smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CC)Cc1cc(Cl)nc(Cl)c1 ZINC000000163067 344581749 /nfs/dbraw/zinc/58/17/49/344581749.db2.gz IXJZCMDCZNOLMW-UHFFFAOYSA-N 0 3 233.142 3.230 20 0 BGADHN CN(Cc1ccccc1)Cc1ccc(O)cc1 ZINC000000278203 387689103 /nfs/dbraw/zinc/68/91/03/387689103.db2.gz DPQLVBISBFCINL-UHFFFAOYSA-N 0 3 227.307 3.024 20 0 BGADHN C/C(Cl)=C/CN[C@@H](C)c1ccccc1 ZINC000000794180 188254415 /nfs/dbraw/zinc/25/44/15/188254415.db2.gz KLLJRHWVXBUIJY-IEHMKBBKSA-N 0 3 209.720 3.480 20 0 BGADHN C/C(Cl)=C/CN[C@H](C)c1ccccc1 ZINC000000794182 188253930 /nfs/dbraw/zinc/25/39/30/188253930.db2.gz KLLJRHWVXBUIJY-HIJJYWJESA-N 0 3 209.720 3.480 20 0 BGADHN c1ccc(SCCN2CCCCC2)cc1 ZINC000001603377 346458852 /nfs/dbraw/zinc/45/88/52/346458852.db2.gz HYNZWDJVGYCNJU-UHFFFAOYSA-N 0 3 221.369 3.265 20 0 BGADHN O=C(CCCN1CCCCC1)c1ccccc1 ZINC000001621775 342706387 /nfs/dbraw/zinc/70/63/87/342706387.db2.gz WLTFPYVGECWXFO-UHFFFAOYSA-N 0 3 231.339 3.135 20 0 BGADHN CCCN1CCc2cc(OC)c(OC)cc2[C@H]1C ZINC000001853915 585031378 /nfs/dbraw/zinc/03/13/78/585031378.db2.gz QUINYXBLBBTXOG-LLVKDONJSA-N 0 3 249.354 3.033 20 0 BGADHN c1ccc(CN2CC(c3ccccc3)C2)cc1 ZINC000002029466 183396276 /nfs/dbraw/zinc/39/62/76/183396276.db2.gz DCZMBHDGZSZFKA-UHFFFAOYSA-N 0 3 223.319 3.286 20 0 BGADHN c1coc(CNCCCc2ccccc2)c1 ZINC000002554118 183391829 /nfs/dbraw/zinc/39/18/29/183391829.db2.gz BDGLUZWDLUQQBU-UHFFFAOYSA-N 0 3 215.296 3.002 20 0 BGADHN C[C@H]1CCCN(CCC(=O)c2ccc(F)cc2)C1 ZINC000003609435 177098166 /nfs/dbraw/zinc/09/81/66/177098166.db2.gz MZXJVYLHWCUWIA-LBPRGKRZSA-N 0 3 249.329 3.130 20 0 BGADHN C[C@@H]1CCCN(CCC(=O)c2ccc(F)cc2)C1 ZINC000003609436 176096308 /nfs/dbraw/zinc/09/63/08/176096308.db2.gz MZXJVYLHWCUWIA-GFCCVEGCSA-N 0 3 249.329 3.130 20 0 BGADHN C[C@H]1CCCCN1CCC(=O)c1ccc(F)cc1 ZINC000003640518 177074830 /nfs/dbraw/zinc/07/48/30/177074830.db2.gz HBUUHOAOIUKUBL-LBPRGKRZSA-N 0 3 249.329 3.273 20 0 BGADHN C[C@@H]1CCCCN1CCC(=O)c1ccc(F)cc1 ZINC000003640520 176071599 /nfs/dbraw/zinc/07/15/99/176071599.db2.gz HBUUHOAOIUKUBL-GFCCVEGCSA-N 0 3 249.329 3.273 20 0 BGADHN Cc1sc([C@H](C)N)nc1-c1ccccc1 ZINC000003708663 346579956 /nfs/dbraw/zinc/57/99/56/346579956.db2.gz XYBHDVOAGLZACE-QMMMGPOBSA-N 0 3 218.325 3.138 20 0 BGADHN Cc1sc([C@H](C)N)nc1-c1ccc(F)cc1 ZINC000003708665 356042528 /nfs/dbraw/zinc/04/25/28/356042528.db2.gz MASQNGLCBHUCCM-ZETCQYMHSA-N 0 3 236.315 3.277 20 0 BGADHN CNCc1nc(-c2ccc(C)cc2C)cs1 ZINC000003710579 173394597 /nfs/dbraw/zinc/39/45/97/173394597.db2.gz JOUHQVDNKAJDSF-UHFFFAOYSA-N 0 3 232.352 3.146 20 0 BGADHN CNCc1nc(-c2cc(C)ccc2C)cs1 ZINC000003710580 173395906 /nfs/dbraw/zinc/39/59/06/173395906.db2.gz ASLPXAHRAPCPQV-UHFFFAOYSA-N 0 3 232.352 3.146 20 0 BGADHN CCc1ccc(-c2csc(CNC)n2)cc1 ZINC000003710595 350119067 /nfs/dbraw/zinc/11/90/67/350119067.db2.gz WQMQMRIBQAFGIO-UHFFFAOYSA-N 0 3 232.352 3.092 20 0 BGADHN CNCc1nc(-c2ccc(C)c(C)c2)cs1 ZINC000003710597 173395725 /nfs/dbraw/zinc/39/57/25/173395725.db2.gz YOMWYVVNLQOBRY-UHFFFAOYSA-N 0 3 232.352 3.146 20 0 BGADHN CNCc1nc(-c2c(C)cc(C)cc2C)cs1 ZINC000003710598 173395715 /nfs/dbraw/zinc/39/57/15/173395715.db2.gz HFRDBIPBCRESQJ-UHFFFAOYSA-N 0 3 246.379 3.455 20 0 BGADHN CNCc1nc(-c2cc(C)c(C)cc2C)cs1 ZINC000003710605 173394902 /nfs/dbraw/zinc/39/49/02/173394902.db2.gz YTWACGHDKCSJJU-UHFFFAOYSA-N 0 3 246.379 3.455 20 0 BGADHN CCCc1ccc(-c2csc(CNC)n2)cc1 ZINC000003710607 350119717 /nfs/dbraw/zinc/11/97/17/350119717.db2.gz OCBHKBCPSITLLG-UHFFFAOYSA-N 0 3 246.379 3.482 20 0 BGADHN C/C(=C\c1ccccc1)CNCc1ccco1 ZINC000005091113 357229801 /nfs/dbraw/zinc/22/98/01/357229801.db2.gz JMFOWXKQDYFBII-JLHYYAGUSA-N 0 3 227.307 3.473 20 0 BGADHN C[C@@H]1CCCCN1CCC(=O)c1ccccc1 ZINC000005662489 176072275 /nfs/dbraw/zinc/07/22/75/176072275.db2.gz ZSRKLHLNEFFHHG-CYBMUJFWSA-N 0 3 231.339 3.134 20 0 BGADHN C/C(=C/c1ccccc1)CNCc1ccco1 ZINC000005685571 349070766 /nfs/dbraw/zinc/07/07/66/349070766.db2.gz JMFOWXKQDYFBII-RAXLEYEMSA-N 0 3 227.307 3.473 20 0 BGADHN C[C@H]1CCCCN1CCC(=O)c1ccccc1 ZINC000005696669 177074672 /nfs/dbraw/zinc/07/46/72/177074672.db2.gz ZSRKLHLNEFFHHG-ZDUSSCGKSA-N 0 3 231.339 3.134 20 0 BGADHN C[C@@H]1CCCCN1CCOc1ccc(F)cc1 ZINC000006183151 350207291 /nfs/dbraw/zinc/20/72/91/350207291.db2.gz VSRSIXPDJDCDTQ-GFCCVEGCSA-N 0 3 237.318 3.079 20 0 BGADHN C[C@H]1CCCCN1CCOc1ccc(F)cc1 ZINC000006183683 350207117 /nfs/dbraw/zinc/20/71/17/350207117.db2.gz VSRSIXPDJDCDTQ-LBPRGKRZSA-N 0 3 237.318 3.079 20 0 BGADHN CCCNCc1cc(Cl)ccc1Cl ZINC000006380478 169266032 /nfs/dbraw/zinc/26/60/32/169266032.db2.gz DAAGYFHHIDHSAW-UHFFFAOYSA-N 0 3 218.127 3.493 20 0 BGADHN Fc1ccc(/C=C/CN2CCCCC2)cc1 ZINC000006535140 356693231 /nfs/dbraw/zinc/69/32/31/356693231.db2.gz GHRFINYFACFZPX-SNAWJCMRSA-N 0 3 219.303 3.325 20 0 BGADHN COc1ccc(CN2CCCCCC2)c(OC)c1 ZINC000009224980 256582732 /nfs/dbraw/zinc/58/27/32/256582732.db2.gz GXBIKPKUKOOBFL-UHFFFAOYSA-N 0 3 249.354 3.080 20 0 BGADHN c1[nH]nc(-c2ccccc2)c1CN1CCCCC1 ZINC000010003025 183378637 /nfs/dbraw/zinc/37/86/37/183378637.db2.gz MNVKWPNJQAKYNF-UHFFFAOYSA-N 0 3 241.338 3.063 20 0 BGADHN Clc1cc(CN2CCCC2)c2ccccc2n1 ZINC000011568634 645543588 /nfs/dbraw/zinc/54/35/88/645543588.db2.gz WFHKOWMJJYEWGZ-UHFFFAOYSA-N 0 3 246.741 3.484 20 0 BGADHN COc1ccc(-c2nc([C@H](C)N)sc2C)cc1 ZINC000011887071 175039697 /nfs/dbraw/zinc/03/96/97/175039697.db2.gz SISQJEDAYBFHGO-QMMMGPOBSA-N 0 3 248.351 3.147 20 0 BGADHN NCc1ccccc1OCCCc1ccccc1 ZINC000011890800 387040779 /nfs/dbraw/zinc/04/07/79/387040779.db2.gz XFAZKQHZKSYBPX-UHFFFAOYSA-N 0 3 241.334 3.157 20 0 BGADHN CC(C)c1cccc(C(C)C)c1NC(=O)[C@H](C)N ZINC000011957870 342845131 /nfs/dbraw/zinc/84/51/31/342845131.db2.gz SQTBOBXCXCGIFV-NSHDSACASA-N 0 3 248.370 3.219 20 0 BGADHN Cc1cccc(C(C)C)c1NC(=O)[C@@H](N)C(C)C ZINC000011958981 384305120 /nfs/dbraw/zinc/30/51/20/384305120.db2.gz WQKSKFNHSOHHTR-ZDUSSCGKSA-N 0 3 248.370 3.040 20 0 BGADHN CC[C@@H](C)[C@H](N)C(=O)Nc1ccc(C(C)C)cc1 ZINC000011959756 342845413 /nfs/dbraw/zinc/84/54/13/342845413.db2.gz WEVBXZUBVREAQP-RISCZKNCSA-N 0 3 248.370 3.122 20 0 BGADHN CC[C@H](C)[C@H](N)C(=O)Nc1ccc(C(C)C)cc1 ZINC000011959763 171396801 /nfs/dbraw/zinc/39/68/01/171396801.db2.gz WEVBXZUBVREAQP-FZMZJTMJSA-N 0 3 248.370 3.122 20 0 BGADHN CC(C)C[C@H](N)C(=O)Nc1ccc(C(C)C)cc1 ZINC000011961138 342845439 /nfs/dbraw/zinc/84/54/39/342845439.db2.gz ZSVMRZPKDJZMTM-AWEZNQCLSA-N 0 3 248.370 3.122 20 0 BGADHN c1ccc2c(CNC3CCCCC3)noc2c1 ZINC000013346169 367932038 /nfs/dbraw/zinc/93/20/38/367932038.db2.gz CVEAZWVUICOTJB-UHFFFAOYSA-N 0 3 230.311 3.250 20 0 BGADHN CC1CCN(Cc2cccc(F)c2)CC1 ZINC000014193586 168184601 /nfs/dbraw/zinc/18/46/01/168184601.db2.gz LICCNQICHGDKSW-UHFFFAOYSA-N 0 3 207.292 3.058 20 0 BGADHN C[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC000014193639 176101083 /nfs/dbraw/zinc/10/10/83/176101083.db2.gz MGLCHUBLFRIFJB-LLVKDONJSA-N 0 3 207.292 3.058 20 0 BGADHN C[C@H]1CCCN(Cc2ccccc2F)C1 ZINC000014193640 177102249 /nfs/dbraw/zinc/10/22/49/177102249.db2.gz MGLCHUBLFRIFJB-NSHDSACASA-N 0 3 207.292 3.058 20 0 BGADHN C[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000014193653 176101804 /nfs/dbraw/zinc/10/18/04/176101804.db2.gz GLVQQGVQWOLXAQ-LLVKDONJSA-N 0 3 207.292 3.058 20 0 BGADHN C[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000014193654 177101504 /nfs/dbraw/zinc/10/15/04/177101504.db2.gz GLVQQGVQWOLXAQ-NSHDSACASA-N 0 3 207.292 3.058 20 0 BGADHN C[C@@H]1CCCCN1Cc1ccccc1F ZINC000014193778 176073420 /nfs/dbraw/zinc/07/34/20/176073420.db2.gz HPANAPLGECNCSK-LLVKDONJSA-N 0 3 207.292 3.200 20 0 BGADHN C[C@H]1CCCCN1Cc1ccccc1F ZINC000014193779 177076764 /nfs/dbraw/zinc/07/67/64/177076764.db2.gz HPANAPLGECNCSK-NSHDSACASA-N 0 3 207.292 3.200 20 0 BGADHN C[C@@H]1CCCCN1Cc1cccc(F)c1 ZINC000014193790 176074001 /nfs/dbraw/zinc/07/40/01/176074001.db2.gz JAAJFAOVIPHFOB-LLVKDONJSA-N 0 3 207.292 3.200 20 0 BGADHN C[C@H]1CCCCN1Cc1cccc(F)c1 ZINC000014193791 177077368 /nfs/dbraw/zinc/07/73/68/177077368.db2.gz JAAJFAOVIPHFOB-NSHDSACASA-N 0 3 207.292 3.200 20 0 BGADHN C[C@@H]1C[C@@H](C)CN(Cc2ccccc2F)C1 ZINC000014194340 386584528 /nfs/dbraw/zinc/58/45/28/386584528.db2.gz LOJZVPHTEBXRIM-VXGBXAGGSA-N 0 3 221.319 3.304 20 0 BGADHN C[C@@H]1C[C@H](C)CN(Cc2ccccc2F)C1 ZINC000014194342 386583825 /nfs/dbraw/zinc/58/38/25/386583825.db2.gz LOJZVPHTEBXRIM-TXEJJXNPSA-N 0 3 221.319 3.304 20 0 BGADHN C[C@H]1C[C@H](C)CN(Cc2ccccc2F)C1 ZINC000014194343 386585549 /nfs/dbraw/zinc/58/55/49/386585549.db2.gz LOJZVPHTEBXRIM-RYUDHWBXSA-N 0 3 221.319 3.304 20 0 BGADHN CN(Cc1cn2ccccc2n1)C1CCCCC1 ZINC000014217969 342878160 /nfs/dbraw/zinc/87/81/60/342878160.db2.gz COBJHZNQGYEFCA-UHFFFAOYSA-N 0 3 243.354 3.099 20 0 BGADHN CN(Cc1ccc(Cl)nc1)C1CCCCC1 ZINC000019275780 385185539 /nfs/dbraw/zinc/18/55/39/385185539.db2.gz FKPIMCPMRQKISA-UHFFFAOYSA-N 0 3 238.762 3.500 20 0 BGADHN CCCCN(CC)Cc1ccc(Cl)nc1 ZINC000019280872 385185439 /nfs/dbraw/zinc/18/54/39/385185439.db2.gz PIJNHZGIXDYMFQ-UHFFFAOYSA-N 0 3 226.751 3.357 20 0 BGADHN CC(C)NCc1ccc(F)cc1Br ZINC000019280952 167119083 /nfs/dbraw/zinc/11/90/83/167119083.db2.gz VDRXBGPPKAXIGE-UHFFFAOYSA-N 0 3 246.123 3.086 20 0 BGADHN CCCN(CCC)Cc1ccc(Cl)nc1 ZINC000019391365 169148612 /nfs/dbraw/zinc/14/86/12/169148612.db2.gz FFOKMUDYDZPHGE-UHFFFAOYSA-N 0 3 226.751 3.357 20 0 BGADHN CC(C)NCc1cc(F)ccc1Br ZINC000019406646 167117537 /nfs/dbraw/zinc/11/75/37/167117537.db2.gz QLDWAIWPZRZTOR-UHFFFAOYSA-N 0 3 246.123 3.086 20 0 BGADHN CCNC1c2ccccc2-c2ccccc21 ZINC000019430022 170109677 /nfs/dbraw/zinc/10/96/77/170109677.db2.gz JNDAZNDZSRNXON-UHFFFAOYSA-N 0 3 209.292 3.366 20 0 BGADHN CCCN[C@@H](C)c1nc2ccccc2s1 ZINC000019434158 169276885 /nfs/dbraw/zinc/27/68/85/169276885.db2.gz KLRRGWMYMOBESF-VIFPVBQESA-N 0 3 220.341 3.357 20 0 BGADHN CCCN[C@H](C)c1nc2ccccc2s1 ZINC000019434161 169288555 /nfs/dbraw/zinc/28/85/55/169288555.db2.gz KLRRGWMYMOBESF-SECBINFHSA-N 0 3 220.341 3.357 20 0 BGADHN CCCN[C@@H](c1ccccc1)c1ccccn1 ZINC000019436202 169280467 /nfs/dbraw/zinc/28/04/67/169280467.db2.gz KUMWAPWZRQHWQZ-HNNXBMFYSA-N 0 3 226.323 3.171 20 0 BGADHN CCCN[C@H](c1ccccc1)c1ccccn1 ZINC000019436204 169291163 /nfs/dbraw/zinc/29/11/63/169291163.db2.gz KUMWAPWZRQHWQZ-OAHLLOKOSA-N 0 3 226.323 3.171 20 0 BGADHN CC(C)C[C@@H](N)C(=O)Nc1ccc(C(C)C)cc1 ZINC000019470591 387913384 /nfs/dbraw/zinc/91/33/84/387913384.db2.gz ZSVMRZPKDJZMTM-CQSZACIVSA-N 0 3 248.370 3.122 20 0 BGADHN CC[C@@H](C)[C@@H](N)C(=O)Nc1ccc(C(C)C)cc1 ZINC000019476133 356483442 /nfs/dbraw/zinc/48/34/42/356483442.db2.gz WEVBXZUBVREAQP-BXUZGUMPSA-N 0 3 248.370 3.122 20 0 BGADHN CC[C@H](C)[C@@H](N)C(=O)Nc1ccc(C(C)C)cc1 ZINC000019476134 171372513 /nfs/dbraw/zinc/37/25/13/171372513.db2.gz WEVBXZUBVREAQP-SMDDNHRTSA-N 0 3 248.370 3.122 20 0 BGADHN CCN[C@@H](C)c1ccccc1Br ZINC000019506676 170142017 /nfs/dbraw/zinc/14/20/17/170142017.db2.gz HESSXRIRBULMIZ-QMMMGPOBSA-N 0 3 228.133 3.120 20 0 BGADHN CCN[C@H](C)c1ccccc1Br ZINC000019506678 170159704 /nfs/dbraw/zinc/15/97/04/170159704.db2.gz HESSXRIRBULMIZ-MRVPVSSYSA-N 0 3 228.133 3.120 20 0 BGADHN CC(C)c1ccc(NC2CCN(C)CC2)cc1 ZINC000019772330 351936206 /nfs/dbraw/zinc/93/62/06/351936206.db2.gz FUERRHFSWARHAQ-UHFFFAOYSA-N 0 3 232.371 3.316 20 0 BGADHN NCc1ccccc1OCC1CCCCC1 ZINC000019805222 188281937 /nfs/dbraw/zinc/28/19/37/188281937.db2.gz HVAYQGHLKLBVTI-UHFFFAOYSA-N 0 3 219.328 3.104 20 0 BGADHN CCCNCc1ccccc1OC(F)(F)F ZINC000019807373 169267939 /nfs/dbraw/zinc/26/79/39/169267939.db2.gz ZMPMUNCEWJLEKR-UHFFFAOYSA-N 0 3 233.233 3.085 20 0 BGADHN Cc1ccc(Cl)cc1NC1CCN(C)CC1 ZINC000019875262 384548893 /nfs/dbraw/zinc/54/88/93/384548893.db2.gz HHCLLSVBWPJEFN-UHFFFAOYSA-N 0 3 238.762 3.155 20 0 BGADHN C[C@@H](NCc1ccc(O)cc1)c1ccccc1 ZINC000019878023 538929199 /nfs/dbraw/zinc/92/91/99/538929199.db2.gz NBVIBKHMVOGMDC-GFCCVEGCSA-N 0 3 227.307 3.243 20 0 BGADHN C[C@H](NCc1ccc(O)cc1)c1ccccc1 ZINC000019878026 538929098 /nfs/dbraw/zinc/92/90/98/538929098.db2.gz NBVIBKHMVOGMDC-LBPRGKRZSA-N 0 3 227.307 3.243 20 0 BGADHN C[C@@H](N[C@@H](C)c1ccncc1)c1ccccc1 ZINC000019878279 342960947 /nfs/dbraw/zinc/96/09/47/342960947.db2.gz VOBADFCFYYGHID-OLZOCXBDSA-N 0 3 226.323 3.493 20 0 BGADHN C[C@H](N[C@@H](C)c1ccncc1)c1ccccc1 ZINC000019878281 384548384 /nfs/dbraw/zinc/54/83/84/384548384.db2.gz VOBADFCFYYGHID-STQMWFEESA-N 0 3 226.323 3.493 20 0 BGADHN C[C@@H](N[C@H](C)c1ccncc1)c1ccccc1 ZINC000019878283 342960796 /nfs/dbraw/zinc/96/07/96/342960796.db2.gz VOBADFCFYYGHID-CHWSQXEVSA-N 0 3 226.323 3.493 20 0 BGADHN C[C@@H](N[C@@H](C)c1ccccc1)c1ccncc1 ZINC000019878285 342960975 /nfs/dbraw/zinc/96/09/75/342960975.db2.gz VOBADFCFYYGHID-QWHCGFSZSA-N 0 3 226.323 3.493 20 0 BGADHN C[C@@H](N[C@@H](C)c1cccnc1)c1ccccc1 ZINC000019878287 342960773 /nfs/dbraw/zinc/96/07/73/342960773.db2.gz YYJGAXQYFPKFCG-OLZOCXBDSA-N 0 3 226.323 3.493 20 0 BGADHN C[C@H](N[C@@H](C)c1cccnc1)c1ccccc1 ZINC000019878288 384547924 /nfs/dbraw/zinc/54/79/24/384547924.db2.gz YYJGAXQYFPKFCG-STQMWFEESA-N 0 3 226.323 3.493 20 0 BGADHN C[C@@H](N[C@H](C)c1cccnc1)c1ccccc1 ZINC000019878290 342960890 /nfs/dbraw/zinc/96/08/90/342960890.db2.gz YYJGAXQYFPKFCG-CHWSQXEVSA-N 0 3 226.323 3.493 20 0 BGADHN C[C@@H](N[C@@H](C)c1ccccc1)c1cccnc1 ZINC000019878291 342960812 /nfs/dbraw/zinc/96/08/12/342960812.db2.gz YYJGAXQYFPKFCG-QWHCGFSZSA-N 0 3 226.323 3.493 20 0 BGADHN C[C@@H](NCc1cccc(O)c1)c1ccccc1 ZINC000019878701 356990389 /nfs/dbraw/zinc/99/03/89/356990389.db2.gz KKTOYAIRKJSDSD-GFCCVEGCSA-N 0 3 227.307 3.243 20 0 BGADHN C[C@H](NCc1cccc(O)c1)c1ccccc1 ZINC000019878702 387061514 /nfs/dbraw/zinc/06/15/14/387061514.db2.gz KKTOYAIRKJSDSD-LBPRGKRZSA-N 0 3 227.307 3.243 20 0 BGADHN Fc1ccc(CNC2CCCCC2)c(F)c1 ZINC000019878849 347303505 /nfs/dbraw/zinc/30/35/05/347303505.db2.gz DZPLSRVSFKQTOA-UHFFFAOYSA-N 0 3 225.282 3.387 20 0 BGADHN Fc1cccc(F)c1CNC1CCCCC1 ZINC000019878864 181000248 /nfs/dbraw/zinc/00/02/48/181000248.db2.gz SBFFKMJISAWDPH-UHFFFAOYSA-N 0 3 225.282 3.387 20 0 BGADHN CCC(C)(C)NCc1ccc(Br)o1 ZINC000019879766 168299842 /nfs/dbraw/zinc/29/98/42/168299842.db2.gz CNDYHKRPQAXEBS-UHFFFAOYSA-N 0 3 246.148 3.320 20 0 BGADHN CC(C)NCc1ccccc1OC(F)(F)F ZINC000019880459 167121194 /nfs/dbraw/zinc/12/11/94/167121194.db2.gz IIYCQPPYUYMSCH-UHFFFAOYSA-N 0 3 233.233 3.083 20 0 BGADHN CC(C)N[C@@H](c1ccccc1)c1ccccn1 ZINC000019880531 167135383 /nfs/dbraw/zinc/13/53/83/167135383.db2.gz ALDOXEKMMYZRJY-HNNXBMFYSA-N 0 3 226.323 3.169 20 0 BGADHN CC(C)N[C@H](c1ccccc1)c1ccccn1 ZINC000019880532 167139977 /nfs/dbraw/zinc/13/99/77/167139977.db2.gz ALDOXEKMMYZRJY-OAHLLOKOSA-N 0 3 226.323 3.169 20 0 BGADHN CC(C)N[C@@H](C)c1ccccc1OC(F)F ZINC000019880689 167132434 /nfs/dbraw/zinc/13/24/34/167132434.db2.gz TYSWKBBMJURGMQ-VIFPVBQESA-N 0 3 229.270 3.347 20 0 BGADHN CC(C)N[C@H](C)c1ccccc1OC(F)F ZINC000019880693 167138570 /nfs/dbraw/zinc/13/85/70/167138570.db2.gz TYSWKBBMJURGMQ-SECBINFHSA-N 0 3 229.270 3.347 20 0 BGADHN CC(C)N[C@H](c1ccco1)c1ccccc1 ZINC000019880896 167134750 /nfs/dbraw/zinc/13/47/50/167134750.db2.gz DEOVCBMKNZVEHR-AWEZNQCLSA-N 0 3 215.296 3.367 20 0 BGADHN CC(C)N[C@@H](c1ccco1)c1ccccc1 ZINC000019880898 167139892 /nfs/dbraw/zinc/13/98/92/167139892.db2.gz DEOVCBMKNZVEHR-CQSZACIVSA-N 0 3 215.296 3.367 20 0 BGADHN CC(C)N[C@@H](C)c1nc2ccccc2s1 ZINC000019880900 167132013 /nfs/dbraw/zinc/13/20/13/167132013.db2.gz QTIABNMLWBLHAJ-VIFPVBQESA-N 0 3 220.341 3.355 20 0 BGADHN CC(C)N[C@H](C)c1nc2ccccc2s1 ZINC000019880901 167138655 /nfs/dbraw/zinc/13/86/55/167138655.db2.gz QTIABNMLWBLHAJ-SECBINFHSA-N 0 3 220.341 3.355 20 0 BGADHN COCCN[C@@H](C)c1ccccc1C(F)(F)F ZINC000019881355 174338389 /nfs/dbraw/zinc/33/83/89/174338389.db2.gz VXLXXHQZDDLDKL-VIFPVBQESA-N 0 3 247.260 3.002 20 0 BGADHN COCCN[C@H](C)c1ccccc1C(F)(F)F ZINC000019881357 174340187 /nfs/dbraw/zinc/34/01/87/174340187.db2.gz VXLXXHQZDDLDKL-SECBINFHSA-N 0 3 247.260 3.002 20 0 BGADHN COCCN[C@@H](C)c1ccc2ccccc2c1 ZINC000019881384 174338521 /nfs/dbraw/zinc/33/85/21/174338521.db2.gz UPIAERPPBUSIQR-LBPRGKRZSA-N 0 3 229.323 3.137 20 0 BGADHN COCCN[C@H](C)c1ccc2ccccc2c1 ZINC000019881386 174340128 /nfs/dbraw/zinc/34/01/28/174340128.db2.gz UPIAERPPBUSIQR-GFCCVEGCSA-N 0 3 229.323 3.137 20 0 BGADHN CC[C@@H](NCCOC)c1ccc(Cl)cc1 ZINC000019881472 411067925 /nfs/dbraw/zinc/06/79/25/411067925.db2.gz CVLVAUQVTIUQCS-GFCCVEGCSA-N 0 3 227.735 3.027 20 0 BGADHN CC[C@H](NCCOC)c1ccc(Cl)cc1 ZINC000019881474 347375102 /nfs/dbraw/zinc/37/51/02/347375102.db2.gz CVLVAUQVTIUQCS-LBPRGKRZSA-N 0 3 227.735 3.027 20 0 BGADHN COCCN[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000019881512 174338152 /nfs/dbraw/zinc/33/81/52/174338152.db2.gz AWZQDTFEAKCBSW-LBPRGKRZSA-N 0 3 235.371 3.281 20 0 BGADHN COCCN[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000019881514 174340106 /nfs/dbraw/zinc/34/01/06/174340106.db2.gz AWZQDTFEAKCBSW-GFCCVEGCSA-N 0 3 235.371 3.281 20 0 BGADHN COCCN[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000019881571 174338462 /nfs/dbraw/zinc/33/84/62/174338462.db2.gz XNACHDYKFRMSRV-ZDUSSCGKSA-N 0 3 235.371 3.182 20 0 BGADHN COCCN[C@H](C)c1ccc(CC(C)C)cc1 ZINC000019881573 174340210 /nfs/dbraw/zinc/34/02/10/174340210.db2.gz XNACHDYKFRMSRV-CYBMUJFWSA-N 0 3 235.371 3.182 20 0 BGADHN CCc1c2ccccc2oc1[C@@H](C)NCCOC ZINC000019881642 350816615 /nfs/dbraw/zinc/81/66/15/350816615.db2.gz QIWAQHNRQYGQFB-LLVKDONJSA-N 0 3 247.338 3.292 20 0 BGADHN CCc1c2ccccc2oc1[C@H](C)NCCOC ZINC000019881644 350816642 /nfs/dbraw/zinc/81/66/42/350816642.db2.gz QIWAQHNRQYGQFB-NSHDSACASA-N 0 3 247.338 3.292 20 0 BGADHN COCCNC(c1ccccc1)c1ccccc1 ZINC000019881716 174329865 /nfs/dbraw/zinc/32/98/65/174329865.db2.gz KAAIDDHGMKTVSK-UHFFFAOYSA-N 0 3 241.334 3.012 20 0 BGADHN COCCN[C@@H](C)c1ccc(C(C)C)cc1 ZINC000019881748 174338497 /nfs/dbraw/zinc/33/84/97/174338497.db2.gz DFPQUQBDOFFMCJ-LBPRGKRZSA-N 0 3 221.344 3.107 20 0 BGADHN COCCN[C@H](C)c1ccc(C(C)C)cc1 ZINC000019881751 174339981 /nfs/dbraw/zinc/33/99/81/174339981.db2.gz DFPQUQBDOFFMCJ-GFCCVEGCSA-N 0 3 221.344 3.107 20 0 BGADHN COCCN[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000019881767 174337892 /nfs/dbraw/zinc/33/78/92/174337892.db2.gz RQEYSHRTCWWOCT-QMMMGPOBSA-N 0 3 248.153 3.290 20 0 BGADHN COCCN[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000019881769 174340007 /nfs/dbraw/zinc/34/00/07/174340007.db2.gz RQEYSHRTCWWOCT-MRVPVSSYSA-N 0 3 248.153 3.290 20 0 BGADHN COCCN[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000019881771 174338524 /nfs/dbraw/zinc/33/85/24/174338524.db2.gz JNEUFFNCOBWXRT-VIFPVBQESA-N 0 3 247.260 3.002 20 0 BGADHN COCCN[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000019881774 174339682 /nfs/dbraw/zinc/33/96/82/174339682.db2.gz JNEUFFNCOBWXRT-SECBINFHSA-N 0 3 247.260 3.002 20 0 BGADHN CC[C@H](C)NCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000019881957 171342958 /nfs/dbraw/zinc/34/29/58/171342958.db2.gz YCPLIJAOQLZMCS-JBLDHEPKSA-N 0 3 207.317 3.291 20 0 BGADHN CC[C@H](C)NCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000019881960 171343446 /nfs/dbraw/zinc/34/34/46/171343446.db2.gz YCPLIJAOQLZMCS-NHCYSSNCSA-N 0 3 207.317 3.291 20 0 BGADHN CC[C@@H](C)N[C@@H](C)c1c(F)cccc1F ZINC000019882121 347375394 /nfs/dbraw/zinc/37/53/94/347375394.db2.gz GGWXUKQHRJTYKX-BDAKNGLRSA-N 0 3 213.271 3.414 20 0 BGADHN CC[C@H](C)N[C@@H](C)c1c(F)cccc1F ZINC000019882123 171345718 /nfs/dbraw/zinc/34/57/18/171345718.db2.gz GGWXUKQHRJTYKX-IUCAKERBSA-N 0 3 213.271 3.414 20 0 BGADHN CC[C@@H](C)N[C@H](C)c1c(F)cccc1F ZINC000019882125 347375645 /nfs/dbraw/zinc/37/56/45/347375645.db2.gz GGWXUKQHRJTYKX-RKDXNWHRSA-N 0 3 213.271 3.414 20 0 BGADHN CC[C@H](C)N[C@H](C)c1c(F)cccc1F ZINC000019882128 171348000 /nfs/dbraw/zinc/34/80/00/171348000.db2.gz GGWXUKQHRJTYKX-DTWKUNHWSA-N 0 3 213.271 3.414 20 0 BGADHN CC[C@@H](C)N[C@@H](C)c1nc2ccccc2n1C ZINC000019882684 356991797 /nfs/dbraw/zinc/99/17/97/356991797.db2.gz BSXDQJVAGGQTSN-MNOVXSKESA-N 0 3 231.343 3.022 20 0 BGADHN CC[C@H](C)N[C@@H](C)c1nc2ccccc2n1C ZINC000019882687 171346542 /nfs/dbraw/zinc/34/65/42/171346542.db2.gz BSXDQJVAGGQTSN-QWRGUYRKSA-N 0 3 231.343 3.022 20 0 BGADHN CC[C@@H](C)N[C@H](C)c1nc2ccccc2n1C ZINC000019882688 350822480 /nfs/dbraw/zinc/82/24/80/350822480.db2.gz BSXDQJVAGGQTSN-GHMZBOCLSA-N 0 3 231.343 3.022 20 0 BGADHN CC[C@H](C)N[C@H](C)c1nc2ccccc2n1C ZINC000019882690 171347967 /nfs/dbraw/zinc/34/79/67/171347967.db2.gz BSXDQJVAGGQTSN-WDEREUQCSA-N 0 3 231.343 3.022 20 0 BGADHN CC(C)CNCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000019882978 167009782 /nfs/dbraw/zinc/00/97/82/167009782.db2.gz UOVVVVZFWKCHMH-CMPLNLGQSA-N 0 3 207.317 3.149 20 0 BGADHN CC(C)CNCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000019882979 167009993 /nfs/dbraw/zinc/00/99/93/167009993.db2.gz UOVVVVZFWKCHMH-JQWIXIFHSA-N 0 3 207.317 3.149 20 0 BGADHN CC(C)CNCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000019882980 167009390 /nfs/dbraw/zinc/00/93/90/167009390.db2.gz UOVVVVZFWKCHMH-ZYHUDNBSSA-N 0 3 207.317 3.149 20 0 BGADHN CC(C)CNCc1ccc([C@H]2C[C@H]2C)o1 ZINC000019882982 167009997 /nfs/dbraw/zinc/00/99/97/167009997.db2.gz UOVVVVZFWKCHMH-PWSUYJOCSA-N 0 3 207.317 3.149 20 0 BGADHN CC(C)CN[C@@H](c1ccccc1)c1ccccn1 ZINC000019883032 167011732 /nfs/dbraw/zinc/01/17/32/167011732.db2.gz KYHUBJVHUCLHKA-INIZCTEOSA-N 0 3 240.350 3.417 20 0 BGADHN CC(C)CN[C@H](c1ccccc1)c1ccccn1 ZINC000019883033 167014198 /nfs/dbraw/zinc/01/41/98/167014198.db2.gz KYHUBJVHUCLHKA-MRXNPFEDSA-N 0 3 240.350 3.417 20 0 BGADHN CC(C)CN[C@@H](C)c1c(F)cccc1F ZINC000019883042 187314581 /nfs/dbraw/zinc/31/45/81/187314581.db2.gz IVLKHDOTHARLHL-VIFPVBQESA-N 0 3 213.271 3.271 20 0 BGADHN CC(C)CN[C@H](C)c1c(F)cccc1F ZINC000019883043 167013417 /nfs/dbraw/zinc/01/34/17/167013417.db2.gz IVLKHDOTHARLHL-SECBINFHSA-N 0 3 213.271 3.271 20 0 BGADHN CC(C)CN[C@@H](C)c1cc(F)ccc1F ZINC000019883203 188192310 /nfs/dbraw/zinc/19/23/10/188192310.db2.gz LPXFGCJXJFKUJW-VIFPVBQESA-N 0 3 213.271 3.271 20 0 BGADHN CC(C)CN[C@H](C)c1cc(F)ccc1F ZINC000019883205 167013249 /nfs/dbraw/zinc/01/32/49/167013249.db2.gz LPXFGCJXJFKUJW-SECBINFHSA-N 0 3 213.271 3.271 20 0 BGADHN Brc1ccc(CNC2CCCC2)o1 ZINC000019883362 166097994 /nfs/dbraw/zinc/09/79/94/166097994.db2.gz FOAMGTGPMLHBPA-UHFFFAOYSA-N 0 3 244.132 3.074 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CNC2CCCC2)o1 ZINC000019883368 590032350 /nfs/dbraw/zinc/03/23/50/590032350.db2.gz DDUKOMICUSVGCO-MFKMUULPSA-N 0 3 219.328 3.435 20 0 BGADHN C[C@H]1C[C@@H]1c1ccc(CNC2CCCC2)o1 ZINC000019883369 177351705 /nfs/dbraw/zinc/35/17/05/177351705.db2.gz DDUKOMICUSVGCO-GWCFXTLKSA-N 0 3 219.328 3.435 20 0 BGADHN C[C@@H]1C[C@H]1c1ccc(CNC2CCCC2)o1 ZINC000019883371 590032319 /nfs/dbraw/zinc/03/23/19/590032319.db2.gz DDUKOMICUSVGCO-ZWNOBZJWSA-N 0 3 219.328 3.435 20 0 BGADHN C[C@H]1C[C@H]1c1ccc(CNC2CCCC2)o1 ZINC000019883373 187883873 /nfs/dbraw/zinc/88/38/73/187883873.db2.gz DDUKOMICUSVGCO-GXFFZTMASA-N 0 3 219.328 3.435 20 0 BGADHN CCC(CC)NCc1c(F)cccc1F ZINC000019883745 168388463 /nfs/dbraw/zinc/38/84/63/168388463.db2.gz JXQLEAZDWCKTGV-UHFFFAOYSA-N 0 3 213.271 3.243 20 0 BGADHN CCC(CC)NCc1ccc(Br)o1 ZINC000019883798 168389267 /nfs/dbraw/zinc/38/92/67/168389267.db2.gz LCFOEKAKCPXEGY-UHFFFAOYSA-N 0 3 246.148 3.320 20 0 BGADHN CCC(CC)N[C@@H](C)c1nc2ccccc2n1C ZINC000019884018 168391868 /nfs/dbraw/zinc/39/18/68/168391868.db2.gz OGLOFETXPCBKBB-NSHDSACASA-N 0 3 245.370 3.413 20 0 BGADHN CCC(CC)N[C@H](C)c1nc2ccccc2n1C ZINC000019884019 168392356 /nfs/dbraw/zinc/39/23/56/168392356.db2.gz OGLOFETXPCBKBB-LLVKDONJSA-N 0 3 245.370 3.413 20 0 BGADHN Clc1ccc(CNCC2CC2)c(Cl)c1 ZINC000019884704 342961135 /nfs/dbraw/zinc/96/11/35/342961135.db2.gz TXUUKXDARQRXIW-UHFFFAOYSA-N 0 3 230.138 3.493 20 0 BGADHN C[C@@H](NCC1CC1)c1ccccc1Cl ZINC000019884771 411067344 /nfs/dbraw/zinc/06/73/44/411067344.db2.gz RVMPBCQDHPJSOQ-SECBINFHSA-N 0 3 209.720 3.401 20 0 BGADHN C[C@H](NCC1CC1)c1ccccc1Cl ZINC000019884772 411067467 /nfs/dbraw/zinc/06/74/67/411067467.db2.gz RVMPBCQDHPJSOQ-VIFPVBQESA-N 0 3 209.720 3.401 20 0 BGADHN c1ccc([C@H](NCC2CC2)c2ccccn2)cc1 ZINC000019884782 386593479 /nfs/dbraw/zinc/59/34/79/386593479.db2.gz RYZUMGWPUDSGGI-INIZCTEOSA-N 0 3 238.334 3.171 20 0 BGADHN c1ccc([C@@H](NCC2CC2)c2ccccn2)cc1 ZINC000019884784 386594853 /nfs/dbraw/zinc/59/48/53/386594853.db2.gz RYZUMGWPUDSGGI-MRXNPFEDSA-N 0 3 238.334 3.171 20 0 BGADHN C[C@@H](NCC1CC1)c1c(F)cccc1F ZINC000019884795 411066643 /nfs/dbraw/zinc/06/66/43/411066643.db2.gz UJUJLPAIUSWZBL-MRVPVSSYSA-N 0 3 211.255 3.025 20 0 BGADHN C[C@H](NCC1CC1)c1c(F)cccc1F ZINC000019884796 411066930 /nfs/dbraw/zinc/06/69/30/411066930.db2.gz UJUJLPAIUSWZBL-QMMMGPOBSA-N 0 3 211.255 3.025 20 0 BGADHN C[C@@H](NCC1CC1)c1ccc(F)cc1F ZINC000019884956 384552671 /nfs/dbraw/zinc/55/26/71/384552671.db2.gz IYPANJBNFWJCLD-MRVPVSSYSA-N 0 3 211.255 3.025 20 0 BGADHN C[C@H](NCC1CC1)c1ccc(F)cc1F ZINC000019884957 384552990 /nfs/dbraw/zinc/55/29/90/384552990.db2.gz IYPANJBNFWJCLD-QMMMGPOBSA-N 0 3 211.255 3.025 20 0 BGADHN C[C@@H](NCC1CC1)c1cc(F)ccc1F ZINC000019884992 411066558 /nfs/dbraw/zinc/06/65/58/411066558.db2.gz IYIKPWBPXKYRBZ-MRVPVSSYSA-N 0 3 211.255 3.025 20 0 BGADHN C[C@H](NCC1CC1)c1cc(F)ccc1F ZINC000019884993 397894503 /nfs/dbraw/zinc/89/45/03/397894503.db2.gz IYIKPWBPXKYRBZ-QMMMGPOBSA-N 0 3 211.255 3.025 20 0 BGADHN c1coc([C@@H](NCC2CC2)c2ccccc2)c1 ZINC000019884997 384553650 /nfs/dbraw/zinc/55/36/50/384553650.db2.gz PRFFMLYRCNJOIH-HNNXBMFYSA-N 0 3 227.307 3.369 20 0 BGADHN c1coc([C@H](NCC2CC2)c2ccccc2)c1 ZINC000019884999 384553710 /nfs/dbraw/zinc/55/37/10/384553710.db2.gz PRFFMLYRCNJOIH-OAHLLOKOSA-N 0 3 227.307 3.369 20 0 BGADHN C[C@@H](NCC1CC1)c1nc2ccccc2s1 ZINC000019885001 590033213 /nfs/dbraw/zinc/03/32/13/590033213.db2.gz TVDAOIMSGCPLIS-SECBINFHSA-N 0 3 232.352 3.357 20 0 BGADHN C[C@H](NCC1CC1)c1nc2ccccc2s1 ZINC000019885003 590033047 /nfs/dbraw/zinc/03/30/47/590033047.db2.gz TVDAOIMSGCPLIS-VIFPVBQESA-N 0 3 232.352 3.357 20 0 BGADHN Clc1cccc(Cl)c1CNCC1CC1 ZINC000019885057 342961473 /nfs/dbraw/zinc/96/14/73/342961473.db2.gz NWHMFORNSHKCBK-UHFFFAOYSA-N 0 3 230.138 3.493 20 0 BGADHN Clc1cccc(CNCC2CC2)c1Cl ZINC000019885113 342961532 /nfs/dbraw/zinc/96/15/32/342961532.db2.gz JNTXGFIBTGPMFD-UHFFFAOYSA-N 0 3 230.138 3.493 20 0 BGADHN Fc1ccc(CNCc2ccccc2)cc1F ZINC000019886008 356990246 /nfs/dbraw/zinc/99/02/46/356990246.db2.gz JNEWVTQKZFXOCX-UHFFFAOYSA-N 0 3 233.261 3.255 20 0 BGADHN c1ccc(CN[C@@H]2CCc3ccccc32)cc1 ZINC000019899517 183404839 /nfs/dbraw/zinc/40/48/39/183404839.db2.gz PCOXFQPFGPYUBK-MRXNPFEDSA-N 0 3 223.319 3.464 20 0 BGADHN C[C@@H](NCc1ccccc1)c1cccc(O)c1 ZINC000019899569 350829138 /nfs/dbraw/zinc/82/91/38/350829138.db2.gz XFQOLHRJVQJHPJ-GFCCVEGCSA-N 0 3 227.307 3.243 20 0 BGADHN C[C@H](NCc1ccccc1)c1cccc(O)c1 ZINC000019899570 386607932 /nfs/dbraw/zinc/60/79/32/386607932.db2.gz XFQOLHRJVQJHPJ-LBPRGKRZSA-N 0 3 227.307 3.243 20 0 BGADHN Cc1ccc(NC2CCN(C)CC2)cc1Cl ZINC000019900697 342962041 /nfs/dbraw/zinc/96/20/41/342962041.db2.gz GADPGHGPYLZBBN-UHFFFAOYSA-N 0 3 238.762 3.155 20 0 BGADHN CCCCCNCc1ccc(Br)o1 ZINC000019901270 347376609 /nfs/dbraw/zinc/37/66/09/347376609.db2.gz CYHZFVAOVZZYTK-UHFFFAOYSA-N 0 3 246.148 3.322 20 0 BGADHN CCCCCN[C@@H](C)c1nc2ccccc2n1C ZINC000019901483 342961958 /nfs/dbraw/zinc/96/19/58/342961958.db2.gz RKQVXSWYPZPZDN-LBPRGKRZSA-N 0 3 245.370 3.414 20 0 BGADHN CCCCCN[C@H](C)c1nc2ccccc2n1C ZINC000019901484 342962053 /nfs/dbraw/zinc/96/20/53/342962053.db2.gz RKQVXSWYPZPZDN-GFCCVEGCSA-N 0 3 245.370 3.414 20 0 BGADHN CCC[C@@H](C)NCc1ccc(F)cc1F ZINC000019902516 169371059 /nfs/dbraw/zinc/37/10/59/169371059.db2.gz LZCIYPQACCWKKU-SECBINFHSA-N 0 3 213.271 3.243 20 0 BGADHN CCC[C@H](C)NCc1ccc(F)cc1F ZINC000019902517 388751231 /nfs/dbraw/zinc/75/12/31/388751231.db2.gz LZCIYPQACCWKKU-VIFPVBQESA-N 0 3 213.271 3.243 20 0 BGADHN CCC[C@@H](C)NCc1ccc(Br)o1 ZINC000019902641 169370936 /nfs/dbraw/zinc/37/09/36/169370936.db2.gz PHUVJPSOLBXLBL-MRVPVSSYSA-N 0 3 246.148 3.320 20 0 BGADHN CCC[C@H](C)NCc1ccc(Br)o1 ZINC000019902642 388750862 /nfs/dbraw/zinc/75/08/62/388750862.db2.gz PHUVJPSOLBXLBL-QMMMGPOBSA-N 0 3 246.148 3.320 20 0 BGADHN CCC[C@@H](C)N[C@@H](C)c1nc2ccccc2n1C ZINC000019903015 169370681 /nfs/dbraw/zinc/37/06/81/169370681.db2.gz GTQGASPPJTXHBS-NEPJUHHUSA-N 0 3 245.370 3.413 20 0 BGADHN CCC[C@H](C)N[C@@H](C)c1nc2ccccc2n1C ZINC000019903016 538929117 /nfs/dbraw/zinc/92/91/17/538929117.db2.gz GTQGASPPJTXHBS-RYUDHWBXSA-N 0 3 245.370 3.413 20 0 BGADHN CCC[C@@H](C)N[C@H](C)c1nc2ccccc2n1C ZINC000019903017 169371769 /nfs/dbraw/zinc/37/17/69/169371769.db2.gz GTQGASPPJTXHBS-VXGBXAGGSA-N 0 3 245.370 3.413 20 0 BGADHN CCC[C@H](C)N[C@H](C)c1nc2ccccc2n1C ZINC000019903018 538929015 /nfs/dbraw/zinc/92/90/15/538929015.db2.gz GTQGASPPJTXHBS-NWDGAFQWSA-N 0 3 245.370 3.413 20 0 BGADHN C[C@@H](NCCc1ccc(F)cc1)c1ccccn1 ZINC000019904069 384554450 /nfs/dbraw/zinc/55/44/50/384554450.db2.gz ZMAMCTUSWVAWJO-GFCCVEGCSA-N 0 3 244.313 3.114 20 0 BGADHN C[C@H](NCCc1ccc(F)cc1)c1ccccn1 ZINC000019904070 384553148 /nfs/dbraw/zinc/55/31/48/384553148.db2.gz ZMAMCTUSWVAWJO-LBPRGKRZSA-N 0 3 244.313 3.114 20 0 BGADHN C[C@@H](NCCc1ccc(F)cc1)c1ccco1 ZINC000019904088 384553508 /nfs/dbraw/zinc/55/35/08/384553508.db2.gz YSUGETUZAKMDCB-LLVKDONJSA-N 0 3 233.286 3.312 20 0 BGADHN C[C@H](NCCc1ccc(F)cc1)c1ccco1 ZINC000019904089 384553756 /nfs/dbraw/zinc/55/37/56/384553756.db2.gz YSUGETUZAKMDCB-NSHDSACASA-N 0 3 233.286 3.312 20 0 BGADHN COC[C@@H](C)NCc1ccc(C(C)(C)C)cc1 ZINC000019904299 386787646 /nfs/dbraw/zinc/78/76/46/386787646.db2.gz YJYMLOPACWCIMO-GFCCVEGCSA-N 0 3 235.371 3.109 20 0 BGADHN COC[C@@H](C)N[C@@H](C)c1ccccc1Cl ZINC000019904542 385363152 /nfs/dbraw/zinc/36/31/52/385363152.db2.gz MJHUPHDNUGORCK-ZJUUUORDSA-N 0 3 227.735 3.026 20 0 BGADHN COC[C@H](C)N[C@@H](C)c1ccccc1Cl ZINC000019904543 347377782 /nfs/dbraw/zinc/37/77/82/347377782.db2.gz MJHUPHDNUGORCK-UWVGGRQHSA-N 0 3 227.735 3.026 20 0 BGADHN COC[C@@H](C)N[C@H](C)c1ccccc1Cl ZINC000019904545 385362057 /nfs/dbraw/zinc/36/20/57/385362057.db2.gz MJHUPHDNUGORCK-NXEZZACHSA-N 0 3 227.735 3.026 20 0 BGADHN COC[C@H](C)N[C@H](C)c1ccccc1Cl ZINC000019904547 347377580 /nfs/dbraw/zinc/37/75/80/347377580.db2.gz MJHUPHDNUGORCK-VHSXEESVSA-N 0 3 227.735 3.026 20 0 BGADHN CC[C@@H](N[C@@H](C)COC)c1cccc(Cl)c1 ZINC000019904685 343259233 /nfs/dbraw/zinc/25/92/33/343259233.db2.gz OLXHAPIHDIPXFM-GXFFZTMASA-N 0 3 241.762 3.416 20 0 BGADHN CC[C@H](N[C@@H](C)COC)c1cccc(Cl)c1 ZINC000019904686 343259299 /nfs/dbraw/zinc/25/92/99/343259299.db2.gz OLXHAPIHDIPXFM-GWCFXTLKSA-N 0 3 241.762 3.416 20 0 BGADHN CC[C@@H](N[C@H](C)COC)c1cccc(Cl)c1 ZINC000019904687 343259443 /nfs/dbraw/zinc/25/94/43/343259443.db2.gz OLXHAPIHDIPXFM-ZWNOBZJWSA-N 0 3 241.762 3.416 20 0 BGADHN CC[C@H](N[C@H](C)COC)c1cccc(Cl)c1 ZINC000019904688 343259256 /nfs/dbraw/zinc/25/92/56/343259256.db2.gz OLXHAPIHDIPXFM-MFKMUULPSA-N 0 3 241.762 3.416 20 0 BGADHN CC[C@@H](N[C@@H](C)COC)c1ccc(Cl)cc1 ZINC000019904749 343260862 /nfs/dbraw/zinc/26/08/62/343260862.db2.gz NQLOZJBCPRCHQB-GXFFZTMASA-N 0 3 241.762 3.416 20 0 BGADHN CC[C@H](N[C@@H](C)COC)c1ccc(Cl)cc1 ZINC000019904750 343261168 /nfs/dbraw/zinc/26/11/68/343261168.db2.gz NQLOZJBCPRCHQB-GWCFXTLKSA-N 0 3 241.762 3.416 20 0 BGADHN CC[C@@H](N[C@H](C)COC)c1ccc(Cl)cc1 ZINC000019904751 343261108 /nfs/dbraw/zinc/26/11/08/343261108.db2.gz NQLOZJBCPRCHQB-ZWNOBZJWSA-N 0 3 241.762 3.416 20 0 BGADHN CC[C@H](N[C@H](C)COC)c1ccc(Cl)cc1 ZINC000019904752 343261028 /nfs/dbraw/zinc/26/10/28/343261028.db2.gz NQLOZJBCPRCHQB-MFKMUULPSA-N 0 3 241.762 3.416 20 0 BGADHN COC[C@@H](C)N[C@@H](C)c1cccc(Cl)c1 ZINC000019905015 385362318 /nfs/dbraw/zinc/36/23/18/385362318.db2.gz ZKRCWDGNDWMXDK-ZJUUUORDSA-N 0 3 227.735 3.026 20 0 BGADHN COC[C@H](C)N[C@@H](C)c1cccc(Cl)c1 ZINC000019905016 347377905 /nfs/dbraw/zinc/37/79/05/347377905.db2.gz ZKRCWDGNDWMXDK-UWVGGRQHSA-N 0 3 227.735 3.026 20 0 BGADHN COC[C@@H](C)N[C@H](C)c1cccc(Cl)c1 ZINC000019905017 385362064 /nfs/dbraw/zinc/36/20/64/385362064.db2.gz ZKRCWDGNDWMXDK-NXEZZACHSA-N 0 3 227.735 3.026 20 0 BGADHN COC[C@H](C)N[C@H](C)c1cccc(Cl)c1 ZINC000019905018 347377586 /nfs/dbraw/zinc/37/75/86/347377586.db2.gz ZKRCWDGNDWMXDK-VHSXEESVSA-N 0 3 227.735 3.026 20 0 BGADHN COC[C@@H](C)N[C@@H](C)c1cc2ccccc2o1 ZINC000019905079 384557239 /nfs/dbraw/zinc/55/72/39/384557239.db2.gz CJYPVDSOEMTBDW-MNOVXSKESA-N 0 3 233.311 3.118 20 0 BGADHN COC[C@H](C)N[C@@H](C)c1cc2ccccc2o1 ZINC000019905080 342962556 /nfs/dbraw/zinc/96/25/56/342962556.db2.gz CJYPVDSOEMTBDW-QWRGUYRKSA-N 0 3 233.311 3.118 20 0 BGADHN COC[C@@H](C)N[C@H](C)c1cc2ccccc2o1 ZINC000019905081 384556439 /nfs/dbraw/zinc/55/64/39/384556439.db2.gz CJYPVDSOEMTBDW-GHMZBOCLSA-N 0 3 233.311 3.118 20 0 BGADHN COC[C@H](C)N[C@H](C)c1cc2ccccc2o1 ZINC000019905082 342962269 /nfs/dbraw/zinc/96/22/69/342962269.db2.gz CJYPVDSOEMTBDW-WDEREUQCSA-N 0 3 233.311 3.118 20 0 BGADHN COC[C@@H](C)N[C@@H](C)c1ccc(SC)cc1 ZINC000019905161 384555972 /nfs/dbraw/zinc/55/59/72/384555972.db2.gz LSUARKSQIIDXKP-MNOVXSKESA-N 0 3 239.384 3.094 20 0 BGADHN COC[C@H](C)N[C@@H](C)c1ccc(SC)cc1 ZINC000019905162 342962915 /nfs/dbraw/zinc/96/29/15/342962915.db2.gz LSUARKSQIIDXKP-QWRGUYRKSA-N 0 3 239.384 3.094 20 0 BGADHN COC[C@@H](C)N[C@H](C)c1ccc(SC)cc1 ZINC000019905163 384555391 /nfs/dbraw/zinc/55/53/91/384555391.db2.gz LSUARKSQIIDXKP-GHMZBOCLSA-N 0 3 239.384 3.094 20 0 BGADHN COC[C@H](C)N[C@H](C)c1ccc(SC)cc1 ZINC000019905164 342962888 /nfs/dbraw/zinc/96/28/88/342962888.db2.gz LSUARKSQIIDXKP-WDEREUQCSA-N 0 3 239.384 3.094 20 0 BGADHN CN1CCC(Nc2ccc(C(C)(C)C)cc2)CC1 ZINC000019905403 590041211 /nfs/dbraw/zinc/04/12/11/590041211.db2.gz XHUNPWWOHGNXID-UHFFFAOYSA-N 0 3 246.398 3.490 20 0 BGADHN Cc1c(Cl)cccc1NC1CCN(C)CC1 ZINC000019905459 342962917 /nfs/dbraw/zinc/96/29/17/342962917.db2.gz BLLYQKSRTZSBEY-UHFFFAOYSA-N 0 3 238.762 3.155 20 0 BGADHN CN1CCC(Nc2cccc3c2CCCC3)CC1 ZINC000019906174 343139961 /nfs/dbraw/zinc/13/99/61/343139961.db2.gz JVCBVHXGEYBUEM-UHFFFAOYSA-N 0 3 244.382 3.072 20 0 BGADHN CCCCNCc1ccccc1OC(F)(F)F ZINC000019906949 385195206 /nfs/dbraw/zinc/19/52/06/385195206.db2.gz XHSVEYSTJAXDQV-UHFFFAOYSA-N 0 3 247.260 3.475 20 0 BGADHN CCCCNCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000019906950 590043146 /nfs/dbraw/zinc/04/31/46/590043146.db2.gz NHXLGYXLFYGFRZ-CMPLNLGQSA-N 0 3 207.317 3.293 20 0 BGADHN CCCCNCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000019906951 590043038 /nfs/dbraw/zinc/04/30/38/590043038.db2.gz NHXLGYXLFYGFRZ-JQWIXIFHSA-N 0 3 207.317 3.293 20 0 BGADHN CCCCNCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000019906952 584270189 /nfs/dbraw/zinc/27/01/89/584270189.db2.gz NHXLGYXLFYGFRZ-ZYHUDNBSSA-N 0 3 207.317 3.293 20 0 BGADHN CCCCNCc1ccc([C@H]2C[C@H]2C)o1 ZINC000019906953 584270051 /nfs/dbraw/zinc/27/00/51/584270051.db2.gz NHXLGYXLFYGFRZ-PWSUYJOCSA-N 0 3 207.317 3.293 20 0 BGADHN CCCCN[C@@H](C)c1c(F)cccc1F ZINC000019906984 385359796 /nfs/dbraw/zinc/35/97/96/385359796.db2.gz QRIXQSGFLKEXCT-VIFPVBQESA-N 0 3 213.271 3.416 20 0 BGADHN CCCCN[C@H](C)c1c(F)cccc1F ZINC000019906985 385359753 /nfs/dbraw/zinc/35/97/53/385359753.db2.gz QRIXQSGFLKEXCT-SECBINFHSA-N 0 3 213.271 3.416 20 0 BGADHN CCCCN[C@@H](C)c1cc(OC)ccc1OC ZINC000019907033 384557312 /nfs/dbraw/zinc/55/73/12/384557312.db2.gz RMDLWKXCGGAKTR-NSHDSACASA-N 0 3 237.343 3.155 20 0 BGADHN CCCCN[C@H](C)c1cc(OC)ccc1OC ZINC000019907034 384555907 /nfs/dbraw/zinc/55/59/07/384555907.db2.gz RMDLWKXCGGAKTR-LLVKDONJSA-N 0 3 237.343 3.155 20 0 BGADHN CCCCN[C@@H](C)c1nc2ccccc2n1C ZINC000019907108 384557295 /nfs/dbraw/zinc/55/72/95/384557295.db2.gz RYBZELRTZBNXMK-NSHDSACASA-N 0 3 231.343 3.024 20 0 BGADHN CCCCN[C@H](C)c1nc2ccccc2n1C ZINC000019907109 384557506 /nfs/dbraw/zinc/55/75/06/384557506.db2.gz RYBZELRTZBNXMK-LLVKDONJSA-N 0 3 231.343 3.024 20 0 BGADHN CCCCNCc1ccccc1OC(F)F ZINC000019907134 384557066 /nfs/dbraw/zinc/55/70/66/384557066.db2.gz KIQIMOYGODBVLX-UHFFFAOYSA-N 0 3 229.270 3.178 20 0 BGADHN COc1ccc(CCN[C@@H](C)c2ccco2)cc1 ZINC000019907402 175091435 /nfs/dbraw/zinc/09/14/35/175091435.db2.gz YFVOFTGXAOWZOO-LBPRGKRZSA-N 0 3 245.322 3.182 20 0 BGADHN COc1ccc(CCN[C@H](C)c2ccco2)cc1 ZINC000019907403 175092915 /nfs/dbraw/zinc/09/29/15/175092915.db2.gz YFVOFTGXAOWZOO-GFCCVEGCSA-N 0 3 245.322 3.182 20 0 BGADHN C[C@@H](NCc1ccccc1Cl)C1CC1 ZINC000019908234 343774488 /nfs/dbraw/zinc/77/44/88/343774488.db2.gz HVQCNPYJTOBRLV-SECBINFHSA-N 0 3 209.720 3.228 20 0 BGADHN C[C@H](NCc1ccccc1Cl)C1CC1 ZINC000019908235 385296556 /nfs/dbraw/zinc/29/65/56/385296556.db2.gz HVQCNPYJTOBRLV-VIFPVBQESA-N 0 3 209.720 3.228 20 0 BGADHN CC(C)CCNCc1ccc(Br)o1 ZINC000019911873 385365672 /nfs/dbraw/zinc/36/56/72/385365672.db2.gz LSGXNCMDDXPESG-UHFFFAOYSA-N 0 3 246.148 3.178 20 0 BGADHN CC(C)CCN[C@@H](C)c1nc2ccccc2n1C ZINC000019912108 166862960 /nfs/dbraw/zinc/86/29/60/166862960.db2.gz XIYFDEMEHINXMW-LBPRGKRZSA-N 0 3 245.370 3.270 20 0 BGADHN CC(C)CCN[C@H](C)c1nc2ccccc2n1C ZINC000019912110 384559223 /nfs/dbraw/zinc/55/92/23/384559223.db2.gz XIYFDEMEHINXMW-GFCCVEGCSA-N 0 3 245.370 3.270 20 0 BGADHN C[C@@H](NCCc1ccccc1F)c1ccccn1 ZINC000019912686 384560852 /nfs/dbraw/zinc/56/08/52/384560852.db2.gz AIFYTXRYYUUENI-GFCCVEGCSA-N 0 3 244.313 3.114 20 0 BGADHN C[C@H](NCCc1ccccc1F)c1ccccn1 ZINC000019912687 384559672 /nfs/dbraw/zinc/55/96/72/384559672.db2.gz AIFYTXRYYUUENI-LBPRGKRZSA-N 0 3 244.313 3.114 20 0 BGADHN C[C@@H](NCCc1ccccc1F)c1ccco1 ZINC000019912713 384559414 /nfs/dbraw/zinc/55/94/14/384559414.db2.gz QGIVXZVZSGRPCL-LLVKDONJSA-N 0 3 233.286 3.312 20 0 BGADHN C[C@H](NCCc1ccccc1F)c1ccco1 ZINC000019912714 384559879 /nfs/dbraw/zinc/55/98/79/384559879.db2.gz QGIVXZVZSGRPCL-NSHDSACASA-N 0 3 233.286 3.312 20 0 BGADHN Clc1ccccc1CNCCc1ccccn1 ZINC000019916347 356992808 /nfs/dbraw/zinc/99/28/08/356992808.db2.gz LJGAUYJGJLPMRV-UHFFFAOYSA-N 0 3 246.741 3.067 20 0 BGADHN C[C@@H](NCCc1ccccn1)c1ccccc1F ZINC000019916605 384560622 /nfs/dbraw/zinc/56/06/22/384560622.db2.gz LNPUXLUOEJQSKQ-GFCCVEGCSA-N 0 3 244.313 3.114 20 0 BGADHN C[C@H](NCCc1ccccn1)c1ccccc1F ZINC000019916607 384558757 /nfs/dbraw/zinc/55/87/57/384558757.db2.gz LNPUXLUOEJQSKQ-LBPRGKRZSA-N 0 3 244.313 3.114 20 0 BGADHN Cc1ccc(CNC2CCC(C)CC2)o1 ZINC000019917813 347379103 /nfs/dbraw/zinc/37/91/03/347379103.db2.gz ZSKDWAPJIPBNLD-UHFFFAOYSA-N 0 3 207.317 3.256 20 0 BGADHN Fc1ccc(CNCCc2ccccc2)c(F)c1 ZINC000019919721 356619555 /nfs/dbraw/zinc/61/95/55/356619555.db2.gz YNJHPTHEYJOOTD-UHFFFAOYSA-N 0 3 247.288 3.297 20 0 BGADHN Fc1cccc(F)c1CNCCc1ccccc1 ZINC000019919735 347317339 /nfs/dbraw/zinc/31/73/39/347317339.db2.gz XCRPYWSCFNDNOZ-UHFFFAOYSA-N 0 3 247.288 3.297 20 0 BGADHN C[C@@H](NCCc1ccccc1)c1ccco1 ZINC000019919856 384559760 /nfs/dbraw/zinc/55/97/60/384559760.db2.gz XEBDDHFXDWRZJO-GFCCVEGCSA-N 0 3 215.296 3.173 20 0 BGADHN C[C@H](NCCc1ccccc1)c1ccco1 ZINC000019919858 384560769 /nfs/dbraw/zinc/56/07/69/384560769.db2.gz XEBDDHFXDWRZJO-LBPRGKRZSA-N 0 3 215.296 3.173 20 0 BGADHN Cc1ccc([C@@H](C)NCCc2ccccc2)o1 ZINC000019919870 385203049 /nfs/dbraw/zinc/20/30/49/385203049.db2.gz WDRHWPXEQNNVMW-CYBMUJFWSA-N 0 3 229.323 3.481 20 0 BGADHN Cc1ccc([C@H](C)NCCc2ccccc2)o1 ZINC000019919872 385201621 /nfs/dbraw/zinc/20/16/21/385201621.db2.gz WDRHWPXEQNNVMW-ZDUSSCGKSA-N 0 3 229.323 3.481 20 0 BGADHN C[C@@H](NCc1ccc(F)cc1)c1ccncc1 ZINC000019943652 387066420 /nfs/dbraw/zinc/06/64/20/387066420.db2.gz XDYOFJVKUDAMEW-LLVKDONJSA-N 0 3 230.286 3.072 20 0 BGADHN C[C@H](NCc1ccc(F)cc1)c1ccncc1 ZINC000019943656 387066379 /nfs/dbraw/zinc/06/63/79/387066379.db2.gz XDYOFJVKUDAMEW-NSHDSACASA-N 0 3 230.286 3.072 20 0 BGADHN COc1ccccc1CNCCc1cccs1 ZINC000019948458 384560443 /nfs/dbraw/zinc/56/04/43/384560443.db2.gz CPATYIZMFLGVKS-UHFFFAOYSA-N 0 3 247.363 3.089 20 0 BGADHN C[C@@H](NCCc1cccs1)c1ccccn1 ZINC000019948855 384560576 /nfs/dbraw/zinc/56/05/76/384560576.db2.gz LQKSFSYMEIVZHI-LLVKDONJSA-N 0 3 232.352 3.036 20 0 BGADHN C[C@H](NCCc1cccs1)c1ccccn1 ZINC000019948859 384563728 /nfs/dbraw/zinc/56/37/28/384563728.db2.gz LQKSFSYMEIVZHI-NSHDSACASA-N 0 3 232.352 3.036 20 0 BGADHN C[C@@H](NCCc1cccs1)c1ccco1 ZINC000019948936 384562036 /nfs/dbraw/zinc/56/20/36/384562036.db2.gz GCZITXIBSCBZOA-SNVBAGLBSA-N 0 3 221.325 3.234 20 0 BGADHN C[C@H](NCCc1cccs1)c1ccco1 ZINC000019948942 176854217 /nfs/dbraw/zinc/85/42/17/176854217.db2.gz GCZITXIBSCBZOA-JTQLQIEISA-N 0 3 221.325 3.234 20 0 BGADHN Fc1ccccc1CNCCc1cccs1 ZINC000019949409 181013130 /nfs/dbraw/zinc/01/31/30/181013130.db2.gz FJLIMHOURDINON-UHFFFAOYSA-N 0 3 235.327 3.220 20 0 BGADHN Cc1ccc(CNCc2cccc(F)c2)cc1 ZINC000019962337 363146949 /nfs/dbraw/zinc/14/69/49/363146949.db2.gz GQXMAGXEASNRHQ-UHFFFAOYSA-N 0 3 229.298 3.424 20 0 BGADHN Cc1ccc(CN[C@H](C)c2ccncc2)cc1 ZINC000019962446 342965139 /nfs/dbraw/zinc/96/51/39/342965139.db2.gz AXPSBMVLSGDMOZ-CYBMUJFWSA-N 0 3 226.323 3.241 20 0 BGADHN Cc1ccc(CN[C@@H](C)c2ccncc2)cc1 ZINC000019962448 342965338 /nfs/dbraw/zinc/96/53/38/342965338.db2.gz AXPSBMVLSGDMOZ-ZDUSSCGKSA-N 0 3 226.323 3.241 20 0 BGADHN Cc1ccc(CN[C@H](C)c2cccnc2)cc1 ZINC000019962450 342965329 /nfs/dbraw/zinc/96/53/29/342965329.db2.gz CORJONLPALKYDG-CYBMUJFWSA-N 0 3 226.323 3.241 20 0 BGADHN Cc1ccc(CN[C@@H](C)c2cccnc2)cc1 ZINC000019962452 342965298 /nfs/dbraw/zinc/96/52/98/342965298.db2.gz CORJONLPALKYDG-ZDUSSCGKSA-N 0 3 226.323 3.241 20 0 BGADHN CCOCCCN[C@@H](C)c1ccccc1Cl ZINC000019962902 170381586 /nfs/dbraw/zinc/38/15/86/170381586.db2.gz OQNJLAKQPXVFKO-NSHDSACASA-N 0 3 241.762 3.417 20 0 BGADHN CCOCCCN[C@H](C)c1ccccc1Cl ZINC000019962903 170383193 /nfs/dbraw/zinc/38/31/93/170383193.db2.gz OQNJLAKQPXVFKO-LLVKDONJSA-N 0 3 241.762 3.417 20 0 BGADHN CCOCCCN[C@@H](C)c1c(F)cccc1F ZINC000019962918 170381479 /nfs/dbraw/zinc/38/14/79/170381479.db2.gz IDPJISOFRATGJN-JTQLQIEISA-N 0 3 243.297 3.042 20 0 BGADHN CCOCCCN[C@H](C)c1c(F)cccc1F ZINC000019962919 170382513 /nfs/dbraw/zinc/38/25/13/170382513.db2.gz IDPJISOFRATGJN-SNVBAGLBSA-N 0 3 243.297 3.042 20 0 BGADHN CCOCCCN[C@@H](C)c1ccc(F)cc1F ZINC000019963016 170381894 /nfs/dbraw/zinc/38/18/94/170381894.db2.gz FRQPWFMHDDABEF-JTQLQIEISA-N 0 3 243.297 3.042 20 0 BGADHN CCOCCCN[C@H](C)c1ccc(F)cc1F ZINC000019963017 170383012 /nfs/dbraw/zinc/38/30/12/170383012.db2.gz FRQPWFMHDDABEF-SNVBAGLBSA-N 0 3 243.297 3.042 20 0 BGADHN CCOCCCN[C@@H](C)c1cc(F)ccc1F ZINC000019963039 170381466 /nfs/dbraw/zinc/38/14/66/170381466.db2.gz ZCWYLRWWHGVEJQ-JTQLQIEISA-N 0 3 243.297 3.042 20 0 BGADHN CCOCCCN[C@H](C)c1cc(F)ccc1F ZINC000019963040 170382752 /nfs/dbraw/zinc/38/27/52/170382752.db2.gz ZCWYLRWWHGVEJQ-SNVBAGLBSA-N 0 3 243.297 3.042 20 0 BGADHN C[C@@H](NC[C@@H]1CCCO1)c1ccc(Cl)cc1 ZINC000019963500 387067521 /nfs/dbraw/zinc/06/75/21/387067521.db2.gz WGGAXMRMCHYHOE-MFKMUULPSA-N 0 3 239.746 3.170 20 0 BGADHN C[C@H](NC[C@@H]1CCCO1)c1ccc(Cl)cc1 ZINC000019963501 387068633 /nfs/dbraw/zinc/06/86/33/387068633.db2.gz WGGAXMRMCHYHOE-GWCFXTLKSA-N 0 3 239.746 3.170 20 0 BGADHN C[C@@H](NC[C@H]1CCCO1)c1ccc(Cl)cc1 ZINC000019963502 384562356 /nfs/dbraw/zinc/56/23/56/384562356.db2.gz WGGAXMRMCHYHOE-ZWNOBZJWSA-N 0 3 239.746 3.170 20 0 BGADHN C[C@H](NC[C@H]1CCCO1)c1ccc(Cl)cc1 ZINC000019963503 176868039 /nfs/dbraw/zinc/86/80/39/176868039.db2.gz WGGAXMRMCHYHOE-GXFFZTMASA-N 0 3 239.746 3.170 20 0 BGADHN C[C@@H](NC[C@@H]1CCCO1)c1ccccc1Cl ZINC000019963504 384563361 /nfs/dbraw/zinc/56/33/61/384563361.db2.gz LGYZJFCKBVWYME-MNOVXSKESA-N 0 3 239.746 3.170 20 0 BGADHN C[C@H](NC[C@@H]1CCCO1)c1ccccc1Cl ZINC000019963505 384562221 /nfs/dbraw/zinc/56/22/21/384562221.db2.gz LGYZJFCKBVWYME-QWRGUYRKSA-N 0 3 239.746 3.170 20 0 BGADHN C[C@@H](NC[C@H]1CCCO1)c1ccccc1Cl ZINC000019963506 384563663 /nfs/dbraw/zinc/56/36/63/384563663.db2.gz LGYZJFCKBVWYME-GHMZBOCLSA-N 0 3 239.746 3.170 20 0 BGADHN C[C@H](NC[C@H]1CCCO1)c1ccccc1Cl ZINC000019963507 384564041 /nfs/dbraw/zinc/56/40/41/384564041.db2.gz LGYZJFCKBVWYME-WDEREUQCSA-N 0 3 239.746 3.170 20 0 BGADHN C[C@@H](NC[C@@H]1CCCO1)c1cccc(Cl)c1 ZINC000019963840 384565780 /nfs/dbraw/zinc/56/57/80/384565780.db2.gz OQJGHVNWCDESEF-MFKMUULPSA-N 0 3 239.746 3.170 20 0 BGADHN C[C@H](NC[C@@H]1CCCO1)c1cccc(Cl)c1 ZINC000019963841 384566562 /nfs/dbraw/zinc/56/65/62/384566562.db2.gz OQJGHVNWCDESEF-GWCFXTLKSA-N 0 3 239.746 3.170 20 0 BGADHN C[C@@H](NC[C@H]1CCCO1)c1cccc(Cl)c1 ZINC000019963842 384566288 /nfs/dbraw/zinc/56/62/88/384566288.db2.gz OQJGHVNWCDESEF-ZWNOBZJWSA-N 0 3 239.746 3.170 20 0 BGADHN C[C@H](NC[C@H]1CCCO1)c1cccc(Cl)c1 ZINC000019963843 384566307 /nfs/dbraw/zinc/56/63/07/384566307.db2.gz OQJGHVNWCDESEF-GXFFZTMASA-N 0 3 239.746 3.170 20 0 BGADHN C[C@@H](NC[C@@H]1CCCO1)c1cc2ccccc2o1 ZINC000019963882 385665482 /nfs/dbraw/zinc/66/54/82/385665482.db2.gz INXKBFXSBMXCGE-YPMHNXCESA-N 0 3 245.322 3.262 20 0 BGADHN C[C@H](NC[C@@H]1CCCO1)c1cc2ccccc2o1 ZINC000019963883 384567077 /nfs/dbraw/zinc/56/70/77/384567077.db2.gz INXKBFXSBMXCGE-AAEUAGOBSA-N 0 3 245.322 3.262 20 0 BGADHN C[C@@H](NC[C@H]1CCCO1)c1cc2ccccc2o1 ZINC000019963884 384566783 /nfs/dbraw/zinc/56/67/83/384566783.db2.gz INXKBFXSBMXCGE-DGCLKSJQSA-N 0 3 245.322 3.262 20 0 BGADHN C[C@H](NC[C@H]1CCCO1)c1cc2ccccc2o1 ZINC000019963885 176867596 /nfs/dbraw/zinc/86/75/96/176867596.db2.gz INXKBFXSBMXCGE-WCQYABFASA-N 0 3 245.322 3.262 20 0 BGADHN COc1c(C)cnc(CNC2CCCCC2)c1C ZINC000020035777 590068247 /nfs/dbraw/zinc/06/82/47/590068247.db2.gz DCVQZJIRVRZACZ-UHFFFAOYSA-N 0 3 248.370 3.129 20 0 BGADHN CC[C@@H](C)NCc1ccc(F)cc1Cl ZINC000020036445 590068098 /nfs/dbraw/zinc/06/80/98/590068098.db2.gz WMROMHWFZGBKIN-MRVPVSSYSA-N 0 3 215.699 3.367 20 0 BGADHN CC[C@H](C)NCc1ccc(F)cc1Cl ZINC000020036449 171342678 /nfs/dbraw/zinc/34/26/78/171342678.db2.gz WMROMHWFZGBKIN-QMMMGPOBSA-N 0 3 215.699 3.367 20 0 BGADHN CC(C)CNCc1ccc(F)cc1Cl ZINC000020036824 167008129 /nfs/dbraw/zinc/00/81/29/167008129.db2.gz IBJHUPKWBOQIBD-UHFFFAOYSA-N 0 3 215.699 3.225 20 0 BGADHN CC1CCC(NCc2cn3ccccc3n2)CC1 ZINC000020050239 168164558 /nfs/dbraw/zinc/16/45/58/168164558.db2.gz RBUGUXJPEVUEOS-UHFFFAOYSA-N 0 3 243.354 3.003 20 0 BGADHN C[C@@H]1CCCC[C@@H]1NCc1cn2ccccc2n1 ZINC000020052822 176081498 /nfs/dbraw/zinc/08/14/98/176081498.db2.gz VVWJGEQCSPHPCM-OCCSQVGLSA-N 0 3 243.354 3.003 20 0 BGADHN C[C@H]1CCCC[C@@H]1NCc1cn2ccccc2n1 ZINC000020052824 177083724 /nfs/dbraw/zinc/08/37/24/177083724.db2.gz VVWJGEQCSPHPCM-JSGCOSHPSA-N 0 3 243.354 3.003 20 0 BGADHN C[C@@H]1CCCC[C@H]1NCc1cn2ccccc2n1 ZINC000020052826 176088263 /nfs/dbraw/zinc/08/82/63/176088263.db2.gz VVWJGEQCSPHPCM-TZMCWYRMSA-N 0 3 243.354 3.003 20 0 BGADHN C[C@H]1CCCC[C@H]1NCc1cn2ccccc2n1 ZINC000020052828 177088732 /nfs/dbraw/zinc/08/87/32/177088732.db2.gz VVWJGEQCSPHPCM-GXTWGEPZSA-N 0 3 243.354 3.003 20 0 BGADHN CCCNCc1cc(F)ccc1Br ZINC000020056535 169266011 /nfs/dbraw/zinc/26/60/11/169266011.db2.gz VSMWROQLHOELPJ-UHFFFAOYSA-N 0 3 246.123 3.088 20 0 BGADHN CCCNCc1ccc(F)cc1Br ZINC000020056551 169267364 /nfs/dbraw/zinc/26/73/64/169267364.db2.gz YEHHEFZJNHZWTC-UHFFFAOYSA-N 0 3 246.123 3.088 20 0 BGADHN COC[C@@H](C)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000020078407 384575314 /nfs/dbraw/zinc/57/53/14/384575314.db2.gz NXDWSXCYJUJROA-BDAKNGLRSA-N 0 3 245.725 3.165 20 0 BGADHN COC[C@H](C)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000020078409 342968091 /nfs/dbraw/zinc/96/80/91/342968091.db2.gz NXDWSXCYJUJROA-IUCAKERBSA-N 0 3 245.725 3.165 20 0 BGADHN COC[C@@H](C)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000020078410 384575531 /nfs/dbraw/zinc/57/55/31/384575531.db2.gz NXDWSXCYJUJROA-RKDXNWHRSA-N 0 3 245.725 3.165 20 0 BGADHN COC[C@H](C)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000020078412 342967947 /nfs/dbraw/zinc/96/79/47/342967947.db2.gz NXDWSXCYJUJROA-DTWKUNHWSA-N 0 3 245.725 3.165 20 0 BGADHN COc1cccc2cc([C@@H](C)NC3CC3)oc21 ZINC000020083175 175307365 /nfs/dbraw/zinc/30/73/65/175307365.db2.gz GNIAMHJVSUQVGB-SECBINFHSA-N 0 3 231.295 3.254 20 0 BGADHN COc1cccc2cc([C@H](C)NC3CC3)oc21 ZINC000020083178 175307239 /nfs/dbraw/zinc/30/72/39/175307239.db2.gz GNIAMHJVSUQVGB-VIFPVBQESA-N 0 3 231.295 3.254 20 0 BGADHN CCC[C@@H](NCCOC)c1ccc(Cl)cc1 ZINC000020085597 385678950 /nfs/dbraw/zinc/67/89/50/385678950.db2.gz JUMYHXFRFAFGJD-CYBMUJFWSA-N 0 3 241.762 3.417 20 0 BGADHN CCC[C@H](NCCOC)c1ccc(Cl)cc1 ZINC000020085598 351897131 /nfs/dbraw/zinc/89/71/31/351897131.db2.gz JUMYHXFRFAFGJD-ZDUSSCGKSA-N 0 3 241.762 3.417 20 0 BGADHN CCCCc1ccc([C@@H](C)NCCOC)cc1 ZINC000020085634 259388088 /nfs/dbraw/zinc/38/80/88/259388088.db2.gz VYSHXTQBVLWISR-CYBMUJFWSA-N 0 3 235.371 3.326 20 0 BGADHN CCCCc1ccc([C@H](C)NCCOC)cc1 ZINC000020085635 259388154 /nfs/dbraw/zinc/38/81/54/259388154.db2.gz VYSHXTQBVLWISR-ZDUSSCGKSA-N 0 3 235.371 3.326 20 0 BGADHN CC[C@@H](C)N[C@@H](C)c1nc(C)sc1C ZINC000020085794 538930742 /nfs/dbraw/zinc/93/07/42/538930742.db2.gz PJKZJDGTWGQQPY-SFYZADRCSA-N 0 3 212.362 3.209 20 0 BGADHN CC[C@H](C)N[C@@H](C)c1nc(C)sc1C ZINC000020085796 171346150 /nfs/dbraw/zinc/34/61/50/171346150.db2.gz PJKZJDGTWGQQPY-YUMQZZPRSA-N 0 3 212.362 3.209 20 0 BGADHN CC[C@@H](C)N[C@H](C)c1nc(C)sc1C ZINC000020085798 538930733 /nfs/dbraw/zinc/93/07/33/538930733.db2.gz PJKZJDGTWGQQPY-HTQZYQBOSA-N 0 3 212.362 3.209 20 0 BGADHN CC[C@H](C)N[C@H](C)c1nc(C)sc1C ZINC000020085800 171347922 /nfs/dbraw/zinc/34/79/22/171347922.db2.gz PJKZJDGTWGQQPY-JGVFFNPUSA-N 0 3 212.362 3.209 20 0 BGADHN Cc1nc([C@H](C)NCC(C)C)c(C)s1 ZINC000020085908 180049167 /nfs/dbraw/zinc/04/91/67/180049167.db2.gz WQJNMGYHZAHLMC-QMMMGPOBSA-N 0 3 212.362 3.067 20 0 BGADHN Cc1nc([C@@H](C)NCC(C)C)c(C)s1 ZINC000020085910 180034504 /nfs/dbraw/zinc/03/45/04/180034504.db2.gz WQJNMGYHZAHLMC-MRVPVSSYSA-N 0 3 212.362 3.067 20 0 BGADHN Cc1nc([C@@H](C)NC2CCCC2)c(C)s1 ZINC000020086019 180034288 /nfs/dbraw/zinc/03/42/88/180034288.db2.gz IKNMJADSBCQVOC-MRVPVSSYSA-N 0 3 224.373 3.353 20 0 BGADHN Cc1nc([C@H](C)NC2CCCC2)c(C)s1 ZINC000020086021 180048887 /nfs/dbraw/zinc/04/88/87/180048887.db2.gz IKNMJADSBCQVOC-QMMMGPOBSA-N 0 3 224.373 3.353 20 0 BGADHN COC[C@@H](C)N[C@@H](C)c1cc(C)sc1C ZINC000020087654 385413114 /nfs/dbraw/zinc/41/31/14/385413114.db2.gz QFWYCHJMVCOGDG-SCZZXKLOSA-N 0 3 227.373 3.050 20 0 BGADHN COC[C@H](C)N[C@@H](C)c1cc(C)sc1C ZINC000020087656 347405532 /nfs/dbraw/zinc/40/55/32/347405532.db2.gz QFWYCHJMVCOGDG-WPRPVWTQSA-N 0 3 227.373 3.050 20 0 BGADHN COC[C@@H](C)N[C@H](C)c1cc(C)sc1C ZINC000020087658 385412505 /nfs/dbraw/zinc/41/25/05/385412505.db2.gz QFWYCHJMVCOGDG-PSASIEDQSA-N 0 3 227.373 3.050 20 0 BGADHN COC[C@H](C)N[C@H](C)c1cc(C)sc1C ZINC000020087660 347405543 /nfs/dbraw/zinc/40/55/43/347405543.db2.gz QFWYCHJMVCOGDG-WCBMZHEXSA-N 0 3 227.373 3.050 20 0 BGADHN CCCCN[C@@H](C)c1nc(C)sc1C ZINC000020088143 538930530 /nfs/dbraw/zinc/93/05/30/538930530.db2.gz IPBGYOWUTRUXGH-QMMMGPOBSA-N 0 3 212.362 3.211 20 0 BGADHN CCCCN[C@H](C)c1nc(C)sc1C ZINC000020088145 538930493 /nfs/dbraw/zinc/93/04/93/538930493.db2.gz IPBGYOWUTRUXGH-MRVPVSSYSA-N 0 3 212.362 3.211 20 0 BGADHN CSCCCNCc1ccccc1Cl ZINC000020088341 384574190 /nfs/dbraw/zinc/57/41/90/384574190.db2.gz TWHAVCKERGLHGL-UHFFFAOYSA-N 0 3 229.776 3.183 20 0 BGADHN Cc1nc([C@H](C)NCCC(C)C)c(C)s1 ZINC000020088761 537799630 /nfs/dbraw/zinc/79/96/30/537799630.db2.gz YDFDAHZONHDRJY-VIFPVBQESA-N 0 3 226.389 3.457 20 0 BGADHN Cc1nc([C@@H](C)NCCC(C)C)c(C)s1 ZINC000020088763 538930772 /nfs/dbraw/zinc/93/07/72/538930772.db2.gz YDFDAHZONHDRJY-SECBINFHSA-N 0 3 226.389 3.457 20 0 BGADHN CCCCC[C@@H](C)NCc1ccccn1 ZINC000020091684 520286226 /nfs/dbraw/zinc/28/62/26/520286226.db2.gz FQTSBJSAJYZXFO-GFCCVEGCSA-N 0 3 206.333 3.140 20 0 BGADHN CCCCC[C@H](C)NCc1ccccn1 ZINC000020091686 520309610 /nfs/dbraw/zinc/30/96/10/520309610.db2.gz FQTSBJSAJYZXFO-LBPRGKRZSA-N 0 3 206.333 3.140 20 0 BGADHN Cc1cc(Cl)ccc1NC1CCN(C)CC1 ZINC000020095158 342969434 /nfs/dbraw/zinc/96/94/34/342969434.db2.gz GGIXOIMQWCGSGT-UHFFFAOYSA-N 0 3 238.762 3.155 20 0 BGADHN COc1ccccc1[C@@H](C)NCCCSC ZINC000020097048 175345398 /nfs/dbraw/zinc/34/53/98/175345398.db2.gz GWCVKCPHOLTZMF-LLVKDONJSA-N 0 3 239.384 3.099 20 0 BGADHN COc1ccccc1[C@H](C)NCCCSC ZINC000020097050 175350777 /nfs/dbraw/zinc/35/07/77/175350777.db2.gz GWCVKCPHOLTZMF-NSHDSACASA-N 0 3 239.384 3.099 20 0 BGADHN C[C@@H](NCc1cccc(F)c1)c1ccncc1 ZINC000020120996 356997836 /nfs/dbraw/zinc/99/78/36/356997836.db2.gz QGEPKEGVWHPKRZ-LLVKDONJSA-N 0 3 230.286 3.072 20 0 BGADHN C[C@H](NCc1cccc(F)c1)c1ccncc1 ZINC000020120998 387075777 /nfs/dbraw/zinc/07/57/77/387075777.db2.gz QGEPKEGVWHPKRZ-NSHDSACASA-N 0 3 230.286 3.072 20 0 BGADHN Cc1ccccc1CN[C@H](C)c1ccncc1 ZINC000020121003 179284192 /nfs/dbraw/zinc/28/41/92/179284192.db2.gz IGPDYTATFSUNPM-CYBMUJFWSA-N 0 3 226.323 3.241 20 0 BGADHN Cc1ccccc1CN[C@@H](C)c1ccncc1 ZINC000020121005 179283390 /nfs/dbraw/zinc/28/33/90/179283390.db2.gz IGPDYTATFSUNPM-ZDUSSCGKSA-N 0 3 226.323 3.241 20 0 BGADHN Cc1ccsc1CN[C@H](C)c1ccncc1 ZINC000020121080 342969748 /nfs/dbraw/zinc/96/97/48/342969748.db2.gz MYYQMMVKTMXQEW-LLVKDONJSA-N 0 3 232.352 3.302 20 0 BGADHN Cc1ccsc1CN[C@@H](C)c1ccncc1 ZINC000020121082 342969668 /nfs/dbraw/zinc/96/96/68/342969668.db2.gz MYYQMMVKTMXQEW-NSHDSACASA-N 0 3 232.352 3.302 20 0 BGADHN Cc1ccc(CN[C@H](C)c2ccncc2)s1 ZINC000020121674 342969508 /nfs/dbraw/zinc/96/95/08/342969508.db2.gz QBLOEQWJSUUGCN-LLVKDONJSA-N 0 3 232.352 3.302 20 0 BGADHN Cc1ccc(CN[C@@H](C)c2ccncc2)s1 ZINC000020121675 342969515 /nfs/dbraw/zinc/96/95/15/342969515.db2.gz QBLOEQWJSUUGCN-NSHDSACASA-N 0 3 232.352 3.302 20 0 BGADHN Cc1ccc(CNCCCc2ccccc2)o1 ZINC000020122695 590076747 /nfs/dbraw/zinc/07/67/47/590076747.db2.gz VAQARBXHVFRDSD-UHFFFAOYSA-N 0 3 229.323 3.310 20 0 BGADHN C[C@@H](NCCCc1ccccc1)c1ccccn1 ZINC000020122711 384578664 /nfs/dbraw/zinc/57/86/64/384578664.db2.gz ZRYYXTGRUMENOU-CQSZACIVSA-N 0 3 240.350 3.365 20 0 BGADHN C[C@H](NCCCc1ccccc1)c1ccccn1 ZINC000020122712 384577626 /nfs/dbraw/zinc/57/76/26/384577626.db2.gz ZRYYXTGRUMENOU-AWEZNQCLSA-N 0 3 240.350 3.365 20 0 BGADHN C[C@@H](N[C@@H]1CCSC1)c1ccccc1Cl ZINC000020123992 347407646 /nfs/dbraw/zinc/40/76/46/347407646.db2.gz XFHDKSZMIWXKLD-NXEZZACHSA-N 0 3 241.787 3.496 20 0 BGADHN C[C@H](N[C@@H]1CCSC1)c1ccccc1Cl ZINC000020123993 347407024 /nfs/dbraw/zinc/40/70/24/347407024.db2.gz XFHDKSZMIWXKLD-VHSXEESVSA-N 0 3 241.787 3.496 20 0 BGADHN C[C@@H](N[C@H]1CCSC1)c1ccccc1Cl ZINC000020123994 347407236 /nfs/dbraw/zinc/40/72/36/347407236.db2.gz XFHDKSZMIWXKLD-ZJUUUORDSA-N 0 3 241.787 3.496 20 0 BGADHN C[C@H](N[C@H]1CCSC1)c1ccccc1Cl ZINC000020123995 347407243 /nfs/dbraw/zinc/40/72/43/347407243.db2.gz XFHDKSZMIWXKLD-UWVGGRQHSA-N 0 3 241.787 3.496 20 0 BGADHN C[C@@H](NC[C@@H]1CCOC1)c1ccccc1Cl ZINC000020124100 384577307 /nfs/dbraw/zinc/57/73/07/384577307.db2.gz VLULOPWNKVZUQG-MNOVXSKESA-N 0 3 239.746 3.027 20 0 BGADHN C[C@H](NC[C@@H]1CCOC1)c1ccccc1Cl ZINC000020124101 384577746 /nfs/dbraw/zinc/57/77/46/384577746.db2.gz VLULOPWNKVZUQG-QWRGUYRKSA-N 0 3 239.746 3.027 20 0 BGADHN C[C@@H](NC[C@H]1CCOC1)c1ccccc1Cl ZINC000020124102 384577766 /nfs/dbraw/zinc/57/77/66/384577766.db2.gz VLULOPWNKVZUQG-GHMZBOCLSA-N 0 3 239.746 3.027 20 0 BGADHN C[C@H](NC[C@H]1CCOC1)c1ccccc1Cl ZINC000020124103 384578223 /nfs/dbraw/zinc/57/82/23/384578223.db2.gz VLULOPWNKVZUQG-WDEREUQCSA-N 0 3 239.746 3.027 20 0 BGADHN Cc1ccccc1[C@@H](C)NCc1ccncc1 ZINC000020126128 179320691 /nfs/dbraw/zinc/32/06/91/179320691.db2.gz JUFOWDCRRQXPNM-CYBMUJFWSA-N 0 3 226.323 3.241 20 0 BGADHN CCc1ccc(CN[C@@H](C)c2cccnc2)cc1 ZINC000020127465 384581390 /nfs/dbraw/zinc/58/13/90/384581390.db2.gz RNKSECCRURTSLP-ZDUSSCGKSA-N 0 3 240.350 3.495 20 0 BGADHN CCc1ccc(CN[C@H](C)c2cccnc2)cc1 ZINC000020127466 384582318 /nfs/dbraw/zinc/58/23/18/384582318.db2.gz RNKSECCRURTSLP-CYBMUJFWSA-N 0 3 240.350 3.495 20 0 BGADHN Cc1ccsc1CN[C@H](C)c1cccnc1 ZINC000020127500 342970555 /nfs/dbraw/zinc/97/05/55/342970555.db2.gz IFKNZNRAFCTHLU-LLVKDONJSA-N 0 3 232.352 3.302 20 0 BGADHN Cc1ccsc1CN[C@@H](C)c1cccnc1 ZINC000020127501 342970540 /nfs/dbraw/zinc/97/05/40/342970540.db2.gz IFKNZNRAFCTHLU-NSHDSACASA-N 0 3 232.352 3.302 20 0 BGADHN Cc1ccc(CN[C@H](C)c2cccnc2)s1 ZINC000020127935 356998714 /nfs/dbraw/zinc/99/87/14/356998714.db2.gz CFGSOZFHKSIAQW-LLVKDONJSA-N 0 3 232.352 3.302 20 0 BGADHN Cc1ccc(CN[C@@H](C)c2cccnc2)s1 ZINC000020127936 356998649 /nfs/dbraw/zinc/99/86/49/356998649.db2.gz CFGSOZFHKSIAQW-NSHDSACASA-N 0 3 232.352 3.302 20 0 BGADHN C[C@@H](N[C@@H]1CCc2ccccc21)c1ccncc1 ZINC000020129753 342970905 /nfs/dbraw/zinc/97/09/05/342970905.db2.gz GUOXEEKPTKJGBF-MLGOLLRUSA-N 0 3 238.334 3.420 20 0 BGADHN C[C@H](N[C@@H]1CCc2ccccc21)c1ccncc1 ZINC000020129754 342971020 /nfs/dbraw/zinc/97/10/20/342971020.db2.gz GUOXEEKPTKJGBF-BLLLJJGKSA-N 0 3 238.334 3.420 20 0 BGADHN C[C@@H](N[C@H]1CCc2ccccc21)c1ccncc1 ZINC000020129755 342970955 /nfs/dbraw/zinc/97/09/55/342970955.db2.gz GUOXEEKPTKJGBF-WBMJQRKESA-N 0 3 238.334 3.420 20 0 BGADHN C[C@H](N[C@H]1CCc2ccccc21)c1ccncc1 ZINC000020129756 342971006 /nfs/dbraw/zinc/97/10/06/342971006.db2.gz GUOXEEKPTKJGBF-LRDDRELGSA-N 0 3 238.334 3.420 20 0 BGADHN C[C@H](N[C@@H]1CCc2ccccc21)c1cccnc1 ZINC000020129759 342970866 /nfs/dbraw/zinc/97/08/66/342970866.db2.gz OYXPWMOWZKYZHB-BLLLJJGKSA-N 0 3 238.334 3.420 20 0 BGADHN C[C@@H](N[C@H]1CCc2ccccc21)c1cccnc1 ZINC000020129760 175928330 /nfs/dbraw/zinc/92/83/30/175928330.db2.gz OYXPWMOWZKYZHB-WBMJQRKESA-N 0 3 238.334 3.420 20 0 BGADHN C[C@H](N[C@H]1CCc2ccccc21)c1cccnc1 ZINC000020129761 342970998 /nfs/dbraw/zinc/97/09/98/342970998.db2.gz OYXPWMOWZKYZHB-LRDDRELGSA-N 0 3 238.334 3.420 20 0 BGADHN Oc1cccc(CN[C@@H]2CCc3ccccc32)c1 ZINC000020129991 183291168 /nfs/dbraw/zinc/29/11/68/183291168.db2.gz BJFOJUWXQWGAQM-MRXNPFEDSA-N 0 3 239.318 3.169 20 0 BGADHN Oc1cccc(CN[C@H]2CCc3ccccc32)c1 ZINC000020129993 183291920 /nfs/dbraw/zinc/29/19/20/183291920.db2.gz BJFOJUWXQWGAQM-INIZCTEOSA-N 0 3 239.318 3.169 20 0 BGADHN COc1cccc(CNCc2cccc(C)c2)c1 ZINC000020133855 175265782 /nfs/dbraw/zinc/26/57/82/175265782.db2.gz YOWRFJWOTIKLQE-UHFFFAOYSA-N 0 3 241.334 3.293 20 0 BGADHN Cc1cccc(CNCc2cccc(F)c2)c1 ZINC000020133866 179093468 /nfs/dbraw/zinc/09/34/68/179093468.db2.gz SNDAHDOJRSPFIN-UHFFFAOYSA-N 0 3 229.298 3.424 20 0 BGADHN Cc1cccc(CNCc2ccsc2)c1 ZINC000020133925 179095018 /nfs/dbraw/zinc/09/50/18/179095018.db2.gz CEGSEHMLPWMJOO-UHFFFAOYSA-N 0 3 217.337 3.346 20 0 BGADHN Cc1cccc(CN[C@H](C)c2cccnc2)c1 ZINC000020134029 179099157 /nfs/dbraw/zinc/09/91/57/179099157.db2.gz OUEUHRQCKFRMFA-CYBMUJFWSA-N 0 3 226.323 3.241 20 0 BGADHN Cc1cccc(CN[C@@H](C)c2cccnc2)c1 ZINC000020134032 179098910 /nfs/dbraw/zinc/09/89/10/179098910.db2.gz OUEUHRQCKFRMFA-ZDUSSCGKSA-N 0 3 226.323 3.241 20 0 BGADHN CC(C)c1cccc(NC2CCN(C)CC2)c1 ZINC000020136457 342971445 /nfs/dbraw/zinc/97/14/45/342971445.db2.gz DQFHYTXUJDZKIM-UHFFFAOYSA-N 0 3 232.371 3.316 20 0 BGADHN CCCc1ccc(NC2CCN(C)CC2)cc1 ZINC000020136631 590077715 /nfs/dbraw/zinc/07/77/15/590077715.db2.gz PYQYILPONZKNEG-UHFFFAOYSA-N 0 3 232.371 3.145 20 0 BGADHN Cc1ccc(CNC[C@H](C)c2ccccc2)o1 ZINC000020137021 259389227 /nfs/dbraw/zinc/38/92/27/259389227.db2.gz NPRUCGHWZGSLPE-LBPRGKRZSA-N 0 3 229.323 3.481 20 0 BGADHN Cc1ccc(CNC[C@@H](C)c2ccccc2)o1 ZINC000020137025 259389321 /nfs/dbraw/zinc/38/93/21/259389321.db2.gz NPRUCGHWZGSLPE-GFCCVEGCSA-N 0 3 229.323 3.481 20 0 BGADHN CC(C)CCC[C@@H](C)NCc1ccccn1 ZINC000020138790 384581333 /nfs/dbraw/zinc/58/13/33/384581333.db2.gz DXHLJQWSSGWAOD-CYBMUJFWSA-N 0 3 220.360 3.386 20 0 BGADHN CC(C)CCC[C@H](C)NCc1ccccn1 ZINC000020138793 166824847 /nfs/dbraw/zinc/82/48/47/166824847.db2.gz DXHLJQWSSGWAOD-ZDUSSCGKSA-N 0 3 220.360 3.386 20 0 BGADHN Fc1cccc(CNCc2cccs2)c1 ZINC000020138851 347408956 /nfs/dbraw/zinc/40/89/56/347408956.db2.gz BRIRVMSVDAEDLH-UHFFFAOYSA-N 0 3 221.300 3.177 20 0 BGADHN Fc1ccc(CNCc2cccs2)cc1F ZINC000020138866 356998505 /nfs/dbraw/zinc/99/85/05/356998505.db2.gz ICHPDNADSBAVGC-UHFFFAOYSA-N 0 3 239.290 3.316 20 0 BGADHN C[C@@H](NCc1cccs1)c1cccc(O)c1 ZINC000020139231 175903465 /nfs/dbraw/zinc/90/34/65/175903465.db2.gz YPEUSPPGEDSYAV-SNVBAGLBSA-N 0 3 233.336 3.305 20 0 BGADHN C[C@H](NCc1cccs1)c1cccc(O)c1 ZINC000020139234 387075603 /nfs/dbraw/zinc/07/56/03/387075603.db2.gz YPEUSPPGEDSYAV-JTQLQIEISA-N 0 3 233.336 3.305 20 0 BGADHN Cc1cc(C)c(CNCc2ccncc2)c(C)c1 ZINC000020139684 384581816 /nfs/dbraw/zinc/58/18/16/384581816.db2.gz PGMBSYOTERJTMQ-UHFFFAOYSA-N 0 3 240.350 3.297 20 0 BGADHN Cc1ccc([C@@H](C)NCc2ccncc2)cc1 ZINC000020139805 384580794 /nfs/dbraw/zinc/58/07/94/384580794.db2.gz FOYVHJSCECQLCS-CYBMUJFWSA-N 0 3 226.323 3.241 20 0 BGADHN Cc1ccc([C@H](C)NCc2ccncc2)cc1 ZINC000020139807 178892992 /nfs/dbraw/zinc/89/29/92/178892992.db2.gz FOYVHJSCECQLCS-ZDUSSCGKSA-N 0 3 226.323 3.241 20 0 BGADHN CC[C@@H](NCc1ccncc1)c1ccccc1 ZINC000020139809 342971802 /nfs/dbraw/zinc/97/18/02/342971802.db2.gz YDEJGFZHJSYHIC-OAHLLOKOSA-N 0 3 226.323 3.323 20 0 BGADHN CC[C@H](NCc1ccncc1)c1ccccc1 ZINC000020139812 342971726 /nfs/dbraw/zinc/97/17/26/342971726.db2.gz YDEJGFZHJSYHIC-HNNXBMFYSA-N 0 3 226.323 3.323 20 0 BGADHN Cc1ccc([C@@H](C)NCc2ccncc2)s1 ZINC000020140292 643312059 /nfs/dbraw/zinc/31/20/59/643312059.db2.gz ZMLUCQFTJJETEF-LLVKDONJSA-N 0 3 232.352 3.302 20 0 BGADHN Cc1ccc([C@H](C)NCc2ccncc2)s1 ZINC000020140294 643056525 /nfs/dbraw/zinc/05/65/25/643056525.db2.gz ZMLUCQFTJJETEF-NSHDSACASA-N 0 3 232.352 3.302 20 0 BGADHN Cc1cc(C)c(CNCc2cccnc2)c(C)c1 ZINC000020140597 384585699 /nfs/dbraw/zinc/58/56/99/384585699.db2.gz BNEUTJCUCZBCSB-UHFFFAOYSA-N 0 3 240.350 3.297 20 0 BGADHN Cc1ccc([C@@H](C)NCc2cccnc2)cc1 ZINC000020140722 384584408 /nfs/dbraw/zinc/58/44/08/384584408.db2.gz CKEFYEYXKMDWLR-CYBMUJFWSA-N 0 3 226.323 3.241 20 0 BGADHN Cc1ccc([C@H](C)NCc2cccnc2)cc1 ZINC000020140724 384585714 /nfs/dbraw/zinc/58/57/14/384585714.db2.gz CKEFYEYXKMDWLR-ZDUSSCGKSA-N 0 3 226.323 3.241 20 0 BGADHN CC[C@@H](NCc1cccnc1)c1ccccc1 ZINC000020140726 342971608 /nfs/dbraw/zinc/97/16/08/342971608.db2.gz BZYJAGPTEAGPKX-OAHLLOKOSA-N 0 3 226.323 3.323 20 0 BGADHN CC[C@H](NCc1cccnc1)c1ccccc1 ZINC000020140728 171531064 /nfs/dbraw/zinc/53/10/64/171531064.db2.gz BZYJAGPTEAGPKX-HNNXBMFYSA-N 0 3 226.323 3.323 20 0 BGADHN CC[C@@H](NCc1cccnc1)c1ccc(F)cc1 ZINC000020140927 342971661 /nfs/dbraw/zinc/97/16/61/342971661.db2.gz OJTNZMQSJNJVKQ-OAHLLOKOSA-N 0 3 244.313 3.462 20 0 BGADHN CC[C@H](NCc1cccnc1)c1ccc(F)cc1 ZINC000020140929 171531241 /nfs/dbraw/zinc/53/12/41/171531241.db2.gz OJTNZMQSJNJVKQ-HNNXBMFYSA-N 0 3 244.313 3.462 20 0 BGADHN Cc1ccccc1[C@@H](C)NCc1cccnc1 ZINC000020140997 179321091 /nfs/dbraw/zinc/32/10/91/179321091.db2.gz RMJTYWDYUJEIBC-CYBMUJFWSA-N 0 3 226.323 3.241 20 0 BGADHN Cc1ccccc1[C@H](C)NCc1cccnc1 ZINC000020140999 179339431 /nfs/dbraw/zinc/33/94/31/179339431.db2.gz RMJTYWDYUJEIBC-ZDUSSCGKSA-N 0 3 226.323 3.241 20 0 BGADHN CCc1ccc([C@@H](C)NCc2cccnc2)cc1 ZINC000020141206 384586117 /nfs/dbraw/zinc/58/61/17/384586117.db2.gz HEMBKHBCHZTNFG-CYBMUJFWSA-N 0 3 240.350 3.495 20 0 BGADHN CCc1ccc([C@H](C)NCc2cccnc2)cc1 ZINC000020141208 384584886 /nfs/dbraw/zinc/58/48/86/384584886.db2.gz HEMBKHBCHZTNFG-ZDUSSCGKSA-N 0 3 240.350 3.495 20 0 BGADHN Cc1ccc([C@@H](C)NCc2cccnc2)s1 ZINC000020141222 384585998 /nfs/dbraw/zinc/58/59/98/384585998.db2.gz FDPBFEQCSIXCMQ-LLVKDONJSA-N 0 3 232.352 3.302 20 0 BGADHN Cc1ccc([C@H](C)NCc2cccnc2)s1 ZINC000020141224 384584815 /nfs/dbraw/zinc/58/48/15/384584815.db2.gz FDPBFEQCSIXCMQ-NSHDSACASA-N 0 3 232.352 3.302 20 0 BGADHN CC[C@@H](NCc1cccnc1)c1cccs1 ZINC000020141347 170903087 /nfs/dbraw/zinc/90/30/87/170903087.db2.gz PYXJGVGMPAOSTQ-GFCCVEGCSA-N 0 3 232.352 3.384 20 0 BGADHN CC[C@H](NCc1cccnc1)c1cccs1 ZINC000020141349 171531071 /nfs/dbraw/zinc/53/10/71/171531071.db2.gz PYXJGVGMPAOSTQ-LBPRGKRZSA-N 0 3 232.352 3.384 20 0 BGADHN COCCCN[C@@H](C)c1ccccc1Cl ZINC000020142315 174249277 /nfs/dbraw/zinc/24/92/77/174249277.db2.gz SYXYTSFCINPXIE-JTQLQIEISA-N 0 3 227.735 3.027 20 0 BGADHN COCCCN[C@H](C)c1ccccc1Cl ZINC000020142317 174249977 /nfs/dbraw/zinc/24/99/77/174249977.db2.gz SYXYTSFCINPXIE-SNVBAGLBSA-N 0 3 227.735 3.027 20 0 BGADHN COCCCN[C@@H](C)c1cc2ccccc2o1 ZINC000020142749 174249490 /nfs/dbraw/zinc/24/94/90/174249490.db2.gz DCLJEKYPDRUSFF-NSHDSACASA-N 0 3 233.311 3.120 20 0 BGADHN COCCCN[C@H](C)c1cc2ccccc2o1 ZINC000020142751 174250756 /nfs/dbraw/zinc/25/07/56/174250756.db2.gz DCLJEKYPDRUSFF-LLVKDONJSA-N 0 3 233.311 3.120 20 0 BGADHN CCCCCCN[C@@H](C)c1ccccn1 ZINC000020143577 520093393 /nfs/dbraw/zinc/09/33/93/520093393.db2.gz QZHFSKQNIQYNDW-LBPRGKRZSA-N 0 3 206.333 3.313 20 0 BGADHN CCCCCCN[C@H](C)c1ccccn1 ZINC000020143579 520095557 /nfs/dbraw/zinc/09/55/57/520095557.db2.gz QZHFSKQNIQYNDW-GFCCVEGCSA-N 0 3 206.333 3.313 20 0 BGADHN Cc1ccc(CN[C@@H](C)CCc2ccco2)o1 ZINC000020144614 342971751 /nfs/dbraw/zinc/97/17/51/342971751.db2.gz LSCGJXHOOURWOA-NSHDSACASA-N 0 3 233.311 3.292 20 0 BGADHN Cc1ccc(CN[C@H](C)CCc2ccco2)o1 ZINC000020144616 342971599 /nfs/dbraw/zinc/97/15/99/342971599.db2.gz LSCGJXHOOURWOA-LLVKDONJSA-N 0 3 233.311 3.292 20 0 BGADHN C[C@@H](CCc1ccco1)N[C@@H](C)c1ccccn1 ZINC000020144732 342971732 /nfs/dbraw/zinc/97/17/32/342971732.db2.gz XSGORLUOIWOAMN-STQMWFEESA-N 0 3 244.338 3.347 20 0 BGADHN C[C@H](CCc1ccco1)N[C@@H](C)c1ccccn1 ZINC000020144734 342971743 /nfs/dbraw/zinc/97/17/43/342971743.db2.gz XSGORLUOIWOAMN-OLZOCXBDSA-N 0 3 244.338 3.347 20 0 BGADHN C[C@@H](N[C@@H](C)CCc1ccco1)c1ccccn1 ZINC000020144736 342971688 /nfs/dbraw/zinc/97/16/88/342971688.db2.gz XSGORLUOIWOAMN-QWHCGFSZSA-N 0 3 244.338 3.347 20 0 BGADHN C[C@H](CCc1ccco1)N[C@H](C)c1ccccn1 ZINC000020144738 342971837 /nfs/dbraw/zinc/97/18/37/342971837.db2.gz XSGORLUOIWOAMN-CHWSQXEVSA-N 0 3 244.338 3.347 20 0 BGADHN Cc1ccc([C@H](C)NCCCOCC(C)C)o1 ZINC000020147255 342972205 /nfs/dbraw/zinc/97/22/05/342972205.db2.gz MUOJIBHAYVMSMI-ZDUSSCGKSA-N 0 3 239.359 3.301 20 0 BGADHN Cc1ccc([C@@H](C)NCCCOCC(C)C)o1 ZINC000020147256 384585980 /nfs/dbraw/zinc/58/59/80/384585980.db2.gz MUOJIBHAYVMSMI-CYBMUJFWSA-N 0 3 239.359 3.301 20 0 BGADHN C[C@@H](NCc1ccc(O)cc1)c1cccs1 ZINC000020148153 363089217 /nfs/dbraw/zinc/08/92/17/363089217.db2.gz ORUAQLIIXVKRSL-SNVBAGLBSA-N 0 3 233.336 3.305 20 0 BGADHN C[C@H](NCc1ccc(O)cc1)c1cccs1 ZINC000020148154 363088836 /nfs/dbraw/zinc/08/88/36/363088836.db2.gz ORUAQLIIXVKRSL-JTQLQIEISA-N 0 3 233.336 3.305 20 0 BGADHN C[C@@H](NCc1cccc(O)c1)c1cccs1 ZINC000020148494 356999458 /nfs/dbraw/zinc/99/94/58/356999458.db2.gz NUFBFIRJXWREGU-SNVBAGLBSA-N 0 3 233.336 3.305 20 0 BGADHN C[C@H](NCc1cccc(O)c1)c1cccs1 ZINC000020148495 387075371 /nfs/dbraw/zinc/07/53/71/387075371.db2.gz NUFBFIRJXWREGU-JTQLQIEISA-N 0 3 233.336 3.305 20 0 BGADHN COc1ccc(CN[C@@H](C)c2cccs2)cn1 ZINC000020186185 342975124 /nfs/dbraw/zinc/97/51/24/342975124.db2.gz VBNNNFJQRLWEKT-JTQLQIEISA-N 0 3 248.351 3.003 20 0 BGADHN COc1ccc(CN[C@H](C)c2cccs2)cn1 ZINC000020186187 175111379 /nfs/dbraw/zinc/11/13/79/175111379.db2.gz VBNNNFJQRLWEKT-SNVBAGLBSA-N 0 3 248.351 3.003 20 0 BGADHN C[C@@H](NCCCO)c1cc(Cl)ccc1Cl ZINC000020188024 384588427 /nfs/dbraw/zinc/58/84/27/384588427.db2.gz RJHSXIQHDDWACA-MRVPVSSYSA-N 0 3 248.153 3.026 20 0 BGADHN C[C@H](NCCCO)c1cc(Cl)ccc1Cl ZINC000020188026 176844793 /nfs/dbraw/zinc/84/47/93/176844793.db2.gz RJHSXIQHDDWACA-QMMMGPOBSA-N 0 3 248.153 3.026 20 0 BGADHN C[C@@H](NCCCO)c1ccc(Cl)cc1Cl ZINC000020188028 384590548 /nfs/dbraw/zinc/59/05/48/384590548.db2.gz SLMWOYMBXGNBPS-MRVPVSSYSA-N 0 3 248.153 3.026 20 0 BGADHN C[C@H](NCCCO)c1ccc(Cl)cc1Cl ZINC000020188030 384589659 /nfs/dbraw/zinc/58/96/59/384589659.db2.gz SLMWOYMBXGNBPS-QMMMGPOBSA-N 0 3 248.153 3.026 20 0 BGADHN CCc1c2ccccc2oc1[C@@H](C)NCCCO ZINC000020188215 342975616 /nfs/dbraw/zinc/97/56/16/342975616.db2.gz DMVUHPBQYAJHFU-LLVKDONJSA-N 0 3 247.338 3.028 20 0 BGADHN CCc1c2ccccc2oc1[C@H](C)NCCCO ZINC000020188217 342975604 /nfs/dbraw/zinc/97/56/04/342975604.db2.gz DMVUHPBQYAJHFU-NSHDSACASA-N 0 3 247.338 3.028 20 0 BGADHN C[C@@H](NCCCO)c1ccc(Cl)c(Cl)c1 ZINC000020188411 385423693 /nfs/dbraw/zinc/42/36/93/385423693.db2.gz FGKDUMDAECUAPK-MRVPVSSYSA-N 0 3 248.153 3.026 20 0 BGADHN C[C@H](NCCCO)c1ccc(Cl)c(Cl)c1 ZINC000020188413 176844376 /nfs/dbraw/zinc/84/43/76/176844376.db2.gz FGKDUMDAECUAPK-QMMMGPOBSA-N 0 3 248.153 3.026 20 0 BGADHN Cc1ccc([C@@H](C)NCCCOCC2CC2)o1 ZINC000020190681 384593411 /nfs/dbraw/zinc/59/34/11/384593411.db2.gz LZHXDZZXAJZGJV-GFCCVEGCSA-N 0 3 237.343 3.055 20 0 BGADHN Cc1ccc([C@H](C)NCCCOCC2CC2)o1 ZINC000020190687 342975569 /nfs/dbraw/zinc/97/55/69/342975569.db2.gz LZHXDZZXAJZGJV-LBPRGKRZSA-N 0 3 237.343 3.055 20 0 BGADHN c1coc(CNCCCOC2CCCCC2)c1 ZINC000020191384 342975760 /nfs/dbraw/zinc/97/57/60/342975760.db2.gz BTSUGOSAUYYLQT-UHFFFAOYSA-N 0 3 237.343 3.109 20 0 BGADHN CC(C)OCCCN[C@@H](C)c1ccccc1F ZINC000020198034 167224431 /nfs/dbraw/zinc/22/44/31/167224431.db2.gz BHBLONCLWDYRDQ-LBPRGKRZSA-N 0 3 239.334 3.291 20 0 BGADHN CC(C)OCCCN[C@H](C)c1ccccc1F ZINC000020198036 167222299 /nfs/dbraw/zinc/22/22/99/167222299.db2.gz BHBLONCLWDYRDQ-GFCCVEGCSA-N 0 3 239.334 3.291 20 0 BGADHN Cc1ccc([C@H](C)NCCCOC(C)C)o1 ZINC000020198064 342976051 /nfs/dbraw/zinc/97/60/51/342976051.db2.gz AEVXSHVVHQBUIF-LBPRGKRZSA-N 0 3 225.332 3.054 20 0 BGADHN Cc1ccc([C@@H](C)NCCCOC(C)C)o1 ZINC000020198066 384595986 /nfs/dbraw/zinc/59/59/86/384595986.db2.gz AEVXSHVVHQBUIF-GFCCVEGCSA-N 0 3 225.332 3.054 20 0 BGADHN CC(C)OCCCNCc1cc2ccccc2o1 ZINC000020198431 167224223 /nfs/dbraw/zinc/22/42/23/167224223.db2.gz KHDAAOPERRRWIU-UHFFFAOYSA-N 0 3 247.338 3.338 20 0 BGADHN c1cc2c(o1)CCC[C@H]2NCc1ccccc1 ZINC000020204800 384599183 /nfs/dbraw/zinc/59/91/83/384599183.db2.gz OJSIPCXORFEYDU-CQSZACIVSA-N 0 3 227.307 3.447 20 0 BGADHN c1cc2c(o1)CCC[C@@H]2NCc1ccccc1 ZINC000020204802 384600567 /nfs/dbraw/zinc/60/05/67/384600567.db2.gz OJSIPCXORFEYDU-AWEZNQCLSA-N 0 3 227.307 3.447 20 0 BGADHN C[C@H](NCc1ccc([C@H]2C[C@H]2C)o1)[C@@H]1CCCO1 ZINC000020206154 633810105 /nfs/dbraw/zinc/81/01/05/633810105.db2.gz BQVJXNSNUXTGBP-XWUBHJNHSA-N 0 3 249.354 3.060 20 0 BGADHN C[C@@H](N[C@@H](C)c1ccccc1F)[C@@H]1CCCO1 ZINC000020206659 342977237 /nfs/dbraw/zinc/97/72/37/342977237.db2.gz RCHJAMOZYBUGEN-WDMOLILDSA-N 0 3 237.318 3.044 20 0 BGADHN C[C@H](N[C@@H](C)[C@@H]1CCCO1)c1ccccc1F ZINC000020206663 384600469 /nfs/dbraw/zinc/60/04/69/384600469.db2.gz RCHJAMOZYBUGEN-MJVIPROJSA-N 0 3 237.318 3.044 20 0 BGADHN C[C@@H](N[C@@H](C)c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000020206703 342977126 /nfs/dbraw/zinc/97/71/26/342977126.db2.gz RESLWEBVGXUAIA-WDMOLILDSA-N 0 3 237.318 3.044 20 0 BGADHN C[C@H](N[C@@H](C)[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000020206707 384600233 /nfs/dbraw/zinc/60/02/33/384600233.db2.gz RESLWEBVGXUAIA-MJVIPROJSA-N 0 3 237.318 3.044 20 0 BGADHN C[C@@H](NCc1cc2ccccc2o1)[C@@H]1CCCO1 ZINC000020208348 384598889 /nfs/dbraw/zinc/59/88/89/384598889.db2.gz GYFWDBKBKVGFNN-RISCZKNCSA-N 0 3 245.322 3.090 20 0 BGADHN C[C@H](NCc1cc2ccccc2o1)[C@@H]1CCCO1 ZINC000020208352 384599211 /nfs/dbraw/zinc/59/92/11/384599211.db2.gz GYFWDBKBKVGFNN-FZMZJTMJSA-N 0 3 245.322 3.090 20 0 BGADHN C[C@@H](NCc1cc2ccccc2o1)[C@H]1CCCO1 ZINC000020208355 384600254 /nfs/dbraw/zinc/60/02/54/384600254.db2.gz GYFWDBKBKVGFNN-BXUZGUMPSA-N 0 3 245.322 3.090 20 0 BGADHN C[C@H](NCc1cc2ccccc2o1)[C@H]1CCCO1 ZINC000020208359 384600017 /nfs/dbraw/zinc/60/00/17/384600017.db2.gz GYFWDBKBKVGFNN-SMDDNHRTSA-N 0 3 245.322 3.090 20 0 BGADHN C[C@@H](NCc1ccc(Cl)s1)[C@@H]1CCCO1 ZINC000020208379 385442406 /nfs/dbraw/zinc/44/24/06/385442406.db2.gz CWKWMRPLAKBYRG-SCZZXKLOSA-N 0 3 245.775 3.059 20 0 BGADHN C[C@H](NCc1ccc(Cl)s1)[C@@H]1CCCO1 ZINC000020208383 385443280 /nfs/dbraw/zinc/44/32/80/385443280.db2.gz CWKWMRPLAKBYRG-WPRPVWTQSA-N 0 3 245.775 3.059 20 0 BGADHN C[C@@H](NCc1ccc(Cl)s1)[C@H]1CCCO1 ZINC000020208387 175898826 /nfs/dbraw/zinc/89/88/26/175898826.db2.gz CWKWMRPLAKBYRG-PSASIEDQSA-N 0 3 245.775 3.059 20 0 BGADHN C[C@H](NCc1ccc(Cl)s1)[C@H]1CCCO1 ZINC000020208391 385442334 /nfs/dbraw/zinc/44/23/34/385442334.db2.gz CWKWMRPLAKBYRG-WCBMZHEXSA-N 0 3 245.775 3.059 20 0 BGADHN NCc1cccc(NC(=O)CC2CCCCC2)c1 ZINC000020248727 385189580 /nfs/dbraw/zinc/18/95/80/385189580.db2.gz KOIFVHUAPIYPNV-UHFFFAOYSA-N 0 3 246.354 3.054 20 0 BGADHN Cc1noc(C)c1CNC1CCCCCCC1 ZINC000020252933 590093417 /nfs/dbraw/zinc/09/34/17/590093417.db2.gz BKGHQZXBYYCJGU-UHFFFAOYSA-N 0 3 236.359 3.494 20 0 BGADHN Cc1nc(CNC2CCC(C)CC2)cs1 ZINC000020252998 590093358 /nfs/dbraw/zinc/09/33/58/590093358.db2.gz QNDXPFBWHAGLMB-UHFFFAOYSA-N 0 3 224.373 3.120 20 0 BGADHN Cc1nc(CN[C@H]2CCCC[C@H]2C)cs1 ZINC000020253038 347436372 /nfs/dbraw/zinc/43/63/72/347436372.db2.gz PANBHYIYMNTPCU-SKDRFNHKSA-N 0 3 224.373 3.120 20 0 BGADHN Cc1nc(CN[C@H]2CCCC[C@@H]2C)cs1 ZINC000020253039 347436613 /nfs/dbraw/zinc/43/66/13/347436613.db2.gz PANBHYIYMNTPCU-CABZTGNLSA-N 0 3 224.373 3.120 20 0 BGADHN Cc1nc(CN[C@@H]2CCCC[C@H]2C)cs1 ZINC000020253040 347436280 /nfs/dbraw/zinc/43/62/80/347436280.db2.gz PANBHYIYMNTPCU-BXKDBHETSA-N 0 3 224.373 3.120 20 0 BGADHN Cc1nc(CN[C@@H]2CCCC[C@@H]2C)cs1 ZINC000020253041 347436691 /nfs/dbraw/zinc/43/66/91/347436691.db2.gz PANBHYIYMNTPCU-JOYOIKCWSA-N 0 3 224.373 3.120 20 0 BGADHN Cc1nc(CN[C@@H]2CCC[C@@H](C)[C@H]2C)cs1 ZINC000020253088 357002872 /nfs/dbraw/zinc/00/28/72/357002872.db2.gz IUEOYCLLLJVTMW-GIPNMCIBSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1nc(CN[C@@H]2CCC[C@H](C)[C@H]2C)cs1 ZINC000020253089 357003283 /nfs/dbraw/zinc/00/32/83/357003283.db2.gz IUEOYCLLLJVTMW-OPQQBVKSSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1noc(C)c1CNCCC1=CCCCC1 ZINC000020253119 590092829 /nfs/dbraw/zinc/09/28/29/590092829.db2.gz HSBZAXKHALYZFM-UHFFFAOYSA-N 0 3 234.343 3.272 20 0 BGADHN Cc1nc(CNCCC2=CCCCC2)cs1 ZINC000020253120 259392781 /nfs/dbraw/zinc/39/27/81/259392781.db2.gz KGLGJFCQQFKSPW-UHFFFAOYSA-N 0 3 236.384 3.432 20 0 BGADHN Cc1nc(CNCCCc2ccccc2)cs1 ZINC000020253169 342978626 /nfs/dbraw/zinc/97/86/26/342978626.db2.gz BNAIHHDBXLQACF-UHFFFAOYSA-N 0 3 246.379 3.174 20 0 BGADHN Cc1noc(C)c1CN[C@H](C)CCC(C)C ZINC000020253172 386790969 /nfs/dbraw/zinc/79/09/69/386790969.db2.gz WKDIIRDAJNXOTJ-SNVBAGLBSA-N 0 3 224.348 3.206 20 0 BGADHN Cc1noc(C)c1CN[C@@H](C)CCC(C)C ZINC000020253173 386790547 /nfs/dbraw/zinc/79/05/47/386790547.db2.gz WKDIIRDAJNXOTJ-JTQLQIEISA-N 0 3 224.348 3.206 20 0 BGADHN Cc1nc(CN[C@H](C)CCC(C)C)cs1 ZINC000020253174 179972807 /nfs/dbraw/zinc/97/28/07/179972807.db2.gz OAXRFDKSYWLEOO-SNVBAGLBSA-N 0 3 226.389 3.366 20 0 BGADHN Cc1nc(CN[C@@H](C)CCC(C)C)cs1 ZINC000020253175 347436247 /nfs/dbraw/zinc/43/62/47/347436247.db2.gz OAXRFDKSYWLEOO-JTQLQIEISA-N 0 3 226.389 3.366 20 0 BGADHN Cc1noc(C)c1CNC[C@H](C)c1ccccc1 ZINC000020253286 384606821 /nfs/dbraw/zinc/60/68/21/384606821.db2.gz JELGXBUAXFMXDQ-NSHDSACASA-N 0 3 244.338 3.185 20 0 BGADHN Cc1noc(C)c1CNC[C@@H](C)c1ccccc1 ZINC000020253287 384607122 /nfs/dbraw/zinc/60/71/22/384607122.db2.gz JELGXBUAXFMXDQ-LLVKDONJSA-N 0 3 244.338 3.185 20 0 BGADHN Cc1nc(CNC[C@H](C)c2ccccc2)cs1 ZINC000020253288 342978884 /nfs/dbraw/zinc/97/88/84/342978884.db2.gz QIUSFGVVTOTYLN-NSHDSACASA-N 0 3 246.379 3.345 20 0 BGADHN Cc1nc(CNC[C@@H](C)c2ccccc2)cs1 ZINC000020253289 342979113 /nfs/dbraw/zinc/97/91/13/342979113.db2.gz QIUSFGVVTOTYLN-LLVKDONJSA-N 0 3 246.379 3.345 20 0 BGADHN CCCCCCNCc1csc(C)n1 ZINC000020253315 347436731 /nfs/dbraw/zinc/43/67/31/347436731.db2.gz CWWPAVYBJBGBGJ-UHFFFAOYSA-N 0 3 212.362 3.121 20 0 BGADHN Cc1ccc(CN(C)Cc2cccc(N)c2)cc1 ZINC000020264262 356487839 /nfs/dbraw/zinc/48/78/39/356487839.db2.gz NUZBATHPYMJLCT-UHFFFAOYSA-N 0 3 240.350 3.209 20 0 BGADHN CN(Cc1cccc(N)c1)Cc1cccc(F)c1 ZINC000020266327 386798375 /nfs/dbraw/zinc/79/83/75/386798375.db2.gz XOOKVLRENSMZQU-UHFFFAOYSA-N 0 3 244.313 3.040 20 0 BGADHN Cc1cc(CNCc2ccccc2)cc(C)c1O ZINC000020305115 178025982 /nfs/dbraw/zinc/02/59/82/178025982.db2.gz BDWGVGOJBDJZMV-UHFFFAOYSA-N 0 3 241.334 3.299 20 0 BGADHN Cc1cc(CNCc2cccs2)cc(C)c1O ZINC000020305298 178027580 /nfs/dbraw/zinc/02/75/80/178027580.db2.gz PBEBAOQVTHCNNL-UHFFFAOYSA-N 0 3 247.363 3.360 20 0 BGADHN COc1cccc(CNCc2cccc(F)c2)c1 ZINC000020305469 175265784 /nfs/dbraw/zinc/26/57/84/175265784.db2.gz UMKMYMBSIROGOG-UHFFFAOYSA-N 0 3 245.297 3.124 20 0 BGADHN CC(C)[C@@H](C)NCc1ccc(Br)o1 ZINC000020306263 167382585 /nfs/dbraw/zinc/38/25/85/167382585.db2.gz AUPKFQUCBLXELJ-MRVPVSSYSA-N 0 3 246.148 3.176 20 0 BGADHN CC(C)[C@H](C)NCc1ccc(Br)o1 ZINC000020306264 188353401 /nfs/dbraw/zinc/35/34/01/188353401.db2.gz AUPKFQUCBLXELJ-QMMMGPOBSA-N 0 3 246.148 3.176 20 0 BGADHN Cn1cccc1CN[C@@H]1CCCc2ccccc21 ZINC000020359727 371273596 /nfs/dbraw/zinc/27/35/96/371273596.db2.gz RAMQTVDWASJPIJ-MRXNPFEDSA-N 0 3 240.350 3.192 20 0 BGADHN Cn1cccc1CN[C@H]1CCCc2ccccc21 ZINC000020359729 342677658 /nfs/dbraw/zinc/67/76/58/342677658.db2.gz RAMQTVDWASJPIJ-INIZCTEOSA-N 0 3 240.350 3.192 20 0 BGADHN Cc1cc([C@@H](C)NCCc2ccccn2)c(C)o1 ZINC000020438091 178224908 /nfs/dbraw/zinc/22/49/08/178224908.db2.gz HHXPNKFHFVKVPX-GFCCVEGCSA-N 0 3 244.338 3.185 20 0 BGADHN Cc1cc([C@H](C)NCCc2ccccn2)c(C)o1 ZINC000020438094 178248363 /nfs/dbraw/zinc/24/83/63/178248363.db2.gz HHXPNKFHFVKVPX-LBPRGKRZSA-N 0 3 244.338 3.185 20 0 BGADHN Cc1cc([C@H](C)NCCCOC(C)C)c(C)o1 ZINC000020439418 178246806 /nfs/dbraw/zinc/24/68/06/178246806.db2.gz GMRNQHSRTYMIDG-LBPRGKRZSA-N 0 3 239.359 3.362 20 0 BGADHN Cc1cc([C@@H](C)NCCCOC(C)C)c(C)o1 ZINC000020439422 178224713 /nfs/dbraw/zinc/22/47/13/178224713.db2.gz GMRNQHSRTYMIDG-GFCCVEGCSA-N 0 3 239.359 3.362 20 0 BGADHN Cc1cc([C@H](C)N[C@H](C)[C@@H]2CCCO2)c(C)o1 ZINC000020439506 178256521 /nfs/dbraw/zinc/25/65/21/178256521.db2.gz PJDZAGWLECFAEK-WDMOLILDSA-N 0 3 237.343 3.115 20 0 BGADHN Cc1cc([C@H](C)N[C@@H](C)[C@@H]2CCCO2)c(C)o1 ZINC000020439510 178254141 /nfs/dbraw/zinc/25/41/41/178254141.db2.gz PJDZAGWLECFAEK-MJVIPROJSA-N 0 3 237.343 3.115 20 0 BGADHN CC[C@@H](C)[C@@H](N)C(=O)Nc1cccc(C(C)C)c1 ZINC000020475634 356488751 /nfs/dbraw/zinc/48/87/51/356488751.db2.gz QNXXOJMPXSESTB-BXUZGUMPSA-N 0 3 248.370 3.122 20 0 BGADHN CC[C@H](C)[C@@H](N)C(=O)Nc1cccc(C(C)C)c1 ZINC000020475635 171372680 /nfs/dbraw/zinc/37/26/80/171372680.db2.gz QNXXOJMPXSESTB-SMDDNHRTSA-N 0 3 248.370 3.122 20 0 BGADHN CC[C@@H](C)[C@H](N)C(=O)Nc1cccc(C(C)C)c1 ZINC000020475636 342986841 /nfs/dbraw/zinc/98/68/41/342986841.db2.gz QNXXOJMPXSESTB-RISCZKNCSA-N 0 3 248.370 3.122 20 0 BGADHN CC[C@H](C)[C@H](N)C(=O)Nc1cccc(C(C)C)c1 ZINC000020475637 171396561 /nfs/dbraw/zinc/39/65/61/171396561.db2.gz QNXXOJMPXSESTB-FZMZJTMJSA-N 0 3 248.370 3.122 20 0 BGADHN CC(C)C[C@@H](N)C(=O)Nc1cccc(C(C)C)c1 ZINC000020475642 344268709 /nfs/dbraw/zinc/26/87/09/344268709.db2.gz BUFTYAAJVDRTAT-CQSZACIVSA-N 0 3 248.370 3.122 20 0 BGADHN CC(C)C[C@H](N)C(=O)Nc1cccc(C(C)C)c1 ZINC000020475643 188108897 /nfs/dbraw/zinc/10/88/97/188108897.db2.gz BUFTYAAJVDRTAT-AWEZNQCLSA-N 0 3 248.370 3.122 20 0 BGADHN CCCC[C@@H](CC)C(=O)Nc1cccc(CN)c1 ZINC000020481620 487584124 /nfs/dbraw/zinc/58/41/24/487584124.db2.gz WMLSEGHDEVYBKL-CYBMUJFWSA-N 0 3 248.370 3.300 20 0 BGADHN CCCC[C@H](CC)C(=O)Nc1cccc(CN)c1 ZINC000020481622 487583806 /nfs/dbraw/zinc/58/38/06/487583806.db2.gz WMLSEGHDEVYBKL-ZDUSSCGKSA-N 0 3 248.370 3.300 20 0 BGADHN COC(C)(C)C[C@@H](C)NCc1ccccc1F ZINC000020524419 342989628 /nfs/dbraw/zinc/98/96/28/342989628.db2.gz STROYCZBMMUVMB-LLVKDONJSA-N 0 3 239.334 3.119 20 0 BGADHN COC(C)(C)C[C@H](C)NCc1ccccc1F ZINC000020524420 342989646 /nfs/dbraw/zinc/98/96/46/342989646.db2.gz STROYCZBMMUVMB-NSHDSACASA-N 0 3 239.334 3.119 20 0 BGADHN C[C@@H](NC1CC1)c1ccccc1OC(F)F ZINC000021963393 384713032 /nfs/dbraw/zinc/71/30/32/384713032.db2.gz JDBHCMGPQWTXFQ-MRVPVSSYSA-N 0 3 227.254 3.101 20 0 BGADHN C[C@H](NC1CC1)c1ccccc1OC(F)F ZINC000021963398 384712908 /nfs/dbraw/zinc/71/29/08/384712908.db2.gz JDBHCMGPQWTXFQ-QMMMGPOBSA-N 0 3 227.254 3.101 20 0 BGADHN CN(C)Cc1ccc(-c2ccccc2)cc1 ZINC000021988791 384715437 /nfs/dbraw/zinc/71/54/37/384715437.db2.gz PDWSLOFONLBZMC-UHFFFAOYSA-N 0 3 211.308 3.415 20 0 BGADHN CN(C)CCOc1ccc(-c2ccccc2)cc1 ZINC000022003072 343033505 /nfs/dbraw/zinc/03/35/05/343033505.db2.gz BKKDTZAGLJXSDE-UHFFFAOYSA-N 0 3 241.334 3.294 20 0 BGADHN CCN(CC)Cc1cc2ccccc2[nH]1 ZINC000022057950 538935887 /nfs/dbraw/zinc/93/58/87/538935887.db2.gz AUFKZFKQVUVQDW-UHFFFAOYSA-N 0 3 202.301 3.010 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CNC(C)(C)C)o1 ZINC000022173316 385897266 /nfs/dbraw/zinc/89/72/66/385897266.db2.gz RJPBDMUNCUBTGA-KOLCDFICSA-N 0 3 207.317 3.291 20 0 BGADHN C[C@H]1C[C@@H]1c1ccc(CNC(C)(C)C)o1 ZINC000022173319 177351610 /nfs/dbraw/zinc/35/16/10/177351610.db2.gz RJPBDMUNCUBTGA-ONGXEEELSA-N 0 3 207.317 3.291 20 0 BGADHN C[C@@H]1C[C@H]1c1ccc(CNC(C)(C)C)o1 ZINC000022173322 350085265 /nfs/dbraw/zinc/08/52/65/350085265.db2.gz RJPBDMUNCUBTGA-MWLCHTKSSA-N 0 3 207.317 3.291 20 0 BGADHN C[C@H]1C[C@H]1c1ccc(CNC(C)(C)C)o1 ZINC000022173325 188008568 /nfs/dbraw/zinc/00/85/68/188008568.db2.gz RJPBDMUNCUBTGA-GXSJLCMTSA-N 0 3 207.317 3.291 20 0 BGADHN NCc1cccc(NC(=O)CCC2CCCC2)c1 ZINC000022213460 385001380 /nfs/dbraw/zinc/00/13/80/385001380.db2.gz XQFFJIRGGYRDEQ-UHFFFAOYSA-N 0 3 246.354 3.054 20 0 BGADHN C[C@@H](CCc1ccc(O)cc1)NCc1ccco1 ZINC000022223219 343044891 /nfs/dbraw/zinc/04/48/91/343044891.db2.gz PEYVZRNIXPNXBW-LBPRGKRZSA-N 0 3 245.322 3.096 20 0 BGADHN C[C@H](CCc1ccc(O)cc1)NCc1ccco1 ZINC000022223221 343044928 /nfs/dbraw/zinc/04/49/28/343044928.db2.gz PEYVZRNIXPNXBW-GFCCVEGCSA-N 0 3 245.322 3.096 20 0 BGADHN C[C@@H](NC1CCCCC1)c1cscn1 ZINC000022862907 384251816 /nfs/dbraw/zinc/25/18/16/384251816.db2.gz VKTZCTRMAMWMRU-SECBINFHSA-N 0 3 210.346 3.126 20 0 BGADHN C[C@H](NC1CCCCC1)c1cscn1 ZINC000022862911 384251252 /nfs/dbraw/zinc/25/12/52/384251252.db2.gz VKTZCTRMAMWMRU-VIFPVBQESA-N 0 3 210.346 3.126 20 0 BGADHN CCC(CC)N[C@@H](C)c1csc(C)n1 ZINC000022863000 168391921 /nfs/dbraw/zinc/39/19/21/168391921.db2.gz XKOXLGATIRWLEY-QMMMGPOBSA-N 0 3 212.362 3.291 20 0 BGADHN CCC(CC)N[C@H](C)c1csc(C)n1 ZINC000022863005 168392791 /nfs/dbraw/zinc/39/27/91/168392791.db2.gz XKOXLGATIRWLEY-MRVPVSSYSA-N 0 3 212.362 3.291 20 0 BGADHN Cc1nc([C@@H](C)NC2CCCC2)cs1 ZINC000022863066 180036415 /nfs/dbraw/zinc/03/64/15/180036415.db2.gz IXIHMNGBQLXZMX-MRVPVSSYSA-N 0 3 210.346 3.045 20 0 BGADHN Cc1nc([C@H](C)NC2CCCC2)cs1 ZINC000022863071 180048668 /nfs/dbraw/zinc/04/86/68/180048668.db2.gz IXIHMNGBQLXZMX-QMMMGPOBSA-N 0 3 210.346 3.045 20 0 BGADHN Cc1nc([C@@H](C)NC2CCCCC2)cs1 ZINC000022863191 180036342 /nfs/dbraw/zinc/03/63/42/180036342.db2.gz NSFVMCZFPAXWEW-SECBINFHSA-N 0 3 224.373 3.435 20 0 BGADHN Cc1nc([C@H](C)NC2CCCCC2)cs1 ZINC000022863195 180049470 /nfs/dbraw/zinc/04/94/70/180049470.db2.gz NSFVMCZFPAXWEW-VIFPVBQESA-N 0 3 224.373 3.435 20 0 BGADHN C[C@@H](NCCc1ccccc1)c1cscn1 ZINC000022864080 384254221 /nfs/dbraw/zinc/25/42/21/384254221.db2.gz QFLKLRFFCMNQLV-LLVKDONJSA-N 0 3 232.352 3.036 20 0 BGADHN C[C@H](NCCc1ccccc1)c1cscn1 ZINC000022864085 384253389 /nfs/dbraw/zinc/25/33/89/384253389.db2.gz QFLKLRFFCMNQLV-NSHDSACASA-N 0 3 232.352 3.036 20 0 BGADHN Cc1nc([C@@H](C)NCCc2ccccc2)cs1 ZINC000022864385 180034566 /nfs/dbraw/zinc/03/45/66/180034566.db2.gz WFSOTQMQJGZJSE-LLVKDONJSA-N 0 3 246.379 3.345 20 0 BGADHN Cc1nc([C@H](C)NCCc2ccccc2)cs1 ZINC000022864390 180049525 /nfs/dbraw/zinc/04/95/25/180049525.db2.gz WFSOTQMQJGZJSE-NSHDSACASA-N 0 3 246.379 3.345 20 0 BGADHN Cc1ccccc1[C@@H](C)NCc1cccn1C ZINC000026513330 179321762 /nfs/dbraw/zinc/32/17/62/179321762.db2.gz GYMUGUXWDQWYIF-CYBMUJFWSA-N 0 3 228.339 3.184 20 0 BGADHN CC(C)COc1ccc(CN2CCCC2)cc1 ZINC000027528898 259352561 /nfs/dbraw/zinc/35/25/61/259352561.db2.gz RXFNCROOGUKSBL-UHFFFAOYSA-N 0 3 233.355 3.317 20 0 BGADHN CCOc1ccccc1CN1CCCCCC1 ZINC000027834184 368239753 /nfs/dbraw/zinc/23/97/53/368239753.db2.gz PFKNLXZHGSDUEM-UHFFFAOYSA-N 0 3 233.355 3.461 20 0 BGADHN COc1cccc(CN2CCCCCC2)c1OC ZINC000027905724 175257048 /nfs/dbraw/zinc/25/70/48/175257048.db2.gz NEDABPBZRFSKOG-UHFFFAOYSA-N 0 3 249.354 3.080 20 0 BGADHN CC1CCN(C/C=C/c2ccccc2)CC1 ZINC000027911715 168177721 /nfs/dbraw/zinc/17/77/21/168177721.db2.gz VSQICQQFSSTKTR-VMPITWQZSA-N 0 3 215.340 3.432 20 0 BGADHN CN(C)Cc1ccc(NC(=O)CC(C)(C)C)cc1 ZINC000030771314 368248833 /nfs/dbraw/zinc/24/88/33/368248833.db2.gz OJKBMPFJCQSUNU-UHFFFAOYSA-N 0 3 248.370 3.123 20 0 BGADHN COc1ccccc1C[C@@H](C)NCc1ccco1 ZINC000031283463 387341407 /nfs/dbraw/zinc/34/14/07/387341407.db2.gz RNCJWGNMKVTARX-GFCCVEGCSA-N 0 3 245.322 3.009 20 0 BGADHN COc1ccccc1C[C@H](C)NCc1ccco1 ZINC000031283466 175333873 /nfs/dbraw/zinc/33/38/73/175333873.db2.gz RNCJWGNMKVTARX-LBPRGKRZSA-N 0 3 245.322 3.009 20 0 BGADHN Cc1nc2ccc(CN3CCCC3)cc2s1 ZINC000031893879 387503587 /nfs/dbraw/zinc/50/35/87/387503587.db2.gz QUUFLQWWLXNUJA-UHFFFAOYSA-N 0 3 232.352 3.201 20 0 BGADHN c1cc(CNC2CC2)cc(OC2CCCC2)c1 ZINC000032016096 183348429 /nfs/dbraw/zinc/34/84/29/183348429.db2.gz PXAWYPPSFSACDA-UHFFFAOYSA-N 0 3 231.339 3.260 20 0 BGADHN Cc1cccc(C)c1OCCNCc1ccco1 ZINC000032102170 179046876 /nfs/dbraw/zinc/04/68/76/179046876.db2.gz MTCXVPJFWGMSIS-UHFFFAOYSA-N 0 3 245.322 3.065 20 0 BGADHN Cc1ccc(OCCNCc2ccco2)c(C)c1 ZINC000032102174 398168391 /nfs/dbraw/zinc/16/83/91/398168391.db2.gz RFQNVZUPOQRQLP-UHFFFAOYSA-N 0 3 245.322 3.065 20 0 BGADHN Cc1cc(C)cc(OCCNCc2ccco2)c1 ZINC000032102179 641740359 /nfs/dbraw/zinc/74/03/59/641740359.db2.gz JLQHQNHMAUUVEV-UHFFFAOYSA-N 0 3 245.322 3.065 20 0 BGADHN Cc1cccc(OCCNCc2cccs2)c1 ZINC000032103011 179168664 /nfs/dbraw/zinc/16/86/64/179168664.db2.gz YKFWDAXFPWGEIH-UHFFFAOYSA-N 0 3 247.363 3.225 20 0 BGADHN CCCCOc1cc(CNC2CC2)ccc1OC ZINC000032104781 168915186 /nfs/dbraw/zinc/91/51/86/168915186.db2.gz CUYMKLOKYXRHMZ-UHFFFAOYSA-N 0 3 249.354 3.126 20 0 BGADHN Cc1ccc2[nH]c3c(c2c1)CN(CC(C)C)CC3 ZINC000032192874 350192260 /nfs/dbraw/zinc/19/22/60/350192260.db2.gz OJFPSTNSHCSEQW-UHFFFAOYSA-N 0 3 242.366 3.490 20 0 BGADHN COc1ccccc1/C=C\CN1CCCCC1 ZINC000033294341 175315619 /nfs/dbraw/zinc/31/56/19/175315619.db2.gz DJQMGZNVMINYJS-CLFYSBASSA-N 0 3 231.339 3.194 20 0 BGADHN Clc1cccc(CCNCc2ccco2)c1 ZINC000033465660 354603829 /nfs/dbraw/zinc/60/38/29/354603829.db2.gz RTRAYXBIFFMXEB-UHFFFAOYSA-N 0 3 235.714 3.265 20 0 BGADHN C[C@H](c1ccccc1)N(C)Cc1cccc(N)c1 ZINC000033469047 177039512 /nfs/dbraw/zinc/03/95/12/177039512.db2.gz ZINVBVIMRVWRSB-CYBMUJFWSA-N 0 3 240.350 3.462 20 0 BGADHN C[C@@H](c1ccccc1)N(C)Cc1cccc(N)c1 ZINC000033469049 176020215 /nfs/dbraw/zinc/02/02/15/176020215.db2.gz ZINVBVIMRVWRSB-ZDUSSCGKSA-N 0 3 240.350 3.462 20 0 BGADHN COc1cccc(CNCc2ccccc2C)c1 ZINC000033469303 175265857 /nfs/dbraw/zinc/26/58/57/175265857.db2.gz CKNODPLCTSOZII-UHFFFAOYSA-N 0 3 241.334 3.293 20 0 BGADHN Cc1cccc(CNCCOc2ccccc2)c1 ZINC000033469319 179092725 /nfs/dbraw/zinc/09/27/25/179092725.db2.gz RDHUSABGNGDQSY-UHFFFAOYSA-N 0 3 241.334 3.164 20 0 BGADHN Cc1ccccc1OCCNCc1ccccc1 ZINC000033469322 179311690 /nfs/dbraw/zinc/31/16/90/179311690.db2.gz WBEAMCVSKNGCJJ-UHFFFAOYSA-N 0 3 241.334 3.164 20 0 BGADHN Cc1ccc(OCCNCc2ccccc2)cc1 ZINC000033469324 178812325 /nfs/dbraw/zinc/81/23/25/178812325.db2.gz ALTKOEOAPAHJQG-UHFFFAOYSA-N 0 3 241.334 3.164 20 0 BGADHN CCCCN1CCc2cc(OCC)ccc2C1 ZINC000033641869 355750691 /nfs/dbraw/zinc/75/06/91/355750691.db2.gz QOGQXJSETUNKMJ-UHFFFAOYSA-N 0 3 233.355 3.244 20 0 BGADHN c1cc2c(s1)CCN(CCc1ccccc1)C2 ZINC000033756555 183394092 /nfs/dbraw/zinc/39/40/92/183394092.db2.gz RBJAIOCVZDGPSC-UHFFFAOYSA-N 0 3 243.375 3.349 20 0 BGADHN C=CCN1CC=C(c2c[nH]c3ccccc23)CC1 ZINC000033866901 642412640 /nfs/dbraw/zinc/41/26/40/642412640.db2.gz JLTVLHNCRAWREX-UHFFFAOYSA-N 0 3 238.334 3.443 20 0 BGADHN C[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000033868184 176024229 /nfs/dbraw/zinc/02/42/29/176024229.db2.gz RPVUBMKNGJFFKX-JTQLQIEISA-N 0 3 209.720 3.497 20 0 BGADHN C[C@H](c1ccccc1Cl)N1CCCC1 ZINC000033868185 177041928 /nfs/dbraw/zinc/04/19/28/177041928.db2.gz RPVUBMKNGJFFKX-SNVBAGLBSA-N 0 3 209.720 3.497 20 0 BGADHN C[C@@H](c1ccc(Cl)cc1)N1CCCC1 ZINC000033868186 176014348 /nfs/dbraw/zinc/01/43/48/176014348.db2.gz JKMPEVUAFONETO-JTQLQIEISA-N 0 3 209.720 3.497 20 0 BGADHN C[C@H](c1ccc(Cl)cc1)N1CCCC1 ZINC000033868187 177032773 /nfs/dbraw/zinc/03/27/73/177032773.db2.gz JKMPEVUAFONETO-SNVBAGLBSA-N 0 3 209.720 3.497 20 0 BGADHN CCCCCCN1CCc2ncccc2C1 ZINC000033872389 368262464 /nfs/dbraw/zinc/26/24/64/368262464.db2.gz MVINEJKFZSGOGA-UHFFFAOYSA-N 0 3 218.344 3.020 20 0 BGADHN C[C@@H](c1ccc(F)cc1)N1CCCCC1 ZINC000033961782 538952923 /nfs/dbraw/zinc/95/29/23/538952923.db2.gz FFLFLZLFAXOGSN-NSHDSACASA-N 0 3 207.292 3.373 20 0 BGADHN C[C@H](c1ccc(F)cc1)N1CCCCC1 ZINC000033961783 538952746 /nfs/dbraw/zinc/95/27/46/538952746.db2.gz FFLFLZLFAXOGSN-LLVKDONJSA-N 0 3 207.292 3.373 20 0 BGADHN C[C@H](N[C@@H](CO)c1ccccc1)c1ccccc1 ZINC000034120053 385272997 /nfs/dbraw/zinc/27/29/97/385272997.db2.gz AAVFDIYAYZSKDC-BBRMVZONSA-N 0 3 241.334 3.071 20 0 BGADHN C[C@@H](N[C@@H](CO)c1ccccc1)c1ccccc1 ZINC000034120054 343265147 /nfs/dbraw/zinc/26/51/47/343265147.db2.gz AAVFDIYAYZSKDC-CJNGLKHVSA-N 0 3 241.334 3.071 20 0 BGADHN CCCN(CCC)Cc1ccccc1F ZINC000034481548 355896122 /nfs/dbraw/zinc/89/61/22/355896122.db2.gz ICUHNEQHOUSMEZ-UHFFFAOYSA-N 0 3 209.308 3.448 20 0 BGADHN CCCOc1c(CNC2CC2)cccc1OCC ZINC000034652047 169313547 /nfs/dbraw/zinc/31/35/47/169313547.db2.gz RSXJBAVLYHVPMV-UHFFFAOYSA-N 0 3 249.354 3.126 20 0 BGADHN CC(C)NCc1cc(Cl)ccc1OC(F)F ZINC000034652645 136322466 /nfs/dbraw/zinc/32/24/66/136322466.db2.gz ITVJLRPYBMGHQI-UHFFFAOYSA-N 0 3 249.688 3.439 20 0 BGADHN CCNCc1cc(Cl)ccc1OC(F)F ZINC000034652686 170125713 /nfs/dbraw/zinc/12/57/13/170125713.db2.gz HIUBICDNLYQYNG-UHFFFAOYSA-N 0 3 235.661 3.051 20 0 BGADHN FC(F)Oc1ccc(Cl)cc1CNC1CC1 ZINC000034652688 398014596 /nfs/dbraw/zinc/01/45/96/398014596.db2.gz UAXOVZXBHVJRSP-UHFFFAOYSA-N 0 3 247.672 3.193 20 0 BGADHN CCCNCc1cc(Cl)ccc1OC(F)F ZINC000034652690 398014450 /nfs/dbraw/zinc/01/44/50/398014450.db2.gz JTMDWDCROOQDPW-UHFFFAOYSA-N 0 3 249.688 3.441 20 0 BGADHN CCCNCc1ccccc1OCC(F)(F)F ZINC000034658845 136322396 /nfs/dbraw/zinc/32/23/96/136322396.db2.gz DDDORFHDCSKUSD-UHFFFAOYSA-N 0 3 247.260 3.127 20 0 BGADHN Cc1nc(CN[C@@H]2CCC[C@H](C)[C@@H]2C)cs1 ZINC000034677936 136331155 /nfs/dbraw/zinc/33/11/55/136331155.db2.gz IUEOYCLLLJVTMW-OUJBWJOFSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1nc(CN[C@@H]2CCC[C@@H](C)[C@@H]2C)cs1 ZINC000034677939 136331137 /nfs/dbraw/zinc/33/11/37/136331137.db2.gz IUEOYCLLLJVTMW-GBIKHYSHSA-N 0 3 238.400 3.366 20 0 BGADHN CC[C@@H](C)Oc1cc(CNC2CC2)ccc1OC ZINC000034817530 351292160 /nfs/dbraw/zinc/29/21/60/351292160.db2.gz FKBTYLXONAUBMP-LLVKDONJSA-N 0 3 249.354 3.125 20 0 BGADHN CC[C@H](C)Oc1cc(CNC2CC2)ccc1OC ZINC000034817532 351291925 /nfs/dbraw/zinc/29/19/25/351291925.db2.gz FKBTYLXONAUBMP-NSHDSACASA-N 0 3 249.354 3.125 20 0 BGADHN CC(C)NCc1c(Cl)cccc1-n1ccnc1 ZINC000034825231 167117674 /nfs/dbraw/zinc/11/76/74/167117674.db2.gz ACXYZJAHAZAYAQ-UHFFFAOYSA-N 0 3 249.745 3.024 20 0 BGADHN CC(C)NCc1ccc(Br)cc1F ZINC000034938191 167118897 /nfs/dbraw/zinc/11/88/97/167118897.db2.gz KYQQBGDHCPTLNF-UHFFFAOYSA-N 0 3 246.123 3.086 20 0 BGADHN CCN[C@@H](c1ccccc1)c1ccc(OC)cc1 ZINC000034938342 170148486 /nfs/dbraw/zinc/14/84/86/170148486.db2.gz VOSWFKVCEUSVHR-INIZCTEOSA-N 0 3 241.334 3.394 20 0 BGADHN CCN[C@H](c1ccccc1)c1ccc(OC)cc1 ZINC000034938343 170164729 /nfs/dbraw/zinc/16/47/29/170164729.db2.gz VOSWFKVCEUSVHR-MRXNPFEDSA-N 0 3 241.334 3.394 20 0 BGADHN Cc1ccsc1CNCc1cccc(F)c1 ZINC000034938909 351351372 /nfs/dbraw/zinc/35/13/72/351351372.db2.gz LHHIMQRDXCOYRT-UHFFFAOYSA-N 0 3 235.327 3.485 20 0 BGADHN Cc1ccc(NC2CCN(C)CC2)c(Cl)c1 ZINC000034957164 351363077 /nfs/dbraw/zinc/36/30/77/351363077.db2.gz AVNLAJWMSYTUKV-UHFFFAOYSA-N 0 3 238.762 3.155 20 0 BGADHN Cc1ccc(CNCc2cccc(F)c2)s1 ZINC000034957230 351363234 /nfs/dbraw/zinc/36/32/34/351363234.db2.gz CIALDUGYYCRLMA-UHFFFAOYSA-N 0 3 235.327 3.485 20 0 BGADHN Fc1cccc(CNCc2cccc(F)c2)c1 ZINC000034957240 351363066 /nfs/dbraw/zinc/36/30/66/351363066.db2.gz JMBGQDIREXLAPG-UHFFFAOYSA-N 0 3 233.261 3.255 20 0 BGADHN CC1CCN(CCC(=O)c2ccc(F)cc2)CC1 ZINC000034981168 168179132 /nfs/dbraw/zinc/17/91/32/168179132.db2.gz VLUCDNMZMTYADA-UHFFFAOYSA-N 0 3 249.329 3.130 20 0 BGADHN Cc1cc(C)c(CNCc2cccnc2)cc1C ZINC000034991008 383822551 /nfs/dbraw/zinc/82/25/51/383822551.db2.gz SFHMBTCMBXBBMW-UHFFFAOYSA-N 0 3 240.350 3.297 20 0 BGADHN COCCNCc1ccc(-c2ccccc2)s1 ZINC000034994403 174335351 /nfs/dbraw/zinc/33/53/51/174335351.db2.gz OQAIRALRXKBNPO-UHFFFAOYSA-N 0 3 247.363 3.151 20 0 BGADHN C[C@H](N[C@@H]1CCSC1)c1ccc(F)cc1F ZINC000035010776 343282709 /nfs/dbraw/zinc/28/27/09/343282709.db2.gz YIQJUJHHWIQLBE-WCBMZHEXSA-N 0 3 243.322 3.121 20 0 BGADHN C[C@@H](N[C@@H]1CCSC1)c1ccc(F)cc1F ZINC000035010778 343282718 /nfs/dbraw/zinc/28/27/18/343282718.db2.gz YIQJUJHHWIQLBE-PSASIEDQSA-N 0 3 243.322 3.121 20 0 BGADHN C[C@H](N[C@H]1CCSC1)c1ccc(F)cc1F ZINC000035010780 343282866 /nfs/dbraw/zinc/28/28/66/343282866.db2.gz YIQJUJHHWIQLBE-WPRPVWTQSA-N 0 3 243.322 3.121 20 0 BGADHN C[C@@H](N[C@H]1CCSC1)c1ccc(F)cc1F ZINC000035010782 343282726 /nfs/dbraw/zinc/28/27/26/343282726.db2.gz YIQJUJHHWIQLBE-SCZZXKLOSA-N 0 3 243.322 3.121 20 0 BGADHN C[C@H](N[C@@H]1CCc2ccccc2C1)c1ccco1 ZINC000035012625 356670914 /nfs/dbraw/zinc/67/09/14/356670914.db2.gz YBSYYWNSWMCNGH-SWLSCSKDSA-N 0 3 241.334 3.488 20 0 BGADHN C[C@H](N[C@H]1CCc2ccccc2C1)c1ccco1 ZINC000035012627 356671168 /nfs/dbraw/zinc/67/11/68/356671168.db2.gz YBSYYWNSWMCNGH-WFASDCNBSA-N 0 3 241.334 3.488 20 0 BGADHN C[C@@H](N[C@H]1CCc2ccccc2C1)c1ccco1 ZINC000035012629 356671197 /nfs/dbraw/zinc/67/11/97/356671197.db2.gz YBSYYWNSWMCNGH-DOMZBBRYSA-N 0 3 241.334 3.488 20 0 BGADHN CCC[C@H](NCc1cnn(C)c1)c1ccccc1 ZINC000035013210 343282787 /nfs/dbraw/zinc/28/27/87/343282787.db2.gz CBXOMAOIWRVFJI-HNNXBMFYSA-N 0 3 243.354 3.051 20 0 BGADHN CCC[C@@H](NCc1cnn(C)c1)c1ccccc1 ZINC000035013211 383824338 /nfs/dbraw/zinc/82/43/38/383824338.db2.gz CBXOMAOIWRVFJI-OAHLLOKOSA-N 0 3 243.354 3.051 20 0 BGADHN CC(C)NCc1ccc(CSC(F)F)o1 ZINC000035014431 167119022 /nfs/dbraw/zinc/11/90/22/167119022.db2.gz DMNZVODMXSHWAZ-UHFFFAOYSA-N 0 3 235.299 3.233 20 0 BGADHN CC(C)CNCc1ccc(CSC(F)F)o1 ZINC000035014622 167008409 /nfs/dbraw/zinc/00/84/09/167008409.db2.gz QCLZMYYEKZGCAE-UHFFFAOYSA-N 0 3 249.326 3.481 20 0 BGADHN CCCNCc1ccc(CSC(F)F)o1 ZINC000035014659 169267110 /nfs/dbraw/zinc/26/71/10/169267110.db2.gz WVSDMMHDSLWDAB-UHFFFAOYSA-N 0 3 235.299 3.235 20 0 BGADHN CSCCCN[C@@H](C)c1ccc(F)cc1F ZINC000035015053 383825402 /nfs/dbraw/zinc/82/54/02/383825402.db2.gz FVQBDXIJZZULRJ-VIFPVBQESA-N 0 3 245.338 3.369 20 0 BGADHN CSCCCN[C@H](C)c1ccc(F)cc1F ZINC000035015055 383823750 /nfs/dbraw/zinc/82/37/50/383823750.db2.gz FVQBDXIJZZULRJ-SECBINFHSA-N 0 3 245.338 3.369 20 0 BGADHN CCc1oc2ccccc2c1CNC1CC1 ZINC000035017791 172112564 /nfs/dbraw/zinc/11/25/64/172112564.db2.gz WHPGWHGRYMUDBD-UHFFFAOYSA-N 0 3 215.296 3.247 20 0 BGADHN CC1CCN(CCCC(=O)c2ccccc2)CC1 ZINC000035039982 168179448 /nfs/dbraw/zinc/17/94/48/168179448.db2.gz SNXLKBUTPGGEFL-UHFFFAOYSA-N 0 3 245.366 3.381 20 0 BGADHN c1ccc([C@H](NCc2ccccn2)C2CC2)cc1 ZINC000035053148 183430163 /nfs/dbraw/zinc/43/01/63/183430163.db2.gz BLFWFVBSPJYTCC-INIZCTEOSA-N 0 3 238.334 3.323 20 0 BGADHN c1ccc([C@@H](NCc2ccccn2)C2CC2)cc1 ZINC000035053150 383825564 /nfs/dbraw/zinc/82/55/64/383825564.db2.gz BLFWFVBSPJYTCC-MRXNPFEDSA-N 0 3 238.334 3.323 20 0 BGADHN c1ccc([C@H](NCc2cccnc2)C2CC2)cc1 ZINC000035053156 636519679 /nfs/dbraw/zinc/51/96/79/636519679.db2.gz CVKMGZYUDFOVLB-INIZCTEOSA-N 0 3 238.334 3.323 20 0 BGADHN c1ccc([C@@H](NCc2cccnc2)C2CC2)cc1 ZINC000035053158 636519420 /nfs/dbraw/zinc/51/94/20/636519420.db2.gz CVKMGZYUDFOVLB-MRXNPFEDSA-N 0 3 238.334 3.323 20 0 BGADHN c1ccc([C@H](NCc2ccncc2)C2CC2)cc1 ZINC000035053189 183430449 /nfs/dbraw/zinc/43/04/49/183430449.db2.gz ALVUFFWVHNSRNU-INIZCTEOSA-N 0 3 238.334 3.323 20 0 BGADHN CC[C@H](C)NCc1csc(-c2ccccn2)n1 ZINC000035054542 171344313 /nfs/dbraw/zinc/34/43/13/171344313.db2.gz GODKLCPQFDYEIK-JTQLQIEISA-N 0 3 247.367 3.093 20 0 BGADHN CCCCNCc1csc(-c2ccccn2)n1 ZINC000035054559 711790243 /nfs/dbraw/zinc/79/02/43/711790243.db2.gz SSIOXLCBZBYMPT-UHFFFAOYSA-N 0 3 247.367 3.095 20 0 BGADHN COCCN[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000035055276 387553703 /nfs/dbraw/zinc/55/37/03/387553703.db2.gz UOZXOCSIIGBKKC-CYBMUJFWSA-N 0 3 239.746 3.027 20 0 BGADHN COCCN[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000035055277 387553870 /nfs/dbraw/zinc/55/38/70/387553870.db2.gz UOZXOCSIIGBKKC-ZDUSSCGKSA-N 0 3 239.746 3.027 20 0 BGADHN Cc1ccccc1CN(C)Cc1cccc(N)c1 ZINC000035063756 179268937 /nfs/dbraw/zinc/26/89/37/179268937.db2.gz QBUOFYIVRRKKEN-UHFFFAOYSA-N 0 3 240.350 3.209 20 0 BGADHN Cc1cccc(CN(C)Cc2cccc(N)c2)c1 ZINC000035063759 179067021 /nfs/dbraw/zinc/06/70/21/179067021.db2.gz ZVUJUXRBCZCBTN-UHFFFAOYSA-N 0 3 240.350 3.209 20 0 BGADHN CNC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000035101348 173321175 /nfs/dbraw/zinc/32/11/75/173321175.db2.gz OHVLGGYLHKMDAC-UHFFFAOYSA-N 0 3 233.261 3.274 20 0 BGADHN CN[C@H](c1cccs1)c1ccc(F)cc1 ZINC000035117213 357971171 /nfs/dbraw/zinc/97/11/71/357971171.db2.gz VDCKTGSZIBPVSB-LBPRGKRZSA-N 0 3 221.300 3.196 20 0 BGADHN CN[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000035117215 357970711 /nfs/dbraw/zinc/97/07/11/357970711.db2.gz VDCKTGSZIBPVSB-GFCCVEGCSA-N 0 3 221.300 3.196 20 0 BGADHN Clc1ccccc1CNC1CCSCC1 ZINC000035120783 342883951 /nfs/dbraw/zinc/88/39/51/342883951.db2.gz JZXOANXOFAGSLN-UHFFFAOYSA-N 0 3 241.787 3.325 20 0 BGADHN Clc1ccccc1CNCCc1ccco1 ZINC000035121427 358453916 /nfs/dbraw/zinc/45/39/16/358453916.db2.gz TXJFNEQRLUUYNM-UHFFFAOYSA-N 0 3 235.714 3.265 20 0 BGADHN Clc1cccc(CNCCc2ccco2)c1 ZINC000035121448 358453846 /nfs/dbraw/zinc/45/38/46/358453846.db2.gz HLOWVJPHNCWVJA-UHFFFAOYSA-N 0 3 235.714 3.265 20 0 BGADHN CCOc1ccccc1CNCCc1ccco1 ZINC000035121463 358454439 /nfs/dbraw/zinc/45/44/39/358454439.db2.gz WHYAYWOMUWAWFZ-UHFFFAOYSA-N 0 3 245.322 3.011 20 0 BGADHN c1coc(CCNCc2cc3ccccc3o2)c1 ZINC000035121649 358453829 /nfs/dbraw/zinc/45/38/29/358453829.db2.gz MJXLLCILLWVIGK-UHFFFAOYSA-N 0 3 241.290 3.358 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CNCCc2ccco2)o1 ZINC000035121819 387550166 /nfs/dbraw/zinc/55/01/66/387550166.db2.gz SEKQTEQFIDXMHD-RISCZKNCSA-N 0 3 245.322 3.328 20 0 BGADHN C[C@H]1C[C@@H]1c1ccc(CNCCc2ccco2)o1 ZINC000035121820 177351165 /nfs/dbraw/zinc/35/11/65/177351165.db2.gz SEKQTEQFIDXMHD-FZMZJTMJSA-N 0 3 245.322 3.328 20 0 BGADHN C[C@@H]1C[C@H]1c1ccc(CNCCc2ccco2)o1 ZINC000035121821 387549522 /nfs/dbraw/zinc/54/95/22/387549522.db2.gz SEKQTEQFIDXMHD-BXUZGUMPSA-N 0 3 245.322 3.328 20 0 BGADHN C[C@H]1C[C@H]1c1ccc(CNCCc2ccco2)o1 ZINC000035121822 358453953 /nfs/dbraw/zinc/45/39/53/358453953.db2.gz SEKQTEQFIDXMHD-SMDDNHRTSA-N 0 3 245.322 3.328 20 0 BGADHN Clc1ccc(CNCCc2ccco2)s1 ZINC000035121840 180580350 /nfs/dbraw/zinc/58/03/50/180580350.db2.gz WKQMMRUUGATJFA-UHFFFAOYSA-N 0 3 241.743 3.327 20 0 BGADHN C[C@H](NCc1c(F)cccc1Cl)C1CC1 ZINC000035136398 384402021 /nfs/dbraw/zinc/40/20/21/384402021.db2.gz RKMVIHVHTIURHB-QMMMGPOBSA-N 0 3 227.710 3.367 20 0 BGADHN C[C@@H](NCc1c(F)cccc1Cl)C1CC1 ZINC000035136400 175895161 /nfs/dbraw/zinc/89/51/61/175895161.db2.gz RKMVIHVHTIURHB-MRVPVSSYSA-N 0 3 227.710 3.367 20 0 BGADHN Cc1ccc(CNCCc2cccc(F)c2)o1 ZINC000035137860 343286312 /nfs/dbraw/zinc/28/63/12/343286312.db2.gz NIIXLQMOQLDHOY-UHFFFAOYSA-N 0 3 233.286 3.059 20 0 BGADHN Fc1cccc(CCNCc2ccccc2F)c1 ZINC000035137869 359650509 /nfs/dbraw/zinc/65/05/09/359650509.db2.gz JDZNYDVEQLCZOJ-UHFFFAOYSA-N 0 3 247.288 3.297 20 0 BGADHN C[C@H](NCc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000035141618 176874860 /nfs/dbraw/zinc/87/48/60/176874860.db2.gz AHUFOPICRCOIHP-NRUUGDAUSA-N 0 3 219.328 3.291 20 0 BGADHN C[C@H](NCc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000035141620 383997736 /nfs/dbraw/zinc/99/77/36/383997736.db2.gz AHUFOPICRCOIHP-KWBADKCTSA-N 0 3 219.328 3.291 20 0 BGADHN C[C@H](NCc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000035141623 383834100 /nfs/dbraw/zinc/83/41/00/383834100.db2.gz AHUFOPICRCOIHP-GBIKHYSHSA-N 0 3 219.328 3.291 20 0 BGADHN C[C@H](NCc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000035141624 387555127 /nfs/dbraw/zinc/55/51/27/387555127.db2.gz AHUFOPICRCOIHP-OUJBWJOFSA-N 0 3 219.328 3.291 20 0 BGADHN C[C@H](NCc1ccc(F)cc1Cl)C1CC1 ZINC000035142390 384402370 /nfs/dbraw/zinc/40/23/70/384402370.db2.gz UHCJTEJWPBGJDD-QMMMGPOBSA-N 0 3 227.710 3.367 20 0 BGADHN C[C@@H](NCc1ccc(F)cc1Cl)C1CC1 ZINC000035142393 384400718 /nfs/dbraw/zinc/40/07/18/384400718.db2.gz UHCJTEJWPBGJDD-MRVPVSSYSA-N 0 3 227.710 3.367 20 0 BGADHN CCOCCN[C@@H](C)c1ccccc1Cl ZINC000035151209 384401811 /nfs/dbraw/zinc/40/18/11/384401811.db2.gz GRNWLGLXKYUFFX-JTQLQIEISA-N 0 3 227.735 3.027 20 0 BGADHN CCOCCN[C@H](C)c1ccccc1Cl ZINC000035151210 384401331 /nfs/dbraw/zinc/40/13/31/384401331.db2.gz GRNWLGLXKYUFFX-SNVBAGLBSA-N 0 3 227.735 3.027 20 0 BGADHN CCOCCN[C@@H](C)c1ccc(C(C)C)cc1 ZINC000035151227 387554543 /nfs/dbraw/zinc/55/45/43/387554543.db2.gz YMXGLKFOARDNQA-ZDUSSCGKSA-N 0 3 235.371 3.497 20 0 BGADHN CCOCCN[C@H](C)c1ccc(C(C)C)cc1 ZINC000035151228 387554962 /nfs/dbraw/zinc/55/49/62/387554962.db2.gz YMXGLKFOARDNQA-CYBMUJFWSA-N 0 3 235.371 3.497 20 0 BGADHN CCOCCN[C@@H](C)c1cc2ccccc2o1 ZINC000035151359 383833556 /nfs/dbraw/zinc/83/35/56/383833556.db2.gz YQDTXCWNROXCFD-NSHDSACASA-N 0 3 233.311 3.120 20 0 BGADHN CCOCCN[C@H](C)c1cc2ccccc2o1 ZINC000035151361 383835271 /nfs/dbraw/zinc/83/52/71/383835271.db2.gz YQDTXCWNROXCFD-LLVKDONJSA-N 0 3 233.311 3.120 20 0 BGADHN CCOCCN[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000035151370 387554292 /nfs/dbraw/zinc/55/42/92/387554292.db2.gz OZZJZPKNTDRQLG-ZDUSSCGKSA-N 0 3 247.382 3.253 20 0 BGADHN CCOCCN[C@H](C)c1ccc2c(c1)CCCC2 ZINC000035151372 387555331 /nfs/dbraw/zinc/55/53/31/387555331.db2.gz OZZJZPKNTDRQLG-CYBMUJFWSA-N 0 3 247.382 3.253 20 0 BGADHN CCNCc1csc(-c2ccc(F)cc2)n1 ZINC000035154813 170130995 /nfs/dbraw/zinc/13/09/95/170130995.db2.gz LLNZAGKEPRLUPV-UHFFFAOYSA-N 0 3 236.315 3.059 20 0 BGADHN CC(C)CN[C@@H](c1ccccc1)c1ccncc1 ZINC000035162076 167012460 /nfs/dbraw/zinc/01/24/60/167012460.db2.gz HSJBFVFJSKQMSV-INIZCTEOSA-N 0 3 240.350 3.417 20 0 BGADHN CC(C)CN[C@H](c1ccccc1)c1ccncc1 ZINC000035162077 167012941 /nfs/dbraw/zinc/01/29/41/167012941.db2.gz HSJBFVFJSKQMSV-MRXNPFEDSA-N 0 3 240.350 3.417 20 0 BGADHN CC(C)N[C@@H](c1ccccc1)c1ccncc1 ZINC000035174591 167134454 /nfs/dbraw/zinc/13/44/54/167134454.db2.gz XCDHHQVYGXQZNN-HNNXBMFYSA-N 0 3 226.323 3.169 20 0 BGADHN CC(C)N[C@H](c1ccccc1)c1ccncc1 ZINC000035174595 167140552 /nfs/dbraw/zinc/14/05/52/167140552.db2.gz XCDHHQVYGXQZNN-OAHLLOKOSA-N 0 3 226.323 3.169 20 0 BGADHN COc1ccc(Cl)cc1CN[C@@H](C)C1CC1 ZINC000035180228 175120580 /nfs/dbraw/zinc/12/05/80/175120580.db2.gz KFOHVNAMOUNXSY-VIFPVBQESA-N 0 3 239.746 3.237 20 0 BGADHN COc1ccc(Cl)cc1CN[C@H](C)C1CC1 ZINC000035180229 175120801 /nfs/dbraw/zinc/12/08/01/175120801.db2.gz KFOHVNAMOUNXSY-SECBINFHSA-N 0 3 239.746 3.237 20 0 BGADHN C[C@H](NC[C@H](O)c1ccccc1)c1cccs1 ZINC000035188097 383836675 /nfs/dbraw/zinc/83/66/75/383836675.db2.gz RHOXYRKUYFEMTJ-AAEUAGOBSA-N 0 3 247.363 3.132 20 0 BGADHN C[C@@H](NC[C@H](O)c1ccccc1)c1cccs1 ZINC000035188098 343288903 /nfs/dbraw/zinc/28/89/03/343288903.db2.gz RHOXYRKUYFEMTJ-YPMHNXCESA-N 0 3 247.363 3.132 20 0 BGADHN C[C@H](NC[C@@H](O)c1ccccc1)c1cccs1 ZINC000035188099 383836705 /nfs/dbraw/zinc/83/67/05/383836705.db2.gz RHOXYRKUYFEMTJ-WCQYABFASA-N 0 3 247.363 3.132 20 0 BGADHN C[C@@H](NC[C@@H](O)c1ccccc1)c1cccs1 ZINC000035188100 383840947 /nfs/dbraw/zinc/84/09/47/383840947.db2.gz RHOXYRKUYFEMTJ-DGCLKSJQSA-N 0 3 247.363 3.132 20 0 BGADHN Cc1cc(NC[C@@H]2CCCO2)c2ccccc2n1 ZINC000035206339 178167677 /nfs/dbraw/zinc/16/76/77/178167677.db2.gz FGOMWHORPZBEPV-LBPRGKRZSA-N 0 3 242.322 3.134 20 0 BGADHN Cc1cc(NC[C@H]2CCCO2)c2ccccc2n1 ZINC000035206340 178170767 /nfs/dbraw/zinc/17/07/67/178170767.db2.gz FGOMWHORPZBEPV-GFCCVEGCSA-N 0 3 242.322 3.134 20 0 BGADHN CCOCCCNc1cc(C)nc2ccccc21 ZINC000035206371 170382954 /nfs/dbraw/zinc/38/29/54/170382954.db2.gz RFQICLZFXVVYOG-UHFFFAOYSA-N 0 3 244.338 3.382 20 0 BGADHN Cc1cc(NCC2CC2)c2ccccc2n1 ZINC000035206618 178158821 /nfs/dbraw/zinc/15/88/21/178158821.db2.gz GUNSKMVBPVPYOP-UHFFFAOYSA-N 0 3 212.296 3.365 20 0 BGADHN Fc1cccc(CNC2CCCCC2)c1F ZINC000035223208 356420296 /nfs/dbraw/zinc/42/02/96/356420296.db2.gz BUSVMZFDRVWULV-UHFFFAOYSA-N 0 3 225.282 3.387 20 0 BGADHN Fc1cccc(CNCCc2ccccc2)c1F ZINC000035223211 356420655 /nfs/dbraw/zinc/42/06/55/356420655.db2.gz TYRLKHMWGCDTJG-UHFFFAOYSA-N 0 3 247.288 3.297 20 0 BGADHN CCC[C@@H](C)NCc1cccc(F)c1F ZINC000035223569 356420377 /nfs/dbraw/zinc/42/03/77/356420377.db2.gz IMZCGLQOCWSUOT-SECBINFHSA-N 0 3 213.271 3.243 20 0 BGADHN CCC[C@H](C)NCc1cccc(F)c1F ZINC000035223571 356420632 /nfs/dbraw/zinc/42/06/32/356420632.db2.gz IMZCGLQOCWSUOT-VIFPVBQESA-N 0 3 213.271 3.243 20 0 BGADHN CCNCc1ccc(-c2ccc(C)cc2)o1 ZINC000035250209 170126108 /nfs/dbraw/zinc/12/61/08/170126108.db2.gz CVHILYRBMZHENH-UHFFFAOYSA-N 0 3 215.296 3.365 20 0 BGADHN CC(C)NCc1csc(Br)c1 ZINC000035251171 167121038 /nfs/dbraw/zinc/12/10/38/167121038.db2.gz CXPCGIWDPIHDAN-UHFFFAOYSA-N 0 3 234.162 3.009 20 0 BGADHN Cc1ccc(CN[C@H](C)Cc2cccs2)o1 ZINC000035254126 178630141 /nfs/dbraw/zinc/63/01/41/178630141.db2.gz VRAFACHXXNMUBP-SNVBAGLBSA-N 0 3 235.352 3.370 20 0 BGADHN CSCCCN[C@@H](C)c1cc(F)ccc1F ZINC000035256277 387562472 /nfs/dbraw/zinc/56/24/72/387562472.db2.gz WCTIOONLALQPNA-VIFPVBQESA-N 0 3 245.338 3.369 20 0 BGADHN CSCCCN[C@H](C)c1cc(F)ccc1F ZINC000035256278 262841513 /nfs/dbraw/zinc/84/15/13/262841513.db2.gz WCTIOONLALQPNA-SECBINFHSA-N 0 3 245.338 3.369 20 0 BGADHN Cc1c([C@@H](C)N[C@@H](C)c2ccccc2)cnn1C ZINC000035276624 387565569 /nfs/dbraw/zinc/56/55/69/387565569.db2.gz OYWCAFTVPDFJTL-NWDGAFQWSA-N 0 3 243.354 3.140 20 0 BGADHN Cc1c([C@H](C)N[C@@H](C)c2ccccc2)cnn1C ZINC000035276626 387565494 /nfs/dbraw/zinc/56/54/94/387565494.db2.gz OYWCAFTVPDFJTL-RYUDHWBXSA-N 0 3 243.354 3.140 20 0 BGADHN Cc1c([C@@H](C)N[C@H](C)c2ccccc2)cnn1C ZINC000035276628 387566019 /nfs/dbraw/zinc/56/60/19/387566019.db2.gz OYWCAFTVPDFJTL-VXGBXAGGSA-N 0 3 243.354 3.140 20 0 BGADHN Cc1c([C@H](C)N[C@H](C)c2ccccc2)cnn1C ZINC000035276631 387565730 /nfs/dbraw/zinc/56/57/30/387565730.db2.gz OYWCAFTVPDFJTL-NEPJUHHUSA-N 0 3 243.354 3.140 20 0 BGADHN C[C@H](NC[C@@H]1CCCO1)c1ccc(Cl)s1 ZINC000035285936 383848041 /nfs/dbraw/zinc/84/80/41/383848041.db2.gz ZMSZZUJJCCAGKQ-IUCAKERBSA-N 0 3 245.775 3.231 20 0 BGADHN C[C@@H](NC[C@@H]1CCCO1)c1ccc(Cl)s1 ZINC000035285937 383848555 /nfs/dbraw/zinc/84/85/55/383848555.db2.gz ZMSZZUJJCCAGKQ-BDAKNGLRSA-N 0 3 245.775 3.231 20 0 BGADHN C[C@H](NC[C@H]1CCCO1)c1ccc(Cl)s1 ZINC000035285938 383846940 /nfs/dbraw/zinc/84/69/40/383846940.db2.gz ZMSZZUJJCCAGKQ-DTWKUNHWSA-N 0 3 245.775 3.231 20 0 BGADHN C[C@@H](NC[C@H]1CCCO1)c1ccc(Cl)s1 ZINC000035285940 383849149 /nfs/dbraw/zinc/84/91/49/383849149.db2.gz ZMSZZUJJCCAGKQ-RKDXNWHRSA-N 0 3 245.775 3.231 20 0 BGADHN CCN(Cc1cccs1)Cc1cccc(N)c1 ZINC000035364301 356705093 /nfs/dbraw/zinc/70/50/93/356705093.db2.gz HEEGIHWKOKTNGU-UHFFFAOYSA-N 0 3 246.379 3.352 20 0 BGADHN C[C@@H](CCc1ccccc1)NCc1nccs1 ZINC000035404056 343296313 /nfs/dbraw/zinc/29/63/13/343296313.db2.gz CIDAHURKNDOXRX-LBPRGKRZSA-N 0 3 246.379 3.254 20 0 BGADHN C[C@H](CCc1ccccc1)NCc1nccs1 ZINC000035404059 343296322 /nfs/dbraw/zinc/29/63/22/343296322.db2.gz CIDAHURKNDOXRX-GFCCVEGCSA-N 0 3 246.379 3.254 20 0 BGADHN CN[C@H](c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000035463878 398091991 /nfs/dbraw/zinc/09/19/91/398091991.db2.gz GUIRBBSZUMPLSK-OAHLLOKOSA-N 0 3 245.297 3.143 20 0 BGADHN CN[C@@H](c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000035463879 398091777 /nfs/dbraw/zinc/09/17/77/398091777.db2.gz GUIRBBSZUMPLSK-HNNXBMFYSA-N 0 3 245.297 3.143 20 0 BGADHN CN[C@@H](c1ccccc1)c1cccc(F)c1 ZINC000035465277 398091798 /nfs/dbraw/zinc/09/17/98/398091798.db2.gz AYSAIVJSDXMSPC-AWEZNQCLSA-N 0 3 215.271 3.135 20 0 BGADHN CN[C@H](c1ccccc1)c1cccc(F)c1 ZINC000035465280 398092086 /nfs/dbraw/zinc/09/20/86/398092086.db2.gz AYSAIVJSDXMSPC-CQSZACIVSA-N 0 3 215.271 3.135 20 0 BGADHN CN[C@@H](c1ccc(C)cc1)c1ccc(OC)cc1 ZINC000035465967 387574799 /nfs/dbraw/zinc/57/47/99/387574799.db2.gz PVJVVEUZSZAZCN-INIZCTEOSA-N 0 3 241.334 3.312 20 0 BGADHN CN[C@H](c1ccc(C)cc1)c1ccc(OC)cc1 ZINC000035465969 387575048 /nfs/dbraw/zinc/57/50/48/387575048.db2.gz PVJVVEUZSZAZCN-MRXNPFEDSA-N 0 3 241.334 3.312 20 0 BGADHN CCN[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000035540102 170143842 /nfs/dbraw/zinc/14/38/42/170143842.db2.gz ZQIXMKYOSHTCCM-JTQLQIEISA-N 0 3 235.224 3.429 20 0 BGADHN CCN[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000035540103 170160933 /nfs/dbraw/zinc/16/09/33/170160933.db2.gz ZQIXMKYOSHTCCM-SNVBAGLBSA-N 0 3 235.224 3.429 20 0 BGADHN CCN[C@@H](CC(F)(F)F)c1ccccc1 ZINC000035540654 170144364 /nfs/dbraw/zinc/14/43/64/170144364.db2.gz VLEKQIJEAXGCPF-JTQLQIEISA-N 0 3 217.234 3.290 20 0 BGADHN CCN[C@H](CC(F)(F)F)c1ccccc1 ZINC000035540655 170161128 /nfs/dbraw/zinc/16/11/28/170161128.db2.gz VLEKQIJEAXGCPF-SNVBAGLBSA-N 0 3 217.234 3.290 20 0 BGADHN CCN[C@@H](c1cc(F)ccc1F)C(C)C ZINC000035543473 170147477 /nfs/dbraw/zinc/14/74/77/170147477.db2.gz XLNJCHCYBHKIHY-GFCCVEGCSA-N 0 3 213.271 3.271 20 0 BGADHN CCN[C@H](c1cc(F)ccc1F)C(C)C ZINC000035543475 170163503 /nfs/dbraw/zinc/16/35/03/170163503.db2.gz XLNJCHCYBHKIHY-LBPRGKRZSA-N 0 3 213.271 3.271 20 0 BGADHN CCN[C@@H](c1ccc(F)cc1F)C(C)C ZINC000035547317 170147030 /nfs/dbraw/zinc/14/70/30/170147030.db2.gz CFENNQOMQCUHCE-GFCCVEGCSA-N 0 3 213.271 3.271 20 0 BGADHN CCN[C@H](c1ccc(F)cc1F)C(C)C ZINC000035547319 170164240 /nfs/dbraw/zinc/16/42/40/170164240.db2.gz CFENNQOMQCUHCE-LBPRGKRZSA-N 0 3 213.271 3.271 20 0 BGADHN CCC[C@H](NCC)c1ccc(F)cc1F ZINC000035547320 342890095 /nfs/dbraw/zinc/89/00/95/342890095.db2.gz ACVJVJQDUBJNOW-LBPRGKRZSA-N 0 3 213.271 3.416 20 0 BGADHN CCC[C@@H](NCC)c1ccc(F)cc1F ZINC000035547322 384411109 /nfs/dbraw/zinc/41/11/09/384411109.db2.gz ACVJVJQDUBJNOW-GFCCVEGCSA-N 0 3 213.271 3.416 20 0 BGADHN CCCN[C@@H](CC)c1cc(F)ccc1F ZINC000035580107 169278329 /nfs/dbraw/zinc/27/83/29/169278329.db2.gz BAAFCRBAABSTMY-LBPRGKRZSA-N 0 3 213.271 3.416 20 0 BGADHN CCCN[C@H](CC)c1cc(F)ccc1F ZINC000035580109 169288208 /nfs/dbraw/zinc/28/82/08/169288208.db2.gz BAAFCRBAABSTMY-GFCCVEGCSA-N 0 3 213.271 3.416 20 0 BGADHN CCCN[C@@H](CC)c1ccc(F)cc1F ZINC000035581912 169277897 /nfs/dbraw/zinc/27/78/97/169277897.db2.gz RDESLBTZMDBWLH-LBPRGKRZSA-N 0 3 213.271 3.416 20 0 BGADHN CCCN[C@H](CC)c1ccc(F)cc1F ZINC000035581913 169288564 /nfs/dbraw/zinc/28/85/64/169288564.db2.gz RDESLBTZMDBWLH-GFCCVEGCSA-N 0 3 213.271 3.416 20 0 BGADHN C[C@H](O)CN[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000035601605 343298722 /nfs/dbraw/zinc/29/87/22/343298722.db2.gz NDEVMIUMCSNKIN-YUMQZZPRSA-N 0 3 248.153 3.025 20 0 BGADHN C[C@@H](O)CN[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000035601606 176856919 /nfs/dbraw/zinc/85/69/19/176856919.db2.gz NDEVMIUMCSNKIN-SFYZADRCSA-N 0 3 248.153 3.025 20 0 BGADHN C[C@@H](NC[C@H](C)O)c1ccc(Cl)c(Cl)c1 ZINC000035601607 343298949 /nfs/dbraw/zinc/29/89/49/343298949.db2.gz NDEVMIUMCSNKIN-JGVFFNPUSA-N 0 3 248.153 3.025 20 0 BGADHN C[C@@H](O)CN[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000035601608 343298978 /nfs/dbraw/zinc/29/89/78/343298978.db2.gz NDEVMIUMCSNKIN-HTQZYQBOSA-N 0 3 248.153 3.025 20 0 BGADHN CCc1c2ccccc2oc1[C@@H](C)NC[C@@H](C)O ZINC000035601729 343298895 /nfs/dbraw/zinc/29/88/95/343298895.db2.gz NURUSPPSLJPGCH-GHMZBOCLSA-N 0 3 247.338 3.027 20 0 BGADHN CCc1c2ccccc2oc1[C@H](C)NC[C@@H](C)O ZINC000035601730 171744676 /nfs/dbraw/zinc/74/46/76/171744676.db2.gz NURUSPPSLJPGCH-MNOVXSKESA-N 0 3 247.338 3.027 20 0 BGADHN CCc1c2ccccc2oc1[C@@H](C)NC[C@H](C)O ZINC000035601731 343298921 /nfs/dbraw/zinc/29/89/21/343298921.db2.gz NURUSPPSLJPGCH-WDEREUQCSA-N 0 3 247.338 3.027 20 0 BGADHN CCc1c2ccccc2oc1[C@H](C)NC[C@H](C)O ZINC000035601732 343298793 /nfs/dbraw/zinc/29/87/93/343298793.db2.gz NURUSPPSLJPGCH-QWRGUYRKSA-N 0 3 247.338 3.027 20 0 BGADHN C[C@H](O)CN[C@@H](C)c1ccc(Cl)cc1Cl ZINC000035601913 343298941 /nfs/dbraw/zinc/29/89/41/343298941.db2.gz GNBVLBQFQOUTJB-YUMQZZPRSA-N 0 3 248.153 3.025 20 0 BGADHN C[C@@H](O)CN[C@@H](C)c1ccc(Cl)cc1Cl ZINC000035601914 383862631 /nfs/dbraw/zinc/86/26/31/383862631.db2.gz GNBVLBQFQOUTJB-SFYZADRCSA-N 0 3 248.153 3.025 20 0 BGADHN C[C@@H](NC[C@H](C)O)c1ccc(Cl)cc1Cl ZINC000035601915 343298925 /nfs/dbraw/zinc/29/89/25/343298925.db2.gz GNBVLBQFQOUTJB-JGVFFNPUSA-N 0 3 248.153 3.025 20 0 BGADHN C[C@@H](O)CN[C@H](C)c1ccc(Cl)cc1Cl ZINC000035601916 343299004 /nfs/dbraw/zinc/29/90/04/343299004.db2.gz GNBVLBQFQOUTJB-HTQZYQBOSA-N 0 3 248.153 3.025 20 0 BGADHN C[C@H](O)CN[C@@H](C)c1cc(Cl)ccc1Cl ZINC000035601917 343298828 /nfs/dbraw/zinc/29/88/28/343298828.db2.gz MGYGFQOASFZFCW-YUMQZZPRSA-N 0 3 248.153 3.025 20 0 BGADHN C[C@@H](O)CN[C@@H](C)c1cc(Cl)ccc1Cl ZINC000035601918 383863115 /nfs/dbraw/zinc/86/31/15/383863115.db2.gz MGYGFQOASFZFCW-SFYZADRCSA-N 0 3 248.153 3.025 20 0 BGADHN C[C@@H](NC[C@H](C)O)c1cc(Cl)ccc1Cl ZINC000035601919 343298990 /nfs/dbraw/zinc/29/89/90/343298990.db2.gz MGYGFQOASFZFCW-JGVFFNPUSA-N 0 3 248.153 3.025 20 0 BGADHN C[C@@H](O)CN[C@H](C)c1cc(Cl)ccc1Cl ZINC000035601920 343298899 /nfs/dbraw/zinc/29/88/99/343298899.db2.gz MGYGFQOASFZFCW-HTQZYQBOSA-N 0 3 248.153 3.025 20 0 BGADHN C[C@@H](CO)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000035602496 343299348 /nfs/dbraw/zinc/29/93/48/343299348.db2.gz AYHGKJCDKDDOFF-YUMQZZPRSA-N 0 3 248.153 3.025 20 0 BGADHN C[C@H](CO)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000035602498 343299332 /nfs/dbraw/zinc/29/93/32/343299332.db2.gz AYHGKJCDKDDOFF-SFYZADRCSA-N 0 3 248.153 3.025 20 0 BGADHN C[C@@H](N[C@@H](C)CO)c1ccc(Cl)c(Cl)c1 ZINC000035602500 343299360 /nfs/dbraw/zinc/29/93/60/343299360.db2.gz AYHGKJCDKDDOFF-JGVFFNPUSA-N 0 3 248.153 3.025 20 0 BGADHN C[C@H](CO)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000035602502 343299288 /nfs/dbraw/zinc/29/92/88/343299288.db2.gz AYHGKJCDKDDOFF-HTQZYQBOSA-N 0 3 248.153 3.025 20 0 BGADHN CCc1c2ccccc2oc1[C@@H](C)N[C@@H](C)CO ZINC000035602781 343299778 /nfs/dbraw/zinc/29/97/78/343299778.db2.gz SEFVLTNXYURIHA-WDEREUQCSA-N 0 3 247.338 3.027 20 0 BGADHN CCc1c2ccccc2oc1[C@H](C)N[C@@H](C)CO ZINC000035602783 343299718 /nfs/dbraw/zinc/29/97/18/343299718.db2.gz SEFVLTNXYURIHA-QWRGUYRKSA-N 0 3 247.338 3.027 20 0 BGADHN CCc1c2ccccc2oc1[C@@H](C)N[C@H](C)CO ZINC000035602785 343299745 /nfs/dbraw/zinc/29/97/45/343299745.db2.gz SEFVLTNXYURIHA-GHMZBOCLSA-N 0 3 247.338 3.027 20 0 BGADHN CCc1c2ccccc2oc1[C@H](C)N[C@H](C)CO ZINC000035602787 343299797 /nfs/dbraw/zinc/29/97/97/343299797.db2.gz SEFVLTNXYURIHA-MNOVXSKESA-N 0 3 247.338 3.027 20 0 BGADHN C[C@@H](CO)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000035603153 343299782 /nfs/dbraw/zinc/29/97/82/343299782.db2.gz LSARQSRCQVTFSQ-YUMQZZPRSA-N 0 3 248.153 3.025 20 0 BGADHN C[C@H](CO)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000035603155 343299542 /nfs/dbraw/zinc/29/95/42/343299542.db2.gz LSARQSRCQVTFSQ-SFYZADRCSA-N 0 3 248.153 3.025 20 0 BGADHN C[C@@H](N[C@@H](C)CO)c1ccc(Cl)cc1Cl ZINC000035603157 175758198 /nfs/dbraw/zinc/75/81/98/175758198.db2.gz LSARQSRCQVTFSQ-JGVFFNPUSA-N 0 3 248.153 3.025 20 0 BGADHN C[C@H](CO)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000035603159 343299524 /nfs/dbraw/zinc/29/95/24/343299524.db2.gz LSARQSRCQVTFSQ-HTQZYQBOSA-N 0 3 248.153 3.025 20 0 BGADHN C[C@@H](CO)N[C@@H](C)c1cc(Cl)ccc1Cl ZINC000035603161 343299776 /nfs/dbraw/zinc/29/97/76/343299776.db2.gz IIMVPCCHNYMQGM-YUMQZZPRSA-N 0 3 248.153 3.025 20 0 BGADHN C[C@H](CO)N[C@@H](C)c1cc(Cl)ccc1Cl ZINC000035603163 343299726 /nfs/dbraw/zinc/29/97/26/343299726.db2.gz IIMVPCCHNYMQGM-SFYZADRCSA-N 0 3 248.153 3.025 20 0 BGADHN C[C@@H](N[C@@H](C)CO)c1cc(Cl)ccc1Cl ZINC000035603165 343299734 /nfs/dbraw/zinc/29/97/34/343299734.db2.gz IIMVPCCHNYMQGM-JGVFFNPUSA-N 0 3 248.153 3.025 20 0 BGADHN C[C@H](CO)N[C@H](C)c1cc(Cl)ccc1Cl ZINC000035603167 343299721 /nfs/dbraw/zinc/29/97/21/343299721.db2.gz IIMVPCCHNYMQGM-HTQZYQBOSA-N 0 3 248.153 3.025 20 0 BGADHN CC[C@H](NCCO)c1ccc(Cl)cc1Cl ZINC000035625506 342890709 /nfs/dbraw/zinc/89/07/09/342890709.db2.gz ZWRPAXHUTLHDMJ-NSHDSACASA-N 0 3 248.153 3.026 20 0 BGADHN CC[C@@H](NCCO)c1ccc(Cl)cc1Cl ZINC000035625508 384415696 /nfs/dbraw/zinc/41/56/96/384415696.db2.gz ZWRPAXHUTLHDMJ-LLVKDONJSA-N 0 3 248.153 3.026 20 0 BGADHN CCN[C@@H](C)c1cc(C)ccc1OC(F)F ZINC000035629794 170140608 /nfs/dbraw/zinc/14/06/08/170140608.db2.gz WKDKKVGVKPEEQW-VIFPVBQESA-N 0 3 229.270 3.267 20 0 BGADHN CCN[C@H](C)c1cc(C)ccc1OC(F)F ZINC000035629795 170159523 /nfs/dbraw/zinc/15/95/23/170159523.db2.gz WKDKKVGVKPEEQW-SECBINFHSA-N 0 3 229.270 3.267 20 0 BGADHN CC(C)N[C@@H]1CCCOc2c(F)cccc21 ZINC000035652582 167135396 /nfs/dbraw/zinc/13/53/96/167135396.db2.gz GESXYBMSHFBFFM-GFCCVEGCSA-N 0 3 223.291 3.037 20 0 BGADHN CC(C)N[C@H]1CCCOc2c(F)cccc21 ZINC000035652583 167139616 /nfs/dbraw/zinc/13/96/16/167139616.db2.gz GESXYBMSHFBFFM-LBPRGKRZSA-N 0 3 223.291 3.037 20 0 BGADHN CCN[C@@H]1CCCOc2ccc(Cl)cc21 ZINC000035652616 170150739 /nfs/dbraw/zinc/15/07/39/170150739.db2.gz WSMMTWVUNBBUEG-LLVKDONJSA-N 0 3 225.719 3.163 20 0 BGADHN CCN[C@H]1CCCOc2ccc(Cl)cc21 ZINC000035652617 170167274 /nfs/dbraw/zinc/16/72/74/170167274.db2.gz WSMMTWVUNBBUEG-NSHDSACASA-N 0 3 225.719 3.163 20 0 BGADHN CCN[C@@H]1CCCOc2c(Cl)cccc21 ZINC000035652814 170151089 /nfs/dbraw/zinc/15/10/89/170151089.db2.gz XQHSWNLGMRQXIA-LLVKDONJSA-N 0 3 225.719 3.163 20 0 BGADHN CCN[C@H]1CCCOc2c(Cl)cccc21 ZINC000035652815 170166902 /nfs/dbraw/zinc/16/69/02/170166902.db2.gz XQHSWNLGMRQXIA-NSHDSACASA-N 0 3 225.719 3.163 20 0 BGADHN CC(C)N[C@@H]1CCOc2c(Cl)cccc21 ZINC000035652820 167133712 /nfs/dbraw/zinc/13/37/12/167133712.db2.gz ZPQBJGSAFMABBA-LLVKDONJSA-N 0 3 225.719 3.162 20 0 BGADHN CC(C)N[C@H]1CCOc2c(Cl)cccc21 ZINC000035652821 167141032 /nfs/dbraw/zinc/14/10/32/167141032.db2.gz ZPQBJGSAFMABBA-NSHDSACASA-N 0 3 225.719 3.162 20 0 BGADHN CC(C)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000035652872 167134716 /nfs/dbraw/zinc/13/47/16/167134716.db2.gz FYFLNBHEHZQFBN-GFCCVEGCSA-N 0 3 223.291 3.037 20 0 BGADHN CC(C)N[C@H]1CCCOc2ccc(F)cc21 ZINC000035652873 167140015 /nfs/dbraw/zinc/14/00/15/167140015.db2.gz FYFLNBHEHZQFBN-LBPRGKRZSA-N 0 3 223.291 3.037 20 0 BGADHN CC(C)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000035652954 167136326 /nfs/dbraw/zinc/13/63/26/167136326.db2.gz LLFNHUPIJXWUNY-SECBINFHSA-N 0 3 246.137 3.425 20 0 BGADHN CC(C)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000035652955 167141586 /nfs/dbraw/zinc/14/15/86/167141586.db2.gz LLFNHUPIJXWUNY-VIFPVBQESA-N 0 3 246.137 3.425 20 0 BGADHN CCN[C@@H]1CCCOc2c(C)cc(Cl)cc21 ZINC000035653034 170150806 /nfs/dbraw/zinc/15/08/06/170150806.db2.gz LLCPLGXBHNLNFT-GFCCVEGCSA-N 0 3 239.746 3.472 20 0 BGADHN CCN[C@H]1CCCOc2c(C)cc(Cl)cc21 ZINC000035653036 170166589 /nfs/dbraw/zinc/16/65/89/170166589.db2.gz LLCPLGXBHNLNFT-LBPRGKRZSA-N 0 3 239.746 3.472 20 0 BGADHN Cc1cc([C@@H](C)NCCc2ccco2)c(C)o1 ZINC000035661459 178226568 /nfs/dbraw/zinc/22/65/68/178226568.db2.gz YCVXRAHWKPJIQG-LLVKDONJSA-N 0 3 233.311 3.383 20 0 BGADHN Cc1cc([C@H](C)NCCc2ccco2)c(C)o1 ZINC000035661460 178247926 /nfs/dbraw/zinc/24/79/26/178247926.db2.gz YCVXRAHWKPJIQG-NSHDSACASA-N 0 3 233.311 3.383 20 0 BGADHN C[C@H](NCCc1ccco1)c1cccc(F)c1 ZINC000035661568 387553305 /nfs/dbraw/zinc/55/33/05/387553305.db2.gz UOKUKOUWIHWKGD-NSHDSACASA-N 0 3 233.286 3.312 20 0 BGADHN C[C@@H](NCCc1ccco1)c1cccc(F)c1 ZINC000035661569 387553860 /nfs/dbraw/zinc/55/38/60/387553860.db2.gz UOKUKOUWIHWKGD-LLVKDONJSA-N 0 3 233.286 3.312 20 0 BGADHN Cc1ccc([C@@H](C)NCCc2ccco2)o1 ZINC000035661687 387553143 /nfs/dbraw/zinc/55/31/43/387553143.db2.gz FQAGXODVMZEHRD-LLVKDONJSA-N 0 3 219.284 3.074 20 0 BGADHN Cc1ccc([C@H](C)NCCc2ccco2)o1 ZINC000035661688 387553448 /nfs/dbraw/zinc/55/34/48/387553448.db2.gz FQAGXODVMZEHRD-NSHDSACASA-N 0 3 219.284 3.074 20 0 BGADHN C[C@H](NCCc1ccco1)c1ccccc1F ZINC000035661706 387553605 /nfs/dbraw/zinc/55/36/05/387553605.db2.gz RBUVFGMLLOCUPP-NSHDSACASA-N 0 3 233.286 3.312 20 0 BGADHN C[C@@H](NCCc1ccco1)c1ccccc1F ZINC000035661707 387553207 /nfs/dbraw/zinc/55/32/07/387553207.db2.gz RBUVFGMLLOCUPP-LLVKDONJSA-N 0 3 233.286 3.312 20 0 BGADHN COc1ccccc1[C@H](C)NCCc1ccco1 ZINC000035661733 175351238 /nfs/dbraw/zinc/35/12/38/175351238.db2.gz LMVXNDMTBAYORR-LBPRGKRZSA-N 0 3 245.322 3.182 20 0 BGADHN COc1ccccc1[C@@H](C)NCCc1ccco1 ZINC000035661734 175344678 /nfs/dbraw/zinc/34/46/78/175344678.db2.gz LMVXNDMTBAYORR-GFCCVEGCSA-N 0 3 245.322 3.182 20 0 BGADHN Cc1nc([C@@H](C)N[C@@H](C)C2CC2)c(C)s1 ZINC000035732845 398164307 /nfs/dbraw/zinc/16/43/07/398164307.db2.gz UKWFJDRJXFFSSL-JGVFFNPUSA-N 0 3 224.373 3.209 20 0 BGADHN Cc1nc([C@H](C)N[C@@H](C)C2CC2)c(C)s1 ZINC000035732846 180051374 /nfs/dbraw/zinc/05/13/74/180051374.db2.gz UKWFJDRJXFFSSL-YUMQZZPRSA-N 0 3 224.373 3.209 20 0 BGADHN Cc1nc([C@@H](C)N[C@H](C)C2CC2)c(C)s1 ZINC000035732847 180037202 /nfs/dbraw/zinc/03/72/02/180037202.db2.gz UKWFJDRJXFFSSL-HTQZYQBOSA-N 0 3 224.373 3.209 20 0 BGADHN Cc1nc([C@H](C)N[C@H](C)C2CC2)c(C)s1 ZINC000035732848 180051490 /nfs/dbraw/zinc/05/14/90/180051490.db2.gz UKWFJDRJXFFSSL-SFYZADRCSA-N 0 3 224.373 3.209 20 0 BGADHN C[C@H](N[C@@H](C)C1CC1)c1nc2ccccc2n1C ZINC000035733063 383872635 /nfs/dbraw/zinc/87/26/35/383872635.db2.gz XDAKBMNJQSHWCU-QWRGUYRKSA-N 0 3 243.354 3.022 20 0 BGADHN C[C@@H](N[C@@H](C)C1CC1)c1nc2ccccc2n1C ZINC000035733064 343302733 /nfs/dbraw/zinc/30/27/33/343302733.db2.gz XDAKBMNJQSHWCU-WDEREUQCSA-N 0 3 243.354 3.022 20 0 BGADHN C[C@@H](N[C@@H](C)c1nc2ccccc2n1C)C1CC1 ZINC000035733065 343302706 /nfs/dbraw/zinc/30/27/06/343302706.db2.gz XDAKBMNJQSHWCU-MNOVXSKESA-N 0 3 243.354 3.022 20 0 BGADHN C[C@@H](N[C@H](C)C1CC1)c1nc2ccccc2n1C ZINC000035733066 343302834 /nfs/dbraw/zinc/30/28/34/343302834.db2.gz XDAKBMNJQSHWCU-GHMZBOCLSA-N 0 3 243.354 3.022 20 0 BGADHN C[C@H](N[C@@H](C)C1CC1)c1cc(F)ccc1F ZINC000035733075 383873408 /nfs/dbraw/zinc/87/34/08/383873408.db2.gz LACGSVKLJXKOBT-IUCAKERBSA-N 0 3 225.282 3.414 20 0 BGADHN C[C@@H](N[C@@H](C)C1CC1)c1cc(F)ccc1F ZINC000035733076 343302768 /nfs/dbraw/zinc/30/27/68/343302768.db2.gz LACGSVKLJXKOBT-DTWKUNHWSA-N 0 3 225.282 3.414 20 0 BGADHN C[C@@H](N[C@@H](C)c1cc(F)ccc1F)C1CC1 ZINC000035733077 343302744 /nfs/dbraw/zinc/30/27/44/343302744.db2.gz LACGSVKLJXKOBT-BDAKNGLRSA-N 0 3 225.282 3.414 20 0 BGADHN C[C@@H](N[C@H](C)C1CC1)c1cc(F)ccc1F ZINC000035733078 343302851 /nfs/dbraw/zinc/30/28/51/343302851.db2.gz LACGSVKLJXKOBT-RKDXNWHRSA-N 0 3 225.282 3.414 20 0 BGADHN C[C@H](N[C@@H](C)C1CC1)c1ccc(F)cc1F ZINC000035733129 383873425 /nfs/dbraw/zinc/87/34/25/383873425.db2.gz JNFICORDMUQLLL-IUCAKERBSA-N 0 3 225.282 3.414 20 0 BGADHN C[C@@H](N[C@@H](C)C1CC1)c1ccc(F)cc1F ZINC000035733130 343302862 /nfs/dbraw/zinc/30/28/62/343302862.db2.gz JNFICORDMUQLLL-DTWKUNHWSA-N 0 3 225.282 3.414 20 0 BGADHN C[C@@H](N[C@@H](C)c1ccc(F)cc1F)C1CC1 ZINC000035733131 343302698 /nfs/dbraw/zinc/30/26/98/343302698.db2.gz JNFICORDMUQLLL-BDAKNGLRSA-N 0 3 225.282 3.414 20 0 BGADHN C[C@@H](N[C@H](C)C1CC1)c1ccc(F)cc1F ZINC000035733132 343303115 /nfs/dbraw/zinc/30/31/15/343303115.db2.gz JNFICORDMUQLLL-RKDXNWHRSA-N 0 3 225.282 3.414 20 0 BGADHN C[C@H](N[C@@H](C)C1CC1)c1c(F)cccc1F ZINC000035733322 383872540 /nfs/dbraw/zinc/87/25/40/383872540.db2.gz OGJJVFFYBQBMEP-IUCAKERBSA-N 0 3 225.282 3.414 20 0 BGADHN C[C@@H](N[C@@H](C)C1CC1)c1c(F)cccc1F ZINC000035733323 343303056 /nfs/dbraw/zinc/30/30/56/343303056.db2.gz OGJJVFFYBQBMEP-DTWKUNHWSA-N 0 3 225.282 3.414 20 0 BGADHN C[C@@H](N[C@@H](C)c1c(F)cccc1F)C1CC1 ZINC000035733324 343303032 /nfs/dbraw/zinc/30/30/32/343303032.db2.gz OGJJVFFYBQBMEP-BDAKNGLRSA-N 0 3 225.282 3.414 20 0 BGADHN C[C@@H](N[C@H](C)C1CC1)c1c(F)cccc1F ZINC000035733325 343303079 /nfs/dbraw/zinc/30/30/79/343303079.db2.gz OGJJVFFYBQBMEP-RKDXNWHRSA-N 0 3 225.282 3.414 20 0 BGADHN C[C@H](NC1Cc2ccccc2C1)c1ccco1 ZINC000035738438 383872864 /nfs/dbraw/zinc/87/28/64/383872864.db2.gz ZXMHUEKHXRHQIL-NSHDSACASA-N 0 3 227.307 3.098 20 0 BGADHN C[C@@H](NC1Cc2ccccc2C1)c1ccco1 ZINC000035738439 383873734 /nfs/dbraw/zinc/87/37/34/383873734.db2.gz ZXMHUEKHXRHQIL-LLVKDONJSA-N 0 3 227.307 3.098 20 0 BGADHN COC(C)(C)C[C@H](C)N[C@@H](C)c1ccco1 ZINC000035738544 343303564 /nfs/dbraw/zinc/30/35/64/343303564.db2.gz OSAQPIACZPDHHD-QWRGUYRKSA-N 0 3 225.332 3.134 20 0 BGADHN COC(C)(C)C[C@@H](C)N[C@@H](C)c1ccco1 ZINC000035738545 343303324 /nfs/dbraw/zinc/30/33/24/343303324.db2.gz OSAQPIACZPDHHD-MNOVXSKESA-N 0 3 225.332 3.134 20 0 BGADHN COC(C)(C)C[C@H](C)N[C@H](C)c1ccco1 ZINC000035738546 343303330 /nfs/dbraw/zinc/30/33/30/343303330.db2.gz OSAQPIACZPDHHD-WDEREUQCSA-N 0 3 225.332 3.134 20 0 BGADHN COC(C)(C)C[C@@H](C)N[C@H](C)c1ccco1 ZINC000035738547 343303547 /nfs/dbraw/zinc/30/35/47/343303547.db2.gz OSAQPIACZPDHHD-GHMZBOCLSA-N 0 3 225.332 3.134 20 0 BGADHN COc1ccc2c(c1)[C@H](NC1CC1)CCCS2 ZINC000035760706 175216537 /nfs/dbraw/zinc/21/65/37/175216537.db2.gz NHARHIGAVAALMA-CYBMUJFWSA-N 0 3 249.379 3.374 20 0 BGADHN COc1ccc2c(c1)[C@@H](NC1CC1)CCCS2 ZINC000035760711 175214037 /nfs/dbraw/zinc/21/40/37/175214037.db2.gz NHARHIGAVAALMA-ZDUSSCGKSA-N 0 3 249.379 3.374 20 0 BGADHN Fc1ccc2c(c1)[C@H](NC1CC1)CCS2 ZINC000035761967 342892691 /nfs/dbraw/zinc/89/26/91/342892691.db2.gz RYFPTTFQWGBRGT-LLVKDONJSA-N 0 3 223.316 3.115 20 0 BGADHN Fc1ccc2c(c1)[C@@H](NC1CC1)CCS2 ZINC000035761968 342892576 /nfs/dbraw/zinc/89/25/76/342892576.db2.gz RYFPTTFQWGBRGT-NSHDSACASA-N 0 3 223.316 3.115 20 0 BGADHN Fc1cccc2c1SCC[C@@H]2NC1CC1 ZINC000035762215 181006847 /nfs/dbraw/zinc/00/68/47/181006847.db2.gz RXOJKUARSHOBPY-NSHDSACASA-N 0 3 223.316 3.115 20 0 BGADHN Fc1cccc2c1SCC[C@H]2NC1CC1 ZINC000035762216 181006314 /nfs/dbraw/zinc/00/63/14/181006314.db2.gz RXOJKUARSHOBPY-LLVKDONJSA-N 0 3 223.316 3.115 20 0 BGADHN CCCCCNCc1cccc2c1OCCCO2 ZINC000036167556 358460454 /nfs/dbraw/zinc/46/04/54/358460454.db2.gz XSRISKTWOBYTHW-UHFFFAOYSA-N 0 3 249.354 3.128 20 0 BGADHN CCC[C@@H](C)NCc1cccc2c1OCCCO2 ZINC000036167581 169370852 /nfs/dbraw/zinc/37/08/52/169370852.db2.gz DPXDPFGKUBJQKZ-GFCCVEGCSA-N 0 3 249.354 3.126 20 0 BGADHN CCC[C@H](C)NCc1cccc2c1OCCCO2 ZINC000036167583 383884478 /nfs/dbraw/zinc/88/44/78/383884478.db2.gz DPXDPFGKUBJQKZ-LBPRGKRZSA-N 0 3 249.354 3.126 20 0 BGADHN CC(C)CC[C@@H](C)NCc1cccc2c1OCO2 ZINC000036168044 387582919 /nfs/dbraw/zinc/58/29/19/387582919.db2.gz BZUVCKYYOVYYGO-GFCCVEGCSA-N 0 3 249.354 3.330 20 0 BGADHN CC(C)CC[C@H](C)NCc1cccc2c1OCO2 ZINC000036168045 359660779 /nfs/dbraw/zinc/66/07/79/359660779.db2.gz BZUVCKYYOVYYGO-LBPRGKRZSA-N 0 3 249.354 3.330 20 0 BGADHN CCOCCN[C@@H](C)c1cc(C)sc1C ZINC000036228328 384433660 /nfs/dbraw/zinc/43/36/60/384433660.db2.gz JPADIKRMAFTHAW-JTQLQIEISA-N 0 3 227.373 3.052 20 0 BGADHN CCOCCN[C@H](C)c1cc(C)sc1C ZINC000036228332 384436208 /nfs/dbraw/zinc/43/62/08/384436208.db2.gz JPADIKRMAFTHAW-SNVBAGLBSA-N 0 3 227.373 3.052 20 0 BGADHN CCOCCN[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000036228453 383887771 /nfs/dbraw/zinc/88/77/71/383887771.db2.gz RQSNRTOVFDATLU-VIFPVBQESA-N 0 3 245.725 3.166 20 0 BGADHN CCOCCN[C@H](C)c1ccc(F)c(Cl)c1 ZINC000036228456 383887381 /nfs/dbraw/zinc/88/73/81/383887381.db2.gz RQSNRTOVFDATLU-SECBINFHSA-N 0 3 245.725 3.166 20 0 BGADHN CCOCCN[C@@H](C)c1ccc(SC)cc1 ZINC000036228813 383889653 /nfs/dbraw/zinc/88/96/53/383889653.db2.gz KNTXFXLQRQCDRY-NSHDSACASA-N 0 3 239.384 3.096 20 0 BGADHN CCOCCN[C@H](C)c1ccc(SC)cc1 ZINC000036228815 383889451 /nfs/dbraw/zinc/88/94/51/383889451.db2.gz KNTXFXLQRQCDRY-LLVKDONJSA-N 0 3 239.384 3.096 20 0 BGADHN CCCc1ccc([C@@H](C)NCCOCC)cc1 ZINC000036228960 387583029 /nfs/dbraw/zinc/58/30/29/387583029.db2.gz ADKMYRZVLJSUED-CYBMUJFWSA-N 0 3 235.371 3.326 20 0 BGADHN CCCc1ccc([C@H](C)NCCOCC)cc1 ZINC000036228963 387583643 /nfs/dbraw/zinc/58/36/43/387583643.db2.gz ADKMYRZVLJSUED-ZDUSSCGKSA-N 0 3 235.371 3.326 20 0 BGADHN CCOCCN[C@@H](CC)c1cccc(Cl)c1 ZINC000036229039 170413397 /nfs/dbraw/zinc/41/33/97/170413397.db2.gz GFXBEYOQLDUJQN-ZDUSSCGKSA-N 0 3 241.762 3.417 20 0 BGADHN CCOCCN[C@H](CC)c1cccc(Cl)c1 ZINC000036229042 384900663 /nfs/dbraw/zinc/90/06/63/384900663.db2.gz GFXBEYOQLDUJQN-CYBMUJFWSA-N 0 3 241.762 3.417 20 0 BGADHN CCOCCN[C@@H](CC)c1ccc(Cl)cc1 ZINC000036229073 384900444 /nfs/dbraw/zinc/90/04/44/384900444.db2.gz UBJMLWVBHBUJGQ-ZDUSSCGKSA-N 0 3 241.762 3.417 20 0 BGADHN CCOCCN[C@H](CC)c1ccc(Cl)cc1 ZINC000036229074 384900682 /nfs/dbraw/zinc/90/06/82/384900682.db2.gz UBJMLWVBHBUJGQ-CYBMUJFWSA-N 0 3 241.762 3.417 20 0 BGADHN C[C@H](NC1CCOCC1)c1ccccc1Cl ZINC000036304224 383897913 /nfs/dbraw/zinc/89/79/13/383897913.db2.gz YWTXBQNSFLDGFI-JTQLQIEISA-N 0 3 239.746 3.170 20 0 BGADHN C[C@@H](NC1CCOCC1)c1ccccc1Cl ZINC000036304227 383895735 /nfs/dbraw/zinc/89/57/35/383895735.db2.gz YWTXBQNSFLDGFI-SNVBAGLBSA-N 0 3 239.746 3.170 20 0 BGADHN Cc1cc(NC2CCOCC2)c2ccccc2n1 ZINC000036319999 178154666 /nfs/dbraw/zinc/15/46/66/178154666.db2.gz VYTAZOPAJLYVDE-UHFFFAOYSA-N 0 3 242.322 3.134 20 0 BGADHN c1ccc2c(c1)nccc2N1CCCCC1 ZINC000036373135 132342284 /nfs/dbraw/zinc/34/22/84/132342284.db2.gz AQJALGZGTTYCSA-UHFFFAOYSA-N 0 3 212.296 3.225 20 0 BGADHN CCNCc1cc(Cl)ccc1OCC1CC1 ZINC000036765200 170125437 /nfs/dbraw/zinc/12/54/37/170125437.db2.gz DNPXDKYRCWQNAM-UHFFFAOYSA-N 0 3 239.746 3.238 20 0 BGADHN CCN[C@@H](C)c1ccc(OC)cc1Cl ZINC000036768592 170142293 /nfs/dbraw/zinc/14/22/93/170142293.db2.gz CZZVBIWMNRERMF-QMMMGPOBSA-N 0 3 213.708 3.019 20 0 BGADHN CCN[C@H](C)c1ccc(OC)cc1Cl ZINC000036768593 170159143 /nfs/dbraw/zinc/15/91/43/170159143.db2.gz CZZVBIWMNRERMF-MRVPVSSYSA-N 0 3 213.708 3.019 20 0 BGADHN CCCN[C@@H](C)c1ccc(OC)cc1Cl ZINC000036768744 384455866 /nfs/dbraw/zinc/45/58/66/384455866.db2.gz GBIRSMZIEFKIND-VIFPVBQESA-N 0 3 227.735 3.409 20 0 BGADHN CCCN[C@H](C)c1ccc(OC)cc1Cl ZINC000036768745 384455424 /nfs/dbraw/zinc/45/54/24/384455424.db2.gz GBIRSMZIEFKIND-SECBINFHSA-N 0 3 227.735 3.409 20 0 BGADHN C[C@H](NCCc1cccc(F)c1)c1ccco1 ZINC000036778718 383910207 /nfs/dbraw/zinc/91/02/07/383910207.db2.gz MYFZOAQPQGTFQA-NSHDSACASA-N 0 3 233.286 3.312 20 0 BGADHN C[C@@H](NCCc1cccc(F)c1)c1ccco1 ZINC000036778719 383910840 /nfs/dbraw/zinc/91/08/40/383910840.db2.gz MYFZOAQPQGTFQA-LLVKDONJSA-N 0 3 233.286 3.312 20 0 BGADHN CC(C)[C@@H](C)N(C)Cc1ccc(Cl)nc1 ZINC000036787261 167367538 /nfs/dbraw/zinc/36/75/38/167367538.db2.gz WYBYEIRVLOAWMH-SNVBAGLBSA-N 0 3 226.751 3.211 20 0 BGADHN CC(C)[C@H](C)N(C)Cc1ccc(Cl)nc1 ZINC000036787262 342911217 /nfs/dbraw/zinc/91/12/17/342911217.db2.gz WYBYEIRVLOAWMH-JTQLQIEISA-N 0 3 226.751 3.211 20 0 BGADHN CCC(CC)N(C)Cc1ccc(Cl)nc1 ZINC000036789043 168369732 /nfs/dbraw/zinc/36/97/32/168369732.db2.gz MPVBVMNKWDDCSU-UHFFFAOYSA-N 0 3 226.751 3.355 20 0 BGADHN CCC[C@@H](C)N(C)Cc1ccc(Cl)nc1 ZINC000036790526 169365290 /nfs/dbraw/zinc/36/52/90/169365290.db2.gz MEIFFPIUCXRQKN-SNVBAGLBSA-N 0 3 226.751 3.355 20 0 BGADHN CCC[C@H](C)N(C)Cc1ccc(Cl)nc1 ZINC000036790527 384458922 /nfs/dbraw/zinc/45/89/22/384458922.db2.gz MEIFFPIUCXRQKN-JTQLQIEISA-N 0 3 226.751 3.355 20 0 BGADHN CCNCc1ccc(-c2c(F)cccc2F)o1 ZINC000036819167 170126545 /nfs/dbraw/zinc/12/65/45/170126545.db2.gz IWZLZXNOVQOJJW-UHFFFAOYSA-N 0 3 237.249 3.334 20 0 BGADHN Fc1cccc(F)c1-c1ccc(CNC2CC2)o1 ZINC000036819171 181000815 /nfs/dbraw/zinc/00/08/15/181000815.db2.gz YXKJSZHVWCWFDF-UHFFFAOYSA-N 0 3 249.260 3.477 20 0 BGADHN c1coc(CNC2CC(c3ccccc3)C2)c1 ZINC000036840311 183390356 /nfs/dbraw/zinc/39/03/56/183390356.db2.gz OBDASQHMLLICFB-UHFFFAOYSA-N 0 3 227.307 3.315 20 0 BGADHN c1ccc(C2CC(NCc3ccccn3)C2)cc1 ZINC000036840436 183390570 /nfs/dbraw/zinc/39/05/70/183390570.db2.gz LZNLTOSYKIRYEB-UHFFFAOYSA-N 0 3 238.334 3.117 20 0 BGADHN Fc1ccc(C2CC(NCc3ccco3)C2)cc1 ZINC000036840713 343325220 /nfs/dbraw/zinc/32/52/20/343325220.db2.gz JQWREMGOWPVMIS-UHFFFAOYSA-N 0 3 245.297 3.455 20 0 BGADHN Fc1cccc(C2CC(NCc3ccco3)C2)c1 ZINC000036840718 343325230 /nfs/dbraw/zinc/32/52/30/343325230.db2.gz KASCCKZGEJRMMK-UHFFFAOYSA-N 0 3 245.297 3.455 20 0 BGADHN Fc1ccccc1C1CC(NCc2ccco2)C1 ZINC000036840720 181010112 /nfs/dbraw/zinc/01/01/12/181010112.db2.gz LBPIFUMIOQDDSL-UHFFFAOYSA-N 0 3 245.297 3.455 20 0 BGADHN Oc1cccc2c1CC[C@H]2NCc1ccccc1 ZINC000036851828 183296910 /nfs/dbraw/zinc/29/69/10/183296910.db2.gz CHWUXTVRXNANJQ-OAHLLOKOSA-N 0 3 239.318 3.169 20 0 BGADHN Oc1cccc2c1CC[C@@H]2NCc1ccccc1 ZINC000036851829 183295405 /nfs/dbraw/zinc/29/54/05/183295405.db2.gz CHWUXTVRXNANJQ-HNNXBMFYSA-N 0 3 239.318 3.169 20 0 BGADHN Oc1cccc2c1CC[C@@H]2NCc1cccs1 ZINC000036852421 183295927 /nfs/dbraw/zinc/29/59/27/183295927.db2.gz QDWLIGBQXJQSAH-ZDUSSCGKSA-N 0 3 245.347 3.231 20 0 BGADHN Oc1cccc2c1CC[C@H]2NCc1cccs1 ZINC000036852422 183297465 /nfs/dbraw/zinc/29/74/65/183297465.db2.gz QDWLIGBQXJQSAH-CYBMUJFWSA-N 0 3 245.347 3.231 20 0 BGADHN CCC[C@H](N)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000036872690 343325953 /nfs/dbraw/zinc/32/59/53/343325953.db2.gz YHNGDZQKCZQMIK-ZDUSSCGKSA-N 0 3 248.370 3.050 20 0 BGADHN CCC[C@@H](N)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000036872691 169391868 /nfs/dbraw/zinc/39/18/68/169391868.db2.gz YHNGDZQKCZQMIK-CYBMUJFWSA-N 0 3 248.370 3.050 20 0 BGADHN CC(C)C[C@@H](C)NCc1cccc(F)c1F ZINC000036888566 358055217 /nfs/dbraw/zinc/05/52/17/358055217.db2.gz MSRIQVLGSPQNMP-SNVBAGLBSA-N 0 3 227.298 3.489 20 0 BGADHN CC(C)C[C@H](C)NCc1cccc(F)c1F ZINC000036888568 358055182 /nfs/dbraw/zinc/05/51/82/358055182.db2.gz MSRIQVLGSPQNMP-JTQLQIEISA-N 0 3 227.298 3.489 20 0 BGADHN CC(C)CCCCCCNCc1cc[nH]n1 ZINC000036900257 712513344 /nfs/dbraw/zinc/51/33/44/712513344.db2.gz VGUQTZSNFBDRRI-UHFFFAOYSA-N 0 3 223.364 3.106 20 0 BGADHN CCOCCNCc1c2ccccc2oc1CC ZINC000036909230 387557032 /nfs/dbraw/zinc/55/70/32/387557032.db2.gz ZXICYUBTJNHXOK-UHFFFAOYSA-N 0 3 247.338 3.121 20 0 BGADHN CCCCCN[C@@H](C)c1csc(C)n1 ZINC000036914383 359691884 /nfs/dbraw/zinc/69/18/84/359691884.db2.gz KTLFRQHSBCDMTQ-VIFPVBQESA-N 0 3 212.362 3.292 20 0 BGADHN CCCCCN[C@H](C)c1csc(C)n1 ZINC000036914384 342913884 /nfs/dbraw/zinc/91/38/84/342913884.db2.gz KTLFRQHSBCDMTQ-SECBINFHSA-N 0 3 212.362 3.292 20 0 BGADHN CCC[C@@H](C)N[C@@H](C)c1csc(C)n1 ZINC000036914393 169370217 /nfs/dbraw/zinc/37/02/17/169370217.db2.gz HNQGKPYEAABJJV-BDAKNGLRSA-N 0 3 212.362 3.291 20 0 BGADHN CCC[C@H](C)N[C@@H](C)c1csc(C)n1 ZINC000036914394 384464255 /nfs/dbraw/zinc/46/42/55/384464255.db2.gz HNQGKPYEAABJJV-IUCAKERBSA-N 0 3 212.362 3.291 20 0 BGADHN CCC[C@@H](C)N[C@H](C)c1csc(C)n1 ZINC000036914395 169371211 /nfs/dbraw/zinc/37/12/11/169371211.db2.gz HNQGKPYEAABJJV-RKDXNWHRSA-N 0 3 212.362 3.291 20 0 BGADHN CCC[C@H](C)N[C@H](C)c1csc(C)n1 ZINC000036914396 384464555 /nfs/dbraw/zinc/46/45/55/384464555.db2.gz HNQGKPYEAABJJV-DTWKUNHWSA-N 0 3 212.362 3.291 20 0 BGADHN Cc1nc([C@@H](C)NCCC(C)C)cs1 ZINC000036914481 180036035 /nfs/dbraw/zinc/03/60/35/180036035.db2.gz HDQDRTWFUHFMSZ-SECBINFHSA-N 0 3 212.362 3.148 20 0 BGADHN Cc1nc([C@H](C)NCCC(C)C)cs1 ZINC000036914482 180049564 /nfs/dbraw/zinc/04/95/64/180049564.db2.gz HDQDRTWFUHFMSZ-VIFPVBQESA-N 0 3 212.362 3.148 20 0 BGADHN Cc1nc([C@@H](C)NC(C2CC2)C2CC2)cs1 ZINC000036915319 180034714 /nfs/dbraw/zinc/03/47/14/180034714.db2.gz PNDBCQYKYPBWJU-MRVPVSSYSA-N 0 3 236.384 3.291 20 0 BGADHN Cc1nc([C@H](C)NC(C2CC2)C2CC2)cs1 ZINC000036915320 180048857 /nfs/dbraw/zinc/04/88/57/180048857.db2.gz PNDBCQYKYPBWJU-QMMMGPOBSA-N 0 3 236.384 3.291 20 0 BGADHN Cc1nc([C@@H](C)NCC2CCCC2)cs1 ZINC000036915579 180034136 /nfs/dbraw/zinc/03/41/36/180034136.db2.gz DOVCDKQYHLOLPJ-SECBINFHSA-N 0 3 224.373 3.292 20 0 BGADHN Cc1nc([C@H](C)NCC2CCCC2)cs1 ZINC000036915580 180048289 /nfs/dbraw/zinc/04/82/89/180048289.db2.gz DOVCDKQYHLOLPJ-VIFPVBQESA-N 0 3 224.373 3.292 20 0 BGADHN CCC(C)(C)C1CCC(NCc2cc[nH]n2)CC1 ZINC000036918371 168270719 /nfs/dbraw/zinc/27/07/19/168270719.db2.gz MLNDBOHEAOEJBP-UHFFFAOYSA-N 0 3 249.402 3.494 20 0 BGADHN C[C@H](N[C@@H]1CCSC1)c1cc(F)ccc1F ZINC000036921841 538961518 /nfs/dbraw/zinc/96/15/18/538961518.db2.gz XWBXMBXYVBJZIP-WCBMZHEXSA-N 0 3 243.322 3.121 20 0 BGADHN C[C@@H](N[C@@H]1CCSC1)c1cc(F)ccc1F ZINC000036921842 538961471 /nfs/dbraw/zinc/96/14/71/538961471.db2.gz XWBXMBXYVBJZIP-PSASIEDQSA-N 0 3 243.322 3.121 20 0 BGADHN C[C@H](N[C@H]1CCSC1)c1cc(F)ccc1F ZINC000036921843 538961439 /nfs/dbraw/zinc/96/14/39/538961439.db2.gz XWBXMBXYVBJZIP-WPRPVWTQSA-N 0 3 243.322 3.121 20 0 BGADHN C[C@@H](N[C@H]1CCSC1)c1cc(F)ccc1F ZINC000036921844 538961449 /nfs/dbraw/zinc/96/14/49/538961449.db2.gz XWBXMBXYVBJZIP-SCZZXKLOSA-N 0 3 243.322 3.121 20 0 BGADHN COc1ccc(CNCc2ccccc2)cc1F ZINC000036923598 175108828 /nfs/dbraw/zinc/10/88/28/175108828.db2.gz VVUWHQOTJRBBRT-UHFFFAOYSA-N 0 3 245.297 3.124 20 0 BGADHN COC(C)(C)C[C@H](C)N[C@H](C)c1ccc(C)o1 ZINC000036959879 343328617 /nfs/dbraw/zinc/32/86/17/343328617.db2.gz YBVTVDFBNHVRRK-CMPLNLGQSA-N 0 3 239.359 3.442 20 0 BGADHN COC(C)(C)C[C@H](C)N[C@@H](C)c1ccc(C)o1 ZINC000036959880 343328760 /nfs/dbraw/zinc/32/87/60/343328760.db2.gz YBVTVDFBNHVRRK-JQWIXIFHSA-N 0 3 239.359 3.442 20 0 BGADHN COC(C)(C)C[C@@H](C)N[C@H](C)c1ccc(C)o1 ZINC000036959881 343328827 /nfs/dbraw/zinc/32/88/27/343328827.db2.gz YBVTVDFBNHVRRK-ZYHUDNBSSA-N 0 3 239.359 3.442 20 0 BGADHN COC(C)(C)C[C@@H](C)N[C@@H](C)c1ccc(C)o1 ZINC000036959882 343328750 /nfs/dbraw/zinc/32/87/50/343328750.db2.gz YBVTVDFBNHVRRK-PWSUYJOCSA-N 0 3 239.359 3.442 20 0 BGADHN Cc1ccc([C@@H](C)N[C@H](C)C2(C)CC2)o1 ZINC000036960119 178849118 /nfs/dbraw/zinc/84/91/18/178849118.db2.gz XXATULSLFREBAK-GHMZBOCLSA-N 0 3 207.317 3.427 20 0 BGADHN CN[C@@H](c1ccccc1)c1ccc(OC)cc1 ZINC000036960399 538961455 /nfs/dbraw/zinc/96/14/55/538961455.db2.gz SZKRZHFIQDYKGG-HNNXBMFYSA-N 0 3 227.307 3.004 20 0 BGADHN CN[C@H](c1ccccc1)c1ccc(OC)cc1 ZINC000036960401 538961383 /nfs/dbraw/zinc/96/13/83/538961383.db2.gz SZKRZHFIQDYKGG-OAHLLOKOSA-N 0 3 227.307 3.004 20 0 BGADHN Cc1ccc([C@@H](C)NC2Cc3ccccc3C2)o1 ZINC000036960614 383924579 /nfs/dbraw/zinc/92/45/79/383924579.db2.gz AJHRIXFTNPPIEV-GFCCVEGCSA-N 0 3 241.334 3.406 20 0 BGADHN Cc1ccc([C@H](C)NC2Cc3ccccc3C2)o1 ZINC000036960616 383923249 /nfs/dbraw/zinc/92/32/49/383923249.db2.gz AJHRIXFTNPPIEV-LBPRGKRZSA-N 0 3 241.334 3.406 20 0 BGADHN c1ccc(-c2ccc([C@@H]3CNCCO3)cc2)cc1 ZINC000036965083 183379362 /nfs/dbraw/zinc/37/93/62/183379362.db2.gz HYLOUQNSUSDXQR-INIZCTEOSA-N 0 3 239.318 3.015 20 0 BGADHN c1ccc(-c2ccc([C@H]3CNCCO3)cc2)cc1 ZINC000036965084 183379723 /nfs/dbraw/zinc/37/97/23/183379723.db2.gz HYLOUQNSUSDXQR-MRXNPFEDSA-N 0 3 239.318 3.015 20 0 BGADHN CCCc1ccccc1NC1CCN(C)CC1 ZINC000036974267 343329022 /nfs/dbraw/zinc/32/90/22/343329022.db2.gz WAUIQSFZJJETKH-UHFFFAOYSA-N 0 3 232.371 3.145 20 0 BGADHN CC[C@@H](C)CNc1cccc(CN(C)C)c1 ZINC000036979493 343329109 /nfs/dbraw/zinc/32/91/09/343329109.db2.gz BMMZCZYTOHSRMB-GFCCVEGCSA-N 0 3 220.360 3.206 20 0 BGADHN CC[C@H](C)CNc1cccc(CN(C)C)c1 ZINC000036979495 171289456 /nfs/dbraw/zinc/28/94/56/171289456.db2.gz BMMZCZYTOHSRMB-LBPRGKRZSA-N 0 3 220.360 3.206 20 0 BGADHN CN(C)Cc1cccc(NC2CCCC2)c1 ZINC000036979587 343329281 /nfs/dbraw/zinc/32/92/81/343329281.db2.gz WVOOVSBJQBEELQ-UHFFFAOYSA-N 0 3 218.344 3.103 20 0 BGADHN CN(C)Cc1cccc(NCc2cccs2)c1 ZINC000036979646 343329273 /nfs/dbraw/zinc/32/92/73/343329273.db2.gz RNCXRFFATVECAT-UHFFFAOYSA-N 0 3 246.379 3.422 20 0 BGADHN Cc1ccc(CNc2cccc(CN(C)C)c2)o1 ZINC000036979654 358465726 /nfs/dbraw/zinc/46/57/26/358465726.db2.gz QGHTXLSMGYCZCF-UHFFFAOYSA-N 0 3 244.338 3.262 20 0 BGADHN CN(C)Cc1cccc(NCc2ccsc2)c1 ZINC000036979663 343329086 /nfs/dbraw/zinc/32/90/86/343329086.db2.gz BRYVVKPTWRSMMU-UHFFFAOYSA-N 0 3 246.379 3.422 20 0 BGADHN CC(C)CCNc1cccc(CN(C)C)c1 ZINC000036979669 388084871 /nfs/dbraw/zinc/08/48/71/388084871.db2.gz NVVZJMCFXXAMEM-UHFFFAOYSA-N 0 3 220.360 3.206 20 0 BGADHN CN(C)Cc1cccc(NCc2ccccc2)c1 ZINC000036979755 343329063 /nfs/dbraw/zinc/32/90/63/343329063.db2.gz IMWKGFUYTUDVSB-UHFFFAOYSA-N 0 3 240.350 3.360 20 0 BGADHN CN(C)Cc1cccc(NC2CCCCC2)c1 ZINC000036979777 388551512 /nfs/dbraw/zinc/55/15/12/388551512.db2.gz KCZBAVREHCAFPO-UHFFFAOYSA-N 0 3 232.371 3.493 20 0 BGADHN CC(C)[C@@H](C)Nc1cccc(CN(C)C)c1 ZINC000036979831 167388146 /nfs/dbraw/zinc/38/81/46/167388146.db2.gz UCNWFKNUFGSAMN-GFCCVEGCSA-N 0 3 220.360 3.205 20 0 BGADHN CC(C)[C@H](C)Nc1cccc(CN(C)C)c1 ZINC000036979832 383925225 /nfs/dbraw/zinc/92/52/25/383925225.db2.gz UCNWFKNUFGSAMN-LBPRGKRZSA-N 0 3 220.360 3.205 20 0 BGADHN CCC(CC)Nc1cccc(CN(C)C)c1 ZINC000036979878 168394207 /nfs/dbraw/zinc/39/42/07/168394207.db2.gz KWJLEZWABMZBCJ-UHFFFAOYSA-N 0 3 220.360 3.349 20 0 BGADHN C[C@H](NCc1ccccc1F)C1(C)CC1 ZINC000036984300 384470039 /nfs/dbraw/zinc/47/00/39/384470039.db2.gz VFUBHQHKLNECLC-JTQLQIEISA-N 0 3 207.292 3.104 20 0 BGADHN C[C@@H](NCc1ccccc1F)C1(C)CC1 ZINC000036984301 342915311 /nfs/dbraw/zinc/91/53/11/342915311.db2.gz VFUBHQHKLNECLC-SNVBAGLBSA-N 0 3 207.292 3.104 20 0 BGADHN C[C@@H](Cc1cccs1)N[C@@H](C)c1ccccn1 ZINC000036992670 343329554 /nfs/dbraw/zinc/32/95/54/343329554.db2.gz BXGFMEJRHMOQQA-RYUDHWBXSA-N 0 3 246.379 3.425 20 0 BGADHN C[C@H](Cc1cccs1)N[C@@H](C)c1ccccn1 ZINC000036992671 343329845 /nfs/dbraw/zinc/32/98/45/343329845.db2.gz BXGFMEJRHMOQQA-NEPJUHHUSA-N 0 3 246.379 3.425 20 0 BGADHN C[C@@H](N[C@@H](C)Cc1cccs1)c1ccccn1 ZINC000036992672 343329728 /nfs/dbraw/zinc/32/97/28/343329728.db2.gz BXGFMEJRHMOQQA-NWDGAFQWSA-N 0 3 246.379 3.425 20 0 BGADHN C[C@H](Cc1cccs1)N[C@H](C)c1ccccn1 ZINC000036992673 343329842 /nfs/dbraw/zinc/32/98/42/343329842.db2.gz BXGFMEJRHMOQQA-VXGBXAGGSA-N 0 3 246.379 3.425 20 0 BGADHN C[C@@H](Cc1ccco1)N[C@@H](C)c1ccco1 ZINC000036993872 712528598 /nfs/dbraw/zinc/52/85/98/712528598.db2.gz IOLOLJXAHOGRSD-QWRGUYRKSA-N 0 3 219.284 3.154 20 0 BGADHN C[C@H](Cc1ccco1)N[C@@H](C)c1ccco1 ZINC000036993874 712528769 /nfs/dbraw/zinc/52/87/69/712528769.db2.gz IOLOLJXAHOGRSD-MNOVXSKESA-N 0 3 219.284 3.154 20 0 BGADHN C[C@@H](N[C@@H](C)Cc1ccco1)c1ccco1 ZINC000036993876 712528835 /nfs/dbraw/zinc/52/88/35/712528835.db2.gz IOLOLJXAHOGRSD-WDEREUQCSA-N 0 3 219.284 3.154 20 0 BGADHN C[C@H](Cc1ccco1)N[C@H](C)c1ccco1 ZINC000036993878 712528642 /nfs/dbraw/zinc/52/86/42/712528642.db2.gz IOLOLJXAHOGRSD-GHMZBOCLSA-N 0 3 219.284 3.154 20 0 BGADHN Cc1ccc([C@@H](C)N[C@@H](C)Cc2ccco2)o1 ZINC000036993921 712528789 /nfs/dbraw/zinc/52/87/89/712528789.db2.gz JUKNPSKFWUKUDK-CMPLNLGQSA-N 0 3 233.311 3.463 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H](C)Cc2ccco2)o1 ZINC000036993923 712528681 /nfs/dbraw/zinc/52/86/81/712528681.db2.gz JUKNPSKFWUKUDK-JQWIXIFHSA-N 0 3 233.311 3.463 20 0 BGADHN Cc1ccc([C@@H](C)N[C@H](C)Cc2ccco2)o1 ZINC000036993925 712528630 /nfs/dbraw/zinc/52/86/30/712528630.db2.gz JUKNPSKFWUKUDK-ZYHUDNBSSA-N 0 3 233.311 3.463 20 0 BGADHN Cc1ccc([C@H](C)N[C@H](C)Cc2ccco2)o1 ZINC000036993926 712528884 /nfs/dbraw/zinc/52/88/84/712528884.db2.gz JUKNPSKFWUKUDK-PWSUYJOCSA-N 0 3 233.311 3.463 20 0 BGADHN CCC[C@H](N)C(=O)Nc1ccccc1C(C)(C)C ZINC000037015997 343330732 /nfs/dbraw/zinc/33/07/32/343330732.db2.gz RSURCOJAYMQLKJ-LBPRGKRZSA-N 0 3 248.370 3.050 20 0 BGADHN CCC[C@@H](N)C(=O)Nc1ccccc1C(C)(C)C ZINC000037015998 169392162 /nfs/dbraw/zinc/39/21/62/169392162.db2.gz RSURCOJAYMQLKJ-GFCCVEGCSA-N 0 3 248.370 3.050 20 0 BGADHN CC(C)c1ccc(NC(=O)[C@@H](C)N)c(C(C)C)c1 ZINC000037023347 343331280 /nfs/dbraw/zinc/33/12/80/343331280.db2.gz RWJUXTCTXRMQJH-LLVKDONJSA-N 0 3 248.370 3.219 20 0 BGADHN CC(C)c1ccc(NC(=O)[C@H](C)N)c(C(C)C)c1 ZINC000037023349 343331237 /nfs/dbraw/zinc/33/12/37/343331237.db2.gz RWJUXTCTXRMQJH-NSHDSACASA-N 0 3 248.370 3.219 20 0 BGADHN CNCC(=O)Nc1ccc(C(C)C)cc1C(C)C ZINC000037023368 173334126 /nfs/dbraw/zinc/33/41/26/173334126.db2.gz WISXPADDAFEUGR-UHFFFAOYSA-N 0 3 248.370 3.091 20 0 BGADHN CCC[C@H](NCc1ccnn1C)c1ccccc1 ZINC000037062541 343332245 /nfs/dbraw/zinc/33/22/45/343332245.db2.gz JAGVTPWFYMFDKJ-HNNXBMFYSA-N 0 3 243.354 3.051 20 0 BGADHN CCC[C@@H](NCc1ccnn1C)c1ccccc1 ZINC000037062542 169401911 /nfs/dbraw/zinc/40/19/11/169401911.db2.gz JAGVTPWFYMFDKJ-OAHLLOKOSA-N 0 3 243.354 3.051 20 0 BGADHN COc1ccc(F)cc1[C@H](C)NC1CCCC1 ZINC000037089736 175133796 /nfs/dbraw/zinc/13/37/96/175133796.db2.gz UAXOKAHYLXASSX-JTQLQIEISA-N 0 3 237.318 3.428 20 0 BGADHN COc1ccc(F)cc1[C@@H](C)NC1CCCC1 ZINC000037089737 175132318 /nfs/dbraw/zinc/13/23/18/175132318.db2.gz UAXOKAHYLXASSX-SNVBAGLBSA-N 0 3 237.318 3.428 20 0 BGADHN COc1ccc(F)cc1[C@H](C)NCC(C)C ZINC000037089775 175133366 /nfs/dbraw/zinc/13/33/66/175133366.db2.gz UCDSTDHSHUGSSW-JTQLQIEISA-N 0 3 225.307 3.141 20 0 BGADHN COc1ccc(F)cc1[C@@H](C)NCC(C)C ZINC000037089776 175132846 /nfs/dbraw/zinc/13/28/46/175132846.db2.gz UCDSTDHSHUGSSW-SNVBAGLBSA-N 0 3 225.307 3.141 20 0 BGADHN CC[C@@H](C)N[C@@H](C)c1cc(F)ccc1OC ZINC000037089863 343333942 /nfs/dbraw/zinc/33/39/42/343333942.db2.gz XIZSWHJBOAYWAG-ZJUUUORDSA-N 0 3 225.307 3.283 20 0 BGADHN CC[C@H](C)N[C@@H](C)c1cc(F)ccc1OC ZINC000037089864 171345886 /nfs/dbraw/zinc/34/58/86/171345886.db2.gz XIZSWHJBOAYWAG-UWVGGRQHSA-N 0 3 225.307 3.283 20 0 BGADHN CC[C@@H](C)N[C@H](C)c1cc(F)ccc1OC ZINC000037089865 343333875 /nfs/dbraw/zinc/33/38/75/343333875.db2.gz XIZSWHJBOAYWAG-NXEZZACHSA-N 0 3 225.307 3.283 20 0 BGADHN CC[C@H](C)N[C@H](C)c1cc(F)ccc1OC ZINC000037089866 171347643 /nfs/dbraw/zinc/34/76/43/171347643.db2.gz XIZSWHJBOAYWAG-VHSXEESVSA-N 0 3 225.307 3.283 20 0 BGADHN COc1ccc(F)cc1[C@H](C)N[C@@H](C)C1CC1 ZINC000037089929 175133171 /nfs/dbraw/zinc/13/31/71/175133171.db2.gz ITXMXSFONIRFIF-UWVGGRQHSA-N 0 3 237.318 3.283 20 0 BGADHN COc1ccc(F)cc1[C@@H](C)N[C@@H](C)C1CC1 ZINC000037089930 175132399 /nfs/dbraw/zinc/13/23/99/175132399.db2.gz ITXMXSFONIRFIF-VHSXEESVSA-N 0 3 237.318 3.283 20 0 BGADHN COc1ccc(F)cc1[C@H](C)N[C@H](C)C1CC1 ZINC000037089931 175133436 /nfs/dbraw/zinc/13/34/36/175133436.db2.gz ITXMXSFONIRFIF-ZJUUUORDSA-N 0 3 237.318 3.283 20 0 BGADHN COc1ccc(F)cc1[C@@H](C)N[C@H](C)C1CC1 ZINC000037089932 175132446 /nfs/dbraw/zinc/13/24/46/175132446.db2.gz ITXMXSFONIRFIF-NXEZZACHSA-N 0 3 237.318 3.283 20 0 BGADHN CCCCN[C@@H](C)c1cc(F)ccc1OC ZINC000037090003 324262390 /nfs/dbraw/zinc/26/23/90/324262390.db2.gz HVSWORXPLDXIKW-JTQLQIEISA-N 0 3 225.307 3.285 20 0 BGADHN CCCCN[C@H](C)c1cc(F)ccc1OC ZINC000037090004 324261979 /nfs/dbraw/zinc/26/19/79/324261979.db2.gz HVSWORXPLDXIKW-SNVBAGLBSA-N 0 3 225.307 3.285 20 0 BGADHN FC(F)(F)C1CCC(NCc2ccco2)CC1 ZINC000037092505 383937673 /nfs/dbraw/zinc/93/76/73/383937673.db2.gz DRZLQQFSWYBREI-UHFFFAOYSA-N 0 3 247.260 3.490 20 0 BGADHN CN(Cc1ccc(Cl)nc1)C1CCCC1 ZINC000037092743 398300953 /nfs/dbraw/zinc/30/09/53/398300953.db2.gz YACWUXORXPVFDB-UHFFFAOYSA-N 0 3 224.735 3.109 20 0 BGADHN CCCN(Cc1ccc(Cl)nc1)C1CC1 ZINC000037097278 169174818 /nfs/dbraw/zinc/17/48/18/169174818.db2.gz MKORRMKXKWUJRQ-UHFFFAOYSA-N 0 3 224.735 3.109 20 0 BGADHN CCN(Cc1ccc(Cl)nc1)CC(C)C ZINC000037111565 342920909 /nfs/dbraw/zinc/92/09/09/342920909.db2.gz VNFAUBDSRIPFBJ-UHFFFAOYSA-N 0 3 226.751 3.213 20 0 BGADHN Cc1nc(CN[C@@H]2CCC[C@H](C)C2)cs1 ZINC000037117745 179971802 /nfs/dbraw/zinc/97/18/02/179971802.db2.gz RJMVSACJWDFBBV-GXSJLCMTSA-N 0 3 224.373 3.120 20 0 BGADHN Cc1nc(CN[C@H]2CCC[C@H](C)C2)cs1 ZINC000037117746 342921401 /nfs/dbraw/zinc/92/14/01/342921401.db2.gz RJMVSACJWDFBBV-ONGXEEELSA-N 0 3 224.373 3.120 20 0 BGADHN Cc1nc(CN[C@@H]2CCC[C@@H](C)C2)cs1 ZINC000037117747 342921466 /nfs/dbraw/zinc/92/14/66/342921466.db2.gz RJMVSACJWDFBBV-MWLCHTKSSA-N 0 3 224.373 3.120 20 0 BGADHN Cc1nc(CN[C@H]2CCC[C@@H](C)C2)cs1 ZINC000037117748 342921444 /nfs/dbraw/zinc/92/14/44/342921444.db2.gz RJMVSACJWDFBBV-KOLCDFICSA-N 0 3 224.373 3.120 20 0 BGADHN FC(F)(F)[C@H]1CCC[C@@H](NCc2ccco2)C1 ZINC000037141670 383945088 /nfs/dbraw/zinc/94/50/88/383945088.db2.gz CZVSOJRUYITISP-VHSXEESVSA-N 0 3 247.260 3.490 20 0 BGADHN FC(F)(F)[C@H]1CCC[C@H](NCc2ccco2)C1 ZINC000037141672 383945910 /nfs/dbraw/zinc/94/59/10/383945910.db2.gz CZVSOJRUYITISP-UWVGGRQHSA-N 0 3 247.260 3.490 20 0 BGADHN FC(F)(F)[C@@H]1CCC[C@@H](NCc2ccco2)C1 ZINC000037141673 383945956 /nfs/dbraw/zinc/94/59/56/383945956.db2.gz CZVSOJRUYITISP-NXEZZACHSA-N 0 3 247.260 3.490 20 0 BGADHN FC(F)(F)[C@@H]1CCC[C@H](NCc2ccco2)C1 ZINC000037141675 383945280 /nfs/dbraw/zinc/94/52/80/383945280.db2.gz CZVSOJRUYITISP-ZJUUUORDSA-N 0 3 247.260 3.490 20 0 BGADHN CCCCCN(C)Cc1ccc(Cl)nc1 ZINC000037165887 342923344 /nfs/dbraw/zinc/92/33/44/342923344.db2.gz UZUFQKMLUREBQM-UHFFFAOYSA-N 0 3 226.751 3.357 20 0 BGADHN Cc1c([C@@H](C)N[C@@H](C)c2cccs2)cnn1C ZINC000037167697 343337994 /nfs/dbraw/zinc/33/79/94/343337994.db2.gz GHCVYGIPCYEEPA-ZJUUUORDSA-N 0 3 249.383 3.202 20 0 BGADHN Cc1c([C@H](C)N[C@@H](C)c2cccs2)cnn1C ZINC000037167698 343337996 /nfs/dbraw/zinc/33/79/96/343337996.db2.gz GHCVYGIPCYEEPA-UWVGGRQHSA-N 0 3 249.383 3.202 20 0 BGADHN Cc1c([C@@H](C)N[C@H](C)c2cccs2)cnn1C ZINC000037167699 343337726 /nfs/dbraw/zinc/33/77/26/343337726.db2.gz GHCVYGIPCYEEPA-NXEZZACHSA-N 0 3 249.383 3.202 20 0 BGADHN Cc1c([C@H](C)N[C@H](C)c2cccs2)cnn1C ZINC000037167700 343337975 /nfs/dbraw/zinc/33/79/75/343337975.db2.gz GHCVYGIPCYEEPA-VHSXEESVSA-N 0 3 249.383 3.202 20 0 BGADHN CCCCCN(C)Cc1ccc(C(=O)OC)cc1 ZINC000037171910 323186707 /nfs/dbraw/zinc/18/67/07/323186707.db2.gz SHJDVMSMYYDRAE-UHFFFAOYSA-N 0 3 249.354 3.095 20 0 BGADHN CC[C@@H](C)CN(C)Cc1ccc(Cl)nc1 ZINC000037173080 342924077 /nfs/dbraw/zinc/92/40/77/342924077.db2.gz LMNQCIMQVNTHDR-SNVBAGLBSA-N 0 3 226.751 3.213 20 0 BGADHN CC[C@H](C)CN(C)Cc1ccc(Cl)nc1 ZINC000037173081 171275263 /nfs/dbraw/zinc/27/52/63/171275263.db2.gz LMNQCIMQVNTHDR-JTQLQIEISA-N 0 3 226.751 3.213 20 0 BGADHN Cc1nc([C@@H](C)NCC2CCC2)c(C)s1 ZINC000037179390 180035290 /nfs/dbraw/zinc/03/52/90/180035290.db2.gz ATPQVCSWYGWNJT-MRVPVSSYSA-N 0 3 224.373 3.211 20 0 BGADHN Cc1nc([C@H](C)NCC2CCC2)c(C)s1 ZINC000037179392 180049672 /nfs/dbraw/zinc/04/96/72/180049672.db2.gz ATPQVCSWYGWNJT-QMMMGPOBSA-N 0 3 224.373 3.211 20 0 BGADHN Fc1cccc(Cl)c1CNCC1CCC1 ZINC000037179741 342924430 /nfs/dbraw/zinc/92/44/30/342924430.db2.gz JWXNZVAIJGHNRE-UHFFFAOYSA-N 0 3 227.710 3.369 20 0 BGADHN C[C@H](NCC1CCC1)c1nc2ccccc2n1C ZINC000037179771 383954542 /nfs/dbraw/zinc/95/45/42/383954542.db2.gz ZPICXOVGWYNLRW-NSHDSACASA-N 0 3 243.354 3.024 20 0 BGADHN C[C@@H](NCC1CCC1)c1nc2ccccc2n1C ZINC000037179773 383954586 /nfs/dbraw/zinc/95/45/86/383954586.db2.gz ZPICXOVGWYNLRW-LLVKDONJSA-N 0 3 243.354 3.024 20 0 BGADHN C[C@H](NCC1CCC1)c1cc(F)ccc1F ZINC000037179787 387559999 /nfs/dbraw/zinc/55/99/99/387559999.db2.gz HGGGBIOJKPYFEH-VIFPVBQESA-N 0 3 225.282 3.416 20 0 BGADHN C[C@@H](NCC1CCC1)c1cc(F)ccc1F ZINC000037179789 387560184 /nfs/dbraw/zinc/56/01/84/387560184.db2.gz HGGGBIOJKPYFEH-SECBINFHSA-N 0 3 225.282 3.416 20 0 BGADHN C[C@H](NCC1CCC1)c1ccc(F)cc1F ZINC000037179841 385246837 /nfs/dbraw/zinc/24/68/37/385246837.db2.gz ZMAKUGWHOILGNX-VIFPVBQESA-N 0 3 225.282 3.416 20 0 BGADHN C[C@@H](NCC1CCC1)c1ccc(F)cc1F ZINC000037179843 385246965 /nfs/dbraw/zinc/24/69/65/385246965.db2.gz ZMAKUGWHOILGNX-SECBINFHSA-N 0 3 225.282 3.416 20 0 BGADHN C[C@H](NCC1CCC1)c1c(F)cccc1F ZINC000037180086 387559199 /nfs/dbraw/zinc/55/91/99/387559199.db2.gz CILKCIOJVCOPDG-VIFPVBQESA-N 0 3 225.282 3.416 20 0 BGADHN C[C@@H](NCC1CCC1)c1c(F)cccc1F ZINC000037180088 387560961 /nfs/dbraw/zinc/56/09/61/387560961.db2.gz CILKCIOJVCOPDG-SECBINFHSA-N 0 3 225.282 3.416 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CNCC2CCC2)o1 ZINC000037180182 387559933 /nfs/dbraw/zinc/55/99/33/387559933.db2.gz KEQLXQUVJKTLKC-MFKMUULPSA-N 0 3 219.328 3.293 20 0 BGADHN C[C@H]1C[C@@H]1c1ccc(CNCC2CCC2)o1 ZINC000037180184 177351372 /nfs/dbraw/zinc/35/13/72/177351372.db2.gz KEQLXQUVJKTLKC-GWCFXTLKSA-N 0 3 219.328 3.293 20 0 BGADHN C[C@@H]1C[C@H]1c1ccc(CNCC2CCC2)o1 ZINC000037180187 387559668 /nfs/dbraw/zinc/55/96/68/387559668.db2.gz KEQLXQUVJKTLKC-ZWNOBZJWSA-N 0 3 219.328 3.293 20 0 BGADHN C[C@H]1C[C@H]1c1ccc(CNCC2CCC2)o1 ZINC000037180189 358469717 /nfs/dbraw/zinc/46/97/17/358469717.db2.gz KEQLXQUVJKTLKC-GXFFZTMASA-N 0 3 219.328 3.293 20 0 BGADHN Clc1ccccc1CNCC1CCC1 ZINC000037180374 348032698 /nfs/dbraw/zinc/03/26/98/348032698.db2.gz JORQEQKSSHUBHZ-UHFFFAOYSA-N 0 3 209.720 3.230 20 0 BGADHN Fc1ccc(CNCC2CCC2)c(Cl)c1 ZINC000037180672 342924352 /nfs/dbraw/zinc/92/43/52/342924352.db2.gz DQHKKYKOWSBKLV-UHFFFAOYSA-N 0 3 227.710 3.369 20 0 BGADHN C[C@H](NC1CC1)c1ccc(F)cc1Cl ZINC000037183819 383954527 /nfs/dbraw/zinc/95/45/27/383954527.db2.gz KFAYNAIFVCBNFD-ZETCQYMHSA-N 0 3 213.683 3.292 20 0 BGADHN C[C@@H](NC1CC1)c1ccc(F)cc1Cl ZINC000037183820 383953772 /nfs/dbraw/zinc/95/37/72/383953772.db2.gz KFAYNAIFVCBNFD-SSDOTTSWSA-N 0 3 213.683 3.292 20 0 BGADHN C[C@H](NC1CC1)c1sccc1Br ZINC000037183863 398305267 /nfs/dbraw/zinc/30/52/67/398305267.db2.gz JMPRVWMBASZRRH-LURJTMIESA-N 0 3 246.173 3.324 20 0 BGADHN C[C@@H](NC1CC1)c1sccc1Br ZINC000037183864 398305359 /nfs/dbraw/zinc/30/53/59/398305359.db2.gz JMPRVWMBASZRRH-ZCFIWIBFSA-N 0 3 246.173 3.324 20 0 BGADHN CCN[C@@H](C)c1ccc(F)cc1Cl ZINC000037184600 170141697 /nfs/dbraw/zinc/14/16/97/170141697.db2.gz PFDFBRBYWCBHML-ZETCQYMHSA-N 0 3 201.672 3.150 20 0 BGADHN CCN[C@H](C)c1ccc(F)cc1Cl ZINC000037184601 170159579 /nfs/dbraw/zinc/15/95/79/170159579.db2.gz PFDFBRBYWCBHML-SSDOTTSWSA-N 0 3 201.672 3.150 20 0 BGADHN CCN[C@@H](C)c1sccc1Br ZINC000037184629 170142590 /nfs/dbraw/zinc/14/25/90/170142590.db2.gz OBNUTTKXCLPCRM-LURJTMIESA-N 0 3 234.162 3.181 20 0 BGADHN CCN[C@H](C)c1sccc1Br ZINC000037184630 170160698 /nfs/dbraw/zinc/16/06/98/170160698.db2.gz OBNUTTKXCLPCRM-ZCFIWIBFSA-N 0 3 234.162 3.181 20 0 BGADHN c1ccc2nc(CNC3CCCCC3)cnc2c1 ZINC000037185977 487843134 /nfs/dbraw/zinc/84/31/34/487843134.db2.gz FAEPHBXWLVVJNA-UHFFFAOYSA-N 0 3 241.338 3.052 20 0 BGADHN COCCN[C@H](C)c1oc2ccccc2c1C ZINC000037186332 174340046 /nfs/dbraw/zinc/34/00/46/174340046.db2.gz UFKAGWCRYSWWMK-LLVKDONJSA-N 0 3 233.311 3.038 20 0 BGADHN COCCN[C@@H](C)c1oc2ccccc2c1C ZINC000037186333 174338338 /nfs/dbraw/zinc/33/83/38/174338338.db2.gz UFKAGWCRYSWWMK-NSHDSACASA-N 0 3 233.311 3.038 20 0 BGADHN CC[C@@H](C)N[C@@H](C)c1ccc(OC)cc1F ZINC000037186541 343338226 /nfs/dbraw/zinc/33/82/26/343338226.db2.gz BGTQOLZODKYJGH-ZJUUUORDSA-N 0 3 225.307 3.283 20 0 BGADHN CC[C@H](C)N[C@@H](C)c1ccc(OC)cc1F ZINC000037186542 171345663 /nfs/dbraw/zinc/34/56/63/171345663.db2.gz BGTQOLZODKYJGH-UWVGGRQHSA-N 0 3 225.307 3.283 20 0 BGADHN CC[C@@H](C)N[C@H](C)c1ccc(OC)cc1F ZINC000037186543 343338217 /nfs/dbraw/zinc/33/82/17/343338217.db2.gz BGTQOLZODKYJGH-NXEZZACHSA-N 0 3 225.307 3.283 20 0 BGADHN CC[C@H](C)N[C@H](C)c1ccc(OC)cc1F ZINC000037186544 171347808 /nfs/dbraw/zinc/34/78/08/171347808.db2.gz BGTQOLZODKYJGH-VHSXEESVSA-N 0 3 225.307 3.283 20 0 BGADHN COc1ccc([C@H](C)NC2CCCC2)c(F)c1 ZINC000037186862 175187995 /nfs/dbraw/zinc/18/79/95/175187995.db2.gz CEYQJBJBDUQFFR-JTQLQIEISA-N 0 3 237.318 3.428 20 0 BGADHN COc1ccc([C@@H](C)NC2CCCC2)c(F)c1 ZINC000037186863 383955166 /nfs/dbraw/zinc/95/51/66/383955166.db2.gz CEYQJBJBDUQFFR-SNVBAGLBSA-N 0 3 237.318 3.428 20 0 BGADHN FC(F)SCc1ccc(CNCC2CC2)o1 ZINC000037187283 343338485 /nfs/dbraw/zinc/33/84/85/343338485.db2.gz GHNSCRCVVOJKIE-UHFFFAOYSA-N 0 3 247.310 3.235 20 0 BGADHN COC[C@H](C)N[C@H](C)c1oc2ccccc2c1C ZINC000037196135 344497655 /nfs/dbraw/zinc/49/76/55/344497655.db2.gz SVVCFNISDKWMOZ-CMPLNLGQSA-N 0 3 247.338 3.427 20 0 BGADHN COC[C@H](C)N[C@@H](C)c1oc2ccccc2c1C ZINC000037196136 344497375 /nfs/dbraw/zinc/49/73/75/344497375.db2.gz SVVCFNISDKWMOZ-JQWIXIFHSA-N 0 3 247.338 3.427 20 0 BGADHN COC[C@@H](C)N[C@H](C)c1oc2ccccc2c1C ZINC000037196137 385022102 /nfs/dbraw/zinc/02/21/02/385022102.db2.gz SVVCFNISDKWMOZ-ZYHUDNBSSA-N 0 3 247.338 3.427 20 0 BGADHN COC[C@@H](C)N[C@@H](C)c1oc2ccccc2c1C ZINC000037196138 385022087 /nfs/dbraw/zinc/02/20/87/385022087.db2.gz SVVCFNISDKWMOZ-PWSUYJOCSA-N 0 3 247.338 3.427 20 0 BGADHN COC[C@H](C)N[C@@H](C)c1ccc(F)cc1Cl ZINC000037196251 343338646 /nfs/dbraw/zinc/33/86/46/343338646.db2.gz DDRBPAQWCWBIED-IUCAKERBSA-N 0 3 245.725 3.165 20 0 BGADHN COC[C@@H](C)N[C@@H](C)c1ccc(F)cc1Cl ZINC000037196252 383953908 /nfs/dbraw/zinc/95/39/08/383953908.db2.gz DDRBPAQWCWBIED-BDAKNGLRSA-N 0 3 245.725 3.165 20 0 BGADHN COC[C@H](C)N[C@H](C)c1ccc(F)cc1Cl ZINC000037196253 343338856 /nfs/dbraw/zinc/33/88/56/343338856.db2.gz DDRBPAQWCWBIED-DTWKUNHWSA-N 0 3 245.725 3.165 20 0 BGADHN COC[C@@H](C)N[C@H](C)c1ccc(F)cc1Cl ZINC000037196254 383954137 /nfs/dbraw/zinc/95/41/37/383954137.db2.gz DDRBPAQWCWBIED-RKDXNWHRSA-N 0 3 245.725 3.165 20 0 BGADHN CCCCN[C@@H](C)c1ccc(OC)cc1F ZINC000037197960 323193413 /nfs/dbraw/zinc/19/34/13/323193413.db2.gz JYAKSRQRRSXSJM-JTQLQIEISA-N 0 3 225.307 3.285 20 0 BGADHN CCCCN[C@H](C)c1ccc(OC)cc1F ZINC000037197961 323193339 /nfs/dbraw/zinc/19/33/39/323193339.db2.gz JYAKSRQRRSXSJM-SNVBAGLBSA-N 0 3 225.307 3.285 20 0 BGADHN CCCC[C@@H](C)NCc1ccccc1F ZINC000037211967 487861487 /nfs/dbraw/zinc/86/14/87/487861487.db2.gz PPPDZSOFKUIZSS-LLVKDONJSA-N 0 3 209.308 3.494 20 0 BGADHN CCCC[C@H](C)NCc1ccccc1F ZINC000037211968 398311578 /nfs/dbraw/zinc/31/15/78/398311578.db2.gz PPPDZSOFKUIZSS-NSHDSACASA-N 0 3 209.308 3.494 20 0 BGADHN CCCC[C@@H](C)N[C@@H](C)c1ccccn1 ZINC000037218873 342925789 /nfs/dbraw/zinc/92/57/89/342925789.db2.gz FBKVQVOTQHRINJ-NEPJUHHUSA-N 0 3 206.333 3.311 20 0 BGADHN CCCC[C@H](C)N[C@@H](C)c1ccccn1 ZINC000037218874 342925768 /nfs/dbraw/zinc/92/57/68/342925768.db2.gz FBKVQVOTQHRINJ-RYUDHWBXSA-N 0 3 206.333 3.311 20 0 BGADHN CCCC[C@@H](C)N[C@H](C)c1ccccn1 ZINC000037218875 342925760 /nfs/dbraw/zinc/92/57/60/342925760.db2.gz FBKVQVOTQHRINJ-VXGBXAGGSA-N 0 3 206.333 3.311 20 0 BGADHN CCCC[C@H](C)N[C@H](C)c1ccccn1 ZINC000037218876 342925741 /nfs/dbraw/zinc/92/57/41/342925741.db2.gz FBKVQVOTQHRINJ-NWDGAFQWSA-N 0 3 206.333 3.311 20 0 BGADHN Fc1ccc(F)c(CNC2CCCCC2)c1 ZINC000037228226 180974056 /nfs/dbraw/zinc/97/40/56/180974056.db2.gz LWPJIZFZAZWYPF-UHFFFAOYSA-N 0 3 225.282 3.387 20 0 BGADHN CCC[C@@H](C)NCc1cc(F)ccc1F ZINC000037228259 322827514 /nfs/dbraw/zinc/82/75/14/322827514.db2.gz YEZOLXXOSCVNDR-SECBINFHSA-N 0 3 213.271 3.243 20 0 BGADHN CCC[C@H](C)NCc1cc(F)ccc1F ZINC000037228260 322827636 /nfs/dbraw/zinc/82/76/36/322827636.db2.gz YEZOLXXOSCVNDR-VIFPVBQESA-N 0 3 213.271 3.243 20 0 BGADHN Fc1ccc(F)c(CNCCc2ccccc2)c1 ZINC000037228362 363879575 /nfs/dbraw/zinc/87/95/75/363879575.db2.gz WNXRHHGGDNZILF-UHFFFAOYSA-N 0 3 247.288 3.297 20 0 BGADHN Cc1cccc([C@@H](C)NCc2cccnc2)c1 ZINC000037232198 179183298 /nfs/dbraw/zinc/18/32/98/179183298.db2.gz IOYCDZQPWIEYRH-CYBMUJFWSA-N 0 3 226.323 3.241 20 0 BGADHN Cc1cccc([C@H](C)NCc2cccnc2)c1 ZINC000037232199 179196854 /nfs/dbraw/zinc/19/68/54/179196854.db2.gz IOYCDZQPWIEYRH-ZDUSSCGKSA-N 0 3 226.323 3.241 20 0 BGADHN COCCCN[C@@H](C)c1ccc(F)cc1Cl ZINC000037232439 174249722 /nfs/dbraw/zinc/24/97/22/174249722.db2.gz OKZMVEAHRCPGAE-VIFPVBQESA-N 0 3 245.725 3.166 20 0 BGADHN COCCCN[C@H](C)c1ccc(F)cc1Cl ZINC000037232440 174250802 /nfs/dbraw/zinc/25/08/02/174250802.db2.gz OKZMVEAHRCPGAE-SECBINFHSA-N 0 3 245.725 3.166 20 0 BGADHN CC[C@@H](CO)N[C@@H](C)c1oc2ccccc2c1C ZINC000037238369 383961947 /nfs/dbraw/zinc/96/19/47/383961947.db2.gz UWZXVOJBYGSBFA-RYUDHWBXSA-N 0 3 247.338 3.163 20 0 BGADHN CC[C@H](CO)N[C@@H](C)c1oc2ccccc2c1C ZINC000037238371 383962110 /nfs/dbraw/zinc/96/21/10/383962110.db2.gz UWZXVOJBYGSBFA-NWDGAFQWSA-N 0 3 247.338 3.163 20 0 BGADHN CC[C@@H](CO)N[C@H](C)c1oc2ccccc2c1C ZINC000037238373 383961710 /nfs/dbraw/zinc/96/17/10/383961710.db2.gz UWZXVOJBYGSBFA-NEPJUHHUSA-N 0 3 247.338 3.163 20 0 BGADHN CC[C@H](CO)N[C@H](C)c1oc2ccccc2c1C ZINC000037238375 383962153 /nfs/dbraw/zinc/96/21/53/383962153.db2.gz UWZXVOJBYGSBFA-VXGBXAGGSA-N 0 3 247.338 3.163 20 0 BGADHN CO[C@@H]1CCCC[C@@H]1N[C@@H]1CCCc2occc21 ZINC000037242115 343340987 /nfs/dbraw/zinc/34/09/87/343340987.db2.gz SPJSVLKTOJSKED-VNHYZAJKSA-N 0 3 249.354 3.204 20 0 BGADHN CO[C@H]1CCCC[C@@H]1N[C@@H]1CCCc2occc21 ZINC000037242117 388607120 /nfs/dbraw/zinc/60/71/20/388607120.db2.gz SPJSVLKTOJSKED-IPYPFGDCSA-N 0 3 249.354 3.204 20 0 BGADHN CO[C@@H]1CCCC[C@H]1N[C@@H]1CCCc2occc21 ZINC000037242119 343340865 /nfs/dbraw/zinc/34/08/65/343340865.db2.gz SPJSVLKTOJSKED-UMVBOHGHSA-N 0 3 249.354 3.204 20 0 BGADHN Cc1ccc(CNCC2CCCCC2)o1 ZINC000037248323 342925536 /nfs/dbraw/zinc/92/55/36/342925536.db2.gz RUILPKFGWLKIJW-UHFFFAOYSA-N 0 3 207.317 3.258 20 0 BGADHN Cc1nc(CNCC2CCCCC2)cs1 ZINC000037248377 342925440 /nfs/dbraw/zinc/92/54/40/342925440.db2.gz GQBLRGQMYIMABA-UHFFFAOYSA-N 0 3 224.373 3.121 20 0 BGADHN C[C@@H]1CCC[C@H](NCc2cn3ccccc3n2)C1 ZINC000037248796 176144150 /nfs/dbraw/zinc/14/41/50/176144150.db2.gz RVQXLMZOHOLMIO-OLZOCXBDSA-N 0 3 243.354 3.003 20 0 BGADHN C[C@H]1CCC[C@H](NCc2cn3ccccc3n2)C1 ZINC000037248798 177137377 /nfs/dbraw/zinc/13/73/77/177137377.db2.gz RVQXLMZOHOLMIO-STQMWFEESA-N 0 3 243.354 3.003 20 0 BGADHN C[C@@H]1CCC[C@@H](NCc2cn3ccccc3n2)C1 ZINC000037248800 176123676 /nfs/dbraw/zinc/12/36/76/176123676.db2.gz RVQXLMZOHOLMIO-CHWSQXEVSA-N 0 3 243.354 3.003 20 0 BGADHN C[C@H]1CCC[C@@H](NCc2cn3ccccc3n2)C1 ZINC000037248802 177123049 /nfs/dbraw/zinc/12/30/49/177123049.db2.gz RVQXLMZOHOLMIO-QWHCGFSZSA-N 0 3 243.354 3.003 20 0 BGADHN c1c(CNCC2CCCCC2)nc2ccccn12 ZINC000037248804 383964270 /nfs/dbraw/zinc/96/42/70/383964270.db2.gz ZWJBAWQRMGBNSU-UHFFFAOYSA-N 0 3 243.354 3.004 20 0 BGADHN CC[C@H](NCCO)c1ccc(Cl)c(Cl)c1 ZINC000037250480 342925948 /nfs/dbraw/zinc/92/59/48/342925948.db2.gz RSGQBCQJEOTQOO-NSHDSACASA-N 0 3 248.153 3.026 20 0 BGADHN CC[C@@H](NCCO)c1ccc(Cl)c(Cl)c1 ZINC000037250482 384488740 /nfs/dbraw/zinc/48/87/40/384488740.db2.gz RSGQBCQJEOTQOO-LLVKDONJSA-N 0 3 248.153 3.026 20 0 BGADHN Fc1ccc(CNCC2CCCC2)c(F)c1 ZINC000037252108 388613221 /nfs/dbraw/zinc/61/32/21/388613221.db2.gz RMTJPKGKQCQXSC-UHFFFAOYSA-N 0 3 225.282 3.245 20 0 BGADHN COc1ccc([C@H](C)NCC2CCC2)c(F)c1 ZINC000037253724 175188557 /nfs/dbraw/zinc/18/85/57/175188557.db2.gz GHFLKJUIDBPWCE-JTQLQIEISA-N 0 3 237.318 3.285 20 0 BGADHN COc1ccc([C@@H](C)NCC2CCC2)c(F)c1 ZINC000037253726 188082554 /nfs/dbraw/zinc/08/25/54/188082554.db2.gz GHFLKJUIDBPWCE-SNVBAGLBSA-N 0 3 237.318 3.285 20 0 BGADHN CC(C)C[C@@H](C)NCc1cnc2ccccc2n1 ZINC000037255586 361783722 /nfs/dbraw/zinc/78/37/22/361783722.db2.gz XVEINOIFVVFYAA-GFCCVEGCSA-N 0 3 243.354 3.154 20 0 BGADHN CC(C)C[C@H](C)NCc1cnc2ccccc2n1 ZINC000037255588 361783236 /nfs/dbraw/zinc/78/32/36/361783236.db2.gz XVEINOIFVVFYAA-LBPRGKRZSA-N 0 3 243.354 3.154 20 0 BGADHN Fc1ccc(F)c(CNCC2CCCC2)c1 ZINC000037257419 388616780 /nfs/dbraw/zinc/61/67/80/388616780.db2.gz YPSAXYFPHGHDFA-UHFFFAOYSA-N 0 3 225.282 3.245 20 0 BGADHN Fc1cccc(F)c1CNCC1CCCC1 ZINC000037258218 324495422 /nfs/dbraw/zinc/49/54/22/324495422.db2.gz MPMJTQNRYPEGNV-UHFFFAOYSA-N 0 3 225.282 3.245 20 0 BGADHN COc1ccc([C@H](C)N[C@@H](C)C2CC2)c(F)c1 ZINC000037259405 175189036 /nfs/dbraw/zinc/18/90/36/175189036.db2.gz OZWVNCRWHXAGDD-UWVGGRQHSA-N 0 3 237.318 3.283 20 0 BGADHN COc1ccc([C@@H](C)N[C@@H](C)C2CC2)c(F)c1 ZINC000037259408 175177060 /nfs/dbraw/zinc/17/70/60/175177060.db2.gz OZWVNCRWHXAGDD-VHSXEESVSA-N 0 3 237.318 3.283 20 0 BGADHN COc1ccc([C@H](C)N[C@H](C)C2CC2)c(F)c1 ZINC000037259410 175189559 /nfs/dbraw/zinc/18/95/59/175189559.db2.gz OZWVNCRWHXAGDD-ZJUUUORDSA-N 0 3 237.318 3.283 20 0 BGADHN COc1ccc([C@@H](C)N[C@H](C)C2CC2)c(F)c1 ZINC000037259412 175177739 /nfs/dbraw/zinc/17/77/39/175177739.db2.gz OZWVNCRWHXAGDD-NXEZZACHSA-N 0 3 237.318 3.283 20 0 BGADHN CC(C)C[C@@H](C)NCc1cc(F)ccc1F ZINC000037260279 388617041 /nfs/dbraw/zinc/61/70/41/388617041.db2.gz XDEQAXQLQDBIJK-SNVBAGLBSA-N 0 3 227.298 3.489 20 0 BGADHN CC(C)C[C@H](C)NCc1cc(F)ccc1F ZINC000037260281 324496458 /nfs/dbraw/zinc/49/64/58/324496458.db2.gz XDEQAXQLQDBIJK-JTQLQIEISA-N 0 3 227.298 3.489 20 0 BGADHN CC(C)C[C@@H](C)NCc1ccc(F)cc1F ZINC000037264446 388625788 /nfs/dbraw/zinc/62/57/88/388625788.db2.gz JBKMAVIDICCVPS-SNVBAGLBSA-N 0 3 227.298 3.489 20 0 BGADHN CC(C)C[C@H](C)NCc1ccc(F)cc1F ZINC000037264447 324520557 /nfs/dbraw/zinc/52/05/57/324520557.db2.gz JBKMAVIDICCVPS-JTQLQIEISA-N 0 3 227.298 3.489 20 0 BGADHN CC(C)C[C@@H](C)N[C@@H](C)C(=O)Nc1ccccc1 ZINC000037264818 343342348 /nfs/dbraw/zinc/34/23/48/343342348.db2.gz MNODZJIKTUZTAB-OLZOCXBDSA-N 0 3 248.370 3.038 20 0 BGADHN CC(C)C[C@H](C)N[C@@H](C)C(=O)Nc1ccccc1 ZINC000037264819 343342193 /nfs/dbraw/zinc/34/21/93/343342193.db2.gz MNODZJIKTUZTAB-STQMWFEESA-N 0 3 248.370 3.038 20 0 BGADHN CC(C)C[C@@H](C)N[C@H](C)C(=O)Nc1ccccc1 ZINC000037264820 343342165 /nfs/dbraw/zinc/34/21/65/343342165.db2.gz MNODZJIKTUZTAB-CHWSQXEVSA-N 0 3 248.370 3.038 20 0 BGADHN CC(C)C[C@H](C)N[C@H](C)C(=O)Nc1ccccc1 ZINC000037264821 188286846 /nfs/dbraw/zinc/28/68/46/188286846.db2.gz MNODZJIKTUZTAB-QWHCGFSZSA-N 0 3 248.370 3.038 20 0 BGADHN CCOCCN[C@@H](C)c1oc2ccccc2c1C ZINC000037269067 383967242 /nfs/dbraw/zinc/96/72/42/383967242.db2.gz UWPOFQYFAHFQSL-LBPRGKRZSA-N 0 3 247.338 3.428 20 0 BGADHN CCOCCN[C@H](C)c1oc2ccccc2c1C ZINC000037269069 383968619 /nfs/dbraw/zinc/96/86/19/383968619.db2.gz UWPOFQYFAHFQSL-GFCCVEGCSA-N 0 3 247.338 3.428 20 0 BGADHN CO[C@H]1CCCC[C@@H]1N[C@H](C)c1ccc(C)o1 ZINC000037280822 323220493 /nfs/dbraw/zinc/22/04/93/323220493.db2.gz UCEKUJMBOXYJMB-DYEKYZERSA-N 0 3 237.343 3.196 20 0 BGADHN CO[C@H]1CCCC[C@@H]1N[C@@H](C)c1ccc(C)o1 ZINC000037280824 323220441 /nfs/dbraw/zinc/22/04/41/323220441.db2.gz UCEKUJMBOXYJMB-OBJOEFQTSA-N 0 3 237.343 3.196 20 0 BGADHN CCNCc1cc(Br)ccc1Cl ZINC000037287964 170124034 /nfs/dbraw/zinc/12/40/34/170124034.db2.gz UWUBLZKBOLQXRT-UHFFFAOYSA-N 0 3 248.551 3.212 20 0 BGADHN CO[C@H]1CCCC[C@@H]1N[C@@H](C)c1cccc(O)c1 ZINC000037319312 388643114 /nfs/dbraw/zinc/64/31/14/388643114.db2.gz YCKYFJBBOCGERK-CQDKDKBSSA-N 0 3 249.354 3.000 20 0 BGADHN CO[C@H]1CCCC[C@@H]1N[C@H](C)c1cccc(O)c1 ZINC000037319313 324566700 /nfs/dbraw/zinc/56/67/00/324566700.db2.gz YCKYFJBBOCGERK-UGFHNGPFSA-N 0 3 249.354 3.000 20 0 BGADHN CCCCN(C)CCC(=O)c1ccc(F)cc1 ZINC000037322377 343343523 /nfs/dbraw/zinc/34/35/23/343343523.db2.gz XBVQUPGNBPOOOD-UHFFFAOYSA-N 0 3 237.318 3.130 20 0 BGADHN CCCN(CCC(=O)c1ccc(F)cc1)C1CC1 ZINC000037323098 169140241 /nfs/dbraw/zinc/14/02/41/169140241.db2.gz DNXPKZIBNYNBMR-UHFFFAOYSA-N 0 3 249.329 3.273 20 0 BGADHN CCNCc1ccc(Br)cc1Cl ZINC000037366876 170126962 /nfs/dbraw/zinc/12/69/62/170126962.db2.gz GHYTWIKUFSDMLD-UHFFFAOYSA-N 0 3 248.551 3.212 20 0 BGADHN Cc1cccc(C(C)C)c1NC(=O)CNC(C)C ZINC000037386042 358079387 /nfs/dbraw/zinc/07/93/87/358079387.db2.gz SBPVCEYZDANNMA-UHFFFAOYSA-N 0 3 248.370 3.055 20 0 BGADHN c1c(CNC2CCCCCC2)nc2ccccn12 ZINC000037388270 383975266 /nfs/dbraw/zinc/97/52/66/383975266.db2.gz RWCMIWLCOSFUFZ-UHFFFAOYSA-N 0 3 243.354 3.147 20 0 BGADHN FC(F)n1ccnc1CNC1CCCCCC1 ZINC000037389716 343344818 /nfs/dbraw/zinc/34/48/18/343344818.db2.gz TWLIHBAIYPCGME-UHFFFAOYSA-N 0 3 243.301 3.091 20 0 BGADHN CCC1CCC(NCc2cccnc2OC)CC1 ZINC000037408163 344506886 /nfs/dbraw/zinc/50/68/86/344506886.db2.gz MQCQVRBHNOVSSM-UHFFFAOYSA-N 0 3 248.370 3.149 20 0 BGADHN CC(C)CNCc1cc(-c2ccccc2)on1 ZINC000037455436 167008733 /nfs/dbraw/zinc/00/87/33/167008733.db2.gz JJSHLNABZJHBRM-UHFFFAOYSA-N 0 3 230.311 3.087 20 0 BGADHN CC(C)NCc1nc2cc(Cl)ccc2s1 ZINC000037474984 167121071 /nfs/dbraw/zinc/12/10/71/167121071.db2.gz HISJBVDBOAUISA-UHFFFAOYSA-N 0 3 240.759 3.448 20 0 BGADHN Clc1ccccc1CNCCc1ccncc1 ZINC000037486111 358474300 /nfs/dbraw/zinc/47/43/00/358474300.db2.gz QSKIOOZMSDATSY-UHFFFAOYSA-N 0 3 246.741 3.067 20 0 BGADHN CCCCCNCc1ccc(Cl)o1 ZINC000037486946 520226899 /nfs/dbraw/zinc/22/68/99/520226899.db2.gz BRROIPUESAFIMB-UHFFFAOYSA-N 0 3 201.697 3.213 20 0 BGADHN Clc1ccc(CNC2CCCCC2)o1 ZINC000037486960 385659813 /nfs/dbraw/zinc/65/98/13/385659813.db2.gz CFGQRSBINZYBRM-UHFFFAOYSA-N 0 3 213.708 3.355 20 0 BGADHN Clc1ccc(CNCCc2ccccc2)o1 ZINC000037486961 180579672 /nfs/dbraw/zinc/57/96/72/180579672.db2.gz OGJDFAOMAKAWEK-UHFFFAOYSA-N 0 3 235.714 3.265 20 0 BGADHN CC(C)CCNCc1ccc(Cl)o1 ZINC000037486973 384507665 /nfs/dbraw/zinc/50/76/65/384507665.db2.gz HTCUZEOUMBONQI-UHFFFAOYSA-N 0 3 201.697 3.069 20 0 BGADHN CCC(CC)NCc1ccc(Cl)o1 ZINC000037487013 521596609 /nfs/dbraw/zinc/59/66/09/521596609.db2.gz DQRZJLIFCLWGBV-UHFFFAOYSA-N 0 3 201.697 3.211 20 0 BGADHN CCC[C@@H](C)NCc1ccc(Cl)o1 ZINC000037487036 364064546 /nfs/dbraw/zinc/06/45/46/364064546.db2.gz AHDLLVIIIJWDDA-MRVPVSSYSA-N 0 3 201.697 3.211 20 0 BGADHN CCC[C@H](C)NCc1ccc(Cl)o1 ZINC000037487037 364064500 /nfs/dbraw/zinc/06/45/00/364064500.db2.gz AHDLLVIIIJWDDA-QMMMGPOBSA-N 0 3 201.697 3.211 20 0 BGADHN CC(C)[C@@H](C)NCc1ccc(Cl)o1 ZINC000037487070 167381817 /nfs/dbraw/zinc/38/18/17/167381817.db2.gz CQVXIZPGOCILPX-MRVPVSSYSA-N 0 3 201.697 3.067 20 0 BGADHN CC(C)[C@H](C)NCc1ccc(Cl)o1 ZINC000037487071 187761613 /nfs/dbraw/zinc/76/16/13/187761613.db2.gz CQVXIZPGOCILPX-QMMMGPOBSA-N 0 3 201.697 3.067 20 0 BGADHN COc1cccc(CNCc2sccc2C)c1 ZINC000037487082 175265843 /nfs/dbraw/zinc/26/58/43/175265843.db2.gz NLIAEFAQTLCNQI-UHFFFAOYSA-N 0 3 247.363 3.355 20 0 BGADHN COc1cccc(CNCc2ccsc2)c1 ZINC000037487084 175265357 /nfs/dbraw/zinc/26/53/57/175265357.db2.gz UPURDTXTTMJOPN-UHFFFAOYSA-N 0 3 233.336 3.047 20 0 BGADHN COc1cccc(CNCc2ccc(C)s2)c1 ZINC000037487087 175265207 /nfs/dbraw/zinc/26/52/07/175265207.db2.gz TXKNPKHVDPYXKN-UHFFFAOYSA-N 0 3 247.363 3.355 20 0 BGADHN Cc1ccccc1CNCc1ccsc1 ZINC000037487172 179282467 /nfs/dbraw/zinc/28/24/67/179282467.db2.gz KOUVAGGEPKTJGU-UHFFFAOYSA-N 0 3 217.337 3.346 20 0 BGADHN Clc1ccc(CNCCc2cccs2)o1 ZINC000037487194 342938655 /nfs/dbraw/zinc/93/86/55/342938655.db2.gz ABXZBASHPAGBIT-UHFFFAOYSA-N 0 3 241.743 3.327 20 0 BGADHN CC(C)COCCCNCc1ccc(Cl)o1 ZINC000037487756 188083083 /nfs/dbraw/zinc/08/30/83/188083083.db2.gz DRXZKFZZMWTFAU-UHFFFAOYSA-N 0 3 245.750 3.085 20 0 BGADHN CC(C)(C)CCNCc1ccccc1F ZINC000037488844 166571383 /nfs/dbraw/zinc/57/13/83/166571383.db2.gz DLBCLKNCYKMAAY-UHFFFAOYSA-N 0 3 209.308 3.352 20 0 BGADHN C[C@H](NCCC(C)(C)C)c1ccccn1 ZINC000037488948 383981330 /nfs/dbraw/zinc/98/13/30/383981330.db2.gz AMFKXUMHYGOHSN-NSHDSACASA-N 0 3 206.333 3.168 20 0 BGADHN C[C@@H](NCCC(C)(C)C)c1ccccn1 ZINC000037488949 383981287 /nfs/dbraw/zinc/98/12/87/383981287.db2.gz AMFKXUMHYGOHSN-LLVKDONJSA-N 0 3 206.333 3.168 20 0 BGADHN Fc1ccccc1CNCCC1CCCC1 ZINC000037492933 323285463 /nfs/dbraw/zinc/28/54/63/323285463.db2.gz LFSBLKYZSIEJPH-UHFFFAOYSA-N 0 3 221.319 3.496 20 0 BGADHN Cc1ccc(CNCCC2CCCC2)o1 ZINC000037492981 178604290 /nfs/dbraw/zinc/60/42/90/178604290.db2.gz QCELXNCAFWPFCC-UHFFFAOYSA-N 0 3 207.317 3.258 20 0 BGADHN Cc1nc(CNCCC2CCCC2)cs1 ZINC000037493001 342938569 /nfs/dbraw/zinc/93/85/69/342938569.db2.gz PBIPJBALOWRAOE-UHFFFAOYSA-N 0 3 224.373 3.121 20 0 BGADHN C[C@H](NC1CCSCC1)c1ccccc1F ZINC000037494536 383980193 /nfs/dbraw/zinc/98/01/93/383980193.db2.gz UQJGJQMVPVIDBR-JTQLQIEISA-N 0 3 239.359 3.372 20 0 BGADHN C[C@@H](NC1CCSCC1)c1ccccc1F ZINC000037494537 383981267 /nfs/dbraw/zinc/98/12/67/383981267.db2.gz UQJGJQMVPVIDBR-SNVBAGLBSA-N 0 3 239.359 3.372 20 0 BGADHN CSCCCN[C@@H](C)c1ccccc1F ZINC000037495040 384507262 /nfs/dbraw/zinc/50/72/62/384507262.db2.gz XJHVOCUIHRGUON-JTQLQIEISA-N 0 3 227.348 3.229 20 0 BGADHN CSCCCN[C@H](C)c1ccccc1F ZINC000037495041 384507454 /nfs/dbraw/zinc/50/74/54/384507454.db2.gz XJHVOCUIHRGUON-SNVBAGLBSA-N 0 3 227.348 3.229 20 0 BGADHN COCc1ccccc1CNCc1ccccc1 ZINC000037500088 342938747 /nfs/dbraw/zinc/93/87/47/342938747.db2.gz QHVANFLOFDQLMM-UHFFFAOYSA-N 0 3 241.334 3.123 20 0 BGADHN COCc1ccccc1CNCc1ccsc1 ZINC000037500118 712655954 /nfs/dbraw/zinc/65/59/54/712655954.db2.gz RMNXQTFPHDVHJH-UHFFFAOYSA-N 0 3 247.363 3.184 20 0 BGADHN COCc1ccccc1CNCc1cccs1 ZINC000037500133 712656143 /nfs/dbraw/zinc/65/61/43/712656143.db2.gz TYJMQMDETRJCMH-UHFFFAOYSA-N 0 3 247.363 3.184 20 0 BGADHN Clc1ccc(CNCC2CCCC2)o1 ZINC000037501009 342938500 /nfs/dbraw/zinc/93/85/00/342938500.db2.gz VYOYFSFMLAODPI-UHFFFAOYSA-N 0 3 213.708 3.213 20 0 BGADHN C[C@@H](Cc1ccco1)NCc1ccc(Cl)o1 ZINC000037501075 712656153 /nfs/dbraw/zinc/65/61/53/712656153.db2.gz QUMGDDNRXUIZPM-VIFPVBQESA-N 0 3 239.702 3.247 20 0 BGADHN C[C@H](Cc1ccco1)NCc1ccc(Cl)o1 ZINC000037501076 712656004 /nfs/dbraw/zinc/65/60/04/712656004.db2.gz QUMGDDNRXUIZPM-SECBINFHSA-N 0 3 239.702 3.247 20 0 BGADHN Clc1ccccc1CNCCc1cccnc1 ZINC000037502592 323289812 /nfs/dbraw/zinc/28/98/12/323289812.db2.gz KIBZYXOOYXBDOP-UHFFFAOYSA-N 0 3 246.741 3.067 20 0 BGADHN CCC(C)(C)NCc1ccc(Cl)o1 ZINC000037503779 168299838 /nfs/dbraw/zinc/29/98/38/168299838.db2.gz PHVHCSVKZBVNJI-UHFFFAOYSA-N 0 3 201.697 3.211 20 0 BGADHN Clc1ccc(CNC(C2CC2)C2CC2)o1 ZINC000037503893 180579571 /nfs/dbraw/zinc/57/95/71/180579571.db2.gz UPPKLBHKVZBVFJ-UHFFFAOYSA-N 0 3 225.719 3.211 20 0 BGADHN CC(C)C[C@@H](C)NCc1ccc(Cl)o1 ZINC000037503953 384506142 /nfs/dbraw/zinc/50/61/42/384506142.db2.gz XNKVRZJDZRYBND-SECBINFHSA-N 0 3 215.724 3.457 20 0 BGADHN CC(C)C[C@H](C)NCc1ccc(Cl)o1 ZINC000037503954 322828587 /nfs/dbraw/zinc/82/85/87/322828587.db2.gz XNKVRZJDZRYBND-VIFPVBQESA-N 0 3 215.724 3.457 20 0 BGADHN Cc1ncc(CNCCC2=CCCCC2)s1 ZINC000037505214 343347659 /nfs/dbraw/zinc/34/76/59/343347659.db2.gz FXWJAPGGLVQMEC-UHFFFAOYSA-N 0 3 236.384 3.432 20 0 BGADHN Cc1ncc(CN[C@@H](C)c2ccccc2)s1 ZINC000037505317 180154017 /nfs/dbraw/zinc/15/40/17/180154017.db2.gz UPSOOJGYGINVGF-JTQLQIEISA-N 0 3 232.352 3.302 20 0 BGADHN Cc1ncc(CN[C@H](C)c2ccccc2)s1 ZINC000037505318 180159025 /nfs/dbraw/zinc/15/90/25/180159025.db2.gz UPSOOJGYGINVGF-SNVBAGLBSA-N 0 3 232.352 3.302 20 0 BGADHN Cc1ncc(CN[C@@H](C)c2cccs2)s1 ZINC000037505359 180155155 /nfs/dbraw/zinc/15/51/55/180155155.db2.gz TZKRKCDGYDLHQS-QMMMGPOBSA-N 0 3 238.381 3.364 20 0 BGADHN Cc1ncc(CN[C@H](C)c2cccs2)s1 ZINC000037505360 180158842 /nfs/dbraw/zinc/15/88/42/180158842.db2.gz TZKRKCDGYDLHQS-MRVPVSSYSA-N 0 3 238.381 3.364 20 0 BGADHN Cc1ncc(CNCc2ccccc2C)s1 ZINC000037505391 180155142 /nfs/dbraw/zinc/15/51/42/180155142.db2.gz WSAYYVQMWINRSL-UHFFFAOYSA-N 0 3 232.352 3.050 20 0 BGADHN Cc1ncc(CN[C@@H]2CCc3ccccc32)s1 ZINC000037505488 180157008 /nfs/dbraw/zinc/15/70/08/180157008.db2.gz NYIAPLCFMGWXAG-CQSZACIVSA-N 0 3 244.363 3.229 20 0 BGADHN c1cc2c(c(CNCCC3CCCC3)c1)OCO2 ZINC000037505511 183350266 /nfs/dbraw/zinc/35/02/66/183350266.db2.gz KQHUMRNBYLDVIJ-UHFFFAOYSA-N 0 3 247.338 3.085 20 0 BGADHN CCN[C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000037534507 170147605 /nfs/dbraw/zinc/14/76/05/170147605.db2.gz BILQCELAHPWUQM-HNNXBMFYSA-N 0 3 226.323 3.089 20 0 BGADHN CCN[C@H](c1ccc(C)cc1)c1ccccn1 ZINC000037534508 170163413 /nfs/dbraw/zinc/16/34/13/170163413.db2.gz BILQCELAHPWUQM-OAHLLOKOSA-N 0 3 226.323 3.089 20 0 BGADHN CCCN[C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000037534537 169280405 /nfs/dbraw/zinc/28/04/05/169280405.db2.gz BIDRLGXFTHHWEQ-HNNXBMFYSA-N 0 3 244.313 3.310 20 0 BGADHN CCCN[C@H](c1ccc(F)cc1)c1ccccn1 ZINC000037534538 169289674 /nfs/dbraw/zinc/28/96/74/169289674.db2.gz BIDRLGXFTHHWEQ-OAHLLOKOSA-N 0 3 244.313 3.310 20 0 BGADHN CCCN[C@@H](c1cccc(C)c1)c1ccccn1 ZINC000037534547 169281073 /nfs/dbraw/zinc/28/10/73/169281073.db2.gz PWNITVBXQLVMMU-INIZCTEOSA-N 0 3 240.350 3.479 20 0 BGADHN CCCN[C@H](c1cccc(C)c1)c1ccccn1 ZINC000037534548 169291107 /nfs/dbraw/zinc/29/11/07/169291107.db2.gz PWNITVBXQLVMMU-MRXNPFEDSA-N 0 3 240.350 3.479 20 0 BGADHN CCCN[C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000037534553 169279150 /nfs/dbraw/zinc/27/91/50/169279150.db2.gz BKDRUBRWMRWSBW-INIZCTEOSA-N 0 3 240.350 3.479 20 0 BGADHN CCCN[C@H](c1ccc(C)cc1)c1ccccn1 ZINC000037534554 169290198 /nfs/dbraw/zinc/29/01/98/169290198.db2.gz BKDRUBRWMRWSBW-MRXNPFEDSA-N 0 3 240.350 3.479 20 0 BGADHN Cc1ccc(CNC[C@@H]2Cc3ccccc32)o1 ZINC000037565284 349272019 /nfs/dbraw/zinc/27/20/19/349272019.db2.gz LJFPRYIXSFZGQG-ZDUSSCGKSA-N 0 3 227.307 3.018 20 0 BGADHN Cc1ccc(CNC[C@H]2Cc3ccccc32)o1 ZINC000037565285 349271898 /nfs/dbraw/zinc/27/18/98/349271898.db2.gz LJFPRYIXSFZGQG-CYBMUJFWSA-N 0 3 227.307 3.018 20 0 BGADHN C[C@H](NC[C@@H]1Cc2ccccc21)c1ccccn1 ZINC000037565370 383986559 /nfs/dbraw/zinc/98/65/59/383986559.db2.gz BHABVSKGLCMCMS-JSGCOSHPSA-N 0 3 238.334 3.072 20 0 BGADHN C[C@@H](NC[C@@H]1Cc2ccccc21)c1ccccn1 ZINC000037565371 383988232 /nfs/dbraw/zinc/98/82/32/383988232.db2.gz BHABVSKGLCMCMS-OCCSQVGLSA-N 0 3 238.334 3.072 20 0 BGADHN C[C@H](NC[C@H]1Cc2ccccc21)c1ccccn1 ZINC000037565372 383985597 /nfs/dbraw/zinc/98/55/97/383985597.db2.gz BHABVSKGLCMCMS-GXTWGEPZSA-N 0 3 238.334 3.072 20 0 BGADHN C[C@@H](NC[C@H]1Cc2ccccc21)c1ccccn1 ZINC000037565373 383986308 /nfs/dbraw/zinc/98/63/08/383986308.db2.gz BHABVSKGLCMCMS-TZMCWYRMSA-N 0 3 238.334 3.072 20 0 BGADHN C[C@H](NC[C@@H]1Cc2ccccc21)c1ccco1 ZINC000037565402 538963535 /nfs/dbraw/zinc/96/35/35/538963535.db2.gz GACGCVXWXCUNKB-AAEUAGOBSA-N 0 3 227.307 3.270 20 0 BGADHN C[C@@H](NC[C@@H]1Cc2ccccc21)c1ccco1 ZINC000037565403 538963139 /nfs/dbraw/zinc/96/31/39/538963139.db2.gz GACGCVXWXCUNKB-YPMHNXCESA-N 0 3 227.307 3.270 20 0 BGADHN C[C@H](NC[C@H]1Cc2ccccc21)c1ccco1 ZINC000037565404 538963304 /nfs/dbraw/zinc/96/33/04/538963304.db2.gz GACGCVXWXCUNKB-WCQYABFASA-N 0 3 227.307 3.270 20 0 BGADHN C[C@@H](NC[C@H]1Cc2ccccc21)c1ccco1 ZINC000037565405 538963152 /nfs/dbraw/zinc/96/31/52/538963152.db2.gz GACGCVXWXCUNKB-DGCLKSJQSA-N 0 3 227.307 3.270 20 0 BGADHN Fc1ccccc1CNC[C@@H]1Cc2ccccc21 ZINC000037565599 349269816 /nfs/dbraw/zinc/26/98/16/349269816.db2.gz OAIDTERZBBXZDC-AWEZNQCLSA-N 0 3 241.309 3.255 20 0 BGADHN CC(C)c1ccc(NC(=O)C2(N)CCCC2)cc1 ZINC000037616005 364312093 /nfs/dbraw/zinc/31/20/93/364312093.db2.gz CZFYUIQCAKWBJJ-UHFFFAOYSA-N 0 3 246.354 3.020 20 0 BGADHN CC(C)c1cccc(NC(=O)C2(N)CCCC2)c1 ZINC000037616111 364312259 /nfs/dbraw/zinc/31/22/59/364312259.db2.gz BZYRPGQFWGLNOF-UHFFFAOYSA-N 0 3 246.354 3.020 20 0 BGADHN CCCC[C@H](N)C(=O)Nc1ccc(C(C)C)cc1 ZINC000037619168 169008300 /nfs/dbraw/zinc/00/83/00/169008300.db2.gz ZMLHZLAUMDTIOM-AWEZNQCLSA-N 0 3 248.370 3.266 20 0 BGADHN CCCC[C@@H](N)C(=O)Nc1ccc(C(C)C)cc1 ZINC000037619169 358475844 /nfs/dbraw/zinc/47/58/44/358475844.db2.gz ZMLHZLAUMDTIOM-CQSZACIVSA-N 0 3 248.370 3.266 20 0 BGADHN CCCC[C@H](N)C(=O)Nc1cccc(C(C)C)c1 ZINC000037619374 169006939 /nfs/dbraw/zinc/00/69/39/169006939.db2.gz QJQVNSSAXSFRBP-AWEZNQCLSA-N 0 3 248.370 3.266 20 0 BGADHN CCCC[C@@H](N)C(=O)Nc1cccc(C(C)C)c1 ZINC000037619375 358475631 /nfs/dbraw/zinc/47/56/31/358475631.db2.gz QJQVNSSAXSFRBP-CQSZACIVSA-N 0 3 248.370 3.266 20 0 BGADHN CCC[C@](C)(N)C(=O)Nc1ccc(C(C)C)cc1 ZINC000037621224 343349470 /nfs/dbraw/zinc/34/94/70/343349470.db2.gz ICGBEBMGTOXXJO-HNNXBMFYSA-N 0 3 248.370 3.266 20 0 BGADHN CCC[C@@](C)(N)C(=O)Nc1ccc(C(C)C)cc1 ZINC000037621225 383992229 /nfs/dbraw/zinc/99/22/29/383992229.db2.gz ICGBEBMGTOXXJO-OAHLLOKOSA-N 0 3 248.370 3.266 20 0 BGADHN CCC[C@](C)(N)C(=O)Nc1cccc(C(C)C)c1 ZINC000037621430 343349596 /nfs/dbraw/zinc/34/95/96/343349596.db2.gz ICYNYUJWAOMVTJ-HNNXBMFYSA-N 0 3 248.370 3.266 20 0 BGADHN CCC[C@@](C)(N)C(=O)Nc1cccc(C(C)C)c1 ZINC000037621431 383991058 /nfs/dbraw/zinc/99/10/58/383991058.db2.gz ICYNYUJWAOMVTJ-OAHLLOKOSA-N 0 3 248.370 3.266 20 0 BGADHN COc1ncccc1CN[C@@H](C)C1CCCCC1 ZINC000037650224 187230434 /nfs/dbraw/zinc/23/04/34/187230434.db2.gz NSGYLWOFRPXPSE-LBPRGKRZSA-N 0 3 248.370 3.149 20 0 BGADHN COc1ncccc1CN[C@H](C)C1CCCCC1 ZINC000037650225 387565275 /nfs/dbraw/zinc/56/52/75/387565275.db2.gz NSGYLWOFRPXPSE-GFCCVEGCSA-N 0 3 248.370 3.149 20 0 BGADHN Clc1ccc(CNC[C@H]2Cc3ccccc32)o1 ZINC000037654388 350284059 /nfs/dbraw/zinc/28/40/59/350284059.db2.gz CCBIRMFDIZTEOW-LLVKDONJSA-N 0 3 247.725 3.363 20 0 BGADHN Clc1ccc(CNC[C@@H]2Cc3ccccc32)o1 ZINC000037654389 350284224 /nfs/dbraw/zinc/28/42/24/350284224.db2.gz CCBIRMFDIZTEOW-NSHDSACASA-N 0 3 247.725 3.363 20 0 BGADHN C[C@H](NCCc1cccnc1)c1ccccc1F ZINC000037717729 383999663 /nfs/dbraw/zinc/99/96/63/383999663.db2.gz UFUUTBOQVCFVBL-LBPRGKRZSA-N 0 3 244.313 3.114 20 0 BGADHN C[C@@H](NCCc1cccnc1)c1ccccc1F ZINC000037717730 384000589 /nfs/dbraw/zinc/00/05/89/384000589.db2.gz UFUUTBOQVCFVBL-GFCCVEGCSA-N 0 3 244.313 3.114 20 0 BGADHN Cc1cc([C@@H](C)NCCc2cccnc2)c(C)o1 ZINC000037717974 178226858 /nfs/dbraw/zinc/22/68/58/178226858.db2.gz SRRVHUHDEFBUPI-GFCCVEGCSA-N 0 3 244.338 3.185 20 0 BGADHN Cc1cc([C@H](C)NCCc2cccnc2)c(C)o1 ZINC000037717975 178248365 /nfs/dbraw/zinc/24/83/65/178248365.db2.gz SRRVHUHDEFBUPI-LBPRGKRZSA-N 0 3 244.338 3.185 20 0 BGADHN C[C@H](NCCC1CCCC1)c1ccccn1 ZINC000037739348 384006566 /nfs/dbraw/zinc/00/65/66/384006566.db2.gz XVCXFEIRXFNNOO-LBPRGKRZSA-N 0 3 218.344 3.313 20 0 BGADHN C[C@@H](NCCC1CCCC1)c1ccccn1 ZINC000037739349 384005357 /nfs/dbraw/zinc/00/53/57/384005357.db2.gz XVCXFEIRXFNNOO-GFCCVEGCSA-N 0 3 218.344 3.313 20 0 BGADHN c1c(CNCCC2CCCC2)nc2ccccn12 ZINC000037741340 384005305 /nfs/dbraw/zinc/00/53/05/384005305.db2.gz BQDQZCJLIVXOJM-UHFFFAOYSA-N 0 3 243.354 3.004 20 0 BGADHN CSCCCN[C@@H](C)c1c(F)cccc1F ZINC000037771922 712755984 /nfs/dbraw/zinc/75/59/84/712755984.db2.gz HMIMBXLQEINMII-VIFPVBQESA-N 0 3 245.338 3.369 20 0 BGADHN CSCCCN[C@H](C)c1c(F)cccc1F ZINC000037771923 712756026 /nfs/dbraw/zinc/75/60/26/712756026.db2.gz HMIMBXLQEINMII-SECBINFHSA-N 0 3 245.338 3.369 20 0 BGADHN Cc1ccccc1C[C@@H](C)NCc1ccco1 ZINC000037777037 179288529 /nfs/dbraw/zinc/28/85/29/179288529.db2.gz HXVANVYQPVMQMB-CYBMUJFWSA-N 0 3 229.323 3.309 20 0 BGADHN Cc1ccccc1C[C@H](C)NCc1ccco1 ZINC000037777038 179290720 /nfs/dbraw/zinc/29/07/20/179290720.db2.gz HXVANVYQPVMQMB-ZDUSSCGKSA-N 0 3 229.323 3.309 20 0 BGADHN c1coc(CNCCSc2ccccc2)c1 ZINC000037854586 187392833 /nfs/dbraw/zinc/39/28/33/187392833.db2.gz CQAWKXDYGXVORL-UHFFFAOYSA-N 0 3 233.336 3.162 20 0 BGADHN Cc1ccc(CNCCSc2ccccc2)o1 ZINC000037854617 712773014 /nfs/dbraw/zinc/77/30/14/712773014.db2.gz XYHCDRRKHJTJTO-UHFFFAOYSA-N 0 3 247.363 3.470 20 0 BGADHN Cc1ccc(CNCc2ccccc2)cc1F ZINC000037855529 358479404 /nfs/dbraw/zinc/47/94/04/358479404.db2.gz LIFARLPFSJNQEK-UHFFFAOYSA-N 0 3 229.298 3.424 20 0 BGADHN Cc1ccc(CNCc2cccs2)cc1F ZINC000037855530 398046112 /nfs/dbraw/zinc/04/61/12/398046112.db2.gz LMOMKCRFKLDYFR-UHFFFAOYSA-N 0 3 235.327 3.485 20 0 BGADHN c1coc(CNCCCCc2ccccc2)c1 ZINC000037855649 538964265 /nfs/dbraw/zinc/96/42/65/538964265.db2.gz DXXHXVGOVBFQMP-UHFFFAOYSA-N 0 3 229.323 3.392 20 0 BGADHN Fc1cc(F)cc(CNCc2ccccc2)c1 ZINC000037863397 363897916 /nfs/dbraw/zinc/89/79/16/363897916.db2.gz TYULHRRFDVLVFF-UHFFFAOYSA-N 0 3 233.261 3.255 20 0 BGADHN CC(C)(CNCc1ccccn1)c1ccccc1 ZINC000037864169 187230543 /nfs/dbraw/zinc/23/05/43/187230543.db2.gz FPVONRWYJVIXIW-UHFFFAOYSA-N 0 3 240.350 3.149 20 0 BGADHN C[C@H](NCC1(O)CCCCCC1)c1ccco1 ZINC000037890565 387566987 /nfs/dbraw/zinc/56/69/87/387566987.db2.gz CHFLOEWLDMCQMQ-LBPRGKRZSA-N 0 3 237.343 3.016 20 0 BGADHN C[C@@H](NCC1(O)CCCCCC1)c1ccco1 ZINC000037890566 387566972 /nfs/dbraw/zinc/56/69/72/387566972.db2.gz CHFLOEWLDMCQMQ-GFCCVEGCSA-N 0 3 237.343 3.016 20 0 BGADHN CC[C@H](NCc1c[nH]nc1C)c1ccc(C)cc1 ZINC000037891084 343360117 /nfs/dbraw/zinc/36/01/17/343360117.db2.gz DWQHJFFFWUCKIJ-HNNXBMFYSA-N 0 3 243.354 3.267 20 0 BGADHN CC[C@@H](NCc1c[nH]nc1C)c1ccc(C)cc1 ZINC000037891085 343359916 /nfs/dbraw/zinc/35/99/16/343359916.db2.gz DWQHJFFFWUCKIJ-OAHLLOKOSA-N 0 3 243.354 3.267 20 0 BGADHN CCC[C@H](NCc1c[nH]nc1C)c1ccccc1 ZINC000037893429 343359870 /nfs/dbraw/zinc/35/98/70/343359870.db2.gz JQNCHXODVLGJET-HNNXBMFYSA-N 0 3 243.354 3.349 20 0 BGADHN CCC[C@@H](NCc1c[nH]nc1C)c1ccccc1 ZINC000037893431 384035515 /nfs/dbraw/zinc/03/55/15/384035515.db2.gz JQNCHXODVLGJET-OAHLLOKOSA-N 0 3 243.354 3.349 20 0 BGADHN c1coc(CNCCC2CCCCC2)c1 ZINC000037895032 342994353 /nfs/dbraw/zinc/99/43/53/342994353.db2.gz ZKZLKIQXTHPQEZ-UHFFFAOYSA-N 0 3 207.317 3.340 20 0 BGADHN CC(C)(CNCc1ccco1)c1ccccc1 ZINC000037897496 188288772 /nfs/dbraw/zinc/28/87/72/188288772.db2.gz PWEBALCUXZFYQB-UHFFFAOYSA-N 0 3 229.323 3.347 20 0 BGADHN Cc1n[nH]cc1CN[C@H](C)c1cc(C)ccc1C ZINC000037898755 387567776 /nfs/dbraw/zinc/56/77/76/387567776.db2.gz NESBZTYERBKTMD-CYBMUJFWSA-N 0 3 243.354 3.186 20 0 BGADHN Cc1n[nH]cc1CN[C@@H](C)c1cc(C)ccc1C ZINC000037898756 358479935 /nfs/dbraw/zinc/47/99/35/358479935.db2.gz NESBZTYERBKTMD-ZDUSSCGKSA-N 0 3 243.354 3.186 20 0 BGADHN Cc1nc(CN[C@@H]2CCC[C@H](C)[C@@H]2C)oc1C ZINC000037909305 358479928 /nfs/dbraw/zinc/47/99/28/358479928.db2.gz ZYOXJNWTRMEHBU-OUJBWJOFSA-N 0 3 236.359 3.206 20 0 BGADHN Cc1nc(CN[C@@H]2CCC[C@@H](C)[C@@H]2C)oc1C ZINC000037909307 358480057 /nfs/dbraw/zinc/48/00/57/358480057.db2.gz ZYOXJNWTRMEHBU-GBIKHYSHSA-N 0 3 236.359 3.206 20 0 BGADHN CC[C@@H]1CCCN1Cc1ccc(Cl)nc1 ZINC000037913716 350290793 /nfs/dbraw/zinc/29/07/93/350290793.db2.gz XFTJEBRTQHJIGL-LLVKDONJSA-N 0 3 224.735 3.109 20 0 BGADHN CC[C@H]1CCCN1Cc1ccc(Cl)nc1 ZINC000037913717 350290751 /nfs/dbraw/zinc/29/07/51/350290751.db2.gz XFTJEBRTQHJIGL-NSHDSACASA-N 0 3 224.735 3.109 20 0 BGADHN CC[C@@H]1CCCN1CCC(=O)c1ccc(F)cc1 ZINC000037914583 358480260 /nfs/dbraw/zinc/48/02/60/358480260.db2.gz YYXUHCFMIBLVEI-CQSZACIVSA-N 0 3 249.329 3.273 20 0 BGADHN CC[C@H]1CCCN1CCC(=O)c1ccc(F)cc1 ZINC000037914584 358480136 /nfs/dbraw/zinc/48/01/36/358480136.db2.gz YYXUHCFMIBLVEI-AWEZNQCLSA-N 0 3 249.329 3.273 20 0 BGADHN CCc1ncc(CNCCc2ccccc2)s1 ZINC000037923758 172018456 /nfs/dbraw/zinc/01/84/56/172018456.db2.gz CWSHOPHWXGXMCD-UHFFFAOYSA-N 0 3 246.379 3.038 20 0 BGADHN CCc1ncc(CNCc2ccccc2C)s1 ZINC000037924674 172018369 /nfs/dbraw/zinc/01/83/69/172018369.db2.gz OPSFYTQNNWEUCC-UHFFFAOYSA-N 0 3 246.379 3.304 20 0 BGADHN CC(C)(C)NCc1ccc(Cl)cc1F ZINC000037927192 350291765 /nfs/dbraw/zinc/29/17/65/350291765.db2.gz KEWVRRNQKQBYEI-UHFFFAOYSA-N 0 3 215.699 3.367 20 0 BGADHN CC(C)CNCc1cc(Cl)ccc1F ZINC000037927226 167007868 /nfs/dbraw/zinc/00/78/68/167007868.db2.gz UICKZWOODVVZEZ-UHFFFAOYSA-N 0 3 215.699 3.225 20 0 BGADHN CC(C)CNCc1ccc(Cl)cc1F ZINC000037927253 167008520 /nfs/dbraw/zinc/00/85/20/167008520.db2.gz VMVTVORWHXNYCG-UHFFFAOYSA-N 0 3 215.699 3.225 20 0 BGADHN COc1cccc(OC)c1CNC1CCCCC1 ZINC000037927370 175281761 /nfs/dbraw/zinc/28/17/61/175281761.db2.gz KITUVBLGWSMGHO-UHFFFAOYSA-N 0 3 249.354 3.126 20 0 BGADHN COc1ccc(CCCNCc2ccco2)cc1 ZINC000037927559 175089560 /nfs/dbraw/zinc/08/95/60/175089560.db2.gz HIFYEXLCHCCDKC-UHFFFAOYSA-N 0 3 245.322 3.011 20 0 BGADHN Clc1ccccc1CCNCc1ccco1 ZINC000037927566 346711105 /nfs/dbraw/zinc/71/11/05/346711105.db2.gz QCRKXMLNXBTLQU-UHFFFAOYSA-N 0 3 235.714 3.265 20 0 BGADHN COc1cc(CNCc2cccs2)ccc1C ZINC000037927612 343360954 /nfs/dbraw/zinc/36/09/54/343360954.db2.gz NAUQLTPETICILV-UHFFFAOYSA-N 0 3 247.363 3.355 20 0 BGADHN CN(C)c1cccc(CNCc2cccs2)c1 ZINC000037927621 343361194 /nfs/dbraw/zinc/36/11/94/343361194.db2.gz YLOBIVNVEGQXSF-UHFFFAOYSA-N 0 3 246.379 3.104 20 0 BGADHN COc1cc(CNCc2ccccc2)ccc1C ZINC000037927717 174984321 /nfs/dbraw/zinc/98/43/21/174984321.db2.gz TYLWQFHZXAPIAD-UHFFFAOYSA-N 0 3 241.334 3.293 20 0 BGADHN Clc1ccc(Cl)c(CNCC2CC2)c1 ZINC000037927738 384661592 /nfs/dbraw/zinc/66/15/92/384661592.db2.gz SFGSXWRYMKSXOH-UHFFFAOYSA-N 0 3 230.138 3.493 20 0 BGADHN CCn1c2ccccc2nc1CNC1CCCC1 ZINC000037977281 172144593 /nfs/dbraw/zinc/14/45/93/172144593.db2.gz NSRMBQHZHHXUSI-UHFFFAOYSA-N 0 3 243.354 3.088 20 0 BGADHN CCn1c(CNCCC(C)C)nc2ccccc21 ZINC000037977596 172144100 /nfs/dbraw/zinc/14/41/00/172144100.db2.gz QLLMZBOETIGZGE-UHFFFAOYSA-N 0 3 245.370 3.192 20 0 BGADHN CCCCCNCc1nc2ccccc2n1CC ZINC000037979086 538964551 /nfs/dbraw/zinc/96/45/51/538964551.db2.gz NAPOXUDUERCWBO-UHFFFAOYSA-N 0 3 245.370 3.336 20 0 BGADHN CC(C)CCCN[C@@H](C)C(=O)Nc1ccccc1 ZINC000037984495 166815570 /nfs/dbraw/zinc/81/55/70/166815570.db2.gz AAJQTHNCEWBWHO-ZDUSSCGKSA-N 0 3 248.370 3.039 20 0 BGADHN CC(C)CCCN[C@H](C)C(=O)Nc1ccccc1 ZINC000037984496 386108274 /nfs/dbraw/zinc/10/82/74/386108274.db2.gz AAJQTHNCEWBWHO-CYBMUJFWSA-N 0 3 248.370 3.039 20 0 BGADHN CC(C)CCCNCc1ccccc1F ZINC000037984971 386108694 /nfs/dbraw/zinc/10/86/94/386108694.db2.gz URNJQYAACYNECY-UHFFFAOYSA-N 0 3 209.308 3.352 20 0 BGADHN CC(C)CCCNCc1ccc(F)cc1F ZINC000037984981 386107405 /nfs/dbraw/zinc/10/74/05/386107405.db2.gz DXXYNHWEQQTHKW-UHFFFAOYSA-N 0 3 227.298 3.491 20 0 BGADHN CC(C)CCCNCc1ccc(Cl)o1 ZINC000037985068 386107281 /nfs/dbraw/zinc/10/72/81/386107281.db2.gz IIINFTDGOFCXPZ-UHFFFAOYSA-N 0 3 215.724 3.459 20 0 BGADHN Cc1csc(CNCC2CCCCC2)n1 ZINC000037988468 343042170 /nfs/dbraw/zinc/04/21/70/343042170.db2.gz LQBMNFQHCBFKHU-UHFFFAOYSA-N 0 3 224.373 3.121 20 0 BGADHN Cc1csc(CNCCCc2ccccc2)n1 ZINC000037988471 712796330 /nfs/dbraw/zinc/79/63/30/712796330.db2.gz JDSYORWSJVPRSQ-UHFFFAOYSA-N 0 3 246.379 3.174 20 0 BGADHN Cc1csc(CNC[C@@H](C)c2ccccc2)n1 ZINC000037988474 343364336 /nfs/dbraw/zinc/36/43/36/343364336.db2.gz CTLJCHWKIITJEZ-LLVKDONJSA-N 0 3 246.379 3.345 20 0 BGADHN Cc1csc(CNC[C@H](C)c2ccccc2)n1 ZINC000037988475 343364410 /nfs/dbraw/zinc/36/44/10/343364410.db2.gz CTLJCHWKIITJEZ-NSHDSACASA-N 0 3 246.379 3.345 20 0 BGADHN Cc1csc(CN[C@@H]2CCC[C@H](C)C2)n1 ZINC000037988521 187254004 /nfs/dbraw/zinc/25/40/04/187254004.db2.gz JLGZEWDRQVSAAD-GXSJLCMTSA-N 0 3 224.373 3.120 20 0 BGADHN Cc1csc(CN[C@@H]2CCC[C@@H](C)C2)n1 ZINC000037988523 187254162 /nfs/dbraw/zinc/25/41/62/187254162.db2.gz JLGZEWDRQVSAAD-MWLCHTKSSA-N 0 3 224.373 3.120 20 0 BGADHN Cc1csc(CN[C@@H]2CCCC[C@@H]2C)n1 ZINC000037988525 187254797 /nfs/dbraw/zinc/25/47/97/187254797.db2.gz JHCQKKYEUXEHFV-GXSJLCMTSA-N 0 3 224.373 3.120 20 0 BGADHN c1c2ccccc2oc1CNCC[C@H]1CCCO1 ZINC000037988825 398335580 /nfs/dbraw/zinc/33/55/80/398335580.db2.gz GRLKJNVHMSSCEE-CYBMUJFWSA-N 0 3 245.322 3.092 20 0 BGADHN Cc1n[nH]cc1CNCc1ccc(C(C)C)cc1 ZINC000037989196 387570490 /nfs/dbraw/zinc/57/04/90/387570490.db2.gz YOVOYVKHUNZVQB-UHFFFAOYSA-N 0 3 243.354 3.131 20 0 BGADHN CC(C)CCCNCc1cccc(F)c1F ZINC000037989633 324585820 /nfs/dbraw/zinc/58/58/20/324585820.db2.gz NEYKERYBHGKMKQ-UHFFFAOYSA-N 0 3 227.298 3.491 20 0 BGADHN CCCn1c(CN[C@@H](C)CC)nc2ccccc21 ZINC000037995400 343364247 /nfs/dbraw/zinc/36/42/47/343364247.db2.gz OJFAHMFKDGTQMB-LBPRGKRZSA-N 0 3 245.370 3.334 20 0 BGADHN CCCn1c(CN[C@H](C)CC)nc2ccccc21 ZINC000037995401 343364512 /nfs/dbraw/zinc/36/45/12/343364512.db2.gz OJFAHMFKDGTQMB-GFCCVEGCSA-N 0 3 245.370 3.334 20 0 BGADHN Cc1n[nH]cc1CN[C@H](C)c1ccc(C)cc1C ZINC000037996445 384053561 /nfs/dbraw/zinc/05/35/61/384053561.db2.gz YPMRPZGYQRFDLO-CYBMUJFWSA-N 0 3 243.354 3.186 20 0 BGADHN Cc1n[nH]cc1CN[C@@H](C)c1ccc(C)cc1C ZINC000037996446 384052365 /nfs/dbraw/zinc/05/23/65/384052365.db2.gz YPMRPZGYQRFDLO-ZDUSSCGKSA-N 0 3 243.354 3.186 20 0 BGADHN CC(C)CCCNCc1cc(F)ccc1F ZINC000037996842 388650677 /nfs/dbraw/zinc/65/06/77/388650677.db2.gz JVILDVOOXWUXSQ-UHFFFAOYSA-N 0 3 227.298 3.491 20 0 BGADHN CCC[C@H](NCc1cn[nH]c1)c1ccccc1 ZINC000038005496 361511918 /nfs/dbraw/zinc/51/19/18/361511918.db2.gz FGQHXHBMEHZZBO-AWEZNQCLSA-N 0 3 229.327 3.041 20 0 BGADHN CCC[C@@H](NCc1cn[nH]c1)c1ccccc1 ZINC000038005497 387736371 /nfs/dbraw/zinc/73/63/71/387736371.db2.gz FGQHXHBMEHZZBO-CQSZACIVSA-N 0 3 229.327 3.041 20 0 BGADHN CC(C)C[C@H](NCc1cn[nH]c1)c1ccccc1 ZINC000038005698 361635542 /nfs/dbraw/zinc/63/55/42/361635542.db2.gz WPHYJGQLEYJJAT-HNNXBMFYSA-N 0 3 243.354 3.287 20 0 BGADHN CC(C)C[C@@H](NCc1cn[nH]c1)c1ccccc1 ZINC000038005699 188290114 /nfs/dbraw/zinc/29/01/14/188290114.db2.gz WPHYJGQLEYJJAT-OAHLLOKOSA-N 0 3 243.354 3.287 20 0 BGADHN CC[C@H](NCc1cn[nH]c1)c1cccc(Cl)c1 ZINC000038005816 361659259 /nfs/dbraw/zinc/65/92/59/361659259.db2.gz RBMSUGJOAAHXIW-ZDUSSCGKSA-N 0 3 249.745 3.304 20 0 BGADHN CC[C@@H](NCc1cn[nH]c1)c1cccc(Cl)c1 ZINC000038005817 361658995 /nfs/dbraw/zinc/65/89/95/361658995.db2.gz RBMSUGJOAAHXIW-CYBMUJFWSA-N 0 3 249.745 3.304 20 0 BGADHN CC[C@H](NCc1cn[nH]c1)c1ccc(Cl)cc1 ZINC000038005839 361660726 /nfs/dbraw/zinc/66/07/26/361660726.db2.gz ZJINHLGHMDEMEL-ZDUSSCGKSA-N 0 3 249.745 3.304 20 0 BGADHN CC[C@@H](NCc1cn[nH]c1)c1ccc(Cl)cc1 ZINC000038005840 361659047 /nfs/dbraw/zinc/65/90/47/361659047.db2.gz ZJINHLGHMDEMEL-CYBMUJFWSA-N 0 3 249.745 3.304 20 0 BGADHN COCc1cccc(CNCc2cccs2)c1 ZINC000038010420 343364947 /nfs/dbraw/zinc/36/49/47/343364947.db2.gz ZUPMOTQBRSCAOB-UHFFFAOYSA-N 0 3 247.363 3.184 20 0 BGADHN COCc1cccc(CNCc2ccsc2)c1 ZINC000038010427 343365064 /nfs/dbraw/zinc/36/50/64/343365064.db2.gz SMHHYERNEVYDNM-UHFFFAOYSA-N 0 3 247.363 3.184 20 0 BGADHN COCc1cccc(CNCc2ccccc2)c1 ZINC000038010606 343045622 /nfs/dbraw/zinc/04/56/22/343045622.db2.gz SSSYYALDTAXNNG-UHFFFAOYSA-N 0 3 241.334 3.123 20 0 BGADHN CC[C@H](NCc1c[nH]nc1C)c1ccc(F)cc1 ZINC000038011180 343365611 /nfs/dbraw/zinc/36/56/11/343365611.db2.gz SWFZVKDYGCEPSX-AWEZNQCLSA-N 0 3 247.317 3.098 20 0 BGADHN CC[C@@H](NCc1c[nH]nc1C)c1ccc(F)cc1 ZINC000038011181 343365574 /nfs/dbraw/zinc/36/55/74/343365574.db2.gz SWFZVKDYGCEPSX-CQSZACIVSA-N 0 3 247.317 3.098 20 0 BGADHN Cc1n[nH]cc1CN[C@H](C)c1ccc(C)c(C)c1 ZINC000038011196 387569479 /nfs/dbraw/zinc/56/94/79/387569479.db2.gz MGDISJWXLQLKEF-GFCCVEGCSA-N 0 3 243.354 3.186 20 0 BGADHN Cc1n[nH]cc1CN[C@@H](C)c1ccc(C)c(C)c1 ZINC000038011197 387570562 /nfs/dbraw/zinc/57/05/62/387570562.db2.gz MGDISJWXLQLKEF-LBPRGKRZSA-N 0 3 243.354 3.186 20 0 BGADHN CC[C@H](NCc1c[nH]nc1C)c1cccs1 ZINC000038011241 350296501 /nfs/dbraw/zinc/29/65/01/350296501.db2.gz XHCXDNZDKODLLR-NSHDSACASA-N 0 3 235.356 3.021 20 0 BGADHN CC[C@@H](NCc1c[nH]nc1C)c1cccs1 ZINC000038011242 350296197 /nfs/dbraw/zinc/29/61/97/350296197.db2.gz XHCXDNZDKODLLR-LLVKDONJSA-N 0 3 235.356 3.021 20 0 BGADHN COCCNCc1cc(-c2ccccc2)cs1 ZINC000038030687 174335129 /nfs/dbraw/zinc/33/51/29/174335129.db2.gz SMGKNLQGQVHSNX-UHFFFAOYSA-N 0 3 247.363 3.151 20 0 BGADHN CCn1c(CNC(C)(C)CC)nc2ccccc21 ZINC000038046554 172144943 /nfs/dbraw/zinc/14/49/43/172144943.db2.gz IEFKTBAIEGCEOW-UHFFFAOYSA-N 0 3 245.370 3.334 20 0 BGADHN CCCn1c(CNCC(C)C)nc2ccccc21 ZINC000038046557 343367376 /nfs/dbraw/zinc/36/73/76/343367376.db2.gz OZJHFSQDQDTLOT-UHFFFAOYSA-N 0 3 245.370 3.192 20 0 BGADHN CCC(CC)NCc1nc2ccccc2n1CC ZINC000038046558 168389964 /nfs/dbraw/zinc/38/99/64/168389964.db2.gz MBSFHPTZUPTDDL-UHFFFAOYSA-N 0 3 245.370 3.334 20 0 BGADHN CCC[C@@H](C)NCc1nc2ccccc2n1CC ZINC000038046570 169370864 /nfs/dbraw/zinc/37/08/64/169370864.db2.gz GRCVRZDVTOITQE-GFCCVEGCSA-N 0 3 245.370 3.334 20 0 BGADHN CCC[C@H](C)NCc1nc2ccccc2n1CC ZINC000038046571 386121368 /nfs/dbraw/zinc/12/13/68/386121368.db2.gz GRCVRZDVTOITQE-LBPRGKRZSA-N 0 3 245.370 3.334 20 0 BGADHN CC(C)CCCNCc1cnc2ccccc2n1 ZINC000038054736 384061077 /nfs/dbraw/zinc/06/10/77/384061077.db2.gz FGPFHUIJHHJDML-UHFFFAOYSA-N 0 3 243.354 3.156 20 0 BGADHN CC[C@H](C)NCc1cc(Cl)ccc1F ZINC000038065441 171342974 /nfs/dbraw/zinc/34/29/74/171342974.db2.gz IJQUMKREHLQYIQ-QMMMGPOBSA-N 0 3 215.699 3.367 20 0 BGADHN CC[C@@H](C)NCc1ccc(Cl)cc1F ZINC000038065482 343057321 /nfs/dbraw/zinc/05/73/21/343057321.db2.gz RUTHIDDNDWNJEL-MRVPVSSYSA-N 0 3 215.699 3.367 20 0 BGADHN CC[C@H](C)NCc1ccc(Cl)cc1F ZINC000038065483 171342862 /nfs/dbraw/zinc/34/28/62/171342862.db2.gz RUTHIDDNDWNJEL-QMMMGPOBSA-N 0 3 215.699 3.367 20 0 BGADHN CC(C)NCc1cc(-c2cccnc2)ccc1F ZINC000038069916 167116554 /nfs/dbraw/zinc/11/65/54/167116554.db2.gz SQCCVTSCNSVMJI-UHFFFAOYSA-N 0 3 244.313 3.386 20 0 BGADHN Fc1ccc(-c2cccnc2)cc1CNC1CC1 ZINC000038069917 712805068 /nfs/dbraw/zinc/80/50/68/712805068.db2.gz LLVQXRHGSZCHIZ-UHFFFAOYSA-N 0 3 242.297 3.140 20 0 BGADHN CCNCc1cc(-c2ccccc2)ccc1OC ZINC000038070654 170124750 /nfs/dbraw/zinc/12/47/50/170124750.db2.gz LEHAMGNJFPLCHZ-UHFFFAOYSA-N 0 3 241.334 3.472 20 0 BGADHN Cc1cc(C)cc(COc2ccccc2CN)c1 ZINC000038076636 177902652 /nfs/dbraw/zinc/90/26/52/177902652.db2.gz ZFEXDCPXIZLSJP-UHFFFAOYSA-N 0 3 241.334 3.341 20 0 BGADHN C[C@@H](CN[C@@H](C)c1cc2ccccc2o1)N(C)C ZINC000038088409 387573432 /nfs/dbraw/zinc/57/34/32/387573432.db2.gz KQECHPCGPUROPU-RYUDHWBXSA-N 0 3 246.354 3.034 20 0 BGADHN C[C@H](CN[C@@H](C)c1cc2ccccc2o1)N(C)C ZINC000038088410 387572276 /nfs/dbraw/zinc/57/22/76/387572276.db2.gz KQECHPCGPUROPU-NEPJUHHUSA-N 0 3 246.354 3.034 20 0 BGADHN C[C@@H](NC[C@H](C)N(C)C)c1cc2ccccc2o1 ZINC000038088411 358483545 /nfs/dbraw/zinc/48/35/45/358483545.db2.gz KQECHPCGPUROPU-NWDGAFQWSA-N 0 3 246.354 3.034 20 0 BGADHN C[C@H](CN[C@H](C)c1cc2ccccc2o1)N(C)C ZINC000038088412 188083290 /nfs/dbraw/zinc/08/32/90/188083290.db2.gz KQECHPCGPUROPU-VXGBXAGGSA-N 0 3 246.354 3.034 20 0 BGADHN Cc1csc(CN[C@@H](C)CCC(C)C)n1 ZINC000038090577 712807264 /nfs/dbraw/zinc/80/72/64/712807264.db2.gz JDPXQIKYUZBYOU-JTQLQIEISA-N 0 3 226.389 3.366 20 0 BGADHN Cc1csc(CN[C@H](C)CCC(C)C)n1 ZINC000038090578 712807515 /nfs/dbraw/zinc/80/75/15/712807515.db2.gz JDPXQIKYUZBYOU-SNVBAGLBSA-N 0 3 226.389 3.366 20 0 BGADHN Cc1csc(CNC2CCC(C)CC2)n1 ZINC000038090805 343059687 /nfs/dbraw/zinc/05/96/87/343059687.db2.gz CCPXUCXAMHWQPI-UHFFFAOYSA-N 0 3 224.373 3.120 20 0 BGADHN CCCCCCNCc1nc(C)cs1 ZINC000038090904 343059660 /nfs/dbraw/zinc/05/96/60/343059660.db2.gz CDOFLZKVIHHMST-UHFFFAOYSA-N 0 3 212.362 3.121 20 0 BGADHN CCCC[C@@H](C)NCc1nc(C)cs1 ZINC000038091046 343059771 /nfs/dbraw/zinc/05/97/71/343059771.db2.gz WUUVAYCCYDJEAE-SECBINFHSA-N 0 3 212.362 3.120 20 0 BGADHN CCCC[C@H](C)NCc1nc(C)cs1 ZINC000038091047 343059668 /nfs/dbraw/zinc/05/96/68/343059668.db2.gz WUUVAYCCYDJEAE-VIFPVBQESA-N 0 3 212.362 3.120 20 0 BGADHN CC(C)CCCN[C@@H](C)c1ccccn1 ZINC000038093326 384791033 /nfs/dbraw/zinc/79/10/33/384791033.db2.gz MQNANDUJOSNBPO-LBPRGKRZSA-N 0 3 206.333 3.168 20 0 BGADHN CC(C)CCCN[C@H](C)c1ccccn1 ZINC000038093327 384791809 /nfs/dbraw/zinc/79/18/09/384791809.db2.gz MQNANDUJOSNBPO-GFCCVEGCSA-N 0 3 206.333 3.168 20 0 BGADHN CC(C)CCCNCc1c(F)cccc1F ZINC000038093339 388653253 /nfs/dbraw/zinc/65/32/53/388653253.db2.gz HXBMLNKYHYMZOK-UHFFFAOYSA-N 0 3 227.298 3.491 20 0 BGADHN C[C@H](NCC[C@@H]1CCCO1)c1ccccc1F ZINC000038095462 538964835 /nfs/dbraw/zinc/96/48/35/538964835.db2.gz JIGBALILLJANSO-RYUDHWBXSA-N 0 3 237.318 3.045 20 0 BGADHN C[C@@H](NCC[C@@H]1CCCO1)c1ccccc1F ZINC000038095463 538964565 /nfs/dbraw/zinc/96/45/65/538964565.db2.gz JIGBALILLJANSO-NEPJUHHUSA-N 0 3 237.318 3.045 20 0 BGADHN C[C@H](NCC[C@H]1CCCO1)c1ccccc1F ZINC000038095464 538964739 /nfs/dbraw/zinc/96/47/39/538964739.db2.gz JIGBALILLJANSO-NWDGAFQWSA-N 0 3 237.318 3.045 20 0 BGADHN C[C@@H](NCC[C@H]1CCCO1)c1ccccc1F ZINC000038095465 538964728 /nfs/dbraw/zinc/96/47/28/538964728.db2.gz JIGBALILLJANSO-VXGBXAGGSA-N 0 3 237.318 3.045 20 0 BGADHN Cc1cc([C@@H](C)NCC[C@@H]2CCCO2)c(C)o1 ZINC000038096004 178224172 /nfs/dbraw/zinc/22/41/72/178224172.db2.gz BFCPIOIFXQKRFA-YPMHNXCESA-N 0 3 237.343 3.116 20 0 BGADHN Cc1cc([C@H](C)NCC[C@@H]2CCCO2)c(C)o1 ZINC000038096005 178249039 /nfs/dbraw/zinc/24/90/39/178249039.db2.gz BFCPIOIFXQKRFA-AAEUAGOBSA-N 0 3 237.343 3.116 20 0 BGADHN Cc1cc([C@@H](C)NCC[C@H]2CCCO2)c(C)o1 ZINC000038096006 178225196 /nfs/dbraw/zinc/22/51/96/178225196.db2.gz BFCPIOIFXQKRFA-DGCLKSJQSA-N 0 3 237.343 3.116 20 0 BGADHN Cc1cc([C@H](C)NCC[C@H]2CCCO2)c(C)o1 ZINC000038096007 178248334 /nfs/dbraw/zinc/24/83/34/178248334.db2.gz BFCPIOIFXQKRFA-WCQYABFASA-N 0 3 237.343 3.116 20 0 BGADHN CC(C)N[C@@H](CO)c1cccc(Cl)c1Cl ZINC000038115669 487641684 /nfs/dbraw/zinc/64/16/84/487641684.db2.gz DBZIIMLJKNBJAV-JTQLQIEISA-N 0 3 248.153 3.025 20 0 BGADHN CC(C)N[C@H](CO)c1cccc(Cl)c1Cl ZINC000038115670 487683099 /nfs/dbraw/zinc/68/30/99/487683099.db2.gz DBZIIMLJKNBJAV-SNVBAGLBSA-N 0 3 248.153 3.025 20 0 BGADHN CCCN[C@@H](CO)c1cccc(Cl)c1Cl ZINC000038123310 487641502 /nfs/dbraw/zinc/64/15/02/487641502.db2.gz AJKJMYKPVYGSNN-JTQLQIEISA-N 0 3 248.153 3.026 20 0 BGADHN CCCN[C@H](CO)c1cccc(Cl)c1Cl ZINC000038123311 487641488 /nfs/dbraw/zinc/64/14/88/487641488.db2.gz AJKJMYKPVYGSNN-SNVBAGLBSA-N 0 3 248.153 3.026 20 0 BGADHN C[C@H](N[C@@H](CO)c1ccccc1)c1cccs1 ZINC000038591675 384088437 /nfs/dbraw/zinc/08/84/37/384088437.db2.gz XJNUYHHZXJCEOK-AAEUAGOBSA-N 0 3 247.363 3.132 20 0 BGADHN CCN[C@@H]1C[C@H](C)Sc2sccc21 ZINC000038812664 170153967 /nfs/dbraw/zinc/15/39/67/170153967.db2.gz VXTCDJNESQCASR-IONNQARKSA-N 0 3 213.371 3.283 20 0 BGADHN C[C@@H](N[C@@H](CO)c1ccccc1)c1cccs1 ZINC000038919226 175911443 /nfs/dbraw/zinc/91/14/43/175911443.db2.gz XJNUYHHZXJCEOK-YPMHNXCESA-N 0 3 247.363 3.132 20 0 BGADHN CC(C)=CCN(C)Cc1ccccc1C ZINC000038951395 538968483 /nfs/dbraw/zinc/96/84/83/538968483.db2.gz ZZGQYRWGVFMUAB-UHFFFAOYSA-N 0 3 203.329 3.393 20 0 BGADHN Cc1ccc(C(=O)CCN2CCC[C@H](C)C2)cc1 ZINC000039020758 188083236 /nfs/dbraw/zinc/08/32/36/188083236.db2.gz TUDITQKVDCJVQI-AWEZNQCLSA-N 0 3 245.366 3.300 20 0 BGADHN Cc1ccc(C(=O)CCN2CCC[C@@H](C)C2)cc1 ZINC000039020759 187392249 /nfs/dbraw/zinc/39/22/49/187392249.db2.gz TUDITQKVDCJVQI-CQSZACIVSA-N 0 3 245.366 3.300 20 0 BGADHN CCN1CCc2cc(-c3ccccc3)oc2C1 ZINC000039102704 170024635 /nfs/dbraw/zinc/02/46/35/170024635.db2.gz GJEBHRBUCVCQRF-UHFFFAOYSA-N 0 3 227.307 3.325 20 0 BGADHN Cc1ccc(C)c(CN2CC=CCC2)c1 ZINC000039105045 538968748 /nfs/dbraw/zinc/96/87/48/538968748.db2.gz JPSKCCANNVTMAK-UHFFFAOYSA-N 0 3 201.313 3.065 20 0 BGADHN Cc1ccc(C(=O)CCN2CCC(C)CC2)cc1 ZINC000039187869 387576098 /nfs/dbraw/zinc/57/60/98/387576098.db2.gz CYXKCKBIVKIUAE-UHFFFAOYSA-N 0 3 245.366 3.300 20 0 BGADHN c1csc(SCCN2CCCCC2)c1 ZINC000039225558 343122784 /nfs/dbraw/zinc/12/27/84/343122784.db2.gz POPUEFZVMWRPNE-UHFFFAOYSA-N 0 3 227.398 3.326 20 0 BGADHN C[C@H](NCc1cccn1C)c1cccc(F)c1 ZINC000040176490 386270366 /nfs/dbraw/zinc/27/03/66/386270366.db2.gz ZDQAAUYFRODYRS-NSHDSACASA-N 0 3 232.302 3.015 20 0 BGADHN C[C@@H](NCc1cccn1C)c1cccc(F)c1 ZINC000040176491 352480924 /nfs/dbraw/zinc/48/09/24/352480924.db2.gz ZDQAAUYFRODYRS-LLVKDONJSA-N 0 3 232.302 3.015 20 0 BGADHN C[C@H](NCc1cccn1C)c1ccc(F)cc1 ZINC000040176492 386266005 /nfs/dbraw/zinc/26/60/05/386266005.db2.gz SFDJVGKPXOIDTK-NSHDSACASA-N 0 3 232.302 3.015 20 0 BGADHN C[C@@H](NCc1cccn1C)c1ccc(F)cc1 ZINC000040176493 352480775 /nfs/dbraw/zinc/48/07/75/352480775.db2.gz SFDJVGKPXOIDTK-LLVKDONJSA-N 0 3 232.302 3.015 20 0 BGADHN CCNCc1ccc(-c2cccc(F)c2F)o1 ZINC000040231099 170126617 /nfs/dbraw/zinc/12/66/17/170126617.db2.gz QFVJJBZBJXBGHT-UHFFFAOYSA-N 0 3 237.249 3.334 20 0 BGADHN Fc1cccc(-c2ccc(CNC3CC3)o2)c1F ZINC000040231102 358489492 /nfs/dbraw/zinc/48/94/92/358489492.db2.gz JIIYQZCAYSMCIK-UHFFFAOYSA-N 0 3 249.260 3.477 20 0 BGADHN Fc1cc(-c2ccncc2)ccc1CNC1CC1 ZINC000040231679 352594319 /nfs/dbraw/zinc/59/43/19/352594319.db2.gz HIIXVEJHEPPIAQ-UHFFFAOYSA-N 0 3 242.297 3.140 20 0 BGADHN CC(C)NCc1cc(-c2ccncc2)ccc1F ZINC000040231809 167117755 /nfs/dbraw/zinc/11/77/55/167117755.db2.gz KVCMYKZTGKWRRC-UHFFFAOYSA-N 0 3 244.313 3.386 20 0 BGADHN CCCNCc1ccc(-c2ccncc2)cc1F ZINC000040231829 169267172 /nfs/dbraw/zinc/26/71/72/169267172.db2.gz NOJDPEDSPCXIRU-UHFFFAOYSA-N 0 3 244.313 3.387 20 0 BGADHN CC(C)NCc1ccc(-c2ccncc2)cc1F ZINC000040231830 167119145 /nfs/dbraw/zinc/11/91/45/167119145.db2.gz UJJIMFYFZDWKEL-UHFFFAOYSA-N 0 3 244.313 3.386 20 0 BGADHN CCNCc1csc(-c2ccc(C)cc2)n1 ZINC000040414551 170130256 /nfs/dbraw/zinc/13/02/56/170130256.db2.gz BXEPHKNAEUTHKK-UHFFFAOYSA-N 0 3 232.352 3.228 20 0 BGADHN CCCNCc1csc(-c2ccccc2)n1 ZINC000040418830 169269691 /nfs/dbraw/zinc/26/96/91/169269691.db2.gz WGMLLYSCUNZYGB-UHFFFAOYSA-N 0 3 232.352 3.310 20 0 BGADHN CC(C)NCc1csc(-c2cccs2)n1 ZINC000040419221 167122006 /nfs/dbraw/zinc/12/20/06/167122006.db2.gz GWANGXCAVAGBAE-UHFFFAOYSA-N 0 3 238.381 3.370 20 0 BGADHN CC(C)NCc1csc(-c2ccsc2)n1 ZINC000040419254 167121928 /nfs/dbraw/zinc/12/19/28/167121928.db2.gz VTTZXKNQXKXCSH-UHFFFAOYSA-N 0 3 238.381 3.370 20 0 BGADHN CCCNCc1csc(-c2cccs2)n1 ZINC000040419364 169269985 /nfs/dbraw/zinc/26/99/85/169269985.db2.gz QNHFJJWANGJYKY-UHFFFAOYSA-N 0 3 238.381 3.371 20 0 BGADHN CCCNCc1csc(-c2ccsc2)n1 ZINC000040419372 169269285 /nfs/dbraw/zinc/26/92/85/169269285.db2.gz MHSCBFFLBDLOTR-UHFFFAOYSA-N 0 3 238.381 3.371 20 0 BGADHN CCCC[C@@H](CC)CNCc1cscn1 ZINC000040419994 356936365 /nfs/dbraw/zinc/93/63/65/356936365.db2.gz AHEVIFDJRNQOGA-LLVKDONJSA-N 0 3 226.389 3.449 20 0 BGADHN CCCC[C@H](CC)CNCc1cscn1 ZINC000040419995 356936289 /nfs/dbraw/zinc/93/62/89/356936289.db2.gz AHEVIFDJRNQOGA-NSHDSACASA-N 0 3 226.389 3.449 20 0 BGADHN c1nc(CNC2CCCCCCC2)cs1 ZINC000040420217 356936821 /nfs/dbraw/zinc/93/68/21/356936821.db2.gz ATBJKNIXMXWQLW-UHFFFAOYSA-N 0 3 224.373 3.346 20 0 BGADHN C[C@@H](CCc1ccccc1)NCc1cscn1 ZINC000040420265 343402436 /nfs/dbraw/zinc/40/24/36/343402436.db2.gz RPCLVIMKHLRIAV-LBPRGKRZSA-N 0 3 246.379 3.254 20 0 BGADHN C[C@H](CCc1ccccc1)NCc1cscn1 ZINC000040420267 343402359 /nfs/dbraw/zinc/40/23/59/343402359.db2.gz RPCLVIMKHLRIAV-GFCCVEGCSA-N 0 3 246.379 3.254 20 0 BGADHN CC(C)CCC[C@@H](C)NCc1cscn1 ZINC000040420275 387528830 /nfs/dbraw/zinc/52/88/30/387528830.db2.gz ZHUNQEPEFSDORY-LLVKDONJSA-N 0 3 226.389 3.448 20 0 BGADHN CC(C)CCC[C@H](C)NCc1cscn1 ZINC000040420277 387529860 /nfs/dbraw/zinc/52/98/60/387529860.db2.gz ZHUNQEPEFSDORY-NSHDSACASA-N 0 3 226.389 3.448 20 0 BGADHN CCCCC[C@@H](C)NCc1cscn1 ZINC000040420397 356937187 /nfs/dbraw/zinc/93/71/87/356937187.db2.gz ZZUIFJMCQLDGJO-SNVBAGLBSA-N 0 3 212.362 3.202 20 0 BGADHN CCCCC[C@H](C)NCc1cscn1 ZINC000040420399 356937138 /nfs/dbraw/zinc/93/71/38/356937138.db2.gz ZZUIFJMCQLDGJO-JTQLQIEISA-N 0 3 212.362 3.202 20 0 BGADHN CC(C)CC[C@@H](C)NCc1cscn1 ZINC000040420418 387529422 /nfs/dbraw/zinc/52/94/22/387529422.db2.gz QXRCZOFHAWANES-SNVBAGLBSA-N 0 3 212.362 3.057 20 0 BGADHN CC(C)CC[C@H](C)NCc1cscn1 ZINC000040420420 356937213 /nfs/dbraw/zinc/93/72/13/356937213.db2.gz QXRCZOFHAWANES-JTQLQIEISA-N 0 3 212.362 3.057 20 0 BGADHN C[C@@H]1CCC[C@H](NCc2cscn2)[C@@H]1C ZINC000040420483 176144456 /nfs/dbraw/zinc/14/44/56/176144456.db2.gz GFQSVUGNFYDCKM-FOGDFJRCSA-N 0 3 224.373 3.057 20 0 BGADHN C[C@@H]1CCC[C@@H](NCc2cscn2)[C@@H]1C ZINC000040420487 176124628 /nfs/dbraw/zinc/12/46/28/176124628.db2.gz GFQSVUGNFYDCKM-CKYFFXLPSA-N 0 3 224.373 3.057 20 0 BGADHN C[C@@H](CNCc1cscn1)c1ccccc1 ZINC000040421017 343402470 /nfs/dbraw/zinc/40/24/70/343402470.db2.gz FNKQDKJDLYGWOJ-NSHDSACASA-N 0 3 232.352 3.036 20 0 BGADHN C[C@H](CNCc1cscn1)c1ccccc1 ZINC000040421019 343402465 /nfs/dbraw/zinc/40/24/65/343402465.db2.gz FNKQDKJDLYGWOJ-LLVKDONJSA-N 0 3 232.352 3.036 20 0 BGADHN c1nc(CNC2C3CC4CC(C3)CC2C4)cs1 ZINC000040421123 358490867 /nfs/dbraw/zinc/49/08/67/358490867.db2.gz DPNVUYDJXXLIGT-UHFFFAOYSA-N 0 3 248.395 3.057 20 0 BGADHN c1nc(CNC23CC4CC(CC(C4)C2)C3)cs1 ZINC000040431072 358491300 /nfs/dbraw/zinc/49/13/00/358491300.db2.gz UWDLVEOQMDFNNH-UHFFFAOYSA-N 0 3 248.395 3.202 20 0 BGADHN Cc1ccsc1CNCc1cnc(C)s1 ZINC000040437505 180154801 /nfs/dbraw/zinc/15/48/01/180154801.db2.gz ZAKCMEDOCZYAJY-UHFFFAOYSA-N 0 3 238.381 3.111 20 0 BGADHN Cc1ccc(CNCc2cnc(C)s2)s1 ZINC000040437573 373264027 /nfs/dbraw/zinc/26/40/27/373264027.db2.gz HYJNPLXHPMLZIE-UHFFFAOYSA-N 0 3 238.381 3.111 20 0 BGADHN CCCNCc1cnn(-c2ccc(Cl)cc2)c1 ZINC000040443656 169270045 /nfs/dbraw/zinc/27/00/45/169270045.db2.gz CLEKSIJPXQPQKO-UHFFFAOYSA-N 0 3 249.745 3.025 20 0 BGADHN CC(C)NCc1cnn(-c2ccc(Cl)cc2)c1 ZINC000040443668 167121800 /nfs/dbraw/zinc/12/18/00/167121800.db2.gz FXQHDPRTHJTFGT-UHFFFAOYSA-N 0 3 249.745 3.024 20 0 BGADHN Cc1ncc(CNCc2ccc(C)cc2C)s1 ZINC000040443753 633785257 /nfs/dbraw/zinc/78/52/57/633785257.db2.gz FCCJBGZTZMWADQ-UHFFFAOYSA-N 0 3 246.379 3.358 20 0 BGADHN C[C@@H](CNCc1nccs1)c1ccccc1 ZINC000040444011 343403739 /nfs/dbraw/zinc/40/37/39/343403739.db2.gz DNGUZXCWIWQFFD-NSHDSACASA-N 0 3 232.352 3.036 20 0 BGADHN C[C@H](CNCc1nccs1)c1ccccc1 ZINC000040444012 343403521 /nfs/dbraw/zinc/40/35/21/343403521.db2.gz DNGUZXCWIWQFFD-LLVKDONJSA-N 0 3 232.352 3.036 20 0 BGADHN C[C@H]1C[C@H](NCc2nccs2)CC(C)(C)C1 ZINC000040444033 177371550 /nfs/dbraw/zinc/37/15/50/177371550.db2.gz XPPNGCBNSFTLIO-QWRGUYRKSA-N 0 3 238.400 3.448 20 0 BGADHN C[C@H]1C[C@@H](NCc2nccs2)CC(C)(C)C1 ZINC000040444035 177334048 /nfs/dbraw/zinc/33/40/48/177334048.db2.gz XPPNGCBNSFTLIO-WDEREUQCSA-N 0 3 238.400 3.448 20 0 BGADHN c1csc(CNC2CCCCCCC2)n1 ZINC000040444038 183519091 /nfs/dbraw/zinc/51/90/91/183519091.db2.gz USBNGBPGQIQUFC-UHFFFAOYSA-N 0 3 224.373 3.346 20 0 BGADHN c1csc(CNC2C3CC4CC(C3)CC2C4)n1 ZINC000040444039 358491369 /nfs/dbraw/zinc/49/13/69/358491369.db2.gz BZVJVUPIICASPL-UHFFFAOYSA-N 0 3 248.395 3.057 20 0 BGADHN CCC1CCC(NCc2nccs2)CC1 ZINC000040444041 373266848 /nfs/dbraw/zinc/26/68/48/373266848.db2.gz MPTNHGYVKIYMAR-UHFFFAOYSA-N 0 3 224.373 3.202 20 0 BGADHN CC(C)c1ccc(NC(=O)[C@@H](N)C(C)(C)C)cc1 ZINC000040458179 352598601 /nfs/dbraw/zinc/59/86/01/352598601.db2.gz WOMPTHVGQJBZPK-CYBMUJFWSA-N 0 3 248.370 3.122 20 0 BGADHN CC(C)c1cccc(NC(=O)[C@@H](N)C(C)(C)C)c1 ZINC000040459194 343404443 /nfs/dbraw/zinc/40/44/43/343404443.db2.gz GWVQBBURQPZSJU-CYBMUJFWSA-N 0 3 248.370 3.122 20 0 BGADHN CC(C)(C)CNCc1ccc(F)cc1F ZINC000040492282 373330295 /nfs/dbraw/zinc/33/02/95/373330295.db2.gz JJZAUFYYZXAPQR-UHFFFAOYSA-N 0 3 213.271 3.101 20 0 BGADHN CC(C)(C)CNCc1c(F)cccc1F ZINC000040492311 350370082 /nfs/dbraw/zinc/37/00/82/350370082.db2.gz GMBOEACILMQOCF-UHFFFAOYSA-N 0 3 213.271 3.101 20 0 BGADHN CC(C)(C)CNCc1ccc(Br)o1 ZINC000040492373 373321238 /nfs/dbraw/zinc/32/12/38/373321238.db2.gz YHJAPFCSRMCRDB-UHFFFAOYSA-N 0 3 246.148 3.178 20 0 BGADHN C[C@H](NCC(C)(C)C)c1nc2ccccc2n1C ZINC000040492608 176833990 /nfs/dbraw/zinc/83/39/90/176833990.db2.gz BELYIGVPKUEFHC-NSHDSACASA-N 0 3 245.370 3.270 20 0 BGADHN C[C@@H](NCC(C)(C)C)c1nc2ccccc2n1C ZINC000040492609 384154465 /nfs/dbraw/zinc/15/44/65/384154465.db2.gz BELYIGVPKUEFHC-LLVKDONJSA-N 0 3 245.370 3.270 20 0 BGADHN Cc1nc([C@@H](C)NCC(C)(C)C)c(C)s1 ZINC000040492761 180035438 /nfs/dbraw/zinc/03/54/38/180035438.db2.gz SDPQCNFBHGLNAN-MRVPVSSYSA-N 0 3 226.389 3.457 20 0 BGADHN Cc1nc([C@H](C)NCC(C)(C)C)c(C)s1 ZINC000040492762 180049552 /nfs/dbraw/zinc/04/95/52/180049552.db2.gz SDPQCNFBHGLNAN-QMMMGPOBSA-N 0 3 226.389 3.457 20 0 BGADHN CC(C)(C)CNCc1ccc(Cl)o1 ZINC000040492827 343985821 /nfs/dbraw/zinc/98/58/21/343985821.db2.gz MOYUVRROROLYEM-UHFFFAOYSA-N 0 3 201.697 3.069 20 0 BGADHN Cc1nc([C@@H](C)NCC(C)(C)C)cs1 ZINC000040492890 180034525 /nfs/dbraw/zinc/03/45/25/180034525.db2.gz DSJIAPSYFMIHBG-MRVPVSSYSA-N 0 3 212.362 3.148 20 0 BGADHN Cc1nc([C@H](C)NCC(C)(C)C)cs1 ZINC000040492891 180049071 /nfs/dbraw/zinc/04/90/71/180049071.db2.gz DSJIAPSYFMIHBG-QMMMGPOBSA-N 0 3 212.362 3.148 20 0 BGADHN CCn1c(CNCC(C)(C)C)nc2ccccc21 ZINC000040493084 384577611 /nfs/dbraw/zinc/57/76/11/384577611.db2.gz SFKVUTQWNGGGHS-UHFFFAOYSA-N 0 3 245.370 3.192 20 0 BGADHN COc1ccc(Cl)cc1CNCC(C)(C)C ZINC000040493086 384579225 /nfs/dbraw/zinc/57/92/25/384579225.db2.gz MEHJFEBWINOMGW-UHFFFAOYSA-N 0 3 241.762 3.484 20 0 BGADHN CC(C)(C)CNCc1cccc(F)c1F ZINC000040493450 388417911 /nfs/dbraw/zinc/41/79/11/388417911.db2.gz SWWRTJJTSATWCH-UHFFFAOYSA-N 0 3 213.271 3.101 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1NCc1cscn1 ZINC000040504552 384277485 /nfs/dbraw/zinc/27/74/85/384277485.db2.gz KIRQSSDNDUYRRK-PWSUYJOCSA-N 0 3 224.373 3.202 20 0 BGADHN CC[C@H]1CCCC[C@@H]1NCc1cscn1 ZINC000040504555 171610628 /nfs/dbraw/zinc/61/06/28/171610628.db2.gz KIRQSSDNDUYRRK-JQWIXIFHSA-N 0 3 224.373 3.202 20 0 BGADHN CC[C@@H]1CCCC[C@H]1NCc1cscn1 ZINC000040504557 384278190 /nfs/dbraw/zinc/27/81/90/384278190.db2.gz KIRQSSDNDUYRRK-ZYHUDNBSSA-N 0 3 224.373 3.202 20 0 BGADHN CC[C@H]1CCCC[C@H]1NCc1cscn1 ZINC000040504559 384276835 /nfs/dbraw/zinc/27/68/35/384276835.db2.gz KIRQSSDNDUYRRK-CMPLNLGQSA-N 0 3 224.373 3.202 20 0 BGADHN CC(C)(C)CC(C)(C)NCc1cscn1 ZINC000040504796 344001847 /nfs/dbraw/zinc/00/18/47/344001847.db2.gz MZIAVLPZJHJTIT-UHFFFAOYSA-N 0 3 226.389 3.448 20 0 BGADHN c1nc(CNCCC2CCCCC2)cs1 ZINC000040505241 344001475 /nfs/dbraw/zinc/00/14/75/344001475.db2.gz AQFFKLVEESAUPV-UHFFFAOYSA-N 0 3 224.373 3.203 20 0 BGADHN Cc1ccccc1C[C@@H](C)NCc1cscn1 ZINC000040505363 179289180 /nfs/dbraw/zinc/28/91/80/179289180.db2.gz FNYQJFSFRXAEGX-GFCCVEGCSA-N 0 3 246.379 3.172 20 0 BGADHN Cc1ccccc1C[C@H](C)NCc1cscn1 ZINC000040505367 179290616 /nfs/dbraw/zinc/29/06/16/179290616.db2.gz FNYQJFSFRXAEGX-LBPRGKRZSA-N 0 3 246.379 3.172 20 0 BGADHN CCC1CCC(CNCc2cscn2)CC1 ZINC000040505496 633817921 /nfs/dbraw/zinc/81/79/21/633817921.db2.gz CMFQDHKNLGGITQ-UHFFFAOYSA-N 0 3 238.400 3.449 20 0 BGADHN CC(C)(CNCc1cscn1)c1ccccc1 ZINC000040505502 188083171 /nfs/dbraw/zinc/08/31/71/188083171.db2.gz LXHGLKGLRVQXAJ-UHFFFAOYSA-N 0 3 246.379 3.211 20 0 BGADHN CCCCOCCNCc1ccc(C)cc1C ZINC000040505875 343405632 /nfs/dbraw/zinc/40/56/32/343405632.db2.gz NMQVWCCSAZTGSV-UHFFFAOYSA-N 0 3 235.371 3.210 20 0 BGADHN CCCCOCCNCc1ccccc1Cl ZINC000040505900 352599314 /nfs/dbraw/zinc/59/93/14/352599314.db2.gz ZASDMPWLXJNZCJ-UHFFFAOYSA-N 0 3 241.762 3.246 20 0 BGADHN CCCCOCCNCc1ccc(CC)cc1 ZINC000040505975 322832965 /nfs/dbraw/zinc/83/29/65/322832965.db2.gz XWNZUYOANHRMAR-UHFFFAOYSA-N 0 3 235.371 3.155 20 0 BGADHN CCCCOCCN[C@@H](C)c1ccccc1 ZINC000040506135 343405682 /nfs/dbraw/zinc/40/56/82/343405682.db2.gz BWJDRRMCAKMWQH-ZDUSSCGKSA-N 0 3 221.344 3.154 20 0 BGADHN CCCCOCCN[C@H](C)c1ccccc1 ZINC000040506138 343405879 /nfs/dbraw/zinc/40/58/79/343405879.db2.gz BWJDRRMCAKMWQH-CYBMUJFWSA-N 0 3 221.344 3.154 20 0 BGADHN CCCCOCCN[C@@H](C)c1ccc(C)cc1 ZINC000040506146 384579578 /nfs/dbraw/zinc/57/95/78/384579578.db2.gz PLUGYGPQIFDOPY-AWEZNQCLSA-N 0 3 235.371 3.462 20 0 BGADHN CCCCOCCN[C@H](C)c1ccc(C)cc1 ZINC000040506148 384577043 /nfs/dbraw/zinc/57/70/43/384577043.db2.gz PLUGYGPQIFDOPY-CQSZACIVSA-N 0 3 235.371 3.462 20 0 BGADHN CCCCOCCN[C@@H](C)c1cccs1 ZINC000040506230 344002287 /nfs/dbraw/zinc/00/22/87/344002287.db2.gz IIWIUNTVNGKIHE-NSHDSACASA-N 0 3 227.373 3.215 20 0 BGADHN CCCCOCCN[C@H](C)c1cccs1 ZINC000040506233 168903530 /nfs/dbraw/zinc/90/35/30/168903530.db2.gz IIWIUNTVNGKIHE-LLVKDONJSA-N 0 3 227.373 3.215 20 0 BGADHN CCCCOCCN[C@@H](C)c1ccccc1F ZINC000040506242 384579373 /nfs/dbraw/zinc/57/93/73/384579373.db2.gz LQNOCADCDMZPNL-LBPRGKRZSA-N 0 3 239.334 3.293 20 0 BGADHN CCCCOCCN[C@H](C)c1ccccc1F ZINC000040506245 384578257 /nfs/dbraw/zinc/57/82/57/384578257.db2.gz LQNOCADCDMZPNL-GFCCVEGCSA-N 0 3 239.334 3.293 20 0 BGADHN CCCCOCCN[C@@H](C)c1ccc(F)cc1 ZINC000040506253 384578508 /nfs/dbraw/zinc/57/85/08/384578508.db2.gz XHHVADSZDMLAOF-LBPRGKRZSA-N 0 3 239.334 3.293 20 0 BGADHN CCCCOCCN[C@H](C)c1ccc(F)cc1 ZINC000040506255 384577539 /nfs/dbraw/zinc/57/75/39/384577539.db2.gz XHHVADSZDMLAOF-GFCCVEGCSA-N 0 3 239.334 3.293 20 0 BGADHN CCCCOCCN[C@@H]1CCc2ccccc21 ZINC000040506291 358494084 /nfs/dbraw/zinc/49/40/84/358494084.db2.gz AVMCOORAFLCMQO-OAHLLOKOSA-N 0 3 233.355 3.080 20 0 BGADHN CCCCOCCN[C@H]1CCc2ccccc21 ZINC000040506294 358493807 /nfs/dbraw/zinc/49/38/07/358493807.db2.gz AVMCOORAFLCMQO-HNNXBMFYSA-N 0 3 233.355 3.080 20 0 BGADHN CCCCOCCN[C@@H](C)c1ccc(C)o1 ZINC000040506296 343406287 /nfs/dbraw/zinc/40/62/87/343406287.db2.gz DLUGXZKNKBVVBY-LBPRGKRZSA-N 0 3 225.332 3.055 20 0 BGADHN CCCCOCCN[C@H](C)c1ccc(C)o1 ZINC000040506298 343406324 /nfs/dbraw/zinc/40/63/24/343406324.db2.gz DLUGXZKNKBVVBY-GFCCVEGCSA-N 0 3 225.332 3.055 20 0 BGADHN CCCCOCCN[C@@H](C)c1ccccc1C ZINC000040506411 384577111 /nfs/dbraw/zinc/57/71/11/384577111.db2.gz YIMOWRXPKJGZLZ-AWEZNQCLSA-N 0 3 235.371 3.462 20 0 BGADHN CCCCOCCN[C@H](C)c1ccccc1C ZINC000040506413 384578927 /nfs/dbraw/zinc/57/89/27/384578927.db2.gz YIMOWRXPKJGZLZ-CQSZACIVSA-N 0 3 235.371 3.462 20 0 BGADHN CCCCOCCN[C@@H](C)c1cccc(F)c1 ZINC000040506532 384577146 /nfs/dbraw/zinc/57/71/46/384577146.db2.gz QFSWAHXFOOKFSF-LBPRGKRZSA-N 0 3 239.334 3.293 20 0 BGADHN CCCCOCCN[C@H](C)c1cccc(F)c1 ZINC000040506534 322833352 /nfs/dbraw/zinc/83/33/52/322833352.db2.gz QFSWAHXFOOKFSF-GFCCVEGCSA-N 0 3 239.334 3.293 20 0 BGADHN CCCCOCCNCc1cc2ccccc2o1 ZINC000040506617 641532507 /nfs/dbraw/zinc/53/25/07/641532507.db2.gz NPCMLOQXNGCZKE-UHFFFAOYSA-N 0 3 247.338 3.339 20 0 BGADHN CCCCOCCNCc1ccc(Cl)s1 ZINC000040506619 635415756 /nfs/dbraw/zinc/41/57/56/635415756.db2.gz GUDHZMCTUBCKRL-UHFFFAOYSA-N 0 3 247.791 3.308 20 0 BGADHN CCCCOCCN[C@@H](C)c1cc(C)oc1C ZINC000040506691 358493847 /nfs/dbraw/zinc/49/38/47/358493847.db2.gz FPBDAZFANVROCL-LBPRGKRZSA-N 0 3 239.359 3.364 20 0 BGADHN CCCCOCCN[C@H](C)c1cc(C)oc1C ZINC000040506692 358493890 /nfs/dbraw/zinc/49/38/90/358493890.db2.gz FPBDAZFANVROCL-GFCCVEGCSA-N 0 3 239.359 3.364 20 0 BGADHN CCCCOCCN[C@@H](C)c1cccc(C)c1 ZINC000040506890 384577134 /nfs/dbraw/zinc/57/71/34/384577134.db2.gz OIBRQNCQIIUOQD-AWEZNQCLSA-N 0 3 235.371 3.462 20 0 BGADHN CCCCOCCN[C@H](C)c1cccc(C)c1 ZINC000040506891 322833330 /nfs/dbraw/zinc/83/33/30/322833330.db2.gz OIBRQNCQIIUOQD-CQSZACIVSA-N 0 3 235.371 3.462 20 0 BGADHN CCCCOCCNCc1ccc(C)c(C)c1 ZINC000040506915 322833225 /nfs/dbraw/zinc/83/32/25/322833225.db2.gz NFYSVQHXMLTNFJ-UHFFFAOYSA-N 0 3 235.371 3.210 20 0 BGADHN CCCCOCCNCc1ccc(CC)s1 ZINC000040507423 350371858 /nfs/dbraw/zinc/37/18/58/350371858.db2.gz UEVUZVZKIWECSM-UHFFFAOYSA-N 0 3 241.400 3.217 20 0 BGADHN Cc1ccc([C@@H](C)NCCc2ccc(O)cc2)o1 ZINC000040734641 384163650 /nfs/dbraw/zinc/16/36/50/384163650.db2.gz NNSPAEKBIXUNPD-GFCCVEGCSA-N 0 3 245.322 3.187 20 0 BGADHN Cc1ccc([C@H](C)NCCc2ccc(O)cc2)o1 ZINC000040734644 384163905 /nfs/dbraw/zinc/16/39/05/384163905.db2.gz NNSPAEKBIXUNPD-LBPRGKRZSA-N 0 3 245.322 3.187 20 0 BGADHN CCCCCc1ccc(NC(=O)[C@H](N)CC)cc1 ZINC000040810156 358503064 /nfs/dbraw/zinc/50/30/64/358503064.db2.gz NZKLTEHHFOLDQG-CQSZACIVSA-N 0 3 248.370 3.095 20 0 BGADHN CCCCCc1ccc(NC(=O)[C@@H](N)CC)cc1 ZINC000040810157 358503196 /nfs/dbraw/zinc/50/31/96/358503196.db2.gz NZKLTEHHFOLDQG-AWEZNQCLSA-N 0 3 248.370 3.095 20 0 BGADHN CCCCNc1ccnc2ccccc21 ZINC000040864551 384615948 /nfs/dbraw/zinc/61/59/48/384615948.db2.gz GGVKCCJAFMRGTA-UHFFFAOYSA-N 0 3 200.285 3.447 20 0 BGADHN CCCCCc1ccc(NC(=O)C(C)(C)N)cc1 ZINC000040925095 343411092 /nfs/dbraw/zinc/41/10/92/343411092.db2.gz MHYVQYJMQQXZDE-UHFFFAOYSA-N 0 3 248.370 3.095 20 0 BGADHN CC(C)NCc1cnn(-c2cccc(Cl)c2)c1 ZINC000040932343 167121901 /nfs/dbraw/zinc/12/19/01/167121901.db2.gz OYFFXMROMQZLSQ-UHFFFAOYSA-N 0 3 249.745 3.024 20 0 BGADHN CCNCc1cnc(-c2ccc(C)cc2)s1 ZINC000040996607 170129096 /nfs/dbraw/zinc/12/90/96/170129096.db2.gz PXDQSOOAEXAUKC-UHFFFAOYSA-N 0 3 232.352 3.228 20 0 BGADHN CCNCc1cnc(C2CCCCC2)s1 ZINC000040996611 170130642 /nfs/dbraw/zinc/13/06/42/170130642.db2.gz BAGSZXHAGBVRRN-UHFFFAOYSA-N 0 3 224.373 3.300 20 0 BGADHN CCNCc1cnc(-c2ccccc2F)s1 ZINC000040996618 170129209 /nfs/dbraw/zinc/12/92/09/170129209.db2.gz IHYHLPKMKXUMBW-UHFFFAOYSA-N 0 3 236.315 3.059 20 0 BGADHN CCCNCc1cnc(C2CCCC2)s1 ZINC000040996651 169269305 /nfs/dbraw/zinc/26/93/05/169269305.db2.gz OJSLUCFLVLZQTC-UHFFFAOYSA-N 0 3 224.373 3.300 20 0 BGADHN CC(C)NCc1cnc(C2CCCC2)s1 ZINC000040996706 167121788 /nfs/dbraw/zinc/12/17/88/167121788.db2.gz WSSNNSXXRXTBLN-UHFFFAOYSA-N 0 3 224.373 3.299 20 0 BGADHN CC(C)NCc1cnc(-c2cccs2)s1 ZINC000040996730 167120950 /nfs/dbraw/zinc/12/09/50/167120950.db2.gz PWBXHHQVLWGEKJ-UHFFFAOYSA-N 0 3 238.381 3.370 20 0 BGADHN c1nc(C2CCCC2)sc1CNC1CC1 ZINC000040996761 641538798 /nfs/dbraw/zinc/53/87/98/641538798.db2.gz KZJGGNAWSNLHKM-UHFFFAOYSA-N 0 3 222.357 3.053 20 0 BGADHN Cc1ccc(-c2ncc(CNC3CC3)s2)cc1 ZINC000040996771 178338628 /nfs/dbraw/zinc/33/86/28/178338628.db2.gz MOLMHGXAVMBGOT-UHFFFAOYSA-N 0 3 244.363 3.371 20 0 BGADHN c1nc(C2CCCCC2)sc1CNC1CC1 ZINC000040996775 323111343 /nfs/dbraw/zinc/11/13/43/323111343.db2.gz LNLKPFDRXJVZAR-UHFFFAOYSA-N 0 3 236.384 3.443 20 0 BGADHN Fc1ccccc1-c1ncc(CNC2CC2)s1 ZINC000040996782 181009590 /nfs/dbraw/zinc/00/95/90/181009590.db2.gz MTYSUVXWAQVTQY-UHFFFAOYSA-N 0 3 248.326 3.201 20 0 BGADHN c1cc(-c2ncc(CNC3CC3)s2)cs1 ZINC000040996804 183331635 /nfs/dbraw/zinc/33/16/35/183331635.db2.gz MFBSVPVPUQBXGJ-UHFFFAOYSA-N 0 3 236.365 3.124 20 0 BGADHN CCCNCc1cnc(-c2ccc(C)o2)s1 ZINC000040997068 169269423 /nfs/dbraw/zinc/26/94/23/169269423.db2.gz AZYVMMSFKVPASN-UHFFFAOYSA-N 0 3 236.340 3.211 20 0 BGADHN Cc1ccc(-c2ncc(CNC(C)C)s2)o1 ZINC000040997132 178338712 /nfs/dbraw/zinc/33/87/12/178338712.db2.gz RBNRQQFFECFIKR-UHFFFAOYSA-N 0 3 236.340 3.210 20 0 BGADHN Cc1ncc(CNCc2ccc(C)c(C)c2)s1 ZINC000040997786 180151598 /nfs/dbraw/zinc/15/15/98/180151598.db2.gz OUHOXEXUIARJKS-UHFFFAOYSA-N 0 3 246.379 3.358 20 0 BGADHN Cc1nc(CNC2[C@@H](C)CCC[C@@H]2C)cs1 ZINC000041010284 179967781 /nfs/dbraw/zinc/96/77/81/179967781.db2.gz NWDDDSZZEGHXKM-UWVGGRQHSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1nc(CNC2[C@H](C)CCC[C@H]2C)cs1 ZINC000041010285 358505405 /nfs/dbraw/zinc/50/54/05/358505405.db2.gz NWDDDSZZEGHXKM-NXEZZACHSA-N 0 3 238.400 3.366 20 0 BGADHN CCCC[C@@H](C)NCc1csc(C)n1 ZINC000041010577 538973984 /nfs/dbraw/zinc/97/39/84/538973984.db2.gz FDDQLOSSXVHHMB-SECBINFHSA-N 0 3 212.362 3.120 20 0 BGADHN CCCC[C@H](C)NCc1csc(C)n1 ZINC000041010578 538973956 /nfs/dbraw/zinc/97/39/56/538973956.db2.gz FDDQLOSSXVHHMB-VIFPVBQESA-N 0 3 212.362 3.120 20 0 BGADHN C[C@H]1CCC[C@H](C)C1NCc1nccs1 ZINC000041011566 177130065 /nfs/dbraw/zinc/13/00/65/177130065.db2.gz SNIADQOYYPKBPT-UWVGGRQHSA-N 0 3 224.373 3.057 20 0 BGADHN C[C@@H]1CCC[C@@H](C)C1NCc1nccs1 ZINC000041011568 176113817 /nfs/dbraw/zinc/11/38/17/176113817.db2.gz SNIADQOYYPKBPT-NXEZZACHSA-N 0 3 224.373 3.057 20 0 BGADHN CCCC(CCC)NCc1nccs1 ZINC000041012088 344411630 /nfs/dbraw/zinc/41/16/30/344411630.db2.gz FKLDBASJNHLLPI-UHFFFAOYSA-N 0 3 212.362 3.202 20 0 BGADHN CC(C)CC[C@@H](C)NCc1nccs1 ZINC000041012092 384634392 /nfs/dbraw/zinc/63/43/92/384634392.db2.gz GBJKSWNRUVWJSY-SNVBAGLBSA-N 0 3 212.362 3.057 20 0 BGADHN CC(C)CC[C@H](C)NCc1nccs1 ZINC000041012094 344411623 /nfs/dbraw/zinc/41/16/23/344411623.db2.gz GBJKSWNRUVWJSY-JTQLQIEISA-N 0 3 212.362 3.057 20 0 BGADHN CC[C@@H](C)C[C@@H](CC)NCc1nccs1 ZINC000041012116 344411693 /nfs/dbraw/zinc/41/16/93/344411693.db2.gz LEEQDSWMYCVNGO-GHMZBOCLSA-N 0 3 226.389 3.448 20 0 BGADHN CC[C@H](C[C@@H](C)CC)NCc1nccs1 ZINC000041012118 171296597 /nfs/dbraw/zinc/29/65/97/171296597.db2.gz LEEQDSWMYCVNGO-WDEREUQCSA-N 0 3 226.389 3.448 20 0 BGADHN CC[C@@H](C)C[C@H](CC)NCc1nccs1 ZINC000041012120 384633250 /nfs/dbraw/zinc/63/32/50/384633250.db2.gz LEEQDSWMYCVNGO-MNOVXSKESA-N 0 3 226.389 3.448 20 0 BGADHN CC[C@H](C)C[C@H](CC)NCc1nccs1 ZINC000041012122 171299411 /nfs/dbraw/zinc/29/94/11/171299411.db2.gz LEEQDSWMYCVNGO-QWRGUYRKSA-N 0 3 226.389 3.448 20 0 BGADHN CCCCC[C@@H](C)NCc1nccs1 ZINC000041012311 344411613 /nfs/dbraw/zinc/41/16/13/344411613.db2.gz HCOQMQJKGYQLHU-SNVBAGLBSA-N 0 3 212.362 3.202 20 0 BGADHN CCCCC[C@H](C)NCc1nccs1 ZINC000041012313 344411715 /nfs/dbraw/zinc/41/17/15/344411715.db2.gz HCOQMQJKGYQLHU-JTQLQIEISA-N 0 3 212.362 3.202 20 0 BGADHN C[C@H](NCc1nccs1)C1CCCCC1 ZINC000041012699 384633790 /nfs/dbraw/zinc/63/37/90/384633790.db2.gz JTWCNBJBQCLURI-JTQLQIEISA-N 0 3 224.373 3.202 20 0 BGADHN C[C@@H](NCc1nccs1)C1CCCCC1 ZINC000041012701 344411970 /nfs/dbraw/zinc/41/19/70/344411970.db2.gz JTWCNBJBQCLURI-SNVBAGLBSA-N 0 3 224.373 3.202 20 0 BGADHN CC(C)(C)C1CCC(NCc2cc[nH]n2)CC1 ZINC000041013898 374047424 /nfs/dbraw/zinc/04/74/24/374047424.db2.gz IILIAIYTXDGHRX-UHFFFAOYSA-N 0 3 235.375 3.104 20 0 BGADHN c1nc(-c2ccccc2)sc1CNC1CC1 ZINC000041041930 183383967 /nfs/dbraw/zinc/38/39/67/183383967.db2.gz MGSQSVATIHNEGQ-UHFFFAOYSA-N 0 3 230.336 3.062 20 0 BGADHN CN(C)Cc1cccc(NCC(C)(C)C)c1 ZINC000041051276 343414323 /nfs/dbraw/zinc/41/43/23/343414323.db2.gz QYJWDUVVBDTLKO-UHFFFAOYSA-N 0 3 220.360 3.206 20 0 BGADHN CCc1sc([C@H](C)N)nc1-c1ccccc1 ZINC000041059165 172129689 /nfs/dbraw/zinc/12/96/89/172129689.db2.gz VBXRVQSGJDGKMT-VIFPVBQESA-N 0 3 232.352 3.392 20 0 BGADHN CC(C)(C)c1csc(C2(N)CCCC2)n1 ZINC000041059606 191063813 /nfs/dbraw/zinc/06/38/13/191063813.db2.gz KDESRPMBYVVOSK-UHFFFAOYSA-N 0 3 224.373 3.169 20 0 BGADHN CC[C@@H](C)c1csc(C2(N)CCCC2)n1 ZINC000041059613 384656664 /nfs/dbraw/zinc/65/66/64/384656664.db2.gz QUAXOEAGRLXQOG-SECBINFHSA-N 0 3 224.373 3.385 20 0 BGADHN CC[C@H](C)c1csc(C2(N)CCCC2)n1 ZINC000041059614 384655767 /nfs/dbraw/zinc/65/57/67/384655767.db2.gz QUAXOEAGRLXQOG-VIFPVBQESA-N 0 3 224.373 3.385 20 0 BGADHN CCN[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000041061229 170143219 /nfs/dbraw/zinc/14/32/19/170143219.db2.gz KQFANHIHCAXPBS-QMMMGPOBSA-N 0 3 212.362 3.111 20 0 BGADHN CCN[C@H](C)c1nc(C(C)(C)C)cs1 ZINC000041061230 170160312 /nfs/dbraw/zinc/16/03/12/170160312.db2.gz KQFANHIHCAXPBS-MRVPVSSYSA-N 0 3 212.362 3.111 20 0 BGADHN CCCNC1(c2nc(C)cs2)CCCC1 ZINC000041061406 169254839 /nfs/dbraw/zinc/25/48/39/169254839.db2.gz HWRRDGIGXQYXNW-UHFFFAOYSA-N 0 3 224.373 3.220 20 0 BGADHN CCCN[C@@](C)(CC)c1nc(C)cs1 ZINC000041061412 169283872 /nfs/dbraw/zinc/28/38/72/169283872.db2.gz MNNPMCHZIJXOBJ-NSHDSACASA-N 0 3 212.362 3.076 20 0 BGADHN CCCN[C@](C)(CC)c1nc(C)cs1 ZINC000041061413 169293384 /nfs/dbraw/zinc/29/33/84/169293384.db2.gz MNNPMCHZIJXOBJ-LLVKDONJSA-N 0 3 212.362 3.076 20 0 BGADHN CCCN[C@@H](C)c1nc2c(s1)CCCC2 ZINC000041061512 169277313 /nfs/dbraw/zinc/27/73/13/169277313.db2.gz ZBYBUBPRUDYRDJ-VIFPVBQESA-N 0 3 224.373 3.083 20 0 BGADHN CCCN[C@H](C)c1nc2c(s1)CCCC2 ZINC000041061513 169288347 /nfs/dbraw/zinc/28/83/47/169288347.db2.gz ZBYBUBPRUDYRDJ-SECBINFHSA-N 0 3 224.373 3.083 20 0 BGADHN CC(C)N[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000041061722 167131456 /nfs/dbraw/zinc/13/14/56/167131456.db2.gz FTNCDSPZGPPOAQ-VIFPVBQESA-N 0 3 226.389 3.500 20 0 BGADHN CC(C)N[C@H](C)c1nc(C(C)(C)C)cs1 ZINC000041061723 167139035 /nfs/dbraw/zinc/13/90/35/167139035.db2.gz FTNCDSPZGPPOAQ-SECBINFHSA-N 0 3 226.389 3.500 20 0 BGADHN C[C@H](N)c1nc2c(s1)CCCc1ccccc1-2 ZINC000041162258 410910997 /nfs/dbraw/zinc/91/09/97/410910997.db2.gz ZTFGGXRGUFMVCM-VIFPVBQESA-N 0 3 244.363 3.319 20 0 BGADHN Fc1ccccc1OCCN1CCCCCC1 ZINC000041278730 181014577 /nfs/dbraw/zinc/01/45/77/181014577.db2.gz UYYPSRZUNSHWGY-UHFFFAOYSA-N 0 3 237.318 3.081 20 0 BGADHN c1ccc(-c2cccc([C@@H]3CNCCO3)c2)cc1 ZINC000041282222 183381237 /nfs/dbraw/zinc/38/12/37/183381237.db2.gz ZNNYCVWUJNKILO-INIZCTEOSA-N 0 3 239.318 3.015 20 0 BGADHN c1ccc(-c2cccc([C@H]3CNCCO3)c2)cc1 ZINC000041282225 183381103 /nfs/dbraw/zinc/38/11/03/183381103.db2.gz ZNNYCVWUJNKILO-MRXNPFEDSA-N 0 3 239.318 3.015 20 0 BGADHN CNCc1nc(-c2ccc3c(c2)CCC3)cs1 ZINC000041291193 173394546 /nfs/dbraw/zinc/39/45/46/173394546.db2.gz URFVECBRVWSBSB-UHFFFAOYSA-N 0 3 244.363 3.018 20 0 BGADHN c1csc(-c2ccc([C@@H]3CNCCO3)cc2)c1 ZINC000041296307 374131523 /nfs/dbraw/zinc/13/15/23/374131523.db2.gz BMYNHWHDNXOXPC-ZDUSSCGKSA-N 0 3 245.347 3.076 20 0 BGADHN c1csc(-c2ccc([C@H]3CNCCO3)cc2)c1 ZINC000041296308 374131513 /nfs/dbraw/zinc/13/15/13/374131513.db2.gz BMYNHWHDNXOXPC-CYBMUJFWSA-N 0 3 245.347 3.076 20 0 BGADHN c1csc(-c2cccc([C@@H]3CNCCO3)c2)c1 ZINC000041296310 183329884 /nfs/dbraw/zinc/32/98/84/183329884.db2.gz MQLGZLHYVSNCHD-ZDUSSCGKSA-N 0 3 245.347 3.076 20 0 BGADHN c1csc(-c2cccc([C@H]3CNCCO3)c2)c1 ZINC000041296311 183328720 /nfs/dbraw/zinc/32/87/20/183328720.db2.gz MQLGZLHYVSNCHD-CYBMUJFWSA-N 0 3 245.347 3.076 20 0 BGADHN CN(Cc1cccs1)Cc1ccccc1 ZINC000041392534 387596095 /nfs/dbraw/zinc/59/60/95/387596095.db2.gz VZCNUXBITAFLAM-UHFFFAOYSA-N 0 3 217.337 3.380 20 0 BGADHN Cc1ccc(OCCCNCc2ccco2)cc1 ZINC000041582010 187354400 /nfs/dbraw/zinc/35/44/00/187354400.db2.gz JVNJWPHSGYZLFN-UHFFFAOYSA-N 0 3 245.322 3.147 20 0 BGADHN c1coc(CNCCCCOc2ccccc2)c1 ZINC000041582012 387602292 /nfs/dbraw/zinc/60/22/92/387602292.db2.gz RCOCOHJVDGBGMV-UHFFFAOYSA-N 0 3 245.322 3.228 20 0 BGADHN CCc1ccc([C@@H](C)NCc2c[nH]nc2C)s1 ZINC000041632019 384193803 /nfs/dbraw/zinc/19/38/03/384193803.db2.gz QBSRZPSUWSWVOA-SNVBAGLBSA-N 0 3 249.383 3.193 20 0 BGADHN CCc1ccc([C@H](C)NCc2c[nH]nc2C)s1 ZINC000041632022 384193992 /nfs/dbraw/zinc/19/39/92/384193992.db2.gz QBSRZPSUWSWVOA-JTQLQIEISA-N 0 3 249.383 3.193 20 0 BGADHN c1ccc(CCNc2ccnc3ccccc32)nc1 ZINC000041720185 183395335 /nfs/dbraw/zinc/39/53/35/183395335.db2.gz NWBMQDLWTWTLIR-UHFFFAOYSA-N 0 3 249.317 3.284 20 0 BGADHN c1coc(CNc2ccnc3ccccc32)c1 ZINC000041720199 358513797 /nfs/dbraw/zinc/51/37/97/358513797.db2.gz JVCKJHYRAHRDKK-UHFFFAOYSA-N 0 3 224.263 3.440 20 0 BGADHN CC[C@@H](C)Nc1ccnc2ccccc21 ZINC000041720210 322836216 /nfs/dbraw/zinc/83/62/16/322836216.db2.gz SRLWUOQRHPCFDC-SNVBAGLBSA-N 0 3 200.285 3.445 20 0 BGADHN CC[C@H](C)Nc1ccnc2ccccc21 ZINC000041720215 384629614 /nfs/dbraw/zinc/62/96/14/384629614.db2.gz SRLWUOQRHPCFDC-JTQLQIEISA-N 0 3 200.285 3.445 20 0 BGADHN CC(C)CNc1ccnc2ccccc21 ZINC000041720226 167018643 /nfs/dbraw/zinc/01/86/43/167018643.db2.gz PEVNRKMKMQKTRR-UHFFFAOYSA-N 0 3 200.285 3.303 20 0 BGADHN c1ccc(CNc2ccnc3ccccc32)nc1 ZINC000041720389 387608545 /nfs/dbraw/zinc/60/85/45/387608545.db2.gz JTRUPXOYKJDGTJ-UHFFFAOYSA-N 0 3 235.290 3.242 20 0 BGADHN CCOCCCNc1ccnc2ccccc21 ZINC000041720409 170383735 /nfs/dbraw/zinc/38/37/35/170383735.db2.gz RXUZLYFJKPMXGT-UHFFFAOYSA-N 0 3 230.311 3.073 20 0 BGADHN c1ccc2c(c1)nccc2NCc1cccnc1 ZINC000041720429 387608052 /nfs/dbraw/zinc/60/80/52/387608052.db2.gz AZDDXJLIOJOKAG-UHFFFAOYSA-N 0 3 235.290 3.242 20 0 BGADHN c1ccc2c(c1)nccc2NCC1CCC1 ZINC000041720474 387608885 /nfs/dbraw/zinc/60/88/85/387608885.db2.gz COUXIEOZZYDVKH-UHFFFAOYSA-N 0 3 212.296 3.447 20 0 BGADHN C[C@H](Nc1ccnc2ccccc21)C1CC1 ZINC000041720585 384631209 /nfs/dbraw/zinc/63/12/09/384631209.db2.gz QNDZGRRTRWTCHB-JTQLQIEISA-N 0 3 212.296 3.445 20 0 BGADHN C[C@@H](Nc1ccnc2ccccc21)C1CC1 ZINC000041720590 322836237 /nfs/dbraw/zinc/83/62/37/322836237.db2.gz QNDZGRRTRWTCHB-SNVBAGLBSA-N 0 3 212.296 3.445 20 0 BGADHN c1ccc2c(c1)nccc2NCCc1cccnc1 ZINC000041720785 384742238 /nfs/dbraw/zinc/74/22/38/384742238.db2.gz BUSAETWUWJROPQ-UHFFFAOYSA-N 0 3 249.317 3.284 20 0 BGADHN c1ccc2c(c1)nccc2NCCc1ccncc1 ZINC000041720790 384742581 /nfs/dbraw/zinc/74/25/81/384742581.db2.gz WWCKGICMISIQOV-UHFFFAOYSA-N 0 3 249.317 3.284 20 0 BGADHN c1ccc2c(c1)nccc2NC[C@@H]1CCCOC1 ZINC000041720961 384199026 /nfs/dbraw/zinc/19/90/26/384199026.db2.gz RVGJAZMZDWYFDN-LBPRGKRZSA-N 0 3 242.322 3.073 20 0 BGADHN c1ccc2c(c1)nccc2NC[C@H]1CCCOC1 ZINC000041720967 384198288 /nfs/dbraw/zinc/19/82/88/384198288.db2.gz RVGJAZMZDWYFDN-GFCCVEGCSA-N 0 3 242.322 3.073 20 0 BGADHN c1coc(CCNc2ccnc3ccccc32)c1 ZINC000041720977 358513812 /nfs/dbraw/zinc/51/38/12/358513812.db2.gz BYJBXTMCAHAECF-UHFFFAOYSA-N 0 3 238.290 3.482 20 0 BGADHN c1ccc2c(c1)nccc2NCC[C@H]1CCCO1 ZINC000041721057 351596774 /nfs/dbraw/zinc/59/67/74/351596774.db2.gz UUELOYUUTOWXQM-GFCCVEGCSA-N 0 3 242.322 3.216 20 0 BGADHN CCCCOCCNc1ccnc2ccccc21 ZINC000041721092 358514160 /nfs/dbraw/zinc/51/41/60/358514160.db2.gz WSQXKGUJOYTLHX-UHFFFAOYSA-N 0 3 244.338 3.463 20 0 BGADHN CC(C)C[C@@H](CO)Nc1ccnc2ccccc21 ZINC000041721161 384631832 /nfs/dbraw/zinc/63/18/32/384631832.db2.gz QVRJRLIEWGTVCN-LBPRGKRZSA-N 0 3 244.338 3.054 20 0 BGADHN CC(C)C[C@H](CO)Nc1ccnc2ccccc21 ZINC000041721166 384632109 /nfs/dbraw/zinc/63/21/09/384632109.db2.gz QVRJRLIEWGTVCN-GFCCVEGCSA-N 0 3 244.338 3.054 20 0 BGADHN c1csc(CNc2ccnc3ccccc32)n1 ZINC000041721182 387608183 /nfs/dbraw/zinc/60/81/83/387608183.db2.gz HXWPBTOSCYBXPI-UHFFFAOYSA-N 0 3 241.319 3.303 20 0 BGADHN Fc1ccc(-c2cc(CN3CCCC3)on2)cc1 ZINC000042121789 343093208 /nfs/dbraw/zinc/09/32/08/343093208.db2.gz MZSQSCZZQGVDQC-UHFFFAOYSA-N 0 3 246.285 3.077 20 0 BGADHN CCN(CC)Cc1cc(-c2ccc(F)cc2)no1 ZINC000042122707 343095179 /nfs/dbraw/zinc/09/51/79/343095179.db2.gz OLMJXOWBIQMRBS-UHFFFAOYSA-N 0 3 248.301 3.323 20 0 BGADHN Cc1noc(C)c1CN([C@@H](C)C1CC1)C1CC1 ZINC000042123183 387619974 /nfs/dbraw/zinc/61/99/74/387619974.db2.gz QIJJWIQIFPKWKN-JTQLQIEISA-N 0 3 234.343 3.054 20 0 BGADHN Cc1noc(C)c1CN([C@H](C)C1CC1)C1CC1 ZINC000042123184 387620622 /nfs/dbraw/zinc/62/06/22/387620622.db2.gz QIJJWIQIFPKWKN-SNVBAGLBSA-N 0 3 234.343 3.054 20 0 BGADHN CC[C@@H]1CCCN(Cc2nc3ccccc3o2)C1 ZINC000042145480 343114383 /nfs/dbraw/zinc/11/43/83/343114383.db2.gz YSRPKAWCXSTKCY-GFCCVEGCSA-N 0 3 244.338 3.450 20 0 BGADHN CC[C@H]1CCCN(Cc2nc3ccccc3o2)C1 ZINC000042145481 343114023 /nfs/dbraw/zinc/11/40/23/343114023.db2.gz YSRPKAWCXSTKCY-LBPRGKRZSA-N 0 3 244.338 3.450 20 0 BGADHN CCC[C@@H](C)N(C)Cc1nc2ccccc2o1 ZINC000042147528 343430434 /nfs/dbraw/zinc/43/04/34/343430434.db2.gz ZPLBHUVIUBRMOL-LLVKDONJSA-N 0 3 232.327 3.448 20 0 BGADHN CCC[C@H](C)N(C)Cc1nc2ccccc2o1 ZINC000042147529 343430221 /nfs/dbraw/zinc/43/02/21/343430221.db2.gz ZPLBHUVIUBRMOL-NSHDSACASA-N 0 3 232.327 3.448 20 0 BGADHN CC1(NCc2ccc(F)cc2F)CCCC1 ZINC000042176266 342995472 /nfs/dbraw/zinc/99/54/72/342995472.db2.gz XRMBGZIYMGNAPG-UHFFFAOYSA-N 0 3 225.282 3.387 20 0 BGADHN CC1(NCc2cc(F)ccc2F)CCCC1 ZINC000042176786 342995591 /nfs/dbraw/zinc/99/55/91/342995591.db2.gz YKGYJBGJGLOGTF-UHFFFAOYSA-N 0 3 225.282 3.387 20 0 BGADHN CC1(NCc2ccc(Cl)o2)CCCC1 ZINC000042176792 168062437 /nfs/dbraw/zinc/06/24/37/168062437.db2.gz RTUGMIMSGBETOM-UHFFFAOYSA-N 0 3 213.708 3.355 20 0 BGADHN CC1(NCc2cnc3ccccc3n2)CCCC1 ZINC000042176931 374252618 /nfs/dbraw/zinc/25/26/18/374252618.db2.gz VFLSBOLTLOMAJJ-UHFFFAOYSA-N 0 3 241.338 3.052 20 0 BGADHN CC1(NCc2cccc(F)c2F)CCCC1 ZINC000042186869 342995666 /nfs/dbraw/zinc/99/56/66/342995666.db2.gz HFLVTAQGEPQUCK-UHFFFAOYSA-N 0 3 225.282 3.387 20 0 BGADHN CC(C)NCc1csc(-c2ccccc2)n1 ZINC000042205322 167121499 /nfs/dbraw/zinc/12/14/99/167121499.db2.gz OAIZUMLZFFUQKS-UHFFFAOYSA-N 0 3 232.352 3.308 20 0 BGADHN CCCCC[C@@H](C)NCc1ncc(Cl)n1C ZINC000042222545 343431606 /nfs/dbraw/zinc/43/16/06/343431606.db2.gz HOELHIAFGMDROQ-SNVBAGLBSA-N 0 3 243.782 3.132 20 0 BGADHN CCCCC[C@H](C)NCc1ncc(Cl)n1C ZINC000042222546 343431498 /nfs/dbraw/zinc/43/14/98/343431498.db2.gz HOELHIAFGMDROQ-JTQLQIEISA-N 0 3 243.782 3.132 20 0 BGADHN C[C@H](NC[C@@H]1CCCCO1)c1ccc(F)cc1 ZINC000042223821 384207925 /nfs/dbraw/zinc/20/79/25/384207925.db2.gz DLCKYMSCHCMMPO-FZMZJTMJSA-N 0 3 237.318 3.045 20 0 BGADHN C[C@@H](NC[C@@H]1CCCCO1)c1ccc(F)cc1 ZINC000042223822 384208067 /nfs/dbraw/zinc/20/80/67/384208067.db2.gz DLCKYMSCHCMMPO-RISCZKNCSA-N 0 3 237.318 3.045 20 0 BGADHN C[C@H](NC[C@H]1CCCCO1)c1ccc(F)cc1 ZINC000042223823 384207712 /nfs/dbraw/zinc/20/77/12/384207712.db2.gz DLCKYMSCHCMMPO-SMDDNHRTSA-N 0 3 237.318 3.045 20 0 BGADHN C[C@@H](NC[C@H]1CCCCO1)c1ccc(F)cc1 ZINC000042223824 343431732 /nfs/dbraw/zinc/43/17/32/343431732.db2.gz DLCKYMSCHCMMPO-BXUZGUMPSA-N 0 3 237.318 3.045 20 0 BGADHN CC(C)OCCN[C@@H](C)c1ccccc1Cl ZINC000042224709 167243499 /nfs/dbraw/zinc/24/34/99/167243499.db2.gz JJQFAVWOPQWRKJ-NSHDSACASA-N 0 3 241.762 3.416 20 0 BGADHN CC(C)OCCN[C@H](C)c1ccccc1Cl ZINC000042224711 167243310 /nfs/dbraw/zinc/24/33/10/167243310.db2.gz JJQFAVWOPQWRKJ-LLVKDONJSA-N 0 3 241.762 3.416 20 0 BGADHN CC(C)OCCN[C@@H](C)c1cccc(Cl)c1 ZINC000042224713 167245426 /nfs/dbraw/zinc/24/54/26/167245426.db2.gz VMUPLZIHEMURBF-NSHDSACASA-N 0 3 241.762 3.416 20 0 BGADHN CC(C)OCCN[C@H](C)c1cccc(Cl)c1 ZINC000042224714 167244923 /nfs/dbraw/zinc/24/49/23/167244923.db2.gz VMUPLZIHEMURBF-LLVKDONJSA-N 0 3 241.762 3.416 20 0 BGADHN CC(C)OCCN[C@@H](C)c1ccc(Cl)cc1 ZINC000042224715 167243303 /nfs/dbraw/zinc/24/33/03/167243303.db2.gz ORXMOLCGYTVYMQ-NSHDSACASA-N 0 3 241.762 3.416 20 0 BGADHN CC(C)OCCN[C@H](C)c1ccc(Cl)cc1 ZINC000042224717 167243451 /nfs/dbraw/zinc/24/34/51/167243451.db2.gz ORXMOLCGYTVYMQ-LLVKDONJSA-N 0 3 241.762 3.416 20 0 BGADHN CCc1ccc([C@@H](C)NCCOC(C)C)cc1 ZINC000042224721 322837147 /nfs/dbraw/zinc/83/71/47/322837147.db2.gz HQPCQXSCIOJEFH-CYBMUJFWSA-N 0 3 235.371 3.325 20 0 BGADHN CCc1ccc([C@H](C)NCCOC(C)C)cc1 ZINC000042224723 322837138 /nfs/dbraw/zinc/83/71/38/322837138.db2.gz HQPCQXSCIOJEFH-ZDUSSCGKSA-N 0 3 235.371 3.325 20 0 BGADHN Cc1ccccc1[C@@H](C)NCCOC(C)C ZINC000042224725 179321676 /nfs/dbraw/zinc/32/16/76/179321676.db2.gz PLVYJAPFRWJBJW-CYBMUJFWSA-N 0 3 221.344 3.071 20 0 BGADHN Cc1ccccc1[C@H](C)NCCOC(C)C ZINC000042224727 179336662 /nfs/dbraw/zinc/33/66/62/179336662.db2.gz PLVYJAPFRWJBJW-ZDUSSCGKSA-N 0 3 221.344 3.071 20 0 BGADHN Fc1cccc(CNC(C2CC2)C2CC2)c1F ZINC000042237293 343432092 /nfs/dbraw/zinc/43/20/92/343432092.db2.gz KLDWJRBZEZEEIQ-UHFFFAOYSA-N 0 3 237.293 3.243 20 0 BGADHN CN(Cc1ccc(Br)cc1)C1CC1 ZINC000042240140 387623736 /nfs/dbraw/zinc/62/37/36/387623736.db2.gz XZZXIVSDHQGRLZ-UHFFFAOYSA-N 0 3 240.144 3.043 20 0 BGADHN COc1ccccc1CNCCc1ccsc1 ZINC000042240581 384209424 /nfs/dbraw/zinc/20/94/24/384209424.db2.gz GVWUIKORGSTCJI-UHFFFAOYSA-N 0 3 247.363 3.089 20 0 BGADHN Fc1ccccc1CNCCc1ccsc1 ZINC000042240584 181012965 /nfs/dbraw/zinc/01/29/65/181012965.db2.gz VEJDRZGHWCOXJT-UHFFFAOYSA-N 0 3 235.327 3.220 20 0 BGADHN Clc1ccc(CNCCc2ccsc2)o1 ZINC000042249060 344447719 /nfs/dbraw/zinc/44/77/19/344447719.db2.gz RXXHMPITNFPLAB-UHFFFAOYSA-N 0 3 241.743 3.327 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CNC[C@@H]2CCCCO2)o1 ZINC000042254313 384209133 /nfs/dbraw/zinc/20/91/33/384209133.db2.gz NEWPLLRCVLYYNC-DYEKYZERSA-N 0 3 249.354 3.062 20 0 BGADHN C[C@@H]1C[C@H]1c1ccc(CNC[C@@H]2CCCCO2)o1 ZINC000042254321 384208884 /nfs/dbraw/zinc/20/88/84/384208884.db2.gz NEWPLLRCVLYYNC-MBNYWOFBSA-N 0 3 249.354 3.062 20 0 BGADHN Cc1n[nH]cc1CN[C@@H](c1cccs1)C1CC1 ZINC000042267796 187231872 /nfs/dbraw/zinc/23/18/72/187231872.db2.gz ADTNXPSBPRIQRF-CYBMUJFWSA-N 0 3 247.367 3.021 20 0 BGADHN Cc1n[nH]cc1CN[C@H](c1cccs1)C1CC1 ZINC000042267798 387624202 /nfs/dbraw/zinc/62/42/02/387624202.db2.gz ADTNXPSBPRIQRF-ZDUSSCGKSA-N 0 3 247.367 3.021 20 0 BGADHN CC(C)OCCN[C@@H](C)c1ccc(Cl)s1 ZINC000042269278 384634998 /nfs/dbraw/zinc/63/49/98/384634998.db2.gz UUHSPNWHLSRMJS-VIFPVBQESA-N 0 3 247.791 3.477 20 0 BGADHN CC(C)OCCN[C@H](C)c1ccc(Cl)s1 ZINC000042269281 322837508 /nfs/dbraw/zinc/83/75/08/322837508.db2.gz UUHSPNWHLSRMJS-SECBINFHSA-N 0 3 247.791 3.477 20 0 BGADHN Cc1cc([C@@H](C)NCCOC(C)C)c(C)s1 ZINC000042269581 384635706 /nfs/dbraw/zinc/63/57/06/384635706.db2.gz VEAKAXWBCWHDBN-LLVKDONJSA-N 0 3 241.400 3.441 20 0 BGADHN Cc1cc([C@H](C)NCCOC(C)C)c(C)s1 ZINC000042269583 322837284 /nfs/dbraw/zinc/83/72/84/322837284.db2.gz VEAKAXWBCWHDBN-NSHDSACASA-N 0 3 241.400 3.441 20 0 BGADHN CCCCOCCNCc1cc(C)cc(C)c1 ZINC000042273805 322836572 /nfs/dbraw/zinc/83/65/72/322836572.db2.gz NJTUNDYGJJGOCS-UHFFFAOYSA-N 0 3 235.371 3.210 20 0 BGADHN Cc1ncc(CNCc2cc(C)cc(C)c2)s1 ZINC000042289023 343433491 /nfs/dbraw/zinc/43/34/91/343433491.db2.gz UORWMYUONSPVLW-UHFFFAOYSA-N 0 3 246.379 3.358 20 0 BGADHN CC(C)Oc1ncccc1CNC1CCCCC1 ZINC000042295887 410986933 /nfs/dbraw/zinc/98/69/33/410986933.db2.gz DYVRKAKDJAAAFG-UHFFFAOYSA-N 0 3 248.370 3.291 20 0 BGADHN CN(Cc1cccc(Br)c1)C1CC1 ZINC000042295937 384211153 /nfs/dbraw/zinc/21/11/53/384211153.db2.gz SRXLXOZJJYVQOL-UHFFFAOYSA-N 0 3 240.144 3.043 20 0 BGADHN CC(C)CCN(C)Cc1ccc(Cl)nc1 ZINC000042339657 712720587 /nfs/dbraw/zinc/72/05/87/712720587.db2.gz ROEITQMHZYIBFR-UHFFFAOYSA-N 0 3 226.751 3.213 20 0 BGADHN CCN(C)Cc1ccc(F)c(Br)c1 ZINC000042340587 361981879 /nfs/dbraw/zinc/98/18/79/361981879.db2.gz VHGHFXRZNWGGKY-UHFFFAOYSA-N 0 3 246.123 3.040 20 0 BGADHN CCC1CCC(NCc2cscn2)CC1 ZINC000042371698 344450957 /nfs/dbraw/zinc/45/09/57/344450957.db2.gz QWNPAEURQQHWPF-UHFFFAOYSA-N 0 3 224.373 3.202 20 0 BGADHN C[C@@H](Cc1ccsc1)NCc1ccco1 ZINC000042371761 322837753 /nfs/dbraw/zinc/83/77/53/322837753.db2.gz TYRUFKDHLFTOBN-JTQLQIEISA-N 0 3 221.325 3.062 20 0 BGADHN C[C@H](Cc1ccsc1)NCc1ccco1 ZINC000042371762 322837819 /nfs/dbraw/zinc/83/78/19/322837819.db2.gz TYRUFKDHLFTOBN-SNVBAGLBSA-N 0 3 221.325 3.062 20 0 BGADHN Cc1ccc(CN[C@@H](C)Cc2ccsc2)o1 ZINC000042371773 361988069 /nfs/dbraw/zinc/98/80/69/361988069.db2.gz SBKPQHRGXAFZJV-JTQLQIEISA-N 0 3 235.352 3.370 20 0 BGADHN Cc1ccc(CN[C@H](C)Cc2ccsc2)o1 ZINC000042371774 361987759 /nfs/dbraw/zinc/98/77/59/361987759.db2.gz SBKPQHRGXAFZJV-SNVBAGLBSA-N 0 3 235.352 3.370 20 0 BGADHN CCN(CC)Cc1csc(Br)c1 ZINC000042377217 344452207 /nfs/dbraw/zinc/45/22/07/344452207.db2.gz YEINATUZOXIVSO-UHFFFAOYSA-N 0 3 248.189 3.352 20 0 BGADHN CCC(CC)NCc1cccnc1OC(C)C ZINC000042391466 538977720 /nfs/dbraw/zinc/97/77/20/538977720.db2.gz IUDAKIQVTUOELU-UHFFFAOYSA-N 0 3 236.359 3.147 20 0 BGADHN CC(C)Oc1ncccc1CN[C@H](C)C(C)C ZINC000042391476 538977753 /nfs/dbraw/zinc/97/77/53/538977753.db2.gz IPMFPWZPRMVQRA-GFCCVEGCSA-N 0 3 236.359 3.003 20 0 BGADHN CC(C)Oc1ncccc1CN[C@@H](C)C(C)C ZINC000042391480 538977582 /nfs/dbraw/zinc/97/75/82/538977582.db2.gz IPMFPWZPRMVQRA-LBPRGKRZSA-N 0 3 236.359 3.003 20 0 BGADHN CCC[C@@H](C)NCc1cccnc1OC(C)C ZINC000042391514 538977564 /nfs/dbraw/zinc/97/75/64/538977564.db2.gz RHDXFWVKOBVTQV-GFCCVEGCSA-N 0 3 236.359 3.147 20 0 BGADHN CCC[C@H](C)NCc1cccnc1OC(C)C ZINC000042391517 538977588 /nfs/dbraw/zinc/97/75/88/538977588.db2.gz RHDXFWVKOBVTQV-LBPRGKRZSA-N 0 3 236.359 3.147 20 0 BGADHN CC[C@@H](C)CNCc1cccnc1OC(C)C ZINC000042391526 538977896 /nfs/dbraw/zinc/97/78/96/538977896.db2.gz CQOWIRDDCWBAGZ-GFCCVEGCSA-N 0 3 236.359 3.005 20 0 BGADHN CC[C@H](C)CNCc1cccnc1OC(C)C ZINC000042391530 538977692 /nfs/dbraw/zinc/97/76/92/538977692.db2.gz CQOWIRDDCWBAGZ-LBPRGKRZSA-N 0 3 236.359 3.005 20 0 BGADHN CC(C)Oc1ncccc1CNCC(C)(C)C ZINC000042391595 342774863 /nfs/dbraw/zinc/77/48/63/342774863.db2.gz LYLAWNMCAOUZPW-UHFFFAOYSA-N 0 3 236.359 3.005 20 0 BGADHN CCNCc1cnc(CCc2ccccc2)s1 ZINC000042406960 170131074 /nfs/dbraw/zinc/13/10/74/170131074.db2.gz FCZVCYNJWFLOBM-UHFFFAOYSA-N 0 3 246.379 3.038 20 0 BGADHN CC[C@@H](C)[C@@H](C)NCc1ccc(F)cc1F ZINC000042551446 322838850 /nfs/dbraw/zinc/83/88/50/322838850.db2.gz AJSWCPRPHATBJL-NXEZZACHSA-N 0 3 227.298 3.489 20 0 BGADHN CC[C@H](C)[C@@H](C)NCc1ccc(F)cc1F ZINC000042551449 384643110 /nfs/dbraw/zinc/64/31/10/384643110.db2.gz AJSWCPRPHATBJL-VHSXEESVSA-N 0 3 227.298 3.489 20 0 BGADHN CC[C@@H](C)[C@H](C)NCc1ccc(F)cc1F ZINC000042551452 322838699 /nfs/dbraw/zinc/83/86/99/322838699.db2.gz AJSWCPRPHATBJL-ZJUUUORDSA-N 0 3 227.298 3.489 20 0 BGADHN CC[C@H](C)[C@H](C)NCc1ccc(F)cc1F ZINC000042551455 384642501 /nfs/dbraw/zinc/64/25/01/384642501.db2.gz AJSWCPRPHATBJL-UWVGGRQHSA-N 0 3 227.298 3.489 20 0 BGADHN CC[C@@H](C)[C@@H](C)NCc1c(F)cccc1F ZINC000042551673 384643849 /nfs/dbraw/zinc/64/38/49/384643849.db2.gz QNRRLSSPQDERSH-NXEZZACHSA-N 0 3 227.298 3.489 20 0 BGADHN CC[C@H](C)[C@@H](C)NCc1c(F)cccc1F ZINC000042551676 384643791 /nfs/dbraw/zinc/64/37/91/384643791.db2.gz QNRRLSSPQDERSH-VHSXEESVSA-N 0 3 227.298 3.489 20 0 BGADHN CC[C@@H](C)[C@H](C)NCc1c(F)cccc1F ZINC000042551679 322838727 /nfs/dbraw/zinc/83/87/27/322838727.db2.gz QNRRLSSPQDERSH-ZJUUUORDSA-N 0 3 227.298 3.489 20 0 BGADHN CC[C@H](C)[C@H](C)NCc1c(F)cccc1F ZINC000042551682 322838692 /nfs/dbraw/zinc/83/86/92/322838692.db2.gz QNRRLSSPQDERSH-UWVGGRQHSA-N 0 3 227.298 3.489 20 0 BGADHN CC[C@@H](C)[C@@H](C)NCc1cc(F)ccc1F ZINC000042553301 384642580 /nfs/dbraw/zinc/64/25/80/384642580.db2.gz XDTOGJUCWYFXRL-NXEZZACHSA-N 0 3 227.298 3.489 20 0 BGADHN CC[C@H](C)[C@@H](C)NCc1cc(F)ccc1F ZINC000042553304 384643576 /nfs/dbraw/zinc/64/35/76/384643576.db2.gz XDTOGJUCWYFXRL-VHSXEESVSA-N 0 3 227.298 3.489 20 0 BGADHN CC[C@@H](C)[C@H](C)NCc1cc(F)ccc1F ZINC000042553308 322838762 /nfs/dbraw/zinc/83/87/62/322838762.db2.gz XDTOGJUCWYFXRL-ZJUUUORDSA-N 0 3 227.298 3.489 20 0 BGADHN CC[C@H](C)[C@H](C)NCc1cc(F)ccc1F ZINC000042553311 384643469 /nfs/dbraw/zinc/64/34/69/384643469.db2.gz XDTOGJUCWYFXRL-UWVGGRQHSA-N 0 3 227.298 3.489 20 0 BGADHN CC[C@@H](C)[C@@H](C)NCc1ccc(Cl)o1 ZINC000042553314 384643734 /nfs/dbraw/zinc/64/37/34/384643734.db2.gz NHNMNZAWSYLPLO-RKDXNWHRSA-N 0 3 215.724 3.457 20 0 BGADHN CC[C@H](C)[C@@H](C)NCc1ccc(Cl)o1 ZINC000042553319 322838816 /nfs/dbraw/zinc/83/88/16/322838816.db2.gz NHNMNZAWSYLPLO-DTWKUNHWSA-N 0 3 215.724 3.457 20 0 BGADHN CC[C@@H](C)[C@H](C)NCc1ccc(Cl)o1 ZINC000042553322 384642596 /nfs/dbraw/zinc/64/25/96/384642596.db2.gz NHNMNZAWSYLPLO-BDAKNGLRSA-N 0 3 215.724 3.457 20 0 BGADHN CC[C@H](C)[C@H](C)NCc1ccc(Cl)o1 ZINC000042553325 384642214 /nfs/dbraw/zinc/64/22/14/384642214.db2.gz NHNMNZAWSYLPLO-IUCAKERBSA-N 0 3 215.724 3.457 20 0 BGADHN CC[C@@H](C)[C@@H](C)NCc1cnc2ccccc2n1 ZINC000042553907 342777509 /nfs/dbraw/zinc/77/75/09/342777509.db2.gz SLQOFXAQKVCMAV-VXGBXAGGSA-N 0 3 243.354 3.154 20 0 BGADHN CC[C@H](C)[C@@H](C)NCc1cnc2ccccc2n1 ZINC000042553910 171365621 /nfs/dbraw/zinc/36/56/21/171365621.db2.gz SLQOFXAQKVCMAV-NWDGAFQWSA-N 0 3 243.354 3.154 20 0 BGADHN CC[C@@H](C)[C@H](C)NCc1cnc2ccccc2n1 ZINC000042553913 342777462 /nfs/dbraw/zinc/77/74/62/342777462.db2.gz SLQOFXAQKVCMAV-NEPJUHHUSA-N 0 3 243.354 3.154 20 0 BGADHN CC[C@H](C)[C@H](C)NCc1cnc2ccccc2n1 ZINC000042553916 171389704 /nfs/dbraw/zinc/38/97/04/171389704.db2.gz SLQOFXAQKVCMAV-RYUDHWBXSA-N 0 3 243.354 3.154 20 0 BGADHN CC[C@@H](C)[C@@H](C)NCc1cccc(F)c1F ZINC000042555393 342777838 /nfs/dbraw/zinc/77/78/38/342777838.db2.gz UCJNEYMPOIZSKY-NXEZZACHSA-N 0 3 227.298 3.489 20 0 BGADHN CC[C@H](C)[C@@H](C)NCc1cccc(F)c1F ZINC000042555396 342777803 /nfs/dbraw/zinc/77/78/03/342777803.db2.gz UCJNEYMPOIZSKY-VHSXEESVSA-N 0 3 227.298 3.489 20 0 BGADHN CC[C@@H](C)[C@H](C)NCc1cccc(F)c1F ZINC000042555399 342777719 /nfs/dbraw/zinc/77/77/19/342777719.db2.gz UCJNEYMPOIZSKY-ZJUUUORDSA-N 0 3 227.298 3.489 20 0 BGADHN CC[C@H](C)[C@H](C)NCc1cccc(F)c1F ZINC000042555402 342777634 /nfs/dbraw/zinc/77/76/34/342777634.db2.gz UCJNEYMPOIZSKY-UWVGGRQHSA-N 0 3 227.298 3.489 20 0 BGADHN CC(C)CN(Cc1ccc(Cl)nc1)C1CC1 ZINC000042556888 344458332 /nfs/dbraw/zinc/45/83/32/344458332.db2.gz MYALGRJFQVYNQK-UHFFFAOYSA-N 0 3 238.762 3.355 20 0 BGADHN CCCCC[C@@H](C)NCc1nccn1C(F)F ZINC000042570402 343443597 /nfs/dbraw/zinc/44/35/97/343443597.db2.gz RBVCTDPOIGUQNW-SNVBAGLBSA-N 0 3 245.317 3.337 20 0 BGADHN CCCCC[C@H](C)NCc1nccn1C(F)F ZINC000042570405 343443615 /nfs/dbraw/zinc/44/36/15/343443615.db2.gz RBVCTDPOIGUQNW-JTQLQIEISA-N 0 3 245.317 3.337 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1NCc1nc(C)c(C)o1 ZINC000042578585 358527045 /nfs/dbraw/zinc/52/70/45/358527045.db2.gz KAZGBFCEMRFVBC-OLZOCXBDSA-N 0 3 236.359 3.350 20 0 BGADHN CC[C@H]1CCCC[C@@H]1NCc1nc(C)c(C)o1 ZINC000042578588 358526929 /nfs/dbraw/zinc/52/69/29/358526929.db2.gz KAZGBFCEMRFVBC-STQMWFEESA-N 0 3 236.359 3.350 20 0 BGADHN CC[C@@H]1CCCC[C@H]1NCc1nc(C)c(C)o1 ZINC000042578591 358527059 /nfs/dbraw/zinc/52/70/59/358527059.db2.gz KAZGBFCEMRFVBC-CHWSQXEVSA-N 0 3 236.359 3.350 20 0 BGADHN CC[C@H]1CCCC[C@H]1NCc1nc(C)c(C)o1 ZINC000042578594 358526804 /nfs/dbraw/zinc/52/68/04/358526804.db2.gz KAZGBFCEMRFVBC-QWHCGFSZSA-N 0 3 236.359 3.350 20 0 BGADHN CC[C@H](NCc1ccc(Cl)o1)C(C)C ZINC000042585664 322839183 /nfs/dbraw/zinc/83/91/83/322839183.db2.gz AAJNWHZFXIJXAJ-JTQLQIEISA-N 0 3 215.724 3.457 20 0 BGADHN CC[C@@H](NCc1ccc(Cl)o1)C(C)C ZINC000042585667 322838978 /nfs/dbraw/zinc/83/89/78/322838978.db2.gz AAJNWHZFXIJXAJ-SNVBAGLBSA-N 0 3 215.724 3.457 20 0 BGADHN C[C@H](NCCc1ccsc1)c1ccco1 ZINC000042599037 384833866 /nfs/dbraw/zinc/83/38/66/384833866.db2.gz FLHPSMHVSNTEPS-JTQLQIEISA-N 0 3 221.325 3.234 20 0 BGADHN C[C@@H](NCCc1ccsc1)c1ccco1 ZINC000042599041 384834174 /nfs/dbraw/zinc/83/41/74/384834174.db2.gz FLHPSMHVSNTEPS-SNVBAGLBSA-N 0 3 221.325 3.234 20 0 BGADHN CC(C)OCCN(C)[C@@H]1CCc2ccccc21 ZINC000042635261 344941729 /nfs/dbraw/zinc/94/17/29/344941729.db2.gz WZEWRWPBZSOOLL-OAHLLOKOSA-N 0 3 233.355 3.031 20 0 BGADHN CC(C)OCCN(C)[C@H]1CCc2ccccc21 ZINC000042635262 344941948 /nfs/dbraw/zinc/94/19/48/344941948.db2.gz WZEWRWPBZSOOLL-HNNXBMFYSA-N 0 3 233.355 3.031 20 0 BGADHN CC/C=C(/C)C(=O)Nc1cccc(CN(C)C)c1 ZINC000042721364 643140315 /nfs/dbraw/zinc/14/03/15/643140315.db2.gz GMCIQCMYVXZYBO-GHXNOFRVSA-N 0 3 246.354 3.043 20 0 BGADHN CCC[C@@H](C)C(=O)Nc1ccc(CN(C)C)cc1 ZINC000042751729 368319471 /nfs/dbraw/zinc/31/94/71/368319471.db2.gz SYVUAYSWUVPAGO-GFCCVEGCSA-N 0 3 248.370 3.123 20 0 BGADHN CCC[C@H](C)C(=O)Nc1ccc(CN(C)C)cc1 ZINC000042751730 368319575 /nfs/dbraw/zinc/31/95/75/368319575.db2.gz SYVUAYSWUVPAGO-LBPRGKRZSA-N 0 3 248.370 3.123 20 0 BGADHN CC/C=C(\C)C(=O)Nc1ccc(CN(C)C)cc1 ZINC000042751740 368319551 /nfs/dbraw/zinc/31/95/51/368319551.db2.gz MTUCVOOQLIVOOA-WUXMJOGZSA-N 0 3 246.354 3.043 20 0 BGADHN CCC[C@@H](C)C(=O)Nc1ccccc1CN(C)C ZINC000042752617 411039106 /nfs/dbraw/zinc/03/91/06/411039106.db2.gz VTKOQOSVIWPHPI-GFCCVEGCSA-N 0 3 248.370 3.123 20 0 BGADHN CCC[C@H](C)C(=O)Nc1ccccc1CN(C)C ZINC000042752618 411467481 /nfs/dbraw/zinc/46/74/81/411467481.db2.gz VTKOQOSVIWPHPI-LBPRGKRZSA-N 0 3 248.370 3.123 20 0 BGADHN c1c2ccccc2oc1CNC[C@@H]1CCCCO1 ZINC000042813655 384247838 /nfs/dbraw/zinc/24/78/38/384247838.db2.gz ATYQCQINXUUYMC-ZDUSSCGKSA-N 0 3 245.322 3.092 20 0 BGADHN c1c2ccccc2oc1CNC[C@H]1CCCCO1 ZINC000042813659 384248092 /nfs/dbraw/zinc/24/80/92/384248092.db2.gz ATYQCQINXUUYMC-CYBMUJFWSA-N 0 3 245.322 3.092 20 0 BGADHN Clc1ccc(CNC[C@@H]2CCCCO2)s1 ZINC000042813684 344467705 /nfs/dbraw/zinc/46/77/05/344467705.db2.gz KIPZQFKEGCKSIN-VIFPVBQESA-N 0 3 245.775 3.060 20 0 BGADHN Clc1ccc(CNC[C@H]2CCCCO2)s1 ZINC000042813688 344467697 /nfs/dbraw/zinc/46/76/97/344467697.db2.gz KIPZQFKEGCKSIN-SECBINFHSA-N 0 3 245.775 3.060 20 0 BGADHN Cc1cc([C@@H](C)NC[C@@H]2CCCCO2)c(C)o1 ZINC000042814687 178226963 /nfs/dbraw/zinc/22/69/63/178226963.db2.gz JCKBJBONECRBLB-YPMHNXCESA-N 0 3 237.343 3.116 20 0 BGADHN Cc1cc([C@H](C)NC[C@@H]2CCCCO2)c(C)o1 ZINC000042814692 178248398 /nfs/dbraw/zinc/24/83/98/178248398.db2.gz JCKBJBONECRBLB-AAEUAGOBSA-N 0 3 237.343 3.116 20 0 BGADHN Cc1cc([C@@H](C)NC[C@H]2CCCCO2)c(C)o1 ZINC000042814698 178226900 /nfs/dbraw/zinc/22/69/00/178226900.db2.gz JCKBJBONECRBLB-DGCLKSJQSA-N 0 3 237.343 3.116 20 0 BGADHN Cc1cc([C@H](C)NC[C@H]2CCCCO2)c(C)o1 ZINC000042814703 178251027 /nfs/dbraw/zinc/25/10/27/178251027.db2.gz JCKBJBONECRBLB-WCQYABFASA-N 0 3 237.343 3.116 20 0 BGADHN Cc1cc(CNC[C@@H]2CCCCO2)c(C)s1 ZINC000042817981 178023558 /nfs/dbraw/zinc/02/35/58/178023558.db2.gz SSGQULUMUNOOLO-ZDUSSCGKSA-N 0 3 239.384 3.024 20 0 BGADHN Cc1cc(CNC[C@H]2CCCCO2)c(C)s1 ZINC000042817985 178024311 /nfs/dbraw/zinc/02/43/11/178024311.db2.gz SSGQULUMUNOOLO-CYBMUJFWSA-N 0 3 239.384 3.024 20 0 BGADHN c1ccc2c(c1)nccc2NC[C@@H]1CCCCO1 ZINC000042822140 384246458 /nfs/dbraw/zinc/24/64/58/384246458.db2.gz LFGNYGLYKBPQSF-LBPRGKRZSA-N 0 3 242.322 3.216 20 0 BGADHN c1ccc2c(c1)nccc2NC[C@H]1CCCCO1 ZINC000042822144 183440254 /nfs/dbraw/zinc/44/02/54/183440254.db2.gz LFGNYGLYKBPQSF-GFCCVEGCSA-N 0 3 242.322 3.216 20 0 BGADHN C[C@@H]1CCCC[C@@H]1CNCc1ccco1 ZINC000042856869 176077499 /nfs/dbraw/zinc/07/74/99/176077499.db2.gz VIJUNQDTJNIVKD-VXGBXAGGSA-N 0 3 207.317 3.196 20 0 BGADHN C[C@H]1CCCC[C@@H]1CNCc1ccco1 ZINC000042856872 177079637 /nfs/dbraw/zinc/07/96/37/177079637.db2.gz VIJUNQDTJNIVKD-NWDGAFQWSA-N 0 3 207.317 3.196 20 0 BGADHN C[C@@H]1CCCC[C@H]1CNCc1ccco1 ZINC000042856875 176085467 /nfs/dbraw/zinc/08/54/67/176085467.db2.gz VIJUNQDTJNIVKD-NEPJUHHUSA-N 0 3 207.317 3.196 20 0 BGADHN C[C@H]1CCCC[C@H]1CNCc1ccco1 ZINC000042856878 177085926 /nfs/dbraw/zinc/08/59/26/177085926.db2.gz VIJUNQDTJNIVKD-RYUDHWBXSA-N 0 3 207.317 3.196 20 0 BGADHN Cc1nc(CNC[C@@H]2CCCC[C@@H]2C)cs1 ZINC000042857907 358531158 /nfs/dbraw/zinc/53/11/58/358531158.db2.gz UUFCWAJLEXQDHA-JQWIXIFHSA-N 0 3 238.400 3.367 20 0 BGADHN Cc1nc(CNC[C@H]2CCCC[C@@H]2C)cs1 ZINC000042857910 358531619 /nfs/dbraw/zinc/53/16/19/358531619.db2.gz UUFCWAJLEXQDHA-CMPLNLGQSA-N 0 3 238.400 3.367 20 0 BGADHN Cc1nc(CNC[C@@H]2CCCC[C@H]2C)cs1 ZINC000042857913 358531401 /nfs/dbraw/zinc/53/14/01/358531401.db2.gz UUFCWAJLEXQDHA-PWSUYJOCSA-N 0 3 238.400 3.367 20 0 BGADHN Cc1nc(CNC[C@H]2CCCC[C@H]2C)cs1 ZINC000042857916 358531560 /nfs/dbraw/zinc/53/15/60/358531560.db2.gz UUFCWAJLEXQDHA-ZYHUDNBSSA-N 0 3 238.400 3.367 20 0 BGADHN C[C@@H]1CCCC[C@@H]1CNCc1cscn1 ZINC000042859681 176077975 /nfs/dbraw/zinc/07/79/75/176077975.db2.gz VUTIGJKEAIVXMW-GHMZBOCLSA-N 0 3 224.373 3.059 20 0 BGADHN C[C@H]1CCCC[C@@H]1CNCc1cscn1 ZINC000042859683 177079865 /nfs/dbraw/zinc/07/98/65/177079865.db2.gz VUTIGJKEAIVXMW-WDEREUQCSA-N 0 3 224.373 3.059 20 0 BGADHN C[C@@H]1CCCC[C@H]1CNCc1cscn1 ZINC000042859685 176085558 /nfs/dbraw/zinc/08/55/58/176085558.db2.gz VUTIGJKEAIVXMW-MNOVXSKESA-N 0 3 224.373 3.059 20 0 BGADHN C[C@H]1CCCC[C@H]1CNCc1cscn1 ZINC000042859687 177085940 /nfs/dbraw/zinc/08/59/40/177085940.db2.gz VUTIGJKEAIVXMW-QWRGUYRKSA-N 0 3 224.373 3.059 20 0 BGADHN CCc1ccc(CN(C)C[C@@H]2CCCCO2)cc1 ZINC000042977012 348981997 /nfs/dbraw/zinc/98/19/97/348981997.db2.gz WBPSBBKTVKZCAE-INIZCTEOSA-N 0 3 247.382 3.250 20 0 BGADHN CCc1ccc(CN(C)C[C@H]2CCCCO2)cc1 ZINC000042977014 368387365 /nfs/dbraw/zinc/38/73/65/368387365.db2.gz WBPSBBKTVKZCAE-MRXNPFEDSA-N 0 3 247.382 3.250 20 0 BGADHN CN(CCOc1ccccc1)Cc1cccs1 ZINC000042977427 362047948 /nfs/dbraw/zinc/04/79/48/362047948.db2.gz FARODSAULNBVPW-UHFFFAOYSA-N 0 3 247.363 3.259 20 0 BGADHN CCCCOCCNCc1cccc(C)c1C ZINC000043314279 322839609 /nfs/dbraw/zinc/83/96/09/322839609.db2.gz GZEWEWOFWXKHQM-UHFFFAOYSA-N 0 3 235.371 3.210 20 0 BGADHN Cc1ncc(CNCc2cccc(C)c2C)s1 ZINC000043314301 180154110 /nfs/dbraw/zinc/15/41/10/180154110.db2.gz GOMGAJLYVYZQPB-UHFFFAOYSA-N 0 3 246.379 3.358 20 0 BGADHN FC(F)Oc1ccc(CNC2CC2)cc1Cl ZINC000043479947 343474456 /nfs/dbraw/zinc/47/44/56/343474456.db2.gz PIYDAMHQSXNPQJ-UHFFFAOYSA-N 0 3 247.672 3.193 20 0 BGADHN C[C@@H](CCNCc1ccccn1)c1ccccc1 ZINC000043532805 343476954 /nfs/dbraw/zinc/47/69/54/343476954.db2.gz YWIJESUQEYYRIB-AWEZNQCLSA-N 0 3 240.350 3.365 20 0 BGADHN C[C@H](CCNCc1ccccn1)c1ccccc1 ZINC000043532807 343476611 /nfs/dbraw/zinc/47/66/11/343476611.db2.gz YWIJESUQEYYRIB-CQSZACIVSA-N 0 3 240.350 3.365 20 0 BGADHN C[C@@H](CCNCc1nccs1)c1ccccc1 ZINC000043534304 343477155 /nfs/dbraw/zinc/47/71/55/343477155.db2.gz IXHUMIIKNCHYMV-LBPRGKRZSA-N 0 3 246.379 3.427 20 0 BGADHN C[C@H](CCNCc1nccs1)c1ccccc1 ZINC000043534306 343477347 /nfs/dbraw/zinc/47/73/47/343477347.db2.gz IXHUMIIKNCHYMV-GFCCVEGCSA-N 0 3 246.379 3.427 20 0 BGADHN CC[C@@H](C)NCc1ccc(Cl)cc1OC ZINC000043565335 187293010 /nfs/dbraw/zinc/29/30/10/187293010.db2.gz IWISIAOYNWPPEB-SECBINFHSA-N 0 3 227.735 3.237 20 0 BGADHN CC[C@H](C)NCc1ccc(Cl)cc1OC ZINC000043565337 171342760 /nfs/dbraw/zinc/34/27/60/171342760.db2.gz IWISIAOYNWPPEB-VIFPVBQESA-N 0 3 227.735 3.237 20 0 BGADHN Fc1ccc(CNC2CC2)cc1C(F)(F)F ZINC000043566558 343477856 /nfs/dbraw/zinc/47/78/56/343477856.db2.gz OJIKSIQDQCSVPC-UHFFFAOYSA-N 0 3 233.208 3.097 20 0 BGADHN c1ccc(CN(C[C@@H]2CCCCO2)C2CC2)cc1 ZINC000043643156 343479427 /nfs/dbraw/zinc/47/94/27/343479427.db2.gz IZTNZCILAVWOTQ-INIZCTEOSA-N 0 3 245.366 3.220 20 0 BGADHN c1ccc(CN(C[C@H]2CCCCO2)C2CC2)cc1 ZINC000043643157 368404427 /nfs/dbraw/zinc/40/44/27/368404427.db2.gz IZTNZCILAVWOTQ-MRXNPFEDSA-N 0 3 245.366 3.220 20 0 BGADHN CC(C)OCCN(Cc1ccccc1)C1CC1 ZINC000043643337 368404230 /nfs/dbraw/zinc/40/42/30/368404230.db2.gz TWHGMMGRMCHLCI-UHFFFAOYSA-N 0 3 233.355 3.076 20 0 BGADHN C#CCN1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000043670010 641570340 /nfs/dbraw/zinc/57/03/40/641570340.db2.gz PHNMMXDMTXIGIY-SFHVURJKSA-N 0 3 247.341 3.267 20 0 BGADHN C#CCN1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000043670013 641569717 /nfs/dbraw/zinc/56/97/17/641569717.db2.gz PHNMMXDMTXIGIY-GOSISDBHSA-N 0 3 247.341 3.267 20 0 BGADHN CC(C)NCc1sccc1Br ZINC000043674508 167122993 /nfs/dbraw/zinc/12/29/93/167122993.db2.gz WINUYEPLIQYODF-UHFFFAOYSA-N 0 3 234.162 3.009 20 0 BGADHN CC[C@@H](C)NCc1sccc1Br ZINC000043674533 344532277 /nfs/dbraw/zinc/53/22/77/344532277.db2.gz TUEROQRAXGZOIC-SSDOTTSWSA-N 0 3 248.189 3.399 20 0 BGADHN CC[C@H](C)NCc1sccc1Br ZINC000043674534 171344481 /nfs/dbraw/zinc/34/44/81/171344481.db2.gz TUEROQRAXGZOIC-ZETCQYMHSA-N 0 3 248.189 3.399 20 0 BGADHN CC(C)CNCc1sccc1Br ZINC000043674536 167010537 /nfs/dbraw/zinc/01/05/37/167010537.db2.gz VXLOZIRDDNAAFN-UHFFFAOYSA-N 0 3 248.189 3.256 20 0 BGADHN Brc1ccsc1CNCC1CC1 ZINC000043674542 166105081 /nfs/dbraw/zinc/10/50/81/166105081.db2.gz ILMUAXOALVLUMH-UHFFFAOYSA-N 0 3 246.173 3.010 20 0 BGADHN CCCNCc1sccc1Br ZINC000043674804 169270944 /nfs/dbraw/zinc/27/09/44/169270944.db2.gz HMNBTZUXSBQWDJ-UHFFFAOYSA-N 0 3 234.162 3.010 20 0 BGADHN CCN(CC)Cc1cc(Br)cs1 ZINC000043686923 344531416 /nfs/dbraw/zinc/53/14/16/344531416.db2.gz LMXYMYCSTJDLBP-UHFFFAOYSA-N 0 3 248.189 3.352 20 0 BGADHN CN(Cc1cc(Br)cs1)C1CC1 ZINC000043686999 384202465 /nfs/dbraw/zinc/20/24/65/384202465.db2.gz RFEFVZIJXJBHNQ-UHFFFAOYSA-N 0 3 246.173 3.105 20 0 BGADHN Cc1noc(C)c1CN(C)CC1CCCCC1 ZINC000043999872 358545473 /nfs/dbraw/zinc/54/54/73/358545473.db2.gz GTOCPUKDWLNCJA-UHFFFAOYSA-N 0 3 236.359 3.304 20 0 BGADHN CCN[C@@H](COC)c1cccc(C(F)(F)F)c1 ZINC000044043604 170146148 /nfs/dbraw/zinc/14/61/48/170146148.db2.gz JPPXVPOWXXIEAS-NSHDSACASA-N 0 3 247.260 3.002 20 0 BGADHN CCN[C@H](COC)c1cccc(C(F)(F)F)c1 ZINC000044043608 170162496 /nfs/dbraw/zinc/16/24/96/170162496.db2.gz JPPXVPOWXXIEAS-LLVKDONJSA-N 0 3 247.260 3.002 20 0 BGADHN CCCCN(C)C[C@@H](O)c1cc2ccccc2o1 ZINC000044122825 343492219 /nfs/dbraw/zinc/49/22/19/343492219.db2.gz WYLWIRICNODINB-CYBMUJFWSA-N 0 3 247.338 3.198 20 0 BGADHN Clc1ccc(CNC[C@H]2CC=CCC2)o1 ZINC000044290117 344538681 /nfs/dbraw/zinc/53/86/81/344538681.db2.gz POFUDWOURMQANM-JTQLQIEISA-N 0 3 225.719 3.379 20 0 BGADHN Clc1ccc(CNC[C@@H]2CC=CCC2)o1 ZINC000044290121 344538437 /nfs/dbraw/zinc/53/84/37/344538437.db2.gz POFUDWOURMQANM-SNVBAGLBSA-N 0 3 225.719 3.379 20 0 BGADHN CCCC[C@@H](CC)CNCc1cc(C)on1 ZINC000044293708 322841166 /nfs/dbraw/zinc/84/11/66/322841166.db2.gz XOEZRTLBOWCOEW-GFCCVEGCSA-N 0 3 224.348 3.289 20 0 BGADHN CCCC[C@H](CC)CNCc1cc(C)on1 ZINC000044293711 322841153 /nfs/dbraw/zinc/84/11/53/322841153.db2.gz XOEZRTLBOWCOEW-LBPRGKRZSA-N 0 3 224.348 3.289 20 0 BGADHN Cc1cc(CNC2CCCCCCC2)no1 ZINC000044294728 640175977 /nfs/dbraw/zinc/17/59/77/640175977.db2.gz MBPYODNOJGMGTM-UHFFFAOYSA-N 0 3 222.332 3.186 20 0 BGADHN Cc1cc(CN[C@@H](C)CCc2ccccc2)on1 ZINC000044301089 178028785 /nfs/dbraw/zinc/02/87/85/178028785.db2.gz LLEKYLHGZAVZIP-LBPRGKRZSA-N 0 3 244.338 3.094 20 0 BGADHN Cc1cc(CN[C@H](C)CCc2ccccc2)on1 ZINC000044301091 178036555 /nfs/dbraw/zinc/03/65/55/178036555.db2.gz LLEKYLHGZAVZIP-GFCCVEGCSA-N 0 3 244.338 3.094 20 0 BGADHN Cc1cc(CN[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)no1 ZINC000044315395 178035845 /nfs/dbraw/zinc/03/58/45/178035845.db2.gz OIPUNRNUGOKGES-BFHYXJOUSA-N 0 3 248.370 3.432 20 0 BGADHN Cc1cc(CN[C@@H]2CC[C@H]3CCCC[C@@H]3C2)no1 ZINC000044315399 178035331 /nfs/dbraw/zinc/03/53/31/178035331.db2.gz OIPUNRNUGOKGES-MGPQQGTHSA-N 0 3 248.370 3.432 20 0 BGADHN Cc1cc(CN[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)on1 ZINC000044315403 345021929 /nfs/dbraw/zinc/02/19/29/345021929.db2.gz XKPFEPIOGDGVSK-BFHYXJOUSA-N 0 3 248.370 3.432 20 0 BGADHN Cc1cc(CN[C@@H]2CC[C@H]3CCCC[C@@H]3C2)on1 ZINC000044315406 345021847 /nfs/dbraw/zinc/02/18/47/345021847.db2.gz XKPFEPIOGDGVSK-MGPQQGTHSA-N 0 3 248.370 3.432 20 0 BGADHN COCCCCNc1cc(C)nc2ccccc21 ZINC000044349137 322841600 /nfs/dbraw/zinc/84/16/00/322841600.db2.gz XSKGSSMRCNSNJO-UHFFFAOYSA-N 0 3 244.338 3.382 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CN[C@@H]2CC2(C)C)o1 ZINC000044370678 387681118 /nfs/dbraw/zinc/68/11/18/387681118.db2.gz FMJNYJUOEPSWNI-SUZMYJTESA-N 0 3 219.328 3.291 20 0 BGADHN C[C@@H]1C[C@H]1c1ccc(CN[C@@H]2CC2(C)C)o1 ZINC000044370689 387679717 /nfs/dbraw/zinc/67/97/17/387679717.db2.gz FMJNYJUOEPSWNI-IRUJWGPZSA-N 0 3 219.328 3.291 20 0 BGADHN CC1(C)C[C@H]1NCc1ccc(Cl)s1 ZINC000044370841 387681029 /nfs/dbraw/zinc/68/10/29/387681029.db2.gz DJSMNWNJUBDATC-MRVPVSSYSA-N 0 3 215.749 3.290 20 0 BGADHN CC1(C)C[C@@H]1NCc1cc2ccccc2o1 ZINC000044370970 187394052 /nfs/dbraw/zinc/39/40/52/187394052.db2.gz MPMZFXRAMVAHPI-ZDUSSCGKSA-N 0 3 215.296 3.321 20 0 BGADHN CC1(C)C[C@H]1NCc1cc2ccccc2o1 ZINC000044370975 387680241 /nfs/dbraw/zinc/68/02/41/387680241.db2.gz MPMZFXRAMVAHPI-CYBMUJFWSA-N 0 3 215.296 3.321 20 0 BGADHN CC1(C)C[C@@H]1NCc1ccccc1Cl ZINC000044371663 358547831 /nfs/dbraw/zinc/54/78/31/358547831.db2.gz CZVJRGMCOUKVCI-NSHDSACASA-N 0 3 209.720 3.228 20 0 BGADHN CC1(C)C[C@H]1NCc1ccccc1Cl ZINC000044371668 358548051 /nfs/dbraw/zinc/54/80/51/358548051.db2.gz CZVJRGMCOUKVCI-LLVKDONJSA-N 0 3 209.720 3.228 20 0 BGADHN CC1(C)C[C@@H]1NCc1ccccc1OC(F)F ZINC000044371774 358548364 /nfs/dbraw/zinc/54/83/64/358548364.db2.gz DRBYXUUKKGMGKS-NSHDSACASA-N 0 3 241.281 3.176 20 0 BGADHN CC1(C)C[C@H]1NCc1ccccc1OC(F)F ZINC000044371779 358548017 /nfs/dbraw/zinc/54/80/17/358548017.db2.gz DRBYXUUKKGMGKS-LLVKDONJSA-N 0 3 241.281 3.176 20 0 BGADHN CC(C)Oc1ccccc1CN[C@@H]1CC1(C)C ZINC000044372234 167311363 /nfs/dbraw/zinc/31/13/63/167311363.db2.gz UHQNBEVVPUFSKK-CQSZACIVSA-N 0 3 233.355 3.362 20 0 BGADHN CC(C)Oc1ccccc1CN[C@H]1CC1(C)C ZINC000044372239 167311014 /nfs/dbraw/zinc/31/10/14/167311014.db2.gz UHQNBEVVPUFSKK-AWEZNQCLSA-N 0 3 233.355 3.362 20 0 BGADHN CC(C)CCOCCN[C@@H](C)c1ccccc1 ZINC000044387228 384655776 /nfs/dbraw/zinc/65/57/76/384655776.db2.gz ICLBNPLHHJFRGD-AWEZNQCLSA-N 0 3 235.371 3.400 20 0 BGADHN CC(C)CCOCCN[C@H](C)c1ccccc1 ZINC000044387231 384654604 /nfs/dbraw/zinc/65/46/04/384654604.db2.gz ICLBNPLHHJFRGD-CQSZACIVSA-N 0 3 235.371 3.400 20 0 BGADHN Cc1ccc(CNCCOCCC(C)C)cc1 ZINC000044387321 384654094 /nfs/dbraw/zinc/65/40/94/384654094.db2.gz OWRZLGABFPBWIB-UHFFFAOYSA-N 0 3 235.371 3.147 20 0 BGADHN CC(C)CCOCCN[C@@H](C)c1cccs1 ZINC000044387434 384330326 /nfs/dbraw/zinc/33/03/26/384330326.db2.gz SQOAKAGCKOYZRC-LBPRGKRZSA-N 0 3 241.400 3.461 20 0 BGADHN CC(C)CCOCCN[C@H](C)c1cccs1 ZINC000044387437 384331235 /nfs/dbraw/zinc/33/12/35/384331235.db2.gz SQOAKAGCKOYZRC-GFCCVEGCSA-N 0 3 241.400 3.461 20 0 BGADHN CC(C)CCOCCN[C@@H]1CCc2ccccc21 ZINC000044387473 384655716 /nfs/dbraw/zinc/65/57/16/384655716.db2.gz QZRVISXOAQMGHT-MRXNPFEDSA-N 0 3 247.382 3.326 20 0 BGADHN CC(C)CCOCCN[C@H]1CCc2ccccc21 ZINC000044387476 322841830 /nfs/dbraw/zinc/84/18/30/322841830.db2.gz QZRVISXOAQMGHT-INIZCTEOSA-N 0 3 247.382 3.326 20 0 BGADHN Cc1ccccc1CNCCOCCC(C)C ZINC000044387485 322841807 /nfs/dbraw/zinc/84/18/07/322841807.db2.gz OVEGAISYWDDRNB-UHFFFAOYSA-N 0 3 235.371 3.147 20 0 BGADHN Cc1cccc(CNCCOCCC(C)C)c1 ZINC000044387488 322841825 /nfs/dbraw/zinc/84/18/25/322841825.db2.gz BOUYCTULEOGOLV-UHFFFAOYSA-N 0 3 235.371 3.147 20 0 BGADHN Cc1ccc([C@@H](C)NCCOCCC(C)C)o1 ZINC000044387538 387679272 /nfs/dbraw/zinc/67/92/72/387679272.db2.gz IUZXRPMZELTHTJ-CYBMUJFWSA-N 0 3 239.359 3.301 20 0 BGADHN Cc1ccc([C@H](C)NCCOCCC(C)C)o1 ZINC000044387541 188085696 /nfs/dbraw/zinc/08/56/96/188085696.db2.gz IUZXRPMZELTHTJ-ZDUSSCGKSA-N 0 3 239.359 3.301 20 0 BGADHN Cc1ccc(COc2ccccc2CN)cc1C ZINC000044390445 358407876 /nfs/dbraw/zinc/40/78/76/358407876.db2.gz QKWDVFGRXABQBB-UHFFFAOYSA-N 0 3 241.334 3.341 20 0 BGADHN CCCC1CCC(NCc2cc(C)on2)CC1 ZINC000044412167 358548721 /nfs/dbraw/zinc/54/87/21/358548721.db2.gz ZVSIJLGWKSWARY-UHFFFAOYSA-N 0 3 236.359 3.432 20 0 BGADHN COC[C@H](C)CNc1cc(C)nc2ccccc21 ZINC000044477234 384652655 /nfs/dbraw/zinc/65/26/55/384652655.db2.gz VVWQZADMKRCAAW-LLVKDONJSA-N 0 3 244.338 3.238 20 0 BGADHN COC[C@@H](C)CNc1cc(C)nc2ccccc21 ZINC000044477237 384652772 /nfs/dbraw/zinc/65/27/72/384652772.db2.gz VVWQZADMKRCAAW-NSHDSACASA-N 0 3 244.338 3.238 20 0 BGADHN C[C@H](NC1CCC1)c1cc(F)ccc1F ZINC000044480765 385209103 /nfs/dbraw/zinc/20/91/03/385209103.db2.gz QCVPZRUAIGUQBX-QMMMGPOBSA-N 0 3 211.255 3.168 20 0 BGADHN C[C@@H](NC1CCC1)c1cc(F)ccc1F ZINC000044480768 385207561 /nfs/dbraw/zinc/20/75/61/385207561.db2.gz QCVPZRUAIGUQBX-MRVPVSSYSA-N 0 3 211.255 3.168 20 0 BGADHN C[C@H](NC1CCC1)c1ccc(F)cc1F ZINC000044480873 385208557 /nfs/dbraw/zinc/20/85/57/385208557.db2.gz GUZYSJPRXOQKGA-QMMMGPOBSA-N 0 3 211.255 3.168 20 0 BGADHN C[C@@H](NC1CCC1)c1ccc(F)cc1F ZINC000044480875 385208828 /nfs/dbraw/zinc/20/88/28/385208828.db2.gz GUZYSJPRXOQKGA-MRVPVSSYSA-N 0 3 211.255 3.168 20 0 BGADHN COc1ccc(C)cc1[C@@H](C)NC1CCC1 ZINC000044480962 175079521 /nfs/dbraw/zinc/07/95/21/175079521.db2.gz NNUJDHZCDUYJEE-LLVKDONJSA-N 0 3 219.328 3.207 20 0 BGADHN COc1ccc(C)cc1[C@H](C)NC1CCC1 ZINC000044480964 175080908 /nfs/dbraw/zinc/08/09/08/175080908.db2.gz NNUJDHZCDUYJEE-NSHDSACASA-N 0 3 219.328 3.207 20 0 BGADHN C[C@H](NC1CCC1)c1ccccc1OC(F)F ZINC000044481425 387682274 /nfs/dbraw/zinc/68/22/74/387682274.db2.gz KJTDVOSLUFJTAS-VIFPVBQESA-N 0 3 241.281 3.491 20 0 BGADHN C[C@@H](NC1CCC1)c1ccccc1OC(F)F ZINC000044481427 387682148 /nfs/dbraw/zinc/68/21/48/387682148.db2.gz KJTDVOSLUFJTAS-SECBINFHSA-N 0 3 241.281 3.491 20 0 BGADHN Brc1ccccc1CNC1CCC1 ZINC000044481917 166102688 /nfs/dbraw/zinc/10/26/88/166102688.db2.gz MHZHMYRJAVQNEJ-UHFFFAOYSA-N 0 3 240.144 3.091 20 0 BGADHN CCn1cc([C@@H](C)N[C@@H](C)c2ccccc2)cn1 ZINC000044494229 172194986 /nfs/dbraw/zinc/19/49/86/172194986.db2.gz BGTRJBHWSLFXBG-QWHCGFSZSA-N 0 3 243.354 3.315 20 0 BGADHN CCn1cc([C@H](C)N[C@@H](C)c2ccccc2)cn1 ZINC000044494230 172197464 /nfs/dbraw/zinc/19/74/64/172197464.db2.gz BGTRJBHWSLFXBG-STQMWFEESA-N 0 3 243.354 3.315 20 0 BGADHN CCn1cc([C@@H](C)N[C@H](C)c2ccccc2)cn1 ZINC000044494231 172195151 /nfs/dbraw/zinc/19/51/51/172195151.db2.gz BGTRJBHWSLFXBG-CHWSQXEVSA-N 0 3 243.354 3.315 20 0 BGADHN CCn1cc([C@H](C)N[C@H](C)c2ccccc2)cn1 ZINC000044494232 172197406 /nfs/dbraw/zinc/19/74/06/172197406.db2.gz BGTRJBHWSLFXBG-OLZOCXBDSA-N 0 3 243.354 3.315 20 0 BGADHN CCn1cc([C@@H](C)NCc2ccc(C)cc2)cn1 ZINC000044494791 172194261 /nfs/dbraw/zinc/19/42/61/172194261.db2.gz OWCLJAVRZBLYBZ-CYBMUJFWSA-N 0 3 243.354 3.062 20 0 BGADHN CCn1cc([C@H](C)NCc2ccc(C)cc2)cn1 ZINC000044494792 172197502 /nfs/dbraw/zinc/19/75/02/172197502.db2.gz OWCLJAVRZBLYBZ-ZDUSSCGKSA-N 0 3 243.354 3.062 20 0 BGADHN Cc1ccccc1[C@@H](C)N[C@@H](C)c1cnn(C)c1 ZINC000044495073 179320994 /nfs/dbraw/zinc/32/09/94/179320994.db2.gz ZDYMBQHYZZQYSG-QWHCGFSZSA-N 0 3 243.354 3.140 20 0 BGADHN Cc1ccccc1[C@H](C)N[C@@H](C)c1cnn(C)c1 ZINC000044495074 179339824 /nfs/dbraw/zinc/33/98/24/179339824.db2.gz ZDYMBQHYZZQYSG-STQMWFEESA-N 0 3 243.354 3.140 20 0 BGADHN Cc1ccccc1[C@@H](C)N[C@H](C)c1cnn(C)c1 ZINC000044495075 179323451 /nfs/dbraw/zinc/32/34/51/179323451.db2.gz ZDYMBQHYZZQYSG-CHWSQXEVSA-N 0 3 243.354 3.140 20 0 BGADHN Cc1ccccc1[C@H](C)N[C@H](C)c1cnn(C)c1 ZINC000044495076 179339580 /nfs/dbraw/zinc/33/95/80/179339580.db2.gz ZDYMBQHYZZQYSG-OLZOCXBDSA-N 0 3 243.354 3.140 20 0 BGADHN CCn1cc([C@@H](C)NCc2cccc(C)c2)cn1 ZINC000044495224 172194561 /nfs/dbraw/zinc/19/45/61/172194561.db2.gz YHDPHWHMDYAXRP-CYBMUJFWSA-N 0 3 243.354 3.062 20 0 BGADHN CCn1cc([C@H](C)NCc2cccc(C)c2)cn1 ZINC000044495225 172197757 /nfs/dbraw/zinc/19/77/57/172197757.db2.gz YHDPHWHMDYAXRP-ZDUSSCGKSA-N 0 3 243.354 3.062 20 0 BGADHN CCn1cc([C@@H](C)N[C@@H](C)c2cccs2)cn1 ZINC000044495396 172193868 /nfs/dbraw/zinc/19/38/68/172193868.db2.gz ZLECUCZUQBOEAY-MNOVXSKESA-N 0 3 249.383 3.376 20 0 BGADHN CCn1cc([C@H](C)N[C@@H](C)c2cccs2)cn1 ZINC000044495397 172197955 /nfs/dbraw/zinc/19/79/55/172197955.db2.gz ZLECUCZUQBOEAY-QWRGUYRKSA-N 0 3 249.383 3.376 20 0 BGADHN CCn1cc([C@@H](C)N[C@H](C)c2cccs2)cn1 ZINC000044495398 172194481 /nfs/dbraw/zinc/19/44/81/172194481.db2.gz ZLECUCZUQBOEAY-GHMZBOCLSA-N 0 3 249.383 3.376 20 0 BGADHN CCn1cc([C@H](C)N[C@H](C)c2cccs2)cn1 ZINC000044495399 172197853 /nfs/dbraw/zinc/19/78/53/172197853.db2.gz ZLECUCZUQBOEAY-WDEREUQCSA-N 0 3 249.383 3.376 20 0 BGADHN CCn1cc([C@@H](C)NCc2ccccc2C)cn1 ZINC000044498963 172195018 /nfs/dbraw/zinc/19/50/18/172195018.db2.gz LBLCBQACQVQQBS-CYBMUJFWSA-N 0 3 243.354 3.062 20 0 BGADHN CCn1cc([C@H](C)NCc2ccccc2C)cn1 ZINC000044498965 172197927 /nfs/dbraw/zinc/19/79/27/172197927.db2.gz LBLCBQACQVQQBS-ZDUSSCGKSA-N 0 3 243.354 3.062 20 0 BGADHN Cc1ccc([C@@H](C)N[C@@H](C)c2cnn(C)c2)cc1 ZINC000044499149 384337816 /nfs/dbraw/zinc/33/78/16/384337816.db2.gz KPXMOVSJMFOUJO-OLZOCXBDSA-N 0 3 243.354 3.140 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H](C)c2cnn(C)c2)cc1 ZINC000044499151 384339290 /nfs/dbraw/zinc/33/92/90/384339290.db2.gz KPXMOVSJMFOUJO-STQMWFEESA-N 0 3 243.354 3.140 20 0 BGADHN Cc1ccc([C@@H](C)N[C@H](C)c2cnn(C)c2)cc1 ZINC000044499153 384339443 /nfs/dbraw/zinc/33/94/43/384339443.db2.gz KPXMOVSJMFOUJO-CHWSQXEVSA-N 0 3 243.354 3.140 20 0 BGADHN Cc1ccc([C@H](C)N[C@H](C)c2cnn(C)c2)cc1 ZINC000044499155 178898130 /nfs/dbraw/zinc/89/81/30/178898130.db2.gz KPXMOVSJMFOUJO-QWHCGFSZSA-N 0 3 243.354 3.140 20 0 BGADHN Cc1ccc([C@@H](C)N[C@@H](C)c2cnn(C)c2)s1 ZINC000044500452 178848359 /nfs/dbraw/zinc/84/83/59/178848359.db2.gz FVYQVAIMYFRUMC-WDEREUQCSA-N 0 3 249.383 3.202 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H](C)c2cnn(C)c2)s1 ZINC000044500454 178895758 /nfs/dbraw/zinc/89/57/58/178895758.db2.gz FVYQVAIMYFRUMC-QWRGUYRKSA-N 0 3 249.383 3.202 20 0 BGADHN Cc1ccc([C@@H](C)N[C@H](C)c2cnn(C)c2)s1 ZINC000044500456 387687088 /nfs/dbraw/zinc/68/70/88/387687088.db2.gz FVYQVAIMYFRUMC-GHMZBOCLSA-N 0 3 249.383 3.202 20 0 BGADHN Cc1ccc([C@H](C)N[C@H](C)c2cnn(C)c2)s1 ZINC000044500458 387685133 /nfs/dbraw/zinc/68/51/33/387685133.db2.gz FVYQVAIMYFRUMC-MNOVXSKESA-N 0 3 249.383 3.202 20 0 BGADHN CC[C@H](N[C@@H](C)c1cnn(C)c1)c1cccs1 ZINC000044500548 358550351 /nfs/dbraw/zinc/55/03/51/358550351.db2.gz SUPMAKCRHYFNAY-JQWIXIFHSA-N 0 3 249.383 3.284 20 0 BGADHN CC[C@@H](N[C@@H](C)c1cnn(C)c1)c1cccs1 ZINC000044500550 170908498 /nfs/dbraw/zinc/90/84/98/170908498.db2.gz SUPMAKCRHYFNAY-CMPLNLGQSA-N 0 3 249.383 3.284 20 0 BGADHN CC[C@H](N[C@H](C)c1cnn(C)c1)c1cccs1 ZINC000044500552 358550142 /nfs/dbraw/zinc/55/01/42/358550142.db2.gz SUPMAKCRHYFNAY-PWSUYJOCSA-N 0 3 249.383 3.284 20 0 BGADHN CC[C@@H](N[C@H](C)c1cnn(C)c1)c1cccs1 ZINC000044500554 358550633 /nfs/dbraw/zinc/55/06/33/358550633.db2.gz SUPMAKCRHYFNAY-ZYHUDNBSSA-N 0 3 249.383 3.284 20 0 BGADHN CCCN[C@@H](COC)c1cccc(Cl)c1 ZINC000044569090 169279521 /nfs/dbraw/zinc/27/95/21/169279521.db2.gz LRXIRJLCLDQDLZ-LBPRGKRZSA-N 0 3 227.735 3.027 20 0 BGADHN CCCN[C@H](COC)c1cccc(Cl)c1 ZINC000044569093 169288879 /nfs/dbraw/zinc/28/88/79/169288879.db2.gz LRXIRJLCLDQDLZ-GFCCVEGCSA-N 0 3 227.735 3.027 20 0 BGADHN Fc1ccc(CNC[C@H]2CC=CCC2)c(F)c1 ZINC000044583607 322842553 /nfs/dbraw/zinc/84/25/53/322842553.db2.gz AZHIGGJZFBYQEV-NSHDSACASA-N 0 3 237.293 3.411 20 0 BGADHN Fc1ccc(CNC[C@@H]2CC=CCC2)c(F)c1 ZINC000044583609 384658624 /nfs/dbraw/zinc/65/86/24/384658624.db2.gz AZHIGGJZFBYQEV-LLVKDONJSA-N 0 3 237.293 3.411 20 0 BGADHN Fc1cccc(F)c1CNC[C@H]1CC=CCC1 ZINC000044583639 181000142 /nfs/dbraw/zinc/00/01/42/181000142.db2.gz MJTYOARQLIAJJG-NSHDSACASA-N 0 3 237.293 3.411 20 0 BGADHN COCCCCN[C@@H](C)c1ccccc1Cl ZINC000044655430 174202291 /nfs/dbraw/zinc/20/22/91/174202291.db2.gz AXRZTXOGGSWHAE-NSHDSACASA-N 0 3 241.762 3.417 20 0 BGADHN COCCCCN[C@H](C)c1ccccc1Cl ZINC000044655433 174203905 /nfs/dbraw/zinc/20/39/05/174203905.db2.gz AXRZTXOGGSWHAE-LLVKDONJSA-N 0 3 241.762 3.417 20 0 BGADHN COCCCCN[C@@H](C)c1c(F)cccc1F ZINC000044655482 174202472 /nfs/dbraw/zinc/20/24/72/174202472.db2.gz FVWPOLRYYPHESY-JTQLQIEISA-N 0 3 243.297 3.042 20 0 BGADHN COCCCCN[C@H](C)c1c(F)cccc1F ZINC000044655485 174203541 /nfs/dbraw/zinc/20/35/41/174203541.db2.gz FVWPOLRYYPHESY-SNVBAGLBSA-N 0 3 243.297 3.042 20 0 BGADHN COCCCCN[C@@H](C)c1ccc(F)cc1F ZINC000044655935 174201895 /nfs/dbraw/zinc/20/18/95/174201895.db2.gz BFIRYNLEXAYVPU-JTQLQIEISA-N 0 3 243.297 3.042 20 0 BGADHN COCCCCN[C@H](C)c1ccc(F)cc1F ZINC000044655938 174203460 /nfs/dbraw/zinc/20/34/60/174203460.db2.gz BFIRYNLEXAYVPU-SNVBAGLBSA-N 0 3 243.297 3.042 20 0 BGADHN COCCCCN[C@@H](C)c1cc(F)ccc1F ZINC000044656085 174202360 /nfs/dbraw/zinc/20/23/60/174202360.db2.gz NHORUWIXPUFVRV-JTQLQIEISA-N 0 3 243.297 3.042 20 0 BGADHN COCCCCN[C@H](C)c1cc(F)ccc1F ZINC000044656089 174203798 /nfs/dbraw/zinc/20/37/98/174203798.db2.gz NHORUWIXPUFVRV-SNVBAGLBSA-N 0 3 243.297 3.042 20 0 BGADHN COCCCCNc1ccnc2ccccc21 ZINC000044659296 174205436 /nfs/dbraw/zinc/20/54/36/174205436.db2.gz OICYQELLDAFCCU-UHFFFAOYSA-N 0 3 230.311 3.073 20 0 BGADHN C[C@H](N[C@@H]1C[C@@H]1c1ccccc1)c1ccccn1 ZINC000044674020 343511604 /nfs/dbraw/zinc/51/16/04/343511604.db2.gz VZJCESGYTDERAT-JGGQBBKZSA-N 0 3 238.334 3.288 20 0 BGADHN C[C@@H](N[C@@H]1C[C@@H]1c1ccccc1)c1ccccn1 ZINC000044674022 487597921 /nfs/dbraw/zinc/59/79/21/487597921.db2.gz VZJCESGYTDERAT-XNRPHZJLSA-N 0 3 238.334 3.288 20 0 BGADHN C[C@H](N[C@@H]1C[C@@H]1c1ccccc1)c1cccnc1 ZINC000044674037 343511666 /nfs/dbraw/zinc/51/16/66/343511666.db2.gz JIJJAINHAGTAOW-APHBMKBZSA-N 0 3 238.334 3.288 20 0 BGADHN C[C@@H](N[C@@H]1C[C@@H]1c1ccccc1)c1cccnc1 ZINC000044674040 487597791 /nfs/dbraw/zinc/59/77/91/487597791.db2.gz JIJJAINHAGTAOW-DAXOMENPSA-N 0 3 238.334 3.288 20 0 BGADHN CCOC[C@@H](C)NCc1ccc(C(C)(C)C)cc1 ZINC000044688092 384658264 /nfs/dbraw/zinc/65/82/64/384658264.db2.gz ZQGYUGHOVVOLLR-CYBMUJFWSA-N 0 3 249.398 3.499 20 0 BGADHN CCOC[C@H](C)NCc1ccc(C(C)(C)C)cc1 ZINC000044688093 322843198 /nfs/dbraw/zinc/84/31/98/322843198.db2.gz ZQGYUGHOVVOLLR-ZDUSSCGKSA-N 0 3 249.398 3.499 20 0 BGADHN CCOC[C@@H](C)NCc1ccc2ccccc2c1 ZINC000044688095 387689948 /nfs/dbraw/zinc/68/99/48/387689948.db2.gz QNTMMVQITHSRQU-CYBMUJFWSA-N 0 3 243.350 3.354 20 0 BGADHN CCOC[C@H](C)NCc1ccc2ccccc2c1 ZINC000044688097 170445967 /nfs/dbraw/zinc/44/59/67/170445967.db2.gz QNTMMVQITHSRQU-ZDUSSCGKSA-N 0 3 243.350 3.354 20 0 BGADHN CCOC[C@@H](C)NCc1ccc(C(C)C)cc1 ZINC000044688496 322843100 /nfs/dbraw/zinc/84/31/00/322843100.db2.gz IOKPIXUPRSNNKD-CYBMUJFWSA-N 0 3 235.371 3.325 20 0 BGADHN CCOC[C@H](C)NCc1ccc(C(C)C)cc1 ZINC000044688499 384662528 /nfs/dbraw/zinc/66/25/28/384662528.db2.gz IOKPIXUPRSNNKD-ZDUSSCGKSA-N 0 3 235.371 3.325 20 0 BGADHN CCOC[C@@H](C)N[C@@H](C)c1ccc(Cl)cc1 ZINC000044688627 386726285 /nfs/dbraw/zinc/72/62/85/386726285.db2.gz XFMOOHYOYVMMHC-MNOVXSKESA-N 0 3 241.762 3.416 20 0 BGADHN CCOC[C@H](C)N[C@@H](C)c1ccc(Cl)cc1 ZINC000044688629 386727712 /nfs/dbraw/zinc/72/77/12/386727712.db2.gz XFMOOHYOYVMMHC-QWRGUYRKSA-N 0 3 241.762 3.416 20 0 BGADHN CCOC[C@@H](C)N[C@H](C)c1ccc(Cl)cc1 ZINC000044688631 386727532 /nfs/dbraw/zinc/72/75/32/386727532.db2.gz XFMOOHYOYVMMHC-GHMZBOCLSA-N 0 3 241.762 3.416 20 0 BGADHN CCOC[C@H](C)N[C@H](C)c1ccc(Cl)cc1 ZINC000044688634 386728746 /nfs/dbraw/zinc/72/87/46/386728746.db2.gz XFMOOHYOYVMMHC-WDEREUQCSA-N 0 3 241.762 3.416 20 0 BGADHN CCOC[C@@H](C)N[C@@H](C)c1ccccc1Cl ZINC000044688637 387688348 /nfs/dbraw/zinc/68/83/48/387688348.db2.gz UFWJYYVRCUZHJW-MNOVXSKESA-N 0 3 241.762 3.416 20 0 BGADHN CCOC[C@H](C)N[C@@H](C)c1ccccc1Cl ZINC000044688640 387688571 /nfs/dbraw/zinc/68/85/71/387688571.db2.gz UFWJYYVRCUZHJW-QWRGUYRKSA-N 0 3 241.762 3.416 20 0 BGADHN CCOC[C@@H](C)N[C@H](C)c1ccccc1Cl ZINC000044688643 387688491 /nfs/dbraw/zinc/68/84/91/387688491.db2.gz UFWJYYVRCUZHJW-GHMZBOCLSA-N 0 3 241.762 3.416 20 0 BGADHN CCOC[C@H](C)N[C@H](C)c1ccccc1Cl ZINC000044688645 387690458 /nfs/dbraw/zinc/69/04/58/387690458.db2.gz UFWJYYVRCUZHJW-WDEREUQCSA-N 0 3 241.762 3.416 20 0 BGADHN CCOC[C@H](C)N[C@@H](CC)c1ccc(F)cc1 ZINC000044688921 384660977 /nfs/dbraw/zinc/66/09/77/384660977.db2.gz OSGZKHRCBGTNFM-FZMZJTMJSA-N 0 3 239.334 3.291 20 0 BGADHN CCOC[C@H](C)N[C@H](CC)c1ccc(F)cc1 ZINC000044688924 322843141 /nfs/dbraw/zinc/84/31/41/322843141.db2.gz OSGZKHRCBGTNFM-SMDDNHRTSA-N 0 3 239.334 3.291 20 0 BGADHN CCOC[C@@H](C)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000044689226 387690355 /nfs/dbraw/zinc/69/03/55/387690355.db2.gz XTSYGYDBHYSYJP-ZJUUUORDSA-N 0 3 243.297 3.040 20 0 BGADHN CCOC[C@H](C)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000044689227 387688258 /nfs/dbraw/zinc/68/82/58/387688258.db2.gz XTSYGYDBHYSYJP-UWVGGRQHSA-N 0 3 243.297 3.040 20 0 BGADHN CCOC[C@@H](C)N[C@H](C)c1ccc(F)c(F)c1 ZINC000044689229 387688412 /nfs/dbraw/zinc/68/84/12/387688412.db2.gz XTSYGYDBHYSYJP-NXEZZACHSA-N 0 3 243.297 3.040 20 0 BGADHN CCOC[C@H](C)N[C@H](C)c1ccc(F)c(F)c1 ZINC000044689230 387689539 /nfs/dbraw/zinc/68/95/39/387689539.db2.gz XTSYGYDBHYSYJP-VHSXEESVSA-N 0 3 243.297 3.040 20 0 BGADHN CCOC[C@@H](C)N[C@@H](C)c1ccc(F)cc1F ZINC000044689235 386728718 /nfs/dbraw/zinc/72/87/18/386728718.db2.gz ZEUWQTWWPCISNJ-ZJUUUORDSA-N 0 3 243.297 3.040 20 0 BGADHN CCOC[C@H](C)N[C@@H](C)c1ccc(F)cc1F ZINC000044689236 386729108 /nfs/dbraw/zinc/72/91/08/386729108.db2.gz ZEUWQTWWPCISNJ-UWVGGRQHSA-N 0 3 243.297 3.040 20 0 BGADHN CCOC[C@@H](C)N[C@H](C)c1ccc(F)cc1F ZINC000044689238 386726099 /nfs/dbraw/zinc/72/60/99/386726099.db2.gz ZEUWQTWWPCISNJ-NXEZZACHSA-N 0 3 243.297 3.040 20 0 BGADHN CCOC[C@H](C)N[C@H](C)c1ccc(F)cc1F ZINC000044689240 386728949 /nfs/dbraw/zinc/72/89/49/386728949.db2.gz ZEUWQTWWPCISNJ-VHSXEESVSA-N 0 3 243.297 3.040 20 0 BGADHN CCOC[C@@H](C)N[C@@H](C)c1cccc(Cl)c1 ZINC000044689505 386727547 /nfs/dbraw/zinc/72/75/47/386727547.db2.gz CCFQRCXQQLGKJL-MNOVXSKESA-N 0 3 241.762 3.416 20 0 BGADHN CCOC[C@H](C)N[C@@H](C)c1cccc(Cl)c1 ZINC000044689506 386726626 /nfs/dbraw/zinc/72/66/26/386726626.db2.gz CCFQRCXQQLGKJL-QWRGUYRKSA-N 0 3 241.762 3.416 20 0 BGADHN CCOC[C@@H](C)N[C@H](C)c1cccc(Cl)c1 ZINC000044689508 386726674 /nfs/dbraw/zinc/72/66/74/386726674.db2.gz CCFQRCXQQLGKJL-GHMZBOCLSA-N 0 3 241.762 3.416 20 0 BGADHN CCOC[C@H](C)N[C@H](C)c1cccc(Cl)c1 ZINC000044689510 386726967 /nfs/dbraw/zinc/72/69/67/386726967.db2.gz CCFQRCXQQLGKJL-WDEREUQCSA-N 0 3 241.762 3.416 20 0 BGADHN CCOC[C@@H](C)N[C@@H](C)c1cc(C)sc1C ZINC000044690498 386727779 /nfs/dbraw/zinc/72/77/79/386727779.db2.gz IOZKJDSVAMJGEF-KOLCDFICSA-N 0 3 241.400 3.441 20 0 BGADHN CCOC[C@H](C)N[C@@H](C)c1cc(C)sc1C ZINC000044690500 386728441 /nfs/dbraw/zinc/72/84/41/386728441.db2.gz IOZKJDSVAMJGEF-ONGXEEELSA-N 0 3 241.400 3.441 20 0 BGADHN CCOC[C@@H](C)N[C@H](C)c1cc(C)sc1C ZINC000044690501 386728790 /nfs/dbraw/zinc/72/87/90/386728790.db2.gz IOZKJDSVAMJGEF-MWLCHTKSSA-N 0 3 241.400 3.441 20 0 BGADHN CCOC[C@H](C)N[C@H](C)c1cc(C)sc1C ZINC000044690503 386728584 /nfs/dbraw/zinc/72/85/84/386728584.db2.gz IOZKJDSVAMJGEF-GXSJLCMTSA-N 0 3 241.400 3.441 20 0 BGADHN CCOC[C@@H](C)N[C@@H](C)c1ccc(Cl)s1 ZINC000044690823 385218775 /nfs/dbraw/zinc/21/87/75/385218775.db2.gz IXNVJISCBPZANW-BDAKNGLRSA-N 0 3 247.791 3.477 20 0 BGADHN CCOC[C@H](C)N[C@@H](C)c1ccc(Cl)s1 ZINC000044690825 385218356 /nfs/dbraw/zinc/21/83/56/385218356.db2.gz IXNVJISCBPZANW-IUCAKERBSA-N 0 3 247.791 3.477 20 0 BGADHN CCOC[C@@H](C)N[C@H](C)c1ccc(Cl)s1 ZINC000044690827 385217457 /nfs/dbraw/zinc/21/74/57/385217457.db2.gz IXNVJISCBPZANW-RKDXNWHRSA-N 0 3 247.791 3.477 20 0 BGADHN CCOC[C@H](C)N[C@H](C)c1ccc(Cl)s1 ZINC000044690828 170447812 /nfs/dbraw/zinc/44/78/12/170447812.db2.gz IXNVJISCBPZANW-DTWKUNHWSA-N 0 3 247.791 3.477 20 0 BGADHN CCOC[C@H](C)N[C@H](C)c1ccc(CC)s1 ZINC000044691967 387692508 /nfs/dbraw/zinc/69/25/08/387692508.db2.gz QMFWSBLAABNBHX-WDEREUQCSA-N 0 3 241.400 3.386 20 0 BGADHN CCOC[C@H](C)N[C@@H](C)c1ccc(CC)s1 ZINC000044691969 387691881 /nfs/dbraw/zinc/69/18/81/387691881.db2.gz QMFWSBLAABNBHX-QWRGUYRKSA-N 0 3 241.400 3.386 20 0 BGADHN CCOC[C@@H](C)N[C@H](C)c1ccc(CC)s1 ZINC000044691971 387692103 /nfs/dbraw/zinc/69/21/03/387692103.db2.gz QMFWSBLAABNBHX-GHMZBOCLSA-N 0 3 241.400 3.386 20 0 BGADHN CCOC[C@@H](C)N[C@@H](C)c1ccc(CC)s1 ZINC000044691973 387693266 /nfs/dbraw/zinc/69/32/66/387693266.db2.gz QMFWSBLAABNBHX-MNOVXSKESA-N 0 3 241.400 3.386 20 0 BGADHN CCC1CCC(NCc2cc(C)on2)CC1 ZINC000044692186 358551840 /nfs/dbraw/zinc/55/18/40/358551840.db2.gz XZUVHGFPWSKGGY-UHFFFAOYSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1cc(CN[C@@H]2C[C@H](C)CC(C)(C)C2)no1 ZINC000044692435 411139462 /nfs/dbraw/zinc/13/94/62/411139462.db2.gz LCABIDMINBJXDF-CMPLNLGQSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1cc(CN[C@H]2C[C@H](C)CC(C)(C)C2)no1 ZINC000044692436 411139338 /nfs/dbraw/zinc/13/93/38/411139338.db2.gz LCABIDMINBJXDF-JQWIXIFHSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1cc(CN[C@@H]2C[C@@H](C)CC(C)(C)C2)no1 ZINC000044692438 411139458 /nfs/dbraw/zinc/13/94/58/411139458.db2.gz LCABIDMINBJXDF-ZYHUDNBSSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1cc(CN[C@H]2C[C@@H](C)CC(C)(C)C2)no1 ZINC000044692439 411139471 /nfs/dbraw/zinc/13/94/71/411139471.db2.gz LCABIDMINBJXDF-PWSUYJOCSA-N 0 3 236.359 3.287 20 0 BGADHN CCCC(CCC)NCc1cc(C)on1 ZINC000044692441 358392397 /nfs/dbraw/zinc/39/23/97/358392397.db2.gz WQPRTQKGTVPMBW-UHFFFAOYSA-N 0 3 210.321 3.041 20 0 BGADHN CC[C@@H](C)C[C@@H](CC)NCc1cc(C)on1 ZINC000044692449 358392405 /nfs/dbraw/zinc/39/24/05/358392405.db2.gz GBCHHWFLANQHBM-ZYHUDNBSSA-N 0 3 224.348 3.287 20 0 BGADHN CC[C@H](C[C@@H](C)CC)NCc1cc(C)on1 ZINC000044692451 358392288 /nfs/dbraw/zinc/39/22/88/358392288.db2.gz GBCHHWFLANQHBM-CMPLNLGQSA-N 0 3 224.348 3.287 20 0 BGADHN CC[C@@H](C)C[C@H](CC)NCc1cc(C)on1 ZINC000044692453 358392650 /nfs/dbraw/zinc/39/26/50/358392650.db2.gz GBCHHWFLANQHBM-PWSUYJOCSA-N 0 3 224.348 3.287 20 0 BGADHN CC[C@H](C)C[C@H](CC)NCc1cc(C)on1 ZINC000044692454 358392609 /nfs/dbraw/zinc/39/26/09/358392609.db2.gz GBCHHWFLANQHBM-JQWIXIFHSA-N 0 3 224.348 3.287 20 0 BGADHN Cc1cc(CN[C@@H](C)C2CCCCC2)no1 ZINC000044692937 178029154 /nfs/dbraw/zinc/02/91/54/178029154.db2.gz MBVPPTPPEUEKMM-NSHDSACASA-N 0 3 222.332 3.041 20 0 BGADHN Cc1cc(CN[C@H](C)C2CCCCC2)no1 ZINC000044692939 178037501 /nfs/dbraw/zinc/03/75/01/178037501.db2.gz MBVPPTPPEUEKMM-LLVKDONJSA-N 0 3 222.332 3.041 20 0 BGADHN CCOC[C@H](C)Nc1ccnc2ccccc21 ZINC000044725916 384661575 /nfs/dbraw/zinc/66/15/75/384661575.db2.gz GQXKUBCCPCFUNL-NSHDSACASA-N 0 3 230.311 3.072 20 0 BGADHN Cc1cc(CNc2ccnc3ccccc32)no1 ZINC000044726154 384662705 /nfs/dbraw/zinc/66/27/05/384662705.db2.gz ZBJMUENUSKBXJB-UHFFFAOYSA-N 0 3 239.278 3.143 20 0 BGADHN Cc1cc([C@@H](C)N[C@@H]2CCSC2)c(C)o1 ZINC000044729298 178230774 /nfs/dbraw/zinc/23/07/74/178230774.db2.gz TZKHGRXTSHKHQL-MWLCHTKSSA-N 0 3 225.357 3.053 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CCSC2)c(C)o1 ZINC000044729299 178256099 /nfs/dbraw/zinc/25/60/99/178256099.db2.gz TZKHGRXTSHKHQL-GXSJLCMTSA-N 0 3 225.357 3.053 20 0 BGADHN Cc1cc([C@@H](C)N[C@H]2CCSC2)c(C)o1 ZINC000044729300 178233342 /nfs/dbraw/zinc/23/33/42/178233342.db2.gz TZKHGRXTSHKHQL-KOLCDFICSA-N 0 3 225.357 3.053 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2CCSC2)c(C)o1 ZINC000044729301 178258642 /nfs/dbraw/zinc/25/86/42/178258642.db2.gz TZKHGRXTSHKHQL-ONGXEEELSA-N 0 3 225.357 3.053 20 0 BGADHN CSCCCN[C@H](C)c1cc(C)oc1C ZINC000044729552 385225496 /nfs/dbraw/zinc/22/54/96/385225496.db2.gz YFNMOKJOPRPWPH-SNVBAGLBSA-N 0 3 227.373 3.300 20 0 BGADHN CSCCCN[C@@H](C)c1cc(C)oc1C ZINC000044729553 385225123 /nfs/dbraw/zinc/22/51/23/385225123.db2.gz YFNMOKJOPRPWPH-JTQLQIEISA-N 0 3 227.373 3.300 20 0 BGADHN COCCN1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000044896215 174306763 /nfs/dbraw/zinc/30/67/63/174306763.db2.gz MAXSQBXGJSJJNX-CYBMUJFWSA-N 0 3 239.746 3.123 20 0 BGADHN COCCN1CCC[C@H]1c1ccc(Cl)cc1 ZINC000044896217 174308441 /nfs/dbraw/zinc/30/84/41/174308441.db2.gz MAXSQBXGJSJJNX-ZDUSSCGKSA-N 0 3 239.746 3.123 20 0 BGADHN Cc1noc(C)c1CN(CCC(C)C)C1CC1 ZINC000044898460 342752384 /nfs/dbraw/zinc/75/23/84/342752384.db2.gz AUCUCZKRJOSBNF-UHFFFAOYSA-N 0 3 236.359 3.302 20 0 BGADHN CCCCCC[C@@H](C)NCc1cc(C)no1 ZINC000044985280 640479732 /nfs/dbraw/zinc/47/97/32/640479732.db2.gz CDDWSHGUMXCBLK-LLVKDONJSA-N 0 3 224.348 3.432 20 0 BGADHN CCCCCC[C@H](C)NCc1cc(C)no1 ZINC000044985283 640479201 /nfs/dbraw/zinc/47/92/01/640479201.db2.gz CDDWSHGUMXCBLK-NSHDSACASA-N 0 3 224.348 3.432 20 0 BGADHN CC[C@@H](C)C[C@@H](CC)NCc1cc(C)no1 ZINC000044985296 490188605 /nfs/dbraw/zinc/18/86/05/490188605.db2.gz HFHKYOOEMNRBQF-ZYHUDNBSSA-N 0 3 224.348 3.287 20 0 BGADHN CC[C@H](C[C@@H](C)CC)NCc1cc(C)no1 ZINC000044985299 171296663 /nfs/dbraw/zinc/29/66/63/171296663.db2.gz HFHKYOOEMNRBQF-CMPLNLGQSA-N 0 3 224.348 3.287 20 0 BGADHN CC[C@@H](C)C[C@H](CC)NCc1cc(C)no1 ZINC000044985302 490188496 /nfs/dbraw/zinc/18/84/96/490188496.db2.gz HFHKYOOEMNRBQF-PWSUYJOCSA-N 0 3 224.348 3.287 20 0 BGADHN CC[C@H](C)C[C@H](CC)NCc1cc(C)no1 ZINC000044985305 171298866 /nfs/dbraw/zinc/29/88/66/171298866.db2.gz HFHKYOOEMNRBQF-JQWIXIFHSA-N 0 3 224.348 3.287 20 0 BGADHN Cc1cc(CN[C@@H]2C[C@H](C)CC(C)(C)C2)on1 ZINC000044985314 178035468 /nfs/dbraw/zinc/03/54/68/178035468.db2.gz NQWHIGBJUAHQLD-CMPLNLGQSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1cc(CN[C@H]2C[C@H](C)CC(C)(C)C2)on1 ZINC000044985316 178042401 /nfs/dbraw/zinc/04/24/01/178042401.db2.gz NQWHIGBJUAHQLD-JQWIXIFHSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1cc(CN[C@@H]2C[C@@H](C)CC(C)(C)C2)on1 ZINC000044985318 178035894 /nfs/dbraw/zinc/03/58/94/178035894.db2.gz NQWHIGBJUAHQLD-ZYHUDNBSSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1cc(CN[C@H]2C[C@@H](C)CC(C)(C)C2)on1 ZINC000044985321 178042385 /nfs/dbraw/zinc/04/23/85/178042385.db2.gz NQWHIGBJUAHQLD-PWSUYJOCSA-N 0 3 236.359 3.287 20 0 BGADHN CCCC(CCC)NCc1cc(C)no1 ZINC000044985324 344554330 /nfs/dbraw/zinc/55/43/30/344554330.db2.gz ZRURNBRMEUZTHT-UHFFFAOYSA-N 0 3 210.321 3.041 20 0 BGADHN CCC1CCC(NCc2cc(C)no2)CC1 ZINC000044985419 490188465 /nfs/dbraw/zinc/18/84/65/490188465.db2.gz FZNMBOCWUJQNCZ-UHFFFAOYSA-N 0 3 222.332 3.041 20 0 BGADHN CCCCC[C@@H](C)NCc1cc(C)no1 ZINC000044986000 344554245 /nfs/dbraw/zinc/55/42/45/344554245.db2.gz QXCBJDNTRRCGCI-SNVBAGLBSA-N 0 3 210.321 3.041 20 0 BGADHN CCCC1CCC(NCc2cc(C)no2)CC1 ZINC000044986181 490188188 /nfs/dbraw/zinc/18/81/88/490188188.db2.gz IWXKRCQHRFTZPA-UHFFFAOYSA-N 0 3 236.359 3.432 20 0 BGADHN Cc1cc(CNC2CC(c3ccccc3)C2)on1 ZINC000044986468 178019395 /nfs/dbraw/zinc/01/93/95/178019395.db2.gz SSQHJWNBARTENQ-UHFFFAOYSA-N 0 3 242.322 3.019 20 0 BGADHN Cc1cc(CN[C@@H](C)C2CCCCC2)on1 ZINC000044986946 178028875 /nfs/dbraw/zinc/02/88/75/178028875.db2.gz GZZIFRIDHMWBNY-NSHDSACASA-N 0 3 222.332 3.041 20 0 BGADHN Cc1cc(CN[C@H](C)C2CCCCC2)on1 ZINC000044986949 178036832 /nfs/dbraw/zinc/03/68/32/178036832.db2.gz GZZIFRIDHMWBNY-LLVKDONJSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1cc(CNCC[C@@H](C)c2ccccc2)on1 ZINC000044987509 178022150 /nfs/dbraw/zinc/02/21/50/178022150.db2.gz HPWISBUPYHSIRH-GFCCVEGCSA-N 0 3 244.338 3.266 20 0 BGADHN Cc1cc(CNCC[C@H](C)c2ccccc2)on1 ZINC000044987511 178022245 /nfs/dbraw/zinc/02/22/45/178022245.db2.gz HPWISBUPYHSIRH-LBPRGKRZSA-N 0 3 244.338 3.266 20 0 BGADHN CCCC[C@@H](CC)CNCc1cc(C)no1 ZINC000044990950 411143104 /nfs/dbraw/zinc/14/31/04/411143104.db2.gz CCTZDSSONATULX-GFCCVEGCSA-N 0 3 224.348 3.289 20 0 BGADHN CCCC[C@H](CC)CNCc1cc(C)no1 ZINC000044990952 411142956 /nfs/dbraw/zinc/14/29/56/411142956.db2.gz CCTZDSSONATULX-LBPRGKRZSA-N 0 3 224.348 3.289 20 0 BGADHN Cc1cc(CNc2ccnc3ccccc32)on1 ZINC000044995616 178043911 /nfs/dbraw/zinc/04/39/11/178043911.db2.gz UFAVNFMFCTUOBQ-UHFFFAOYSA-N 0 3 239.278 3.143 20 0 BGADHN CCCCN(CCCC)Cc1cc(C)no1 ZINC000045003869 491074838 /nfs/dbraw/zinc/07/48/38/491074838.db2.gz LHAVEZRNOIIDJH-UHFFFAOYSA-N 0 3 224.348 3.385 20 0 BGADHN CC(C)OCCN(Cc1cccs1)C1CC1 ZINC000045007004 167229561 /nfs/dbraw/zinc/22/95/61/167229561.db2.gz JDWNDFNSGUGVGI-UHFFFAOYSA-N 0 3 239.384 3.138 20 0 BGADHN COCC[C@H](C)N[C@@H](C)c1ccccc1Cl ZINC000045018172 384369651 /nfs/dbraw/zinc/36/96/51/384369651.db2.gz OSSBDVJTFVWBGT-QWRGUYRKSA-N 0 3 241.762 3.416 20 0 BGADHN COCC[C@@H](C)N[C@@H](C)c1ccccc1Cl ZINC000045018174 174385733 /nfs/dbraw/zinc/38/57/33/174385733.db2.gz OSSBDVJTFVWBGT-MNOVXSKESA-N 0 3 241.762 3.416 20 0 BGADHN COCC[C@H](C)N[C@H](C)c1ccccc1Cl ZINC000045018176 384368831 /nfs/dbraw/zinc/36/88/31/384368831.db2.gz OSSBDVJTFVWBGT-WDEREUQCSA-N 0 3 241.762 3.416 20 0 BGADHN COCC[C@@H](C)N[C@H](C)c1ccccc1Cl ZINC000045018178 174385356 /nfs/dbraw/zinc/38/53/56/174385356.db2.gz OSSBDVJTFVWBGT-GHMZBOCLSA-N 0 3 241.762 3.416 20 0 BGADHN COCC[C@H](C)N[C@@H](C)c1cc(F)ccc1F ZINC000045019723 387700668 /nfs/dbraw/zinc/70/06/68/387700668.db2.gz VVONMNMZHCWDPQ-UWVGGRQHSA-N 0 3 243.297 3.040 20 0 BGADHN COCC[C@@H](C)N[C@@H](C)c1cc(F)ccc1F ZINC000045019725 174384053 /nfs/dbraw/zinc/38/40/53/174384053.db2.gz VVONMNMZHCWDPQ-ZJUUUORDSA-N 0 3 243.297 3.040 20 0 BGADHN COCC[C@H](C)N[C@H](C)c1cc(F)ccc1F ZINC000045019728 387701637 /nfs/dbraw/zinc/70/16/37/387701637.db2.gz VVONMNMZHCWDPQ-VHSXEESVSA-N 0 3 243.297 3.040 20 0 BGADHN COCC[C@@H](C)N[C@H](C)c1cc(F)ccc1F ZINC000045019730 174385772 /nfs/dbraw/zinc/38/57/72/174385772.db2.gz VVONMNMZHCWDPQ-NXEZZACHSA-N 0 3 243.297 3.040 20 0 BGADHN COCC[C@H](C)N[C@@H](C)c1ccc(F)cc1F ZINC000045020340 384370260 /nfs/dbraw/zinc/37/02/60/384370260.db2.gz BXQADQIMPRCOFG-UWVGGRQHSA-N 0 3 243.297 3.040 20 0 BGADHN COCC[C@@H](C)N[C@@H](C)c1ccc(F)cc1F ZINC000045020343 174384204 /nfs/dbraw/zinc/38/42/04/174384204.db2.gz BXQADQIMPRCOFG-ZJUUUORDSA-N 0 3 243.297 3.040 20 0 BGADHN COCC[C@H](C)N[C@H](C)c1ccc(F)cc1F ZINC000045020347 384369381 /nfs/dbraw/zinc/36/93/81/384369381.db2.gz BXQADQIMPRCOFG-VHSXEESVSA-N 0 3 243.297 3.040 20 0 BGADHN COCC[C@@H](C)N[C@H](C)c1ccc(F)cc1F ZINC000045020351 174385703 /nfs/dbraw/zinc/38/57/03/174385703.db2.gz BXQADQIMPRCOFG-NXEZZACHSA-N 0 3 243.297 3.040 20 0 BGADHN COCC[C@H](C)N[C@@H](C)c1c(F)cccc1F ZINC000045036287 384372596 /nfs/dbraw/zinc/37/25/96/384372596.db2.gz SHWQJJNVBQHRON-UWVGGRQHSA-N 0 3 243.297 3.040 20 0 BGADHN COCC[C@@H](C)N[C@@H](C)c1c(F)cccc1F ZINC000045036290 174384353 /nfs/dbraw/zinc/38/43/53/174384353.db2.gz SHWQJJNVBQHRON-ZJUUUORDSA-N 0 3 243.297 3.040 20 0 BGADHN COCC[C@H](C)N[C@H](C)c1c(F)cccc1F ZINC000045036293 384372433 /nfs/dbraw/zinc/37/24/33/384372433.db2.gz SHWQJJNVBQHRON-VHSXEESVSA-N 0 3 243.297 3.040 20 0 BGADHN COCC[C@@H](C)N[C@H](C)c1c(F)cccc1F ZINC000045036294 174385208 /nfs/dbraw/zinc/38/52/08/174385208.db2.gz SHWQJJNVBQHRON-NXEZZACHSA-N 0 3 243.297 3.040 20 0 BGADHN Cc1nc(CNC2(C)CCCCC2)cs1 ZINC000045042607 344556791 /nfs/dbraw/zinc/55/67/91/344556791.db2.gz BTLXWHRTWYUKLQ-UHFFFAOYSA-N 0 3 224.373 3.264 20 0 BGADHN CC(C)OCCNCc1ccc(C(C)C)cc1 ZINC000045044546 167241472 /nfs/dbraw/zinc/24/14/72/167241472.db2.gz HOAACKLZARCMAW-UHFFFAOYSA-N 0 3 235.371 3.325 20 0 BGADHN CC1(NCc2cn3ccccc3n2)CCCCC1 ZINC000045045754 168064380 /nfs/dbraw/zinc/06/43/80/168064380.db2.gz UHNPLNZMPCXUGR-UHFFFAOYSA-N 0 3 243.354 3.147 20 0 BGADHN CC(C)CCC(=O)Nc1ccc(CN(C)C)cc1 ZINC000045069592 343522728 /nfs/dbraw/zinc/52/27/28/343522728.db2.gz GISTUBOUHGHSIA-UHFFFAOYSA-N 0 3 248.370 3.123 20 0 BGADHN CCCCCC(=O)Nc1ccc(CN(C)C)cc1 ZINC000045069614 368425491 /nfs/dbraw/zinc/42/54/91/368425491.db2.gz WGLSJSDVWHGNMQ-UHFFFAOYSA-N 0 3 248.370 3.267 20 0 BGADHN CN(Cc1ccc(Cl)nc1)CC(C)(C)C ZINC000045073471 385238516 /nfs/dbraw/zinc/23/85/16/385238516.db2.gz IQCUDEHRCVLBES-UHFFFAOYSA-N 0 3 226.751 3.213 20 0 BGADHN Cc1ccc(CNCCOCCC(C)C)c(C)c1 ZINC000045093796 384375303 /nfs/dbraw/zinc/37/53/03/384375303.db2.gz FVCSPZRSVSGXEL-UHFFFAOYSA-N 0 3 249.398 3.456 20 0 BGADHN CCc1ccc(CNCCOCCC(C)C)cc1 ZINC000045093808 384662435 /nfs/dbraw/zinc/66/24/35/384662435.db2.gz BTVGZFUOFBEUCL-UHFFFAOYSA-N 0 3 249.398 3.401 20 0 BGADHN Cc1ccsc1CNCCOCCC(C)C ZINC000045093824 358558850 /nfs/dbraw/zinc/55/88/50/358558850.db2.gz FXOOJGCRGHJZQH-UHFFFAOYSA-N 0 3 241.400 3.209 20 0 BGADHN Cc1ccc(CNCCOCCC(C)C)s1 ZINC000045093993 358558721 /nfs/dbraw/zinc/55/87/21/358558721.db2.gz VUBMLJMFOUECTJ-UHFFFAOYSA-N 0 3 241.400 3.209 20 0 BGADHN Cc1ccc(CNCCOCCC(C)C)cc1C ZINC000045094254 384663075 /nfs/dbraw/zinc/66/30/75/384663075.db2.gz BHRBLQMTCHPKHX-UHFFFAOYSA-N 0 3 249.398 3.456 20 0 BGADHN Cc1cccc(CNCCOCCC(C)C)c1C ZINC000045094385 322843510 /nfs/dbraw/zinc/84/35/10/322843510.db2.gz FTBBRQOKZIOILN-UHFFFAOYSA-N 0 3 249.398 3.456 20 0 BGADHN Cc1ccc(C)c(CNCCOCCC(C)C)c1 ZINC000045094391 322843456 /nfs/dbraw/zinc/84/34/56/322843456.db2.gz DDSHDVPUUQGIME-UHFFFAOYSA-N 0 3 249.398 3.456 20 0 BGADHN Cc1cc(C)cc(CNCCOCCC(C)C)c1 ZINC000045094395 384663332 /nfs/dbraw/zinc/66/33/32/384663332.db2.gz KVOFLPPRYWWKBV-UHFFFAOYSA-N 0 3 249.398 3.456 20 0 BGADHN C[C@H](N[C@@H]1CC1(C)C)c1ccc(F)c(F)c1 ZINC000045115526 384374905 /nfs/dbraw/zinc/37/49/05/384374905.db2.gz QOGDYORMWPQIGU-QPUJVOFHSA-N 0 3 225.282 3.414 20 0 BGADHN C[C@@H](N[C@@H]1CC1(C)C)c1ccc(F)c(F)c1 ZINC000045115528 358558930 /nfs/dbraw/zinc/55/89/30/358558930.db2.gz QOGDYORMWPQIGU-PRHODGIISA-N 0 3 225.282 3.414 20 0 BGADHN C[C@H](N[C@H]1CC1(C)C)c1ccc(F)c(F)c1 ZINC000045115530 358559107 /nfs/dbraw/zinc/55/91/07/358559107.db2.gz QOGDYORMWPQIGU-UFBFGSQYSA-N 0 3 225.282 3.414 20 0 BGADHN C[C@@H](N[C@H]1CC1(C)C)c1ccc(F)c(F)c1 ZINC000045115533 358559060 /nfs/dbraw/zinc/55/90/60/358559060.db2.gz QOGDYORMWPQIGU-PELKAZGASA-N 0 3 225.282 3.414 20 0 BGADHN C[C@H](N[C@@H]1CC1(C)C)c1ccc(F)cc1F ZINC000045115535 387706708 /nfs/dbraw/zinc/70/67/08/387706708.db2.gz WVFHKTTUDYQFCP-QPUJVOFHSA-N 0 3 225.282 3.414 20 0 BGADHN C[C@@H](N[C@@H]1CC1(C)C)c1ccc(F)cc1F ZINC000045115537 358558739 /nfs/dbraw/zinc/55/87/39/358558739.db2.gz WVFHKTTUDYQFCP-PRHODGIISA-N 0 3 225.282 3.414 20 0 BGADHN C[C@H](N[C@H]1CC1(C)C)c1ccc(F)cc1F ZINC000045115539 358558980 /nfs/dbraw/zinc/55/89/80/358558980.db2.gz WVFHKTTUDYQFCP-UFBFGSQYSA-N 0 3 225.282 3.414 20 0 BGADHN C[C@@H](N[C@H]1CC1(C)C)c1ccc(F)cc1F ZINC000045115541 343523687 /nfs/dbraw/zinc/52/36/87/343523687.db2.gz WVFHKTTUDYQFCP-PELKAZGASA-N 0 3 225.282 3.414 20 0 BGADHN C[C@H](N[C@@H]1CC1(C)C)c1nc2ccccc2n1C ZINC000045115586 176893537 /nfs/dbraw/zinc/89/35/37/176893537.db2.gz RXQZLUPALAJXJL-GXFFZTMASA-N 0 3 243.354 3.022 20 0 BGADHN C[C@@H](N[C@@H]1CC1(C)C)c1nc2ccccc2n1C ZINC000045115588 343523719 /nfs/dbraw/zinc/52/37/19/343523719.db2.gz RXQZLUPALAJXJL-ZWNOBZJWSA-N 0 3 243.354 3.022 20 0 BGADHN C[C@H](N[C@H]1CC1(C)C)c1nc2ccccc2n1C ZINC000045115590 343524104 /nfs/dbraw/zinc/52/41/04/343524104.db2.gz RXQZLUPALAJXJL-GWCFXTLKSA-N 0 3 243.354 3.022 20 0 BGADHN C[C@@H](N[C@H]1CC1(C)C)c1nc2ccccc2n1C ZINC000045115592 343523899 /nfs/dbraw/zinc/52/38/99/343523899.db2.gz RXQZLUPALAJXJL-MFKMUULPSA-N 0 3 243.354 3.022 20 0 BGADHN COc1ccc([C@H](C)N[C@@H]2CC2(C)C)c(OC)c1 ZINC000045115629 175189591 /nfs/dbraw/zinc/18/95/91/175189591.db2.gz AWLMXKJEYOCLBU-IINYFYTJSA-N 0 3 249.354 3.153 20 0 BGADHN COc1ccc([C@@H](C)N[C@@H]2CC2(C)C)c(OC)c1 ZINC000045115631 175177204 /nfs/dbraw/zinc/17/72/04/175177204.db2.gz AWLMXKJEYOCLBU-QMTHXVAHSA-N 0 3 249.354 3.153 20 0 BGADHN COc1ccc([C@H](C)N[C@H]2CC2(C)C)c(OC)c1 ZINC000045115633 175190044 /nfs/dbraw/zinc/19/00/44/175190044.db2.gz AWLMXKJEYOCLBU-HZMBPMFUSA-N 0 3 249.354 3.153 20 0 BGADHN COc1ccc([C@@H](C)N[C@H]2CC2(C)C)c(OC)c1 ZINC000045115635 175177904 /nfs/dbraw/zinc/17/79/04/175177904.db2.gz AWLMXKJEYOCLBU-YGRLFVJLSA-N 0 3 249.354 3.153 20 0 BGADHN C[C@H](N[C@@H]1CC1(C)C)c1cc(F)ccc1F ZINC000045115660 387706195 /nfs/dbraw/zinc/70/61/95/387706195.db2.gz XVHQCGMEZSEBOF-QPUJVOFHSA-N 0 3 225.282 3.414 20 0 BGADHN C[C@@H](N[C@@H]1CC1(C)C)c1cc(F)ccc1F ZINC000045115662 175912137 /nfs/dbraw/zinc/91/21/37/175912137.db2.gz XVHQCGMEZSEBOF-PRHODGIISA-N 0 3 225.282 3.414 20 0 BGADHN C[C@H](N[C@H]1CC1(C)C)c1cc(F)ccc1F ZINC000045115664 358559569 /nfs/dbraw/zinc/55/95/69/358559569.db2.gz XVHQCGMEZSEBOF-UFBFGSQYSA-N 0 3 225.282 3.414 20 0 BGADHN C[C@@H](N[C@H]1CC1(C)C)c1cc(F)ccc1F ZINC000045115666 358559762 /nfs/dbraw/zinc/55/97/62/358559762.db2.gz XVHQCGMEZSEBOF-PELKAZGASA-N 0 3 225.282 3.414 20 0 BGADHN COc1ccc(C)cc1[C@@H](C)N[C@@H]1CC1(C)C ZINC000045115773 175079532 /nfs/dbraw/zinc/07/95/32/175079532.db2.gz UCZUCSHIIUZGHU-BXUZGUMPSA-N 0 3 233.355 3.453 20 0 BGADHN COc1ccc(C)cc1[C@H](C)N[C@@H]1CC1(C)C ZINC000045115775 175081050 /nfs/dbraw/zinc/08/10/50/175081050.db2.gz UCZUCSHIIUZGHU-SMDDNHRTSA-N 0 3 233.355 3.453 20 0 BGADHN COc1ccc(C)cc1[C@@H](C)N[C@H]1CC1(C)C ZINC000045115777 175079239 /nfs/dbraw/zinc/07/92/39/175079239.db2.gz UCZUCSHIIUZGHU-RISCZKNCSA-N 0 3 233.355 3.453 20 0 BGADHN COc1ccc(C)cc1[C@H](C)N[C@H]1CC1(C)C ZINC000045115780 175081549 /nfs/dbraw/zinc/08/15/49/175081549.db2.gz UCZUCSHIIUZGHU-FZMZJTMJSA-N 0 3 233.355 3.453 20 0 BGADHN C[C@H](N[C@@H]1CC1(C)C)c1ccccc1F ZINC000045115837 385250528 /nfs/dbraw/zinc/25/05/28/385250528.db2.gz PIMHKZFAQPHBHB-JOYOIKCWSA-N 0 3 207.292 3.275 20 0 BGADHN C[C@@H](N[C@@H]1CC1(C)C)c1ccccc1F ZINC000045115839 344560242 /nfs/dbraw/zinc/56/02/42/344560242.db2.gz PIMHKZFAQPHBHB-BXKDBHETSA-N 0 3 207.292 3.275 20 0 BGADHN C[C@H](N[C@H]1CC1(C)C)c1ccccc1F ZINC000045115841 344560109 /nfs/dbraw/zinc/56/01/09/344560109.db2.gz PIMHKZFAQPHBHB-CABZTGNLSA-N 0 3 207.292 3.275 20 0 BGADHN C[C@@H](N[C@H]1CC1(C)C)c1ccccc1F ZINC000045115843 344560021 /nfs/dbraw/zinc/56/00/21/344560021.db2.gz PIMHKZFAQPHBHB-SKDRFNHKSA-N 0 3 207.292 3.275 20 0 BGADHN COc1ccc(OC)c([C@H](C)N[C@@H]2CC2(C)C)c1 ZINC000045115845 175169059 /nfs/dbraw/zinc/16/90/59/175169059.db2.gz NCFNJDRFFUQZEK-IINYFYTJSA-N 0 3 249.354 3.153 20 0 BGADHN COc1ccc(OC)c([C@@H](C)N[C@@H]2CC2(C)C)c1 ZINC000045115847 175166875 /nfs/dbraw/zinc/16/68/75/175166875.db2.gz NCFNJDRFFUQZEK-QMTHXVAHSA-N 0 3 249.354 3.153 20 0 BGADHN COc1ccc(OC)c([C@H](C)N[C@H]2CC2(C)C)c1 ZINC000045115849 175168878 /nfs/dbraw/zinc/16/88/78/175168878.db2.gz NCFNJDRFFUQZEK-HZMBPMFUSA-N 0 3 249.354 3.153 20 0 BGADHN COc1ccc(OC)c([C@@H](C)N[C@H]2CC2(C)C)c1 ZINC000045115851 175167043 /nfs/dbraw/zinc/16/70/43/175167043.db2.gz NCFNJDRFFUQZEK-YGRLFVJLSA-N 0 3 249.354 3.153 20 0 BGADHN COc1ccccc1[C@H](C)N[C@@H]1CC1(C)C ZINC000045116174 175352293 /nfs/dbraw/zinc/35/22/93/175352293.db2.gz WRGMWHXUTRYXPI-GXFFZTMASA-N 0 3 219.328 3.144 20 0 BGADHN COc1ccccc1[C@@H](C)N[C@@H]1CC1(C)C ZINC000045116176 175346568 /nfs/dbraw/zinc/34/65/68/175346568.db2.gz WRGMWHXUTRYXPI-ZWNOBZJWSA-N 0 3 219.328 3.144 20 0 BGADHN COc1ccccc1[C@H](C)N[C@H]1CC1(C)C ZINC000045116178 175352575 /nfs/dbraw/zinc/35/25/75/175352575.db2.gz WRGMWHXUTRYXPI-GWCFXTLKSA-N 0 3 219.328 3.144 20 0 BGADHN COc1ccccc1[C@@H](C)N[C@H]1CC1(C)C ZINC000045116180 175346410 /nfs/dbraw/zinc/34/64/10/175346410.db2.gz WRGMWHXUTRYXPI-MFKMUULPSA-N 0 3 219.328 3.144 20 0 BGADHN C[C@H](N[C@@H]1CC1(C)C)c1cccc(F)c1 ZINC000045116232 385250152 /nfs/dbraw/zinc/25/01/52/385250152.db2.gz ORBOCRCUNNNUHU-JOYOIKCWSA-N 0 3 207.292 3.275 20 0 BGADHN C[C@@H](N[C@@H]1CC1(C)C)c1cccc(F)c1 ZINC000045116234 344560005 /nfs/dbraw/zinc/56/00/05/344560005.db2.gz ORBOCRCUNNNUHU-BXKDBHETSA-N 0 3 207.292 3.275 20 0 BGADHN C[C@H](N[C@H]1CC1(C)C)c1cccc(F)c1 ZINC000045116236 344560270 /nfs/dbraw/zinc/56/02/70/344560270.db2.gz ORBOCRCUNNNUHU-CABZTGNLSA-N 0 3 207.292 3.275 20 0 BGADHN C[C@@H](N[C@H]1CC1(C)C)c1cccc(F)c1 ZINC000045116239 344560204 /nfs/dbraw/zinc/56/02/04/344560204.db2.gz ORBOCRCUNNNUHU-SKDRFNHKSA-N 0 3 207.292 3.275 20 0 BGADHN COc1ccc([C@H](C)N[C@@H]2CC2(C)C)cc1F ZINC000045116400 175189831 /nfs/dbraw/zinc/18/98/31/175189831.db2.gz WKWXGJYGLMHLJJ-TVQRCGJNSA-N 0 3 237.318 3.283 20 0 BGADHN COc1ccc([C@@H](C)N[C@@H]2CC2(C)C)cc1F ZINC000045116402 175177238 /nfs/dbraw/zinc/17/72/38/175177238.db2.gz WKWXGJYGLMHLJJ-NOZJJQNGSA-N 0 3 237.318 3.283 20 0 BGADHN COc1ccc([C@H](C)N[C@H]2CC2(C)C)cc1F ZINC000045116404 175190258 /nfs/dbraw/zinc/19/02/58/175190258.db2.gz WKWXGJYGLMHLJJ-ZANVPECISA-N 0 3 237.318 3.283 20 0 BGADHN COc1ccc([C@@H](C)N[C@H]2CC2(C)C)cc1F ZINC000045116406 175177607 /nfs/dbraw/zinc/17/76/07/175177607.db2.gz WKWXGJYGLMHLJJ-RNCFNFMXSA-N 0 3 237.318 3.283 20 0 BGADHN CC(=O)Nc1cccc([C@H](C)N[C@@H]2CC2(C)C)c1 ZINC000045116779 187269472 /nfs/dbraw/zinc/26/94/72/187269472.db2.gz JWMYSYIMHQNTES-IINYFYTJSA-N 0 3 246.354 3.094 20 0 BGADHN CC(=O)Nc1cccc([C@@H](C)N[C@@H]2CC2(C)C)c1 ZINC000045116781 188297823 /nfs/dbraw/zinc/29/78/23/188297823.db2.gz JWMYSYIMHQNTES-QMTHXVAHSA-N 0 3 246.354 3.094 20 0 BGADHN CC(=O)Nc1cccc([C@H](C)N[C@H]2CC2(C)C)c1 ZINC000045116783 187269674 /nfs/dbraw/zinc/26/96/74/187269674.db2.gz JWMYSYIMHQNTES-HZMBPMFUSA-N 0 3 246.354 3.094 20 0 BGADHN CC(=O)Nc1cccc([C@@H](C)N[C@H]2CC2(C)C)c1 ZINC000045116785 343523731 /nfs/dbraw/zinc/52/37/31/343523731.db2.gz JWMYSYIMHQNTES-YGRLFVJLSA-N 0 3 246.354 3.094 20 0 BGADHN Cc1cc([C@@H](C)N[C@@H]2CC2(C)C)c(C)o1 ZINC000045116799 178230175 /nfs/dbraw/zinc/23/01/75/178230175.db2.gz IRUFEJIBAFPRRG-BXKDBHETSA-N 0 3 207.317 3.346 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CC2(C)C)c(C)o1 ZINC000045116801 178253514 /nfs/dbraw/zinc/25/35/14/178253514.db2.gz IRUFEJIBAFPRRG-JOYOIKCWSA-N 0 3 207.317 3.346 20 0 BGADHN Cc1cc([C@@H](C)N[C@H]2CC2(C)C)c(C)o1 ZINC000045116803 178232186 /nfs/dbraw/zinc/23/21/86/178232186.db2.gz IRUFEJIBAFPRRG-SKDRFNHKSA-N 0 3 207.317 3.346 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2CC2(C)C)c(C)o1 ZINC000045116805 178257993 /nfs/dbraw/zinc/25/79/93/178257993.db2.gz IRUFEJIBAFPRRG-CABZTGNLSA-N 0 3 207.317 3.346 20 0 BGADHN COc1ccc([C@H](C)N[C@@H]2CC2(C)C)c(F)c1 ZINC000045117392 175189109 /nfs/dbraw/zinc/18/91/09/175189109.db2.gz PYZZXKVHDOCQPO-TVQRCGJNSA-N 0 3 237.318 3.283 20 0 BGADHN COc1ccc([C@@H](C)N[C@@H]2CC2(C)C)c(F)c1 ZINC000045117394 175177250 /nfs/dbraw/zinc/17/72/50/175177250.db2.gz PYZZXKVHDOCQPO-NOZJJQNGSA-N 0 3 237.318 3.283 20 0 BGADHN COc1ccc([C@H](C)N[C@H]2CC2(C)C)c(F)c1 ZINC000045117396 175190327 /nfs/dbraw/zinc/19/03/27/175190327.db2.gz PYZZXKVHDOCQPO-ZANVPECISA-N 0 3 237.318 3.283 20 0 BGADHN COc1ccc([C@@H](C)N[C@H]2CC2(C)C)c(F)c1 ZINC000045117399 175177928 /nfs/dbraw/zinc/17/79/28/175177928.db2.gz PYZZXKVHDOCQPO-RNCFNFMXSA-N 0 3 237.318 3.283 20 0 BGADHN COc1cc(C)ccc1[C@@H](C)N[C@@H]1CC1(C)C ZINC000045117499 538990975 /nfs/dbraw/zinc/99/09/75/538990975.db2.gz MZGIKBHLPBJNQH-BXUZGUMPSA-N 0 3 233.355 3.453 20 0 BGADHN COc1cc(C)ccc1[C@H](C)N[C@@H]1CC1(C)C ZINC000045117501 582630667 /nfs/dbraw/zinc/63/06/67/582630667.db2.gz MZGIKBHLPBJNQH-SMDDNHRTSA-N 0 3 233.355 3.453 20 0 BGADHN COc1cc(C)ccc1[C@@H](C)N[C@H]1CC1(C)C ZINC000045117503 582630545 /nfs/dbraw/zinc/63/05/45/582630545.db2.gz MZGIKBHLPBJNQH-RISCZKNCSA-N 0 3 233.355 3.453 20 0 BGADHN COc1cc(C)ccc1[C@H](C)N[C@H]1CC1(C)C ZINC000045117505 538990730 /nfs/dbraw/zinc/99/07/30/538990730.db2.gz MZGIKBHLPBJNQH-FZMZJTMJSA-N 0 3 233.355 3.453 20 0 BGADHN CC1(C)C[C@@H]1NCc1ccc(Cl)c(F)c1 ZINC000045118376 187292694 /nfs/dbraw/zinc/29/26/94/187292694.db2.gz JGGSOUIFWBTGAG-NSHDSACASA-N 0 3 227.710 3.367 20 0 BGADHN CC1(C)C[C@H]1NCc1ccc(Cl)c(F)c1 ZINC000045118379 344559015 /nfs/dbraw/zinc/55/90/15/344559015.db2.gz JGGSOUIFWBTGAG-LLVKDONJSA-N 0 3 227.710 3.367 20 0 BGADHN CC1(C)C[C@@H]1NCc1ccc(F)cc1Cl ZINC000045134195 344558794 /nfs/dbraw/zinc/55/87/94/344558794.db2.gz SOSYVVPDRJCXLR-NSHDSACASA-N 0 3 227.710 3.367 20 0 BGADHN CC1(C)C[C@H]1NCc1ccc(F)cc1Cl ZINC000045134196 188325830 /nfs/dbraw/zinc/32/58/30/188325830.db2.gz SOSYVVPDRJCXLR-LLVKDONJSA-N 0 3 227.710 3.367 20 0 BGADHN CC1(C)C[C@@H]1Nc1ccnc2ccccc21 ZINC000045135625 187395450 /nfs/dbraw/zinc/39/54/50/187395450.db2.gz CKFWDQWSGPAWSE-ZDUSSCGKSA-N 0 3 212.296 3.445 20 0 BGADHN CC1(C)C[C@H]1Nc1ccnc2ccccc21 ZINC000045135626 187231878 /nfs/dbraw/zinc/23/18/78/187231878.db2.gz CKFWDQWSGPAWSE-CYBMUJFWSA-N 0 3 212.296 3.445 20 0 BGADHN CCNCc1nc2c(s1)CCc1ccccc1-2 ZINC000045205983 170132063 /nfs/dbraw/zinc/13/20/63/170132063.db2.gz FMRIBBYDVHSCGW-UHFFFAOYSA-N 0 3 244.363 3.018 20 0 BGADHN CC(C)NCc1ncc(-c2ccccc2)s1 ZINC000045206024 167124670 /nfs/dbraw/zinc/12/46/70/167124670.db2.gz KARCEOMTTZPXPE-UHFFFAOYSA-N 0 3 232.352 3.308 20 0 BGADHN COCCN[C@@H](C)c1csc2ccccc12 ZINC000045206402 174337766 /nfs/dbraw/zinc/33/77/66/174337766.db2.gz PERMOFIVIYYXMT-JTQLQIEISA-N 0 3 235.352 3.198 20 0 BGADHN COCCN[C@H](C)c1csc2ccccc12 ZINC000045206403 174340518 /nfs/dbraw/zinc/34/05/18/174340518.db2.gz PERMOFIVIYYXMT-SNVBAGLBSA-N 0 3 235.352 3.198 20 0 BGADHN CCNCc1nc(-c2ccc(C)cc2)cs1 ZINC000045206521 170130167 /nfs/dbraw/zinc/13/01/67/170130167.db2.gz ORPUWULMNWWXMV-UHFFFAOYSA-N 0 3 232.352 3.228 20 0 BGADHN CC(C)NCc1nc(-c2ccccc2)cs1 ZINC000045206526 167121666 /nfs/dbraw/zinc/12/16/66/167121666.db2.gz DYLMXYXSVDZHGU-UHFFFAOYSA-N 0 3 232.352 3.308 20 0 BGADHN CCNCc1nc(-c2ccc(F)cc2)cs1 ZINC000045206554 170130053 /nfs/dbraw/zinc/13/00/53/170130053.db2.gz DMGIBLCNYXIGKE-UHFFFAOYSA-N 0 3 236.315 3.059 20 0 BGADHN CCNCc1nc(-c2ccccc2C)cs1 ZINC000045206563 170130264 /nfs/dbraw/zinc/13/02/64/170130264.db2.gz LDQMJVVZSACYLB-UHFFFAOYSA-N 0 3 232.352 3.228 20 0 BGADHN Cc1nc([C@@H](C)NC[C@H]2CC=CCC2)cs1 ZINC000045629086 180037085 /nfs/dbraw/zinc/03/70/85/180037085.db2.gz DYXFWXMNJVHXEH-PWSUYJOCSA-N 0 3 236.384 3.458 20 0 BGADHN Cc1nc([C@H](C)NC[C@H]2CC=CCC2)cs1 ZINC000045629087 180048407 /nfs/dbraw/zinc/04/84/07/180048407.db2.gz DYXFWXMNJVHXEH-JQWIXIFHSA-N 0 3 236.384 3.458 20 0 BGADHN Cc1nc([C@@H](C)NC[C@@H]2CC=CCC2)cs1 ZINC000045629088 180038413 /nfs/dbraw/zinc/03/84/13/180038413.db2.gz DYXFWXMNJVHXEH-ZYHUDNBSSA-N 0 3 236.384 3.458 20 0 BGADHN Cc1nc([C@H](C)NC[C@@H]2CC=CCC2)cs1 ZINC000045629089 180048865 /nfs/dbraw/zinc/04/88/65/180048865.db2.gz DYXFWXMNJVHXEH-CMPLNLGQSA-N 0 3 236.384 3.458 20 0 BGADHN Fc1cccc(CNC[C@H]2CC=CCC2)c1F ZINC000045630219 358415468 /nfs/dbraw/zinc/41/54/68/358415468.db2.gz REAIUURMBXWQLO-NSHDSACASA-N 0 3 237.293 3.411 20 0 BGADHN Fc1cccc(CNC[C@@H]2CC=CCC2)c1F ZINC000045630221 358415408 /nfs/dbraw/zinc/41/54/08/358415408.db2.gz REAIUURMBXWQLO-LLVKDONJSA-N 0 3 237.293 3.411 20 0 BGADHN COC[C@@H](C)CN[C@@H](C)c1ccccc1Cl ZINC000045655802 384400860 /nfs/dbraw/zinc/40/08/60/384400860.db2.gz TUBQKSYOQATFAV-QWRGUYRKSA-N 0 3 241.762 3.273 20 0 BGADHN COC[C@H](C)CN[C@@H](C)c1ccccc1Cl ZINC000045655804 343532090 /nfs/dbraw/zinc/53/20/90/343532090.db2.gz TUBQKSYOQATFAV-MNOVXSKESA-N 0 3 241.762 3.273 20 0 BGADHN COC[C@@H](C)CN[C@H](C)c1ccccc1Cl ZINC000045655806 384400975 /nfs/dbraw/zinc/40/09/75/384400975.db2.gz TUBQKSYOQATFAV-WDEREUQCSA-N 0 3 241.762 3.273 20 0 BGADHN COC[C@H](C)CN[C@H](C)c1ccccc1Cl ZINC000045655807 343532030 /nfs/dbraw/zinc/53/20/30/343532030.db2.gz TUBQKSYOQATFAV-GHMZBOCLSA-N 0 3 241.762 3.273 20 0 BGADHN CC(C)CN(Cc1nc2ccccc2o1)C1CC1 ZINC000045751524 411148860 /nfs/dbraw/zinc/14/88/60/411148860.db2.gz NKACJTFAIIXSAM-UHFFFAOYSA-N 0 3 244.338 3.448 20 0 BGADHN Cc1noc(C)c1CN(C)[C@@H](C)CC(C)C ZINC000045769781 640661338 /nfs/dbraw/zinc/66/13/38/640661338.db2.gz RNDIWZZQESBBRV-JTQLQIEISA-N 0 3 224.348 3.158 20 0 BGADHN Cc1noc(C)c1CN(C)[C@H](C)CC(C)C ZINC000045769782 640662001 /nfs/dbraw/zinc/66/20/01/640662001.db2.gz RNDIWZZQESBBRV-SNVBAGLBSA-N 0 3 224.348 3.158 20 0 BGADHN CCN(Cc1cccc(Cl)c1)C1CC1 ZINC000045770773 368432598 /nfs/dbraw/zinc/43/25/98/368432598.db2.gz MLGMPGTUUVCCKQ-UHFFFAOYSA-N 0 3 209.720 3.324 20 0 BGADHN CCN(Cc1ccc(Cl)s1)C1CC1 ZINC000045770885 387995337 /nfs/dbraw/zinc/99/53/37/387995337.db2.gz CHPYZEFQISKNMH-UHFFFAOYSA-N 0 3 215.749 3.386 20 0 BGADHN CCN(Cc1cc(Cl)ccc1OC)C1CC1 ZINC000045771005 387993789 /nfs/dbraw/zinc/99/37/89/387993789.db2.gz GHKAIIUEYAOGIG-UHFFFAOYSA-N 0 3 239.746 3.333 20 0 BGADHN CCN(Cc1cc(-c2ccccc2)no1)C1CC1 ZINC000045771033 342918842 /nfs/dbraw/zinc/91/88/42/342918842.db2.gz TVJLAZRHKZVQKL-UHFFFAOYSA-N 0 3 242.322 3.326 20 0 BGADHN CCC[C@@H](C)N(C)Cc1cn2cccc(C)c2n1 ZINC000045943826 487708223 /nfs/dbraw/zinc/70/82/23/487708223.db2.gz HTPFUDSBISFIMR-CYBMUJFWSA-N 0 3 245.370 3.263 20 0 BGADHN CCC[C@H](C)N(C)Cc1cn2cccc(C)c2n1 ZINC000045943828 490157522 /nfs/dbraw/zinc/15/75/22/490157522.db2.gz HTPFUDSBISFIMR-ZDUSSCGKSA-N 0 3 245.370 3.263 20 0 BGADHN CCN(Cc1nc2ccccc2o1)CC(C)C ZINC000045944469 411150385 /nfs/dbraw/zinc/15/03/85/411150385.db2.gz WSBGZPPMSRBYGC-UHFFFAOYSA-N 0 3 232.327 3.306 20 0 BGADHN CCN(Cc1cn2cc(C)ccc2n1)CC(C)C ZINC000045944472 388003760 /nfs/dbraw/zinc/00/37/60/388003760.db2.gz FDTPEGAYTHHWRK-UHFFFAOYSA-N 0 3 245.370 3.121 20 0 BGADHN CCN(Cc1cn2cccc(C)c2n1)CC(C)C ZINC000045944479 411150408 /nfs/dbraw/zinc/15/04/08/411150408.db2.gz KSKVYUDBHPEMDB-UHFFFAOYSA-N 0 3 245.370 3.121 20 0 BGADHN CCCC(=O)Nc1cccc(CN(CC)CC)c1 ZINC000046016161 343537038 /nfs/dbraw/zinc/53/70/38/343537038.db2.gz DUFNVZKSWOCORK-UHFFFAOYSA-N 0 3 248.370 3.267 20 0 BGADHN CCCCN(C)C[C@H](O)c1ccccc1Cl ZINC000046037520 343537860 /nfs/dbraw/zinc/53/78/60/343537860.db2.gz ZXSHSSYFTHNCHO-ZDUSSCGKSA-N 0 3 241.762 3.105 20 0 BGADHN CCCCN(C)C[C@@H](O)c1ccccc1Cl ZINC000046037521 343537727 /nfs/dbraw/zinc/53/77/27/343537727.db2.gz ZXSHSSYFTHNCHO-CYBMUJFWSA-N 0 3 241.762 3.105 20 0 BGADHN CCN(Cc1cccc(F)c1F)CC(C)C ZINC000046063910 368435923 /nfs/dbraw/zinc/43/59/23/368435923.db2.gz OINJRYHMZWEBOZ-UHFFFAOYSA-N 0 3 227.298 3.443 20 0 BGADHN CCN(Cc1ccccc1F)CC(C)C ZINC000046064346 343015475 /nfs/dbraw/zinc/01/54/75/343015475.db2.gz YASJQERVGNBFCT-UHFFFAOYSA-N 0 3 209.308 3.304 20 0 BGADHN CCN(Cc1cc(-c2ccco2)on1)CC(C)C ZINC000046064567 541380470 /nfs/dbraw/zinc/38/04/70/541380470.db2.gz UTGZXCWBFUCUNC-UHFFFAOYSA-N 0 3 248.326 3.413 20 0 BGADHN CN(C/C=C/Cl)CCCc1ccccc1 ZINC000046087705 640695953 /nfs/dbraw/zinc/69/59/53/640695953.db2.gz SDSMJMVFFDAVPP-UXBLZVDNSA-N 0 3 223.747 3.304 20 0 BGADHN Cc1cc(CN(C)CCCc2ccccc2)on1 ZINC000046087926 388007882 /nfs/dbraw/zinc/00/78/82/388007882.db2.gz AUYZQLJVGVHVSF-UHFFFAOYSA-N 0 3 244.338 3.048 20 0 BGADHN CC(C)OCCN1CCC[C@@H]1c1ccsc1 ZINC000046088721 343018762 /nfs/dbraw/zinc/01/87/62/343018762.db2.gz WVKINGRWBVTTCC-CYBMUJFWSA-N 0 3 239.384 3.310 20 0 BGADHN CC(C)OCCN1CCC[C@H]1c1ccsc1 ZINC000046088723 343018874 /nfs/dbraw/zinc/01/88/74/343018874.db2.gz WVKINGRWBVTTCC-ZDUSSCGKSA-N 0 3 239.384 3.310 20 0 BGADHN CCOCCN(C)Cc1csc2ccccc12 ZINC000046089702 368436528 /nfs/dbraw/zinc/43/65/28/368436528.db2.gz BTSIEWVAUAMRGI-UHFFFAOYSA-N 0 3 249.379 3.370 20 0 BGADHN CC(C)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000046090802 343539350 /nfs/dbraw/zinc/53/93/50/343539350.db2.gz SEKWZQPGEBRFME-UHFFFAOYSA-N 0 3 247.382 3.014 20 0 BGADHN CC(C)CCC(=O)Nc1ccccc1CN(C)C ZINC000046406714 342789591 /nfs/dbraw/zinc/78/95/91/342789591.db2.gz GYPMYMGPZLFBPK-UHFFFAOYSA-N 0 3 248.370 3.123 20 0 BGADHN CN(C)Cc1ccccc1NC(=O)CC(C)(C)C ZINC000046412505 342789481 /nfs/dbraw/zinc/78/94/81/342789481.db2.gz IHGHGXOWBJUKBQ-UHFFFAOYSA-N 0 3 248.370 3.123 20 0 BGADHN Clc1cc2cccnc2c(CN2CCCC2)c1 ZINC000046502166 323868095 /nfs/dbraw/zinc/86/80/95/323868095.db2.gz VJQAMMZVILIQCE-UHFFFAOYSA-N 0 3 246.741 3.484 20 0 BGADHN CN(Cc1cccc(C(F)(F)F)c1)C1CC1 ZINC000046601573 388034045 /nfs/dbraw/zinc/03/40/45/388034045.db2.gz YCDRIJWRYMHQKK-UHFFFAOYSA-N 0 3 229.245 3.300 20 0 BGADHN CSc1ccc(CN(C)C2CC2)cc1 ZINC000046601842 388034343 /nfs/dbraw/zinc/03/43/43/388034343.db2.gz LGKIPAAHNDRJJK-UHFFFAOYSA-N 0 3 207.342 3.003 20 0 BGADHN CN(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000046601916 385611528 /nfs/dbraw/zinc/61/15/28/385611528.db2.gz DXIZCRPPCIANOB-UHFFFAOYSA-N 0 3 229.245 3.300 20 0 BGADHN CN(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000046602292 387753896 /nfs/dbraw/zinc/75/38/96/387753896.db2.gz JHKLDKXGNDPKFX-UHFFFAOYSA-N 0 3 229.245 3.300 20 0 BGADHN CN(Cc1cc(Cl)cc2cccnc21)C1CC1 ZINC000046602430 388033990 /nfs/dbraw/zinc/03/39/90/388033990.db2.gz OOOICZGLFCTRQJ-UHFFFAOYSA-N 0 3 246.741 3.482 20 0 BGADHN CN(Cc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000046602695 388034604 /nfs/dbraw/zinc/03/46/04/388034604.db2.gz JAUBFZZPEYKXTF-UHFFFAOYSA-N 0 3 245.244 3.179 20 0 BGADHN CCCCN(Cc1c(C)noc1C)C1CC1 ZINC000046602813 398004462 /nfs/dbraw/zinc/00/44/62/398004462.db2.gz LXODKNOUIHFLGK-UHFFFAOYSA-N 0 3 222.332 3.056 20 0 BGADHN Cc1ncc(CN(C)CC2CCCCC2)s1 ZINC000047258963 343388340 /nfs/dbraw/zinc/38/83/40/343388340.db2.gz KUJSAQNTJIHOTB-UHFFFAOYSA-N 0 3 238.400 3.464 20 0 BGADHN CCN(CC)Cc1cccc(NC(=O)C(C)C)c1 ZINC000047447772 384480242 /nfs/dbraw/zinc/48/02/42/384480242.db2.gz UAQQCLGKVVYCII-UHFFFAOYSA-N 0 3 248.370 3.123 20 0 BGADHN CCCCCC(=O)Nc1cccc(CN(C)C)c1 ZINC000047452690 343405831 /nfs/dbraw/zinc/40/58/31/343405831.db2.gz WMBXFQPXNKNJCY-UHFFFAOYSA-N 0 3 248.370 3.267 20 0 BGADHN CN(C)Cc1cccc(NC(=O)CC(C)(C)C)c1 ZINC000047452726 342921850 /nfs/dbraw/zinc/92/18/50/342921850.db2.gz LWCVXFGHFHXOHB-UHFFFAOYSA-N 0 3 248.370 3.123 20 0 BGADHN CCC[C@@H](C)C(=O)Nc1cccc(CN(C)C)c1 ZINC000047452821 343405739 /nfs/dbraw/zinc/40/57/39/343405739.db2.gz JMUBJBVSYSJALW-GFCCVEGCSA-N 0 3 248.370 3.123 20 0 BGADHN CCC[C@H](C)C(=O)Nc1cccc(CN(C)C)c1 ZINC000047452822 343405853 /nfs/dbraw/zinc/40/58/53/343405853.db2.gz JMUBJBVSYSJALW-LBPRGKRZSA-N 0 3 248.370 3.123 20 0 BGADHN CC(C)CCC(=O)Nc1cccc(CN(C)C)c1 ZINC000047453290 343405764 /nfs/dbraw/zinc/40/57/64/343405764.db2.gz CBXYYOQGHIUPGC-UHFFFAOYSA-N 0 3 248.370 3.123 20 0 BGADHN CN(CCOc1ccc2ccccc2c1)C1CC1 ZINC000047461829 342912765 /nfs/dbraw/zinc/91/27/65/342912765.db2.gz YLPDNTBRJBANFC-UHFFFAOYSA-N 0 3 241.334 3.313 20 0 BGADHN CCCN(Cc1cc(OC)ccc1OC)C1CC1 ZINC000047697851 343439682 /nfs/dbraw/zinc/43/96/82/343439682.db2.gz SXNUKMPBOKMGAX-UHFFFAOYSA-N 0 3 249.354 3.078 20 0 BGADHN CCCN(C)Cc1cc(Cl)ccc1OC ZINC000047697904 411162451 /nfs/dbraw/zinc/16/24/51/411162451.db2.gz TVGMIOZHWINDSN-UHFFFAOYSA-N 0 3 227.735 3.190 20 0 BGADHN CCCN(C)Cc1ccc(Cl)s1 ZINC000047698643 343441830 /nfs/dbraw/zinc/44/18/30/343441830.db2.gz IWFWEYMPJVVDNK-UHFFFAOYSA-N 0 3 203.738 3.243 20 0 BGADHN CCCN1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000047699144 343442199 /nfs/dbraw/zinc/44/21/99/343442199.db2.gz BXBJDOMLOFPOGQ-CQSZACIVSA-N 0 3 249.354 3.251 20 0 BGADHN CCCN1CCC[C@H]1c1ccc(OC)cc1OC ZINC000047699145 343442503 /nfs/dbraw/zinc/44/25/03/343442503.db2.gz BXBJDOMLOFPOGQ-AWEZNQCLSA-N 0 3 249.354 3.251 20 0 BGADHN CCCN(C)Cc1ccccc1OC(F)(F)F ZINC000047701261 411162745 /nfs/dbraw/zinc/16/27/45/411162745.db2.gz ZTPWRYFGCSLQDP-UHFFFAOYSA-N 0 3 247.260 3.427 20 0 BGADHN CCCN(Cc1cccs1)C[C@@H]1CCCO1 ZINC000047702666 343446131 /nfs/dbraw/zinc/44/61/31/343446131.db2.gz ILDUBJPTPHZAED-LBPRGKRZSA-N 0 3 239.384 3.139 20 0 BGADHN CCCN(Cc1cccs1)C[C@H]1CCCO1 ZINC000047702668 343446091 /nfs/dbraw/zinc/44/60/91/343446091.db2.gz ILDUBJPTPHZAED-GFCCVEGCSA-N 0 3 239.384 3.139 20 0 BGADHN CCCN(C)Cc1ccc(Br)s1 ZINC000047703400 344581778 /nfs/dbraw/zinc/58/17/78/344581778.db2.gz XMOVSHGJGHAHHF-UHFFFAOYSA-N 0 3 248.189 3.352 20 0 BGADHN CCCN(C)Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000047704458 384672301 /nfs/dbraw/zinc/67/23/01/384672301.db2.gz XDZSCNADPYGTHZ-CMPLNLGQSA-N 0 3 207.317 3.245 20 0 BGADHN CCCN(C)Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000047704460 384672540 /nfs/dbraw/zinc/67/25/40/384672540.db2.gz XDZSCNADPYGTHZ-JQWIXIFHSA-N 0 3 207.317 3.245 20 0 BGADHN CCCN(C)Cc1cc(Br)cs1 ZINC000047751278 358601519 /nfs/dbraw/zinc/60/15/19/358601519.db2.gz NJNZRQMZOAMNKR-UHFFFAOYSA-N 0 3 248.189 3.352 20 0 BGADHN CC(C)(C)CCNCc1ccc(F)cc1F ZINC000047888194 343013398 /nfs/dbraw/zinc/01/33/98/343013398.db2.gz QLLXBKXNHWDMRF-UHFFFAOYSA-N 0 3 227.298 3.491 20 0 BGADHN CC(C)CNCc1cccnc1OC1CCCC1 ZINC000047892499 167010734 /nfs/dbraw/zinc/01/07/34/167010734.db2.gz BJOYNIULBPCFMJ-UHFFFAOYSA-N 0 3 248.370 3.149 20 0 BGADHN Cc1cc(CN(C2CC2)C2CCCCC2)on1 ZINC000047904544 411167750 /nfs/dbraw/zinc/16/77/50/411167750.db2.gz BOYUFRFGHLPLCK-UHFFFAOYSA-N 0 3 234.343 3.280 20 0 BGADHN CC(C)CCN(C/C=C/Cl)C1CC1 ZINC000047912066 635795646 /nfs/dbraw/zinc/79/56/46/635795646.db2.gz YYIHSYOTWJFURQ-XVNBXDOJSA-N 0 3 201.741 3.249 20 0 BGADHN CC[C@@H]1c2ccsc2CCN1CCCOC ZINC000047923284 343651722 /nfs/dbraw/zinc/65/17/22/343651722.db2.gz VFOJYEMAQKMAPG-GFCCVEGCSA-N 0 3 239.384 3.094 20 0 BGADHN CC[C@H]1c2ccsc2CCN1CCCOC ZINC000047923286 343651729 /nfs/dbraw/zinc/65/17/29/343651729.db2.gz VFOJYEMAQKMAPG-LBPRGKRZSA-N 0 3 239.384 3.094 20 0 BGADHN COCCN(Cc1cccc(Cl)c1)C(C)C ZINC000047958506 343568971 /nfs/dbraw/zinc/56/89/71/343568971.db2.gz ZHZXURAPVMECDR-UHFFFAOYSA-N 0 3 241.762 3.197 20 0 BGADHN Cc1ccc([C@@H](C)N(C)CCOC(C)C)cc1 ZINC000047959661 343674744 /nfs/dbraw/zinc/67/47/44/343674744.db2.gz GAPYTMOPTPBYRM-CQSZACIVSA-N 0 3 235.371 3.413 20 0 BGADHN Cc1ccc([C@H](C)N(C)CCOC(C)C)cc1 ZINC000047959662 343674828 /nfs/dbraw/zinc/67/48/28/343674828.db2.gz GAPYTMOPTPBYRM-AWEZNQCLSA-N 0 3 235.371 3.413 20 0 BGADHN C[C@H](NCCc1ccncc1)c1ccccc1F ZINC000047979554 384471817 /nfs/dbraw/zinc/47/18/17/384471817.db2.gz CICDCJVEKOMNCG-LBPRGKRZSA-N 0 3 244.313 3.114 20 0 BGADHN C[C@@H](NCCc1ccncc1)c1ccccc1F ZINC000047979556 384470581 /nfs/dbraw/zinc/47/05/81/384470581.db2.gz CICDCJVEKOMNCG-GFCCVEGCSA-N 0 3 244.313 3.114 20 0 BGADHN CC(C)CN(C)Cc1ccc(Br)o1 ZINC000048056892 323114589 /nfs/dbraw/zinc/11/45/89/323114589.db2.gz FSUBHZUOPNRJGR-UHFFFAOYSA-N 0 3 246.148 3.130 20 0 BGADHN CCN(CCOC(C)C)Cc1ccccc1C ZINC000048059216 343706861 /nfs/dbraw/zinc/70/68/61/343706861.db2.gz YYQIQGNPGHJJDQ-UHFFFAOYSA-N 0 3 235.371 3.242 20 0 BGADHN CCN(Cc1ccccc1C)C[C@@H]1CCCCO1 ZINC000048059315 343707142 /nfs/dbraw/zinc/70/71/42/343707142.db2.gz MZCUWOBAWVSBFJ-INIZCTEOSA-N 0 3 247.382 3.386 20 0 BGADHN CCN(Cc1ccccc1C)C[C@H]1CCCCO1 ZINC000048059317 343707212 /nfs/dbraw/zinc/70/72/12/343707212.db2.gz MZCUWOBAWVSBFJ-MRXNPFEDSA-N 0 3 247.382 3.386 20 0 BGADHN C[C@@H]1CCCCN1CCOc1cccc(F)c1 ZINC000048060777 343706942 /nfs/dbraw/zinc/70/69/42/343706942.db2.gz CSRZJADKLDWXGP-GFCCVEGCSA-N 0 3 237.318 3.079 20 0 BGADHN C[C@H]1CCCCN1CCOc1cccc(F)c1 ZINC000048060780 343706763 /nfs/dbraw/zinc/70/67/63/343706763.db2.gz CSRZJADKLDWXGP-LBPRGKRZSA-N 0 3 237.318 3.079 20 0 BGADHN Cc1ccc(CNCc2ccsc2)s1 ZINC000048068641 344583077 /nfs/dbraw/zinc/58/30/77/344583077.db2.gz JODLSZSMZQCUIG-UHFFFAOYSA-N 0 3 223.366 3.408 20 0 BGADHN Cc1ccc(CNCc2ccc(O)cc2)s1 ZINC000048068744 178615496 /nfs/dbraw/zinc/61/54/96/178615496.db2.gz LAFBQDQOACWEIK-UHFFFAOYSA-N 0 3 233.336 3.052 20 0 BGADHN Cc1ccc(CNCc2cccc(O)c2)s1 ZINC000048068769 322845174 /nfs/dbraw/zinc/84/51/74/322845174.db2.gz QSRDPMUMPVXLRB-UHFFFAOYSA-N 0 3 233.336 3.052 20 0 BGADHN CCC[C@@H](C)N(C)CC(=O)Nc1ccccc1C ZINC000048070604 343708162 /nfs/dbraw/zinc/70/81/62/343708162.db2.gz KJTUYVOGUBXGOU-CYBMUJFWSA-N 0 3 248.370 3.054 20 0 BGADHN CCC[C@H](C)N(C)CC(=O)Nc1ccccc1C ZINC000048070605 343708095 /nfs/dbraw/zinc/70/80/95/343708095.db2.gz KJTUYVOGUBXGOU-ZDUSSCGKSA-N 0 3 248.370 3.054 20 0 BGADHN CCC[C@@H](C)N(C)Cc1ccccc1F ZINC000048071083 343707952 /nfs/dbraw/zinc/70/79/52/343707952.db2.gz RMXRTWYFLKAUFB-LLVKDONJSA-N 0 3 209.308 3.446 20 0 BGADHN CCC[C@H](C)N(C)Cc1ccccc1F ZINC000048071084 343708224 /nfs/dbraw/zinc/70/82/24/343708224.db2.gz RMXRTWYFLKAUFB-NSHDSACASA-N 0 3 209.308 3.446 20 0 BGADHN CCCCCC(=O)Nc1ccccc1CN(C)C ZINC000048169166 343716603 /nfs/dbraw/zinc/71/66/03/343716603.db2.gz OJTDAGNXYCUVDB-UHFFFAOYSA-N 0 3 248.370 3.267 20 0 BGADHN CCC(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000048199149 343738974 /nfs/dbraw/zinc/73/89/74/343738974.db2.gz QYYDNNUYGGBGJV-UHFFFAOYSA-N 0 3 246.354 3.021 20 0 BGADHN Cc1cc([C@@H](C)NCCc2ccncc2)c(C)o1 ZINC000048261643 178227276 /nfs/dbraw/zinc/22/72/76/178227276.db2.gz JFVQHSYLMOSWCV-GFCCVEGCSA-N 0 3 244.338 3.185 20 0 BGADHN Cc1cc([C@H](C)NCCc2ccncc2)c(C)o1 ZINC000048261645 178249458 /nfs/dbraw/zinc/24/94/58/178249458.db2.gz JFVQHSYLMOSWCV-LBPRGKRZSA-N 0 3 244.338 3.185 20 0 BGADHN CCOCCNCc1csc2ccccc12 ZINC000048326906 384484884 /nfs/dbraw/zinc/48/48/84/384484884.db2.gz QCZRGRVDCMBCGU-UHFFFAOYSA-N 0 3 235.352 3.027 20 0 BGADHN C[C@@H]1CCCC[C@@H]1OCCNCc1ccccc1 ZINC000048329468 384672279 /nfs/dbraw/zinc/67/22/79/384672279.db2.gz OZXWXSNTUXRGKM-ZBFHGGJFSA-N 0 3 247.382 3.372 20 0 BGADHN C[C@H]1CCCC[C@@H]1OCCNCc1ccccc1 ZINC000048329470 384672989 /nfs/dbraw/zinc/67/29/89/384672989.db2.gz OZXWXSNTUXRGKM-HOCLYGCPSA-N 0 3 247.382 3.372 20 0 BGADHN C[C@@H]1CCCC[C@H]1OCCNCc1ccccc1 ZINC000048329472 384673659 /nfs/dbraw/zinc/67/36/59/384673659.db2.gz OZXWXSNTUXRGKM-GDBMZVCRSA-N 0 3 247.382 3.372 20 0 BGADHN C[C@H]1CCCC[C@H]1OCCNCc1ccccc1 ZINC000048329473 384672392 /nfs/dbraw/zinc/67/23/92/384672392.db2.gz OZXWXSNTUXRGKM-GOEBONIOSA-N 0 3 247.382 3.372 20 0 BGADHN Cc1cccc(CNC[C@@H](C)c2ccccc2)n1 ZINC000048329743 342989847 /nfs/dbraw/zinc/98/98/47/342989847.db2.gz CPSAKYLTEDFOFD-CYBMUJFWSA-N 0 3 240.350 3.283 20 0 BGADHN Cc1cccc(CNC[C@H](C)c2ccccc2)n1 ZINC000048329746 342989912 /nfs/dbraw/zinc/98/99/12/342989912.db2.gz CPSAKYLTEDFOFD-ZDUSSCGKSA-N 0 3 240.350 3.283 20 0 BGADHN C[C@@H]1CCCC[C@@H]1NCc1nc2ccccc2[nH]1 ZINC000048435750 358635285 /nfs/dbraw/zinc/63/52/85/358635285.db2.gz YCSYFPCTXMDPIT-NEPJUHHUSA-N 0 3 243.354 3.231 20 0 BGADHN C[C@H]1CCCC[C@@H]1NCc1nc2ccccc2[nH]1 ZINC000048435753 358635083 /nfs/dbraw/zinc/63/50/83/358635083.db2.gz YCSYFPCTXMDPIT-RYUDHWBXSA-N 0 3 243.354 3.231 20 0 BGADHN C[C@@H]1CCCC[C@H]1NCc1nc2ccccc2[nH]1 ZINC000048435756 358634794 /nfs/dbraw/zinc/63/47/94/358634794.db2.gz YCSYFPCTXMDPIT-VXGBXAGGSA-N 0 3 243.354 3.231 20 0 BGADHN C[C@H]1CCCC[C@H]1NCc1nc2ccccc2[nH]1 ZINC000048435759 358635105 /nfs/dbraw/zinc/63/51/05/358635105.db2.gz YCSYFPCTXMDPIT-NWDGAFQWSA-N 0 3 243.354 3.231 20 0 BGADHN Cc1ccc(CN[C@@H]2CCc3ccccc3C2)o1 ZINC000048436740 358635324 /nfs/dbraw/zinc/63/53/24/358635324.db2.gz VGWNKZRWENSJEL-OAHLLOKOSA-N 0 3 241.334 3.235 20 0 BGADHN Cc1ccc(CN[C@H]2CCc3ccccc3C2)o1 ZINC000048436742 358634952 /nfs/dbraw/zinc/63/49/52/358634952.db2.gz VGWNKZRWENSJEL-HNNXBMFYSA-N 0 3 241.334 3.235 20 0 BGADHN Cc1ccc(CNCCOc2cccc(C)c2)o1 ZINC000048437012 179167494 /nfs/dbraw/zinc/16/74/94/179167494.db2.gz FSCBIKBYTMSTDW-UHFFFAOYSA-N 0 3 245.322 3.065 20 0 BGADHN Cc1cccc(OCCNCc2ccsc2)c1 ZINC000048437018 179168450 /nfs/dbraw/zinc/16/84/50/179168450.db2.gz PEUPHLMAXFOCLX-UHFFFAOYSA-N 0 3 247.363 3.225 20 0 BGADHN c1coc(CNCCSCc2ccccc2)c1 ZINC000048462983 322846301 /nfs/dbraw/zinc/84/63/01/322846301.db2.gz CSBUCCAKYHQQQZ-UHFFFAOYSA-N 0 3 247.363 3.303 20 0 BGADHN CO[C@@H](CNCc1ccccc1)c1ccccc1 ZINC000048557623 344587815 /nfs/dbraw/zinc/58/78/15/344587815.db2.gz VWGUTZRQAJEKBF-INIZCTEOSA-N 0 3 241.334 3.164 20 0 BGADHN CO[C@H](CNCc1ccccc1)c1ccccc1 ZINC000048557628 383856323 /nfs/dbraw/zinc/85/63/23/383856323.db2.gz VWGUTZRQAJEKBF-MRXNPFEDSA-N 0 3 241.334 3.164 20 0 BGADHN CC(C)N(C)Cc1ccc(Br)s1 ZINC000048583516 343584037 /nfs/dbraw/zinc/58/40/37/343584037.db2.gz WPNHTYQSZPLIKF-UHFFFAOYSA-N 0 3 248.189 3.351 20 0 BGADHN C[C@@H](Cc1ccsc1)N[C@@H](C)c1ccccn1 ZINC000049154553 343093719 /nfs/dbraw/zinc/09/37/19/343093719.db2.gz HXKPPIGNTOPZEO-RYUDHWBXSA-N 0 3 246.379 3.425 20 0 BGADHN C[C@H](Cc1ccsc1)N[C@@H](C)c1ccccn1 ZINC000049154555 343093662 /nfs/dbraw/zinc/09/36/62/343093662.db2.gz HXKPPIGNTOPZEO-NEPJUHHUSA-N 0 3 246.379 3.425 20 0 BGADHN C[C@@H](N[C@@H](C)Cc1ccsc1)c1ccccn1 ZINC000049154558 343093796 /nfs/dbraw/zinc/09/37/96/343093796.db2.gz HXKPPIGNTOPZEO-NWDGAFQWSA-N 0 3 246.379 3.425 20 0 BGADHN C[C@H](Cc1ccsc1)N[C@H](C)c1ccccn1 ZINC000049154561 343093755 /nfs/dbraw/zinc/09/37/55/343093755.db2.gz HXKPPIGNTOPZEO-VXGBXAGGSA-N 0 3 246.379 3.425 20 0 BGADHN Cc1ccc(C)c(COc2ccccc2CN)c1 ZINC000049256453 384867068 /nfs/dbraw/zinc/86/70/68/384867068.db2.gz ZODLIUPYKGVGTO-UHFFFAOYSA-N 0 3 241.334 3.341 20 0 BGADHN CCCCOCCNCc1cc(C)ccc1C ZINC000049256762 322845808 /nfs/dbraw/zinc/84/58/08/322845808.db2.gz WYSKXNCIXPIVBJ-UHFFFAOYSA-N 0 3 235.371 3.210 20 0 BGADHN Cc1ncc(CNCc2cc(C)ccc2C)s1 ZINC000049256773 387785593 /nfs/dbraw/zinc/78/55/93/387785593.db2.gz JKAKXCIXBQUPFD-UHFFFAOYSA-N 0 3 246.379 3.358 20 0 BGADHN Cc1ccc([C@@H](C)NCCOC(C)C)s1 ZINC000049259607 383879902 /nfs/dbraw/zinc/87/99/02/383879902.db2.gz MTFGNVZERPLAPR-LLVKDONJSA-N 0 3 227.373 3.132 20 0 BGADHN Cc1ccc([C@H](C)NCCOC(C)C)s1 ZINC000049259609 344601498 /nfs/dbraw/zinc/60/14/98/344601498.db2.gz MTFGNVZERPLAPR-NSHDSACASA-N 0 3 227.373 3.132 20 0 BGADHN CC[C@H](NCCOC(C)C)c1cccs1 ZINC000049530329 535902622 /nfs/dbraw/zinc/90/26/22/535902622.db2.gz BLJIQMYQBDQEPX-NSHDSACASA-N 0 3 227.373 3.214 20 0 BGADHN CC[C@@H](NCCOC(C)C)c1cccs1 ZINC000049530330 344649378 /nfs/dbraw/zinc/64/93/78/344649378.db2.gz BLJIQMYQBDQEPX-LLVKDONJSA-N 0 3 227.373 3.214 20 0 BGADHN Cc1ccc(C)c([C@@H](C)NCc2cccn2C)c1 ZINC000049537619 487725859 /nfs/dbraw/zinc/72/58/59/487725859.db2.gz IHMXSSSUGHUCMW-CQSZACIVSA-N 0 3 242.366 3.493 20 0 BGADHN Cc1ccc(C)c([C@H](C)NCc2cccn2C)c1 ZINC000049537620 487725881 /nfs/dbraw/zinc/72/58/81/487725881.db2.gz IHMXSSSUGHUCMW-AWEZNQCLSA-N 0 3 242.366 3.493 20 0 BGADHN Cc1ccc([C@@H](C)NCCOC(C)C)cc1 ZINC000049556524 384545806 /nfs/dbraw/zinc/54/58/06/384545806.db2.gz MPJIVMHXXSTACO-CYBMUJFWSA-N 0 3 221.344 3.071 20 0 BGADHN Cc1ccc([C@H](C)NCCOC(C)C)cc1 ZINC000049556525 384547109 /nfs/dbraw/zinc/54/71/09/384547109.db2.gz MPJIVMHXXSTACO-ZDUSSCGKSA-N 0 3 221.344 3.071 20 0 BGADHN CCc1nc(CNCCC2CCCC2)cs1 ZINC000049591204 358694837 /nfs/dbraw/zinc/69/48/37/358694837.db2.gz XUKJOQVEGPOUAK-UHFFFAOYSA-N 0 3 238.400 3.375 20 0 BGADHN CCc1nc(CNCCCC(C)C)cs1 ZINC000049591214 344655889 /nfs/dbraw/zinc/65/58/89/344655889.db2.gz YGKSIXQOOZWOQD-UHFFFAOYSA-N 0 3 226.389 3.231 20 0 BGADHN CCc1nc(CN[C@@H]2CCC[C@H](C)C2)cs1 ZINC000049591224 643097101 /nfs/dbraw/zinc/09/71/01/643097101.db2.gz IWRGHKYGAHIRQS-WDEREUQCSA-N 0 3 238.400 3.374 20 0 BGADHN CCc1nc(CN[C@H]2CCC[C@H](C)C2)cs1 ZINC000049591225 643096205 /nfs/dbraw/zinc/09/62/05/643096205.db2.gz IWRGHKYGAHIRQS-QWRGUYRKSA-N 0 3 238.400 3.374 20 0 BGADHN CCc1nc(CN[C@@H]2CCC[C@@H](C)C2)cs1 ZINC000049591226 171986301 /nfs/dbraw/zinc/98/63/01/171986301.db2.gz IWRGHKYGAHIRQS-GHMZBOCLSA-N 0 3 238.400 3.374 20 0 BGADHN CCc1nc(CN[C@H]2CCC[C@@H](C)C2)cs1 ZINC000049591227 643096542 /nfs/dbraw/zinc/09/65/42/643096542.db2.gz IWRGHKYGAHIRQS-MNOVXSKESA-N 0 3 238.400 3.374 20 0 BGADHN CCc1nc(CN[C@@H](C)[C@@H](C)CC)cs1 ZINC000049593143 636285357 /nfs/dbraw/zinc/28/53/57/636285357.db2.gz TUFDCZBWHOFUMB-UWVGGRQHSA-N 0 3 226.389 3.230 20 0 BGADHN CCc1nc(CN[C@H](C)[C@@H](C)CC)cs1 ZINC000049593146 643095862 /nfs/dbraw/zinc/09/58/62/643095862.db2.gz TUFDCZBWHOFUMB-VHSXEESVSA-N 0 3 226.389 3.230 20 0 BGADHN CCc1nc(CN[C@@H](C)[C@H](C)CC)cs1 ZINC000049593150 643097128 /nfs/dbraw/zinc/09/71/28/643097128.db2.gz TUFDCZBWHOFUMB-ZJUUUORDSA-N 0 3 226.389 3.230 20 0 BGADHN CCc1nc(CN[C@H](C)[C@H](C)CC)cs1 ZINC000049593153 643096723 /nfs/dbraw/zinc/09/67/23/643096723.db2.gz TUFDCZBWHOFUMB-NXEZZACHSA-N 0 3 226.389 3.230 20 0 BGADHN CCc1nc(CN[C@@H](CC)C(C)C)cs1 ZINC000049593189 344655846 /nfs/dbraw/zinc/65/58/46/344655846.db2.gz MNEFZLCUVKNAJK-NSHDSACASA-N 0 3 226.389 3.230 20 0 BGADHN CCc1nc(CN[C@H](CC)C(C)C)cs1 ZINC000049593192 344655948 /nfs/dbraw/zinc/65/59/48/344655948.db2.gz MNEFZLCUVKNAJK-LLVKDONJSA-N 0 3 226.389 3.230 20 0 BGADHN Cc1cc(C(C)(C)C)cc(C)c1CN(C)CCO ZINC000049633931 384678169 /nfs/dbraw/zinc/67/81/69/384678169.db2.gz OBDWBIBFCKDZKF-UHFFFAOYSA-N 0 3 249.398 3.025 20 0 BGADHN CCCN[C@@H](COC)c1ccc(Cl)cc1 ZINC000049684579 169279223 /nfs/dbraw/zinc/27/92/23/169279223.db2.gz UNJALXGIWFCCFJ-LBPRGKRZSA-N 0 3 227.735 3.027 20 0 BGADHN CCCN[C@H](COC)c1ccc(Cl)cc1 ZINC000049684581 169289288 /nfs/dbraw/zinc/28/92/88/169289288.db2.gz UNJALXGIWFCCFJ-GFCCVEGCSA-N 0 3 227.735 3.027 20 0 BGADHN Cc1cc(CNCc2cccnc2)c(C)s1 ZINC000049685229 178027545 /nfs/dbraw/zinc/02/75/45/178027545.db2.gz XVYMTPZSINJKIY-UHFFFAOYSA-N 0 3 232.352 3.050 20 0 BGADHN CCCCOCCNCc1cc(C)sc1C ZINC000049687014 323163696 /nfs/dbraw/zinc/16/36/96/323163696.db2.gz QLCXBVGOIVFVQT-UHFFFAOYSA-N 0 3 241.400 3.271 20 0 BGADHN CC(C)CCCCCCNCc1ncc[nH]1 ZINC000049714764 643221285 /nfs/dbraw/zinc/22/12/85/643221285.db2.gz BVKXVABBIHZLIC-UHFFFAOYSA-N 0 3 223.364 3.106 20 0 BGADHN CCC(C)(C)C1CCC(NCc2ncc[nH]2)CC1 ZINC000049714878 168270439 /nfs/dbraw/zinc/27/04/39/168270439.db2.gz OOGCCKSATHVNRH-UHFFFAOYSA-N 0 3 249.402 3.494 20 0 BGADHN CC(C)(C)[C@@H]1CCCC[C@@H]1NCc1ncc[nH]1 ZINC000049714892 188219269 /nfs/dbraw/zinc/21/92/69/188219269.db2.gz AUIUUOPBFUSDJR-NEPJUHHUSA-N 0 3 235.375 3.104 20 0 BGADHN CC(C)(C)[C@H]1CCCC[C@@H]1NCc1ncc[nH]1 ZINC000049714893 187357023 /nfs/dbraw/zinc/35/70/23/187357023.db2.gz AUIUUOPBFUSDJR-RYUDHWBXSA-N 0 3 235.375 3.104 20 0 BGADHN CC(C)CCCCCCNCc1nccn1C ZINC000049773619 643391888 /nfs/dbraw/zinc/39/18/88/643391888.db2.gz QGMKXIUTNQGDKN-UHFFFAOYSA-N 0 3 237.391 3.116 20 0 BGADHN CCCCCNCc1nc(C)c(C)s1 ZINC000049815204 643464097 /nfs/dbraw/zinc/46/40/97/643464097.db2.gz LHIYHPQLVCEFDD-UHFFFAOYSA-N 0 3 212.362 3.040 20 0 BGADHN c1csc(CNCCC2=CCCCC2)n1 ZINC000049819017 188327049 /nfs/dbraw/zinc/32/70/49/188327049.db2.gz YMQIMYLMPOFOQP-UHFFFAOYSA-N 0 3 222.357 3.123 20 0 BGADHN Cc1nc(CNC2CCCCC2)sc1C ZINC000049819828 179968119 /nfs/dbraw/zinc/96/81/19/179968119.db2.gz CXWZIYXBBGFKDS-UHFFFAOYSA-N 0 3 224.373 3.182 20 0 BGADHN Cc1ccc(CNCCCOc2ccccc2)o1 ZINC000049825179 643469658 /nfs/dbraw/zinc/46/96/58/643469658.db2.gz NZLHKBOEEOCKGW-UHFFFAOYSA-N 0 3 245.322 3.147 20 0 BGADHN CCCCN(C)CCC(=O)c1ccc(C)cc1 ZINC000049825793 323164014 /nfs/dbraw/zinc/16/40/14/323164014.db2.gz XTVAVUBDZYEISX-UHFFFAOYSA-N 0 3 233.355 3.300 20 0 BGADHN Cc1csc(CNCCC2=CCCCC2)n1 ZINC000049828339 384570870 /nfs/dbraw/zinc/57/08/70/384570870.db2.gz KXTZMFSMNUCFEP-UHFFFAOYSA-N 0 3 236.384 3.432 20 0 BGADHN Cc1nc(CNCCc2ccccc2)sc1C ZINC000049834676 643475596 /nfs/dbraw/zinc/47/55/96/643475596.db2.gz SLCXXTUZAQAJGU-UHFFFAOYSA-N 0 3 246.379 3.092 20 0 BGADHN C[C@H](NCCOc1ccccc1)c1cccs1 ZINC000049855252 384685828 /nfs/dbraw/zinc/68/58/28/384685828.db2.gz YGXVKXWFJNGWAW-LBPRGKRZSA-N 0 3 247.363 3.478 20 0 BGADHN C[C@@H](NCCOc1ccccc1)c1cccs1 ZINC000049855255 175882287 /nfs/dbraw/zinc/88/22/87/175882287.db2.gz YGXVKXWFJNGWAW-GFCCVEGCSA-N 0 3 247.363 3.478 20 0 BGADHN C[C@H](NC[C@@H]1CCCCO1)c1ccccc1F ZINC000049855489 384575159 /nfs/dbraw/zinc/57/51/59/384575159.db2.gz CICVUNBQLZXWCF-RYUDHWBXSA-N 0 3 237.318 3.045 20 0 BGADHN C[C@@H](NC[C@@H]1CCCCO1)c1ccccc1F ZINC000049855490 384576615 /nfs/dbraw/zinc/57/66/15/384576615.db2.gz CICVUNBQLZXWCF-NEPJUHHUSA-N 0 3 237.318 3.045 20 0 BGADHN C[C@H](NC[C@H]1CCCCO1)c1ccccc1F ZINC000049855493 384576333 /nfs/dbraw/zinc/57/63/33/384576333.db2.gz CICVUNBQLZXWCF-NWDGAFQWSA-N 0 3 237.318 3.045 20 0 BGADHN C[C@@H](NC[C@H]1CCCCO1)c1ccccc1F ZINC000049855494 187435906 /nfs/dbraw/zinc/43/59/06/187435906.db2.gz CICVUNBQLZXWCF-VXGBXAGGSA-N 0 3 237.318 3.045 20 0 BGADHN C[C@H](NC[C@@H]1CCCCO1)c1cccc(F)c1 ZINC000049855519 384576018 /nfs/dbraw/zinc/57/60/18/384576018.db2.gz QFWIGUCVSJVNRF-FZMZJTMJSA-N 0 3 237.318 3.045 20 0 BGADHN C[C@@H](NC[C@@H]1CCCCO1)c1cccc(F)c1 ZINC000049855521 384576812 /nfs/dbraw/zinc/57/68/12/384576812.db2.gz QFWIGUCVSJVNRF-RISCZKNCSA-N 0 3 237.318 3.045 20 0 BGADHN C[C@H](NC[C@H]1CCCCO1)c1cccc(F)c1 ZINC000049855523 384576703 /nfs/dbraw/zinc/57/67/03/384576703.db2.gz QFWIGUCVSJVNRF-SMDDNHRTSA-N 0 3 237.318 3.045 20 0 BGADHN C[C@@H](NC[C@H]1CCCCO1)c1cccc(F)c1 ZINC000049855525 384574935 /nfs/dbraw/zinc/57/49/35/384574935.db2.gz QFWIGUCVSJVNRF-BXUZGUMPSA-N 0 3 237.318 3.045 20 0 BGADHN C[C@H](NCCCOc1ccccc1)c1ccco1 ZINC000049900232 384574511 /nfs/dbraw/zinc/57/45/11/384574511.db2.gz NGCUOQCWIKZYDB-ZDUSSCGKSA-N 0 3 245.322 3.399 20 0 BGADHN C[C@@H](NCCCOc1ccccc1)c1ccco1 ZINC000049900233 384574347 /nfs/dbraw/zinc/57/43/47/384574347.db2.gz NGCUOQCWIKZYDB-CYBMUJFWSA-N 0 3 245.322 3.399 20 0 BGADHN C[C@H](NCCOc1ccccc1F)c1ccco1 ZINC000049900234 384576285 /nfs/dbraw/zinc/57/62/85/384576285.db2.gz AFCNTTYAKXRHEK-NSHDSACASA-N 0 3 249.285 3.148 20 0 BGADHN C[C@@H](NCCOc1ccccc1F)c1ccco1 ZINC000049900235 384574554 /nfs/dbraw/zinc/57/45/54/384574554.db2.gz AFCNTTYAKXRHEK-LLVKDONJSA-N 0 3 249.285 3.148 20 0 BGADHN C[C@H](NCCOc1ccccc1)c1ccco1 ZINC000049900236 384574326 /nfs/dbraw/zinc/57/43/26/384574326.db2.gz BXVUFBVATFNQHG-LBPRGKRZSA-N 0 3 231.295 3.009 20 0 BGADHN C[C@@H](NCCOc1ccccc1)c1ccco1 ZINC000049900237 175882348 /nfs/dbraw/zinc/88/23/48/175882348.db2.gz BXVUFBVATFNQHG-GFCCVEGCSA-N 0 3 231.295 3.009 20 0 BGADHN Cc1ccccc1OCCN[C@@H](C)c1ccco1 ZINC000049900240 179311387 /nfs/dbraw/zinc/31/13/87/179311387.db2.gz SLJODKMCDWXAJY-ZDUSSCGKSA-N 0 3 245.322 3.318 20 0 BGADHN Cc1ccccc1OCCN[C@H](C)c1ccco1 ZINC000049900241 179311288 /nfs/dbraw/zinc/31/12/88/179311288.db2.gz SLJODKMCDWXAJY-CYBMUJFWSA-N 0 3 245.322 3.318 20 0 BGADHN Cc1ccc(OCCN[C@@H](C)c2ccco2)cc1 ZINC000049900246 384575534 /nfs/dbraw/zinc/57/55/34/384575534.db2.gz FZKVAPRYXVCELL-ZDUSSCGKSA-N 0 3 245.322 3.318 20 0 BGADHN Cc1ccc(OCCN[C@H](C)c2ccco2)cc1 ZINC000049900247 384575739 /nfs/dbraw/zinc/57/57/39/384575739.db2.gz FZKVAPRYXVCELL-CYBMUJFWSA-N 0 3 245.322 3.318 20 0 BGADHN Cc1cccc(OCCN[C@@H](C)c2ccco2)c1 ZINC000049900248 384687647 /nfs/dbraw/zinc/68/76/47/384687647.db2.gz HTYPBLDMOWHYJZ-ZDUSSCGKSA-N 0 3 245.322 3.318 20 0 BGADHN Cc1cccc(OCCN[C@H](C)c2ccco2)c1 ZINC000049900249 384685144 /nfs/dbraw/zinc/68/51/44/384685144.db2.gz HTYPBLDMOWHYJZ-CYBMUJFWSA-N 0 3 245.322 3.318 20 0 BGADHN C[C@H](NCCOc1ccc(F)cc1)c1ccco1 ZINC000049900252 384576462 /nfs/dbraw/zinc/57/64/62/384576462.db2.gz FQHPHERLBYVXBZ-NSHDSACASA-N 0 3 249.285 3.148 20 0 BGADHN C[C@@H](NCCOc1ccc(F)cc1)c1ccco1 ZINC000049900253 384576247 /nfs/dbraw/zinc/57/62/47/384576247.db2.gz FQHPHERLBYVXBZ-LLVKDONJSA-N 0 3 249.285 3.148 20 0 BGADHN Cc1ccc([C@@H](C)NCCOc2ccccc2)o1 ZINC000049900488 384576543 /nfs/dbraw/zinc/57/65/43/384576543.db2.gz GRUSKUINFXWVIM-CYBMUJFWSA-N 0 3 245.322 3.318 20 0 BGADHN Cc1ccc([C@H](C)NCCOc2ccccc2)o1 ZINC000049900489 384576229 /nfs/dbraw/zinc/57/62/29/384576229.db2.gz GRUSKUINFXWVIM-ZDUSSCGKSA-N 0 3 245.322 3.318 20 0 BGADHN CCN(CC)Cc1ccc(Br)s1 ZINC000049900501 384068745 /nfs/dbraw/zinc/06/87/45/384068745.db2.gz BKPDMUGVDIQSKB-UHFFFAOYSA-N 0 3 248.189 3.352 20 0 BGADHN CCc1nc(CNC[C@H]2CC=CCC2)cs1 ZINC000049918475 643555094 /nfs/dbraw/zinc/55/50/94/643555094.db2.gz UPGFOKLJJHYYDB-NSHDSACASA-N 0 3 236.384 3.151 20 0 BGADHN CCc1nc(CNC[C@@H]2CC=CCC2)cs1 ZINC000049918476 643555571 /nfs/dbraw/zinc/55/55/71/643555571.db2.gz UPGFOKLJJHYYDB-LLVKDONJSA-N 0 3 236.384 3.151 20 0 BGADHN COC[C@H](C)NCc1csc2ccccc12 ZINC000049943175 387790559 /nfs/dbraw/zinc/79/05/59/387790559.db2.gz LLWRCNYPPZWZKV-JTQLQIEISA-N 0 3 235.352 3.026 20 0 BGADHN COC[C@@H](C)NCc1csc2ccccc12 ZINC000049943176 387790052 /nfs/dbraw/zinc/79/00/52/387790052.db2.gz LLWRCNYPPZWZKV-SNVBAGLBSA-N 0 3 235.352 3.026 20 0 BGADHN Cc1cc(CNCc2ccccc2)ccc1F ZINC000049943358 178026961 /nfs/dbraw/zinc/02/69/61/178026961.db2.gz FXZADRBHHDHRMV-UHFFFAOYSA-N 0 3 229.298 3.424 20 0 BGADHN Cc1cc(CNCc2cccs2)ccc1F ZINC000049943387 178027079 /nfs/dbraw/zinc/02/70/79/178027079.db2.gz GVAPPWVAPJAULI-UHFFFAOYSA-N 0 3 235.327 3.485 20 0 BGADHN Cc1ccsc1CNCCOC1CCCC1 ZINC000049948534 358706690 /nfs/dbraw/zinc/70/66/90/358706690.db2.gz XNNJFJYMWSWAGI-UHFFFAOYSA-N 0 3 239.384 3.105 20 0 BGADHN Cc1ccc(CNCCOC2CCCC2)s1 ZINC000049948535 358706891 /nfs/dbraw/zinc/70/68/91/358706891.db2.gz POBAJEBMVLVEQB-UHFFFAOYSA-N 0 3 239.384 3.105 20 0 BGADHN c1csc(CNCCOC2CCCCC2)c1 ZINC000049948553 358706833 /nfs/dbraw/zinc/70/68/33/358706833.db2.gz OAIYKBLIOGHKRZ-UHFFFAOYSA-N 0 3 239.384 3.187 20 0 BGADHN c1ccc(CNCCOC2CCCCC2)cc1 ZINC000049948558 358706628 /nfs/dbraw/zinc/70/66/28/358706628.db2.gz QAZIPWYQRWXNQV-UHFFFAOYSA-N 0 3 233.355 3.126 20 0 BGADHN CO[C@@H]1CCC[C@H]1NCc1ccc(Cl)s1 ZINC000049948798 343019274 /nfs/dbraw/zinc/01/92/74/343019274.db2.gz XIQLQSHBGFSPAD-NXEZZACHSA-N 0 3 245.775 3.059 20 0 BGADHN CO[C@@H]1CCC[C@H]1NCc1cc2ccccc2o1 ZINC000049948814 343019292 /nfs/dbraw/zinc/01/92/92/343019292.db2.gz YXIOFXQIPNLQSU-UKRRQHHQSA-N 0 3 245.322 3.090 20 0 BGADHN C[C@H](NCc1ccc(F)cc1F)C1(C)CC1 ZINC000049949200 358706759 /nfs/dbraw/zinc/70/67/59/358706759.db2.gz YLHBDVLOJATDDN-VIFPVBQESA-N 0 3 225.282 3.243 20 0 BGADHN C[C@@H](NCc1ccc(F)cc1F)C1(C)CC1 ZINC000049949201 358707028 /nfs/dbraw/zinc/70/70/28/358707028.db2.gz YLHBDVLOJATDDN-SECBINFHSA-N 0 3 225.282 3.243 20 0 BGADHN c1csc([C@H](NCc2cccnc2)C2CC2)c1 ZINC000049956808 384685203 /nfs/dbraw/zinc/68/52/03/384685203.db2.gz GIIDOZOLHMBIKG-CQSZACIVSA-N 0 3 244.363 3.384 20 0 BGADHN c1csc([C@@H](NCc2cccnc2)C2CC2)c1 ZINC000049956809 384686734 /nfs/dbraw/zinc/68/67/34/384686734.db2.gz GIIDOZOLHMBIKG-AWEZNQCLSA-N 0 3 244.363 3.384 20 0 BGADHN c1csc([C@H](NCc2ccncc2)C2CC2)c1 ZINC000049956820 387790211 /nfs/dbraw/zinc/79/02/11/387790211.db2.gz PDXYPXLGAOTIBN-CQSZACIVSA-N 0 3 244.363 3.384 20 0 BGADHN c1csc([C@@H](NCc2ccncc2)C2CC2)c1 ZINC000049956821 387790609 /nfs/dbraw/zinc/79/06/09/387790609.db2.gz PDXYPXLGAOTIBN-AWEZNQCLSA-N 0 3 244.363 3.384 20 0 BGADHN CCc1ccc(COc2ccccc2CN)cc1 ZINC000049961202 343128640 /nfs/dbraw/zinc/12/86/40/343128640.db2.gz XUZDQBQULSPUFW-UHFFFAOYSA-N 0 3 241.334 3.287 20 0 BGADHN Cc1cc(C)cc(CN(C)C[C@@H]2CCCCO2)c1 ZINC000050075351 350281605 /nfs/dbraw/zinc/28/16/05/350281605.db2.gz GNQLLYCXBDEHPJ-INIZCTEOSA-N 0 3 247.382 3.304 20 0 BGADHN Cc1cc(C)cc(CN(C)C[C@H]2CCCCO2)c1 ZINC000050075352 350281917 /nfs/dbraw/zinc/28/19/17/350281917.db2.gz GNQLLYCXBDEHPJ-MRXNPFEDSA-N 0 3 247.382 3.304 20 0 BGADHN C[C@@H]1C[C@H](C)CN(Cc2ccnc(Cl)c2)C1 ZINC000050165760 643626324 /nfs/dbraw/zinc/62/63/24/643626324.db2.gz LRZBJMQNRJMELM-PHIMTYICSA-N 0 3 238.762 3.213 20 0 BGADHN C[C@H]1C[C@H](C)CN(Cc2ccnc(Cl)c2)C1 ZINC000050165762 643626910 /nfs/dbraw/zinc/62/69/10/643626910.db2.gz LRZBJMQNRJMELM-QWRGUYRKSA-N 0 3 238.762 3.213 20 0 BGADHN C[C@@H]1C[C@@H](C)CN(Cc2ccnc(Cl)c2)C1 ZINC000050165764 631954131 /nfs/dbraw/zinc/95/41/31/631954131.db2.gz LRZBJMQNRJMELM-GHMZBOCLSA-N 0 3 238.762 3.213 20 0 BGADHN CCN[C@@H](C)c1cc(Cl)ccc1OC ZINC000050210088 170141096 /nfs/dbraw/zinc/14/10/96/170141096.db2.gz JJRZKRIVCAKQJY-QMMMGPOBSA-N 0 3 213.708 3.019 20 0 BGADHN CCN[C@H](C)c1cc(Cl)ccc1OC ZINC000050210089 170159313 /nfs/dbraw/zinc/15/93/13/170159313.db2.gz JJRZKRIVCAKQJY-MRVPVSSYSA-N 0 3 213.708 3.019 20 0 BGADHN CCN[C@@H](C)c1cc(Cl)ccc1OCC ZINC000050210110 344736287 /nfs/dbraw/zinc/73/62/87/344736287.db2.gz SLIDGHKAEYEFPF-VIFPVBQESA-N 0 3 227.735 3.409 20 0 BGADHN CCN[C@H](C)c1cc(Cl)ccc1OCC ZINC000050210111 344736352 /nfs/dbraw/zinc/73/63/52/344736352.db2.gz SLIDGHKAEYEFPF-SECBINFHSA-N 0 3 227.735 3.409 20 0 BGADHN CCCN[C@@H](C)c1cc(Cl)ccc1OC ZINC000050210406 384689708 /nfs/dbraw/zinc/68/97/08/384689708.db2.gz QELWRYGTZVYIJQ-VIFPVBQESA-N 0 3 227.735 3.409 20 0 BGADHN CCCN[C@H](C)c1cc(Cl)ccc1OC ZINC000050210407 322848651 /nfs/dbraw/zinc/84/86/51/322848651.db2.gz QELWRYGTZVYIJQ-SECBINFHSA-N 0 3 227.735 3.409 20 0 BGADHN CCn1cc([C@@H](C)NCc2ccc(C)s2)cn1 ZINC000050225421 358720755 /nfs/dbraw/zinc/72/07/55/358720755.db2.gz GZYFDTCKDBAJMW-LLVKDONJSA-N 0 3 249.383 3.124 20 0 BGADHN CCn1cc([C@H](C)NCc2ccc(C)s2)cn1 ZINC000050225422 358721493 /nfs/dbraw/zinc/72/14/93/358721493.db2.gz GZYFDTCKDBAJMW-NSHDSACASA-N 0 3 249.383 3.124 20 0 BGADHN CC(C)(C)OCCNCc1ccc(Cl)s1 ZINC000050266769 397970450 /nfs/dbraw/zinc/97/04/50/397970450.db2.gz RROBBLFURGTQHT-UHFFFAOYSA-N 0 3 247.791 3.306 20 0 BGADHN Clc1ccccc1CNC[C@@H]1CCC=CO1 ZINC000050267256 384611475 /nfs/dbraw/zinc/61/14/75/384611475.db2.gz LKSWCHLSXDCVPR-LBPRGKRZSA-N 0 3 237.730 3.122 20 0 BGADHN Clc1ccccc1CNC[C@H]1CCC=CO1 ZINC000050267257 384610480 /nfs/dbraw/zinc/61/04/80/384610480.db2.gz LKSWCHLSXDCVPR-GFCCVEGCSA-N 0 3 237.730 3.122 20 0 BGADHN COc1ccccc1[C@H](C)NC[C@@H]1CCC=CO1 ZINC000050267484 175352094 /nfs/dbraw/zinc/35/20/94/175352094.db2.gz DEGVYPPJWAEBDT-STQMWFEESA-N 0 3 247.338 3.039 20 0 BGADHN COc1ccccc1[C@@H](C)NC[C@@H]1CCC=CO1 ZINC000050267485 175344236 /nfs/dbraw/zinc/34/42/36/175344236.db2.gz DEGVYPPJWAEBDT-OLZOCXBDSA-N 0 3 247.338 3.039 20 0 BGADHN COc1ccccc1[C@H](C)NC[C@H]1CCC=CO1 ZINC000050267486 175352628 /nfs/dbraw/zinc/35/26/28/175352628.db2.gz DEGVYPPJWAEBDT-QWHCGFSZSA-N 0 3 247.338 3.039 20 0 BGADHN COc1ccccc1[C@@H](C)NC[C@H]1CCC=CO1 ZINC000050267487 175344883 /nfs/dbraw/zinc/34/48/83/175344883.db2.gz DEGVYPPJWAEBDT-CHWSQXEVSA-N 0 3 247.338 3.039 20 0 BGADHN Clc1ccc(CNC[C@@H]2CCC=CO2)cc1 ZINC000050267806 384612526 /nfs/dbraw/zinc/61/25/26/384612526.db2.gz YJRKXNMYMSHUOI-ZDUSSCGKSA-N 0 3 237.730 3.122 20 0 BGADHN Clc1ccc(CNC[C@H]2CCC=CO2)cc1 ZINC000050267807 384611323 /nfs/dbraw/zinc/61/13/23/384611323.db2.gz YJRKXNMYMSHUOI-CYBMUJFWSA-N 0 3 237.730 3.122 20 0 BGADHN C[C@H](NC[C@@H]1CCC=CO1)c1ccccc1F ZINC000050269196 643673275 /nfs/dbraw/zinc/67/32/75/643673275.db2.gz WLBTZIWHARENNK-RYUDHWBXSA-N 0 3 235.302 3.169 20 0 BGADHN C[C@@H](NC[C@@H]1CCC=CO1)c1ccccc1F ZINC000050269197 643672115 /nfs/dbraw/zinc/67/21/15/643672115.db2.gz WLBTZIWHARENNK-NEPJUHHUSA-N 0 3 235.302 3.169 20 0 BGADHN C[C@H](NC[C@H]1CCC=CO1)c1ccccc1F ZINC000050269198 643673372 /nfs/dbraw/zinc/67/33/72/643673372.db2.gz WLBTZIWHARENNK-NWDGAFQWSA-N 0 3 235.302 3.169 20 0 BGADHN C[C@@H](NC[C@H]1CCC=CO1)c1ccccc1F ZINC000050269199 643673045 /nfs/dbraw/zinc/67/30/45/643673045.db2.gz WLBTZIWHARENNK-VXGBXAGGSA-N 0 3 235.302 3.169 20 0 BGADHN COc1cccc([C@H](C)NC[C@@H]2CCC=CO2)c1 ZINC000050269214 175293186 /nfs/dbraw/zinc/29/31/86/175293186.db2.gz BFKCMJIFLYIXLN-WFASDCNBSA-N 0 3 247.338 3.039 20 0 BGADHN COc1cccc([C@@H](C)NC[C@@H]2CCC=CO2)c1 ZINC000050269215 175286592 /nfs/dbraw/zinc/28/65/92/175286592.db2.gz BFKCMJIFLYIXLN-DOMZBBRYSA-N 0 3 247.338 3.039 20 0 BGADHN COc1cccc([C@H](C)NC[C@H]2CCC=CO2)c1 ZINC000050269216 175293131 /nfs/dbraw/zinc/29/31/31/175293131.db2.gz BFKCMJIFLYIXLN-SWLSCSKDSA-N 0 3 247.338 3.039 20 0 BGADHN COc1cccc([C@@H](C)NC[C@H]2CCC=CO2)c1 ZINC000050269217 175286581 /nfs/dbraw/zinc/28/65/81/175286581.db2.gz BFKCMJIFLYIXLN-IUODEOHRSA-N 0 3 247.338 3.039 20 0 BGADHN CN(C)Cc1cccc(NCC2CCCC2)c1 ZINC000050271655 487475527 /nfs/dbraw/zinc/47/55/27/487475527.db2.gz KSJSCHLMIUZNJT-UHFFFAOYSA-N 0 3 232.371 3.350 20 0 BGADHN CCN(CCOC(C)C)Cc1cccc(F)c1 ZINC000050274885 350318341 /nfs/dbraw/zinc/31/83/41/350318341.db2.gz IWJXJNNJCYFSDW-UHFFFAOYSA-N 0 3 239.334 3.073 20 0 BGADHN CC(C)c1ccc(CN(CCCO)C2CC2)cc1 ZINC000050274911 384275199 /nfs/dbraw/zinc/27/51/99/384275199.db2.gz RSLRSMWJCIZWFG-UHFFFAOYSA-N 0 3 247.382 3.157 20 0 BGADHN CC(C)OCCN(C)[C@@H](C)c1ccccc1 ZINC000050275364 167227489 /nfs/dbraw/zinc/22/74/89/167227489.db2.gz MUMVTJDTODFZFC-ZDUSSCGKSA-N 0 3 221.344 3.104 20 0 BGADHN CC(C)OCCN(C)[C@H](C)c1ccccc1 ZINC000050275365 167229470 /nfs/dbraw/zinc/22/94/70/167229470.db2.gz MUMVTJDTODFZFC-CYBMUJFWSA-N 0 3 221.344 3.104 20 0 BGADHN CCc1nc(CN[C@@H](C)CC(C)C)cs1 ZINC000050285609 344746540 /nfs/dbraw/zinc/74/65/40/344746540.db2.gz KCHDYAMRBALQQM-JTQLQIEISA-N 0 3 226.389 3.230 20 0 BGADHN CCc1nc(CN[C@H](C)CC(C)C)cs1 ZINC000050285610 344746435 /nfs/dbraw/zinc/74/64/35/344746435.db2.gz KCHDYAMRBALQQM-SNVBAGLBSA-N 0 3 226.389 3.230 20 0 BGADHN CCc1nc(CNC2(C)CCCC2)cs1 ZINC000050285639 344746487 /nfs/dbraw/zinc/74/64/87/344746487.db2.gz VTZMSPFQRJDIBK-UHFFFAOYSA-N 0 3 224.373 3.128 20 0 BGADHN C[C@H](NC[C@H](O)c1ccccc1)c1ccsc1 ZINC000050340252 384617365 /nfs/dbraw/zinc/61/73/65/384617365.db2.gz MPVODNAWIRFCIG-FZMZJTMJSA-N 0 3 247.363 3.132 20 0 BGADHN C[C@@H](NC[C@H](O)c1ccccc1)c1ccsc1 ZINC000050340255 384618270 /nfs/dbraw/zinc/61/82/70/384618270.db2.gz MPVODNAWIRFCIG-RISCZKNCSA-N 0 3 247.363 3.132 20 0 BGADHN C[C@H](NC[C@@H](O)c1ccccc1)c1ccsc1 ZINC000050340257 384617560 /nfs/dbraw/zinc/61/75/60/384617560.db2.gz MPVODNAWIRFCIG-SMDDNHRTSA-N 0 3 247.363 3.132 20 0 BGADHN C[C@@H](NC[C@@H](O)c1ccccc1)c1ccsc1 ZINC000050340260 384618543 /nfs/dbraw/zinc/61/85/43/384618543.db2.gz MPVODNAWIRFCIG-BXUZGUMPSA-N 0 3 247.363 3.132 20 0 BGADHN C[C@H](NCCc1ccco1)c1ccsc1 ZINC000050340311 134657485 /nfs/dbraw/zinc/65/74/85/134657485.db2.gz CJCVZMJBPQJLFM-JTQLQIEISA-N 0 3 221.325 3.234 20 0 BGADHN C[C@@H](NCCc1ccco1)c1ccsc1 ZINC000050340314 134658257 /nfs/dbraw/zinc/65/82/57/134658257.db2.gz CJCVZMJBPQJLFM-SNVBAGLBSA-N 0 3 221.325 3.234 20 0 BGADHN CCCCOCCN[C@@H](C)c1ccsc1 ZINC000050344374 344783474 /nfs/dbraw/zinc/78/34/74/344783474.db2.gz WNHIGTZGOXNJFM-NSHDSACASA-N 0 3 227.373 3.215 20 0 BGADHN CCCCOCCN[C@H](C)c1ccsc1 ZINC000050344377 168903427 /nfs/dbraw/zinc/90/34/27/168903427.db2.gz WNHIGTZGOXNJFM-LLVKDONJSA-N 0 3 227.373 3.215 20 0 BGADHN C[C@H](NCCOc1ccccc1)c1ccsc1 ZINC000050344795 384617343 /nfs/dbraw/zinc/61/73/43/384617343.db2.gz NGRNLMGFSUXJAF-LBPRGKRZSA-N 0 3 247.363 3.478 20 0 BGADHN C[C@@H](NCCOc1ccccc1)c1ccsc1 ZINC000050344797 384617633 /nfs/dbraw/zinc/61/76/33/384617633.db2.gz NGRNLMGFSUXJAF-GFCCVEGCSA-N 0 3 247.363 3.478 20 0 BGADHN CC(C)CCOCCN[C@@H](C)c1ccsc1 ZINC000050344986 384616950 /nfs/dbraw/zinc/61/69/50/384616950.db2.gz MPYXBLSVMNPSPY-LBPRGKRZSA-N 0 3 241.400 3.461 20 0 BGADHN CC(C)CCOCCN[C@H](C)c1ccsc1 ZINC000050344989 384617481 /nfs/dbraw/zinc/61/74/81/384617481.db2.gz MPYXBLSVMNPSPY-GFCCVEGCSA-N 0 3 241.400 3.461 20 0 BGADHN CO[C@@H]1CCC[C@H]1Nc1ccnc2ccccc21 ZINC000050374498 384693565 /nfs/dbraw/zinc/69/35/65/384693565.db2.gz IFJNJECXHHNBOD-HUUCEWRRSA-N 0 3 242.322 3.214 20 0 BGADHN CCC[C@@H](CC)NCc1csc(C)n1 ZINC000050401255 344811080 /nfs/dbraw/zinc/81/10/80/344811080.db2.gz XBARDGNPIPLPDH-SNVBAGLBSA-N 0 3 212.362 3.120 20 0 BGADHN CCC[C@H](CC)NCc1csc(C)n1 ZINC000050401257 344811019 /nfs/dbraw/zinc/81/10/19/344811019.db2.gz XBARDGNPIPLPDH-JTQLQIEISA-N 0 3 212.362 3.120 20 0 BGADHN CCC[C@@H](CC)NCc1cnc2ccccc2n1 ZINC000050402101 411257945 /nfs/dbraw/zinc/25/79/45/411257945.db2.gz VWOGBNXTLWGCBK-GFCCVEGCSA-N 0 3 243.354 3.298 20 0 BGADHN CCC[C@H](CC)NCc1cnc2ccccc2n1 ZINC000050402103 411257227 /nfs/dbraw/zinc/25/72/27/411257227.db2.gz VWOGBNXTLWGCBK-LBPRGKRZSA-N 0 3 243.354 3.298 20 0 BGADHN CCC[C@@H](CC)NCc1csc(CC)n1 ZINC000050403414 169379018 /nfs/dbraw/zinc/37/90/18/169379018.db2.gz WGXJFQAYAVCAEF-SNVBAGLBSA-N 0 3 226.389 3.374 20 0 BGADHN CCC[C@H](CC)NCc1csc(CC)n1 ZINC000050403416 188154078 /nfs/dbraw/zinc/15/40/78/188154078.db2.gz WGXJFQAYAVCAEF-JTQLQIEISA-N 0 3 226.389 3.374 20 0 BGADHN CCC[C@@H](CC)NCc1cn2ccccc2n1 ZINC000050404658 169379756 /nfs/dbraw/zinc/37/97/56/169379756.db2.gz VEWQRXCGJQVEHB-GFCCVEGCSA-N 0 3 231.343 3.003 20 0 BGADHN CCC[C@H](CC)NCc1cn2ccccc2n1 ZINC000050404660 384625995 /nfs/dbraw/zinc/62/59/95/384625995.db2.gz VEWQRXCGJQVEHB-LBPRGKRZSA-N 0 3 231.343 3.003 20 0 BGADHN CCn1cc(CN[C@@H](C)c2ccc(C)s2)cn1 ZINC000050539684 172174193 /nfs/dbraw/zinc/17/41/93/172174193.db2.gz GYQCLLXPPIYDIO-NSHDSACASA-N 0 3 249.383 3.124 20 0 BGADHN CCn1cc(CN[C@H](C)c2ccc(C)s2)cn1 ZINC000050539685 172174784 /nfs/dbraw/zinc/17/47/84/172174784.db2.gz GYQCLLXPPIYDIO-LLVKDONJSA-N 0 3 249.383 3.124 20 0 BGADHN CCn1cc(CN[C@@H](C)c2ccccc2C)cn1 ZINC000050539717 172174742 /nfs/dbraw/zinc/17/47/42/172174742.db2.gz DJZLOBGQVBXHFP-ZDUSSCGKSA-N 0 3 243.354 3.062 20 0 BGADHN CCn1cc(CN[C@H](C)c2ccccc2C)cn1 ZINC000050539718 172174583 /nfs/dbraw/zinc/17/45/83/172174583.db2.gz DJZLOBGQVBXHFP-CYBMUJFWSA-N 0 3 243.354 3.062 20 0 BGADHN CC[C@H](NCc1cnn(CC)c1)c1cccs1 ZINC000050539724 641174322 /nfs/dbraw/zinc/17/43/22/641174322.db2.gz JXJBEQSCFZGNHT-LBPRGKRZSA-N 0 3 249.383 3.205 20 0 BGADHN CC[C@@H](NCc1cnn(CC)c1)c1cccs1 ZINC000050539725 641176407 /nfs/dbraw/zinc/17/64/07/641176407.db2.gz JXJBEQSCFZGNHT-GFCCVEGCSA-N 0 3 249.383 3.205 20 0 BGADHN CCn1cc(CN[C@@H](C)c2ccc(C)cc2)cn1 ZINC000050539735 172173509 /nfs/dbraw/zinc/17/35/09/172173509.db2.gz UYQUHFQDKZMVCI-ZDUSSCGKSA-N 0 3 243.354 3.062 20 0 BGADHN CCn1cc(CN[C@H](C)c2ccc(C)cc2)cn1 ZINC000050539736 172173585 /nfs/dbraw/zinc/17/35/85/172173585.db2.gz UYQUHFQDKZMVCI-CYBMUJFWSA-N 0 3 243.354 3.062 20 0 BGADHN Cc1cc(CN[C@@H](C)c2ccncc2)ccc1F ZINC000050544665 178031707 /nfs/dbraw/zinc/03/17/07/178031707.db2.gz IZNONGMTUWXPES-LBPRGKRZSA-N 0 3 244.313 3.380 20 0 BGADHN Cc1cc(CN[C@H](C)c2ccncc2)ccc1F ZINC000050544666 178039053 /nfs/dbraw/zinc/03/90/53/178039053.db2.gz IZNONGMTUWXPES-GFCCVEGCSA-N 0 3 244.313 3.380 20 0 BGADHN Cc1cc(CN[C@@H](C)c2cccnc2)ccc1F ZINC000050544692 178031423 /nfs/dbraw/zinc/03/14/23/178031423.db2.gz SCIHSDAUDAJHIW-LBPRGKRZSA-N 0 3 244.313 3.380 20 0 BGADHN Cc1cc(CN[C@H](C)c2cccnc2)ccc1F ZINC000050544693 178038637 /nfs/dbraw/zinc/03/86/37/178038637.db2.gz SCIHSDAUDAJHIW-GFCCVEGCSA-N 0 3 244.313 3.380 20 0 BGADHN CCCCOCCNCc1ccc(F)c(C)c1 ZINC000050545633 168901357 /nfs/dbraw/zinc/90/13/57/168901357.db2.gz KDEBYWRGQQZQHO-UHFFFAOYSA-N 0 3 239.334 3.040 20 0 BGADHN Cc1cc(F)ccc1CNCc1ccccc1 ZINC000050569017 178087315 /nfs/dbraw/zinc/08/73/15/178087315.db2.gz OLQPBJXVSASXMK-UHFFFAOYSA-N 0 3 229.298 3.424 20 0 BGADHN Cc1cc(F)ccc1CN[C@@H](C)c1cccnc1 ZINC000050569181 343164296 /nfs/dbraw/zinc/16/42/96/343164296.db2.gz XPMORKRHPXCIOB-LBPRGKRZSA-N 0 3 244.313 3.380 20 0 BGADHN Cc1cc(F)ccc1CN[C@H](C)c1cccnc1 ZINC000050569182 357711615 /nfs/dbraw/zinc/71/16/15/357711615.db2.gz XPMORKRHPXCIOB-GFCCVEGCSA-N 0 3 244.313 3.380 20 0 BGADHN Cc1cc(F)ccc1CNCc1cccs1 ZINC000050569208 178087239 /nfs/dbraw/zinc/08/72/39/178087239.db2.gz GEMXXWHRMAGCBH-UHFFFAOYSA-N 0 3 235.327 3.485 20 0 BGADHN Cn1cccc1CN[C@@H](c1ccccc1)C1CC1 ZINC000050595549 384635422 /nfs/dbraw/zinc/63/54/22/384635422.db2.gz XJQGVFWSDTVNPJ-INIZCTEOSA-N 0 3 240.350 3.266 20 0 BGADHN Cn1cccc1CN[C@H](c1ccccc1)C1CC1 ZINC000050595550 384635077 /nfs/dbraw/zinc/63/50/77/384635077.db2.gz XJQGVFWSDTVNPJ-MRXNPFEDSA-N 0 3 240.350 3.266 20 0 BGADHN Cc1ccc([C@@H](C)NCc2cccn2C)cc1 ZINC000050595923 384634930 /nfs/dbraw/zinc/63/49/30/384634930.db2.gz WDOUIGHDHKBSGS-CYBMUJFWSA-N 0 3 228.339 3.184 20 0 BGADHN Cc1ccc([C@H](C)NCc2cccn2C)cc1 ZINC000050595924 178893833 /nfs/dbraw/zinc/89/38/33/178893833.db2.gz WDOUIGHDHKBSGS-ZDUSSCGKSA-N 0 3 228.339 3.184 20 0 BGADHN Cc1ccc([C@@H](C)NCc2cccn2C)s1 ZINC000050596213 387310351 /nfs/dbraw/zinc/31/03/51/387310351.db2.gz BCCABDCOBACZIC-LLVKDONJSA-N 0 3 234.368 3.246 20 0 BGADHN Cc1ccc([C@H](C)NCc2cccn2C)s1 ZINC000050596215 387310453 /nfs/dbraw/zinc/31/04/53/387310453.db2.gz BCCABDCOBACZIC-NSHDSACASA-N 0 3 234.368 3.246 20 0 BGADHN CC(C)c1ccc(CNCc2cccn2C)cc1 ZINC000050596312 384634171 /nfs/dbraw/zinc/63/41/71/384634171.db2.gz XJWBAMXNIXAEFI-UHFFFAOYSA-N 0 3 242.366 3.438 20 0 BGADHN CC(C)c1ccc(CNc2nccn2C)cc1 ZINC000050606626 387795583 /nfs/dbraw/zinc/79/55/83/387795583.db2.gz WKGNZKBZXUIUQR-UHFFFAOYSA-N 0 3 229.327 3.156 20 0 BGADHN CCn1ccnc1NCC(C)(C)c1ccccc1 ZINC000050614078 172227633 /nfs/dbraw/zinc/22/76/33/172227633.db2.gz AFRPJBDHZJHSFG-UHFFFAOYSA-N 0 3 243.354 3.293 20 0 BGADHN CCNc1cc(CC)nc2ccccc21 ZINC000050868618 170172275 /nfs/dbraw/zinc/17/22/75/170172275.db2.gz NEWKVYQRQBWBMK-UHFFFAOYSA-N 0 3 200.285 3.229 20 0 BGADHN CCCC[C@@H](C)NCc1csc(CC)n1 ZINC000050888175 642357680 /nfs/dbraw/zinc/35/76/80/642357680.db2.gz MXGIXTYJSLEJGI-SNVBAGLBSA-N 0 3 226.389 3.374 20 0 BGADHN CCCC[C@H](C)NCc1csc(CC)n1 ZINC000050888176 642357471 /nfs/dbraw/zinc/35/74/71/642357471.db2.gz MXGIXTYJSLEJGI-JTQLQIEISA-N 0 3 226.389 3.374 20 0 BGADHN CCCC[C@@H](C)N[C@@H](C)C(=O)Nc1ccccc1 ZINC000050888680 343619755 /nfs/dbraw/zinc/61/97/55/343619755.db2.gz IHTGDRBRUGSEDX-OLZOCXBDSA-N 0 3 248.370 3.182 20 0 BGADHN CCCC[C@H](C)N[C@@H](C)C(=O)Nc1ccccc1 ZINC000050888681 343619738 /nfs/dbraw/zinc/61/97/38/343619738.db2.gz IHTGDRBRUGSEDX-STQMWFEESA-N 0 3 248.370 3.182 20 0 BGADHN CCCC[C@@H](C)N[C@H](C)C(=O)Nc1ccccc1 ZINC000050888682 343620124 /nfs/dbraw/zinc/62/01/24/343620124.db2.gz IHTGDRBRUGSEDX-CHWSQXEVSA-N 0 3 248.370 3.182 20 0 BGADHN CCCC[C@H](C)N[C@H](C)C(=O)Nc1ccccc1 ZINC000050888683 343619822 /nfs/dbraw/zinc/61/98/22/343619822.db2.gz IHTGDRBRUGSEDX-QWHCGFSZSA-N 0 3 248.370 3.182 20 0 BGADHN CCCC[C@@H](C)NCc1cn2ccccc2n1 ZINC000050888823 343620114 /nfs/dbraw/zinc/62/01/14/343620114.db2.gz KOTFZJSWYYXWMN-GFCCVEGCSA-N 0 3 231.343 3.003 20 0 BGADHN CCCC[C@H](C)NCc1cn2ccccc2n1 ZINC000050888824 343620057 /nfs/dbraw/zinc/62/00/57/343620057.db2.gz KOTFZJSWYYXWMN-LBPRGKRZSA-N 0 3 231.343 3.003 20 0 BGADHN CCN(Cc1cccc(OC(F)F)c1)C1CC1 ZINC000050959758 345761583 /nfs/dbraw/zinc/76/15/83/345761583.db2.gz WPJBXRQATDPUOI-UHFFFAOYSA-N 0 3 241.281 3.272 20 0 BGADHN CCC(CC)CNCc1ccc(F)cc1F ZINC000051016569 168361082 /nfs/dbraw/zinc/36/10/82/168361082.db2.gz WIQHJGLJLAVDNF-UHFFFAOYSA-N 0 3 227.298 3.491 20 0 BGADHN CCC[C@@H](C)CNCc1ccc(F)cc1F ZINC000051016664 169360043 /nfs/dbraw/zinc/36/00/43/169360043.db2.gz VCPSIPDJPQEJKN-SNVBAGLBSA-N 0 3 227.298 3.491 20 0 BGADHN CCC[C@H](C)CNCc1ccc(F)cc1F ZINC000051016666 384706754 /nfs/dbraw/zinc/70/67/54/384706754.db2.gz VCPSIPDJPQEJKN-JTQLQIEISA-N 0 3 227.298 3.491 20 0 BGADHN C[C@H](NCCCCCO)c1ccccc1Cl ZINC000051021110 384656264 /nfs/dbraw/zinc/65/62/64/384656264.db2.gz DRCLPLUKELRKKM-NSHDSACASA-N 0 3 241.762 3.153 20 0 BGADHN C[C@@H](NCCCCCO)c1ccccc1Cl ZINC000051021111 384656513 /nfs/dbraw/zinc/65/65/13/384656513.db2.gz DRCLPLUKELRKKM-LLVKDONJSA-N 0 3 241.762 3.153 20 0 BGADHN Clc1ccc(CN2CCCC2)c2ncccc12 ZINC000051125759 323173616 /nfs/dbraw/zinc/17/36/16/323173616.db2.gz VZEPAXXVMYGDCO-UHFFFAOYSA-N 0 3 246.741 3.484 20 0 BGADHN Clc1ccc2cccnc2c1CN1CCCC1 ZINC000051125761 323173631 /nfs/dbraw/zinc/17/36/31/323173631.db2.gz DQUACMMBCUGFIU-UHFFFAOYSA-N 0 3 246.741 3.484 20 0 BGADHN CC(C)Oc1cccc(CN2CCCC2)c1 ZINC000051125780 323173591 /nfs/dbraw/zinc/17/35/91/323173591.db2.gz LJWGGGLSUWLCJX-UHFFFAOYSA-N 0 3 219.328 3.070 20 0 BGADHN CCN(CCCOC)Cc1ccc(Cl)s1 ZINC000051232223 346996160 /nfs/dbraw/zinc/99/61/60/346996160.db2.gz ZVTKAHAWRYMLGF-UHFFFAOYSA-N 0 3 247.791 3.260 20 0 BGADHN CCCCN(CC)Cc1cn2c(cccc2C)n1 ZINC000051266780 323187033 /nfs/dbraw/zinc/18/70/33/323187033.db2.gz CTMZNLYQHBKEHR-UHFFFAOYSA-N 0 3 245.370 3.265 20 0 BGADHN Cc1cccc2nc(CN(C)C3CCCC3)cn21 ZINC000051502109 323189462 /nfs/dbraw/zinc/18/94/62/323189462.db2.gz ICXZHGDUVRQSGL-UHFFFAOYSA-N 0 3 243.354 3.017 20 0 BGADHN CN(Cc1cc(F)ccc1F)C1CCCC1 ZINC000051502114 323189486 /nfs/dbraw/zinc/18/94/86/323189486.db2.gz RJHANIPLPQTIBL-UHFFFAOYSA-N 0 3 225.282 3.339 20 0 BGADHN CC(C)CNCc1cccc(OC(C)(C)C)n1 ZINC000051527152 167009754 /nfs/dbraw/zinc/00/97/54/167009754.db2.gz ZDWZDRDCUHVYOP-UHFFFAOYSA-N 0 3 236.359 3.005 20 0 BGADHN CCN(Cc1cc(C)ccc1C)C[C@@H]1CCCO1 ZINC000051555285 350750396 /nfs/dbraw/zinc/75/03/96/350750396.db2.gz GKUMAIQZLDJZKA-INIZCTEOSA-N 0 3 247.382 3.304 20 0 BGADHN CCN(Cc1cc(C)ccc1C)C[C@H]1CCCO1 ZINC000051555286 350750638 /nfs/dbraw/zinc/75/06/38/350750638.db2.gz GKUMAIQZLDJZKA-MRXNPFEDSA-N 0 3 247.382 3.304 20 0 BGADHN CCN(Cc1cc(C)cc(C)c1)C[C@@H]1CCCO1 ZINC000051555337 350750659 /nfs/dbraw/zinc/75/06/59/350750659.db2.gz JMZFZDYWRDRCPU-INIZCTEOSA-N 0 3 247.382 3.304 20 0 BGADHN CCN(Cc1cc(C)cc(C)c1)C[C@H]1CCCO1 ZINC000051555338 350750435 /nfs/dbraw/zinc/75/04/35/350750435.db2.gz JMZFZDYWRDRCPU-MRXNPFEDSA-N 0 3 247.382 3.304 20 0 BGADHN Cc1cccc(CN[C@@H](C)CCC(C)C)n1 ZINC000051574442 323189943 /nfs/dbraw/zinc/18/99/43/323189943.db2.gz AROUEKHDEMRYPI-LBPRGKRZSA-N 0 3 220.360 3.304 20 0 BGADHN Cc1cccc(CN[C@H](C)CCC(C)C)n1 ZINC000051574445 323189941 /nfs/dbraw/zinc/18/99/41/323189941.db2.gz AROUEKHDEMRYPI-GFCCVEGCSA-N 0 3 220.360 3.304 20 0 BGADHN Cc1cccc(CN[C@@H](C)CCc2ccco2)n1 ZINC000051575073 323190016 /nfs/dbraw/zinc/19/00/16/323190016.db2.gz ZIRKYOUMOFWHCQ-LBPRGKRZSA-N 0 3 244.338 3.094 20 0 BGADHN Cc1cccc(CN[C@H](C)CCc2ccco2)n1 ZINC000051575075 323189971 /nfs/dbraw/zinc/18/99/71/323189971.db2.gz ZIRKYOUMOFWHCQ-GFCCVEGCSA-N 0 3 244.338 3.094 20 0 BGADHN CCCC[C@@H](C)NCc1cccc(C)n1 ZINC000051575307 323189974 /nfs/dbraw/zinc/18/99/74/323189974.db2.gz SDWCRZUKTLQWBN-LLVKDONJSA-N 0 3 206.333 3.058 20 0 BGADHN CCCC[C@H](C)NCc1cccc(C)n1 ZINC000051575309 323190040 /nfs/dbraw/zinc/19/00/40/323190040.db2.gz SDWCRZUKTLQWBN-NSHDSACASA-N 0 3 206.333 3.058 20 0 BGADHN CN(Cc1ccnc(Cl)c1)C1CCCC1 ZINC000051602116 349981360 /nfs/dbraw/zinc/98/13/60/349981360.db2.gz XNWMVEFVNXKEES-UHFFFAOYSA-N 0 3 224.735 3.109 20 0 BGADHN CCC[C@@H](C)N(C)Cc1ccnc(Cl)c1 ZINC000051606261 169365530 /nfs/dbraw/zinc/36/55/30/169365530.db2.gz XULKGLOKJZNXRR-SNVBAGLBSA-N 0 3 226.751 3.355 20 0 BGADHN CCC[C@H](C)N(C)Cc1ccnc(Cl)c1 ZINC000051606263 384709877 /nfs/dbraw/zinc/70/98/77/384709877.db2.gz XULKGLOKJZNXRR-JTQLQIEISA-N 0 3 226.751 3.355 20 0 BGADHN CCCCN(Cc1ccnc(Cl)c1)C1CC1 ZINC000051606396 384710032 /nfs/dbraw/zinc/71/00/32/384710032.db2.gz QBWCAXPHTIWAQU-UHFFFAOYSA-N 0 3 238.762 3.500 20 0 BGADHN CC[C@H](NCc1cccn1C)c1ccccc1 ZINC000051626143 384676239 /nfs/dbraw/zinc/67/62/39/384676239.db2.gz FIKXAVIHJWWCMQ-HNNXBMFYSA-N 0 3 228.339 3.266 20 0 BGADHN CC[C@@H](NCc1cccn1C)c1ccccc1 ZINC000051626145 343627381 /nfs/dbraw/zinc/62/73/81/343627381.db2.gz FIKXAVIHJWWCMQ-OAHLLOKOSA-N 0 3 228.339 3.266 20 0 BGADHN CC[C@H](N[C@@H](C)c1cnn(C)c1)c1ccccc1 ZINC000051627309 384674576 /nfs/dbraw/zinc/67/45/76/384674576.db2.gz SCWISYUOCDRQFZ-WFASDCNBSA-N 0 3 243.354 3.222 20 0 BGADHN CC[C@@H](N[C@@H](C)c1cnn(C)c1)c1ccccc1 ZINC000051627310 343627409 /nfs/dbraw/zinc/62/74/09/343627409.db2.gz SCWISYUOCDRQFZ-SWLSCSKDSA-N 0 3 243.354 3.222 20 0 BGADHN CC[C@H](N[C@H](C)c1cnn(C)c1)c1ccccc1 ZINC000051627312 384676721 /nfs/dbraw/zinc/67/67/21/384676721.db2.gz SCWISYUOCDRQFZ-DOMZBBRYSA-N 0 3 243.354 3.222 20 0 BGADHN CC[C@@H](N[C@H](C)c1cnn(C)c1)c1ccccc1 ZINC000051627314 343627424 /nfs/dbraw/zinc/62/74/24/343627424.db2.gz SCWISYUOCDRQFZ-IUODEOHRSA-N 0 3 243.354 3.222 20 0 BGADHN CC[C@H](NCc1cnn(CC)c1)c1ccccc1 ZINC000051627632 384675702 /nfs/dbraw/zinc/67/57/02/384675702.db2.gz ZRECBYXHVYKANR-HNNXBMFYSA-N 0 3 243.354 3.144 20 0 BGADHN CC[C@@H](NCc1cnn(CC)c1)c1ccccc1 ZINC000051627633 343627388 /nfs/dbraw/zinc/62/73/88/343627388.db2.gz ZRECBYXHVYKANR-OAHLLOKOSA-N 0 3 243.354 3.144 20 0 BGADHN Cc1cccc(CCN[C@@H](C)c2ccccn2)c1 ZINC000051668705 179058702 /nfs/dbraw/zinc/05/87/02/179058702.db2.gz KTXHKQVGKRKDFR-AWEZNQCLSA-N 0 3 240.350 3.283 20 0 BGADHN Cc1cccc(CCN[C@H](C)c2ccccn2)c1 ZINC000051668706 179059505 /nfs/dbraw/zinc/05/95/05/179059505.db2.gz KTXHKQVGKRKDFR-CQSZACIVSA-N 0 3 240.350 3.283 20 0 BGADHN Cc1cccc(CCN[C@@H](C)c2ccco2)c1 ZINC000051668825 322851489 /nfs/dbraw/zinc/85/14/89/322851489.db2.gz WUUNEFRJBYTRIU-ZDUSSCGKSA-N 0 3 229.323 3.481 20 0 BGADHN Cc1cccc(CCN[C@H](C)c2ccco2)c1 ZINC000051668827 322851460 /nfs/dbraw/zinc/85/14/60/322851460.db2.gz WUUNEFRJBYTRIU-CYBMUJFWSA-N 0 3 229.323 3.481 20 0 BGADHN Cc1cccc(CCNCc2ccccc2F)c1 ZINC000051668907 384702267 /nfs/dbraw/zinc/70/22/67/384702267.db2.gz ZMOZQLRVWQQPDJ-UHFFFAOYSA-N 0 3 243.325 3.466 20 0 BGADHN Cc1nc(CNCCc2cccc(C)c2)cs1 ZINC000051669064 179057935 /nfs/dbraw/zinc/05/79/35/179057935.db2.gz KHLJEBGGCCPSMH-UHFFFAOYSA-N 0 3 246.379 3.092 20 0 BGADHN CCN(Cc1cccc(OC(C)C)c1)C1CC1 ZINC000051688272 358758132 /nfs/dbraw/zinc/75/81/32/358758132.db2.gz GZFCRMXNGVRHBT-UHFFFAOYSA-N 0 3 233.355 3.458 20 0 BGADHN CCN(CCCOC)Cc1ccccc1Cl ZINC000051688723 387799905 /nfs/dbraw/zinc/79/99/05/387799905.db2.gz XFOFFRIJDJSLLR-UHFFFAOYSA-N 0 3 241.762 3.198 20 0 BGADHN CCCCCN(Cc1cc(C)no1)C(C)C ZINC000051709140 350773406 /nfs/dbraw/zinc/77/34/06/350773406.db2.gz LRAMWLSEVQMNAD-UHFFFAOYSA-N 0 3 224.348 3.384 20 0 BGADHN CC(C)CN(C)Cc1ccc(F)cc1F ZINC000051709329 358760142 /nfs/dbraw/zinc/76/01/42/358760142.db2.gz DBAAKTSVINOEGF-UHFFFAOYSA-N 0 3 213.271 3.053 20 0 BGADHN CC(C)CN(C)Cc1ccc(F)c(F)c1 ZINC000051710003 358760662 /nfs/dbraw/zinc/76/06/62/358760662.db2.gz TZAIPXAHZIDRFJ-UHFFFAOYSA-N 0 3 213.271 3.053 20 0 BGADHN CCc1ccc(CNC2CCCCC2)o1 ZINC000051721150 345940666 /nfs/dbraw/zinc/94/06/66/345940666.db2.gz QUPPGTPXZFKOQZ-UHFFFAOYSA-N 0 3 207.317 3.264 20 0 BGADHN CCc1ccc(CNCCc2ccc(F)cc2)o1 ZINC000051721235 322851364 /nfs/dbraw/zinc/85/13/64/322851364.db2.gz PDPHBJWMJTYQDE-UHFFFAOYSA-N 0 3 247.313 3.313 20 0 BGADHN CCc1ccc(CNCCc2ccccc2F)o1 ZINC000051721337 358760160 /nfs/dbraw/zinc/76/01/60/358760160.db2.gz SMZGQPLXVXMTCS-UHFFFAOYSA-N 0 3 247.313 3.313 20 0 BGADHN CCc1ccc(CNCCc2ccccc2)o1 ZINC000051721403 358760186 /nfs/dbraw/zinc/76/01/86/358760186.db2.gz PPISTAKCGUKUSB-UHFFFAOYSA-N 0 3 229.323 3.174 20 0 BGADHN CCc1ccc(CNCCc2cccs2)o1 ZINC000051721452 398057898 /nfs/dbraw/zinc/05/78/98/398057898.db2.gz YLQMJYVMLFXBSJ-UHFFFAOYSA-N 0 3 235.352 3.236 20 0 BGADHN CCc1ccc(CNCC2CCCC2)o1 ZINC000051722213 345942775 /nfs/dbraw/zinc/94/27/75/345942775.db2.gz XTTOBPMGPDMRMF-UHFFFAOYSA-N 0 3 207.317 3.122 20 0 BGADHN CCc1ccc(CN[C@@H](C)CC(C)C)o1 ZINC000051722220 322851371 /nfs/dbraw/zinc/85/13/71/322851371.db2.gz LHJDKUWYGULREU-NSHDSACASA-N 0 3 209.333 3.366 20 0 BGADHN CCc1ccc(CN[C@H](C)CC(C)C)o1 ZINC000051722223 384702594 /nfs/dbraw/zinc/70/25/94/384702594.db2.gz LHJDKUWYGULREU-LLVKDONJSA-N 0 3 209.333 3.366 20 0 BGADHN CCc1ccc(CNCCc2cccc(F)c2)o1 ZINC000051722308 358760438 /nfs/dbraw/zinc/76/04/38/358760438.db2.gz IZKIRJXVKMRNKY-UHFFFAOYSA-N 0 3 247.313 3.313 20 0 BGADHN CCc1ccc(CN[C@@H](C)Cc2ccco2)o1 ZINC000051723059 631885632 /nfs/dbraw/zinc/88/56/32/631885632.db2.gz AUDVZYSPQPIHQY-NSHDSACASA-N 0 3 233.311 3.156 20 0 BGADHN CCc1ccc(CN[C@H](C)Cc2ccco2)o1 ZINC000051723061 631885613 /nfs/dbraw/zinc/88/56/13/631885613.db2.gz AUDVZYSPQPIHQY-LLVKDONJSA-N 0 3 233.311 3.156 20 0 BGADHN CCc1ccc(CNC[C@@H]2Cc3ccccc32)o1 ZINC000051724196 487783704 /nfs/dbraw/zinc/78/37/04/487783704.db2.gz WXZMVULWHYXLOU-ZDUSSCGKSA-N 0 3 241.334 3.272 20 0 BGADHN CCc1ccc(CNC[C@H]2Cc3ccccc32)o1 ZINC000051724200 487783984 /nfs/dbraw/zinc/78/39/84/487783984.db2.gz WXZMVULWHYXLOU-CYBMUJFWSA-N 0 3 241.334 3.272 20 0 BGADHN CCc1ccc(CNCCCC(C)C)o1 ZINC000051724639 345944419 /nfs/dbraw/zinc/94/44/19/345944419.db2.gz HXHBQPVGVOHGRL-UHFFFAOYSA-N 0 3 209.333 3.368 20 0 BGADHN CCc1ccc(CNC2(C)CCCC2)o1 ZINC000051724772 345944488 /nfs/dbraw/zinc/94/44/88/345944488.db2.gz KTYIHMOSXHJCNG-UHFFFAOYSA-N 0 3 207.317 3.264 20 0 BGADHN CCc1ccc(CNCCc2ccsc2)o1 ZINC000051724827 398058994 /nfs/dbraw/zinc/05/89/94/398058994.db2.gz NTPMNCCWNBBFSI-UHFFFAOYSA-N 0 3 235.352 3.236 20 0 BGADHN CCc1ccc(CNCCOc2ccccc2)o1 ZINC000051724920 358760369 /nfs/dbraw/zinc/76/03/69/358760369.db2.gz QAZGYKJHEFUTJS-UHFFFAOYSA-N 0 3 245.322 3.011 20 0 BGADHN CCc1ccc(CNC[C@H]2CC=CCC2)o1 ZINC000051725041 358760012 /nfs/dbraw/zinc/76/00/12/358760012.db2.gz SYIBBQAHQVRBCP-LBPRGKRZSA-N 0 3 219.328 3.288 20 0 BGADHN CCc1ccc(CNC[C@@H]2CC=CCC2)o1 ZINC000051725043 358760710 /nfs/dbraw/zinc/76/07/10/358760710.db2.gz SYIBBQAHQVRBCP-GFCCVEGCSA-N 0 3 219.328 3.288 20 0 BGADHN CCc1ccc(CNCCc2cccc(C)c2)o1 ZINC000051725136 384701939 /nfs/dbraw/zinc/70/19/39/384701939.db2.gz LMTCHBGPKHLMRV-UHFFFAOYSA-N 0 3 243.350 3.483 20 0 BGADHN CCN(Cc1cn2c(cccc2C)n1)CC(C)C ZINC000051740761 358761392 /nfs/dbraw/zinc/76/13/92/358761392.db2.gz MPAPPMIWYAIPLI-UHFFFAOYSA-N 0 3 245.370 3.121 20 0 BGADHN Cc1cc(CN2CC[C@H](C)[C@H]3CCCC[C@@H]32)no1 ZINC000051765970 350097518 /nfs/dbraw/zinc/09/75/18/350097518.db2.gz SUYGRLLEFFPCTR-GLQYFDAESA-N 0 3 248.370 3.384 20 0 BGADHN Cc1cc(CN2CC[C@H](C)[C@H]3CCCC[C@@H]32)on1 ZINC000051766041 350828623 /nfs/dbraw/zinc/82/86/23/350828623.db2.gz SFEMBPXYEYDFTN-GLQYFDAESA-N 0 3 248.370 3.384 20 0 BGADHN C[C@H](NC/C=C/c1ccccc1)c1cccnc1 ZINC000051789945 358761667 /nfs/dbraw/zinc/76/16/67/358761667.db2.gz WEKXNDVJKLTDRE-KVEVGEHQSA-N 0 3 238.334 3.446 20 0 BGADHN C[C@@H](NC/C=C/c1ccccc1)c1cccnc1 ZINC000051789948 358761156 /nfs/dbraw/zinc/76/11/56/358761156.db2.gz WEKXNDVJKLTDRE-VZUFXWRPSA-N 0 3 238.334 3.446 20 0 BGADHN C[C@H](NC/C=C/c1ccccc1)c1ccncc1 ZINC000051789949 490193966 /nfs/dbraw/zinc/19/39/66/490193966.db2.gz DZEFKSUMKQWILX-GPAKFWEMSA-N 0 3 238.334 3.446 20 0 BGADHN C[C@@H](NC/C=C/c1ccccc1)c1ccncc1 ZINC000051789951 490194057 /nfs/dbraw/zinc/19/40/57/490194057.db2.gz DZEFKSUMKQWILX-LHRNQBEKSA-N 0 3 238.334 3.446 20 0 BGADHN C[C@H](NC/C=C/c1ccccc1)c1ccccn1 ZINC000051789953 134684925 /nfs/dbraw/zinc/68/49/25/134684925.db2.gz MDTLNFRZAGHPOT-RNVIBTMRSA-N 0 3 238.334 3.446 20 0 BGADHN C[C@@H](NC/C=C/c1ccccc1)c1ccccn1 ZINC000051789955 358761074 /nfs/dbraw/zinc/76/10/74/358761074.db2.gz MDTLNFRZAGHPOT-DNGMOHDESA-N 0 3 238.334 3.446 20 0 BGADHN Cc1ncc(CNC/C=C/c2ccccc2)s1 ZINC000051790166 180150113 /nfs/dbraw/zinc/15/01/13/180150113.db2.gz NPLFZTVZROKZKL-VMPITWQZSA-N 0 3 244.363 3.255 20 0 BGADHN Cc1cccc(CNC/C=C/c2ccccc2)n1 ZINC000051790472 343262317 /nfs/dbraw/zinc/26/23/17/343262317.db2.gz UCSAUFAFFVZNKQ-UXBLZVDNSA-N 0 3 238.334 3.193 20 0 BGADHN CCC(CC)CN(CC)Cc1cc(C)no1 ZINC000051824709 411390380 /nfs/dbraw/zinc/39/03/80/411390380.db2.gz DWZBHILDCHZSIC-UHFFFAOYSA-N 0 3 224.348 3.241 20 0 BGADHN CC(C)Oc1cccc(CN(C)C2CC2)c1 ZINC000051902327 323191809 /nfs/dbraw/zinc/19/18/09/323191809.db2.gz BLQXRESKUSLOPJ-UHFFFAOYSA-N 0 3 219.328 3.068 20 0 BGADHN CCCC[C@@H](CC)CNCc1nccn1CC ZINC000051921051 358100411 /nfs/dbraw/zinc/10/04/11/358100411.db2.gz JGCTZJLEWWZAMY-CYBMUJFWSA-N 0 3 237.391 3.209 20 0 BGADHN CCCC[C@H](CC)CNCc1nccn1CC ZINC000051921054 358100662 /nfs/dbraw/zinc/10/06/62/358100662.db2.gz JGCTZJLEWWZAMY-ZDUSSCGKSA-N 0 3 237.391 3.209 20 0 BGADHN CCn1ccnc1CN[C@@H](C)CCCC(C)C ZINC000051921166 358767384 /nfs/dbraw/zinc/76/73/84/358767384.db2.gz CXBIDACCCUVTDC-ZDUSSCGKSA-N 0 3 237.391 3.207 20 0 BGADHN CCn1ccnc1CN[C@H](C)CCCC(C)C ZINC000051921168 358767807 /nfs/dbraw/zinc/76/78/07/358767807.db2.gz CXBIDACCCUVTDC-CYBMUJFWSA-N 0 3 237.391 3.207 20 0 BGADHN Cn1ccnc1CN[C@H]1CCCC[C@H]1C(C)(C)C ZINC000051921601 387803212 /nfs/dbraw/zinc/80/32/12/387803212.db2.gz UICOWZMLIILYGQ-OLZOCXBDSA-N 0 3 249.402 3.115 20 0 BGADHN Cn1ccnc1CN[C@H]1CCCC[C@@H]1C(C)(C)C ZINC000051921603 180748425 /nfs/dbraw/zinc/74/84/25/180748425.db2.gz UICOWZMLIILYGQ-STQMWFEESA-N 0 3 249.402 3.115 20 0 BGADHN Cn1ccnc1CN[C@@H]1CCCC[C@H]1C(C)(C)C ZINC000051921606 387802641 /nfs/dbraw/zinc/80/26/41/387802641.db2.gz UICOWZMLIILYGQ-CHWSQXEVSA-N 0 3 249.402 3.115 20 0 BGADHN Cn1ccnc1CN[C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000051921608 387802934 /nfs/dbraw/zinc/80/29/34/387802934.db2.gz UICOWZMLIILYGQ-QWHCGFSZSA-N 0 3 249.402 3.115 20 0 BGADHN CCn1ccnc1CNC(C)(C)CC(C)(C)C ZINC000051922851 172223233 /nfs/dbraw/zinc/22/32/33/172223233.db2.gz FEXMTQMTLPTGFF-UHFFFAOYSA-N 0 3 237.391 3.207 20 0 BGADHN CCCCCC[C@@H](C)NCc1nccn1CC ZINC000051923262 632012765 /nfs/dbraw/zinc/01/27/65/632012765.db2.gz OLLKNJBGRVQVGN-CYBMUJFWSA-N 0 3 237.391 3.352 20 0 BGADHN CCCCCC[C@H](C)NCc1nccn1CC ZINC000051923264 632013599 /nfs/dbraw/zinc/01/35/99/632013599.db2.gz OLLKNJBGRVQVGN-ZDUSSCGKSA-N 0 3 237.391 3.352 20 0 BGADHN CCN(C/C=C/Cl)CCc1ccccc1 ZINC000051923838 643680282 /nfs/dbraw/zinc/68/02/82/643680282.db2.gz GSHXFBGRVAANCM-UXBLZVDNSA-N 0 3 223.747 3.304 20 0 BGADHN CCC1CCC(CNCc2nccn2CC)CC1 ZINC000051923912 358101894 /nfs/dbraw/zinc/10/18/94/358101894.db2.gz UMWOQXQLRBLIMT-UHFFFAOYSA-N 0 3 249.402 3.209 20 0 BGADHN CCCC1CCC(NCc2nccn2CC)CC1 ZINC000051924179 358768706 /nfs/dbraw/zinc/76/87/06/358768706.db2.gz KVQGLSMQRAUMOT-UHFFFAOYSA-N 0 3 249.402 3.352 20 0 BGADHN CCN(CCc1ccccc1)Cc1cc(C)no1 ZINC000051924224 350870342 /nfs/dbraw/zinc/87/03/42/350870342.db2.gz LAGZEAHGVWOCQS-UHFFFAOYSA-N 0 3 244.338 3.048 20 0 BGADHN Cc1ccc(CN(CC(C)C)C2CC2)o1 ZINC000051967230 384703383 /nfs/dbraw/zinc/70/33/83/384703383.db2.gz KQKZIOKJJFSMPR-UHFFFAOYSA-N 0 3 207.317 3.208 20 0 BGADHN CCOCCN(C)Cc1cccc2ccccc21 ZINC000051993090 350885897 /nfs/dbraw/zinc/88/58/97/350885897.db2.gz WDYZKEXCKSASHC-UHFFFAOYSA-N 0 3 243.350 3.308 20 0 BGADHN CC(C)=CCN(C)CCc1ccccc1 ZINC000051999599 323192005 /nfs/dbraw/zinc/19/20/05/323192005.db2.gz RJJQFATWMYAKCP-UHFFFAOYSA-N 0 3 203.329 3.127 20 0 BGADHN CC(C)=CCN1CCC[C@H]1c1cc(C)no1 ZINC000052010066 358771286 /nfs/dbraw/zinc/77/12/86/358771286.db2.gz NERHENOJNUNRFR-LBPRGKRZSA-N 0 3 220.316 3.086 20 0 BGADHN CC(C)=CCN1CCC[C@@H]1c1cc(C)no1 ZINC000052010067 350908706 /nfs/dbraw/zinc/90/87/06/350908706.db2.gz NERHENOJNUNRFR-GFCCVEGCSA-N 0 3 220.316 3.086 20 0 BGADHN CCN(CC=C(C)C)Cc1ccc(OC)cc1 ZINC000052039682 350891181 /nfs/dbraw/zinc/89/11/81/350891181.db2.gz JICZLQGGCFDQPZ-UHFFFAOYSA-N 0 3 233.355 3.483 20 0 BGADHN COCCN(C)Cc1cc(Cl)cc(Cl)c1 ZINC000052070755 343631478 /nfs/dbraw/zinc/63/14/78/343631478.db2.gz UFFQDCKPNXLTMZ-UHFFFAOYSA-N 0 3 248.153 3.072 20 0 BGADHN CC(C)CN(C)[C@@H](C)c1ccccc1F ZINC000052074355 323192266 /nfs/dbraw/zinc/19/22/66/323192266.db2.gz BZQPVBCMZUSRMV-NSHDSACASA-N 0 3 209.308 3.475 20 0 BGADHN CC(C)CN(C)[C@H](C)c1ccccc1F ZINC000052074356 323192180 /nfs/dbraw/zinc/19/21/80/323192180.db2.gz BZQPVBCMZUSRMV-LLVKDONJSA-N 0 3 209.308 3.475 20 0 BGADHN CCCN(C)[C@@H](C)c1cc(F)ccc1F ZINC000052075419 358772463 /nfs/dbraw/zinc/77/24/63/358772463.db2.gz WWDBWUYXNJOHPW-VIFPVBQESA-N 0 3 213.271 3.368 20 0 BGADHN CCCN(C)[C@H](C)c1cc(F)ccc1F ZINC000052075420 350930959 /nfs/dbraw/zinc/93/09/59/350930959.db2.gz WWDBWUYXNJOHPW-SECBINFHSA-N 0 3 213.271 3.368 20 0 BGADHN CCCN(Cc1ccc(F)cc1F)C1CC1 ZINC000052076478 350934520 /nfs/dbraw/zinc/93/45/20/350934520.db2.gz UZLYFHBUBIRAMH-UHFFFAOYSA-N 0 3 225.282 3.339 20 0 BGADHN COCCN1CCC[C@@H]1c1cccc(Cl)c1 ZINC000052077629 174307365 /nfs/dbraw/zinc/30/73/65/174307365.db2.gz NITIIXNPNZQJJT-CYBMUJFWSA-N 0 3 239.746 3.123 20 0 BGADHN COCCN1CCC[C@H]1c1cccc(Cl)c1 ZINC000052077630 174307771 /nfs/dbraw/zinc/30/77/71/174307771.db2.gz NITIIXNPNZQJJT-ZDUSSCGKSA-N 0 3 239.746 3.123 20 0 BGADHN CN(Cc1ccccc1Cl)CC1CC1 ZINC000052106380 358772822 /nfs/dbraw/zinc/77/28/22/358772822.db2.gz JUDAQIBARDXWSC-UHFFFAOYSA-N 0 3 209.720 3.182 20 0 BGADHN COc1ccc(Cl)cc1CN(C)CC1CC1 ZINC000052106558 384718654 /nfs/dbraw/zinc/71/86/54/384718654.db2.gz XUCSHUYEHHXJGY-UHFFFAOYSA-N 0 3 239.746 3.190 20 0 BGADHN CN(Cc1cc(-c2ccccc2)no1)CC1CC1 ZINC000052128138 350936490 /nfs/dbraw/zinc/93/64/90/350936490.db2.gz SFSOURNDKHENDA-UHFFFAOYSA-N 0 3 242.322 3.183 20 0 BGADHN CN(Cc1ccc(Cl)s1)CC1CC1 ZINC000052128288 384717416 /nfs/dbraw/zinc/71/74/16/384717416.db2.gz BZXPSXKNBFNDAE-UHFFFAOYSA-N 0 3 215.749 3.243 20 0 BGADHN CCCN(CC)Cc1ccc(F)c(F)c1 ZINC000052131606 350936664 /nfs/dbraw/zinc/93/66/64/350936664.db2.gz VSXJLSRLSSOGDD-UHFFFAOYSA-N 0 3 213.271 3.197 20 0 BGADHN COCCCN(C)[C@@H](C)c1ccccc1Cl ZINC000052163221 350940504 /nfs/dbraw/zinc/94/05/04/350940504.db2.gz ATQRILHDYPKMNT-NSHDSACASA-N 0 3 241.762 3.369 20 0 BGADHN COCCCN(C)[C@H](C)c1ccccc1Cl ZINC000052163222 350940447 /nfs/dbraw/zinc/94/04/47/350940447.db2.gz ATQRILHDYPKMNT-LLVKDONJSA-N 0 3 241.762 3.369 20 0 BGADHN CCOc1ccccc1CN(C)CC(C)C ZINC000052164216 350940347 /nfs/dbraw/zinc/94/03/47/350940347.db2.gz WPGVNMZVPJBVHK-UHFFFAOYSA-N 0 3 221.344 3.173 20 0 BGADHN COc1ccccc1CN(CC(C)C)C1CC1 ZINC000052183454 350941288 /nfs/dbraw/zinc/94/12/88/350941288.db2.gz NYTJBHFILOHSII-UHFFFAOYSA-N 0 3 233.355 3.316 20 0 BGADHN CCCN(Cc1ccccc1OC)C1CC1 ZINC000052183702 350941599 /nfs/dbraw/zinc/94/15/99/350941599.db2.gz SLSHZXCQFQRESZ-UHFFFAOYSA-N 0 3 219.328 3.070 20 0 BGADHN CCc1ccccc1CN[C@@H](C)c1ccncc1 ZINC000052200318 384725131 /nfs/dbraw/zinc/72/51/31/384725131.db2.gz POXLCKLQBZUSSP-ZDUSSCGKSA-N 0 3 240.350 3.495 20 0 BGADHN CCc1ccccc1CN[C@H](C)c1ccncc1 ZINC000052200321 384725753 /nfs/dbraw/zinc/72/57/53/384725753.db2.gz POXLCKLQBZUSSP-CYBMUJFWSA-N 0 3 240.350 3.495 20 0 BGADHN CCc1ccccc1CN[C@@H](C)c1cccnc1 ZINC000052200397 384725538 /nfs/dbraw/zinc/72/55/38/384725538.db2.gz LDICSABNDBXFTN-ZDUSSCGKSA-N 0 3 240.350 3.495 20 0 BGADHN CCc1ccccc1CN[C@H](C)c1cccnc1 ZINC000052200400 384724834 /nfs/dbraw/zinc/72/48/34/384724834.db2.gz LDICSABNDBXFTN-CYBMUJFWSA-N 0 3 240.350 3.495 20 0 BGADHN CCc1ccccc1CNCc1cnc(C)s1 ZINC000052203020 384725721 /nfs/dbraw/zinc/72/57/21/384725721.db2.gz ULFBJTFKVBRVOC-UHFFFAOYSA-N 0 3 246.379 3.304 20 0 BGADHN FC(F)(F)Oc1ccccc1CNC1CCC1 ZINC000052206979 398191863 /nfs/dbraw/zinc/19/18/63/398191863.db2.gz FRUYCKUPJUIAPJ-UHFFFAOYSA-N 0 3 245.244 3.227 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CNC2CCC2)o1 ZINC000052206990 385243321 /nfs/dbraw/zinc/24/33/21/385243321.db2.gz KNNCPIMNSUXNDW-SKDRFNHKSA-N 0 3 205.301 3.045 20 0 BGADHN C[C@H]1C[C@@H]1c1ccc(CNC2CCC2)o1 ZINC000052206992 177351623 /nfs/dbraw/zinc/35/16/23/177351623.db2.gz KNNCPIMNSUXNDW-CABZTGNLSA-N 0 3 205.301 3.045 20 0 BGADHN C[C@@H]1C[C@H]1c1ccc(CNC2CCC2)o1 ZINC000052206995 385242766 /nfs/dbraw/zinc/24/27/66/385242766.db2.gz KNNCPIMNSUXNDW-BXKDBHETSA-N 0 3 205.301 3.045 20 0 BGADHN C[C@H]1C[C@H]1c1ccc(CNC2CCC2)o1 ZINC000052206998 385242547 /nfs/dbraw/zinc/24/25/47/385242547.db2.gz KNNCPIMNSUXNDW-JOYOIKCWSA-N 0 3 205.301 3.045 20 0 BGADHN c1ccc([C@H](NC2CCC2)c2ccccn2)cc1 ZINC000052207018 358776409 /nfs/dbraw/zinc/77/64/09/358776409.db2.gz PJRHRSGSRGINOI-INIZCTEOSA-N 0 3 238.334 3.313 20 0 BGADHN c1ccc([C@@H](NC2CCC2)c2ccccn2)cc1 ZINC000052207022 358776153 /nfs/dbraw/zinc/77/61/53/358776153.db2.gz PJRHRSGSRGINOI-MRXNPFEDSA-N 0 3 238.334 3.313 20 0 BGADHN CCOc1ccccc1[C@@H](C)NC1CCC1 ZINC000052207063 358776550 /nfs/dbraw/zinc/77/65/50/358776550.db2.gz USDBCBGGPCNVOW-LLVKDONJSA-N 0 3 219.328 3.288 20 0 BGADHN CCOc1ccccc1[C@H](C)NC1CCC1 ZINC000052207066 358776474 /nfs/dbraw/zinc/77/64/74/358776474.db2.gz USDBCBGGPCNVOW-NSHDSACASA-N 0 3 219.328 3.288 20 0 BGADHN c1c2ccccc2oc1CNC1CCC1 ZINC000052207635 385243638 /nfs/dbraw/zinc/24/36/38/385243638.db2.gz WPZWLVOYVLKNCW-UHFFFAOYSA-N 0 3 201.269 3.075 20 0 BGADHN Brc1cc(CNC2CCC2)cs1 ZINC000052208012 166095850 /nfs/dbraw/zinc/09/58/50/166095850.db2.gz OJILBGZSSHTYRK-UHFFFAOYSA-N 0 3 246.173 3.153 20 0 BGADHN CC(C)Oc1ccccc1CNC1CCC1 ZINC000052208091 167310755 /nfs/dbraw/zinc/31/07/55/167310755.db2.gz LDRICCVCXHGRTL-UHFFFAOYSA-N 0 3 219.328 3.116 20 0 BGADHN COc1ccc([C@H](C)NC2CCC2)c(F)c1 ZINC000052208283 175188527 /nfs/dbraw/zinc/18/85/27/175188527.db2.gz WJNPFHYMDLRQDT-VIFPVBQESA-N 0 3 223.291 3.037 20 0 BGADHN COc1ccc([C@@H](C)NC2CCC2)c(F)c1 ZINC000052208286 188299563 /nfs/dbraw/zinc/29/95/63/188299563.db2.gz WJNPFHYMDLRQDT-SECBINFHSA-N 0 3 223.291 3.037 20 0 BGADHN COc1cc(C)ccc1[C@@H](C)NC1CCC1 ZINC000052208412 343358738 /nfs/dbraw/zinc/35/87/38/343358738.db2.gz HYWWOKRPAVGGMY-LLVKDONJSA-N 0 3 219.328 3.207 20 0 BGADHN COc1cc(C)ccc1[C@H](C)NC1CCC1 ZINC000052208414 343358763 /nfs/dbraw/zinc/35/87/63/343358763.db2.gz HYWWOKRPAVGGMY-NSHDSACASA-N 0 3 219.328 3.207 20 0 BGADHN CCCn1c2ccccc2nc1CNC1CCC1 ZINC000052208733 384726052 /nfs/dbraw/zinc/72/60/52/384726052.db2.gz HPUCBZLBAPNFNI-UHFFFAOYSA-N 0 3 243.354 3.088 20 0 BGADHN Brc1ccsc1CNC1CCC1 ZINC000052209349 166102699 /nfs/dbraw/zinc/10/26/99/166102699.db2.gz RLSGYDQAHQVWLT-UHFFFAOYSA-N 0 3 246.173 3.153 20 0 BGADHN Fc1ccc(CNC2CCC2)c(Cl)c1 ZINC000052210552 384724450 /nfs/dbraw/zinc/72/44/50/384724450.db2.gz HWGBQFNSSHOUIK-UHFFFAOYSA-N 0 3 213.683 3.121 20 0 BGADHN COCCN1CCC[C@@H]1c1ccccc1Cl ZINC000052211025 350939578 /nfs/dbraw/zinc/93/95/78/350939578.db2.gz NIDFESPHTJEFNM-CYBMUJFWSA-N 0 3 239.746 3.123 20 0 BGADHN COCCN1CCC[C@H]1c1ccccc1Cl ZINC000052211027 350939370 /nfs/dbraw/zinc/93/93/70/350939370.db2.gz NIDFESPHTJEFNM-ZDUSSCGKSA-N 0 3 239.746 3.123 20 0 BGADHN CCN(Cc1cccc(Cl)c1)[C@@H](C)COC ZINC000052218951 323192738 /nfs/dbraw/zinc/19/27/38/323192738.db2.gz OKDLJVLPWWHPAH-NSHDSACASA-N 0 3 241.762 3.197 20 0 BGADHN CCN(Cc1cccc(Cl)c1)[C@H](C)COC ZINC000052218952 323192866 /nfs/dbraw/zinc/19/28/66/323192866.db2.gz OKDLJVLPWWHPAH-LLVKDONJSA-N 0 3 241.762 3.197 20 0 BGADHN CCN(Cc1ccc(Cl)cc1)[C@@H](C)COC ZINC000052219725 350939358 /nfs/dbraw/zinc/93/93/58/350939358.db2.gz MOSWFZVLMAXVAQ-NSHDSACASA-N 0 3 241.762 3.197 20 0 BGADHN CCN(Cc1ccc(Cl)cc1)[C@H](C)COC ZINC000052219726 350939451 /nfs/dbraw/zinc/93/94/51/350939451.db2.gz MOSWFZVLMAXVAQ-LLVKDONJSA-N 0 3 241.762 3.197 20 0 BGADHN CCN(Cc1ccc(Cl)s1)[C@@H](C)COC ZINC000052219873 343372880 /nfs/dbraw/zinc/37/28/80/343372880.db2.gz SYLXDKHGNIZYQY-VIFPVBQESA-N 0 3 247.791 3.258 20 0 BGADHN CCN(Cc1ccc(Cl)s1)[C@H](C)COC ZINC000052219874 343372934 /nfs/dbraw/zinc/37/29/34/343372934.db2.gz SYLXDKHGNIZYQY-SECBINFHSA-N 0 3 247.791 3.258 20 0 BGADHN CC(C)CCN(C)Cc1nc2ccccc2o1 ZINC000052246114 323192907 /nfs/dbraw/zinc/19/29/07/323192907.db2.gz IHZRWTBHGUAURV-UHFFFAOYSA-N 0 3 232.327 3.306 20 0 BGADHN Cc1cccn2cc(CN(C)CCC(C)C)nc12 ZINC000052246144 350971418 /nfs/dbraw/zinc/97/14/18/350971418.db2.gz ATKJULCUMLGQMW-UHFFFAOYSA-N 0 3 245.370 3.121 20 0 BGADHN Cc1ccc2nc(CN(C)CCC(C)C)cn2c1 ZINC000052246223 350971428 /nfs/dbraw/zinc/97/14/28/350971428.db2.gz ZOUQGNQESTXFSF-UHFFFAOYSA-N 0 3 245.370 3.121 20 0 BGADHN Cc1cccc2nc(CN(C)CCC(C)C)cn21 ZINC000052246273 350972256 /nfs/dbraw/zinc/97/22/56/350972256.db2.gz XKTDODPVDNJOOP-UHFFFAOYSA-N 0 3 245.370 3.121 20 0 BGADHN CC[C@H](N[C@@H]1C[C@@H]1C)c1ccccc1OC ZINC000052273729 358777189 /nfs/dbraw/zinc/77/71/89/358777189.db2.gz BCQOUODDZUYNHO-WCFLWFBJSA-N 0 3 219.328 3.144 20 0 BGADHN CC[C@H](N[C@H]1C[C@@H]1C)c1ccccc1OC ZINC000052273732 358777197 /nfs/dbraw/zinc/77/71/97/358777197.db2.gz BCQOUODDZUYNHO-DRZSPHRISA-N 0 3 219.328 3.144 20 0 BGADHN CCC1CCN(Cc2cccc(OC)c2)CC1 ZINC000052279522 350978111 /nfs/dbraw/zinc/97/81/11/350978111.db2.gz MHVVRNFSHORKJO-UHFFFAOYSA-N 0 3 233.355 3.317 20 0 BGADHN C[C@H](NCc1cscn1)C1CCCCC1 ZINC000052334215 385289144 /nfs/dbraw/zinc/28/91/44/385289144.db2.gz KSRWGHNPEKMIFM-JTQLQIEISA-N 0 3 224.373 3.202 20 0 BGADHN C[C@@H](NCc1cscn1)C1CCCCC1 ZINC000052334218 385288832 /nfs/dbraw/zinc/28/88/32/385288832.db2.gz KSRWGHNPEKMIFM-SNVBAGLBSA-N 0 3 224.373 3.202 20 0 BGADHN CC[C@H](NCc1nccn1CC)C1CCCCC1 ZINC000052336052 387805517 /nfs/dbraw/zinc/80/55/17/387805517.db2.gz FUKKHLJUBDVEMB-AWEZNQCLSA-N 0 3 249.402 3.352 20 0 BGADHN CC[C@@H](NCc1nccn1CC)C1CCCCC1 ZINC000052336055 358779732 /nfs/dbraw/zinc/77/97/32/358779732.db2.gz FUKKHLJUBDVEMB-CQSZACIVSA-N 0 3 249.402 3.352 20 0 BGADHN Cc1nc(CN[C@@H](C)C2CCCCC2)oc1C ZINC000052338216 358780089 /nfs/dbraw/zinc/78/00/89/358780089.db2.gz BNSXCCMYHZATRO-NSHDSACASA-N 0 3 236.359 3.350 20 0 BGADHN Cc1nc(CN[C@H](C)C2CCCCC2)oc1C ZINC000052338218 358779771 /nfs/dbraw/zinc/77/97/71/358779771.db2.gz BNSXCCMYHZATRO-LLVKDONJSA-N 0 3 236.359 3.350 20 0 BGADHN CN(Cc1ccc(Cl)c2cccnc12)C1CC1 ZINC000052608045 323193788 /nfs/dbraw/zinc/19/37/88/323193788.db2.gz YNUOLYWQBIXZKX-UHFFFAOYSA-N 0 3 246.741 3.482 20 0 BGADHN CCCN(Cc1ccnc(Cl)c1)C1CC1 ZINC000052709228 169180091 /nfs/dbraw/zinc/18/00/91/169180091.db2.gz BEZLXYJKJZASKV-UHFFFAOYSA-N 0 3 224.735 3.109 20 0 BGADHN CCN(Cc1ccnc(Cl)c1)CC(C)C ZINC000052709247 346367488 /nfs/dbraw/zinc/36/74/88/346367488.db2.gz DEZHSUSDSZFWDT-UHFFFAOYSA-N 0 3 226.751 3.213 20 0 BGADHN CC[C@@H](C)CN(C)Cc1ccnc(Cl)c1 ZINC000052709264 170698535 /nfs/dbraw/zinc/69/85/35/170698535.db2.gz KMRILOMKFWULBK-SNVBAGLBSA-N 0 3 226.751 3.213 20 0 BGADHN CC[C@H](C)CN(C)Cc1ccnc(Cl)c1 ZINC000052709265 171274406 /nfs/dbraw/zinc/27/44/06/171274406.db2.gz KMRILOMKFWULBK-JTQLQIEISA-N 0 3 226.751 3.213 20 0 BGADHN CCN(Cc1cccnc1Cl)C1CCCC1 ZINC000052709279 346367330 /nfs/dbraw/zinc/36/73/30/346367330.db2.gz YVAWNEBTFGOOFV-UHFFFAOYSA-N 0 3 238.762 3.500 20 0 BGADHN CC(C)[C@@H](C)N(C)Cc1ccnc(Cl)c1 ZINC000052709296 167369083 /nfs/dbraw/zinc/36/90/83/167369083.db2.gz QTIKWOVOQQHENN-SNVBAGLBSA-N 0 3 226.751 3.211 20 0 BGADHN CC(C)[C@H](C)N(C)Cc1ccnc(Cl)c1 ZINC000052709297 188334098 /nfs/dbraw/zinc/33/40/98/188334098.db2.gz QTIKWOVOQQHENN-JTQLQIEISA-N 0 3 226.751 3.211 20 0 BGADHN CC[C@@H]1CCCN1Cc1ccnc(Cl)c1 ZINC000052709347 351126247 /nfs/dbraw/zinc/12/62/47/351126247.db2.gz XRUWXJGBJKZPDF-LLVKDONJSA-N 0 3 224.735 3.109 20 0 BGADHN CC[C@H]1CCCN1Cc1ccnc(Cl)c1 ZINC000052709348 351126354 /nfs/dbraw/zinc/12/63/54/351126354.db2.gz XRUWXJGBJKZPDF-NSHDSACASA-N 0 3 224.735 3.109 20 0 BGADHN CCCN(Cc1cccnc1Cl)CC1CC1 ZINC000052709499 169179518 /nfs/dbraw/zinc/17/95/18/169179518.db2.gz CAXASTVVWKRNQG-UHFFFAOYSA-N 0 3 238.762 3.357 20 0 BGADHN CC(C)N(Cc1cccnc1Cl)CC1CC1 ZINC000052716750 632883507 /nfs/dbraw/zinc/88/35/07/632883507.db2.gz VDLCWQNNYXTKNQ-UHFFFAOYSA-N 0 3 238.762 3.355 20 0 BGADHN CN(Cc1ccnc(Cl)c1)CC(C)(C)C ZINC000052717282 385450953 /nfs/dbraw/zinc/45/09/53/385450953.db2.gz MMTXYDYOJIESTA-UHFFFAOYSA-N 0 3 226.751 3.213 20 0 BGADHN Cc1cc(CN(CC(C)C)CC(C)C)no1 ZINC000052856083 351074696 /nfs/dbraw/zinc/07/46/96/351074696.db2.gz RVQGVXGNPJSJFQ-UHFFFAOYSA-N 0 3 224.348 3.097 20 0 BGADHN CCCCN(CC)CC(=O)Nc1ccccc1C ZINC000052877642 384750540 /nfs/dbraw/zinc/75/05/40/384750540.db2.gz MYLBNQNIALDEAO-UHFFFAOYSA-N 0 3 248.370 3.056 20 0 BGADHN CCCCN(CC)Cc1cn2cc(C)ccc2n1 ZINC000052877855 488019172 /nfs/dbraw/zinc/01/91/72/488019172.db2.gz FZJWWEOSBKYNAH-UHFFFAOYSA-N 0 3 245.370 3.265 20 0 BGADHN CCCCN(CC)Cc1cn2cccc(C)c2n1 ZINC000052877857 488019184 /nfs/dbraw/zinc/01/91/84/488019184.db2.gz JHCBAESXAOXYIS-UHFFFAOYSA-N 0 3 245.370 3.265 20 0 BGADHN CC(C)NCc1cc(C2CC2)ccc1F ZINC000052886526 167117512 /nfs/dbraw/zinc/11/75/12/167117512.db2.gz YTHYPOCQMMVZRU-UHFFFAOYSA-N 0 3 207.292 3.201 20 0 BGADHN CC(C)NCc1ccc(C2CC2)cc1F ZINC000052886537 167119727 /nfs/dbraw/zinc/11/97/27/167119727.db2.gz AKRKFLMSOLDRRT-UHFFFAOYSA-N 0 3 207.292 3.201 20 0 BGADHN CCCCN(CC)Cc1nc2ccccc2o1 ZINC000052889525 488019135 /nfs/dbraw/zinc/01/91/35/488019135.db2.gz VTTKNZLKPBIIRH-UHFFFAOYSA-N 0 3 232.327 3.450 20 0 BGADHN CCCN(Cc1ccccc1F)CC1CC1 ZINC000052890691 351075265 /nfs/dbraw/zinc/07/52/65/351075265.db2.gz FGEGAKQTMLDXIY-UHFFFAOYSA-N 0 3 221.319 3.448 20 0 BGADHN CCCN(Cc1nc2ccccc2o1)CC1CC1 ZINC000052890991 487945252 /nfs/dbraw/zinc/94/52/52/487945252.db2.gz ROEDYCUQMXTNEM-UHFFFAOYSA-N 0 3 244.338 3.450 20 0 BGADHN CCOc1ccc(CN(C)CC=C(C)C)cc1 ZINC000052892060 487975579 /nfs/dbraw/zinc/97/55/79/487975579.db2.gz XVDGBVHEVUINRK-UHFFFAOYSA-N 0 3 233.355 3.483 20 0 BGADHN COc1cccc(CN(C)CC=C(C)C)c1 ZINC000052893204 351076406 /nfs/dbraw/zinc/07/64/06/351076406.db2.gz KJTYWYIKSUFBIB-UHFFFAOYSA-N 0 3 219.328 3.093 20 0 BGADHN CCc1ccc(CN(C)CCOC(C)C)cc1 ZINC000052896004 351076736 /nfs/dbraw/zinc/07/67/36/351076736.db2.gz KROYRZZLRZYFEG-UHFFFAOYSA-N 0 3 235.371 3.106 20 0 BGADHN CC(C)CCN(C)Cc1ccccc1F ZINC000052897081 487946919 /nfs/dbraw/zinc/94/69/19/487946919.db2.gz CYGUKHVJUGUDRW-UHFFFAOYSA-N 0 3 209.308 3.304 20 0 BGADHN CC(C)OCCN(C)Cc1ccc(Cl)cc1 ZINC000052927525 351079453 /nfs/dbraw/zinc/07/94/53/351079453.db2.gz YNHTXUTVOHJYBG-UHFFFAOYSA-N 0 3 241.762 3.197 20 0 BGADHN CC(C)OCCN(C)Cc1cccc(Cl)c1 ZINC000052927553 351079341 /nfs/dbraw/zinc/07/93/41/351079341.db2.gz UJKDGXBOIAOYKE-UHFFFAOYSA-N 0 3 241.762 3.197 20 0 BGADHN CC(C)=CCN(C)Cc1cccc(F)c1 ZINC000052928211 487955102 /nfs/dbraw/zinc/95/51/02/487955102.db2.gz NVHPDIAHRLMKAN-UHFFFAOYSA-N 0 3 207.292 3.224 20 0 BGADHN CC(C)=CCN(C)Cc1ccc(F)cc1 ZINC000052928231 351079487 /nfs/dbraw/zinc/07/94/87/351079487.db2.gz DKIXFHINTMJTMR-UHFFFAOYSA-N 0 3 207.292 3.224 20 0 BGADHN CC(C)=CCN(C)Cc1ccc(C)cc1 ZINC000052928615 351079578 /nfs/dbraw/zinc/07/95/78/351079578.db2.gz YWRFEGNGWFTGJC-UHFFFAOYSA-N 0 3 203.329 3.393 20 0 BGADHN CCC(CC)(CO)NCc1cc2ccccc2o1 ZINC000053047491 168330177 /nfs/dbraw/zinc/33/01/77/168330177.db2.gz OICWTJDRJADYNQ-UHFFFAOYSA-N 0 3 247.338 3.074 20 0 BGADHN CCC(CC)(CO)NCc1ccc(Cl)s1 ZINC000053047501 168330512 /nfs/dbraw/zinc/33/05/12/168330512.db2.gz GAUAPOGOAIPQEL-UHFFFAOYSA-N 0 3 247.791 3.042 20 0 BGADHN CN(Cc1ccco1)CC1CCCCC1 ZINC000053066269 323196524 /nfs/dbraw/zinc/19/65/24/323196524.db2.gz ULVHCXWEIMMGTG-UHFFFAOYSA-N 0 3 207.317 3.292 20 0 BGADHN CN(CCCc1ccccc1)Cc1ccco1 ZINC000053066487 353508390 /nfs/dbraw/zinc/50/83/90/353508390.db2.gz VTHOAPCSBAMHDI-UHFFFAOYSA-N 0 3 229.323 3.344 20 0 BGADHN CC(C)OCCN1CCC[C@@H]1c1cccs1 ZINC000053096090 167231170 /nfs/dbraw/zinc/23/11/70/167231170.db2.gz HKIDSWNEPGOXEO-GFCCVEGCSA-N 0 3 239.384 3.310 20 0 BGADHN CC(C)OCCN1CCC[C@H]1c1cccs1 ZINC000053096092 167232767 /nfs/dbraw/zinc/23/27/67/167232767.db2.gz HKIDSWNEPGOXEO-LBPRGKRZSA-N 0 3 239.384 3.310 20 0 BGADHN COc1ccc(CN(C)CCC(C)C)cc1F ZINC000053096837 488024368 /nfs/dbraw/zinc/02/43/68/488024368.db2.gz ZZNLWRJUASGQHN-UHFFFAOYSA-N 0 3 239.334 3.312 20 0 BGADHN CC(C)=CCN(C)Cc1sccc1C ZINC000053098806 487995644 /nfs/dbraw/zinc/99/56/44/487995644.db2.gz YPYFTHNYWAPEMF-UHFFFAOYSA-N 0 3 209.358 3.455 20 0 BGADHN CCN(CC=C(C)C)Cc1ccc2c(c1)OCO2 ZINC000053133232 488003857 /nfs/dbraw/zinc/00/38/57/488003857.db2.gz COVVDVKZAHSQME-UHFFFAOYSA-N 0 3 247.338 3.203 20 0 BGADHN Cc1ccc(CCNCc2ccco2)cc1C ZINC000053138590 488004413 /nfs/dbraw/zinc/00/44/13/488004413.db2.gz ACDODCLQFNXHTE-UHFFFAOYSA-N 0 3 229.323 3.229 20 0 BGADHN Clc1cccc(CNC[C@@H]2CCC=CO2)c1 ZINC000053148239 384767027 /nfs/dbraw/zinc/76/70/27/384767027.db2.gz FYHPHJPWTRMOLT-ZDUSSCGKSA-N 0 3 237.730 3.122 20 0 BGADHN Clc1cccc(CNC[C@H]2CCC=CO2)c1 ZINC000053148242 384766661 /nfs/dbraw/zinc/76/66/61/384766661.db2.gz FYHPHJPWTRMOLT-CYBMUJFWSA-N 0 3 237.730 3.122 20 0 BGADHN CC(C)OCCN1CCc2sccc2[C@H]1C ZINC000053150788 343644306 /nfs/dbraw/zinc/64/43/06/343644306.db2.gz PTYVKJPICYTASA-LLVKDONJSA-N 0 3 239.384 3.092 20 0 BGADHN CC(C)OCCN1CCc2sccc2[C@@H]1C ZINC000053150790 358106948 /nfs/dbraw/zinc/10/69/48/358106948.db2.gz PTYVKJPICYTASA-NSHDSACASA-N 0 3 239.384 3.092 20 0 BGADHN Fc1ccc(CN[C@@H]2CCSC2)cc1Cl ZINC000053155365 384810402 /nfs/dbraw/zinc/81/04/02/384810402.db2.gz PECCPYGCPHHRLX-SECBINFHSA-N 0 3 245.750 3.074 20 0 BGADHN Fc1ccc(CN[C@H]2CCSC2)cc1Cl ZINC000053155368 384809699 /nfs/dbraw/zinc/80/96/99/384809699.db2.gz PECCPYGCPHHRLX-VIFPVBQESA-N 0 3 245.750 3.074 20 0 BGADHN CC[C@@H](C)c1csc([C@@H]2CCCCN2)n1 ZINC000053251540 411158638 /nfs/dbraw/zinc/15/86/38/411158638.db2.gz QKOLAELTNRWKJY-ZJUUUORDSA-N 0 3 224.373 3.471 20 0 BGADHN CC[C@H](C)c1csc([C@@H]2CCCCN2)n1 ZINC000053251542 411158609 /nfs/dbraw/zinc/15/86/09/411158609.db2.gz QKOLAELTNRWKJY-UWVGGRQHSA-N 0 3 224.373 3.471 20 0 BGADHN CC[C@@H](C)c1csc([C@H]2CCCCN2)n1 ZINC000053251545 411158743 /nfs/dbraw/zinc/15/87/43/411158743.db2.gz QKOLAELTNRWKJY-NXEZZACHSA-N 0 3 224.373 3.471 20 0 BGADHN CC[C@H](C)c1csc([C@H]2CCCCN2)n1 ZINC000053251547 411158800 /nfs/dbraw/zinc/15/88/00/411158800.db2.gz QKOLAELTNRWKJY-VHSXEESVSA-N 0 3 224.373 3.471 20 0 BGADHN c1sc([C@@H]2CCCCN2)nc1-c1cccnc1 ZINC000053251748 411158412 /nfs/dbraw/zinc/15/84/12/411158412.db2.gz UMWSLHMOUZXSJC-NSHDSACASA-N 0 3 245.351 3.020 20 0 BGADHN c1sc([C@H]2CCCCN2)nc1-c1cccnc1 ZINC000053251750 411158396 /nfs/dbraw/zinc/15/83/96/411158396.db2.gz UMWSLHMOUZXSJC-LLVKDONJSA-N 0 3 245.351 3.020 20 0 BGADHN CC(C)c1csc([C@@H]2CCCCN2)n1 ZINC000053251916 411158631 /nfs/dbraw/zinc/15/86/31/411158631.db2.gz YCPQHVHAJLFEHU-VIFPVBQESA-N 0 3 210.346 3.081 20 0 BGADHN CC(C)c1csc([C@H]2CCCCN2)n1 ZINC000053251917 411158594 /nfs/dbraw/zinc/15/85/94/411158594.db2.gz YCPQHVHAJLFEHU-SECBINFHSA-N 0 3 210.346 3.081 20 0 BGADHN CCc1sc(CNC)nc1-c1ccccc1 ZINC000053293981 172129078 /nfs/dbraw/zinc/12/90/78/172129078.db2.gz CASQMCBYVILQOG-UHFFFAOYSA-N 0 3 232.352 3.092 20 0 BGADHN CNCc1nc2c(s1)CCCc1ccccc1-2 ZINC000053294015 411166105 /nfs/dbraw/zinc/16/61/05/411166105.db2.gz SJJCBSHOIDKVSE-UHFFFAOYSA-N 0 3 244.363 3.018 20 0 BGADHN CCc1ccc(-c2nc(CNC)sc2C)cc1 ZINC000053294162 387022787 /nfs/dbraw/zinc/02/27/87/387022787.db2.gz LHIYAHXMZMGOQD-UHFFFAOYSA-N 0 3 246.379 3.400 20 0 BGADHN CCNCc1nc(-c2ccc(CC)cc2)cs1 ZINC000053294241 170130691 /nfs/dbraw/zinc/13/06/91/170130691.db2.gz ZZBMMHTVQMWFIB-UHFFFAOYSA-N 0 3 246.379 3.482 20 0 BGADHN CCNCc1nc(-c2ccccc2)c(CC)s1 ZINC000053294259 170130219 /nfs/dbraw/zinc/13/02/19/170130219.db2.gz PNKWYOJWNOCOPY-UHFFFAOYSA-N 0 3 246.379 3.482 20 0 BGADHN CCNCc1nc(-c2ccc(C)s2)cs1 ZINC000053294267 170130896 /nfs/dbraw/zinc/13/08/96/170130896.db2.gz FUVKBHGOGXEUTL-UHFFFAOYSA-N 0 3 238.381 3.290 20 0 BGADHN CCNCc1nc(-c2ccccc2F)cs1 ZINC000053294293 170130938 /nfs/dbraw/zinc/13/09/38/170130938.db2.gz PNKLCLFYGXXSAN-UHFFFAOYSA-N 0 3 236.315 3.059 20 0 BGADHN CCNCc1nc(-c2ccccc2)c(C)s1 ZINC000053294394 170130581 /nfs/dbraw/zinc/13/05/81/170130581.db2.gz NHBBWACKQIRRIJ-UHFFFAOYSA-N 0 3 232.352 3.228 20 0 BGADHN CCNCc1nc(C2CCCCC2)cs1 ZINC000053294519 170132069 /nfs/dbraw/zinc/13/20/69/170132069.db2.gz LAEOLYPQBHOFCF-UHFFFAOYSA-N 0 3 224.373 3.300 20 0 BGADHN CCCNCc1nc(-c2ccccc2)cs1 ZINC000053294584 169269542 /nfs/dbraw/zinc/26/95/42/169269542.db2.gz BGBUDTAGOMJYRN-UHFFFAOYSA-N 0 3 232.352 3.310 20 0 BGADHN Cc1sc(CNC(C)C)nc1C(C)C ZINC000053295280 397832163 /nfs/dbraw/zinc/83/21/63/397832163.db2.gz HTCLSSPCASZHIP-UHFFFAOYSA-N 0 3 212.362 3.073 20 0 BGADHN CC(C)(C)NCc1nc(C(C)(C)C)cs1 ZINC000053295620 633232165 /nfs/dbraw/zinc/23/21/65/633232165.db2.gz HEXKJWLETCCLJE-UHFFFAOYSA-N 0 3 226.389 3.329 20 0 BGADHN CCc1ccc(-c2nc3c(s2)CNCC3)cc1 ZINC000053335651 411172825 /nfs/dbraw/zinc/17/28/25/411172825.db2.gz QTLZNIPZSVWXBM-UHFFFAOYSA-N 0 3 244.363 3.018 20 0 BGADHN Cc1ccc(-c2nc3c(s2)CNCC3)cc1C ZINC000053335975 178337758 /nfs/dbraw/zinc/33/77/58/178337758.db2.gz KKERZEXSBRVSRF-UHFFFAOYSA-N 0 3 244.363 3.073 20 0 BGADHN Cc1ccc(C)c(-c2nc3c(s2)CNCC3)c1 ZINC000053336009 411172635 /nfs/dbraw/zinc/17/26/35/411172635.db2.gz FJSIRSZFTRKNNN-UHFFFAOYSA-N 0 3 244.363 3.073 20 0 BGADHN C[C@H](NCCN(C)c1ccccc1)c1ccco1 ZINC000053343555 384781342 /nfs/dbraw/zinc/78/13/42/384781342.db2.gz LCABRHANVKXVCJ-ZDUSSCGKSA-N 0 3 244.338 3.067 20 0 BGADHN C[C@@H](NCCN(C)c1ccccc1)c1ccco1 ZINC000053343556 384784506 /nfs/dbraw/zinc/78/45/06/384784506.db2.gz LCABRHANVKXVCJ-CYBMUJFWSA-N 0 3 244.338 3.067 20 0 BGADHN Cc1ccc(C)c(CN(C)C[C@@H]2CCCCO2)c1 ZINC000053350979 363121794 /nfs/dbraw/zinc/12/17/94/363121794.db2.gz GBNUXXCKTJMZHP-INIZCTEOSA-N 0 3 247.382 3.304 20 0 BGADHN Cc1ccc(C)c(CN(C)C[C@H]2CCCCO2)c1 ZINC000053350981 363121957 /nfs/dbraw/zinc/12/19/57/363121957.db2.gz GBNUXXCKTJMZHP-MRXNPFEDSA-N 0 3 247.382 3.304 20 0 BGADHN COCCN(C)Cc1ccc(C(C)(C)C)cc1 ZINC000053403336 363247615 /nfs/dbraw/zinc/24/76/15/363247615.db2.gz GHMWXZJCZZSWIP-UHFFFAOYSA-N 0 3 235.371 3.062 20 0 BGADHN COCCN(C)Cc1ccc(Cl)c(Cl)c1 ZINC000053419623 488049115 /nfs/dbraw/zinc/04/91/15/488049115.db2.gz LDVZBYQNALMVLP-UHFFFAOYSA-N 0 3 248.153 3.072 20 0 BGADHN CC(C)=CCN(C)CCOc1ccccc1F ZINC000053421168 488072354 /nfs/dbraw/zinc/07/23/54/488072354.db2.gz GBOARSDJJXYYGU-UHFFFAOYSA-N 0 3 237.318 3.103 20 0 BGADHN CC(C)OCCN(C)[C@@H](C)c1ccc(F)cc1 ZINC000053422780 363280543 /nfs/dbraw/zinc/28/05/43/363280543.db2.gz XWNYFHIEJOSHJW-LBPRGKRZSA-N 0 3 239.334 3.244 20 0 BGADHN CC(C)OCCN(C)[C@H](C)c1ccc(F)cc1 ZINC000053422783 363279836 /nfs/dbraw/zinc/27/98/36/363279836.db2.gz XWNYFHIEJOSHJW-GFCCVEGCSA-N 0 3 239.334 3.244 20 0 BGADHN C[C@@H](c1cccs1)N(C)C[C@@H]1CCCCO1 ZINC000053427921 363284538 /nfs/dbraw/zinc/28/45/38/363284538.db2.gz BXYSZOUZBCPEHH-RYUDHWBXSA-N 0 3 239.384 3.310 20 0 BGADHN C[C@H](c1cccs1)N(C)C[C@@H]1CCCCO1 ZINC000053427925 363284311 /nfs/dbraw/zinc/28/43/11/363284311.db2.gz BXYSZOUZBCPEHH-NEPJUHHUSA-N 0 3 239.384 3.310 20 0 BGADHN CC(C)OCCN(C)[C@@H](C)c1cccs1 ZINC000053429497 363286107 /nfs/dbraw/zinc/28/61/07/363286107.db2.gz JJOSMJDJGRAGSO-NSHDSACASA-N 0 3 227.373 3.166 20 0 BGADHN CC(C)OCCN(C)[C@H](C)c1cccs1 ZINC000053429499 363286791 /nfs/dbraw/zinc/28/67/91/363286791.db2.gz JJOSMJDJGRAGSO-LLVKDONJSA-N 0 3 227.373 3.166 20 0 BGADHN CN(Cc1ccccc1F)C1CCCC1 ZINC000053435267 384858716 /nfs/dbraw/zinc/85/87/16/384858716.db2.gz SVPWUEWRZKFQKW-UHFFFAOYSA-N 0 3 207.292 3.200 20 0 BGADHN Cc1cccn2cc(CN(C)C3CCCC3)nc12 ZINC000053435341 491083288 /nfs/dbraw/zinc/08/32/88/491083288.db2.gz ZWDSSDGUIOXLOA-UHFFFAOYSA-N 0 3 243.354 3.017 20 0 BGADHN Cc1ccc2nc(CN(C)C3CCCC3)cn2c1 ZINC000053435426 384790417 /nfs/dbraw/zinc/79/04/17/384790417.db2.gz XOGQPKAIVFANNA-UHFFFAOYSA-N 0 3 243.354 3.017 20 0 BGADHN CN(Cc1cccc(F)c1F)C1CCCC1 ZINC000053436103 384860615 /nfs/dbraw/zinc/86/06/15/384860615.db2.gz XJMZBQPNWJXABN-UHFFFAOYSA-N 0 3 225.282 3.339 20 0 BGADHN CN(Cc1cc(-c2ccco2)on1)C1CCCC1 ZINC000053436355 384789168 /nfs/dbraw/zinc/78/91/68/384789168.db2.gz PCEJEWIJELMXRN-UHFFFAOYSA-N 0 3 246.310 3.309 20 0 BGADHN C[C@H](NCCOC1CCCC1)c1cccs1 ZINC000053543591 136210183 /nfs/dbraw/zinc/21/01/83/136210183.db2.gz FDWYRNROUQFWRK-NSHDSACASA-N 0 3 239.384 3.358 20 0 BGADHN C[C@@H](NCCOC1CCCC1)c1cccs1 ZINC000053543592 134744038 /nfs/dbraw/zinc/74/40/38/134744038.db2.gz FDWYRNROUQFWRK-LLVKDONJSA-N 0 3 239.384 3.358 20 0 BGADHN c1csc(CNCCOCc2ccccc2)c1 ZINC000053543621 384793799 /nfs/dbraw/zinc/79/37/99/384793799.db2.gz NGMSJKIXTUGISR-UHFFFAOYSA-N 0 3 247.363 3.055 20 0 BGADHN CC(C)COCCN[C@@H](C)c1cccs1 ZINC000053554099 188164218 /nfs/dbraw/zinc/16/42/18/188164218.db2.gz REGDVOWDOYRMLS-NSHDSACASA-N 0 3 227.373 3.071 20 0 BGADHN CC(C)COCCN[C@H](C)c1cccs1 ZINC000053554103 191125949 /nfs/dbraw/zinc/12/59/49/191125949.db2.gz REGDVOWDOYRMLS-LLVKDONJSA-N 0 3 227.373 3.071 20 0 BGADHN Cc1cccc(C)c1OCCNCc1ccoc1 ZINC000053564300 179046670 /nfs/dbraw/zinc/04/66/70/179046670.db2.gz JHCZNBYBGYGLSX-UHFFFAOYSA-N 0 3 245.322 3.065 20 0 BGADHN Cc1ccc(OCCNCc2ccoc2)c(C)c1 ZINC000053564658 634245417 /nfs/dbraw/zinc/24/54/17/634245417.db2.gz JBJGWEDSMAFCNY-UHFFFAOYSA-N 0 3 245.322 3.065 20 0 BGADHN Cc1cc(C)cc(OCCNCc2ccoc2)c1 ZINC000053566609 634248085 /nfs/dbraw/zinc/24/80/85/634248085.db2.gz UWAVIBBUCCETFG-UHFFFAOYSA-N 0 3 245.322 3.065 20 0 BGADHN Cc1cccc(O[C@@H](C)CNCc2ccco2)c1 ZINC000053566660 179173752 /nfs/dbraw/zinc/17/37/52/179173752.db2.gz RRTNYRGDNQOUBU-ZDUSSCGKSA-N 0 3 245.322 3.145 20 0 BGADHN Cc1cccc(O[C@H](C)CNCc2ccco2)c1 ZINC000053566661 179175157 /nfs/dbraw/zinc/17/51/57/179175157.db2.gz RRTNYRGDNQOUBU-CYBMUJFWSA-N 0 3 245.322 3.145 20 0 BGADHN Cc1ccccc1O[C@@H](C)CNCc1ccco1 ZINC000053566718 179312917 /nfs/dbraw/zinc/31/29/17/179312917.db2.gz GTUYQKKQDNGXPC-ZDUSSCGKSA-N 0 3 245.322 3.145 20 0 BGADHN Cc1ccccc1O[C@H](C)CNCc1ccco1 ZINC000053566719 179313944 /nfs/dbraw/zinc/31/39/44/179313944.db2.gz GTUYQKKQDNGXPC-CYBMUJFWSA-N 0 3 245.322 3.145 20 0 BGADHN C[C@H](NCCOc1cccc(F)c1)c1ccco1 ZINC000053567157 384798239 /nfs/dbraw/zinc/79/82/39/384798239.db2.gz XDVSJMBANJCMCD-NSHDSACASA-N 0 3 249.285 3.148 20 0 BGADHN C[C@@H](NCCOc1cccc(F)c1)c1ccco1 ZINC000053567158 384798428 /nfs/dbraw/zinc/79/84/28/384798428.db2.gz XDVSJMBANJCMCD-LLVKDONJSA-N 0 3 249.285 3.148 20 0 BGADHN CCC(C)(C)OCCNCc1cccs1 ZINC000053568640 346919409 /nfs/dbraw/zinc/91/94/09/346919409.db2.gz XWYLBAOPTJITKE-UHFFFAOYSA-N 0 3 227.373 3.043 20 0 BGADHN CCC(C)(C)OCCNCc1sccc1C ZINC000053568717 358834269 /nfs/dbraw/zinc/83/42/69/358834269.db2.gz CPUNBHUOJNCCHR-UHFFFAOYSA-N 0 3 241.400 3.351 20 0 BGADHN CCC(C)(C)OCCNCc1ccc(C)s1 ZINC000053568722 358834217 /nfs/dbraw/zinc/83/42/17/358834217.db2.gz CSVXYLLPDXFWOZ-UHFFFAOYSA-N 0 3 241.400 3.351 20 0 BGADHN C[C@H](NCCOC(C)(C)C)c1cccs1 ZINC000053584512 385156348 /nfs/dbraw/zinc/15/63/48/385156348.db2.gz XGJSPBQWHCTLAB-JTQLQIEISA-N 0 3 227.373 3.214 20 0 BGADHN C[C@@H](NCCOC(C)(C)C)c1cccs1 ZINC000053584514 385156976 /nfs/dbraw/zinc/15/69/76/385156976.db2.gz XGJSPBQWHCTLAB-SNVBAGLBSA-N 0 3 227.373 3.214 20 0 BGADHN Clc1ccc(CNCCOC2CCC2)s1 ZINC000053589850 634258911 /nfs/dbraw/zinc/25/89/11/634258911.db2.gz KFZRLYOMJNMBOJ-UHFFFAOYSA-N 0 3 245.775 3.060 20 0 BGADHN c1cc(CNCCOC2CCCCCC2)co1 ZINC000053590664 634255634 /nfs/dbraw/zinc/25/56/34/634255634.db2.gz UICXEIZDAUTHFF-UHFFFAOYSA-N 0 3 237.343 3.109 20 0 BGADHN c1cc(CNCCSc2ccccc2)co1 ZINC000053592823 643659623 /nfs/dbraw/zinc/65/96/23/643659623.db2.gz OKKRWILPDUDJED-UHFFFAOYSA-N 0 3 233.336 3.162 20 0 BGADHN c1cc(CNCCSCc2ccccc2)co1 ZINC000053593002 384798412 /nfs/dbraw/zinc/79/84/12/384798412.db2.gz BHBOSAVKOUPOJP-UHFFFAOYSA-N 0 3 247.363 3.303 20 0 BGADHN Cc1ccc(SCCNCc2ccoc2)cc1 ZINC000053605095 634263685 /nfs/dbraw/zinc/26/36/85/634263685.db2.gz GFIQMCIXHSEEFO-UHFFFAOYSA-N 0 3 247.363 3.470 20 0 BGADHN CCSCCNCc1ccc(Cl)s1 ZINC000053616378 346949483 /nfs/dbraw/zinc/94/94/83/346949483.db2.gz NWKJSLWPICXTBQ-UHFFFAOYSA-N 0 3 235.805 3.244 20 0 BGADHN C[C@H](NCCSC(C)(C)C)c1ccco1 ZINC000053616786 385346669 /nfs/dbraw/zinc/34/66/69/385346669.db2.gz RVQGWRVMBBPCSA-JTQLQIEISA-N 0 3 227.373 3.462 20 0 BGADHN C[C@@H](NCCSC(C)(C)C)c1ccco1 ZINC000053616789 175883141 /nfs/dbraw/zinc/88/31/41/175883141.db2.gz RVQGWRVMBBPCSA-SNVBAGLBSA-N 0 3 227.373 3.462 20 0 BGADHN CC(C)CSCCN[C@@H](C)c1ccco1 ZINC000053619189 385345804 /nfs/dbraw/zinc/34/58/04/385345804.db2.gz LQKGDZQRFOFJMN-NSHDSACASA-N 0 3 227.373 3.319 20 0 BGADHN CC(C)CSCCN[C@H](C)c1ccco1 ZINC000053619192 187818866 /nfs/dbraw/zinc/81/88/66/187818866.db2.gz LQKGDZQRFOFJMN-LLVKDONJSA-N 0 3 227.373 3.319 20 0 BGADHN CC(C)SCCN[C@@H](C)c1ccco1 ZINC000053623258 167332032 /nfs/dbraw/zinc/33/20/32/167332032.db2.gz USMWCZCVACVYPW-JTQLQIEISA-N 0 3 213.346 3.072 20 0 BGADHN CC(C)SCCN[C@H](C)c1ccco1 ZINC000053623259 167332909 /nfs/dbraw/zinc/33/29/09/167332909.db2.gz USMWCZCVACVYPW-SNVBAGLBSA-N 0 3 213.346 3.072 20 0 BGADHN C#CCN(C)[C@@H](C)c1ccc2ccccc2c1 ZINC000053642909 634280333 /nfs/dbraw/zinc/28/03/33/634280333.db2.gz FFMXWWLKSXTAGE-ZDUSSCGKSA-N 0 3 223.319 3.466 20 0 BGADHN C#CCN(C)[C@H](C)c1ccc2ccccc2c1 ZINC000053642911 634280876 /nfs/dbraw/zinc/28/08/76/634280876.db2.gz FFMXWWLKSXTAGE-CYBMUJFWSA-N 0 3 223.319 3.466 20 0 BGADHN NCc1cccc(NC(=O)C2CCCCCC2)c1 ZINC000053712909 583592347 /nfs/dbraw/zinc/59/23/47/583592347.db2.gz CZNBVXLFOVLUAW-UHFFFAOYSA-N 0 3 246.354 3.054 20 0 BGADHN c1coc(CNCC2CCCCCC2)c1 ZINC000053714501 384720146 /nfs/dbraw/zinc/72/01/46/384720146.db2.gz HIDONHVDBGPWKC-UHFFFAOYSA-N 0 3 207.317 3.340 20 0 BGADHN C=CCN1CC=C(c2ccc(C)cc2)CC1 ZINC000053813330 635127576 /nfs/dbraw/zinc/12/75/76/635127576.db2.gz AUBAVQXBZCNJTL-UHFFFAOYSA-N 0 3 213.324 3.270 20 0 BGADHN CC(C)CN(C)Cc1ccccc1Cl ZINC000053906459 363556241 /nfs/dbraw/zinc/55/62/41/363556241.db2.gz RHGPZQXJRHBGAC-UHFFFAOYSA-N 0 3 211.736 3.428 20 0 BGADHN CC(C)CN(C)Cc1ccc(Cl)s1 ZINC000053906505 384810758 /nfs/dbraw/zinc/81/07/58/384810758.db2.gz MUBYBTXENQWBKW-UHFFFAOYSA-N 0 3 217.765 3.489 20 0 BGADHN CC(C)CN(C)Cc1nc2ccccc2s1 ZINC000053906525 363556852 /nfs/dbraw/zinc/55/68/52/363556852.db2.gz SSAKEXGHIOVJDI-UHFFFAOYSA-N 0 3 234.368 3.384 20 0 BGADHN COc1ccc(C)cc1CN(C)CC(C)C ZINC000053906526 363556564 /nfs/dbraw/zinc/55/65/64/363556564.db2.gz QOEQPXNLOMXGCI-UHFFFAOYSA-N 0 3 221.344 3.091 20 0 BGADHN COC1CCN(Cc2ccc(C(C)C)cc2)CC1 ZINC000053906816 363557761 /nfs/dbraw/zinc/55/77/61/363557761.db2.gz MNZPYEUXQXVQTB-UHFFFAOYSA-N 0 3 247.382 3.421 20 0 BGADHN CC(C)CN(Cc1ccccc1F)C1CC1 ZINC000053907097 363557603 /nfs/dbraw/zinc/55/76/03/363557603.db2.gz RUNORYXPSHBUNL-UHFFFAOYSA-N 0 3 221.319 3.446 20 0 BGADHN CC(C)CN(C)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000053907126 363558011 /nfs/dbraw/zinc/55/80/11/363558011.db2.gz GWUWXIIPOOFKSK-YPMHNXCESA-N 0 3 221.344 3.491 20 0 BGADHN CC(C)CN(C)Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000053907127 363557989 /nfs/dbraw/zinc/55/79/89/363557989.db2.gz GWUWXIIPOOFKSK-AAEUAGOBSA-N 0 3 221.344 3.491 20 0 BGADHN CC(C)CN(C)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000053907128 363558213 /nfs/dbraw/zinc/55/82/13/363558213.db2.gz GWUWXIIPOOFKSK-DGCLKSJQSA-N 0 3 221.344 3.491 20 0 BGADHN CC(C)CN(C)Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000053907129 363557385 /nfs/dbraw/zinc/55/73/85/363557385.db2.gz GWUWXIIPOOFKSK-WCQYABFASA-N 0 3 221.344 3.491 20 0 BGADHN CCCN(CCC(=O)c1ccccc1)C1CC1 ZINC000053931610 169140227 /nfs/dbraw/zinc/14/02/27/169140227.db2.gz AJKKOSMCQBTFPJ-UHFFFAOYSA-N 0 3 231.339 3.134 20 0 BGADHN CC[C@@H]1CCCN(CCC(=O)c2ccccc2)C1 ZINC000053931663 358847437 /nfs/dbraw/zinc/84/74/37/358847437.db2.gz ZLNBMZLXBYIIKH-CQSZACIVSA-N 0 3 245.366 3.381 20 0 BGADHN CC[C@H]1CCCN(CCC(=O)c2ccccc2)C1 ZINC000053931665 387822403 /nfs/dbraw/zinc/82/24/03/387822403.db2.gz ZLNBMZLXBYIIKH-AWEZNQCLSA-N 0 3 245.366 3.381 20 0 BGADHN CN(CCC(=O)c1ccccc1)CC(C)(C)C ZINC000053931917 387822330 /nfs/dbraw/zinc/82/23/30/387822330.db2.gz XVKOZBCPGWYPFU-UHFFFAOYSA-N 0 3 233.355 3.237 20 0 BGADHN CC(C)CCN(C)CCC(=O)c1ccccc1 ZINC000053931954 490174741 /nfs/dbraw/zinc/17/47/41/490174741.db2.gz VXSURNYCZSRWQE-UHFFFAOYSA-N 0 3 233.355 3.237 20 0 BGADHN CCC1CCN(CCC(=O)c2ccccc2)CC1 ZINC000053931959 384726677 /nfs/dbraw/zinc/72/66/77/384726677.db2.gz FBLIAPAIYFYDAC-UHFFFAOYSA-N 0 3 245.366 3.381 20 0 BGADHN C[C@@H]1CCN(CCC(=O)c2ccccc2)[C@H](C)C1 ZINC000053932004 384726778 /nfs/dbraw/zinc/72/67/78/384726778.db2.gz LFWOQFNVJQDCEW-ZIAGYGMSSA-N 0 3 245.366 3.380 20 0 BGADHN Cc1ccc(C(=O)CCN2CCC[C@@H]2C)cc1 ZINC000053934687 192088087 /nfs/dbraw/zinc/08/80/87/192088087.db2.gz SKRZVEJVQDVZBP-ZDUSSCGKSA-N 0 3 231.339 3.052 20 0 BGADHN Cc1ccc(C(=O)CCN2CCC[C@H]2C)cc1 ZINC000053934689 192088007 /nfs/dbraw/zinc/08/80/07/192088007.db2.gz SKRZVEJVQDVZBP-CYBMUJFWSA-N 0 3 231.339 3.052 20 0 BGADHN Cc1ccc(C(=O)CCN2CCCC[C@@H]2C)cc1 ZINC000053934808 192088038 /nfs/dbraw/zinc/08/80/38/192088038.db2.gz RYZWMMHGEZQXFR-AWEZNQCLSA-N 0 3 245.366 3.442 20 0 BGADHN Cc1ccc(C(=O)CCN2CCCC[C@H]2C)cc1 ZINC000053934810 192088077 /nfs/dbraw/zinc/08/80/77/192088077.db2.gz RYZWMMHGEZQXFR-CQSZACIVSA-N 0 3 245.366 3.442 20 0 BGADHN CCN(CCC(=O)c1ccc(C)cc1)C1CC1 ZINC000053935099 384809890 /nfs/dbraw/zinc/80/98/90/384809890.db2.gz XWYRUOFLWLDRPQ-UHFFFAOYSA-N 0 3 231.339 3.052 20 0 BGADHN CCCN(CCC(=O)c1ccc(C)cc1)C1CC1 ZINC000053935198 169139996 /nfs/dbraw/zinc/13/99/96/169139996.db2.gz LQTPERGPXKMDCW-UHFFFAOYSA-N 0 3 245.366 3.442 20 0 BGADHN Cc1cccc(N2CCN(CC(C)C)CC2)c1C ZINC000053944039 488184202 /nfs/dbraw/zinc/18/42/02/488184202.db2.gz FXXGXZFAAIUGNL-UHFFFAOYSA-N 0 3 246.398 3.081 20 0 BGADHN Cc1cc(C2CCN(C)CC2)nc2ccccc12 ZINC000053999108 491072996 /nfs/dbraw/zinc/07/29/96/491072996.db2.gz AQRJYPOKQUQUKL-UHFFFAOYSA-N 0 3 240.350 3.352 20 0 BGADHN CN(CCC(=O)C(C)(C)C)Cc1ccccc1 ZINC000054026326 635327655 /nfs/dbraw/zinc/32/76/55/635327655.db2.gz FRSDIQGHOSUHGC-UHFFFAOYSA-N 0 3 233.355 3.124 20 0 BGADHN CC(C)(C)C(=O)CCN1CCc2ccccc2C1 ZINC000054026354 635328800 /nfs/dbraw/zinc/32/88/00/635328800.db2.gz KOZAUDZKRVOVNI-UHFFFAOYSA-N 0 3 245.366 3.050 20 0 BGADHN Cc1ccc(CN(C)CCC(=O)C(C)(C)C)cc1 ZINC000054026370 635328119 /nfs/dbraw/zinc/32/81/19/635328119.db2.gz NZGUMUZRXSWQFK-UHFFFAOYSA-N 0 3 247.382 3.432 20 0 BGADHN Cc1ccccc1CN(C)CCC(=O)C(C)(C)C ZINC000054026691 643664045 /nfs/dbraw/zinc/66/40/45/643664045.db2.gz QXOCMFIJHGPILY-UHFFFAOYSA-N 0 3 247.382 3.432 20 0 BGADHN Cc1cccc(CN(C)CCC(=O)C(C)(C)C)c1 ZINC000054026769 635332349 /nfs/dbraw/zinc/33/23/49/635332349.db2.gz VWAKFYIZWBKONS-UHFFFAOYSA-N 0 3 247.382 3.432 20 0 BGADHN Cc1csc(CN[C@@H](C)C2CCCC2)n1 ZINC000054080931 385462043 /nfs/dbraw/zinc/46/20/43/385462043.db2.gz AZLIQFSJOBFXKL-JTQLQIEISA-N 0 3 224.373 3.120 20 0 BGADHN Cc1csc(CN[C@H](C)C2CCCC2)n1 ZINC000054080933 385461750 /nfs/dbraw/zinc/46/17/50/385461750.db2.gz AZLIQFSJOBFXKL-SNVBAGLBSA-N 0 3 224.373 3.120 20 0 BGADHN Cc1nc(CN[C@@H](C)C2CCCC2)cs1 ZINC000054081077 385463527 /nfs/dbraw/zinc/46/35/27/385463527.db2.gz JQICAQONYBMISP-VIFPVBQESA-N 0 3 224.373 3.120 20 0 BGADHN Cc1nc(CN[C@H](C)C2CCCC2)cs1 ZINC000054081079 385464527 /nfs/dbraw/zinc/46/45/27/385464527.db2.gz JQICAQONYBMISP-SECBINFHSA-N 0 3 224.373 3.120 20 0 BGADHN Cc1sc(C2(N)CCCC2)nc1-c1ccco1 ZINC000054083913 387032551 /nfs/dbraw/zinc/03/25/51/387032551.db2.gz MNVKKCKJXMGNCV-UHFFFAOYSA-N 0 3 248.351 3.440 20 0 BGADHN CCN(C)CCN[C@@H](C)c1cc2ccccc2o1 ZINC000054109983 384823223 /nfs/dbraw/zinc/82/32/23/384823223.db2.gz IYSZDMVNDGURMO-LBPRGKRZSA-N 0 3 246.354 3.035 20 0 BGADHN CCN(C)CCN[C@H](C)c1cc2ccccc2o1 ZINC000054109984 384821111 /nfs/dbraw/zinc/82/11/11/384821111.db2.gz IYSZDMVNDGURMO-GFCCVEGCSA-N 0 3 246.354 3.035 20 0 BGADHN CCN(C)CCN[C@@H](C)c1ccc(Cl)s1 ZINC000054110205 385484575 /nfs/dbraw/zinc/48/45/75/385484575.db2.gz CPCJRFPBTMAIMJ-VIFPVBQESA-N 0 3 246.807 3.004 20 0 BGADHN CCN(C)CCN[C@H](C)c1ccc(Cl)s1 ZINC000054110206 385485102 /nfs/dbraw/zinc/48/51/02/385485102.db2.gz CPCJRFPBTMAIMJ-SECBINFHSA-N 0 3 246.807 3.004 20 0 BGADHN CCN(CC)Cc1cc(-c2ccccc2)no1 ZINC000054115992 368332257 /nfs/dbraw/zinc/33/22/57/368332257.db2.gz BBJDAFSPZPVWEC-UHFFFAOYSA-N 0 3 230.311 3.183 20 0 BGADHN CC1CCC(N(C)C/C=C/Cl)CC1 ZINC000054116148 350197298 /nfs/dbraw/zinc/19/72/98/350197298.db2.gz NWXCIQCBGJGZFP-FPYGCLRLSA-N 0 3 201.741 3.249 20 0 BGADHN CCOCCN1CC=C(c2ccc(C)cc2)CC1 ZINC000054145951 635741511 /nfs/dbraw/zinc/74/15/11/635741511.db2.gz GGYDIQPGOHPAPM-UHFFFAOYSA-N 0 3 245.366 3.121 20 0 BGADHN CCCN1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000054301891 343657974 /nfs/dbraw/zinc/65/79/74/343657974.db2.gz FLZVZYABAPVAOY-UHFFFAOYSA-N 0 3 245.366 3.300 20 0 BGADHN CC(C)COC1CCN(Cc2ccccc2)CC1 ZINC000054321960 323203980 /nfs/dbraw/zinc/20/39/80/323203980.db2.gz DPXZEJYKUAWHQS-UHFFFAOYSA-N 0 3 247.382 3.324 20 0 BGADHN CC(C)=CCN1CCC(OCC(C)C)CC1 ZINC000054325263 322934406 /nfs/dbraw/zinc/93/44/06/322934406.db2.gz FTOUHKGVHMRQRL-UHFFFAOYSA-N 0 3 225.376 3.090 20 0 BGADHN CCOCCN(CC)[C@@H](C)c1ccc(F)cc1 ZINC000054340910 358859163 /nfs/dbraw/zinc/85/91/63/358859163.db2.gz HOOPMNGUCMCVPF-LBPRGKRZSA-N 0 3 239.334 3.245 20 0 BGADHN CCOCCN(CC)[C@H](C)c1ccc(F)cc1 ZINC000054340912 535587519 /nfs/dbraw/zinc/58/75/19/535587519.db2.gz HOOPMNGUCMCVPF-GFCCVEGCSA-N 0 3 239.334 3.245 20 0 BGADHN Cc1ccc(C)c(CN2CCO[C@H]3CCC[C@@H]32)c1 ZINC000054344258 363567389 /nfs/dbraw/zinc/56/73/89/363567389.db2.gz DNOIVJHVOWODCL-HOTGVXAUSA-N 0 3 245.366 3.057 20 0 BGADHN Cc1ccc(C)c(CN2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000054344260 363566807 /nfs/dbraw/zinc/56/68/07/363566807.db2.gz DNOIVJHVOWODCL-JKSUJKDBSA-N 0 3 245.366 3.057 20 0 BGADHN CCN[C@@H]1CCCOc2c(Cl)cc(C)cc21 ZINC000054348817 358859685 /nfs/dbraw/zinc/85/96/85/358859685.db2.gz UTYWACPNJIMMCV-GFCCVEGCSA-N 0 3 239.746 3.472 20 0 BGADHN CCN[C@H]1CCCOc2c(Cl)cc(C)cc21 ZINC000054348822 358859597 /nfs/dbraw/zinc/85/95/97/358859597.db2.gz UTYWACPNJIMMCV-LBPRGKRZSA-N 0 3 239.746 3.472 20 0 BGADHN CC[C@@H](C)[C@@H](C)NCc1nc2ccccc2[nH]1 ZINC000054375558 358859241 /nfs/dbraw/zinc/85/92/41/358859241.db2.gz IAPXBXPMHHRJSB-GHMZBOCLSA-N 0 3 231.343 3.087 20 0 BGADHN CC[C@H](C)[C@@H](C)NCc1nc2ccccc2[nH]1 ZINC000054375561 358859304 /nfs/dbraw/zinc/85/93/04/358859304.db2.gz IAPXBXPMHHRJSB-WDEREUQCSA-N 0 3 231.343 3.087 20 0 BGADHN CC[C@@H](C)[C@H](C)NCc1nc2ccccc2[nH]1 ZINC000054375562 358859422 /nfs/dbraw/zinc/85/94/22/358859422.db2.gz IAPXBXPMHHRJSB-MNOVXSKESA-N 0 3 231.343 3.087 20 0 BGADHN CC[C@H](C)[C@H](C)NCc1nc2ccccc2[nH]1 ZINC000054375564 358859775 /nfs/dbraw/zinc/85/97/75/358859775.db2.gz IAPXBXPMHHRJSB-QWRGUYRKSA-N 0 3 231.343 3.087 20 0 BGADHN C[C@H](NCc1nc2ccccc2[nH]1)C1CCCC1 ZINC000054375750 358859375 /nfs/dbraw/zinc/85/93/75/358859375.db2.gz RBULQUIWDYVDOR-NSHDSACASA-N 0 3 243.354 3.231 20 0 BGADHN C[C@@H](NCc1nc2ccccc2[nH]1)C1CCCC1 ZINC000054375752 358860321 /nfs/dbraw/zinc/86/03/21/358860321.db2.gz RBULQUIWDYVDOR-LLVKDONJSA-N 0 3 243.354 3.231 20 0 BGADHN CC(C)(C)NCc1cnc(-c2ccco2)s1 ZINC000054456655 166635696 /nfs/dbraw/zinc/63/56/96/166635696.db2.gz QXAOKINFXVGDRV-UHFFFAOYSA-N 0 3 236.340 3.291 20 0 BGADHN CCOC[C@@H](C)NCc1csc2ccccc12 ZINC000054463644 358864092 /nfs/dbraw/zinc/86/40/92/358864092.db2.gz DOOGTWMBNPKBOH-LLVKDONJSA-N 0 3 249.379 3.416 20 0 BGADHN CCOC[C@H](C)NCc1csc2ccccc12 ZINC000054463649 358863888 /nfs/dbraw/zinc/86/38/88/358863888.db2.gz DOOGTWMBNPKBOH-NSHDSACASA-N 0 3 249.379 3.416 20 0 BGADHN CC[C@@H](C)CNCc1c(F)cccc1F ZINC000054466989 348019966 /nfs/dbraw/zinc/01/99/66/348019966.db2.gz RHGNGMYDRQZTGM-SECBINFHSA-N 0 3 213.271 3.101 20 0 BGADHN CC[C@H](C)CNCc1c(F)cccc1F ZINC000054466990 348020425 /nfs/dbraw/zinc/02/04/25/348020425.db2.gz RHGNGMYDRQZTGM-VIFPVBQESA-N 0 3 213.271 3.101 20 0 BGADHN CC[C@@H](C)CNCc1ccc(Br)o1 ZINC000054467036 348020323 /nfs/dbraw/zinc/02/03/23/348020323.db2.gz RKCXTJNRRNVDNO-MRVPVSSYSA-N 0 3 246.148 3.178 20 0 BGADHN CC[C@H](C)CNCc1ccc(Br)o1 ZINC000054467039 348019934 /nfs/dbraw/zinc/01/99/34/348019934.db2.gz RKCXTJNRRNVDNO-QMMMGPOBSA-N 0 3 246.148 3.178 20 0 BGADHN CC[C@@H](C)CN[C@@H](C)c1nc2ccccc2n1C ZINC000054467146 358864284 /nfs/dbraw/zinc/86/42/84/358864284.db2.gz OBYCYYPIAWZWSB-NEPJUHHUSA-N 0 3 245.370 3.270 20 0 BGADHN CC[C@H](C)CN[C@@H](C)c1nc2ccccc2n1C ZINC000054467148 358864076 /nfs/dbraw/zinc/86/40/76/358864076.db2.gz OBYCYYPIAWZWSB-RYUDHWBXSA-N 0 3 245.370 3.270 20 0 BGADHN CC[C@@H](C)CN[C@H](C)c1nc2ccccc2n1C ZINC000054467149 358864205 /nfs/dbraw/zinc/86/42/05/358864205.db2.gz OBYCYYPIAWZWSB-VXGBXAGGSA-N 0 3 245.370 3.270 20 0 BGADHN CC[C@H](C)CN[C@H](C)c1nc2ccccc2n1C ZINC000054467151 358864027 /nfs/dbraw/zinc/86/40/27/358864027.db2.gz OBYCYYPIAWZWSB-NWDGAFQWSA-N 0 3 245.370 3.270 20 0 BGADHN CC[C@@H](C)CNCc1cc(F)ccc1F ZINC000054467856 384838220 /nfs/dbraw/zinc/83/82/20/384838220.db2.gz OPNPNSLWYVNXQF-SECBINFHSA-N 0 3 213.271 3.101 20 0 BGADHN CC[C@H](C)CNCc1cc(F)ccc1F ZINC000054467858 171285698 /nfs/dbraw/zinc/28/56/98/171285698.db2.gz OPNPNSLWYVNXQF-VIFPVBQESA-N 0 3 213.271 3.101 20 0 BGADHN CC[C@@H](C)CNCc1ccc(Cl)o1 ZINC000054467918 348022469 /nfs/dbraw/zinc/02/24/69/348022469.db2.gz XQLWOVCWTYFVJK-MRVPVSSYSA-N 0 3 201.697 3.069 20 0 BGADHN CC[C@H](C)CNCc1ccc(Cl)o1 ZINC000054467920 348022486 /nfs/dbraw/zinc/02/24/86/348022486.db2.gz XQLWOVCWTYFVJK-QMMMGPOBSA-N 0 3 201.697 3.069 20 0 BGADHN CC[C@@H](C)CN[C@@H](C)c1csc(C)n1 ZINC000054468141 348023001 /nfs/dbraw/zinc/02/30/01/348023001.db2.gz MOGXGAFNRNTAPD-BDAKNGLRSA-N 0 3 212.362 3.148 20 0 BGADHN CC[C@H](C)CN[C@@H](C)c1csc(C)n1 ZINC000054468142 348022917 /nfs/dbraw/zinc/02/29/17/348022917.db2.gz MOGXGAFNRNTAPD-IUCAKERBSA-N 0 3 212.362 3.148 20 0 BGADHN CC[C@@H](C)CN[C@H](C)c1csc(C)n1 ZINC000054468144 348022885 /nfs/dbraw/zinc/02/28/85/348022885.db2.gz MOGXGAFNRNTAPD-RKDXNWHRSA-N 0 3 212.362 3.148 20 0 BGADHN CC[C@H](C)CN[C@H](C)c1csc(C)n1 ZINC000054468146 348023138 /nfs/dbraw/zinc/02/31/38/348023138.db2.gz MOGXGAFNRNTAPD-DTWKUNHWSA-N 0 3 212.362 3.148 20 0 BGADHN CC[C@@H](C)CNCc1cccc(F)c1F ZINC000054471412 411145922 /nfs/dbraw/zinc/14/59/22/411145922.db2.gz TYQMUZWFWXZMCT-SECBINFHSA-N 0 3 213.271 3.101 20 0 BGADHN CC[C@H](C)CNCc1cccc(F)c1F ZINC000054471414 411346433 /nfs/dbraw/zinc/34/64/33/411346433.db2.gz TYQMUZWFWXZMCT-VIFPVBQESA-N 0 3 213.271 3.101 20 0 BGADHN CC(C)C1CCC(NCc2nccs2)CC1 ZINC000054556343 387827575 /nfs/dbraw/zinc/82/75/75/387827575.db2.gz GFRGPNFOCWICJP-UHFFFAOYSA-N 0 3 238.400 3.448 20 0 BGADHN Cc1cc(CNC2CCC(C(C)C)CC2)no1 ZINC000054556588 384736551 /nfs/dbraw/zinc/73/65/51/384736551.db2.gz FCZORXOROOISOB-UHFFFAOYSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1cc(CNC2CCC(C(C)C)CC2)on1 ZINC000054556613 178018631 /nfs/dbraw/zinc/01/86/31/178018631.db2.gz APSCYBFOMDKWGV-UHFFFAOYSA-N 0 3 236.359 3.287 20 0 BGADHN CC[C@H](NCc1cnc[nH]1)c1cccc(Cl)c1 ZINC000054764178 384850575 /nfs/dbraw/zinc/85/05/75/384850575.db2.gz HGMPIIXHKBWQOC-ZDUSSCGKSA-N 0 3 249.745 3.304 20 0 BGADHN CC[C@H](NCc1c[nH]cn1)c1cccc(Cl)c1 ZINC000054764178 384850573 /nfs/dbraw/zinc/85/05/73/384850573.db2.gz HGMPIIXHKBWQOC-ZDUSSCGKSA-N 0 3 249.745 3.304 20 0 BGADHN CC[C@@H](NCc1cnc[nH]1)c1cccc(Cl)c1 ZINC000054764181 343661633 /nfs/dbraw/zinc/66/16/33/343661633.db2.gz HGMPIIXHKBWQOC-CYBMUJFWSA-N 0 3 249.745 3.304 20 0 BGADHN CC[C@@H](NCc1c[nH]cn1)c1cccc(Cl)c1 ZINC000054764181 343661631 /nfs/dbraw/zinc/66/16/31/343661631.db2.gz HGMPIIXHKBWQOC-CYBMUJFWSA-N 0 3 249.745 3.304 20 0 BGADHN CC(C)[C@H](NCc1cnc[nH]1)c1ccc(F)cc1 ZINC000054764381 387830562 /nfs/dbraw/zinc/83/05/62/387830562.db2.gz VXUFJFCMGIBNST-AWEZNQCLSA-N 0 3 247.317 3.036 20 0 BGADHN CC(C)[C@H](NCc1c[nH]cn1)c1ccc(F)cc1 ZINC000054764381 387830559 /nfs/dbraw/zinc/83/05/59/387830559.db2.gz VXUFJFCMGIBNST-AWEZNQCLSA-N 0 3 247.317 3.036 20 0 BGADHN CC(C)[C@@H](NCc1cnc[nH]1)c1ccc(F)cc1 ZINC000054764382 387829584 /nfs/dbraw/zinc/82/95/84/387829584.db2.gz VXUFJFCMGIBNST-CQSZACIVSA-N 0 3 247.317 3.036 20 0 BGADHN CC(C)[C@@H](NCc1c[nH]cn1)c1ccc(F)cc1 ZINC000054764382 387829582 /nfs/dbraw/zinc/82/95/82/387829582.db2.gz VXUFJFCMGIBNST-CQSZACIVSA-N 0 3 247.317 3.036 20 0 BGADHN CC[C@H](NCc1cnc[nH]1)c1ccc(Cl)cc1 ZINC000054764435 384849947 /nfs/dbraw/zinc/84/99/47/384849947.db2.gz SELSZAGCFGGNNJ-ZDUSSCGKSA-N 0 3 249.745 3.304 20 0 BGADHN CC[C@H](NCc1c[nH]cn1)c1ccc(Cl)cc1 ZINC000054764435 384849943 /nfs/dbraw/zinc/84/99/43/384849943.db2.gz SELSZAGCFGGNNJ-ZDUSSCGKSA-N 0 3 249.745 3.304 20 0 BGADHN CC[C@@H](NCc1cnc[nH]1)c1ccc(Cl)cc1 ZINC000054764437 343661658 /nfs/dbraw/zinc/66/16/58/343661658.db2.gz SELSZAGCFGGNNJ-CYBMUJFWSA-N 0 3 249.745 3.304 20 0 BGADHN CC[C@@H](NCc1c[nH]cn1)c1ccc(Cl)cc1 ZINC000054764437 343661656 /nfs/dbraw/zinc/66/16/56/343661656.db2.gz SELSZAGCFGGNNJ-CYBMUJFWSA-N 0 3 249.745 3.304 20 0 BGADHN CC(C)(C)[C@H](NCc1cnc[nH]1)c1ccccc1 ZINC000054764508 188300976 /nfs/dbraw/zinc/30/09/76/188300976.db2.gz QASGJBCYORIYRW-CQSZACIVSA-N 0 3 243.354 3.287 20 0 BGADHN CC(C)(C)[C@H](NCc1c[nH]cn1)c1ccccc1 ZINC000054764508 188300974 /nfs/dbraw/zinc/30/09/74/188300974.db2.gz QASGJBCYORIYRW-CQSZACIVSA-N 0 3 243.354 3.287 20 0 BGADHN CC(C)(C)[C@@H](NCc1cnc[nH]1)c1ccccc1 ZINC000054764510 384851321 /nfs/dbraw/zinc/85/13/21/384851321.db2.gz QASGJBCYORIYRW-AWEZNQCLSA-N 0 3 243.354 3.287 20 0 BGADHN CC(C)(C)[C@@H](NCc1c[nH]cn1)c1ccccc1 ZINC000054764510 384851315 /nfs/dbraw/zinc/85/13/15/384851315.db2.gz QASGJBCYORIYRW-AWEZNQCLSA-N 0 3 243.354 3.287 20 0 BGADHN CC(C)C[C@H](NCc1cnc[nH]1)c1ccccc1 ZINC000054764611 358872193 /nfs/dbraw/zinc/87/21/93/358872193.db2.gz QOTPHGBHCBLVGZ-HNNXBMFYSA-N 0 3 243.354 3.287 20 0 BGADHN CC(C)C[C@H](NCc1c[nH]cn1)c1ccccc1 ZINC000054764611 358872187 /nfs/dbraw/zinc/87/21/87/358872187.db2.gz QOTPHGBHCBLVGZ-HNNXBMFYSA-N 0 3 243.354 3.287 20 0 BGADHN CC(C)C[C@@H](NCc1cnc[nH]1)c1ccccc1 ZINC000054764613 358872167 /nfs/dbraw/zinc/87/21/67/358872167.db2.gz QOTPHGBHCBLVGZ-OAHLLOKOSA-N 0 3 243.354 3.287 20 0 BGADHN CC(C)C[C@@H](NCc1c[nH]cn1)c1ccccc1 ZINC000054764613 358872162 /nfs/dbraw/zinc/87/21/62/358872162.db2.gz QOTPHGBHCBLVGZ-OAHLLOKOSA-N 0 3 243.354 3.287 20 0 BGADHN CCC[C@H](NCc1cnc[nH]1)c1ccccc1 ZINC000054764695 384850720 /nfs/dbraw/zinc/85/07/20/384850720.db2.gz QBMNSKYXKRZALR-AWEZNQCLSA-N 0 3 229.327 3.041 20 0 BGADHN CCC[C@H](NCc1c[nH]cn1)c1ccccc1 ZINC000054764695 384850715 /nfs/dbraw/zinc/85/07/15/384850715.db2.gz QBMNSKYXKRZALR-AWEZNQCLSA-N 0 3 229.327 3.041 20 0 BGADHN CCC[C@@H](NCc1cnc[nH]1)c1ccccc1 ZINC000054764696 384849768 /nfs/dbraw/zinc/84/97/68/384849768.db2.gz QBMNSKYXKRZALR-CQSZACIVSA-N 0 3 229.327 3.041 20 0 BGADHN CCC[C@@H](NCc1c[nH]cn1)c1ccccc1 ZINC000054764696 384849757 /nfs/dbraw/zinc/84/97/57/384849757.db2.gz QBMNSKYXKRZALR-CQSZACIVSA-N 0 3 229.327 3.041 20 0 BGADHN CC(C)(C)[C@@H]1CCCC[C@@H]1NCc1cnccn1 ZINC000054765843 349078893 /nfs/dbraw/zinc/07/88/93/349078893.db2.gz VEWJZFWYEIVELR-KGLIPLIRSA-N 0 3 247.386 3.171 20 0 BGADHN CC(C)(C)[C@H]1CCCC[C@@H]1NCc1cnccn1 ZINC000054765844 349078773 /nfs/dbraw/zinc/07/87/73/349078773.db2.gz VEWJZFWYEIVELR-KBPBESRZSA-N 0 3 247.386 3.171 20 0 BGADHN CC(C)(C)[C@@H]1CCCC[C@H]1NCc1cnccn1 ZINC000054765845 349079118 /nfs/dbraw/zinc/07/91/18/349079118.db2.gz VEWJZFWYEIVELR-ZIAGYGMSSA-N 0 3 247.386 3.171 20 0 BGADHN CC(C)(C)[C@H]1CCCC[C@H]1NCc1cnccn1 ZINC000054765846 349078934 /nfs/dbraw/zinc/07/89/34/349078934.db2.gz VEWJZFWYEIVELR-UONOGXRCSA-N 0 3 247.386 3.171 20 0 BGADHN CC(C)[C@H]1CC[C@@H](C)C[C@H]1NCc1cnccn1 ZINC000054766081 384743479 /nfs/dbraw/zinc/74/34/79/384743479.db2.gz SOJFCHVJYSRCKX-BPLDGKMQSA-N 0 3 247.386 3.027 20 0 BGADHN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NCc1cnccn1 ZINC000054766083 322857490 /nfs/dbraw/zinc/85/74/90/322857490.db2.gz SOJFCHVJYSRCKX-VHDGCEQUSA-N 0 3 247.386 3.027 20 0 BGADHN CC[C@H](NCc1cncnc1)c1ccc(C)cc1 ZINC000054767557 344250427 /nfs/dbraw/zinc/25/04/27/344250427.db2.gz KNUWSINZSSACKR-HNNXBMFYSA-N 0 3 241.338 3.026 20 0 BGADHN CC[C@@H](NCc1cncnc1)c1ccc(C)cc1 ZINC000054767558 344250560 /nfs/dbraw/zinc/25/05/60/344250560.db2.gz KNUWSINZSSACKR-OAHLLOKOSA-N 0 3 241.338 3.026 20 0 BGADHN CCC[C@H](NCc1cncnc1)c1ccccc1 ZINC000054767593 383976233 /nfs/dbraw/zinc/97/62/33/383976233.db2.gz OAUZZOJYYJBWEZ-HNNXBMFYSA-N 0 3 241.338 3.108 20 0 BGADHN CCC[C@@H](NCc1cncnc1)c1ccccc1 ZINC000054767594 383977484 /nfs/dbraw/zinc/97/74/84/383977484.db2.gz OAUZZOJYYJBWEZ-OAHLLOKOSA-N 0 3 241.338 3.108 20 0 BGADHN c1ncc(CNCCC2=CCCCC2)s1 ZINC000054770091 384855101 /nfs/dbraw/zinc/85/51/01/384855101.db2.gz WNPLJRLEEVNNTI-UHFFFAOYSA-N 0 3 222.357 3.123 20 0 BGADHN CC(C)CC[C@@H](C)NCc1cncs1 ZINC000054770144 385660631 /nfs/dbraw/zinc/66/06/31/385660631.db2.gz GGPMCUAADADSPT-SNVBAGLBSA-N 0 3 212.362 3.057 20 0 BGADHN CC(C)CC[C@H](C)NCc1cncs1 ZINC000054770145 348627289 /nfs/dbraw/zinc/62/72/89/348627289.db2.gz GGPMCUAADADSPT-JTQLQIEISA-N 0 3 212.362 3.057 20 0 BGADHN c1ncc(CN[C@H]2CCCc3ccccc32)s1 ZINC000054770225 384855895 /nfs/dbraw/zinc/85/58/95/384855895.db2.gz OINADOSWFLADHE-AWEZNQCLSA-N 0 3 244.363 3.310 20 0 BGADHN c1ncc(CN[C@@H]2CCCc3ccccc32)s1 ZINC000054770227 384853677 /nfs/dbraw/zinc/85/36/77/384853677.db2.gz OINADOSWFLADHE-CQSZACIVSA-N 0 3 244.363 3.310 20 0 BGADHN C[C@@H](CCc1ccccc1)NCc1cncs1 ZINC000054770251 384854270 /nfs/dbraw/zinc/85/42/70/384854270.db2.gz CLRXOTGHYFIVOE-LBPRGKRZSA-N 0 3 246.379 3.254 20 0 BGADHN C[C@H](CCc1ccccc1)NCc1cncs1 ZINC000054770254 384854174 /nfs/dbraw/zinc/85/41/74/384854174.db2.gz CLRXOTGHYFIVOE-GFCCVEGCSA-N 0 3 246.379 3.254 20 0 BGADHN CC(C)CCC[C@@H](C)NCc1cncs1 ZINC000054770256 384853714 /nfs/dbraw/zinc/85/37/14/384853714.db2.gz SQERZZCQZATRQC-LLVKDONJSA-N 0 3 226.389 3.448 20 0 BGADHN CC(C)CCC[C@H](C)NCc1cncs1 ZINC000054770258 384853244 /nfs/dbraw/zinc/85/32/44/384853244.db2.gz SQERZZCQZATRQC-NSHDSACASA-N 0 3 226.389 3.448 20 0 BGADHN CCCCC[C@@H](C)NCc1cncs1 ZINC000054770546 385660916 /nfs/dbraw/zinc/66/09/16/385660916.db2.gz QPMASJSUXWSQMA-SNVBAGLBSA-N 0 3 212.362 3.202 20 0 BGADHN CCCCC[C@H](C)NCc1cncs1 ZINC000054770547 385660549 /nfs/dbraw/zinc/66/05/49/385660549.db2.gz QPMASJSUXWSQMA-JTQLQIEISA-N 0 3 212.362 3.202 20 0 BGADHN c1ncc(CN[C@@H](c2ccccc2)C2CC2)s1 ZINC000054770936 384854150 /nfs/dbraw/zinc/85/41/50/384854150.db2.gz TZQDBRVTBYIEJX-AWEZNQCLSA-N 0 3 244.363 3.384 20 0 BGADHN c1ncc(CN[C@H](c2ccccc2)C2CC2)s1 ZINC000054770937 384855373 /nfs/dbraw/zinc/85/53/73/384855373.db2.gz TZQDBRVTBYIEJX-CQSZACIVSA-N 0 3 244.363 3.384 20 0 BGADHN Cc1ccccc1C[C@@H](C)NCc1cncs1 ZINC000054788187 179288795 /nfs/dbraw/zinc/28/87/95/179288795.db2.gz RXQWIIHUTGVUAO-GFCCVEGCSA-N 0 3 246.379 3.172 20 0 BGADHN Cc1ccccc1C[C@H](C)NCc1cncs1 ZINC000054788188 179291092 /nfs/dbraw/zinc/29/10/92/179291092.db2.gz RXQWIIHUTGVUAO-LBPRGKRZSA-N 0 3 246.379 3.172 20 0 BGADHN CC(C)(CNCc1cncs1)c1ccccc1 ZINC000054788243 358873731 /nfs/dbraw/zinc/87/37/31/358873731.db2.gz GLBDREPQUSWCLO-UHFFFAOYSA-N 0 3 246.379 3.211 20 0 BGADHN Cc1ccc([C@@H](C)NCc2cncs2)s1 ZINC000054788344 640407486 /nfs/dbraw/zinc/40/74/86/640407486.db2.gz BFPASPIYRJXAND-SECBINFHSA-N 0 3 238.381 3.364 20 0 BGADHN Cc1ccc([C@H](C)NCc2cncs2)s1 ZINC000054788345 178893146 /nfs/dbraw/zinc/89/31/46/178893146.db2.gz BFPASPIYRJXAND-VIFPVBQESA-N 0 3 238.381 3.364 20 0 BGADHN CC[C@H](NCc1cncs1)c1ccccc1 ZINC000054788450 384853417 /nfs/dbraw/zinc/85/34/17/384853417.db2.gz YUNUFWXUWQIBJU-ZDUSSCGKSA-N 0 3 232.352 3.384 20 0 BGADHN CC[C@@H](NCc1cncs1)c1ccccc1 ZINC000054788451 343662259 /nfs/dbraw/zinc/66/22/59/343662259.db2.gz YUNUFWXUWQIBJU-CYBMUJFWSA-N 0 3 232.352 3.384 20 0 BGADHN Cc1nccc(CNC(C)(C)CC(C)(C)C)n1 ZINC000054790519 136373095 /nfs/dbraw/zinc/37/30/95/136373095.db2.gz VJTBEXXHUDBZFC-UHFFFAOYSA-N 0 3 235.375 3.089 20 0 BGADHN CCc1nc(CNC2CCCCC2)cs1 ZINC000054917996 348791582 /nfs/dbraw/zinc/79/15/82/348791582.db2.gz AKCHGCHFPRIHJZ-UHFFFAOYSA-N 0 3 224.373 3.128 20 0 BGADHN CCc1nc(CNCCc2ccccc2)cs1 ZINC000054917997 358878876 /nfs/dbraw/zinc/87/88/76/358878876.db2.gz IIICTXRMDWFLHM-UHFFFAOYSA-N 0 3 246.379 3.038 20 0 BGADHN CCc1nc(CN[C@@H]2CCCC[C@@H]2C)cs1 ZINC000054918019 640418523 /nfs/dbraw/zinc/41/85/23/640418523.db2.gz RFBHQAYWAIAHLQ-CMPLNLGQSA-N 0 3 238.400 3.374 20 0 BGADHN CCc1nc(CN[C@H]2CCCC[C@@H]2C)cs1 ZINC000054918020 171988433 /nfs/dbraw/zinc/98/84/33/171988433.db2.gz RFBHQAYWAIAHLQ-JQWIXIFHSA-N 0 3 238.400 3.374 20 0 BGADHN CCc1nc(CN[C@@H]2CCCC[C@H]2C)cs1 ZINC000054918021 640418573 /nfs/dbraw/zinc/41/85/73/640418573.db2.gz RFBHQAYWAIAHLQ-ZYHUDNBSSA-N 0 3 238.400 3.374 20 0 BGADHN CCc1nc(CN[C@H]2CCCC[C@H]2C)cs1 ZINC000054918022 632520882 /nfs/dbraw/zinc/52/08/82/632520882.db2.gz RFBHQAYWAIAHLQ-PWSUYJOCSA-N 0 3 238.400 3.374 20 0 BGADHN CCc1nc(CNC2CCC(C)CC2)cs1 ZINC000054918024 358878754 /nfs/dbraw/zinc/87/87/54/358878754.db2.gz XMBAUHOPUPENLF-UHFFFAOYSA-N 0 3 238.400 3.374 20 0 BGADHN CCc1nc(CNCC2CCCCC2)cs1 ZINC000054918081 632518991 /nfs/dbraw/zinc/51/89/91/632518991.db2.gz IFXFIPCXUPYPRT-UHFFFAOYSA-N 0 3 238.400 3.375 20 0 BGADHN Cc1cc(CN2CCC[C@@H]2c2ccccc2)on1 ZINC000054993395 363582451 /nfs/dbraw/zinc/58/24/51/363582451.db2.gz BBVIYUXWVGCITJ-OAHLLOKOSA-N 0 3 242.322 3.320 20 0 BGADHN Cc1cc(CN2CCC[C@H]2c2ccccc2)on1 ZINC000054993396 363583077 /nfs/dbraw/zinc/58/30/77/363583077.db2.gz BBVIYUXWVGCITJ-HNNXBMFYSA-N 0 3 242.322 3.320 20 0 BGADHN CC(C)=CCN(C)CCc1ccc(F)cc1 ZINC000055023958 388071683 /nfs/dbraw/zinc/07/16/83/388071683.db2.gz UOWBCGJYAAWSEP-UHFFFAOYSA-N 0 3 221.319 3.266 20 0 BGADHN FC(F)(F)Oc1ccc(CN2CCCC2)cc1 ZINC000055043030 349126116 /nfs/dbraw/zinc/12/61/16/349126116.db2.gz AWFBYJQFZRQOAI-UHFFFAOYSA-N 0 3 245.244 3.181 20 0 BGADHN CC(C)Oc1ccccc1CN1CCCC1 ZINC000055043129 358880750 /nfs/dbraw/zinc/88/07/50/358880750.db2.gz OYSOJWUYGAFCMV-UHFFFAOYSA-N 0 3 219.328 3.070 20 0 BGADHN CC(C)N(Cc1ccccc1)Cc1ccccn1 ZINC000055106222 363585761 /nfs/dbraw/zinc/58/57/61/363585761.db2.gz HFSCKZPFCVBMQA-UHFFFAOYSA-N 0 3 240.350 3.492 20 0 BGADHN CCN[C@@H](CC)c1cc(Cl)ccc1OC ZINC000055224100 349982423 /nfs/dbraw/zinc/98/24/23/349982423.db2.gz NEBAVINGUCVBEL-NSHDSACASA-N 0 3 227.735 3.409 20 0 BGADHN CCN[C@H](CC)c1cc(Cl)ccc1OC ZINC000055224102 349982161 /nfs/dbraw/zinc/98/21/61/349982161.db2.gz NEBAVINGUCVBEL-LLVKDONJSA-N 0 3 227.735 3.409 20 0 BGADHN CCN[C@@H](C)c1ccccc1OC(F)(F)F ZINC000055224156 170141962 /nfs/dbraw/zinc/14/19/62/170141962.db2.gz VBJIAXLFGYBNAV-QMMMGPOBSA-N 0 3 233.233 3.256 20 0 BGADHN CCN[C@H](C)c1ccccc1OC(F)(F)F ZINC000055224158 170160450 /nfs/dbraw/zinc/16/04/50/170160450.db2.gz VBJIAXLFGYBNAV-MRVPVSSYSA-N 0 3 233.233 3.256 20 0 BGADHN CCN(CC)Cc1ccccc1OC(C)C ZINC000055899631 358892658 /nfs/dbraw/zinc/89/26/58/358892658.db2.gz POZOKTYALFNTOC-UHFFFAOYSA-N 0 3 221.344 3.316 20 0 BGADHN CCN(Cc1ccccc1OC(C)C)C1CC1 ZINC000055901392 388094781 /nfs/dbraw/zinc/09/47/81/388094781.db2.gz YHEFBHSBQZUDHN-UHFFFAOYSA-N 0 3 233.355 3.458 20 0 BGADHN CC(C)Oc1ccccc1CN(C)C1CC1 ZINC000055901938 369345720 /nfs/dbraw/zinc/34/57/20/369345720.db2.gz UZCKCIFKRNSUSI-UHFFFAOYSA-N 0 3 219.328 3.068 20 0 BGADHN CC(C)Oc1ccccc1CN(C)CC1CC1 ZINC000055904508 388094402 /nfs/dbraw/zinc/09/44/02/388094402.db2.gz GHGDBDYZCRKPSW-UHFFFAOYSA-N 0 3 233.355 3.316 20 0 BGADHN Cc1cc(CN2CCC[C@@H]2C2CCCC2)no1 ZINC000055927764 358892833 /nfs/dbraw/zinc/89/28/33/358892833.db2.gz BOBKSCQSLSLGCV-CQSZACIVSA-N 0 3 234.343 3.138 20 0 BGADHN Cc1cc(CN2CCC[C@H]2C2CCCC2)no1 ZINC000055927765 358892781 /nfs/dbraw/zinc/89/27/81/358892781.db2.gz BOBKSCQSLSLGCV-AWEZNQCLSA-N 0 3 234.343 3.138 20 0 BGADHN CCCCOCCN(C)Cc1ccccc1C ZINC000056267170 369355755 /nfs/dbraw/zinc/35/57/55/369355755.db2.gz VZWWYLBVCFEABZ-UHFFFAOYSA-N 0 3 235.371 3.244 20 0 BGADHN CCCCOCCN(C)Cc1ccc(F)cc1 ZINC000056267210 358895914 /nfs/dbraw/zinc/89/59/14/358895914.db2.gz RYFBAMJJPRTWCO-UHFFFAOYSA-N 0 3 239.334 3.074 20 0 BGADHN CC(C)CCOCCN1CCc2ccccc2C1 ZINC000056267242 363290327 /nfs/dbraw/zinc/29/03/27/363290327.db2.gz IBLGPDVLLAFZFO-UHFFFAOYSA-N 0 3 247.382 3.107 20 0 BGADHN CCCCOCCN(CC)Cc1ccccc1 ZINC000056267377 345902757 /nfs/dbraw/zinc/90/27/57/345902757.db2.gz JXBPOEGAJQWCMJ-UHFFFAOYSA-N 0 3 235.371 3.325 20 0 BGADHN CCCCOCCN(C)Cc1sccc1C ZINC000056267477 349332379 /nfs/dbraw/zinc/33/23/79/349332379.db2.gz RELBZWFRBKFFBW-UHFFFAOYSA-N 0 3 241.400 3.305 20 0 BGADHN CCCCOCCN(C)[C@@H]1CCc2ccccc21 ZINC000056282779 363401016 /nfs/dbraw/zinc/40/10/16/363401016.db2.gz FYOWILIJOIBLML-MRXNPFEDSA-N 0 3 247.382 3.422 20 0 BGADHN CCCCOCCN(C)[C@H]1CCc2ccccc21 ZINC000056282780 363401196 /nfs/dbraw/zinc/40/11/96/363401196.db2.gz FYOWILIJOIBLML-INIZCTEOSA-N 0 3 247.382 3.422 20 0 BGADHN COCCN(C)[C@@H](C)c1ccc2ccccc2c1 ZINC000056294438 368468301 /nfs/dbraw/zinc/46/83/01/368468301.db2.gz VDGXUBVTTRSTIZ-ZDUSSCGKSA-N 0 3 243.350 3.479 20 0 BGADHN COCCN(C)[C@H](C)c1ccc2ccccc2c1 ZINC000056294439 368468006 /nfs/dbraw/zinc/46/80/06/368468006.db2.gz VDGXUBVTTRSTIZ-CYBMUJFWSA-N 0 3 243.350 3.479 20 0 BGADHN CCCCOCCN(C)[C@@H](C)c1ccccc1 ZINC000056491416 369359994 /nfs/dbraw/zinc/35/99/94/369359994.db2.gz PITSLGADTJUKTR-AWEZNQCLSA-N 0 3 235.371 3.496 20 0 BGADHN CCCCOCCN(C)[C@H](C)c1ccccc1 ZINC000056491418 369359827 /nfs/dbraw/zinc/35/98/27/369359827.db2.gz PITSLGADTJUKTR-CQSZACIVSA-N 0 3 235.371 3.496 20 0 BGADHN CCCCOCCN(C)Cc1cccc(F)c1 ZINC000056492183 358898000 /nfs/dbraw/zinc/89/80/00/358898000.db2.gz FOJBPGNGVOYYLR-UHFFFAOYSA-N 0 3 239.334 3.074 20 0 BGADHN CC(C)CCOCCN(C)Cc1cccs1 ZINC000056492194 344223957 /nfs/dbraw/zinc/22/39/57/344223957.db2.gz ZAUFNBFNFXJUNW-UHFFFAOYSA-N 0 3 241.400 3.243 20 0 BGADHN CCCCOCCN(C)Cc1ccc(C)cc1 ZINC000056492202 369359950 /nfs/dbraw/zinc/35/99/50/369359950.db2.gz WXYVKODVTHZVLK-UHFFFAOYSA-N 0 3 235.371 3.244 20 0 BGADHN CC(C)CCOCCN(C)Cc1ccccc1 ZINC000056492240 344223476 /nfs/dbraw/zinc/22/34/76/344223476.db2.gz GFRFQOBYAYEXOO-UHFFFAOYSA-N 0 3 235.371 3.181 20 0 BGADHN CC[C@@H]1CN([C@@H](C)CCc2ccccc2)CCO1 ZINC000056493183 384795794 /nfs/dbraw/zinc/79/57/94/384795794.db2.gz DRRPJRNQWCUMBM-GOEBONIOSA-N 0 3 247.382 3.119 20 0 BGADHN CC[C@H]1CN([C@@H](C)CCc2ccccc2)CCO1 ZINC000056493184 384795180 /nfs/dbraw/zinc/79/51/80/384795180.db2.gz DRRPJRNQWCUMBM-HOCLYGCPSA-N 0 3 247.382 3.119 20 0 BGADHN Cc1ccsc1CNCc1ccsc1 ZINC000057328530 385929755 /nfs/dbraw/zinc/92/97/55/385929755.db2.gz ZJQGRLVIXPQAEL-UHFFFAOYSA-N 0 3 223.366 3.408 20 0 BGADHN COc1ccc(F)cc1CNC1CCCCC1 ZINC000057528944 175130115 /nfs/dbraw/zinc/13/01/15/175130115.db2.gz RXKQXDRRHNMPIL-UHFFFAOYSA-N 0 3 237.318 3.257 20 0 BGADHN CN(C)CCSc1ccc2ccccc2c1 ZINC000057530521 387135986 /nfs/dbraw/zinc/13/59/86/387135986.db2.gz PCYAKKOOALLUHC-UHFFFAOYSA-N 0 3 231.364 3.494 20 0 BGADHN CCN1CCC(c2nc3ccccc3s2)CC1 ZINC000057567122 343690965 /nfs/dbraw/zinc/69/09/65/343690965.db2.gz LXQBBKOXDBRKCK-UHFFFAOYSA-N 0 3 246.379 3.496 20 0 BGADHN CCCCN(C)[C@@H](C)C(=O)Nc1cccc(C)c1 ZINC000057569807 349421541 /nfs/dbraw/zinc/42/15/41/349421541.db2.gz GBAJNSUKXIWBGJ-ZDUSSCGKSA-N 0 3 248.370 3.054 20 0 BGADHN CCCCN(C)[C@H](C)C(=O)Nc1cccc(C)c1 ZINC000057569809 368495489 /nfs/dbraw/zinc/49/54/89/368495489.db2.gz GBAJNSUKXIWBGJ-CYBMUJFWSA-N 0 3 248.370 3.054 20 0 BGADHN CCCCN(C)[C@@H](C)C(=O)Nc1ccccc1C ZINC000057569893 368494133 /nfs/dbraw/zinc/49/41/33/368494133.db2.gz BOAGJTPDPAYNAG-ZDUSSCGKSA-N 0 3 248.370 3.054 20 0 BGADHN CCCCN(C)[C@H](C)C(=O)Nc1ccccc1C ZINC000057569898 368494710 /nfs/dbraw/zinc/49/47/10/368494710.db2.gz BOAGJTPDPAYNAG-CYBMUJFWSA-N 0 3 248.370 3.054 20 0 BGADHN Cc1ccsc1CNCc1ccc(C)nc1 ZINC000057591080 384958317 /nfs/dbraw/zinc/95/83/17/384958317.db2.gz ODBQRFNVVSAZBI-UHFFFAOYSA-N 0 3 232.352 3.050 20 0 BGADHN Cc1ccc(CNCc2ccc(C)nc2)s1 ZINC000057591093 384958293 /nfs/dbraw/zinc/95/82/93/384958293.db2.gz SDXLGLSXQYKNFG-UHFFFAOYSA-N 0 3 232.352 3.050 20 0 BGADHN Cc1ccc(CNCc2ccc(C)nc2)c(C)c1 ZINC000057591181 384958991 /nfs/dbraw/zinc/95/89/91/384958991.db2.gz QGZOPLTXNGBEJQ-UHFFFAOYSA-N 0 3 240.350 3.297 20 0 BGADHN Cc1ccc(CNCc2cccc(C)c2C)cn1 ZINC000057591199 384959174 /nfs/dbraw/zinc/95/91/74/384959174.db2.gz WVMACSSZLWJNDI-UHFFFAOYSA-N 0 3 240.350 3.297 20 0 BGADHN Cc1ccc(CNCc2ccc(C)c(C)c2)cn1 ZINC000057591202 384957351 /nfs/dbraw/zinc/95/73/51/384957351.db2.gz YWLRDHWFALTWLF-UHFFFAOYSA-N 0 3 240.350 3.297 20 0 BGADHN Cc1ccc(CNCc2ccc(Cl)cc2)cn1 ZINC000057591302 358906298 /nfs/dbraw/zinc/90/62/98/358906298.db2.gz ZNZHYTSLPGMOMR-UHFFFAOYSA-N 0 3 246.741 3.333 20 0 BGADHN CCc1ccc(CNCc2ccc(C)nc2)cc1 ZINC000057591408 358905734 /nfs/dbraw/zinc/90/57/34/358905734.db2.gz QWJXCPIQFHMANG-UHFFFAOYSA-N 0 3 240.350 3.242 20 0 BGADHN CCOCCN(C)Cc1ccc2ccccc2c1 ZINC000057599293 358905523 /nfs/dbraw/zinc/90/55/23/358905523.db2.gz SAMCLIZJZNTJDA-UHFFFAOYSA-N 0 3 243.350 3.308 20 0 BGADHN Cc1noc(C)c1CN(C1CC1)C1CCCC1 ZINC000057619738 387141905 /nfs/dbraw/zinc/14/19/05/387141905.db2.gz IEUMZEPTHYJSER-UHFFFAOYSA-N 0 3 234.343 3.198 20 0 BGADHN CCOCCN1CCc2sccc2[C@H]1CC ZINC000057625928 368498287 /nfs/dbraw/zinc/49/82/87/368498287.db2.gz HYBFFYRIQCIHNV-GFCCVEGCSA-N 0 3 239.384 3.094 20 0 BGADHN CCOCCN1CCc2sccc2[C@@H]1CC ZINC000057625931 368497339 /nfs/dbraw/zinc/49/73/39/368497339.db2.gz HYBFFYRIQCIHNV-LBPRGKRZSA-N 0 3 239.384 3.094 20 0 BGADHN CCCCN(C)Cc1cnn(-c2ccccc2)c1 ZINC000057626065 368497615 /nfs/dbraw/zinc/49/76/15/368497615.db2.gz ZNMUJVKHSSBMEM-UHFFFAOYSA-N 0 3 243.354 3.104 20 0 BGADHN COc1ccc(C)cc1CN(C)CCC(C)C ZINC000057642519 488120288 /nfs/dbraw/zinc/12/02/88/488120288.db2.gz WZZORQVBVBDMSV-UHFFFAOYSA-N 0 3 235.371 3.482 20 0 BGADHN Cc1cc(SCCN(C)C)nc2ccccc12 ZINC000057745639 487591524 /nfs/dbraw/zinc/59/15/24/487591524.db2.gz VJLFKLHESYCNNY-UHFFFAOYSA-N 0 3 246.379 3.197 20 0 BGADHN CC[C@@H](c1ccccc1)N(C)Cc1cnn(C)c1 ZINC000057860850 387144841 /nfs/dbraw/zinc/14/48/41/387144841.db2.gz QVGFUKKBPZIWIJ-HNNXBMFYSA-N 0 3 243.354 3.003 20 0 BGADHN CC[C@H](c1ccccc1)N(C)Cc1cnn(C)c1 ZINC000057860852 387144604 /nfs/dbraw/zinc/14/46/04/387144604.db2.gz QVGFUKKBPZIWIJ-OAHLLOKOSA-N 0 3 243.354 3.003 20 0 BGADHN Cc1cc(CN2CCC[C@@H]2CC(C)(C)C)no1 ZINC000057863680 358908272 /nfs/dbraw/zinc/90/82/72/358908272.db2.gz DLCYJKMYKQFBJO-CYBMUJFWSA-N 0 3 236.359 3.384 20 0 BGADHN Cc1cc(CN2CCC[C@H]2CC(C)(C)C)no1 ZINC000057863682 358908358 /nfs/dbraw/zinc/90/83/58/358908358.db2.gz DLCYJKMYKQFBJO-ZDUSSCGKSA-N 0 3 236.359 3.384 20 0 BGADHN COCCN(Cc1ccc(C(C)C)cc1)C1CC1 ZINC000057951134 487599281 /nfs/dbraw/zinc/59/92/81/487599281.db2.gz HKMIHHYTEAQXEZ-UHFFFAOYSA-N 0 3 247.382 3.421 20 0 BGADHN CC(C)=CCN(C)CCOc1ccc(F)cc1 ZINC000057951743 487599766 /nfs/dbraw/zinc/59/97/66/487599766.db2.gz AMFFBUFHHCFWJW-UHFFFAOYSA-N 0 3 237.318 3.103 20 0 BGADHN CC(C)=CCN(C)CCOc1cccc(C)c1 ZINC000057971325 487599681 /nfs/dbraw/zinc/59/96/81/487599681.db2.gz PKUPIUFZLVVELC-UHFFFAOYSA-N 0 3 233.355 3.272 20 0 BGADHN CC(C)=CCN(C)CCOc1ccc(C)cc1 ZINC000057972343 487599336 /nfs/dbraw/zinc/59/93/36/487599336.db2.gz SYDPGRLECVFXRS-UHFFFAOYSA-N 0 3 233.355 3.272 20 0 BGADHN CC(C)=CCN(C)CCOc1ccccc1C ZINC000057972767 487599595 /nfs/dbraw/zinc/59/95/95/487599595.db2.gz XZBQOHPWFQEALA-UHFFFAOYSA-N 0 3 233.355 3.272 20 0 BGADHN C[C@@H](c1cccs1)N(C)CCc1ccccn1 ZINC000057977019 176033414 /nfs/dbraw/zinc/03/34/14/176033414.db2.gz PPYHYBWYQLKLMT-LBPRGKRZSA-N 0 3 246.379 3.379 20 0 BGADHN C[C@H](c1cccs1)N(C)CCc1ccccn1 ZINC000057977025 177049009 /nfs/dbraw/zinc/04/90/09/177049009.db2.gz PPYHYBWYQLKLMT-GFCCVEGCSA-N 0 3 246.379 3.379 20 0 BGADHN c1coc(CNCC2(c3ccccc3)CC2)c1 ZINC000057993197 183388145 /nfs/dbraw/zinc/38/81/45/183388145.db2.gz ILLHTDFFMFMTBZ-UHFFFAOYSA-N 0 3 227.307 3.101 20 0 BGADHN C[C@@H](Cc1ccc(F)cc1)NCc1ccco1 ZINC000057993559 384975934 /nfs/dbraw/zinc/97/59/34/384975934.db2.gz ANMJBINXXMFYAH-NSHDSACASA-N 0 3 233.286 3.140 20 0 BGADHN C[C@H](Cc1ccc(F)cc1)NCc1ccco1 ZINC000057993562 384976669 /nfs/dbraw/zinc/97/66/69/384976669.db2.gz ANMJBINXXMFYAH-LLVKDONJSA-N 0 3 233.286 3.140 20 0 BGADHN Cc1ccc(CN[C@@H](C)Cc2ccc(F)cc2)o1 ZINC000057993582 398321287 /nfs/dbraw/zinc/32/12/87/398321287.db2.gz DUVZBBPLWOKXGL-NSHDSACASA-N 0 3 247.313 3.448 20 0 BGADHN Cc1ccc(CN[C@H](C)Cc2ccc(F)cc2)o1 ZINC000057993585 384951434 /nfs/dbraw/zinc/95/14/34/384951434.db2.gz DUVZBBPLWOKXGL-LLVKDONJSA-N 0 3 247.313 3.448 20 0 BGADHN CC(=O)c1ccc2c(c1)CN(C1CCCC1)C2 ZINC000058011792 187395864 /nfs/dbraw/zinc/39/58/64/187395864.db2.gz BUBGAWMGHVGHSA-UHFFFAOYSA-N 0 3 229.323 3.147 20 0 BGADHN CC(C)CN(Cc1cscn1)CC(C)C ZINC000058337110 343699426 /nfs/dbraw/zinc/69/94/26/343699426.db2.gz LFQGYIUUAMWAMC-UHFFFAOYSA-N 0 3 226.389 3.257 20 0 BGADHN CCCN(CCC)[C@@H](C)C(=O)Nc1ccccc1 ZINC000058337582 368510020 /nfs/dbraw/zinc/51/00/20/368510020.db2.gz IPCKRFGOHUSJPX-ZDUSSCGKSA-N 0 3 248.370 3.136 20 0 BGADHN CCCN(CCC)[C@H](C)C(=O)Nc1ccccc1 ZINC000058337583 368509690 /nfs/dbraw/zinc/50/96/90/368509690.db2.gz IPCKRFGOHUSJPX-CYBMUJFWSA-N 0 3 248.370 3.136 20 0 BGADHN CCN(CC)Cc1ccc(Cl)s1 ZINC000058406187 398136284 /nfs/dbraw/zinc/13/62/84/398136284.db2.gz VFNNFFGKIAHYFY-UHFFFAOYSA-N 0 3 203.738 3.243 20 0 BGADHN CCOCCN(Cc1ccc(CC)cc1)C1CC1 ZINC000058576936 368515680 /nfs/dbraw/zinc/51/56/80/368515680.db2.gz VTWDPAVCUALTJR-UHFFFAOYSA-N 0 3 247.382 3.250 20 0 BGADHN CC[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC000058773495 368521545 /nfs/dbraw/zinc/52/15/45/368521545.db2.gz QPAXEEUTJMWDFD-GFCCVEGCSA-N 0 3 221.319 3.448 20 0 BGADHN CC[C@H]1CCCN(Cc2ccccc2F)C1 ZINC000058773497 368521350 /nfs/dbraw/zinc/52/13/50/368521350.db2.gz QPAXEEUTJMWDFD-LBPRGKRZSA-N 0 3 221.319 3.448 20 0 BGADHN CC1CCC(CNCc2cscn2)CC1 ZINC000058872389 168156365 /nfs/dbraw/zinc/15/63/65/168156365.db2.gz ONZXRGCRJLSWCX-UHFFFAOYSA-N 0 3 224.373 3.059 20 0 BGADHN Cc1nc(CNCC2CCC(C)CC2)cs1 ZINC000058872527 358914754 /nfs/dbraw/zinc/91/47/54/358914754.db2.gz DGQVPGXUSUYCOH-UHFFFAOYSA-N 0 3 238.400 3.367 20 0 BGADHN CC1CCC(CNCc2ccco2)CC1 ZINC000058872553 168156852 /nfs/dbraw/zinc/15/68/52/168156852.db2.gz GRBYKVZDGQHPJX-UHFFFAOYSA-N 0 3 207.317 3.196 20 0 BGADHN COc1ccc(CN2CCCCCC2)cc1F ZINC000058873815 350483926 /nfs/dbraw/zinc/48/39/26/350483926.db2.gz HTVHJXWUEVCDHN-UHFFFAOYSA-N 0 3 237.318 3.210 20 0 BGADHN CN(Cc1ccccc1)Cc1cccc(F)c1 ZINC000058874008 385601785 /nfs/dbraw/zinc/60/17/85/385601785.db2.gz PYWDTIOLJWTTPS-UHFFFAOYSA-N 0 3 229.298 3.458 20 0 BGADHN COc1cccc(CN(C)Cc2ccccc2)c1 ZINC000058874032 360373105 /nfs/dbraw/zinc/37/31/05/360373105.db2.gz SJJRPRZRXMUBJE-UHFFFAOYSA-N 0 3 241.334 3.327 20 0 BGADHN CSc1ccc(CN2CCCC2)cc1 ZINC000058874077 323994249 /nfs/dbraw/zinc/99/42/49/323994249.db2.gz XSQZQUCZJRZYDH-UHFFFAOYSA-N 0 3 207.342 3.004 20 0 BGADHN CCCCN(C)Cc1ccc(OC)c(F)c1 ZINC000058874914 368523181 /nfs/dbraw/zinc/52/31/81/368523181.db2.gz YEOYUQHJMINTTB-UHFFFAOYSA-N 0 3 225.307 3.066 20 0 BGADHN COc1ccc(CN2CCC(C)CC2)cc1F ZINC000058875018 385032230 /nfs/dbraw/zinc/03/22/30/385032230.db2.gz JOWXMVUADHIJMV-UHFFFAOYSA-N 0 3 237.318 3.066 20 0 BGADHN Cc1cccc(C)c1OCCN1CCC(C)CC1 ZINC000058875022 368523589 /nfs/dbraw/zinc/52/35/89/368523589.db2.gz DFBZPBUNXKBPHF-UHFFFAOYSA-N 0 3 247.382 3.414 20 0 BGADHN C[C@@H]1CCCCN1CCOc1ccccc1F ZINC000058875178 368523646 /nfs/dbraw/zinc/52/36/46/368523646.db2.gz QLILWUJFZIPGML-GFCCVEGCSA-N 0 3 237.318 3.079 20 0 BGADHN COc1ccc(CN2CCCC[C@H]2C)cc1F ZINC000058875426 175098950 /nfs/dbraw/zinc/09/89/50/175098950.db2.gz JTTOPHZXMZKKSG-LLVKDONJSA-N 0 3 237.318 3.209 20 0 BGADHN FC(F)(F)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000058889007 372110397 /nfs/dbraw/zinc/11/03/97/372110397.db2.gz CYOOJHSVFXYJFV-LBPRGKRZSA-N 0 3 243.272 3.461 20 0 BGADHN Clc1ccccc1CCN1CCCCC1 ZINC000058906334 368524730 /nfs/dbraw/zinc/52/47/30/368524730.db2.gz MQURPKSZKNUWDF-UHFFFAOYSA-N 0 3 223.747 3.368 20 0 BGADHN CCCCN(CC)Cc1cccc2c1OCCO2 ZINC000058907151 387839267 /nfs/dbraw/zinc/83/92/67/387839267.db2.gz GISUSUUEXINILN-UHFFFAOYSA-N 0 3 249.354 3.080 20 0 BGADHN C[C@H](NCCC(F)(F)F)c1ccccc1 ZINC000058946824 386468742 /nfs/dbraw/zinc/46/87/42/386468742.db2.gz HAYZJOQMLUDOPV-VIFPVBQESA-N 0 3 217.234 3.290 20 0 BGADHN C[C@@H](NCCC(F)(F)F)c1ccccc1 ZINC000058946825 386467390 /nfs/dbraw/zinc/46/73/90/386467390.db2.gz HAYZJOQMLUDOPV-SECBINFHSA-N 0 3 217.234 3.290 20 0 BGADHN FC(F)(F)CCNCc1ccc(Cl)cc1 ZINC000058946826 323998359 /nfs/dbraw/zinc/99/83/59/323998359.db2.gz QKGWQAVWMDPOIF-UHFFFAOYSA-N 0 3 237.652 3.382 20 0 BGADHN FC(F)(F)CCNCc1cccc(Cl)c1 ZINC000059099709 324003161 /nfs/dbraw/zinc/00/31/61/324003161.db2.gz GOWBDDZCDHGJRO-UHFFFAOYSA-N 0 3 237.652 3.382 20 0 BGADHN Cc1ccc(CNCCC(F)(F)F)cc1 ZINC000059167796 350490972 /nfs/dbraw/zinc/49/09/72/350490972.db2.gz KRRGIXTUZMHVEI-UHFFFAOYSA-N 0 3 217.234 3.037 20 0 BGADHN C[C@H](NCCC(F)(F)F)c1ccc(F)cc1 ZINC000059167844 344355531 /nfs/dbraw/zinc/35/55/31/344355531.db2.gz KBLPCDHTBADJQJ-QMMMGPOBSA-N 0 3 235.224 3.429 20 0 BGADHN C[C@@H](NCCC(F)(F)F)c1ccc(F)cc1 ZINC000059167845 344355848 /nfs/dbraw/zinc/35/58/48/344355848.db2.gz KBLPCDHTBADJQJ-MRVPVSSYSA-N 0 3 235.224 3.429 20 0 BGADHN CC(C)(C)c1ncc(CN[C@H]2CC2(C)C)s1 ZINC000059181129 134391825 /nfs/dbraw/zinc/39/18/25/134391825.db2.gz OXJIVLSQFYIHIG-JTQLQIEISA-N 0 3 238.400 3.329 20 0 BGADHN CC(C)(C)c1ncc(CN[C@@H]2CC2(C)C)s1 ZINC000059181130 358919262 /nfs/dbraw/zinc/91/92/62/358919262.db2.gz OXJIVLSQFYIHIG-SNVBAGLBSA-N 0 3 238.400 3.329 20 0 BGADHN CCCOc1cccc(CN2CCCC2)c1 ZINC000059295676 358919420 /nfs/dbraw/zinc/91/94/20/358919420.db2.gz XUPYNIUCYHPOQO-UHFFFAOYSA-N 0 3 219.328 3.071 20 0 BGADHN COc1ccccc1[C@H](C)NCCC(F)(F)F ZINC000059313229 175351310 /nfs/dbraw/zinc/35/13/10/175351310.db2.gz XXSHNDRUIWQPNW-VIFPVBQESA-N 0 3 247.260 3.298 20 0 BGADHN COc1ccccc1[C@@H](C)NCCC(F)(F)F ZINC000059313230 175344831 /nfs/dbraw/zinc/34/48/31/175344831.db2.gz XXSHNDRUIWQPNW-SECBINFHSA-N 0 3 247.260 3.298 20 0 BGADHN C[C@H](NCCC(F)(F)F)c1cccc(F)c1 ZINC000059313283 358918767 /nfs/dbraw/zinc/91/87/67/358918767.db2.gz XCIGIDFDTDQFFG-QMMMGPOBSA-N 0 3 235.224 3.429 20 0 BGADHN C[C@@H](NCCC(F)(F)F)c1cccc(F)c1 ZINC000059313286 358919146 /nfs/dbraw/zinc/91/91/46/358919146.db2.gz XCIGIDFDTDQFFG-MRVPVSSYSA-N 0 3 235.224 3.429 20 0 BGADHN C[C@H](NCCC(F)(F)F)c1cccs1 ZINC000059313299 386476186 /nfs/dbraw/zinc/47/61/86/386476186.db2.gz VTYRZMLGWZUVLT-ZETCQYMHSA-N 0 3 223.263 3.351 20 0 BGADHN C[C@@H](NCCC(F)(F)F)c1cccs1 ZINC000059313300 175872218 /nfs/dbraw/zinc/87/22/18/175872218.db2.gz VTYRZMLGWZUVLT-SSDOTTSWSA-N 0 3 223.263 3.351 20 0 BGADHN Cc1ccccc1CNCCC(F)(F)F ZINC000059313486 324007454 /nfs/dbraw/zinc/00/74/54/324007454.db2.gz GIWNUIGOIHVBPU-UHFFFAOYSA-N 0 3 217.234 3.037 20 0 BGADHN CC[C@@H](C(=O)Nc1ccccc1C)N(CC)CC ZINC000059314684 368531252 /nfs/dbraw/zinc/53/12/52/368531252.db2.gz CEIKYZMHUFEZHI-AWEZNQCLSA-N 0 3 248.370 3.054 20 0 BGADHN CC[C@H](C(=O)Nc1ccccc1C)N(CC)CC ZINC000059314686 368531323 /nfs/dbraw/zinc/53/13/23/368531323.db2.gz CEIKYZMHUFEZHI-CQSZACIVSA-N 0 3 248.370 3.054 20 0 BGADHN Cc1cc(C)cc(CNCc2ccc(C)nc2)c1 ZINC000059639303 385050092 /nfs/dbraw/zinc/05/00/92/385050092.db2.gz ZLCFPDKCVMCBIQ-UHFFFAOYSA-N 0 3 240.350 3.297 20 0 BGADHN Cc1cc(CNCc2ccsc2)ccc1F ZINC000059798368 358920300 /nfs/dbraw/zinc/92/03/00/358920300.db2.gz CSNKYCLPWXUTBG-UHFFFAOYSA-N 0 3 235.327 3.485 20 0 BGADHN CCC(C)(C)NCc1ccn(-c2ccccc2)n1 ZINC000060390167 384751609 /nfs/dbraw/zinc/75/16/09/384751609.db2.gz FVKXJFUIPFFQBN-UHFFFAOYSA-N 0 3 243.354 3.151 20 0 BGADHN C[C@@H](CCNCc1cscn1)c1ccccc1 ZINC000060394189 385085392 /nfs/dbraw/zinc/08/53/92/385085392.db2.gz NNVMAQQEXRRJKT-LBPRGKRZSA-N 0 3 246.379 3.427 20 0 BGADHN C[C@H](CCNCc1cscn1)c1ccccc1 ZINC000060394190 385083554 /nfs/dbraw/zinc/08/35/54/385083554.db2.gz NNVMAQQEXRRJKT-GFCCVEGCSA-N 0 3 246.379 3.427 20 0 BGADHN FC(F)Oc1ccc(CN2CCCCC2)cc1 ZINC000060459745 358925718 /nfs/dbraw/zinc/92/57/18/358925718.db2.gz SWOKCOVQWHZUMB-UHFFFAOYSA-N 0 3 241.281 3.274 20 0 BGADHN C[C@H](c1ccc(F)c(F)c1)N1CCCC1 ZINC000060459994 324036089 /nfs/dbraw/zinc/03/60/89/324036089.db2.gz SZBCIKVNZAJYTG-SECBINFHSA-N 0 3 211.255 3.122 20 0 BGADHN CO[C@@H](CNCc1ccc(C)o1)c1ccccc1 ZINC000060528416 386486972 /nfs/dbraw/zinc/48/69/72/386486972.db2.gz BSHUAGJRFJYIGB-HNNXBMFYSA-N 0 3 245.322 3.065 20 0 BGADHN CC[C@H](C)N(C)Cc1nc2ccccc2o1 ZINC000060575339 171309255 /nfs/dbraw/zinc/30/92/55/171309255.db2.gz CULAYGMIIUCQFU-JTQLQIEISA-N 0 3 218.300 3.058 20 0 BGADHN CCN(CCc1ccccn1)Cc1cccs1 ZINC000060845508 324050154 /nfs/dbraw/zinc/05/01/54/324050154.db2.gz FBVGSKPLIKHHHQ-UHFFFAOYSA-N 0 3 246.379 3.208 20 0 BGADHN CC[C@H](c1ccccc1)N1CCO[C@@H](CC)C1 ZINC000060876380 344461605 /nfs/dbraw/zinc/46/16/05/344461605.db2.gz LRIKPWDYDMICCE-LSDHHAIUSA-N 0 3 233.355 3.249 20 0 BGADHN Cc1cc(F)ccc1CNCc1ccsc1 ZINC000060942073 358931294 /nfs/dbraw/zinc/93/12/94/358931294.db2.gz WHGYDZCPIRKLCT-UHFFFAOYSA-N 0 3 235.327 3.485 20 0 BGADHN Cc1ccc(CNCc2ccc(F)cc2C)cn1 ZINC000060942088 385101155 /nfs/dbraw/zinc/10/11/55/385101155.db2.gz DXIYDZOCWFXOGX-UHFFFAOYSA-N 0 3 244.313 3.127 20 0 BGADHN Cc1cc(CNCc2ccsc2)cc(C)c1O ZINC000060942234 178026470 /nfs/dbraw/zinc/02/64/70/178026470.db2.gz UGJZKOXKIUMHDH-UHFFFAOYSA-N 0 3 247.363 3.360 20 0 BGADHN CN(Cc1ccccc1F)CC1CCCC1 ZINC000060960782 411439731 /nfs/dbraw/zinc/43/97/31/411439731.db2.gz MYEVFJBCJBHRSX-UHFFFAOYSA-N 0 3 221.319 3.448 20 0 BGADHN CCCN(Cc1ccccc1F)C1CC1 ZINC000060972636 368556779 /nfs/dbraw/zinc/55/67/79/368556779.db2.gz TUJAXVZUBWRDAB-UHFFFAOYSA-N 0 3 207.292 3.200 20 0 BGADHN CCCCN1CCC(C(=O)c2ccccc2)CC1 ZINC000060975096 385105050 /nfs/dbraw/zinc/10/50/50/385105050.db2.gz MHEAFVNHNJYLJN-UHFFFAOYSA-N 0 3 245.366 3.381 20 0 BGADHN CCCCN(C)Cc1ccc(F)cc1F ZINC000060996301 368557792 /nfs/dbraw/zinc/55/77/92/368557792.db2.gz QYFVRNKTJXOXIN-UHFFFAOYSA-N 0 3 213.271 3.197 20 0 BGADHN Cc1ccc(CNCCOc2ccc(C)cc2)o1 ZINC000061012841 640910036 /nfs/dbraw/zinc/91/00/36/640910036.db2.gz GUHBPEJMCTWVQM-UHFFFAOYSA-N 0 3 245.322 3.065 20 0 BGADHN CCC(CC)CNCc1nc2ccccc2n1C ZINC000061030041 168362565 /nfs/dbraw/zinc/36/25/65/168362565.db2.gz CONKPSKUDSFSLK-UHFFFAOYSA-N 0 3 245.370 3.099 20 0 BGADHN CCNC(C)(C)c1nc2ccccc2s1 ZINC000061151250 170107593 /nfs/dbraw/zinc/10/75/93/170107593.db2.gz SIEDBWFLEKCZTJ-UHFFFAOYSA-N 0 3 220.341 3.141 20 0 BGADHN CCNC(C)(C)c1nc2cc(Cl)ccc2o1 ZINC000061151540 170107113 /nfs/dbraw/zinc/10/71/13/170107113.db2.gz XACVXIQHMMRDSI-UHFFFAOYSA-N 0 3 238.718 3.326 20 0 BGADHN CCOCCN(CC)Cc1cccc(Cl)c1 ZINC000061254491 368560523 /nfs/dbraw/zinc/56/05/23/368560523.db2.gz BOHJXKPTGSJISN-UHFFFAOYSA-N 0 3 241.762 3.198 20 0 BGADHN CCOCCN(C)[C@H](C)c1ccc(C)cc1 ZINC000061255852 343724146 /nfs/dbraw/zinc/72/41/46/343724146.db2.gz BKBKKVJTNFYDNK-CYBMUJFWSA-N 0 3 221.344 3.024 20 0 BGADHN c1cc2c(s1)CCC[C@H]2NCc1ccncc1 ZINC000061325219 183352524 /nfs/dbraw/zinc/35/25/24/183352524.db2.gz FNMZJGOHEUOXLF-CYBMUJFWSA-N 0 3 244.363 3.310 20 0 BGADHN c1cc2c(s1)CCC[C@@H]2NCc1ccncc1 ZINC000061325221 183353717 /nfs/dbraw/zinc/35/37/17/183353717.db2.gz FNMZJGOHEUOXLF-ZDUSSCGKSA-N 0 3 244.363 3.310 20 0 BGADHN CCOC[C@@H](C)N[C@@H]1CCCc2sccc21 ZINC000061329145 358932958 /nfs/dbraw/zinc/93/29/58/358932958.db2.gz RONKHJYQDNNVEO-ZYHUDNBSSA-N 0 3 239.384 3.140 20 0 BGADHN CCOC[C@H](C)N[C@@H]1CCCc2sccc21 ZINC000061329148 358933002 /nfs/dbraw/zinc/93/30/02/358933002.db2.gz RONKHJYQDNNVEO-CMPLNLGQSA-N 0 3 239.384 3.140 20 0 BGADHN CCOC[C@@H](C)N[C@H]1CCCc2sccc21 ZINC000061329151 358933150 /nfs/dbraw/zinc/93/31/50/358933150.db2.gz RONKHJYQDNNVEO-PWSUYJOCSA-N 0 3 239.384 3.140 20 0 BGADHN CCOC[C@H](C)N[C@H]1CCCc2sccc21 ZINC000061329152 358933295 /nfs/dbraw/zinc/93/32/95/358933295.db2.gz RONKHJYQDNNVEO-JQWIXIFHSA-N 0 3 239.384 3.140 20 0 BGADHN Cn1cccc1CN[C@@H]1CCCc2sccc21 ZINC000061330926 385113760 /nfs/dbraw/zinc/11/37/60/385113760.db2.gz LESCGYLGAQVTDG-CYBMUJFWSA-N 0 3 246.379 3.254 20 0 BGADHN Cn1cccc1CN[C@H]1CCCc2sccc21 ZINC000061330927 385113453 /nfs/dbraw/zinc/11/34/53/385113453.db2.gz LESCGYLGAQVTDG-ZDUSSCGKSA-N 0 3 246.379 3.254 20 0 BGADHN C[C@H](NCc1ccc(O)cc1)c1ccsc1 ZINC000061360600 487470908 /nfs/dbraw/zinc/47/09/08/487470908.db2.gz RYTQLFIWYRMXTC-JTQLQIEISA-N 0 3 233.336 3.305 20 0 BGADHN C[C@@H](NCc1ccc(O)cc1)c1ccsc1 ZINC000061360601 487470802 /nfs/dbraw/zinc/47/08/02/487470802.db2.gz RYTQLFIWYRMXTC-SNVBAGLBSA-N 0 3 233.336 3.305 20 0 BGADHN CO[C@H]1CCCC[C@@H]1N[C@@H](C)c1ccsc1 ZINC000061361655 324070843 /nfs/dbraw/zinc/07/08/43/324070843.db2.gz VBFORZAWIHRCCC-DRZSPHRISA-N 0 3 239.384 3.356 20 0 BGADHN CO[C@H]1CCCC[C@@H]1N[C@H](C)c1ccsc1 ZINC000061361656 324070733 /nfs/dbraw/zinc/07/07/33/324070733.db2.gz VBFORZAWIHRCCC-WXHSDQCUSA-N 0 3 239.384 3.356 20 0 BGADHN C[C@@H](NC[C@H]1CCC=CO1)c1ccsc1 ZINC000061361738 188183979 /nfs/dbraw/zinc/18/39/79/188183979.db2.gz GJPYRCDVHDAXSA-ZYHUDNBSSA-N 0 3 223.341 3.091 20 0 BGADHN CC(C)OCCN[C@@H]1CCCc2sccc21 ZINC000061362074 167244463 /nfs/dbraw/zinc/24/44/63/167244463.db2.gz YZVXOKWEPGDFEJ-GFCCVEGCSA-N 0 3 239.384 3.140 20 0 BGADHN CC(C)OCCN[C@H]1CCCc2sccc21 ZINC000061362075 167246018 /nfs/dbraw/zinc/24/60/18/167246018.db2.gz YZVXOKWEPGDFEJ-LBPRGKRZSA-N 0 3 239.384 3.140 20 0 BGADHN Clc1ccccc1CN[C@@H]1CCCSC1 ZINC000061570975 386520874 /nfs/dbraw/zinc/52/08/74/386520874.db2.gz VQVSVJAPVOLDAY-LLVKDONJSA-N 0 3 241.787 3.325 20 0 BGADHN Clc1ccccc1CN[C@H]1CCCSC1 ZINC000061570980 386518737 /nfs/dbraw/zinc/51/87/37/386518737.db2.gz VQVSVJAPVOLDAY-NSHDSACASA-N 0 3 241.787 3.325 20 0 BGADHN c1cc2c(o1)CCC[C@H]2N[C@@H]1CCCSC1 ZINC000061572360 183373864 /nfs/dbraw/zinc/37/38/64/183373864.db2.gz VIOLCXMGUOAKAN-ZYHUDNBSSA-N 0 3 237.368 3.142 20 0 BGADHN c1cc2c(o1)CCC[C@@H]2N[C@@H]1CCCSC1 ZINC000061572363 183373279 /nfs/dbraw/zinc/37/32/79/183373279.db2.gz VIOLCXMGUOAKAN-PWSUYJOCSA-N 0 3 237.368 3.142 20 0 BGADHN c1cc2c(o1)CCC[C@H]2N[C@H]1CCCSC1 ZINC000061572365 183372718 /nfs/dbraw/zinc/37/27/18/183372718.db2.gz VIOLCXMGUOAKAN-CMPLNLGQSA-N 0 3 237.368 3.142 20 0 BGADHN c1cc2c(o1)CCC[C@@H]2N[C@H]1CCCSC1 ZINC000061572367 183372828 /nfs/dbraw/zinc/37/28/28/183372828.db2.gz VIOLCXMGUOAKAN-JQWIXIFHSA-N 0 3 237.368 3.142 20 0 BGADHN Cc1ccc([C@@H](C)N[C@@H]2CCCSC2)o1 ZINC000061575370 386520808 /nfs/dbraw/zinc/52/08/08/386520808.db2.gz CNCVPPGBXLEYLU-GHMZBOCLSA-N 0 3 225.357 3.134 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H]2CCCSC2)o1 ZINC000061575372 386520618 /nfs/dbraw/zinc/52/06/18/386520618.db2.gz CNCVPPGBXLEYLU-WDEREUQCSA-N 0 3 225.357 3.134 20 0 BGADHN Cc1ccc([C@@H](C)N[C@H]2CCCSC2)o1 ZINC000061575376 386520262 /nfs/dbraw/zinc/52/02/62/386520262.db2.gz CNCVPPGBXLEYLU-MNOVXSKESA-N 0 3 225.357 3.134 20 0 BGADHN Cc1ccc([C@H](C)N[C@H]2CCCSC2)o1 ZINC000061575379 386520313 /nfs/dbraw/zinc/52/03/13/386520313.db2.gz CNCVPPGBXLEYLU-QWRGUYRKSA-N 0 3 225.357 3.134 20 0 BGADHN C[C@H](N[C@@H]1CCCSC1)c1ccccc1F ZINC000061588379 385124971 /nfs/dbraw/zinc/12/49/71/385124971.db2.gz WVFAXKURNTXMNY-WDEREUQCSA-N 0 3 239.359 3.372 20 0 BGADHN C[C@@H](N[C@@H]1CCCSC1)c1ccccc1F ZINC000061588380 385126778 /nfs/dbraw/zinc/12/67/78/385126778.db2.gz WVFAXKURNTXMNY-GHMZBOCLSA-N 0 3 239.359 3.372 20 0 BGADHN C[C@H](N[C@H]1CCCSC1)c1ccccc1F ZINC000061588381 385125585 /nfs/dbraw/zinc/12/55/85/385125585.db2.gz WVFAXKURNTXMNY-QWRGUYRKSA-N 0 3 239.359 3.372 20 0 BGADHN C[C@@H](N[C@H]1CCCSC1)c1ccccc1F ZINC000061588382 385125367 /nfs/dbraw/zinc/12/53/67/385125367.db2.gz WVFAXKURNTXMNY-MNOVXSKESA-N 0 3 239.359 3.372 20 0 BGADHN Cc1cc([C@@H](C)N[C@@H]2CCCSC2)c(C)o1 ZINC000061589350 178230599 /nfs/dbraw/zinc/23/05/99/178230599.db2.gz KJKCKVLHKADKRO-ZYHUDNBSSA-N 0 3 239.384 3.443 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CCCSC2)c(C)o1 ZINC000061589351 178254337 /nfs/dbraw/zinc/25/43/37/178254337.db2.gz KJKCKVLHKADKRO-CMPLNLGQSA-N 0 3 239.384 3.443 20 0 BGADHN Cc1cc([C@@H](C)N[C@H]2CCCSC2)c(C)o1 ZINC000061589352 178233422 /nfs/dbraw/zinc/23/34/22/178233422.db2.gz KJKCKVLHKADKRO-PWSUYJOCSA-N 0 3 239.384 3.443 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2CCCSC2)c(C)o1 ZINC000061589353 178258439 /nfs/dbraw/zinc/25/84/39/178258439.db2.gz KJKCKVLHKADKRO-JQWIXIFHSA-N 0 3 239.384 3.443 20 0 BGADHN CCC(CC)NCc1ccn(-c2ccccc2)n1 ZINC000061640856 168389210 /nfs/dbraw/zinc/38/92/10/168389210.db2.gz CLROFWUXRNWFHV-UHFFFAOYSA-N 0 3 243.354 3.151 20 0 BGADHN CCCCCNCc1ccn(-c2ccccc2)n1 ZINC000061640863 487477007 /nfs/dbraw/zinc/47/70/07/487477007.db2.gz IAECUJLQDMTCNE-UHFFFAOYSA-N 0 3 243.354 3.152 20 0 BGADHN CCC[C@@H](C)NCc1ccn(-c2ccccc2)n1 ZINC000061640866 358935503 /nfs/dbraw/zinc/93/55/03/358935503.db2.gz KHYPAJDVMLJVAC-CYBMUJFWSA-N 0 3 243.354 3.151 20 0 BGADHN CCC[C@H](C)NCc1ccn(-c2ccccc2)n1 ZINC000061640867 358935491 /nfs/dbraw/zinc/93/54/91/358935491.db2.gz KHYPAJDVMLJVAC-ZDUSSCGKSA-N 0 3 243.354 3.151 20 0 BGADHN CC(C)CCNCc1ccn(-c2ccccc2)n1 ZINC000061640880 640982093 /nfs/dbraw/zinc/98/20/93/640982093.db2.gz XNAUWEJEKBQSGR-UHFFFAOYSA-N 0 3 243.354 3.008 20 0 BGADHN CC(C)[C@@H](C)NCc1ccn(-c2ccccc2)n1 ZINC000061640941 167384087 /nfs/dbraw/zinc/38/40/87/167384087.db2.gz IISNDFYZWZDHQT-CYBMUJFWSA-N 0 3 243.354 3.006 20 0 BGADHN CC(C)[C@H](C)NCc1ccn(-c2ccccc2)n1 ZINC000061640942 640982050 /nfs/dbraw/zinc/98/20/50/640982050.db2.gz IISNDFYZWZDHQT-ZDUSSCGKSA-N 0 3 243.354 3.006 20 0 BGADHN CC(C)(C)CNCc1ccn(-c2ccccc2)n1 ZINC000061641032 358935304 /nfs/dbraw/zinc/93/53/04/358935304.db2.gz CAHDZFVDQWEUOR-UHFFFAOYSA-N 0 3 243.354 3.008 20 0 BGADHN CC[C@@H](C)CNCc1ccn(-c2ccccc2)n1 ZINC000061641171 358936700 /nfs/dbraw/zinc/93/67/00/358936700.db2.gz FZICGRGHPORXNZ-CYBMUJFWSA-N 0 3 243.354 3.008 20 0 BGADHN CC[C@H](C)CNCc1ccn(-c2ccccc2)n1 ZINC000061641172 358936750 /nfs/dbraw/zinc/93/67/50/358936750.db2.gz FZICGRGHPORXNZ-ZDUSSCGKSA-N 0 3 243.354 3.008 20 0 BGADHN c1sc(CNC2CCC2)nc1-c1ccccc1 ZINC000061681028 183382630 /nfs/dbraw/zinc/38/26/30/183382630.db2.gz RVNXHWPPEJYHFK-UHFFFAOYSA-N 0 3 244.363 3.452 20 0 BGADHN COc1ccc(F)cc1CN1CCCCCC1 ZINC000061744744 368568586 /nfs/dbraw/zinc/56/85/86/368568586.db2.gz TUEPLJBHVFQPRW-UHFFFAOYSA-N 0 3 237.318 3.210 20 0 BGADHN CC(=O)c1c(C)cc(C)c(CN2CCCC2)c1C ZINC000061745602 188128237 /nfs/dbraw/zinc/12/82/37/188128237.db2.gz ZHAPCCFZLFFNSY-UHFFFAOYSA-N 0 3 245.366 3.410 20 0 BGADHN CC[C@@H]1CCCCN1Cc1cn2ccccc2n1 ZINC000061745673 343728722 /nfs/dbraw/zinc/72/87/22/343728722.db2.gz GRSDTLCVBOLARB-CQSZACIVSA-N 0 3 243.354 3.099 20 0 BGADHN COc1ccc(F)cc1CN1CCC[C@H](C)C1 ZINC000061757254 368569075 /nfs/dbraw/zinc/56/90/75/368569075.db2.gz DHOGCVCQQAKDHC-NSHDSACASA-N 0 3 237.318 3.066 20 0 BGADHN CCN(CC)Cc1cc(Cl)ccc1OC ZINC000061757485 350528565 /nfs/dbraw/zinc/52/85/65/350528565.db2.gz AELYVSPPRMPZBE-UHFFFAOYSA-N 0 3 227.735 3.190 20 0 BGADHN CCCCN(C)Cc1nc2ccccc2nc1C ZINC000061757532 384208060 /nfs/dbraw/zinc/20/80/60/384208060.db2.gz XVZIJHFQABTQHR-UHFFFAOYSA-N 0 3 243.354 3.170 20 0 BGADHN CCCCN(C)Cc1nc2ccccc2o1 ZINC000061757538 385139397 /nfs/dbraw/zinc/13/93/97/385139397.db2.gz DFSIFSJYZADVTF-UHFFFAOYSA-N 0 3 218.300 3.060 20 0 BGADHN CCCCN(C)Cc1cc(C)ccc1OC ZINC000061757686 369844456 /nfs/dbraw/zinc/84/44/56/369844456.db2.gz UFJIDOOQWYQXAO-UHFFFAOYSA-N 0 3 221.344 3.236 20 0 BGADHN CCCCN(C)Cc1ccc(F)c(F)c1 ZINC000061757692 360662148 /nfs/dbraw/zinc/66/21/48/360662148.db2.gz IFESJKAOXYDJDO-UHFFFAOYSA-N 0 3 213.271 3.197 20 0 BGADHN C[C@H]1C[C@H](C)CN(Cc2nc3ccccc3o2)C1 ZINC000061757824 387844457 /nfs/dbraw/zinc/84/44/57/387844457.db2.gz LXQMKDNJGMDERK-RYUDHWBXSA-N 0 3 244.338 3.306 20 0 BGADHN CCN(Cc1ccccc1)C[C@@H]1CCCCO1 ZINC000061758159 368569128 /nfs/dbraw/zinc/56/91/28/368569128.db2.gz WALYLKVJUUHRLU-HNNXBMFYSA-N 0 3 233.355 3.078 20 0 BGADHN COc1ccc(F)cc1CN1CCCC[C@H]1C ZINC000061758347 368568198 /nfs/dbraw/zinc/56/81/98/368568198.db2.gz CFGCTLYBZAWYPA-LLVKDONJSA-N 0 3 237.318 3.209 20 0 BGADHN c1c(CN2CCCCCCC2)nc2ccccn12 ZINC000061758475 640993289 /nfs/dbraw/zinc/99/32/89/640993289.db2.gz VLTRREVLGRAZFZ-UHFFFAOYSA-N 0 3 243.354 3.100 20 0 BGADHN C#CCN(C)C(c1ccccc1)c1ccccc1 ZINC000061758794 640994037 /nfs/dbraw/zinc/99/40/37/640994037.db2.gz MREVPYSKJISWBZ-UHFFFAOYSA-N 0 3 235.330 3.341 20 0 BGADHN CC(C)c1ccc(CN(C)C[C@@H]2CCCO2)cc1 ZINC000061779642 368569725 /nfs/dbraw/zinc/56/97/25/368569725.db2.gz RVUBXABJYLWCNK-INIZCTEOSA-N 0 3 247.382 3.421 20 0 BGADHN CN(CCCOc1ccccc1)Cc1ccco1 ZINC000061783367 387847213 /nfs/dbraw/zinc/84/72/13/387847213.db2.gz PFKDOTSCPLIBRI-UHFFFAOYSA-N 0 3 245.322 3.181 20 0 BGADHN CCN(Cc1cccs1)C[C@H]1CCCCO1 ZINC000061785384 368568448 /nfs/dbraw/zinc/56/84/48/368568448.db2.gz ROLDVWDTYNNTHD-GFCCVEGCSA-N 0 3 239.384 3.139 20 0 BGADHN Cc1ccsc1CN(C)C[C@H]1CCCCO1 ZINC000061798671 368569947 /nfs/dbraw/zinc/56/99/47/368569947.db2.gz ZBBCDAIMOBCFPC-GFCCVEGCSA-N 0 3 239.384 3.057 20 0 BGADHN Cc1noc(C)c1CN(C)C1CCC(C)CC1 ZINC000061799057 368570302 /nfs/dbraw/zinc/57/03/02/368570302.db2.gz XSOSWWOBLPEBPJ-UHFFFAOYSA-N 0 3 236.359 3.302 20 0 BGADHN CCCNCc1ncc(-c2ccccc2)s1 ZINC000061799292 387847095 /nfs/dbraw/zinc/84/70/95/387847095.db2.gz BHPXJRJTCBVHHT-UHFFFAOYSA-N 0 3 232.352 3.310 20 0 BGADHN CC(C)CNCc1nc2c(s1)C[C@H](C)CC2 ZINC000061799868 167010572 /nfs/dbraw/zinc/01/05/72/167010572.db2.gz NJFJAPGEIKZVGF-SNVBAGLBSA-N 0 3 238.400 3.014 20 0 BGADHN CC(C)CNCc1nc2c(s1)C[C@@H](C)CC2 ZINC000061799888 167009450 /nfs/dbraw/zinc/00/94/50/167009450.db2.gz NJFJAPGEIKZVGF-JTQLQIEISA-N 0 3 238.400 3.014 20 0 BGADHN CC(C)CNCc1nc(C(C)C)cs1 ZINC000061800086 167009816 /nfs/dbraw/zinc/00/98/16/167009816.db2.gz BITHAGWROWPATJ-UHFFFAOYSA-N 0 3 212.362 3.012 20 0 BGADHN CC(C)CNCc1nc(C(C)(C)C)cs1 ZINC000061800152 167009468 /nfs/dbraw/zinc/00/94/68/167009468.db2.gz HNNPRCGECDHSEJ-UHFFFAOYSA-N 0 3 226.389 3.186 20 0 BGADHN CN(CCOc1ccccc1)Cc1ccsc1 ZINC000061800179 387847327 /nfs/dbraw/zinc/84/73/27/387847327.db2.gz ROENCJBXBINFGP-UHFFFAOYSA-N 0 3 247.363 3.259 20 0 BGADHN Cc1sc(CNCC(C)C)nc1C(C)C ZINC000061800608 386534854 /nfs/dbraw/zinc/53/48/54/386534854.db2.gz ZCHYYYDAKCUJLD-UHFFFAOYSA-N 0 3 226.389 3.321 20 0 BGADHN C[C@H](c1ccccc1)N(C)C[C@@H]1CCCCO1 ZINC000061801499 177038286 /nfs/dbraw/zinc/03/82/86/177038286.db2.gz ARGWHBQNJRLJIU-HIFRSBDPSA-N 0 3 233.355 3.249 20 0 BGADHN CC1(C)CCN(CCC(=O)c2ccccc2)CC1 ZINC000061822232 387846683 /nfs/dbraw/zinc/84/66/83/387846683.db2.gz KFRJHQZIDWDRHK-UHFFFAOYSA-N 0 3 245.366 3.381 20 0 BGADHN C[C@@H](CCNCc1cncs1)c1ccccc1 ZINC000061910132 385143689 /nfs/dbraw/zinc/14/36/89/385143689.db2.gz MLKOVDBMSYZAIT-LBPRGKRZSA-N 0 3 246.379 3.427 20 0 BGADHN C[C@H](CCNCc1cncs1)c1ccccc1 ZINC000061910133 385145923 /nfs/dbraw/zinc/14/59/23/385145923.db2.gz MLKOVDBMSYZAIT-GFCCVEGCSA-N 0 3 246.379 3.427 20 0 BGADHN CC(=O)CCN(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000062015543 188360050 /nfs/dbraw/zinc/36/00/50/188360050.db2.gz FHDSULHQPOVLQJ-NSHDSACASA-N 0 3 239.746 3.312 20 0 BGADHN CC(=O)CCN(C)[C@H](C)c1ccc(Cl)cc1 ZINC000062015544 188183881 /nfs/dbraw/zinc/18/38/81/188183881.db2.gz FHDSULHQPOVLQJ-LLVKDONJSA-N 0 3 239.746 3.312 20 0 BGADHN CC(=O)CCN(C)[C@@H](C)c1cccc(Cl)c1 ZINC000062015663 386560757 /nfs/dbraw/zinc/56/07/57/386560757.db2.gz YVNGZVOGXFGTLB-NSHDSACASA-N 0 3 239.746 3.312 20 0 BGADHN CC(=O)CCN(C)[C@H](C)c1cccc(Cl)c1 ZINC000062015664 188360886 /nfs/dbraw/zinc/36/08/86/188360886.db2.gz YVNGZVOGXFGTLB-LLVKDONJSA-N 0 3 239.746 3.312 20 0 BGADHN CC[C@H](O)CN(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000062016010 385150364 /nfs/dbraw/zinc/15/03/64/385150364.db2.gz ZNXNUYOACOLFSW-GWCFXTLKSA-N 0 3 241.762 3.104 20 0 BGADHN CC[C@@H](O)CN(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000062016011 343732023 /nfs/dbraw/zinc/73/20/23/343732023.db2.gz ZNXNUYOACOLFSW-GXFFZTMASA-N 0 3 241.762 3.104 20 0 BGADHN C[C@@H](c1ccccc1Cl)N(C)CCCCO ZINC000062016022 176023842 /nfs/dbraw/zinc/02/38/42/176023842.db2.gz PVGXIBBYCFSORV-NSHDSACASA-N 0 3 241.762 3.105 20 0 BGADHN C[C@H](c1ccccc1Cl)N(C)CCCCO ZINC000062016023 177042022 /nfs/dbraw/zinc/04/20/22/177042022.db2.gz PVGXIBBYCFSORV-LLVKDONJSA-N 0 3 241.762 3.105 20 0 BGADHN CC[C@H](O)CN(C)[C@@H](C)c1ccccc1Cl ZINC000062016034 385152343 /nfs/dbraw/zinc/15/23/43/385152343.db2.gz CBJXUDSXPUVPAA-QWRGUYRKSA-N 0 3 241.762 3.104 20 0 BGADHN CC[C@@H](O)CN(C)[C@@H](C)c1ccccc1Cl ZINC000062016035 343731907 /nfs/dbraw/zinc/73/19/07/343731907.db2.gz CBJXUDSXPUVPAA-WDEREUQCSA-N 0 3 241.762 3.104 20 0 BGADHN C[C@@H](c1ccccc1Cl)N(C)CC(C)(C)O ZINC000062016039 176023586 /nfs/dbraw/zinc/02/35/86/176023586.db2.gz IYEFVMNHCZPJOL-JTQLQIEISA-N 0 3 241.762 3.104 20 0 BGADHN C[C@H](c1ccccc1Cl)N(C)CC(C)(C)O ZINC000062016040 177041057 /nfs/dbraw/zinc/04/10/57/177041057.db2.gz IYEFVMNHCZPJOL-SNVBAGLBSA-N 0 3 241.762 3.104 20 0 BGADHN CC[C@H](O)CN(C)[C@@H](C)c1cccc(Cl)c1 ZINC000062016064 385150138 /nfs/dbraw/zinc/15/01/38/385150138.db2.gz ILGXEEROHQLBCU-GWCFXTLKSA-N 0 3 241.762 3.104 20 0 BGADHN CC[C@@H](O)CN(C)[C@@H](C)c1cccc(Cl)c1 ZINC000062016065 343731748 /nfs/dbraw/zinc/73/17/48/343731748.db2.gz ILGXEEROHQLBCU-GXFFZTMASA-N 0 3 241.762 3.104 20 0 BGADHN Cc1ccc(CN[C@@H](C)c2ccc(F)cc2)cn1 ZINC000062050769 398110675 /nfs/dbraw/zinc/11/06/75/398110675.db2.gz DVFPJCQSPJYTSO-LBPRGKRZSA-N 0 3 244.313 3.380 20 0 BGADHN Cc1ccc(CN[C@H](C)c2ccc(F)cc2)cn1 ZINC000062050771 398110809 /nfs/dbraw/zinc/11/08/09/398110809.db2.gz DVFPJCQSPJYTSO-GFCCVEGCSA-N 0 3 244.313 3.380 20 0 BGADHN Cc1ccc(CN[C@@H]2CCc3ccccc32)cn1 ZINC000062050807 385150378 /nfs/dbraw/zinc/15/03/78/385150378.db2.gz GOXGETNFWXCBBX-MRXNPFEDSA-N 0 3 238.334 3.167 20 0 BGADHN Cc1ccc(CN[C@H]2CCc3ccccc32)cn1 ZINC000062050810 385151422 /nfs/dbraw/zinc/15/14/22/385151422.db2.gz GOXGETNFWXCBBX-INIZCTEOSA-N 0 3 238.334 3.167 20 0 BGADHN Cc1ccc(CN[C@@H](C)c2ccccc2)cn1 ZINC000062050811 385152432 /nfs/dbraw/zinc/15/24/32/385152432.db2.gz JQBRIJDLYCBWMR-ZDUSSCGKSA-N 0 3 226.323 3.241 20 0 BGADHN Cc1ccc(CN[C@H](C)c2ccccc2)cn1 ZINC000062050813 385152523 /nfs/dbraw/zinc/15/25/23/385152523.db2.gz JQBRIJDLYCBWMR-CYBMUJFWSA-N 0 3 226.323 3.241 20 0 BGADHN Cc1ccc(CN[C@@H](C)c2cccs2)cn1 ZINC000062051056 385150699 /nfs/dbraw/zinc/15/06/99/385150699.db2.gz JUUOSFGGNHBYSQ-NSHDSACASA-N 0 3 232.352 3.302 20 0 BGADHN Cc1ccc(CN[C@H](C)c2cccs2)cn1 ZINC000062051057 385152396 /nfs/dbraw/zinc/15/23/96/385152396.db2.gz JUUOSFGGNHBYSQ-LLVKDONJSA-N 0 3 232.352 3.302 20 0 BGADHN Cc1ccc(CNCc2ccc(F)c(C)c2)cn1 ZINC000062051430 398110592 /nfs/dbraw/zinc/11/05/92/398110592.db2.gz HUVCETYPICMPPV-UHFFFAOYSA-N 0 3 244.313 3.127 20 0 BGADHN CCc1ccc(CNCc2ccc(C)nc2)s1 ZINC000062051439 398110097 /nfs/dbraw/zinc/11/00/97/398110097.db2.gz VQQNRNGXJHZLOL-UHFFFAOYSA-N 0 3 246.379 3.304 20 0 BGADHN CCc1ccccc1CNCc1ccc(C)nc1 ZINC000062051515 487491726 /nfs/dbraw/zinc/49/17/26/487491726.db2.gz VMHYXNAFBGRSDO-UHFFFAOYSA-N 0 3 240.350 3.242 20 0 BGADHN Cc1cc(CNCc2ccc(C)nc2)c(C)s1 ZINC000062051686 349436384 /nfs/dbraw/zinc/43/63/84/349436384.db2.gz RWFZWVVHHHFRGI-UHFFFAOYSA-N 0 3 246.379 3.358 20 0 BGADHN COc1cc(CN[C@@H](C)c2cccs2)ccn1 ZINC000062057826 385154267 /nfs/dbraw/zinc/15/42/67/385154267.db2.gz OCPKICROPUKSFG-JTQLQIEISA-N 0 3 248.351 3.003 20 0 BGADHN COc1cc(CN[C@H](C)c2cccs2)ccn1 ZINC000062057827 385153509 /nfs/dbraw/zinc/15/35/09/385153509.db2.gz OCPKICROPUKSFG-SNVBAGLBSA-N 0 3 248.351 3.003 20 0 BGADHN c1cc(CN[C@H]2CCCc3ccccc32)co1 ZINC000062103296 385157126 /nfs/dbraw/zinc/15/71/26/385157126.db2.gz ZHGYBZMKAFZJTG-HNNXBMFYSA-N 0 3 227.307 3.447 20 0 BGADHN c1cc(CN[C@@H]2CCCc3ccccc32)co1 ZINC000062103297 385157305 /nfs/dbraw/zinc/15/73/05/385157305.db2.gz ZHGYBZMKAFZJTG-OAHLLOKOSA-N 0 3 227.307 3.447 20 0 BGADHN Clc1ccc(CCNCc2ccoc2)cc1 ZINC000062103302 387850471 /nfs/dbraw/zinc/85/04/71/387850471.db2.gz HCXICSHXHFOETE-UHFFFAOYSA-N 0 3 235.714 3.265 20 0 BGADHN c1cc(CNCCC2CCCCC2)co1 ZINC000062103524 386566744 /nfs/dbraw/zinc/56/67/44/386566744.db2.gz SYBROWBEMVVFQY-UHFFFAOYSA-N 0 3 207.317 3.340 20 0 BGADHN C[C@@H](Cc1cccs1)NCc1ccoc1 ZINC000062103527 344409073 /nfs/dbraw/zinc/40/90/73/344409073.db2.gz LJEWATSPSUYZAF-JTQLQIEISA-N 0 3 221.325 3.062 20 0 BGADHN C[C@H](Cc1cccs1)NCc1ccoc1 ZINC000062103528 344409097 /nfs/dbraw/zinc/40/90/97/344409097.db2.gz LJEWATSPSUYZAF-SNVBAGLBSA-N 0 3 221.325 3.062 20 0 BGADHN CC(C)(CNCc1ccoc1)c1ccccc1 ZINC000062103609 344409106 /nfs/dbraw/zinc/40/91/06/344409106.db2.gz PIGYXOKRHXBZBF-UHFFFAOYSA-N 0 3 229.323 3.347 20 0 BGADHN C[C@@H](Cc1ccc(F)cc1)NCc1ccoc1 ZINC000062103673 323982826 /nfs/dbraw/zinc/98/28/26/323982826.db2.gz LDNWLUAUGXUCKY-NSHDSACASA-N 0 3 233.286 3.140 20 0 BGADHN C[C@H](Cc1ccc(F)cc1)NCc1ccoc1 ZINC000062103674 323982666 /nfs/dbraw/zinc/98/26/66/323982666.db2.gz LDNWLUAUGXUCKY-LLVKDONJSA-N 0 3 233.286 3.140 20 0 BGADHN COc1ccccc1C[C@H](C)NCc1ccoc1 ZINC000062103681 175334192 /nfs/dbraw/zinc/33/41/92/175334192.db2.gz FNHQSVAHBFGEID-LBPRGKRZSA-N 0 3 245.322 3.009 20 0 BGADHN COc1ccccc1C[C@@H](C)NCc1ccoc1 ZINC000062103682 385157104 /nfs/dbraw/zinc/15/71/04/385157104.db2.gz FNHQSVAHBFGEID-GFCCVEGCSA-N 0 3 245.322 3.009 20 0 BGADHN C[C@@H](Cc1ccsc1)NCc1ccoc1 ZINC000062103715 349437366 /nfs/dbraw/zinc/43/73/66/349437366.db2.gz UFEAFYYUSNPZEP-JTQLQIEISA-N 0 3 221.325 3.062 20 0 BGADHN C[C@H](Cc1ccsc1)NCc1ccoc1 ZINC000062103716 349437598 /nfs/dbraw/zinc/43/75/98/349437598.db2.gz UFEAFYYUSNPZEP-SNVBAGLBSA-N 0 3 221.325 3.062 20 0 BGADHN Cc1ccccc1C[C@@H](C)NCc1ccoc1 ZINC000062103815 179288322 /nfs/dbraw/zinc/28/83/22/179288322.db2.gz WJIPRPYWORNRFM-CYBMUJFWSA-N 0 3 229.323 3.309 20 0 BGADHN Cc1ccccc1C[C@H](C)NCc1ccoc1 ZINC000062103816 179291337 /nfs/dbraw/zinc/29/13/37/179291337.db2.gz WJIPRPYWORNRFM-ZDUSSCGKSA-N 0 3 229.323 3.309 20 0 BGADHN Cc1ccc(OC[C@@H](C)NCc2ccoc2)cc1 ZINC000062103832 641021562 /nfs/dbraw/zinc/02/15/62/641021562.db2.gz PQGGOPMAQSIXHO-CYBMUJFWSA-N 0 3 245.322 3.145 20 0 BGADHN Cc1ccc(OC[C@H](C)NCc2ccoc2)cc1 ZINC000062103833 641022094 /nfs/dbraw/zinc/02/20/94/641022094.db2.gz PQGGOPMAQSIXHO-ZDUSSCGKSA-N 0 3 245.322 3.145 20 0 BGADHN COC[C@@H]1CCCN(C/C=C/c2ccccc2)C1 ZINC000062160756 385163135 /nfs/dbraw/zinc/16/31/35/385163135.db2.gz CXBJYXNKULXWJM-DXWDOBMASA-N 0 3 245.366 3.058 20 0 BGADHN COC[C@H]1CCCN(C/C=C/c2ccccc2)C1 ZINC000062160758 385163125 /nfs/dbraw/zinc/16/31/25/385163125.db2.gz CXBJYXNKULXWJM-RDTXFTJFSA-N 0 3 245.366 3.058 20 0 BGADHN CCNCc1nc(C)c(-c2ccccc2)s1 ZINC000062182357 170132057 /nfs/dbraw/zinc/13/20/57/170132057.db2.gz GVTHFJJVEBVKME-UHFFFAOYSA-N 0 3 232.352 3.228 20 0 BGADHN CCN(Cc1ccccc1)Cc1cccc(O)c1 ZINC000062183924 343046300 /nfs/dbraw/zinc/04/63/00/343046300.db2.gz NLIBJODBBFWIPN-UHFFFAOYSA-N 0 3 241.334 3.414 20 0 BGADHN CN(Cc1ccccc1)Cc1cccc(O)c1 ZINC000062183936 384754205 /nfs/dbraw/zinc/75/42/05/384754205.db2.gz IBWOAUIRBOJJRE-UHFFFAOYSA-N 0 3 227.307 3.024 20 0 BGADHN CCN(Cc1ccccc1)Cc1ccc(O)cc1 ZINC000062183985 487496549 /nfs/dbraw/zinc/49/65/49/487496549.db2.gz VQJSDJHHGLIONE-UHFFFAOYSA-N 0 3 241.334 3.414 20 0 BGADHN C#CCN(CCCC)Cc1ccc(F)cc1 ZINC000062363892 641041878 /nfs/dbraw/zinc/04/18/78/641041878.db2.gz NFMMXHFOMBSGHA-UHFFFAOYSA-N 0 3 219.303 3.061 20 0 BGADHN C#CCN(C/C=C/Cl)C1CCCCC1 ZINC000062364681 643728440 /nfs/dbraw/zinc/72/84/40/643728440.db2.gz ZQZZBBHNRVZUIJ-RMKNXTFCSA-N 0 3 211.736 3.007 20 0 BGADHN Cc1nc2ccccc2nc1CN(C)CC(C)C ZINC000062364922 346243570 /nfs/dbraw/zinc/24/35/70/346243570.db2.gz RJCPNAFVYGAASR-UHFFFAOYSA-N 0 3 243.354 3.026 20 0 BGADHN Cc1ccc(F)cc1CNCc1cccs1 ZINC000062665618 387856194 /nfs/dbraw/zinc/85/61/94/387856194.db2.gz ABXRMTQBBRAACB-UHFFFAOYSA-N 0 3 235.327 3.485 20 0 BGADHN Cc1ccc(F)cc1CNCc1ccccc1 ZINC000062665622 387855376 /nfs/dbraw/zinc/85/53/76/387855376.db2.gz GVTOPCCYNFILOH-UHFFFAOYSA-N 0 3 229.298 3.424 20 0 BGADHN CCCCCNCc1cc(F)c(F)c(F)c1 ZINC000062705511 386522331 /nfs/dbraw/zinc/52/23/31/386522331.db2.gz DSQRCPAEMUMJCS-UHFFFAOYSA-N 0 3 231.261 3.384 20 0 BGADHN CCCN[C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000062706496 387109390 /nfs/dbraw/zinc/10/93/90/387109390.db2.gz WEXRUYCYVQGRBV-SECBINFHSA-N 0 3 229.245 3.091 20 0 BGADHN CCCN[C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000062706498 387109527 /nfs/dbraw/zinc/10/95/27/387109527.db2.gz WEXRUYCYVQGRBV-VIFPVBQESA-N 0 3 229.245 3.091 20 0 BGADHN CC(C)CNCc1nc2ccccc2n1C1CC1 ZINC000062742439 387124305 /nfs/dbraw/zinc/12/43/05/387124305.db2.gz CNXJXBPJZUQOKA-UHFFFAOYSA-N 0 3 243.354 3.117 20 0 BGADHN CCN[C@@H](C)c1ccc(F)cc1OC(F)F ZINC000062747060 170141624 /nfs/dbraw/zinc/14/16/24/170141624.db2.gz OLJCQTLTAJSQLH-ZETCQYMHSA-N 0 3 233.233 3.098 20 0 BGADHN CCN[C@H](C)c1ccc(F)cc1OC(F)F ZINC000062747061 170159035 /nfs/dbraw/zinc/15/90/35/170159035.db2.gz OLJCQTLTAJSQLH-SSDOTTSWSA-N 0 3 233.233 3.098 20 0 BGADHN CCCN[C@@H](C)c1ccc(F)cc1OC(F)F ZINC000062747438 517590197 /nfs/dbraw/zinc/59/01/97/517590197.db2.gz YXPKIKXVIRMYOQ-QMMMGPOBSA-N 0 3 247.260 3.488 20 0 BGADHN CCCN[C@H](C)c1ccc(F)cc1OC(F)F ZINC000062747439 384758807 /nfs/dbraw/zinc/75/88/07/384758807.db2.gz YXPKIKXVIRMYOQ-MRVPVSSYSA-N 0 3 247.260 3.488 20 0 BGADHN CCCCNCc1cnc(C(C)(C)C)s1 ZINC000062838778 386623889 /nfs/dbraw/zinc/62/38/89/386623889.db2.gz HFAQQXWSTNBHKZ-UHFFFAOYSA-N 0 3 226.389 3.330 20 0 BGADHN CC(C)(C)c1ncc(CNC2CCC2)s1 ZINC000062839055 187323681 /nfs/dbraw/zinc/32/36/81/187323681.db2.gz XFUBRSDMJQVDMK-UHFFFAOYSA-N 0 3 224.373 3.083 20 0 BGADHN CCC1(CC)CCN(Cc2ccc(N)nc2)CC1 ZINC000062956758 168458464 /nfs/dbraw/zinc/45/84/64/168458464.db2.gz AAOIMIGQBTXBRU-UHFFFAOYSA-N 0 3 247.386 3.066 20 0 BGADHN CCC1(CC)CCN(Cc2cccnc2N)CC1 ZINC000062956770 385199311 /nfs/dbraw/zinc/19/93/11/385199311.db2.gz IBFODPWOSOAGKX-UHFFFAOYSA-N 0 3 247.386 3.066 20 0 BGADHN CCC1(CC)CCN(Cc2ccnc(N)c2)CC1 ZINC000062956773 386660716 /nfs/dbraw/zinc/66/07/16/386660716.db2.gz JZANOFIJCYKMCG-UHFFFAOYSA-N 0 3 247.386 3.066 20 0 BGADHN C[C@H](N[C@H](CO)c1ccccc1)c1cccs1 ZINC000062999335 385198759 /nfs/dbraw/zinc/19/87/59/385198759.db2.gz XJNUYHHZXJCEOK-WCQYABFASA-N 0 3 247.363 3.132 20 0 BGADHN C[C@@H](N[C@H](CO)c1ccccc1)c1cccs1 ZINC000062999336 385198371 /nfs/dbraw/zinc/19/83/71/385198371.db2.gz XJNUYHHZXJCEOK-DGCLKSJQSA-N 0 3 247.363 3.132 20 0 BGADHN C[C@H](N[C@H](CO)c1ccccc1)c1ccccc1 ZINC000062999441 176917283 /nfs/dbraw/zinc/91/72/83/176917283.db2.gz AAVFDIYAYZSKDC-XJKSGUPXSA-N 0 3 241.334 3.071 20 0 BGADHN C[C@@H](N[C@H](CO)c1ccccc1)c1ccccc1 ZINC000062999442 385198795 /nfs/dbraw/zinc/19/87/95/385198795.db2.gz AAVFDIYAYZSKDC-CZUORRHYSA-N 0 3 241.334 3.071 20 0 BGADHN CC1(C)CCCN1Cc1ccnc(Cl)c1 ZINC000063063712 351044932 /nfs/dbraw/zinc/04/49/32/351044932.db2.gz OGPZHHKTEGGLTH-UHFFFAOYSA-N 0 3 224.735 3.109 20 0 BGADHN CC1(C)CCCN1CCC(=O)c1ccc(F)cc1 ZINC000063071720 349505979 /nfs/dbraw/zinc/50/59/79/349505979.db2.gz IGDMBXMFTXOBAN-UHFFFAOYSA-N 0 3 249.329 3.273 20 0 BGADHN COc1ccc([C@H](C)NCCC(F)(F)F)cc1 ZINC000063098644 357525927 /nfs/dbraw/zinc/52/59/27/357525927.db2.gz COJXRUNUUFAYCB-VIFPVBQESA-N 0 3 247.260 3.298 20 0 BGADHN COc1ccc([C@@H](C)NCCC(F)(F)F)cc1 ZINC000063098645 357526119 /nfs/dbraw/zinc/52/61/19/357526119.db2.gz COJXRUNUUFAYCB-SECBINFHSA-N 0 3 247.260 3.298 20 0 BGADHN FC(F)(F)CCN[C@H]1CCc2ccccc21 ZINC000063098646 357525788 /nfs/dbraw/zinc/52/57/88/357525788.db2.gz APILDFHNHQBGRV-NSHDSACASA-N 0 3 229.245 3.216 20 0 BGADHN FC(F)(F)CCN[C@@H]1CCc2ccccc21 ZINC000063098647 357525968 /nfs/dbraw/zinc/52/59/68/357525968.db2.gz APILDFHNHQBGRV-LLVKDONJSA-N 0 3 229.245 3.216 20 0 BGADHN COc1cccc([C@H](C)NCCC(F)(F)F)c1 ZINC000063098654 175293628 /nfs/dbraw/zinc/29/36/28/175293628.db2.gz AKRAPQYEHKVMCV-VIFPVBQESA-N 0 3 247.260 3.298 20 0 BGADHN COc1cccc([C@@H](C)NCCC(F)(F)F)c1 ZINC000063098655 175287114 /nfs/dbraw/zinc/28/71/14/175287114.db2.gz AKRAPQYEHKVMCV-SECBINFHSA-N 0 3 247.260 3.298 20 0 BGADHN C[C@H](NCCC(F)(F)F)c1ccsc1 ZINC000063098699 350571151 /nfs/dbraw/zinc/57/11/51/350571151.db2.gz XUQSIFMFOQDDFL-ZETCQYMHSA-N 0 3 223.263 3.351 20 0 BGADHN C[C@@H](NCCC(F)(F)F)c1ccsc1 ZINC000063098700 350571262 /nfs/dbraw/zinc/57/12/62/350571262.db2.gz XUQSIFMFOQDDFL-SSDOTTSWSA-N 0 3 223.263 3.351 20 0 BGADHN Cc1cccc(CNCCC(F)(F)F)c1 ZINC000063098771 350570977 /nfs/dbraw/zinc/57/09/77/350570977.db2.gz AHFAZVQWPSFAEF-UHFFFAOYSA-N 0 3 217.234 3.037 20 0 BGADHN CCc1ccc(CNCCC(F)(F)F)cc1 ZINC000063098772 385207229 /nfs/dbraw/zinc/20/72/29/385207229.db2.gz QRHYMFHRVYBTOC-UHFFFAOYSA-N 0 3 231.261 3.291 20 0 BGADHN Fc1ccc(CNCCC(F)(F)F)cc1F ZINC000063098775 357526193 /nfs/dbraw/zinc/52/61/93/357526193.db2.gz NIYXSPQZXGKZHK-UHFFFAOYSA-N 0 3 239.187 3.007 20 0 BGADHN Cc1ccsc1CNCCC(F)(F)F ZINC000063099036 350571305 /nfs/dbraw/zinc/57/13/05/350571305.db2.gz BRWCZZKXDWMFLQ-UHFFFAOYSA-N 0 3 223.263 3.099 20 0 BGADHN CCOc1ccccc1CNCCC(F)(F)F ZINC000063099075 357525391 /nfs/dbraw/zinc/52/53/91/357525391.db2.gz HLLFZMDWXBHXAQ-UHFFFAOYSA-N 0 3 247.260 3.127 20 0 BGADHN CCOc1ccc(CNCCC(F)(F)F)cc1 ZINC000063099077 387268599 /nfs/dbraw/zinc/26/85/99/387268599.db2.gz KYFBBJGLAHZHQO-UHFFFAOYSA-N 0 3 247.260 3.127 20 0 BGADHN Cc1ccc(CNCCC(F)(F)F)c(C)c1 ZINC000063099147 323099057 /nfs/dbraw/zinc/09/90/57/323099057.db2.gz DHCRTDSVQUXDOZ-UHFFFAOYSA-N 0 3 231.261 3.345 20 0 BGADHN Cc1ccc(CNCCC(F)(F)F)s1 ZINC000063099229 350570961 /nfs/dbraw/zinc/57/09/61/350570961.db2.gz QGGBEXOHZKOCDG-UHFFFAOYSA-N 0 3 223.263 3.099 20 0 BGADHN FC(F)(F)CCNCc1cc2ccccc2o1 ZINC000063099232 357526169 /nfs/dbraw/zinc/52/61/69/357526169.db2.gz GWNJDDCPKROWIZ-UHFFFAOYSA-N 0 3 243.228 3.475 20 0 BGADHN FC(F)(F)CCNCc1ccc(Cl)s1 ZINC000063099234 350571027 /nfs/dbraw/zinc/57/10/27/350571027.db2.gz YITADGCJRPZSAJ-UHFFFAOYSA-N 0 3 243.681 3.444 20 0 BGADHN CSc1ccc(CNCCC(F)(F)F)cc1 ZINC000063099248 357525448 /nfs/dbraw/zinc/52/54/48/357525448.db2.gz VVANSSNKNUJAMN-UHFFFAOYSA-N 0 3 249.301 3.451 20 0 BGADHN Cc1cc(CNCCC(F)(F)F)cc(C)c1O ZINC000063099296 134505628 /nfs/dbraw/zinc/50/56/28/134505628.db2.gz IKNUEDWDAXSMDC-UHFFFAOYSA-N 0 3 247.260 3.051 20 0 BGADHN Cc1cc([C@@H](C)NCCC(F)(F)F)c(C)o1 ZINC000063099303 357525887 /nfs/dbraw/zinc/52/58/87/357525887.db2.gz LKHRASDXFVDAME-MRVPVSSYSA-N 0 3 235.249 3.499 20 0 BGADHN Cc1cc([C@H](C)NCCC(F)(F)F)c(C)o1 ZINC000063099304 357525729 /nfs/dbraw/zinc/52/57/29/357525729.db2.gz LKHRASDXFVDAME-QMMMGPOBSA-N 0 3 235.249 3.499 20 0 BGADHN COc1ccc(C)cc1CNCCC(F)(F)F ZINC000063099412 134505807 /nfs/dbraw/zinc/50/58/07/134505807.db2.gz ATLKHIVHUGYTKX-UHFFFAOYSA-N 0 3 247.260 3.046 20 0 BGADHN Cc1ccc(CNCCC(F)(F)F)cc1C ZINC000063099561 322943289 /nfs/dbraw/zinc/94/32/89/322943289.db2.gz HDXDLJWJZRHMOJ-UHFFFAOYSA-N 0 3 231.261 3.345 20 0 BGADHN CCOc1cccc(CNCCC(F)(F)F)c1 ZINC000063099639 357525315 /nfs/dbraw/zinc/52/53/15/357525315.db2.gz ZOUAPZCYMJBVNM-UHFFFAOYSA-N 0 3 247.260 3.127 20 0 BGADHN Cc1cc(F)ccc1CNCCC(F)(F)F ZINC000063099643 357525323 /nfs/dbraw/zinc/52/53/23/357525323.db2.gz SUHAHPPIHDHDDQ-UHFFFAOYSA-N 0 3 235.224 3.176 20 0 BGADHN Cc1cc(CNCCC(F)(F)F)ccc1F ZINC000063099644 357525739 /nfs/dbraw/zinc/52/57/39/357525739.db2.gz FXZOEKBJVMPPNM-UHFFFAOYSA-N 0 3 235.224 3.176 20 0 BGADHN CCc1ccc(CNCCC(F)(F)F)s1 ZINC000063099647 323099061 /nfs/dbraw/zinc/09/90/61/323099061.db2.gz MCPCUYRCXNNFIB-UHFFFAOYSA-N 0 3 237.290 3.353 20 0 BGADHN Cc1cccc(CNCCC(F)(F)F)c1C ZINC000063099752 357525463 /nfs/dbraw/zinc/52/54/63/357525463.db2.gz SVELALHWHKJLDD-UHFFFAOYSA-N 0 3 231.261 3.345 20 0 BGADHN Cc1ccc(C)c(CNCCC(F)(F)F)c1 ZINC000063099764 323099067 /nfs/dbraw/zinc/09/90/67/323099067.db2.gz XJUKMKAUEIXVPZ-UHFFFAOYSA-N 0 3 231.261 3.345 20 0 BGADHN Cc1cc(C)cc(CNCCC(F)(F)F)c1 ZINC000063099768 323099034 /nfs/dbraw/zinc/09/90/34/323099034.db2.gz XGGRGBILWZBIIQ-UHFFFAOYSA-N 0 3 231.261 3.345 20 0 BGADHN Cc1cc(CNCCC(F)(F)F)c(C)s1 ZINC000063099782 349505598 /nfs/dbraw/zinc/50/55/98/349505598.db2.gz RXPSXJHLXHOSGR-UHFFFAOYSA-N 0 3 237.290 3.407 20 0 BGADHN FC(F)(F)CCNC/C=C/c1ccccc1 ZINC000063099988 134505489 /nfs/dbraw/zinc/50/54/89/134505489.db2.gz RCJACNOPPHLREI-QPJJXVBHSA-N 0 3 229.245 3.242 20 0 BGADHN C[C@H](NCCc1nccs1)c1ccsc1 ZINC000063133539 385598480 /nfs/dbraw/zinc/59/84/80/385598480.db2.gz JXFWYUWLKDHEMN-VIFPVBQESA-N 0 3 238.381 3.098 20 0 BGADHN C[C@@H](NCCc1nccs1)c1ccsc1 ZINC000063133541 175885588 /nfs/dbraw/zinc/88/55/88/175885588.db2.gz JXFWYUWLKDHEMN-SECBINFHSA-N 0 3 238.381 3.098 20 0 BGADHN C[C@@H]1CCCN(Cc2nc3ccccc3o2)CC1 ZINC000063308881 357621873 /nfs/dbraw/zinc/62/18/73/357621873.db2.gz SDDVORYITQQAQN-GFCCVEGCSA-N 0 3 244.338 3.450 20 0 BGADHN CN(Cc1ccccn1)CC1CCCCC1 ZINC000063492376 383909489 /nfs/dbraw/zinc/90/94/89/383909489.db2.gz JFWIDASHIXEJKM-UHFFFAOYSA-N 0 3 218.344 3.094 20 0 BGADHN CC[C@H]1CN([C@@H]2CCCc3ccccc32)CCO1 ZINC000063493415 357659537 /nfs/dbraw/zinc/65/95/37/357659537.db2.gz COURIDZOTYHQCJ-GOEBONIOSA-N 0 3 245.366 3.175 20 0 BGADHN CC(C)CN1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000063587537 368589816 /nfs/dbraw/zinc/58/98/16/368589816.db2.gz YXMRHUUSOIMLFW-ZFWWWQNUSA-N 0 3 233.355 3.104 20 0 BGADHN CC(C)[C@H]1CCCN1Cc1nc2ccccc2o1 ZINC000063618573 368590948 /nfs/dbraw/zinc/59/09/48/368590948.db2.gz MFPOXEGZYXBAGH-CYBMUJFWSA-N 0 3 244.338 3.448 20 0 BGADHN CCc1nc(CN2CCC[C@H]2C(C)C)cs1 ZINC000063618878 343753429 /nfs/dbraw/zinc/75/34/29/343753429.db2.gz YYWWFYJFTRGQCH-LBPRGKRZSA-N 0 3 238.400 3.326 20 0 BGADHN CCCCN(CCOC)Cc1ccccc1F ZINC000063755105 357715687 /nfs/dbraw/zinc/71/56/87/357715687.db2.gz QHRQYTNTERGCQL-UHFFFAOYSA-N 0 3 239.334 3.074 20 0 BGADHN CN(CCc1cccs1)Cc1ccco1 ZINC000063755509 134396385 /nfs/dbraw/zinc/39/63/85/134396385.db2.gz YFKVSFFNKMKWFI-UHFFFAOYSA-N 0 3 221.325 3.016 20 0 BGADHN CCCN(C)Cc1ccccc1OC(C)C ZINC000063755694 357716763 /nfs/dbraw/zinc/71/67/63/357716763.db2.gz HAMQODNFLONZJU-UHFFFAOYSA-N 0 3 221.344 3.316 20 0 BGADHN CCCN(C)Cc1cc(-c2ccccc2)no1 ZINC000063761529 368595914 /nfs/dbraw/zinc/59/59/14/368595914.db2.gz CJYFGFNEYCBPFH-UHFFFAOYSA-N 0 3 230.311 3.183 20 0 BGADHN CCC/C=C/C(=O)Nc1cccc(CN(C)C)c1 ZINC000063779261 641235778 /nfs/dbraw/zinc/23/57/78/641235778.db2.gz BENBDSABJOHLKA-UXBLZVDNSA-N 0 3 246.354 3.043 20 0 BGADHN CCCCCC[C@@H](C)Nc1cc(C)nc(N)n1 ZINC000064029895 641296759 /nfs/dbraw/zinc/29/67/59/641296759.db2.gz PLTBGTGIXFIDJS-SNVBAGLBSA-N 0 3 236.363 3.138 20 0 BGADHN CCN(Cc1nc(C)c(C)o1)C1CCCCC1 ZINC000064140703 368602471 /nfs/dbraw/zinc/60/24/71/368602471.db2.gz GRAKMJAXIJCUMZ-UHFFFAOYSA-N 0 3 236.359 3.446 20 0 BGADHN Cc1nc(CN(CC(C)C)CC(C)C)oc1C ZINC000064141124 368602537 /nfs/dbraw/zinc/60/25/37/368602537.db2.gz YOPHCTCCDHJCDT-UHFFFAOYSA-N 0 3 238.375 3.405 20 0 BGADHN CN(Cc1cc(Cl)nc(Cl)c1)CC1CC1 ZINC000064142410 641359504 /nfs/dbraw/zinc/35/95/04/641359504.db2.gz UQPRFFDUYVTDRO-UHFFFAOYSA-N 0 3 245.153 3.230 20 0 BGADHN C#CCN([C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000064143112 641359246 /nfs/dbraw/zinc/35/92/46/641359246.db2.gz UAASHJFCAIEJND-NSHDSACASA-N 0 3 233.742 3.499 20 0 BGADHN Cc1nc(CN2CCC[C@H]2C2CCCC2)oc1C ZINC000064247328 357763152 /nfs/dbraw/zinc/76/31/52/357763152.db2.gz NLGZIZIDXBKSIJ-AWEZNQCLSA-N 0 3 248.370 3.446 20 0 BGADHN CCN1CCC[C@H]1Cc1ccccc1Cl ZINC000064249429 368603694 /nfs/dbraw/zinc/60/36/94/368603694.db2.gz ZMWUNYIIWCVRIC-LBPRGKRZSA-N 0 3 223.747 3.367 20 0 BGADHN CCN(CCOC)[C@H](C)c1cc2ccccc2o1 ZINC000064348758 357816241 /nfs/dbraw/zinc/81/62/41/357816241.db2.gz ZNMOMYKQIJXQKK-GFCCVEGCSA-N 0 3 247.338 3.462 20 0 BGADHN CCN1CCC(Oc2cc(C)ccc2C)CC1 ZINC000064486360 324638753 /nfs/dbraw/zinc/63/87/53/324638753.db2.gz QGLQTLGAPXXEKG-UHFFFAOYSA-N 0 3 233.355 3.167 20 0 BGADHN CCCCN1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000064515988 388668197 /nfs/dbraw/zinc/66/81/97/388668197.db2.gz LAWACTPEOAYMQP-ZFWWWQNUSA-N 0 3 233.355 3.249 20 0 BGADHN CN(CCC(F)(F)F)CC1CCCCC1 ZINC000064635090 368610153 /nfs/dbraw/zinc/61/01/53/368610153.db2.gz ZTKXSIJBUZYOON-UHFFFAOYSA-N 0 3 223.282 3.451 20 0 BGADHN CN(CCOc1cccc2ccccc21)C1CC1 ZINC000064951953 388678658 /nfs/dbraw/zinc/67/86/58/388678658.db2.gz VBZGNUKPOQGXIT-UHFFFAOYSA-N 0 3 241.334 3.313 20 0 BGADHN Cc1cc(C)c(CN2C[C@H](C)OC[C@H]2C)c(C)c1 ZINC000064951975 368616206 /nfs/dbraw/zinc/61/62/06/368616206.db2.gz ZAYKCNUFTFFLQC-CABCVRRESA-N 0 3 247.382 3.221 20 0 BGADHN Cc1cc(C)c(CN2CCOCC2(C)C)c(C)c1 ZINC000064953924 349827861 /nfs/dbraw/zinc/82/78/61/349827861.db2.gz CXNMPQDTHUCCLY-UHFFFAOYSA-N 0 3 247.382 3.223 20 0 BGADHN CCCN(C)Cc1csc(Br)c1 ZINC000064994080 350576059 /nfs/dbraw/zinc/57/60/59/350576059.db2.gz OYKXFAOTAYGTBS-UHFFFAOYSA-N 0 3 248.189 3.352 20 0 BGADHN Cc1cc(C)c(CN2CCSCC2)c(C)c1 ZINC000065041036 368618355 /nfs/dbraw/zinc/61/83/55/368618355.db2.gz QISZODCTDISUCF-UHFFFAOYSA-N 0 3 235.396 3.161 20 0 BGADHN Cc1cc(C)c(CN(C)C[C@@H]2CCCO2)c(C)c1 ZINC000065041709 368618049 /nfs/dbraw/zinc/61/80/49/368618049.db2.gz GQSNWLRLTJWATC-HNNXBMFYSA-N 0 3 247.382 3.223 20 0 BGADHN COc1ccc2c(c1)CN(CCC(C)C)CC2 ZINC000065162753 387944880 /nfs/dbraw/zinc/94/48/80/387944880.db2.gz XBJNYDBYRHTEIQ-UHFFFAOYSA-N 0 3 233.355 3.099 20 0 BGADHN FC(F)Oc1cccc(CN2CCCCC2)c1 ZINC000065234101 387957730 /nfs/dbraw/zinc/95/77/30/387957730.db2.gz CTAXGUSXBBPMLV-UHFFFAOYSA-N 0 3 241.281 3.274 20 0 BGADHN CC(C)(NCc1ccncc1)c1ccccc1 ZINC000065275103 360996802 /nfs/dbraw/zinc/99/68/02/360996802.db2.gz LNRJLCUCFHLBHQ-UHFFFAOYSA-N 0 3 226.323 3.107 20 0 BGADHN CC(C)(NCc1cccnc1)c1ccccc1 ZINC000065275110 360996116 /nfs/dbraw/zinc/99/61/16/360996116.db2.gz VJFROTYNXKNECT-UHFFFAOYSA-N 0 3 226.323 3.107 20 0 BGADHN c1ccc(C2(NCc3cccnc3)CCC2)cc1 ZINC000065275660 183389137 /nfs/dbraw/zinc/38/91/37/183389137.db2.gz VPMSXBNWKUGAFB-UHFFFAOYSA-N 0 3 238.334 3.251 20 0 BGADHN c1ccc(C2(NCc3ccncc3)CCC2)cc1 ZINC000065275665 322832073 /nfs/dbraw/zinc/83/20/73/322832073.db2.gz VRYMTJAJCKUUPN-UHFFFAOYSA-N 0 3 238.334 3.251 20 0 BGADHN CCN(Cc1nc(C)c(C)o1)[C@@H](C)C(C)C ZINC000065299012 397977847 /nfs/dbraw/zinc/97/78/47/397977847.db2.gz JOQAWBODIGSFPZ-NSHDSACASA-N 0 3 224.348 3.158 20 0 BGADHN CCN(Cc1c(C)noc1C)[C@H](C)C(C)C ZINC000065299487 384793447 /nfs/dbraw/zinc/79/34/47/384793447.db2.gz FVUBTKVGEIYJQX-LLVKDONJSA-N 0 3 224.348 3.158 20 0 BGADHN CCN(Cc1cn2ccccc2n1)[C@@H](C)C(C)C ZINC000065299570 397977574 /nfs/dbraw/zinc/97/75/74/397977574.db2.gz HXCOQTGUIPZTKE-ZDUSSCGKSA-N 0 3 245.370 3.201 20 0 BGADHN CCN(C/C=C/c1ccccc1)C[C@@H]1CCCO1 ZINC000065352989 388691395 /nfs/dbraw/zinc/69/13/95/388691395.db2.gz TYTNZKXBYITFKG-DHINHOHASA-N 0 3 245.366 3.201 20 0 BGADHN C[C@H]1CN(CCCc2ccccc2)CC(C)(C)O1 ZINC000065424415 368621613 /nfs/dbraw/zinc/62/16/13/368621613.db2.gz OZVSJEYQQQBGET-AWEZNQCLSA-N 0 3 247.382 3.119 20 0 BGADHN Cc1ccc(C)c(CN2C[C@@H](C)OC(C)(C)C2)c1 ZINC000065426607 363940753 /nfs/dbraw/zinc/94/07/53/363940753.db2.gz OEJSVRRRIGXTQT-CQSZACIVSA-N 0 3 247.382 3.303 20 0 BGADHN Cc1cc(C)cc(CN2C[C@@H](C)OC(C)(C)C2)c1 ZINC000065448682 368622439 /nfs/dbraw/zinc/62/24/39/368622439.db2.gz NMZAVQYRXFUHTK-CQSZACIVSA-N 0 3 247.382 3.303 20 0 BGADHN CCCC1CCC(Nc2cc(C)nc(N)n2)CC1 ZINC000065587099 631955449 /nfs/dbraw/zinc/95/54/49/631955449.db2.gz PBJZRGGRASUXBK-UHFFFAOYSA-N 0 3 248.374 3.138 20 0 BGADHN CCN(CCOC(C)(C)C)Cc1ccccc1 ZINC000065949326 388706608 /nfs/dbraw/zinc/70/66/08/388706608.db2.gz QEZQNAHGLNTDKE-UHFFFAOYSA-N 0 3 235.371 3.324 20 0 BGADHN Cc1ccccc1CN(C)CCOC(C)(C)C ZINC000065949423 368636598 /nfs/dbraw/zinc/63/65/98/368636598.db2.gz LPFZXYVSCGBZRD-UHFFFAOYSA-N 0 3 235.371 3.242 20 0 BGADHN Cc1ccc(CN(C)CCOC(C)(C)C)cc1 ZINC000065949483 388707230 /nfs/dbraw/zinc/70/72/30/388707230.db2.gz JNHXIBVGSVKTMS-UHFFFAOYSA-N 0 3 235.371 3.242 20 0 BGADHN CN(CCOC(C)(C)C)Cc1ccc(F)cc1 ZINC000065949538 388706409 /nfs/dbraw/zinc/70/64/09/388706409.db2.gz MCVRBPZYUBTUFP-UHFFFAOYSA-N 0 3 239.334 3.073 20 0 BGADHN C[C@@H](c1ccccc1)N(C)CCOC(C)(C)C ZINC000065949626 388707187 /nfs/dbraw/zinc/70/71/87/388707187.db2.gz CUXPDKBIISWMLK-ZDUSSCGKSA-N 0 3 235.371 3.495 20 0 BGADHN Cc1ccsc1CN(C)CCOC(C)(C)C ZINC000065949627 368635979 /nfs/dbraw/zinc/63/59/79/368635979.db2.gz UBCBJJBRHMOBRJ-UHFFFAOYSA-N 0 3 241.400 3.303 20 0 BGADHN CCN(CCOC(C)(C)C)Cc1cccs1 ZINC000065949679 388707263 /nfs/dbraw/zinc/70/72/63/388707263.db2.gz HEZIVGSPPIKZRE-UHFFFAOYSA-N 0 3 241.400 3.385 20 0 BGADHN CC(C)CN(C)Cc1cc(-c2ccccc2)no1 ZINC000065961953 361083594 /nfs/dbraw/zinc/08/35/94/361083594.db2.gz TVVPZYXMAPLQKB-UHFFFAOYSA-N 0 3 244.338 3.429 20 0 BGADHN CC(C)CN(C)Cc1cccc(F)c1F ZINC000065962029 347216713 /nfs/dbraw/zinc/21/67/13/347216713.db2.gz JXSVZLZLPJPDKA-UHFFFAOYSA-N 0 3 213.271 3.053 20 0 BGADHN c1cncc(CN2CC3C[C@@H]4CC2C[C@H](C3)C4)c1 ZINC000065967513 368637986 /nfs/dbraw/zinc/63/79/86/368637986.db2.gz WGOXZGONUAOTML-PJPHBNEVSA-N 0 3 242.366 3.092 20 0 BGADHN c1nc(CN2CC3C[C@@H]4CC2C[C@H](C3)C4)cs1 ZINC000065968126 364188163 /nfs/dbraw/zinc/18/81/63/364188163.db2.gz AIVUILFKYIAICE-KCXRBIIJSA-N 0 3 248.395 3.154 20 0 BGADHN CCCN(CCC)CC(=O)Nc1cccc(C)c1 ZINC000066216295 169147043 /nfs/dbraw/zinc/14/70/43/169147043.db2.gz QFKSWKBDGUISIC-UHFFFAOYSA-N 0 3 248.370 3.056 20 0 BGADHN CCCN(CCC)CC(=O)Nc1ccc(C)cc1 ZINC000066216313 388711754 /nfs/dbraw/zinc/71/17/54/388711754.db2.gz JJCZDCIXRUHJSG-UHFFFAOYSA-N 0 3 248.370 3.056 20 0 BGADHN CC[C@H]1CCCCN1Cc1cn2ccccc2n1 ZINC000066405473 383860754 /nfs/dbraw/zinc/86/07/54/383860754.db2.gz GRSDTLCVBOLARB-AWEZNQCLSA-N 0 3 243.354 3.099 20 0 BGADHN COc1ccc(F)cc1CN1CCC[C@@H](C)C1 ZINC000066405844 368647347 /nfs/dbraw/zinc/64/73/47/368647347.db2.gz DHOGCVCQQAKDHC-LLVKDONJSA-N 0 3 237.318 3.066 20 0 BGADHN CCCCN(C)Cc1cc(F)ccc1OC ZINC000066406173 368647024 /nfs/dbraw/zinc/64/70/24/368647024.db2.gz LGDDHGAPWYSTBA-UHFFFAOYSA-N 0 3 225.307 3.066 20 0 BGADHN C[C@@H]1C[C@H](C)CN(Cc2nc3ccccc3o2)C1 ZINC000066406423 387083743 /nfs/dbraw/zinc/08/37/43/387083743.db2.gz LXQMKDNJGMDERK-TXEJJXNPSA-N 0 3 244.338 3.306 20 0 BGADHN C[C@@H]1C[C@@H](C)CN(Cc2nc3ccccc3o2)C1 ZINC000066406426 387083628 /nfs/dbraw/zinc/08/36/28/387083628.db2.gz LXQMKDNJGMDERK-VXGBXAGGSA-N 0 3 244.338 3.306 20 0 BGADHN Cc1nc(CN(CC(C)C)C(C)C)oc1C ZINC000066421036 388717308 /nfs/dbraw/zinc/71/73/08/388717308.db2.gz VKZDZOUZQRMJLP-UHFFFAOYSA-N 0 3 224.348 3.158 20 0 BGADHN CN(Cc1csc2ccccc12)C1CC1 ZINC000066421042 388717701 /nfs/dbraw/zinc/71/77/01/388717701.db2.gz ZHXWHKWYEIXTDC-UHFFFAOYSA-N 0 3 217.337 3.496 20 0 BGADHN Cc1nc(CN2CCC[C@@H]2C2CCCC2)oc1C ZINC000066423566 387083780 /nfs/dbraw/zinc/08/37/80/387083780.db2.gz NLGZIZIDXBKSIJ-CQSZACIVSA-N 0 3 248.370 3.446 20 0 BGADHN CCN(CCOC)[C@@H](C)c1cc2ccccc2o1 ZINC000066434172 387084000 /nfs/dbraw/zinc/08/40/00/387084000.db2.gz ZNMOMYKQIJXQKK-LBPRGKRZSA-N 0 3 247.338 3.462 20 0 BGADHN COc1ccccc1CN(C)[C@H]1C=CCCC1 ZINC000066472361 349877215 /nfs/dbraw/zinc/87/72/15/349877215.db2.gz SDKRJORVSQDLPT-AWEZNQCLSA-N 0 3 231.339 3.236 20 0 BGADHN COc1ccccc1CN(C)[C@@H]1C=CCCC1 ZINC000066472363 349876962 /nfs/dbraw/zinc/87/69/62/349876962.db2.gz SDKRJORVSQDLPT-CQSZACIVSA-N 0 3 231.339 3.236 20 0 BGADHN CN(Cc1cccs1)[C@H]1C=CCCC1 ZINC000066472405 368648923 /nfs/dbraw/zinc/64/89/23/368648923.db2.gz GIWLMXYKDRIHGZ-NSHDSACASA-N 0 3 207.342 3.289 20 0 BGADHN CN(Cc1cccs1)[C@@H]1C=CCCC1 ZINC000066472407 368648902 /nfs/dbraw/zinc/64/89/02/368648902.db2.gz GIWLMXYKDRIHGZ-LLVKDONJSA-N 0 3 207.342 3.289 20 0 BGADHN Cc1ccc(CN(C)[C@H]2C=CCCC2)o1 ZINC000066472518 383864501 /nfs/dbraw/zinc/86/45/01/383864501.db2.gz JQYRBGITFIUEGZ-LBPRGKRZSA-N 0 3 205.301 3.129 20 0 BGADHN Cc1ccc(CN(C)[C@@H]2C=CCCC2)o1 ZINC000066472520 383864835 /nfs/dbraw/zinc/86/48/35/383864835.db2.gz JQYRBGITFIUEGZ-GFCCVEGCSA-N 0 3 205.301 3.129 20 0 BGADHN CN(Cc1ccc(F)cc1)[C@H]1C=CCCC1 ZINC000066472729 370583695 /nfs/dbraw/zinc/58/36/95/370583695.db2.gz MYGIZRIZXXYFDM-AWEZNQCLSA-N 0 3 219.303 3.366 20 0 BGADHN CN(Cc1ccc(F)cc1)[C@@H]1C=CCCC1 ZINC000066472732 370583763 /nfs/dbraw/zinc/58/37/63/370583763.db2.gz MYGIZRIZXXYFDM-CQSZACIVSA-N 0 3 219.303 3.366 20 0 BGADHN Cc1cc([C@@H]2CCCN2[C@H]2C=CCCC2)on1 ZINC000066494498 368648117 /nfs/dbraw/zinc/64/81/17/368648117.db2.gz PEJNBQJWOLFXGK-STQMWFEESA-N 0 3 232.327 3.229 20 0 BGADHN Cc1cc([C@H]2CCCN2[C@H]2C=CCCC2)on1 ZINC000066494500 368648036 /nfs/dbraw/zinc/64/80/36/368648036.db2.gz PEJNBQJWOLFXGK-QWHCGFSZSA-N 0 3 232.327 3.229 20 0 BGADHN COc1ccc2c(c1)CN([C@H]1C=CCCC1)CC2 ZINC000066496647 349877042 /nfs/dbraw/zinc/87/70/42/349877042.db2.gz WPALUDDIXKPERZ-HNNXBMFYSA-N 0 3 243.350 3.162 20 0 BGADHN COc1ccc2c(c1)CN([C@@H]1C=CCCC1)CC2 ZINC000066496648 349876945 /nfs/dbraw/zinc/87/69/45/349876945.db2.gz WPALUDDIXKPERZ-OAHLLOKOSA-N 0 3 243.350 3.162 20 0 BGADHN C[C@@H](c1ccco1)N(C)[C@H]1C=CCCC1 ZINC000066496993 176031471 /nfs/dbraw/zinc/03/14/71/176031471.db2.gz SCSBQRLDLYOMFH-RYUDHWBXSA-N 0 3 205.301 3.381 20 0 BGADHN C[C@H](c1ccco1)N(C)[C@H]1C=CCCC1 ZINC000066496994 177047332 /nfs/dbraw/zinc/04/73/32/177047332.db2.gz SCSBQRLDLYOMFH-NEPJUHHUSA-N 0 3 205.301 3.381 20 0 BGADHN CCN(Cc1ccoc1)[C@H]1C=CCCC1 ZINC000066497882 370585062 /nfs/dbraw/zinc/58/50/62/370585062.db2.gz HXCREAQEEVZZAW-ZDUSSCGKSA-N 0 3 205.301 3.210 20 0 BGADHN CCN(Cc1ccoc1)[C@@H]1C=CCCC1 ZINC000066497883 370585378 /nfs/dbraw/zinc/58/53/78/370585378.db2.gz HXCREAQEEVZZAW-CYBMUJFWSA-N 0 3 205.301 3.210 20 0 BGADHN c1ccc(C2(N[C@H]3C=CCCC3)CC2)cc1 ZINC000066500719 363980392 /nfs/dbraw/zinc/98/03/92/363980392.db2.gz XTPWVFXMLZJDEN-AWEZNQCLSA-N 0 3 213.324 3.374 20 0 BGADHN c1ccc(C2(N[C@@H]3C=CCCC3)CC2)cc1 ZINC000066500721 368651362 /nfs/dbraw/zinc/65/13/62/368651362.db2.gz XTPWVFXMLZJDEN-CQSZACIVSA-N 0 3 213.324 3.374 20 0 BGADHN Cc1ncc(CN2[C@H](C)CCC[C@@H]2C)s1 ZINC000066532021 180149002 /nfs/dbraw/zinc/14/90/02/180149002.db2.gz COXFZYDUHROECB-AOOOYVTPSA-N 0 3 224.373 3.214 20 0 BGADHN Cc1ncc(CN2[C@@H](C)CCC[C@@H]2C)s1 ZINC000066532022 387085477 /nfs/dbraw/zinc/08/54/77/387085477.db2.gz COXFZYDUHROECB-UWVGGRQHSA-N 0 3 224.373 3.214 20 0 BGADHN Cc1ncc(CN2[C@H](C)CCC[C@H]2C)s1 ZINC000066532023 387087050 /nfs/dbraw/zinc/08/70/50/387087050.db2.gz COXFZYDUHROECB-NXEZZACHSA-N 0 3 224.373 3.214 20 0 BGADHN CCN(C)[C@@H](c1ccccc1)c1ccccn1 ZINC000066540051 387087233 /nfs/dbraw/zinc/08/72/33/387087233.db2.gz PIRXIBGBBXGGOF-HNNXBMFYSA-N 0 3 226.323 3.123 20 0 BGADHN CCN(C)[C@H](c1ccccc1)c1ccccn1 ZINC000066540053 387086886 /nfs/dbraw/zinc/08/68/86/387086886.db2.gz PIRXIBGBBXGGOF-OAHLLOKOSA-N 0 3 226.323 3.123 20 0 BGADHN COc1ccc(F)cc1CN1CCCC[C@@H]1C ZINC000066560129 361303034 /nfs/dbraw/zinc/30/30/34/361303034.db2.gz CFGCTLYBZAWYPA-NSHDSACASA-N 0 3 237.318 3.209 20 0 BGADHN Cc1ncsc1CN(C)CC1CCCCC1 ZINC000066562792 388720435 /nfs/dbraw/zinc/72/04/35/388720435.db2.gz VBNKHOGMBUAAJE-UHFFFAOYSA-N 0 3 238.400 3.464 20 0 BGADHN Cc1ncsc1CN(C)CCc1ccccc1 ZINC000066564914 180312466 /nfs/dbraw/zinc/31/24/66/180312466.db2.gz QTIKSGYLDQTIOC-UHFFFAOYSA-N 0 3 246.379 3.126 20 0 BGADHN CCc1ccc(CNCc2ccc(O)cc2)s1 ZINC000066593675 384283024 /nfs/dbraw/zinc/28/30/24/384283024.db2.gz NPFDJKKIRAXSEY-UHFFFAOYSA-N 0 3 247.363 3.306 20 0 BGADHN CC(C)CC[C@@H]1CCC[C@@H]1NCc1ncc[nH]1 ZINC000066593752 398266158 /nfs/dbraw/zinc/26/61/58/398266158.db2.gz PSTOEOJLGMIUDX-STQMWFEESA-N 0 3 235.375 3.104 20 0 BGADHN CC(C)CC[C@H]1CCC[C@@H]1NCc1ncc[nH]1 ZINC000066593753 398266166 /nfs/dbraw/zinc/26/61/66/398266166.db2.gz PSTOEOJLGMIUDX-OLZOCXBDSA-N 0 3 235.375 3.104 20 0 BGADHN CC(C)CC[C@@H]1CCC[C@H]1NCc1ncc[nH]1 ZINC000066593754 386699485 /nfs/dbraw/zinc/69/94/85/386699485.db2.gz PSTOEOJLGMIUDX-QWHCGFSZSA-N 0 3 235.375 3.104 20 0 BGADHN CC(C)CC[C@H]1CCC[C@H]1NCc1ncc[nH]1 ZINC000066593755 166915041 /nfs/dbraw/zinc/91/50/41/166915041.db2.gz PSTOEOJLGMIUDX-CHWSQXEVSA-N 0 3 235.375 3.104 20 0 BGADHN CCC[C@H](NCc1ncc[nH]1)C1CCCCC1 ZINC000066593849 387085634 /nfs/dbraw/zinc/08/56/34/387085634.db2.gz GWMUOQAVGTZKNV-ZDUSSCGKSA-N 0 3 235.375 3.248 20 0 BGADHN CCC[C@@H](NCc1ncc[nH]1)C1CCCCC1 ZINC000066593850 387086518 /nfs/dbraw/zinc/08/65/18/387086518.db2.gz GWMUOQAVGTZKNV-CYBMUJFWSA-N 0 3 235.375 3.248 20 0 BGADHN CCCCNCc1csc(-c2ccco2)n1 ZINC000066608830 632958154 /nfs/dbraw/zinc/95/81/54/632958154.db2.gz LKRMMNWGFXAUJR-UHFFFAOYSA-N 0 3 236.340 3.293 20 0 BGADHN c1coc(-c2nc(CNC3CCCC3)cs2)c1 ZINC000066608856 632956491 /nfs/dbraw/zinc/95/64/91/632956491.db2.gz ZWFUHVDNRPDLNO-UHFFFAOYSA-N 0 3 248.351 3.435 20 0 BGADHN CCN(Cc1cccs1)C[C@@H]1CCCCO1 ZINC000066695545 343878727 /nfs/dbraw/zinc/87/87/27/343878727.db2.gz ROLDVWDTYNNTHD-LBPRGKRZSA-N 0 3 239.384 3.139 20 0 BGADHN Cc1ccsc1CN(C)C[C@@H]1CCCCO1 ZINC000066695695 368658528 /nfs/dbraw/zinc/65/85/28/368658528.db2.gz ZBBCDAIMOBCFPC-LBPRGKRZSA-N 0 3 239.384 3.057 20 0 BGADHN C[C@@H](c1ccccc1)N(C)C[C@@H]1CCCCO1 ZINC000066696209 176021140 /nfs/dbraw/zinc/02/11/40/176021140.db2.gz ARGWHBQNJRLJIU-ZFWWWQNUSA-N 0 3 233.355 3.249 20 0 BGADHN CC(C)CN1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000066851743 388723972 /nfs/dbraw/zinc/72/39/72/388723972.db2.gz RTBQMXRTJSVKNQ-HIFRSBDPSA-N 0 3 233.355 3.104 20 0 BGADHN CC(C)CN1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000066851744 388724609 /nfs/dbraw/zinc/72/46/09/388724609.db2.gz RTBQMXRTJSVKNQ-ZFWWWQNUSA-N 0 3 233.355 3.104 20 0 BGADHN CC(C)CN1C[C@H](c2ccccc2)OC[C@H]1C ZINC000066851745 388723963 /nfs/dbraw/zinc/72/39/63/388723963.db2.gz RTBQMXRTJSVKNQ-UKRRQHHQSA-N 0 3 233.355 3.104 20 0 BGADHN CC(C)CN1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000066851746 384389067 /nfs/dbraw/zinc/38/90/67/384389067.db2.gz RTBQMXRTJSVKNQ-DZGCQCFKSA-N 0 3 233.355 3.104 20 0 BGADHN C[C@@H](CN(C)Cc1ccccn1)c1ccccc1 ZINC000066853429 368662950 /nfs/dbraw/zinc/66/29/50/368662950.db2.gz ZWLDWWMXDPULRZ-AWEZNQCLSA-N 0 3 240.350 3.317 20 0 BGADHN C[C@H](CN(C)Cc1ccccn1)c1ccccc1 ZINC000066853430 368664317 /nfs/dbraw/zinc/66/43/17/368664317.db2.gz ZWLDWWMXDPULRZ-CQSZACIVSA-N 0 3 240.350 3.317 20 0 BGADHN C[C@@H](CN(C)Cc1cccnc1)c1ccccc1 ZINC000066853559 383895523 /nfs/dbraw/zinc/89/55/23/383895523.db2.gz QQZJUNMFUBYBDZ-AWEZNQCLSA-N 0 3 240.350 3.317 20 0 BGADHN C[C@H](CN(C)Cc1cccnc1)c1ccccc1 ZINC000066853560 383894915 /nfs/dbraw/zinc/89/49/15/383894915.db2.gz QQZJUNMFUBYBDZ-CQSZACIVSA-N 0 3 240.350 3.317 20 0 BGADHN Cc1cc(CN(C)C[C@@H](C)c2ccccc2)on1 ZINC000066854015 368664870 /nfs/dbraw/zinc/66/48/70/368664870.db2.gz GFJUJIKYDBEXEQ-GFCCVEGCSA-N 0 3 244.338 3.219 20 0 BGADHN Cc1cc(CN(C)C[C@H](C)c2ccccc2)on1 ZINC000066854016 368663337 /nfs/dbraw/zinc/66/33/37/368663337.db2.gz GFJUJIKYDBEXEQ-LBPRGKRZSA-N 0 3 244.338 3.219 20 0 BGADHN c1cn2cc(CNC3CCCCCC3)nc2s1 ZINC000066875588 383898567 /nfs/dbraw/zinc/89/85/67/383898567.db2.gz XBWLIKAWMQSXLT-UHFFFAOYSA-N 0 3 249.383 3.208 20 0 BGADHN CCCN1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000066899262 368666102 /nfs/dbraw/zinc/66/61/02/368666102.db2.gz VXXATQNOQDHTRZ-CYBMUJFWSA-N 0 3 247.338 3.005 20 0 BGADHN CCCN1CCC[C@H]1c1cccc2c1OCCO2 ZINC000066899264 368666404 /nfs/dbraw/zinc/66/64/04/368666404.db2.gz VXXATQNOQDHTRZ-ZDUSSCGKSA-N 0 3 247.338 3.005 20 0 BGADHN CC(C)CCCNCc1nc2ccccc2n1C ZINC000066971186 383902343 /nfs/dbraw/zinc/90/23/43/383902343.db2.gz XTYAZNXTAPSDND-UHFFFAOYSA-N 0 3 245.370 3.099 20 0 BGADHN CC[C@H](NCc1nc2ccccc2n1C)C(C)C ZINC000066989895 383904183 /nfs/dbraw/zinc/90/41/83/383904183.db2.gz LLYBNLBULPNYQS-LBPRGKRZSA-N 0 3 245.370 3.098 20 0 BGADHN CC[C@@H](NCc1nc2ccccc2n1C)C(C)C ZINC000066989896 343885738 /nfs/dbraw/zinc/88/57/38/343885738.db2.gz LLYBNLBULPNYQS-GFCCVEGCSA-N 0 3 245.370 3.098 20 0 BGADHN Cc1cccc(OC[C@@H](C)NCc2ccco2)c1 ZINC000067217419 179170491 /nfs/dbraw/zinc/17/04/91/179170491.db2.gz MRDOKFCTJBDYIH-CYBMUJFWSA-N 0 3 245.322 3.145 20 0 BGADHN Cc1cccc(OC[C@H](C)NCc2ccco2)c1 ZINC000067217421 179171081 /nfs/dbraw/zinc/17/10/81/179171081.db2.gz MRDOKFCTJBDYIH-ZDUSSCGKSA-N 0 3 245.322 3.145 20 0 BGADHN C[C@H](Cc1ccccc1F)NCc1ccco1 ZINC000067217565 176725515 /nfs/dbraw/zinc/72/55/15/176725515.db2.gz SJIZBSPKAFHSDX-LLVKDONJSA-N 0 3 233.286 3.140 20 0 BGADHN Cc1occc1CNCc1cccc(C)c1C ZINC000067218176 370645400 /nfs/dbraw/zinc/64/54/00/370645400.db2.gz GZBKDRISROLGGA-UHFFFAOYSA-N 0 3 229.323 3.495 20 0 BGADHN Cc1occc1CNCc1ccc(C)cc1C ZINC000067218217 361989588 /nfs/dbraw/zinc/98/95/88/361989588.db2.gz KOJGWAHCVQSPSM-UHFFFAOYSA-N 0 3 229.323 3.495 20 0 BGADHN COc1c(C)cnc(CN2CCCCCC2)c1C ZINC000067226799 388730714 /nfs/dbraw/zinc/73/07/14/388730714.db2.gz XMZNVHGAXRCDOT-UHFFFAOYSA-N 0 3 248.370 3.083 20 0 BGADHN COc1c(C)cnc(CN(C(C)C)C2CC2)c1C ZINC000067227317 383915560 /nfs/dbraw/zinc/91/55/60/383915560.db2.gz GQJCEYULTDHWFM-UHFFFAOYSA-N 0 3 248.370 3.080 20 0 BGADHN CCCCN1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000067228679 388730838 /nfs/dbraw/zinc/73/08/38/388730838.db2.gz DHNKUJZMBRNJFW-DZGCQCFKSA-N 0 3 233.355 3.249 20 0 BGADHN CCCCN1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000067228680 388730773 /nfs/dbraw/zinc/73/07/73/388730773.db2.gz DHNKUJZMBRNJFW-ZFWWWQNUSA-N 0 3 233.355 3.249 20 0 BGADHN CC(C)N(Cc1ccccc1F)C1CC1 ZINC000067445694 134397963 /nfs/dbraw/zinc/39/79/63/134397963.db2.gz SBNIWQUZAUBONX-UHFFFAOYSA-N 0 3 207.292 3.199 20 0 BGADHN CCOCCN(Cc1ccc(C)s1)C(C)C ZINC000067461461 368690135 /nfs/dbraw/zinc/69/01/35/368690135.db2.gz KRSVOZHQJNCKFE-UHFFFAOYSA-N 0 3 241.400 3.303 20 0 BGADHN CCCCN(Cc1ccco1)C[C@@H]1CCCO1 ZINC000067462486 370671949 /nfs/dbraw/zinc/67/19/49/370671949.db2.gz BUZLEQGKCXVIME-AWEZNQCLSA-N 0 3 237.343 3.061 20 0 BGADHN CCCCN(Cc1ccco1)C[C@H]1CCCO1 ZINC000067462488 370671723 /nfs/dbraw/zinc/67/17/23/370671723.db2.gz BUZLEQGKCXVIME-CQSZACIVSA-N 0 3 237.343 3.061 20 0 BGADHN CCN(Cc1nc(C)c(C)o1)[C@H](C)C(C)C ZINC000067661137 383932765 /nfs/dbraw/zinc/93/27/65/383932765.db2.gz JOQAWBODIGSFPZ-LLVKDONJSA-N 0 3 224.348 3.158 20 0 BGADHN CCN(Cc1c(C)noc1C)[C@@H](C)C(C)C ZINC000067661265 388738066 /nfs/dbraw/zinc/73/80/66/388738066.db2.gz FVUBTKVGEIYJQX-NSHDSACASA-N 0 3 224.348 3.158 20 0 BGADHN CCN(Cc1cn2ccccc2n1)[C@H](C)C(C)C ZINC000067661286 385159993 /nfs/dbraw/zinc/15/99/93/385159993.db2.gz HXCOQTGUIPZTKE-CYBMUJFWSA-N 0 3 245.370 3.201 20 0 BGADHN CCCCC1CCC(NCc2ncc[nH]2)CC1 ZINC000067694348 636766726 /nfs/dbraw/zinc/76/67/26/636766726.db2.gz VECDQNWCBXJKSA-UHFFFAOYSA-N 0 3 235.375 3.248 20 0 BGADHN CN(CCOC(C)(C)C)[C@@H]1CCc2ccccc21 ZINC000067716148 368697453 /nfs/dbraw/zinc/69/74/53/368697453.db2.gz QDJXVOKOEFORSL-OAHLLOKOSA-N 0 3 247.382 3.421 20 0 BGADHN CN(CCOC(C)(C)C)[C@H]1CCc2ccccc21 ZINC000067716149 368697753 /nfs/dbraw/zinc/69/77/53/368697753.db2.gz QDJXVOKOEFORSL-HNNXBMFYSA-N 0 3 247.382 3.421 20 0 BGADHN CC(C)(C)OCCN(Cc1ccccc1)C1CC1 ZINC000067716159 388739166 /nfs/dbraw/zinc/73/91/66/388739166.db2.gz RXZQYIRLNOZBGQ-UHFFFAOYSA-N 0 3 247.382 3.466 20 0 BGADHN CC[C@@H]1CN([C@@H]2CCCc3ccccc32)CCO1 ZINC000067963027 387098450 /nfs/dbraw/zinc/09/84/50/387098450.db2.gz COURIDZOTYHQCJ-GDBMZVCRSA-N 0 3 245.366 3.175 20 0 BGADHN CCCCN1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000068300912 388709962 /nfs/dbraw/zinc/70/99/62/388709962.db2.gz LAWACTPEOAYMQP-HIFRSBDPSA-N 0 3 233.355 3.249 20 0 BGADHN C[C@H](c1ccccc1)N(C)CCOC(C)(C)C ZINC000068322255 388773811 /nfs/dbraw/zinc/77/38/11/388773811.db2.gz CUXPDKBIISWMLK-CYBMUJFWSA-N 0 3 235.371 3.495 20 0 BGADHN CC(C)CN(C)Cn1ccc(-c2ccsc2)n1 ZINC000068616752 642788271 /nfs/dbraw/zinc/78/82/71/642788271.db2.gz MPEDKGSAAOIPFA-UHFFFAOYSA-N 0 3 249.383 3.157 20 0 BGADHN C[C@H]1CCCN(Cc2nc3ccccc3o2)CC1 ZINC000068837827 387106666 /nfs/dbraw/zinc/10/66/66/387106666.db2.gz SDDVORYITQQAQN-LBPRGKRZSA-N 0 3 244.338 3.450 20 0 BGADHN CCCC[C@@H](CC)NCc1nccs1 ZINC000068986963 343254406 /nfs/dbraw/zinc/25/44/06/343254406.db2.gz WUAYELBHKATJTK-SNVBAGLBSA-N 0 3 212.362 3.202 20 0 BGADHN CCCC[C@H](CC)NCc1nccs1 ZINC000068986966 169000276 /nfs/dbraw/zinc/00/02/76/169000276.db2.gz WUAYELBHKATJTK-JTQLQIEISA-N 0 3 212.362 3.202 20 0 BGADHN CCCC[C@@H](CC)NCc1cc(C)no1 ZINC000068987367 343254258 /nfs/dbraw/zinc/25/42/58/343254258.db2.gz IMJUAACBRUREIH-LLVKDONJSA-N 0 3 210.321 3.041 20 0 BGADHN CCCC[C@H](CC)NCc1cc(C)no1 ZINC000068987370 168999994 /nfs/dbraw/zinc/99/99/94/168999994.db2.gz IMJUAACBRUREIH-NSHDSACASA-N 0 3 210.321 3.041 20 0 BGADHN CCCC[C@@H](CC)NCc1cscn1 ZINC000068987908 385234740 /nfs/dbraw/zinc/23/47/40/385234740.db2.gz LOAOZEAARFFRHR-SNVBAGLBSA-N 0 3 212.362 3.202 20 0 BGADHN CCCC[C@H](CC)NCc1cscn1 ZINC000068987909 385233681 /nfs/dbraw/zinc/23/36/81/385233681.db2.gz LOAOZEAARFFRHR-JTQLQIEISA-N 0 3 212.362 3.202 20 0 BGADHN CSCCN[C@@H](C)c1ccc(Cl)s1 ZINC000068993778 385238578 /nfs/dbraw/zinc/23/85/78/385238578.db2.gz QSTZAJWGONAELC-ZETCQYMHSA-N 0 3 235.805 3.415 20 0 BGADHN CSCCN[C@H](C)c1ccc(Cl)s1 ZINC000068993780 134399518 /nfs/dbraw/zinc/39/95/18/134399518.db2.gz QSTZAJWGONAELC-SSDOTTSWSA-N 0 3 235.805 3.415 20 0 BGADHN CSCCN[C@@H](C)c1ccc(F)cc1Cl ZINC000068993828 385237682 /nfs/dbraw/zinc/23/76/82/385237682.db2.gz AKIAFVOJLKDOMX-QMMMGPOBSA-N 0 3 247.766 3.493 20 0 BGADHN CSCCN[C@H](C)c1ccc(F)cc1Cl ZINC000068993834 385238157 /nfs/dbraw/zinc/23/81/57/385238157.db2.gz AKIAFVOJLKDOMX-MRVPVSSYSA-N 0 3 247.766 3.493 20 0 BGADHN CCOc1ccccc1[C@@H](C)NCCSC ZINC000068993973 398099414 /nfs/dbraw/zinc/09/94/14/398099414.db2.gz KTVKLBIKCQYUCY-LLVKDONJSA-N 0 3 239.384 3.099 20 0 BGADHN CCOc1ccccc1[C@H](C)NCCSC ZINC000068993976 398099229 /nfs/dbraw/zinc/09/92/29/398099229.db2.gz KTVKLBIKCQYUCY-NSHDSACASA-N 0 3 239.384 3.099 20 0 BGADHN CSCCN[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000068994045 350319465 /nfs/dbraw/zinc/31/94/65/350319465.db2.gz IOSBUJNRJQABKP-QMMMGPOBSA-N 0 3 247.766 3.493 20 0 BGADHN CSCCN[C@H](C)c1ccc(F)c(Cl)c1 ZINC000068994048 343255362 /nfs/dbraw/zinc/25/53/62/343255362.db2.gz IOSBUJNRJQABKP-MRVPVSSYSA-N 0 3 247.766 3.493 20 0 BGADHN COc1cc(C)ccc1[C@@H](C)NCCSC ZINC000068995077 344530226 /nfs/dbraw/zinc/53/02/26/344530226.db2.gz PJKKDUOSXXWRAL-LLVKDONJSA-N 0 3 239.384 3.017 20 0 BGADHN COc1cc(C)ccc1[C@H](C)NCCSC ZINC000068995082 344530345 /nfs/dbraw/zinc/53/03/45/344530345.db2.gz PJKKDUOSXXWRAL-NSHDSACASA-N 0 3 239.384 3.017 20 0 BGADHN CSCCCN[C@H](C)c1nc(C)sc1C ZINC000068997703 370871868 /nfs/dbraw/zinc/87/18/68/370871868.db2.gz AWXGRYOFBXNPQN-MRVPVSSYSA-N 0 3 244.429 3.164 20 0 BGADHN CSCCCN[C@@H](C)c1nc(C)sc1C ZINC000068997706 370872072 /nfs/dbraw/zinc/87/20/72/370872072.db2.gz AWXGRYOFBXNPQN-QMMMGPOBSA-N 0 3 244.429 3.164 20 0 BGADHN CSCCCNCc1c(F)cccc1Cl ZINC000068998326 385240802 /nfs/dbraw/zinc/24/08/02/385240802.db2.gz NOHYSAODZJQRLQ-UHFFFAOYSA-N 0 3 247.766 3.322 20 0 BGADHN CSCCCNCc1ccc(F)cc1Cl ZINC000069010898 385243405 /nfs/dbraw/zinc/24/34/05/385243405.db2.gz WHKWECCQYMPLCH-UHFFFAOYSA-N 0 3 247.766 3.322 20 0 BGADHN CSCCNc1ccnc2ccccc21 ZINC000069012471 370873257 /nfs/dbraw/zinc/87/32/57/370873257.db2.gz SCQBZNBJUVNXHX-UHFFFAOYSA-N 0 3 218.325 3.010 20 0 BGADHN CSCCCNc1ccnc2ccccc21 ZINC000069012764 387110635 /nfs/dbraw/zinc/11/06/35/387110635.db2.gz WYKZBUKSDGKAJI-UHFFFAOYSA-N 0 3 232.352 3.400 20 0 BGADHN C[C@H]1CCC[C@H](C)C1NCc1cscn1 ZINC000069064103 177130462 /nfs/dbraw/zinc/13/04/62/177130462.db2.gz QOVODQZZQSDPSI-UWVGGRQHSA-N 0 3 224.373 3.057 20 0 BGADHN C[C@@H]1CCC[C@@H](C)C1NCc1cscn1 ZINC000069064104 176113622 /nfs/dbraw/zinc/11/36/22/176113622.db2.gz QOVODQZZQSDPSI-NXEZZACHSA-N 0 3 224.373 3.057 20 0 BGADHN C[C@@H](c1ccco1)N(C)C[C@H](O)c1ccccc1 ZINC000069067746 368744609 /nfs/dbraw/zinc/74/46/09/368744609.db2.gz GWZHQNZQRRQSOZ-JSGCOSHPSA-N 0 3 245.322 3.006 20 0 BGADHN C[C@H](c1ccco1)N(C)C[C@H](O)c1ccccc1 ZINC000069067749 368744792 /nfs/dbraw/zinc/74/47/92/368744792.db2.gz GWZHQNZQRRQSOZ-OCCSQVGLSA-N 0 3 245.322 3.006 20 0 BGADHN C[C@@H](c1ccco1)N(C)CCOc1ccccc1 ZINC000069069933 387111684 /nfs/dbraw/zinc/11/16/84/387111684.db2.gz NRMXYLCSXPZEQN-ZDUSSCGKSA-N 0 3 245.322 3.351 20 0 BGADHN C[C@H](c1ccco1)N(C)CCOc1ccccc1 ZINC000069069936 387112219 /nfs/dbraw/zinc/11/22/19/387112219.db2.gz NRMXYLCSXPZEQN-CYBMUJFWSA-N 0 3 245.322 3.351 20 0 BGADHN CCCCN(CCOC)Cc1ccc(F)cc1 ZINC000069072418 387113610 /nfs/dbraw/zinc/11/36/10/387113610.db2.gz FBZOGMMZKQBLCG-UHFFFAOYSA-N 0 3 239.334 3.074 20 0 BGADHN CCCCN(CCOC)Cc1cccc(F)c1 ZINC000069072424 134898520 /nfs/dbraw/zinc/89/85/20/134898520.db2.gz QEIBJYGXWPFRJS-UHFFFAOYSA-N 0 3 239.334 3.074 20 0 BGADHN CCCN(C)Cc1cc(-c2ccc(C)cc2)no1 ZINC000069090953 388824366 /nfs/dbraw/zinc/82/43/66/388824366.db2.gz ZIPJNRXQCTZYDV-UHFFFAOYSA-N 0 3 244.338 3.492 20 0 BGADHN COc1cc(CN2CCCC2)ccc1SC ZINC000069159484 388825238 /nfs/dbraw/zinc/82/52/38/388825238.db2.gz DWEBQWXTLFXCRL-UHFFFAOYSA-N 0 3 237.368 3.013 20 0 BGADHN CCC(O)(CC)CNCc1ccc(Cl)s1 ZINC000069160682 385269052 /nfs/dbraw/zinc/26/90/52/385269052.db2.gz YBHKMLAPSVMAHQ-UHFFFAOYSA-N 0 3 247.791 3.042 20 0 BGADHN CCC(O)(CC)CNCc1cc2ccccc2o1 ZINC000069160684 384033101 /nfs/dbraw/zinc/03/31/01/384033101.db2.gz QBZPERZDUOLOTD-UHFFFAOYSA-N 0 3 247.338 3.074 20 0 BGADHN Cc1nc(CN2CCC[C@H]3CCCC[C@@H]32)oc1C ZINC000069172758 373117507 /nfs/dbraw/zinc/11/75/07/373117507.db2.gz OQTFIWLTKDXWNB-KGLIPLIRSA-N 0 3 248.370 3.446 20 0 BGADHN Cc1nc(CN2CCC[C@@H]3CCCC[C@@H]32)oc1C ZINC000069172760 373117613 /nfs/dbraw/zinc/11/76/13/373117613.db2.gz OQTFIWLTKDXWNB-KBPBESRZSA-N 0 3 248.370 3.446 20 0 BGADHN CC(C)CC[C@@H]1CCC[C@@H]1NCc1cc[nH]n1 ZINC000069174996 387114807 /nfs/dbraw/zinc/11/48/07/387114807.db2.gz KQOCWSCIGWHFGC-JSGCOSHPSA-N 0 3 235.375 3.104 20 0 BGADHN CC(C)CC[C@H]1CCC[C@@H]1NCc1cc[nH]n1 ZINC000069174997 387116319 /nfs/dbraw/zinc/11/63/19/387116319.db2.gz KQOCWSCIGWHFGC-OCCSQVGLSA-N 0 3 235.375 3.104 20 0 BGADHN CC(C)CC[C@@H]1CCC[C@H]1NCc1cc[nH]n1 ZINC000069175000 350345396 /nfs/dbraw/zinc/34/53/96/350345396.db2.gz KQOCWSCIGWHFGC-GXTWGEPZSA-N 0 3 235.375 3.104 20 0 BGADHN CC(C)CC[C@H]1CCC[C@H]1NCc1cc[nH]n1 ZINC000069175002 350345567 /nfs/dbraw/zinc/34/55/67/350345567.db2.gz KQOCWSCIGWHFGC-TZMCWYRMSA-N 0 3 235.375 3.104 20 0 BGADHN Fc1ccc(-c2ccoc2)cc1CNC1CC1 ZINC000069319691 642853700 /nfs/dbraw/zinc/85/37/00/642853700.db2.gz AJXZIDFFPYOABT-UHFFFAOYSA-N 0 3 231.270 3.338 20 0 BGADHN CCCC[C@@H](CC)NCc1cccnc1OC ZINC000069376807 134900213 /nfs/dbraw/zinc/90/02/13/134900213.db2.gz NVZUEQTYEPRSLB-CYBMUJFWSA-N 0 3 236.359 3.149 20 0 BGADHN CCCC[C@H](CC)NCc1cccnc1OC ZINC000069376811 359029941 /nfs/dbraw/zinc/02/99/41/359029941.db2.gz NVZUEQTYEPRSLB-ZDUSSCGKSA-N 0 3 236.359 3.149 20 0 BGADHN Cc1ccsc1[C@@H](C)NCc1cccnc1 ZINC000069636073 384054783 /nfs/dbraw/zinc/05/47/83/384054783.db2.gz NLHCQULBWYPUEZ-LLVKDONJSA-N 0 3 232.352 3.302 20 0 BGADHN Cc1ccsc1[C@H](C)NCc1cccnc1 ZINC000069636075 384053631 /nfs/dbraw/zinc/05/36/31/384053631.db2.gz NLHCQULBWYPUEZ-NSHDSACASA-N 0 3 232.352 3.302 20 0 BGADHN CC[C@@H](C)NCc1cnc(-c2ccccc2)nc1 ZINC000069645204 370966733 /nfs/dbraw/zinc/96/67/33/370966733.db2.gz CAXVUYNLTKMVJI-GFCCVEGCSA-N 0 3 241.338 3.032 20 0 BGADHN CC[C@H](C)NCc1cnc(-c2ccccc2)nc1 ZINC000069645206 370967201 /nfs/dbraw/zinc/96/72/01/370967201.db2.gz CAXVUYNLTKMVJI-LBPRGKRZSA-N 0 3 241.338 3.032 20 0 BGADHN Cc1nc([C@@H](C)N[C@@H](C)CC2CC2)cs1 ZINC000069662090 343288201 /nfs/dbraw/zinc/28/82/01/343288201.db2.gz WXRQMMZQEZAWAE-DTWKUNHWSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1nc([C@H](C)N[C@@H](C)CC2CC2)cs1 ZINC000069662094 343288170 /nfs/dbraw/zinc/28/81/70/343288170.db2.gz WXRQMMZQEZAWAE-IUCAKERBSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1nc([C@@H](C)N[C@H](C)CC2CC2)cs1 ZINC000069662101 343288013 /nfs/dbraw/zinc/28/80/13/343288013.db2.gz WXRQMMZQEZAWAE-RKDXNWHRSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1nc([C@H](C)N[C@H](C)CC2CC2)cs1 ZINC000069662106 343287986 /nfs/dbraw/zinc/28/79/86/343287986.db2.gz WXRQMMZQEZAWAE-BDAKNGLRSA-N 0 3 224.373 3.291 20 0 BGADHN C[C@@H](CC1CC1)NCc1cc(F)ccc1F ZINC000069662416 359031822 /nfs/dbraw/zinc/03/18/22/359031822.db2.gz NQHDIBOTPWCEBT-VIFPVBQESA-N 0 3 225.282 3.243 20 0 BGADHN C[C@H](CC1CC1)NCc1cc(F)ccc1F ZINC000069662421 359031672 /nfs/dbraw/zinc/03/16/72/359031672.db2.gz NQHDIBOTPWCEBT-SECBINFHSA-N 0 3 225.282 3.243 20 0 BGADHN Cc1ccc([C@@H](C)N[C@@H](C)CC2CC2)o1 ZINC000069663131 383837244 /nfs/dbraw/zinc/83/72/44/383837244.db2.gz ZXNMPICWKRJQDZ-GXSJLCMTSA-N 0 3 207.317 3.427 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H](C)CC2CC2)o1 ZINC000069663135 178895159 /nfs/dbraw/zinc/89/51/59/178895159.db2.gz ZXNMPICWKRJQDZ-ONGXEEELSA-N 0 3 207.317 3.427 20 0 BGADHN Cc1ccc([C@@H](C)N[C@H](C)CC2CC2)o1 ZINC000069663137 383837024 /nfs/dbraw/zinc/83/70/24/383837024.db2.gz ZXNMPICWKRJQDZ-MWLCHTKSSA-N 0 3 207.317 3.427 20 0 BGADHN Cc1ccc([C@H](C)N[C@H](C)CC2CC2)o1 ZINC000069663140 178898389 /nfs/dbraw/zinc/89/83/89/178898389.db2.gz ZXNMPICWKRJQDZ-KOLCDFICSA-N 0 3 207.317 3.427 20 0 BGADHN C[C@@H](CC1CC1)NCc1ccc(F)cc1F ZINC000069663610 359031832 /nfs/dbraw/zinc/03/18/32/359031832.db2.gz GYPXQIUNKVMVHJ-VIFPVBQESA-N 0 3 225.282 3.243 20 0 BGADHN C[C@H](CC1CC1)NCc1ccc(F)cc1F ZINC000069663613 359031869 /nfs/dbraw/zinc/03/18/69/359031869.db2.gz GYPXQIUNKVMVHJ-SECBINFHSA-N 0 3 225.282 3.243 20 0 BGADHN C[C@@H](CC1CC1)NCc1ccc(Cl)o1 ZINC000069663759 343288194 /nfs/dbraw/zinc/28/81/94/343288194.db2.gz AWTKERBHYQYSJU-QMMMGPOBSA-N 0 3 213.708 3.211 20 0 BGADHN C[C@H](CC1CC1)NCc1ccc(Cl)o1 ZINC000069663762 343288236 /nfs/dbraw/zinc/28/82/36/343288236.db2.gz AWTKERBHYQYSJU-MRVPVSSYSA-N 0 3 213.708 3.211 20 0 BGADHN CCc1ccc(CN[C@@H](C)CC2CC2)o1 ZINC000069663786 343288264 /nfs/dbraw/zinc/28/82/64/343288264.db2.gz QASOYPOWBMDOLQ-JTQLQIEISA-N 0 3 207.317 3.120 20 0 BGADHN CCc1ccc(CN[C@H](C)CC2CC2)o1 ZINC000069663789 343287977 /nfs/dbraw/zinc/28/79/77/343287977.db2.gz QASOYPOWBMDOLQ-SNVBAGLBSA-N 0 3 207.317 3.120 20 0 BGADHN C[C@@H](CC1CC1)NCc1ccccc1F ZINC000069664315 383837209 /nfs/dbraw/zinc/83/72/09/383837209.db2.gz IJHCJLVCVSYKHB-JTQLQIEISA-N 0 3 207.292 3.104 20 0 BGADHN C[C@H](CC1CC1)NCc1ccccc1F ZINC000069664318 383838977 /nfs/dbraw/zinc/83/89/77/383838977.db2.gz IJHCJLVCVSYKHB-SNVBAGLBSA-N 0 3 207.292 3.104 20 0 BGADHN CC(C)Oc1ccc(CN2CCCC2)cc1 ZINC000069671126 167292747 /nfs/dbraw/zinc/29/27/47/167292747.db2.gz PRTASMZTNZGWAQ-UHFFFAOYSA-N 0 3 219.328 3.070 20 0 BGADHN c1coc(CNCC2(c3ccccc3)CCC2)c1 ZINC000069675108 183388157 /nfs/dbraw/zinc/38/81/57/183388157.db2.gz YRFBYBXFOWPRTF-UHFFFAOYSA-N 0 3 241.334 3.491 20 0 BGADHN Fc1ccc(C2(CNCc3ccco3)CC2)cc1 ZINC000069709383 384056485 /nfs/dbraw/zinc/05/64/85/384056485.db2.gz SHILUNMKAGJSLP-UHFFFAOYSA-N 0 3 245.297 3.240 20 0 BGADHN Cc1ccc(CNCc2ccc(O)cc2)c(C)c1 ZINC000069749554 384061655 /nfs/dbraw/zinc/06/16/55/384061655.db2.gz FIIOVKMIHJXHCI-UHFFFAOYSA-N 0 3 241.334 3.299 20 0 BGADHN CCNCc1cc(Cl)sc1Cl ZINC000069803494 519993072 /nfs/dbraw/zinc/99/30/72/519993072.db2.gz TZTZOQQUDCLBGV-UHFFFAOYSA-N 0 3 210.129 3.164 20 0 BGADHN CCc1nc(CN[C@@H](C)C2CCCC2)cs1 ZINC000069804748 350403571 /nfs/dbraw/zinc/40/35/71/350403571.db2.gz BKCRPJBTUBZKEA-JTQLQIEISA-N 0 3 238.400 3.374 20 0 BGADHN CCc1nc(CN[C@H](C)C2CCCC2)cs1 ZINC000069804751 350403123 /nfs/dbraw/zinc/40/31/23/350403123.db2.gz BKCRPJBTUBZKEA-SNVBAGLBSA-N 0 3 238.400 3.374 20 0 BGADHN Cc1cc(C)c(CNCc2ccoc2)c(C)c1 ZINC000069832995 388868445 /nfs/dbraw/zinc/86/84/45/388868445.db2.gz LESOCIJRQXOEDQ-UHFFFAOYSA-N 0 3 229.323 3.495 20 0 BGADHN COc1ccc(CN2CCCC[C@@H]2C)cc1F ZINC000069874987 175098920 /nfs/dbraw/zinc/09/89/20/175098920.db2.gz JTTOPHZXMZKKSG-NSHDSACASA-N 0 3 237.318 3.209 20 0 BGADHN C[C@@H]1CCCCCN1Cc1cccnc1Cl ZINC000069944804 642940884 /nfs/dbraw/zinc/94/08/84/642940884.db2.gz BRGITBOWIVPVAX-LLVKDONJSA-N 0 3 238.762 3.500 20 0 BGADHN C[C@H]1CCCCCN1Cc1cccnc1Cl ZINC000069944805 642942341 /nfs/dbraw/zinc/94/23/41/642942341.db2.gz BRGITBOWIVPVAX-NSHDSACASA-N 0 3 238.762 3.500 20 0 BGADHN C[C@@H]1CCCCCN1Cc1ccnc(Cl)c1 ZINC000069944806 643451433 /nfs/dbraw/zinc/45/14/33/643451433.db2.gz BQZYUHCWDUBETP-LLVKDONJSA-N 0 3 238.762 3.500 20 0 BGADHN C[C@H]1CCCCCN1Cc1ccnc(Cl)c1 ZINC000069944808 642942263 /nfs/dbraw/zinc/94/22/63/642942263.db2.gz BQZYUHCWDUBETP-NSHDSACASA-N 0 3 238.762 3.500 20 0 BGADHN C[C@@H]1CCCCCN1Cc1ccc(Cl)nc1 ZINC000069944809 642941117 /nfs/dbraw/zinc/94/11/17/642941117.db2.gz FQVCFEZXXCXIQC-LLVKDONJSA-N 0 3 238.762 3.500 20 0 BGADHN C[C@H]1CCCCCN1Cc1ccc(Cl)nc1 ZINC000069944810 642941261 /nfs/dbraw/zinc/94/12/61/642941261.db2.gz FQVCFEZXXCXIQC-NSHDSACASA-N 0 3 238.762 3.500 20 0 BGADHN CCCCC[C@@H](C)N[C@@H](C)c1nccn1C ZINC000070007696 642953257 /nfs/dbraw/zinc/95/32/57/642953257.db2.gz NATSHLRAIILBPN-NEPJUHHUSA-N 0 3 223.364 3.040 20 0 BGADHN CCCCC[C@H](C)N[C@@H](C)c1nccn1C ZINC000070007697 642951541 /nfs/dbraw/zinc/95/15/41/642951541.db2.gz NATSHLRAIILBPN-RYUDHWBXSA-N 0 3 223.364 3.040 20 0 BGADHN CCCCC[C@@H](C)N[C@H](C)c1nccn1C ZINC000070007701 642953706 /nfs/dbraw/zinc/95/37/06/642953706.db2.gz NATSHLRAIILBPN-VXGBXAGGSA-N 0 3 223.364 3.040 20 0 BGADHN CCCCC[C@H](C)N[C@H](C)c1nccn1C ZINC000070007705 642953182 /nfs/dbraw/zinc/95/31/82/642953182.db2.gz NATSHLRAIILBPN-NWDGAFQWSA-N 0 3 223.364 3.040 20 0 BGADHN CCN(Cc1cc(F)ccc1OC)CC1CC1 ZINC000070011868 368760871 /nfs/dbraw/zinc/76/08/71/368760871.db2.gz CKSFEOXXYQLMBK-UHFFFAOYSA-N 0 3 237.318 3.066 20 0 BGADHN CCN(Cc1nc2ccccc2o1)CC1CC1 ZINC000070014077 359039046 /nfs/dbraw/zinc/03/90/46/359039046.db2.gz YVSJCRIPQACWJH-UHFFFAOYSA-N 0 3 230.311 3.060 20 0 BGADHN CCN(Cc1ccccc1F)CC1CC1 ZINC000070014084 323161349 /nfs/dbraw/zinc/16/13/49/323161349.db2.gz UTDJRMIJWPZBSN-UHFFFAOYSA-N 0 3 207.292 3.058 20 0 BGADHN CCN(Cc1cccc(F)c1F)CC1CC1 ZINC000070014323 359039120 /nfs/dbraw/zinc/03/91/20/359039120.db2.gz MLQVTUBINXJZTF-UHFFFAOYSA-N 0 3 225.282 3.197 20 0 BGADHN CCCCC[C@@H](C)N[C@@H](C)c1cnccn1 ZINC000070025117 384074002 /nfs/dbraw/zinc/07/40/02/384074002.db2.gz GDPAHMSYZRECSL-NEPJUHHUSA-N 0 3 221.348 3.096 20 0 BGADHN CCCCC[C@H](C)N[C@@H](C)c1cnccn1 ZINC000070025118 384073989 /nfs/dbraw/zinc/07/39/89/384073989.db2.gz GDPAHMSYZRECSL-RYUDHWBXSA-N 0 3 221.348 3.096 20 0 BGADHN CCCCC[C@@H](C)N[C@H](C)c1cnccn1 ZINC000070025121 384074156 /nfs/dbraw/zinc/07/41/56/384074156.db2.gz GDPAHMSYZRECSL-VXGBXAGGSA-N 0 3 221.348 3.096 20 0 BGADHN CCCCC[C@H](C)N[C@H](C)c1cnccn1 ZINC000070025124 384074064 /nfs/dbraw/zinc/07/40/64/384074064.db2.gz GDPAHMSYZRECSL-NWDGAFQWSA-N 0 3 221.348 3.096 20 0 BGADHN c1ccc2c(c1)OC[C@H]2NC1CCCCC1 ZINC000070068769 183453463 /nfs/dbraw/zinc/45/34/63/183453463.db2.gz FTNWMQBRGKILTM-CYBMUJFWSA-N 0 3 217.312 3.042 20 0 BGADHN c1ccc2c(c1)OC[C@@H]2NC1CCCCC1 ZINC000070068770 384075871 /nfs/dbraw/zinc/07/58/71/384075871.db2.gz FTNWMQBRGKILTM-ZDUSSCGKSA-N 0 3 217.312 3.042 20 0 BGADHN COc1cccc(CNCCC2CCCCC2)n1 ZINC000070093319 359040886 /nfs/dbraw/zinc/04/08/86/359040886.db2.gz RCNVYYSJDIOPFO-UHFFFAOYSA-N 0 3 248.370 3.150 20 0 BGADHN CCC1CCC(NCc2cccc(OC)n2)CC1 ZINC000070093395 359041233 /nfs/dbraw/zinc/04/12/33/359041233.db2.gz LARRSOWJOBCWRW-UHFFFAOYSA-N 0 3 248.370 3.149 20 0 BGADHN COc1cccc(CNC[C@H]2CCCC[C@H]2C)n1 ZINC000070093471 359041145 /nfs/dbraw/zinc/04/11/45/359041145.db2.gz OZODTIGSTAONTB-CHWSQXEVSA-N 0 3 248.370 3.006 20 0 BGADHN COc1cccc(CNC[C@H]2CCCC[C@@H]2C)n1 ZINC000070093472 359041363 /nfs/dbraw/zinc/04/13/63/359041363.db2.gz OZODTIGSTAONTB-QWHCGFSZSA-N 0 3 248.370 3.006 20 0 BGADHN COc1cccc(CNC[C@@H]2CCCC[C@H]2C)n1 ZINC000070093473 359041374 /nfs/dbraw/zinc/04/13/74/359041374.db2.gz OZODTIGSTAONTB-OLZOCXBDSA-N 0 3 248.370 3.006 20 0 BGADHN COc1cccc(CNC[C@@H]2CCCC[C@@H]2C)n1 ZINC000070093474 359041243 /nfs/dbraw/zinc/04/12/43/359041243.db2.gz OZODTIGSTAONTB-STQMWFEESA-N 0 3 248.370 3.006 20 0 BGADHN COc1cccc(CNCCC2=CCCCC2)n1 ZINC000070093543 175263340 /nfs/dbraw/zinc/26/33/40/175263340.db2.gz QIBUSWSYYRAAPM-UHFFFAOYSA-N 0 3 246.354 3.070 20 0 BGADHN COc1cccc(CNCC2CCC(C)CC2)n1 ZINC000070093602 359040892 /nfs/dbraw/zinc/04/08/92/359040892.db2.gz LWYVPFCSIGGHDG-UHFFFAOYSA-N 0 3 248.370 3.006 20 0 BGADHN C[C@@H](CC1CC1)NCc1cccc(F)c1F ZINC000070101412 345379866 /nfs/dbraw/zinc/37/98/66/345379866.db2.gz YXVPWOWMXLNCBG-VIFPVBQESA-N 0 3 225.282 3.243 20 0 BGADHN C[C@H](CC1CC1)NCc1cccc(F)c1F ZINC000070101413 345379703 /nfs/dbraw/zinc/37/97/03/345379703.db2.gz YXVPWOWMXLNCBG-SECBINFHSA-N 0 3 225.282 3.243 20 0 BGADHN Cc1nc(CN[C@@H]2CC[C@H](C)C[C@@H]2C)oc1C ZINC000070112875 359042023 /nfs/dbraw/zinc/04/20/23/359042023.db2.gz JGRNDSFPRQXVLU-OUJBWJOFSA-N 0 3 236.359 3.206 20 0 BGADHN Cc1nc(CN[C@@H]2CC[C@@H](C)C[C@@H]2C)oc1C ZINC000070112877 359042036 /nfs/dbraw/zinc/04/20/36/359042036.db2.gz JGRNDSFPRQXVLU-GBIKHYSHSA-N 0 3 236.359 3.206 20 0 BGADHN C[C@@H]1CC[C@H](NCc2ccccc2C#N)[C@H](C)C1 ZINC000070112995 368761385 /nfs/dbraw/zinc/76/13/85/368761385.db2.gz YFAAOVGXQZPFCZ-IOASZLSFSA-N 0 3 242.366 3.473 20 0 BGADHN C[C@@H]1CC[C@@H](NCc2ccccc2C#N)[C@H](C)C1 ZINC000070112997 368760540 /nfs/dbraw/zinc/76/05/40/368760540.db2.gz YFAAOVGXQZPFCZ-XJKCOSOUSA-N 0 3 242.366 3.473 20 0 BGADHN Cc1noc(C)c1CNCC1CCC(C)CC1 ZINC000070141671 398220785 /nfs/dbraw/zinc/22/07/85/398220785.db2.gz HBSPFJNMDMVQNL-UHFFFAOYSA-N 0 3 236.359 3.207 20 0 BGADHN C[C@@H]1CCCN(Cc2ccnc(Cl)c2)CC1 ZINC000070158422 642979653 /nfs/dbraw/zinc/97/96/53/642979653.db2.gz RKFOIULRBDGSQO-LLVKDONJSA-N 0 3 238.762 3.357 20 0 BGADHN C[C@H]1CCCN(Cc2ccnc(Cl)c2)CC1 ZINC000070158423 642977423 /nfs/dbraw/zinc/97/74/23/642977423.db2.gz RKFOIULRBDGSQO-NSHDSACASA-N 0 3 238.762 3.357 20 0 BGADHN Cc1ccc(CNCc2ccsc2)cc1F ZINC000070159245 323169819 /nfs/dbraw/zinc/16/98/19/323169819.db2.gz PUVPPWIKLPYUFZ-UHFFFAOYSA-N 0 3 235.327 3.485 20 0 BGADHN CCCC[C@@H](CC)CNCc1nccs1 ZINC000070159389 371009840 /nfs/dbraw/zinc/00/98/40/371009840.db2.gz LWROCYRLNOKVBS-LLVKDONJSA-N 0 3 226.389 3.449 20 0 BGADHN CCCC[C@H](CC)CNCc1nccs1 ZINC000070159390 371009712 /nfs/dbraw/zinc/00/97/12/371009712.db2.gz LWROCYRLNOKVBS-NSHDSACASA-N 0 3 226.389 3.449 20 0 BGADHN CC(C)(C)CCNCc1cc(F)ccc1F ZINC000070162370 384084217 /nfs/dbraw/zinc/08/42/17/384084217.db2.gz OROGAZMGAQSMCG-UHFFFAOYSA-N 0 3 227.298 3.491 20 0 BGADHN C[C@H](NCc1cc(F)ccc1F)C1(C)CC1 ZINC000070162414 388876640 /nfs/dbraw/zinc/87/66/40/388876640.db2.gz QSDWZKVWRPAUSN-VIFPVBQESA-N 0 3 225.282 3.243 20 0 BGADHN C[C@@H](NCc1cc(F)ccc1F)C1(C)CC1 ZINC000070162415 388875775 /nfs/dbraw/zinc/87/57/75/388875775.db2.gz QSDWZKVWRPAUSN-SECBINFHSA-N 0 3 225.282 3.243 20 0 BGADHN c1cc(CNCCOC2CCCCC2)cs1 ZINC000070167377 183349900 /nfs/dbraw/zinc/34/99/00/183349900.db2.gz YDUYNLKMKYGZBC-UHFFFAOYSA-N 0 3 239.384 3.187 20 0 BGADHN C[C@@H]1C[C@H](NCc2cscn2)CC(C)(C)C1 ZINC000070167398 350505692 /nfs/dbraw/zinc/50/56/92/350505692.db2.gz UDGGJUIYWQOFJG-MNOVXSKESA-N 0 3 238.400 3.448 20 0 BGADHN C[C@H]1C[C@H](NCc2cscn2)CC(C)(C)C1 ZINC000070167399 350506138 /nfs/dbraw/zinc/50/61/38/350506138.db2.gz UDGGJUIYWQOFJG-QWRGUYRKSA-N 0 3 238.400 3.448 20 0 BGADHN C[C@@H]1C[C@@H](NCc2cscn2)CC(C)(C)C1 ZINC000070167400 134976972 /nfs/dbraw/zinc/97/69/72/134976972.db2.gz UDGGJUIYWQOFJG-GHMZBOCLSA-N 0 3 238.400 3.448 20 0 BGADHN C[C@H]1C[C@@H](NCc2cscn2)CC(C)(C)C1 ZINC000070167401 350505671 /nfs/dbraw/zinc/50/56/71/350505671.db2.gz UDGGJUIYWQOFJG-WDEREUQCSA-N 0 3 238.400 3.448 20 0 BGADHN Cc1cc(C)cc(CNCCOC2CCCC2)c1 ZINC000070167917 388877381 /nfs/dbraw/zinc/87/73/81/388877381.db2.gz ARZILAFPFFBPRL-UHFFFAOYSA-N 0 3 247.382 3.352 20 0 BGADHN Cc1ccccc1CNCCOC1CCCC1 ZINC000070168004 387120971 /nfs/dbraw/zinc/12/09/71/387120971.db2.gz ZGTVWUYIEIQRQZ-UHFFFAOYSA-N 0 3 233.355 3.044 20 0 BGADHN Cc1ccc(CNCCOC2CCCC2)cc1 ZINC000070168005 387120846 /nfs/dbraw/zinc/12/08/46/387120846.db2.gz AGTIDIUSOMGGAJ-UHFFFAOYSA-N 0 3 233.355 3.044 20 0 BGADHN Cc1ccccc1CNCCOC1CCCCC1 ZINC000070168131 324996650 /nfs/dbraw/zinc/99/66/50/324996650.db2.gz HNUWEPCPVVBXED-UHFFFAOYSA-N 0 3 247.382 3.434 20 0 BGADHN Cc1cccc(CNCCOC2CCCCC2)c1 ZINC000070168135 324996661 /nfs/dbraw/zinc/99/66/61/324996661.db2.gz AKSLDIJSJRMNAN-UHFFFAOYSA-N 0 3 247.382 3.434 20 0 BGADHN CSCCNCc1ccc(C(F)(F)F)cc1 ZINC000070183993 371014045 /nfs/dbraw/zinc/01/40/45/371014045.db2.gz VTNMKLAAHYULBH-UHFFFAOYSA-N 0 3 249.301 3.158 20 0 BGADHN CSCCNCc1ccccc1C(F)(F)F ZINC000070184009 371013322 /nfs/dbraw/zinc/01/33/22/371013322.db2.gz SWMYXTZCJHCRTR-UHFFFAOYSA-N 0 3 249.301 3.158 20 0 BGADHN CSCCNCc1cccc(C(F)(F)F)c1 ZINC000070184019 371013795 /nfs/dbraw/zinc/01/37/95/371013795.db2.gz DFMQARFLJNGBGY-UHFFFAOYSA-N 0 3 249.301 3.158 20 0 BGADHN CSCCN[C@@H](C)c1ccccc1Cl ZINC000070184498 383883287 /nfs/dbraw/zinc/88/32/87/383883287.db2.gz JHQAFJUFGKHUFO-VIFPVBQESA-N 0 3 229.776 3.354 20 0 BGADHN CSCCN[C@H](C)c1ccccc1Cl ZINC000070184499 383884695 /nfs/dbraw/zinc/88/46/95/383884695.db2.gz JHQAFJUFGKHUFO-SECBINFHSA-N 0 3 229.776 3.354 20 0 BGADHN CSCCN[C@@H](C)c1cccc(Cl)c1 ZINC000070184500 383884026 /nfs/dbraw/zinc/88/40/26/383884026.db2.gz FWOAAFRZUMKAOI-VIFPVBQESA-N 0 3 229.776 3.354 20 0 BGADHN CSCCN[C@H](C)c1cccc(Cl)c1 ZINC000070184501 383884044 /nfs/dbraw/zinc/88/40/44/383884044.db2.gz FWOAAFRZUMKAOI-SECBINFHSA-N 0 3 229.776 3.354 20 0 BGADHN CSCCN[C@@H]1CCSc2ccccc21 ZINC000070184541 345455450 /nfs/dbraw/zinc/45/54/50/345455450.db2.gz OVDKKMMLHYENMX-LLVKDONJSA-N 0 3 239.409 3.176 20 0 BGADHN CSCCN[C@H]1CCSc2ccccc21 ZINC000070184542 345455388 /nfs/dbraw/zinc/45/53/88/345455388.db2.gz OVDKKMMLHYENMX-NSHDSACASA-N 0 3 239.409 3.176 20 0 BGADHN COc1ccc(C)cc1[C@@H](C)NCCSC ZINC000070184586 175078889 /nfs/dbraw/zinc/07/88/89/175078889.db2.gz PZOFVRHIUOEKIF-LLVKDONJSA-N 0 3 239.384 3.017 20 0 BGADHN COc1ccc(C)cc1[C@H](C)NCCSC ZINC000070184587 175081483 /nfs/dbraw/zinc/08/14/83/175081483.db2.gz PZOFVRHIUOEKIF-NSHDSACASA-N 0 3 239.384 3.017 20 0 BGADHN CSCCN[C@@H](C)c1cc2ccccc2o1 ZINC000070184590 384087063 /nfs/dbraw/zinc/08/70/63/384087063.db2.gz QWLVPOBEARRLIU-JTQLQIEISA-N 0 3 235.352 3.446 20 0 BGADHN CSCCN[C@H](C)c1cc2ccccc2o1 ZINC000070184591 384087738 /nfs/dbraw/zinc/08/77/38/384087738.db2.gz QWLVPOBEARRLIU-SNVBAGLBSA-N 0 3 235.352 3.446 20 0 BGADHN CSCCNc1cc(C)nc2ccccc21 ZINC000070184688 387046698 /nfs/dbraw/zinc/04/66/98/387046698.db2.gz JRIDLKHPQTUDBY-UHFFFAOYSA-N 0 3 232.352 3.318 20 0 BGADHN CSCCCNCc1ccc([C@H]2C[C@H]2C)o1 ZINC000070184884 384087429 /nfs/dbraw/zinc/08/74/29/384087429.db2.gz MAJCVGXYUVUCCC-PWSUYJOCSA-N 0 3 239.384 3.246 20 0 BGADHN CSCCCNCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000070184885 384086697 /nfs/dbraw/zinc/08/66/97/384086697.db2.gz MAJCVGXYUVUCCC-JQWIXIFHSA-N 0 3 239.384 3.246 20 0 BGADHN CSCCCNCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000070184886 384087349 /nfs/dbraw/zinc/08/73/49/384087349.db2.gz MAJCVGXYUVUCCC-ZYHUDNBSSA-N 0 3 239.384 3.246 20 0 BGADHN CSCCCNCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000070184887 175486726 /nfs/dbraw/zinc/48/67/26/175486726.db2.gz MAJCVGXYUVUCCC-CMPLNLGQSA-N 0 3 239.384 3.246 20 0 BGADHN CCc1oc2ccccc2c1CNCCSC ZINC000070185897 371013294 /nfs/dbraw/zinc/01/32/94/371013294.db2.gz BOQXZCBRIWDVON-UHFFFAOYSA-N 0 3 249.379 3.448 20 0 BGADHN CC(C)CC[C@@H](C)NCc1cn2ccccc2n1 ZINC000070185926 387121161 /nfs/dbraw/zinc/12/11/61/387121161.db2.gz VSBWMWOQANPIHG-CYBMUJFWSA-N 0 3 245.370 3.249 20 0 BGADHN CC(C)CC[C@H](C)NCc1cn2ccccc2n1 ZINC000070185927 387120640 /nfs/dbraw/zinc/12/06/40/387120640.db2.gz VSBWMWOQANPIHG-ZDUSSCGKSA-N 0 3 245.370 3.249 20 0 BGADHN CC(C)CC[C@@H](C)NCc1nccn1C(F)F ZINC000070186174 384086214 /nfs/dbraw/zinc/08/62/14/384086214.db2.gz CFTUVSQTMVBLLK-SNVBAGLBSA-N 0 3 245.317 3.193 20 0 BGADHN CC(C)CC[C@H](C)NCc1nccn1C(F)F ZINC000070186175 343949024 /nfs/dbraw/zinc/94/90/24/343949024.db2.gz CFTUVSQTMVBLLK-JTQLQIEISA-N 0 3 245.317 3.193 20 0 BGADHN CCCCCCNCc1csc(CC)n1 ZINC000070187227 642988651 /nfs/dbraw/zinc/98/86/51/642988651.db2.gz URDVONJVSYATSE-UHFFFAOYSA-N 0 3 226.389 3.375 20 0 BGADHN CCC(C)(C)N[C@@H](C)C(=O)Nc1ccc(C)cc1 ZINC000070205183 168300081 /nfs/dbraw/zinc/30/00/81/168300081.db2.gz PDSWAJLHHQDROG-LBPRGKRZSA-N 0 3 248.370 3.100 20 0 BGADHN CCC(C)(C)N[C@H](C)C(=O)Nc1ccc(C)cc1 ZINC000070205184 168302847 /nfs/dbraw/zinc/30/28/47/168302847.db2.gz PDSWAJLHHQDROG-GFCCVEGCSA-N 0 3 248.370 3.100 20 0 BGADHN CCc1cccc(OCCN2CCCCC2)c1 ZINC000070247703 323180396 /nfs/dbraw/zinc/18/03/96/323180396.db2.gz HFCWNJMNGMGHFX-UHFFFAOYSA-N 0 3 233.355 3.114 20 0 BGADHN CC1(C)CCCN(CCC(=O)c2ccccc2)C1 ZINC000070259977 359047781 /nfs/dbraw/zinc/04/77/81/359047781.db2.gz DOUYISXLOYPWNP-UHFFFAOYSA-N 0 3 245.366 3.381 20 0 BGADHN C[C@H](NCc1cn2ccccc2n1)C1CCCC1 ZINC000070306755 384099078 /nfs/dbraw/zinc/09/90/78/384099078.db2.gz KOWWZYITOUSERQ-LBPRGKRZSA-N 0 3 243.354 3.003 20 0 BGADHN C[C@@H](NCc1cn2ccccc2n1)C1CCCC1 ZINC000070306756 384099367 /nfs/dbraw/zinc/09/93/67/384099367.db2.gz KOWWZYITOUSERQ-GFCCVEGCSA-N 0 3 243.354 3.003 20 0 BGADHN CC(C)[C@@H]1C[C@H](N[C@@H](C)c2ccco2)CCO1 ZINC000070348324 359050797 /nfs/dbraw/zinc/05/07/97/359050797.db2.gz ZPUKFLJXQNKFPJ-SCRDCRAPSA-N 0 3 237.343 3.134 20 0 BGADHN CC(C)[C@H]1C[C@H](N[C@@H](C)c2ccco2)CCO1 ZINC000070348325 359050329 /nfs/dbraw/zinc/05/03/29/359050329.db2.gz ZPUKFLJXQNKFPJ-OUCADQQQSA-N 0 3 237.343 3.134 20 0 BGADHN CC(C)[C@@H]1C[C@@H](N[C@@H](C)c2ccco2)CCO1 ZINC000070348326 359050402 /nfs/dbraw/zinc/05/04/02/359050402.db2.gz ZPUKFLJXQNKFPJ-OBJOEFQTSA-N 0 3 237.343 3.134 20 0 BGADHN CC(C)[C@H]1C[C@@H](N[C@@H](C)c2ccco2)CCO1 ZINC000070348327 359050702 /nfs/dbraw/zinc/05/07/02/359050702.db2.gz ZPUKFLJXQNKFPJ-SGMGOOAPSA-N 0 3 237.343 3.134 20 0 BGADHN Cc1ccc([C@@H](C)N[C@@H]2CCOC(C)(C)C2)o1 ZINC000070350304 384101222 /nfs/dbraw/zinc/10/12/22/384101222.db2.gz QJQFMYFNVXVYNH-VXGBXAGGSA-N 0 3 237.343 3.196 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H]2CCOC(C)(C)C2)o1 ZINC000070350305 384101581 /nfs/dbraw/zinc/10/15/81/384101581.db2.gz QJQFMYFNVXVYNH-NWDGAFQWSA-N 0 3 237.343 3.196 20 0 BGADHN Cc1ccc([C@@H](C)N[C@H]2CCOC(C)(C)C2)o1 ZINC000070350306 384101611 /nfs/dbraw/zinc/10/16/11/384101611.db2.gz QJQFMYFNVXVYNH-NEPJUHHUSA-N 0 3 237.343 3.196 20 0 BGADHN Cc1ccc([C@H](C)N[C@H]2CCOC(C)(C)C2)o1 ZINC000070350307 384101592 /nfs/dbraw/zinc/10/15/92/384101592.db2.gz QJQFMYFNVXVYNH-RYUDHWBXSA-N 0 3 237.343 3.196 20 0 BGADHN CC[C@@H]1C[C@H](N[C@@H](C)c2ccc(C)o2)CCO1 ZINC000070350308 359050599 /nfs/dbraw/zinc/05/05/99/359050599.db2.gz AORNFXZYUIKQCN-YNEHKIRRSA-N 0 3 237.343 3.196 20 0 BGADHN CC[C@@H]1C[C@@H](N[C@@H](C)c2ccc(C)o2)CCO1 ZINC000070350310 359050803 /nfs/dbraw/zinc/05/08/03/359050803.db2.gz AORNFXZYUIKQCN-RWMBFGLXSA-N 0 3 237.343 3.196 20 0 BGADHN CCCC[C@@H](CC)CN[C@@H](C)c1nccn1C ZINC000070443544 359054195 /nfs/dbraw/zinc/05/41/95/359054195.db2.gz GICYGLNRNOTQTM-QWHCGFSZSA-N 0 3 237.391 3.287 20 0 BGADHN CCCC[C@H](CC)CN[C@@H](C)c1nccn1C ZINC000070443545 359053908 /nfs/dbraw/zinc/05/39/08/359053908.db2.gz GICYGLNRNOTQTM-STQMWFEESA-N 0 3 237.391 3.287 20 0 BGADHN CCCC[C@@H](CC)CN[C@H](C)c1nccn1C ZINC000070443546 359054749 /nfs/dbraw/zinc/05/47/49/359054749.db2.gz GICYGLNRNOTQTM-CHWSQXEVSA-N 0 3 237.391 3.287 20 0 BGADHN CCCC[C@H](CC)CN[C@H](C)c1nccn1C ZINC000070443547 359054062 /nfs/dbraw/zinc/05/40/62/359054062.db2.gz GICYGLNRNOTQTM-OLZOCXBDSA-N 0 3 237.391 3.287 20 0 BGADHN CC(C)CCC[C@@H](C)N[C@@H](C)c1nccn1C ZINC000070443636 359054124 /nfs/dbraw/zinc/05/41/24/359054124.db2.gz YAFZXKTZIJLILL-OLZOCXBDSA-N 0 3 237.391 3.286 20 0 BGADHN CC(C)CCC[C@H](C)N[C@@H](C)c1nccn1C ZINC000070443637 359054107 /nfs/dbraw/zinc/05/41/07/359054107.db2.gz YAFZXKTZIJLILL-STQMWFEESA-N 0 3 237.391 3.286 20 0 BGADHN CC(C)CCC[C@@H](C)N[C@H](C)c1nccn1C ZINC000070443638 359054239 /nfs/dbraw/zinc/05/42/39/359054239.db2.gz YAFZXKTZIJLILL-CHWSQXEVSA-N 0 3 237.391 3.286 20 0 BGADHN CC(C)CCC[C@H](C)N[C@H](C)c1nccn1C ZINC000070443639 359054660 /nfs/dbraw/zinc/05/46/60/359054660.db2.gz YAFZXKTZIJLILL-QWHCGFSZSA-N 0 3 237.391 3.286 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1N[C@@H](C)c1nccn1C ZINC000070444310 359054617 /nfs/dbraw/zinc/05/46/17/359054617.db2.gz LICCVFUOSLQRFH-XQQFMLRXSA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@@H]1CCCC[C@H]1N[C@@H](C)c1nccn1C ZINC000070444312 359054735 /nfs/dbraw/zinc/05/47/35/359054735.db2.gz LICCVFUOSLQRFH-YNEHKIRRSA-N 0 3 235.375 3.040 20 0 BGADHN CCCCCC[C@@H](C)N[C@@H](C)c1nccn1C ZINC000070444838 643027303 /nfs/dbraw/zinc/02/73/03/643027303.db2.gz XJUHRQZAFZORCY-OLZOCXBDSA-N 0 3 237.391 3.430 20 0 BGADHN CCCCCC[C@H](C)N[C@@H](C)c1nccn1C ZINC000070444839 643025854 /nfs/dbraw/zinc/02/58/54/643025854.db2.gz XJUHRQZAFZORCY-STQMWFEESA-N 0 3 237.391 3.430 20 0 BGADHN CCCCCC[C@@H](C)N[C@H](C)c1nccn1C ZINC000070444840 643026639 /nfs/dbraw/zinc/02/66/39/643026639.db2.gz XJUHRQZAFZORCY-CHWSQXEVSA-N 0 3 237.391 3.430 20 0 BGADHN CCCCCC[C@H](C)N[C@H](C)c1nccn1C ZINC000070444841 643027589 /nfs/dbraw/zinc/02/75/89/643027589.db2.gz XJUHRQZAFZORCY-QWHCGFSZSA-N 0 3 237.391 3.430 20 0 BGADHN C[C@H](NCCC1CCCCC1)c1nccn1C ZINC000070444982 359055824 /nfs/dbraw/zinc/05/58/24/359055824.db2.gz ZONKCWSUSBICRQ-LBPRGKRZSA-N 0 3 235.375 3.041 20 0 BGADHN C[C@@H](NCCC1CCCCC1)c1nccn1C ZINC000070444983 359055856 /nfs/dbraw/zinc/05/58/56/359055856.db2.gz ZONKCWSUSBICRQ-GFCCVEGCSA-N 0 3 235.375 3.041 20 0 BGADHN CCC1CCC(CN[C@@H](C)c2nccn2C)CC1 ZINC000070445182 359055902 /nfs/dbraw/zinc/05/59/02/359055902.db2.gz ZCAWAUHOVYKWLJ-HSBZDZAISA-N 0 3 249.402 3.287 20 0 BGADHN CCC1CCC(CN[C@H](C)c2nccn2C)CC1 ZINC000070445183 359056005 /nfs/dbraw/zinc/05/60/05/359056005.db2.gz ZCAWAUHOVYKWLJ-IYXRBSQSSA-N 0 3 249.402 3.287 20 0 BGADHN CCC1CCC(N[C@@H](C)c2nccn2C)CC1 ZINC000070445282 359055959 /nfs/dbraw/zinc/05/59/59/359055959.db2.gz LOTKRBWPHBXYGY-HIFPTAJRSA-N 0 3 235.375 3.040 20 0 BGADHN CCC1CCC(N[C@H](C)c2nccn2C)CC1 ZINC000070445283 359056012 /nfs/dbraw/zinc/05/60/12/359056012.db2.gz LOTKRBWPHBXYGY-PNESKVBLSA-N 0 3 235.375 3.040 20 0 BGADHN CCCC1CCC(N[C@@H](C)c2nccn2C)CC1 ZINC000070445318 134917532 /nfs/dbraw/zinc/91/75/32/134917532.db2.gz HVTLOFLAXUNWCT-HSBZDZAISA-N 0 3 249.402 3.430 20 0 BGADHN CCCC1CCC(N[C@H](C)c2nccn2C)CC1 ZINC000070445319 359055453 /nfs/dbraw/zinc/05/54/53/359055453.db2.gz HVTLOFLAXUNWCT-IYXRBSQSSA-N 0 3 249.402 3.430 20 0 BGADHN C[C@H](N[C@@H](C)C1CCCCC1)c1nccn1C ZINC000070445434 359055833 /nfs/dbraw/zinc/05/58/33/359055833.db2.gz YALCOTHXNFZUOK-RYUDHWBXSA-N 0 3 235.375 3.040 20 0 BGADHN C[C@@H](N[C@@H](C)C1CCCCC1)c1nccn1C ZINC000070445435 359055994 /nfs/dbraw/zinc/05/59/94/359055994.db2.gz YALCOTHXNFZUOK-NWDGAFQWSA-N 0 3 235.375 3.040 20 0 BGADHN C[C@@H](N[C@@H](C)c1nccn1C)C1CCCCC1 ZINC000070445436 359055998 /nfs/dbraw/zinc/05/59/98/359055998.db2.gz YALCOTHXNFZUOK-NEPJUHHUSA-N 0 3 235.375 3.040 20 0 BGADHN C[C@@H](N[C@H](C)C1CCCCC1)c1nccn1C ZINC000070445437 359055192 /nfs/dbraw/zinc/05/51/92/359055192.db2.gz YALCOTHXNFZUOK-VXGBXAGGSA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@H](N[C@@H](C)c1nccn1C)C1CCCCC1 ZINC000070445438 490212771 /nfs/dbraw/zinc/21/27/71/490212771.db2.gz SOWHBRFXRYAYML-JSGCOSHPSA-N 0 3 249.402 3.430 20 0 BGADHN CC[C@@H](N[C@@H](C)c1nccn1C)C1CCCCC1 ZINC000070445439 490212898 /nfs/dbraw/zinc/21/28/98/490212898.db2.gz SOWHBRFXRYAYML-GXTWGEPZSA-N 0 3 249.402 3.430 20 0 BGADHN CC[C@H](N[C@H](C)c1nccn1C)C1CCCCC1 ZINC000070445440 490212636 /nfs/dbraw/zinc/21/26/36/490212636.db2.gz SOWHBRFXRYAYML-OCCSQVGLSA-N 0 3 249.402 3.430 20 0 BGADHN CC[C@@H](N[C@H](C)c1nccn1C)C1CCCCC1 ZINC000070445441 490212835 /nfs/dbraw/zinc/21/28/35/490212835.db2.gz SOWHBRFXRYAYML-TZMCWYRMSA-N 0 3 249.402 3.430 20 0 BGADHN C[C@H](NC1CCCCCCC1)c1cnccn1 ZINC000070477270 384110664 /nfs/dbraw/zinc/11/06/64/384110664.db2.gz RWONFKQOFBRCPN-LBPRGKRZSA-N 0 3 233.359 3.240 20 0 BGADHN C[C@@H](NC1CCCCCCC1)c1cnccn1 ZINC000070477271 384111361 /nfs/dbraw/zinc/11/13/61/384111361.db2.gz RWONFKQOFBRCPN-GFCCVEGCSA-N 0 3 233.359 3.240 20 0 BGADHN C[C@H](NCCC1=CCCCC1)c1cnccn1 ZINC000070477439 384111160 /nfs/dbraw/zinc/11/11/60/384111160.db2.gz DQAWTIPILDVNHC-LBPRGKRZSA-N 0 3 231.343 3.018 20 0 BGADHN C[C@@H](NCCC1=CCCCC1)c1cnccn1 ZINC000070477440 384111513 /nfs/dbraw/zinc/11/15/13/384111513.db2.gz DQAWTIPILDVNHC-GFCCVEGCSA-N 0 3 231.343 3.018 20 0 BGADHN CCCC[C@@H](CC)CN[C@@H](C)c1cnccn1 ZINC000070477522 343951885 /nfs/dbraw/zinc/95/18/85/343951885.db2.gz HBOCUZKSAHFEKT-QWHCGFSZSA-N 0 3 235.375 3.344 20 0 BGADHN CCCC[C@H](CC)CN[C@@H](C)c1cnccn1 ZINC000070477523 343951593 /nfs/dbraw/zinc/95/15/93/343951593.db2.gz HBOCUZKSAHFEKT-STQMWFEESA-N 0 3 235.375 3.344 20 0 BGADHN CCCC[C@@H](CC)CN[C@H](C)c1cnccn1 ZINC000070477524 343951958 /nfs/dbraw/zinc/95/19/58/343951958.db2.gz HBOCUZKSAHFEKT-CHWSQXEVSA-N 0 3 235.375 3.344 20 0 BGADHN CCCC[C@H](CC)CN[C@H](C)c1cnccn1 ZINC000070477525 343951936 /nfs/dbraw/zinc/95/19/36/343951936.db2.gz HBOCUZKSAHFEKT-OLZOCXBDSA-N 0 3 235.375 3.344 20 0 BGADHN CC(C)CCC[C@@H](C)N[C@@H](C)c1cnccn1 ZINC000070477639 384111101 /nfs/dbraw/zinc/11/11/01/384111101.db2.gz YXZRIOWMPRPFIF-OLZOCXBDSA-N 0 3 235.375 3.342 20 0 BGADHN CC(C)CCC[C@H](C)N[C@@H](C)c1cnccn1 ZINC000070477640 384112217 /nfs/dbraw/zinc/11/22/17/384112217.db2.gz YXZRIOWMPRPFIF-STQMWFEESA-N 0 3 235.375 3.342 20 0 BGADHN CC(C)CCC[C@@H](C)N[C@H](C)c1cnccn1 ZINC000070477641 384110858 /nfs/dbraw/zinc/11/08/58/384110858.db2.gz YXZRIOWMPRPFIF-CHWSQXEVSA-N 0 3 235.375 3.342 20 0 BGADHN CC(C)CCC[C@H](C)N[C@H](C)c1cnccn1 ZINC000070477642 384112278 /nfs/dbraw/zinc/11/22/78/384112278.db2.gz YXZRIOWMPRPFIF-QWHCGFSZSA-N 0 3 235.375 3.342 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1N[C@@H](C)c1cnccn1 ZINC000070478496 343952046 /nfs/dbraw/zinc/95/20/46/343952046.db2.gz UJYHAOZAFCBWAY-XQQFMLRXSA-N 0 3 233.359 3.096 20 0 BGADHN CC[C@@H]1CCCC[C@H]1N[C@@H](C)c1cnccn1 ZINC000070478498 343952024 /nfs/dbraw/zinc/95/20/24/343952024.db2.gz UJYHAOZAFCBWAY-YNEHKIRRSA-N 0 3 233.359 3.096 20 0 BGADHN CCCCCC[C@@H](C)N[C@@H](C)c1cnccn1 ZINC000070479020 384114406 /nfs/dbraw/zinc/11/44/06/384114406.db2.gz SDSZPLZLBBGIPT-OLZOCXBDSA-N 0 3 235.375 3.486 20 0 BGADHN CCCCCC[C@H](C)N[C@@H](C)c1cnccn1 ZINC000070479021 384112970 /nfs/dbraw/zinc/11/29/70/384112970.db2.gz SDSZPLZLBBGIPT-STQMWFEESA-N 0 3 235.375 3.486 20 0 BGADHN CCCCCC[C@@H](C)N[C@H](C)c1cnccn1 ZINC000070479022 384113939 /nfs/dbraw/zinc/11/39/39/384113939.db2.gz SDSZPLZLBBGIPT-CHWSQXEVSA-N 0 3 235.375 3.486 20 0 BGADHN CCCCCC[C@H](C)N[C@H](C)c1cnccn1 ZINC000070479023 384114700 /nfs/dbraw/zinc/11/47/00/384114700.db2.gz SDSZPLZLBBGIPT-QWHCGFSZSA-N 0 3 235.375 3.486 20 0 BGADHN C[C@H](NCCC1CCCCC1)c1cnccn1 ZINC000070479166 384115286 /nfs/dbraw/zinc/11/52/86/384115286.db2.gz ZYIJOYFPUDZPIS-LBPRGKRZSA-N 0 3 233.359 3.098 20 0 BGADHN C[C@@H](NCCC1CCCCC1)c1cnccn1 ZINC000070479167 384115155 /nfs/dbraw/zinc/11/51/55/384115155.db2.gz ZYIJOYFPUDZPIS-GFCCVEGCSA-N 0 3 233.359 3.098 20 0 BGADHN CCC1CCC(CN[C@@H](C)c2cnccn2)CC1 ZINC000070479366 384113459 /nfs/dbraw/zinc/11/34/59/384113459.db2.gz ZSQUVGWSTNULIA-HSBZDZAISA-N 0 3 247.386 3.344 20 0 BGADHN CCC1CCC(CN[C@H](C)c2cnccn2)CC1 ZINC000070479367 384114391 /nfs/dbraw/zinc/11/43/91/384114391.db2.gz ZSQUVGWSTNULIA-IYXRBSQSSA-N 0 3 247.386 3.344 20 0 BGADHN CCC1CCC(N[C@@H](C)c2cnccn2)CC1 ZINC000070479466 384114491 /nfs/dbraw/zinc/11/44/91/384114491.db2.gz VLJOUONGKIGYDX-HIFPTAJRSA-N 0 3 233.359 3.096 20 0 BGADHN CCC1CCC(N[C@H](C)c2cnccn2)CC1 ZINC000070479467 384113267 /nfs/dbraw/zinc/11/32/67/384113267.db2.gz VLJOUONGKIGYDX-PNESKVBLSA-N 0 3 233.359 3.096 20 0 BGADHN C[C@H](N[C@@H](C)C1CCCCC1)c1cnccn1 ZINC000070479618 359057650 /nfs/dbraw/zinc/05/76/50/359057650.db2.gz IHDSMMZDCZKFLK-RYUDHWBXSA-N 0 3 233.359 3.096 20 0 BGADHN C[C@@H](N[C@@H](C)C1CCCCC1)c1cnccn1 ZINC000070479619 359057394 /nfs/dbraw/zinc/05/73/94/359057394.db2.gz IHDSMMZDCZKFLK-NWDGAFQWSA-N 0 3 233.359 3.096 20 0 BGADHN C[C@@H](N[C@@H](C)c1cnccn1)C1CCCCC1 ZINC000070479620 359057467 /nfs/dbraw/zinc/05/74/67/359057467.db2.gz IHDSMMZDCZKFLK-NEPJUHHUSA-N 0 3 233.359 3.096 20 0 BGADHN C[C@@H](N[C@H](C)C1CCCCC1)c1cnccn1 ZINC000070479621 359057511 /nfs/dbraw/zinc/05/75/11/359057511.db2.gz IHDSMMZDCZKFLK-VXGBXAGGSA-N 0 3 233.359 3.096 20 0 BGADHN CC[C@H](N[C@@H](C)c1cnccn1)C1CCCCC1 ZINC000070479622 490217735 /nfs/dbraw/zinc/21/77/35/490217735.db2.gz TWGGSBKGWJKLIT-JSGCOSHPSA-N 0 3 247.386 3.486 20 0 BGADHN CC[C@@H](N[C@@H](C)c1cnccn1)C1CCCCC1 ZINC000070479623 490218497 /nfs/dbraw/zinc/21/84/97/490218497.db2.gz TWGGSBKGWJKLIT-GXTWGEPZSA-N 0 3 247.386 3.486 20 0 BGADHN CC[C@H](N[C@H](C)c1cnccn1)C1CCCCC1 ZINC000070479624 490218602 /nfs/dbraw/zinc/21/86/02/490218602.db2.gz TWGGSBKGWJKLIT-OCCSQVGLSA-N 0 3 247.386 3.486 20 0 BGADHN CC[C@@H](N[C@H](C)c1cnccn1)C1CCCCC1 ZINC000070479625 490217987 /nfs/dbraw/zinc/21/79/87/490217987.db2.gz TWGGSBKGWJKLIT-TZMCWYRMSA-N 0 3 247.386 3.486 20 0 BGADHN CC1CCC(N[C@@H]2COc3ccccc32)CC1 ZINC000070528727 359058631 /nfs/dbraw/zinc/05/86/31/359058631.db2.gz UJZPXCURTJBRDB-ORHYLEIMSA-N 0 3 231.339 3.288 20 0 BGADHN CC1CCC(N[C@H]2COc3ccccc32)CC1 ZINC000070528728 359058808 /nfs/dbraw/zinc/05/88/08/359058808.db2.gz UJZPXCURTJBRDB-YIZWMMSDSA-N 0 3 231.339 3.288 20 0 BGADHN C[C@@H]1CCC[C@H](CCNCc2cscn2)C1 ZINC000070532133 359058526 /nfs/dbraw/zinc/05/85/26/359058526.db2.gz NHSNBKWHIOLRKI-VXGBXAGGSA-N 0 3 238.400 3.449 20 0 BGADHN C[C@H]1CCC[C@H](CCNCc2cscn2)C1 ZINC000070532134 359058835 /nfs/dbraw/zinc/05/88/35/359058835.db2.gz NHSNBKWHIOLRKI-NWDGAFQWSA-N 0 3 238.400 3.449 20 0 BGADHN C[C@@H]1CCC[C@@H](CCNCc2cscn2)C1 ZINC000070532135 359058593 /nfs/dbraw/zinc/05/85/93/359058593.db2.gz NHSNBKWHIOLRKI-NEPJUHHUSA-N 0 3 238.400 3.449 20 0 BGADHN C[C@H]1CCC[C@@H](CCNCc2cscn2)C1 ZINC000070532136 359058449 /nfs/dbraw/zinc/05/84/49/359058449.db2.gz NHSNBKWHIOLRKI-RYUDHWBXSA-N 0 3 238.400 3.449 20 0 BGADHN C[C@@H]1CCC[C@H](CCNCc2nccs2)C1 ZINC000070532177 345773909 /nfs/dbraw/zinc/77/39/09/345773909.db2.gz SZHUJIVOKNCQKC-VXGBXAGGSA-N 0 3 238.400 3.449 20 0 BGADHN C[C@H]1CCC[C@H](CCNCc2nccs2)C1 ZINC000070532178 345773834 /nfs/dbraw/zinc/77/38/34/345773834.db2.gz SZHUJIVOKNCQKC-NWDGAFQWSA-N 0 3 238.400 3.449 20 0 BGADHN C[C@@H]1CCC[C@@H](CCNCc2nccs2)C1 ZINC000070532179 345773963 /nfs/dbraw/zinc/77/39/63/345773963.db2.gz SZHUJIVOKNCQKC-NEPJUHHUSA-N 0 3 238.400 3.449 20 0 BGADHN C[C@H]1CCC[C@@H](CCNCc2nccs2)C1 ZINC000070532180 345773900 /nfs/dbraw/zinc/77/39/00/345773900.db2.gz SZHUJIVOKNCQKC-RYUDHWBXSA-N 0 3 238.400 3.449 20 0 BGADHN C[C@@H]1CCC[C@H](CCNCc2cncs2)C1 ZINC000070532197 350535606 /nfs/dbraw/zinc/53/56/06/350535606.db2.gz FGSVSECQKRRAKI-VXGBXAGGSA-N 0 3 238.400 3.449 20 0 BGADHN C[C@H]1CCC[C@H](CCNCc2cncs2)C1 ZINC000070532198 350535373 /nfs/dbraw/zinc/53/53/73/350535373.db2.gz FGSVSECQKRRAKI-NWDGAFQWSA-N 0 3 238.400 3.449 20 0 BGADHN C[C@@H]1CCC[C@@H](CCNCc2cncs2)C1 ZINC000070532199 350535627 /nfs/dbraw/zinc/53/56/27/350535627.db2.gz FGSVSECQKRRAKI-NEPJUHHUSA-N 0 3 238.400 3.449 20 0 BGADHN C[C@H]1CCC[C@@H](CCNCc2cncs2)C1 ZINC000070532200 350535263 /nfs/dbraw/zinc/53/52/63/350535263.db2.gz FGSVSECQKRRAKI-RYUDHWBXSA-N 0 3 238.400 3.449 20 0 BGADHN C[C@H](NCC[C@H]1CCC[C@@H](C)C1)c1cnccn1 ZINC000070537356 134921104 /nfs/dbraw/zinc/92/11/04/134921104.db2.gz FGPDSRSJGVGRGF-HZSPNIEDSA-N 0 3 247.386 3.344 20 0 BGADHN C[C@H](NCC[C@@H]1CCC[C@@H](C)C1)c1cnccn1 ZINC000070537358 359059512 /nfs/dbraw/zinc/05/95/12/359059512.db2.gz FGPDSRSJGVGRGF-RDBSUJKOSA-N 0 3 247.386 3.344 20 0 BGADHN C[C@@H]1CCC[C@H](CCNCc2ccccn2)C1 ZINC000070537508 359059257 /nfs/dbraw/zinc/05/92/57/359059257.db2.gz OFUFPBRTZPSEJP-ZIAGYGMSSA-N 0 3 232.371 3.388 20 0 BGADHN C[C@H]1CCC[C@H](CCNCc2ccccn2)C1 ZINC000070537509 359059695 /nfs/dbraw/zinc/05/96/95/359059695.db2.gz OFUFPBRTZPSEJP-UONOGXRCSA-N 0 3 232.371 3.388 20 0 BGADHN C[C@@H]1CCC[C@@H](CCNCc2ccccn2)C1 ZINC000070537510 359059585 /nfs/dbraw/zinc/05/95/85/359059585.db2.gz OFUFPBRTZPSEJP-KGLIPLIRSA-N 0 3 232.371 3.388 20 0 BGADHN C[C@H]1CCC[C@@H](CCNCc2ccccn2)C1 ZINC000070537511 359059902 /nfs/dbraw/zinc/05/99/02/359059902.db2.gz OFUFPBRTZPSEJP-KBPBESRZSA-N 0 3 232.371 3.388 20 0 BGADHN CCn1ccnc1CNCC[C@@H]1CCC[C@H](C)C1 ZINC000070537738 371044562 /nfs/dbraw/zinc/04/45/62/371044562.db2.gz WADZIDQGVCSDIF-KBPBESRZSA-N 0 3 249.402 3.209 20 0 BGADHN CCn1ccnc1CNCC[C@H]1CCC[C@H](C)C1 ZINC000070537739 371044718 /nfs/dbraw/zinc/04/47/18/371044718.db2.gz WADZIDQGVCSDIF-UONOGXRCSA-N 0 3 249.402 3.209 20 0 BGADHN CCn1ccnc1CNCC[C@@H]1CCC[C@@H](C)C1 ZINC000070537740 371044443 /nfs/dbraw/zinc/04/44/43/371044443.db2.gz WADZIDQGVCSDIF-KGLIPLIRSA-N 0 3 249.402 3.209 20 0 BGADHN CCn1ccnc1CNCC[C@H]1CCC[C@@H](C)C1 ZINC000070537741 371044638 /nfs/dbraw/zinc/04/46/38/371044638.db2.gz WADZIDQGVCSDIF-ZIAGYGMSSA-N 0 3 249.402 3.209 20 0 BGADHN C[C@H](NCC[C@H]1CCC[C@@H](C)C1)c1nccn1C ZINC000070538109 359059576 /nfs/dbraw/zinc/05/95/76/359059576.db2.gz GVTGZJRNGSOPHX-HZSPNIEDSA-N 0 3 249.402 3.287 20 0 BGADHN C[C@H](NCC[C@@H]1CCC[C@@H](C)C1)c1nccn1C ZINC000070538111 359059613 /nfs/dbraw/zinc/05/96/13/359059613.db2.gz GVTGZJRNGSOPHX-RDBSUJKOSA-N 0 3 249.402 3.287 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1NCc1nccs1 ZINC000070557874 343334676 /nfs/dbraw/zinc/33/46/76/343334676.db2.gz TZPSGOYZYLTJSY-MNOVXSKESA-N 0 3 224.373 3.202 20 0 BGADHN CC[C@H]1CCCC[C@@H]1NCc1nccs1 ZINC000070557875 383942861 /nfs/dbraw/zinc/94/28/61/383942861.db2.gz TZPSGOYZYLTJSY-QWRGUYRKSA-N 0 3 224.373 3.202 20 0 BGADHN CC[C@@H]1CCCC[C@H]1NCc1nccs1 ZINC000070557876 343334792 /nfs/dbraw/zinc/33/47/92/343334792.db2.gz TZPSGOYZYLTJSY-GHMZBOCLSA-N 0 3 224.373 3.202 20 0 BGADHN CC[C@H]1CCCC[C@H]1NCc1nccs1 ZINC000070557877 383942434 /nfs/dbraw/zinc/94/24/34/383942434.db2.gz TZPSGOYZYLTJSY-WDEREUQCSA-N 0 3 224.373 3.202 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1NCc1cc(C)on1 ZINC000070558468 350534583 /nfs/dbraw/zinc/53/45/83/350534583.db2.gz NRSXWHBMTWGGDK-YPMHNXCESA-N 0 3 222.332 3.041 20 0 BGADHN CC[C@H]1CCCC[C@@H]1NCc1cc(C)on1 ZINC000070558469 350534613 /nfs/dbraw/zinc/53/46/13/350534613.db2.gz NRSXWHBMTWGGDK-AAEUAGOBSA-N 0 3 222.332 3.041 20 0 BGADHN CC[C@@H]1CCCC[C@H]1NCc1cc(C)on1 ZINC000070558470 350534498 /nfs/dbraw/zinc/53/44/98/350534498.db2.gz NRSXWHBMTWGGDK-DGCLKSJQSA-N 0 3 222.332 3.041 20 0 BGADHN CC[C@H]1CCCC[C@H]1NCc1cc(C)on1 ZINC000070558471 350534743 /nfs/dbraw/zinc/53/47/43/350534743.db2.gz NRSXWHBMTWGGDK-WCQYABFASA-N 0 3 222.332 3.041 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1NCc1cc(C)no1 ZINC000070558476 350536925 /nfs/dbraw/zinc/53/69/25/350536925.db2.gz GYBKBLLJVYNHCW-YPMHNXCESA-N 0 3 222.332 3.041 20 0 BGADHN CC[C@H]1CCCC[C@@H]1NCc1cc(C)no1 ZINC000070558477 350536798 /nfs/dbraw/zinc/53/67/98/350536798.db2.gz GYBKBLLJVYNHCW-AAEUAGOBSA-N 0 3 222.332 3.041 20 0 BGADHN CC[C@@H]1CCCC[C@H]1NCc1cc(C)no1 ZINC000070558478 350536791 /nfs/dbraw/zinc/53/67/91/350536791.db2.gz GYBKBLLJVYNHCW-DGCLKSJQSA-N 0 3 222.332 3.041 20 0 BGADHN CC[C@H]1CCCC[C@H]1NCc1cc(C)no1 ZINC000070558479 350536816 /nfs/dbraw/zinc/53/68/16/350536816.db2.gz GYBKBLLJVYNHCW-WCQYABFASA-N 0 3 222.332 3.041 20 0 BGADHN C[C@H](NCC1(C)COC1)c1ccccc1Cl ZINC000070559423 384119829 /nfs/dbraw/zinc/11/98/29/384119829.db2.gz ZNGSPBGDOBGGFD-JTQLQIEISA-N 0 3 239.746 3.027 20 0 BGADHN C[C@@H](NCC1(C)COC1)c1ccccc1Cl ZINC000070559424 384119629 /nfs/dbraw/zinc/11/96/29/384119629.db2.gz ZNGSPBGDOBGGFD-SNVBAGLBSA-N 0 3 239.746 3.027 20 0 BGADHN CC[C@@H]1CCC[C@H](NCc2ccco2)C1 ZINC000070562081 350536387 /nfs/dbraw/zinc/53/63/87/350536387.db2.gz WHSSWDMQYKMUMJ-NEPJUHHUSA-N 0 3 207.317 3.338 20 0 BGADHN CC[C@H]1CCC[C@H](NCc2ccco2)C1 ZINC000070562082 343335009 /nfs/dbraw/zinc/33/50/09/343335009.db2.gz WHSSWDMQYKMUMJ-RYUDHWBXSA-N 0 3 207.317 3.338 20 0 BGADHN CC[C@@H]1CCC[C@@H](NCc2ccco2)C1 ZINC000070562083 343335151 /nfs/dbraw/zinc/33/51/51/343335151.db2.gz WHSSWDMQYKMUMJ-VXGBXAGGSA-N 0 3 207.317 3.338 20 0 BGADHN CC[C@H]1CCC[C@@H](NCc2ccco2)C1 ZINC000070562084 343335136 /nfs/dbraw/zinc/33/51/36/343335136.db2.gz WHSSWDMQYKMUMJ-NWDGAFQWSA-N 0 3 207.317 3.338 20 0 BGADHN CC[C@@H]1CCC[C@H](NCc2nccs2)C1 ZINC000070562797 343335106 /nfs/dbraw/zinc/33/51/06/343335106.db2.gz BUOIZXJWRAMOPI-MNOVXSKESA-N 0 3 224.373 3.202 20 0 BGADHN CC[C@H]1CCC[C@H](NCc2nccs2)C1 ZINC000070562798 383942352 /nfs/dbraw/zinc/94/23/52/383942352.db2.gz BUOIZXJWRAMOPI-QWRGUYRKSA-N 0 3 224.373 3.202 20 0 BGADHN CC[C@@H]1CCC[C@@H](NCc2nccs2)C1 ZINC000070562799 343334999 /nfs/dbraw/zinc/33/49/99/343334999.db2.gz BUOIZXJWRAMOPI-GHMZBOCLSA-N 0 3 224.373 3.202 20 0 BGADHN CC[C@H]1CCC[C@@H](NCc2nccs2)C1 ZINC000070562800 383941427 /nfs/dbraw/zinc/94/14/27/383941427.db2.gz BUOIZXJWRAMOPI-WDEREUQCSA-N 0 3 224.373 3.202 20 0 BGADHN CC[C@@H]1CCC[C@H](NCc2cc(C)on2)C1 ZINC000070562853 170995833 /nfs/dbraw/zinc/99/58/33/170995833.db2.gz REYYGDUZIPZCBD-NEPJUHHUSA-N 0 3 222.332 3.041 20 0 BGADHN CC[C@H]1CCC[C@H](NCc2cc(C)on2)C1 ZINC000070562854 386574673 /nfs/dbraw/zinc/57/46/73/386574673.db2.gz REYYGDUZIPZCBD-RYUDHWBXSA-N 0 3 222.332 3.041 20 0 BGADHN CC[C@@H]1CCC[C@@H](NCc2cc(C)on2)C1 ZINC000070562855 350540929 /nfs/dbraw/zinc/54/09/29/350540929.db2.gz REYYGDUZIPZCBD-VXGBXAGGSA-N 0 3 222.332 3.041 20 0 BGADHN CC[C@H]1CCC[C@@H](NCc2cc(C)on2)C1 ZINC000070562856 386574334 /nfs/dbraw/zinc/57/43/34/386574334.db2.gz REYYGDUZIPZCBD-NWDGAFQWSA-N 0 3 222.332 3.041 20 0 BGADHN CC[C@@H]1CCC[C@H](NCc2cc(C)no2)C1 ZINC000070562869 350541021 /nfs/dbraw/zinc/54/10/21/350541021.db2.gz JETUGWXZTOMUGA-NEPJUHHUSA-N 0 3 222.332 3.041 20 0 BGADHN CC[C@H]1CCC[C@H](NCc2cc(C)no2)C1 ZINC000070562870 350538964 /nfs/dbraw/zinc/53/89/64/350538964.db2.gz JETUGWXZTOMUGA-RYUDHWBXSA-N 0 3 222.332 3.041 20 0 BGADHN CC[C@@H]1CCC[C@@H](NCc2cc(C)no2)C1 ZINC000070562871 350538915 /nfs/dbraw/zinc/53/89/15/350538915.db2.gz JETUGWXZTOMUGA-VXGBXAGGSA-N 0 3 222.332 3.041 20 0 BGADHN CC[C@H]1CCC[C@@H](NCc2cc(C)no2)C1 ZINC000070562872 350538983 /nfs/dbraw/zinc/53/89/83/350538983.db2.gz JETUGWXZTOMUGA-NWDGAFQWSA-N 0 3 222.332 3.041 20 0 BGADHN CC[C@@H]1CCC[C@H](NCc2cscn2)C1 ZINC000070563009 343335104 /nfs/dbraw/zinc/33/51/04/343335104.db2.gz FZTUOBKHIUVRCW-MNOVXSKESA-N 0 3 224.373 3.202 20 0 BGADHN CC[C@H]1CCC[C@H](NCc2cscn2)C1 ZINC000070563010 383942879 /nfs/dbraw/zinc/94/28/79/383942879.db2.gz FZTUOBKHIUVRCW-QWRGUYRKSA-N 0 3 224.373 3.202 20 0 BGADHN CC[C@@H]1CCC[C@@H](NCc2cscn2)C1 ZINC000070563011 343335004 /nfs/dbraw/zinc/33/50/04/343335004.db2.gz FZTUOBKHIUVRCW-GHMZBOCLSA-N 0 3 224.373 3.202 20 0 BGADHN CC[C@H]1CCC[C@@H](NCc2cscn2)C1 ZINC000070563012 383942192 /nfs/dbraw/zinc/94/21/92/383942192.db2.gz FZTUOBKHIUVRCW-WDEREUQCSA-N 0 3 224.373 3.202 20 0 BGADHN Cn1cccc1CNCc1ccc(Cl)s1 ZINC000070599616 180731716 /nfs/dbraw/zinc/73/17/16/180731716.db2.gz XIEPPNAILYPJHI-UHFFFAOYSA-N 0 3 240.759 3.030 20 0 BGADHN Clc1ccc(CN[C@@H]2CCCSC2)s1 ZINC000070599796 388065622 /nfs/dbraw/zinc/06/56/22/388065622.db2.gz DKIHANVIOFZXLC-MRVPVSSYSA-N 0 3 247.816 3.387 20 0 BGADHN Clc1ccc(CN[C@H]2CCCSC2)s1 ZINC000070599797 388066224 /nfs/dbraw/zinc/06/62/24/388066224.db2.gz DKIHANVIOFZXLC-QMMMGPOBSA-N 0 3 247.816 3.387 20 0 BGADHN Cc1csc([C@@H](C)NCC(C)(C)C)n1 ZINC000070621352 345791764 /nfs/dbraw/zinc/79/17/64/345791764.db2.gz MYVJGXIUDBXPOX-SECBINFHSA-N 0 3 212.362 3.148 20 0 BGADHN Cc1csc([C@H](C)NCC(C)(C)C)n1 ZINC000070621353 345791753 /nfs/dbraw/zinc/79/17/53/345791753.db2.gz MYVJGXIUDBXPOX-VIFPVBQESA-N 0 3 212.362 3.148 20 0 BGADHN Cc1sc(CNCC2CC2)nc1C(C)C ZINC000070621593 343335401 /nfs/dbraw/zinc/33/54/01/343335401.db2.gz YNZKNPKBVMHBKC-UHFFFAOYSA-N 0 3 224.373 3.075 20 0 BGADHN CC1(C)CCC(NCc2nccs2)CC1 ZINC000070623130 383944375 /nfs/dbraw/zinc/94/43/75/383944375.db2.gz CKFSKXPNZCOYJK-UHFFFAOYSA-N 0 3 224.373 3.202 20 0 BGADHN Cc1cc(CNC2CCC(C)(C)CC2)no1 ZINC000070623155 359060458 /nfs/dbraw/zinc/06/04/58/359060458.db2.gz CJNGRXYPUKNONZ-UHFFFAOYSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1cc(CNC2CCC(C)(C)CC2)on1 ZINC000070623159 350551122 /nfs/dbraw/zinc/55/11/22/350551122.db2.gz LAUXAEFQUFBFBC-UHFFFAOYSA-N 0 3 222.332 3.041 20 0 BGADHN CC1(C)CCC(NCc2cscn2)CC1 ZINC000070623197 383944183 /nfs/dbraw/zinc/94/41/83/383944183.db2.gz MLBSJDGLGBPOJI-UHFFFAOYSA-N 0 3 224.373 3.202 20 0 BGADHN Clc1ccc(CNC2CCCCC2)nc1 ZINC000070624942 383945047 /nfs/dbraw/zinc/94/50/47/383945047.db2.gz NRQOCUOFOHPRGA-UHFFFAOYSA-N 0 3 224.735 3.157 20 0 BGADHN CC1(C)CCC[C@H](NCc2nccs2)C1 ZINC000070629006 343336198 /nfs/dbraw/zinc/33/61/98/343336198.db2.gz AHNRENJRDBDGJP-JTQLQIEISA-N 0 3 224.373 3.202 20 0 BGADHN CC1(C)CCC[C@@H](NCc2nccs2)C1 ZINC000070629007 343336278 /nfs/dbraw/zinc/33/62/78/343336278.db2.gz AHNRENJRDBDGJP-SNVBAGLBSA-N 0 3 224.373 3.202 20 0 BGADHN Cc1cc(CN[C@@H]2CCCC(C)(C)C2)no1 ZINC000070629028 178032893 /nfs/dbraw/zinc/03/28/93/178032893.db2.gz RQGNVJWFUFOMTH-LLVKDONJSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1cc(CN[C@H]2CCCC(C)(C)C2)no1 ZINC000070629029 178040177 /nfs/dbraw/zinc/04/01/77/178040177.db2.gz RQGNVJWFUFOMTH-NSHDSACASA-N 0 3 222.332 3.041 20 0 BGADHN Cc1cc(CN[C@@H]2CCCC(C)(C)C2)on1 ZINC000070629036 178033086 /nfs/dbraw/zinc/03/30/86/178033086.db2.gz DEZMDNRJMKQLCX-LLVKDONJSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1cc(CN[C@H]2CCCC(C)(C)C2)on1 ZINC000070629037 178039908 /nfs/dbraw/zinc/03/99/08/178039908.db2.gz DEZMDNRJMKQLCX-NSHDSACASA-N 0 3 222.332 3.041 20 0 BGADHN CC1(C)CCC[C@H](NCc2cscn2)C1 ZINC000070629062 343336302 /nfs/dbraw/zinc/33/63/02/343336302.db2.gz YDOCDXBWBOHVHD-JTQLQIEISA-N 0 3 224.373 3.202 20 0 BGADHN CC1(C)CCC[C@@H](NCc2cscn2)C1 ZINC000070629063 343336229 /nfs/dbraw/zinc/33/62/29/343336229.db2.gz YDOCDXBWBOHVHD-SNVBAGLBSA-N 0 3 224.373 3.202 20 0 BGADHN CC[C@H](N[C@@H](C)C(C)C)c1nccs1 ZINC000070633877 135000021 /nfs/dbraw/zinc/00/00/21/135000021.db2.gz KLSUWTKONRNTJX-UWVGGRQHSA-N 0 3 212.362 3.228 20 0 BGADHN CC[C@@H](N[C@@H](C)C(C)C)c1nccs1 ZINC000070633878 343336419 /nfs/dbraw/zinc/33/64/19/343336419.db2.gz KLSUWTKONRNTJX-VHSXEESVSA-N 0 3 212.362 3.228 20 0 BGADHN CC[C@H](N[C@H](C)C(C)C)c1nccs1 ZINC000070633879 135000314 /nfs/dbraw/zinc/00/03/14/135000314.db2.gz KLSUWTKONRNTJX-ZJUUUORDSA-N 0 3 212.362 3.228 20 0 BGADHN CC[C@@H](N[C@H](C)C(C)C)c1nccs1 ZINC000070633880 135000060 /nfs/dbraw/zinc/00/00/60/135000060.db2.gz KLSUWTKONRNTJX-NXEZZACHSA-N 0 3 212.362 3.228 20 0 BGADHN CCC[C@@H](C)N[C@@H](CC)c1nccs1 ZINC000070633883 343336473 /nfs/dbraw/zinc/33/64/73/343336473.db2.gz YWNVNQWDOWANMC-ZJUUUORDSA-N 0 3 212.362 3.372 20 0 BGADHN CCC[C@H](C)N[C@@H](CC)c1nccs1 ZINC000070633884 343336461 /nfs/dbraw/zinc/33/64/61/343336461.db2.gz YWNVNQWDOWANMC-UWVGGRQHSA-N 0 3 212.362 3.372 20 0 BGADHN CCC[C@@H](C)N[C@H](CC)c1nccs1 ZINC000070633885 135000658 /nfs/dbraw/zinc/00/06/58/135000658.db2.gz YWNVNQWDOWANMC-NXEZZACHSA-N 0 3 212.362 3.372 20 0 BGADHN CCC[C@H](C)N[C@H](CC)c1nccs1 ZINC000070633886 343336399 /nfs/dbraw/zinc/33/63/99/343336399.db2.gz YWNVNQWDOWANMC-VHSXEESVSA-N 0 3 212.362 3.372 20 0 BGADHN CC[C@H](NCCC(C)C)c1nccs1 ZINC000070633903 535898548 /nfs/dbraw/zinc/89/85/48/535898548.db2.gz UJTYISUZLSIIMJ-JTQLQIEISA-N 0 3 212.362 3.230 20 0 BGADHN CC[C@@H](NCCC(C)C)c1nccs1 ZINC000070633904 535803383 /nfs/dbraw/zinc/80/33/83/535803383.db2.gz UJTYISUZLSIIMJ-SNVBAGLBSA-N 0 3 212.362 3.230 20 0 BGADHN CC[C@@H](C)CN[C@@H](CC)c1nccs1 ZINC000070633921 535524744 /nfs/dbraw/zinc/52/47/44/535524744.db2.gz IYUQIOLNRJJLIU-ZJUUUORDSA-N 0 3 212.362 3.230 20 0 BGADHN CC[C@H](C)CN[C@@H](CC)c1nccs1 ZINC000070633922 343336257 /nfs/dbraw/zinc/33/62/57/343336257.db2.gz IYUQIOLNRJJLIU-UWVGGRQHSA-N 0 3 212.362 3.230 20 0 BGADHN CC[C@@H](C)CN[C@H](CC)c1nccs1 ZINC000070633923 350557340 /nfs/dbraw/zinc/55/73/40/350557340.db2.gz IYUQIOLNRJJLIU-NXEZZACHSA-N 0 3 212.362 3.230 20 0 BGADHN CC[C@@H](NC[C@@H](C)CC)c1nccs1 ZINC000070633924 343336441 /nfs/dbraw/zinc/33/64/41/343336441.db2.gz IYUQIOLNRJJLIU-VHSXEESVSA-N 0 3 212.362 3.230 20 0 BGADHN CCC(CC)N[C@@H](CC)c1nccs1 ZINC000070633939 343336438 /nfs/dbraw/zinc/33/64/38/343336438.db2.gz XPBIOISXKOHOGZ-JTQLQIEISA-N 0 3 212.362 3.372 20 0 BGADHN CCC(CC)N[C@H](CC)c1nccs1 ZINC000070633940 350557166 /nfs/dbraw/zinc/55/71/66/350557166.db2.gz XPBIOISXKOHOGZ-SNVBAGLBSA-N 0 3 212.362 3.372 20 0 BGADHN CCCCCN[C@@H](CC)c1nccs1 ZINC000070633941 343336445 /nfs/dbraw/zinc/33/64/45/343336445.db2.gz PADOPXHFBWBJKY-JTQLQIEISA-N 0 3 212.362 3.374 20 0 BGADHN CCCCCN[C@H](CC)c1nccs1 ZINC000070633942 343336379 /nfs/dbraw/zinc/33/63/79/343336379.db2.gz PADOPXHFBWBJKY-SNVBAGLBSA-N 0 3 212.362 3.374 20 0 BGADHN CC[C@H](NC1CCCC1)c1nccs1 ZINC000070633945 343336396 /nfs/dbraw/zinc/33/63/96/343336396.db2.gz WDVREVMMRZSDPI-JTQLQIEISA-N 0 3 210.346 3.126 20 0 BGADHN CC[C@@H](NC1CCCC1)c1nccs1 ZINC000070633946 343336364 /nfs/dbraw/zinc/33/63/64/343336364.db2.gz WDVREVMMRZSDPI-SNVBAGLBSA-N 0 3 210.346 3.126 20 0 BGADHN CCC(CC)CN[C@@H](C)c1nccs1 ZINC000070633955 168363845 /nfs/dbraw/zinc/36/38/45/168363845.db2.gz WQRXUBARFDWODJ-VIFPVBQESA-N 0 3 212.362 3.230 20 0 BGADHN CCC(CC)CN[C@H](C)c1nccs1 ZINC000070633956 168365204 /nfs/dbraw/zinc/36/52/04/168365204.db2.gz WQRXUBARFDWODJ-SECBINFHSA-N 0 3 212.362 3.230 20 0 BGADHN CC(C)C[C@@H](C)N[C@@H](C)c1nccs1 ZINC000070633957 188287611 /nfs/dbraw/zinc/28/76/11/188287611.db2.gz COOCRQAAAAFOCG-ZJUUUORDSA-N 0 3 212.362 3.228 20 0 BGADHN CC(C)C[C@H](C)N[C@@H](C)c1nccs1 ZINC000070633958 188287078 /nfs/dbraw/zinc/28/70/78/188287078.db2.gz COOCRQAAAAFOCG-UWVGGRQHSA-N 0 3 212.362 3.228 20 0 BGADHN CC(C)C[C@@H](C)N[C@H](C)c1nccs1 ZINC000070633959 188113362 /nfs/dbraw/zinc/11/33/62/188113362.db2.gz COOCRQAAAAFOCG-NXEZZACHSA-N 0 3 212.362 3.228 20 0 BGADHN CC(C)C[C@H](C)N[C@H](C)c1nccs1 ZINC000070633960 383948375 /nfs/dbraw/zinc/94/83/75/383948375.db2.gz COOCRQAAAAFOCG-VHSXEESVSA-N 0 3 212.362 3.228 20 0 BGADHN C[C@H](N[C@H]1CCC[C@@H](C)C1)c1nccs1 ZINC000070633989 383948317 /nfs/dbraw/zinc/94/83/17/383948317.db2.gz JUXXIVHUSHZHRT-VWYCJHECSA-N 0 3 224.373 3.372 20 0 BGADHN C[C@H](N[C@H]1CCC[C@H](C)C1)c1nccs1 ZINC000070633990 325018677 /nfs/dbraw/zinc/01/86/77/325018677.db2.gz JUXXIVHUSHZHRT-DCAQKATOSA-N 0 3 224.373 3.372 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@@H](C)C1)c1nccs1 ZINC000070633991 383948164 /nfs/dbraw/zinc/94/81/64/383948164.db2.gz JUXXIVHUSHZHRT-OUAUKWLOSA-N 0 3 224.373 3.372 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@H](C)C1)c1nccs1 ZINC000070633992 325018593 /nfs/dbraw/zinc/01/85/93/325018593.db2.gz JUXXIVHUSHZHRT-GARJFASQSA-N 0 3 224.373 3.372 20 0 BGADHN C[C@H](NC[C@H]1CC=CCC1)c1nccs1 ZINC000070633995 383949819 /nfs/dbraw/zinc/94/98/19/383949819.db2.gz YRRNBGDSSRBENR-QWRGUYRKSA-N 0 3 222.357 3.150 20 0 BGADHN C[C@@H](NC[C@H]1CC=CCC1)c1nccs1 ZINC000070633996 383947273 /nfs/dbraw/zinc/94/72/73/383947273.db2.gz YRRNBGDSSRBENR-MNOVXSKESA-N 0 3 222.357 3.150 20 0 BGADHN C[C@H](NC[C@@H]1CC=CCC1)c1nccs1 ZINC000070633997 383948089 /nfs/dbraw/zinc/94/80/89/383948089.db2.gz YRRNBGDSSRBENR-WDEREUQCSA-N 0 3 222.357 3.150 20 0 BGADHN C[C@@H](NC[C@@H]1CC=CCC1)c1nccs1 ZINC000070633998 383949587 /nfs/dbraw/zinc/94/95/87/383949587.db2.gz YRRNBGDSSRBENR-GHMZBOCLSA-N 0 3 222.357 3.150 20 0 BGADHN C[C@H](N[C@@H](C)C1CCCC1)c1nccs1 ZINC000070634023 383947733 /nfs/dbraw/zinc/94/77/33/383947733.db2.gz JRGPRBDODCVWCD-UWVGGRQHSA-N 0 3 224.373 3.372 20 0 BGADHN C[C@@H](N[C@@H](C)C1CCCC1)c1nccs1 ZINC000070634024 383947229 /nfs/dbraw/zinc/94/72/29/383947229.db2.gz JRGPRBDODCVWCD-VHSXEESVSA-N 0 3 224.373 3.372 20 0 BGADHN C[C@@H](N[C@@H](C)c1nccs1)C1CCCC1 ZINC000070634025 383949720 /nfs/dbraw/zinc/94/97/20/383949720.db2.gz JRGPRBDODCVWCD-ZJUUUORDSA-N 0 3 224.373 3.372 20 0 BGADHN C[C@@H](N[C@H](C)C1CCCC1)c1nccs1 ZINC000070634026 383948670 /nfs/dbraw/zinc/94/86/70/383948670.db2.gz JRGPRBDODCVWCD-NXEZZACHSA-N 0 3 224.373 3.372 20 0 BGADHN C[C@H](NCC1CCCCC1)c1nccs1 ZINC000070634027 325018673 /nfs/dbraw/zinc/01/86/73/325018673.db2.gz NIBXCLUDIQRRJY-JTQLQIEISA-N 0 3 224.373 3.374 20 0 BGADHN C[C@H](NC1CCCCC1)c1nccs1 ZINC000070634035 384128238 /nfs/dbraw/zinc/12/82/38/384128238.db2.gz MEEURLYHMRVWRH-VIFPVBQESA-N 0 3 210.346 3.126 20 0 BGADHN C[C@@H](NC1CCCCC1)c1nccs1 ZINC000070634036 384126528 /nfs/dbraw/zinc/12/65/28/384126528.db2.gz MEEURLYHMRVWRH-SECBINFHSA-N 0 3 210.346 3.126 20 0 BGADHN CCCC[C@@H](C)N[C@@H](C)c1nccs1 ZINC000070634039 325018514 /nfs/dbraw/zinc/01/85/14/325018514.db2.gz BYALNOCSKRYCEA-ZJUUUORDSA-N 0 3 212.362 3.372 20 0 BGADHN CCCC[C@H](C)N[C@@H](C)c1nccs1 ZINC000070634040 325018737 /nfs/dbraw/zinc/01/87/37/325018737.db2.gz BYALNOCSKRYCEA-UWVGGRQHSA-N 0 3 212.362 3.372 20 0 BGADHN CC[C@@H](C)[C@@H](C)N[C@@H](C)c1nccs1 ZINC000070634059 325018967 /nfs/dbraw/zinc/01/89/67/325018967.db2.gz UBBRIGHVOJRCRT-BBBLOLIVSA-N 0 3 212.362 3.228 20 0 BGADHN CC[C@H](C)[C@@H](C)N[C@@H](C)c1nccs1 ZINC000070634060 171367101 /nfs/dbraw/zinc/36/71/01/171367101.db2.gz UBBRIGHVOJRCRT-AEJSXWLSSA-N 0 3 212.362 3.228 20 0 BGADHN CC[C@@H](C)[C@H](C)N[C@@H](C)c1nccs1 ZINC000070634061 325018589 /nfs/dbraw/zinc/01/85/89/325018589.db2.gz UBBRIGHVOJRCRT-UTLUCORTSA-N 0 3 212.362 3.228 20 0 BGADHN CC[C@H](C)[C@H](C)N[C@@H](C)c1nccs1 ZINC000070634062 171390422 /nfs/dbraw/zinc/39/04/22/171390422.db2.gz UBBRIGHVOJRCRT-GUBZILKMSA-N 0 3 212.362 3.228 20 0 BGADHN CCCCCCN[C@@H](C)c1nccs1 ZINC000070634063 384126468 /nfs/dbraw/zinc/12/64/68/384126468.db2.gz WOZWWSVBJKRISN-JTQLQIEISA-N 0 3 212.362 3.374 20 0 BGADHN CCCCCCN[C@H](C)c1nccs1 ZINC000070634064 384126739 /nfs/dbraw/zinc/12/67/39/384126739.db2.gz WOZWWSVBJKRISN-SNVBAGLBSA-N 0 3 212.362 3.374 20 0 BGADHN C[C@H](NCCC(C)(C)C)c1nccs1 ZINC000070634065 134999206 /nfs/dbraw/zinc/99/92/06/134999206.db2.gz KOBBYIFAAUNHPU-VIFPVBQESA-N 0 3 212.362 3.230 20 0 BGADHN C[C@@H](NCCC(C)(C)C)c1nccs1 ZINC000070634066 343336436 /nfs/dbraw/zinc/33/64/36/343336436.db2.gz KOBBYIFAAUNHPU-SECBINFHSA-N 0 3 212.362 3.230 20 0 BGADHN C[C@H](NC1CCC(C)CC1)c1nccs1 ZINC000070634067 343336297 /nfs/dbraw/zinc/33/62/97/343336297.db2.gz VQQRBJVJMKQEJM-YVNMAJEFSA-N 0 3 224.373 3.372 20 0 BGADHN C[C@@H](NC1CCC(C)CC1)c1nccs1 ZINC000070634068 343336421 /nfs/dbraw/zinc/33/64/21/343336421.db2.gz VQQRBJVJMKQEJM-HSOILSAZSA-N 0 3 224.373 3.372 20 0 BGADHN CCC[C@@H](C)CN[C@@H](C)c1nccs1 ZINC000070634093 325019565 /nfs/dbraw/zinc/01/95/65/325019565.db2.gz FWUOBUSAYDQDNI-ZJUUUORDSA-N 0 3 212.362 3.230 20 0 BGADHN CCC[C@H](C)CN[C@@H](C)c1nccs1 ZINC000070634094 325019460 /nfs/dbraw/zinc/01/94/60/325019460.db2.gz FWUOBUSAYDQDNI-UWVGGRQHSA-N 0 3 212.362 3.230 20 0 BGADHN CC[C@H](N[C@@H](C)c1nccs1)C(C)C ZINC000070634109 383947318 /nfs/dbraw/zinc/94/73/18/383947318.db2.gz SFHXOJXIIWFOPH-UWVGGRQHSA-N 0 3 212.362 3.228 20 0 BGADHN CC[C@@H](N[C@@H](C)c1nccs1)C(C)C ZINC000070634110 343336451 /nfs/dbraw/zinc/33/64/51/343336451.db2.gz SFHXOJXIIWFOPH-VHSXEESVSA-N 0 3 212.362 3.228 20 0 BGADHN Cc1csc([C@@H](C)N[C@@H](C)C(C)C)n1 ZINC000070634141 343336426 /nfs/dbraw/zinc/33/64/26/343336426.db2.gz BBYFOTWUCFWPJQ-VHSXEESVSA-N 0 3 212.362 3.147 20 0 BGADHN Cc1csc([C@H](C)N[C@@H](C)C(C)C)n1 ZINC000070634142 343336351 /nfs/dbraw/zinc/33/63/51/343336351.db2.gz BBYFOTWUCFWPJQ-UWVGGRQHSA-N 0 3 212.362 3.147 20 0 BGADHN Cc1csc([C@@H](C)N[C@H](C)C(C)C)n1 ZINC000070634143 343336330 /nfs/dbraw/zinc/33/63/30/343336330.db2.gz BBYFOTWUCFWPJQ-NXEZZACHSA-N 0 3 212.362 3.147 20 0 BGADHN Cc1csc([C@H](C)N[C@H](C)C(C)C)n1 ZINC000070634144 350557330 /nfs/dbraw/zinc/55/73/30/350557330.db2.gz BBYFOTWUCFWPJQ-ZJUUUORDSA-N 0 3 212.362 3.147 20 0 BGADHN CCC[C@@H](C)N[C@@H](C)c1nc(C)cs1 ZINC000070634147 343336675 /nfs/dbraw/zinc/33/66/75/343336675.db2.gz ZLQYHDHFBLLRSW-SCZZXKLOSA-N 0 3 212.362 3.291 20 0 BGADHN CCC[C@H](C)N[C@@H](C)c1nc(C)cs1 ZINC000070634148 343336860 /nfs/dbraw/zinc/33/68/60/343336860.db2.gz ZLQYHDHFBLLRSW-WPRPVWTQSA-N 0 3 212.362 3.291 20 0 BGADHN CCC[C@@H](C)N[C@H](C)c1nc(C)cs1 ZINC000070634149 343336887 /nfs/dbraw/zinc/33/68/87/343336887.db2.gz ZLQYHDHFBLLRSW-PSASIEDQSA-N 0 3 212.362 3.291 20 0 BGADHN CCC[C@H](C)N[C@H](C)c1nc(C)cs1 ZINC000070634150 343336885 /nfs/dbraw/zinc/33/68/85/343336885.db2.gz ZLQYHDHFBLLRSW-WCBMZHEXSA-N 0 3 212.362 3.291 20 0 BGADHN Cc1csc([C@@H](C)NCC2CCCC2)n1 ZINC000070634159 343336862 /nfs/dbraw/zinc/33/68/62/343336862.db2.gz XCEWNDPRFFYKEV-SNVBAGLBSA-N 0 3 224.373 3.292 20 0 BGADHN Cc1csc([C@H](C)NCC2CCCC2)n1 ZINC000070634160 343336772 /nfs/dbraw/zinc/33/67/72/343336772.db2.gz XCEWNDPRFFYKEV-JTQLQIEISA-N 0 3 224.373 3.292 20 0 BGADHN Cc1csc([C@@H](C)N[C@@H](C)C2(C)CC2)n1 ZINC000070634187 643052590 /nfs/dbraw/zinc/05/25/90/643052590.db2.gz MTTHFXSNRHHRBQ-ZJUUUORDSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1csc([C@H](C)N[C@@H](C)C2(C)CC2)n1 ZINC000070634188 643052860 /nfs/dbraw/zinc/05/28/60/643052860.db2.gz MTTHFXSNRHHRBQ-UWVGGRQHSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1csc([C@@H](C)N[C@H](C)C2(C)CC2)n1 ZINC000070634189 643052180 /nfs/dbraw/zinc/05/21/80/643052180.db2.gz MTTHFXSNRHHRBQ-NXEZZACHSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1csc([C@H](C)N[C@H](C)C2(C)CC2)n1 ZINC000070634190 643052152 /nfs/dbraw/zinc/05/21/52/643052152.db2.gz MTTHFXSNRHHRBQ-VHSXEESVSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1csc([C@@H](C)NCCC(C)C)n1 ZINC000070634199 343336681 /nfs/dbraw/zinc/33/66/81/343336681.db2.gz WIDSKIQSDBOMLQ-SNVBAGLBSA-N 0 3 212.362 3.148 20 0 BGADHN Cc1csc([C@H](C)NCCC(C)C)n1 ZINC000070634200 343336825 /nfs/dbraw/zinc/33/68/25/343336825.db2.gz WIDSKIQSDBOMLQ-JTQLQIEISA-N 0 3 212.362 3.148 20 0 BGADHN Cc1csc([C@@H](C)NC2CCCCC2)n1 ZINC000070634201 343336837 /nfs/dbraw/zinc/33/68/37/343336837.db2.gz PMEGDFQLPIODMT-SNVBAGLBSA-N 0 3 224.373 3.435 20 0 BGADHN Cc1csc([C@H](C)NC2CCCCC2)n1 ZINC000070634202 343336562 /nfs/dbraw/zinc/33/65/62/343336562.db2.gz PMEGDFQLPIODMT-JTQLQIEISA-N 0 3 224.373 3.435 20 0 BGADHN CC[C@@H](C)CN[C@@H](C)c1nc(C)cs1 ZINC000070634211 343336639 /nfs/dbraw/zinc/33/66/39/343336639.db2.gz MEPQPOGTABHWKK-SCZZXKLOSA-N 0 3 212.362 3.148 20 0 BGADHN CC[C@H](C)CN[C@@H](C)c1nc(C)cs1 ZINC000070634212 343336744 /nfs/dbraw/zinc/33/67/44/343336744.db2.gz MEPQPOGTABHWKK-WPRPVWTQSA-N 0 3 212.362 3.148 20 0 BGADHN CC[C@@H](C)CN[C@H](C)c1nc(C)cs1 ZINC000070634213 343336872 /nfs/dbraw/zinc/33/68/72/343336872.db2.gz MEPQPOGTABHWKK-PSASIEDQSA-N 0 3 212.362 3.148 20 0 BGADHN CC[C@H](C)CN[C@H](C)c1nc(C)cs1 ZINC000070634214 343336806 /nfs/dbraw/zinc/33/68/06/343336806.db2.gz MEPQPOGTABHWKK-WCBMZHEXSA-N 0 3 212.362 3.148 20 0 BGADHN CCC(CC)N[C@@H](C)c1nc(C)cs1 ZINC000070634219 343336698 /nfs/dbraw/zinc/33/66/98/343336698.db2.gz SIBCXYURTBSKBP-VIFPVBQESA-N 0 3 212.362 3.291 20 0 BGADHN CCC(CC)N[C@H](C)c1nc(C)cs1 ZINC000070634220 535083324 /nfs/dbraw/zinc/08/33/24/535083324.db2.gz SIBCXYURTBSKBP-SECBINFHSA-N 0 3 212.362 3.291 20 0 BGADHN CCCCCN[C@@H](C)c1nc(C)cs1 ZINC000070634221 350557322 /nfs/dbraw/zinc/55/73/22/350557322.db2.gz LPYVEGMMEQBTPG-JTQLQIEISA-N 0 3 212.362 3.292 20 0 BGADHN CCCCCN[C@H](C)c1nc(C)cs1 ZINC000070634222 343336648 /nfs/dbraw/zinc/33/66/48/343336648.db2.gz LPYVEGMMEQBTPG-SNVBAGLBSA-N 0 3 212.362 3.292 20 0 BGADHN Cc1csc([C@@H](C)NC2CCCC2)n1 ZINC000070634223 179793613 /nfs/dbraw/zinc/79/36/13/179793613.db2.gz VRNSLPFXZJGOGF-SECBINFHSA-N 0 3 210.346 3.045 20 0 BGADHN Cc1csc([C@H](C)NC2CCCC2)n1 ZINC000070634224 387071714 /nfs/dbraw/zinc/07/17/14/387071714.db2.gz VRNSLPFXZJGOGF-VIFPVBQESA-N 0 3 210.346 3.045 20 0 BGADHN CC[C@H](N[C@@H]1CC[C@H](C)C1)c1nccs1 ZINC000070644290 535940541 /nfs/dbraw/zinc/94/05/41/535940541.db2.gz MGZQZTPXSPINSS-AXFHLTTASA-N 0 3 224.373 3.372 20 0 BGADHN CC[C@H](N[C@H]1CC[C@H](C)C1)c1nccs1 ZINC000070644292 135002576 /nfs/dbraw/zinc/00/25/76/135002576.db2.gz MGZQZTPXSPINSS-DCAQKATOSA-N 0 3 224.373 3.372 20 0 BGADHN CC[C@@H]1CC[C@H](N[C@@H](C)c2nccs2)C1 ZINC000070644294 325020120 /nfs/dbraw/zinc/02/01/20/325020120.db2.gz BOGDGBNCZLHUFM-AXFHLTTASA-N 0 3 224.373 3.372 20 0 BGADHN CC[C@@H]1CC[C@@H](N[C@@H](C)c2nccs2)C1 ZINC000070644296 325019995 /nfs/dbraw/zinc/01/99/95/325019995.db2.gz BOGDGBNCZLHUFM-HBNTYKKESA-N 0 3 224.373 3.372 20 0 BGADHN Cc1csc([C@H](C)N[C@@H]2CC[C@H](C)C2)n1 ZINC000070644303 135003393 /nfs/dbraw/zinc/00/33/93/135003393.db2.gz JLTCLXQGSSGBAD-INTQDDNPSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1csc([C@H](C)N[C@H]2CC[C@H](C)C2)n1 ZINC000070644305 135002503 /nfs/dbraw/zinc/00/25/03/135002503.db2.gz JLTCLXQGSSGBAD-LSJOCFKGSA-N 0 3 224.373 3.291 20 0 BGADHN CC1(C)CCC(NCc2ccco2)CC1 ZINC000070653793 384129440 /nfs/dbraw/zinc/12/94/40/384129440.db2.gz NPGODUABKHQUAA-UHFFFAOYSA-N 0 3 207.317 3.338 20 0 BGADHN CC[C@@H](COC)N[C@@H](C)c1ccc(Cl)cc1 ZINC000070656244 325019467 /nfs/dbraw/zinc/01/94/67/325019467.db2.gz SHMRKCNHBCMTDJ-GWCFXTLKSA-N 0 3 241.762 3.416 20 0 BGADHN CC[C@H](COC)N[C@@H](C)c1ccc(Cl)cc1 ZINC000070656245 325019452 /nfs/dbraw/zinc/01/94/52/325019452.db2.gz SHMRKCNHBCMTDJ-GXFFZTMASA-N 0 3 241.762 3.416 20 0 BGADHN CC[C@@H](COC)N[C@H](C)c1ccc(Cl)cc1 ZINC000070656246 325019284 /nfs/dbraw/zinc/01/92/84/325019284.db2.gz SHMRKCNHBCMTDJ-MFKMUULPSA-N 0 3 241.762 3.416 20 0 BGADHN CC[C@H](COC)N[C@H](C)c1ccc(Cl)cc1 ZINC000070656247 325019447 /nfs/dbraw/zinc/01/94/47/325019447.db2.gz SHMRKCNHBCMTDJ-ZWNOBZJWSA-N 0 3 241.762 3.416 20 0 BGADHN CC[C@@H](COC)N[C@@H](C)c1ccccc1Cl ZINC000070656258 325019724 /nfs/dbraw/zinc/01/97/24/325019724.db2.gz CVFMAALVWAMCDL-QWRGUYRKSA-N 0 3 241.762 3.416 20 0 BGADHN CC[C@H](COC)N[C@@H](C)c1ccccc1Cl ZINC000070656259 325019294 /nfs/dbraw/zinc/01/92/94/325019294.db2.gz CVFMAALVWAMCDL-WDEREUQCSA-N 0 3 241.762 3.416 20 0 BGADHN CC[C@@H](COC)N[C@H](C)c1ccccc1Cl ZINC000070656260 325019297 /nfs/dbraw/zinc/01/92/97/325019297.db2.gz CVFMAALVWAMCDL-MNOVXSKESA-N 0 3 241.762 3.416 20 0 BGADHN CC[C@H](COC)N[C@H](C)c1ccccc1Cl ZINC000070656261 325019316 /nfs/dbraw/zinc/01/93/16/325019316.db2.gz CVFMAALVWAMCDL-GHMZBOCLSA-N 0 3 241.762 3.416 20 0 BGADHN CC[C@@H](COC)N[C@@H](C)c1cccc(Cl)c1 ZINC000070656262 325019320 /nfs/dbraw/zinc/01/93/20/325019320.db2.gz XFXOSJSAEFDFPG-GWCFXTLKSA-N 0 3 241.762 3.416 20 0 BGADHN CC[C@H](COC)N[C@@H](C)c1cccc(Cl)c1 ZINC000070656263 325019358 /nfs/dbraw/zinc/01/93/58/325019358.db2.gz XFXOSJSAEFDFPG-GXFFZTMASA-N 0 3 241.762 3.416 20 0 BGADHN CC[C@@H](COC)N[C@H](C)c1cccc(Cl)c1 ZINC000070656264 325019482 /nfs/dbraw/zinc/01/94/82/325019482.db2.gz XFXOSJSAEFDFPG-MFKMUULPSA-N 0 3 241.762 3.416 20 0 BGADHN CC[C@H](COC)N[C@H](C)c1cccc(Cl)c1 ZINC000070656265 325019710 /nfs/dbraw/zinc/01/97/10/325019710.db2.gz XFXOSJSAEFDFPG-ZWNOBZJWSA-N 0 3 241.762 3.416 20 0 BGADHN CC[C@@H](COC)N[C@@H](C)c1ccc(Cl)s1 ZINC000070656512 383952139 /nfs/dbraw/zinc/95/21/39/383952139.db2.gz ZUTOTRBKFPJZRZ-IUCAKERBSA-N 0 3 247.791 3.477 20 0 BGADHN CC[C@H](COC)N[C@@H](C)c1ccc(Cl)s1 ZINC000070656513 383952221 /nfs/dbraw/zinc/95/22/21/383952221.db2.gz ZUTOTRBKFPJZRZ-DTWKUNHWSA-N 0 3 247.791 3.477 20 0 BGADHN CC[C@@H](COC)N[C@H](C)c1ccc(Cl)s1 ZINC000070656514 383951041 /nfs/dbraw/zinc/95/10/41/383951041.db2.gz ZUTOTRBKFPJZRZ-BDAKNGLRSA-N 0 3 247.791 3.477 20 0 BGADHN CC[C@H](COC)N[C@H](C)c1ccc(Cl)s1 ZINC000070656515 383952699 /nfs/dbraw/zinc/95/26/99/383952699.db2.gz ZUTOTRBKFPJZRZ-RKDXNWHRSA-N 0 3 247.791 3.477 20 0 BGADHN CC1(C)CCC[C@H](NCc2ccco2)C1 ZINC000070682497 487796781 /nfs/dbraw/zinc/79/67/81/487796781.db2.gz DMMLZHBKKWUPCB-NSHDSACASA-N 0 3 207.317 3.338 20 0 BGADHN CC1(C)CCC[C@@H](NCc2ccco2)C1 ZINC000070682499 487796622 /nfs/dbraw/zinc/79/66/22/487796622.db2.gz DMMLZHBKKWUPCB-LLVKDONJSA-N 0 3 207.317 3.338 20 0 BGADHN CC(C)CN1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000070696056 359061455 /nfs/dbraw/zinc/06/14/55/359061455.db2.gz YXMRHUUSOIMLFW-UKRRQHHQSA-N 0 3 233.355 3.104 20 0 BGADHN CC(C)CN1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000070696057 359061723 /nfs/dbraw/zinc/06/17/23/359061723.db2.gz YXMRHUUSOIMLFW-DZGCQCFKSA-N 0 3 233.355 3.104 20 0 BGADHN Cc1ccc(C[C@@H](C)NCc2ccco2)s1 ZINC000070716090 384133784 /nfs/dbraw/zinc/13/37/84/384133784.db2.gz GOSOQOHNKCXFAP-SNVBAGLBSA-N 0 3 235.352 3.370 20 0 BGADHN Cc1ccc(C[C@H](C)NCc2ccco2)s1 ZINC000070716091 384135151 /nfs/dbraw/zinc/13/51/51/384135151.db2.gz GOSOQOHNKCXFAP-JTQLQIEISA-N 0 3 235.352 3.370 20 0 BGADHN CC[C@H](NC1CCSCC1)c1nccs1 ZINC000070717234 135011110 /nfs/dbraw/zinc/01/11/10/135011110.db2.gz KLGAIJKWCRRCLA-JTQLQIEISA-N 0 3 242.413 3.079 20 0 BGADHN CC[C@@H](NC1CCSCC1)c1nccs1 ZINC000070717235 135011090 /nfs/dbraw/zinc/01/10/90/135011090.db2.gz KLGAIJKWCRRCLA-SNVBAGLBSA-N 0 3 242.413 3.079 20 0 BGADHN CC[C@H](N[C@@H]1CCCSC1)c1nccs1 ZINC000070717538 535934870 /nfs/dbraw/zinc/93/48/70/535934870.db2.gz MJTWZTUZWMSWTD-ZJUUUORDSA-N 0 3 242.413 3.079 20 0 BGADHN CC[C@@H](N[C@@H]1CCCSC1)c1nccs1 ZINC000070717540 535808341 /nfs/dbraw/zinc/80/83/41/535808341.db2.gz MJTWZTUZWMSWTD-NXEZZACHSA-N 0 3 242.413 3.079 20 0 BGADHN CC[C@H](N[C@H]1CCCSC1)c1nccs1 ZINC000070717542 343340224 /nfs/dbraw/zinc/34/02/24/343340224.db2.gz MJTWZTUZWMSWTD-UWVGGRQHSA-N 0 3 242.413 3.079 20 0 BGADHN CC[C@@H](N[C@H]1CCCSC1)c1nccs1 ZINC000070717544 343340391 /nfs/dbraw/zinc/34/03/91/343340391.db2.gz MJTWZTUZWMSWTD-VHSXEESVSA-N 0 3 242.413 3.079 20 0 BGADHN C[C@H](NCCc1ccccc1)c1nccs1 ZINC000070732224 384133936 /nfs/dbraw/zinc/13/39/36/384133936.db2.gz CCVTVAOVMOXNOP-NSHDSACASA-N 0 3 232.352 3.036 20 0 BGADHN C[C@@H](NCCc1ccccc1)c1nccs1 ZINC000070732225 384134275 /nfs/dbraw/zinc/13/42/75/384134275.db2.gz CCVTVAOVMOXNOP-LLVKDONJSA-N 0 3 232.352 3.036 20 0 BGADHN Cc1csc([C@@H](C)NC(C2CC2)C2CC2)n1 ZINC000070732536 361744063 /nfs/dbraw/zinc/74/40/63/361744063.db2.gz AHBFYPWKXLNOCR-SECBINFHSA-N 0 3 236.384 3.291 20 0 BGADHN Cc1csc([C@H](C)NC(C2CC2)C2CC2)n1 ZINC000070732537 361744446 /nfs/dbraw/zinc/74/44/46/361744446.db2.gz AHBFYPWKXLNOCR-VIFPVBQESA-N 0 3 236.384 3.291 20 0 BGADHN Cc1csc([C@@H](C)NC[C@H]2CC=CCC2)n1 ZINC000070732550 135010111 /nfs/dbraw/zinc/01/01/11/135010111.db2.gz UNIQBGGFRCMUKV-NEPJUHHUSA-N 0 3 236.384 3.458 20 0 BGADHN Cc1csc([C@H](C)NC[C@H]2CC=CCC2)n1 ZINC000070732551 135010254 /nfs/dbraw/zinc/01/02/54/135010254.db2.gz UNIQBGGFRCMUKV-RYUDHWBXSA-N 0 3 236.384 3.458 20 0 BGADHN Cc1csc([C@@H](C)NC[C@@H]2CC=CCC2)n1 ZINC000070732552 135010266 /nfs/dbraw/zinc/01/02/66/135010266.db2.gz UNIQBGGFRCMUKV-VXGBXAGGSA-N 0 3 236.384 3.458 20 0 BGADHN Cc1csc([C@H](C)NC[C@@H]2CC=CCC2)n1 ZINC000070732553 135010236 /nfs/dbraw/zinc/01/02/36/135010236.db2.gz UNIQBGGFRCMUKV-NWDGAFQWSA-N 0 3 236.384 3.458 20 0 BGADHN C[C@H](NCCc1cccs1)c1nccs1 ZINC000070733120 383962711 /nfs/dbraw/zinc/96/27/11/383962711.db2.gz BOBGRSKMRXVYEC-VIFPVBQESA-N 0 3 238.381 3.098 20 0 BGADHN C[C@@H](NCCc1cccs1)c1nccs1 ZINC000070733121 383962349 /nfs/dbraw/zinc/96/23/49/383962349.db2.gz BOBGRSKMRXVYEC-SECBINFHSA-N 0 3 238.381 3.098 20 0 BGADHN C[C@H](NCCc1ccsc1)c1nccs1 ZINC000070733176 176855010 /nfs/dbraw/zinc/85/50/10/176855010.db2.gz KLGWATDAIKLIPC-VIFPVBQESA-N 0 3 238.381 3.098 20 0 BGADHN C[C@@H](NCCc1ccsc1)c1nccs1 ZINC000070733177 383961241 /nfs/dbraw/zinc/96/12/41/383961241.db2.gz KLGWATDAIKLIPC-SECBINFHSA-N 0 3 238.381 3.098 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H]2CC[C@H](C)C2)o1 ZINC000070761034 383961784 /nfs/dbraw/zinc/96/17/84/383961784.db2.gz CGGZQZSVEIWVBK-ZMLRMANQSA-N 0 3 207.317 3.427 20 0 BGADHN Cc1ccc([C@H](C)N[C@H]2CC[C@H](C)C2)o1 ZINC000070761036 383962778 /nfs/dbraw/zinc/96/27/78/383962778.db2.gz CGGZQZSVEIWVBK-DLOVCJGASA-N 0 3 207.317 3.427 20 0 BGADHN C[C@@H]1CC[C@H](NCc2ccc(F)cc2F)C1 ZINC000070762432 135012701 /nfs/dbraw/zinc/01/27/01/135012701.db2.gz LJBGBKSGJMEQKR-SKDRFNHKSA-N 0 3 225.282 3.243 20 0 BGADHN C[C@H]1CC[C@H](NCc2ccc(F)cc2F)C1 ZINC000070762434 135012655 /nfs/dbraw/zinc/01/26/55/135012655.db2.gz LJBGBKSGJMEQKR-CABZTGNLSA-N 0 3 225.282 3.243 20 0 BGADHN C[C@@H]1CC[C@@H](NCc2ccc(F)cc2F)C1 ZINC000070762437 135012600 /nfs/dbraw/zinc/01/26/00/135012600.db2.gz LJBGBKSGJMEQKR-BXKDBHETSA-N 0 3 225.282 3.243 20 0 BGADHN C[C@H]1CC[C@@H](NCc2ccc(F)cc2F)C1 ZINC000070762440 135013351 /nfs/dbraw/zinc/01/33/51/135013351.db2.gz LJBGBKSGJMEQKR-JOYOIKCWSA-N 0 3 225.282 3.243 20 0 BGADHN C[C@@H]1CC[C@H](NCc2cc(F)ccc2F)C1 ZINC000070762794 359062635 /nfs/dbraw/zinc/06/26/35/359062635.db2.gz VGVGVYYFAKTETI-SKDRFNHKSA-N 0 3 225.282 3.243 20 0 BGADHN C[C@H]1CC[C@H](NCc2cc(F)ccc2F)C1 ZINC000070762797 359063128 /nfs/dbraw/zinc/06/31/28/359063128.db2.gz VGVGVYYFAKTETI-CABZTGNLSA-N 0 3 225.282 3.243 20 0 BGADHN C[C@@H]1CC[C@@H](NCc2cc(F)ccc2F)C1 ZINC000070762799 359063242 /nfs/dbraw/zinc/06/32/42/359063242.db2.gz VGVGVYYFAKTETI-BXKDBHETSA-N 0 3 225.282 3.243 20 0 BGADHN C[C@H]1CC[C@@H](NCc2cc(F)ccc2F)C1 ZINC000070762802 359063411 /nfs/dbraw/zinc/06/34/11/359063411.db2.gz VGVGVYYFAKTETI-JOYOIKCWSA-N 0 3 225.282 3.243 20 0 BGADHN C[C@@H]1CCC[C@@H]1NCc1ccc(F)cc1F ZINC000070825672 176132286 /nfs/dbraw/zinc/13/22/86/176132286.db2.gz YOSRQGCHFPIBNG-RNCFNFMXSA-N 0 3 225.282 3.243 20 0 BGADHN C[C@H]1CCC[C@@H]1NCc1ccc(F)cc1F ZINC000070825676 177126362 /nfs/dbraw/zinc/12/63/62/177126362.db2.gz YOSRQGCHFPIBNG-ZANVPECISA-N 0 3 225.282 3.243 20 0 BGADHN C[C@@H]1CCC[C@H]1NCc1ccc(F)cc1F ZINC000070825681 176150379 /nfs/dbraw/zinc/15/03/79/176150379.db2.gz YOSRQGCHFPIBNG-NOZJJQNGSA-N 0 3 225.282 3.243 20 0 BGADHN C[C@H]1CCC[C@H]1NCc1ccc(F)cc1F ZINC000070825684 177142876 /nfs/dbraw/zinc/14/28/76/177142876.db2.gz YOSRQGCHFPIBNG-TVQRCGJNSA-N 0 3 225.282 3.243 20 0 BGADHN C[C@@H]1CCC[C@@H]1NCc1cc(F)ccc1F ZINC000070827333 176132316 /nfs/dbraw/zinc/13/23/16/176132316.db2.gz FOFTUQOTNONWSM-RNCFNFMXSA-N 0 3 225.282 3.243 20 0 BGADHN C[C@H]1CCC[C@@H]1NCc1cc(F)ccc1F ZINC000070827337 177127170 /nfs/dbraw/zinc/12/71/70/177127170.db2.gz FOFTUQOTNONWSM-ZANVPECISA-N 0 3 225.282 3.243 20 0 BGADHN C[C@@H]1CCC[C@H]1NCc1cc(F)ccc1F ZINC000070827340 176150815 /nfs/dbraw/zinc/15/08/15/176150815.db2.gz FOFTUQOTNONWSM-NOZJJQNGSA-N 0 3 225.282 3.243 20 0 BGADHN C[C@@H]1CCC[C@@H]1NCc1ccc(Cl)o1 ZINC000070827376 135013251 /nfs/dbraw/zinc/01/32/51/135013251.db2.gz GQIZOXWOCTXNQB-SCZZXKLOSA-N 0 3 213.708 3.211 20 0 BGADHN C[C@H]1CCC[C@@H]1NCc1ccc(Cl)o1 ZINC000070827378 135013231 /nfs/dbraw/zinc/01/32/31/135013231.db2.gz GQIZOXWOCTXNQB-WPRPVWTQSA-N 0 3 213.708 3.211 20 0 BGADHN C[C@@H]1CCC[C@H]1NCc1ccc(Cl)o1 ZINC000070827391 374191974 /nfs/dbraw/zinc/19/19/74/374191974.db2.gz GQIZOXWOCTXNQB-PSASIEDQSA-N 0 3 213.708 3.211 20 0 BGADHN C[C@H]1CCC[C@H]1NCc1ccc(Cl)o1 ZINC000070827395 374192180 /nfs/dbraw/zinc/19/21/80/374192180.db2.gz GQIZOXWOCTXNQB-WCBMZHEXSA-N 0 3 213.708 3.211 20 0 BGADHN Cc1nc([C@H](C)N[C@@H]2CCC[C@@H]2C)cs1 ZINC000070827594 180051465 /nfs/dbraw/zinc/05/14/65/180051465.db2.gz WZJRJYLZJUWINB-ATZCPNFKSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1nc([C@H](C)N[C@H]2CCC[C@@H]2C)cs1 ZINC000070827597 180051771 /nfs/dbraw/zinc/05/17/71/180051771.db2.gz WZJRJYLZJUWINB-QXEWZRGKSA-N 0 3 224.373 3.291 20 0 BGADHN C[C@@H]1CCC[C@@H]1NCc1cccc(F)c1F ZINC000070831563 325035910 /nfs/dbraw/zinc/03/59/10/325035910.db2.gz FVVYYDZDJVCSBH-SKDRFNHKSA-N 0 3 225.282 3.243 20 0 BGADHN C[C@H]1CCC[C@@H]1NCc1cccc(F)c1F ZINC000070831566 325035751 /nfs/dbraw/zinc/03/57/51/325035751.db2.gz FVVYYDZDJVCSBH-CABZTGNLSA-N 0 3 225.282 3.243 20 0 BGADHN C[C@@H]1CCC[C@H]1NCc1cccc(F)c1F ZINC000070831572 325036321 /nfs/dbraw/zinc/03/63/21/325036321.db2.gz FVVYYDZDJVCSBH-BXKDBHETSA-N 0 3 225.282 3.243 20 0 BGADHN C[C@H]1CCC[C@H]1NCc1cccc(F)c1F ZINC000070831577 325036441 /nfs/dbraw/zinc/03/64/41/325036441.db2.gz FVVYYDZDJVCSBH-JOYOIKCWSA-N 0 3 225.282 3.243 20 0 BGADHN Cc1ncsc1CNCc1ccccc1C ZINC000070836426 179283054 /nfs/dbraw/zinc/28/30/54/179283054.db2.gz PAXHACBOZHEJDM-UHFFFAOYSA-N 0 3 232.352 3.050 20 0 BGADHN Cc1ncsc1CNCc1ccc(C)cc1 ZINC000070836428 398139812 /nfs/dbraw/zinc/13/98/12/398139812.db2.gz IOFKLONQBUUSLA-UHFFFAOYSA-N 0 3 232.352 3.050 20 0 BGADHN Cc1ncsc1CNCc1cccc(C)c1 ZINC000070836430 179095349 /nfs/dbraw/zinc/09/53/49/179095349.db2.gz GCYKOWWHPNJEDB-UHFFFAOYSA-N 0 3 232.352 3.050 20 0 BGADHN Cc1ccsc1CNCc1scnc1C ZINC000070836486 383955296 /nfs/dbraw/zinc/95/52/96/383955296.db2.gz LIKMYWWZZTXGIC-UHFFFAOYSA-N 0 3 238.381 3.111 20 0 BGADHN Cc1ncsc1CN[C@@H](C)c1cccs1 ZINC000070836528 180322491 /nfs/dbraw/zinc/32/24/91/180322491.db2.gz LBYZKUGSWRFWFL-QMMMGPOBSA-N 0 3 238.381 3.364 20 0 BGADHN Cc1ncsc1CN[C@H](C)c1cccs1 ZINC000070836531 180322617 /nfs/dbraw/zinc/32/26/17/180322617.db2.gz LBYZKUGSWRFWFL-MRVPVSSYSA-N 0 3 238.381 3.364 20 0 BGADHN Cc1ncsc1CN[C@@H](C)c1ccccc1 ZINC000070836562 180322367 /nfs/dbraw/zinc/32/23/67/180322367.db2.gz JRLOFDDFRJLTDM-JTQLQIEISA-N 0 3 232.352 3.302 20 0 BGADHN Cc1ncsc1CN[C@H](C)c1ccccc1 ZINC000070836565 180321920 /nfs/dbraw/zinc/32/19/20/180321920.db2.gz JRLOFDDFRJLTDM-SNVBAGLBSA-N 0 3 232.352 3.302 20 0 BGADHN Cc1ccc(CNCc2scnc2C)s1 ZINC000070836630 383953363 /nfs/dbraw/zinc/95/33/63/383953363.db2.gz CAWAKLMFCRVLPC-UHFFFAOYSA-N 0 3 238.381 3.111 20 0 BGADHN CCCN[C@@H](C)c1csc(C(C)C)n1 ZINC000070841728 169277528 /nfs/dbraw/zinc/27/75/28/169277528.db2.gz DUCYUYLCHPVMLT-VIFPVBQESA-N 0 3 212.362 3.327 20 0 BGADHN CCCN[C@H](C)c1csc(C(C)C)n1 ZINC000070841735 169288427 /nfs/dbraw/zinc/28/84/27/169288427.db2.gz DUCYUYLCHPVMLT-SECBINFHSA-N 0 3 212.362 3.327 20 0 BGADHN Cc1cccnc1CN[C@@H](C)CCC(C)C ZINC000070908069 179382017 /nfs/dbraw/zinc/38/20/17/179382017.db2.gz CFEPTRCKBAGMLN-ZDUSSCGKSA-N 0 3 220.360 3.304 20 0 BGADHN Cc1cccnc1CN[C@H](C)CCC(C)C ZINC000070908073 179384527 /nfs/dbraw/zinc/38/45/27/179384527.db2.gz CFEPTRCKBAGMLN-CYBMUJFWSA-N 0 3 220.360 3.304 20 0 BGADHN CCCCC[C@@H](C)NCc1ncccc1C ZINC000070908087 384140933 /nfs/dbraw/zinc/14/09/33/384140933.db2.gz SOEADUKQHKKREU-CYBMUJFWSA-N 0 3 220.360 3.448 20 0 BGADHN CCCCC[C@H](C)NCc1ncccc1C ZINC000070908089 168744385 /nfs/dbraw/zinc/74/43/85/168744385.db2.gz SOEADUKQHKKREU-ZDUSSCGKSA-N 0 3 220.360 3.448 20 0 BGADHN CCCC[C@@H](C)NCc1ncccc1C ZINC000070908258 343339275 /nfs/dbraw/zinc/33/92/75/343339275.db2.gz UEDYZSCJEFDVDU-GFCCVEGCSA-N 0 3 206.333 3.058 20 0 BGADHN CCCC[C@H](C)NCc1ncccc1C ZINC000070908261 343338997 /nfs/dbraw/zinc/33/89/97/343338997.db2.gz UEDYZSCJEFDVDU-LBPRGKRZSA-N 0 3 206.333 3.058 20 0 BGADHN CC(C)=CCN1CCc2ccccc2C1 ZINC000070920982 187233989 /nfs/dbraw/zinc/23/39/89/187233989.db2.gz ZISRGYNZTXGHQP-UHFFFAOYSA-N 0 3 201.313 3.011 20 0 BGADHN CC(C)(C)C1CCC(NCc2ncc[nH]2)CC1 ZINC000070939280 343574579 /nfs/dbraw/zinc/57/45/79/343574579.db2.gz JZSROCFQFQYGQC-UHFFFAOYSA-N 0 3 235.375 3.104 20 0 BGADHN CCN(CCC(F)(F)F)Cc1ccccc1 ZINC000070944127 398141606 /nfs/dbraw/zinc/14/16/06/398141606.db2.gz SMRZARGDPVXERY-UHFFFAOYSA-N 0 3 231.261 3.461 20 0 BGADHN CCCCN(CC)CC(=O)Nc1ccc(C)cc1 ZINC000070946364 325045683 /nfs/dbraw/zinc/04/56/83/325045683.db2.gz DAIMWRISEFYFIJ-UHFFFAOYSA-N 0 3 248.370 3.056 20 0 BGADHN CCCNCc1cc(C)ccc1OC(F)F ZINC000070954956 169265322 /nfs/dbraw/zinc/26/53/22/169265322.db2.gz XIIASSCRTXBREB-UHFFFAOYSA-N 0 3 229.270 3.096 20 0 BGADHN CC[C@H](N[C@@H]1CCOC1)c1cccc(Cl)c1 ZINC000070965753 171540713 /nfs/dbraw/zinc/54/07/13/171540713.db2.gz ZRWLXXBHLYABRH-OLZOCXBDSA-N 0 3 239.746 3.170 20 0 BGADHN CC[C@@H](N[C@@H]1CCOC1)c1cccc(Cl)c1 ZINC000070965758 343958345 /nfs/dbraw/zinc/95/83/45/343958345.db2.gz ZRWLXXBHLYABRH-CHWSQXEVSA-N 0 3 239.746 3.170 20 0 BGADHN CC[C@H](N[C@H]1CCOC1)c1cccc(Cl)c1 ZINC000070965762 384142858 /nfs/dbraw/zinc/14/28/58/384142858.db2.gz ZRWLXXBHLYABRH-STQMWFEESA-N 0 3 239.746 3.170 20 0 BGADHN CC[C@@H](N[C@H]1CCOC1)c1cccc(Cl)c1 ZINC000070965768 343958339 /nfs/dbraw/zinc/95/83/39/343958339.db2.gz ZRWLXXBHLYABRH-QWHCGFSZSA-N 0 3 239.746 3.170 20 0 BGADHN CC[C@H](N[C@@H]1CCOC1)c1ccc(Cl)cc1 ZINC000070966155 384144176 /nfs/dbraw/zinc/14/41/76/384144176.db2.gz LZKVURLPDKSMQK-OLZOCXBDSA-N 0 3 239.746 3.170 20 0 BGADHN CC[C@@H](N[C@@H]1CCOC1)c1ccc(Cl)cc1 ZINC000070966160 343958189 /nfs/dbraw/zinc/95/81/89/343958189.db2.gz LZKVURLPDKSMQK-CHWSQXEVSA-N 0 3 239.746 3.170 20 0 BGADHN CC[C@H](N[C@H]1CCOC1)c1ccc(Cl)cc1 ZINC000070966161 384144189 /nfs/dbraw/zinc/14/41/89/384144189.db2.gz LZKVURLPDKSMQK-STQMWFEESA-N 0 3 239.746 3.170 20 0 BGADHN CC[C@@H](N[C@H]1CCOC1)c1ccc(Cl)cc1 ZINC000070966168 343958376 /nfs/dbraw/zinc/95/83/76/343958376.db2.gz LZKVURLPDKSMQK-QWHCGFSZSA-N 0 3 239.746 3.170 20 0 BGADHN C#CC[N@H+](Cc1ccccc1[O-])C1CCCCC1 ZINC000070976991 643090081 /nfs/dbraw/zinc/09/00/81/643090081.db2.gz GFRJXCFLZOHIPT-UHFFFAOYSA-N 0 3 243.350 3.160 20 0 BGADHN C#CC[N@@H+](Cc1ccccc1[O-])C1CCCCC1 ZINC000070976991 643090071 /nfs/dbraw/zinc/09/00/71/643090071.db2.gz GFRJXCFLZOHIPT-UHFFFAOYSA-N 0 3 243.350 3.160 20 0 BGADHN CCN(C)Cc1ccc(C(F)(F)F)cc1 ZINC000070980463 343958417 /nfs/dbraw/zinc/95/84/17/343958417.db2.gz GSUXTWCQZSUZBA-UHFFFAOYSA-N 0 3 217.234 3.157 20 0 BGADHN CCN(C)Cc1ccc(Cl)c(Cl)c1 ZINC000070980744 368768620 /nfs/dbraw/zinc/76/86/20/368768620.db2.gz QWRZHVNPFVOMOI-UHFFFAOYSA-N 0 3 218.127 3.445 20 0 BGADHN COc1ccsc1CNCc1cccs1 ZINC000070993674 175378004 /nfs/dbraw/zinc/37/80/04/175378004.db2.gz NVJDMVARHMXOMF-UHFFFAOYSA-N 0 3 239.365 3.108 20 0 BGADHN C[C@H](N[C@@H]1CCCOC1)c1ccccc1Cl ZINC000071010669 384146191 /nfs/dbraw/zinc/14/61/91/384146191.db2.gz AKCPQSNGMMACFS-WDEREUQCSA-N 0 3 239.746 3.170 20 0 BGADHN C[C@@H](N[C@@H]1CCCOC1)c1ccccc1Cl ZINC000071010672 384144849 /nfs/dbraw/zinc/14/48/49/384144849.db2.gz AKCPQSNGMMACFS-GHMZBOCLSA-N 0 3 239.746 3.170 20 0 BGADHN C[C@H](N[C@H]1CCCOC1)c1ccccc1Cl ZINC000071010676 384145620 /nfs/dbraw/zinc/14/56/20/384145620.db2.gz AKCPQSNGMMACFS-QWRGUYRKSA-N 0 3 239.746 3.170 20 0 BGADHN C[C@@H](N[C@H]1CCCOC1)c1ccccc1Cl ZINC000071010680 384146013 /nfs/dbraw/zinc/14/60/13/384146013.db2.gz AKCPQSNGMMACFS-MNOVXSKESA-N 0 3 239.746 3.170 20 0 BGADHN C[C@H](N[C@@H]1CCCOC1)c1ccc(Cl)cc1 ZINC000071011218 384148026 /nfs/dbraw/zinc/14/80/26/384148026.db2.gz HJGANBAIPWNCHF-GXFFZTMASA-N 0 3 239.746 3.170 20 0 BGADHN C[C@@H](N[C@@H]1CCCOC1)c1ccc(Cl)cc1 ZINC000071011223 384148906 /nfs/dbraw/zinc/14/89/06/384148906.db2.gz HJGANBAIPWNCHF-ZWNOBZJWSA-N 0 3 239.746 3.170 20 0 BGADHN C[C@H](N[C@H]1CCCOC1)c1ccc(Cl)cc1 ZINC000071011227 384147649 /nfs/dbraw/zinc/14/76/49/384147649.db2.gz HJGANBAIPWNCHF-GWCFXTLKSA-N 0 3 239.746 3.170 20 0 BGADHN C[C@@H](N[C@H]1CCCOC1)c1ccc(Cl)cc1 ZINC000071011230 384148818 /nfs/dbraw/zinc/14/88/18/384148818.db2.gz HJGANBAIPWNCHF-MFKMUULPSA-N 0 3 239.746 3.170 20 0 BGADHN C[C@H](N[C@@H]1CCCOC1)c1cccc(Cl)c1 ZINC000071011262 384147399 /nfs/dbraw/zinc/14/73/99/384147399.db2.gz YBHGYAYTEZWQGI-GXFFZTMASA-N 0 3 239.746 3.170 20 0 BGADHN C[C@@H](N[C@@H]1CCCOC1)c1cccc(Cl)c1 ZINC000071011263 384147425 /nfs/dbraw/zinc/14/74/25/384147425.db2.gz YBHGYAYTEZWQGI-ZWNOBZJWSA-N 0 3 239.746 3.170 20 0 BGADHN C[C@H](N[C@H]1CCCOC1)c1cccc(Cl)c1 ZINC000071011268 384147534 /nfs/dbraw/zinc/14/75/34/384147534.db2.gz YBHGYAYTEZWQGI-GWCFXTLKSA-N 0 3 239.746 3.170 20 0 BGADHN C[C@@H](N[C@H]1CCCOC1)c1cccc(Cl)c1 ZINC000071011274 384148360 /nfs/dbraw/zinc/14/83/60/384148360.db2.gz YBHGYAYTEZWQGI-MFKMUULPSA-N 0 3 239.746 3.170 20 0 BGADHN Cc1cc([C@@H](C)N[C@@H]2CCCOC2)c(C)s1 ZINC000071011747 178231722 /nfs/dbraw/zinc/23/17/22/178231722.db2.gz DGOUMURRMZPJSD-ZYHUDNBSSA-N 0 3 239.384 3.195 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CCCOC2)c(C)s1 ZINC000071011748 178254086 /nfs/dbraw/zinc/25/40/86/178254086.db2.gz DGOUMURRMZPJSD-CMPLNLGQSA-N 0 3 239.384 3.195 20 0 BGADHN Cc1cc([C@@H](C)N[C@H]2CCCOC2)c(C)s1 ZINC000071011750 178232781 /nfs/dbraw/zinc/23/27/81/178232781.db2.gz DGOUMURRMZPJSD-PWSUYJOCSA-N 0 3 239.384 3.195 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2CCCOC2)c(C)s1 ZINC000071011752 178257998 /nfs/dbraw/zinc/25/79/98/178257998.db2.gz DGOUMURRMZPJSD-JQWIXIFHSA-N 0 3 239.384 3.195 20 0 BGADHN C[C@H](N[C@@H]1CCCOC1)c1ccc(Cl)s1 ZINC000071011968 383967070 /nfs/dbraw/zinc/96/70/70/383967070.db2.gz NWPNFFNYGOHHCC-DTWKUNHWSA-N 0 3 245.775 3.231 20 0 BGADHN C[C@@H](N[C@@H]1CCCOC1)c1ccc(Cl)s1 ZINC000071011970 383966983 /nfs/dbraw/zinc/96/69/83/383966983.db2.gz NWPNFFNYGOHHCC-RKDXNWHRSA-N 0 3 245.775 3.231 20 0 BGADHN C[C@H](N[C@H]1CCCOC1)c1ccc(Cl)s1 ZINC000071011971 383967462 /nfs/dbraw/zinc/96/74/62/383967462.db2.gz NWPNFFNYGOHHCC-IUCAKERBSA-N 0 3 245.775 3.231 20 0 BGADHN C[C@@H](N[C@H]1CCCOC1)c1ccc(Cl)s1 ZINC000071011973 383969312 /nfs/dbraw/zinc/96/93/12/383969312.db2.gz NWPNFFNYGOHHCC-BDAKNGLRSA-N 0 3 245.775 3.231 20 0 BGADHN CN(Cc1cccnc1)CC1CCCCC1 ZINC000071015087 351139519 /nfs/dbraw/zinc/13/95/19/351139519.db2.gz TVSQYCRDUYGPLZ-UHFFFAOYSA-N 0 3 218.344 3.094 20 0 BGADHN CC[C@@H]1CCC[C@H](NCc2cccnc2OC)C1 ZINC000071117611 359072694 /nfs/dbraw/zinc/07/26/94/359072694.db2.gz NFLWHYSUBXBWPM-OCCSQVGLSA-N 0 3 248.370 3.149 20 0 BGADHN CC[C@H]1CCC[C@H](NCc2cccnc2OC)C1 ZINC000071117614 536076763 /nfs/dbraw/zinc/07/67/63/536076763.db2.gz NFLWHYSUBXBWPM-JSGCOSHPSA-N 0 3 248.370 3.149 20 0 BGADHN CC[C@@H]1CCC[C@@H](NCc2cccnc2OC)C1 ZINC000071117618 359071826 /nfs/dbraw/zinc/07/18/26/359071826.db2.gz NFLWHYSUBXBWPM-TZMCWYRMSA-N 0 3 248.370 3.149 20 0 BGADHN CC[C@H]1CCC[C@@H](NCc2cccnc2OC)C1 ZINC000071117623 359072104 /nfs/dbraw/zinc/07/21/04/359072104.db2.gz NFLWHYSUBXBWPM-GXTWGEPZSA-N 0 3 248.370 3.149 20 0 BGADHN Cn1ccnc1CNC1CCC(C(C)(C)C)CC1 ZINC000071138724 387120683 /nfs/dbraw/zinc/12/06/83/387120683.db2.gz PDIFJVNZIMJYEK-UHFFFAOYSA-N 0 3 249.402 3.115 20 0 BGADHN Cc1ncsc1CNCc1ccc(C)cc1C ZINC000071212307 384154458 /nfs/dbraw/zinc/15/44/58/384154458.db2.gz RFAAPPQZHJGNOO-UHFFFAOYSA-N 0 3 246.379 3.358 20 0 BGADHN CCc1ccc(CNCc2scnc2C)cc1 ZINC000071212330 359073717 /nfs/dbraw/zinc/07/37/17/359073717.db2.gz IOZJXXRWMVHBDW-UHFFFAOYSA-N 0 3 246.379 3.304 20 0 BGADHN Cc1ncsc1CN[C@@H]1CCc2ccccc21 ZINC000071212471 180321392 /nfs/dbraw/zinc/32/13/92/180321392.db2.gz IZPCFGVNAJFBLL-CYBMUJFWSA-N 0 3 244.363 3.229 20 0 BGADHN Cc1ncsc1CN[C@H]1CCc2ccccc21 ZINC000071212472 180323959 /nfs/dbraw/zinc/32/39/59/180323959.db2.gz IZPCFGVNAJFBLL-ZDUSSCGKSA-N 0 3 244.363 3.229 20 0 BGADHN Cc1ncsc1CNCc1ccc(C)c(C)c1 ZINC000071212905 359074085 /nfs/dbraw/zinc/07/40/85/359074085.db2.gz MGAKNXIPMGTLOI-UHFFFAOYSA-N 0 3 246.379 3.358 20 0 BGADHN CCc1ccccc1CNCc1scnc1C ZINC000071212999 384153177 /nfs/dbraw/zinc/15/31/77/384153177.db2.gz SHCLQWKIZVVNQQ-UHFFFAOYSA-N 0 3 246.379 3.304 20 0 BGADHN Cc1ncsc1CNCc1cccc(C)c1C ZINC000071213060 136278836 /nfs/dbraw/zinc/27/88/36/136278836.db2.gz UJONKMYSAVRZPF-UHFFFAOYSA-N 0 3 246.379 3.358 20 0 BGADHN Cc1ncsc1CNCc1cc(C)ccc1C ZINC000071213065 359073449 /nfs/dbraw/zinc/07/34/49/359073449.db2.gz PBKXVFVRZMCSTF-UHFFFAOYSA-N 0 3 246.379 3.358 20 0 BGADHN Cc1ncsc1CNCc1cc(C)cc(C)c1 ZINC000071213068 359073365 /nfs/dbraw/zinc/07/33/65/359073365.db2.gz UHLDKQAMADPEPE-UHFFFAOYSA-N 0 3 246.379 3.358 20 0 BGADHN c1ccc(CN2CC3(C2)CCCC3)cc1 ZINC000071250960 183396009 /nfs/dbraw/zinc/39/60/09/183396009.db2.gz APCLBKSBPODKEM-UHFFFAOYSA-N 0 3 201.313 3.063 20 0 BGADHN CCCCCCNCc1nc2ccccc2o1 ZINC000071333040 643132018 /nfs/dbraw/zinc/13/20/18/643132018.db2.gz PHQNWJRXXUKHQQ-UHFFFAOYSA-N 0 3 232.327 3.498 20 0 BGADHN Cc1cccnc1CN[C@@H](C)CCc1ccco1 ZINC000071339632 179382344 /nfs/dbraw/zinc/38/23/44/179382344.db2.gz KKJOYSRTFCAUFX-ZDUSSCGKSA-N 0 3 244.338 3.094 20 0 BGADHN Cc1cccnc1CN[C@H](C)CCc1ccco1 ZINC000071339633 179384748 /nfs/dbraw/zinc/38/47/48/179384748.db2.gz KKJOYSRTFCAUFX-CYBMUJFWSA-N 0 3 244.338 3.094 20 0 BGADHN Cc1cccnc1CNC/C=C/c1ccccc1 ZINC000071340110 359076517 /nfs/dbraw/zinc/07/65/17/359076517.db2.gz IDANBYXTJYEQHH-UXBLZVDNSA-N 0 3 238.334 3.193 20 0 BGADHN CCNCc1cc(Cl)c(OC)cc1Cl ZINC000071543414 170125803 /nfs/dbraw/zinc/12/58/03/170125803.db2.gz SFDKHEDYRJZMRL-UHFFFAOYSA-N 0 3 234.126 3.112 20 0 BGADHN c1cc(CN2CCC[C@H]3CCCC[C@@H]32)ccn1 ZINC000071810579 183342259 /nfs/dbraw/zinc/34/22/59/183342259.db2.gz URYCFIKRMWRFRS-CABCVRRESA-N 0 3 230.355 3.236 20 0 BGADHN c1cc(CN2CCC[C@@H]3CCCC[C@@H]32)ccn1 ZINC000071810580 183341773 /nfs/dbraw/zinc/34/17/73/183341773.db2.gz URYCFIKRMWRFRS-GJZGRUSLSA-N 0 3 230.355 3.236 20 0 BGADHN CCCCNCc1coc(-c2ccccc2)n1 ZINC000072102301 643212127 /nfs/dbraw/zinc/21/21/27/643212127.db2.gz BFVIAOZXBVWSSB-UHFFFAOYSA-N 0 3 230.311 3.231 20 0 BGADHN c1csc(-c2nc(CNC3CCCC3)co2)c1 ZINC000072183831 643219640 /nfs/dbraw/zinc/21/96/40/643219640.db2.gz IWDIRNLZJRQXBY-UHFFFAOYSA-N 0 3 248.351 3.435 20 0 BGADHN Cc1ccc(CSCCN(C)C)cc1C ZINC000072261402 135032781 /nfs/dbraw/zinc/03/27/81/135032781.db2.gz AUDRVCDAVDXYHO-UHFFFAOYSA-N 0 3 223.385 3.098 20 0 BGADHN CN(C)CCSCc1ccccc1Cl ZINC000072261412 535919948 /nfs/dbraw/zinc/91/99/48/535919948.db2.gz RAKZINZUPGKRQD-UHFFFAOYSA-N 0 3 229.776 3.135 20 0 BGADHN CN(C)CCSCc1ccc(Cl)cc1 ZINC000072261422 385957856 /nfs/dbraw/zinc/95/78/56/385957856.db2.gz SFWGSPVAJBKRQG-UHFFFAOYSA-N 0 3 229.776 3.135 20 0 BGADHN CN(C)CCSCc1cccc(Cl)c1 ZINC000072261514 359086291 /nfs/dbraw/zinc/08/62/91/359086291.db2.gz WTQAHUINYWJKSY-UHFFFAOYSA-N 0 3 229.776 3.135 20 0 BGADHN CN(C)CCSCc1ccc(F)cc1Cl ZINC000072261562 351173086 /nfs/dbraw/zinc/17/30/86/351173086.db2.gz ZMRKBJIAZCDJQN-UHFFFAOYSA-N 0 3 247.766 3.274 20 0 BGADHN CN(C)CCSCc1ccc(Cl)cc1F ZINC000072264311 325132920 /nfs/dbraw/zinc/13/29/20/325132920.db2.gz YGYBZGQYSPPWNN-UHFFFAOYSA-N 0 3 247.766 3.274 20 0 BGADHN c1cc([C@@H]2CCCN2CC2CCCCC2)n[nH]1 ZINC000072348510 183360402 /nfs/dbraw/zinc/36/04/02/183360402.db2.gz GTQWNSYXVKKHPU-AWEZNQCLSA-N 0 3 233.359 3.127 20 0 BGADHN c1cc([C@H]2CCCN2CC2CCCCC2)n[nH]1 ZINC000072348511 187234024 /nfs/dbraw/zinc/23/40/24/187234024.db2.gz GTQWNSYXVKKHPU-CQSZACIVSA-N 0 3 233.359 3.127 20 0 BGADHN Cc1cccc([C@@H](C)N(C)C[C@@H]2CCCO2)c1 ZINC000072599903 179178691 /nfs/dbraw/zinc/17/86/91/179178691.db2.gz YTSFUFPQZBNVEW-HIFRSBDPSA-N 0 3 233.355 3.167 20 0 BGADHN Cc1cccc([C@H](C)N(C)C[C@@H]2CCCO2)c1 ZINC000072599906 179192753 /nfs/dbraw/zinc/19/27/53/179192753.db2.gz YTSFUFPQZBNVEW-ZFWWWQNUSA-N 0 3 233.355 3.167 20 0 BGADHN Cc1csc(C(C)(C)NCC2CCCC2)n1 ZINC000072663119 325163707 /nfs/dbraw/zinc/16/37/07/325163707.db2.gz IKTMHKJOKQNCLF-UHFFFAOYSA-N 0 3 238.400 3.466 20 0 BGADHN CCC[C@@H]1[C@H](C)CCCN1Cc1ncc(C)o1 ZINC000072775108 359089766 /nfs/dbraw/zinc/08/97/66/359089766.db2.gz ZSMNZZZGSQCMBI-DGCLKSJQSA-N 0 3 236.359 3.384 20 0 BGADHN CCC[C@H]1[C@H](C)CCCN1Cc1ncc(C)o1 ZINC000072775110 359090136 /nfs/dbraw/zinc/09/01/36/359090136.db2.gz ZSMNZZZGSQCMBI-YPMHNXCESA-N 0 3 236.359 3.384 20 0 BGADHN CCC[C@@H]1[C@@H](C)CCCN1Cc1ncc(C)o1 ZINC000072775111 359089945 /nfs/dbraw/zinc/08/99/45/359089945.db2.gz ZSMNZZZGSQCMBI-WCQYABFASA-N 0 3 236.359 3.384 20 0 BGADHN CCC[C@H]1[C@@H](C)CCCN1Cc1ncc(C)o1 ZINC000072775114 359089866 /nfs/dbraw/zinc/08/98/66/359089866.db2.gz ZSMNZZZGSQCMBI-AAEUAGOBSA-N 0 3 236.359 3.384 20 0 BGADHN Fc1ccccc1SCCN1CCCC1 ZINC000072790571 359090487 /nfs/dbraw/zinc/09/04/87/359090487.db2.gz ODHOBVJWEUHYJT-UHFFFAOYSA-N 0 3 225.332 3.014 20 0 BGADHN c1ccc2nc(CN3CCCCC3)ccc2c1 ZINC000072815792 368781200 /nfs/dbraw/zinc/78/12/00/368781200.db2.gz LNJBJQIICAHIHD-UHFFFAOYSA-N 0 3 226.323 3.221 20 0 BGADHN Cc1ccc2nc(CNC3CCCCC3)cn2c1 ZINC000072816102 368781186 /nfs/dbraw/zinc/78/11/86/368781186.db2.gz CNFXVDBRUOLULP-UHFFFAOYSA-N 0 3 243.354 3.065 20 0 BGADHN C[C@H]1CCCN(Cc2ccc3ccccc3n2)C1 ZINC000072816115 325176627 /nfs/dbraw/zinc/17/66/27/325176627.db2.gz VMPFDLCFTNSLQX-ZDUSSCGKSA-N 0 3 240.350 3.467 20 0 BGADHN c1oc(-c2ccccc2)nc1CNC1CCCC1 ZINC000072816791 643309238 /nfs/dbraw/zinc/30/92/38/643309238.db2.gz BQBJRCDDCCWXKM-UHFFFAOYSA-N 0 3 242.322 3.374 20 0 BGADHN Clc1ccc2nc(CNC3CCCC3)cn2c1 ZINC000072816792 398187556 /nfs/dbraw/zinc/18/75/56/398187556.db2.gz KMAYBMLZJWHALZ-UHFFFAOYSA-N 0 3 249.745 3.020 20 0 BGADHN Cc1ccc(NC(=O)CC(C)C)c(CN(C)C)c1 ZINC000072840316 368782786 /nfs/dbraw/zinc/78/27/86/368782786.db2.gz IYSVNWCYEQZCDB-UHFFFAOYSA-N 0 3 248.370 3.041 20 0 BGADHN CC[C@@H](C)C(=O)Nc1ccc(C)cc1CN(C)C ZINC000072840456 368782981 /nfs/dbraw/zinc/78/29/81/368782981.db2.gz KUQLGMJLICKTKQ-GFCCVEGCSA-N 0 3 248.370 3.041 20 0 BGADHN CC[C@H](C)C(=O)Nc1ccc(C)cc1CN(C)C ZINC000072840457 368782239 /nfs/dbraw/zinc/78/22/39/368782239.db2.gz KUQLGMJLICKTKQ-LBPRGKRZSA-N 0 3 248.370 3.041 20 0 BGADHN CCCCC(=O)Nc1ccc(C)cc1CN(C)C ZINC000072840757 351614740 /nfs/dbraw/zinc/61/47/40/351614740.db2.gz AIAPSFIEPCBMQF-UHFFFAOYSA-N 0 3 248.370 3.185 20 0 BGADHN CCC(C)(C)NCc1nc2ccccc2o1 ZINC000072862457 369497680 /nfs/dbraw/zinc/49/76/80/369497680.db2.gz CZAPYNQGINZYHX-UHFFFAOYSA-N 0 3 218.300 3.106 20 0 BGADHN Cc1nc(C(C)(C)NCC(C)C)sc1C ZINC000072865688 325178519 /nfs/dbraw/zinc/17/85/19/325178519.db2.gz RVUOIYUMDYXFFP-UHFFFAOYSA-N 0 3 226.389 3.241 20 0 BGADHN C[C@H]1CN(Cc2nc3ccccc3s2)C[C@H]1C ZINC000072872644 351687764 /nfs/dbraw/zinc/68/77/64/351687764.db2.gz CWAKYQHNTSHRHK-PHIMTYICSA-N 0 3 246.379 3.384 20 0 BGADHN C[C@H]1CN(Cc2nc3ccccc3s2)C[C@@H]1C ZINC000072872646 351687491 /nfs/dbraw/zinc/68/74/91/351687491.db2.gz CWAKYQHNTSHRHK-QWRGUYRKSA-N 0 3 246.379 3.384 20 0 BGADHN C[C@@H]1CN(Cc2nc3ccccc3s2)C[C@H]1C ZINC000072872648 351687527 /nfs/dbraw/zinc/68/75/27/351687527.db2.gz CWAKYQHNTSHRHK-GHMZBOCLSA-N 0 3 246.379 3.384 20 0 BGADHN CO[C@]1(C)C[C@@H](NCc2ccsc2)C1(C)C ZINC000072926350 325181264 /nfs/dbraw/zinc/18/12/64/325181264.db2.gz BXTPSODTMPZYNY-DGCLKSJQSA-N 0 3 239.384 3.041 20 0 BGADHN CO[C@]1(C)C[C@H](NCc2ccsc2)C1(C)C ZINC000072926351 325181385 /nfs/dbraw/zinc/18/13/85/325181385.db2.gz BXTPSODTMPZYNY-WCQYABFASA-N 0 3 239.384 3.041 20 0 BGADHN CO[C@@]1(C)C[C@@H](NCc2ccsc2)C1(C)C ZINC000072926352 325181585 /nfs/dbraw/zinc/18/15/85/325181585.db2.gz BXTPSODTMPZYNY-YPMHNXCESA-N 0 3 239.384 3.041 20 0 BGADHN CO[C@@]1(C)C[C@H](NCc2ccsc2)C1(C)C ZINC000072926353 325181421 /nfs/dbraw/zinc/18/14/21/325181421.db2.gz BXTPSODTMPZYNY-AAEUAGOBSA-N 0 3 239.384 3.041 20 0 BGADHN Cc1ccc(-c2nc(CNCC3CC3)co2)cc1 ZINC000072927036 643332454 /nfs/dbraw/zinc/33/24/54/643332454.db2.gz BWBBTVYAPAWRCY-UHFFFAOYSA-N 0 3 242.322 3.150 20 0 BGADHN CC(C)N(Cc1ccccc1)Cc1ccncc1 ZINC000072949402 368786415 /nfs/dbraw/zinc/78/64/15/368786415.db2.gz PZTSZOZQUVODSD-UHFFFAOYSA-N 0 3 240.350 3.492 20 0 BGADHN C[C@@H](c1ccccc1)N(C)Cc1cccnc1 ZINC000072957287 176020590 /nfs/dbraw/zinc/02/05/90/176020590.db2.gz GRENTCZHPKHCTC-ZDUSSCGKSA-N 0 3 226.323 3.275 20 0 BGADHN C[C@H](c1ccccc1)N(C)Cc1cccnc1 ZINC000072957291 177038619 /nfs/dbraw/zinc/03/86/19/177038619.db2.gz GRENTCZHPKHCTC-CYBMUJFWSA-N 0 3 226.323 3.275 20 0 BGADHN Cc1ccc(CNC[C@@H](C)Oc2ccccc2)o1 ZINC000073005924 490289805 /nfs/dbraw/zinc/28/98/05/490289805.db2.gz BKKWYKBXOLXSDF-CYBMUJFWSA-N 0 3 245.322 3.145 20 0 BGADHN Cc1ccc(CNC[C@H](C)Oc2ccccc2)o1 ZINC000073005926 490290182 /nfs/dbraw/zinc/29/01/82/490290182.db2.gz BKKWYKBXOLXSDF-ZDUSSCGKSA-N 0 3 245.322 3.145 20 0 BGADHN CCc1oc2ccccc2c1CN(C)CCOC ZINC000073022516 324076138 /nfs/dbraw/zinc/07/61/38/324076138.db2.gz LAFKGCSUSSTRLR-UHFFFAOYSA-N 0 3 247.338 3.073 20 0 BGADHN Fc1cc2cccnc2c(CN2CCCCC2)c1 ZINC000073602762 412061285 /nfs/dbraw/zinc/06/12/85/412061285.db2.gz SROLJMLNYKIZFH-UHFFFAOYSA-N 0 3 244.313 3.360 20 0 BGADHN CCN(CC)Cc1ccccc1OC(F)F ZINC000073604947 359104154 /nfs/dbraw/zinc/10/41/54/359104154.db2.gz ANKWVTGTFHOFGU-UHFFFAOYSA-N 0 3 229.270 3.130 20 0 BGADHN CC(=O)c1c(C)cc(C)c(CN(C)C2CC2)c1C ZINC000073617285 325206608 /nfs/dbraw/zinc/20/66/08/325206608.db2.gz TWEVXZPPVMVKRL-UHFFFAOYSA-N 0 3 245.366 3.409 20 0 BGADHN Cc1noc(C)c1CN(C)[C@@H]1CCC[C@H](C)C1 ZINC000073618632 325206655 /nfs/dbraw/zinc/20/66/55/325206655.db2.gz HQLGHOFTFWOJLK-GXFFZTMASA-N 0 3 236.359 3.302 20 0 BGADHN Cc1noc(C)c1CN(C)[C@H]1CCC[C@H](C)C1 ZINC000073618636 325206400 /nfs/dbraw/zinc/20/64/00/325206400.db2.gz HQLGHOFTFWOJLK-GWCFXTLKSA-N 0 3 236.359 3.302 20 0 BGADHN COCc1ccc(CNCc2ccsc2)cc1 ZINC000073651157 643772604 /nfs/dbraw/zinc/77/26/04/643772604.db2.gz XKWAEUSKDTUTSA-UHFFFAOYSA-N 0 3 247.363 3.184 20 0 BGADHN COCc1ccc(CNCc2cccs2)cc1 ZINC000073651174 643771502 /nfs/dbraw/zinc/77/15/02/643771502.db2.gz VFRWJLBTWGGWLG-UHFFFAOYSA-N 0 3 247.363 3.184 20 0 BGADHN C[C@@H](C1CC1)N(C)Cc1ccccc1F ZINC000073778908 368816129 /nfs/dbraw/zinc/81/61/29/368816129.db2.gz BESHJGAVCSDDEP-JTQLQIEISA-N 0 3 207.292 3.056 20 0 BGADHN C[C@H](C1CC1)N(C)Cc1ccccc1F ZINC000073778911 368816173 /nfs/dbraw/zinc/81/61/73/368816173.db2.gz BESHJGAVCSDDEP-SNVBAGLBSA-N 0 3 207.292 3.056 20 0 BGADHN COc1ccc(F)cc1CN(C)[C@H](C)C1CC1 ZINC000073779536 368815540 /nfs/dbraw/zinc/81/55/40/368815540.db2.gz FZPJJWJNQNAETR-SNVBAGLBSA-N 0 3 237.318 3.065 20 0 BGADHN C[C@@H](C1CC1)N(C)Cc1cccc(F)c1F ZINC000073779954 711515817 /nfs/dbraw/zinc/51/58/17/711515817.db2.gz GGGZDQXELBXRTM-VIFPVBQESA-N 0 3 225.282 3.195 20 0 BGADHN C[C@H](C1CC1)N(C)Cc1cccc(F)c1F ZINC000073779956 352809973 /nfs/dbraw/zinc/80/99/73/352809973.db2.gz GGGZDQXELBXRTM-SECBINFHSA-N 0 3 225.282 3.195 20 0 BGADHN Cc1cccc(C)c1NC(=O)C(C)C(F)(F)F ZINC000073850746 368818462 /nfs/dbraw/zinc/81/84/62/368818462.db2.gz LXIKPFONEZHDBV-SECBINFHSA-N 0 3 245.244 3.440 20 0 BGADHN Cc1cccc(C)c1NC(=O)C(C)C(F)(F)F ZINC000073850747 368818161 /nfs/dbraw/zinc/81/81/61/368818161.db2.gz LXIKPFONEZHDBV-VIFPVBQESA-N 0 3 245.244 3.440 20 0 BGADHN CCCCCCNCc1c(C)nn(C)c1Cl ZINC000073870585 631218191 /nfs/dbraw/zinc/21/81/91/631218191.db2.gz MMBISPGIPMOQEV-UHFFFAOYSA-N 0 3 243.782 3.052 20 0 BGADHN c1csc([C@H]2CCCN2Cc2cccnc2)c1 ZINC000073884268 487503025 /nfs/dbraw/zinc/50/30/25/487503025.db2.gz VLGCRXYXAZMNGE-CYBMUJFWSA-N 0 3 244.363 3.480 20 0 BGADHN c1csc([C@@H]2CCCN2Cc2cccnc2)c1 ZINC000073884271 487502220 /nfs/dbraw/zinc/50/22/20/487502220.db2.gz VLGCRXYXAZMNGE-ZDUSSCGKSA-N 0 3 244.363 3.480 20 0 BGADHN c1ccc([C@@H]2CCCN2Cc2cccnc2)cc1 ZINC000073893703 368820610 /nfs/dbraw/zinc/82/06/10/368820610.db2.gz WQAZSJQGVZJQLD-INIZCTEOSA-N 0 3 238.334 3.419 20 0 BGADHN c1ccc([C@H]2CCCN2Cc2cccnc2)cc1 ZINC000073893704 368820263 /nfs/dbraw/zinc/82/02/63/368820263.db2.gz WQAZSJQGVZJQLD-MRXNPFEDSA-N 0 3 238.334 3.419 20 0 BGADHN CN(Cc1cccnc1)[C@@H]1CCc2ccccc21 ZINC000073893789 368820658 /nfs/dbraw/zinc/82/06/58/368820658.db2.gz FYEVNDFQDBFZJC-MRXNPFEDSA-N 0 3 238.334 3.201 20 0 BGADHN CN(Cc1cccnc1)[C@H]1CCc2ccccc21 ZINC000073893790 368819865 /nfs/dbraw/zinc/81/98/65/368819865.db2.gz FYEVNDFQDBFZJC-INIZCTEOSA-N 0 3 238.334 3.201 20 0 BGADHN c1cc(CN2CCC(c3ccccc3)CC2)on1 ZINC000073894450 368820176 /nfs/dbraw/zinc/82/01/76/368820176.db2.gz GHMVMFOUDJENQI-UHFFFAOYSA-N 0 3 242.322 3.054 20 0 BGADHN CCN(C)Cc1ccccc1OC(F)(F)F ZINC000073895246 359108318 /nfs/dbraw/zinc/10/83/18/359108318.db2.gz CTVZXNKRBUXROJ-UHFFFAOYSA-N 0 3 233.233 3.037 20 0 BGADHN Cc1cc([C@@H]2CCCN2CCC(C)C)no1 ZINC000074255806 342728407 /nfs/dbraw/zinc/72/84/07/342728407.db2.gz DCGYGRZFUYCEFV-ZDUSSCGKSA-N 0 3 222.332 3.166 20 0 BGADHN Cc1cc([C@H]2CCCN2CCC(C)C)no1 ZINC000074255809 342728581 /nfs/dbraw/zinc/72/85/81/342728581.db2.gz DCGYGRZFUYCEFV-CYBMUJFWSA-N 0 3 222.332 3.166 20 0 BGADHN COc1ccc(F)cc1CN[C@@H](C)C(C)(C)C ZINC000074317247 325240229 /nfs/dbraw/zinc/24/02/29/325240229.db2.gz IXLQMBJWPWYMQO-JTQLQIEISA-N 0 3 239.334 3.359 20 0 BGADHN COc1ccc(F)cc1CN[C@H](C)C(C)(C)C ZINC000074317250 325240030 /nfs/dbraw/zinc/24/00/30/325240030.db2.gz IXLQMBJWPWYMQO-SNVBAGLBSA-N 0 3 239.334 3.359 20 0 BGADHN CCCN(CCC)Cc1nc2ccccc2[nH]1 ZINC000074320483 169150488 /nfs/dbraw/zinc/15/04/88/169150488.db2.gz CWMBMJFHPJJPBM-UHFFFAOYSA-N 0 3 231.343 3.185 20 0 BGADHN CCC(C)(C)N(C)Cc1cccc2c1OCCO2 ZINC000074320506 342737866 /nfs/dbraw/zinc/73/78/66/342737866.db2.gz ODUBEHZIKNDHPY-UHFFFAOYSA-N 0 3 249.354 3.078 20 0 BGADHN CN(Cc1nc2ccccc2[nH]1)C1CCCCC1 ZINC000074320508 172926274 /nfs/dbraw/zinc/92/62/74/172926274.db2.gz XWVLNOZUHGBPCE-UHFFFAOYSA-N 0 3 243.354 3.327 20 0 BGADHN CCC(C)(C)N(C)CC(=O)Nc1ccc(C)cc1 ZINC000074320516 354604403 /nfs/dbraw/zinc/60/44/03/354604403.db2.gz RWVDYCXFTYIZMU-UHFFFAOYSA-N 0 3 248.370 3.054 20 0 BGADHN COCCCCN(C)Cc1ccc(Cl)s1 ZINC000074328918 174188150 /nfs/dbraw/zinc/18/81/50/174188150.db2.gz LMQPIRIXGXIWLB-UHFFFAOYSA-N 0 3 247.791 3.260 20 0 BGADHN COCCCCN1CCc2sccc2[C@H]1C ZINC000074329848 368839042 /nfs/dbraw/zinc/83/90/42/368839042.db2.gz XVBAXTCXYYLEQT-LLVKDONJSA-N 0 3 239.384 3.094 20 0 BGADHN COCCCCN1CCc2sccc2[C@@H]1C ZINC000074329852 368838967 /nfs/dbraw/zinc/83/89/67/368838967.db2.gz XVBAXTCXYYLEQT-NSHDSACASA-N 0 3 239.384 3.094 20 0 BGADHN Fc1ccc2c(c1)CN(C1CCCC1)CC2 ZINC000074448166 325246395 /nfs/dbraw/zinc/24/63/95/325246395.db2.gz PJKOITJUXBHHCR-UHFFFAOYSA-N 0 3 219.303 3.126 20 0 BGADHN CCN1CCc2ccc(C(C)C)cc2C1 ZINC000074448769 488007436 /nfs/dbraw/zinc/00/74/36/488007436.db2.gz FAYGNYLEGMFWJP-UHFFFAOYSA-N 0 3 203.329 3.188 20 0 BGADHN CCN1CCc2ccc(C(C)(C)C)cc2C1 ZINC000074448936 388461332 /nfs/dbraw/zinc/46/13/32/388461332.db2.gz OSOHRQNUYGEJRR-UHFFFAOYSA-N 0 3 217.356 3.362 20 0 BGADHN Fc1cccc2c1CN(C1CCCC1)CC2 ZINC000074449948 490489258 /nfs/dbraw/zinc/48/92/58/490489258.db2.gz UYGVVEUGNLFFJH-UHFFFAOYSA-N 0 3 219.303 3.126 20 0 BGADHN C[C@@H]1CCC[C@H](C)N1CCC(F)(F)F ZINC000075021066 344761156 /nfs/dbraw/zinc/76/11/56/344761156.db2.gz YYEWGLLZZCXHAO-DTORHVGOSA-N 0 3 209.255 3.202 20 0 BGADHN CC[C@@H]1C[C@H](C)CN1Cc1nc2ccccc2o1 ZINC000075021310 344761117 /nfs/dbraw/zinc/76/11/17/344761117.db2.gz XMDXKBVRFBIRCB-NWDGAFQWSA-N 0 3 244.338 3.448 20 0 BGADHN CC[C@H]1C[C@H](C)CN1Cc1nc2ccccc2o1 ZINC000075021311 344761065 /nfs/dbraw/zinc/76/10/65/344761065.db2.gz XMDXKBVRFBIRCB-RYUDHWBXSA-N 0 3 244.338 3.448 20 0 BGADHN CC[C@@H]1C[C@@H](C)CN1Cc1nc2ccccc2o1 ZINC000075021312 344761192 /nfs/dbraw/zinc/76/11/92/344761192.db2.gz XMDXKBVRFBIRCB-VXGBXAGGSA-N 0 3 244.338 3.448 20 0 BGADHN CC[C@H]1C[C@@H](C)CN1Cc1nc2ccccc2o1 ZINC000075021313 344761023 /nfs/dbraw/zinc/76/10/23/344761023.db2.gz XMDXKBVRFBIRCB-NEPJUHHUSA-N 0 3 244.338 3.448 20 0 BGADHN CC[C@@H]1C[C@H](C)CN1Cc1ccc(Cl)nc1 ZINC000075021734 631684817 /nfs/dbraw/zinc/68/48/17/631684817.db2.gz VYNWXMGOFXHWQO-CMPLNLGQSA-N 0 3 238.762 3.355 20 0 BGADHN CC[C@H]1C[C@H](C)CN1Cc1ccc(Cl)nc1 ZINC000075021735 631683642 /nfs/dbraw/zinc/68/36/42/631683642.db2.gz VYNWXMGOFXHWQO-JQWIXIFHSA-N 0 3 238.762 3.355 20 0 BGADHN CC[C@@H]1C[C@@H](C)CN1Cc1ccc(Cl)nc1 ZINC000075021736 631684093 /nfs/dbraw/zinc/68/40/93/631684093.db2.gz VYNWXMGOFXHWQO-ZYHUDNBSSA-N 0 3 238.762 3.355 20 0 BGADHN CC[C@H]1C[C@@H](C)CN1Cc1ccc(Cl)nc1 ZINC000075021737 631681818 /nfs/dbraw/zinc/68/18/18/631681818.db2.gz VYNWXMGOFXHWQO-PWSUYJOCSA-N 0 3 238.762 3.355 20 0 BGADHN CC[C@@H]1C[C@H](C)CN1Cc1ccnc(Cl)c1 ZINC000075021940 643683564 /nfs/dbraw/zinc/68/35/64/643683564.db2.gz ONESOBVSXXXUBO-CMPLNLGQSA-N 0 3 238.762 3.355 20 0 BGADHN CC[C@H]1C[C@H](C)CN1Cc1ccnc(Cl)c1 ZINC000075021941 643684552 /nfs/dbraw/zinc/68/45/52/643684552.db2.gz ONESOBVSXXXUBO-JQWIXIFHSA-N 0 3 238.762 3.355 20 0 BGADHN CC[C@@H]1C[C@@H](C)CN1Cc1ccnc(Cl)c1 ZINC000075021942 631681717 /nfs/dbraw/zinc/68/17/17/631681717.db2.gz ONESOBVSXXXUBO-ZYHUDNBSSA-N 0 3 238.762 3.355 20 0 BGADHN CC[C@H]1C[C@@H](C)CN1Cc1ccnc(Cl)c1 ZINC000075021943 643684259 /nfs/dbraw/zinc/68/42/59/643684259.db2.gz ONESOBVSXXXUBO-PWSUYJOCSA-N 0 3 238.762 3.355 20 0 BGADHN CC[C@@H]1C[C@H](C)CN1Cc1ccncc1Cl ZINC000075022277 344762552 /nfs/dbraw/zinc/76/25/52/344762552.db2.gz UKDHGLRGSIVVPF-CMPLNLGQSA-N 0 3 238.762 3.355 20 0 BGADHN CC[C@H]1C[C@H](C)CN1Cc1ccncc1Cl ZINC000075022278 344762293 /nfs/dbraw/zinc/76/22/93/344762293.db2.gz UKDHGLRGSIVVPF-JQWIXIFHSA-N 0 3 238.762 3.355 20 0 BGADHN CC[C@@H]1C[C@@H](C)CN1Cc1ccncc1Cl ZINC000075022279 344762469 /nfs/dbraw/zinc/76/24/69/344762469.db2.gz UKDHGLRGSIVVPF-ZYHUDNBSSA-N 0 3 238.762 3.355 20 0 BGADHN CC[C@H]1C[C@@H](C)CN1Cc1ccncc1Cl ZINC000075022280 344762504 /nfs/dbraw/zinc/76/25/04/344762504.db2.gz UKDHGLRGSIVVPF-PWSUYJOCSA-N 0 3 238.762 3.355 20 0 BGADHN CC[C@@H]1C[C@H](C)CN1Cc1cccnc1Cl ZINC000075022677 643246573 /nfs/dbraw/zinc/24/65/73/643246573.db2.gz LVZCUMFOFIMTKW-CMPLNLGQSA-N 0 3 238.762 3.355 20 0 BGADHN CC[C@H]1C[C@H](C)CN1Cc1cccnc1Cl ZINC000075022678 631681684 /nfs/dbraw/zinc/68/16/84/631681684.db2.gz LVZCUMFOFIMTKW-JQWIXIFHSA-N 0 3 238.762 3.355 20 0 BGADHN CC[C@@H]1C[C@@H](C)CN1Cc1cccnc1Cl ZINC000075022679 631684224 /nfs/dbraw/zinc/68/42/24/631684224.db2.gz LVZCUMFOFIMTKW-ZYHUDNBSSA-N 0 3 238.762 3.355 20 0 BGADHN CC[C@H]1C[C@@H](C)CN1Cc1cccnc1Cl ZINC000075022680 631684076 /nfs/dbraw/zinc/68/40/76/631684076.db2.gz LVZCUMFOFIMTKW-PWSUYJOCSA-N 0 3 238.762 3.355 20 0 BGADHN CC[C@@H]1C[C@H](C)CN1Cc1cccc(Cl)n1 ZINC000075022725 631684661 /nfs/dbraw/zinc/68/46/61/631684661.db2.gz ZPCLCKHCSUYOPL-CMPLNLGQSA-N 0 3 238.762 3.355 20 0 BGADHN CC[C@H]1C[C@H](C)CN1Cc1cccc(Cl)n1 ZINC000075022726 631684051 /nfs/dbraw/zinc/68/40/51/631684051.db2.gz ZPCLCKHCSUYOPL-JQWIXIFHSA-N 0 3 238.762 3.355 20 0 BGADHN CC[C@@H]1C[C@@H](C)CN1Cc1cccc(Cl)n1 ZINC000075022727 631684704 /nfs/dbraw/zinc/68/47/04/631684704.db2.gz ZPCLCKHCSUYOPL-ZYHUDNBSSA-N 0 3 238.762 3.355 20 0 BGADHN CC[C@H]1C[C@@H](C)CN1Cc1cccc(Cl)n1 ZINC000075022728 643245926 /nfs/dbraw/zinc/24/59/26/643245926.db2.gz ZPCLCKHCSUYOPL-PWSUYJOCSA-N 0 3 238.762 3.355 20 0 BGADHN CC[C@@H]1C[C@H](C)CN1Cc1csc(C)n1 ZINC000075023072 344763009 /nfs/dbraw/zinc/76/30/09/344763009.db2.gz AHMBASLKAVDCGU-JOYOIKCWSA-N 0 3 224.373 3.072 20 0 BGADHN CC[C@H]1C[C@H](C)CN1Cc1csc(C)n1 ZINC000075023073 344763064 /nfs/dbraw/zinc/76/30/64/344763064.db2.gz AHMBASLKAVDCGU-CABZTGNLSA-N 0 3 224.373 3.072 20 0 BGADHN CC[C@@H]1C[C@@H](C)CN1Cc1csc(C)n1 ZINC000075023074 344762999 /nfs/dbraw/zinc/76/29/99/344762999.db2.gz AHMBASLKAVDCGU-BXKDBHETSA-N 0 3 224.373 3.072 20 0 BGADHN CC[C@H]1C[C@@H](C)CN1Cc1csc(C)n1 ZINC000075023075 344763056 /nfs/dbraw/zinc/76/30/56/344763056.db2.gz AHMBASLKAVDCGU-SKDRFNHKSA-N 0 3 224.373 3.072 20 0 BGADHN CO[C@H](CNc1ccnc2ccccc21)C(C)C ZINC000075062567 344764169 /nfs/dbraw/zinc/76/41/69/344764169.db2.gz GWJKEURKTAGNCN-OAHLLOKOSA-N 0 3 244.338 3.318 20 0 BGADHN CO[C@@H](CNc1ccnc2ccccc21)C(C)C ZINC000075062568 344764243 /nfs/dbraw/zinc/76/42/43/344764243.db2.gz GWJKEURKTAGNCN-HNNXBMFYSA-N 0 3 244.338 3.318 20 0 BGADHN COc1ccccc1C(C)(C)NCc1cc[nH]c1 ZINC000075093193 175319960 /nfs/dbraw/zinc/31/99/60/175319960.db2.gz SNDBGUSZFSCSFW-UHFFFAOYSA-N 0 3 244.338 3.048 20 0 BGADHN CCC(CC)NCc1cc(F)ccc1OC ZINC000075152576 168390215 /nfs/dbraw/zinc/39/02/15/168390215.db2.gz KZHSDLDQHSXYTG-UHFFFAOYSA-N 0 3 225.307 3.113 20 0 BGADHN CC(C)(C)c1ccc(CNC2CSC2)cc1 ZINC000075173263 490518162 /nfs/dbraw/zinc/51/81/62/490518162.db2.gz MWEIYXLWNMFKKA-UHFFFAOYSA-N 0 3 235.396 3.189 20 0 BGADHN Cc1noc(C)c1CNC1CCC(C)(C)CC1 ZINC000075173886 384782229 /nfs/dbraw/zinc/78/22/29/384782229.db2.gz PYQFYBHXNWGSOL-UHFFFAOYSA-N 0 3 236.359 3.350 20 0 BGADHN CC[C@@H](O)CN(C)[C@@H](C)c1cc2ccccc2o1 ZINC000075586223 359178282 /nfs/dbraw/zinc/17/82/82/359178282.db2.gz YKRZMOFBQNKWDD-WCQYABFASA-N 0 3 247.338 3.197 20 0 BGADHN CC[C@@H](O)CN(C)[C@H](C)c1cc2ccccc2o1 ZINC000075586224 344779795 /nfs/dbraw/zinc/77/97/95/344779795.db2.gz YKRZMOFBQNKWDD-DGCLKSJQSA-N 0 3 247.338 3.197 20 0 BGADHN Cc1cccc([C@@H](C)N2CCOC(C)(C)C2)c1 ZINC000075589019 325301240 /nfs/dbraw/zinc/30/12/40/325301240.db2.gz PNQCWBCWGFYUJG-CYBMUJFWSA-N 0 3 233.355 3.167 20 0 BGADHN Cc1cccc([C@H](C)N2CCOC(C)(C)C2)c1 ZINC000075589021 325301106 /nfs/dbraw/zinc/30/11/06/325301106.db2.gz PNQCWBCWGFYUJG-ZDUSSCGKSA-N 0 3 233.355 3.167 20 0 BGADHN Cc1cccc([C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000075589598 325301345 /nfs/dbraw/zinc/30/13/45/325301345.db2.gz GDWLAPNFRCLFBA-HZSPNIEDSA-N 0 3 233.355 3.165 20 0 BGADHN Cc1cccc([C@H](C)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000075589601 325301546 /nfs/dbraw/zinc/30/15/46/325301546.db2.gz GDWLAPNFRCLFBA-MJBXVCDLSA-N 0 3 233.355 3.165 20 0 BGADHN CCCCN(CC)Cc1cccc(Cl)n1 ZINC000075593608 384045607 /nfs/dbraw/zinc/04/56/07/384045607.db2.gz VJJDYPVZVGCKMD-UHFFFAOYSA-N 0 3 226.751 3.357 20 0 BGADHN CCCN(Cc1cccc(Cl)n1)CC1CC1 ZINC000075593674 169174731 /nfs/dbraw/zinc/17/47/31/169174731.db2.gz ZJWBNSRMNHAHSF-UHFFFAOYSA-N 0 3 238.762 3.357 20 0 BGADHN CC[C@@H](O)CN(C)[C@H](C)c1ccc(Cl)cc1 ZINC000075597213 344014549 /nfs/dbraw/zinc/01/45/49/344014549.db2.gz ZNXNUYOACOLFSW-ZWNOBZJWSA-N 0 3 241.762 3.104 20 0 BGADHN Cc1cnc(CN2CCC[C@H]3CCCC[C@@H]32)o1 ZINC000075611616 386087494 /nfs/dbraw/zinc/08/74/94/386087494.db2.gz MXOOFKCUNOTQNC-OLZOCXBDSA-N 0 3 234.343 3.138 20 0 BGADHN Cc1cnc(CN2CCC[C@@H]3CCCC[C@@H]32)o1 ZINC000075611617 386088126 /nfs/dbraw/zinc/08/81/26/386088126.db2.gz MXOOFKCUNOTQNC-STQMWFEESA-N 0 3 234.343 3.138 20 0 BGADHN CCc1cnc(CN2CCC[C@@H]3CCCC[C@@H]32)o1 ZINC000075611696 488062738 /nfs/dbraw/zinc/06/27/38/488062738.db2.gz FYHUNRLYPCQILI-JSGCOSHPSA-N 0 3 248.370 3.392 20 0 BGADHN CN(Cc1cccc(Cl)n1)C1CCCCC1 ZINC000075616317 384050043 /nfs/dbraw/zinc/05/00/43/384050043.db2.gz AAPWJLKKRJBOMA-UHFFFAOYSA-N 0 3 238.762 3.500 20 0 BGADHN CN(Cc1ccncc1Cl)C1CCCCC1 ZINC000075616320 325303761 /nfs/dbraw/zinc/30/37/61/325303761.db2.gz NZAFDMJJTKPIKR-UHFFFAOYSA-N 0 3 238.762 3.500 20 0 BGADHN Cc1cnc(CN(CC(C)C)CC(C)C)o1 ZINC000075622395 325304207 /nfs/dbraw/zinc/30/42/07/325304207.db2.gz RKGGYNCHUUDSLP-UHFFFAOYSA-N 0 3 224.348 3.097 20 0 BGADHN CCC[C@@H](C)N(C)Cc1cccc(Cl)n1 ZINC000075622811 169365838 /nfs/dbraw/zinc/36/58/38/169365838.db2.gz JYDYYQIUVHLIHN-SNVBAGLBSA-N 0 3 226.751 3.355 20 0 BGADHN CCC[C@H](C)N(C)Cc1cccc(Cl)n1 ZINC000075622813 384051410 /nfs/dbraw/zinc/05/14/10/384051410.db2.gz JYDYYQIUVHLIHN-JTQLQIEISA-N 0 3 226.751 3.355 20 0 BGADHN CSCCCN(C)Cc1ccc(F)c(F)c1 ZINC000075624009 398224746 /nfs/dbraw/zinc/22/47/46/398224746.db2.gz UWYVNJNEFSJDED-UHFFFAOYSA-N 0 3 245.338 3.150 20 0 BGADHN CC(C)CN(Cc1cccc(Cl)n1)C1CC1 ZINC000075624142 343363533 /nfs/dbraw/zinc/36/35/33/343363533.db2.gz AIDCHGBXJYHCSV-UHFFFAOYSA-N 0 3 238.762 3.355 20 0 BGADHN Cc1cnc(CN2CC[C@H](C)[C@H]3CCCC[C@@H]32)o1 ZINC000075625368 344781201 /nfs/dbraw/zinc/78/12/01/344781201.db2.gz DBLPWPRTTQUYKU-YUTCNCBUSA-N 0 3 248.370 3.384 20 0 BGADHN CCN(Cc1ncc(C)o1)C1CCCCC1 ZINC000075636793 325304914 /nfs/dbraw/zinc/30/49/14/325304914.db2.gz CXAPYAWMXNKORG-UHFFFAOYSA-N 0 3 222.332 3.138 20 0 BGADHN CC(C)N(Cc1cccc(Cl)n1)C1CC1 ZINC000075637453 410053355 /nfs/dbraw/zinc/05/33/55/410053355.db2.gz POWDDEUPANFJIT-UHFFFAOYSA-N 0 3 224.735 3.108 20 0 BGADHN CCN(Cc1cccc(Cl)n1)C1CCCC1 ZINC000075638384 343363770 /nfs/dbraw/zinc/36/37/70/343363770.db2.gz FLUGIEGMFSDCJR-UHFFFAOYSA-N 0 3 238.762 3.500 20 0 BGADHN Cc1cccc([C@@H](C)N2CCSCC2)c1 ZINC000075638553 179180345 /nfs/dbraw/zinc/18/03/45/179180345.db2.gz AYSAAWLGRKIJRT-GFCCVEGCSA-N 0 3 221.369 3.105 20 0 BGADHN Cc1cccc([C@H](C)N2CCSCC2)c1 ZINC000075638556 179194649 /nfs/dbraw/zinc/19/46/49/179194649.db2.gz AYSAAWLGRKIJRT-LBPRGKRZSA-N 0 3 221.369 3.105 20 0 BGADHN CC[C@@H](O)CN(C)[C@H](C)c1ccccc1Cl ZINC000075642148 344782455 /nfs/dbraw/zinc/78/24/55/344782455.db2.gz CBJXUDSXPUVPAA-GHMZBOCLSA-N 0 3 241.762 3.104 20 0 BGADHN CSCCCN(Cc1ccccn1)C(C)C ZINC000075642872 344782541 /nfs/dbraw/zinc/78/25/41/344782541.db2.gz BFSKRMIZWILWAE-UHFFFAOYSA-N 0 3 238.400 3.045 20 0 BGADHN Cc1cnc(CN2CCC[C@@H]2C2CCCC2)o1 ZINC000075644490 359186864 /nfs/dbraw/zinc/18/68/64/359186864.db2.gz UGOCVZHOJNMETB-CYBMUJFWSA-N 0 3 234.343 3.138 20 0 BGADHN Cc1cnc(CN2CCC[C@H]2C2CCCC2)o1 ZINC000075644492 359187108 /nfs/dbraw/zinc/18/71/08/359187108.db2.gz UGOCVZHOJNMETB-ZDUSSCGKSA-N 0 3 234.343 3.138 20 0 BGADHN CC(C)[C@@H]1CCCN1Cc1cccc(Cl)n1 ZINC000075648322 384050489 /nfs/dbraw/zinc/05/04/89/384050489.db2.gz XWXUJEXUZLQVAR-LBPRGKRZSA-N 0 3 238.762 3.355 20 0 BGADHN CC(C)[C@H]1CCCN1Cc1cccc(Cl)n1 ZINC000075648325 188290180 /nfs/dbraw/zinc/29/01/80/188290180.db2.gz XWXUJEXUZLQVAR-GFCCVEGCSA-N 0 3 238.762 3.355 20 0 BGADHN C[C@@H]1CCCN(Cc2cccc(Cl)n2)CC1 ZINC000075674344 641768502 /nfs/dbraw/zinc/76/85/02/641768502.db2.gz ULMFFJSIGKHLOV-LLVKDONJSA-N 0 3 238.762 3.357 20 0 BGADHN C[C@H]1CCCN(Cc2cccc(Cl)n2)CC1 ZINC000075674346 641766972 /nfs/dbraw/zinc/76/69/72/641766972.db2.gz ULMFFJSIGKHLOV-NSHDSACASA-N 0 3 238.762 3.357 20 0 BGADHN C[C@@H]1CCCN(Cc2ccncc2Cl)CC1 ZINC000075674348 325306419 /nfs/dbraw/zinc/30/64/19/325306419.db2.gz YBNKHKFHPNFOJQ-LLVKDONJSA-N 0 3 238.762 3.357 20 0 BGADHN C[C@H]1CCCN(Cc2ccncc2Cl)CC1 ZINC000075674350 325305948 /nfs/dbraw/zinc/30/59/48/325305948.db2.gz YBNKHKFHPNFOJQ-NSHDSACASA-N 0 3 238.762 3.357 20 0 BGADHN Cc1ccsc1CNCc1cccc(O)c1 ZINC000075675437 384326915 /nfs/dbraw/zinc/32/69/15/384326915.db2.gz DSOQEEAAJLVDBT-UHFFFAOYSA-N 0 3 233.336 3.052 20 0 BGADHN Cc1cnc(CN2CCC[C@@H]2CC(C)(C)C)o1 ZINC000075675555 344783763 /nfs/dbraw/zinc/78/37/63/344783763.db2.gz VGBSIYWGXAHZKQ-GFCCVEGCSA-N 0 3 236.359 3.384 20 0 BGADHN Cc1cnc(CN2CCC[C@H]2CC(C)(C)C)o1 ZINC000075675557 344784021 /nfs/dbraw/zinc/78/40/21/344784021.db2.gz VGBSIYWGXAHZKQ-LBPRGKRZSA-N 0 3 236.359 3.384 20 0 BGADHN Cc1ccc(-c2cc(CN3CCCC3)on2)cc1 ZINC000075680880 488067466 /nfs/dbraw/zinc/06/74/66/488067466.db2.gz WUCJPSMDHHMLEL-UHFFFAOYSA-N 0 3 242.322 3.246 20 0 BGADHN CCN(CCCSC)CCC(F)(F)F ZINC000075681403 370167741 /nfs/dbraw/zinc/16/77/41/370167741.db2.gz LAKHZSYGEBYIAI-UHFFFAOYSA-N 0 3 229.311 3.014 20 0 BGADHN CCN(C)Cc1ccccc1OCC(F)(F)F ZINC000075682418 325306733 /nfs/dbraw/zinc/30/67/33/325306733.db2.gz ANOIHWUIPXAYQO-UHFFFAOYSA-N 0 3 247.260 3.079 20 0 BGADHN CN(Cc1cccc(Cl)n1)CC(C)(C)C ZINC000075685045 384051471 /nfs/dbraw/zinc/05/14/71/384051471.db2.gz CLHGGADPARAWIF-UHFFFAOYSA-N 0 3 226.751 3.213 20 0 BGADHN CCN(Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000075700569 325307298 /nfs/dbraw/zinc/30/72/98/325307298.db2.gz ZGSDWOFWUMDPRE-GXFFZTMASA-N 0 3 219.328 3.387 20 0 BGADHN CCN(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000075700574 325307362 /nfs/dbraw/zinc/30/73/62/325307362.db2.gz ZGSDWOFWUMDPRE-GWCFXTLKSA-N 0 3 219.328 3.387 20 0 BGADHN CSCCCN(C)Cc1ccc(C)s1 ZINC000075712764 384335595 /nfs/dbraw/zinc/33/55/95/384335595.db2.gz UQUABCBRFFRSIQ-UHFFFAOYSA-N 0 3 229.414 3.241 20 0 BGADHN Clc1cccc(CN2CCC[C@@H]2C2CC2)n1 ZINC000075713767 344777485 /nfs/dbraw/zinc/77/74/85/344777485.db2.gz LQHGCBQBPVWOGL-GFCCVEGCSA-N 0 3 236.746 3.109 20 0 BGADHN Clc1cccc(CN2CCC[C@H]2C2CC2)n1 ZINC000075713768 344777537 /nfs/dbraw/zinc/77/75/37/344777537.db2.gz LQHGCBQBPVWOGL-LBPRGKRZSA-N 0 3 236.746 3.109 20 0 BGADHN CC[C@@H](C)CN(C)Cc1cccc(Cl)n1 ZINC000075720973 384051277 /nfs/dbraw/zinc/05/12/77/384051277.db2.gz NZPKTLDAJYICDF-SNVBAGLBSA-N 0 3 226.751 3.213 20 0 BGADHN CC[C@H](C)CN(C)Cc1cccc(Cl)n1 ZINC000075720977 171274292 /nfs/dbraw/zinc/27/42/92/171274292.db2.gz NZPKTLDAJYICDF-JTQLQIEISA-N 0 3 226.751 3.213 20 0 BGADHN C[C@@H]1CCCCCN1Cc1cccc(Cl)n1 ZINC000075744561 643475978 /nfs/dbraw/zinc/47/59/78/643475978.db2.gz TVWMKCVCTVBMPE-LLVKDONJSA-N 0 3 238.762 3.500 20 0 BGADHN C[C@H]1CCCCCN1Cc1cccc(Cl)n1 ZINC000075744564 643474210 /nfs/dbraw/zinc/47/42/10/643474210.db2.gz TVWMKCVCTVBMPE-NSHDSACASA-N 0 3 238.762 3.500 20 0 BGADHN C[C@@H]1CCCCCN1Cc1ccncc1Cl ZINC000075744566 344778648 /nfs/dbraw/zinc/77/86/48/344778648.db2.gz TUZAVTDYUOBWQS-LLVKDONJSA-N 0 3 238.762 3.500 20 0 BGADHN C[C@H]1CCCCCN1Cc1ccncc1Cl ZINC000075744568 342860270 /nfs/dbraw/zinc/86/02/70/342860270.db2.gz TUZAVTDYUOBWQS-NSHDSACASA-N 0 3 238.762 3.500 20 0 BGADHN CCc1cnc(CN2C[C@H](C)CCC[C@@H]2C)o1 ZINC000075767309 353146203 /nfs/dbraw/zinc/14/62/03/353146203.db2.gz DEPCGKAZPSNFCH-NEPJUHHUSA-N 0 3 236.359 3.248 20 0 BGADHN CCc1cnc(CN2C[C@@H](C)CCC[C@@H]2C)o1 ZINC000075767311 344791356 /nfs/dbraw/zinc/79/13/56/344791356.db2.gz DEPCGKAZPSNFCH-RYUDHWBXSA-N 0 3 236.359 3.248 20 0 BGADHN Clc1cccc(CN2C[C@@H]3CC=CC[C@@H]3C2)n1 ZINC000075767971 643254252 /nfs/dbraw/zinc/25/42/52/643254252.db2.gz DMSGFEMTEIADEM-TXEJJXNPSA-N 0 3 248.757 3.133 20 0 BGADHN Clc1cnccc1CN1C[C@@H]2CC=CC[C@@H]2C1 ZINC000075767975 643253827 /nfs/dbraw/zinc/25/38/27/643253827.db2.gz KFIDRHADMFGDTA-TXEJJXNPSA-N 0 3 248.757 3.133 20 0 BGADHN C1=C[C@H](N2CCC[C@H]3CCC[C@@H]32)CCC1 ZINC000075768681 325311480 /nfs/dbraw/zinc/31/14/80/325311480.db2.gz HCLCDMNNYCTPHN-RDBSUJKOSA-N 0 3 205.345 3.360 20 0 BGADHN C[C@H](O)CCN(C)[C@@H](C)c1cccc(Cl)c1 ZINC000075776454 384338815 /nfs/dbraw/zinc/33/88/15/384338815.db2.gz CZCWPFIXBXMSCM-QWRGUYRKSA-N 0 3 241.762 3.104 20 0 BGADHN C[C@@H](O)CCN(C)[C@@H](C)c1cccc(Cl)c1 ZINC000075776457 176017136 /nfs/dbraw/zinc/01/71/36/176017136.db2.gz CZCWPFIXBXMSCM-MNOVXSKESA-N 0 3 241.762 3.104 20 0 BGADHN C[C@H](O)CCN(C)Cc1ccc(C(C)(C)C)cc1 ZINC000075778059 325311896 /nfs/dbraw/zinc/31/18/96/325311896.db2.gz PLVMXSVIIXARFR-ZDUSSCGKSA-N 0 3 249.398 3.187 20 0 BGADHN C[C@@H](O)CCN(C)Cc1ccc(C(C)(C)C)cc1 ZINC000075778062 325311767 /nfs/dbraw/zinc/31/17/67/325311767.db2.gz PLVMXSVIIXARFR-CYBMUJFWSA-N 0 3 249.398 3.187 20 0 BGADHN C[C@H](O)CCN(C)Cc1csc2ccccc12 ZINC000075783316 384338531 /nfs/dbraw/zinc/33/85/31/384338531.db2.gz VICJGKCXDPEXJY-NSHDSACASA-N 0 3 249.379 3.104 20 0 BGADHN C[C@@H](O)CCN(C)Cc1csc2ccccc12 ZINC000075783321 384338022 /nfs/dbraw/zinc/33/80/22/384338022.db2.gz VICJGKCXDPEXJY-LLVKDONJSA-N 0 3 249.379 3.104 20 0 BGADHN CCC1CCC(NCc2c(C)noc2C)CC1 ZINC000075819734 384355020 /nfs/dbraw/zinc/35/50/20/384355020.db2.gz WLQWMSAQEMZLOW-UHFFFAOYSA-N 0 3 236.359 3.350 20 0 BGADHN C1=C[C@H](N2CCOC3(CCCCC3)C2)CCC1 ZINC000075832011 325315667 /nfs/dbraw/zinc/31/56/67/325315667.db2.gz NFMSOLZNDGAFLI-AWEZNQCLSA-N 0 3 235.371 3.130 20 0 BGADHN C1=C[C@@H](N2CCOC3(CCCCC3)C2)CCC1 ZINC000075832012 325315385 /nfs/dbraw/zinc/31/53/85/325315385.db2.gz NFMSOLZNDGAFLI-CQSZACIVSA-N 0 3 235.371 3.130 20 0 BGADHN CC(C)C1CCN(C/C=C/Cl)CC1 ZINC000075833526 641772936 /nfs/dbraw/zinc/77/29/36/641772936.db2.gz ZIZLGIZLQYJMEV-ZZXKWVIFSA-N 0 3 201.741 3.107 20 0 BGADHN CC(C)C1CCN(CCC(F)(F)F)CC1 ZINC000075833562 370171872 /nfs/dbraw/zinc/17/18/72/370171872.db2.gz REDFOSQYYXQLEJ-UHFFFAOYSA-N 0 3 223.282 3.307 20 0 BGADHN Cc1cnc(CN2[C@H](C)C[C@H]3CCCC[C@@H]32)o1 ZINC000075837489 325316199 /nfs/dbraw/zinc/31/61/99/325316199.db2.gz OQZNDFZVYLUVAA-RTXFEEFZSA-N 0 3 234.343 3.136 20 0 BGADHN Cc1cc(CN2[C@H](C)C[C@H]3CCCC[C@@H]32)no1 ZINC000075838244 325316616 /nfs/dbraw/zinc/31/66/16/325316616.db2.gz LXFSWMOLNGEQQQ-QKCSRTOESA-N 0 3 234.343 3.136 20 0 BGADHN COc1ccc(Cl)cc1CN(C)C1CCC1 ZINC000075840746 384358359 /nfs/dbraw/zinc/35/83/59/384358359.db2.gz LSVGSWIDPHJGNP-UHFFFAOYSA-N 0 3 239.746 3.333 20 0 BGADHN CC(C)Oc1ccccc1CN(C)C1CCC1 ZINC000075841817 359226966 /nfs/dbraw/zinc/22/69/66/359226966.db2.gz OJYNUXOFFRUEGI-UHFFFAOYSA-N 0 3 233.355 3.458 20 0 BGADHN CN(Cc1ccccc1OC(F)F)C1CCC1 ZINC000075841876 384341832 /nfs/dbraw/zinc/34/18/32/384341832.db2.gz CKVNXZIUXGPFCT-UHFFFAOYSA-N 0 3 241.281 3.272 20 0 BGADHN CN(Cc1ccc(Cl)s1)C1CCC1 ZINC000075841970 325317188 /nfs/dbraw/zinc/31/71/88/325317188.db2.gz FVEASJVYURTVMZ-UHFFFAOYSA-N 0 3 215.749 3.386 20 0 BGADHN CCC1(O)CCN(Cc2cc(C)cc(C)c2)CC1 ZINC000075858532 344785545 /nfs/dbraw/zinc/78/55/45/344785545.db2.gz DWHMJJFFSYAOTL-UHFFFAOYSA-N 0 3 247.382 3.040 20 0 BGADHN C[C@@H]1CN(Cc2cccc(F)c2)C[C@H](C)S1 ZINC000075892194 344787271 /nfs/dbraw/zinc/78/72/71/344787271.db2.gz VJHLYJHBLWVAJV-PHIMTYICSA-N 0 3 239.359 3.152 20 0 BGADHN C[C@H]1CN(Cc2cccc(F)c2)C[C@H](C)S1 ZINC000075892196 344787334 /nfs/dbraw/zinc/78/73/34/344787334.db2.gz VJHLYJHBLWVAJV-QWRGUYRKSA-N 0 3 239.359 3.152 20 0 BGADHN C[C@@H]1CN(Cc2cccc(F)c2)C[C@@H](C)S1 ZINC000075892197 344787060 /nfs/dbraw/zinc/78/70/60/344787060.db2.gz VJHLYJHBLWVAJV-GHMZBOCLSA-N 0 3 239.359 3.152 20 0 BGADHN CC(C)=CCN(C)[C@@H](CCO)c1ccccc1 ZINC000075899407 344787842 /nfs/dbraw/zinc/78/78/42/344787842.db2.gz OTVUAKHPNUJXFF-HNNXBMFYSA-N 0 3 233.355 3.008 20 0 BGADHN CC(C)=CCN(C)[C@H](CCO)c1ccccc1 ZINC000075899408 344787861 /nfs/dbraw/zinc/78/78/61/344787861.db2.gz OTVUAKHPNUJXFF-OAHLLOKOSA-N 0 3 233.355 3.008 20 0 BGADHN CCN1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000075901057 359246908 /nfs/dbraw/zinc/24/69/08/359246908.db2.gz YZXNSFFHFYTQPS-ZWNOBZJWSA-N 0 3 207.292 3.229 20 0 BGADHN CCN1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000075901058 359246643 /nfs/dbraw/zinc/24/66/43/359246643.db2.gz YZXNSFFHFYTQPS-GXFFZTMASA-N 0 3 207.292 3.229 20 0 BGADHN CN(C)Cc1ccc(F)c(-c2nccs2)c1 ZINC000075927884 491111656 /nfs/dbraw/zinc/11/16/56/491111656.db2.gz KRIWFANLRKXUBT-UHFFFAOYSA-N 0 3 236.315 3.011 20 0 BGADHN C[C@@H](c1ccncc1)N(C)CCc1cccs1 ZINC000075965095 370192982 /nfs/dbraw/zinc/19/29/82/370192982.db2.gz GALPOJVBSZVCNP-LBPRGKRZSA-N 0 3 246.379 3.379 20 0 BGADHN C[C@H](c1ccncc1)N(C)CCc1cccs1 ZINC000075965097 370193027 /nfs/dbraw/zinc/19/30/27/370193027.db2.gz GALPOJVBSZVCNP-GFCCVEGCSA-N 0 3 246.379 3.379 20 0 BGADHN C[C@@H](c1cccnc1)N(C)CCc1cccs1 ZINC000075965645 325323469 /nfs/dbraw/zinc/32/34/69/325323469.db2.gz YLJGDYOBSOAWSG-LBPRGKRZSA-N 0 3 246.379 3.379 20 0 BGADHN C[C@H](c1cccnc1)N(C)CCc1cccs1 ZINC000075965647 325323623 /nfs/dbraw/zinc/32/36/23/325323623.db2.gz YLJGDYOBSOAWSG-GFCCVEGCSA-N 0 3 246.379 3.379 20 0 BGADHN CC(C)=CCN(C)CCc1cccs1 ZINC000075966443 325323578 /nfs/dbraw/zinc/32/35/78/325323578.db2.gz USPVGNPNPSGGAA-UHFFFAOYSA-N 0 3 209.358 3.189 20 0 BGADHN CN(CCOC(C)(C)C)CCc1cccs1 ZINC000075966613 384348064 /nfs/dbraw/zinc/34/80/64/384348064.db2.gz HXSGRFYONMJIDM-UHFFFAOYSA-N 0 3 241.400 3.038 20 0 BGADHN FC(F)(F)C1CCN([C@H]2C=CCCC2)CC1 ZINC000075969454 384352014 /nfs/dbraw/zinc/35/20/14/384352014.db2.gz VIGTVYRVTAPLCT-NSHDSACASA-N 0 3 233.277 3.369 20 0 BGADHN FC(F)(F)C1CCN([C@@H]2C=CCCC2)CC1 ZINC000075969455 325323882 /nfs/dbraw/zinc/32/38/82/325323882.db2.gz VIGTVYRVTAPLCT-LLVKDONJSA-N 0 3 233.277 3.369 20 0 BGADHN FC(F)(F)C1CCN(Cc2ccccc2)CC1 ZINC000075969571 384350484 /nfs/dbraw/zinc/35/04/84/384350484.db2.gz JMRWIRVJKTYQHM-UHFFFAOYSA-N 0 3 243.272 3.461 20 0 BGADHN CSCCCN1CCC(C(F)(F)F)CC1 ZINC000075996209 325324075 /nfs/dbraw/zinc/32/40/75/325324075.db2.gz QZONPPBGGUPGKD-UHFFFAOYSA-N 0 3 241.322 3.014 20 0 BGADHN CCCCN1CCC(C(F)(F)F)CC1 ZINC000075996230 359261711 /nfs/dbraw/zinc/26/17/11/359261711.db2.gz SZHOXISNIKBDNW-UHFFFAOYSA-N 0 3 209.255 3.061 20 0 BGADHN CC(C)=CCN1CCC(C(F)(F)F)CC1 ZINC000075997053 325323867 /nfs/dbraw/zinc/32/38/67/325323867.db2.gz DYXNEDZONRDHGS-UHFFFAOYSA-N 0 3 221.266 3.227 20 0 BGADHN CC[C@]1(C)CCCN(Cc2cccnc2)C1 ZINC000075998076 384352182 /nfs/dbraw/zinc/35/21/82/384352182.db2.gz UKXICTBKMVILTC-CQSZACIVSA-N 0 3 218.344 3.094 20 0 BGADHN CC[C@@]1(C)CCCN(Cc2cccnc2)C1 ZINC000075998078 171198608 /nfs/dbraw/zinc/19/86/08/171198608.db2.gz UKXICTBKMVILTC-AWEZNQCLSA-N 0 3 218.344 3.094 20 0 BGADHN CC[C@]1(C)CCCN(Cc2ccccn2)C1 ZINC000075998235 384351416 /nfs/dbraw/zinc/35/14/16/384351416.db2.gz ZJAQZQGBHVFURE-CQSZACIVSA-N 0 3 218.344 3.094 20 0 BGADHN CC[C@@]1(C)CCCN(Cc2ccccn2)C1 ZINC000075998237 171198730 /nfs/dbraw/zinc/19/87/30/171198730.db2.gz ZJAQZQGBHVFURE-AWEZNQCLSA-N 0 3 218.344 3.094 20 0 BGADHN CC[C@]1(C)CCCN(CCC(F)(F)F)C1 ZINC000075998775 344790176 /nfs/dbraw/zinc/79/01/76/344790176.db2.gz XLTMZQNOGNRJFC-SNVBAGLBSA-N 0 3 223.282 3.451 20 0 BGADHN CC[C@@]1(C)CCCN(CCC(F)(F)F)C1 ZINC000075998777 344789851 /nfs/dbraw/zinc/78/98/51/344789851.db2.gz XLTMZQNOGNRJFC-JTQLQIEISA-N 0 3 223.282 3.451 20 0 BGADHN CC[C@]1(C)CCCN(Cc2ccncc2)C1 ZINC000075999422 384351376 /nfs/dbraw/zinc/35/13/76/384351376.db2.gz YROPKRVZAHNDIT-CQSZACIVSA-N 0 3 218.344 3.094 20 0 BGADHN CC[C@@]1(C)CCCN(Cc2ccncc2)C1 ZINC000075999423 171199070 /nfs/dbraw/zinc/19/90/70/171199070.db2.gz YROPKRVZAHNDIT-AWEZNQCLSA-N 0 3 218.344 3.094 20 0 BGADHN CCCN1CCSC[C@@H]1c1ccc(C)o1 ZINC000076010310 344790707 /nfs/dbraw/zinc/79/07/07/344790707.db2.gz KDNMQIVEGGYTIG-LLVKDONJSA-N 0 3 225.357 3.088 20 0 BGADHN CCCN1CCSC[C@H]1c1ccc(C)o1 ZINC000076010314 344790755 /nfs/dbraw/zinc/79/07/55/344790755.db2.gz KDNMQIVEGGYTIG-NSHDSACASA-N 0 3 225.357 3.088 20 0 BGADHN CC1(C)CCN(Cc2cccc(F)c2)C1 ZINC000076013672 359269022 /nfs/dbraw/zinc/26/90/22/359269022.db2.gz YPHSDAHHVBTUOK-UHFFFAOYSA-N 0 3 207.292 3.058 20 0 BGADHN CC1(C)CCN(Cc2ccccc2F)C1 ZINC000076014176 384350118 /nfs/dbraw/zinc/35/01/18/384350118.db2.gz PUSIRHHFGDOFBJ-UHFFFAOYSA-N 0 3 207.292 3.058 20 0 BGADHN CC1(C)CCN(Cc2ccc(F)cc2)C1 ZINC000076014689 359268725 /nfs/dbraw/zinc/26/87/25/359268725.db2.gz DKRJYEQMICRKHO-UHFFFAOYSA-N 0 3 207.292 3.058 20 0 BGADHN CC(C)=CCN1CCS[C@H](C(C)C)C1 ZINC000076066062 367999005 /nfs/dbraw/zinc/99/90/05/367999005.db2.gz XRXUREBYHVFQLT-LBPRGKRZSA-N 0 3 213.390 3.026 20 0 BGADHN CC(C)=CCN1CCS[C@@H](C(C)C)C1 ZINC000076066065 367998994 /nfs/dbraw/zinc/99/89/94/367998994.db2.gz XRXUREBYHVFQLT-GFCCVEGCSA-N 0 3 213.390 3.026 20 0 BGADHN CC[C@@H]1CN(Cc2ccccc2)CCS1 ZINC000076072281 135000805 /nfs/dbraw/zinc/00/08/05/135000805.db2.gz NLNHXTDJCGWOGR-CYBMUJFWSA-N 0 3 221.369 3.014 20 0 BGADHN CC[C@H]1CN(Cc2ccccc2)CCS1 ZINC000076072282 135000216 /nfs/dbraw/zinc/00/02/16/135000216.db2.gz NLNHXTDJCGWOGR-ZDUSSCGKSA-N 0 3 221.369 3.014 20 0 BGADHN C[C@H]1CN(Cc2ccc(F)c(F)c2)C[C@H]1C ZINC000076110534 344794942 /nfs/dbraw/zinc/79/49/42/344794942.db2.gz FRLFVIIIEMWCFQ-AOOOYVTPSA-N 0 3 225.282 3.053 20 0 BGADHN C[C@H]1CN(Cc2ccc(F)c(F)c2)C[C@@H]1C ZINC000076110535 344795217 /nfs/dbraw/zinc/79/52/17/344795217.db2.gz FRLFVIIIEMWCFQ-UWVGGRQHSA-N 0 3 225.282 3.053 20 0 BGADHN C[C@@H]1CN(Cc2ccc(F)c(F)c2)C[C@H]1C ZINC000076110536 342897801 /nfs/dbraw/zinc/89/78/01/342897801.db2.gz FRLFVIIIEMWCFQ-NXEZZACHSA-N 0 3 225.282 3.053 20 0 BGADHN C[C@H]1CN(Cc2cccc(F)c2F)C[C@H]1C ZINC000076112682 344796239 /nfs/dbraw/zinc/79/62/39/344796239.db2.gz CROOCCKXPXWESJ-AOOOYVTPSA-N 0 3 225.282 3.053 20 0 BGADHN C[C@H]1CN(Cc2cccc(F)c2F)C[C@@H]1C ZINC000076112684 344796163 /nfs/dbraw/zinc/79/61/63/344796163.db2.gz CROOCCKXPXWESJ-UWVGGRQHSA-N 0 3 225.282 3.053 20 0 BGADHN C[C@@H]1CN(Cc2cccc(F)c2F)C[C@H]1C ZINC000076112687 344796216 /nfs/dbraw/zinc/79/62/16/344796216.db2.gz CROOCCKXPXWESJ-NXEZZACHSA-N 0 3 225.282 3.053 20 0 BGADHN C[C@@H](c1ccccc1F)N1CCC[C@H]1C ZINC000076114448 135011100 /nfs/dbraw/zinc/01/11/00/135011100.db2.gz NODITEJSOZJACX-MNOVXSKESA-N 0 3 207.292 3.371 20 0 BGADHN C[C@@H](c1ccccc1F)N1CCC[C@@H]1C ZINC000076114450 135010796 /nfs/dbraw/zinc/01/07/96/135010796.db2.gz NODITEJSOZJACX-QWRGUYRKSA-N 0 3 207.292 3.371 20 0 BGADHN C[C@@H]1CCCN1Cc1cccc(Cl)c1 ZINC000076115391 135011130 /nfs/dbraw/zinc/01/11/30/135011130.db2.gz WTSMBMKAVWKPID-SNVBAGLBSA-N 0 3 209.720 3.324 20 0 BGADHN C[C@H]1CCCN1Cc1cccc(Cl)c1 ZINC000076115395 135010186 /nfs/dbraw/zinc/01/01/86/135010186.db2.gz WTSMBMKAVWKPID-JTQLQIEISA-N 0 3 209.720 3.324 20 0 BGADHN C[C@@H]1CCCN1CCSc1ccccc1F ZINC000076115672 384438879 /nfs/dbraw/zinc/43/88/79/384438879.db2.gz KDRSXUAEWBTBQU-LLVKDONJSA-N 0 3 239.359 3.402 20 0 BGADHN C[C@H]1CCCN1CCSc1ccccc1F ZINC000076115675 384438487 /nfs/dbraw/zinc/43/84/87/384438487.db2.gz KDRSXUAEWBTBQU-NSHDSACASA-N 0 3 239.359 3.402 20 0 BGADHN C[C@@H]1CCCN1CCc1ccccc1Cl ZINC000076116023 325331859 /nfs/dbraw/zinc/33/18/59/325331859.db2.gz FVKHEJRBFMMOKR-LLVKDONJSA-N 0 3 223.747 3.367 20 0 BGADHN C[C@H]1CCCN1CCc1ccccc1Cl ZINC000076116025 325332362 /nfs/dbraw/zinc/33/23/62/325332362.db2.gz FVKHEJRBFMMOKR-NSHDSACASA-N 0 3 223.747 3.367 20 0 BGADHN C[C@@H]1CCCN1Cc1cc(F)cc2cccnc21 ZINC000076116575 135011189 /nfs/dbraw/zinc/01/11/89/135011189.db2.gz YHZVZLHBRVTSKJ-LLVKDONJSA-N 0 3 244.313 3.358 20 0 BGADHN C[C@H]1CCCN1Cc1cc(F)cc2cccnc21 ZINC000076116578 135010950 /nfs/dbraw/zinc/01/09/50/135010950.db2.gz YHZVZLHBRVTSKJ-NSHDSACASA-N 0 3 244.313 3.358 20 0 BGADHN C[C@@H]1CCCN1Cc1ccccc1OC(F)F ZINC000076116677 176109771 /nfs/dbraw/zinc/10/97/71/176109771.db2.gz HJWKRJBKOQXVHS-SNVBAGLBSA-N 0 3 241.281 3.272 20 0 BGADHN C[C@H]1CCCN1Cc1ccccc1OC(F)F ZINC000076116681 177110009 /nfs/dbraw/zinc/11/00/09/177110009.db2.gz HJWKRJBKOQXVHS-JTQLQIEISA-N 0 3 241.281 3.272 20 0 BGADHN C[C@@H]1CCCN1Cc1ccc(Cl)s1 ZINC000076116846 135010305 /nfs/dbraw/zinc/01/03/05/135010305.db2.gz OZOMGKQHVGWTHZ-MRVPVSSYSA-N 0 3 215.749 3.386 20 0 BGADHN C[C@H]1CCCN1Cc1ccc(Cl)s1 ZINC000076116848 135011280 /nfs/dbraw/zinc/01/12/80/135011280.db2.gz OZOMGKQHVGWTHZ-QMMMGPOBSA-N 0 3 215.749 3.386 20 0 BGADHN C[C@@H]1CCCN1Cc1cc(-c2ccccc2)no1 ZINC000076117297 344797108 /nfs/dbraw/zinc/79/71/08/344797108.db2.gz JAMXUOAYRZFPIN-GFCCVEGCSA-N 0 3 242.322 3.326 20 0 BGADHN C[C@H]1CCCN1Cc1cc(-c2ccccc2)no1 ZINC000076117300 344796925 /nfs/dbraw/zinc/79/69/25/344796925.db2.gz JAMXUOAYRZFPIN-LBPRGKRZSA-N 0 3 242.322 3.326 20 0 BGADHN C[C@@H]1CCCN1Cc1ccccc1Cl ZINC000076117471 135010439 /nfs/dbraw/zinc/01/04/39/135010439.db2.gz NQBZHELYTACJOQ-SNVBAGLBSA-N 0 3 209.720 3.324 20 0 BGADHN C[C@H]1CCCN1Cc1ccccc1Cl ZINC000076117474 384439349 /nfs/dbraw/zinc/43/93/49/384439349.db2.gz NQBZHELYTACJOQ-JTQLQIEISA-N 0 3 209.720 3.324 20 0 BGADHN C[C@@H]1CCCN1Cc1ccc(F)c2cccnc12 ZINC000076117559 344796893 /nfs/dbraw/zinc/79/68/93/344796893.db2.gz HVVFHAYYPVABJF-LLVKDONJSA-N 0 3 244.313 3.358 20 0 BGADHN C[C@H]1CCCN1Cc1ccc(F)c2cccnc12 ZINC000076117561 344796888 /nfs/dbraw/zinc/79/68/88/344796888.db2.gz HVVFHAYYPVABJF-NSHDSACASA-N 0 3 244.313 3.358 20 0 BGADHN c1ccc([C@@H]2COCCN2CC2CCCC2)cc1 ZINC000076118798 344797506 /nfs/dbraw/zinc/79/75/06/344797506.db2.gz ZJDJSAVYGYTOJZ-INIZCTEOSA-N 0 3 245.366 3.250 20 0 BGADHN c1ccc([C@H]2COCCN2CC2CCCC2)cc1 ZINC000076118799 344797303 /nfs/dbraw/zinc/79/73/03/344797303.db2.gz ZJDJSAVYGYTOJZ-MRXNPFEDSA-N 0 3 245.366 3.250 20 0 BGADHN CC(C)CCN1CCOC[C@@H]1c1ccccc1 ZINC000076118898 344797713 /nfs/dbraw/zinc/79/77/13/344797713.db2.gz XFNPXEXLVAUTNI-OAHLLOKOSA-N 0 3 233.355 3.106 20 0 BGADHN CC(C)CCN1CCOC[C@H]1c1ccccc1 ZINC000076118899 344797396 /nfs/dbraw/zinc/79/73/96/344797396.db2.gz XFNPXEXLVAUTNI-HNNXBMFYSA-N 0 3 233.355 3.106 20 0 BGADHN CCC[C@]1(C)CCCN(Cc2cccnc2)C1 ZINC000076145509 135012301 /nfs/dbraw/zinc/01/23/01/135012301.db2.gz ZAERUAGUTOIKFE-OAHLLOKOSA-N 0 3 232.371 3.484 20 0 BGADHN CCC[C@@]1(C)CCCN(Cc2cccnc2)C1 ZINC000076145511 535552367 /nfs/dbraw/zinc/55/23/67/535552367.db2.gz ZAERUAGUTOIKFE-HNNXBMFYSA-N 0 3 232.371 3.484 20 0 BGADHN CCC[C@]1(C)CCCN(Cc2ccccn2)C1 ZINC000076145578 135012419 /nfs/dbraw/zinc/01/24/19/135012419.db2.gz DLEFEPBQIFSBNS-OAHLLOKOSA-N 0 3 232.371 3.484 20 0 BGADHN CCC[C@@]1(C)CCCN(Cc2ccccn2)C1 ZINC000076145579 535553828 /nfs/dbraw/zinc/55/38/28/535553828.db2.gz DLEFEPBQIFSBNS-HNNXBMFYSA-N 0 3 232.371 3.484 20 0 BGADHN CCC[C@]1(C)CCCN(Cc2cc(C)no2)C1 ZINC000076145991 344798127 /nfs/dbraw/zinc/79/81/27/344798127.db2.gz OQNQWEFWKFOWGO-CQSZACIVSA-N 0 3 236.359 3.385 20 0 BGADHN CCC[C@@]1(C)CCCN(Cc2cc(C)no2)C1 ZINC000076145992 344798060 /nfs/dbraw/zinc/79/80/60/344798060.db2.gz OQNQWEFWKFOWGO-AWEZNQCLSA-N 0 3 236.359 3.385 20 0 BGADHN CCC[C@]1(C)CCCN(Cc2ccncc2)C1 ZINC000076146087 135013187 /nfs/dbraw/zinc/01/31/87/135013187.db2.gz ZOUYFOXCRJRCPQ-OAHLLOKOSA-N 0 3 232.371 3.484 20 0 BGADHN CCC[C@@]1(C)CCCN(Cc2ccncc2)C1 ZINC000076146088 535552583 /nfs/dbraw/zinc/55/25/83/535552583.db2.gz ZOUYFOXCRJRCPQ-HNNXBMFYSA-N 0 3 232.371 3.484 20 0 BGADHN CCCCN1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000076148096 325334032 /nfs/dbraw/zinc/33/40/32/325334032.db2.gz WAPIGXUXXYOPHY-DZGCQCFKSA-N 0 3 233.355 3.249 20 0 BGADHN CCCCN1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000076148097 325334279 /nfs/dbraw/zinc/33/42/79/325334279.db2.gz WAPIGXUXXYOPHY-UKRRQHHQSA-N 0 3 233.355 3.249 20 0 BGADHN CC(C)CN1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000076148365 325334210 /nfs/dbraw/zinc/33/42/10/325334210.db2.gz MHZWSVXRICFSKF-HIFRSBDPSA-N 0 3 233.355 3.104 20 0 BGADHN CC(C)CN1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000076148366 325334219 /nfs/dbraw/zinc/33/42/19/325334219.db2.gz MHZWSVXRICFSKF-ZFWWWQNUSA-N 0 3 233.355 3.104 20 0 BGADHN C[C@@H]1CC[C@H](C)N(Cc2nc3ccccc3o2)C1 ZINC000076149129 135013922 /nfs/dbraw/zinc/01/39/22/135013922.db2.gz VETOKUNRGNBPFH-NEPJUHHUSA-N 0 3 244.338 3.448 20 0 BGADHN C[C@H]1CC[C@H](C)N(Cc2nc3ccccc3o2)C1 ZINC000076149130 135013900 /nfs/dbraw/zinc/01/39/00/135013900.db2.gz VETOKUNRGNBPFH-RYUDHWBXSA-N 0 3 244.338 3.448 20 0 BGADHN C[C@@H]1CC[C@@H](C)N(Cc2nc3ccccc3o2)C1 ZINC000076149131 135013582 /nfs/dbraw/zinc/01/35/82/135013582.db2.gz VETOKUNRGNBPFH-VXGBXAGGSA-N 0 3 244.338 3.448 20 0 BGADHN C[C@@H]1CC[C@H](C)CN1Cc1nc2ccccc2o1 ZINC000076149132 135013098 /nfs/dbraw/zinc/01/30/98/135013098.db2.gz VETOKUNRGNBPFH-NWDGAFQWSA-N 0 3 244.338 3.448 20 0 BGADHN CCOCCN1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000076184403 398233805 /nfs/dbraw/zinc/23/38/05/398233805.db2.gz SDHTXHYNXDOWGT-QWHCGFSZSA-N 0 3 237.343 3.089 20 0 BGADHN CCOCCN1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000076184404 398233831 /nfs/dbraw/zinc/23/38/31/398233831.db2.gz SDHTXHYNXDOWGT-CHWSQXEVSA-N 0 3 237.343 3.089 20 0 BGADHN c1cc([C@@H]2CCCN2C[C@@H]2CCCO2)cs1 ZINC000076199902 344022859 /nfs/dbraw/zinc/02/28/59/344022859.db2.gz ZQLNKPSGQGQOOL-STQMWFEESA-N 0 3 237.368 3.064 20 0 BGADHN c1cc([C@H]2CCCN2C[C@@H]2CCCO2)cs1 ZINC000076199903 344799657 /nfs/dbraw/zinc/79/96/57/344799657.db2.gz ZQLNKPSGQGQOOL-QWHCGFSZSA-N 0 3 237.368 3.064 20 0 BGADHN COc1ccccc1CNCCCc1ccco1 ZINC000076276485 487739446 /nfs/dbraw/zinc/73/94/46/487739446.db2.gz SELBKCVFELVFBO-UHFFFAOYSA-N 0 3 245.322 3.011 20 0 BGADHN c1coc(CNCCCc2cccs2)c1 ZINC000076277251 388473866 /nfs/dbraw/zinc/47/38/66/388473866.db2.gz VOWNBQKGMJTBTH-UHFFFAOYSA-N 0 3 221.325 3.064 20 0 BGADHN COc1cccc(CCCNCc2ccco2)c1 ZINC000076287128 175251830 /nfs/dbraw/zinc/25/18/30/175251830.db2.gz FPHUXGVZCKKGAU-UHFFFAOYSA-N 0 3 245.322 3.011 20 0 BGADHN CCn1ccnc1CN1CCC[C@@H]1CC(C)(C)C ZINC000076293070 135023663 /nfs/dbraw/zinc/02/36/63/135023663.db2.gz SDNDQAFNXJYRKB-CYBMUJFWSA-N 0 3 249.402 3.304 20 0 BGADHN CCn1ccnc1CN1CCC[C@H]1CC(C)(C)C ZINC000076293072 135023736 /nfs/dbraw/zinc/02/37/36/135023736.db2.gz SDNDQAFNXJYRKB-ZDUSSCGKSA-N 0 3 249.402 3.304 20 0 BGADHN Cc1ccc(CN(C)CCOC(C)(C)C)s1 ZINC000076341907 398236392 /nfs/dbraw/zinc/23/63/92/398236392.db2.gz IWHOUPACFLMJSG-UHFFFAOYSA-N 0 3 241.400 3.303 20 0 BGADHN CC(C)=CCN(C)Cc1ccc(C)s1 ZINC000076342477 325341765 /nfs/dbraw/zinc/34/17/65/325341765.db2.gz DVLVRRABSQGQFH-UHFFFAOYSA-N 0 3 209.358 3.455 20 0 BGADHN Cc1ccc(CN(C)CCc2ccccn2)s1 ZINC000076342881 398235948 /nfs/dbraw/zinc/23/59/48/398235948.db2.gz NZIMMNNLVQTKRT-UHFFFAOYSA-N 0 3 246.379 3.126 20 0 BGADHN CC(C)Oc1cccc(CN2CCCCC2)c1 ZINC000076406445 325343604 /nfs/dbraw/zinc/34/36/04/325343604.db2.gz RPBKUXWFHWIOJH-UHFFFAOYSA-N 0 3 233.355 3.460 20 0 BGADHN C[C@@H](c1ccccc1F)N1CCCCC1 ZINC000076406454 325343710 /nfs/dbraw/zinc/34/37/10/325343710.db2.gz LVXLAIRDIRZYGL-NSHDSACASA-N 0 3 207.292 3.373 20 0 BGADHN C[C@H](c1ccccc1F)N1CCCCC1 ZINC000076406456 325343745 /nfs/dbraw/zinc/34/37/45/325343745.db2.gz LVXLAIRDIRZYGL-LLVKDONJSA-N 0 3 207.292 3.373 20 0 BGADHN CCCCOCCN(C)Cc1ccc(C)s1 ZINC000076496850 135040398 /nfs/dbraw/zinc/04/03/98/135040398.db2.gz FVAPHICMNIVDPI-UHFFFAOYSA-N 0 3 241.400 3.305 20 0 BGADHN CCCC(C)(C)NCc1cn2ccccc2n1 ZINC000076496902 387874804 /nfs/dbraw/zinc/87/48/04/387874804.db2.gz USOVYOUCYGSXPH-UHFFFAOYSA-N 0 3 231.343 3.003 20 0 BGADHN CCC[C@@H](C)N(C)Cc1cn2c(cccc2C)n1 ZINC000076608044 344804815 /nfs/dbraw/zinc/80/48/15/344804815.db2.gz OHRSBXTTYSHJKY-GFCCVEGCSA-N 0 3 245.370 3.263 20 0 BGADHN CCC[C@H](C)N(C)Cc1cn2c(cccc2C)n1 ZINC000076608048 344804857 /nfs/dbraw/zinc/80/48/57/344804857.db2.gz OHRSBXTTYSHJKY-LBPRGKRZSA-N 0 3 245.370 3.263 20 0 BGADHN c1ccc2c(c1)CCN([C@H]1C=CCCC1)C2 ZINC000076667694 370342009 /nfs/dbraw/zinc/34/20/09/370342009.db2.gz COVPCINJEHZFSK-HNNXBMFYSA-N 0 3 213.324 3.153 20 0 BGADHN c1ccc2c(c1)CCN([C@@H]1C=CCCC1)C2 ZINC000076667696 370341981 /nfs/dbraw/zinc/34/19/81/370341981.db2.gz COVPCINJEHZFSK-OAHLLOKOSA-N 0 3 213.324 3.153 20 0 BGADHN COc1cccc(CN(C)[C@H]2C=CCCC2)c1 ZINC000076667859 344805294 /nfs/dbraw/zinc/80/52/94/344805294.db2.gz YQHFSKSRVCFACM-AWEZNQCLSA-N 0 3 231.339 3.236 20 0 BGADHN COc1cccc(CN(C)[C@@H]2C=CCCC2)c1 ZINC000076667863 344805198 /nfs/dbraw/zinc/80/51/98/344805198.db2.gz YQHFSKSRVCFACM-CQSZACIVSA-N 0 3 231.339 3.236 20 0 BGADHN CN(CCOc1ccccc1)[C@H]1C=CCCC1 ZINC000076667876 325352415 /nfs/dbraw/zinc/35/24/15/325352415.db2.gz SWKYGVHETCYUQW-AWEZNQCLSA-N 0 3 231.339 3.106 20 0 BGADHN CN(CCOc1ccccc1)[C@@H]1C=CCCC1 ZINC000076667880 325352366 /nfs/dbraw/zinc/35/23/66/325352366.db2.gz SWKYGVHETCYUQW-CQSZACIVSA-N 0 3 231.339 3.106 20 0 BGADHN CN(CCOc1ccccc1F)[C@H]1C=CCCC1 ZINC000076668224 325352337 /nfs/dbraw/zinc/35/23/37/325352337.db2.gz DIPNIMNGQLZTEM-ZDUSSCGKSA-N 0 3 249.329 3.245 20 0 BGADHN CN(CCOc1ccccc1F)[C@@H]1C=CCCC1 ZINC000076668227 325352426 /nfs/dbraw/zinc/35/24/26/325352426.db2.gz DIPNIMNGQLZTEM-CYBMUJFWSA-N 0 3 249.329 3.245 20 0 BGADHN c1cc2c(s1)CCN([C@H]1C=CCCC1)C2 ZINC000076668421 191005696 /nfs/dbraw/zinc/00/56/96/191005696.db2.gz ZUSWSIVYCHBQRH-LBPRGKRZSA-N 0 3 219.353 3.215 20 0 BGADHN c1cc2c(s1)CCN([C@@H]1C=CCCC1)C2 ZINC000076668425 592319158 /nfs/dbraw/zinc/31/91/58/592319158.db2.gz ZUSWSIVYCHBQRH-GFCCVEGCSA-N 0 3 219.353 3.215 20 0 BGADHN Cc1cccn2cc(CN(C(C)C)C3CC3)nc12 ZINC000076674705 343466423 /nfs/dbraw/zinc/46/64/23/343466423.db2.gz VNSYFLCYEFBYST-UHFFFAOYSA-N 0 3 243.354 3.016 20 0 BGADHN Cc1cccc2nc(CN(C(C)C)C3CC3)cn21 ZINC000076674731 325352986 /nfs/dbraw/zinc/35/29/86/325352986.db2.gz LMIIQDOBWSDWRQ-UHFFFAOYSA-N 0 3 243.354 3.016 20 0 BGADHN CCN(Cc1cn2ccccc2n1)C1CCCC1 ZINC000076677767 410062298 /nfs/dbraw/zinc/06/22/98/410062298.db2.gz UKJSYZANMDCHRQ-UHFFFAOYSA-N 0 3 243.354 3.099 20 0 BGADHN Fc1cc(CN[C@@H]2CCSC2)ccc1Cl ZINC000076690237 384382168 /nfs/dbraw/zinc/38/21/68/384382168.db2.gz CJOBBKVIUJFHFQ-SECBINFHSA-N 0 3 245.750 3.074 20 0 BGADHN Fc1cc(CN[C@H]2CCSC2)ccc1Cl ZINC000076690241 384062349 /nfs/dbraw/zinc/06/23/49/384062349.db2.gz CJOBBKVIUJFHFQ-VIFPVBQESA-N 0 3 245.750 3.074 20 0 BGADHN C#CCNC(C)(C)c1cccc(C(F)(F)F)c1 ZINC000076692882 643260896 /nfs/dbraw/zinc/26/08/96/643260896.db2.gz NMQGTFSUESYKOC-UHFFFAOYSA-N 0 3 241.256 3.163 20 0 BGADHN Cc1cc([C@@H]2CCCN2CCC(C)C)on1 ZINC000076712737 344808542 /nfs/dbraw/zinc/80/85/42/344808542.db2.gz YNBZICBOFCURDL-LBPRGKRZSA-N 0 3 222.332 3.166 20 0 BGADHN Cc1cc([C@H]2CCCN2CCC(C)C)on1 ZINC000076712739 344808668 /nfs/dbraw/zinc/80/86/68/344808668.db2.gz YNBZICBOFCURDL-GFCCVEGCSA-N 0 3 222.332 3.166 20 0 BGADHN Cc1nc(CN2CC[C@@H]3CCCC[C@@H]32)cs1 ZINC000076724356 135048445 /nfs/dbraw/zinc/04/84/45/135048445.db2.gz CMXOMOYXZJGXNV-AAEUAGOBSA-N 0 3 236.384 3.216 20 0 BGADHN Cc1nc(CN2CCC[C@@H]2C(C)(C)C)cs1 ZINC000076727650 344809090 /nfs/dbraw/zinc/80/90/90/344809090.db2.gz CSRJVLPOPYRHSW-GFCCVEGCSA-N 0 3 238.400 3.462 20 0 BGADHN Cc1nc(CN2CCC[C@H]2C(C)(C)C)cs1 ZINC000076727653 344808858 /nfs/dbraw/zinc/80/88/58/344808858.db2.gz CSRJVLPOPYRHSW-LBPRGKRZSA-N 0 3 238.400 3.462 20 0 BGADHN Cc1nc(CN2CCCC[C@@H]2C(C)C)cs1 ZINC000076731666 384559008 /nfs/dbraw/zinc/55/90/08/384559008.db2.gz TWYURSDPSXAAOX-CYBMUJFWSA-N 0 3 238.400 3.462 20 0 BGADHN Cc1nc(CN2CCCC[C@H]2C(C)C)cs1 ZINC000076731671 384559444 /nfs/dbraw/zinc/55/94/44/384559444.db2.gz TWYURSDPSXAAOX-ZDUSSCGKSA-N 0 3 238.400 3.462 20 0 BGADHN Cc1cccc(C(C)(C)NCc2cccnc2)c1 ZINC000076764079 179028045 /nfs/dbraw/zinc/02/80/45/179028045.db2.gz GRVCVDLMCPBOEX-UHFFFAOYSA-N 0 3 240.350 3.415 20 0 BGADHN Cc1cccc(C(C)(C)NCc2ccncc2)c1 ZINC000076764195 179027970 /nfs/dbraw/zinc/02/79/70/179027970.db2.gz UBPVYJUNEPXGOG-UHFFFAOYSA-N 0 3 240.350 3.415 20 0 BGADHN CC(C)=CCN(Cc1ccccn1)C(C)C ZINC000076777157 370351361 /nfs/dbraw/zinc/35/13/61/370351361.db2.gz PFQSQGAEWLFOLO-UHFFFAOYSA-N 0 3 218.344 3.258 20 0 BGADHN CCN[C@@H](C)c1csc(-c2ccccc2)n1 ZINC000076784451 170143148 /nfs/dbraw/zinc/14/31/48/170143148.db2.gz XKCGXEWJNASWMM-JTQLQIEISA-N 0 3 232.352 3.481 20 0 BGADHN CCN[C@H](C)c1csc(-c2ccccc2)n1 ZINC000076784453 170160500 /nfs/dbraw/zinc/16/05/00/170160500.db2.gz XKCGXEWJNASWMM-SNVBAGLBSA-N 0 3 232.352 3.481 20 0 BGADHN c1coc([C@@H]2CCCCCN2C[C@@H]2CCCO2)c1 ZINC000076805079 487840337 /nfs/dbraw/zinc/84/03/37/487840337.db2.gz CVVAZYXERNEEQN-KBPBESRZSA-N 0 3 249.354 3.376 20 0 BGADHN c1coc([C@H]2CCCCCN2C[C@@H]2CCCO2)c1 ZINC000076805085 487840348 /nfs/dbraw/zinc/84/03/48/487840348.db2.gz CVVAZYXERNEEQN-UONOGXRCSA-N 0 3 249.354 3.376 20 0 BGADHN Cc1cc(N2CCSCC2)c2ccccc2n1 ZINC000076833057 344806925 /nfs/dbraw/zinc/80/69/25/344806925.db2.gz ADNVBUKOLQVHNK-UHFFFAOYSA-N 0 3 244.363 3.096 20 0 BGADHN Cc1nc(C)c(CNCc2ccccc2)s1 ZINC000076865115 398248912 /nfs/dbraw/zinc/24/89/12/398248912.db2.gz JHFLWBYOGQVPNM-UHFFFAOYSA-N 0 3 232.352 3.050 20 0 BGADHN Cc1nc(C)c(CNCc2cccs2)s1 ZINC000076865254 384061272 /nfs/dbraw/zinc/06/12/72/384061272.db2.gz GEJYPVKASMMYGO-UHFFFAOYSA-N 0 3 238.381 3.111 20 0 BGADHN Cc1nc(C)c(CNCc2ccccc2C)s1 ZINC000076865288 385254718 /nfs/dbraw/zinc/25/47/18/385254718.db2.gz KTGAKBZFFOTCKJ-UHFFFAOYSA-N 0 3 246.379 3.358 20 0 BGADHN Cc1nc(C)c(CNCc2cccc(C)c2)s1 ZINC000076865629 179095230 /nfs/dbraw/zinc/09/52/30/179095230.db2.gz ZBDLLFNXZUDNBX-UHFFFAOYSA-N 0 3 246.379 3.358 20 0 BGADHN CC(C)(NCc1cccnc1)c1cccc(F)c1 ZINC000076901920 188135518 /nfs/dbraw/zinc/13/55/18/188135518.db2.gz UKSXNDPWGMFRHT-UHFFFAOYSA-N 0 3 244.313 3.246 20 0 BGADHN CC(C)(NCc1ccncc1)c1cccc(F)c1 ZINC000076902136 384386449 /nfs/dbraw/zinc/38/64/49/384386449.db2.gz VQSFUKWSXJNGRP-UHFFFAOYSA-N 0 3 244.313 3.246 20 0 BGADHN CCN1CCC(Oc2ccc(C)c(C)c2)CC1 ZINC000077169396 135057845 /nfs/dbraw/zinc/05/78/45/135057845.db2.gz BYNIGZOBLIYZJR-UHFFFAOYSA-N 0 3 233.355 3.167 20 0 BGADHN CC(C)=CCN1CCC[C@@H]1c1ccc[nH]1 ZINC000077170976 135058862 /nfs/dbraw/zinc/05/88/62/135058862.db2.gz PVJCNDPSDATBMN-CYBMUJFWSA-N 0 3 204.317 3.118 20 0 BGADHN CC(C)=CCN1CCC[C@H]1c1ccc[nH]1 ZINC000077170977 135059017 /nfs/dbraw/zinc/05/90/17/135059017.db2.gz PVJCNDPSDATBMN-ZDUSSCGKSA-N 0 3 204.317 3.118 20 0 BGADHN CCN(C)Cc1cccc(C(F)(F)F)c1 ZINC000077182570 135059086 /nfs/dbraw/zinc/05/90/86/135059086.db2.gz VLTJURXOHQHHQN-UHFFFAOYSA-N 0 3 217.234 3.157 20 0 BGADHN CCN(C)Cc1cc(Cl)cc(Cl)c1 ZINC000077183179 135058802 /nfs/dbraw/zinc/05/88/02/135058802.db2.gz JLXFZALDTLVWRD-UHFFFAOYSA-N 0 3 218.127 3.445 20 0 BGADHN Cc1cc(CNC(C)(C)CC(C)(C)C)on1 ZINC000077183421 343364735 /nfs/dbraw/zinc/36/47/35/343364735.db2.gz YLHOONZLMOMIQP-UHFFFAOYSA-N 0 3 224.348 3.287 20 0 BGADHN Cc1ncc(CN(C)CCc2ccccc2)s1 ZINC000077185037 325368296 /nfs/dbraw/zinc/36/82/96/325368296.db2.gz PHAAZWRDWHFYRY-UHFFFAOYSA-N 0 3 246.379 3.126 20 0 BGADHN CCN1CCC[C@@H]1c1ccccc1Cl ZINC000077204213 325369462 /nfs/dbraw/zinc/36/94/62/325369462.db2.gz ZRHZOTHJFPVDMI-GFCCVEGCSA-N 0 3 209.720 3.497 20 0 BGADHN CCN1CCC[C@H]1c1ccccc1Cl ZINC000077204214 325369384 /nfs/dbraw/zinc/36/93/84/325369384.db2.gz ZRHZOTHJFPVDMI-LBPRGKRZSA-N 0 3 209.720 3.497 20 0 BGADHN CC[C@@H](CCO)Nc1cc(C)nc2ccccc21 ZINC000077232398 386162821 /nfs/dbraw/zinc/16/28/21/386162821.db2.gz LQJPFMMPHBSGJG-LBPRGKRZSA-N 0 3 244.338 3.116 20 0 BGADHN CC[C@H](CCO)Nc1cc(C)nc2ccccc21 ZINC000077232400 386164157 /nfs/dbraw/zinc/16/41/57/386164157.db2.gz LQJPFMMPHBSGJG-GFCCVEGCSA-N 0 3 244.338 3.116 20 0 BGADHN CCN(C)Cc1cnc(-c2ccccc2)s1 ZINC000077242113 325370551 /nfs/dbraw/zinc/37/05/51/325370551.db2.gz RALQRVLEMJBUMS-UHFFFAOYSA-N 0 3 232.352 3.262 20 0 BGADHN CC(C)CN(CCC(F)(F)F)C1CC1 ZINC000077250487 343064705 /nfs/dbraw/zinc/06/47/05/343064705.db2.gz BSBQGJZRWYDXNE-UHFFFAOYSA-N 0 3 209.255 3.059 20 0 BGADHN CCCCCCN(C)Cc1c(C)noc1C ZINC000077251029 711951970 /nfs/dbraw/zinc/95/19/70/711951970.db2.gz MJIKEEMUOVDXDT-UHFFFAOYSA-N 0 3 224.348 3.304 20 0 BGADHN c1cc(CN2CCC[C@@H]2C2CCCCC2)no1 ZINC000077267739 487847093 /nfs/dbraw/zinc/84/70/93/487847093.db2.gz WEKIWSGESFWADE-CQSZACIVSA-N 0 3 234.343 3.219 20 0 BGADHN c1cc(CN2CCC[C@H]2C2CCCCC2)no1 ZINC000077267742 135060629 /nfs/dbraw/zinc/06/06/29/135060629.db2.gz WEKIWSGESFWADE-AWEZNQCLSA-N 0 3 234.343 3.219 20 0 BGADHN CN(CCc1ccc(F)cc1)CCC(F)(F)F ZINC000077269536 364411048 /nfs/dbraw/zinc/41/10/48/364411048.db2.gz RUNASBWJEJWTNL-UHFFFAOYSA-N 0 3 249.251 3.252 20 0 BGADHN FC(F)(F)CCN1CC[C@@H](c2ccccc2)C1 ZINC000077272953 384209192 /nfs/dbraw/zinc/20/91/92/384209192.db2.gz LMGHIXBCLMBXBI-GFCCVEGCSA-N 0 3 243.272 3.428 20 0 BGADHN FC(F)(F)CCN1CC[C@H](c2ccccc2)C1 ZINC000077272958 491125879 /nfs/dbraw/zinc/12/58/79/491125879.db2.gz LMGHIXBCLMBXBI-LBPRGKRZSA-N 0 3 243.272 3.428 20 0 BGADHN CC(C)(C)C[C@@H]1CCCN1Cc1ccon1 ZINC000077273146 135060786 /nfs/dbraw/zinc/06/07/86/135060786.db2.gz KMPDIIRNJAGDFB-LBPRGKRZSA-N 0 3 222.332 3.075 20 0 BGADHN CC(C)(C)C[C@H]1CCCN1Cc1ccon1 ZINC000077273152 135060739 /nfs/dbraw/zinc/06/07/39/135060739.db2.gz KMPDIIRNJAGDFB-GFCCVEGCSA-N 0 3 222.332 3.075 20 0 BGADHN c1cc(CN(CC2CC2)C2CCCCC2)no1 ZINC000077278924 135060372 /nfs/dbraw/zinc/06/03/72/135060372.db2.gz KAYQMNGRTAFWPG-UHFFFAOYSA-N 0 3 234.343 3.219 20 0 BGADHN CCC(CC)N(CCOC)CCC(F)(F)F ZINC000077280686 344814828 /nfs/dbraw/zinc/81/48/28/344814828.db2.gz NJBZXOISXAVYCW-UHFFFAOYSA-N 0 3 241.297 3.076 20 0 BGADHN CC(C)(C)[C@@H]1CCCC[C@@H]1NCc1ccon1 ZINC000077281075 325372577 /nfs/dbraw/zinc/37/25/77/325372577.db2.gz ZAKHLFNNSYFSOB-OLZOCXBDSA-N 0 3 236.359 3.369 20 0 BGADHN CC(C)(C)[C@H]1CCCC[C@@H]1NCc1ccon1 ZINC000077281080 325372506 /nfs/dbraw/zinc/37/25/06/325372506.db2.gz ZAKHLFNNSYFSOB-STQMWFEESA-N 0 3 236.359 3.369 20 0 BGADHN CC(C)(C)[C@@H]1CCCC[C@H]1NCc1ccon1 ZINC000077281086 325372473 /nfs/dbraw/zinc/37/24/73/325372473.db2.gz ZAKHLFNNSYFSOB-CHWSQXEVSA-N 0 3 236.359 3.369 20 0 BGADHN CC(C)(C)[C@H]1CCCC[C@H]1NCc1ccon1 ZINC000077281092 325372483 /nfs/dbraw/zinc/37/24/83/325372483.db2.gz ZAKHLFNNSYFSOB-QWHCGFSZSA-N 0 3 236.359 3.369 20 0 BGADHN C[C@H]1CCC[C@H](C)N1CCC(F)(F)F ZINC000077281530 344815052 /nfs/dbraw/zinc/81/50/52/344815052.db2.gz YYEWGLLZZCXHAO-IUCAKERBSA-N 0 3 209.255 3.202 20 0 BGADHN C[C@@H]1CCC[C@@H](C)N1CCC(F)(F)F ZINC000077281534 344815146 /nfs/dbraw/zinc/81/51/46/344815146.db2.gz YYEWGLLZZCXHAO-RKDXNWHRSA-N 0 3 209.255 3.202 20 0 BGADHN CCCCCCN(C)Cc1scnc1C ZINC000077284470 398255463 /nfs/dbraw/zinc/25/54/63/398255463.db2.gz UUIMNUDTFGYKSH-UHFFFAOYSA-N 0 3 226.389 3.464 20 0 BGADHN C[C@@H]1CCN(Cc2ccon2)[C@H]2CCCC[C@H]12 ZINC000077314649 344816261 /nfs/dbraw/zinc/81/62/61/344816261.db2.gz GIWYBZBHVWIJRZ-BNOWGMLFSA-N 0 3 234.343 3.075 20 0 BGADHN C[C@@H]1C[C@H](c2ccccc2)CN1Cc1ccon1 ZINC000077316361 191006586 /nfs/dbraw/zinc/00/65/86/191006586.db2.gz GFNHMWJANIOJML-OCCSQVGLSA-N 0 3 242.322 3.053 20 0 BGADHN C[C@H]1C[C@H](c2ccccc2)CN1Cc1ccon1 ZINC000077316362 177375508 /nfs/dbraw/zinc/37/55/08/177375508.db2.gz GFNHMWJANIOJML-JSGCOSHPSA-N 0 3 242.322 3.053 20 0 BGADHN C[C@@H]1C[C@@H](c2ccccc2)CN1Cc1ccon1 ZINC000077316363 384402761 /nfs/dbraw/zinc/40/27/61/384402761.db2.gz GFNHMWJANIOJML-TZMCWYRMSA-N 0 3 242.322 3.053 20 0 BGADHN C[C@H]1C[C@@H](c2ccccc2)CN1Cc1ccon1 ZINC000077316364 177339246 /nfs/dbraw/zinc/33/92/46/177339246.db2.gz GFNHMWJANIOJML-GXTWGEPZSA-N 0 3 242.322 3.053 20 0 BGADHN C[C@@H]1CCN(Cc2nc3ccccc3o2)[C@H](C)C1 ZINC000077319610 325374516 /nfs/dbraw/zinc/37/45/16/325374516.db2.gz CUQOIFBMNLRVQK-VXGBXAGGSA-N 0 3 244.338 3.448 20 0 BGADHN C[C@@H]1CCN(CCC(F)(F)F)[C@H](C)C1 ZINC000077319703 344816361 /nfs/dbraw/zinc/81/63/61/344816361.db2.gz AXXVUTDMLDODFF-RKDXNWHRSA-N 0 3 209.255 3.059 20 0 BGADHN Cc1ncc(CN2CC[C@H](C)C[C@@H]2C)s1 ZINC000077320881 180145934 /nfs/dbraw/zinc/14/59/34/180145934.db2.gz XFHSBPKTQHOIDF-UWVGGRQHSA-N 0 3 224.373 3.072 20 0 BGADHN Cc1ncc(CN2CC[C@@H](C)C[C@@H]2C)s1 ZINC000077320883 180142593 /nfs/dbraw/zinc/14/25/93/180142593.db2.gz XFHSBPKTQHOIDF-ZJUUUORDSA-N 0 3 224.373 3.072 20 0 BGADHN CC(C)C[C@@H]1CCCCCN1Cc1nccn1C ZINC000077364323 135063326 /nfs/dbraw/zinc/06/33/26/135063326.db2.gz RSUFNZHSMWORLJ-AWEZNQCLSA-N 0 3 249.402 3.211 20 0 BGADHN CC(C)C[C@H]1CCCCCN1Cc1nccn1C ZINC000077364324 135063648 /nfs/dbraw/zinc/06/36/48/135063648.db2.gz RSUFNZHSMWORLJ-CQSZACIVSA-N 0 3 249.402 3.211 20 0 BGADHN CC(C)C[C@@H]1CCCCCN1Cc1ccon1 ZINC000077364464 325375971 /nfs/dbraw/zinc/37/59/71/325375971.db2.gz HNRCROWUBYVCHH-AWEZNQCLSA-N 0 3 236.359 3.465 20 0 BGADHN CC(C)C[C@H]1CCCCCN1Cc1ccon1 ZINC000077364466 325376030 /nfs/dbraw/zinc/37/60/30/325376030.db2.gz HNRCROWUBYVCHH-CQSZACIVSA-N 0 3 236.359 3.465 20 0 BGADHN CC1(C)CCCN1Cc1cccc(F)c1F ZINC000077382484 325376693 /nfs/dbraw/zinc/37/66/93/325376693.db2.gz ZEWKFPLVDRAJEE-UHFFFAOYSA-N 0 3 225.282 3.339 20 0 BGADHN CC1(C)CCCN1Cc1nc2ccccc2o1 ZINC000077382605 370414794 /nfs/dbraw/zinc/41/47/94/370414794.db2.gz MIQFADQZVULZOL-UHFFFAOYSA-N 0 3 230.311 3.202 20 0 BGADHN Cc1cccn2cc(CN3CCCC3(C)C)nc12 ZINC000077382709 370414316 /nfs/dbraw/zinc/41/43/16/370414316.db2.gz KSYARKVYEDYBLG-UHFFFAOYSA-N 0 3 243.354 3.017 20 0 BGADHN CC1(C)CCCN1CCOc1ccccc1F ZINC000077382713 325376474 /nfs/dbraw/zinc/37/64/74/325376474.db2.gz IUKRFZYNVMTEMW-UHFFFAOYSA-N 0 3 237.318 3.079 20 0 BGADHN Cc1cccc2nc(CN3CCCC3(C)C)cn21 ZINC000077383047 179229935 /nfs/dbraw/zinc/22/99/35/179229935.db2.gz MEUKPRKEXYMEHD-UHFFFAOYSA-N 0 3 243.354 3.017 20 0 BGADHN Cc1ccc(C(=O)C2CCN(C(C)C)CC2)cc1 ZINC000077391436 344817610 /nfs/dbraw/zinc/81/76/10/344817610.db2.gz IXKZQGUXZZMVNQ-UHFFFAOYSA-N 0 3 245.366 3.298 20 0 BGADHN COc1c(C)cnc(CN2CCCC2(C)C)c1C ZINC000077483560 135067222 /nfs/dbraw/zinc/06/72/22/135067222.db2.gz OOMLXTCHEAVJLC-UHFFFAOYSA-N 0 3 248.370 3.081 20 0 BGADHN Cc1ccc(CNCCOc2ccccc2C)o1 ZINC000077507017 641860766 /nfs/dbraw/zinc/86/07/66/641860766.db2.gz KOCZLXAAZAKIGC-UHFFFAOYSA-N 0 3 245.322 3.065 20 0 BGADHN CC(C)(C)CC(C)(C)NCc1ccc(CO)o1 ZINC000077897878 384420954 /nfs/dbraw/zinc/42/09/54/384420954.db2.gz QIJOEFYJZHUSPR-UHFFFAOYSA-N 0 3 239.359 3.076 20 0 BGADHN c1nc(CN[C@@H]2CCC[C@H](C3CC3)C2)cs1 ZINC000077898392 135084888 /nfs/dbraw/zinc/08/48/88/135084888.db2.gz VMJHVPFQVJOWLP-NWDGAFQWSA-N 0 3 236.384 3.202 20 0 BGADHN c1nc(CN[C@H]2CCC[C@H](C3CC3)C2)cs1 ZINC000077898393 135084549 /nfs/dbraw/zinc/08/45/49/135084549.db2.gz VMJHVPFQVJOWLP-RYUDHWBXSA-N 0 3 236.384 3.202 20 0 BGADHN c1nc(CN[C@@H]2CCC[C@@H](C3CC3)C2)cs1 ZINC000077898395 135084677 /nfs/dbraw/zinc/08/46/77/135084677.db2.gz VMJHVPFQVJOWLP-VXGBXAGGSA-N 0 3 236.384 3.202 20 0 BGADHN c1nc(CN[C@H]2CCC[C@@H](C3CC3)C2)cs1 ZINC000077898398 135084272 /nfs/dbraw/zinc/08/42/72/135084272.db2.gz VMJHVPFQVJOWLP-NEPJUHHUSA-N 0 3 236.384 3.202 20 0 BGADHN Cc1ccc(C[C@@H](C)NCc2ccccn2)s1 ZINC000078003683 387917672 /nfs/dbraw/zinc/91/76/72/387917672.db2.gz UAGAEKXNHFEZAJ-LLVKDONJSA-N 0 3 246.379 3.172 20 0 BGADHN Cc1ccc(C[C@H](C)NCc2ccccn2)s1 ZINC000078003685 387917519 /nfs/dbraw/zinc/91/75/19/387917519.db2.gz UAGAEKXNHFEZAJ-NSHDSACASA-N 0 3 246.379 3.172 20 0 BGADHN FC(F)(F)CCNCc1cccc2[nH]ccc21 ZINC000078004960 135393064 /nfs/dbraw/zinc/39/30/64/135393064.db2.gz BGWIXAVTAYFEBP-UHFFFAOYSA-N 0 3 242.244 3.210 20 0 BGADHN CCSCCN(Cc1ccccc1)C1CC1 ZINC000078031231 135090758 /nfs/dbraw/zinc/09/07/58/135090758.db2.gz KRCPIZIEILXYND-UHFFFAOYSA-N 0 3 235.396 3.404 20 0 BGADHN CCSCCN(C)Cc1ccc(F)cc1 ZINC000078031258 135091268 /nfs/dbraw/zinc/09/12/68/135091268.db2.gz IHBJJCGXTGYIAQ-UHFFFAOYSA-N 0 3 227.348 3.011 20 0 BGADHN CCC1CCN(Cc2ccc(F)cc2)CC1 ZINC000078239777 344836072 /nfs/dbraw/zinc/83/60/72/344836072.db2.gz MFDWNSGONUFDJC-UHFFFAOYSA-N 0 3 221.319 3.448 20 0 BGADHN CC(C)=CCN1CC=C(c2ccc(O)cc2)CC1 ZINC000078254310 388494651 /nfs/dbraw/zinc/49/46/51/388494651.db2.gz DJTWJBHWICNYBR-UHFFFAOYSA-N 0 3 243.350 3.448 20 0 BGADHN c1nc(-c2ccccc2)sc1CN1CCCC1 ZINC000078281889 388496729 /nfs/dbraw/zinc/49/67/29/388496729.db2.gz NWMSYNPOLPOBML-UHFFFAOYSA-N 0 3 244.363 3.406 20 0 BGADHN CCC[C@@H](C)N(C)Cc1cn2cc(C)ccc2n1 ZINC000078291485 342910024 /nfs/dbraw/zinc/91/00/24/342910024.db2.gz KTIJBNZFPDOURR-CYBMUJFWSA-N 0 3 245.370 3.263 20 0 BGADHN CCC[C@H](C)N(C)Cc1cn2cc(C)ccc2n1 ZINC000078291490 370548740 /nfs/dbraw/zinc/54/87/40/370548740.db2.gz KTIJBNZFPDOURR-ZDUSSCGKSA-N 0 3 245.370 3.263 20 0 BGADHN CC(C)[C@H](O)CCNc1ccnc2ccccc21 ZINC000078342044 344850596 /nfs/dbraw/zinc/85/05/96/344850596.db2.gz IUYLXZOYYPNFTP-OAHLLOKOSA-N 0 3 244.338 3.054 20 0 BGADHN CC(C)[C@@H](O)CCNc1ccnc2ccccc21 ZINC000078342046 344850786 /nfs/dbraw/zinc/85/07/86/344850786.db2.gz IUYLXZOYYPNFTP-HNNXBMFYSA-N 0 3 244.338 3.054 20 0 BGADHN C[C@@H]1CN([C@@H]2CCCc3ccccc32)C[C@H](C)O1 ZINC000078372433 388498459 /nfs/dbraw/zinc/49/84/59/388498459.db2.gz RQHYCIDEEHQCCJ-DVOMOZLQSA-N 0 3 245.366 3.173 20 0 BGADHN CC1(C)[C@@H]2CN(c3ccnc4ccccc43)C[C@@H]21 ZINC000078411942 344863380 /nfs/dbraw/zinc/86/33/80/344863380.db2.gz QRJOMSRWBLHUNR-BETUJISGSA-N 0 3 238.334 3.327 20 0 BGADHN CCCN(Cc1ccccc1)Cc1ccccn1 ZINC000078426650 344867579 /nfs/dbraw/zinc/86/75/79/344867579.db2.gz HOIKRDKKDXRATG-UHFFFAOYSA-N 0 3 240.350 3.494 20 0 BGADHN CCCN(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000078447940 410280202 /nfs/dbraw/zinc/28/02/02/410280202.db2.gz SEOCOLHNNGSRMY-VIFPVBQESA-N 0 3 213.271 3.368 20 0 BGADHN CCCN(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000078447944 410280038 /nfs/dbraw/zinc/28/00/38/410280038.db2.gz SEOCOLHNNGSRMY-SECBINFHSA-N 0 3 213.271 3.368 20 0 BGADHN Cc1cc([C@@H]2CCCN2CC2CCCC2)no1 ZINC000078449552 641925215 /nfs/dbraw/zinc/92/52/15/641925215.db2.gz LPXFYQHXLQKZDC-AWEZNQCLSA-N 0 3 234.343 3.310 20 0 BGADHN Cc1cc([C@H]2CCCN2CC2CCCC2)no1 ZINC000078449556 641925731 /nfs/dbraw/zinc/92/57/31/641925731.db2.gz LPXFYQHXLQKZDC-CQSZACIVSA-N 0 3 234.343 3.310 20 0 BGADHN Cc1nc(CN[C@@H]2CC[C@H](C)C[C@@H]2C)cs1 ZINC000078463656 135124716 /nfs/dbraw/zinc/12/47/16/135124716.db2.gz IRMSNKYPNHTKFY-OUJBWJOFSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1nc(CN[C@@H]2CC[C@@H](C)C[C@@H]2C)cs1 ZINC000078463672 135124509 /nfs/dbraw/zinc/12/45/09/135124509.db2.gz IRMSNKYPNHTKFY-GBIKHYSHSA-N 0 3 238.400 3.366 20 0 BGADHN C[C@@H]1CC[C@H](NCc2cscn2)[C@H](C)C1 ZINC000078464381 176233549 /nfs/dbraw/zinc/23/35/49/176233549.db2.gz SFCAROKPJMEBOG-FOGDFJRCSA-N 0 3 224.373 3.057 20 0 BGADHN C[C@@H]1CC[C@@H](NCc2cscn2)[C@H](C)C1 ZINC000078464388 176213420 /nfs/dbraw/zinc/21/34/20/176213420.db2.gz SFCAROKPJMEBOG-CKYFFXLPSA-N 0 3 224.373 3.057 20 0 BGADHN C[C@@H]1CC[C@H](NCc2nccs2)[C@H](C)C1 ZINC000078464533 176233619 /nfs/dbraw/zinc/23/36/19/176233619.db2.gz MMTVWVDNWJLEOR-MXWKQRLJSA-N 0 3 224.373 3.057 20 0 BGADHN C[C@@H]1CC[C@@H](NCc2nccs2)[C@H](C)C1 ZINC000078464549 176213461 /nfs/dbraw/zinc/21/34/61/176213461.db2.gz MMTVWVDNWJLEOR-GMTAPVOTSA-N 0 3 224.373 3.057 20 0 BGADHN CCn1ccnc1CN(CC(C)C)CC(C)C ZINC000078467497 135124894 /nfs/dbraw/zinc/12/48/94/135124894.db2.gz UEQPVUIAEXBRHM-UHFFFAOYSA-N 0 3 237.391 3.017 20 0 BGADHN COC(C)(C)CNc1cc(C)nc2ccccc21 ZINC000078471232 135125589 /nfs/dbraw/zinc/12/55/89/135125589.db2.gz RGYYOPIGKXINMS-UHFFFAOYSA-N 0 3 244.338 3.380 20 0 BGADHN COC(C)(C)CNc1ccnc2ccccc21 ZINC000078471663 135125694 /nfs/dbraw/zinc/12/56/94/135125694.db2.gz OMWUCEHWOCIREH-UHFFFAOYSA-N 0 3 230.311 3.072 20 0 BGADHN CCC(CC)C(=O)Nc1ccc(CN(C)C)cc1 ZINC000078473256 344872680 /nfs/dbraw/zinc/87/26/80/344872680.db2.gz VTSSAMBRULKBQD-UHFFFAOYSA-N 0 3 248.370 3.123 20 0 BGADHN Cc1ccc2nc(CN3CCCCCC3)cn2c1 ZINC000078486018 384448286 /nfs/dbraw/zinc/44/82/86/384448286.db2.gz BZICGNPQLFNTGT-UHFFFAOYSA-N 0 3 243.354 3.019 20 0 BGADHN CCCN(CC(=O)Nc1ccccc1C)C(C)C ZINC000078491616 169096708 /nfs/dbraw/zinc/09/67/08/169096708.db2.gz CWLZOWBECKBBKQ-UHFFFAOYSA-N 0 3 248.370 3.054 20 0 BGADHN Cc1cc(N[C@@H]2CCSC2)c2ccccc2n1 ZINC000078500761 325420635 /nfs/dbraw/zinc/42/06/35/325420635.db2.gz KZMOQUSDLMJFOM-LLVKDONJSA-N 0 3 244.363 3.461 20 0 BGADHN Cc1cc(N[C@H]2CCSC2)c2ccccc2n1 ZINC000078500763 325420452 /nfs/dbraw/zinc/42/04/52/325420452.db2.gz KZMOQUSDLMJFOM-NSHDSACASA-N 0 3 244.363 3.461 20 0 BGADHN c1ccc2c(c1)nccc2N[C@@H]1CCSC1 ZINC000078501929 410070558 /nfs/dbraw/zinc/07/05/58/410070558.db2.gz GSKNHVXDMMOPCE-SNVBAGLBSA-N 0 3 230.336 3.152 20 0 BGADHN c1ccc2c(c1)nccc2N[C@H]1CCSC1 ZINC000078501936 410070868 /nfs/dbraw/zinc/07/08/68/410070868.db2.gz GSKNHVXDMMOPCE-JTQLQIEISA-N 0 3 230.336 3.152 20 0 BGADHN c1ccc2c(c1)nccc2NCCOC1CCC1 ZINC000078517160 641931338 /nfs/dbraw/zinc/93/13/38/641931338.db2.gz RXLCNHJJKBRAOZ-UHFFFAOYSA-N 0 3 242.322 3.216 20 0 BGADHN Fc1ccc([C@@H]2CCCN2C[C@@H]2CCCO2)cc1 ZINC000078529644 344880531 /nfs/dbraw/zinc/88/05/31/344880531.db2.gz LVQFYERGEKADJD-GJZGRUSLSA-N 0 3 249.329 3.142 20 0 BGADHN Fc1ccc([C@H]2CCCN2C[C@@H]2CCCO2)cc1 ZINC000078529647 344880547 /nfs/dbraw/zinc/88/05/47/344880547.db2.gz LVQFYERGEKADJD-LSDHHAIUSA-N 0 3 249.329 3.142 20 0 BGADHN COCc1ccc(CNCc2ccccc2)cc1 ZINC000078543785 536777993 /nfs/dbraw/zinc/77/79/93/536777993.db2.gz ANANIXMAMROZEF-UHFFFAOYSA-N 0 3 241.334 3.123 20 0 BGADHN Cc1ccc([C@@H](C)N(C)C[C@@H]2CCCO2)cc1 ZINC000078561896 344099420 /nfs/dbraw/zinc/09/94/20/344099420.db2.gz DJTGIKIDAQZBNS-HIFRSBDPSA-N 0 3 233.355 3.167 20 0 BGADHN Cc1ccc([C@H](C)N(C)C[C@@H]2CCCO2)cc1 ZINC000078561904 344883036 /nfs/dbraw/zinc/88/30/36/344883036.db2.gz DJTGIKIDAQZBNS-ZFWWWQNUSA-N 0 3 233.355 3.167 20 0 BGADHN CC1(C)CCN(c2ccnc3ccccc32)C1 ZINC000078562195 344883456 /nfs/dbraw/zinc/88/34/56/344883456.db2.gz PEDOSESIGSHDTQ-UHFFFAOYSA-N 0 3 226.323 3.471 20 0 BGADHN CCC(C)(C)NCc1cc(F)ccc1OC ZINC000078640092 343371682 /nfs/dbraw/zinc/37/16/82/343371682.db2.gz SHZWMYOROKFSBV-UHFFFAOYSA-N 0 3 225.307 3.113 20 0 BGADHN CC(C)(CCO)CNc1ccnc2ccccc21 ZINC000078688992 187619712 /nfs/dbraw/zinc/61/97/12/187619712.db2.gz XXGJDWKMTRDFMX-UHFFFAOYSA-N 0 3 244.338 3.055 20 0 BGADHN C[C@@H](c1ccccc1)N(C)Cc1ccncc1 ZINC000078720824 176021133 /nfs/dbraw/zinc/02/11/33/176021133.db2.gz DGFQTQBDDWPGLI-ZDUSSCGKSA-N 0 3 226.323 3.275 20 0 BGADHN C[C@H](c1ccccc1)N(C)Cc1ccncc1 ZINC000078720825 177038475 /nfs/dbraw/zinc/03/84/75/177038475.db2.gz DGFQTQBDDWPGLI-CYBMUJFWSA-N 0 3 226.323 3.275 20 0 BGADHN CCCCCN1CCN(c2cccc(C)c2)CC1 ZINC000078774749 388685099 /nfs/dbraw/zinc/68/50/99/388685099.db2.gz DAWHRKUXTXGHOD-UHFFFAOYSA-N 0 3 246.398 3.307 20 0 BGADHN CCCCCN1CCN(CCC(C)(C)C)CC1 ZINC000078774934 388685052 /nfs/dbraw/zinc/68/50/52/388685052.db2.gz TWEXDKXLLWMJDF-UHFFFAOYSA-N 0 3 240.435 3.230 20 0 BGADHN Cc1ccc(-c2nc(CNC(C)C)co2)cc1 ZINC000078784142 178335410 /nfs/dbraw/zinc/33/54/10/178335410.db2.gz XLZNTMJKVXYHID-UHFFFAOYSA-N 0 3 230.311 3.148 20 0 BGADHN Cc1ccc(-c2nc(CNCC(C)C)co2)cc1 ZINC000078792239 631349871 /nfs/dbraw/zinc/34/98/71/631349871.db2.gz VRCROKZZYZLYKK-UHFFFAOYSA-N 0 3 244.338 3.396 20 0 BGADHN COc1ccc(CN2CCC[C@@H](C)C2)cc1F ZINC000078822120 387324441 /nfs/dbraw/zinc/32/44/41/387324441.db2.gz RCSLGRFFYMHABB-LLVKDONJSA-N 0 3 237.318 3.066 20 0 BGADHN COc1ccc(CN2CCC[C@H](C)C2)cc1F ZINC000078822132 175099488 /nfs/dbraw/zinc/09/94/88/175099488.db2.gz RCSLGRFFYMHABB-NSHDSACASA-N 0 3 237.318 3.066 20 0 BGADHN Cc1csc(CN[C@@H]2CCC[C@H](C)[C@@H]2C)n1 ZINC000079055049 135267825 /nfs/dbraw/zinc/26/78/25/135267825.db2.gz YDMVZUUSIGNLNM-ZMLRMANQSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1csc(CN[C@@H]2CCC[C@@H](C)[C@@H]2C)n1 ZINC000079055055 384532719 /nfs/dbraw/zinc/53/27/19/384532719.db2.gz YDMVZUUSIGNLNM-ADEWGFFLSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1csc(CNC[C@@H]2CCC[C@H](C)C2)n1 ZINC000079055150 135268003 /nfs/dbraw/zinc/26/80/03/135268003.db2.gz ZXKSPUDXGRJRFJ-CMPLNLGQSA-N 0 3 238.400 3.367 20 0 BGADHN Cc1csc(CNC[C@H]2CCC[C@H](C)C2)n1 ZINC000079055154 135268041 /nfs/dbraw/zinc/26/80/41/135268041.db2.gz ZXKSPUDXGRJRFJ-JQWIXIFHSA-N 0 3 238.400 3.367 20 0 BGADHN Cc1csc(CNC[C@@H]2CCC[C@@H](C)C2)n1 ZINC000079055161 135267991 /nfs/dbraw/zinc/26/79/91/135267991.db2.gz ZXKSPUDXGRJRFJ-ZYHUDNBSSA-N 0 3 238.400 3.367 20 0 BGADHN Cc1csc(CNC[C@H]2CCC[C@@H](C)C2)n1 ZINC000079055166 135268043 /nfs/dbraw/zinc/26/80/43/135268043.db2.gz ZXKSPUDXGRJRFJ-PWSUYJOCSA-N 0 3 238.400 3.367 20 0 BGADHN Cc1csc(CNCC2CCC(C)CC2)n1 ZINC000079055173 135268210 /nfs/dbraw/zinc/26/82/10/135268210.db2.gz RHBUGQFRUJTGOM-UHFFFAOYSA-N 0 3 238.400 3.367 20 0 BGADHN Cc1csc(CN[C@@H]2CC[C@H](C)C[C@@H]2C)n1 ZINC000079055296 135268054 /nfs/dbraw/zinc/26/80/54/135268054.db2.gz DIYQHVWBIBGYSJ-JBLDHEPKSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1csc(CN[C@@H]2CC[C@@H](C)C[C@@H]2C)n1 ZINC000079055307 135267960 /nfs/dbraw/zinc/26/79/60/135267960.db2.gz DIYQHVWBIBGYSJ-JFGNBEQYSA-N 0 3 238.400 3.366 20 0 BGADHN CCN1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000079076272 388691789 /nfs/dbraw/zinc/69/17/89/388691789.db2.gz DEIHUNCVILTVTO-GFCCVEGCSA-N 0 3 209.720 3.497 20 0 BGADHN CCN1CCC[C@H]1c1ccc(Cl)cc1 ZINC000079076278 388691878 /nfs/dbraw/zinc/69/18/78/388691878.db2.gz DEIHUNCVILTVTO-LBPRGKRZSA-N 0 3 209.720 3.497 20 0 BGADHN CC(C)CCN(Cc1ccco1)C1CC1 ZINC000079085223 487576294 /nfs/dbraw/zinc/57/62/94/487576294.db2.gz VBJBDIFIXOKUIP-UHFFFAOYSA-N 0 3 207.317 3.290 20 0 BGADHN CC(C)Oc1ccccc1CN1CCCCC1 ZINC000079184263 535060029 /nfs/dbraw/zinc/06/00/29/535060029.db2.gz JPARSWIWVUNYLI-UHFFFAOYSA-N 0 3 233.355 3.460 20 0 BGADHN CC(C)=CCN1CCN(CCC(C)(C)C)CC1 ZINC000079216132 370632940 /nfs/dbraw/zinc/63/29/40/370632940.db2.gz KWYBBMDHTQWRTM-UHFFFAOYSA-N 0 3 238.419 3.006 20 0 BGADHN Cc1ccc(NC(=O)C(C)C(F)(F)F)c(F)c1 ZINC000079348708 344958407 /nfs/dbraw/zinc/95/84/07/344958407.db2.gz FENYPIRFGDEUPO-SSDOTTSWSA-N 0 3 249.207 3.271 20 0 BGADHN Cc1ccc(NC(=O)C(C)C(F)(F)F)c(F)c1 ZINC000079348710 398136721 /nfs/dbraw/zinc/13/67/21/398136721.db2.gz FENYPIRFGDEUPO-ZETCQYMHSA-N 0 3 249.207 3.271 20 0 BGADHN Cc1ccc(F)c(NC(=O)C(C)C(F)(F)F)c1 ZINC000079349002 344958394 /nfs/dbraw/zinc/95/83/94/344958394.db2.gz GCLAVJTUIBARDV-SSDOTTSWSA-N 0 3 249.207 3.271 20 0 BGADHN Cc1ccc(F)c(NC(=O)C(C)C(F)(F)F)c1 ZINC000079349004 344958283 /nfs/dbraw/zinc/95/82/83/344958283.db2.gz GCLAVJTUIBARDV-ZETCQYMHSA-N 0 3 249.207 3.271 20 0 BGADHN CCCCOCCN(CC)Cc1cccs1 ZINC000079387448 344963600 /nfs/dbraw/zinc/96/36/00/344963600.db2.gz CHVNUIMLDTXGOQ-UHFFFAOYSA-N 0 3 241.400 3.387 20 0 BGADHN Cc1cccc([C@@H]2CCCN2Cc2ccno2)c1 ZINC000079392776 344111951 /nfs/dbraw/zinc/11/19/51/344111951.db2.gz SDBLWGMNUZTKCX-HNNXBMFYSA-N 0 3 242.322 3.320 20 0 BGADHN Cc1cccc([C@H]2CCCN2Cc2ccno2)c1 ZINC000079392778 344962417 /nfs/dbraw/zinc/96/24/17/344962417.db2.gz SDBLWGMNUZTKCX-OAHLLOKOSA-N 0 3 242.322 3.320 20 0 BGADHN C[C@@H](c1cccc(F)c1)N1CCCCC1 ZINC000079482551 388535871 /nfs/dbraw/zinc/53/58/71/388535871.db2.gz DDRJFKQBNNWYLL-NSHDSACASA-N 0 3 207.292 3.373 20 0 BGADHN C[C@H](c1cccc(F)c1)N1CCCCC1 ZINC000079482555 325455220 /nfs/dbraw/zinc/45/52/20/325455220.db2.gz DDRJFKQBNNWYLL-LLVKDONJSA-N 0 3 207.292 3.373 20 0 BGADHN c1cc(CN2CC=C(c3ccccc3)CC2)c[nH]1 ZINC000079510488 135328082 /nfs/dbraw/zinc/32/80/82/135328082.db2.gz KEBPUFLMEOWDLT-UHFFFAOYSA-N 0 3 238.334 3.304 20 0 BGADHN COc1ncccc1CNC1CCC(C)(C)CC1 ZINC000079626940 135397476 /nfs/dbraw/zinc/39/74/76/135397476.db2.gz KVJRVHLMWVGDFL-UHFFFAOYSA-N 0 3 248.370 3.149 20 0 BGADHN C[C@H](NC1CCC(C)(C)CC1)c1cnccn1 ZINC000079676061 384508447 /nfs/dbraw/zinc/50/84/47/384508447.db2.gz ZYYLLKNLMITZMU-NSHDSACASA-N 0 3 233.359 3.096 20 0 BGADHN C[C@@H](NC1CCC(C)(C)CC1)c1cnccn1 ZINC000079676064 384509796 /nfs/dbraw/zinc/50/97/96/384509796.db2.gz ZYYLLKNLMITZMU-LLVKDONJSA-N 0 3 233.359 3.096 20 0 BGADHN C[C@H](NC1CCC(C)(C)CC1)c1nccn1C ZINC000079676630 135344284 /nfs/dbraw/zinc/34/42/84/135344284.db2.gz LELLDDKCSSIXQH-NSHDSACASA-N 0 3 235.375 3.040 20 0 BGADHN C[C@@H](NC1CCC(C)(C)CC1)c1nccn1C ZINC000079676635 135344157 /nfs/dbraw/zinc/34/41/57/135344157.db2.gz LELLDDKCSSIXQH-LLVKDONJSA-N 0 3 235.375 3.040 20 0 BGADHN COc1cccc(CNC2CCC(C)(C)CC2)n1 ZINC000079678669 135397565 /nfs/dbraw/zinc/39/75/65/135397565.db2.gz BRJXMXAGQQPSEG-UHFFFAOYSA-N 0 3 248.370 3.149 20 0 BGADHN CC[C@@H](COC)N[C@@H](C)c1cc(F)ccc1F ZINC000079708045 387955093 /nfs/dbraw/zinc/95/50/93/387955093.db2.gz BSPPHZCCZBHNIW-ONGXEEELSA-N 0 3 243.297 3.040 20 0 BGADHN CC[C@H](COC)N[C@@H](C)c1cc(F)ccc1F ZINC000079708051 387954220 /nfs/dbraw/zinc/95/42/20/387954220.db2.gz BSPPHZCCZBHNIW-GXSJLCMTSA-N 0 3 243.297 3.040 20 0 BGADHN CC[C@@H](COC)N[C@H](C)c1cc(F)ccc1F ZINC000079708056 387954484 /nfs/dbraw/zinc/95/44/84/387954484.db2.gz BSPPHZCCZBHNIW-KOLCDFICSA-N 0 3 243.297 3.040 20 0 BGADHN CC[C@H](COC)N[C@H](C)c1cc(F)ccc1F ZINC000079708058 384507919 /nfs/dbraw/zinc/50/79/19/384507919.db2.gz BSPPHZCCZBHNIW-MWLCHTKSSA-N 0 3 243.297 3.040 20 0 BGADHN CC[C@@H](COC)N[C@@H](C)c1ccc(F)cc1F ZINC000079708457 387954464 /nfs/dbraw/zinc/95/44/64/387954464.db2.gz WOWWQQGCYMICDM-ONGXEEELSA-N 0 3 243.297 3.040 20 0 BGADHN CC[C@H](COC)N[C@@H](C)c1ccc(F)cc1F ZINC000079708461 387955029 /nfs/dbraw/zinc/95/50/29/387955029.db2.gz WOWWQQGCYMICDM-GXSJLCMTSA-N 0 3 243.297 3.040 20 0 BGADHN CC[C@@H](COC)N[C@H](C)c1ccc(F)cc1F ZINC000079708465 387955336 /nfs/dbraw/zinc/95/53/36/387955336.db2.gz WOWWQQGCYMICDM-KOLCDFICSA-N 0 3 243.297 3.040 20 0 BGADHN CC[C@H](COC)N[C@H](C)c1ccc(F)cc1F ZINC000079708468 387954900 /nfs/dbraw/zinc/95/49/00/387954900.db2.gz WOWWQQGCYMICDM-MWLCHTKSSA-N 0 3 243.297 3.040 20 0 BGADHN CC[C@@H](COC)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000079708481 387954194 /nfs/dbraw/zinc/95/41/94/387954194.db2.gz WMTKRKFYICTNEW-ONGXEEELSA-N 0 3 243.297 3.040 20 0 BGADHN CC[C@H](COC)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000079708485 398180743 /nfs/dbraw/zinc/18/07/43/398180743.db2.gz WMTKRKFYICTNEW-GXSJLCMTSA-N 0 3 243.297 3.040 20 0 BGADHN CC[C@@H](COC)N[C@H](C)c1ccc(F)c(F)c1 ZINC000079708488 398180396 /nfs/dbraw/zinc/18/03/96/398180396.db2.gz WMTKRKFYICTNEW-KOLCDFICSA-N 0 3 243.297 3.040 20 0 BGADHN CC[C@H](COC)N[C@H](C)c1ccc(F)c(F)c1 ZINC000079708494 398180807 /nfs/dbraw/zinc/18/08/07/398180807.db2.gz WMTKRKFYICTNEW-MWLCHTKSSA-N 0 3 243.297 3.040 20 0 BGADHN CC[C@@H](COC)Nc1ccnc2ccccc21 ZINC000079745474 387958550 /nfs/dbraw/zinc/95/85/50/387958550.db2.gz YVTKNKBLWLNTDY-NSHDSACASA-N 0 3 230.311 3.072 20 0 BGADHN CC[C@H](COC)Nc1ccnc2ccccc21 ZINC000079745479 387959214 /nfs/dbraw/zinc/95/92/14/387959214.db2.gz YVTKNKBLWLNTDY-LLVKDONJSA-N 0 3 230.311 3.072 20 0 BGADHN Cc1ccc2nc(CN(C(C)C)C3CC3)cn2c1 ZINC000079872295 388548168 /nfs/dbraw/zinc/54/81/68/388548168.db2.gz GXBMLSXNGFKPFM-UHFFFAOYSA-N 0 3 243.354 3.016 20 0 BGADHN CCN(C)Cc1cccc(OCC(F)(F)F)c1 ZINC000079888319 384518276 /nfs/dbraw/zinc/51/82/76/384518276.db2.gz NEPGVXKOWUAPOY-UHFFFAOYSA-N 0 3 247.260 3.079 20 0 BGADHN CN(Cc1ccccc1OC(F)F)CC1CC1 ZINC000079905020 388549132 /nfs/dbraw/zinc/54/91/32/388549132.db2.gz ZEIZPPZVIPRXLD-UHFFFAOYSA-N 0 3 241.281 3.130 20 0 BGADHN Cc1cccc(N(C)C(=O)C(C)C(F)(F)F)c1 ZINC000079940483 345061268 /nfs/dbraw/zinc/06/12/68/345061268.db2.gz DXDWBXLEPNRPIX-SECBINFHSA-N 0 3 245.244 3.156 20 0 BGADHN Cc1cccc(N(C)C(=O)C(C)C(F)(F)F)c1 ZINC000079940484 345061127 /nfs/dbraw/zinc/06/11/27/345061127.db2.gz DXDWBXLEPNRPIX-VIFPVBQESA-N 0 3 245.244 3.156 20 0 BGADHN Fc1cccc([C@@H]2CCCN2C[C@@H]2CCCO2)c1 ZINC000079943415 345062531 /nfs/dbraw/zinc/06/25/31/345062531.db2.gz RVKVQOGMDJQBEF-GJZGRUSLSA-N 0 3 249.329 3.142 20 0 BGADHN Fc1cccc([C@H]2CCCN2C[C@@H]2CCCO2)c1 ZINC000079943419 345062562 /nfs/dbraw/zinc/06/25/62/345062562.db2.gz RVKVQOGMDJQBEF-LSDHHAIUSA-N 0 3 249.329 3.142 20 0 BGADHN CC1(C)CN([C@@H]2CCCc3ccccc32)CCO1 ZINC000079965326 135364756 /nfs/dbraw/zinc/36/47/56/135364756.db2.gz FIDPHVZRJOCAED-OAHLLOKOSA-N 0 3 245.366 3.175 20 0 BGADHN CC1(C)CN([C@H]2CCCc3ccccc32)CCO1 ZINC000079965329 135365057 /nfs/dbraw/zinc/36/50/57/135365057.db2.gz FIDPHVZRJOCAED-HNNXBMFYSA-N 0 3 245.366 3.175 20 0 BGADHN COc1ncccc1CN[C@H]1CCCC(C)(C)C1 ZINC000079977469 135398300 /nfs/dbraw/zinc/39/83/00/135398300.db2.gz VDFKVCUTEBZIQR-ZDUSSCGKSA-N 0 3 248.370 3.149 20 0 BGADHN COc1ncccc1CN[C@@H]1CCCC(C)(C)C1 ZINC000079977474 135398118 /nfs/dbraw/zinc/39/81/18/135398118.db2.gz VDFKVCUTEBZIQR-CYBMUJFWSA-N 0 3 248.370 3.149 20 0 BGADHN Cc1cc(NC(=O)C(C)C(F)(F)F)ccc1F ZINC000080003290 345076574 /nfs/dbraw/zinc/07/65/74/345076574.db2.gz WPVSJDJHZZYPLS-SSDOTTSWSA-N 0 3 249.207 3.271 20 0 BGADHN Cc1cc(NC(=O)C(C)C(F)(F)F)ccc1F ZINC000080003292 345076594 /nfs/dbraw/zinc/07/65/94/345076594.db2.gz WPVSJDJHZZYPLS-ZETCQYMHSA-N 0 3 249.207 3.271 20 0 BGADHN c1c[nH]c([C@H]2CCCN2Cc2ccccc2)c1 ZINC000080026142 136375172 /nfs/dbraw/zinc/37/51/72/136375172.db2.gz BZFPXWSHULBCCD-OAHLLOKOSA-N 0 3 226.323 3.352 20 0 BGADHN c1c[nH]c([C@@H]2CCCN2Cc2ccccc2)c1 ZINC000080026145 136374935 /nfs/dbraw/zinc/37/49/35/136374935.db2.gz BZFPXWSHULBCCD-HNNXBMFYSA-N 0 3 226.323 3.352 20 0 BGADHN CCN1CCC[C@@H]1c1cccc(Cl)c1 ZINC000080041408 388705383 /nfs/dbraw/zinc/70/53/83/388705383.db2.gz QIVFWWYRGPEQLD-GFCCVEGCSA-N 0 3 209.720 3.497 20 0 BGADHN CCN1CCC[C@H]1c1cccc(Cl)c1 ZINC000080041413 388705105 /nfs/dbraw/zinc/70/51/05/388705105.db2.gz QIVFWWYRGPEQLD-LBPRGKRZSA-N 0 3 209.720 3.497 20 0 BGADHN CC(C)OCCN(C)Cc1cc2ccccc2o1 ZINC000080076604 135365692 /nfs/dbraw/zinc/36/56/92/135365692.db2.gz TVKRNGNQBSHAJV-UHFFFAOYSA-N 0 3 247.338 3.290 20 0 BGADHN Fc1ccc(CN[C@H]2CC=CCC2)c(F)c1 ZINC000080123236 384531891 /nfs/dbraw/zinc/53/18/91/384531891.db2.gz OPTJDJYVNYPWED-LBPRGKRZSA-N 0 3 223.266 3.163 20 0 BGADHN Fc1ccc(CN[C@@H]2CC=CCC2)c(F)c1 ZINC000080123240 384532239 /nfs/dbraw/zinc/53/22/39/384532239.db2.gz OPTJDJYVNYPWED-GFCCVEGCSA-N 0 3 223.266 3.163 20 0 BGADHN Fc1ccccc1CN[C@H]1CC=CCC1 ZINC000080123486 181012418 /nfs/dbraw/zinc/01/24/18/181012418.db2.gz BHKVBGNSFCJMSM-LBPRGKRZSA-N 0 3 205.276 3.024 20 0 BGADHN Fc1ccccc1CN[C@@H]1CC=CCC1 ZINC000080123492 181013125 /nfs/dbraw/zinc/01/31/25/181013125.db2.gz BHKVBGNSFCJMSM-GFCCVEGCSA-N 0 3 205.276 3.024 20 0 BGADHN Fc1cccc(F)c1CN[C@H]1CC=CCC1 ZINC000080123534 181000097 /nfs/dbraw/zinc/00/00/97/181000097.db2.gz USRSDULXHHLRRV-JTQLQIEISA-N 0 3 223.266 3.163 20 0 BGADHN Fc1cccc(F)c1CN[C@@H]1CC=CCC1 ZINC000080123540 384532571 /nfs/dbraw/zinc/53/25/71/384532571.db2.gz USRSDULXHHLRRV-SNVBAGLBSA-N 0 3 223.266 3.163 20 0 BGADHN Fc1cccc(CN[C@H]2CC=CCC2)c1F ZINC000080123706 384531612 /nfs/dbraw/zinc/53/16/12/384531612.db2.gz WYOVOYZOOISLKR-NSHDSACASA-N 0 3 223.266 3.163 20 0 BGADHN Fc1cccc(CN[C@@H]2CC=CCC2)c1F ZINC000080123711 180998279 /nfs/dbraw/zinc/99/82/79/180998279.db2.gz WYOVOYZOOISLKR-LLVKDONJSA-N 0 3 223.266 3.163 20 0 BGADHN Fc1ccc(F)c(CN[C@H]2CC=CCC2)c1 ZINC000080123908 384531936 /nfs/dbraw/zinc/53/19/36/384531936.db2.gz UIZGNPAVAWGHCD-LBPRGKRZSA-N 0 3 223.266 3.163 20 0 BGADHN Fc1ccc(F)c(CN[C@@H]2CC=CCC2)c1 ZINC000080123913 384530606 /nfs/dbraw/zinc/53/06/06/384530606.db2.gz UIZGNPAVAWGHCD-GFCCVEGCSA-N 0 3 223.266 3.163 20 0 BGADHN Clc1ccc(CN[C@H]2CC=CCC2)o1 ZINC000080124215 135367280 /nfs/dbraw/zinc/36/72/80/135367280.db2.gz GUDLZSLUYXNZEW-VIFPVBQESA-N 0 3 211.692 3.131 20 0 BGADHN Clc1ccc(CN[C@@H]2CC=CCC2)o1 ZINC000080124220 135367625 /nfs/dbraw/zinc/36/76/25/135367625.db2.gz GUDLZSLUYXNZEW-SECBINFHSA-N 0 3 211.692 3.131 20 0 BGADHN Cc1ccccc1[C@@H]1CCCN1Cc1ccno1 ZINC000080134563 345103435 /nfs/dbraw/zinc/10/34/35/345103435.db2.gz IJMSWCKLNNEKQR-HNNXBMFYSA-N 0 3 242.322 3.320 20 0 BGADHN Cc1ccccc1[C@H]1CCCN1Cc1ccno1 ZINC000080134567 345103524 /nfs/dbraw/zinc/10/35/24/345103524.db2.gz IJMSWCKLNNEKQR-OAHLLOKOSA-N 0 3 242.322 3.320 20 0 BGADHN COc1cccc(Cl)c1CNC1CC(C)C1 ZINC000080249556 135368129 /nfs/dbraw/zinc/36/81/29/135368129.db2.gz VCALNQGXZYWODP-UHFFFAOYSA-N 0 3 239.746 3.237 20 0 BGADHN CC1CC(NCc2ccc3ccccc3n2)C1 ZINC000080249789 135368405 /nfs/dbraw/zinc/36/84/05/135368405.db2.gz DMEIWVNKTPJVHQ-UHFFFAOYSA-N 0 3 226.323 3.123 20 0 BGADHN CC[C@H](NCC1CCCC1)c1nccs1 ZINC000080257211 135402019 /nfs/dbraw/zinc/40/20/19/135402019.db2.gz YVVWWWHOWRFBDJ-NSHDSACASA-N 0 3 224.373 3.374 20 0 BGADHN CC[C@@H](NCC1CCCC1)c1nccs1 ZINC000080257216 384163050 /nfs/dbraw/zinc/16/30/50/384163050.db2.gz YVVWWWHOWRFBDJ-LLVKDONJSA-N 0 3 224.373 3.374 20 0 BGADHN CC[C@H](NCCc1ccccc1)c1nccs1 ZINC000080261267 535906146 /nfs/dbraw/zinc/90/61/46/535906146.db2.gz DIJQRYHVGNOXRY-ZDUSSCGKSA-N 0 3 246.379 3.427 20 0 BGADHN CC[C@@H](NCCc1ccccc1)c1nccs1 ZINC000080261272 135368316 /nfs/dbraw/zinc/36/83/16/135368316.db2.gz DIJQRYHVGNOXRY-CYBMUJFWSA-N 0 3 246.379 3.427 20 0 BGADHN C[C@H](NCCCc1ccccc1)c1nccs1 ZINC000080265039 384541844 /nfs/dbraw/zinc/54/18/44/384541844.db2.gz AXYJJJWBQVKKCM-LBPRGKRZSA-N 0 3 246.379 3.427 20 0 BGADHN C[C@@H](NCCCc1ccccc1)c1nccs1 ZINC000080265041 384542632 /nfs/dbraw/zinc/54/26/32/384542632.db2.gz AXYJJJWBQVKKCM-GFCCVEGCSA-N 0 3 246.379 3.427 20 0 BGADHN Cc1csc([C@@H](C)NCCc2ccccc2)n1 ZINC000080273160 135368179 /nfs/dbraw/zinc/36/81/79/135368179.db2.gz CCYVVMBLOIRCSH-GFCCVEGCSA-N 0 3 246.379 3.345 20 0 BGADHN Cc1csc([C@H](C)NCCc2ccccc2)n1 ZINC000080273163 135368439 /nfs/dbraw/zinc/36/84/39/135368439.db2.gz CCYVVMBLOIRCSH-LBPRGKRZSA-N 0 3 246.379 3.345 20 0 BGADHN CCCOc1cccc(CN2CCCCC2)c1 ZINC000080299962 345143462 /nfs/dbraw/zinc/14/34/62/345143462.db2.gz KGIZMMVKXUWHOQ-UHFFFAOYSA-N 0 3 233.355 3.461 20 0 BGADHN CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H](C)N ZINC000080310098 384547200 /nfs/dbraw/zinc/54/72/00/384547200.db2.gz SQTBOBXCXCGIFV-LLVKDONJSA-N 0 3 248.370 3.219 20 0 BGADHN C[C@@H]1CC[C@H](Nc2cccc(CN(C)C)c2)C1 ZINC000080433228 176235076 /nfs/dbraw/zinc/23/50/76/176235076.db2.gz ZREBROMQUWYUGK-DOMZBBRYSA-N 0 3 232.371 3.349 20 0 BGADHN C[C@H]1CC[C@H](Nc2cccc(CN(C)C)c2)C1 ZINC000080433236 177205357 /nfs/dbraw/zinc/20/53/57/177205357.db2.gz ZREBROMQUWYUGK-WFASDCNBSA-N 0 3 232.371 3.349 20 0 BGADHN C[C@@H]1CC[C@@H](Nc2cccc(CN(C)C)c2)C1 ZINC000080433240 176214631 /nfs/dbraw/zinc/21/46/31/176214631.db2.gz ZREBROMQUWYUGK-IUODEOHRSA-N 0 3 232.371 3.349 20 0 BGADHN C[C@H]1CC[C@@H](Nc2cccc(CN(C)C)c2)C1 ZINC000080433244 177193891 /nfs/dbraw/zinc/19/38/91/177193891.db2.gz ZREBROMQUWYUGK-SWLSCSKDSA-N 0 3 232.371 3.349 20 0 BGADHN CC(C)Oc1ncccc1CN[C@H]1CC[C@@H](C)C1 ZINC000080459892 490640384 /nfs/dbraw/zinc/64/03/84/490640384.db2.gz JAYZLUXCIBVDJN-OCCSQVGLSA-N 0 3 248.370 3.147 20 0 BGADHN CC(C)Oc1ncccc1CN[C@H]1CC[C@H](C)C1 ZINC000080459897 490640211 /nfs/dbraw/zinc/64/02/11/490640211.db2.gz JAYZLUXCIBVDJN-JSGCOSHPSA-N 0 3 248.370 3.147 20 0 BGADHN CC(C)Oc1ncccc1CN[C@@H]1CC[C@@H](C)C1 ZINC000080459900 490640358 /nfs/dbraw/zinc/64/03/58/490640358.db2.gz JAYZLUXCIBVDJN-TZMCWYRMSA-N 0 3 248.370 3.147 20 0 BGADHN CC(C)Oc1ncccc1CN[C@@H]1CC[C@H](C)C1 ZINC000080459903 490640305 /nfs/dbraw/zinc/64/03/05/490640305.db2.gz JAYZLUXCIBVDJN-GXTWGEPZSA-N 0 3 248.370 3.147 20 0 BGADHN CC1(C)C[C@H]1NCc1cccc2c1OC(C)(C)C2 ZINC000080509120 534933170 /nfs/dbraw/zinc/93/31/70/534933170.db2.gz BBKSXUKUIJBYBZ-CYBMUJFWSA-N 0 3 245.366 3.288 20 0 BGADHN CC1(C)C[C@@H]1NCc1cccc2c1OC(C)(C)C2 ZINC000080509125 135378951 /nfs/dbraw/zinc/37/89/51/135378951.db2.gz BBKSXUKUIJBYBZ-ZDUSSCGKSA-N 0 3 245.366 3.288 20 0 BGADHN CC1(C)Cc2cccc(CNC3CCC3)c2O1 ZINC000080509175 534955473 /nfs/dbraw/zinc/95/54/73/534955473.db2.gz YFAGCXKFXULEJS-UHFFFAOYSA-N 0 3 231.339 3.042 20 0 BGADHN CCc1nc(CN2C[C@H](C)C[C@@H]2CC)cs1 ZINC000080656032 370806129 /nfs/dbraw/zinc/80/61/29/370806129.db2.gz AOUZBIBVZQKBIO-PWSUYJOCSA-N 0 3 238.400 3.326 20 0 BGADHN CCc1nc(CN2C[C@@H](C)C[C@@H]2CC)cs1 ZINC000080656036 370806451 /nfs/dbraw/zinc/80/64/51/370806451.db2.gz AOUZBIBVZQKBIO-JQWIXIFHSA-N 0 3 238.400 3.326 20 0 BGADHN CC[C@@H]1C[C@@H](C)CN1Cc1ccn(C(C)C)n1 ZINC000080656937 345401628 /nfs/dbraw/zinc/40/16/28/345401628.db2.gz PFEQPKGLKBSQRP-TZMCWYRMSA-N 0 3 235.375 3.084 20 0 BGADHN CC[C@H]1C[C@@H](C)CN1Cc1ccn(C(C)C)n1 ZINC000080656941 345401245 /nfs/dbraw/zinc/40/12/45/345401245.db2.gz PFEQPKGLKBSQRP-OCCSQVGLSA-N 0 3 235.375 3.084 20 0 BGADHN CC[C@@H]1C[C@H](C)CN1Cc1ccn(C(C)C)n1 ZINC000080660942 345407476 /nfs/dbraw/zinc/40/74/76/345407476.db2.gz PFEQPKGLKBSQRP-GXTWGEPZSA-N 0 3 235.375 3.084 20 0 BGADHN CC[C@H]1C[C@H](C)CN1Cc1ccn(C(C)C)n1 ZINC000080660944 345407542 /nfs/dbraw/zinc/40/75/42/345407542.db2.gz PFEQPKGLKBSQRP-JSGCOSHPSA-N 0 3 235.375 3.084 20 0 BGADHN CC(C)[C@](C)(O)CNc1ccnc2ccccc21 ZINC000080679430 343412265 /nfs/dbraw/zinc/41/22/65/343412265.db2.gz PRKUJWLMPRGFOJ-OAHLLOKOSA-N 0 3 244.338 3.054 20 0 BGADHN CC(C)[C@@](C)(O)CNc1ccnc2ccccc21 ZINC000080679434 345423388 /nfs/dbraw/zinc/42/33/88/345423388.db2.gz PRKUJWLMPRGFOJ-HNNXBMFYSA-N 0 3 244.338 3.054 20 0 BGADHN Cc1nc(C)c(CNCc2ccc(C)cc2)s1 ZINC000080706621 388001158 /nfs/dbraw/zinc/00/11/58/388001158.db2.gz IUTUJZVPWFYHBH-UHFFFAOYSA-N 0 3 246.379 3.358 20 0 BGADHN Cc1ccccc1[C@@H](C)NCc1cc[nH]c1 ZINC000080773319 179322073 /nfs/dbraw/zinc/32/20/73/179322073.db2.gz HQKXALYKFNVTNB-GFCCVEGCSA-N 0 3 214.312 3.174 20 0 BGADHN c1cc(CN[C@H]2CCCc3ccccc32)c[nH]1 ZINC000080773329 384582847 /nfs/dbraw/zinc/58/28/47/384582847.db2.gz CWZQGXURWZXWOW-HNNXBMFYSA-N 0 3 226.323 3.182 20 0 BGADHN c1cc(CN[C@@H]2CCCc3ccccc32)c[nH]1 ZINC000080773331 384582532 /nfs/dbraw/zinc/58/25/32/384582532.db2.gz CWZQGXURWZXWOW-OAHLLOKOSA-N 0 3 226.323 3.182 20 0 BGADHN COc1ccc(C)cc1[C@@H](C)NCc1cc[nH]c1 ZINC000080773474 175079567 /nfs/dbraw/zinc/07/95/67/175079567.db2.gz QYZPYAQREIBJQN-GFCCVEGCSA-N 0 3 244.338 3.183 20 0 BGADHN COc1ccc(C)cc1[C@H](C)NCc1cc[nH]c1 ZINC000080773477 175080931 /nfs/dbraw/zinc/08/09/31/175080931.db2.gz QYZPYAQREIBJQN-LBPRGKRZSA-N 0 3 244.338 3.183 20 0 BGADHN CC[C@H](NCc1cc[nH]c1)c1ccc(OC)cc1 ZINC000080773572 384580948 /nfs/dbraw/zinc/58/09/48/384580948.db2.gz DXYGXHGKIOXNIU-HNNXBMFYSA-N 0 3 244.338 3.264 20 0 BGADHN CC[C@@H](NCc1cc[nH]c1)c1ccc(OC)cc1 ZINC000080773573 344133707 /nfs/dbraw/zinc/13/37/07/344133707.db2.gz DXYGXHGKIOXNIU-OAHLLOKOSA-N 0 3 244.338 3.264 20 0 BGADHN c1cc(CN[C@@H](c2ccccc2)C2CC2)c[nH]1 ZINC000080773607 384581428 /nfs/dbraw/zinc/58/14/28/384581428.db2.gz SFSSRCNFQPCDNV-HNNXBMFYSA-N 0 3 226.323 3.256 20 0 BGADHN c1cc(CN[C@H](c2ccccc2)C2CC2)c[nH]1 ZINC000080773611 384581062 /nfs/dbraw/zinc/58/10/62/384581062.db2.gz SFSSRCNFQPCDNV-OAHLLOKOSA-N 0 3 226.323 3.256 20 0 BGADHN CCOc1ccc([C@@H](C)NCc2cc[nH]c2)cc1 ZINC000080773660 490654364 /nfs/dbraw/zinc/65/43/64/490654364.db2.gz FVHYNLROWPNALP-GFCCVEGCSA-N 0 3 244.338 3.264 20 0 BGADHN CCOc1ccc([C@H](C)NCc2cc[nH]c2)cc1 ZINC000080773664 490654267 /nfs/dbraw/zinc/65/42/67/490654267.db2.gz FVHYNLROWPNALP-LBPRGKRZSA-N 0 3 244.338 3.264 20 0 BGADHN Cc1ccc([C@@H](C)NCc2cc[nH]c2)cc1 ZINC000080773827 384581131 /nfs/dbraw/zinc/58/11/31/384581131.db2.gz YHEWMFLBTBELCN-GFCCVEGCSA-N 0 3 214.312 3.174 20 0 BGADHN Cc1ccc([C@H](C)NCc2cc[nH]c2)cc1 ZINC000080773829 384582445 /nfs/dbraw/zinc/58/24/45/384582445.db2.gz YHEWMFLBTBELCN-LBPRGKRZSA-N 0 3 214.312 3.174 20 0 BGADHN CC[C@H](NCc1cc[nH]c1)c1cccs1 ZINC000080773962 384176020 /nfs/dbraw/zinc/17/60/20/384176020.db2.gz LLXRLRQVAZPCNY-NSHDSACASA-N 0 3 220.341 3.317 20 0 BGADHN CC[C@@H](NCc1cc[nH]c1)c1cccs1 ZINC000080773965 384175606 /nfs/dbraw/zinc/17/56/06/384175606.db2.gz LLXRLRQVAZPCNY-LLVKDONJSA-N 0 3 220.341 3.317 20 0 BGADHN Cc1cc([C@@H](C)NCc2cc[nH]c2)c(C)o1 ZINC000080774000 135384955 /nfs/dbraw/zinc/38/49/55/135384955.db2.gz SIPIKCANRAXXBP-SNVBAGLBSA-N 0 3 218.300 3.075 20 0 BGADHN Cc1cc([C@H](C)NCc2cc[nH]c2)c(C)o1 ZINC000080774004 135385097 /nfs/dbraw/zinc/38/50/97/135385097.db2.gz SIPIKCANRAXXBP-JTQLQIEISA-N 0 3 218.300 3.075 20 0 BGADHN Fc1ccc(CNCc2cc[nH]c2)cc1Cl ZINC000080778216 384527369 /nfs/dbraw/zinc/52/73/69/384527369.db2.gz DKYKMYCKCXUEJH-UHFFFAOYSA-N 0 3 238.693 3.097 20 0 BGADHN CC(C)c1ccc(CNCc2ccn(C)c2)cc1 ZINC000080794572 411249528 /nfs/dbraw/zinc/24/95/28/411249528.db2.gz WEPSFSVIQMRULF-UHFFFAOYSA-N 0 3 242.366 3.438 20 0 BGADHN CC[C@H](NCc1ccn(C)c1)c1ccccc1 ZINC000080794588 384582760 /nfs/dbraw/zinc/58/27/60/384582760.db2.gz UNXLMANYJRRYLU-HNNXBMFYSA-N 0 3 228.339 3.266 20 0 BGADHN CC[C@@H](NCc1ccn(C)c1)c1ccccc1 ZINC000080807071 344133992 /nfs/dbraw/zinc/13/39/92/344133992.db2.gz UNXLMANYJRRYLU-OAHLLOKOSA-N 0 3 228.339 3.266 20 0 BGADHN Cc1ccc(CN(C)Cc2cccc(O)c2)cc1 ZINC000080917706 388643050 /nfs/dbraw/zinc/64/30/50/388643050.db2.gz FMNKWZFHYGKLCF-UHFFFAOYSA-N 0 3 241.334 3.333 20 0 BGADHN CN(CCc1cccs1)Cc1cccc(O)c1 ZINC000080919724 384592210 /nfs/dbraw/zinc/59/22/10/384592210.db2.gz BVIFIDRBEMMIEK-UHFFFAOYSA-N 0 3 247.363 3.128 20 0 BGADHN Cc1ccccc1CN(C)Cc1cccc(O)c1 ZINC000080924762 345451412 /nfs/dbraw/zinc/45/14/12/345451412.db2.gz OLIUWGHBZQCZJE-UHFFFAOYSA-N 0 3 241.334 3.333 20 0 BGADHN CC[N@@H+](CC(C)C)[C@@H](C)c1cccc([O-])c1 ZINC000080932669 388565015 /nfs/dbraw/zinc/56/50/15/388565015.db2.gz MGTLPXYXAWEJPB-LBPRGKRZSA-N 0 3 221.344 3.431 20 0 BGADHN CC[N@H+](CC(C)C)[C@@H](C)c1cccc([O-])c1 ZINC000080932669 388565014 /nfs/dbraw/zinc/56/50/14/388565014.db2.gz MGTLPXYXAWEJPB-LBPRGKRZSA-N 0 3 221.344 3.431 20 0 BGADHN CC[N@@H+](CC(C)C)[C@H](C)c1cccc([O-])c1 ZINC000080932672 388564207 /nfs/dbraw/zinc/56/42/07/388564207.db2.gz MGTLPXYXAWEJPB-GFCCVEGCSA-N 0 3 221.344 3.431 20 0 BGADHN CC[N@H+](CC(C)C)[C@H](C)c1cccc([O-])c1 ZINC000080932672 388564205 /nfs/dbraw/zinc/56/42/05/388564205.db2.gz MGTLPXYXAWEJPB-GFCCVEGCSA-N 0 3 221.344 3.431 20 0 BGADHN CCN(CCC(F)(F)F)Cc1cccc(N)c1 ZINC000080943773 487508969 /nfs/dbraw/zinc/50/89/69/487508969.db2.gz GAIYLSLRWNXADW-UHFFFAOYSA-N 0 3 246.276 3.043 20 0 BGADHN CC(C)[C@@H](C)CNCc1cc(F)ccc1F ZINC000081043727 325489121 /nfs/dbraw/zinc/48/91/21/325489121.db2.gz HHGPSOAVFYPLJV-JTQLQIEISA-N 0 3 227.298 3.347 20 0 BGADHN CC(C)[C@H](C)CNCc1cc(F)ccc1F ZINC000081043729 325488915 /nfs/dbraw/zinc/48/89/15/325488915.db2.gz HHGPSOAVFYPLJV-SNVBAGLBSA-N 0 3 227.298 3.347 20 0 BGADHN CC(C)[C@@H](C)CNCc1cnc2ccccc2n1 ZINC000081044185 487571768 /nfs/dbraw/zinc/57/17/68/487571768.db2.gz DOBLSWCKAFXVDC-LBPRGKRZSA-N 0 3 243.354 3.012 20 0 BGADHN CC(C)[C@H](C)CNCc1cnc2ccccc2n1 ZINC000081044187 487571926 /nfs/dbraw/zinc/57/19/26/487571926.db2.gz DOBLSWCKAFXVDC-GFCCVEGCSA-N 0 3 243.354 3.012 20 0 BGADHN CC(C)[C@@H](C)CNCc1c(F)cccc1F ZINC000081044603 325489182 /nfs/dbraw/zinc/48/91/82/325489182.db2.gz TUROCQWRHYPEPF-JTQLQIEISA-N 0 3 227.298 3.347 20 0 BGADHN CC(C)[C@H](C)CNCc1c(F)cccc1F ZINC000081044605 325488917 /nfs/dbraw/zinc/48/89/17/325488917.db2.gz TUROCQWRHYPEPF-SNVBAGLBSA-N 0 3 227.298 3.347 20 0 BGADHN Cc1nc([C@@H](C)NC[C@@H](C)C(C)C)cs1 ZINC000081045031 388566074 /nfs/dbraw/zinc/56/60/74/388566074.db2.gz WPNHJRVZCKTIQB-NXEZZACHSA-N 0 3 226.389 3.394 20 0 BGADHN Cc1nc([C@H](C)NC[C@@H](C)C(C)C)cs1 ZINC000081045032 388565632 /nfs/dbraw/zinc/56/56/32/388565632.db2.gz WPNHJRVZCKTIQB-ZJUUUORDSA-N 0 3 226.389 3.394 20 0 BGADHN Cc1nc([C@@H](C)NC[C@H](C)C(C)C)cs1 ZINC000081045033 325488925 /nfs/dbraw/zinc/48/89/25/325488925.db2.gz WPNHJRVZCKTIQB-VHSXEESVSA-N 0 3 226.389 3.394 20 0 BGADHN Cc1nc([C@H](C)NC[C@H](C)C(C)C)cs1 ZINC000081045034 325489072 /nfs/dbraw/zinc/48/90/72/325489072.db2.gz WPNHJRVZCKTIQB-UWVGGRQHSA-N 0 3 226.389 3.394 20 0 BGADHN CC1(C)CCN1Cc1cccc2cccnc21 ZINC000081045225 345459437 /nfs/dbraw/zinc/45/94/37/345459437.db2.gz RCUKXXMHOWILCO-UHFFFAOYSA-N 0 3 226.323 3.219 20 0 BGADHN CC(C)[C@@H](C)CNCc1ccc(Cl)o1 ZINC000081045340 325489136 /nfs/dbraw/zinc/48/91/36/325489136.db2.gz VUSLURRQFCUHLO-VIFPVBQESA-N 0 3 215.724 3.315 20 0 BGADHN CC(C)[C@H](C)CNCc1ccc(Cl)o1 ZINC000081045344 325488955 /nfs/dbraw/zinc/48/89/55/325488955.db2.gz VUSLURRQFCUHLO-SECBINFHSA-N 0 3 215.724 3.315 20 0 BGADHN CC(C)[C@@H](C)CNCc1cccc(F)c1F ZINC000081045714 344494868 /nfs/dbraw/zinc/49/48/68/344494868.db2.gz JVJLPQKYELMQOU-JTQLQIEISA-N 0 3 227.298 3.347 20 0 BGADHN CC(C)[C@H](C)CNCc1cccc(F)c1F ZINC000081045715 344494984 /nfs/dbraw/zinc/49/49/84/344494984.db2.gz JVJLPQKYELMQOU-SNVBAGLBSA-N 0 3 227.298 3.347 20 0 BGADHN CCc1ccc(CNC[C@@H](C)C(C)C)o1 ZINC000081046614 325489487 /nfs/dbraw/zinc/48/94/87/325489487.db2.gz WBEWOZORQOJJIF-LLVKDONJSA-N 0 3 209.333 3.224 20 0 BGADHN CCc1ccc(CNC[C@H](C)C(C)C)o1 ZINC000081046617 388566985 /nfs/dbraw/zinc/56/69/85/388566985.db2.gz WBEWOZORQOJJIF-NSHDSACASA-N 0 3 209.333 3.224 20 0 BGADHN CC(C)[C@@H](C)CNCc1ccc(F)cc1F ZINC000081047611 370845895 /nfs/dbraw/zinc/84/58/95/370845895.db2.gz LXTHHXCOSYPJDH-JTQLQIEISA-N 0 3 227.298 3.347 20 0 BGADHN CC(C)[C@H](C)CNCc1ccc(F)cc1F ZINC000081047613 370845291 /nfs/dbraw/zinc/84/52/91/370845291.db2.gz LXTHHXCOSYPJDH-SNVBAGLBSA-N 0 3 227.298 3.347 20 0 BGADHN CCc1nc(CNC[C@@H](C)C(C)C)cs1 ZINC000081059392 325490066 /nfs/dbraw/zinc/49/00/66/325490066.db2.gz WYTORAZQJAFKJD-SNVBAGLBSA-N 0 3 226.389 3.087 20 0 BGADHN CCc1nc(CNC[C@H](C)C(C)C)cs1 ZINC000081059395 325490103 /nfs/dbraw/zinc/49/01/03/325490103.db2.gz WYTORAZQJAFKJD-JTQLQIEISA-N 0 3 226.389 3.087 20 0 BGADHN C[C@@H]1CCCC[C@@H]1OCCN1CCC12CCC2 ZINC000081515795 345482471 /nfs/dbraw/zinc/48/24/71/345482471.db2.gz UDFCDLPMVGXFQO-KGLIPLIRSA-N 0 3 237.387 3.210 20 0 BGADHN C[C@H]1CCCC[C@@H]1OCCN1CCC12CCC2 ZINC000081515796 345482634 /nfs/dbraw/zinc/48/26/34/345482634.db2.gz UDFCDLPMVGXFQO-KBPBESRZSA-N 0 3 237.387 3.210 20 0 BGADHN C[C@@H]1CCCC[C@H]1OCCN1CCC12CCC2 ZINC000081515797 359603574 /nfs/dbraw/zinc/60/35/74/359603574.db2.gz UDFCDLPMVGXFQO-ZIAGYGMSSA-N 0 3 237.387 3.210 20 0 BGADHN C[C@H]1CCCC[C@H]1OCCN1CCC12CCC2 ZINC000081515798 345482697 /nfs/dbraw/zinc/48/26/97/345482697.db2.gz UDFCDLPMVGXFQO-UONOGXRCSA-N 0 3 237.387 3.210 20 0 BGADHN c1ccc2nc(CN3CCC34CCC4)ccc2c1 ZINC000081516003 345483102 /nfs/dbraw/zinc/48/31/02/345483102.db2.gz KMMIOAFMUXURII-UHFFFAOYSA-N 0 3 238.334 3.363 20 0 BGADHN c1cc(CN2CCC23CCC3)cc2c1CCC2 ZINC000081516029 345483183 /nfs/dbraw/zinc/48/31/83/345483183.db2.gz ASUWSKWDBQCUIL-UHFFFAOYSA-N 0 3 227.351 3.304 20 0 BGADHN COc1ccc(C)cc1CN1CCC12CCC2 ZINC000081544965 345478068 /nfs/dbraw/zinc/47/80/68/345478068.db2.gz UYGDAHOUZFPFPG-UHFFFAOYSA-N 0 3 231.339 3.132 20 0 BGADHN C(CN1CCC12CCC2)OC1CCCCCC1 ZINC000081545151 491132776 /nfs/dbraw/zinc/13/27/76/491132776.db2.gz IJAXXVATJUZCAS-UHFFFAOYSA-N 0 3 237.387 3.354 20 0 BGADHN Fc1ccc(OCCCN2CCC23CCC3)cc1 ZINC000081545217 359605144 /nfs/dbraw/zinc/60/51/44/359605144.db2.gz WPLUUJDQRKFJIG-UHFFFAOYSA-N 0 3 249.329 3.223 20 0 BGADHN CC(C)OCCN1C[C@@H](C)[C@H]1c1ccccc1 ZINC000081573530 167234733 /nfs/dbraw/zinc/23/47/33/167234733.db2.gz XARKMVGKFSTGBV-HIFRSBDPSA-N 0 3 233.355 3.104 20 0 BGADHN CC(C)OCCN1C[C@H](C)[C@H]1c1ccccc1 ZINC000081573532 167236517 /nfs/dbraw/zinc/23/65/17/167236517.db2.gz XARKMVGKFSTGBV-ZFWWWQNUSA-N 0 3 233.355 3.104 20 0 BGADHN CCSCCN1C[C@H](C)[C@@H]1c1ccccc1 ZINC000081574909 388584621 /nfs/dbraw/zinc/58/46/21/388584621.db2.gz ZEWSZSVAYFMWJY-GXTWGEPZSA-N 0 3 235.396 3.433 20 0 BGADHN CCSCCN1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000081574911 388584740 /nfs/dbraw/zinc/58/47/40/388584740.db2.gz ZEWSZSVAYFMWJY-TZMCWYRMSA-N 0 3 235.396 3.433 20 0 BGADHN c1ccc(SCCN2CCC23CCC3)cc1 ZINC000081580224 345479657 /nfs/dbraw/zinc/47/96/57/345479657.db2.gz JVPHIOVNFGEGHI-UHFFFAOYSA-N 0 3 233.380 3.407 20 0 BGADHN C[C@@H](Cc1ccsc1)N(C)Cc1ccccn1 ZINC000081597553 398140002 /nfs/dbraw/zinc/14/00/02/398140002.db2.gz YHKYTJKAHFHUQW-LBPRGKRZSA-N 0 3 246.379 3.206 20 0 BGADHN C[C@H](Cc1ccsc1)N(C)Cc1ccccn1 ZINC000081597557 398139643 /nfs/dbraw/zinc/13/96/43/398139643.db2.gz YHKYTJKAHFHUQW-GFCCVEGCSA-N 0 3 246.379 3.206 20 0 BGADHN c1coc(CN[C@@H]2CCC[C@H](C3CC3)C2)c1 ZINC000081623071 135388531 /nfs/dbraw/zinc/38/85/31/135388531.db2.gz WNGQNEHQEXDTGR-QWHCGFSZSA-N 0 3 219.328 3.338 20 0 BGADHN c1coc(CN[C@H]2CCC[C@H](C3CC3)C2)c1 ZINC000081623073 135388772 /nfs/dbraw/zinc/38/87/72/135388772.db2.gz WNGQNEHQEXDTGR-STQMWFEESA-N 0 3 219.328 3.338 20 0 BGADHN c1coc(CN[C@@H]2CCC[C@@H](C3CC3)C2)c1 ZINC000081623075 135388653 /nfs/dbraw/zinc/38/86/53/135388653.db2.gz WNGQNEHQEXDTGR-CHWSQXEVSA-N 0 3 219.328 3.338 20 0 BGADHN c1coc(CN[C@H]2CCC[C@@H](C3CC3)C2)c1 ZINC000081623077 135388697 /nfs/dbraw/zinc/38/86/97/135388697.db2.gz WNGQNEHQEXDTGR-OLZOCXBDSA-N 0 3 219.328 3.338 20 0 BGADHN c1csc(CN[C@@H]2CCC[C@H](C3CC3)C2)n1 ZINC000081637220 135388645 /nfs/dbraw/zinc/38/86/45/135388645.db2.gz MWAJODJAXICENN-NWDGAFQWSA-N 0 3 236.384 3.202 20 0 BGADHN c1csc(CN[C@H]2CCC[C@H](C3CC3)C2)n1 ZINC000081637225 135388362 /nfs/dbraw/zinc/38/83/62/135388362.db2.gz MWAJODJAXICENN-RYUDHWBXSA-N 0 3 236.384 3.202 20 0 BGADHN c1csc(CN[C@@H]2CCC[C@@H](C3CC3)C2)n1 ZINC000081637228 135388568 /nfs/dbraw/zinc/38/85/68/135388568.db2.gz MWAJODJAXICENN-VXGBXAGGSA-N 0 3 236.384 3.202 20 0 BGADHN c1csc(CN[C@H]2CCC[C@@H](C3CC3)C2)n1 ZINC000081637232 135388404 /nfs/dbraw/zinc/38/84/04/135388404.db2.gz MWAJODJAXICENN-NEPJUHHUSA-N 0 3 236.384 3.202 20 0 BGADHN Cc1cc(CN[C@@H]2CCC[C@H](C3CC3)C2)no1 ZINC000081637916 388587920 /nfs/dbraw/zinc/58/79/20/388587920.db2.gz HEEHJVDDQORVNY-QWHCGFSZSA-N 0 3 234.343 3.041 20 0 BGADHN Cc1cc(CN[C@H]2CCC[C@H](C3CC3)C2)no1 ZINC000081637920 368613107 /nfs/dbraw/zinc/61/31/07/368613107.db2.gz HEEHJVDDQORVNY-STQMWFEESA-N 0 3 234.343 3.041 20 0 BGADHN Cc1cc(CN[C@@H]2CCC[C@@H](C3CC3)C2)no1 ZINC000081637925 368612887 /nfs/dbraw/zinc/61/28/87/368612887.db2.gz HEEHJVDDQORVNY-CHWSQXEVSA-N 0 3 234.343 3.041 20 0 BGADHN Cc1cc(CN[C@H]2CCC[C@@H](C3CC3)C2)no1 ZINC000081637928 368613174 /nfs/dbraw/zinc/61/31/74/368613174.db2.gz HEEHJVDDQORVNY-OLZOCXBDSA-N 0 3 234.343 3.041 20 0 BGADHN Cc1cc(CN[C@@H]2CCC[C@H](C3CC3)C2)on1 ZINC000081638002 388011512 /nfs/dbraw/zinc/01/15/12/388011512.db2.gz SQKASXILMDGPIW-QWHCGFSZSA-N 0 3 234.343 3.041 20 0 BGADHN Cc1cc(CN[C@H]2CCC[C@H](C3CC3)C2)on1 ZINC000081638006 388011262 /nfs/dbraw/zinc/01/12/62/388011262.db2.gz SQKASXILMDGPIW-STQMWFEESA-N 0 3 234.343 3.041 20 0 BGADHN Cc1cc(CN[C@@H]2CCC[C@@H](C3CC3)C2)on1 ZINC000081638010 388010767 /nfs/dbraw/zinc/01/07/67/388010767.db2.gz SQKASXILMDGPIW-CHWSQXEVSA-N 0 3 234.343 3.041 20 0 BGADHN Cc1cc(CN[C@H]2CCC[C@@H](C3CC3)C2)on1 ZINC000081638015 388011015 /nfs/dbraw/zinc/01/10/15/388011015.db2.gz SQKASXILMDGPIW-OLZOCXBDSA-N 0 3 234.343 3.041 20 0 BGADHN Cc1nc(CN2CCCCCC2)sc1C ZINC000081642968 398270340 /nfs/dbraw/zinc/27/03/40/398270340.db2.gz DILHUWKPOLWAFV-UHFFFAOYSA-N 0 3 224.373 3.136 20 0 BGADHN CC[C@@H]1CCCCN1Cc1nc(C)cs1 ZINC000081643166 398270425 /nfs/dbraw/zinc/27/04/25/398270425.db2.gz FWSMLQKGQHZUGC-LLVKDONJSA-N 0 3 224.373 3.216 20 0 BGADHN CC[C@H]1CCCCN1Cc1nc(C)cs1 ZINC000081643170 398270299 /nfs/dbraw/zinc/27/02/99/398270299.db2.gz FWSMLQKGQHZUGC-NSHDSACASA-N 0 3 224.373 3.216 20 0 BGADHN Cc1nc(CN2C[C@H](C)C[C@H](C)C2)sc1C ZINC000081643538 388587120 /nfs/dbraw/zinc/58/71/20/388587120.db2.gz IRUSBCOAVXLIRI-AOOOYVTPSA-N 0 3 238.400 3.238 20 0 BGADHN Cc1nc(CN2C[C@@H](C)C[C@H](C)C2)sc1C ZINC000081643541 325511451 /nfs/dbraw/zinc/51/14/51/325511451.db2.gz IRUSBCOAVXLIRI-UWVGGRQHSA-N 0 3 238.400 3.238 20 0 BGADHN Cc1nc(CN2C[C@H](C)C[C@@H](C)C2)sc1C ZINC000081643544 518192705 /nfs/dbraw/zinc/19/27/05/518192705.db2.gz IRUSBCOAVXLIRI-NXEZZACHSA-N 0 3 238.400 3.238 20 0 BGADHN Cc1csc(CN2CCCCCCC2)n1 ZINC000081644185 398270380 /nfs/dbraw/zinc/27/03/80/398270380.db2.gz AUHCSSRLMASEGJ-UHFFFAOYSA-N 0 3 224.373 3.218 20 0 BGADHN C[C@H](NCCC(C)(C)O)c1ccccc1Cl ZINC000081645001 398270400 /nfs/dbraw/zinc/27/04/00/398270400.db2.gz UFRPTVOICGMPFQ-JTQLQIEISA-N 0 3 241.762 3.152 20 0 BGADHN C[C@@H](NCCC(C)(C)O)c1ccccc1Cl ZINC000081645004 398270488 /nfs/dbraw/zinc/27/04/88/398270488.db2.gz UFRPTVOICGMPFQ-SNVBAGLBSA-N 0 3 241.762 3.152 20 0 BGADHN CNCC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000082247748 173332317 /nfs/dbraw/zinc/33/23/17/173332317.db2.gz JXEILQAAVMLKJP-UHFFFAOYSA-N 0 3 248.370 3.091 20 0 BGADHN CC(C)[C@@H]1CCCN1Cc1ccnc(Cl)c1 ZINC000082285474 187430819 /nfs/dbraw/zinc/43/08/19/187430819.db2.gz FUQHCPLNLAWMFJ-LBPRGKRZSA-N 0 3 238.762 3.355 20 0 BGADHN CC(C)[C@H]1CCCN1Cc1ccnc(Cl)c1 ZINC000082285475 384222133 /nfs/dbraw/zinc/22/21/33/384222133.db2.gz FUQHCPLNLAWMFJ-GFCCVEGCSA-N 0 3 238.762 3.355 20 0 BGADHN CC(C)[C@@H]1CCCN1Cc1cccnc1Cl ZINC000082384111 384674346 /nfs/dbraw/zinc/67/43/46/384674346.db2.gz FHWBKVQUJKMLQB-LBPRGKRZSA-N 0 3 238.762 3.355 20 0 BGADHN CC(C)[C@H]1CCCN1Cc1cccnc1Cl ZINC000082384113 384225732 /nfs/dbraw/zinc/22/57/32/384225732.db2.gz FHWBKVQUJKMLQB-GFCCVEGCSA-N 0 3 238.762 3.355 20 0 BGADHN C[C@@H]1CCC[C@H](NCc2nccs2)[C@@H]1C ZINC000082393734 176144451 /nfs/dbraw/zinc/14/44/51/176144451.db2.gz LOIZPHGPZBANLI-MXWKQRLJSA-N 0 3 224.373 3.057 20 0 BGADHN C[C@@H]1CCC[C@@H](NCc2nccs2)[C@@H]1C ZINC000082393738 176124101 /nfs/dbraw/zinc/12/41/01/176124101.db2.gz LOIZPHGPZBANLI-GMTAPVOTSA-N 0 3 224.373 3.057 20 0 BGADHN CC(C)CCC[C@@H](C)NCc1nccs1 ZINC000082393761 384228435 /nfs/dbraw/zinc/22/84/35/384228435.db2.gz COIZIMDAVBFAKK-LLVKDONJSA-N 0 3 226.389 3.448 20 0 BGADHN CC(C)CCC[C@H](C)NCc1nccs1 ZINC000082393763 384227524 /nfs/dbraw/zinc/22/75/24/384227524.db2.gz COIZIMDAVBFAKK-NSHDSACASA-N 0 3 226.389 3.448 20 0 BGADHN c1csc(CNCCC2CCCCC2)n1 ZINC000082394075 344903141 /nfs/dbraw/zinc/90/31/41/344903141.db2.gz MAXKSHXXNXOLHI-UHFFFAOYSA-N 0 3 224.373 3.203 20 0 BGADHN CC(C)(C)CC(C)(C)NCc1nccs1 ZINC000082394127 384228679 /nfs/dbraw/zinc/22/86/79/384228679.db2.gz BSJLOLAGLBRTEO-UHFFFAOYSA-N 0 3 226.389 3.448 20 0 BGADHN C[C@@H]1CCC[C@H](CNCc2nccs2)C1 ZINC000082394518 176139401 /nfs/dbraw/zinc/13/94/01/176139401.db2.gz WZLRGRIIIBCXEC-MNOVXSKESA-N 0 3 224.373 3.059 20 0 BGADHN C[C@H]1CCC[C@H](CNCc2nccs2)C1 ZINC000082394520 177133564 /nfs/dbraw/zinc/13/35/64/177133564.db2.gz WZLRGRIIIBCXEC-QWRGUYRKSA-N 0 3 224.373 3.059 20 0 BGADHN C[C@@H]1CCC[C@@H](CNCc2nccs2)C1 ZINC000082394522 176119896 /nfs/dbraw/zinc/11/98/96/176119896.db2.gz WZLRGRIIIBCXEC-GHMZBOCLSA-N 0 3 224.373 3.059 20 0 BGADHN C[C@H]1CCC[C@@H](CNCc2nccs2)C1 ZINC000082394524 177119221 /nfs/dbraw/zinc/11/92/21/177119221.db2.gz WZLRGRIIIBCXEC-WDEREUQCSA-N 0 3 224.373 3.059 20 0 BGADHN CC1CCC(CNCc2nccs2)CC1 ZINC000082394544 168157021 /nfs/dbraw/zinc/15/70/21/168157021.db2.gz IVUQFLCHSXVQKP-UHFFFAOYSA-N 0 3 224.373 3.059 20 0 BGADHN C[C@@H]1CCCC[C@@H]1CNCc1nccs1 ZINC000082394638 176077270 /nfs/dbraw/zinc/07/72/70/176077270.db2.gz LUFHOIXAWUQLNV-GHMZBOCLSA-N 0 3 224.373 3.059 20 0 BGADHN C[C@H]1CCCC[C@@H]1CNCc1nccs1 ZINC000082394639 177079977 /nfs/dbraw/zinc/07/99/77/177079977.db2.gz LUFHOIXAWUQLNV-WDEREUQCSA-N 0 3 224.373 3.059 20 0 BGADHN C[C@@H]1CCCC[C@H]1CNCc1nccs1 ZINC000082394641 176085206 /nfs/dbraw/zinc/08/52/06/176085206.db2.gz LUFHOIXAWUQLNV-MNOVXSKESA-N 0 3 224.373 3.059 20 0 BGADHN C[C@H]1CCCC[C@H]1CNCc1nccs1 ZINC000082394643 177086082 /nfs/dbraw/zinc/08/60/82/177086082.db2.gz LUFHOIXAWUQLNV-QWRGUYRKSA-N 0 3 224.373 3.059 20 0 BGADHN CCC1CCC(CNCc2nccs2)CC1 ZINC000082432841 491146400 /nfs/dbraw/zinc/14/64/00/491146400.db2.gz OMWVFYTZYFIYQC-UHFFFAOYSA-N 0 3 238.400 3.449 20 0 BGADHN CC(C)(C)c1csc(CNC2CCCC2)n1 ZINC000082433048 347593341 /nfs/dbraw/zinc/59/33/41/347593341.db2.gz ZKLNWKFISCZUEP-UHFFFAOYSA-N 0 3 238.400 3.473 20 0 BGADHN Cc1ccc(CN[C@@H]2CC2(C)C)cc1F ZINC000082503552 136276685 /nfs/dbraw/zinc/27/66/85/136276685.db2.gz YTTUPTVJZOQJEN-GFCCVEGCSA-N 0 3 207.292 3.022 20 0 BGADHN Cc1ccc(CN[C@H]2CC2(C)C)cc1F ZINC000082503553 136276562 /nfs/dbraw/zinc/27/65/62/136276562.db2.gz YTTUPTVJZOQJEN-LBPRGKRZSA-N 0 3 207.292 3.022 20 0 BGADHN Cc1ccc(CNCCC(F)(F)F)cc1F ZINC000082503577 136276512 /nfs/dbraw/zinc/27/65/12/136276512.db2.gz JDFRZCYQNPBEOY-UHFFFAOYSA-N 0 3 235.224 3.176 20 0 BGADHN CCC(CC)CNCc1cc(F)ccc1F ZINC000082515029 322959832 /nfs/dbraw/zinc/95/98/32/322959832.db2.gz BSYLXQMSMJLIJM-UHFFFAOYSA-N 0 3 227.298 3.491 20 0 BGADHN Cc1nc(C)c([C@@H](C)N[C@@H]2CC2(C)C)s1 ZINC000082589342 384243777 /nfs/dbraw/zinc/24/37/77/384243777.db2.gz COEOYJZULXOOJA-PSASIEDQSA-N 0 3 224.373 3.209 20 0 BGADHN Cc1nc(C)c([C@H](C)N[C@@H]2CC2(C)C)s1 ZINC000082589343 518192539 /nfs/dbraw/zinc/19/25/39/518192539.db2.gz COEOYJZULXOOJA-WCBMZHEXSA-N 0 3 224.373 3.209 20 0 BGADHN Cc1nc(C)c([C@@H](C)N[C@H]2CC2(C)C)s1 ZINC000082589344 384244648 /nfs/dbraw/zinc/24/46/48/384244648.db2.gz COEOYJZULXOOJA-SCZZXKLOSA-N 0 3 224.373 3.209 20 0 BGADHN Cc1nc(C)c([C@H](C)N[C@H]2CC2(C)C)s1 ZINC000082589345 384244832 /nfs/dbraw/zinc/24/48/32/384244832.db2.gz COEOYJZULXOOJA-WPRPVWTQSA-N 0 3 224.373 3.209 20 0 BGADHN Fc1ccc(Cl)cc1CNC1CCC1 ZINC000082595318 397968169 /nfs/dbraw/zinc/96/81/69/397968169.db2.gz HNSZYLOVWIBSBT-UHFFFAOYSA-N 0 3 213.683 3.121 20 0 BGADHN CCC[C@@H](C)CNCc1cc(F)ccc1F ZINC000082599552 384775127 /nfs/dbraw/zinc/77/51/27/384775127.db2.gz IPEWVOPQWWORIC-SNVBAGLBSA-N 0 3 227.298 3.491 20 0 BGADHN CCC[C@H](C)CNCc1cc(F)ccc1F ZINC000082599555 384774709 /nfs/dbraw/zinc/77/47/09/384774709.db2.gz IPEWVOPQWWORIC-JTQLQIEISA-N 0 3 227.298 3.491 20 0 BGADHN CSc1ccc(F)cc1CNC(C)C ZINC000082616317 343456693 /nfs/dbraw/zinc/45/66/93/343456693.db2.gz PIMXYFARJDPKEB-UHFFFAOYSA-N 0 3 213.321 3.046 20 0 BGADHN CCc1nc(CNCC2(C)CCCC2)cs1 ZINC000082619865 388038714 /nfs/dbraw/zinc/03/87/14/388038714.db2.gz UBSBDALISULGBC-UHFFFAOYSA-N 0 3 238.400 3.375 20 0 BGADHN Cc1nc(CNCC2(C)CCCC2)cs1 ZINC000082619876 384249364 /nfs/dbraw/zinc/24/93/64/384249364.db2.gz PDCFCHOEWOHUIS-UHFFFAOYSA-N 0 3 224.373 3.121 20 0 BGADHN CCCC(CCC)NCc1cscn1 ZINC000082625947 388618978 /nfs/dbraw/zinc/61/89/78/388618978.db2.gz FLHJGDZCYNEOKO-UHFFFAOYSA-N 0 3 212.362 3.202 20 0 BGADHN CC(C)C1CCC(NCc2cscn2)CC1 ZINC000082625992 136221821 /nfs/dbraw/zinc/22/18/21/136221821.db2.gz HUKIISNLZDCJTR-UHFFFAOYSA-N 0 3 238.400 3.448 20 0 BGADHN CC[C@@H](C)C[C@@H](CC)NCc1cscn1 ZINC000082626014 136221863 /nfs/dbraw/zinc/22/18/63/136221863.db2.gz LLEBMUQGRVCKQZ-GHMZBOCLSA-N 0 3 226.389 3.448 20 0 BGADHN CC[C@H](C[C@@H](C)CC)NCc1cscn1 ZINC000082626015 136221806 /nfs/dbraw/zinc/22/18/06/136221806.db2.gz LLEBMUQGRVCKQZ-WDEREUQCSA-N 0 3 226.389 3.448 20 0 BGADHN CC[C@@H](C)C[C@H](CC)NCc1cscn1 ZINC000082626016 535536854 /nfs/dbraw/zinc/53/68/54/535536854.db2.gz LLEBMUQGRVCKQZ-MNOVXSKESA-N 0 3 226.389 3.448 20 0 BGADHN C[C@H](NCCc1cscn1)c1ccsc1 ZINC000082626116 136221884 /nfs/dbraw/zinc/22/18/84/136221884.db2.gz PYXSJWPWUZTNOE-VIFPVBQESA-N 0 3 238.381 3.098 20 0 BGADHN C[C@@H](NCCc1cscn1)c1ccsc1 ZINC000082626117 343456774 /nfs/dbraw/zinc/45/67/74/343456774.db2.gz PYXSJWPWUZTNOE-SECBINFHSA-N 0 3 238.381 3.098 20 0 BGADHN C[C@H](NCCOC1CCCC1)c1ccsc1 ZINC000082627185 348184726 /nfs/dbraw/zinc/18/47/26/348184726.db2.gz RETYNWIERLEXMA-NSHDSACASA-N 0 3 239.384 3.358 20 0 BGADHN C[C@@H](NCCOC1CCCC1)c1ccsc1 ZINC000082627186 348185296 /nfs/dbraw/zinc/18/52/96/348185296.db2.gz RETYNWIERLEXMA-LLVKDONJSA-N 0 3 239.384 3.358 20 0 BGADHN CC[C@H](C)C[C@H](CC)NCc1cscn1 ZINC000082637628 171299667 /nfs/dbraw/zinc/29/96/67/171299667.db2.gz LLEBMUQGRVCKQZ-QWRGUYRKSA-N 0 3 226.389 3.448 20 0 BGADHN CC(C)[C@@H]1CCCN1Cc1ccc(Cl)nc1 ZINC000082666568 409849077 /nfs/dbraw/zinc/84/90/77/409849077.db2.gz DQEYDNCXRXRKCN-LBPRGKRZSA-N 0 3 238.762 3.355 20 0 BGADHN CC(C)[C@H]1CCCN1Cc1ccc(Cl)nc1 ZINC000082666569 409849820 /nfs/dbraw/zinc/84/98/20/409849820.db2.gz DQEYDNCXRXRKCN-GFCCVEGCSA-N 0 3 238.762 3.355 20 0 BGADHN CCCNCc1cc(C(F)(F)F)ccc1F ZINC000082699278 169265607 /nfs/dbraw/zinc/26/56/07/169265607.db2.gz ZGBJAEZTOYZKFC-UHFFFAOYSA-N 0 3 235.224 3.344 20 0 BGADHN Fc1ccc(C(F)(F)F)cc1CNC1CC1 ZINC000082699279 384704766 /nfs/dbraw/zinc/70/47/66/384704766.db2.gz FWTDIBIZZWVYKN-UHFFFAOYSA-N 0 3 233.208 3.097 20 0 BGADHN CC(C)NCc1cc(C(F)(F)F)ccc1F ZINC000082699488 167117595 /nfs/dbraw/zinc/11/75/95/167117595.db2.gz YZEOGIXAEATKNL-UHFFFAOYSA-N 0 3 235.224 3.343 20 0 BGADHN CC(C)(CNCc1ccco1)c1cccs1 ZINC000082707821 384703222 /nfs/dbraw/zinc/70/32/22/384703222.db2.gz LJIQGQXRUHMHFF-UHFFFAOYSA-N 0 3 235.352 3.409 20 0 BGADHN Cc1csc(CNCCC2CCCC2)n1 ZINC000082725371 384260125 /nfs/dbraw/zinc/26/01/25/384260125.db2.gz DFBZEOBDFJTKSF-UHFFFAOYSA-N 0 3 224.373 3.121 20 0 BGADHN Cc1csc(CNC[C@@H]2CCCC[C@@H]2C)n1 ZINC000082725418 348546945 /nfs/dbraw/zinc/54/69/45/348546945.db2.gz BEFIEKAYPDDAIU-JQWIXIFHSA-N 0 3 238.400 3.367 20 0 BGADHN Cc1csc(CNC[C@H]2CCCC[C@@H]2C)n1 ZINC000082725419 348547122 /nfs/dbraw/zinc/54/71/22/348547122.db2.gz BEFIEKAYPDDAIU-CMPLNLGQSA-N 0 3 238.400 3.367 20 0 BGADHN Cc1csc(CNC[C@@H]2CCCC[C@H]2C)n1 ZINC000082725420 348547192 /nfs/dbraw/zinc/54/71/92/348547192.db2.gz BEFIEKAYPDDAIU-PWSUYJOCSA-N 0 3 238.400 3.367 20 0 BGADHN Cc1csc(CNC[C@H]2CCCC[C@H]2C)n1 ZINC000082725421 348546862 /nfs/dbraw/zinc/54/68/62/348546862.db2.gz BEFIEKAYPDDAIU-ZYHUDNBSSA-N 0 3 238.400 3.367 20 0 BGADHN Cc1csc(CNC2(C)CCCCC2)n1 ZINC000082725445 384259048 /nfs/dbraw/zinc/25/90/48/384259048.db2.gz KCLDQLALXDIGLD-UHFFFAOYSA-N 0 3 224.373 3.264 20 0 BGADHN CCC[C@@H](CC)NCc1nc(C)cs1 ZINC000082725468 169379249 /nfs/dbraw/zinc/37/92/49/169379249.db2.gz LCASAGYLUKOUIG-SNVBAGLBSA-N 0 3 212.362 3.120 20 0 BGADHN CCC[C@H](CC)NCc1nc(C)cs1 ZINC000082725469 188122035 /nfs/dbraw/zinc/12/20/35/188122035.db2.gz LCASAGYLUKOUIG-JTQLQIEISA-N 0 3 212.362 3.120 20 0 BGADHN Cc1csc(CNCC2(C)CCCC2)n1 ZINC000082725475 384260448 /nfs/dbraw/zinc/26/04/48/384260448.db2.gz IUCORXRZDIRYSQ-UHFFFAOYSA-N 0 3 224.373 3.121 20 0 BGADHN CCO[C@@H]1C[C@H](NCc2ccsc2)C1(C)C ZINC000082784196 348725463 /nfs/dbraw/zinc/72/54/63/348725463.db2.gz AJRMCWZUGSPSCY-NWDGAFQWSA-N 0 3 239.384 3.041 20 0 BGADHN CCO[C@H]1C[C@H](NCc2ccsc2)C1(C)C ZINC000082784197 348725723 /nfs/dbraw/zinc/72/57/23/348725723.db2.gz AJRMCWZUGSPSCY-RYUDHWBXSA-N 0 3 239.384 3.041 20 0 BGADHN CCO[C@@H]1C[C@@H](NCc2ccsc2)C1(C)C ZINC000082784198 348725621 /nfs/dbraw/zinc/72/56/21/348725621.db2.gz AJRMCWZUGSPSCY-VXGBXAGGSA-N 0 3 239.384 3.041 20 0 BGADHN CCO[C@H]1C[C@@H](NCc2ccsc2)C1(C)C ZINC000082784199 348725826 /nfs/dbraw/zinc/72/58/26/348725826.db2.gz AJRMCWZUGSPSCY-NEPJUHHUSA-N 0 3 239.384 3.041 20 0 BGADHN COc1cccc(-c2ccc3c(c2)CCNC3)c1 ZINC000082793996 487734628 /nfs/dbraw/zinc/73/46/28/487734628.db2.gz BGCRKMSNLNBEGI-UHFFFAOYSA-N 0 3 239.318 3.008 20 0 BGADHN COc1ccccc1-c1ccc2c(c1)CCNC2 ZINC000082793997 487734727 /nfs/dbraw/zinc/73/47/27/487734727.db2.gz SZLCMBKTMUZFEJ-UHFFFAOYSA-N 0 3 239.318 3.008 20 0 BGADHN C[C@H]1CC(NCc2nccs2)C[C@@H](C)C1 ZINC000082829170 176055161 /nfs/dbraw/zinc/05/51/61/176055161.db2.gz YBWILIOASSWEAT-ZACCUICWSA-N 0 3 224.373 3.057 20 0 BGADHN C[C@@H]1CC(NCc2nccs2)C[C@@H](C)C1 ZINC000082829171 176055582 /nfs/dbraw/zinc/05/55/82/176055582.db2.gz YBWILIOASSWEAT-UWVGGRQHSA-N 0 3 224.373 3.057 20 0 BGADHN C[C@H]1CC(NCc2nccs2)C[C@H](C)C1 ZINC000082829172 177065047 /nfs/dbraw/zinc/06/50/47/177065047.db2.gz YBWILIOASSWEAT-NXEZZACHSA-N 0 3 224.373 3.057 20 0 BGADHN C[C@@H]1CC(NCc2ccco2)C[C@@H](C)C1 ZINC000082829186 176055066 /nfs/dbraw/zinc/05/50/66/176055066.db2.gz BYQVPFREXKFPGJ-QWRGUYRKSA-N 0 3 207.317 3.194 20 0 BGADHN C[C@H]1CC(NCc2ccco2)C[C@H](C)C1 ZINC000082829187 177065181 /nfs/dbraw/zinc/06/51/81/177065181.db2.gz BYQVPFREXKFPGJ-GHMZBOCLSA-N 0 3 207.317 3.194 20 0 BGADHN Cc1nc(CNC2C[C@@H](C)C[C@H](C)C2)cs1 ZINC000082829207 388041239 /nfs/dbraw/zinc/04/12/39/388041239.db2.gz YXRWUZZSHMEOBW-UWVGGRQHSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1nc(CNC2C[C@H](C)C[C@@H](C)C2)cs1 ZINC000082829208 388041243 /nfs/dbraw/zinc/04/12/43/388041243.db2.gz YXRWUZZSHMEOBW-NXEZZACHSA-N 0 3 238.400 3.366 20 0 BGADHN C[C@H]1CC(NCc2cscn2)C[C@@H](C)C1 ZINC000082829233 176055277 /nfs/dbraw/zinc/05/52/77/176055277.db2.gz NQQXSRPTYMZEGQ-ZACCUICWSA-N 0 3 224.373 3.057 20 0 BGADHN C[C@@H]1CC(NCc2cscn2)C[C@@H](C)C1 ZINC000082829234 176055370 /nfs/dbraw/zinc/05/53/70/176055370.db2.gz NQQXSRPTYMZEGQ-UWVGGRQHSA-N 0 3 224.373 3.057 20 0 BGADHN C[C@H]1CC(NCc2cscn2)C[C@H](C)C1 ZINC000082829235 177065038 /nfs/dbraw/zinc/06/50/38/177065038.db2.gz NQQXSRPTYMZEGQ-NXEZZACHSA-N 0 3 224.373 3.057 20 0 BGADHN Cc1csc(CNC2C[C@@H](C)C[C@H](C)C2)n1 ZINC000082829246 348819819 /nfs/dbraw/zinc/81/98/19/348819819.db2.gz WBXFIZVTCGDYID-UWVGGRQHSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1csc(CNC2C[C@H](C)C[C@@H](C)C2)n1 ZINC000082829247 133506253 /nfs/dbraw/zinc/50/62/53/133506253.db2.gz WBXFIZVTCGDYID-NXEZZACHSA-N 0 3 238.400 3.366 20 0 BGADHN C[C@@H]1CC[C@H](NCc2ccco2)C[C@@H]1C ZINC000082835658 177333858 /nfs/dbraw/zinc/33/38/58/177333858.db2.gz DTZZIZNKWOSXAA-WOPDTQHZSA-N 0 3 207.317 3.194 20 0 BGADHN C[C@@H]1CC[C@@H](NCc2ccco2)C[C@@H]1C ZINC000082835663 177370031 /nfs/dbraw/zinc/37/00/31/177370031.db2.gz DTZZIZNKWOSXAA-GRYCIOLGSA-N 0 3 207.317 3.194 20 0 BGADHN Cc1csc(CN[C@@H]2CC[C@H](C)[C@H](C)C2)n1 ZINC000082836988 388041304 /nfs/dbraw/zinc/04/13/04/388041304.db2.gz VVCIKIBWSUKIKM-HOSYDEDBSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1csc(CN[C@@H]2CC[C@@H](C)[C@H](C)C2)n1 ZINC000082836992 388041351 /nfs/dbraw/zinc/04/13/51/388041351.db2.gz VVCIKIBWSUKIKM-CKYFFXLPSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1nc(CN[C@@H]2CC[C@H](C)[C@H](C)C2)cs1 ZINC000082837051 348820715 /nfs/dbraw/zinc/82/07/15/348820715.db2.gz ROYDCCTZPXWPGT-HOSYDEDBSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1nc(CN[C@@H]2CC[C@@H](C)[C@H](C)C2)cs1 ZINC000082837055 348820585 /nfs/dbraw/zinc/82/05/85/348820585.db2.gz ROYDCCTZPXWPGT-CKYFFXLPSA-N 0 3 238.400 3.366 20 0 BGADHN C[C@@H]1CC[C@H](NCc2nccs2)C[C@@H]1C ZINC000082837058 177333957 /nfs/dbraw/zinc/33/39/57/177333957.db2.gz QEYKRQFBJDQWSJ-VWYCJHECSA-N 0 3 224.373 3.057 20 0 BGADHN C[C@@H]1CC[C@@H](NCc2nccs2)C[C@@H]1C ZINC000082837061 177371469 /nfs/dbraw/zinc/37/14/69/177371469.db2.gz QEYKRQFBJDQWSJ-OUAUKWLOSA-N 0 3 224.373 3.057 20 0 BGADHN C[C@@H]1CC[C@H](NCc2cscn2)C[C@@H]1C ZINC000082837551 343467991 /nfs/dbraw/zinc/46/79/91/343467991.db2.gz GBWGJPNLQIYAKN-VWYCJHECSA-N 0 3 224.373 3.057 20 0 BGADHN C[C@@H]1CC[C@@H](NCc2cscn2)C[C@@H]1C ZINC000082837554 343467876 /nfs/dbraw/zinc/46/78/76/343467876.db2.gz GBWGJPNLQIYAKN-OUAUKWLOSA-N 0 3 224.373 3.057 20 0 BGADHN Cc1csc(CN[C@@H]2C[C@H](C)CC[C@@H]2C)n1 ZINC000082858864 388043433 /nfs/dbraw/zinc/04/34/33/388043433.db2.gz GQUORJSUUJQOFK-JFGNBEQYSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1csc(CN[C@@H]2C[C@@H](C)CC[C@@H]2C)n1 ZINC000082858866 388042701 /nfs/dbraw/zinc/04/27/01/388042701.db2.gz GQUORJSUUJQOFK-JBLDHEPKSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1nc(CN[C@@H]2C[C@H](C)CC[C@@H]2C)cs1 ZINC000082858940 487741505 /nfs/dbraw/zinc/74/15/05/487741505.db2.gz VHHQQNBWCVSMMF-GBIKHYSHSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1nc(CN[C@@H]2C[C@@H](C)CC[C@@H]2C)cs1 ZINC000082858942 487741434 /nfs/dbraw/zinc/74/14/34/487741434.db2.gz VHHQQNBWCVSMMF-OUJBWJOFSA-N 0 3 238.400 3.366 20 0 BGADHN C[C@@H]1CC[C@H](C)[C@H](NCc2nccs2)C1 ZINC000082858944 384271786 /nfs/dbraw/zinc/27/17/86/384271786.db2.gz ZYZMQLUBTOBVOH-OUAUKWLOSA-N 0 3 224.373 3.057 20 0 BGADHN C[C@@H]1CC[C@@H](C)[C@H](NCc2nccs2)C1 ZINC000082858946 384271443 /nfs/dbraw/zinc/27/14/43/384271443.db2.gz ZYZMQLUBTOBVOH-GMTAPVOTSA-N 0 3 224.373 3.057 20 0 BGADHN C[C@@H]1CC[C@H](C)[C@H](NCc2cscn2)C1 ZINC000082859458 384270324 /nfs/dbraw/zinc/27/03/24/384270324.db2.gz LTOCVOXDSOZIMZ-JFGNBEQYSA-N 0 3 224.373 3.057 20 0 BGADHN C[C@@H]1CC[C@@H](C)[C@H](NCc2cscn2)C1 ZINC000082859460 384271902 /nfs/dbraw/zinc/27/19/02/384271902.db2.gz LTOCVOXDSOZIMZ-CKYFFXLPSA-N 0 3 224.373 3.057 20 0 BGADHN CCC[C@@H](CC)NCc1ccn(C(C)C)n1 ZINC000082866419 362243425 /nfs/dbraw/zinc/24/34/25/362243425.db2.gz RBEOHXIHTYNANA-GFCCVEGCSA-N 0 3 223.364 3.132 20 0 BGADHN CCC[C@H](CC)NCc1ccn(C(C)C)n1 ZINC000082866420 362242730 /nfs/dbraw/zinc/24/27/30/362242730.db2.gz RBEOHXIHTYNANA-LBPRGKRZSA-N 0 3 223.364 3.132 20 0 BGADHN CCCC[C@@H](C)NCc1ccn(C(C)C)n1 ZINC000082866422 362243133 /nfs/dbraw/zinc/24/31/33/362243133.db2.gz NOHWOKWTODJRJR-GFCCVEGCSA-N 0 3 223.364 3.132 20 0 BGADHN CCCC[C@H](C)NCc1ccn(C(C)C)n1 ZINC000082866423 362242930 /nfs/dbraw/zinc/24/29/30/362242930.db2.gz NOHWOKWTODJRJR-LBPRGKRZSA-N 0 3 223.364 3.132 20 0 BGADHN CCN[C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000082918260 170144827 /nfs/dbraw/zinc/14/48/27/170144827.db2.gz GUTFYZUGRFJIRI-NSHDSACASA-N 0 3 248.153 3.026 20 0 BGADHN CCN[C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000082918261 170161810 /nfs/dbraw/zinc/16/18/10/170161810.db2.gz GUTFYZUGRFJIRI-LLVKDONJSA-N 0 3 248.153 3.026 20 0 BGADHN C[C@H](NC1CC1)c1cnc2ccsc2c1 ZINC000082924667 384277440 /nfs/dbraw/zinc/27/74/40/384277440.db2.gz KOZIQPQBMVIEHF-QMMMGPOBSA-N 0 3 218.325 3.109 20 0 BGADHN C[C@@H](NC1CC1)c1cnc2ccsc2c1 ZINC000082924668 384276288 /nfs/dbraw/zinc/27/62/88/384276288.db2.gz KOZIQPQBMVIEHF-MRVPVSSYSA-N 0 3 218.325 3.109 20 0 BGADHN CC[C@H](NCc1ccc(F)cc1F)C1CC1 ZINC000083056317 388044511 /nfs/dbraw/zinc/04/45/11/388044511.db2.gz FCFACMZQUVFJJC-ZDUSSCGKSA-N 0 3 225.282 3.243 20 0 BGADHN CC[C@@H](NCc1ccc(F)cc1F)C1CC1 ZINC000083056318 388044207 /nfs/dbraw/zinc/04/42/07/388044207.db2.gz FCFACMZQUVFJJC-CYBMUJFWSA-N 0 3 225.282 3.243 20 0 BGADHN CC[C@H](NCc1cc(F)ccc1F)C1CC1 ZINC000083056629 388044951 /nfs/dbraw/zinc/04/49/51/388044951.db2.gz AITFKJSXWOVBGB-ZDUSSCGKSA-N 0 3 225.282 3.243 20 0 BGADHN CC[C@@H](NCc1cc(F)ccc1F)C1CC1 ZINC000083056633 388044651 /nfs/dbraw/zinc/04/46/51/388044651.db2.gz AITFKJSXWOVBGB-CYBMUJFWSA-N 0 3 225.282 3.243 20 0 BGADHN CC[C@H](N[C@@H](C)c1nc(C)cs1)C1CC1 ZINC000083056852 384278314 /nfs/dbraw/zinc/27/83/14/384278314.db2.gz FYLIRUXLGPWLOC-ONGXEEELSA-N 0 3 224.373 3.291 20 0 BGADHN CC[C@@H](N[C@@H](C)c1nc(C)cs1)C1CC1 ZINC000083056854 384278667 /nfs/dbraw/zinc/27/86/67/384278667.db2.gz FYLIRUXLGPWLOC-GXSJLCMTSA-N 0 3 224.373 3.291 20 0 BGADHN CC[C@H](N[C@H](C)c1nc(C)cs1)C1CC1 ZINC000083056856 384278993 /nfs/dbraw/zinc/27/89/93/384278993.db2.gz FYLIRUXLGPWLOC-KOLCDFICSA-N 0 3 224.373 3.291 20 0 BGADHN CC[C@@H](N[C@H](C)c1nc(C)cs1)C1CC1 ZINC000083056858 384278624 /nfs/dbraw/zinc/27/86/24/384278624.db2.gz FYLIRUXLGPWLOC-MWLCHTKSSA-N 0 3 224.373 3.291 20 0 BGADHN Fc1cnccc1CNC1CCCCCC1 ZINC000083094045 487810032 /nfs/dbraw/zinc/81/00/32/487810032.db2.gz QNTHBRQPLXXIGI-UHFFFAOYSA-N 0 3 222.307 3.033 20 0 BGADHN C[C@H](NCCC1CCCC1)c1nccs1 ZINC000083143034 384284401 /nfs/dbraw/zinc/28/44/01/384284401.db2.gz KWPAPWWIMMLFGP-JTQLQIEISA-N 0 3 224.373 3.374 20 0 BGADHN C[C@@H](NCCC1CCCC1)c1nccs1 ZINC000083143035 384284690 /nfs/dbraw/zinc/28/46/90/384284690.db2.gz KWPAPWWIMMLFGP-SNVBAGLBSA-N 0 3 224.373 3.374 20 0 BGADHN CC(C)CCCN[C@@H](C)c1nccs1 ZINC000083143093 384283098 /nfs/dbraw/zinc/28/30/98/384283098.db2.gz WEVVDFZQGBXUTN-JTQLQIEISA-N 0 3 212.362 3.230 20 0 BGADHN CC(C)CCCN[C@H](C)c1nccs1 ZINC000083143096 384283455 /nfs/dbraw/zinc/28/34/55/384283455.db2.gz WEVVDFZQGBXUTN-SNVBAGLBSA-N 0 3 212.362 3.230 20 0 BGADHN CCC[C@@H](CC)N[C@@H](C)c1nccs1 ZINC000083143296 169380224 /nfs/dbraw/zinc/38/02/24/169380224.db2.gz GIJVIJDGPOPVNO-VHSXEESVSA-N 0 3 212.362 3.372 20 0 BGADHN CCC[C@H](CC)N[C@@H](C)c1nccs1 ZINC000083143297 188295128 /nfs/dbraw/zinc/29/51/28/188295128.db2.gz GIJVIJDGPOPVNO-UWVGGRQHSA-N 0 3 212.362 3.372 20 0 BGADHN CCC[C@@H](CC)N[C@H](C)c1nccs1 ZINC000083143298 169380446 /nfs/dbraw/zinc/38/04/46/169380446.db2.gz GIJVIJDGPOPVNO-NXEZZACHSA-N 0 3 212.362 3.372 20 0 BGADHN CCC[C@H](CC)N[C@H](C)c1nccs1 ZINC000083143300 384284853 /nfs/dbraw/zinc/28/48/53/384284853.db2.gz GIJVIJDGPOPVNO-ZJUUUORDSA-N 0 3 212.362 3.372 20 0 BGADHN C[C@H](NCC1(C)CCCC1)c1nccs1 ZINC000083143427 384284031 /nfs/dbraw/zinc/28/40/31/384284031.db2.gz VITBYBZGPAMEPQ-JTQLQIEISA-N 0 3 224.373 3.374 20 0 BGADHN C[C@@H](NCC1(C)CCCC1)c1nccs1 ZINC000083143428 384283134 /nfs/dbraw/zinc/28/31/34/384283134.db2.gz VITBYBZGPAMEPQ-SNVBAGLBSA-N 0 3 224.373 3.374 20 0 BGADHN CC(C)[C@@H](C)CN[C@@H](C)c1nccs1 ZINC000083143523 343477645 /nfs/dbraw/zinc/47/76/45/343477645.db2.gz SJVJSVDYVLSVLU-UWVGGRQHSA-N 0 3 212.362 3.086 20 0 BGADHN CC(C)[C@H](C)CN[C@@H](C)c1nccs1 ZINC000083143524 343477991 /nfs/dbraw/zinc/47/79/91/343477991.db2.gz SJVJSVDYVLSVLU-ZJUUUORDSA-N 0 3 212.362 3.086 20 0 BGADHN CC(C)[C@@H](C)CN[C@H](C)c1nccs1 ZINC000083143526 343477917 /nfs/dbraw/zinc/47/79/17/343477917.db2.gz SJVJSVDYVLSVLU-VHSXEESVSA-N 0 3 212.362 3.086 20 0 BGADHN CC(C)[C@H](C)CN[C@H](C)c1nccs1 ZINC000083143527 133518405 /nfs/dbraw/zinc/51/84/05/133518405.db2.gz SJVJSVDYVLSVLU-NXEZZACHSA-N 0 3 212.362 3.086 20 0 BGADHN COc1ccc(CN[C@H]2CC2(C)C)cc1Cl ZINC000083188733 388048096 /nfs/dbraw/zinc/04/80/96/388048096.db2.gz VPEKXFQEZKDFPS-LBPRGKRZSA-N 0 3 239.746 3.237 20 0 BGADHN COc1ccc(CN[C@@H]2CC2(C)C)cc1Cl ZINC000083188736 388048053 /nfs/dbraw/zinc/04/80/53/388048053.db2.gz VPEKXFQEZKDFPS-GFCCVEGCSA-N 0 3 239.746 3.237 20 0 BGADHN CC(C)=CCN1CC[C@@H](OCCC(C)C)C1 ZINC000083247037 487885463 /nfs/dbraw/zinc/88/54/63/487885463.db2.gz RCZHIEQZMJNNHU-CQSZACIVSA-N 0 3 225.376 3.090 20 0 BGADHN CCCCCNCc1cccnc1Cl ZINC000083347206 384761341 /nfs/dbraw/zinc/76/13/41/384761341.db2.gz IHIBQOXUQGWVMP-UHFFFAOYSA-N 0 3 212.724 3.015 20 0 BGADHN CCCCCNCc1ccncc1Cl ZINC000083347208 487905151 /nfs/dbraw/zinc/90/51/51/487905151.db2.gz VWFBUXRFYILIHX-UHFFFAOYSA-N 0 3 212.724 3.015 20 0 BGADHN CC[C@@H](C)NCc1cccc(Cl)c1F ZINC000083348466 384763167 /nfs/dbraw/zinc/76/31/67/384763167.db2.gz KNNCCALSPCLLAR-MRVPVSSYSA-N 0 3 215.699 3.367 20 0 BGADHN CC[C@H](C)NCc1cccc(Cl)c1F ZINC000083348467 171342807 /nfs/dbraw/zinc/34/28/07/171342807.db2.gz KNNCCALSPCLLAR-QMMMGPOBSA-N 0 3 215.699 3.367 20 0 BGADHN CC(C)CNCc1cccc(Cl)c1F ZINC000083348472 167009509 /nfs/dbraw/zinc/00/95/09/167009509.db2.gz MOZJZPXTZOPPEV-UHFFFAOYSA-N 0 3 215.699 3.225 20 0 BGADHN CCCCNCc1cccc(Cl)c1F ZINC000083348475 384761478 /nfs/dbraw/zinc/76/14/78/384761478.db2.gz CJIOCDYZVLZTBQ-UHFFFAOYSA-N 0 3 215.699 3.369 20 0 BGADHN Clc1cnccc1CNC1CCCCC1 ZINC000083353682 384775209 /nfs/dbraw/zinc/77/52/09/384775209.db2.gz YATGHYONVBGWNC-UHFFFAOYSA-N 0 3 224.735 3.157 20 0 BGADHN CCCCCNCc1ccc(OC)cc1F ZINC000083354101 487906043 /nfs/dbraw/zinc/90/60/43/487906043.db2.gz JAYCLUBNSMGYER-UHFFFAOYSA-N 0 3 225.307 3.114 20 0 BGADHN CC(C)(C)CCNCc1c(F)cccc1F ZINC000083355445 384763652 /nfs/dbraw/zinc/76/36/52/384763652.db2.gz FIBMTAUTQKSXFC-UHFFFAOYSA-N 0 3 227.298 3.491 20 0 BGADHN CCC(CC)CNCc1c(F)cccc1F ZINC000083355446 168361145 /nfs/dbraw/zinc/36/11/45/168361145.db2.gz GPSLDUMOLPSJJK-UHFFFAOYSA-N 0 3 227.298 3.491 20 0 BGADHN CC(C)(C)CCNCc1cccc(F)c1F ZINC000083355449 384774219 /nfs/dbraw/zinc/77/42/19/384774219.db2.gz ZDBSGAUYGLIWQW-UHFFFAOYSA-N 0 3 227.298 3.491 20 0 BGADHN CCC(CC)CNCc1cccc(F)c1F ZINC000083355450 168362336 /nfs/dbraw/zinc/36/23/36/168362336.db2.gz QHNVNMGSFPKPKY-UHFFFAOYSA-N 0 3 227.298 3.491 20 0 BGADHN Fc1cc(F)c(CNC2CCCC2)cc1F ZINC000083356591 384761631 /nfs/dbraw/zinc/76/16/31/384761631.db2.gz LPUQVJGWFVZFGQ-UHFFFAOYSA-N 0 3 229.245 3.136 20 0 BGADHN Fc1ccc(CNC2CCCC2)c(F)c1F ZINC000083356592 487906252 /nfs/dbraw/zinc/90/62/52/487906252.db2.gz VPPSMZDGFCOVOV-UHFFFAOYSA-N 0 3 229.245 3.136 20 0 BGADHN CCCCCNCc1cc(F)c(F)cc1F ZINC000083358000 384763397 /nfs/dbraw/zinc/76/33/97/384763397.db2.gz CEZUHZIQSGPAFZ-UHFFFAOYSA-N 0 3 231.261 3.384 20 0 BGADHN CCCCCNCc1ccc(F)c(F)c1F ZINC000083358001 487904377 /nfs/dbraw/zinc/90/43/77/487904377.db2.gz CABMVIYWDKLQSD-UHFFFAOYSA-N 0 3 231.261 3.384 20 0 BGADHN CC(C)CCNCc1cc(F)c(F)cc1F ZINC000083358003 384762578 /nfs/dbraw/zinc/76/25/78/384762578.db2.gz BBAOWHIVETYEQH-UHFFFAOYSA-N 0 3 231.261 3.240 20 0 BGADHN CC(C)CCNCc1ccc(F)c(F)c1F ZINC000083358004 487904458 /nfs/dbraw/zinc/90/44/58/487904458.db2.gz LMENYTKIMTURBL-UHFFFAOYSA-N 0 3 231.261 3.240 20 0 BGADHN Cc1nc([C@H](C)N)sc1Cc1ccccc1 ZINC000083358994 643440091 /nfs/dbraw/zinc/44/00/91/643440091.db2.gz KTYADAWGSNWLFV-VIFPVBQESA-N 0 3 232.352 3.062 20 0 BGADHN Fc1ccc(CNC2CC2)c(C(F)(F)F)c1 ZINC000083359386 384765900 /nfs/dbraw/zinc/76/59/00/384765900.db2.gz HGZBBYDCOLNDFW-UHFFFAOYSA-N 0 3 233.208 3.097 20 0 BGADHN Fc1cc(CNC2CC2)cc(C(F)(F)F)c1 ZINC000083359387 384765226 /nfs/dbraw/zinc/76/52/26/384765226.db2.gz FFPXDNZACXEPOT-UHFFFAOYSA-N 0 3 233.208 3.097 20 0 BGADHN c1cc2cccc(CNCc3ccccc3)c2[nH]1 ZINC000083363860 384765533 /nfs/dbraw/zinc/76/55/33/384765533.db2.gz XYPDHTWEUKGKDU-UHFFFAOYSA-N 0 3 236.318 3.458 20 0 BGADHN CC1CCC([NH2+]Cc2ccc([O-])c(F)c2)CC1 ZINC000083364980 388049101 /nfs/dbraw/zinc/04/91/01/388049101.db2.gz HIGOHCKAUZUSEC-UHFFFAOYSA-N 0 3 237.318 3.200 20 0 BGADHN COc1ccc(CNC2CCCCC2)c(F)c1 ZINC000083364986 175106117 /nfs/dbraw/zinc/10/61/17/175106117.db2.gz YIVXPTJPKHPEIJ-UHFFFAOYSA-N 0 3 237.318 3.257 20 0 BGADHN C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc([O-])c(F)c1 ZINC000083364990 176081025 /nfs/dbraw/zinc/08/10/25/176081025.db2.gz JYVMQBYMSXUOHN-MFKMUULPSA-N 0 3 237.318 3.200 20 0 BGADHN C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc([O-])c(F)c1 ZINC000083364991 177083677 /nfs/dbraw/zinc/08/36/77/177083677.db2.gz JYVMQBYMSXUOHN-GWCFXTLKSA-N 0 3 237.318 3.200 20 0 BGADHN C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc([O-])c(F)c1 ZINC000083364992 176088789 /nfs/dbraw/zinc/08/87/89/176088789.db2.gz JYVMQBYMSXUOHN-ZWNOBZJWSA-N 0 3 237.318 3.200 20 0 BGADHN C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc([O-])c(F)c1 ZINC000083364993 177089028 /nfs/dbraw/zinc/08/90/28/177089028.db2.gz JYVMQBYMSXUOHN-GXFFZTMASA-N 0 3 237.318 3.200 20 0 BGADHN C[C@@H]1CCCC[C@@H]1NCc1cccnc1Cl ZINC000083366580 176081455 /nfs/dbraw/zinc/08/14/55/176081455.db2.gz HCQFVRGDHJDPRG-PWSUYJOCSA-N 0 3 238.762 3.403 20 0 BGADHN C[C@H]1CCCC[C@@H]1NCc1cccnc1Cl ZINC000083366581 177083405 /nfs/dbraw/zinc/08/34/05/177083405.db2.gz HCQFVRGDHJDPRG-JQWIXIFHSA-N 0 3 238.762 3.403 20 0 BGADHN C[C@@H]1CCCC[C@H]1NCc1cccnc1Cl ZINC000083366582 176088435 /nfs/dbraw/zinc/08/84/35/176088435.db2.gz HCQFVRGDHJDPRG-ZYHUDNBSSA-N 0 3 238.762 3.403 20 0 BGADHN C[C@H]1CCCC[C@H]1NCc1cccnc1Cl ZINC000083366583 177088957 /nfs/dbraw/zinc/08/89/57/177088957.db2.gz HCQFVRGDHJDPRG-CMPLNLGQSA-N 0 3 238.762 3.403 20 0 BGADHN C[C@@H]1CCCC[C@@H]1NCc1ccncc1Cl ZINC000083366584 176081279 /nfs/dbraw/zinc/08/12/79/176081279.db2.gz YAYMKFNKMMLVDC-MFKMUULPSA-N 0 3 238.762 3.403 20 0 BGADHN C[C@H]1CCCC[C@@H]1NCc1ccncc1Cl ZINC000083366585 177083644 /nfs/dbraw/zinc/08/36/44/177083644.db2.gz YAYMKFNKMMLVDC-GWCFXTLKSA-N 0 3 238.762 3.403 20 0 BGADHN C[C@@H]1CCCC[C@H]1NCc1ccncc1Cl ZINC000083366586 176088815 /nfs/dbraw/zinc/08/88/15/176088815.db2.gz YAYMKFNKMMLVDC-ZWNOBZJWSA-N 0 3 238.762 3.403 20 0 BGADHN C[C@H]1CCCC[C@H]1NCc1ccncc1Cl ZINC000083366587 177088814 /nfs/dbraw/zinc/08/88/14/177088814.db2.gz YAYMKFNKMMLVDC-GXFFZTMASA-N 0 3 238.762 3.403 20 0 BGADHN Oc1ccc(CNC/C=C/c2ccccc2)cc1 ZINC000083367196 183269672 /nfs/dbraw/zinc/26/96/72/183269672.db2.gz JABSLWBEVJBROE-QPJJXVBHSA-N 0 3 239.318 3.195 20 0 BGADHN Cc1cccc(CNCCCOC(C)C)c1F ZINC000083367285 384292785 /nfs/dbraw/zinc/29/27/85/384292785.db2.gz PLJQFPPSDWQKCD-UHFFFAOYSA-N 0 3 239.334 3.039 20 0 BGADHN Cc1ccc(CNC2CC2)c(Br)c1 ZINC000083367731 384766482 /nfs/dbraw/zinc/76/64/82/384766482.db2.gz MFYBQFIMEMMRGK-UHFFFAOYSA-N 0 3 240.144 3.010 20 0 BGADHN CCCc1ccc(CNCc2cccnc2)cc1 ZINC000083368623 343588942 /nfs/dbraw/zinc/58/89/42/343588942.db2.gz AFHAUSGJSFKBCH-UHFFFAOYSA-N 0 3 240.350 3.324 20 0 BGADHN CCc1ccc(CNCc2ccc(O)cc2)cc1 ZINC000083369518 388049392 /nfs/dbraw/zinc/04/93/92/388049392.db2.gz ZSJCETAADLNQHJ-UHFFFAOYSA-N 0 3 241.334 3.244 20 0 BGADHN Cc1ccc(CNCc2ccc(O)cc2)cc1C ZINC000083369519 384765627 /nfs/dbraw/zinc/76/56/27/384765627.db2.gz QKHXGKIVTFPIRP-UHFFFAOYSA-N 0 3 241.334 3.299 20 0 BGADHN Cc1ccc(C)c(CNCc2ccc(O)cc2)c1 ZINC000083369520 388049913 /nfs/dbraw/zinc/04/99/13/388049913.db2.gz BDSWRAPMZQVLAI-UHFFFAOYSA-N 0 3 241.334 3.299 20 0 BGADHN Cc1cc(C)cc(CNCc2ccc(O)cc2)c1 ZINC000083369521 188315729 /nfs/dbraw/zinc/31/57/29/188315729.db2.gz UEZGZHGXXWCVNC-UHFFFAOYSA-N 0 3 241.334 3.299 20 0 BGADHN Cc1cccc(C)c1CNCc1ccc(O)cc1 ZINC000083369522 179037890 /nfs/dbraw/zinc/03/78/90/179037890.db2.gz XBXQUZQRUNTBJQ-UHFFFAOYSA-N 0 3 241.334 3.299 20 0 BGADHN Cc1cccc(CNCc2ccc(O)cc2)c1C ZINC000083369523 179094334 /nfs/dbraw/zinc/09/43/34/179094334.db2.gz PGOBOCXAMOPMHZ-UHFFFAOYSA-N 0 3 241.334 3.299 20 0 BGADHN CCCNCc1ccc(C)cc1Br ZINC000083370030 169267263 /nfs/dbraw/zinc/26/72/63/169267263.db2.gz FENXJYLZHFQENQ-UHFFFAOYSA-N 0 3 242.160 3.257 20 0 BGADHN Cc1ccc(CNC(C)C)c(Br)c1 ZINC000083370032 384765723 /nfs/dbraw/zinc/76/57/23/384765723.db2.gz HPIWSZXYRIZMPP-UHFFFAOYSA-N 0 3 242.160 3.256 20 0 BGADHN Cc1ccc(CCNCc2ccccc2F)cc1 ZINC000083371862 343588745 /nfs/dbraw/zinc/58/87/45/343588745.db2.gz IDCWYQNAXHRSNF-UHFFFAOYSA-N 0 3 243.325 3.466 20 0 BGADHN Cc1ccc(CNCc2ccc(O)cc2)cc1F ZINC000083373956 387407675 /nfs/dbraw/zinc/40/76/75/387407675.db2.gz KMKQLVJGZZMDPO-UHFFFAOYSA-N 0 3 245.297 3.130 20 0 BGADHN Cc1cc(CNCc2ccc(O)cc2)ccc1F ZINC000083373957 178027082 /nfs/dbraw/zinc/02/70/82/178027082.db2.gz XULOPEBZIPLPPB-UHFFFAOYSA-N 0 3 245.297 3.130 20 0 BGADHN Cc1cc(F)ccc1CNCc1ccc(O)cc1 ZINC000083373959 178087524 /nfs/dbraw/zinc/08/75/24/178087524.db2.gz VNFZYEDPFRHMTP-UHFFFAOYSA-N 0 3 245.297 3.130 20 0 BGADHN Cc1ccccc1C[NH2+]Cc1ccc([O-])c(F)c1 ZINC000083374049 179282872 /nfs/dbraw/zinc/28/28/72/179282872.db2.gz FMUNWCXVHFBTQC-UHFFFAOYSA-N 0 3 245.297 3.130 20 0 BGADHN Cc1ccc(C[NH2+]Cc2ccc([O-])c(F)c2)cc1 ZINC000083374085 388048533 /nfs/dbraw/zinc/04/85/33/388048533.db2.gz FWYDRMVZEQYWRS-UHFFFAOYSA-N 0 3 245.297 3.130 20 0 BGADHN CCOc1cccc(CCNCc2ccco2)c1 ZINC000083374194 384765213 /nfs/dbraw/zinc/76/52/13/384765213.db2.gz AWFZABLDBKMYJN-UHFFFAOYSA-N 0 3 245.322 3.011 20 0 BGADHN Clc1ncccc1CNCCc1ccccc1 ZINC000083376154 643444448 /nfs/dbraw/zinc/44/44/48/643444448.db2.gz BEYYWRJIJDTBHX-UHFFFAOYSA-N 0 3 246.741 3.067 20 0 BGADHN COCCCNCc1cc(Cl)ccc1Cl ZINC000083377969 174247452 /nfs/dbraw/zinc/24/74/52/174247452.db2.gz PDLLBFAMVWUIIU-UHFFFAOYSA-N 0 3 248.153 3.120 20 0 BGADHN CCC(CC)(CC)NCc1cscn1 ZINC000083387946 168317494 /nfs/dbraw/zinc/31/74/94/168317494.db2.gz SHKMTSGYSRAZET-UHFFFAOYSA-N 0 3 212.362 3.202 20 0 BGADHN CCC(CC)(CC)NCc1nccs1 ZINC000083387959 168317526 /nfs/dbraw/zinc/31/75/26/168317526.db2.gz FEJIZSXLLYWPHL-UHFFFAOYSA-N 0 3 212.362 3.202 20 0 BGADHN CCC(CC)(CC)NCc1nc(C)c(C)o1 ZINC000083388114 350192430 /nfs/dbraw/zinc/19/24/30/350192430.db2.gz NKVVQWGKZGSQQH-UHFFFAOYSA-N 0 3 224.348 3.350 20 0 BGADHN CCC(CC)(CC)NCc1ncc(Cl)n1C ZINC000083388127 168317592 /nfs/dbraw/zinc/31/75/92/168317592.db2.gz OTEXZTOOHUUEDD-UHFFFAOYSA-N 0 3 243.782 3.132 20 0 BGADHN CC[C@H](N[C@@H]1CCC[C@@H]1C)c1nccs1 ZINC000083391828 384294843 /nfs/dbraw/zinc/29/48/43/384294843.db2.gz XDTWNXGDXPVTSE-GARJFASQSA-N 0 3 224.373 3.372 20 0 BGADHN CC[C@H](N[C@H]1CCC[C@@H]1C)c1nccs1 ZINC000083391833 384296357 /nfs/dbraw/zinc/29/63/57/384296357.db2.gz XDTWNXGDXPVTSE-DCAQKATOSA-N 0 3 224.373 3.372 20 0 BGADHN Cc1csc([C@H](C)N[C@@H]2CCC[C@@H]2C)n1 ZINC000083391841 384295227 /nfs/dbraw/zinc/29/52/27/384295227.db2.gz PFQDPMZMVZCCHP-INTQDDNPSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1csc([C@H](C)N[C@H]2CCC[C@@H]2C)n1 ZINC000083391847 135447680 /nfs/dbraw/zinc/44/76/80/135447680.db2.gz PFQDPMZMVZCCHP-LSJOCFKGSA-N 0 3 224.373 3.291 20 0 BGADHN COC[C@@H](NCc1ccc(Cl)s1)C(C)C ZINC000083397462 343594278 /nfs/dbraw/zinc/59/42/78/343594278.db2.gz XSNQCPVGFJPJQJ-SNVBAGLBSA-N 0 3 247.791 3.162 20 0 BGADHN COC[C@H](NCc1ccc(Cl)s1)C(C)C ZINC000083397464 343594296 /nfs/dbraw/zinc/59/42/96/343594296.db2.gz XSNQCPVGFJPJQJ-JTQLQIEISA-N 0 3 247.791 3.162 20 0 BGADHN COC[C@@H](NCc1ccccc1Cl)C(C)C ZINC000083397870 350195203 /nfs/dbraw/zinc/19/52/03/350195203.db2.gz IRQWFEDSIVBASK-CYBMUJFWSA-N 0 3 241.762 3.101 20 0 BGADHN COC[C@H](NCc1ccccc1Cl)C(C)C ZINC000083397873 350194924 /nfs/dbraw/zinc/19/49/24/350194924.db2.gz IRQWFEDSIVBASK-ZDUSSCGKSA-N 0 3 241.762 3.101 20 0 BGADHN COC[C@@H](N[C@@H](C)c1ccsc1)C(C)C ZINC000083398119 325567739 /nfs/dbraw/zinc/56/77/39/325567739.db2.gz FFIVBKUPZPIBSE-CMPLNLGQSA-N 0 3 227.373 3.070 20 0 BGADHN COC[C@H](N[C@@H](C)c1ccsc1)C(C)C ZINC000083398121 388639306 /nfs/dbraw/zinc/63/93/06/388639306.db2.gz FFIVBKUPZPIBSE-JQWIXIFHSA-N 0 3 227.373 3.070 20 0 BGADHN COC[C@@H](N[C@H](C)c1ccsc1)C(C)C ZINC000083398123 388638986 /nfs/dbraw/zinc/63/89/86/388638986.db2.gz FFIVBKUPZPIBSE-ZYHUDNBSSA-N 0 3 227.373 3.070 20 0 BGADHN COC[C@H](N[C@H](C)c1ccsc1)C(C)C ZINC000083398126 388638975 /nfs/dbraw/zinc/63/89/75/388638975.db2.gz FFIVBKUPZPIBSE-PWSUYJOCSA-N 0 3 227.373 3.070 20 0 BGADHN CC1(C)CN(Cc2ccc(F)cc2)CCS1 ZINC000083415459 388051688 /nfs/dbraw/zinc/05/16/88/388051688.db2.gz OESBCGKGEBGGPY-UHFFFAOYSA-N 0 3 239.359 3.153 20 0 BGADHN CC1(C)CN(Cc2cccc(F)c2)CCS1 ZINC000083416382 388050993 /nfs/dbraw/zinc/05/09/93/388050993.db2.gz UGZOJPCAAHGIGM-UHFFFAOYSA-N 0 3 239.359 3.153 20 0 BGADHN CC[C@](C)(O)CNc1cc(C)nc2ccccc21 ZINC000083421429 398281509 /nfs/dbraw/zinc/28/15/09/398281509.db2.gz GVCMKPKZTMMUCI-HNNXBMFYSA-N 0 3 244.338 3.116 20 0 BGADHN CC[C@@](C)(O)CNc1cc(C)nc2ccccc21 ZINC000083421430 171185553 /nfs/dbraw/zinc/18/55/53/171185553.db2.gz GVCMKPKZTMMUCI-OAHLLOKOSA-N 0 3 244.338 3.116 20 0 BGADHN C[C@@H]1CCC[C@H](NCc2nccs2)CC1 ZINC000083427812 491161630 /nfs/dbraw/zinc/16/16/30/491161630.db2.gz GLULNCCVUHWVEO-MNOVXSKESA-N 0 3 224.373 3.202 20 0 BGADHN C[C@H]1CCC[C@H](NCc2nccs2)CC1 ZINC000083427813 491161612 /nfs/dbraw/zinc/16/16/12/491161612.db2.gz GLULNCCVUHWVEO-QWRGUYRKSA-N 0 3 224.373 3.202 20 0 BGADHN C[C@@H]1CCC[C@@H](NCc2nccs2)CC1 ZINC000083427814 491161628 /nfs/dbraw/zinc/16/16/28/491161628.db2.gz GLULNCCVUHWVEO-GHMZBOCLSA-N 0 3 224.373 3.202 20 0 BGADHN C[C@H]1CCC[C@@H](NCc2nccs2)CC1 ZINC000083427815 491161610 /nfs/dbraw/zinc/16/16/10/491161610.db2.gz GLULNCCVUHWVEO-WDEREUQCSA-N 0 3 224.373 3.202 20 0 BGADHN Cc1cc(CN[C@@H]2CCC[C@H](C)CC2)no1 ZINC000083427880 350211204 /nfs/dbraw/zinc/21/12/04/350211204.db2.gz RCNHNLYVPVZGNS-CMPLNLGQSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1cc(CN[C@H]2CCC[C@H](C)CC2)no1 ZINC000083427881 350211104 /nfs/dbraw/zinc/21/11/04/350211104.db2.gz RCNHNLYVPVZGNS-JQWIXIFHSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1cc(CN[C@@H]2CCC[C@@H](C)CC2)no1 ZINC000083427882 350211295 /nfs/dbraw/zinc/21/12/95/350211295.db2.gz RCNHNLYVPVZGNS-ZYHUDNBSSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1cc(CN[C@H]2CCC[C@@H](C)CC2)no1 ZINC000083427883 350211278 /nfs/dbraw/zinc/21/12/78/350211278.db2.gz RCNHNLYVPVZGNS-PWSUYJOCSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1cc(CN[C@@H]2CCC[C@H](C)CC2)on1 ZINC000083427896 487911984 /nfs/dbraw/zinc/91/19/84/487911984.db2.gz XHHKPZNMUFFRAP-CMPLNLGQSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1cc(CN[C@H]2CCC[C@H](C)CC2)on1 ZINC000083427897 487911884 /nfs/dbraw/zinc/91/18/84/487911884.db2.gz XHHKPZNMUFFRAP-JQWIXIFHSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1cc(CN[C@@H]2CCC[C@@H](C)CC2)on1 ZINC000083427898 487911823 /nfs/dbraw/zinc/91/18/23/487911823.db2.gz XHHKPZNMUFFRAP-ZYHUDNBSSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1cc(CN[C@H]2CCC[C@@H](C)CC2)on1 ZINC000083427899 487911864 /nfs/dbraw/zinc/91/18/64/487911864.db2.gz XHHKPZNMUFFRAP-PWSUYJOCSA-N 0 3 222.332 3.041 20 0 BGADHN C[C@@H]1CCC[C@H](NCc2cscn2)CC1 ZINC000083428050 176144013 /nfs/dbraw/zinc/14/40/13/176144013.db2.gz LRRYUTZLEPTOBN-MNOVXSKESA-N 0 3 224.373 3.202 20 0 BGADHN C[C@H]1CCC[C@H](NCc2cscn2)CC1 ZINC000083428051 177136917 /nfs/dbraw/zinc/13/69/17/177136917.db2.gz LRRYUTZLEPTOBN-QWRGUYRKSA-N 0 3 224.373 3.202 20 0 BGADHN C[C@@H]1CCC[C@@H](NCc2cscn2)CC1 ZINC000083428052 176124570 /nfs/dbraw/zinc/12/45/70/176124570.db2.gz LRRYUTZLEPTOBN-GHMZBOCLSA-N 0 3 224.373 3.202 20 0 BGADHN C[C@H]1CCC[C@@H](NCc2cscn2)CC1 ZINC000083428053 177123155 /nfs/dbraw/zinc/12/31/55/177123155.db2.gz LRRYUTZLEPTOBN-WDEREUQCSA-N 0 3 224.373 3.202 20 0 BGADHN CC[C@](C)(O)CN[C@@H](C)c1ccccc1Cl ZINC000083462480 384773662 /nfs/dbraw/zinc/77/36/62/384773662.db2.gz OFWXMKZQKVVOJK-GWCFXTLKSA-N 0 3 241.762 3.152 20 0 BGADHN CC[C@@](C)(O)CN[C@@H](C)c1ccccc1Cl ZINC000083462482 171184167 /nfs/dbraw/zinc/18/41/67/171184167.db2.gz OFWXMKZQKVVOJK-GXFFZTMASA-N 0 3 241.762 3.152 20 0 BGADHN CC[C@](C)(O)CN[C@H](C)c1ccccc1Cl ZINC000083462483 384773438 /nfs/dbraw/zinc/77/34/38/384773438.db2.gz OFWXMKZQKVVOJK-MFKMUULPSA-N 0 3 241.762 3.152 20 0 BGADHN CC[C@@](C)(O)CN[C@H](C)c1ccccc1Cl ZINC000083462485 171185510 /nfs/dbraw/zinc/18/55/10/171185510.db2.gz OFWXMKZQKVVOJK-ZWNOBZJWSA-N 0 3 241.762 3.152 20 0 BGADHN CC[C@](C)(O)CN[C@@H](C)c1ccc(Cl)s1 ZINC000083462521 384305681 /nfs/dbraw/zinc/30/56/81/384305681.db2.gz QZPHPRNIWLWNDX-KWQFWETISA-N 0 3 247.791 3.213 20 0 BGADHN CC[C@@](C)(O)CN[C@@H](C)c1ccc(Cl)s1 ZINC000083462523 171184241 /nfs/dbraw/zinc/18/42/41/171184241.db2.gz QZPHPRNIWLWNDX-GZMMTYOYSA-N 0 3 247.791 3.213 20 0 BGADHN CC[C@](C)(O)CN[C@H](C)c1ccc(Cl)s1 ZINC000083462525 384304920 /nfs/dbraw/zinc/30/49/20/384304920.db2.gz QZPHPRNIWLWNDX-KCJUWKMLSA-N 0 3 247.791 3.213 20 0 BGADHN CC[C@@](C)(O)CN[C@H](C)c1ccc(Cl)s1 ZINC000083462527 171186003 /nfs/dbraw/zinc/18/60/03/171186003.db2.gz QZPHPRNIWLWNDX-LDYMZIIASA-N 0 3 247.791 3.213 20 0 BGADHN CCCNCc1c(Cl)cccc1OC(F)F ZINC000083522939 343624082 /nfs/dbraw/zinc/62/40/82/343624082.db2.gz FINBKYRJTABFIM-UHFFFAOYSA-N 0 3 249.688 3.441 20 0 BGADHN CC(C)NCc1c(Cl)cccc1OC(F)F ZINC000083522943 343624360 /nfs/dbraw/zinc/62/43/60/343624360.db2.gz UQPZLJWLTKCKJH-UHFFFAOYSA-N 0 3 249.688 3.439 20 0 BGADHN CCNCc1c(Cl)cccc1OC(F)F ZINC000083522947 343624340 /nfs/dbraw/zinc/62/43/40/343624340.db2.gz REPZRKIEAHLUHP-UHFFFAOYSA-N 0 3 235.661 3.051 20 0 BGADHN Fc1ccc(C(F)(F)F)cc1CNCC1CC1 ZINC000083551776 350242190 /nfs/dbraw/zinc/24/21/90/350242190.db2.gz HWCSLTUJMOTQQS-UHFFFAOYSA-N 0 3 247.235 3.344 20 0 BGADHN CCOc1ccc(CN2CCCC[C@H]2CC)nc1 ZINC000083595641 491162293 /nfs/dbraw/zinc/16/22/93/491162293.db2.gz PVFLHBIRDWHZNO-CQSZACIVSA-N 0 3 248.370 3.245 20 0 BGADHN CCOc1ccc(CN2CCCC[C@@H]2CC)nc1 ZINC000083595643 491162279 /nfs/dbraw/zinc/16/22/79/491162279.db2.gz PVFLHBIRDWHZNO-AWEZNQCLSA-N 0 3 248.370 3.245 20 0 BGADHN CCOc1ccc(CN(C)C2CCCCC2)nc1 ZINC000083595645 491162321 /nfs/dbraw/zinc/16/23/21/491162321.db2.gz ZARVTBMZFONLIL-UHFFFAOYSA-N 0 3 248.370 3.245 20 0 BGADHN CCCCN(CC)Cc1ccc(OCC)cn1 ZINC000083596151 491162318 /nfs/dbraw/zinc/16/23/18/491162318.db2.gz JCNAXTHBFUCLPC-UHFFFAOYSA-N 0 3 236.359 3.102 20 0 BGADHN CC(C)(CNCc1ccccn1)c1cccs1 ZINC000083601813 188142560 /nfs/dbraw/zinc/14/25/60/188142560.db2.gz CQXAGCKIYHVPNC-UHFFFAOYSA-N 0 3 246.379 3.211 20 0 BGADHN CCCNCc1sc(C)cc1Br ZINC000083678585 384321091 /nfs/dbraw/zinc/32/10/91/384321091.db2.gz NSOJCWNCRVICCA-UHFFFAOYSA-N 0 3 248.189 3.319 20 0 BGADHN Cc1csc(CNCCc2ccccc2C)n1 ZINC000083704655 384793414 /nfs/dbraw/zinc/79/34/14/384793414.db2.gz GNIYAQCVTVSTMM-UHFFFAOYSA-N 0 3 246.379 3.092 20 0 BGADHN Cc1csc(CNCCc2cccc(C)c2)n1 ZINC000083704821 179058098 /nfs/dbraw/zinc/05/80/98/179058098.db2.gz ZPJJEBGLEAUFHE-UHFFFAOYSA-N 0 3 246.379 3.092 20 0 BGADHN C[C@H](N[C@@H](C)C(C)(C)O)c1ccccc1Cl ZINC000083725402 491162678 /nfs/dbraw/zinc/16/26/78/491162678.db2.gz CILBMDBVVZBQBC-UWVGGRQHSA-N 0 3 241.762 3.150 20 0 BGADHN C[C@@H](N[C@@H](C)C(C)(C)O)c1ccccc1Cl ZINC000083725406 491162673 /nfs/dbraw/zinc/16/26/73/491162673.db2.gz CILBMDBVVZBQBC-ZJUUUORDSA-N 0 3 241.762 3.150 20 0 BGADHN C[C@@H](N[C@@H](C)c1ccccc1Cl)C(C)(C)O ZINC000083725410 491162647 /nfs/dbraw/zinc/16/26/47/491162647.db2.gz CILBMDBVVZBQBC-VHSXEESVSA-N 0 3 241.762 3.150 20 0 BGADHN C[C@@H](N[C@H](C)C(C)(C)O)c1ccccc1Cl ZINC000083725414 491162664 /nfs/dbraw/zinc/16/26/64/491162664.db2.gz CILBMDBVVZBQBC-NXEZZACHSA-N 0 3 241.762 3.150 20 0 BGADHN C[C@H](N[C@@H](C)C(C)(C)O)c1ccc(Cl)s1 ZINC000083726525 491112633 /nfs/dbraw/zinc/11/26/33/491112633.db2.gz NLRAIMWVHBEAAP-YUMQZZPRSA-N 0 3 247.791 3.212 20 0 BGADHN C[C@@H](N[C@@H](C)C(C)(C)O)c1ccc(Cl)s1 ZINC000083726528 491162759 /nfs/dbraw/zinc/16/27/59/491162759.db2.gz NLRAIMWVHBEAAP-SFYZADRCSA-N 0 3 247.791 3.212 20 0 BGADHN C[C@@H](N[C@@H](C)c1ccc(Cl)s1)C(C)(C)O ZINC000083726532 491162737 /nfs/dbraw/zinc/16/27/37/491162737.db2.gz NLRAIMWVHBEAAP-JGVFFNPUSA-N 0 3 247.791 3.212 20 0 BGADHN C[C@@H](N[C@H](C)C(C)(C)O)c1ccc(Cl)s1 ZINC000083726536 491162739 /nfs/dbraw/zinc/16/27/39/491162739.db2.gz NLRAIMWVHBEAAP-HTQZYQBOSA-N 0 3 247.791 3.212 20 0 BGADHN COc1cccc(Cl)c1CNCC(C)C ZINC000083774649 384327610 /nfs/dbraw/zinc/32/76/10/384327610.db2.gz GDTYJQTXOTXFCX-UHFFFAOYSA-N 0 3 227.735 3.094 20 0 BGADHN CCc1cccc2cc(CNC3CC3)oc21 ZINC000083820864 487938823 /nfs/dbraw/zinc/93/88/23/487938823.db2.gz BXIFZONMUUKAAD-UHFFFAOYSA-N 0 3 215.296 3.247 20 0 BGADHN CCNCc1cc2cccc(CC)c2o1 ZINC000083820866 487938771 /nfs/dbraw/zinc/93/87/71/487938771.db2.gz SXKHZVMQTZXLLV-UHFFFAOYSA-N 0 3 203.285 3.105 20 0 BGADHN CC[C@@H](C)C[C@@H](C)NCc1cscn1 ZINC000083863455 384343908 /nfs/dbraw/zinc/34/39/08/384343908.db2.gz UEYGEZLXVMGVAP-NXEZZACHSA-N 0 3 212.362 3.057 20 0 BGADHN CC[C@H](C)C[C@@H](C)NCc1cscn1 ZINC000083863456 171295327 /nfs/dbraw/zinc/29/53/27/171295327.db2.gz UEYGEZLXVMGVAP-VHSXEESVSA-N 0 3 212.362 3.057 20 0 BGADHN CC[C@@H](C)C[C@H](C)NCc1cscn1 ZINC000083863457 384345037 /nfs/dbraw/zinc/34/50/37/384345037.db2.gz UEYGEZLXVMGVAP-ZJUUUORDSA-N 0 3 212.362 3.057 20 0 BGADHN CC[C@H](C)C[C@H](C)NCc1cscn1 ZINC000083863458 171298347 /nfs/dbraw/zinc/29/83/47/171298347.db2.gz UEYGEZLXVMGVAP-UWVGGRQHSA-N 0 3 212.362 3.057 20 0 BGADHN CC[C@@H](C)C[C@@H](C)NCc1csc(C)n1 ZINC000083864321 384345011 /nfs/dbraw/zinc/34/50/11/384345011.db2.gz WLJMAFORMTURSA-NXEZZACHSA-N 0 3 226.389 3.366 20 0 BGADHN CC[C@H](C)C[C@@H](C)NCc1csc(C)n1 ZINC000083864322 171295186 /nfs/dbraw/zinc/29/51/86/171295186.db2.gz WLJMAFORMTURSA-VHSXEESVSA-N 0 3 226.389 3.366 20 0 BGADHN CC[C@@H](C)C[C@H](C)NCc1csc(C)n1 ZINC000083864323 384344771 /nfs/dbraw/zinc/34/47/71/384344771.db2.gz WLJMAFORMTURSA-ZJUUUORDSA-N 0 3 226.389 3.366 20 0 BGADHN CC[C@H](C)C[C@H](C)NCc1csc(C)n1 ZINC000083864324 171298576 /nfs/dbraw/zinc/29/85/76/171298576.db2.gz WLJMAFORMTURSA-UWVGGRQHSA-N 0 3 226.389 3.366 20 0 BGADHN CC[C@@H](C)C[C@@H](C)NCc1nccs1 ZINC000083864353 343680164 /nfs/dbraw/zinc/68/01/64/343680164.db2.gz YXZAAJIOCHRCDT-NXEZZACHSA-N 0 3 212.362 3.057 20 0 BGADHN CC[C@H](C)C[C@@H](C)NCc1nccs1 ZINC000083864354 343679966 /nfs/dbraw/zinc/67/99/66/343679966.db2.gz YXZAAJIOCHRCDT-VHSXEESVSA-N 0 3 212.362 3.057 20 0 BGADHN CC[C@@H](C)C[C@H](C)NCc1nccs1 ZINC000083864355 343680298 /nfs/dbraw/zinc/68/02/98/343680298.db2.gz YXZAAJIOCHRCDT-ZJUUUORDSA-N 0 3 212.362 3.057 20 0 BGADHN CC[C@H](C)C[C@H](C)NCc1nccs1 ZINC000083864356 343680173 /nfs/dbraw/zinc/68/01/73/343680173.db2.gz YXZAAJIOCHRCDT-UWVGGRQHSA-N 0 3 212.362 3.057 20 0 BGADHN C[C@H](NCCC1CC1)c1ccccc1F ZINC000083893273 384921200 /nfs/dbraw/zinc/92/12/00/384921200.db2.gz IEJWSLVVWRZODD-JTQLQIEISA-N 0 3 207.292 3.276 20 0 BGADHN C[C@@H](NCCC1CC1)c1ccccc1F ZINC000083893274 384922211 /nfs/dbraw/zinc/92/22/11/384922211.db2.gz IEJWSLVVWRZODD-SNVBAGLBSA-N 0 3 207.292 3.276 20 0 BGADHN Fc1cccc(Cl)c1CNCCC1CC1 ZINC000083893280 384921651 /nfs/dbraw/zinc/92/16/51/384921651.db2.gz IKEVSLPHUAZPAX-UHFFFAOYSA-N 0 3 227.710 3.369 20 0 BGADHN Clc1ccccc1CNCCC1CC1 ZINC000083893336 343682285 /nfs/dbraw/zinc/68/22/85/343682285.db2.gz XUBLYWUUFRRZFF-UHFFFAOYSA-N 0 3 209.720 3.230 20 0 BGADHN C[C@H](NCCC1CC1)c1ccc(F)cc1F ZINC000083893428 352055597 /nfs/dbraw/zinc/05/55/97/352055597.db2.gz LLEMYHLGAAFPJB-VIFPVBQESA-N 0 3 225.282 3.416 20 0 BGADHN C[C@@H](NCCC1CC1)c1ccc(F)cc1F ZINC000083893429 352055745 /nfs/dbraw/zinc/05/57/45/352055745.db2.gz LLEMYHLGAAFPJB-SECBINFHSA-N 0 3 225.282 3.416 20 0 BGADHN C[C@H](NCCC1CC1)c1cc(F)ccc1F ZINC000083893545 352055693 /nfs/dbraw/zinc/05/56/93/352055693.db2.gz VYXHEANOKWQUPT-VIFPVBQESA-N 0 3 225.282 3.416 20 0 BGADHN C[C@@H](NCCC1CC1)c1cc(F)ccc1F ZINC000083893546 352055710 /nfs/dbraw/zinc/05/57/10/352055710.db2.gz VYXHEANOKWQUPT-SECBINFHSA-N 0 3 225.282 3.416 20 0 BGADHN Cc1nc([C@@H](C)NCCC2CC2)c(C)s1 ZINC000083893553 538112348 /nfs/dbraw/zinc/11/23/48/538112348.db2.gz YPTJVZYMYDMTKV-MRVPVSSYSA-N 0 3 224.373 3.211 20 0 BGADHN Cc1nc([C@H](C)NCCC2CC2)c(C)s1 ZINC000083893554 538112209 /nfs/dbraw/zinc/11/22/09/538112209.db2.gz YPTJVZYMYDMTKV-QMMMGPOBSA-N 0 3 224.373 3.211 20 0 BGADHN C[C@H](NCCC1CC1)c1c(F)cccc1F ZINC000083893657 352055646 /nfs/dbraw/zinc/05/56/46/352055646.db2.gz MJQGTXSUSQMRCN-VIFPVBQESA-N 0 3 225.282 3.416 20 0 BGADHN C[C@@H](NCCC1CC1)c1c(F)cccc1F ZINC000083893658 352055670 /nfs/dbraw/zinc/05/56/70/352055670.db2.gz MJQGTXSUSQMRCN-SECBINFHSA-N 0 3 225.282 3.416 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CNCCC2CC2)o1 ZINC000083893977 384921068 /nfs/dbraw/zinc/92/10/68/384921068.db2.gz WJSICUJYDMWFSE-MFKMUULPSA-N 0 3 219.328 3.293 20 0 BGADHN C[C@H]1C[C@@H]1c1ccc(CNCCC2CC2)o1 ZINC000083893978 384922181 /nfs/dbraw/zinc/92/21/81/384922181.db2.gz WJSICUJYDMWFSE-GWCFXTLKSA-N 0 3 219.328 3.293 20 0 BGADHN C[C@@H]1C[C@H]1c1ccc(CNCCC2CC2)o1 ZINC000083893979 384922202 /nfs/dbraw/zinc/92/22/02/384922202.db2.gz WJSICUJYDMWFSE-ZWNOBZJWSA-N 0 3 219.328 3.293 20 0 BGADHN C[C@H]1C[C@H]1c1ccc(CNCCC2CC2)o1 ZINC000083893980 384920942 /nfs/dbraw/zinc/92/09/42/384920942.db2.gz WJSICUJYDMWFSE-GXFFZTMASA-N 0 3 219.328 3.293 20 0 BGADHN Clc1ccc(CNCC(C2CC2)C2CC2)o1 ZINC000083894135 343683072 /nfs/dbraw/zinc/68/30/72/343683072.db2.gz AUEJPOLALJSCEZ-UHFFFAOYSA-N 0 3 239.746 3.459 20 0 BGADHN C[C@H](NCC(C1CC1)C1CC1)c1nccs1 ZINC000083894247 384812217 /nfs/dbraw/zinc/81/22/17/384812217.db2.gz LKKDJFXXOKXCPC-VIFPVBQESA-N 0 3 236.384 3.230 20 0 BGADHN C[C@@H](NCC(C1CC1)C1CC1)c1nccs1 ZINC000083894248 384539864 /nfs/dbraw/zinc/53/98/64/384539864.db2.gz LKKDJFXXOKXCPC-SECBINFHSA-N 0 3 236.384 3.230 20 0 BGADHN Fc1ccc(CNCCC2CC2)c(Cl)c1 ZINC000083894680 538112233 /nfs/dbraw/zinc/11/22/33/538112233.db2.gz CWEMRIDDMWUXLO-UHFFFAOYSA-N 0 3 227.710 3.369 20 0 BGADHN C[C@H](N)C(=O)Nc1cccc(C2CCCCC2)c1 ZINC000083910961 487962620 /nfs/dbraw/zinc/96/26/20/487962620.db2.gz HVOVDNUQRUJVOO-NSHDSACASA-N 0 3 246.354 3.020 20 0 BGADHN C[C@@H](N)C(=O)Nc1cccc(C2CCCCC2)c1 ZINC000083910963 487962955 /nfs/dbraw/zinc/96/29/55/487962955.db2.gz HVOVDNUQRUJVOO-LLVKDONJSA-N 0 3 246.354 3.020 20 0 BGADHN c1ccc2c(c1)nccc2NCCC1CC1 ZINC000083910990 384929489 /nfs/dbraw/zinc/92/94/89/384929489.db2.gz JDBOTIDSHODSJU-UHFFFAOYSA-N 0 3 212.296 3.447 20 0 BGADHN CCCC[C@@H](CC)CNCc1ccc(CO)o1 ZINC000083924137 344185391 /nfs/dbraw/zinc/18/53/91/344185391.db2.gz YLLXDEXHMDSRFQ-GFCCVEGCSA-N 0 3 239.359 3.078 20 0 BGADHN CCCC[C@H](CC)CNCc1ccc(CO)o1 ZINC000083924139 344185235 /nfs/dbraw/zinc/18/52/35/344185235.db2.gz YLLXDEXHMDSRFQ-LBPRGKRZSA-N 0 3 239.359 3.078 20 0 BGADHN CC(C)CCC[C@@H](C)NCc1ccc(CO)o1 ZINC000083924207 384819337 /nfs/dbraw/zinc/81/93/37/384819337.db2.gz KBJSODVTUQKHJS-GFCCVEGCSA-N 0 3 239.359 3.076 20 0 BGADHN CC(C)CCC[C@H](C)NCc1ccc(CO)o1 ZINC000083924209 166825064 /nfs/dbraw/zinc/82/50/64/166825064.db2.gz KBJSODVTUQKHJS-LBPRGKRZSA-N 0 3 239.359 3.076 20 0 BGADHN CCCCCC[C@@H](C)NCc1ccc(CO)o1 ZINC000083924516 384817425 /nfs/dbraw/zinc/81/74/25/384817425.db2.gz SEPOAVQVNISDBV-GFCCVEGCSA-N 0 3 239.359 3.220 20 0 BGADHN CCCCCC[C@H](C)NCc1ccc(CO)o1 ZINC000083924517 384819162 /nfs/dbraw/zinc/81/91/62/384819162.db2.gz SEPOAVQVNISDBV-LBPRGKRZSA-N 0 3 239.359 3.220 20 0 BGADHN C[C@@H]1CCCCC[C@@H]1NCc1cscn1 ZINC000083948270 343687337 /nfs/dbraw/zinc/68/73/37/343687337.db2.gz ZPYQEKVZTNZRTH-PWSUYJOCSA-N 0 3 224.373 3.202 20 0 BGADHN C[C@H]1CCCCC[C@@H]1NCc1cscn1 ZINC000083948271 343687359 /nfs/dbraw/zinc/68/73/59/343687359.db2.gz ZPYQEKVZTNZRTH-JQWIXIFHSA-N 0 3 224.373 3.202 20 0 BGADHN C[C@@H]1CCCCC[C@H]1NCc1cscn1 ZINC000083948273 343687348 /nfs/dbraw/zinc/68/73/48/343687348.db2.gz ZPYQEKVZTNZRTH-ZYHUDNBSSA-N 0 3 224.373 3.202 20 0 BGADHN C[C@H]1CCCCC[C@H]1NCc1cscn1 ZINC000083948275 343687270 /nfs/dbraw/zinc/68/72/70/343687270.db2.gz ZPYQEKVZTNZRTH-CMPLNLGQSA-N 0 3 224.373 3.202 20 0 BGADHN C[C@@H]1CCCCC[C@@H]1NCc1nccs1 ZINC000083948885 343688894 /nfs/dbraw/zinc/68/88/94/343688894.db2.gz WSGKUXWHXXREBS-MNOVXSKESA-N 0 3 224.373 3.202 20 0 BGADHN C[C@H]1CCCCC[C@@H]1NCc1nccs1 ZINC000083948886 343688925 /nfs/dbraw/zinc/68/89/25/343688925.db2.gz WSGKUXWHXXREBS-QWRGUYRKSA-N 0 3 224.373 3.202 20 0 BGADHN C[C@@H]1CCCCC[C@H]1NCc1nccs1 ZINC000083948887 343689114 /nfs/dbraw/zinc/68/91/14/343689114.db2.gz WSGKUXWHXXREBS-GHMZBOCLSA-N 0 3 224.373 3.202 20 0 BGADHN C[C@H]1CCCCC[C@H]1NCc1nccs1 ZINC000083948888 343688999 /nfs/dbraw/zinc/68/89/99/343688999.db2.gz WSGKUXWHXXREBS-WDEREUQCSA-N 0 3 224.373 3.202 20 0 BGADHN CCC1(CNCc2cn3ccccc3n2)CCC1 ZINC000084056709 384832236 /nfs/dbraw/zinc/83/22/36/384832236.db2.gz NMNPJTMZWZGSSQ-UHFFFAOYSA-N 0 3 243.354 3.004 20 0 BGADHN CCc1ccc(CN[C@H]2CC=CCC2)o1 ZINC000084066290 384361100 /nfs/dbraw/zinc/36/11/00/384361100.db2.gz MCFMZXIGWBDMCA-NSHDSACASA-N 0 3 205.301 3.040 20 0 BGADHN CCc1ccc(CN[C@@H]2CC=CCC2)o1 ZINC000084066291 384362354 /nfs/dbraw/zinc/36/23/54/384362354.db2.gz MCFMZXIGWBDMCA-LLVKDONJSA-N 0 3 205.301 3.040 20 0 BGADHN Cc1ccc([C@@H](C)N[C@H]2CC=CCC2)o1 ZINC000084066416 384361263 /nfs/dbraw/zinc/36/12/63/384361263.db2.gz DMRCLEPADJXXMJ-NEPJUHHUSA-N 0 3 205.301 3.347 20 0 BGADHN Cc1ccc([C@H](C)N[C@H]2CC=CCC2)o1 ZINC000084066417 384362294 /nfs/dbraw/zinc/36/22/94/384362294.db2.gz DMRCLEPADJXXMJ-RYUDHWBXSA-N 0 3 205.301 3.347 20 0 BGADHN Cc1ccc([C@@H](C)N[C@@H]2CC=CCC2)o1 ZINC000084066418 384361673 /nfs/dbraw/zinc/36/16/73/384361673.db2.gz DMRCLEPADJXXMJ-VXGBXAGGSA-N 0 3 205.301 3.347 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H]2CC=CCC2)o1 ZINC000084066419 384362055 /nfs/dbraw/zinc/36/20/55/384362055.db2.gz DMRCLEPADJXXMJ-NWDGAFQWSA-N 0 3 205.301 3.347 20 0 BGADHN Cc1nc([C@@H](C)N[C@H]2CC=CCC2)cs1 ZINC000084066569 180038205 /nfs/dbraw/zinc/03/82/05/180038205.db2.gz FKYJXRQRCWIUPJ-KOLCDFICSA-N 0 3 222.357 3.211 20 0 BGADHN Cc1nc([C@H](C)N[C@H]2CC=CCC2)cs1 ZINC000084066571 180050686 /nfs/dbraw/zinc/05/06/86/180050686.db2.gz FKYJXRQRCWIUPJ-ONGXEEELSA-N 0 3 222.357 3.211 20 0 BGADHN Cc1nc([C@@H](C)N[C@@H]2CC=CCC2)cs1 ZINC000084066572 180038272 /nfs/dbraw/zinc/03/82/72/180038272.db2.gz FKYJXRQRCWIUPJ-MWLCHTKSSA-N 0 3 222.357 3.211 20 0 BGADHN Cc1nc([C@H](C)N[C@@H]2CC=CCC2)cs1 ZINC000084066573 180051498 /nfs/dbraw/zinc/05/14/98/180051498.db2.gz FKYJXRQRCWIUPJ-GXSJLCMTSA-N 0 3 222.357 3.211 20 0 BGADHN CC[C@@H](C)CN(C)Cc1cn2cc(C)ccc2n1 ZINC000084075707 388652786 /nfs/dbraw/zinc/65/27/86/388652786.db2.gz NAVXFIGQUALRKG-GFCCVEGCSA-N 0 3 245.370 3.121 20 0 BGADHN CC[C@H](C)CN(C)Cc1cn2cc(C)ccc2n1 ZINC000084075709 388652401 /nfs/dbraw/zinc/65/24/01/388652401.db2.gz NAVXFIGQUALRKG-LBPRGKRZSA-N 0 3 245.370 3.121 20 0 BGADHN CCC(C)(C)NCc1ccncc1Cl ZINC000084084707 343722199 /nfs/dbraw/zinc/72/21/99/343722199.db2.gz VPVNOAMLZSSFBF-UHFFFAOYSA-N 0 3 212.724 3.013 20 0 BGADHN CCC(CC)NCc1ccncc1Cl ZINC000084084709 541359052 /nfs/dbraw/zinc/35/90/52/541359052.db2.gz IQYKPVCJJFNPRZ-UHFFFAOYSA-N 0 3 212.724 3.013 20 0 BGADHN CCC[C@@H](C)NCc1ccncc1Cl ZINC000084084713 487997993 /nfs/dbraw/zinc/99/79/93/487997993.db2.gz PHBWBCZJLQWHMB-SECBINFHSA-N 0 3 212.724 3.013 20 0 BGADHN CCC[C@H](C)NCc1ccncc1Cl ZINC000084084715 487997820 /nfs/dbraw/zinc/99/78/20/487997820.db2.gz PHBWBCZJLQWHMB-VIFPVBQESA-N 0 3 212.724 3.013 20 0 BGADHN C[C@@H]1CCC[C@H](NCc2ccncc2Cl)C1 ZINC000084084743 388653008 /nfs/dbraw/zinc/65/30/08/388653008.db2.gz IQQFLPJOODDDLH-PWSUYJOCSA-N 0 3 238.762 3.403 20 0 BGADHN C[C@H]1CCC[C@H](NCc2ccncc2Cl)C1 ZINC000084084745 388652429 /nfs/dbraw/zinc/65/24/29/388652429.db2.gz IQQFLPJOODDDLH-JQWIXIFHSA-N 0 3 238.762 3.403 20 0 BGADHN C[C@@H]1CCC[C@@H](NCc2ccncc2Cl)C1 ZINC000084084746 388652302 /nfs/dbraw/zinc/65/23/02/388652302.db2.gz IQQFLPJOODDDLH-ZYHUDNBSSA-N 0 3 238.762 3.403 20 0 BGADHN C[C@H]1CCC[C@@H](NCc2ccncc2Cl)C1 ZINC000084084748 322960450 /nfs/dbraw/zinc/96/04/50/322960450.db2.gz IQQFLPJOODDDLH-CMPLNLGQSA-N 0 3 238.762 3.403 20 0 BGADHN Clc1cnccc1CNCC1CCCC1 ZINC000084084750 322911121 /nfs/dbraw/zinc/91/11/21/322911121.db2.gz UANDLEWNSUGXLT-UHFFFAOYSA-N 0 3 224.735 3.015 20 0 BGADHN Clc1cnccc1CNCC1CCCCC1 ZINC000084084752 325579627 /nfs/dbraw/zinc/57/96/27/325579627.db2.gz WPBLXCAMQHXCMC-UHFFFAOYSA-N 0 3 238.762 3.405 20 0 BGADHN CC(C)C[C@@H](C)NCc1ccncc1Cl ZINC000084084755 384365631 /nfs/dbraw/zinc/36/56/31/384365631.db2.gz NNVNGOAHSMYPCX-SNVBAGLBSA-N 0 3 226.751 3.259 20 0 BGADHN CC(C)C[C@H](C)NCc1ccncc1Cl ZINC000084084756 322911294 /nfs/dbraw/zinc/91/12/94/322911294.db2.gz NNVNGOAHSMYPCX-JTQLQIEISA-N 0 3 226.751 3.259 20 0 BGADHN Clc1cnccc1CNCCC1CCCC1 ZINC000084084810 325579449 /nfs/dbraw/zinc/57/94/49/325579449.db2.gz IMOGMZPRPANAMP-UHFFFAOYSA-N 0 3 238.762 3.405 20 0 BGADHN CC(C)CCCNCc1ccncc1Cl ZINC000084084833 487998005 /nfs/dbraw/zinc/99/80/05/487998005.db2.gz QOLFEDBTNDCREW-UHFFFAOYSA-N 0 3 226.751 3.261 20 0 BGADHN CC1(NCc2ccncc2Cl)CCCC1 ZINC000084084856 322911557 /nfs/dbraw/zinc/91/15/57/322911557.db2.gz CCAJTMHNHHUHRX-UHFFFAOYSA-N 0 3 224.735 3.157 20 0 BGADHN CC[C@@H](C)[C@@H](C)NCc1ccncc1Cl ZINC000084084864 384365099 /nfs/dbraw/zinc/36/50/99/384365099.db2.gz FGDLFCXHBRUAON-NXEZZACHSA-N 0 3 226.751 3.259 20 0 BGADHN CC[C@H](C)[C@@H](C)NCc1ccncc1Cl ZINC000084084866 384364122 /nfs/dbraw/zinc/36/41/22/384364122.db2.gz FGDLFCXHBRUAON-VHSXEESVSA-N 0 3 226.751 3.259 20 0 BGADHN CC[C@@H](C)[C@H](C)NCc1ccncc1Cl ZINC000084084870 384364020 /nfs/dbraw/zinc/36/40/20/384364020.db2.gz FGDLFCXHBRUAON-ZJUUUORDSA-N 0 3 226.751 3.259 20 0 BGADHN CC[C@H](C)[C@H](C)NCc1ccncc1Cl ZINC000084084871 384364740 /nfs/dbraw/zinc/36/47/40/384364740.db2.gz FGDLFCXHBRUAON-UWVGGRQHSA-N 0 3 226.751 3.259 20 0 BGADHN Clc1cnccc1CNC(C1CC1)C1CC1 ZINC000084084896 541358140 /nfs/dbraw/zinc/35/81/40/541358140.db2.gz ANZUEDDOPDEFEY-UHFFFAOYSA-N 0 3 236.746 3.013 20 0 BGADHN Clc1cnccc1CNC[C@H]1CC=CCC1 ZINC000084084935 388652530 /nfs/dbraw/zinc/65/25/30/388652530.db2.gz WMMMSISWCSEVRJ-NSHDSACASA-N 0 3 236.746 3.181 20 0 BGADHN Clc1cnccc1CNC[C@@H]1CC=CCC1 ZINC000084084937 388652228 /nfs/dbraw/zinc/65/22/28/388652228.db2.gz WMMMSISWCSEVRJ-LLVKDONJSA-N 0 3 236.746 3.181 20 0 BGADHN CCC[C@@H](CC)NCc1ccncc1Cl ZINC000084084958 388652681 /nfs/dbraw/zinc/65/26/81/388652681.db2.gz VAPMPJXQURLVQJ-LLVKDONJSA-N 0 3 226.751 3.403 20 0 BGADHN CCC[C@H](CC)NCc1ccncc1Cl ZINC000084084960 325579382 /nfs/dbraw/zinc/57/93/82/325579382.db2.gz VAPMPJXQURLVQJ-NSHDSACASA-N 0 3 226.751 3.403 20 0 BGADHN C[C@@H]1CCC[C@@H]1NCc1ccncc1Cl ZINC000084085012 384364115 /nfs/dbraw/zinc/36/41/15/384364115.db2.gz UGWOXWPFCNSIIM-SKDRFNHKSA-N 0 3 224.735 3.013 20 0 BGADHN C[C@H]1CCC[C@@H]1NCc1ccncc1Cl ZINC000084085015 384365908 /nfs/dbraw/zinc/36/59/08/384365908.db2.gz UGWOXWPFCNSIIM-CABZTGNLSA-N 0 3 224.735 3.013 20 0 BGADHN C[C@@H]1CCC[C@H]1NCc1ccncc1Cl ZINC000084085016 384365708 /nfs/dbraw/zinc/36/57/08/384365708.db2.gz UGWOXWPFCNSIIM-BXKDBHETSA-N 0 3 224.735 3.013 20 0 BGADHN C[C@H]1CCC[C@H]1NCc1ccncc1Cl ZINC000084085018 384364996 /nfs/dbraw/zinc/36/49/96/384364996.db2.gz UGWOXWPFCNSIIM-JOYOIKCWSA-N 0 3 224.735 3.013 20 0 BGADHN CC1(CNCc2ccncc2Cl)CCCC1 ZINC000084085036 384569853 /nfs/dbraw/zinc/56/98/53/384569853.db2.gz ZDKHWIBHXJCRCL-UHFFFAOYSA-N 0 3 238.762 3.405 20 0 BGADHN C[C@H](NCc1ccncc1Cl)C1CCCC1 ZINC000084085065 384835355 /nfs/dbraw/zinc/83/53/55/384835355.db2.gz ZQFZQYVOUOJPFG-JTQLQIEISA-N 0 3 238.762 3.403 20 0 BGADHN C[C@@H](NCc1ccncc1Cl)C1CCCC1 ZINC000084085066 388069861 /nfs/dbraw/zinc/06/98/61/388069861.db2.gz ZQFZQYVOUOJPFG-SNVBAGLBSA-N 0 3 238.762 3.403 20 0 BGADHN CC(C)[C@@H](C)CNCc1ccncc1Cl ZINC000084085104 388653166 /nfs/dbraw/zinc/65/31/66/388653166.db2.gz IEOHSXMSHVUXQF-JTQLQIEISA-N 0 3 226.751 3.117 20 0 BGADHN CC(C)[C@H](C)CNCc1ccncc1Cl ZINC000084085106 388652342 /nfs/dbraw/zinc/65/23/42/388652342.db2.gz IEOHSXMSHVUXQF-SNVBAGLBSA-N 0 3 226.751 3.117 20 0 BGADHN Cc1ccsc1CNCc1ccc(O)cc1 ZINC000084148552 388071785 /nfs/dbraw/zinc/07/17/85/388071785.db2.gz SXPGIZRKJYZDGA-UHFFFAOYSA-N 0 3 233.336 3.052 20 0 BGADHN CCc1ccccc1CNCc1ccc(O)cc1 ZINC000084199976 538113628 /nfs/dbraw/zinc/11/36/28/538113628.db2.gz SNQFHIZEUQHKHT-UHFFFAOYSA-N 0 3 241.334 3.244 20 0 BGADHN CCc1ccccc1CNCc1cccc(O)c1 ZINC000084200017 384847539 /nfs/dbraw/zinc/84/75/39/384847539.db2.gz LRYANZVUWKXTFH-UHFFFAOYSA-N 0 3 241.334 3.244 20 0 BGADHN CC(C)n1ccc(CNC2CCCCCC2)n1 ZINC000084225447 368851822 /nfs/dbraw/zinc/85/18/22/368851822.db2.gz BDSLUCINKWSDTL-UHFFFAOYSA-N 0 3 235.375 3.276 20 0 BGADHN CCCCCCNCc1c(Cl)c(C)nn1C ZINC000084270808 643655679 /nfs/dbraw/zinc/65/56/79/643655679.db2.gz VWEJIPYGAQGSMV-UHFFFAOYSA-N 0 3 243.782 3.052 20 0 BGADHN c1csc(CNCC2CCCCCC2)n1 ZINC000084329182 135211283 /nfs/dbraw/zinc/21/12/83/135211283.db2.gz IHDUBJJEYIUIAG-UHFFFAOYSA-N 0 3 224.373 3.203 20 0 BGADHN Cc1cc(CNCC2CCCCCC2)no1 ZINC000084329252 135211755 /nfs/dbraw/zinc/21/17/55/135211755.db2.gz XXPYKJWEPQTJTD-UHFFFAOYSA-N 0 3 222.332 3.043 20 0 BGADHN Cc1cc(CNCC2CCCCCC2)on1 ZINC000084329264 541360188 /nfs/dbraw/zinc/36/01/88/541360188.db2.gz UDGTZCHWXGJWTL-UHFFFAOYSA-N 0 3 222.332 3.043 20 0 BGADHN c1nc(CNCC2CCCCCC2)cs1 ZINC000084329413 135211703 /nfs/dbraw/zinc/21/17/03/135211703.db2.gz DQWNJMOSSQWRQX-UHFFFAOYSA-N 0 3 224.373 3.203 20 0 BGADHN CC[C@H](NC1CC1)c1cc(F)ccc1F ZINC000084391821 384391783 /nfs/dbraw/zinc/39/17/83/384391783.db2.gz OJDNCGXVUDIIDQ-LBPRGKRZSA-N 0 3 211.255 3.168 20 0 BGADHN CC[C@@H](NC1CC1)c1cc(F)ccc1F ZINC000084391822 170889654 /nfs/dbraw/zinc/88/96/54/170889654.db2.gz OJDNCGXVUDIIDQ-GFCCVEGCSA-N 0 3 211.255 3.168 20 0 BGADHN CC[C@H](NC1CC1)c1ccc(F)cc1F ZINC000084391824 384391646 /nfs/dbraw/zinc/39/16/46/384391646.db2.gz ULDNZICOCNIHSJ-LBPRGKRZSA-N 0 3 211.255 3.168 20 0 BGADHN CC[C@@H](NC1CC1)c1ccc(F)cc1F ZINC000084391827 384391578 /nfs/dbraw/zinc/39/15/78/384391578.db2.gz ULDNZICOCNIHSJ-GFCCVEGCSA-N 0 3 211.255 3.168 20 0 BGADHN C[C@H](NC1CC1)c1ccc(Cl)c(F)c1 ZINC000084394604 322960664 /nfs/dbraw/zinc/96/06/64/322960664.db2.gz FFDXFMPTYVQLTH-ZETCQYMHSA-N 0 3 213.683 3.292 20 0 BGADHN C[C@@H](NC1CC1)c1ccc(Cl)c(F)c1 ZINC000084394605 388656152 /nfs/dbraw/zinc/65/61/52/388656152.db2.gz FFDXFMPTYVQLTH-SSDOTTSWSA-N 0 3 213.683 3.292 20 0 BGADHN CC[C@H](NC1CC1)c1cc(C)ccc1OC ZINC000084401088 384865467 /nfs/dbraw/zinc/86/54/67/384865467.db2.gz RDRPTJJKMFRIAV-ZDUSSCGKSA-N 0 3 219.328 3.207 20 0 BGADHN CC[C@@H](NC1CC1)c1cc(C)ccc1OC ZINC000084401090 384867016 /nfs/dbraw/zinc/86/70/16/384867016.db2.gz RDRPTJJKMFRIAV-CYBMUJFWSA-N 0 3 219.328 3.207 20 0 BGADHN COc1ccc(Cl)cc1[C@H](C)NC1CC1 ZINC000084423624 175122658 /nfs/dbraw/zinc/12/26/58/175122658.db2.gz MAJNTCFMSPHEDX-QMMMGPOBSA-N 0 3 225.719 3.162 20 0 BGADHN COc1ccc(Cl)cc1[C@@H](C)NC1CC1 ZINC000084423625 175122089 /nfs/dbraw/zinc/12/20/89/175122089.db2.gz MAJNTCFMSPHEDX-MRVPVSSYSA-N 0 3 225.719 3.162 20 0 BGADHN COc1ncccc1CNC1C[C@@H](C)C[C@H](C)C1 ZINC000084468497 135472579 /nfs/dbraw/zinc/47/25/79/135472579.db2.gz BKNVIAKKBUHEDG-RYUDHWBXSA-N 0 3 248.370 3.005 20 0 BGADHN COc1ncccc1CNC1C[C@H](C)C[C@@H](C)C1 ZINC000084468498 388077814 /nfs/dbraw/zinc/07/78/14/388077814.db2.gz BKNVIAKKBUHEDG-VXGBXAGGSA-N 0 3 248.370 3.005 20 0 BGADHN Fc1ccc(CN(CC2CC2)C2CC2)c(F)c1 ZINC000084862202 388081599 /nfs/dbraw/zinc/08/15/99/388081599.db2.gz KKULATSYGZALOX-UHFFFAOYSA-N 0 3 237.293 3.339 20 0 BGADHN CC1(C)CCCN1Cc1ccc(F)cc1F ZINC000084862219 388081352 /nfs/dbraw/zinc/08/13/52/388081352.db2.gz AXVQZIYGQRKGRM-UHFFFAOYSA-N 0 3 225.282 3.339 20 0 BGADHN CCN(Cc1ccc(F)cc1F)CC1CC1 ZINC000084862913 388081287 /nfs/dbraw/zinc/08/12/87/388081287.db2.gz JDDNPLJZQAACLW-UHFFFAOYSA-N 0 3 225.282 3.197 20 0 BGADHN C[C@@H]1C[C@H](C)N(Cc2ccc(F)cc2F)C1 ZINC000084863729 345527405 /nfs/dbraw/zinc/52/74/05/345527405.db2.gz WRXRUEOBZZCKMH-ZJUUUORDSA-N 0 3 225.282 3.195 20 0 BGADHN C[C@H]1C[C@H](C)N(Cc2ccc(F)cc2F)C1 ZINC000084863731 345527466 /nfs/dbraw/zinc/52/74/66/345527466.db2.gz WRXRUEOBZZCKMH-UWVGGRQHSA-N 0 3 225.282 3.195 20 0 BGADHN C[C@@H]1C[C@@H](C)N(Cc2ccc(F)cc2F)C1 ZINC000084863733 345527480 /nfs/dbraw/zinc/52/74/80/345527480.db2.gz WRXRUEOBZZCKMH-NXEZZACHSA-N 0 3 225.282 3.195 20 0 BGADHN C[C@@H]1C[C@H](C)CN1Cc1ccc(F)cc1F ZINC000084863735 345527320 /nfs/dbraw/zinc/52/73/20/345527320.db2.gz WRXRUEOBZZCKMH-VHSXEESVSA-N 0 3 225.282 3.195 20 0 BGADHN CCCC[C@@H](CCC)CNCc1ncc[nH]1 ZINC000084960862 384908099 /nfs/dbraw/zinc/90/80/99/384908099.db2.gz KJZTWFJUPOWKTA-GFCCVEGCSA-N 0 3 223.364 3.106 20 0 BGADHN CCCC[C@H](CCC)CNCc1ncc[nH]1 ZINC000084960864 384908058 /nfs/dbraw/zinc/90/80/58/384908058.db2.gz KJZTWFJUPOWKTA-LBPRGKRZSA-N 0 3 223.364 3.106 20 0 BGADHN COc1ccccc1CN[C@@H](C)Cc1ccoc1 ZINC000084961540 345530500 /nfs/dbraw/zinc/53/05/00/345530500.db2.gz QGOFVHFQQNCNOA-LBPRGKRZSA-N 0 3 245.322 3.009 20 0 BGADHN COc1ccccc1CN[C@H](C)Cc1ccoc1 ZINC000084961542 345530568 /nfs/dbraw/zinc/53/05/68/345530568.db2.gz QGOFVHFQQNCNOA-GFCCVEGCSA-N 0 3 245.322 3.009 20 0 BGADHN C[C@@H](Cc1ccoc1)NCc1ccccc1F ZINC000084961624 345530539 /nfs/dbraw/zinc/53/05/39/345530539.db2.gz VBANMBXBNCQNML-NSHDSACASA-N 0 3 233.286 3.140 20 0 BGADHN C[C@H](Cc1ccoc1)NCc1ccccc1F ZINC000084961626 345530296 /nfs/dbraw/zinc/53/02/96/345530296.db2.gz VBANMBXBNCQNML-LLVKDONJSA-N 0 3 233.286 3.140 20 0 BGADHN Cc1noc(C)c1CNC1C[C@@H](C)C[C@H](C)C1 ZINC000084973858 388081983 /nfs/dbraw/zinc/08/19/83/388081983.db2.gz VFEFFXBDIVWJTH-UWVGGRQHSA-N 0 3 236.359 3.206 20 0 BGADHN Cc1noc(C)c1CNC1C[C@H](C)C[C@@H](C)C1 ZINC000084973860 388082378 /nfs/dbraw/zinc/08/23/78/388082378.db2.gz VFEFFXBDIVWJTH-NXEZZACHSA-N 0 3 236.359 3.206 20 0 BGADHN COc1ncccc1CN[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000084986770 388082331 /nfs/dbraw/zinc/08/23/31/388082331.db2.gz HRVRXVXUAKUREP-MBNYWOFBSA-N 0 3 248.370 3.005 20 0 BGADHN COc1ncccc1CN[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000084986771 388082028 /nfs/dbraw/zinc/08/20/28/388082028.db2.gz HRVRXVXUAKUREP-SGMGOOAPSA-N 0 3 248.370 3.005 20 0 BGADHN Cc1noc(C)c1CN[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000085041696 388082624 /nfs/dbraw/zinc/08/26/24/388082624.db2.gz NMLRILCOOVYFMW-OPQQBVKSSA-N 0 3 236.359 3.206 20 0 BGADHN Cc1noc(C)c1CN[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000085041701 388082660 /nfs/dbraw/zinc/08/26/60/388082660.db2.gz NMLRILCOOVYFMW-GIPNMCIBSA-N 0 3 236.359 3.206 20 0 BGADHN CC[C@@H]1CCC[C@H](N[C@@H](C)c2nccn2C)C1 ZINC000085063742 388083121 /nfs/dbraw/zinc/08/31/21/388083121.db2.gz IAQBHZUDHXLGSA-XQQFMLRXSA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@@H]1CCC[C@@H](N[C@@H](C)c2nccn2C)C1 ZINC000085063747 388083013 /nfs/dbraw/zinc/08/30/13/388083013.db2.gz IAQBHZUDHXLGSA-YNEHKIRRSA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@@H]1CCC[C@H](N[C@@H](C)c2cnccn2)C1 ZINC000085063752 344201796 /nfs/dbraw/zinc/20/17/96/344201796.db2.gz UYTYYXCJIZFMLX-XQQFMLRXSA-N 0 3 233.359 3.096 20 0 BGADHN CC[C@@H]1CCC[C@@H](N[C@@H](C)c2cnccn2)C1 ZINC000085063758 188143770 /nfs/dbraw/zinc/14/37/70/188143770.db2.gz UYTYYXCJIZFMLX-YNEHKIRRSA-N 0 3 233.359 3.096 20 0 BGADHN CC[C@@H]1CCC[C@H](NCc2c(C)noc2C)C1 ZINC000085064258 388083022 /nfs/dbraw/zinc/08/30/22/388083022.db2.gz HZMZUAZRGGVZGK-OLZOCXBDSA-N 0 3 236.359 3.350 20 0 BGADHN CC[C@H]1CCC[C@H](NCc2c(C)noc2C)C1 ZINC000085064262 388082772 /nfs/dbraw/zinc/08/27/72/388082772.db2.gz HZMZUAZRGGVZGK-STQMWFEESA-N 0 3 236.359 3.350 20 0 BGADHN CC[C@@H]1CCC[C@@H](NCc2c(C)noc2C)C1 ZINC000085064266 388082643 /nfs/dbraw/zinc/08/26/43/388082643.db2.gz HZMZUAZRGGVZGK-CHWSQXEVSA-N 0 3 236.359 3.350 20 0 BGADHN CC[C@H]1CCC[C@@H](NCc2c(C)noc2C)C1 ZINC000085064270 388083060 /nfs/dbraw/zinc/08/30/60/388083060.db2.gz HZMZUAZRGGVZGK-QWHCGFSZSA-N 0 3 236.359 3.350 20 0 BGADHN C[C@@H](CCO)CN[C@@H](C)c1ccccc1Cl ZINC000085127470 384920098 /nfs/dbraw/zinc/92/00/98/384920098.db2.gz GULBZDQDZABNTM-QWRGUYRKSA-N 0 3 241.762 3.009 20 0 BGADHN C[C@H](CCO)CN[C@@H](C)c1ccccc1Cl ZINC000085127473 384919484 /nfs/dbraw/zinc/91/94/84/384919484.db2.gz GULBZDQDZABNTM-MNOVXSKESA-N 0 3 241.762 3.009 20 0 BGADHN C[C@@H](NC[C@@H](C)CCO)c1ccccc1Cl ZINC000085127475 384919348 /nfs/dbraw/zinc/91/93/48/384919348.db2.gz GULBZDQDZABNTM-WDEREUQCSA-N 0 3 241.762 3.009 20 0 BGADHN C[C@H](CCO)CN[C@H](C)c1ccccc1Cl ZINC000085127478 384918117 /nfs/dbraw/zinc/91/81/17/384918117.db2.gz GULBZDQDZABNTM-GHMZBOCLSA-N 0 3 241.762 3.009 20 0 BGADHN CC(C)n1ccc(CNC2CCC(C)CC2)n1 ZINC000085160898 368863246 /nfs/dbraw/zinc/86/32/46/368863246.db2.gz STTQGIPCZSBXHL-UHFFFAOYSA-N 0 3 235.375 3.132 20 0 BGADHN CC(C)n1ccc(CN[C@H]2CCCC[C@H]2C)n1 ZINC000085160930 538115732 /nfs/dbraw/zinc/11/57/32/538115732.db2.gz DDDJIYNZRLRBOR-OCCSQVGLSA-N 0 3 235.375 3.132 20 0 BGADHN CC(C)n1ccc(CN[C@H]2CCCC[C@@H]2C)n1 ZINC000085160933 538115901 /nfs/dbraw/zinc/11/59/01/538115901.db2.gz DDDJIYNZRLRBOR-JSGCOSHPSA-N 0 3 235.375 3.132 20 0 BGADHN CC(C)n1ccc(CN[C@@H]2CCCC[C@H]2C)n1 ZINC000085160935 538115840 /nfs/dbraw/zinc/11/58/40/538115840.db2.gz DDDJIYNZRLRBOR-TZMCWYRMSA-N 0 3 235.375 3.132 20 0 BGADHN CC(C)n1ccc(CN[C@@H]2CCCC[C@@H]2C)n1 ZINC000085160936 538115800 /nfs/dbraw/zinc/11/58/00/538115800.db2.gz DDDJIYNZRLRBOR-GXTWGEPZSA-N 0 3 235.375 3.132 20 0 BGADHN CC(C)n1ccc(CN[C@H]2CCC[C@@H](C)[C@H]2C)n1 ZINC000085160964 368863543 /nfs/dbraw/zinc/86/35/43/368863543.db2.gz DOTFHTSOFHUQHY-NFAWXSAZSA-N 0 3 249.402 3.378 20 0 BGADHN CC(C)n1ccc(CN[C@@H]2CCC[C@@H](C)[C@H]2C)n1 ZINC000085160967 368863266 /nfs/dbraw/zinc/86/32/66/368863266.db2.gz DOTFHTSOFHUQHY-UMVBOHGHSA-N 0 3 249.402 3.378 20 0 BGADHN CC(C)n1ccc(CN[C@H]2CCC[C@@H](C)C2)n1 ZINC000085161020 538115815 /nfs/dbraw/zinc/11/58/15/538115815.db2.gz OBWCUIMFQTUOND-OLZOCXBDSA-N 0 3 235.375 3.132 20 0 BGADHN CC(C)n1ccc(CN[C@H]2CCC[C@H](C)C2)n1 ZINC000085161021 538115895 /nfs/dbraw/zinc/11/58/95/538115895.db2.gz OBWCUIMFQTUOND-STQMWFEESA-N 0 3 235.375 3.132 20 0 BGADHN CC(C)n1ccc(CN[C@@H]2CCC[C@@H](C)C2)n1 ZINC000085161022 538115820 /nfs/dbraw/zinc/11/58/20/538115820.db2.gz OBWCUIMFQTUOND-CHWSQXEVSA-N 0 3 235.375 3.132 20 0 BGADHN CC(C)n1ccc(CN[C@@H]2CCC[C@H](C)C2)n1 ZINC000085161024 538115805 /nfs/dbraw/zinc/11/58/05/538115805.db2.gz OBWCUIMFQTUOND-QWHCGFSZSA-N 0 3 235.375 3.132 20 0 BGADHN CC(C)n1ccc(CNCC2CCCCC2)n1 ZINC000085161025 368863388 /nfs/dbraw/zinc/86/33/88/368863388.db2.gz MUBHWGXPGCWXON-UHFFFAOYSA-N 0 3 235.375 3.134 20 0 BGADHN CC(C)n1ccc(CNC[C@H]2CCCC[C@H]2C)n1 ZINC000085161338 368862840 /nfs/dbraw/zinc/86/28/40/368862840.db2.gz CHTXLGLGMMIVJX-ZIAGYGMSSA-N 0 3 249.402 3.380 20 0 BGADHN CC(C)n1ccc(CNC[C@H]2CCCC[C@@H]2C)n1 ZINC000085161340 368862847 /nfs/dbraw/zinc/86/28/47/368862847.db2.gz CHTXLGLGMMIVJX-UONOGXRCSA-N 0 3 249.402 3.380 20 0 BGADHN CC(C)n1ccc(CNC[C@@H]2CCCC[C@H]2C)n1 ZINC000085161342 368863187 /nfs/dbraw/zinc/86/31/87/368863187.db2.gz CHTXLGLGMMIVJX-KGLIPLIRSA-N 0 3 249.402 3.380 20 0 BGADHN CC(C)n1ccc(CNC[C@@H]2CCCC[C@@H]2C)n1 ZINC000085161345 368862870 /nfs/dbraw/zinc/86/28/70/368862870.db2.gz CHTXLGLGMMIVJX-KBPBESRZSA-N 0 3 249.402 3.380 20 0 BGADHN CC(C)n1ccc(CNCC2(C)CCCC2)n1 ZINC000085161575 643689768 /nfs/dbraw/zinc/68/97/68/643689768.db2.gz OXOKHMZTGHZERB-UHFFFAOYSA-N 0 3 235.375 3.134 20 0 BGADHN CC(C)CC[C@@H](C)NCc1ccn(C(C)C)n1 ZINC000085161598 368862950 /nfs/dbraw/zinc/86/29/50/368862950.db2.gz RHPYDHCWRNDJAP-CYBMUJFWSA-N 0 3 237.391 3.378 20 0 BGADHN CC(C)CC[C@H](C)NCc1ccn(C(C)C)n1 ZINC000085161599 368862933 /nfs/dbraw/zinc/86/29/33/368862933.db2.gz RHPYDHCWRNDJAP-ZDUSSCGKSA-N 0 3 237.391 3.378 20 0 BGADHN CC(C)n1ccc(CN[C@H]2CC[C@@H](C)C[C@H]2C)n1 ZINC000085161605 368863013 /nfs/dbraw/zinc/86/30/13/368863013.db2.gz RIYSFAZEBISJAB-NFAWXSAZSA-N 0 3 249.402 3.378 20 0 BGADHN CC(C)n1ccc(CN[C@@H]2CC[C@@H](C)C[C@H]2C)n1 ZINC000085161609 368863590 /nfs/dbraw/zinc/86/35/90/368863590.db2.gz RIYSFAZEBISJAB-UMVBOHGHSA-N 0 3 249.402 3.378 20 0 BGADHN CC(C)n1ccc(CN[C@@H](C)C2CCCC2)n1 ZINC000085161612 388084735 /nfs/dbraw/zinc/08/47/35/388084735.db2.gz ZDPFNPIYQLWRNB-LBPRGKRZSA-N 0 3 235.375 3.132 20 0 BGADHN CC(C)n1ccc(CN[C@H](C)C2CCCC2)n1 ZINC000085161614 388084499 /nfs/dbraw/zinc/08/44/99/388084499.db2.gz ZDPFNPIYQLWRNB-GFCCVEGCSA-N 0 3 235.375 3.132 20 0 BGADHN CC(C)n1ccc(CNC2C[C@@H](C)C[C@H](C)C2)n1 ZINC000085161672 368863257 /nfs/dbraw/zinc/86/32/57/368863257.db2.gz BIFFJQNQEQLWSM-STQMWFEESA-N 0 3 249.402 3.378 20 0 BGADHN CC(C)n1ccc(CNC2C[C@H](C)C[C@@H](C)C2)n1 ZINC000085161676 368863236 /nfs/dbraw/zinc/86/32/36/368863236.db2.gz BIFFJQNQEQLWSM-CHWSQXEVSA-N 0 3 249.402 3.378 20 0 BGADHN CC(C)n1ccc(CN[C@H]2CC[C@@H](C)[C@@H](C)C2)n1 ZINC000085161678 368863561 /nfs/dbraw/zinc/86/35/61/368863561.db2.gz RQBZFLSWNQQVQO-RDBSUJKOSA-N 0 3 249.402 3.378 20 0 BGADHN CC(C)n1ccc(CN[C@@H]2CC[C@@H](C)[C@@H](C)C2)n1 ZINC000085161681 368862789 /nfs/dbraw/zinc/86/27/89/368862789.db2.gz RQBZFLSWNQQVQO-HZSPNIEDSA-N 0 3 249.402 3.378 20 0 BGADHN c1cn(C2CCCC2)nc1CNC1CCCCC1 ZINC000085172352 388084822 /nfs/dbraw/zinc/08/48/22/388084822.db2.gz XZYLVPSIQBTWKJ-UHFFFAOYSA-N 0 3 247.386 3.421 20 0 BGADHN c1cn(C2CCCC2)nc1CNC1CCCC1 ZINC000085172380 388084275 /nfs/dbraw/zinc/08/42/75/388084275.db2.gz JIQIUJBENDCIAB-UHFFFAOYSA-N 0 3 233.359 3.030 20 0 BGADHN CCC(CC)NCc1ccn(C2CCCC2)n1 ZINC000085172386 388084291 /nfs/dbraw/zinc/08/42/91/388084291.db2.gz VSUSOGZGHRWGNC-UHFFFAOYSA-N 0 3 235.375 3.276 20 0 BGADHN CCC[C@@H](C)NCc1ccn(C2CCCC2)n1 ZINC000085172447 388084833 /nfs/dbraw/zinc/08/48/33/388084833.db2.gz TVUCOFNILFXJCL-GFCCVEGCSA-N 0 3 235.375 3.276 20 0 BGADHN CCC[C@H](C)NCc1ccn(C2CCCC2)n1 ZINC000085172449 388084269 /nfs/dbraw/zinc/08/42/69/388084269.db2.gz TVUCOFNILFXJCL-LBPRGKRZSA-N 0 3 235.375 3.276 20 0 BGADHN CC(C)[C@@H](C)NCc1ccn(C2CCCC2)n1 ZINC000085172895 388084707 /nfs/dbraw/zinc/08/47/07/388084707.db2.gz LHDBTHYVYZRKMR-GFCCVEGCSA-N 0 3 235.375 3.132 20 0 BGADHN CC(C)[C@H](C)NCc1ccn(C2CCCC2)n1 ZINC000085172898 388084520 /nfs/dbraw/zinc/08/45/20/388084520.db2.gz LHDBTHYVYZRKMR-LBPRGKRZSA-N 0 3 235.375 3.132 20 0 BGADHN CC(C)(C)CNCc1ccn(C2CCCC2)n1 ZINC000085173494 388084375 /nfs/dbraw/zinc/08/43/75/388084375.db2.gz MVHJPJBKGRDPAT-UHFFFAOYSA-N 0 3 235.375 3.134 20 0 BGADHN CC[C@@H](C)CNCc1ccn(C2CCCC2)n1 ZINC000085174372 388084612 /nfs/dbraw/zinc/08/46/12/388084612.db2.gz PLDWLUAKXXSGQW-GFCCVEGCSA-N 0 3 235.375 3.134 20 0 BGADHN CC[C@H](C)CNCc1ccn(C2CCCC2)n1 ZINC000085174374 536129774 /nfs/dbraw/zinc/12/97/74/536129774.db2.gz PLDWLUAKXXSGQW-LBPRGKRZSA-N 0 3 235.375 3.134 20 0 BGADHN C[C@@H]1CCC[C@@H]1NCc1ccn(C2CCCC2)n1 ZINC000085174453 388084766 /nfs/dbraw/zinc/08/47/66/388084766.db2.gz KJNLJSLURIXPPB-DOMZBBRYSA-N 0 3 247.386 3.276 20 0 BGADHN C[C@H]1CCC[C@@H]1NCc1ccn(C2CCCC2)n1 ZINC000085174455 388084340 /nfs/dbraw/zinc/08/43/40/388084340.db2.gz KJNLJSLURIXPPB-WFASDCNBSA-N 0 3 247.386 3.276 20 0 BGADHN C[C@@H]1CCC[C@H]1NCc1ccn(C2CCCC2)n1 ZINC000085174458 388084488 /nfs/dbraw/zinc/08/44/88/388084488.db2.gz KJNLJSLURIXPPB-IUODEOHRSA-N 0 3 247.386 3.276 20 0 BGADHN C[C@H]1CCC[C@H]1NCc1ccn(C2CCCC2)n1 ZINC000085174460 388084333 /nfs/dbraw/zinc/08/43/33/388084333.db2.gz KJNLJSLURIXPPB-SWLSCSKDSA-N 0 3 247.386 3.276 20 0 BGADHN C[C@@H](CC1CC1)NCc1ccn(C2CCCC2)n1 ZINC000085174645 135480791 /nfs/dbraw/zinc/48/07/91/135480791.db2.gz DYDBHVFSRCOLFB-LBPRGKRZSA-N 0 3 247.386 3.276 20 0 BGADHN C[C@H](CC1CC1)NCc1ccn(C2CCCC2)n1 ZINC000085174647 388084817 /nfs/dbraw/zinc/08/48/17/388084817.db2.gz DYDBHVFSRCOLFB-GFCCVEGCSA-N 0 3 247.386 3.276 20 0 BGADHN CC(C)(NC[C@@H]1C[C@@H]2C=C[C@H]1C2)c1nccs1 ZINC000085325230 191008850 /nfs/dbraw/zinc/00/88/50/191008850.db2.gz ARRRIOWSUSILKR-WOPDTQHZSA-N 0 3 248.395 3.180 20 0 BGADHN CC(C)(NC[C@H]1C[C@@H]2C=C[C@H]1C2)c1nccs1 ZINC000085325232 191008787 /nfs/dbraw/zinc/00/87/87/191008787.db2.gz ARRRIOWSUSILKR-GRYCIOLGSA-N 0 3 248.395 3.180 20 0 BGADHN CC[C@@H](C)C[C@@H](C)NCc1nc(C)cs1 ZINC000085446765 384523674 /nfs/dbraw/zinc/52/36/74/384523674.db2.gz IHKBYBBFYXOYRD-NXEZZACHSA-N 0 3 226.389 3.366 20 0 BGADHN CC[C@H](C)C[C@@H](C)NCc1nc(C)cs1 ZINC000085446769 171295252 /nfs/dbraw/zinc/29/52/52/171295252.db2.gz IHKBYBBFYXOYRD-VHSXEESVSA-N 0 3 226.389 3.366 20 0 BGADHN CC[C@@H](C)C[C@H](C)NCc1nc(C)cs1 ZINC000085446771 384524064 /nfs/dbraw/zinc/52/40/64/384524064.db2.gz IHKBYBBFYXOYRD-ZJUUUORDSA-N 0 3 226.389 3.366 20 0 BGADHN CC[C@H](C)C[C@H](C)NCc1nc(C)cs1 ZINC000085446773 171298093 /nfs/dbraw/zinc/29/80/93/171298093.db2.gz IHKBYBBFYXOYRD-UWVGGRQHSA-N 0 3 226.389 3.366 20 0 BGADHN c1csc(CNCCOCC2CCCC2)c1 ZINC000085490290 387066050 /nfs/dbraw/zinc/06/60/50/387066050.db2.gz RXWIATTVYWYANL-UHFFFAOYSA-N 0 3 239.384 3.045 20 0 BGADHN CC[C@H](NCc1cc[nH]c1)c1ccccc1 ZINC000085579746 398289176 /nfs/dbraw/zinc/28/91/76/398289176.db2.gz QHGVHTWDFSTYGT-AWEZNQCLSA-N 0 3 214.312 3.256 20 0 BGADHN CC[C@@H](NCc1cc[nH]c1)c1ccccc1 ZINC000085579748 344207242 /nfs/dbraw/zinc/20/72/42/344207242.db2.gz QHGVHTWDFSTYGT-CQSZACIVSA-N 0 3 214.312 3.256 20 0 BGADHN c1cc(CN[C@@H]2CCCc3sccc32)c[nH]1 ZINC000085579846 183352031 /nfs/dbraw/zinc/35/20/31/183352031.db2.gz IDYLIJYJZUGHMY-GFCCVEGCSA-N 0 3 232.352 3.243 20 0 BGADHN c1cc(CN[C@H]2CCCc3sccc32)c[nH]1 ZINC000085579848 183353791 /nfs/dbraw/zinc/35/37/91/183353791.db2.gz IDYLIJYJZUGHMY-LBPRGKRZSA-N 0 3 232.352 3.243 20 0 BGADHN Clc1ccc(CNCc2cc[nH]c2)s1 ZINC000085579966 384539149 /nfs/dbraw/zinc/53/91/49/384539149.db2.gz WABDYNBOEGSKEC-UHFFFAOYSA-N 0 3 226.732 3.019 20 0 BGADHN Cc1ccc([C@@H](C)NCc2ccn(C)c2)s1 ZINC000085591045 384957276 /nfs/dbraw/zinc/95/72/76/384957276.db2.gz HGVDNKKBGLQFDY-LLVKDONJSA-N 0 3 234.368 3.246 20 0 BGADHN Cc1ccc([C@H](C)NCc2ccn(C)c2)s1 ZINC000085591047 384956570 /nfs/dbraw/zinc/95/65/70/384956570.db2.gz HGVDNKKBGLQFDY-NSHDSACASA-N 0 3 234.368 3.246 20 0 BGADHN CC[C@H](NCc1ccn(C)c1)c1cccs1 ZINC000085591075 388092048 /nfs/dbraw/zinc/09/20/48/388092048.db2.gz YZZPSNOVYFXMPS-LBPRGKRZSA-N 0 3 234.368 3.328 20 0 BGADHN CC[C@@H](NCc1ccn(C)c1)c1cccs1 ZINC000085591080 388092130 /nfs/dbraw/zinc/09/21/30/388092130.db2.gz YZZPSNOVYFXMPS-GFCCVEGCSA-N 0 3 234.368 3.328 20 0 BGADHN Cn1ccc(CNCc2ccc(Cl)s2)c1 ZINC000085604407 384543866 /nfs/dbraw/zinc/54/38/66/384543866.db2.gz AZQYRFOSOSNERN-UHFFFAOYSA-N 0 3 240.759 3.030 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)o1 ZINC000085632452 384956631 /nfs/dbraw/zinc/95/66/31/384956631.db2.gz XYHYORRSLRQORI-VTPLQMEGSA-N 0 3 249.354 3.052 20 0 BGADHN C[C@H](N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)c1ccco1 ZINC000085672230 388092927 /nfs/dbraw/zinc/09/29/27/388092927.db2.gz ULDMSQHPLHFFDR-VTPLQMEGSA-N 0 3 249.354 3.134 20 0 BGADHN CCO[C@@H]1C[C@H](NCc2ccco2)C12CCCC2 ZINC000085677256 384961484 /nfs/dbraw/zinc/96/14/84/384961484.db2.gz CKFKPGYCYFRSHB-UONOGXRCSA-N 0 3 249.354 3.107 20 0 BGADHN CCO[C@H]1C[C@H](NCc2ccco2)C12CCCC2 ZINC000085677258 384961900 /nfs/dbraw/zinc/96/19/00/384961900.db2.gz CKFKPGYCYFRSHB-KBPBESRZSA-N 0 3 249.354 3.107 20 0 BGADHN CCO[C@@H]1C[C@@H](NCc2ccco2)C12CCCC2 ZINC000085677261 384959636 /nfs/dbraw/zinc/95/96/36/384959636.db2.gz CKFKPGYCYFRSHB-ZIAGYGMSSA-N 0 3 249.354 3.107 20 0 BGADHN CCO[C@H]1C[C@@H](NCc2ccco2)C12CCCC2 ZINC000085677265 384959920 /nfs/dbraw/zinc/95/99/20/384959920.db2.gz CKFKPGYCYFRSHB-KGLIPLIRSA-N 0 3 249.354 3.107 20 0 BGADHN Cc1nc(CNC2CCC(C)CC2)sc1C ZINC000085696395 357553547 /nfs/dbraw/zinc/55/35/47/357553547.db2.gz GASYVHKFMOEPIT-UHFFFAOYSA-N 0 3 238.400 3.428 20 0 BGADHN Cc1nc(CN[C@@H]2CCC[C@H](C)C2)sc1C ZINC000085696405 357553586 /nfs/dbraw/zinc/55/35/86/357553586.db2.gz QKRYQVZZPQACHV-JOYOIKCWSA-N 0 3 238.400 3.428 20 0 BGADHN Cc1nc(CN[C@H]2CCC[C@H](C)C2)sc1C ZINC000085696406 357553729 /nfs/dbraw/zinc/55/37/29/357553729.db2.gz QKRYQVZZPQACHV-CABZTGNLSA-N 0 3 238.400 3.428 20 0 BGADHN Cc1nc(CN[C@@H]2CCC[C@@H](C)C2)sc1C ZINC000085696408 357553562 /nfs/dbraw/zinc/55/35/62/357553562.db2.gz QKRYQVZZPQACHV-BXKDBHETSA-N 0 3 238.400 3.428 20 0 BGADHN Cc1nc(CN[C@H]2CCC[C@@H](C)C2)sc1C ZINC000085696410 134525134 /nfs/dbraw/zinc/52/51/34/134525134.db2.gz QKRYQVZZPQACHV-SKDRFNHKSA-N 0 3 238.400 3.428 20 0 BGADHN CN(Cc1cccc(Cl)n1)C1CCCC1 ZINC000085696689 384960057 /nfs/dbraw/zinc/96/00/57/384960057.db2.gz ICSLGPVVYDXNHH-UHFFFAOYSA-N 0 3 224.735 3.109 20 0 BGADHN CC(C)[C@@H](C)N(C)Cc1cccc(Cl)n1 ZINC000085696696 167369686 /nfs/dbraw/zinc/36/96/86/167369686.db2.gz VTQXPRJTCZAUSQ-SNVBAGLBSA-N 0 3 226.751 3.211 20 0 BGADHN CC(C)[C@H](C)N(C)Cc1cccc(Cl)n1 ZINC000085696698 384542721 /nfs/dbraw/zinc/54/27/21/384542721.db2.gz VTQXPRJTCZAUSQ-JTQLQIEISA-N 0 3 226.751 3.211 20 0 BGADHN CCN(Cc1cccc(Cl)n1)CC(C)C ZINC000085696740 343601415 /nfs/dbraw/zinc/60/14/15/343601415.db2.gz RZRZIUPPAGHTQL-UHFFFAOYSA-N 0 3 226.751 3.213 20 0 BGADHN CCCN(CCC)Cc1cccc(Cl)n1 ZINC000085696741 169148537 /nfs/dbraw/zinc/14/85/37/169148537.db2.gz TZJMUWHGSSFVBN-UHFFFAOYSA-N 0 3 226.751 3.357 20 0 BGADHN CCCCN(Cc1cccc(Cl)n1)C1CC1 ZINC000085696747 384542269 /nfs/dbraw/zinc/54/22/69/384542269.db2.gz FNGBYJAOSHPEFO-UHFFFAOYSA-N 0 3 238.762 3.500 20 0 BGADHN CC(C)CCN(C)Cc1cccc(Cl)n1 ZINC000085696802 643769732 /nfs/dbraw/zinc/76/97/32/643769732.db2.gz LKNMREPZPWHEDY-UHFFFAOYSA-N 0 3 226.751 3.213 20 0 BGADHN CN(Cc1cccc(Cl)n1)CC1CCCC1 ZINC000085696854 384542508 /nfs/dbraw/zinc/54/25/08/384542508.db2.gz XNFHLPQPNMRJJZ-UHFFFAOYSA-N 0 3 238.762 3.357 20 0 BGADHN CC[C@@H]1CCCN1Cc1cccc(Cl)n1 ZINC000085696896 643769265 /nfs/dbraw/zinc/76/92/65/643769265.db2.gz ZLOHMTLATATMJQ-LLVKDONJSA-N 0 3 224.735 3.109 20 0 BGADHN CC[C@H]1CCCN1Cc1cccc(Cl)n1 ZINC000085696898 643769159 /nfs/dbraw/zinc/76/91/59/643769159.db2.gz ZLOHMTLATATMJQ-NSHDSACASA-N 0 3 224.735 3.109 20 0 BGADHN CCCN(Cc1cccc(Cl)n1)C1CC1 ZINC000085696935 169175324 /nfs/dbraw/zinc/17/53/24/169175324.db2.gz TXGHELYKIPKVBQ-UHFFFAOYSA-N 0 3 224.735 3.109 20 0 BGADHN CC1(C)C(CNCc2ccco2)C1(C)C ZINC000085709754 357559625 /nfs/dbraw/zinc/55/96/25/357559625.db2.gz PXVMDBMPZGCRKG-UHFFFAOYSA-N 0 3 207.317 3.051 20 0 BGADHN COc1ccc(CN2CCCC[C@H]2C(C)C)cn1 ZINC000085820308 387504298 /nfs/dbraw/zinc/50/42/98/387504298.db2.gz RXLFBZKLYYJYNN-AWEZNQCLSA-N 0 3 248.370 3.101 20 0 BGADHN COc1ccc(CN2CCCC[C@@H]2C(C)C)cn1 ZINC000085820310 387503847 /nfs/dbraw/zinc/50/38/47/387503847.db2.gz RXLFBZKLYYJYNN-CQSZACIVSA-N 0 3 248.370 3.101 20 0 BGADHN CC(C)CNCc1nc2ccc(F)cc2s1 ZINC000085932467 535170200 /nfs/dbraw/zinc/17/02/00/535170200.db2.gz DWTWKZIVEXVETA-UHFFFAOYSA-N 0 3 238.331 3.181 20 0 BGADHN CC[C@@H](C)NCc1nc2ccc(F)cc2s1 ZINC000085932616 388097385 /nfs/dbraw/zinc/09/73/85/388097385.db2.gz SQAYHLYINZEZHO-MRVPVSSYSA-N 0 3 238.331 3.324 20 0 BGADHN CC[C@H](C)NCc1nc2ccc(F)cc2s1 ZINC000085932619 388097398 /nfs/dbraw/zinc/09/73/98/388097398.db2.gz SQAYHLYINZEZHO-QMMMGPOBSA-N 0 3 238.331 3.324 20 0 BGADHN CC[C@H](C)[C@@H](C)NC/C(Cl)=C/Cl ZINC000085978173 643626988 /nfs/dbraw/zinc/62/69/88/643626988.db2.gz GUPPRWCBECTKCO-DNQIDNJZSA-N 0 3 210.148 3.330 20 0 BGADHN CC[C@H](C)[C@H](C)NC/C(Cl)=C/Cl ZINC000085978179 644454940 /nfs/dbraw/zinc/45/49/40/644454940.db2.gz GUPPRWCBECTKCO-YBXZGVKSSA-N 0 3 210.148 3.330 20 0 BGADHN C[C@@H]1CCC[C@@H]1NC/C(Cl)=C/Cl ZINC000085979145 643874800 /nfs/dbraw/zinc/87/48/00/643874800.db2.gz VBXGNCUKHCJMLB-BVQMJAIZSA-N 0 3 208.132 3.084 20 0 BGADHN C[C@@H]1CCC[C@H]1NC/C(Cl)=C/Cl ZINC000085979152 643874922 /nfs/dbraw/zinc/87/49/22/643874922.db2.gz VBXGNCUKHCJMLB-HMDQVIMHSA-N 0 3 208.132 3.084 20 0 BGADHN C[C@H](NC/C(Cl)=C/Cl)C1CCCC1 ZINC000085979303 643874404 /nfs/dbraw/zinc/87/44/04/643874404.db2.gz UUOGTSIACSEEAW-KZSPTFSBSA-N 0 3 222.159 3.474 20 0 BGADHN C[C@@H](NC/C(Cl)=C/Cl)C1CCCC1 ZINC000085979307 643626724 /nfs/dbraw/zinc/62/67/24/643626724.db2.gz UUOGTSIACSEEAW-NDVARNPJSA-N 0 3 222.159 3.474 20 0 BGADHN Cc1c2ccccc2oc1[C@@H](C)NCC[C@@H](C)O ZINC000085983929 384976124 /nfs/dbraw/zinc/97/61/24/384976124.db2.gz VNRZQBNNEPPPTC-ZYHUDNBSSA-N 0 3 247.338 3.163 20 0 BGADHN Cc1c2ccccc2oc1[C@H](C)NCC[C@@H](C)O ZINC000085983930 384976080 /nfs/dbraw/zinc/97/60/80/384976080.db2.gz VNRZQBNNEPPPTC-PWSUYJOCSA-N 0 3 247.338 3.163 20 0 BGADHN Cc1c2ccccc2oc1[C@@H](C)NCC[C@H](C)O ZINC000085983933 384976292 /nfs/dbraw/zinc/97/62/92/384976292.db2.gz VNRZQBNNEPPPTC-CMPLNLGQSA-N 0 3 247.338 3.163 20 0 BGADHN Cc1c2ccccc2oc1[C@H](C)NCC[C@H](C)O ZINC000085983935 384976637 /nfs/dbraw/zinc/97/66/37/384976637.db2.gz VNRZQBNNEPPPTC-JQWIXIFHSA-N 0 3 247.338 3.163 20 0 BGADHN CCC(CC)N[C@@H](C)c1c(C)noc1C ZINC000086109619 491057670 /nfs/dbraw/zinc/05/76/70/491057670.db2.gz WOPXIOIEMVPSTN-QMMMGPOBSA-N 0 3 210.321 3.131 20 0 BGADHN CCC(CC)N[C@H](C)c1c(C)noc1C ZINC000086109621 491057629 /nfs/dbraw/zinc/05/76/29/491057629.db2.gz WOPXIOIEMVPSTN-MRVPVSSYSA-N 0 3 210.321 3.131 20 0 BGADHN Cc1noc(C)c1[C@@H](C)NCC1CCCC1 ZINC000086109645 491057351 /nfs/dbraw/zinc/05/73/51/491057351.db2.gz OYUKKFWAJRFBOC-SECBINFHSA-N 0 3 222.332 3.132 20 0 BGADHN Cc1noc(C)c1[C@H](C)NCC1CCCC1 ZINC000086109646 491057327 /nfs/dbraw/zinc/05/73/27/491057327.db2.gz OYUKKFWAJRFBOC-VIFPVBQESA-N 0 3 222.332 3.132 20 0 BGADHN Cc1noc(C)c1[C@@H](C)N[C@@H](C)CC(C)C ZINC000086109673 491057371 /nfs/dbraw/zinc/05/73/71/491057371.db2.gz XYVJQGLJDOIEPB-VHSXEESVSA-N 0 3 224.348 3.377 20 0 BGADHN Cc1noc(C)c1[C@H](C)N[C@@H](C)CC(C)C ZINC000086109674 491057373 /nfs/dbraw/zinc/05/73/73/491057373.db2.gz XYVJQGLJDOIEPB-UWVGGRQHSA-N 0 3 224.348 3.377 20 0 BGADHN Cc1noc(C)c1[C@@H](C)N[C@H](C)CC(C)C ZINC000086109676 491057345 /nfs/dbraw/zinc/05/73/45/491057345.db2.gz XYVJQGLJDOIEPB-NXEZZACHSA-N 0 3 224.348 3.377 20 0 BGADHN Cc1noc(C)c1[C@H](C)N[C@H](C)CC(C)C ZINC000086109677 491057325 /nfs/dbraw/zinc/05/73/25/491057325.db2.gz XYVJQGLJDOIEPB-ZJUUUORDSA-N 0 3 224.348 3.377 20 0 BGADHN CCC[C@@H](C)CN[C@@H](C)c1c(C)noc1C ZINC000086109694 491057375 /nfs/dbraw/zinc/05/73/75/491057375.db2.gz ZQYGNHGNSVUTHC-ZJUUUORDSA-N 0 3 224.348 3.378 20 0 BGADHN CCC[C@H](C)CN[C@@H](C)c1c(C)noc1C ZINC000086109696 491057347 /nfs/dbraw/zinc/05/73/47/491057347.db2.gz ZQYGNHGNSVUTHC-UWVGGRQHSA-N 0 3 224.348 3.378 20 0 BGADHN CCC[C@@H](C)CN[C@H](C)c1c(C)noc1C ZINC000086109698 491057340 /nfs/dbraw/zinc/05/73/40/491057340.db2.gz ZQYGNHGNSVUTHC-NXEZZACHSA-N 0 3 224.348 3.378 20 0 BGADHN CCC[C@H](C)CN[C@H](C)c1c(C)noc1C ZINC000086109699 491057357 /nfs/dbraw/zinc/05/73/57/491057357.db2.gz ZQYGNHGNSVUTHC-VHSXEESVSA-N 0 3 224.348 3.378 20 0 BGADHN CCCCCN[C@@H](C)c1c(C)noc1C ZINC000086109746 491057511 /nfs/dbraw/zinc/05/75/11/491057511.db2.gz FHZQOWSCSKTCGA-VIFPVBQESA-N 0 3 210.321 3.132 20 0 BGADHN CCCCCN[C@H](C)c1c(C)noc1C ZINC000086109747 491057502 /nfs/dbraw/zinc/05/75/02/491057502.db2.gz FHZQOWSCSKTCGA-SECBINFHSA-N 0 3 210.321 3.132 20 0 BGADHN CCC[C@@H](C)N[C@@H](C)c1c(C)noc1C ZINC000086109760 491057456 /nfs/dbraw/zinc/05/74/56/491057456.db2.gz BZANUQUVCQYHMJ-BDAKNGLRSA-N 0 3 210.321 3.131 20 0 BGADHN CCC[C@H](C)N[C@@H](C)c1c(C)noc1C ZINC000086109761 491057415 /nfs/dbraw/zinc/05/74/15/491057415.db2.gz BZANUQUVCQYHMJ-IUCAKERBSA-N 0 3 210.321 3.131 20 0 BGADHN CCC[C@@H](C)N[C@H](C)c1c(C)noc1C ZINC000086109762 491057478 /nfs/dbraw/zinc/05/74/78/491057478.db2.gz BZANUQUVCQYHMJ-RKDXNWHRSA-N 0 3 210.321 3.131 20 0 BGADHN CCC[C@H](C)N[C@H](C)c1c(C)noc1C ZINC000086109763 491057543 /nfs/dbraw/zinc/05/75/43/491057543.db2.gz BZANUQUVCQYHMJ-DTWKUNHWSA-N 0 3 210.321 3.131 20 0 BGADHN Cc1noc(C)c1[C@@H](C)NC1CCCCC1 ZINC000086109795 491057430 /nfs/dbraw/zinc/05/74/30/491057430.db2.gz ZGZFLZPKXBRNMK-SECBINFHSA-N 0 3 222.332 3.275 20 0 BGADHN Cc1noc(C)c1[C@H](C)NC1CCCCC1 ZINC000086109797 491057449 /nfs/dbraw/zinc/05/74/49/491057449.db2.gz ZGZFLZPKXBRNMK-VIFPVBQESA-N 0 3 222.332 3.275 20 0 BGADHN Cc1noc(C)c1[C@H](C)N[C@@H]1CC[C@H](C)C1 ZINC000086109808 491057499 /nfs/dbraw/zinc/05/74/99/491057499.db2.gz CNJBBPFSZXCNFC-HOTUBEGUSA-N 0 3 222.332 3.131 20 0 BGADHN Cc1noc(C)c1[C@H](C)N[C@H]1CC[C@H](C)C1 ZINC000086109814 491057557 /nfs/dbraw/zinc/05/75/57/491057557.db2.gz CNJBBPFSZXCNFC-AUTRQRHGSA-N 0 3 222.332 3.131 20 0 BGADHN Cc1noc(C)c1[C@@H](C)NCCC(C)(C)C ZINC000086109815 491057427 /nfs/dbraw/zinc/05/74/27/491057427.db2.gz FXJXNFKTIFUETO-SECBINFHSA-N 0 3 224.348 3.378 20 0 BGADHN Cc1noc(C)c1[C@H](C)NCCC(C)(C)C ZINC000086109818 491057528 /nfs/dbraw/zinc/05/75/28/491057528.db2.gz FXJXNFKTIFUETO-VIFPVBQESA-N 0 3 224.348 3.378 20 0 BGADHN CCC(CC)CN[C@@H](C)c1c(C)noc1C ZINC000086109874 566300633 /nfs/dbraw/zinc/30/06/33/566300633.db2.gz LVSCTODQCPWNRO-VIFPVBQESA-N 0 3 224.348 3.378 20 0 BGADHN CCC(CC)CN[C@H](C)c1c(C)noc1C ZINC000086109876 491057424 /nfs/dbraw/zinc/05/74/24/491057424.db2.gz LVSCTODQCPWNRO-SECBINFHSA-N 0 3 224.348 3.378 20 0 BGADHN CCCC[C@@H](CC)NCc1c(C)noc1C ZINC000086109948 357853716 /nfs/dbraw/zinc/85/37/16/357853716.db2.gz JOWGIDIAKYAQHL-GFCCVEGCSA-N 0 3 224.348 3.350 20 0 BGADHN CCCC[C@H](CC)NCc1c(C)noc1C ZINC000086109950 357853504 /nfs/dbraw/zinc/85/35/04/357853504.db2.gz JOWGIDIAKYAQHL-LBPRGKRZSA-N 0 3 224.348 3.350 20 0 BGADHN CC[C@H](Nc1cccc(CN(C)C)c1)C1CC1 ZINC000086117226 491057899 /nfs/dbraw/zinc/05/78/99/491057899.db2.gz VLTUNKGFAZZIKF-HNNXBMFYSA-N 0 3 232.371 3.349 20 0 BGADHN CC[C@@H](Nc1cccc(CN(C)C)c1)C1CC1 ZINC000086117227 491057941 /nfs/dbraw/zinc/05/79/41/491057941.db2.gz VLTUNKGFAZZIKF-OAHLLOKOSA-N 0 3 232.371 3.349 20 0 BGADHN CC[C@H](NCc1cccnc1OC(C)C)C1CC1 ZINC000086119738 491058017 /nfs/dbraw/zinc/05/80/17/491058017.db2.gz YWCWIZZILJFDNF-AWEZNQCLSA-N 0 3 248.370 3.147 20 0 BGADHN CC[C@@H](NCc1cccnc1OC(C)C)C1CC1 ZINC000086119739 491057987 /nfs/dbraw/zinc/05/79/87/491057987.db2.gz YWCWIZZILJFDNF-CQSZACIVSA-N 0 3 248.370 3.147 20 0 BGADHN CC(C)[C@@H](CO)N[C@@H](C)c1ccc(Cl)s1 ZINC000086121422 384604235 /nfs/dbraw/zinc/60/42/35/384604235.db2.gz MCNDWXPUZGDXPX-DTWKUNHWSA-N 0 3 247.791 3.069 20 0 BGADHN CC(C)[C@H](CO)N[C@@H](C)c1ccc(Cl)s1 ZINC000086121435 343610442 /nfs/dbraw/zinc/61/04/42/343610442.db2.gz MCNDWXPUZGDXPX-IUCAKERBSA-N 0 3 247.791 3.069 20 0 BGADHN CC(C)[C@@H](CO)N[C@H](C)c1ccc(Cl)s1 ZINC000086121437 384604855 /nfs/dbraw/zinc/60/48/55/384604855.db2.gz MCNDWXPUZGDXPX-RKDXNWHRSA-N 0 3 247.791 3.069 20 0 BGADHN CC(C)[C@H](CO)N[C@H](C)c1ccc(Cl)s1 ZINC000086121440 343610364 /nfs/dbraw/zinc/61/03/64/343610364.db2.gz MCNDWXPUZGDXPX-BDAKNGLRSA-N 0 3 247.791 3.069 20 0 BGADHN CC(C)[C@@H](CO)N[C@@H](C)c1ccccc1Cl ZINC000086122073 384989146 /nfs/dbraw/zinc/98/91/46/384989146.db2.gz OHHXRBGFGYPGSO-GXFFZTMASA-N 0 3 241.762 3.008 20 0 BGADHN CC(C)[C@H](CO)N[C@@H](C)c1ccccc1Cl ZINC000086122080 357854387 /nfs/dbraw/zinc/85/43/87/357854387.db2.gz OHHXRBGFGYPGSO-GWCFXTLKSA-N 0 3 241.762 3.008 20 0 BGADHN CC(C)[C@@H](CO)N[C@H](C)c1ccccc1Cl ZINC000086122082 384987052 /nfs/dbraw/zinc/98/70/52/384987052.db2.gz OHHXRBGFGYPGSO-ZWNOBZJWSA-N 0 3 241.762 3.008 20 0 BGADHN CC(C)[C@H](CO)N[C@H](C)c1ccccc1Cl ZINC000086122085 357854396 /nfs/dbraw/zinc/85/43/96/357854396.db2.gz OHHXRBGFGYPGSO-MFKMUULPSA-N 0 3 241.762 3.008 20 0 BGADHN CC(C)(C)NCc1nc2ccc(F)cc2s1 ZINC000086137501 357856574 /nfs/dbraw/zinc/85/65/74/357856574.db2.gz BLQIKMFMORFAFR-UHFFFAOYSA-N 0 3 238.331 3.324 20 0 BGADHN C[C@H](NCCC(C)(C)O)c1ccc(Cl)s1 ZINC000086235533 343615127 /nfs/dbraw/zinc/61/51/27/343615127.db2.gz ANYVKBHEWXZIKD-QMMMGPOBSA-N 0 3 247.791 3.213 20 0 BGADHN C[C@@H](NCCC(C)(C)O)c1ccc(Cl)s1 ZINC000086235536 343614912 /nfs/dbraw/zinc/61/49/12/343614912.db2.gz ANYVKBHEWXZIKD-MRVPVSSYSA-N 0 3 247.791 3.213 20 0 BGADHN CCC(C)(CC)NCc1nc2ccccc2o1 ZINC000086239103 583085131 /nfs/dbraw/zinc/08/51/31/583085131.db2.gz NWTIUBAIZKFBEX-UHFFFAOYSA-N 0 3 232.327 3.496 20 0 BGADHN Cc1nc(CNCC2C(C)(C)C2(C)C)cs1 ZINC000086239424 357875111 /nfs/dbraw/zinc/87/51/11/357875111.db2.gz BXOUVMWRBUJMPE-UHFFFAOYSA-N 0 3 238.400 3.223 20 0 BGADHN C[C@H](NCC1C(C)(C)C1(C)C)c1nccs1 ZINC000086239440 357875254 /nfs/dbraw/zinc/87/52/54/357875254.db2.gz ZXWHUBPZDIONKJ-VIFPVBQESA-N 0 3 238.400 3.476 20 0 BGADHN C[C@@H](NCC1C(C)(C)C1(C)C)c1nccs1 ZINC000086239441 357875447 /nfs/dbraw/zinc/87/54/47/357875447.db2.gz ZXWHUBPZDIONKJ-SECBINFHSA-N 0 3 238.400 3.476 20 0 BGADHN Cc1ccc(CNC2C(C)(C)C2(C)C)o1 ZINC000086239586 343615570 /nfs/dbraw/zinc/61/55/70/343615570.db2.gz XYWVQDNDNYCTNW-UHFFFAOYSA-N 0 3 207.317 3.112 20 0 BGADHN C[C@H](NC1C(C)(C)C1(C)C)c1ccccn1 ZINC000086239720 357875377 /nfs/dbraw/zinc/87/53/77/357875377.db2.gz RTYQNOJJZSRQJE-JTQLQIEISA-N 0 3 218.344 3.167 20 0 BGADHN C[C@@H](NC1C(C)(C)C1(C)C)c1ccccn1 ZINC000086239721 357875454 /nfs/dbraw/zinc/87/54/54/357875454.db2.gz RTYQNOJJZSRQJE-SNVBAGLBSA-N 0 3 218.344 3.167 20 0 BGADHN Cc1nc(C)c(CNC2C(C)(C)C2(C)C)s1 ZINC000086239768 357875101 /nfs/dbraw/zinc/87/51/01/357875101.db2.gz NPGDOCLPKCLUHR-UHFFFAOYSA-N 0 3 238.400 3.284 20 0 BGADHN CCc1ncc(CNC2C(C)(C)C2(C)C)s1 ZINC000086239868 357874982 /nfs/dbraw/zinc/87/49/82/357874982.db2.gz PDPNPDCNUGXABP-UHFFFAOYSA-N 0 3 238.400 3.230 20 0 BGADHN CC1(C)C(NCc2ccsc2)C1(C)C ZINC000086239884 357875237 /nfs/dbraw/zinc/87/52/37/357875237.db2.gz VPIGPVCOHHJETG-UHFFFAOYSA-N 0 3 209.358 3.272 20 0 BGADHN CC1(C)C(NCc2ccncc2Cl)C1(C)C ZINC000086240241 643970584 /nfs/dbraw/zinc/97/05/84/643970584.db2.gz JUMNYCAXJKWQMQ-UHFFFAOYSA-N 0 3 238.762 3.259 20 0 BGADHN CC(C)Oc1ccc(CNCc2cc[nH]c2)cc1 ZINC000086250113 167294245 /nfs/dbraw/zinc/29/42/45/167294245.db2.gz AGGWWBZYZANWCF-UHFFFAOYSA-N 0 3 244.338 3.092 20 0 BGADHN CCCOc1ccc(CNCc2cc[nH]c2)cc1 ZINC000086251176 169318329 /nfs/dbraw/zinc/31/83/29/169318329.db2.gz LIJPEXGXVUICJE-UHFFFAOYSA-N 0 3 244.338 3.093 20 0 BGADHN CC(C)Oc1cccc(CNCc2cc[nH]c2)c1 ZINC000086251241 643315843 /nfs/dbraw/zinc/31/58/43/643315843.db2.gz GLWLVZQFBOWZHA-UHFFFAOYSA-N 0 3 244.338 3.092 20 0 BGADHN CSc1ccc(CNCc2cc[nH]c2)cc1 ZINC000086251732 387517939 /nfs/dbraw/zinc/51/79/39/387517939.db2.gz OSYAYVAYLVJFCX-UHFFFAOYSA-N 0 3 232.352 3.026 20 0 BGADHN c1cc(CNCc2ccc3ccccc3c2)c[nH]1 ZINC000086251920 388684217 /nfs/dbraw/zinc/68/42/17/388684217.db2.gz RBPBFDMVSOGZNQ-UHFFFAOYSA-N 0 3 236.318 3.458 20 0 BGADHN CCOc1cccc([C@@H](C)NCc2cc[nH]c2)c1 ZINC000086252225 385002608 /nfs/dbraw/zinc/00/26/08/385002608.db2.gz UNUSLXOBRSANHL-GFCCVEGCSA-N 0 3 244.338 3.264 20 0 BGADHN CCOc1cccc([C@H](C)NCc2cc[nH]c2)c1 ZINC000086252227 385001849 /nfs/dbraw/zinc/00/18/49/385001849.db2.gz UNUSLXOBRSANHL-LBPRGKRZSA-N 0 3 244.338 3.264 20 0 BGADHN Cc1cc(C)c(CNCc2cc[nH]c2)c(C)c1 ZINC000086252237 385002858 /nfs/dbraw/zinc/00/28/58/385002858.db2.gz KJNVILXGCYJPMU-UHFFFAOYSA-N 0 3 228.339 3.230 20 0 BGADHN c1cc(CNC2(c3ccccc3)CCC2)c[nH]1 ZINC000086252298 183389346 /nfs/dbraw/zinc/38/93/46/183389346.db2.gz RVDQFZGBYBGFOO-UHFFFAOYSA-N 0 3 226.323 3.184 20 0 BGADHN Fc1ccc(C2(NCc3cc[nH]c3)CCC2)cc1 ZINC000086252526 491060202 /nfs/dbraw/zinc/06/02/02/491060202.db2.gz KHCDXUUITWPXPO-UHFFFAOYSA-N 0 3 244.313 3.323 20 0 BGADHN Cc1cccc2c1CC[C@@H]2NCc1cc[nH]c1 ZINC000086253086 345536559 /nfs/dbraw/zinc/53/65/59/345536559.db2.gz XTFGXAVMPMPCPC-HNNXBMFYSA-N 0 3 226.323 3.100 20 0 BGADHN Cc1cccc2c1CC[C@H]2NCc1cc[nH]c1 ZINC000086253088 345536518 /nfs/dbraw/zinc/53/65/18/345536518.db2.gz XTFGXAVMPMPCPC-OAHLLOKOSA-N 0 3 226.323 3.100 20 0 BGADHN Clc1ccc(C2(NCc3cc[nH]c3)CC2)cc1 ZINC000086253713 345536775 /nfs/dbraw/zinc/53/67/75/345536775.db2.gz YBUVZDPMORXJEK-UHFFFAOYSA-N 0 3 246.741 3.447 20 0 BGADHN c1cc(CNCc2coc3ccccc23)c[nH]1 ZINC000086254168 345536795 /nfs/dbraw/zinc/53/67/95/345536795.db2.gz SDKUTIDTYHQNQX-UHFFFAOYSA-N 0 3 226.279 3.051 20 0 BGADHN Cc1cccnc1[C@H](NCc1cc[nH]c1)C(C)C ZINC000086254237 179399181 /nfs/dbraw/zinc/39/91/81/179399181.db2.gz QBVAZHTWOGOALS-CQSZACIVSA-N 0 3 243.354 3.205 20 0 BGADHN Cc1cccnc1[C@@H](NCc1cc[nH]c1)C(C)C ZINC000086254238 179398413 /nfs/dbraw/zinc/39/84/13/179398413.db2.gz QBVAZHTWOGOALS-AWEZNQCLSA-N 0 3 243.354 3.205 20 0 BGADHN Cc1cccc([C@@H](C)NCc2cc[nH]c2)c1C ZINC000086254298 179183227 /nfs/dbraw/zinc/18/32/27/179183227.db2.gz QHHGDJHWGQXNSX-CYBMUJFWSA-N 0 3 228.339 3.482 20 0 BGADHN Cc1cccc([C@H](C)NCc2cc[nH]c2)c1C ZINC000086254300 179195774 /nfs/dbraw/zinc/19/57/74/179195774.db2.gz QHHGDJHWGQXNSX-ZDUSSCGKSA-N 0 3 228.339 3.482 20 0 BGADHN Cc1cccc(C(C)(C)NCc2cc[nH]c2)c1 ZINC000086254653 179028086 /nfs/dbraw/zinc/02/80/86/179028086.db2.gz XVVBUWGWNZGESZ-UHFFFAOYSA-N 0 3 228.339 3.348 20 0 BGADHN CC(C)(NCc1cc[nH]c1)c1cccc(F)c1 ZINC000086254720 385002942 /nfs/dbraw/zinc/00/29/42/385002942.db2.gz DKZIVRFGCYJTFS-UHFFFAOYSA-N 0 3 232.302 3.179 20 0 BGADHN Clc1cccc(C2(NCc3cc[nH]c3)CC2)c1 ZINC000086254938 385002587 /nfs/dbraw/zinc/00/25/87/385002587.db2.gz RBVGTGPKGUVPGT-UHFFFAOYSA-N 0 3 246.741 3.447 20 0 BGADHN Clc1csc(CNCCc2ccco2)c1 ZINC000086332343 384642294 /nfs/dbraw/zinc/64/22/94/384642294.db2.gz LEJQKWUIJCCYIY-UHFFFAOYSA-N 0 3 241.743 3.327 20 0 BGADHN CCCCOCCNCc1cc(Cl)cs1 ZINC000086332554 135081292 /nfs/dbraw/zinc/08/12/92/135081292.db2.gz JTGNSQQASFIHAR-UHFFFAOYSA-N 0 3 247.791 3.308 20 0 BGADHN Clc1csc(CNC[C@@H]2CCCCO2)c1 ZINC000086332637 384639994 /nfs/dbraw/zinc/63/99/94/384639994.db2.gz UQBYLOQIGFISLS-JTQLQIEISA-N 0 3 245.775 3.060 20 0 BGADHN Clc1csc(CNC[C@H]2CCCCO2)c1 ZINC000086332638 384638934 /nfs/dbraw/zinc/63/89/34/384638934.db2.gz UQBYLOQIGFISLS-SNVBAGLBSA-N 0 3 245.775 3.060 20 0 BGADHN CC1(C)C[C@@H]1NCc1cc(Cl)cs1 ZINC000086332693 135081760 /nfs/dbraw/zinc/08/17/60/135081760.db2.gz ACEJUHQKIGGGBB-VIFPVBQESA-N 0 3 215.749 3.290 20 0 BGADHN CC1(C)C[C@H]1NCc1cc(Cl)cs1 ZINC000086332695 534932988 /nfs/dbraw/zinc/93/29/88/534932988.db2.gz ACEJUHQKIGGGBB-SECBINFHSA-N 0 3 215.749 3.290 20 0 BGADHN CO[C@@H]1CCC[C@H]1NCc1cc(Cl)cs1 ZINC000086332716 387520565 /nfs/dbraw/zinc/52/05/65/387520565.db2.gz PMFUWTURBLYPPU-GHMZBOCLSA-N 0 3 245.775 3.059 20 0 BGADHN FC(F)(F)CCNCc1cc(Cl)cs1 ZINC000086332797 384638283 /nfs/dbraw/zinc/63/82/83/384638283.db2.gz WVZVZJXREAVPRW-UHFFFAOYSA-N 0 3 243.681 3.444 20 0 BGADHN COC[C@@H](NCc1cc(Cl)cs1)C(C)C ZINC000086333004 358944165 /nfs/dbraw/zinc/94/41/65/358944165.db2.gz KFTILBOMHOWUFK-LLVKDONJSA-N 0 3 247.791 3.162 20 0 BGADHN COC[C@H](NCc1cc(Cl)cs1)C(C)C ZINC000086333005 358944326 /nfs/dbraw/zinc/94/43/26/358944326.db2.gz KFTILBOMHOWUFK-NSHDSACASA-N 0 3 247.791 3.162 20 0 BGADHN CCC(O)(CC)CNCc1cc(Cl)cs1 ZINC000086333013 384638143 /nfs/dbraw/zinc/63/81/43/384638143.db2.gz YSNQFCKYGLSLMC-UHFFFAOYSA-N 0 3 247.791 3.042 20 0 BGADHN CCCC1CCC(NCc2ccon2)CC1 ZINC000086452641 491061837 /nfs/dbraw/zinc/06/18/37/491061837.db2.gz ZCIRBNVRXZTVAB-UHFFFAOYSA-N 0 3 222.332 3.123 20 0 BGADHN CC[C@@H]1CCC[C@H]([NH2+]Cc2nc(C)ccc2[O-])C1 ZINC000086485765 388103412 /nfs/dbraw/zinc/10/34/12/388103412.db2.gz RJYOQEDVJFWDAR-OLZOCXBDSA-N 0 3 248.370 3.154 20 0 BGADHN CC[C@H]1CCC[C@H]([NH2+]Cc2nc(C)ccc2[O-])C1 ZINC000086485766 536078715 /nfs/dbraw/zinc/07/87/15/536078715.db2.gz RJYOQEDVJFWDAR-STQMWFEESA-N 0 3 248.370 3.154 20 0 BGADHN CC[C@@H]1CCC[C@@H]([NH2+]Cc2nc(C)ccc2[O-])C1 ZINC000086485767 388103957 /nfs/dbraw/zinc/10/39/57/388103957.db2.gz RJYOQEDVJFWDAR-CHWSQXEVSA-N 0 3 248.370 3.154 20 0 BGADHN CC[C@H]1CCC[C@@H]([NH2+]Cc2nc(C)ccc2[O-])C1 ZINC000086485768 388103034 /nfs/dbraw/zinc/10/30/34/388103034.db2.gz RJYOQEDVJFWDAR-QWHCGFSZSA-N 0 3 248.370 3.154 20 0 BGADHN C[C@H](NC[C@@H]1Cc2ccccc21)c1nccs1 ZINC000086509841 491062021 /nfs/dbraw/zinc/06/20/21/491062021.db2.gz FQNBKZLVHWJRRV-JQWIXIFHSA-N 0 3 244.363 3.134 20 0 BGADHN C[C@@H](NC[C@@H]1Cc2ccccc21)c1nccs1 ZINC000086509842 491062035 /nfs/dbraw/zinc/06/20/35/491062035.db2.gz FQNBKZLVHWJRRV-PWSUYJOCSA-N 0 3 244.363 3.134 20 0 BGADHN C[C@H](NC[C@H]1Cc2ccccc21)c1nccs1 ZINC000086509844 491062049 /nfs/dbraw/zinc/06/20/49/491062049.db2.gz FQNBKZLVHWJRRV-CMPLNLGQSA-N 0 3 244.363 3.134 20 0 BGADHN C[C@@H](NC[C@H]1Cc2ccccc21)c1nccs1 ZINC000086509846 491062032 /nfs/dbraw/zinc/06/20/32/491062032.db2.gz FQNBKZLVHWJRRV-ZYHUDNBSSA-N 0 3 244.363 3.134 20 0 BGADHN Cc1cccc(CCN[C@@H](C)c2nccs2)c1 ZINC000086510330 179059818 /nfs/dbraw/zinc/05/98/18/179059818.db2.gz BVLZYKFYGKBVGV-LBPRGKRZSA-N 0 3 246.379 3.345 20 0 BGADHN Cc1cccc(CCN[C@H](C)c2nccs2)c1 ZINC000086510332 179060561 /nfs/dbraw/zinc/06/05/61/179060561.db2.gz BVLZYKFYGKBVGV-GFCCVEGCSA-N 0 3 246.379 3.345 20 0 BGADHN CCCN[C@@H](COC)c1cccc(Cl)c1F ZINC000086525206 169279509 /nfs/dbraw/zinc/27/95/09/169279509.db2.gz HKKZLTWTUWXRAU-NSHDSACASA-N 0 3 245.725 3.166 20 0 BGADHN CCCN[C@H](COC)c1cccc(Cl)c1F ZINC000086525207 169288964 /nfs/dbraw/zinc/28/89/64/169288964.db2.gz HKKZLTWTUWXRAU-LLVKDONJSA-N 0 3 245.725 3.166 20 0 BGADHN CCCNCc1cscc1Br ZINC000086555361 385026492 /nfs/dbraw/zinc/02/64/92/385026492.db2.gz LPBXIJYWPALFJH-UHFFFAOYSA-N 0 3 234.162 3.010 20 0 BGADHN CC(C)NCc1cscc1Br ZINC000086555362 167121029 /nfs/dbraw/zinc/12/10/29/167121029.db2.gz RXEQNZXLXXIGMI-UHFFFAOYSA-N 0 3 234.162 3.009 20 0 BGADHN CC(C)(C)NCc1cscc1Br ZINC000086555366 491063109 /nfs/dbraw/zinc/06/31/09/491063109.db2.gz QVXCDFNVWXNXAT-UHFFFAOYSA-N 0 3 248.189 3.399 20 0 BGADHN CC(C)CNCc1cscc1Br ZINC000086555367 535169967 /nfs/dbraw/zinc/16/99/67/535169967.db2.gz BJTDIEYAVFJMMM-UHFFFAOYSA-N 0 3 248.189 3.256 20 0 BGADHN Cc1c2ccccc2oc1[C@@H](C)NC[C@@H](C)CO ZINC000086626595 385033946 /nfs/dbraw/zinc/03/39/46/385033946.db2.gz LIFXPHGYTBJTAV-ZYHUDNBSSA-N 0 3 247.338 3.020 20 0 BGADHN Cc1c2ccccc2oc1[C@H](C)NC[C@@H](C)CO ZINC000086626598 385033675 /nfs/dbraw/zinc/03/36/75/385033675.db2.gz LIFXPHGYTBJTAV-PWSUYJOCSA-N 0 3 247.338 3.020 20 0 BGADHN Cc1c2ccccc2oc1[C@@H](C)NC[C@H](C)CO ZINC000086626603 385032800 /nfs/dbraw/zinc/03/28/00/385032800.db2.gz LIFXPHGYTBJTAV-CMPLNLGQSA-N 0 3 247.338 3.020 20 0 BGADHN Cc1c2ccccc2oc1[C@H](C)NC[C@H](C)CO ZINC000086626605 385032277 /nfs/dbraw/zinc/03/22/77/385032277.db2.gz LIFXPHGYTBJTAV-JQWIXIFHSA-N 0 3 247.338 3.020 20 0 BGADHN CCC(CC)(CC)NCc1nccn1C(F)F ZINC000086642577 168317279 /nfs/dbraw/zinc/31/72/79/168317279.db2.gz IOPCPLORXDBNGU-UHFFFAOYSA-N 0 3 245.317 3.337 20 0 BGADHN CCN(C)Cc1cc(F)cc(Br)c1 ZINC000086657829 388401338 /nfs/dbraw/zinc/40/13/38/388401338.db2.gz UDHSGJWCWJDDLX-UHFFFAOYSA-N 0 3 246.123 3.040 20 0 BGADHN C[C@@H]1CC(C)(C)CC[C@@H]1NCc1nccs1 ZINC000086662502 135093214 /nfs/dbraw/zinc/09/32/14/135093214.db2.gz HYCLCNMLNFXEQI-MNOVXSKESA-N 0 3 238.400 3.448 20 0 BGADHN C[C@H]1CC(C)(C)CC[C@@H]1NCc1nccs1 ZINC000086662503 135093303 /nfs/dbraw/zinc/09/33/03/135093303.db2.gz HYCLCNMLNFXEQI-QWRGUYRKSA-N 0 3 238.400 3.448 20 0 BGADHN C[C@@H]1CC(C)(C)CC[C@H]1NCc1nccs1 ZINC000086662504 135093059 /nfs/dbraw/zinc/09/30/59/135093059.db2.gz HYCLCNMLNFXEQI-GHMZBOCLSA-N 0 3 238.400 3.448 20 0 BGADHN C[C@H]1CC(C)(C)CC[C@H]1NCc1nccs1 ZINC000086662505 135093627 /nfs/dbraw/zinc/09/36/27/135093627.db2.gz HYCLCNMLNFXEQI-WDEREUQCSA-N 0 3 238.400 3.448 20 0 BGADHN C[C@@H]1CC(C)(C)CC[C@@H]1NCc1cscn1 ZINC000086662510 135093458 /nfs/dbraw/zinc/09/34/58/135093458.db2.gz RALPIIIBXPBDHU-PWSUYJOCSA-N 0 3 238.400 3.448 20 0 BGADHN C[C@H]1CC(C)(C)CC[C@@H]1NCc1cscn1 ZINC000086662511 135093426 /nfs/dbraw/zinc/09/34/26/135093426.db2.gz RALPIIIBXPBDHU-JQWIXIFHSA-N 0 3 238.400 3.448 20 0 BGADHN C[C@@H]1CC(C)(C)CC[C@H]1NCc1cscn1 ZINC000086662512 135093607 /nfs/dbraw/zinc/09/36/07/135093607.db2.gz RALPIIIBXPBDHU-ZYHUDNBSSA-N 0 3 238.400 3.448 20 0 BGADHN C[C@H]1CC(C)(C)CC[C@H]1NCc1cscn1 ZINC000086662513 135093184 /nfs/dbraw/zinc/09/31/84/135093184.db2.gz RALPIIIBXPBDHU-CMPLNLGQSA-N 0 3 238.400 3.448 20 0 BGADHN C[C@@H]1CCC[C@@H]1Nc1cccc(CN(C)C)c1 ZINC000086672973 176133239 /nfs/dbraw/zinc/13/32/39/176133239.db2.gz JTUVCZHTQVIRRZ-DOMZBBRYSA-N 0 3 232.371 3.349 20 0 BGADHN C[C@H]1CCC[C@@H]1Nc1cccc(CN(C)C)c1 ZINC000086672974 177126663 /nfs/dbraw/zinc/12/66/63/177126663.db2.gz JTUVCZHTQVIRRZ-WFASDCNBSA-N 0 3 232.371 3.349 20 0 BGADHN C[C@@H]1CCC[C@H]1Nc1cccc(CN(C)C)c1 ZINC000086672975 176151139 /nfs/dbraw/zinc/15/11/39/176151139.db2.gz JTUVCZHTQVIRRZ-IUODEOHRSA-N 0 3 232.371 3.349 20 0 BGADHN C[C@H]1CCC[C@H]1Nc1cccc(CN(C)C)c1 ZINC000086672976 177142801 /nfs/dbraw/zinc/14/28/01/177142801.db2.gz JTUVCZHTQVIRRZ-SWLSCSKDSA-N 0 3 232.371 3.349 20 0 BGADHN CC(C)Oc1ncccc1CN[C@H]1CCC[C@H]1C ZINC000086675534 491064009 /nfs/dbraw/zinc/06/40/09/491064009.db2.gz ZIYYZYJXQJZRJI-OCCSQVGLSA-N 0 3 248.370 3.147 20 0 BGADHN CC(C)Oc1ncccc1CN[C@H]1CCC[C@@H]1C ZINC000086675535 491064065 /nfs/dbraw/zinc/06/40/65/491064065.db2.gz ZIYYZYJXQJZRJI-JSGCOSHPSA-N 0 3 248.370 3.147 20 0 BGADHN CC(C)Oc1ncccc1CN[C@@H]1CCC[C@H]1C ZINC000086675536 491064022 /nfs/dbraw/zinc/06/40/22/491064022.db2.gz ZIYYZYJXQJZRJI-TZMCWYRMSA-N 0 3 248.370 3.147 20 0 BGADHN CC(C)Oc1ncccc1CN[C@@H]1CCC[C@@H]1C ZINC000086675537 491064014 /nfs/dbraw/zinc/06/40/14/491064014.db2.gz ZIYYZYJXQJZRJI-GXTWGEPZSA-N 0 3 248.370 3.147 20 0 BGADHN C[C@H](NCc1nc(C(C)(C)C)cs1)C1CC1 ZINC000086690518 388408056 /nfs/dbraw/zinc/40/80/56/388408056.db2.gz BPAYBWZURPDSFW-VIFPVBQESA-N 0 3 238.400 3.329 20 0 BGADHN C[C@@H](NCc1nc(C(C)(C)C)cs1)C1CC1 ZINC000086690520 388407472 /nfs/dbraw/zinc/40/74/72/388407472.db2.gz BPAYBWZURPDSFW-SECBINFHSA-N 0 3 238.400 3.329 20 0 BGADHN COC[C@@H](N[C@@H](C)c1ccccc1F)C(C)C ZINC000086695385 388691094 /nfs/dbraw/zinc/69/10/94/388691094.db2.gz RIUQGRXXXUBANM-SMDDNHRTSA-N 0 3 239.334 3.147 20 0 BGADHN COC[C@H](N[C@@H](C)c1ccccc1F)C(C)C ZINC000086695388 325618860 /nfs/dbraw/zinc/61/88/60/325618860.db2.gz RIUQGRXXXUBANM-FZMZJTMJSA-N 0 3 239.334 3.147 20 0 BGADHN COC[C@@H](N[C@H](C)c1ccccc1F)C(C)C ZINC000086695391 388690693 /nfs/dbraw/zinc/69/06/93/388690693.db2.gz RIUQGRXXXUBANM-BXUZGUMPSA-N 0 3 239.334 3.147 20 0 BGADHN COC[C@H](N[C@H](C)c1ccccc1F)C(C)C ZINC000086695396 325618942 /nfs/dbraw/zinc/61/89/42/325618942.db2.gz RIUQGRXXXUBANM-RISCZKNCSA-N 0 3 239.334 3.147 20 0 BGADHN COC[C@@H](NCc1cc2ccccc2o1)C(C)C ZINC000086697974 352509556 /nfs/dbraw/zinc/50/95/56/352509556.db2.gz DOAATVMFHMQCKH-CQSZACIVSA-N 0 3 247.338 3.193 20 0 BGADHN COC[C@H](NCc1cc2ccccc2o1)C(C)C ZINC000086697977 352509878 /nfs/dbraw/zinc/50/98/78/352509878.db2.gz DOAATVMFHMQCKH-AWEZNQCLSA-N 0 3 247.338 3.193 20 0 BGADHN COC[C@H](N[C@H](C)c1cc(C)oc1C)C(C)C ZINC000086698039 368882891 /nfs/dbraw/zinc/88/28/91/368882891.db2.gz OQXLDLMFLZUTBT-RISCZKNCSA-N 0 3 239.359 3.218 20 0 BGADHN COC[C@H](N[C@@H](C)c1cc(C)oc1C)C(C)C ZINC000086698041 368882875 /nfs/dbraw/zinc/88/28/75/368882875.db2.gz OQXLDLMFLZUTBT-FZMZJTMJSA-N 0 3 239.359 3.218 20 0 BGADHN COC[C@@H](N[C@H](C)c1cc(C)oc1C)C(C)C ZINC000086698044 368882859 /nfs/dbraw/zinc/88/28/59/368882859.db2.gz OQXLDLMFLZUTBT-BXUZGUMPSA-N 0 3 239.359 3.218 20 0 BGADHN COC[C@@H](N[C@@H](C)c1cc(C)oc1C)C(C)C ZINC000086698047 368882720 /nfs/dbraw/zinc/88/27/20/368882720.db2.gz OQXLDLMFLZUTBT-SMDDNHRTSA-N 0 3 239.359 3.218 20 0 BGADHN CCN[C@@H](C)c1cc(Br)ccc1F ZINC000086733417 170140995 /nfs/dbraw/zinc/14/09/95/170140995.db2.gz BOUBJJDKJOFRFW-ZETCQYMHSA-N 0 3 246.123 3.259 20 0 BGADHN CCN[C@H](C)c1cc(Br)ccc1F ZINC000086733418 170158878 /nfs/dbraw/zinc/15/88/78/170158878.db2.gz BOUBJJDKJOFRFW-SSDOTTSWSA-N 0 3 246.123 3.259 20 0 BGADHN CCCCN(CCCC)Cc1cnc(N)s1 ZINC000086765675 135096605 /nfs/dbraw/zinc/09/66/05/135096605.db2.gz ZHFWQKXPEGRBSB-UHFFFAOYSA-N 0 3 241.404 3.128 20 0 BGADHN CCCCCN(Cc1cnc(N)s1)C(C)C ZINC000086766027 385683833 /nfs/dbraw/zinc/68/38/33/385683833.db2.gz PRKNRKSHHOYSHX-UHFFFAOYSA-N 0 3 241.404 3.126 20 0 BGADHN CCCN(CCC)Cc1cnc(Cl)s1 ZINC000086776397 169149610 /nfs/dbraw/zinc/14/96/10/169149610.db2.gz OSBVZXRUOPABQJ-UHFFFAOYSA-N 0 3 232.780 3.419 20 0 BGADHN CN(Cc1cnc(Cl)s1)C1CCCC1 ZINC000086776433 644471969 /nfs/dbraw/zinc/47/19/69/644471969.db2.gz WAYIBILNDQDFMN-UHFFFAOYSA-N 0 3 230.764 3.171 20 0 BGADHN CCCN(Cc1cnc(Cl)s1)C(C)C ZINC000086776437 641425287 /nfs/dbraw/zinc/42/52/87/641425287.db2.gz BNXRTKMTSWAFPW-UHFFFAOYSA-N 0 3 232.780 3.417 20 0 BGADHN CCN(Cc1cnc(Cl)s1)CC(C)C ZINC000086776449 343628758 /nfs/dbraw/zinc/62/87/58/343628758.db2.gz VZORMMVUZFNGPL-UHFFFAOYSA-N 0 3 232.780 3.274 20 0 BGADHN CC[C@@H](C)N(CC)Cc1cnc(Cl)s1 ZINC000086776451 644470850 /nfs/dbraw/zinc/47/08/50/644470850.db2.gz KLQADHYHUSEOGI-MRVPVSSYSA-N 0 3 232.780 3.417 20 0 BGADHN CC[C@H](C)N(CC)Cc1cnc(Cl)s1 ZINC000086776453 644472166 /nfs/dbraw/zinc/47/21/66/644472166.db2.gz KLQADHYHUSEOGI-QMMMGPOBSA-N 0 3 232.780 3.417 20 0 BGADHN C[C@@H](C1CC1)N(C)Cc1cnc(Cl)s1 ZINC000086776502 644472120 /nfs/dbraw/zinc/47/21/20/644472120.db2.gz DPLWUCMGWLTQSS-ZETCQYMHSA-N 0 3 230.764 3.027 20 0 BGADHN C[C@H](C1CC1)N(C)Cc1cnc(Cl)s1 ZINC000086776504 643639183 /nfs/dbraw/zinc/63/91/83/643639183.db2.gz DPLWUCMGWLTQSS-SSDOTTSWSA-N 0 3 230.764 3.027 20 0 BGADHN CC(C)[C@@H](C)N(C)Cc1cnc(Cl)s1 ZINC000086776506 167368602 /nfs/dbraw/zinc/36/86/02/167368602.db2.gz MDUPCCLRQNVVBO-MRVPVSSYSA-N 0 3 232.780 3.273 20 0 BGADHN CC(C)[C@H](C)N(C)Cc1cnc(Cl)s1 ZINC000086776508 384682993 /nfs/dbraw/zinc/68/29/93/384682993.db2.gz MDUPCCLRQNVVBO-QMMMGPOBSA-N 0 3 232.780 3.273 20 0 BGADHN CC(C)N(Cc1cnc(Cl)s1)CC1CC1 ZINC000086776732 643639126 /nfs/dbraw/zinc/63/91/26/643639126.db2.gz QZFXPBUMUKPZPJ-UHFFFAOYSA-N 0 3 244.791 3.417 20 0 BGADHN CN(Cc1cnc(Cl)s1)CC1CCCC1 ZINC000086776895 384681661 /nfs/dbraw/zinc/68/16/61/384681661.db2.gz NNBQDAWUQFKXLC-UHFFFAOYSA-N 0 3 244.791 3.419 20 0 BGADHN CCN(Cc1cnc(Cl)s1)CC1CC1 ZINC000086776921 343628643 /nfs/dbraw/zinc/62/86/43/343628643.db2.gz QLIGCTCEJSBWRE-UHFFFAOYSA-N 0 3 230.764 3.028 20 0 BGADHN CCC(C)(C)N(C)Cc1cnc(Cl)s1 ZINC000086776923 168287497 /nfs/dbraw/zinc/28/74/97/168287497.db2.gz VLVINXDIMOVQEA-UHFFFAOYSA-N 0 3 232.780 3.417 20 0 BGADHN Cc1cscc1CNCc1cccs1 ZINC000086815559 136281183 /nfs/dbraw/zinc/28/11/83/136281183.db2.gz NISSTJWQJVKHOC-UHFFFAOYSA-N 0 3 223.366 3.408 20 0 BGADHN Cc1cscc1CNCc1ccccc1 ZINC000086815563 136281146 /nfs/dbraw/zinc/28/11/46/136281146.db2.gz HNFLOZSOVHLRAB-UHFFFAOYSA-N 0 3 217.337 3.346 20 0 BGADHN Cc1ccc(CN[C@@H]2CCCC2(C)C)o1 ZINC000086831070 388512379 /nfs/dbraw/zinc/51/23/79/388512379.db2.gz OLIMVLKORKFPIV-GFCCVEGCSA-N 0 3 207.317 3.256 20 0 BGADHN Cc1ccc(CN[C@H]2CCCC2(C)C)o1 ZINC000086831071 388512913 /nfs/dbraw/zinc/51/29/13/388512913.db2.gz OLIMVLKORKFPIV-LBPRGKRZSA-N 0 3 207.317 3.256 20 0 BGADHN Cc1nc(CN[C@@H]2CCCC2(C)C)cs1 ZINC000086831074 384697776 /nfs/dbraw/zinc/69/77/76/384697776.db2.gz HGXCBYCAOBEMRD-LLVKDONJSA-N 0 3 224.373 3.120 20 0 BGADHN Cc1nc(CN[C@H]2CCCC2(C)C)cs1 ZINC000086831075 384698119 /nfs/dbraw/zinc/69/81/19/384698119.db2.gz HGXCBYCAOBEMRD-NSHDSACASA-N 0 3 224.373 3.120 20 0 BGADHN CCc1nc(CN[C@@H]2CCCC2(C)C)cs1 ZINC000086831096 135097860 /nfs/dbraw/zinc/09/78/60/135097860.db2.gz QOGLXCBVKLAPKO-LLVKDONJSA-N 0 3 238.400 3.374 20 0 BGADHN CCc1nc(CN[C@H]2CCCC2(C)C)cs1 ZINC000086831097 135097128 /nfs/dbraw/zinc/09/71/28/135097128.db2.gz QOGLXCBVKLAPKO-NSHDSACASA-N 0 3 238.400 3.374 20 0 BGADHN Cc1csc(CN[C@@H]2CCCC2(C)C)n1 ZINC000086831110 384697016 /nfs/dbraw/zinc/69/70/16/384697016.db2.gz CGNMAOQHRFDJKD-SNVBAGLBSA-N 0 3 224.373 3.120 20 0 BGADHN Cc1csc(CN[C@H]2CCCC2(C)C)n1 ZINC000086831111 384696257 /nfs/dbraw/zinc/69/62/57/384696257.db2.gz CGNMAOQHRFDJKD-JTQLQIEISA-N 0 3 224.373 3.120 20 0 BGADHN CC1(C)CCCC[C@@H]1NCc1ccco1 ZINC000086842031 135098655 /nfs/dbraw/zinc/09/86/55/135098655.db2.gz UNOLTTNBFZNWRX-LBPRGKRZSA-N 0 3 207.317 3.338 20 0 BGADHN CC1(C)CCCC[C@H]1NCc1ccco1 ZINC000086842035 135098387 /nfs/dbraw/zinc/09/83/87/135098387.db2.gz UNOLTTNBFZNWRX-GFCCVEGCSA-N 0 3 207.317 3.338 20 0 BGADHN CC1(C)CCCC[C@@H]1NCc1nccs1 ZINC000086844366 385052972 /nfs/dbraw/zinc/05/29/72/385052972.db2.gz COTJXACQAAILQW-JTQLQIEISA-N 0 3 224.373 3.202 20 0 BGADHN CC1(C)CCCC[C@H]1NCc1nccs1 ZINC000086844369 384708312 /nfs/dbraw/zinc/70/83/12/384708312.db2.gz COTJXACQAAILQW-SNVBAGLBSA-N 0 3 224.373 3.202 20 0 BGADHN Cc1cc(CN[C@@H]2CCCCC2(C)C)no1 ZINC000086844702 135098847 /nfs/dbraw/zinc/09/88/47/135098847.db2.gz YQSQLEIPRHCZOD-GFCCVEGCSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1cc(CN[C@H]2CCCCC2(C)C)no1 ZINC000086844703 135098435 /nfs/dbraw/zinc/09/84/35/135098435.db2.gz YQSQLEIPRHCZOD-LBPRGKRZSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1cc(CN[C@@H]2CCCCC2(C)C)on1 ZINC000086844756 135098711 /nfs/dbraw/zinc/09/87/11/135098711.db2.gz UUTJZBBTCNMFFK-GFCCVEGCSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1cc(CN[C@H]2CCCCC2(C)C)on1 ZINC000086844759 135098540 /nfs/dbraw/zinc/09/85/40/135098540.db2.gz UUTJZBBTCNMFFK-LBPRGKRZSA-N 0 3 222.332 3.041 20 0 BGADHN CC1(C)CCCC[C@@H]1NCc1cscn1 ZINC000086845376 384707735 /nfs/dbraw/zinc/70/77/35/384707735.db2.gz NJISCIIVJTZLMV-NSHDSACASA-N 0 3 224.373 3.202 20 0 BGADHN CC1(C)CCCC[C@H]1NCc1cscn1 ZINC000086845379 384706520 /nfs/dbraw/zinc/70/65/20/384706520.db2.gz NJISCIIVJTZLMV-LLVKDONJSA-N 0 3 224.373 3.202 20 0 BGADHN C[C@H](N[C@@H]1CCCC1(C)C)c1nccs1 ZINC000086857579 384704215 /nfs/dbraw/zinc/70/42/15/384704215.db2.gz XXPSOIIWWGOSTL-VHSXEESVSA-N 0 3 224.373 3.372 20 0 BGADHN C[C@@H](N[C@@H]1CCCC1(C)C)c1nccs1 ZINC000086857580 384705526 /nfs/dbraw/zinc/70/55/26/384705526.db2.gz XXPSOIIWWGOSTL-NXEZZACHSA-N 0 3 224.373 3.372 20 0 BGADHN C[C@H](N[C@H]1CCCC1(C)C)c1nccs1 ZINC000086857581 384703085 /nfs/dbraw/zinc/70/30/85/384703085.db2.gz XXPSOIIWWGOSTL-UWVGGRQHSA-N 0 3 224.373 3.372 20 0 BGADHN C[C@@H](N[C@H]1CCCC1(C)C)c1nccs1 ZINC000086857582 384705359 /nfs/dbraw/zinc/70/53/59/384705359.db2.gz XXPSOIIWWGOSTL-ZJUUUORDSA-N 0 3 224.373 3.372 20 0 BGADHN CC1(C)CCc2sc([C@@H]3CCCCN3)nc21 ZINC000086857635 487571349 /nfs/dbraw/zinc/57/13/49/487571349.db2.gz CFAKGWLSRRABMC-VIFPVBQESA-N 0 3 236.384 3.182 20 0 BGADHN CC1(C)CCc2sc([C@H]3CCCCN3)nc21 ZINC000086857636 487570680 /nfs/dbraw/zinc/57/06/80/487570680.db2.gz CFAKGWLSRRABMC-SECBINFHSA-N 0 3 236.384 3.182 20 0 BGADHN CC1(C)CCC[C@@H]1NC/C(Cl)=C/Cl ZINC000086874318 644238056 /nfs/dbraw/zinc/23/80/56/644238056.db2.gz WAQJNGVVPVLTMO-XZLDQRQTSA-N 0 3 222.159 3.474 20 0 BGADHN CC1(C)CCC[C@H]1NC/C(Cl)=C/Cl ZINC000086874321 644237227 /nfs/dbraw/zinc/23/72/27/644237227.db2.gz WAQJNGVVPVLTMO-JGAIRUGNSA-N 0 3 222.159 3.474 20 0 BGADHN CC1(C)CCC[C@@H]1NCc1ccncc1Cl ZINC000086874591 135497773 /nfs/dbraw/zinc/49/77/73/135497773.db2.gz LKNJMHKLRTWHJB-LBPRGKRZSA-N 0 3 238.762 3.403 20 0 BGADHN CC1(C)CCC[C@H]1NCc1ccncc1Cl ZINC000086874598 388110467 /nfs/dbraw/zinc/11/04/67/388110467.db2.gz LKNJMHKLRTWHJB-GFCCVEGCSA-N 0 3 238.762 3.403 20 0 BGADHN COc1ncccc1CN[C@H]1CCC[C@@H](C)CC1 ZINC000086887665 487578096 /nfs/dbraw/zinc/57/80/96/487578096.db2.gz SXLVQXBBVRCFKZ-OCCSQVGLSA-N 0 3 248.370 3.149 20 0 BGADHN COc1ncccc1CN[C@H]1CCC[C@H](C)CC1 ZINC000086887668 487578262 /nfs/dbraw/zinc/57/82/62/487578262.db2.gz SXLVQXBBVRCFKZ-JSGCOSHPSA-N 0 3 248.370 3.149 20 0 BGADHN COc1ncccc1CN[C@@H]1CCC[C@@H](C)CC1 ZINC000086887670 487578215 /nfs/dbraw/zinc/57/82/15/487578215.db2.gz SXLVQXBBVRCFKZ-TZMCWYRMSA-N 0 3 248.370 3.149 20 0 BGADHN COc1ncccc1CN[C@@H]1CCC[C@H](C)CC1 ZINC000086887673 487578054 /nfs/dbraw/zinc/57/80/54/487578054.db2.gz SXLVQXBBVRCFKZ-GXTWGEPZSA-N 0 3 248.370 3.149 20 0 BGADHN CC[C@@H]1CCC[C@H](NCc2cc(C)on2)CC1 ZINC000086907537 487583351 /nfs/dbraw/zinc/58/33/51/487583351.db2.gz QIDUTZKHHNGPEP-OLZOCXBDSA-N 0 3 236.359 3.432 20 0 BGADHN CC[C@H]1CCC[C@H](NCc2cc(C)on2)CC1 ZINC000086907538 487582931 /nfs/dbraw/zinc/58/29/31/487582931.db2.gz QIDUTZKHHNGPEP-STQMWFEESA-N 0 3 236.359 3.432 20 0 BGADHN CC[C@@H]1CCC[C@@H](NCc2cc(C)on2)CC1 ZINC000086907540 487583358 /nfs/dbraw/zinc/58/33/58/487583358.db2.gz QIDUTZKHHNGPEP-CHWSQXEVSA-N 0 3 236.359 3.432 20 0 BGADHN CC[C@H]1CCC[C@@H](NCc2cc(C)on2)CC1 ZINC000086907543 487583511 /nfs/dbraw/zinc/58/35/11/487583511.db2.gz QIDUTZKHHNGPEP-QWHCGFSZSA-N 0 3 236.359 3.432 20 0 BGADHN Cc1cc(CN[C@@H]2CCCC(C)(C)CC2)no1 ZINC000086907545 368886593 /nfs/dbraw/zinc/88/65/93/368886593.db2.gz JBGOLCKHDVJIDJ-GFCCVEGCSA-N 0 3 236.359 3.432 20 0 BGADHN Cc1cc(CN[C@H]2CCCC(C)(C)CC2)no1 ZINC000086907548 368886309 /nfs/dbraw/zinc/88/63/09/368886309.db2.gz JBGOLCKHDVJIDJ-LBPRGKRZSA-N 0 3 236.359 3.432 20 0 BGADHN CC[C@@H]1CCC[C@H](NCc2cc(C)no2)CC1 ZINC000086907610 487583472 /nfs/dbraw/zinc/58/34/72/487583472.db2.gz UARQUBLJGSETNZ-OLZOCXBDSA-N 0 3 236.359 3.432 20 0 BGADHN CC[C@H]1CCC[C@H](NCc2cc(C)no2)CC1 ZINC000086907612 487582959 /nfs/dbraw/zinc/58/29/59/487582959.db2.gz UARQUBLJGSETNZ-STQMWFEESA-N 0 3 236.359 3.432 20 0 BGADHN CC[C@@H]1CCC[C@@H](NCc2cc(C)no2)CC1 ZINC000086907614 487583330 /nfs/dbraw/zinc/58/33/30/487583330.db2.gz UARQUBLJGSETNZ-CHWSQXEVSA-N 0 3 236.359 3.432 20 0 BGADHN CC[C@H]1CCC[C@@H](NCc2cc(C)no2)CC1 ZINC000086907616 487582848 /nfs/dbraw/zinc/58/28/48/487582848.db2.gz UARQUBLJGSETNZ-QWHCGFSZSA-N 0 3 236.359 3.432 20 0 BGADHN Cc1cc(CN[C@@H]2CCCC(C)(C)CC2)on1 ZINC000086907621 368886706 /nfs/dbraw/zinc/88/67/06/368886706.db2.gz WWHMNJAYXIEZIM-GFCCVEGCSA-N 0 3 236.359 3.432 20 0 BGADHN Cc1cc(CN[C@H]2CCCC(C)(C)CC2)on1 ZINC000086907624 368886831 /nfs/dbraw/zinc/88/68/31/368886831.db2.gz WWHMNJAYXIEZIM-LBPRGKRZSA-N 0 3 236.359 3.432 20 0 BGADHN CC1(C)C[C@H](NCc2ccsc2)C(C)(C)O1 ZINC000086927389 535368245 /nfs/dbraw/zinc/36/82/45/535368245.db2.gz OCTHJMRKGQOKCV-NSHDSACASA-N 0 3 239.384 3.184 20 0 BGADHN CC1(C)C[C@@H](NCc2ccsc2)C(C)(C)O1 ZINC000086927391 135101916 /nfs/dbraw/zinc/10/19/16/135101916.db2.gz OCTHJMRKGQOKCV-LLVKDONJSA-N 0 3 239.384 3.184 20 0 BGADHN C[C@@H]1C[C@H](NCc2ccccc2Cl)CS1 ZINC000086934156 135102234 /nfs/dbraw/zinc/10/22/34/135102234.db2.gz DFVACJFEPLCSFU-KOLCDFICSA-N 0 3 241.787 3.324 20 0 BGADHN C[C@H]1C[C@H](NCc2ccccc2Cl)CS1 ZINC000086934157 135103150 /nfs/dbraw/zinc/10/31/50/135103150.db2.gz DFVACJFEPLCSFU-ONGXEEELSA-N 0 3 241.787 3.324 20 0 BGADHN C[C@@H]1C[C@@H](NCc2ccccc2Cl)CS1 ZINC000086934158 135103290 /nfs/dbraw/zinc/10/32/90/135103290.db2.gz DFVACJFEPLCSFU-MWLCHTKSSA-N 0 3 241.787 3.324 20 0 BGADHN C[C@H]1C[C@@H](NCc2ccccc2Cl)CS1 ZINC000086934159 135103193 /nfs/dbraw/zinc/10/31/93/135103193.db2.gz DFVACJFEPLCSFU-GXSJLCMTSA-N 0 3 241.787 3.324 20 0 BGADHN C[C@H](N[C@@H]1CS[C@H](C)C1)c1cccc(F)c1 ZINC000086934562 388111140 /nfs/dbraw/zinc/11/11/40/388111140.db2.gz XTGWRVSLFYGZIA-NRUUGDAUSA-N 0 3 239.359 3.370 20 0 BGADHN C[C@H](N[C@H]1CS[C@H](C)C1)c1cccc(F)c1 ZINC000086934564 388111236 /nfs/dbraw/zinc/11/12/36/388111236.db2.gz XTGWRVSLFYGZIA-GBIKHYSHSA-N 0 3 239.359 3.370 20 0 BGADHN C[C@@H]1C[C@H](N[C@@H]2CCCc3occc32)CS1 ZINC000086934638 388111273 /nfs/dbraw/zinc/11/12/73/388111273.db2.gz LUVTXFNLALWMNA-JFGNBEQYSA-N 0 3 237.368 3.141 20 0 BGADHN C[C@@H]1C[C@@H](N[C@@H]2CCCc3occc32)CS1 ZINC000086934640 135499666 /nfs/dbraw/zinc/49/96/66/135499666.db2.gz LUVTXFNLALWMNA-CKYFFXLPSA-N 0 3 237.368 3.141 20 0 BGADHN Cc1ccc([C@H](C)N[C@H]2CS[C@@H](C)C2)o1 ZINC000086934959 135102778 /nfs/dbraw/zinc/10/27/78/135102778.db2.gz BAIBZHWYUXVVAL-GARJFASQSA-N 0 3 225.357 3.133 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H]2CS[C@@H](C)C2)o1 ZINC000086934961 135102711 /nfs/dbraw/zinc/10/27/11/135102711.db2.gz BAIBZHWYUXVVAL-DCAQKATOSA-N 0 3 225.357 3.133 20 0 BGADHN C[C@H](N[C@@H]1CS[C@H](C)C1)c1ccccc1F ZINC000086935316 135102918 /nfs/dbraw/zinc/10/29/18/135102918.db2.gz MNYAORLKVYTOSG-VWYCJHECSA-N 0 3 239.359 3.370 20 0 BGADHN C[C@H](N[C@H]1CS[C@H](C)C1)c1ccccc1F ZINC000086935318 135102974 /nfs/dbraw/zinc/10/29/74/135102974.db2.gz MNYAORLKVYTOSG-OUAUKWLOSA-N 0 3 239.359 3.370 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2CS[C@@H](C)C2)c(C)o1 ZINC000086935699 135104064 /nfs/dbraw/zinc/10/40/64/135104064.db2.gz FYGPGCPQAPINJS-JBLDHEPKSA-N 0 3 239.384 3.441 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CS[C@@H](C)C2)c(C)o1 ZINC000086935701 135104361 /nfs/dbraw/zinc/10/43/61/135104361.db2.gz FYGPGCPQAPINJS-NHCYSSNCSA-N 0 3 239.384 3.441 20 0 BGADHN C[C@H](N[C@@H]1CS[C@H](C)C1)c1ccsc1 ZINC000086935888 388111621 /nfs/dbraw/zinc/11/16/21/388111621.db2.gz OHFLWCKQJXCOCD-YWVKMMECSA-N 0 3 227.398 3.293 20 0 BGADHN C[C@H](N[C@H]1CS[C@H](C)C1)c1ccsc1 ZINC000086935890 359891717 /nfs/dbraw/zinc/89/17/17/359891717.db2.gz OHFLWCKQJXCOCD-WCABBAIRSA-N 0 3 227.398 3.293 20 0 BGADHN C[C@@H]1C[C@H](NCc2ccc(Cl)s2)CS1 ZINC000086936104 135104172 /nfs/dbraw/zinc/10/41/72/135104172.db2.gz IZJATULCQULLBH-SFYZADRCSA-N 0 3 247.816 3.385 20 0 BGADHN C[C@H]1C[C@H](NCc2ccc(Cl)s2)CS1 ZINC000086936105 135104133 /nfs/dbraw/zinc/10/41/33/135104133.db2.gz IZJATULCQULLBH-YUMQZZPRSA-N 0 3 247.816 3.385 20 0 BGADHN C[C@@H]1C[C@@H](NCc2ccc(Cl)s2)CS1 ZINC000086936106 135104191 /nfs/dbraw/zinc/10/41/91/135104191.db2.gz IZJATULCQULLBH-HTQZYQBOSA-N 0 3 247.816 3.385 20 0 BGADHN C[C@H]1C[C@@H](NCc2ccc(Cl)s2)CS1 ZINC000086936107 135103887 /nfs/dbraw/zinc/10/38/87/135103887.db2.gz IZJATULCQULLBH-JGVFFNPUSA-N 0 3 247.816 3.385 20 0 BGADHN CC[C@H](N[C@H]1CS[C@@H](C)C1)c1nccs1 ZINC000086936136 487587071 /nfs/dbraw/zinc/58/70/71/487587071.db2.gz GMJVBMNFZQNJDR-AEJSXWLSSA-N 0 3 242.413 3.078 20 0 BGADHN CC[C@H](N[C@@H]1CS[C@@H](C)C1)c1nccs1 ZINC000086936138 487587627 /nfs/dbraw/zinc/58/76/27/487587627.db2.gz GMJVBMNFZQNJDR-GUBZILKMSA-N 0 3 242.413 3.078 20 0 BGADHN CC(C)[C@@H]1CCC[C@H](NCc2nccn2C)CC1 ZINC000086946820 388110961 /nfs/dbraw/zinc/11/09/61/388110961.db2.gz SRICYINQZSRUJB-KGLIPLIRSA-N 0 3 249.402 3.115 20 0 BGADHN CC(C)[C@H]1CCC[C@H](NCc2nccn2C)CC1 ZINC000086946822 135499906 /nfs/dbraw/zinc/49/99/06/135499906.db2.gz SRICYINQZSRUJB-KBPBESRZSA-N 0 3 249.402 3.115 20 0 BGADHN CC(C)[C@@H]1CCC[C@@H](NCc2nccn2C)CC1 ZINC000086946823 388111352 /nfs/dbraw/zinc/11/13/52/388111352.db2.gz SRICYINQZSRUJB-ZIAGYGMSSA-N 0 3 249.402 3.115 20 0 BGADHN CC(C)[C@H]1CCC[C@@H](NCc2nccn2C)CC1 ZINC000086946825 535186911 /nfs/dbraw/zinc/18/69/11/535186911.db2.gz SRICYINQZSRUJB-UONOGXRCSA-N 0 3 249.402 3.115 20 0 BGADHN CC(C)(C)[C@@H]1CCC[C@H](NCc2cc[nH]n2)CC1 ZINC000086957544 259415790 /nfs/dbraw/zinc/41/57/90/259415790.db2.gz JISBKIXJQDCLQW-OLZOCXBDSA-N 0 3 249.402 3.494 20 0 BGADHN CC(C)(C)[C@H]1CCC[C@H](NCc2cc[nH]n2)CC1 ZINC000086957546 385908289 /nfs/dbraw/zinc/90/82/89/385908289.db2.gz JISBKIXJQDCLQW-STQMWFEESA-N 0 3 249.402 3.494 20 0 BGADHN CC(C)(C)[C@@H]1CCC[C@@H](NCc2cc[nH]n2)CC1 ZINC000086957548 385909053 /nfs/dbraw/zinc/90/90/53/385909053.db2.gz JISBKIXJQDCLQW-CHWSQXEVSA-N 0 3 249.402 3.494 20 0 BGADHN CC(C)(C)[C@H]1CCC[C@@H](NCc2cc[nH]n2)CC1 ZINC000086957549 385908958 /nfs/dbraw/zinc/90/89/58/385908958.db2.gz JISBKIXJQDCLQW-QWHCGFSZSA-N 0 3 249.402 3.494 20 0 BGADHN CC(C)(C)[C@@H]1CCC[C@H](NCc2ncc[nH]2)CC1 ZINC000086958755 388111225 /nfs/dbraw/zinc/11/12/25/388111225.db2.gz UPLMVSCXNZXGOK-OLZOCXBDSA-N 0 3 249.402 3.494 20 0 BGADHN CC(C)(C)[C@H]1CCC[C@H](NCc2ncc[nH]2)CC1 ZINC000086958757 135499849 /nfs/dbraw/zinc/49/98/49/135499849.db2.gz UPLMVSCXNZXGOK-STQMWFEESA-N 0 3 249.402 3.494 20 0 BGADHN CC(C)(C)[C@@H]1CCC[C@@H](NCc2ncc[nH]2)CC1 ZINC000086958759 388111425 /nfs/dbraw/zinc/11/14/25/388111425.db2.gz UPLMVSCXNZXGOK-CHWSQXEVSA-N 0 3 249.402 3.494 20 0 BGADHN CC(C)(C)[C@H]1CCC[C@@H](NCc2ncc[nH]2)CC1 ZINC000086958761 388111067 /nfs/dbraw/zinc/11/10/67/388111067.db2.gz UPLMVSCXNZXGOK-QWHCGFSZSA-N 0 3 249.402 3.494 20 0 BGADHN Cc1c2ccccc2oc1[C@@H](C)NCC(C)(C)O ZINC000087009805 385063467 /nfs/dbraw/zinc/06/34/67/385063467.db2.gz VKTCAFQFEGMOPM-LLVKDONJSA-N 0 3 247.338 3.163 20 0 BGADHN Cc1c2ccccc2oc1[C@H](C)NCC(C)(C)O ZINC000087009807 385063804 /nfs/dbraw/zinc/06/38/04/385063804.db2.gz VKTCAFQFEGMOPM-NSHDSACASA-N 0 3 247.338 3.163 20 0 BGADHN CC[C@](C)(O)CN[C@@H](C)c1cc2ccccc2o1 ZINC000087012648 385064534 /nfs/dbraw/zinc/06/45/34/385064534.db2.gz IVZHDJWSEUHKRI-NHYWBVRUSA-N 0 3 247.338 3.244 20 0 BGADHN CC[C@@](C)(O)CN[C@@H](C)c1cc2ccccc2o1 ZINC000087012651 171184822 /nfs/dbraw/zinc/18/48/22/171184822.db2.gz IVZHDJWSEUHKRI-XHDPSFHLSA-N 0 3 247.338 3.244 20 0 BGADHN CC[C@](C)(O)CN[C@H](C)c1cc2ccccc2o1 ZINC000087012652 385064558 /nfs/dbraw/zinc/06/45/58/385064558.db2.gz IVZHDJWSEUHKRI-ABAIWWIYSA-N 0 3 247.338 3.244 20 0 BGADHN CC[C@@](C)(O)CN[C@H](C)c1cc2ccccc2o1 ZINC000087012653 171186616 /nfs/dbraw/zinc/18/66/16/171186616.db2.gz IVZHDJWSEUHKRI-IAQYHMDHSA-N 0 3 247.338 3.244 20 0 BGADHN CCC(O)(CC)CN[C@@H](C)c1ccccc1F ZINC000087014658 385067693 /nfs/dbraw/zinc/06/76/93/385067693.db2.gz NFWYYBIOJIUJSO-NSHDSACASA-N 0 3 239.334 3.027 20 0 BGADHN CCC(O)(CC)CN[C@H](C)c1ccccc1F ZINC000087014659 385066828 /nfs/dbraw/zinc/06/68/28/385066828.db2.gz NFWYYBIOJIUJSO-LLVKDONJSA-N 0 3 239.334 3.027 20 0 BGADHN CCC(O)(CC)CN[C@@H](C)c1cc(C)oc1C ZINC000087015563 135501007 /nfs/dbraw/zinc/50/10/07/135501007.db2.gz XLAHLXPDRIWVMW-NSHDSACASA-N 0 3 239.359 3.098 20 0 BGADHN CCC(O)(CC)CN[C@H](C)c1cc(C)oc1C ZINC000087015564 135105181 /nfs/dbraw/zinc/10/51/81/135105181.db2.gz XLAHLXPDRIWVMW-LLVKDONJSA-N 0 3 239.359 3.098 20 0 BGADHN Clc1ccc2c(c1)OCCC[C@@H]2NC1CC1 ZINC000087016047 359894976 /nfs/dbraw/zinc/89/49/76/359894976.db2.gz XIRVFOVYVKXSDX-LBPRGKRZSA-N 0 3 237.730 3.306 20 0 BGADHN Clc1ccc2c(c1)OCCC[C@H]2NC1CC1 ZINC000087016049 359895275 /nfs/dbraw/zinc/89/52/75/359895275.db2.gz XIRVFOVYVKXSDX-GFCCVEGCSA-N 0 3 237.730 3.306 20 0 BGADHN CCN[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000087016065 343634881 /nfs/dbraw/zinc/63/48/81/343634881.db2.gz WNGAIYOLSFSFBL-LLVKDONJSA-N 0 3 225.719 3.163 20 0 BGADHN CCN[C@H]1CCCOc2cc(Cl)ccc21 ZINC000087016067 343635084 /nfs/dbraw/zinc/63/50/84/343635084.db2.gz WNGAIYOLSFSFBL-NSHDSACASA-N 0 3 225.719 3.163 20 0 BGADHN Cc1cc(CNC2CC2)sc1Br ZINC000087018174 359894787 /nfs/dbraw/zinc/89/47/87/359894787.db2.gz PNMHZNAWEOGTDK-UHFFFAOYSA-N 0 3 246.173 3.071 20 0 BGADHN C[C@]1(CNCc2ccc(Cl)s2)CCCO1 ZINC000087234256 135114258 /nfs/dbraw/zinc/11/42/58/135114258.db2.gz QIKKXLOYNQWNCS-LLVKDONJSA-N 0 3 245.775 3.060 20 0 BGADHN C[C@@]1(CNCc2ccc(Cl)s2)CCCO1 ZINC000087234258 135114883 /nfs/dbraw/zinc/11/48/83/135114883.db2.gz QIKKXLOYNQWNCS-NSHDSACASA-N 0 3 245.775 3.060 20 0 BGADHN C[C@]1(CNCc2cc(Cl)cs2)CCCO1 ZINC000087234343 135113953 /nfs/dbraw/zinc/11/39/53/135113953.db2.gz UCWXNZORIFNBKR-LLVKDONJSA-N 0 3 245.775 3.060 20 0 BGADHN C[C@@]1(CNCc2cc(Cl)cs2)CCCO1 ZINC000087234345 135114730 /nfs/dbraw/zinc/11/47/30/135114730.db2.gz UCWXNZORIFNBKR-NSHDSACASA-N 0 3 245.775 3.060 20 0 BGADHN C[C@H](N[C@@H]1CC1(C)C)c1cc(F)cc(F)c1 ZINC000087282714 359905631 /nfs/dbraw/zinc/90/56/31/359905631.db2.gz FNZRXORRAXIZOM-QPUJVOFHSA-N 0 3 225.282 3.414 20 0 BGADHN C[C@@H](N[C@@H]1CC1(C)C)c1cc(F)cc(F)c1 ZINC000087282716 359905203 /nfs/dbraw/zinc/90/52/03/359905203.db2.gz FNZRXORRAXIZOM-PRHODGIISA-N 0 3 225.282 3.414 20 0 BGADHN C[C@H](N[C@H]1CC1(C)C)c1cc(F)cc(F)c1 ZINC000087282717 359905722 /nfs/dbraw/zinc/90/57/22/359905722.db2.gz FNZRXORRAXIZOM-UFBFGSQYSA-N 0 3 225.282 3.414 20 0 BGADHN C[C@@H](N[C@H]1CC1(C)C)c1cc(F)cc(F)c1 ZINC000087282718 135118239 /nfs/dbraw/zinc/11/82/39/135118239.db2.gz FNZRXORRAXIZOM-PELKAZGASA-N 0 3 225.282 3.414 20 0 BGADHN C[C@H](NC1CCC1)c1cc(F)cc(F)c1 ZINC000087282720 384757954 /nfs/dbraw/zinc/75/79/54/384757954.db2.gz RRXYDCZADINBJH-QMMMGPOBSA-N 0 3 211.255 3.168 20 0 BGADHN C[C@@H](NC1CCC1)c1cc(F)cc(F)c1 ZINC000087282721 384756183 /nfs/dbraw/zinc/75/61/83/384756183.db2.gz RRXYDCZADINBJH-MRVPVSSYSA-N 0 3 211.255 3.168 20 0 BGADHN CSCCCN[C@@H](C)c1cc(F)cc(F)c1 ZINC000087282743 135118227 /nfs/dbraw/zinc/11/82/27/135118227.db2.gz KOISGIMSGKWNLL-VIFPVBQESA-N 0 3 245.338 3.369 20 0 BGADHN CSCCCN[C@H](C)c1cc(F)cc(F)c1 ZINC000087282745 135117590 /nfs/dbraw/zinc/11/75/90/135117590.db2.gz KOISGIMSGKWNLL-SECBINFHSA-N 0 3 245.338 3.369 20 0 BGADHN CSCCN[C@H](C)c1ccc(C)c(F)c1 ZINC000087284296 135117223 /nfs/dbraw/zinc/11/72/23/135117223.db2.gz PBTFFAZBUZJKRA-SNVBAGLBSA-N 0 3 227.348 3.148 20 0 BGADHN CSCCN[C@@H](C)c1ccc(C)c(F)c1 ZINC000087284297 135116691 /nfs/dbraw/zinc/11/66/91/135116691.db2.gz PBTFFAZBUZJKRA-JTQLQIEISA-N 0 3 227.348 3.148 20 0 BGADHN C[C@H](NCCc1ccccc1)c1ccoc1 ZINC000087289464 384931138 /nfs/dbraw/zinc/93/11/38/384931138.db2.gz NNQJXIAMZRVYLH-LBPRGKRZSA-N 0 3 215.296 3.173 20 0 BGADHN C[C@@H](NCCc1ccccc1)c1ccoc1 ZINC000087289465 384933399 /nfs/dbraw/zinc/93/33/99/384933399.db2.gz NNQJXIAMZRVYLH-GFCCVEGCSA-N 0 3 215.296 3.173 20 0 BGADHN C[C@H](NCCc1cccs1)c1ccoc1 ZINC000087289502 384925593 /nfs/dbraw/zinc/92/55/93/384925593.db2.gz RDLXBSHRIZLTEM-JTQLQIEISA-N 0 3 221.325 3.234 20 0 BGADHN C[C@@H](NCCc1cccs1)c1ccoc1 ZINC000087289503 384925236 /nfs/dbraw/zinc/92/52/36/384925236.db2.gz RDLXBSHRIZLTEM-SNVBAGLBSA-N 0 3 221.325 3.234 20 0 BGADHN C[C@H](NCCc1ccsc1)c1ccoc1 ZINC000087290020 384938831 /nfs/dbraw/zinc/93/88/31/384938831.db2.gz JTUFKLQJQLWODA-JTQLQIEISA-N 0 3 221.325 3.234 20 0 BGADHN C[C@@H](NCCc1ccsc1)c1ccoc1 ZINC000087290021 384939482 /nfs/dbraw/zinc/93/94/82/384939482.db2.gz JTUFKLQJQLWODA-SNVBAGLBSA-N 0 3 221.325 3.234 20 0 BGADHN Cc1cscc1CN[C@@H](C)c1ccncc1 ZINC000087309403 135121641 /nfs/dbraw/zinc/12/16/41/135121641.db2.gz SUFPGQBYINXTHL-NSHDSACASA-N 0 3 232.352 3.302 20 0 BGADHN Cc1cscc1CN[C@H](C)c1ccncc1 ZINC000087309404 135122151 /nfs/dbraw/zinc/12/21/51/135122151.db2.gz SUFPGQBYINXTHL-LLVKDONJSA-N 0 3 232.352 3.302 20 0 BGADHN Cc1cscc1CNCc1ccsc1 ZINC000087309420 135121476 /nfs/dbraw/zinc/12/14/76/135121476.db2.gz LRSUZGNNJBVOCN-UHFFFAOYSA-N 0 3 223.366 3.408 20 0 BGADHN Cc1cscc1CNCc1ccc(O)cc1 ZINC000087309472 491083888 /nfs/dbraw/zinc/08/38/88/491083888.db2.gz KNONYTCWUTXXNL-UHFFFAOYSA-N 0 3 233.336 3.052 20 0 BGADHN Cc1cscc1CNCc1ccc(F)cc1 ZINC000087309478 135122104 /nfs/dbraw/zinc/12/21/04/135122104.db2.gz RNUFGZLBPNIZPF-UHFFFAOYSA-N 0 3 235.327 3.485 20 0 BGADHN Cc1cscc1CN[C@@H](C)c1cccnc1 ZINC000087309575 135122825 /nfs/dbraw/zinc/12/28/25/135122825.db2.gz FVVSZLGJHCITND-NSHDSACASA-N 0 3 232.352 3.302 20 0 BGADHN Cc1cscc1CN[C@H](C)c1cccnc1 ZINC000087309576 135122688 /nfs/dbraw/zinc/12/26/88/135122688.db2.gz FVVSZLGJHCITND-LLVKDONJSA-N 0 3 232.352 3.302 20 0 BGADHN Cc1cscc1CNCc1cccc(F)c1 ZINC000087309642 135122638 /nfs/dbraw/zinc/12/26/38/135122638.db2.gz JUEGWZCJMMAOBL-UHFFFAOYSA-N 0 3 235.327 3.485 20 0 BGADHN CCC1(CNCc2ccco2)CCCC1 ZINC000087316522 343643851 /nfs/dbraw/zinc/64/38/51/343643851.db2.gz IRQNCLUDMXOIGT-UHFFFAOYSA-N 0 3 207.317 3.340 20 0 BGADHN CCCN[C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000087342395 359907263 /nfs/dbraw/zinc/90/72/63/359907263.db2.gz ZKOGBHDOYKZFRK-GFCCVEGCSA-N 0 3 221.348 3.031 20 0 BGADHN CCCN[C@H](c1ncc[nH]1)C1CCCCC1 ZINC000087342397 535192128 /nfs/dbraw/zinc/19/21/28/535192128.db2.gz ZKOGBHDOYKZFRK-LBPRGKRZSA-N 0 3 221.348 3.031 20 0 BGADHN C[C@@H](CCCO)N[C@@H](C)c1ccccc1Cl ZINC000087358136 383827846 /nfs/dbraw/zinc/82/78/46/383827846.db2.gz SBAWBWAMTQLLLS-QWRGUYRKSA-N 0 3 241.762 3.152 20 0 BGADHN C[C@H](CCCO)N[C@@H](C)c1ccccc1Cl ZINC000087358137 383828323 /nfs/dbraw/zinc/82/83/23/383828323.db2.gz SBAWBWAMTQLLLS-MNOVXSKESA-N 0 3 241.762 3.152 20 0 BGADHN C[C@@H](N[C@@H](C)CCCO)c1ccccc1Cl ZINC000087358138 383828426 /nfs/dbraw/zinc/82/84/26/383828426.db2.gz SBAWBWAMTQLLLS-WDEREUQCSA-N 0 3 241.762 3.152 20 0 BGADHN C[C@H](CCCO)N[C@H](C)c1ccccc1Cl ZINC000087358139 383826650 /nfs/dbraw/zinc/82/66/50/383826650.db2.gz SBAWBWAMTQLLLS-GHMZBOCLSA-N 0 3 241.762 3.152 20 0 BGADHN CCC(C)(C)NCc1nc(C)c(C)s1 ZINC000087375358 537857224 /nfs/dbraw/zinc/85/72/24/537857224.db2.gz APAYLQUUVQDIGH-UHFFFAOYSA-N 0 3 212.362 3.038 20 0 BGADHN CC[C@@H](C)NCc1nc(C(C)(C)C)cs1 ZINC000087375362 384778896 /nfs/dbraw/zinc/77/88/96/384778896.db2.gz WECUPCHVYFGNLZ-SECBINFHSA-N 0 3 226.389 3.329 20 0 BGADHN CC[C@H](C)NCc1nc(C(C)(C)C)cs1 ZINC000087375365 171343617 /nfs/dbraw/zinc/34/36/17/171343617.db2.gz WECUPCHVYFGNLZ-VIFPVBQESA-N 0 3 226.389 3.329 20 0 BGADHN CCC(CC)NCc1nc(C)c(C)s1 ZINC000087375366 343646050 /nfs/dbraw/zinc/64/60/50/343646050.db2.gz JIRCBYMGNXNDPD-UHFFFAOYSA-N 0 3 212.362 3.038 20 0 BGADHN CCCCNCc1nc(C(C)(C)C)cs1 ZINC000087375407 643656490 /nfs/dbraw/zinc/65/64/90/643656490.db2.gz DHDMXKSHCIIYTA-UHFFFAOYSA-N 0 3 226.389 3.330 20 0 BGADHN Cc1nc(CN[C@@H]2CCCC[C@@H]2C)sc1C ZINC000087375416 135127331 /nfs/dbraw/zinc/12/73/31/135127331.db2.gz ZJSRDKZXBUNJLH-JOYOIKCWSA-N 0 3 238.400 3.428 20 0 BGADHN Cc1nc(CN[C@H]2CCCC[C@@H]2C)sc1C ZINC000087375419 135127203 /nfs/dbraw/zinc/12/72/03/135127203.db2.gz ZJSRDKZXBUNJLH-CABZTGNLSA-N 0 3 238.400 3.428 20 0 BGADHN Cc1nc(CN[C@@H]2CCCC[C@H]2C)sc1C ZINC000087375422 135127268 /nfs/dbraw/zinc/12/72/68/135127268.db2.gz ZJSRDKZXBUNJLH-BXKDBHETSA-N 0 3 238.400 3.428 20 0 BGADHN Cc1nc(CN[C@H]2CCCC[C@H]2C)sc1C ZINC000087375437 135127320 /nfs/dbraw/zinc/12/73/20/135127320.db2.gz ZJSRDKZXBUNJLH-SKDRFNHKSA-N 0 3 238.400 3.428 20 0 BGADHN CC(C)(C)c1csc(CNCC2CCC2)n1 ZINC000087375479 644491202 /nfs/dbraw/zinc/49/12/02/644491202.db2.gz KYBCSMDDIZYVQE-UHFFFAOYSA-N 0 3 238.400 3.330 20 0 BGADHN Cc1nc(CNCC2CCCCC2)sc1C ZINC000087375496 359909675 /nfs/dbraw/zinc/90/96/75/359909675.db2.gz SPTZOPIFMYKJOK-UHFFFAOYSA-N 0 3 238.400 3.430 20 0 BGADHN Cc1nc(CN[C@@H](C)CC(C)C)sc1C ZINC000087375498 343645994 /nfs/dbraw/zinc/64/59/94/343645994.db2.gz TTXRSVXRRMYJDJ-VIFPVBQESA-N 0 3 226.389 3.284 20 0 BGADHN Cc1nc(CN[C@H](C)CC(C)C)sc1C ZINC000087375501 343645799 /nfs/dbraw/zinc/64/57/99/343645799.db2.gz TTXRSVXRRMYJDJ-SECBINFHSA-N 0 3 226.389 3.284 20 0 BGADHN Cc1nc(CNCCC2CCCC2)sc1C ZINC000087375644 644492634 /nfs/dbraw/zinc/49/26/34/644492634.db2.gz JNFBVNVTWWTLBW-UHFFFAOYSA-N 0 3 238.400 3.430 20 0 BGADHN Cc1nc(CNCCCC(C)C)sc1C ZINC000087375674 135127322 /nfs/dbraw/zinc/12/73/22/135127322.db2.gz SMEXGYVOBYLIKZ-UHFFFAOYSA-N 0 3 226.389 3.286 20 0 BGADHN CC[C@@H](C)[C@@H](C)NCc1nc(C)c(C)s1 ZINC000087375720 384778160 /nfs/dbraw/zinc/77/81/60/384778160.db2.gz BPUCLYCFCBJRBN-RKDXNWHRSA-N 0 3 226.389 3.284 20 0 BGADHN CC[C@H](C)[C@@H](C)NCc1nc(C)c(C)s1 ZINC000087375723 171365789 /nfs/dbraw/zinc/36/57/89/171365789.db2.gz BPUCLYCFCBJRBN-DTWKUNHWSA-N 0 3 226.389 3.284 20 0 BGADHN CC[C@@H](C)[C@H](C)NCc1nc(C)c(C)s1 ZINC000087375725 384780215 /nfs/dbraw/zinc/78/02/15/384780215.db2.gz BPUCLYCFCBJRBN-BDAKNGLRSA-N 0 3 226.389 3.284 20 0 BGADHN CC[C@H](C)[C@H](C)NCc1nc(C)c(C)s1 ZINC000087375728 171389927 /nfs/dbraw/zinc/38/99/27/171389927.db2.gz BPUCLYCFCBJRBN-IUCAKERBSA-N 0 3 226.389 3.284 20 0 BGADHN CC[C@H](NCc1nc(C)c(C)s1)C(C)C ZINC000087375750 343645855 /nfs/dbraw/zinc/64/58/55/343645855.db2.gz OEKKZPVTIUYRCF-NSHDSACASA-N 0 3 226.389 3.284 20 0 BGADHN CC[C@@H](NCc1nc(C)c(C)s1)C(C)C ZINC000087375753 343646001 /nfs/dbraw/zinc/64/60/01/343646001.db2.gz OEKKZPVTIUYRCF-LLVKDONJSA-N 0 3 226.389 3.284 20 0 BGADHN Cc1nc(CNC[C@H]2CC=CCC2)sc1C ZINC000087375839 135506689 /nfs/dbraw/zinc/50/66/89/135506689.db2.gz XJMRFJMYBBUUDD-LBPRGKRZSA-N 0 3 236.384 3.206 20 0 BGADHN Cc1nc(CNC[C@@H]2CC=CCC2)sc1C ZINC000087375840 359909245 /nfs/dbraw/zinc/90/92/45/359909245.db2.gz XJMRFJMYBBUUDD-GFCCVEGCSA-N 0 3 236.384 3.206 20 0 BGADHN CCCC[C@@H](C)NCc1nc(C)c(C)s1 ZINC000087375886 343645808 /nfs/dbraw/zinc/64/58/08/343645808.db2.gz CRJHBMFFSUIZJT-SECBINFHSA-N 0 3 226.389 3.428 20 0 BGADHN CCCC[C@H](C)NCc1nc(C)c(C)s1 ZINC000087375888 343646601 /nfs/dbraw/zinc/64/66/01/343646601.db2.gz CRJHBMFFSUIZJT-VIFPVBQESA-N 0 3 226.389 3.428 20 0 BGADHN Cc1nc(CN[C@@H]2CCC[C@@H]2C)sc1C ZINC000087375975 384779407 /nfs/dbraw/zinc/77/94/07/384779407.db2.gz YKJRIUBIYKIHQC-GZMMTYOYSA-N 0 3 224.373 3.038 20 0 BGADHN Cc1nc(CN[C@H]2CCC[C@@H]2C)sc1C ZINC000087375979 384778134 /nfs/dbraw/zinc/77/81/34/384778134.db2.gz YKJRIUBIYKIHQC-KWQFWETISA-N 0 3 224.373 3.038 20 0 BGADHN Cc1nc(CN[C@@H]2CCC[C@H]2C)sc1C ZINC000087375980 384780034 /nfs/dbraw/zinc/78/00/34/384780034.db2.gz YKJRIUBIYKIHQC-LDYMZIIASA-N 0 3 224.373 3.038 20 0 BGADHN Cc1nc(CN[C@H]2CCC[C@H]2C)sc1C ZINC000087375984 384779867 /nfs/dbraw/zinc/77/98/67/384779867.db2.gz YKJRIUBIYKIHQC-KCJUWKMLSA-N 0 3 224.373 3.038 20 0 BGADHN Cc1nc(CN[C@@H](C)CC2CC2)sc1C ZINC000087376045 343646439 /nfs/dbraw/zinc/64/64/39/343646439.db2.gz UQKOVIKWDPOJGX-QMMMGPOBSA-N 0 3 224.373 3.038 20 0 BGADHN Cc1nc(CN[C@H](C)CC2CC2)sc1C ZINC000087376047 135506754 /nfs/dbraw/zinc/50/67/54/135506754.db2.gz UQKOVIKWDPOJGX-MRVPVSSYSA-N 0 3 224.373 3.038 20 0 BGADHN Cc1nc(CN[C@@H](C)C2CCCC2)sc1C ZINC000087376071 359909640 /nfs/dbraw/zinc/90/96/40/359909640.db2.gz MDUOPEZITSJEHP-JTQLQIEISA-N 0 3 238.400 3.428 20 0 BGADHN Cc1nc(CN[C@H](C)C2CCCC2)sc1C ZINC000087376073 359909269 /nfs/dbraw/zinc/90/92/69/359909269.db2.gz MDUOPEZITSJEHP-SNVBAGLBSA-N 0 3 238.400 3.428 20 0 BGADHN CCCCCCNCc1nc(C)c(C)s1 ZINC000087376077 644492642 /nfs/dbraw/zinc/49/26/42/644492642.db2.gz NHRSIKZNWJYCTC-UHFFFAOYSA-N 0 3 226.389 3.430 20 0 BGADHN CC(C)(C)c1csc(CNCCC2CC2)n1 ZINC000087376263 644493069 /nfs/dbraw/zinc/49/30/69/644493069.db2.gz PUTHZZFQEMRHPC-UHFFFAOYSA-N 0 3 238.400 3.330 20 0 BGADHN Cc1csc(CNCC2C(C)(C)C2(C)C)n1 ZINC000087376416 359909832 /nfs/dbraw/zinc/90/98/32/359909832.db2.gz KMXCKMIOQJUZCA-UHFFFAOYSA-N 0 3 238.400 3.223 20 0 BGADHN Cc1nc(CN[C@@H]2CCCC2(C)C)sc1C ZINC000087376433 359909384 /nfs/dbraw/zinc/90/93/84/359909384.db2.gz PDEGMAHRZBNMOI-LLVKDONJSA-N 0 3 238.400 3.428 20 0 BGADHN Cc1nc(CN[C@H]2CCCC2(C)C)sc1C ZINC000087376437 359909370 /nfs/dbraw/zinc/90/93/70/359909370.db2.gz PDEGMAHRZBNMOI-NSHDSACASA-N 0 3 238.400 3.428 20 0 BGADHN CCCCCC(C)(C)CNCc1ncc[nH]1 ZINC000087399010 640884291 /nfs/dbraw/zinc/88/42/91/640884291.db2.gz BMAVMFUPWKMHCK-UHFFFAOYSA-N 0 3 223.364 3.106 20 0 BGADHN CCCCCC(C)(C)CNCc1cc[nH]n1 ZINC000087399040 640884744 /nfs/dbraw/zinc/88/47/44/640884744.db2.gz JBCMWESFYOFYLM-UHFFFAOYSA-N 0 3 223.364 3.106 20 0 BGADHN Cc1nn(C)cc1[C@@H](C)N[C@@H](C)c1ccccc1 ZINC000087406364 180379182 /nfs/dbraw/zinc/37/91/82/180379182.db2.gz NLBDEDVEDUMKIS-NWDGAFQWSA-N 0 3 243.354 3.140 20 0 BGADHN Cc1nn(C)cc1[C@H](C)N[C@@H](C)c1ccccc1 ZINC000087406366 180383226 /nfs/dbraw/zinc/38/32/26/180383226.db2.gz NLBDEDVEDUMKIS-RYUDHWBXSA-N 0 3 243.354 3.140 20 0 BGADHN Cc1nn(C)cc1[C@@H](C)N[C@H](C)c1ccccc1 ZINC000087406367 180379396 /nfs/dbraw/zinc/37/93/96/180379396.db2.gz NLBDEDVEDUMKIS-VXGBXAGGSA-N 0 3 243.354 3.140 20 0 BGADHN Cc1nn(C)cc1[C@H](C)N[C@H](C)c1ccccc1 ZINC000087406369 180382853 /nfs/dbraw/zinc/38/28/53/180382853.db2.gz NLBDEDVEDUMKIS-NEPJUHHUSA-N 0 3 243.354 3.140 20 0 BGADHN Cc1nn(C)cc1[C@@H](C)N[C@@H](C)c1cccs1 ZINC000087407117 180379093 /nfs/dbraw/zinc/37/90/93/180379093.db2.gz LNZJIANNEKTBHR-KOLCDFICSA-N 0 3 249.383 3.202 20 0 BGADHN Cc1nn(C)cc1[C@H](C)N[C@@H](C)c1cccs1 ZINC000087407118 180382105 /nfs/dbraw/zinc/38/21/05/180382105.db2.gz LNZJIANNEKTBHR-ONGXEEELSA-N 0 3 249.383 3.202 20 0 BGADHN Cc1nn(C)cc1[C@@H](C)N[C@H](C)c1cccs1 ZINC000087407120 180380088 /nfs/dbraw/zinc/38/00/88/180380088.db2.gz LNZJIANNEKTBHR-MWLCHTKSSA-N 0 3 249.383 3.202 20 0 BGADHN Cc1nn(C)cc1[C@H](C)N[C@H](C)c1cccs1 ZINC000087407122 180382166 /nfs/dbraw/zinc/38/21/66/180382166.db2.gz LNZJIANNEKTBHR-GXSJLCMTSA-N 0 3 249.383 3.202 20 0 BGADHN C[C@H](NC[C@@H]1CCCS1)c1ccccc1F ZINC000087473014 259316470 /nfs/dbraw/zinc/31/64/70/259316470.db2.gz WFGIOWYUNWDYKL-QWRGUYRKSA-N 0 3 239.359 3.372 20 0 BGADHN C[C@@H](NC[C@@H]1CCCS1)c1ccccc1F ZINC000087473015 259316462 /nfs/dbraw/zinc/31/64/62/259316462.db2.gz WFGIOWYUNWDYKL-MNOVXSKESA-N 0 3 239.359 3.372 20 0 BGADHN C[C@H](NC[C@H]1CCCS1)c1ccccc1F ZINC000087473016 259316666 /nfs/dbraw/zinc/31/66/66/259316666.db2.gz WFGIOWYUNWDYKL-WDEREUQCSA-N 0 3 239.359 3.372 20 0 BGADHN C[C@@H](NC[C@H]1CCCS1)c1ccccc1F ZINC000087473017 259316437 /nfs/dbraw/zinc/31/64/37/259316437.db2.gz WFGIOWYUNWDYKL-GHMZBOCLSA-N 0 3 239.359 3.372 20 0 BGADHN Clc1ccccc1CNC[C@@H]1CCCS1 ZINC000087473134 384148434 /nfs/dbraw/zinc/14/84/34/384148434.db2.gz WQSVUMZQPNHEKZ-NSHDSACASA-N 0 3 241.787 3.325 20 0 BGADHN Clc1ccccc1CNC[C@H]1CCCS1 ZINC000087473135 384149045 /nfs/dbraw/zinc/14/90/45/384149045.db2.gz WQSVUMZQPNHEKZ-LLVKDONJSA-N 0 3 241.787 3.325 20 0 BGADHN Clc1ccc(CNC[C@@H]2CCCS2)s1 ZINC000087473154 384149772 /nfs/dbraw/zinc/14/97/72/384149772.db2.gz AULCORBNPHLJPT-QMMMGPOBSA-N 0 3 247.816 3.387 20 0 BGADHN Clc1ccc(CNC[C@H]2CCCS2)s1 ZINC000087473155 384149562 /nfs/dbraw/zinc/14/95/62/384149562.db2.gz AULCORBNPHLJPT-MRVPVSSYSA-N 0 3 247.816 3.387 20 0 BGADHN Cc1cc(CNCCC2CCCCC2)on1 ZINC000087473383 135143146 /nfs/dbraw/zinc/14/31/46/135143146.db2.gz GHYFORAKWJLZHT-UHFFFAOYSA-N 0 3 222.332 3.043 20 0 BGADHN C[C@]1(CNCc2ccc(Cl)o2)CCCS1 ZINC000087620357 135159885 /nfs/dbraw/zinc/15/98/85/135159885.db2.gz NIOKERFMMRFYKH-LLVKDONJSA-N 0 3 245.775 3.308 20 0 BGADHN C[C@@]1(CNCc2ccc(Cl)o2)CCCS1 ZINC000087620360 135159787 /nfs/dbraw/zinc/15/97/87/135159787.db2.gz NIOKERFMMRFYKH-NSHDSACASA-N 0 3 245.775 3.308 20 0 BGADHN C[C@]1(CNCc2ccccc2F)CCCS1 ZINC000087620511 383857311 /nfs/dbraw/zinc/85/73/11/383857311.db2.gz ANKZJWOYYAHJBK-CYBMUJFWSA-N 0 3 239.359 3.201 20 0 BGADHN C[C@@]1(CNCc2ccccc2F)CCCS1 ZINC000087620513 383856206 /nfs/dbraw/zinc/85/62/06/383856206.db2.gz ANKZJWOYYAHJBK-ZDUSSCGKSA-N 0 3 239.359 3.201 20 0 BGADHN Cc1ccc([C@@H](C)NC[C@@H]2CCCS2)o1 ZINC000087668006 136282206 /nfs/dbraw/zinc/28/22/06/136282206.db2.gz QCCDVVMRVCQMSL-MNOVXSKESA-N 0 3 225.357 3.134 20 0 BGADHN Cc1ccc([C@H](C)NC[C@@H]2CCCS2)o1 ZINC000087668007 136282189 /nfs/dbraw/zinc/28/21/89/136282189.db2.gz QCCDVVMRVCQMSL-QWRGUYRKSA-N 0 3 225.357 3.134 20 0 BGADHN Cc1ccc([C@@H](C)NC[C@H]2CCCS2)o1 ZINC000087668008 136282191 /nfs/dbraw/zinc/28/21/91/136282191.db2.gz QCCDVVMRVCQMSL-GHMZBOCLSA-N 0 3 225.357 3.134 20 0 BGADHN Cc1ccc([C@H](C)NC[C@H]2CCCS2)o1 ZINC000087668009 136282202 /nfs/dbraw/zinc/28/22/02/136282202.db2.gz QCCDVVMRVCQMSL-WDEREUQCSA-N 0 3 225.357 3.134 20 0 BGADHN Cc1cc([C@@H](C)NC[C@@H]2CCCS2)c(C)o1 ZINC000087668305 135163480 /nfs/dbraw/zinc/16/34/80/135163480.db2.gz LWHJGMBPWMUOOY-PWSUYJOCSA-N 0 3 239.384 3.443 20 0 BGADHN Cc1cc([C@H](C)NC[C@@H]2CCCS2)c(C)o1 ZINC000087668306 135163347 /nfs/dbraw/zinc/16/33/47/135163347.db2.gz LWHJGMBPWMUOOY-JQWIXIFHSA-N 0 3 239.384 3.443 20 0 BGADHN Cc1cc([C@@H](C)NC[C@H]2CCCS2)c(C)o1 ZINC000087668307 135163270 /nfs/dbraw/zinc/16/32/70/135163270.db2.gz LWHJGMBPWMUOOY-ZYHUDNBSSA-N 0 3 239.384 3.443 20 0 BGADHN Cc1cc([C@H](C)NC[C@H]2CCCS2)c(C)o1 ZINC000087668308 135163500 /nfs/dbraw/zinc/16/35/00/135163500.db2.gz LWHJGMBPWMUOOY-CMPLNLGQSA-N 0 3 239.384 3.443 20 0 BGADHN C[C@H](NC[C@@H]1CCCCS1)c1ccco1 ZINC000087682702 343657197 /nfs/dbraw/zinc/65/71/97/343657197.db2.gz HSNDDIMWIBLJPA-QWRGUYRKSA-N 0 3 225.357 3.216 20 0 BGADHN C[C@@H](NC[C@@H]1CCCCS1)c1ccco1 ZINC000087682704 343657071 /nfs/dbraw/zinc/65/70/71/343657071.db2.gz HSNDDIMWIBLJPA-MNOVXSKESA-N 0 3 225.357 3.216 20 0 BGADHN C[C@H](NC[C@H]1CCCCS1)c1ccco1 ZINC000087682707 135164708 /nfs/dbraw/zinc/16/47/08/135164708.db2.gz HSNDDIMWIBLJPA-WDEREUQCSA-N 0 3 225.357 3.216 20 0 BGADHN C[C@@H](NC[C@H]1CCCCS1)c1ccco1 ZINC000087682708 135164692 /nfs/dbraw/zinc/16/46/92/135164692.db2.gz HSNDDIMWIBLJPA-GHMZBOCLSA-N 0 3 225.357 3.216 20 0 BGADHN C[C@H](NC[C@@H]1CCCCS1)c1ccoc1 ZINC000087682916 384825140 /nfs/dbraw/zinc/82/51/40/384825140.db2.gz WELHZLHNIWKFRP-JQWIXIFHSA-N 0 3 225.357 3.216 20 0 BGADHN C[C@@H](NC[C@@H]1CCCCS1)c1ccoc1 ZINC000087682918 384826791 /nfs/dbraw/zinc/82/67/91/384826791.db2.gz WELHZLHNIWKFRP-PWSUYJOCSA-N 0 3 225.357 3.216 20 0 BGADHN C[C@H](NC[C@H]1CCCCS1)c1ccoc1 ZINC000087682921 384981457 /nfs/dbraw/zinc/98/14/57/384981457.db2.gz WELHZLHNIWKFRP-CMPLNLGQSA-N 0 3 225.357 3.216 20 0 BGADHN C[C@@H](NC[C@H]1CCCCS1)c1ccoc1 ZINC000087682922 384827568 /nfs/dbraw/zinc/82/75/68/384827568.db2.gz WELHZLHNIWKFRP-ZYHUDNBSSA-N 0 3 225.357 3.216 20 0 BGADHN Clc1ccc(CNC[C@@H]2CCCCS2)o1 ZINC000087683037 135164674 /nfs/dbraw/zinc/16/46/74/135164674.db2.gz RAKSAMYCLWFWDS-JTQLQIEISA-N 0 3 245.775 3.308 20 0 BGADHN Clc1ccc(CNC[C@H]2CCCCS2)o1 ZINC000087683039 135164136 /nfs/dbraw/zinc/16/41/36/135164136.db2.gz RAKSAMYCLWFWDS-SNVBAGLBSA-N 0 3 245.775 3.308 20 0 BGADHN Fc1ccccc1CNC[C@@H]1CCCCS1 ZINC000087683609 181013573 /nfs/dbraw/zinc/01/35/73/181013573.db2.gz PPERCJNHMSFBPL-LBPRGKRZSA-N 0 3 239.359 3.201 20 0 BGADHN Fc1ccccc1CNC[C@H]1CCCCS1 ZINC000087683612 181013227 /nfs/dbraw/zinc/01/32/27/181013227.db2.gz PPERCJNHMSFBPL-GFCCVEGCSA-N 0 3 239.359 3.201 20 0 BGADHN CCc1ccc(CNC[C@@H]2CCCCS2)o1 ZINC000087683662 386759484 /nfs/dbraw/zinc/75/94/84/386759484.db2.gz UJFOMOHYQOEEDP-ZDUSSCGKSA-N 0 3 239.384 3.217 20 0 BGADHN CCc1ccc(CNC[C@H]2CCCCS2)o1 ZINC000087683663 386759735 /nfs/dbraw/zinc/75/97/35/386759735.db2.gz UJFOMOHYQOEEDP-CYBMUJFWSA-N 0 3 239.384 3.217 20 0 BGADHN C[C@H](NC[C@@H]1CCCCS1)c1ccccn1 ZINC000087683734 359924575 /nfs/dbraw/zinc/92/45/75/359924575.db2.gz VIMGZNGKXHKFSW-RYUDHWBXSA-N 0 3 236.384 3.018 20 0 BGADHN C[C@@H](NC[C@@H]1CCCCS1)c1ccccn1 ZINC000087683737 359924428 /nfs/dbraw/zinc/92/44/28/359924428.db2.gz VIMGZNGKXHKFSW-NEPJUHHUSA-N 0 3 236.384 3.018 20 0 BGADHN C[C@H](NC[C@H]1CCCCS1)c1ccccn1 ZINC000087683739 359924561 /nfs/dbraw/zinc/92/45/61/359924561.db2.gz VIMGZNGKXHKFSW-NWDGAFQWSA-N 0 3 236.384 3.018 20 0 BGADHN C[C@@H](NC[C@H]1CCCCS1)c1ccccn1 ZINC000087683741 359924051 /nfs/dbraw/zinc/92/40/51/359924051.db2.gz VIMGZNGKXHKFSW-VXGBXAGGSA-N 0 3 236.384 3.018 20 0 BGADHN C[C@H](NC[C@@H]1CCCCS1)c1cccnc1 ZINC000087683750 359924116 /nfs/dbraw/zinc/92/41/16/359924116.db2.gz UZGSEDVHUBRNOQ-AAEUAGOBSA-N 0 3 236.384 3.018 20 0 BGADHN C[C@@H](NC[C@@H]1CCCCS1)c1cccnc1 ZINC000087683752 359924151 /nfs/dbraw/zinc/92/41/51/359924151.db2.gz UZGSEDVHUBRNOQ-YPMHNXCESA-N 0 3 236.384 3.018 20 0 BGADHN C[C@H](NC[C@H]1CCCCS1)c1cccnc1 ZINC000087683754 359924191 /nfs/dbraw/zinc/92/41/91/359924191.db2.gz UZGSEDVHUBRNOQ-WCQYABFASA-N 0 3 236.384 3.018 20 0 BGADHN C[C@@H](NC[C@H]1CCCCS1)c1cccnc1 ZINC000087683755 359924124 /nfs/dbraw/zinc/92/41/24/359924124.db2.gz UZGSEDVHUBRNOQ-DGCLKSJQSA-N 0 3 236.384 3.018 20 0 BGADHN CCO[C@@H]1C[C@H](N[C@@H](C)c2ccco2)C12CCC2 ZINC000087709403 383859969 /nfs/dbraw/zinc/85/99/69/383859969.db2.gz HTEYOTUTLBWJDO-FPMFFAJLSA-N 0 3 249.354 3.278 20 0 BGADHN CCO[C@@H]1C[C@@H](N[C@@H](C)c2ccco2)C12CCC2 ZINC000087709405 383860021 /nfs/dbraw/zinc/86/00/21/383860021.db2.gz HTEYOTUTLBWJDO-IACUBPJLSA-N 0 3 249.354 3.278 20 0 BGADHN CCO[C@@H]1C[C@H](NCc2ccc(C)o2)C12CCC2 ZINC000087710893 383862453 /nfs/dbraw/zinc/86/24/53/383862453.db2.gz XSYTUQRUHVMAIW-UONOGXRCSA-N 0 3 249.354 3.025 20 0 BGADHN CCO[C@H]1C[C@H](NCc2ccc(C)o2)C12CCC2 ZINC000087710894 383862867 /nfs/dbraw/zinc/86/28/67/383862867.db2.gz XSYTUQRUHVMAIW-KBPBESRZSA-N 0 3 249.354 3.025 20 0 BGADHN CCO[C@@H]1C[C@@H](NCc2ccc(C)o2)C12CCC2 ZINC000087710895 383861302 /nfs/dbraw/zinc/86/13/02/383861302.db2.gz XSYTUQRUHVMAIW-ZIAGYGMSSA-N 0 3 249.354 3.025 20 0 BGADHN CCO[C@H]1C[C@@H](NCc2ccc(C)o2)C12CCC2 ZINC000087710896 383862617 /nfs/dbraw/zinc/86/26/17/383862617.db2.gz XSYTUQRUHVMAIW-KGLIPLIRSA-N 0 3 249.354 3.025 20 0 BGADHN CC(C)(C)NCc1sccc1Cl ZINC000087721092 410088676 /nfs/dbraw/zinc/08/86/76/410088676.db2.gz PQPSXABEATUVKB-UHFFFAOYSA-N 0 3 203.738 3.290 20 0 BGADHN CC(C)CNCc1sccc1Cl ZINC000087721094 167009218 /nfs/dbraw/zinc/00/92/18/167009218.db2.gz KSWMTRDGXRIQNQ-UHFFFAOYSA-N 0 3 203.738 3.147 20 0 BGADHN CCCCNCc1sccc1Cl ZINC000087721095 384838930 /nfs/dbraw/zinc/83/89/30/384838930.db2.gz QVCSBOFDWXWEQQ-UHFFFAOYSA-N 0 3 203.738 3.291 20 0 BGADHN Clc1ccsc1CNC1CCCC1 ZINC000087721097 410089283 /nfs/dbraw/zinc/08/92/83/410089283.db2.gz XAQHGLLGPXHHOJ-UHFFFAOYSA-N 0 3 215.749 3.434 20 0 BGADHN CC[C@@H](C)NCc1sccc1Cl ZINC000087721121 410089103 /nfs/dbraw/zinc/08/91/03/410089103.db2.gz LWRYWIWUCBHQFD-SSDOTTSWSA-N 0 3 203.738 3.290 20 0 BGADHN CC[C@H](C)NCc1sccc1Cl ZINC000087721123 171344514 /nfs/dbraw/zinc/34/45/14/171344514.db2.gz LWRYWIWUCBHQFD-ZETCQYMHSA-N 0 3 203.738 3.290 20 0 BGADHN Cc1csc(CN[C@@H]2CCC(C)(C)C2)n1 ZINC000087771222 343659990 /nfs/dbraw/zinc/65/99/90/343659990.db2.gz FFQLDZNTHSWDAE-SNVBAGLBSA-N 0 3 224.373 3.120 20 0 BGADHN Cc1csc(CN[C@H]2CCC(C)(C)C2)n1 ZINC000087771225 135511973 /nfs/dbraw/zinc/51/19/73/135511973.db2.gz FFQLDZNTHSWDAE-JTQLQIEISA-N 0 3 224.373 3.120 20 0 BGADHN Cc1nc(CN[C@@H]2CCC(C)(C)C2)cs1 ZINC000087771287 135167438 /nfs/dbraw/zinc/16/74/38/135167438.db2.gz CBLCELOLADOOQL-SNVBAGLBSA-N 0 3 224.373 3.120 20 0 BGADHN Cc1nc(CN[C@H]2CCC(C)(C)C2)cs1 ZINC000087771289 135167095 /nfs/dbraw/zinc/16/70/95/135167095.db2.gz CBLCELOLADOOQL-JTQLQIEISA-N 0 3 224.373 3.120 20 0 BGADHN Cc1ccc(CN[C@@H]2CCC(C)(C)C2)o1 ZINC000087771662 135167265 /nfs/dbraw/zinc/16/72/65/135167265.db2.gz JOINKWCBQWITBV-LLVKDONJSA-N 0 3 207.317 3.256 20 0 BGADHN Cc1ccc(CN[C@H]2CCC(C)(C)C2)o1 ZINC000087771664 135167501 /nfs/dbraw/zinc/16/75/01/135167501.db2.gz JOINKWCBQWITBV-NSHDSACASA-N 0 3 207.317 3.256 20 0 BGADHN C[C@H](N[C@@H]1CCC(C)(C)C1)c1nccs1 ZINC000087771982 343660017 /nfs/dbraw/zinc/66/00/17/343660017.db2.gz OEZNDFSLHBUNIW-VHSXEESVSA-N 0 3 224.373 3.372 20 0 BGADHN C[C@@H](N[C@@H]1CCC(C)(C)C1)c1nccs1 ZINC000087771984 343660063 /nfs/dbraw/zinc/66/00/63/343660063.db2.gz OEZNDFSLHBUNIW-NXEZZACHSA-N 0 3 224.373 3.372 20 0 BGADHN C[C@H](N[C@H]1CCC(C)(C)C1)c1nccs1 ZINC000087771986 343660007 /nfs/dbraw/zinc/66/00/07/343660007.db2.gz OEZNDFSLHBUNIW-UWVGGRQHSA-N 0 3 224.373 3.372 20 0 BGADHN C[C@@H](N[C@H]1CCC(C)(C)C1)c1nccs1 ZINC000087771988 343660199 /nfs/dbraw/zinc/66/01/99/343660199.db2.gz OEZNDFSLHBUNIW-ZJUUUORDSA-N 0 3 224.373 3.372 20 0 BGADHN CC1(C)C[C@@H]1NCc1coc2ccccc12 ZINC000087780778 359927344 /nfs/dbraw/zinc/92/73/44/359927344.db2.gz SJIPZNVUBTVRJB-ZDUSSCGKSA-N 0 3 215.296 3.321 20 0 BGADHN CC1(C)C[C@H]1NCc1coc2ccccc12 ZINC000087780780 359927807 /nfs/dbraw/zinc/92/78/07/359927807.db2.gz SJIPZNVUBTVRJB-CYBMUJFWSA-N 0 3 215.296 3.321 20 0 BGADHN CCc1ccc(CNC[C@]2(C)CCCS2)o1 ZINC000087781879 398072001 /nfs/dbraw/zinc/07/20/01/398072001.db2.gz ZGQLWSJTTYXOCR-ZDUSSCGKSA-N 0 3 239.384 3.217 20 0 BGADHN CCc1ccc(CNC[C@@]2(C)CCCS2)o1 ZINC000087781881 398072018 /nfs/dbraw/zinc/07/20/18/398072018.db2.gz ZGQLWSJTTYXOCR-CYBMUJFWSA-N 0 3 239.384 3.217 20 0 BGADHN Cc1ccc(CN[C@@H](C)CCC(C)C)nc1 ZINC000087782072 398071939 /nfs/dbraw/zinc/07/19/39/398071939.db2.gz CKXCFTBAVUXHPD-ZDUSSCGKSA-N 0 3 220.360 3.304 20 0 BGADHN Cc1ccc(CN[C@H](C)CCC(C)C)nc1 ZINC000087782075 398071921 /nfs/dbraw/zinc/07/19/21/398071921.db2.gz CKXCFTBAVUXHPD-CYBMUJFWSA-N 0 3 220.360 3.304 20 0 BGADHN Cc1ccc(CNCCC2CCCC2)nc1 ZINC000087782184 359927287 /nfs/dbraw/zinc/92/72/87/359927287.db2.gz AWLGMJJFRAMQDM-UHFFFAOYSA-N 0 3 218.344 3.060 20 0 BGADHN Cc1ccc(CNCC2(C)CCCC2)nc1 ZINC000087782478 383864669 /nfs/dbraw/zinc/86/46/69/383864669.db2.gz FTVHWPJMSPMQLM-UHFFFAOYSA-N 0 3 218.344 3.060 20 0 BGADHN CC[C@@H](C)C[C@@H](C)NCc1ccc(C)cn1 ZINC000087782570 256532088 /nfs/dbraw/zinc/53/20/88/256532088.db2.gz OCWCGAZBHXQRPP-DGCLKSJQSA-N 0 3 220.360 3.304 20 0 BGADHN CC[C@H](C)C[C@@H](C)NCc1ccc(C)cn1 ZINC000087782572 384989498 /nfs/dbraw/zinc/98/94/98/384989498.db2.gz OCWCGAZBHXQRPP-WCQYABFASA-N 0 3 220.360 3.304 20 0 BGADHN CC[C@@H](C)C[C@H](C)NCc1ccc(C)cn1 ZINC000087782574 256532005 /nfs/dbraw/zinc/53/20/05/256532005.db2.gz OCWCGAZBHXQRPP-YPMHNXCESA-N 0 3 220.360 3.304 20 0 BGADHN CC[C@H](C)C[C@H](C)NCc1ccc(C)cn1 ZINC000087782576 383865782 /nfs/dbraw/zinc/86/57/82/383865782.db2.gz OCWCGAZBHXQRPP-AAEUAGOBSA-N 0 3 220.360 3.304 20 0 BGADHN C[C@H](NC[C@]1(C)CCCS1)c1ccoc1 ZINC000087792758 384850868 /nfs/dbraw/zinc/85/08/68/384850868.db2.gz LPLUPSJCJREXET-JQWIXIFHSA-N 0 3 225.357 3.216 20 0 BGADHN C[C@@H](NC[C@]1(C)CCCS1)c1ccoc1 ZINC000087792759 384851651 /nfs/dbraw/zinc/85/16/51/384851651.db2.gz LPLUPSJCJREXET-PWSUYJOCSA-N 0 3 225.357 3.216 20 0 BGADHN C[C@H](NC[C@@]1(C)CCCS1)c1ccoc1 ZINC000087792760 322934529 /nfs/dbraw/zinc/93/45/29/322934529.db2.gz LPLUPSJCJREXET-CMPLNLGQSA-N 0 3 225.357 3.216 20 0 BGADHN C[C@@H](NC[C@@]1(C)CCCS1)c1ccoc1 ZINC000087792761 322934611 /nfs/dbraw/zinc/93/46/11/322934611.db2.gz LPLUPSJCJREXET-ZYHUDNBSSA-N 0 3 225.357 3.216 20 0 BGADHN C[C@H](NC[C@]1(C)CCCS1)c1ccccn1 ZINC000087792832 383866721 /nfs/dbraw/zinc/86/67/21/383866721.db2.gz YYSYKAYGPDVLTP-AAEUAGOBSA-N 0 3 236.384 3.018 20 0 BGADHN C[C@@H](NC[C@]1(C)CCCS1)c1ccccn1 ZINC000087792833 383866129 /nfs/dbraw/zinc/86/61/29/383866129.db2.gz YYSYKAYGPDVLTP-YPMHNXCESA-N 0 3 236.384 3.018 20 0 BGADHN C[C@H](NC[C@@]1(C)CCCS1)c1ccccn1 ZINC000087792834 383867202 /nfs/dbraw/zinc/86/72/02/383867202.db2.gz YYSYKAYGPDVLTP-WCQYABFASA-N 0 3 236.384 3.018 20 0 BGADHN C[C@@H](NC[C@@]1(C)CCCS1)c1ccccn1 ZINC000087792835 383866170 /nfs/dbraw/zinc/86/61/70/383866170.db2.gz YYSYKAYGPDVLTP-DGCLKSJQSA-N 0 3 236.384 3.018 20 0 BGADHN C[C@H](NC[C@]1(C)CCCS1)c1nccs1 ZINC000087793153 384852013 /nfs/dbraw/zinc/85/20/13/384852013.db2.gz PVRRZURZKJCDNR-ONGXEEELSA-N 0 3 242.413 3.079 20 0 BGADHN C[C@@H](NC[C@]1(C)CCCS1)c1nccs1 ZINC000087793154 384851350 /nfs/dbraw/zinc/85/13/50/384851350.db2.gz PVRRZURZKJCDNR-KOLCDFICSA-N 0 3 242.413 3.079 20 0 BGADHN C[C@H](NC[C@@]1(C)CCCS1)c1nccs1 ZINC000087793155 384850410 /nfs/dbraw/zinc/85/04/10/384850410.db2.gz PVRRZURZKJCDNR-GXSJLCMTSA-N 0 3 242.413 3.079 20 0 BGADHN C[C@@H](NC[C@@]1(C)CCCS1)c1nccs1 ZINC000087793156 384851059 /nfs/dbraw/zinc/85/10/59/384851059.db2.gz PVRRZURZKJCDNR-MWLCHTKSSA-N 0 3 242.413 3.079 20 0 BGADHN C[C@H](NC[C@]1(C)CCCS1)c1ccco1 ZINC000087793248 384849152 /nfs/dbraw/zinc/84/91/52/384849152.db2.gz JAASGFZJYPAUMA-JQWIXIFHSA-N 0 3 225.357 3.216 20 0 BGADHN C[C@@H](NC[C@]1(C)CCCS1)c1ccco1 ZINC000087793249 384852439 /nfs/dbraw/zinc/85/24/39/384852439.db2.gz JAASGFZJYPAUMA-PWSUYJOCSA-N 0 3 225.357 3.216 20 0 BGADHN C[C@H](NC[C@@]1(C)CCCS1)c1ccco1 ZINC000087793250 384848926 /nfs/dbraw/zinc/84/89/26/384848926.db2.gz JAASGFZJYPAUMA-CMPLNLGQSA-N 0 3 225.357 3.216 20 0 BGADHN C[C@@H](NC[C@@]1(C)CCCS1)c1ccco1 ZINC000087793251 384850836 /nfs/dbraw/zinc/85/08/36/384850836.db2.gz JAASGFZJYPAUMA-ZYHUDNBSSA-N 0 3 225.357 3.216 20 0 BGADHN C[C@H](N[C@@H](C)C(C)(C)O)c1cc2ccccc2o1 ZINC000087818025 491092364 /nfs/dbraw/zinc/09/23/64/491092364.db2.gz RSVTYBWCZQHWJU-QWRGUYRKSA-N 0 3 247.338 3.243 20 0 BGADHN C[C@@H](N[C@@H](C)C(C)(C)O)c1cc2ccccc2o1 ZINC000087818026 491092334 /nfs/dbraw/zinc/09/23/34/491092334.db2.gz RSVTYBWCZQHWJU-MNOVXSKESA-N 0 3 247.338 3.243 20 0 BGADHN C[C@@H](N[C@@H](C)c1cc2ccccc2o1)C(C)(C)O ZINC000087818027 491092331 /nfs/dbraw/zinc/09/23/31/491092331.db2.gz RSVTYBWCZQHWJU-WDEREUQCSA-N 0 3 247.338 3.243 20 0 BGADHN C[C@@H](N[C@H](C)C(C)(C)O)c1cc2ccccc2o1 ZINC000087818028 491092327 /nfs/dbraw/zinc/09/23/27/491092327.db2.gz RSVTYBWCZQHWJU-GHMZBOCLSA-N 0 3 247.338 3.243 20 0 BGADHN C[C@H](NCCCF)c1ccc(Cl)s1 ZINC000088024675 136283842 /nfs/dbraw/zinc/28/38/42/136283842.db2.gz PNJIIYHLJKPHGD-ZETCQYMHSA-N 0 3 221.728 3.412 20 0 BGADHN C[C@@H](NCCCF)c1ccc(Cl)s1 ZINC000088024676 136283906 /nfs/dbraw/zinc/28/39/06/136283906.db2.gz PNJIIYHLJKPHGD-SSDOTTSWSA-N 0 3 221.728 3.412 20 0 BGADHN C[C@H](NCCCF)c1ccccc1Cl ZINC000088024715 384968488 /nfs/dbraw/zinc/96/84/88/384968488.db2.gz HWMFZYRVIOTVEG-VIFPVBQESA-N 0 3 215.699 3.350 20 0 BGADHN C[C@@H](NCCCF)c1ccccc1Cl ZINC000088024716 384969784 /nfs/dbraw/zinc/96/97/84/384969784.db2.gz HWMFZYRVIOTVEG-SECBINFHSA-N 0 3 215.699 3.350 20 0 BGADHN Cc1ccc(Br)c(CNC(C)C)c1 ZINC000088027851 136283756 /nfs/dbraw/zinc/28/37/56/136283756.db2.gz UUUOJTDPSNISSC-UHFFFAOYSA-N 0 3 242.160 3.256 20 0 BGADHN CC1(C)C[C@@H]1NCc1ccc(F)c(Cl)c1 ZINC000088041015 517513017 /nfs/dbraw/zinc/51/30/17/517513017.db2.gz ZLRGMTQFBCJHIH-NSHDSACASA-N 0 3 227.710 3.367 20 0 BGADHN CC1(C)C[C@H]1NCc1ccc(F)c(Cl)c1 ZINC000088041017 343696839 /nfs/dbraw/zinc/69/68/39/343696839.db2.gz ZLRGMTQFBCJHIH-LLVKDONJSA-N 0 3 227.710 3.367 20 0 BGADHN CC(C)CC(CC(C)C)NCc1ccon1 ZINC000088052480 491094179 /nfs/dbraw/zinc/09/41/79/491094179.db2.gz NFMIMBBAOVVYMM-UHFFFAOYSA-N 0 3 224.348 3.225 20 0 BGADHN CC1(C)CCC[C@H](NCc2ccon2)CC1 ZINC000088052560 641280864 /nfs/dbraw/zinc/28/08/64/641280864.db2.gz MCRRRQJZSJNXID-NSHDSACASA-N 0 3 222.332 3.123 20 0 BGADHN CC1(C)CCC[C@@H](NCc2ccon2)CC1 ZINC000088052561 641281969 /nfs/dbraw/zinc/28/19/69/641281969.db2.gz MCRRRQJZSJNXID-LLVKDONJSA-N 0 3 222.332 3.123 20 0 BGADHN CC[C@@H]1CCC[C@H](NCc2ccon2)CC1 ZINC000088052842 641281522 /nfs/dbraw/zinc/28/15/22/641281522.db2.gz SDJOSRDWTIFSLP-NEPJUHHUSA-N 0 3 222.332 3.123 20 0 BGADHN CC[C@H]1CCC[C@H](NCc2ccon2)CC1 ZINC000088052843 641280317 /nfs/dbraw/zinc/28/03/17/641280317.db2.gz SDJOSRDWTIFSLP-RYUDHWBXSA-N 0 3 222.332 3.123 20 0 BGADHN CC[C@@H]1CCC[C@@H](NCc2ccon2)CC1 ZINC000088052844 641280476 /nfs/dbraw/zinc/28/04/76/641280476.db2.gz SDJOSRDWTIFSLP-VXGBXAGGSA-N 0 3 222.332 3.123 20 0 BGADHN CC[C@H]1CCC[C@@H](NCc2ccon2)CC1 ZINC000088052845 641281409 /nfs/dbraw/zinc/28/14/09/641281409.db2.gz SDJOSRDWTIFSLP-NWDGAFQWSA-N 0 3 222.332 3.123 20 0 BGADHN COC[C@H](C)N[C@@H]1CCc2sc(Cl)cc21 ZINC000088116879 343706219 /nfs/dbraw/zinc/70/62/19/343706219.db2.gz LEGGZNYAJRUABV-IONNQARKSA-N 0 3 245.775 3.013 20 0 BGADHN COC[C@@H](C)N[C@@H]1CCc2sc(Cl)cc21 ZINC000088116881 343706195 /nfs/dbraw/zinc/70/61/95/343706195.db2.gz LEGGZNYAJRUABV-VXNVDRBHSA-N 0 3 245.775 3.013 20 0 BGADHN COC[C@H](C)N[C@H]1CCc2sc(Cl)cc21 ZINC000088116883 343706176 /nfs/dbraw/zinc/70/61/76/343706176.db2.gz LEGGZNYAJRUABV-CBAPKCEASA-N 0 3 245.775 3.013 20 0 BGADHN COC[C@@H](C)N[C@H]1CCc2sc(Cl)cc21 ZINC000088116885 343706275 /nfs/dbraw/zinc/70/62/75/343706275.db2.gz LEGGZNYAJRUABV-APPZFPTMSA-N 0 3 245.775 3.013 20 0 BGADHN Cc1cccc([C@H](C)NCc2cc[nH]c2)c1 ZINC000088162165 383883645 /nfs/dbraw/zinc/88/36/45/383883645.db2.gz QQIBPGSKAJHZQM-LBPRGKRZSA-N 0 3 214.312 3.174 20 0 BGADHN Cc1cccc([C@@H](C)NCCOC(C)C)c1 ZINC000088162237 383883626 /nfs/dbraw/zinc/88/36/26/383883626.db2.gz YKSDXUQTLPTBNK-CYBMUJFWSA-N 0 3 221.344 3.071 20 0 BGADHN Cc1cccc([C@H](C)NCCOC(C)C)c1 ZINC000088162291 179194588 /nfs/dbraw/zinc/19/45/88/179194588.db2.gz YKSDXUQTLPTBNK-ZDUSSCGKSA-N 0 3 221.344 3.071 20 0 BGADHN C[C@@H](N[C@@H]1CS[C@H](C)C1)c1cccc(F)c1 ZINC000088162376 359939372 /nfs/dbraw/zinc/93/93/72/359939372.db2.gz XTGWRVSLFYGZIA-BREBYQMCSA-N 0 3 239.359 3.370 20 0 BGADHN C[C@@H](N[C@H]1CS[C@H](C)C1)c1cccc(F)c1 ZINC000088162378 359939537 /nfs/dbraw/zinc/93/95/37/359939537.db2.gz XTGWRVSLFYGZIA-GIPNMCIBSA-N 0 3 239.359 3.370 20 0 BGADHN C[C@@H](N[C@@H]1CS[C@H](C)C1)c1ccccc1F ZINC000088162568 359939637 /nfs/dbraw/zinc/93/96/37/359939637.db2.gz MNYAORLKVYTOSG-MXWKQRLJSA-N 0 3 239.359 3.370 20 0 BGADHN C[C@@H](N[C@H]1CS[C@H](C)C1)c1ccccc1F ZINC000088162570 359939231 /nfs/dbraw/zinc/93/92/31/359939231.db2.gz MNYAORLKVYTOSG-GMTAPVOTSA-N 0 3 239.359 3.370 20 0 BGADHN C[C@H](NCC(C)(C)CO)c1ccccc1Cl ZINC000088170205 491094822 /nfs/dbraw/zinc/09/48/22/491094822.db2.gz OICLJNSWYUWTMM-JTQLQIEISA-N 0 3 241.762 3.009 20 0 BGADHN C[C@@H](NCC(C)(C)CO)c1ccccc1Cl ZINC000088170206 491094720 /nfs/dbraw/zinc/09/47/20/491094720.db2.gz OICLJNSWYUWTMM-SNVBAGLBSA-N 0 3 241.762 3.009 20 0 BGADHN C[C@H](NCC(C)(C)CO)c1ccc(Cl)s1 ZINC000088170372 491094988 /nfs/dbraw/zinc/09/49/88/491094988.db2.gz JKGKUZNQSOXBSE-QMMMGPOBSA-N 0 3 247.791 3.071 20 0 BGADHN C[C@@H](NCC(C)(C)CO)c1ccc(Cl)s1 ZINC000088170373 491094991 /nfs/dbraw/zinc/09/49/91/491094991.db2.gz JKGKUZNQSOXBSE-MRVPVSSYSA-N 0 3 247.791 3.071 20 0 BGADHN Cc1nc(CNC[C@@H]2CCC[C@H](C)C2)cs1 ZINC000088195024 644512837 /nfs/dbraw/zinc/51/28/37/644512837.db2.gz MCJJGFLTDYXDJT-CMPLNLGQSA-N 0 3 238.400 3.367 20 0 BGADHN Cc1nc(CNC[C@H]2CCC[C@H](C)C2)cs1 ZINC000088195025 644513370 /nfs/dbraw/zinc/51/33/70/644513370.db2.gz MCJJGFLTDYXDJT-JQWIXIFHSA-N 0 3 238.400 3.367 20 0 BGADHN Cc1nc(CNC[C@@H]2CCC[C@@H](C)C2)cs1 ZINC000088195027 644513080 /nfs/dbraw/zinc/51/30/80/644513080.db2.gz MCJJGFLTDYXDJT-ZYHUDNBSSA-N 0 3 238.400 3.367 20 0 BGADHN Cc1nc(CNC[C@H]2CCC[C@@H](C)C2)cs1 ZINC000088195028 644513285 /nfs/dbraw/zinc/51/32/85/644513285.db2.gz MCJJGFLTDYXDJT-PWSUYJOCSA-N 0 3 238.400 3.367 20 0 BGADHN Cc1ccc([C@@H](C)NCc2ccncc2)cc1F ZINC000088254681 359942644 /nfs/dbraw/zinc/94/26/44/359942644.db2.gz KZECGKXIUWEDDK-GFCCVEGCSA-N 0 3 244.313 3.380 20 0 BGADHN CC(C)CC1(CNCc2ncc[nH]2)CCCC1 ZINC000088290168 359946487 /nfs/dbraw/zinc/94/64/87/359946487.db2.gz ODVNVYCWXIAACG-UHFFFAOYSA-N 0 3 235.375 3.106 20 0 BGADHN CC[C@@H](C)C[C@@H](C)NCc1cccc2c1OCO2 ZINC000088293956 384550960 /nfs/dbraw/zinc/55/09/60/384550960.db2.gz CDEURPWPSVUGFJ-VXGBXAGGSA-N 0 3 249.354 3.330 20 0 BGADHN CC[C@H](C)C[C@@H](C)NCc1cccc2c1OCO2 ZINC000088293957 384552509 /nfs/dbraw/zinc/55/25/09/384552509.db2.gz CDEURPWPSVUGFJ-NWDGAFQWSA-N 0 3 249.354 3.330 20 0 BGADHN CC[C@@H](C)C[C@H](C)NCc1cccc2c1OCO2 ZINC000088293958 384550324 /nfs/dbraw/zinc/55/03/24/384550324.db2.gz CDEURPWPSVUGFJ-NEPJUHHUSA-N 0 3 249.354 3.330 20 0 BGADHN CC[C@H](C)C[C@H](C)NCc1cccc2c1OCO2 ZINC000088293959 384554403 /nfs/dbraw/zinc/55/44/03/384554403.db2.gz CDEURPWPSVUGFJ-RYUDHWBXSA-N 0 3 249.354 3.330 20 0 BGADHN CC[C@@H](C)C[C@@H](C)NCc1cn2ccccc2n1 ZINC000088297883 359946350 /nfs/dbraw/zinc/94/63/50/359946350.db2.gz LAPRNPXKBWNJTJ-CHWSQXEVSA-N 0 3 245.370 3.249 20 0 BGADHN CC[C@H](C)C[C@@H](C)NCc1cn2ccccc2n1 ZINC000088297884 359946454 /nfs/dbraw/zinc/94/64/54/359946454.db2.gz LAPRNPXKBWNJTJ-QWHCGFSZSA-N 0 3 245.370 3.249 20 0 BGADHN CC[C@@H](C)C[C@H](C)NCc1cn2ccccc2n1 ZINC000088297885 359945981 /nfs/dbraw/zinc/94/59/81/359945981.db2.gz LAPRNPXKBWNJTJ-OLZOCXBDSA-N 0 3 245.370 3.249 20 0 BGADHN CC[C@H](C)C[C@H](C)NCc1cn2ccccc2n1 ZINC000088297886 359946399 /nfs/dbraw/zinc/94/63/99/359946399.db2.gz LAPRNPXKBWNJTJ-STQMWFEESA-N 0 3 245.370 3.249 20 0 BGADHN Cc1cccc(C(C)C)c1NC(=O)[C@H](N)C(C)C ZINC000088445206 359954437 /nfs/dbraw/zinc/95/44/37/359954437.db2.gz WQKSKFNHSOHHTR-CYBMUJFWSA-N 0 3 248.370 3.040 20 0 BGADHN C[C@H](NCCC1CC1)c1nc2ccccc2n1C ZINC000088454270 491102721 /nfs/dbraw/zinc/10/27/21/491102721.db2.gz OVPRFXYPGLLPDZ-NSHDSACASA-N 0 3 243.354 3.024 20 0 BGADHN C[C@@H](NCCC1CC1)c1nc2ccccc2n1C ZINC000088454271 491102686 /nfs/dbraw/zinc/10/26/86/491102686.db2.gz OVPRFXYPGLLPDZ-LLVKDONJSA-N 0 3 243.354 3.024 20 0 BGADHN COc1ccc([C@H](C)NCCC2CC2)c(F)c1 ZINC000088454428 582577070 /nfs/dbraw/zinc/57/70/70/582577070.db2.gz GELXOCCCCCGVCK-JTQLQIEISA-N 0 3 237.318 3.285 20 0 BGADHN COc1ccc([C@@H](C)NCCC2CC2)c(F)c1 ZINC000088454429 536886310 /nfs/dbraw/zinc/88/63/10/536886310.db2.gz GELXOCCCCCGVCK-SNVBAGLBSA-N 0 3 237.318 3.285 20 0 BGADHN COc1ccc(OC)c([C@H](C)NCCC2CC2)c1 ZINC000088455041 175169180 /nfs/dbraw/zinc/16/91/80/175169180.db2.gz FBWJLXMJBRTULN-NSHDSACASA-N 0 3 249.354 3.155 20 0 BGADHN COc1ccc(OC)c([C@@H](C)NCCC2CC2)c1 ZINC000088455042 175167073 /nfs/dbraw/zinc/16/70/73/175167073.db2.gz FBWJLXMJBRTULN-LLVKDONJSA-N 0 3 249.354 3.155 20 0 BGADHN CC[C@@H](C)CN(C)Cc1ccccc1OC ZINC000088484233 388530790 /nfs/dbraw/zinc/53/07/90/388530790.db2.gz YQNRZNWUNGAZQJ-GFCCVEGCSA-N 0 3 221.344 3.173 20 0 BGADHN CC[C@H](C)CN(C)Cc1ccccc1OC ZINC000088484234 388530829 /nfs/dbraw/zinc/53/08/29/388530829.db2.gz YQNRZNWUNGAZQJ-LBPRGKRZSA-N 0 3 221.344 3.173 20 0 BGADHN CC[C@@H](C)CN1CCC[C@@H]1c1cc(C)on1 ZINC000088493305 345541079 /nfs/dbraw/zinc/54/10/79/345541079.db2.gz HRBDNCPCYFWIIQ-ZWNOBZJWSA-N 0 3 222.332 3.166 20 0 BGADHN CC[C@H](C)CN1CCC[C@@H]1c1cc(C)on1 ZINC000088493307 345541373 /nfs/dbraw/zinc/54/13/73/345541373.db2.gz HRBDNCPCYFWIIQ-GXFFZTMASA-N 0 3 222.332 3.166 20 0 BGADHN CC[C@@H](C)CN1CCO[C@H](c2ccccc2)C1 ZINC000088493341 387435481 /nfs/dbraw/zinc/43/54/81/387435481.db2.gz BSGDXOFRWKCCOP-HIFRSBDPSA-N 0 3 233.355 3.106 20 0 BGADHN CC[C@H](C)CN1CCO[C@H](c2ccccc2)C1 ZINC000088493343 387435503 /nfs/dbraw/zinc/43/55/03/387435503.db2.gz BSGDXOFRWKCCOP-ZFWWWQNUSA-N 0 3 233.355 3.106 20 0 BGADHN CCOc1ccc(CN2CCC[C@H](C)CC2)nc1 ZINC000088501118 491103254 /nfs/dbraw/zinc/10/32/54/491103254.db2.gz JQRWOCAXKHLFCF-ZDUSSCGKSA-N 0 3 248.370 3.102 20 0 BGADHN CCOc1ccc(CN2CCC[C@@H](C)CC2)nc1 ZINC000088501119 491103336 /nfs/dbraw/zinc/10/33/36/491103336.db2.gz JQRWOCAXKHLFCF-CYBMUJFWSA-N 0 3 248.370 3.102 20 0 BGADHN Cc1cc(N[C@@H](C)CCCO)c2ccccc2n1 ZINC000088503646 188144646 /nfs/dbraw/zinc/14/46/46/188144646.db2.gz BJITZFQACAAUAH-NSHDSACASA-N 0 3 244.338 3.116 20 0 BGADHN Cc1cc(N[C@H](C)CCCO)c2ccccc2n1 ZINC000088503647 178185925 /nfs/dbraw/zinc/18/59/25/178185925.db2.gz BJITZFQACAAUAH-LLVKDONJSA-N 0 3 244.338 3.116 20 0 BGADHN C[C@H](N[C@H]1CCCCC[C@H]1C)c1nccn1C ZINC000088507788 491103800 /nfs/dbraw/zinc/10/38/00/491103800.db2.gz SGHGZDBFLXYQOO-AGIUHOORSA-N 0 3 235.375 3.040 20 0 BGADHN C[C@H](N[C@H]1CCCCC[C@@H]1C)c1nccn1C ZINC000088507790 491103786 /nfs/dbraw/zinc/10/37/86/491103786.db2.gz SGHGZDBFLXYQOO-AVGNSLFASA-N 0 3 235.375 3.040 20 0 BGADHN C[C@H](N[C@@H]1CCCCC[C@H]1C)c1nccn1C ZINC000088507792 491103788 /nfs/dbraw/zinc/10/37/88/491103788.db2.gz SGHGZDBFLXYQOO-FRRDWIJNSA-N 0 3 235.375 3.040 20 0 BGADHN C[C@H](N[C@@H]1CCCCC[C@@H]1C)c1nccn1C ZINC000088507795 491103762 /nfs/dbraw/zinc/10/37/62/491103762.db2.gz SGHGZDBFLXYQOO-RWMBFGLXSA-N 0 3 235.375 3.040 20 0 BGADHN Cc1cc(F)ccc1CCNCc1ccco1 ZINC000088510529 178084191 /nfs/dbraw/zinc/08/41/91/178084191.db2.gz SJEWNUGAJSWEST-UHFFFAOYSA-N 0 3 233.286 3.059 20 0 BGADHN Cc1ccc([C@@H](C)NCc2cc[nH]c2)cc1F ZINC000088511330 359963971 /nfs/dbraw/zinc/96/39/71/359963971.db2.gz HNRQHQMFGZXFQN-LLVKDONJSA-N 0 3 232.302 3.313 20 0 BGADHN CCc1ncc(CN(C)C[C@@H](C)CC)s1 ZINC000088511375 344240653 /nfs/dbraw/zinc/24/06/53/344240653.db2.gz ODRPYRIHDHAKOU-JTQLQIEISA-N 0 3 226.389 3.183 20 0 BGADHN CCc1ncc(CN(C)C[C@H](C)CC)s1 ZINC000088511377 344240602 /nfs/dbraw/zinc/24/06/02/344240602.db2.gz ODRPYRIHDHAKOU-SNVBAGLBSA-N 0 3 226.389 3.183 20 0 BGADHN Cc1ccc([C@@H](C)NCc2cccn2C)cc1F ZINC000088511451 359964921 /nfs/dbraw/zinc/96/49/21/359964921.db2.gz GZSYHHPPEXQPNA-GFCCVEGCSA-N 0 3 246.329 3.323 20 0 BGADHN CCOc1ccc(CN2CCCCC[C@@H]2C)nc1 ZINC000088521295 491127075 /nfs/dbraw/zinc/12/70/75/491127075.db2.gz AYVJZQILTNNXSN-ZDUSSCGKSA-N 0 3 248.370 3.245 20 0 BGADHN CCOc1ccc(CN2CCCCC[C@H]2C)nc1 ZINC000088521296 491104079 /nfs/dbraw/zinc/10/40/79/491104079.db2.gz AYVJZQILTNNXSN-CYBMUJFWSA-N 0 3 248.370 3.245 20 0 BGADHN CCOc1ccc(CN2CCC[C@H](C)[C@@H]2C)nc1 ZINC000088534921 491104618 /nfs/dbraw/zinc/10/46/18/491104618.db2.gz FSEGHKDXIDSVHV-STQMWFEESA-N 0 3 248.370 3.101 20 0 BGADHN CCOc1ccc(CN2CCC[C@@H](C)[C@@H]2C)nc1 ZINC000088534922 491104435 /nfs/dbraw/zinc/10/44/35/491104435.db2.gz FSEGHKDXIDSVHV-OLZOCXBDSA-N 0 3 248.370 3.101 20 0 BGADHN CCOc1ccc(CN2C[C@H](C)CC[C@@H]2C)nc1 ZINC000088537073 491104774 /nfs/dbraw/zinc/10/47/74/491104774.db2.gz MHXPHYZEKPYQFX-OLZOCXBDSA-N 0 3 248.370 3.101 20 0 BGADHN CCOc1ccc(CN2C[C@@H](C)CC[C@@H]2C)nc1 ZINC000088537074 491104735 /nfs/dbraw/zinc/10/47/35/491104735.db2.gz MHXPHYZEKPYQFX-STQMWFEESA-N 0 3 248.370 3.101 20 0 BGADHN CCOc1ccc(CN2[C@H](C)CCC[C@@H]2C)nc1 ZINC000088537259 491104843 /nfs/dbraw/zinc/10/48/43/491104843.db2.gz CJLBWFUPTBDVCE-BETUJISGSA-N 0 3 248.370 3.243 20 0 BGADHN CN(Cc1ccccn1)C1CCC(C)(C)CC1 ZINC000088562762 359967300 /nfs/dbraw/zinc/96/73/00/359967300.db2.gz XFHFWTRDWVPPIZ-UHFFFAOYSA-N 0 3 232.371 3.482 20 0 BGADHN CCCN(Cc1nc(C)cs1)CC1CC1 ZINC000088574650 169181460 /nfs/dbraw/zinc/18/14/60/169181460.db2.gz CNXVIRUHHLYVKR-UHFFFAOYSA-N 0 3 224.373 3.074 20 0 BGADHN CCCN(Cc1nc(C)c(C)s1)CC1CC1 ZINC000088574654 388531846 /nfs/dbraw/zinc/53/18/46/388531846.db2.gz DOVGVVOEMYYJGW-UHFFFAOYSA-N 0 3 238.400 3.382 20 0 BGADHN Cc1csc(CN(C)C2CCC(C)CC2)n1 ZINC000088576147 383912294 /nfs/dbraw/zinc/91/22/94/383912294.db2.gz OWXOTUFACPXNRE-UHFFFAOYSA-N 0 3 238.400 3.462 20 0 BGADHN CC[C@@H]1CCCN(Cc2nc(C)c(C)s2)C1 ZINC000088576678 256603121 /nfs/dbraw/zinc/60/31/21/256603121.db2.gz UQTOHOMOCKYTOO-GFCCVEGCSA-N 0 3 238.400 3.382 20 0 BGADHN CC[C@H]1CCCN(Cc2nc(C)c(C)s2)C1 ZINC000088576679 385160461 /nfs/dbraw/zinc/16/04/61/385160461.db2.gz UQTOHOMOCKYTOO-LBPRGKRZSA-N 0 3 238.400 3.382 20 0 BGADHN Cc1nc(CN(CC(C)C)C2CC2)sc1C ZINC000088577619 383911960 /nfs/dbraw/zinc/91/19/60/383911960.db2.gz CMGLXCGDCFECGK-UHFFFAOYSA-N 0 3 238.400 3.380 20 0 BGADHN Cc1csc(CN([C@@H](C)C(C)C)C2CC2)n1 ZINC000088578082 383912676 /nfs/dbraw/zinc/91/26/76/383912676.db2.gz WBTUTBABUBDZQQ-NSHDSACASA-N 0 3 238.400 3.460 20 0 BGADHN Cc1csc(CN([C@H](C)C(C)C)C2CC2)n1 ZINC000088578083 383912340 /nfs/dbraw/zinc/91/23/40/383912340.db2.gz WBTUTBABUBDZQQ-LLVKDONJSA-N 0 3 238.400 3.460 20 0 BGADHN Cc1csc(CN(C)[C@@H]2CCC[C@H](C)C2)n1 ZINC000088578110 383911845 /nfs/dbraw/zinc/91/18/45/383911845.db2.gz MODQWKFTRGPOLO-CMPLNLGQSA-N 0 3 238.400 3.462 20 0 BGADHN Cc1csc(CN(C)[C@H]2CCC[C@H](C)C2)n1 ZINC000088578111 383912959 /nfs/dbraw/zinc/91/29/59/383912959.db2.gz MODQWKFTRGPOLO-JQWIXIFHSA-N 0 3 238.400 3.462 20 0 BGADHN CCN(Cc1nc(C)cs1)C1CCCC1 ZINC000088578176 344240999 /nfs/dbraw/zinc/24/09/99/344240999.db2.gz CIMBYMVGYVOEDT-UHFFFAOYSA-N 0 3 224.373 3.216 20 0 BGADHN Cc1nc(CN2CCC[C@@H]2C(C)C)sc1C ZINC000088579913 359967218 /nfs/dbraw/zinc/96/72/18/359967218.db2.gz OVBCGLMQZPJVBI-GFCCVEGCSA-N 0 3 238.400 3.380 20 0 BGADHN Cc1nc(CN2CCC[C@H]2C(C)C)sc1C ZINC000088579914 345542432 /nfs/dbraw/zinc/54/24/32/345542432.db2.gz OVBCGLMQZPJVBI-LBPRGKRZSA-N 0 3 238.400 3.380 20 0 BGADHN CCN(Cc1nc(C)cs1)[C@@H](C)C(C)C ZINC000088586946 344241089 /nfs/dbraw/zinc/24/10/89/344241089.db2.gz XDAGHOJWMBIWMJ-NSHDSACASA-N 0 3 226.389 3.318 20 0 BGADHN CCN(Cc1nc(C)cs1)[C@H](C)C(C)C ZINC000088586947 344241045 /nfs/dbraw/zinc/24/10/45/344241045.db2.gz XDAGHOJWMBIWMJ-LLVKDONJSA-N 0 3 226.389 3.318 20 0 BGADHN Cc1csc(CN2CCC[C@H](C)CC2)n1 ZINC000088587064 383912752 /nfs/dbraw/zinc/91/27/52/383912752.db2.gz XPLRGUYNYAWMAP-JTQLQIEISA-N 0 3 224.373 3.074 20 0 BGADHN Cc1csc(CN2CCC[C@@H](C)CC2)n1 ZINC000088587065 383911622 /nfs/dbraw/zinc/91/16/22/383911622.db2.gz XPLRGUYNYAWMAP-SNVBAGLBSA-N 0 3 224.373 3.074 20 0 BGADHN Cc1nc(CN2CCC[C@H](C)CC2)sc1C ZINC000088587068 359968446 /nfs/dbraw/zinc/96/84/46/359968446.db2.gz RUPMPXRKMWCWOL-JTQLQIEISA-N 0 3 238.400 3.382 20 0 BGADHN Cc1nc(CN2CCC[C@@H](C)CC2)sc1C ZINC000088587069 359968143 /nfs/dbraw/zinc/96/81/43/359968143.db2.gz RUPMPXRKMWCWOL-SNVBAGLBSA-N 0 3 238.400 3.382 20 0 BGADHN Cc1csc(CN(C)C(C2CC2)C2CC2)n1 ZINC000088590345 383916585 /nfs/dbraw/zinc/91/65/85/383916585.db2.gz DGMFDMBRXBBGMH-UHFFFAOYSA-N 0 3 236.384 3.072 20 0 BGADHN Cc1nc(CN2CCCC2(C)C)sc1C ZINC000088595163 383915684 /nfs/dbraw/zinc/91/56/84/383915684.db2.gz GAHNHQOYIVKIEW-UHFFFAOYSA-N 0 3 224.373 3.134 20 0 BGADHN CC[C@@H](C)CN(C)Cc1nc(C)c(C)s1 ZINC000088599151 383914131 /nfs/dbraw/zinc/91/41/31/383914131.db2.gz CHJILDIOOXLUTI-SECBINFHSA-N 0 3 226.389 3.238 20 0 BGADHN CC[C@H](C)CN(C)Cc1nc(C)c(C)s1 ZINC000088599152 171273993 /nfs/dbraw/zinc/27/39/93/171273993.db2.gz CHJILDIOOXLUTI-VIFPVBQESA-N 0 3 226.389 3.238 20 0 BGADHN Cc1csc(CN2CCCCC[C@@H]2C)n1 ZINC000088599857 345542896 /nfs/dbraw/zinc/54/28/96/345542896.db2.gz IOKSWUWUYVNILO-NSHDSACASA-N 0 3 224.373 3.216 20 0 BGADHN Cc1csc(CN2CCCCC[C@H]2C)n1 ZINC000088599858 345542387 /nfs/dbraw/zinc/54/23/87/345542387.db2.gz IOKSWUWUYVNILO-LLVKDONJSA-N 0 3 224.373 3.216 20 0 BGADHN CN(C/C=C/c1ccccc1)CCOCC1CC1 ZINC000088600206 388732646 /nfs/dbraw/zinc/73/26/46/388732646.db2.gz YUQDNDSVSZKOQY-VMPITWQZSA-N 0 3 245.366 3.058 20 0 BGADHN Cc1cccc(C)c1CN(C)CCOCC1CC1 ZINC000088600453 388732575 /nfs/dbraw/zinc/73/25/75/388732575.db2.gz FSZBEADITMKEPM-UHFFFAOYSA-N 0 3 247.382 3.162 20 0 BGADHN Cc1csc(CN2CCC[C@H](C)[C@@H]2C)n1 ZINC000088601659 383916750 /nfs/dbraw/zinc/91/67/50/383916750.db2.gz VGPAKCVVOIULBU-ONGXEEELSA-N 0 3 224.373 3.072 20 0 BGADHN Cc1csc(CN2CCC[C@@H](C)[C@@H]2C)n1 ZINC000088601661 383914277 /nfs/dbraw/zinc/91/42/77/383914277.db2.gz VGPAKCVVOIULBU-KOLCDFICSA-N 0 3 224.373 3.072 20 0 BGADHN Cc1nc(CN2CCC[C@H](C)[C@@H]2C)sc1C ZINC000088601663 323081529 /nfs/dbraw/zinc/08/15/29/323081529.db2.gz GMJMYBGZLQVMQX-ONGXEEELSA-N 0 3 238.400 3.380 20 0 BGADHN Cc1nc(CN2CCC[C@@H](C)[C@@H]2C)sc1C ZINC000088601665 323081523 /nfs/dbraw/zinc/08/15/23/323081523.db2.gz GMJMYBGZLQVMQX-KOLCDFICSA-N 0 3 238.400 3.380 20 0 BGADHN Cc1csc(CN2CCC[C@H]3CCC[C@@H]32)n1 ZINC000088601943 388732561 /nfs/dbraw/zinc/73/25/61/388732561.db2.gz SBLUELWBWLLUHI-NEPJUHHUSA-N 0 3 236.384 3.216 20 0 BGADHN Cc1csc(CN2CCC[C@@H]3CCC[C@@H]32)n1 ZINC000088601946 388732495 /nfs/dbraw/zinc/73/24/95/388732495.db2.gz SBLUELWBWLLUHI-RYUDHWBXSA-N 0 3 236.384 3.216 20 0 BGADHN Cc1csc(CN2C[C@H](C)CC[C@@H]2C)n1 ZINC000088602652 383916217 /nfs/dbraw/zinc/91/62/17/383916217.db2.gz LFXARJUYHFNVMX-KOLCDFICSA-N 0 3 224.373 3.072 20 0 BGADHN Cc1csc(CN2C[C@@H](C)CC[C@@H]2C)n1 ZINC000088602654 383916037 /nfs/dbraw/zinc/91/60/37/383916037.db2.gz LFXARJUYHFNVMX-ONGXEEELSA-N 0 3 224.373 3.072 20 0 BGADHN CC[C@@H](C)CN(CC)Cc1nc(C)cs1 ZINC000088603370 383915427 /nfs/dbraw/zinc/91/54/27/383915427.db2.gz DOYHWDDGPWKSRR-SNVBAGLBSA-N 0 3 226.389 3.320 20 0 BGADHN CC[C@H](C)CN(CC)Cc1nc(C)cs1 ZINC000088603373 171278554 /nfs/dbraw/zinc/27/85/54/171278554.db2.gz DOYHWDDGPWKSRR-JTQLQIEISA-N 0 3 226.389 3.320 20 0 BGADHN Cc1csc(CN2C[C@@H]3CCCC[C@@H]3C2)n1 ZINC000088603772 359969511 /nfs/dbraw/zinc/96/95/11/359969511.db2.gz IYCJQHVGRFKEOD-TXEJJXNPSA-N 0 3 236.384 3.074 20 0 BGADHN Cc1csc(CN2C[C@H]3CCCC[C@@H]3C2)n1 ZINC000088603774 388732448 /nfs/dbraw/zinc/73/24/48/388732448.db2.gz IYCJQHVGRFKEOD-VXGBXAGGSA-N 0 3 236.384 3.074 20 0 BGADHN Cc1csc(CN2C[C@@H]3CCCC[C@H]3C2)n1 ZINC000088603776 388732556 /nfs/dbraw/zinc/73/25/56/388732556.db2.gz IYCJQHVGRFKEOD-RYUDHWBXSA-N 0 3 236.384 3.074 20 0 BGADHN Cc1ccoc1CNCCc1ccc(F)cc1C ZINC000088744856 256575462 /nfs/dbraw/zinc/57/54/62/256575462.db2.gz HFTKYJRDSLBGOY-UHFFFAOYSA-N 0 3 247.313 3.368 20 0 BGADHN Cc1ccccc1[C@@H](C)NCCOC(F)(F)F ZINC000089051734 359984480 /nfs/dbraw/zinc/98/44/80/359984480.db2.gz YRVQHKWVHZIWTD-SNVBAGLBSA-N 0 3 247.260 3.182 20 0 BGADHN Cc1ccccc1[C@H](C)NCCOC(F)(F)F ZINC000089051735 351918562 /nfs/dbraw/zinc/91/85/62/351918562.db2.gz YRVQHKWVHZIWTD-JTQLQIEISA-N 0 3 247.260 3.182 20 0 BGADHN Cc1ccc([C@@H](C)NCCOC(F)(F)F)cc1 ZINC000089051750 351918255 /nfs/dbraw/zinc/91/82/55/351918255.db2.gz TZOBNHKGULYOLP-SNVBAGLBSA-N 0 3 247.260 3.182 20 0 BGADHN Cc1ccc([C@H](C)NCCOC(F)(F)F)cc1 ZINC000089051751 351918976 /nfs/dbraw/zinc/91/89/76/351918976.db2.gz TZOBNHKGULYOLP-JTQLQIEISA-N 0 3 247.260 3.182 20 0 BGADHN C[C@@H]1CCC[C@H](CCN(C)Cc2cnn(C)c2)C1 ZINC000089101084 359989078 /nfs/dbraw/zinc/98/90/78/359989078.db2.gz KWVJOYOMNAKFQU-ZIAGYGMSSA-N 0 3 249.402 3.068 20 0 BGADHN C[C@H]1CCC[C@H](CCN(C)Cc2cnn(C)c2)C1 ZINC000089101085 359989583 /nfs/dbraw/zinc/98/95/83/359989583.db2.gz KWVJOYOMNAKFQU-UONOGXRCSA-N 0 3 249.402 3.068 20 0 BGADHN C[C@@H]1CCC[C@@H](CCN(C)Cc2cnn(C)c2)C1 ZINC000089101086 359989432 /nfs/dbraw/zinc/98/94/32/359989432.db2.gz KWVJOYOMNAKFQU-KGLIPLIRSA-N 0 3 249.402 3.068 20 0 BGADHN C[C@H]1CCC[C@@H](CCN(C)Cc2cnn(C)c2)C1 ZINC000089101087 359989903 /nfs/dbraw/zinc/98/99/03/359989903.db2.gz KWVJOYOMNAKFQU-KBPBESRZSA-N 0 3 249.402 3.068 20 0 BGADHN CCNc1cccc2c1CN([C@@H](C)C(C)C)C2 ZINC000089104623 359989697 /nfs/dbraw/zinc/98/96/97/359989697.db2.gz VZTVAMAUSOWXRH-LBPRGKRZSA-N 0 3 232.371 3.479 20 0 BGADHN CCNc1cccc2c1CN([C@H](C)C(C)C)C2 ZINC000089104624 359989404 /nfs/dbraw/zinc/98/94/04/359989404.db2.gz VZTVAMAUSOWXRH-GFCCVEGCSA-N 0 3 232.371 3.479 20 0 BGADHN C[C@@H]1CCC[C@H](CCN(C)Cc2cn[nH]c2)C1 ZINC000089138559 491109343 /nfs/dbraw/zinc/10/93/43/491109343.db2.gz YZYGKOWGUOKLNH-CHWSQXEVSA-N 0 3 235.375 3.058 20 0 BGADHN C[C@H]1CCC[C@H](CCN(C)Cc2cn[nH]c2)C1 ZINC000089138561 491109347 /nfs/dbraw/zinc/10/93/47/491109347.db2.gz YZYGKOWGUOKLNH-QWHCGFSZSA-N 0 3 235.375 3.058 20 0 BGADHN C[C@@H]1CCC[C@@H](CCN(C)Cc2cn[nH]c2)C1 ZINC000089138564 491109309 /nfs/dbraw/zinc/10/93/09/491109309.db2.gz YZYGKOWGUOKLNH-OLZOCXBDSA-N 0 3 235.375 3.058 20 0 BGADHN C[C@H]1CCC[C@@H](CCN(C)Cc2cn[nH]c2)C1 ZINC000089138565 491109354 /nfs/dbraw/zinc/10/93/54/491109354.db2.gz YZYGKOWGUOKLNH-STQMWFEESA-N 0 3 235.375 3.058 20 0 BGADHN CCn1nc(CNC(C)(C)CC)c2ccccc21 ZINC000089173898 383939533 /nfs/dbraw/zinc/93/95/33/383939533.db2.gz LHQBXYIPNWTNLA-UHFFFAOYSA-N 0 3 245.370 3.334 20 0 BGADHN CCn1nc(CNC2CCCC2)c2ccccc21 ZINC000089173901 191019135 /nfs/dbraw/zinc/01/91/35/191019135.db2.gz PSDCDGRKEXUBCW-UHFFFAOYSA-N 0 3 243.354 3.088 20 0 BGADHN CCC(CC)NCc1nn(CC)c2ccccc12 ZINC000089173902 168390272 /nfs/dbraw/zinc/39/02/72/168390272.db2.gz MRPVZJSOFGVGBC-UHFFFAOYSA-N 0 3 245.370 3.334 20 0 BGADHN CCCCCNCc1nn(CC)c2ccccc12 ZINC000089173914 383939210 /nfs/dbraw/zinc/93/92/10/383939210.db2.gz DPJUKSNMNMUKAH-UHFFFAOYSA-N 0 3 245.370 3.336 20 0 BGADHN CCC[C@@H](C)NCc1nn(CC)c2ccccc12 ZINC000089173919 491109518 /nfs/dbraw/zinc/10/95/18/491109518.db2.gz VHNHZAWSGIAEPB-GFCCVEGCSA-N 0 3 245.370 3.334 20 0 BGADHN CCC[C@H](C)NCc1nn(CC)c2ccccc12 ZINC000089173920 491109474 /nfs/dbraw/zinc/10/94/74/491109474.db2.gz VHNHZAWSGIAEPB-LBPRGKRZSA-N 0 3 245.370 3.334 20 0 BGADHN CCn1nc(CNCCC(C)C)c2ccccc21 ZINC000089173947 384581091 /nfs/dbraw/zinc/58/10/91/384581091.db2.gz RYVHDVAGPNZJPQ-UHFFFAOYSA-N 0 3 245.370 3.192 20 0 BGADHN CC(C)C[C@@H](C)NCc1nn(C)c2ccccc12 ZINC000089174083 491109554 /nfs/dbraw/zinc/10/95/54/491109554.db2.gz YYUDCICWBHQTOB-GFCCVEGCSA-N 0 3 245.370 3.098 20 0 BGADHN CC(C)C[C@H](C)NCc1nn(C)c2ccccc12 ZINC000089174084 491109522 /nfs/dbraw/zinc/10/95/22/491109522.db2.gz YYUDCICWBHQTOB-LBPRGKRZSA-N 0 3 245.370 3.098 20 0 BGADHN CCn1nc(CNCC(C)(C)C)c2ccccc21 ZINC000089174181 384605455 /nfs/dbraw/zinc/60/54/55/384605455.db2.gz PYYRBAFXWLSFMA-UHFFFAOYSA-N 0 3 245.370 3.192 20 0 BGADHN CCCC[C@@H](C)NCc1nn(C)c2ccccc12 ZINC000089174326 491109674 /nfs/dbraw/zinc/10/96/74/491109674.db2.gz SHTSPEOKAGJKBF-GFCCVEGCSA-N 0 3 245.370 3.242 20 0 BGADHN CCCC[C@H](C)NCc1nn(C)c2ccccc12 ZINC000089174327 491109587 /nfs/dbraw/zinc/10/95/87/491109587.db2.gz SHTSPEOKAGJKBF-LBPRGKRZSA-N 0 3 245.370 3.242 20 0 BGADHN CC[C@@H](C)CNCc1nn(CC)c2ccccc12 ZINC000089174369 359996927 /nfs/dbraw/zinc/99/69/27/359996927.db2.gz OAGCBGFDGHOSBH-GFCCVEGCSA-N 0 3 245.370 3.192 20 0 BGADHN CC[C@H](C)CNCc1nn(CC)c2ccccc12 ZINC000089174370 359996738 /nfs/dbraw/zinc/99/67/38/359996738.db2.gz OAGCBGFDGHOSBH-LBPRGKRZSA-N 0 3 245.370 3.192 20 0 BGADHN CC[C@H](NCc1cc(C)nn1C)c1cccs1 ZINC000089183344 359998205 /nfs/dbraw/zinc/99/82/05/359998205.db2.gz HKPAAYWBYJSONP-LBPRGKRZSA-N 0 3 249.383 3.031 20 0 BGADHN CC[C@@H](NCc1cc(C)nn1C)c1cccs1 ZINC000089183345 359998116 /nfs/dbraw/zinc/99/81/16/359998116.db2.gz HKPAAYWBYJSONP-GFCCVEGCSA-N 0 3 249.383 3.031 20 0 BGADHN C[C@H](NCCSC(C)(C)C)c1ccccn1 ZINC000089516363 383974195 /nfs/dbraw/zinc/97/41/95/383974195.db2.gz DACOHMSJRWXHCT-NSHDSACASA-N 0 3 238.400 3.264 20 0 BGADHN C[C@@H](NCCSC(C)(C)C)c1ccccn1 ZINC000089516364 383974184 /nfs/dbraw/zinc/97/41/84/383974184.db2.gz DACOHMSJRWXHCT-LLVKDONJSA-N 0 3 238.400 3.264 20 0 BGADHN C[C@@H](NC1CCC(C)CC1)c1ccc(F)cn1 ZINC000089555208 360026072 /nfs/dbraw/zinc/02/60/72/360026072.db2.gz FBXPTXQAOCZTDC-QWKFWESOSA-N 0 3 236.334 3.450 20 0 BGADHN C[C@H](NC1CCC(C)CC1)c1ccc(F)cn1 ZINC000089555209 360025827 /nfs/dbraw/zinc/02/58/27/360025827.db2.gz FBXPTXQAOCZTDC-AKJDGMEZSA-N 0 3 236.334 3.450 20 0 BGADHN COc1ncccc1CNCC1CCCCCC1 ZINC000089559665 360026219 /nfs/dbraw/zinc/02/62/19/360026219.db2.gz IQKAIDMQPQZBDG-UHFFFAOYSA-N 0 3 248.370 3.150 20 0 BGADHN COc1ncccc1CNCC1CCC(C)CC1 ZINC000089576343 360027293 /nfs/dbraw/zinc/02/72/93/360027293.db2.gz LAAXNZIAYVNCNQ-UHFFFAOYSA-N 0 3 248.370 3.006 20 0 BGADHN COc1ncccc1CNC[C@H]1CCC[C@@H](C)C1 ZINC000089607837 360029732 /nfs/dbraw/zinc/02/97/32/360029732.db2.gz IWWOIJDZMBWXKI-OLZOCXBDSA-N 0 3 248.370 3.006 20 0 BGADHN COc1ncccc1CNC[C@H]1CCC[C@H](C)C1 ZINC000089607838 360030578 /nfs/dbraw/zinc/03/05/78/360030578.db2.gz IWWOIJDZMBWXKI-STQMWFEESA-N 0 3 248.370 3.006 20 0 BGADHN COc1ncccc1CNC[C@@H]1CCC[C@@H](C)C1 ZINC000089607839 360029719 /nfs/dbraw/zinc/02/97/19/360029719.db2.gz IWWOIJDZMBWXKI-CHWSQXEVSA-N 0 3 248.370 3.006 20 0 BGADHN COc1ncccc1CNC[C@@H]1CCC[C@H](C)C1 ZINC000089607840 360030301 /nfs/dbraw/zinc/03/03/01/360030301.db2.gz IWWOIJDZMBWXKI-QWHCGFSZSA-N 0 3 248.370 3.006 20 0 BGADHN C[C@@H](CN[C@@H](C)c1ccco1)Oc1ccccc1 ZINC000089722517 360035887 /nfs/dbraw/zinc/03/58/87/360035887.db2.gz MONFLJLXESHACQ-STQMWFEESA-N 0 3 245.322 3.398 20 0 BGADHN C[C@H](CN[C@@H](C)c1ccco1)Oc1ccccc1 ZINC000089722519 360035994 /nfs/dbraw/zinc/03/59/94/360035994.db2.gz MONFLJLXESHACQ-OLZOCXBDSA-N 0 3 245.322 3.398 20 0 BGADHN C[C@@H](NC[C@H](C)Oc1ccccc1)c1ccco1 ZINC000089722521 360036130 /nfs/dbraw/zinc/03/61/30/360036130.db2.gz MONFLJLXESHACQ-QWHCGFSZSA-N 0 3 245.322 3.398 20 0 BGADHN C[C@H](CN[C@H](C)c1ccco1)Oc1ccccc1 ZINC000089722523 360035390 /nfs/dbraw/zinc/03/53/90/360035390.db2.gz MONFLJLXESHACQ-CHWSQXEVSA-N 0 3 245.322 3.398 20 0 BGADHN Cc1cc(CN[C@@H](C)CC(F)(F)F)c(C)o1 ZINC000089725596 642037162 /nfs/dbraw/zinc/03/71/62/642037162.db2.gz FJGPKVPVJUJQRQ-ZETCQYMHSA-N 0 3 235.249 3.327 20 0 BGADHN Cc1cc(CN[C@H](C)CC(F)(F)F)c(C)o1 ZINC000089725597 642035980 /nfs/dbraw/zinc/03/59/80/642035980.db2.gz FJGPKVPVJUJQRQ-SSDOTTSWSA-N 0 3 235.249 3.327 20 0 BGADHN Cc1ccc(CCN[C@@H](C)c2ccccn2)cc1 ZINC000089736152 383989518 /nfs/dbraw/zinc/98/95/18/383989518.db2.gz QWJHOVVIMKXICN-AWEZNQCLSA-N 0 3 240.350 3.283 20 0 BGADHN Cc1ccc(CCN[C@H](C)c2ccccn2)cc1 ZINC000089736156 178535370 /nfs/dbraw/zinc/53/53/70/178535370.db2.gz QWJHOVVIMKXICN-CQSZACIVSA-N 0 3 240.350 3.283 20 0 BGADHN Cc1ccc(CCN[C@@H](C)c2nccs2)cc1 ZINC000089736201 383990907 /nfs/dbraw/zinc/99/09/07/383990907.db2.gz WWTDEQVQPPVTSZ-LBPRGKRZSA-N 0 3 246.379 3.345 20 0 BGADHN Cc1ccc(CCN[C@H](C)c2nccs2)cc1 ZINC000089736202 383990448 /nfs/dbraw/zinc/99/04/48/383990448.db2.gz WWTDEQVQPPVTSZ-GFCCVEGCSA-N 0 3 246.379 3.345 20 0 BGADHN CSCCN[C@@H](c1ncccc1C)C(C)C ZINC000089912456 385210586 /nfs/dbraw/zinc/21/05/86/385210586.db2.gz UNDVJASFMJONMF-GFCCVEGCSA-N 0 3 238.400 3.040 20 0 BGADHN CSCCN[C@H](c1ncccc1C)C(C)C ZINC000089912457 385212682 /nfs/dbraw/zinc/21/26/82/385212682.db2.gz UNDVJASFMJONMF-LBPRGKRZSA-N 0 3 238.400 3.040 20 0 BGADHN CC[C@](C)(NCCSC)c1nc(C)cs1 ZINC000089913149 385212485 /nfs/dbraw/zinc/21/24/85/385212485.db2.gz WMZZTBDOTIDRBA-NSHDSACASA-N 0 3 244.429 3.029 20 0 BGADHN CC[C@@](C)(NCCSC)c1nc(C)cs1 ZINC000089913150 171175188 /nfs/dbraw/zinc/17/51/88/171175188.db2.gz WMZZTBDOTIDRBA-LLVKDONJSA-N 0 3 244.429 3.029 20 0 BGADHN CC(C)=CCN(C)Cc1cccc(N(C)C)c1 ZINC000089922298 384010434 /nfs/dbraw/zinc/01/04/34/384010434.db2.gz DAOPKPAKFHPCGH-UHFFFAOYSA-N 0 3 232.371 3.151 20 0 BGADHN CN(Cc1ccc(Cl)s1)[C@@H]1CCSC1 ZINC000089939208 384012671 /nfs/dbraw/zinc/01/26/71/384012671.db2.gz VFIQWFIJYOXRRU-MRVPVSSYSA-N 0 3 247.816 3.339 20 0 BGADHN CN(Cc1ccc(Cl)s1)[C@H]1CCSC1 ZINC000089939211 384012766 /nfs/dbraw/zinc/01/27/66/384012766.db2.gz VFIQWFIJYOXRRU-QMMMGPOBSA-N 0 3 247.816 3.339 20 0 BGADHN C[C@@H](c1ccccc1F)N1CCCSCC1 ZINC000089981164 176024991 /nfs/dbraw/zinc/02/49/91/176024991.db2.gz ZRFOZQRKRJOJCC-NSHDSACASA-N 0 3 239.359 3.326 20 0 BGADHN C[C@H](c1ccccc1F)N1CCCSCC1 ZINC000089981165 177041236 /nfs/dbraw/zinc/04/12/36/177041236.db2.gz ZRFOZQRKRJOJCC-LLVKDONJSA-N 0 3 239.359 3.326 20 0 BGADHN FC(F)(F)CCCCN1CCCSCC1 ZINC000089981690 388743050 /nfs/dbraw/zinc/74/30/50/388743050.db2.gz HPBJKABAVXBCHW-UHFFFAOYSA-N 0 3 241.322 3.158 20 0 BGADHN Clc1ccc(CN2CCCSCC2)cc1 ZINC000089983998 384019508 /nfs/dbraw/zinc/01/95/08/384019508.db2.gz XSGUYOGEJCSWKQ-UHFFFAOYSA-N 0 3 241.787 3.279 20 0 BGADHN Clc1ccccc1CN1CCCSCC1 ZINC000089984224 384018942 /nfs/dbraw/zinc/01/89/42/384018942.db2.gz HZILCMUKVBKZKE-UHFFFAOYSA-N 0 3 241.787 3.279 20 0 BGADHN Clc1cccc(CN2CCCSCC2)c1 ZINC000089985540 345562279 /nfs/dbraw/zinc/56/22/79/345562279.db2.gz FKIREYJZHWYILT-UHFFFAOYSA-N 0 3 241.787 3.279 20 0 BGADHN Cc1ccc(CCN[C@@H](C)c2ccco2)cc1 ZINC000090015124 388744478 /nfs/dbraw/zinc/74/44/78/388744478.db2.gz SFCHGDJOPIOZRW-ZDUSSCGKSA-N 0 3 229.323 3.481 20 0 BGADHN Cc1ccc(CCN[C@H](C)c2ccco2)cc1 ZINC000090015127 388744154 /nfs/dbraw/zinc/74/41/54/388744154.db2.gz SFCHGDJOPIOZRW-CYBMUJFWSA-N 0 3 229.323 3.481 20 0 BGADHN CCCC[C@@H](C)NCc1cn2cccc(C)c2n1 ZINC000090045124 325674152 /nfs/dbraw/zinc/67/41/52/325674152.db2.gz BLTDWQLFYGRFGO-CYBMUJFWSA-N 0 3 245.370 3.311 20 0 BGADHN CCCC[C@H](C)NCc1cn2cccc(C)c2n1 ZINC000090045125 388745166 /nfs/dbraw/zinc/74/51/66/388745166.db2.gz BLTDWQLFYGRFGO-ZDUSSCGKSA-N 0 3 245.370 3.311 20 0 BGADHN C[C@H](N[C@@H]1C[C@@H]1C1CCCCC1)c1cnn(C)c1 ZINC000090105222 345570643 /nfs/dbraw/zinc/57/06/43/345570643.db2.gz FQFCKTZAIRNFJU-NILFDRSVSA-N 0 3 247.386 3.040 20 0 BGADHN C[C@H](N[C@H]1C[C@@H]1C1CCCCC1)c1cnn(C)c1 ZINC000090105228 345570664 /nfs/dbraw/zinc/57/06/64/345570664.db2.gz FQFCKTZAIRNFJU-GLQYFDAESA-N 0 3 247.386 3.040 20 0 BGADHN C[C@H](N[C@@H]1C[C@@H]1C1CCCCC1)c1cnccn1 ZINC000090105598 344266113 /nfs/dbraw/zinc/26/61/13/344266113.db2.gz RBQJHRUKMUPHJS-IACUBPJLSA-N 0 3 245.370 3.096 20 0 BGADHN C[C@H](N[C@H]1C[C@@H]1C1CCCCC1)c1cnccn1 ZINC000090105604 345570672 /nfs/dbraw/zinc/57/06/72/345570672.db2.gz RBQJHRUKMUPHJS-YUTCNCBUSA-N 0 3 245.370 3.096 20 0 BGADHN C[C@@H](N[C@@H]1CCC[C@H](C2CC2)C1)c1cnccn1 ZINC000090106299 384792950 /nfs/dbraw/zinc/79/29/50/384792950.db2.gz JSFOACWPGZYKDG-KWCYVHTRSA-N 0 3 245.370 3.096 20 0 BGADHN COc1cccc(F)c1[C@H](C)NCCC1CC1 ZINC000090118494 360058422 /nfs/dbraw/zinc/05/84/22/360058422.db2.gz CSWVZSMUQOQFDK-JTQLQIEISA-N 0 3 237.318 3.285 20 0 BGADHN COc1cccc(F)c1[C@@H](C)NCCC1CC1 ZINC000090118496 360058291 /nfs/dbraw/zinc/05/82/91/360058291.db2.gz CSWVZSMUQOQFDK-SNVBAGLBSA-N 0 3 237.318 3.285 20 0 BGADHN CCc1ccc([C@@H](C)NCCC2CC2)o1 ZINC000090118695 491123062 /nfs/dbraw/zinc/12/30/62/491123062.db2.gz UZPMZWGFVKNHCH-SNVBAGLBSA-N 0 3 207.317 3.293 20 0 BGADHN CCc1ccc([C@H](C)NCCC2CC2)o1 ZINC000090118696 256557437 /nfs/dbraw/zinc/55/74/37/256557437.db2.gz UZPMZWGFVKNHCH-JTQLQIEISA-N 0 3 207.317 3.293 20 0 BGADHN CCn1cncc1CN[C@H](C)c1ccccc1C ZINC000090169943 135546892 /nfs/dbraw/zinc/54/68/92/135546892.db2.gz ADZOJVNFJYVDJK-CYBMUJFWSA-N 0 3 243.354 3.062 20 0 BGADHN CCn1cncc1CN[C@@H](C)c1ccc(C)cc1 ZINC000090172268 360061531 /nfs/dbraw/zinc/06/15/31/360061531.db2.gz YSNIGPOQLGCDMJ-ZDUSSCGKSA-N 0 3 243.354 3.062 20 0 BGADHN CCn1cncc1CN[C@H](C)c1ccc(C)cc1 ZINC000090172270 360061016 /nfs/dbraw/zinc/06/10/16/360061016.db2.gz YSNIGPOQLGCDMJ-CYBMUJFWSA-N 0 3 243.354 3.062 20 0 BGADHN CCn1cncc1CN[C@@H](C)c1ccc(C)s1 ZINC000090172772 635539309 /nfs/dbraw/zinc/53/93/09/635539309.db2.gz YPYWADCZEFANRT-NSHDSACASA-N 0 3 249.383 3.124 20 0 BGADHN CCn1cncc1CN[C@H](C)c1ccc(C)s1 ZINC000090172774 635538115 /nfs/dbraw/zinc/53/81/15/635538115.db2.gz YPYWADCZEFANRT-LLVKDONJSA-N 0 3 249.383 3.124 20 0 BGADHN CC[C@H](NCc1cncn1CC)c1cccs1 ZINC000090172797 360061044 /nfs/dbraw/zinc/06/10/44/360061044.db2.gz BDLJXKSYWJGAJV-LBPRGKRZSA-N 0 3 249.383 3.205 20 0 BGADHN CC[C@@H](NCc1cncn1CC)c1cccs1 ZINC000090172799 360061535 /nfs/dbraw/zinc/06/15/35/360061535.db2.gz BDLJXKSYWJGAJV-GFCCVEGCSA-N 0 3 249.383 3.205 20 0 BGADHN CC[C@H](NCc1cncn1CC)c1ccccc1 ZINC000090172979 360061497 /nfs/dbraw/zinc/06/14/97/360061497.db2.gz IGXHEQNXXYKSGI-HNNXBMFYSA-N 0 3 243.354 3.144 20 0 BGADHN CC[C@@H](NCc1cncn1CC)c1ccccc1 ZINC000090172981 360061520 /nfs/dbraw/zinc/06/15/20/360061520.db2.gz IGXHEQNXXYKSGI-OAHLLOKOSA-N 0 3 243.354 3.144 20 0 BGADHN CC[C@@H](C)NCc1c(F)cccc1OC(F)F ZINC000090177287 345571861 /nfs/dbraw/zinc/57/18/61/345571861.db2.gz MYXSHGJMCLWWPY-MRVPVSSYSA-N 0 3 247.260 3.315 20 0 BGADHN CC[C@H](C)NCc1c(F)cccc1OC(F)F ZINC000090177288 345572310 /nfs/dbraw/zinc/57/23/10/345572310.db2.gz MYXSHGJMCLWWPY-QMMMGPOBSA-N 0 3 247.260 3.315 20 0 BGADHN CC(C)n1cncc1CN[C@@H](C)c1ccccc1 ZINC000090207457 360065061 /nfs/dbraw/zinc/06/50/61/360065061.db2.gz VBPZSVXMRDCXBG-ZDUSSCGKSA-N 0 3 243.354 3.315 20 0 BGADHN CC(C)n1cncc1CN[C@H](C)c1ccccc1 ZINC000090207458 360064558 /nfs/dbraw/zinc/06/45/58/360064558.db2.gz VBPZSVXMRDCXBG-CYBMUJFWSA-N 0 3 243.354 3.315 20 0 BGADHN CC(C)n1cncc1CNCCC1=CCCCC1 ZINC000090207594 360065147 /nfs/dbraw/zinc/06/51/47/360065147.db2.gz QIAOKKXXQJREAE-UHFFFAOYSA-N 0 3 247.386 3.444 20 0 BGADHN Cc1ccccc1CNCc1cncn1C(C)C ZINC000090208517 360064670 /nfs/dbraw/zinc/06/46/70/360064670.db2.gz LFUSGHUSTCEYNE-UHFFFAOYSA-N 0 3 243.354 3.062 20 0 BGADHN Cc1ccc(CNCc2cncn2C(C)C)s1 ZINC000090208978 360065597 /nfs/dbraw/zinc/06/55/97/360065597.db2.gz QKFXMIAIOWXMIH-UHFFFAOYSA-N 0 3 249.383 3.124 20 0 BGADHN CCC1(CN[C@@H](C)c2ccc(C)o2)CC1 ZINC000090219452 384635014 /nfs/dbraw/zinc/63/50/14/384635014.db2.gz ULZPIBQNDSIWCH-NSHDSACASA-N 0 3 207.317 3.429 20 0 BGADHN CCC1(CN[C@H](C)c2ccc(C)o2)CC1 ZINC000090219453 384635030 /nfs/dbraw/zinc/63/50/30/384635030.db2.gz ULZPIBQNDSIWCH-LLVKDONJSA-N 0 3 207.317 3.429 20 0 BGADHN CCC1(CN[C@@H](C)c2ccc(F)cn2)CC1 ZINC000090219645 360065605 /nfs/dbraw/zinc/06/56/05/360065605.db2.gz GYLKCJNCMLRQHM-JTQLQIEISA-N 0 3 222.307 3.062 20 0 BGADHN CCC1(CN[C@H](C)c2ccc(F)cn2)CC1 ZINC000090219646 360065690 /nfs/dbraw/zinc/06/56/90/360065690.db2.gz GYLKCJNCMLRQHM-SNVBAGLBSA-N 0 3 222.307 3.062 20 0 BGADHN Cc1ccc([C@@H](C)NCC2(C)CCC2)o1 ZINC000090219858 384636701 /nfs/dbraw/zinc/63/67/01/384636701.db2.gz OTZJOSBRHHLQRM-LLVKDONJSA-N 0 3 207.317 3.429 20 0 BGADHN Cc1ccc([C@H](C)NCC2(C)CCC2)o1 ZINC000090219859 384636633 /nfs/dbraw/zinc/63/66/33/384636633.db2.gz OTZJOSBRHHLQRM-NSHDSACASA-N 0 3 207.317 3.429 20 0 BGADHN CC1(CN[C@@H]2CCOc3ccc(F)cc32)CCC1 ZINC000090219980 491123886 /nfs/dbraw/zinc/12/38/86/491123886.db2.gz QQHKPWCVJCWGKA-CYBMUJFWSA-N 0 3 249.329 3.429 20 0 BGADHN CC1(CN[C@H]2CCOc3ccc(F)cc32)CCC1 ZINC000090219981 491123875 /nfs/dbraw/zinc/12/38/75/491123875.db2.gz QQHKPWCVJCWGKA-ZDUSSCGKSA-N 0 3 249.329 3.429 20 0 BGADHN C[C@H](NCC1(C)CCC1)c1ccc(F)cn1 ZINC000090220047 384035547 /nfs/dbraw/zinc/03/55/47/384035547.db2.gz ORMVMHDFISSFCW-JTQLQIEISA-N 0 3 222.307 3.062 20 0 BGADHN C[C@@H](NCC1(C)CCC1)c1ccc(F)cn1 ZINC000090220048 384037161 /nfs/dbraw/zinc/03/71/61/384037161.db2.gz ORMVMHDFISSFCW-SNVBAGLBSA-N 0 3 222.307 3.062 20 0 BGADHN CC1(CN[C@@H]2CCOc3c(F)cccc32)CCC1 ZINC000090220180 491123902 /nfs/dbraw/zinc/12/39/02/491123902.db2.gz DNOFJKMHWSENHW-CYBMUJFWSA-N 0 3 249.329 3.429 20 0 BGADHN CC1(CN[C@H]2CCOc3c(F)cccc32)CCC1 ZINC000090220181 491123906 /nfs/dbraw/zinc/12/39/06/491123906.db2.gz DNOFJKMHWSENHW-ZDUSSCGKSA-N 0 3 249.329 3.429 20 0 BGADHN CC(C)CC(C)(C)CN[C@@H](C)c1cnccn1 ZINC000090228219 385217476 /nfs/dbraw/zinc/21/74/76/385217476.db2.gz OKKXPCBDMGZBNF-LBPRGKRZSA-N 0 3 235.375 3.200 20 0 BGADHN CC(C)CC(C)(C)CN[C@H](C)c1cnccn1 ZINC000090228222 385219086 /nfs/dbraw/zinc/21/90/86/385219086.db2.gz OKKXPCBDMGZBNF-GFCCVEGCSA-N 0 3 235.375 3.200 20 0 BGADHN CC(C)[C@@H](C)NCc1c(F)c(F)cc(F)c1F ZINC000090229014 491123829 /nfs/dbraw/zinc/12/38/29/491123829.db2.gz BTJUIHCWFPMWAK-SSDOTTSWSA-N 0 3 249.251 3.377 20 0 BGADHN CC(C)[C@H](C)NCc1c(F)c(F)cc(F)c1F ZINC000090229016 491123833 /nfs/dbraw/zinc/12/38/33/491123833.db2.gz BTJUIHCWFPMWAK-ZETCQYMHSA-N 0 3 249.251 3.377 20 0 BGADHN CC(C)C1(CN[C@@H](C)c2ccccn2)CC1 ZINC000090230634 166746345 /nfs/dbraw/zinc/74/63/45/166746345.db2.gz QRIGDIWSJKPUFT-LBPRGKRZSA-N 0 3 218.344 3.168 20 0 BGADHN CC(C)C1(CN[C@H](C)c2ccccn2)CC1 ZINC000090230636 384034598 /nfs/dbraw/zinc/03/45/98/384034598.db2.gz QRIGDIWSJKPUFT-GFCCVEGCSA-N 0 3 218.344 3.168 20 0 BGADHN CC(C)C1(CN[C@@H](C)c2nccs2)CC1 ZINC000090230646 385219182 /nfs/dbraw/zinc/21/91/82/385219182.db2.gz VTOOZYHWPIHKOB-JTQLQIEISA-N 0 3 224.373 3.230 20 0 BGADHN CC(C)C1(CN[C@H](C)c2nccs2)CC1 ZINC000090230648 385217914 /nfs/dbraw/zinc/21/79/14/385217914.db2.gz VTOOZYHWPIHKOB-SNVBAGLBSA-N 0 3 224.373 3.230 20 0 BGADHN CC(C)C1(CN[C@@H](C)c2ccc(F)cn2)CC1 ZINC000090230745 384035221 /nfs/dbraw/zinc/03/52/21/384035221.db2.gz USOHFSFMCZQTQT-NSHDSACASA-N 0 3 236.334 3.308 20 0 BGADHN CC(C)C1(CN[C@H](C)c2ccc(F)cn2)CC1 ZINC000090230747 384034362 /nfs/dbraw/zinc/03/43/62/384034362.db2.gz USOHFSFMCZQTQT-LLVKDONJSA-N 0 3 236.334 3.308 20 0 BGADHN CC(C)C1(CN[C@@H](C)c2ccco2)CC1 ZINC000090230827 385218861 /nfs/dbraw/zinc/21/88/61/385218861.db2.gz MYNJFLAVTHBWAR-NSHDSACASA-N 0 3 207.317 3.366 20 0 BGADHN CC(C)C1(CN[C@H](C)c2ccco2)CC1 ZINC000090230828 385217295 /nfs/dbraw/zinc/21/72/95/385217295.db2.gz MYNJFLAVTHBWAR-LLVKDONJSA-N 0 3 207.317 3.366 20 0 BGADHN Cc1ccc([C@@H](C)NCCC2CCC2)o1 ZINC000090233297 491123892 /nfs/dbraw/zinc/12/38/92/491123892.db2.gz AHWREMOCLHOBEV-LLVKDONJSA-N 0 3 207.317 3.429 20 0 BGADHN Cc1ccc([C@H](C)NCCC2CCC2)o1 ZINC000090233299 491123899 /nfs/dbraw/zinc/12/38/99/491123899.db2.gz AHWREMOCLHOBEV-NSHDSACASA-N 0 3 207.317 3.429 20 0 BGADHN COc1ccccc1[C@H](C)N[C@H]1C=CCCC1 ZINC000090392715 175352366 /nfs/dbraw/zinc/35/23/66/175352366.db2.gz SGKISDWAXPUYFA-STQMWFEESA-N 0 3 231.339 3.455 20 0 BGADHN COc1ccccc1[C@@H](C)N[C@H]1C=CCCC1 ZINC000090392716 175346259 /nfs/dbraw/zinc/34/62/59/175346259.db2.gz SGKISDWAXPUYFA-OLZOCXBDSA-N 0 3 231.339 3.455 20 0 BGADHN COc1ccccc1[C@H](C)N[C@@H]1C=CCCC1 ZINC000090392717 175351728 /nfs/dbraw/zinc/35/17/28/175351728.db2.gz SGKISDWAXPUYFA-QWHCGFSZSA-N 0 3 231.339 3.455 20 0 BGADHN COc1ccccc1[C@@H](C)N[C@@H]1C=CCCC1 ZINC000090392718 175345841 /nfs/dbraw/zinc/34/58/41/175345841.db2.gz SGKISDWAXPUYFA-CHWSQXEVSA-N 0 3 231.339 3.455 20 0 BGADHN CC[C@H](N[C@H]1C=CCCC1)c1c(C)nn(C)c1C ZINC000090393025 345567706 /nfs/dbraw/zinc/56/77/06/345567706.db2.gz ZLDJPMNZOMMDLP-KBPBESRZSA-N 0 3 247.386 3.186 20 0 BGADHN CC[C@@H](N[C@H]1C=CCCC1)c1c(C)nn(C)c1C ZINC000090393026 345568027 /nfs/dbraw/zinc/56/80/27/345568027.db2.gz ZLDJPMNZOMMDLP-UONOGXRCSA-N 0 3 247.386 3.186 20 0 BGADHN CC[C@H](N[C@@H]1C=CCCC1)c1c(C)nn(C)c1C ZINC000090393027 345567977 /nfs/dbraw/zinc/56/79/77/345567977.db2.gz ZLDJPMNZOMMDLP-KGLIPLIRSA-N 0 3 247.386 3.186 20 0 BGADHN CC[C@@H](N[C@@H]1C=CCCC1)c1c(C)nn(C)c1C ZINC000090393028 345567762 /nfs/dbraw/zinc/56/77/62/345567762.db2.gz ZLDJPMNZOMMDLP-ZIAGYGMSSA-N 0 3 247.386 3.186 20 0 BGADHN COc1cccc([C@H](C)N[C@H]2C=CCCC2)c1 ZINC000090393079 175293269 /nfs/dbraw/zinc/29/32/69/175293269.db2.gz KIQQFQLYWVHFPJ-JSGCOSHPSA-N 0 3 231.339 3.455 20 0 BGADHN COc1cccc([C@@H](C)N[C@H]2C=CCCC2)c1 ZINC000090393080 353387891 /nfs/dbraw/zinc/38/78/91/353387891.db2.gz KIQQFQLYWVHFPJ-OCCSQVGLSA-N 0 3 231.339 3.455 20 0 BGADHN COc1cccc([C@H](C)N[C@@H]2C=CCCC2)c1 ZINC000090393081 175293343 /nfs/dbraw/zinc/29/33/43/175293343.db2.gz KIQQFQLYWVHFPJ-GXTWGEPZSA-N 0 3 231.339 3.455 20 0 BGADHN COc1cccc([C@@H](C)N[C@@H]2C=CCCC2)c1 ZINC000090393082 353387467 /nfs/dbraw/zinc/38/74/67/353387467.db2.gz KIQQFQLYWVHFPJ-TZMCWYRMSA-N 0 3 231.339 3.455 20 0 BGADHN C[C@H](N[C@H]1C=CCCC1)c1ccc2c(c1)OCO2 ZINC000090393531 388747186 /nfs/dbraw/zinc/74/71/86/388747186.db2.gz UFXUVDZQHZOZSK-AAEUAGOBSA-N 0 3 245.322 3.175 20 0 BGADHN C[C@@H](N[C@H]1C=CCCC1)c1ccc2c(c1)OCO2 ZINC000090393532 388747251 /nfs/dbraw/zinc/74/72/51/388747251.db2.gz UFXUVDZQHZOZSK-YPMHNXCESA-N 0 3 245.322 3.175 20 0 BGADHN C[C@H](N[C@@H]1C=CCCC1)c1ccc2c(c1)OCO2 ZINC000090393533 388747324 /nfs/dbraw/zinc/74/73/24/388747324.db2.gz UFXUVDZQHZOZSK-WCQYABFASA-N 0 3 245.322 3.175 20 0 BGADHN C[C@@H](N[C@@H]1C=CCCC1)c1ccc2c(c1)OCO2 ZINC000090393534 388747216 /nfs/dbraw/zinc/74/72/16/388747216.db2.gz UFXUVDZQHZOZSK-DGCLKSJQSA-N 0 3 245.322 3.175 20 0 BGADHN COc1ccc([C@H](C)N[C@H]2C=CCCC2)cc1 ZINC000090393547 175190194 /nfs/dbraw/zinc/19/01/94/175190194.db2.gz WPLQMDOFGJZMDD-JSGCOSHPSA-N 0 3 231.339 3.455 20 0 BGADHN COc1ccc([C@@H](C)N[C@H]2C=CCCC2)cc1 ZINC000090393548 175177761 /nfs/dbraw/zinc/17/77/61/175177761.db2.gz WPLQMDOFGJZMDD-OCCSQVGLSA-N 0 3 231.339 3.455 20 0 BGADHN COc1ccc([C@H](C)N[C@@H]2C=CCCC2)cc1 ZINC000090393549 175189793 /nfs/dbraw/zinc/18/97/93/175189793.db2.gz WPLQMDOFGJZMDD-GXTWGEPZSA-N 0 3 231.339 3.455 20 0 BGADHN COc1ccc([C@@H](C)N[C@@H]2C=CCCC2)cc1 ZINC000090393550 175177461 /nfs/dbraw/zinc/17/74/61/175177461.db2.gz WPLQMDOFGJZMDD-TZMCWYRMSA-N 0 3 231.339 3.455 20 0 BGADHN CC(C)n1cc([C@@H](C)N[C@H]2C=CCCC2)cn1 ZINC000090393639 345568016 /nfs/dbraw/zinc/56/80/16/345568016.db2.gz GKWOOJSUKNLKPI-OCCSQVGLSA-N 0 3 233.359 3.223 20 0 BGADHN CC(C)n1cc([C@H](C)N[C@H]2C=CCCC2)cn1 ZINC000090393640 345567969 /nfs/dbraw/zinc/56/79/69/345567969.db2.gz GKWOOJSUKNLKPI-JSGCOSHPSA-N 0 3 233.359 3.223 20 0 BGADHN CC(C)n1cc([C@@H](C)N[C@@H]2C=CCCC2)cn1 ZINC000090393641 345567993 /nfs/dbraw/zinc/56/79/93/345567993.db2.gz GKWOOJSUKNLKPI-TZMCWYRMSA-N 0 3 233.359 3.223 20 0 BGADHN CC(C)n1cc([C@H](C)N[C@@H]2C=CCCC2)cn1 ZINC000090393642 345567669 /nfs/dbraw/zinc/56/76/69/345567669.db2.gz GKWOOJSUKNLKPI-GXTWGEPZSA-N 0 3 233.359 3.223 20 0 BGADHN Cc1ncc([C@@H](C)N[C@H]2C=CCCC2)s1 ZINC000090393687 491124621 /nfs/dbraw/zinc/12/46/21/491124621.db2.gz WULKCBUZWAUPRI-KOLCDFICSA-N 0 3 222.357 3.211 20 0 BGADHN Cc1ncc([C@H](C)N[C@H]2C=CCCC2)s1 ZINC000090393688 491124623 /nfs/dbraw/zinc/12/46/23/491124623.db2.gz WULKCBUZWAUPRI-ONGXEEELSA-N 0 3 222.357 3.211 20 0 BGADHN Cc1ncc([C@@H](C)N[C@@H]2C=CCCC2)s1 ZINC000090393689 491124617 /nfs/dbraw/zinc/12/46/17/491124617.db2.gz WULKCBUZWAUPRI-MWLCHTKSSA-N 0 3 222.357 3.211 20 0 BGADHN Cc1ncc([C@H](C)N[C@@H]2C=CCCC2)s1 ZINC000090393690 491124615 /nfs/dbraw/zinc/12/46/15/491124615.db2.gz WULKCBUZWAUPRI-GXSJLCMTSA-N 0 3 222.357 3.211 20 0 BGADHN CC1CCN(C/C=C\c2ccccc2)CC1 ZINC000090399225 363051305 /nfs/dbraw/zinc/05/13/05/363051305.db2.gz VSQICQQFSSTKTR-YVMONPNESA-N 0 3 215.340 3.432 20 0 BGADHN Cc1ncc([C@@H](C)NCc2ccccc2)s1 ZINC000090399436 491124879 /nfs/dbraw/zinc/12/48/79/491124879.db2.gz VLYOPCPJDSLJTF-SNVBAGLBSA-N 0 3 232.352 3.302 20 0 BGADHN Cc1ncc([C@H](C)NCc2ccccc2)s1 ZINC000090399439 491124859 /nfs/dbraw/zinc/12/48/59/491124859.db2.gz VLYOPCPJDSLJTF-JTQLQIEISA-N 0 3 232.352 3.302 20 0 BGADHN CCCC1(CN[C@@H](C)c2cnccn2)CCC1 ZINC000090399738 384020665 /nfs/dbraw/zinc/02/06/65/384020665.db2.gz SOQQGPJTOCIXJA-LBPRGKRZSA-N 0 3 233.359 3.098 20 0 BGADHN CCCC1(CN[C@H](C)c2cnccn2)CCC1 ZINC000090399740 384022321 /nfs/dbraw/zinc/02/23/21/384022321.db2.gz SOQQGPJTOCIXJA-GFCCVEGCSA-N 0 3 233.359 3.098 20 0 BGADHN Cc1ncc([C@@H](C)NCc2cccs2)s1 ZINC000090399985 491124967 /nfs/dbraw/zinc/12/49/67/491124967.db2.gz BICNMFAZVYVMGB-MRVPVSSYSA-N 0 3 238.381 3.364 20 0 BGADHN Cc1ncc([C@H](C)NCc2cccs2)s1 ZINC000090399986 491124969 /nfs/dbraw/zinc/12/49/69/491124969.db2.gz BICNMFAZVYVMGB-QMMMGPOBSA-N 0 3 238.381 3.364 20 0 BGADHN CCC(CC)(CC)CN[C@@H](C)c1cnccn1 ZINC000090400268 168316697 /nfs/dbraw/zinc/31/66/97/168316697.db2.gz ZETGXEJHXFCKAQ-LBPRGKRZSA-N 0 3 235.375 3.344 20 0 BGADHN CCC(CC)(CC)CN[C@H](C)c1cnccn1 ZINC000090400269 168316199 /nfs/dbraw/zinc/31/61/99/168316199.db2.gz ZETGXEJHXFCKAQ-GFCCVEGCSA-N 0 3 235.375 3.344 20 0 BGADHN CCCC1(CN[C@@H](C)c2ccccn2)CC1 ZINC000090402261 384044611 /nfs/dbraw/zinc/04/46/11/384044611.db2.gz XQIWFVLXHWKDGE-LBPRGKRZSA-N 0 3 218.344 3.313 20 0 BGADHN CCCC1(CN[C@H](C)c2ccccn2)CC1 ZINC000090402263 384044674 /nfs/dbraw/zinc/04/46/74/384044674.db2.gz XQIWFVLXHWKDGE-GFCCVEGCSA-N 0 3 218.344 3.313 20 0 BGADHN CCCC1(CN[C@@H](C)c2nccs2)CC1 ZINC000090402280 343930164 /nfs/dbraw/zinc/93/01/64/343930164.db2.gz KNWBUXPUZFNWII-JTQLQIEISA-N 0 3 224.373 3.374 20 0 BGADHN CCCC1(CN[C@H](C)c2nccs2)CC1 ZINC000090402282 343930110 /nfs/dbraw/zinc/93/01/10/343930110.db2.gz KNWBUXPUZFNWII-SNVBAGLBSA-N 0 3 224.373 3.374 20 0 BGADHN CCCC1(CN[C@@H](C)c2ccc(F)cn2)CC1 ZINC000090402394 135549951 /nfs/dbraw/zinc/54/99/51/135549951.db2.gz OMZTYGNBKNQGEP-NSHDSACASA-N 0 3 236.334 3.452 20 0 BGADHN CCCC1(CN[C@H](C)c2ccc(F)cn2)CC1 ZINC000090402395 360072349 /nfs/dbraw/zinc/07/23/49/360072349.db2.gz OMZTYGNBKNQGEP-LLVKDONJSA-N 0 3 236.334 3.452 20 0 BGADHN Cc1ncc([C@@H](C)NCCC(F)(F)F)s1 ZINC000090419025 491126741 /nfs/dbraw/zinc/12/67/41/491126741.db2.gz CWJPUABBCAIGHP-ZCFIWIBFSA-N 0 3 238.278 3.055 20 0 BGADHN Cc1ncc([C@H](C)NCCC(F)(F)F)s1 ZINC000090419026 491126692 /nfs/dbraw/zinc/12/66/92/491126692.db2.gz CWJPUABBCAIGHP-LURJTMIESA-N 0 3 238.278 3.055 20 0 BGADHN C[C@H](NCc1nc(C2CC2)cs1)C1(C)CC1 ZINC000090458825 384050904 /nfs/dbraw/zinc/05/09/04/384050904.db2.gz DUJJNCOITSTHDH-VIFPVBQESA-N 0 3 236.384 3.299 20 0 BGADHN C[C@@H](NCc1nc(C2CC2)cs1)C1(C)CC1 ZINC000090458827 384049680 /nfs/dbraw/zinc/04/96/80/384049680.db2.gz DUJJNCOITSTHDH-SECBINFHSA-N 0 3 236.384 3.299 20 0 BGADHN C[C@H](NCc1nc(C2CC2)cs1)C1CCC1 ZINC000090460192 384821473 /nfs/dbraw/zinc/82/14/73/384821473.db2.gz AUONUKZRDYIMLK-VIFPVBQESA-N 0 3 236.384 3.299 20 0 BGADHN C[C@@H](NCc1nc(C2CC2)cs1)C1CCC1 ZINC000090460194 384821817 /nfs/dbraw/zinc/82/18/17/384821817.db2.gz AUONUKZRDYIMLK-SECBINFHSA-N 0 3 236.384 3.299 20 0 BGADHN CC(C)[C@@H](C)NCc1nc(C2CC2)cs1 ZINC000090460485 167384495 /nfs/dbraw/zinc/38/44/95/167384495.db2.gz QTOKVXPEDJZDEV-SECBINFHSA-N 0 3 224.373 3.155 20 0 BGADHN CC(C)[C@H](C)NCc1nc(C2CC2)cs1 ZINC000090460487 384028846 /nfs/dbraw/zinc/02/88/46/384028846.db2.gz QTOKVXPEDJZDEV-VIFPVBQESA-N 0 3 224.373 3.155 20 0 BGADHN C[C@H](NCCCF)c1nc2c(s1)CCCC2 ZINC000090522076 384056981 /nfs/dbraw/zinc/05/69/81/384056981.db2.gz CDBVMZSJFXUOAT-VIFPVBQESA-N 0 3 242.363 3.032 20 0 BGADHN C[C@@H](NCCCF)c1nc2c(s1)CCCC2 ZINC000090522079 388748117 /nfs/dbraw/zinc/74/81/17/388748117.db2.gz CDBVMZSJFXUOAT-SECBINFHSA-N 0 3 242.363 3.032 20 0 BGADHN CC[C@H](NCCCF)c1cc(C)ccc1OC ZINC000090522137 368987140 /nfs/dbraw/zinc/98/71/40/368987140.db2.gz SLLYIJOLUJBITI-ZDUSSCGKSA-N 0 3 239.334 3.404 20 0 BGADHN CC[C@@H](NCCCF)c1cc(C)ccc1OC ZINC000090522141 368987332 /nfs/dbraw/zinc/98/73/32/368987332.db2.gz SLLYIJOLUJBITI-CYBMUJFWSA-N 0 3 239.334 3.404 20 0 BGADHN COCCC1(CN[C@H](C)c2ccc(C)o2)CC1 ZINC000090535566 174155681 /nfs/dbraw/zinc/15/56/81/174155681.db2.gz YKMWWLHOIRYXEB-GFCCVEGCSA-N 0 3 237.343 3.055 20 0 BGADHN COCCC1(CN[C@@H](C)c2ccc(C)o2)CC1 ZINC000090535569 174155729 /nfs/dbraw/zinc/15/57/29/174155729.db2.gz YKMWWLHOIRYXEB-LBPRGKRZSA-N 0 3 237.343 3.055 20 0 BGADHN C[C@H](NCc1ccn(C2CCCC2)n1)C1(C)CC1 ZINC000090547127 360077928 /nfs/dbraw/zinc/07/79/28/360077928.db2.gz DVWKIJZRDKXMEA-LBPRGKRZSA-N 0 3 247.386 3.276 20 0 BGADHN C[C@@H](NCc1ccn(C2CCCC2)n1)C1(C)CC1 ZINC000090547128 360077985 /nfs/dbraw/zinc/07/79/85/360077985.db2.gz DVWKIJZRDKXMEA-GFCCVEGCSA-N 0 3 247.386 3.276 20 0 BGADHN C[C@H](NCc1ccn(C2CCCC2)n1)C1CCC1 ZINC000090572521 398302944 /nfs/dbraw/zinc/30/29/44/398302944.db2.gz PVUPLDZSOBMVQG-LBPRGKRZSA-N 0 3 247.386 3.276 20 0 BGADHN C[C@@H](NCc1ccn(C2CCCC2)n1)C1CCC1 ZINC000090572522 398303187 /nfs/dbraw/zinc/30/31/87/398303187.db2.gz PVUPLDZSOBMVQG-GFCCVEGCSA-N 0 3 247.386 3.276 20 0 BGADHN Cc1ccc([C@@H](C)N[C@H](CO)CC(C)(C)C)o1 ZINC000090587497 343935639 /nfs/dbraw/zinc/93/56/39/343935639.db2.gz PQDMTNKIRKJHLG-NEPJUHHUSA-N 0 3 239.359 3.036 20 0 BGADHN Cc1ccc([C@H](C)N[C@H](CO)CC(C)(C)C)o1 ZINC000090587498 343935649 /nfs/dbraw/zinc/93/56/49/343935649.db2.gz PQDMTNKIRKJHLG-RYUDHWBXSA-N 0 3 239.359 3.036 20 0 BGADHN Cc1ccc([C@@H](C)N[C@@H](CO)CC(C)(C)C)o1 ZINC000090587499 135552044 /nfs/dbraw/zinc/55/20/44/135552044.db2.gz PQDMTNKIRKJHLG-VXGBXAGGSA-N 0 3 239.359 3.036 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H](CO)CC(C)(C)C)o1 ZINC000090587505 343935397 /nfs/dbraw/zinc/93/53/97/343935397.db2.gz PQDMTNKIRKJHLG-NWDGAFQWSA-N 0 3 239.359 3.036 20 0 BGADHN Clc1ccc2c(c1)CN(CC1CC1)CC2 ZINC000090612531 388749731 /nfs/dbraw/zinc/74/97/31/388749731.db2.gz MSUCAFBDFIFRLO-UHFFFAOYSA-N 0 3 221.731 3.108 20 0 BGADHN Cc1ccc([O-])c(C[NH2+][C@@H](C)C2CCCCC2)n1 ZINC000090717816 135553582 /nfs/dbraw/zinc/55/35/82/135553582.db2.gz FVIOTFHVSTXOCR-LBPRGKRZSA-N 0 3 248.370 3.154 20 0 BGADHN Cc1ccc([O-])c(C[NH2+][C@H](C)C2CCCCC2)n1 ZINC000090717817 360085509 /nfs/dbraw/zinc/08/55/09/360085509.db2.gz FVIOTFHVSTXOCR-GFCCVEGCSA-N 0 3 248.370 3.154 20 0 BGADHN Cc1ccc([O-])c(C[NH2+]C2CCC(C)(C)CC2)n1 ZINC000090720098 360084667 /nfs/dbraw/zinc/08/46/67/360084667.db2.gz OVUDGYIVNGVBCX-UHFFFAOYSA-N 0 3 248.370 3.154 20 0 BGADHN C[C@H]1CCC[C@H](C)C1NCc1ncccc1F ZINC000090721301 345574354 /nfs/dbraw/zinc/57/43/54/345574354.db2.gz OECOHNLRUOHMEK-QWRGUYRKSA-N 0 3 236.334 3.135 20 0 BGADHN C[C@@H]1CCC[C@@H](C)C1NCc1ncccc1F ZINC000090721303 345574491 /nfs/dbraw/zinc/57/44/91/345574491.db2.gz OECOHNLRUOHMEK-GHMZBOCLSA-N 0 3 236.334 3.135 20 0 BGADHN CC(C)=CCC[C@H](C)NCc1ncccc1F ZINC000090721425 343414968 /nfs/dbraw/zinc/41/49/68/343414968.db2.gz ZZSYNGTZPVNHPH-LBPRGKRZSA-N 0 3 236.334 3.445 20 0 BGADHN CC(C)=CCC[C@@H](C)NCc1ncccc1F ZINC000090721429 345574440 /nfs/dbraw/zinc/57/44/40/345574440.db2.gz ZZSYNGTZPVNHPH-GFCCVEGCSA-N 0 3 236.334 3.445 20 0 BGADHN C[C@H](NCc1ncccc1F)C1CCCCC1 ZINC000090721757 345575659 /nfs/dbraw/zinc/57/56/59/345575659.db2.gz DHGGKUDZAZIYLL-NSHDSACASA-N 0 3 236.334 3.279 20 0 BGADHN C[C@@H](NCc1ncccc1F)C1CCCCC1 ZINC000090721760 345575680 /nfs/dbraw/zinc/57/56/80/345575680.db2.gz DHGGKUDZAZIYLL-LLVKDONJSA-N 0 3 236.334 3.279 20 0 BGADHN CCOCCC1(CN[C@@H](C)c2ccco2)CC1 ZINC000090723039 187626800 /nfs/dbraw/zinc/62/68/00/187626800.db2.gz CHMBBWSLFAUOSY-LBPRGKRZSA-N 0 3 237.343 3.137 20 0 BGADHN CCOCCC1(CN[C@H](C)c2ccco2)CC1 ZINC000090723040 384070694 /nfs/dbraw/zinc/07/06/94/384070694.db2.gz CHMBBWSLFAUOSY-GFCCVEGCSA-N 0 3 237.343 3.137 20 0 BGADHN C[C@H](NCC1(C2CC2)CCC1)c1nccs1 ZINC000090724291 384070443 /nfs/dbraw/zinc/07/04/43/384070443.db2.gz KPMGUGXWYWSTER-JTQLQIEISA-N 0 3 236.384 3.374 20 0 BGADHN C[C@@H](NCC1(C2CC2)CCC1)c1nccs1 ZINC000090724292 384072033 /nfs/dbraw/zinc/07/20/33/384072033.db2.gz KPMGUGXWYWSTER-SNVBAGLBSA-N 0 3 236.384 3.374 20 0 BGADHN C[C@H](NCC1(C2CC2)CCC1)c1ccc(F)cn1 ZINC000090724337 345575649 /nfs/dbraw/zinc/57/56/49/345575649.db2.gz RZIPOZDLCOVLKG-NSHDSACASA-N 0 3 248.345 3.452 20 0 BGADHN C[C@@H](NCC1(C2CC2)CCC1)c1ccc(F)cn1 ZINC000090724338 345575449 /nfs/dbraw/zinc/57/54/49/345575449.db2.gz RZIPOZDLCOVLKG-LLVKDONJSA-N 0 3 248.345 3.452 20 0 BGADHN CCC[C@H](NC[C@@H](C)SC)c1ccccn1 ZINC000090725368 384071231 /nfs/dbraw/zinc/07/12/31/384071231.db2.gz IMQJRZJFHXNWPG-NEPJUHHUSA-N 0 3 238.400 3.264 20 0 BGADHN CCC[C@@H](NC[C@@H](C)SC)c1ccccn1 ZINC000090725369 384070773 /nfs/dbraw/zinc/07/07/73/384070773.db2.gz IMQJRZJFHXNWPG-VXGBXAGGSA-N 0 3 238.400 3.264 20 0 BGADHN CCC[C@H](NC[C@H](C)SC)c1ccccn1 ZINC000090725370 384070646 /nfs/dbraw/zinc/07/06/46/384070646.db2.gz IMQJRZJFHXNWPG-RYUDHWBXSA-N 0 3 238.400 3.264 20 0 BGADHN CCC[C@@H](NC[C@H](C)SC)c1ccccn1 ZINC000090725371 384070097 /nfs/dbraw/zinc/07/00/97/384070097.db2.gz IMQJRZJFHXNWPG-NWDGAFQWSA-N 0 3 238.400 3.264 20 0 BGADHN CS[C@@H](C)CN[C@@H](C)c1cccnc1Cl ZINC000090725596 410009203 /nfs/dbraw/zinc/00/92/03/410009203.db2.gz AEJYSZCZBIKMNG-IUCAKERBSA-N 0 3 244.791 3.137 20 0 BGADHN CS[C@H](C)CN[C@@H](C)c1cccnc1Cl ZINC000090725597 175563405 /nfs/dbraw/zinc/56/34/05/175563405.db2.gz AEJYSZCZBIKMNG-BDAKNGLRSA-N 0 3 244.791 3.137 20 0 BGADHN CS[C@@H](C)CN[C@H](C)c1cccnc1Cl ZINC000090725598 385907654 /nfs/dbraw/zinc/90/76/54/385907654.db2.gz AEJYSZCZBIKMNG-DTWKUNHWSA-N 0 3 244.791 3.137 20 0 BGADHN CS[C@H](C)CN[C@H](C)c1cccnc1Cl ZINC000090725599 385907160 /nfs/dbraw/zinc/90/71/60/385907160.db2.gz AEJYSZCZBIKMNG-RKDXNWHRSA-N 0 3 244.791 3.137 20 0 BGADHN CCc1ccc([C@@H](C)NC[C@@H](C)SC)o1 ZINC000090725907 410008706 /nfs/dbraw/zinc/00/87/06/410008706.db2.gz CMVGEGISLVOHBS-NXEZZACHSA-N 0 3 227.373 3.244 20 0 BGADHN CCc1ccc([C@H](C)NC[C@@H](C)SC)o1 ZINC000090725911 410008916 /nfs/dbraw/zinc/00/89/16/410008916.db2.gz CMVGEGISLVOHBS-ZJUUUORDSA-N 0 3 227.373 3.244 20 0 BGADHN CCc1ccc([C@@H](C)NC[C@H](C)SC)o1 ZINC000090725912 410009219 /nfs/dbraw/zinc/00/92/19/410009219.db2.gz CMVGEGISLVOHBS-VHSXEESVSA-N 0 3 227.373 3.244 20 0 BGADHN CCc1ccc([C@H](C)NC[C@H](C)SC)o1 ZINC000090725913 410008740 /nfs/dbraw/zinc/00/87/40/410008740.db2.gz CMVGEGISLVOHBS-UWVGGRQHSA-N 0 3 227.373 3.244 20 0 BGADHN CS[C@@H](C)CN[C@@H](C)c1cc(F)cc(F)c1 ZINC000090726300 384072024 /nfs/dbraw/zinc/07/20/24/384072024.db2.gz YGHLVSKYOKXXIR-IUCAKERBSA-N 0 3 245.338 3.367 20 0 BGADHN CS[C@H](C)CN[C@@H](C)c1cc(F)cc(F)c1 ZINC000090726302 175563700 /nfs/dbraw/zinc/56/37/00/175563700.db2.gz YGHLVSKYOKXXIR-BDAKNGLRSA-N 0 3 245.338 3.367 20 0 BGADHN CS[C@@H](C)CN[C@H](C)c1cc(F)cc(F)c1 ZINC000090726303 384070129 /nfs/dbraw/zinc/07/01/29/384070129.db2.gz YGHLVSKYOKXXIR-DTWKUNHWSA-N 0 3 245.338 3.367 20 0 BGADHN CS[C@H](C)CN[C@H](C)c1cc(F)cc(F)c1 ZINC000090726304 384070912 /nfs/dbraw/zinc/07/09/12/384070912.db2.gz YGHLVSKYOKXXIR-RKDXNWHRSA-N 0 3 245.338 3.367 20 0 BGADHN Cc1noc(C)c1CN[C@@H]1CCC[C@H](C2CC2)C1 ZINC000090736053 360087039 /nfs/dbraw/zinc/08/70/39/360087039.db2.gz POOQLSRCIIYBAG-UONOGXRCSA-N 0 3 248.370 3.350 20 0 BGADHN Cc1noc(C)c1CN[C@H]1CCC[C@H](C2CC2)C1 ZINC000090736054 360086646 /nfs/dbraw/zinc/08/66/46/360086646.db2.gz POOQLSRCIIYBAG-KBPBESRZSA-N 0 3 248.370 3.350 20 0 BGADHN Cc1noc(C)c1CN[C@@H]1CCC[C@@H](C2CC2)C1 ZINC000090736055 360086137 /nfs/dbraw/zinc/08/61/37/360086137.db2.gz POOQLSRCIIYBAG-ZIAGYGMSSA-N 0 3 248.370 3.350 20 0 BGADHN Cc1noc(C)c1CN[C@H]1CCC[C@@H](C2CC2)C1 ZINC000090736056 360086220 /nfs/dbraw/zinc/08/62/20/360086220.db2.gz POOQLSRCIIYBAG-KGLIPLIRSA-N 0 3 248.370 3.350 20 0 BGADHN CC[C@@H](C)C[C@@H](C)[NH2+]Cc1nc(C)ccc1[O-] ZINC000090736094 360086153 /nfs/dbraw/zinc/08/61/53/360086153.db2.gz ZGEZKOZIUXPYOX-ZYHUDNBSSA-N 0 3 236.359 3.010 20 0 BGADHN CC[C@H](C)C[C@@H](C)[NH2+]Cc1nc(C)ccc1[O-] ZINC000090736095 360086757 /nfs/dbraw/zinc/08/67/57/360086757.db2.gz ZGEZKOZIUXPYOX-CMPLNLGQSA-N 0 3 236.359 3.010 20 0 BGADHN CC[C@@H](C)C[C@H](C)[NH2+]Cc1nc(C)ccc1[O-] ZINC000090736096 360086553 /nfs/dbraw/zinc/08/65/53/360086553.db2.gz ZGEZKOZIUXPYOX-PWSUYJOCSA-N 0 3 236.359 3.010 20 0 BGADHN CC[C@H](C)C[C@H](C)[NH2+]Cc1nc(C)ccc1[O-] ZINC000090736097 135553400 /nfs/dbraw/zinc/55/34/00/135553400.db2.gz ZGEZKOZIUXPYOX-JQWIXIFHSA-N 0 3 236.359 3.010 20 0 BGADHN Cc1noc(C)c1[C@@H](C)CN[C@@H](C)c1ccco1 ZINC000090764190 384073063 /nfs/dbraw/zinc/07/30/63/384073063.db2.gz WQHVIFCLEZPEFT-UWVGGRQHSA-N 0 3 248.326 3.339 20 0 BGADHN Cc1noc(C)c1[C@H](C)CN[C@@H](C)c1ccco1 ZINC000090764191 384072466 /nfs/dbraw/zinc/07/24/66/384072466.db2.gz WQHVIFCLEZPEFT-ZJUUUORDSA-N 0 3 248.326 3.339 20 0 BGADHN Cc1noc(C)c1[C@@H](C)CN[C@H](C)c1ccco1 ZINC000090764192 384073555 /nfs/dbraw/zinc/07/35/55/384073555.db2.gz WQHVIFCLEZPEFT-VHSXEESVSA-N 0 3 248.326 3.339 20 0 BGADHN Cc1noc(C)c1[C@H](C)CN[C@H](C)c1ccco1 ZINC000090764195 180479665 /nfs/dbraw/zinc/47/96/65/180479665.db2.gz WQHVIFCLEZPEFT-NXEZZACHSA-N 0 3 248.326 3.339 20 0 BGADHN Cc1ccc([C@@H](C)NCC2(C3CC3)CC2)o1 ZINC000090772709 384073847 /nfs/dbraw/zinc/07/38/47/384073847.db2.gz UPWQDUSYAPULPX-LLVKDONJSA-N 0 3 219.328 3.429 20 0 BGADHN Cc1ccc([C@H](C)NCC2(C3CC3)CC2)o1 ZINC000090772710 384073616 /nfs/dbraw/zinc/07/36/16/384073616.db2.gz UPWQDUSYAPULPX-NSHDSACASA-N 0 3 219.328 3.429 20 0 BGADHN C[C@H](NCC1(C2CC2)CC1)c1ccc(F)cn1 ZINC000090772942 384072848 /nfs/dbraw/zinc/07/28/48/384072848.db2.gz VYZDNFZVRQCIGQ-JTQLQIEISA-N 0 3 234.318 3.062 20 0 BGADHN C[C@@H](NCC1(C2CC2)CC1)c1ccc(F)cn1 ZINC000090772943 384073356 /nfs/dbraw/zinc/07/33/56/384073356.db2.gz VYZDNFZVRQCIGQ-SNVBAGLBSA-N 0 3 234.318 3.062 20 0 BGADHN C[C@H](NCC1(C2CC2)CC1)c1ccco1 ZINC000090773003 385093713 /nfs/dbraw/zinc/09/37/13/385093713.db2.gz HFUBLCXGDSYMOT-JTQLQIEISA-N 0 3 205.301 3.120 20 0 BGADHN C[C@@H](NCC1(C2CC2)CC1)c1ccco1 ZINC000090773004 385092341 /nfs/dbraw/zinc/09/23/41/385092341.db2.gz HFUBLCXGDSYMOT-SNVBAGLBSA-N 0 3 205.301 3.120 20 0 BGADHN C[C@H](NCC(C)(C)C1CCCC1)c1cnccn1 ZINC000090798226 176833334 /nfs/dbraw/zinc/83/33/34/176833334.db2.gz STMPJZTYKIPMMS-LBPRGKRZSA-N 0 3 247.386 3.344 20 0 BGADHN C[C@@H](NCC(C)(C)C1CCCC1)c1cnccn1 ZINC000090798227 384075696 /nfs/dbraw/zinc/07/56/96/384075696.db2.gz STMPJZTYKIPMMS-GFCCVEGCSA-N 0 3 247.386 3.344 20 0 BGADHN Cc1ncc([C@@H](C)NCCC2=CCCC2)c(C)n1 ZINC000090798340 491129773 /nfs/dbraw/zinc/12/97/73/491129773.db2.gz JFYUCSXIKNPGSA-LLVKDONJSA-N 0 3 245.370 3.244 20 0 BGADHN Cc1ncc([C@H](C)NCCC2=CCCC2)c(C)n1 ZINC000090798341 491129764 /nfs/dbraw/zinc/12/97/64/491129764.db2.gz JFYUCSXIKNPGSA-NSHDSACASA-N 0 3 245.370 3.244 20 0 BGADHN C[C@H](NCCC1=CCCC1)c1ccccn1 ZINC000090798397 384074970 /nfs/dbraw/zinc/07/49/70/384074970.db2.gz HQWOSVMZOACSOT-LBPRGKRZSA-N 0 3 216.328 3.233 20 0 BGADHN C[C@@H](NCCC1=CCCC1)c1ccccn1 ZINC000090798398 384076163 /nfs/dbraw/zinc/07/61/63/384076163.db2.gz HQWOSVMZOACSOT-GFCCVEGCSA-N 0 3 216.328 3.233 20 0 BGADHN Cc1ccc([C@@H](C)NCCc2ccncc2C)o1 ZINC000090846719 345576871 /nfs/dbraw/zinc/57/68/71/345576871.db2.gz FVDDDAOZWFRIBF-CYBMUJFWSA-N 0 3 244.338 3.185 20 0 BGADHN Cc1ccc([C@H](C)NCCc2ccncc2C)o1 ZINC000090846720 345576788 /nfs/dbraw/zinc/57/67/88/345576788.db2.gz FVDDDAOZWFRIBF-ZDUSSCGKSA-N 0 3 244.338 3.185 20 0 BGADHN C[C@H](N[C@@H](C)C1CCC1)c1ccc(F)cn1 ZINC000090856574 491129907 /nfs/dbraw/zinc/12/99/07/491129907.db2.gz XSWOOKSJJGJKBH-UWVGGRQHSA-N 0 3 222.307 3.060 20 0 BGADHN C[C@@H](N[C@@H](C)C1CCC1)c1ccc(F)cn1 ZINC000090856576 491129939 /nfs/dbraw/zinc/12/99/39/491129939.db2.gz XSWOOKSJJGJKBH-VHSXEESVSA-N 0 3 222.307 3.060 20 0 BGADHN C[C@@H](N[C@@H](C)c1ccc(F)cn1)C1CCC1 ZINC000090856578 491129932 /nfs/dbraw/zinc/12/99/32/491129932.db2.gz XSWOOKSJJGJKBH-ZJUUUORDSA-N 0 3 222.307 3.060 20 0 BGADHN C[C@@H](N[C@H](C)C1CCC1)c1ccc(F)cn1 ZINC000090856579 491129897 /nfs/dbraw/zinc/12/98/97/491129897.db2.gz XSWOOKSJJGJKBH-NXEZZACHSA-N 0 3 222.307 3.060 20 0 BGADHN CC[C@H](N[C@@H](C)c1ccc(C)o1)[C@@H]1CCCO1 ZINC000090857364 360091050 /nfs/dbraw/zinc/09/10/50/360091050.db2.gz LCXPASQHQBSWSI-OBJOEFQTSA-N 0 3 237.343 3.196 20 0 BGADHN CC[C@@H](N[C@@H](C)c1ccc(C)o1)[C@@H]1CCCO1 ZINC000090857366 360091707 /nfs/dbraw/zinc/09/17/07/360091707.db2.gz LCXPASQHQBSWSI-SCRDCRAPSA-N 0 3 237.343 3.196 20 0 BGADHN CC[C@H](N[C@@H](C)c1ccc(C)o1)[C@H]1CCCO1 ZINC000090857368 360091416 /nfs/dbraw/zinc/09/14/16/360091416.db2.gz LCXPASQHQBSWSI-SGMGOOAPSA-N 0 3 237.343 3.196 20 0 BGADHN CC[C@@H](N[C@@H](C)c1ccc(C)o1)[C@H]1CCCO1 ZINC000090857371 360091062 /nfs/dbraw/zinc/09/10/62/360091062.db2.gz LCXPASQHQBSWSI-OUCADQQQSA-N 0 3 237.343 3.196 20 0 BGADHN CC[C@@H](C)N[C@@H](CC)c1c(C)noc1C ZINC000090886167 259344629 /nfs/dbraw/zinc/34/46/29/259344629.db2.gz PCLYVKVNQAZEOH-KCJUWKMLSA-N 0 3 210.321 3.131 20 0 BGADHN CC[C@H](C)N[C@@H](CC)c1c(C)noc1C ZINC000090886168 259344203 /nfs/dbraw/zinc/34/42/03/259344203.db2.gz PCLYVKVNQAZEOH-KWQFWETISA-N 0 3 210.321 3.131 20 0 BGADHN CC[C@@H](C)N[C@H](CC)c1c(C)noc1C ZINC000090886169 259344599 /nfs/dbraw/zinc/34/45/99/259344599.db2.gz PCLYVKVNQAZEOH-LDYMZIIASA-N 0 3 210.321 3.131 20 0 BGADHN CC[C@@H](N[C@@H](C)CC)c1c(C)noc1C ZINC000090886170 259344546 /nfs/dbraw/zinc/34/45/46/259344546.db2.gz PCLYVKVNQAZEOH-GZMMTYOYSA-N 0 3 210.321 3.131 20 0 BGADHN Cc1nc(CN[C@@H](C)C2CCCC2)c(C)s1 ZINC000090888747 360093908 /nfs/dbraw/zinc/09/39/08/360093908.db2.gz LQZHOISNTISNJY-VIFPVBQESA-N 0 3 238.400 3.428 20 0 BGADHN Cc1nc(CN[C@H](C)C2CCCC2)c(C)s1 ZINC000090888748 360093890 /nfs/dbraw/zinc/09/38/90/360093890.db2.gz LQZHOISNTISNJY-SECBINFHSA-N 0 3 238.400 3.428 20 0 BGADHN CC[C@@H](C)[C@@H](C)NCc1nc(C)sc1C ZINC000090888993 343944069 /nfs/dbraw/zinc/94/40/69/343944069.db2.gz PWZOTGCOOQQDDE-RKDXNWHRSA-N 0 3 226.389 3.284 20 0 BGADHN CC[C@H](C)[C@@H](C)NCc1nc(C)sc1C ZINC000090888994 343944100 /nfs/dbraw/zinc/94/41/00/343944100.db2.gz PWZOTGCOOQQDDE-DTWKUNHWSA-N 0 3 226.389 3.284 20 0 BGADHN CC[C@@H](C)[C@H](C)NCc1nc(C)sc1C ZINC000090888995 343944050 /nfs/dbraw/zinc/94/40/50/343944050.db2.gz PWZOTGCOOQQDDE-BDAKNGLRSA-N 0 3 226.389 3.284 20 0 BGADHN CC[C@H](C)[C@H](C)NCc1nc(C)sc1C ZINC000090888996 343944006 /nfs/dbraw/zinc/94/40/06/343944006.db2.gz PWZOTGCOOQQDDE-IUCAKERBSA-N 0 3 226.389 3.284 20 0 BGADHN C[C@H](NCC1CCC(C)(C)CC1)c1cnccn1 ZINC000090910301 398123360 /nfs/dbraw/zinc/12/33/60/398123360.db2.gz ZUHNGBHFRCJLIF-LBPRGKRZSA-N 0 3 247.386 3.344 20 0 BGADHN C[C@@H](NCC1CCC(C)(C)CC1)c1cnccn1 ZINC000090910302 398123009 /nfs/dbraw/zinc/12/30/09/398123009.db2.gz ZUHNGBHFRCJLIF-GFCCVEGCSA-N 0 3 247.386 3.344 20 0 BGADHN Cc1cccc2[nH]c(CN[C@@H](C)C3CCC3)nc21 ZINC000090948170 345572895 /nfs/dbraw/zinc/57/28/95/345572895.db2.gz LJPOXVLZIFYEOC-NSHDSACASA-N 0 3 243.354 3.150 20 0 BGADHN Cc1cccc2[nH]c(CN[C@H](C)C3CCC3)nc21 ZINC000090948173 345572705 /nfs/dbraw/zinc/57/27/05/345572705.db2.gz LJPOXVLZIFYEOC-LLVKDONJSA-N 0 3 243.354 3.150 20 0 BGADHN CC[C@@H](C)N[C@@H](C)c1cccc(F)c1F ZINC000090963242 398125347 /nfs/dbraw/zinc/12/53/47/398125347.db2.gz AWQXYYLIXZCVBI-BDAKNGLRSA-N 0 3 213.271 3.414 20 0 BGADHN CC[C@H](C)N[C@@H](C)c1cccc(F)c1F ZINC000090963243 171346466 /nfs/dbraw/zinc/34/64/66/171346466.db2.gz AWQXYYLIXZCVBI-IUCAKERBSA-N 0 3 213.271 3.414 20 0 BGADHN CC[C@@H](C)N[C@H](C)c1cccc(F)c1F ZINC000090963244 384078293 /nfs/dbraw/zinc/07/82/93/384078293.db2.gz AWQXYYLIXZCVBI-RKDXNWHRSA-N 0 3 213.271 3.414 20 0 BGADHN CC[C@H](C)N[C@H](C)c1cccc(F)c1F ZINC000090963245 171348154 /nfs/dbraw/zinc/34/81/54/171348154.db2.gz AWQXYYLIXZCVBI-DTWKUNHWSA-N 0 3 213.271 3.414 20 0 BGADHN C[C@H](N[C@@H](C)C1CC1)c1cccc(F)c1F ZINC000090963426 384086173 /nfs/dbraw/zinc/08/61/73/384086173.db2.gz HUJLWXDZPOEBFJ-IUCAKERBSA-N 0 3 225.282 3.414 20 0 BGADHN C[C@@H](N[C@@H](C)C1CC1)c1cccc(F)c1F ZINC000090963427 384087092 /nfs/dbraw/zinc/08/70/92/384087092.db2.gz HUJLWXDZPOEBFJ-DTWKUNHWSA-N 0 3 225.282 3.414 20 0 BGADHN C[C@@H](N[C@@H](C)c1cccc(F)c1F)C1CC1 ZINC000090963428 384087546 /nfs/dbraw/zinc/08/75/46/384087546.db2.gz HUJLWXDZPOEBFJ-BDAKNGLRSA-N 0 3 225.282 3.414 20 0 BGADHN C[C@@H](N[C@H](C)C1CC1)c1cccc(F)c1F ZINC000090963429 384085978 /nfs/dbraw/zinc/08/59/78/384085978.db2.gz HUJLWXDZPOEBFJ-RKDXNWHRSA-N 0 3 225.282 3.414 20 0 BGADHN CC[C@@H](COC)N[C@@H](C)c1cccc(F)c1F ZINC000090963578 384087698 /nfs/dbraw/zinc/08/76/98/384087698.db2.gz KFLBOURWFVGXAE-UWVGGRQHSA-N 0 3 243.297 3.040 20 0 BGADHN CC[C@H](COC)N[C@@H](C)c1cccc(F)c1F ZINC000090963579 384087466 /nfs/dbraw/zinc/08/74/66/384087466.db2.gz KFLBOURWFVGXAE-VHSXEESVSA-N 0 3 243.297 3.040 20 0 BGADHN CC[C@@H](COC)N[C@H](C)c1cccc(F)c1F ZINC000090963580 384086076 /nfs/dbraw/zinc/08/60/76/384086076.db2.gz KFLBOURWFVGXAE-ZJUUUORDSA-N 0 3 243.297 3.040 20 0 BGADHN CC[C@H](COC)N[C@H](C)c1cccc(F)c1F ZINC000090963581 384085201 /nfs/dbraw/zinc/08/52/01/384085201.db2.gz KFLBOURWFVGXAE-NXEZZACHSA-N 0 3 243.297 3.040 20 0 BGADHN CCc1ccc([C@H](C)NCc2cc[nH]c2)cc1 ZINC000090994396 384089280 /nfs/dbraw/zinc/08/92/80/384089280.db2.gz JJOXJKKWCAPEBT-LBPRGKRZSA-N 0 3 228.339 3.428 20 0 BGADHN CC[C@H](NCc1cc[nH]c1)c1ccccc1OC ZINC000090994448 631502805 /nfs/dbraw/zinc/50/28/05/631502805.db2.gz XWMRTNMGICWOEZ-AWEZNQCLSA-N 0 3 244.338 3.264 20 0 BGADHN CC[C@@H](NCc1cc[nH]c1)c1ccccc1OC ZINC000090994449 631501232 /nfs/dbraw/zinc/50/12/32/631501232.db2.gz XWMRTNMGICWOEZ-CQSZACIVSA-N 0 3 244.338 3.264 20 0 BGADHN COc1ccc([C@H](C)NCc2cc[nH]c2)cc1F ZINC000090994539 360098512 /nfs/dbraw/zinc/09/85/12/360098512.db2.gz IUXDZJUQKFTXKZ-JTQLQIEISA-N 0 3 248.301 3.013 20 0 BGADHN COc1ccc([C@@H](C)NCc2cc[nH]c2)cc1F ZINC000090994540 360097906 /nfs/dbraw/zinc/09/79/06/360097906.db2.gz IUXDZJUQKFTXKZ-SNVBAGLBSA-N 0 3 248.301 3.013 20 0 BGADHN FC(F)(F)[C@@H]1CCCC[C@@H]1NCc1cc[nH]c1 ZINC000090994581 369004185 /nfs/dbraw/zinc/00/41/85/369004185.db2.gz SMPMYKDQEMZPFQ-MNOVXSKESA-N 0 3 246.276 3.225 20 0 BGADHN c1cc(CN[C@@H]2CCSc3ccccc32)c[nH]1 ZINC000090994636 183453543 /nfs/dbraw/zinc/45/35/43/183453543.db2.gz OGLFIYLKFANLDV-CYBMUJFWSA-N 0 3 244.363 3.341 20 0 BGADHN c1cc(CN[C@H]2CCSc3ccccc32)c[nH]1 ZINC000090994637 384088751 /nfs/dbraw/zinc/08/87/51/384088751.db2.gz OGLFIYLKFANLDV-ZDUSSCGKSA-N 0 3 244.363 3.341 20 0 BGADHN CC(C)c1ccc(CNCc2cc[nH]c2)cc1 ZINC000090994784 384090224 /nfs/dbraw/zinc/09/02/24/384090224.db2.gz PLMYHVPIGDQCQZ-UHFFFAOYSA-N 0 3 228.339 3.428 20 0 BGADHN C[C@H](NCc1ccn(C)c1)c1ccc(F)cc1 ZINC000091007158 384088558 /nfs/dbraw/zinc/08/85/58/384088558.db2.gz RVDKRWOZASBAEU-NSHDSACASA-N 0 3 232.302 3.015 20 0 BGADHN C[C@@H](NCc1ccn(C)c1)c1ccc(F)cc1 ZINC000091007159 384088526 /nfs/dbraw/zinc/08/85/26/384088526.db2.gz RVDKRWOZASBAEU-LLVKDONJSA-N 0 3 232.302 3.015 20 0 BGADHN Cc1ccccc1[C@@H](C)NCc1ccn(C)c1 ZINC000091007216 179321708 /nfs/dbraw/zinc/32/17/08/179321708.db2.gz KBAVRUHSVNHQOY-CYBMUJFWSA-N 0 3 228.339 3.184 20 0 BGADHN Cc1ccccc1[C@H](C)NCc1ccn(C)c1 ZINC000091007218 179338650 /nfs/dbraw/zinc/33/86/50/179338650.db2.gz KBAVRUHSVNHQOY-ZDUSSCGKSA-N 0 3 228.339 3.184 20 0 BGADHN Cn1ccc(CN[C@@H]2CCCc3ccccc32)c1 ZINC000091007256 384090058 /nfs/dbraw/zinc/09/00/58/384090058.db2.gz APODSAITGCRRAK-MRXNPFEDSA-N 0 3 240.350 3.192 20 0 BGADHN Cn1ccc(CN[C@H]2CCCc3ccccc32)c1 ZINC000091007258 384089766 /nfs/dbraw/zinc/08/97/66/384089766.db2.gz APODSAITGCRRAK-INIZCTEOSA-N 0 3 240.350 3.192 20 0 BGADHN C[C@H](NCc1ccn(C)c1)c1cccc(F)c1 ZINC000091007333 384090650 /nfs/dbraw/zinc/09/06/50/384090650.db2.gz FIVWVWNEHZAVRL-NSHDSACASA-N 0 3 232.302 3.015 20 0 BGADHN C[C@@H](NCc1ccn(C)c1)c1cccc(F)c1 ZINC000091007335 384090637 /nfs/dbraw/zinc/09/06/37/384090637.db2.gz FIVWVWNEHZAVRL-LLVKDONJSA-N 0 3 232.302 3.015 20 0 BGADHN CCc1ccc([C@@H](C)NCc2ccn(C)c2)cc1 ZINC000091007642 384089255 /nfs/dbraw/zinc/08/92/55/384089255.db2.gz PDTXQJNQWUGGGM-CYBMUJFWSA-N 0 3 242.366 3.438 20 0 BGADHN CCc1ccc([C@H](C)NCc2ccn(C)c2)cc1 ZINC000091007644 384090004 /nfs/dbraw/zinc/09/00/04/384090004.db2.gz PDTXQJNQWUGGGM-ZDUSSCGKSA-N 0 3 242.366 3.438 20 0 BGADHN Cn1ccc(CN[C@@H](c2ccccc2)C2CC2)c1 ZINC000091008050 360097762 /nfs/dbraw/zinc/09/77/62/360097762.db2.gz KDOAOEVXKTVUQA-INIZCTEOSA-N 0 3 240.350 3.266 20 0 BGADHN Cn1ccc(CN[C@H](c2ccccc2)C2CC2)c1 ZINC000091008051 360097799 /nfs/dbraw/zinc/09/77/99/360097799.db2.gz KDOAOEVXKTVUQA-MRXNPFEDSA-N 0 3 240.350 3.266 20 0 BGADHN Cc1ccc(C)c([C@@H](C)NCc2ccn(C)c2)c1 ZINC000091008176 135557203 /nfs/dbraw/zinc/55/72/03/135557203.db2.gz ZLIFOSSBNVVUSX-CQSZACIVSA-N 0 3 242.366 3.493 20 0 BGADHN Cc1ccc(C)c([C@H](C)NCc2ccn(C)c2)c1 ZINC000091008178 360098142 /nfs/dbraw/zinc/09/81/42/360098142.db2.gz ZLIFOSSBNVVUSX-AWEZNQCLSA-N 0 3 242.366 3.493 20 0 BGADHN Cc1ccc([C@@H](C)NCc2ccn(C)c2)cc1 ZINC000091008513 384093221 /nfs/dbraw/zinc/09/32/21/384093221.db2.gz DKWMZHJOHYQRPM-CYBMUJFWSA-N 0 3 228.339 3.184 20 0 BGADHN Cc1ccc([C@H](C)NCc2ccn(C)c2)cc1 ZINC000091008515 384093780 /nfs/dbraw/zinc/09/37/80/384093780.db2.gz DKWMZHJOHYQRPM-ZDUSSCGKSA-N 0 3 228.339 3.184 20 0 BGADHN Cc1ccc([C@@H](C)NCc2ccn(C)c2)c(C)c1 ZINC000091008523 384094237 /nfs/dbraw/zinc/09/42/37/384094237.db2.gz JXFNHHHRHSTXTF-CQSZACIVSA-N 0 3 242.366 3.493 20 0 BGADHN Cc1ccc([C@H](C)NCc2ccn(C)c2)c(C)c1 ZINC000091008524 384093766 /nfs/dbraw/zinc/09/37/66/384093766.db2.gz JXFNHHHRHSTXTF-AWEZNQCLSA-N 0 3 242.366 3.493 20 0 BGADHN Cn1ccc(CN[C@@H]2CCCc3sccc32)c1 ZINC000091008829 384091743 /nfs/dbraw/zinc/09/17/43/384091743.db2.gz JIEFMNOFNOETOX-CYBMUJFWSA-N 0 3 246.379 3.254 20 0 BGADHN Cn1ccc(CN[C@H]2CCCc3sccc32)c1 ZINC000091008830 384092997 /nfs/dbraw/zinc/09/29/97/384092997.db2.gz JIEFMNOFNOETOX-ZDUSSCGKSA-N 0 3 246.379 3.254 20 0 BGADHN CC(C)=CCN1CCC[C@H]1c1c(C)n[nH]c1C ZINC000091080503 384099224 /nfs/dbraw/zinc/09/92/24/384099224.db2.gz SHMZNKFFCONGEN-ZDUSSCGKSA-N 0 3 233.359 3.130 20 0 BGADHN CC(C)=CCN1CCC[C@@H]1c1c(C)n[nH]c1C ZINC000091080504 384099600 /nfs/dbraw/zinc/09/96/00/384099600.db2.gz SHMZNKFFCONGEN-CYBMUJFWSA-N 0 3 233.359 3.130 20 0 BGADHN CC[C@@H](CSC)N(C)Cc1cccc(F)c1 ZINC000091097284 360104017 /nfs/dbraw/zinc/10/40/17/360104017.db2.gz PYCSMALVQZEBSG-ZDUSSCGKSA-N 0 3 241.375 3.399 20 0 BGADHN CC[C@H](CSC)N(C)Cc1cccc(F)c1 ZINC000091097285 360103640 /nfs/dbraw/zinc/10/36/40/360103640.db2.gz PYCSMALVQZEBSG-CYBMUJFWSA-N 0 3 241.375 3.399 20 0 BGADHN CC[C@@H](CSC)N(C)Cc1cnc(C)s1 ZINC000091097335 384102561 /nfs/dbraw/zinc/10/25/61/384102561.db2.gz XAZOWDACEVFISF-JTQLQIEISA-N 0 3 244.429 3.025 20 0 BGADHN CC[C@H](CSC)N(C)Cc1cnc(C)s1 ZINC000091097336 384102408 /nfs/dbraw/zinc/10/24/08/384102408.db2.gz XAZOWDACEVFISF-SNVBAGLBSA-N 0 3 244.429 3.025 20 0 BGADHN CC[C@@H](CSC)N(C)Cc1ccccc1F ZINC000091099195 360103666 /nfs/dbraw/zinc/10/36/66/360103666.db2.gz NRRMPXXGPJMEMS-LBPRGKRZSA-N 0 3 241.375 3.399 20 0 BGADHN CC[C@H](CSC)N(C)Cc1ccccc1F ZINC000091099196 360103767 /nfs/dbraw/zinc/10/37/67/360103767.db2.gz NRRMPXXGPJMEMS-GFCCVEGCSA-N 0 3 241.375 3.399 20 0 BGADHN CC(C)[C@H](NC[C@@H](C)O)c1ccccc1Cl ZINC000091261325 360110323 /nfs/dbraw/zinc/11/03/23/360110323.db2.gz DGVQRDZSWKCCFM-MFKMUULPSA-N 0 3 241.762 3.008 20 0 BGADHN CC(C)[C@@H](NC[C@@H](C)O)c1ccccc1Cl ZINC000091261327 360110701 /nfs/dbraw/zinc/11/07/01/360110701.db2.gz DGVQRDZSWKCCFM-ZWNOBZJWSA-N 0 3 241.762 3.008 20 0 BGADHN CC(C)[C@H](NC[C@H](C)O)c1ccccc1Cl ZINC000091261329 360110477 /nfs/dbraw/zinc/11/04/77/360110477.db2.gz DGVQRDZSWKCCFM-GWCFXTLKSA-N 0 3 241.762 3.008 20 0 BGADHN CC(C)[C@@H](NC[C@H](C)O)c1ccccc1Cl ZINC000091261331 360110733 /nfs/dbraw/zinc/11/07/33/360110733.db2.gz DGVQRDZSWKCCFM-GXFFZTMASA-N 0 3 241.762 3.008 20 0 BGADHN C[C@H](NC1CC1)c1nc2ccc(Cl)cc2n1C ZINC000091261580 384081390 /nfs/dbraw/zinc/08/13/90/384081390.db2.gz HQKQCCDYCHLXPM-QMMMGPOBSA-N 0 3 249.745 3.040 20 0 BGADHN C[C@@H](NC1CC1)c1nc2ccc(Cl)cc2n1C ZINC000091261582 384081249 /nfs/dbraw/zinc/08/12/49/384081249.db2.gz HQKQCCDYCHLXPM-MRVPVSSYSA-N 0 3 249.745 3.040 20 0 BGADHN CC(C)[C@H](NCCCO)c1ccccc1Cl ZINC000091262377 360110785 /nfs/dbraw/zinc/11/07/85/360110785.db2.gz FDAXZZWKMDSSSX-ZDUSSCGKSA-N 0 3 241.762 3.009 20 0 BGADHN CC(C)[C@@H](NCCCO)c1ccccc1Cl ZINC000091262381 360110412 /nfs/dbraw/zinc/11/04/12/360110412.db2.gz FDAXZZWKMDSSSX-CYBMUJFWSA-N 0 3 241.762 3.009 20 0 BGADHN CCn1c2ccccc2nc1[C@@H](C)NC(C)C ZINC000091262533 384111150 /nfs/dbraw/zinc/11/11/50/384111150.db2.gz CUIWVYPWYTVJBA-LLVKDONJSA-N 0 3 231.343 3.115 20 0 BGADHN CCn1c2ccccc2nc1[C@H](C)NC(C)C ZINC000091262535 188319045 /nfs/dbraw/zinc/31/90/45/188319045.db2.gz CUIWVYPWYTVJBA-NSHDSACASA-N 0 3 231.343 3.115 20 0 BGADHN COCCN[C@H](c1ccccc1Cl)C(C)C ZINC000091262660 384112070 /nfs/dbraw/zinc/11/20/70/384112070.db2.gz WUXBMKVPNAJDTJ-ZDUSSCGKSA-N 0 3 241.762 3.273 20 0 BGADHN COCCN[C@@H](c1ccccc1Cl)C(C)C ZINC000091262662 256576259 /nfs/dbraw/zinc/57/62/59/256576259.db2.gz WUXBMKVPNAJDTJ-CYBMUJFWSA-N 0 3 241.762 3.273 20 0 BGADHN CC(C)[C@H](NCCC(F)(F)F)c1cccnc1 ZINC000091368812 345591735 /nfs/dbraw/zinc/59/17/35/345591735.db2.gz PYWMZLOSZADKQA-NSHDSACASA-N 0 3 246.276 3.321 20 0 BGADHN CC(C)[C@@H](NCCC(F)(F)F)c1cccnc1 ZINC000091368814 345591679 /nfs/dbraw/zinc/59/16/79/345591679.db2.gz PYWMZLOSZADKQA-LLVKDONJSA-N 0 3 246.276 3.321 20 0 BGADHN FCCCN[C@@H](c1ccccn1)C1CCCC1 ZINC000091399139 345591640 /nfs/dbraw/zinc/59/16/40/345591640.db2.gz VXTCQYSMIACZDD-CQSZACIVSA-N 0 3 236.334 3.262 20 0 BGADHN FCCCN[C@H](c1ccccn1)C1CCCC1 ZINC000091399141 345591634 /nfs/dbraw/zinc/59/16/34/345591634.db2.gz VXTCQYSMIACZDD-AWEZNQCLSA-N 0 3 236.334 3.262 20 0 BGADHN CC[C@@H](C)N[C@@H](COC)c1ccc(F)c(F)c1 ZINC000091413977 384126195 /nfs/dbraw/zinc/12/61/95/384126195.db2.gz IDVWITMVFNIANP-RNCFNFMXSA-N 0 3 243.297 3.040 20 0 BGADHN CC[C@H](C)N[C@@H](COC)c1ccc(F)c(F)c1 ZINC000091413978 171346636 /nfs/dbraw/zinc/34/66/36/171346636.db2.gz IDVWITMVFNIANP-ZANVPECISA-N 0 3 243.297 3.040 20 0 BGADHN CC[C@@H](C)N[C@H](COC)c1ccc(F)c(F)c1 ZINC000091413979 170758451 /nfs/dbraw/zinc/75/84/51/170758451.db2.gz IDVWITMVFNIANP-NOZJJQNGSA-N 0 3 243.297 3.040 20 0 BGADHN CC[C@H](C)N[C@H](COC)c1ccc(F)c(F)c1 ZINC000091413980 171348684 /nfs/dbraw/zinc/34/86/84/171348684.db2.gz IDVWITMVFNIANP-TVQRCGJNSA-N 0 3 243.297 3.040 20 0 BGADHN FC(F)(F)CCN[C@@H]1CCCc2cccnc21 ZINC000091661616 491131461 /nfs/dbraw/zinc/13/14/61/491131461.db2.gz JYTZBWOFSIPOAT-SNVBAGLBSA-N 0 3 244.260 3.001 20 0 BGADHN FC(F)(F)CCN[C@H]1CCCc2cccnc21 ZINC000091661617 491131470 /nfs/dbraw/zinc/13/14/70/491131470.db2.gz JYTZBWOFSIPOAT-JTQLQIEISA-N 0 3 244.260 3.001 20 0 BGADHN CCOC1CCN(Cc2ccc(C)s2)CC1 ZINC000091677121 491131573 /nfs/dbraw/zinc/13/15/73/491131573.db2.gz IYCAUOKSSDKKIC-UHFFFAOYSA-N 0 3 239.384 3.057 20 0 BGADHN CCOC1CCN(Cc2sccc2C)CC1 ZINC000091678519 491131561 /nfs/dbraw/zinc/13/15/61/491131561.db2.gz FTOQSGLKPYMZNC-UHFFFAOYSA-N 0 3 239.384 3.057 20 0 BGADHN CCOC1CCN(Cc2ccc(C)c(C)c2)CC1 ZINC000091678556 491131579 /nfs/dbraw/zinc/13/15/79/491131579.db2.gz XPADTLAOCIFUJW-UHFFFAOYSA-N 0 3 247.382 3.304 20 0 BGADHN C[C@@H](c1ccccn1)N(C)[C@H]1C=CCCC1 ZINC000091701865 176026815 /nfs/dbraw/zinc/02/68/15/176026815.db2.gz TXRVHCCUWZGIQF-STQMWFEESA-N 0 3 216.328 3.183 20 0 BGADHN C[C@H](c1ccccn1)N(C)[C@H]1C=CCCC1 ZINC000091701866 177043884 /nfs/dbraw/zinc/04/38/84/177043884.db2.gz TXRVHCCUWZGIQF-OLZOCXBDSA-N 0 3 216.328 3.183 20 0 BGADHN CCCCCN(C)[C@@H](C)c1ccccn1 ZINC000091703918 384140365 /nfs/dbraw/zinc/14/03/65/384140365.db2.gz HKWUWSWAUMBBKJ-LBPRGKRZSA-N 0 3 206.333 3.265 20 0 BGADHN CCCCCN(C)[C@H](C)c1ccccn1 ZINC000091703919 384141279 /nfs/dbraw/zinc/14/12/79/384141279.db2.gz HKWUWSWAUMBBKJ-GFCCVEGCSA-N 0 3 206.333 3.265 20 0 BGADHN C[C@@H](N[C@@H](C)c1nccs1)C(C)(C)C ZINC000091723886 369019008 /nfs/dbraw/zinc/01/90/08/369019008.db2.gz XTGWDWOLDOWZNM-DTWKUNHWSA-N 0 3 212.362 3.228 20 0 BGADHN C[C@@H](N[C@H](C)C(C)(C)C)c1nccs1 ZINC000091723888 369019335 /nfs/dbraw/zinc/01/93/35/369019335.db2.gz XTGWDWOLDOWZNM-RKDXNWHRSA-N 0 3 212.362 3.228 20 0 BGADHN CCSCC[C@@H](C)N[C@@H](C)c1nccs1 ZINC000091731248 384106684 /nfs/dbraw/zinc/10/66/84/384106684.db2.gz WYMBSOCRMSJJKJ-ZJUUUORDSA-N 0 3 244.429 3.325 20 0 BGADHN CCSCC[C@H](C)N[C@@H](C)c1nccs1 ZINC000091731250 384106403 /nfs/dbraw/zinc/10/64/03/384106403.db2.gz WYMBSOCRMSJJKJ-UWVGGRQHSA-N 0 3 244.429 3.325 20 0 BGADHN CCSCC[C@@H](C)N[C@H](C)c1nccs1 ZINC000091731252 384106345 /nfs/dbraw/zinc/10/63/45/384106345.db2.gz WYMBSOCRMSJJKJ-NXEZZACHSA-N 0 3 244.429 3.325 20 0 BGADHN CCSCC[C@H](C)N[C@H](C)c1nccs1 ZINC000091731254 384106779 /nfs/dbraw/zinc/10/67/79/384106779.db2.gz WYMBSOCRMSJJKJ-VHSXEESVSA-N 0 3 244.429 3.325 20 0 BGADHN CCC1(CN[C@@H](C)c2nccs2)CCC1 ZINC000091734668 384024277 /nfs/dbraw/zinc/02/42/77/384024277.db2.gz HRUUWEDQUKUFEC-JTQLQIEISA-N 0 3 224.373 3.374 20 0 BGADHN CCC1(CN[C@H](C)c2nccs2)CCC1 ZINC000091734670 256580461 /nfs/dbraw/zinc/58/04/61/256580461.db2.gz HRUUWEDQUKUFEC-SNVBAGLBSA-N 0 3 224.373 3.374 20 0 BGADHN C[C@H](NC1CC=CC1)c1nc2c(s1)CCCC2 ZINC000091736886 491131586 /nfs/dbraw/zinc/13/15/86/491131586.db2.gz YWRDLJZPNQGAEG-JTQLQIEISA-N 0 3 248.395 3.391 20 0 BGADHN C[C@@H](NC1CC=CC1)c1nc2c(s1)CCCC2 ZINC000091736889 491131584 /nfs/dbraw/zinc/13/15/84/491131584.db2.gz YWRDLJZPNQGAEG-SNVBAGLBSA-N 0 3 248.395 3.391 20 0 BGADHN CO[C@@H]1CCCN(Cc2coc3ccccc23)C1 ZINC000091772368 360128372 /nfs/dbraw/zinc/12/83/72/360128372.db2.gz SRROYVADMPHDMD-CYBMUJFWSA-N 0 3 245.322 3.044 20 0 BGADHN CO[C@H]1CCCN(Cc2coc3ccccc23)C1 ZINC000091772369 360128185 /nfs/dbraw/zinc/12/81/85/360128185.db2.gz SRROYVADMPHDMD-ZDUSSCGKSA-N 0 3 245.322 3.044 20 0 BGADHN CO[C@H]1CCCN(C/C(C)=C/c2ccccc2)C1 ZINC000091772608 384143996 /nfs/dbraw/zinc/14/39/96/384143996.db2.gz NIXGBBNNMONONB-UKYUDJEDSA-N 0 3 245.366 3.201 20 0 BGADHN CO[C@@H]1CCCN(C/C(C)=C/c2ccccc2)C1 ZINC000091772609 384142849 /nfs/dbraw/zinc/14/28/49/384142849.db2.gz NIXGBBNNMONONB-WSYSLRRZSA-N 0 3 245.366 3.201 20 0 BGADHN CC[C@@H](C)CN(C)Cc1ccc(Cl)o1 ZINC000091795971 345610980 /nfs/dbraw/zinc/61/09/80/345610980.db2.gz DMLQDVKGYNKSFR-SECBINFHSA-N 0 3 215.724 3.411 20 0 BGADHN CC[C@H](C)CN(C)Cc1ccc(Cl)o1 ZINC000091795975 344285213 /nfs/dbraw/zinc/28/52/13/344285213.db2.gz DMLQDVKGYNKSFR-VIFPVBQESA-N 0 3 215.724 3.411 20 0 BGADHN CC[C@@H](C)CN(C)Cc1sccc1OC ZINC000091796190 345610912 /nfs/dbraw/zinc/61/09/12/345610912.db2.gz HQQXAIKAQVLOKL-SNVBAGLBSA-N 0 3 227.373 3.235 20 0 BGADHN CC[C@H](C)CN(C)Cc1sccc1OC ZINC000091796195 345611317 /nfs/dbraw/zinc/61/13/17/345611317.db2.gz HQQXAIKAQVLOKL-JTQLQIEISA-N 0 3 227.373 3.235 20 0 BGADHN CC[C@@H](C)CN(C)Cc1cnc2cc(C)ccn12 ZINC000091796338 360130326 /nfs/dbraw/zinc/13/03/26/360130326.db2.gz LNOAVXGCCVBJJR-GFCCVEGCSA-N 0 3 245.370 3.121 20 0 BGADHN CC[C@H](C)CN(C)Cc1cnc2cc(C)ccn12 ZINC000091796343 360131122 /nfs/dbraw/zinc/13/11/22/360131122.db2.gz LNOAVXGCCVBJJR-LBPRGKRZSA-N 0 3 245.370 3.121 20 0 BGADHN CC[C@@H](C)CN(C)Cc1cnc2c(C)cccn12 ZINC000091796452 360130977 /nfs/dbraw/zinc/13/09/77/360130977.db2.gz ODIODNQEQKOCNM-GFCCVEGCSA-N 0 3 245.370 3.121 20 0 BGADHN CC[C@H](C)CN(C)Cc1cnc2c(C)cccn12 ZINC000091796456 360130433 /nfs/dbraw/zinc/13/04/33/360130433.db2.gz ODIODNQEQKOCNM-LBPRGKRZSA-N 0 3 245.370 3.121 20 0 BGADHN CC[C@@H](C)CN(C)Cc1c[nH]nc1C(C)(C)C ZINC000091796551 384048023 /nfs/dbraw/zinc/04/80/23/384048023.db2.gz SRALYWRASGVMTR-LLVKDONJSA-N 0 3 237.391 3.185 20 0 BGADHN CC[C@H](C)CN(C)Cc1c[nH]nc1C(C)(C)C ZINC000091796561 384048629 /nfs/dbraw/zinc/04/86/29/384048629.db2.gz SRALYWRASGVMTR-NSHDSACASA-N 0 3 237.391 3.185 20 0 BGADHN CC[C@@H](C)CN(C)Cc1ccccc1NC(C)=O ZINC000091796759 384147859 /nfs/dbraw/zinc/14/78/59/384147859.db2.gz JGUWJZFOENTRMT-GFCCVEGCSA-N 0 3 248.370 3.123 20 0 BGADHN CC[C@H](C)CN(C)Cc1ccccc1NC(C)=O ZINC000091796763 171273824 /nfs/dbraw/zinc/27/38/24/171273824.db2.gz JGUWJZFOENTRMT-LBPRGKRZSA-N 0 3 248.370 3.123 20 0 BGADHN CC[C@@H](C)CN(C)Cc1cnc(C2CC2)s1 ZINC000091796788 384987816 /nfs/dbraw/zinc/98/78/16/384987816.db2.gz PUAJYGWBIDYFOP-SNVBAGLBSA-N 0 3 238.400 3.498 20 0 BGADHN CC[C@H](C)CN(C)Cc1cnc(C2CC2)s1 ZINC000091796792 384990065 /nfs/dbraw/zinc/99/00/65/384990065.db2.gz PUAJYGWBIDYFOP-JTQLQIEISA-N 0 3 238.400 3.498 20 0 BGADHN CC[C@@H](C)CN(C)Cc1cnn(C(C)(C)C)c1 ZINC000091796861 360130398 /nfs/dbraw/zinc/13/03/98/360130398.db2.gz IOSFYSLTLPFSBJ-GFCCVEGCSA-N 0 3 237.391 3.116 20 0 BGADHN CC[C@H](C)CN(C)Cc1cnn(C(C)(C)C)c1 ZINC000091796863 360130202 /nfs/dbraw/zinc/13/02/02/360130202.db2.gz IOSFYSLTLPFSBJ-LBPRGKRZSA-N 0 3 237.391 3.116 20 0 BGADHN CC[C@@H](C)CN(C)Cc1cnc2ccc(C)cn12 ZINC000091796928 360130549 /nfs/dbraw/zinc/13/05/49/360130549.db2.gz IIZPWQHTUDWGQA-GFCCVEGCSA-N 0 3 245.370 3.121 20 0 BGADHN CC[C@H](C)CN(C)Cc1cnc2ccc(C)cn12 ZINC000091796930 360130816 /nfs/dbraw/zinc/13/08/16/360130816.db2.gz IIZPWQHTUDWGQA-LBPRGKRZSA-N 0 3 245.370 3.121 20 0 BGADHN CCOc1ccc(C2=CCN(CC)CC2)cc1 ZINC000091813495 360131832 /nfs/dbraw/zinc/13/18/32/360131832.db2.gz HIXISDQIPFPFQY-UHFFFAOYSA-N 0 3 231.339 3.194 20 0 BGADHN Cc1noc(C)c1CN(C)C[C@H]1CC=CCC1 ZINC000091814569 360131855 /nfs/dbraw/zinc/13/18/55/360131855.db2.gz VENXJVWLNMUSAU-ZDUSSCGKSA-N 0 3 234.343 3.080 20 0 BGADHN Cc1noc(C)c1CN(C)C[C@@H]1CC=CCC1 ZINC000091814570 360131858 /nfs/dbraw/zinc/13/18/58/360131858.db2.gz VENXJVWLNMUSAU-CYBMUJFWSA-N 0 3 234.343 3.080 20 0 BGADHN C[C@@H]1CCN(Cc2ccc(Cl)o2)[C@@H]1C ZINC000091859172 345611088 /nfs/dbraw/zinc/61/10/88/345611088.db2.gz JSEZRGRJUDYDJJ-RKDXNWHRSA-N 0 3 213.708 3.163 20 0 BGADHN C[C@@H]1[C@@H](C)CCN1Cc1ccc(Cl)o1 ZINC000091859175 345610612 /nfs/dbraw/zinc/61/06/12/345610612.db2.gz JSEZRGRJUDYDJJ-DTWKUNHWSA-N 0 3 213.708 3.163 20 0 BGADHN C[C@@H]1CCN(Cc2cc(F)cc(F)c2)[C@@H]1C ZINC000091859233 360133130 /nfs/dbraw/zinc/13/31/30/360133130.db2.gz WZUUUHAIGKYWQA-NXEZZACHSA-N 0 3 225.282 3.195 20 0 BGADHN C[C@@H]1[C@@H](C)CCN1Cc1cc(F)cc(F)c1 ZINC000091859234 360133221 /nfs/dbraw/zinc/13/32/21/360133221.db2.gz WZUUUHAIGKYWQA-VHSXEESVSA-N 0 3 225.282 3.195 20 0 BGADHN CC(C)c1ncc(CN2CC[C@@H](C)[C@H]2C)s1 ZINC000091859345 345611214 /nfs/dbraw/zinc/61/12/14/345611214.db2.gz DLDRMCHAFHPJQY-GHMZBOCLSA-N 0 3 238.400 3.497 20 0 BGADHN CC(C)c1ncc(CN2CC[C@H](C)[C@H]2C)s1 ZINC000091859347 345610837 /nfs/dbraw/zinc/61/08/37/345610837.db2.gz DLDRMCHAFHPJQY-WDEREUQCSA-N 0 3 238.400 3.497 20 0 BGADHN C[C@@H]1CCN(Cc2cnc(C3CC3)s2)[C@@H]1C ZINC000091860395 345611688 /nfs/dbraw/zinc/61/16/88/345611688.db2.gz IHBRHPMQCPMKNC-NXEZZACHSA-N 0 3 236.384 3.251 20 0 BGADHN C[C@@H]1[C@@H](C)CCN1Cc1cnc(C2CC2)s1 ZINC000091860398 345611590 /nfs/dbraw/zinc/61/15/90/345611590.db2.gz IHBRHPMQCPMKNC-VHSXEESVSA-N 0 3 236.384 3.251 20 0 BGADHN C[C@@H]1C[C@H](C)CCN(Cc2cncs2)C1 ZINC000091893152 176177796 /nfs/dbraw/zinc/17/77/96/176177796.db2.gz KLJRLFMSYIAFPK-GHMZBOCLSA-N 0 3 224.373 3.011 20 0 BGADHN C[C@H]1CCN(Cc2cncs2)C[C@H](C)C1 ZINC000091893154 177166473 /nfs/dbraw/zinc/16/64/73/177166473.db2.gz KLJRLFMSYIAFPK-WDEREUQCSA-N 0 3 224.373 3.011 20 0 BGADHN CCc1ccc(CN(C)[C@@H](C)C2(C)CC2)o1 ZINC000091900232 360135141 /nfs/dbraw/zinc/13/51/41/360135141.db2.gz GDVWCWZHLCRXJU-NSHDSACASA-N 0 3 221.344 3.462 20 0 BGADHN CCc1ccc(CN(C)[C@H](C)C2(C)CC2)o1 ZINC000091900234 360135287 /nfs/dbraw/zinc/13/52/87/360135287.db2.gz GDVWCWZHLCRXJU-LLVKDONJSA-N 0 3 221.344 3.462 20 0 BGADHN CCc1ncc(CN(C)[C@@H](C)C2(C)CC2)s1 ZINC000091900242 360135190 /nfs/dbraw/zinc/13/51/90/360135190.db2.gz JPIQDSXOYMYJPA-JTQLQIEISA-N 0 3 238.400 3.326 20 0 BGADHN CCc1ncc(CN(C)[C@H](C)C2(C)CC2)s1 ZINC000091900244 360135414 /nfs/dbraw/zinc/13/54/14/360135414.db2.gz JPIQDSXOYMYJPA-SNVBAGLBSA-N 0 3 238.400 3.326 20 0 BGADHN COCc1ccc(CN(C)[C@@H](C)C2(C)CC2)o1 ZINC000091900265 345611565 /nfs/dbraw/zinc/61/15/65/345611565.db2.gz KJUNWYHSUZWFKI-NSHDSACASA-N 0 3 237.343 3.046 20 0 BGADHN COCc1ccc(CN(C)[C@H](C)C2(C)CC2)o1 ZINC000091900267 345611649 /nfs/dbraw/zinc/61/16/49/345611649.db2.gz KJUNWYHSUZWFKI-LLVKDONJSA-N 0 3 237.343 3.046 20 0 BGADHN COc1ccsc1CN(C)[C@@H](C)C1(C)CC1 ZINC000091900383 345612054 /nfs/dbraw/zinc/61/20/54/345612054.db2.gz DXBUWPGCBODSIM-JTQLQIEISA-N 0 3 239.384 3.377 20 0 BGADHN COc1ccsc1CN(C)[C@H](C)C1(C)CC1 ZINC000091900384 345612113 /nfs/dbraw/zinc/61/21/13/345612113.db2.gz DXBUWPGCBODSIM-SNVBAGLBSA-N 0 3 239.384 3.377 20 0 BGADHN Cc1ccc(CN(C)[C@@H](C)C2(C)CC2)o1 ZINC000091900399 384153909 /nfs/dbraw/zinc/15/39/09/384153909.db2.gz RILDRTYZNBYSPL-NSHDSACASA-N 0 3 207.317 3.208 20 0 BGADHN Cc1ccc(CN(C)[C@H](C)C2(C)CC2)o1 ZINC000091900402 384155617 /nfs/dbraw/zinc/15/56/17/384155617.db2.gz RILDRTYZNBYSPL-LLVKDONJSA-N 0 3 207.317 3.208 20 0 BGADHN C[C@H](N(C)Cc1cccc2c1OCO2)C1(C)CC1 ZINC000091900424 360135263 /nfs/dbraw/zinc/13/52/63/360135263.db2.gz KJOONUCWWKWRNT-NSHDSACASA-N 0 3 247.338 3.036 20 0 BGADHN C[C@@H](N(C)Cc1cccc2c1OCO2)C1(C)CC1 ZINC000091900426 360135204 /nfs/dbraw/zinc/13/52/04/360135204.db2.gz KJOONUCWWKWRNT-LLVKDONJSA-N 0 3 247.338 3.036 20 0 BGADHN CCn1nc(C)c(CN(C)[C@@H](C)C2(C)CC2)c1C ZINC000091900507 345611882 /nfs/dbraw/zinc/61/18/82/345611882.db2.gz XJNMODHDTUWGEY-ZDUSSCGKSA-N 0 3 249.402 3.140 20 0 BGADHN CCn1nc(C)c(CN(C)[C@H](C)C2(C)CC2)c1C ZINC000091900508 345612406 /nfs/dbraw/zinc/61/24/06/345612406.db2.gz XJNMODHDTUWGEY-CYBMUJFWSA-N 0 3 249.402 3.140 20 0 BGADHN C[C@H](N(C)Cc1c[nH]nc1C(C)(C)C)C1(C)CC1 ZINC000091900755 360135244 /nfs/dbraw/zinc/13/52/44/360135244.db2.gz HYJAMIKOSSMSRP-NSHDSACASA-N 0 3 249.402 3.328 20 0 BGADHN C[C@@H](N(C)Cc1c[nH]nc1C(C)(C)C)C1(C)CC1 ZINC000091900756 360135433 /nfs/dbraw/zinc/13/54/33/360135433.db2.gz HYJAMIKOSSMSRP-LLVKDONJSA-N 0 3 249.402 3.328 20 0 BGADHN Cc1ccoc1CN(C)[C@@H](C)C1(C)CC1 ZINC000091900786 360135170 /nfs/dbraw/zinc/13/51/70/360135170.db2.gz UIUUKNRZSLXDMN-NSHDSACASA-N 0 3 207.317 3.208 20 0 BGADHN Cc1ccoc1CN(C)[C@H](C)C1(C)CC1 ZINC000091900787 345612168 /nfs/dbraw/zinc/61/21/68/345612168.db2.gz UIUUKNRZSLXDMN-LLVKDONJSA-N 0 3 207.317 3.208 20 0 BGADHN COc1ccccc1CN(C)[C@@H](C)C1(C)CC1 ZINC000091900825 360135361 /nfs/dbraw/zinc/13/53/61/360135361.db2.gz NYICRZVRJZCPRE-LBPRGKRZSA-N 0 3 233.355 3.316 20 0 BGADHN COc1ccccc1CN(C)[C@H](C)C1(C)CC1 ZINC000091900826 360135094 /nfs/dbraw/zinc/13/50/94/360135094.db2.gz NYICRZVRJZCPRE-GFCCVEGCSA-N 0 3 233.355 3.316 20 0 BGADHN Cc1ncccc1CN(C)[C@@H](C)C1(C)CC1 ZINC000091900906 360135156 /nfs/dbraw/zinc/13/51/56/360135156.db2.gz JKJLQJBDVAULSD-LBPRGKRZSA-N 0 3 218.344 3.010 20 0 BGADHN Cc1ncccc1CN(C)[C@H](C)C1(C)CC1 ZINC000091900908 360135393 /nfs/dbraw/zinc/13/53/93/360135393.db2.gz JKJLQJBDVAULSD-GFCCVEGCSA-N 0 3 218.344 3.010 20 0 BGADHN Cc1ncsc1CN(C)[C@@H](C)C1(C)CC1 ZINC000091900912 345612105 /nfs/dbraw/zinc/61/21/05/345612105.db2.gz UKGKRAWWFYBWLS-JTQLQIEISA-N 0 3 224.373 3.072 20 0 BGADHN Cc1ncsc1CN(C)[C@H](C)C1(C)CC1 ZINC000091900913 345612420 /nfs/dbraw/zinc/61/24/20/345612420.db2.gz UKGKRAWWFYBWLS-SNVBAGLBSA-N 0 3 224.373 3.072 20 0 BGADHN C[C@H](N(C)Cc1ccsc1)C1(C)CC1 ZINC000091900943 384154919 /nfs/dbraw/zinc/15/49/19/384154919.db2.gz AJNMBZDYTRTPQS-JTQLQIEISA-N 0 3 209.358 3.369 20 0 BGADHN C[C@@H](N(C)Cc1ccsc1)C1(C)CC1 ZINC000091900946 384153832 /nfs/dbraw/zinc/15/38/32/384153832.db2.gz AJNMBZDYTRTPQS-SNVBAGLBSA-N 0 3 209.358 3.369 20 0 BGADHN C[C@H](N(C)Cc1cnn(C(C)(C)C)c1)C1(C)CC1 ZINC000091900989 360135126 /nfs/dbraw/zinc/13/51/26/360135126.db2.gz HYTVZGFCYONFTC-LBPRGKRZSA-N 0 3 249.402 3.259 20 0 BGADHN C[C@@H](N(C)Cc1cnn(C(C)(C)C)c1)C1(C)CC1 ZINC000091900991 360135174 /nfs/dbraw/zinc/13/51/74/360135174.db2.gz HYTVZGFCYONFTC-GFCCVEGCSA-N 0 3 249.402 3.259 20 0 BGADHN CCc1ncc(CN2CCC[C@H](CC)C2)s1 ZINC000091919179 345612194 /nfs/dbraw/zinc/61/21/94/345612194.db2.gz JBVAEMFVJZXSDH-NSHDSACASA-N 0 3 238.400 3.328 20 0 BGADHN CCc1ncc(CN2CCC[C@@H](CC)C2)s1 ZINC000091919183 360136619 /nfs/dbraw/zinc/13/66/19/360136619.db2.gz JBVAEMFVJZXSDH-LLVKDONJSA-N 0 3 238.400 3.328 20 0 BGADHN CC[C@@H]1CCCN(Cc2ccc(COC)o2)C1 ZINC000091919221 344286501 /nfs/dbraw/zinc/28/65/01/344286501.db2.gz CKJWYVVCUKBGRJ-GFCCVEGCSA-N 0 3 237.343 3.048 20 0 BGADHN CC[C@H]1CCCN(Cc2ccc(COC)o2)C1 ZINC000091919222 384154456 /nfs/dbraw/zinc/15/44/56/384154456.db2.gz CKJWYVVCUKBGRJ-LBPRGKRZSA-N 0 3 237.343 3.048 20 0 BGADHN CC[C@@H]1CCCN(Cc2sccc2OC)C1 ZINC000091919276 345611741 /nfs/dbraw/zinc/61/17/41/345611741.db2.gz LUUHORVBFDGDDG-LLVKDONJSA-N 0 3 239.384 3.379 20 0 BGADHN CC[C@H]1CCCN(Cc2sccc2OC)C1 ZINC000091919278 345612863 /nfs/dbraw/zinc/61/28/63/345612863.db2.gz LUUHORVBFDGDDG-NSHDSACASA-N 0 3 239.384 3.379 20 0 BGADHN CC[C@@H]1CCCN(Cc2ccc(C)o2)C1 ZINC000091919293 360136596 /nfs/dbraw/zinc/13/65/96/360136596.db2.gz CHVANSSJANQTNX-GFCCVEGCSA-N 0 3 207.317 3.210 20 0 BGADHN CC[C@H]1CCCN(Cc2ccc(C)o2)C1 ZINC000091919294 360136418 /nfs/dbraw/zinc/13/64/18/360136418.db2.gz CHVANSSJANQTNX-LBPRGKRZSA-N 0 3 207.317 3.210 20 0 BGADHN CC[C@@H]1CCCN(Cc2c(C)nn(CC)c2C)C1 ZINC000091919344 360136656 /nfs/dbraw/zinc/13/66/56/360136656.db2.gz IRAAEHNNFXFSEB-CQSZACIVSA-N 0 3 249.402 3.142 20 0 BGADHN CC[C@H]1CCCN(Cc2c(C)nn(CC)c2C)C1 ZINC000091919346 360136570 /nfs/dbraw/zinc/13/65/70/360136570.db2.gz IRAAEHNNFXFSEB-AWEZNQCLSA-N 0 3 249.402 3.142 20 0 BGADHN CC[C@@H]1CCCN(Cc2c[nH]nc2C(C)(C)C)C1 ZINC000091919487 384154818 /nfs/dbraw/zinc/15/48/18/384154818.db2.gz PBEUZWHZVVKHJO-GFCCVEGCSA-N 0 3 249.402 3.329 20 0 BGADHN CC[C@H]1CCCN(Cc2c[nH]nc2C(C)(C)C)C1 ZINC000091919489 384153175 /nfs/dbraw/zinc/15/31/75/384153175.db2.gz PBEUZWHZVVKHJO-LBPRGKRZSA-N 0 3 249.402 3.329 20 0 BGADHN CC[C@@H]1CCCN(Cc2scnc2C)C1 ZINC000091919590 344286609 /nfs/dbraw/zinc/28/66/09/344286609.db2.gz JULGYZDXEGVLTM-LLVKDONJSA-N 0 3 224.373 3.074 20 0 BGADHN CC[C@H]1CCCN(Cc2scnc2C)C1 ZINC000091919597 384155609 /nfs/dbraw/zinc/15/56/09/384155609.db2.gz JULGYZDXEGVLTM-NSHDSACASA-N 0 3 224.373 3.074 20 0 BGADHN CC[C@@H]1CCCN(Cc2cnn(C(C)(C)C)c2)C1 ZINC000091919629 360136610 /nfs/dbraw/zinc/13/66/10/360136610.db2.gz GUSRMCGEILISJY-CYBMUJFWSA-N 0 3 249.402 3.260 20 0 BGADHN CC[C@H]1CCCN(Cc2cnn(C(C)(C)C)c2)C1 ZINC000091919632 360136578 /nfs/dbraw/zinc/13/65/78/360136578.db2.gz GUSRMCGEILISJY-ZDUSSCGKSA-N 0 3 249.402 3.260 20 0 BGADHN CCc1ccc(CN2CC[C@H](CC)C2)o1 ZINC000091929155 360136407 /nfs/dbraw/zinc/13/64/07/360136407.db2.gz HRDXFRXRGOYFIU-NSHDSACASA-N 0 3 207.317 3.074 20 0 BGADHN CCc1ccc(CN2CC[C@@H](CC)C2)o1 ZINC000091929156 360136727 /nfs/dbraw/zinc/13/67/27/360136727.db2.gz HRDXFRXRGOYFIU-LLVKDONJSA-N 0 3 207.317 3.074 20 0 BGADHN CC[C@@H]1CCN(Cc2cc(F)cc(F)c2)C1 ZINC000091929157 360136055 /nfs/dbraw/zinc/13/60/55/360136055.db2.gz VXYMCAANXNQFCA-SNVBAGLBSA-N 0 3 225.282 3.197 20 0 BGADHN CC[C@H]1CCN(Cc2cc(F)cc(F)c2)C1 ZINC000091929163 360136694 /nfs/dbraw/zinc/13/66/94/360136694.db2.gz VXYMCAANXNQFCA-JTQLQIEISA-N 0 3 225.282 3.197 20 0 BGADHN CC[C@@H]1CCN(Cc2cnc(C(C)C)s2)C1 ZINC000091929264 345612979 /nfs/dbraw/zinc/61/29/79/345612979.db2.gz YMHIBKMHXCQCHP-LLVKDONJSA-N 0 3 238.400 3.498 20 0 BGADHN CC[C@H]1CCN(Cc2cnc(C(C)C)s2)C1 ZINC000091929266 345612636 /nfs/dbraw/zinc/61/26/36/345612636.db2.gz YMHIBKMHXCQCHP-NSHDSACASA-N 0 3 238.400 3.498 20 0 BGADHN CC[C@@H]1CCN(C/C=C/c2ccccc2OC)C1 ZINC000091929810 369023263 /nfs/dbraw/zinc/02/32/63/369023263.db2.gz YLRWMCWVATVYHT-IZPAUZPXSA-N 0 3 245.366 3.440 20 0 BGADHN CC[C@H]1CCN(C/C=C/c2ccccc2OC)C1 ZINC000091929817 344286562 /nfs/dbraw/zinc/28/65/62/344286562.db2.gz YLRWMCWVATVYHT-OWNNVSBGSA-N 0 3 245.366 3.440 20 0 BGADHN CC[C@@H]1CCN(Cc2cnc(C3CC3)s2)C1 ZINC000091930273 345613027 /nfs/dbraw/zinc/61/30/27/345613027.db2.gz PDPUGRYEMUAAIA-SNVBAGLBSA-N 0 3 236.384 3.252 20 0 BGADHN CC[C@H]1CCN(Cc2cnc(C3CC3)s2)C1 ZINC000091930281 345612972 /nfs/dbraw/zinc/61/29/72/345612972.db2.gz PDPUGRYEMUAAIA-JTQLQIEISA-N 0 3 236.384 3.252 20 0 BGADHN COc1ccc(CN2[C@H](C)CC[C@@H]2C)c(OC)c1 ZINC000091937272 360137397 /nfs/dbraw/zinc/13/73/97/360137397.db2.gz UERKQNKWFXUCRJ-TXEJJXNPSA-N 0 3 249.354 3.077 20 0 BGADHN COc1ccc(CN2[C@@H](C)CC[C@@H]2C)c(OC)c1 ZINC000091937273 360137573 /nfs/dbraw/zinc/13/75/73/360137573.db2.gz UERKQNKWFXUCRJ-RYUDHWBXSA-N 0 3 249.354 3.077 20 0 BGADHN COc1ccc(CN2[C@H](C)CC[C@H]2C)c(OC)c1 ZINC000091937274 360137633 /nfs/dbraw/zinc/13/76/33/360137633.db2.gz UERKQNKWFXUCRJ-VXGBXAGGSA-N 0 3 249.354 3.077 20 0 BGADHN C[C@@H]1CC[C@H](C)N1Cc1cc(F)cc(F)c1 ZINC000091937328 360137911 /nfs/dbraw/zinc/13/79/11/360137911.db2.gz CZYFDLZBBKFXAY-AOOOYVTPSA-N 0 3 225.282 3.338 20 0 BGADHN C[C@H]1CC[C@H](C)N1Cc1cc(F)cc(F)c1 ZINC000091937329 360137891 /nfs/dbraw/zinc/13/78/91/360137891.db2.gz CZYFDLZBBKFXAY-UWVGGRQHSA-N 0 3 225.282 3.338 20 0 BGADHN C[C@@H]1CC[C@@H](C)N1Cc1cc(F)cc(F)c1 ZINC000091937330 360137865 /nfs/dbraw/zinc/13/78/65/360137865.db2.gz CZYFDLZBBKFXAY-NXEZZACHSA-N 0 3 225.282 3.338 20 0 BGADHN CCc1ncc(CN2[C@H](C)CC[C@@H]2C)s1 ZINC000091937334 345612783 /nfs/dbraw/zinc/61/27/83/345612783.db2.gz VAIVAQQBQOXVLD-AOOOYVTPSA-N 0 3 224.373 3.078 20 0 BGADHN CCc1ncc(CN2[C@@H](C)CC[C@@H]2C)s1 ZINC000091937335 345612891 /nfs/dbraw/zinc/61/28/91/345612891.db2.gz VAIVAQQBQOXVLD-UWVGGRQHSA-N 0 3 224.373 3.078 20 0 BGADHN CCc1ncc(CN2[C@H](C)CC[C@H]2C)s1 ZINC000091937336 345612683 /nfs/dbraw/zinc/61/26/83/345612683.db2.gz VAIVAQQBQOXVLD-NXEZZACHSA-N 0 3 224.373 3.078 20 0 BGADHN Cc1ccn2c(CN3[C@H](C)CC[C@@H]3C)cnc2c1 ZINC000091937567 360137332 /nfs/dbraw/zinc/13/73/32/360137332.db2.gz WMYXBVFTWGCUNW-BETUJISGSA-N 0 3 243.354 3.016 20 0 BGADHN Cc1ccn2c(CN3[C@@H](C)CC[C@@H]3C)cnc2c1 ZINC000091937568 360137684 /nfs/dbraw/zinc/13/76/84/360137684.db2.gz WMYXBVFTWGCUNW-STQMWFEESA-N 0 3 243.354 3.016 20 0 BGADHN Cc1ccn2c(CN3[C@H](C)CC[C@H]3C)cnc2c1 ZINC000091937569 360137957 /nfs/dbraw/zinc/13/79/57/360137957.db2.gz WMYXBVFTWGCUNW-CHWSQXEVSA-N 0 3 243.354 3.016 20 0 BGADHN COc1cc(CN2[C@H](C)CC[C@@H]2C)cc(OC)c1 ZINC000091937604 360137962 /nfs/dbraw/zinc/13/79/62/360137962.db2.gz IRKSGTIVFNBOJR-TXEJJXNPSA-N 0 3 249.354 3.077 20 0 BGADHN COc1cc(CN2[C@@H](C)CC[C@@H]2C)cc(OC)c1 ZINC000091937605 360137252 /nfs/dbraw/zinc/13/72/52/360137252.db2.gz IRKSGTIVFNBOJR-RYUDHWBXSA-N 0 3 249.354 3.077 20 0 BGADHN COc1cc(CN2[C@H](C)CC[C@H]2C)cc(OC)c1 ZINC000091937606 360137940 /nfs/dbraw/zinc/13/79/40/360137940.db2.gz IRKSGTIVFNBOJR-VXGBXAGGSA-N 0 3 249.354 3.077 20 0 BGADHN COc1cccc(CN2[C@H](C)CC[C@@H]2C)c1OC ZINC000091937669 360137375 /nfs/dbraw/zinc/13/73/75/360137375.db2.gz GDNIUSTXBSPLTM-TXEJJXNPSA-N 0 3 249.354 3.077 20 0 BGADHN COc1cccc(CN2[C@@H](C)CC[C@@H]2C)c1OC ZINC000091937670 360137947 /nfs/dbraw/zinc/13/79/47/360137947.db2.gz GDNIUSTXBSPLTM-RYUDHWBXSA-N 0 3 249.354 3.077 20 0 BGADHN COc1cccc(CN2[C@H](C)CC[C@H]2C)c1OC ZINC000091937671 360137897 /nfs/dbraw/zinc/13/78/97/360137897.db2.gz GDNIUSTXBSPLTM-VXGBXAGGSA-N 0 3 249.354 3.077 20 0 BGADHN Cc1cccn2c(CN3[C@H](C)CC[C@@H]3C)cnc12 ZINC000091937725 360137906 /nfs/dbraw/zinc/13/79/06/360137906.db2.gz MNTDBRWBNZKIIR-BETUJISGSA-N 0 3 243.354 3.016 20 0 BGADHN Cc1cccn2c(CN3[C@@H](C)CC[C@@H]3C)cnc12 ZINC000091937726 360137823 /nfs/dbraw/zinc/13/78/23/360137823.db2.gz MNTDBRWBNZKIIR-STQMWFEESA-N 0 3 243.354 3.016 20 0 BGADHN Cc1cccn2c(CN3[C@H](C)CC[C@H]3C)cnc12 ZINC000091937727 360137193 /nfs/dbraw/zinc/13/71/93/360137193.db2.gz MNTDBRWBNZKIIR-CHWSQXEVSA-N 0 3 243.354 3.016 20 0 BGADHN COc1ccc(CN2[C@H](C)CC[C@@H]2C)cc1OC ZINC000091937749 360137718 /nfs/dbraw/zinc/13/77/18/360137718.db2.gz IYUYEYYDGFCLTM-TXEJJXNPSA-N 0 3 249.354 3.077 20 0 BGADHN COc1ccc(CN2[C@@H](C)CC[C@@H]2C)cc1OC ZINC000091937750 360137464 /nfs/dbraw/zinc/13/74/64/360137464.db2.gz IYUYEYYDGFCLTM-RYUDHWBXSA-N 0 3 249.354 3.077 20 0 BGADHN COc1ccc(CN2[C@H](C)CC[C@H]2C)cc1OC ZINC000091937751 360137785 /nfs/dbraw/zinc/13/77/85/360137785.db2.gz IYUYEYYDGFCLTM-VXGBXAGGSA-N 0 3 249.354 3.077 20 0 BGADHN C[C@@H]1CC[C@H](C)N1Cc1cnc(C2CC2)s1 ZINC000091937920 345612692 /nfs/dbraw/zinc/61/26/92/345612692.db2.gz WAAIPTDFBYCBGK-AOOOYVTPSA-N 0 3 236.384 3.393 20 0 BGADHN C[C@H]1CC[C@H](C)N1Cc1cnc(C2CC2)s1 ZINC000091937921 345612935 /nfs/dbraw/zinc/61/29/35/345612935.db2.gz WAAIPTDFBYCBGK-UWVGGRQHSA-N 0 3 236.384 3.393 20 0 BGADHN C[C@@H]1CC[C@@H](C)N1Cc1cnc(C2CC2)s1 ZINC000091937922 345612687 /nfs/dbraw/zinc/61/26/87/345612687.db2.gz WAAIPTDFBYCBGK-NXEZZACHSA-N 0 3 236.384 3.393 20 0 BGADHN C[C@@H]1CC[C@H](C)N1Cc1cnn(C(C)(C)C)c1 ZINC000091937962 384152747 /nfs/dbraw/zinc/15/27/47/384152747.db2.gz LMTHSARXRKDEGZ-TXEJJXNPSA-N 0 3 235.375 3.011 20 0 BGADHN C[C@H]1CC[C@H](C)N1Cc1cnn(C(C)(C)C)c1 ZINC000091937963 384154266 /nfs/dbraw/zinc/15/42/66/384154266.db2.gz LMTHSARXRKDEGZ-RYUDHWBXSA-N 0 3 235.375 3.011 20 0 BGADHN C[C@@H]1CC[C@@H](C)N1Cc1cnn(C(C)(C)C)c1 ZINC000091937964 385230594 /nfs/dbraw/zinc/23/05/94/385230594.db2.gz LMTHSARXRKDEGZ-VXGBXAGGSA-N 0 3 235.375 3.011 20 0 BGADHN Cc1ccc2ncc(CN3[C@H](C)CC[C@@H]3C)n2c1 ZINC000091956885 360138471 /nfs/dbraw/zinc/13/84/71/360138471.db2.gz SPXLKXDVONBURX-BETUJISGSA-N 0 3 243.354 3.016 20 0 BGADHN Cc1ccc2ncc(CN3[C@@H](C)CC[C@@H]3C)n2c1 ZINC000091956886 360139025 /nfs/dbraw/zinc/13/90/25/360139025.db2.gz SPXLKXDVONBURX-STQMWFEESA-N 0 3 243.354 3.016 20 0 BGADHN Cc1ccc2ncc(CN3[C@H](C)CC[C@H]3C)n2c1 ZINC000091956887 360138407 /nfs/dbraw/zinc/13/84/07/360138407.db2.gz SPXLKXDVONBURX-CHWSQXEVSA-N 0 3 243.354 3.016 20 0 BGADHN CC(C)CNCc1ncoc1-c1ccccc1 ZINC000091959339 360138790 /nfs/dbraw/zinc/13/87/90/360138790.db2.gz CGAMLKNHLXLVHV-UHFFFAOYSA-N 0 3 230.311 3.087 20 0 BGADHN C[C@@H](c1ccncc1)N(C)[C@H]1C=CCCC1 ZINC000091986450 176034960 /nfs/dbraw/zinc/03/49/60/176034960.db2.gz ORMMEESICKAOCW-JSGCOSHPSA-N 0 3 216.328 3.183 20 0 BGADHN C[C@H](c1ccncc1)N(C)[C@H]1C=CCCC1 ZINC000091986452 177051178 /nfs/dbraw/zinc/05/11/78/177051178.db2.gz ORMMEESICKAOCW-OCCSQVGLSA-N 0 3 216.328 3.183 20 0 BGADHN CCCCCN(C)[C@@H](C)c1ccncc1 ZINC000091989337 384160288 /nfs/dbraw/zinc/16/02/88/384160288.db2.gz VKEBXULGXRRUTL-LBPRGKRZSA-N 0 3 206.333 3.265 20 0 BGADHN CCCCCN(C)[C@H](C)c1ccncc1 ZINC000091989339 384158758 /nfs/dbraw/zinc/15/87/58/384158758.db2.gz VKEBXULGXRRUTL-GFCCVEGCSA-N 0 3 206.333 3.265 20 0 BGADHN Cc1ccc(O)c(CN[C@@H](C)c2ccsc2)n1 ZINC000091995346 538105800 /nfs/dbraw/zinc/10/58/00/538105800.db2.gz ZWVLZFGCTQDSBQ-JTQLQIEISA-N 0 3 248.351 3.008 20 0 BGADHN Cc1ccc(O)c(CN[C@H](C)c2ccsc2)n1 ZINC000091995347 538105785 /nfs/dbraw/zinc/10/57/85/538105785.db2.gz ZWVLZFGCTQDSBQ-SNVBAGLBSA-N 0 3 248.351 3.008 20 0 BGADHN Cc1ccc([O-])c(C[NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)n1 ZINC000091995640 360144389 /nfs/dbraw/zinc/14/43/89/360144389.db2.gz GCPMBPHQPDWMDW-DMDPSCGWSA-N 0 3 248.370 3.010 20 0 BGADHN Cc1ccc([O-])c(C[NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)n1 ZINC000091995642 360144540 /nfs/dbraw/zinc/14/45/40/360144540.db2.gz GCPMBPHQPDWMDW-NQBHXWOUSA-N 0 3 248.370 3.010 20 0 BGADHN CCc1ncc(CN(CC(C)C)C2CC2)s1 ZINC000092008599 345614867 /nfs/dbraw/zinc/61/48/67/345614867.db2.gz JXVJVOUNPAWPFJ-UHFFFAOYSA-N 0 3 238.400 3.326 20 0 BGADHN COCc1ccc(CN(CC(C)C)C2CC2)o1 ZINC000092008626 174622009 /nfs/dbraw/zinc/62/20/09/174622009.db2.gz ZGZWXYSRGQXXSV-UHFFFAOYSA-N 0 3 237.343 3.046 20 0 BGADHN COc1ccsc1CN(CC(C)C)C1CC1 ZINC000092008825 345614806 /nfs/dbraw/zinc/61/48/06/345614806.db2.gz KEKUBZRIYRNAGQ-UHFFFAOYSA-N 0 3 239.384 3.377 20 0 BGADHN CC(C)CN(Cc1cccc2c1OCO2)C1CC1 ZINC000092008874 360144941 /nfs/dbraw/zinc/14/49/41/360144941.db2.gz CRZXDDPQKDTCDN-UHFFFAOYSA-N 0 3 247.338 3.036 20 0 BGADHN CCn1nc(C)c(CN(CC(C)C)C2CC2)c1C ZINC000092008947 345614842 /nfs/dbraw/zinc/61/48/42/345614842.db2.gz BGENYWUJDWFSEV-UHFFFAOYSA-N 0 3 249.402 3.140 20 0 BGADHN CC(C)CN(Cc1c[nH]nc1C(C)(C)C)C1CC1 ZINC000092009137 360144988 /nfs/dbraw/zinc/14/49/88/360144988.db2.gz WPNAGDTXIMEZAH-UHFFFAOYSA-N 0 3 249.402 3.328 20 0 BGADHN Cc1ccoc1CN(CC(C)C)C1CC1 ZINC000092009143 360145206 /nfs/dbraw/zinc/14/52/06/360145206.db2.gz SYKQBNZWHCURSB-UHFFFAOYSA-N 0 3 207.317 3.208 20 0 BGADHN Cc1ncccc1CN(CC(C)C)C1CC1 ZINC000092009215 360144532 /nfs/dbraw/zinc/14/45/32/360144532.db2.gz QXQSGMVBZODSAH-UHFFFAOYSA-N 0 3 218.344 3.010 20 0 BGADHN Cc1ncsc1CN(CC(C)C)C1CC1 ZINC000092009217 180315822 /nfs/dbraw/zinc/31/58/22/180315822.db2.gz JSXLOBLYPABEMH-UHFFFAOYSA-N 0 3 224.373 3.072 20 0 BGADHN CC(C)CN(Cc1cnn(C(C)(C)C)c1)C1CC1 ZINC000092009254 360144645 /nfs/dbraw/zinc/14/46/45/360144645.db2.gz FVNZJUAZZHRNCZ-UHFFFAOYSA-N 0 3 249.402 3.259 20 0 BGADHN COCc1ccc(CN([C@@H](C)C2CC2)C2CC2)o1 ZINC000092009385 345614595 /nfs/dbraw/zinc/61/45/95/345614595.db2.gz JYEVFGGJXFAPDM-NSHDSACASA-N 0 3 249.354 3.189 20 0 BGADHN COCc1ccc(CN([C@H](C)C2CC2)C2CC2)o1 ZINC000092009386 345614640 /nfs/dbraw/zinc/61/46/40/345614640.db2.gz JYEVFGGJXFAPDM-LLVKDONJSA-N 0 3 249.354 3.189 20 0 BGADHN Cc1ccc(CN([C@@H](C)C2CC2)C2CC2)o1 ZINC000092009478 360146086 /nfs/dbraw/zinc/14/60/86/360146086.db2.gz JXROWMJUCVRAHR-NSHDSACASA-N 0 3 219.328 3.351 20 0 BGADHN Cc1ccc(CN([C@H](C)C2CC2)C2CC2)o1 ZINC000092009479 135569287 /nfs/dbraw/zinc/56/92/87/135569287.db2.gz JXROWMJUCVRAHR-LLVKDONJSA-N 0 3 219.328 3.351 20 0 BGADHN C[C@@H](C1CC1)N(Cc1ccco1)C1CC1 ZINC000092009806 384157832 /nfs/dbraw/zinc/15/78/32/384157832.db2.gz PXJQVQBCOIBWNQ-JTQLQIEISA-N 0 3 205.301 3.043 20 0 BGADHN C[C@H](C1CC1)N(Cc1ccco1)C1CC1 ZINC000092009810 384158779 /nfs/dbraw/zinc/15/87/79/384158779.db2.gz PXJQVQBCOIBWNQ-SNVBAGLBSA-N 0 3 205.301 3.043 20 0 BGADHN Cc1ncsc1CN([C@@H](C)C1CC1)C1CC1 ZINC000092009987 360145867 /nfs/dbraw/zinc/14/58/67/360145867.db2.gz QTLSAMZDSYPCMN-JTQLQIEISA-N 0 3 236.384 3.214 20 0 BGADHN Cc1ncsc1CN([C@H](C)C1CC1)C1CC1 ZINC000092009988 360146360 /nfs/dbraw/zinc/14/63/60/360146360.db2.gz QTLSAMZDSYPCMN-SNVBAGLBSA-N 0 3 236.384 3.214 20 0 BGADHN CC(C)CCC1CCN(Cc2cnc[nH]2)CC1 ZINC000092012821 360146474 /nfs/dbraw/zinc/14/64/74/360146474.db2.gz VRAQOQXMRPJEKL-UHFFFAOYSA-N 0 3 235.375 3.058 20 0 BGADHN Cc1n[nH]cc1CN1CCC(CCC(C)C)CC1 ZINC000092012885 360145718 /nfs/dbraw/zinc/14/57/18/360145718.db2.gz CIBCEYBTOGSDTN-UHFFFAOYSA-N 0 3 249.402 3.366 20 0 BGADHN CC(C)CC[C@@H]1CCCCN1Cc1c[nH]cn1 ZINC000092015780 360146435 /nfs/dbraw/zinc/14/64/35/360146435.db2.gz IKWBTISJRSVEFC-AWEZNQCLSA-N 0 3 235.375 3.200 20 0 BGADHN CC(C)CC[C@H]1CCCCN1Cc1c[nH]cn1 ZINC000092015782 360145651 /nfs/dbraw/zinc/14/56/51/360145651.db2.gz IKWBTISJRSVEFC-CQSZACIVSA-N 0 3 235.375 3.200 20 0 BGADHN CC(C)CC[C@@H]1CCCCN1Cc1ccnn1C ZINC000092015830 360146454 /nfs/dbraw/zinc/14/64/54/360146454.db2.gz XAQBPJJAMXMVAK-AWEZNQCLSA-N 0 3 249.402 3.211 20 0 BGADHN CC(C)CC[C@H]1CCCCN1Cc1ccnn1C ZINC000092015832 360146277 /nfs/dbraw/zinc/14/62/77/360146277.db2.gz XAQBPJJAMXMVAK-CQSZACIVSA-N 0 3 249.402 3.211 20 0 BGADHN CC(C)CC[C@@H]1CCCCN1Cc1cc[nH]n1 ZINC000092015855 360146003 /nfs/dbraw/zinc/14/60/03/360146003.db2.gz ZPLWDBFXOFXDOX-AWEZNQCLSA-N 0 3 235.375 3.200 20 0 BGADHN CC(C)CC[C@H]1CCCCN1Cc1cc[nH]n1 ZINC000092015857 360145957 /nfs/dbraw/zinc/14/59/57/360145957.db2.gz ZPLWDBFXOFXDOX-CQSZACIVSA-N 0 3 235.375 3.200 20 0 BGADHN CCn1cc(CN2CCC(CC(C)C)CC2)cn1 ZINC000092020829 644646098 /nfs/dbraw/zinc/64/60/98/644646098.db2.gz JDDZVKZSYBHJRA-UHFFFAOYSA-N 0 3 249.402 3.161 20 0 BGADHN CCO[C@@H]1C[C@H](N(C)Cc2ccco2)C12CCC2 ZINC000092040822 384157932 /nfs/dbraw/zinc/15/79/32/384157932.db2.gz LHNVAXCDZVWOOY-UONOGXRCSA-N 0 3 249.354 3.059 20 0 BGADHN CCO[C@H]1C[C@H](N(C)Cc2ccco2)C12CCC2 ZINC000092040823 384158675 /nfs/dbraw/zinc/15/86/75/384158675.db2.gz LHNVAXCDZVWOOY-KBPBESRZSA-N 0 3 249.354 3.059 20 0 BGADHN CCO[C@@H]1C[C@@H](N(C)Cc2ccco2)C12CCC2 ZINC000092040824 384160511 /nfs/dbraw/zinc/16/05/11/384160511.db2.gz LHNVAXCDZVWOOY-ZIAGYGMSSA-N 0 3 249.354 3.059 20 0 BGADHN CCO[C@H]1C[C@@H](N(C)Cc2ccco2)C12CCC2 ZINC000092040825 384158357 /nfs/dbraw/zinc/15/83/57/384158357.db2.gz LHNVAXCDZVWOOY-KGLIPLIRSA-N 0 3 249.354 3.059 20 0 BGADHN CCO[C@@H]1C[C@H](N(C)Cc2ccoc2)C12CCC2 ZINC000092041049 643080807 /nfs/dbraw/zinc/08/08/07/643080807.db2.gz BFILKXJFBJYEGX-UONOGXRCSA-N 0 3 249.354 3.059 20 0 BGADHN CCO[C@H]1C[C@H](N(C)Cc2ccoc2)C12CCC2 ZINC000092041050 643080738 /nfs/dbraw/zinc/08/07/38/643080738.db2.gz BFILKXJFBJYEGX-KBPBESRZSA-N 0 3 249.354 3.059 20 0 BGADHN CCO[C@@H]1C[C@@H](N(C)Cc2ccoc2)C12CCC2 ZINC000092041051 643080385 /nfs/dbraw/zinc/08/03/85/643080385.db2.gz BFILKXJFBJYEGX-ZIAGYGMSSA-N 0 3 249.354 3.059 20 0 BGADHN CCO[C@H]1C[C@@H](N(C)Cc2ccoc2)C12CCC2 ZINC000092041052 644645538 /nfs/dbraw/zinc/64/55/38/644645538.db2.gz BFILKXJFBJYEGX-KGLIPLIRSA-N 0 3 249.354 3.059 20 0 BGADHN CS[C@H]1CCCCN(Cc2ccc(C)o2)C1 ZINC000092064047 360149037 /nfs/dbraw/zinc/14/90/37/360149037.db2.gz QZGVAYOUXYWXTJ-ZDUSSCGKSA-N 0 3 239.384 3.306 20 0 BGADHN CS[C@@H]1CCCCN(Cc2ccc(C)o2)C1 ZINC000092064048 360148696 /nfs/dbraw/zinc/14/86/96/360148696.db2.gz QZGVAYOUXYWXTJ-CYBMUJFWSA-N 0 3 239.384 3.306 20 0 BGADHN CS[C@H]1CCCCN(Cc2occc2C)C1 ZINC000092064205 345615557 /nfs/dbraw/zinc/61/55/57/345615557.db2.gz NDMDAKYJNZDHHC-LBPRGKRZSA-N 0 3 239.384 3.306 20 0 BGADHN CS[C@@H]1CCCCN(Cc2occc2C)C1 ZINC000092064206 345615756 /nfs/dbraw/zinc/61/57/56/345615756.db2.gz NDMDAKYJNZDHHC-GFCCVEGCSA-N 0 3 239.384 3.306 20 0 BGADHN CN(CCC1CC1)Cc1ccc(Cl)o1 ZINC000092067031 345615493 /nfs/dbraw/zinc/61/54/93/345615493.db2.gz FIZVHDVBARSAAZ-UHFFFAOYSA-N 0 3 213.708 3.165 20 0 BGADHN CCc1ccc(CN(C)CCC2CC2)o1 ZINC000092067045 360149195 /nfs/dbraw/zinc/14/91/95/360149195.db2.gz BQRBTYBTPVVWAD-UHFFFAOYSA-N 0 3 207.317 3.074 20 0 BGADHN CN(CCC1CC1)Cc1cc(F)cc(F)c1 ZINC000092067046 360148573 /nfs/dbraw/zinc/14/85/73/360148573.db2.gz QIUBQCRYUBPNAG-UHFFFAOYSA-N 0 3 225.282 3.197 20 0 BGADHN CCCn1nc(C)c(CN(C)CCC2CC2)c1C ZINC000092067056 360148531 /nfs/dbraw/zinc/14/85/31/360148531.db2.gz KPUXPFGLABTIRM-UHFFFAOYSA-N 0 3 249.402 3.142 20 0 BGADHN CC(C)c1ncc(CN(C)CCC2CC2)s1 ZINC000092067061 345615648 /nfs/dbraw/zinc/61/56/48/345615648.db2.gz ITUXXJYLFPUHNR-UHFFFAOYSA-N 0 3 238.400 3.498 20 0 BGADHN CN(CCC1CC1)CC1=Cc2ccccc2OC1 ZINC000092067152 384163052 /nfs/dbraw/zinc/16/30/52/384163052.db2.gz WWPPYMJAFITORI-UHFFFAOYSA-N 0 3 243.350 3.194 20 0 BGADHN CN(CCC1CC1)Cc1cnc(C2CC2)s1 ZINC000092067223 345615416 /nfs/dbraw/zinc/61/54/16/345615416.db2.gz PTXFQPWDTJRNAL-UHFFFAOYSA-N 0 3 236.384 3.252 20 0 BGADHN CCOc1cccc(CN2CCCCC2)c1 ZINC000092106806 388786382 /nfs/dbraw/zinc/78/63/82/388786382.db2.gz POJKPXHYPCZHNC-UHFFFAOYSA-N 0 3 219.328 3.071 20 0 BGADHN Cc1ccc(F)c(CN2CCCCC2)c1 ZINC000092106851 360154169 /nfs/dbraw/zinc/15/41/69/360154169.db2.gz YDXQIYVKQHUMQZ-UHFFFAOYSA-N 0 3 207.292 3.120 20 0 BGADHN COc1cccc2cc(CN3CCCCC3)oc21 ZINC000092107025 644646906 /nfs/dbraw/zinc/64/69/06/644646906.db2.gz NQEAWPCUKOYVRJ-UHFFFAOYSA-N 0 3 245.322 3.427 20 0 BGADHN c1csc(-c2n[nH]cc2CN2CCCCC2)c1 ZINC000092107048 345616172 /nfs/dbraw/zinc/61/61/72/345616172.db2.gz DNRQYDCIMLOGLM-UHFFFAOYSA-N 0 3 247.367 3.124 20 0 BGADHN Cc1cc(CN2CCCCC2)ccc1F ZINC000092107115 384161666 /nfs/dbraw/zinc/16/16/66/384161666.db2.gz WKZXMIDYOKUQPR-UHFFFAOYSA-N 0 3 207.292 3.120 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CN2CCCCC2)o1 ZINC000092107200 388787151 /nfs/dbraw/zinc/78/71/51/388787151.db2.gz OMUJLGZQMRHESS-YPMHNXCESA-N 0 3 219.328 3.389 20 0 BGADHN C[C@H]1C[C@@H]1c1ccc(CN2CCCCC2)o1 ZINC000092107203 325698081 /nfs/dbraw/zinc/69/80/81/325698081.db2.gz OMUJLGZQMRHESS-AAEUAGOBSA-N 0 3 219.328 3.389 20 0 BGADHN C[C@@H]1C[C@H]1c1ccc(CN2CCCCC2)o1 ZINC000092107206 388786461 /nfs/dbraw/zinc/78/64/61/388786461.db2.gz OMUJLGZQMRHESS-DGCLKSJQSA-N 0 3 219.328 3.389 20 0 BGADHN C[C@H]1C[C@H]1c1ccc(CN2CCCCC2)o1 ZINC000092107209 388786267 /nfs/dbraw/zinc/78/62/67/388786267.db2.gz OMUJLGZQMRHESS-WCQYABFASA-N 0 3 219.328 3.389 20 0 BGADHN Cc1cc(F)ccc1CN1CCCCC1 ZINC000092107213 388786999 /nfs/dbraw/zinc/78/69/99/388786999.db2.gz RLESAYKKRPTAMX-UHFFFAOYSA-N 0 3 207.292 3.120 20 0 BGADHN CCOc1ccc(CN2CCCCC2)cc1OC ZINC000092107430 345616727 /nfs/dbraw/zinc/61/67/27/345616727.db2.gz MGPWVXKELIUAED-UHFFFAOYSA-N 0 3 249.354 3.080 20 0 BGADHN Cc1ccc(CN2CCCCC2)cc1F ZINC000092107433 325698066 /nfs/dbraw/zinc/69/80/66/325698066.db2.gz NEECUZBMRJXARY-UHFFFAOYSA-N 0 3 207.292 3.120 20 0 BGADHN COc1ccc2oc(CN3CCCCC3)cc2c1 ZINC000092107500 388785984 /nfs/dbraw/zinc/78/59/84/388785984.db2.gz NKAINMZXUKVXGA-UHFFFAOYSA-N 0 3 245.322 3.427 20 0 BGADHN c1c(CN2CCCCC2)[nH]nc1-c1ccccc1 ZINC000092107511 360153484 /nfs/dbraw/zinc/15/34/84/360153484.db2.gz JHALBPIHGYYBMO-UHFFFAOYSA-N 0 3 241.338 3.063 20 0 BGADHN CC(C)Cc1ncc(CN2CCCCC2)s1 ZINC000092107517 360154157 /nfs/dbraw/zinc/15/41/57/360154157.db2.gz PSBUHDMMDVHLPB-UHFFFAOYSA-N 0 3 238.400 3.328 20 0 BGADHN CCN(Cc1cnc[nH]1)[C@@H](C)c1ccc(F)cc1 ZINC000092123677 345616353 /nfs/dbraw/zinc/61/63/53/345616353.db2.gz WDZCYYDZOQMAJE-NSHDSACASA-N 0 3 247.317 3.132 20 0 BGADHN CCN(Cc1cnc[nH]1)[C@H](C)c1ccc(F)cc1 ZINC000092123678 345616056 /nfs/dbraw/zinc/61/60/56/345616056.db2.gz WDZCYYDZOQMAJE-LLVKDONJSA-N 0 3 247.317 3.132 20 0 BGADHN Cc1ccc(CN(C)CCc2ccc(F)cc2)o1 ZINC000092150112 360154140 /nfs/dbraw/zinc/15/41/40/360154140.db2.gz ATEQGJJJEMAXIC-UHFFFAOYSA-N 0 3 247.313 3.402 20 0 BGADHN Cc1ccoc1CN(C)CCc1ccc(F)cc1 ZINC000092162099 360153734 /nfs/dbraw/zinc/15/37/34/360153734.db2.gz QGONIEOBKPYMTL-UHFFFAOYSA-N 0 3 247.313 3.402 20 0 BGADHN CN(CCc1ccc(F)cc1)Cc1ccoc1 ZINC000092162132 633006363 /nfs/dbraw/zinc/00/63/63/633006363.db2.gz ZBSUMKIOBGXZNU-UHFFFAOYSA-N 0 3 233.286 3.093 20 0 BGADHN Cc1n[nH]cc1CN(CC1CCCCC1)C1CC1 ZINC000092165249 360153190 /nfs/dbraw/zinc/15/31/90/360153190.db2.gz SNLMZFWSOCWDEA-UHFFFAOYSA-N 0 3 247.386 3.263 20 0 BGADHN CCCN(Cc1c[nH]cn1)CC1CCCCC1 ZINC000092187606 360156199 /nfs/dbraw/zinc/15/61/99/360156199.db2.gz JJQMFOIDQPRLAH-UHFFFAOYSA-N 0 3 235.375 3.202 20 0 BGADHN CCCN(Cc1ccnn1C)CC1CCCCC1 ZINC000092187611 384167366 /nfs/dbraw/zinc/16/73/66/384167366.db2.gz GCYPVOWCNLEYHL-UHFFFAOYSA-N 0 3 249.402 3.212 20 0 BGADHN CCCN(Cc1cc[nH]n1)CC1CCCCC1 ZINC000092187618 384156959 /nfs/dbraw/zinc/15/69/59/384156959.db2.gz QVZARNSWDPOWGE-UHFFFAOYSA-N 0 3 235.375 3.202 20 0 BGADHN C[C@H](NC1CCCCC1)c1ccc(F)cn1 ZINC000092194938 384167131 /nfs/dbraw/zinc/16/71/31/384167131.db2.gz UOMXZUXGLHSOPM-JTQLQIEISA-N 0 3 222.307 3.204 20 0 BGADHN C[C@@H](NC1CCCCC1)c1ccc(F)cn1 ZINC000092194939 384167510 /nfs/dbraw/zinc/16/75/10/384167510.db2.gz UOMXZUXGLHSOPM-SNVBAGLBSA-N 0 3 222.307 3.204 20 0 BGADHN CCC(CC)N[C@@H](C)c1ccc(F)cn1 ZINC000092194941 168391055 /nfs/dbraw/zinc/39/10/55/168391055.db2.gz AXYJLIWRPLOVAE-VIFPVBQESA-N 0 3 210.296 3.060 20 0 BGADHN CCC(CC)N[C@H](C)c1ccc(F)cn1 ZINC000092194942 168392528 /nfs/dbraw/zinc/39/25/28/168392528.db2.gz AXYJLIWRPLOVAE-SECBINFHSA-N 0 3 210.296 3.060 20 0 BGADHN CCCCCN[C@@H](C)c1ccc(F)cn1 ZINC000092194977 168720075 /nfs/dbraw/zinc/72/00/75/168720075.db2.gz TVOJTNNRXLVPPG-JTQLQIEISA-N 0 3 210.296 3.062 20 0 BGADHN CCCCCN[C@H](C)c1ccc(F)cn1 ZINC000092194980 384132278 /nfs/dbraw/zinc/13/22/78/384132278.db2.gz TVOJTNNRXLVPPG-SNVBAGLBSA-N 0 3 210.296 3.062 20 0 BGADHN C[C@H](NCCc1ccccc1)c1ccc(F)cn1 ZINC000092195086 384167336 /nfs/dbraw/zinc/16/73/36/384167336.db2.gz JLRCCBYRDMDKTL-LBPRGKRZSA-N 0 3 244.313 3.114 20 0 BGADHN C[C@@H](NCCc1ccccc1)c1ccc(F)cn1 ZINC000092195089 384166675 /nfs/dbraw/zinc/16/66/75/384166675.db2.gz JLRCCBYRDMDKTL-GFCCVEGCSA-N 0 3 244.313 3.114 20 0 BGADHN CCCCCCN[C@@H](C)c1ccc(F)cn1 ZINC000092195416 384167173 /nfs/dbraw/zinc/16/71/73/384167173.db2.gz CRPULTXAJIRLJP-NSHDSACASA-N 0 3 224.323 3.452 20 0 BGADHN CCCCCCN[C@H](C)c1ccc(F)cn1 ZINC000092195419 384167556 /nfs/dbraw/zinc/16/75/56/384167556.db2.gz CRPULTXAJIRLJP-LLVKDONJSA-N 0 3 224.323 3.452 20 0 BGADHN C[C@H](N[C@H]1CCC[C@@H](C)C1)c1ccc(F)cn1 ZINC000092195583 384166998 /nfs/dbraw/zinc/16/69/98/384166998.db2.gz SSFSOSUKTCAOQA-MDZLAQPJSA-N 0 3 236.334 3.450 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@@H](C)C1)c1ccc(F)cn1 ZINC000092195586 176895851 /nfs/dbraw/zinc/89/58/51/176895851.db2.gz SSFSOSUKTCAOQA-NTZNESFSSA-N 0 3 236.334 3.450 20 0 BGADHN CC(C)C[C@@H](C)N[C@@H](C)c1ccc(F)cn1 ZINC000092195595 187973601 /nfs/dbraw/zinc/97/36/01/187973601.db2.gz ZDQLBIFXFMRAQU-MNOVXSKESA-N 0 3 224.323 3.306 20 0 BGADHN CC(C)C[C@H](C)N[C@@H](C)c1ccc(F)cn1 ZINC000092195597 188319021 /nfs/dbraw/zinc/31/90/21/188319021.db2.gz ZDQLBIFXFMRAQU-QWRGUYRKSA-N 0 3 224.323 3.306 20 0 BGADHN CC(C)C[C@@H](C)N[C@H](C)c1ccc(F)cn1 ZINC000092195599 384168049 /nfs/dbraw/zinc/16/80/49/384168049.db2.gz ZDQLBIFXFMRAQU-GHMZBOCLSA-N 0 3 224.323 3.306 20 0 BGADHN CC(C)C[C@H](C)N[C@H](C)c1ccc(F)cn1 ZINC000092195604 384167672 /nfs/dbraw/zinc/16/76/72/384167672.db2.gz ZDQLBIFXFMRAQU-WDEREUQCSA-N 0 3 224.323 3.306 20 0 BGADHN C[C@H](NCCC1CCCC1)c1ccc(F)cn1 ZINC000092196141 360155696 /nfs/dbraw/zinc/15/56/96/360155696.db2.gz UABFWCMBJDEZBV-NSHDSACASA-N 0 3 236.334 3.452 20 0 BGADHN C[C@@H](NCCC1CCCC1)c1ccc(F)cn1 ZINC000092196142 360155261 /nfs/dbraw/zinc/15/52/61/360155261.db2.gz UABFWCMBJDEZBV-LLVKDONJSA-N 0 3 236.334 3.452 20 0 BGADHN CC(C)CCCN[C@@H](C)c1ccc(F)cn1 ZINC000092196195 384166928 /nfs/dbraw/zinc/16/69/28/384166928.db2.gz BXJSJXPRRDEWHN-NSHDSACASA-N 0 3 224.323 3.308 20 0 BGADHN CC(C)CCCN[C@H](C)c1ccc(F)cn1 ZINC000092196196 384166546 /nfs/dbraw/zinc/16/65/46/384166546.db2.gz BXJSJXPRRDEWHN-LLVKDONJSA-N 0 3 224.323 3.308 20 0 BGADHN CC[C@H](C)[C@@H](C)N[C@@H](C)c1ccc(F)cn1 ZINC000092196242 171367054 /nfs/dbraw/zinc/36/70/54/171367054.db2.gz HCKBYXVHWTZSRC-AXFHLTTASA-N 0 3 224.323 3.306 20 0 BGADHN CC[C@H](C)[C@H](C)N[C@@H](C)c1ccc(F)cn1 ZINC000092196244 171390682 /nfs/dbraw/zinc/39/06/82/171390682.db2.gz HCKBYXVHWTZSRC-DCAQKATOSA-N 0 3 224.323 3.306 20 0 BGADHN C[C@H](NC[C@H]1CC=CCC1)c1ccc(F)cn1 ZINC000092196303 384167311 /nfs/dbraw/zinc/16/73/11/384167311.db2.gz CIHVDOBOAUMXOD-RYUDHWBXSA-N 0 3 234.318 3.228 20 0 BGADHN C[C@@H](NC[C@H]1CC=CCC1)c1ccc(F)cn1 ZINC000092196304 384167347 /nfs/dbraw/zinc/16/73/47/384167347.db2.gz CIHVDOBOAUMXOD-NEPJUHHUSA-N 0 3 234.318 3.228 20 0 BGADHN C[C@H](NC[C@@H]1CC=CCC1)c1ccc(F)cn1 ZINC000092196305 384168075 /nfs/dbraw/zinc/16/80/75/384168075.db2.gz CIHVDOBOAUMXOD-NWDGAFQWSA-N 0 3 234.318 3.228 20 0 BGADHN C[C@@H](NC[C@@H]1CC=CCC1)c1ccc(F)cn1 ZINC000092196306 384167621 /nfs/dbraw/zinc/16/76/21/384167621.db2.gz CIHVDOBOAUMXOD-VXGBXAGGSA-N 0 3 234.318 3.228 20 0 BGADHN C[C@H](NCC1(C)CCCC1)c1ccc(F)cn1 ZINC000092196383 384166557 /nfs/dbraw/zinc/16/65/57/384166557.db2.gz ZULDEMWBTXZFJT-NSHDSACASA-N 0 3 236.334 3.452 20 0 BGADHN C[C@@H](NCC1(C)CCCC1)c1ccc(F)cn1 ZINC000092196384 384167797 /nfs/dbraw/zinc/16/77/97/384167797.db2.gz ZULDEMWBTXZFJT-LLVKDONJSA-N 0 3 236.334 3.452 20 0 BGADHN C[C@@H](CC1CC1)N[C@@H](C)c1ccc(F)cn1 ZINC000092196397 360155273 /nfs/dbraw/zinc/15/52/73/360155273.db2.gz FMXRLBRTYNBNJX-UWVGGRQHSA-N 0 3 222.307 3.060 20 0 BGADHN C[C@H](CC1CC1)N[C@@H](C)c1ccc(F)cn1 ZINC000092196398 360155556 /nfs/dbraw/zinc/15/55/56/360155556.db2.gz FMXRLBRTYNBNJX-ZJUUUORDSA-N 0 3 222.307 3.060 20 0 BGADHN C[C@@H](N[C@@H](C)CC1CC1)c1ccc(F)cn1 ZINC000092196399 360155706 /nfs/dbraw/zinc/15/57/06/360155706.db2.gz FMXRLBRTYNBNJX-VHSXEESVSA-N 0 3 222.307 3.060 20 0 BGADHN C[C@H](CC1CC1)N[C@H](C)c1ccc(F)cn1 ZINC000092196400 360155237 /nfs/dbraw/zinc/15/52/37/360155237.db2.gz FMXRLBRTYNBNJX-NXEZZACHSA-N 0 3 222.307 3.060 20 0 BGADHN C[C@H](N[C@@H]1CCCC1(C)C)c1ccc(F)cn1 ZINC000092196513 384166572 /nfs/dbraw/zinc/16/65/72/384166572.db2.gz FEYJFKXBPWUZNZ-GXFFZTMASA-N 0 3 236.334 3.450 20 0 BGADHN C[C@@H](N[C@@H]1CCCC1(C)C)c1ccc(F)cn1 ZINC000092196514 384167003 /nfs/dbraw/zinc/16/70/03/384167003.db2.gz FEYJFKXBPWUZNZ-ZWNOBZJWSA-N 0 3 236.334 3.450 20 0 BGADHN C[C@H](N[C@H]1CCCC1(C)C)c1ccc(F)cn1 ZINC000092196515 384167008 /nfs/dbraw/zinc/16/70/08/384167008.db2.gz FEYJFKXBPWUZNZ-GWCFXTLKSA-N 0 3 236.334 3.450 20 0 BGADHN C[C@@H](N[C@H]1CCCC1(C)C)c1ccc(F)cn1 ZINC000092196516 384168017 /nfs/dbraw/zinc/16/80/17/384168017.db2.gz FEYJFKXBPWUZNZ-MFKMUULPSA-N 0 3 236.334 3.450 20 0 BGADHN CN(Cc1ccc(Cl)o1)CC(C)(C)C ZINC000092217572 345608251 /nfs/dbraw/zinc/60/82/51/345608251.db2.gz PJPRCSNBSBZGDO-UHFFFAOYSA-N 0 3 215.724 3.411 20 0 BGADHN CCc1ncc(CN(C)CC(C)(C)C)s1 ZINC000092217579 345608141 /nfs/dbraw/zinc/60/81/41/345608141.db2.gz ZTBITUDAQNYNPD-UHFFFAOYSA-N 0 3 226.389 3.183 20 0 BGADHN COc1ccsc1CN(C)CC(C)(C)C ZINC000092217611 360154919 /nfs/dbraw/zinc/15/49/19/360154919.db2.gz UNCLPVOMFJGYMC-UHFFFAOYSA-N 0 3 227.373 3.235 20 0 BGADHN Cc1ccn2c(CN(C)CC(C)(C)C)cnc2c1 ZINC000092217639 360156879 /nfs/dbraw/zinc/15/68/79/360156879.db2.gz DIFMRLYQVVDOKJ-UHFFFAOYSA-N 0 3 245.370 3.121 20 0 BGADHN Cc1cccn2c(CN(C)CC(C)(C)C)cnc12 ZINC000092217662 360156601 /nfs/dbraw/zinc/15/66/01/360156601.db2.gz FPZMPZNLQNIPRU-UHFFFAOYSA-N 0 3 245.370 3.121 20 0 BGADHN CN(Cc1c[nH]nc1C(C)(C)C)CC(C)(C)C ZINC000092217675 384168902 /nfs/dbraw/zinc/16/89/02/384168902.db2.gz CPIFTOPHMYYXFM-UHFFFAOYSA-N 0 3 237.391 3.185 20 0 BGADHN CC(=O)Nc1ccccc1CN(C)CC(C)(C)C ZINC000092217710 345608243 /nfs/dbraw/zinc/60/82/43/345608243.db2.gz XFAOXQIUJFPVAM-UHFFFAOYSA-N 0 3 248.370 3.123 20 0 BGADHN CN(Cc1cnc(C2CC2)s1)CC(C)(C)C ZINC000092217717 342749293 /nfs/dbraw/zinc/74/92/93/342749293.db2.gz MBWSOEKSPUUUNH-UHFFFAOYSA-N 0 3 238.400 3.498 20 0 BGADHN CN(Cc1cnn(C(C)(C)C)c1)CC(C)(C)C ZINC000092217729 345608599 /nfs/dbraw/zinc/60/85/99/345608599.db2.gz IMFFDGPRAMXUBK-UHFFFAOYSA-N 0 3 237.391 3.116 20 0 BGADHN Cc1ccc2ncc(CN(C)CC(C)(C)C)n2c1 ZINC000092217737 360156955 /nfs/dbraw/zinc/15/69/55/360156955.db2.gz PFCJAIWSSVZPRP-UHFFFAOYSA-N 0 3 245.370 3.121 20 0 BGADHN CC[C@@H](c1ccncc1)N(C)CC=C(C)C ZINC000092223848 344290672 /nfs/dbraw/zinc/29/06/72/344290672.db2.gz ZCJLNZRHWQYFPG-AWEZNQCLSA-N 0 3 218.344 3.431 20 0 BGADHN CC[C@H](c1ccncc1)N(C)CC=C(C)C ZINC000092223849 384169433 /nfs/dbraw/zinc/16/94/33/384169433.db2.gz ZCJLNZRHWQYFPG-CQSZACIVSA-N 0 3 218.344 3.431 20 0 BGADHN c1coc(CNC[C@@H]2CSc3ccccc32)c1 ZINC000092238093 360157785 /nfs/dbraw/zinc/15/77/85/360157785.db2.gz BTNLHCHDTRJOEJ-LLVKDONJSA-N 0 3 245.347 3.259 20 0 BGADHN c1coc(CNC[C@H]2CSc3ccccc32)c1 ZINC000092238096 360157945 /nfs/dbraw/zinc/15/79/45/360157945.db2.gz BTNLHCHDTRJOEJ-NSHDSACASA-N 0 3 245.347 3.259 20 0 BGADHN C[C@H](NC[C@@H]1COc2ccccc21)c1ccco1 ZINC000092299612 384171282 /nfs/dbraw/zinc/17/12/82/384171282.db2.gz YARGZJQODIGXQP-NWDGAFQWSA-N 0 3 243.306 3.106 20 0 BGADHN C[C@@H](NC[C@@H]1COc2ccccc21)c1ccco1 ZINC000092299615 384171372 /nfs/dbraw/zinc/17/13/72/384171372.db2.gz YARGZJQODIGXQP-VXGBXAGGSA-N 0 3 243.306 3.106 20 0 BGADHN C[C@H](NC[C@H]1COc2ccccc21)c1ccco1 ZINC000092299616 384171705 /nfs/dbraw/zinc/17/17/05/384171705.db2.gz YARGZJQODIGXQP-RYUDHWBXSA-N 0 3 243.306 3.106 20 0 BGADHN C[C@@H](NC[C@H]1COc2ccccc21)c1ccco1 ZINC000092299618 384172082 /nfs/dbraw/zinc/17/20/82/384172082.db2.gz YARGZJQODIGXQP-NEPJUHHUSA-N 0 3 243.306 3.106 20 0 BGADHN c1cc(CNC[C@@H]2COc3ccccc32)cs1 ZINC000092300930 384174729 /nfs/dbraw/zinc/17/47/29/384174729.db2.gz XHRUEJRIGDTBTC-GFCCVEGCSA-N 0 3 245.347 3.014 20 0 BGADHN c1cc(CNC[C@H]2COc3ccccc32)cs1 ZINC000092300931 384173523 /nfs/dbraw/zinc/17/35/23/384173523.db2.gz XHRUEJRIGDTBTC-LBPRGKRZSA-N 0 3 245.347 3.014 20 0 BGADHN Cc1noc(C)c1[C@@H](C)NCCc1ccccc1 ZINC000092328193 541345628 /nfs/dbraw/zinc/34/56/28/541345628.db2.gz RLIKCZBOSURIRM-LLVKDONJSA-N 0 3 244.338 3.185 20 0 BGADHN Cc1noc(C)c1[C@H](C)NCCc1ccccc1 ZINC000092328195 538106657 /nfs/dbraw/zinc/10/66/57/538106657.db2.gz RLIKCZBOSURIRM-NSHDSACASA-N 0 3 244.338 3.185 20 0 BGADHN Cc1noc(C)c1CN[C@@H]1CCCC(C)(C)C1 ZINC000092328840 360163323 /nfs/dbraw/zinc/16/33/23/360163323.db2.gz OLUPZFMOKDRCKX-GFCCVEGCSA-N 0 3 236.359 3.350 20 0 BGADHN Cc1noc(C)c1CN[C@H]1CCCC(C)(C)C1 ZINC000092328841 360163189 /nfs/dbraw/zinc/16/31/89/360163189.db2.gz OLUPZFMOKDRCKX-LBPRGKRZSA-N 0 3 236.359 3.350 20 0 BGADHN Cc1noc(C)c1CN[C@@H]1CCC[C@H](C)CC1 ZINC000092328911 488089062 /nfs/dbraw/zinc/08/90/62/488089062.db2.gz XEHUTROSZIJOKI-GXFFZTMASA-N 0 3 236.359 3.350 20 0 BGADHN Cc1noc(C)c1CN[C@H]1CCC[C@H](C)CC1 ZINC000092328913 488088966 /nfs/dbraw/zinc/08/89/66/488088966.db2.gz XEHUTROSZIJOKI-GWCFXTLKSA-N 0 3 236.359 3.350 20 0 BGADHN Cc1noc(C)c1CN[C@@H]1CCC[C@@H](C)CC1 ZINC000092328915 488088893 /nfs/dbraw/zinc/08/88/93/488088893.db2.gz XEHUTROSZIJOKI-ZWNOBZJWSA-N 0 3 236.359 3.350 20 0 BGADHN Cc1noc(C)c1CN[C@H]1CCC[C@@H](C)CC1 ZINC000092328917 488089258 /nfs/dbraw/zinc/08/92/58/488089258.db2.gz XEHUTROSZIJOKI-MFKMUULPSA-N 0 3 236.359 3.350 20 0 BGADHN Cc1noc(C)c1CNCC1CCCCCC1 ZINC000092329182 360163290 /nfs/dbraw/zinc/16/32/90/360163290.db2.gz MVHZTTWQILDUCC-UHFFFAOYSA-N 0 3 236.359 3.351 20 0 BGADHN CC(C)[C@@H](CO)N[C@@H](C)c1cc2ccccc2o1 ZINC000092393256 384176884 /nfs/dbraw/zinc/17/68/84/384176884.db2.gz MUCZSGZEPKUOLX-WCQYABFASA-N 0 3 247.338 3.100 20 0 BGADHN CC(C)[C@H](CO)N[C@@H](C)c1cc2ccccc2o1 ZINC000092393258 398205071 /nfs/dbraw/zinc/20/50/71/398205071.db2.gz MUCZSGZEPKUOLX-AAEUAGOBSA-N 0 3 247.338 3.100 20 0 BGADHN CC(C)[C@@H](CO)N[C@H](C)c1cc2ccccc2o1 ZINC000092393260 384176720 /nfs/dbraw/zinc/17/67/20/384176720.db2.gz MUCZSGZEPKUOLX-DGCLKSJQSA-N 0 3 247.338 3.100 20 0 BGADHN CC(C)[C@H](CO)N[C@H](C)c1cc2ccccc2o1 ZINC000092393262 535038496 /nfs/dbraw/zinc/03/84/96/535038496.db2.gz MUCZSGZEPKUOLX-YPMHNXCESA-N 0 3 247.338 3.100 20 0 BGADHN CCN(Cc1ccc(C)s1)C[C@@H]1CCCO1 ZINC000092407119 360171000 /nfs/dbraw/zinc/17/10/00/360171000.db2.gz WPGZMYTVZDJFMD-LBPRGKRZSA-N 0 3 239.384 3.057 20 0 BGADHN CCN(Cc1ccc(C)s1)C[C@H]1CCCO1 ZINC000092407120 360170995 /nfs/dbraw/zinc/17/09/95/360170995.db2.gz WPGZMYTVZDJFMD-GFCCVEGCSA-N 0 3 239.384 3.057 20 0 BGADHN CCN(Cc1sccc1C)C[C@@H]1CCCO1 ZINC000092407634 344294969 /nfs/dbraw/zinc/29/49/69/344294969.db2.gz CQZMJYWLASLTBX-LBPRGKRZSA-N 0 3 239.384 3.057 20 0 BGADHN CCN(Cc1sccc1C)C[C@H]1CCCO1 ZINC000092407636 344294800 /nfs/dbraw/zinc/29/48/00/344294800.db2.gz CQZMJYWLASLTBX-GFCCVEGCSA-N 0 3 239.384 3.057 20 0 BGADHN COCCN1CC=C(c2cc(C)cc(C)c2)CC1 ZINC000092428198 360171607 /nfs/dbraw/zinc/17/16/07/360171607.db2.gz BTUDXXZZYMROMV-UHFFFAOYSA-N 0 3 245.366 3.039 20 0 BGADHN Cc1cccc(CNCCC2CCCCC2)n1 ZINC000092428373 344294917 /nfs/dbraw/zinc/29/49/17/344294917.db2.gz JHOUMQPQQUAHQR-UHFFFAOYSA-N 0 3 232.371 3.450 20 0 BGADHN Cc1cccc(CN[C@@H](C)Cc2ccsc2)n1 ZINC000092428474 388805792 /nfs/dbraw/zinc/80/57/92/388805792.db2.gz SWDMBAUUIOZLCC-LBPRGKRZSA-N 0 3 246.379 3.172 20 0 BGADHN Cc1cccc(CN[C@H](C)Cc2ccsc2)n1 ZINC000092428476 388804824 /nfs/dbraw/zinc/80/48/24/388804824.db2.gz SWDMBAUUIOZLCC-GFCCVEGCSA-N 0 3 246.379 3.172 20 0 BGADHN Cc1cccc(CCNCc2cccc(C)n2)c1 ZINC000092428654 344294870 /nfs/dbraw/zinc/29/48/70/344294870.db2.gz YJLZLKZKPZOXDB-UHFFFAOYSA-N 0 3 240.350 3.031 20 0 BGADHN Cc1cccc(CN[C@@H](C)Cc2cccs2)n1 ZINC000092428797 538106976 /nfs/dbraw/zinc/10/69/76/538106976.db2.gz GNESIMGUOIVSHM-LBPRGKRZSA-N 0 3 246.379 3.172 20 0 BGADHN Cc1cccc(CN[C@H](C)Cc2cccs2)n1 ZINC000092428800 538106987 /nfs/dbraw/zinc/10/69/87/538106987.db2.gz GNESIMGUOIVSHM-GFCCVEGCSA-N 0 3 246.379 3.172 20 0 BGADHN CCN(Cc1cnn(C)c1)CC1CCC(C)CC1 ZINC000092438252 360171412 /nfs/dbraw/zinc/17/14/12/360171412.db2.gz ZNZDZUBXZOISKP-UHFFFAOYSA-N 0 3 249.402 3.068 20 0 BGADHN C[C@@H]1CCN(Cc2cc3cc(F)ccc3o2)C1 ZINC000092471220 345622361 /nfs/dbraw/zinc/62/23/61/345622361.db2.gz WKJPZTJZCQGMHK-SNVBAGLBSA-N 0 3 233.286 3.414 20 0 BGADHN C[C@H]1CCN(Cc2cc3cc(F)ccc3o2)C1 ZINC000092471221 345623591 /nfs/dbraw/zinc/62/35/91/345623591.db2.gz WKJPZTJZCQGMHK-JTQLQIEISA-N 0 3 233.286 3.414 20 0 BGADHN CC(C)c1ncc(CN2CC[C@@H](C)C2)s1 ZINC000092471228 345623494 /nfs/dbraw/zinc/62/34/94/345623494.db2.gz CIIJAELWKILZGX-SNVBAGLBSA-N 0 3 224.373 3.108 20 0 BGADHN CC(C)c1ncc(CN2CC[C@H](C)C2)s1 ZINC000092471229 345623192 /nfs/dbraw/zinc/62/31/92/345623192.db2.gz CIIJAELWKILZGX-JTQLQIEISA-N 0 3 224.373 3.108 20 0 BGADHN COc1cccc(Cl)c1CN1CC[C@@H](C)C1 ZINC000092471289 345623153 /nfs/dbraw/zinc/62/31/53/345623153.db2.gz QFKFCTMOCPQDIV-SNVBAGLBSA-N 0 3 239.746 3.190 20 0 BGADHN COc1cccc(Cl)c1CN1CC[C@H](C)C1 ZINC000092471290 345622958 /nfs/dbraw/zinc/62/29/58/345622958.db2.gz QFKFCTMOCPQDIV-JTQLQIEISA-N 0 3 239.746 3.190 20 0 BGADHN COc1ccccc1/C=C/CN1CC[C@@H](C)C1 ZINC000092471443 345623347 /nfs/dbraw/zinc/62/33/47/345623347.db2.gz FMUTXMIVAPKZCL-VUDGCMKMSA-N 0 3 231.339 3.050 20 0 BGADHN COc1ccccc1/C=C/CN1CC[C@H](C)C1 ZINC000092471444 345623061 /nfs/dbraw/zinc/62/30/61/345623061.db2.gz FMUTXMIVAPKZCL-IYNGYCSASA-N 0 3 231.339 3.050 20 0 BGADHN C[C@H]1C[C@H]1c1ccc(CN2CC[C@@H](C)C2)o1 ZINC000092471457 345623514 /nfs/dbraw/zinc/62/35/14/345623514.db2.gz HDEQTYGTSJWJFP-NTZNESFSSA-N 0 3 219.328 3.245 20 0 BGADHN C[C@@H]1CCN(Cc2cnc(C(C)(C)C)s2)C1 ZINC000092471544 345623205 /nfs/dbraw/zinc/62/32/05/345623205.db2.gz ITCDJYOWFGCNNP-SNVBAGLBSA-N 0 3 238.400 3.282 20 0 BGADHN C[C@H]1CCN(Cc2cnc(C(C)(C)C)s2)C1 ZINC000092471545 345623167 /nfs/dbraw/zinc/62/31/67/345623167.db2.gz ITCDJYOWFGCNNP-JTQLQIEISA-N 0 3 238.400 3.282 20 0 BGADHN C[C@@H]1CCN(Cc2cnc(C3CCC3)s2)C1 ZINC000092471628 345624364 /nfs/dbraw/zinc/62/43/64/345624364.db2.gz LUXWUENUWOYNNT-SNVBAGLBSA-N 0 3 236.384 3.252 20 0 BGADHN C[C@H]1CCN(Cc2cnc(C3CCC3)s2)C1 ZINC000092471629 345624177 /nfs/dbraw/zinc/62/41/77/345624177.db2.gz LUXWUENUWOYNNT-JTQLQIEISA-N 0 3 236.384 3.252 20 0 BGADHN CC(C)Cc1ncc(CN2CC[C@@H](C)C2)s1 ZINC000092471709 345624268 /nfs/dbraw/zinc/62/42/68/345624268.db2.gz RPKPRKQFTWMZTC-LLVKDONJSA-N 0 3 238.400 3.183 20 0 BGADHN CC(C)Cc1ncc(CN2CC[C@H](C)C2)s1 ZINC000092471710 345624117 /nfs/dbraw/zinc/62/41/17/345624117.db2.gz RPKPRKQFTWMZTC-NSHDSACASA-N 0 3 238.400 3.183 20 0 BGADHN CN(CCC(F)(F)F)C[C@H]1CC=CCC1 ZINC000092478084 387212461 /nfs/dbraw/zinc/21/24/61/387212461.db2.gz ZNRILUIHPKPKQR-JTQLQIEISA-N 0 3 221.266 3.227 20 0 BGADHN CN(CCC(F)(F)F)C[C@@H]1CC=CCC1 ZINC000092478089 387213681 /nfs/dbraw/zinc/21/36/81/387213681.db2.gz ZNRILUIHPKPKQR-SNVBAGLBSA-N 0 3 221.266 3.227 20 0 BGADHN C[C@@H](c1ccco1)N(CC1=CCCOC1)C1CC1 ZINC000092484112 176031677 /nfs/dbraw/zinc/03/16/77/176031677.db2.gz ZIKSNVHWOMIBBB-LBPRGKRZSA-N 0 3 247.338 3.152 20 0 BGADHN C[C@H](c1ccco1)N(CC1=CCCOC1)C1CC1 ZINC000092484113 177047288 /nfs/dbraw/zinc/04/72/88/177047288.db2.gz ZIKSNVHWOMIBBB-GFCCVEGCSA-N 0 3 247.338 3.152 20 0 BGADHN Cc1ccc(CN(Cc2cnc[nH]2)C(C)C)s1 ZINC000092485279 384181042 /nfs/dbraw/zinc/18/10/42/384181042.db2.gz HGJFZHBEQXDTPN-UHFFFAOYSA-N 0 3 249.383 3.190 20 0 BGADHN COCc1ccc(CN2CCC[C@H]3CCC[C@@H]32)o1 ZINC000092485411 384181650 /nfs/dbraw/zinc/18/16/50/384181650.db2.gz PDKVKPIJOMPINL-DOMZBBRYSA-N 0 3 249.354 3.191 20 0 BGADHN COCc1ccc(CN2CCC[C@@H]3CCC[C@@H]32)o1 ZINC000092485413 384181919 /nfs/dbraw/zinc/18/19/19/384181919.db2.gz PDKVKPIJOMPINL-WFASDCNBSA-N 0 3 249.354 3.191 20 0 BGADHN COc1ccccc1CN1CCC[C@H]2CCC[C@@H]21 ZINC000092485767 175327344 /nfs/dbraw/zinc/32/73/44/175327344.db2.gz LBVXLEKZHJCOGH-HIFRSBDPSA-N 0 3 245.366 3.460 20 0 BGADHN COc1ccccc1CN1CCC[C@@H]2CCC[C@@H]21 ZINC000092485770 175327889 /nfs/dbraw/zinc/32/78/89/175327889.db2.gz LBVXLEKZHJCOGH-ZFWWWQNUSA-N 0 3 245.366 3.460 20 0 BGADHN Cc1ncccc1CN1CCC[C@H]2CCC[C@@H]21 ZINC000092485833 180221514 /nfs/dbraw/zinc/22/15/14/180221514.db2.gz QMCNOTFRLSPCFJ-HIFRSBDPSA-N 0 3 230.355 3.155 20 0 BGADHN Cc1ncccc1CN1CCC[C@@H]2CCC[C@@H]21 ZINC000092485836 180218536 /nfs/dbraw/zinc/21/85/36/180218536.db2.gz QMCNOTFRLSPCFJ-ZFWWWQNUSA-N 0 3 230.355 3.155 20 0 BGADHN CCOCCN(CC)Cc1coc2ccccc12 ZINC000092537667 360178075 /nfs/dbraw/zinc/17/80/75/360178075.db2.gz OTQWRKGPIQDUSC-UHFFFAOYSA-N 0 3 247.338 3.291 20 0 BGADHN Cc1ccc(CN2C[C@@H](C)S[C@@H](C)C2)s1 ZINC000092540548 384183873 /nfs/dbraw/zinc/18/38/73/384183873.db2.gz JINQCZJNXZYMAL-PHIMTYICSA-N 0 3 241.425 3.382 20 0 BGADHN Cc1ccc(CN2C[C@@H](C)S[C@H](C)C2)s1 ZINC000092540550 325714867 /nfs/dbraw/zinc/71/48/67/325714867.db2.gz JINQCZJNXZYMAL-GHMZBOCLSA-N 0 3 241.425 3.382 20 0 BGADHN Cc1ccc(CN2C[C@H](C)S[C@@H](C)C2)s1 ZINC000092540552 325714383 /nfs/dbraw/zinc/71/43/83/325714383.db2.gz JINQCZJNXZYMAL-QWRGUYRKSA-N 0 3 241.425 3.382 20 0 BGADHN Cc1cc(CN2C[C@@H](C)S[C@@H](C)C2)c(C)o1 ZINC000092540965 631555680 /nfs/dbraw/zinc/55/56/80/631555680.db2.gz CXCMWBNSJZSPHZ-PHIMTYICSA-N 0 3 239.384 3.222 20 0 BGADHN Cc1cc(CN2C[C@@H](C)S[C@H](C)C2)c(C)o1 ZINC000092540967 644662673 /nfs/dbraw/zinc/66/26/73/644662673.db2.gz CXCMWBNSJZSPHZ-GHMZBOCLSA-N 0 3 239.384 3.222 20 0 BGADHN Cc1cc(CN2C[C@H](C)S[C@@H](C)C2)c(C)o1 ZINC000092540969 644662175 /nfs/dbraw/zinc/66/21/75/644662175.db2.gz CXCMWBNSJZSPHZ-QWRGUYRKSA-N 0 3 239.384 3.222 20 0 BGADHN Cc1ccsc1CN1C[C@@H](C)S[C@@H](C)C1 ZINC000092540989 388809952 /nfs/dbraw/zinc/80/99/52/388809952.db2.gz RKWKTXYYWBMIEO-PHIMTYICSA-N 0 3 241.425 3.382 20 0 BGADHN Cc1ccsc1CN1C[C@@H](C)S[C@H](C)C1 ZINC000092540990 325714738 /nfs/dbraw/zinc/71/47/38/325714738.db2.gz RKWKTXYYWBMIEO-GHMZBOCLSA-N 0 3 241.425 3.382 20 0 BGADHN Cc1ccsc1CN1C[C@H](C)S[C@@H](C)C1 ZINC000092540991 325714695 /nfs/dbraw/zinc/71/46/95/325714695.db2.gz RKWKTXYYWBMIEO-QWRGUYRKSA-N 0 3 241.425 3.382 20 0 BGADHN C[C@@H]1CN(Cc2cccs2)C[C@H](C)S1 ZINC000092541323 384183431 /nfs/dbraw/zinc/18/34/31/384183431.db2.gz OPJRLUIRPJSISI-AOOOYVTPSA-N 0 3 227.398 3.074 20 0 BGADHN C[C@H]1CN(Cc2cccs2)C[C@H](C)S1 ZINC000092541325 325714474 /nfs/dbraw/zinc/71/44/74/325714474.db2.gz OPJRLUIRPJSISI-UWVGGRQHSA-N 0 3 227.398 3.074 20 0 BGADHN C[C@@H]1CN(Cc2cccs2)C[C@@H](C)S1 ZINC000092541327 388810598 /nfs/dbraw/zinc/81/05/98/388810598.db2.gz OPJRLUIRPJSISI-NXEZZACHSA-N 0 3 227.398 3.074 20 0 BGADHN C[C@@H]1CN(Cc2ccsc2)C[C@H](C)S1 ZINC000092541334 384184025 /nfs/dbraw/zinc/18/40/25/384184025.db2.gz ISSCHWCACQXFJZ-AOOOYVTPSA-N 0 3 227.398 3.074 20 0 BGADHN C[C@H]1CN(Cc2ccsc2)C[C@H](C)S1 ZINC000092541335 388810706 /nfs/dbraw/zinc/81/07/06/388810706.db2.gz ISSCHWCACQXFJZ-UWVGGRQHSA-N 0 3 227.398 3.074 20 0 BGADHN C[C@@H]1CN(Cc2ccsc2)C[C@@H](C)S1 ZINC000092541337 325714446 /nfs/dbraw/zinc/71/44/46/325714446.db2.gz ISSCHWCACQXFJZ-NXEZZACHSA-N 0 3 227.398 3.074 20 0 BGADHN COCCN(Cc1ccco1)C[C@H]1CC=CCC1 ZINC000092561576 360180290 /nfs/dbraw/zinc/18/02/90/360180290.db2.gz GESKNEJBTKLMLF-AWEZNQCLSA-N 0 3 249.354 3.084 20 0 BGADHN COCCN(Cc1ccco1)C[C@@H]1CC=CCC1 ZINC000092561579 360180150 /nfs/dbraw/zinc/18/01/50/360180150.db2.gz GESKNEJBTKLMLF-CQSZACIVSA-N 0 3 249.354 3.084 20 0 BGADHN CCC(CC)CN(CCOC)Cc1ccco1 ZINC000092562711 360179637 /nfs/dbraw/zinc/17/96/37/360179637.db2.gz OOLVREYXDAZRMM-UHFFFAOYSA-N 0 3 239.359 3.164 20 0 BGADHN COCCN(Cc1ccc(Cl)o1)CC(C)C ZINC000092563121 345639307 /nfs/dbraw/zinc/63/93/07/345639307.db2.gz VXBQEPCSNFJWCH-UHFFFAOYSA-N 0 3 245.750 3.037 20 0 BGADHN CCC(CC)N(CCOC)Cc1ccc(C)o1 ZINC000092565841 360179508 /nfs/dbraw/zinc/17/95/08/360179508.db2.gz XUXDPPSTTIKDCL-UHFFFAOYSA-N 0 3 239.359 3.225 20 0 BGADHN CCC(CC)N(CCOC)Cc1occc1C ZINC000092565986 360180098 /nfs/dbraw/zinc/18/00/98/360180098.db2.gz HOGQHOIULFPBOY-UHFFFAOYSA-N 0 3 239.359 3.225 20 0 BGADHN CCc1cc(CNC[C@@H]2CCC[C@H](C)C2)on1 ZINC000092566323 345639506 /nfs/dbraw/zinc/63/95/06/345639506.db2.gz YUWSYWLVBRUZGT-NWDGAFQWSA-N 0 3 236.359 3.153 20 0 BGADHN CCc1cc(CNC[C@H]2CCC[C@H](C)C2)on1 ZINC000092566324 345639072 /nfs/dbraw/zinc/63/90/72/345639072.db2.gz YUWSYWLVBRUZGT-RYUDHWBXSA-N 0 3 236.359 3.153 20 0 BGADHN CCc1cc(CNC[C@@H]2CCC[C@@H](C)C2)on1 ZINC000092566325 345639326 /nfs/dbraw/zinc/63/93/26/345639326.db2.gz YUWSYWLVBRUZGT-VXGBXAGGSA-N 0 3 236.359 3.153 20 0 BGADHN CCc1cc(CNC[C@H]2CCC[C@@H](C)C2)on1 ZINC000092566326 345639181 /nfs/dbraw/zinc/63/91/81/345639181.db2.gz YUWSYWLVBRUZGT-NEPJUHHUSA-N 0 3 236.359 3.153 20 0 BGADHN Cc1cnc(CNC[C@@H]2CCC[C@H](C)C2)s1 ZINC000092566581 360179727 /nfs/dbraw/zinc/17/97/27/360179727.db2.gz AOGLMGPXFHLTRI-CMPLNLGQSA-N 0 3 238.400 3.367 20 0 BGADHN Cc1cnc(CNC[C@H]2CCC[C@H](C)C2)s1 ZINC000092566582 360179701 /nfs/dbraw/zinc/17/97/01/360179701.db2.gz AOGLMGPXFHLTRI-JQWIXIFHSA-N 0 3 238.400 3.367 20 0 BGADHN Cc1cnc(CNC[C@@H]2CCC[C@@H](C)C2)s1 ZINC000092566583 135578325 /nfs/dbraw/zinc/57/83/25/135578325.db2.gz AOGLMGPXFHLTRI-ZYHUDNBSSA-N 0 3 238.400 3.367 20 0 BGADHN Cc1cnc(CNC[C@H]2CCC[C@@H](C)C2)s1 ZINC000092566584 360180280 /nfs/dbraw/zinc/18/02/80/360180280.db2.gz AOGLMGPXFHLTRI-PWSUYJOCSA-N 0 3 238.400 3.367 20 0 BGADHN C[C@@H]1CCC[C@H](CNCc2ncccc2F)C1 ZINC000092568183 325715827 /nfs/dbraw/zinc/71/58/27/325715827.db2.gz MRARBCVZJNEMKU-NEPJUHHUSA-N 0 3 236.334 3.137 20 0 BGADHN C[C@H]1CCC[C@H](CNCc2ncccc2F)C1 ZINC000092568184 388812185 /nfs/dbraw/zinc/81/21/85/388812185.db2.gz MRARBCVZJNEMKU-RYUDHWBXSA-N 0 3 236.334 3.137 20 0 BGADHN C[C@@H]1CCC[C@@H](CNCc2ncccc2F)C1 ZINC000092568185 388811948 /nfs/dbraw/zinc/81/19/48/388811948.db2.gz MRARBCVZJNEMKU-VXGBXAGGSA-N 0 3 236.334 3.137 20 0 BGADHN C[C@H]1CCC[C@@H](CNCc2ncccc2F)C1 ZINC000092568186 388811673 /nfs/dbraw/zinc/81/16/73/388811673.db2.gz MRARBCVZJNEMKU-NWDGAFQWSA-N 0 3 236.334 3.137 20 0 BGADHN CCc1ncc(CN2CCC[C@H](C)CC2)s1 ZINC000092586120 345640585 /nfs/dbraw/zinc/64/05/85/345640585.db2.gz UEBSFZKEXYBIOQ-NSHDSACASA-N 0 3 238.400 3.328 20 0 BGADHN CCc1ncc(CN2CCC[C@@H](C)CC2)s1 ZINC000092586121 345640632 /nfs/dbraw/zinc/64/06/32/345640632.db2.gz UEBSFZKEXYBIOQ-LLVKDONJSA-N 0 3 238.400 3.328 20 0 BGADHN COCc1ccc(CN2CCC[C@@H](C)CC2)o1 ZINC000092586128 345640469 /nfs/dbraw/zinc/64/04/69/345640469.db2.gz RHPUAJHZJIPTFQ-GFCCVEGCSA-N 0 3 237.343 3.048 20 0 BGADHN COCc1ccc(CN2CCC[C@H](C)CC2)o1 ZINC000092586129 345640973 /nfs/dbraw/zinc/64/09/73/345640973.db2.gz RHPUAJHZJIPTFQ-LBPRGKRZSA-N 0 3 237.343 3.048 20 0 BGADHN C[C@@H]1CCCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000092586376 360183682 /nfs/dbraw/zinc/18/36/82/360183682.db2.gz ZRXLVSXAOLGYLB-CYBMUJFWSA-N 0 3 249.402 3.260 20 0 BGADHN C[C@H]1CCCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000092586377 360183370 /nfs/dbraw/zinc/18/33/70/360183370.db2.gz ZRXLVSXAOLGYLB-ZDUSSCGKSA-N 0 3 249.402 3.260 20 0 BGADHN CCN(Cc1cncs1)[C@@H](C)C(C)C ZINC000092590189 360185342 /nfs/dbraw/zinc/18/53/42/360185342.db2.gz AYVGCGMTLXSAEH-JTQLQIEISA-N 0 3 212.362 3.010 20 0 BGADHN CCN(Cc1cncs1)[C@H](C)C(C)C ZINC000092590192 360185245 /nfs/dbraw/zinc/18/52/45/360185245.db2.gz AYVGCGMTLXSAEH-SNVBAGLBSA-N 0 3 212.362 3.010 20 0 BGADHN CC[N@@H+](Cc1cccc([O-])c1)[C@@H](C)C(C)C ZINC000092590443 360185454 /nfs/dbraw/zinc/18/54/54/360185454.db2.gz BHIXMWUISVWVSK-LBPRGKRZSA-N 0 3 221.344 3.259 20 0 BGADHN CC[N@H+](Cc1cccc([O-])c1)[C@@H](C)C(C)C ZINC000092590443 360185449 /nfs/dbraw/zinc/18/54/49/360185449.db2.gz BHIXMWUISVWVSK-LBPRGKRZSA-N 0 3 221.344 3.259 20 0 BGADHN CC[N@@H+](Cc1cccc([O-])c1)[C@H](C)C(C)C ZINC000092590445 360184372 /nfs/dbraw/zinc/18/43/72/360184372.db2.gz BHIXMWUISVWVSK-GFCCVEGCSA-N 0 3 221.344 3.259 20 0 BGADHN CC[N@H+](Cc1cccc([O-])c1)[C@H](C)C(C)C ZINC000092590445 360184368 /nfs/dbraw/zinc/18/43/68/360184368.db2.gz BHIXMWUISVWVSK-GFCCVEGCSA-N 0 3 221.344 3.259 20 0 BGADHN CN(Cc1cnccn1)CC1CCC(C)(C)CC1 ZINC000092591251 384186382 /nfs/dbraw/zinc/18/63/82/384186382.db2.gz CLHCJRNCLNVLKR-UHFFFAOYSA-N 0 3 247.386 3.125 20 0 BGADHN c1nc(CN2CCC[C@@H]2CC2CCCCC2)c[nH]1 ZINC000092644141 360187542 /nfs/dbraw/zinc/18/75/42/360187542.db2.gz ITKPODKKEHTEBJ-OAHLLOKOSA-N 0 3 247.386 3.345 20 0 BGADHN c1nc(CN2CCC[C@H]2CC2CCCCC2)c[nH]1 ZINC000092644142 360187673 /nfs/dbraw/zinc/18/76/73/360187673.db2.gz ITKPODKKEHTEBJ-HNNXBMFYSA-N 0 3 247.386 3.345 20 0 BGADHN c1cc(CN2CCC[C@@H]2CC2CCCCC2)n[nH]1 ZINC000092644166 360187562 /nfs/dbraw/zinc/18/75/62/360187562.db2.gz OAJRXPLUYZZSEP-OAHLLOKOSA-N 0 3 247.386 3.345 20 0 BGADHN c1cc(CN2CCC[C@H]2CC2CCCCC2)n[nH]1 ZINC000092644167 360187872 /nfs/dbraw/zinc/18/78/72/360187872.db2.gz OAJRXPLUYZZSEP-HNNXBMFYSA-N 0 3 247.386 3.345 20 0 BGADHN COCc1ccc(CN(C)CC2CCCC2)o1 ZINC000092667156 384187377 /nfs/dbraw/zinc/18/73/77/384187377.db2.gz JSWKUIMBGSBCLI-UHFFFAOYSA-N 0 3 237.343 3.048 20 0 BGADHN COc1ccsc1CN(C)CC1CCCC1 ZINC000092667216 345634616 /nfs/dbraw/zinc/63/46/16/345634616.db2.gz HMAIVNBYSSALNI-UHFFFAOYSA-N 0 3 239.384 3.379 20 0 BGADHN CCn1nc(C)c(CN(C)CC2CCCC2)c1C ZINC000092667270 360188966 /nfs/dbraw/zinc/18/89/66/360188966.db2.gz MSNSKUQBWKXGNC-UHFFFAOYSA-N 0 3 249.402 3.142 20 0 BGADHN CN(Cc1c[nH]nc1C(C)(C)C)CC1CCCC1 ZINC000092667350 384187099 /nfs/dbraw/zinc/18/70/99/384187099.db2.gz PQIQYLNPMUXFIN-UHFFFAOYSA-N 0 3 249.402 3.329 20 0 BGADHN Cc1ccoc1CN(C)CC1CCCC1 ZINC000092667364 360188660 /nfs/dbraw/zinc/18/86/60/360188660.db2.gz YRURIYAPNDKQFJ-UHFFFAOYSA-N 0 3 207.317 3.210 20 0 BGADHN CN(Cc1cnn(C(C)(C)C)c1)CC1CCCC1 ZINC000092667473 360189054 /nfs/dbraw/zinc/18/90/54/360189054.db2.gz JKDFFOXXPVQUPF-UHFFFAOYSA-N 0 3 249.402 3.260 20 0 BGADHN CCC[N@@H+](Cc1ccoc1)Cc1ccccc1[O-] ZINC000092705044 643165321 /nfs/dbraw/zinc/16/53/21/643165321.db2.gz QIARMZVPRMKBSS-UHFFFAOYSA-N 0 3 245.322 3.397 20 0 BGADHN CCC[N@H+](Cc1ccoc1)Cc1ccccc1[O-] ZINC000092705044 643165318 /nfs/dbraw/zinc/16/53/18/643165318.db2.gz QIARMZVPRMKBSS-UHFFFAOYSA-N 0 3 245.322 3.397 20 0 BGADHN c1c[nH]c([C@@H]2CCCCN2C[C@H]2CC=CCC2)n1 ZINC000092728581 384191137 /nfs/dbraw/zinc/19/11/37/384191137.db2.gz XJEHLOUZXMJBKA-KBPBESRZSA-N 0 3 245.370 3.293 20 0 BGADHN c1c[nH]c([C@H]2CCCCN2C[C@H]2CC=CCC2)n1 ZINC000092728582 188318863 /nfs/dbraw/zinc/31/88/63/188318863.db2.gz XJEHLOUZXMJBKA-UONOGXRCSA-N 0 3 245.370 3.293 20 0 BGADHN CCc1ncc(CN2CCC[C@H](C)[C@@H]2C)s1 ZINC000092737160 345637865 /nfs/dbraw/zinc/63/78/65/345637865.db2.gz RPEBICSHTKNMNZ-QWRGUYRKSA-N 0 3 238.400 3.326 20 0 BGADHN CCc1ncc(CN2CCC[C@@H](C)[C@@H]2C)s1 ZINC000092737161 345637374 /nfs/dbraw/zinc/63/73/74/345637374.db2.gz RPEBICSHTKNMNZ-MNOVXSKESA-N 0 3 238.400 3.326 20 0 BGADHN COCc1ccc(CN2CCC[C@@H](C)[C@H]2C)o1 ZINC000092737170 345637390 /nfs/dbraw/zinc/63/73/90/345637390.db2.gz RFAQCUMOKCFLDJ-VXGBXAGGSA-N 0 3 237.343 3.046 20 0 BGADHN COCc1ccc(CN2CCC[C@H](C)[C@H]2C)o1 ZINC000092737171 345637969 /nfs/dbraw/zinc/63/79/69/345637969.db2.gz RFAQCUMOKCFLDJ-NWDGAFQWSA-N 0 3 237.343 3.046 20 0 BGADHN COc1ccsc1CN1CCC[C@@H](C)[C@H]1C ZINC000092737208 345637731 /nfs/dbraw/zinc/63/77/31/345637731.db2.gz YVZDDIXOFHTYNT-GHMZBOCLSA-N 0 3 239.384 3.377 20 0 BGADHN COc1ccsc1CN1CCC[C@H](C)[C@H]1C ZINC000092737209 345637874 /nfs/dbraw/zinc/63/78/74/345637874.db2.gz YVZDDIXOFHTYNT-WDEREUQCSA-N 0 3 239.384 3.377 20 0 BGADHN Cc1ncsc1CN1CCC[C@H](C)[C@@H]1C ZINC000092737350 180316287 /nfs/dbraw/zinc/31/62/87/180316287.db2.gz VONYODCUBGVMNL-ONGXEEELSA-N 0 3 224.373 3.072 20 0 BGADHN Cc1ncsc1CN1CCC[C@@H](C)[C@@H]1C ZINC000092737351 180314806 /nfs/dbraw/zinc/31/48/06/180314806.db2.gz VONYODCUBGVMNL-KOLCDFICSA-N 0 3 224.373 3.072 20 0 BGADHN C[C@@H]1CCCN(Cc2cnn(C(C)(C)C)c2)[C@@H]1C ZINC000092737372 360192866 /nfs/dbraw/zinc/19/28/66/360192866.db2.gz VYSHEUSEGWWEDU-CHWSQXEVSA-N 0 3 249.402 3.259 20 0 BGADHN C[C@@H]1[C@@H](C)CCCN1Cc1cnn(C(C)(C)C)c1 ZINC000092737373 360193168 /nfs/dbraw/zinc/19/31/68/360193168.db2.gz VYSHEUSEGWWEDU-QWHCGFSZSA-N 0 3 249.402 3.259 20 0 BGADHN CCC(CC)CN[C@@H](C)c1ccc(F)cn1 ZINC000092747243 168363446 /nfs/dbraw/zinc/36/34/46/168363446.db2.gz UCFNZPSPRUTMLA-JTQLQIEISA-N 0 3 224.323 3.308 20 0 BGADHN CCC(CC)CN[C@H](C)c1ccc(F)cn1 ZINC000092747246 168364194 /nfs/dbraw/zinc/36/41/94/168364194.db2.gz UCFNZPSPRUTMLA-SNVBAGLBSA-N 0 3 224.323 3.308 20 0 BGADHN C[C@@H](N[C@@H](C)c1ccc(F)cn1)C(C)(C)C ZINC000092748705 488102424 /nfs/dbraw/zinc/10/24/24/488102424.db2.gz ZSSMGMXHMAKWBC-VHSXEESVSA-N 0 3 224.323 3.306 20 0 BGADHN C[C@@H](N[C@H](C)C(C)(C)C)c1ccc(F)cn1 ZINC000092748706 488101900 /nfs/dbraw/zinc/10/19/00/488101900.db2.gz ZSSMGMXHMAKWBC-NXEZZACHSA-N 0 3 224.323 3.306 20 0 BGADHN CSCCCCN[C@@H](C)c1ccc(F)cn1 ZINC000092750690 360193343 /nfs/dbraw/zinc/19/33/43/360193343.db2.gz DSYOOOIVZSYZBL-JTQLQIEISA-N 0 3 242.363 3.015 20 0 BGADHN CSCCCCN[C@H](C)c1ccc(F)cn1 ZINC000092750692 360194017 /nfs/dbraw/zinc/19/40/17/360194017.db2.gz DSYOOOIVZSYZBL-SNVBAGLBSA-N 0 3 242.363 3.015 20 0 BGADHN CC[C@H](N[C@@H](C)c1cccnc1)c1ccncc1 ZINC000092752376 384190995 /nfs/dbraw/zinc/19/09/95/384190995.db2.gz HWHACKSROMJNLF-WFASDCNBSA-N 0 3 241.338 3.279 20 0 BGADHN CC[C@@H](N[C@@H](C)c1cccnc1)c1ccncc1 ZINC000092752378 344303075 /nfs/dbraw/zinc/30/30/75/344303075.db2.gz HWHACKSROMJNLF-SWLSCSKDSA-N 0 3 241.338 3.279 20 0 BGADHN CC[C@H](N[C@H](C)c1cccnc1)c1ccncc1 ZINC000092752381 384191362 /nfs/dbraw/zinc/19/13/62/384191362.db2.gz HWHACKSROMJNLF-DOMZBBRYSA-N 0 3 241.338 3.279 20 0 BGADHN CC[C@@H](N[C@H](C)c1cccnc1)c1ccncc1 ZINC000092752383 170912463 /nfs/dbraw/zinc/91/24/63/170912463.db2.gz HWHACKSROMJNLF-IUODEOHRSA-N 0 3 241.338 3.279 20 0 BGADHN COCc1ccc(CN2CC[C@@H](C)C[C@H]2C)o1 ZINC000092762245 384194520 /nfs/dbraw/zinc/19/45/20/384194520.db2.gz LHQCGGPYVBJTST-VXGBXAGGSA-N 0 3 237.343 3.046 20 0 BGADHN COCc1ccc(CN2CC[C@H](C)C[C@H]2C)o1 ZINC000092762247 384193041 /nfs/dbraw/zinc/19/30/41/384193041.db2.gz LHQCGGPYVBJTST-NWDGAFQWSA-N 0 3 237.343 3.046 20 0 BGADHN COc1ccsc1CN1CC[C@@H](C)C[C@H]1C ZINC000092762318 345642139 /nfs/dbraw/zinc/64/21/39/345642139.db2.gz WUASVVCRFWYROM-GHMZBOCLSA-N 0 3 239.384 3.377 20 0 BGADHN Cc1ncsc1CN1CC[C@H](C)C[C@@H]1C ZINC000092762591 180318872 /nfs/dbraw/zinc/31/88/72/180318872.db2.gz GGGOYOHILNODLE-UWVGGRQHSA-N 0 3 224.373 3.072 20 0 BGADHN Cc1ncsc1CN1CC[C@@H](C)C[C@@H]1C ZINC000092762593 180315873 /nfs/dbraw/zinc/31/58/73/180315873.db2.gz GGGOYOHILNODLE-ZJUUUORDSA-N 0 3 224.373 3.072 20 0 BGADHN C[C@@H]1CCN(Cc2cnn(C(C)(C)C)c2)[C@H](C)C1 ZINC000092762638 384648103 /nfs/dbraw/zinc/64/81/03/384648103.db2.gz PGOVHJMNWKDRFE-CHWSQXEVSA-N 0 3 249.402 3.259 20 0 BGADHN CSC(C)(C)CN[C@@H](C)c1ccc(F)cn1 ZINC000092766015 384193486 /nfs/dbraw/zinc/19/34/86/384193486.db2.gz MYQFCWNXXHMEJL-VIFPVBQESA-N 0 3 242.363 3.013 20 0 BGADHN CSC(C)(C)CN[C@H](C)c1ccc(F)cn1 ZINC000092766016 384192815 /nfs/dbraw/zinc/19/28/15/384192815.db2.gz MYQFCWNXXHMEJL-SECBINFHSA-N 0 3 242.363 3.013 20 0 BGADHN CCC1(CN[C@@H](C)c2ccc(F)cn2)CCC1 ZINC000092767054 360196296 /nfs/dbraw/zinc/19/62/96/360196296.db2.gz QZOOZNSTQWUEAY-NSHDSACASA-N 0 3 236.334 3.452 20 0 BGADHN CCC1(CN[C@H](C)c2ccc(F)cn2)CCC1 ZINC000092767055 360196644 /nfs/dbraw/zinc/19/66/44/360196644.db2.gz QZOOZNSTQWUEAY-LLVKDONJSA-N 0 3 236.334 3.452 20 0 BGADHN Cc1nn(C)cc1CN(C)CCC1CCCCC1 ZINC000092784456 360195744 /nfs/dbraw/zinc/19/57/44/360195744.db2.gz QUIKFTXTOLLPDO-UHFFFAOYSA-N 0 3 249.402 3.131 20 0 BGADHN Cc1n[nH]cc1CN(C)CCC1CCCCC1 ZINC000092784488 360195661 /nfs/dbraw/zinc/19/56/61/360195661.db2.gz NDPDEEGTOOYLJU-UHFFFAOYSA-N 0 3 235.375 3.120 20 0 BGADHN c1coc(CN2CCC[C@H](c3nccs3)C2)c1 ZINC000092788836 360198046 /nfs/dbraw/zinc/19/80/46/360198046.db2.gz CFUBRXDVHOJCDX-NSHDSACASA-N 0 3 248.351 3.116 20 0 BGADHN c1coc(CN2CCC[C@@H](c3nccs3)C2)c1 ZINC000092788837 360198272 /nfs/dbraw/zinc/19/82/72/360198272.db2.gz CFUBRXDVHOJCDX-LLVKDONJSA-N 0 3 248.351 3.116 20 0 BGADHN CCN(Cc1cnn(C)c1)C[C@@H]1CCC[C@H](C)C1 ZINC000092795551 360200053 /nfs/dbraw/zinc/20/00/53/360200053.db2.gz JPRYBVLRELIPBK-UONOGXRCSA-N 0 3 249.402 3.068 20 0 BGADHN CCN(Cc1cnn(C)c1)C[C@H]1CCC[C@H](C)C1 ZINC000092795552 360199884 /nfs/dbraw/zinc/19/98/84/360199884.db2.gz JPRYBVLRELIPBK-KBPBESRZSA-N 0 3 249.402 3.068 20 0 BGADHN Cc1noc(C)c1CNCC1C(C)(C)C1(C)C ZINC000092804210 360199632 /nfs/dbraw/zinc/19/96/32/360199632.db2.gz SWVUXPHSPJDFHH-UHFFFAOYSA-N 0 3 236.359 3.063 20 0 BGADHN C[C@@H]1CCC[C@H](CN(C)Cc2cccnc2)C1 ZINC000092807467 360201660 /nfs/dbraw/zinc/20/16/60/360201660.db2.gz HBLNIBZVWZNFSE-KGLIPLIRSA-N 0 3 232.371 3.340 20 0 BGADHN C[C@H]1CCC[C@H](CN(C)Cc2cccnc2)C1 ZINC000092807468 360201609 /nfs/dbraw/zinc/20/16/09/360201609.db2.gz HBLNIBZVWZNFSE-KBPBESRZSA-N 0 3 232.371 3.340 20 0 BGADHN C[C@@H]1CCC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000092807474 360201370 /nfs/dbraw/zinc/20/13/70/360201370.db2.gz HBLNIBZVWZNFSE-ZIAGYGMSSA-N 0 3 232.371 3.340 20 0 BGADHN C[C@H]1CCC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000092807475 360200928 /nfs/dbraw/zinc/20/09/28/360200928.db2.gz HBLNIBZVWZNFSE-UONOGXRCSA-N 0 3 232.371 3.340 20 0 BGADHN CC(C)(C)n1cc(CNC2C(C)(C)C2(C)C)cn1 ZINC000092815852 360200701 /nfs/dbraw/zinc/20/07/01/360200701.db2.gz LECCFJXIIAYTHU-UHFFFAOYSA-N 0 3 249.402 3.162 20 0 BGADHN CCN1CC=C(c2cccc(C)c2)CC1 ZINC000092821882 360202686 /nfs/dbraw/zinc/20/26/86/360202686.db2.gz YFKZEDUKUSJVGJ-UHFFFAOYSA-N 0 3 201.313 3.104 20 0 BGADHN COCCCN1CC=C(c2cccc(C)c2)CC1 ZINC000092822062 360202612 /nfs/dbraw/zinc/20/26/12/360202612.db2.gz UVGHWGVCVBIWEA-UHFFFAOYSA-N 0 3 245.366 3.121 20 0 BGADHN CCOCCN1CC=C(c2cccc(C)c2)CC1 ZINC000092822139 360202114 /nfs/dbraw/zinc/20/21/14/360202114.db2.gz SLIZSAIUQQDKQU-UHFFFAOYSA-N 0 3 245.366 3.121 20 0 BGADHN CC(=O)CCN1CC=C(c2cccc(C)c2)CC1 ZINC000092822183 188319468 /nfs/dbraw/zinc/31/94/68/188319468.db2.gz QBRNHMORSDMUAM-UHFFFAOYSA-N 0 3 243.350 3.063 20 0 BGADHN Cc1cccc(C2=CCN(CCCF)CC2)c1 ZINC000092822289 179051356 /nfs/dbraw/zinc/05/13/56/179051356.db2.gz SYIGTOPNHNABSJ-UHFFFAOYSA-N 0 3 233.330 3.444 20 0 BGADHN Cc1ccc(CNC2(C)Cc3ccccc3C2)o1 ZINC000092853669 360204048 /nfs/dbraw/zinc/20/40/48/360204048.db2.gz ZZJJTYVDADQYLK-UHFFFAOYSA-N 0 3 241.334 3.235 20 0 BGADHN Cc1ccoc1CNC1(C)Cc2ccccc2C1 ZINC000092853796 360204668 /nfs/dbraw/zinc/20/46/68/360204668.db2.gz CMWJGLGZPSDYRN-UHFFFAOYSA-N 0 3 241.334 3.235 20 0 BGADHN CN(C)CCSCc1cccc(F)c1Cl ZINC000092856547 345646298 /nfs/dbraw/zinc/64/62/98/345646298.db2.gz FOVXHKOXAHIQPD-UHFFFAOYSA-N 0 3 247.766 3.274 20 0 BGADHN Cc1ccc(CN(C)[C@@H]2CC[C@H](C)C2)o1 ZINC000092871039 345645957 /nfs/dbraw/zinc/64/59/57/345645957.db2.gz RBRXHPJSCIZUBU-CMPLNLGQSA-N 0 3 207.317 3.208 20 0 BGADHN Cc1ccc(CN(C)[C@H]2CC[C@H](C)C2)o1 ZINC000092871040 345646069 /nfs/dbraw/zinc/64/60/69/345646069.db2.gz RBRXHPJSCIZUBU-JQWIXIFHSA-N 0 3 207.317 3.208 20 0 BGADHN CCCC1CCC(N(C)Cc2cnn(C)c2)CC1 ZINC000092873505 360204727 /nfs/dbraw/zinc/20/47/27/360204727.db2.gz JBYYCNBSKIHLFO-UHFFFAOYSA-N 0 3 249.402 3.211 20 0 BGADHN CC(C)C1CCC(N(C)Cc2cnn(C)c2)CC1 ZINC000092873509 345646058 /nfs/dbraw/zinc/64/60/58/345646058.db2.gz VRQUXDLQBYQJAX-UHFFFAOYSA-N 0 3 249.402 3.067 20 0 BGADHN C[C@@H]1CC[C@H](N(C)Cc2ccc(Cl)nc2)C1 ZINC000092898056 345647629 /nfs/dbraw/zinc/64/76/29/345647629.db2.gz GNRXRAJBFWTASN-PWSUYJOCSA-N 0 3 238.762 3.355 20 0 BGADHN C[C@H]1CC[C@H](N(C)Cc2ccc(Cl)nc2)C1 ZINC000092898058 345647891 /nfs/dbraw/zinc/64/78/91/345647891.db2.gz GNRXRAJBFWTASN-JQWIXIFHSA-N 0 3 238.762 3.355 20 0 BGADHN C[C@@H]1CC[C@@H](N(C)Cc2ccc(Cl)nc2)C1 ZINC000092898060 345647554 /nfs/dbraw/zinc/64/75/54/345647554.db2.gz GNRXRAJBFWTASN-ZYHUDNBSSA-N 0 3 238.762 3.355 20 0 BGADHN C[C@H]1CC[C@@H](N(C)Cc2ccc(Cl)nc2)C1 ZINC000092898062 345647719 /nfs/dbraw/zinc/64/77/19/345647719.db2.gz GNRXRAJBFWTASN-CMPLNLGQSA-N 0 3 238.762 3.355 20 0 BGADHN C[C@@H]1CC[C@H](N(C)CCC(F)(F)F)C1 ZINC000092931413 344305755 /nfs/dbraw/zinc/30/57/55/344305755.db2.gz AMEWDFRSCRBYHM-BDAKNGLRSA-N 0 3 209.255 3.059 20 0 BGADHN C[C@H]1CC[C@H](N(C)CCC(F)(F)F)C1 ZINC000092931414 345648578 /nfs/dbraw/zinc/64/85/78/345648578.db2.gz AMEWDFRSCRBYHM-IUCAKERBSA-N 0 3 209.255 3.059 20 0 BGADHN C[C@@H]1CC[C@@H](N(C)CCC(F)(F)F)C1 ZINC000092931415 345648657 /nfs/dbraw/zinc/64/86/57/345648657.db2.gz AMEWDFRSCRBYHM-RKDXNWHRSA-N 0 3 209.255 3.059 20 0 BGADHN C[C@H]1CC[C@@H](N(C)CCC(F)(F)F)C1 ZINC000092931416 345648548 /nfs/dbraw/zinc/64/85/48/345648548.db2.gz AMEWDFRSCRBYHM-DTWKUNHWSA-N 0 3 209.255 3.059 20 0 BGADHN CC(C)C1CCC(N(C)Cc2cnccn2)CC1 ZINC000092932429 345648516 /nfs/dbraw/zinc/64/85/16/345648516.db2.gz WIZXBJXZBXBAOS-UHFFFAOYSA-N 0 3 247.386 3.123 20 0 BGADHN CCCC1CCC(N(C)Cc2cnccn2)CC1 ZINC000092932438 345826226 /nfs/dbraw/zinc/82/62/26/345826226.db2.gz RDJPZHNSUATUJQ-UHFFFAOYSA-N 0 3 247.386 3.267 20 0 BGADHN CCOCCN(C)c1cc(C)nc2ccccc21 ZINC000092963108 345649933 /nfs/dbraw/zinc/64/99/33/345649933.db2.gz HSMQVYPMGNUGPE-UHFFFAOYSA-N 0 3 244.338 3.016 20 0 BGADHN C1=C(CN2CCC3(CCCCC3)CC2)COCC1 ZINC000092969058 360207261 /nfs/dbraw/zinc/20/72/61/360207261.db2.gz NPIFWFJLTUCAQZ-UHFFFAOYSA-N 0 3 249.398 3.379 20 0 BGADHN Cc1n[nH]cc1CN1CCC2(CCCCC2)CC1 ZINC000092969079 360207962 /nfs/dbraw/zinc/20/79/62/360207962.db2.gz ILWKDJNAMVBLHB-UHFFFAOYSA-N 0 3 247.386 3.264 20 0 BGADHN C[C@@H](CN(C)Cc1cncs1)c1ccccc1 ZINC000093008862 344307142 /nfs/dbraw/zinc/30/71/42/344307142.db2.gz AGOWACJIBSXAQR-LBPRGKRZSA-N 0 3 246.379 3.379 20 0 BGADHN C[C@H](CN(C)Cc1cncs1)c1ccccc1 ZINC000093008864 345654481 /nfs/dbraw/zinc/65/44/81/345654481.db2.gz AGOWACJIBSXAQR-GFCCVEGCSA-N 0 3 246.379 3.379 20 0 BGADHN Cc1ccc(CN(C)Cc2ccn(C)c2)s1 ZINC000093049315 384206395 /nfs/dbraw/zinc/20/63/95/384206395.db2.gz DHQURGOIUJHSSS-UHFFFAOYSA-N 0 3 234.368 3.027 20 0 BGADHN CC(C)CCCNCc1nc2c(s1)CCC2 ZINC000093054550 643390276 /nfs/dbraw/zinc/39/02/76/643390276.db2.gz VDCPZVCRYVCBBN-UHFFFAOYSA-N 0 3 238.400 3.158 20 0 BGADHN CCCOc1ncccc1CNC[C@@H](C)CC ZINC000093065550 360213556 /nfs/dbraw/zinc/21/35/56/360213556.db2.gz BHPVMDROUCKRLF-LBPRGKRZSA-N 0 3 236.359 3.006 20 0 BGADHN CCCOc1ncccc1CNC[C@H](C)CC ZINC000093065551 360213420 /nfs/dbraw/zinc/21/34/20/360213420.db2.gz BHPVMDROUCKRLF-GFCCVEGCSA-N 0 3 236.359 3.006 20 0 BGADHN CC[C@@H](C)CNCc1cc(-c2ccccc2)on1 ZINC000093066746 388824940 /nfs/dbraw/zinc/82/49/40/388824940.db2.gz FPADLMSJGIXOCL-GFCCVEGCSA-N 0 3 244.338 3.477 20 0 BGADHN CC[C@H](C)CNCc1cc(-c2ccccc2)on1 ZINC000093066747 388824024 /nfs/dbraw/zinc/82/40/24/388824024.db2.gz FPADLMSJGIXOCL-LBPRGKRZSA-N 0 3 244.338 3.477 20 0 BGADHN CCCC(C)(C)NCc1nc2c(s1)CCC2 ZINC000093074879 538108384 /nfs/dbraw/zinc/10/83/84/538108384.db2.gz GEDSAIMTYPCNFO-UHFFFAOYSA-N 0 3 238.400 3.300 20 0 BGADHN CCc1nc([C@@H](C)NC[C@@H](C)CC)cs1 ZINC000093075021 172001557 /nfs/dbraw/zinc/00/15/57/172001557.db2.gz BOUVZSTYYDQSAW-VHSXEESVSA-N 0 3 226.389 3.402 20 0 BGADHN CCc1nc([C@H](C)NC[C@@H](C)CC)cs1 ZINC000093075022 172006576 /nfs/dbraw/zinc/00/65/76/172006576.db2.gz BOUVZSTYYDQSAW-UWVGGRQHSA-N 0 3 226.389 3.402 20 0 BGADHN CCc1nc([C@@H](C)NC[C@H](C)CC)cs1 ZINC000093075023 172001800 /nfs/dbraw/zinc/00/18/00/172001800.db2.gz BOUVZSTYYDQSAW-NXEZZACHSA-N 0 3 226.389 3.402 20 0 BGADHN CCc1nc([C@H](C)NC[C@H](C)CC)cs1 ZINC000093075024 172005861 /nfs/dbraw/zinc/00/58/61/172005861.db2.gz BOUVZSTYYDQSAW-ZJUUUORDSA-N 0 3 226.389 3.402 20 0 BGADHN CC[C@@H](C)CNCc1csc(C2CC2)n1 ZINC000093075055 384161409 /nfs/dbraw/zinc/16/14/09/384161409.db2.gz ILFJCWVMVBJIJM-SECBINFHSA-N 0 3 224.373 3.156 20 0 BGADHN CC[C@H](C)CNCc1csc(C2CC2)n1 ZINC000093075056 345656304 /nfs/dbraw/zinc/65/63/04/345656304.db2.gz ILFJCWVMVBJIJM-VIFPVBQESA-N 0 3 224.373 3.156 20 0 BGADHN C[C@@H](NCc1nc2c(s1)CCC2)C(C)(C)C ZINC000093075076 488119984 /nfs/dbraw/zinc/11/99/84/488119984.db2.gz OJMRJNAXGYGKTN-SECBINFHSA-N 0 3 238.400 3.156 20 0 BGADHN CCC(C)(CC)NCc1nc2c(s1)CCC2 ZINC000093075549 541346790 /nfs/dbraw/zinc/34/67/90/541346790.db2.gz AGDIMNGJNWIXLN-UHFFFAOYSA-N 0 3 238.400 3.300 20 0 BGADHN CC[C@@H](C)CNC1(c2ccccc2F)CC1 ZINC000093075954 323097382 /nfs/dbraw/zinc/09/73/82/323097382.db2.gz YOWVXXRYRYRZJI-LLVKDONJSA-N 0 3 221.319 3.451 20 0 BGADHN CC[C@H](C)CNC1(c2ccccc2F)CC1 ZINC000093075955 323097330 /nfs/dbraw/zinc/09/73/30/323097330.db2.gz YOWVXXRYRYRZJI-NSHDSACASA-N 0 3 221.319 3.451 20 0 BGADHN CCc1ccc([C@@H](COC)NC[C@@H](C)CC)o1 ZINC000093076795 360215238 /nfs/dbraw/zinc/21/52/38/360215238.db2.gz GFECPPLGJIOFRR-WCQYABFASA-N 0 3 239.359 3.165 20 0 BGADHN CCc1ccc([C@H](COC)NC[C@@H](C)CC)o1 ZINC000093076796 360215253 /nfs/dbraw/zinc/21/52/53/360215253.db2.gz GFECPPLGJIOFRR-AAEUAGOBSA-N 0 3 239.359 3.165 20 0 BGADHN CCc1ccc([C@@H](COC)NC[C@H](C)CC)o1 ZINC000093076797 360214913 /nfs/dbraw/zinc/21/49/13/360214913.db2.gz GFECPPLGJIOFRR-DGCLKSJQSA-N 0 3 239.359 3.165 20 0 BGADHN CCc1ccc([C@H](COC)NC[C@H](C)CC)o1 ZINC000093076798 360214989 /nfs/dbraw/zinc/21/49/89/360214989.db2.gz GFECPPLGJIOFRR-YPMHNXCESA-N 0 3 239.359 3.165 20 0 BGADHN CC[C@@H](C)CNCc1coc(-c2ccccc2)n1 ZINC000093076799 170708531 /nfs/dbraw/zinc/70/85/31/170708531.db2.gz UYCCDSIRDPSZJY-GFCCVEGCSA-N 0 3 244.338 3.477 20 0 BGADHN CC[C@H](C)CNCc1coc(-c2ccccc2)n1 ZINC000093076800 171285388 /nfs/dbraw/zinc/28/53/88/171285388.db2.gz UYCCDSIRDPSZJY-LBPRGKRZSA-N 0 3 244.338 3.477 20 0 BGADHN CCC1(NCc2nc3c(s2)CCC3)CCC1 ZINC000093078997 538108444 /nfs/dbraw/zinc/10/84/44/538108444.db2.gz CJPJDGZSFJMXIS-UHFFFAOYSA-N 0 3 236.384 3.054 20 0 BGADHN CC[C@@H](C)CN[C@@H](C)c1ncc(C)s1 ZINC000093079718 384161509 /nfs/dbraw/zinc/16/15/09/384161509.db2.gz UEFIXIOUIHMYLU-SCZZXKLOSA-N 0 3 212.362 3.148 20 0 BGADHN CC[C@H](C)CN[C@@H](C)c1ncc(C)s1 ZINC000093079720 171287245 /nfs/dbraw/zinc/28/72/45/171287245.db2.gz UEFIXIOUIHMYLU-WPRPVWTQSA-N 0 3 212.362 3.148 20 0 BGADHN CC[C@@H](C)CN[C@H](C)c1ncc(C)s1 ZINC000093079722 384162076 /nfs/dbraw/zinc/16/20/76/384162076.db2.gz UEFIXIOUIHMYLU-PSASIEDQSA-N 0 3 212.362 3.148 20 0 BGADHN CC[C@H](C)CN[C@H](C)c1ncc(C)s1 ZINC000093079725 171286962 /nfs/dbraw/zinc/28/69/62/171286962.db2.gz UEFIXIOUIHMYLU-WCBMZHEXSA-N 0 3 212.362 3.148 20 0 BGADHN CC[C@@H](C)CNC(C)(C)c1ncc(C)s1 ZINC000093080015 384161714 /nfs/dbraw/zinc/16/17/14/384161714.db2.gz FJNIPMJAFDHBOR-SECBINFHSA-N 0 3 226.389 3.322 20 0 BGADHN CC[C@H](C)CNC(C)(C)c1ncc(C)s1 ZINC000093080018 171283770 /nfs/dbraw/zinc/28/37/70/171283770.db2.gz FJNIPMJAFDHBOR-VIFPVBQESA-N 0 3 226.389 3.322 20 0 BGADHN CC[C@@H](C)CNCc1c(F)c(F)cc(F)c1F ZINC000093080356 537843720 /nfs/dbraw/zinc/84/37/20/537843720.db2.gz UQLWARONQBJMFE-SSDOTTSWSA-N 0 3 249.251 3.379 20 0 BGADHN CC[C@H](C)CNCc1c(F)c(F)cc(F)c1F ZINC000093080358 538108579 /nfs/dbraw/zinc/10/85/79/538108579.db2.gz UQLWARONQBJMFE-ZETCQYMHSA-N 0 3 249.251 3.379 20 0 BGADHN c1coc(CN2CCCc3ccccc3C2)c1 ZINC000093085043 360214900 /nfs/dbraw/zinc/21/49/00/360214900.db2.gz KTJXCOJXBLNPEX-UHFFFAOYSA-N 0 3 227.307 3.228 20 0 BGADHN c1cc(CN2CCCc3ccccc3C2)co1 ZINC000093085180 644677507 /nfs/dbraw/zinc/67/75/07/644677507.db2.gz NCUYFRGPOOKDBE-UHFFFAOYSA-N 0 3 227.307 3.228 20 0 BGADHN c1coc(CN2CCC3(CCCC3)CC2)c1 ZINC000093085289 360215004 /nfs/dbraw/zinc/21/50/04/360215004.db2.gz QOIAUPYMMZSDJM-UHFFFAOYSA-N 0 3 219.328 3.436 20 0 BGADHN c1ncc(CN2CCC3(CCCC3)CC2)s1 ZINC000093085307 388826329 /nfs/dbraw/zinc/82/63/29/388826329.db2.gz HGWYBVPXIIFGOH-UHFFFAOYSA-N 0 3 236.384 3.299 20 0 BGADHN CCn1cc(CN2CCC3(CCCC3)CC2)cn1 ZINC000093085309 360214931 /nfs/dbraw/zinc/21/49/31/360214931.db2.gz FBNWUMOJZMHJPM-UHFFFAOYSA-N 0 3 247.386 3.059 20 0 BGADHN Cn1ccc(CN2CCC3(CCCC3)CC2)c1 ZINC000093085341 360215328 /nfs/dbraw/zinc/21/53/28/360215328.db2.gz NVYWQXHIAHEMGJ-UHFFFAOYSA-N 0 3 232.371 3.181 20 0 BGADHN Cn1cccc1CN1CCC2(CCCC2)CC1 ZINC000093085428 360216205 /nfs/dbraw/zinc/21/62/05/360216205.db2.gz YELYLYUUUJBIJB-UHFFFAOYSA-N 0 3 232.371 3.181 20 0 BGADHN Cc1ccc([C@@H]2CCCN2Cc2cnc[nH]2)s1 ZINC000093102725 360218202 /nfs/dbraw/zinc/21/82/02/360218202.db2.gz JKDRAIYEWCFDMT-LBPRGKRZSA-N 0 3 247.367 3.117 20 0 BGADHN Cc1ccc([C@H]2CCCN2Cc2cnc[nH]2)s1 ZINC000093102726 345657133 /nfs/dbraw/zinc/65/71/33/345657133.db2.gz JKDRAIYEWCFDMT-GFCCVEGCSA-N 0 3 247.367 3.117 20 0 BGADHN Cc1ncsc1CN1[C@H](C)CCC[C@@H]1C ZINC000093102944 180318935 /nfs/dbraw/zinc/31/89/35/180318935.db2.gz GSGQSGVNHMIXCL-AOOOYVTPSA-N 0 3 224.373 3.214 20 0 BGADHN C[C@@H]1CCC[C@H](C)N1Cc1cnn(C(C)(C)C)c1 ZINC000093102957 538108346 /nfs/dbraw/zinc/10/83/46/538108346.db2.gz BDWZHWOZCHIAGE-BETUJISGSA-N 0 3 249.402 3.401 20 0 BGADHN CC[C@@H](C)CN[C@@H]1COc2ccc(C)cc21 ZINC000093107170 388826658 /nfs/dbraw/zinc/82/66/58/388826658.db2.gz IDODKTQVZSECSW-ZWNOBZJWSA-N 0 3 219.328 3.064 20 0 BGADHN CC[C@H](C)CN[C@@H]1COc2ccc(C)cc21 ZINC000093107172 388826211 /nfs/dbraw/zinc/82/62/11/388826211.db2.gz IDODKTQVZSECSW-GXFFZTMASA-N 0 3 219.328 3.064 20 0 BGADHN CC[C@@H](C)CN[C@H]1COc2ccc(C)cc21 ZINC000093107175 388825589 /nfs/dbraw/zinc/82/55/89/388825589.db2.gz IDODKTQVZSECSW-MFKMUULPSA-N 0 3 219.328 3.064 20 0 BGADHN CC[C@H](C)CN[C@H]1COc2ccc(C)cc21 ZINC000093107177 344308982 /nfs/dbraw/zinc/30/89/82/344308982.db2.gz IDODKTQVZSECSW-GWCFXTLKSA-N 0 3 219.328 3.064 20 0 BGADHN CC[C@@H](C)CNCc1nc(C(C)C)cs1 ZINC000093107269 384161915 /nfs/dbraw/zinc/16/19/15/384161915.db2.gz NJJMDOMLRQSXPM-SNVBAGLBSA-N 0 3 226.389 3.402 20 0 BGADHN CC[C@H](C)CNCc1nc(C(C)C)cs1 ZINC000093107270 171285582 /nfs/dbraw/zinc/28/55/82/171285582.db2.gz NJJMDOMLRQSXPM-JTQLQIEISA-N 0 3 226.389 3.402 20 0 BGADHN CC[C@@H](C)CNCc1nc(C2CC2)cs1 ZINC000093107336 170707833 /nfs/dbraw/zinc/70/78/33/170707833.db2.gz UDGCLNCZKIDGQW-SECBINFHSA-N 0 3 224.373 3.156 20 0 BGADHN CC[C@H](C)CNCc1nc(C2CC2)cs1 ZINC000093107339 171285934 /nfs/dbraw/zinc/28/59/34/171285934.db2.gz UDGCLNCZKIDGQW-VIFPVBQESA-N 0 3 224.373 3.156 20 0 BGADHN C1=C(CCNCc2nc3c(s2)CCC3)CCC1 ZINC000093110089 538108489 /nfs/dbraw/zinc/10/84/89/538108489.db2.gz ZMVCKTLKRDUIIK-UHFFFAOYSA-N 0 3 248.395 3.222 20 0 BGADHN CC[C@@H](C)CNCc1nc2c(cccc2C)[nH]1 ZINC000093111888 345657115 /nfs/dbraw/zinc/65/71/15/345657115.db2.gz IGYHAFURXZIKNN-SNVBAGLBSA-N 0 3 231.343 3.007 20 0 BGADHN CC[C@H](C)CNCc1nc2c(cccc2C)[nH]1 ZINC000093111889 345656574 /nfs/dbraw/zinc/65/65/74/345656574.db2.gz IGYHAFURXZIKNN-JTQLQIEISA-N 0 3 231.343 3.007 20 0 BGADHN CCCN(Cc1ccoc1)C[C@@H]1CCCCO1 ZINC000093132480 644680364 /nfs/dbraw/zinc/68/03/64/644680364.db2.gz YESPPOXHZFUYSX-AWEZNQCLSA-N 0 3 237.343 3.061 20 0 BGADHN CCCN(Cc1ccoc1)C[C@H]1CCCCO1 ZINC000093132481 644679277 /nfs/dbraw/zinc/67/92/77/644679277.db2.gz YESPPOXHZFUYSX-CQSZACIVSA-N 0 3 237.343 3.061 20 0 BGADHN C[C@@H]1c2ccccc2CCN1Cc1ccn(C)c1 ZINC000093149419 387217877 /nfs/dbraw/zinc/21/78/77/387217877.db2.gz PDRJSSVMUMTKQL-CYBMUJFWSA-N 0 3 240.350 3.144 20 0 BGADHN C[C@H]1c2ccccc2CCN1Cc1ccn(C)c1 ZINC000093149422 387217986 /nfs/dbraw/zinc/21/79/86/387217986.db2.gz PDRJSSVMUMTKQL-ZDUSSCGKSA-N 0 3 240.350 3.144 20 0 BGADHN C[C@@H]1c2ccccc2CCN1Cc1cccn1C ZINC000093149704 387217501 /nfs/dbraw/zinc/21/75/01/387217501.db2.gz LKFIPXIXFRLMMJ-CYBMUJFWSA-N 0 3 240.350 3.144 20 0 BGADHN C[C@H]1c2ccccc2CCN1Cc1cccn1C ZINC000093149706 387218183 /nfs/dbraw/zinc/21/81/83/387218183.db2.gz LKFIPXIXFRLMMJ-ZDUSSCGKSA-N 0 3 240.350 3.144 20 0 BGADHN CCN(Cc1ccccc1)Cc1ncccc1C ZINC000093157808 344309832 /nfs/dbraw/zinc/30/98/32/344309832.db2.gz BUABVNDUPWPWHX-UHFFFAOYSA-N 0 3 240.350 3.412 20 0 BGADHN CCCCN(CC)Cc1ncccc1C ZINC000093157910 384215501 /nfs/dbraw/zinc/21/55/01/384215501.db2.gz NTKURDHXLZUCOF-UHFFFAOYSA-N 0 3 206.333 3.012 20 0 BGADHN Cc1cccnc1CN(CC(C)C)C1CC1 ZINC000093158895 179372118 /nfs/dbraw/zinc/37/21/18/179372118.db2.gz AWBIQWIZMBOGQI-UHFFFAOYSA-N 0 3 218.344 3.010 20 0 BGADHN Cc1cccnc1CN(CCC(C)C)C1CC1 ZINC000093159185 538108433 /nfs/dbraw/zinc/10/84/33/538108433.db2.gz UUGGZFBZSRYRBS-UHFFFAOYSA-N 0 3 232.371 3.401 20 0 BGADHN Cc1cccnc1CN(C)CCc1ccccc1 ZINC000093159384 179370802 /nfs/dbraw/zinc/37/08/02/179370802.db2.gz RAPVHKUXQYGCJP-UHFFFAOYSA-N 0 3 240.350 3.065 20 0 BGADHN Cc1cccnc1CN(C)CC1CCCC1 ZINC000093168815 179369979 /nfs/dbraw/zinc/36/99/79/179369979.db2.gz UQAGVVFRXGOSHF-UHFFFAOYSA-N 0 3 218.344 3.012 20 0 BGADHN Cc1cccnc1CN1CCC(C(C)C)CC1 ZINC000093176571 388827423 /nfs/dbraw/zinc/82/74/23/388827423.db2.gz VUINVNAHMAMQGG-UHFFFAOYSA-N 0 3 232.371 3.258 20 0 BGADHN Cc1cccnc1CN(C)CCc1cccs1 ZINC000093177104 179370394 /nfs/dbraw/zinc/37/03/94/179370394.db2.gz SDJZCXSGKYQZDX-UHFFFAOYSA-N 0 3 246.379 3.126 20 0 BGADHN CC[C@]1(C)CCCN(Cc2ncccc2C)C1 ZINC000093177314 387217053 /nfs/dbraw/zinc/21/70/53/387217053.db2.gz BMKDDJOYQUYEDB-OAHLLOKOSA-N 0 3 232.371 3.402 20 0 BGADHN CC[C@@]1(C)CCCN(Cc2ncccc2C)C1 ZINC000093177317 171198753 /nfs/dbraw/zinc/19/87/53/171198753.db2.gz BMKDDJOYQUYEDB-HNNXBMFYSA-N 0 3 232.371 3.402 20 0 BGADHN Cc1cccnc1CN(C)[C@@H](C)C1(C)CC1 ZINC000093188645 179373881 /nfs/dbraw/zinc/37/38/81/179373881.db2.gz SVGOQPHFFOWRIJ-LBPRGKRZSA-N 0 3 218.344 3.010 20 0 BGADHN Cc1cccnc1CN(C)[C@H](C)C1(C)CC1 ZINC000093188648 179373086 /nfs/dbraw/zinc/37/30/86/179373086.db2.gz SVGOQPHFFOWRIJ-GFCCVEGCSA-N 0 3 218.344 3.010 20 0 BGADHN c1csc(C2(NC3CCCC3)CCCC2)n1 ZINC000093194144 325734098 /nfs/dbraw/zinc/73/40/98/325734098.db2.gz VYVKAZGAIGNUNT-UHFFFAOYSA-N 0 3 236.384 3.445 20 0 BGADHN c1cc(CN(C2CC2)[C@H]2C=CCCC2)ccn1 ZINC000093222164 398310085 /nfs/dbraw/zinc/31/00/85/398310085.db2.gz DUWCISCUXXLHHC-AWEZNQCLSA-N 0 3 228.339 3.155 20 0 BGADHN c1cc(CN(C2CC2)[C@@H]2C=CCCC2)ccn1 ZINC000093222165 191036236 /nfs/dbraw/zinc/03/62/36/191036236.db2.gz DUWCISCUXXLHHC-CQSZACIVSA-N 0 3 228.339 3.155 20 0 BGADHN CC(C)=CCN(Cc1cccnc1)C(C)C ZINC000093224383 345659264 /nfs/dbraw/zinc/65/92/64/345659264.db2.gz JOSJZNIZANQEFV-UHFFFAOYSA-N 0 3 218.344 3.258 20 0 BGADHN CC(C)N(Cc1cccnc1)[C@H]1C=CCCC1 ZINC000093225512 345658937 /nfs/dbraw/zinc/65/89/37/345658937.db2.gz LVUVACHXKDIFES-HNNXBMFYSA-N 0 3 230.355 3.401 20 0 BGADHN CC(C)N(Cc1cccnc1)[C@@H]1C=CCCC1 ZINC000093225513 345658729 /nfs/dbraw/zinc/65/87/29/345658729.db2.gz LVUVACHXKDIFES-OAHLLOKOSA-N 0 3 230.355 3.401 20 0 BGADHN CCCCCN(C)[C@@H](C)c1cccnc1 ZINC000093233915 360222828 /nfs/dbraw/zinc/22/28/28/360222828.db2.gz LYAUGIPZCGEVTE-LBPRGKRZSA-N 0 3 206.333 3.265 20 0 BGADHN CCCCCN(C)[C@H](C)c1cccnc1 ZINC000093233919 360222695 /nfs/dbraw/zinc/22/26/95/360222695.db2.gz LYAUGIPZCGEVTE-GFCCVEGCSA-N 0 3 206.333 3.265 20 0 BGADHN C[C@@H](c1cccnc1)N(C)[C@H]1C=CCCC1 ZINC000093235379 176029388 /nfs/dbraw/zinc/02/93/88/176029388.db2.gz MRXPMRZCJLFLGF-JSGCOSHPSA-N 0 3 216.328 3.183 20 0 BGADHN C[C@H](c1cccnc1)N(C)[C@H]1C=CCCC1 ZINC000093235381 177044715 /nfs/dbraw/zinc/04/47/15/177044715.db2.gz MRXPMRZCJLFLGF-OCCSQVGLSA-N 0 3 216.328 3.183 20 0 BGADHN CC[C@@H](C)CN(CC)[C@@H](C)C(=O)OC(C)(C)C ZINC000093251458 323169442 /nfs/dbraw/zinc/16/94/42/323169442.db2.gz XPRFJFBBMNFHFD-NEPJUHHUSA-N 0 3 243.391 3.085 20 0 BGADHN CC[C@H](C)CN(CC)[C@@H](C)C(=O)OC(C)(C)C ZINC000093251459 385976515 /nfs/dbraw/zinc/97/65/15/385976515.db2.gz XPRFJFBBMNFHFD-RYUDHWBXSA-N 0 3 243.391 3.085 20 0 BGADHN Fc1ccc2c(c1)CCN(C1CCCC1)C2 ZINC000093257027 388830792 /nfs/dbraw/zinc/83/07/92/388830792.db2.gz VECNVYQMYOCEIR-UHFFFAOYSA-N 0 3 219.303 3.126 20 0 BGADHN CCc1ncc(CN(C)C(C)(C)CC)s1 ZINC000093279264 345660397 /nfs/dbraw/zinc/66/03/97/345660397.db2.gz KGSVWQIJPYFNDD-UHFFFAOYSA-N 0 3 226.389 3.326 20 0 BGADHN CCC(C)(C)N(C)Cc1ccc(COC)o1 ZINC000093279286 345660553 /nfs/dbraw/zinc/66/05/53/345660553.db2.gz GSDUTBCMZBHMQY-UHFFFAOYSA-N 0 3 225.332 3.046 20 0 BGADHN CCC(C)(C)N(C)Cc1sccc1OC ZINC000093279337 345659971 /nfs/dbraw/zinc/65/99/71/345659971.db2.gz MPHWXZJOPLJUNH-UHFFFAOYSA-N 0 3 227.373 3.377 20 0 BGADHN CCC(C)(C)N(C)Cc1cccc2c1OCO2 ZINC000093279362 345660469 /nfs/dbraw/zinc/66/04/69/345660469.db2.gz UOWXZIAULUCTAG-UHFFFAOYSA-N 0 3 235.327 3.036 20 0 BGADHN CCC(C)(C)N(C)Cc1cnc2cc(C)ccn12 ZINC000093279413 345660092 /nfs/dbraw/zinc/66/00/92/345660092.db2.gz LFIZLQPBNGFVQJ-UHFFFAOYSA-N 0 3 245.370 3.263 20 0 BGADHN CCC(C)(C)N(C)Cc1cnc2c(C)cccn12 ZINC000093279494 345660569 /nfs/dbraw/zinc/66/05/69/345660569.db2.gz IYEIEXZBEIQRBD-UHFFFAOYSA-N 0 3 245.370 3.263 20 0 BGADHN CCC(C)(C)N(C)Cc1scnc1C ZINC000093279604 345660518 /nfs/dbraw/zinc/66/05/18/345660518.db2.gz VXZMMSFUENMHPH-UHFFFAOYSA-N 0 3 212.362 3.072 20 0 BGADHN CCC(C)(C)N(C)Cc1cnn(C(C)(C)C)c1 ZINC000093279649 345660003 /nfs/dbraw/zinc/66/00/03/345660003.db2.gz QDOMLPGNNJMVGK-UHFFFAOYSA-N 0 3 237.391 3.259 20 0 BGADHN CCC(C)(C)N(C)Cc1cnc2ccc(C)cn12 ZINC000093279682 345660075 /nfs/dbraw/zinc/66/00/75/345660075.db2.gz IOBXYYMQYSUJLX-UHFFFAOYSA-N 0 3 245.370 3.263 20 0 BGADHN Cc1cc(NCc2ccon2)c2ccccc2n1 ZINC000093297740 178174400 /nfs/dbraw/zinc/17/44/00/178174400.db2.gz IJBWVMDSYOTVTG-UHFFFAOYSA-N 0 3 239.278 3.143 20 0 BGADHN CC(C)=CCN(Cc1ccccc1)[C@@H](C)CCO ZINC000093303892 360228079 /nfs/dbraw/zinc/22/80/79/360228079.db2.gz KELWMATXLBHQNZ-HNNXBMFYSA-N 0 3 247.382 3.226 20 0 BGADHN CC(C)=CCN(Cc1ccccc1)[C@H](C)CCO ZINC000093303893 360227244 /nfs/dbraw/zinc/22/72/44/360227244.db2.gz KELWMATXLBHQNZ-OAHLLOKOSA-N 0 3 247.382 3.226 20 0 BGADHN CC(C)(C)C1CCC(NCc2ccon2)CC1 ZINC000093305891 644687051 /nfs/dbraw/zinc/68/70/51/644687051.db2.gz CMUFWFSOFFTXKN-UHFFFAOYSA-N 0 3 236.359 3.369 20 0 BGADHN CCOCCN(C)[C@@H](C)c1cccc(C)c1 ZINC000093312614 170391276 /nfs/dbraw/zinc/39/12/76/170391276.db2.gz DBFOVHMBWLFMAT-ZDUSSCGKSA-N 0 3 221.344 3.024 20 0 BGADHN CCOCCN(C)[C@H](C)c1cccc(C)c1 ZINC000093312615 170391116 /nfs/dbraw/zinc/39/11/16/170391116.db2.gz DBFOVHMBWLFMAT-CYBMUJFWSA-N 0 3 221.344 3.024 20 0 BGADHN CCCO[C@@H]1CCCN(Cc2ccco2)CC1 ZINC000093316633 169312503 /nfs/dbraw/zinc/31/25/03/169312503.db2.gz DBEHLWKNNALILI-CYBMUJFWSA-N 0 3 237.343 3.061 20 0 BGADHN CCCO[C@H]1CCCN(Cc2ccco2)CC1 ZINC000093316636 169312820 /nfs/dbraw/zinc/31/28/20/169312820.db2.gz DBEHLWKNNALILI-ZDUSSCGKSA-N 0 3 237.343 3.061 20 0 BGADHN CCCCN(CCOC)Cc1ccc(Cl)o1 ZINC000093322958 345651993 /nfs/dbraw/zinc/65/19/93/345651993.db2.gz NPJPBRYNYFOPJA-UHFFFAOYSA-N 0 3 245.750 3.182 20 0 BGADHN CCCCN(CCOC)Cc1ccc(C)s1 ZINC000093323001 360230675 /nfs/dbraw/zinc/23/06/75/360230675.db2.gz YJHLISKTJWHGMN-UHFFFAOYSA-N 0 3 241.400 3.305 20 0 BGADHN CCCCN(CCOC)Cc1cc(C)oc1C ZINC000093323057 634516592 /nfs/dbraw/zinc/51/65/92/634516592.db2.gz VDVWBTCRMUOHFG-UHFFFAOYSA-N 0 3 239.359 3.145 20 0 BGADHN CCc1ncc(CN(C)[C@@H]2CC[C@H](C)C2)s1 ZINC000093324242 344314204 /nfs/dbraw/zinc/31/42/04/344314204.db2.gz XQIUOVUKVKONPX-WDEREUQCSA-N 0 3 238.400 3.326 20 0 BGADHN CCc1ncc(CN(C)[C@H]2CC[C@H](C)C2)s1 ZINC000093324243 345652943 /nfs/dbraw/zinc/65/29/43/345652943.db2.gz XQIUOVUKVKONPX-QWRGUYRKSA-N 0 3 238.400 3.326 20 0 BGADHN C[C@@H](Cc1ccc(O)cc1)N(C)Cc1ccco1 ZINC000093324546 360231298 /nfs/dbraw/zinc/23/12/98/360231298.db2.gz NJHRMBYESPJBMZ-LBPRGKRZSA-N 0 3 245.322 3.048 20 0 BGADHN C[C@H](Cc1ccc(O)cc1)N(C)Cc1ccco1 ZINC000093324547 360231405 /nfs/dbraw/zinc/23/14/05/360231405.db2.gz NJHRMBYESPJBMZ-GFCCVEGCSA-N 0 3 245.322 3.048 20 0 BGADHN Fc1ccc([C@H]2CCN(Cc3ccco3)C2)cc1 ZINC000093335531 344314216 /nfs/dbraw/zinc/31/42/16/344314216.db2.gz GJUMHSPVXPMYTH-ZDUSSCGKSA-N 0 3 245.297 3.408 20 0 BGADHN Fc1ccc([C@@H]2CCN(Cc3ccco3)C2)cc1 ZINC000093335532 345653852 /nfs/dbraw/zinc/65/38/52/345653852.db2.gz GJUMHSPVXPMYTH-CYBMUJFWSA-N 0 3 245.297 3.408 20 0 BGADHN c1coc(CN2CCC3(CCCC3)C2)c1 ZINC000093336545 345969963 /nfs/dbraw/zinc/96/99/63/345969963.db2.gz WHFZKFCHFNLMAA-UHFFFAOYSA-N 0 3 205.301 3.046 20 0 BGADHN CC(C)C[C@@H]1CCN(Cc2ccco2)C1 ZINC000093338449 360234289 /nfs/dbraw/zinc/23/42/89/360234289.db2.gz UCCAPBWZHMPFOR-LBPRGKRZSA-N 0 3 207.317 3.148 20 0 BGADHN CC(C)C[C@H]1CCN(Cc2ccco2)C1 ZINC000093338450 360233705 /nfs/dbraw/zinc/23/37/05/360233705.db2.gz UCCAPBWZHMPFOR-GFCCVEGCSA-N 0 3 207.317 3.148 20 0 BGADHN CC(C)C[C@@H]1CCN(Cc2cncs2)C1 ZINC000093338457 191038378 /nfs/dbraw/zinc/03/83/78/191038378.db2.gz UKJIVRXEVUKNGM-NSHDSACASA-N 0 3 224.373 3.011 20 0 BGADHN CC(C)C[C@H]1CCN(Cc2cncs2)C1 ZINC000093338458 188145338 /nfs/dbraw/zinc/14/53/38/188145338.db2.gz UKJIVRXEVUKNGM-LLVKDONJSA-N 0 3 224.373 3.011 20 0 BGADHN C[C@@H]1CC[C@H](N(C)Cc2nc3ccccc3o2)C1 ZINC000093339000 344315029 /nfs/dbraw/zinc/31/50/29/344315029.db2.gz LIXDYNTUOWWIRB-NEPJUHHUSA-N 0 3 244.338 3.448 20 0 BGADHN C[C@H]1CC[C@H](N(C)Cc2nc3ccccc3o2)C1 ZINC000093339001 345653992 /nfs/dbraw/zinc/65/39/92/345653992.db2.gz LIXDYNTUOWWIRB-RYUDHWBXSA-N 0 3 244.338 3.448 20 0 BGADHN C[C@@H]1CC[C@@H](N(C)Cc2nc3ccccc3o2)C1 ZINC000093339002 345653312 /nfs/dbraw/zinc/65/33/12/345653312.db2.gz LIXDYNTUOWWIRB-VXGBXAGGSA-N 0 3 244.338 3.448 20 0 BGADHN C[C@H]1CC[C@@H](N(C)Cc2nc3ccccc3o2)C1 ZINC000093339003 345653350 /nfs/dbraw/zinc/65/33/50/345653350.db2.gz LIXDYNTUOWWIRB-NWDGAFQWSA-N 0 3 244.338 3.448 20 0 BGADHN CCCn1nc(C)c(CN2CCC(C)(C)C2)c1C ZINC000093339792 360234712 /nfs/dbraw/zinc/23/47/12/360234712.db2.gz QMKSDRNVNOVGEG-UHFFFAOYSA-N 0 3 249.402 3.142 20 0 BGADHN CC(C)c1ncc(CN2CCC(C)(C)C2)s1 ZINC000093339798 360233870 /nfs/dbraw/zinc/23/38/70/360233870.db2.gz QDPGPTAAFLUETP-UHFFFAOYSA-N 0 3 238.400 3.498 20 0 BGADHN CCc1ccc(CN2CCC(C)(C)C2)o1 ZINC000093339861 360234110 /nfs/dbraw/zinc/23/41/10/360234110.db2.gz FTSNVXWWMBPRIE-UHFFFAOYSA-N 0 3 207.317 3.074 20 0 BGADHN CC1(C)CCN(CC2=Cc3ccccc3OC2)C1 ZINC000093339875 344314721 /nfs/dbraw/zinc/31/47/21/344314721.db2.gz HAIHSQIUBHMMAF-UHFFFAOYSA-N 0 3 243.350 3.194 20 0 BGADHN CC1(C)CCN(Cc2cnc(C3CC3)s2)C1 ZINC000093339949 397974770 /nfs/dbraw/zinc/97/47/70/397974770.db2.gz GMVOIDBVBYQYLS-UHFFFAOYSA-N 0 3 236.384 3.252 20 0 BGADHN CC(C)c1ccc(CN2CC[C@@H](C)[C@@H](O)C2)cc1 ZINC000093342558 360234684 /nfs/dbraw/zinc/23/46/84/360234684.db2.gz IRJXHVMNLJWGCC-CJNGLKHVSA-N 0 3 247.382 3.013 20 0 BGADHN CC(C)c1ccc(CN2CC[C@H](C)[C@@H](O)C2)cc1 ZINC000093342559 360234564 /nfs/dbraw/zinc/23/45/64/360234564.db2.gz IRJXHVMNLJWGCC-BBRMVZONSA-N 0 3 247.382 3.013 20 0 BGADHN CC(C)[C@@H](c1ccccc1)N(C)Cc1cnc[nH]1 ZINC000093361642 384232466 /nfs/dbraw/zinc/23/24/66/384232466.db2.gz FOJLLMNQHBDLPY-HNNXBMFYSA-N 0 3 243.354 3.239 20 0 BGADHN CC(C)[C@@H](c1ccccc1)N(C)Cc1c[nH]cn1 ZINC000093361642 384232465 /nfs/dbraw/zinc/23/24/65/384232465.db2.gz FOJLLMNQHBDLPY-HNNXBMFYSA-N 0 3 243.354 3.239 20 0 BGADHN CC(C)[C@H](c1ccccc1)N(C)Cc1cnc[nH]1 ZINC000093361643 188319493 /nfs/dbraw/zinc/31/94/93/188319493.db2.gz FOJLLMNQHBDLPY-OAHLLOKOSA-N 0 3 243.354 3.239 20 0 BGADHN CC(C)[C@H](c1ccccc1)N(C)Cc1c[nH]cn1 ZINC000093361643 188319491 /nfs/dbraw/zinc/31/94/91/188319491.db2.gz FOJLLMNQHBDLPY-OAHLLOKOSA-N 0 3 243.354 3.239 20 0 BGADHN CCS[C@@H]1CCCCN(Cc2ccco2)C1 ZINC000093361711 360236796 /nfs/dbraw/zinc/23/67/96/360236796.db2.gz BVQHEQSLFYJFEQ-CYBMUJFWSA-N 0 3 239.384 3.387 20 0 BGADHN CCS[C@H]1CCCCN(Cc2ccco2)C1 ZINC000093361712 360236810 /nfs/dbraw/zinc/23/68/10/360236810.db2.gz BVQHEQSLFYJFEQ-ZDUSSCGKSA-N 0 3 239.384 3.387 20 0 BGADHN CCCCOCCCN[C@@H](C)c1nccs1 ZINC000093368304 384232449 /nfs/dbraw/zinc/23/24/49/384232449.db2.gz NPIUFQKYFMKVCQ-NSHDSACASA-N 0 3 242.388 3.001 20 0 BGADHN CCCCOCCCN[C@H](C)c1nccs1 ZINC000093368305 168895518 /nfs/dbraw/zinc/89/55/18/168895518.db2.gz NPIUFQKYFMKVCQ-LLVKDONJSA-N 0 3 242.388 3.001 20 0 BGADHN CCCCN[C@@H](C)c1nc2c(s1)CCCC2 ZINC000093368518 323184309 /nfs/dbraw/zinc/18/43/09/323184309.db2.gz AZQBZNSWIQCKLK-JTQLQIEISA-N 0 3 238.400 3.473 20 0 BGADHN CCCCN[C@H](C)c1nc2c(s1)CCCC2 ZINC000093368519 323184305 /nfs/dbraw/zinc/18/43/05/323184305.db2.gz AZQBZNSWIQCKLK-SNVBAGLBSA-N 0 3 238.400 3.473 20 0 BGADHN CC[C@@H](C)N[C@@H](C)c1nc2c(s1)CCCC2 ZINC000093368796 323184316 /nfs/dbraw/zinc/18/43/16/323184316.db2.gz GEIRLYJZDSORJB-ZJUUUORDSA-N 0 3 238.400 3.471 20 0 BGADHN CC[C@H](C)N[C@@H](C)c1nc2c(s1)CCCC2 ZINC000093368797 323184311 /nfs/dbraw/zinc/18/43/11/323184311.db2.gz GEIRLYJZDSORJB-UWVGGRQHSA-N 0 3 238.400 3.471 20 0 BGADHN CC[C@@H](C)N[C@H](C)c1nc2c(s1)CCCC2 ZINC000093368798 323184307 /nfs/dbraw/zinc/18/43/07/323184307.db2.gz GEIRLYJZDSORJB-NXEZZACHSA-N 0 3 238.400 3.471 20 0 BGADHN CC[C@H](C)N[C@H](C)c1nc2c(s1)CCCC2 ZINC000093368799 323184313 /nfs/dbraw/zinc/18/43/13/323184313.db2.gz GEIRLYJZDSORJB-VHSXEESVSA-N 0 3 238.400 3.471 20 0 BGADHN CN(Cc1ccco1)[C@@H]1CCc2ccccc2C1 ZINC000093438635 360242753 /nfs/dbraw/zinc/24/27/53/360242753.db2.gz RGAVQUYHCZJBRN-OAHLLOKOSA-N 0 3 241.334 3.269 20 0 BGADHN CN(Cc1ccco1)[C@H]1CCc2ccccc2C1 ZINC000093438636 360242557 /nfs/dbraw/zinc/24/25/57/360242557.db2.gz RGAVQUYHCZJBRN-HNNXBMFYSA-N 0 3 241.334 3.269 20 0 BGADHN CCn1cc(CN(C)C2CCC(C)(C)CC2)cn1 ZINC000093438831 360243425 /nfs/dbraw/zinc/24/34/25/360243425.db2.gz HJCGNENKCGMAJC-UHFFFAOYSA-N 0 3 249.402 3.304 20 0 BGADHN CCn1cc(CN(C)CC2CCC(C)CC2)cn1 ZINC000093438838 345670584 /nfs/dbraw/zinc/67/05/84/345670584.db2.gz PXUKDGYMKGEXBT-UHFFFAOYSA-N 0 3 249.402 3.161 20 0 BGADHN CC(C)(C)[C@@H]1CCCN(Cc2cnc[nH]2)CC1 ZINC000093439006 360242704 /nfs/dbraw/zinc/24/27/04/360242704.db2.gz MODOBSMJFVUCRV-GFCCVEGCSA-N 0 3 235.375 3.058 20 0 BGADHN CC(C)(C)[C@@H]1CCCN(Cc2c[nH]cn2)CC1 ZINC000093439006 360242701 /nfs/dbraw/zinc/24/27/01/360242701.db2.gz MODOBSMJFVUCRV-GFCCVEGCSA-N 0 3 235.375 3.058 20 0 BGADHN CC(C)(C)[C@H]1CCCN(Cc2cnc[nH]2)CC1 ZINC000093439007 360243531 /nfs/dbraw/zinc/24/35/31/360243531.db2.gz MODOBSMJFVUCRV-LBPRGKRZSA-N 0 3 235.375 3.058 20 0 BGADHN CC(C)(C)[C@H]1CCCN(Cc2c[nH]cn2)CC1 ZINC000093439007 360243526 /nfs/dbraw/zinc/24/35/26/360243526.db2.gz MODOBSMJFVUCRV-LBPRGKRZSA-N 0 3 235.375 3.058 20 0 BGADHN Cn1nccc1CN1CCC[C@@H](C(C)(C)C)CC1 ZINC000093439020 136212170 /nfs/dbraw/zinc/21/21/70/136212170.db2.gz OJOHFINWBMBPMQ-CYBMUJFWSA-N 0 3 249.402 3.068 20 0 BGADHN Cn1nccc1CN1CCC[C@H](C(C)(C)C)CC1 ZINC000093439021 360243288 /nfs/dbraw/zinc/24/32/88/360243288.db2.gz OJOHFINWBMBPMQ-ZDUSSCGKSA-N 0 3 249.402 3.068 20 0 BGADHN CC(C)(C)[C@@H]1CCCN(Cc2cc[nH]n2)CC1 ZINC000093439036 388838575 /nfs/dbraw/zinc/83/85/75/388838575.db2.gz VBYBDPGJVCIHTE-GFCCVEGCSA-N 0 3 235.375 3.058 20 0 BGADHN CC(C)(C)[C@H]1CCCN(Cc2cc[nH]n2)CC1 ZINC000093439037 397989436 /nfs/dbraw/zinc/98/94/36/397989436.db2.gz VBYBDPGJVCIHTE-LBPRGKRZSA-N 0 3 235.375 3.058 20 0 BGADHN c1ncc(CN2CCC[C@@]3(CC=CCC3)C2)s1 ZINC000093439432 360242932 /nfs/dbraw/zinc/24/29/32/360242932.db2.gz XXJSRROFORHBCI-AWEZNQCLSA-N 0 3 248.395 3.465 20 0 BGADHN c1ncc(CN2CCC[C@]3(CC=CCC3)C2)s1 ZINC000093439433 360242770 /nfs/dbraw/zinc/24/27/70/360242770.db2.gz XXJSRROFORHBCI-CQSZACIVSA-N 0 3 248.395 3.465 20 0 BGADHN Cc1n[nH]cc1CN1CCC[C@@]2(CC=CCC2)C1 ZINC000093439560 360243334 /nfs/dbraw/zinc/24/33/34/360243334.db2.gz NDMIIEFKKQEYNZ-HNNXBMFYSA-N 0 3 245.370 3.040 20 0 BGADHN Cc1n[nH]cc1CN1CCC[C@]2(CC=CCC2)C1 ZINC000093439561 360242734 /nfs/dbraw/zinc/24/27/34/360242734.db2.gz NDMIIEFKKQEYNZ-OAHLLOKOSA-N 0 3 245.370 3.040 20 0 BGADHN CC(C)[C@@H]1CCCN(Cc2cncs2)CC1 ZINC000093440633 388838791 /nfs/dbraw/zinc/83/87/91/388838791.db2.gz FJADICJILNZLBQ-GFCCVEGCSA-N 0 3 238.400 3.401 20 0 BGADHN CC(C)[C@H]1CCCN(Cc2cncs2)CC1 ZINC000093440634 388837849 /nfs/dbraw/zinc/83/78/49/388837849.db2.gz FJADICJILNZLBQ-LBPRGKRZSA-N 0 3 238.400 3.401 20 0 BGADHN CCn1cc(CN2CCC[C@H](C(C)C)CC2)cn1 ZINC000093440635 360242301 /nfs/dbraw/zinc/24/23/01/360242301.db2.gz NPBBITXHIPJPKH-HNNXBMFYSA-N 0 3 249.402 3.161 20 0 BGADHN CCn1cc(CN2CCC[C@@H](C(C)C)CC2)cn1 ZINC000093440636 360242286 /nfs/dbraw/zinc/24/22/86/360242286.db2.gz NPBBITXHIPJPKH-OAHLLOKOSA-N 0 3 249.402 3.161 20 0 BGADHN c1coc([C@@H]2CCCCCN2Cc2cnc[nH]2)c1 ZINC000093441680 384239532 /nfs/dbraw/zinc/23/95/32/384239532.db2.gz XZYCJSDFQISTNX-ZDUSSCGKSA-N 0 3 245.326 3.120 20 0 BGADHN c1coc([C@H]2CCCCCN2Cc2cnc[nH]2)c1 ZINC000093441681 384240253 /nfs/dbraw/zinc/24/02/53/384240253.db2.gz XZYCJSDFQISTNX-CYBMUJFWSA-N 0 3 245.326 3.120 20 0 BGADHN Clc1ccc(CN2C[C@@H]3CCC[C@@H]3C2)o1 ZINC000093442878 345671014 /nfs/dbraw/zinc/67/10/14/345671014.db2.gz FUZCPWPGHCQRAK-AOOOYVTPSA-N 0 3 225.719 3.165 20 0 BGADHN Clc1ccc(CN2C[C@H]3CCC[C@@H]3C2)o1 ZINC000093442879 345670618 /nfs/dbraw/zinc/67/06/18/345670618.db2.gz FUZCPWPGHCQRAK-NXEZZACHSA-N 0 3 225.719 3.165 20 0 BGADHN Clc1ccc(CN2C[C@@H]3CCC[C@H]3C2)o1 ZINC000093442880 345670967 /nfs/dbraw/zinc/67/09/67/345670967.db2.gz FUZCPWPGHCQRAK-UWVGGRQHSA-N 0 3 225.719 3.165 20 0 BGADHN Fc1cc(F)cc(CN2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000093442911 388838590 /nfs/dbraw/zinc/83/85/90/388838590.db2.gz AYYKIPIHZJIPRG-TXEJJXNPSA-N 0 3 237.293 3.197 20 0 BGADHN Fc1cc(F)cc(CN2C[C@H]3CCC[C@@H]3C2)c1 ZINC000093442912 325744208 /nfs/dbraw/zinc/74/42/08/325744208.db2.gz AYYKIPIHZJIPRG-VXGBXAGGSA-N 0 3 237.293 3.197 20 0 BGADHN Fc1cc(F)cc(CN2C[C@@H]3CCC[C@H]3C2)c1 ZINC000093442913 388838440 /nfs/dbraw/zinc/83/84/40/388838440.db2.gz AYYKIPIHZJIPRG-RYUDHWBXSA-N 0 3 237.293 3.197 20 0 BGADHN c1nc(C2CC2)sc1CN1C[C@@H]2CCC[C@@H]2C1 ZINC000093443507 388839145 /nfs/dbraw/zinc/83/91/45/388839145.db2.gz CFTODNPWIWNKGF-TXEJJXNPSA-N 0 3 248.395 3.252 20 0 BGADHN c1nc(C2CC2)sc1CN1C[C@H]2CCC[C@@H]2C1 ZINC000093443508 384880036 /nfs/dbraw/zinc/88/00/36/384880036.db2.gz CFTODNPWIWNKGF-VXGBXAGGSA-N 0 3 248.395 3.252 20 0 BGADHN c1nc(C2CC2)sc1CN1C[C@@H]2CCC[C@H]2C1 ZINC000093443509 322975609 /nfs/dbraw/zinc/97/56/09/322975609.db2.gz CFTODNPWIWNKGF-RYUDHWBXSA-N 0 3 248.395 3.252 20 0 BGADHN Fc1cccc(F)c1CN1C[C@@H]2CCC[C@@H]2C1 ZINC000093443544 360244592 /nfs/dbraw/zinc/24/45/92/360244592.db2.gz WZWIAKMMSLNFHG-PHIMTYICSA-N 0 3 237.293 3.197 20 0 BGADHN Fc1cccc(F)c1CN1C[C@H]2CCC[C@@H]2C1 ZINC000093443545 360244233 /nfs/dbraw/zinc/24/42/33/360244233.db2.gz WZWIAKMMSLNFHG-GHMZBOCLSA-N 0 3 237.293 3.197 20 0 BGADHN Fc1cccc(F)c1CN1C[C@@H]2CCC[C@H]2C1 ZINC000093443546 360244406 /nfs/dbraw/zinc/24/44/06/360244406.db2.gz WZWIAKMMSLNFHG-QWRGUYRKSA-N 0 3 237.293 3.197 20 0 BGADHN CC(C)[C@@H]1CCCCN1Cc1cncs1 ZINC000093444045 384237645 /nfs/dbraw/zinc/23/76/45/384237645.db2.gz FSJBUWKWJISSKH-LBPRGKRZSA-N 0 3 224.373 3.154 20 0 BGADHN CC(C)[C@H]1CCCCN1Cc1cncs1 ZINC000093444046 384239247 /nfs/dbraw/zinc/23/92/47/384239247.db2.gz FSJBUWKWJISSKH-GFCCVEGCSA-N 0 3 224.373 3.154 20 0 BGADHN Cc1ccc([O-])c(C[N@@H+]2CCCC[C@@H]2C(C)C)n1 ZINC000093444047 384246314 /nfs/dbraw/zinc/24/63/14/384246314.db2.gz ZLUGBRKMMDHCMU-CQSZACIVSA-N 0 3 248.370 3.106 20 0 BGADHN Cc1ccc([O-])c(C[N@H+]2CCCC[C@@H]2C(C)C)n1 ZINC000093444047 384246310 /nfs/dbraw/zinc/24/63/10/384246310.db2.gz ZLUGBRKMMDHCMU-CQSZACIVSA-N 0 3 248.370 3.106 20 0 BGADHN Cc1ccc([O-])c(C[N@@H+]2CCCC[C@H]2C(C)C)n1 ZINC000093444048 384245677 /nfs/dbraw/zinc/24/56/77/384245677.db2.gz ZLUGBRKMMDHCMU-AWEZNQCLSA-N 0 3 248.370 3.106 20 0 BGADHN Cc1ccc([O-])c(C[N@H+]2CCCC[C@H]2C(C)C)n1 ZINC000093444048 384245674 /nfs/dbraw/zinc/24/56/74/384245674.db2.gz ZLUGBRKMMDHCMU-AWEZNQCLSA-N 0 3 248.370 3.106 20 0 BGADHN CC(C)[C@@H]1CCCC[N@H+]1Cc1cccc([O-])c1 ZINC000093444143 384247262 /nfs/dbraw/zinc/24/72/62/384247262.db2.gz KJMMEGMBGPUUFA-HNNXBMFYSA-N 0 3 233.355 3.403 20 0 BGADHN CC(C)[C@@H]1CCCC[N@@H+]1Cc1cccc([O-])c1 ZINC000093444143 384247258 /nfs/dbraw/zinc/24/72/58/384247258.db2.gz KJMMEGMBGPUUFA-HNNXBMFYSA-N 0 3 233.355 3.403 20 0 BGADHN CC(C)[C@H]1CCCC[N@H+]1Cc1cccc([O-])c1 ZINC000093444144 384246499 /nfs/dbraw/zinc/24/64/99/384246499.db2.gz KJMMEGMBGPUUFA-OAHLLOKOSA-N 0 3 233.355 3.403 20 0 BGADHN CC(C)[C@H]1CCCC[N@@H+]1Cc1cccc([O-])c1 ZINC000093444144 384246492 /nfs/dbraw/zinc/24/64/92/384246492.db2.gz KJMMEGMBGPUUFA-OAHLLOKOSA-N 0 3 233.355 3.403 20 0 BGADHN Cc1cccc([C@@H]2CCCN2Cc2cc[nH]c2)n1 ZINC000093453463 360244736 /nfs/dbraw/zinc/24/47/36/360244736.db2.gz JRJRADLXTKIMEP-HNNXBMFYSA-N 0 3 241.338 3.055 20 0 BGADHN Cc1cccc([C@H]2CCCN2Cc2cc[nH]c2)n1 ZINC000093453464 360244760 /nfs/dbraw/zinc/24/47/60/360244760.db2.gz JRJRADLXTKIMEP-OAHLLOKOSA-N 0 3 241.338 3.055 20 0 BGADHN CCc1ncc(CN2CCC3(CCC3)C2)s1 ZINC000093455772 345671780 /nfs/dbraw/zinc/67/17/80/345671780.db2.gz IVCTVGIVRGWPRF-UHFFFAOYSA-N 0 3 236.384 3.082 20 0 BGADHN COc1ccsc1CN1CCC2(CCC2)C1 ZINC000093455821 344317751 /nfs/dbraw/zinc/31/77/51/344317751.db2.gz AIFNBPXSFRCXMN-UHFFFAOYSA-N 0 3 237.368 3.133 20 0 BGADHN CCc1ccc(CN2CCC3(CCC3)C2)o1 ZINC000093455879 360244107 /nfs/dbraw/zinc/24/41/07/360244107.db2.gz RBSSTCWGEUINQZ-UHFFFAOYSA-N 0 3 219.328 3.218 20 0 BGADHN CC(C)(C)c1n[nH]cc1CN1CCC2(CCC2)C1 ZINC000093455943 360244043 /nfs/dbraw/zinc/24/40/43/360244043.db2.gz UQKKNUJKDXTOLL-UHFFFAOYSA-N 0 3 247.386 3.083 20 0 BGADHN COc1ccccc1CN1CCC2(CCC2)C1 ZINC000093455964 175326119 /nfs/dbraw/zinc/32/61/19/175326119.db2.gz JDDWJPWYMQBPDN-UHFFFAOYSA-N 0 3 231.339 3.071 20 0 BGADHN c1nc(C2CC2)sc1CN1CCC2(CCC2)C1 ZINC000093455993 345972608 /nfs/dbraw/zinc/97/26/08/345972608.db2.gz GRKBIEFNELKGEQ-UHFFFAOYSA-N 0 3 248.395 3.397 20 0 BGADHN c1cc(CN2CCC3(CCC3)C2)cs1 ZINC000093456005 183340867 /nfs/dbraw/zinc/34/08/67/183340867.db2.gz AQCLWTUGQATBRT-UHFFFAOYSA-N 0 3 207.342 3.124 20 0 BGADHN CC[C@]1(C)CCCN(Cc2ccco2)C1 ZINC000093458937 360245689 /nfs/dbraw/zinc/24/56/89/360245689.db2.gz RBEHLYFARFUHTF-CYBMUJFWSA-N 0 3 207.317 3.292 20 0 BGADHN CC[C@@]1(C)CCCN(Cc2ccco2)C1 ZINC000093458938 360245875 /nfs/dbraw/zinc/24/58/75/360245875.db2.gz RBEHLYFARFUHTF-ZDUSSCGKSA-N 0 3 207.317 3.292 20 0 BGADHN CC[C@]1(C)CCCN(Cc2cncs2)C1 ZINC000093458949 384242390 /nfs/dbraw/zinc/24/23/90/384242390.db2.gz ODCLSOMFNLPTNI-GFCCVEGCSA-N 0 3 224.373 3.155 20 0 BGADHN CC[C@@]1(C)CCCN(Cc2cncs2)C1 ZINC000093458950 171198509 /nfs/dbraw/zinc/19/85/09/171198509.db2.gz ODCLSOMFNLPTNI-LBPRGKRZSA-N 0 3 224.373 3.155 20 0 BGADHN CC[C@]1(C)CCC[N@@H+](Cc2nc(C)ccc2[O-])C1 ZINC000093458953 360246037 /nfs/dbraw/zinc/24/60/37/360246037.db2.gz DOHVPTHRJKMBHJ-OAHLLOKOSA-N 0 3 248.370 3.108 20 0 BGADHN CC[C@]1(C)CCC[N@H+](Cc2nc(C)ccc2[O-])C1 ZINC000093458953 360246034 /nfs/dbraw/zinc/24/60/34/360246034.db2.gz DOHVPTHRJKMBHJ-OAHLLOKOSA-N 0 3 248.370 3.108 20 0 BGADHN CC[C@@]1(C)CCC[N@@H+](Cc2nc(C)ccc2[O-])C1 ZINC000093458954 360245641 /nfs/dbraw/zinc/24/56/41/360245641.db2.gz DOHVPTHRJKMBHJ-HNNXBMFYSA-N 0 3 248.370 3.108 20 0 BGADHN CC[C@@]1(C)CCC[N@H+](Cc2nc(C)ccc2[O-])C1 ZINC000093458954 360245637 /nfs/dbraw/zinc/24/56/37/360245637.db2.gz DOHVPTHRJKMBHJ-HNNXBMFYSA-N 0 3 248.370 3.108 20 0 BGADHN CC[C@]1(C)CCCN(Cc2cccnc2C)C1 ZINC000093459049 360245338 /nfs/dbraw/zinc/24/53/38/360245338.db2.gz NABKMBCUJMGNGZ-OAHLLOKOSA-N 0 3 232.371 3.402 20 0 BGADHN CC[C@@]1(C)CCCN(Cc2cccnc2C)C1 ZINC000093459050 360245850 /nfs/dbraw/zinc/24/58/50/360245850.db2.gz NABKMBCUJMGNGZ-HNNXBMFYSA-N 0 3 232.371 3.402 20 0 BGADHN CC[C@]1(C)CCCN(Cc2scnc2C)C1 ZINC000093459053 344317364 /nfs/dbraw/zinc/31/73/64/344317364.db2.gz HUHWJVQLWBLYQK-CYBMUJFWSA-N 0 3 238.400 3.464 20 0 BGADHN CC[C@@]1(C)CCCN(Cc2scnc2C)C1 ZINC000093459054 360245979 /nfs/dbraw/zinc/24/59/79/360245979.db2.gz HUHWJVQLWBLYQK-ZDUSSCGKSA-N 0 3 238.400 3.464 20 0 BGADHN CCOc1cccc(CN2CCC2(C)C)c1 ZINC000093460184 345671376 /nfs/dbraw/zinc/67/13/76/345671376.db2.gz CQXIUEXFAVZTPJ-UHFFFAOYSA-N 0 3 219.328 3.070 20 0 BGADHN Cc1ccc(F)c(CN2CCC2(C)C)c1 ZINC000093460203 345671880 /nfs/dbraw/zinc/67/18/80/345671880.db2.gz LIRRNBCQIWSWCV-UHFFFAOYSA-N 0 3 207.292 3.118 20 0 BGADHN CC1(C)CCN1Cc1c[nH]nc1-c1ccccc1 ZINC000093460268 345672028 /nfs/dbraw/zinc/67/20/28/345672028.db2.gz RYJLALMZBFEPCK-UHFFFAOYSA-N 0 3 241.338 3.061 20 0 BGADHN COc1cccc2cc(CN3CCC3(C)C)oc21 ZINC000093460270 644692211 /nfs/dbraw/zinc/69/22/11/644692211.db2.gz YIEPCHHYVBEAMC-UHFFFAOYSA-N 0 3 245.322 3.426 20 0 BGADHN CC1(C)CCN1Cc1c[nH]nc1-c1cccs1 ZINC000093460282 345973159 /nfs/dbraw/zinc/97/31/59/345973159.db2.gz DHFSBYJIZGRRSM-UHFFFAOYSA-N 0 3 247.367 3.123 20 0 BGADHN CCOc1cc(CN2CCC2(C)C)ccc1OC ZINC000093460308 345672141 /nfs/dbraw/zinc/67/21/41/345672141.db2.gz YOPQUHWLXSMEMZ-UHFFFAOYSA-N 0 3 249.354 3.078 20 0 BGADHN Cc1cc(CN2CCC2(C)C)ccc1F ZINC000093460316 345973123 /nfs/dbraw/zinc/97/31/23/345973123.db2.gz QGUXDHXVYAKESN-UHFFFAOYSA-N 0 3 207.292 3.118 20 0 BGADHN COc1ccccc1/C=C/CN1CCC1(C)C ZINC000093460347 345671763 /nfs/dbraw/zinc/67/17/63/345671763.db2.gz KKFXLXMGFUWCEL-SOFGYWHQSA-N 0 3 231.339 3.193 20 0 BGADHN Cc1cc(F)ccc1CN1CCC1(C)C ZINC000093460359 345671904 /nfs/dbraw/zinc/67/19/04/345671904.db2.gz LJHJEUMQHBJZPC-UHFFFAOYSA-N 0 3 207.292 3.118 20 0 BGADHN CC1(C)CCN1C/C=C/c1ccc(F)cc1 ZINC000093460382 345671402 /nfs/dbraw/zinc/67/14/02/345671402.db2.gz CIPIMXXNSFAMSA-ONEGZZNKSA-N 0 3 219.303 3.323 20 0 BGADHN CC1(C)CCN1Cc1ccccc1OCC1CC1 ZINC000093460409 345672780 /nfs/dbraw/zinc/67/27/80/345672780.db2.gz BSFCUKFMWVVSPD-UHFFFAOYSA-N 0 3 245.366 3.460 20 0 BGADHN CCOc1ccc(CN2CCC2(C)C)cc1OC ZINC000093460467 345673108 /nfs/dbraw/zinc/67/31/08/345673108.db2.gz PAHBTBYMMGHUAI-UHFFFAOYSA-N 0 3 249.354 3.078 20 0 BGADHN Cc1ccc(CN2CCC2(C)C)cc1F ZINC000093460468 345672380 /nfs/dbraw/zinc/67/23/80/345672380.db2.gz SHNAEAUEZJBCEM-UHFFFAOYSA-N 0 3 207.292 3.118 20 0 BGADHN COc1ccc2oc(CN3CCC3(C)C)cc2c1 ZINC000093460499 345672814 /nfs/dbraw/zinc/67/28/14/345672814.db2.gz SUMRGUQFCWCXTR-UHFFFAOYSA-N 0 3 245.322 3.426 20 0 BGADHN Cc1ccc(F)c(CN(C)C2CCC2)c1 ZINC000093475671 360245863 /nfs/dbraw/zinc/24/58/63/360245863.db2.gz FUOLMKGQKBBGQL-UHFFFAOYSA-N 0 3 207.292 3.118 20 0 BGADHN CC(C)c1ncc(CN(C)C2CCC2)s1 ZINC000093475684 360247054 /nfs/dbraw/zinc/24/70/54/360247054.db2.gz PZQFEYOEVLMBPV-UHFFFAOYSA-N 0 3 224.373 3.251 20 0 BGADHN CN(Cc1ncccc1C(F)(F)F)C1CCC1 ZINC000093475688 360246890 /nfs/dbraw/zinc/24/68/90/360246890.db2.gz ZURVNDZAXIPGPL-UHFFFAOYSA-N 0 3 244.260 3.085 20 0 BGADHN CN(Cc1ccc(F)c(Cl)c1)C1CCC1 ZINC000093475745 360246984 /nfs/dbraw/zinc/24/69/84/360246984.db2.gz OZULHLNWOUDTOO-UHFFFAOYSA-N 0 3 227.710 3.463 20 0 BGADHN CN(Cc1c[nH]nc1-c1cccs1)C1CCC1 ZINC000093475753 360246547 /nfs/dbraw/zinc/24/65/47/360246547.db2.gz JTAYHUDQCGKCJI-UHFFFAOYSA-N 0 3 247.367 3.123 20 0 BGADHN CN(Cc1cccc2c1OC(C)(C)C2)C1CCC1 ZINC000093475769 360247117 /nfs/dbraw/zinc/24/71/17/360247117.db2.gz SCCZCVFARCPLRN-UHFFFAOYSA-N 0 3 245.366 3.384 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CN(C)C2CCC2)o1 ZINC000093475830 360247072 /nfs/dbraw/zinc/24/70/72/360247072.db2.gz DQGKUHDILDLGQW-MFKMUULPSA-N 0 3 219.328 3.387 20 0 BGADHN C[C@H]1C[C@@H]1c1ccc(CN(C)C2CCC2)o1 ZINC000093475831 360247089 /nfs/dbraw/zinc/24/70/89/360247089.db2.gz DQGKUHDILDLGQW-GWCFXTLKSA-N 0 3 219.328 3.387 20 0 BGADHN C[C@@H]1C[C@H]1c1ccc(CN(C)C2CCC2)o1 ZINC000093475832 360246919 /nfs/dbraw/zinc/24/69/19/360246919.db2.gz DQGKUHDILDLGQW-ZWNOBZJWSA-N 0 3 219.328 3.387 20 0 BGADHN C[C@H]1C[C@H]1c1ccc(CN(C)C2CCC2)o1 ZINC000093475833 360247013 /nfs/dbraw/zinc/24/70/13/360247013.db2.gz DQGKUHDILDLGQW-GXFFZTMASA-N 0 3 219.328 3.387 20 0 BGADHN CN(Cc1ccccc1OCC1CC1)C1CCC1 ZINC000093475892 360247063 /nfs/dbraw/zinc/24/70/63/360247063.db2.gz BFXHSQYENQBPDI-UHFFFAOYSA-N 0 3 245.366 3.460 20 0 BGADHN CN(Cc1cnc(C(C)(C)C)s1)C1CCC1 ZINC000093475893 360247504 /nfs/dbraw/zinc/24/75/04/360247504.db2.gz FJWKZZUZGCEIGV-UHFFFAOYSA-N 0 3 238.400 3.425 20 0 BGADHN CN(Cc1cnc(C2CC2)s1)C1CCC1 ZINC000093475940 487768758 /nfs/dbraw/zinc/76/87/58/487768758.db2.gz GPPAQTRKMAJDFS-UHFFFAOYSA-N 0 3 222.357 3.005 20 0 BGADHN CN(Cc1cnc(C2CCC2)s1)C1CCC1 ZINC000093475941 360246557 /nfs/dbraw/zinc/24/65/57/360246557.db2.gz LVUSLOYNTQDHFC-UHFFFAOYSA-N 0 3 236.384 3.395 20 0 BGADHN CN(Cc1ccc(Cl)c(F)c1)C1CCC1 ZINC000093475958 360247270 /nfs/dbraw/zinc/24/72/70/360247270.db2.gz PNKODXGHGGADOZ-UHFFFAOYSA-N 0 3 227.710 3.463 20 0 BGADHN CN(Cc1cc(-c2ccccc2)n[nH]1)C1CCC1 ZINC000093475986 360247358 /nfs/dbraw/zinc/24/73/58/360247358.db2.gz PHXHZXKEXQIULU-UHFFFAOYSA-N 0 3 241.338 3.061 20 0 BGADHN CC(C)Cc1ncc(CN(C)C2CCC2)s1 ZINC000093475988 360247111 /nfs/dbraw/zinc/24/71/11/360247111.db2.gz OSVSDNUKEUFAQP-UHFFFAOYSA-N 0 3 238.400 3.326 20 0 BGADHN CCn1cc(CN2CCC[C@H]3CCCC[C@H]32)cn1 ZINC000093480659 360247239 /nfs/dbraw/zinc/24/72/39/360247239.db2.gz GNIABECRAKWDFV-HUUCEWRRSA-N 0 3 247.386 3.058 20 0 BGADHN c1cc(CN2CCC[C@H]3CCCC[C@H]32)ccn1 ZINC000093480668 183342910 /nfs/dbraw/zinc/34/29/10/183342910.db2.gz URYCFIKRMWRFRS-HUUCEWRRSA-N 0 3 230.355 3.236 20 0 BGADHN Cn1ccc(CN2CCC[C@H]3CCCC[C@H]32)c1 ZINC000093480676 360246772 /nfs/dbraw/zinc/24/67/72/360246772.db2.gz ILXNHGQZGNHOKK-HUUCEWRRSA-N 0 3 232.371 3.180 20 0 BGADHN Cn1cccc1CN1CCC[C@H]2CCCC[C@H]21 ZINC000093480745 360246493 /nfs/dbraw/zinc/24/64/93/360246493.db2.gz TVFWFBPJPFUSQS-UKRRQHHQSA-N 0 3 232.371 3.180 20 0 BGADHN CCc1ncc(CN2CC[C@H](C)[C@H](C)C2)s1 ZINC000093480761 345673012 /nfs/dbraw/zinc/67/30/12/345673012.db2.gz QJDSKLRXNJCHCV-WDEREUQCSA-N 0 3 238.400 3.183 20 0 BGADHN CCc1ncc(CN2CC[C@@H](C)[C@H](C)C2)s1 ZINC000093480762 345672948 /nfs/dbraw/zinc/67/29/48/345672948.db2.gz QJDSKLRXNJCHCV-GHMZBOCLSA-N 0 3 238.400 3.183 20 0 BGADHN COc1ccsc1CN1CC[C@@H](C)[C@@H](C)C1 ZINC000093480813 345672580 /nfs/dbraw/zinc/67/25/80/345672580.db2.gz AMHCESYGZJBFRT-MNOVXSKESA-N 0 3 239.384 3.235 20 0 BGADHN COc1ccsc1CN1CC[C@H](C)[C@@H](C)C1 ZINC000093480814 345672431 /nfs/dbraw/zinc/67/24/31/345672431.db2.gz AMHCESYGZJBFRT-QWRGUYRKSA-N 0 3 239.384 3.235 20 0 BGADHN Cc1ccc(CN2CC[C@H](C)[C@H](C)C2)o1 ZINC000093480823 360247123 /nfs/dbraw/zinc/24/71/23/360247123.db2.gz XNWFZCVSPDEZTH-WDEREUQCSA-N 0 3 207.317 3.066 20 0 BGADHN Cc1ccc(CN2CC[C@@H](C)[C@H](C)C2)o1 ZINC000093480824 360246994 /nfs/dbraw/zinc/24/69/94/360246994.db2.gz XNWFZCVSPDEZTH-GHMZBOCLSA-N 0 3 207.317 3.066 20 0 BGADHN C[C@@H]1CCN(Cc2c[nH]nc2C(C)(C)C)C[C@@H]1C ZINC000093480923 388840068 /nfs/dbraw/zinc/84/00/68/388840068.db2.gz JRQMGIGOEWKOQZ-NEPJUHHUSA-N 0 3 249.402 3.185 20 0 BGADHN C[C@H]1CN(Cc2c[nH]nc2C(C)(C)C)CC[C@@H]1C ZINC000093480924 388840188 /nfs/dbraw/zinc/84/01/88/388840188.db2.gz JRQMGIGOEWKOQZ-RYUDHWBXSA-N 0 3 249.402 3.185 20 0 BGADHN C[C@@H]1CCN(Cc2cnn(C(C)(C)C)c2)C[C@@H]1C ZINC000093480999 360247234 /nfs/dbraw/zinc/24/72/34/360247234.db2.gz KQGOKWCKEZTJPJ-OLZOCXBDSA-N 0 3 249.402 3.116 20 0 BGADHN C[C@H]1CN(Cc2cnn(C(C)(C)C)c2)CC[C@@H]1C ZINC000093481000 360247262 /nfs/dbraw/zinc/24/72/62/360247262.db2.gz KQGOKWCKEZTJPJ-STQMWFEESA-N 0 3 249.402 3.116 20 0 BGADHN C[C@H](O)CCN(C)Cc1cc2ccccc2s1 ZINC000093481257 345673141 /nfs/dbraw/zinc/67/31/41/345673141.db2.gz IZIDIUPUHHNJBN-NSHDSACASA-N 0 3 249.379 3.104 20 0 BGADHN C[C@@H](O)CCN(C)Cc1cc2ccccc2s1 ZINC000093481258 345672571 /nfs/dbraw/zinc/67/25/71/345672571.db2.gz IZIDIUPUHHNJBN-LLVKDONJSA-N 0 3 249.379 3.104 20 0 BGADHN CCc1ncc(CN2C[C@H](C)CC[C@@H]2C)s1 ZINC000093498144 345674095 /nfs/dbraw/zinc/67/40/95/345674095.db2.gz NTIJBELIMUTVKT-MNOVXSKESA-N 0 3 238.400 3.326 20 0 BGADHN CCc1ncc(CN2C[C@@H](C)CC[C@@H]2C)s1 ZINC000093498147 345674118 /nfs/dbraw/zinc/67/41/18/345674118.db2.gz NTIJBELIMUTVKT-QWRGUYRKSA-N 0 3 238.400 3.326 20 0 BGADHN COCc1ccc(CN2C[C@H](C)CC[C@@H]2C)o1 ZINC000093498169 384244985 /nfs/dbraw/zinc/24/49/85/384244985.db2.gz VLAIJSCTODBXHA-NEPJUHHUSA-N 0 3 237.343 3.046 20 0 BGADHN COCc1ccc(CN2C[C@@H](C)CC[C@@H]2C)o1 ZINC000093498171 384246434 /nfs/dbraw/zinc/24/64/34/384246434.db2.gz VLAIJSCTODBXHA-RYUDHWBXSA-N 0 3 237.343 3.046 20 0 BGADHN COCc1ccc(CN2C[C@H](C)CC[C@H]2C)o1 ZINC000093498174 384245176 /nfs/dbraw/zinc/24/51/76/384245176.db2.gz VLAIJSCTODBXHA-VXGBXAGGSA-N 0 3 237.343 3.046 20 0 BGADHN COCc1ccc(CN2C[C@@H](C)CC[C@H]2C)o1 ZINC000093498175 384243895 /nfs/dbraw/zinc/24/38/95/384243895.db2.gz VLAIJSCTODBXHA-NWDGAFQWSA-N 0 3 237.343 3.046 20 0 BGADHN COc1ccsc1CN1C[C@H](C)CC[C@@H]1C ZINC000093498339 360238980 /nfs/dbraw/zinc/23/89/80/360238980.db2.gz OOBFJLMQLFJSPV-MNOVXSKESA-N 0 3 239.384 3.377 20 0 BGADHN COc1ccsc1CN1C[C@@H](C)CC[C@@H]1C ZINC000093498341 360239184 /nfs/dbraw/zinc/23/91/84/360239184.db2.gz OOBFJLMQLFJSPV-QWRGUYRKSA-N 0 3 239.384 3.377 20 0 BGADHN COc1ccsc1CN1C[C@H](C)CC[C@H]1C ZINC000093498342 360239289 /nfs/dbraw/zinc/23/92/89/360239289.db2.gz OOBFJLMQLFJSPV-GHMZBOCLSA-N 0 3 239.384 3.377 20 0 BGADHN COc1ccsc1CN1C[C@@H](C)CC[C@H]1C ZINC000093498344 360238860 /nfs/dbraw/zinc/23/88/60/360238860.db2.gz OOBFJLMQLFJSPV-WDEREUQCSA-N 0 3 239.384 3.377 20 0 BGADHN Cc1ncsc1CN1C[C@H](C)CC[C@@H]1C ZINC000093499122 180318535 /nfs/dbraw/zinc/31/85/35/180318535.db2.gz HCMMUZPZYDFYSW-ZJUUUORDSA-N 0 3 224.373 3.072 20 0 BGADHN Cc1ncsc1CN1C[C@@H](C)CC[C@@H]1C ZINC000093499127 180318016 /nfs/dbraw/zinc/31/80/16/180318016.db2.gz HCMMUZPZYDFYSW-UWVGGRQHSA-N 0 3 224.373 3.072 20 0 BGADHN C[C@@H]1CC[C@H](C)N(Cc2cnn(C(C)(C)C)c2)C1 ZINC000093499245 360251045 /nfs/dbraw/zinc/25/10/45/360251045.db2.gz ZGRFCIQABNYECO-OLZOCXBDSA-N 0 3 249.402 3.259 20 0 BGADHN C[C@H]1CC[C@H](C)N(Cc2cnn(C(C)(C)C)c2)C1 ZINC000093499247 360251257 /nfs/dbraw/zinc/25/12/57/360251257.db2.gz ZGRFCIQABNYECO-STQMWFEESA-N 0 3 249.402 3.259 20 0 BGADHN C[C@@H]1CC[C@@H](C)N(Cc2cnn(C(C)(C)C)c2)C1 ZINC000093499249 360250856 /nfs/dbraw/zinc/25/08/56/360250856.db2.gz ZGRFCIQABNYECO-CHWSQXEVSA-N 0 3 249.402 3.259 20 0 BGADHN C[C@@H]1CC[C@H](C)CN1Cc1cnn(C(C)(C)C)c1 ZINC000093499250 360250738 /nfs/dbraw/zinc/25/07/38/360250738.db2.gz ZGRFCIQABNYECO-QWHCGFSZSA-N 0 3 249.402 3.259 20 0 BGADHN C[C@@H]1[C@H](C)SCCN1Cc1cccs1 ZINC000093500047 384243845 /nfs/dbraw/zinc/24/38/45/384243845.db2.gz AWQYBPAMAWRGQF-ZJUUUORDSA-N 0 3 227.398 3.074 20 0 BGADHN C[C@@H]1SCCN(Cc2cccs2)[C@H]1C ZINC000093500052 384245627 /nfs/dbraw/zinc/24/56/27/384245627.db2.gz AWQYBPAMAWRGQF-UWVGGRQHSA-N 0 3 227.398 3.074 20 0 BGADHN C[C@H]1SCCN(Cc2cccs2)[C@@H]1C ZINC000093500057 384246275 /nfs/dbraw/zinc/24/62/75/384246275.db2.gz AWQYBPAMAWRGQF-NXEZZACHSA-N 0 3 227.398 3.074 20 0 BGADHN C[C@H]1SCCN(Cc2cccs2)[C@H]1C ZINC000093500069 384244722 /nfs/dbraw/zinc/24/47/22/384244722.db2.gz AWQYBPAMAWRGQF-VHSXEESVSA-N 0 3 227.398 3.074 20 0 BGADHN Cc1ccc(CN2CCS[C@H](C)[C@@H]2C)s1 ZINC000093500100 360250750 /nfs/dbraw/zinc/25/07/50/360250750.db2.gz KBFWIYOOPXVFJJ-WDEREUQCSA-N 0 3 241.425 3.382 20 0 BGADHN Cc1ccc(CN2CCS[C@@H](C)[C@@H]2C)s1 ZINC000093500107 360251178 /nfs/dbraw/zinc/25/11/78/360251178.db2.gz KBFWIYOOPXVFJJ-QWRGUYRKSA-N 0 3 241.425 3.382 20 0 BGADHN Cc1ccsc1CN1CCS[C@H](C)[C@@H]1C ZINC000093500498 360250869 /nfs/dbraw/zinc/25/08/69/360250869.db2.gz MDFAWYUXCOSFRL-WDEREUQCSA-N 0 3 241.425 3.382 20 0 BGADHN Cc1ccsc1CN1CCS[C@@H](C)[C@@H]1C ZINC000093500501 360251531 /nfs/dbraw/zinc/25/15/31/360251531.db2.gz MDFAWYUXCOSFRL-QWRGUYRKSA-N 0 3 241.425 3.382 20 0 BGADHN Cc1cc(CN2CCS[C@H](C)[C@@H]2C)c(C)o1 ZINC000093501173 634559740 /nfs/dbraw/zinc/55/97/40/634559740.db2.gz WUPWXKLPXQVIPB-CMPLNLGQSA-N 0 3 239.384 3.222 20 0 BGADHN Cc1cc(CN2CCS[C@@H](C)[C@@H]2C)c(C)o1 ZINC000093501176 634560231 /nfs/dbraw/zinc/56/02/31/634560231.db2.gz WUPWXKLPXQVIPB-JQWIXIFHSA-N 0 3 239.384 3.222 20 0 BGADHN C[C@@H]1[C@H](C)SCCN1Cc1ccsc1 ZINC000093501628 384245167 /nfs/dbraw/zinc/24/51/67/384245167.db2.gz GUKBMSKTHZXTRM-ZJUUUORDSA-N 0 3 227.398 3.074 20 0 BGADHN C[C@@H]1SCCN(Cc2ccsc2)[C@H]1C ZINC000093501629 384244083 /nfs/dbraw/zinc/24/40/83/384244083.db2.gz GUKBMSKTHZXTRM-UWVGGRQHSA-N 0 3 227.398 3.074 20 0 BGADHN C[C@H]1SCCN(Cc2ccsc2)[C@@H]1C ZINC000093501630 384244951 /nfs/dbraw/zinc/24/49/51/384244951.db2.gz GUKBMSKTHZXTRM-NXEZZACHSA-N 0 3 227.398 3.074 20 0 BGADHN C[C@H]1SCCN(Cc2ccsc2)[C@H]1C ZINC000093501631 384244227 /nfs/dbraw/zinc/24/42/27/384244227.db2.gz GUKBMSKTHZXTRM-VHSXEESVSA-N 0 3 227.398 3.074 20 0 BGADHN CC[C@@H]1CN(Cc2cccs2)CCS1 ZINC000093502108 188145354 /nfs/dbraw/zinc/14/53/54/188145354.db2.gz NLAQOJXRRUAQEF-SNVBAGLBSA-N 0 3 227.398 3.076 20 0 BGADHN CC[C@H]1CN(Cc2cccs2)CCS1 ZINC000093502109 384246372 /nfs/dbraw/zinc/24/63/72/384246372.db2.gz NLAQOJXRRUAQEF-JTQLQIEISA-N 0 3 227.398 3.076 20 0 BGADHN CC[C@@H]1CN(Cc2ccc(C)s2)CCS1 ZINC000093502117 360251016 /nfs/dbraw/zinc/25/10/16/360251016.db2.gz USUWAMBUWAVPOQ-LLVKDONJSA-N 0 3 241.425 3.384 20 0 BGADHN CC[C@H]1CN(Cc2ccc(C)s2)CCS1 ZINC000093502118 360251495 /nfs/dbraw/zinc/25/14/95/360251495.db2.gz USUWAMBUWAVPOQ-NSHDSACASA-N 0 3 241.425 3.384 20 0 BGADHN CC[C@@H]1CN(Cc2sccc2C)CCS1 ZINC000093502182 360252068 /nfs/dbraw/zinc/25/20/68/360252068.db2.gz KFLNPEAHTJHMPG-LLVKDONJSA-N 0 3 241.425 3.384 20 0 BGADHN CC[C@H]1CN(Cc2sccc2C)CCS1 ZINC000093502183 360252262 /nfs/dbraw/zinc/25/22/62/360252262.db2.gz KFLNPEAHTJHMPG-NSHDSACASA-N 0 3 241.425 3.384 20 0 BGADHN CC[C@@H]1CN(Cc2cc(C)oc2C)CCS1 ZINC000093502289 644692445 /nfs/dbraw/zinc/69/24/45/644692445.db2.gz STBRKWMRLJHOMS-CYBMUJFWSA-N 0 3 239.384 3.224 20 0 BGADHN CC[C@H]1CN(Cc2cc(C)oc2C)CCS1 ZINC000093502290 644692274 /nfs/dbraw/zinc/69/22/74/644692274.db2.gz STBRKWMRLJHOMS-ZDUSSCGKSA-N 0 3 239.384 3.224 20 0 BGADHN CC[C@@H]1CN(Cc2ccsc2)CCS1 ZINC000093502406 171091824 /nfs/dbraw/zinc/09/18/24/171091824.db2.gz ARLYEOAPBWFQHQ-LLVKDONJSA-N 0 3 227.398 3.076 20 0 BGADHN CC[C@H]1CN(Cc2ccsc2)CCS1 ZINC000093502407 384244312 /nfs/dbraw/zinc/24/43/12/384244312.db2.gz ARLYEOAPBWFQHQ-NSHDSACASA-N 0 3 227.398 3.076 20 0 BGADHN C[C@H]1CN(Cc2ccc(Cl)o2)C[C@H]1C ZINC000093503286 345674673 /nfs/dbraw/zinc/67/46/73/345674673.db2.gz UOPILGGGKUTWRC-DTORHVGOSA-N 0 3 213.708 3.021 20 0 BGADHN C[C@H]1CN(Cc2ccc(Cl)o2)C[C@@H]1C ZINC000093503287 345674623 /nfs/dbraw/zinc/67/46/23/345674623.db2.gz UOPILGGGKUTWRC-IUCAKERBSA-N 0 3 213.708 3.021 20 0 BGADHN C[C@@H]1CN(Cc2ccc(Cl)o2)C[C@H]1C ZINC000093503288 345674708 /nfs/dbraw/zinc/67/47/08/345674708.db2.gz UOPILGGGKUTWRC-RKDXNWHRSA-N 0 3 213.708 3.021 20 0 BGADHN C[C@H]1CN(Cc2cc(F)cc(F)c2)C[C@H]1C ZINC000093503313 345674659 /nfs/dbraw/zinc/67/46/59/345674659.db2.gz NBFODJAQTRXYSY-AOOOYVTPSA-N 0 3 225.282 3.053 20 0 BGADHN C[C@H]1CN(Cc2cc(F)cc(F)c2)C[C@@H]1C ZINC000093503314 345674675 /nfs/dbraw/zinc/67/46/75/345674675.db2.gz NBFODJAQTRXYSY-UWVGGRQHSA-N 0 3 225.282 3.053 20 0 BGADHN C[C@@H]1CN(Cc2cc(F)cc(F)c2)C[C@H]1C ZINC000093503315 345674405 /nfs/dbraw/zinc/67/44/05/345674405.db2.gz NBFODJAQTRXYSY-NXEZZACHSA-N 0 3 225.282 3.053 20 0 BGADHN CC(C)c1ncc(CN2C[C@H](C)[C@H](C)C2)s1 ZINC000093503364 345674600 /nfs/dbraw/zinc/67/46/00/345674600.db2.gz CPGNGMPVKRFJSO-PHIMTYICSA-N 0 3 238.400 3.354 20 0 BGADHN CC(C)c1ncc(CN2C[C@H](C)[C@@H](C)C2)s1 ZINC000093503365 360249124 /nfs/dbraw/zinc/24/91/24/360249124.db2.gz CPGNGMPVKRFJSO-QWRGUYRKSA-N 0 3 238.400 3.354 20 0 BGADHN CC(C)c1ncc(CN2C[C@@H](C)[C@H](C)C2)s1 ZINC000093503366 345674655 /nfs/dbraw/zinc/67/46/55/345674655.db2.gz CPGNGMPVKRFJSO-GHMZBOCLSA-N 0 3 238.400 3.354 20 0 BGADHN C[C@H]1CN(Cc2cnc(C3CC3)s2)C[C@H]1C ZINC000093504050 345661503 /nfs/dbraw/zinc/66/15/03/345661503.db2.gz FFIJTKXILXCTOX-AOOOYVTPSA-N 0 3 236.384 3.108 20 0 BGADHN C[C@H]1CN(Cc2cnc(C3CC3)s2)C[C@@H]1C ZINC000093504051 345661442 /nfs/dbraw/zinc/66/14/42/345661442.db2.gz FFIJTKXILXCTOX-UWVGGRQHSA-N 0 3 236.384 3.108 20 0 BGADHN C[C@@H]1CN(Cc2cnc(C3CC3)s2)C[C@H]1C ZINC000093504053 345661188 /nfs/dbraw/zinc/66/11/88/345661188.db2.gz FFIJTKXILXCTOX-NXEZZACHSA-N 0 3 236.384 3.108 20 0 BGADHN CC1(C)CN(Cc2cccs2)CCS1 ZINC000093504347 344318441 /nfs/dbraw/zinc/31/84/41/344318441.db2.gz AXIMHXUHVCEGTI-UHFFFAOYSA-N 0 3 227.398 3.076 20 0 BGADHN Cc1ccc(CN2CCSC(C)(C)C2)s1 ZINC000093504352 360252427 /nfs/dbraw/zinc/25/24/27/360252427.db2.gz NCIUDXOZKVDOTH-UHFFFAOYSA-N 0 3 241.425 3.384 20 0 BGADHN Cc1ccsc1CN1CCSC(C)(C)C1 ZINC000093504421 352211385 /nfs/dbraw/zinc/21/13/85/352211385.db2.gz NFUXBBCTHUWTOZ-UHFFFAOYSA-N 0 3 241.425 3.384 20 0 BGADHN Cc1cc(CN2CCSC(C)(C)C2)c(C)o1 ZINC000093504535 644691319 /nfs/dbraw/zinc/69/13/19/644691319.db2.gz OKILTHCEGWHAGF-UHFFFAOYSA-N 0 3 239.384 3.224 20 0 BGADHN CC1(C)CN(Cc2ccsc2)CCS1 ZINC000093504703 344318280 /nfs/dbraw/zinc/31/82/80/344318280.db2.gz DHUHGQDEIWQLFP-UHFFFAOYSA-N 0 3 227.398 3.076 20 0 BGADHN Cc1nn(C)cc1CN(C)C1CCC(C)(C)CC1 ZINC000093508315 360252448 /nfs/dbraw/zinc/25/24/48/360252448.db2.gz MAWZFLDAWNXISM-UHFFFAOYSA-N 0 3 249.402 3.129 20 0 BGADHN Cc1n[nH]cc1CN(C)C1CCC(C)(C)CC1 ZINC000093508405 360252661 /nfs/dbraw/zinc/25/26/61/360252661.db2.gz KUPLXGDIPNLJJW-UHFFFAOYSA-N 0 3 235.375 3.119 20 0 BGADHN CCC[C@]1(C)CCCN(Cc2cn(C)nc2C)C1 ZINC000093509026 360252465 /nfs/dbraw/zinc/25/24/65/360252465.db2.gz WTKNDMKENTYXSG-OAHLLOKOSA-N 0 3 249.402 3.131 20 0 BGADHN CCC[C@@]1(C)CCCN(Cc2cn(C)nc2C)C1 ZINC000093509027 360252224 /nfs/dbraw/zinc/25/22/24/360252224.db2.gz WTKNDMKENTYXSG-HNNXBMFYSA-N 0 3 249.402 3.131 20 0 BGADHN CCC[C@]1(C)CCCN(Cc2cnn(CC)c2)C1 ZINC000093509039 360252673 /nfs/dbraw/zinc/25/26/73/360252673.db2.gz NSDMLNULJACHMH-OAHLLOKOSA-N 0 3 249.402 3.305 20 0 BGADHN CCC[C@@]1(C)CCCN(Cc2cnn(CC)c2)C1 ZINC000093509040 360253179 /nfs/dbraw/zinc/25/31/79/360253179.db2.gz NSDMLNULJACHMH-HNNXBMFYSA-N 0 3 249.402 3.305 20 0 BGADHN CCC[C@]1(C)CCCN(Cc2c[nH]nc2C)C1 ZINC000093509107 360253949 /nfs/dbraw/zinc/25/39/49/360253949.db2.gz JUYSOPCSAAQHLG-CQSZACIVSA-N 0 3 235.375 3.120 20 0 BGADHN CCC[C@@]1(C)CCCN(Cc2c[nH]nc2C)C1 ZINC000093509108 360254502 /nfs/dbraw/zinc/25/45/02/360254502.db2.gz JUYSOPCSAAQHLG-AWEZNQCLSA-N 0 3 235.375 3.120 20 0 BGADHN C[C@@H]1CCC[C@H](C)N(Cc2cncs2)C1 ZINC000093509138 360253885 /nfs/dbraw/zinc/25/38/85/360253885.db2.gz ZEJNQSWEPLHBLE-MNOVXSKESA-N 0 3 224.373 3.154 20 0 BGADHN C[C@H]1CCC[C@H](C)N(Cc2cncs2)C1 ZINC000093509139 387220061 /nfs/dbraw/zinc/22/00/61/387220061.db2.gz ZEJNQSWEPLHBLE-QWRGUYRKSA-N 0 3 224.373 3.154 20 0 BGADHN C[C@@H]1CCC[C@@H](C)N(Cc2cncs2)C1 ZINC000093509140 360254164 /nfs/dbraw/zinc/25/41/64/360254164.db2.gz ZEJNQSWEPLHBLE-GHMZBOCLSA-N 0 3 224.373 3.154 20 0 BGADHN C[C@@H]1CCC[C@H](C)CN1Cc1cncs1 ZINC000093509141 360253956 /nfs/dbraw/zinc/25/39/56/360253956.db2.gz ZEJNQSWEPLHBLE-WDEREUQCSA-N 0 3 224.373 3.154 20 0 BGADHN CSCCN(C)Cc1coc2ccccc12 ZINC000093509446 360254373 /nfs/dbraw/zinc/25/43/73/360254373.db2.gz XFWWOKLEOHDRKS-UHFFFAOYSA-N 0 3 235.352 3.228 20 0 BGADHN CSCCN(C)Cc1ccc(F)c(Cl)c1 ZINC000093509464 360254006 /nfs/dbraw/zinc/25/40/06/360254006.db2.gz FLNZKNAQIHKXSO-UHFFFAOYSA-N 0 3 247.766 3.274 20 0 BGADHN CSCCN(C)Cc1cccc(C)c1C ZINC000093509497 360254628 /nfs/dbraw/zinc/25/46/28/360254628.db2.gz ULVZYXATRNNXAT-UHFFFAOYSA-N 0 3 223.385 3.098 20 0 BGADHN CSCCN(C)C/C(C)=C/c1ccccc1 ZINC000093509547 388841960 /nfs/dbraw/zinc/84/19/60/388841960.db2.gz OFQDKHQPHNAWDJ-ACCUITESSA-N 0 3 235.396 3.385 20 0 BGADHN CSCCN(C)C/C=C/c1ccc(F)cc1 ZINC000093509571 360253963 /nfs/dbraw/zinc/25/39/63/360253963.db2.gz HGOODSPZXVUJRM-ONEGZZNKSA-N 0 3 239.359 3.134 20 0 BGADHN CSCCN(C)Cc1ccc(C)c(C)c1 ZINC000093509580 360254288 /nfs/dbraw/zinc/25/42/88/360254288.db2.gz KPLKYGOKTIWIMB-UHFFFAOYSA-N 0 3 223.385 3.098 20 0 BGADHN CC[C@@H]1CCCCCN1Cc1cncs1 ZINC000093530136 360255810 /nfs/dbraw/zinc/25/58/10/360255810.db2.gz BXAUXYXIBRPFED-LLVKDONJSA-N 0 3 224.373 3.298 20 0 BGADHN CC[C@H]1CCCCCN1Cc1cncs1 ZINC000093530137 360255786 /nfs/dbraw/zinc/25/57/86/360255786.db2.gz BXAUXYXIBRPFED-NSHDSACASA-N 0 3 224.373 3.298 20 0 BGADHN CSCC[C@H](C)N(C)Cc1ccc(C)o1 ZINC000093558651 398311589 /nfs/dbraw/zinc/31/15/89/398311589.db2.gz SBZGMVNSNXGPFJ-JTQLQIEISA-N 0 3 227.373 3.161 20 0 BGADHN CSCC[C@@H](C)N(C)Cc1ccc(C)o1 ZINC000093558652 398311569 /nfs/dbraw/zinc/31/15/69/398311569.db2.gz SBZGMVNSNXGPFJ-SNVBAGLBSA-N 0 3 227.373 3.161 20 0 BGADHN CCc1ccc(CN(C)[C@@H](C)CCSC)o1 ZINC000093558753 360257448 /nfs/dbraw/zinc/25/74/48/360257448.db2.gz QCRJLFCEVLHHCB-NSHDSACASA-N 0 3 241.400 3.415 20 0 BGADHN CCc1ccc(CN(C)[C@H](C)CCSC)o1 ZINC000093558754 360256916 /nfs/dbraw/zinc/25/69/16/360256916.db2.gz QCRJLFCEVLHHCB-LLVKDONJSA-N 0 3 241.400 3.415 20 0 BGADHN CSCC[C@H](C)N(C)Cc1occc1C ZINC000093558875 360257025 /nfs/dbraw/zinc/25/70/25/360257025.db2.gz OFSCDIVGSVGNOS-NSHDSACASA-N 0 3 227.373 3.161 20 0 BGADHN CSCC[C@@H](C)N(C)Cc1occc1C ZINC000093558876 360256582 /nfs/dbraw/zinc/25/65/82/360256582.db2.gz OFSCDIVGSVGNOS-LLVKDONJSA-N 0 3 227.373 3.161 20 0 BGADHN CSCC[C@H](C)N(C)Cc1scnc1C ZINC000093558941 384250969 /nfs/dbraw/zinc/25/09/69/384250969.db2.gz YJUQHYFVDZHZBG-VIFPVBQESA-N 0 3 244.429 3.025 20 0 BGADHN CSCC[C@@H](C)N(C)Cc1scnc1C ZINC000093558942 384251990 /nfs/dbraw/zinc/25/19/90/384251990.db2.gz YJUQHYFVDZHZBG-SECBINFHSA-N 0 3 244.429 3.025 20 0 BGADHN CSCC[C@H](C)N(C)Cc1ccsc1 ZINC000093558970 384251223 /nfs/dbraw/zinc/25/12/23/384251223.db2.gz GKZLLAFRXVBZBP-JTQLQIEISA-N 0 3 229.414 3.322 20 0 BGADHN CSCC[C@@H](C)N(C)Cc1ccsc1 ZINC000093558971 384251910 /nfs/dbraw/zinc/25/19/10/384251910.db2.gz GKZLLAFRXVBZBP-SNVBAGLBSA-N 0 3 229.414 3.322 20 0 BGADHN CC(C)C[C@@H]1CCCCCN1Cc1cc[nH]n1 ZINC000093563504 360256946 /nfs/dbraw/zinc/25/69/46/360256946.db2.gz OBLABZNLZGZZSU-AWEZNQCLSA-N 0 3 235.375 3.200 20 0 BGADHN CC(C)C[C@H]1CCCCCN1Cc1cc[nH]n1 ZINC000093563505 360257280 /nfs/dbraw/zinc/25/72/80/360257280.db2.gz OBLABZNLZGZZSU-CQSZACIVSA-N 0 3 235.375 3.200 20 0 BGADHN Cc1cccc(CN(C)Cc2cccn2C)c1C ZINC000093584540 360257392 /nfs/dbraw/zinc/25/73/92/360257392.db2.gz LYCXRUOUFQNELI-UHFFFAOYSA-N 0 3 242.366 3.274 20 0 BGADHN Cc1ccc(CN(C)Cc2cccn2C)cc1C ZINC000093584697 360256635 /nfs/dbraw/zinc/25/66/35/360256635.db2.gz MDNXPFGHIZVRBU-UHFFFAOYSA-N 0 3 242.366 3.274 20 0 BGADHN Clc1ccc(CN2C[C@@H]3CC=CC[C@@H]3C2)o1 ZINC000093589412 643338229 /nfs/dbraw/zinc/33/82/29/643338229.db2.gz BSIXVYYUQNGLER-PHIMTYICSA-N 0 3 237.730 3.331 20 0 BGADHN COCc1ccc(CN(C(C)C)C2CCC2)o1 ZINC000093608248 360264773 /nfs/dbraw/zinc/26/47/73/360264773.db2.gz TWLNJTAIJYJBNJ-UHFFFAOYSA-N 0 3 237.343 3.189 20 0 BGADHN CC(C)N(Cc1cccc2c1OCO2)C1CCC1 ZINC000093608294 360264911 /nfs/dbraw/zinc/26/49/11/360264911.db2.gz XUEDTNVMYNGXJN-UHFFFAOYSA-N 0 3 247.338 3.178 20 0 BGADHN CC(C)[N@@H+](Cc1cccc([O-])c1)C1CCC1 ZINC000093608390 360264475 /nfs/dbraw/zinc/26/44/75/360264475.db2.gz VNVKGLKJANOEAY-UHFFFAOYSA-N 0 3 219.328 3.155 20 0 BGADHN CC(C)[N@H+](Cc1cccc([O-])c1)C1CCC1 ZINC000093608390 360264474 /nfs/dbraw/zinc/26/44/74/360264474.db2.gz VNVKGLKJANOEAY-UHFFFAOYSA-N 0 3 219.328 3.155 20 0 BGADHN Cc1ncsc1CN(C(C)C)C1CCC1 ZINC000093608410 135601612 /nfs/dbraw/zinc/60/16/12/135601612.db2.gz XJRIDOMSITYWNS-UHFFFAOYSA-N 0 3 224.373 3.214 20 0 BGADHN CC(C)N(Cc1cnn(C(C)(C)C)c1)C1CCC1 ZINC000093608438 360264460 /nfs/dbraw/zinc/26/44/60/360264460.db2.gz LWUFZTLPFIYPHH-UHFFFAOYSA-N 0 3 249.402 3.401 20 0 BGADHN Cc1cccc(CN2CCOC3(CCC3)C2)c1C ZINC000093640191 360264142 /nfs/dbraw/zinc/26/41/42/360264142.db2.gz GGMSAJMIALSXLE-UHFFFAOYSA-N 0 3 245.366 3.058 20 0 BGADHN CC[C@H](NCc1cnn(C)c1C)c1cccs1 ZINC000093650168 360267889 /nfs/dbraw/zinc/26/78/89/360267889.db2.gz FUHGYXRTHXKNKX-LBPRGKRZSA-N 0 3 249.383 3.031 20 0 BGADHN CC[C@@H](NCc1cnn(C)c1C)c1cccs1 ZINC000093650169 135603602 /nfs/dbraw/zinc/60/36/02/135603602.db2.gz FUHGYXRTHXKNKX-GFCCVEGCSA-N 0 3 249.383 3.031 20 0 BGADHN CC1(C)CCCN(Cc2cncs2)CC1 ZINC000093660274 384257153 /nfs/dbraw/zinc/25/71/53/384257153.db2.gz SWOCISWABZMUFW-UHFFFAOYSA-N 0 3 224.373 3.155 20 0 BGADHN CC1(C)[C@@H]2CN(Cc3cc(F)cc(F)c3)C[C@@H]21 ZINC000093660977 388847536 /nfs/dbraw/zinc/84/75/36/388847536.db2.gz SVKMIPGIIDOWDL-BETUJISGSA-N 0 3 237.293 3.053 20 0 BGADHN CC1(C)[C@@H]2CN(Cc3cnc(C4CC4)s3)C[C@@H]21 ZINC000093661159 345663231 /nfs/dbraw/zinc/66/32/31/345663231.db2.gz QCVHMNLEYOQUOR-TXEJJXNPSA-N 0 3 248.395 3.108 20 0 BGADHN c1coc(CN2CCC3(C2)CCCCC3)c1 ZINC000093663685 360267876 /nfs/dbraw/zinc/26/78/76/360267876.db2.gz DBDPEWGSNULGFV-UHFFFAOYSA-N 0 3 219.328 3.436 20 0 BGADHN c1ncc(CN2CCC3(C2)CCCCC3)s1 ZINC000093663695 360268111 /nfs/dbraw/zinc/26/81/11/360268111.db2.gz BRBQEIKTOYWLAU-UHFFFAOYSA-N 0 3 236.384 3.299 20 0 BGADHN CCn1cc(CN2CCC3(C2)CCCCC3)cn1 ZINC000093663696 360268323 /nfs/dbraw/zinc/26/83/23/360268323.db2.gz OCQUECSYXJCXTI-UHFFFAOYSA-N 0 3 247.386 3.059 20 0 BGADHN CC(C)C1CCN(Cc2ccco2)CC1 ZINC000093669993 322970509 /nfs/dbraw/zinc/97/05/09/322970509.db2.gz VRPBHPGVRAXIDF-UHFFFAOYSA-N 0 3 207.317 3.148 20 0 BGADHN CC(C)C1CCN(Cc2cncs2)CC1 ZINC000093670013 345974543 /nfs/dbraw/zinc/97/45/43/345974543.db2.gz JTOSKNHCLIWNJT-UHFFFAOYSA-N 0 3 224.373 3.011 20 0 BGADHN CC(C)C1CCN(Cc2cccc(O)c2)CC1 ZINC000093670119 386842069 /nfs/dbraw/zinc/84/20/69/386842069.db2.gz IDRCPESNOXEEDK-UHFFFAOYSA-N 0 3 233.355 3.260 20 0 BGADHN CC(C)C1CCN(Cc2ccoc2)CC1 ZINC000093670124 631570268 /nfs/dbraw/zinc/57/02/68/631570268.db2.gz SFVGJBOAXHGHDT-UHFFFAOYSA-N 0 3 207.317 3.148 20 0 BGADHN Cc1ncccc1CN1CCC(C(C)C)CC1 ZINC000093670135 322970459 /nfs/dbraw/zinc/97/04/59/322970459.db2.gz SGAXQGHIPYMNDN-UHFFFAOYSA-N 0 3 232.371 3.258 20 0 BGADHN Cc1ncsc1CN1CCC(C(C)C)CC1 ZINC000093670140 388847180 /nfs/dbraw/zinc/84/71/80/388847180.db2.gz MLVCHLQNLUWTQS-UHFFFAOYSA-N 0 3 238.400 3.320 20 0 BGADHN Cc1ccoc1CN(C)CCc1cccs1 ZINC000093685530 384263110 /nfs/dbraw/zinc/26/31/10/384263110.db2.gz NUKPEOXYNMTOHH-UHFFFAOYSA-N 0 3 235.352 3.324 20 0 BGADHN Cc1ncccc1CN(C)CCc1cccs1 ZINC000093685583 360268661 /nfs/dbraw/zinc/26/86/61/360268661.db2.gz POIQYCQENQQYEH-UHFFFAOYSA-N 0 3 246.379 3.126 20 0 BGADHN c1coc(CN2CCS[C@H]3CCCC[C@@H]32)c1 ZINC000093689879 384261069 /nfs/dbraw/zinc/26/10/69/384261069.db2.gz XYEDFHWGRQDHGQ-STQMWFEESA-N 0 3 237.368 3.140 20 0 BGADHN c1coc(CN2CCS[C@@H]3CCCC[C@@H]32)c1 ZINC000093689882 384262679 /nfs/dbraw/zinc/26/26/79/384262679.db2.gz XYEDFHWGRQDHGQ-QWHCGFSZSA-N 0 3 237.368 3.140 20 0 BGADHN CCC[C@@H]1CCCN(Cc2ccco2)C1 ZINC000093704690 360271833 /nfs/dbraw/zinc/27/18/33/360271833.db2.gz SQVSOJVORZUUHE-GFCCVEGCSA-N 0 3 207.317 3.292 20 0 BGADHN CCC[C@H]1CCCN(Cc2ccco2)C1 ZINC000093704691 360271863 /nfs/dbraw/zinc/27/18/63/360271863.db2.gz SQVSOJVORZUUHE-LBPRGKRZSA-N 0 3 207.317 3.292 20 0 BGADHN CCC[C@@H]1CCCN(Cc2cncs2)C1 ZINC000093704702 384265948 /nfs/dbraw/zinc/26/59/48/384265948.db2.gz XMXVWZIIJHSXTG-LLVKDONJSA-N 0 3 224.373 3.155 20 0 BGADHN CCC[C@H]1CCCN(Cc2cncs2)C1 ZINC000093704703 384265814 /nfs/dbraw/zinc/26/58/14/384265814.db2.gz XMXVWZIIJHSXTG-NSHDSACASA-N 0 3 224.373 3.155 20 0 BGADHN CCC[C@@H]1CCC[N@@H+](Cc2nc(C)ccc2[O-])C1 ZINC000093704706 360272748 /nfs/dbraw/zinc/27/27/48/360272748.db2.gz YKANJQJJPNBKGV-CYBMUJFWSA-N 0 3 248.370 3.108 20 0 BGADHN CCC[C@@H]1CCC[N@H+](Cc2nc(C)ccc2[O-])C1 ZINC000093704706 360272743 /nfs/dbraw/zinc/27/27/43/360272743.db2.gz YKANJQJJPNBKGV-CYBMUJFWSA-N 0 3 248.370 3.108 20 0 BGADHN CCC[C@H]1CCC[N@@H+](Cc2nc(C)ccc2[O-])C1 ZINC000093704707 360272065 /nfs/dbraw/zinc/27/20/65/360272065.db2.gz YKANJQJJPNBKGV-ZDUSSCGKSA-N 0 3 248.370 3.108 20 0 BGADHN CCC[C@H]1CCC[N@H+](Cc2nc(C)ccc2[O-])C1 ZINC000093704707 360272062 /nfs/dbraw/zinc/27/20/62/360272062.db2.gz YKANJQJJPNBKGV-ZDUSSCGKSA-N 0 3 248.370 3.108 20 0 BGADHN CCC[C@@H]1CCCN(Cc2scnc2C)C1 ZINC000093704804 360273454 /nfs/dbraw/zinc/27/34/54/360273454.db2.gz FWBJVLOSCFEKAI-GFCCVEGCSA-N 0 3 238.400 3.464 20 0 BGADHN CCC[C@H]1CCCN(Cc2scnc2C)C1 ZINC000093704805 360273294 /nfs/dbraw/zinc/27/32/94/360273294.db2.gz FWBJVLOSCFEKAI-LBPRGKRZSA-N 0 3 238.400 3.464 20 0 BGADHN C[C@@H](Cc1ccsc1)N(C)Cc1ccco1 ZINC000093705582 388847985 /nfs/dbraw/zinc/84/79/85/388847985.db2.gz UQLVOURTEWARRH-NSHDSACASA-N 0 3 235.352 3.404 20 0 BGADHN C[C@H](Cc1ccsc1)N(C)Cc1ccco1 ZINC000093705583 388848990 /nfs/dbraw/zinc/84/89/90/388848990.db2.gz UQLVOURTEWARRH-LLVKDONJSA-N 0 3 235.352 3.404 20 0 BGADHN C[C@@H](Cc1ccsc1)N(C)Cc1ccoc1 ZINC000093705807 345663541 /nfs/dbraw/zinc/66/35/41/345663541.db2.gz DBANLRZDGSEGLD-NSHDSACASA-N 0 3 235.352 3.404 20 0 BGADHN C[C@H](Cc1ccsc1)N(C)Cc1ccoc1 ZINC000093705808 345663327 /nfs/dbraw/zinc/66/33/27/345663327.db2.gz DBANLRZDGSEGLD-LLVKDONJSA-N 0 3 235.352 3.404 20 0 BGADHN C[C@@H](Cc1ccsc1)N(C)Cc1cccn1C ZINC000093705862 345975470 /nfs/dbraw/zinc/97/54/70/345975470.db2.gz IVDRJZAONHOJNY-LBPRGKRZSA-N 0 3 248.395 3.150 20 0 BGADHN C[C@H](Cc1ccsc1)N(C)Cc1cccn1C ZINC000093705863 345975294 /nfs/dbraw/zinc/97/52/94/345975294.db2.gz IVDRJZAONHOJNY-GFCCVEGCSA-N 0 3 248.395 3.150 20 0 BGADHN CC(C)C[C@@H]1CCCN(Cc2cncs2)C1 ZINC000093716450 360273312 /nfs/dbraw/zinc/27/33/12/360273312.db2.gz UAIUXLBKOJRRFH-LBPRGKRZSA-N 0 3 238.400 3.401 20 0 BGADHN CC(C)C[C@H]1CCCN(Cc2cncs2)C1 ZINC000093716451 360273369 /nfs/dbraw/zinc/27/33/69/360273369.db2.gz UAIUXLBKOJRRFH-GFCCVEGCSA-N 0 3 238.400 3.401 20 0 BGADHN CCn1cc(CN2CCC[C@H](CC(C)C)C2)cn1 ZINC000093716452 360273384 /nfs/dbraw/zinc/27/33/84/360273384.db2.gz CFKSMARHNIYULN-CQSZACIVSA-N 0 3 249.402 3.161 20 0 BGADHN CCn1cc(CN2CCC[C@@H](CC(C)C)C2)cn1 ZINC000093716453 360273044 /nfs/dbraw/zinc/27/30/44/360273044.db2.gz CFKSMARHNIYULN-AWEZNQCLSA-N 0 3 249.402 3.161 20 0 BGADHN c1ncc(CN2CCCC3(C2)CCCCCC3)[nH]1 ZINC000093755885 360275026 /nfs/dbraw/zinc/27/50/26/360275026.db2.gz ARXCENHTWNGEGD-UHFFFAOYSA-N 0 3 247.386 3.346 20 0 BGADHN c1nc(CN2CCCC3(C2)CCCCCC3)c[nH]1 ZINC000093755885 360275020 /nfs/dbraw/zinc/27/50/20/360275020.db2.gz ARXCENHTWNGEGD-UHFFFAOYSA-N 0 3 247.386 3.346 20 0 BGADHN CCc1ccc(CN2CCC[C@@H]2CSC)o1 ZINC000093761077 360274809 /nfs/dbraw/zinc/27/48/09/360274809.db2.gz AIKWDLCEVIGACA-LLVKDONJSA-N 0 3 239.384 3.169 20 0 BGADHN CCc1ccc(CN2CCC[C@H]2CSC)o1 ZINC000093761078 360274435 /nfs/dbraw/zinc/27/44/35/360274435.db2.gz AIKWDLCEVIGACA-NSHDSACASA-N 0 3 239.384 3.169 20 0 BGADHN CSC[C@@H]1CCCN1Cc1ccsc1 ZINC000093761567 384268735 /nfs/dbraw/zinc/26/87/35/384268735.db2.gz RCCYTMIGEALRIN-NSHDSACASA-N 0 3 227.398 3.076 20 0 BGADHN CSC[C@H]1CCCN1Cc1ccsc1 ZINC000093761569 384269774 /nfs/dbraw/zinc/26/97/74/384269774.db2.gz RCCYTMIGEALRIN-LLVKDONJSA-N 0 3 227.398 3.076 20 0 BGADHN Cc1cccc(CN(C)CCOCC2CC2)c1C ZINC000093818551 360279850 /nfs/dbraw/zinc/27/98/50/360279850.db2.gz DKSZUTUZGZPUHS-UHFFFAOYSA-N 0 3 247.382 3.162 20 0 BGADHN CCC(CC)N(Cc1cc[nH]n1)CC(C)C ZINC000093844733 360282893 /nfs/dbraw/zinc/28/28/93/360282893.db2.gz AYZPIZLAWISFAZ-UHFFFAOYSA-N 0 3 223.364 3.056 20 0 BGADHN CC[C@@H](C)CN(CC)Cc1ccc(COC)o1 ZINC000093844881 344322520 /nfs/dbraw/zinc/32/25/20/344322520.db2.gz ANNTXWHYCKEYSW-GFCCVEGCSA-N 0 3 239.359 3.294 20 0 BGADHN CC[C@H](C)CN(CC)Cc1ccc(COC)o1 ZINC000093844882 345666774 /nfs/dbraw/zinc/66/67/74/345666774.db2.gz ANNTXWHYCKEYSW-LBPRGKRZSA-N 0 3 239.359 3.294 20 0 BGADHN CC[C@@H](C)CN(CC)Cc1cncs1 ZINC000093844889 360282150 /nfs/dbraw/zinc/28/21/50/360282150.db2.gz NVVQUVKCSFDZTL-SNVBAGLBSA-N 0 3 212.362 3.011 20 0 BGADHN CC[C@H](C)CN(CC)Cc1cncs1 ZINC000093844890 360283133 /nfs/dbraw/zinc/28/31/33/360283133.db2.gz NVVQUVKCSFDZTL-JTQLQIEISA-N 0 3 212.362 3.011 20 0 BGADHN CC[C@@H](C)CN(CC)Cc1scnc1C ZINC000093844999 384277106 /nfs/dbraw/zinc/27/71/06/384277106.db2.gz AMMDJEIVPYWXFW-SNVBAGLBSA-N 0 3 226.389 3.320 20 0 BGADHN CC[C@H](C)CN(CC)Cc1scnc1C ZINC000093845000 171277576 /nfs/dbraw/zinc/27/75/76/171277576.db2.gz AMMDJEIVPYWXFW-JTQLQIEISA-N 0 3 226.389 3.320 20 0 BGADHN CCn1cc(CN2CCC[C@@H]2CCC(C)C)cn1 ZINC000093845043 360282349 /nfs/dbraw/zinc/28/23/49/360282349.db2.gz WNYRODRUCCLMIV-OAHLLOKOSA-N 0 3 249.402 3.304 20 0 BGADHN CCn1cc(CN2CCC[C@H]2CCC(C)C)cn1 ZINC000093845044 360283046 /nfs/dbraw/zinc/28/30/46/360283046.db2.gz WNYRODRUCCLMIV-HNNXBMFYSA-N 0 3 249.402 3.304 20 0 BGADHN C[C@@H]1CN(Cc2ccn(C)c2)[C@@H]1c1ccccc1 ZINC000093867470 344323289 /nfs/dbraw/zinc/32/32/89/344323289.db2.gz GZFAXNFYARQBQK-CJNGLKHVSA-N 0 3 240.350 3.218 20 0 BGADHN C[C@H]1CN(Cc2ccn(C)c2)[C@@H]1c1ccccc1 ZINC000093867471 345666288 /nfs/dbraw/zinc/66/62/88/345666288.db2.gz GZFAXNFYARQBQK-BBRMVZONSA-N 0 3 240.350 3.218 20 0 BGADHN C[C@@H]1CN(CC2=CCCOC2)[C@@H]1c1ccccc1 ZINC000093867568 176284966 /nfs/dbraw/zinc/28/49/66/176284966.db2.gz YSVWCFDKIHYZLW-CJNGLKHVSA-N 0 3 243.350 3.026 20 0 BGADHN C[C@H]1CN(CC2=CCCOC2)[C@@H]1c1ccccc1 ZINC000093867569 177245246 /nfs/dbraw/zinc/24/52/46/177245246.db2.gz YSVWCFDKIHYZLW-BBRMVZONSA-N 0 3 243.350 3.026 20 0 BGADHN C[C@@H]1CN(Cc2cccn2C)[C@@H]1c1ccccc1 ZINC000093867607 176307620 /nfs/dbraw/zinc/30/76/20/176307620.db2.gz AXSMIUVVHGTZKI-CJNGLKHVSA-N 0 3 240.350 3.218 20 0 BGADHN C[C@H]1CN(Cc2cccn2C)[C@@H]1c1ccccc1 ZINC000093867608 177266908 /nfs/dbraw/zinc/26/69/08/177266908.db2.gz AXSMIUVVHGTZKI-BBRMVZONSA-N 0 3 240.350 3.218 20 0 BGADHN CCS[C@@H]1CC[C@H](N(C)Cc2ccco2)C1 ZINC000093868487 360284512 /nfs/dbraw/zinc/28/45/12/360284512.db2.gz NMQXHOTUPLEHKE-WCQYABFASA-N 0 3 239.384 3.386 20 0 BGADHN CCS[C@H]1CC[C@H](N(C)Cc2ccco2)C1 ZINC000093868488 360284611 /nfs/dbraw/zinc/28/46/11/360284611.db2.gz NMQXHOTUPLEHKE-AAEUAGOBSA-N 0 3 239.384 3.386 20 0 BGADHN CCS[C@@H]1CC[C@@H](N(C)Cc2ccco2)C1 ZINC000093868489 135607173 /nfs/dbraw/zinc/60/71/73/135607173.db2.gz NMQXHOTUPLEHKE-DGCLKSJQSA-N 0 3 239.384 3.386 20 0 BGADHN CCS[C@H]1CC[C@@H](N(C)Cc2ccco2)C1 ZINC000093868490 360284793 /nfs/dbraw/zinc/28/47/93/360284793.db2.gz NMQXHOTUPLEHKE-YPMHNXCESA-N 0 3 239.384 3.386 20 0 BGADHN CC(C)[C@@H]1CN(Cc2cccs2)CCS1 ZINC000093869147 360284656 /nfs/dbraw/zinc/28/46/56/360284656.db2.gz NXHHHYHGUNCECL-LBPRGKRZSA-N 0 3 241.425 3.322 20 0 BGADHN CC(C)[C@H]1CN(Cc2cccs2)CCS1 ZINC000093869148 360285020 /nfs/dbraw/zinc/28/50/20/360285020.db2.gz NXHHHYHGUNCECL-GFCCVEGCSA-N 0 3 241.425 3.322 20 0 BGADHN Cc1ccc(CN2CCS[C@H](C(C)C)C2)o1 ZINC000093869149 360285030 /nfs/dbraw/zinc/28/50/30/360285030.db2.gz UAXBKIFDBWAEJF-ZDUSSCGKSA-N 0 3 239.384 3.161 20 0 BGADHN Cc1ccc(CN2CCS[C@@H](C(C)C)C2)o1 ZINC000093869150 360284714 /nfs/dbraw/zinc/28/47/14/360284714.db2.gz UAXBKIFDBWAEJF-CYBMUJFWSA-N 0 3 239.384 3.161 20 0 BGADHN Cc1ccoc1CN1CCS[C@H](C(C)C)C1 ZINC000093869269 360284683 /nfs/dbraw/zinc/28/46/83/360284683.db2.gz XBLFELFNJSJPBE-ZDUSSCGKSA-N 0 3 239.384 3.161 20 0 BGADHN Cc1ccoc1CN1CCS[C@@H](C(C)C)C1 ZINC000093869270 345666795 /nfs/dbraw/zinc/66/67/95/345666795.db2.gz XBLFELFNJSJPBE-CYBMUJFWSA-N 0 3 239.384 3.161 20 0 BGADHN CC(C)[C@@H]1CN(Cc2ccsc2)CCS1 ZINC000093869347 360284332 /nfs/dbraw/zinc/28/43/32/360284332.db2.gz ZYWPOSOEGKTLSA-LBPRGKRZSA-N 0 3 241.425 3.322 20 0 BGADHN CC(C)[C@H]1CN(Cc2ccsc2)CCS1 ZINC000093869348 360284918 /nfs/dbraw/zinc/28/49/18/360284918.db2.gz ZYWPOSOEGKTLSA-GFCCVEGCSA-N 0 3 241.425 3.322 20 0 BGADHN CCSCC[C@@H](C)N(C)Cc1ccco1 ZINC000093870838 384278005 /nfs/dbraw/zinc/27/80/05/384278005.db2.gz INUAQWLQBYORIV-LLVKDONJSA-N 0 3 227.373 3.243 20 0 BGADHN CCSCC[C@H](C)N(C)Cc1ccco1 ZINC000093870839 384275645 /nfs/dbraw/zinc/27/56/45/384275645.db2.gz INUAQWLQBYORIV-NSHDSACASA-N 0 3 227.373 3.243 20 0 BGADHN CCSCC[C@@H](C)N(C)Cc1cncs1 ZINC000093870882 384276101 /nfs/dbraw/zinc/27/61/01/384276101.db2.gz OGJCQDUMMRROGV-SNVBAGLBSA-N 0 3 244.429 3.107 20 0 BGADHN CCSCC[C@H](C)N(C)Cc1cncs1 ZINC000093870883 384278039 /nfs/dbraw/zinc/27/80/39/384278039.db2.gz OGJCQDUMMRROGV-JTQLQIEISA-N 0 3 244.429 3.107 20 0 BGADHN CCSCC[C@@H](C)N(C)Cc1ccoc1 ZINC000093871040 635132781 /nfs/dbraw/zinc/13/27/81/635132781.db2.gz FALRPYPTWKFUHZ-LLVKDONJSA-N 0 3 227.373 3.243 20 0 BGADHN CCSCC[C@H](C)N(C)Cc1ccoc1 ZINC000093871041 635132160 /nfs/dbraw/zinc/13/21/60/635132160.db2.gz FALRPYPTWKFUHZ-NSHDSACASA-N 0 3 227.373 3.243 20 0 BGADHN CN(Cn1nc(Cl)c2ccccc21)C1CCC1 ZINC000093912089 644701642 /nfs/dbraw/zinc/70/16/42/644701642.db2.gz ORSIGZKVXXKKBO-UHFFFAOYSA-N 0 3 249.745 3.132 20 0 BGADHN COc1cc(F)cc(CNCc2ccccc2)c1 ZINC000093970575 345669238 /nfs/dbraw/zinc/66/92/38/345669238.db2.gz VTRSJLJKDXUVHK-UHFFFAOYSA-N 0 3 245.297 3.124 20 0 BGADHN CC1(CNCc2ccco2)Cc2ccccc2C1 ZINC000093971177 360292449 /nfs/dbraw/zinc/29/24/49/360292449.db2.gz YFPPPLGTAJGBHZ-UHFFFAOYSA-N 0 3 241.334 3.174 20 0 BGADHN CCCN[C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000094047749 169280363 /nfs/dbraw/zinc/28/03/63/169280363.db2.gz PYSCBEPNBKPORG-HNNXBMFYSA-N 0 3 244.313 3.310 20 0 BGADHN CCCN[C@H](c1ccccc1)c1ccc(F)cn1 ZINC000094047750 169290910 /nfs/dbraw/zinc/29/09/10/169290910.db2.gz PYSCBEPNBKPORG-OAHLLOKOSA-N 0 3 244.313 3.310 20 0 BGADHN Nc1ccc2c(c1)CC[C@H]2NCc1ccccc1 ZINC000094073942 344325456 /nfs/dbraw/zinc/32/54/56/344325456.db2.gz LAXCFHMSIWHQKK-MRXNPFEDSA-N 0 3 238.334 3.046 20 0 BGADHN Nc1ccc2c(c1)CC[C@@H]2NCc1ccccc1 ZINC000094073944 344325546 /nfs/dbraw/zinc/32/55/46/344325546.db2.gz LAXCFHMSIWHQKK-INIZCTEOSA-N 0 3 238.334 3.046 20 0 BGADHN Nc1ccc2c(c1)CC[C@H]2NCc1cccs1 ZINC000094075090 344325708 /nfs/dbraw/zinc/32/57/08/344325708.db2.gz VYDSZMMEDSRSIE-CQSZACIVSA-N 0 3 244.363 3.107 20 0 BGADHN Nc1ccc2c(c1)CC[C@@H]2NCc1cccs1 ZINC000094075091 344325693 /nfs/dbraw/zinc/32/56/93/344325693.db2.gz VYDSZMMEDSRSIE-AWEZNQCLSA-N 0 3 244.363 3.107 20 0 BGADHN Nc1ccc2c(c1)CC[C@@H]2NCc1ccsc1 ZINC000094088980 344325976 /nfs/dbraw/zinc/32/59/76/344325976.db2.gz QQVCTLWBTQWOFF-AWEZNQCLSA-N 0 3 244.363 3.107 20 0 BGADHN Nc1ccc2c(c1)CC[C@H]2NCc1ccsc1 ZINC000094088982 344325792 /nfs/dbraw/zinc/32/57/92/344325792.db2.gz QQVCTLWBTQWOFF-CQSZACIVSA-N 0 3 244.363 3.107 20 0 BGADHN Cc1ccccc1CCN[C@@H](C)c1ccco1 ZINC000094182671 323188575 /nfs/dbraw/zinc/18/85/75/323188575.db2.gz VFQSVIBYKIJSRO-ZDUSSCGKSA-N 0 3 229.323 3.481 20 0 BGADHN Cc1ccccc1CCN[C@H](C)c1ccco1 ZINC000094182672 323188607 /nfs/dbraw/zinc/18/86/07/323188607.db2.gz VFQSVIBYKIJSRO-CYBMUJFWSA-N 0 3 229.323 3.481 20 0 BGADHN CCc1ccc(CNCCc2ccccc2C)o1 ZINC000094182851 323188611 /nfs/dbraw/zinc/18/86/11/323188611.db2.gz IXYPAKFIWLHSDD-UHFFFAOYSA-N 0 3 243.350 3.483 20 0 BGADHN Cc1ccccc1CCN[C@@H](C)c1nccs1 ZINC000094182919 179267539 /nfs/dbraw/zinc/26/75/39/179267539.db2.gz KEBNTWBMXKQCMY-LBPRGKRZSA-N 0 3 246.379 3.345 20 0 BGADHN Cc1ccccc1CCN[C@H](C)c1nccs1 ZINC000094182920 179267743 /nfs/dbraw/zinc/26/77/43/179267743.db2.gz KEBNTWBMXKQCMY-GFCCVEGCSA-N 0 3 246.379 3.345 20 0 BGADHN Cc1ccccc1CCN[C@@H](C)c1ccccn1 ZINC000094182984 179267502 /nfs/dbraw/zinc/26/75/02/179267502.db2.gz KQRFFLYTAUZIDZ-AWEZNQCLSA-N 0 3 240.350 3.283 20 0 BGADHN Cc1ccccc1CCN[C@H](C)c1ccccn1 ZINC000094182985 179267244 /nfs/dbraw/zinc/26/72/44/179267244.db2.gz KQRFFLYTAUZIDZ-CQSZACIVSA-N 0 3 240.350 3.283 20 0 BGADHN CC1(C)CCC[C@@H]1NCc1cn2ccccc2n1 ZINC000094266140 167908978 /nfs/dbraw/zinc/90/89/78/167908978.db2.gz CUESFEJEMRNLEE-ZDUSSCGKSA-N 0 3 243.354 3.003 20 0 BGADHN CC1(C)CCC[C@H]1NCc1cn2ccccc2n1 ZINC000094266141 344327440 /nfs/dbraw/zinc/32/74/40/344327440.db2.gz CUESFEJEMRNLEE-CYBMUJFWSA-N 0 3 243.354 3.003 20 0 BGADHN COc1ncccc1CN[C@H]1CCCCC1(C)C ZINC000094278189 322977387 /nfs/dbraw/zinc/97/73/87/322977387.db2.gz CUOTXUHPJDYRMF-ZDUSSCGKSA-N 0 3 248.370 3.149 20 0 BGADHN COc1ncccc1CN[C@@H]1CCCCC1(C)C ZINC000094278190 384982669 /nfs/dbraw/zinc/98/26/69/384982669.db2.gz CUOTXUHPJDYRMF-CYBMUJFWSA-N 0 3 248.370 3.149 20 0 BGADHN Cc1noc(C)c1CN[C@@H]1CCCCC1(C)C ZINC000094279930 386450296 /nfs/dbraw/zinc/45/02/96/386450296.db2.gz PNSKJWWFEHCGEU-CYBMUJFWSA-N 0 3 236.359 3.350 20 0 BGADHN Cc1noc(C)c1CN[C@H]1CCCCC1(C)C ZINC000094279931 386451002 /nfs/dbraw/zinc/45/10/02/386451002.db2.gz PNSKJWWFEHCGEU-ZDUSSCGKSA-N 0 3 236.359 3.350 20 0 BGADHN C[C@H](N[C@@H]1CCCCC1(C)C)c1cnccn1 ZINC000094323377 384298547 /nfs/dbraw/zinc/29/85/47/384298547.db2.gz BLQXUUWAPLTIPF-WCQYABFASA-N 0 3 233.359 3.096 20 0 BGADHN C[C@@H](N[C@@H]1CCCCC1(C)C)c1cnccn1 ZINC000094323378 384299148 /nfs/dbraw/zinc/29/91/48/384299148.db2.gz BLQXUUWAPLTIPF-DGCLKSJQSA-N 0 3 233.359 3.096 20 0 BGADHN C[C@H](N[C@H]1CCCCC1(C)C)c1cnccn1 ZINC000094323379 176920025 /nfs/dbraw/zinc/92/00/25/176920025.db2.gz BLQXUUWAPLTIPF-AAEUAGOBSA-N 0 3 233.359 3.096 20 0 BGADHN C[C@@H](N[C@H]1CCCCC1(C)C)c1cnccn1 ZINC000094323380 384298699 /nfs/dbraw/zinc/29/86/99/384298699.db2.gz BLQXUUWAPLTIPF-YPMHNXCESA-N 0 3 233.359 3.096 20 0 BGADHN C[C@H](N[C@@H]1CCCCC1(C)C)c1nccn1C ZINC000094323499 384298405 /nfs/dbraw/zinc/29/84/05/384298405.db2.gz ONWIYPWDWAQPJO-NWDGAFQWSA-N 0 3 235.375 3.040 20 0 BGADHN C[C@@H](N[C@@H]1CCCCC1(C)C)c1nccn1C ZINC000094323500 135612662 /nfs/dbraw/zinc/61/26/62/135612662.db2.gz ONWIYPWDWAQPJO-VXGBXAGGSA-N 0 3 235.375 3.040 20 0 BGADHN C[C@H](N[C@H]1CCCCC1(C)C)c1nccn1C ZINC000094323501 360304210 /nfs/dbraw/zinc/30/42/10/360304210.db2.gz ONWIYPWDWAQPJO-RYUDHWBXSA-N 0 3 235.375 3.040 20 0 BGADHN C[C@@H](N[C@H]1CCCCC1(C)C)c1nccn1C ZINC000094323502 360304230 /nfs/dbraw/zinc/30/42/30/360304230.db2.gz ONWIYPWDWAQPJO-NEPJUHHUSA-N 0 3 235.375 3.040 20 0 BGADHN CC(C)n1ccc(CN[C@@H]2CCCC2(C)C)n1 ZINC000094324676 360304029 /nfs/dbraw/zinc/30/40/29/360304029.db2.gz HUKWIEARMYJPKX-CYBMUJFWSA-N 0 3 235.375 3.132 20 0 BGADHN CC(C)n1ccc(CN[C@H]2CCCC2(C)C)n1 ZINC000094324677 360304115 /nfs/dbraw/zinc/30/41/15/360304115.db2.gz HUKWIEARMYJPKX-ZDUSSCGKSA-N 0 3 235.375 3.132 20 0 BGADHN c1ccc(C2CC2)c(CNCc2cccnc2)c1 ZINC000094357515 537836913 /nfs/dbraw/zinc/83/69/13/537836913.db2.gz DPAOBCLCGODZHA-UHFFFAOYSA-N 0 3 238.334 3.249 20 0 BGADHN CCCCOCCNCc1ccccc1C1CC1 ZINC000094357831 537838620 /nfs/dbraw/zinc/83/86/20/537838620.db2.gz HTXBHDNZOBGSRW-UHFFFAOYSA-N 0 3 247.382 3.470 20 0 BGADHN CCOC[C@H](C)NCc1ccccc1C1CC1 ZINC000094357879 537838674 /nfs/dbraw/zinc/83/86/74/537838674.db2.gz STWDRPAZOMOJRA-LBPRGKRZSA-N 0 3 233.355 3.079 20 0 BGADHN Fc1ccccc1CN[C@@H]1CCOC2(CCC2)C1 ZINC000094366294 181012479 /nfs/dbraw/zinc/01/24/79/181012479.db2.gz HRTWHCBOZOORBJ-CYBMUJFWSA-N 0 3 249.329 3.017 20 0 BGADHN Fc1ccccc1CN[C@H]1CCOC2(CCC2)C1 ZINC000094366295 181012456 /nfs/dbraw/zinc/01/24/56/181012456.db2.gz HRTWHCBOZOORBJ-ZDUSSCGKSA-N 0 3 249.329 3.017 20 0 BGADHN c1coc(CN[C@@H]2CCOC3(CCCCC3)C2)c1 ZINC000094366794 188318974 /nfs/dbraw/zinc/31/89/74/188318974.db2.gz WQCXFBNEGFIHAF-CYBMUJFWSA-N 0 3 249.354 3.251 20 0 BGADHN c1coc(CN[C@H]2CCOC3(CCCCC3)C2)c1 ZINC000094366795 188318982 /nfs/dbraw/zinc/31/89/82/188318982.db2.gz WQCXFBNEGFIHAF-ZDUSSCGKSA-N 0 3 249.354 3.251 20 0 BGADHN C[C@H](N[C@@H]1CCOC2(CCC2)C1)c1ccco1 ZINC000094367742 384298489 /nfs/dbraw/zinc/29/84/89/384298489.db2.gz KCTFVUAXPVLBQM-NWDGAFQWSA-N 0 3 235.327 3.032 20 0 BGADHN C[C@@H](N[C@@H]1CCOC2(CCC2)C1)c1ccco1 ZINC000094367743 384298006 /nfs/dbraw/zinc/29/80/06/384298006.db2.gz KCTFVUAXPVLBQM-VXGBXAGGSA-N 0 3 235.327 3.032 20 0 BGADHN C[C@H](N[C@H]1CCOC2(CCC2)C1)c1ccco1 ZINC000094367744 384298183 /nfs/dbraw/zinc/29/81/83/384298183.db2.gz KCTFVUAXPVLBQM-RYUDHWBXSA-N 0 3 235.327 3.032 20 0 BGADHN C[C@@H](N[C@H]1CCOC2(CCC2)C1)c1ccco1 ZINC000094367745 175926312 /nfs/dbraw/zinc/92/63/12/175926312.db2.gz KCTFVUAXPVLBQM-NEPJUHHUSA-N 0 3 235.327 3.032 20 0 BGADHN C[C@H](N[C@@H]1CCOC2(CCCC2)C1)c1ccco1 ZINC000094367746 386449712 /nfs/dbraw/zinc/44/97/12/386449712.db2.gz XBJYFRFOXAHZJX-QWHCGFSZSA-N 0 3 249.354 3.422 20 0 BGADHN C[C@@H](N[C@@H]1CCOC2(CCCC2)C1)c1ccco1 ZINC000094367747 386449743 /nfs/dbraw/zinc/44/97/43/386449743.db2.gz XBJYFRFOXAHZJX-CHWSQXEVSA-N 0 3 249.354 3.422 20 0 BGADHN C[C@H](N[C@H]1CCOC2(CCCC2)C1)c1ccco1 ZINC000094367748 386449833 /nfs/dbraw/zinc/44/98/33/386449833.db2.gz XBJYFRFOXAHZJX-STQMWFEESA-N 0 3 249.354 3.422 20 0 BGADHN C[C@@H](N[C@H]1CCOC2(CCCC2)C1)c1ccco1 ZINC000094367749 386451478 /nfs/dbraw/zinc/45/14/78/386451478.db2.gz XBJYFRFOXAHZJX-OLZOCXBDSA-N 0 3 249.354 3.422 20 0 BGADHN Cc1ccc([C@@H](C)N[C@@H]2CCOC3(CCC3)C2)o1 ZINC000094368954 384298247 /nfs/dbraw/zinc/29/82/47/384298247.db2.gz LQOZJWLMRZEHML-CHWSQXEVSA-N 0 3 249.354 3.340 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H]2CCOC3(CCC3)C2)o1 ZINC000094368955 178897304 /nfs/dbraw/zinc/89/73/04/178897304.db2.gz LQOZJWLMRZEHML-QWHCGFSZSA-N 0 3 249.354 3.340 20 0 BGADHN Cc1ccc([C@@H](C)N[C@H]2CCOC3(CCC3)C2)o1 ZINC000094368956 384297458 /nfs/dbraw/zinc/29/74/58/384297458.db2.gz LQOZJWLMRZEHML-OLZOCXBDSA-N 0 3 249.354 3.340 20 0 BGADHN Cc1ccc([C@H](C)N[C@H]2CCOC3(CCC3)C2)o1 ZINC000094368957 384298914 /nfs/dbraw/zinc/29/89/14/384298914.db2.gz LQOZJWLMRZEHML-STQMWFEESA-N 0 3 249.354 3.340 20 0 BGADHN Cc1ccc(CN[C@@H]2CCOC3(CCCC3)C2)o1 ZINC000094371930 384299005 /nfs/dbraw/zinc/29/90/05/384299005.db2.gz HZKIOUYUSQXSNS-CYBMUJFWSA-N 0 3 249.354 3.169 20 0 BGADHN Cc1ccc(CN[C@H]2CCOC3(CCCC3)C2)o1 ZINC000094371931 384299035 /nfs/dbraw/zinc/29/90/35/384299035.db2.gz HZKIOUYUSQXSNS-ZDUSSCGKSA-N 0 3 249.354 3.169 20 0 BGADHN C[C@H](N[C@@H]1CC(C)(C)OC1(C)C)c1ccncc1 ZINC000094422611 384299635 /nfs/dbraw/zinc/29/96/35/384299635.db2.gz YYMQGCSEGLYBNG-WCQYABFASA-N 0 3 248.370 3.078 20 0 BGADHN C[C@@H](N[C@@H]1CC(C)(C)OC1(C)C)c1ccncc1 ZINC000094422612 384300769 /nfs/dbraw/zinc/30/07/69/384300769.db2.gz YYMQGCSEGLYBNG-DGCLKSJQSA-N 0 3 248.370 3.078 20 0 BGADHN C[C@H](N[C@H]1CC(C)(C)OC1(C)C)c1ccncc1 ZINC000094422613 384300460 /nfs/dbraw/zinc/30/04/60/384300460.db2.gz YYMQGCSEGLYBNG-AAEUAGOBSA-N 0 3 248.370 3.078 20 0 BGADHN C[C@@H](N[C@H]1CC(C)(C)OC1(C)C)c1ccncc1 ZINC000094422614 384300207 /nfs/dbraw/zinc/30/02/07/384300207.db2.gz YYMQGCSEGLYBNG-YPMHNXCESA-N 0 3 248.370 3.078 20 0 BGADHN C[C@H](N[C@@H]1CC(C)(C)OC1(C)C)c1ccccn1 ZINC000094422643 384302472 /nfs/dbraw/zinc/30/24/72/384302472.db2.gz LANQWDHIIYENHG-WCQYABFASA-N 0 3 248.370 3.078 20 0 BGADHN C[C@@H](N[C@@H]1CC(C)(C)OC1(C)C)c1ccccn1 ZINC000094422644 384302562 /nfs/dbraw/zinc/30/25/62/384302562.db2.gz LANQWDHIIYENHG-DGCLKSJQSA-N 0 3 248.370 3.078 20 0 BGADHN C[C@H](N[C@H]1CC(C)(C)OC1(C)C)c1ccccn1 ZINC000094422645 384299768 /nfs/dbraw/zinc/29/97/68/384299768.db2.gz LANQWDHIIYENHG-AAEUAGOBSA-N 0 3 248.370 3.078 20 0 BGADHN C[C@@H](N[C@H]1CC(C)(C)OC1(C)C)c1ccccn1 ZINC000094422646 384302191 /nfs/dbraw/zinc/30/21/91/384302191.db2.gz LANQWDHIIYENHG-YPMHNXCESA-N 0 3 248.370 3.078 20 0 BGADHN C[C@H](N[C@@H]1CC(C)(C)OC1(C)C)c1cccnc1 ZINC000094422705 384300129 /nfs/dbraw/zinc/30/01/29/384300129.db2.gz NIVXZFZZZMMHQF-WCQYABFASA-N 0 3 248.370 3.078 20 0 BGADHN C[C@@H](N[C@@H]1CC(C)(C)OC1(C)C)c1cccnc1 ZINC000094422706 384300381 /nfs/dbraw/zinc/30/03/81/384300381.db2.gz NIVXZFZZZMMHQF-DGCLKSJQSA-N 0 3 248.370 3.078 20 0 BGADHN C[C@H](N[C@H]1CC(C)(C)OC1(C)C)c1cccnc1 ZINC000094422707 384301800 /nfs/dbraw/zinc/30/18/00/384301800.db2.gz NIVXZFZZZMMHQF-AAEUAGOBSA-N 0 3 248.370 3.078 20 0 BGADHN C[C@@H](N[C@H]1CC(C)(C)OC1(C)C)c1cccnc1 ZINC000094422708 384301318 /nfs/dbraw/zinc/30/13/18/384301318.db2.gz NIVXZFZZZMMHQF-YPMHNXCESA-N 0 3 248.370 3.078 20 0 BGADHN C[C@H](N[C@@H]1CC(C)(C)OC1(C)C)c1ccco1 ZINC000094422973 384301786 /nfs/dbraw/zinc/30/17/86/384301786.db2.gz RVXZGPFAACMAQD-CMPLNLGQSA-N 0 3 237.343 3.276 20 0 BGADHN C[C@@H](N[C@@H]1CC(C)(C)OC1(C)C)c1ccco1 ZINC000094422974 384301299 /nfs/dbraw/zinc/30/12/99/384301299.db2.gz RVXZGPFAACMAQD-ZYHUDNBSSA-N 0 3 237.343 3.276 20 0 BGADHN C[C@H](N[C@H]1CC(C)(C)OC1(C)C)c1ccco1 ZINC000094422975 384299678 /nfs/dbraw/zinc/29/96/78/384299678.db2.gz RVXZGPFAACMAQD-JQWIXIFHSA-N 0 3 237.343 3.276 20 0 BGADHN C[C@@H](N[C@H]1CC(C)(C)OC1(C)C)c1ccco1 ZINC000094422976 384300254 /nfs/dbraw/zinc/30/02/54/384300254.db2.gz RVXZGPFAACMAQD-PWSUYJOCSA-N 0 3 237.343 3.276 20 0 BGADHN Cc1ccc(CN[C@@H]2CC(C)(C)OC2(C)C)o1 ZINC000094424327 360307353 /nfs/dbraw/zinc/30/73/53/360307353.db2.gz SLLFEQNSWPPLBP-GFCCVEGCSA-N 0 3 237.343 3.024 20 0 BGADHN Cc1ccc(CN[C@H]2CC(C)(C)OC2(C)C)o1 ZINC000094424328 360307608 /nfs/dbraw/zinc/30/76/08/360307608.db2.gz SLLFEQNSWPPLBP-LBPRGKRZSA-N 0 3 237.343 3.024 20 0 BGADHN c1cc(CNCc2ccc(C3CC3)cc2)ccn1 ZINC000094518092 360309904 /nfs/dbraw/zinc/30/99/04/360309904.db2.gz OVIYGZUVWPZTSV-UHFFFAOYSA-N 0 3 238.334 3.249 20 0 BGADHN c1cncc(CNCc2cccc(C3CC3)c2)c1 ZINC000094518094 360310078 /nfs/dbraw/zinc/31/00/78/360310078.db2.gz ONHNBLHKIBMDHG-UHFFFAOYSA-N 0 3 238.334 3.249 20 0 BGADHN c1cncc(CNCc2ccc(C3CC3)cc2)c1 ZINC000094518095 135615287 /nfs/dbraw/zinc/61/52/87/135615287.db2.gz ZOEWACPCMSGJFK-UHFFFAOYSA-N 0 3 238.334 3.249 20 0 BGADHN CCOC[C@H](C)NCc1cccc(C2CC2)c1 ZINC000094519543 398301143 /nfs/dbraw/zinc/30/11/43/398301143.db2.gz NFJPXDLGSIKZNG-LBPRGKRZSA-N 0 3 233.355 3.079 20 0 BGADHN CCOC[C@@H](C)NCc1ccc(C2CC2)cc1 ZINC000094519544 360312055 /nfs/dbraw/zinc/31/20/55/360312055.db2.gz BCBKERHHJTUGER-GFCCVEGCSA-N 0 3 233.355 3.079 20 0 BGADHN CCOC[C@H](C)NCc1ccc(C2CC2)cc1 ZINC000094519545 360311118 /nfs/dbraw/zinc/31/11/18/360311118.db2.gz BCBKERHHJTUGER-LBPRGKRZSA-N 0 3 233.355 3.079 20 0 BGADHN C[C@H](NCC1(C)COC1)c1cc2ccccc2o1 ZINC000094721848 384310264 /nfs/dbraw/zinc/31/02/64/384310264.db2.gz AMDLNVXLJBUSTL-NSHDSACASA-N 0 3 245.322 3.120 20 0 BGADHN C[C@@H](NCC1(C)COC1)c1cc2ccccc2o1 ZINC000094721849 384310877 /nfs/dbraw/zinc/31/08/77/384310877.db2.gz AMDLNVXLJBUSTL-LLVKDONJSA-N 0 3 245.322 3.120 20 0 BGADHN C[C@H](NC[C@]1(C)CCCO1)c1ccccc1F ZINC000094797376 360318169 /nfs/dbraw/zinc/31/81/69/360318169.db2.gz NFZUQPLDYJFSLV-FZMZJTMJSA-N 0 3 237.318 3.045 20 0 BGADHN C[C@@H](NC[C@]1(C)CCCO1)c1ccccc1F ZINC000094797377 360318403 /nfs/dbraw/zinc/31/84/03/360318403.db2.gz NFZUQPLDYJFSLV-RISCZKNCSA-N 0 3 237.318 3.045 20 0 BGADHN C[C@H](NC[C@@]1(C)CCCO1)c1ccccc1F ZINC000094797378 360318376 /nfs/dbraw/zinc/31/83/76/360318376.db2.gz NFZUQPLDYJFSLV-SMDDNHRTSA-N 0 3 237.318 3.045 20 0 BGADHN C[C@@H](NC[C@@]1(C)CCCO1)c1ccccc1F ZINC000094797379 360318598 /nfs/dbraw/zinc/31/85/98/360318598.db2.gz NFZUQPLDYJFSLV-BXUZGUMPSA-N 0 3 237.318 3.045 20 0 BGADHN C[C@H](NC[C@]1(C)CCCO1)c1cccc(F)c1 ZINC000094797414 360318555 /nfs/dbraw/zinc/31/85/55/360318555.db2.gz NAMXHIXCXJYYFJ-FZMZJTMJSA-N 0 3 237.318 3.045 20 0 BGADHN C[C@@H](NC[C@]1(C)CCCO1)c1cccc(F)c1 ZINC000094797415 360317947 /nfs/dbraw/zinc/31/79/47/360317947.db2.gz NAMXHIXCXJYYFJ-RISCZKNCSA-N 0 3 237.318 3.045 20 0 BGADHN C[C@H](NC[C@@]1(C)CCCO1)c1cccc(F)c1 ZINC000094797416 360318621 /nfs/dbraw/zinc/31/86/21/360318621.db2.gz NAMXHIXCXJYYFJ-SMDDNHRTSA-N 0 3 237.318 3.045 20 0 BGADHN C[C@@H](NC[C@@]1(C)CCCO1)c1cccc(F)c1 ZINC000094797417 360318292 /nfs/dbraw/zinc/31/82/92/360318292.db2.gz NAMXHIXCXJYYFJ-BXUZGUMPSA-N 0 3 237.318 3.045 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CNC[C@]2(C)CCCO2)o1 ZINC000094797806 135617700 /nfs/dbraw/zinc/61/77/00/135617700.db2.gz HXMBYJVRNCUQMJ-ZLDLUXBVSA-N 0 3 249.354 3.062 20 0 BGADHN C[C@@H]1C[C@H]1c1ccc(CNC[C@]2(C)CCCO2)o1 ZINC000094797808 135617374 /nfs/dbraw/zinc/61/73/74/135617374.db2.gz HXMBYJVRNCUQMJ-KYOSRNDESA-N 0 3 249.354 3.062 20 0 BGADHN C[C@]1(CNCc2cc3ccccc3o2)CCCO1 ZINC000094797982 360318230 /nfs/dbraw/zinc/31/82/30/360318230.db2.gz QSQJDVAPBRFSOT-OAHLLOKOSA-N 0 3 245.322 3.092 20 0 BGADHN C[C@@]1(CNCc2cc3ccccc3o2)CCCO1 ZINC000094797983 360318216 /nfs/dbraw/zinc/31/82/16/360318216.db2.gz QSQJDVAPBRFSOT-HNNXBMFYSA-N 0 3 245.322 3.092 20 0 BGADHN Cc1cc([C@@H](C)NC[C@]2(C)CCCO2)c(C)o1 ZINC000094798345 360318127 /nfs/dbraw/zinc/31/81/27/360318127.db2.gz SNMKFLUARQPXRU-RISCZKNCSA-N 0 3 237.343 3.116 20 0 BGADHN Cc1cc([C@H](C)NC[C@]2(C)CCCO2)c(C)o1 ZINC000094798346 360318044 /nfs/dbraw/zinc/31/80/44/360318044.db2.gz SNMKFLUARQPXRU-FZMZJTMJSA-N 0 3 237.343 3.116 20 0 BGADHN Cc1cc([C@@H](C)NC[C@@]2(C)CCCO2)c(C)o1 ZINC000094798347 360318689 /nfs/dbraw/zinc/31/86/89/360318689.db2.gz SNMKFLUARQPXRU-BXUZGUMPSA-N 0 3 237.343 3.116 20 0 BGADHN Cc1cc([C@H](C)NC[C@@]2(C)CCCO2)c(C)o1 ZINC000094798348 360319590 /nfs/dbraw/zinc/31/95/90/360319590.db2.gz SNMKFLUARQPXRU-SMDDNHRTSA-N 0 3 237.343 3.116 20 0 BGADHN CC1(C)CCN(CCC(=O)c2ccc(F)cc2)C1 ZINC000094805926 360320689 /nfs/dbraw/zinc/32/06/89/360320689.db2.gz FRZRURMFIBOCNR-UHFFFAOYSA-N 0 3 249.329 3.130 20 0 BGADHN Cc1ccc(C(=O)CCN2CCC(C)(C)C2)cc1 ZINC000094811072 386957884 /nfs/dbraw/zinc/95/78/84/386957884.db2.gz NURJSAXRAOMXOX-UHFFFAOYSA-N 0 3 245.366 3.300 20 0 BGADHN CCOCCCN[C@@H](C)c1cc(F)cc(F)c1 ZINC000094826107 360321612 /nfs/dbraw/zinc/32/16/12/360321612.db2.gz UNNRZKNVSYAVTR-JTQLQIEISA-N 0 3 243.297 3.042 20 0 BGADHN CCOCCCN[C@H](C)c1cc(F)cc(F)c1 ZINC000094826108 360321501 /nfs/dbraw/zinc/32/15/01/360321501.db2.gz UNNRZKNVSYAVTR-SNVBAGLBSA-N 0 3 243.297 3.042 20 0 BGADHN CCOC[C@H](C)N[C@@H](C)c1cc(F)cc(F)c1 ZINC000094827320 386962201 /nfs/dbraw/zinc/96/22/01/386962201.db2.gz QIEOFDMDPKBDOB-UWVGGRQHSA-N 0 3 243.297 3.040 20 0 BGADHN CCOC[C@H](C)N[C@H](C)c1cc(F)cc(F)c1 ZINC000094827322 386961275 /nfs/dbraw/zinc/96/12/75/386961275.db2.gz QIEOFDMDPKBDOB-VHSXEESVSA-N 0 3 243.297 3.040 20 0 BGADHN CC[C@@H](COC)N[C@@H](C)c1cc(F)cc(F)c1 ZINC000094827627 384316232 /nfs/dbraw/zinc/31/62/32/384316232.db2.gz ONGMFDDEYJUUAZ-ZANVPECISA-N 0 3 243.297 3.040 20 0 BGADHN CC[C@H](COC)N[C@@H](C)c1cc(F)cc(F)c1 ZINC000094827628 384318009 /nfs/dbraw/zinc/31/80/09/384318009.db2.gz ONGMFDDEYJUUAZ-TVQRCGJNSA-N 0 3 243.297 3.040 20 0 BGADHN CC[C@@H](COC)N[C@H](C)c1cc(F)cc(F)c1 ZINC000094827629 384315962 /nfs/dbraw/zinc/31/59/62/384315962.db2.gz ONGMFDDEYJUUAZ-RNCFNFMXSA-N 0 3 243.297 3.040 20 0 BGADHN CC[C@H](COC)N[C@H](C)c1cc(F)cc(F)c1 ZINC000094827630 384317013 /nfs/dbraw/zinc/31/70/13/384317013.db2.gz ONGMFDDEYJUUAZ-NOZJJQNGSA-N 0 3 243.297 3.040 20 0 BGADHN CCOC[C@@H](C)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000094837785 360322682 /nfs/dbraw/zinc/32/26/82/360322682.db2.gz VSCOIGMGAMXIBJ-NEPJUHHUSA-N 0 3 239.334 3.210 20 0 BGADHN CCOC[C@H](C)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000094837786 360322990 /nfs/dbraw/zinc/32/29/90/360322990.db2.gz VSCOIGMGAMXIBJ-RYUDHWBXSA-N 0 3 239.334 3.210 20 0 BGADHN CCOC[C@@H](C)N[C@H](C)c1ccc(C)c(F)c1 ZINC000094837787 360323100 /nfs/dbraw/zinc/32/31/00/360323100.db2.gz VSCOIGMGAMXIBJ-VXGBXAGGSA-N 0 3 239.334 3.210 20 0 BGADHN CCOC[C@H](C)N[C@H](C)c1ccc(C)c(F)c1 ZINC000094837788 360323237 /nfs/dbraw/zinc/32/32/37/360323237.db2.gz VSCOIGMGAMXIBJ-NWDGAFQWSA-N 0 3 239.334 3.210 20 0 BGADHN CC[C@@H](COC)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000094838081 360322745 /nfs/dbraw/zinc/32/27/45/360322745.db2.gz LYPJTJFZBOZLIN-AAEUAGOBSA-N 0 3 239.334 3.210 20 0 BGADHN CC[C@H](COC)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000094838082 360323157 /nfs/dbraw/zinc/32/31/57/360323157.db2.gz LYPJTJFZBOZLIN-WCQYABFASA-N 0 3 239.334 3.210 20 0 BGADHN CC[C@@H](COC)N[C@H](C)c1ccc(C)c(F)c1 ZINC000094838083 360322760 /nfs/dbraw/zinc/32/27/60/360322760.db2.gz LYPJTJFZBOZLIN-YPMHNXCESA-N 0 3 239.334 3.210 20 0 BGADHN CC[C@H](COC)N[C@H](C)c1ccc(C)c(F)c1 ZINC000094838084 360323147 /nfs/dbraw/zinc/32/31/47/360323147.db2.gz LYPJTJFZBOZLIN-DGCLKSJQSA-N 0 3 239.334 3.210 20 0 BGADHN C[C@H](NCCc1ccc(F)cc1)c1ccoc1 ZINC000094867382 384990561 /nfs/dbraw/zinc/99/05/61/384990561.db2.gz IABSFDOGKDUCJX-NSHDSACASA-N 0 3 233.286 3.312 20 0 BGADHN C[C@@H](NCCc1ccc(F)cc1)c1ccoc1 ZINC000094867383 322977690 /nfs/dbraw/zinc/97/76/90/322977690.db2.gz IABSFDOGKDUCJX-LLVKDONJSA-N 0 3 233.286 3.312 20 0 BGADHN COc1ccc(CCN[C@@H](C)c2ccoc2)cc1 ZINC000094867424 322977786 /nfs/dbraw/zinc/97/77/86/322977786.db2.gz GRQSCYGWHSOARE-LBPRGKRZSA-N 0 3 245.322 3.182 20 0 BGADHN COc1ccc(CCN[C@H](C)c2ccoc2)cc1 ZINC000094867425 322977781 /nfs/dbraw/zinc/97/77/81/322977781.db2.gz GRQSCYGWHSOARE-GFCCVEGCSA-N 0 3 245.322 3.182 20 0 BGADHN C[C@H](NCCc1ccccc1F)c1ccoc1 ZINC000094867454 384990098 /nfs/dbraw/zinc/99/00/98/384990098.db2.gz UVQRXFIZWYVSKS-NSHDSACASA-N 0 3 233.286 3.312 20 0 BGADHN C[C@@H](NCCc1ccccc1F)c1ccoc1 ZINC000094867455 322977737 /nfs/dbraw/zinc/97/77/37/322977737.db2.gz UVQRXFIZWYVSKS-LLVKDONJSA-N 0 3 233.286 3.312 20 0 BGADHN C[C@H](NCCc1cccc(F)c1)c1ccoc1 ZINC000094867808 388874153 /nfs/dbraw/zinc/87/41/53/388874153.db2.gz AIFLOLXXNPLHEG-NSHDSACASA-N 0 3 233.286 3.312 20 0 BGADHN C[C@@H](NCCc1cccc(F)c1)c1ccoc1 ZINC000094867809 388874080 /nfs/dbraw/zinc/87/40/80/388874080.db2.gz AIFLOLXXNPLHEG-LLVKDONJSA-N 0 3 233.286 3.312 20 0 BGADHN C[C@H](NCCOc1ccccc1)c1ccoc1 ZINC000094869186 322977718 /nfs/dbraw/zinc/97/77/18/322977718.db2.gz DJTIEXUGFSDPRE-LBPRGKRZSA-N 0 3 231.295 3.009 20 0 BGADHN C[C@@H](NCCOc1ccccc1)c1ccoc1 ZINC000094869187 322977791 /nfs/dbraw/zinc/97/77/91/322977791.db2.gz DJTIEXUGFSDPRE-GFCCVEGCSA-N 0 3 231.295 3.009 20 0 BGADHN Cc1cccc(OCCN[C@@H](C)c2ccoc2)c1 ZINC000094869188 322977720 /nfs/dbraw/zinc/97/77/20/322977720.db2.gz HPYBMAMVKPBYIB-ZDUSSCGKSA-N 0 3 245.322 3.318 20 0 BGADHN Cc1cccc(OCCN[C@H](C)c2ccoc2)c1 ZINC000094869189 384999143 /nfs/dbraw/zinc/99/91/43/384999143.db2.gz HPYBMAMVKPBYIB-CYBMUJFWSA-N 0 3 245.322 3.318 20 0 BGADHN Cc1cccc(CCN[C@@H](C)c2ccoc2)c1 ZINC000094869244 384997715 /nfs/dbraw/zinc/99/77/15/384997715.db2.gz TWTFDHTUMCEOKE-ZDUSSCGKSA-N 0 3 229.323 3.481 20 0 BGADHN Cc1cccc(CCN[C@H](C)c2ccoc2)c1 ZINC000094869245 322977733 /nfs/dbraw/zinc/97/77/33/322977733.db2.gz TWTFDHTUMCEOKE-CYBMUJFWSA-N 0 3 229.323 3.481 20 0 BGADHN C[C@H](NCCCOc1ccccc1)c1ccoc1 ZINC000094869254 322977726 /nfs/dbraw/zinc/97/77/26/322977726.db2.gz BMSCRGOHFTVKJE-ZDUSSCGKSA-N 0 3 245.322 3.399 20 0 BGADHN C[C@@H](NCCCOc1ccccc1)c1ccoc1 ZINC000094869255 384997594 /nfs/dbraw/zinc/99/75/94/384997594.db2.gz BMSCRGOHFTVKJE-CYBMUJFWSA-N 0 3 245.322 3.399 20 0 BGADHN C[C@H](NCCOC1CCCCC1)c1ccoc1 ZINC000094869326 384997291 /nfs/dbraw/zinc/99/72/91/384997291.db2.gz MPKHXCDPEPOUQP-LBPRGKRZSA-N 0 3 237.343 3.280 20 0 BGADHN C[C@@H](NCCOC1CCCCC1)c1ccoc1 ZINC000094869327 322977924 /nfs/dbraw/zinc/97/79/24/322977924.db2.gz MPKHXCDPEPOUQP-GFCCVEGCSA-N 0 3 237.343 3.280 20 0 BGADHN C[C@H](NCC1(O)CCCCCC1)c1ccoc1 ZINC000094869364 360324370 /nfs/dbraw/zinc/32/43/70/360324370.db2.gz QKJUXZRDCMXCDU-LBPRGKRZSA-N 0 3 237.343 3.016 20 0 BGADHN C[C@@H](NCC1(O)CCCCCC1)c1ccoc1 ZINC000094869365 360324021 /nfs/dbraw/zinc/32/40/21/360324021.db2.gz QKJUXZRDCMXCDU-GFCCVEGCSA-N 0 3 237.343 3.016 20 0 BGADHN Cc1ccccc1CCN[C@@H](C)c1ccoc1 ZINC000094869408 384997796 /nfs/dbraw/zinc/99/77/96/384997796.db2.gz XCFHOYCKCTWIJR-ZDUSSCGKSA-N 0 3 229.323 3.481 20 0 BGADHN Cc1ccccc1CCN[C@H](C)c1ccoc1 ZINC000094869409 384998403 /nfs/dbraw/zinc/99/84/03/384998403.db2.gz XCFHOYCKCTWIJR-CYBMUJFWSA-N 0 3 229.323 3.481 20 0 BGADHN CC(C)CC1(CNCc2nccn2C)CCCC1 ZINC000094873627 360323918 /nfs/dbraw/zinc/32/39/18/360323918.db2.gz BHNPAJVQPRCSIA-UHFFFAOYSA-N 0 3 249.402 3.116 20 0 BGADHN CC(C)CC1(CNCc2cc[nH]n2)CCCC1 ZINC000094873910 360323803 /nfs/dbraw/zinc/32/38/03/360323803.db2.gz DZARYXPTNAOOOB-UHFFFAOYSA-N 0 3 235.375 3.106 20 0 BGADHN CC(C)CC1(CNCc2cnccn2)CCCC1 ZINC000094874278 343153839 /nfs/dbraw/zinc/15/38/39/343153839.db2.gz RUPOOAJWMRBABG-UHFFFAOYSA-N 0 3 247.386 3.173 20 0 BGADHN Cc1ccsc1CNCc1cncn1C(C)C ZINC000094875063 360323901 /nfs/dbraw/zinc/32/39/01/360323901.db2.gz UEBJOIQKDDMECM-UHFFFAOYSA-N 0 3 249.383 3.124 20 0 BGADHN CCn1cc([C@@H](C)NCc2sccc2C)cn1 ZINC000094875335 172194603 /nfs/dbraw/zinc/19/46/03/172194603.db2.gz UBICOWQQZMUWQE-LLVKDONJSA-N 0 3 249.383 3.124 20 0 BGADHN CCn1cc([C@H](C)NCc2sccc2C)cn1 ZINC000094875336 172198301 /nfs/dbraw/zinc/19/83/01/172198301.db2.gz UBICOWQQZMUWQE-NSHDSACASA-N 0 3 249.383 3.124 20 0 BGADHN COc1ccc(CNCc2cscc2C)cc1 ZINC000094876997 360323848 /nfs/dbraw/zinc/32/38/48/360323848.db2.gz ZMAHSMYWDGUYBW-UHFFFAOYSA-N 0 3 247.363 3.355 20 0 BGADHN COc1cccc(CNCc2cscc2C)c1 ZINC000094877413 360323866 /nfs/dbraw/zinc/32/38/66/360323866.db2.gz RIYOAHMLOPSUPT-UHFFFAOYSA-N 0 3 247.363 3.355 20 0 BGADHN COC[C@H](C)NCc1ccc(CC(C)C)cc1 ZINC000094895846 360325864 /nfs/dbraw/zinc/32/58/64/360325864.db2.gz MGUKOIDSEHJODC-ZDUSSCGKSA-N 0 3 235.371 3.010 20 0 BGADHN COC[C@@H](C)NCc1ccc(CC(C)C)cc1 ZINC000094895847 360325825 /nfs/dbraw/zinc/32/58/25/360325825.db2.gz MGUKOIDSEHJODC-CYBMUJFWSA-N 0 3 235.371 3.010 20 0 BGADHN CCOCCNCc1ccc(CC(C)C)cc1 ZINC000094896051 360326178 /nfs/dbraw/zinc/32/61/78/360326178.db2.gz MVTAOGWCIXZBDS-UHFFFAOYSA-N 0 3 235.371 3.011 20 0 BGADHN CCOC[C@H](C)NCc1ccc(CC(C)C)cc1 ZINC000094896304 256640331 /nfs/dbraw/zinc/64/03/31/256640331.db2.gz KQVDACDGRHGDHM-AWEZNQCLSA-N 0 3 249.398 3.400 20 0 BGADHN CCC1(C(=O)Nc2cccc(CN)c2)CCCC1 ZINC000094897262 487562929 /nfs/dbraw/zinc/56/29/29/487562929.db2.gz KBALELCEDQYMMC-UHFFFAOYSA-N 0 3 246.354 3.054 20 0 BGADHN C[C@@H](CCCO)N[C@@H](C)c1cc2ccccc2o1 ZINC000094942304 384319038 /nfs/dbraw/zinc/31/90/38/384319038.db2.gz DCLOOELHUGRFJZ-RYUDHWBXSA-N 0 3 247.338 3.244 20 0 BGADHN C[C@H](CCCO)N[C@@H](C)c1cc2ccccc2o1 ZINC000094942305 384319569 /nfs/dbraw/zinc/31/95/69/384319569.db2.gz DCLOOELHUGRFJZ-NEPJUHHUSA-N 0 3 247.338 3.244 20 0 BGADHN C[C@@H](N[C@@H](C)CCCO)c1cc2ccccc2o1 ZINC000094942306 384318277 /nfs/dbraw/zinc/31/82/77/384318277.db2.gz DCLOOELHUGRFJZ-NWDGAFQWSA-N 0 3 247.338 3.244 20 0 BGADHN C[C@H](CCCO)N[C@H](C)c1cc2ccccc2o1 ZINC000094942307 384320222 /nfs/dbraw/zinc/32/02/22/384320222.db2.gz DCLOOELHUGRFJZ-VXGBXAGGSA-N 0 3 247.338 3.244 20 0 BGADHN Cc1ccc(CNCCc2ccc(F)cc2C)o1 ZINC000094950285 360329342 /nfs/dbraw/zinc/32/93/42/360329342.db2.gz ZQVAHANTUMSGHP-UHFFFAOYSA-N 0 3 247.313 3.368 20 0 BGADHN Cc1ccc([C@@H](C)NCc2ccn(C)c2)cc1F ZINC000094952741 135622770 /nfs/dbraw/zinc/62/27/70/135622770.db2.gz AYEICACVWWMGFT-GFCCVEGCSA-N 0 3 246.329 3.323 20 0 BGADHN Cc1ccc([C@H](C)NCc2ccn(C)c2)cc1F ZINC000094952742 360329276 /nfs/dbraw/zinc/32/92/76/360329276.db2.gz AYEICACVWWMGFT-LBPRGKRZSA-N 0 3 246.329 3.323 20 0 BGADHN Cc1ccc([C@@H](C)NCCOC(C)C)cc1F ZINC000094955102 398207154 /nfs/dbraw/zinc/20/71/54/398207154.db2.gz SOVIHNWUNVXDJT-GFCCVEGCSA-N 0 3 239.334 3.210 20 0 BGADHN Cc1ccc([C@H](C)NCCOC(C)C)cc1F ZINC000094955103 398207173 /nfs/dbraw/zinc/20/71/73/398207173.db2.gz SOVIHNWUNVXDJT-LBPRGKRZSA-N 0 3 239.334 3.210 20 0 BGADHN CC[C@@H](CCO)CNc1ccnc2ccccc21 ZINC000094957201 384323367 /nfs/dbraw/zinc/32/33/67/384323367.db2.gz KZYSEBACLSJSCU-LBPRGKRZSA-N 0 3 244.338 3.055 20 0 BGADHN CC[C@H](CCO)CNc1ccnc2ccccc21 ZINC000094957202 384323390 /nfs/dbraw/zinc/32/33/90/384323390.db2.gz KZYSEBACLSJSCU-GFCCVEGCSA-N 0 3 244.338 3.055 20 0 BGADHN CCCCCC(C)(C)CNCc1nccn1C ZINC000094984483 644734468 /nfs/dbraw/zinc/73/44/68/644734468.db2.gz GHNQBCMZBXLHBH-UHFFFAOYSA-N 0 3 237.391 3.116 20 0 BGADHN COc1ncccc1CNCCC1CCCCC1 ZINC000095006748 360329748 /nfs/dbraw/zinc/32/97/48/360329748.db2.gz GAJUPICLANXEFS-UHFFFAOYSA-N 0 3 248.370 3.150 20 0 BGADHN COc1ncccc1CNC[C@H]1CCCC[C@H]1C ZINC000095006921 135623340 /nfs/dbraw/zinc/62/33/40/135623340.db2.gz QYLACBCIXFIWFK-CHWSQXEVSA-N 0 3 248.370 3.006 20 0 BGADHN COc1ncccc1CNC[C@H]1CCCC[C@@H]1C ZINC000095006922 360329703 /nfs/dbraw/zinc/32/97/03/360329703.db2.gz QYLACBCIXFIWFK-QWHCGFSZSA-N 0 3 248.370 3.006 20 0 BGADHN COc1ncccc1CNC[C@@H]1CCCC[C@H]1C ZINC000095006923 360329920 /nfs/dbraw/zinc/32/99/20/360329920.db2.gz QYLACBCIXFIWFK-OLZOCXBDSA-N 0 3 248.370 3.006 20 0 BGADHN COc1ncccc1CNC[C@@H]1CCCC[C@@H]1C ZINC000095006924 360330165 /nfs/dbraw/zinc/33/01/65/360330165.db2.gz QYLACBCIXFIWFK-STQMWFEESA-N 0 3 248.370 3.006 20 0 BGADHN Cc1cccc(CNCCSC(F)(F)F)c1 ZINC000095918322 179092703 /nfs/dbraw/zinc/09/27/03/179092703.db2.gz FIHJWJFRTJOWSJ-UHFFFAOYSA-N 0 3 249.301 3.338 20 0 BGADHN CCC(O)(CC)CNc1ccnc2ccccc21 ZINC000096474523 135625373 /nfs/dbraw/zinc/62/53/73/135625373.db2.gz PBWFXCQWNQXTBU-UHFFFAOYSA-N 0 3 244.338 3.198 20 0 BGADHN COCC[C@H](C)Nc1ccnc2ccccc21 ZINC000096474587 384459735 /nfs/dbraw/zinc/45/97/35/384459735.db2.gz QLIVJOOEUAVMOB-NSHDSACASA-N 0 3 230.311 3.072 20 0 BGADHN COCC[C@@H](C)Nc1ccnc2ccccc21 ZINC000096474588 174386226 /nfs/dbraw/zinc/38/62/26/174386226.db2.gz QLIVJOOEUAVMOB-LLVKDONJSA-N 0 3 230.311 3.072 20 0 BGADHN c1coc(CNC[C@H]2C[C@H]2c2ccccc2)c1 ZINC000096481214 135627351 /nfs/dbraw/zinc/62/73/51/135627351.db2.gz JTNIFYRQTQAQAF-HIFRSBDPSA-N 0 3 227.307 3.173 20 0 BGADHN c1coc(CNC[C@H]2C[C@@H]2c2ccccc2)c1 ZINC000096481216 360348811 /nfs/dbraw/zinc/34/88/11/360348811.db2.gz JTNIFYRQTQAQAF-UKRRQHHQSA-N 0 3 227.307 3.173 20 0 BGADHN c1coc(CNC[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000096481218 384462100 /nfs/dbraw/zinc/46/21/00/384462100.db2.gz JTNIFYRQTQAQAF-ZFWWWQNUSA-N 0 3 227.307 3.173 20 0 BGADHN c1coc(CNC[C@@H]2C[C@@H]2c2ccccc2)c1 ZINC000096481220 360349247 /nfs/dbraw/zinc/34/92/47/360349247.db2.gz JTNIFYRQTQAQAF-DZGCQCFKSA-N 0 3 227.307 3.173 20 0 BGADHN CCc1nc(CNC[C@@H](C)C(C)(C)C)cs1 ZINC000096610033 398318427 /nfs/dbraw/zinc/31/84/27/398318427.db2.gz CCKZMDNTYNURIA-SNVBAGLBSA-N 0 3 240.416 3.477 20 0 BGADHN CCc1nc(CNC[C@H](C)C(C)(C)C)cs1 ZINC000096610034 344378765 /nfs/dbraw/zinc/37/87/65/344378765.db2.gz CCKZMDNTYNURIA-JTQLQIEISA-N 0 3 240.416 3.477 20 0 BGADHN Cc1noc(C)c1CNC[C@@H](C)C(C)(C)C ZINC000096610053 343829151 /nfs/dbraw/zinc/82/91/51/343829151.db2.gz PVACYMXBYRHUJA-SECBINFHSA-N 0 3 224.348 3.063 20 0 BGADHN Cc1noc(C)c1CNC[C@H](C)C(C)(C)C ZINC000096610054 343829103 /nfs/dbraw/zinc/82/91/03/343829103.db2.gz PVACYMXBYRHUJA-VIFPVBQESA-N 0 3 224.348 3.063 20 0 BGADHN Cc1nc(CNC[C@@H](C)C(C)(C)C)cs1 ZINC000096610204 343830126 /nfs/dbraw/zinc/83/01/26/343830126.db2.gz JPPITQOKOVFEDF-SECBINFHSA-N 0 3 226.389 3.223 20 0 BGADHN Cc1nc(CNC[C@H](C)C(C)(C)C)cs1 ZINC000096610205 343830241 /nfs/dbraw/zinc/83/02/41/343830241.db2.gz JPPITQOKOVFEDF-VIFPVBQESA-N 0 3 226.389 3.223 20 0 BGADHN Cc1csc(CNC[C@@H](C)C(C)(C)C)n1 ZINC000096658591 343855608 /nfs/dbraw/zinc/85/56/08/343855608.db2.gz OTCHOXAJNIKKMS-SECBINFHSA-N 0 3 226.389 3.223 20 0 BGADHN Cc1csc(CNC[C@H](C)C(C)(C)C)n1 ZINC000096658592 343855766 /nfs/dbraw/zinc/85/57/66/343855766.db2.gz OTCHOXAJNIKKMS-VIFPVBQESA-N 0 3 226.389 3.223 20 0 BGADHN CCn1ccnc1CN[C@@H]1CCCC[C@@H]1C(C)C ZINC000096811262 387051082 /nfs/dbraw/zinc/05/10/82/387051082.db2.gz OKWMOVACVQAYKQ-ZIAGYGMSSA-N 0 3 249.402 3.207 20 0 BGADHN CCn1ccnc1CN[C@H]1CCCC[C@@H]1C(C)C ZINC000096811263 387050281 /nfs/dbraw/zinc/05/02/81/387050281.db2.gz OKWMOVACVQAYKQ-KGLIPLIRSA-N 0 3 249.402 3.207 20 0 BGADHN CCn1ccnc1CN[C@@H]1CCCC[C@H]1C(C)C ZINC000096811264 387051658 /nfs/dbraw/zinc/05/16/58/387051658.db2.gz OKWMOVACVQAYKQ-UONOGXRCSA-N 0 3 249.402 3.207 20 0 BGADHN CCn1ccnc1CN[C@H]1CCCC[C@H]1C(C)C ZINC000096811265 387051332 /nfs/dbraw/zinc/05/13/32/387051332.db2.gz OKWMOVACVQAYKQ-KBPBESRZSA-N 0 3 249.402 3.207 20 0 BGADHN C[C@@H](CNCc1nccn1C(F)F)C(C)(C)C ZINC000096811280 344381938 /nfs/dbraw/zinc/38/19/38/344381938.db2.gz FKOJJSUHPDRUQR-VIFPVBQESA-N 0 3 245.317 3.050 20 0 BGADHN C[C@H](CNCc1nccn1C(F)F)C(C)(C)C ZINC000096811281 344381823 /nfs/dbraw/zinc/38/18/23/344381823.db2.gz FKOJJSUHPDRUQR-SECBINFHSA-N 0 3 245.317 3.050 20 0 BGADHN CC(C)CCCCNCc1nccs1 ZINC000096867463 644844439 /nfs/dbraw/zinc/84/44/39/644844439.db2.gz SSRJPAUVAMFARO-UHFFFAOYSA-N 0 3 212.362 3.059 20 0 BGADHN CC(C)CCCCNCc1nccn1C(F)F ZINC000096867468 635642846 /nfs/dbraw/zinc/64/28/46/635642846.db2.gz SCRJLJDKYSKNDG-UHFFFAOYSA-N 0 3 245.317 3.194 20 0 BGADHN Cc1nc(CNCCCCC(C)C)cs1 ZINC000096867504 635540518 /nfs/dbraw/zinc/54/05/18/635540518.db2.gz KFEFZICEBACEIL-UHFFFAOYSA-N 0 3 226.389 3.367 20 0 BGADHN Cc1csc(CNCCCCC(C)C)n1 ZINC000096867570 635541008 /nfs/dbraw/zinc/54/10/08/635541008.db2.gz ZEMBHBLJIKDTQF-UHFFFAOYSA-N 0 3 226.389 3.367 20 0 BGADHN C[C@@H]1C[C@H](C)CN(Cc2ccc(F)c(F)c2)C1 ZINC000096953922 177315074 /nfs/dbraw/zinc/31/50/74/177315074.db2.gz CUQBRVZBLUEEBI-PHIMTYICSA-N 0 3 239.309 3.443 20 0 BGADHN C[C@H]1C[C@H](C)CN(Cc2ccc(F)c(F)c2)C1 ZINC000096953923 177358545 /nfs/dbraw/zinc/35/85/45/177358545.db2.gz CUQBRVZBLUEEBI-QWRGUYRKSA-N 0 3 239.309 3.443 20 0 BGADHN C[C@@H]1C[C@@H](C)CN(Cc2ccc(F)c(F)c2)C1 ZINC000096953924 176361913 /nfs/dbraw/zinc/36/19/13/176361913.db2.gz CUQBRVZBLUEEBI-GHMZBOCLSA-N 0 3 239.309 3.443 20 0 BGADHN CC(C)N(C)Cc1ccc(Cl)s1 ZINC000096954002 384484541 /nfs/dbraw/zinc/48/45/41/384484541.db2.gz QQFMYQYLYIWTJR-UHFFFAOYSA-N 0 3 203.738 3.242 20 0 BGADHN CSCCN(C)Cc1cccc(Cl)c1 ZINC000096954116 387231838 /nfs/dbraw/zinc/23/18/38/387231838.db2.gz YACFESLHZPRCRB-UHFFFAOYSA-N 0 3 229.776 3.135 20 0 BGADHN CSCCN(C)Cc1ccc(Cl)cc1 ZINC000096954269 387230349 /nfs/dbraw/zinc/23/03/49/387230349.db2.gz SRCMWWXHPGNTNO-UHFFFAOYSA-N 0 3 229.776 3.135 20 0 BGADHN COc1ccc(Cl)cc1CN(C)C(C)C ZINC000096969903 175120261 /nfs/dbraw/zinc/12/02/61/175120261.db2.gz XQNPSYFYKSSDDT-UHFFFAOYSA-N 0 3 227.735 3.189 20 0 BGADHN CCCCCN(C)Cc1ccccc1OC ZINC000096971178 385268115 /nfs/dbraw/zinc/26/81/15/385268115.db2.gz RWDBYNOKJVIJIT-UHFFFAOYSA-N 0 3 221.344 3.317 20 0 BGADHN CC(C)CCN(Cc1ccccn1)C1CC1 ZINC000096981797 387233322 /nfs/dbraw/zinc/23/33/22/387233322.db2.gz VCMGBLQQBVNVJP-UHFFFAOYSA-N 0 3 218.344 3.092 20 0 BGADHN CC(C)CCN(Cc1cccnc1)C1CC1 ZINC000096981933 398314397 /nfs/dbraw/zinc/31/43/97/398314397.db2.gz KLZBXVWDOBNNCJ-UHFFFAOYSA-N 0 3 218.344 3.092 20 0 BGADHN CSCCN(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000097028360 384490003 /nfs/dbraw/zinc/49/00/03/384490003.db2.gz KRRZWCQVIYMESD-VIFPVBQESA-N 0 3 245.338 3.321 20 0 BGADHN CSCCN(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000097028361 384489389 /nfs/dbraw/zinc/48/93/89/384489389.db2.gz KRRZWCQVIYMESD-SECBINFHSA-N 0 3 245.338 3.321 20 0 BGADHN CC(C)N(C)Cc1ccccc1OC(F)(F)F ZINC000097099852 384497499 /nfs/dbraw/zinc/49/74/99/384497499.db2.gz JCYVMYBCJJNLAV-UHFFFAOYSA-N 0 3 247.260 3.425 20 0 BGADHN CCN(CCSc1ccccc1F)C1CC1 ZINC000097205694 387239384 /nfs/dbraw/zinc/23/93/84/387239384.db2.gz MWCKOZHTJNCDHB-UHFFFAOYSA-N 0 3 239.359 3.402 20 0 BGADHN Cc1occc1CN(C)CCc1ccccc1 ZINC000097269880 360367093 /nfs/dbraw/zinc/36/70/93/360367093.db2.gz KNOKCASNPDQXSP-UHFFFAOYSA-N 0 3 229.323 3.263 20 0 BGADHN Cc1occc1CN(C)CC1CCCC1 ZINC000097270772 360367380 /nfs/dbraw/zinc/36/73/80/360367380.db2.gz RFOYPCNQTDECFN-UHFFFAOYSA-N 0 3 207.317 3.210 20 0 BGADHN CC(C)CCN(C)Cc1ccc(F)cc1F ZINC000097474020 384218752 /nfs/dbraw/zinc/21/87/52/384218752.db2.gz CNDCCSZNUWGSRL-UHFFFAOYSA-N 0 3 227.298 3.443 20 0 BGADHN C[C@@H]1CCC[C@H](NCc2cn3ccsc3n2)C1 ZINC000097602900 176143984 /nfs/dbraw/zinc/14/39/84/176143984.db2.gz BMPYUHONNZBXSY-MNOVXSKESA-N 0 3 249.383 3.064 20 0 BGADHN C[C@H]1CCC[C@H](NCc2cn3ccsc3n2)C1 ZINC000097602901 177136988 /nfs/dbraw/zinc/13/69/88/177136988.db2.gz BMPYUHONNZBXSY-QWRGUYRKSA-N 0 3 249.383 3.064 20 0 BGADHN C[C@@H]1CCC[C@@H](NCc2cn3ccsc3n2)C1 ZINC000097602902 176124487 /nfs/dbraw/zinc/12/44/87/176124487.db2.gz BMPYUHONNZBXSY-GHMZBOCLSA-N 0 3 249.383 3.064 20 0 BGADHN C[C@H]1CCC[C@@H](NCc2cn3ccsc3n2)C1 ZINC000097602903 188149341 /nfs/dbraw/zinc/14/93/41/188149341.db2.gz BMPYUHONNZBXSY-WDEREUQCSA-N 0 3 249.383 3.064 20 0 BGADHN CC1CCC(NCc2cn3ccsc3n2)CC1 ZINC000097602907 387251642 /nfs/dbraw/zinc/25/16/42/387251642.db2.gz WRDINDQQQKHFFE-UHFFFAOYSA-N 0 3 249.383 3.064 20 0 BGADHN C[C@@H](CNCc1cn2ccccc2n1)C(C)(C)C ZINC000097603045 342812063 /nfs/dbraw/zinc/81/20/63/342812063.db2.gz RUXXQOPCHDPBHI-LBPRGKRZSA-N 0 3 245.370 3.106 20 0 BGADHN C[C@H](CNCc1cn2ccccc2n1)C(C)(C)C ZINC000097603047 342812085 /nfs/dbraw/zinc/81/20/85/342812085.db2.gz RUXXQOPCHDPBHI-GFCCVEGCSA-N 0 3 245.370 3.106 20 0 BGADHN C[C@@H]1CCC[C@H](C)N1Cc1c(N)cccc1F ZINC000097679348 177116840 /nfs/dbraw/zinc/11/68/40/177116840.db2.gz ZQOIWVRDKVNAHP-PHIMTYICSA-N 0 3 236.334 3.171 20 0 BGADHN FC(F)(F)CCCNCc1ccc(Cl)o1 ZINC000097988710 386206947 /nfs/dbraw/zinc/20/69/47/386206947.db2.gz OHKRJYPGJBEYLS-UHFFFAOYSA-N 0 3 241.640 3.365 20 0 BGADHN Cc1ccc(CNCCCC(F)(F)F)o1 ZINC000097988851 384582723 /nfs/dbraw/zinc/58/27/23/384582723.db2.gz SONVFGGYQXNFQU-UHFFFAOYSA-N 0 3 221.222 3.020 20 0 BGADHN Fc1ccccc1CNCCCC(F)(F)F ZINC000097988934 360386362 /nfs/dbraw/zinc/38/63/62/360386362.db2.gz VBWGRVSFDPBJSZ-UHFFFAOYSA-N 0 3 235.224 3.258 20 0 BGADHN CC[C@@H]1CCCCN1Cc1cnc(C)s1 ZINC000098129938 386580626 /nfs/dbraw/zinc/58/06/26/386580626.db2.gz BAKOPMIBSAQLEZ-LLVKDONJSA-N 0 3 224.373 3.216 20 0 BGADHN CC[C@H]1CCCCN1Cc1cnc(C)s1 ZINC000098129939 386581544 /nfs/dbraw/zinc/58/15/44/386581544.db2.gz BAKOPMIBSAQLEZ-NSHDSACASA-N 0 3 224.373 3.216 20 0 BGADHN Cc1ncc(CN(CC(C)C)C2CC2)s1 ZINC000098132485 180139238 /nfs/dbraw/zinc/13/92/38/180139238.db2.gz HCYAXJDFWFDKEW-UHFFFAOYSA-N 0 3 224.373 3.072 20 0 BGADHN CCCN(CCC)Cc1cnc(C)s1 ZINC000098132519 169148466 /nfs/dbraw/zinc/14/84/66/169148466.db2.gz QFSIRUIVNOHCND-UHFFFAOYSA-N 0 3 212.362 3.074 20 0 BGADHN CC[C@@H]1CCCN(Cc2cnc(C)s2)C1 ZINC000098132782 344407229 /nfs/dbraw/zinc/40/72/29/344407229.db2.gz PNVQTEPWUNTZBL-LLVKDONJSA-N 0 3 224.373 3.074 20 0 BGADHN CC[C@H]1CCCN(Cc2cnc(C)s2)C1 ZINC000098132784 384597693 /nfs/dbraw/zinc/59/76/93/384597693.db2.gz PNVQTEPWUNTZBL-NSHDSACASA-N 0 3 224.373 3.074 20 0 BGADHN CCN(Cc1cnc(C)s1)C1CCCC1 ZINC000098133098 344407243 /nfs/dbraw/zinc/40/72/43/344407243.db2.gz SKQHJJIYCQDXGS-UHFFFAOYSA-N 0 3 224.373 3.216 20 0 BGADHN C[C@H](NCc1csc(C(C)(C)C)n1)C1CC1 ZINC000098161737 360389860 /nfs/dbraw/zinc/38/98/60/360389860.db2.gz NDCYBXQTTUFNPE-VIFPVBQESA-N 0 3 238.400 3.329 20 0 BGADHN C[C@@H](NCc1csc(C(C)(C)C)n1)C1CC1 ZINC000098161738 360390125 /nfs/dbraw/zinc/39/01/25/360390125.db2.gz NDCYBXQTTUFNPE-SECBINFHSA-N 0 3 238.400 3.329 20 0 BGADHN c1ccc(CN2CCC3(CCCC3)CC2)nc1 ZINC000098177167 183396152 /nfs/dbraw/zinc/39/61/52/183396152.db2.gz WITOOXIOHZIYGO-UHFFFAOYSA-N 0 3 230.355 3.238 20 0 BGADHN CC(=O)Nc1cccc(CN2CCCC[C@H]2C)c1 ZINC000101543175 191064788 /nfs/dbraw/zinc/06/47/88/191064788.db2.gz MIUCVGHBQCHDCQ-GFCCVEGCSA-N 0 3 246.354 3.019 20 0 BGADHN CC(=O)Nc1cccc(CN2CCCC[C@@H]2C)c1 ZINC000101543177 384677424 /nfs/dbraw/zinc/67/74/24/384677424.db2.gz MIUCVGHBQCHDCQ-LBPRGKRZSA-N 0 3 246.354 3.019 20 0 BGADHN CN(CCC1CCCCC1)Cc1ccccn1 ZINC000101565614 384798618 /nfs/dbraw/zinc/79/86/18/384798618.db2.gz ZXDKXJKKAUXACB-UHFFFAOYSA-N 0 3 232.371 3.484 20 0 BGADHN CN(CCC1CCCCC1)Cc1cccnc1 ZINC000101565667 384797680 /nfs/dbraw/zinc/79/76/80/384797680.db2.gz SQZCEQHTLNSBML-UHFFFAOYSA-N 0 3 232.371 3.484 20 0 BGADHN c1nc(-c2ccccc2)[nH]c1CN1CCCCC1 ZINC000101577825 183383981 /nfs/dbraw/zinc/38/39/81/183383981.db2.gz OUZLFQBPFSUWLQ-UHFFFAOYSA-N 0 3 241.338 3.063 20 0 BGADHN CC(C)(C)c1nc(CNC2CCCC2)cs1 ZINC000101598680 187370029 /nfs/dbraw/zinc/37/00/29/187370029.db2.gz LISQZNSTCGBKIG-UHFFFAOYSA-N 0 3 238.400 3.473 20 0 BGADHN c1sc2ccccc2c1CN1CCSCC1 ZINC000101726564 384855783 /nfs/dbraw/zinc/85/57/83/384855783.db2.gz OXASWDRHEYABMN-UHFFFAOYSA-N 0 3 249.404 3.450 20 0 BGADHN CCN(CCc1cccs1)Cc1ccoc1 ZINC000102407261 587831167 /nfs/dbraw/zinc/83/11/67/587831167.db2.gz FPHSZCOGDBYNTE-UHFFFAOYSA-N 0 3 235.352 3.406 20 0 BGADHN CCN(CCOc1ccccc1)Cc1ccoc1 ZINC000102409164 357388711 /nfs/dbraw/zinc/38/87/11/357388711.db2.gz PHAZXIMNHJQNDF-UHFFFAOYSA-N 0 3 245.322 3.181 20 0 BGADHN Cc1ccccc1C1(CNCc2ccco2)CC1 ZINC000102434300 179255850 /nfs/dbraw/zinc/25/58/50/179255850.db2.gz QQUJWXKEAPFVOU-UHFFFAOYSA-N 0 3 241.334 3.409 20 0 BGADHN CCCN(Cc1nccn1C)CC1CCCCC1 ZINC000102514696 169181589 /nfs/dbraw/zinc/18/15/89/169181589.db2.gz FMYQKTIFBOATJM-UHFFFAOYSA-N 0 3 249.402 3.212 20 0 BGADHN CCC(C)(C)C(=O)Nc1cccc(CN(C)C)c1 ZINC000102604042 168269033 /nfs/dbraw/zinc/26/90/33/168269033.db2.gz SSGOINYLILZKRS-UHFFFAOYSA-N 0 3 248.370 3.123 20 0 BGADHN Cc1cccn2cc(CNC3CCCCC3)nc12 ZINC000102678129 179357107 /nfs/dbraw/zinc/35/71/07/179357107.db2.gz UVCOWRKXIWBUTB-UHFFFAOYSA-N 0 3 243.354 3.065 20 0 BGADHN Fc1ccccc1CN(CC1CC1)C1CC1 ZINC000102775483 181011580 /nfs/dbraw/zinc/01/15/80/181011580.db2.gz VKNSWEJQXLMVGQ-UHFFFAOYSA-N 0 3 219.303 3.200 20 0 BGADHN FC(F)(F)Oc1cccc(CN2CCCC2)c1 ZINC000102780160 384575075 /nfs/dbraw/zinc/57/50/75/384575075.db2.gz JLHGZFIDYYFHCQ-UHFFFAOYSA-N 0 3 245.244 3.181 20 0 BGADHN CCCC(C)(C)NCc1csc(CC)n1 ZINC000102794245 384664687 /nfs/dbraw/zinc/66/46/87/384664687.db2.gz XRHWFTVBDNLIKQ-UHFFFAOYSA-N 0 3 226.389 3.374 20 0 BGADHN CC(C)=CCN1CC[C@H](Nc2ccccc2)C1 ZINC000102845357 368236617 /nfs/dbraw/zinc/23/66/17/368236617.db2.gz JYIJSLRBRNCDKP-HNNXBMFYSA-N 0 3 230.355 3.139 20 0 BGADHN CC(C)=CCN1CC[C@@H](Nc2ccccc2)C1 ZINC000102845360 368236966 /nfs/dbraw/zinc/23/69/66/368236966.db2.gz JYIJSLRBRNCDKP-OAHLLOKOSA-N 0 3 230.355 3.139 20 0 BGADHN CC(C)n1ccnc1CN1CCC[C@@H]1C1CCC1 ZINC000102927835 387522399 /nfs/dbraw/zinc/52/23/99/387522399.db2.gz KCWDKIFLBTUENJ-CQSZACIVSA-N 0 3 247.386 3.229 20 0 BGADHN CC(C)n1ccnc1CN1CCC[C@H]1C1CCC1 ZINC000102927840 387522451 /nfs/dbraw/zinc/52/24/51/387522451.db2.gz KCWDKIFLBTUENJ-AWEZNQCLSA-N 0 3 247.386 3.229 20 0 BGADHN COc1ccc(CN2CCCC2(C)C)cc1F ZINC000102930742 384587511 /nfs/dbraw/zinc/58/75/11/384587511.db2.gz ISJGZWNAULGKCA-UHFFFAOYSA-N 0 3 237.318 3.209 20 0 BGADHN CCC[C@H](NCc1cc[nH]n1)C1CCCCC1 ZINC000102939226 323216060 /nfs/dbraw/zinc/21/60/60/323216060.db2.gz QNUYABLAWOFLRC-AWEZNQCLSA-N 0 3 235.375 3.248 20 0 BGADHN CCC[C@@H](NCc1cc[nH]n1)C1CCCCC1 ZINC000102939228 323216039 /nfs/dbraw/zinc/21/60/39/323216039.db2.gz QNUYABLAWOFLRC-CQSZACIVSA-N 0 3 235.375 3.248 20 0 BGADHN CC(C)(CNCc1ccco1)c1ccc(F)cc1 ZINC000103172367 585067763 /nfs/dbraw/zinc/06/77/63/585067763.db2.gz FLFDLMSEQKCWAG-UHFFFAOYSA-N 0 3 247.313 3.486 20 0 BGADHN CC(C)(NCc1cccnc1)c1ccc(F)cc1 ZINC000103173315 585067827 /nfs/dbraw/zinc/06/78/27/585067827.db2.gz HAXILSCRBOWKKM-UHFFFAOYSA-N 0 3 244.313 3.246 20 0 BGADHN CC(C)(NCc1ccncc1)c1ccc(F)cc1 ZINC000103173334 585067891 /nfs/dbraw/zinc/06/78/91/585067891.db2.gz ZBXBKVMFLDVELM-UHFFFAOYSA-N 0 3 244.313 3.246 20 0 BGADHN COCCCCCN(C)[C@@H](C)c1ccco1 ZINC000103227222 174175318 /nfs/dbraw/zinc/17/53/18/174175318.db2.gz QFWKZSLPNBHDJU-LBPRGKRZSA-N 0 3 225.332 3.089 20 0 BGADHN COCCCCCN(C)[C@H](C)c1ccco1 ZINC000103227226 174176063 /nfs/dbraw/zinc/17/60/63/174176063.db2.gz QFWKZSLPNBHDJU-GFCCVEGCSA-N 0 3 225.332 3.089 20 0 BGADHN Cc1ccc([O-])c(C[NH2+]CCC2=CCCCC2)n1 ZINC000103340435 384763323 /nfs/dbraw/zinc/76/33/23/384763323.db2.gz WOLFOWBJUHQYLD-UHFFFAOYSA-N 0 3 246.354 3.076 20 0 BGADHN Cc1ccc([O-])c(C[NH2+]C2CCCCCCC2)n1 ZINC000103340582 585096456 /nfs/dbraw/zinc/09/64/56/585096456.db2.gz FLTALQRLZYYFIX-UHFFFAOYSA-N 0 3 248.370 3.298 20 0 BGADHN CCCCC[C@@H](C)[NH2+]Cc1nc(C)ccc1[O-] ZINC000103340589 585096362 /nfs/dbraw/zinc/09/63/62/585096362.db2.gz NKPRMRXFFFRDIS-LLVKDONJSA-N 0 3 236.359 3.154 20 0 BGADHN CCCCC[C@H](C)[NH2+]Cc1nc(C)ccc1[O-] ZINC000103340591 585096319 /nfs/dbraw/zinc/09/63/19/585096319.db2.gz NKPRMRXFFFRDIS-NSHDSACASA-N 0 3 236.359 3.154 20 0 BGADHN Cc1ccc([O-])c(C[NH2+][C@@H](C)CCC(C)C)n1 ZINC000103340607 386964601 /nfs/dbraw/zinc/96/46/01/386964601.db2.gz KVIAMZAOXIENMR-NSHDSACASA-N 0 3 236.359 3.010 20 0 BGADHN Cc1ccc([O-])c(C[NH2+][C@H](C)CCC(C)C)n1 ZINC000103340610 386964389 /nfs/dbraw/zinc/96/43/89/386964389.db2.gz KVIAMZAOXIENMR-LLVKDONJSA-N 0 3 236.359 3.010 20 0 BGADHN CCC1CCC([NH2+]Cc2nc(C)ccc2[O-])CC1 ZINC000103343102 168521532 /nfs/dbraw/zinc/52/15/32/168521532.db2.gz BTDCCEPSHOKWIK-UHFFFAOYSA-N 0 3 248.370 3.154 20 0 BGADHN Cc1ccc([O-])c(C[NH2+]C[C@@H]2CCC[C@H](C)C2)n1 ZINC000103343717 192054554 /nfs/dbraw/zinc/05/45/54/192054554.db2.gz HEOBZYORYJRQQW-WCQYABFASA-N 0 3 248.370 3.012 20 0 BGADHN Cc1ccc([O-])c(C[NH2+]C[C@H]2CCC[C@H](C)C2)n1 ZINC000103343720 188082182 /nfs/dbraw/zinc/08/21/82/188082182.db2.gz HEOBZYORYJRQQW-AAEUAGOBSA-N 0 3 248.370 3.012 20 0 BGADHN Cc1ccc([O-])c(C[NH2+]C[C@@H]2CCC[C@@H](C)C2)n1 ZINC000103343724 585096506 /nfs/dbraw/zinc/09/65/06/585096506.db2.gz HEOBZYORYJRQQW-DGCLKSJQSA-N 0 3 248.370 3.012 20 0 BGADHN Cc1ccc([O-])c(C[NH2+]C[C@H]2CCC[C@@H](C)C2)n1 ZINC000103343728 192054713 /nfs/dbraw/zinc/05/47/13/192054713.db2.gz HEOBZYORYJRQQW-YPMHNXCESA-N 0 3 248.370 3.012 20 0 BGADHN Cc1ncc(CN(C2CC2)C2CCCC2)s1 ZINC000103466012 323249954 /nfs/dbraw/zinc/24/99/54/323249954.db2.gz LDTPYLKXCRFKQI-UHFFFAOYSA-N 0 3 236.384 3.359 20 0 BGADHN c1ccc2c(c1)CCC[C@@H]2N1CCSCC1 ZINC000103467561 323250092 /nfs/dbraw/zinc/25/00/92/323250092.db2.gz XRLGTROMMZJPPJ-AWEZNQCLSA-N 0 3 233.380 3.113 20 0 BGADHN c1ccc2c(c1)CCC[C@H]2N1CCSCC1 ZINC000103467562 323250228 /nfs/dbraw/zinc/25/02/28/323250228.db2.gz XRLGTROMMZJPPJ-CQSZACIVSA-N 0 3 233.380 3.113 20 0 BGADHN CC(C)OCCNC(C)(C)c1ccc(F)cc1 ZINC000103483060 585330560 /nfs/dbraw/zinc/33/05/60/585330560.db2.gz FAHBXFKTKRNCAU-UHFFFAOYSA-N 0 3 239.334 3.075 20 0 BGADHN COc1ccccc1C(C)(C)NCC=C(C)C ZINC000103484217 323251797 /nfs/dbraw/zinc/25/17/97/323251797.db2.gz HXSRWXKPOFOCOW-UHFFFAOYSA-N 0 3 233.355 3.486 20 0 BGADHN C[C@H](N[C@@H]1CCOC1)c1ccc(C(C)(C)C)cc1 ZINC000104073205 490690972 /nfs/dbraw/zinc/69/09/72/490690972.db2.gz HYGJRXPRIMNAMU-SWLSCSKDSA-N 0 3 247.382 3.424 20 0 BGADHN C[C@@H](N[C@@H]1CCOC1)c1ccc(C(C)(C)C)cc1 ZINC000104073211 410922782 /nfs/dbraw/zinc/92/27/82/410922782.db2.gz HYGJRXPRIMNAMU-IUODEOHRSA-N 0 3 247.382 3.424 20 0 BGADHN C[C@H](N[C@H]1CCOC1)c1ccc(C(C)(C)C)cc1 ZINC000104073216 587930228 /nfs/dbraw/zinc/93/02/28/587930228.db2.gz HYGJRXPRIMNAMU-WFASDCNBSA-N 0 3 247.382 3.424 20 0 BGADHN C[C@@H](N[C@H]1CCOC1)c1ccc(C(C)(C)C)cc1 ZINC000104073221 587930257 /nfs/dbraw/zinc/93/02/57/587930257.db2.gz HYGJRXPRIMNAMU-DOMZBBRYSA-N 0 3 247.382 3.424 20 0 BGADHN Cc1noc(C)c1CN1[C@H](C)CCC[C@@H]1C ZINC000104078055 384660838 /nfs/dbraw/zinc/66/08/38/384660838.db2.gz LRUFGZRNLZOJJC-AOOOYVTPSA-N 0 3 222.332 3.054 20 0 BGADHN Cc1noc(C)c1CN1[C@@H](C)CCC[C@@H]1C ZINC000104078059 384661145 /nfs/dbraw/zinc/66/11/45/384661145.db2.gz LRUFGZRNLZOJJC-UWVGGRQHSA-N 0 3 222.332 3.054 20 0 BGADHN Cc1noc(C)c1CN1[C@H](C)CCC[C@H]1C ZINC000104078061 384660537 /nfs/dbraw/zinc/66/05/37/384660537.db2.gz LRUFGZRNLZOJJC-NXEZZACHSA-N 0 3 222.332 3.054 20 0 BGADHN CC[C@@H](C)[C@@H](C)NCc1nc2ccccc2n1C ZINC000104201723 587948781 /nfs/dbraw/zinc/94/87/81/587948781.db2.gz YVTNSIWMSCNOFN-VXGBXAGGSA-N 0 3 245.370 3.098 20 0 BGADHN CC[C@H](C)[C@@H](C)NCc1nc2ccccc2n1C ZINC000104201725 171365975 /nfs/dbraw/zinc/36/59/75/171365975.db2.gz YVTNSIWMSCNOFN-NWDGAFQWSA-N 0 3 245.370 3.098 20 0 BGADHN CC[C@@H](C)[C@H](C)NCc1nc2ccccc2n1C ZINC000104201727 587948991 /nfs/dbraw/zinc/94/89/91/587948991.db2.gz YVTNSIWMSCNOFN-NEPJUHHUSA-N 0 3 245.370 3.098 20 0 BGADHN CC[C@H](C)[C@H](C)NCc1nc2ccccc2n1C ZINC000104201729 171389285 /nfs/dbraw/zinc/38/92/85/171389285.db2.gz YVTNSIWMSCNOFN-RYUDHWBXSA-N 0 3 245.370 3.098 20 0 BGADHN Cc1ccc(CN[C@@H](C)c2ccncc2)cc1F ZINC000104335444 384680631 /nfs/dbraw/zinc/68/06/31/384680631.db2.gz VCTXRFZNPUVIHZ-LBPRGKRZSA-N 0 3 244.313 3.380 20 0 BGADHN Cc1ccc(CN[C@H](C)c2ccncc2)cc1F ZINC000104335448 178631000 /nfs/dbraw/zinc/63/10/00/178631000.db2.gz VCTXRFZNPUVIHZ-GFCCVEGCSA-N 0 3 244.313 3.380 20 0 BGADHN CCCCOCCNCc1ccc(C)c(F)c1 ZINC000104340251 346538225 /nfs/dbraw/zinc/53/82/25/346538225.db2.gz SOKNHJCZMPASNF-UHFFFAOYSA-N 0 3 239.334 3.040 20 0 BGADHN CC1(CNCc2cn3ccccc3n2)CCCC1 ZINC000104420537 168043102 /nfs/dbraw/zinc/04/31/02/168043102.db2.gz RXDTWJZJQVZKLP-UHFFFAOYSA-N 0 3 243.354 3.004 20 0 BGADHN Cc1ccc([C@@H](C)NCCOC2CCCC2)o1 ZINC000104431070 384830590 /nfs/dbraw/zinc/83/05/90/384830590.db2.gz OVTJJHGAISLRTD-GFCCVEGCSA-N 0 3 237.343 3.198 20 0 BGADHN Cc1ccc([C@H](C)NCCOC2CCCC2)o1 ZINC000104431073 187988961 /nfs/dbraw/zinc/98/89/61/187988961.db2.gz OVTJJHGAISLRTD-LBPRGKRZSA-N 0 3 237.343 3.198 20 0 BGADHN C[C@H](NCCOC1CCCC1)c1cccc(O)c1 ZINC000104437886 384689252 /nfs/dbraw/zinc/68/92/52/384689252.db2.gz BOVVKUABLZQMGK-LBPRGKRZSA-N 0 3 249.354 3.002 20 0 BGADHN C[C@@H](NCCOC1CCCC1)c1cccc(O)c1 ZINC000104437888 384688130 /nfs/dbraw/zinc/68/81/30/384688130.db2.gz BOVVKUABLZQMGK-GFCCVEGCSA-N 0 3 249.354 3.002 20 0 BGADHN CC(C)OCCNC1(c2ccccc2)CCC1 ZINC000104664841 167241900 /nfs/dbraw/zinc/24/19/00/167241900.db2.gz ZLKNCYCBFPAQOL-UHFFFAOYSA-N 0 3 233.355 3.080 20 0 BGADHN CC(C)(C)OCCNC1(c2ccccc2)CCC1 ZINC000104665205 368305255 /nfs/dbraw/zinc/30/52/55/368305255.db2.gz HZBLXGVOMMMFLJ-UHFFFAOYSA-N 0 3 247.382 3.471 20 0 BGADHN CC[C@@H](C)N(C)Cc1cnn(-c2ccccc2)c1 ZINC000104686531 384838917 /nfs/dbraw/zinc/83/89/17/384838917.db2.gz CIDBYXFKEVUQJF-CYBMUJFWSA-N 0 3 243.354 3.103 20 0 BGADHN CC[C@H](C)N(C)Cc1cnn(-c2ccccc2)c1 ZINC000104686534 171310052 /nfs/dbraw/zinc/31/00/52/171310052.db2.gz CIDBYXFKEVUQJF-ZDUSSCGKSA-N 0 3 243.354 3.103 20 0 BGADHN COc1ccccc1CCN(C)CC=C(C)C ZINC000104709891 358360122 /nfs/dbraw/zinc/36/01/22/358360122.db2.gz OKCYZVPQYGARFK-UHFFFAOYSA-N 0 3 233.355 3.136 20 0 BGADHN CC1CCC(N(C)Cc2ccccn2)CC1 ZINC000104945251 168159102 /nfs/dbraw/zinc/15/91/02/168159102.db2.gz ZBODXJHASAWVTH-UHFFFAOYSA-N 0 3 218.344 3.092 20 0 BGADHN CCN(CCc1ccccc1)Cc1ccccn1 ZINC000104948272 323300245 /nfs/dbraw/zinc/30/02/45/323300245.db2.gz ZCAGLEWRRVISDG-UHFFFAOYSA-N 0 3 240.350 3.146 20 0 BGADHN CCN(Cc1ccc(C)cc1)Cc1ccccn1 ZINC000104948948 344462308 /nfs/dbraw/zinc/46/23/08/344462308.db2.gz ZDDDNCVNPHWPQW-UHFFFAOYSA-N 0 3 240.350 3.412 20 0 BGADHN CCN(CCc1cccs1)Cc1ccccn1 ZINC000104949293 384850271 /nfs/dbraw/zinc/85/02/71/384850271.db2.gz GPEUJVCQLFTCQR-UHFFFAOYSA-N 0 3 246.379 3.208 20 0 BGADHN Cc1ccc(CN[C@@H](C)Cc2ccc(O)cc2)o1 ZINC000105447672 384869617 /nfs/dbraw/zinc/86/96/17/384869617.db2.gz NRJRJGDOUQDUPP-NSHDSACASA-N 0 3 245.322 3.014 20 0 BGADHN Cc1ccc(CN[C@H](C)Cc2ccc(O)cc2)o1 ZINC000105447675 384870157 /nfs/dbraw/zinc/87/01/57/384870157.db2.gz NRJRJGDOUQDUPP-LLVKDONJSA-N 0 3 245.322 3.014 20 0 BGADHN C[C@@H](CNCc1ccco1)c1ccc(F)cc1 ZINC000105452218 384868977 /nfs/dbraw/zinc/86/89/77/384868977.db2.gz FGFLOIHSKMJJHA-NSHDSACASA-N 0 3 233.286 3.312 20 0 BGADHN C[C@H](CNCc1ccco1)c1ccc(F)cc1 ZINC000105452223 384867967 /nfs/dbraw/zinc/86/79/67/384867967.db2.gz FGFLOIHSKMJJHA-LLVKDONJSA-N 0 3 233.286 3.312 20 0 BGADHN CCC[C@@H](CC)NCc1nc2ccccc2n1C ZINC000105462045 169379643 /nfs/dbraw/zinc/37/96/43/169379643.db2.gz XMTBNMWZACIOJH-GFCCVEGCSA-N 0 3 245.370 3.242 20 0 BGADHN CCC[C@H](CC)NCc1nc2ccccc2n1C ZINC000105462048 191067345 /nfs/dbraw/zinc/06/73/45/191067345.db2.gz XMTBNMWZACIOJH-LBPRGKRZSA-N 0 3 245.370 3.242 20 0 BGADHN CCOc1ccccc1CCNCc1ccco1 ZINC000105491314 588184507 /nfs/dbraw/zinc/18/45/07/588184507.db2.gz AOHIZDALBVPPSC-UHFFFAOYSA-N 0 3 245.322 3.011 20 0 BGADHN Cc1ccccc1OCCCNCc1ccco1 ZINC000105495996 179310035 /nfs/dbraw/zinc/31/00/35/179310035.db2.gz QIPMYBCBZHOGNG-UHFFFAOYSA-N 0 3 245.322 3.147 20 0 BGADHN CC[C@H](NC1CCCC1)c1nc(C)cs1 ZINC000105503915 342999975 /nfs/dbraw/zinc/99/99/75/342999975.db2.gz FQNWTQMVYCXLRJ-NSHDSACASA-N 0 3 224.373 3.435 20 0 BGADHN CC[C@@H](NC1CCCC1)c1nc(C)cs1 ZINC000105503916 342999937 /nfs/dbraw/zinc/99/99/37/342999937.db2.gz FQNWTQMVYCXLRJ-LLVKDONJSA-N 0 3 224.373 3.435 20 0 BGADHN C[C@@H]1CCC[C@@H]1NCc1cccnc1Cl ZINC000105504709 588185883 /nfs/dbraw/zinc/18/58/83/588185883.db2.gz JSKRRBDWBSPMAY-KOLCDFICSA-N 0 3 224.735 3.013 20 0 BGADHN C[C@H]1CCC[C@@H]1NCc1cccnc1Cl ZINC000105504713 588185976 /nfs/dbraw/zinc/18/59/76/588185976.db2.gz JSKRRBDWBSPMAY-ONGXEEELSA-N 0 3 224.735 3.013 20 0 BGADHN C[C@@H]1CCC[C@H]1NCc1cccnc1Cl ZINC000105504717 588185424 /nfs/dbraw/zinc/18/54/24/588185424.db2.gz JSKRRBDWBSPMAY-MWLCHTKSSA-N 0 3 224.735 3.013 20 0 BGADHN C[C@H]1CCC[C@H]1NCc1cccnc1Cl ZINC000105504722 588185662 /nfs/dbraw/zinc/18/56/62/588185662.db2.gz JSKRRBDWBSPMAY-GXSJLCMTSA-N 0 3 224.735 3.013 20 0 BGADHN Cc1ccccc1CCNCc1ccccc1F ZINC000105770827 387931427 /nfs/dbraw/zinc/93/14/27/387931427.db2.gz SCIHNXIJXXKQHC-UHFFFAOYSA-N 0 3 243.325 3.466 20 0 BGADHN Cc1ccc(CNCCc2ccccc2C)o1 ZINC000105812809 588224301 /nfs/dbraw/zinc/22/43/01/588224301.db2.gz GDRKDCDDSHDOSF-UHFFFAOYSA-N 0 3 229.323 3.229 20 0 BGADHN Cc1nc(CNCCc2ccccc2C)cs1 ZINC000105812936 398325397 /nfs/dbraw/zinc/32/53/97/398325397.db2.gz DDRPCXBUYZTVAX-UHFFFAOYSA-N 0 3 246.379 3.092 20 0 BGADHN c1cn2cc(CNCC3CCCCC3)nc2s1 ZINC000105971846 384894496 /nfs/dbraw/zinc/89/44/96/384894496.db2.gz FPVCAEITYCNYDU-UHFFFAOYSA-N 0 3 249.383 3.066 20 0 BGADHN C[C@H]1CC[C@@H](NCc2ccncc2Cl)CC1 ZINC000106221970 177193006 /nfs/dbraw/zinc/19/30/06/177193006.db2.gz KXXTWJODUQZVEP-UMSPYCQHSA-N 0 3 238.762 3.403 20 0 BGADHN c1csc(CCN2Cc3ccccc3C2)c1 ZINC000106303337 588264905 /nfs/dbraw/zinc/26/49/05/588264905.db2.gz KQRRJRPPSVQQOD-UHFFFAOYSA-N 0 3 229.348 3.306 20 0 BGADHN c1ccc2c(c1)CN(CC1CCCC1)C2 ZINC000106303748 385503822 /nfs/dbraw/zinc/50/38/22/385503822.db2.gz ZUOOVOOZOGYIAA-UHFFFAOYSA-N 0 3 201.313 3.192 20 0 BGADHN CC[C@H](O)CN(C)[C@@H](C)c1cc2ccccc2o1 ZINC000106380984 385506195 /nfs/dbraw/zinc/50/61/95/385506195.db2.gz YKRZMOFBQNKWDD-AAEUAGOBSA-N 0 3 247.338 3.197 20 0 BGADHN Cc1ccc2c(c1)[C@H](NCc1cccnc1)CC2 ZINC000106479684 384921876 /nfs/dbraw/zinc/92/18/76/384921876.db2.gz ZUNNWEGSJLOZFC-MRXNPFEDSA-N 0 3 238.334 3.167 20 0 BGADHN Cc1ccc2c(c1)[C@@H](NCc1cccnc1)CC2 ZINC000106479688 384921313 /nfs/dbraw/zinc/92/13/13/384921313.db2.gz ZUNNWEGSJLOZFC-INIZCTEOSA-N 0 3 238.334 3.167 20 0 BGADHN CCc1nc(CNCC(CC)CC)cs1 ZINC000106479851 385118877 /nfs/dbraw/zinc/11/88/77/385118877.db2.gz BSUCCRYOIHPBAS-UHFFFAOYSA-N 0 3 226.389 3.231 20 0 BGADHN CC(=O)CCN1CCC(c2ccccc2C)CC1 ZINC000106861577 188151988 /nfs/dbraw/zinc/15/19/88/188151988.db2.gz DYURBKQHPFSYQD-UHFFFAOYSA-N 0 3 245.366 3.154 20 0 BGADHN C[C@@H]1c2ccccc2CCN1C[C@@H]1CCCCO1 ZINC000106862334 385536918 /nfs/dbraw/zinc/53/69/18/385536918.db2.gz BLYUWNRDFSTKRZ-HIFRSBDPSA-N 0 3 245.366 3.175 20 0 BGADHN C[C@H]1c2ccccc2CCN1C[C@@H]1CCCCO1 ZINC000106862336 385535815 /nfs/dbraw/zinc/53/58/15/385535815.db2.gz BLYUWNRDFSTKRZ-ZFWWWQNUSA-N 0 3 245.366 3.175 20 0 BGADHN CCCN(C)[C@@H](C)c1sc(C)nc1C ZINC000106877253 169086723 /nfs/dbraw/zinc/08/67/23/169086723.db2.gz FVKYLLWTBOVJLA-VIFPVBQESA-N 0 3 212.362 3.163 20 0 BGADHN CCCN(C)[C@H](C)c1sc(C)nc1C ZINC000106877255 169085524 /nfs/dbraw/zinc/08/55/24/169085524.db2.gz FVKYLLWTBOVJLA-SECBINFHSA-N 0 3 212.362 3.163 20 0 BGADHN CN(Cc1ccc(C(C)(C)C)cc1)[C@@H]1CCOC1 ZINC000106879948 387983831 /nfs/dbraw/zinc/98/38/31/387983831.db2.gz FMPNXAJMGYDRID-OAHLLOKOSA-N 0 3 247.382 3.205 20 0 BGADHN CN(Cc1ccc(C(C)(C)C)cc1)[C@H]1CCOC1 ZINC000106879950 387983845 /nfs/dbraw/zinc/98/38/45/387983845.db2.gz FMPNXAJMGYDRID-HNNXBMFYSA-N 0 3 247.382 3.205 20 0 BGADHN CC(C)c1ccc(CN(C)[C@@H]2CCOC2)cc1 ZINC000106880990 384936367 /nfs/dbraw/zinc/93/63/67/384936367.db2.gz HSRIKNSCFLOONU-OAHLLOKOSA-N 0 3 233.355 3.031 20 0 BGADHN CC(C)c1ccc(CN(C)[C@H]2CCOC2)cc1 ZINC000106880992 384937501 /nfs/dbraw/zinc/93/75/01/384937501.db2.gz HSRIKNSCFLOONU-HNNXBMFYSA-N 0 3 233.355 3.031 20 0 BGADHN CN(Cc1csc2ccccc12)[C@@H]1CCOC1 ZINC000106881232 384935670 /nfs/dbraw/zinc/93/56/70/384935670.db2.gz JRZBDMRFNHUBON-GFCCVEGCSA-N 0 3 247.363 3.122 20 0 BGADHN CN(Cc1csc2ccccc12)[C@H]1CCOC1 ZINC000106881234 384935022 /nfs/dbraw/zinc/93/50/22/384935022.db2.gz JRZBDMRFNHUBON-LBPRGKRZSA-N 0 3 247.363 3.122 20 0 BGADHN CC(C)Cc1ccc(CN(C)[C@@H]2CCOC2)cc1 ZINC000106882207 384935501 /nfs/dbraw/zinc/93/55/01/384935501.db2.gz VXYKGIJMMWWJIA-MRXNPFEDSA-N 0 3 247.382 3.106 20 0 BGADHN CC(C)Cc1ccc(CN(C)[C@H]2CCOC2)cc1 ZINC000106882211 188167441 /nfs/dbraw/zinc/16/74/41/188167441.db2.gz VXYKGIJMMWWJIA-INIZCTEOSA-N 0 3 247.382 3.106 20 0 BGADHN CN(Cc1cccc2ccccc21)[C@@H]1CCOC1 ZINC000106886778 384942718 /nfs/dbraw/zinc/94/27/18/384942718.db2.gz ARAKRIGPRBTNKO-OAHLLOKOSA-N 0 3 241.334 3.061 20 0 BGADHN CN(Cc1cccc2ccccc21)[C@H]1CCOC1 ZINC000106886782 384941340 /nfs/dbraw/zinc/94/13/40/384941340.db2.gz ARAKRIGPRBTNKO-HNNXBMFYSA-N 0 3 241.334 3.061 20 0 BGADHN COc1ccnc(CN(C)C2CCCCCC2)c1 ZINC000106933367 384944657 /nfs/dbraw/zinc/94/46/57/384944657.db2.gz BGYJHOFPEIFHGF-UHFFFAOYSA-N 0 3 248.370 3.245 20 0 BGADHN CCN(Cc1cc(OC)ccn1)C1CCCCC1 ZINC000106933547 344478203 /nfs/dbraw/zinc/47/82/03/344478203.db2.gz ZWVQZXUXJOAHFE-UHFFFAOYSA-N 0 3 248.370 3.245 20 0 BGADHN COc1ccnc(CN(C)[C@H]2CCC[C@@H](C)C2)c1 ZINC000106933719 175358706 /nfs/dbraw/zinc/35/87/06/175358706.db2.gz SSTGUAAKFLSGNL-OCCSQVGLSA-N 0 3 248.370 3.101 20 0 BGADHN COc1ccnc(CN(C)[C@H]2CCC[C@H](C)C2)c1 ZINC000106933720 175358015 /nfs/dbraw/zinc/35/80/15/175358015.db2.gz SSTGUAAKFLSGNL-JSGCOSHPSA-N 0 3 248.370 3.101 20 0 BGADHN COc1ccnc(CN(C)[C@@H]2CCC[C@@H](C)C2)c1 ZINC000106933721 175358287 /nfs/dbraw/zinc/35/82/87/175358287.db2.gz SSTGUAAKFLSGNL-TZMCWYRMSA-N 0 3 248.370 3.101 20 0 BGADHN COc1ccnc(CN(C)[C@@H]2CCC[C@H](C)C2)c1 ZINC000106933724 175358619 /nfs/dbraw/zinc/35/86/19/175358619.db2.gz SSTGUAAKFLSGNL-GXTWGEPZSA-N 0 3 248.370 3.101 20 0 BGADHN Cl/C=C/CN1CCCc2ccccc2C1 ZINC000106937186 588316963 /nfs/dbraw/zinc/31/69/63/588316963.db2.gz FTHKWMNMMZJKLY-XBXARRHUSA-N 0 3 221.731 3.187 20 0 BGADHN CC(C)n1ccnc1CN(C)[C@H]1CCCC[C@H]1C ZINC000107298492 385560901 /nfs/dbraw/zinc/56/09/01/385560901.db2.gz XUSJOJQCPCQQPZ-KGLIPLIRSA-N 0 3 249.402 3.475 20 0 BGADHN CC(C)n1ccnc1CN(C)[C@H]1CCCC[C@@H]1C ZINC000107298494 385561077 /nfs/dbraw/zinc/56/10/77/385561077.db2.gz XUSJOJQCPCQQPZ-KBPBESRZSA-N 0 3 249.402 3.475 20 0 BGADHN CC(C)n1ccnc1CN(C)[C@@H]1CCCC[C@H]1C ZINC000107298497 385560860 /nfs/dbraw/zinc/56/08/60/385560860.db2.gz XUSJOJQCPCQQPZ-ZIAGYGMSSA-N 0 3 249.402 3.475 20 0 BGADHN CC(C)n1ccnc1CN(C)[C@@H]1CCCC[C@@H]1C ZINC000107298500 385561731 /nfs/dbraw/zinc/56/17/31/385561731.db2.gz XUSJOJQCPCQQPZ-UONOGXRCSA-N 0 3 249.402 3.475 20 0 BGADHN CC(C)C[C@@H]1CCCN1Cc1nccn1C(C)C ZINC000107300121 385562720 /nfs/dbraw/zinc/56/27/20/385562720.db2.gz NPEUFWFYZVVAKL-AWEZNQCLSA-N 0 3 249.402 3.475 20 0 BGADHN CC(C)C[C@H]1CCCN1Cc1nccn1C(C)C ZINC000107300122 385562338 /nfs/dbraw/zinc/56/23/38/385562338.db2.gz NPEUFWFYZVVAKL-CQSZACIVSA-N 0 3 249.402 3.475 20 0 BGADHN Cc1ncccc1CN[C@@H](C)c1ccccc1 ZINC000107318256 346658354 /nfs/dbraw/zinc/65/83/54/346658354.db2.gz FLCMCVQHORVJSX-LBPRGKRZSA-N 0 3 226.323 3.241 20 0 BGADHN Cc1ncccc1CN[C@H](C)c1ccccc1 ZINC000107318551 369342275 /nfs/dbraw/zinc/34/22/75/369342275.db2.gz FLCMCVQHORVJSX-GFCCVEGCSA-N 0 3 226.323 3.241 20 0 BGADHN Cc1n[nH]cc1CN[C@H](C)c1cc(C)cc(C)c1 ZINC000107319946 588346954 /nfs/dbraw/zinc/34/69/54/588346954.db2.gz JKHZDNCEXZLUPT-GFCCVEGCSA-N 0 3 243.354 3.186 20 0 BGADHN Cc1n[nH]cc1CN[C@@H](C)c1cc(C)cc(C)c1 ZINC000107319948 588347008 /nfs/dbraw/zinc/34/70/08/588347008.db2.gz JKHZDNCEXZLUPT-LBPRGKRZSA-N 0 3 243.354 3.186 20 0 BGADHN c1ccc(OCC2CC2)c(CNC2CCC2)c1 ZINC000107322847 385564955 /nfs/dbraw/zinc/56/49/55/385564955.db2.gz YVAFFZCGNBDSSE-UHFFFAOYSA-N 0 3 231.339 3.118 20 0 BGADHN CC[C@](C)(NCc1ccccn1)c1ccccc1 ZINC000107717627 588400742 /nfs/dbraw/zinc/40/07/42/588400742.db2.gz HLCOFGLGOVHSTD-INIZCTEOSA-N 0 3 240.350 3.497 20 0 BGADHN CC[C@@](C)(NCc1ccccn1)c1ccccc1 ZINC000107717630 588401025 /nfs/dbraw/zinc/40/10/25/588401025.db2.gz HLCOFGLGOVHSTD-MRXNPFEDSA-N 0 3 240.350 3.497 20 0 BGADHN CC[C@](C)(NCc1ccncc1)c1ccccc1 ZINC000107717746 588401001 /nfs/dbraw/zinc/40/10/01/588401001.db2.gz SBERZOUROKQVNR-INIZCTEOSA-N 0 3 240.350 3.497 20 0 BGADHN CC[C@@](C)(NCc1ccncc1)c1ccccc1 ZINC000107717751 588401086 /nfs/dbraw/zinc/40/10/86/588401086.db2.gz SBERZOUROKQVNR-MRXNPFEDSA-N 0 3 240.350 3.497 20 0 BGADHN CC[C@](C)(NCc1c[nH]nc1C)c1ccccc1 ZINC000107717974 588400855 /nfs/dbraw/zinc/40/08/55/588400855.db2.gz KBXYLYKADWVMJD-HNNXBMFYSA-N 0 3 243.354 3.133 20 0 BGADHN CC[C@@](C)(NCc1c[nH]nc1C)c1ccccc1 ZINC000107717978 588400767 /nfs/dbraw/zinc/40/07/67/588400767.db2.gz KBXYLYKADWVMJD-OAHLLOKOSA-N 0 3 243.354 3.133 20 0 BGADHN CC[C@](C)(NCc1cccnc1)c1ccccc1 ZINC000107718026 588400752 /nfs/dbraw/zinc/40/07/52/588400752.db2.gz OWIXZJUNTVILCK-INIZCTEOSA-N 0 3 240.350 3.497 20 0 BGADHN CC[C@@](C)(NCc1cccnc1)c1ccccc1 ZINC000107718030 588400747 /nfs/dbraw/zinc/40/07/47/588400747.db2.gz OWIXZJUNTVILCK-MRXNPFEDSA-N 0 3 240.350 3.497 20 0 BGADHN Fc1ccccc1CNCCCc1ccco1 ZINC000107787736 487576014 /nfs/dbraw/zinc/57/60/14/487576014.db2.gz XDRGIKKFYYAPOC-UHFFFAOYSA-N 0 3 233.286 3.141 20 0 BGADHN CCOCCN(CC)C/C=C/c1ccccc1 ZINC000107791621 170394674 /nfs/dbraw/zinc/39/46/74/170394674.db2.gz LSUXVGQAUNPFGN-DHZHZOJOSA-N 0 3 233.355 3.058 20 0 BGADHN c1ccc2c(c1)CN(CC1CCCCC1)CCO2 ZINC000108096323 369376698 /nfs/dbraw/zinc/37/66/98/369376698.db2.gz YCMOLZSWJBTSKG-UHFFFAOYSA-N 0 3 245.366 3.461 20 0 BGADHN Cc1cc(CN(C(C)C)C2CCCC2)no1 ZINC000108365358 385634869 /nfs/dbraw/zinc/63/48/69/385634869.db2.gz QHYQLRBYBZSWPO-UHFFFAOYSA-N 0 3 222.332 3.136 20 0 BGADHN CCCO[C@@H]1CCCN(C/C=C/Cl)CC1 ZINC000108493601 169311280 /nfs/dbraw/zinc/31/12/80/169311280.db2.gz AHYARIZXMJHEGF-RPTYSRGTSA-N 0 3 231.767 3.020 20 0 BGADHN CCCO[C@H]1CCCN(C/C=C/Cl)CC1 ZINC000108493603 169312420 /nfs/dbraw/zinc/31/24/20/169312420.db2.gz AHYARIZXMJHEGF-NTYUQYKDSA-N 0 3 231.767 3.020 20 0 BGADHN CCCN(Cc1noc2c1CCCC2)CC1CC1 ZINC000108917086 369415821 /nfs/dbraw/zinc/41/58/21/369415821.db2.gz OAXBLEMAKQHJQZ-UHFFFAOYSA-N 0 3 248.370 3.175 20 0 BGADHN c1ccc2c(c1)CC[C@@H]2NCCOC1CCCC1 ZINC000108942721 384804232 /nfs/dbraw/zinc/80/42/32/384804232.db2.gz YBWYYHNKDRNBDF-INIZCTEOSA-N 0 3 245.366 3.223 20 0 BGADHN c1ccc2c(c1)CC[C@H]2NCCOC1CCCC1 ZINC000108942722 384803747 /nfs/dbraw/zinc/80/37/47/384803747.db2.gz YBWYYHNKDRNBDF-MRXNPFEDSA-N 0 3 245.366 3.223 20 0 BGADHN CCCCCC[C@H](C)Nc1cc(C)nc(N)n1 ZINC000109119779 636401684 /nfs/dbraw/zinc/40/16/84/636401684.db2.gz PLTBGTGIXFIDJS-JTQLQIEISA-N 0 3 236.363 3.138 20 0 BGADHN Fc1cccc(CCCNCc2ccco2)c1 ZINC000109350963 385347022 /nfs/dbraw/zinc/34/70/22/385347022.db2.gz CFMXPMSIZCDKKO-UHFFFAOYSA-N 0 3 233.286 3.141 20 0 BGADHN Cc1ccc(CNCCCc2cccc(F)c2)o1 ZINC000109351000 385347921 /nfs/dbraw/zinc/34/79/21/385347921.db2.gz ICGLTDKUTJQZAH-UHFFFAOYSA-N 0 3 247.313 3.450 20 0 BGADHN C[C@H](N[C@@H]1CCOC1)c1ccc2c(c1)CCCC2 ZINC000109430397 385162483 /nfs/dbraw/zinc/16/24/83/385162483.db2.gz ZHSXFKHHOQRVIP-BLLLJJGKSA-N 0 3 245.366 3.005 20 0 BGADHN C[C@@H](N[C@@H]1CCOC1)c1ccc2c(c1)CCCC2 ZINC000109430400 385162573 /nfs/dbraw/zinc/16/25/73/385162573.db2.gz ZHSXFKHHOQRVIP-MLGOLLRUSA-N 0 3 245.366 3.005 20 0 BGADHN C[C@H](N[C@H]1CCOC1)c1ccc2c(c1)CCCC2 ZINC000109430401 385161889 /nfs/dbraw/zinc/16/18/89/385161889.db2.gz ZHSXFKHHOQRVIP-LRDDRELGSA-N 0 3 245.366 3.005 20 0 BGADHN C[C@@H](N[C@H]1CCOC1)c1ccc2c(c1)CCCC2 ZINC000109430405 385160709 /nfs/dbraw/zinc/16/07/09/385160709.db2.gz ZHSXFKHHOQRVIP-WBMJQRKESA-N 0 3 245.366 3.005 20 0 BGADHN C[C@H](N[C@@H]1CCCOC1)c1cc2ccccc2o1 ZINC000109543901 385174801 /nfs/dbraw/zinc/17/48/01/385174801.db2.gz FKFOFULYAMJHEJ-WCQYABFASA-N 0 3 245.322 3.262 20 0 BGADHN C[C@@H](N[C@@H]1CCCOC1)c1cc2ccccc2o1 ZINC000109543904 385173880 /nfs/dbraw/zinc/17/38/80/385173880.db2.gz FKFOFULYAMJHEJ-DGCLKSJQSA-N 0 3 245.322 3.262 20 0 BGADHN C[C@H](N[C@H]1CCCOC1)c1cc2ccccc2o1 ZINC000109543907 385173074 /nfs/dbraw/zinc/17/30/74/385173074.db2.gz FKFOFULYAMJHEJ-AAEUAGOBSA-N 0 3 245.322 3.262 20 0 BGADHN C[C@@H](N[C@H]1CCCOC1)c1cc2ccccc2o1 ZINC000109543909 385173603 /nfs/dbraw/zinc/17/36/03/385173603.db2.gz FKFOFULYAMJHEJ-YPMHNXCESA-N 0 3 245.322 3.262 20 0 BGADHN Cc1cc(N[C@@H]2CCCOC2)c2ccccc2n1 ZINC000109548296 188152299 /nfs/dbraw/zinc/15/22/99/188152299.db2.gz WDXJZQJBGUDMLN-GFCCVEGCSA-N 0 3 242.322 3.134 20 0 BGADHN Cc1cc(N[C@H]2CCCOC2)c2ccccc2n1 ZINC000109548298 178188711 /nfs/dbraw/zinc/18/87/11/178188711.db2.gz WDXJZQJBGUDMLN-LBPRGKRZSA-N 0 3 242.322 3.134 20 0 BGADHN CC(C)C[N@@H+](C)[C@@H](C)c1cccc([O-])c1 ZINC000109780960 346718835 /nfs/dbraw/zinc/71/88/35/346718835.db2.gz RSQMIFRFOYRFKI-NSHDSACASA-N 0 3 207.317 3.041 20 0 BGADHN CC(C)C[N@H+](C)[C@@H](C)c1cccc([O-])c1 ZINC000109780960 346718832 /nfs/dbraw/zinc/71/88/32/346718832.db2.gz RSQMIFRFOYRFKI-NSHDSACASA-N 0 3 207.317 3.041 20 0 BGADHN CC(C)C[N@@H+](C)[C@H](C)c1cccc([O-])c1 ZINC000109780963 346718962 /nfs/dbraw/zinc/71/89/62/346718962.db2.gz RSQMIFRFOYRFKI-LLVKDONJSA-N 0 3 207.317 3.041 20 0 BGADHN CC(C)C[N@H+](C)[C@H](C)c1cccc([O-])c1 ZINC000109780963 346718961 /nfs/dbraw/zinc/71/89/61/346718961.db2.gz RSQMIFRFOYRFKI-LLVKDONJSA-N 0 3 207.317 3.041 20 0 BGADHN CC1CCC(C)(NCc2cscn2)CC1 ZINC000109844993 168152214 /nfs/dbraw/zinc/15/22/14/168152214.db2.gz RJWRBYYQVZAHCG-UHFFFAOYSA-N 0 3 224.373 3.202 20 0 BGADHN CCCN1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000110032789 588606935 /nfs/dbraw/zinc/60/69/35/588606935.db2.gz BGLMEFZMRWEQHL-IPYPFGDCSA-N 0 3 233.355 3.247 20 0 BGADHN CN(Cc1ccco1)c1ccnc2ccccc21 ZINC000110113764 490104274 /nfs/dbraw/zinc/10/42/74/490104274.db2.gz INGIADUVLYYCFQ-UHFFFAOYSA-N 0 3 238.290 3.464 20 0 BGADHN CCOCCCCNc1ccnc2ccccc21 ZINC000110242849 170370659 /nfs/dbraw/zinc/37/06/59/170370659.db2.gz DRQBDCCWBWNTEL-UHFFFAOYSA-N 0 3 244.338 3.463 20 0 BGADHN C[C@@H]1CN(c2ccnc3ccccc32)CCS1 ZINC000110541036 385245831 /nfs/dbraw/zinc/24/58/31/385245831.db2.gz NQJHNSZGQYCYOS-LLVKDONJSA-N 0 3 244.363 3.177 20 0 BGADHN CC(C)(CNCc1nccs1)c1ccccc1 ZINC000110908248 488279458 /nfs/dbraw/zinc/27/94/58/488279458.db2.gz ZXAUGCXMIVRZNI-UHFFFAOYSA-N 0 3 246.379 3.211 20 0 BGADHN Cc1ccccc1C[C@@H](C)NCc1nccs1 ZINC000110908372 179288918 /nfs/dbraw/zinc/28/89/18/179288918.db2.gz RNUWPUJVQUJWET-GFCCVEGCSA-N 0 3 246.379 3.172 20 0 BGADHN Cc1ccccc1C[C@H](C)NCc1nccs1 ZINC000110908375 179290827 /nfs/dbraw/zinc/29/08/27/179290827.db2.gz RNUWPUJVQUJWET-LBPRGKRZSA-N 0 3 246.379 3.172 20 0 BGADHN c1csc(CNC23CC4CC(CC(C4)C2)C3)n1 ZINC000110922195 487808270 /nfs/dbraw/zinc/80/82/70/487808270.db2.gz DUIFOYRVCBNIMX-UHFFFAOYSA-N 0 3 248.395 3.202 20 0 BGADHN Cc1ccc(CNCCc2ccco2)cc1F ZINC000110975033 385499168 /nfs/dbraw/zinc/49/91/68/385499168.db2.gz DRCYUMXBHJEHDY-UHFFFAOYSA-N 0 3 233.286 3.059 20 0 BGADHN c1ccc2c(c1)nccc2NCC1CCOCC1 ZINC000111165466 183438074 /nfs/dbraw/zinc/43/80/74/183438074.db2.gz AMGSNJJQWOVIFJ-UHFFFAOYSA-N 0 3 242.322 3.073 20 0 BGADHN CCCN(Cc1ncc[nH]1)CC1CCCCC1 ZINC000111205649 169181990 /nfs/dbraw/zinc/18/19/90/169181990.db2.gz SFMYXPSVDUNMFT-UHFFFAOYSA-N 0 3 235.375 3.202 20 0 BGADHN CCCC(C)(C)NCc1nc2ccccc2n1C ZINC000111213749 383843953 /nfs/dbraw/zinc/84/39/53/383843953.db2.gz USMIVBQFVWVIEQ-UHFFFAOYSA-N 0 3 245.370 3.242 20 0 BGADHN CC(C)=CCN(C)[C@@H](C)c1cccc(O)c1 ZINC000111239529 385496475 /nfs/dbraw/zinc/49/64/75/385496475.db2.gz MJOUNDHUBKAITH-LBPRGKRZSA-N 0 3 219.328 3.351 20 0 BGADHN CC(C)=CCN(C)[C@H](C)c1cccc(O)c1 ZINC000111239531 385496700 /nfs/dbraw/zinc/49/67/00/385496700.db2.gz MJOUNDHUBKAITH-GFCCVEGCSA-N 0 3 219.328 3.351 20 0 BGADHN CC[C@@H](C)CN(C)Cc1nc2ccccc2o1 ZINC000111253515 383846417 /nfs/dbraw/zinc/84/64/17/383846417.db2.gz UJOHOZRVNZFCTB-LLVKDONJSA-N 0 3 232.327 3.306 20 0 BGADHN CC[C@H](C)CN(C)Cc1nc2ccccc2o1 ZINC000111253517 171275153 /nfs/dbraw/zinc/27/51/53/171275153.db2.gz UJOHOZRVNZFCTB-NSHDSACASA-N 0 3 232.327 3.306 20 0 BGADHN CC[C@@H](C)CN(C)Cc1nc2ccccc2n1C ZINC000111253831 383846017 /nfs/dbraw/zinc/84/60/17/383846017.db2.gz MMTMWRZAQFQMJG-GFCCVEGCSA-N 0 3 245.370 3.051 20 0 BGADHN CC[C@H](C)CN(C)Cc1nc2ccccc2n1C ZINC000111253833 171274603 /nfs/dbraw/zinc/27/46/03/171274603.db2.gz MMTMWRZAQFQMJG-LBPRGKRZSA-N 0 3 245.370 3.051 20 0 BGADHN CC[C@@H]1CN([C@@H](C)c2ccccc2)C[C@H](C)O1 ZINC000111273642 171094411 /nfs/dbraw/zinc/09/44/11/171094411.db2.gz RKPRUZDUUKOILB-KCQAQPDRSA-N 0 3 233.355 3.247 20 0 BGADHN CN(Cc1cc(F)ccc1F)CC1CCC1 ZINC000111296440 397907714 /nfs/dbraw/zinc/90/77/14/397907714.db2.gz UODMMTLYFCVSBO-UHFFFAOYSA-N 0 3 225.282 3.197 20 0 BGADHN CN(Cc1nc2ccccc2o1)CC1CCC1 ZINC000111296763 383851061 /nfs/dbraw/zinc/85/10/61/383851061.db2.gz ULOQNFMLYFLIHG-UHFFFAOYSA-N 0 3 230.311 3.060 20 0 BGADHN CN(Cc1ccccc1F)CC1CCC1 ZINC000111296846 397907723 /nfs/dbraw/zinc/90/77/23/397907723.db2.gz RIFKKXOVTTXHHV-UHFFFAOYSA-N 0 3 207.292 3.058 20 0 BGADHN CCOc1ccccc1CN(C)CC1CCC1 ZINC000111297657 385503073 /nfs/dbraw/zinc/50/30/73/385503073.db2.gz IBQYBHRXUUHBMG-UHFFFAOYSA-N 0 3 233.355 3.317 20 0 BGADHN CN(Cc1cccc(F)c1F)CC1CCC1 ZINC000111298768 383851811 /nfs/dbraw/zinc/85/18/11/383851811.db2.gz HXKCKPKXMZZSGK-UHFFFAOYSA-N 0 3 225.282 3.197 20 0 BGADHN CN(Cc1ccc(F)c(F)c1)CC1CCC1 ZINC000111299503 385502568 /nfs/dbraw/zinc/50/25/68/385502568.db2.gz WDDJUFXDIRSNOP-UHFFFAOYSA-N 0 3 225.282 3.197 20 0 BGADHN c1csc(CNCc2ccc3c(c2)COC3)c1 ZINC000111305841 385502533 /nfs/dbraw/zinc/50/25/33/385502533.db2.gz OYIWIQBXELAEBQ-UHFFFAOYSA-N 0 3 245.347 3.068 20 0 BGADHN CCCN(C)[C@@H]1CCCc2nc(C)sc21 ZINC000111313135 169086041 /nfs/dbraw/zinc/08/60/41/169086041.db2.gz GQFPYWJPJFEOCC-LLVKDONJSA-N 0 3 224.373 3.171 20 0 BGADHN CCCN(C)[C@H]1CCCc2nc(C)sc21 ZINC000111313137 169088438 /nfs/dbraw/zinc/08/84/38/169088438.db2.gz GQFPYWJPJFEOCC-NSHDSACASA-N 0 3 224.373 3.171 20 0 BGADHN CC(C)C[C@@H](C)NCc1nc2ccccc2n1C ZINC000111348007 383855323 /nfs/dbraw/zinc/85/53/23/383855323.db2.gz UFOJPNDPHWMLKE-GFCCVEGCSA-N 0 3 245.370 3.098 20 0 BGADHN CC(C)C[C@H](C)NCc1nc2ccccc2n1C ZINC000111348009 383854192 /nfs/dbraw/zinc/85/41/92/383854192.db2.gz UFOJPNDPHWMLKE-LBPRGKRZSA-N 0 3 245.370 3.098 20 0 BGADHN CCCC(C)(C)NCc1csc(C)n1 ZINC000111387396 383859520 /nfs/dbraw/zinc/85/95/20/383859520.db2.gz ZKQZTVSWSHGSAZ-UHFFFAOYSA-N 0 3 212.362 3.120 20 0 BGADHN c1coc(CNC[C@H]2CCc3ccccc32)c1 ZINC000111390356 397906112 /nfs/dbraw/zinc/90/61/12/397906112.db2.gz CQVBPRHXBUSGNN-CYBMUJFWSA-N 0 3 227.307 3.099 20 0 BGADHN c1coc(CNC[C@@H]2CCc3ccccc32)c1 ZINC000111390358 397905762 /nfs/dbraw/zinc/90/57/62/397905762.db2.gz CQVBPRHXBUSGNN-ZDUSSCGKSA-N 0 3 227.307 3.099 20 0 BGADHN Cc1ccc(CNC[C@@H]2CCc3ccccc32)o1 ZINC000111390845 397905733 /nfs/dbraw/zinc/90/57/33/397905733.db2.gz QYFDTWLWYRDWQH-AWEZNQCLSA-N 0 3 241.334 3.408 20 0 BGADHN Cc1ccc(CNC[C@H]2CCc3ccccc32)o1 ZINC000111390847 397905803 /nfs/dbraw/zinc/90/58/03/397905803.db2.gz QYFDTWLWYRDWQH-CQSZACIVSA-N 0 3 241.334 3.408 20 0 BGADHN c1nc(CNC[C@H]2C[C@H]2c2ccccc2)cs1 ZINC000111398515 397906255 /nfs/dbraw/zinc/90/62/55/397906255.db2.gz XNAIHZBXRVROFN-OCCSQVGLSA-N 0 3 244.363 3.036 20 0 BGADHN c1nc(CNC[C@H]2C[C@@H]2c2ccccc2)cs1 ZINC000111398517 183433445 /nfs/dbraw/zinc/43/34/45/183433445.db2.gz XNAIHZBXRVROFN-TZMCWYRMSA-N 0 3 244.363 3.036 20 0 BGADHN c1nc(CNC[C@@H]2C[C@H]2c2ccccc2)cs1 ZINC000111398518 383858920 /nfs/dbraw/zinc/85/89/20/383858920.db2.gz XNAIHZBXRVROFN-JSGCOSHPSA-N 0 3 244.363 3.036 20 0 BGADHN c1nc(CNC[C@@H]2C[C@@H]2c2ccccc2)cs1 ZINC000111398520 397906238 /nfs/dbraw/zinc/90/62/38/397906238.db2.gz XNAIHZBXRVROFN-GXTWGEPZSA-N 0 3 244.363 3.036 20 0 BGADHN Cc1ccc(CNC[C@@H]2C[C@@H]2c2ccccc2)o1 ZINC000111398782 397906287 /nfs/dbraw/zinc/90/62/87/397906287.db2.gz IFCYLKKSXQBUAK-GOEBONIOSA-N 0 3 241.334 3.481 20 0 BGADHN Cc1ccc(CNC[C@H]2C[C@@H]2c2ccccc2)o1 ZINC000111398784 178613459 /nfs/dbraw/zinc/61/34/59/178613459.db2.gz IFCYLKKSXQBUAK-GDBMZVCRSA-N 0 3 241.334 3.481 20 0 BGADHN Cc1ccc(CNC[C@@H]2C[C@H]2c2ccccc2)o1 ZINC000111398785 397906349 /nfs/dbraw/zinc/90/63/49/397906349.db2.gz IFCYLKKSXQBUAK-HOCLYGCPSA-N 0 3 241.334 3.481 20 0 BGADHN Cc1ccc(CNC[C@H]2C[C@H]2c2ccccc2)o1 ZINC000111398786 397906266 /nfs/dbraw/zinc/90/62/66/397906266.db2.gz IFCYLKKSXQBUAK-ZBFHGGJFSA-N 0 3 241.334 3.481 20 0 BGADHN C(=C/c1ccccc1)\CNCCOC1CCCC1 ZINC000111608252 385967969 /nfs/dbraw/zinc/96/79/69/385967969.db2.gz ZKIHEAKSLCEXSY-RMKNXTFCSA-N 0 3 245.366 3.249 20 0 BGADHN C[C@H](NCCOC1CCCC1)c1ccccc1 ZINC000111634279 385970529 /nfs/dbraw/zinc/97/05/29/385970529.db2.gz SXUWDYLNSROPKY-ZDUSSCGKSA-N 0 3 233.355 3.296 20 0 BGADHN C[C@@H](NCCOC1CCCC1)c1ccccc1 ZINC000111634281 385969660 /nfs/dbraw/zinc/96/96/60/385969660.db2.gz SXUWDYLNSROPKY-CYBMUJFWSA-N 0 3 233.355 3.296 20 0 BGADHN C[C@H](NCCOC1CCCCC1)c1ccncc1 ZINC000111636083 383874563 /nfs/dbraw/zinc/87/45/63/383874563.db2.gz AFMTVPUXYDFFIF-ZDUSSCGKSA-N 0 3 248.370 3.082 20 0 BGADHN C[C@@H](NCCOC1CCCCC1)c1ccncc1 ZINC000111636085 383874071 /nfs/dbraw/zinc/87/40/71/383874071.db2.gz AFMTVPUXYDFFIF-CYBMUJFWSA-N 0 3 248.370 3.082 20 0 BGADHN C[C@H](NCCOC1CCCCC1)c1cccnc1 ZINC000111636167 383872087 /nfs/dbraw/zinc/87/20/87/383872087.db2.gz RSVYLMHRRDAGKE-ZDUSSCGKSA-N 0 3 248.370 3.082 20 0 BGADHN C[C@@H](NCCOC1CCCCC1)c1cccnc1 ZINC000111636169 383872059 /nfs/dbraw/zinc/87/20/59/383872059.db2.gz RSVYLMHRRDAGKE-CYBMUJFWSA-N 0 3 248.370 3.082 20 0 BGADHN C[C@H](NCCOC1CCCCC1)c1ccccn1 ZINC000111636477 383872289 /nfs/dbraw/zinc/87/22/89/383872289.db2.gz NRIJUKGVAPUIJS-ZDUSSCGKSA-N 0 3 248.370 3.082 20 0 BGADHN C[C@@H](NCCOC1CCCCC1)c1ccccn1 ZINC000111636479 383874510 /nfs/dbraw/zinc/87/45/10/383874510.db2.gz NRIJUKGVAPUIJS-CYBMUJFWSA-N 0 3 248.370 3.082 20 0 BGADHN CC(=O)C1CCN(Cc2cc(C)cc(C)c2)CC1 ZINC000111690521 588767345 /nfs/dbraw/zinc/76/73/45/588767345.db2.gz XLWAWKJMMKREOH-UHFFFAOYSA-N 0 3 245.366 3.104 20 0 BGADHN CC(=O)C1CCN(Cc2cc(C)ccc2C)CC1 ZINC000111690657 588767507 /nfs/dbraw/zinc/76/75/07/588767507.db2.gz KKKCTDKXGCJGBM-UHFFFAOYSA-N 0 3 245.366 3.104 20 0 BGADHN CCc1ccc(CN2CCC(C(C)=O)CC2)cc1 ZINC000111690659 588767541 /nfs/dbraw/zinc/76/75/41/588767541.db2.gz VMSWERXBHSHCEA-UHFFFAOYSA-N 0 3 245.366 3.050 20 0 BGADHN CC(=O)C1CCN(Cc2ccc(C)c(C)c2)CC1 ZINC000111690819 588767511 /nfs/dbraw/zinc/76/75/11/588767511.db2.gz KOMSFAWUJFSNHZ-UHFFFAOYSA-N 0 3 245.366 3.104 20 0 BGADHN C[C@H](NCc1ccccc1CO)c1ccccc1 ZINC000111871661 323164439 /nfs/dbraw/zinc/16/44/39/323164439.db2.gz VGHDZNAWFMIDCJ-ZDUSSCGKSA-N 0 3 241.334 3.030 20 0 BGADHN C[C@@H](NCc1ccccc1CO)c1ccccc1 ZINC000111871662 323164482 /nfs/dbraw/zinc/16/44/82/323164482.db2.gz VGHDZNAWFMIDCJ-CYBMUJFWSA-N 0 3 241.334 3.030 20 0 BGADHN CC[C@H](Nc1cc(C)nc(N)n1)C1CCCCC1 ZINC000112013784 588780177 /nfs/dbraw/zinc/78/01/77/588780177.db2.gz NNGPBJBRLAYPQR-LBPRGKRZSA-N 0 3 248.374 3.138 20 0 BGADHN CC[C@@H](Nc1cc(C)nc(N)n1)C1CCCCC1 ZINC000112013786 588780158 /nfs/dbraw/zinc/78/01/58/588780158.db2.gz NNGPBJBRLAYPQR-GFCCVEGCSA-N 0 3 248.374 3.138 20 0 BGADHN CCN(Cc1cc(-c2ccco2)on1)CC1CC1 ZINC000112210676 344637314 /nfs/dbraw/zinc/63/73/14/344637314.db2.gz OIOKJCNRYHORHH-UHFFFAOYSA-N 0 3 246.310 3.167 20 0 BGADHN CCCCCCNCc1nn(C)c2ccccc12 ZINC000112337637 588794572 /nfs/dbraw/zinc/79/45/72/588794572.db2.gz KTPYPMOAMXEBLT-UHFFFAOYSA-N 0 3 245.370 3.243 20 0 BGADHN CCC[C@H](NCc1cncn1C)c1ccccc1 ZINC000112338791 383915928 /nfs/dbraw/zinc/91/59/28/383915928.db2.gz DCHPYYBCIOTDJK-HNNXBMFYSA-N 0 3 243.354 3.051 20 0 BGADHN CCC[C@@H](NCc1cncn1C)c1ccccc1 ZINC000112338792 383915522 /nfs/dbraw/zinc/91/55/22/383915522.db2.gz DCHPYYBCIOTDJK-OAHLLOKOSA-N 0 3 243.354 3.051 20 0 BGADHN CC(C)CCCNCc1nn(C)c2ccccc12 ZINC000112339989 370285694 /nfs/dbraw/zinc/28/56/94/370285694.db2.gz YAYOSIWGVKQJAZ-UHFFFAOYSA-N 0 3 245.370 3.099 20 0 BGADHN Cn1ccc(CN[C@H]2CCCC[C@H]2C(C)(C)C)n1 ZINC000112340307 323169265 /nfs/dbraw/zinc/16/92/65/323169265.db2.gz UGVZKTNRWHTRQJ-KGLIPLIRSA-N 0 3 249.402 3.115 20 0 BGADHN Cn1ccc(CN[C@H]2CCCC[C@@H]2C(C)(C)C)n1 ZINC000112340308 323169282 /nfs/dbraw/zinc/16/92/82/323169282.db2.gz UGVZKTNRWHTRQJ-KBPBESRZSA-N 0 3 249.402 3.115 20 0 BGADHN Cn1ccc(CN[C@@H]2CCCC[C@H]2C(C)(C)C)n1 ZINC000112340310 323169315 /nfs/dbraw/zinc/16/93/15/323169315.db2.gz UGVZKTNRWHTRQJ-ZIAGYGMSSA-N 0 3 249.402 3.115 20 0 BGADHN Cn1ccc(CN[C@@H]2CCCC[C@@H]2C(C)(C)C)n1 ZINC000112340312 323169317 /nfs/dbraw/zinc/16/93/17/323169317.db2.gz UGVZKTNRWHTRQJ-UONOGXRCSA-N 0 3 249.402 3.115 20 0 BGADHN CCN(C)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000112342439 387545613 /nfs/dbraw/zinc/54/56/13/387545613.db2.gz RKVXLESMYQOTBZ-HNNXBMFYSA-N 0 3 244.313 3.262 20 0 BGADHN CCN(C)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000112342444 387545292 /nfs/dbraw/zinc/54/52/92/387545292.db2.gz RKVXLESMYQOTBZ-OAHLLOKOSA-N 0 3 244.313 3.262 20 0 BGADHN CC[C@@H](C)[C@@H](C)NCc1nn(C)c2ccccc12 ZINC000112342817 370287503 /nfs/dbraw/zinc/28/75/03/370287503.db2.gz GFVXEWYLTIPDIZ-VXGBXAGGSA-N 0 3 245.370 3.098 20 0 BGADHN CC[C@H](C)[C@@H](C)NCc1nn(C)c2ccccc12 ZINC000112342819 370287160 /nfs/dbraw/zinc/28/71/60/370287160.db2.gz GFVXEWYLTIPDIZ-NWDGAFQWSA-N 0 3 245.370 3.098 20 0 BGADHN CC[C@@H](C)[C@H](C)NCc1nn(C)c2ccccc12 ZINC000112342822 370287627 /nfs/dbraw/zinc/28/76/27/370287627.db2.gz GFVXEWYLTIPDIZ-NEPJUHHUSA-N 0 3 245.370 3.098 20 0 BGADHN CC[C@H](C)[C@H](C)NCc1nn(C)c2ccccc12 ZINC000112342825 370287694 /nfs/dbraw/zinc/28/76/94/370287694.db2.gz GFVXEWYLTIPDIZ-RYUDHWBXSA-N 0 3 245.370 3.098 20 0 BGADHN Cn1ccc(CNC2CCC(C(C)(C)C)CC2)n1 ZINC000112344488 385839367 /nfs/dbraw/zinc/83/93/67/385839367.db2.gz DIKNENPNIOQTJI-UHFFFAOYSA-N 0 3 249.402 3.115 20 0 BGADHN CCc1nc(CN[C@@H](C)C(C)(C)C)cs1 ZINC000112375600 346888761 /nfs/dbraw/zinc/88/87/61/346888761.db2.gz TWDUEDFLQGHAIM-VIFPVBQESA-N 0 3 226.389 3.230 20 0 BGADHN CCc1nc(CN[C@H](C)C(C)(C)C)cs1 ZINC000112375603 346888588 /nfs/dbraw/zinc/88/85/88/346888588.db2.gz TWDUEDFLQGHAIM-SECBINFHSA-N 0 3 226.389 3.230 20 0 BGADHN C[C@@H](NCc1nc2ccccc2n1C)C(C)(C)C ZINC000112375784 411208124 /nfs/dbraw/zinc/20/81/24/411208124.db2.gz BWRWRONDUYKWNQ-LLVKDONJSA-N 0 3 245.370 3.098 20 0 BGADHN C[C@@H](NCc1cccnc1Cl)C(C)(C)C ZINC000112375827 588796014 /nfs/dbraw/zinc/79/60/14/588796014.db2.gz SACDONGFTXLHBI-SECBINFHSA-N 0 3 226.751 3.259 20 0 BGADHN C[C@@H](NCc1ccc(F)cc1F)C(C)(C)C ZINC000112375880 352753051 /nfs/dbraw/zinc/75/30/51/352753051.db2.gz YDSPWJMYLYLZBW-SECBINFHSA-N 0 3 227.298 3.489 20 0 BGADHN C[C@H](NCc1cc(F)ccc1F)C(C)(C)C ZINC000112375901 352752967 /nfs/dbraw/zinc/75/29/67/352752967.db2.gz NQEKYGOLCWYUQX-VIFPVBQESA-N 0 3 227.298 3.489 20 0 BGADHN C[C@@H](NCc1cc(F)ccc1F)C(C)(C)C ZINC000112375902 352753138 /nfs/dbraw/zinc/75/31/38/352753138.db2.gz NQEKYGOLCWYUQX-SECBINFHSA-N 0 3 227.298 3.489 20 0 BGADHN C[C@H](NCc1cccc(F)c1F)C(C)(C)C ZINC000112375953 370290198 /nfs/dbraw/zinc/29/01/98/370290198.db2.gz MRRHNUZPQKTWOG-VIFPVBQESA-N 0 3 227.298 3.489 20 0 BGADHN C[C@@H](NCc1cccc(F)c1F)C(C)(C)C ZINC000112375954 368871262 /nfs/dbraw/zinc/87/12/62/368871262.db2.gz MRRHNUZPQKTWOG-SECBINFHSA-N 0 3 227.298 3.489 20 0 BGADHN COCC1CCN(C/C=C/c2ccccc2)CC1 ZINC000112412151 174118929 /nfs/dbraw/zinc/11/89/29/174118929.db2.gz WXUDCZASCWCDQZ-VMPITWQZSA-N 0 3 245.366 3.058 20 0 BGADHN CC[C@@H](Cc1ccccc1)NCc1nccs1 ZINC000112466630 383925952 /nfs/dbraw/zinc/92/59/52/383925952.db2.gz VCRSLZNBKBTKPQ-ZDUSSCGKSA-N 0 3 246.379 3.254 20 0 BGADHN CC[C@H](Cc1ccccc1)NCc1nccs1 ZINC000112466633 383925973 /nfs/dbraw/zinc/92/59/73/383925973.db2.gz VCRSLZNBKBTKPQ-CYBMUJFWSA-N 0 3 246.379 3.254 20 0 BGADHN CC[C@@H](Cc1ccccc1)NCc1cscn1 ZINC000112466666 383926670 /nfs/dbraw/zinc/92/66/70/383926670.db2.gz BIIQJDYNHIPTRX-ZDUSSCGKSA-N 0 3 246.379 3.254 20 0 BGADHN CC[C@H](Cc1ccccc1)NCc1cscn1 ZINC000112466668 383925391 /nfs/dbraw/zinc/92/53/91/383925391.db2.gz BIIQJDYNHIPTRX-CYBMUJFWSA-N 0 3 246.379 3.254 20 0 BGADHN CC[C@@H](Cc1ccccc1)NCc1ccco1 ZINC000112466759 170857082 /nfs/dbraw/zinc/85/70/82/170857082.db2.gz NJHOTKPSSOZPLW-AWEZNQCLSA-N 0 3 229.323 3.391 20 0 BGADHN CC[C@H](Cc1ccccc1)NCc1ccco1 ZINC000112466761 588799130 /nfs/dbraw/zinc/79/91/30/588799130.db2.gz NJHOTKPSSOZPLW-CQSZACIVSA-N 0 3 229.323 3.391 20 0 BGADHN COCCCCCN[C@@H](C)c1ccccc1F ZINC000112537837 174183494 /nfs/dbraw/zinc/18/34/94/174183494.db2.gz SFQASJYRCZRNQF-LBPRGKRZSA-N 0 3 239.334 3.293 20 0 BGADHN COCCCCCN[C@H](C)c1ccccc1F ZINC000112537838 174184082 /nfs/dbraw/zinc/18/40/82/174184082.db2.gz SFQASJYRCZRNQF-GFCCVEGCSA-N 0 3 239.334 3.293 20 0 BGADHN C[C@H](NCCSC(C)(C)C)c1cccnc1 ZINC000112542273 398332337 /nfs/dbraw/zinc/33/23/37/398332337.db2.gz KDRDHMNOWMBBAI-NSHDSACASA-N 0 3 238.400 3.264 20 0 BGADHN C[C@@H](NCCSC(C)(C)C)c1cccnc1 ZINC000112542274 398332400 /nfs/dbraw/zinc/33/24/00/398332400.db2.gz KDRDHMNOWMBBAI-LLVKDONJSA-N 0 3 238.400 3.264 20 0 BGADHN CC(C)CN1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000112585855 588804465 /nfs/dbraw/zinc/80/44/65/588804465.db2.gz WDLNORMZOZBYHM-YCPHGPKFSA-N 0 3 247.382 3.493 20 0 BGADHN CC(C)CN1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000112585860 588804469 /nfs/dbraw/zinc/80/44/69/588804469.db2.gz WDLNORMZOZBYHM-IJEWVQPXSA-N 0 3 247.382 3.493 20 0 BGADHN C[C@@H]1[C@H](C)SCCN1Cc1ccc(F)cc1 ZINC000112644855 385849118 /nfs/dbraw/zinc/84/91/18/385849118.db2.gz IECBXTZULUZWGH-MNOVXSKESA-N 0 3 239.359 3.152 20 0 BGADHN C[C@@H]1SCCN(Cc2ccc(F)cc2)[C@H]1C ZINC000112644856 385848168 /nfs/dbraw/zinc/84/81/68/385848168.db2.gz IECBXTZULUZWGH-QWRGUYRKSA-N 0 3 239.359 3.152 20 0 BGADHN C[C@H]1SCCN(Cc2ccc(F)cc2)[C@@H]1C ZINC000112644858 385848477 /nfs/dbraw/zinc/84/84/77/385848477.db2.gz IECBXTZULUZWGH-GHMZBOCLSA-N 0 3 239.359 3.152 20 0 BGADHN C[C@H]1SCCN(Cc2ccc(F)cc2)[C@H]1C ZINC000112644860 385848863 /nfs/dbraw/zinc/84/88/63/385848863.db2.gz IECBXTZULUZWGH-WDEREUQCSA-N 0 3 239.359 3.152 20 0 BGADHN CC(C)[C@@H]1CCCC[C@@H]1NCc1nccs1 ZINC000112675574 323171431 /nfs/dbraw/zinc/17/14/31/323171431.db2.gz XEUGMUDYMBADJK-RYUDHWBXSA-N 0 3 238.400 3.448 20 0 BGADHN CC(C)[C@H]1CCCC[C@@H]1NCc1nccs1 ZINC000112675577 323171429 /nfs/dbraw/zinc/17/14/29/323171429.db2.gz XEUGMUDYMBADJK-NEPJUHHUSA-N 0 3 238.400 3.448 20 0 BGADHN CC(C)[C@@H]1CCCC[C@H]1NCc1nccs1 ZINC000112675580 323171498 /nfs/dbraw/zinc/17/14/98/323171498.db2.gz XEUGMUDYMBADJK-NWDGAFQWSA-N 0 3 238.400 3.448 20 0 BGADHN CC(C)[C@H]1CCCC[C@H]1NCc1nccs1 ZINC000112675582 323171506 /nfs/dbraw/zinc/17/15/06/323171506.db2.gz XEUGMUDYMBADJK-VXGBXAGGSA-N 0 3 238.400 3.448 20 0 BGADHN CC(C)[C@@H]1CCCC[C@@H]1NCc1cscn1 ZINC000112675730 323171451 /nfs/dbraw/zinc/17/14/51/323171451.db2.gz MDSAVWJIOGSYEG-STQMWFEESA-N 0 3 238.400 3.448 20 0 BGADHN CC(C)[C@H]1CCCC[C@@H]1NCc1cscn1 ZINC000112675733 323171527 /nfs/dbraw/zinc/17/15/27/323171527.db2.gz MDSAVWJIOGSYEG-OLZOCXBDSA-N 0 3 238.400 3.448 20 0 BGADHN CC(C)[C@@H]1CCCC[C@H]1NCc1cscn1 ZINC000112675735 323171485 /nfs/dbraw/zinc/17/14/85/323171485.db2.gz MDSAVWJIOGSYEG-QWHCGFSZSA-N 0 3 238.400 3.448 20 0 BGADHN CC(C)[C@H]1CCCC[C@H]1NCc1cscn1 ZINC000112675737 323171461 /nfs/dbraw/zinc/17/14/61/323171461.db2.gz MDSAVWJIOGSYEG-CHWSQXEVSA-N 0 3 238.400 3.448 20 0 BGADHN COCCN(CCC(C)(C)C)Cc1ccco1 ZINC000112696933 174289461 /nfs/dbraw/zinc/28/94/61/174289461.db2.gz XVSDYPQCPDQSHS-UHFFFAOYSA-N 0 3 239.359 3.164 20 0 BGADHN Cc1noc(C)c1CN(C)CCC(C)(C)C ZINC000112696948 370345933 /nfs/dbraw/zinc/34/59/33/370345933.db2.gz UIODSGMWGRPNLI-UHFFFAOYSA-N 0 3 224.348 3.159 20 0 BGADHN CC(C)(C)CCN1Cc2ccccc2C1 ZINC000112697979 166566293 /nfs/dbraw/zinc/56/62/93/166566293.db2.gz OEMTVILLTOUYQW-UHFFFAOYSA-N 0 3 203.329 3.438 20 0 BGADHN Cc1ncc(CN2CCCC(C)(C)C2)s1 ZINC000112701859 180142449 /nfs/dbraw/zinc/14/24/49/180142449.db2.gz MFRFZJQDPCRFTR-UHFFFAOYSA-N 0 3 224.373 3.074 20 0 BGADHN Cc1csc(C2(NCC3CC3)CCCC2)n1 ZINC000112711191 385864878 /nfs/dbraw/zinc/86/48/78/385864878.db2.gz OAEQEVRNQLLAEZ-UHFFFAOYSA-N 0 3 236.384 3.220 20 0 BGADHN Cc1ccc([O-])c(C[NH2+]CCC2CCCCC2)n1 ZINC000112716490 645512997 /nfs/dbraw/zinc/51/29/97/645512997.db2.gz UHUWCEROCACIQE-UHFFFAOYSA-N 0 3 248.370 3.156 20 0 BGADHN Cc1ccc([O-])c(C[NH2+]CC2CCC(C)CC2)n1 ZINC000112716802 645512693 /nfs/dbraw/zinc/51/26/93/645512693.db2.gz KLDUXLJOURGDMM-UHFFFAOYSA-N 0 3 248.370 3.012 20 0 BGADHN Cc1ccc([O-])c(C[NH2+]C[C@@H]2CCCC[C@@H]2C)n1 ZINC000112716830 188364385 /nfs/dbraw/zinc/36/43/85/188364385.db2.gz YSKKKPWOVFCCTA-AAEUAGOBSA-N 0 3 248.370 3.012 20 0 BGADHN Cc1ccc([O-])c(C[NH2+]C[C@H]2CCCC[C@@H]2C)n1 ZINC000112716832 187326040 /nfs/dbraw/zinc/32/60/40/187326040.db2.gz YSKKKPWOVFCCTA-WCQYABFASA-N 0 3 248.370 3.012 20 0 BGADHN Cc1ccc([O-])c(C[NH2+]C[C@@H]2CCCC[C@H]2C)n1 ZINC000112716833 191141182 /nfs/dbraw/zinc/14/11/82/191141182.db2.gz YSKKKPWOVFCCTA-YPMHNXCESA-N 0 3 248.370 3.012 20 0 BGADHN Cc1ccc([O-])c(C[NH2+]C[C@H]2CCCC[C@H]2C)n1 ZINC000112716835 188363726 /nfs/dbraw/zinc/36/37/26/188363726.db2.gz YSKKKPWOVFCCTA-DGCLKSJQSA-N 0 3 248.370 3.012 20 0 BGADHN CC(C)Cc1ccc([C@@H](C)N[C@@H]2CCOC2)cc1 ZINC000112758675 188233581 /nfs/dbraw/zinc/23/35/81/188233581.db2.gz NKANNDVWMIWZQV-CZUORRHYSA-N 0 3 247.382 3.325 20 0 BGADHN CC(C)Cc1ccc([C@H](C)N[C@@H]2CCOC2)cc1 ZINC000112758676 411219565 /nfs/dbraw/zinc/21/95/65/411219565.db2.gz NKANNDVWMIWZQV-XJKSGUPXSA-N 0 3 247.382 3.325 20 0 BGADHN CC(C)Cc1ccc([C@@H](C)N[C@H]2CCOC2)cc1 ZINC000112758678 588815335 /nfs/dbraw/zinc/81/53/35/588815335.db2.gz NKANNDVWMIWZQV-CJNGLKHVSA-N 0 3 247.382 3.325 20 0 BGADHN CC(C)Cc1ccc([C@H](C)N[C@H]2CCOC2)cc1 ZINC000112758680 187286630 /nfs/dbraw/zinc/28/66/30/187286630.db2.gz NKANNDVWMIWZQV-BBRMVZONSA-N 0 3 247.382 3.325 20 0 BGADHN CC(C)c1ccc([C@@H](C)N[C@@H]2CCOC2)cc1 ZINC000112758874 383949330 /nfs/dbraw/zinc/94/93/30/383949330.db2.gz PKVJKBKTTGGPET-IUODEOHRSA-N 0 3 233.355 3.250 20 0 BGADHN CC(C)c1ccc([C@H](C)N[C@@H]2CCOC2)cc1 ZINC000112758876 383950066 /nfs/dbraw/zinc/95/00/66/383950066.db2.gz PKVJKBKTTGGPET-SWLSCSKDSA-N 0 3 233.355 3.250 20 0 BGADHN CC(C)c1ccc([C@@H](C)N[C@H]2CCOC2)cc1 ZINC000112758878 383949265 /nfs/dbraw/zinc/94/92/65/383949265.db2.gz PKVJKBKTTGGPET-DOMZBBRYSA-N 0 3 233.355 3.250 20 0 BGADHN CC(C)c1ccc([C@H](C)N[C@H]2CCOC2)cc1 ZINC000112758879 167619743 /nfs/dbraw/zinc/61/97/43/167619743.db2.gz PKVJKBKTTGGPET-WFASDCNBSA-N 0 3 233.355 3.250 20 0 BGADHN CCC[C@@H](CC)NCc1nn(C)c2ccccc12 ZINC000112838076 370358091 /nfs/dbraw/zinc/35/80/91/370358091.db2.gz NNSSYPZQOIBACI-GFCCVEGCSA-N 0 3 245.370 3.242 20 0 BGADHN CCC[C@H](CC)NCc1nn(C)c2ccccc12 ZINC000112838078 370359966 /nfs/dbraw/zinc/35/99/66/370359966.db2.gz NNSSYPZQOIBACI-LBPRGKRZSA-N 0 3 245.370 3.242 20 0 BGADHN Cc1cccc(CN2CCC(F)(F)CC2)c1 ZINC000112939710 487549088 /nfs/dbraw/zinc/54/90/88/487549088.db2.gz NPPHPDNCGNHJFZ-UHFFFAOYSA-N 0 3 225.282 3.226 20 0 BGADHN Cc1ccc(CN2CCC(F)(F)CC2)cc1 ZINC000112940213 487548855 /nfs/dbraw/zinc/54/88/55/487548855.db2.gz YGRXXRLNNNNPHO-UHFFFAOYSA-N 0 3 225.282 3.226 20 0 BGADHN CC(=O)CCN1CCC[C@@](C)(c2ccccc2)C1 ZINC000113264832 383972603 /nfs/dbraw/zinc/97/26/03/383972603.db2.gz JAPAZGKXPCZVTK-MRXNPFEDSA-N 0 3 245.366 3.019 20 0 BGADHN CC(=O)CCN1CCC[C@](C)(c2ccccc2)C1 ZINC000113264834 383972640 /nfs/dbraw/zinc/97/26/40/383972640.db2.gz JAPAZGKXPCZVTK-INIZCTEOSA-N 0 3 245.366 3.019 20 0 BGADHN CC(C)NCc1cc(-c2ccccn2)ccc1F ZINC000113300316 588830830 /nfs/dbraw/zinc/83/08/30/588830830.db2.gz TZJIJIDBZKXUHA-UHFFFAOYSA-N 0 3 244.313 3.386 20 0 BGADHN Fc1ccc(-c2ccccn2)cc1CNC1CC1 ZINC000113300329 588830863 /nfs/dbraw/zinc/83/08/63/588830863.db2.gz QBMROZHHLGUMBJ-UHFFFAOYSA-N 0 3 242.297 3.140 20 0 BGADHN Cc1ccc2c(c1)[C@H](NCc1ccncc1)CC2 ZINC000113310637 370399814 /nfs/dbraw/zinc/39/98/14/370399814.db2.gz WTXGVIUWPBMRPB-MRXNPFEDSA-N 0 3 238.334 3.167 20 0 BGADHN Cc1ccc2c(c1)[C@@H](NCc1ccncc1)CC2 ZINC000113310640 370399642 /nfs/dbraw/zinc/39/96/42/370399642.db2.gz WTXGVIUWPBMRPB-INIZCTEOSA-N 0 3 238.334 3.167 20 0 BGADHN CCCCNCc1csc(C(C)(C)C)n1 ZINC000113311636 323187094 /nfs/dbraw/zinc/18/70/94/323187094.db2.gz PTTPXZBVZRKNNH-UHFFFAOYSA-N 0 3 226.389 3.330 20 0 BGADHN CCC(C)(C)NCc1csc(C2CC2)n1 ZINC000113331767 346917112 /nfs/dbraw/zinc/91/71/12/346917112.db2.gz XFOOQOKHFSHBQZ-UHFFFAOYSA-N 0 3 224.373 3.299 20 0 BGADHN C[C@@H]1CCC[C@@H]1NCc1csc(C2CC2)n1 ZINC000113338079 346917446 /nfs/dbraw/zinc/91/74/46/346917446.db2.gz NJAQEOKWITXJTF-SKDRFNHKSA-N 0 3 236.384 3.299 20 0 BGADHN C[C@H]1CCC[C@@H]1NCc1csc(C2CC2)n1 ZINC000113338081 346917090 /nfs/dbraw/zinc/91/70/90/346917090.db2.gz NJAQEOKWITXJTF-CABZTGNLSA-N 0 3 236.384 3.299 20 0 BGADHN C[C@@H]1CCC[C@H]1NCc1csc(C2CC2)n1 ZINC000113338082 346917311 /nfs/dbraw/zinc/91/73/11/346917311.db2.gz NJAQEOKWITXJTF-BXKDBHETSA-N 0 3 236.384 3.299 20 0 BGADHN C[C@H]1CCC[C@H]1NCc1csc(C2CC2)n1 ZINC000113338085 346917611 /nfs/dbraw/zinc/91/76/11/346917611.db2.gz NJAQEOKWITXJTF-JOYOIKCWSA-N 0 3 236.384 3.299 20 0 BGADHN CCN(CC)CC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000113684298 370453603 /nfs/dbraw/zinc/45/36/03/370453603.db2.gz FIYDWZKQZRHLPL-UHFFFAOYSA-N 0 3 249.398 3.114 20 0 BGADHN Fc1ccc([C@H]2CCCN2C[C@H]2CCCO2)cc1 ZINC000113866757 345674296 /nfs/dbraw/zinc/67/42/96/345674296.db2.gz LVQFYERGEKADJD-HUUCEWRRSA-N 0 3 249.329 3.142 20 0 BGADHN CCC(=O)CCN(Cc1ccccc1)C(C)C ZINC000114060476 588865660 /nfs/dbraw/zinc/86/56/60/588865660.db2.gz LEERTZIWXUCNBD-UHFFFAOYSA-N 0 3 233.355 3.266 20 0 BGADHN C[C@@H](NCc1nc2ccccc2o1)C(C)(C)C ZINC000114196805 368930466 /nfs/dbraw/zinc/93/04/66/368930466.db2.gz MHSMNSJEXHFPBE-SNVBAGLBSA-N 0 3 232.327 3.352 20 0 BGADHN COCCCCN1CC=C(c2ccccc2)CC1 ZINC000114205389 174190844 /nfs/dbraw/zinc/19/08/44/174190844.db2.gz RLWIRTRALRINLQ-UHFFFAOYSA-N 0 3 245.366 3.202 20 0 BGADHN COCCCCN(C)Cc1ccccc1Cl ZINC000114205498 174188255 /nfs/dbraw/zinc/18/82/55/174188255.db2.gz HOUSTAFICHMJCL-UHFFFAOYSA-N 0 3 241.762 3.198 20 0 BGADHN COCCCCN(C)[C@@H](C)c1ccccc1F ZINC000114207586 174188599 /nfs/dbraw/zinc/18/85/99/174188599.db2.gz RWRGTFPFQRSMHH-LBPRGKRZSA-N 0 3 239.334 3.245 20 0 BGADHN COCCCCN(C)[C@H](C)c1ccccc1F ZINC000114207589 174188498 /nfs/dbraw/zinc/18/84/98/174188498.db2.gz RWRGTFPFQRSMHH-GFCCVEGCSA-N 0 3 239.334 3.245 20 0 BGADHN C[C@@H](NCc1noc2c1CCCC2)C(C)(C)C ZINC000114474881 411264147 /nfs/dbraw/zinc/26/41/47/411264147.db2.gz YSTOUZAGWLBJPV-SNVBAGLBSA-N 0 3 236.359 3.078 20 0 BGADHN c1cncc(CN2CCC[C@@]3(CC=CCC3)C2)c1 ZINC000114493602 387546407 /nfs/dbraw/zinc/54/64/07/387546407.db2.gz YHLBLYXDZRKJFP-INIZCTEOSA-N 0 3 242.366 3.404 20 0 BGADHN c1cncc(CN2CCC[C@]3(CC=CCC3)C2)c1 ZINC000114493604 387547071 /nfs/dbraw/zinc/54/70/71/387547071.db2.gz YHLBLYXDZRKJFP-MRXNPFEDSA-N 0 3 242.366 3.404 20 0 BGADHN Cc1cc(CNCc2ccccc2C)c(C)o1 ZINC000114504988 588874819 /nfs/dbraw/zinc/87/48/19/588874819.db2.gz INFGSAGYHTUWKF-UHFFFAOYSA-N 0 3 229.323 3.495 20 0 BGADHN CN(C/C=C/Cl)[C@@H]1CCc2ccccc2C1 ZINC000114563339 588876091 /nfs/dbraw/zinc/87/60/91/588876091.db2.gz XLYFRXDIGGYYKJ-CEOUIICOSA-N 0 3 235.758 3.228 20 0 BGADHN CN(C/C=C/Cl)[C@H]1CCc2ccccc2C1 ZINC000114563341 588876006 /nfs/dbraw/zinc/87/60/06/588876006.db2.gz XLYFRXDIGGYYKJ-MDDUGHTDSA-N 0 3 235.758 3.228 20 0 BGADHN CC(=O)CCN(C)Cc1ccc(C(C)(C)C)cc1 ZINC000114611463 642963283 /nfs/dbraw/zinc/96/32/83/642963283.db2.gz PHGFZDCEIZNOAD-UHFFFAOYSA-N 0 3 247.382 3.395 20 0 BGADHN CC1CN(Cc2ccc(C(C)(C)C)cc2)C1 ZINC000114612325 344424328 /nfs/dbraw/zinc/42/43/28/344424328.db2.gz NKAOIKWNZWIADT-UHFFFAOYSA-N 0 3 217.356 3.436 20 0 BGADHN CC(C)(C)C[C@@H]1CCN(Cc2cccnc2)C1 ZINC000114623080 345675507 /nfs/dbraw/zinc/67/55/07/345675507.db2.gz XYLCPTLSQIKBCK-ZDUSSCGKSA-N 0 3 232.371 3.340 20 0 BGADHN CC(C)(C)C[C@H]1CCN(Cc2cccnc2)C1 ZINC000114623082 345675294 /nfs/dbraw/zinc/67/52/94/345675294.db2.gz XYLCPTLSQIKBCK-CYBMUJFWSA-N 0 3 232.371 3.340 20 0 BGADHN CC(C)(C)C[C@@H]1CCN(Cc2ccccn2)C1 ZINC000114623085 345675345 /nfs/dbraw/zinc/67/53/45/345675345.db2.gz FYQKEPLNTVUHGH-ZDUSSCGKSA-N 0 3 232.371 3.340 20 0 BGADHN CC(C)(C)C[C@H]1CCN(Cc2ccccn2)C1 ZINC000114623086 345675335 /nfs/dbraw/zinc/67/53/35/345675335.db2.gz FYQKEPLNTVUHGH-CYBMUJFWSA-N 0 3 232.371 3.340 20 0 BGADHN Cc1cccc(C)c1CN1CCC[C@@H](F)C1 ZINC000114630733 368945829 /nfs/dbraw/zinc/94/58/29/368945829.db2.gz FFKMPVBBHZNZGT-CYBMUJFWSA-N 0 3 221.319 3.237 20 0 BGADHN CC(C)[C@@H]1CCCN(Cc2ccccn2)CC1 ZINC000114729741 387074322 /nfs/dbraw/zinc/07/43/22/387074322.db2.gz ZYQBNCOKBJXWHL-CQSZACIVSA-N 0 3 232.371 3.340 20 0 BGADHN CC(C)[C@H]1CCCN(Cc2ccccn2)CC1 ZINC000114729743 387074637 /nfs/dbraw/zinc/07/46/37/387074637.db2.gz ZYQBNCOKBJXWHL-AWEZNQCLSA-N 0 3 232.371 3.340 20 0 BGADHN CC(=O)CCN1CCC[C@H]1c1ccc(C)s1 ZINC000114733100 187230209 /nfs/dbraw/zinc/23/02/09/187230209.db2.gz JICSJTCTRCVTKU-LBPRGKRZSA-N 0 3 237.368 3.173 20 0 BGADHN CC(=O)CCN1CCC[C@@H]1c1ccc(C)s1 ZINC000114733102 387547503 /nfs/dbraw/zinc/54/75/03/387547503.db2.gz JICSJTCTRCVTKU-GFCCVEGCSA-N 0 3 237.368 3.173 20 0 BGADHN CCCN1CCSC[C@@H]1c1ccccc1 ZINC000115560458 169204313 /nfs/dbraw/zinc/20/43/13/169204313.db2.gz KXAMDTRCQRSRTR-CYBMUJFWSA-N 0 3 221.369 3.187 20 0 BGADHN CCCN1CCSC[C@H]1c1ccccc1 ZINC000115560461 169205933 /nfs/dbraw/zinc/20/59/33/169205933.db2.gz KXAMDTRCQRSRTR-ZDUSSCGKSA-N 0 3 221.369 3.187 20 0 BGADHN C[C@@H](CCC1CCCCC1)NCc1ncc[nH]1 ZINC000115626555 387730355 /nfs/dbraw/zinc/73/03/55/387730355.db2.gz XBJJABVZQPVRAR-LBPRGKRZSA-N 0 3 235.375 3.248 20 0 BGADHN C[C@H](CCC1CCCCC1)NCc1ncc[nH]1 ZINC000115626557 387731466 /nfs/dbraw/zinc/73/14/66/387731466.db2.gz XBJJABVZQPVRAR-GFCCVEGCSA-N 0 3 235.375 3.248 20 0 BGADHN CC(C)CC[C@H](NCc1cc[nH]n1)C(C)(C)C ZINC000115627182 369004049 /nfs/dbraw/zinc/00/40/49/369004049.db2.gz ZNQXOHQZCFVGKV-ZDUSSCGKSA-N 0 3 237.391 3.350 20 0 BGADHN CC(C)CC[C@@H](NCc1cc[nH]n1)C(C)(C)C ZINC000115627185 344712855 /nfs/dbraw/zinc/71/28/55/344712855.db2.gz ZNQXOHQZCFVGKV-CYBMUJFWSA-N 0 3 237.391 3.350 20 0 BGADHN CC(C)CC[C@H](NCc1ncc[nH]1)C(C)(C)C ZINC000115627221 356956520 /nfs/dbraw/zinc/95/65/20/356956520.db2.gz VWZRQYSKUMOGPT-LBPRGKRZSA-N 0 3 237.391 3.350 20 0 BGADHN CC(C)CC[C@@H](NCc1ncc[nH]1)C(C)(C)C ZINC000115627224 387731089 /nfs/dbraw/zinc/73/10/89/387731089.db2.gz VWZRQYSKUMOGPT-GFCCVEGCSA-N 0 3 237.391 3.350 20 0 BGADHN Cc1n[nH]cc1CN[C@H](C)c1cccc(C)c1C ZINC000115630165 179182244 /nfs/dbraw/zinc/18/22/44/179182244.db2.gz KHTYDMVZDNLBCR-CYBMUJFWSA-N 0 3 243.354 3.186 20 0 BGADHN Cc1n[nH]cc1CN[C@@H](C)c1cccc(C)c1C ZINC000115630167 179196168 /nfs/dbraw/zinc/19/61/68/179196168.db2.gz KHTYDMVZDNLBCR-ZDUSSCGKSA-N 0 3 243.354 3.186 20 0 BGADHN Cn1cc(CN2CCC[C@@H](C(C)(C)C)CC2)cn1 ZINC000116308456 386941911 /nfs/dbraw/zinc/94/19/11/386941911.db2.gz NEBCXHNQQKJYKY-CQSZACIVSA-N 0 3 249.402 3.068 20 0 BGADHN Cn1cc(CN2CCC[C@H](C(C)(C)C)CC2)cn1 ZINC000116308459 386941775 /nfs/dbraw/zinc/94/17/75/386941775.db2.gz NEBCXHNQQKJYKY-AWEZNQCLSA-N 0 3 249.402 3.068 20 0 BGADHN CCN1CCSC[C@@H]1c1ccc(C)cc1 ZINC000116324400 170006521 /nfs/dbraw/zinc/00/65/21/170006521.db2.gz MVENTUDHBNXOGZ-CYBMUJFWSA-N 0 3 221.369 3.105 20 0 BGADHN CCN1CCSC[C@H]1c1ccc(C)cc1 ZINC000116324405 170006340 /nfs/dbraw/zinc/00/63/40/170006340.db2.gz MVENTUDHBNXOGZ-ZDUSSCGKSA-N 0 3 221.369 3.105 20 0 BGADHN CC1CCC(C)(NCc2ccco2)CC1 ZINC000116341527 168151439 /nfs/dbraw/zinc/15/14/39/168151439.db2.gz QVIFRXBGXFKRIU-UHFFFAOYSA-N 0 3 207.317 3.338 20 0 BGADHN Cc1ccc([O-])c(C[NH2+]C2(C)CCC(C)CC2)n1 ZINC000116341694 386941890 /nfs/dbraw/zinc/94/18/90/386941890.db2.gz ZIUGHTYYRJSEGE-UHFFFAOYSA-N 0 3 248.370 3.154 20 0 BGADHN CCC(C)(CC)NCc1csc(C)n1 ZINC000116358791 168310770 /nfs/dbraw/zinc/31/07/70/168310770.db2.gz MYDHCWDLCSHDHQ-UHFFFAOYSA-N 0 3 212.362 3.120 20 0 BGADHN CCC(C)(CC)NCc1nc2ccccc2n1C ZINC000116358942 168311220 /nfs/dbraw/zinc/31/12/20/168311220.db2.gz RQMIYHLIBASKQH-UHFFFAOYSA-N 0 3 245.370 3.242 20 0 BGADHN CCc1nc(CNC(C)(CC)CC)cs1 ZINC000116359120 347115141 /nfs/dbraw/zinc/11/51/41/347115141.db2.gz CSKVQIQNDACNMP-UHFFFAOYSA-N 0 3 226.389 3.374 20 0 BGADHN CCC(C)(CC)NCc1cccnc1Cl ZINC000116359461 168311762 /nfs/dbraw/zinc/31/17/62/168311762.db2.gz VEBBWWOFJHPWIR-UHFFFAOYSA-N 0 3 226.751 3.403 20 0 BGADHN Cc1nc(CNCCc2ccc(C)cc2)cs1 ZINC000116360408 370762731 /nfs/dbraw/zinc/76/27/31/370762731.db2.gz WWHCVKBJYDRKJD-UHFFFAOYSA-N 0 3 246.379 3.092 20 0 BGADHN Cc1ccc(CNCCc2ccc(C)cc2)o1 ZINC000116361228 386941947 /nfs/dbraw/zinc/94/19/47/386941947.db2.gz XAULSNCZFCJTFV-UHFFFAOYSA-N 0 3 229.323 3.229 20 0 BGADHN CC[C@@H](Cc1ccccc1)NCc1cc(C)on1 ZINC000116387161 384102769 /nfs/dbraw/zinc/10/27/69/384102769.db2.gz DGVVFUOEGUIKOR-AWEZNQCLSA-N 0 3 244.338 3.094 20 0 BGADHN CC[C@H](Cc1ccccc1)NCc1cc(C)on1 ZINC000116387165 384103862 /nfs/dbraw/zinc/10/38/62/384103862.db2.gz DGVVFUOEGUIKOR-CQSZACIVSA-N 0 3 244.338 3.094 20 0 BGADHN CC[C@@H](Cc1ccccc1)NCc1cc(C)no1 ZINC000116387204 384131460 /nfs/dbraw/zinc/13/14/60/384131460.db2.gz GEXRTAVBYDELAR-AWEZNQCLSA-N 0 3 244.338 3.094 20 0 BGADHN CC[C@H](Cc1ccccc1)NCc1cc(C)no1 ZINC000116387207 384131489 /nfs/dbraw/zinc/13/14/89/384131489.db2.gz GEXRTAVBYDELAR-CQSZACIVSA-N 0 3 244.338 3.094 20 0 BGADHN CC[C@@H]1CN(Cc2ccccc2)C[C@H](CC)O1 ZINC000116609363 345756395 /nfs/dbraw/zinc/75/63/95/345756395.db2.gz WOYMGAVJTHTDGP-GASCZTMLSA-N 0 3 233.355 3.076 20 0 BGADHN CC[C@@H]1CN(Cc2ccccc2)C[C@@H](CC)O1 ZINC000116609381 345756354 /nfs/dbraw/zinc/75/63/54/345756354.db2.gz WOYMGAVJTHTDGP-HUUCEWRRSA-N 0 3 233.355 3.076 20 0 BGADHN CC[C@H]1CN(Cc2ccccc2)C[C@H](CC)O1 ZINC000116609384 359347280 /nfs/dbraw/zinc/34/72/80/359347280.db2.gz WOYMGAVJTHTDGP-GJZGRUSLSA-N 0 3 233.355 3.076 20 0 BGADHN CCCn1cc(CNCCC2=CCCCC2)cn1 ZINC000116911893 386997883 /nfs/dbraw/zinc/99/78/83/386997883.db2.gz VTSJGAHUEQBOTI-UHFFFAOYSA-N 0 3 247.386 3.273 20 0 BGADHN CCCn1cc(CN[C@@H](C)c2ccccc2)cn1 ZINC000116912123 386997320 /nfs/dbraw/zinc/99/73/20/386997320.db2.gz BKMAACGZEDMJHN-ZDUSSCGKSA-N 0 3 243.354 3.144 20 0 BGADHN CCCn1cc(CN[C@H](C)c2ccccc2)cn1 ZINC000116912124 169619914 /nfs/dbraw/zinc/61/99/14/169619914.db2.gz BKMAACGZEDMJHN-CYBMUJFWSA-N 0 3 243.354 3.144 20 0 BGADHN COCCCCCNCc1cc(C)ccc1F ZINC000116915474 174182710 /nfs/dbraw/zinc/18/27/10/174182710.db2.gz YBANCNIRXYHAOJ-UHFFFAOYSA-N 0 3 239.334 3.040 20 0 BGADHN CC[C@@H]1CCCN(Cc2ccccn2)CC1 ZINC000117342911 344744781 /nfs/dbraw/zinc/74/47/81/344744781.db2.gz DYVZPOGELDNYON-CYBMUJFWSA-N 0 3 218.344 3.094 20 0 BGADHN CC[C@H]1CCCN(Cc2ccccn2)CC1 ZINC000117342912 384172323 /nfs/dbraw/zinc/17/23/23/384172323.db2.gz DYVZPOGELDNYON-ZDUSSCGKSA-N 0 3 218.344 3.094 20 0 BGADHN CC[C@@H]1CCCN(Cc2cnc(C)s2)CC1 ZINC000117343463 347827341 /nfs/dbraw/zinc/82/73/41/347827341.db2.gz BWRZTIVZXPGVJI-GFCCVEGCSA-N 0 3 238.400 3.464 20 0 BGADHN CC[C@H]1CCCN(Cc2cnc(C)s2)CC1 ZINC000117343466 385578340 /nfs/dbraw/zinc/57/83/40/385578340.db2.gz BWRZTIVZXPGVJI-LBPRGKRZSA-N 0 3 238.400 3.464 20 0 BGADHN CC[C@@H]1CCCN(Cc2c(C)noc2C)CC1 ZINC000117345288 347820322 /nfs/dbraw/zinc/82/03/22/347820322.db2.gz UPJOJHIFVFKUSW-CYBMUJFWSA-N 0 3 236.359 3.304 20 0 BGADHN CC[C@H]1CCCN(Cc2c(C)noc2C)CC1 ZINC000117345291 385578280 /nfs/dbraw/zinc/57/82/80/385578280.db2.gz UPJOJHIFVFKUSW-ZDUSSCGKSA-N 0 3 236.359 3.304 20 0 BGADHN Cc1nc(CN2CCCC[C@@H]2C(C)C)oc1C ZINC000117348333 387017041 /nfs/dbraw/zinc/01/70/41/387017041.db2.gz SERGVYDPYNDVNP-CYBMUJFWSA-N 0 3 236.359 3.302 20 0 BGADHN Cc1nc(CN2CCCC[C@H]2C(C)C)oc1C ZINC000117348337 387018061 /nfs/dbraw/zinc/01/80/61/387018061.db2.gz SERGVYDPYNDVNP-ZDUSSCGKSA-N 0 3 236.359 3.302 20 0 BGADHN CC(C)[C@@H]1CCCCN1Cc1nccn1C(C)C ZINC000117350205 384171675 /nfs/dbraw/zinc/17/16/75/384171675.db2.gz AQWMJFGJKVXWIB-AWEZNQCLSA-N 0 3 249.402 3.475 20 0 BGADHN CC(C)[C@H]1CCCCN1Cc1nccn1C(C)C ZINC000117350209 411136930 /nfs/dbraw/zinc/13/69/30/411136930.db2.gz AQWMJFGJKVXWIB-CQSZACIVSA-N 0 3 249.402 3.475 20 0 BGADHN CCCC(C)(C)NCc1nc(C)cs1 ZINC000117385821 384627105 /nfs/dbraw/zinc/62/71/05/384627105.db2.gz BORLVEBFXOEMLO-UHFFFAOYSA-N 0 3 212.362 3.120 20 0 BGADHN CCC(C)(CC)NCc1nc(C)cs1 ZINC000117386517 168311311 /nfs/dbraw/zinc/31/13/11/168311311.db2.gz QSZJWOOAHVLQIN-UHFFFAOYSA-N 0 3 212.362 3.120 20 0 BGADHN Cc1csc(CNCCc2ccc(C)cc2)n1 ZINC000117386519 370912587 /nfs/dbraw/zinc/91/25/87/370912587.db2.gz VQCIQYUKZNJWLM-UHFFFAOYSA-N 0 3 246.379 3.092 20 0 BGADHN c1coc(CNC[C@H]2CCc3ccccc3C2)c1 ZINC000117388728 370912779 /nfs/dbraw/zinc/91/27/79/370912779.db2.gz CDMXPHBOJNPYBW-ZDUSSCGKSA-N 0 3 241.334 3.174 20 0 BGADHN c1coc(CNC[C@@H]2CCc3ccccc3C2)c1 ZINC000117388730 370912639 /nfs/dbraw/zinc/91/26/39/370912639.db2.gz CDMXPHBOJNPYBW-CYBMUJFWSA-N 0 3 241.334 3.174 20 0 BGADHN CS[C@@H]1CCC[C@H](NCc2ccco2)C1 ZINC000117393480 175548978 /nfs/dbraw/zinc/54/89/78/175548978.db2.gz DFVIUYBWETVQHX-CMPLNLGQSA-N 0 3 225.357 3.043 20 0 BGADHN CS[C@H]1CCC[C@H](NCc2ccco2)C1 ZINC000117393483 175568122 /nfs/dbraw/zinc/56/81/22/175568122.db2.gz DFVIUYBWETVQHX-JQWIXIFHSA-N 0 3 225.357 3.043 20 0 BGADHN CS[C@@H]1CCC[C@@H](NCc2ccco2)C1 ZINC000117393485 384627342 /nfs/dbraw/zinc/62/73/42/384627342.db2.gz DFVIUYBWETVQHX-ZYHUDNBSSA-N 0 3 225.357 3.043 20 0 BGADHN CS[C@H]1CCC[C@@H](NCc2ccco2)C1 ZINC000117393488 384625385 /nfs/dbraw/zinc/62/53/85/384625385.db2.gz DFVIUYBWETVQHX-PWSUYJOCSA-N 0 3 225.357 3.043 20 0 BGADHN CS[C@H]1CCC[C@@H](NCc2ccc(C)o2)C1 ZINC000117393978 384171368 /nfs/dbraw/zinc/17/13/68/384171368.db2.gz CJLQYQBCNZBAGQ-YPMHNXCESA-N 0 3 239.384 3.352 20 0 BGADHN CS[C@H]1CCC[C@H](NCc2ccc(C)o2)C1 ZINC000117393981 384171900 /nfs/dbraw/zinc/17/19/00/384171900.db2.gz CJLQYQBCNZBAGQ-AAEUAGOBSA-N 0 3 239.384 3.352 20 0 BGADHN CS[C@@H]1CCC[C@@H](NCc2ccc(C)o2)C1 ZINC000117393984 384172420 /nfs/dbraw/zinc/17/24/20/384172420.db2.gz CJLQYQBCNZBAGQ-DGCLKSJQSA-N 0 3 239.384 3.352 20 0 BGADHN CS[C@@H]1CCC[C@H](NCc2ccc(C)o2)C1 ZINC000117393987 384171937 /nfs/dbraw/zinc/17/19/37/384171937.db2.gz CJLQYQBCNZBAGQ-WCQYABFASA-N 0 3 239.384 3.352 20 0 BGADHN CC[C@@H]1CCCN(C/C=C/Cl)CC1 ZINC000117431566 589096048 /nfs/dbraw/zinc/09/60/48/589096048.db2.gz BRBQFVJLDZKJRR-TZOMUSMUSA-N 0 3 201.741 3.251 20 0 BGADHN CC[C@H]1CCCN(C/C=C/Cl)CC1 ZINC000117431568 589096143 /nfs/dbraw/zinc/09/61/43/589096143.db2.gz BRBQFVJLDZKJRR-ZPMKCOPCSA-N 0 3 201.741 3.251 20 0 BGADHN CCN(CC)CC#Cc1ccccc1Cl ZINC000117533417 384650135 /nfs/dbraw/zinc/65/01/35/384650135.db2.gz WMWOIXHQRMFYEX-UHFFFAOYSA-N 0 3 221.731 3.033 20 0 BGADHN CCCN1CC=C(c2cccs2)CC1 ZINC000117895658 169185358 /nfs/dbraw/zinc/18/53/58/169185358.db2.gz WJZQGQKNQXTXIC-UHFFFAOYSA-N 0 3 207.342 3.247 20 0 BGADHN c1csc(C2=CCN(C[C@@H]3CCCO3)CC2)c1 ZINC000117896548 387030455 /nfs/dbraw/zinc/03/04/55/387030455.db2.gz DKSWYTGPQOXROQ-ZDUSSCGKSA-N 0 3 249.379 3.016 20 0 BGADHN c1csc(C2=CCN(C[C@H]3CCCO3)CC2)c1 ZINC000117896551 387031857 /nfs/dbraw/zinc/03/18/57/387031857.db2.gz DKSWYTGPQOXROQ-CYBMUJFWSA-N 0 3 249.379 3.016 20 0 BGADHN CC(C)N1CC=C(c2cccs2)CC1 ZINC000117896707 188246793 /nfs/dbraw/zinc/24/67/93/188246793.db2.gz ORJWEZPEYSOJHQ-UHFFFAOYSA-N 0 3 207.342 3.246 20 0 BGADHN c1c[nH]c(CNC(C2CCCC2)C2CCCC2)n1 ZINC000117947258 589140468 /nfs/dbraw/zinc/14/04/68/589140468.db2.gz AWDZBMSTXGFPNB-UHFFFAOYSA-N 0 3 247.386 3.248 20 0 BGADHN C[C@@H]1[C@H](C)SCCN1Cc1ccccc1 ZINC000118418420 397983799 /nfs/dbraw/zinc/98/37/99/397983799.db2.gz XLYSVLAUWFXPAM-NEPJUHHUSA-N 0 3 221.369 3.012 20 0 BGADHN C[C@@H]1SCCN(Cc2ccccc2)[C@H]1C ZINC000118418423 397983930 /nfs/dbraw/zinc/98/39/30/397983930.db2.gz XLYSVLAUWFXPAM-RYUDHWBXSA-N 0 3 221.369 3.012 20 0 BGADHN C[C@H]1SCCN(Cc2ccccc2)[C@@H]1C ZINC000118418426 397983958 /nfs/dbraw/zinc/98/39/58/397983958.db2.gz XLYSVLAUWFXPAM-VXGBXAGGSA-N 0 3 221.369 3.012 20 0 BGADHN C[C@H]1SCCN(Cc2ccccc2)[C@H]1C ZINC000118418428 397983580 /nfs/dbraw/zinc/98/35/80/397983580.db2.gz XLYSVLAUWFXPAM-NWDGAFQWSA-N 0 3 221.369 3.012 20 0 BGADHN CCN1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC000118420906 170007105 /nfs/dbraw/zinc/00/71/05/170007105.db2.gz WRMRBRRKBNQOHK-DGCLKSJQSA-N 0 3 221.369 3.185 20 0 BGADHN CCN1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000118420911 170006262 /nfs/dbraw/zinc/00/62/62/170006262.db2.gz WRMRBRRKBNQOHK-WCQYABFASA-N 0 3 221.369 3.185 20 0 BGADHN CCCCNCc1c(Cl)cccc1OC ZINC000118446964 388095313 /nfs/dbraw/zinc/09/53/13/388095313.db2.gz ANTAIAHSOWFQKU-UHFFFAOYSA-N 0 3 227.735 3.238 20 0 BGADHN COc1cccc(Cl)c1CN[C@@H](C)C1CC1 ZINC000118447139 354301766 /nfs/dbraw/zinc/30/17/66/354301766.db2.gz HXRPNECQQZMZFY-VIFPVBQESA-N 0 3 239.746 3.237 20 0 BGADHN COc1cccc(Cl)c1CN[C@H](C)C1CC1 ZINC000118447140 354301695 /nfs/dbraw/zinc/30/16/95/354301695.db2.gz HXRPNECQQZMZFY-SECBINFHSA-N 0 3 239.746 3.237 20 0 BGADHN CC(C)(CNCc1ccco1)c1cccc(F)c1 ZINC000118454080 371020564 /nfs/dbraw/zinc/02/05/64/371020564.db2.gz LWSIZPBDVHPRKY-UHFFFAOYSA-N 0 3 247.313 3.486 20 0 BGADHN CCC[N@@H+](CC)[C@@H](C)c1cccc([O-])c1 ZINC000118680899 169131603 /nfs/dbraw/zinc/13/16/03/169131603.db2.gz LKPQWCPADMQQMN-NSHDSACASA-N 0 3 207.317 3.185 20 0 BGADHN CCC[N@H+](CC)[C@@H](C)c1cccc([O-])c1 ZINC000118680899 169131601 /nfs/dbraw/zinc/13/16/01/169131601.db2.gz LKPQWCPADMQQMN-NSHDSACASA-N 0 3 207.317 3.185 20 0 BGADHN CCC[N@@H+](CC)[C@H](C)c1cccc([O-])c1 ZINC000118680901 169131101 /nfs/dbraw/zinc/13/11/01/169131101.db2.gz LKPQWCPADMQQMN-LLVKDONJSA-N 0 3 207.317 3.185 20 0 BGADHN CCC[N@H+](CC)[C@H](C)c1cccc([O-])c1 ZINC000118680901 169131100 /nfs/dbraw/zinc/13/11/00/169131100.db2.gz LKPQWCPADMQQMN-LLVKDONJSA-N 0 3 207.317 3.185 20 0 BGADHN CC(C)(NCCc1ccccc1)c1nccs1 ZINC000118847541 384215652 /nfs/dbraw/zinc/21/56/52/384215652.db2.gz GRMVUAQZXCCNBS-UHFFFAOYSA-N 0 3 246.379 3.211 20 0 BGADHN CCCCNC(C)(C)c1nc(C)cs1 ZINC000118848790 384903750 /nfs/dbraw/zinc/90/37/50/384903750.db2.gz IWRWRZVDBHVFTM-UHFFFAOYSA-N 0 3 212.362 3.076 20 0 BGADHN Cc1csc(C(C)(C)NCCC(C)C)n1 ZINC000118849593 384903730 /nfs/dbraw/zinc/90/37/30/384903730.db2.gz BDXJCMZMCZEWLA-UHFFFAOYSA-N 0 3 226.389 3.322 20 0 BGADHN CCn1ccnc1CN1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000118850655 172223178 /nfs/dbraw/zinc/22/31/78/172223178.db2.gz HOSKJMXJWXFYCD-MCIONIFRSA-N 0 3 247.386 3.056 20 0 BGADHN c1ccc([C@@H]2CCCN2Cc2ccncc2)cc1 ZINC000118888359 384216943 /nfs/dbraw/zinc/21/69/43/384216943.db2.gz FDQKBNKESCYBSF-INIZCTEOSA-N 0 3 238.334 3.419 20 0 BGADHN c1ccc([C@H]2CCCN2Cc2ccncc2)cc1 ZINC000118888361 384216988 /nfs/dbraw/zinc/21/69/88/384216988.db2.gz FDQKBNKESCYBSF-MRXNPFEDSA-N 0 3 238.334 3.419 20 0 BGADHN COc1ccc(CN(CCCF)C2CC2)cc1 ZINC000118952793 175097740 /nfs/dbraw/zinc/09/77/40/175097740.db2.gz HXNFPEBRLBDFFS-UHFFFAOYSA-N 0 3 237.318 3.019 20 0 BGADHN CCc1ccc([C@@H](C)NC[C@@H]2CCCS2)o1 ZINC000118953082 387081943 /nfs/dbraw/zinc/08/19/43/387081943.db2.gz KMQGLYKRFOBCOI-PWSUYJOCSA-N 0 3 239.384 3.388 20 0 BGADHN CCc1ccc([C@H](C)NC[C@@H]2CCCS2)o1 ZINC000118953287 387082142 /nfs/dbraw/zinc/08/21/42/387082142.db2.gz KMQGLYKRFOBCOI-JQWIXIFHSA-N 0 3 239.384 3.388 20 0 BGADHN CCc1ccc([C@@H](C)NC[C@H]2CCCS2)o1 ZINC000118953390 387082538 /nfs/dbraw/zinc/08/25/38/387082538.db2.gz KMQGLYKRFOBCOI-ZYHUDNBSSA-N 0 3 239.384 3.388 20 0 BGADHN CCc1ccc([C@H](C)NC[C@H]2CCCS2)o1 ZINC000118953467 171839417 /nfs/dbraw/zinc/83/94/17/171839417.db2.gz KMQGLYKRFOBCOI-CMPLNLGQSA-N 0 3 239.384 3.388 20 0 BGADHN CN(CCCF)Cc1ccc(C(F)(F)F)cc1 ZINC000118957680 487517531 /nfs/dbraw/zinc/51/75/31/487517531.db2.gz PXXVNRAVUBQDQH-UHFFFAOYSA-N 0 3 249.251 3.497 20 0 BGADHN CCc1cnc(CNC[C@@H]2C[C@@H]3C=C[C@H]2C3)s1 ZINC000118981209 171914098 /nfs/dbraw/zinc/91/40/98/171914098.db2.gz YJJXJHJJLFFIKC-WOPDTQHZSA-N 0 3 248.395 3.007 20 0 BGADHN CCc1cnc(CNC[C@H]2C[C@@H]3C=C[C@H]2C3)s1 ZINC000118981292 344834729 /nfs/dbraw/zinc/83/47/29/344834729.db2.gz YJJXJHJJLFFIKC-GRYCIOLGSA-N 0 3 248.395 3.007 20 0 BGADHN FCCCN1CC=C(c2ccc(F)cc2)CC1 ZINC000118984043 384222906 /nfs/dbraw/zinc/22/29/06/384222906.db2.gz FPCDFWNGMRHZIR-UHFFFAOYSA-N 0 3 237.293 3.274 20 0 BGADHN CC(C)[C@@H]1CCC[C@H](N[C@@H](C)c2cnccn2)C1 ZINC000119009118 187465507 /nfs/dbraw/zinc/46/55/07/187465507.db2.gz UKQJDGKFWCYJJT-MJBXVCDLSA-N 0 3 247.386 3.342 20 0 BGADHN CC(C)[C@H]1CCC[C@H](N[C@@H](C)c2cnccn2)C1 ZINC000119009215 384224220 /nfs/dbraw/zinc/22/42/20/384224220.db2.gz UKQJDGKFWCYJJT-IHRRRGAJSA-N 0 3 247.386 3.342 20 0 BGADHN CC(C)[C@@H]1CCC[C@@H](N[C@@H](C)c2cnccn2)C1 ZINC000119009319 188154060 /nfs/dbraw/zinc/15/40/60/188154060.db2.gz UKQJDGKFWCYJJT-BFHYXJOUSA-N 0 3 247.386 3.342 20 0 BGADHN CC(C)[C@H]1CCC[C@@H](N[C@@H](C)c2cnccn2)C1 ZINC000119009418 384223936 /nfs/dbraw/zinc/22/39/36/384223936.db2.gz UKQJDGKFWCYJJT-MELADBBJSA-N 0 3 247.386 3.342 20 0 BGADHN CN(CCCC1CCCC1)Cc1cccnc1 ZINC000119043400 384225691 /nfs/dbraw/zinc/22/56/91/384225691.db2.gz CQJBWHMUWQBTOZ-UHFFFAOYSA-N 0 3 232.371 3.484 20 0 BGADHN Cc1ccc(CCN(C)Cc2cccnc2)cc1 ZINC000119049430 187295027 /nfs/dbraw/zinc/29/50/27/187295027.db2.gz YYLOYNHFUNCUSC-UHFFFAOYSA-N 0 3 240.350 3.065 20 0 BGADHN Cn1cccc1CNC(C)(C)c1ccc(F)cc1 ZINC000119057071 589236869 /nfs/dbraw/zinc/23/68/69/589236869.db2.gz VXPDTKZNFYGJKR-UHFFFAOYSA-N 0 3 246.329 3.189 20 0 BGADHN CN(CCC1CCCC1)Cc1cccnc1 ZINC000119057353 384231447 /nfs/dbraw/zinc/23/14/47/384231447.db2.gz RULFJPAFPIJOQG-UHFFFAOYSA-N 0 3 218.344 3.094 20 0 BGADHN CCc1noc(C)c1CN(C)C[C@@H](C)CC ZINC000119098940 172074811 /nfs/dbraw/zinc/07/48/11/172074811.db2.gz OPVWWUVWZWFDGB-JTQLQIEISA-N 0 3 224.348 3.023 20 0 BGADHN CCc1noc(C)c1CN(C)C[C@H](C)CC ZINC000119099078 172076322 /nfs/dbraw/zinc/07/63/22/172076322.db2.gz OPVWWUVWZWFDGB-SNVBAGLBSA-N 0 3 224.348 3.023 20 0 BGADHN Cc1cccc2c1CC[C@@H]2NCc1cccn1C ZINC000119109684 179215574 /nfs/dbraw/zinc/21/55/74/179215574.db2.gz ZWUVPIVKZKZCPQ-INIZCTEOSA-N 0 3 240.350 3.111 20 0 BGADHN Cc1cccc2c1CC[C@H]2NCc1cccn1C ZINC000119109784 179216817 /nfs/dbraw/zinc/21/68/17/179216817.db2.gz ZWUVPIVKZKZCPQ-MRXNPFEDSA-N 0 3 240.350 3.111 20 0 BGADHN CN(Cc1nc2ccc(F)cc2o1)CC1CCC1 ZINC000119113329 387100633 /nfs/dbraw/zinc/10/06/33/387100633.db2.gz LLANZXCYFWOBKB-UHFFFAOYSA-N 0 3 248.301 3.199 20 0 BGADHN FCCCN1CCC[C@H]1c1ccc(F)cc1 ZINC000119140947 384238183 /nfs/dbraw/zinc/23/81/83/384238183.db2.gz TVHXPMQNZSJCFN-ZDUSSCGKSA-N 0 3 225.282 3.322 20 0 BGADHN FCCCN1CCC[C@@H]1c1ccc(F)cc1 ZINC000119141069 384239704 /nfs/dbraw/zinc/23/97/04/384239704.db2.gz TVHXPMQNZSJCFN-CYBMUJFWSA-N 0 3 225.282 3.322 20 0 BGADHN Cc1cc(C)cc([C@@H](C)NCc2cccn2C)c1 ZINC000119141404 384238732 /nfs/dbraw/zinc/23/87/32/384238732.db2.gz LWTVGQXMDPVAKF-CQSZACIVSA-N 0 3 242.366 3.493 20 0 BGADHN Cc1cc(C)cc([C@H](C)NCc2cccn2C)c1 ZINC000119141542 384237895 /nfs/dbraw/zinc/23/78/95/384237895.db2.gz LWTVGQXMDPVAKF-AWEZNQCLSA-N 0 3 242.366 3.493 20 0 BGADHN C[C@@H](c1ccc(F)c(F)c1)N(C)CCCF ZINC000119143647 176014563 /nfs/dbraw/zinc/01/45/63/176014563.db2.gz BMEFUCVNWJNACS-VIFPVBQESA-N 0 3 231.261 3.317 20 0 BGADHN C[C@H](c1ccc(F)c(F)c1)N(C)CCCF ZINC000119143767 177034120 /nfs/dbraw/zinc/03/41/20/177034120.db2.gz BMEFUCVNWJNACS-SECBINFHSA-N 0 3 231.261 3.317 20 0 BGADHN CC[C@](C)(NCc1cccn1C)c1ccccc1 ZINC000119148129 589245700 /nfs/dbraw/zinc/24/57/00/589245700.db2.gz AKLUUYRLYHFBPB-INIZCTEOSA-N 0 3 242.366 3.440 20 0 BGADHN CC[C@@](C)(NCc1cccn1C)c1ccccc1 ZINC000119148241 589245596 /nfs/dbraw/zinc/24/55/96/589245596.db2.gz AKLUUYRLYHFBPB-MRXNPFEDSA-N 0 3 242.366 3.440 20 0 BGADHN CCc1noc(C)c1CN1CCCC(C)(C)C1 ZINC000119151067 172076501 /nfs/dbraw/zinc/07/65/01/172076501.db2.gz LBDBKVQWGLMVBO-UHFFFAOYSA-N 0 3 236.359 3.167 20 0 BGADHN CCN(Cc1nc2ccc(F)cc2o1)CC1CC1 ZINC000119159132 357011058 /nfs/dbraw/zinc/01/10/58/357011058.db2.gz ACVPOSYDVCCZFF-UHFFFAOYSA-N 0 3 248.301 3.199 20 0 BGADHN CCc1noc(C)c1CN[C@@H](C)C(C)(C)C ZINC000119161043 172079773 /nfs/dbraw/zinc/07/97/73/172079773.db2.gz VLOITQDYXLXRQS-JTQLQIEISA-N 0 3 224.348 3.070 20 0 BGADHN CCc1noc(C)c1CN[C@H](C)C(C)(C)C ZINC000119161188 172079010 /nfs/dbraw/zinc/07/90/10/172079010.db2.gz VLOITQDYXLXRQS-SNVBAGLBSA-N 0 3 224.348 3.070 20 0 BGADHN C[C@@H](c1ccco1)N(C[C@@H]1CCCCO1)C1CC1 ZINC000119161386 176033077 /nfs/dbraw/zinc/03/30/77/176033077.db2.gz OWDSJTRZPQQVNH-JSGCOSHPSA-N 0 3 249.354 3.374 20 0 BGADHN C[C@H](c1ccco1)N(C[C@@H]1CCCCO1)C1CC1 ZINC000119161497 177047190 /nfs/dbraw/zinc/04/71/90/177047190.db2.gz OWDSJTRZPQQVNH-OCCSQVGLSA-N 0 3 249.354 3.374 20 0 BGADHN CCOCCCN([C@@H](C)c1ccco1)C1CC1 ZINC000119162013 170372126 /nfs/dbraw/zinc/37/21/26/170372126.db2.gz LJWGSYVVJBCNPG-LBPRGKRZSA-N 0 3 237.343 3.232 20 0 BGADHN CCOCCCN([C@H](C)c1ccco1)C1CC1 ZINC000119162127 170371433 /nfs/dbraw/zinc/37/14/33/170371433.db2.gz LJWGSYVVJBCNPG-GFCCVEGCSA-N 0 3 237.343 3.232 20 0 BGADHN C[C@@H]1Cc2ccccc2[C@@H]1NCc1cccn1C ZINC000119188961 384245260 /nfs/dbraw/zinc/24/52/60/384245260.db2.gz NVGBVVPVBHBDHJ-MLGOLLRUSA-N 0 3 240.350 3.048 20 0 BGADHN C[C@H]1Cc2ccccc2[C@@H]1NCc1cccn1C ZINC000119189079 177391455 /nfs/dbraw/zinc/39/14/55/177391455.db2.gz NVGBVVPVBHBDHJ-BLLLJJGKSA-N 0 3 240.350 3.048 20 0 BGADHN C[C@@H]1Cc2ccccc2[C@H]1NCc1cccn1C ZINC000119189187 384245442 /nfs/dbraw/zinc/24/54/42/384245442.db2.gz NVGBVVPVBHBDHJ-WBMJQRKESA-N 0 3 240.350 3.048 20 0 BGADHN C[C@H]1Cc2ccccc2[C@H]1NCc1cccn1C ZINC000119189279 177391795 /nfs/dbraw/zinc/39/17/95/177391795.db2.gz NVGBVVPVBHBDHJ-LRDDRELGSA-N 0 3 240.350 3.048 20 0 BGADHN CSc1ccccc1CN1CCCCC1 ZINC000119191082 175582876 /nfs/dbraw/zinc/58/28/76/175582876.db2.gz IUJKTFCGKBLGGE-UHFFFAOYSA-N 0 3 221.369 3.394 20 0 BGADHN CCCN(Cc1c(CC)noc1C)CC1CC1 ZINC000119198660 169173611 /nfs/dbraw/zinc/17/36/11/169173611.db2.gz PVKMBFOZBQHTDW-UHFFFAOYSA-N 0 3 236.359 3.167 20 0 BGADHN CCc1noc(C)c1CN(CC)CC(C)C ZINC000119202551 172074866 /nfs/dbraw/zinc/07/48/66/172074866.db2.gz LWWRELOYHSUHJH-UHFFFAOYSA-N 0 3 224.348 3.023 20 0 BGADHN CN(CCCF)Cc1ccccc1C(F)(F)F ZINC000119207597 384248099 /nfs/dbraw/zinc/24/80/99/384248099.db2.gz MRQGBFBYOORYIJ-UHFFFAOYSA-N 0 3 249.251 3.497 20 0 BGADHN CCc1noc(C)c1CN(CC)[C@@H](C)C(C)C ZINC000119210971 172075894 /nfs/dbraw/zinc/07/58/94/172075894.db2.gz SNVZKXYIDQRHTC-NSHDSACASA-N 0 3 238.375 3.412 20 0 BGADHN CCc1noc(C)c1CN(CC)[C@H](C)C(C)C ZINC000119211120 172076107 /nfs/dbraw/zinc/07/61/07/172076107.db2.gz SNVZKXYIDQRHTC-LLVKDONJSA-N 0 3 238.375 3.412 20 0 BGADHN FCCCN(Cc1ccccc1)C1CC1 ZINC000119213502 384248161 /nfs/dbraw/zinc/24/81/61/384248161.db2.gz JDONYFZITPYARZ-UHFFFAOYSA-N 0 3 207.292 3.011 20 0 BGADHN CCc1noc(C)c1CN(CC1CC1)CC1CC1 ZINC000119229019 172075964 /nfs/dbraw/zinc/07/59/64/172075964.db2.gz OBNCIHGMVAUQSK-UHFFFAOYSA-N 0 3 248.370 3.167 20 0 BGADHN COCCCCN([C@@H](C)c1ccco1)C1CC1 ZINC000119249689 174189897 /nfs/dbraw/zinc/18/98/97/174189897.db2.gz BPXVJNLBELCPJQ-LBPRGKRZSA-N 0 3 237.343 3.232 20 0 BGADHN COCCCCN([C@H](C)c1ccco1)C1CC1 ZINC000119249805 174190375 /nfs/dbraw/zinc/19/03/75/174190375.db2.gz BPXVJNLBELCPJQ-GFCCVEGCSA-N 0 3 237.343 3.232 20 0 BGADHN FCCCN(Cc1cccs1)C1CC1 ZINC000119262099 384252791 /nfs/dbraw/zinc/25/27/91/384252791.db2.gz GMZMOELAUXQPQP-UHFFFAOYSA-N 0 3 213.321 3.072 20 0 BGADHN CSCCCNCc1cc(Cl)ccc1F ZINC000119272901 385040032 /nfs/dbraw/zinc/04/00/32/385040032.db2.gz SEEMWRFEHWUCPO-UHFFFAOYSA-N 0 3 247.766 3.322 20 0 BGADHN CSC[C@H](C)NCc1cc(Cl)ccc1F ZINC000119277637 385039901 /nfs/dbraw/zinc/03/99/01/385039901.db2.gz UCKWRRKQZVUZKG-QMMMGPOBSA-N 0 3 247.766 3.320 20 0 BGADHN CSC[C@@H](C)NCc1cc(Cl)ccc1F ZINC000119277793 385041973 /nfs/dbraw/zinc/04/19/73/385041973.db2.gz UCKWRRKQZVUZKG-MRVPVSSYSA-N 0 3 247.766 3.320 20 0 BGADHN CCC1CCN(CCc2csc(C)n2)CC1 ZINC000119282773 387114083 /nfs/dbraw/zinc/11/40/83/387114083.db2.gz MVMTYMFYQWLOAB-UHFFFAOYSA-N 0 3 238.400 3.116 20 0 BGADHN Cc1cccc([C@@H](C)NCc2cccn2C)c1C ZINC000119293712 179183252 /nfs/dbraw/zinc/18/32/52/179183252.db2.gz IIMIZMGAJGWFIW-CQSZACIVSA-N 0 3 242.366 3.493 20 0 BGADHN Cc1cccc([C@H](C)NCc2cccn2C)c1C ZINC000119293842 179196718 /nfs/dbraw/zinc/19/67/18/179196718.db2.gz IIMIZMGAJGWFIW-AWEZNQCLSA-N 0 3 242.366 3.493 20 0 BGADHN CS[C@@H](C)CNCc1ccc(F)c(Cl)c1 ZINC000119295543 385041417 /nfs/dbraw/zinc/04/14/17/385041417.db2.gz PAQBHSMWZLSABV-QMMMGPOBSA-N 0 3 247.766 3.320 20 0 BGADHN CS[C@H](C)CNCc1ccc(F)c(Cl)c1 ZINC000119295677 385040260 /nfs/dbraw/zinc/04/02/60/385040260.db2.gz PAQBHSMWZLSABV-MRVPVSSYSA-N 0 3 247.766 3.320 20 0 BGADHN CC(C)CC1(CN[C@@H](C)c2cnccn2)CCC1 ZINC000119300556 166785212 /nfs/dbraw/zinc/78/52/12/166785212.db2.gz CAJXQIBBEIJAIM-ZDUSSCGKSA-N 0 3 247.386 3.344 20 0 BGADHN CC(C)C[C@@H]1CCCN(Cc2ccccn2)C1 ZINC000119300688 187386201 /nfs/dbraw/zinc/38/62/01/187386201.db2.gz PIFZPHNUSKQUIU-AWEZNQCLSA-N 0 3 232.371 3.340 20 0 BGADHN CC(C)CC1(CN[C@H](C)c2cnccn2)CCC1 ZINC000119300698 398336220 /nfs/dbraw/zinc/33/62/20/398336220.db2.gz CAJXQIBBEIJAIM-CYBMUJFWSA-N 0 3 247.386 3.344 20 0 BGADHN CC(C)C[C@H]1CCCN(Cc2ccccn2)C1 ZINC000119300792 187221700 /nfs/dbraw/zinc/22/17/00/187221700.db2.gz PIFZPHNUSKQUIU-CQSZACIVSA-N 0 3 232.371 3.340 20 0 BGADHN CC(C)C[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000119329928 188074419 /nfs/dbraw/zinc/07/44/19/188074419.db2.gz IMJOWROJONUDCC-AWEZNQCLSA-N 0 3 232.371 3.340 20 0 BGADHN CC(C)C[C@H]1CCCN(Cc2cccnc2)C1 ZINC000119330064 188248247 /nfs/dbraw/zinc/24/82/47/188248247.db2.gz IMJOWROJONUDCC-CQSZACIVSA-N 0 3 232.371 3.340 20 0 BGADHN Cc1cccc(C(C)(C)NCc2cccn2C)c1 ZINC000119330121 179028158 /nfs/dbraw/zinc/02/81/58/179028158.db2.gz QGQZFYIVBLTSDW-UHFFFAOYSA-N 0 3 242.366 3.358 20 0 BGADHN Cn1cccc1CNC(C)(C)c1cccc(F)c1 ZINC000119345105 384261874 /nfs/dbraw/zinc/26/18/74/384261874.db2.gz PNEWFAZKKONHGN-UHFFFAOYSA-N 0 3 246.329 3.189 20 0 BGADHN CCc1noc(C)c1CN(C(C)C)C1CCC1 ZINC000119356548 172075277 /nfs/dbraw/zinc/07/52/77/172075277.db2.gz GWQLCQAEFUNVPP-UHFFFAOYSA-N 0 3 236.359 3.308 20 0 BGADHN Cc1cc(CNCCOCCC(C)C)c(C)o1 ZINC000119369433 589275242 /nfs/dbraw/zinc/27/52/42/589275242.db2.gz QMGNTGOOZFZLRE-UHFFFAOYSA-N 0 3 239.359 3.049 20 0 BGADHN C[C@@H](c1ccccc1)N(C)Cc1ccn(C)c1 ZINC000119375273 176020345 /nfs/dbraw/zinc/02/03/45/176020345.db2.gz KJRBERMWEMFJHA-ZDUSSCGKSA-N 0 3 228.339 3.218 20 0 BGADHN C[C@H](c1ccccc1)N(C)Cc1ccn(C)c1 ZINC000119375399 177038877 /nfs/dbraw/zinc/03/88/77/177038877.db2.gz KJRBERMWEMFJHA-CYBMUJFWSA-N 0 3 228.339 3.218 20 0 BGADHN Fc1ccc(Cl)cc1CNCCC1CC1 ZINC000119400223 487607037 /nfs/dbraw/zinc/60/70/37/487607037.db2.gz RGRFCQLQUKKXRE-UHFFFAOYSA-N 0 3 227.710 3.369 20 0 BGADHN CCc1noc(C)c1CN1CCC[C@H]2CCC[C@@H]21 ZINC000119420375 172076852 /nfs/dbraw/zinc/07/68/52/172076852.db2.gz WKYRWKRDJXGLJX-DOMZBBRYSA-N 0 3 248.370 3.310 20 0 BGADHN CCc1noc(C)c1CN1CCC[C@@H]2CCC[C@@H]21 ZINC000119420516 172076808 /nfs/dbraw/zinc/07/68/08/172076808.db2.gz WKYRWKRDJXGLJX-WFASDCNBSA-N 0 3 248.370 3.310 20 0 BGADHN c1coc(CNCCC2Cc3ccccc3C2)c1 ZINC000119469344 387134093 /nfs/dbraw/zinc/13/40/93/387134093.db2.gz NXCFQNNJZGWNKR-UHFFFAOYSA-N 0 3 241.334 3.174 20 0 BGADHN CCc1noc(C)c1CN1CCC2(CCCC2)C1 ZINC000119487042 172076287 /nfs/dbraw/zinc/07/62/87/172076287.db2.gz HRKGYPLICYBLBE-UHFFFAOYSA-N 0 3 248.370 3.312 20 0 BGADHN CC(C)n1ccnc1CN[C@H]1CC[C@@H](C)C[C@H]1C ZINC000119489620 387135364 /nfs/dbraw/zinc/13/53/64/387135364.db2.gz CZQQMXYFELMBIT-MCIONIFRSA-N 0 3 249.402 3.378 20 0 BGADHN CC(C)n1ccnc1CN[C@@H]1CC[C@@H](C)C[C@H]1C ZINC000119489868 387135453 /nfs/dbraw/zinc/13/54/53/387135453.db2.gz CZQQMXYFELMBIT-MGPQQGTHSA-N 0 3 249.402 3.378 20 0 BGADHN C[C@H](NCCCCC(C)(C)C)c1cnccn1 ZINC000119513189 384280987 /nfs/dbraw/zinc/28/09/87/384280987.db2.gz APLIZNATLJVQQH-LBPRGKRZSA-N 0 3 235.375 3.344 20 0 BGADHN C[C@@H](NCCCCC(C)(C)C)c1cnccn1 ZINC000119513340 384281237 /nfs/dbraw/zinc/28/12/37/384281237.db2.gz APLIZNATLJVQQH-GFCCVEGCSA-N 0 3 235.375 3.344 20 0 BGADHN CCc1noc(C)c1CN1C[C@H](C)CC[C@@H]1C ZINC000119522123 172077873 /nfs/dbraw/zinc/07/78/73/172077873.db2.gz AZNMSRIZPPVHJY-MNOVXSKESA-N 0 3 236.359 3.166 20 0 BGADHN CCc1noc(C)c1CN1C[C@@H](C)CC[C@@H]1C ZINC000119522252 172077672 /nfs/dbraw/zinc/07/76/72/172077672.db2.gz AZNMSRIZPPVHJY-QWRGUYRKSA-N 0 3 236.359 3.166 20 0 BGADHN Cc1ccsc1CN1C[C@H](C)OC(C)(C)C1 ZINC000119538814 387141960 /nfs/dbraw/zinc/14/19/60/387141960.db2.gz SNWZWWDBNDRDNC-NSHDSACASA-N 0 3 239.384 3.056 20 0 BGADHN Cc1ccsc1CN1C[C@@H](C)OC(C)(C)C1 ZINC000119538919 387140895 /nfs/dbraw/zinc/14/08/95/387140895.db2.gz SNWZWWDBNDRDNC-LLVKDONJSA-N 0 3 239.384 3.056 20 0 BGADHN CC(C)CN[C@@H](COCC(C)C)c1ccco1 ZINC000119545220 167012152 /nfs/dbraw/zinc/01/21/52/167012152.db2.gz GRPUOYLVQNVCSU-ZDUSSCGKSA-N 0 3 239.359 3.239 20 0 BGADHN CC(C)CN[C@H](COCC(C)C)c1ccco1 ZINC000119545330 167014182 /nfs/dbraw/zinc/01/41/82/167014182.db2.gz GRPUOYLVQNVCSU-CYBMUJFWSA-N 0 3 239.359 3.239 20 0 BGADHN CC[C@@H](C)[C@@H](C)N(Cc1ccnn1CC)C1CC1 ZINC000119554937 387142167 /nfs/dbraw/zinc/14/21/67/387142167.db2.gz XHIJRIWVOAMTAG-CHWSQXEVSA-N 0 3 249.402 3.302 20 0 BGADHN CC[C@H](C)[C@@H](C)N(Cc1ccnn1CC)C1CC1 ZINC000119555056 171361527 /nfs/dbraw/zinc/36/15/27/171361527.db2.gz XHIJRIWVOAMTAG-QWHCGFSZSA-N 0 3 249.402 3.302 20 0 BGADHN CC[C@@H](C)[C@H](C)N(Cc1ccnn1CC)C1CC1 ZINC000119555202 384282996 /nfs/dbraw/zinc/28/29/96/384282996.db2.gz XHIJRIWVOAMTAG-OLZOCXBDSA-N 0 3 249.402 3.302 20 0 BGADHN CC[C@H](C)[C@H](C)N(Cc1ccnn1CC)C1CC1 ZINC000119555298 171385988 /nfs/dbraw/zinc/38/59/88/171385988.db2.gz XHIJRIWVOAMTAG-STQMWFEESA-N 0 3 249.402 3.302 20 0 BGADHN CC(C)(NC/C=C/Cl)c1ccc(F)cc1 ZINC000119560402 589304436 /nfs/dbraw/zinc/30/44/36/589304436.db2.gz IVPOJKGTBPHJJL-FPYGCLRLSA-N 0 3 227.710 3.403 20 0 BGADHN Fc1ccc(Cl)cc1CNC1CC=CC1 ZINC000119576225 487557890 /nfs/dbraw/zinc/55/78/90/487557890.db2.gz SCNIXAAXQDYSDB-UHFFFAOYSA-N 0 3 225.694 3.287 20 0 BGADHN CC(C)CO[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000119585759 387141417 /nfs/dbraw/zinc/14/14/17/387141417.db2.gz CYAUXVDLHWGZHF-GOEBONIOSA-N 0 3 247.382 3.495 20 0 BGADHN CC(C)CO[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000119585924 387141739 /nfs/dbraw/zinc/14/17/39/387141739.db2.gz CYAUXVDLHWGZHF-HOCLYGCPSA-N 0 3 247.382 3.495 20 0 BGADHN CCSCCN(C)[C@@H](C)c1cccc(O)c1 ZINC000119593911 384286277 /nfs/dbraw/zinc/28/62/77/384286277.db2.gz RJRZZILEGRRVBF-NSHDSACASA-N 0 3 239.384 3.138 20 0 BGADHN CCSCCN(C)[C@H](C)c1cccc(O)c1 ZINC000119594076 384286007 /nfs/dbraw/zinc/28/60/07/384286007.db2.gz RJRZZILEGRRVBF-LLVKDONJSA-N 0 3 239.384 3.138 20 0 BGADHN CCc1noc(C)c1CN(CC)C[C@@H](C)CC ZINC000119597573 172074758 /nfs/dbraw/zinc/07/47/58/172074758.db2.gz RCUWZJKTXMUYRZ-NSHDSACASA-N 0 3 238.375 3.413 20 0 BGADHN CCc1noc(C)c1CN(CC)C[C@H](C)CC ZINC000119597737 172075587 /nfs/dbraw/zinc/07/55/87/172075587.db2.gz RCUWZJKTXMUYRZ-LLVKDONJSA-N 0 3 238.375 3.413 20 0 BGADHN C[C@@H]1CCN(Cc2nc3ccc(F)cc3o2)[C@@H]1C ZINC000119600096 176177921 /nfs/dbraw/zinc/17/79/21/176177921.db2.gz BRVACXLHKBTZQH-NXEZZACHSA-N 0 3 248.301 3.197 20 0 BGADHN C[C@@H]1[C@@H](C)CCN1Cc1nc2ccc(F)cc2o1 ZINC000119600227 177168287 /nfs/dbraw/zinc/16/82/87/177168287.db2.gz BRVACXLHKBTZQH-VHSXEESVSA-N 0 3 248.301 3.197 20 0 BGADHN CCCCOCCN[C@@H](C)c1ccc(CC)o1 ZINC000119636676 487602812 /nfs/dbraw/zinc/60/28/12/487602812.db2.gz LCCNOKCFZVQNCU-LBPRGKRZSA-N 0 3 239.359 3.309 20 0 BGADHN CCCCOCCN[C@H](C)c1ccc(CC)o1 ZINC000119636802 487602877 /nfs/dbraw/zinc/60/28/77/487602877.db2.gz LCCNOKCFZVQNCU-GFCCVEGCSA-N 0 3 239.359 3.309 20 0 BGADHN CCc1ccc(CN[C@@H](C)C2CCC2)o1 ZINC000119638034 487559074 /nfs/dbraw/zinc/55/90/74/487559074.db2.gz AUINXSVEWXZQQC-JTQLQIEISA-N 0 3 207.317 3.120 20 0 BGADHN CCc1ccc(CN[C@H](C)C2CCC2)o1 ZINC000119638160 487559013 /nfs/dbraw/zinc/55/90/13/487559013.db2.gz AUINXSVEWXZQQC-SNVBAGLBSA-N 0 3 207.317 3.120 20 0 BGADHN C[C@H](NCc1cc(F)c(F)cc1F)C1CCC1 ZINC000119646779 487559795 /nfs/dbraw/zinc/55/97/95/487559795.db2.gz KYGJKGMEULUFNE-QMMMGPOBSA-N 0 3 243.272 3.382 20 0 BGADHN C[C@@H](NCc1cc(F)c(F)cc1F)C1CCC1 ZINC000119646932 487559838 /nfs/dbraw/zinc/55/98/38/487559838.db2.gz KYGJKGMEULUFNE-MRVPVSSYSA-N 0 3 243.272 3.382 20 0 BGADHN CC[C@@H](C)CN(C)Cc1sc(C)nc1C ZINC000119677844 384295465 /nfs/dbraw/zinc/29/54/65/384295465.db2.gz DGZIHGAOUHMRMF-SECBINFHSA-N 0 3 226.389 3.238 20 0 BGADHN CC[C@H](C)CN(C)Cc1sc(C)nc1C ZINC000119677950 171274959 /nfs/dbraw/zinc/27/49/59/171274959.db2.gz DGZIHGAOUHMRMF-VIFPVBQESA-N 0 3 226.389 3.238 20 0 BGADHN Cc1ncc(CN2CCC[C@H](C)CC2)s1 ZINC000119678767 180143577 /nfs/dbraw/zinc/14/35/77/180143577.db2.gz XBFWXJGVBCLOPL-JTQLQIEISA-N 0 3 224.373 3.074 20 0 BGADHN Cc1ncc(CN2CCC[C@@H](C)CC2)s1 ZINC000119678915 180144088 /nfs/dbraw/zinc/14/40/88/180144088.db2.gz XBFWXJGVBCLOPL-SNVBAGLBSA-N 0 3 224.373 3.074 20 0 BGADHN Cc1ccc([C@@H](C)CNCc2ccco2)cc1 ZINC000119686198 344460610 /nfs/dbraw/zinc/46/06/10/344460610.db2.gz QVEGGFXHVZOUQF-ZDUSSCGKSA-N 0 3 229.323 3.481 20 0 BGADHN Cc1ccc([C@H](C)CNCc2ccco2)cc1 ZINC000119686341 344460712 /nfs/dbraw/zinc/46/07/12/344460712.db2.gz QVEGGFXHVZOUQF-CYBMUJFWSA-N 0 3 229.323 3.481 20 0 BGADHN CN(Cc1cnn(C)c1)CC1CCC(C)(C)CC1 ZINC000119697909 384951254 /nfs/dbraw/zinc/95/12/54/384951254.db2.gz WWYGIZYXHVDMMP-UHFFFAOYSA-N 0 3 249.402 3.068 20 0 BGADHN CCCC(O)(CCC)CNCc1ccc(C)o1 ZINC000119719923 168587060 /nfs/dbraw/zinc/58/70/60/168587060.db2.gz OCZNLGICIRIDHP-UHFFFAOYSA-N 0 3 239.359 3.009 20 0 BGADHN CC(C)N(Cc1cn2ccccc2n1)C1CCC1 ZINC000119720656 188328366 /nfs/dbraw/zinc/32/83/66/188328366.db2.gz JRSCKDYXIWMKDT-UHFFFAOYSA-N 0 3 243.354 3.097 20 0 BGADHN CCCCCN(CC)Cc1ccccn1 ZINC000119735034 384299815 /nfs/dbraw/zinc/29/98/15/384299815.db2.gz DUJFTKFEERKVSJ-UHFFFAOYSA-N 0 3 206.333 3.094 20 0 BGADHN Cc1ccc(CN2CC[C@H](OCC(C)C)C2)cc1 ZINC000119765782 385199483 /nfs/dbraw/zinc/19/94/83/385199483.db2.gz NYIQPFVGTCKZOY-INIZCTEOSA-N 0 3 247.382 3.242 20 0 BGADHN Cc1ccc(CN2CC[C@@H](OCC(C)C)C2)cc1 ZINC000119765935 385198804 /nfs/dbraw/zinc/19/88/04/385198804.db2.gz NYIQPFVGTCKZOY-MRXNPFEDSA-N 0 3 247.382 3.242 20 0 BGADHN CCSCCN(Cc1cccnc1)C(C)C ZINC000119768853 385201653 /nfs/dbraw/zinc/20/16/53/385201653.db2.gz ORRQPQZXGMOCTM-UHFFFAOYSA-N 0 3 238.400 3.045 20 0 BGADHN C[C@H](N[C@@H]1CCO[C@@H]1C)c1ccccc1Cl ZINC000119771747 176900154 /nfs/dbraw/zinc/90/01/54/176900154.db2.gz PNNGXVSTUJYRAH-OPQQBVKSSA-N 0 3 239.746 3.168 20 0 BGADHN C[C@H](N[C@@H]1CCO[C@H]1C)c1ccccc1Cl ZINC000119771880 176901579 /nfs/dbraw/zinc/90/15/79/176901579.db2.gz PNNGXVSTUJYRAH-OUJBWJOFSA-N 0 3 239.746 3.168 20 0 BGADHN C[C@H](N[C@H]1CCO[C@@H]1C)c1ccccc1Cl ZINC000119772006 384303782 /nfs/dbraw/zinc/30/37/82/384303782.db2.gz PNNGXVSTUJYRAH-CWSCBRNRSA-N 0 3 239.746 3.168 20 0 BGADHN C[C@H](N[C@H]1CCO[C@H]1C)c1ccccc1Cl ZINC000119772139 384302338 /nfs/dbraw/zinc/30/23/38/384302338.db2.gz PNNGXVSTUJYRAH-KWBADKCTSA-N 0 3 239.746 3.168 20 0 BGADHN CSCCCN(Cc1cccnc1)C(C)C ZINC000119772392 385205696 /nfs/dbraw/zinc/20/56/96/385205696.db2.gz HOZJOHDVZWFELH-UHFFFAOYSA-N 0 3 238.400 3.045 20 0 BGADHN COCCCCCNCc1ccccc1Cl ZINC000119781036 174183437 /nfs/dbraw/zinc/18/34/37/174183437.db2.gz VPJIBNJIDCLCJJ-UHFFFAOYSA-N 0 3 241.762 3.246 20 0 BGADHN Cc1ncc(CN(C(C)C)C2CCC2)s1 ZINC000119788320 180137688 /nfs/dbraw/zinc/13/76/88/180137688.db2.gz BMKLRWFHXQZOCC-UHFFFAOYSA-N 0 3 224.373 3.214 20 0 BGADHN CCC(CC)CN(CC)Cc1cncs1 ZINC000119799862 168349688 /nfs/dbraw/zinc/34/96/88/168349688.db2.gz DWVXYKSGFVZNKW-UHFFFAOYSA-N 0 3 226.389 3.401 20 0 BGADHN CCC(CC)CN(CC)Cc1cnn(CC)c1 ZINC000119800286 168350204 /nfs/dbraw/zinc/35/02/04/168350204.db2.gz UVZPSBGTYVPMAE-UHFFFAOYSA-N 0 3 237.391 3.161 20 0 BGADHN CCC(CC)CN(CC)Cc1ccnn1CC ZINC000119802281 168351200 /nfs/dbraw/zinc/35/12/00/168351200.db2.gz XDZTXYDQEFSFNS-UHFFFAOYSA-N 0 3 237.391 3.161 20 0 BGADHN CCN(CCCC1CCCC1)Cc1cnn(C)c1 ZINC000119805493 384305309 /nfs/dbraw/zinc/30/53/09/384305309.db2.gz DUDKSVFTTBSFTN-UHFFFAOYSA-N 0 3 249.402 3.212 20 0 BGADHN C[C@H](N[C@@H]1CCO[C@@H]1C)c1cccc(Cl)c1 ZINC000119812030 384304840 /nfs/dbraw/zinc/30/48/40/384304840.db2.gz OXZHWARTDVGFQH-OPQQBVKSSA-N 0 3 239.746 3.168 20 0 BGADHN C[C@H](N[C@@H]1CCO[C@H]1C)c1cccc(Cl)c1 ZINC000119812148 384305601 /nfs/dbraw/zinc/30/56/01/384305601.db2.gz OXZHWARTDVGFQH-OUJBWJOFSA-N 0 3 239.746 3.168 20 0 BGADHN C[C@H](N[C@H]1CCO[C@@H]1C)c1cccc(Cl)c1 ZINC000119812254 384306245 /nfs/dbraw/zinc/30/62/45/384306245.db2.gz OXZHWARTDVGFQH-CWSCBRNRSA-N 0 3 239.746 3.168 20 0 BGADHN C[C@H](N[C@H]1CCO[C@H]1C)c1cccc(Cl)c1 ZINC000119812450 384304622 /nfs/dbraw/zinc/30/46/22/384304622.db2.gz OXZHWARTDVGFQH-KWBADKCTSA-N 0 3 239.746 3.168 20 0 BGADHN C[C@H](N[C@@H]1CCO[C@@H]1C)c1ccc(Cl)cc1 ZINC000119813460 384306719 /nfs/dbraw/zinc/30/67/19/384306719.db2.gz RDLNKFMSXZEVLS-OPQQBVKSSA-N 0 3 239.746 3.168 20 0 BGADHN C[C@H](N[C@@H]1CCO[C@H]1C)c1ccc(Cl)cc1 ZINC000119813581 384304724 /nfs/dbraw/zinc/30/47/24/384304724.db2.gz RDLNKFMSXZEVLS-OUJBWJOFSA-N 0 3 239.746 3.168 20 0 BGADHN C[C@H](N[C@H]1CCO[C@@H]1C)c1ccc(Cl)cc1 ZINC000119813740 384306623 /nfs/dbraw/zinc/30/66/23/384306623.db2.gz RDLNKFMSXZEVLS-CWSCBRNRSA-N 0 3 239.746 3.168 20 0 BGADHN C[C@H](N[C@H]1CCO[C@H]1C)c1ccc(Cl)cc1 ZINC000119813897 384304444 /nfs/dbraw/zinc/30/44/44/384304444.db2.gz RDLNKFMSXZEVLS-KWBADKCTSA-N 0 3 239.746 3.168 20 0 BGADHN CCSCCN(C)[C@@H](CC)c1ccncc1 ZINC000119817913 383872630 /nfs/dbraw/zinc/87/26/30/383872630.db2.gz VPWVJBXEFWWDHV-ZDUSSCGKSA-N 0 3 238.400 3.218 20 0 BGADHN CCSCCN(C)[C@H](CC)c1ccncc1 ZINC000119818086 383871781 /nfs/dbraw/zinc/87/17/81/383871781.db2.gz VPWVJBXEFWWDHV-CYBMUJFWSA-N 0 3 238.400 3.218 20 0 BGADHN CC[C@@H](c1ccncc1)N(C)CCCSC ZINC000119824407 344866754 /nfs/dbraw/zinc/86/67/54/344866754.db2.gz GAPURPLRNABVJK-ZDUSSCGKSA-N 0 3 238.400 3.218 20 0 BGADHN CC[C@H](c1ccncc1)N(C)CCCSC ZINC000119824549 384309322 /nfs/dbraw/zinc/30/93/22/384309322.db2.gz GAPURPLRNABVJK-CYBMUJFWSA-N 0 3 238.400 3.218 20 0 BGADHN CCN(CCC(C)(C)C)Cc1ccccn1 ZINC000119846610 384308924 /nfs/dbraw/zinc/30/89/24/384308924.db2.gz YWCQWFFREYLQHM-UHFFFAOYSA-N 0 3 220.360 3.340 20 0 BGADHN COc1ccnc(CN[C@H]2CCCCC2(C)C)c1 ZINC000119853532 175359796 /nfs/dbraw/zinc/35/97/96/175359796.db2.gz JMMQLMQUWCLYGT-AWEZNQCLSA-N 0 3 248.370 3.149 20 0 BGADHN COc1ccnc(CN[C@@H]2CCCCC2(C)C)c1 ZINC000119853655 175360082 /nfs/dbraw/zinc/36/00/82/175360082.db2.gz JMMQLMQUWCLYGT-CQSZACIVSA-N 0 3 248.370 3.149 20 0 BGADHN CC(C)OCCCN1CCC[C@@H]1c1ccncc1 ZINC000119868088 167211227 /nfs/dbraw/zinc/21/12/27/167211227.db2.gz ORIPCSHCRMUSDF-OAHLLOKOSA-N 0 3 248.370 3.034 20 0 BGADHN CC(C)OCCCN1CCC[C@H]1c1ccncc1 ZINC000119868264 167211464 /nfs/dbraw/zinc/21/14/64/167211464.db2.gz ORIPCSHCRMUSDF-HNNXBMFYSA-N 0 3 248.370 3.034 20 0 BGADHN CS[C@@H](C)CNCc1cc(Cl)ccc1F ZINC000119871270 385177793 /nfs/dbraw/zinc/17/77/93/385177793.db2.gz LPSWXFBMGKGKCM-QMMMGPOBSA-N 0 3 247.766 3.320 20 0 BGADHN CS[C@H](C)CNCc1cc(Cl)ccc1F ZINC000119871424 385177414 /nfs/dbraw/zinc/17/74/14/385177414.db2.gz LPSWXFBMGKGKCM-MRVPVSSYSA-N 0 3 247.766 3.320 20 0 BGADHN CCN(CCC1CCCC1)Cc1ccccn1 ZINC000119879639 383916288 /nfs/dbraw/zinc/91/62/88/383916288.db2.gz VXPYJPCTBMOVTH-UHFFFAOYSA-N 0 3 232.371 3.484 20 0 BGADHN CC1CCC(N(C)Cc2cncs2)CC1 ZINC000119879839 168160062 /nfs/dbraw/zinc/16/00/62/168160062.db2.gz CIQUFNADGTXRMO-UHFFFAOYSA-N 0 3 224.373 3.154 20 0 BGADHN Cc1ncsc1CN(C)C1CCC(C)CC1 ZINC000119883472 180313643 /nfs/dbraw/zinc/31/36/43/180313643.db2.gz FBNAJVFISHRCAC-UHFFFAOYSA-N 0 3 238.400 3.462 20 0 BGADHN C[C@H](N[C@@H]1CCO[C@@H]1C)c1cc2ccccc2o1 ZINC000119895522 384313380 /nfs/dbraw/zinc/31/33/80/384313380.db2.gz VBOPVSVPWWWMBQ-DMDPSCGWSA-N 0 3 245.322 3.261 20 0 BGADHN C[C@H](N[C@@H]1CCO[C@H]1C)c1cc2ccccc2o1 ZINC000119895697 384313618 /nfs/dbraw/zinc/31/36/18/384313618.db2.gz VBOPVSVPWWWMBQ-GMXVVIOVSA-N 0 3 245.322 3.261 20 0 BGADHN C[C@H](N[C@H]1CCO[C@@H]1C)c1cc2ccccc2o1 ZINC000119895835 384314626 /nfs/dbraw/zinc/31/46/26/384314626.db2.gz VBOPVSVPWWWMBQ-LOWVWBTDSA-N 0 3 245.322 3.261 20 0 BGADHN C[C@H](N[C@H]1CCO[C@H]1C)c1cc2ccccc2o1 ZINC000119896015 384313725 /nfs/dbraw/zinc/31/37/25/384313725.db2.gz VBOPVSVPWWWMBQ-GVXVVHGQSA-N 0 3 245.322 3.261 20 0 BGADHN CCN(CCCF)Cc1cccc(F)c1 ZINC000119898489 383923233 /nfs/dbraw/zinc/92/32/33/383923233.db2.gz ZUSSLPGWGWRXJD-UHFFFAOYSA-N 0 3 213.271 3.007 20 0 BGADHN CCc1noc(C)c1CN(C)[C@@H](C)C1(C)CC1 ZINC000119904636 172074974 /nfs/dbraw/zinc/07/49/74/172074974.db2.gz DBHGLTNYCUNQRY-NSHDSACASA-N 0 3 236.359 3.166 20 0 BGADHN CCc1noc(C)c1CN(C)[C@H](C)C1(C)CC1 ZINC000119904779 172075516 /nfs/dbraw/zinc/07/55/16/172075516.db2.gz DBHGLTNYCUNQRY-LLVKDONJSA-N 0 3 236.359 3.166 20 0 BGADHN CN(Cc1cccc(Cl)c1)[C@@H]1CCSC1 ZINC000119909464 384316565 /nfs/dbraw/zinc/31/65/65/384316565.db2.gz KCHDJPNVRGVQEI-GFCCVEGCSA-N 0 3 241.787 3.277 20 0 BGADHN CN(Cc1cccc(Cl)c1)[C@H]1CCSC1 ZINC000119909613 384315632 /nfs/dbraw/zinc/31/56/32/384315632.db2.gz KCHDJPNVRGVQEI-LBPRGKRZSA-N 0 3 241.787 3.277 20 0 BGADHN CCCn1cc(CN2CCC[C@H]3CCC[C@@H]32)cn1 ZINC000119923163 384023639 /nfs/dbraw/zinc/02/36/39/384023639.db2.gz UTEJXLIKBGJSBZ-CABCVRRESA-N 0 3 247.386 3.058 20 0 BGADHN CCCn1cc(CN2CCC[C@@H]3CCC[C@@H]32)cn1 ZINC000119923330 384027523 /nfs/dbraw/zinc/02/75/23/384027523.db2.gz UTEJXLIKBGJSBZ-GJZGRUSLSA-N 0 3 247.386 3.058 20 0 BGADHN CN(C/C=C/c1ccccc1)[C@@H]1CCSC1 ZINC000119933977 384318537 /nfs/dbraw/zinc/31/85/37/384318537.db2.gz DACXNXJJKKLSJU-LHRNQBEKSA-N 0 3 233.380 3.137 20 0 BGADHN CN(C/C=C/c1ccccc1)[C@H]1CCSC1 ZINC000119934121 384319656 /nfs/dbraw/zinc/31/96/56/384319656.db2.gz DACXNXJJKKLSJU-GPAKFWEMSA-N 0 3 233.380 3.137 20 0 BGADHN CC[C@@H]1CCN(Cc2nc3ccc(F)cc3o2)C1 ZINC000119940664 171013471 /nfs/dbraw/zinc/01/34/71/171013471.db2.gz IQJXOIKCZAWDBR-SNVBAGLBSA-N 0 3 248.301 3.199 20 0 BGADHN CC[C@H]1CCN(Cc2nc3ccc(F)cc3o2)C1 ZINC000119940840 384032811 /nfs/dbraw/zinc/03/28/11/384032811.db2.gz IQJXOIKCZAWDBR-JTQLQIEISA-N 0 3 248.301 3.199 20 0 BGADHN c1ccc2c(c1)CN(C[C@H]1CC=CCC1)C2 ZINC000119946626 384034098 /nfs/dbraw/zinc/03/40/98/384034098.db2.gz NBRIIMDHJOIJNG-ZDUSSCGKSA-N 0 3 213.324 3.359 20 0 BGADHN c1ccc2c(c1)CN(C[C@@H]1CC=CCC1)C2 ZINC000119946788 188153468 /nfs/dbraw/zinc/15/34/68/188153468.db2.gz NBRIIMDHJOIJNG-CYBMUJFWSA-N 0 3 213.324 3.359 20 0 BGADHN CN(Cc1ccc(Cl)cc1)[C@@H]1CCSC1 ZINC000119970589 384321806 /nfs/dbraw/zinc/32/18/06/384321806.db2.gz BLQNWAPKXHYFMY-GFCCVEGCSA-N 0 3 241.787 3.277 20 0 BGADHN CN(Cc1ccc(Cl)cc1)[C@H]1CCSC1 ZINC000119970760 384320745 /nfs/dbraw/zinc/32/07/45/384320745.db2.gz BLQNWAPKXHYFMY-LBPRGKRZSA-N 0 3 241.787 3.277 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CCO[C@@H]2C)c(C)s1 ZINC000119989332 178252907 /nfs/dbraw/zinc/25/29/07/178252907.db2.gz JJTBHCVNISLSKG-OPQQBVKSSA-N 0 3 239.384 3.193 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2CCO[C@@H]2C)c(C)s1 ZINC000119989582 178257050 /nfs/dbraw/zinc/25/70/50/178257050.db2.gz JJTBHCVNISLSKG-CWSCBRNRSA-N 0 3 239.384 3.193 20 0 BGADHN CCN(Cc1ccn(C)c1)Cc1cccs1 ZINC000119993842 344872769 /nfs/dbraw/zinc/87/27/69/344872769.db2.gz YJFZZXOABTUKIA-UHFFFAOYSA-N 0 3 234.368 3.109 20 0 BGADHN CSc1ccc(CN(C)CCCF)cc1 ZINC000119995872 589353652 /nfs/dbraw/zinc/35/36/52/589353652.db2.gz QNNUTLTZLCDURJ-UHFFFAOYSA-N 0 3 227.348 3.200 20 0 BGADHN CC[C@@H](C)CN(C)Cc1cc(Cl)cn1C ZINC000120004064 387147972 /nfs/dbraw/zinc/14/79/72/387147972.db2.gz PLEQWYFFOYBJDE-SNVBAGLBSA-N 0 3 228.767 3.156 20 0 BGADHN CC[C@H](C)CN(C)Cc1cc(Cl)cn1C ZINC000120004211 171275241 /nfs/dbraw/zinc/27/52/41/171275241.db2.gz PLEQWYFFOYBJDE-JTQLQIEISA-N 0 3 228.767 3.156 20 0 BGADHN Cc1cccc(CN2CC[C@H](OCC(C)C)C2)c1 ZINC000120006955 179081568 /nfs/dbraw/zinc/08/15/68/179081568.db2.gz MZBZLNOMPAVJKC-INIZCTEOSA-N 0 3 247.382 3.242 20 0 BGADHN Cc1cccc(CN2CC[C@@H](OCC(C)C)C2)c1 ZINC000120007129 179079280 /nfs/dbraw/zinc/07/92/80/179079280.db2.gz MZBZLNOMPAVJKC-MRXNPFEDSA-N 0 3 247.382 3.242 20 0 BGADHN CCCCCN(C)Cc1cc(Cl)cn1C ZINC000120010186 387152485 /nfs/dbraw/zinc/15/24/85/387152485.db2.gz TWFGESVILJAYMQ-UHFFFAOYSA-N 0 3 228.767 3.301 20 0 BGADHN CCN(Cc1ccn(C)c1)Cc1cccc(F)c1 ZINC000120012934 357031808 /nfs/dbraw/zinc/03/18/08/357031808.db2.gz DQTKGYLAYUGWTP-UHFFFAOYSA-N 0 3 246.329 3.186 20 0 BGADHN CN(CCCF)Cc1cccc(Cl)c1 ZINC000120013078 398336841 /nfs/dbraw/zinc/33/68/41/398336841.db2.gz MIANQNGWPLIBNN-UHFFFAOYSA-N 0 3 215.699 3.131 20 0 BGADHN CN(Cc1cc(Cl)cn1C)CC1CCCC1 ZINC000120014530 387148386 /nfs/dbraw/zinc/14/83/86/387148386.db2.gz XYUZTUSTYRNTAC-UHFFFAOYSA-N 0 3 240.778 3.301 20 0 BGADHN CN(CCCF)CCOc1ccc(Cl)cc1 ZINC000120021819 398336766 /nfs/dbraw/zinc/33/67/66/398336766.db2.gz FFSSBUCLKCQDLX-UHFFFAOYSA-N 0 3 245.725 3.010 20 0 BGADHN CC(=O)CCN(C)[C@@H](C)c1cc2ccccc2o1 ZINC000120021823 589357143 /nfs/dbraw/zinc/35/71/43/589357143.db2.gz NKSVHETVXUTASH-LBPRGKRZSA-N 0 3 245.322 3.405 20 0 BGADHN CC(=O)CCN(C)[C@H](C)c1cc2ccccc2o1 ZINC000120021982 589356875 /nfs/dbraw/zinc/35/68/75/589356875.db2.gz NKSVHETVXUTASH-GFCCVEGCSA-N 0 3 245.322 3.405 20 0 BGADHN Cc1cc(CN[C@@H]2CCC(C)(C)C[C@@H]2C)no1 ZINC000120027179 178034278 /nfs/dbraw/zinc/03/42/78/178034278.db2.gz HMMXRKZLIXJKPR-GXFFZTMASA-N 0 3 236.359 3.287 20 0 BGADHN Cc1cc(CN[C@H]2CCC(C)(C)C[C@@H]2C)no1 ZINC000120027314 178038091 /nfs/dbraw/zinc/03/80/91/178038091.db2.gz HMMXRKZLIXJKPR-GWCFXTLKSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1cc(CN[C@@H]2CCC(C)(C)C[C@H]2C)no1 ZINC000120027474 178032749 /nfs/dbraw/zinc/03/27/49/178032749.db2.gz HMMXRKZLIXJKPR-ZWNOBZJWSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1cc(CN[C@H]2CCC(C)(C)C[C@H]2C)no1 ZINC000120027601 178040593 /nfs/dbraw/zinc/04/05/93/178040593.db2.gz HMMXRKZLIXJKPR-MFKMUULPSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1cc(CN[C@@H]2CCC(C)(C)C[C@@H]2C)on1 ZINC000120028315 178032652 /nfs/dbraw/zinc/03/26/52/178032652.db2.gz MTHMODOGJQUDGF-GXFFZTMASA-N 0 3 236.359 3.287 20 0 BGADHN Cc1cc(CN[C@H]2CCC(C)(C)C[C@@H]2C)on1 ZINC000120028451 178040540 /nfs/dbraw/zinc/04/05/40/178040540.db2.gz MTHMODOGJQUDGF-GWCFXTLKSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1cc(CN[C@@H]2CCC(C)(C)C[C@H]2C)on1 ZINC000120028587 178034058 /nfs/dbraw/zinc/03/40/58/178034058.db2.gz MTHMODOGJQUDGF-ZWNOBZJWSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1cc(CN[C@H]2CCC(C)(C)C[C@H]2C)on1 ZINC000120028702 178040559 /nfs/dbraw/zinc/04/05/59/178040559.db2.gz MTHMODOGJQUDGF-MFKMUULPSA-N 0 3 236.359 3.287 20 0 BGADHN CC[C@@H](COC)NCc1oc2ccccc2c1C ZINC000120079085 387156941 /nfs/dbraw/zinc/15/69/41/387156941.db2.gz PKIHJMJBLYTNAA-LBPRGKRZSA-N 0 3 247.338 3.256 20 0 BGADHN CC[C@H](COC)NCc1oc2ccccc2c1C ZINC000120079197 387157800 /nfs/dbraw/zinc/15/78/00/387157800.db2.gz PKIHJMJBLYTNAA-GFCCVEGCSA-N 0 3 247.338 3.256 20 0 BGADHN Cc1cccc(N2CCN(C3CCCC3)CC2)c1 ZINC000120079428 387176322 /nfs/dbraw/zinc/17/63/22/387176322.db2.gz WUPFFWZKFHJQNK-UHFFFAOYSA-N 0 3 244.382 3.060 20 0 BGADHN c1coc(CN(C2CC2)C2CCCC2)c1 ZINC000120081457 387176270 /nfs/dbraw/zinc/17/62/70/387176270.db2.gz DOAOUGHLVIFAAU-UHFFFAOYSA-N 0 3 205.301 3.187 20 0 BGADHN Cc1ccccc1N1CCN(C2CCCC2)CC1 ZINC000120084760 343107239 /nfs/dbraw/zinc/10/72/39/343107239.db2.gz PUWDHGGXSWUUHO-UHFFFAOYSA-N 0 3 244.382 3.060 20 0 BGADHN Cc1ncsc1CN(C)C1CCCCC1 ZINC000120093789 180313241 /nfs/dbraw/zinc/31/32/41/180313241.db2.gz RVLWQWYTQBKPJO-UHFFFAOYSA-N 0 3 224.373 3.216 20 0 BGADHN C[C@]1(NCc2csc3ccccc23)CCOC1 ZINC000120113844 387187341 /nfs/dbraw/zinc/18/73/41/387187341.db2.gz XMIBQSDFDZQOPC-AWEZNQCLSA-N 0 3 247.363 3.170 20 0 BGADHN C[C@@]1(NCc2csc3ccccc23)CCOC1 ZINC000120113987 384455726 /nfs/dbraw/zinc/45/57/26/384455726.db2.gz XMIBQSDFDZQOPC-CQSZACIVSA-N 0 3 247.363 3.170 20 0 BGADHN CN(Cc1cc(Cl)cn1C)C1CCCC1 ZINC000120115274 384329871 /nfs/dbraw/zinc/32/98/71/384329871.db2.gz AFLBDRPZTBKXFK-UHFFFAOYSA-N 0 3 226.751 3.053 20 0 BGADHN CC(C)(C)n1cc(CNCCC2=CCCC2)cn1 ZINC000120128285 384328658 /nfs/dbraw/zinc/32/86/58/384328658.db2.gz OPZSJEKAAJZZRT-UHFFFAOYSA-N 0 3 247.386 3.228 20 0 BGADHN Cc1ccoc1CNCCC1=CCCC1 ZINC000120129484 385272474 /nfs/dbraw/zinc/27/24/74/385272474.db2.gz WVJCDSHOUUBIDN-UHFFFAOYSA-N 0 3 205.301 3.178 20 0 BGADHN Clc1ncccc1CNCCC1=CCCC1 ZINC000120130269 384327884 /nfs/dbraw/zinc/32/78/84/384327884.db2.gz RXFJOARSHJHOMM-UHFFFAOYSA-N 0 3 236.746 3.325 20 0 BGADHN CC(C)Cc1ccc(CN[C@]2(C)CCOC2)cc1 ZINC000120132940 387185319 /nfs/dbraw/zinc/18/53/19/387185319.db2.gz ZHUFYWZASSVFOC-MRXNPFEDSA-N 0 3 247.382 3.154 20 0 BGADHN C[C@@H]1CN(C2CCCC2)C[C@H](c2ccccc2)O1 ZINC000120132966 387173307 /nfs/dbraw/zinc/17/33/07/387173307.db2.gz AGYKEQKDXQOPSV-CZUORRHYSA-N 0 3 245.366 3.391 20 0 BGADHN CC(C)Cc1ccc(CN[C@@]2(C)CCOC2)cc1 ZINC000120133099 387188919 /nfs/dbraw/zinc/18/89/19/387188919.db2.gz ZHUFYWZASSVFOC-INIZCTEOSA-N 0 3 247.382 3.154 20 0 BGADHN C[C@H]1CN(C2CCCC2)C[C@H](c2ccccc2)O1 ZINC000120133131 387174570 /nfs/dbraw/zinc/17/45/70/387174570.db2.gz AGYKEQKDXQOPSV-XJKSGUPXSA-N 0 3 245.366 3.391 20 0 BGADHN Cc1ccc(CNCCC2=CCCC2)o1 ZINC000120133777 178603989 /nfs/dbraw/zinc/60/39/89/178603989.db2.gz FGAQIGDAKCJKKJ-UHFFFAOYSA-N 0 3 205.301 3.178 20 0 BGADHN CCc1nc(CNCCC2=CCCC2)cs1 ZINC000120135428 171983775 /nfs/dbraw/zinc/98/37/75/171983775.db2.gz QKKYHWYXNDYCRU-UHFFFAOYSA-N 0 3 236.384 3.296 20 0 BGADHN C[C@@H]1CO[C@H](c2ccccc2)CN1C1CCCC1 ZINC000120135617 343109842 /nfs/dbraw/zinc/10/98/42/343109842.db2.gz WCBHLCSDIJAFPX-CJNGLKHVSA-N 0 3 245.366 3.391 20 0 BGADHN C[C@H]1CO[C@H](c2ccccc2)CN1C1CCCC1 ZINC000120135739 343109988 /nfs/dbraw/zinc/10/99/88/343109988.db2.gz WCBHLCSDIJAFPX-BBRMVZONSA-N 0 3 245.366 3.391 20 0 BGADHN C[C@@H]1CO[C@@H](c2ccccc2)CN1C1CCCC1 ZINC000120135917 343109973 /nfs/dbraw/zinc/10/99/73/343109973.db2.gz WCBHLCSDIJAFPX-CZUORRHYSA-N 0 3 245.366 3.391 20 0 BGADHN C[C@H]1CO[C@@H](c2ccccc2)CN1C1CCCC1 ZINC000120136051 343109809 /nfs/dbraw/zinc/10/98/09/343109809.db2.gz WCBHLCSDIJAFPX-XJKSGUPXSA-N 0 3 245.366 3.391 20 0 BGADHN Cc1ncc(CNCCC2=CCCC2)s1 ZINC000120139161 385272289 /nfs/dbraw/zinc/27/22/89/385272289.db2.gz JBMLTWLXPBWFQT-UHFFFAOYSA-N 0 3 222.357 3.042 20 0 BGADHN CC(C)(C)c1ccc(CN[C@@]2(C)CCOC2)cc1 ZINC000120146369 323980002 /nfs/dbraw/zinc/98/00/02/323980002.db2.gz LSYJQTMZUYTPDH-INIZCTEOSA-N 0 3 247.382 3.253 20 0 BGADHN CC(C)(C)c1ccc(CN[C@]2(C)CCOC2)cc1 ZINC000120146525 387177705 /nfs/dbraw/zinc/17/77/05/387177705.db2.gz LSYJQTMZUYTPDH-MRXNPFEDSA-N 0 3 247.382 3.253 20 0 BGADHN CCN(Cc1ccon1)[C@@H]1CCCC[C@@H]1C ZINC000120148155 357037122 /nfs/dbraw/zinc/03/71/22/357037122.db2.gz WCFFPOCCXSPFEW-WCQYABFASA-N 0 3 222.332 3.075 20 0 BGADHN CCN(Cc1ccon1)[C@H]1CCCC[C@@H]1C ZINC000120148314 357036933 /nfs/dbraw/zinc/03/69/33/357036933.db2.gz WCFFPOCCXSPFEW-AAEUAGOBSA-N 0 3 222.332 3.075 20 0 BGADHN CN(CCCF)Cc1ccc(Cl)cc1 ZINC000120149219 398337039 /nfs/dbraw/zinc/33/70/39/398337039.db2.gz BLAOWKMPUVOJLX-UHFFFAOYSA-N 0 3 215.699 3.131 20 0 BGADHN Cc1ccccc1[C@@H]1CN(C2CCCC2)CCO1 ZINC000120150915 343109820 /nfs/dbraw/zinc/10/98/20/343109820.db2.gz DANIQOBMODVKDO-INIZCTEOSA-N 0 3 245.366 3.311 20 0 BGADHN Cc1ccccc1[C@H]1CN(C2CCCC2)CCO1 ZINC000120151033 344880348 /nfs/dbraw/zinc/88/03/48/344880348.db2.gz DANIQOBMODVKDO-MRXNPFEDSA-N 0 3 245.366 3.311 20 0 BGADHN CCN(Cc1ncc(C)o1)[C@@H]1CCCC[C@@H]1C ZINC000120156598 387178286 /nfs/dbraw/zinc/17/82/86/387178286.db2.gz SGXSAQANFDJRRX-WCQYABFASA-N 0 3 236.359 3.384 20 0 BGADHN CCN(Cc1ncc(C)o1)[C@H]1CCCC[C@@H]1C ZINC000120156715 387178559 /nfs/dbraw/zinc/17/85/59/387178559.db2.gz SGXSAQANFDJRRX-AAEUAGOBSA-N 0 3 236.359 3.384 20 0 BGADHN CCc1ccc(CNCCC2=CCCC2)o1 ZINC000120157939 171804993 /nfs/dbraw/zinc/80/49/93/171804993.db2.gz QSPHAMDAQUPSKI-UHFFFAOYSA-N 0 3 219.328 3.432 20 0 BGADHN Cc1nc(CNCCC2=CCCC2)cs1 ZINC000120158295 385269134 /nfs/dbraw/zinc/26/91/34/385269134.db2.gz ZUCPBSPAYVGDHL-UHFFFAOYSA-N 0 3 222.357 3.042 20 0 BGADHN COc1ccccc1CNCCC1=CCCC1 ZINC000120161061 188248340 /nfs/dbraw/zinc/24/83/40/188248340.db2.gz KUQVRXFEBUENTH-UHFFFAOYSA-N 0 3 231.339 3.285 20 0 BGADHN C1=C(CCNCc2cccc3c2OCO3)CCC1 ZINC000120161742 188247643 /nfs/dbraw/zinc/24/76/43/188247643.db2.gz ABFFQRLRJWSZFF-UHFFFAOYSA-N 0 3 245.322 3.005 20 0 BGADHN Cc1csc(CNCCC2=CCCC2)n1 ZINC000120163376 398337079 /nfs/dbraw/zinc/33/70/79/398337079.db2.gz RTFGFQQDPPFLPV-UHFFFAOYSA-N 0 3 222.357 3.042 20 0 BGADHN C[C@]1(c2ccccc2)CN(C2CCCC2)CCO1 ZINC000120163974 343110803 /nfs/dbraw/zinc/11/08/03/343110803.db2.gz YPOKIDOEZLXELV-MRXNPFEDSA-N 0 3 245.366 3.177 20 0 BGADHN C[C@@]1(c2ccccc2)CN(C2CCCC2)CCO1 ZINC000120164155 343110524 /nfs/dbraw/zinc/11/05/24/343110524.db2.gz YPOKIDOEZLXELV-INIZCTEOSA-N 0 3 245.366 3.177 20 0 BGADHN Cl/C=C/CN1CC[C@@H](c2ccccc2)C1 ZINC000120167216 589388981 /nfs/dbraw/zinc/38/89/81/589388981.db2.gz IQQPRLFMSKPPAA-FLUIGGAXSA-N 0 3 221.731 3.228 20 0 BGADHN Cl/C=C/CN1CC[C@H](c2ccccc2)C1 ZINC000120167368 589389127 /nfs/dbraw/zinc/38/91/27/589389127.db2.gz IQQPRLFMSKPPAA-GBVBUYCNSA-N 0 3 221.731 3.228 20 0 BGADHN Fc1ccccc1CNCCC1=CCCC1 ZINC000120173913 181011630 /nfs/dbraw/zinc/01/16/30/181011630.db2.gz LYDYGKKIYJLWTB-UHFFFAOYSA-N 0 3 219.303 3.416 20 0 BGADHN C[C@H](SCCN(C)C)c1ccc(F)cc1F ZINC000120187297 387179792 /nfs/dbraw/zinc/17/97/92/387179792.db2.gz YWUNKAZBCZNOJT-VIFPVBQESA-N 0 3 245.338 3.321 20 0 BGADHN C[C@@H](SCCN(C)C)c1ccc(F)cc1F ZINC000120187427 323980603 /nfs/dbraw/zinc/98/06/03/323980603.db2.gz YWUNKAZBCZNOJT-SECBINFHSA-N 0 3 245.338 3.321 20 0 BGADHN C[C@H](SCCN(C)C)c1ccc(F)cc1 ZINC000120199837 177027018 /nfs/dbraw/zinc/02/70/18/177027018.db2.gz FPKHWLDMYKBAQE-JTQLQIEISA-N 0 3 227.348 3.182 20 0 BGADHN C[C@@H](SCCN(C)C)c1ccc(F)cc1 ZINC000120199995 176008407 /nfs/dbraw/zinc/00/84/07/176008407.db2.gz FPKHWLDMYKBAQE-SNVBAGLBSA-N 0 3 227.348 3.182 20 0 BGADHN C[C@H](SCCN(C)C)c1cc(F)ccc1F ZINC000120200170 384338049 /nfs/dbraw/zinc/33/80/49/384338049.db2.gz XEGOXGRVQQIGMR-VIFPVBQESA-N 0 3 245.338 3.321 20 0 BGADHN C[C@@H](SCCN(C)C)c1cc(F)ccc1F ZINC000120200311 387181465 /nfs/dbraw/zinc/18/14/65/387181465.db2.gz XEGOXGRVQQIGMR-SECBINFHSA-N 0 3 245.338 3.321 20 0 BGADHN CC(C)c1ccc(CN[C@]2(C)CCOC2)cc1 ZINC000120200351 386663841 /nfs/dbraw/zinc/66/38/41/386663841.db2.gz SSGOPTSQEMBIOJ-OAHLLOKOSA-N 0 3 233.355 3.079 20 0 BGADHN CC(C)c1ccc(CN[C@@]2(C)CCOC2)cc1 ZINC000120200502 386663446 /nfs/dbraw/zinc/66/34/46/386663446.db2.gz SSGOPTSQEMBIOJ-HNNXBMFYSA-N 0 3 233.355 3.079 20 0 BGADHN Cc1cc(C)cc(CSCCN(C)C)c1 ZINC000120203834 187385940 /nfs/dbraw/zinc/38/59/40/187385940.db2.gz YMJOFGGBWRDKNV-UHFFFAOYSA-N 0 3 223.385 3.098 20 0 BGADHN C[C@]1(NCc2ccc3ccccc3c2)CCOC1 ZINC000120213253 384336954 /nfs/dbraw/zinc/33/69/54/384336954.db2.gz XJIICYUMYSGRLP-INIZCTEOSA-N 0 3 241.334 3.108 20 0 BGADHN C[C@@]1(NCc2ccc3ccccc3c2)CCOC1 ZINC000120213407 384337817 /nfs/dbraw/zinc/33/78/17/384337817.db2.gz XJIICYUMYSGRLP-MRXNPFEDSA-N 0 3 241.334 3.108 20 0 BGADHN CN(C)CCSCc1ccc2ccccc2n1 ZINC000120215472 387180698 /nfs/dbraw/zinc/18/06/98/387180698.db2.gz ICTVSIJRTUPWHL-UHFFFAOYSA-N 0 3 246.379 3.030 20 0 BGADHN Cc1csc([C@H](NC2CCCC2)C2CC2)n1 ZINC000120228084 343112669 /nfs/dbraw/zinc/11/26/69/343112669.db2.gz PGEHJVXEFLOUDK-GFCCVEGCSA-N 0 3 236.384 3.435 20 0 BGADHN Cc1csc([C@@H](NC2CCCC2)C2CC2)n1 ZINC000120228230 343112649 /nfs/dbraw/zinc/11/26/49/343112649.db2.gz PGEHJVXEFLOUDK-LBPRGKRZSA-N 0 3 236.384 3.435 20 0 BGADHN C[C@H](SCCN(C)C)c1ccccc1 ZINC000120230191 177026797 /nfs/dbraw/zinc/02/67/97/177026797.db2.gz VONMSNZRAOHNPP-NSHDSACASA-N 0 3 209.358 3.042 20 0 BGADHN CCN(Cc1nccn1C(C)C)[C@@H](C)C(C)C ZINC000120230320 357042074 /nfs/dbraw/zinc/04/20/74/357042074.db2.gz FMYGORNYJIYALX-ZDUSSCGKSA-N 0 3 237.391 3.330 20 0 BGADHN C[C@@H](SCCN(C)C)c1ccccc1 ZINC000120230356 176007807 /nfs/dbraw/zinc/00/78/07/176007807.db2.gz VONMSNZRAOHNPP-LLVKDONJSA-N 0 3 209.358 3.042 20 0 BGADHN CCN(Cc1nccn1C(C)C)[C@H](C)C(C)C ZINC000120230486 357042434 /nfs/dbraw/zinc/04/24/34/357042434.db2.gz FMYGORNYJIYALX-CYBMUJFWSA-N 0 3 237.391 3.330 20 0 BGADHN Cc1ccc(C)c(CSCCN(C)C)c1 ZINC000120239076 387213441 /nfs/dbraw/zinc/21/34/41/387213441.db2.gz NCYMLHXLOMBNHQ-UHFFFAOYSA-N 0 3 223.385 3.098 20 0 BGADHN CCN(Cc1csc(C)n1)[C@@H](C)C(C)C ZINC000120251704 344883516 /nfs/dbraw/zinc/88/35/16/344883516.db2.gz UZKJYUDHMXGBPB-JTQLQIEISA-N 0 3 226.389 3.318 20 0 BGADHN CCN(Cc1csc(C)n1)[C@H](C)C(C)C ZINC000120251873 344883557 /nfs/dbraw/zinc/88/35/57/344883557.db2.gz UZKJYUDHMXGBPB-SNVBAGLBSA-N 0 3 226.389 3.318 20 0 BGADHN C[C@@H](C1CC1)N(C)Cc1ccc(F)cc1F ZINC000120260201 343113712 /nfs/dbraw/zinc/11/37/12/343113712.db2.gz FNIGTLTYEKKFAS-VIFPVBQESA-N 0 3 225.282 3.195 20 0 BGADHN C[C@H](C1CC1)N(C)Cc1ccc(F)cc1F ZINC000120260352 343113722 /nfs/dbraw/zinc/11/37/22/343113722.db2.gz FNIGTLTYEKKFAS-SECBINFHSA-N 0 3 225.282 3.195 20 0 BGADHN Cc1csc(SCCN2CCCCC2)n1 ZINC000120278121 384344362 /nfs/dbraw/zinc/34/43/62/384344362.db2.gz IGYRAXPZOQOPBC-UHFFFAOYSA-N 0 3 242.413 3.030 20 0 BGADHN Cc1ccc(CN(C)CC2=CCCOC2)c(C)c1 ZINC000120294397 490060160 /nfs/dbraw/zinc/06/01/60/490060160.db2.gz ZYOJUZDMMBAYFS-UHFFFAOYSA-N 0 3 245.366 3.082 20 0 BGADHN FCCCN1CC=C(c2ccccc2)CC1 ZINC000120352710 387231571 /nfs/dbraw/zinc/23/15/71/387231571.db2.gz VMTNCEPGVMPGLC-UHFFFAOYSA-N 0 3 219.303 3.135 20 0 BGADHN COC[C@H](C)NCc1ccc(-c2ccccc2)o1 ZINC000120397469 386661860 /nfs/dbraw/zinc/66/18/60/386661860.db2.gz KJGMIIWILWPOQY-LBPRGKRZSA-N 0 3 245.322 3.071 20 0 BGADHN COC[C@@H](C)NCc1ccc(-c2ccccc2)o1 ZINC000120397603 386660255 /nfs/dbraw/zinc/66/02/55/386660255.db2.gz KJGMIIWILWPOQY-GFCCVEGCSA-N 0 3 245.322 3.071 20 0 BGADHN C[C@H](NC[C@]1(C)CCCS1)c1cncs1 ZINC000120425767 385324845 /nfs/dbraw/zinc/32/48/45/385324845.db2.gz NUIXTCXAJQAUOV-ONGXEEELSA-N 0 3 242.413 3.079 20 0 BGADHN C[C@@H](NC[C@]1(C)CCCS1)c1cncs1 ZINC000120425939 385325043 /nfs/dbraw/zinc/32/50/43/385325043.db2.gz NUIXTCXAJQAUOV-KOLCDFICSA-N 0 3 242.413 3.079 20 0 BGADHN C[C@H](NC[C@@]1(C)CCCS1)c1cncs1 ZINC000120426042 385323711 /nfs/dbraw/zinc/32/37/11/385323711.db2.gz NUIXTCXAJQAUOV-GXSJLCMTSA-N 0 3 242.413 3.079 20 0 BGADHN C[C@@H](NC[C@@]1(C)CCCS1)c1cncs1 ZINC000120426227 175890061 /nfs/dbraw/zinc/89/00/61/175890061.db2.gz NUIXTCXAJQAUOV-MWLCHTKSSA-N 0 3 242.413 3.079 20 0 BGADHN Cc1nc(CN(C)[C@@H]2CCCC[C@@H]2C)cs1 ZINC000120432418 387244229 /nfs/dbraw/zinc/24/42/29/387244229.db2.gz IKMSEFVEMIVUSP-GXFFZTMASA-N 0 3 238.400 3.462 20 0 BGADHN Cc1nc(CN(C)[C@H]2CCCC[C@@H]2C)cs1 ZINC000120432566 387245436 /nfs/dbraw/zinc/24/54/36/387245436.db2.gz IKMSEFVEMIVUSP-GWCFXTLKSA-N 0 3 238.400 3.462 20 0 BGADHN Cc1cccc(CN[C@@H](C)CC(F)(F)F)c1 ZINC000120435172 179096446 /nfs/dbraw/zinc/09/64/46/179096446.db2.gz RIQKEYYDXBKBPI-JTQLQIEISA-N 0 3 231.261 3.426 20 0 BGADHN Cc1cccc(CN[C@H](C)CC(F)(F)F)c1 ZINC000120435312 179099213 /nfs/dbraw/zinc/09/92/13/179099213.db2.gz RIQKEYYDXBKBPI-SNVBAGLBSA-N 0 3 231.261 3.426 20 0 BGADHN Cc1cccc(C[NH2+]Cc2ccc([O-])c(F)c2)c1 ZINC000120463835 179093548 /nfs/dbraw/zinc/09/35/48/179093548.db2.gz DOXBEQSWKJAOTA-UHFFFAOYSA-N 0 3 245.297 3.130 20 0 BGADHN CCN(CC)[C@@H](C)c1cc(F)ccc1F ZINC000120486194 387249195 /nfs/dbraw/zinc/24/91/95/387249195.db2.gz JBMPTCRGTWUNFY-VIFPVBQESA-N 0 3 213.271 3.368 20 0 BGADHN CCN(CC)[C@H](C)c1cc(F)ccc1F ZINC000120486364 387249349 /nfs/dbraw/zinc/24/93/49/387249349.db2.gz JBMPTCRGTWUNFY-SECBINFHSA-N 0 3 213.271 3.368 20 0 BGADHN C[C@@H](c1cccnc1)N(C)CCc1ccccc1 ZINC000120523699 176029461 /nfs/dbraw/zinc/02/94/61/176029461.db2.gz XPCZBOIRSJNCGU-AWEZNQCLSA-N 0 3 240.350 3.317 20 0 BGADHN C[C@H](c1cccnc1)N(C)CCc1ccccc1 ZINC000120523852 177044992 /nfs/dbraw/zinc/04/49/92/177044992.db2.gz XPCZBOIRSJNCGU-CQSZACIVSA-N 0 3 240.350 3.317 20 0 BGADHN Cc1nc(CN(C)C(C2CC2)C2CC2)cs1 ZINC000120573807 387255214 /nfs/dbraw/zinc/25/52/14/387255214.db2.gz YOMUZIKSNQSDIG-UHFFFAOYSA-N 0 3 236.384 3.072 20 0 BGADHN Cc1nc(CN2CCC[C@@H]2CC(C)C)cs1 ZINC000120582765 387255480 /nfs/dbraw/zinc/25/54/80/387255480.db2.gz XKTSCRXCXKDVBH-CYBMUJFWSA-N 0 3 238.400 3.462 20 0 BGADHN Cc1nc(CN2CCC[C@H]2CC(C)C)cs1 ZINC000120582956 387254412 /nfs/dbraw/zinc/25/44/12/387254412.db2.gz XKTSCRXCXKDVBH-ZDUSSCGKSA-N 0 3 238.400 3.462 20 0 BGADHN CC(C)Oc1cccc(CN(C)CCCF)c1 ZINC000120594330 167304965 /nfs/dbraw/zinc/30/49/65/167304965.db2.gz UADJTRLYQQWLNR-UHFFFAOYSA-N 0 3 239.334 3.265 20 0 BGADHN Cc1ccoc1CNCCCSCC(C)C ZINC000120633811 387259878 /nfs/dbraw/zinc/25/98/78/387259878.db2.gz LXAZHBIPGSTNNT-UHFFFAOYSA-N 0 3 241.400 3.457 20 0 BGADHN C[C@@H](c1ccncc1)N(C)Cc1ccccc1 ZINC000120643302 176035659 /nfs/dbraw/zinc/03/56/59/176035659.db2.gz JQSCIRHEYCQNPY-ZDUSSCGKSA-N 0 3 226.323 3.275 20 0 BGADHN C[C@H](c1ccncc1)N(C)Cc1ccccc1 ZINC000120643466 177050210 /nfs/dbraw/zinc/05/02/10/177050210.db2.gz JQSCIRHEYCQNPY-CYBMUJFWSA-N 0 3 226.323 3.275 20 0 BGADHN CC(C)CSCCCNCc1ccco1 ZINC000120647184 385399930 /nfs/dbraw/zinc/39/99/30/385399930.db2.gz TYGCRUZKVPOGTG-UHFFFAOYSA-N 0 3 227.373 3.149 20 0 BGADHN Cc1ccc(CNCCCSCC(C)C)o1 ZINC000120647347 387259102 /nfs/dbraw/zinc/25/91/02/387259102.db2.gz VQWHPNPXBYSRAZ-UHFFFAOYSA-N 0 3 241.400 3.457 20 0 BGADHN CCOCCNCc1ccc(-c2ccccc2)o1 ZINC000120657501 384369079 /nfs/dbraw/zinc/36/90/79/384369079.db2.gz QMPGJFITMDXIBN-UHFFFAOYSA-N 0 3 245.322 3.073 20 0 BGADHN Cc1nc(CN2CCC[C@@H]2C2CCC2)cs1 ZINC000120666079 387261880 /nfs/dbraw/zinc/26/18/80/387261880.db2.gz WYKKGVQOMNOPGG-CYBMUJFWSA-N 0 3 236.384 3.216 20 0 BGADHN Cc1nc(CN2CCC[C@H]2C2CCC2)cs1 ZINC000120666233 387263123 /nfs/dbraw/zinc/26/31/23/387263123.db2.gz WYKKGVQOMNOPGG-ZDUSSCGKSA-N 0 3 236.384 3.216 20 0 BGADHN CCN(Cc1nc2ccccc2[nH]1)[C@@H](C)C(C)C ZINC000120692400 357057331 /nfs/dbraw/zinc/05/73/31/357057331.db2.gz XZRWTCZOOPQXRY-LBPRGKRZSA-N 0 3 245.370 3.429 20 0 BGADHN CCN(Cc1nc2ccccc2[nH]1)[C@H](C)C(C)C ZINC000120692560 357057695 /nfs/dbraw/zinc/05/76/95/357057695.db2.gz XZRWTCZOOPQXRY-GFCCVEGCSA-N 0 3 245.370 3.429 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1N(C)Cc1nccn1CC ZINC000120782905 343133510 /nfs/dbraw/zinc/13/35/10/343133510.db2.gz ZYHHQBNNDSNXIO-KGLIPLIRSA-N 0 3 249.402 3.304 20 0 BGADHN CC[C@H]1CCCC[C@@H]1N(C)Cc1nccn1CC ZINC000120783058 343133570 /nfs/dbraw/zinc/13/35/70/343133570.db2.gz ZYHHQBNNDSNXIO-KBPBESRZSA-N 0 3 249.402 3.304 20 0 BGADHN CC[C@@H]1CCCC[C@H]1N(C)Cc1nccn1CC ZINC000120783196 344901541 /nfs/dbraw/zinc/90/15/41/344901541.db2.gz ZYHHQBNNDSNXIO-ZIAGYGMSSA-N 0 3 249.402 3.304 20 0 BGADHN CC(C)CN[C@@H](C)c1nc2c(s1)CCCC2 ZINC000120783216 167012472 /nfs/dbraw/zinc/01/24/72/167012472.db2.gz DDLKVSBTABSPGY-JTQLQIEISA-N 0 3 238.400 3.329 20 0 BGADHN CC[C@H]1CCCC[C@H]1N(C)Cc1nccn1CC ZINC000120783355 343133548 /nfs/dbraw/zinc/13/35/48/343133548.db2.gz ZYHHQBNNDSNXIO-UONOGXRCSA-N 0 3 249.402 3.304 20 0 BGADHN CC(C)CN[C@H](C)c1nc2c(s1)CCCC2 ZINC000120783362 167013651 /nfs/dbraw/zinc/01/36/51/167013651.db2.gz DDLKVSBTABSPGY-SNVBAGLBSA-N 0 3 238.400 3.329 20 0 BGADHN CC(C)CNC1(c2ccccc2F)CC1 ZINC000120797053 167002737 /nfs/dbraw/zinc/00/27/37/167002737.db2.gz ZJQSGBBDQGGCKL-UHFFFAOYSA-N 0 3 207.292 3.060 20 0 BGADHN CCCC[C@@H](COC)NCc1cc(C)oc1C ZINC000120799385 589466955 /nfs/dbraw/zinc/46/69/55/589466955.db2.gz DLTRDIJDGXSSGM-AWEZNQCLSA-N 0 3 239.359 3.191 20 0 BGADHN CCCC[C@H](COC)NCc1cc(C)oc1C ZINC000120799529 589466885 /nfs/dbraw/zinc/46/68/85/589466885.db2.gz DLTRDIJDGXSSGM-CQSZACIVSA-N 0 3 239.359 3.191 20 0 BGADHN CSCC[C@H](C)NCc1cc(C)oc1C ZINC000120802508 589468905 /nfs/dbraw/zinc/46/89/05/589468905.db2.gz GVCVYAKZHUNABL-VIFPVBQESA-N 0 3 227.373 3.128 20 0 BGADHN CSCC[C@@H](C)NCc1cc(C)oc1C ZINC000120802659 589468969 /nfs/dbraw/zinc/46/89/69/589468969.db2.gz GVCVYAKZHUNABL-SECBINFHSA-N 0 3 227.373 3.128 20 0 BGADHN C[C@@H]1CCN(Cc2ccc(F)cc2F)[C@@H]1C ZINC000120824399 176174326 /nfs/dbraw/zinc/17/43/26/176174326.db2.gz NZFXEZMYNGLBEQ-NXEZZACHSA-N 0 3 225.282 3.195 20 0 BGADHN C[C@@H]1[C@@H](C)CCN1Cc1ccc(F)cc1F ZINC000120824526 177163526 /nfs/dbraw/zinc/16/35/26/177163526.db2.gz NZFXEZMYNGLBEQ-VHSXEESVSA-N 0 3 225.282 3.195 20 0 BGADHN Cc1nc(CN(CC2CC2)CC2CC2)cs1 ZINC000120839547 387276250 /nfs/dbraw/zinc/27/62/50/387276250.db2.gz HMBAQCPAEPAJQY-UHFFFAOYSA-N 0 3 236.384 3.074 20 0 BGADHN C[C@H](C[C@H](O)c1ccco1)N[C@@H](C)c1ccco1 ZINC000120871383 589473039 /nfs/dbraw/zinc/47/30/39/589473039.db2.gz XMXKZLDKXGZIJV-WOPDTQHZSA-N 0 3 249.310 3.035 20 0 BGADHN C[C@H](C[C@@H](O)c1ccco1)N[C@@H](C)c1ccco1 ZINC000120871712 589473237 /nfs/dbraw/zinc/47/32/37/589473237.db2.gz XMXKZLDKXGZIJV-GRYCIOLGSA-N 0 3 249.310 3.035 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1N(C)Cc1ccon1 ZINC000120886871 357067571 /nfs/dbraw/zinc/06/75/71/357067571.db2.gz OSFXDMOQAPWOLT-YPMHNXCESA-N 0 3 222.332 3.075 20 0 BGADHN CC[C@H]1CCCC[C@@H]1N(C)Cc1ccon1 ZINC000120887047 188249545 /nfs/dbraw/zinc/24/95/45/188249545.db2.gz OSFXDMOQAPWOLT-AAEUAGOBSA-N 0 3 222.332 3.075 20 0 BGADHN CC[C@@H]1CCCC[C@H]1N(C)Cc1ccon1 ZINC000120887193 357067561 /nfs/dbraw/zinc/06/75/61/357067561.db2.gz OSFXDMOQAPWOLT-DGCLKSJQSA-N 0 3 222.332 3.075 20 0 BGADHN CC[C@H]1CCCC[C@H]1N(C)Cc1ccon1 ZINC000120887359 387279293 /nfs/dbraw/zinc/27/92/93/387279293.db2.gz OSFXDMOQAPWOLT-WCQYABFASA-N 0 3 222.332 3.075 20 0 BGADHN CCC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000120895283 169417825 /nfs/dbraw/zinc/41/78/25/169417825.db2.gz MOEXJCFFSYZANC-CYBMUJFWSA-N 0 3 218.344 3.094 20 0 BGADHN CCC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000120895422 384387682 /nfs/dbraw/zinc/38/76/82/384387682.db2.gz MOEXJCFFSYZANC-ZDUSSCGKSA-N 0 3 218.344 3.094 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1N(C)Cc1ncc(C)o1 ZINC000120902022 384386680 /nfs/dbraw/zinc/38/66/80/384386680.db2.gz UAEZNQLXERYPDT-OLZOCXBDSA-N 0 3 236.359 3.384 20 0 BGADHN CC[C@H]1CCCC[C@@H]1N(C)Cc1ncc(C)o1 ZINC000120902155 324000050 /nfs/dbraw/zinc/00/00/50/324000050.db2.gz UAEZNQLXERYPDT-STQMWFEESA-N 0 3 236.359 3.384 20 0 BGADHN CC[C@@H]1CCCC[C@H]1N(C)Cc1ncc(C)o1 ZINC000120902311 398201441 /nfs/dbraw/zinc/20/14/41/398201441.db2.gz UAEZNQLXERYPDT-CHWSQXEVSA-N 0 3 236.359 3.384 20 0 BGADHN CC[C@H]1CCCC[C@H]1N(C)Cc1ncc(C)o1 ZINC000120902468 398201275 /nfs/dbraw/zinc/20/12/75/398201275.db2.gz UAEZNQLXERYPDT-QWHCGFSZSA-N 0 3 236.359 3.384 20 0 BGADHN C[C@H](NCCCC1CCCC1)c1cnccn1 ZINC000120914212 176842276 /nfs/dbraw/zinc/84/22/76/176842276.db2.gz KEEYVWIDSZSYSM-LBPRGKRZSA-N 0 3 233.359 3.098 20 0 BGADHN C[C@@H](NCCCC1CCCC1)c1cnccn1 ZINC000120914365 384389041 /nfs/dbraw/zinc/38/90/41/384389041.db2.gz KEEYVWIDSZSYSM-GFCCVEGCSA-N 0 3 233.359 3.098 20 0 BGADHN Cc1cnc(CN[C@@H]2CCC(C)(C)C[C@@H]2C)o1 ZINC000120933734 387285394 /nfs/dbraw/zinc/28/53/94/387285394.db2.gz ZEOOXDFCSOVJDZ-CMPLNLGQSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1cnc(CN[C@H]2CCC(C)(C)C[C@@H]2C)o1 ZINC000120933866 387284716 /nfs/dbraw/zinc/28/47/16/387284716.db2.gz ZEOOXDFCSOVJDZ-JQWIXIFHSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1cnc(CN[C@@H]2CCC(C)(C)C[C@H]2C)o1 ZINC000120934043 387285887 /nfs/dbraw/zinc/28/58/87/387285887.db2.gz ZEOOXDFCSOVJDZ-ZYHUDNBSSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1cnc(CN[C@H]2CCC(C)(C)C[C@H]2C)o1 ZINC000120934200 387284167 /nfs/dbraw/zinc/28/41/67/387284167.db2.gz ZEOOXDFCSOVJDZ-PWSUYJOCSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1ccc(CN(C)CCc2cccs2)o1 ZINC000120936097 488060058 /nfs/dbraw/zinc/06/00/58/488060058.db2.gz COXUSERMRSUQNV-UHFFFAOYSA-N 0 3 235.352 3.324 20 0 BGADHN CCC[C@@H]1CCCN(Cc2cnc(C)s2)C1 ZINC000120936465 387285537 /nfs/dbraw/zinc/28/55/37/387285537.db2.gz FIZXDWYFEWWHAX-GFCCVEGCSA-N 0 3 238.400 3.464 20 0 BGADHN CCC[C@H]1CCCN(Cc2cnc(C)s2)C1 ZINC000120936606 387285073 /nfs/dbraw/zinc/28/50/73/387285073.db2.gz FIZXDWYFEWWHAX-LBPRGKRZSA-N 0 3 238.400 3.464 20 0 BGADHN CC[C@@H]1CN([C@@H](C)c2ccccc2C)CCO1 ZINC000120945029 171094779 /nfs/dbraw/zinc/09/47/79/171094779.db2.gz RXHPUZVQTUCTGB-UONOGXRCSA-N 0 3 233.355 3.167 20 0 BGADHN CC[C@H]1CN([C@@H](C)c2ccccc2C)CCO1 ZINC000120945157 387285160 /nfs/dbraw/zinc/28/51/60/387285160.db2.gz RXHPUZVQTUCTGB-KBPBESRZSA-N 0 3 233.355 3.167 20 0 BGADHN c1csc(CCN2CCc3sccc3C2)c1 ZINC000120946079 589479092 /nfs/dbraw/zinc/47/90/92/589479092.db2.gz FTKLSGLJEZCKIM-UHFFFAOYSA-N 0 3 249.404 3.410 20 0 BGADHN Cc1cnc([C@H](NC2CCCC2)C2CC2)s1 ZINC000120952674 541306525 /nfs/dbraw/zinc/30/65/25/541306525.db2.gz BXMAAFUUKWGLQN-GFCCVEGCSA-N 0 3 236.384 3.435 20 0 BGADHN Cc1cnc([C@@H](NC2CCCC2)C2CC2)s1 ZINC000120952818 491101371 /nfs/dbraw/zinc/10/13/71/491101371.db2.gz BXMAAFUUKWGLQN-LBPRGKRZSA-N 0 3 236.384 3.435 20 0 BGADHN CCO[C@@H]1C[C@H](N(C)C/C=C/Cl)C12CCC2 ZINC000120967028 589482666 /nfs/dbraw/zinc/48/26/66/589482666.db2.gz BGUSOVQDDMFQSE-JZUADKBYSA-N 0 3 243.778 3.018 20 0 BGADHN CCO[C@@H]1C[C@@H](N(C)C/C=C/Cl)C12CCC2 ZINC000120967341 589482646 /nfs/dbraw/zinc/48/26/46/589482646.db2.gz BGUSOVQDDMFQSE-ZOUVEMKTSA-N 0 3 243.778 3.018 20 0 BGADHN c1coc(CN(C[C@@H]2CCCO2)C2CCCC2)c1 ZINC000120974389 384392918 /nfs/dbraw/zinc/39/29/18/384392918.db2.gz YWYQMQYUHTZCKC-HNNXBMFYSA-N 0 3 249.354 3.203 20 0 BGADHN c1coc(CN(C[C@H]2CCCO2)C2CCCC2)c1 ZINC000120974557 384393151 /nfs/dbraw/zinc/39/31/51/384393151.db2.gz YWYQMQYUHTZCKC-OAHLLOKOSA-N 0 3 249.354 3.203 20 0 BGADHN Cc1occc1CN(C)CCc1cccs1 ZINC000120980322 387287769 /nfs/dbraw/zinc/28/77/69/387287769.db2.gz DPDRXCNHXACDOJ-UHFFFAOYSA-N 0 3 235.352 3.324 20 0 BGADHN CC[C@@H](C)N[C@@H](c1ncc(C)s1)C1CC1 ZINC000120982515 491068481 /nfs/dbraw/zinc/06/84/81/491068481.db2.gz FCXMLGQWNYRFLX-LDYMZIIASA-N 0 3 224.373 3.291 20 0 BGADHN CC[C@H](C)N[C@@H](c1ncc(C)s1)C1CC1 ZINC000120982693 171345858 /nfs/dbraw/zinc/34/58/58/171345858.db2.gz FCXMLGQWNYRFLX-GZMMTYOYSA-N 0 3 224.373 3.291 20 0 BGADHN CC[C@@H](C)N[C@H](c1ncc(C)s1)C1CC1 ZINC000120982818 491068496 /nfs/dbraw/zinc/06/84/96/491068496.db2.gz FCXMLGQWNYRFLX-KCJUWKMLSA-N 0 3 224.373 3.291 20 0 BGADHN CC[C@H](C)N[C@H](c1ncc(C)s1)C1CC1 ZINC000120982963 171349075 /nfs/dbraw/zinc/34/90/75/171349075.db2.gz FCXMLGQWNYRFLX-KWQFWETISA-N 0 3 224.373 3.291 20 0 BGADHN CCC[C@@H]1CCCN(Cc2cc(OC)ccn2)C1 ZINC000120999163 387287657 /nfs/dbraw/zinc/28/76/57/387287657.db2.gz ZQHJDEGLPYROPB-CYBMUJFWSA-N 0 3 248.370 3.102 20 0 BGADHN CCC[C@H]1CCCN(Cc2cc(OC)ccn2)C1 ZINC000120999317 387286505 /nfs/dbraw/zinc/28/65/05/387286505.db2.gz ZQHJDEGLPYROPB-ZDUSSCGKSA-N 0 3 248.370 3.102 20 0 BGADHN CCC[C@@H]1CCCN(Cc2c(C)noc2C)C1 ZINC000121001531 384392374 /nfs/dbraw/zinc/39/23/74/384392374.db2.gz COHPRGXSDCSQAA-CYBMUJFWSA-N 0 3 236.359 3.304 20 0 BGADHN CCC[C@H]1CCCN(Cc2c(C)noc2C)C1 ZINC000121001680 398002276 /nfs/dbraw/zinc/00/22/76/398002276.db2.gz COHPRGXSDCSQAA-ZDUSSCGKSA-N 0 3 236.359 3.304 20 0 BGADHN CCC[C@@H]1CCCN(Cc2ccccn2)C1 ZINC000121019528 398337569 /nfs/dbraw/zinc/33/75/69/398337569.db2.gz HLBJBPHPECSGMG-CYBMUJFWSA-N 0 3 218.344 3.094 20 0 BGADHN CCC[C@H]1CCCN(Cc2ccccn2)C1 ZINC000121019710 398337500 /nfs/dbraw/zinc/33/75/00/398337500.db2.gz HLBJBPHPECSGMG-ZDUSSCGKSA-N 0 3 218.344 3.094 20 0 BGADHN CCCCOC(=O)CCN[C@@H](C)c1ccccc1 ZINC000121024146 589487302 /nfs/dbraw/zinc/48/73/02/589487302.db2.gz HLAVNCAOSLLWBX-ZDUSSCGKSA-N 0 3 249.354 3.071 20 0 BGADHN CCCCOC(=O)CCN[C@H](C)c1ccccc1 ZINC000121024314 589487212 /nfs/dbraw/zinc/48/72/12/589487212.db2.gz HLAVNCAOSLLWBX-CYBMUJFWSA-N 0 3 249.354 3.071 20 0 BGADHN C[C@H](NCc1ccc(F)cc1F)C1CCC1 ZINC000121071706 490074419 /nfs/dbraw/zinc/07/44/19/490074419.db2.gz CAOHGUVUYRZOGK-VIFPVBQESA-N 0 3 225.282 3.243 20 0 BGADHN C[C@@H](NCc1ccc(F)cc1F)C1CCC1 ZINC000121071827 490074514 /nfs/dbraw/zinc/07/45/14/490074514.db2.gz CAOHGUVUYRZOGK-SECBINFHSA-N 0 3 225.282 3.243 20 0 BGADHN COCc1ccc(CN2CCCC(C)(C)C2)o1 ZINC000121126634 384398967 /nfs/dbraw/zinc/39/89/67/384398967.db2.gz QCQKSQOFNVQLEW-UHFFFAOYSA-N 0 3 237.343 3.048 20 0 BGADHN Cc1ccc(CN2CCCC(C)(C)C2)o1 ZINC000121131920 387300523 /nfs/dbraw/zinc/30/05/23/387300523.db2.gz GSKIRMWSGYIAIX-UHFFFAOYSA-N 0 3 207.317 3.210 20 0 BGADHN CCn1nc(C)c(CN2CCCC(C)(C)C2)c1C ZINC000121133973 172245214 /nfs/dbraw/zinc/24/52/14/172245214.db2.gz OJADAQHIDRMJBW-UHFFFAOYSA-N 0 3 249.402 3.142 20 0 BGADHN CSC(C)(C)CNCc1cc(C)oc1C ZINC000121138027 589503485 /nfs/dbraw/zinc/50/34/85/589503485.db2.gz OZQQRBMLQDMVKH-UHFFFAOYSA-N 0 3 227.373 3.128 20 0 BGADHN CC(C)(C)c1n[nH]cc1CN1CCCC(C)(C)C1 ZINC000121142567 324002328 /nfs/dbraw/zinc/00/23/28/324002328.db2.gz DDBMDKQVGYOQIG-UHFFFAOYSA-N 0 3 249.402 3.329 20 0 BGADHN Cc1ccoc1CN1CCCC(C)(C)C1 ZINC000121143695 487822234 /nfs/dbraw/zinc/82/22/34/487822234.db2.gz OZJCQVPCZZVGBX-UHFFFAOYSA-N 0 3 207.317 3.210 20 0 BGADHN Cc1ncccc1CN1CCCC(C)(C)C1 ZINC000121147940 180219126 /nfs/dbraw/zinc/21/91/26/180219126.db2.gz RZESMKXLDKRDMG-UHFFFAOYSA-N 0 3 218.344 3.012 20 0 BGADHN Cc1ncsc1CN1CCCC(C)(C)C1 ZINC000121148290 180315230 /nfs/dbraw/zinc/31/52/30/180315230.db2.gz IUQIUJJCOPMRLN-UHFFFAOYSA-N 0 3 224.373 3.074 20 0 BGADHN CC1(C)CCCN(Cc2ccsc2)C1 ZINC000121151070 387304995 /nfs/dbraw/zinc/30/49/95/387304995.db2.gz ZSYURUQRAFYUOU-UHFFFAOYSA-N 0 3 209.358 3.370 20 0 BGADHN CO[C@@H](CNCc1cc(C)oc1C)C(C)(C)C ZINC000121151366 589504586 /nfs/dbraw/zinc/50/45/86/589504586.db2.gz OSOAFWADMPLFRI-ZDUSSCGKSA-N 0 3 239.359 3.047 20 0 BGADHN CO[C@H](CNCc1cc(C)oc1C)C(C)(C)C ZINC000121151504 589504612 /nfs/dbraw/zinc/50/46/12/589504612.db2.gz OSOAFWADMPLFRI-CYBMUJFWSA-N 0 3 239.359 3.047 20 0 BGADHN CC(C)(C)n1cc(CN2CCCC(C)(C)C2)cn1 ZINC000121152244 397957049 /nfs/dbraw/zinc/95/70/49/397957049.db2.gz YOKBZFMUUYNJFX-UHFFFAOYSA-N 0 3 249.402 3.260 20 0 BGADHN CC[C@@H](C)CNC(C)(C)c1nccs1 ZINC000121190649 385650471 /nfs/dbraw/zinc/65/04/71/385650471.db2.gz OLPTWZDJONOZRP-SECBINFHSA-N 0 3 212.362 3.014 20 0 BGADHN CC[C@H](C)CNC(C)(C)c1nccs1 ZINC000121190809 171284114 /nfs/dbraw/zinc/28/41/14/171284114.db2.gz OLPTWZDJONOZRP-VIFPVBQESA-N 0 3 212.362 3.014 20 0 BGADHN CC[C@@H](C)CNC(C)(C)c1nc(C)cs1 ZINC000121192170 411185725 /nfs/dbraw/zinc/18/57/25/411185725.db2.gz JSQJCOGOGRNAOA-SECBINFHSA-N 0 3 226.389 3.322 20 0 BGADHN CC[C@H](C)CNC(C)(C)c1nc(C)cs1 ZINC000121192299 171284296 /nfs/dbraw/zinc/28/42/96/171284296.db2.gz JSQJCOGOGRNAOA-VIFPVBQESA-N 0 3 226.389 3.322 20 0 BGADHN CCC(CC)c1cc(CN[C@H](C)CC)on1 ZINC000121197942 387307228 /nfs/dbraw/zinc/30/72/28/387307228.db2.gz SSKLPBFBUBHODR-SNVBAGLBSA-N 0 3 224.348 3.466 20 0 BGADHN CCC(CC)c1cc(CN[C@@H](C)CC)on1 ZINC000121198106 387307156 /nfs/dbraw/zinc/30/71/56/387307156.db2.gz SSKLPBFBUBHODR-JTQLQIEISA-N 0 3 224.348 3.466 20 0 BGADHN CN(Cc1cc2ccccc2o1)[C@@H]1CCSC1 ZINC000121222588 384403656 /nfs/dbraw/zinc/40/36/56/384403656.db2.gz XMCSSWITCVGLPN-GFCCVEGCSA-N 0 3 247.363 3.370 20 0 BGADHN CN(Cc1cc2ccccc2o1)[C@H]1CCSC1 ZINC000121222754 384403821 /nfs/dbraw/zinc/40/38/21/384403821.db2.gz XMCSSWITCVGLPN-LBPRGKRZSA-N 0 3 247.363 3.370 20 0 BGADHN Cc1oc2ccccc2c1CNC[C@@H]1CCCO1 ZINC000121234135 384402670 /nfs/dbraw/zinc/40/26/70/384402670.db2.gz JGKGAVHGBSNSFY-LBPRGKRZSA-N 0 3 245.322 3.010 20 0 BGADHN Cc1oc2ccccc2c1CNC[C@H]1CCCO1 ZINC000121234309 384404730 /nfs/dbraw/zinc/40/47/30/384404730.db2.gz JGKGAVHGBSNSFY-GFCCVEGCSA-N 0 3 245.322 3.010 20 0 BGADHN CSCCNCc1c(C)oc2ccccc21 ZINC000121285386 356505295 /nfs/dbraw/zinc/50/52/95/356505295.db2.gz OOUHMDODSAKFBY-UHFFFAOYSA-N 0 3 235.352 3.194 20 0 BGADHN CC[C@@H](COC)NCc1c(C)oc2ccccc21 ZINC000121286352 384410556 /nfs/dbraw/zinc/41/05/56/384410556.db2.gz ILNXKBMDZLCLTI-LBPRGKRZSA-N 0 3 247.338 3.256 20 0 BGADHN CC[C@H](COC)NCc1c(C)oc2ccccc21 ZINC000121286535 387322102 /nfs/dbraw/zinc/32/21/02/387322102.db2.gz ILNXKBMDZLCLTI-GFCCVEGCSA-N 0 3 247.338 3.256 20 0 BGADHN CC[C@@]1(C)C[C@@H]1C(=O)Nc1ccccc1COC ZINC000121310540 171207030 /nfs/dbraw/zinc/20/70/30/171207030.db2.gz VGYFUNHKQGZPJP-DOMZBBRYSA-N 0 3 247.338 3.208 20 0 BGADHN CC(C)N(Cc1cc(F)cc(F)c1)C1CC1 ZINC000121321955 188075193 /nfs/dbraw/zinc/07/51/93/188075193.db2.gz HPRZRGGTNGBONS-UHFFFAOYSA-N 0 3 225.282 3.338 20 0 BGADHN Cc1ccn2c(CN(C(C)C)C3CC3)cnc2c1 ZINC000121337705 387342051 /nfs/dbraw/zinc/34/20/51/387342051.db2.gz WZUCTTAVBHCHMO-UHFFFAOYSA-N 0 3 243.354 3.016 20 0 BGADHN CC(C)N(CC1=Cc2ccccc2OC1)C1CC1 ZINC000121344947 188329297 /nfs/dbraw/zinc/32/92/97/188329297.db2.gz QGCPATZUDQYODP-UHFFFAOYSA-N 0 3 243.350 3.335 20 0 BGADHN Cc1occc1CN(C)CCc1ccccc1F ZINC000121345238 387342093 /nfs/dbraw/zinc/34/20/93/387342093.db2.gz ALWAERDKGOUFQD-UHFFFAOYSA-N 0 3 247.313 3.402 20 0 BGADHN Cc1cccn2c(CN(C(C)C)C3CC3)cnc12 ZINC000121347941 179354057 /nfs/dbraw/zinc/35/40/57/179354057.db2.gz CBROTDHGXUSRLB-UHFFFAOYSA-N 0 3 243.354 3.016 20 0 BGADHN Cc1cc(CN(C(C)C)C2CC2)c(C)o1 ZINC000121349080 585078209 /nfs/dbraw/zinc/07/82/09/585078209.db2.gz POZLAMAWOJUJAB-UHFFFAOYSA-N 0 3 207.317 3.269 20 0 BGADHN CC(C)N(Cc1cnc(C2CC2)s1)C1CC1 ZINC000121352896 344921766 /nfs/dbraw/zinc/92/17/66/344921766.db2.gz AYTDRZOAHFZTBK-UHFFFAOYSA-N 0 3 236.384 3.393 20 0 BGADHN CC[C@@H]1c2ccsc2CCN1CCCF ZINC000121382258 171162649 /nfs/dbraw/zinc/16/26/49/171162649.db2.gz RBXIICYBZBVDOV-LLVKDONJSA-N 0 3 227.348 3.417 20 0 BGADHN CC[C@H]1c2ccsc2CCN1CCCF ZINC000121382370 384414840 /nfs/dbraw/zinc/41/48/40/384414840.db2.gz RBXIICYBZBVDOV-NSHDSACASA-N 0 3 227.348 3.417 20 0 BGADHN Cc1ccccc1[C@@H](C)N1CCSCC1 ZINC000121401910 179318398 /nfs/dbraw/zinc/31/83/98/179318398.db2.gz VICYDIINTYQOKN-GFCCVEGCSA-N 0 3 221.369 3.105 20 0 BGADHN Cc1ccccc1[C@H](C)N1CCSCC1 ZINC000121402061 179336440 /nfs/dbraw/zinc/33/64/40/179336440.db2.gz VICYDIINTYQOKN-LBPRGKRZSA-N 0 3 221.369 3.105 20 0 BGADHN C[C@@H](c1cccs1)N(C)CCCF ZINC000121438175 176033259 /nfs/dbraw/zinc/03/32/59/176033259.db2.gz FOACJKURCPLNRZ-VIFPVBQESA-N 0 3 201.310 3.101 20 0 BGADHN C[C@H](c1cccs1)N(C)CCCF ZINC000121438333 177049407 /nfs/dbraw/zinc/04/94/07/177049407.db2.gz FOACJKURCPLNRZ-SECBINFHSA-N 0 3 201.310 3.101 20 0 BGADHN C[C@@H](c1ccccc1F)N(C)CCCF ZINC000121482095 176024705 /nfs/dbraw/zinc/02/47/05/176024705.db2.gz IRKZUNZZNPLEPF-JTQLQIEISA-N 0 3 213.271 3.178 20 0 BGADHN C[C@H](c1ccccc1F)N(C)CCCF ZINC000121482203 177041634 /nfs/dbraw/zinc/04/16/34/177041634.db2.gz IRKZUNZZNPLEPF-SNVBAGLBSA-N 0 3 213.271 3.178 20 0 BGADHN CSC[C@H](C)NCc1coc2ccccc12 ZINC000121496116 487864919 /nfs/dbraw/zinc/86/49/19/487864919.db2.gz SMSVNGSAAMJYFF-JTQLQIEISA-N 0 3 235.352 3.274 20 0 BGADHN CSC[C@@H](C)NCc1coc2ccccc12 ZINC000121496288 487864979 /nfs/dbraw/zinc/86/49/79/487864979.db2.gz SMSVNGSAAMJYFF-SNVBAGLBSA-N 0 3 235.352 3.274 20 0 BGADHN c1ccc(OCC2CC2)c(CN2CCCC2)c1 ZINC000121502027 324014730 /nfs/dbraw/zinc/01/47/30/324014730.db2.gz XGDUMDIBVTVNCQ-UHFFFAOYSA-N 0 3 231.339 3.071 20 0 BGADHN FCCCN(Cc1cccc(F)c1)C1CC1 ZINC000121513586 180928889 /nfs/dbraw/zinc/92/88/89/180928889.db2.gz LNSDJUFSMFOZRG-UHFFFAOYSA-N 0 3 225.282 3.150 20 0 BGADHN COc1ccccc1CN(CCCF)C1CC1 ZINC000121518340 175326206 /nfs/dbraw/zinc/32/62/06/175326206.db2.gz MLGUDXKZHDXBHH-UHFFFAOYSA-N 0 3 237.318 3.019 20 0 BGADHN COc1ccc([C@H](C)NCC=C(C)C)cc1F ZINC000121548786 175188785 /nfs/dbraw/zinc/18/87/85/175188785.db2.gz JNSOVELCYLKQJO-NSHDSACASA-N 0 3 237.318 3.451 20 0 BGADHN Cc1ccc(N[C@@H]2C[C@H](C)N(C3CC3)C2)c(F)c1 ZINC000121594022 324017455 /nfs/dbraw/zinc/01/74/55/324017455.db2.gz LWQDYPQWZBHNSG-NWDGAFQWSA-N 0 3 248.345 3.171 20 0 BGADHN Cc1ccc(N[C@H]2C[C@H](C)N(C3CC3)C2)c(F)c1 ZINC000121594194 324016963 /nfs/dbraw/zinc/01/69/63/324016963.db2.gz LWQDYPQWZBHNSG-RYUDHWBXSA-N 0 3 248.345 3.171 20 0 BGADHN Cc1ccc(N[C@@H]2C[C@@H](C)N(C3CC3)C2)c(F)c1 ZINC000121594352 324017491 /nfs/dbraw/zinc/01/74/91/324017491.db2.gz LWQDYPQWZBHNSG-VXGBXAGGSA-N 0 3 248.345 3.171 20 0 BGADHN Cc1ccc(N[C@H]2C[C@@H](C)N(C3CC3)C2)c(F)c1 ZINC000121594489 324017350 /nfs/dbraw/zinc/01/73/50/324017350.db2.gz LWQDYPQWZBHNSG-NEPJUHHUSA-N 0 3 248.345 3.171 20 0 BGADHN Cc1ccc(F)c(N[C@@H]2C[C@H](C)N(C3CC3)C2)c1 ZINC000121594818 324016918 /nfs/dbraw/zinc/01/69/18/324016918.db2.gz PFKCFFWHJLEGAV-NWDGAFQWSA-N 0 3 248.345 3.171 20 0 BGADHN Cc1ccc(F)c(N[C@H]2C[C@H](C)N(C3CC3)C2)c1 ZINC000121594991 324017582 /nfs/dbraw/zinc/01/75/82/324017582.db2.gz PFKCFFWHJLEGAV-RYUDHWBXSA-N 0 3 248.345 3.171 20 0 BGADHN Cc1ccc(F)c(N[C@@H]2C[C@@H](C)N(C3CC3)C2)c1 ZINC000121595136 324017527 /nfs/dbraw/zinc/01/75/27/324017527.db2.gz PFKCFFWHJLEGAV-VXGBXAGGSA-N 0 3 248.345 3.171 20 0 BGADHN Cc1ccc(F)c(N[C@H]2C[C@@H](C)N(C3CC3)C2)c1 ZINC000121595311 324016837 /nfs/dbraw/zinc/01/68/37/324016837.db2.gz PFKCFFWHJLEGAV-NEPJUHHUSA-N 0 3 248.345 3.171 20 0 BGADHN CC[C@@H](C)CN[C@@](C)(CC)c1nccs1 ZINC000121691386 490216456 /nfs/dbraw/zinc/21/64/56/490216456.db2.gz DJGGELJXPUHZJU-PWSUYJOCSA-N 0 3 226.389 3.404 20 0 BGADHN CC[C@H](C)CN[C@@](C)(CC)c1nccs1 ZINC000121691543 171287301 /nfs/dbraw/zinc/28/73/01/171287301.db2.gz DJGGELJXPUHZJU-JQWIXIFHSA-N 0 3 226.389 3.404 20 0 BGADHN CC[C@@H](C)CN[C@](C)(CC)c1nccs1 ZINC000121691699 490216532 /nfs/dbraw/zinc/21/65/32/490216532.db2.gz DJGGELJXPUHZJU-ZYHUDNBSSA-N 0 3 226.389 3.404 20 0 BGADHN CC[C@H](C)CN[C@](C)(CC)c1nccs1 ZINC000121691840 171287816 /nfs/dbraw/zinc/28/78/16/171287816.db2.gz DJGGELJXPUHZJU-CMPLNLGQSA-N 0 3 226.389 3.404 20 0 BGADHN CC[C@@]1(C)C[C@@H]1C(=O)NCc1ccc(C)s1 ZINC000121700812 171207313 /nfs/dbraw/zinc/20/73/13/171207313.db2.gz KCPOTMKFHKRDKJ-YPMHNXCESA-N 0 3 237.368 3.109 20 0 BGADHN CCCCN1CCO[C@@](C)(c2ccccc2)C1 ZINC000121713586 324020831 /nfs/dbraw/zinc/02/08/31/324020831.db2.gz HIZZOMXICVSASM-OAHLLOKOSA-N 0 3 233.355 3.034 20 0 BGADHN CCCCN1CCO[C@](C)(c2ccccc2)C1 ZINC000121713761 324020669 /nfs/dbraw/zinc/02/06/69/324020669.db2.gz HIZZOMXICVSASM-HNNXBMFYSA-N 0 3 233.355 3.034 20 0 BGADHN Cc1cc(CNC[C@]2(C)CCCS2)c(C)o1 ZINC000121739541 589529053 /nfs/dbraw/zinc/52/90/53/589529053.db2.gz CPHDPDDSIKTOOM-ZDUSSCGKSA-N 0 3 239.384 3.272 20 0 BGADHN Cc1cc(CNC[C@@]2(C)CCCS2)c(C)o1 ZINC000121739692 589529108 /nfs/dbraw/zinc/52/91/08/589529108.db2.gz CPHDPDDSIKTOOM-CYBMUJFWSA-N 0 3 239.384 3.272 20 0 BGADHN C[C@]1(c2ccccc2)CN(CC2CCC2)CCO1 ZINC000121760278 324021123 /nfs/dbraw/zinc/02/11/23/324021123.db2.gz BJDADCYFNFEJLY-MRXNPFEDSA-N 0 3 245.366 3.034 20 0 BGADHN C[C@@]1(c2ccccc2)CN(CC2CCC2)CCO1 ZINC000121760411 324020973 /nfs/dbraw/zinc/02/09/73/324020973.db2.gz BJDADCYFNFEJLY-INIZCTEOSA-N 0 3 245.366 3.034 20 0 BGADHN CC[C@@H]1CCCCN1Cc1ccc(C)nc1 ZINC000121769610 357151084 /nfs/dbraw/zinc/15/10/84/357151084.db2.gz FQZHWDWZBCMNKH-CQSZACIVSA-N 0 3 218.344 3.155 20 0 BGADHN CC[C@H]1CCCCN1Cc1ccc(C)nc1 ZINC000121769757 387406349 /nfs/dbraw/zinc/40/63/49/387406349.db2.gz FQZHWDWZBCMNKH-AWEZNQCLSA-N 0 3 218.344 3.155 20 0 BGADHN CCN(Cc1ccccc1)Cc1ccc(C)nc1 ZINC000121791990 357150765 /nfs/dbraw/zinc/15/07/65/357150765.db2.gz CAHGEMDQNCXGMG-UHFFFAOYSA-N 0 3 240.350 3.412 20 0 BGADHN CCc1nc(C)c([C@@H](C)N(C)CC)s1 ZINC000121958520 344944788 /nfs/dbraw/zinc/94/47/88/344944788.db2.gz SMBCOMBAKWWLOQ-SECBINFHSA-N 0 3 212.362 3.027 20 0 BGADHN CCc1nc(C)c([C@H](C)N(C)CC)s1 ZINC000121958702 344944680 /nfs/dbraw/zinc/94/46/80/344944680.db2.gz SMBCOMBAKWWLOQ-VIFPVBQESA-N 0 3 212.362 3.027 20 0 BGADHN C[C@@H]1CC[C@H](NCc2ccc(Cl)o2)C1 ZINC000121961105 176233531 /nfs/dbraw/zinc/23/35/31/176233531.db2.gz HOZIITYOLHAKGF-BDAKNGLRSA-N 0 3 213.708 3.211 20 0 BGADHN C[C@H]1CC[C@H](NCc2ccc(Cl)o2)C1 ZINC000121961279 177205316 /nfs/dbraw/zinc/20/53/16/177205316.db2.gz HOZIITYOLHAKGF-IUCAKERBSA-N 0 3 213.708 3.211 20 0 BGADHN C[C@@H]1CC[C@@H](NCc2ccc(Cl)o2)C1 ZINC000121961484 176212892 /nfs/dbraw/zinc/21/28/92/176212892.db2.gz HOZIITYOLHAKGF-RKDXNWHRSA-N 0 3 213.708 3.211 20 0 BGADHN C[C@H]1CC[C@@H](NCc2ccc(Cl)o2)C1 ZINC000121961640 177193072 /nfs/dbraw/zinc/19/30/72/177193072.db2.gz HOZIITYOLHAKGF-DTWKUNHWSA-N 0 3 213.708 3.211 20 0 BGADHN COc1ccc(OC)c([C@H](C)NC2CC=CC2)c1 ZINC000121991123 490117996 /nfs/dbraw/zinc/11/79/96/490117996.db2.gz JBKIZKODHZPDSD-NSHDSACASA-N 0 3 247.338 3.073 20 0 BGADHN COc1ccc(OC)c([C@@H](C)NC2CC=CC2)c1 ZINC000121991279 490117790 /nfs/dbraw/zinc/11/77/90/490117790.db2.gz JBKIZKODHZPDSD-LLVKDONJSA-N 0 3 247.338 3.073 20 0 BGADHN COc1ccc([C@H](C)NC2CC=CC2)c(F)c1 ZINC000121991858 490117534 /nfs/dbraw/zinc/11/75/34/490117534.db2.gz AWOHKBDNXHBPFJ-JTQLQIEISA-N 0 3 235.302 3.204 20 0 BGADHN COc1ccc([C@@H](C)NC2CC=CC2)c(F)c1 ZINC000121992013 490117586 /nfs/dbraw/zinc/11/75/86/490117586.db2.gz AWOHKBDNXHBPFJ-SNVBAGLBSA-N 0 3 235.302 3.204 20 0 BGADHN c1c2ccccc2oc1CNC[C@@H]1CCCS1 ZINC000122009476 360174754 /nfs/dbraw/zinc/17/47/54/360174754.db2.gz OUXZAXQHCLDSQZ-ZDUSSCGKSA-N 0 3 247.363 3.418 20 0 BGADHN c1c2ccccc2oc1CNC[C@H]1CCCS1 ZINC000122009691 360175033 /nfs/dbraw/zinc/17/50/33/360175033.db2.gz OUXZAXQHCLDSQZ-CYBMUJFWSA-N 0 3 247.363 3.418 20 0 BGADHN C[C@H]1C[C@H](NC2CC2)c2ccsc2S1 ZINC000122029158 177369452 /nfs/dbraw/zinc/36/94/52/177369452.db2.gz UFNXHWZBHHPADI-XVKPBYJWSA-N 0 3 225.382 3.426 20 0 BGADHN C[C@H]1C[C@@H](NC2CC2)c2ccsc2S1 ZINC000122029439 177330735 /nfs/dbraw/zinc/33/07/35/177330735.db2.gz UFNXHWZBHHPADI-OIBJUYFYSA-N 0 3 225.382 3.426 20 0 BGADHN C[C@H](NC1CC=CC1)c1cccnc1Cl ZINC000122030579 589550396 /nfs/dbraw/zinc/55/03/96/589550396.db2.gz BTOOXEHLDIERLV-VIFPVBQESA-N 0 3 222.719 3.104 20 0 BGADHN C[C@@H](NC1CC=CC1)c1cccnc1Cl ZINC000122030756 589550547 /nfs/dbraw/zinc/55/05/47/589550547.db2.gz BTOOXEHLDIERLV-SECBINFHSA-N 0 3 222.719 3.104 20 0 BGADHN COc1ccccc1[C@H](C)NC1CC=CC1 ZINC000122035255 490119273 /nfs/dbraw/zinc/11/92/73/490119273.db2.gz HLCNMYNVIBSBRQ-NSHDSACASA-N 0 3 217.312 3.064 20 0 BGADHN COc1ccccc1[C@@H](C)NC1CC=CC1 ZINC000122035512 490119302 /nfs/dbraw/zinc/11/93/02/490119302.db2.gz HLCNMYNVIBSBRQ-LLVKDONJSA-N 0 3 217.312 3.064 20 0 BGADHN Cc1nc(CN[C@@H]2CC[C@H](C)C2)sc1C ZINC000122042224 385885433 /nfs/dbraw/zinc/88/54/33/385885433.db2.gz ARODOLSRSZJSDS-GZMMTYOYSA-N 0 3 224.373 3.038 20 0 BGADHN Cc1nc(CN[C@H]2CC[C@H](C)C2)sc1C ZINC000122042471 385884035 /nfs/dbraw/zinc/88/40/35/385884035.db2.gz ARODOLSRSZJSDS-KWQFWETISA-N 0 3 224.373 3.038 20 0 BGADHN Cc1nc(CN[C@@H]2CC[C@@H](C)C2)sc1C ZINC000122042692 386735495 /nfs/dbraw/zinc/73/54/95/386735495.db2.gz ARODOLSRSZJSDS-LDYMZIIASA-N 0 3 224.373 3.038 20 0 BGADHN COc1ccc(C)cc1[C@@H](C)NC1CC=CC1 ZINC000122042871 490121333 /nfs/dbraw/zinc/12/13/33/490121333.db2.gz XKJCXIHWFHUQHC-GFCCVEGCSA-N 0 3 231.339 3.373 20 0 BGADHN Cc1nc(CN[C@H]2CC[C@@H](C)C2)sc1C ZINC000122042917 386734471 /nfs/dbraw/zinc/73/44/71/386734471.db2.gz ARODOLSRSZJSDS-KCJUWKMLSA-N 0 3 224.373 3.038 20 0 BGADHN COc1ccc(C)cc1[C@H](C)NC1CC=CC1 ZINC000122043114 490121082 /nfs/dbraw/zinc/12/10/82/490121082.db2.gz XKJCXIHWFHUQHC-LBPRGKRZSA-N 0 3 231.339 3.373 20 0 BGADHN C[C@H](NC1CC=CC1)c1cc(F)c(F)c(F)c1 ZINC000122044481 490121188 /nfs/dbraw/zinc/12/11/88/490121188.db2.gz FGDSUYFYXQIOFQ-QMMMGPOBSA-N 0 3 241.256 3.473 20 0 BGADHN C[C@@H](NC1CC=CC1)c1cc(F)c(F)c(F)c1 ZINC000122044717 490121143 /nfs/dbraw/zinc/12/11/43/490121143.db2.gz FGDSUYFYXQIOFQ-MRVPVSSYSA-N 0 3 241.256 3.473 20 0 BGADHN CC[C@@]1(C)C[C@H]1C(=O)N(C)CCc1ccccc1 ZINC000122048402 171207095 /nfs/dbraw/zinc/20/70/95/171207095.db2.gz QMRSVVMPIPWOCF-HOCLYGCPSA-N 0 3 245.366 3.124 20 0 BGADHN CCN[C@H]1C[C@H](C)Sc2sccc21 ZINC000122050095 170169863 /nfs/dbraw/zinc/16/98/63/170169863.db2.gz VXTCDJNESQCASR-CBAPKCEASA-N 0 3 213.371 3.283 20 0 BGADHN CCn1nccc1CN(C)C1CCCCCC1 ZINC000122063551 172263016 /nfs/dbraw/zinc/26/30/16/172263016.db2.gz FAEGJFQNOUQBAW-UHFFFAOYSA-N 0 3 235.375 3.058 20 0 BGADHN CCCn1cc(CN(C)C2CCCCCC2)cn1 ZINC000122063793 387463136 /nfs/dbraw/zinc/46/31/36/387463136.db2.gz HCPYHNPPGYNAFI-UHFFFAOYSA-N 0 3 249.402 3.448 20 0 BGADHN C(=C/c1ccccc1)\CNCc1ccoc1 ZINC000122096962 324028092 /nfs/dbraw/zinc/02/80/92/324028092.db2.gz JJCVVDBIHHBHKQ-QPJJXVBHSA-N 0 3 213.280 3.083 20 0 BGADHN COc1ccc([C@H](C)NC2CC=CC2)c(OC)c1 ZINC000122098195 490126071 /nfs/dbraw/zinc/12/60/71/490126071.db2.gz XJMMHSIMVLKNHR-NSHDSACASA-N 0 3 247.338 3.073 20 0 BGADHN COc1ccc([C@@H](C)NC2CC=CC2)c(OC)c1 ZINC000122098394 490125861 /nfs/dbraw/zinc/12/58/61/490125861.db2.gz XJMMHSIMVLKNHR-LLVKDONJSA-N 0 3 247.338 3.073 20 0 BGADHN CCOc1ccccc1[C@@H](C)NC1CC=CC1 ZINC000122105397 490125236 /nfs/dbraw/zinc/12/52/36/490125236.db2.gz VOUOVONZFDFXSQ-GFCCVEGCSA-N 0 3 231.339 3.455 20 0 BGADHN C[C@@H]1CC[C@H](NCc2c(F)cccc2F)C1 ZINC000122105587 589553872 /nfs/dbraw/zinc/55/38/72/589553872.db2.gz MXLIVULRMHDNLF-ZJUUUORDSA-N 0 3 225.282 3.243 20 0 BGADHN CCOc1ccccc1[C@H](C)NC1CC=CC1 ZINC000122105624 490125259 /nfs/dbraw/zinc/12/52/59/490125259.db2.gz VOUOVONZFDFXSQ-LBPRGKRZSA-N 0 3 231.339 3.455 20 0 BGADHN C[C@H]1CC[C@H](NCc2c(F)cccc2F)C1 ZINC000122105831 589554211 /nfs/dbraw/zinc/55/42/11/589554211.db2.gz MXLIVULRMHDNLF-UWVGGRQHSA-N 0 3 225.282 3.243 20 0 BGADHN C[C@@H]1CC[C@@H](NCc2c(F)cccc2F)C1 ZINC000122105974 589553880 /nfs/dbraw/zinc/55/38/80/589553880.db2.gz MXLIVULRMHDNLF-NXEZZACHSA-N 0 3 225.282 3.243 20 0 BGADHN C[C@H]1CC[C@@H](NCc2c(F)cccc2F)C1 ZINC000122106217 589554160 /nfs/dbraw/zinc/55/41/60/589554160.db2.gz MXLIVULRMHDNLF-VHSXEESVSA-N 0 3 225.282 3.243 20 0 BGADHN CCc1ccc([C@@H](C)NC2CC=CC2)o1 ZINC000122135682 490127209 /nfs/dbraw/zinc/12/72/09/490127209.db2.gz FPKGXDGUFFPKOI-SNVBAGLBSA-N 0 3 205.301 3.211 20 0 BGADHN CCc1ccc([C@H](C)NC2CC=CC2)o1 ZINC000122135904 490126924 /nfs/dbraw/zinc/12/69/24/490126924.db2.gz FPKGXDGUFFPKOI-JTQLQIEISA-N 0 3 205.301 3.211 20 0 BGADHN Cc1nc([C@H](C)N[C@@H]2CC[C@H](C)C2)cs1 ZINC000122143995 180051797 /nfs/dbraw/zinc/05/17/97/180051797.db2.gz CQWMDHBNWSBPKX-ATZCPNFKSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1nc([C@H](C)N[C@H]2CC[C@H](C)C2)cs1 ZINC000122144443 180051207 /nfs/dbraw/zinc/05/12/07/180051207.db2.gz CQWMDHBNWSBPKX-QXEWZRGKSA-N 0 3 224.373 3.291 20 0 BGADHN CCCN(C)[C@@H](C)c1sc(CC)nc1C ZINC000122149945 169087325 /nfs/dbraw/zinc/08/73/25/169087325.db2.gz RWXHMUIYQJNAJJ-JTQLQIEISA-N 0 3 226.389 3.417 20 0 BGADHN CCCN(C)[C@H](C)c1sc(CC)nc1C ZINC000122150131 169086823 /nfs/dbraw/zinc/08/68/23/169086823.db2.gz RWXHMUIYQJNAJJ-SNVBAGLBSA-N 0 3 226.389 3.417 20 0 BGADHN Cc1nc(CN[C@@H](C)CC2CCC2)sc1C ZINC000122150586 589557285 /nfs/dbraw/zinc/55/72/85/589557285.db2.gz CNGMZRNGNFYEJK-VIFPVBQESA-N 0 3 238.400 3.428 20 0 BGADHN Cc1nc(CN[C@H](C)CC2CCC2)sc1C ZINC000122150760 589557302 /nfs/dbraw/zinc/55/73/02/589557302.db2.gz CNGMZRNGNFYEJK-SECBINFHSA-N 0 3 238.400 3.428 20 0 BGADHN Cc1nc(CN[C@@H](C)C2(C)CC2)sc1C ZINC000122152447 589557910 /nfs/dbraw/zinc/55/79/10/589557910.db2.gz GPGDXOPJKCBKBA-JTQLQIEISA-N 0 3 224.373 3.038 20 0 BGADHN Cc1nc(CN[C@H](C)C2(C)CC2)sc1C ZINC000122152702 589558036 /nfs/dbraw/zinc/55/80/36/589558036.db2.gz GPGDXOPJKCBKBA-SNVBAGLBSA-N 0 3 224.373 3.038 20 0 BGADHN C[C@@H]1C[C@@H]1CNCc1ccc(F)cc1Cl ZINC000122153035 324032329 /nfs/dbraw/zinc/03/23/29/324032329.db2.gz PCUUXLWPWXIMKA-PSASIEDQSA-N 0 3 227.710 3.225 20 0 BGADHN C[C@H]1C[C@@H]1CNCc1ccc(F)cc1Cl ZINC000122153280 324032167 /nfs/dbraw/zinc/03/21/67/324032167.db2.gz PCUUXLWPWXIMKA-WCBMZHEXSA-N 0 3 227.710 3.225 20 0 BGADHN CC[C@H](NCc1nc(C)c(C)s1)C1CC1 ZINC000122153442 490126889 /nfs/dbraw/zinc/12/68/89/490126889.db2.gz UCZNXTBCAUIZHS-NSHDSACASA-N 0 3 224.373 3.038 20 0 BGADHN C[C@@H]1C[C@H]1CNCc1ccc(F)cc1Cl ZINC000122153484 324032242 /nfs/dbraw/zinc/03/22/42/324032242.db2.gz PCUUXLWPWXIMKA-SCZZXKLOSA-N 0 3 227.710 3.225 20 0 BGADHN C[C@H]1C[C@H]1CNCc1ccc(F)cc1Cl ZINC000122153638 323167335 /nfs/dbraw/zinc/16/73/35/323167335.db2.gz PCUUXLWPWXIMKA-WPRPVWTQSA-N 0 3 227.710 3.225 20 0 BGADHN CC[C@@H](NCc1nc(C)c(C)s1)C1CC1 ZINC000122153680 490126968 /nfs/dbraw/zinc/12/69/68/490126968.db2.gz UCZNXTBCAUIZHS-LLVKDONJSA-N 0 3 224.373 3.038 20 0 BGADHN Cc1nc(CN[C@H](C(C)C)C2CC2)sc1C ZINC000122153944 589557087 /nfs/dbraw/zinc/55/70/87/589557087.db2.gz WRPFMEPZTGEWSP-CYBMUJFWSA-N 0 3 238.400 3.284 20 0 BGADHN Cc1nc(CN[C@@H](C(C)C)C2CC2)sc1C ZINC000122154194 589557880 /nfs/dbraw/zinc/55/78/80/589557880.db2.gz WRPFMEPZTGEWSP-ZDUSSCGKSA-N 0 3 238.400 3.284 20 0 BGADHN CC[C@@H]1CCC[C@@H]1NCc1nc(C)c(C)s1 ZINC000122155936 187387942 /nfs/dbraw/zinc/38/79/42/187387942.db2.gz IWZNNJNERAARJO-NEPJUHHUSA-N 0 3 238.400 3.428 20 0 BGADHN CC[C@H]1CCC[C@@H]1NCc1nc(C)c(C)s1 ZINC000122156170 387488607 /nfs/dbraw/zinc/48/86/07/387488607.db2.gz IWZNNJNERAARJO-RYUDHWBXSA-N 0 3 238.400 3.428 20 0 BGADHN CC[C@@H]1CCC[C@H]1NCc1nc(C)c(C)s1 ZINC000122156388 171001757 /nfs/dbraw/zinc/00/17/57/171001757.db2.gz IWZNNJNERAARJO-VXGBXAGGSA-N 0 3 238.400 3.428 20 0 BGADHN CC[C@H]1CCC[C@H]1NCc1nc(C)c(C)s1 ZINC000122156608 187387838 /nfs/dbraw/zinc/38/78/38/187387838.db2.gz IWZNNJNERAARJO-NWDGAFQWSA-N 0 3 238.400 3.428 20 0 BGADHN CCOc1cccc(CN(CC(C)C)C2CC2)n1 ZINC000122161780 387487554 /nfs/dbraw/zinc/48/75/54/387487554.db2.gz HGXGZWRPCCXWCZ-UHFFFAOYSA-N 0 3 248.370 3.101 20 0 BGADHN C[C@H](NCCOC(C)(C)C)c1ccccc1F ZINC000122163231 343158919 /nfs/dbraw/zinc/15/89/19/343158919.db2.gz PCPOXXIIIJDBRF-NSHDSACASA-N 0 3 239.334 3.291 20 0 BGADHN C[C@@H](NCCOC(C)(C)C)c1ccccc1F ZINC000122163470 343159026 /nfs/dbraw/zinc/15/90/26/343159026.db2.gz PCPOXXIIIJDBRF-LLVKDONJSA-N 0 3 239.334 3.291 20 0 BGADHN C[C@H](NCCOC(C)(C)C)c1cccc(F)c1 ZINC000122163701 343158858 /nfs/dbraw/zinc/15/88/58/343158858.db2.gz BDKYYTKMHXIEHX-NSHDSACASA-N 0 3 239.334 3.291 20 0 BGADHN C[C@@H](NCCOC(C)(C)C)c1cccc(F)c1 ZINC000122163939 343158989 /nfs/dbraw/zinc/15/89/89/343158989.db2.gz BDKYYTKMHXIEHX-LLVKDONJSA-N 0 3 239.334 3.291 20 0 BGADHN CSC(C)(C)CN[C@@H](C)c1cncc(F)c1 ZINC000122165871 384463233 /nfs/dbraw/zinc/46/32/33/384463233.db2.gz XQMWWSOQPYDILF-VIFPVBQESA-N 0 3 242.363 3.013 20 0 BGADHN CSC(C)(C)CN[C@H](C)c1cncc(F)c1 ZINC000122166083 384462840 /nfs/dbraw/zinc/46/28/40/384462840.db2.gz XQMWWSOQPYDILF-SECBINFHSA-N 0 3 242.363 3.013 20 0 BGADHN Cc1ccc(CN(CCC(C)C)C2CC2)cn1 ZINC000122177320 490126842 /nfs/dbraw/zinc/12/68/42/490126842.db2.gz WJLPYVZVNGHPON-UHFFFAOYSA-N 0 3 232.371 3.401 20 0 BGADHN C[C@@H](c1ccc(F)cc1)N(C)Cc1ccn(C)c1 ZINC000122178081 176016248 /nfs/dbraw/zinc/01/62/48/176016248.db2.gz QYOJDGOQYNJLGW-LBPRGKRZSA-N 0 3 246.329 3.357 20 0 BGADHN C[C@H](c1ccc(F)cc1)N(C)Cc1ccn(C)c1 ZINC000122178269 177034638 /nfs/dbraw/zinc/03/46/38/177034638.db2.gz QYOJDGOQYNJLGW-GFCCVEGCSA-N 0 3 246.329 3.357 20 0 BGADHN CCCn1cc(CN([C@@H](C)C2CC2)C2CC2)cn1 ZINC000122192907 387487097 /nfs/dbraw/zinc/48/70/97/387487097.db2.gz QLDZJZLOCVNYNH-LBPRGKRZSA-N 0 3 247.386 3.056 20 0 BGADHN CCCn1cc(CN([C@H](C)C2CC2)C2CC2)cn1 ZINC000122193119 387487650 /nfs/dbraw/zinc/48/76/50/387487650.db2.gz QLDZJZLOCVNYNH-GFCCVEGCSA-N 0 3 247.386 3.056 20 0 BGADHN COC(C)(C)CN[C@@H](C)c1ccc(Cl)s1 ZINC000122206002 324034302 /nfs/dbraw/zinc/03/43/02/324034302.db2.gz WYISUKOEVBIQRN-QMMMGPOBSA-N 0 3 247.791 3.477 20 0 BGADHN COC(C)(C)CN[C@H](C)c1ccc(Cl)s1 ZINC000122206256 324034022 /nfs/dbraw/zinc/03/40/22/324034022.db2.gz WYISUKOEVBIQRN-MRVPVSSYSA-N 0 3 247.791 3.477 20 0 BGADHN CCCCN(CC)Cc1ccc(C)nc1 ZINC000122206749 387497687 /nfs/dbraw/zinc/49/76/87/387497687.db2.gz DJARNAHMXUELGM-UHFFFAOYSA-N 0 3 206.333 3.012 20 0 BGADHN CO[C@@H](CN[C@@H](C)c1ccsc1)C(C)(C)C ZINC000122216191 324030991 /nfs/dbraw/zinc/03/09/91/324030991.db2.gz LDUNTYSCKFNFRF-JQWIXIFHSA-N 0 3 241.400 3.460 20 0 BGADHN CO[C@@H](CN[C@H](C)c1ccsc1)C(C)(C)C ZINC000122216404 324030723 /nfs/dbraw/zinc/03/07/23/324030723.db2.gz LDUNTYSCKFNFRF-PWSUYJOCSA-N 0 3 241.400 3.460 20 0 BGADHN CO[C@H](CN[C@@H](C)c1ccsc1)C(C)(C)C ZINC000122216602 384466290 /nfs/dbraw/zinc/46/62/90/384466290.db2.gz LDUNTYSCKFNFRF-CMPLNLGQSA-N 0 3 241.400 3.460 20 0 BGADHN CO[C@H](CN[C@H](C)c1ccsc1)C(C)(C)C ZINC000122216811 324031028 /nfs/dbraw/zinc/03/10/28/324031028.db2.gz LDUNTYSCKFNFRF-ZYHUDNBSSA-N 0 3 241.400 3.460 20 0 BGADHN Cc1cc(CN[C@@H]2[C@@H]3CCCC[C@@H]3C2(C)C)on1 ZINC000122266971 633160680 /nfs/dbraw/zinc/16/06/80/633160680.db2.gz DDGSLPBOPBSUOJ-HZSPNIEDSA-N 0 3 248.370 3.287 20 0 BGADHN Cc1cc(CN[C@H]2[C@@H]3CCCC[C@@H]3C2(C)C)on1 ZINC000122267204 633163168 /nfs/dbraw/zinc/16/31/68/633163168.db2.gz DDGSLPBOPBSUOJ-RDBSUJKOSA-N 0 3 248.370 3.287 20 0 BGADHN CCCCCN(Cc1ccncc1)C1CC1 ZINC000122274776 387503533 /nfs/dbraw/zinc/50/35/33/387503533.db2.gz CJSMPWDEYVFHQP-UHFFFAOYSA-N 0 3 218.344 3.236 20 0 BGADHN CC(C)(C)CCN(Cc1ccncc1)C1CC1 ZINC000122279909 384473296 /nfs/dbraw/zinc/47/32/96/384473296.db2.gz JFMLFCLCDVKJKC-UHFFFAOYSA-N 0 3 232.371 3.482 20 0 BGADHN CCC[C@@H](C)N[C@@H](COC)c1ccc(C)o1 ZINC000122293991 169371726 /nfs/dbraw/zinc/37/17/26/169371726.db2.gz FJDUXIPJXIGCCH-PWSUYJOCSA-N 0 3 225.332 3.054 20 0 BGADHN CCC[C@H](C)N[C@@H](COC)c1ccc(C)o1 ZINC000122294225 384473165 /nfs/dbraw/zinc/47/31/65/384473165.db2.gz FJDUXIPJXIGCCH-JQWIXIFHSA-N 0 3 225.332 3.054 20 0 BGADHN CCC[C@@H](C)N[C@H](COC)c1ccc(C)o1 ZINC000122294501 169371549 /nfs/dbraw/zinc/37/15/49/169371549.db2.gz FJDUXIPJXIGCCH-ZYHUDNBSSA-N 0 3 225.332 3.054 20 0 BGADHN CCC[C@H](C)N[C@H](COC)c1ccc(C)o1 ZINC000122294750 384472581 /nfs/dbraw/zinc/47/25/81/384472581.db2.gz FJDUXIPJXIGCCH-CMPLNLGQSA-N 0 3 225.332 3.054 20 0 BGADHN CCC(CC)N[C@@H](COC)c1ccc(C)o1 ZINC000122296500 168390702 /nfs/dbraw/zinc/39/07/02/168390702.db2.gz CKNMRERSWUQJJW-LBPRGKRZSA-N 0 3 225.332 3.054 20 0 BGADHN CCC(CC)N[C@H](COC)c1ccc(C)o1 ZINC000122296747 168392595 /nfs/dbraw/zinc/39/25/95/168392595.db2.gz CKNMRERSWUQJJW-GFCCVEGCSA-N 0 3 225.332 3.054 20 0 BGADHN CC[C@@H]1CCCN(Cc2ccc(C)nc2)C1 ZINC000122298080 357170897 /nfs/dbraw/zinc/17/08/97/357170897.db2.gz UOVKLHLUOVOYFQ-CYBMUJFWSA-N 0 3 218.344 3.012 20 0 BGADHN CC[C@H]1CCCN(Cc2ccc(C)nc2)C1 ZINC000122298347 387504041 /nfs/dbraw/zinc/50/40/41/387504041.db2.gz UOVKLHLUOVOYFQ-ZDUSSCGKSA-N 0 3 218.344 3.012 20 0 BGADHN Cc1ccoc1CNc1cc(C)cc(C)n1 ZINC000122299559 384470876 /nfs/dbraw/zinc/47/08/76/384470876.db2.gz MCRGMDQLJOFDSJ-UHFFFAOYSA-N 0 3 216.284 3.212 20 0 BGADHN CCCC[C@@H](C)N[C@@H](COC)c1ccco1 ZINC000122304084 344954168 /nfs/dbraw/zinc/95/41/68/344954168.db2.gz QWHIHOJGZRNSBE-NEPJUHHUSA-N 0 3 225.332 3.135 20 0 BGADHN CCCC[C@H](C)N[C@@H](COC)c1ccco1 ZINC000122304261 344954347 /nfs/dbraw/zinc/95/43/47/344954347.db2.gz QWHIHOJGZRNSBE-RYUDHWBXSA-N 0 3 225.332 3.135 20 0 BGADHN CCCC[C@@H](C)N[C@H](COC)c1ccco1 ZINC000122304452 344954235 /nfs/dbraw/zinc/95/42/35/344954235.db2.gz QWHIHOJGZRNSBE-VXGBXAGGSA-N 0 3 225.332 3.135 20 0 BGADHN CCCC[C@H](C)N[C@H](COC)c1ccco1 ZINC000122304742 168992351 /nfs/dbraw/zinc/99/23/51/168992351.db2.gz QWHIHOJGZRNSBE-NWDGAFQWSA-N 0 3 225.332 3.135 20 0 BGADHN COCc1ccc(CNc2cc(C)cc(C)n2)o1 ZINC000122317553 384474960 /nfs/dbraw/zinc/47/49/60/384474960.db2.gz LAOBHIQJAUFUIP-UHFFFAOYSA-N 0 3 246.310 3.050 20 0 BGADHN CCCCCCC(=O)Nc1cccc(CN)c1 ZINC000122320803 583519357 /nfs/dbraw/zinc/51/93/57/583519357.db2.gz QWEZADVVQLHZRI-UHFFFAOYSA-N 0 3 234.343 3.054 20 0 BGADHN C[C@H](NCCOC(C)(C)C)c1ccc(F)cc1 ZINC000122324139 343158886 /nfs/dbraw/zinc/15/88/86/343158886.db2.gz SZOQEQKPWPVYSO-NSHDSACASA-N 0 3 239.334 3.291 20 0 BGADHN C[C@@H](NCCOC(C)(C)C)c1ccc(F)cc1 ZINC000122324367 343158952 /nfs/dbraw/zinc/15/89/52/343158952.db2.gz SZOQEQKPWPVYSO-LLVKDONJSA-N 0 3 239.334 3.291 20 0 BGADHN Cc1ccc(CNc2cc(C)cc(C)n2)o1 ZINC000122345023 384478033 /nfs/dbraw/zinc/47/80/33/384478033.db2.gz VNUHHPOFZJWJQW-UHFFFAOYSA-N 0 3 216.284 3.212 20 0 BGADHN CCCC(C)(C)NCc1c(C)nn(C)c1Cl ZINC000122357187 384478542 /nfs/dbraw/zinc/47/85/42/384478542.db2.gz UQVIRLDEKIKTKT-UHFFFAOYSA-N 0 3 243.782 3.050 20 0 BGADHN CCc1ccc(CNc2cc(C)cc(C)n2)o1 ZINC000122357975 387516347 /nfs/dbraw/zinc/51/63/47/387516347.db2.gz OFIYEHIOBCZIIL-UHFFFAOYSA-N 0 3 230.311 3.466 20 0 BGADHN Cc1cc(C)nc(NCc2cccs2)c1 ZINC000122382854 384479988 /nfs/dbraw/zinc/47/99/88/384479988.db2.gz YMLJGEDBRMSTDR-UHFFFAOYSA-N 0 3 218.325 3.372 20 0 BGADHN CCCN(Cc1ccnc(OC(C)C)c1)C1CC1 ZINC000122389230 169179307 /nfs/dbraw/zinc/17/93/07/169179307.db2.gz QNNOHSYCXZEUEL-UHFFFAOYSA-N 0 3 248.370 3.243 20 0 BGADHN CCc1nc(CN[C@@H]2CCC(C)(C)C2)cs1 ZINC000122392546 357174411 /nfs/dbraw/zinc/17/44/11/357174411.db2.gz ATVISACWANCBOK-SNVBAGLBSA-N 0 3 238.400 3.374 20 0 BGADHN CCc1nc(CN[C@H]2CCC(C)(C)C2)cs1 ZINC000122392797 398337662 /nfs/dbraw/zinc/33/76/62/398337662.db2.gz ATVISACWANCBOK-JTQLQIEISA-N 0 3 238.400 3.374 20 0 BGADHN CCCCCCC(=O)Nc1ccccc1CNC ZINC000122394248 589585134 /nfs/dbraw/zinc/58/51/34/589585134.db2.gz HUBYFBZLSWIZGP-UHFFFAOYSA-N 0 3 248.370 3.315 20 0 BGADHN CCCCCCC(=O)Nc1cccc(CNC)c1 ZINC000122395531 398337694 /nfs/dbraw/zinc/33/76/94/398337694.db2.gz JSLOYYMRMKWJOF-UHFFFAOYSA-N 0 3 248.370 3.315 20 0 BGADHN Cc1ccoc1CN[C@@H]1CCC(C)(C)C1 ZINC000122398947 385917580 /nfs/dbraw/zinc/91/75/80/385917580.db2.gz ZRIQFDJFCRGEQP-LLVKDONJSA-N 0 3 207.317 3.256 20 0 BGADHN Cc1ccoc1CN[C@H]1CCC(C)(C)C1 ZINC000122399168 385413708 /nfs/dbraw/zinc/41/37/08/385413708.db2.gz ZRIQFDJFCRGEQP-NSHDSACASA-N 0 3 207.317 3.256 20 0 BGADHN CCCC[C@@H]1CCC[C@@H]1NCc1ccon1 ZINC000122430373 324044219 /nfs/dbraw/zinc/04/42/19/324044219.db2.gz WNQQMKBLQKHOTD-YPMHNXCESA-N 0 3 222.332 3.123 20 0 BGADHN CCCC[C@H]1CCC[C@@H]1NCc1ccon1 ZINC000122430629 324044272 /nfs/dbraw/zinc/04/42/72/324044272.db2.gz WNQQMKBLQKHOTD-AAEUAGOBSA-N 0 3 222.332 3.123 20 0 BGADHN CCCC[C@@H]1CCC[C@H]1NCc1ccon1 ZINC000122430855 324044051 /nfs/dbraw/zinc/04/40/51/324044051.db2.gz WNQQMKBLQKHOTD-DGCLKSJQSA-N 0 3 222.332 3.123 20 0 BGADHN CCCC[C@H]1CCC[C@H]1NCc1ccon1 ZINC000122431076 324043941 /nfs/dbraw/zinc/04/39/41/324043941.db2.gz WNQQMKBLQKHOTD-WCQYABFASA-N 0 3 222.332 3.123 20 0 BGADHN CC[C@H](NCc1ccon1)C1CCCCC1 ZINC000122438251 491112891 /nfs/dbraw/zinc/11/28/91/491112891.db2.gz DUVUGVHXWBFPEV-ZDUSSCGKSA-N 0 3 222.332 3.123 20 0 BGADHN CC[C@@H](NCc1ccon1)C1CCCCC1 ZINC000122438452 491112847 /nfs/dbraw/zinc/11/28/47/491112847.db2.gz DUVUGVHXWBFPEV-CYBMUJFWSA-N 0 3 222.332 3.123 20 0 BGADHN Cc1ccsc1[C@@H](C)NCc1ccn(C)c1 ZINC000122450381 384482494 /nfs/dbraw/zinc/48/24/94/384482494.db2.gz OAPWHHJFRUHSSC-LLVKDONJSA-N 0 3 234.368 3.246 20 0 BGADHN Cc1ccsc1[C@H](C)NCc1ccn(C)c1 ZINC000122450603 384482898 /nfs/dbraw/zinc/48/28/98/384482898.db2.gz OAPWHHJFRUHSSC-NSHDSACASA-N 0 3 234.368 3.246 20 0 BGADHN C[C@H](N[C@@H]1CCC(C)(C)C1)c1cscn1 ZINC000122456707 385920351 /nfs/dbraw/zinc/92/03/51/385920351.db2.gz FFEAWISXGSGEKK-VHSXEESVSA-N 0 3 224.373 3.372 20 0 BGADHN C[C@@H](N[C@@H]1CCC(C)(C)C1)c1cscn1 ZINC000122456884 385919417 /nfs/dbraw/zinc/91/94/17/385919417.db2.gz FFEAWISXGSGEKK-NXEZZACHSA-N 0 3 224.373 3.372 20 0 BGADHN C[C@H](N[C@H]1CCC(C)(C)C1)c1cscn1 ZINC000122457062 387533040 /nfs/dbraw/zinc/53/30/40/387533040.db2.gz FFEAWISXGSGEKK-UWVGGRQHSA-N 0 3 224.373 3.372 20 0 BGADHN C[C@@H](N[C@H]1CCC(C)(C)C1)c1cscn1 ZINC000122457211 385921085 /nfs/dbraw/zinc/92/10/85/385921085.db2.gz FFEAWISXGSGEKK-ZJUUUORDSA-N 0 3 224.373 3.372 20 0 BGADHN CCSCCN(C)Cc1ccccc1C ZINC000122462231 387532222 /nfs/dbraw/zinc/53/22/22/387532222.db2.gz CPHYYXGCAIVURK-UHFFFAOYSA-N 0 3 223.385 3.180 20 0 BGADHN COc1cccc(F)c1[C@H](C)NC1CCCC1 ZINC000122467501 324046039 /nfs/dbraw/zinc/04/60/39/324046039.db2.gz SDVTXQGYNPDNHG-JTQLQIEISA-N 0 3 237.318 3.428 20 0 BGADHN COc1cccc(F)c1[C@@H](C)NC1CCCC1 ZINC000122467721 324046047 /nfs/dbraw/zinc/04/60/47/324046047.db2.gz SDVTXQGYNPDNHG-SNVBAGLBSA-N 0 3 237.318 3.428 20 0 BGADHN CC[C@@H](C)N[C@@H](C)c1c(F)cccc1OC ZINC000122481806 387534639 /nfs/dbraw/zinc/53/46/39/387534639.db2.gz QMXFCEICDOGVJA-ZJUUUORDSA-N 0 3 225.307 3.283 20 0 BGADHN CC[C@H](C)N[C@@H](C)c1c(F)cccc1OC ZINC000122482051 171346564 /nfs/dbraw/zinc/34/65/64/171346564.db2.gz QMXFCEICDOGVJA-UWVGGRQHSA-N 0 3 225.307 3.283 20 0 BGADHN CC[C@@H](C)N[C@H](C)c1c(F)cccc1OC ZINC000122482216 387535633 /nfs/dbraw/zinc/53/56/33/387535633.db2.gz QMXFCEICDOGVJA-NXEZZACHSA-N 0 3 225.307 3.283 20 0 BGADHN CC[C@H](C)N[C@H](C)c1c(F)cccc1OC ZINC000122482450 171347785 /nfs/dbraw/zinc/34/77/85/171347785.db2.gz QMXFCEICDOGVJA-VHSXEESVSA-N 0 3 225.307 3.283 20 0 BGADHN Cc1csc(CN(C)[C@@H]2CCCC[C@@H]2C)n1 ZINC000122516186 387547143 /nfs/dbraw/zinc/54/71/43/387547143.db2.gz ZIRJWQKEQPAVNW-CMPLNLGQSA-N 0 3 238.400 3.462 20 0 BGADHN Cc1csc(CN(C)[C@H]2CCCC[C@@H]2C)n1 ZINC000122516387 387545882 /nfs/dbraw/zinc/54/58/82/387545882.db2.gz ZIRJWQKEQPAVNW-JQWIXIFHSA-N 0 3 238.400 3.462 20 0 BGADHN C[C@@H](c1cc(F)ccc1F)N(C)CC1CC1 ZINC000122523549 176012997 /nfs/dbraw/zinc/01/29/97/176012997.db2.gz HMSKLOQQRKPUJL-VIFPVBQESA-N 0 3 225.282 3.368 20 0 BGADHN C[C@H](c1cc(F)ccc1F)N(C)CC1CC1 ZINC000122523801 177031375 /nfs/dbraw/zinc/03/13/75/177031375.db2.gz HMSKLOQQRKPUJL-SECBINFHSA-N 0 3 225.282 3.368 20 0 BGADHN COc1ccc(CN(C)Cc2cccs2)cc1 ZINC000122556469 384491858 /nfs/dbraw/zinc/49/18/58/384491858.db2.gz NKNJJYIMIDSDMC-UHFFFAOYSA-N 0 3 247.363 3.389 20 0 BGADHN CCc1ccc([C@@H](C)N[C@@H]2CCCSC2)o1 ZINC000122559945 384491200 /nfs/dbraw/zinc/49/12/00/384491200.db2.gz WINATBUZQCFVLX-GHMZBOCLSA-N 0 3 239.384 3.388 20 0 BGADHN CCc1ccc([C@H](C)N[C@@H]2CCCSC2)o1 ZINC000122560127 384491949 /nfs/dbraw/zinc/49/19/49/384491949.db2.gz WINATBUZQCFVLX-WDEREUQCSA-N 0 3 239.384 3.388 20 0 BGADHN CCc1ccc([C@@H](C)N[C@H]2CCCSC2)o1 ZINC000122560384 384490705 /nfs/dbraw/zinc/49/07/05/384490705.db2.gz WINATBUZQCFVLX-MNOVXSKESA-N 0 3 239.384 3.388 20 0 BGADHN CCc1ccc([C@H](C)N[C@H]2CCCSC2)o1 ZINC000122560618 384493111 /nfs/dbraw/zinc/49/31/11/384493111.db2.gz WINATBUZQCFVLX-QWRGUYRKSA-N 0 3 239.384 3.388 20 0 BGADHN Cc1nc(CN[C@@H]2CCC(C)(C)C2)sc1C ZINC000122616373 387567697 /nfs/dbraw/zinc/56/76/97/387567697.db2.gz ZNHARWWXNLRPNJ-LLVKDONJSA-N 0 3 238.400 3.428 20 0 BGADHN Cc1nc(CN[C@H]2CCC(C)(C)C2)sc1C ZINC000122616642 387567496 /nfs/dbraw/zinc/56/74/96/387567496.db2.gz ZNHARWWXNLRPNJ-NSHDSACASA-N 0 3 238.400 3.428 20 0 BGADHN C[C@@H](NCc1cnc2ccccc2n1)C(C)(C)C ZINC000122632951 490158268 /nfs/dbraw/zinc/15/82/68/490158268.db2.gz SNCSBIOGWVLIHP-LLVKDONJSA-N 0 3 243.354 3.154 20 0 BGADHN COc1cccc(CN[C@H](C)C(C)(C)C)c1F ZINC000122689583 411435778 /nfs/dbraw/zinc/43/57/78/411435778.db2.gz AWEDNKDGZOUEEY-SNVBAGLBSA-N 0 3 239.334 3.359 20 0 BGADHN CCSCCN(Cc1cccs1)C1CC1 ZINC000122711234 384506266 /nfs/dbraw/zinc/50/62/66/384506266.db2.gz XTRPRILJSVENBH-UHFFFAOYSA-N 0 3 241.425 3.466 20 0 BGADHN CCc1noc(C)c1CN1CC[C@H](C)[C@H](C)C1 ZINC000122739094 172076660 /nfs/dbraw/zinc/07/66/60/172076660.db2.gz XJBCMHXPCWRGMD-WDEREUQCSA-N 0 3 236.359 3.023 20 0 BGADHN CCc1noc(C)c1CN1CC[C@@H](C)[C@H](C)C1 ZINC000122739342 172077748 /nfs/dbraw/zinc/07/77/48/172077748.db2.gz XJBCMHXPCWRGMD-GHMZBOCLSA-N 0 3 236.359 3.023 20 0 BGADHN COCCCCCN[C@H](C)c1ccc(C)o1 ZINC000122780611 174184925 /nfs/dbraw/zinc/18/49/25/174184925.db2.gz BKSPSRKFGMQHQU-GFCCVEGCSA-N 0 3 225.332 3.055 20 0 BGADHN COCCCCCN[C@@H](C)c1ccc(C)o1 ZINC000122780838 174183118 /nfs/dbraw/zinc/18/31/18/174183118.db2.gz BKSPSRKFGMQHQU-LBPRGKRZSA-N 0 3 225.332 3.055 20 0 BGADHN CCc1ccc([C@@H](C)NCCCCCOC)o1 ZINC000122794960 384511658 /nfs/dbraw/zinc/51/16/58/384511658.db2.gz WRVGHLRPPZVTJS-GFCCVEGCSA-N 0 3 239.359 3.309 20 0 BGADHN CCc1ccc([C@H](C)NCCCCCOC)o1 ZINC000122795144 384511280 /nfs/dbraw/zinc/51/12/80/384511280.db2.gz WRVGHLRPPZVTJS-LBPRGKRZSA-N 0 3 239.359 3.309 20 0 BGADHN Cc1c2ccccc2oc1[C@@H](C)N[C@@H](C)CCO ZINC000122811708 384510526 /nfs/dbraw/zinc/51/05/26/384510526.db2.gz HJRKYHCAECVMHJ-CMPLNLGQSA-N 0 3 247.338 3.163 20 0 BGADHN Cc1c2ccccc2oc1[C@H](C)N[C@@H](C)CCO ZINC000122811893 384511085 /nfs/dbraw/zinc/51/10/85/384511085.db2.gz HJRKYHCAECVMHJ-JQWIXIFHSA-N 0 3 247.338 3.163 20 0 BGADHN Cc1c2ccccc2oc1[C@@H](C)N[C@H](C)CCO ZINC000122812098 384510883 /nfs/dbraw/zinc/51/08/83/384510883.db2.gz HJRKYHCAECVMHJ-ZYHUDNBSSA-N 0 3 247.338 3.163 20 0 BGADHN Cc1c2ccccc2oc1[C@H](C)N[C@H](C)CCO ZINC000122812287 384511726 /nfs/dbraw/zinc/51/17/26/384511726.db2.gz HJRKYHCAECVMHJ-PWSUYJOCSA-N 0 3 247.338 3.163 20 0 BGADHN CCc1cc(N2CCCC2)c2ccccc2n1 ZINC000122826324 386523119 /nfs/dbraw/zinc/52/31/19/386523119.db2.gz YAWGJFJQLNBQKE-UHFFFAOYSA-N 0 3 226.323 3.397 20 0 BGADHN CCc1cc(NCCCOC)c2ccccc2n1 ZINC000122849768 386523557 /nfs/dbraw/zinc/52/35/57/386523557.db2.gz FALYFNMFZAEJBR-UHFFFAOYSA-N 0 3 244.338 3.246 20 0 BGADHN Cc1ccc([C@H](C)NC2C[C@@H](C)O[C@H](C)C2)o1 ZINC000122864131 387609574 /nfs/dbraw/zinc/60/95/74/387609574.db2.gz XCFQGKVAWWMBIQ-UTUOFQBUSA-N 0 3 237.343 3.195 20 0 BGADHN C[C@@H]1CCN(Cc2nc3ccccc3o2)C[C@@H]1C ZINC000122868545 176176975 /nfs/dbraw/zinc/17/69/75/176176975.db2.gz DLENQGOVBUVPMB-NEPJUHHUSA-N 0 3 244.338 3.306 20 0 BGADHN C[C@H]1CN(Cc2nc3ccccc3o2)CC[C@@H]1C ZINC000122868738 177168522 /nfs/dbraw/zinc/16/85/22/177168522.db2.gz DLENQGOVBUVPMB-RYUDHWBXSA-N 0 3 244.338 3.306 20 0 BGADHN CC(C)c1ncc(CN(C)CC2CC2)s1 ZINC000122886995 387611187 /nfs/dbraw/zinc/61/11/87/387611187.db2.gz IXZGFHSQRDJIJD-UHFFFAOYSA-N 0 3 224.373 3.108 20 0 BGADHN CN(Cc1ccc(F)c(Cl)c1)CC1CC1 ZINC000122902316 172851607 /nfs/dbraw/zinc/85/16/07/172851607.db2.gz YSFPLTLBOGMIDZ-UHFFFAOYSA-N 0 3 227.710 3.321 20 0 BGADHN C[C@@H]1CC[C@H](C)N1Cc1ccncc1Cl ZINC000122928950 177187336 /nfs/dbraw/zinc/18/73/36/177187336.db2.gz YWWMIHCYEYUBFF-AOOOYVTPSA-N 0 3 224.735 3.108 20 0 BGADHN C[C@H]1CC[C@H](C)N1Cc1ccncc1Cl ZINC000122929161 177199922 /nfs/dbraw/zinc/19/99/22/177199922.db2.gz YWWMIHCYEYUBFF-UWVGGRQHSA-N 0 3 224.735 3.108 20 0 BGADHN C[C@@H]1CC[C@@H](C)N1Cc1ccncc1Cl ZINC000122929373 176200359 /nfs/dbraw/zinc/20/03/59/176200359.db2.gz YWWMIHCYEYUBFF-NXEZZACHSA-N 0 3 224.735 3.108 20 0 BGADHN CN(Cc1cc(Cl)ccc1F)CC1CC1 ZINC000122933550 387620103 /nfs/dbraw/zinc/62/01/03/387620103.db2.gz NTQGURLGCVKXRO-UHFFFAOYSA-N 0 3 227.710 3.321 20 0 BGADHN CN(Cc1ccccc1OCC1CC1)CC1CC1 ZINC000122936828 387618296 /nfs/dbraw/zinc/61/82/96/387618296.db2.gz ILPIEINAJGAXAF-UHFFFAOYSA-N 0 3 245.366 3.317 20 0 BGADHN CN(Cc1cnc(C(C)(C)C)s1)CC1CC1 ZINC000122937095 387618337 /nfs/dbraw/zinc/61/83/37/387618337.db2.gz SDVBVCGNMCVNSQ-UHFFFAOYSA-N 0 3 238.400 3.282 20 0 BGADHN CCCC[C@@H](C)NCc1ncc(C)s1 ZINC000122946792 323101381 /nfs/dbraw/zinc/10/13/81/323101381.db2.gz JHMSHKSJMWGLTL-SECBINFHSA-N 0 3 212.362 3.120 20 0 BGADHN CCCC[C@H](C)NCc1ncc(C)s1 ZINC000122947022 324066593 /nfs/dbraw/zinc/06/65/93/324066593.db2.gz JHMSHKSJMWGLTL-VIFPVBQESA-N 0 3 212.362 3.120 20 0 BGADHN CN(Cc1cnc(C2CCC2)s1)CC1CC1 ZINC000122948813 387619641 /nfs/dbraw/zinc/61/96/41/387619641.db2.gz LNMZAJCHUIMPGX-UHFFFAOYSA-N 0 3 236.384 3.252 20 0 BGADHN C[C@@H](CNCc1cccc(F)c1F)C1CC1 ZINC000122951292 368973664 /nfs/dbraw/zinc/97/36/64/368973664.db2.gz ITLRLIAHYOHZRD-VIFPVBQESA-N 0 3 225.282 3.101 20 0 BGADHN C[C@H](CNCc1cccc(F)c1F)C1CC1 ZINC000122951501 368972969 /nfs/dbraw/zinc/97/29/69/368972969.db2.gz ITLRLIAHYOHZRD-SECBINFHSA-N 0 3 225.282 3.101 20 0 BGADHN CC(C)Cc1ncc(CN(C)CC2CC2)s1 ZINC000122959148 387618413 /nfs/dbraw/zinc/61/84/13/387618413.db2.gz CFWXYLLNTLBMMO-UHFFFAOYSA-N 0 3 238.400 3.183 20 0 BGADHN Cc1cnc(CNC2[C@@H](C)CCC[C@@H]2C)s1 ZINC000122966857 387622131 /nfs/dbraw/zinc/62/21/31/387622131.db2.gz XYMRLVYJSABSHR-UWVGGRQHSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1cnc(CNC2[C@H](C)CCC[C@H]2C)s1 ZINC000122967043 387621458 /nfs/dbraw/zinc/62/14/58/387621458.db2.gz XYMRLVYJSABSHR-NXEZZACHSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1cnc(CN[C@@H](C)CCC(C)C)s1 ZINC000122970809 385848067 /nfs/dbraw/zinc/84/80/67/385848067.db2.gz VOFPVZXNSKRLCZ-JTQLQIEISA-N 0 3 226.389 3.366 20 0 BGADHN Cc1cnc(CN[C@H](C)CCC(C)C)s1 ZINC000122971027 385848666 /nfs/dbraw/zinc/84/86/66/385848666.db2.gz VOFPVZXNSKRLCZ-SNVBAGLBSA-N 0 3 226.389 3.366 20 0 BGADHN C[C@@H]1CC[C@H](C)N1Cc1ccc(F)c(F)c1 ZINC000122971968 177187381 /nfs/dbraw/zinc/18/73/81/177187381.db2.gz VTTMTTNLUSEYGG-AOOOYVTPSA-N 0 3 225.282 3.338 20 0 BGADHN C[C@H]1CC[C@H](C)N1Cc1ccc(F)c(F)c1 ZINC000122972150 177198976 /nfs/dbraw/zinc/19/89/76/177198976.db2.gz VTTMTTNLUSEYGG-UWVGGRQHSA-N 0 3 225.282 3.338 20 0 BGADHN C[C@@H]1CC[C@@H](C)N1Cc1ccc(F)c(F)c1 ZINC000122972366 176199655 /nfs/dbraw/zinc/19/96/55/176199655.db2.gz VTTMTTNLUSEYGG-NXEZZACHSA-N 0 3 225.282 3.338 20 0 BGADHN Cc1cnc(CN[C@@H]2CCCC[C@@H]2C)s1 ZINC000122972593 179608624 /nfs/dbraw/zinc/60/86/24/179608624.db2.gz AYAIQQROLAMLFP-GXSJLCMTSA-N 0 3 224.373 3.120 20 0 BGADHN Cc1cnc(CN[C@H]2CCCC[C@@H]2C)s1 ZINC000122972796 385848357 /nfs/dbraw/zinc/84/83/57/385848357.db2.gz AYAIQQROLAMLFP-ONGXEEELSA-N 0 3 224.373 3.120 20 0 BGADHN Cc1cnc(CN[C@@H]2CCCC[C@H]2C)s1 ZINC000122973041 385848747 /nfs/dbraw/zinc/84/87/47/385848747.db2.gz AYAIQQROLAMLFP-MWLCHTKSSA-N 0 3 224.373 3.120 20 0 BGADHN Cc1cnc(CN[C@H]2CCCC[C@H]2C)s1 ZINC000122973254 385848526 /nfs/dbraw/zinc/84/85/26/385848526.db2.gz AYAIQQROLAMLFP-KOLCDFICSA-N 0 3 224.373 3.120 20 0 BGADHN Fc1cccc(CN2CCC3(CCC3)C2)c1 ZINC000122974685 387621066 /nfs/dbraw/zinc/62/10/66/387621066.db2.gz CQTGLULARUGZIO-UHFFFAOYSA-N 0 3 219.303 3.202 20 0 BGADHN Fc1cc(CNCCC2CCC2)cc(F)c1F ZINC000122987150 589647592 /nfs/dbraw/zinc/64/75/92/589647592.db2.gz KQWVATGEFZDEKM-UHFFFAOYSA-N 0 3 243.272 3.384 20 0 BGADHN CCOc1ccc(CN2CCCC2)cc1OCC ZINC000122999611 384529426 /nfs/dbraw/zinc/52/94/26/384529426.db2.gz MKYZUWPQTZEZHT-UHFFFAOYSA-N 0 3 249.354 3.080 20 0 BGADHN Fc1ccccc1OCCN1CCC2(CCC2)C1 ZINC000123006695 181013964 /nfs/dbraw/zinc/01/39/64/181013964.db2.gz GWGRWVCVWHNOLF-UHFFFAOYSA-N 0 3 249.329 3.081 20 0 BGADHN COc1c(C)cnc(CN2[C@H](C)CC[C@@H]2C)c1C ZINC000123007212 387634078 /nfs/dbraw/zinc/63/40/78/387634078.db2.gz OINSNRVBJQUCID-TXEJJXNPSA-N 0 3 248.370 3.080 20 0 BGADHN COc1c(C)cnc(CN2[C@@H](C)CC[C@@H]2C)c1C ZINC000123007429 387635908 /nfs/dbraw/zinc/63/59/08/387635908.db2.gz OINSNRVBJQUCID-RYUDHWBXSA-N 0 3 248.370 3.080 20 0 BGADHN COc1c(C)cnc(CN2[C@H](C)CC[C@H]2C)c1C ZINC000123007649 387635437 /nfs/dbraw/zinc/63/54/37/387635437.db2.gz OINSNRVBJQUCID-VXGBXAGGSA-N 0 3 248.370 3.080 20 0 BGADHN C[C@@H](Cc1ccc(O)cc1)N[C@@H](C)c1ccco1 ZINC000123010794 384529502 /nfs/dbraw/zinc/52/95/02/384529502.db2.gz TVHYVSDRUCSORJ-RYUDHWBXSA-N 0 3 245.322 3.267 20 0 BGADHN C[C@H](Cc1ccc(O)cc1)N[C@@H](C)c1ccco1 ZINC000123011017 384529463 /nfs/dbraw/zinc/52/94/63/384529463.db2.gz TVHYVSDRUCSORJ-NEPJUHHUSA-N 0 3 245.322 3.267 20 0 BGADHN C[C@@H](N[C@@H](C)Cc1ccc(O)cc1)c1ccco1 ZINC000123011211 384529204 /nfs/dbraw/zinc/52/92/04/384529204.db2.gz TVHYVSDRUCSORJ-NWDGAFQWSA-N 0 3 245.322 3.267 20 0 BGADHN C[C@H](Cc1ccc(O)cc1)N[C@H](C)c1ccco1 ZINC000123011459 384528427 /nfs/dbraw/zinc/52/84/27/384528427.db2.gz TVHYVSDRUCSORJ-VXGBXAGGSA-N 0 3 245.322 3.267 20 0 BGADHN CCc1ccc(CNCc2cncc(C)c2)cc1 ZINC000123016873 387636632 /nfs/dbraw/zinc/63/66/32/387636632.db2.gz JJYSQBSPSBRDSV-UHFFFAOYSA-N 0 3 240.350 3.242 20 0 BGADHN Cc1cnc(CN[C@@H](C)C2CCCC2)s1 ZINC000123017837 385850143 /nfs/dbraw/zinc/85/01/43/385850143.db2.gz MGGBPTZVXPWBGP-JTQLQIEISA-N 0 3 224.373 3.120 20 0 BGADHN Cc1cnc(CN[C@H](C)C2CCCC2)s1 ZINC000123018028 385849781 /nfs/dbraw/zinc/84/97/81/385849781.db2.gz MGGBPTZVXPWBGP-SNVBAGLBSA-N 0 3 224.373 3.120 20 0 BGADHN Cn1ccc(CN[C@@H](c2cccs2)C2CC2)c1 ZINC000123021478 180704002 /nfs/dbraw/zinc/70/40/02/180704002.db2.gz GEGIFZULLSAHQE-CQSZACIVSA-N 0 3 246.379 3.328 20 0 BGADHN Cn1ccc(CN[C@H](c2cccs2)C2CC2)c1 ZINC000123021631 387635573 /nfs/dbraw/zinc/63/55/73/387635573.db2.gz GEGIFZULLSAHQE-AWEZNQCLSA-N 0 3 246.379 3.328 20 0 BGADHN COc1ccc2oc(CN3CCCC3)cc2c1 ZINC000123023059 175230698 /nfs/dbraw/zinc/23/06/98/175230698.db2.gz CHYLKBAUSSXZGB-UHFFFAOYSA-N 0 3 231.295 3.037 20 0 BGADHN C[C@@H]1CC[C@H](C)N1Cc1cc(F)ccc1F ZINC000123033923 177186423 /nfs/dbraw/zinc/18/64/23/177186423.db2.gz MSQNAUWEIBULNQ-AOOOYVTPSA-N 0 3 225.282 3.338 20 0 BGADHN C[C@H]1CC[C@H](C)N1Cc1cc(F)ccc1F ZINC000123034139 177199200 /nfs/dbraw/zinc/19/92/00/177199200.db2.gz MSQNAUWEIBULNQ-UWVGGRQHSA-N 0 3 225.282 3.338 20 0 BGADHN C[C@@H]1CC[C@@H](C)N1Cc1cc(F)ccc1F ZINC000123034364 176200032 /nfs/dbraw/zinc/20/00/32/176200032.db2.gz MSQNAUWEIBULNQ-NXEZZACHSA-N 0 3 225.282 3.338 20 0 BGADHN CC(C)c1cc(CNC[C@H]2CC=CCC2)on1 ZINC000123042803 490193340 /nfs/dbraw/zinc/19/33/40/490193340.db2.gz PECNVJAHWWADEX-LBPRGKRZSA-N 0 3 234.343 3.244 20 0 BGADHN Fc1ccc(CN2CCC3(CCC3)C2)cc1 ZINC000123042890 387639512 /nfs/dbraw/zinc/63/95/12/387639512.db2.gz OMGQUUMMAGXVNU-UHFFFAOYSA-N 0 3 219.303 3.202 20 0 BGADHN CC(C)c1cc(CNC[C@@H]2CC=CCC2)on1 ZINC000123043016 490193082 /nfs/dbraw/zinc/19/30/82/490193082.db2.gz PECNVJAHWWADEX-GFCCVEGCSA-N 0 3 234.343 3.244 20 0 BGADHN CCCN(C)[C@@H](C)c1ccc(F)cc1F ZINC000123046309 169085794 /nfs/dbraw/zinc/08/57/94/169085794.db2.gz KFSUTAOKRNKRFA-VIFPVBQESA-N 0 3 213.271 3.368 20 0 BGADHN CCCN(C)[C@H](C)c1ccc(F)cc1F ZINC000123046481 169086584 /nfs/dbraw/zinc/08/65/84/169086584.db2.gz KFSUTAOKRNKRFA-SECBINFHSA-N 0 3 213.271 3.368 20 0 BGADHN Cc1ccsc1CNCc1cncc(C)c1 ZINC000123047266 387641646 /nfs/dbraw/zinc/64/16/46/387641646.db2.gz CBMTUOLZRVWOQJ-UHFFFAOYSA-N 0 3 232.352 3.050 20 0 BGADHN C[C@@H]1CC[C@H](C)N1CCOc1ccccc1F ZINC000123061617 177186205 /nfs/dbraw/zinc/18/62/05/177186205.db2.gz WDNGOXPFRCECIJ-TXEJJXNPSA-N 0 3 237.318 3.077 20 0 BGADHN C[C@H]1CC[C@H](C)N1CCOc1ccccc1F ZINC000123061816 177198876 /nfs/dbraw/zinc/19/88/76/177198876.db2.gz WDNGOXPFRCECIJ-RYUDHWBXSA-N 0 3 237.318 3.077 20 0 BGADHN C[C@@H]1CC[C@@H](C)N1CCOc1ccccc1F ZINC000123062027 176200379 /nfs/dbraw/zinc/20/03/79/176200379.db2.gz WDNGOXPFRCECIJ-VXGBXAGGSA-N 0 3 237.318 3.077 20 0 BGADHN CCCN(Cc1ccco1)C[C@@H]1CCCCO1 ZINC000123064567 169179225 /nfs/dbraw/zinc/17/92/25/169179225.db2.gz HPYXFOINMYFQKI-ZDUSSCGKSA-N 0 3 237.343 3.061 20 0 BGADHN CCCN(Cc1ccco1)C[C@H]1CCCCO1 ZINC000123064798 169178782 /nfs/dbraw/zinc/17/87/82/169178782.db2.gz HPYXFOINMYFQKI-CYBMUJFWSA-N 0 3 237.343 3.061 20 0 BGADHN C[C@@H]1CC[C@H](C)N1Cc1cccc(F)c1F ZINC000123064975 177186997 /nfs/dbraw/zinc/18/69/97/177186997.db2.gz KRYSVLWWZGUKGU-AOOOYVTPSA-N 0 3 225.282 3.338 20 0 BGADHN C[C@H]1CC[C@H](C)N1Cc1cccc(F)c1F ZINC000123065180 177199862 /nfs/dbraw/zinc/19/98/62/177199862.db2.gz KRYSVLWWZGUKGU-UWVGGRQHSA-N 0 3 225.282 3.338 20 0 BGADHN C[C@@H]1CC[C@@H](C)N1Cc1cccc(F)c1F ZINC000123065397 176199968 /nfs/dbraw/zinc/19/99/68/176199968.db2.gz KRYSVLWWZGUKGU-NXEZZACHSA-N 0 3 225.282 3.338 20 0 BGADHN Cc1ccc(CNCc2cncc(C)c2)s1 ZINC000123073258 387643463 /nfs/dbraw/zinc/64/34/63/387643463.db2.gz WYTZZCTVTALSSL-UHFFFAOYSA-N 0 3 232.352 3.050 20 0 BGADHN COc1ccc(OC)c(CN2[C@H](C)CC[C@@H]2C)c1 ZINC000123075124 175165066 /nfs/dbraw/zinc/16/50/66/175165066.db2.gz SWVLZUKSFZYLIX-TXEJJXNPSA-N 0 3 249.354 3.077 20 0 BGADHN COc1ccc(OC)c(CN2[C@@H](C)CC[C@@H]2C)c1 ZINC000123075325 175165995 /nfs/dbraw/zinc/16/59/95/175165995.db2.gz SWVLZUKSFZYLIX-RYUDHWBXSA-N 0 3 249.354 3.077 20 0 BGADHN COc1ccc(OC)c(CN2[C@H](C)CC[C@H]2C)c1 ZINC000123075530 175165354 /nfs/dbraw/zinc/16/53/54/175165354.db2.gz SWVLZUKSFZYLIX-VXGBXAGGSA-N 0 3 249.354 3.077 20 0 BGADHN COCCC1(CN[C@@H](C)c2ccco2)CCC1 ZINC000123080400 174155882 /nfs/dbraw/zinc/15/58/82/174155882.db2.gz NALRRVLCGCSNDH-LBPRGKRZSA-N 0 3 237.343 3.137 20 0 BGADHN COCCC1(CN[C@H](C)c2ccco2)CCC1 ZINC000123080640 174155827 /nfs/dbraw/zinc/15/58/27/174155827.db2.gz NALRRVLCGCSNDH-GFCCVEGCSA-N 0 3 237.343 3.137 20 0 BGADHN C[C@@H]1CC[C@H](C)N1Cc1nc2ccc(F)cc2o1 ZINC000123099812 187225982 /nfs/dbraw/zinc/22/59/82/187225982.db2.gz ZXFWFCWZDOVLDN-AOOOYVTPSA-N 0 3 248.301 3.340 20 0 BGADHN C[C@H]1CC[C@H](C)N1Cc1nc2ccc(F)cc2o1 ZINC000123100017 177200378 /nfs/dbraw/zinc/20/03/78/177200378.db2.gz ZXFWFCWZDOVLDN-UWVGGRQHSA-N 0 3 248.301 3.340 20 0 BGADHN C[C@@H]1CC[C@@H](C)N1Cc1nc2ccc(F)cc2o1 ZINC000123100254 176199543 /nfs/dbraw/zinc/19/95/43/176199543.db2.gz ZXFWFCWZDOVLDN-NXEZZACHSA-N 0 3 248.301 3.340 20 0 BGADHN Cc1cncc(CNCc2ccc(Cl)cc2)c1 ZINC000123101259 387654443 /nfs/dbraw/zinc/65/44/43/387654443.db2.gz PHSRCLRFAYFWJI-UHFFFAOYSA-N 0 3 246.741 3.333 20 0 BGADHN Cc1ccccc1[C@@H](C)NCCOC(C)(C)C ZINC000123126600 324085272 /nfs/dbraw/zinc/08/52/72/324085272.db2.gz CTSOLWHGJNGTHC-CYBMUJFWSA-N 0 3 235.371 3.461 20 0 BGADHN Cc1ccccc1[C@H](C)NCCOC(C)(C)C ZINC000123126807 324084899 /nfs/dbraw/zinc/08/48/99/324084899.db2.gz CTSOLWHGJNGTHC-ZDUSSCGKSA-N 0 3 235.371 3.461 20 0 BGADHN Cc1ccc(CNCCCNc2ccccc2)o1 ZINC000123137795 384535152 /nfs/dbraw/zinc/53/51/52/384535152.db2.gz SGZPFCHRJHNCQR-UHFFFAOYSA-N 0 3 244.338 3.180 20 0 BGADHN C[C@@H]1CC[C@H](C)N1Cc1ccc(F)cc1F ZINC000123143948 177187089 /nfs/dbraw/zinc/18/70/89/177187089.db2.gz CHAMZGLYWSHAGO-AOOOYVTPSA-N 0 3 225.282 3.338 20 0 BGADHN C[C@H]1CC[C@H](C)N1Cc1ccc(F)cc1F ZINC000123144202 177199950 /nfs/dbraw/zinc/19/99/50/177199950.db2.gz CHAMZGLYWSHAGO-UWVGGRQHSA-N 0 3 225.282 3.338 20 0 BGADHN C[C@@H]1CC[C@@H](C)N1Cc1ccc(F)cc1F ZINC000123144432 176200449 /nfs/dbraw/zinc/20/04/49/176200449.db2.gz CHAMZGLYWSHAGO-NXEZZACHSA-N 0 3 225.282 3.338 20 0 BGADHN Cc1ccc2nc(CN3[C@H](C)CC[C@@H]3C)cn2c1 ZINC000123151939 387659898 /nfs/dbraw/zinc/65/98/98/387659898.db2.gz RCRWLXODHSNBMX-BETUJISGSA-N 0 3 243.354 3.016 20 0 BGADHN Cc1ccc2nc(CN3[C@@H](C)CC[C@@H]3C)cn2c1 ZINC000123152139 387659365 /nfs/dbraw/zinc/65/93/65/387659365.db2.gz RCRWLXODHSNBMX-STQMWFEESA-N 0 3 243.354 3.016 20 0 BGADHN Cc1ccc2nc(CN3[C@H](C)CC[C@H]3C)cn2c1 ZINC000123152342 387659036 /nfs/dbraw/zinc/65/90/36/387659036.db2.gz RCRWLXODHSNBMX-CHWSQXEVSA-N 0 3 243.354 3.016 20 0 BGADHN CCOc1cccc(CN(C)CC2CCCC2)n1 ZINC000123168765 387659111 /nfs/dbraw/zinc/65/91/11/387659111.db2.gz YOAKMRJBFQGLMX-UHFFFAOYSA-N 0 3 248.370 3.102 20 0 BGADHN CN(Cc1nc2ccccc2[nH]1)CC1CCCC1 ZINC000123170459 387659073 /nfs/dbraw/zinc/65/90/73/387659073.db2.gz DICVMBUTGRSXQO-UHFFFAOYSA-N 0 3 243.354 3.185 20 0 BGADHN CC[C@H](NCc1c(F)cccc1F)C1CC1 ZINC000123189116 490201841 /nfs/dbraw/zinc/20/18/41/490201841.db2.gz PHXGQMDTZAMXML-ZDUSSCGKSA-N 0 3 225.282 3.243 20 0 BGADHN CC[C@@H](NCc1c(F)cccc1F)C1CC1 ZINC000123189359 490201905 /nfs/dbraw/zinc/20/19/05/490201905.db2.gz PHXGQMDTZAMXML-CYBMUJFWSA-N 0 3 225.282 3.243 20 0 BGADHN CC(C)(NC[C@H]1CC=CCC1)c1nccs1 ZINC000123210460 187295937 /nfs/dbraw/zinc/29/59/37/187295937.db2.gz PSRSPMKZQKMSFC-NSHDSACASA-N 0 3 236.384 3.324 20 0 BGADHN CC(C)(NC[C@@H]1CC=CCC1)c1nccs1 ZINC000123210701 187295727 /nfs/dbraw/zinc/29/57/27/187295727.db2.gz PSRSPMKZQKMSFC-LLVKDONJSA-N 0 3 236.384 3.324 20 0 BGADHN CC[C@@H]1CCC[C@@H]1NCc1nc2ccccc2[nH]1 ZINC000123224529 387669685 /nfs/dbraw/zinc/66/96/85/387669685.db2.gz QJKJZQHUGOQXLV-NEPJUHHUSA-N 0 3 243.354 3.231 20 0 BGADHN CC[C@H]1CCC[C@@H]1NCc1nc2ccccc2[nH]1 ZINC000123224746 387669873 /nfs/dbraw/zinc/66/98/73/387669873.db2.gz QJKJZQHUGOQXLV-RYUDHWBXSA-N 0 3 243.354 3.231 20 0 BGADHN CC[C@@H]1CCC[C@H]1NCc1nc2ccccc2[nH]1 ZINC000123224987 171000741 /nfs/dbraw/zinc/00/07/41/171000741.db2.gz QJKJZQHUGOQXLV-VXGBXAGGSA-N 0 3 243.354 3.231 20 0 BGADHN CC[C@H]1CCC[C@H]1NCc1nc2ccccc2[nH]1 ZINC000123225216 387669810 /nfs/dbraw/zinc/66/98/10/387669810.db2.gz QJKJZQHUGOQXLV-NWDGAFQWSA-N 0 3 243.354 3.231 20 0 BGADHN C[C@@H]1CC[C@H](C)N1Cc1nc2ccccc2o1 ZINC000123225521 387670226 /nfs/dbraw/zinc/67/02/26/387670226.db2.gz ILLDIDXSXBRTTP-PHIMTYICSA-N 0 3 230.311 3.201 20 0 BGADHN C[C@H]1CC[C@H](C)N1Cc1nc2ccccc2o1 ZINC000123225700 177200202 /nfs/dbraw/zinc/20/02/02/177200202.db2.gz ILLDIDXSXBRTTP-QWRGUYRKSA-N 0 3 230.311 3.201 20 0 BGADHN C[C@@H]1CC[C@@H](C)N1Cc1nc2ccccc2o1 ZINC000123225856 176200494 /nfs/dbraw/zinc/20/04/94/176200494.db2.gz ILLDIDXSXBRTTP-GHMZBOCLSA-N 0 3 230.311 3.201 20 0 BGADHN CC[C@@H]1CCCN(Cc2ccc(C)cn2)CC1 ZINC000123232217 357219254 /nfs/dbraw/zinc/21/92/54/357219254.db2.gz PVOUPYRGFSXXQP-CQSZACIVSA-N 0 3 232.371 3.402 20 0 BGADHN CC[C@H]1CCCN(Cc2ccc(C)cn2)CC1 ZINC000123232434 384455958 /nfs/dbraw/zinc/45/59/58/384455958.db2.gz PVOUPYRGFSXXQP-AWEZNQCLSA-N 0 3 232.371 3.402 20 0 BGADHN COc1ccc(CN2[C@H](C)CC[C@@H]2C)cc1F ZINC000123236466 384464066 /nfs/dbraw/zinc/46/40/66/384464066.db2.gz KKSUVROXEJRASP-PHIMTYICSA-N 0 3 237.318 3.207 20 0 BGADHN COc1ccc(CN2[C@@H](C)CC[C@@H]2C)cc1F ZINC000123236686 387670580 /nfs/dbraw/zinc/67/05/80/387670580.db2.gz KKSUVROXEJRASP-QWRGUYRKSA-N 0 3 237.318 3.207 20 0 BGADHN COc1ccc(CN2[C@H](C)CC[C@H]2C)cc1F ZINC000123236903 387670857 /nfs/dbraw/zinc/67/08/57/387670857.db2.gz KKSUVROXEJRASP-GHMZBOCLSA-N 0 3 237.318 3.207 20 0 BGADHN CCOC[C@H](C)NCc1c(C)oc2ccccc21 ZINC000123293714 324115672 /nfs/dbraw/zinc/11/56/72/324115672.db2.gz BOGZQOOQPJDCQB-NSHDSACASA-N 0 3 247.338 3.256 20 0 BGADHN C[C@@H](CO)N[C@@H](C)c1cccc(Cl)c1Cl ZINC000123300127 385871073 /nfs/dbraw/zinc/87/10/73/385871073.db2.gz IPGWJKAUCJAVAU-YUMQZZPRSA-N 0 3 248.153 3.025 20 0 BGADHN C[C@@H](N[C@@H](C)CO)c1cccc(Cl)c1Cl ZINC000123300384 175757769 /nfs/dbraw/zinc/75/77/69/175757769.db2.gz IPGWJKAUCJAVAU-JGVFFNPUSA-N 0 3 248.153 3.025 20 0 BGADHN C[C@@H]1CC[C@H](C)N1Cc1nc2cc(F)ccc2o1 ZINC000123301451 177186851 /nfs/dbraw/zinc/18/68/51/177186851.db2.gz BKSBIZRAQCQBDK-AOOOYVTPSA-N 0 3 248.301 3.340 20 0 BGADHN C[C@H]1CC[C@H](C)N1Cc1nc2cc(F)ccc2o1 ZINC000123301657 177199859 /nfs/dbraw/zinc/19/98/59/177199859.db2.gz BKSBIZRAQCQBDK-UWVGGRQHSA-N 0 3 248.301 3.340 20 0 BGADHN C[C@@H]1CC[C@@H](C)N1Cc1nc2cc(F)ccc2o1 ZINC000123301923 176199590 /nfs/dbraw/zinc/19/95/90/176199590.db2.gz BKSBIZRAQCQBDK-NXEZZACHSA-N 0 3 248.301 3.340 20 0 BGADHN COc1ccc(CN2CCC3(CCC3)C2)cc1F ZINC000123309771 384552012 /nfs/dbraw/zinc/55/20/12/384552012.db2.gz RSWHTWZOVUEAQR-UHFFFAOYSA-N 0 3 249.329 3.210 20 0 BGADHN Cc1oc2ccccc2c1CN[C@@H]1CCCOC1 ZINC000123315183 384552618 /nfs/dbraw/zinc/55/26/18/384552618.db2.gz KMHFYXISJIZUGH-GFCCVEGCSA-N 0 3 245.322 3.010 20 0 BGADHN Cc1oc2ccccc2c1CN[C@H]1CCCOC1 ZINC000123315404 384550726 /nfs/dbraw/zinc/55/07/26/384550726.db2.gz KMHFYXISJIZUGH-LBPRGKRZSA-N 0 3 245.322 3.010 20 0 BGADHN C[C@@H](CO)N[C@@H](C)c1cc(Cl)cc(Cl)c1 ZINC000123354104 385876948 /nfs/dbraw/zinc/87/69/48/385876948.db2.gz YLAPTJFWGPTNSJ-YUMQZZPRSA-N 0 3 248.153 3.025 20 0 BGADHN C[C@@H](N[C@@H](C)CO)c1cc(Cl)cc(Cl)c1 ZINC000123354276 385876690 /nfs/dbraw/zinc/87/66/90/385876690.db2.gz YLAPTJFWGPTNSJ-JGVFFNPUSA-N 0 3 248.153 3.025 20 0 BGADHN C[C@@H]1CC[C@H](C)N1Cc1ccccc1F ZINC000123382844 177187845 /nfs/dbraw/zinc/18/78/45/177187845.db2.gz DNIAWCWGFGTHAO-PHIMTYICSA-N 0 3 207.292 3.199 20 0 BGADHN C[C@H]1CC[C@H](C)N1Cc1ccccc1F ZINC000123383100 177199995 /nfs/dbraw/zinc/19/99/95/177199995.db2.gz DNIAWCWGFGTHAO-QWRGUYRKSA-N 0 3 207.292 3.199 20 0 BGADHN C[C@@H]1CC[C@@H](C)N1Cc1ccccc1F ZINC000123383311 176199604 /nfs/dbraw/zinc/19/96/04/176199604.db2.gz DNIAWCWGFGTHAO-GHMZBOCLSA-N 0 3 207.292 3.199 20 0 BGADHN CCC(CC)CNCc1cn2cccc(C)c2n1 ZINC000123388557 324310140 /nfs/dbraw/zinc/31/01/40/324310140.db2.gz JNCLUHKJBVXUGB-UHFFFAOYSA-N 0 3 245.370 3.169 20 0 BGADHN c1ccc([C@@H]2CCN(Cc3ccccn3)C2)cc1 ZINC000123389508 387687094 /nfs/dbraw/zinc/68/70/94/387687094.db2.gz BIZFQHSPQRQZDR-OAHLLOKOSA-N 0 3 238.334 3.071 20 0 BGADHN c1ccc([C@H]2CCN(Cc3ccccn3)C2)cc1 ZINC000123389773 387686688 /nfs/dbraw/zinc/68/66/88/387686688.db2.gz BIZFQHSPQRQZDR-HNNXBMFYSA-N 0 3 238.334 3.071 20 0 BGADHN C[C@H](NCCSC(F)(F)F)c1ccco1 ZINC000123404195 385883796 /nfs/dbraw/zinc/88/37/96/385883796.db2.gz LTWGIANTPVULPU-ZETCQYMHSA-N 0 3 239.262 3.183 20 0 BGADHN C[C@@H](NCCSC(F)(F)F)c1ccco1 ZINC000123404404 385883227 /nfs/dbraw/zinc/88/32/27/385883227.db2.gz LTWGIANTPVULPU-SSDOTTSWSA-N 0 3 239.262 3.183 20 0 BGADHN Cc1cc(CNCCC2=CCCC2)c(C)o1 ZINC000123418870 589703935 /nfs/dbraw/zinc/70/39/35/589703935.db2.gz GWEOGDXUNBDEOI-UHFFFAOYSA-N 0 3 219.328 3.486 20 0 BGADHN CCC1(CN[C@@H](C)c2cnccn2)CCCC1 ZINC000123422553 398338079 /nfs/dbraw/zinc/33/80/79/398338079.db2.gz GQZYUMZCIIRXPA-LBPRGKRZSA-N 0 3 233.359 3.098 20 0 BGADHN CCC1(CN[C@H](C)c2cnccn2)CCCC1 ZINC000123422784 398338039 /nfs/dbraw/zinc/33/80/39/398338039.db2.gz GQZYUMZCIIRXPA-GFCCVEGCSA-N 0 3 233.359 3.098 20 0 BGADHN [O-]c1ccc(C[NH2+]CC2CCCCC2)cc1F ZINC000123432292 388598316 /nfs/dbraw/zinc/59/83/16/388598316.db2.gz CTUGTPXVDDWYEF-UHFFFAOYSA-N 0 3 237.318 3.201 20 0 BGADHN CC[C@@H](C)N(C)Cc1ccc(F)cc1F ZINC000123432774 384559962 /nfs/dbraw/zinc/55/99/62/384559962.db2.gz KDEMYRKUAGKJIS-SECBINFHSA-N 0 3 213.271 3.195 20 0 BGADHN CCC(CC)C[NH2+]Cc1ccc([O-])c(F)c1 ZINC000123432905 168361863 /nfs/dbraw/zinc/36/18/63/168361863.db2.gz OJGZROFJLAIVNP-UHFFFAOYSA-N 0 3 225.307 3.057 20 0 BGADHN CC[C@H](C)N(C)Cc1ccc(F)cc1F ZINC000123433020 171307623 /nfs/dbraw/zinc/30/76/23/171307623.db2.gz KDEMYRKUAGKJIS-VIFPVBQESA-N 0 3 213.271 3.195 20 0 BGADHN CC(C)c1csc(CN[C@@H](C)C(C)C)n1 ZINC000123448610 385882693 /nfs/dbraw/zinc/88/26/93/385882693.db2.gz QHRJZPUJIKFZFI-JTQLQIEISA-N 0 3 226.389 3.401 20 0 BGADHN Cc1ccc(CCNCc2ccco2)c(C)c1 ZINC000123448855 387696579 /nfs/dbraw/zinc/69/65/79/387696579.db2.gz POAAJADPEVJGSN-UHFFFAOYSA-N 0 3 229.323 3.229 20 0 BGADHN CC(C)c1csc(CN[C@H](C)C(C)C)n1 ZINC000123448876 385883407 /nfs/dbraw/zinc/88/34/07/385883407.db2.gz QHRJZPUJIKFZFI-SNVBAGLBSA-N 0 3 226.389 3.401 20 0 BGADHN CC[C@@H](C)NCc1nc(C(C)C)cs1 ZINC000123451181 385883628 /nfs/dbraw/zinc/88/36/28/385883628.db2.gz AJTKGJAPLBPJNQ-SECBINFHSA-N 0 3 212.362 3.155 20 0 BGADHN CC[C@H](C)NCc1nc(C(C)C)cs1 ZINC000123451362 171343730 /nfs/dbraw/zinc/34/37/30/171343730.db2.gz AJTKGJAPLBPJNQ-VIFPVBQESA-N 0 3 212.362 3.155 20 0 BGADHN CC(C)c1csc(CN[C@@H](C)C2CC2)n1 ZINC000123454964 385883739 /nfs/dbraw/zinc/88/37/39/385883739.db2.gz LUNFLSYAVHRJFD-VIFPVBQESA-N 0 3 224.373 3.155 20 0 BGADHN CC(C)c1csc(CN[C@H](C)C2CC2)n1 ZINC000123455237 385884795 /nfs/dbraw/zinc/88/47/95/385884795.db2.gz LUNFLSYAVHRJFD-SECBINFHSA-N 0 3 224.373 3.155 20 0 BGADHN CN(CCc1ccc(F)cc1)Cc1ccco1 ZINC000123475604 411367981 /nfs/dbraw/zinc/36/79/81/411367981.db2.gz CVLMDTPCMJWMKO-UHFFFAOYSA-N 0 3 233.286 3.093 20 0 BGADHN C[C@@H](c1ccccn1)N1CCC2(CCC2)C1 ZINC000123478415 176027699 /nfs/dbraw/zinc/02/76/99/176027699.db2.gz AXODNNBQILLHGU-LBPRGKRZSA-N 0 3 216.328 3.019 20 0 BGADHN C[C@H](c1ccccn1)N1CCC2(CCC2)C1 ZINC000123478594 177043379 /nfs/dbraw/zinc/04/33/79/177043379.db2.gz AXODNNBQILLHGU-GFCCVEGCSA-N 0 3 216.328 3.019 20 0 BGADHN CC(C)CCN1CCc2sccc2C1 ZINC000123480072 411367698 /nfs/dbraw/zinc/36/76/98/411367698.db2.gz DOZXQGUCFVNORO-UHFFFAOYSA-N 0 3 209.358 3.152 20 0 BGADHN CC(C)C[C@@H]1CCCCN1Cc1ccon1 ZINC000123482052 387701552 /nfs/dbraw/zinc/70/15/52/387701552.db2.gz VJCWXHZFKUCFRX-ZDUSSCGKSA-N 0 3 222.332 3.075 20 0 BGADHN CC(C)C[C@H]1CCCCN1Cc1ccon1 ZINC000123482226 323364741 /nfs/dbraw/zinc/36/47/41/323364741.db2.gz VJCWXHZFKUCFRX-CYBMUJFWSA-N 0 3 222.332 3.075 20 0 BGADHN CCCN(C)Cc1cc(Cl)nc(Cl)c1 ZINC000123523445 589747220 /nfs/dbraw/zinc/74/72/20/589747220.db2.gz ZUNSNONYEUUEFL-UHFFFAOYSA-N 0 3 233.142 3.230 20 0 BGADHN CCOc1ccccc1CN1CCC2(CCC2)C1 ZINC000123531802 387587044 /nfs/dbraw/zinc/58/70/44/387587044.db2.gz LCIKNGIYJLCWEB-UHFFFAOYSA-N 0 3 245.366 3.461 20 0 BGADHN Cc1cc(CN2CCCC[C@@H]2CC(C)C)no1 ZINC000123534688 387586105 /nfs/dbraw/zinc/58/61/05/387586105.db2.gz PZGOKBGBNAQGJD-CQSZACIVSA-N 0 3 236.359 3.384 20 0 BGADHN Cc1cc(CN2CCCC[C@H]2CC(C)C)no1 ZINC000123534896 387586795 /nfs/dbraw/zinc/58/67/95/387586795.db2.gz PZGOKBGBNAQGJD-AWEZNQCLSA-N 0 3 236.359 3.384 20 0 BGADHN Fc1ccccc1CN1CCC2(CCC2)C1 ZINC000123537653 181011504 /nfs/dbraw/zinc/01/15/04/181011504.db2.gz LJATXZWUVSHUDA-UHFFFAOYSA-N 0 3 219.303 3.202 20 0 BGADHN Clc1ccc(CNCC2CCSCC2)o1 ZINC000123551213 385889909 /nfs/dbraw/zinc/88/99/09/385889909.db2.gz RJTGXUMQZUOHQH-UHFFFAOYSA-N 0 3 245.775 3.166 20 0 BGADHN CCn1ccnc1CN1CCCC[C@@H]1CC(C)C ZINC000123560380 172220614 /nfs/dbraw/zinc/22/06/14/172220614.db2.gz JWXUACBLCCJZPB-CQSZACIVSA-N 0 3 249.402 3.304 20 0 BGADHN CCn1ccnc1CN1CCCC[C@H]1CC(C)C ZINC000123560600 172220777 /nfs/dbraw/zinc/22/07/77/172220777.db2.gz JWXUACBLCCJZPB-AWEZNQCLSA-N 0 3 249.402 3.304 20 0 BGADHN C[C@H](NCCCC(F)(F)F)c1ccccn1 ZINC000123571005 384567990 /nfs/dbraw/zinc/56/79/90/384567990.db2.gz FWNVTVKOVHKPLA-VIFPVBQESA-N 0 3 232.249 3.075 20 0 BGADHN C[C@@H](NCCCC(F)(F)F)c1ccccn1 ZINC000123571285 384567637 /nfs/dbraw/zinc/56/76/37/384567637.db2.gz FWNVTVKOVHKPLA-SECBINFHSA-N 0 3 232.249 3.075 20 0 BGADHN C[C@H](NCCCC(F)(F)F)c1nccs1 ZINC000123616563 385896537 /nfs/dbraw/zinc/89/65/37/385896537.db2.gz DKKQHSFIMCQHLI-ZETCQYMHSA-N 0 3 238.278 3.136 20 0 BGADHN CC[C@H](NCc1cn(C)nc1C)c1cccs1 ZINC000123616705 387588917 /nfs/dbraw/zinc/58/89/17/387588917.db2.gz OOTFJSKAZCWOHC-LBPRGKRZSA-N 0 3 249.383 3.031 20 0 BGADHN C[C@@H](NCCCC(F)(F)F)c1nccs1 ZINC000123616789 385897125 /nfs/dbraw/zinc/89/71/25/385897125.db2.gz DKKQHSFIMCQHLI-SSDOTTSWSA-N 0 3 238.278 3.136 20 0 BGADHN CC[C@@H](NCc1cn(C)nc1C)c1cccs1 ZINC000123616950 358506126 /nfs/dbraw/zinc/50/61/26/358506126.db2.gz OOTFJSKAZCWOHC-GFCCVEGCSA-N 0 3 249.383 3.031 20 0 BGADHN Cc1cnc(CN2CCCC[C@@H]2CC(C)C)o1 ZINC000123621614 387588895 /nfs/dbraw/zinc/58/88/95/387588895.db2.gz MDXDUGQLXXNRLQ-CYBMUJFWSA-N 0 3 236.359 3.384 20 0 BGADHN Cc1cnc(CN2CCCC[C@H]2CC(C)C)o1 ZINC000123621824 387588691 /nfs/dbraw/zinc/58/86/91/387588691.db2.gz MDXDUGQLXXNRLQ-ZDUSSCGKSA-N 0 3 236.359 3.384 20 0 BGADHN c1ncc(CN2CCC[C@H]2c2ccccc2)s1 ZINC000123643795 384574047 /nfs/dbraw/zinc/57/40/47/384574047.db2.gz OQRLNCQOYDDJKS-AWEZNQCLSA-N 0 3 244.363 3.480 20 0 BGADHN c1ncc(CN2CCC[C@@H]2c2ccccc2)s1 ZINC000123644001 384574507 /nfs/dbraw/zinc/57/45/07/384574507.db2.gz OQRLNCQOYDDJKS-CQSZACIVSA-N 0 3 244.363 3.480 20 0 BGADHN CC[C@@]1(C)C[C@H]1C(=O)N1CCc2ccsc2C1 ZINC000123654608 171207083 /nfs/dbraw/zinc/20/70/83/171207083.db2.gz QVDXRTQBPNJDIE-FZMZJTMJSA-N 0 3 249.379 3.069 20 0 BGADHN Cn1cccc1CN1CCC[C@@H]1c1ccccc1 ZINC000123676430 398338515 /nfs/dbraw/zinc/33/85/15/398338515.db2.gz UETBMOZCMCHKJR-MRXNPFEDSA-N 0 3 240.350 3.362 20 0 BGADHN Cn1cccc1CN1CCC[C@H]1c1ccccc1 ZINC000123676638 398338531 /nfs/dbraw/zinc/33/85/31/398338531.db2.gz UETBMOZCMCHKJR-INIZCTEOSA-N 0 3 240.350 3.362 20 0 BGADHN Cc1n[nH]cc1CN1CCC[C@@H]1c1ccccc1 ZINC000123679294 398338574 /nfs/dbraw/zinc/33/85/74/398338574.db2.gz NABLKZPQGILBEH-OAHLLOKOSA-N 0 3 241.338 3.055 20 0 BGADHN Cc1n[nH]cc1CN1CCC[C@H]1c1ccccc1 ZINC000123679539 398338520 /nfs/dbraw/zinc/33/85/20/398338520.db2.gz NABLKZPQGILBEH-HNNXBMFYSA-N 0 3 241.338 3.055 20 0 BGADHN Cc1ccc(CCN(C)Cc2ccco2)cc1 ZINC000123693941 188257493 /nfs/dbraw/zinc/25/74/93/188257493.db2.gz BFEFHYIQIMPXEH-UHFFFAOYSA-N 0 3 229.323 3.263 20 0 BGADHN CC(C)CN[C@@H](C)c1cccc(F)c1F ZINC000123780089 187326547 /nfs/dbraw/zinc/32/65/47/187326547.db2.gz YWYNRKGRBNRICN-VIFPVBQESA-N 0 3 213.271 3.271 20 0 BGADHN CC(C)CN[C@H](C)c1cccc(F)c1F ZINC000123780329 167012922 /nfs/dbraw/zinc/01/29/22/167012922.db2.gz YWYNRKGRBNRICN-SECBINFHSA-N 0 3 213.271 3.271 20 0 BGADHN c1ncc(CN(CC2CCCCC2)C2CC2)cn1 ZINC000123797150 490260272 /nfs/dbraw/zinc/26/02/72/490260272.db2.gz YFZDYNAKCMCENV-UHFFFAOYSA-N 0 3 245.370 3.021 20 0 BGADHN Cc1cnc(CNCC2CCCCC2)s1 ZINC000123811977 385912131 /nfs/dbraw/zinc/91/21/31/385912131.db2.gz INTYNHLLNJNIRP-UHFFFAOYSA-N 0 3 224.373 3.121 20 0 BGADHN CCOCCNc1cc(CC)nc2ccccc21 ZINC000123854318 386574586 /nfs/dbraw/zinc/57/45/86/386574586.db2.gz HHUFKIJKIMUQQC-UHFFFAOYSA-N 0 3 244.338 3.246 20 0 BGADHN Cc1cc(CN(C)C2CC2)c2ccccc2n1 ZINC000123884564 384594647 /nfs/dbraw/zinc/59/46/47/384594647.db2.gz ZVYYLPXWYMEJIO-UHFFFAOYSA-N 0 3 226.323 3.137 20 0 BGADHN c1cc2c(o1)CCC[C@H]2NCCCOCC1CC1 ZINC000123915429 183373411 /nfs/dbraw/zinc/37/34/11/183373411.db2.gz NRRGNLDTOFBWMV-CQSZACIVSA-N 0 3 249.354 3.063 20 0 BGADHN CCCOc1ccc(CN2CCCC2)cc1 ZINC000123915515 322998059 /nfs/dbraw/zinc/99/80/59/322998059.db2.gz AUTXBZMWNJNNFN-UHFFFAOYSA-N 0 3 219.328 3.071 20 0 BGADHN c1cc2c(o1)CCC[C@@H]2NCCCOCC1CC1 ZINC000123915634 183371888 /nfs/dbraw/zinc/37/18/88/183371888.db2.gz NRRGNLDTOFBWMV-AWEZNQCLSA-N 0 3 249.354 3.063 20 0 BGADHN COc1cc(CN2CCCC2)ccc1OC(C)C ZINC000123915882 388658768 /nfs/dbraw/zinc/65/87/68/388658768.db2.gz RADUZRJZTXUXQW-UHFFFAOYSA-N 0 3 249.354 3.078 20 0 BGADHN CC(C)OCCCN[C@@H]1CCCc2occc21 ZINC000123917396 167222539 /nfs/dbraw/zinc/22/25/39/167222539.db2.gz XERMOZZCGWGFRB-CYBMUJFWSA-N 0 3 237.343 3.062 20 0 BGADHN CC(C)OCCCN[C@H]1CCCc2occc21 ZINC000123917578 167225692 /nfs/dbraw/zinc/22/56/92/167225692.db2.gz XERMOZZCGWGFRB-ZDUSSCGKSA-N 0 3 237.343 3.062 20 0 BGADHN Fc1cccc(N2CCCC2)c1CN1CCCC1 ZINC000123919524 388659014 /nfs/dbraw/zinc/65/90/14/388659014.db2.gz ABKBSQDGTIQNGV-UHFFFAOYSA-N 0 3 248.345 3.022 20 0 BGADHN CCCOc1cc(CN2CCCC2)ccc1OC ZINC000123921688 388658739 /nfs/dbraw/zinc/65/87/39/388658739.db2.gz XBOKKLPLCTUQFX-UHFFFAOYSA-N 0 3 249.354 3.080 20 0 BGADHN COc1cccc(CN2CCCC2)c1OC(C)C ZINC000123922308 388659461 /nfs/dbraw/zinc/65/94/61/388659461.db2.gz PBJCCYDGDJYGBR-UHFFFAOYSA-N 0 3 249.354 3.078 20 0 BGADHN c1c2ccccc2oc1CN1CCCC1 ZINC000123930892 384597802 /nfs/dbraw/zinc/59/78/02/384597802.db2.gz AQQVMHKHJLYZHY-UHFFFAOYSA-N 0 3 201.269 3.029 20 0 BGADHN c1coc(CCN[C@@H]2CCCc3occc32)c1 ZINC000123934015 387600721 /nfs/dbraw/zinc/60/07/21/387600721.db2.gz XVJPBPOERUZVSI-CYBMUJFWSA-N 0 3 231.295 3.082 20 0 BGADHN c1coc(CCN[C@H]2CCCc3occc32)c1 ZINC000123934213 387599795 /nfs/dbraw/zinc/59/97/95/387599795.db2.gz XVJPBPOERUZVSI-ZDUSSCGKSA-N 0 3 231.295 3.082 20 0 BGADHN CCc1cnc(CNCC2CCCCC2)s1 ZINC000123935713 358510451 /nfs/dbraw/zinc/51/04/51/358510451.db2.gz NFBOBNIQOLLSGQ-UHFFFAOYSA-N 0 3 238.400 3.375 20 0 BGADHN CCc1cnc(CNCC(CC)CC)s1 ZINC000123937819 350675624 /nfs/dbraw/zinc/67/56/24/350675624.db2.gz KXFMFWCAHOJLJN-UHFFFAOYSA-N 0 3 226.389 3.231 20 0 BGADHN CCc1cnc(CNC[C@H]2CC=CCC2)s1 ZINC000123937986 358509949 /nfs/dbraw/zinc/50/99/49/358509949.db2.gz IDOAMNNHOOFDNO-NSHDSACASA-N 0 3 236.384 3.151 20 0 BGADHN CCc1cnc(CNC[C@@H]2CC=CCC2)s1 ZINC000123938213 358509739 /nfs/dbraw/zinc/50/97/39/358509739.db2.gz IDOAMNNHOOFDNO-LLVKDONJSA-N 0 3 236.384 3.151 20 0 BGADHN CN(CCCc1ccccc1)Cc1cccn1C ZINC000123943655 387600803 /nfs/dbraw/zinc/60/08/03/387600803.db2.gz HSGSHFRZBZJCRI-UHFFFAOYSA-N 0 3 242.366 3.090 20 0 BGADHN Cc1nc(CCN2CCCC(C)(C)C2)cs1 ZINC000123972237 387601487 /nfs/dbraw/zinc/60/14/87/387601487.db2.gz JFPOITKATYJZHV-UHFFFAOYSA-N 0 3 238.400 3.116 20 0 BGADHN CCN(C)Cc1csc2ccccc12 ZINC000123975119 387600499 /nfs/dbraw/zinc/60/04/99/387600499.db2.gz PAEGNHSKCHQNGZ-UHFFFAOYSA-N 0 3 205.326 3.353 20 0 BGADHN C[C@H](NCCC(C)(C)C)C(=O)Nc1ccccc1 ZINC000123981876 386593280 /nfs/dbraw/zinc/59/32/80/386593280.db2.gz YLTSMXHIMZYFGI-LBPRGKRZSA-N 0 3 248.370 3.039 20 0 BGADHN C[C@@H](NCCC(C)(C)C)C(=O)Nc1ccccc1 ZINC000123982113 386593244 /nfs/dbraw/zinc/59/32/44/386593244.db2.gz YLTSMXHIMZYFGI-GFCCVEGCSA-N 0 3 248.370 3.039 20 0 BGADHN CCCCOCCN[C@@H]1CCCc2occc21 ZINC000123995278 345025632 /nfs/dbraw/zinc/02/56/32/345025632.db2.gz XLLOUAMSLJEUSW-CYBMUJFWSA-N 0 3 237.343 3.063 20 0 BGADHN CCCCOCCN[C@H]1CCCc2occc21 ZINC000123995466 345025606 /nfs/dbraw/zinc/02/56/06/345025606.db2.gz XLLOUAMSLJEUSW-ZDUSSCGKSA-N 0 3 237.343 3.063 20 0 BGADHN Cc1cnc([C@@H](C)NCCc2ccccc2)s1 ZINC000123995537 384599960 /nfs/dbraw/zinc/59/99/60/384599960.db2.gz FILMIWFUHVRRNP-GFCCVEGCSA-N 0 3 246.379 3.345 20 0 BGADHN Cc1cnc([C@H](C)NCCc2ccccc2)s1 ZINC000123995780 179653739 /nfs/dbraw/zinc/65/37/39/179653739.db2.gz FILMIWFUHVRRNP-LBPRGKRZSA-N 0 3 246.379 3.345 20 0 BGADHN COc1cccc(CNCCC(C)(C)C)c1F ZINC000123998897 490270880 /nfs/dbraw/zinc/27/08/80/490270880.db2.gz DYHUAMNIIYBYHN-UHFFFAOYSA-N 0 3 239.334 3.360 20 0 BGADHN COCC(C)(C)NCc1ccc(C(F)F)cc1 ZINC000124028197 388660423 /nfs/dbraw/zinc/66/04/23/388660423.db2.gz PASPAQAMBXYJLD-UHFFFAOYSA-N 0 3 243.297 3.139 20 0 BGADHN c1cc2c(o1)CCC[C@H]2NCCOC1CCCC1 ZINC000124041347 183372875 /nfs/dbraw/zinc/37/28/75/183372875.db2.gz UTCMYTAUPQKZRE-CQSZACIVSA-N 0 3 249.354 3.206 20 0 BGADHN c1cc2c(o1)CCC[C@@H]2NCCOC1CCCC1 ZINC000124041585 183371421 /nfs/dbraw/zinc/37/14/21/183371421.db2.gz UTCMYTAUPQKZRE-AWEZNQCLSA-N 0 3 249.354 3.206 20 0 BGADHN Cc1cc(C)cc(CCNCc2ccco2)c1 ZINC000124051104 387603558 /nfs/dbraw/zinc/60/35/58/387603558.db2.gz RRNHNFJQJJRCCD-UHFFFAOYSA-N 0 3 229.323 3.229 20 0 BGADHN CCC(CC)CNCc1nc(C)c(C)s1 ZINC000124095926 168363561 /nfs/dbraw/zinc/36/35/61/168363561.db2.gz LRUDATCBCXPMSL-UHFFFAOYSA-N 0 3 226.389 3.286 20 0 BGADHN CCOCCN(C)[C@@H](C)c1ccccc1C ZINC000124097666 170392103 /nfs/dbraw/zinc/39/21/03/170392103.db2.gz MKPMGEYKJVYNON-ZDUSSCGKSA-N 0 3 221.344 3.024 20 0 BGADHN CCOCCN(C)[C@H](C)c1ccccc1C ZINC000124097888 170391764 /nfs/dbraw/zinc/39/17/64/170391764.db2.gz MKPMGEYKJVYNON-CYBMUJFWSA-N 0 3 221.344 3.024 20 0 BGADHN COC[C@@H](NC[C@H]1CC=CCC1)c1ccc(C)o1 ZINC000124196873 384623357 /nfs/dbraw/zinc/62/33/57/384623357.db2.gz HRCIQRZXTVSBMH-UONOGXRCSA-N 0 3 249.354 3.221 20 0 BGADHN COC[C@H](NC[C@H]1CC=CCC1)c1ccc(C)o1 ZINC000124197099 384622783 /nfs/dbraw/zinc/62/27/83/384622783.db2.gz HRCIQRZXTVSBMH-KBPBESRZSA-N 0 3 249.354 3.221 20 0 BGADHN COC[C@@H](NC[C@@H]1CC=CCC1)c1ccc(C)o1 ZINC000124197325 384623675 /nfs/dbraw/zinc/62/36/75/384623675.db2.gz HRCIQRZXTVSBMH-ZIAGYGMSSA-N 0 3 249.354 3.221 20 0 BGADHN COC[C@H](NC[C@@H]1CC=CCC1)c1ccc(C)o1 ZINC000124197549 384624004 /nfs/dbraw/zinc/62/40/04/384624004.db2.gz HRCIQRZXTVSBMH-KGLIPLIRSA-N 0 3 249.354 3.221 20 0 BGADHN COC[C@H](NCC1CCCCC1)c1ccco1 ZINC000124199115 384620843 /nfs/dbraw/zinc/62/08/43/384620843.db2.gz QFPLJYOVAFLFSV-ZDUSSCGKSA-N 0 3 237.343 3.137 20 0 BGADHN COC[C@@H](NCC1CCCCC1)c1ccco1 ZINC000124199325 384620969 /nfs/dbraw/zinc/62/09/69/384620969.db2.gz QFPLJYOVAFLFSV-CYBMUJFWSA-N 0 3 237.343 3.137 20 0 BGADHN CCC[C@@H](C)NCc1cc(F)c(F)cc1F ZINC000124210785 491124908 /nfs/dbraw/zinc/12/49/08/491124908.db2.gz DTCPFEBCHQPIHX-MRVPVSSYSA-N 0 3 231.261 3.382 20 0 BGADHN CCC[C@H](C)NCc1cc(F)c(F)cc1F ZINC000124210984 490490313 /nfs/dbraw/zinc/49/03/13/490490313.db2.gz DTCPFEBCHQPIHX-QMMMGPOBSA-N 0 3 231.261 3.382 20 0 BGADHN CCC(CC)NCc1cc(F)c(F)cc1F ZINC000124213705 342837362 /nfs/dbraw/zinc/83/73/62/342837362.db2.gz JFKQHIKPIIPKMS-UHFFFAOYSA-N 0 3 231.261 3.382 20 0 BGADHN c1ncc(CNCCCC2CCCC2)s1 ZINC000124221513 183545280 /nfs/dbraw/zinc/54/52/80/183545280.db2.gz YZFSNEUEBZAXPO-UHFFFAOYSA-N 0 3 224.373 3.203 20 0 BGADHN CCC(C)(C)NCc1cc(F)c(F)cc1F ZINC000124245150 388661529 /nfs/dbraw/zinc/66/15/29/388661529.db2.gz FDOGCQUCNWKJEK-UHFFFAOYSA-N 0 3 231.261 3.382 20 0 BGADHN CC(C)c1ncc(CN2CCC[C@H]2C)s1 ZINC000124294109 387610035 /nfs/dbraw/zinc/61/00/35/387610035.db2.gz GHIKODMEARLBKY-SNVBAGLBSA-N 0 3 224.373 3.251 20 0 BGADHN CC(C)c1ncc(CN2CCC[C@@H]2C)s1 ZINC000124294347 387611613 /nfs/dbraw/zinc/61/16/13/387611613.db2.gz GHIKODMEARLBKY-JTQLQIEISA-N 0 3 224.373 3.251 20 0 BGADHN C[C@@H]1CCCN1Cc1c[nH]nc1-c1cccs1 ZINC000124318858 176108577 /nfs/dbraw/zinc/10/85/77/176108577.db2.gz PCMXABALJWHTOS-SNVBAGLBSA-N 0 3 247.367 3.123 20 0 BGADHN C[C@H]1CCCN1Cc1c[nH]nc1-c1cccs1 ZINC000124319035 177110553 /nfs/dbraw/zinc/11/05/53/177110553.db2.gz PCMXABALJWHTOS-JTQLQIEISA-N 0 3 247.367 3.123 20 0 BGADHN CC(C)c1nc([C@@H](C)NCC2CC2)cs1 ZINC000124319198 386024231 /nfs/dbraw/zinc/02/42/31/386024231.db2.gz XLRQBIBSZRJDGO-SECBINFHSA-N 0 3 224.373 3.327 20 0 BGADHN CC(C)c1nc([C@H](C)NCC2CC2)cs1 ZINC000124319406 386024671 /nfs/dbraw/zinc/02/46/71/386024671.db2.gz XLRQBIBSZRJDGO-VIFPVBQESA-N 0 3 224.373 3.327 20 0 BGADHN CCOc1cc(CN2CCC[C@@H]2C)ccc1OC ZINC000124332137 384634237 /nfs/dbraw/zinc/63/42/37/384634237.db2.gz XZDMXICPEJCXIM-LBPRGKRZSA-N 0 3 249.354 3.078 20 0 BGADHN CCOc1cc(CN2CCC[C@H]2C)ccc1OC ZINC000124332383 384632927 /nfs/dbraw/zinc/63/29/27/384632927.db2.gz XZDMXICPEJCXIM-GFCCVEGCSA-N 0 3 249.354 3.078 20 0 BGADHN Cc1cc(CN2CCC[C@@H]2C)ccc1F ZINC000124335283 387612985 /nfs/dbraw/zinc/61/29/85/387612985.db2.gz ZKCIEXKPSWHGFQ-NSHDSACASA-N 0 3 207.292 3.118 20 0 BGADHN Cc1cc(CN2CCC[C@H]2C)ccc1F ZINC000124335503 387612544 /nfs/dbraw/zinc/61/25/44/387612544.db2.gz ZKCIEXKPSWHGFQ-LLVKDONJSA-N 0 3 207.292 3.118 20 0 BGADHN CCC(CC)(CNCc1cncs1)SC ZINC000124340403 168325236 /nfs/dbraw/zinc/32/52/36/168325236.db2.gz XAXAGEVFVHTQHI-UHFFFAOYSA-N 0 3 244.429 3.155 20 0 BGADHN COc1ccccc1/C=C/CN1CCC[C@H]1C ZINC000124347814 175314227 /nfs/dbraw/zinc/31/42/27/175314227.db2.gz VPYDZSXLBNUHKE-YSKGHYERSA-N 0 3 231.339 3.193 20 0 BGADHN COc1ccccc1/C=C/CN1CCC[C@@H]1C ZINC000124348022 175313628 /nfs/dbraw/zinc/31/36/28/175313628.db2.gz VPYDZSXLBNUHKE-PPGNKHEKSA-N 0 3 231.339 3.193 20 0 BGADHN C[C@@H](CC(F)(F)F)NCc1cccc(F)c1 ZINC000124356785 387613998 /nfs/dbraw/zinc/61/39/98/387613998.db2.gz CZVRGKXWXCWDRZ-QMMMGPOBSA-N 0 3 235.224 3.256 20 0 BGADHN C[C@H](CC(F)(F)F)NCc1cccc(F)c1 ZINC000124356999 387613684 /nfs/dbraw/zinc/61/36/84/387613684.db2.gz CZVRGKXWXCWDRZ-MRVPVSSYSA-N 0 3 235.224 3.256 20 0 BGADHN C[C@@H]1CCCN1Cc1cnc(C(C)(C)C)s1 ZINC000124371936 176110493 /nfs/dbraw/zinc/11/04/93/176110493.db2.gz RRASWTYSZVDYCE-SNVBAGLBSA-N 0 3 238.400 3.425 20 0 BGADHN C[C@H]1CCCN1Cc1cnc(C(C)(C)C)s1 ZINC000124372160 177110615 /nfs/dbraw/zinc/11/06/15/177110615.db2.gz RRASWTYSZVDYCE-JTQLQIEISA-N 0 3 238.400 3.425 20 0 BGADHN Cc1ccc([C@@H](C)NCCOC(C)(C)C)cc1 ZINC000124381671 324615419 /nfs/dbraw/zinc/61/54/19/324615419.db2.gz CJTRAZXKQGZXTL-CYBMUJFWSA-N 0 3 235.371 3.461 20 0 BGADHN Cc1ccc([C@H](C)NCCOC(C)(C)C)cc1 ZINC000124381862 388662041 /nfs/dbraw/zinc/66/20/41/388662041.db2.gz CJTRAZXKQGZXTL-ZDUSSCGKSA-N 0 3 235.371 3.461 20 0 BGADHN Cc1cnc([C@@H](C)NC[C@H]2CC=CCC2)s1 ZINC000124387552 384636943 /nfs/dbraw/zinc/63/69/43/384636943.db2.gz ICSQBVXOCLNBCT-NEPJUHHUSA-N 0 3 236.384 3.458 20 0 BGADHN Cc1cnc([C@H](C)NC[C@H]2CC=CCC2)s1 ZINC000124387783 384636840 /nfs/dbraw/zinc/63/68/40/384636840.db2.gz ICSQBVXOCLNBCT-RYUDHWBXSA-N 0 3 236.384 3.458 20 0 BGADHN Cc1cnc([C@@H](C)NC[C@@H]2CC=CCC2)s1 ZINC000124387977 179647841 /nfs/dbraw/zinc/64/78/41/179647841.db2.gz ICSQBVXOCLNBCT-VXGBXAGGSA-N 0 3 236.384 3.458 20 0 BGADHN Cc1cnc([C@H](C)NC[C@@H]2CC=CCC2)s1 ZINC000124388209 384638821 /nfs/dbraw/zinc/63/88/21/384638821.db2.gz ICSQBVXOCLNBCT-NWDGAFQWSA-N 0 3 236.384 3.458 20 0 BGADHN C[C@@H]1CCCN1Cc1cnc(C2CC2)s1 ZINC000124391249 343556123 /nfs/dbraw/zinc/55/61/23/343556123.db2.gz YKNSXHIWTFEXLK-SECBINFHSA-N 0 3 222.357 3.005 20 0 BGADHN C[C@H]1CCCN1Cc1cnc(C2CC2)s1 ZINC000124391447 343556111 /nfs/dbraw/zinc/55/61/11/343556111.db2.gz YKNSXHIWTFEXLK-VIFPVBQESA-N 0 3 222.357 3.005 20 0 BGADHN C[C@@H]1CCCN1Cc1cnc(C2CCC2)s1 ZINC000124391714 176110135 /nfs/dbraw/zinc/11/01/35/176110135.db2.gz PIYBLXPGGKVINQ-SNVBAGLBSA-N 0 3 236.384 3.395 20 0 BGADHN C[C@H]1CCCN1Cc1cnc(C2CCC2)s1 ZINC000124391901 177110956 /nfs/dbraw/zinc/11/09/56/177110956.db2.gz PIYBLXPGGKVINQ-JTQLQIEISA-N 0 3 236.384 3.395 20 0 BGADHN CCOc1ccc(CN2CCC[C@@H]2C)cc1OC ZINC000124395158 387614993 /nfs/dbraw/zinc/61/49/93/387614993.db2.gz RPJZAGXQBAMUBK-LBPRGKRZSA-N 0 3 249.354 3.078 20 0 BGADHN CCOc1ccc(CN2CCC[C@H]2C)cc1OC ZINC000124395388 387615374 /nfs/dbraw/zinc/61/53/74/387615374.db2.gz RPJZAGXQBAMUBK-GFCCVEGCSA-N 0 3 249.354 3.078 20 0 BGADHN COc1ccc2oc(CN3CCC[C@H]3C)cc2c1 ZINC000124406795 175230682 /nfs/dbraw/zinc/23/06/82/175230682.db2.gz AUDFEWCATACZPJ-LLVKDONJSA-N 0 3 245.322 3.426 20 0 BGADHN COc1ccc2oc(CN3CCC[C@@H]3C)cc2c1 ZINC000124407027 175230711 /nfs/dbraw/zinc/23/07/11/175230711.db2.gz AUDFEWCATACZPJ-NSHDSACASA-N 0 3 245.322 3.426 20 0 BGADHN C[C@@H]1CCCN1Cc1cc(-c2ccccc2)n[nH]1 ZINC000124408314 176108037 /nfs/dbraw/zinc/10/80/37/176108037.db2.gz AIGFDARIAJQEPJ-GFCCVEGCSA-N 0 3 241.338 3.061 20 0 BGADHN C[C@H]1CCCN1Cc1cc(-c2ccccc2)n[nH]1 ZINC000124408511 177110168 /nfs/dbraw/zinc/11/01/68/177110168.db2.gz AIGFDARIAJQEPJ-LBPRGKRZSA-N 0 3 241.338 3.061 20 0 BGADHN CC(C)Cc1ncc(CN2CCC[C@H]2C)s1 ZINC000124408818 188084008 /nfs/dbraw/zinc/08/40/08/188084008.db2.gz MAXHLTZGMHFKAB-LLVKDONJSA-N 0 3 238.400 3.326 20 0 BGADHN CC(C)Cc1ncc(CN2CCC[C@@H]2C)s1 ZINC000124409035 387615942 /nfs/dbraw/zinc/61/59/42/387615942.db2.gz MAXHLTZGMHFKAB-NSHDSACASA-N 0 3 238.400 3.326 20 0 BGADHN COc1cccc(Cl)c1CNC[C@H]1C[C@H]1C ZINC000124421086 322899708 /nfs/dbraw/zinc/89/97/08/322899708.db2.gz WHRUGSPJSSHPKS-NXEZZACHSA-N 0 3 239.746 3.094 20 0 BGADHN COc1cccc(Cl)c1CNC[C@H]1C[C@@H]1C ZINC000124421273 324616583 /nfs/dbraw/zinc/61/65/83/324616583.db2.gz WHRUGSPJSSHPKS-VHSXEESVSA-N 0 3 239.746 3.094 20 0 BGADHN COc1cccc(Cl)c1CNC[C@@H]1C[C@H]1C ZINC000124421554 388662549 /nfs/dbraw/zinc/66/25/49/388662549.db2.gz WHRUGSPJSSHPKS-ZJUUUORDSA-N 0 3 239.746 3.094 20 0 BGADHN COc1cccc(Cl)c1CNC[C@@H]1C[C@@H]1C ZINC000124421768 388662193 /nfs/dbraw/zinc/66/21/93/388662193.db2.gz WHRUGSPJSSHPKS-UWVGGRQHSA-N 0 3 239.746 3.094 20 0 BGADHN CCCN(Cc1cncnc1)CC1CCCCC1 ZINC000124486529 538037707 /nfs/dbraw/zinc/03/77/07/538037707.db2.gz XSOBQIXUQVRUKL-UHFFFAOYSA-N 0 3 247.386 3.269 20 0 BGADHN Cc1cccn2cc(CN[C@@H](C)CC(C)C)nc12 ZINC000124558714 179356386 /nfs/dbraw/zinc/35/63/86/179356386.db2.gz ZPWLKXASHHLSCD-ZDUSSCGKSA-N 0 3 245.370 3.167 20 0 BGADHN Cc1cccn2cc(CN[C@H](C)CC(C)C)nc12 ZINC000124558917 179355818 /nfs/dbraw/zinc/35/58/18/179355818.db2.gz ZPWLKXASHHLSCD-CYBMUJFWSA-N 0 3 245.370 3.167 20 0 BGADHN CC[C@@H]1CC[C@H](C)N1Cc1ccnc(Cl)c1 ZINC000124577261 171053412 /nfs/dbraw/zinc/05/34/12/171053412.db2.gz DOGWVWBKNHYJCG-CMPLNLGQSA-N 0 3 238.762 3.498 20 0 BGADHN CC[C@H]1CC[C@H](C)N1Cc1ccnc(Cl)c1 ZINC000124577532 386101869 /nfs/dbraw/zinc/10/18/69/386101869.db2.gz DOGWVWBKNHYJCG-JQWIXIFHSA-N 0 3 238.762 3.498 20 0 BGADHN CC[C@@H]1CC[C@@H](C)N1Cc1ccnc(Cl)c1 ZINC000124577811 171039101 /nfs/dbraw/zinc/03/91/01/171039101.db2.gz DOGWVWBKNHYJCG-ZYHUDNBSSA-N 0 3 238.762 3.498 20 0 BGADHN CC[C@H]1CC[C@@H](C)N1Cc1ccnc(Cl)c1 ZINC000124578063 386094180 /nfs/dbraw/zinc/09/41/80/386094180.db2.gz DOGWVWBKNHYJCG-PWSUYJOCSA-N 0 3 238.762 3.498 20 0 BGADHN CCc1noc(CC)c1CNC[C@H]1CC=CCC1 ZINC000124578966 172083941 /nfs/dbraw/zinc/08/39/41/172083941.db2.gz DYYBIHVXLTYGOP-LBPRGKRZSA-N 0 3 248.370 3.245 20 0 BGADHN CCc1noc(CC)c1CNC[C@@H]1CC=CCC1 ZINC000124579182 172083261 /nfs/dbraw/zinc/08/32/61/172083261.db2.gz DYYBIHVXLTYGOP-GFCCVEGCSA-N 0 3 248.370 3.245 20 0 BGADHN CSCCNCc1ccc(C(F)F)cc1 ZINC000124595997 488160854 /nfs/dbraw/zinc/16/08/54/488160854.db2.gz FQGBRIHAYHDODO-UHFFFAOYSA-N 0 3 231.311 3.077 20 0 BGADHN Cn1ccc(CNC2(c3ccccc3)CCC2)c1 ZINC000124611024 384660235 /nfs/dbraw/zinc/66/02/35/384660235.db2.gz IRDREGYDUDRMEK-UHFFFAOYSA-N 0 3 240.350 3.194 20 0 BGADHN CC[C@@H]1CC[C@H](C)N1Cc1cccc(Cl)n1 ZINC000124618654 171053198 /nfs/dbraw/zinc/05/31/98/171053198.db2.gz YTKBJACTAVBJOB-CMPLNLGQSA-N 0 3 238.762 3.498 20 0 BGADHN CC[C@H]1CC[C@H](C)N1Cc1cccc(Cl)n1 ZINC000124618835 386122221 /nfs/dbraw/zinc/12/22/21/386122221.db2.gz YTKBJACTAVBJOB-JQWIXIFHSA-N 0 3 238.762 3.498 20 0 BGADHN CC[C@@H]1CC[C@@H](C)N1Cc1cccc(Cl)n1 ZINC000124619051 171038030 /nfs/dbraw/zinc/03/80/30/171038030.db2.gz YTKBJACTAVBJOB-ZYHUDNBSSA-N 0 3 238.762 3.498 20 0 BGADHN CC[C@H]1CC[C@@H](C)N1Cc1cccc(Cl)n1 ZINC000124619277 386121612 /nfs/dbraw/zinc/12/16/12/386121612.db2.gz YTKBJACTAVBJOB-PWSUYJOCSA-N 0 3 238.762 3.498 20 0 BGADHN CC[C@@H]1CC[C@H](C)N1Cc1cccnc1Cl ZINC000124622168 590067646 /nfs/dbraw/zinc/06/76/46/590067646.db2.gz OKNYGAYIZIOLFK-CMPLNLGQSA-N 0 3 238.762 3.498 20 0 BGADHN CC[C@H]1CC[C@H](C)N1Cc1cccnc1Cl ZINC000124622419 590067467 /nfs/dbraw/zinc/06/74/67/590067467.db2.gz OKNYGAYIZIOLFK-JQWIXIFHSA-N 0 3 238.762 3.498 20 0 BGADHN CC[C@@H]1CC[C@@H](C)N1Cc1cccnc1Cl ZINC000124622685 590067046 /nfs/dbraw/zinc/06/70/46/590067046.db2.gz OKNYGAYIZIOLFK-ZYHUDNBSSA-N 0 3 238.762 3.498 20 0 BGADHN CC[C@H]1CC[C@@H](C)N1Cc1cccnc1Cl ZINC000124622864 590067013 /nfs/dbraw/zinc/06/70/13/590067013.db2.gz OKNYGAYIZIOLFK-PWSUYJOCSA-N 0 3 238.762 3.498 20 0 BGADHN CC[C@@H]1CC[C@H](C)N1Cc1ccc(Cl)nc1 ZINC000124636996 171053783 /nfs/dbraw/zinc/05/37/83/171053783.db2.gz PQAWKHKSSKLLHX-CMPLNLGQSA-N 0 3 238.762 3.498 20 0 BGADHN CC[C@H]1CC[C@H](C)N1Cc1ccc(Cl)nc1 ZINC000124637199 386117838 /nfs/dbraw/zinc/11/78/38/386117838.db2.gz PQAWKHKSSKLLHX-JQWIXIFHSA-N 0 3 238.762 3.498 20 0 BGADHN CC[C@@H]1CC[C@@H](C)N1Cc1ccc(Cl)nc1 ZINC000124637430 171038940 /nfs/dbraw/zinc/03/89/40/171038940.db2.gz PQAWKHKSSKLLHX-ZYHUDNBSSA-N 0 3 238.762 3.498 20 0 BGADHN CC[C@H]1CC[C@@H](C)N1Cc1ccc(Cl)nc1 ZINC000124637719 386117243 /nfs/dbraw/zinc/11/72/43/386117243.db2.gz PQAWKHKSSKLLHX-PWSUYJOCSA-N 0 3 238.762 3.498 20 0 BGADHN CC[C@H](NCC1=CCCOC1)c1cccs1 ZINC000124659463 384666808 /nfs/dbraw/zinc/66/68/08/384666808.db2.gz DYEXXISIKFRZBW-LBPRGKRZSA-N 0 3 237.368 3.136 20 0 BGADHN CC[C@@H](NCC1=CCCOC1)c1cccs1 ZINC000124659670 388664435 /nfs/dbraw/zinc/66/44/35/388664435.db2.gz DYEXXISIKFRZBW-GFCCVEGCSA-N 0 3 237.368 3.136 20 0 BGADHN Cc1ccc([C@@H](C)NCC2=CCCOC2)s1 ZINC000124663931 187232566 /nfs/dbraw/zinc/23/25/66/187232566.db2.gz JWHXRBWGDMEPAC-LLVKDONJSA-N 0 3 237.368 3.054 20 0 BGADHN Cc1ccc([C@H](C)NCC2=CCCOC2)s1 ZINC000124664111 387626775 /nfs/dbraw/zinc/62/67/75/387626775.db2.gz JWHXRBWGDMEPAC-NSHDSACASA-N 0 3 237.368 3.054 20 0 BGADHN C[C@H](NC1CCC(C)(C)CC1)c1ncc[nH]1 ZINC000124670911 490392382 /nfs/dbraw/zinc/39/23/82/490392382.db2.gz JQAOWWDMEAREKG-JTQLQIEISA-N 0 3 221.348 3.029 20 0 BGADHN C[C@@H](NC1CCC(C)(C)CC1)c1ncc[nH]1 ZINC000124671080 490392826 /nfs/dbraw/zinc/39/28/26/490392826.db2.gz JQAOWWDMEAREKG-SNVBAGLBSA-N 0 3 221.348 3.029 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1N[C@@H](C)c1ncc[nH]1 ZINC000124686218 490397195 /nfs/dbraw/zinc/39/71/95/490397195.db2.gz JCDJFXZPBIWXAM-TUAOUCFPSA-N 0 3 221.348 3.029 20 0 BGADHN CC[C@@H]1CCCC[C@H]1N[C@@H](C)c1ncc[nH]1 ZINC000124686548 490397325 /nfs/dbraw/zinc/39/73/25/490397325.db2.gz JCDJFXZPBIWXAM-QJPTWQEYSA-N 0 3 221.348 3.029 20 0 BGADHN C[C@H](N[C@@H](C)C1CCCCC1)c1ncc[nH]1 ZINC000124687091 490397282 /nfs/dbraw/zinc/39/72/82/490397282.db2.gz KDIBBDFDAWURRH-QWRGUYRKSA-N 0 3 221.348 3.029 20 0 BGADHN C[C@@H](N[C@@H](C)C1CCCCC1)c1ncc[nH]1 ZINC000124687309 176916112 /nfs/dbraw/zinc/91/61/12/176916112.db2.gz KDIBBDFDAWURRH-WDEREUQCSA-N 0 3 221.348 3.029 20 0 BGADHN C[C@@H](N[C@@H](C)c1ncc[nH]1)C1CCCCC1 ZINC000124687502 490397781 /nfs/dbraw/zinc/39/77/81/490397781.db2.gz KDIBBDFDAWURRH-MNOVXSKESA-N 0 3 221.348 3.029 20 0 BGADHN C[C@@H](N[C@H](C)C1CCCCC1)c1ncc[nH]1 ZINC000124687744 490397811 /nfs/dbraw/zinc/39/78/11/490397811.db2.gz KDIBBDFDAWURRH-GHMZBOCLSA-N 0 3 221.348 3.029 20 0 BGADHN c1coc(CN[C@@H](Cc2ccccc2)C2CC2)c1 ZINC000124690342 387628761 /nfs/dbraw/zinc/62/87/61/387628761.db2.gz MVDZGWUTVPVTLX-INIZCTEOSA-N 0 3 241.334 3.391 20 0 BGADHN c1coc(CN[C@H](Cc2ccccc2)C2CC2)c1 ZINC000124690527 387629681 /nfs/dbraw/zinc/62/96/81/387629681.db2.gz MVDZGWUTVPVTLX-MRXNPFEDSA-N 0 3 241.334 3.391 20 0 BGADHN CCN(C)Cc1ccccc1C(F)(F)F ZINC000124699577 387628954 /nfs/dbraw/zinc/62/89/54/387628954.db2.gz COOKBRUPUYPGKB-UHFFFAOYSA-N 0 3 217.234 3.157 20 0 BGADHN c1cncc(CN(CC2CCCC2)C2CC2)c1 ZINC000124725347 398338984 /nfs/dbraw/zinc/33/89/84/398338984.db2.gz HMHUHXWEMMKMDG-UHFFFAOYSA-N 0 3 230.355 3.236 20 0 BGADHN C[C@H](NCC1CCCCCC1)c1ncc[nH]1 ZINC000124725738 411316997 /nfs/dbraw/zinc/31/69/97/411316997.db2.gz BRISHGONJDSNKQ-NSHDSACASA-N 0 3 221.348 3.031 20 0 BGADHN C[C@@H](NCC1CCCCCC1)c1ncc[nH]1 ZINC000124725949 411316986 /nfs/dbraw/zinc/31/69/86/411316986.db2.gz BRISHGONJDSNKQ-LLVKDONJSA-N 0 3 221.348 3.031 20 0 BGADHN CC[C@@H]1CCC[C@H](N[C@@H](C)c2ncc[nH]2)C1 ZINC000124726148 490400739 /nfs/dbraw/zinc/40/07/39/490400739.db2.gz LQFYXWPZVULSKW-TUAOUCFPSA-N 0 3 221.348 3.029 20 0 BGADHN CC[C@@H]1CCC[C@@H](N[C@@H](C)c2ncc[nH]2)C1 ZINC000124726586 490400725 /nfs/dbraw/zinc/40/07/25/490400725.db2.gz LQFYXWPZVULSKW-QJPTWQEYSA-N 0 3 221.348 3.029 20 0 BGADHN C[C@H](N[C@H]1CCC[C@@H](C)CC1)c1ncc[nH]1 ZINC000124727006 490400707 /nfs/dbraw/zinc/40/07/07/490400707.db2.gz WRDKJXSUEZYYKQ-WOPDTQHZSA-N 0 3 221.348 3.029 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@@H](C)CC1)c1ncc[nH]1 ZINC000124727432 490400836 /nfs/dbraw/zinc/40/08/36/490400836.db2.gz WRDKJXSUEZYYKQ-GRYCIOLGSA-N 0 3 221.348 3.029 20 0 BGADHN C[C@H](NC1CCCCCCC1)c1ncc[nH]1 ZINC000124736247 590080207 /nfs/dbraw/zinc/08/02/07/590080207.db2.gz HTWFKTDJXYKXSQ-NSHDSACASA-N 0 3 221.348 3.173 20 0 BGADHN CSC[C@H](C)Nc1ccnc2ccccc21 ZINC000124736386 398339044 /nfs/dbraw/zinc/33/90/44/398339044.db2.gz CLMGJZNBLZMFJF-JTQLQIEISA-N 0 3 232.352 3.398 20 0 BGADHN C[C@@H](NC1CCCCCCC1)c1ncc[nH]1 ZINC000124736445 590080099 /nfs/dbraw/zinc/08/00/99/590080099.db2.gz HTWFKTDJXYKXSQ-LLVKDONJSA-N 0 3 221.348 3.173 20 0 BGADHN CSC[C@@H](C)Nc1ccnc2ccccc21 ZINC000124736633 384673497 /nfs/dbraw/zinc/67/34/97/384673497.db2.gz CLMGJZNBLZMFJF-SNVBAGLBSA-N 0 3 232.352 3.398 20 0 BGADHN CC(=O)CCN1CCC(CCC(C)C)CC1 ZINC000124748018 590080280 /nfs/dbraw/zinc/08/02/80/590080280.db2.gz KYSSNDPGTLYEAC-UHFFFAOYSA-N 0 3 225.376 3.114 20 0 BGADHN CCCCCC[C@@H](C)N[C@@H](C)c1ncc[nH]1 ZINC000124760331 590081394 /nfs/dbraw/zinc/08/13/94/590081394.db2.gz JETHETMQSGUGTE-NEPJUHHUSA-N 0 3 223.364 3.419 20 0 BGADHN CCCCCC[C@H](C)N[C@@H](C)c1ncc[nH]1 ZINC000124760529 590078713 /nfs/dbraw/zinc/07/87/13/590078713.db2.gz JETHETMQSGUGTE-RYUDHWBXSA-N 0 3 223.364 3.419 20 0 BGADHN CCCCCC[C@@H](C)N[C@H](C)c1ncc[nH]1 ZINC000124760709 590084264 /nfs/dbraw/zinc/08/42/64/590084264.db2.gz JETHETMQSGUGTE-VXGBXAGGSA-N 0 3 223.364 3.419 20 0 BGADHN CCCCCC[C@H](C)N[C@H](C)c1ncc[nH]1 ZINC000124760899 590084260 /nfs/dbraw/zinc/08/42/60/590084260.db2.gz JETHETMQSGUGTE-NWDGAFQWSA-N 0 3 223.364 3.419 20 0 BGADHN C[C@H](N[C@@H]1CCCCC1(C)C)c1ncc[nH]1 ZINC000124761119 490402005 /nfs/dbraw/zinc/40/20/05/490402005.db2.gz KNQCELDRNJUBGC-WDEREUQCSA-N 0 3 221.348 3.029 20 0 BGADHN C[C@@H](N[C@@H]1CCCCC1(C)C)c1ncc[nH]1 ZINC000124761343 490401708 /nfs/dbraw/zinc/40/17/08/490401708.db2.gz KNQCELDRNJUBGC-GHMZBOCLSA-N 0 3 221.348 3.029 20 0 BGADHN C[C@H](N[C@H]1CCCCC1(C)C)c1ncc[nH]1 ZINC000124761578 490401929 /nfs/dbraw/zinc/40/19/29/490401929.db2.gz KNQCELDRNJUBGC-QWRGUYRKSA-N 0 3 221.348 3.029 20 0 BGADHN C[C@@H](N[C@H]1CCCCC1(C)C)c1ncc[nH]1 ZINC000124761712 490403273 /nfs/dbraw/zinc/40/32/73/490403273.db2.gz KNQCELDRNJUBGC-MNOVXSKESA-N 0 3 221.348 3.029 20 0 BGADHN CCCn1cc(CN2CC[C@H](CC(C)C)C2)cn1 ZINC000124785357 387630538 /nfs/dbraw/zinc/63/05/38/387630538.db2.gz QXOMLWXSPSCAIN-CQSZACIVSA-N 0 3 249.402 3.161 20 0 BGADHN CCCn1cc(CN2CC[C@@H](CC(C)C)C2)cn1 ZINC000124785588 387630774 /nfs/dbraw/zinc/63/07/74/387630774.db2.gz QXOMLWXSPSCAIN-AWEZNQCLSA-N 0 3 249.402 3.161 20 0 BGADHN CCOC1CC(N[C@@H](C)c2cc(C)oc2C)C1 ZINC000124787291 170329025 /nfs/dbraw/zinc/32/90/25/170329025.db2.gz NHZQYPNQBSLXTK-PKSQDBQZSA-N 0 3 237.343 3.115 20 0 BGADHN CCOC1CC(N[C@H](C)c2cc(C)oc2C)C1 ZINC000124787511 170330503 /nfs/dbraw/zinc/33/05/03/170330503.db2.gz NHZQYPNQBSLXTK-QFWMXSHPSA-N 0 3 237.343 3.115 20 0 BGADHN C[C@H](NCCC1CCCCC1)c1ncc[nH]1 ZINC000124790767 590085602 /nfs/dbraw/zinc/08/56/02/590085602.db2.gz ZILJCDYXJOCPOH-NSHDSACASA-N 0 3 221.348 3.031 20 0 BGADHN C[C@@H](NCCC1CCCCC1)c1ncc[nH]1 ZINC000124791023 590085451 /nfs/dbraw/zinc/08/54/51/590085451.db2.gz ZILJCDYXJOCPOH-LLVKDONJSA-N 0 3 221.348 3.031 20 0 BGADHN C[C@H](N[C@@H]1CCCC(C)(C)C1)c1ncc[nH]1 ZINC000124815945 491128612 /nfs/dbraw/zinc/12/86/12/491128612.db2.gz OIECKKRWVGMIEX-WDEREUQCSA-N 0 3 221.348 3.029 20 0 BGADHN C[C@@H](N[C@@H]1CCCC(C)(C)C1)c1ncc[nH]1 ZINC000124816192 491128604 /nfs/dbraw/zinc/12/86/04/491128604.db2.gz OIECKKRWVGMIEX-GHMZBOCLSA-N 0 3 221.348 3.029 20 0 BGADHN C[C@H](N[C@H]1CCCC(C)(C)C1)c1ncc[nH]1 ZINC000124816431 491128617 /nfs/dbraw/zinc/12/86/17/491128617.db2.gz OIECKKRWVGMIEX-QWRGUYRKSA-N 0 3 221.348 3.029 20 0 BGADHN C[C@@H](N[C@H]1CCCC(C)(C)C1)c1ncc[nH]1 ZINC000124816659 490405199 /nfs/dbraw/zinc/40/51/99/490405199.db2.gz OIECKKRWVGMIEX-MNOVXSKESA-N 0 3 221.348 3.029 20 0 BGADHN CCCCC[C@@H](C)N[C@@H](C)c1ncc[nH]1 ZINC000124819677 590090797 /nfs/dbraw/zinc/09/07/97/590090797.db2.gz IIECBUYIVTVDSP-MNOVXSKESA-N 0 3 209.337 3.029 20 0 BGADHN CCCCC[C@H](C)N[C@@H](C)c1ncc[nH]1 ZINC000124819864 590091616 /nfs/dbraw/zinc/09/16/16/590091616.db2.gz IIECBUYIVTVDSP-QWRGUYRKSA-N 0 3 209.337 3.029 20 0 BGADHN CCCCC[C@@H](C)N[C@H](C)c1ncc[nH]1 ZINC000124820122 590091309 /nfs/dbraw/zinc/09/13/09/590091309.db2.gz IIECBUYIVTVDSP-GHMZBOCLSA-N 0 3 209.337 3.029 20 0 BGADHN CCCCC[C@H](C)N[C@H](C)c1ncc[nH]1 ZINC000124820305 590091373 /nfs/dbraw/zinc/09/13/73/590091373.db2.gz IIECBUYIVTVDSP-WDEREUQCSA-N 0 3 209.337 3.029 20 0 BGADHN CC1(C)CC(NCc2ccon2)CC(C)(C)C1 ZINC000124843413 491128659 /nfs/dbraw/zinc/12/86/59/491128659.db2.gz SHMQQXFCTKAJBB-UHFFFAOYSA-N 0 3 236.359 3.369 20 0 BGADHN CCC(CC)CNCc1cnc2ccccc2n1 ZINC000124847723 411325925 /nfs/dbraw/zinc/32/59/25/411325925.db2.gz MWZTXFSELSOQTE-UHFFFAOYSA-N 0 3 243.354 3.156 20 0 BGADHN CSC[C@H](C)N[C@@H](C)c1ccccc1F ZINC000124865956 386174228 /nfs/dbraw/zinc/17/42/28/386174228.db2.gz RTBYEINEAYSDQI-UWVGGRQHSA-N 0 3 227.348 3.228 20 0 BGADHN CSC[C@@H](C)N[C@@H](C)c1ccccc1F ZINC000124866205 386174928 /nfs/dbraw/zinc/17/49/28/386174928.db2.gz RTBYEINEAYSDQI-ZJUUUORDSA-N 0 3 227.348 3.228 20 0 BGADHN CSC[C@H](C)N[C@H](C)c1ccccc1F ZINC000124866417 386174435 /nfs/dbraw/zinc/17/44/35/386174435.db2.gz RTBYEINEAYSDQI-VHSXEESVSA-N 0 3 227.348 3.228 20 0 BGADHN CSC[C@@H](C)N[C@H](C)c1ccccc1F ZINC000124866651 386173249 /nfs/dbraw/zinc/17/32/49/386173249.db2.gz RTBYEINEAYSDQI-NXEZZACHSA-N 0 3 227.348 3.228 20 0 BGADHN CSC[C@H](C)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000124868847 384682444 /nfs/dbraw/zinc/68/24/44/384682444.db2.gz KCLOTPCHUMJLRG-IUCAKERBSA-N 0 3 245.338 3.367 20 0 BGADHN CSC[C@@H](C)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000124869056 384681607 /nfs/dbraw/zinc/68/16/07/384681607.db2.gz KCLOTPCHUMJLRG-BDAKNGLRSA-N 0 3 245.338 3.367 20 0 BGADHN CSC[C@H](C)N[C@H](C)c1ccc(F)c(F)c1 ZINC000124869286 384683482 /nfs/dbraw/zinc/68/34/82/384683482.db2.gz KCLOTPCHUMJLRG-DTWKUNHWSA-N 0 3 245.338 3.367 20 0 BGADHN CSC[C@@H](C)N[C@H](C)c1ccc(F)c(F)c1 ZINC000124869496 384682504 /nfs/dbraw/zinc/68/25/04/384682504.db2.gz KCLOTPCHUMJLRG-RKDXNWHRSA-N 0 3 245.338 3.367 20 0 BGADHN CSC[C@H](C)N[C@@H](C)c1ccc(F)cc1F ZINC000124880312 384683010 /nfs/dbraw/zinc/68/30/10/384683010.db2.gz UFOMAJJVBVGMQE-IUCAKERBSA-N 0 3 245.338 3.367 20 0 BGADHN CSC[C@@H](C)N[C@@H](C)c1ccc(F)cc1F ZINC000124880478 384681479 /nfs/dbraw/zinc/68/14/79/384681479.db2.gz UFOMAJJVBVGMQE-BDAKNGLRSA-N 0 3 245.338 3.367 20 0 BGADHN CSC[C@H](C)N[C@H](C)c1ccc(F)cc1F ZINC000124880638 384682879 /nfs/dbraw/zinc/68/28/79/384682879.db2.gz UFOMAJJVBVGMQE-DTWKUNHWSA-N 0 3 245.338 3.367 20 0 BGADHN CSC[C@@H](C)N[C@H](C)c1ccc(F)cc1F ZINC000124880839 384682327 /nfs/dbraw/zinc/68/23/27/384682327.db2.gz UFOMAJJVBVGMQE-RKDXNWHRSA-N 0 3 245.338 3.367 20 0 BGADHN CSC[C@H](C)N[C@@H](C)c1cc(F)ccc1F ZINC000124897266 384681469 /nfs/dbraw/zinc/68/14/69/384681469.db2.gz XTDBGUOFSIGWKE-IUCAKERBSA-N 0 3 245.338 3.367 20 0 BGADHN CSC[C@@H](C)N[C@@H](C)c1cc(F)ccc1F ZINC000124897478 175512501 /nfs/dbraw/zinc/51/25/01/175512501.db2.gz XTDBGUOFSIGWKE-BDAKNGLRSA-N 0 3 245.338 3.367 20 0 BGADHN CSC[C@H](C)N[C@H](C)c1cc(F)ccc1F ZINC000124897742 384682610 /nfs/dbraw/zinc/68/26/10/384682610.db2.gz XTDBGUOFSIGWKE-DTWKUNHWSA-N 0 3 245.338 3.367 20 0 BGADHN CSC[C@@H](C)N[C@H](C)c1cc(F)ccc1F ZINC000124897968 384682904 /nfs/dbraw/zinc/68/29/04/384682904.db2.gz XTDBGUOFSIGWKE-RKDXNWHRSA-N 0 3 245.338 3.367 20 0 BGADHN Cn1ccc(CNC(C)(C)c2ccc(F)cc2)c1 ZINC000124905118 590097744 /nfs/dbraw/zinc/09/77/44/590097744.db2.gz QUNRLDXMOKTVNT-UHFFFAOYSA-N 0 3 246.329 3.189 20 0 BGADHN COCCN(Cc1ccoc1)C1CCCCC1 ZINC000124932485 174300475 /nfs/dbraw/zinc/30/04/75/174300475.db2.gz YHDUYPBCHKGJJA-UHFFFAOYSA-N 0 3 237.343 3.061 20 0 BGADHN CSCCCCNCc1ccc(F)cc1F ZINC000124938203 323000448 /nfs/dbraw/zinc/00/04/48/323000448.db2.gz OIHIJNDIFRGVMW-UHFFFAOYSA-N 0 3 245.338 3.198 20 0 BGADHN CSCCCCNCc1ccccc1F ZINC000124940324 388666874 /nfs/dbraw/zinc/66/68/74/388666874.db2.gz MYQUTRPDVAWQQR-UHFFFAOYSA-N 0 3 227.348 3.059 20 0 BGADHN CSCCCCNCc1c(F)cccc1F ZINC000124941259 388667071 /nfs/dbraw/zinc/66/70/71/388667071.db2.gz YVKXMHZETLGLTN-UHFFFAOYSA-N 0 3 245.338 3.198 20 0 BGADHN CSCCCCNCc1cccc(F)c1F ZINC000124942026 324015088 /nfs/dbraw/zinc/01/50/88/324015088.db2.gz VYJWHPNFYZKPIX-UHFFFAOYSA-N 0 3 245.338 3.198 20 0 BGADHN CSCCCCNCc1cc(F)ccc1F ZINC000124945798 388667312 /nfs/dbraw/zinc/66/73/12/388667312.db2.gz HIIOJUNKBINNKF-UHFFFAOYSA-N 0 3 245.338 3.198 20 0 BGADHN CSCCCCNCc1ccc(Cl)o1 ZINC000124948464 386198186 /nfs/dbraw/zinc/19/81/86/386198186.db2.gz CJCWWRXQUHSBSZ-UHFFFAOYSA-N 0 3 233.764 3.166 20 0 BGADHN CC(C)CCC1CCN(Cc2cncn2C)CC1 ZINC000124950514 387637769 /nfs/dbraw/zinc/63/77/69/387637769.db2.gz WZVMRDYLOWIFJR-UHFFFAOYSA-N 0 3 249.402 3.068 20 0 BGADHN Fc1ccc(CNCCCC2CC2)c(F)c1 ZINC000124960309 371262904 /nfs/dbraw/zinc/26/29/04/371262904.db2.gz RKTVPYXVXVRYOH-UHFFFAOYSA-N 0 3 225.282 3.245 20 0 BGADHN Fc1ccccc1CNCCCC1CC1 ZINC000124962476 371262340 /nfs/dbraw/zinc/26/23/40/371262340.db2.gz DEHLQKOBJQFMNK-UHFFFAOYSA-N 0 3 207.292 3.106 20 0 BGADHN Fc1cccc(F)c1CNCCCC1CC1 ZINC000124963549 371264695 /nfs/dbraw/zinc/26/46/95/371264695.db2.gz KDGMCFBTZZTAOZ-UHFFFAOYSA-N 0 3 225.282 3.245 20 0 BGADHN COCc1ccc(CNCCC2=CCCCC2)o1 ZINC000124963659 386197565 /nfs/dbraw/zinc/19/75/65/386197565.db2.gz ZTGIBVCIRGEMTG-UHFFFAOYSA-N 0 3 249.354 3.406 20 0 BGADHN Fc1cccc(CNCCCC2CC2)c1F ZINC000124964452 388666569 /nfs/dbraw/zinc/66/65/69/388666569.db2.gz ZDHCDNCHXFIPGJ-UHFFFAOYSA-N 0 3 225.282 3.245 20 0 BGADHN Fc1ccc(F)c(CNCCCC2CC2)c1 ZINC000124967943 371265904 /nfs/dbraw/zinc/26/59/04/371265904.db2.gz MNYXKUWAAMTVEF-UHFFFAOYSA-N 0 3 225.282 3.245 20 0 BGADHN Clc1ccc(CNCCCC2CC2)o1 ZINC000124970634 371266498 /nfs/dbraw/zinc/26/64/98/371266498.db2.gz YTLUSFLLIYKHST-UHFFFAOYSA-N 0 3 213.708 3.213 20 0 BGADHN CSC[C@H](C)NCc1ccccc1Cl ZINC000124980321 386201270 /nfs/dbraw/zinc/20/12/70/386201270.db2.gz HDJDNSVQYLJXBW-VIFPVBQESA-N 0 3 229.776 3.181 20 0 BGADHN CSC[C@@H](C)NCc1ccccc1Cl ZINC000124980511 386201955 /nfs/dbraw/zinc/20/19/55/386201955.db2.gz HDJDNSVQYLJXBW-SECBINFHSA-N 0 3 229.776 3.181 20 0 BGADHN CSC[C@H](C)NCc1cc2ccccc2o1 ZINC000124987966 384690988 /nfs/dbraw/zinc/69/09/88/384690988.db2.gz HGLZMADOEFOOTB-JTQLQIEISA-N 0 3 235.352 3.274 20 0 BGADHN CSC[C@@H](C)NCc1cc2ccccc2o1 ZINC000124988159 384691088 /nfs/dbraw/zinc/69/10/88/384691088.db2.gz HGLZMADOEFOOTB-SNVBAGLBSA-N 0 3 235.352 3.274 20 0 BGADHN CSC[C@H](C)NCc1ccc(Cl)c(F)c1 ZINC000124988862 386200872 /nfs/dbraw/zinc/20/08/72/386200872.db2.gz YDYNTBOLURTVDN-QMMMGPOBSA-N 0 3 247.766 3.320 20 0 BGADHN CSC[C@@H](C)NCc1ccc(Cl)c(F)c1 ZINC000124989087 386201912 /nfs/dbraw/zinc/20/19/12/386201912.db2.gz YDYNTBOLURTVDN-MRVPVSSYSA-N 0 3 247.766 3.320 20 0 BGADHN CSC[C@H](C)NCc1ccc([C@H]2C[C@H]2C)o1 ZINC000124992766 388668111 /nfs/dbraw/zinc/66/81/11/388668111.db2.gz QNFRTXOVOZQEIF-SCVCMEIPSA-N 0 3 239.384 3.244 20 0 BGADHN CSC[C@H](C)NCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000124992941 388668682 /nfs/dbraw/zinc/66/86/82/388668682.db2.gz QNFRTXOVOZQEIF-NHCYSSNCSA-N 0 3 239.384 3.244 20 0 BGADHN CSC[C@H](C)NCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000124993112 388667799 /nfs/dbraw/zinc/66/77/99/388667799.db2.gz QNFRTXOVOZQEIF-JFGNBEQYSA-N 0 3 239.384 3.244 20 0 BGADHN CSC[C@H](C)NCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000124993333 324630102 /nfs/dbraw/zinc/63/01/02/324630102.db2.gz QNFRTXOVOZQEIF-JBLDHEPKSA-N 0 3 239.384 3.244 20 0 BGADHN CSC[C@H](C)NCc1ccc(Cl)s1 ZINC000124999711 386205088 /nfs/dbraw/zinc/20/50/88/386205088.db2.gz VINSWROGLWWHHL-ZETCQYMHSA-N 0 3 235.805 3.243 20 0 BGADHN CSC[C@@H](C)NCc1ccc(Cl)s1 ZINC000124999956 386752688 /nfs/dbraw/zinc/75/26/88/386752688.db2.gz VINSWROGLWWHHL-SSDOTTSWSA-N 0 3 235.805 3.243 20 0 BGADHN CSC[C@H](C)NCc1cccc(Cl)c1 ZINC000125013621 386215353 /nfs/dbraw/zinc/21/53/53/386215353.db2.gz OPDQHRCAEATKHY-VIFPVBQESA-N 0 3 229.776 3.181 20 0 BGADHN CSC[C@@H](C)NCc1cccc(Cl)c1 ZINC000125013856 386214899 /nfs/dbraw/zinc/21/48/99/386214899.db2.gz OPDQHRCAEATKHY-SECBINFHSA-N 0 3 229.776 3.181 20 0 BGADHN c1sc(CNC[C@H]2CC=CCC2)nc1C1CC1 ZINC000125016263 384691948 /nfs/dbraw/zinc/69/19/48/384691948.db2.gz POVUODYWOSJFCZ-NSHDSACASA-N 0 3 248.395 3.466 20 0 BGADHN c1sc(CNC[C@@H]2CC=CCC2)nc1C1CC1 ZINC000125016492 384688744 /nfs/dbraw/zinc/68/87/44/384688744.db2.gz POVUODYWOSJFCZ-LLVKDONJSA-N 0 3 248.395 3.466 20 0 BGADHN CCCCC[C@@H](C)NCc1ccc(COC)o1 ZINC000125017017 386216089 /nfs/dbraw/zinc/21/60/89/386216089.db2.gz QKPIGXHUFOIHJC-GFCCVEGCSA-N 0 3 239.359 3.484 20 0 BGADHN CCCCC[C@H](C)NCc1ccc(COC)o1 ZINC000125017204 386214163 /nfs/dbraw/zinc/21/41/63/386214163.db2.gz QKPIGXHUFOIHJC-LBPRGKRZSA-N 0 3 239.359 3.484 20 0 BGADHN COCc1ccc(CNC2CCCCCC2)o1 ZINC000125018075 386215662 /nfs/dbraw/zinc/21/56/62/386215662.db2.gz GWHWXGFTUXBPSG-UHFFFAOYSA-N 0 3 237.343 3.238 20 0 BGADHN COCc1ccc(CN[C@H](C)CCC(C)C)o1 ZINC000125022766 386215934 /nfs/dbraw/zinc/21/59/34/386215934.db2.gz MZUYKZABZLCYJV-GFCCVEGCSA-N 0 3 239.359 3.340 20 0 BGADHN COCc1ccc(CN[C@@H](C)CCC(C)C)o1 ZINC000125022970 386214543 /nfs/dbraw/zinc/21/45/43/386214543.db2.gz MZUYKZABZLCYJV-LBPRGKRZSA-N 0 3 239.359 3.340 20 0 BGADHN CCCCCCNCc1ccc(COC)o1 ZINC000125025862 384689113 /nfs/dbraw/zinc/68/91/13/384689113.db2.gz DICVEBDYPGMVFT-UHFFFAOYSA-N 0 3 225.332 3.096 20 0 BGADHN CCC(CC)CNCc1cccc(OC)c1F ZINC000125027127 490410953 /nfs/dbraw/zinc/41/09/53/490410953.db2.gz IKHDVGZYBVZEMV-UHFFFAOYSA-N 0 3 239.334 3.360 20 0 BGADHN FC(F)Oc1ccccc1CNC1CC=CC1 ZINC000125032269 411340901 /nfs/dbraw/zinc/34/09/01/411340901.db2.gz SXGGRQDYGOXQQR-UHFFFAOYSA-N 0 3 239.265 3.096 20 0 BGADHN CSCC[C@H](C)NCc1ccc(F)cc1F ZINC000125038742 590115224 /nfs/dbraw/zinc/11/52/24/590115224.db2.gz PKOJOAOSYBZWQJ-VIFPVBQESA-N 0 3 245.338 3.196 20 0 BGADHN CSCC[C@@H](C)NCc1ccc(F)cc1F ZINC000125038954 590115341 /nfs/dbraw/zinc/11/53/41/590115341.db2.gz PKOJOAOSYBZWQJ-SECBINFHSA-N 0 3 245.338 3.196 20 0 BGADHN CC(C)Oc1ccccc1CNC1CC=CC1 ZINC000125040073 411342068 /nfs/dbraw/zinc/34/20/68/411342068.db2.gz ZNKSQOYKUFSGDF-UHFFFAOYSA-N 0 3 231.339 3.282 20 0 BGADHN CSCC[C@H](C)NCc1ccccc1F ZINC000125042075 590116396 /nfs/dbraw/zinc/11/63/96/590116396.db2.gz LJQZQXAPVSFWGF-JTQLQIEISA-N 0 3 227.348 3.057 20 0 BGADHN CSCC[C@@H](C)NCc1ccccc1F ZINC000125042315 590116295 /nfs/dbraw/zinc/11/62/95/590116295.db2.gz LJQZQXAPVSFWGF-SNVBAGLBSA-N 0 3 227.348 3.057 20 0 BGADHN CSCC[C@H](C)NCc1cccc(F)c1F ZINC000125044660 590116305 /nfs/dbraw/zinc/11/63/05/590116305.db2.gz XIQFAMGIHRVJFH-VIFPVBQESA-N 0 3 245.338 3.196 20 0 BGADHN CSCC[C@@H](C)NCc1cccc(F)c1F ZINC000125044863 590116586 /nfs/dbraw/zinc/11/65/86/590116586.db2.gz XIQFAMGIHRVJFH-SECBINFHSA-N 0 3 245.338 3.196 20 0 BGADHN CSCC[C@H](C)NCc1cc(F)ccc1F ZINC000125049963 590116214 /nfs/dbraw/zinc/11/62/14/590116214.db2.gz VTAFBCCFPWWRGU-VIFPVBQESA-N 0 3 245.338 3.196 20 0 BGADHN CSCC[C@@H](C)NCc1cc(F)ccc1F ZINC000125050154 590116549 /nfs/dbraw/zinc/11/65/49/590116549.db2.gz VTAFBCCFPWWRGU-SECBINFHSA-N 0 3 245.338 3.196 20 0 BGADHN CSCC[C@H](C)NCc1ccc(Cl)o1 ZINC000125054923 590116402 /nfs/dbraw/zinc/11/64/02/590116402.db2.gz QMQOJSMFNPDPOR-QMMMGPOBSA-N 0 3 233.764 3.164 20 0 BGADHN CSCC[C@@H](C)NCc1ccc(Cl)o1 ZINC000125055139 590116506 /nfs/dbraw/zinc/11/65/06/590116506.db2.gz QMQOJSMFNPDPOR-MRVPVSSYSA-N 0 3 233.764 3.164 20 0 BGADHN CC(C)Cc1ncc(CNC2CC=CC2)s1 ZINC000125064700 490412766 /nfs/dbraw/zinc/41/27/66/490412766.db2.gz WEZOJRZZQHUNPP-UHFFFAOYSA-N 0 3 236.384 3.150 20 0 BGADHN CC1CCC(CN(C)Cc2cccnc2)CC1 ZINC000125072253 168154236 /nfs/dbraw/zinc/15/42/36/168154236.db2.gz GESNHUPKBNHOIQ-UHFFFAOYSA-N 0 3 232.371 3.340 20 0 BGADHN CCn1nccc1CN[C@@H](C)c1ccccc1C ZINC000125089396 172273179 /nfs/dbraw/zinc/27/31/79/172273179.db2.gz YWDBTAFXAPRKLW-ZDUSSCGKSA-N 0 3 243.354 3.062 20 0 BGADHN CCn1nccc1CN[C@H](C)c1ccccc1C ZINC000125089623 172272234 /nfs/dbraw/zinc/27/22/34/172272234.db2.gz YWDBTAFXAPRKLW-CYBMUJFWSA-N 0 3 243.354 3.062 20 0 BGADHN CC[C@@H]1CCN(Cc2ccc(F)c(F)c2)C1 ZINC000125100370 171010926 /nfs/dbraw/zinc/01/09/26/171010926.db2.gz AZSMVEXXSZTBCC-SNVBAGLBSA-N 0 3 225.282 3.197 20 0 BGADHN CC[C@H]1CCN(Cc2ccc(F)c(F)c2)C1 ZINC000125100567 387643860 /nfs/dbraw/zinc/64/38/60/387643860.db2.gz AZSMVEXXSZTBCC-JTQLQIEISA-N 0 3 225.282 3.197 20 0 BGADHN Fc1cc(CNC2CCC2)cc(C(F)(F)F)c1 ZINC000125104099 180947561 /nfs/dbraw/zinc/94/75/61/180947561.db2.gz ZBLGDOCRGFJGPK-UHFFFAOYSA-N 0 3 247.235 3.487 20 0 BGADHN CC[C@@H]1CCN(Cc2cccc(F)c2F)C1 ZINC000125121454 171012913 /nfs/dbraw/zinc/01/29/13/171012913.db2.gz MJHVZKWSESERTM-SNVBAGLBSA-N 0 3 225.282 3.197 20 0 BGADHN CC[C@H]1CCN(Cc2cccc(F)c2F)C1 ZINC000125121672 387644412 /nfs/dbraw/zinc/64/44/12/387644412.db2.gz MJHVZKWSESERTM-JTQLQIEISA-N 0 3 225.282 3.197 20 0 BGADHN C[C@H](O)CCN(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000125150776 384696098 /nfs/dbraw/zinc/69/60/98/384696098.db2.gz WFWYRNNDDFOEIR-QWRGUYRKSA-N 0 3 241.762 3.104 20 0 BGADHN C[C@@H](O)CCN(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000125151028 176014229 /nfs/dbraw/zinc/01/42/29/176014229.db2.gz WFWYRNNDDFOEIR-MNOVXSKESA-N 0 3 241.762 3.104 20 0 BGADHN COCc1ccc(CNC2CCC(C)CC2)o1 ZINC000125162732 174624608 /nfs/dbraw/zinc/62/46/08/174624608.db2.gz PYYFGCZBPICTQS-UHFFFAOYSA-N 0 3 237.343 3.094 20 0 BGADHN CCn1nccc1CN[C@@H](C)c1ccc(C)cc1 ZINC000125220730 172272168 /nfs/dbraw/zinc/27/21/68/172272168.db2.gz MUFDFDVMLZQIKI-ZDUSSCGKSA-N 0 3 243.354 3.062 20 0 BGADHN CCn1nccc1CN[C@H](C)c1ccc(C)cc1 ZINC000125220936 172271900 /nfs/dbraw/zinc/27/19/00/172271900.db2.gz MUFDFDVMLZQIKI-CYBMUJFWSA-N 0 3 243.354 3.062 20 0 BGADHN COc1cccc(F)c1[C@H](C)NCC(C)C ZINC000125226279 388669385 /nfs/dbraw/zinc/66/93/85/388669385.db2.gz DPWAUXBCOHYMSW-JTQLQIEISA-N 0 3 225.307 3.141 20 0 BGADHN COc1cccc(F)c1[C@@H](C)NCC(C)C ZINC000125226516 388669478 /nfs/dbraw/zinc/66/94/78/388669478.db2.gz DPWAUXBCOHYMSW-SNVBAGLBSA-N 0 3 225.307 3.141 20 0 BGADHN CCCCN[C@@H](C)c1c(F)cccc1OC ZINC000125226745 324635647 /nfs/dbraw/zinc/63/56/47/324635647.db2.gz GGTNDCJUCVISBC-JTQLQIEISA-N 0 3 225.307 3.285 20 0 BGADHN CCCCN[C@H](C)c1c(F)cccc1OC ZINC000125226970 324635752 /nfs/dbraw/zinc/63/57/52/324635752.db2.gz GGTNDCJUCVISBC-SNVBAGLBSA-N 0 3 225.307 3.285 20 0 BGADHN CC1(C)Cc2cccc(CNC3CC=CC3)c2O1 ZINC000125237089 490422102 /nfs/dbraw/zinc/42/21/02/490422102.db2.gz NNNQPPHGVVIPPB-UHFFFAOYSA-N 0 3 243.350 3.208 20 0 BGADHN Cc1nc(CN2C[C@H](C)CCC[C@@H]2C)oc1C ZINC000125241492 387648199 /nfs/dbraw/zinc/64/81/99/387648199.db2.gz ARFTXZKLRQLJNI-MNOVXSKESA-N 0 3 236.359 3.302 20 0 BGADHN Cc1nc(CN2C[C@@H](C)CCC[C@@H]2C)oc1C ZINC000125241747 387649262 /nfs/dbraw/zinc/64/92/62/387649262.db2.gz ARFTXZKLRQLJNI-QWRGUYRKSA-N 0 3 236.359 3.302 20 0 BGADHN COc1cccc2cc(CNC3CC=CC3)oc21 ZINC000125242561 590158947 /nfs/dbraw/zinc/15/89/47/590158947.db2.gz FLQVRYREOABFQD-UHFFFAOYSA-N 0 3 243.306 3.250 20 0 BGADHN Cc1cnc([C@@H](C)N[C@@H]2CCC[C@@H]2C)s1 ZINC000125255177 386237116 /nfs/dbraw/zinc/23/71/16/386237116.db2.gz IZLYDGTYSDNYEF-JMJZKYOTSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1cnc([C@H](C)N[C@@H]2CCC[C@@H]2C)s1 ZINC000125255431 179654367 /nfs/dbraw/zinc/65/43/67/179654367.db2.gz IZLYDGTYSDNYEF-INTQDDNPSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1cnc([C@@H](C)N[C@H]2CCC[C@@H]2C)s1 ZINC000125255654 386237498 /nfs/dbraw/zinc/23/74/98/386237498.db2.gz IZLYDGTYSDNYEF-GDPRMGEGSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1cnc([C@H](C)N[C@H]2CCC[C@@H]2C)s1 ZINC000125255848 386236912 /nfs/dbraw/zinc/23/69/12/386236912.db2.gz IZLYDGTYSDNYEF-LSJOCFKGSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1cnc([C@@H](C)N[C@@H](C)C(C)C)s1 ZINC000125257908 386237559 /nfs/dbraw/zinc/23/75/59/386237559.db2.gz HIGQVIVIRHFDOB-VHSXEESVSA-N 0 3 212.362 3.147 20 0 BGADHN Cc1cnc([C@H](C)N[C@@H](C)C(C)C)s1 ZINC000125258133 386237037 /nfs/dbraw/zinc/23/70/37/386237037.db2.gz HIGQVIVIRHFDOB-UWVGGRQHSA-N 0 3 212.362 3.147 20 0 BGADHN Cc1cnc([C@@H](C)N[C@H](C)C(C)C)s1 ZINC000125258350 386236944 /nfs/dbraw/zinc/23/69/44/386236944.db2.gz HIGQVIVIRHFDOB-NXEZZACHSA-N 0 3 212.362 3.147 20 0 BGADHN Cc1cnc([C@H](C)N[C@H](C)C(C)C)s1 ZINC000125258551 179655480 /nfs/dbraw/zinc/65/54/80/179655480.db2.gz HIGQVIVIRHFDOB-ZJUUUORDSA-N 0 3 212.362 3.147 20 0 BGADHN CCC[C@@H](C)N[C@@H](C)c1ncc(C)s1 ZINC000125260609 169370739 /nfs/dbraw/zinc/37/07/39/169370739.db2.gz CDSSWDAENNIVGV-SCZZXKLOSA-N 0 3 212.362 3.291 20 0 BGADHN CCC[C@H](C)N[C@@H](C)c1ncc(C)s1 ZINC000125260851 386238456 /nfs/dbraw/zinc/23/84/56/386238456.db2.gz CDSSWDAENNIVGV-WPRPVWTQSA-N 0 3 212.362 3.291 20 0 BGADHN CC[C@](C)(NCc1ccn(C)c1)c1ccccc1 ZINC000125261099 590159714 /nfs/dbraw/zinc/15/97/14/590159714.db2.gz NYIMCTIHJLOOBE-INIZCTEOSA-N 0 3 242.366 3.440 20 0 BGADHN CCC[C@@H](C)N[C@H](C)c1ncc(C)s1 ZINC000125261100 169371655 /nfs/dbraw/zinc/37/16/55/169371655.db2.gz CDSSWDAENNIVGV-PSASIEDQSA-N 0 3 212.362 3.291 20 0 BGADHN CCC[C@H](C)N[C@H](C)c1ncc(C)s1 ZINC000125261268 386238139 /nfs/dbraw/zinc/23/81/39/386238139.db2.gz CDSSWDAENNIVGV-WCBMZHEXSA-N 0 3 212.362 3.291 20 0 BGADHN CC[C@@](C)(NCc1ccn(C)c1)c1ccccc1 ZINC000125261287 590159580 /nfs/dbraw/zinc/15/95/80/590159580.db2.gz NYIMCTIHJLOOBE-MRXNPFEDSA-N 0 3 242.366 3.440 20 0 BGADHN Cc1cnc([C@@H](C)NC2CCCC2)s1 ZINC000125262419 386772115 /nfs/dbraw/zinc/77/21/15/386772115.db2.gz KLKFQIQQZZILPV-SECBINFHSA-N 0 3 210.346 3.045 20 0 BGADHN Cc1cnc([C@H](C)NC2CCCC2)s1 ZINC000125262651 386770620 /nfs/dbraw/zinc/77/06/20/386770620.db2.gz KLKFQIQQZZILPV-VIFPVBQESA-N 0 3 210.346 3.045 20 0 BGADHN Cc1cnc([C@@H](C)N[C@@H]2CC[C@H](C)C2)s1 ZINC000125262874 384706432 /nfs/dbraw/zinc/70/64/32/384706432.db2.gz HSGYDMQNFTTXRI-JMJZKYOTSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1cnc([C@H](C)N[C@@H]2CC[C@H](C)C2)s1 ZINC000125263083 386238674 /nfs/dbraw/zinc/23/86/74/386238674.db2.gz HSGYDMQNFTTXRI-INTQDDNPSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1cnc([C@@H](C)N[C@H]2CC[C@H](C)C2)s1 ZINC000125263296 384706763 /nfs/dbraw/zinc/70/67/63/384706763.db2.gz HSGYDMQNFTTXRI-GDPRMGEGSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1cnc([C@H](C)N[C@H]2CC[C@H](C)C2)s1 ZINC000125263542 386237580 /nfs/dbraw/zinc/23/75/80/386237580.db2.gz HSGYDMQNFTTXRI-LSJOCFKGSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1ccc(-c2ncc(CN3CCCC3)s2)o1 ZINC000125264536 178338325 /nfs/dbraw/zinc/33/83/25/178338325.db2.gz IGJFCOFRKADXKP-UHFFFAOYSA-N 0 3 248.351 3.307 20 0 BGADHN CCC(CC)N[C@@H](C)c1ncc(C)s1 ZINC000125270116 168391819 /nfs/dbraw/zinc/39/18/19/168391819.db2.gz KPFMCHHZBVZNCG-VIFPVBQESA-N 0 3 212.362 3.291 20 0 BGADHN CCC(CC)N[C@H](C)c1ncc(C)s1 ZINC000125270462 168392392 /nfs/dbraw/zinc/39/23/92/168392392.db2.gz KPFMCHHZBVZNCG-SECBINFHSA-N 0 3 212.362 3.291 20 0 BGADHN CC[C@H](NCc1ccnn1CC)c1cccs1 ZINC000125275474 387648823 /nfs/dbraw/zinc/64/88/23/387648823.db2.gz LZKPXMDXABDYHO-LBPRGKRZSA-N 0 3 249.383 3.205 20 0 BGADHN CC[C@@H](NCc1ccnn1CC)c1cccs1 ZINC000125275681 387649597 /nfs/dbraw/zinc/64/95/97/387649597.db2.gz LZKPXMDXABDYHO-GFCCVEGCSA-N 0 3 249.383 3.205 20 0 BGADHN CCn1nccc1CN[C@@H](C)c1ccc(C)s1 ZINC000125288145 490426736 /nfs/dbraw/zinc/42/67/36/490426736.db2.gz GVZLPCNBXSKOTR-NSHDSACASA-N 0 3 249.383 3.124 20 0 BGADHN CCn1nccc1CN[C@H](C)c1ccc(C)s1 ZINC000125288351 490427030 /nfs/dbraw/zinc/42/70/30/490427030.db2.gz GVZLPCNBXSKOTR-LLVKDONJSA-N 0 3 249.383 3.124 20 0 BGADHN CC(C)N[C@H](c1nc2ccccc2[nH]1)C(C)C ZINC000125291953 167139469 /nfs/dbraw/zinc/13/94/69/167139469.db2.gz VBGPFEFLOBMSMT-ZDUSSCGKSA-N 0 3 231.343 3.258 20 0 BGADHN CC(C)N[C@@H](c1nc2ccccc2[nH]1)C(C)C ZINC000125292217 167134415 /nfs/dbraw/zinc/13/44/15/167134415.db2.gz VBGPFEFLOBMSMT-CYBMUJFWSA-N 0 3 231.343 3.258 20 0 BGADHN C[C@H](NCCCOC1CCCC1)c1ccco1 ZINC000125303856 384708680 /nfs/dbraw/zinc/70/86/80/384708680.db2.gz RAZHGBBGMMSQOL-LBPRGKRZSA-N 0 3 237.343 3.280 20 0 BGADHN C[C@@H](NCCCOC1CCCC1)c1ccco1 ZINC000125304088 384708020 /nfs/dbraw/zinc/70/80/20/384708020.db2.gz RAZHGBBGMMSQOL-GFCCVEGCSA-N 0 3 237.343 3.280 20 0 BGADHN CC[C@H](NCc1ccnn1CC)c1ccccc1 ZINC000125306977 386792931 /nfs/dbraw/zinc/79/29/31/386792931.db2.gz GOQMEVVRMZIOLF-HNNXBMFYSA-N 0 3 243.354 3.144 20 0 BGADHN CC[C@@H](NCc1ccnn1CC)c1ccccc1 ZINC000125307156 170903569 /nfs/dbraw/zinc/90/35/69/170903569.db2.gz GOQMEVVRMZIOLF-OAHLLOKOSA-N 0 3 243.354 3.144 20 0 BGADHN COCc1ccc(CN[C@H]2CCC[C@@H](C)C2)o1 ZINC000125315736 386244311 /nfs/dbraw/zinc/24/43/11/386244311.db2.gz OARAEWVURISEGX-NEPJUHHUSA-N 0 3 237.343 3.094 20 0 BGADHN COCc1ccc(CN[C@H]2CCC[C@H](C)C2)o1 ZINC000125315963 386244395 /nfs/dbraw/zinc/24/43/95/386244395.db2.gz OARAEWVURISEGX-RYUDHWBXSA-N 0 3 237.343 3.094 20 0 BGADHN CCC1CCN(Cc2ccc(COC)o2)CC1 ZINC000125316179 384710199 /nfs/dbraw/zinc/71/01/99/384710199.db2.gz AWYAHDPIWDEPCN-UHFFFAOYSA-N 0 3 237.343 3.048 20 0 BGADHN COCc1ccc(CN[C@@H]2CCC[C@@H](C)C2)o1 ZINC000125316185 386243718 /nfs/dbraw/zinc/24/37/18/386243718.db2.gz OARAEWVURISEGX-VXGBXAGGSA-N 0 3 237.343 3.094 20 0 BGADHN COCc1ccc(CN[C@@H]2CCC[C@H](C)C2)o1 ZINC000125316353 386244941 /nfs/dbraw/zinc/24/49/41/386244941.db2.gz OARAEWVURISEGX-NWDGAFQWSA-N 0 3 237.343 3.094 20 0 BGADHN CCC1CCN(Cc2c(C)nn(CC)c2C)CC1 ZINC000125325424 387652195 /nfs/dbraw/zinc/65/21/95/387652195.db2.gz NEDBTLFCFBMHAE-UHFFFAOYSA-N 0 3 249.402 3.142 20 0 BGADHN Cc1nc(CN2C[C@H](C)CCC[C@@H]2C)cs1 ZINC000125329979 387650681 /nfs/dbraw/zinc/65/06/81/387650681.db2.gz ZULXTMSVIJSYCQ-MNOVXSKESA-N 0 3 238.400 3.462 20 0 BGADHN Cc1nc(CN2C[C@@H](C)CCC[C@@H]2C)cs1 ZINC000125330192 387652040 /nfs/dbraw/zinc/65/20/40/387652040.db2.gz ZULXTMSVIJSYCQ-QWRGUYRKSA-N 0 3 238.400 3.462 20 0 BGADHN CCC1CCN(Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000125344345 388670421 /nfs/dbraw/zinc/67/04/21/388670421.db2.gz CRHWENZPCKOOQW-UHFFFAOYSA-N 0 3 249.402 3.329 20 0 BGADHN CCC1CCN(Cc2occc2C)CC1 ZINC000125347253 387654164 /nfs/dbraw/zinc/65/41/64/387654164.db2.gz PVQFAIYBIRDTDC-UHFFFAOYSA-N 0 3 207.317 3.210 20 0 BGADHN CC(C)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000125353718 167135201 /nfs/dbraw/zinc/13/52/01/167135201.db2.gz WHCUSBJEHBGRRK-KBPBESRZSA-N 0 3 237.318 3.044 20 0 BGADHN CC(C)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000125353927 167140878 /nfs/dbraw/zinc/14/08/78/167140878.db2.gz WHCUSBJEHBGRRK-UONOGXRCSA-N 0 3 237.318 3.044 20 0 BGADHN CC(C)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000125354133 167135363 /nfs/dbraw/zinc/13/53/63/167135363.db2.gz WHCUSBJEHBGRRK-KGLIPLIRSA-N 0 3 237.318 3.044 20 0 BGADHN CC(C)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000125354335 167140534 /nfs/dbraw/zinc/14/05/34/167140534.db2.gz WHCUSBJEHBGRRK-ZIAGYGMSSA-N 0 3 237.318 3.044 20 0 BGADHN CCC1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000125361987 168528350 /nfs/dbraw/zinc/52/83/50/168528350.db2.gz BFCBSWPSNOSSHQ-UHFFFAOYSA-N 0 3 249.402 3.260 20 0 BGADHN c1c[nH]c([C@@H]2CCCN2Cc2cccs2)c1 ZINC000125385822 183327382 /nfs/dbraw/zinc/32/73/82/183327382.db2.gz IUADXEPAKDUSMB-ZDUSSCGKSA-N 0 3 232.352 3.413 20 0 BGADHN c1c[nH]c([C@H]2CCCN2Cc2cccs2)c1 ZINC000125385971 183329212 /nfs/dbraw/zinc/32/92/12/183329212.db2.gz IUADXEPAKDUSMB-CYBMUJFWSA-N 0 3 232.352 3.413 20 0 BGADHN CCCCOCCCNCc1ccc(CC)o1 ZINC000125400373 388671685 /nfs/dbraw/zinc/67/16/85/388671685.db2.gz XRODLVBPNBONKK-UHFFFAOYSA-N 0 3 239.359 3.138 20 0 BGADHN CC[C@@H]1CCN(Cc2ccc(OC)c(F)c2)C1 ZINC000125403748 171011478 /nfs/dbraw/zinc/01/14/78/171011478.db2.gz WLVXNCKVSLOTTP-LLVKDONJSA-N 0 3 237.318 3.066 20 0 BGADHN CC[C@H]1CCN(Cc2ccc(OC)c(F)c2)C1 ZINC000125403981 387653183 /nfs/dbraw/zinc/65/31/83/387653183.db2.gz WLVXNCKVSLOTTP-NSHDSACASA-N 0 3 237.318 3.066 20 0 BGADHN Cc1cc(CNCc2ccc(O)cc2)c(C)s1 ZINC000125405714 324640279 /nfs/dbraw/zinc/64/02/79/324640279.db2.gz QODKCCHAIFNCJF-UHFFFAOYSA-N 0 3 247.363 3.360 20 0 BGADHN CC[C@@H]1CCN(Cc2nc3ccccc3o2)C1 ZINC000125414108 171013382 /nfs/dbraw/zinc/01/33/82/171013382.db2.gz OUQNRHSOAOEMRS-LLVKDONJSA-N 0 3 230.311 3.060 20 0 BGADHN CC[C@H]1CCN(Cc2nc3ccccc3o2)C1 ZINC000125414302 387657064 /nfs/dbraw/zinc/65/70/64/387657064.db2.gz OUQNRHSOAOEMRS-NSHDSACASA-N 0 3 230.311 3.060 20 0 BGADHN Cc1cnc(CNC2C[C@@H](C)C[C@H](C)C2)s1 ZINC000125417717 388671907 /nfs/dbraw/zinc/67/19/07/388671907.db2.gz FQAKKPCJNIFAFU-UWVGGRQHSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1cnc(CNC2C[C@H](C)C[C@@H](C)C2)s1 ZINC000125417946 324641108 /nfs/dbraw/zinc/64/11/08/324641108.db2.gz FQAKKPCJNIFAFU-NXEZZACHSA-N 0 3 238.400 3.366 20 0 BGADHN Cn1ccc(CN(Cc2ccccc2)C2CC2)c1 ZINC000125423541 180691610 /nfs/dbraw/zinc/69/16/10/180691610.db2.gz MEIFLZVZSBGBJE-UHFFFAOYSA-N 0 3 240.350 3.190 20 0 BGADHN Cc1cnc([C@@H](C)NCC2CCCC2)s1 ZINC000125433349 179646761 /nfs/dbraw/zinc/64/67/61/179646761.db2.gz GKCPSGIWTIVKLH-SNVBAGLBSA-N 0 3 224.373 3.292 20 0 BGADHN Cc1cnc([C@H](C)NCC2CCCC2)s1 ZINC000125433530 386255052 /nfs/dbraw/zinc/25/50/52/386255052.db2.gz GKCPSGIWTIVKLH-JTQLQIEISA-N 0 3 224.373 3.292 20 0 BGADHN CC1(C)CC(NCc2cnccn2)CC(C)(C)C1 ZINC000125469657 343173571 /nfs/dbraw/zinc/17/35/71/343173571.db2.gz RQGAYDVCOOJTOD-UHFFFAOYSA-N 0 3 247.386 3.171 20 0 BGADHN CC[C@@H]1CCN(Cc2cc(F)ccc2F)C1 ZINC000125489649 171010715 /nfs/dbraw/zinc/01/07/15/171010715.db2.gz JMGLZCAOMYBGIA-SNVBAGLBSA-N 0 3 225.282 3.197 20 0 BGADHN CC[C@H]1CCN(Cc2cc(F)ccc2F)C1 ZINC000125489888 387657809 /nfs/dbraw/zinc/65/78/09/387657809.db2.gz JMGLZCAOMYBGIA-JTQLQIEISA-N 0 3 225.282 3.197 20 0 BGADHN CC[C@@H]1CCN(Cc2ccc(F)cc2F)C1 ZINC000125490217 171010870 /nfs/dbraw/zinc/01/08/70/171010870.db2.gz JCIZUGWMJZJATO-SNVBAGLBSA-N 0 3 225.282 3.197 20 0 BGADHN CC[C@H]1CCN(Cc2ccc(F)cc2F)C1 ZINC000125490440 387658239 /nfs/dbraw/zinc/65/82/39/387658239.db2.gz JCIZUGWMJZJATO-JTQLQIEISA-N 0 3 225.282 3.197 20 0 BGADHN CCC(C)(CC)NCc1c(C)nn(C)c1Cl ZINC000125503190 168310837 /nfs/dbraw/zinc/31/08/37/168310837.db2.gz RTNODUMODGBYCN-UHFFFAOYSA-N 0 3 243.782 3.050 20 0 BGADHN Fc1cccc(Cl)c1CCN1CCCC1 ZINC000125517201 387659406 /nfs/dbraw/zinc/65/94/06/387659406.db2.gz WRDWGYMAEOYTKD-UHFFFAOYSA-N 0 3 227.710 3.117 20 0 BGADHN CC[C@@H](C)CN(CCOC)Cc1ccc(C)o1 ZINC000125519476 387658659 /nfs/dbraw/zinc/65/86/59/387658659.db2.gz ZDCYBFPXZMXBIL-GFCCVEGCSA-N 0 3 239.359 3.083 20 0 BGADHN CC[C@H](C)CN(CCOC)Cc1ccc(C)o1 ZINC000125519649 171279180 /nfs/dbraw/zinc/27/91/80/171279180.db2.gz ZDCYBFPXZMXBIL-LBPRGKRZSA-N 0 3 239.359 3.083 20 0 BGADHN CC1(C)CC(NCc2ncccn2)CC(C)(C)C1 ZINC000125525650 343173542 /nfs/dbraw/zinc/17/35/42/343173542.db2.gz GLXDUYFILCURIE-UHFFFAOYSA-N 0 3 247.386 3.171 20 0 BGADHN Cc1cc(CN[C@@H](C)[C@@H](C)c2ccccc2)on1 ZINC000125527967 178028858 /nfs/dbraw/zinc/02/88/58/178028858.db2.gz DEAMEULMFACFQZ-OLZOCXBDSA-N 0 3 244.338 3.265 20 0 BGADHN Cc1cc(CN[C@H](C)[C@@H](C)c2ccccc2)on1 ZINC000125528192 178036842 /nfs/dbraw/zinc/03/68/42/178036842.db2.gz DEAMEULMFACFQZ-CHWSQXEVSA-N 0 3 244.338 3.265 20 0 BGADHN Cc1cc(CN[C@@H](C)[C@H](C)c2ccccc2)on1 ZINC000125528430 178030501 /nfs/dbraw/zinc/03/05/01/178030501.db2.gz DEAMEULMFACFQZ-STQMWFEESA-N 0 3 244.338 3.265 20 0 BGADHN Cc1cc(CN[C@H](C)[C@H](C)c2ccccc2)on1 ZINC000125528660 178036414 /nfs/dbraw/zinc/03/64/14/178036414.db2.gz DEAMEULMFACFQZ-QWHCGFSZSA-N 0 3 244.338 3.265 20 0 BGADHN CC(C)=CCC[C@H](C)NCc1cc(C)no1 ZINC000125539652 386265076 /nfs/dbraw/zinc/26/50/76/386265076.db2.gz NULWIBUSPBSDFJ-NSHDSACASA-N 0 3 222.332 3.208 20 0 BGADHN CC(C)=CCC[C@@H](C)NCc1cc(C)no1 ZINC000125539872 386850356 /nfs/dbraw/zinc/85/03/56/386850356.db2.gz NULWIBUSPBSDFJ-LLVKDONJSA-N 0 3 222.332 3.208 20 0 BGADHN C[C@@H](CC1CCCC1)NCc1ccccn1 ZINC000125539946 491129149 /nfs/dbraw/zinc/12/91/49/491129149.db2.gz LFHQDYZYMQPSFN-LBPRGKRZSA-N 0 3 218.344 3.140 20 0 BGADHN C[C@H](CC1CCCC1)NCc1ccccn1 ZINC000125540196 491129105 /nfs/dbraw/zinc/12/91/05/491129105.db2.gz LFHQDYZYMQPSFN-GFCCVEGCSA-N 0 3 218.344 3.140 20 0 BGADHN C[C@@H](CC1CCCC1)NCc1ccco1 ZINC000125544070 388672852 /nfs/dbraw/zinc/67/28/52/388672852.db2.gz LUCJMMUPYHRMOD-NSHDSACASA-N 0 3 207.317 3.338 20 0 BGADHN C[C@H](CC1CCCC1)NCc1ccco1 ZINC000125544326 388672746 /nfs/dbraw/zinc/67/27/46/388672746.db2.gz LUCJMMUPYHRMOD-LLVKDONJSA-N 0 3 207.317 3.338 20 0 BGADHN Cc1cc(CN[C@@H]2CCCC[C@@H]2C(C)C)on1 ZINC000125559618 388673377 /nfs/dbraw/zinc/67/33/77/388673377.db2.gz DEQYUWXARYWFRU-ZIAGYGMSSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1cc(CN[C@H]2CCCC[C@@H]2C(C)C)on1 ZINC000125559798 388673739 /nfs/dbraw/zinc/67/37/39/388673739.db2.gz DEQYUWXARYWFRU-KGLIPLIRSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1cc(CN[C@@H]2CCCC[C@H]2C(C)C)on1 ZINC000125560069 388673284 /nfs/dbraw/zinc/67/32/84/388673284.db2.gz DEQYUWXARYWFRU-UONOGXRCSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1cc(CN[C@H]2CCCC[C@H]2C(C)C)on1 ZINC000125560281 388673725 /nfs/dbraw/zinc/67/37/25/388673725.db2.gz DEQYUWXARYWFRU-KBPBESRZSA-N 0 3 236.359 3.287 20 0 BGADHN C[C@@H](CC1CCCC1)NCc1cscn1 ZINC000125578218 388673107 /nfs/dbraw/zinc/67/31/07/388673107.db2.gz WUQIEXIIMUSGDX-JTQLQIEISA-N 0 3 224.373 3.202 20 0 BGADHN C[C@H](CC1CCCC1)NCc1cscn1 ZINC000125578452 388673325 /nfs/dbraw/zinc/67/33/25/388673325.db2.gz WUQIEXIIMUSGDX-SNVBAGLBSA-N 0 3 224.373 3.202 20 0 BGADHN CCN(CC)[C@@H](C)c1ccc(F)cc1F ZINC000125585954 387661631 /nfs/dbraw/zinc/66/16/31/387661631.db2.gz BDDKJPLZUOWNMX-VIFPVBQESA-N 0 3 213.271 3.368 20 0 BGADHN CCN(CC)[C@H](C)c1ccc(F)cc1F ZINC000125586171 387660242 /nfs/dbraw/zinc/66/02/42/387660242.db2.gz BDDKJPLZUOWNMX-SECBINFHSA-N 0 3 213.271 3.368 20 0 BGADHN CC(C)c1csc(CNCC(C)(C)C)n1 ZINC000125588329 490083479 /nfs/dbraw/zinc/08/34/79/490083479.db2.gz GRKYSQQUNJIWEE-UHFFFAOYSA-N 0 3 226.389 3.402 20 0 BGADHN CCCC[C@@H]1CCC[C@@H]1NCc1cc(C)no1 ZINC000125598729 384735507 /nfs/dbraw/zinc/73/55/07/384735507.db2.gz LZIZCXNGOSIEHG-OCCSQVGLSA-N 0 3 236.359 3.432 20 0 BGADHN CCCC[C@H]1CCC[C@@H]1NCc1cc(C)no1 ZINC000125598977 343640710 /nfs/dbraw/zinc/64/07/10/343640710.db2.gz LZIZCXNGOSIEHG-JSGCOSHPSA-N 0 3 236.359 3.432 20 0 BGADHN CCCC[C@@H]1CCC[C@H]1NCc1cc(C)no1 ZINC000125599221 343640812 /nfs/dbraw/zinc/64/08/12/343640812.db2.gz LZIZCXNGOSIEHG-TZMCWYRMSA-N 0 3 236.359 3.432 20 0 BGADHN CCCC[C@H]1CCC[C@H]1NCc1cc(C)no1 ZINC000125599409 343640855 /nfs/dbraw/zinc/64/08/55/343640855.db2.gz LZIZCXNGOSIEHG-GXTWGEPZSA-N 0 3 236.359 3.432 20 0 BGADHN CCC[C@@H](CC)[NH2+]Cc1ccc([O-])c(F)c1 ZINC000125599421 590172193 /nfs/dbraw/zinc/17/21/93/590172193.db2.gz YCOHLQQUFWHDRL-LLVKDONJSA-N 0 3 225.307 3.200 20 0 BGADHN CCC[C@H](CC)[NH2+]Cc1ccc([O-])c(F)c1 ZINC000125599615 590172188 /nfs/dbraw/zinc/17/21/88/590172188.db2.gz YCOHLQQUFWHDRL-NSHDSACASA-N 0 3 225.307 3.200 20 0 BGADHN Cc1cc(CN[C@H](C)Cc2ccccc2C)on1 ZINC000125615876 491129159 /nfs/dbraw/zinc/12/91/59/491129159.db2.gz WDTHSMLTLWHPCX-GFCCVEGCSA-N 0 3 244.338 3.012 20 0 BGADHN Cc1cc(CN[C@@H](C)Cc2ccccc2C)on1 ZINC000125616103 490255717 /nfs/dbraw/zinc/25/57/17/490255717.db2.gz WDTHSMLTLWHPCX-LBPRGKRZSA-N 0 3 244.338 3.012 20 0 BGADHN CCC[C@@H](C)[C@@H](CC)NCc1cc(C)no1 ZINC000125620791 169372438 /nfs/dbraw/zinc/37/24/38/169372438.db2.gz PCICVTSAVYCSMS-ZWNOBZJWSA-N 0 3 224.348 3.287 20 0 BGADHN CCC[C@H](C)[C@@H](CC)NCc1cc(C)no1 ZINC000125620998 386287348 /nfs/dbraw/zinc/28/73/48/386287348.db2.gz PCICVTSAVYCSMS-GXFFZTMASA-N 0 3 224.348 3.287 20 0 BGADHN CCC[C@@H](C)[C@H](CC)NCc1cc(C)no1 ZINC000125621144 169372970 /nfs/dbraw/zinc/37/29/70/169372970.db2.gz PCICVTSAVYCSMS-MFKMUULPSA-N 0 3 224.348 3.287 20 0 BGADHN CCC[C@H](C)[C@H](CC)NCc1cc(C)no1 ZINC000125621366 386287940 /nfs/dbraw/zinc/28/79/40/386287940.db2.gz PCICVTSAVYCSMS-GWCFXTLKSA-N 0 3 224.348 3.287 20 0 BGADHN CCN(Cc1cc(F)cc(F)c1)CC1CC1 ZINC000125623643 358542733 /nfs/dbraw/zinc/54/27/33/358542733.db2.gz CBNMZCLPMXPQKO-UHFFFAOYSA-N 0 3 225.282 3.197 20 0 BGADHN CCCn1nc(C)c(CN(CC)CC2CC2)c1C ZINC000125626258 387661580 /nfs/dbraw/zinc/66/15/80/387661580.db2.gz HMWWPSYXZWPFEF-UHFFFAOYSA-N 0 3 249.402 3.142 20 0 BGADHN CCN(Cc1cnc(C(C)C)s1)CC1CC1 ZINC000125627978 358542639 /nfs/dbraw/zinc/54/26/39/358542639.db2.gz UURHWYDKZMIMBV-UHFFFAOYSA-N 0 3 238.400 3.498 20 0 BGADHN CC(C)c1csc(CNC2CCCC2)n1 ZINC000125643795 590176310 /nfs/dbraw/zinc/17/63/10/590176310.db2.gz KKMHIMKJVVBDPY-UHFFFAOYSA-N 0 3 224.373 3.299 20 0 BGADHN CCc1ccc(CN(CC)CC2CC2)o1 ZINC000125647439 387662969 /nfs/dbraw/zinc/66/29/69/387662969.db2.gz SANLDJNZNSOROV-UHFFFAOYSA-N 0 3 207.317 3.074 20 0 BGADHN CCC(CC)c1cc(CNC(C)C)on1 ZINC000125653769 386289538 /nfs/dbraw/zinc/28/95/38/386289538.db2.gz BQZQGAIHMRBNFQ-UHFFFAOYSA-N 0 3 210.321 3.076 20 0 BGADHN CCN(Cc1cc(F)c(F)c(F)c1)CC1CC1 ZINC000125654204 358543259 /nfs/dbraw/zinc/54/32/59/358543259.db2.gz FDJQCPYNBCWSLY-UHFFFAOYSA-N 0 3 243.272 3.336 20 0 BGADHN CCC[C@@H](CC)NCc1ncc(C)s1 ZINC000125657200 169379288 /nfs/dbraw/zinc/37/92/88/169379288.db2.gz JAWSSDNPPNVMPO-SNVBAGLBSA-N 0 3 212.362 3.120 20 0 BGADHN CCC[C@H](CC)NCc1ncc(C)s1 ZINC000125657440 187328772 /nfs/dbraw/zinc/32/87/72/187328772.db2.gz JAWSSDNPPNVMPO-JTQLQIEISA-N 0 3 212.362 3.120 20 0 BGADHN CCC[C@@H](CC)NCc1ncc(CC)s1 ZINC000125666244 169379897 /nfs/dbraw/zinc/37/98/97/169379897.db2.gz GJFKIMHMQMRLFP-SNVBAGLBSA-N 0 3 226.389 3.374 20 0 BGADHN CCC[C@H](CC)NCc1ncc(CC)s1 ZINC000125666539 386285054 /nfs/dbraw/zinc/28/50/54/386285054.db2.gz GJFKIMHMQMRLFP-JTQLQIEISA-N 0 3 226.389 3.374 20 0 BGADHN CCN(Cc1cnc(C2CC2)s1)CC1CC1 ZINC000125673390 388674805 /nfs/dbraw/zinc/67/48/05/388674805.db2.gz LFUGTNPYHLXDNQ-UHFFFAOYSA-N 0 3 236.384 3.252 20 0 BGADHN CCN(Cc1cc(F)c(F)cc1F)CC1CC1 ZINC000125674669 358542888 /nfs/dbraw/zinc/54/28/88/358542888.db2.gz YPMAUMXECLWRNC-UHFFFAOYSA-N 0 3 243.272 3.336 20 0 BGADHN CC[C@@H]1CCN(Cc2ccccc2F)C1 ZINC000125683357 171010667 /nfs/dbraw/zinc/01/06/67/171010667.db2.gz LEHGEGLXLPMTQI-LLVKDONJSA-N 0 3 207.292 3.058 20 0 BGADHN CC[C@H]1CCN(Cc2ccccc2F)C1 ZINC000125683572 387663753 /nfs/dbraw/zinc/66/37/53/387663753.db2.gz LEHGEGLXLPMTQI-NSHDSACASA-N 0 3 207.292 3.058 20 0 BGADHN CCC[C@@H](CC)N[C@@H](COC)c1ccc(C)o1 ZINC000125689211 169380759 /nfs/dbraw/zinc/38/07/59/169380759.db2.gz MRJHGCKZVNLCIG-OLZOCXBDSA-N 0 3 239.359 3.444 20 0 BGADHN CCC[C@H](CC)N[C@@H](COC)c1ccc(C)o1 ZINC000125689413 188084893 /nfs/dbraw/zinc/08/48/93/188084893.db2.gz MRJHGCKZVNLCIG-STQMWFEESA-N 0 3 239.359 3.444 20 0 BGADHN CCC[C@@H](CC)N[C@H](COC)c1ccc(C)o1 ZINC000125689629 169380196 /nfs/dbraw/zinc/38/01/96/169380196.db2.gz MRJHGCKZVNLCIG-CHWSQXEVSA-N 0 3 239.359 3.444 20 0 BGADHN CCC[C@H](CC)N[C@H](COC)c1ccc(C)o1 ZINC000125689880 387663778 /nfs/dbraw/zinc/66/37/78/387663778.db2.gz MRJHGCKZVNLCIG-QWHCGFSZSA-N 0 3 239.359 3.444 20 0 BGADHN Cc1cccc(C(C)(C)NCc2ccn(C)c2)c1 ZINC000125693302 179028133 /nfs/dbraw/zinc/02/81/33/179028133.db2.gz GBASUGVZGJMOBJ-UHFFFAOYSA-N 0 3 242.366 3.358 20 0 BGADHN c1ncc(CN2CCCC3(CCCCC3)C2)cn1 ZINC000125702006 490440182 /nfs/dbraw/zinc/44/01/82/490440182.db2.gz QIPFYSHZNNOEJV-UHFFFAOYSA-N 0 3 245.370 3.023 20 0 BGADHN Cc1n[nH]cc1CN1CCCC2(CCCCC2)C1 ZINC000125711701 387662531 /nfs/dbraw/zinc/66/25/31/387662531.db2.gz TWLBFVGOPVVDOO-UHFFFAOYSA-N 0 3 247.386 3.264 20 0 BGADHN Cc1cc(CNC(C)(C)CC(C)(C)C)no1 ZINC000125721209 178017627 /nfs/dbraw/zinc/01/76/27/178017627.db2.gz XYTMPXCUKRPFFB-UHFFFAOYSA-N 0 3 224.348 3.287 20 0 BGADHN Cn1ccc(CNC(C)(C)c2cccc(F)c2)c1 ZINC000125731864 388675994 /nfs/dbraw/zinc/67/59/94/388675994.db2.gz JDBWJKAHJZKFRJ-UHFFFAOYSA-N 0 3 246.329 3.189 20 0 BGADHN Cc1ccc(CNC(C)C)c(OCC2CC2)c1 ZINC000125750364 343654766 /nfs/dbraw/zinc/65/47/66/343654766.db2.gz ZMDUNHBMNYDEQB-UHFFFAOYSA-N 0 3 233.355 3.282 20 0 BGADHN CCCOc1cc(C)ccc1CNC(C)C ZINC000125755163 324652320 /nfs/dbraw/zinc/65/23/20/324652320.db2.gz QKPQFHJDTYRFNU-UHFFFAOYSA-N 0 3 221.344 3.282 20 0 BGADHN Cc1ccc(CNC(C)C)c(OC(C)C)c1 ZINC000125755410 388676259 /nfs/dbraw/zinc/67/62/59/388676259.db2.gz VWDCTRSMPJEYNV-UHFFFAOYSA-N 0 3 221.344 3.280 20 0 BGADHN Cc1cc(C)nc(NC[C@H]2CC=CCC2)c1 ZINC000125762999 324652703 /nfs/dbraw/zinc/65/27/03/324652703.db2.gz ABRODMHEUTZFOE-ZDUSSCGKSA-N 0 3 216.328 3.467 20 0 BGADHN Cc1cc(C)nc(NC[C@@H]2CC=CCC2)c1 ZINC000125763197 388676733 /nfs/dbraw/zinc/67/67/33/388676733.db2.gz ABRODMHEUTZFOE-CYBMUJFWSA-N 0 3 216.328 3.467 20 0 BGADHN Fc1cccnc1CNC1CCCCCC1 ZINC000125770302 343174299 /nfs/dbraw/zinc/17/42/99/343174299.db2.gz VUUJCQFKRYQVCF-UHFFFAOYSA-N 0 3 222.307 3.033 20 0 BGADHN CC1(C)CC[C@H]([NH2+]Cc2cc([O-])cc(F)c2)C1 ZINC000125791378 187569320 /nfs/dbraw/zinc/56/93/20/187569320.db2.gz XCKJXYCWTUFFOT-LBPRGKRZSA-N 0 3 237.318 3.200 20 0 BGADHN CC1(C)CC[C@@H]([NH2+]Cc2cc([O-])cc(F)c2)C1 ZINC000125791611 358544117 /nfs/dbraw/zinc/54/41/17/358544117.db2.gz XCKJXYCWTUFFOT-GFCCVEGCSA-N 0 3 237.318 3.200 20 0 BGADHN Cc1ccoc1CNCC1(C2CC2)CCC1 ZINC000125793642 388678273 /nfs/dbraw/zinc/67/82/73/388678273.db2.gz OWJTXALWTOMVLU-UHFFFAOYSA-N 0 3 219.328 3.258 20 0 BGADHN Cc1ccc(CNCC2(C3CC3)CCC2)o1 ZINC000125800223 388678261 /nfs/dbraw/zinc/67/82/61/388678261.db2.gz RJSOMCDDTRTQQB-UHFFFAOYSA-N 0 3 219.328 3.258 20 0 BGADHN CCCCN(C)Cc1ccc(Br)o1 ZINC000125819632 388678435 /nfs/dbraw/zinc/67/84/35/388678435.db2.gz RGMBLMMAQZKTGQ-UHFFFAOYSA-N 0 3 246.148 3.274 20 0 BGADHN COCCN(C)[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000125821790 388678408 /nfs/dbraw/zinc/67/84/08/388678408.db2.gz WKORFWPJRWGKSE-VIFPVBQESA-N 0 3 245.725 3.118 20 0 BGADHN COCCN(C)[C@H](C)c1ccc(F)c(Cl)c1 ZINC000125822006 388677617 /nfs/dbraw/zinc/67/76/17/388677617.db2.gz WKORFWPJRWGKSE-SECBINFHSA-N 0 3 245.725 3.118 20 0 BGADHN CCc1ccc(CNCC2(C3CC3)CC2)o1 ZINC000125851084 388679251 /nfs/dbraw/zinc/67/92/51/388679251.db2.gz OFSASNKELUGLPG-UHFFFAOYSA-N 0 3 219.328 3.122 20 0 BGADHN Clc1ccc(CNCC2(C3CC3)CC2)o1 ZINC000125852823 387665888 /nfs/dbraw/zinc/66/58/88/387665888.db2.gz HBFSZFJQCJXRKU-UHFFFAOYSA-N 0 3 225.719 3.213 20 0 BGADHN COc1ccccc1CN(C)CC1CCCC1 ZINC000125855739 411405184 /nfs/dbraw/zinc/40/51/84/411405184.db2.gz WHYDEFATUOYPJD-UHFFFAOYSA-N 0 3 233.355 3.317 20 0 BGADHN Fc1ccccc1CNCC1(C2CC2)CC1 ZINC000125861466 181011215 /nfs/dbraw/zinc/01/12/15/181011215.db2.gz DTLLYWIPQVEUOR-UHFFFAOYSA-N 0 3 219.303 3.106 20 0 BGADHN CC(C)NCc1ccccc1OC1CCC1 ZINC000125905196 388681031 /nfs/dbraw/zinc/68/10/31/388681031.db2.gz ARJCAVXGGFWPNP-UHFFFAOYSA-N 0 3 219.328 3.116 20 0 BGADHN CC[C@@H](C)N[C@@H]1CCc2c1c(F)ccc2F ZINC000125923623 387668870 /nfs/dbraw/zinc/66/88/70/387668870.db2.gz YGRGPXATXXAHTN-PRHODGIISA-N 0 3 225.282 3.340 20 0 BGADHN CC[C@H](C)N[C@@H]1CCc2c1c(F)ccc2F ZINC000125923831 171347026 /nfs/dbraw/zinc/34/70/26/171347026.db2.gz YGRGPXATXXAHTN-QPUJVOFHSA-N 0 3 225.282 3.340 20 0 BGADHN CC[C@@H](C)N[C@H]1CCc2c1c(F)ccc2F ZINC000125924014 387668391 /nfs/dbraw/zinc/66/83/91/387668391.db2.gz YGRGPXATXXAHTN-PELKAZGASA-N 0 3 225.282 3.340 20 0 BGADHN CC[C@H](C)N[C@H]1CCc2c1c(F)ccc2F ZINC000125924229 171349187 /nfs/dbraw/zinc/34/91/87/171349187.db2.gz YGRGPXATXXAHTN-UFBFGSQYSA-N 0 3 225.282 3.340 20 0 BGADHN CCCCN[C@@H]1CCc2c1c(F)ccc2F ZINC000125925329 388682525 /nfs/dbraw/zinc/68/25/25/388682525.db2.gz QJCBIQCVNLEPKL-GFCCVEGCSA-N 0 3 225.282 3.342 20 0 BGADHN CCCCN[C@H]1CCc2c1c(F)ccc2F ZINC000125925614 323002180 /nfs/dbraw/zinc/00/21/80/323002180.db2.gz QJCBIQCVNLEPKL-LBPRGKRZSA-N 0 3 225.282 3.342 20 0 BGADHN CC(C)CN[C@@H]1CCc2c1c(F)ccc2F ZINC000125926368 167011804 /nfs/dbraw/zinc/01/18/04/167011804.db2.gz DZJLSFLLLOSEIT-GFCCVEGCSA-N 0 3 225.282 3.198 20 0 BGADHN CC(C)CN[C@H]1CCc2c1c(F)ccc2F ZINC000125926623 167015269 /nfs/dbraw/zinc/01/52/69/167015269.db2.gz DZJLSFLLLOSEIT-LBPRGKRZSA-N 0 3 225.282 3.198 20 0 BGADHN C[C@@H](Cc1ccc(O)cc1)N(C)C/C=C/Cl ZINC000125980212 590202144 /nfs/dbraw/zinc/20/21/44/590202144.db2.gz IWNIRUFKDKYQMW-AEBAWRHJSA-N 0 3 239.746 3.008 20 0 BGADHN C[C@H](Cc1ccc(O)cc1)N(C)C/C=C/Cl ZINC000125980402 590202354 /nfs/dbraw/zinc/20/23/54/590202354.db2.gz IWNIRUFKDKYQMW-TXGYYHNKSA-N 0 3 239.746 3.008 20 0 BGADHN C[C@@H](c1ccccc1F)N(C)CC1CC1 ZINC000125983644 388684899 /nfs/dbraw/zinc/68/48/99/388684899.db2.gz JZCOVDCHTYSGIW-JTQLQIEISA-N 0 3 207.292 3.229 20 0 BGADHN C[C@H](c1ccccc1F)N(C)CC1CC1 ZINC000125983877 388684815 /nfs/dbraw/zinc/68/48/15/388684815.db2.gz JZCOVDCHTYSGIW-SNVBAGLBSA-N 0 3 207.292 3.229 20 0 BGADHN CCc1ncc(CNCCC2=CCCC2)s1 ZINC000125988591 172019530 /nfs/dbraw/zinc/01/95/30/172019530.db2.gz SWNNXZIUBOZIBJ-UHFFFAOYSA-N 0 3 236.384 3.296 20 0 BGADHN CCCCCN[C@@H](C)c1ncc(C)s1 ZINC000126004083 384727368 /nfs/dbraw/zinc/72/73/68/384727368.db2.gz LYRIUDNPZCOBJL-JTQLQIEISA-N 0 3 212.362 3.292 20 0 BGADHN CCCCCN[C@H](C)c1ncc(C)s1 ZINC000126004272 384728672 /nfs/dbraw/zinc/72/86/72/384728672.db2.gz LYRIUDNPZCOBJL-SNVBAGLBSA-N 0 3 212.362 3.292 20 0 BGADHN Cc1cnc([C@@H](C)NCCC(C)C)s1 ZINC000126012245 384728201 /nfs/dbraw/zinc/72/82/01/384728201.db2.gz ISHAZCHWFQUNPT-SNVBAGLBSA-N 0 3 212.362 3.148 20 0 BGADHN Cc1cnc([C@H](C)NCCC(C)C)s1 ZINC000126012479 384726504 /nfs/dbraw/zinc/72/65/04/384726504.db2.gz ISHAZCHWFQUNPT-JTQLQIEISA-N 0 3 212.362 3.148 20 0 BGADHN c1cc(CNC[C@@H]2CSc3ccccc32)co1 ZINC000126016726 590215283 /nfs/dbraw/zinc/21/52/83/590215283.db2.gz QYSOFPBKXMHRHS-GFCCVEGCSA-N 0 3 245.347 3.259 20 0 BGADHN c1cc(CNC[C@H]2CSc3ccccc32)co1 ZINC000126016940 590214867 /nfs/dbraw/zinc/21/48/67/590214867.db2.gz QYSOFPBKXMHRHS-LBPRGKRZSA-N 0 3 245.347 3.259 20 0 BGADHN CCOc1cc(Cl)ccc1CNC(C)C ZINC000126037748 324676969 /nfs/dbraw/zinc/67/69/69/324676969.db2.gz MNKSRXNCVVIHMH-UHFFFAOYSA-N 0 3 227.735 3.237 20 0 BGADHN Cc1cccc([C@H](NC(C)C)c2ccccn2)c1 ZINC000126096016 179201938 /nfs/dbraw/zinc/20/19/38/179201938.db2.gz BUTQPODHMITUGO-INIZCTEOSA-N 0 3 240.350 3.477 20 0 BGADHN Cc1cccc([C@@H](NC(C)C)c2ccccn2)c1 ZINC000126096228 179186394 /nfs/dbraw/zinc/18/63/94/179186394.db2.gz BUTQPODHMITUGO-MRXNPFEDSA-N 0 3 240.350 3.477 20 0 BGADHN CCC(CC)NCc1ccc(Cl)cn1 ZINC000126132028 590236603 /nfs/dbraw/zinc/23/66/03/590236603.db2.gz TXQUZVNYGDKNBC-UHFFFAOYSA-N 0 3 212.724 3.013 20 0 BGADHN CCC[C@@H](CC)NCc1ccc(Cl)cn1 ZINC000126149673 590238905 /nfs/dbraw/zinc/23/89/05/590238905.db2.gz AOPHPJRPOZFCBM-LLVKDONJSA-N 0 3 226.751 3.403 20 0 BGADHN CCC[C@H](CC)NCc1ccc(Cl)cn1 ZINC000126149952 590239191 /nfs/dbraw/zinc/23/91/91/590239191.db2.gz AOPHPJRPOZFCBM-NSHDSACASA-N 0 3 226.751 3.403 20 0 BGADHN Cc1ccc(F)c(CNC2(C)CCC2)c1 ZINC000126162762 324683548 /nfs/dbraw/zinc/68/35/48/324683548.db2.gz MCPVGWWVGSJPBQ-UHFFFAOYSA-N 0 3 207.292 3.166 20 0 BGADHN c1c2ccccc2sc1CN1CCSCC1 ZINC000126178693 388691355 /nfs/dbraw/zinc/69/13/55/388691355.db2.gz ZPCDNOPAYYTBFH-UHFFFAOYSA-N 0 3 249.404 3.450 20 0 BGADHN COC[C@H](C)NCc1ccc(C(C)(C)C)s1 ZINC000126183708 411421421 /nfs/dbraw/zinc/42/14/21/411421421.db2.gz BIUCVXMNFAQSRL-JTQLQIEISA-N 0 3 241.400 3.170 20 0 BGADHN COC[C@@H](C)NCc1ccc(C(C)(C)C)s1 ZINC000126183933 324685578 /nfs/dbraw/zinc/68/55/78/324685578.db2.gz BIUCVXMNFAQSRL-SNVBAGLBSA-N 0 3 241.400 3.170 20 0 BGADHN Cc1cccc(C)c1CNCCC(F)(F)F ZINC000126189608 179036608 /nfs/dbraw/zinc/03/66/08/179036608.db2.gz OCSJKELMGPXVDU-UHFFFAOYSA-N 0 3 231.261 3.345 20 0 BGADHN Cc1oc2ccccc2c1CN1CCSCC1 ZINC000126200013 324686514 /nfs/dbraw/zinc/68/65/14/324686514.db2.gz UDHSEKBPWVTOKU-UHFFFAOYSA-N 0 3 247.363 3.290 20 0 BGADHN C/C(=C/c1ccccc1)CN1CCSCC1 ZINC000126206450 388692642 /nfs/dbraw/zinc/69/26/42/388692642.db2.gz GVCHRCVHRUEUKV-QBFSEMIESA-N 0 3 233.380 3.139 20 0 BGADHN CCN(C)Cc1ccc(-c2ccccc2)o1 ZINC000126245730 388692205 /nfs/dbraw/zinc/69/22/05/388692205.db2.gz JLVGCKZGCFMLDQ-UHFFFAOYSA-N 0 3 215.296 3.398 20 0 BGADHN COc1c(C)cc(CN(C)CCCF)cc1C ZINC000126249657 387677668 /nfs/dbraw/zinc/67/76/68/387677668.db2.gz MKBKAHJRNLZKDZ-UHFFFAOYSA-N 0 3 239.334 3.103 20 0 BGADHN CCN(C)Cc1cc2cc(F)ccc2o1 ZINC000126252618 388692873 /nfs/dbraw/zinc/69/28/73/388692873.db2.gz RDKAOVIAKAHSGW-UHFFFAOYSA-N 0 3 207.248 3.024 20 0 BGADHN CCN(C)Cc1ccccc1OC1CCCC1 ZINC000126254543 383901535 /nfs/dbraw/zinc/90/15/35/383901535.db2.gz GAFSMKIEYHVOLF-UHFFFAOYSA-N 0 3 233.355 3.460 20 0 BGADHN CCN(C)Cc1c(OC)ccc2ccccc21 ZINC000126255599 388692707 /nfs/dbraw/zinc/69/27/07/388692707.db2.gz PEIYFFFHQVQUKH-UHFFFAOYSA-N 0 3 229.323 3.300 20 0 BGADHN CCN(C)Cc1cccc(OC2CCCC2)c1 ZINC000126261593 388692758 /nfs/dbraw/zinc/69/27/58/388692758.db2.gz CLIJLZWIMKLIPX-UHFFFAOYSA-N 0 3 233.355 3.460 20 0 BGADHN CCNCc1ccc(Cl)cc1Br ZINC000126265326 170126721 /nfs/dbraw/zinc/12/67/21/170126721.db2.gz JPUJFTNQLSSGKU-UHFFFAOYSA-N 0 3 248.551 3.212 20 0 BGADHN CCN(C)Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000126279066 388694110 /nfs/dbraw/zinc/69/41/10/388694110.db2.gz YSECQQPADCAXSW-UHFFFAOYSA-N 0 3 249.745 3.182 20 0 BGADHN CCN(C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000126280340 388694062 /nfs/dbraw/zinc/69/40/62/388694062.db2.gz CXJMBLZVILQZIX-UHFFFAOYSA-N 0 3 235.224 3.296 20 0 BGADHN CCN(C)Cc1cc(C)c(Br)s1 ZINC000126284058 387676464 /nfs/dbraw/zinc/67/64/64/387676464.db2.gz RROBNDYSQIQVSM-UHFFFAOYSA-N 0 3 248.189 3.271 20 0 BGADHN CCN(C)Cc1cnc(-c2ccsc2)s1 ZINC000126284345 388693510 /nfs/dbraw/zinc/69/35/10/388693510.db2.gz BIIHAFIKQQHAOH-UHFFFAOYSA-N 0 3 238.381 3.323 20 0 BGADHN CCN(C)Cc1c(C)oc2ccccc21 ZINC000126286335 388693805 /nfs/dbraw/zinc/69/38/05/388693805.db2.gz PXBAPMIPULHUFA-UHFFFAOYSA-N 0 3 203.285 3.193 20 0 BGADHN CCN(C)Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000126296874 384787163 /nfs/dbraw/zinc/78/71/63/384787163.db2.gz ROSULNHKAKDXMN-UHFFFAOYSA-N 0 3 249.745 3.182 20 0 BGADHN CCN(C)Cc1ccc(C(C)(C)C)s1 ZINC000126297033 388693695 /nfs/dbraw/zinc/69/36/95/388693695.db2.gz JHCMDYGUWSJYJF-UHFFFAOYSA-N 0 3 211.374 3.497 20 0 BGADHN CCN(C)Cc1cc(F)cc(C(F)(F)F)c1 ZINC000126297510 388693598 /nfs/dbraw/zinc/69/35/98/388693598.db2.gz NHRSQKGSPXFKCC-UHFFFAOYSA-N 0 3 235.224 3.296 20 0 BGADHN CCOc1ccccc1C1=CCN(CC)CC1 ZINC000126304182 387680328 /nfs/dbraw/zinc/68/03/28/387680328.db2.gz NFAPLYNQHAYDCZ-UHFFFAOYSA-N 0 3 231.339 3.194 20 0 BGADHN CCN(C)Cc1ccc(CSC(F)F)o1 ZINC000126308225 384786411 /nfs/dbraw/zinc/78/64/11/384786411.db2.gz UQWNVGYCDGSLAH-UHFFFAOYSA-N 0 3 235.299 3.187 20 0 BGADHN CCN(C)Cc1cc(C)c(C)cc1OC(F)F ZINC000126315322 388693398 /nfs/dbraw/zinc/69/33/98/388693398.db2.gz RIODKPHKXPPTBT-UHFFFAOYSA-N 0 3 243.297 3.357 20 0 BGADHN CCN(C)Cc1ccc(OC(F)F)c(Cl)c1 ZINC000126324396 384791481 /nfs/dbraw/zinc/79/14/81/384791481.db2.gz GYSMMRGXMIQLLC-UHFFFAOYSA-N 0 3 249.688 3.393 20 0 BGADHN CC(C)CSCCCNCc1ccoc1 ZINC000126325390 590281029 /nfs/dbraw/zinc/28/10/29/590281029.db2.gz UCVHEEWJLUUIFY-UHFFFAOYSA-N 0 3 227.373 3.149 20 0 BGADHN CCN(C)Cc1ccc(F)cc1C(F)(F)F ZINC000126325987 323003342 /nfs/dbraw/zinc/00/33/42/323003342.db2.gz KRUDYZXXWVXHHB-UHFFFAOYSA-N 0 3 235.224 3.296 20 0 BGADHN Cc1ccoc1CNCCSCC(C)C ZINC000126337616 384772131 /nfs/dbraw/zinc/77/21/31/384772131.db2.gz ZWTHEGNDMCNUIV-UHFFFAOYSA-N 0 3 227.373 3.067 20 0 BGADHN Cc1ccc(CNCCSCC(C)C)o1 ZINC000126341190 398282385 /nfs/dbraw/zinc/28/23/85/398282385.db2.gz ITPOOUCXNBWYDB-UHFFFAOYSA-N 0 3 227.373 3.067 20 0 BGADHN CCc1ccc(CNCCSCC(C)C)o1 ZINC000126342581 387679818 /nfs/dbraw/zinc/67/98/18/387679818.db2.gz ZRGNOCOFTGFROF-UHFFFAOYSA-N 0 3 241.400 3.321 20 0 BGADHN CCN(Cc1cc(F)cc(F)c1)C(C)C ZINC000126342785 388693375 /nfs/dbraw/zinc/69/33/75/388693375.db2.gz MYZMZLSBQYEEAE-UHFFFAOYSA-N 0 3 213.271 3.195 20 0 BGADHN CCN(Cc1cccc2c1OCCCO2)C(C)C ZINC000126343522 345115459 /nfs/dbraw/zinc/11/54/59/345115459.db2.gz SEGDMZUSUGZARJ-UHFFFAOYSA-N 0 3 249.354 3.078 20 0 BGADHN CCCn1nc(C)c(CN(CC)C(C)C)c1C ZINC000126344846 388694724 /nfs/dbraw/zinc/69/47/24/388694724.db2.gz IZHJRSKMCFVNSQ-UHFFFAOYSA-N 0 3 237.391 3.140 20 0 BGADHN CCN(Cc1cnc(C(C)C)s1)C(C)C ZINC000126346348 388694788 /nfs/dbraw/zinc/69/47/88/388694788.db2.gz PBXWQAZJBUXJKY-UHFFFAOYSA-N 0 3 226.389 3.497 20 0 BGADHN CCN(Cc1ncccc1C(F)(F)F)C(C)C ZINC000126347384 388694595 /nfs/dbraw/zinc/69/45/95/388694595.db2.gz IWBSGNCSAWWUJB-UHFFFAOYSA-N 0 3 246.276 3.331 20 0 BGADHN CC(C)CSCCNCc1ccc(Cl)o1 ZINC000126348713 398282903 /nfs/dbraw/zinc/28/29/03/398282903.db2.gz NJCIDZQJAPDTFY-UHFFFAOYSA-N 0 3 247.791 3.412 20 0 BGADHN CSCC[C@H](C)N(C)Cc1ccccc1F ZINC000126364333 387681183 /nfs/dbraw/zinc/68/11/83/387681183.db2.gz BMFOTLLOBFJNFN-NSHDSACASA-N 0 3 241.375 3.399 20 0 BGADHN CSCC[C@@H](C)N(C)Cc1ccccc1F ZINC000126364588 387680178 /nfs/dbraw/zinc/68/01/78/387680178.db2.gz BMFOTLLOBFJNFN-LLVKDONJSA-N 0 3 241.375 3.399 20 0 BGADHN C[C@H](NCC(C)(C)CO)c1cc2ccccc2o1 ZINC000126366695 490491109 /nfs/dbraw/zinc/49/11/09/490491109.db2.gz JEFGJBNWSAFCCY-NSHDSACASA-N 0 3 247.338 3.102 20 0 BGADHN C[C@@H](NCC(C)(C)CO)c1cc2ccccc2o1 ZINC000126366939 490491760 /nfs/dbraw/zinc/49/17/60/490491760.db2.gz JEFGJBNWSAFCCY-LLVKDONJSA-N 0 3 247.338 3.102 20 0 BGADHN CCN(Cc1cc(F)c(F)c(F)c1)C(C)C ZINC000126370866 388694974 /nfs/dbraw/zinc/69/49/74/388694974.db2.gz HOJKWLAAPLIXMT-UHFFFAOYSA-N 0 3 231.261 3.334 20 0 BGADHN CCSc1ccc([C@@H](C)NCCOC)cc1 ZINC000126379675 388695450 /nfs/dbraw/zinc/69/54/50/388695450.db2.gz MQUWVVZCSFBOEN-LLVKDONJSA-N 0 3 239.384 3.096 20 0 BGADHN CCSc1ccc([C@H](C)NCCOC)cc1 ZINC000126379884 324695355 /nfs/dbraw/zinc/69/53/55/324695355.db2.gz MQUWVVZCSFBOEN-NSHDSACASA-N 0 3 239.384 3.096 20 0 BGADHN CC(C)COc1cccc(CN2CCCC2)c1 ZINC000126387049 187232612 /nfs/dbraw/zinc/23/26/12/187232612.db2.gz CPDFLBNVXSJNGV-UHFFFAOYSA-N 0 3 233.355 3.317 20 0 BGADHN CCN(Cc1cnc(C2CC2)s1)C(C)C ZINC000126388560 388695404 /nfs/dbraw/zinc/69/54/04/388695404.db2.gz JBOKUMOUYXGYHL-UHFFFAOYSA-N 0 3 224.373 3.251 20 0 BGADHN CCN(Cc1cc(-c2ccccc2)n[nH]1)C(C)C ZINC000126395697 388695471 /nfs/dbraw/zinc/69/54/71/388695471.db2.gz BLJFICJMPWYRFL-UHFFFAOYSA-N 0 3 243.354 3.307 20 0 BGADHN CSCC[C@H](C)N(C)Cc1cccc(F)c1 ZINC000126447848 387683651 /nfs/dbraw/zinc/68/36/51/387683651.db2.gz DOYNHOOGZDRMAW-NSHDSACASA-N 0 3 241.375 3.399 20 0 BGADHN CSCC[C@@H](C)N(C)Cc1cccc(F)c1 ZINC000126448065 387684080 /nfs/dbraw/zinc/68/40/80/387684080.db2.gz DOYNHOOGZDRMAW-LLVKDONJSA-N 0 3 241.375 3.399 20 0 BGADHN Cc1ccoc1CN(C)CCc1ccccc1 ZINC000126461323 388696634 /nfs/dbraw/zinc/69/66/34/388696634.db2.gz AILZEVJDBBPFNS-UHFFFAOYSA-N 0 3 229.323 3.263 20 0 BGADHN Cc1ncccc1CN(C)CCc1ccccc1 ZINC000126466441 388696505 /nfs/dbraw/zinc/69/65/05/388696505.db2.gz BPCHTGWKEZEOAN-UHFFFAOYSA-N 0 3 240.350 3.065 20 0 BGADHN c1cc2cc(OCCN3CCCCC3)ccc2[nH]1 ZINC000126501362 183374209 /nfs/dbraw/zinc/37/42/09/183374209.db2.gz BNYXZPFDZPZTBK-UHFFFAOYSA-N 0 3 244.338 3.033 20 0 BGADHN CCOCCNCc1ccc(C(C)(C)C)s1 ZINC000126559805 388697335 /nfs/dbraw/zinc/69/73/35/388697335.db2.gz GIJOHEHWNSLDIA-UHFFFAOYSA-N 0 3 241.400 3.172 20 0 BGADHN CSCC[C@H](C)N(C)Cc1cnc(C)s1 ZINC000126572195 384809918 /nfs/dbraw/zinc/80/99/18/384809918.db2.gz VBYXKEZXPZQHFY-VIFPVBQESA-N 0 3 244.429 3.025 20 0 BGADHN CSCC[C@@H](C)N(C)Cc1cnc(C)s1 ZINC000126572406 384809965 /nfs/dbraw/zinc/80/99/65/384809965.db2.gz VBYXKEZXPZQHFY-SECBINFHSA-N 0 3 244.429 3.025 20 0 BGADHN Cc1ccoc1CNC1CCC(C)CC1 ZINC000126628586 384790759 /nfs/dbraw/zinc/79/07/59/384790759.db2.gz JSVBDICBXGTJPY-UHFFFAOYSA-N 0 3 207.317 3.256 20 0 BGADHN Cc1ccoc1CNCCC1CCCC1 ZINC000126645131 384792341 /nfs/dbraw/zinc/79/23/41/384792341.db2.gz XUBRKRAQUJKYAA-UHFFFAOYSA-N 0 3 207.317 3.258 20 0 BGADHN Cc1ccoc1CN[C@@H](C)Cc1cccs1 ZINC000126648865 384815915 /nfs/dbraw/zinc/81/59/15/384815915.db2.gz OCEGWHSODRXJPD-NSHDSACASA-N 0 3 235.352 3.370 20 0 BGADHN Cc1ccoc1CN[C@H](C)Cc1cccs1 ZINC000126649134 384816284 /nfs/dbraw/zinc/81/62/84/384816284.db2.gz OCEGWHSODRXJPD-LLVKDONJSA-N 0 3 235.352 3.370 20 0 BGADHN C[C@@H](CC(F)(F)F)N[C@@H](C)c1cccc(O)c1 ZINC000126653248 388699295 /nfs/dbraw/zinc/69/92/95/388699295.db2.gz JKNXLGHSDTXJQR-IUCAKERBSA-N 0 3 247.260 3.384 20 0 BGADHN C[C@H](CC(F)(F)F)N[C@@H](C)c1cccc(O)c1 ZINC000126653400 388699962 /nfs/dbraw/zinc/69/99/62/388699962.db2.gz JKNXLGHSDTXJQR-BDAKNGLRSA-N 0 3 247.260 3.384 20 0 BGADHN C[C@@H](N[C@@H](C)CC(F)(F)F)c1cccc(O)c1 ZINC000126653531 388699169 /nfs/dbraw/zinc/69/91/69/388699169.db2.gz JKNXLGHSDTXJQR-DTWKUNHWSA-N 0 3 247.260 3.384 20 0 BGADHN C[C@H](CC(F)(F)F)N[C@H](C)c1cccc(O)c1 ZINC000126653716 345130027 /nfs/dbraw/zinc/13/00/27/345130027.db2.gz JKNXLGHSDTXJQR-RKDXNWHRSA-N 0 3 247.260 3.384 20 0 BGADHN COc1ccc2oc(CNC3CC=CC3)cc2c1 ZINC000126693984 490513217 /nfs/dbraw/zinc/51/32/17/490513217.db2.gz JLCSMYPIEPVUBP-UHFFFAOYSA-N 0 3 243.306 3.250 20 0 BGADHN Cc1ccoc1CN[C@@H](C)Cc1ccsc1 ZINC000126699582 344027306 /nfs/dbraw/zinc/02/73/06/344027306.db2.gz LGCKKRZJSPHGLO-NSHDSACASA-N 0 3 235.352 3.370 20 0 BGADHN Cc1ccoc1CN[C@H](C)Cc1ccsc1 ZINC000126699801 398238110 /nfs/dbraw/zinc/23/81/10/398238110.db2.gz LGCKKRZJSPHGLO-LLVKDONJSA-N 0 3 235.352 3.370 20 0 BGADHN CN(Cc1cncnc1)C1CCCCCCC1 ZINC000126732532 590428543 /nfs/dbraw/zinc/42/85/43/590428543.db2.gz WJYBERDKBLYQNW-UHFFFAOYSA-N 0 3 233.359 3.021 20 0 BGADHN CCn1nccc1CN(C)C1CCCCCCC1 ZINC000126733369 590429275 /nfs/dbraw/zinc/42/92/75/590429275.db2.gz UUXCWUBJDLJEDR-UHFFFAOYSA-N 0 3 249.402 3.448 20 0 BGADHN COc1ccccc1[C@@H]1CCCN1CCCF ZINC000126754133 175348160 /nfs/dbraw/zinc/34/81/60/175348160.db2.gz GWAQMAXSWAVPLS-ZDUSSCGKSA-N 0 3 237.318 3.192 20 0 BGADHN COc1ccccc1[C@H]1CCCN1CCCF ZINC000126754368 175354004 /nfs/dbraw/zinc/35/40/04/175354004.db2.gz GWAQMAXSWAVPLS-CYBMUJFWSA-N 0 3 237.318 3.192 20 0 BGADHN CC(C)(C)[C@@H]1CCCN(Cc2cncnc2)CC1 ZINC000126763276 490515828 /nfs/dbraw/zinc/51/58/28/490515828.db2.gz AZNJBYXSEYIYGT-CQSZACIVSA-N 0 3 247.386 3.125 20 0 BGADHN CC(C)(C)[C@H]1CCCN(Cc2cncnc2)CC1 ZINC000126763520 490516157 /nfs/dbraw/zinc/51/61/57/490516157.db2.gz AZNJBYXSEYIYGT-AWEZNQCLSA-N 0 3 247.386 3.125 20 0 BGADHN Cc1ccoc1CNCC1(C)CCCC1 ZINC000126790026 384805172 /nfs/dbraw/zinc/80/51/72/384805172.db2.gz ZQLHQCULQIQXIR-UHFFFAOYSA-N 0 3 207.317 3.258 20 0 BGADHN CCSCC[C@@H](C)N(C)Cc1ccncc1 ZINC000126805942 384832626 /nfs/dbraw/zinc/83/26/26/384832626.db2.gz OLSSDOJNCLGMAW-GFCCVEGCSA-N 0 3 238.400 3.045 20 0 BGADHN CCSCC[C@H](C)N(C)Cc1ccncc1 ZINC000126806117 384833426 /nfs/dbraw/zinc/83/34/26/384833426.db2.gz OLSSDOJNCLGMAW-LBPRGKRZSA-N 0 3 238.400 3.045 20 0 BGADHN CC(C)c1ccc(CN2CCC(C)(O)CC2)cc1 ZINC000126809856 384833276 /nfs/dbraw/zinc/83/32/76/384833276.db2.gz DNQDHASNXLYALH-UHFFFAOYSA-N 0 3 247.382 3.157 20 0 BGADHN CCn1nccc1CN1CCC[C@H](C(C)C)CC1 ZINC000126818854 343714917 /nfs/dbraw/zinc/71/49/17/343714917.db2.gz ONJAOTGHKWJMCY-AWEZNQCLSA-N 0 3 249.402 3.161 20 0 BGADHN CCn1nccc1CN1CCC[C@@H](C(C)C)CC1 ZINC000126819080 345140738 /nfs/dbraw/zinc/14/07/38/345140738.db2.gz ONJAOTGHKWJMCY-CQSZACIVSA-N 0 3 249.402 3.161 20 0 BGADHN CCN(C/C=C/c1ccccc1)C[C@H]1CCCO1 ZINC000126835946 388706154 /nfs/dbraw/zinc/70/61/54/388706154.db2.gz TYTNZKXBYITFKG-VGZDNEPHSA-N 0 3 245.366 3.201 20 0 BGADHN CSC[C@H](C)N[C@@H](C)c1ccc(Cl)nc1 ZINC000126862618 384817814 /nfs/dbraw/zinc/81/78/14/384817814.db2.gz MQMOLQPFNYJNJU-IUCAKERBSA-N 0 3 244.791 3.137 20 0 BGADHN CSC[C@@H](C)N[C@@H](C)c1ccc(Cl)nc1 ZINC000126862855 384819111 /nfs/dbraw/zinc/81/91/11/384819111.db2.gz MQMOLQPFNYJNJU-BDAKNGLRSA-N 0 3 244.791 3.137 20 0 BGADHN CSC[C@H](C)N[C@H](C)c1ccc(Cl)nc1 ZINC000126863091 384819849 /nfs/dbraw/zinc/81/98/49/384819849.db2.gz MQMOLQPFNYJNJU-DTWKUNHWSA-N 0 3 244.791 3.137 20 0 BGADHN CSC[C@@H](C)N[C@H](C)c1ccc(Cl)nc1 ZINC000126863289 384819417 /nfs/dbraw/zinc/81/94/17/384819417.db2.gz MQMOLQPFNYJNJU-RKDXNWHRSA-N 0 3 244.791 3.137 20 0 BGADHN Cc1ccc(C(=O)CCN(C)C2CCC2)cc1 ZINC000126867618 188258383 /nfs/dbraw/zinc/25/83/83/188258383.db2.gz XMWJPLJMYRBLRE-UHFFFAOYSA-N 0 3 231.339 3.052 20 0 BGADHN Cc1cc(C)c(CNCC2=CCCOC2)c(C)c1 ZINC000126874028 387697912 /nfs/dbraw/zinc/69/79/12/387697912.db2.gz LAFDDELKRBJQCH-UHFFFAOYSA-N 0 3 245.366 3.048 20 0 BGADHN CC1(C)Cc2occc2[C@H](NCCCF)C1 ZINC000126875502 388707323 /nfs/dbraw/zinc/70/73/23/388707323.db2.gz XNBVCFOLRLXLNU-LLVKDONJSA-N 0 3 225.307 3.242 20 0 BGADHN CC1(C)Cc2occc2[C@@H](NCCCF)C1 ZINC000126875653 324728784 /nfs/dbraw/zinc/72/87/84/324728784.db2.gz XNBVCFOLRLXLNU-NSHDSACASA-N 0 3 225.307 3.242 20 0 BGADHN C[C@H](NCCCF)c1ccc(F)cc1Cl ZINC000126883915 384828368 /nfs/dbraw/zinc/82/83/68/384828368.db2.gz CFVFDOJNGPGBAB-QMMMGPOBSA-N 0 3 233.689 3.489 20 0 BGADHN C[C@@H](NCCCF)c1ccc(F)cc1Cl ZINC000126884183 175875540 /nfs/dbraw/zinc/87/55/40/175875540.db2.gz CFVFDOJNGPGBAB-MRVPVSSYSA-N 0 3 233.689 3.489 20 0 BGADHN FCCCN[C@@H]1CCSc2ccc(F)cc21 ZINC000126908670 388707894 /nfs/dbraw/zinc/70/78/94/388707894.db2.gz JYIXRLPIDOQWFQ-LLVKDONJSA-N 0 3 243.322 3.312 20 0 BGADHN FCCCN[C@H]1CCSc2ccc(F)cc21 ZINC000126908887 324732053 /nfs/dbraw/zinc/73/20/53/324732053.db2.gz JYIXRLPIDOQWFQ-NSHDSACASA-N 0 3 243.322 3.312 20 0 BGADHN COc1ccc(Cl)cc1[C@H](C)NCCCF ZINC000126911647 388708004 /nfs/dbraw/zinc/70/80/04/388708004.db2.gz MCLAMOLAIZUDQL-VIFPVBQESA-N 0 3 245.725 3.359 20 0 BGADHN COc1ccc(Cl)cc1[C@@H](C)NCCCF ZINC000126911911 384829257 /nfs/dbraw/zinc/82/92/57/384829257.db2.gz MCLAMOLAIZUDQL-SECBINFHSA-N 0 3 245.725 3.359 20 0 BGADHN Cc1ccc(CNCCC2=CCCCC2)nc1 ZINC000126924456 388708885 /nfs/dbraw/zinc/70/88/85/388708885.db2.gz DVCCGGKMDTXACO-UHFFFAOYSA-N 0 3 230.355 3.370 20 0 BGADHN CCOc1ccccc1[C@@H](C)NCCCF ZINC000126927057 170597693 /nfs/dbraw/zinc/59/76/93/170597693.db2.gz KCPSECPCDARWMW-LLVKDONJSA-N 0 3 225.307 3.096 20 0 BGADHN CCOc1ccccc1[C@H](C)NCCCF ZINC000126927301 384840564 /nfs/dbraw/zinc/84/05/64/384840564.db2.gz KCPSECPCDARWMW-NSHDSACASA-N 0 3 225.307 3.096 20 0 BGADHN Cc1ccc(CNCCCc2ccccc2)nc1 ZINC000126932772 324733352 /nfs/dbraw/zinc/73/33/52/324733352.db2.gz SMJRBRYWNHUTQE-UHFFFAOYSA-N 0 3 240.350 3.112 20 0 BGADHN FCCCN[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000126943816 387699178 /nfs/dbraw/zinc/69/91/78/387699178.db2.gz XHWXSRPFYCRILV-CYBMUJFWSA-N 0 3 249.329 3.382 20 0 BGADHN FCCCN[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000126944035 387701652 /nfs/dbraw/zinc/70/16/52/387701652.db2.gz XHWXSRPFYCRILV-ZDUSSCGKSA-N 0 3 249.329 3.382 20 0 BGADHN Cc1ccc(CNCCc2ccccc2C)nc1 ZINC000126947814 178608718 /nfs/dbraw/zinc/60/87/18/178608718.db2.gz DNNVTFAKWGVDNS-UHFFFAOYSA-N 0 3 240.350 3.031 20 0 BGADHN Cc1ccc(CN[C@@H](C)CCc2ccco2)nc1 ZINC000126949139 387699337 /nfs/dbraw/zinc/69/93/37/387699337.db2.gz XTXJTRQQNCGZSM-ZDUSSCGKSA-N 0 3 244.338 3.094 20 0 BGADHN Cc1ccc(CN[C@H](C)CCc2ccco2)nc1 ZINC000126949320 387701264 /nfs/dbraw/zinc/70/12/64/387701264.db2.gz XTXJTRQQNCGZSM-CYBMUJFWSA-N 0 3 244.338 3.094 20 0 BGADHN CC[C@@H](c1ccccc1)N1CCOC(C)(C)C1 ZINC000126962607 343718861 /nfs/dbraw/zinc/71/88/61/343718861.db2.gz MJSLPFVWEABMBO-AWEZNQCLSA-N 0 3 233.355 3.249 20 0 BGADHN CC[C@H](c1ccccc1)N1CCOC(C)(C)C1 ZINC000126962796 343718765 /nfs/dbraw/zinc/71/87/65/343718765.db2.gz MJSLPFVWEABMBO-CQSZACIVSA-N 0 3 233.355 3.249 20 0 BGADHN Cc1ccc(CNCCC2CCCCC2)nc1 ZINC000126963850 324733885 /nfs/dbraw/zinc/73/38/85/324733885.db2.gz KNNYEQAAMLZJFE-UHFFFAOYSA-N 0 3 232.371 3.450 20 0 BGADHN Cc1ccc(CN[C@@H](C)Cc2cccs2)nc1 ZINC000126964340 388709746 /nfs/dbraw/zinc/70/97/46/388709746.db2.gz WVBLIANXZCWQJP-LBPRGKRZSA-N 0 3 246.379 3.172 20 0 BGADHN Cc1ccc(CN[C@H](C)Cc2cccs2)nc1 ZINC000126964560 388709138 /nfs/dbraw/zinc/70/91/38/388709138.db2.gz WVBLIANXZCWQJP-GFCCVEGCSA-N 0 3 246.379 3.172 20 0 BGADHN CC[C@H](NCCCF)c1ccc(F)cc1F ZINC000126981906 384829484 /nfs/dbraw/zinc/82/94/84/384829484.db2.gz JGPGXOXMUUJIGG-LBPRGKRZSA-N 0 3 231.261 3.365 20 0 BGADHN CC[C@@H](NCCCF)c1ccc(F)cc1F ZINC000126982154 170893926 /nfs/dbraw/zinc/89/39/26/170893926.db2.gz JGPGXOXMUUJIGG-GFCCVEGCSA-N 0 3 231.261 3.365 20 0 BGADHN C[C@H](NCCCF)c1cc(F)c(F)c(F)c1 ZINC000126985713 344186660 /nfs/dbraw/zinc/18/66/60/344186660.db2.gz VQUJCDXDONONDS-ZETCQYMHSA-N 0 3 235.224 3.114 20 0 BGADHN C[C@@H](NCCCF)c1cc(F)c(F)c(F)c1 ZINC000126985937 344186603 /nfs/dbraw/zinc/18/66/03/344186603.db2.gz VQUJCDXDONONDS-SSDOTTSWSA-N 0 3 235.224 3.114 20 0 BGADHN CC[C@H](NCCCF)c1cc(F)ccc1F ZINC000126988170 384827279 /nfs/dbraw/zinc/82/72/79/384827279.db2.gz QYGJEQHEHMKHAE-LBPRGKRZSA-N 0 3 231.261 3.365 20 0 BGADHN CC[C@@H](NCCCF)c1cc(F)ccc1F ZINC000126988423 384827620 /nfs/dbraw/zinc/82/76/20/384827620.db2.gz QYGJEQHEHMKHAE-GFCCVEGCSA-N 0 3 231.261 3.365 20 0 BGADHN Cc1ccc(CN[C@@H](C)Cc2ccsc2)nc1 ZINC000127001659 388710159 /nfs/dbraw/zinc/71/01/59/388710159.db2.gz HHTBDUYNNHREHM-LBPRGKRZSA-N 0 3 246.379 3.172 20 0 BGADHN Cc1ccc(CN[C@H](C)Cc2ccsc2)nc1 ZINC000127001878 324737467 /nfs/dbraw/zinc/73/74/67/324737467.db2.gz HHTBDUYNNHREHM-GFCCVEGCSA-N 0 3 246.379 3.172 20 0 BGADHN COc1ccc(C)cc1[C@@H](C)NCCCF ZINC000127003426 175078902 /nfs/dbraw/zinc/07/89/02/175078902.db2.gz HUGMOWRPRHDEEC-LLVKDONJSA-N 0 3 225.307 3.014 20 0 BGADHN COc1ccc(C)cc1[C@H](C)NCCCF ZINC000127003612 175081027 /nfs/dbraw/zinc/08/10/27/175081027.db2.gz HUGMOWRPRHDEEC-NSHDSACASA-N 0 3 225.307 3.014 20 0 BGADHN Cc1ncc(CN2CCCC(C)(C)CC2)s1 ZINC000127014415 388710224 /nfs/dbraw/zinc/71/02/24/388710224.db2.gz GISZQUHRAKCMCE-UHFFFAOYSA-N 0 3 238.400 3.464 20 0 BGADHN Cc1ccc(CNCCc2cccc(C)c2)nc1 ZINC000127015880 388711102 /nfs/dbraw/zinc/71/11/02/388711102.db2.gz RHWATSAVWIVDMX-UHFFFAOYSA-N 0 3 240.350 3.031 20 0 BGADHN C[C@H](NCCCF)c1cc2ccccc2o1 ZINC000127015968 384852227 /nfs/dbraw/zinc/85/22/27/384852227.db2.gz NIJFBHCGVITTNW-JTQLQIEISA-N 0 3 221.275 3.443 20 0 BGADHN C[C@@H](NCCCF)c1cc2ccccc2o1 ZINC000127016195 384852127 /nfs/dbraw/zinc/85/21/27/384852127.db2.gz NIJFBHCGVITTNW-SNVBAGLBSA-N 0 3 221.275 3.443 20 0 BGADHN CC(C)C[C@H](NCCCF)c1ccccn1 ZINC000127028855 388711619 /nfs/dbraw/zinc/71/16/19/388711619.db2.gz YKEOJHJTJBPNOL-ZDUSSCGKSA-N 0 3 224.323 3.118 20 0 BGADHN CC(C)C[C@@H](NCCCF)c1ccccn1 ZINC000127029059 324740296 /nfs/dbraw/zinc/74/02/96/324740296.db2.gz YKEOJHJTJBPNOL-CYBMUJFWSA-N 0 3 224.323 3.118 20 0 BGADHN Cc1nc(CN2CCCC(C)(C)CC2)oc1C ZINC000127034902 342815665 /nfs/dbraw/zinc/81/56/65/342815665.db2.gz HDSAOQGXRXSXBE-UHFFFAOYSA-N 0 3 236.359 3.304 20 0 BGADHN FC1(F)CCC(CNCc2ccco2)CC1 ZINC000127069200 387704171 /nfs/dbraw/zinc/70/41/71/387704171.db2.gz UFADHRFOPSWHFS-UHFFFAOYSA-N 0 3 229.270 3.195 20 0 BGADHN Cc1nc(CN2CCCC(C)(C)CC2)cs1 ZINC000127077933 342836121 /nfs/dbraw/zinc/83/61/21/342836121.db2.gz AHVJPTVVJSRECE-UHFFFAOYSA-N 0 3 238.400 3.464 20 0 BGADHN Cc1nc(CN2CC[C@H](C)C[C@H](C)C2)cs1 ZINC000127084492 388713597 /nfs/dbraw/zinc/71/35/97/388713597.db2.gz JKEBMAAOKHITDW-QWRGUYRKSA-N 0 3 238.400 3.320 20 0 BGADHN Cc1nc(CN2CC[C@@H](C)C[C@H](C)C2)cs1 ZINC000127084720 388713869 /nfs/dbraw/zinc/71/38/69/388713869.db2.gz JKEBMAAOKHITDW-MNOVXSKESA-N 0 3 238.400 3.320 20 0 BGADHN COc1ccnc(CN2CCCC(C)(C)CC2)c1 ZINC000127096681 175357635 /nfs/dbraw/zinc/35/76/35/175357635.db2.gz CTVQMWPSZQSQPG-UHFFFAOYSA-N 0 3 248.370 3.102 20 0 BGADHN COCCN(C)Cc1c(C)cc(Cl)cc1C ZINC000127107536 388714723 /nfs/dbraw/zinc/71/47/23/388714723.db2.gz KYKVSSJGSUAGOK-UHFFFAOYSA-N 0 3 241.762 3.035 20 0 BGADHN CC(C)(C)c1nc(CNCCC2CC2)cs1 ZINC000127147575 398047233 /nfs/dbraw/zinc/04/72/33/398047233.db2.gz RVZNPFCVTMKCTJ-UHFFFAOYSA-N 0 3 238.400 3.330 20 0 BGADHN Cc1cc(C)cc([C@@H](C)NCC2=CCCOC2)c1 ZINC000127147770 384845566 /nfs/dbraw/zinc/84/55/66/384845566.db2.gz BARMBUFNRBFQDG-CQSZACIVSA-N 0 3 245.366 3.301 20 0 BGADHN Cc1cc(C)cc([C@H](C)NCC2=CCCOC2)c1 ZINC000127147989 177917746 /nfs/dbraw/zinc/91/77/46/177917746.db2.gz BARMBUFNRBFQDG-AWEZNQCLSA-N 0 3 245.366 3.301 20 0 BGADHN COCCN(C)Cc1cc2cc(C)c(C)cc2o1 ZINC000127151002 345159871 /nfs/dbraw/zinc/15/98/71/345159871.db2.gz NJFMUQRFGIUINB-UHFFFAOYSA-N 0 3 247.338 3.128 20 0 BGADHN COCCN(C)Cc1ccc(C(C)(C)C)s1 ZINC000127151751 388716401 /nfs/dbraw/zinc/71/64/01/388716401.db2.gz XDZZLGOGXFFZCB-UHFFFAOYSA-N 0 3 241.400 3.124 20 0 BGADHN Cc1nc(CN2CC[C@H](C)C[C@H](C)C2)oc1C ZINC000127185936 411473648 /nfs/dbraw/zinc/47/36/48/411473648.db2.gz JUBOGOKDVDSSOY-QWRGUYRKSA-N 0 3 236.359 3.159 20 0 BGADHN Cc1nc(CN2CC[C@@H](C)C[C@H](C)C2)oc1C ZINC000127186169 411473683 /nfs/dbraw/zinc/47/36/83/411473683.db2.gz JUBOGOKDVDSSOY-MNOVXSKESA-N 0 3 236.359 3.159 20 0 BGADHN CC[C@H](O)CCNc1cc(C)nc2ccccc21 ZINC000127227152 384873925 /nfs/dbraw/zinc/87/39/25/384873925.db2.gz WWGJPDMZHDGWJY-LBPRGKRZSA-N 0 3 244.338 3.116 20 0 BGADHN CC[C@@H](O)CCNc1cc(C)nc2ccccc21 ZINC000127227342 345165995 /nfs/dbraw/zinc/16/59/95/345165995.db2.gz WWGJPDMZHDGWJY-GFCCVEGCSA-N 0 3 244.338 3.116 20 0 BGADHN CCCn1cc(CN2CCC[C@@](C)(CC)C2)cn1 ZINC000127233089 387709401 /nfs/dbraw/zinc/70/94/01/387709401.db2.gz QRPWMOLRRRQRIE-OAHLLOKOSA-N 0 3 249.402 3.305 20 0 BGADHN CCCn1cc(CN2CCC[C@](C)(CC)C2)cn1 ZINC000127233295 387709029 /nfs/dbraw/zinc/70/90/29/387709029.db2.gz QRPWMOLRRRQRIE-HNNXBMFYSA-N 0 3 249.402 3.305 20 0 BGADHN CC[C@]1(C)CCCN(Cc2c(C)n[nH]c2C)C1 ZINC000127234126 387709354 /nfs/dbraw/zinc/70/93/54/387709354.db2.gz RNJVUCJKZPLQFZ-CQSZACIVSA-N 0 3 235.375 3.039 20 0 BGADHN CC[C@@]1(C)CCCN(Cc2c(C)n[nH]c2C)C1 ZINC000127234357 171199786 /nfs/dbraw/zinc/19/97/86/171199786.db2.gz RNJVUCJKZPLQFZ-AWEZNQCLSA-N 0 3 235.375 3.039 20 0 BGADHN COc1ccc(CN2CCCC2(C)C)c(OC)c1 ZINC000127260659 187231915 /nfs/dbraw/zinc/23/19/15/187231915.db2.gz AVRSKMAYBAKPFQ-UHFFFAOYSA-N 0 3 249.354 3.078 20 0 BGADHN Cc1ccn2c(CN3CCCC3(C)C)cnc2c1 ZINC000127267442 384879363 /nfs/dbraw/zinc/87/93/63/384879363.db2.gz IPTQPKXZWSYSJI-UHFFFAOYSA-N 0 3 243.354 3.017 20 0 BGADHN Cc1csc(CN2CC[C@H](C)C[C@H](C)C2)n1 ZINC000127267716 384879847 /nfs/dbraw/zinc/87/98/47/384879847.db2.gz ALPIFYUDDGBKAT-QWRGUYRKSA-N 0 3 238.400 3.320 20 0 BGADHN Cc1csc(CN2CC[C@@H](C)C[C@H](C)C2)n1 ZINC000127267959 387708649 /nfs/dbraw/zinc/70/86/49/387708649.db2.gz ALPIFYUDDGBKAT-MNOVXSKESA-N 0 3 238.400 3.320 20 0 BGADHN COc1cccc(CN2CCCC2(C)C)c1OC ZINC000127270728 175256701 /nfs/dbraw/zinc/25/67/01/175256701.db2.gz CMSHYVDUZCWUEL-UHFFFAOYSA-N 0 3 249.354 3.078 20 0 BGADHN COc1ccc(CN2CCCC2(C)C)cc1OC ZINC000127272496 538108620 /nfs/dbraw/zinc/10/86/20/538108620.db2.gz ZVRRYUZJYYPIJF-UHFFFAOYSA-N 0 3 249.354 3.078 20 0 BGADHN CC1(C)CCCN1Cc1cnc(C2CC2)s1 ZINC000127276597 388720081 /nfs/dbraw/zinc/72/00/81/388720081.db2.gz FBOIVPHRHJUBOD-UHFFFAOYSA-N 0 3 236.384 3.395 20 0 BGADHN CC(C)(C)n1cc(CN2CCCC2(C)C)cn1 ZINC000127278879 388719816 /nfs/dbraw/zinc/71/98/16/388719816.db2.gz IVDFGTMSYIKAGI-UHFFFAOYSA-N 0 3 235.375 3.013 20 0 BGADHN CC(C)=CCC[C@H](C)NCc1cscn1 ZINC000127312808 384859115 /nfs/dbraw/zinc/85/91/15/384859115.db2.gz WNBOPDAYHNWKTR-NSHDSACASA-N 0 3 224.373 3.368 20 0 BGADHN CC(C)=CCC[C@@H](C)NCc1cscn1 ZINC000127313057 188143768 /nfs/dbraw/zinc/14/37/68/188143768.db2.gz WNBOPDAYHNWKTR-LLVKDONJSA-N 0 3 224.373 3.368 20 0 BGADHN Cc1ccc(CNCCCOC2CCCC2)o1 ZINC000127313994 590617398 /nfs/dbraw/zinc/61/73/98/590617398.db2.gz QKALVYAHXOTVIT-UHFFFAOYSA-N 0 3 237.343 3.027 20 0 BGADHN Cc1ccc(CN(C)C[C@@H]2CCCCO2)s1 ZINC000127319453 388720538 /nfs/dbraw/zinc/72/05/38/388720538.db2.gz ODHCRIPTBOWQCV-LBPRGKRZSA-N 0 3 239.384 3.057 20 0 BGADHN Cc1ccc(CN(C)C[C@H]2CCCCO2)s1 ZINC000127319698 388720285 /nfs/dbraw/zinc/72/02/85/388720285.db2.gz ODHCRIPTBOWQCV-GFCCVEGCSA-N 0 3 239.384 3.057 20 0 BGADHN Cc1cccc(CN(C)C[C@@H]2CCCCO2)c1C ZINC000127327578 179065968 /nfs/dbraw/zinc/06/59/68/179065968.db2.gz HSCNXSBVKPTJPB-INIZCTEOSA-N 0 3 247.382 3.304 20 0 BGADHN Cc1cccc(CN(C)C[C@H]2CCCCO2)c1C ZINC000127327830 179067501 /nfs/dbraw/zinc/06/75/01/179067501.db2.gz HSCNXSBVKPTJPB-MRXNPFEDSA-N 0 3 247.382 3.304 20 0 BGADHN CCn1nccc1CN(C)CCC1CCCCC1 ZINC000127334579 388721183 /nfs/dbraw/zinc/72/11/83/388721183.db2.gz KEPOHDILZILTFE-UHFFFAOYSA-N 0 3 249.402 3.305 20 0 BGADHN Cc1n[nH]c(C)c1CN(C)CCC1CCCCC1 ZINC000127335998 387710940 /nfs/dbraw/zinc/71/09/40/387710940.db2.gz QZVUFFVRZDOHQC-UHFFFAOYSA-N 0 3 249.402 3.429 20 0 BGADHN CSC[C@H](C)N[C@H](C)c1cc(C)oc1C ZINC000127346813 384854767 /nfs/dbraw/zinc/85/47/67/384854767.db2.gz YBPZVCSDFYIHDI-WCBMZHEXSA-N 0 3 227.373 3.299 20 0 BGADHN CSC[C@H](C)N[C@@H](C)c1cc(C)oc1C ZINC000127347082 384856484 /nfs/dbraw/zinc/85/64/84/384856484.db2.gz YBPZVCSDFYIHDI-WPRPVWTQSA-N 0 3 227.373 3.299 20 0 BGADHN CSC[C@@H](C)N[C@H](C)c1cc(C)oc1C ZINC000127347318 384856458 /nfs/dbraw/zinc/85/64/58/384856458.db2.gz YBPZVCSDFYIHDI-PSASIEDQSA-N 0 3 227.373 3.299 20 0 BGADHN CSC[C@@H](C)N[C@@H](C)c1cc(C)oc1C ZINC000127347503 384855983 /nfs/dbraw/zinc/85/59/83/384855983.db2.gz YBPZVCSDFYIHDI-SCZZXKLOSA-N 0 3 227.373 3.299 20 0 BGADHN Cc1cnc(CNCC2CCC(C)CC2)s1 ZINC000127348520 323005101 /nfs/dbraw/zinc/00/51/01/323005101.db2.gz XXONIQJRLJVDNH-UHFFFAOYSA-N 0 3 238.400 3.367 20 0 BGADHN Cc1cccc([C@@H](C)NCC2=CCCOC2)c1C ZINC000127349556 179180441 /nfs/dbraw/zinc/18/04/41/179180441.db2.gz COEXFJOJXLFBPZ-CQSZACIVSA-N 0 3 245.366 3.301 20 0 BGADHN Cc1cccc([C@H](C)NCC2=CCCOC2)c1C ZINC000127349772 179195281 /nfs/dbraw/zinc/19/52/81/179195281.db2.gz COEXFJOJXLFBPZ-AWEZNQCLSA-N 0 3 245.366 3.301 20 0 BGADHN CCc1ccc(CN(CCC(C)=O)C2CC2)cc1 ZINC000127354897 590625377 /nfs/dbraw/zinc/62/53/77/590625377.db2.gz LCZKTERZQYTKNW-UHFFFAOYSA-N 0 3 245.366 3.193 20 0 BGADHN CCC[C@@H](C)[C@@H](CC)NCc1cscn1 ZINC000127363483 388721431 /nfs/dbraw/zinc/72/14/31/388721431.db2.gz JGIHQGDGYLBNNK-ZYHUDNBSSA-N 0 3 226.389 3.448 20 0 BGADHN CCC[C@H](C)[C@@H](CC)NCc1cscn1 ZINC000127363677 324762983 /nfs/dbraw/zinc/76/29/83/324762983.db2.gz JGIHQGDGYLBNNK-CMPLNLGQSA-N 0 3 226.389 3.448 20 0 BGADHN CCC[C@@H](C)[C@H](CC)NCc1cscn1 ZINC000127363932 388721714 /nfs/dbraw/zinc/72/17/14/388721714.db2.gz JGIHQGDGYLBNNK-PWSUYJOCSA-N 0 3 226.389 3.448 20 0 BGADHN CCC[C@H](C)[C@H](CC)NCc1cscn1 ZINC000127364111 388721511 /nfs/dbraw/zinc/72/15/11/388721511.db2.gz JGIHQGDGYLBNNK-JQWIXIFHSA-N 0 3 226.389 3.448 20 0 BGADHN c1c[nH]c([C@@H]2CCCN2Cc2ccsc2)c1 ZINC000127376214 183326607 /nfs/dbraw/zinc/32/66/07/183326607.db2.gz NTPDCOFRJJQPNB-ZDUSSCGKSA-N 0 3 232.352 3.413 20 0 BGADHN c1c[nH]c([C@H]2CCCN2Cc2ccsc2)c1 ZINC000127376472 183329769 /nfs/dbraw/zinc/32/97/69/183329769.db2.gz NTPDCOFRJJQPNB-CYBMUJFWSA-N 0 3 232.352 3.413 20 0 BGADHN CSC[C@H](C)NCc1cc(Cl)cs1 ZINC000127382850 384866813 /nfs/dbraw/zinc/86/68/13/384866813.db2.gz LVPHIQHLMQWORR-ZETCQYMHSA-N 0 3 235.805 3.243 20 0 BGADHN CSC[C@@H](C)NCc1cc(Cl)cs1 ZINC000127383099 384866493 /nfs/dbraw/zinc/86/64/93/384866493.db2.gz LVPHIQHLMQWORR-SSDOTTSWSA-N 0 3 235.805 3.243 20 0 BGADHN CC[C@H](N[C@@H](C)CSC)c1ccc(F)cn1 ZINC000127386927 387711587 /nfs/dbraw/zinc/71/15/87/387711587.db2.gz UZCMRDMDQUANQS-ONGXEEELSA-N 0 3 242.363 3.013 20 0 BGADHN CC[C@@H](N[C@@H](C)CSC)c1ccc(F)cn1 ZINC000127387148 358561933 /nfs/dbraw/zinc/56/19/33/358561933.db2.gz UZCMRDMDQUANQS-GXSJLCMTSA-N 0 3 242.363 3.013 20 0 BGADHN CC[C@H](N[C@H](C)CSC)c1ccc(F)cn1 ZINC000127387357 387711696 /nfs/dbraw/zinc/71/16/96/387711696.db2.gz UZCMRDMDQUANQS-KOLCDFICSA-N 0 3 242.363 3.013 20 0 BGADHN CC[C@@H](N[C@H](C)CSC)c1ccc(F)cn1 ZINC000127387582 358561642 /nfs/dbraw/zinc/56/16/42/358561642.db2.gz UZCMRDMDQUANQS-MWLCHTKSSA-N 0 3 242.363 3.013 20 0 BGADHN CCCCN[C@@H](C)c1nc2c(s1)CCC2 ZINC000127393532 324765152 /nfs/dbraw/zinc/76/51/52/324765152.db2.gz LTIOIJMCUPXQGI-VIFPVBQESA-N 0 3 224.373 3.083 20 0 BGADHN CCCCN[C@H](C)c1nc2c(s1)CCC2 ZINC000127393780 388722455 /nfs/dbraw/zinc/72/24/55/388722455.db2.gz LTIOIJMCUPXQGI-SECBINFHSA-N 0 3 224.373 3.083 20 0 BGADHN CCC(CC)N[C@@H](C)c1nc2c(s1)CCC2 ZINC000127394509 323005207 /nfs/dbraw/zinc/00/52/07/323005207.db2.gz AEZFQWPGLCZMMJ-VIFPVBQESA-N 0 3 238.400 3.471 20 0 BGADHN CCC(CC)N[C@H](C)c1nc2c(s1)CCC2 ZINC000127394762 388722797 /nfs/dbraw/zinc/72/27/97/388722797.db2.gz AEZFQWPGLCZMMJ-SECBINFHSA-N 0 3 238.400 3.471 20 0 BGADHN CC(C)CCN[C@@H](C)c1nc2c(s1)CCC2 ZINC000127395409 388722853 /nfs/dbraw/zinc/72/28/53/388722853.db2.gz AONBDJNGVSDZDQ-JTQLQIEISA-N 0 3 238.400 3.329 20 0 BGADHN CC(C)CCN[C@H](C)c1nc2c(s1)CCC2 ZINC000127395674 388722647 /nfs/dbraw/zinc/72/26/47/388722647.db2.gz AONBDJNGVSDZDQ-SNVBAGLBSA-N 0 3 238.400 3.329 20 0 BGADHN CC[C@@H](C)N[C@@H](C)c1nc2c(s1)CCC2 ZINC000127399426 324765661 /nfs/dbraw/zinc/76/56/61/324765661.db2.gz YNLUZZYTZGRXOK-BDAKNGLRSA-N 0 3 224.373 3.081 20 0 BGADHN CC[C@H](C)N[C@@H](C)c1nc2c(s1)CCC2 ZINC000127399620 388723170 /nfs/dbraw/zinc/72/31/70/388723170.db2.gz YNLUZZYTZGRXOK-IUCAKERBSA-N 0 3 224.373 3.081 20 0 BGADHN CC[C@@H](C)N[C@H](C)c1nc2c(s1)CCC2 ZINC000127399848 324765309 /nfs/dbraw/zinc/76/53/09/324765309.db2.gz YNLUZZYTZGRXOK-RKDXNWHRSA-N 0 3 224.373 3.081 20 0 BGADHN CC[C@H](C)N[C@H](C)c1nc2c(s1)CCC2 ZINC000127400037 388722833 /nfs/dbraw/zinc/72/28/33/388722833.db2.gz YNLUZZYTZGRXOK-DTWKUNHWSA-N 0 3 224.373 3.081 20 0 BGADHN CCCCCN[C@@H](C)c1nc2c(s1)CCC2 ZINC000127401180 388723251 /nfs/dbraw/zinc/72/32/51/388723251.db2.gz ORSDMTZCKZGNLK-JTQLQIEISA-N 0 3 238.400 3.473 20 0 BGADHN CCCCCN[C@H](C)c1nc2c(s1)CCC2 ZINC000127401410 388722588 /nfs/dbraw/zinc/72/25/88/388722588.db2.gz ORSDMTZCKZGNLK-SNVBAGLBSA-N 0 3 238.400 3.473 20 0 BGADHN CC(C)[C@@H](C)N[C@@H](C)c1nc2c(s1)CCC2 ZINC000127403547 388722567 /nfs/dbraw/zinc/72/25/67/388722567.db2.gz XODZSIOOCGPVNR-ZJUUUORDSA-N 0 3 238.400 3.327 20 0 BGADHN CC(C)[C@H](C)N[C@@H](C)c1nc2c(s1)CCC2 ZINC000127403759 324766575 /nfs/dbraw/zinc/76/65/75/324766575.db2.gz XODZSIOOCGPVNR-UWVGGRQHSA-N 0 3 238.400 3.327 20 0 BGADHN CC(C)[C@@H](C)N[C@H](C)c1nc2c(s1)CCC2 ZINC000127404024 388722825 /nfs/dbraw/zinc/72/28/25/388722825.db2.gz XODZSIOOCGPVNR-NXEZZACHSA-N 0 3 238.400 3.327 20 0 BGADHN CC(C)[C@H](C)N[C@H](C)c1nc2c(s1)CCC2 ZINC000127404203 324766537 /nfs/dbraw/zinc/76/65/37/324766537.db2.gz XODZSIOOCGPVNR-VHSXEESVSA-N 0 3 238.400 3.327 20 0 BGADHN Cc1cccc(C(C)(C)NCC2=CCCOC2)c1 ZINC000127411816 179027198 /nfs/dbraw/zinc/02/71/98/179027198.db2.gz GBUZCLPCLORAJD-UHFFFAOYSA-N 0 3 245.366 3.166 20 0 BGADHN CC[C@@H]1CCCN(Cc2ccc(C)cn2)C1 ZINC000127420090 358562631 /nfs/dbraw/zinc/56/26/31/358562631.db2.gz FIXMYQFGIUIQRK-CYBMUJFWSA-N 0 3 218.344 3.012 20 0 BGADHN CC[C@H]1CCCN(Cc2ccc(C)cn2)C1 ZINC000127420331 387711723 /nfs/dbraw/zinc/71/17/23/387711723.db2.gz FIXMYQFGIUIQRK-ZDUSSCGKSA-N 0 3 218.344 3.012 20 0 BGADHN CC[C@@H](C)NCc1nc2c(s1)C[C@H](C)CC2 ZINC000127450651 324768414 /nfs/dbraw/zinc/76/84/14/324768414.db2.gz BZEWNYQZXBWJHN-NXEZZACHSA-N 0 3 238.400 3.156 20 0 BGADHN CC[C@H](C)NCc1nc2c(s1)C[C@H](C)CC2 ZINC000127450877 324769018 /nfs/dbraw/zinc/76/90/18/324769018.db2.gz BZEWNYQZXBWJHN-ZJUUUORDSA-N 0 3 238.400 3.156 20 0 BGADHN CC[C@@H](C)NCc1nc2c(s1)C[C@@H](C)CC2 ZINC000127451116 324768320 /nfs/dbraw/zinc/76/83/20/324768320.db2.gz BZEWNYQZXBWJHN-VHSXEESVSA-N 0 3 238.400 3.156 20 0 BGADHN CC[C@H](C)NCc1nc2c(s1)C[C@@H](C)CC2 ZINC000127451347 324768690 /nfs/dbraw/zinc/76/86/90/324768690.db2.gz BZEWNYQZXBWJHN-UWVGGRQHSA-N 0 3 238.400 3.156 20 0 BGADHN CN(Cc1cc(F)c(F)c(F)c1)C1CCC1 ZINC000127455729 384900575 /nfs/dbraw/zinc/90/05/75/384900575.db2.gz OBGCHHQHCOZUPI-UHFFFAOYSA-N 0 3 229.245 3.088 20 0 BGADHN CCSCC[C@@H](C)NCc1cnc(C)s1 ZINC000127480527 384868868 /nfs/dbraw/zinc/86/88/68/384868868.db2.gz IMIWSXOWVYLWKO-SECBINFHSA-N 0 3 244.429 3.073 20 0 BGADHN CCSCC[C@H](C)NCc1cnc(C)s1 ZINC000127480793 384870627 /nfs/dbraw/zinc/87/06/27/384870627.db2.gz IMIWSXOWVYLWKO-VIFPVBQESA-N 0 3 244.429 3.073 20 0 BGADHN CCSCC[C@@H](C)NCc1csc(C)n1 ZINC000127481571 384868099 /nfs/dbraw/zinc/86/80/99/384868099.db2.gz DESULAYBBCRSMO-SECBINFHSA-N 0 3 244.429 3.073 20 0 BGADHN CCSCC[C@H](C)NCc1csc(C)n1 ZINC000127481763 384870113 /nfs/dbraw/zinc/87/01/13/384870113.db2.gz DESULAYBBCRSMO-VIFPVBQESA-N 0 3 244.429 3.073 20 0 BGADHN CCSCC[C@@H](C)NCc1ccc(C)o1 ZINC000127482941 384871168 /nfs/dbraw/zinc/87/11/68/384871168.db2.gz PKWFXCPPJQQTED-SNVBAGLBSA-N 0 3 227.373 3.209 20 0 BGADHN CCSCC[C@H](C)NCc1ccc(C)o1 ZINC000127483156 387120406 /nfs/dbraw/zinc/12/04/06/387120406.db2.gz PKWFXCPPJQQTED-JTQLQIEISA-N 0 3 227.373 3.209 20 0 BGADHN CCSCC[C@@H](C)NCc1nc(C)cs1 ZINC000127486652 384865662 /nfs/dbraw/zinc/86/56/62/384865662.db2.gz AZNOUSQVCGWTCG-SECBINFHSA-N 0 3 244.429 3.073 20 0 BGADHN CCSCC[C@H](C)NCc1nc(C)cs1 ZINC000127486895 384866516 /nfs/dbraw/zinc/86/65/16/384866516.db2.gz AZNOUSQVCGWTCG-VIFPVBQESA-N 0 3 244.429 3.073 20 0 BGADHN CCSCC[C@@H](C)NCc1occc1C ZINC000127487119 384866963 /nfs/dbraw/zinc/86/69/63/384866963.db2.gz SPCDMCRIFOYDRX-LLVKDONJSA-N 0 3 227.373 3.209 20 0 BGADHN CCSCC[C@H](C)NCc1occc1C ZINC000127487375 384864721 /nfs/dbraw/zinc/86/47/21/384864721.db2.gz SPCDMCRIFOYDRX-NSHDSACASA-N 0 3 227.373 3.209 20 0 BGADHN CCSCC[C@@H](C)NCc1ccccc1F ZINC000127493231 387714930 /nfs/dbraw/zinc/71/49/30/387714930.db2.gz UIWYKBJFGRJPSF-LLVKDONJSA-N 0 3 241.375 3.447 20 0 BGADHN CCSCC[C@H](C)NCc1ccccc1F ZINC000127493452 387716088 /nfs/dbraw/zinc/71/60/88/387716088.db2.gz UIWYKBJFGRJPSF-NSHDSACASA-N 0 3 241.375 3.447 20 0 BGADHN CC1CCC(N[C@@H](c2nccn2C)C2CC2)CC1 ZINC000127521294 168164240 /nfs/dbraw/zinc/16/42/40/168164240.db2.gz ZIGBTXBIIPEXLS-UXUKBGGZSA-N 0 3 247.386 3.040 20 0 BGADHN CC1CCC(N[C@H](c2nccn2C)C2CC2)CC1 ZINC000127521494 168165903 /nfs/dbraw/zinc/16/59/03/168165903.db2.gz ZIGBTXBIIPEXLS-UBHUBRDASA-N 0 3 247.386 3.040 20 0 BGADHN CCCN(C)Cc1cnc(C(C)C)s1 ZINC000127522737 388725037 /nfs/dbraw/zinc/72/50/37/388725037.db2.gz CXXYMKLHJAFQRY-UHFFFAOYSA-N 0 3 212.362 3.108 20 0 BGADHN CCCN(C)Cc1ccc(OC(F)F)c(F)c1 ZINC000127522983 169080261 /nfs/dbraw/zinc/08/02/61/169080261.db2.gz RCWDXKHMEPHUDW-UHFFFAOYSA-N 0 3 247.260 3.269 20 0 BGADHN CCCN(C)Cc1cn(-c2ccccc2)nc1C ZINC000127525066 169081304 /nfs/dbraw/zinc/08/13/04/169081304.db2.gz XIUHMBNTYGMZIM-UHFFFAOYSA-N 0 3 243.354 3.023 20 0 BGADHN CCCN(C)Cc1ccc(F)c(Cl)c1 ZINC000127535150 388724951 /nfs/dbraw/zinc/72/49/51/388724951.db2.gz NWOYLSOWZWSIPE-UHFFFAOYSA-N 0 3 215.699 3.321 20 0 BGADHN CCC[C@H](NCCCSC)c1ccccn1 ZINC000127538841 388725700 /nfs/dbraw/zinc/72/57/00/388725700.db2.gz COGICUYDFYOOIX-LBPRGKRZSA-N 0 3 238.400 3.266 20 0 BGADHN CCC[C@@H](NCCCSC)c1ccccn1 ZINC000127539112 388726158 /nfs/dbraw/zinc/72/61/58/388726158.db2.gz COGICUYDFYOOIX-GFCCVEGCSA-N 0 3 238.400 3.266 20 0 BGADHN Cc1cc2cc([C@@H](C)N[C@@H](C)CO)oc2cc1C ZINC000127541006 178295486 /nfs/dbraw/zinc/29/54/86/178295486.db2.gz CBEORQUJFOGLIE-NWDGAFQWSA-N 0 3 247.338 3.081 20 0 BGADHN Cc1cc2cc([C@H](C)N[C@@H](C)CO)oc2cc1C ZINC000127541184 178296268 /nfs/dbraw/zinc/29/62/68/178296268.db2.gz CBEORQUJFOGLIE-RYUDHWBXSA-N 0 3 247.338 3.081 20 0 BGADHN CCCN(C)Cc1cnc(C)n1-c1ccccc1 ZINC000127548222 169081375 /nfs/dbraw/zinc/08/13/75/169081375.db2.gz SNSCUGPLFKMPKD-UHFFFAOYSA-N 0 3 243.354 3.023 20 0 BGADHN CCC1(CN[C@@H](C)c2ccccn2)CCC1 ZINC000127551183 168481065 /nfs/dbraw/zinc/48/10/65/168481065.db2.gz RLSLEIYXRUEBOD-LBPRGKRZSA-N 0 3 218.344 3.313 20 0 BGADHN CCC1(CN[C@H](C)c2ccccn2)CCC1 ZINC000127551403 168481807 /nfs/dbraw/zinc/48/18/07/168481807.db2.gz RLSLEIYXRUEBOD-GFCCVEGCSA-N 0 3 218.344 3.313 20 0 BGADHN CCCN(C)Cc1ccccc1OCC1CC1 ZINC000127562056 388726552 /nfs/dbraw/zinc/72/65/52/388726552.db2.gz DKIQSHAZDLAMIZ-UHFFFAOYSA-N 0 3 233.355 3.317 20 0 BGADHN CCCN(C)Cc1cnc(C(C)(C)C)s1 ZINC000127562324 169081449 /nfs/dbraw/zinc/08/14/49/169081449.db2.gz NFFXXHAQNKYAND-UHFFFAOYSA-N 0 3 226.389 3.282 20 0 BGADHN CCCN(C)Cc1cccc(Cl)c1F ZINC000127570894 388727647 /nfs/dbraw/zinc/72/76/47/388727647.db2.gz YFXANAUFSRBXSU-UHFFFAOYSA-N 0 3 215.699 3.321 20 0 BGADHN CCCN(C)Cc1cnc(C2CCC2)s1 ZINC000127571860 388727673 /nfs/dbraw/zinc/72/76/73/388727673.db2.gz HYWMKIHZWLAEJK-UHFFFAOYSA-N 0 3 224.373 3.252 20 0 BGADHN Cc1cc(CNCCc2cccs2)c(C)o1 ZINC000127574186 590713151 /nfs/dbraw/zinc/71/31/51/590713151.db2.gz VXSODFVDWOFYNP-UHFFFAOYSA-N 0 3 235.352 3.290 20 0 BGADHN CCCN(C)Cc1cnc(-c2ccccn2)s1 ZINC000127578999 388727631 /nfs/dbraw/zinc/72/76/31/388727631.db2.gz LBAAIFLEVQFULQ-UHFFFAOYSA-N 0 3 247.367 3.047 20 0 BGADHN CCCN(C)Cc1cnc(CC(C)C)s1 ZINC000127579684 169081591 /nfs/dbraw/zinc/08/15/91/169081591.db2.gz QVRWJJIYXONSAX-UHFFFAOYSA-N 0 3 226.389 3.183 20 0 BGADHN Cc1cc(CNCCc2ccsc2)c(C)o1 ZINC000127584483 590714893 /nfs/dbraw/zinc/71/48/93/590714893.db2.gz CDPRNTRPBNGKKQ-UHFFFAOYSA-N 0 3 235.352 3.290 20 0 BGADHN COCc1ccc(CN[C@H]2CC[C@H](C)CC2)o1 ZINC000127600766 384924575 /nfs/dbraw/zinc/92/45/75/384924575.db2.gz PYYFGCZBPICTQS-TXEJJXNPSA-N 0 3 237.343 3.094 20 0 BGADHN COCc1ccc(CNCC2(C)CCCC2)o1 ZINC000127604140 384906744 /nfs/dbraw/zinc/90/67/44/384906744.db2.gz AKMJKBHNJSJTII-UHFFFAOYSA-N 0 3 237.343 3.096 20 0 BGADHN Cc1nc(CN[C@H](C)C(C)(C)C)sc1C ZINC000127614571 343178368 /nfs/dbraw/zinc/17/83/68/343178368.db2.gz QNEZIKOMHVZRAO-SNVBAGLBSA-N 0 3 226.389 3.284 20 0 BGADHN C[C@@H](NC/C(Cl)=C/Cl)C(C)(C)C ZINC000127616378 590724329 /nfs/dbraw/zinc/72/43/29/590724329.db2.gz ZUVHXJFQMRGUFD-BESBCXERSA-N 0 3 210.148 3.330 20 0 BGADHN CCCC(C)(C)NCc1ccc(COC)o1 ZINC000127625361 384927774 /nfs/dbraw/zinc/92/77/74/384927774.db2.gz CPXDXCRHMKZNII-UHFFFAOYSA-N 0 3 225.332 3.094 20 0 BGADHN Cc1n[nH]c(C)c1CN1CCC[C@H]2CCCC[C@H]21 ZINC000127638151 387722706 /nfs/dbraw/zinc/72/27/06/387722706.db2.gz ONNMLYGGWVZNIJ-UKRRQHHQSA-N 0 3 247.386 3.181 20 0 BGADHN CC(C)N(C)Cc1ccc(Cl)c(F)c1 ZINC000127639955 388728846 /nfs/dbraw/zinc/72/88/46/388728846.db2.gz OWFSIUFRSQRIGA-UHFFFAOYSA-N 0 3 215.699 3.319 20 0 BGADHN CN(Cc1ccc(Cl)c(F)c1)CC1CC1 ZINC000127646692 388728962 /nfs/dbraw/zinc/72/89/62/388728962.db2.gz CGHQDXPYKJLBKG-UHFFFAOYSA-N 0 3 227.710 3.321 20 0 BGADHN CSCCN(C)Cc1ccc(Cl)c(F)c1 ZINC000127648428 388729056 /nfs/dbraw/zinc/72/90/56/388729056.db2.gz BMPNSNJQFZDRRH-UHFFFAOYSA-N 0 3 247.766 3.274 20 0 BGADHN C[C@H](NC[C@H]1CC[C@@H](C)O1)c1ccc(F)cc1 ZINC000127654669 387721150 /nfs/dbraw/zinc/72/11/50/387721150.db2.gz IGPCWPQZCZJPHM-UHIISALHSA-N 0 3 237.318 3.044 20 0 BGADHN C[C@H](NC[C@@H]1CC[C@@H](C)O1)c1ccc(F)cc1 ZINC000127655136 387721311 /nfs/dbraw/zinc/72/13/11/387721311.db2.gz IGPCWPQZCZJPHM-SUNKGSAMSA-N 0 3 237.318 3.044 20 0 BGADHN CC[C@@H]1CCCCN1Cc1ccc(C)cn1 ZINC000127679280 388729375 /nfs/dbraw/zinc/72/93/75/388729375.db2.gz GWHBLYDXBRKZFY-CQSZACIVSA-N 0 3 218.344 3.155 20 0 BGADHN CC[C@H]1CCCCN1Cc1ccc(C)cn1 ZINC000127679505 388729606 /nfs/dbraw/zinc/72/96/06/388729606.db2.gz GWHBLYDXBRKZFY-AWEZNQCLSA-N 0 3 218.344 3.155 20 0 BGADHN C[C@@H]1C[C@H](C)CCN(Cc2nccs2)C1 ZINC000127694725 176178985 /nfs/dbraw/zinc/17/89/85/176178985.db2.gz RXQNXTNTWLDICG-GHMZBOCLSA-N 0 3 224.373 3.011 20 0 BGADHN C[C@H]1CCN(Cc2nccs2)C[C@H](C)C1 ZINC000127694968 177168089 /nfs/dbraw/zinc/16/80/89/177168089.db2.gz RXQNXTNTWLDICG-WDEREUQCSA-N 0 3 224.373 3.011 20 0 BGADHN C[C@H](NC[C@H]1CC[C@@H](C)O1)c1cccc(F)c1 ZINC000127721213 387725274 /nfs/dbraw/zinc/72/52/74/387725274.db2.gz PHKAFDZYDGAOMJ-UHIISALHSA-N 0 3 237.318 3.044 20 0 BGADHN C[C@H](NC[C@@H]1CC[C@@H](C)O1)c1cccc(F)c1 ZINC000127721646 387725941 /nfs/dbraw/zinc/72/59/41/387725941.db2.gz PHKAFDZYDGAOMJ-SUNKGSAMSA-N 0 3 237.318 3.044 20 0 BGADHN CC(C)n1ccnc1CN1CC[C@@H](C)C[C@@H](C)C1 ZINC000127754232 388730702 /nfs/dbraw/zinc/73/07/02/388730702.db2.gz YYOLRGJFCBNWLE-ZIAGYGMSSA-N 0 3 249.402 3.332 20 0 BGADHN CC(C)n1ccnc1CN1CC[C@H](C)C[C@@H](C)C1 ZINC000127754497 388730917 /nfs/dbraw/zinc/73/09/17/388730917.db2.gz YYOLRGJFCBNWLE-UONOGXRCSA-N 0 3 249.402 3.332 20 0 BGADHN Cc1nc(CNCCC(C)(C)C)sc1C ZINC000127762903 398286938 /nfs/dbraw/zinc/28/69/38/398286938.db2.gz MMKBNPYBRFQZHD-UHFFFAOYSA-N 0 3 226.389 3.286 20 0 BGADHN CN(Cc1cc(F)c(F)c(F)c1)CC1CCC1 ZINC000127766354 411252736 /nfs/dbraw/zinc/25/27/36/411252736.db2.gz YMPDMMMOGHBZFN-UHFFFAOYSA-N 0 3 243.272 3.336 20 0 BGADHN CC(C)c1ncc(CN(C)CC2CCC2)s1 ZINC000127769511 411252322 /nfs/dbraw/zinc/25/23/22/411252322.db2.gz IKVBJLZVAXUQBF-UHFFFAOYSA-N 0 3 238.400 3.498 20 0 BGADHN CN(Cc1cnc(C2CC2)s1)CC1CCC1 ZINC000127769727 411252670 /nfs/dbraw/zinc/25/26/70/411252670.db2.gz HRPQACRMEZYZMT-UHFFFAOYSA-N 0 3 236.384 3.252 20 0 BGADHN CCc1ccc(CN(C)CC2CCC2)o1 ZINC000127775340 323005758 /nfs/dbraw/zinc/00/57/58/323005758.db2.gz LWWHQCVUDMSUPP-UHFFFAOYSA-N 0 3 207.317 3.074 20 0 BGADHN CCCn1nc(C)c(CN(C)CC2CCC2)c1C ZINC000127775573 384836879 /nfs/dbraw/zinc/83/68/79/384836879.db2.gz KSCAKEBEXCDMEO-UHFFFAOYSA-N 0 3 249.402 3.142 20 0 BGADHN FCCCN1CC=C(c2ccccc2F)CC1 ZINC000127785957 387726206 /nfs/dbraw/zinc/72/62/06/387726206.db2.gz NQWBDKPYIXFJTF-UHFFFAOYSA-N 0 3 237.293 3.274 20 0 BGADHN CCN(C)Cc1cccc(OC(F)(F)F)c1 ZINC000127796470 388732316 /nfs/dbraw/zinc/73/23/16/388732316.db2.gz JIKBWGRETXEICT-UHFFFAOYSA-N 0 3 233.233 3.037 20 0 BGADHN CN(CCCF)Cc1ccc(Cl)c(F)c1 ZINC000127808807 384948989 /nfs/dbraw/zinc/94/89/89/384948989.db2.gz OILYKZHFPPXRGX-UHFFFAOYSA-N 0 3 233.689 3.271 20 0 BGADHN c1c(CNC2CCCC2)noc1-c1ccccc1 ZINC000127822764 183379716 /nfs/dbraw/zinc/37/97/16/183379716.db2.gz RTMHZRJXNWURBF-UHFFFAOYSA-N 0 3 242.322 3.374 20 0 BGADHN CC(C)(C)OCCN[C@@H]1CCc2ccccc21 ZINC000127828657 324790742 /nfs/dbraw/zinc/79/07/42/324790742.db2.gz XRPALKKAWWEPRV-CQSZACIVSA-N 0 3 233.355 3.079 20 0 BGADHN CC(C)(C)OCCN[C@H]1CCc2ccccc21 ZINC000127828913 388731806 /nfs/dbraw/zinc/73/18/06/388731806.db2.gz XRPALKKAWWEPRV-AWEZNQCLSA-N 0 3 233.355 3.079 20 0 BGADHN CCCN(C)Cc1ccc(Cl)c(F)c1 ZINC000127830633 388731591 /nfs/dbraw/zinc/73/15/91/388731591.db2.gz KITSDOHFXKSIJF-UHFFFAOYSA-N 0 3 215.699 3.321 20 0 BGADHN CC1(C)CC(NCc2ncc[nH]2)CC(C)(C)C1 ZINC000127835038 387728511 /nfs/dbraw/zinc/72/85/11/387728511.db2.gz LSHPGUKSHYIZBM-UHFFFAOYSA-N 0 3 235.375 3.104 20 0 BGADHN Cn1ccc(CNC2CC(C)(C)CC(C)(C)C2)n1 ZINC000127839113 387728068 /nfs/dbraw/zinc/72/80/68/387728068.db2.gz YYHGUSHLRXEDQV-UHFFFAOYSA-N 0 3 249.402 3.115 20 0 BGADHN Cn1ccnc1CNC1CC(C)(C)CC(C)(C)C1 ZINC000127839363 387728473 /nfs/dbraw/zinc/72/84/73/387728473.db2.gz BEUMZDSHXJSBKP-UHFFFAOYSA-N 0 3 249.402 3.115 20 0 BGADHN CC1(C)CC(NCc2cc[nH]n2)CC(C)(C)C1 ZINC000127840942 343178868 /nfs/dbraw/zinc/17/88/68/343178868.db2.gz BEBRODUAUUEMSK-UHFFFAOYSA-N 0 3 235.375 3.104 20 0 BGADHN Cc1ccc([C@@H](C)NCC2=CCCOC2)cc1F ZINC000127842248 388732307 /nfs/dbraw/zinc/73/23/07/388732307.db2.gz SKJPWDNZYCXYHN-GFCCVEGCSA-N 0 3 249.329 3.131 20 0 BGADHN Cc1ccc([C@H](C)NCC2=CCCOC2)cc1F ZINC000127842496 491132810 /nfs/dbraw/zinc/13/28/10/491132810.db2.gz SKJPWDNZYCXYHN-LBPRGKRZSA-N 0 3 249.329 3.131 20 0 BGADHN Cc1cc(CNC[C@@H](C)c2ccc(F)cc2)on1 ZINC000127878682 178023553 /nfs/dbraw/zinc/02/35/53/178023553.db2.gz XXQDMTRLCKGWEA-SNVBAGLBSA-N 0 3 248.301 3.015 20 0 BGADHN Cc1cc(CNC[C@H](C)c2ccc(F)cc2)on1 ZINC000127878897 178025446 /nfs/dbraw/zinc/02/54/46/178025446.db2.gz XXQDMTRLCKGWEA-JTQLQIEISA-N 0 3 248.301 3.015 20 0 BGADHN CCC1(CN[C@@H](C)c2cscn2)CCC1 ZINC000127890060 384913412 /nfs/dbraw/zinc/91/34/12/384913412.db2.gz KELHOEPJZKMOBL-JTQLQIEISA-N 0 3 224.373 3.374 20 0 BGADHN CCC1(CN[C@H](C)c2cscn2)CCC1 ZINC000127890260 384914374 /nfs/dbraw/zinc/91/43/74/384914374.db2.gz KELHOEPJZKMOBL-SNVBAGLBSA-N 0 3 224.373 3.374 20 0 BGADHN CC[C@@H]1CCC[C@@H]1N[C@@H](C)c1cscn1 ZINC000127891509 344201789 /nfs/dbraw/zinc/20/17/89/344201789.db2.gz JTHKWNPTHTXPBR-AXFHLTTASA-N 0 3 224.373 3.372 20 0 BGADHN CC[C@@H]1CCC[C@H]1N[C@@H](C)c1cscn1 ZINC000127891986 171003688 /nfs/dbraw/zinc/00/36/88/171003688.db2.gz JTHKWNPTHTXPBR-HBNTYKKESA-N 0 3 224.373 3.372 20 0 BGADHN C[C@H]1CC[C@H](N[C@H](c2nccn2C)C2CC2)CC1 ZINC000127957489 176213987 /nfs/dbraw/zinc/21/39/87/176213987.db2.gz ZIGBTXBIIPEXLS-YUTCNCBUSA-N 0 3 247.386 3.040 20 0 BGADHN C[C@H]1CC[C@H](N[C@@H](c2nccn2C)C2CC2)CC1 ZINC000127957710 176214478 /nfs/dbraw/zinc/21/44/78/176214478.db2.gz ZIGBTXBIIPEXLS-KWCYVHTRSA-N 0 3 247.386 3.040 20 0 BGADHN CC1(C)CC[C@H](NCc2cn3ccccc3n2)C1 ZINC000127986284 188085795 /nfs/dbraw/zinc/08/57/95/188085795.db2.gz RBQFSDMEWRLCCB-LBPRGKRZSA-N 0 3 243.354 3.003 20 0 BGADHN CC1(C)CC[C@@H](NCc2cn3ccccc3n2)C1 ZINC000127986493 358567892 /nfs/dbraw/zinc/56/78/92/358567892.db2.gz RBQFSDMEWRLCCB-GFCCVEGCSA-N 0 3 243.354 3.003 20 0 BGADHN CS[C@@H](C)CNCc1ccc(Cl)c(F)c1 ZINC000127988488 384919232 /nfs/dbraw/zinc/91/92/32/384919232.db2.gz VTYODGYRUWTYKY-QMMMGPOBSA-N 0 3 247.766 3.320 20 0 BGADHN CS[C@H](C)CNCc1ccc(Cl)c(F)c1 ZINC000127988676 384917663 /nfs/dbraw/zinc/91/76/63/384917663.db2.gz VTYODGYRUWTYKY-MRVPVSSYSA-N 0 3 247.766 3.320 20 0 BGADHN CS[C@@H](C)CNCc1cc2ccccc2o1 ZINC000128011740 384979995 /nfs/dbraw/zinc/97/99/95/384979995.db2.gz HPRCWEAILGSHCP-JTQLQIEISA-N 0 3 235.352 3.274 20 0 BGADHN CS[C@H](C)CNCc1cc2ccccc2o1 ZINC000128011910 175563078 /nfs/dbraw/zinc/56/30/78/175563078.db2.gz HPRCWEAILGSHCP-SNVBAGLBSA-N 0 3 235.352 3.274 20 0 BGADHN CN(Cc1coc2ccccc12)C[C@@H]1CCCO1 ZINC000128013503 387733965 /nfs/dbraw/zinc/73/39/65/387733965.db2.gz RTWOVJNTGGECBB-ZDUSSCGKSA-N 0 3 245.322 3.044 20 0 BGADHN CN(Cc1coc2ccccc12)C[C@H]1CCCO1 ZINC000128013747 387734150 /nfs/dbraw/zinc/73/41/50/387734150.db2.gz RTWOVJNTGGECBB-CYBMUJFWSA-N 0 3 245.322 3.044 20 0 BGADHN CS[C@@H](C)CNCc1ccc(Cl)s1 ZINC000128031232 384924631 /nfs/dbraw/zinc/92/46/31/384924631.db2.gz VBEWSJPDJFBIIQ-ZETCQYMHSA-N 0 3 235.805 3.243 20 0 BGADHN CS[C@H](C)CNCc1ccc(Cl)s1 ZINC000128031460 384925293 /nfs/dbraw/zinc/92/52/93/384925293.db2.gz VBEWSJPDJFBIIQ-SSDOTTSWSA-N 0 3 235.805 3.243 20 0 BGADHN CSC[C@H](C)N[C@@H](C)c1cccc(F)c1 ZINC000128046246 388736464 /nfs/dbraw/zinc/73/64/64/388736464.db2.gz DEIQUHIZAFPOHQ-UWVGGRQHSA-N 0 3 227.348 3.228 20 0 BGADHN CSC[C@@H](C)N[C@@H](C)c1cccc(F)c1 ZINC000128046488 324802132 /nfs/dbraw/zinc/80/21/32/324802132.db2.gz DEIQUHIZAFPOHQ-ZJUUUORDSA-N 0 3 227.348 3.228 20 0 BGADHN CSC[C@H](C)N[C@H](C)c1cccc(F)c1 ZINC000128046766 388736628 /nfs/dbraw/zinc/73/66/28/388736628.db2.gz DEIQUHIZAFPOHQ-VHSXEESVSA-N 0 3 227.348 3.228 20 0 BGADHN CSC[C@@H](C)N[C@H](C)c1cccc(F)c1 ZINC000128047001 388736225 /nfs/dbraw/zinc/73/62/25/388736225.db2.gz DEIQUHIZAFPOHQ-NXEZZACHSA-N 0 3 227.348 3.228 20 0 BGADHN CCCCOCCCN[C@@H](C)c1ccc(C)o1 ZINC000128053596 384986274 /nfs/dbraw/zinc/98/62/74/384986274.db2.gz NIXXOPAUEZHKDS-ZDUSSCGKSA-N 0 3 239.359 3.445 20 0 BGADHN CCCCOCCCN[C@H](C)c1ccc(C)o1 ZINC000128053815 384986617 /nfs/dbraw/zinc/98/66/17/384986617.db2.gz NIXXOPAUEZHKDS-CYBMUJFWSA-N 0 3 239.359 3.445 20 0 BGADHN C/C(=C\c1ccccc1)CN(C)C[C@@H]1CCCO1 ZINC000128063827 388738080 /nfs/dbraw/zinc/73/80/80/388738080.db2.gz VVGCOKMIQYHFPP-UKYUDJEDSA-N 0 3 245.366 3.201 20 0 BGADHN C/C(=C\c1ccccc1)CN(C)C[C@H]1CCCO1 ZINC000128064053 388738032 /nfs/dbraw/zinc/73/80/32/388738032.db2.gz VVGCOKMIQYHFPP-WSYSLRRZSA-N 0 3 245.366 3.201 20 0 BGADHN Cc1csc(CN(CC2CC2)CC2CC2)n1 ZINC000128075933 388738121 /nfs/dbraw/zinc/73/81/21/388738121.db2.gz HFGKGXRVGUQZJH-UHFFFAOYSA-N 0 3 236.384 3.074 20 0 BGADHN CO[C@H](C)[C@H](C)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000128084718 174850494 /nfs/dbraw/zinc/85/04/94/174850494.db2.gz ZWIGDCPCXQWLOX-LPEHRKFASA-N 0 3 243.297 3.039 20 0 BGADHN CO[C@H](C)[C@H](C)N[C@H](C)c1ccc(F)c(F)c1 ZINC000128084976 387736097 /nfs/dbraw/zinc/73/60/97/387736097.db2.gz ZWIGDCPCXQWLOX-IVZWLZJFSA-N 0 3 243.297 3.039 20 0 BGADHN CO[C@H](C)[C@@H](C)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000128085196 387735858 /nfs/dbraw/zinc/73/58/58/387735858.db2.gz ZWIGDCPCXQWLOX-KXUCPTDWSA-N 0 3 243.297 3.039 20 0 BGADHN CO[C@H](C)[C@@H](C)N[C@H](C)c1ccc(F)c(F)c1 ZINC000128085389 387734237 /nfs/dbraw/zinc/73/42/37/387734237.db2.gz ZWIGDCPCXQWLOX-OPRDCNLKSA-N 0 3 243.297 3.039 20 0 BGADHN CC(C)C1CCC(N[C@@H](C)c2cnccn2)CC1 ZINC000128087097 388738113 /nfs/dbraw/zinc/73/81/13/388738113.db2.gz CZEGIWFFJCQXBX-HSBZDZAISA-N 0 3 247.386 3.342 20 0 BGADHN CC(C)C1CCC(N[C@H](C)c2cnccn2)CC1 ZINC000128087328 388737331 /nfs/dbraw/zinc/73/73/31/388737331.db2.gz CZEGIWFFJCQXBX-IYXRBSQSSA-N 0 3 247.386 3.342 20 0 BGADHN CS[C@H](C)CNCc1ccc([C@H]2C[C@H]2C)o1 ZINC000128112498 384995571 /nfs/dbraw/zinc/99/55/71/384995571.db2.gz VKKDAWSCQJVXEG-FOGDFJRCSA-N 0 3 239.384 3.244 20 0 BGADHN CS[C@H](C)CNCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000128112663 175563641 /nfs/dbraw/zinc/56/36/41/175563641.db2.gz VKKDAWSCQJVXEG-UMNHJUIQSA-N 0 3 239.384 3.244 20 0 BGADHN CS[C@H](C)CNCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000128112827 384995454 /nfs/dbraw/zinc/99/54/54/384995454.db2.gz VKKDAWSCQJVXEG-CKYFFXLPSA-N 0 3 239.384 3.244 20 0 BGADHN CS[C@H](C)CNCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000128113133 384997299 /nfs/dbraw/zinc/99/72/99/384997299.db2.gz VKKDAWSCQJVXEG-HOSYDEDBSA-N 0 3 239.384 3.244 20 0 BGADHN CCN(CCC(C)=O)Cc1cccc(Cl)c1 ZINC000128115377 384997398 /nfs/dbraw/zinc/99/73/98/384997398.db2.gz KGBAMQXQUSQQSP-UHFFFAOYSA-N 0 3 239.746 3.141 20 0 BGADHN CS[C@@H](C)CNCc1ccccc1Cl ZINC000128124716 384930211 /nfs/dbraw/zinc/93/02/11/384930211.db2.gz ITMIUUDEOYSYMJ-VIFPVBQESA-N 0 3 229.776 3.181 20 0 BGADHN CS[C@H](C)CNCc1ccccc1Cl ZINC000128124889 384932087 /nfs/dbraw/zinc/93/20/87/384932087.db2.gz ITMIUUDEOYSYMJ-SECBINFHSA-N 0 3 229.776 3.181 20 0 BGADHN CCn1nccc1CN(C)C1CCC(C)(C)CC1 ZINC000128140228 172264986 /nfs/dbraw/zinc/26/49/86/172264986.db2.gz BLWYIYCSEQTLML-UHFFFAOYSA-N 0 3 249.402 3.304 20 0 BGADHN C[C@H](NCCCc1ccccc1)c1cncs1 ZINC000128142746 385000533 /nfs/dbraw/zinc/00/05/33/385000533.db2.gz VQBZHNDMISMUIL-LBPRGKRZSA-N 0 3 246.379 3.427 20 0 BGADHN C[C@@H](NCCCc1ccccc1)c1cncs1 ZINC000128142966 385003765 /nfs/dbraw/zinc/00/37/65/385003765.db2.gz VQBZHNDMISMUIL-GFCCVEGCSA-N 0 3 246.379 3.427 20 0 BGADHN CC(C)=CCC[C@H](C)NCc1nccs1 ZINC000128146950 187285748 /nfs/dbraw/zinc/28/57/48/187285748.db2.gz BOTDWYPSHINQKZ-NSHDSACASA-N 0 3 224.373 3.368 20 0 BGADHN CC(C)=CCC[C@@H](C)NCc1nccs1 ZINC000128147157 191008506 /nfs/dbraw/zinc/00/85/06/191008506.db2.gz BOTDWYPSHINQKZ-LLVKDONJSA-N 0 3 224.373 3.368 20 0 BGADHN CS[C@@H](C)CNCc1ccc(F)cc1Cl ZINC000128166057 384934001 /nfs/dbraw/zinc/93/40/01/384934001.db2.gz RTJWNBTUEJSUGI-QMMMGPOBSA-N 0 3 247.766 3.320 20 0 BGADHN CS[C@H](C)CNCc1ccc(F)cc1Cl ZINC000128166273 384935221 /nfs/dbraw/zinc/93/52/21/384935221.db2.gz RTJWNBTUEJSUGI-MRVPVSSYSA-N 0 3 247.766 3.320 20 0 BGADHN CC(=O)CCN(Cc1ccco1)C1CCCC1 ZINC000128169534 385007207 /nfs/dbraw/zinc/00/72/07/385007207.db2.gz BJQSPRWEKQFMDY-UHFFFAOYSA-N 0 3 235.327 3.003 20 0 BGADHN Cc1oncc1CN1CCC[C@@H]1c1ccccc1 ZINC000128175039 387739936 /nfs/dbraw/zinc/73/99/36/387739936.db2.gz SGYRDNGAIKMTDC-OAHLLOKOSA-N 0 3 242.322 3.320 20 0 BGADHN Cc1oncc1CN1CCC[C@H]1c1ccccc1 ZINC000128175234 387739387 /nfs/dbraw/zinc/73/93/87/387739387.db2.gz SGYRDNGAIKMTDC-HNNXBMFYSA-N 0 3 242.322 3.320 20 0 BGADHN CCC[C@]1(C)CCCN(Cc2ccnn2CC)C1 ZINC000128185488 387740155 /nfs/dbraw/zinc/74/01/55/387740155.db2.gz SMZQHQFLYQYPCS-OAHLLOKOSA-N 0 3 249.402 3.305 20 0 BGADHN CCC[C@@]1(C)CCCN(Cc2ccnn2CC)C1 ZINC000128185710 387739725 /nfs/dbraw/zinc/73/97/25/387739725.db2.gz SMZQHQFLYQYPCS-HNNXBMFYSA-N 0 3 249.402 3.305 20 0 BGADHN CCC[C@]1(C)CCCN(Cc2c(C)n[nH]c2C)C1 ZINC000128186496 387740576 /nfs/dbraw/zinc/74/05/76/387740576.db2.gz OLPZFLAVIAJSEU-OAHLLOKOSA-N 0 3 249.402 3.429 20 0 BGADHN CCC[C@@]1(C)CCCN(Cc2c(C)n[nH]c2C)C1 ZINC000128186721 387740198 /nfs/dbraw/zinc/74/01/98/387740198.db2.gz OLPZFLAVIAJSEU-HNNXBMFYSA-N 0 3 249.402 3.429 20 0 BGADHN CCCCN(CCCC)Cc1cnoc1C ZINC000128188289 324810930 /nfs/dbraw/zinc/81/09/30/324810930.db2.gz FPMQXMBESCDTFW-UHFFFAOYSA-N 0 3 224.348 3.385 20 0 BGADHN Cc1ccoc1CNCCCC(F)(F)F ZINC000128189265 384933790 /nfs/dbraw/zinc/93/37/90/384933790.db2.gz YMIXRKPTCCQEQT-UHFFFAOYSA-N 0 3 221.222 3.020 20 0 BGADHN CCC[C@@H](C)[C@@H](CC)NCc1nccs1 ZINC000128191141 169372549 /nfs/dbraw/zinc/37/25/49/169372549.db2.gz UIIZZBOLVIQXGR-GHMZBOCLSA-N 0 3 226.389 3.448 20 0 BGADHN CCC[C@H](C)[C@@H](CC)NCc1nccs1 ZINC000128191296 385012729 /nfs/dbraw/zinc/01/27/29/385012729.db2.gz UIIZZBOLVIQXGR-WDEREUQCSA-N 0 3 226.389 3.448 20 0 BGADHN CSC(C)(C)CNCc1ccc(Cl)o1 ZINC000128191339 590920266 /nfs/dbraw/zinc/92/02/66/590920266.db2.gz PSNIGBQMNOSUPU-UHFFFAOYSA-N 0 3 233.764 3.164 20 0 BGADHN CCC[C@@H](C)[C@H](CC)NCc1nccs1 ZINC000128191517 169373337 /nfs/dbraw/zinc/37/33/37/169373337.db2.gz UIIZZBOLVIQXGR-MNOVXSKESA-N 0 3 226.389 3.448 20 0 BGADHN CCC[C@H](C)[C@H](CC)NCc1nccs1 ZINC000128191719 387739871 /nfs/dbraw/zinc/73/98/71/387739871.db2.gz UIIZZBOLVIQXGR-QWRGUYRKSA-N 0 3 226.389 3.448 20 0 BGADHN CO[C@H](C)[C@H](C)N[C@@H](C)c1ccc(F)cc1F ZINC000128202298 385013758 /nfs/dbraw/zinc/01/37/58/385013758.db2.gz XICLFWAJIBKKIW-LPEHRKFASA-N 0 3 243.297 3.039 20 0 BGADHN CO[C@H](C)[C@H](C)N[C@H](C)c1ccc(F)cc1F ZINC000128202496 385013917 /nfs/dbraw/zinc/01/39/17/385013917.db2.gz XICLFWAJIBKKIW-IVZWLZJFSA-N 0 3 243.297 3.039 20 0 BGADHN CO[C@H](C)[C@@H](C)N[C@@H](C)c1ccc(F)cc1F ZINC000128202683 385014263 /nfs/dbraw/zinc/01/42/63/385014263.db2.gz XICLFWAJIBKKIW-KXUCPTDWSA-N 0 3 243.297 3.039 20 0 BGADHN CO[C@H](C)[C@@H](C)N[C@H](C)c1ccc(F)cc1F ZINC000128202885 385013994 /nfs/dbraw/zinc/01/39/94/385013994.db2.gz XICLFWAJIBKKIW-OPRDCNLKSA-N 0 3 243.297 3.039 20 0 BGADHN CSC(C)(C)CNCc1cc(F)ccc1F ZINC000128203357 385013897 /nfs/dbraw/zinc/01/38/97/385013897.db2.gz XIVDTXMRDJALGE-UHFFFAOYSA-N 0 3 245.338 3.196 20 0 BGADHN CSC(C)(C)CNCc1c(F)cccc1F ZINC000128205961 385014575 /nfs/dbraw/zinc/01/45/75/385014575.db2.gz KFBYVAVCRODESY-UHFFFAOYSA-N 0 3 245.338 3.196 20 0 BGADHN CSCCN(C)Cc1ccc2ncccc2c1 ZINC000128207976 387739095 /nfs/dbraw/zinc/73/90/95/387739095.db2.gz RWTRKAMCEKTHNO-UHFFFAOYSA-N 0 3 246.379 3.030 20 0 BGADHN CSC(C)(C)CNCc1ccc(F)cc1F ZINC000128211858 410351475 /nfs/dbraw/zinc/35/14/75/410351475.db2.gz LZLKELRFBCEYDW-UHFFFAOYSA-N 0 3 245.338 3.196 20 0 BGADHN Cc1oncc1CN1CCC[C@H]2CCCC[C@@H]21 ZINC000128213137 384530529 /nfs/dbraw/zinc/53/05/29/384530529.db2.gz YCESJOUMJIEKNT-OCCSQVGLSA-N 0 3 234.343 3.138 20 0 BGADHN Cc1oncc1CN1CCC[C@@H]2CCCC[C@@H]21 ZINC000128213380 384531093 /nfs/dbraw/zinc/53/10/93/384531093.db2.gz YCESJOUMJIEKNT-JSGCOSHPSA-N 0 3 234.343 3.138 20 0 BGADHN CSC(C)(C)CNCc1ccccc1F ZINC000128215570 384938483 /nfs/dbraw/zinc/93/84/83/384938483.db2.gz CVTZPLPGLHNANE-UHFFFAOYSA-N 0 3 227.348 3.057 20 0 BGADHN COc1cccc([C@H](C)N(C)CCSC)c1 ZINC000128219943 388740728 /nfs/dbraw/zinc/74/07/28/388740728.db2.gz BUKOLCSKPQFDCQ-NSHDSACASA-N 0 3 239.384 3.051 20 0 BGADHN COc1cccc([C@@H](C)N(C)CCSC)c1 ZINC000128220149 388740799 /nfs/dbraw/zinc/74/07/99/388740799.db2.gz BUKOLCSKPQFDCQ-LLVKDONJSA-N 0 3 239.384 3.051 20 0 BGADHN CSC(C)(C)CNCc1cccc(F)c1F ZINC000128220929 590937799 /nfs/dbraw/zinc/93/77/99/590937799.db2.gz QUDZHGUAIAIXBE-UHFFFAOYSA-N 0 3 245.338 3.196 20 0 BGADHN CCOCCN(C)[C@@H](CC)c1ccc(F)cc1 ZINC000128224737 170391635 /nfs/dbraw/zinc/39/16/35/170391635.db2.gz DPQPBSILAYTNOS-AWEZNQCLSA-N 0 3 239.334 3.245 20 0 BGADHN CCOCCN(C)[C@H](CC)c1ccc(F)cc1 ZINC000128224977 170391066 /nfs/dbraw/zinc/39/10/66/170391066.db2.gz DPQPBSILAYTNOS-CQSZACIVSA-N 0 3 239.334 3.245 20 0 BGADHN CCOCCN(CC)Cc1ccc(Cl)cc1 ZINC000128240818 170396520 /nfs/dbraw/zinc/39/65/20/170396520.db2.gz ZVDPFSATGOSVLB-UHFFFAOYSA-N 0 3 241.762 3.198 20 0 BGADHN CCC(C)(CC)NCc1ccc(COC)o1 ZINC000128256151 168311478 /nfs/dbraw/zinc/31/14/78/168311478.db2.gz MVHLAPFIZMSNEN-UHFFFAOYSA-N 0 3 225.332 3.094 20 0 BGADHN CCC(CC)CN(CC)Cc1cnoc1C ZINC000128274721 388743273 /nfs/dbraw/zinc/74/32/73/388743273.db2.gz AIWFZAJNMBDULU-UHFFFAOYSA-N 0 3 224.348 3.241 20 0 BGADHN Cc1oncc1CN(C)CCCc1ccccc1 ZINC000128276027 388743601 /nfs/dbraw/zinc/74/36/01/388743601.db2.gz WGQREFMEDBTYIU-UHFFFAOYSA-N 0 3 244.338 3.048 20 0 BGADHN CCN(Cc1cnoc1C)C1CCCCC1 ZINC000128279309 388744351 /nfs/dbraw/zinc/74/43/51/388744351.db2.gz CEQKJLCHIQHBRR-UHFFFAOYSA-N 0 3 222.332 3.138 20 0 BGADHN CN(Cc1cc(Cl)nc2ccccc12)C1CC1 ZINC000128285818 590961239 /nfs/dbraw/zinc/96/12/39/590961239.db2.gz CRBCCNOQIGGGMK-UHFFFAOYSA-N 0 3 246.741 3.482 20 0 BGADHN CCN(CCc1ccccc1)Cc1cnoc1C ZINC000128299369 388745475 /nfs/dbraw/zinc/74/54/75/388745475.db2.gz XXBGOGXRTXGXSH-UHFFFAOYSA-N 0 3 244.338 3.048 20 0 BGADHN C[C@H](NC[C@H]1CC[C@@H](C)O1)c1ccccc1F ZINC000128302940 387742748 /nfs/dbraw/zinc/74/27/48/387742748.db2.gz INQPJUMYRZSZLH-GRYCIOLGSA-N 0 3 237.318 3.044 20 0 BGADHN C[C@H](NC[C@@H]1CC[C@@H](C)O1)c1ccccc1F ZINC000128303403 387743187 /nfs/dbraw/zinc/74/31/87/387743187.db2.gz INQPJUMYRZSZLH-WOPDTQHZSA-N 0 3 237.318 3.044 20 0 BGADHN CC[C@@H]1CCCCCN1Cc1ccnn1CC ZINC000128342658 358574320 /nfs/dbraw/zinc/57/43/20/358574320.db2.gz GLZOGPNNCGQTHB-CYBMUJFWSA-N 0 3 235.375 3.058 20 0 BGADHN CC[C@H]1CCCCCN1Cc1ccnn1CC ZINC000128342903 387744936 /nfs/dbraw/zinc/74/49/36/387744936.db2.gz GLZOGPNNCGQTHB-ZDUSSCGKSA-N 0 3 235.375 3.058 20 0 BGADHN Cc1cc([C@H](C)NC[C@@H]2CC[C@H](C)O2)c(C)o1 ZINC000128448253 178250324 /nfs/dbraw/zinc/25/03/24/178250324.db2.gz DYIGBNQWUOJUTR-GAFUQQFSSA-N 0 3 237.343 3.115 20 0 BGADHN Cc1cc([C@H](C)NC[C@H]2CC[C@H](C)O2)c(C)o1 ZINC000128448723 178250552 /nfs/dbraw/zinc/25/05/52/178250552.db2.gz DYIGBNQWUOJUTR-XHVZSJERSA-N 0 3 237.343 3.115 20 0 BGADHN Cc1oncc1CN(C)CCC1CCCCC1 ZINC000128452030 388760120 /nfs/dbraw/zinc/76/01/20/388760120.db2.gz VKXFZLVKAZXLIZ-UHFFFAOYSA-N 0 3 236.359 3.385 20 0 BGADHN Cc1ccoc1CNC[C@@H](C)c1c(C)noc1C ZINC000128461233 385036862 /nfs/dbraw/zinc/03/68/62/385036862.db2.gz PBLSAFFTBRTYQQ-SNVBAGLBSA-N 0 3 248.326 3.086 20 0 BGADHN Cc1ccoc1CNC[C@H](C)c1c(C)noc1C ZINC000128461460 385036311 /nfs/dbraw/zinc/03/63/11/385036311.db2.gz PBLSAFFTBRTYQQ-JTQLQIEISA-N 0 3 248.326 3.086 20 0 BGADHN CCN(CCC(C)=O)[C@@H](C)c1cccc(OC)c1 ZINC000128462078 591074603 /nfs/dbraw/zinc/07/46/03/591074603.db2.gz DDXJXPFLPALLHO-ZDUSSCGKSA-N 0 3 249.354 3.057 20 0 BGADHN CCN(CCC(C)=O)[C@H](C)c1cccc(OC)c1 ZINC000128462340 591075497 /nfs/dbraw/zinc/07/54/97/591075497.db2.gz DDXJXPFLPALLHO-CYBMUJFWSA-N 0 3 249.354 3.057 20 0 BGADHN CCN(CCC(C)=O)[C@@H](C)c1ccc(F)cc1 ZINC000128463474 591075653 /nfs/dbraw/zinc/07/56/53/591075653.db2.gz DOAJARBFEOTDQH-LBPRGKRZSA-N 0 3 237.318 3.188 20 0 BGADHN CCN(CCC(C)=O)[C@H](C)c1ccc(F)cc1 ZINC000128463659 591075664 /nfs/dbraw/zinc/07/56/64/591075664.db2.gz DOAJARBFEOTDQH-GFCCVEGCSA-N 0 3 237.318 3.188 20 0 BGADHN Cc1ccccc1CCN[C@@H](C)c1cncs1 ZINC000128465326 179267718 /nfs/dbraw/zinc/26/77/18/179267718.db2.gz KJFOCZZSCFAENJ-LBPRGKRZSA-N 0 3 246.379 3.345 20 0 BGADHN Cc1ccccc1CCN[C@H](C)c1cncs1 ZINC000128465546 179267807 /nfs/dbraw/zinc/26/78/07/179267807.db2.gz KJFOCZZSCFAENJ-GFCCVEGCSA-N 0 3 246.379 3.345 20 0 BGADHN COCc1ccc(CNCCCC(C)(C)C)o1 ZINC000128475148 324843756 /nfs/dbraw/zinc/84/37/56/324843756.db2.gz MUIHIWXUMOHPCD-UHFFFAOYSA-N 0 3 239.359 3.342 20 0 BGADHN c1cc(-c2ccccc2)oc1CNCC1CC1 ZINC000128486154 183379766 /nfs/dbraw/zinc/37/97/66/183379766.db2.gz RLSHPARPPIRRBG-UHFFFAOYSA-N 0 3 227.307 3.446 20 0 BGADHN Cc1oncc1CNC(C)(C)CC(C)(C)C ZINC000128487427 388764671 /nfs/dbraw/zinc/76/46/71/388764671.db2.gz QDTCCSPOKVUSNK-UHFFFAOYSA-N 0 3 224.348 3.287 20 0 BGADHN CC(C)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000128491180 167029069 /nfs/dbraw/zinc/02/90/69/167029069.db2.gz JISRVJCCGVFILW-NSHDSACASA-N 0 3 239.746 3.202 20 0 BGADHN CC(C)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000128491409 188085308 /nfs/dbraw/zinc/08/53/08/188085308.db2.gz JISRVJCCGVFILW-LLVKDONJSA-N 0 3 239.746 3.202 20 0 BGADHN Cc1ccc(CNCCCc2cccs2)o1 ZINC000128517099 322947025 /nfs/dbraw/zinc/94/70/25/322947025.db2.gz RSZOJFIJOGWSGJ-UHFFFAOYSA-N 0 3 235.352 3.372 20 0 BGADHN CC(=O)CCN(Cc1ccc(C)s1)C(C)C ZINC000128518120 187297877 /nfs/dbraw/zinc/29/78/77/187297877.db2.gz GPYJWNKTDXDRLW-UHFFFAOYSA-N 0 3 239.384 3.246 20 0 BGADHN Cc1ccoc1CNCCCc1cccs1 ZINC000128523429 343174547 /nfs/dbraw/zinc/17/45/47/343174547.db2.gz NETYWJRRGJWVNT-UHFFFAOYSA-N 0 3 235.352 3.372 20 0 BGADHN CC[C@@H](C)[C@@H](C)N(Cc1cnoc1C)C1CC1 ZINC000128525017 388767640 /nfs/dbraw/zinc/76/76/40/388767640.db2.gz IXOCDLSSVXTNGZ-GHMZBOCLSA-N 0 3 236.359 3.382 20 0 BGADHN CC[C@H](C)[C@@H](C)N(Cc1cnoc1C)C1CC1 ZINC000128525225 388768105 /nfs/dbraw/zinc/76/81/05/388768105.db2.gz IXOCDLSSVXTNGZ-WDEREUQCSA-N 0 3 236.359 3.382 20 0 BGADHN CC[C@@H](C)[C@H](C)N(Cc1cnoc1C)C1CC1 ZINC000128525430 388768416 /nfs/dbraw/zinc/76/84/16/388768416.db2.gz IXOCDLSSVXTNGZ-MNOVXSKESA-N 0 3 236.359 3.382 20 0 BGADHN CC[C@H](C)[C@H](C)N(Cc1cnoc1C)C1CC1 ZINC000128525688 388768750 /nfs/dbraw/zinc/76/87/50/388768750.db2.gz IXOCDLSSVXTNGZ-QWRGUYRKSA-N 0 3 236.359 3.382 20 0 BGADHN c1csc(CCCNCc2ccoc2)c1 ZINC000128526669 591111948 /nfs/dbraw/zinc/11/19/48/591111948.db2.gz ZHOSUMXVYUQYGP-UHFFFAOYSA-N 0 3 221.325 3.064 20 0 BGADHN CCc1ccc(CN[C@@H]2CC[C@H](C)C2)o1 ZINC000128528847 384951529 /nfs/dbraw/zinc/95/15/29/384951529.db2.gz YELWFUJMFOVUEN-WDEREUQCSA-N 0 3 207.317 3.120 20 0 BGADHN CCc1ccc(CN[C@H]2CC[C@H](C)C2)o1 ZINC000128529061 384953750 /nfs/dbraw/zinc/95/37/50/384953750.db2.gz YELWFUJMFOVUEN-QWRGUYRKSA-N 0 3 207.317 3.120 20 0 BGADHN CCc1ccc(CN[C@@H]2CC[C@@H](C)C2)o1 ZINC000128529273 384953312 /nfs/dbraw/zinc/95/33/12/384953312.db2.gz YELWFUJMFOVUEN-GHMZBOCLSA-N 0 3 207.317 3.120 20 0 BGADHN CCc1ccc(CN[C@H]2CC[C@@H](C)C2)o1 ZINC000128529496 384953126 /nfs/dbraw/zinc/95/31/26/384953126.db2.gz YELWFUJMFOVUEN-MNOVXSKESA-N 0 3 207.317 3.120 20 0 BGADHN C[C@H](N[C@H]1CC[C@@H](C)C1)c1ccc(F)cn1 ZINC000128535161 387750893 /nfs/dbraw/zinc/75/08/93/387750893.db2.gz RZHGTYBNJNMBRA-SCVCMEIPSA-N 0 3 222.307 3.060 20 0 BGADHN C[C@H](N[C@@H]1CC[C@@H](C)C1)c1ccc(F)cn1 ZINC000128535596 387749639 /nfs/dbraw/zinc/74/96/39/387749639.db2.gz RZHGTYBNJNMBRA-JFGNBEQYSA-N 0 3 222.307 3.060 20 0 BGADHN C[C@@H](NC[C@H]1CC[C@@H](C)O1)c1ccc(F)cc1 ZINC000128540629 176227210 /nfs/dbraw/zinc/22/72/10/176227210.db2.gz IGPCWPQZCZJPHM-JTNHKYCSSA-N 0 3 237.318 3.044 20 0 BGADHN C[C@@H](NC[C@@H]1CC[C@@H](C)O1)c1ccc(F)cc1 ZINC000128541087 176206566 /nfs/dbraw/zinc/20/65/66/176206566.db2.gz IGPCWPQZCZJPHM-GYSYKLTISA-N 0 3 237.318 3.044 20 0 BGADHN C[C@@H](NC[C@H]1CC[C@@H](C)O1)c1cccc(F)c1 ZINC000128547017 176227407 /nfs/dbraw/zinc/22/74/07/176227407.db2.gz PHKAFDZYDGAOMJ-JTNHKYCSSA-N 0 3 237.318 3.044 20 0 BGADHN C[C@@H](NC[C@@H]1CC[C@@H](C)O1)c1cccc(F)c1 ZINC000128547421 176206349 /nfs/dbraw/zinc/20/63/49/176206349.db2.gz PHKAFDZYDGAOMJ-GYSYKLTISA-N 0 3 237.318 3.044 20 0 BGADHN C[C@@H](NC[C@H]1CC[C@@H](C)O1)c1ccccc1F ZINC000128551791 176226796 /nfs/dbraw/zinc/22/67/96/176226796.db2.gz INQPJUMYRZSZLH-IJLUTSLNSA-N 0 3 237.318 3.044 20 0 BGADHN C[C@@H](NC[C@@H]1CC[C@@H](C)O1)c1ccccc1F ZINC000128552230 176206262 /nfs/dbraw/zinc/20/62/62/176206262.db2.gz INQPJUMYRZSZLH-UTUOFQBUSA-N 0 3 237.318 3.044 20 0 BGADHN C[C@@H]1CC[C@H](NCc2cccc(F)c2F)C1 ZINC000128555052 490581781 /nfs/dbraw/zinc/58/17/81/490581781.db2.gz HCQDVNFRTCICKN-KOLCDFICSA-N 0 3 225.282 3.243 20 0 BGADHN C[C@H]1CC[C@H](NCc2cccc(F)c2F)C1 ZINC000128555278 490582149 /nfs/dbraw/zinc/58/21/49/490582149.db2.gz HCQDVNFRTCICKN-ONGXEEELSA-N 0 3 225.282 3.243 20 0 BGADHN C[C@@H]1CC[C@@H](NCc2cccc(F)c2F)C1 ZINC000128555502 490582049 /nfs/dbraw/zinc/58/20/49/490582049.db2.gz HCQDVNFRTCICKN-MWLCHTKSSA-N 0 3 225.282 3.243 20 0 BGADHN C[C@H]1CC[C@@H](NCc2cccc(F)c2F)C1 ZINC000128555704 490582105 /nfs/dbraw/zinc/58/21/05/490582105.db2.gz HCQDVNFRTCICKN-GXSJLCMTSA-N 0 3 225.282 3.243 20 0 BGADHN Cc1ccc(CNC[C@@H](C)c2c(C)noc2C)o1 ZINC000128595787 385053354 /nfs/dbraw/zinc/05/33/54/385053354.db2.gz KTEMKKUNQPEXFN-SECBINFHSA-N 0 3 248.326 3.086 20 0 BGADHN Cc1ccc(CNC[C@H](C)c2c(C)noc2C)o1 ZINC000128596035 385050750 /nfs/dbraw/zinc/05/07/50/385050750.db2.gz KTEMKKUNQPEXFN-VIFPVBQESA-N 0 3 248.326 3.086 20 0 BGADHN Cc1oncc1CN1CCC[C@H](C(C)C)CC1 ZINC000128651280 388779109 /nfs/dbraw/zinc/77/91/09/388779109.db2.gz YRWZZYYYXHPFIL-ZDUSSCGKSA-N 0 3 236.359 3.241 20 0 BGADHN Cc1oncc1CN1CCC[C@@H](C(C)C)CC1 ZINC000128651574 388779793 /nfs/dbraw/zinc/77/97/93/388779793.db2.gz YRWZZYYYXHPFIL-CYBMUJFWSA-N 0 3 236.359 3.241 20 0 BGADHN CC(C)COCCN[C@@H](C)c1ccccc1 ZINC000128658117 385059627 /nfs/dbraw/zinc/05/96/27/385059627.db2.gz KADTUZHBKYYVRE-ZDUSSCGKSA-N 0 3 221.344 3.010 20 0 BGADHN CC(C)COCCN[C@H](C)c1ccccc1 ZINC000128658357 385060523 /nfs/dbraw/zinc/06/05/23/385060523.db2.gz KADTUZHBKYYVRE-CYBMUJFWSA-N 0 3 221.344 3.010 20 0 BGADHN Cc1ccc(Cl)c(NC2CCN(C)CC2)c1 ZINC000128675655 385063965 /nfs/dbraw/zinc/06/39/65/385063965.db2.gz CWOMWYACZQVFJN-UHFFFAOYSA-N 0 3 238.762 3.155 20 0 BGADHN Cc1oncc1CN1CCC2(CCCC2)CC1 ZINC000128692231 350034414 /nfs/dbraw/zinc/03/44/14/350034414.db2.gz BRYFIRFCVPIBPG-UHFFFAOYSA-N 0 3 234.343 3.139 20 0 BGADHN Cc1cc(Cl)ccc1CNCc1cccnc1 ZINC000128697347 323007589 /nfs/dbraw/zinc/00/75/89/323007589.db2.gz IKXMRPJXCGFFKM-UHFFFAOYSA-N 0 3 246.741 3.333 20 0 BGADHN C[C@H](N[C@@H]1CCc2ccccc21)c1cncs1 ZINC000128723186 385066692 /nfs/dbraw/zinc/06/66/92/385066692.db2.gz SAIPYJPCJFSCJR-GXFFZTMASA-N 0 3 244.363 3.481 20 0 BGADHN C[C@@H](N[C@@H]1CCc2ccccc21)c1cncs1 ZINC000128723406 385066494 /nfs/dbraw/zinc/06/64/94/385066494.db2.gz SAIPYJPCJFSCJR-ZWNOBZJWSA-N 0 3 244.363 3.481 20 0 BGADHN C[C@H](N[C@H]1CCc2ccccc21)c1cncs1 ZINC000128723645 385066347 /nfs/dbraw/zinc/06/63/47/385066347.db2.gz SAIPYJPCJFSCJR-GWCFXTLKSA-N 0 3 244.363 3.481 20 0 BGADHN C[C@@H](N[C@H]1CCc2ccccc21)c1cncs1 ZINC000128723870 385065639 /nfs/dbraw/zinc/06/56/39/385065639.db2.gz SAIPYJPCJFSCJR-MFKMUULPSA-N 0 3 244.363 3.481 20 0 BGADHN CCCC[C@@H](CC)CCNCc1cc[nH]n1 ZINC000128732009 343175452 /nfs/dbraw/zinc/17/54/52/343175452.db2.gz LFIZZIILTDUKLG-GFCCVEGCSA-N 0 3 223.364 3.106 20 0 BGADHN CCCC[C@H](CC)CCNCc1cc[nH]n1 ZINC000128732226 343175537 /nfs/dbraw/zinc/17/55/37/343175537.db2.gz LFIZZIILTDUKLG-LBPRGKRZSA-N 0 3 223.364 3.106 20 0 BGADHN CCC[C@]1(C)CCCN(Cc2cnoc2C)C1 ZINC000128759722 388790303 /nfs/dbraw/zinc/79/03/03/388790303.db2.gz BTHIGHJTZMOVPU-CQSZACIVSA-N 0 3 236.359 3.385 20 0 BGADHN CCC[C@@]1(C)CCCN(Cc2cnoc2C)C1 ZINC000128759913 388791115 /nfs/dbraw/zinc/79/11/15/388791115.db2.gz BTHIGHJTZMOVPU-AWEZNQCLSA-N 0 3 236.359 3.385 20 0 BGADHN CCCN1CC[C@H](Oc2ccccc2Cl)C1 ZINC000128773564 388792893 /nfs/dbraw/zinc/79/28/93/388792893.db2.gz FEKUUKKUJBATSJ-NSHDSACASA-N 0 3 239.746 3.203 20 0 BGADHN CCCN1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000128773774 388793618 /nfs/dbraw/zinc/79/36/18/388793618.db2.gz FEKUUKKUJBATSJ-LLVKDONJSA-N 0 3 239.746 3.203 20 0 BGADHN Cc1cc(Cl)ccc1CN1CCCC1 ZINC000128789057 178066554 /nfs/dbraw/zinc/06/65/54/178066554.db2.gz FCLYTTRXIJYXTM-UHFFFAOYSA-N 0 3 209.720 3.244 20 0 BGADHN CCCC(C)(C)NCc1ccncc1Cl ZINC000128808065 490591832 /nfs/dbraw/zinc/59/18/32/490591832.db2.gz VVWQVTDNEBWWIH-UHFFFAOYSA-N 0 3 226.751 3.403 20 0 BGADHN CO[C@H](C)[C@H](C)N[C@@H](C)c1cc(F)ccc1F ZINC000128810550 385072659 /nfs/dbraw/zinc/07/26/59/385072659.db2.gz SIAYCTZLRUILOV-LPEHRKFASA-N 0 3 243.297 3.039 20 0 BGADHN CO[C@H](C)[C@H](C)N[C@H](C)c1cc(F)ccc1F ZINC000128810797 385073353 /nfs/dbraw/zinc/07/33/53/385073353.db2.gz SIAYCTZLRUILOV-IVZWLZJFSA-N 0 3 243.297 3.039 20 0 BGADHN CO[C@H](C)[C@@H](C)N[C@@H](C)c1cc(F)ccc1F ZINC000128810993 385073747 /nfs/dbraw/zinc/07/37/47/385073747.db2.gz SIAYCTZLRUILOV-KXUCPTDWSA-N 0 3 243.297 3.039 20 0 BGADHN CO[C@H](C)[C@@H](C)N[C@H](C)c1cc(F)ccc1F ZINC000128811163 385072767 /nfs/dbraw/zinc/07/27/67/385072767.db2.gz SIAYCTZLRUILOV-OPRDCNLKSA-N 0 3 243.297 3.039 20 0 BGADHN CC[C@@H]1CCCN(Cc2cncs2)CC1 ZINC000128829364 345245831 /nfs/dbraw/zinc/24/58/31/345245831.db2.gz JYASITBZESRNEK-LLVKDONJSA-N 0 3 224.373 3.155 20 0 BGADHN CC[C@H]1CCCN(Cc2cncs2)CC1 ZINC000128829587 385077550 /nfs/dbraw/zinc/07/75/50/385077550.db2.gz JYASITBZESRNEK-NSHDSACASA-N 0 3 224.373 3.155 20 0 BGADHN CCCn1cc(CN2CCC[C@H](CC)CC2)cn1 ZINC000128838953 387757134 /nfs/dbraw/zinc/75/71/34/387757134.db2.gz MJTLSZBMSCPLHR-AWEZNQCLSA-N 0 3 249.402 3.305 20 0 BGADHN CCCn1cc(CN2CCC[C@@H](CC)CC2)cn1 ZINC000128839185 387758269 /nfs/dbraw/zinc/75/82/69/387758269.db2.gz MJTLSZBMSCPLHR-CQSZACIVSA-N 0 3 249.402 3.305 20 0 BGADHN CC(C)(C)CCNCc1nc2c(s1)CCC2 ZINC000128855130 591168209 /nfs/dbraw/zinc/16/82/09/591168209.db2.gz VYPRFFDLVSQWEX-UHFFFAOYSA-N 0 3 238.400 3.158 20 0 BGADHN C[C@H]1C[C@H]1c1ccc(CNC2CC(C)C2)o1 ZINC000128861272 168146658 /nfs/dbraw/zinc/14/66/58/168146658.db2.gz HZIQVMUZWBEDNR-MEVFXHMWSA-N 0 3 219.328 3.291 20 0 BGADHN C[C@H]1C[C@@H]1c1ccc(CNC2CC(C)C2)o1 ZINC000128861506 168146943 /nfs/dbraw/zinc/14/69/43/168146943.db2.gz HZIQVMUZWBEDNR-JJGGINFWSA-N 0 3 219.328 3.291 20 0 BGADHN C[C@@H]1C[C@H]1c1ccc(CNC2CC(C)C2)o1 ZINC000128861722 168147534 /nfs/dbraw/zinc/14/75/34/168147534.db2.gz HZIQVMUZWBEDNR-SPGNQXPMSA-N 0 3 219.328 3.291 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CNC2CC(C)C2)o1 ZINC000128861906 168147509 /nfs/dbraw/zinc/14/75/09/168147509.db2.gz HZIQVMUZWBEDNR-DTZXXLCVSA-N 0 3 219.328 3.291 20 0 BGADHN CC1CC(NCc2cc3ccccc3o2)C1 ZINC000128868582 168147041 /nfs/dbraw/zinc/14/70/41/168147041.db2.gz ZFWWZTDGQPKOKK-UHFFFAOYSA-N 0 3 215.296 3.321 20 0 BGADHN CC1CC(NCc2cnc(C(C)(C)C)s2)C1 ZINC000128869588 168146758 /nfs/dbraw/zinc/14/67/58/168146758.db2.gz OFVXXZTYXCAXJC-UHFFFAOYSA-N 0 3 238.400 3.329 20 0 BGADHN CC1CC(NCc2ccccc2Cl)C1 ZINC000128870972 168146891 /nfs/dbraw/zinc/14/68/91/168146891.db2.gz IBGIFESGEVVFFS-UHFFFAOYSA-N 0 3 209.720 3.228 20 0 BGADHN CC[C@H](NCc1nc2c(s1)CCC2)C(C)C ZINC000128871314 591170829 /nfs/dbraw/zinc/17/08/29/591170829.db2.gz YYIDPPJOGREETF-JTQLQIEISA-N 0 3 238.400 3.156 20 0 BGADHN CC[C@@H](NCc1nc2c(s1)CCC2)C(C)C ZINC000128871518 591171383 /nfs/dbraw/zinc/17/13/83/591171383.db2.gz YYIDPPJOGREETF-SNVBAGLBSA-N 0 3 238.400 3.156 20 0 BGADHN CC1CC(NCc2c(F)cccc2Cl)C1 ZINC000128875608 168147460 /nfs/dbraw/zinc/14/74/60/168147460.db2.gz YZXYUJFXRGFKAJ-UHFFFAOYSA-N 0 3 227.710 3.367 20 0 BGADHN COc1ccc(Cl)cc1CNC1CC(C)C1 ZINC000128878048 591172139 /nfs/dbraw/zinc/17/21/39/591172139.db2.gz YBMMDOSLJFUMEB-UHFFFAOYSA-N 0 3 239.746 3.237 20 0 BGADHN Cc1oncc1CN(C)C1CCC(C)(C)CC1 ZINC000128880294 388801928 /nfs/dbraw/zinc/80/19/28/388801928.db2.gz DYKNEXVOIYDEGF-UHFFFAOYSA-N 0 3 236.359 3.384 20 0 BGADHN CC(C)OCCN[C@@H](C)c1ccc(F)c(F)c1 ZINC000128884567 167243062 /nfs/dbraw/zinc/24/30/62/167243062.db2.gz JXJIZYYJBQRTQL-JTQLQIEISA-N 0 3 243.297 3.040 20 0 BGADHN CC(C)OCCN[C@H](C)c1ccc(F)c(F)c1 ZINC000128884791 167243377 /nfs/dbraw/zinc/24/33/77/167243377.db2.gz JXJIZYYJBQRTQL-SNVBAGLBSA-N 0 3 243.297 3.040 20 0 BGADHN CC[C@@H](C)C[C@@H](C)NCc1ccc(COC)o1 ZINC000128885436 398289996 /nfs/dbraw/zinc/28/99/96/398289996.db2.gz JDLBFCUJYMVBED-VXGBXAGGSA-N 0 3 239.359 3.340 20 0 BGADHN CC[C@H](C)C[C@@H](C)NCc1ccc(COC)o1 ZINC000128885675 171295035 /nfs/dbraw/zinc/29/50/35/171295035.db2.gz JDLBFCUJYMVBED-NWDGAFQWSA-N 0 3 239.359 3.340 20 0 BGADHN CC[C@@H](C)C[C@H](C)NCc1ccc(COC)o1 ZINC000128885889 398290023 /nfs/dbraw/zinc/29/00/23/398290023.db2.gz JDLBFCUJYMVBED-NEPJUHHUSA-N 0 3 239.359 3.340 20 0 BGADHN CC[C@H](C)C[C@H](C)NCc1ccc(COC)o1 ZINC000128886123 171298318 /nfs/dbraw/zinc/29/83/18/171298318.db2.gz JDLBFCUJYMVBED-RYUDHWBXSA-N 0 3 239.359 3.340 20 0 BGADHN CC1(NCc2nc3c(s2)CCC3)CCCC1 ZINC000128897905 490593400 /nfs/dbraw/zinc/59/34/00/490593400.db2.gz KXFLUWKXISXFJS-UHFFFAOYSA-N 0 3 236.384 3.054 20 0 BGADHN Cc1oncc1CN1CCC[C@H](CC(C)C)C1 ZINC000128901117 388802209 /nfs/dbraw/zinc/80/22/09/388802209.db2.gz UKODQOICOOZGNC-CYBMUJFWSA-N 0 3 236.359 3.241 20 0 BGADHN Cc1oncc1CN1CCC[C@@H](CC(C)C)C1 ZINC000128901362 323007808 /nfs/dbraw/zinc/00/78/08/323007808.db2.gz UKODQOICOOZGNC-ZDUSSCGKSA-N 0 3 236.359 3.241 20 0 BGADHN CCC[C@@H](CC)NCc1nc2c(s1)CCC2 ZINC000128901896 591176293 /nfs/dbraw/zinc/17/62/93/591176293.db2.gz PZYBYGKPWKNJQC-SNVBAGLBSA-N 0 3 238.400 3.300 20 0 BGADHN CCC[C@H](CC)NCc1nc2c(s1)CCC2 ZINC000128902100 591175729 /nfs/dbraw/zinc/17/57/29/591175729.db2.gz PZYBYGKPWKNJQC-JTQLQIEISA-N 0 3 238.400 3.300 20 0 BGADHN C[C@@H]1CC[C@H](NCc2ccncc2Cl)C1 ZINC000128934045 591189626 /nfs/dbraw/zinc/18/96/26/591189626.db2.gz UXMDLDXBPBKWRP-KOLCDFICSA-N 0 3 224.735 3.013 20 0 BGADHN C[C@H]1CC[C@H](NCc2ccncc2Cl)C1 ZINC000128934287 591189378 /nfs/dbraw/zinc/18/93/78/591189378.db2.gz UXMDLDXBPBKWRP-ONGXEEELSA-N 0 3 224.735 3.013 20 0 BGADHN C[C@@H]1CC[C@@H](NCc2ccncc2Cl)C1 ZINC000128934496 591189317 /nfs/dbraw/zinc/18/93/17/591189317.db2.gz UXMDLDXBPBKWRP-MWLCHTKSSA-N 0 3 224.735 3.013 20 0 BGADHN C[C@H]1CC[C@@H](NCc2ccncc2Cl)C1 ZINC000128934716 591189497 /nfs/dbraw/zinc/18/94/97/591189497.db2.gz UXMDLDXBPBKWRP-GXSJLCMTSA-N 0 3 224.735 3.013 20 0 BGADHN C[C@H](NC1CCC1)c1cnn(-c2ccccc2)c1 ZINC000128934788 591189469 /nfs/dbraw/zinc/18/94/69/591189469.db2.gz OYVQVHBJTLSEBY-LBPRGKRZSA-N 0 3 241.338 3.075 20 0 BGADHN C[C@@H](NC1CCC1)c1cnn(-c2ccccc2)c1 ZINC000128935007 591190272 /nfs/dbraw/zinc/19/02/72/591190272.db2.gz OYVQVHBJTLSEBY-GFCCVEGCSA-N 0 3 241.338 3.075 20 0 BGADHN Cc1oncc1CN1CCC[C@@H]1CCC(C)C ZINC000128951838 388805893 /nfs/dbraw/zinc/80/58/93/388805893.db2.gz SBRQWCIWGCRQGS-CQSZACIVSA-N 0 3 236.359 3.384 20 0 BGADHN Cc1oncc1CN1CCC[C@H]1CCC(C)C ZINC000128952052 388805762 /nfs/dbraw/zinc/80/57/62/388805762.db2.gz SBRQWCIWGCRQGS-AWEZNQCLSA-N 0 3 236.359 3.384 20 0 BGADHN CCSCCN[C@@H](C)c1ccsc1 ZINC000128952686 350911025 /nfs/dbraw/zinc/91/10/25/350911025.db2.gz VKTGHPPVLWDXGH-VIFPVBQESA-N 0 3 215.387 3.152 20 0 BGADHN CCSCCN[C@H](C)c1ccsc1 ZINC000128952896 350916598 /nfs/dbraw/zinc/91/65/98/350916598.db2.gz VKTGHPPVLWDXGH-SECBINFHSA-N 0 3 215.387 3.152 20 0 BGADHN CC1(C)CC[C@H](NCc2ccncc2Cl)C1 ZINC000128989636 323008050 /nfs/dbraw/zinc/00/80/50/323008050.db2.gz NGCDFPYWZWMTMG-NSHDSACASA-N 0 3 238.762 3.403 20 0 BGADHN CC1(C)CC[C@@H](NCc2ccncc2Cl)C1 ZINC000128989868 323008088 /nfs/dbraw/zinc/00/80/88/323008088.db2.gz NGCDFPYWZWMTMG-LLVKDONJSA-N 0 3 238.762 3.403 20 0 BGADHN Cc1ccc(F)cc1CNCCc1ccco1 ZINC000129010090 388810078 /nfs/dbraw/zinc/81/00/78/388810078.db2.gz JGJJVUPXBYDAJO-UHFFFAOYSA-N 0 3 233.286 3.059 20 0 BGADHN C[C@@H]1CC[C@H](NCc2ccn(C3CCCC3)n2)C1 ZINC000129037251 388813185 /nfs/dbraw/zinc/81/31/85/388813185.db2.gz MRWOPTOLEGUWNY-OLZOCXBDSA-N 0 3 247.386 3.276 20 0 BGADHN C[C@H]1CC[C@H](NCc2ccn(C3CCCC3)n2)C1 ZINC000129037487 388813007 /nfs/dbraw/zinc/81/30/07/388813007.db2.gz MRWOPTOLEGUWNY-STQMWFEESA-N 0 3 247.386 3.276 20 0 BGADHN C[C@@H]1CC[C@@H](NCc2ccn(C3CCCC3)n2)C1 ZINC000129037724 388813346 /nfs/dbraw/zinc/81/33/46/388813346.db2.gz MRWOPTOLEGUWNY-CHWSQXEVSA-N 0 3 247.386 3.276 20 0 BGADHN C[C@H]1CC[C@@H](NCc2ccn(C3CCCC3)n2)C1 ZINC000129037947 388813797 /nfs/dbraw/zinc/81/37/97/388813797.db2.gz MRWOPTOLEGUWNY-QWHCGFSZSA-N 0 3 247.386 3.276 20 0 BGADHN Cc1oncc1CN(C(C)C)C1CCCC1 ZINC000129043337 388812792 /nfs/dbraw/zinc/81/27/92/388812792.db2.gz BGBOGZBQXYVDHL-UHFFFAOYSA-N 0 3 222.332 3.136 20 0 BGADHN CCSCCN[C@@H](C)c1ccccc1OC ZINC000129051453 385103440 /nfs/dbraw/zinc/10/34/40/385103440.db2.gz LJZMDMRXEFDVFO-NSHDSACASA-N 0 3 239.384 3.099 20 0 BGADHN CCSCCN[C@H](C)c1ccccc1OC ZINC000129051665 385104735 /nfs/dbraw/zinc/10/47/35/385104735.db2.gz LJZMDMRXEFDVFO-LLVKDONJSA-N 0 3 239.384 3.099 20 0 BGADHN CCCCOCCNCc1cc(F)ccc1C ZINC000129053937 358583895 /nfs/dbraw/zinc/58/38/95/358583895.db2.gz BJUDVQYHSQHXJL-UHFFFAOYSA-N 0 3 239.334 3.040 20 0 BGADHN CCSCCCN[C@@H](C)c1ccco1 ZINC000129054534 582715595 /nfs/dbraw/zinc/71/55/95/582715595.db2.gz DAKZPYFAHVEXOU-JTQLQIEISA-N 0 3 213.346 3.073 20 0 BGADHN CCSCCCN[C@H](C)c1ccco1 ZINC000129054786 582715403 /nfs/dbraw/zinc/71/54/03/582715403.db2.gz DAKZPYFAHVEXOU-SNVBAGLBSA-N 0 3 213.346 3.073 20 0 BGADHN CCC1(NCc2ccc(F)cc2F)CCC1 ZINC000129058025 388814521 /nfs/dbraw/zinc/81/45/21/388814521.db2.gz YFYSXCRBNJVRGK-UHFFFAOYSA-N 0 3 225.282 3.387 20 0 BGADHN CCC1(NCc2ccc(Cl)o2)CCC1 ZINC000129059494 487875724 /nfs/dbraw/zinc/87/57/24/487875724.db2.gz PGWATLJFOZVSSR-UHFFFAOYSA-N 0 3 213.708 3.355 20 0 BGADHN CCC1(NCc2cc(F)ccc2F)CCC1 ZINC000129067542 388815618 /nfs/dbraw/zinc/81/56/18/388815618.db2.gz XQVQNKFROJNFTC-UHFFFAOYSA-N 0 3 225.282 3.387 20 0 BGADHN CCC1(NCc2ccccc2F)CCC1 ZINC000129068858 388814894 /nfs/dbraw/zinc/81/48/94/388814894.db2.gz SAOYDKURPRFZJI-UHFFFAOYSA-N 0 3 207.292 3.248 20 0 BGADHN CCC1(NCc2cccc(F)c2F)CCC1 ZINC000129073483 324914359 /nfs/dbraw/zinc/91/43/59/324914359.db2.gz GYXGATSRVZSXNC-UHFFFAOYSA-N 0 3 225.282 3.387 20 0 BGADHN CCc1nc(CNC2(CC)CCC2)cs1 ZINC000129075370 344210522 /nfs/dbraw/zinc/21/05/22/344210522.db2.gz PJMJASGXGKLMTP-UHFFFAOYSA-N 0 3 224.373 3.128 20 0 BGADHN CC[C@@H](C)CN[C@@H]1COc2ccc(Cl)cc21 ZINC000129076935 388814724 /nfs/dbraw/zinc/81/47/24/388814724.db2.gz DVICRFZBBIMKJG-BXKDBHETSA-N 0 3 239.746 3.409 20 0 BGADHN CC[C@H](C)CN[C@@H]1COc2ccc(Cl)cc21 ZINC000129077118 388815031 /nfs/dbraw/zinc/81/50/31/388815031.db2.gz DVICRFZBBIMKJG-JOYOIKCWSA-N 0 3 239.746 3.409 20 0 BGADHN CC[C@@H](C)CN[C@H]1COc2ccc(Cl)cc21 ZINC000129077328 388815067 /nfs/dbraw/zinc/81/50/67/388815067.db2.gz DVICRFZBBIMKJG-SKDRFNHKSA-N 0 3 239.746 3.409 20 0 BGADHN CC[C@H](C)CN[C@H]1COc2ccc(Cl)cc21 ZINC000129077528 388815644 /nfs/dbraw/zinc/81/56/44/388815644.db2.gz DVICRFZBBIMKJG-CABZTGNLSA-N 0 3 239.746 3.409 20 0 BGADHN CC(C)Oc1ncccc1CN[C@@H](C)CC1CC1 ZINC000129084058 490355095 /nfs/dbraw/zinc/35/50/95/490355095.db2.gz FBGYEHHJSGAOQW-LBPRGKRZSA-N 0 3 248.370 3.147 20 0 BGADHN CC(C)Oc1ncccc1CN[C@H](C)CC1CC1 ZINC000129084275 490600202 /nfs/dbraw/zinc/60/02/02/490600202.db2.gz FBGYEHHJSGAOQW-GFCCVEGCSA-N 0 3 248.370 3.147 20 0 BGADHN COCc1ccc(CN[C@H]2CCCC2(C)C)o1 ZINC000129114560 384980924 /nfs/dbraw/zinc/98/09/24/384980924.db2.gz VUWNPXPPEURHRQ-ZDUSSCGKSA-N 0 3 237.343 3.094 20 0 BGADHN COCc1ccc(CN[C@@H]2CCCC2(C)C)o1 ZINC000129114778 384980119 /nfs/dbraw/zinc/98/01/19/384980119.db2.gz VUWNPXPPEURHRQ-CYBMUJFWSA-N 0 3 237.343 3.094 20 0 BGADHN Cc1oncc1CN1CCCC[C@@H]1CC(C)C ZINC000129128572 388819736 /nfs/dbraw/zinc/81/97/36/388819736.db2.gz UNQQAJHZOCRJSC-CQSZACIVSA-N 0 3 236.359 3.384 20 0 BGADHN Cc1oncc1CN1CCCC[C@H]1CC(C)C ZINC000129128809 388820052 /nfs/dbraw/zinc/82/00/52/388820052.db2.gz UNQQAJHZOCRJSC-AWEZNQCLSA-N 0 3 236.359 3.384 20 0 BGADHN CCC1(CNCc2ccc(COC)o2)CCC1 ZINC000129180648 384985291 /nfs/dbraw/zinc/98/52/91/384985291.db2.gz RLEMWEYPOKPMPG-UHFFFAOYSA-N 0 3 237.343 3.096 20 0 BGADHN C[C@@H](c1cccc(F)c1)N1CCCSCC1 ZINC000129249833 176018331 /nfs/dbraw/zinc/01/83/31/176018331.db2.gz PDRHRTIUHOFQAZ-NSHDSACASA-N 0 3 239.359 3.326 20 0 BGADHN C[C@H](c1cccc(F)c1)N1CCCSCC1 ZINC000129250054 177036753 /nfs/dbraw/zinc/03/67/53/177036753.db2.gz PDRHRTIUHOFQAZ-LLVKDONJSA-N 0 3 239.359 3.326 20 0 BGADHN C[C@@H](CC1CCC1)NCc1cccc2c1OCO2 ZINC000129268226 490619021 /nfs/dbraw/zinc/61/90/21/490619021.db2.gz YNAYCLQWPOQIIA-NSHDSACASA-N 0 3 247.338 3.084 20 0 BGADHN C[C@H](CC1CCC1)NCc1cccc2c1OCO2 ZINC000129268416 490618997 /nfs/dbraw/zinc/61/89/97/490618997.db2.gz YNAYCLQWPOQIIA-LLVKDONJSA-N 0 3 247.338 3.084 20 0 BGADHN COc1ccc(C[C@H](C)NCc2ccoc2)cc1 ZINC000129299111 385138115 /nfs/dbraw/zinc/13/81/15/385138115.db2.gz LBSARJICWANPLI-LBPRGKRZSA-N 0 3 245.322 3.009 20 0 BGADHN COc1ccc(C[C@@H](C)NCc2ccoc2)cc1 ZINC000129299331 175115753 /nfs/dbraw/zinc/11/57/53/175115753.db2.gz LBSARJICWANPLI-GFCCVEGCSA-N 0 3 245.322 3.009 20 0 BGADHN C[C@H](NCCSC(C)(C)C)c1ccoc1 ZINC000129302617 591275719 /nfs/dbraw/zinc/27/57/19/591275719.db2.gz QZQOUZLRLNMFQX-JTQLQIEISA-N 0 3 227.373 3.462 20 0 BGADHN C[C@@H](NCCSC(C)(C)C)c1ccoc1 ZINC000129302846 591275687 /nfs/dbraw/zinc/27/56/87/591275687.db2.gz QZQOUZLRLNMFQX-SNVBAGLBSA-N 0 3 227.373 3.462 20 0 BGADHN C[C@H](NCCSC(C)(C)C)c1cncs1 ZINC000129310063 384987439 /nfs/dbraw/zinc/98/74/39/384987439.db2.gz CGGWDTHFHJKXGF-VIFPVBQESA-N 0 3 244.429 3.325 20 0 BGADHN C[C@@H](NCCSC(C)(C)C)c1cncs1 ZINC000129310263 384988575 /nfs/dbraw/zinc/98/85/75/384988575.db2.gz CGGWDTHFHJKXGF-SECBINFHSA-N 0 3 244.429 3.325 20 0 BGADHN Clc1ccc2c(c1)C[C@H](NCc1ccoc1)C2 ZINC000129312774 387768257 /nfs/dbraw/zinc/76/82/57/387768257.db2.gz SQMHVNYCYZFUGS-CQSZACIVSA-N 0 3 247.725 3.190 20 0 BGADHN Clc1ccc2c(c1)C[C@@H](NCc1ccoc1)C2 ZINC000129313033 180586712 /nfs/dbraw/zinc/58/67/12/180586712.db2.gz SQMHVNYCYZFUGS-AWEZNQCLSA-N 0 3 247.725 3.190 20 0 BGADHN CC[C@@H]1CCC[C@@H]1NCc1ccc(COC)o1 ZINC000129335825 344212668 /nfs/dbraw/zinc/21/26/68/344212668.db2.gz GJZNMNVSGCTLTG-RISCZKNCSA-N 0 3 237.343 3.094 20 0 BGADHN CC[C@H]1CCC[C@@H]1NCc1ccc(COC)o1 ZINC000129336048 384991711 /nfs/dbraw/zinc/99/17/11/384991711.db2.gz GJZNMNVSGCTLTG-FZMZJTMJSA-N 0 3 237.343 3.094 20 0 BGADHN CC[C@@H]1CCC[C@H]1NCc1ccc(COC)o1 ZINC000129336257 171001235 /nfs/dbraw/zinc/00/12/35/171001235.db2.gz GJZNMNVSGCTLTG-BXUZGUMPSA-N 0 3 237.343 3.094 20 0 BGADHN CC[C@H]1CCC[C@H]1NCc1ccc(COC)o1 ZINC000129336512 384990919 /nfs/dbraw/zinc/99/09/19/384990919.db2.gz GJZNMNVSGCTLTG-SMDDNHRTSA-N 0 3 237.343 3.094 20 0 BGADHN c1cc(CNC2CCC3(CCCC3)CC2)n[nH]1 ZINC000129347178 343176515 /nfs/dbraw/zinc/17/65/15/343176515.db2.gz PUIVFHSZRSECOV-UHFFFAOYSA-N 0 3 233.359 3.002 20 0 BGADHN CC(C)c1ccc(CN[C@@H]2C[C@H](O)C2(C)C)cc1 ZINC000129349147 388833021 /nfs/dbraw/zinc/83/30/21/388833021.db2.gz NBYMCTRLUXGQCK-CABCVRRESA-N 0 3 247.382 3.059 20 0 BGADHN CC(C)c1ccc(CN[C@H]2C[C@H](O)C2(C)C)cc1 ZINC000129349379 388832893 /nfs/dbraw/zinc/83/28/93/388832893.db2.gz NBYMCTRLUXGQCK-GJZGRUSLSA-N 0 3 247.382 3.059 20 0 BGADHN CC(C)c1ccc(CN[C@@H]2C[C@@H](O)C2(C)C)cc1 ZINC000129349593 388834230 /nfs/dbraw/zinc/83/42/30/388834230.db2.gz NBYMCTRLUXGQCK-HUUCEWRRSA-N 0 3 247.382 3.059 20 0 BGADHN CC(C)c1ccc(CN[C@H]2C[C@@H](O)C2(C)C)cc1 ZINC000129349796 388833241 /nfs/dbraw/zinc/83/32/41/388833241.db2.gz NBYMCTRLUXGQCK-LSDHHAIUSA-N 0 3 247.382 3.059 20 0 BGADHN COCC(C)(C)NCc1ccc(Cl)cc1C ZINC000129375801 388835071 /nfs/dbraw/zinc/83/50/71/388835071.db2.gz CVTZQIOTRQHWKQ-UHFFFAOYSA-N 0 3 241.762 3.163 20 0 BGADHN CCC[C@H](O)CN[C@@H](C)c1ccccc1Cl ZINC000129386437 385147147 /nfs/dbraw/zinc/14/71/47/385147147.db2.gz AWJFOTDOVIPFSO-QWRGUYRKSA-N 0 3 241.762 3.152 20 0 BGADHN CCC[C@@H](O)CN[C@@H](C)c1ccccc1Cl ZINC000129386673 385147901 /nfs/dbraw/zinc/14/79/01/385147901.db2.gz AWJFOTDOVIPFSO-WDEREUQCSA-N 0 3 241.762 3.152 20 0 BGADHN CCC[C@H](O)CN[C@H](C)c1ccccc1Cl ZINC000129386906 385146429 /nfs/dbraw/zinc/14/64/29/385146429.db2.gz AWJFOTDOVIPFSO-MNOVXSKESA-N 0 3 241.762 3.152 20 0 BGADHN CCC[C@@H](O)CN[C@H](C)c1ccccc1Cl ZINC000129387106 385146360 /nfs/dbraw/zinc/14/63/60/385146360.db2.gz AWJFOTDOVIPFSO-GHMZBOCLSA-N 0 3 241.762 3.152 20 0 BGADHN Cn1ccnc1CNC1CCC2(CCCC2)CC1 ZINC000129389494 387767542 /nfs/dbraw/zinc/76/75/42/387767542.db2.gz BTPMWNYEXBVECM-UHFFFAOYSA-N 0 3 247.386 3.013 20 0 BGADHN CC(C)[C@H](O)CN[C@@H](C)c1ccccc1Cl ZINC000129404538 385146335 /nfs/dbraw/zinc/14/63/35/385146335.db2.gz NHXYLEBSWIBRGP-GXFFZTMASA-N 0 3 241.762 3.008 20 0 BGADHN CC(C)[C@@H](O)CN[C@@H](C)c1ccccc1Cl ZINC000129404729 385147215 /nfs/dbraw/zinc/14/72/15/385147215.db2.gz NHXYLEBSWIBRGP-GWCFXTLKSA-N 0 3 241.762 3.008 20 0 BGADHN CC(C)[C@H](O)CN[C@H](C)c1ccccc1Cl ZINC000129404947 385148170 /nfs/dbraw/zinc/14/81/70/385148170.db2.gz NHXYLEBSWIBRGP-ZWNOBZJWSA-N 0 3 241.762 3.008 20 0 BGADHN CC(C)[C@@H](O)CN[C@H](C)c1ccccc1Cl ZINC000129405135 385147116 /nfs/dbraw/zinc/14/71/16/385147116.db2.gz NHXYLEBSWIBRGP-MFKMUULPSA-N 0 3 241.762 3.008 20 0 BGADHN c1c[nH]c(CNC2CCC3(CCCC3)CC2)n1 ZINC000129407910 490140922 /nfs/dbraw/zinc/14/09/22/490140922.db2.gz WZNWMHDOWCBRHB-UHFFFAOYSA-N 0 3 233.359 3.002 20 0 BGADHN CC[C@@H](C)N[C@@H]1COc2c1ccc(C)c2C ZINC000129427045 388841751 /nfs/dbraw/zinc/84/17/51/388841751.db2.gz AMOQRQQLIYQFBC-ZWNOBZJWSA-N 0 3 219.328 3.125 20 0 BGADHN CC[C@H](C)N[C@@H]1COc2c1ccc(C)c2C ZINC000129427280 388841138 /nfs/dbraw/zinc/84/11/38/388841138.db2.gz AMOQRQQLIYQFBC-GXFFZTMASA-N 0 3 219.328 3.125 20 0 BGADHN CC[C@@H](C)N[C@H]1COc2c1ccc(C)c2C ZINC000129427510 388841943 /nfs/dbraw/zinc/84/19/43/388841943.db2.gz AMOQRQQLIYQFBC-MFKMUULPSA-N 0 3 219.328 3.125 20 0 BGADHN CC[C@H](C)N[C@H]1COc2c1ccc(C)c2C ZINC000129427725 388841813 /nfs/dbraw/zinc/84/18/13/388841813.db2.gz AMOQRQQLIYQFBC-GWCFXTLKSA-N 0 3 219.328 3.125 20 0 BGADHN CCCC1(CNCc2ccc(COC)o2)CC1 ZINC000129429644 384995072 /nfs/dbraw/zinc/99/50/72/384995072.db2.gz VFUSBUKNAXEHJN-UHFFFAOYSA-N 0 3 237.343 3.096 20 0 BGADHN C[C@@H](CO)[C@@H](C)N[C@@H](C)c1ccccc1Cl ZINC000129442617 398340129 /nfs/dbraw/zinc/34/01/29/398340129.db2.gz LGORQKOBVYNBDR-AXFHLTTASA-N 0 3 241.762 3.008 20 0 BGADHN C[C@@H](N[C@@H](C)c1ccccc1Cl)[C@H](C)CO ZINC000129442818 398340222 /nfs/dbraw/zinc/34/02/22/398340222.db2.gz LGORQKOBVYNBDR-MXWKQRLJSA-N 0 3 241.762 3.008 20 0 BGADHN C[C@@H](CO)[C@H](C)N[C@@H](C)c1ccccc1Cl ZINC000129443103 398340160 /nfs/dbraw/zinc/34/01/60/398340160.db2.gz LGORQKOBVYNBDR-DCAQKATOSA-N 0 3 241.762 3.008 20 0 BGADHN C[C@H](CO)[C@H](C)N[C@@H](C)c1ccccc1Cl ZINC000129443307 398340220 /nfs/dbraw/zinc/34/02/20/398340220.db2.gz LGORQKOBVYNBDR-VWYCJHECSA-N 0 3 241.762 3.008 20 0 BGADHN c1cc(CNC2CCC3(CCCC3)CC2)no1 ZINC000129446154 591301207 /nfs/dbraw/zinc/30/12/07/591301207.db2.gz VSAZLGIVUXJTPL-UHFFFAOYSA-N 0 3 234.343 3.267 20 0 BGADHN CC[C@@H](CCO)N[C@@H](C)c1ccccc1Cl ZINC000129447968 387770811 /nfs/dbraw/zinc/77/08/11/387770811.db2.gz CVAKNJJMWUGHDQ-QWRGUYRKSA-N 0 3 241.762 3.152 20 0 BGADHN CC[C@H](CCO)N[C@@H](C)c1ccccc1Cl ZINC000129448187 387770694 /nfs/dbraw/zinc/77/06/94/387770694.db2.gz CVAKNJJMWUGHDQ-WDEREUQCSA-N 0 3 241.762 3.152 20 0 BGADHN CC[C@@H](CCO)N[C@H](C)c1ccccc1Cl ZINC000129448413 170821234 /nfs/dbraw/zinc/82/12/34/170821234.db2.gz CVAKNJJMWUGHDQ-MNOVXSKESA-N 0 3 241.762 3.152 20 0 BGADHN CC[C@H](CCO)N[C@H](C)c1ccccc1Cl ZINC000129448644 387770907 /nfs/dbraw/zinc/77/09/07/387770907.db2.gz CVAKNJJMWUGHDQ-GHMZBOCLSA-N 0 3 241.762 3.152 20 0 BGADHN C[C@H](NCCOC(C)(C)C)c1ccccc1 ZINC000129453658 385151445 /nfs/dbraw/zinc/15/14/45/385151445.db2.gz DSJMZCKEXAQLOA-LBPRGKRZSA-N 0 3 221.344 3.152 20 0 BGADHN C[C@@H](NCCOC(C)(C)C)c1ccccc1 ZINC000129453882 385151517 /nfs/dbraw/zinc/15/15/17/385151517.db2.gz DSJMZCKEXAQLOA-GFCCVEGCSA-N 0 3 221.344 3.152 20 0 BGADHN Cn1ccc(CNC2CCC3(CCCC3)CC2)n1 ZINC000129460721 387771091 /nfs/dbraw/zinc/77/10/91/387771091.db2.gz FNVCMSGHXUJTHH-UHFFFAOYSA-N 0 3 247.386 3.013 20 0 BGADHN C[C@H](NCc1cccc(Cl)c1F)C1CC1 ZINC000129471832 133653621 /nfs/dbraw/zinc/65/36/21/133653621.db2.gz KLPLGPPGGLOAHY-QMMMGPOBSA-N 0 3 227.710 3.367 20 0 BGADHN C[C@@H](NCc1cccc(Cl)c1F)C1CC1 ZINC000129472063 385008421 /nfs/dbraw/zinc/00/84/21/385008421.db2.gz KLPLGPPGGLOAHY-MRVPVSSYSA-N 0 3 227.710 3.367 20 0 BGADHN CCCCN[C@@H]1CSc2ccccc21 ZINC000129499163 591313813 /nfs/dbraw/zinc/31/38/13/591313813.db2.gz SPPWBCPLIWIMTR-LLVKDONJSA-N 0 3 207.342 3.223 20 0 BGADHN CCCCN[C@H]1CSc2ccccc21 ZINC000129499363 591313025 /nfs/dbraw/zinc/31/30/25/591313025.db2.gz SPPWBCPLIWIMTR-NSHDSACASA-N 0 3 207.342 3.223 20 0 BGADHN O=C(C[C@@H]1CCCN1CC1CC1)c1cccs1 ZINC000129523622 182018281 /nfs/dbraw/zinc/01/82/81/182018281.db2.gz YUXIDFPDFLPCBM-LBPRGKRZSA-N 0 3 249.379 3.195 20 0 BGADHN O=C(C[C@H]1CCCN1CC1CC1)c1cccs1 ZINC000129523857 182028396 /nfs/dbraw/zinc/02/83/96/182028396.db2.gz YUXIDFPDFLPCBM-GFCCVEGCSA-N 0 3 249.379 3.195 20 0 BGADHN Cc1ccoc1CN[C@@H]1CCCC1(C)C ZINC000129572480 385004988 /nfs/dbraw/zinc/00/49/88/385004988.db2.gz BEKYNWXUOHFSAS-GFCCVEGCSA-N 0 3 207.317 3.256 20 0 BGADHN Cc1ccoc1CN[C@H]1CCCC1(C)C ZINC000129572702 179530154 /nfs/dbraw/zinc/53/01/54/179530154.db2.gz BEKYNWXUOHFSAS-LBPRGKRZSA-N 0 3 207.317 3.256 20 0 BGADHN COc1ccc([C@H](C)NC[C@H]2C[C@H]2C)c(F)c1 ZINC000129638923 324969562 /nfs/dbraw/zinc/96/95/62/324969562.db2.gz RXKZCJRPOKKICO-OUAUKWLOSA-N 0 3 237.318 3.141 20 0 BGADHN COc1ccc([C@H](C)NC[C@H]2C[C@@H]2C)c(F)c1 ZINC000129639142 388860936 /nfs/dbraw/zinc/86/09/36/388860936.db2.gz RXKZCJRPOKKICO-GARJFASQSA-N 0 3 237.318 3.141 20 0 BGADHN COc1ccc([C@H](C)NC[C@@H]2C[C@H]2C)c(F)c1 ZINC000129639386 388861100 /nfs/dbraw/zinc/86/11/00/388861100.db2.gz RXKZCJRPOKKICO-VWYCJHECSA-N 0 3 237.318 3.141 20 0 BGADHN COc1ccc([C@H](C)NC[C@@H]2C[C@@H]2C)c(F)c1 ZINC000129639582 388862094 /nfs/dbraw/zinc/86/20/94/388862094.db2.gz RXKZCJRPOKKICO-DCAQKATOSA-N 0 3 237.318 3.141 20 0 BGADHN COc1cccc(F)c1[C@H](C)NC[C@H]1C[C@H]1C ZINC000129651943 388861432 /nfs/dbraw/zinc/86/14/32/388861432.db2.gz ZIKFEUIFISULLD-OUAUKWLOSA-N 0 3 237.318 3.141 20 0 BGADHN COc1cccc(F)c1[C@H](C)NC[C@H]1C[C@@H]1C ZINC000129652152 388861109 /nfs/dbraw/zinc/86/11/09/388861109.db2.gz ZIKFEUIFISULLD-GARJFASQSA-N 0 3 237.318 3.141 20 0 BGADHN COc1cccc(F)c1[C@H](C)NC[C@@H]1C[C@H]1C ZINC000129652428 324970450 /nfs/dbraw/zinc/97/04/50/324970450.db2.gz ZIKFEUIFISULLD-VWYCJHECSA-N 0 3 237.318 3.141 20 0 BGADHN COc1cccc(F)c1[C@H](C)NC[C@@H]1C[C@@H]1C ZINC000129652616 388861160 /nfs/dbraw/zinc/86/11/60/388861160.db2.gz ZIKFEUIFISULLD-DCAQKATOSA-N 0 3 237.318 3.141 20 0 BGADHN CCN(CCc1ccccc1F)Cc1ccoc1 ZINC000129677204 491115367 /nfs/dbraw/zinc/11/53/67/491115367.db2.gz QMGCWNMMCUNCMU-UHFFFAOYSA-N 0 3 247.313 3.483 20 0 BGADHN Cc1ccc(CNCc2ccncc2C)s1 ZINC000129711017 385178597 /nfs/dbraw/zinc/17/85/97/385178597.db2.gz GVGIDTBVIXOCQI-UHFFFAOYSA-N 0 3 232.352 3.050 20 0 BGADHN Cc1cnccc1CN[C@@H](C)c1ccsc1 ZINC000129712416 411374601 /nfs/dbraw/zinc/37/46/01/411374601.db2.gz SPMMELIABRYMNS-NSHDSACASA-N 0 3 232.352 3.302 20 0 BGADHN Cc1cnccc1CN[C@H](C)c1ccsc1 ZINC000129712632 411374270 /nfs/dbraw/zinc/37/42/70/411374270.db2.gz SPMMELIABRYMNS-LLVKDONJSA-N 0 3 232.352 3.302 20 0 BGADHN Cc1oncc1CN[C@@H](C)C1CCCCC1 ZINC000129723715 324980499 /nfs/dbraw/zinc/98/04/99/324980499.db2.gz RMYWHSSGKQECRK-JTQLQIEISA-N 0 3 222.332 3.041 20 0 BGADHN Cc1oncc1CN[C@H](C)C1CCCCC1 ZINC000129723921 388868462 /nfs/dbraw/zinc/86/84/62/388868462.db2.gz RMYWHSSGKQECRK-SNVBAGLBSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1ccsc1CNCc1ccncc1C ZINC000129741600 385184351 /nfs/dbraw/zinc/18/43/51/385184351.db2.gz GKRDXMUQAOIDRS-UHFFFAOYSA-N 0 3 232.352 3.050 20 0 BGADHN C[C@H](N[C@H]1CC=CCC1)c1cccnc1Cl ZINC000129745424 385183606 /nfs/dbraw/zinc/18/36/06/385183606.db2.gz UWUKNQSHPSLPCL-QWRGUYRKSA-N 0 3 236.746 3.494 20 0 BGADHN C[C@@H](N[C@H]1CC=CCC1)c1cccnc1Cl ZINC000129745616 385184958 /nfs/dbraw/zinc/18/49/58/385184958.db2.gz UWUKNQSHPSLPCL-MNOVXSKESA-N 0 3 236.746 3.494 20 0 BGADHN C[C@H](N[C@@H]1CC=CCC1)c1cccnc1Cl ZINC000129745809 385182931 /nfs/dbraw/zinc/18/29/31/385182931.db2.gz UWUKNQSHPSLPCL-WDEREUQCSA-N 0 3 236.746 3.494 20 0 BGADHN C[C@@H](N[C@@H]1CC=CCC1)c1cccnc1Cl ZINC000129745969 385184218 /nfs/dbraw/zinc/18/42/18/385184218.db2.gz UWUKNQSHPSLPCL-GHMZBOCLSA-N 0 3 236.746 3.494 20 0 BGADHN CC[C@@H](COC)NCc1ccc(Cl)cc1C ZINC000129790354 388870485 /nfs/dbraw/zinc/87/04/85/388870485.db2.gz PBZNUCRKLRDZLP-ZDUSSCGKSA-N 0 3 241.762 3.163 20 0 BGADHN CC[C@H](COC)NCc1ccc(Cl)cc1C ZINC000129790569 388870963 /nfs/dbraw/zinc/87/09/63/388870963.db2.gz PBZNUCRKLRDZLP-CYBMUJFWSA-N 0 3 241.762 3.163 20 0 BGADHN Cc1ccccc1[C@@H](C)NCCOCC(C)C ZINC000129818822 388872085 /nfs/dbraw/zinc/87/20/85/388872085.db2.gz ULZONIBHCGXMPV-CQSZACIVSA-N 0 3 235.371 3.318 20 0 BGADHN Cc1ccccc1[C@H](C)NCCOCC(C)C ZINC000129819052 388871696 /nfs/dbraw/zinc/87/16/96/388871696.db2.gz ULZONIBHCGXMPV-AWEZNQCLSA-N 0 3 235.371 3.318 20 0 BGADHN Cc1ccc([O-])c(C[N@H+](CCC(C)C)C2CC2)n1 ZINC000129825589 490171270 /nfs/dbraw/zinc/17/12/70/490171270.db2.gz FQILLPSOJPPQOR-UHFFFAOYSA-N 0 3 248.370 3.106 20 0 BGADHN Cc1ccc([O-])c(C[N@@H+](CCC(C)C)C2CC2)n1 ZINC000129825589 490171257 /nfs/dbraw/zinc/17/12/57/490171257.db2.gz FQILLPSOJPPQOR-UHFFFAOYSA-N 0 3 248.370 3.106 20 0 BGADHN Cc1ncccc1CN(CCC(C)C)C1CC1 ZINC000129830981 490172656 /nfs/dbraw/zinc/17/26/56/490172656.db2.gz OEVRDPILMRHPJG-UHFFFAOYSA-N 0 3 232.371 3.401 20 0 BGADHN Cc1ncsc1CN(CCC(C)C)C1CC1 ZINC000129831460 490172908 /nfs/dbraw/zinc/17/29/08/490172908.db2.gz SNZUFKWGJKTJIO-UHFFFAOYSA-N 0 3 238.400 3.462 20 0 BGADHN CC(C)CCN(Cc1cccn1C)C1CC1 ZINC000129832366 490172625 /nfs/dbraw/zinc/17/26/25/490172625.db2.gz XHZYROWJMDLAPB-UHFFFAOYSA-N 0 3 220.360 3.036 20 0 BGADHN Cc1n[nH]c(C)c1CN(CCC(C)C)C1CC1 ZINC000129833274 490172824 /nfs/dbraw/zinc/17/28/24/490172824.db2.gz WRFPCRVSXGRZNF-UHFFFAOYSA-N 0 3 235.375 3.037 20 0 BGADHN Cc1ccc([C@@H](C)NCCOCC(C)C)cc1 ZINC000129837113 388872020 /nfs/dbraw/zinc/87/20/20/388872020.db2.gz HOIAMJHWHVELKC-CQSZACIVSA-N 0 3 235.371 3.318 20 0 BGADHN Cc1ccc([C@H](C)NCCOCC(C)C)cc1 ZINC000129837350 388872576 /nfs/dbraw/zinc/87/25/76/388872576.db2.gz HOIAMJHWHVELKC-AWEZNQCLSA-N 0 3 235.371 3.318 20 0 BGADHN Cc1cccc([C@@H](C)NCCOCC(C)C)c1 ZINC000129838483 388872272 /nfs/dbraw/zinc/87/22/72/388872272.db2.gz GCNPWYRVAZPVSU-CQSZACIVSA-N 0 3 235.371 3.318 20 0 BGADHN Cc1cccc([C@H](C)NCCOCC(C)C)c1 ZINC000129838692 388872297 /nfs/dbraw/zinc/87/22/97/388872297.db2.gz GCNPWYRVAZPVSU-AWEZNQCLSA-N 0 3 235.371 3.318 20 0 BGADHN Cc1cnc(CN[C@@H]2CC[C@H](C)[C@H](C)C2)s1 ZINC000129881139 323009642 /nfs/dbraw/zinc/00/96/42/323009642.db2.gz PZLVRCXUUXIXCR-HOSYDEDBSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1cnc(CN[C@@H]2CC[C@@H](C)[C@H](C)C2)s1 ZINC000129881563 388873519 /nfs/dbraw/zinc/87/35/19/388873519.db2.gz PZLVRCXUUXIXCR-CKYFFXLPSA-N 0 3 238.400 3.366 20 0 BGADHN c1ccc(CN2CCC3(C2)CCCCC3)nc1 ZINC000129899469 358600501 /nfs/dbraw/zinc/60/05/01/358600501.db2.gz SCGLACULBCCUPC-UHFFFAOYSA-N 0 3 230.355 3.238 20 0 BGADHN Cc1cc(Cl)ccc1CNCc1ccn(C)c1 ZINC000129935295 178066569 /nfs/dbraw/zinc/06/65/69/178066569.db2.gz YULKHSZUDVAYJK-UHFFFAOYSA-N 0 3 248.757 3.277 20 0 BGADHN c1cncc(CN2CCC3(C2)CCCCC3)c1 ZINC000129984064 385207018 /nfs/dbraw/zinc/20/70/18/385207018.db2.gz BUCGBGWJNDRIES-UHFFFAOYSA-N 0 3 230.355 3.238 20 0 BGADHN Cc1noc(C)c1CN1CCC2(C1)CCCCC2 ZINC000130005143 358605724 /nfs/dbraw/zinc/60/57/24/358605724.db2.gz IHQRKSRKKYODMT-UHFFFAOYSA-N 0 3 248.370 3.448 20 0 BGADHN Cc1oncc1CN[C@@H](C)[C@@H](C)c1ccccc1 ZINC000130005582 325003331 /nfs/dbraw/zinc/00/33/31/325003331.db2.gz XJJQBMYLSGATSB-NEPJUHHUSA-N 0 3 244.338 3.265 20 0 BGADHN Cc1oncc1CN[C@H](C)[C@@H](C)c1ccccc1 ZINC000130005787 325003452 /nfs/dbraw/zinc/00/34/52/325003452.db2.gz XJJQBMYLSGATSB-VXGBXAGGSA-N 0 3 244.338 3.265 20 0 BGADHN Cc1oncc1CN[C@@H](C)[C@H](C)c1ccccc1 ZINC000130005986 325003246 /nfs/dbraw/zinc/00/32/46/325003246.db2.gz XJJQBMYLSGATSB-RYUDHWBXSA-N 0 3 244.338 3.265 20 0 BGADHN Cc1oncc1CN[C@H](C)[C@H](C)c1ccccc1 ZINC000130006234 325003153 /nfs/dbraw/zinc/00/31/53/325003153.db2.gz XJJQBMYLSGATSB-NWDGAFQWSA-N 0 3 244.338 3.265 20 0 BGADHN CC(C)(C)CCNCc1ccncc1Cl ZINC000130028605 325005276 /nfs/dbraw/zinc/00/52/76/325005276.db2.gz ZOQPINPDPTZPGU-UHFFFAOYSA-N 0 3 226.751 3.261 20 0 BGADHN CCCn1cc(CN(C(C)C)C2CCC2)cn1 ZINC000130038490 358605314 /nfs/dbraw/zinc/60/53/14/358605314.db2.gz LEIYKTPILPZWSC-UHFFFAOYSA-N 0 3 235.375 3.056 20 0 BGADHN CCOc1cccc(CN(C(C)C)C2CCC2)n1 ZINC000130038802 358605383 /nfs/dbraw/zinc/60/53/83/358605383.db2.gz MQNVIKSGKXSMHA-UHFFFAOYSA-N 0 3 248.370 3.243 20 0 BGADHN CC(C)N(Cc1nc2ccccc2[nH]1)C1CCC1 ZINC000130039905 358605523 /nfs/dbraw/zinc/60/55/23/358605523.db2.gz SPRWLCKHZCBOKE-UHFFFAOYSA-N 0 3 243.354 3.326 20 0 BGADHN CCCN(CCC)Cc1ccccc1C(=O)OC ZINC000130089579 358607409 /nfs/dbraw/zinc/60/74/09/358607409.db2.gz JWDCZYWLZZZQRD-UHFFFAOYSA-N 0 3 249.354 3.095 20 0 BGADHN CCCCN(CC)Cc1ccccc1C(=O)OC ZINC000130098874 358608040 /nfs/dbraw/zinc/60/80/40/358608040.db2.gz VJKIYHVCKZDLAC-UHFFFAOYSA-N 0 3 249.354 3.095 20 0 BGADHN Cc1csc(CN2CCC[C@@H]2CC(C)C)n1 ZINC000130105108 325013481 /nfs/dbraw/zinc/01/34/81/325013481.db2.gz GCVKZULZOMZKOF-GFCCVEGCSA-N 0 3 238.400 3.462 20 0 BGADHN Cc1csc(CN2CCC[C@H]2CC(C)C)n1 ZINC000130105383 323010233 /nfs/dbraw/zinc/01/02/33/323010233.db2.gz GCVKZULZOMZKOF-LBPRGKRZSA-N 0 3 238.400 3.462 20 0 BGADHN CCCN(Cc1ccccc1C(=O)OC)C(C)C ZINC000130131493 343180086 /nfs/dbraw/zinc/18/00/86/343180086.db2.gz LSMFVMXVXDBWRI-UHFFFAOYSA-N 0 3 249.354 3.094 20 0 BGADHN CC[C@@H](C)N(CC)Cc1ccccc1C(=O)OC ZINC000130138739 358434998 /nfs/dbraw/zinc/43/49/98/358434998.db2.gz WSJGEKDGWCQHQT-GFCCVEGCSA-N 0 3 249.354 3.094 20 0 BGADHN CC[C@H](C)N(CC)Cc1ccccc1C(=O)OC ZINC000130138941 358435104 /nfs/dbraw/zinc/43/51/04/358435104.db2.gz WSJGEKDGWCQHQT-LBPRGKRZSA-N 0 3 249.354 3.094 20 0 BGADHN CCC[C@@H](C)N(C)Cc1ccccc1C(=O)OC ZINC000130158664 358610389 /nfs/dbraw/zinc/61/03/89/358610389.db2.gz IURLAEGJRCCWOW-GFCCVEGCSA-N 0 3 249.354 3.094 20 0 BGADHN CCC[C@H](C)N(C)Cc1ccccc1C(=O)OC ZINC000130158891 358610936 /nfs/dbraw/zinc/61/09/36/358610936.db2.gz IURLAEGJRCCWOW-LBPRGKRZSA-N 0 3 249.354 3.094 20 0 BGADHN Cc1cccc(CCN[C@@H](C)c2cncs2)c1 ZINC000130168276 179060264 /nfs/dbraw/zinc/06/02/64/179060264.db2.gz XKBSRXCBWXWXGR-LBPRGKRZSA-N 0 3 246.379 3.345 20 0 BGADHN Cc1cccc(CCN[C@H](C)c2cncs2)c1 ZINC000130168488 179059720 /nfs/dbraw/zinc/05/97/20/179059720.db2.gz XKBSRXCBWXWXGR-GFCCVEGCSA-N 0 3 246.379 3.345 20 0 BGADHN C[C@@H](CN(C)C)N[C@@H](C)c1ccc(Cl)s1 ZINC000130172503 385018863 /nfs/dbraw/zinc/01/88/63/385018863.db2.gz VFOOEEUWAKGNQH-IUCAKERBSA-N 0 3 246.807 3.002 20 0 BGADHN C[C@H](CN(C)C)N[C@@H](C)c1ccc(Cl)s1 ZINC000130172694 344218476 /nfs/dbraw/zinc/21/84/76/344218476.db2.gz VFOOEEUWAKGNQH-BDAKNGLRSA-N 0 3 246.807 3.002 20 0 BGADHN C[C@@H](N[C@@H](C)CN(C)C)c1ccc(Cl)s1 ZINC000130172928 385019471 /nfs/dbraw/zinc/01/94/71/385019471.db2.gz VFOOEEUWAKGNQH-DTWKUNHWSA-N 0 3 246.807 3.002 20 0 BGADHN C[C@H](CN(C)C)N[C@H](C)c1ccc(Cl)s1 ZINC000130173089 344218411 /nfs/dbraw/zinc/21/84/11/344218411.db2.gz VFOOEEUWAKGNQH-RKDXNWHRSA-N 0 3 246.807 3.002 20 0 BGADHN C[C@@H](c1ccco1)N(CC1CC1)C1CC1 ZINC000130197250 176032314 /nfs/dbraw/zinc/03/23/14/176032314.db2.gz VHFAGHFWYHGGOP-JTQLQIEISA-N 0 3 205.301 3.215 20 0 BGADHN C[C@H](c1ccco1)N(CC1CC1)C1CC1 ZINC000130197455 177048086 /nfs/dbraw/zinc/04/80/86/177048086.db2.gz VHFAGHFWYHGGOP-SNVBAGLBSA-N 0 3 205.301 3.215 20 0 BGADHN CC(C)(C)C1CCC(CNCc2ncc[nH]2)CC1 ZINC000130202575 325023027 /nfs/dbraw/zinc/02/30/27/325023027.db2.gz RFJDSGZQVKWAGJ-UHFFFAOYSA-N 0 3 249.402 3.352 20 0 BGADHN CCCC(C)(C)NCc1nc(C)c(C)s1 ZINC000130204182 591447680 /nfs/dbraw/zinc/44/76/80/591447680.db2.gz GZEODKQFXJWUOE-UHFFFAOYSA-N 0 3 226.389 3.428 20 0 BGADHN COCc1ccc(CN(C2CC2)C2CCCC2)o1 ZINC000130208270 325023711 /nfs/dbraw/zinc/02/37/11/325023711.db2.gz BNEHBRKRAQKGSE-UHFFFAOYSA-N 0 3 249.354 3.333 20 0 BGADHN Cc1nc(CN2CCC[C@@H]2CC(C)C)oc1C ZINC000130209556 358614363 /nfs/dbraw/zinc/61/43/63/358614363.db2.gz CESMUOTZBNLJGS-CYBMUJFWSA-N 0 3 236.359 3.302 20 0 BGADHN Cc1nc(CN2CCC[C@H]2CC(C)C)oc1C ZINC000130209795 358614584 /nfs/dbraw/zinc/61/45/84/358614584.db2.gz CESMUOTZBNLJGS-ZDUSSCGKSA-N 0 3 236.359 3.302 20 0 BGADHN c1ncc(CN(C2CC2)C2CCCC2)s1 ZINC000130209947 325024046 /nfs/dbraw/zinc/02/40/46/325024046.db2.gz UDJWSURYBSYDGF-UHFFFAOYSA-N 0 3 222.357 3.050 20 0 BGADHN CCOc1ccccc1CN(CC)C1CC1 ZINC000130210808 323010535 /nfs/dbraw/zinc/01/05/35/323010535.db2.gz LJELQGAVEYASNT-UHFFFAOYSA-N 0 3 219.328 3.070 20 0 BGADHN Cc1ccc([O-])c(C[N@@H+](C2CC2)C2CCCC2)n1 ZINC000130211137 325024177 /nfs/dbraw/zinc/02/41/77/325024177.db2.gz QLCIIDBSKYNVEA-UHFFFAOYSA-N 0 3 246.354 3.003 20 0 BGADHN Cc1ccc([O-])c(C[N@H+](C2CC2)C2CCCC2)n1 ZINC000130211137 325024175 /nfs/dbraw/zinc/02/41/75/325024175.db2.gz QLCIIDBSKYNVEA-UHFFFAOYSA-N 0 3 246.354 3.003 20 0 BGADHN CCCn1cc(CN(C2CC2)C2CCCC2)cn1 ZINC000130218056 323010518 /nfs/dbraw/zinc/01/05/18/323010518.db2.gz XOVKELPDTSVMJG-UHFFFAOYSA-N 0 3 247.386 3.200 20 0 BGADHN Cc1ncsc1CN(C1CC1)C1CCCC1 ZINC000130227491 325026090 /nfs/dbraw/zinc/02/60/90/325026090.db2.gz GZKFTVZJJGTWMW-UHFFFAOYSA-N 0 3 236.384 3.359 20 0 BGADHN c1nc(C2CCC2)sc1CN1CCCC1 ZINC000130229551 325026887 /nfs/dbraw/zinc/02/68/87/325026887.db2.gz VHUJCGLAAYALPN-UHFFFAOYSA-N 0 3 222.357 3.006 20 0 BGADHN Cn1ccc(CN(Cc2cccs2)C2CC2)c1 ZINC000130246037 385231480 /nfs/dbraw/zinc/23/14/80/385231480.db2.gz PQGKTKPMHCDBMZ-UHFFFAOYSA-N 0 3 246.379 3.251 20 0 BGADHN c1csc(CN(CC2=CCCOC2)C2CC2)c1 ZINC000130258590 385235011 /nfs/dbraw/zinc/23/50/11/385235011.db2.gz HLPJNYGJZIJDQN-UHFFFAOYSA-N 0 3 249.379 3.059 20 0 BGADHN CCc1cnc(CNCCC(C)(C)C)s1 ZINC000130284143 344219776 /nfs/dbraw/zinc/21/97/76/344219776.db2.gz USAAKZBROQDWQO-UHFFFAOYSA-N 0 3 226.389 3.231 20 0 BGADHN CCc1ccc(CCNCc2ccco2)cc1 ZINC000130290893 359013133 /nfs/dbraw/zinc/01/31/33/359013133.db2.gz YFQDTFGVUXITSQ-UHFFFAOYSA-N 0 3 229.323 3.174 20 0 BGADHN CCC(C)(C)N(C)Cc1ccccc1C(=O)OC ZINC000130326916 358618522 /nfs/dbraw/zinc/61/85/22/358618522.db2.gz XZHKMWRXYRAPQY-UHFFFAOYSA-N 0 3 249.354 3.094 20 0 BGADHN CC(C)OC1CCC(NCc2ccco2)CC1 ZINC000130328986 490375020 /nfs/dbraw/zinc/37/50/20/490375020.db2.gz JIJRMUUIZZNASF-UHFFFAOYSA-N 0 3 237.343 3.105 20 0 BGADHN CN(CCC1CCCCC1)Cc1ccncc1 ZINC000130331677 358619314 /nfs/dbraw/zinc/61/93/14/358619314.db2.gz HLMXFKGXRKNZRR-UHFFFAOYSA-N 0 3 232.371 3.484 20 0 BGADHN Fc1ccc(F)c(CNCCC2CCC2)c1 ZINC000130333373 591459051 /nfs/dbraw/zinc/45/90/51/591459051.db2.gz ABMCCBSWRZHGSW-UHFFFAOYSA-N 0 3 225.282 3.245 20 0 BGADHN Clc1ccc(CNCCC2CCC2)o1 ZINC000130335179 591459069 /nfs/dbraw/zinc/45/90/69/591459069.db2.gz IERAWIGCRULUIQ-UHFFFAOYSA-N 0 3 213.708 3.213 20 0 BGADHN Fc1ccc(CNCCC2CCC2)c(F)c1 ZINC000130340082 591458938 /nfs/dbraw/zinc/45/89/38/591458938.db2.gz GRZUEKVNZYVZEH-UHFFFAOYSA-N 0 3 225.282 3.245 20 0 BGADHN CCC(CC)CNCc1ccncc1Cl ZINC000130341779 359587591 /nfs/dbraw/zinc/58/75/91/359587591.db2.gz ACTHSWJLRJSGMS-UHFFFAOYSA-N 0 3 226.751 3.261 20 0 BGADHN Fc1cccc(CNCCC2CCC2)c1F ZINC000130345778 591459304 /nfs/dbraw/zinc/45/93/04/591459304.db2.gz XBZZLMVJDHKDCR-UHFFFAOYSA-N 0 3 225.282 3.245 20 0 BGADHN Fc1ccccc1CNCCC1CCC1 ZINC000130353279 591459194 /nfs/dbraw/zinc/45/91/94/591459194.db2.gz GAAPYIOILSDFOM-UHFFFAOYSA-N 0 3 207.292 3.106 20 0 BGADHN Fc1cccc(F)c1CNCCC1CCC1 ZINC000130358862 591460654 /nfs/dbraw/zinc/46/06/54/591460654.db2.gz YTTYODAKVSEIFI-UHFFFAOYSA-N 0 3 225.282 3.245 20 0 BGADHN C[C@H](NC1CC(C)C1)c1cccnc1Cl ZINC000130392617 168147398 /nfs/dbraw/zinc/14/73/98/168147398.db2.gz WPYHFTSMQZHMCK-KYHHOPLUSA-N 0 3 224.735 3.184 20 0 BGADHN C[C@@H](NC1CC(C)C1)c1cccnc1Cl ZINC000130392805 168148600 /nfs/dbraw/zinc/14/86/00/168148600.db2.gz WPYHFTSMQZHMCK-HWOCKDDLSA-N 0 3 224.735 3.184 20 0 BGADHN c1ncc(CN2CCC3(CCCCC3)CC2)cn1 ZINC000130394565 358623130 /nfs/dbraw/zinc/62/31/30/358623130.db2.gz APKUEKCCLOHMQG-UHFFFAOYSA-N 0 3 245.370 3.023 20 0 BGADHN CCc1ccc([C@@H](C)NC2CC(C)C2)o1 ZINC000130397137 344219901 /nfs/dbraw/zinc/21/99/01/344219901.db2.gz ALJUYBAKCYLWCU-HSOILSAZSA-N 0 3 207.317 3.291 20 0 BGADHN CCc1ccc([C@H](C)NC2CC(C)C2)o1 ZINC000130397343 344219701 /nfs/dbraw/zinc/21/97/01/344219701.db2.gz ALJUYBAKCYLWCU-YVNMAJEFSA-N 0 3 207.317 3.291 20 0 BGADHN Cc1ncc(CNCc2c(C)cccc2C)s1 ZINC000130400868 180151444 /nfs/dbraw/zinc/15/14/44/180151444.db2.gz IYEBFTQDIRBTNA-UHFFFAOYSA-N 0 3 246.379 3.358 20 0 BGADHN Cc1ncsc1CNCc1c(C)cccc1C ZINC000130401084 358624345 /nfs/dbraw/zinc/62/43/45/358624345.db2.gz ZMANVPLOZMLHJB-UHFFFAOYSA-N 0 3 246.379 3.358 20 0 BGADHN CCc1cnc(CN[C@@H](C)[C@@H](C)CC)s1 ZINC000130426464 344220640 /nfs/dbraw/zinc/22/06/40/344220640.db2.gz VXTPXQFAOQOHRO-UWVGGRQHSA-N 0 3 226.389 3.230 20 0 BGADHN CCc1cnc(CN[C@H](C)[C@@H](C)CC)s1 ZINC000130426639 344220579 /nfs/dbraw/zinc/22/05/79/344220579.db2.gz VXTPXQFAOQOHRO-VHSXEESVSA-N 0 3 226.389 3.230 20 0 BGADHN CCc1cnc(CN[C@@H](C)[C@H](C)CC)s1 ZINC000130426831 344220164 /nfs/dbraw/zinc/22/01/64/344220164.db2.gz VXTPXQFAOQOHRO-ZJUUUORDSA-N 0 3 226.389 3.230 20 0 BGADHN CCc1cnc(CN[C@H](C)[C@H](C)CC)s1 ZINC000130427007 344220324 /nfs/dbraw/zinc/22/03/24/344220324.db2.gz VXTPXQFAOQOHRO-NXEZZACHSA-N 0 3 226.389 3.230 20 0 BGADHN Cc1n[nH]cc1CNC(C)(C)c1cccc(C)c1 ZINC000130448064 179028127 /nfs/dbraw/zinc/02/81/27/179028127.db2.gz DBBCZNAONCNHNV-UHFFFAOYSA-N 0 3 243.354 3.051 20 0 BGADHN CSCCCCNCc1cc(C)ccc1F ZINC000130485686 345276835 /nfs/dbraw/zinc/27/68/35/345276835.db2.gz ILMRLMAQJKQKQI-UHFFFAOYSA-N 0 3 241.375 3.367 20 0 BGADHN CCc1cnc(CN[C@@H](C)CC(C)C)s1 ZINC000130496456 171915177 /nfs/dbraw/zinc/91/51/77/171915177.db2.gz BVTNGMPSBIYTGR-JTQLQIEISA-N 0 3 226.389 3.230 20 0 BGADHN CCc1cnc(CN[C@H](C)CC(C)C)s1 ZINC000130496676 358628644 /nfs/dbraw/zinc/62/86/44/358628644.db2.gz BVTNGMPSBIYTGR-SNVBAGLBSA-N 0 3 226.389 3.230 20 0 BGADHN CC(C)[C@@H]1CCCC[C@@H]1N[C@@H](C)c1cnccn1 ZINC000130511733 325060575 /nfs/dbraw/zinc/06/05/75/325060575.db2.gz SARQRQYTYLJMOP-IHRRRGAJSA-N 0 3 247.386 3.342 20 0 BGADHN CC(C)[C@H]1CCCC[C@@H]1N[C@@H](C)c1cnccn1 ZINC000130511973 325060754 /nfs/dbraw/zinc/06/07/54/325060754.db2.gz SARQRQYTYLJMOP-MJBXVCDLSA-N 0 3 247.386 3.342 20 0 BGADHN CC(C)[C@@H]1CCCC[C@H]1N[C@@H](C)c1cnccn1 ZINC000130512207 325060863 /nfs/dbraw/zinc/06/08/63/325060863.db2.gz SARQRQYTYLJMOP-MELADBBJSA-N 0 3 247.386 3.342 20 0 BGADHN CC(C)[C@H]1CCCC[C@H]1N[C@@H](C)c1cnccn1 ZINC000130512406 325061006 /nfs/dbraw/zinc/06/10/06/325061006.db2.gz SARQRQYTYLJMOP-BFHYXJOUSA-N 0 3 247.386 3.342 20 0 BGADHN CN(Cc1coc2ccccc12)[C@@H]1CCSC1 ZINC000130517204 325060588 /nfs/dbraw/zinc/06/05/88/325060588.db2.gz DPLWWJOKMGQNCK-GFCCVEGCSA-N 0 3 247.363 3.370 20 0 BGADHN CN(Cc1coc2ccccc12)[C@H]1CCSC1 ZINC000130517455 325060800 /nfs/dbraw/zinc/06/08/00/325060800.db2.gz DPLWWJOKMGQNCK-LBPRGKRZSA-N 0 3 247.363 3.370 20 0 BGADHN CC[C@@H]1CCC[C@@H]1NCc1csc(C)n1 ZINC000130522050 385047983 /nfs/dbraw/zinc/04/79/83/385047983.db2.gz YBDUPTARWSIAMR-PWSUYJOCSA-N 0 3 224.373 3.120 20 0 BGADHN CC[C@H]1CCC[C@@H]1NCc1csc(C)n1 ZINC000130522275 385048353 /nfs/dbraw/zinc/04/83/53/385048353.db2.gz YBDUPTARWSIAMR-JQWIXIFHSA-N 0 3 224.373 3.120 20 0 BGADHN CC[C@@H]1CCC[C@H]1NCc1csc(C)n1 ZINC000130522502 171001000 /nfs/dbraw/zinc/00/10/00/171001000.db2.gz YBDUPTARWSIAMR-ZYHUDNBSSA-N 0 3 224.373 3.120 20 0 BGADHN CC[C@H]1CCC[C@H]1NCc1csc(C)n1 ZINC000130522677 385049659 /nfs/dbraw/zinc/04/96/59/385049659.db2.gz YBDUPTARWSIAMR-CMPLNLGQSA-N 0 3 224.373 3.120 20 0 BGADHN CC[C@@H]1CCC[C@@H]1NCc1nc(C)cs1 ZINC000130535053 188144572 /nfs/dbraw/zinc/14/45/72/188144572.db2.gz JJOUXICWZQRIAI-MNOVXSKESA-N 0 3 224.373 3.120 20 0 BGADHN CC[C@H]1CCC[C@@H]1NCc1nc(C)cs1 ZINC000130535243 385047136 /nfs/dbraw/zinc/04/71/36/385047136.db2.gz JJOUXICWZQRIAI-QWRGUYRKSA-N 0 3 224.373 3.120 20 0 BGADHN CC[C@@H]1CCC[C@H]1NCc1nc(C)cs1 ZINC000130535449 171001981 /nfs/dbraw/zinc/00/19/81/171001981.db2.gz JJOUXICWZQRIAI-GHMZBOCLSA-N 0 3 224.373 3.120 20 0 BGADHN CC[C@H]1CCC[C@H]1NCc1nc(C)cs1 ZINC000130535610 385047465 /nfs/dbraw/zinc/04/74/65/385047465.db2.gz JJOUXICWZQRIAI-WDEREUQCSA-N 0 3 224.373 3.120 20 0 BGADHN CCCC[C@@H](C)NCc1ncc(CC)s1 ZINC000130539483 344222354 /nfs/dbraw/zinc/22/23/54/344222354.db2.gz SNPUZLHDAMJIDI-SNVBAGLBSA-N 0 3 226.389 3.374 20 0 BGADHN CCCC[C@H](C)NCc1ncc(CC)s1 ZINC000130539713 344222633 /nfs/dbraw/zinc/22/26/33/344222633.db2.gz SNPUZLHDAMJIDI-JTQLQIEISA-N 0 3 226.389 3.374 20 0 BGADHN Cc1cc(CN(C)[C@@H]2CCSC2)ccc1F ZINC000130546878 385261619 /nfs/dbraw/zinc/26/16/19/385261619.db2.gz SXBGRPBDFBJGOA-GFCCVEGCSA-N 0 3 239.359 3.071 20 0 BGADHN Cc1cc(CN(C)[C@H]2CCSC2)ccc1F ZINC000130547095 385260366 /nfs/dbraw/zinc/26/03/66/385260366.db2.gz SXBGRPBDFBJGOA-LBPRGKRZSA-N 0 3 239.359 3.071 20 0 BGADHN CCc1cnc(CN[C@@H](CC)C(C)C)s1 ZINC000130572454 344221876 /nfs/dbraw/zinc/22/18/76/344221876.db2.gz RDTHGGVLNITPJO-NSHDSACASA-N 0 3 226.389 3.230 20 0 BGADHN CCc1cnc(CN[C@H](CC)C(C)C)s1 ZINC000130572679 344222043 /nfs/dbraw/zinc/22/20/43/344222043.db2.gz RDTHGGVLNITPJO-LLVKDONJSA-N 0 3 226.389 3.230 20 0 BGADHN Cc1cc(F)ccc1CN(C)[C@@H]1CCSC1 ZINC000130573210 178085635 /nfs/dbraw/zinc/08/56/35/178085635.db2.gz JISAAIHXVMCDOL-CYBMUJFWSA-N 0 3 239.359 3.071 20 0 BGADHN Cc1cc(F)ccc1CN(C)[C@H]1CCSC1 ZINC000130573428 178085324 /nfs/dbraw/zinc/08/53/24/178085324.db2.gz JISAAIHXVMCDOL-ZDUSSCGKSA-N 0 3 239.359 3.071 20 0 BGADHN CCc1cnc(CN[C@@H]2CCCC[C@@H]2C)s1 ZINC000130573743 325068142 /nfs/dbraw/zinc/06/81/42/325068142.db2.gz OXBSNSMLAQNTQL-CMPLNLGQSA-N 0 3 238.400 3.374 20 0 BGADHN CC(C)C1(CN[C@@H](C)c2cscn2)CC1 ZINC000130573917 385044363 /nfs/dbraw/zinc/04/43/63/385044363.db2.gz DGGDYMJQMIEFAH-JTQLQIEISA-N 0 3 224.373 3.230 20 0 BGADHN CCc1cnc(CN[C@H]2CCCC[C@@H]2C)s1 ZINC000130573973 325068082 /nfs/dbraw/zinc/06/80/82/325068082.db2.gz OXBSNSMLAQNTQL-JQWIXIFHSA-N 0 3 238.400 3.374 20 0 BGADHN CC(C)C1(CN[C@H](C)c2cscn2)CC1 ZINC000130574125 385043897 /nfs/dbraw/zinc/04/38/97/385043897.db2.gz DGGDYMJQMIEFAH-SNVBAGLBSA-N 0 3 224.373 3.230 20 0 BGADHN CCc1cnc(CN[C@@H]2CCCC[C@H]2C)s1 ZINC000130574179 325068149 /nfs/dbraw/zinc/06/81/49/325068149.db2.gz OXBSNSMLAQNTQL-ZYHUDNBSSA-N 0 3 238.400 3.374 20 0 BGADHN CCc1cnc(CN[C@H]2CCCC[C@H]2C)s1 ZINC000130574374 325068091 /nfs/dbraw/zinc/06/80/91/325068091.db2.gz OXBSNSMLAQNTQL-PWSUYJOCSA-N 0 3 238.400 3.374 20 0 BGADHN CCn1nccc1CN1CCCC[C@@H]1CC(C)C ZINC000130588816 358632465 /nfs/dbraw/zinc/63/24/65/358632465.db2.gz UUPJORKADBAFQM-CQSZACIVSA-N 0 3 249.402 3.304 20 0 BGADHN CCn1nccc1CN1CCCC[C@H]1CC(C)C ZINC000130589014 358632533 /nfs/dbraw/zinc/63/25/33/358632533.db2.gz UUPJORKADBAFQM-AWEZNQCLSA-N 0 3 249.402 3.304 20 0 BGADHN Cc1nc(C)c([C@@H](C)N(C)CCCF)s1 ZINC000130596526 385263631 /nfs/dbraw/zinc/26/36/31/385263631.db2.gz AKKPBWJJTFPYEQ-SECBINFHSA-N 0 3 230.352 3.112 20 0 BGADHN Cc1nc(C)c([C@H](C)N(C)CCCF)s1 ZINC000130596731 385263760 /nfs/dbraw/zinc/26/37/60/385263760.db2.gz AKKPBWJJTFPYEQ-VIFPVBQESA-N 0 3 230.352 3.112 20 0 BGADHN CCc1cnc(CN[C@H](C)C(C)(C)C)s1 ZINC000130607247 343181359 /nfs/dbraw/zinc/18/13/59/343181359.db2.gz YKMDEBAZMASBDZ-SECBINFHSA-N 0 3 226.389 3.230 20 0 BGADHN Clc1ncccc1CNCCCC1CC1 ZINC000130616867 591489052 /nfs/dbraw/zinc/48/90/52/591489052.db2.gz FNNIEAYOZCXPSM-UHFFFAOYSA-N 0 3 224.735 3.015 20 0 BGADHN c1cc(CN2CCC[C@@]3(CC=CCC3)C2)ccn1 ZINC000130620114 358637530 /nfs/dbraw/zinc/63/75/30/358637530.db2.gz WBVFYQYOTYPCNZ-INIZCTEOSA-N 0 3 242.366 3.404 20 0 BGADHN c1cc(CN2CCC[C@]3(CC=CCC3)C2)ccn1 ZINC000130620323 358637535 /nfs/dbraw/zinc/63/75/35/358637535.db2.gz WBVFYQYOTYPCNZ-MRXNPFEDSA-N 0 3 242.366 3.404 20 0 BGADHN Cc1cc(Cl)ccc1CNCCOC(C)C ZINC000130622128 325074579 /nfs/dbraw/zinc/07/45/79/325074579.db2.gz ZPHMYEQUAOFUBF-UHFFFAOYSA-N 0 3 241.762 3.163 20 0 BGADHN Fc1cc(CNCCCC2CC2)cc(F)c1F ZINC000130624539 325074314 /nfs/dbraw/zinc/07/43/14/325074314.db2.gz HSRYAPDXTKANKG-UHFFFAOYSA-N 0 3 243.272 3.384 20 0 BGADHN c1sc(C2CC2)nc1CNCCCC1CC1 ZINC000130624781 363820716 /nfs/dbraw/zinc/82/07/16/363820716.db2.gz RKGRFUPQHFYMHM-UHFFFAOYSA-N 0 3 236.384 3.300 20 0 BGADHN CN(CCCCC(F)(F)F)Cc1ccco1 ZINC000130627991 385267442 /nfs/dbraw/zinc/26/74/42/385267442.db2.gz WQSVKMMOOLFNJE-UHFFFAOYSA-N 0 3 235.249 3.444 20 0 BGADHN CC(C)CSCCCN(C)Cc1ccco1 ZINC000130629304 325075194 /nfs/dbraw/zinc/07/51/94/325075194.db2.gz NZOLORDSRXXLSH-UHFFFAOYSA-N 0 3 241.400 3.491 20 0 BGADHN CCc1cnc(CN[C@@H](C)C2CCCC2)s1 ZINC000130638050 325075681 /nfs/dbraw/zinc/07/56/81/325075681.db2.gz GGWBEWPZOBXPSA-JTQLQIEISA-N 0 3 238.400 3.374 20 0 BGADHN CCc1cnc(CN[C@H](C)C2CCCC2)s1 ZINC000130638222 325075690 /nfs/dbraw/zinc/07/56/90/325075690.db2.gz GGWBEWPZOBXPSA-SNVBAGLBSA-N 0 3 238.400 3.374 20 0 BGADHN C[C@@H]1CCC[C@H](N(C)Cc2cncs2)C1 ZINC000130647678 323011716 /nfs/dbraw/zinc/01/17/16/323011716.db2.gz AFBIYNPWJIICFZ-MNOVXSKESA-N 0 3 224.373 3.154 20 0 BGADHN C[C@H]1CCC[C@H](N(C)Cc2cncs2)C1 ZINC000130647872 325076498 /nfs/dbraw/zinc/07/64/98/325076498.db2.gz AFBIYNPWJIICFZ-QWRGUYRKSA-N 0 3 224.373 3.154 20 0 BGADHN C[C@@H]1CCC[C@@H](N(C)Cc2cncs2)C1 ZINC000130648084 323011745 /nfs/dbraw/zinc/01/17/45/323011745.db2.gz AFBIYNPWJIICFZ-GHMZBOCLSA-N 0 3 224.373 3.154 20 0 BGADHN C[C@H]1CCC[C@@H](N(C)Cc2cncs2)C1 ZINC000130648308 325076159 /nfs/dbraw/zinc/07/61/59/325076159.db2.gz AFBIYNPWJIICFZ-WDEREUQCSA-N 0 3 224.373 3.154 20 0 BGADHN CCc1cnc(CN[C@H](C(C)C)C2CC2)s1 ZINC000130651140 323011798 /nfs/dbraw/zinc/01/17/98/323011798.db2.gz RUEPSSIQSPOHHU-CYBMUJFWSA-N 0 3 238.400 3.230 20 0 BGADHN CCc1cnc(CN[C@@H](C(C)C)C2CC2)s1 ZINC000130651353 325077018 /nfs/dbraw/zinc/07/70/18/325077018.db2.gz RUEPSSIQSPOHHU-ZDUSSCGKSA-N 0 3 238.400 3.230 20 0 BGADHN Cc1ncsc1CN(C)[C@@H]1CCC[C@H](C)C1 ZINC000130669786 325079443 /nfs/dbraw/zinc/07/94/43/325079443.db2.gz IGMYKTXGMPPZTQ-CMPLNLGQSA-N 0 3 238.400 3.462 20 0 BGADHN Cc1ncsc1CN(C)[C@H]1CCC[C@H](C)C1 ZINC000130670071 325078615 /nfs/dbraw/zinc/07/86/15/325078615.db2.gz IGMYKTXGMPPZTQ-JQWIXIFHSA-N 0 3 238.400 3.462 20 0 BGADHN Cc1ccncc1[C@@H](C)N[C@H]1C=CCCC1 ZINC000130678627 490444655 /nfs/dbraw/zinc/44/46/55/490444655.db2.gz ZLKNAFVBCQBGOZ-OLZOCXBDSA-N 0 3 216.328 3.149 20 0 BGADHN Cc1ccncc1[C@H](C)N[C@H]1C=CCCC1 ZINC000130678828 490444763 /nfs/dbraw/zinc/44/47/63/490444763.db2.gz ZLKNAFVBCQBGOZ-STQMWFEESA-N 0 3 216.328 3.149 20 0 BGADHN Cc1ccncc1[C@@H](C)N[C@@H]1C=CCCC1 ZINC000130679032 490444736 /nfs/dbraw/zinc/44/47/36/490444736.db2.gz ZLKNAFVBCQBGOZ-CHWSQXEVSA-N 0 3 216.328 3.149 20 0 BGADHN Cc1ccncc1[C@H](C)N[C@@H]1C=CCCC1 ZINC000130679226 490444861 /nfs/dbraw/zinc/44/48/61/490444861.db2.gz ZLKNAFVBCQBGOZ-QWHCGFSZSA-N 0 3 216.328 3.149 20 0 BGADHN C[C@@H](CCC(C)(C)C)NCc1ccccn1 ZINC000130679614 364029184 /nfs/dbraw/zinc/02/91/84/364029184.db2.gz APQJALDCEJRUOY-LBPRGKRZSA-N 0 3 220.360 3.386 20 0 BGADHN C[C@H](CCC(C)(C)C)NCc1ccccn1 ZINC000130679808 364030420 /nfs/dbraw/zinc/03/04/20/364030420.db2.gz APQJALDCEJRUOY-GFCCVEGCSA-N 0 3 220.360 3.386 20 0 BGADHN C[C@@H](CCC(C)(C)C)NCc1cscn1 ZINC000130683131 325080202 /nfs/dbraw/zinc/08/02/02/325080202.db2.gz IQDBAPIVKLKRJM-JTQLQIEISA-N 0 3 226.389 3.448 20 0 BGADHN C[C@H](CCC(C)(C)C)NCc1cscn1 ZINC000130683338 325080164 /nfs/dbraw/zinc/08/01/64/325080164.db2.gz IQDBAPIVKLKRJM-SNVBAGLBSA-N 0 3 226.389 3.448 20 0 BGADHN Fc1ccc(F)c(CNCC2(C3CC3)CC2)c1 ZINC000130715213 325082285 /nfs/dbraw/zinc/08/22/85/325082285.db2.gz VLEZBIVZXNPTEF-UHFFFAOYSA-N 0 3 237.293 3.245 20 0 BGADHN Fc1ccc(CNCC2(C3CC3)CC2)c(F)c1 ZINC000130715416 325082560 /nfs/dbraw/zinc/08/25/60/325082560.db2.gz UIXHDOKHIRWFIK-UHFFFAOYSA-N 0 3 237.293 3.245 20 0 BGADHN CC(C)CCN(C)CC1=Cc2ccccc2OC1 ZINC000130719595 491129278 /nfs/dbraw/zinc/12/92/78/491129278.db2.gz UTLAERQEDUQAAY-UHFFFAOYSA-N 0 3 245.366 3.440 20 0 BGADHN CC(C)CCN(C)Cc1c[nH]nc1C(C)(C)C ZINC000130721566 490449176 /nfs/dbraw/zinc/44/91/76/490449176.db2.gz KKCYJVBKHHMUNS-UHFFFAOYSA-N 0 3 237.391 3.185 20 0 BGADHN Fc1cccc(F)c1CNCC1(C2CC2)CC1 ZINC000130723033 325082132 /nfs/dbraw/zinc/08/21/32/325082132.db2.gz YIXQJKBSUMHKBS-UHFFFAOYSA-N 0 3 237.293 3.245 20 0 BGADHN CC(C)CCN(C)Cc1cnc(C2CC2)s1 ZINC000130727223 490449401 /nfs/dbraw/zinc/44/94/01/490449401.db2.gz CUDCZDUZVLWUPK-UHFFFAOYSA-N 0 3 238.400 3.498 20 0 BGADHN Cc1ccc2ncc(CN(C)CCC(C)C)n2c1 ZINC000130728955 490448737 /nfs/dbraw/zinc/44/87/37/490448737.db2.gz NYIQMOHYXHWGPN-UHFFFAOYSA-N 0 3 245.370 3.121 20 0 BGADHN CCC[C@@H](C)NCc1ccc(OC)cc1F ZINC000130731333 358642639 /nfs/dbraw/zinc/64/26/39/358642639.db2.gz YRWBTFRHKCZIHF-SNVBAGLBSA-N 0 3 225.307 3.113 20 0 BGADHN CCC[C@H](C)NCc1ccc(OC)cc1F ZINC000130731544 358642542 /nfs/dbraw/zinc/64/25/42/358642542.db2.gz YRWBTFRHKCZIHF-JTQLQIEISA-N 0 3 225.307 3.113 20 0 BGADHN c1cc(CN2CCC3(CCCC3)CC2)ccn1 ZINC000130756854 183340204 /nfs/dbraw/zinc/34/02/04/183340204.db2.gz BAHPXQOYSIXLSW-UHFFFAOYSA-N 0 3 230.355 3.238 20 0 BGADHN CSCC[C@H](C)NCc1cc(C)ccc1F ZINC000130780434 591520394 /nfs/dbraw/zinc/52/03/94/591520394.db2.gz GTBCERXZGHKRDP-NSHDSACASA-N 0 3 241.375 3.365 20 0 BGADHN CSCC[C@@H](C)NCc1cc(C)ccc1F ZINC000130780655 582866873 /nfs/dbraw/zinc/86/68/73/582866873.db2.gz GTBCERXZGHKRDP-LLVKDONJSA-N 0 3 241.375 3.365 20 0 BGADHN CCCC1(CN[C@@H](C)c2cscn2)CC1 ZINC000130786184 385061010 /nfs/dbraw/zinc/06/10/10/385061010.db2.gz FQHBNPZYJWKAQK-JTQLQIEISA-N 0 3 224.373 3.374 20 0 BGADHN CCCC1(CN[C@H](C)c2cscn2)CC1 ZINC000130786381 385061358 /nfs/dbraw/zinc/06/13/58/385061358.db2.gz FQHBNPZYJWKAQK-SNVBAGLBSA-N 0 3 224.373 3.374 20 0 BGADHN CCCC1(CN[C@@H](C)c2cncs2)CC1 ZINC000130789446 385060148 /nfs/dbraw/zinc/06/01/48/385060148.db2.gz XWVAGGFTMQZVTH-JTQLQIEISA-N 0 3 224.373 3.374 20 0 BGADHN CCCC1(CN[C@H](C)c2cncs2)CC1 ZINC000130789617 385059838 /nfs/dbraw/zinc/05/98/38/385059838.db2.gz XWVAGGFTMQZVTH-SNVBAGLBSA-N 0 3 224.373 3.374 20 0 BGADHN CCCCN1CCC[C@@H]1c1ccc(COC)o1 ZINC000130803115 385284680 /nfs/dbraw/zinc/28/46/80/385284680.db2.gz WVEIPUKBEFLENX-CYBMUJFWSA-N 0 3 237.343 3.363 20 0 BGADHN CCCCN1CCC[C@H]1c1ccc(COC)o1 ZINC000130803341 385285942 /nfs/dbraw/zinc/28/59/42/385285942.db2.gz WVEIPUKBEFLENX-ZDUSSCGKSA-N 0 3 237.343 3.363 20 0 BGADHN Cc1ccc([C@@H](C)N(C)CC2=CCCOC2)cc1 ZINC000130812579 385285272 /nfs/dbraw/zinc/28/52/72/385285272.db2.gz YPDQASHPHOYUDJ-CQSZACIVSA-N 0 3 245.366 3.335 20 0 BGADHN Cc1ccc([C@H](C)N(C)CC2=CCCOC2)cc1 ZINC000130812787 385285209 /nfs/dbraw/zinc/28/52/09/385285209.db2.gz YPDQASHPHOYUDJ-AWEZNQCLSA-N 0 3 245.366 3.335 20 0 BGADHN CC[C@H](NCc1nc(C2CC2)cs1)C1CC1 ZINC000130826215 358648937 /nfs/dbraw/zinc/64/89/37/358648937.db2.gz WSVTUPKUWCVUCI-NSHDSACASA-N 0 3 236.384 3.299 20 0 BGADHN CC[C@@H](NCc1nc(C2CC2)cs1)C1CC1 ZINC000130826421 358649130 /nfs/dbraw/zinc/64/91/30/358649130.db2.gz WSVTUPKUWCVUCI-LLVKDONJSA-N 0 3 236.384 3.299 20 0 BGADHN CCCCN(C)Cc1nc2cc(F)ccc2o1 ZINC000130859860 358649991 /nfs/dbraw/zinc/64/99/91/358649991.db2.gz RWLMSNMHMMNZRZ-UHFFFAOYSA-N 0 3 236.290 3.199 20 0 BGADHN CC[C@@H]1CCCN(Cc2nc(C)cs2)CC1 ZINC000130887798 358651460 /nfs/dbraw/zinc/65/14/60/358651460.db2.gz PFTKLTBJBCIPCI-GFCCVEGCSA-N 0 3 238.400 3.464 20 0 BGADHN CC[C@H]1CCCN(Cc2nc(C)cs2)CC1 ZINC000130888007 358651057 /nfs/dbraw/zinc/65/10/57/358651057.db2.gz PFTKLTBJBCIPCI-LBPRGKRZSA-N 0 3 238.400 3.464 20 0 BGADHN Cc1csc(CN2CCCC[C@@H]2C(C)C)n1 ZINC000130889010 358650669 /nfs/dbraw/zinc/65/06/69/358650669.db2.gz KDQJMSUGHOKXPJ-GFCCVEGCSA-N 0 3 238.400 3.462 20 0 BGADHN Cc1csc(CN2CCCC[C@H]2C(C)C)n1 ZINC000130889212 358651477 /nfs/dbraw/zinc/65/14/77/358651477.db2.gz KDQJMSUGHOKXPJ-LBPRGKRZSA-N 0 3 238.400 3.462 20 0 BGADHN Cl/C=C/CN1CC[C@@H](Cc2ccccc2)C1 ZINC000130889423 591533879 /nfs/dbraw/zinc/53/38/79/591533879.db2.gz RDZIZPRIBOHBBN-PXYYCUNGSA-N 0 3 235.758 3.304 20 0 BGADHN Cl/C=C/CN1CC[C@H](Cc2ccccc2)C1 ZINC000130889627 591533503 /nfs/dbraw/zinc/53/35/03/591533503.db2.gz RDZIZPRIBOHBBN-YOIVXCQUSA-N 0 3 235.758 3.304 20 0 BGADHN CCCn1cc(CN2CCCC(C)(C)CC2)cn1 ZINC000130898038 358651550 /nfs/dbraw/zinc/65/15/50/358651550.db2.gz VLIKXDPLIMUFHC-UHFFFAOYSA-N 0 3 249.402 3.305 20 0 BGADHN Cc1ccc(C)c([C@@H](C)NCCOC(C)C)c1 ZINC000130912353 325102007 /nfs/dbraw/zinc/10/20/07/325102007.db2.gz ZLDVLZVTPKJPLL-CQSZACIVSA-N 0 3 235.371 3.379 20 0 BGADHN Cc1ccc(C)c([C@H](C)NCCOC(C)C)c1 ZINC000130912571 325101719 /nfs/dbraw/zinc/10/17/19/325101719.db2.gz ZLDVLZVTPKJPLL-AWEZNQCLSA-N 0 3 235.371 3.379 20 0 BGADHN C[C@@H](CC(F)(F)F)N[C@@H](C)c1ccoc1 ZINC000130929658 343182066 /nfs/dbraw/zinc/18/20/66/343182066.db2.gz XOHGYVQXEPTUML-YUMQZZPRSA-N 0 3 221.222 3.271 20 0 BGADHN C[C@H](CC(F)(F)F)N[C@@H](C)c1ccoc1 ZINC000130929853 343182332 /nfs/dbraw/zinc/18/23/32/343182332.db2.gz XOHGYVQXEPTUML-SFYZADRCSA-N 0 3 221.222 3.271 20 0 BGADHN C[C@@H](N[C@@H](C)CC(F)(F)F)c1ccoc1 ZINC000130930105 343181959 /nfs/dbraw/zinc/18/19/59/343181959.db2.gz XOHGYVQXEPTUML-JGVFFNPUSA-N 0 3 221.222 3.271 20 0 BGADHN C[C@H](CC(F)(F)F)N[C@H](C)c1ccoc1 ZINC000130930340 343181969 /nfs/dbraw/zinc/18/19/69/343181969.db2.gz XOHGYVQXEPTUML-HTQZYQBOSA-N 0 3 221.222 3.271 20 0 BGADHN C[C@H](NCc1coc2ccccc12)[C@@H]1CCCO1 ZINC000130936032 358653863 /nfs/dbraw/zinc/65/38/63/358653863.db2.gz WKBRIJXDLMPHSX-FZMZJTMJSA-N 0 3 245.322 3.090 20 0 BGADHN C[C@@H](NCc1coc2ccccc12)[C@@H]1CCCO1 ZINC000130936251 358653701 /nfs/dbraw/zinc/65/37/01/358653701.db2.gz WKBRIJXDLMPHSX-RISCZKNCSA-N 0 3 245.322 3.090 20 0 BGADHN C[C@H](NCc1coc2ccccc12)[C@H]1CCCO1 ZINC000130936476 358654113 /nfs/dbraw/zinc/65/41/13/358654113.db2.gz WKBRIJXDLMPHSX-SMDDNHRTSA-N 0 3 245.322 3.090 20 0 BGADHN C[C@@H](NCc1coc2ccccc12)[C@H]1CCCO1 ZINC000130936673 358653990 /nfs/dbraw/zinc/65/39/90/358653990.db2.gz WKBRIJXDLMPHSX-BXUZGUMPSA-N 0 3 245.322 3.090 20 0 BGADHN Cc1cccc([C@@H](C)N(C)CCOCC2CC2)c1 ZINC000130941288 325103309 /nfs/dbraw/zinc/10/33/09/325103309.db2.gz FQGYASABAAINSR-CQSZACIVSA-N 0 3 247.382 3.414 20 0 BGADHN Cc1cccc([C@H](C)N(C)CCOCC2CC2)c1 ZINC000130941508 325103242 /nfs/dbraw/zinc/10/32/42/325103242.db2.gz FQGYASABAAINSR-AWEZNQCLSA-N 0 3 247.382 3.414 20 0 BGADHN c1coc(CCNCc2coc3ccccc23)c1 ZINC000130942126 358654507 /nfs/dbraw/zinc/65/45/07/358654507.db2.gz QQIJWMOTTKVKFS-UHFFFAOYSA-N 0 3 241.290 3.358 20 0 BGADHN C[C@H](NC[C@H]1C[C@H]1C)c1ccc(F)cc1F ZINC000130944026 325103823 /nfs/dbraw/zinc/10/38/23/325103823.db2.gz BSDJJMPAFJJTIG-KXUCPTDWSA-N 0 3 225.282 3.271 20 0 BGADHN C[C@H](NC[C@H]1C[C@@H]1C)c1ccc(F)cc1F ZINC000130944238 325103864 /nfs/dbraw/zinc/10/38/64/325103864.db2.gz BSDJJMPAFJJTIG-LPEHRKFASA-N 0 3 225.282 3.271 20 0 BGADHN C[C@H](NC[C@@H]1C[C@H]1C)c1ccc(F)cc1F ZINC000130944453 325103819 /nfs/dbraw/zinc/10/38/19/325103819.db2.gz BSDJJMPAFJJTIG-UTLUCORTSA-N 0 3 225.282 3.271 20 0 BGADHN C[C@H](NC[C@@H]1C[C@@H]1C)c1ccc(F)cc1F ZINC000130944614 325104018 /nfs/dbraw/zinc/10/40/18/325104018.db2.gz BSDJJMPAFJJTIG-GUBZILKMSA-N 0 3 225.282 3.271 20 0 BGADHN CCCCOCCNCc1coc2ccccc12 ZINC000130963682 358654983 /nfs/dbraw/zinc/65/49/83/358654983.db2.gz QARQUPSLNOBTJF-UHFFFAOYSA-N 0 3 247.338 3.339 20 0 BGADHN c1oc2ccccc2c1CNC[C@@H]1CCCCO1 ZINC000130970019 358654854 /nfs/dbraw/zinc/65/48/54/358654854.db2.gz HDOFYLRESOVVBS-ZDUSSCGKSA-N 0 3 245.322 3.092 20 0 BGADHN c1oc2ccccc2c1CNC[C@H]1CCCCO1 ZINC000130970201 358654743 /nfs/dbraw/zinc/65/47/43/358654743.db2.gz HDOFYLRESOVVBS-CYBMUJFWSA-N 0 3 245.322 3.092 20 0 BGADHN C[C@H](NCCCF)c1ccc(Cl)c(F)c1 ZINC000130973393 325105558 /nfs/dbraw/zinc/10/55/58/325105558.db2.gz QKBFJWMZGNHUGC-QMMMGPOBSA-N 0 3 233.689 3.489 20 0 BGADHN C[C@@H](NCCCF)c1ccc(Cl)c(F)c1 ZINC000130973594 325105452 /nfs/dbraw/zinc/10/54/52/325105452.db2.gz QKBFJWMZGNHUGC-MRVPVSSYSA-N 0 3 233.689 3.489 20 0 BGADHN CO[C@@H]1CCC[C@@H]1NCc1coc2ccccc12 ZINC000130978097 591539510 /nfs/dbraw/zinc/53/95/10/591539510.db2.gz CWMDFJMQSVURAS-DZGCQCFKSA-N 0 3 245.322 3.090 20 0 BGADHN CCn1nccc1CN1CCC2(C1)CCCCC2 ZINC000130978129 358655504 /nfs/dbraw/zinc/65/55/04/358655504.db2.gz BJBYBBPFFKFHEO-UHFFFAOYSA-N 0 3 247.386 3.059 20 0 BGADHN CO[C@H]1CCC[C@@H]1NCc1coc2ccccc12 ZINC000130978293 591539611 /nfs/dbraw/zinc/53/96/11/591539611.db2.gz CWMDFJMQSVURAS-ZFWWWQNUSA-N 0 3 245.322 3.090 20 0 BGADHN CO[C@@H]1CCC[C@H]1NCc1coc2ccccc12 ZINC000130978500 325105404 /nfs/dbraw/zinc/10/54/04/325105404.db2.gz CWMDFJMQSVURAS-UKRRQHHQSA-N 0 3 245.322 3.090 20 0 BGADHN CO[C@H]1CCC[C@H]1NCc1coc2ccccc12 ZINC000130978704 591539917 /nfs/dbraw/zinc/53/99/17/591539917.db2.gz CWMDFJMQSVURAS-HIFRSBDPSA-N 0 3 245.322 3.090 20 0 BGADHN Cc1csc(CN2C[C@H](C)CCC[C@@H]2C)n1 ZINC000130984881 358655442 /nfs/dbraw/zinc/65/54/42/358655442.db2.gz FHFXKMSHMSSLMK-PWSUYJOCSA-N 0 3 238.400 3.462 20 0 BGADHN Cc1csc(CN2C[C@@H](C)CCC[C@@H]2C)n1 ZINC000130985082 358655464 /nfs/dbraw/zinc/65/54/64/358655464.db2.gz FHFXKMSHMSSLMK-JQWIXIFHSA-N 0 3 238.400 3.462 20 0 BGADHN FC(F)(F)CCNCc1coc2ccccc12 ZINC000130986324 358655466 /nfs/dbraw/zinc/65/54/66/358655466.db2.gz HJCKVNHPUNHPRE-UHFFFAOYSA-N 0 3 243.228 3.475 20 0 BGADHN COc1ccnc(CN2C[C@H](C)CCC[C@@H]2C)c1 ZINC000131002880 136372841 /nfs/dbraw/zinc/37/28/41/136372841.db2.gz ZMINGJUHVHEULE-OLZOCXBDSA-N 0 3 248.370 3.101 20 0 BGADHN COc1ccnc(CN2C[C@@H](C)CCC[C@@H]2C)c1 ZINC000131003068 175360069 /nfs/dbraw/zinc/36/00/69/175360069.db2.gz ZMINGJUHVHEULE-STQMWFEESA-N 0 3 248.370 3.101 20 0 BGADHN COc1ccnc(CN2C[C@H](C)CCC[C@H]2C)c1 ZINC000131003292 136372726 /nfs/dbraw/zinc/37/27/26/136372726.db2.gz ZMINGJUHVHEULE-CHWSQXEVSA-N 0 3 248.370 3.101 20 0 BGADHN COc1ccnc(CN2C[C@@H](C)CCC[C@H]2C)c1 ZINC000131003495 175360249 /nfs/dbraw/zinc/36/02/49/175360249.db2.gz ZMINGJUHVHEULE-QWHCGFSZSA-N 0 3 248.370 3.101 20 0 BGADHN COC[C@@H](NCc1coc2ccccc12)C(C)C ZINC000131007221 385298748 /nfs/dbraw/zinc/29/87/48/385298748.db2.gz JWJKDUNNHUJKJR-CQSZACIVSA-N 0 3 247.338 3.193 20 0 BGADHN COC[C@H](NCc1coc2ccccc12)C(C)C ZINC000131007441 385299526 /nfs/dbraw/zinc/29/95/26/385299526.db2.gz JWJKDUNNHUJKJR-AWEZNQCLSA-N 0 3 247.338 3.193 20 0 BGADHN c1ccc(CCCCNCc2ccccn2)cc1 ZINC000131013524 490466883 /nfs/dbraw/zinc/46/68/83/490466883.db2.gz MWTDNBPRUNNEPY-UHFFFAOYSA-N 0 3 240.350 3.194 20 0 BGADHN C[C@]1(CNCc2coc3ccccc23)CCCO1 ZINC000131021542 358657326 /nfs/dbraw/zinc/65/73/26/358657326.db2.gz YKJNIDKOZGOHEZ-OAHLLOKOSA-N 0 3 245.322 3.092 20 0 BGADHN C[C@@]1(CNCc2coc3ccccc23)CCCO1 ZINC000131021745 358657235 /nfs/dbraw/zinc/65/72/35/358657235.db2.gz YKJNIDKOZGOHEZ-HNNXBMFYSA-N 0 3 245.322 3.092 20 0 BGADHN C[C@H](NC1CC=CC1)c1ccc(F)cc1F ZINC000131034743 490468379 /nfs/dbraw/zinc/46/83/79/490468379.db2.gz MZLHLFHRUBPSJE-VIFPVBQESA-N 0 3 223.266 3.334 20 0 BGADHN C[C@@H](NC1CC=CC1)c1ccc(F)cc1F ZINC000131034954 490468328 /nfs/dbraw/zinc/46/83/28/490468328.db2.gz MZLHLFHRUBPSJE-SECBINFHSA-N 0 3 223.266 3.334 20 0 BGADHN C[C@H](NC1CC=CC1)c1ccccc1F ZINC000131035155 490356513 /nfs/dbraw/zinc/35/65/13/490356513.db2.gz KFRVHAKEBZOWMC-JTQLQIEISA-N 0 3 205.276 3.195 20 0 BGADHN C[C@@H](NC1CC=CC1)c1ccccc1F ZINC000131035368 490468669 /nfs/dbraw/zinc/46/86/69/490468669.db2.gz KFRVHAKEBZOWMC-SNVBAGLBSA-N 0 3 205.276 3.195 20 0 BGADHN C[C@H](NC1CC=CC1)c1cc(F)ccc1F ZINC000131048539 490469627 /nfs/dbraw/zinc/46/96/27/490469627.db2.gz AMXFMGHASCWBRL-VIFPVBQESA-N 0 3 223.266 3.334 20 0 BGADHN C[C@@H](NC1CC=CC1)c1cc(F)ccc1F ZINC000131048770 490470009 /nfs/dbraw/zinc/47/00/09/490470009.db2.gz AMXFMGHASCWBRL-SECBINFHSA-N 0 3 223.266 3.334 20 0 BGADHN Cc1csc(CN2CCC3(CCCC3)C2)n1 ZINC000131053328 358659067 /nfs/dbraw/zinc/65/90/67/358659067.db2.gz SSTXOKITPPZBFA-UHFFFAOYSA-N 0 3 236.384 3.218 20 0 BGADHN CC(C)(C)CNCc1nc(C2CC2)cs1 ZINC000131060606 490471301 /nfs/dbraw/zinc/47/13/01/490471301.db2.gz RBRAMDAOKFOKNM-UHFFFAOYSA-N 0 3 224.373 3.156 20 0 BGADHN C[C@H](NCCCC(F)(F)F)c1ccco1 ZINC000131070645 385069704 /nfs/dbraw/zinc/06/97/04/385069704.db2.gz NXLAUQGRFVHITQ-QMMMGPOBSA-N 0 3 221.222 3.273 20 0 BGADHN C[C@@H](NCCCC(F)(F)F)c1ccco1 ZINC000131070865 385071253 /nfs/dbraw/zinc/07/12/53/385071253.db2.gz NXLAUQGRFVHITQ-MRVPVSSYSA-N 0 3 221.222 3.273 20 0 BGADHN Cc1csc(CN2CC[C@H](CC(C)C)C2)n1 ZINC000131071856 358659021 /nfs/dbraw/zinc/65/90/21/358659021.db2.gz XKGOCYSUXXGERA-GFCCVEGCSA-N 0 3 238.400 3.320 20 0 BGADHN Cc1csc(CN2CC[C@@H](CC(C)C)C2)n1 ZINC000131072119 358659150 /nfs/dbraw/zinc/65/91/50/358659150.db2.gz XKGOCYSUXXGERA-LBPRGKRZSA-N 0 3 238.400 3.320 20 0 BGADHN Cc1cncc(CN[C@@H](C)c2ccc(F)cc2)c1 ZINC000131105672 325116567 /nfs/dbraw/zinc/11/65/67/325116567.db2.gz FGTLQVPEQIACEX-LBPRGKRZSA-N 0 3 244.313 3.380 20 0 BGADHN Cc1cncc(CN[C@H](C)c2ccc(F)cc2)c1 ZINC000131105881 325117028 /nfs/dbraw/zinc/11/70/28/325117028.db2.gz FGTLQVPEQIACEX-GFCCVEGCSA-N 0 3 244.313 3.380 20 0 BGADHN C1=CCC(Nc2ccnc3ccccc32)C1 ZINC000131109024 490534154 /nfs/dbraw/zinc/53/41/54/490534154.db2.gz TZRCCSPURLAVTE-UHFFFAOYSA-N 0 3 210.280 3.365 20 0 BGADHN COc1ccccc1CN[C@@H](C)CC(F)(F)F ZINC000131113009 325117660 /nfs/dbraw/zinc/11/76/60/325117660.db2.gz YDOITENYEXAQJT-VIFPVBQESA-N 0 3 247.260 3.126 20 0 BGADHN COc1ccccc1CN[C@H](C)CC(F)(F)F ZINC000131113221 325118534 /nfs/dbraw/zinc/11/85/34/325118534.db2.gz YDOITENYEXAQJT-SECBINFHSA-N 0 3 247.260 3.126 20 0 BGADHN Cc1cncc(CN[C@@H](C)c2ccccc2)c1 ZINC000131114253 385310707 /nfs/dbraw/zinc/31/07/07/385310707.db2.gz INVWUMZVIDQVRC-ZDUSSCGKSA-N 0 3 226.323 3.241 20 0 BGADHN Cc1cncc(CN[C@H](C)c2ccccc2)c1 ZINC000131114462 385310981 /nfs/dbraw/zinc/31/09/81/385310981.db2.gz INVWUMZVIDQVRC-CYBMUJFWSA-N 0 3 226.323 3.241 20 0 BGADHN CCCn1cc(CN2CCC(C(C)C)CC2)cn1 ZINC000131119766 325119482 /nfs/dbraw/zinc/11/94/82/325119482.db2.gz KYHZYHRRRNZRAT-UHFFFAOYSA-N 0 3 249.402 3.161 20 0 BGADHN C[C@@H]1C[C@@H]1CNCc1cccc(Cl)c1F ZINC000131121477 325119203 /nfs/dbraw/zinc/11/92/03/325119203.db2.gz WEHBBOSVABEYIE-PSASIEDQSA-N 0 3 227.710 3.225 20 0 BGADHN C[C@H]1C[C@@H]1CNCc1cccc(Cl)c1F ZINC000131121723 325119381 /nfs/dbraw/zinc/11/93/81/325119381.db2.gz WEHBBOSVABEYIE-WCBMZHEXSA-N 0 3 227.710 3.225 20 0 BGADHN C[C@@H]1C[C@H]1CNCc1cccc(Cl)c1F ZINC000131121918 325119253 /nfs/dbraw/zinc/11/92/53/325119253.db2.gz WEHBBOSVABEYIE-SCZZXKLOSA-N 0 3 227.710 3.225 20 0 BGADHN C[C@H]1C[C@H]1CNCc1cccc(Cl)c1F ZINC000131122091 325119073 /nfs/dbraw/zinc/11/90/73/325119073.db2.gz WEHBBOSVABEYIE-WPRPVWTQSA-N 0 3 227.710 3.225 20 0 BGADHN CC1(C)C[C@@H]1NCc1cccc(Cl)c1F ZINC000131123182 344228816 /nfs/dbraw/zinc/22/88/16/344228816.db2.gz HTCFQEMBUNUTAN-JTQLQIEISA-N 0 3 227.710 3.367 20 0 BGADHN CC1(C)C[C@H]1NCc1cccc(Cl)c1F ZINC000131123358 344228755 /nfs/dbraw/zinc/22/87/55/344228755.db2.gz HTCFQEMBUNUTAN-SNVBAGLBSA-N 0 3 227.710 3.367 20 0 BGADHN CCC[C@H](O)CN[C@@H](C)c1cc2ccccc2o1 ZINC000131124019 385311300 /nfs/dbraw/zinc/31/13/00/385311300.db2.gz CLVGFMGFUAISCX-AAEUAGOBSA-N 0 3 247.338 3.244 20 0 BGADHN CCC[C@@H](O)CN[C@@H](C)c1cc2ccccc2o1 ZINC000131124210 385310187 /nfs/dbraw/zinc/31/01/87/385310187.db2.gz CLVGFMGFUAISCX-WCQYABFASA-N 0 3 247.338 3.244 20 0 BGADHN CCC[C@H](O)CN[C@H](C)c1cc2ccccc2o1 ZINC000131124400 385311455 /nfs/dbraw/zinc/31/14/55/385311455.db2.gz CLVGFMGFUAISCX-YPMHNXCESA-N 0 3 247.338 3.244 20 0 BGADHN CCC[C@@H](O)CN[C@H](C)c1cc2ccccc2o1 ZINC000131124586 385311828 /nfs/dbraw/zinc/31/18/28/385311828.db2.gz CLVGFMGFUAISCX-DGCLKSJQSA-N 0 3 247.338 3.244 20 0 BGADHN Fc1c(Cl)cccc1CNCC1CCC1 ZINC000131125282 344228804 /nfs/dbraw/zinc/22/88/04/344228804.db2.gz PKGCAWAWLJMBGZ-UHFFFAOYSA-N 0 3 227.710 3.369 20 0 BGADHN Fc1c(Cl)cccc1CNC1CCC1 ZINC000131130314 386194896 /nfs/dbraw/zinc/19/48/96/386194896.db2.gz CFYRFDYLMNHVHU-UHFFFAOYSA-N 0 3 213.683 3.121 20 0 BGADHN CSCCCNCc1cccc(Cl)c1F ZINC000131135885 325120892 /nfs/dbraw/zinc/12/08/92/325120892.db2.gz KCXNGGGTCNKASU-UHFFFAOYSA-N 0 3 247.766 3.322 20 0 BGADHN CSC[C@H](C)NCc1cccc(Cl)c1F ZINC000131136539 344228493 /nfs/dbraw/zinc/22/84/93/344228493.db2.gz MRBBTTBPTARODX-QMMMGPOBSA-N 0 3 247.766 3.320 20 0 BGADHN CSC[C@@H](C)NCc1cccc(Cl)c1F ZINC000131136743 344228783 /nfs/dbraw/zinc/22/87/83/344228783.db2.gz MRBBTTBPTARODX-MRVPVSSYSA-N 0 3 247.766 3.320 20 0 BGADHN Fc1c(Cl)cccc1CNCCC1CC1 ZINC000131141036 490621597 /nfs/dbraw/zinc/62/15/97/490621597.db2.gz OKBJFINCQACQJV-UHFFFAOYSA-N 0 3 227.710 3.369 20 0 BGADHN CC1CC(NCc2cccc(Cl)c2F)C1 ZINC000131143127 344228670 /nfs/dbraw/zinc/22/86/70/344228670.db2.gz DKTGTFLGLYXBCZ-UHFFFAOYSA-N 0 3 227.710 3.367 20 0 BGADHN C[C@H](N[C@@H]1CCOC1)c1ccc2ccccc2c1 ZINC000131158496 385312829 /nfs/dbraw/zinc/31/28/29/385312829.db2.gz XQORGXIMXSYUKK-BLLLJJGKSA-N 0 3 241.334 3.279 20 0 BGADHN C[C@@H](N[C@@H]1CCOC1)c1ccc2ccccc2c1 ZINC000131158711 385312744 /nfs/dbraw/zinc/31/27/44/385312744.db2.gz XQORGXIMXSYUKK-MLGOLLRUSA-N 0 3 241.334 3.279 20 0 BGADHN C[C@H](N[C@H]1CCOC1)c1ccc2ccccc2c1 ZINC000131158941 385314163 /nfs/dbraw/zinc/31/41/63/385314163.db2.gz XQORGXIMXSYUKK-LRDDRELGSA-N 0 3 241.334 3.279 20 0 BGADHN C[C@@H](N[C@H]1CCOC1)c1ccc2ccccc2c1 ZINC000131159122 385314917 /nfs/dbraw/zinc/31/49/17/385314917.db2.gz XQORGXIMXSYUKK-WBMJQRKESA-N 0 3 241.334 3.279 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CNC2(C)CCOCC2)o1 ZINC000131161416 385313378 /nfs/dbraw/zinc/31/33/78/385313378.db2.gz OHMINEQZQPCQOQ-YPMHNXCESA-N 0 3 249.354 3.062 20 0 BGADHN C[C@H]1C[C@@H]1c1ccc(CNC2(C)CCOCC2)o1 ZINC000131161604 177352087 /nfs/dbraw/zinc/35/20/87/177352087.db2.gz OHMINEQZQPCQOQ-AAEUAGOBSA-N 0 3 249.354 3.062 20 0 BGADHN C[C@@H]1C[C@H]1c1ccc(CNC2(C)CCOCC2)o1 ZINC000131161837 385313349 /nfs/dbraw/zinc/31/33/49/385313349.db2.gz OHMINEQZQPCQOQ-DGCLKSJQSA-N 0 3 249.354 3.062 20 0 BGADHN CCCc1ccc([C@@H](C)N[C@@H]2CCOC2)cc1 ZINC000131162002 358663726 /nfs/dbraw/zinc/66/37/26/358663726.db2.gz HEIISXKWWGPLNH-IUODEOHRSA-N 0 3 233.355 3.079 20 0 BGADHN C[C@H]1C[C@H]1c1ccc(CNC2(C)CCOCC2)o1 ZINC000131162054 385312556 /nfs/dbraw/zinc/31/25/56/385312556.db2.gz OHMINEQZQPCQOQ-WCQYABFASA-N 0 3 249.354 3.062 20 0 BGADHN CCCc1ccc([C@H](C)N[C@@H]2CCOC2)cc1 ZINC000131162210 358663297 /nfs/dbraw/zinc/66/32/97/358663297.db2.gz HEIISXKWWGPLNH-SWLSCSKDSA-N 0 3 233.355 3.079 20 0 BGADHN CCCc1ccc([C@@H](C)N[C@H]2CCOC2)cc1 ZINC000131162384 358663119 /nfs/dbraw/zinc/66/31/19/358663119.db2.gz HEIISXKWWGPLNH-DOMZBBRYSA-N 0 3 233.355 3.079 20 0 BGADHN CCCc1ccc([C@H](C)N[C@H]2CCOC2)cc1 ZINC000131162602 358663208 /nfs/dbraw/zinc/66/32/08/358663208.db2.gz HEIISXKWWGPLNH-WFASDCNBSA-N 0 3 233.355 3.079 20 0 BGADHN c1sc(CNC2CCCC2)nc1C1CC1 ZINC000131167683 591565152 /nfs/dbraw/zinc/56/51/52/591565152.db2.gz VIAVSFMDGHQGEU-UHFFFAOYSA-N 0 3 222.357 3.053 20 0 BGADHN C1=CCC(NCc2cc3ccccc3o2)C1 ZINC000131172950 490621507 /nfs/dbraw/zinc/62/15/07/490621507.db2.gz CPFVMNIFVWXEQR-UHFFFAOYSA-N 0 3 213.280 3.241 20 0 BGADHN COc1ccc(Cl)cc1CNC1CC=CC1 ZINC000131173850 591564810 /nfs/dbraw/zinc/56/48/10/591564810.db2.gz HRQZGLZNRUIJEQ-UHFFFAOYSA-N 0 3 237.730 3.157 20 0 BGADHN Fc1c(Cl)cccc1CNC1CC=CC1 ZINC000131174320 490622908 /nfs/dbraw/zinc/62/29/08/490622908.db2.gz MPRKZIPTLYQNSG-UHFFFAOYSA-N 0 3 225.694 3.287 20 0 BGADHN CC(C)(C)c1ncc(CNC2CC=CC2)s1 ZINC000131189028 490623773 /nfs/dbraw/zinc/62/37/73/490623773.db2.gz NACNAISYRAMWMQ-UHFFFAOYSA-N 0 3 236.384 3.249 20 0 BGADHN C[C@@H]1CCC[C@@H]1NCc1nc(C2CC2)cs1 ZINC000131190655 325124600 /nfs/dbraw/zinc/12/46/00/325124600.db2.gz FCUSEWBDVLLXIB-KOLCDFICSA-N 0 3 236.384 3.299 20 0 BGADHN C[C@H]1CCC[C@@H]1NCc1nc(C2CC2)cs1 ZINC000131190857 325124712 /nfs/dbraw/zinc/12/47/12/325124712.db2.gz FCUSEWBDVLLXIB-ONGXEEELSA-N 0 3 236.384 3.299 20 0 BGADHN C[C@@H]1CCC[C@H]1NCc1nc(C2CC2)cs1 ZINC000131191040 325124784 /nfs/dbraw/zinc/12/47/84/325124784.db2.gz FCUSEWBDVLLXIB-MWLCHTKSSA-N 0 3 236.384 3.299 20 0 BGADHN C[C@H]1CCC[C@H]1NCc1nc(C2CC2)cs1 ZINC000131191232 325124452 /nfs/dbraw/zinc/12/44/52/325124452.db2.gz FCUSEWBDVLLXIB-GXSJLCMTSA-N 0 3 236.384 3.299 20 0 BGADHN Clc1ccccc1CNC1CC=CC1 ZINC000131197336 371568358 /nfs/dbraw/zinc/56/83/58/371568358.db2.gz BJBKWZVKHCHQCR-UHFFFAOYSA-N 0 3 207.704 3.148 20 0 BGADHN CCCCc1ccc([C@@H](C)N[C@@H]2CCOC2)cc1 ZINC000131199279 325125562 /nfs/dbraw/zinc/12/55/62/325125562.db2.gz TYWSYWRLRYASKR-CZUORRHYSA-N 0 3 247.382 3.469 20 0 BGADHN CCCCc1ccc([C@H](C)N[C@@H]2CCOC2)cc1 ZINC000131199508 325125173 /nfs/dbraw/zinc/12/51/73/325125173.db2.gz TYWSYWRLRYASKR-XJKSGUPXSA-N 0 3 247.382 3.469 20 0 BGADHN CCCCc1ccc([C@@H](C)N[C@H]2CCOC2)cc1 ZINC000131199714 325125059 /nfs/dbraw/zinc/12/50/59/325125059.db2.gz TYWSYWRLRYASKR-CJNGLKHVSA-N 0 3 247.382 3.469 20 0 BGADHN CCCCc1ccc([C@H](C)N[C@H]2CCOC2)cc1 ZINC000131199912 325125416 /nfs/dbraw/zinc/12/54/16/325125416.db2.gz TYWSYWRLRYASKR-BBRMVZONSA-N 0 3 247.382 3.469 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CNC2CC=CC2)o1 ZINC000131202435 490624414 /nfs/dbraw/zinc/62/44/14/490624414.db2.gz YRWCQMAJKJABEO-MFKMUULPSA-N 0 3 217.312 3.211 20 0 BGADHN C[C@H]1C[C@@H]1c1ccc(CNC2CC=CC2)o1 ZINC000131202656 490623756 /nfs/dbraw/zinc/62/37/56/490623756.db2.gz YRWCQMAJKJABEO-GWCFXTLKSA-N 0 3 217.312 3.211 20 0 BGADHN C[C@@H]1C[C@H]1c1ccc(CNC2CC=CC2)o1 ZINC000131202881 490624685 /nfs/dbraw/zinc/62/46/85/490624685.db2.gz YRWCQMAJKJABEO-ZWNOBZJWSA-N 0 3 217.312 3.211 20 0 BGADHN C[C@H]1C[C@H]1c1ccc(CNC2CC=CC2)o1 ZINC000131203096 490624552 /nfs/dbraw/zinc/62/45/52/490624552.db2.gz YRWCQMAJKJABEO-GXFFZTMASA-N 0 3 217.312 3.211 20 0 BGADHN Cc1c2ccccc2oc1[C@@H](C)N[C@@H]1CCOC1 ZINC000131233818 358665744 /nfs/dbraw/zinc/66/57/44/358665744.db2.gz VSVCDALSVKTWAV-VXGBXAGGSA-N 0 3 245.322 3.181 20 0 BGADHN Cc1c2ccccc2oc1[C@H](C)N[C@@H]1CCOC1 ZINC000131234005 358665655 /nfs/dbraw/zinc/66/56/55/358665655.db2.gz VSVCDALSVKTWAV-NWDGAFQWSA-N 0 3 245.322 3.181 20 0 BGADHN Cc1c2ccccc2oc1[C@@H](C)N[C@H]1CCOC1 ZINC000131234237 358665789 /nfs/dbraw/zinc/66/57/89/358665789.db2.gz VSVCDALSVKTWAV-NEPJUHHUSA-N 0 3 245.322 3.181 20 0 BGADHN Cc1c2ccccc2oc1[C@H](C)N[C@H]1CCOC1 ZINC000131234446 358666291 /nfs/dbraw/zinc/66/62/91/358666291.db2.gz VSVCDALSVKTWAV-RYUDHWBXSA-N 0 3 245.322 3.181 20 0 BGADHN CCc1ccc(CNCCC(C)(C)C)o1 ZINC000131249433 325129745 /nfs/dbraw/zinc/12/97/45/325129745.db2.gz IJTKOHQQTCULJR-UHFFFAOYSA-N 0 3 209.333 3.368 20 0 BGADHN Clc1cccc2c1CC[C@@H]2N1CCCC1 ZINC000131250339 325129458 /nfs/dbraw/zinc/12/94/58/325129458.db2.gz BQPYNKLZVRASQI-ZDUSSCGKSA-N 0 3 221.731 3.423 20 0 BGADHN Clc1cccc2c1CC[C@H]2N1CCCC1 ZINC000131250543 325130674 /nfs/dbraw/zinc/13/06/74/325130674.db2.gz BQPYNKLZVRASQI-CYBMUJFWSA-N 0 3 221.731 3.423 20 0 BGADHN CCc1ccc(CNCC(CC)CC)o1 ZINC000131254398 325130220 /nfs/dbraw/zinc/13/02/20/325130220.db2.gz WDSLTIHVRLQVJN-UHFFFAOYSA-N 0 3 209.333 3.368 20 0 BGADHN CCc1ccc(CNCC2CCSCC2)o1 ZINC000131257154 171804828 /nfs/dbraw/zinc/80/48/28/171804828.db2.gz WYLISUSMBILUIU-UHFFFAOYSA-N 0 3 239.384 3.075 20 0 BGADHN CCc1ccc(CNCCCCSC)o1 ZINC000131261763 325132000 /nfs/dbraw/zinc/13/20/00/325132000.db2.gz VCMVGEKLQVSVDC-UHFFFAOYSA-N 0 3 227.373 3.075 20 0 BGADHN CCc1ccc(CNCCCC2CC2)o1 ZINC000131262207 385077643 /nfs/dbraw/zinc/07/76/43/385077643.db2.gz KHMCBOQIWJZBLH-UHFFFAOYSA-N 0 3 207.317 3.122 20 0 BGADHN C[C@H](NCC1(C2CC2)CCC1)c1cscn1 ZINC000131262422 325131931 /nfs/dbraw/zinc/13/19/31/325131931.db2.gz BPBMBLJTKRJORD-JTQLQIEISA-N 0 3 236.384 3.374 20 0 BGADHN C[C@@H](NCC1(C2CC2)CCC1)c1cscn1 ZINC000131262644 325132074 /nfs/dbraw/zinc/13/20/74/325132074.db2.gz BPBMBLJTKRJORD-SNVBAGLBSA-N 0 3 236.384 3.374 20 0 BGADHN CCc1ccc(CN[C@@H](C)CCSC)o1 ZINC000131263684 591580324 /nfs/dbraw/zinc/58/03/24/591580324.db2.gz ZDBOXRVURURXOL-JTQLQIEISA-N 0 3 227.373 3.073 20 0 BGADHN CCc1ccc(CN[C@H](C)CCSC)o1 ZINC000131263885 591575566 /nfs/dbraw/zinc/57/55/66/591575566.db2.gz ZDBOXRVURURXOL-SNVBAGLBSA-N 0 3 227.373 3.073 20 0 BGADHN CCSCC[C@H](C)NCc1ccc(CC)o1 ZINC000131271720 325133571 /nfs/dbraw/zinc/13/35/71/325133571.db2.gz STSLJUGLVNSMMC-NSHDSACASA-N 0 3 241.400 3.463 20 0 BGADHN CCSCC[C@@H](C)NCc1ccc(CC)o1 ZINC000131271912 325133744 /nfs/dbraw/zinc/13/37/44/325133744.db2.gz STSLJUGLVNSMMC-LLVKDONJSA-N 0 3 241.400 3.463 20 0 BGADHN CCc1ccc(CNCC(C)(C)SC)o1 ZINC000131273199 171804476 /nfs/dbraw/zinc/80/44/76/171804476.db2.gz MMXIKLXADUGRGE-UHFFFAOYSA-N 0 3 227.373 3.073 20 0 BGADHN CCc1ccc(CNC2(CC)CCC2)o1 ZINC000131274120 325133222 /nfs/dbraw/zinc/13/32/22/325133222.db2.gz QIBRDLPMJGJNTL-UHFFFAOYSA-N 0 3 207.317 3.264 20 0 BGADHN Cc1occc1SCCN1CCCCC1 ZINC000131287600 358668055 /nfs/dbraw/zinc/66/80/55/358668055.db2.gz YSBGSHASROXVEV-UHFFFAOYSA-N 0 3 225.357 3.166 20 0 BGADHN CS[C@@H](C)CN[C@@H](C)c1ccc(Cl)nc1 ZINC000131291906 386199556 /nfs/dbraw/zinc/19/95/56/386199556.db2.gz HBUWRMIWXOSEIS-IUCAKERBSA-N 0 3 244.791 3.137 20 0 BGADHN CS[C@H](C)CN[C@@H](C)c1ccc(Cl)nc1 ZINC000131292090 385082223 /nfs/dbraw/zinc/08/22/23/385082223.db2.gz HBUWRMIWXOSEIS-BDAKNGLRSA-N 0 3 244.791 3.137 20 0 BGADHN CS[C@@H](C)CN[C@H](C)c1ccc(Cl)nc1 ZINC000131292321 385083452 /nfs/dbraw/zinc/08/34/52/385083452.db2.gz HBUWRMIWXOSEIS-DTWKUNHWSA-N 0 3 244.791 3.137 20 0 BGADHN CS[C@H](C)CN[C@H](C)c1ccc(Cl)nc1 ZINC000131292533 385081913 /nfs/dbraw/zinc/08/19/13/385081913.db2.gz HBUWRMIWXOSEIS-RKDXNWHRSA-N 0 3 244.791 3.137 20 0 BGADHN CC1CCN(CCCCC(F)(F)F)CC1 ZINC000131293557 325134746 /nfs/dbraw/zinc/13/47/46/325134746.db2.gz KOLVVQPPVITFPW-UHFFFAOYSA-N 0 3 223.282 3.451 20 0 BGADHN CCc1ccc(CNCCC2CCC2)o1 ZINC000131319655 591590235 /nfs/dbraw/zinc/59/02/35/591590235.db2.gz RYDCWNXHOKBPOP-UHFFFAOYSA-N 0 3 207.317 3.122 20 0 BGADHN CC(C)[C@H](O)CN[C@@H](C)c1cc2ccccc2o1 ZINC000131343898 191099729 /nfs/dbraw/zinc/09/97/29/191099729.db2.gz YJNSSBQPPODEHL-WCQYABFASA-N 0 3 247.338 3.100 20 0 BGADHN CC(C)[C@@H](O)CN[C@@H](C)c1cc2ccccc2o1 ZINC000131344127 398340639 /nfs/dbraw/zinc/34/06/39/398340639.db2.gz YJNSSBQPPODEHL-AAEUAGOBSA-N 0 3 247.338 3.100 20 0 BGADHN CC(C)[C@H](O)CN[C@H](C)c1cc2ccccc2o1 ZINC000131344299 398340670 /nfs/dbraw/zinc/34/06/70/398340670.db2.gz YJNSSBQPPODEHL-DGCLKSJQSA-N 0 3 247.338 3.100 20 0 BGADHN CC(C)[C@@H](O)CN[C@H](C)c1cc2ccccc2o1 ZINC000131344507 398340705 /nfs/dbraw/zinc/34/07/05/398340705.db2.gz YJNSSBQPPODEHL-YPMHNXCESA-N 0 3 247.338 3.100 20 0 BGADHN CCSCC[C@@H](C)NCc1ccc(C)cn1 ZINC000131371828 191013442 /nfs/dbraw/zinc/01/34/42/191013442.db2.gz ZGPFSPSMABXUJG-GFCCVEGCSA-N 0 3 238.400 3.011 20 0 BGADHN CCSCC[C@H](C)NCc1ccc(C)cn1 ZINC000131372048 191013803 /nfs/dbraw/zinc/01/38/03/191013803.db2.gz ZGPFSPSMABXUJG-LBPRGKRZSA-N 0 3 238.400 3.011 20 0 BGADHN CCC[C@@H]1CCCN(C/C=C/Cl)C1 ZINC000131398934 591606878 /nfs/dbraw/zinc/60/68/78/591606878.db2.gz YSYLLYBZRWDADP-TZOMUSMUSA-N 0 3 201.741 3.251 20 0 BGADHN CCC[C@H]1CCCN(C/C=C/Cl)C1 ZINC000131399153 591607170 /nfs/dbraw/zinc/60/71/70/591607170.db2.gz YSYLLYBZRWDADP-ZPMKCOPCSA-N 0 3 201.741 3.251 20 0 BGADHN C[C@@H]1CN(Cc2cccc3[nH]ccc32)CCS1 ZINC000131424573 176305744 /nfs/dbraw/zinc/30/57/44/176305744.db2.gz UNDNNDQKZUYPCD-LLVKDONJSA-N 0 3 246.379 3.105 20 0 BGADHN CCC[C@@H]1CCCN(Cc2cnn(CCC)c2)C1 ZINC000131455856 358676884 /nfs/dbraw/zinc/67/68/84/358676884.db2.gz KUDGFIZESJXGSL-CQSZACIVSA-N 0 3 249.402 3.305 20 0 BGADHN CCC[C@H]1CCCN(Cc2cnn(CCC)c2)C1 ZINC000131456050 358677223 /nfs/dbraw/zinc/67/72/23/358677223.db2.gz KUDGFIZESJXGSL-AWEZNQCLSA-N 0 3 249.402 3.305 20 0 BGADHN CO[C@@H](CN[C@@H](C)c1ccco1)c1ccccc1 ZINC000131483263 383825529 /nfs/dbraw/zinc/82/55/29/383825529.db2.gz HNRFQTASWGILLD-WFASDCNBSA-N 0 3 245.322 3.318 20 0 BGADHN CO[C@@H](CN[C@H](C)c1ccco1)c1ccccc1 ZINC000131483459 383824504 /nfs/dbraw/zinc/82/45/04/383824504.db2.gz HNRFQTASWGILLD-DOMZBBRYSA-N 0 3 245.322 3.318 20 0 BGADHN CO[C@H](CN[C@@H](C)c1ccco1)c1ccccc1 ZINC000131483639 383826160 /nfs/dbraw/zinc/82/61/60/383826160.db2.gz HNRFQTASWGILLD-SWLSCSKDSA-N 0 3 245.322 3.318 20 0 BGADHN CO[C@H](CN[C@H](C)c1ccco1)c1ccccc1 ZINC000131483865 174869794 /nfs/dbraw/zinc/86/97/94/174869794.db2.gz HNRFQTASWGILLD-IUODEOHRSA-N 0 3 245.322 3.318 20 0 BGADHN CC(C)CSCCN[C@@H](C)c1ccccn1 ZINC000131532432 188331427 /nfs/dbraw/zinc/33/14/27/188331427.db2.gz DAASHDATZIUPCN-LBPRGKRZSA-N 0 3 238.400 3.121 20 0 BGADHN CC(C)CSCCN[C@H](C)c1ccccn1 ZINC000131532622 385341929 /nfs/dbraw/zinc/34/19/29/385341929.db2.gz DAASHDATZIUPCN-GFCCVEGCSA-N 0 3 238.400 3.121 20 0 BGADHN CC(C)CSCCN[C@@H](C)c1ccoc1 ZINC000131535989 325161922 /nfs/dbraw/zinc/16/19/22/325161922.db2.gz MDYXVACSMKJTTO-NSHDSACASA-N 0 3 227.373 3.319 20 0 BGADHN CC(C)CSCCN[C@H](C)c1ccoc1 ZINC000131536188 325161878 /nfs/dbraw/zinc/16/18/78/325161878.db2.gz MDYXVACSMKJTTO-LLVKDONJSA-N 0 3 227.373 3.319 20 0 BGADHN CC[C@@H]1CCCCN1Cc1ccc(OC)c(O)c1 ZINC000131538367 358680583 /nfs/dbraw/zinc/68/05/83/358680583.db2.gz BTPDHUJPOQBTNV-CYBMUJFWSA-N 0 3 249.354 3.165 20 0 BGADHN CC[C@H]1CCCCN1Cc1ccc(OC)c(O)c1 ZINC000131538597 358680450 /nfs/dbraw/zinc/68/04/50/358680450.db2.gz BTPDHUJPOQBTNV-ZDUSSCGKSA-N 0 3 249.354 3.165 20 0 BGADHN CC(C)CSCCN[C@@H](C)c1cncs1 ZINC000131545681 383833746 /nfs/dbraw/zinc/83/37/46/383833746.db2.gz IXSZATFZLJXPBD-JTQLQIEISA-N 0 3 244.429 3.183 20 0 BGADHN CC(C)CSCCN[C@H](C)c1cncs1 ZINC000131545858 383834364 /nfs/dbraw/zinc/83/43/64/383834364.db2.gz IXSZATFZLJXPBD-SNVBAGLBSA-N 0 3 244.429 3.183 20 0 BGADHN CC[C@@H]1CCC[C@@H]1NCc1nc(C)sc1C ZINC000131570984 358682401 /nfs/dbraw/zinc/68/24/01/358682401.db2.gz BRSZUMWBKDCZGM-NEPJUHHUSA-N 0 3 238.400 3.428 20 0 BGADHN CC[C@H]1CCC[C@@H]1NCc1nc(C)sc1C ZINC000131571164 358682485 /nfs/dbraw/zinc/68/24/85/358682485.db2.gz BRSZUMWBKDCZGM-RYUDHWBXSA-N 0 3 238.400 3.428 20 0 BGADHN CC[C@@H]1CCC[C@H]1NCc1nc(C)sc1C ZINC000131571374 358682359 /nfs/dbraw/zinc/68/23/59/358682359.db2.gz BRSZUMWBKDCZGM-VXGBXAGGSA-N 0 3 238.400 3.428 20 0 BGADHN CC[C@H]1CCC[C@H]1NCc1nc(C)sc1C ZINC000131571567 358682747 /nfs/dbraw/zinc/68/27/47/358682747.db2.gz BRSZUMWBKDCZGM-NWDGAFQWSA-N 0 3 238.400 3.428 20 0 BGADHN COc1ccc(OC)c(CN2CCCC[C@H]2C)c1 ZINC000131588431 325166767 /nfs/dbraw/zinc/16/67/67/325166767.db2.gz ALIUVKUPVNJXKL-GFCCVEGCSA-N 0 3 249.354 3.078 20 0 BGADHN COc1ccc(OC)c(CN2CCCC[C@@H]2C)c1 ZINC000131588666 325166525 /nfs/dbraw/zinc/16/65/25/325166525.db2.gz ALIUVKUPVNJXKL-LBPRGKRZSA-N 0 3 249.354 3.078 20 0 BGADHN Cl/C=C/CN1CCC2(C1)CCCCC2 ZINC000131613501 591629802 /nfs/dbraw/zinc/62/98/02/591629802.db2.gz TVVVQNJLIVECJR-XBXARRHUSA-N 0 3 213.752 3.395 20 0 BGADHN FC(F)(F)CCCCN1CCCCC1 ZINC000131622301 325171017 /nfs/dbraw/zinc/17/10/17/325171017.db2.gz UKUDVWKHMGCCLW-UHFFFAOYSA-N 0 3 209.255 3.205 20 0 BGADHN C[C@H](N[C@@H]1CCSC1)c1cccc(F)c1F ZINC000131705796 385355381 /nfs/dbraw/zinc/35/53/81/385355381.db2.gz KKBVYYXSUSFBOW-DTWKUNHWSA-N 0 3 243.322 3.121 20 0 BGADHN C[C@@H](N[C@@H]1CCSC1)c1cccc(F)c1F ZINC000131705978 385355425 /nfs/dbraw/zinc/35/54/25/385355425.db2.gz KKBVYYXSUSFBOW-RKDXNWHRSA-N 0 3 243.322 3.121 20 0 BGADHN C[C@H](N[C@H]1CCSC1)c1cccc(F)c1F ZINC000131706194 385356092 /nfs/dbraw/zinc/35/60/92/385356092.db2.gz KKBVYYXSUSFBOW-IUCAKERBSA-N 0 3 243.322 3.121 20 0 BGADHN C[C@@H](N[C@H]1CCSC1)c1cccc(F)c1F ZINC000131706401 385355323 /nfs/dbraw/zinc/35/53/23/385355323.db2.gz KKBVYYXSUSFBOW-BDAKNGLRSA-N 0 3 243.322 3.121 20 0 BGADHN C[C@H](O)CN[C@@H](C)c1cc(Cl)cc(Cl)c1 ZINC000131736127 383848660 /nfs/dbraw/zinc/84/86/60/383848660.db2.gz ONXIBSAJQUYCTR-YUMQZZPRSA-N 0 3 248.153 3.025 20 0 BGADHN C[C@@H](NC[C@H](C)O)c1cc(Cl)cc(Cl)c1 ZINC000131736309 383848365 /nfs/dbraw/zinc/84/83/65/383848365.db2.gz ONXIBSAJQUYCTR-JGVFFNPUSA-N 0 3 248.153 3.025 20 0 BGADHN C[C@H](O)CN[C@@H](C)c1cccc(Cl)c1Cl ZINC000131744313 383847952 /nfs/dbraw/zinc/84/79/52/383847952.db2.gz GIVFVVAAPWBXOF-YUMQZZPRSA-N 0 3 248.153 3.025 20 0 BGADHN C[C@@H](NC[C@H](C)O)c1cccc(Cl)c1Cl ZINC000131744505 383848167 /nfs/dbraw/zinc/84/81/67/383848167.db2.gz GIVFVVAAPWBXOF-JGVFFNPUSA-N 0 3 248.153 3.025 20 0 BGADHN CCn1nccc1CN1CCC2(CCCC2)CC1 ZINC000131746803 358692104 /nfs/dbraw/zinc/69/21/04/358692104.db2.gz ICDMXMQRFYTCMW-UHFFFAOYSA-N 0 3 247.386 3.059 20 0 BGADHN Cc1n[nH]c(C)c1CN1CCC2(CCCC2)CC1 ZINC000131747523 358692148 /nfs/dbraw/zinc/69/21/48/358692148.db2.gz QOKSYTHTOVTHKX-UHFFFAOYSA-N 0 3 247.386 3.183 20 0 BGADHN CC[N@@H+](Cc1nc(C)ccc1[O-])C1CCCCC1 ZINC000131764876 358692337 /nfs/dbraw/zinc/69/23/37/358692337.db2.gz JTEYHVIAOWQHRI-UHFFFAOYSA-N 0 3 248.370 3.250 20 0 BGADHN CC[N@H+](Cc1nc(C)ccc1[O-])C1CCCCC1 ZINC000131764876 358692333 /nfs/dbraw/zinc/69/23/33/358692333.db2.gz JTEYHVIAOWQHRI-UHFFFAOYSA-N 0 3 248.370 3.250 20 0 BGADHN Cc1ccc(CN(C)CCc2ccccc2F)o1 ZINC000131793625 358692630 /nfs/dbraw/zinc/69/26/30/358692630.db2.gz ZJKRZFWZJNKILF-UHFFFAOYSA-N 0 3 247.313 3.402 20 0 BGADHN CCn1nccc1CN1CCC[C@H](CC(C)C)C1 ZINC000131795855 358692731 /nfs/dbraw/zinc/69/27/31/358692731.db2.gz VSXXWUYJDIKLFC-CQSZACIVSA-N 0 3 249.402 3.161 20 0 BGADHN CCn1nccc1CN1CCC[C@@H](CC(C)C)C1 ZINC000131796075 358692426 /nfs/dbraw/zinc/69/24/26/358692426.db2.gz VSXXWUYJDIKLFC-AWEZNQCLSA-N 0 3 249.402 3.161 20 0 BGADHN C[C@@H](CO)[C@@H](C)N[C@@H](C)c1cc2ccccc2o1 ZINC000131801720 385360812 /nfs/dbraw/zinc/36/08/12/385360812.db2.gz BBRXMLLZMATMLR-TUAOUCFPSA-N 0 3 247.338 3.100 20 0 BGADHN C[C@@H](N[C@@H](C)c1cc2ccccc2o1)[C@H](C)CO ZINC000131801924 385360632 /nfs/dbraw/zinc/36/06/32/385360632.db2.gz BBRXMLLZMATMLR-UTUOFQBUSA-N 0 3 247.338 3.100 20 0 BGADHN C[C@@H](CO)[C@H](C)N[C@@H](C)c1cc2ccccc2o1 ZINC000131802124 385361182 /nfs/dbraw/zinc/36/11/82/385361182.db2.gz BBRXMLLZMATMLR-SRVKXCTJSA-N 0 3 247.338 3.100 20 0 BGADHN C[C@H](N[C@@H](C)[C@H](C)CO)c1cc2ccccc2o1 ZINC000131802284 385361911 /nfs/dbraw/zinc/36/19/11/385361911.db2.gz BBRXMLLZMATMLR-WOPDTQHZSA-N 0 3 247.338 3.100 20 0 BGADHN C[C@@H](CC(F)(F)F)NCc1ccc(F)cc1 ZINC000131820775 383862277 /nfs/dbraw/zinc/86/22/77/383862277.db2.gz PXGKUEOYCSQDPV-QMMMGPOBSA-N 0 3 235.224 3.256 20 0 BGADHN C[C@H](CC(F)(F)F)NCc1ccc(F)cc1 ZINC000131820977 383869418 /nfs/dbraw/zinc/86/94/18/383869418.db2.gz PXGKUEOYCSQDPV-MRVPVSSYSA-N 0 3 235.224 3.256 20 0 BGADHN C[C@@H](O)CN[C@@H](C)c1cc(Cl)cc(Cl)c1 ZINC000131828904 383869584 /nfs/dbraw/zinc/86/95/84/383869584.db2.gz ONXIBSAJQUYCTR-SFYZADRCSA-N 0 3 248.153 3.025 20 0 BGADHN C[C@@H](O)CN[C@H](C)c1cc(Cl)cc(Cl)c1 ZINC000131829097 383869633 /nfs/dbraw/zinc/86/96/33/383869633.db2.gz ONXIBSAJQUYCTR-HTQZYQBOSA-N 0 3 248.153 3.025 20 0 BGADHN C[C@@H](O)CN[C@@H](C)c1cccc(Cl)c1Cl ZINC000131836198 383871349 /nfs/dbraw/zinc/87/13/49/383871349.db2.gz GIVFVVAAPWBXOF-SFYZADRCSA-N 0 3 248.153 3.025 20 0 BGADHN C[C@@H](O)CN[C@H](C)c1cccc(Cl)c1Cl ZINC000131836423 383869272 /nfs/dbraw/zinc/86/92/72/383869272.db2.gz GIVFVVAAPWBXOF-HTQZYQBOSA-N 0 3 248.153 3.025 20 0 BGADHN CO[C@H](C)[C@H](C)N[C@@H](C)c1ccccc1Cl ZINC000131839863 385365032 /nfs/dbraw/zinc/36/50/32/385365032.db2.gz GIUIOUAVLNZLDZ-GARJFASQSA-N 0 3 241.762 3.414 20 0 BGADHN CO[C@H](C)[C@H](C)N[C@H](C)c1ccccc1Cl ZINC000131840053 385365583 /nfs/dbraw/zinc/36/55/83/385365583.db2.gz GIUIOUAVLNZLDZ-HBNTYKKESA-N 0 3 241.762 3.414 20 0 BGADHN CO[C@H](C)[C@@H](C)N[C@@H](C)c1ccccc1Cl ZINC000131840299 385365562 /nfs/dbraw/zinc/36/55/62/385365562.db2.gz GIUIOUAVLNZLDZ-OUAUKWLOSA-N 0 3 241.762 3.414 20 0 BGADHN CO[C@H](C)[C@@H](C)N[C@H](C)c1ccccc1Cl ZINC000131840500 385365266 /nfs/dbraw/zinc/36/52/66/385365266.db2.gz GIUIOUAVLNZLDZ-GMTAPVOTSA-N 0 3 241.762 3.414 20 0 BGADHN CCOc1cc(CN2CCC(C)CC2)ccc1O ZINC000131856455 385365653 /nfs/dbraw/zinc/36/56/53/385365653.db2.gz OOPRUNKQDHSXAK-UHFFFAOYSA-N 0 3 249.354 3.023 20 0 BGADHN CCCCOCCCN[C@@H](C)c1cncs1 ZINC000131869166 385364224 /nfs/dbraw/zinc/36/42/24/385364224.db2.gz YVZYQBKKPPQKQE-NSHDSACASA-N 0 3 242.388 3.001 20 0 BGADHN CCCCOCCCN[C@H](C)c1cncs1 ZINC000131869341 385365962 /nfs/dbraw/zinc/36/59/62/385365962.db2.gz YVZYQBKKPPQKQE-LLVKDONJSA-N 0 3 242.388 3.001 20 0 BGADHN CCCCOCCCN[C@@H](C)c1ccco1 ZINC000131876226 385365898 /nfs/dbraw/zinc/36/58/98/385365898.db2.gz DSRGYKMLCBMTDY-LBPRGKRZSA-N 0 3 225.332 3.137 20 0 BGADHN CCCCOCCCN[C@H](C)c1ccco1 ZINC000131876413 168895150 /nfs/dbraw/zinc/89/51/50/168895150.db2.gz DSRGYKMLCBMTDY-GFCCVEGCSA-N 0 3 225.332 3.137 20 0 BGADHN CCCCOCCCN[C@@H](C)c1ccoc1 ZINC000131879577 325189273 /nfs/dbraw/zinc/18/92/73/325189273.db2.gz NUNWFODFUQXFHY-LBPRGKRZSA-N 0 3 225.332 3.137 20 0 BGADHN CCCCOCCCN[C@H](C)c1ccoc1 ZINC000131879791 325189255 /nfs/dbraw/zinc/18/92/55/325189255.db2.gz NUNWFODFUQXFHY-GFCCVEGCSA-N 0 3 225.332 3.137 20 0 BGADHN CC[C@H](N[C@@H](C)COC)c1cc(F)ccc1F ZINC000131891849 385368304 /nfs/dbraw/zinc/36/83/04/385368304.db2.gz MOPCOXHUUFRTGI-ZANVPECISA-N 0 3 243.297 3.040 20 0 BGADHN CC[C@@H](N[C@@H](C)COC)c1cc(F)ccc1F ZINC000131892076 345311019 /nfs/dbraw/zinc/31/10/19/345311019.db2.gz MOPCOXHUUFRTGI-TVQRCGJNSA-N 0 3 243.297 3.040 20 0 BGADHN CC[C@H](N[C@H](C)COC)c1cc(F)ccc1F ZINC000131892263 385367480 /nfs/dbraw/zinc/36/74/80/385367480.db2.gz MOPCOXHUUFRTGI-RNCFNFMXSA-N 0 3 243.297 3.040 20 0 BGADHN CC[C@@H](N[C@H](C)COC)c1cc(F)ccc1F ZINC000131892475 345311232 /nfs/dbraw/zinc/31/12/32/345311232.db2.gz MOPCOXHUUFRTGI-NOZJJQNGSA-N 0 3 243.297 3.040 20 0 BGADHN COc1ccccc1CN(C)CCC(C)C ZINC000131903321 491132233 /nfs/dbraw/zinc/13/22/33/491132233.db2.gz ZYXGXVCUPYUDHX-UHFFFAOYSA-N 0 3 221.344 3.173 20 0 BGADHN Cc1ccoc1CNCCc1sccc1C ZINC000131914433 358700349 /nfs/dbraw/zinc/70/03/49/358700349.db2.gz OWTGZCONSJNCDC-UHFFFAOYSA-N 0 3 235.352 3.290 20 0 BGADHN Cc1ccc2oc(CN[C@@H]3CCO[C@@H]3C)cc2c1 ZINC000131916834 342834583 /nfs/dbraw/zinc/83/45/83/342834583.db2.gz DYPOVSPHYYIOAF-BXUZGUMPSA-N 0 3 245.322 3.008 20 0 BGADHN Cc1ccc2oc(CN[C@H]3CCO[C@@H]3C)cc2c1 ZINC000131917064 342834554 /nfs/dbraw/zinc/83/45/54/342834554.db2.gz DYPOVSPHYYIOAF-RISCZKNCSA-N 0 3 245.322 3.008 20 0 BGADHN Cc1ccc2oc(CN[C@@H]3CCO[C@H]3C)cc2c1 ZINC000131917279 342834606 /nfs/dbraw/zinc/83/46/06/342834606.db2.gz DYPOVSPHYYIOAF-SMDDNHRTSA-N 0 3 245.322 3.008 20 0 BGADHN Cc1ccc2oc(CN[C@H]3CCO[C@H]3C)cc2c1 ZINC000131917453 342834530 /nfs/dbraw/zinc/83/45/30/342834530.db2.gz DYPOVSPHYYIOAF-FZMZJTMJSA-N 0 3 245.322 3.008 20 0 BGADHN Cc1ccc(CNCCc2sccc2C)o1 ZINC000131918614 358701248 /nfs/dbraw/zinc/70/12/48/358701248.db2.gz QIVRZVVNCDREPJ-UHFFFAOYSA-N 0 3 235.352 3.290 20 0 BGADHN CC[C@@H](C)CN(CC)Cc1nc2ccccc2[nH]1 ZINC000131921495 358701598 /nfs/dbraw/zinc/70/15/98/358701598.db2.gz DZZWBPIVOOCILB-GFCCVEGCSA-N 0 3 245.370 3.431 20 0 BGADHN CC[C@H](C)CN(CC)Cc1nc2ccccc2[nH]1 ZINC000131921694 358701392 /nfs/dbraw/zinc/70/13/92/358701392.db2.gz DZZWBPIVOOCILB-LBPRGKRZSA-N 0 3 245.370 3.431 20 0 BGADHN CC[C@@H](CCO)N[C@@H](C)c1cc2ccccc2o1 ZINC000131924255 191018189 /nfs/dbraw/zinc/01/81/89/191018189.db2.gz VODPOYDRDPNAME-AAEUAGOBSA-N 0 3 247.338 3.244 20 0 BGADHN CC[C@H](CCO)N[C@@H](C)c1cc2ccccc2o1 ZINC000131924469 191018444 /nfs/dbraw/zinc/01/84/44/191018444.db2.gz VODPOYDRDPNAME-WCQYABFASA-N 0 3 247.338 3.244 20 0 BGADHN CC[C@@H](CCO)N[C@H](C)c1cc2ccccc2o1 ZINC000131924682 191018870 /nfs/dbraw/zinc/01/88/70/191018870.db2.gz VODPOYDRDPNAME-YPMHNXCESA-N 0 3 247.338 3.244 20 0 BGADHN CC[C@H](CCO)N[C@H](C)c1cc2ccccc2o1 ZINC000131924879 191018684 /nfs/dbraw/zinc/01/86/84/191018684.db2.gz VODPOYDRDPNAME-DGCLKSJQSA-N 0 3 247.338 3.244 20 0 BGADHN CCOc1cc(CN2CCC[C@H](C)C2)ccc1O ZINC000131927757 385370406 /nfs/dbraw/zinc/37/04/06/385370406.db2.gz UYGKFPKJVZGCDL-LBPRGKRZSA-N 0 3 249.354 3.023 20 0 BGADHN CCOc1cc(CN2CCC[C@@H](C)C2)ccc1O ZINC000131927948 385370029 /nfs/dbraw/zinc/37/00/29/385370029.db2.gz UYGKFPKJVZGCDL-GFCCVEGCSA-N 0 3 249.354 3.023 20 0 BGADHN CCOc1cc(CN2CCCCCC2)ccc1O ZINC000131938497 170522460 /nfs/dbraw/zinc/52/24/60/170522460.db2.gz HQPVXRISIWUKTA-UHFFFAOYSA-N 0 3 249.354 3.167 20 0 BGADHN FCCCN1CCSC[C@H]1c1ccccc1 ZINC000131977275 385368969 /nfs/dbraw/zinc/36/89/69/385368969.db2.gz RUVUAZIWDKYWSE-ZDUSSCGKSA-N 0 3 239.359 3.136 20 0 BGADHN FCCCN1CCSC[C@@H]1c1ccccc1 ZINC000131977477 385369741 /nfs/dbraw/zinc/36/97/41/385369741.db2.gz RUVUAZIWDKYWSE-CYBMUJFWSA-N 0 3 239.359 3.136 20 0 BGADHN COc1ccc(CN2CCCCCCC2)cc1O ZINC000131979411 175098903 /nfs/dbraw/zinc/09/89/03/175098903.db2.gz BWNSWPLEJHXXOJ-UHFFFAOYSA-N 0 3 249.354 3.167 20 0 BGADHN CC[C@H](N[C@@H](C)COC)c1ccc(Cl)s1 ZINC000131982605 383928657 /nfs/dbraw/zinc/92/86/57/383928657.db2.gz DAWSEQFTQTWILE-IUCAKERBSA-N 0 3 247.791 3.477 20 0 BGADHN CC[C@@H](N[C@@H](C)COC)c1ccc(Cl)s1 ZINC000131982786 344243344 /nfs/dbraw/zinc/24/33/44/344243344.db2.gz DAWSEQFTQTWILE-DTWKUNHWSA-N 0 3 247.791 3.477 20 0 BGADHN CC[C@H](N[C@H](C)COC)c1ccc(Cl)s1 ZINC000131982985 383925753 /nfs/dbraw/zinc/92/57/53/383925753.db2.gz DAWSEQFTQTWILE-BDAKNGLRSA-N 0 3 247.791 3.477 20 0 BGADHN CC[C@@H](N[C@H](C)COC)c1ccc(Cl)s1 ZINC000131983169 344243492 /nfs/dbraw/zinc/24/34/92/344243492.db2.gz DAWSEQFTQTWILE-RKDXNWHRSA-N 0 3 247.791 3.477 20 0 BGADHN CCCCCCN[C@@H](C)c1cncs1 ZINC000131999413 383936407 /nfs/dbraw/zinc/93/64/07/383936407.db2.gz CQMZZBHGVIUTEJ-JTQLQIEISA-N 0 3 212.362 3.374 20 0 BGADHN CCCCCCN[C@H](C)c1cncs1 ZINC000131999614 383935614 /nfs/dbraw/zinc/93/56/14/383935614.db2.gz CQMZZBHGVIUTEJ-SNVBAGLBSA-N 0 3 212.362 3.374 20 0 BGADHN CCc1csc(C2C[C@H]3CC[C@@H](C2)N3C)n1 ZINC000132028222 411745101 /nfs/dbraw/zinc/74/51/01/411745101.db2.gz FPDUJWDEURIARA-CLYYMRHHSA-N 0 3 236.384 3.046 20 0 BGADHN Cc1oncc1CN[C@@H]1CCCCC1(C)C ZINC000132038431 325196121 /nfs/dbraw/zinc/19/61/21/325196121.db2.gz CKGLZQWOUUSJFX-GFCCVEGCSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1oncc1CN[C@H]1CCCCC1(C)C ZINC000132038610 325196332 /nfs/dbraw/zinc/19/63/32/325196332.db2.gz CKGLZQWOUUSJFX-LBPRGKRZSA-N 0 3 222.332 3.041 20 0 BGADHN CO[C@H](C)[C@H](C)N[C@@H](C)c1cccc(Cl)c1 ZINC000132039963 384211688 /nfs/dbraw/zinc/21/16/88/384211688.db2.gz RJPUEAQVWUJILM-GARJFASQSA-N 0 3 241.762 3.414 20 0 BGADHN CO[C@H](C)[C@H](C)N[C@H](C)c1cccc(Cl)c1 ZINC000132040194 384210381 /nfs/dbraw/zinc/21/03/81/384210381.db2.gz RJPUEAQVWUJILM-HBNTYKKESA-N 0 3 241.762 3.414 20 0 BGADHN CO[C@H](C)[C@@H](C)N[C@@H](C)c1cccc(Cl)c1 ZINC000132040410 384210423 /nfs/dbraw/zinc/21/04/23/384210423.db2.gz RJPUEAQVWUJILM-OUAUKWLOSA-N 0 3 241.762 3.414 20 0 BGADHN CO[C@H](C)[C@@H](C)N[C@H](C)c1cccc(Cl)c1 ZINC000132040581 384210108 /nfs/dbraw/zinc/21/01/08/384210108.db2.gz RJPUEAQVWUJILM-GMTAPVOTSA-N 0 3 241.762 3.414 20 0 BGADHN CO[C@H](C)[C@H](C)N[C@@H](C)c1ccc(Cl)cc1 ZINC000132045810 384209821 /nfs/dbraw/zinc/20/98/21/384209821.db2.gz CWZRSMFXJUFTTK-GARJFASQSA-N 0 3 241.762 3.414 20 0 BGADHN CO[C@H](C)[C@H](C)N[C@H](C)c1ccc(Cl)cc1 ZINC000132046026 384209518 /nfs/dbraw/zinc/20/95/18/384209518.db2.gz CWZRSMFXJUFTTK-HBNTYKKESA-N 0 3 241.762 3.414 20 0 BGADHN CC[C@@H](CSC)NCc1cc(C)ccc1F ZINC000132046093 358705464 /nfs/dbraw/zinc/70/54/64/358705464.db2.gz JDPVWIFYTXLPDE-LBPRGKRZSA-N 0 3 241.375 3.365 20 0 BGADHN CO[C@H](C)[C@@H](C)N[C@@H](C)c1ccc(Cl)cc1 ZINC000132046242 384209719 /nfs/dbraw/zinc/20/97/19/384209719.db2.gz CWZRSMFXJUFTTK-OUAUKWLOSA-N 0 3 241.762 3.414 20 0 BGADHN CC[C@H](CSC)NCc1cc(C)ccc1F ZINC000132046278 358705600 /nfs/dbraw/zinc/70/56/00/358705600.db2.gz JDPVWIFYTXLPDE-GFCCVEGCSA-N 0 3 241.375 3.365 20 0 BGADHN CO[C@H](C)[C@@H](C)N[C@H](C)c1ccc(Cl)cc1 ZINC000132046461 384212784 /nfs/dbraw/zinc/21/27/84/384212784.db2.gz CWZRSMFXJUFTTK-GMTAPVOTSA-N 0 3 241.762 3.414 20 0 BGADHN CN(Cc1cc2ccccc2s1)[C@@H]1CCOC1 ZINC000132056521 384212553 /nfs/dbraw/zinc/21/25/53/384212553.db2.gz SULVYOAEWVNHJL-GFCCVEGCSA-N 0 3 247.363 3.122 20 0 BGADHN CN(Cc1cc2ccccc2s1)[C@H]1CCOC1 ZINC000132056750 384213787 /nfs/dbraw/zinc/21/37/87/384213787.db2.gz SULVYOAEWVNHJL-LBPRGKRZSA-N 0 3 247.363 3.122 20 0 BGADHN C[C@H](NCCc1ccccc1)c1cncs1 ZINC000132066263 384212664 /nfs/dbraw/zinc/21/26/64/384212664.db2.gz NKOWOSXVTMVGJE-NSHDSACASA-N 0 3 232.352 3.036 20 0 BGADHN C[C@@H](NCCc1ccccc1)c1cncs1 ZINC000132066461 384212874 /nfs/dbraw/zinc/21/28/74/384212874.db2.gz NKOWOSXVTMVGJE-LLVKDONJSA-N 0 3 232.352 3.036 20 0 BGADHN CCCCCCN[C@@H](CC)c1nccn1C ZINC000132079624 591686585 /nfs/dbraw/zinc/68/65/85/591686585.db2.gz VTAHTUVJCINGOL-LBPRGKRZSA-N 0 3 223.364 3.041 20 0 BGADHN CCCCCCN[C@H](CC)c1nccn1C ZINC000132079818 591686197 /nfs/dbraw/zinc/68/61/97/591686197.db2.gz VTAHTUVJCINGOL-GFCCVEGCSA-N 0 3 223.364 3.041 20 0 BGADHN C[C@@H](CC1CCC1)NCc1ccccc1F ZINC000132081166 491134059 /nfs/dbraw/zinc/13/40/59/491134059.db2.gz XSCQWRMGMQKMBZ-NSHDSACASA-N 0 3 221.319 3.494 20 0 BGADHN C[C@H](CC1CCC1)NCc1ccccc1F ZINC000132081372 491134029 /nfs/dbraw/zinc/13/40/29/491134029.db2.gz XSCQWRMGMQKMBZ-LLVKDONJSA-N 0 3 221.319 3.494 20 0 BGADHN C[C@H](NCCCNc1ccccc1)c1ccco1 ZINC000132088083 384213138 /nfs/dbraw/zinc/21/31/38/384213138.db2.gz WUYQGTFTIKUWRD-ZDUSSCGKSA-N 0 3 244.338 3.432 20 0 BGADHN C[C@@H](NCCCNc1ccccc1)c1ccco1 ZINC000132088248 384214234 /nfs/dbraw/zinc/21/42/34/384214234.db2.gz WUYQGTFTIKUWRD-CYBMUJFWSA-N 0 3 244.338 3.432 20 0 BGADHN C[C@H](NCCc1cccs1)c1cncs1 ZINC000132114820 384090751 /nfs/dbraw/zinc/09/07/51/384090751.db2.gz TYYXKNQHPLYXMC-VIFPVBQESA-N 0 3 238.381 3.098 20 0 BGADHN C[C@@H](NCCc1cccs1)c1cncs1 ZINC000132115014 175884752 /nfs/dbraw/zinc/88/47/52/175884752.db2.gz TYYXKNQHPLYXMC-SECBINFHSA-N 0 3 238.381 3.098 20 0 BGADHN CCc1ccc(CNCCCC(F)(F)F)o1 ZINC000132134622 171804783 /nfs/dbraw/zinc/80/47/83/171804783.db2.gz PSSANDOTDVLIDP-UHFFFAOYSA-N 0 3 235.249 3.274 20 0 BGADHN Cc1cccc(C)c1CNCc1cccnc1C ZINC000132146632 491135005 /nfs/dbraw/zinc/13/50/05/491135005.db2.gz GUVGEWUAKIOPDW-UHFFFAOYSA-N 0 3 240.350 3.297 20 0 BGADHN CC[C@@H]1CCCN(Cc2ccc(OC)c(O)c2)C1 ZINC000132248308 345323712 /nfs/dbraw/zinc/32/37/12/345323712.db2.gz RGIKFODHZLCOSV-GFCCVEGCSA-N 0 3 249.354 3.023 20 0 BGADHN CC[C@H]1CCCN(Cc2ccc(OC)c(O)c2)C1 ZINC000132248524 384222723 /nfs/dbraw/zinc/22/27/23/384222723.db2.gz RGIKFODHZLCOSV-LBPRGKRZSA-N 0 3 249.354 3.023 20 0 BGADHN CC(C)CCCN[C@@H](C)c1cncs1 ZINC000132291988 384184578 /nfs/dbraw/zinc/18/45/78/384184578.db2.gz VVUDEBSHBZAEEU-JTQLQIEISA-N 0 3 212.362 3.230 20 0 BGADHN CC(C)CCCN[C@H](C)c1cncs1 ZINC000132292163 384184000 /nfs/dbraw/zinc/18/40/00/384184000.db2.gz VVUDEBSHBZAEEU-SNVBAGLBSA-N 0 3 212.362 3.230 20 0 BGADHN C[C@H](NCCc1ccsc1)c1cncs1 ZINC000132297955 384183767 /nfs/dbraw/zinc/18/37/67/384183767.db2.gz GFBLRFZHWQWHNF-VIFPVBQESA-N 0 3 238.381 3.098 20 0 BGADHN C[C@@H](NCCc1ccsc1)c1cncs1 ZINC000132298136 384183285 /nfs/dbraw/zinc/18/32/85/384183285.db2.gz GFBLRFZHWQWHNF-SECBINFHSA-N 0 3 238.381 3.098 20 0 BGADHN CCCC[C@@H](C)NCc1cn2ccsc2n1 ZINC000132302182 345326140 /nfs/dbraw/zinc/32/61/40/345326140.db2.gz BXYWNSVKSLNWKM-SNVBAGLBSA-N 0 3 237.372 3.064 20 0 BGADHN CCCC[C@H](C)NCc1cn2ccsc2n1 ZINC000132302405 345325907 /nfs/dbraw/zinc/32/59/07/345325907.db2.gz BXYWNSVKSLNWKM-JTQLQIEISA-N 0 3 237.372 3.064 20 0 BGADHN CO[C@H](C)[C@H](C)N[C@@H](C)c1ccc(Cl)s1 ZINC000132304773 344297726 /nfs/dbraw/zinc/29/77/26/344297726.db2.gz QEKHVHOBOQPBQG-XHNCKOQMSA-N 0 3 247.791 3.476 20 0 BGADHN CO[C@H](C)[C@H](C)N[C@H](C)c1ccc(Cl)s1 ZINC000132304968 344298036 /nfs/dbraw/zinc/29/80/36/344298036.db2.gz QEKHVHOBOQPBQG-DJLDLDEBSA-N 0 3 247.791 3.476 20 0 BGADHN CO[C@H](C)[C@@H](C)N[C@@H](C)c1ccc(Cl)s1 ZINC000132305188 344297720 /nfs/dbraw/zinc/29/77/20/344297720.db2.gz QEKHVHOBOQPBQG-HRDYMLBCSA-N 0 3 247.791 3.476 20 0 BGADHN CO[C@H](C)[C@@H](C)N[C@H](C)c1ccc(Cl)s1 ZINC000132305400 344298071 /nfs/dbraw/zinc/29/80/71/344298071.db2.gz QEKHVHOBOQPBQG-IWSPIJDZSA-N 0 3 247.791 3.476 20 0 BGADHN C[C@@H](Cc1ccco1)N[C@@H](C)c1cncs1 ZINC000132311406 591700522 /nfs/dbraw/zinc/70/05/22/591700522.db2.gz JMVHSTOHLMUSNM-UWVGGRQHSA-N 0 3 236.340 3.018 20 0 BGADHN C[C@H](Cc1ccco1)N[C@@H](C)c1cncs1 ZINC000132311578 591700477 /nfs/dbraw/zinc/70/04/77/591700477.db2.gz JMVHSTOHLMUSNM-ZJUUUORDSA-N 0 3 236.340 3.018 20 0 BGADHN C[C@@H](N[C@@H](C)Cc1ccco1)c1cncs1 ZINC000132311739 591700133 /nfs/dbraw/zinc/70/01/33/591700133.db2.gz JMVHSTOHLMUSNM-VHSXEESVSA-N 0 3 236.340 3.018 20 0 BGADHN C[C@H](Cc1ccco1)N[C@H](C)c1cncs1 ZINC000132311889 591700395 /nfs/dbraw/zinc/70/03/95/591700395.db2.gz JMVHSTOHLMUSNM-NXEZZACHSA-N 0 3 236.340 3.018 20 0 BGADHN Cc1csc(CN[C@@H](C)CC2CCC2)n1 ZINC000132320693 491135129 /nfs/dbraw/zinc/13/51/29/491135129.db2.gz NKPOSHJKRTYPQO-VIFPVBQESA-N 0 3 224.373 3.120 20 0 BGADHN Cc1csc(CN[C@H](C)CC2CCC2)n1 ZINC000132320905 491135137 /nfs/dbraw/zinc/13/51/37/491135137.db2.gz NKPOSHJKRTYPQO-SECBINFHSA-N 0 3 224.373 3.120 20 0 BGADHN C[C@H](NCCCC(F)(F)F)c1ccoc1 ZINC000132351051 344299148 /nfs/dbraw/zinc/29/91/48/344299148.db2.gz PSZGOWKRPOJFOJ-QMMMGPOBSA-N 0 3 221.222 3.273 20 0 BGADHN C[C@@H](NCCCC(F)(F)F)c1ccoc1 ZINC000132351245 343188100 /nfs/dbraw/zinc/18/81/00/343188100.db2.gz PSZGOWKRPOJFOJ-MRVPVSSYSA-N 0 3 221.222 3.273 20 0 BGADHN Cc1ccc([O-])c(C[N@H+](C)C2CCCCCC2)n1 ZINC000132353185 358719495 /nfs/dbraw/zinc/71/94/95/358719495.db2.gz FDOMNQWMAPMJNX-UHFFFAOYSA-N 0 3 248.370 3.250 20 0 BGADHN Cc1ccc([O-])c(C[N@@H+](C)C2CCCCCC2)n1 ZINC000132353185 358719490 /nfs/dbraw/zinc/71/94/90/358719490.db2.gz FDOMNQWMAPMJNX-UHFFFAOYSA-N 0 3 248.370 3.250 20 0 BGADHN COc1cccc(CN[C@H]2CC[C@@H](C)C2)c1F ZINC000132354821 591703509 /nfs/dbraw/zinc/70/35/09/591703509.db2.gz KCAOERYAMKLLJW-PWSUYJOCSA-N 0 3 237.318 3.113 20 0 BGADHN COc1cccc(CN[C@H]2CC[C@H](C)C2)c1F ZINC000132355012 591703754 /nfs/dbraw/zinc/70/37/54/591703754.db2.gz KCAOERYAMKLLJW-JQWIXIFHSA-N 0 3 237.318 3.113 20 0 BGADHN COc1cccc(CN[C@@H]2CC[C@@H](C)C2)c1F ZINC000132355219 591702936 /nfs/dbraw/zinc/70/29/36/591702936.db2.gz KCAOERYAMKLLJW-ZYHUDNBSSA-N 0 3 237.318 3.113 20 0 BGADHN COc1cccc(CN[C@@H]2CC[C@H](C)C2)c1F ZINC000132355418 591703636 /nfs/dbraw/zinc/70/36/36/591703636.db2.gz KCAOERYAMKLLJW-CMPLNLGQSA-N 0 3 237.318 3.113 20 0 BGADHN CC[C@@H](CSC)N[C@@H](C)c1cnc(C)s1 ZINC000132358428 344298038 /nfs/dbraw/zinc/29/80/38/344298038.db2.gz CWWPMHDGIWOSIO-WPRPVWTQSA-N 0 3 244.429 3.244 20 0 BGADHN CC[C@H](CSC)N[C@@H](C)c1cnc(C)s1 ZINC000132358651 344297845 /nfs/dbraw/zinc/29/78/45/344297845.db2.gz CWWPMHDGIWOSIO-WCBMZHEXSA-N 0 3 244.429 3.244 20 0 BGADHN CC[C@@H](CSC)N[C@H](C)c1cnc(C)s1 ZINC000132358853 371797326 /nfs/dbraw/zinc/79/73/26/371797326.db2.gz CWWPMHDGIWOSIO-SCZZXKLOSA-N 0 3 244.429 3.244 20 0 BGADHN CC[C@H](CSC)N[C@H](C)c1cnc(C)s1 ZINC000132359065 371797671 /nfs/dbraw/zinc/79/76/71/371797671.db2.gz CWWPMHDGIWOSIO-PSASIEDQSA-N 0 3 244.429 3.244 20 0 BGADHN CC[C@@H](CSC)N[C@@H](C)c1cncc(F)c1 ZINC000132382771 384228822 /nfs/dbraw/zinc/22/88/22/384228822.db2.gz HJXVERIFYPFSJN-CABZTGNLSA-N 0 3 242.363 3.013 20 0 BGADHN CC[C@H](CSC)N[C@@H](C)c1cncc(F)c1 ZINC000132382940 384228203 /nfs/dbraw/zinc/22/82/03/384228203.db2.gz HJXVERIFYPFSJN-JOYOIKCWSA-N 0 3 242.363 3.013 20 0 BGADHN CC[C@@H](CSC)N[C@H](C)c1cncc(F)c1 ZINC000132383121 384228317 /nfs/dbraw/zinc/22/83/17/384228317.db2.gz HJXVERIFYPFSJN-SKDRFNHKSA-N 0 3 242.363 3.013 20 0 BGADHN CC[C@H](CSC)N[C@H](C)c1cncc(F)c1 ZINC000132383279 384227147 /nfs/dbraw/zinc/22/71/47/384227147.db2.gz HJXVERIFYPFSJN-BXKDBHETSA-N 0 3 242.363 3.013 20 0 BGADHN CC(C)CNCc1ncc(C(C)C)s1 ZINC000132385277 344299770 /nfs/dbraw/zinc/29/97/70/344299770.db2.gz QOKRRVIOYQQWAN-UHFFFAOYSA-N 0 3 212.362 3.012 20 0 BGADHN Fc1ccccc1C1(NC2CCCC2)CC1 ZINC000132388311 181010599 /nfs/dbraw/zinc/01/05/99/181010599.db2.gz PTRCLYPRDGELCZ-UHFFFAOYSA-N 0 3 219.303 3.347 20 0 BGADHN CC(C)NC1(c2ccc(F)cc2F)CCC1 ZINC000132394548 191031692 /nfs/dbraw/zinc/03/16/92/191031692.db2.gz DJTSPMFXEUWAAG-UHFFFAOYSA-N 0 3 225.282 3.342 20 0 BGADHN CC(C)(C)CCNCc1cnc2ccccc2n1 ZINC000132396318 371810776 /nfs/dbraw/zinc/81/07/76/371810776.db2.gz OSGWDPRHAMJCAW-UHFFFAOYSA-N 0 3 243.354 3.156 20 0 BGADHN C[C@H](NCC1CCC1)c1cccc(F)c1F ZINC000132401564 191102387 /nfs/dbraw/zinc/10/23/87/191102387.db2.gz HOZNYXZQZQXATR-VIFPVBQESA-N 0 3 225.282 3.416 20 0 BGADHN C[C@@H](NCC1CCC1)c1cccc(F)c1F ZINC000132401798 191031264 /nfs/dbraw/zinc/03/12/64/191031264.db2.gz HOZNYXZQZQXATR-SECBINFHSA-N 0 3 225.282 3.416 20 0 BGADHN CCCCN[C@@H](C)c1cccc(F)c1F ZINC000132402855 191031298 /nfs/dbraw/zinc/03/12/98/191031298.db2.gz KRNYPWFGAZNMEP-VIFPVBQESA-N 0 3 213.271 3.416 20 0 BGADHN CCCCN[C@H](C)c1cccc(F)c1F ZINC000132403084 191031498 /nfs/dbraw/zinc/03/14/98/191031498.db2.gz KRNYPWFGAZNMEP-SECBINFHSA-N 0 3 213.271 3.416 20 0 BGADHN Cc1ccc(CN[C@@H](C)c2cncs2)s1 ZINC000132410574 384187161 /nfs/dbraw/zinc/18/71/61/384187161.db2.gz ZKIFSWHAKUOSFG-VIFPVBQESA-N 0 3 238.381 3.364 20 0 BGADHN Cc1ccc(CN[C@H](C)c2cncs2)s1 ZINC000132410788 384188517 /nfs/dbraw/zinc/18/85/17/384188517.db2.gz ZKIFSWHAKUOSFG-SECBINFHSA-N 0 3 238.381 3.364 20 0 BGADHN FCCCN1CC=C(c2cccs2)CC1 ZINC000132424320 358723454 /nfs/dbraw/zinc/72/34/54/358723454.db2.gz PGDKXLQXGWFGTO-UHFFFAOYSA-N 0 3 225.332 3.197 20 0 BGADHN Cc1nc(CN[C@@H](C)CC2CCC2)cs1 ZINC000132456597 491127212 /nfs/dbraw/zinc/12/72/12/491127212.db2.gz FARVOEIPGCATMF-VIFPVBQESA-N 0 3 224.373 3.120 20 0 BGADHN Cc1nc(CN[C@H](C)CC2CCC2)cs1 ZINC000132456828 491136205 /nfs/dbraw/zinc/13/62/05/491136205.db2.gz FARVOEIPGCATMF-SECBINFHSA-N 0 3 224.373 3.120 20 0 BGADHN Cc1cccc(CN[C@@H](C)CC2CCC2)n1 ZINC000132458490 491136226 /nfs/dbraw/zinc/13/62/26/491136226.db2.gz ZOVPTIKDJVNCKA-LBPRGKRZSA-N 0 3 218.344 3.058 20 0 BGADHN Cc1cccc(CN[C@H](C)CC2CCC2)n1 ZINC000132458694 491136198 /nfs/dbraw/zinc/13/61/98/491136198.db2.gz ZOVPTIKDJVNCKA-GFCCVEGCSA-N 0 3 218.344 3.058 20 0 BGADHN CN(CCCCC(F)(F)F)Cc1cccnc1 ZINC000132468801 384229908 /nfs/dbraw/zinc/22/99/08/384229908.db2.gz SWNNNXVAHAKBCN-UHFFFAOYSA-N 0 3 246.276 3.246 20 0 BGADHN CSCCCN[C@@H](C)c1cccnc1Cl ZINC000132480781 384190561 /nfs/dbraw/zinc/19/05/61/384190561.db2.gz ITFZYONSLRGYFA-VIFPVBQESA-N 0 3 244.791 3.139 20 0 BGADHN CSCCCN[C@H](C)c1cccnc1Cl ZINC000132480963 384190309 /nfs/dbraw/zinc/19/03/09/384190309.db2.gz ITFZYONSLRGYFA-SECBINFHSA-N 0 3 244.791 3.139 20 0 BGADHN Fc1ccc2c(c1)CC[C@@H]2NCCC(F)(F)F ZINC000132505179 191032661 /nfs/dbraw/zinc/03/26/61/191032661.db2.gz DCESRRXCQCDBAR-NSHDSACASA-N 0 3 247.235 3.355 20 0 BGADHN Fc1ccc2c(c1)CC[C@H]2NCCC(F)(F)F ZINC000132505374 191033187 /nfs/dbraw/zinc/03/31/87/191033187.db2.gz DCESRRXCQCDBAR-LLVKDONJSA-N 0 3 247.235 3.355 20 0 BGADHN CCOCCN1CCCCC[C@@H]1c1ccco1 ZINC000132529297 170398795 /nfs/dbraw/zinc/39/87/95/170398795.db2.gz ZMJWYXFFBFFQOM-CYBMUJFWSA-N 0 3 237.343 3.233 20 0 BGADHN CCOCCN1CCCCC[C@H]1c1ccco1 ZINC000132529514 170398592 /nfs/dbraw/zinc/39/85/92/170398592.db2.gz ZMJWYXFFBFFQOM-ZDUSSCGKSA-N 0 3 237.343 3.233 20 0 BGADHN CCC[N@@H+](Cc1cccc([O-])c1)C(C)C ZINC000132538466 344303534 /nfs/dbraw/zinc/30/35/34/344303534.db2.gz UJZQOCALJCGPQQ-UHFFFAOYSA-N 0 3 207.317 3.013 20 0 BGADHN CCC[N@H+](Cc1cccc([O-])c1)C(C)C ZINC000132538466 344303532 /nfs/dbraw/zinc/30/35/32/344303532.db2.gz UJZQOCALJCGPQQ-UHFFFAOYSA-N 0 3 207.317 3.013 20 0 BGADHN Fc1cccc(Cl)c1CNC1CC=CC1 ZINC000132554850 412062370 /nfs/dbraw/zinc/06/23/70/412062370.db2.gz NLRXTTFBTZAJII-UHFFFAOYSA-N 0 3 225.694 3.287 20 0 BGADHN COC[C@H](C)NCc1c(C)cc(Cl)cc1C ZINC000132563884 398307286 /nfs/dbraw/zinc/30/72/86/398307286.db2.gz JUJYLBWPSDRPED-NSHDSACASA-N 0 3 241.762 3.081 20 0 BGADHN COC[C@@H](C)NCc1c(C)cc(Cl)cc1C ZINC000132564103 398307166 /nfs/dbraw/zinc/30/71/66/398307166.db2.gz JUJYLBWPSDRPED-LLVKDONJSA-N 0 3 241.762 3.081 20 0 BGADHN Cc1cc([C@@H](C)NC2CC=CC2)c(C)o1 ZINC000132573598 491137035 /nfs/dbraw/zinc/13/70/35/491137035.db2.gz IBOBCQZZNMQJPM-SNVBAGLBSA-N 0 3 205.301 3.266 20 0 BGADHN Cc1cc([C@H](C)NC2CC=CC2)c(C)o1 ZINC000132573803 491137033 /nfs/dbraw/zinc/13/70/33/491137033.db2.gz IBOBCQZZNMQJPM-JTQLQIEISA-N 0 3 205.301 3.266 20 0 BGADHN CC[N@@H+](Cc1cccc([O-])c1)C1CCCC1 ZINC000132604577 345337126 /nfs/dbraw/zinc/33/71/26/345337126.db2.gz DWXIXVICLMXMRQ-UHFFFAOYSA-N 0 3 219.328 3.157 20 0 BGADHN CC[N@H+](Cc1cccc([O-])c1)C1CCCC1 ZINC000132604577 345337124 /nfs/dbraw/zinc/33/71/24/345337124.db2.gz DWXIXVICLMXMRQ-UHFFFAOYSA-N 0 3 219.328 3.157 20 0 BGADHN CCc1ccc([C@@H](C)NCCCSC)o1 ZINC000132608127 384198404 /nfs/dbraw/zinc/19/84/04/384198404.db2.gz RMOHLBOEJWUVDM-SNVBAGLBSA-N 0 3 227.373 3.246 20 0 BGADHN CCc1ccc([C@H](C)NCCCSC)o1 ZINC000132608350 171839080 /nfs/dbraw/zinc/83/90/80/171839080.db2.gz RMOHLBOEJWUVDM-JTQLQIEISA-N 0 3 227.373 3.246 20 0 BGADHN Cc1ccc(NCc2ccco2)c(CN(C)C)c1 ZINC000132626851 384242099 /nfs/dbraw/zinc/24/20/99/384242099.db2.gz TULFLYRMVHYCPP-UHFFFAOYSA-N 0 3 244.338 3.262 20 0 BGADHN Cc1ccc(OC(F)F)c([C@@H](C)NC2CC2)c1 ZINC000132642690 384241852 /nfs/dbraw/zinc/24/18/52/384241852.db2.gz MVUSIDJOKUNYDI-SECBINFHSA-N 0 3 241.281 3.409 20 0 BGADHN Cc1ccc(OC(F)F)c([C@H](C)NC2CC2)c1 ZINC000132642880 384242052 /nfs/dbraw/zinc/24/20/52/384242052.db2.gz MVUSIDJOKUNYDI-VIFPVBQESA-N 0 3 241.281 3.409 20 0 BGADHN C[C@H](NC1CC1)c1ccccc1OC(F)(F)F ZINC000132649164 384240800 /nfs/dbraw/zinc/24/08/00/384240800.db2.gz OQRPACDMKMKMPT-QMMMGPOBSA-N 0 3 245.244 3.398 20 0 BGADHN C[C@@H](NC1CC1)c1ccccc1OC(F)(F)F ZINC000132649388 384241430 /nfs/dbraw/zinc/24/14/30/384241430.db2.gz OQRPACDMKMKMPT-MRVPVSSYSA-N 0 3 245.244 3.398 20 0 BGADHN CC(C)=CCN1CCc2ccsc2C1 ZINC000132653675 191102861 /nfs/dbraw/zinc/10/28/61/191102861.db2.gz YETMLWJQNGEUIM-UHFFFAOYSA-N 0 3 207.342 3.072 20 0 BGADHN CO[C@H](C)[C@H](C)N[C@H](C)c1ccc(C)c(F)c1 ZINC000132664584 358731978 /nfs/dbraw/zinc/73/19/78/358731978.db2.gz HLSCTSBADFGSIC-QJPTWQEYSA-N 0 3 239.334 3.208 20 0 BGADHN Cc1nc(C(C)C)sc1[C@@H](C)NC1CC1 ZINC000132664650 398307546 /nfs/dbraw/zinc/30/75/46/398307546.db2.gz QNSQYJXBRZCBMQ-MRVPVSSYSA-N 0 3 224.373 3.388 20 0 BGADHN Cc1nc(C(C)C)sc1[C@H](C)NC1CC1 ZINC000132664856 398308076 /nfs/dbraw/zinc/30/80/76/398308076.db2.gz QNSQYJXBRZCBMQ-QMMMGPOBSA-N 0 3 224.373 3.388 20 0 BGADHN CO[C@H](C)[C@@H](C)N[C@H](C)c1ccc(C)c(F)c1 ZINC000132664998 358731772 /nfs/dbraw/zinc/73/17/72/358731772.db2.gz HLSCTSBADFGSIC-IJLUTSLNSA-N 0 3 239.334 3.208 20 0 BGADHN COc1ccc([C@H](C)NC2CC2)cc1Cl ZINC000132681291 325237316 /nfs/dbraw/zinc/23/73/16/325237316.db2.gz GODBYDILHOEJRS-QMMMGPOBSA-N 0 3 225.719 3.162 20 0 BGADHN COc1ccc([C@@H](C)NC2CC2)cc1Cl ZINC000132681492 325237513 /nfs/dbraw/zinc/23/75/13/325237513.db2.gz GODBYDILHOEJRS-MRVPVSSYSA-N 0 3 225.719 3.162 20 0 BGADHN CC1(C)Cc2occc2[C@H](NC2CC2)C1 ZINC000132685740 384200493 /nfs/dbraw/zinc/20/04/93/384200493.db2.gz JYDVTAHOUXLORY-LLVKDONJSA-N 0 3 205.301 3.045 20 0 BGADHN CC1(C)Cc2occc2[C@@H](NC2CC2)C1 ZINC000132685915 384201051 /nfs/dbraw/zinc/20/10/51/384201051.db2.gz JYDVTAHOUXLORY-NSHDSACASA-N 0 3 205.301 3.045 20 0 BGADHN CSc1ccc([C@H](C)NC2CC2)cc1F ZINC000132688507 384200971 /nfs/dbraw/zinc/20/09/71/384200971.db2.gz LGPUEBYBRQLUQP-QMMMGPOBSA-N 0 3 225.332 3.361 20 0 BGADHN CSc1ccc([C@@H](C)NC2CC2)cc1F ZINC000132688709 384201191 /nfs/dbraw/zinc/20/11/91/384201191.db2.gz LGPUEBYBRQLUQP-MRVPVSSYSA-N 0 3 225.332 3.361 20 0 BGADHN Cc1cccc(C)c1CCNCc1ccco1 ZINC000132693156 325238478 /nfs/dbraw/zinc/23/84/78/325238478.db2.gz GWQUEYZJYQHHJK-UHFFFAOYSA-N 0 3 229.323 3.229 20 0 BGADHN CC(C)C[N@@H+](Cc1cccc([O-])c1)C(C)C ZINC000132711729 358734650 /nfs/dbraw/zinc/73/46/50/358734650.db2.gz QPSMTSAHXVDMKC-UHFFFAOYSA-N 0 3 221.344 3.259 20 0 BGADHN CC(C)C[N@H+](Cc1cccc([O-])c1)C(C)C ZINC000132711729 358734646 /nfs/dbraw/zinc/73/46/46/358734646.db2.gz QPSMTSAHXVDMKC-UHFFFAOYSA-N 0 3 221.344 3.259 20 0 BGADHN CCC1CCN(Cc2cccc(O)c2)CC1 ZINC000132714973 358733939 /nfs/dbraw/zinc/73/39/39/358733939.db2.gz XNVSLTRWVWNFJH-UHFFFAOYSA-N 0 3 219.328 3.014 20 0 BGADHN COc1cc(C)ccc1[C@@H](C)NC1CC=CC1 ZINC000132715033 538110747 /nfs/dbraw/zinc/11/07/47/538110747.db2.gz MSKJCMJZWNHXSR-GFCCVEGCSA-N 0 3 231.339 3.373 20 0 BGADHN COc1cc(C)ccc1[C@H](C)NC1CC=CC1 ZINC000132715232 538110776 /nfs/dbraw/zinc/11/07/76/538110776.db2.gz MSKJCMJZWNHXSR-LBPRGKRZSA-N 0 3 231.339 3.373 20 0 BGADHN CC1(C)C[C@H](NC2CC2)c2ccc(F)cc2O1 ZINC000132718303 358734677 /nfs/dbraw/zinc/73/46/77/358734677.db2.gz KCOOHBZLUSKQQD-LBPRGKRZSA-N 0 3 235.302 3.180 20 0 BGADHN CC1(C)C[C@@H](NC2CC2)c2ccc(F)cc2O1 ZINC000132718492 358733976 /nfs/dbraw/zinc/73/39/76/358733976.db2.gz KCOOHBZLUSKQQD-GFCCVEGCSA-N 0 3 235.302 3.180 20 0 BGADHN CC1(C)CCN(Cc2cccc(O)c2)CC1 ZINC000132719736 345340926 /nfs/dbraw/zinc/34/09/26/345340926.db2.gz SMRREQBZFLUXQQ-UHFFFAOYSA-N 0 3 219.328 3.014 20 0 BGADHN Cc1ccc([O-])c(C[N@H+](C)[C@@H]2CCC[C@H](C)C2)n1 ZINC000132728518 358734297 /nfs/dbraw/zinc/73/42/97/358734297.db2.gz HWQZRGYFQJAPCD-WCQYABFASA-N 0 3 248.370 3.106 20 0 BGADHN Cc1ccc([O-])c(C[N@@H+](C)[C@@H]2CCC[C@H](C)C2)n1 ZINC000132728518 358734295 /nfs/dbraw/zinc/73/42/95/358734295.db2.gz HWQZRGYFQJAPCD-WCQYABFASA-N 0 3 248.370 3.106 20 0 BGADHN Cc1ccc([O-])c(C[N@H+](C)[C@H]2CCC[C@H](C)C2)n1 ZINC000132728732 358734151 /nfs/dbraw/zinc/73/41/51/358734151.db2.gz HWQZRGYFQJAPCD-AAEUAGOBSA-N 0 3 248.370 3.106 20 0 BGADHN Cc1ccc([O-])c(C[N@@H+](C)[C@H]2CCC[C@H](C)C2)n1 ZINC000132728732 358734147 /nfs/dbraw/zinc/73/41/47/358734147.db2.gz HWQZRGYFQJAPCD-AAEUAGOBSA-N 0 3 248.370 3.106 20 0 BGADHN Cc1ccsc1CN[C@@H](C)c1cncs1 ZINC000132730093 134666278 /nfs/dbraw/zinc/66/62/78/134666278.db2.gz FFXNVNXSETZLMZ-VIFPVBQESA-N 0 3 238.381 3.364 20 0 BGADHN Cc1ccsc1CN[C@H](C)c1cncs1 ZINC000132730289 344307963 /nfs/dbraw/zinc/30/79/63/344307963.db2.gz FFXNVNXSETZLMZ-SECBINFHSA-N 0 3 238.381 3.364 20 0 BGADHN CC1(C)CCCN(Cc2cccc(O)c2)C1 ZINC000132735935 358734840 /nfs/dbraw/zinc/73/48/40/358734840.db2.gz YUKBBAILRFBTSW-UHFFFAOYSA-N 0 3 219.328 3.014 20 0 BGADHN COC(C)(C)CN[C@@H](C)c1cc(F)cc(F)c1 ZINC000132736201 358735217 /nfs/dbraw/zinc/73/52/17/358735217.db2.gz VEZOSGRNSBMQRC-VIFPVBQESA-N 0 3 243.297 3.040 20 0 BGADHN COC(C)(C)CN[C@H](C)c1cc(F)cc(F)c1 ZINC000132736415 358735024 /nfs/dbraw/zinc/73/50/24/358735024.db2.gz VEZOSGRNSBMQRC-SECBINFHSA-N 0 3 243.297 3.040 20 0 BGADHN CCC(C)(C)[N@@H+](C)Cc1cccc([O-])c1 ZINC000132741103 168286080 /nfs/dbraw/zinc/28/60/80/168286080.db2.gz MDHMRMOSNDYBLJ-UHFFFAOYSA-N 0 3 207.317 3.013 20 0 BGADHN CCC(C)(C)[N@H+](C)Cc1cccc([O-])c1 ZINC000132741103 168286078 /nfs/dbraw/zinc/28/60/78/168286078.db2.gz MDHMRMOSNDYBLJ-UHFFFAOYSA-N 0 3 207.317 3.013 20 0 BGADHN c1ccc2c(c1)OC1(CCC1)C[C@H]2NC1CC1 ZINC000132741529 384247623 /nfs/dbraw/zinc/24/76/23/384247623.db2.gz RJZDOEMZJJAKRJ-CYBMUJFWSA-N 0 3 229.323 3.185 20 0 BGADHN c1ccc2c(c1)OC1(CCC1)C[C@@H]2NC1CC1 ZINC000132741714 384246432 /nfs/dbraw/zinc/24/64/32/384246432.db2.gz RJZDOEMZJJAKRJ-ZDUSSCGKSA-N 0 3 229.323 3.185 20 0 BGADHN C[C@@H]1CCCCC[N@H+]1Cc1cccc([O-])c1 ZINC000132743034 358734806 /nfs/dbraw/zinc/73/48/06/358734806.db2.gz AHQKUTZABDKZTP-GFCCVEGCSA-N 0 3 219.328 3.157 20 0 BGADHN C[C@@H]1CCCCC[N@@H+]1Cc1cccc([O-])c1 ZINC000132743034 358734803 /nfs/dbraw/zinc/73/48/03/358734803.db2.gz AHQKUTZABDKZTP-GFCCVEGCSA-N 0 3 219.328 3.157 20 0 BGADHN C[C@H]1CCCCC[N@H+]1Cc1cccc([O-])c1 ZINC000132743232 358735154 /nfs/dbraw/zinc/73/51/54/358735154.db2.gz AHQKUTZABDKZTP-LBPRGKRZSA-N 0 3 219.328 3.157 20 0 BGADHN C[C@H]1CCCCC[N@@H+]1Cc1cccc([O-])c1 ZINC000132743232 358735150 /nfs/dbraw/zinc/73/51/50/358735150.db2.gz AHQKUTZABDKZTP-LBPRGKRZSA-N 0 3 219.328 3.157 20 0 BGADHN CC(C)N(Cc1nc2cc(F)ccc2o1)C1CC1 ZINC000132743629 358735429 /nfs/dbraw/zinc/73/54/29/358735429.db2.gz UFJWWPJQMZLCTN-UHFFFAOYSA-N 0 3 248.301 3.340 20 0 BGADHN c1cc2c(s1)CN(Cc1ccccc1)CC2 ZINC000132743807 325243050 /nfs/dbraw/zinc/24/30/50/325243050.db2.gz HJABBINPIDUXQV-UHFFFAOYSA-N 0 3 229.348 3.306 20 0 BGADHN C[C@H](NC[C@H]1C[C@H]1C)c1cc(F)ccc1F ZINC000132749475 191035022 /nfs/dbraw/zinc/03/50/22/191035022.db2.gz LBMDHPIBRNRHTH-KXUCPTDWSA-N 0 3 225.282 3.271 20 0 BGADHN C[C@H](NC[C@H]1C[C@@H]1C)c1cc(F)ccc1F ZINC000132749675 490539969 /nfs/dbraw/zinc/53/99/69/490539969.db2.gz LBMDHPIBRNRHTH-LPEHRKFASA-N 0 3 225.282 3.271 20 0 BGADHN C[C@H](NC[C@@H]1C[C@H]1C)c1cc(F)ccc1F ZINC000132749896 191035192 /nfs/dbraw/zinc/03/51/92/191035192.db2.gz LBMDHPIBRNRHTH-UTLUCORTSA-N 0 3 225.282 3.271 20 0 BGADHN C[C@H](NC[C@@H]1C[C@@H]1C)c1cc(F)ccc1F ZINC000132750081 191035046 /nfs/dbraw/zinc/03/50/46/191035046.db2.gz LBMDHPIBRNRHTH-GUBZILKMSA-N 0 3 225.282 3.271 20 0 BGADHN CC[C@H](NC1CC1)c1ccccc1OC(F)F ZINC000132753663 384249133 /nfs/dbraw/zinc/24/91/33/384249133.db2.gz YQEIMTMXKOGNDO-NSHDSACASA-N 0 3 241.281 3.491 20 0 BGADHN CC[C@@H](NC1CC1)c1ccccc1OC(F)F ZINC000132753870 384250382 /nfs/dbraw/zinc/25/03/82/384250382.db2.gz YQEIMTMXKOGNDO-LLVKDONJSA-N 0 3 241.281 3.491 20 0 BGADHN C[C@H](NC[C@H]1C[C@H]1C)c1c(F)cccc1F ZINC000132786853 384204970 /nfs/dbraw/zinc/20/49/70/384204970.db2.gz QIGWHVDSTAKQDU-KXUCPTDWSA-N 0 3 225.282 3.271 20 0 BGADHN C[C@H](NC[C@H]1C[C@@H]1C)c1c(F)cccc1F ZINC000132787036 384204965 /nfs/dbraw/zinc/20/49/65/384204965.db2.gz QIGWHVDSTAKQDU-LPEHRKFASA-N 0 3 225.282 3.271 20 0 BGADHN C[C@H](NC[C@@H]1C[C@H]1C)c1c(F)cccc1F ZINC000132787201 384204835 /nfs/dbraw/zinc/20/48/35/384204835.db2.gz QIGWHVDSTAKQDU-UTLUCORTSA-N 0 3 225.282 3.271 20 0 BGADHN C[C@H](NC[C@@H]1C[C@@H]1C)c1c(F)cccc1F ZINC000132787408 384205176 /nfs/dbraw/zinc/20/51/76/384205176.db2.gz QIGWHVDSTAKQDU-GUBZILKMSA-N 0 3 225.282 3.271 20 0 BGADHN C[C@H](NC1CC1)c1ccc(F)cc1OC(F)F ZINC000132798716 384252233 /nfs/dbraw/zinc/25/22/33/384252233.db2.gz GWYYTANUZGZFAG-ZETCQYMHSA-N 0 3 245.244 3.240 20 0 BGADHN C[C@@H](NC1CC1)c1ccc(F)cc1OC(F)F ZINC000132798933 384252250 /nfs/dbraw/zinc/25/22/50/384252250.db2.gz GWYYTANUZGZFAG-SSDOTTSWSA-N 0 3 245.244 3.240 20 0 BGADHN CCOc1ccc([C@@H](C)NC2CC2)cc1OCC ZINC000132807177 384252035 /nfs/dbraw/zinc/25/20/35/384252035.db2.gz YOZKKPOVOMDIIE-LLVKDONJSA-N 0 3 249.354 3.297 20 0 BGADHN CCOc1ccc([C@H](C)NC2CC2)cc1OCC ZINC000132807369 384253323 /nfs/dbraw/zinc/25/33/23/384253323.db2.gz YOZKKPOVOMDIIE-NSHDSACASA-N 0 3 249.354 3.297 20 0 BGADHN CC[C@H](O)CCN[C@@H](C)c1cc2ccccc2o1 ZINC000132833485 384255641 /nfs/dbraw/zinc/25/56/41/384255641.db2.gz KBHHAPNVAQUOFK-AAEUAGOBSA-N 0 3 247.338 3.244 20 0 BGADHN CC[C@@H](O)CCN[C@@H](C)c1cc2ccccc2o1 ZINC000132833684 345347719 /nfs/dbraw/zinc/34/77/19/345347719.db2.gz KBHHAPNVAQUOFK-WCQYABFASA-N 0 3 247.338 3.244 20 0 BGADHN CC[C@H](O)CCN[C@H](C)c1cc2ccccc2o1 ZINC000132833851 384255128 /nfs/dbraw/zinc/25/51/28/384255128.db2.gz KBHHAPNVAQUOFK-YPMHNXCESA-N 0 3 247.338 3.244 20 0 BGADHN CC[C@@H](O)CCN[C@H](C)c1cc2ccccc2o1 ZINC000132834044 345347748 /nfs/dbraw/zinc/34/77/48/345347748.db2.gz KBHHAPNVAQUOFK-DGCLKSJQSA-N 0 3 247.338 3.244 20 0 BGADHN C[C@H](NCc1ccc(Cl)o1)C(C)(C)C ZINC000132855752 371937734 /nfs/dbraw/zinc/93/77/34/371937734.db2.gz AWQJJKWBDQFHRM-QMMMGPOBSA-N 0 3 215.724 3.457 20 0 BGADHN C[C@@H](NCc1ccc(Cl)o1)C(C)(C)C ZINC000132855947 343189188 /nfs/dbraw/zinc/18/91/88/343189188.db2.gz AWQJJKWBDQFHRM-MRVPVSSYSA-N 0 3 215.724 3.457 20 0 BGADHN Cc1ccc([C@@H](C)NCCOCC(C)C)s1 ZINC000132889568 591747122 /nfs/dbraw/zinc/74/71/22/591747122.db2.gz HXLBQYGBRXEKDF-GFCCVEGCSA-N 0 3 241.400 3.380 20 0 BGADHN Cc1ccc([C@H](C)NCCOCC(C)C)s1 ZINC000132889776 591746761 /nfs/dbraw/zinc/74/67/61/591746761.db2.gz HXLBQYGBRXEKDF-LBPRGKRZSA-N 0 3 241.400 3.380 20 0 BGADHN CC[C@H](NCCOCC(C)C)c1cccs1 ZINC000132896260 398308552 /nfs/dbraw/zinc/30/85/52/398308552.db2.gz IKJTYXUAIHCPMD-LBPRGKRZSA-N 0 3 241.400 3.461 20 0 BGADHN CC[C@@H](NCCOCC(C)C)c1cccs1 ZINC000132896455 398308515 /nfs/dbraw/zinc/30/85/15/398308515.db2.gz IKJTYXUAIHCPMD-GFCCVEGCSA-N 0 3 241.400 3.461 20 0 BGADHN COc1cccc(Cl)c1CNCCC(C)C ZINC000132925596 384213621 /nfs/dbraw/zinc/21/36/21/384213621.db2.gz IUMVPKYJLNUGRY-UHFFFAOYSA-N 0 3 241.762 3.484 20 0 BGADHN COc1cccc(Cl)c1CNCC(C)(C)C ZINC000132927473 384213755 /nfs/dbraw/zinc/21/37/55/384213755.db2.gz DGSJBSYIXQFSQA-UHFFFAOYSA-N 0 3 241.762 3.484 20 0 BGADHN COc1cccc(Cl)c1CNCC1CCC1 ZINC000132927702 358739708 /nfs/dbraw/zinc/73/97/08/358739708.db2.gz UQVQGJYUFJADPX-UHFFFAOYSA-N 0 3 239.746 3.238 20 0 BGADHN C[C@@H]1CCCC[C@@H]1N(C)Cc1nccs1 ZINC000132932267 176078592 /nfs/dbraw/zinc/07/85/92/176078592.db2.gz KRZINUVWDGZYHP-MNOVXSKESA-N 0 3 224.373 3.154 20 0 BGADHN C[C@H]1CCCC[C@@H]1N(C)Cc1nccs1 ZINC000132932459 177080706 /nfs/dbraw/zinc/08/07/06/177080706.db2.gz KRZINUVWDGZYHP-QWRGUYRKSA-N 0 3 224.373 3.154 20 0 BGADHN C[C@@H]1CCCC[C@H]1N(C)Cc1nccs1 ZINC000132932647 176086019 /nfs/dbraw/zinc/08/60/19/176086019.db2.gz KRZINUVWDGZYHP-GHMZBOCLSA-N 0 3 224.373 3.154 20 0 BGADHN C[C@H]1CCCC[C@H]1N(C)Cc1nccs1 ZINC000132932834 177086614 /nfs/dbraw/zinc/08/66/14/177086614.db2.gz KRZINUVWDGZYHP-WDEREUQCSA-N 0 3 224.373 3.154 20 0 BGADHN Cc1cc([C@@H](C)NCCOC(C)(C)C)c(C)o1 ZINC000132953891 358740140 /nfs/dbraw/zinc/74/01/40/358740140.db2.gz VDUGPUMEUCHECR-LLVKDONJSA-N 0 3 239.359 3.362 20 0 BGADHN Cc1cc([C@H](C)NCCOC(C)(C)C)c(C)o1 ZINC000132954104 358740495 /nfs/dbraw/zinc/74/04/95/358740495.db2.gz VDUGPUMEUCHECR-NSHDSACASA-N 0 3 239.359 3.362 20 0 BGADHN CC(C)C[C@@H](C)NCc1ccc(Cl)cn1 ZINC000132968370 591751656 /nfs/dbraw/zinc/75/16/56/591751656.db2.gz PRVGKNAACIUDPB-SNVBAGLBSA-N 0 3 226.751 3.259 20 0 BGADHN CC(C)C[C@H](C)NCc1ccc(Cl)cn1 ZINC000132968602 591751782 /nfs/dbraw/zinc/75/17/82/591751782.db2.gz PRVGKNAACIUDPB-JTQLQIEISA-N 0 3 226.751 3.259 20 0 BGADHN C[C@@H]1CCC[C@H](NCc2ccc(Cl)cn2)C1 ZINC000132974593 591752434 /nfs/dbraw/zinc/75/24/34/591752434.db2.gz NMEUJYAKOFUDRY-PWSUYJOCSA-N 0 3 238.762 3.403 20 0 BGADHN C[C@H]1CCC[C@H](NCc2ccc(Cl)cn2)C1 ZINC000132974763 591752596 /nfs/dbraw/zinc/75/25/96/591752596.db2.gz NMEUJYAKOFUDRY-JQWIXIFHSA-N 0 3 238.762 3.403 20 0 BGADHN C[C@@H]1CCC[C@@H](NCc2ccc(Cl)cn2)C1 ZINC000132975004 591752113 /nfs/dbraw/zinc/75/21/13/591752113.db2.gz NMEUJYAKOFUDRY-ZYHUDNBSSA-N 0 3 238.762 3.403 20 0 BGADHN C[C@H]1CCC[C@@H](NCc2ccc(Cl)cn2)C1 ZINC000132975246 591752870 /nfs/dbraw/zinc/75/28/70/591752870.db2.gz NMEUJYAKOFUDRY-CMPLNLGQSA-N 0 3 238.762 3.403 20 0 BGADHN C[C@@H]1CCC[C@@H]1NCc1ccc(Cl)cn1 ZINC000132975918 176131901 /nfs/dbraw/zinc/13/19/01/176131901.db2.gz OOWYVDFZAKQQHS-SKDRFNHKSA-N 0 3 224.735 3.013 20 0 BGADHN C[C@H]1CCC[C@@H]1NCc1ccc(Cl)cn1 ZINC000132976123 177126763 /nfs/dbraw/zinc/12/67/63/177126763.db2.gz OOWYVDFZAKQQHS-CABZTGNLSA-N 0 3 224.735 3.013 20 0 BGADHN C[C@@H]1CCC[C@H]1NCc1ccc(Cl)cn1 ZINC000132976382 176150527 /nfs/dbraw/zinc/15/05/27/176150527.db2.gz OOWYVDFZAKQQHS-BXKDBHETSA-N 0 3 224.735 3.013 20 0 BGADHN C[C@H]1CCC[C@H]1NCc1ccc(Cl)cn1 ZINC000132976602 177143058 /nfs/dbraw/zinc/14/30/58/177143058.db2.gz OOWYVDFZAKQQHS-JOYOIKCWSA-N 0 3 224.735 3.013 20 0 BGADHN CC[C@@H](C)[C@@H](C)NCc1ccc(Cl)cn1 ZINC000132978923 384219623 /nfs/dbraw/zinc/21/96/23/384219623.db2.gz DHFAGWDRJQMWSL-NXEZZACHSA-N 0 3 226.751 3.259 20 0 BGADHN CC[C@H](C)[C@@H](C)NCc1ccc(Cl)cn1 ZINC000132979125 171365636 /nfs/dbraw/zinc/36/56/36/171365636.db2.gz DHFAGWDRJQMWSL-VHSXEESVSA-N 0 3 226.751 3.259 20 0 BGADHN CC[C@@H](C)[C@H](C)NCc1ccc(Cl)cn1 ZINC000132979325 384220981 /nfs/dbraw/zinc/22/09/81/384220981.db2.gz DHFAGWDRJQMWSL-ZJUUUORDSA-N 0 3 226.751 3.259 20 0 BGADHN CC[C@H](C)[C@H](C)NCc1ccc(Cl)cn1 ZINC000132979541 171389247 /nfs/dbraw/zinc/38/92/47/171389247.db2.gz DHFAGWDRJQMWSL-UWVGGRQHSA-N 0 3 226.751 3.259 20 0 BGADHN C[C@H](NCc1ccc(Cl)cn1)C(C)(C)C ZINC000132980584 384220833 /nfs/dbraw/zinc/22/08/33/384220833.db2.gz YDTCVZFJBXMNEA-VIFPVBQESA-N 0 3 226.751 3.259 20 0 BGADHN C[C@@H](NCc1ccc(Cl)cn1)C(C)(C)C ZINC000132980782 384219893 /nfs/dbraw/zinc/21/98/93/384219893.db2.gz YDTCVZFJBXMNEA-SECBINFHSA-N 0 3 226.751 3.259 20 0 BGADHN CC[C@H](NCc1ccc(Cl)cn1)C1CC1 ZINC000132983190 384220090 /nfs/dbraw/zinc/22/00/90/384220090.db2.gz RIBRNDDPLWWVPV-LBPRGKRZSA-N 0 3 224.735 3.013 20 0 BGADHN CC[C@@H](NCc1ccc(Cl)cn1)C1CC1 ZINC000132983411 344310635 /nfs/dbraw/zinc/31/06/35/344310635.db2.gz RIBRNDDPLWWVPV-GFCCVEGCSA-N 0 3 224.735 3.013 20 0 BGADHN C[C@H](NCc1ccc(Cl)cn1)C1(C)CC1 ZINC000132984271 384220797 /nfs/dbraw/zinc/22/07/97/384220797.db2.gz FQDWNRLQULRSFG-VIFPVBQESA-N 0 3 224.735 3.013 20 0 BGADHN C[C@@H](NCc1ccc(Cl)cn1)C1(C)CC1 ZINC000132984475 384219121 /nfs/dbraw/zinc/21/91/21/384219121.db2.gz FQDWNRLQULRSFG-SECBINFHSA-N 0 3 224.735 3.013 20 0 BGADHN CC1(C)CCC[C@@H]1NCc1ccc(Cl)cn1 ZINC000132985573 343189315 /nfs/dbraw/zinc/18/93/15/343189315.db2.gz GAOQZNDMZICCJW-LBPRGKRZSA-N 0 3 238.762 3.403 20 0 BGADHN CC1(C)CCC[C@H]1NCc1ccc(Cl)cn1 ZINC000132985776 343189385 /nfs/dbraw/zinc/18/93/85/343189385.db2.gz GAOQZNDMZICCJW-GFCCVEGCSA-N 0 3 238.762 3.403 20 0 BGADHN C[C@H](NCc1ccc(Cl)cn1)C1CCCC1 ZINC000132987618 384266086 /nfs/dbraw/zinc/26/60/86/384266086.db2.gz NHVMLNLAJMAZPG-JTQLQIEISA-N 0 3 238.762 3.403 20 0 BGADHN C[C@@H](NCc1ccc(Cl)cn1)C1CCCC1 ZINC000132987875 384266342 /nfs/dbraw/zinc/26/63/42/384266342.db2.gz NHVMLNLAJMAZPG-SNVBAGLBSA-N 0 3 238.762 3.403 20 0 BGADHN CCC[C@@H](C)NCc1ccc(Cl)cn1 ZINC000132988102 591754401 /nfs/dbraw/zinc/75/44/01/591754401.db2.gz FPURFHZTVPFFOE-SECBINFHSA-N 0 3 212.724 3.013 20 0 BGADHN CCC[C@H](C)NCc1ccc(Cl)cn1 ZINC000132988308 591754920 /nfs/dbraw/zinc/75/49/20/591754920.db2.gz FPURFHZTVPFFOE-VIFPVBQESA-N 0 3 212.724 3.013 20 0 BGADHN C[C@@H]1CC[C@H](NCc2ccc(Cl)cn2)C1 ZINC000132989390 591754291 /nfs/dbraw/zinc/75/42/91/591754291.db2.gz QAPYKMLHVSSETF-KOLCDFICSA-N 0 3 224.735 3.013 20 0 BGADHN C[C@H]1CC[C@H](NCc2ccc(Cl)cn2)C1 ZINC000132989573 591754385 /nfs/dbraw/zinc/75/43/85/591754385.db2.gz QAPYKMLHVSSETF-ONGXEEELSA-N 0 3 224.735 3.013 20 0 BGADHN C[C@@H]1CC[C@@H](NCc2ccc(Cl)cn2)C1 ZINC000132989764 591754830 /nfs/dbraw/zinc/75/48/30/591754830.db2.gz QAPYKMLHVSSETF-MWLCHTKSSA-N 0 3 224.735 3.013 20 0 BGADHN C[C@H]1CC[C@@H](NCc2ccc(Cl)cn2)C1 ZINC000132989974 591754678 /nfs/dbraw/zinc/75/46/78/591754678.db2.gz QAPYKMLHVSSETF-GXSJLCMTSA-N 0 3 224.735 3.013 20 0 BGADHN C[C@@H](CC1CCC1)NCc1ccc(Cl)cn1 ZINC000132991429 591754547 /nfs/dbraw/zinc/75/45/47/591754547.db2.gz IWIROILFMSWDFV-JTQLQIEISA-N 0 3 238.762 3.403 20 0 BGADHN C[C@H](CC1CCC1)NCc1ccc(Cl)cn1 ZINC000132991613 591754653 /nfs/dbraw/zinc/75/46/53/591754653.db2.gz IWIROILFMSWDFV-SNVBAGLBSA-N 0 3 238.762 3.403 20 0 BGADHN C[C@H](NCc1cc(F)ccc1F)C1CCC1 ZINC000133020461 491145445 /nfs/dbraw/zinc/14/54/45/491145445.db2.gz APSNWKUEAVNBBB-VIFPVBQESA-N 0 3 225.282 3.243 20 0 BGADHN C[C@@H](NCc1cc(F)ccc1F)C1CCC1 ZINC000133020690 491145417 /nfs/dbraw/zinc/14/54/17/491145417.db2.gz APSNWKUEAVNBBB-SECBINFHSA-N 0 3 225.282 3.243 20 0 BGADHN Cc1cccc([C@@H](C)NCCOC(C)(C)C)c1 ZINC000133029280 325261766 /nfs/dbraw/zinc/26/17/66/325261766.db2.gz VLQMAADIAVXZTK-CYBMUJFWSA-N 0 3 235.371 3.461 20 0 BGADHN Cc1cccc([C@H](C)NCCOC(C)(C)C)c1 ZINC000133029953 325261959 /nfs/dbraw/zinc/26/19/59/325261959.db2.gz VLQMAADIAVXZTK-ZDUSSCGKSA-N 0 3 235.371 3.461 20 0 BGADHN C[C@H](NCc1ccc(CO)cc1)c1cccs1 ZINC000133031379 384268880 /nfs/dbraw/zinc/26/88/80/384268880.db2.gz IDGXUNDDWXQHFL-NSHDSACASA-N 0 3 247.363 3.091 20 0 BGADHN C[C@@H](NCc1ccc(CO)cc1)c1cccs1 ZINC000133031519 175896909 /nfs/dbraw/zinc/89/69/09/175896909.db2.gz IDGXUNDDWXQHFL-LLVKDONJSA-N 0 3 247.363 3.091 20 0 BGADHN c1ncc(CNCCCCc2ccccc2)s1 ZINC000133042838 491145778 /nfs/dbraw/zinc/14/57/78/491145778.db2.gz JVMPMUNMZUPYFQ-UHFFFAOYSA-N 0 3 246.379 3.256 20 0 BGADHN COC(C)(C)CN[C@@H](C)c1ccccc1Cl ZINC000133058467 358744282 /nfs/dbraw/zinc/74/42/82/358744282.db2.gz JGQZQYZBUQTZDR-JTQLQIEISA-N 0 3 241.762 3.416 20 0 BGADHN COC(C)(C)CN[C@H](C)c1ccccc1Cl ZINC000133058681 358744139 /nfs/dbraw/zinc/74/41/39/358744139.db2.gz JGQZQYZBUQTZDR-SNVBAGLBSA-N 0 3 241.762 3.416 20 0 BGADHN CC[C@H](CO)N[C@@H](CC)c1ccc(Cl)s1 ZINC000133062094 384224550 /nfs/dbraw/zinc/22/45/50/384224550.db2.gz BXNMPUXCQZQROH-BDAKNGLRSA-N 0 3 247.791 3.213 20 0 BGADHN CC[C@H](CO)N[C@H](CC)c1ccc(Cl)s1 ZINC000133062267 384224370 /nfs/dbraw/zinc/22/43/70/384224370.db2.gz BXNMPUXCQZQROH-RKDXNWHRSA-N 0 3 247.791 3.213 20 0 BGADHN C[C@H](NCc1ccc(CO)cc1)c1ccsc1 ZINC000133075730 491146088 /nfs/dbraw/zinc/14/60/88/491146088.db2.gz YTLBFDWDMRXIFJ-NSHDSACASA-N 0 3 247.363 3.091 20 0 BGADHN C[C@@H](NCc1ccc(CO)cc1)c1ccsc1 ZINC000133075944 491146133 /nfs/dbraw/zinc/14/61/33/491146133.db2.gz YTLBFDWDMRXIFJ-LLVKDONJSA-N 0 3 247.363 3.091 20 0 BGADHN Cc1cc(C)c(CNCc2cncs2)c(C)c1 ZINC000133079191 358744456 /nfs/dbraw/zinc/74/44/56/358744456.db2.gz QRHCCQFABKXJCY-UHFFFAOYSA-N 0 3 246.379 3.358 20 0 BGADHN c1ncc(CNC2CC(c3ccccc3)C2)s1 ZINC000133097566 183390428 /nfs/dbraw/zinc/39/04/28/183390428.db2.gz YVWQVFJYBMBEGI-UHFFFAOYSA-N 0 3 244.363 3.179 20 0 BGADHN C[C@@H](NCc1ccncc1Cl)C(C)(C)C ZINC000133099207 412409464 /nfs/dbraw/zinc/40/94/64/412409464.db2.gz WPSVEKAHCMQXRO-SECBINFHSA-N 0 3 226.751 3.259 20 0 BGADHN C[C@H](NCCOc1cccc(F)c1)c1ccoc1 ZINC000133105976 325268950 /nfs/dbraw/zinc/26/89/50/325268950.db2.gz JCYXTKDFGUWCIO-NSHDSACASA-N 0 3 249.285 3.148 20 0 BGADHN C[C@@H](NCCOc1cccc(F)c1)c1ccoc1 ZINC000133106208 325269153 /nfs/dbraw/zinc/26/91/53/325269153.db2.gz JCYXTKDFGUWCIO-LLVKDONJSA-N 0 3 249.285 3.148 20 0 BGADHN Fc1cc(Cl)ccc1CNC1CCC1 ZINC000133112640 180949537 /nfs/dbraw/zinc/94/95/37/180949537.db2.gz AWSJBKHWSFROPC-UHFFFAOYSA-N 0 3 213.683 3.121 20 0 BGADHN C[C@H](NCc1ccc(Cl)cc1F)C1CC1 ZINC000133115227 191036039 /nfs/dbraw/zinc/03/60/39/191036039.db2.gz DAIJIMZHRLCKLM-QMMMGPOBSA-N 0 3 227.710 3.367 20 0 BGADHN C[C@@H](NCc1ccc(Cl)cc1F)C1CC1 ZINC000133115368 191036797 /nfs/dbraw/zinc/03/67/97/191036797.db2.gz DAIJIMZHRLCKLM-MRVPVSSYSA-N 0 3 227.710 3.367 20 0 BGADHN CC1CC(NCc2ccc(Cl)cc2F)C1 ZINC000133115993 191036588 /nfs/dbraw/zinc/03/65/88/191036588.db2.gz WDAYVCLVHOONQB-UHFFFAOYSA-N 0 3 227.710 3.367 20 0 BGADHN CCC(CC)CNC(C)(C)c1nccs1 ZINC000133179435 168360332 /nfs/dbraw/zinc/36/03/32/168360332.db2.gz AELSIGYFSSIOFT-UHFFFAOYSA-N 0 3 226.389 3.404 20 0 BGADHN CCC[C@@H](C)CNC(C)(C)c1nccs1 ZINC000133179667 169358764 /nfs/dbraw/zinc/35/87/64/169358764.db2.gz MESWHLMRIOLZIS-SNVBAGLBSA-N 0 3 226.389 3.404 20 0 BGADHN CCC[C@H](C)CNC(C)(C)c1nccs1 ZINC000133179843 384231255 /nfs/dbraw/zinc/23/12/55/384231255.db2.gz MESWHLMRIOLZIS-JTQLQIEISA-N 0 3 226.389 3.404 20 0 BGADHN CCCN(Cc1cc(F)cc(F)c1)C1CC1 ZINC000133222949 325278340 /nfs/dbraw/zinc/27/83/40/325278340.db2.gz VLNNKHUFGITLER-UHFFFAOYSA-N 0 3 225.282 3.339 20 0 BGADHN Cc1csc([C@@H](C)N[C@@H](C)CC2CC2)n1 ZINC000133226364 191038603 /nfs/dbraw/zinc/03/86/03/191038603.db2.gz HAFQQHXEWFVLBX-WCBMZHEXSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1csc([C@H](C)N[C@@H](C)CC2CC2)n1 ZINC000133226567 191039030 /nfs/dbraw/zinc/03/90/30/191039030.db2.gz HAFQQHXEWFVLBX-WPRPVWTQSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1csc([C@@H](C)N[C@H](C)CC2CC2)n1 ZINC000133226769 191038886 /nfs/dbraw/zinc/03/88/86/191038886.db2.gz HAFQQHXEWFVLBX-PSASIEDQSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1csc([C@H](C)N[C@H](C)CC2CC2)n1 ZINC000133226953 191039408 /nfs/dbraw/zinc/03/94/08/191039408.db2.gz HAFQQHXEWFVLBX-SCZZXKLOSA-N 0 3 224.373 3.291 20 0 BGADHN CCCN(Cc1cnc2cc(C)ccn12)C1CC1 ZINC000133238758 325279038 /nfs/dbraw/zinc/27/90/38/325279038.db2.gz OPJZBRONYJKQFB-UHFFFAOYSA-N 0 3 243.354 3.017 20 0 BGADHN CCCN(Cc1ccc(CC)o1)C1CC1 ZINC000133240169 325278918 /nfs/dbraw/zinc/27/89/18/325278918.db2.gz QKHNWQOLYAZDER-UHFFFAOYSA-N 0 3 207.317 3.216 20 0 BGADHN CCCN(Cc1cc(F)c(F)c(F)c1)C1CC1 ZINC000133242456 325278954 /nfs/dbraw/zinc/27/89/54/325278954.db2.gz PMKNUXPYUJWPBO-UHFFFAOYSA-N 0 3 243.272 3.478 20 0 BGADHN CCCN(Cc1cnc(C2CC2)s1)C1CC1 ZINC000133254850 325279740 /nfs/dbraw/zinc/27/97/40/325279740.db2.gz KSDBGFVISQPICS-UHFFFAOYSA-N 0 3 236.384 3.395 20 0 BGADHN CCCN(Cc1cnn(C(C)(C)C)c1)C1CC1 ZINC000133258077 323018191 /nfs/dbraw/zinc/01/81/91/323018191.db2.gz RALFKQBJMBTPNW-UHFFFAOYSA-N 0 3 235.375 3.013 20 0 BGADHN CCc1ccc(CN[C@H](C)C(C)(C)C)o1 ZINC000133276820 343190219 /nfs/dbraw/zinc/19/02/19/343190219.db2.gz DCUWEYLATWDAEX-SNVBAGLBSA-N 0 3 209.333 3.366 20 0 BGADHN CCOc1cccc(CN(CC)C2CC2)c1 ZINC000133288418 325282011 /nfs/dbraw/zinc/28/20/11/325282011.db2.gz RDHLJHPVKNLTEC-UHFFFAOYSA-N 0 3 219.328 3.070 20 0 BGADHN CCN(Cc1coc2ccccc12)C1CC1 ZINC000133300172 325285278 /nfs/dbraw/zinc/28/52/78/325285278.db2.gz XFXUUEHNHIAPSY-UHFFFAOYSA-N 0 3 215.296 3.417 20 0 BGADHN CCN(Cc1c[nH]nc1-c1cccs1)C1CC1 ZINC000133302441 325285231 /nfs/dbraw/zinc/28/52/31/325285231.db2.gz PGVPWSFEIMSUFQ-UHFFFAOYSA-N 0 3 247.367 3.123 20 0 BGADHN CCN(Cc1cc(F)c(F)c(F)c1)C1CC1 ZINC000133318408 345369979 /nfs/dbraw/zinc/36/99/79/345369979.db2.gz JTGQGTMGZJYZKR-UHFFFAOYSA-N 0 3 229.245 3.088 20 0 BGADHN CCN(Cc1ccccc1OCC1CC1)C1CC1 ZINC000133329591 325287048 /nfs/dbraw/zinc/28/70/48/325287048.db2.gz UJHPMDGOXJXMHA-UHFFFAOYSA-N 0 3 245.366 3.460 20 0 BGADHN CCC[C@@H](C)CNCc1ncc(CC)s1 ZINC000133336774 169360358 /nfs/dbraw/zinc/36/03/58/169360358.db2.gz RIGJTIYIUAJLHB-SNVBAGLBSA-N 0 3 226.389 3.231 20 0 BGADHN CCC[C@H](C)CNCc1ncc(CC)s1 ZINC000133336958 384236765 /nfs/dbraw/zinc/23/67/65/384236765.db2.gz RIGJTIYIUAJLHB-JTQLQIEISA-N 0 3 226.389 3.231 20 0 BGADHN C[C@@H](CC1CCC1)N[C@@H](C)c1nccs1 ZINC000133357906 491151896 /nfs/dbraw/zinc/15/18/96/491151896.db2.gz PNNQQECQUYEMDF-UWVGGRQHSA-N 0 3 224.373 3.372 20 0 BGADHN C[C@H](CC1CCC1)N[C@@H](C)c1nccs1 ZINC000133358104 491151876 /nfs/dbraw/zinc/15/18/76/491151876.db2.gz PNNQQECQUYEMDF-ZJUUUORDSA-N 0 3 224.373 3.372 20 0 BGADHN C[C@@H](N[C@@H](C)CC1CCC1)c1nccs1 ZINC000133358296 491151856 /nfs/dbraw/zinc/15/18/56/491151856.db2.gz PNNQQECQUYEMDF-VHSXEESVSA-N 0 3 224.373 3.372 20 0 BGADHN C[C@H](CC1CCC1)N[C@H](C)c1nccs1 ZINC000133358511 491151902 /nfs/dbraw/zinc/15/19/02/491151902.db2.gz PNNQQECQUYEMDF-NXEZZACHSA-N 0 3 224.373 3.372 20 0 BGADHN Cc1cnc(C(C)(C)NC2CCCC2)s1 ZINC000133380703 384248388 /nfs/dbraw/zinc/24/83/88/384248388.db2.gz LRKHVQHHXRRGBN-UHFFFAOYSA-N 0 3 224.373 3.219 20 0 BGADHN Cc1cnc(C(C)(C)NCC2CCCC2)s1 ZINC000133383156 191040790 /nfs/dbraw/zinc/04/07/90/191040790.db2.gz ZIVCMYSHKIAZBY-UHFFFAOYSA-N 0 3 238.400 3.466 20 0 BGADHN C[C@@H](NCc1c(F)cccc1F)C(C)(C)C ZINC000133399233 343190399 /nfs/dbraw/zinc/19/03/99/343190399.db2.gz LUYPNTNTVDUUSR-SECBINFHSA-N 0 3 227.298 3.489 20 0 BGADHN Cc1nc([C@@H](C)N[C@@H](C)C2CCC2)cs1 ZINC000133401946 344317828 /nfs/dbraw/zinc/31/78/28/344317828.db2.gz PZGYDPDZVBYGEH-DTWKUNHWSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1nc([C@H](C)N[C@@H](C)C2CCC2)cs1 ZINC000133402127 134681149 /nfs/dbraw/zinc/68/11/49/134681149.db2.gz PZGYDPDZVBYGEH-IUCAKERBSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1nc([C@@H](C)N[C@H](C)C2CCC2)cs1 ZINC000133402310 344317845 /nfs/dbraw/zinc/31/78/45/344317845.db2.gz PZGYDPDZVBYGEH-RKDXNWHRSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1nc([C@H](C)N[C@H](C)C2CCC2)cs1 ZINC000133402510 344317764 /nfs/dbraw/zinc/31/77/64/344317764.db2.gz PZGYDPDZVBYGEH-BDAKNGLRSA-N 0 3 224.373 3.291 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1N(C)Cc1cnoc1C ZINC000133421699 323018918 /nfs/dbraw/zinc/01/89/18/323018918.db2.gz HIXSBCRIHGCMAP-OCCSQVGLSA-N 0 3 236.359 3.384 20 0 BGADHN CC[C@H]1CCCC[C@@H]1N(C)Cc1cnoc1C ZINC000133421909 325294618 /nfs/dbraw/zinc/29/46/18/325294618.db2.gz HIXSBCRIHGCMAP-JSGCOSHPSA-N 0 3 236.359 3.384 20 0 BGADHN CC[C@@H]1CCCC[C@H]1N(C)Cc1cnoc1C ZINC000133422076 325294623 /nfs/dbraw/zinc/29/46/23/325294623.db2.gz HIXSBCRIHGCMAP-TZMCWYRMSA-N 0 3 236.359 3.384 20 0 BGADHN CC[C@H]1CCCC[C@H]1N(C)Cc1cnoc1C ZINC000133422275 325294631 /nfs/dbraw/zinc/29/46/31/325294631.db2.gz HIXSBCRIHGCMAP-GXTWGEPZSA-N 0 3 236.359 3.384 20 0 BGADHN CCc1nc(C)c([C@@H](C)N(C)CCCF)s1 ZINC000133483094 345376425 /nfs/dbraw/zinc/37/64/25/345376425.db2.gz JOTPAZCFTFQMED-SNVBAGLBSA-N 0 3 244.379 3.366 20 0 BGADHN CCc1nc(C)c([C@H](C)N(C)CCCF)s1 ZINC000133483319 345376631 /nfs/dbraw/zinc/37/66/31/345376631.db2.gz JOTPAZCFTFQMED-JTQLQIEISA-N 0 3 244.379 3.366 20 0 BGADHN Cc1ccc([O-])c(C[N@H+](C)C2CCC(C)CC2)n1 ZINC000133498391 358756333 /nfs/dbraw/zinc/75/63/33/358756333.db2.gz SOSJDHHFRGMUNM-UHFFFAOYSA-N 0 3 248.370 3.106 20 0 BGADHN Cc1ccc([O-])c(C[N@@H+](C)C2CCC(C)CC2)n1 ZINC000133498391 358756330 /nfs/dbraw/zinc/75/63/30/358756330.db2.gz SOSJDHHFRGMUNM-UHFFFAOYSA-N 0 3 248.370 3.106 20 0 BGADHN CCc1ccc([C@@H](C)NCCc2cccnc2)o1 ZINC000133562138 171830613 /nfs/dbraw/zinc/83/06/13/171830613.db2.gz KVBRDXCQEAOJEJ-GFCCVEGCSA-N 0 3 244.338 3.130 20 0 BGADHN CCc1ccc([C@H](C)NCCc2cccnc2)o1 ZINC000133562339 384301407 /nfs/dbraw/zinc/30/14/07/384301407.db2.gz KVBRDXCQEAOJEJ-LBPRGKRZSA-N 0 3 244.338 3.130 20 0 BGADHN Cc1ccc([O-])c(C[N@@H+](C)CC2CCCCC2)n1 ZINC000133566760 136214136 /nfs/dbraw/zinc/21/41/36/136214136.db2.gz RIPDMDKWDCCVSR-UHFFFAOYSA-N 0 3 248.370 3.108 20 0 BGADHN Cc1ccc([O-])c(C[N@H+](C)CC2CCCCC2)n1 ZINC000133566760 136214135 /nfs/dbraw/zinc/21/41/35/136214135.db2.gz RIPDMDKWDCCVSR-UHFFFAOYSA-N 0 3 248.370 3.108 20 0 BGADHN CCC[C@H](O)CN[C@@H](C)c1ccc(Cl)s1 ZINC000133569315 384255507 /nfs/dbraw/zinc/25/55/07/384255507.db2.gz TZLHYAXNFYJILN-IUCAKERBSA-N 0 3 247.791 3.213 20 0 BGADHN CCC[C@@H](O)CN[C@@H](C)c1ccc(Cl)s1 ZINC000133569520 384255083 /nfs/dbraw/zinc/25/50/83/384255083.db2.gz TZLHYAXNFYJILN-DTWKUNHWSA-N 0 3 247.791 3.213 20 0 BGADHN CCC[C@H](O)CN[C@H](C)c1ccc(Cl)s1 ZINC000133569699 384253311 /nfs/dbraw/zinc/25/33/11/384253311.db2.gz TZLHYAXNFYJILN-BDAKNGLRSA-N 0 3 247.791 3.213 20 0 BGADHN CCC[C@@H](O)CN[C@H](C)c1ccc(Cl)s1 ZINC000133569929 384252830 /nfs/dbraw/zinc/25/28/30/384252830.db2.gz TZLHYAXNFYJILN-RKDXNWHRSA-N 0 3 247.791 3.213 20 0 BGADHN CCC1CCN(Cc2ccc(OC)c(O)c2)CC1 ZINC000133582018 384300780 /nfs/dbraw/zinc/30/07/80/384300780.db2.gz ROBGJZQJCFSJTK-UHFFFAOYSA-N 0 3 249.354 3.023 20 0 BGADHN CCC[C@H](O)CN[C@@H](C)c1cccc(Cl)c1 ZINC000133585854 384299602 /nfs/dbraw/zinc/29/96/02/384299602.db2.gz FYWINXVBWINJPN-GWCFXTLKSA-N 0 3 241.762 3.152 20 0 BGADHN CCC[C@@H](O)CN[C@@H](C)c1cccc(Cl)c1 ZINC000133586081 384300174 /nfs/dbraw/zinc/30/01/74/384300174.db2.gz FYWINXVBWINJPN-GXFFZTMASA-N 0 3 241.762 3.152 20 0 BGADHN CCC[C@H](O)CN[C@H](C)c1cccc(Cl)c1 ZINC000133586287 384300058 /nfs/dbraw/zinc/30/00/58/384300058.db2.gz FYWINXVBWINJPN-MFKMUULPSA-N 0 3 241.762 3.152 20 0 BGADHN CCC[C@@H](O)CN[C@H](C)c1cccc(Cl)c1 ZINC000133586499 384300494 /nfs/dbraw/zinc/30/04/94/384300494.db2.gz FYWINXVBWINJPN-ZWNOBZJWSA-N 0 3 241.762 3.152 20 0 BGADHN CCC(CC)CNCc1ccc(Cl)cn1 ZINC000133598425 591831016 /nfs/dbraw/zinc/83/10/16/591831016.db2.gz CABPBFITQXZUCS-UHFFFAOYSA-N 0 3 226.751 3.261 20 0 BGADHN Clc1ccc(CNC[C@H]2CC=CCC2)nc1 ZINC000133599090 384300591 /nfs/dbraw/zinc/30/05/91/384300591.db2.gz DDIWAJJEUQCJSK-NSHDSACASA-N 0 3 236.746 3.181 20 0 BGADHN Clc1ccc(CNC[C@@H]2CC=CCC2)nc1 ZINC000133599303 384300807 /nfs/dbraw/zinc/30/08/07/384300807.db2.gz DDIWAJJEUQCJSK-LLVKDONJSA-N 0 3 236.746 3.181 20 0 BGADHN Clc1ccc(CNCC2CCCCC2)nc1 ZINC000133600175 591832680 /nfs/dbraw/zinc/83/26/80/591832680.db2.gz SHUDGYBXNVAHFL-UHFFFAOYSA-N 0 3 238.762 3.405 20 0 BGADHN Clc1ccc(CNCC2CCCC2)nc1 ZINC000133606291 591842049 /nfs/dbraw/zinc/84/20/49/591842049.db2.gz BUJUCPMXJNDYEG-UHFFFAOYSA-N 0 3 224.735 3.015 20 0 BGADHN C[C@H](NC[C@H]1C[C@H]1C)c1cccc(F)c1F ZINC000133635870 191042809 /nfs/dbraw/zinc/04/28/09/191042809.db2.gz XJTFCKVJFTWCKF-KXUCPTDWSA-N 0 3 225.282 3.271 20 0 BGADHN C[C@H](NC[C@H]1C[C@@H]1C)c1cccc(F)c1F ZINC000133636092 191042456 /nfs/dbraw/zinc/04/24/56/191042456.db2.gz XJTFCKVJFTWCKF-LPEHRKFASA-N 0 3 225.282 3.271 20 0 BGADHN C[C@H](NC[C@@H]1C[C@H]1C)c1cccc(F)c1F ZINC000133636290 191042236 /nfs/dbraw/zinc/04/22/36/191042236.db2.gz XJTFCKVJFTWCKF-UTLUCORTSA-N 0 3 225.282 3.271 20 0 BGADHN C[C@H](NC[C@@H]1C[C@@H]1C)c1cccc(F)c1F ZINC000133636506 191042313 /nfs/dbraw/zinc/04/23/13/191042313.db2.gz XJTFCKVJFTWCKF-GUBZILKMSA-N 0 3 225.282 3.271 20 0 BGADHN CSC[C@H](C)N[C@@H](C)c1cccc(F)c1F ZINC000133640768 384304820 /nfs/dbraw/zinc/30/48/20/384304820.db2.gz QYRNUIPCWOFPPN-IUCAKERBSA-N 0 3 245.338 3.367 20 0 BGADHN CSC[C@@H](C)N[C@@H](C)c1cccc(F)c1F ZINC000133640966 384305258 /nfs/dbraw/zinc/30/52/58/384305258.db2.gz QYRNUIPCWOFPPN-BDAKNGLRSA-N 0 3 245.338 3.367 20 0 BGADHN CSC[C@H](C)N[C@H](C)c1cccc(F)c1F ZINC000133641175 384305248 /nfs/dbraw/zinc/30/52/48/384305248.db2.gz QYRNUIPCWOFPPN-DTWKUNHWSA-N 0 3 245.338 3.367 20 0 BGADHN CSC[C@@H](C)N[C@H](C)c1cccc(F)c1F ZINC000133641371 384305237 /nfs/dbraw/zinc/30/52/37/384305237.db2.gz QYRNUIPCWOFPPN-RKDXNWHRSA-N 0 3 245.338 3.367 20 0 BGADHN C[C@H](NC1CC=CC1)c1cccc(F)c1F ZINC000133644509 491158409 /nfs/dbraw/zinc/15/84/09/491158409.db2.gz ZPAUSKAHKNINKC-VIFPVBQESA-N 0 3 223.266 3.334 20 0 BGADHN C[C@@H](NC1CC=CC1)c1cccc(F)c1F ZINC000133644710 491158385 /nfs/dbraw/zinc/15/83/85/491158385.db2.gz ZPAUSKAHKNINKC-SECBINFHSA-N 0 3 223.266 3.334 20 0 BGADHN C[C@H](NC1CC(C)C1)c1cccc(F)c1F ZINC000133648757 168146418 /nfs/dbraw/zinc/14/64/18/168146418.db2.gz ZANYVRQIDJAZHU-KYHHOPLUSA-N 0 3 225.282 3.414 20 0 BGADHN C[C@@H](NC1CC(C)C1)c1cccc(F)c1F ZINC000133648941 168147844 /nfs/dbraw/zinc/14/78/44/168147844.db2.gz ZANYVRQIDJAZHU-HWOCKDDLSA-N 0 3 225.282 3.414 20 0 BGADHN CS[C@@H](C)CN[C@@H](C)c1cccc(F)c1F ZINC000133649967 398341592 /nfs/dbraw/zinc/34/15/92/398341592.db2.gz ZBJDOEAUNJKWQD-IUCAKERBSA-N 0 3 245.338 3.367 20 0 BGADHN CS[C@H](C)CN[C@@H](C)c1cccc(F)c1F ZINC000133650170 398341573 /nfs/dbraw/zinc/34/15/73/398341573.db2.gz ZBJDOEAUNJKWQD-BDAKNGLRSA-N 0 3 245.338 3.367 20 0 BGADHN CS[C@@H](C)CN[C@H](C)c1cccc(F)c1F ZINC000133650383 398341673 /nfs/dbraw/zinc/34/16/73/398341673.db2.gz ZBJDOEAUNJKWQD-DTWKUNHWSA-N 0 3 245.338 3.367 20 0 BGADHN CS[C@H](C)CN[C@H](C)c1cccc(F)c1F ZINC000133650591 398341577 /nfs/dbraw/zinc/34/15/77/398341577.db2.gz ZBJDOEAUNJKWQD-RKDXNWHRSA-N 0 3 245.338 3.367 20 0 BGADHN CSCCCCN[C@@H](C)c1ccco1 ZINC000133682448 191042047 /nfs/dbraw/zinc/04/20/47/191042047.db2.gz ZNMDYCMXVLHBPM-JTQLQIEISA-N 0 3 213.346 3.073 20 0 BGADHN CSCCCCN[C@H](C)c1ccco1 ZINC000133682641 191041252 /nfs/dbraw/zinc/04/12/52/191041252.db2.gz ZNMDYCMXVLHBPM-SNVBAGLBSA-N 0 3 213.346 3.073 20 0 BGADHN Cc1noc(C)c1[C@@H](C)N[C@@H](C)CC1CC1 ZINC000133686230 491159988 /nfs/dbraw/zinc/15/99/88/491159988.db2.gz DBNXVXAWTAZLER-DTWKUNHWSA-N 0 3 222.332 3.131 20 0 BGADHN Cc1noc(C)c1[C@H](C)N[C@@H](C)CC1CC1 ZINC000133686430 491160017 /nfs/dbraw/zinc/16/00/17/491160017.db2.gz DBNXVXAWTAZLER-IUCAKERBSA-N 0 3 222.332 3.131 20 0 BGADHN Cc1noc(C)c1[C@@H](C)N[C@H](C)CC1CC1 ZINC000133686659 491160023 /nfs/dbraw/zinc/16/00/23/491160023.db2.gz DBNXVXAWTAZLER-RKDXNWHRSA-N 0 3 222.332 3.131 20 0 BGADHN Cc1noc(C)c1[C@H](C)N[C@H](C)CC1CC1 ZINC000133686883 491160001 /nfs/dbraw/zinc/16/00/01/491160001.db2.gz DBNXVXAWTAZLER-BDAKNGLRSA-N 0 3 222.332 3.131 20 0 BGADHN COc1ccc(CN2CCC[C@@H](C)[C@H]2C)cc1O ZINC000133713932 384308444 /nfs/dbraw/zinc/30/84/44/384308444.db2.gz ZPYQVJRMVVDSOD-VXGBXAGGSA-N 0 3 249.354 3.021 20 0 BGADHN COc1ccc(CN2CCC[C@H](C)[C@H]2C)cc1O ZINC000133714124 175099259 /nfs/dbraw/zinc/09/92/59/175099259.db2.gz ZPYQVJRMVVDSOD-NWDGAFQWSA-N 0 3 249.354 3.021 20 0 BGADHN C[C@@H](C1CC1)N(C)Cc1nc2cc(F)ccc2o1 ZINC000133716687 344861193 /nfs/dbraw/zinc/86/11/93/344861193.db2.gz YJSPECHLOORHCP-VIFPVBQESA-N 0 3 248.301 3.197 20 0 BGADHN C[C@H](C1CC1)N(C)Cc1nc2cc(F)ccc2o1 ZINC000133716918 344861299 /nfs/dbraw/zinc/86/12/99/344861299.db2.gz YJSPECHLOORHCP-SECBINFHSA-N 0 3 248.301 3.197 20 0 BGADHN CSCCCCN[C@H](C)c1ccc(C)o1 ZINC000133722579 191042915 /nfs/dbraw/zinc/04/29/15/191042915.db2.gz WIECAMNYPHRWIN-LLVKDONJSA-N 0 3 227.373 3.382 20 0 BGADHN CSCCCCN[C@@H](C)c1ccc(C)o1 ZINC000133722731 191043009 /nfs/dbraw/zinc/04/30/09/191043009.db2.gz WIECAMNYPHRWIN-NSHDSACASA-N 0 3 227.373 3.382 20 0 BGADHN CC(C)[C@H](O)CN[C@@H](C)c1ccc(Cl)s1 ZINC000133723312 188145409 /nfs/dbraw/zinc/14/54/09/188145409.db2.gz CNOHFWFZALKONK-DTWKUNHWSA-N 0 3 247.791 3.069 20 0 BGADHN CC(C)[C@@H](O)CN[C@@H](C)c1ccc(Cl)s1 ZINC000133723539 384269697 /nfs/dbraw/zinc/26/96/97/384269697.db2.gz CNOHFWFZALKONK-IUCAKERBSA-N 0 3 247.791 3.069 20 0 BGADHN CC(C)[C@H](O)CN[C@H](C)c1ccc(Cl)s1 ZINC000133723763 384270035 /nfs/dbraw/zinc/27/00/35/384270035.db2.gz CNOHFWFZALKONK-RKDXNWHRSA-N 0 3 247.791 3.069 20 0 BGADHN CC(C)[C@@H](O)CN[C@H](C)c1ccc(Cl)s1 ZINC000133723959 384270478 /nfs/dbraw/zinc/27/04/78/384270478.db2.gz CNOHFWFZALKONK-BDAKNGLRSA-N 0 3 247.791 3.069 20 0 BGADHN COc1ccc(CN2CC[C@@H](C)C[C@H]2C)cc1O ZINC000133734376 175101333 /nfs/dbraw/zinc/10/13/33/175101333.db2.gz HHQLBLJKXCPEAW-VXGBXAGGSA-N 0 3 249.354 3.021 20 0 BGADHN COc1ccc(CN2CC[C@H](C)C[C@H]2C)cc1O ZINC000133734569 384311602 /nfs/dbraw/zinc/31/16/02/384311602.db2.gz HHQLBLJKXCPEAW-NWDGAFQWSA-N 0 3 249.354 3.021 20 0 BGADHN CCC[C@@H](C)N[C@@H](C)c1ccc(F)cn1 ZINC000133786717 538111156 /nfs/dbraw/zinc/11/11/56/538111156.db2.gz MXDMBIMQEVYXRK-ZJUUUORDSA-N 0 3 210.296 3.060 20 0 BGADHN CCC[C@H](C)N[C@@H](C)c1ccc(F)cn1 ZINC000133786889 538111172 /nfs/dbraw/zinc/11/11/72/538111172.db2.gz MXDMBIMQEVYXRK-UWVGGRQHSA-N 0 3 210.296 3.060 20 0 BGADHN CCC[C@@H](C)N[C@H](C)c1ccc(F)cn1 ZINC000133787094 538111174 /nfs/dbraw/zinc/11/11/74/538111174.db2.gz MXDMBIMQEVYXRK-NXEZZACHSA-N 0 3 210.296 3.060 20 0 BGADHN CCC[C@H](C)N[C@H](C)c1ccc(F)cn1 ZINC000133787264 538111153 /nfs/dbraw/zinc/11/11/53/538111153.db2.gz MXDMBIMQEVYXRK-VHSXEESVSA-N 0 3 210.296 3.060 20 0 BGADHN CCCN1CCc2c(Cl)cccc2C1 ZINC000133789033 358768280 /nfs/dbraw/zinc/76/82/80/358768280.db2.gz RVCXWICOLBQQTN-UHFFFAOYSA-N 0 3 209.720 3.108 20 0 BGADHN C[C@H](NCC1CCCC1)c1ccc(F)cn1 ZINC000133869087 384316588 /nfs/dbraw/zinc/31/65/88/384316588.db2.gz JFLMBOJWYRFBPB-JTQLQIEISA-N 0 3 222.307 3.062 20 0 BGADHN C[C@@H](NCC1CCCC1)c1ccc(F)cn1 ZINC000133869281 384316714 /nfs/dbraw/zinc/31/67/14/384316714.db2.gz JFLMBOJWYRFBPB-SNVBAGLBSA-N 0 3 222.307 3.062 20 0 BGADHN C[C@H](NCC1CCCCC1)c1ccc(F)cn1 ZINC000133869416 325325895 /nfs/dbraw/zinc/32/58/95/325325895.db2.gz SRCFFVSEWVKVMV-NSHDSACASA-N 0 3 236.334 3.452 20 0 BGADHN C[C@@H](NCC1CCCCC1)c1ccc(F)cn1 ZINC000133869601 325326224 /nfs/dbraw/zinc/32/62/24/325326224.db2.gz SRCFFVSEWVKVMV-LLVKDONJSA-N 0 3 236.334 3.452 20 0 BGADHN C[C@@H](Cc1ccco1)N[C@@H](C)c1ccc(F)cn1 ZINC000133897143 591868012 /nfs/dbraw/zinc/86/80/12/591868012.db2.gz SLXUEXQMTNBKCX-QWRGUYRKSA-N 0 3 248.301 3.096 20 0 BGADHN C[C@H](Cc1ccco1)N[C@@H](C)c1ccc(F)cn1 ZINC000133897337 591868254 /nfs/dbraw/zinc/86/82/54/591868254.db2.gz SLXUEXQMTNBKCX-MNOVXSKESA-N 0 3 248.301 3.096 20 0 BGADHN C[C@@H](N[C@@H](C)Cc1ccco1)c1ccc(F)cn1 ZINC000133897557 591867210 /nfs/dbraw/zinc/86/72/10/591867210.db2.gz SLXUEXQMTNBKCX-WDEREUQCSA-N 0 3 248.301 3.096 20 0 BGADHN C[C@H](Cc1ccco1)N[C@H](C)c1ccc(F)cn1 ZINC000133897753 591867594 /nfs/dbraw/zinc/86/75/94/591867594.db2.gz SLXUEXQMTNBKCX-GHMZBOCLSA-N 0 3 248.301 3.096 20 0 BGADHN Cc1ccc(CN2CCCC(C)(C)C2)nc1 ZINC000133902362 358771883 /nfs/dbraw/zinc/77/18/83/358771883.db2.gz DJPSVNQGNQRVLC-UHFFFAOYSA-N 0 3 218.344 3.012 20 0 BGADHN COc1cccc(Cl)c1CNC1CCCC1 ZINC000133904708 325328113 /nfs/dbraw/zinc/32/81/13/325328113.db2.gz RRGQGYTWMXLNIS-UHFFFAOYSA-N 0 3 239.746 3.381 20 0 BGADHN CSCCCCN[C@@H](C)c1ccoc1 ZINC000133928918 325331329 /nfs/dbraw/zinc/33/13/29/325331329.db2.gz YPQUWKRTPKHUJI-JTQLQIEISA-N 0 3 213.346 3.073 20 0 BGADHN CSCCCCN[C@H](C)c1ccoc1 ZINC000133929114 325332019 /nfs/dbraw/zinc/33/20/19/325332019.db2.gz YPQUWKRTPKHUJI-SNVBAGLBSA-N 0 3 213.346 3.073 20 0 BGADHN COc1ccc(CN2CCC(C)(C)CC2)cc1O ZINC000133932944 358773254 /nfs/dbraw/zinc/77/32/54/358773254.db2.gz TWYHGARLMQAFHI-UHFFFAOYSA-N 0 3 249.354 3.023 20 0 BGADHN COc1ccccc1[C@H](C)N[C@@H](C)CSC ZINC000133959268 175352463 /nfs/dbraw/zinc/35/24/63/175352463.db2.gz JZROJMCDBNXJRA-QWRGUYRKSA-N 0 3 239.384 3.097 20 0 BGADHN COc1ccccc1[C@H](C)N[C@H](C)CSC ZINC000133959437 175352382 /nfs/dbraw/zinc/35/23/82/175352382.db2.gz JZROJMCDBNXJRA-MNOVXSKESA-N 0 3 239.384 3.097 20 0 BGADHN COc1ccccc1[C@@H](C)N[C@@H](C)CSC ZINC000133959663 175345986 /nfs/dbraw/zinc/34/59/86/175345986.db2.gz JZROJMCDBNXJRA-WDEREUQCSA-N 0 3 239.384 3.097 20 0 BGADHN COc1ccccc1[C@@H](C)N[C@H](C)CSC ZINC000133959894 175346117 /nfs/dbraw/zinc/34/61/17/175346117.db2.gz JZROJMCDBNXJRA-GHMZBOCLSA-N 0 3 239.384 3.097 20 0 BGADHN CCC1(C)CC[NH+](Cc2nc(C)ccc2[O-])CC1 ZINC000133972790 358774036 /nfs/dbraw/zinc/77/40/36/358774036.db2.gz UTTVZDVTZAXZOO-UHFFFAOYSA-N 0 3 248.370 3.108 20 0 BGADHN CSC[C@H](C)N[C@@H](C)c1cc(F)cc(F)c1 ZINC000133974714 384323021 /nfs/dbraw/zinc/32/30/21/384323021.db2.gz NENODCGAMVXADK-IUCAKERBSA-N 0 3 245.338 3.367 20 0 BGADHN CSC[C@@H](C)N[C@@H](C)c1cc(F)cc(F)c1 ZINC000133974936 384323276 /nfs/dbraw/zinc/32/32/76/384323276.db2.gz NENODCGAMVXADK-BDAKNGLRSA-N 0 3 245.338 3.367 20 0 BGADHN CSC[C@H](C)N[C@H](C)c1cc(F)cc(F)c1 ZINC000133975133 384322486 /nfs/dbraw/zinc/32/24/86/384322486.db2.gz NENODCGAMVXADK-DTWKUNHWSA-N 0 3 245.338 3.367 20 0 BGADHN CSC[C@@H](C)N[C@H](C)c1cc(F)cc(F)c1 ZINC000133975378 384322535 /nfs/dbraw/zinc/32/25/35/384322535.db2.gz NENODCGAMVXADK-RKDXNWHRSA-N 0 3 245.338 3.367 20 0 BGADHN CSC[C@H](C)N[C@H](C)c1sc(C)nc1C ZINC000133975575 388473247 /nfs/dbraw/zinc/47/32/47/388473247.db2.gz WZSZLJBYIAHLTB-JGVFFNPUSA-N 0 3 244.429 3.162 20 0 BGADHN CSC[C@H](C)N[C@@H](C)c1sc(C)nc1C ZINC000133975750 388472806 /nfs/dbraw/zinc/47/28/06/388472806.db2.gz WZSZLJBYIAHLTB-YUMQZZPRSA-N 0 3 244.429 3.162 20 0 BGADHN CSC[C@@H](C)N[C@H](C)c1sc(C)nc1C ZINC000133975972 387801261 /nfs/dbraw/zinc/80/12/61/387801261.db2.gz WZSZLJBYIAHLTB-HTQZYQBOSA-N 0 3 244.429 3.162 20 0 BGADHN CSC[C@@H](C)N[C@@H](C)c1sc(C)nc1C ZINC000133976201 388473132 /nfs/dbraw/zinc/47/31/32/388473132.db2.gz WZSZLJBYIAHLTB-SFYZADRCSA-N 0 3 244.429 3.162 20 0 BGADHN CCC1(C)CCN(Cc2cccc(O)c2)CC1 ZINC000133979710 358774076 /nfs/dbraw/zinc/77/40/76/358774076.db2.gz SRSLKBAUPIUNLL-UHFFFAOYSA-N 0 3 233.355 3.404 20 0 BGADHN CCC[C@@H](CC)N[C@@H](C)c1ccc(F)cn1 ZINC000134003918 169379824 /nfs/dbraw/zinc/37/98/24/169379824.db2.gz BXHAGWCQHDQHAB-CMPLNLGQSA-N 0 3 224.323 3.450 20 0 BGADHN CCC[C@H](CC)N[C@@H](C)c1ccc(F)cn1 ZINC000134004105 384325414 /nfs/dbraw/zinc/32/54/14/384325414.db2.gz BXHAGWCQHDQHAB-JQWIXIFHSA-N 0 3 224.323 3.450 20 0 BGADHN CCC[C@@H](CC)N[C@H](C)c1ccc(F)cn1 ZINC000134004307 169380042 /nfs/dbraw/zinc/38/00/42/169380042.db2.gz BXHAGWCQHDQHAB-ZYHUDNBSSA-N 0 3 224.323 3.450 20 0 BGADHN CCC[C@H](CC)N[C@H](C)c1ccc(F)cn1 ZINC000134004528 191107087 /nfs/dbraw/zinc/10/70/87/191107087.db2.gz BXHAGWCQHDQHAB-PWSUYJOCSA-N 0 3 224.323 3.450 20 0 BGADHN CC(C)[C@@H](C)CN[C@@H](C)c1ccc(F)cn1 ZINC000134056964 325340111 /nfs/dbraw/zinc/34/01/11/325340111.db2.gz GGSYFEOEKCFNLW-QWRGUYRKSA-N 0 3 224.323 3.163 20 0 BGADHN CC(C)[C@H](C)CN[C@@H](C)c1ccc(F)cn1 ZINC000134057173 325339949 /nfs/dbraw/zinc/33/99/49/325339949.db2.gz GGSYFEOEKCFNLW-MNOVXSKESA-N 0 3 224.323 3.163 20 0 BGADHN CC(C)[C@@H](C)CN[C@H](C)c1ccc(F)cn1 ZINC000134057374 325340271 /nfs/dbraw/zinc/34/02/71/325340271.db2.gz GGSYFEOEKCFNLW-WDEREUQCSA-N 0 3 224.323 3.163 20 0 BGADHN CC(C)[C@H](C)CN[C@H](C)c1ccc(F)cn1 ZINC000134057586 325340298 /nfs/dbraw/zinc/34/02/98/325340298.db2.gz GGSYFEOEKCFNLW-GHMZBOCLSA-N 0 3 224.323 3.163 20 0 BGADHN CSCC[C@H](C)N[C@H](C)c1ccc(C)o1 ZINC000134073934 591882477 /nfs/dbraw/zinc/88/24/77/591882477.db2.gz ODSPFMMZTZXQMK-GXSJLCMTSA-N 0 3 227.373 3.380 20 0 BGADHN CSCC[C@H](C)N[C@@H](C)c1ccc(C)o1 ZINC000134074149 591882220 /nfs/dbraw/zinc/88/22/20/591882220.db2.gz ODSPFMMZTZXQMK-ONGXEEELSA-N 0 3 227.373 3.380 20 0 BGADHN CSCC[C@@H](C)N[C@H](C)c1ccc(C)o1 ZINC000134074378 591882238 /nfs/dbraw/zinc/88/22/38/591882238.db2.gz ODSPFMMZTZXQMK-MWLCHTKSSA-N 0 3 227.373 3.380 20 0 BGADHN CSCC[C@@H](C)N[C@@H](C)c1ccc(C)o1 ZINC000134074605 591881537 /nfs/dbraw/zinc/88/15/37/591881537.db2.gz ODSPFMMZTZXQMK-KOLCDFICSA-N 0 3 227.373 3.380 20 0 BGADHN CSCC[C@H](C)N[C@@H](C)c1ccoc1 ZINC000134077774 591882329 /nfs/dbraw/zinc/88/23/29/591882329.db2.gz KGYFDLPWMDOBHB-UWVGGRQHSA-N 0 3 213.346 3.072 20 0 BGADHN CSCC[C@@H](C)N[C@@H](C)c1ccoc1 ZINC000134077989 591881949 /nfs/dbraw/zinc/88/19/49/591881949.db2.gz KGYFDLPWMDOBHB-ZJUUUORDSA-N 0 3 213.346 3.072 20 0 BGADHN CSCC[C@H](C)N[C@H](C)c1ccoc1 ZINC000134078174 591881899 /nfs/dbraw/zinc/88/18/99/591881899.db2.gz KGYFDLPWMDOBHB-VHSXEESVSA-N 0 3 213.346 3.072 20 0 BGADHN CSCC[C@@H](C)N[C@H](C)c1ccoc1 ZINC000134078392 591881994 /nfs/dbraw/zinc/88/19/94/591881994.db2.gz KGYFDLPWMDOBHB-NXEZZACHSA-N 0 3 213.346 3.072 20 0 BGADHN CC[C@H](N[C@@H](C)CC1CC1)c1nccs1 ZINC000134092040 325342600 /nfs/dbraw/zinc/34/26/00/325342600.db2.gz WNFLCTVOIMIAPJ-ONGXEEELSA-N 0 3 224.373 3.372 20 0 BGADHN CC[C@@H](N[C@@H](C)CC1CC1)c1nccs1 ZINC000134092230 323414283 /nfs/dbraw/zinc/41/42/83/323414283.db2.gz WNFLCTVOIMIAPJ-GXSJLCMTSA-N 0 3 224.373 3.372 20 0 BGADHN CC[C@H](N[C@H](C)CC1CC1)c1nccs1 ZINC000134092429 325342750 /nfs/dbraw/zinc/34/27/50/325342750.db2.gz WNFLCTVOIMIAPJ-KOLCDFICSA-N 0 3 224.373 3.372 20 0 BGADHN CC[C@@H](N[C@H](C)CC1CC1)c1nccs1 ZINC000134092664 325342202 /nfs/dbraw/zinc/34/22/02/325342202.db2.gz WNFLCTVOIMIAPJ-MWLCHTKSSA-N 0 3 224.373 3.372 20 0 BGADHN CCc1ccc([C@@H](C)NCCOC(C)C)s1 ZINC000134095202 384331523 /nfs/dbraw/zinc/33/15/23/384331523.db2.gz BXPXRCGHZUZUOT-LLVKDONJSA-N 0 3 241.400 3.386 20 0 BGADHN CCc1ccc([C@H](C)NCCOC(C)C)s1 ZINC000134095395 384330062 /nfs/dbraw/zinc/33/00/62/384330062.db2.gz BXPXRCGHZUZUOT-NSHDSACASA-N 0 3 241.400 3.386 20 0 BGADHN Cc1ccsc1[C@@H](C)NCCOC(C)C ZINC000134105720 388474467 /nfs/dbraw/zinc/47/44/67/388474467.db2.gz YTBXHITUPYGUEE-LLVKDONJSA-N 0 3 227.373 3.132 20 0 BGADHN Cc1ccsc1[C@H](C)NCCOC(C)C ZINC000134105924 179554336 /nfs/dbraw/zinc/55/43/36/179554336.db2.gz YTBXHITUPYGUEE-NSHDSACASA-N 0 3 227.373 3.132 20 0 BGADHN CSCCN(C)Cc1cccc2cccnc21 ZINC000134194016 358782936 /nfs/dbraw/zinc/78/29/36/358782936.db2.gz RGTMFZKGFNEKMJ-UHFFFAOYSA-N 0 3 246.379 3.030 20 0 BGADHN COc1cccc(CNCCC2CCC2)c1F ZINC000134203282 591901563 /nfs/dbraw/zinc/90/15/63/591901563.db2.gz KGPOQDXPRJGKOP-UHFFFAOYSA-N 0 3 237.318 3.114 20 0 BGADHN C[C@@H](CCC(C)(C)C)N[C@@H](C)c1cnccn1 ZINC000134208860 384265412 /nfs/dbraw/zinc/26/54/12/384265412.db2.gz NJCMGRKOHHUNLE-RYUDHWBXSA-N 0 3 235.375 3.342 20 0 BGADHN C[C@H](CCC(C)(C)C)N[C@@H](C)c1cnccn1 ZINC000134208974 388474916 /nfs/dbraw/zinc/47/49/16/388474916.db2.gz NJCMGRKOHHUNLE-NEPJUHHUSA-N 0 3 235.375 3.342 20 0 BGADHN C[C@@H](N[C@@H](C)CCC(C)(C)C)c1cnccn1 ZINC000134209083 388475038 /nfs/dbraw/zinc/47/50/38/388475038.db2.gz NJCMGRKOHHUNLE-NWDGAFQWSA-N 0 3 235.375 3.342 20 0 BGADHN C[C@H](CCC(C)(C)C)N[C@H](C)c1cnccn1 ZINC000134209194 384339507 /nfs/dbraw/zinc/33/95/07/384339507.db2.gz NJCMGRKOHHUNLE-VXGBXAGGSA-N 0 3 235.375 3.342 20 0 BGADHN Clc1oc2ccccc2c1CNC1CC1 ZINC000134223210 388475263 /nfs/dbraw/zinc/47/52/63/388475263.db2.gz MBXUUVDILUGJHP-UHFFFAOYSA-N 0 3 221.687 3.338 20 0 BGADHN CCNCc1c(Cl)oc2ccccc21 ZINC000134223481 372182662 /nfs/dbraw/zinc/18/26/62/372182662.db2.gz PMCGKNVTUIZSII-UHFFFAOYSA-N 0 3 209.676 3.196 20 0 BGADHN CC[C@@H](C)NC1(c2ccccc2F)CC1 ZINC000134266316 388475378 /nfs/dbraw/zinc/47/53/78/388475378.db2.gz MUWNHOUIBWKQHC-SNVBAGLBSA-N 0 3 207.292 3.203 20 0 BGADHN CC[C@H](C)NC1(c2ccccc2F)CC1 ZINC000134266335 171339883 /nfs/dbraw/zinc/33/98/83/171339883.db2.gz MUWNHOUIBWKQHC-JTQLQIEISA-N 0 3 207.292 3.203 20 0 BGADHN CC(C)[C@@H](C)NC1(c2ccccc2F)CC1 ZINC000134266363 325351555 /nfs/dbraw/zinc/35/15/55/325351555.db2.gz KLFGBSNHDVJJGA-LLVKDONJSA-N 0 3 221.319 3.449 20 0 BGADHN CC(C)[C@H](C)NC1(c2ccccc2F)CC1 ZINC000134266386 325351610 /nfs/dbraw/zinc/35/16/10/325351610.db2.gz KLFGBSNHDVJJGA-NSHDSACASA-N 0 3 221.319 3.449 20 0 BGADHN CCC[C@@H](C)NC(C)(C)c1ncc(C)s1 ZINC000134276598 169369194 /nfs/dbraw/zinc/36/91/94/169369194.db2.gz ORDBDEKDKXUJKW-SECBINFHSA-N 0 3 226.389 3.465 20 0 BGADHN CCC[C@H](C)NC(C)(C)c1ncc(C)s1 ZINC000134276617 388476098 /nfs/dbraw/zinc/47/60/98/388476098.db2.gz ORDBDEKDKXUJKW-VIFPVBQESA-N 0 3 226.389 3.465 20 0 BGADHN CC[C@@H](C)NC(C)(C)c1ncc(C)s1 ZINC000134276847 388476531 /nfs/dbraw/zinc/47/65/31/388476531.db2.gz ASYASJJPMDLFMZ-MRVPVSSYSA-N 0 3 212.362 3.075 20 0 BGADHN CC[C@H](C)NC(C)(C)c1ncc(C)s1 ZINC000134276870 171339070 /nfs/dbraw/zinc/33/90/70/171339070.db2.gz ASYASJJPMDLFMZ-QMMMGPOBSA-N 0 3 212.362 3.075 20 0 BGADHN c1cc(CNCCCCc2ccccc2)co1 ZINC000134283226 591911278 /nfs/dbraw/zinc/91/12/78/591911278.db2.gz GBNUBLACRYSTMB-UHFFFAOYSA-N 0 3 229.323 3.392 20 0 BGADHN c1cc2c(cccc2CNCc2ccoc2)[nH]1 ZINC000134284768 325352379 /nfs/dbraw/zinc/35/23/79/325352379.db2.gz BZCDOWBSHGNIJI-UHFFFAOYSA-N 0 3 226.279 3.051 20 0 BGADHN Cn1nc(CNCCC(C)(C)C)c2ccccc21 ZINC000134285517 372191395 /nfs/dbraw/zinc/19/13/95/372191395.db2.gz YGANBXLBFVPMOV-UHFFFAOYSA-N 0 3 245.370 3.099 20 0 BGADHN COc1ncccc1CNCCCCC(C)C ZINC000134301675 591913719 /nfs/dbraw/zinc/91/37/19/591913719.db2.gz QOYZUWQOWXNBSN-UHFFFAOYSA-N 0 3 236.359 3.006 20 0 BGADHN c1nc(C2CC2)sc1CNCCCC1CC1 ZINC000134343245 538111828 /nfs/dbraw/zinc/11/18/28/538111828.db2.gz HHEIGKRZMBKAHR-UHFFFAOYSA-N 0 3 236.384 3.300 20 0 BGADHN CC[C@H](Nc1cc(C)cc(C)n1)C1CC1 ZINC000134351108 566327031 /nfs/dbraw/zinc/32/70/31/566327031.db2.gz XRIMSSVBYBPXNU-LBPRGKRZSA-N 0 3 204.317 3.299 20 0 BGADHN CC[C@@H](Nc1cc(C)cc(C)n1)C1CC1 ZINC000134351124 566327052 /nfs/dbraw/zinc/32/70/52/566327052.db2.gz XRIMSSVBYBPXNU-GFCCVEGCSA-N 0 3 204.317 3.299 20 0 BGADHN C[C@@H](N[C@@H]1CCO[C@@H]1C)c1ccc(Cl)cc1 ZINC000134398819 384353041 /nfs/dbraw/zinc/35/30/41/384353041.db2.gz RDLNKFMSXZEVLS-GIPNMCIBSA-N 0 3 239.746 3.168 20 0 BGADHN C[C@@H](N[C@@H]1CCO[C@H]1C)c1ccc(Cl)cc1 ZINC000134398840 325357382 /nfs/dbraw/zinc/35/73/82/325357382.db2.gz RDLNKFMSXZEVLS-GBIKHYSHSA-N 0 3 239.746 3.168 20 0 BGADHN C[C@@H](N[C@H]1CCO[C@@H]1C)c1ccc(Cl)cc1 ZINC000134398863 323024057 /nfs/dbraw/zinc/02/40/57/323024057.db2.gz RDLNKFMSXZEVLS-BREBYQMCSA-N 0 3 239.746 3.168 20 0 BGADHN C[C@@H](N[C@H]1CCO[C@H]1C)c1ccc(Cl)cc1 ZINC000134398886 325357227 /nfs/dbraw/zinc/35/72/27/325357227.db2.gz RDLNKFMSXZEVLS-NRUUGDAUSA-N 0 3 239.746 3.168 20 0 BGADHN CCC1(CNCc2ccc(C)cn2)CCC1 ZINC000134399131 325357182 /nfs/dbraw/zinc/35/71/82/325357182.db2.gz RRXGYMBDNAZRLB-UHFFFAOYSA-N 0 3 218.344 3.060 20 0 BGADHN C[C@@H](N[C@@H]1CCO[C@@H]1C)c1cccc(Cl)c1 ZINC000134399629 175916895 /nfs/dbraw/zinc/91/68/95/175916895.db2.gz OXZHWARTDVGFQH-GIPNMCIBSA-N 0 3 239.746 3.168 20 0 BGADHN C[C@@H](N[C@@H]1CCO[C@H]1C)c1cccc(Cl)c1 ZINC000134399650 325357418 /nfs/dbraw/zinc/35/74/18/325357418.db2.gz OXZHWARTDVGFQH-GBIKHYSHSA-N 0 3 239.746 3.168 20 0 BGADHN C[C@@H](N[C@H]1CCO[C@@H]1C)c1cccc(Cl)c1 ZINC000134399670 325357442 /nfs/dbraw/zinc/35/74/42/325357442.db2.gz OXZHWARTDVGFQH-BREBYQMCSA-N 0 3 239.746 3.168 20 0 BGADHN C[C@@H](N[C@H]1CCO[C@H]1C)c1cccc(Cl)c1 ZINC000134399690 323024024 /nfs/dbraw/zinc/02/40/24/323024024.db2.gz OXZHWARTDVGFQH-NRUUGDAUSA-N 0 3 239.746 3.168 20 0 BGADHN C[C@@H](N[C@@H]1CCO[C@@H]1C)c1ccccc1Cl ZINC000134400036 384352866 /nfs/dbraw/zinc/35/28/66/384352866.db2.gz PNNGXVSTUJYRAH-GIPNMCIBSA-N 0 3 239.746 3.168 20 0 BGADHN C[C@@H](N[C@@H]1CCO[C@H]1C)c1ccccc1Cl ZINC000134400056 323024059 /nfs/dbraw/zinc/02/40/59/323024059.db2.gz PNNGXVSTUJYRAH-GBIKHYSHSA-N 0 3 239.746 3.168 20 0 BGADHN C[C@@H](N[C@H]1CCO[C@@H]1C)c1ccccc1Cl ZINC000134400078 325357470 /nfs/dbraw/zinc/35/74/70/325357470.db2.gz PNNGXVSTUJYRAH-BREBYQMCSA-N 0 3 239.746 3.168 20 0 BGADHN C[C@@H](N[C@H]1CCO[C@H]1C)c1ccccc1Cl ZINC000134400093 325357294 /nfs/dbraw/zinc/35/72/94/325357294.db2.gz PNNGXVSTUJYRAH-NRUUGDAUSA-N 0 3 239.746 3.168 20 0 BGADHN CCCC1(CNCc2ccc(C)cn2)CC1 ZINC000134413279 325357848 /nfs/dbraw/zinc/35/78/48/325357848.db2.gz ZSOGIUPIDGDURK-UHFFFAOYSA-N 0 3 218.344 3.060 20 0 BGADHN c1cc(CNC2CC(c3ccccc3)C2)co1 ZINC000134416144 183390587 /nfs/dbraw/zinc/39/05/87/183390587.db2.gz BTKPAERIQKJYPL-UHFFFAOYSA-N 0 3 227.307 3.315 20 0 BGADHN C[C@H](NCc1cn2ccsc2n1)C1CCCC1 ZINC000134441355 176881651 /nfs/dbraw/zinc/88/16/51/176881651.db2.gz VPSLAXZDDACGNV-JTQLQIEISA-N 0 3 249.383 3.064 20 0 BGADHN C[C@@H](NCc1cn2ccsc2n1)C1CCCC1 ZINC000134441374 384357424 /nfs/dbraw/zinc/35/74/24/384357424.db2.gz VPSLAXZDDACGNV-SNVBAGLBSA-N 0 3 249.383 3.064 20 0 BGADHN CCC(CC)CNCc1nn(C)c2ccccc12 ZINC000134446594 342854776 /nfs/dbraw/zinc/85/47/76/342854776.db2.gz ARNLRBXBVUEXLG-UHFFFAOYSA-N 0 3 245.370 3.099 20 0 BGADHN CC(C)CN(Cc1ccon1)CC(C)(C)C ZINC000134447483 345412916 /nfs/dbraw/zinc/41/29/16/345412916.db2.gz DTDBBXRAOIANNL-UHFFFAOYSA-N 0 3 224.348 3.179 20 0 BGADHN Cc1cc(CN(CC(C)C)CC(C)(C)C)no1 ZINC000134451595 325359279 /nfs/dbraw/zinc/35/92/79/325359279.db2.gz ZZPOJWBQMOXXSD-UHFFFAOYSA-N 0 3 238.375 3.487 20 0 BGADHN Cc1cnc(CN(CC(C)C)CC(C)(C)C)o1 ZINC000134454772 358790221 /nfs/dbraw/zinc/79/02/21/358790221.db2.gz WXGATNYJFAUGLS-UHFFFAOYSA-N 0 3 238.375 3.487 20 0 BGADHN Fc1ccc(C2CC(NCc3ccoc3)C2)cc1 ZINC000134482213 386422320 /nfs/dbraw/zinc/42/23/20/386422320.db2.gz GAQOWKOIVAQBMF-UHFFFAOYSA-N 0 3 245.297 3.455 20 0 BGADHN Fc1ccccc1C1CC(NCc2ccoc2)C1 ZINC000134483898 358791436 /nfs/dbraw/zinc/79/14/36/358791436.db2.gz HCYKTXKFBMASBM-UHFFFAOYSA-N 0 3 245.297 3.455 20 0 BGADHN CC[C@H](O)CN(CC=C(C)C)Cc1ccccc1 ZINC000134485056 325360718 /nfs/dbraw/zinc/36/07/18/325360718.db2.gz JEZPQGUQVOCPGN-INIZCTEOSA-N 0 3 247.382 3.226 20 0 BGADHN CC[C@@H](O)CN(CC=C(C)C)Cc1ccccc1 ZINC000134485078 325360652 /nfs/dbraw/zinc/36/06/52/325360652.db2.gz JEZPQGUQVOCPGN-MRXNPFEDSA-N 0 3 247.382 3.226 20 0 BGADHN Fc1cccc(C2CC(NCc3ccoc3)C2)c1 ZINC000134486100 358791382 /nfs/dbraw/zinc/79/13/82/358791382.db2.gz BUDBLGSZTVXHNC-UHFFFAOYSA-N 0 3 245.297 3.455 20 0 BGADHN c1cc(CNc2ccnc3ccccc32)co1 ZINC000134509073 325362294 /nfs/dbraw/zinc/36/22/94/325362294.db2.gz UXICPHIYNYKQOZ-UHFFFAOYSA-N 0 3 224.263 3.440 20 0 BGADHN CCCC(C)(C)NCc1nn(C)c2ccccc12 ZINC000134520085 345414551 /nfs/dbraw/zinc/41/45/51/345414551.db2.gz KLKBRFGHBGYOHK-UHFFFAOYSA-N 0 3 245.370 3.242 20 0 BGADHN CCC[C@H](O)CNc1cc(C)nc2ccccc21 ZINC000134546667 169520468 /nfs/dbraw/zinc/52/04/68/169520468.db2.gz RKNIHLFITFOKMK-LBPRGKRZSA-N 0 3 244.338 3.116 20 0 BGADHN CCC[C@@H](O)CNc1cc(C)nc2ccccc21 ZINC000134546688 398243744 /nfs/dbraw/zinc/24/37/44/398243744.db2.gz RKNIHLFITFOKMK-GFCCVEGCSA-N 0 3 244.338 3.116 20 0 BGADHN CC(C)(C)OC1CC(NCc2ccsc2)C1 ZINC000134548555 384365007 /nfs/dbraw/zinc/36/50/07/384365007.db2.gz AENCGOWEHXRJSF-UHFFFAOYSA-N 0 3 239.384 3.184 20 0 BGADHN C[C@H](NCc1nn(C)c2ccccc12)C(C)(C)C ZINC000134552066 342864333 /nfs/dbraw/zinc/86/43/33/342864333.db2.gz GHSHJDRZOFXNTK-NSHDSACASA-N 0 3 245.370 3.098 20 0 BGADHN C[C@@H](NCc1nn(C)c2ccccc12)C(C)(C)C ZINC000134552088 342864328 /nfs/dbraw/zinc/86/43/28/342864328.db2.gz GHSHJDRZOFXNTK-LLVKDONJSA-N 0 3 245.370 3.098 20 0 BGADHN CCC[C@@H](C)N[C@@H](C)c1nc2c(s1)CCC2 ZINC000134644832 358799612 /nfs/dbraw/zinc/79/96/12/358799612.db2.gz VSYFUTDCTBKSBN-ZJUUUORDSA-N 0 3 238.400 3.471 20 0 BGADHN CCC[C@H](C)N[C@@H](C)c1nc2c(s1)CCC2 ZINC000134644854 358799249 /nfs/dbraw/zinc/79/92/49/358799249.db2.gz VSYFUTDCTBKSBN-UWVGGRQHSA-N 0 3 238.400 3.471 20 0 BGADHN CCC[C@@H](C)N[C@H](C)c1nc2c(s1)CCC2 ZINC000134644878 358799354 /nfs/dbraw/zinc/79/93/54/358799354.db2.gz VSYFUTDCTBKSBN-NXEZZACHSA-N 0 3 238.400 3.471 20 0 BGADHN CCC[C@H](C)N[C@H](C)c1nc2c(s1)CCC2 ZINC000134644899 358799534 /nfs/dbraw/zinc/79/95/34/358799534.db2.gz VSYFUTDCTBKSBN-VHSXEESVSA-N 0 3 238.400 3.471 20 0 BGADHN C[C@H](NC1CCCC1)c1nc2c(s1)CCC2 ZINC000134645033 358799444 /nfs/dbraw/zinc/79/94/44/358799444.db2.gz ZNZGIWHVAZKZIS-VIFPVBQESA-N 0 3 236.384 3.225 20 0 BGADHN C[C@@H](NC1CCCC1)c1nc2c(s1)CCC2 ZINC000134645062 358799664 /nfs/dbraw/zinc/79/96/64/358799664.db2.gz ZNZGIWHVAZKZIS-SECBINFHSA-N 0 3 236.384 3.225 20 0 BGADHN C[C@H](N[C@@H](C)C1CC1)c1nc2c(s1)CCC2 ZINC000134645239 358799372 /nfs/dbraw/zinc/79/93/72/358799372.db2.gz YEMNRJHZBDSEAX-IUCAKERBSA-N 0 3 236.384 3.081 20 0 BGADHN C[C@@H](N[C@@H](C)C1CC1)c1nc2c(s1)CCC2 ZINC000134645261 358799204 /nfs/dbraw/zinc/79/92/04/358799204.db2.gz YEMNRJHZBDSEAX-DTWKUNHWSA-N 0 3 236.384 3.081 20 0 BGADHN C[C@@H](N[C@@H](C)c1nc2c(s1)CCC2)C1CC1 ZINC000134645280 358800409 /nfs/dbraw/zinc/80/04/09/358800409.db2.gz YEMNRJHZBDSEAX-BDAKNGLRSA-N 0 3 236.384 3.081 20 0 BGADHN C[C@@H](N[C@H](C)C1CC1)c1nc2c(s1)CCC2 ZINC000134645306 358800323 /nfs/dbraw/zinc/80/03/23/358800323.db2.gz YEMNRJHZBDSEAX-RKDXNWHRSA-N 0 3 236.384 3.081 20 0 BGADHN C[C@H](NCC1CCC1)c1nc2c(s1)CCC2 ZINC000134645701 358800125 /nfs/dbraw/zinc/80/01/25/358800125.db2.gz HTENOOPJFUYURJ-VIFPVBQESA-N 0 3 236.384 3.083 20 0 BGADHN C[C@@H](NCC1CCC1)c1nc2c(s1)CCC2 ZINC000134645724 358800523 /nfs/dbraw/zinc/80/05/23/358800523.db2.gz HTENOOPJFUYURJ-SECBINFHSA-N 0 3 236.384 3.083 20 0 BGADHN CCC[C@H](N[C@@H]1C=C[C@H](CO)C1)c1ccccc1 ZINC000134647357 384376071 /nfs/dbraw/zinc/37/60/71/384376071.db2.gz HMTRYQDGHDWJOP-IMJJTQAJSA-N 0 3 245.366 3.054 20 0 BGADHN CCC[C@@H](N[C@@H]1C=C[C@H](CO)C1)c1ccccc1 ZINC000134647374 169403649 /nfs/dbraw/zinc/40/36/49/169403649.db2.gz HMTRYQDGHDWJOP-NUEKZKHPSA-N 0 3 245.366 3.054 20 0 BGADHN C[C@H](NCCC1CC1)c1nc2c(s1)CCC2 ZINC000134649050 358800445 /nfs/dbraw/zinc/80/04/45/358800445.db2.gz GWRIPXOMKPWLAA-VIFPVBQESA-N 0 3 236.384 3.083 20 0 BGADHN C[C@@H](NCCC1CC1)c1nc2c(s1)CCC2 ZINC000134649073 358800337 /nfs/dbraw/zinc/80/03/37/358800337.db2.gz GWRIPXOMKPWLAA-SECBINFHSA-N 0 3 236.384 3.083 20 0 BGADHN C[C@H](NC1CC(C)C1)c1nc2c(s1)CCC2 ZINC000134649103 358799997 /nfs/dbraw/zinc/79/99/97/358799997.db2.gz RBLNRFPUPQNFQG-KYHHOPLUSA-N 0 3 236.384 3.081 20 0 BGADHN C[C@@H](NC1CC(C)C1)c1nc2c(s1)CCC2 ZINC000134649126 358800053 /nfs/dbraw/zinc/80/00/53/358800053.db2.gz RBLNRFPUPQNFQG-HWOCKDDLSA-N 0 3 236.384 3.081 20 0 BGADHN CSCCNCc1ccc(Cl)c(C)c1 ZINC000134651669 364409990 /nfs/dbraw/zinc/40/99/90/364409990.db2.gz DHLSMJIFBWZISM-UHFFFAOYSA-N 0 3 229.776 3.101 20 0 BGADHN CCNCc1ccc(Oc2ccccc2)o1 ZINC000134651874 325370216 /nfs/dbraw/zinc/37/02/16/325370216.db2.gz GHPPNKKVZVHXRZ-UHFFFAOYSA-N 0 3 217.268 3.181 20 0 BGADHN COCC(C)(C)NCc1ccc(Cl)c(C)c1 ZINC000134652743 325369361 /nfs/dbraw/zinc/36/93/61/325369361.db2.gz IXUUQQBOVBZSMB-UHFFFAOYSA-N 0 3 241.762 3.163 20 0 BGADHN CC[C@@H](COC)NCc1ccc(Cl)c(C)c1 ZINC000134654410 343194816 /nfs/dbraw/zinc/19/48/16/343194816.db2.gz DGQONQUQOCUFTK-LBPRGKRZSA-N 0 3 241.762 3.163 20 0 BGADHN CC[C@H](COC)NCc1ccc(Cl)c(C)c1 ZINC000134654434 343195005 /nfs/dbraw/zinc/19/50/05/343195005.db2.gz DGQONQUQOCUFTK-GFCCVEGCSA-N 0 3 241.762 3.163 20 0 BGADHN COC1(CNCc2ccc(Cl)s2)CCC1 ZINC000134660884 325370685 /nfs/dbraw/zinc/37/06/85/325370685.db2.gz BTWVFUXHGQASSY-UHFFFAOYSA-N 0 3 245.775 3.060 20 0 BGADHN CCC[C@@H](C)[C@@H](CC)NCc1nnc(C)s1 ZINC000134723205 325373167 /nfs/dbraw/zinc/37/31/67/325373167.db2.gz SVQABHDULKXROR-MWLCHTKSSA-N 0 3 241.404 3.151 20 0 BGADHN CCC[C@H](C)[C@@H](CC)NCc1nnc(C)s1 ZINC000134723219 325373267 /nfs/dbraw/zinc/37/32/67/325373267.db2.gz SVQABHDULKXROR-GXSJLCMTSA-N 0 3 241.404 3.151 20 0 BGADHN CCC[C@@H](C)[C@H](CC)NCc1nnc(C)s1 ZINC000134723237 325373293 /nfs/dbraw/zinc/37/32/93/325373293.db2.gz SVQABHDULKXROR-KOLCDFICSA-N 0 3 241.404 3.151 20 0 BGADHN CCC[C@H](C)[C@H](CC)NCc1nnc(C)s1 ZINC000134723258 325373421 /nfs/dbraw/zinc/37/34/21/325373421.db2.gz SVQABHDULKXROR-ONGXEEELSA-N 0 3 241.404 3.151 20 0 BGADHN Cc1cnc(CN[C@@H]2CCC[C@H](C)[C@@H]2C)s1 ZINC000134741212 358803942 /nfs/dbraw/zinc/80/39/42/358803942.db2.gz IXCFVUILXYPKFI-ZMLRMANQSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1cnc(CN[C@@H]2CCC[C@@H](C)[C@@H]2C)s1 ZINC000134741247 358804244 /nfs/dbraw/zinc/80/42/44/358804244.db2.gz IXCFVUILXYPKFI-ADEWGFFLSA-N 0 3 238.400 3.366 20 0 BGADHN CCSCCCN[C@@H](C)c1csc(C)n1 ZINC000134760130 388479039 /nfs/dbraw/zinc/47/90/39/388479039.db2.gz ICOFLYSICDAOFP-VIFPVBQESA-N 0 3 244.429 3.245 20 0 BGADHN CCSCCCN[C@H](C)c1csc(C)n1 ZINC000134760146 384387323 /nfs/dbraw/zinc/38/73/23/384387323.db2.gz ICOFLYSICDAOFP-SECBINFHSA-N 0 3 244.429 3.245 20 0 BGADHN CCSCCCNCc1cc(C)oc1C ZINC000134761537 591948628 /nfs/dbraw/zinc/94/86/28/591948628.db2.gz FBSQLKSAFWYCRE-UHFFFAOYSA-N 0 3 227.373 3.129 20 0 BGADHN CCSCCCN[C@@H](C)c1ccoc1 ZINC000134767938 343195569 /nfs/dbraw/zinc/19/55/69/343195569.db2.gz VHCXJEAYSXLCBV-JTQLQIEISA-N 0 3 213.346 3.073 20 0 BGADHN CCSCCCN[C@H](C)c1ccoc1 ZINC000134767954 343195281 /nfs/dbraw/zinc/19/52/81/343195281.db2.gz VHCXJEAYSXLCBV-SNVBAGLBSA-N 0 3 213.346 3.073 20 0 BGADHN CCSCCCNCc1c(F)cccc1F ZINC000134768526 384387555 /nfs/dbraw/zinc/38/75/55/384387555.db2.gz FKWYDJIZBPZRKG-UHFFFAOYSA-N 0 3 245.338 3.198 20 0 BGADHN CC(C)OCCCCNCc1ccc(Cl)o1 ZINC000134796345 345421952 /nfs/dbraw/zinc/42/19/52/345421952.db2.gz OHHLRVREWBVQSC-UHFFFAOYSA-N 0 3 245.750 3.228 20 0 BGADHN CC(C)OCCCCN[C@@H](C)c1ccoc1 ZINC000134826818 325378325 /nfs/dbraw/zinc/37/83/25/325378325.db2.gz XVLGBLAILWHZAP-LBPRGKRZSA-N 0 3 225.332 3.135 20 0 BGADHN CC(C)OCCCCN[C@H](C)c1ccoc1 ZINC000134826836 325378254 /nfs/dbraw/zinc/37/82/54/325378254.db2.gz XVLGBLAILWHZAP-GFCCVEGCSA-N 0 3 225.332 3.135 20 0 BGADHN CC(C)OCCCCN[C@@H](C)c1ccco1 ZINC000134827135 167205759 /nfs/dbraw/zinc/20/57/59/167205759.db2.gz HUIQBOIQVYEOOL-LBPRGKRZSA-N 0 3 225.332 3.135 20 0 BGADHN CC(C)OCCCCN[C@H](C)c1ccco1 ZINC000134827154 167207438 /nfs/dbraw/zinc/20/74/38/167207438.db2.gz HUIQBOIQVYEOOL-GFCCVEGCSA-N 0 3 225.332 3.135 20 0 BGADHN CC[C@@H](C)NCc1ncc(C(C)C)s1 ZINC000134840571 388479950 /nfs/dbraw/zinc/47/99/50/388479950.db2.gz SNJPLDCKFNFZBG-SECBINFHSA-N 0 3 212.362 3.155 20 0 BGADHN CC[C@H](C)NCc1ncc(C(C)C)s1 ZINC000134840593 388480531 /nfs/dbraw/zinc/48/05/31/388480531.db2.gz SNJPLDCKFNFZBG-VIFPVBQESA-N 0 3 212.362 3.155 20 0 BGADHN CC(C)c1cnc(CN[C@@H](C)C2CC2)s1 ZINC000134842187 325378825 /nfs/dbraw/zinc/37/88/25/325378825.db2.gz MCWLEMGZKKLRAV-VIFPVBQESA-N 0 3 224.373 3.155 20 0 BGADHN CC(C)c1cnc(CN[C@H](C)C2CC2)s1 ZINC000134842202 325378928 /nfs/dbraw/zinc/37/89/28/325378928.db2.gz MCWLEMGZKKLRAV-SECBINFHSA-N 0 3 224.373 3.155 20 0 BGADHN Cc1cnc(CNC[C@@H]2CCCC[C@@H]2C)s1 ZINC000134854573 364416306 /nfs/dbraw/zinc/41/63/06/364416306.db2.gz ZMGUAZLLGJJXSR-JQWIXIFHSA-N 0 3 238.400 3.367 20 0 BGADHN Cc1cnc(CNC[C@H]2CCCC[C@@H]2C)s1 ZINC000134854598 364416551 /nfs/dbraw/zinc/41/65/51/364416551.db2.gz ZMGUAZLLGJJXSR-CMPLNLGQSA-N 0 3 238.400 3.367 20 0 BGADHN Cc1cnc(CNC[C@@H]2CCCC[C@H]2C)s1 ZINC000134854613 364416487 /nfs/dbraw/zinc/41/64/87/364416487.db2.gz ZMGUAZLLGJJXSR-PWSUYJOCSA-N 0 3 238.400 3.367 20 0 BGADHN Cc1cnc(CNC[C@H]2CCCC[C@H]2C)s1 ZINC000134854634 364415941 /nfs/dbraw/zinc/41/59/41/364415941.db2.gz ZMGUAZLLGJJXSR-ZYHUDNBSSA-N 0 3 238.400 3.367 20 0 BGADHN CC(C)c1cnc(CNC2CC=CC2)s1 ZINC000134859311 538113890 /nfs/dbraw/zinc/11/38/90/538113890.db2.gz RVZPGPXVYAMAHU-UHFFFAOYSA-N 0 3 222.357 3.075 20 0 BGADHN CSCCCCCCNCc1cncs1 ZINC000134865829 388480030 /nfs/dbraw/zinc/48/00/30/388480030.db2.gz YNIVIYPWPPFNOQ-UHFFFAOYSA-N 0 3 244.429 3.156 20 0 BGADHN CSCCCCCCNCc1ccco1 ZINC000134865974 388479901 /nfs/dbraw/zinc/47/99/01/388479901.db2.gz AVKWVLKCESDLGF-UHFFFAOYSA-N 0 3 227.373 3.293 20 0 BGADHN CSCCCCCCNCc1ccoc1 ZINC000134866005 591953987 /nfs/dbraw/zinc/95/39/87/591953987.db2.gz ZDODNTUHIHKLKQ-UHFFFAOYSA-N 0 3 227.373 3.293 20 0 BGADHN CSCCCCCCNCc1ccccn1 ZINC000134866202 591953970 /nfs/dbraw/zinc/95/39/70/591953970.db2.gz GATPBHOISJMPKS-UHFFFAOYSA-N 0 3 238.400 3.095 20 0 BGADHN COc1cccc(F)c1[C@H](C)N[C@@H](C)C1CC1 ZINC000134869940 325379882 /nfs/dbraw/zinc/37/98/82/325379882.db2.gz UBJUHYCJQKCECC-UWVGGRQHSA-N 0 3 237.318 3.283 20 0 BGADHN COc1cccc(F)c1[C@@H](C)N[C@@H](C)C1CC1 ZINC000134869964 325379980 /nfs/dbraw/zinc/37/99/80/325379980.db2.gz UBJUHYCJQKCECC-VHSXEESVSA-N 0 3 237.318 3.283 20 0 BGADHN COc1cccc(F)c1[C@H](C)N[C@H](C)C1CC1 ZINC000134869981 325379790 /nfs/dbraw/zinc/37/97/90/325379790.db2.gz UBJUHYCJQKCECC-ZJUUUORDSA-N 0 3 237.318 3.283 20 0 BGADHN COc1cccc(F)c1[C@@H](C)N[C@H](C)C1CC1 ZINC000134870001 325379852 /nfs/dbraw/zinc/37/98/52/325379852.db2.gz UBJUHYCJQKCECC-NXEZZACHSA-N 0 3 237.318 3.283 20 0 BGADHN Cc1cnc(CN[C@@H]2CC[C@H](C)C[C@@H]2C)s1 ZINC000134884242 358809863 /nfs/dbraw/zinc/80/98/63/358809863.db2.gz KMVOSQHADHYFOI-JBLDHEPKSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1cnc(CN[C@@H]2CC[C@@H](C)C[C@@H]2C)s1 ZINC000134884284 358810192 /nfs/dbraw/zinc/81/01/92/358810192.db2.gz KMVOSQHADHYFOI-JFGNBEQYSA-N 0 3 238.400 3.366 20 0 BGADHN C[C@@H](CN[C@@H](C)c1ccoc1)c1nccs1 ZINC000134953501 325384148 /nfs/dbraw/zinc/38/41/48/325384148.db2.gz PTCANEZMBQBYDW-UWVGGRQHSA-N 0 3 236.340 3.190 20 0 BGADHN C[C@H](CN[C@@H](C)c1ccoc1)c1nccs1 ZINC000134953523 325384003 /nfs/dbraw/zinc/38/40/03/325384003.db2.gz PTCANEZMBQBYDW-ZJUUUORDSA-N 0 3 236.340 3.190 20 0 BGADHN C[C@@H](NC[C@H](C)c1nccs1)c1ccoc1 ZINC000134953544 325384113 /nfs/dbraw/zinc/38/41/13/325384113.db2.gz PTCANEZMBQBYDW-VHSXEESVSA-N 0 3 236.340 3.190 20 0 BGADHN C[C@H](CN[C@H](C)c1ccoc1)c1nccs1 ZINC000134953562 325384078 /nfs/dbraw/zinc/38/40/78/325384078.db2.gz PTCANEZMBQBYDW-NXEZZACHSA-N 0 3 236.340 3.190 20 0 BGADHN C[C@@H](CN[C@@H](C)c1ccco1)c1nccs1 ZINC000134954033 384401520 /nfs/dbraw/zinc/40/15/20/384401520.db2.gz CDBNYNVLTIMNIW-UWVGGRQHSA-N 0 3 236.340 3.190 20 0 BGADHN C[C@H](CN[C@@H](C)c1ccco1)c1nccs1 ZINC000134954056 384401453 /nfs/dbraw/zinc/40/14/53/384401453.db2.gz CDBNYNVLTIMNIW-ZJUUUORDSA-N 0 3 236.340 3.190 20 0 BGADHN C[C@@H](NC[C@H](C)c1nccs1)c1ccco1 ZINC000134954073 384401855 /nfs/dbraw/zinc/40/18/55/384401855.db2.gz CDBNYNVLTIMNIW-VHSXEESVSA-N 0 3 236.340 3.190 20 0 BGADHN C[C@H](CN[C@H](C)c1ccco1)c1nccs1 ZINC000134954098 384401059 /nfs/dbraw/zinc/40/10/59/384401059.db2.gz CDBNYNVLTIMNIW-NXEZZACHSA-N 0 3 236.340 3.190 20 0 BGADHN CC(C)=CCC[C@H](C)NCc1cncs1 ZINC000134954577 187395059 /nfs/dbraw/zinc/39/50/59/187395059.db2.gz RAZVKWVFSCNOIW-NSHDSACASA-N 0 3 224.373 3.368 20 0 BGADHN CC(C)=CCC[C@@H](C)NCc1cncs1 ZINC000134954598 388481178 /nfs/dbraw/zinc/48/11/78/388481178.db2.gz RAZVKWVFSCNOIW-LLVKDONJSA-N 0 3 224.373 3.368 20 0 BGADHN CO[C@H](C)[C@@H](C)NCc1ccc(Cl)c(C)c1 ZINC000134956156 358813003 /nfs/dbraw/zinc/81/30/03/358813003.db2.gz VFIVUQLSNZAMJG-GHMZBOCLSA-N 0 3 241.762 3.161 20 0 BGADHN CO[C@@H](C)[C@H](C)NCc1ccc(Cl)c(C)c1 ZINC000134956180 358812330 /nfs/dbraw/zinc/81/23/30/358812330.db2.gz VFIVUQLSNZAMJG-QWRGUYRKSA-N 0 3 241.762 3.161 20 0 BGADHN CO[C@@H](C)[C@@H](C)NCc1ccc(Cl)c(C)c1 ZINC000134956198 358812836 /nfs/dbraw/zinc/81/28/36/358812836.db2.gz VFIVUQLSNZAMJG-MNOVXSKESA-N 0 3 241.762 3.161 20 0 BGADHN CCN(CC)Cc1ccc(C(=O)OC(C)C)cc1 ZINC000134964868 325384727 /nfs/dbraw/zinc/38/47/27/325384727.db2.gz HREAUWGTSFSVBI-UHFFFAOYSA-N 0 3 249.354 3.094 20 0 BGADHN CC(C)CN(Cc1nccs1)CC(C)C ZINC000134977528 345428012 /nfs/dbraw/zinc/42/80/12/345428012.db2.gz ZCQYREYCECINJU-UHFFFAOYSA-N 0 3 226.389 3.257 20 0 BGADHN Cc1cc(CNCCOC(C)C)ccc1Cl ZINC000134985520 538114372 /nfs/dbraw/zinc/11/43/72/538114372.db2.gz MKQKMUXHXZRIQD-UHFFFAOYSA-N 0 3 241.762 3.163 20 0 BGADHN CCN(Cc1nccs1)C1CCCCC1 ZINC000134987910 345428992 /nfs/dbraw/zinc/42/89/92/345428992.db2.gz OKJOGHUBFQXQDR-UHFFFAOYSA-N 0 3 224.373 3.298 20 0 BGADHN Cc1cc(CNCc2cc[nH]c2)ccc1Cl ZINC000134989367 325386749 /nfs/dbraw/zinc/38/67/49/325386749.db2.gz SPNXNCJEQGAYCY-UHFFFAOYSA-N 0 3 234.730 3.266 20 0 BGADHN Cc1nnc([C@@H](C)NCC2CCCCC2)s1 ZINC000135000776 538114399 /nfs/dbraw/zinc/11/43/99/538114399.db2.gz RJAVFNFABQHRJE-SECBINFHSA-N 0 3 239.388 3.077 20 0 BGADHN Cc1nnc([C@H](C)NCC2CCCCC2)s1 ZINC000135000794 538114440 /nfs/dbraw/zinc/11/44/40/538114440.db2.gz RJAVFNFABQHRJE-VIFPVBQESA-N 0 3 239.388 3.077 20 0 BGADHN COCCC(C)(C)CNCc1ccc(Cl)o1 ZINC000135004078 358815641 /nfs/dbraw/zinc/81/56/41/358815641.db2.gz MPEDSRSHWLAASB-UHFFFAOYSA-N 0 3 245.750 3.085 20 0 BGADHN CCN(Cc1nccs1)[C@@H](C)C(C)C ZINC000135006699 345428961 /nfs/dbraw/zinc/42/89/61/345428961.db2.gz WFPQLWZFMJCMCH-JTQLQIEISA-N 0 3 212.362 3.010 20 0 BGADHN CCN(Cc1nccs1)[C@H](C)C(C)C ZINC000135006723 345428289 /nfs/dbraw/zinc/42/82/89/345428289.db2.gz WFPQLWZFMJCMCH-SNVBAGLBSA-N 0 3 212.362 3.010 20 0 BGADHN CCCN(C)Cc1ccc(C(=O)OC(C)C)cc1 ZINC000135009663 323026345 /nfs/dbraw/zinc/02/63/45/323026345.db2.gz FXWBJLYWALXEIR-UHFFFAOYSA-N 0 3 249.354 3.094 20 0 BGADHN Cc1nnc([C@H](C)N[C@@H]2CCCC[C@@H]2C)s1 ZINC000135010273 358815341 /nfs/dbraw/zinc/81/53/41/358815341.db2.gz WRFBXTSHACXBRZ-ATZCPNFKSA-N 0 3 239.388 3.076 20 0 BGADHN Cc1nnc([C@H](C)N[C@H]2CCCC[C@@H]2C)s1 ZINC000135010311 358815481 /nfs/dbraw/zinc/81/54/81/358815481.db2.gz WRFBXTSHACXBRZ-QXEWZRGKSA-N 0 3 239.388 3.076 20 0 BGADHN Cc1nnc([C@@H](C)N[C@@H](C)C2CCCC2)s1 ZINC000135010338 358815843 /nfs/dbraw/zinc/81/58/43/358815843.db2.gz BSAZSOAFUTZWQG-DTWKUNHWSA-N 0 3 239.388 3.076 20 0 BGADHN Cc1nnc([C@H](C)N[C@@H](C)C2CCCC2)s1 ZINC000135010360 358815882 /nfs/dbraw/zinc/81/58/82/358815882.db2.gz BSAZSOAFUTZWQG-IUCAKERBSA-N 0 3 239.388 3.076 20 0 BGADHN Cc1nnc([C@@H](C)N[C@H](C)C2CCCC2)s1 ZINC000135010379 358815815 /nfs/dbraw/zinc/81/58/15/358815815.db2.gz BSAZSOAFUTZWQG-RKDXNWHRSA-N 0 3 239.388 3.076 20 0 BGADHN Cc1nnc([C@H](C)N[C@H](C)C2CCCC2)s1 ZINC000135010398 358815547 /nfs/dbraw/zinc/81/55/47/358815547.db2.gz BSAZSOAFUTZWQG-BDAKNGLRSA-N 0 3 239.388 3.076 20 0 BGADHN CC(C)C[C@@H]1CCCN1Cc1nccs1 ZINC000135015162 325388282 /nfs/dbraw/zinc/38/82/82/325388282.db2.gz JBCIDGZEZKNSIU-NSHDSACASA-N 0 3 224.373 3.154 20 0 BGADHN CC(C)C[C@H]1CCCN1Cc1nccs1 ZINC000135015178 325388452 /nfs/dbraw/zinc/38/84/52/325388452.db2.gz JBCIDGZEZKNSIU-LLVKDONJSA-N 0 3 224.373 3.154 20 0 BGADHN CC[C@H](NCCOC)c1cccc(Cl)c1F ZINC000135042217 325390279 /nfs/dbraw/zinc/39/02/79/325390279.db2.gz LGHWWYDWUQWDGL-NSHDSACASA-N 0 3 245.725 3.166 20 0 BGADHN CC[C@@H](NCCOC)c1cccc(Cl)c1F ZINC000135042241 325390475 /nfs/dbraw/zinc/39/04/75/325390475.db2.gz LGHWWYDWUQWDGL-LLVKDONJSA-N 0 3 245.725 3.166 20 0 BGADHN CC(C)NCc1cc(F)c(Cl)cc1F ZINC000135046438 167116608 /nfs/dbraw/zinc/11/66/08/167116608.db2.gz FUCCSOAFZPVMKN-UHFFFAOYSA-N 0 3 219.662 3.116 20 0 BGADHN CC(C)CNCc1cc(F)c(Cl)cc1F ZINC000135046514 364425630 /nfs/dbraw/zinc/42/56/30/364425630.db2.gz ODEUKSSXLCHNEM-UHFFFAOYSA-N 0 3 233.689 3.364 20 0 BGADHN Fc1cc(CNCC2CC2)c(F)cc1Cl ZINC000135046594 180947376 /nfs/dbraw/zinc/94/73/76/180947376.db2.gz GWSZSSXOTYYOPL-UHFFFAOYSA-N 0 3 231.673 3.118 20 0 BGADHN CC(C)[C@@H]1CCCCN1Cc1nccs1 ZINC000135086098 325392537 /nfs/dbraw/zinc/39/25/37/325392537.db2.gz WDCSZYBBXRSHDR-NSHDSACASA-N 0 3 224.373 3.154 20 0 BGADHN CC(C)[C@H]1CCCCN1Cc1nccs1 ZINC000135086119 325392452 /nfs/dbraw/zinc/39/24/52/325392452.db2.gz WDCSZYBBXRSHDR-LLVKDONJSA-N 0 3 224.373 3.154 20 0 BGADHN C[C@@H]1CCC[C@H](C)N(Cc2nccs2)C1 ZINC000135098460 358819834 /nfs/dbraw/zinc/81/98/34/358819834.db2.gz HWWADBRUEIZXEU-MNOVXSKESA-N 0 3 224.373 3.154 20 0 BGADHN C[C@H]1CCC[C@H](C)N(Cc2nccs2)C1 ZINC000135098476 358820078 /nfs/dbraw/zinc/82/00/78/358820078.db2.gz HWWADBRUEIZXEU-QWRGUYRKSA-N 0 3 224.373 3.154 20 0 BGADHN C[C@@H]1CCC[C@@H](C)N(Cc2nccs2)C1 ZINC000135098491 358820038 /nfs/dbraw/zinc/82/00/38/358820038.db2.gz HWWADBRUEIZXEU-GHMZBOCLSA-N 0 3 224.373 3.154 20 0 BGADHN C[C@@H]1CCC[C@H](C)CN1Cc1nccs1 ZINC000135098507 358820474 /nfs/dbraw/zinc/82/04/74/358820474.db2.gz HWWADBRUEIZXEU-WDEREUQCSA-N 0 3 224.373 3.154 20 0 BGADHN CC1(C)CCCN(Cc2nccs2)CC1 ZINC000135099529 384411442 /nfs/dbraw/zinc/41/14/42/384411442.db2.gz GKZYLLHSCONDAY-UHFFFAOYSA-N 0 3 224.373 3.155 20 0 BGADHN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1nccs1 ZINC000135101858 325393228 /nfs/dbraw/zinc/39/32/28/325393228.db2.gz GPXXAFJMKKNSKR-WOPDTQHZSA-N 0 3 236.384 3.296 20 0 BGADHN C[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1nccs1 ZINC000135101897 325393156 /nfs/dbraw/zinc/39/31/56/325393156.db2.gz GPXXAFJMKKNSKR-UTUOFQBUSA-N 0 3 236.384 3.296 20 0 BGADHN CC(C)(C)C1CCC(CNCc2cc[nH]n2)CC1 ZINC000135118375 325393770 /nfs/dbraw/zinc/39/37/70/325393770.db2.gz DMBBCUFEOOPXCZ-UHFFFAOYSA-N 0 3 249.402 3.352 20 0 BGADHN Cc1ccoc1CNCCc1ccc(F)cc1 ZINC000135121992 384416387 /nfs/dbraw/zinc/41/63/87/384416387.db2.gz SRTYVEUZRDRIPY-UHFFFAOYSA-N 0 3 233.286 3.059 20 0 BGADHN Cc1ccoc1CNCCCc1ccccc1 ZINC000135123834 358821528 /nfs/dbraw/zinc/82/15/28/358821528.db2.gz XZIUWZBIBHNGKO-UHFFFAOYSA-N 0 3 229.323 3.310 20 0 BGADHN Cc1ccoc1CNC[C@@H](C)c1ccccc1 ZINC000135127329 323027060 /nfs/dbraw/zinc/02/70/60/323027060.db2.gz QWIVWGYHDMHEOW-CYBMUJFWSA-N 0 3 229.323 3.481 20 0 BGADHN Cc1ccoc1CNC[C@H](C)c1ccccc1 ZINC000135127349 325396553 /nfs/dbraw/zinc/39/65/53/325396553.db2.gz QWIVWGYHDMHEOW-ZDUSSCGKSA-N 0 3 229.323 3.481 20 0 BGADHN Cc1ccoc1CN[C@@H]1CCc2ccccc2C1 ZINC000135128461 358822270 /nfs/dbraw/zinc/82/22/70/358822270.db2.gz MLVNMCGCHOYODI-OAHLLOKOSA-N 0 3 241.334 3.235 20 0 BGADHN Cc1ccoc1CN[C@H]1CCc2ccccc2C1 ZINC000135128482 358822603 /nfs/dbraw/zinc/82/26/03/358822603.db2.gz MLVNMCGCHOYODI-HNNXBMFYSA-N 0 3 241.334 3.235 20 0 BGADHN Cc1ccoc1CNCCc1ccccc1C ZINC000135129961 358822037 /nfs/dbraw/zinc/82/20/37/358822037.db2.gz JVKJRPADPZCDIO-UHFFFAOYSA-N 0 3 229.323 3.229 20 0 BGADHN Cc1ccoc1CNCCc1ccccc1F ZINC000135130167 384416057 /nfs/dbraw/zinc/41/60/57/384416057.db2.gz RJJIUCULQDYZJE-UHFFFAOYSA-N 0 3 233.286 3.059 20 0 BGADHN Cc1ccoc1CN[C@@H](C)CCc1ccco1 ZINC000135130484 386485253 /nfs/dbraw/zinc/48/52/53/386485253.db2.gz ACZHXDUECRYHRY-LBPRGKRZSA-N 0 3 233.311 3.292 20 0 BGADHN Cc1ccoc1CN[C@H](C)CCc1ccco1 ZINC000135130504 386485781 /nfs/dbraw/zinc/48/57/81/386485781.db2.gz ACZHXDUECRYHRY-GFCCVEGCSA-N 0 3 233.311 3.292 20 0 BGADHN Cc1ccoc1CNCCOc1cccc(C)c1 ZINC000135131241 358822084 /nfs/dbraw/zinc/82/20/84/358822084.db2.gz XOXYCPINACRZNV-UHFFFAOYSA-N 0 3 245.322 3.065 20 0 BGADHN COc1cccc(F)c1[C@H](C)NCC1CCC1 ZINC000135132034 323356406 /nfs/dbraw/zinc/35/64/06/323356406.db2.gz HZLUOVZCPUDQJR-JTQLQIEISA-N 0 3 237.318 3.285 20 0 BGADHN COc1cccc(F)c1[C@@H](C)NCC1CCC1 ZINC000135132054 325396567 /nfs/dbraw/zinc/39/65/67/325396567.db2.gz HZLUOVZCPUDQJR-SNVBAGLBSA-N 0 3 237.318 3.285 20 0 BGADHN Cc1ccoc1CNCCSc1ccccc1 ZINC000135132932 358822596 /nfs/dbraw/zinc/82/25/96/358822596.db2.gz HMYMWIHQHMTYMU-UHFFFAOYSA-N 0 3 247.363 3.470 20 0 BGADHN Cc1ccoc1CNCCc1cccc(F)c1 ZINC000135135013 179524504 /nfs/dbraw/zinc/52/45/04/179524504.db2.gz VZCZTKFUCSCVTJ-UHFFFAOYSA-N 0 3 233.286 3.059 20 0 BGADHN Cc1ccoc1CNCCCOc1ccccc1 ZINC000135136244 384413728 /nfs/dbraw/zinc/41/37/28/384413728.db2.gz NUKRWOOCTDKHME-UHFFFAOYSA-N 0 3 245.322 3.147 20 0 BGADHN Cc1ccoc1CN[C@@H](C)Cc1ccc(F)cc1 ZINC000135152030 358821876 /nfs/dbraw/zinc/82/18/76/358821876.db2.gz HTHIEYVKPQRWMU-LBPRGKRZSA-N 0 3 247.313 3.448 20 0 BGADHN Cc1ccoc1CN[C@H](C)Cc1ccc(F)cc1 ZINC000135152049 358821868 /nfs/dbraw/zinc/82/18/68/358821868.db2.gz HTHIEYVKPQRWMU-GFCCVEGCSA-N 0 3 247.313 3.448 20 0 BGADHN Cc1ccoc1CNCCc1cccc(C)c1 ZINC000135168427 358823482 /nfs/dbraw/zinc/82/34/82/358823482.db2.gz WVXGJPZNLXIKDN-UHFFFAOYSA-N 0 3 229.323 3.229 20 0 BGADHN Cc1ccoc1CNC[C@@H]1Cc2ccccc21 ZINC000135173913 343963872 /nfs/dbraw/zinc/96/38/72/343963872.db2.gz ZNBMHPVLTIJRTP-ZDUSSCGKSA-N 0 3 227.307 3.018 20 0 BGADHN Cc1ccoc1CNC[C@H]1Cc2ccccc21 ZINC000135173933 343963805 /nfs/dbraw/zinc/96/38/05/343963805.db2.gz ZNBMHPVLTIJRTP-CYBMUJFWSA-N 0 3 227.307 3.018 20 0 BGADHN CCO[C@@H]1C[C@H](NCc2ccoc2)C12CCCC2 ZINC000135237645 387817796 /nfs/dbraw/zinc/81/77/96/387817796.db2.gz LVEMLFBJSFSVHC-UONOGXRCSA-N 0 3 249.354 3.107 20 0 BGADHN CCO[C@H]1C[C@H](NCc2ccoc2)C12CCCC2 ZINC000135237664 387817009 /nfs/dbraw/zinc/81/70/09/387817009.db2.gz LVEMLFBJSFSVHC-KBPBESRZSA-N 0 3 249.354 3.107 20 0 BGADHN CCO[C@@H]1C[C@@H](NCc2ccoc2)C12CCCC2 ZINC000135237683 387817228 /nfs/dbraw/zinc/81/72/28/387817228.db2.gz LVEMLFBJSFSVHC-ZIAGYGMSSA-N 0 3 249.354 3.107 20 0 BGADHN CCO[C@H]1C[C@@H](NCc2ccoc2)C12CCCC2 ZINC000135237703 387818025 /nfs/dbraw/zinc/81/80/25/387818025.db2.gz LVEMLFBJSFSVHC-KGLIPLIRSA-N 0 3 249.354 3.107 20 0 BGADHN CN(CCC1CC1)Cc1nc2cc(F)ccc2o1 ZINC000135253103 388486978 /nfs/dbraw/zinc/48/69/78/388486978.db2.gz QBLAXLMHSDOXJF-UHFFFAOYSA-N 0 3 248.301 3.199 20 0 BGADHN CN(CCC1CC1)Cc1nc2ccc(F)cc2o1 ZINC000135253187 388487085 /nfs/dbraw/zinc/48/70/85/388487085.db2.gz CVZBXNFVPFHXIY-UHFFFAOYSA-N 0 3 248.301 3.199 20 0 BGADHN CCSCC[C@@H](C)N(C)C/C=C/Cl ZINC000135265633 592000513 /nfs/dbraw/zinc/00/05/13/592000513.db2.gz STTAMCVMCIGNLA-BREXMAIKSA-N 0 3 221.797 3.202 20 0 BGADHN CCSCC[C@H](C)N(C)C/C=C/Cl ZINC000135265655 592000063 /nfs/dbraw/zinc/00/00/63/592000063.db2.gz STTAMCVMCIGNLA-STUBTGCMSA-N 0 3 221.797 3.202 20 0 BGADHN CCn1ccnc1CN1CCC[C@@H]1CCC(C)C ZINC000135308328 358830892 /nfs/dbraw/zinc/83/08/92/358830892.db2.gz DMRKGFBHHXNZCL-CQSZACIVSA-N 0 3 249.402 3.304 20 0 BGADHN CCn1ccnc1CN1CCC[C@H]1CCC(C)C ZINC000135308354 358830697 /nfs/dbraw/zinc/83/06/97/358830697.db2.gz DMRKGFBHHXNZCL-AWEZNQCLSA-N 0 3 249.402 3.304 20 0 BGADHN CC(C)CC[C@@H]1CCCN1Cc1ccon1 ZINC000135312212 358830818 /nfs/dbraw/zinc/83/08/18/358830818.db2.gz RUVABWFFKASAGR-ZDUSSCGKSA-N 0 3 222.332 3.075 20 0 BGADHN CC(C)CC[C@H]1CCCN1Cc1ccon1 ZINC000135312231 358831250 /nfs/dbraw/zinc/83/12/50/358831250.db2.gz RUVABWFFKASAGR-CYBMUJFWSA-N 0 3 222.332 3.075 20 0 BGADHN Cc1cnc(CN2CCC[C@@H]2CCC(C)C)o1 ZINC000135314785 358831373 /nfs/dbraw/zinc/83/13/73/358831373.db2.gz ZPLVDDNTIHKRSS-CYBMUJFWSA-N 0 3 236.359 3.384 20 0 BGADHN Cc1cnc(CN2CCC[C@H]2CCC(C)C)o1 ZINC000135314810 358830725 /nfs/dbraw/zinc/83/07/25/358830725.db2.gz ZPLVDDNTIHKRSS-ZDUSSCGKSA-N 0 3 236.359 3.384 20 0 BGADHN Cc1cc(CN2CCC[C@@H]2CCC(C)C)no1 ZINC000135318654 358830802 /nfs/dbraw/zinc/83/08/02/358830802.db2.gz BDYZALFTOVBPON-CQSZACIVSA-N 0 3 236.359 3.384 20 0 BGADHN Cc1cc(CN2CCC[C@H]2CCC(C)C)no1 ZINC000135318676 358830580 /nfs/dbraw/zinc/83/05/80/358830580.db2.gz BDYZALFTOVBPON-AWEZNQCLSA-N 0 3 236.359 3.384 20 0 BGADHN CCC[C@@H](C)[C@@H]1CCCN1Cc1nccn1CC ZINC000135333535 358832353 /nfs/dbraw/zinc/83/23/53/358832353.db2.gz ZUSPQNNZEQCSAM-KGLIPLIRSA-N 0 3 249.402 3.304 20 0 BGADHN CCC[C@H](C)[C@@H]1CCCN1Cc1nccn1CC ZINC000135333554 358832264 /nfs/dbraw/zinc/83/22/64/358832264.db2.gz ZUSPQNNZEQCSAM-KBPBESRZSA-N 0 3 249.402 3.304 20 0 BGADHN CCC[C@@H](C)[C@H]1CCCN1Cc1nccn1CC ZINC000135333573 358832694 /nfs/dbraw/zinc/83/26/94/358832694.db2.gz ZUSPQNNZEQCSAM-ZIAGYGMSSA-N 0 3 249.402 3.304 20 0 BGADHN CCC[C@H](C)[C@H]1CCCN1Cc1nccn1CC ZINC000135333598 358832281 /nfs/dbraw/zinc/83/22/81/358832281.db2.gz ZUSPQNNZEQCSAM-UONOGXRCSA-N 0 3 249.402 3.304 20 0 BGADHN CCC[C@@H](C)[C@@H]1CCCN1Cc1ccon1 ZINC000135339938 358832445 /nfs/dbraw/zinc/83/24/45/358832445.db2.gz LSDXAQINVXKQFJ-YPMHNXCESA-N 0 3 222.332 3.075 20 0 BGADHN CCC[C@H](C)[C@@H]1CCCN1Cc1ccon1 ZINC000135339959 358832008 /nfs/dbraw/zinc/83/20/08/358832008.db2.gz LSDXAQINVXKQFJ-AAEUAGOBSA-N 0 3 222.332 3.075 20 0 BGADHN CCC[C@@H](C)[C@H]1CCCN1Cc1ccon1 ZINC000135339979 358831977 /nfs/dbraw/zinc/83/19/77/358831977.db2.gz LSDXAQINVXKQFJ-DGCLKSJQSA-N 0 3 222.332 3.075 20 0 BGADHN CCC[C@H](C)[C@H]1CCCN1Cc1ccon1 ZINC000135339997 358832180 /nfs/dbraw/zinc/83/21/80/358832180.db2.gz LSDXAQINVXKQFJ-WCQYABFASA-N 0 3 222.332 3.075 20 0 BGADHN CCC[C@@H](C)[C@@H]1CCCN1Cc1ncc(C)o1 ZINC000135344005 358832716 /nfs/dbraw/zinc/83/27/16/358832716.db2.gz ANOQFFGMMYLJGF-YPMHNXCESA-N 0 3 236.359 3.384 20 0 BGADHN CCC[C@H](C)[C@@H]1CCCN1Cc1ncc(C)o1 ZINC000135344021 358832207 /nfs/dbraw/zinc/83/22/07/358832207.db2.gz ANOQFFGMMYLJGF-AAEUAGOBSA-N 0 3 236.359 3.384 20 0 BGADHN CCC[C@@H](C)[C@H]1CCCN1Cc1ncc(C)o1 ZINC000135344037 358832247 /nfs/dbraw/zinc/83/22/47/358832247.db2.gz ANOQFFGMMYLJGF-DGCLKSJQSA-N 0 3 236.359 3.384 20 0 BGADHN CCC[C@H](C)[C@H]1CCCN1Cc1ncc(C)o1 ZINC000135344053 358832748 /nfs/dbraw/zinc/83/27/48/358832748.db2.gz ANOQFFGMMYLJGF-WCQYABFASA-N 0 3 236.359 3.384 20 0 BGADHN CCC[C@@H](C)[C@@H]1CCCN1Cc1cc(C)on1 ZINC000135349822 358833662 /nfs/dbraw/zinc/83/36/62/358833662.db2.gz UEAULTGVPUIFJK-RISCZKNCSA-N 0 3 236.359 3.384 20 0 BGADHN CCC[C@H](C)[C@@H]1CCCN1Cc1cc(C)on1 ZINC000135349847 358833293 /nfs/dbraw/zinc/83/32/93/358833293.db2.gz UEAULTGVPUIFJK-FZMZJTMJSA-N 0 3 236.359 3.384 20 0 BGADHN CCC[C@@H](C)[C@H]1CCCN1Cc1cc(C)on1 ZINC000135349869 358833828 /nfs/dbraw/zinc/83/38/28/358833828.db2.gz UEAULTGVPUIFJK-BXUZGUMPSA-N 0 3 236.359 3.384 20 0 BGADHN CCC[C@H](C)[C@H]1CCCN1Cc1cc(C)on1 ZINC000135349887 358833684 /nfs/dbraw/zinc/83/36/84/358833684.db2.gz UEAULTGVPUIFJK-SMDDNHRTSA-N 0 3 236.359 3.384 20 0 BGADHN COC(C)(C)CN[C@@H](C)c1cc(F)ccc1F ZINC000135373300 358834773 /nfs/dbraw/zinc/83/47/73/358834773.db2.gz WZNNMRBKEJOLMM-VIFPVBQESA-N 0 3 243.297 3.040 20 0 BGADHN COC(C)(C)CN[C@H](C)c1cc(F)ccc1F ZINC000135373322 358834860 /nfs/dbraw/zinc/83/48/60/358834860.db2.gz WZNNMRBKEJOLMM-SECBINFHSA-N 0 3 243.297 3.040 20 0 BGADHN COC(C)(C)CN[C@@H](C)c1ccc(F)c(F)c1 ZINC000135374078 358835035 /nfs/dbraw/zinc/83/50/35/358835035.db2.gz KOXQPYBQTYNLMP-VIFPVBQESA-N 0 3 243.297 3.040 20 0 BGADHN COC(C)(C)CN[C@H](C)c1ccc(F)c(F)c1 ZINC000135374096 358835008 /nfs/dbraw/zinc/83/50/08/358835008.db2.gz KOXQPYBQTYNLMP-SECBINFHSA-N 0 3 243.297 3.040 20 0 BGADHN COC(C)(C)CN[C@@H](C)c1ccc(F)cc1F ZINC000135374734 358834448 /nfs/dbraw/zinc/83/44/48/358834448.db2.gz QXDMFIHHOPWISL-VIFPVBQESA-N 0 3 243.297 3.040 20 0 BGADHN COC(C)(C)CN[C@H](C)c1ccc(F)cc1F ZINC000135374751 134743594 /nfs/dbraw/zinc/74/35/94/134743594.db2.gz QXDMFIHHOPWISL-SECBINFHSA-N 0 3 243.297 3.040 20 0 BGADHN CC(C)c1ccc(CN(C)CC[C@@H](C)O)cc1 ZINC000135412835 388494487 /nfs/dbraw/zinc/49/44/87/388494487.db2.gz UXAGESKVMADXJK-CYBMUJFWSA-N 0 3 235.371 3.013 20 0 BGADHN CC(C)c1ccc(CN(C)CC[C@H](C)O)cc1 ZINC000135412859 388494579 /nfs/dbraw/zinc/49/45/79/388494579.db2.gz UXAGESKVMADXJK-ZDUSSCGKSA-N 0 3 235.371 3.013 20 0 BGADHN Cc1ccncc1CN[C@@H](C)c1ccccc1 ZINC000135428548 384443621 /nfs/dbraw/zinc/44/36/21/384443621.db2.gz QRQYHJPEGMFYGY-ZDUSSCGKSA-N 0 3 226.323 3.241 20 0 BGADHN Cc1ccncc1CN[C@H](C)c1ccccc1 ZINC000135428568 384442991 /nfs/dbraw/zinc/44/29/91/384442991.db2.gz QRQYHJPEGMFYGY-CYBMUJFWSA-N 0 3 226.323 3.241 20 0 BGADHN Cc1ccncc1CN[C@@H](C)c1ccc(F)cc1 ZINC000135433116 358838931 /nfs/dbraw/zinc/83/89/31/358838931.db2.gz AAQBIMFNXMUXBO-LBPRGKRZSA-N 0 3 244.313 3.380 20 0 BGADHN Cc1ccncc1CN[C@H](C)c1ccc(F)cc1 ZINC000135433133 358838416 /nfs/dbraw/zinc/83/84/16/358838416.db2.gz AAQBIMFNXMUXBO-GFCCVEGCSA-N 0 3 244.313 3.380 20 0 BGADHN Cc1ccncc1CN[C@@H]1CCc2ccccc21 ZINC000135434249 384444179 /nfs/dbraw/zinc/44/41/79/384444179.db2.gz HOQICODQMWGIOB-MRXNPFEDSA-N 0 3 238.334 3.167 20 0 BGADHN Cc1ccncc1CN[C@H]1CCc2ccccc21 ZINC000135434265 384443505 /nfs/dbraw/zinc/44/35/05/384443505.db2.gz HOQICODQMWGIOB-INIZCTEOSA-N 0 3 238.334 3.167 20 0 BGADHN Cc1ccncc1CNCc1ccc(Cl)cc1 ZINC000135436580 358838256 /nfs/dbraw/zinc/83/82/56/358838256.db2.gz ASSFGVOLJDVEOU-UHFFFAOYSA-N 0 3 246.741 3.333 20 0 BGADHN CSC[C@@H]1CCCN1Cc1ccc(F)cc1 ZINC000135446628 358838328 /nfs/dbraw/zinc/83/83/28/358838328.db2.gz JVFCYTKGLNGQPT-ZDUSSCGKSA-N 0 3 239.359 3.153 20 0 BGADHN CSC[C@H]1CCCN1Cc1ccc(F)cc1 ZINC000135446646 358838236 /nfs/dbraw/zinc/83/82/36/358838236.db2.gz JVFCYTKGLNGQPT-CYBMUJFWSA-N 0 3 239.359 3.153 20 0 BGADHN Cc1ccc(CNCc2cnccc2C)s1 ZINC000135458188 384446642 /nfs/dbraw/zinc/44/66/42/384446642.db2.gz OVJGOSPIVFFRBS-UHFFFAOYSA-N 0 3 232.352 3.050 20 0 BGADHN CCc1ccccc1CNCc1cnccc1C ZINC000135462811 398342075 /nfs/dbraw/zinc/34/20/75/398342075.db2.gz MGSXDRSUVLJXHW-UHFFFAOYSA-N 0 3 240.350 3.242 20 0 BGADHN CSC[C@@H]1CCCN1Cc1cccc(F)c1 ZINC000135463363 358839292 /nfs/dbraw/zinc/83/92/92/358839292.db2.gz NTSOPZCLYHCGIT-ZDUSSCGKSA-N 0 3 239.359 3.153 20 0 BGADHN CSC[C@H]1CCCN1Cc1cccc(F)c1 ZINC000135463382 358839599 /nfs/dbraw/zinc/83/95/99/358839599.db2.gz NTSOPZCLYHCGIT-CYBMUJFWSA-N 0 3 239.359 3.153 20 0 BGADHN CSC[C@@H]1CCCN1Cc1ccccc1F ZINC000135464876 358839807 /nfs/dbraw/zinc/83/98/07/358839807.db2.gz IVTDWCDWSJXLHX-LBPRGKRZSA-N 0 3 239.359 3.153 20 0 BGADHN CSC[C@H]1CCCN1Cc1ccccc1F ZINC000135464895 358839796 /nfs/dbraw/zinc/83/97/96/358839796.db2.gz IVTDWCDWSJXLHX-GFCCVEGCSA-N 0 3 239.359 3.153 20 0 BGADHN Cc1cscc1CNCc1cnccc1C ZINC000135466428 358839841 /nfs/dbraw/zinc/83/98/41/358839841.db2.gz ONVZRVAIZXAJCL-UHFFFAOYSA-N 0 3 232.352 3.050 20 0 BGADHN Cc1ccncc1CN[C@@H](C)c1cccs1 ZINC000135467749 179489845 /nfs/dbraw/zinc/48/98/45/179489845.db2.gz PSPIAIOAMHVOKK-NSHDSACASA-N 0 3 232.352 3.302 20 0 BGADHN Cc1ccncc1CN[C@H](C)c1cccs1 ZINC000135467765 384447666 /nfs/dbraw/zinc/44/76/66/384447666.db2.gz PSPIAIOAMHVOKK-LLVKDONJSA-N 0 3 232.352 3.302 20 0 BGADHN C[C@@H](CN1CCOCC12CCC2)c1ccccc1 ZINC000135495548 388499144 /nfs/dbraw/zinc/49/91/44/388499144.db2.gz VJIMSKPCZCTLHE-AWEZNQCLSA-N 0 3 245.366 3.045 20 0 BGADHN C[C@H](CN1CCOCC12CCC2)c1ccccc1 ZINC000135495567 388498682 /nfs/dbraw/zinc/49/86/82/388498682.db2.gz VJIMSKPCZCTLHE-CQSZACIVSA-N 0 3 245.366 3.045 20 0 BGADHN CC1CC(NCc2ccccc2OC(F)F)C1 ZINC000135562718 168146383 /nfs/dbraw/zinc/14/63/83/168146383.db2.gz JJMLBPPKKKADOB-UHFFFAOYSA-N 0 3 241.281 3.176 20 0 BGADHN CC(C)Oc1ccccc1CNC1CC(C)C1 ZINC000135562843 358844509 /nfs/dbraw/zinc/84/45/09/358844509.db2.gz PPWIGWVDTIFJAL-UHFFFAOYSA-N 0 3 233.355 3.362 20 0 BGADHN CC1CC(NCc2cccc3c2OC(C)(C)C3)C1 ZINC000135563003 358844569 /nfs/dbraw/zinc/84/45/69/358844569.db2.gz QHZFDVXXVNDNFB-UHFFFAOYSA-N 0 3 245.366 3.288 20 0 BGADHN COc1cccc2cc(CNC3CC(C)C3)oc21 ZINC000135565138 592018366 /nfs/dbraw/zinc/01/83/66/592018366.db2.gz NEYGPRDKUJFSQF-UHFFFAOYSA-N 0 3 245.322 3.330 20 0 BGADHN CCCCCCN(C)[C@@H]1CCCc2c1cnn2C ZINC000135572303 358845553 /nfs/dbraw/zinc/84/55/53/358845553.db2.gz BBMGMMJLJNOXMO-CQSZACIVSA-N 0 3 249.402 3.310 20 0 BGADHN CCCCCCN(C)[C@H]1CCCc2c1cnn2C ZINC000135572324 358845443 /nfs/dbraw/zinc/84/54/43/358845443.db2.gz BBMGMMJLJNOXMO-AWEZNQCLSA-N 0 3 249.402 3.310 20 0 BGADHN CC[C@]1(C)CN([C@@H](C)c2ccccc2)CCO1 ZINC000135601478 388502370 /nfs/dbraw/zinc/50/23/70/388502370.db2.gz BKJRBWNBLHWVDO-DZGCQCFKSA-N 0 3 233.355 3.249 20 0 BGADHN CC[C@@]1(C)CN([C@@H](C)c2ccccc2)CCO1 ZINC000135601511 388503230 /nfs/dbraw/zinc/50/32/30/388503230.db2.gz BKJRBWNBLHWVDO-ZFWWWQNUSA-N 0 3 233.355 3.249 20 0 BGADHN CCC1(NCc2cccc(OC)c2OC)CCC1 ZINC000135622092 384455388 /nfs/dbraw/zinc/45/53/88/384455388.db2.gz LMSJXHDPTITMLK-UHFFFAOYSA-N 0 3 249.354 3.126 20 0 BGADHN CCC1(NCc2cc(OC)ccc2OC)CCC1 ZINC000135622123 384456622 /nfs/dbraw/zinc/45/66/22/384456622.db2.gz BHUBTUNCFVDPOO-UHFFFAOYSA-N 0 3 249.354 3.126 20 0 BGADHN CCC1(NCc2ccc(OC)cc2OC)CCC1 ZINC000135622540 323029935 /nfs/dbraw/zinc/02/99/35/323029935.db2.gz HKGFJFYROIERJL-UHFFFAOYSA-N 0 3 249.354 3.126 20 0 BGADHN CC[C@@H]1CCCCC[N@H+]1Cc1nc(C)ccc1[O-] ZINC000135644377 358847538 /nfs/dbraw/zinc/84/75/38/358847538.db2.gz ZYWCXFLBMIUVLB-CYBMUJFWSA-N 0 3 248.370 3.250 20 0 BGADHN CC[C@@H]1CCCCC[N@@H+]1Cc1nc(C)ccc1[O-] ZINC000135644377 358847535 /nfs/dbraw/zinc/84/75/35/358847535.db2.gz ZYWCXFLBMIUVLB-CYBMUJFWSA-N 0 3 248.370 3.250 20 0 BGADHN CC[C@H]1CCCCC[N@H+]1Cc1nc(C)ccc1[O-] ZINC000135644405 358847758 /nfs/dbraw/zinc/84/77/58/358847758.db2.gz ZYWCXFLBMIUVLB-ZDUSSCGKSA-N 0 3 248.370 3.250 20 0 BGADHN CC[C@H]1CCCCC[N@@H+]1Cc1nc(C)ccc1[O-] ZINC000135644405 358847757 /nfs/dbraw/zinc/84/77/57/358847757.db2.gz ZYWCXFLBMIUVLB-ZDUSSCGKSA-N 0 3 248.370 3.250 20 0 BGADHN c1c2ccccc2oc1CN[C@@H]1CCCSC1 ZINC000135704543 387823737 /nfs/dbraw/zinc/82/37/37/387823737.db2.gz XUZFUUHAXCRWQN-GFCCVEGCSA-N 0 3 247.363 3.418 20 0 BGADHN c1c2ccccc2oc1CN[C@H]1CCCSC1 ZINC000135704584 387823596 /nfs/dbraw/zinc/82/35/96/387823596.db2.gz XUZFUUHAXCRWQN-LBPRGKRZSA-N 0 3 247.363 3.418 20 0 BGADHN CCCCOCCCNCc1ccc(Cl)o1 ZINC000135805915 358852159 /nfs/dbraw/zinc/85/21/59/358852159.db2.gz DDPKJIAFRBONGY-UHFFFAOYSA-N 0 3 245.750 3.229 20 0 BGADHN CCC(CC)CNCc1ccc(Cl)o1 ZINC000135810385 325427221 /nfs/dbraw/zinc/42/72/21/325427221.db2.gz AXBCASLWDCIQDO-UHFFFAOYSA-N 0 3 215.724 3.459 20 0 BGADHN CC(C)(C)CCNCc1ccc(Cl)o1 ZINC000135835742 323030307 /nfs/dbraw/zinc/03/03/07/323030307.db2.gz NHEUNHMHGJJUEA-UHFFFAOYSA-N 0 3 215.724 3.459 20 0 BGADHN c1nc(C2CCCC2)sc1CN1CCCC1 ZINC000135836429 325428518 /nfs/dbraw/zinc/42/85/18/325428518.db2.gz IOGLYXOTWLDCRX-UHFFFAOYSA-N 0 3 236.384 3.397 20 0 BGADHN CC[C@@H]1CCN(CCC(=O)c2ccc(F)cc2)C1 ZINC000135849367 388511783 /nfs/dbraw/zinc/51/17/83/388511783.db2.gz MDJKXEVYYZACME-GFCCVEGCSA-N 0 3 249.329 3.130 20 0 BGADHN CC[C@H]1CCN(CCC(=O)c2ccc(F)cc2)C1 ZINC000135849399 388512423 /nfs/dbraw/zinc/51/24/23/388512423.db2.gz MDJKXEVYYZACME-LBPRGKRZSA-N 0 3 249.329 3.130 20 0 BGADHN CCCNCc1cccc(Cl)c1OCC ZINC000135860162 364452494 /nfs/dbraw/zinc/45/24/94/364452494.db2.gz ZHJCOHSLFIHIOK-UHFFFAOYSA-N 0 3 227.735 3.238 20 0 BGADHN c1coc(CNCCc2cc3ccccc3[nH]2)c1 ZINC000135924036 491049039 /nfs/dbraw/zinc/04/90/39/491049039.db2.gz DZGKZIDBDMBHJM-UHFFFAOYSA-N 0 3 240.306 3.093 20 0 BGADHN c1ncc(CNC[C@H]2C[C@H]2c2ccccc2)s1 ZINC000136106990 134765507 /nfs/dbraw/zinc/76/55/07/134765507.db2.gz ZSLUSTGMBRHXQN-OCCSQVGLSA-N 0 3 244.363 3.036 20 0 BGADHN c1ncc(CNC[C@H]2C[C@@H]2c2ccccc2)s1 ZINC000136107032 358864910 /nfs/dbraw/zinc/86/49/10/358864910.db2.gz ZSLUSTGMBRHXQN-TZMCWYRMSA-N 0 3 244.363 3.036 20 0 BGADHN c1ncc(CNC[C@@H]2C[C@H]2c2ccccc2)s1 ZINC000136107071 384482486 /nfs/dbraw/zinc/48/24/86/384482486.db2.gz ZSLUSTGMBRHXQN-JSGCOSHPSA-N 0 3 244.363 3.036 20 0 BGADHN c1ncc(CNC[C@@H]2C[C@@H]2c2ccccc2)s1 ZINC000136107108 358865043 /nfs/dbraw/zinc/86/50/43/358865043.db2.gz ZSLUSTGMBRHXQN-GXTWGEPZSA-N 0 3 244.363 3.036 20 0 BGADHN C[C@@H](CC1CC1)NCc1cc(F)c(F)cc1F ZINC000136124376 325441903 /nfs/dbraw/zinc/44/19/03/325441903.db2.gz JOLISJDZMXNVFI-QMMMGPOBSA-N 0 3 243.272 3.382 20 0 BGADHN C[C@H](CC1CC1)NCc1cc(F)c(F)cc1F ZINC000136124418 388523233 /nfs/dbraw/zinc/52/32/33/388523233.db2.gz JOLISJDZMXNVFI-MRVPVSSYSA-N 0 3 243.272 3.382 20 0 BGADHN Fc1ccc(C2(NCC3CC3)CCC2)c(F)c1 ZINC000136134609 388524609 /nfs/dbraw/zinc/52/46/09/388524609.db2.gz HGPKQAMLADCPPB-UHFFFAOYSA-N 0 3 237.293 3.344 20 0 BGADHN Fc1cc(F)c(CNCCCC2CC2)cc1F ZINC000136175539 491053834 /nfs/dbraw/zinc/05/38/34/491053834.db2.gz WZFILGMPOPMHDL-UHFFFAOYSA-N 0 3 243.272 3.384 20 0 BGADHN CSC[C@H](C)NCc1ccc(F)cc1Cl ZINC000136176390 175524210 /nfs/dbraw/zinc/52/42/10/175524210.db2.gz INCQDUJLZYGFCG-QMMMGPOBSA-N 0 3 247.766 3.320 20 0 BGADHN CSC[C@@H](C)NCc1ccc(F)cc1Cl ZINC000136176432 388525676 /nfs/dbraw/zinc/52/56/76/388525676.db2.gz INCQDUJLZYGFCG-MRVPVSSYSA-N 0 3 247.766 3.320 20 0 BGADHN CCc1nc(CNCCC(C)(C)C)cs1 ZINC000136207059 364466626 /nfs/dbraw/zinc/46/66/26/364466626.db2.gz ZVGHMFVMTOEFIZ-UHFFFAOYSA-N 0 3 226.389 3.231 20 0 BGADHN C[C@@H]1C[C@@H]1CNCc1csc(C(C)(C)C)n1 ZINC000136207268 388527416 /nfs/dbraw/zinc/52/74/16/388527416.db2.gz PBSKWANDTKBOQV-NXEZZACHSA-N 0 3 238.400 3.186 20 0 BGADHN C[C@H]1C[C@@H]1CNCc1csc(C(C)(C)C)n1 ZINC000136207311 325445554 /nfs/dbraw/zinc/44/55/54/325445554.db2.gz PBSKWANDTKBOQV-VHSXEESVSA-N 0 3 238.400 3.186 20 0 BGADHN C[C@@H]1C[C@H]1CNCc1csc(C(C)(C)C)n1 ZINC000136207346 325445616 /nfs/dbraw/zinc/44/56/16/325445616.db2.gz PBSKWANDTKBOQV-ZJUUUORDSA-N 0 3 238.400 3.186 20 0 BGADHN C[C@H]1C[C@H]1CNCc1csc(C(C)(C)C)n1 ZINC000136207376 325445382 /nfs/dbraw/zinc/44/53/82/325445382.db2.gz PBSKWANDTKBOQV-UWVGGRQHSA-N 0 3 238.400 3.186 20 0 BGADHN C[C@@H](CNCc1cc(F)ccc1F)C1CC1 ZINC000136209453 345961546 /nfs/dbraw/zinc/96/15/46/345961546.db2.gz PFDSYDRKLXSCOR-VIFPVBQESA-N 0 3 225.282 3.101 20 0 BGADHN C[C@H](CNCc1cc(F)ccc1F)C1CC1 ZINC000136209490 345487802 /nfs/dbraw/zinc/48/78/02/345487802.db2.gz PFDSYDRKLXSCOR-SECBINFHSA-N 0 3 225.282 3.101 20 0 BGADHN C[C@@H](CNCc1ccc(Cl)o1)C1CC1 ZINC000136210812 345961223 /nfs/dbraw/zinc/96/12/23/345961223.db2.gz HKBKNFPFNWYTNW-QMMMGPOBSA-N 0 3 213.708 3.069 20 0 BGADHN C[C@H](CNCc1ccc(Cl)o1)C1CC1 ZINC000136210841 345961511 /nfs/dbraw/zinc/96/15/11/345961511.db2.gz HKBKNFPFNWYTNW-MRVPVSSYSA-N 0 3 213.708 3.069 20 0 BGADHN C[C@@H](CNCc1c(F)cccc1F)C1CC1 ZINC000136212940 345961659 /nfs/dbraw/zinc/96/16/59/345961659.db2.gz MBMVASROYPLCSS-VIFPVBQESA-N 0 3 225.282 3.101 20 0 BGADHN C[C@H](CNCc1c(F)cccc1F)C1CC1 ZINC000136212993 345961402 /nfs/dbraw/zinc/96/14/02/345961402.db2.gz MBMVASROYPLCSS-SECBINFHSA-N 0 3 225.282 3.101 20 0 BGADHN C[C@@H](CNCc1ccc(F)cc1F)C1CC1 ZINC000136214835 346171022 /nfs/dbraw/zinc/17/10/22/346171022.db2.gz YCUMLZSLKFTSPH-VIFPVBQESA-N 0 3 225.282 3.101 20 0 BGADHN C[C@H](CNCc1ccc(F)cc1F)C1CC1 ZINC000136214861 346171160 /nfs/dbraw/zinc/17/11/60/346171160.db2.gz YCUMLZSLKFTSPH-SECBINFHSA-N 0 3 225.282 3.101 20 0 BGADHN C[C@@H]1C[C@@H]1CNCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000136247025 358869836 /nfs/dbraw/zinc/86/98/36/358869836.db2.gz LIYPHXWSJCOHQJ-LSCVPOLPSA-N 0 3 219.328 3.149 20 0 BGADHN C[C@@H]1C[C@@H]1CNCc1ccccc1Cl ZINC000136255154 325447739 /nfs/dbraw/zinc/44/77/39/325447739.db2.gz PDWZTWCEODQDLS-MWLCHTKSSA-N 0 3 209.720 3.086 20 0 BGADHN C[C@H]1C[C@@H]1CNCc1ccccc1Cl ZINC000136255192 388528521 /nfs/dbraw/zinc/52/85/21/388528521.db2.gz PDWZTWCEODQDLS-GXSJLCMTSA-N 0 3 209.720 3.086 20 0 BGADHN C[C@@H]1C[C@H]1CNCc1ccccc1Cl ZINC000136255229 388528207 /nfs/dbraw/zinc/52/82/07/388528207.db2.gz PDWZTWCEODQDLS-KOLCDFICSA-N 0 3 209.720 3.086 20 0 BGADHN C[C@H]1C[C@H]1CNCc1ccccc1Cl ZINC000136255268 325447780 /nfs/dbraw/zinc/44/77/80/325447780.db2.gz PDWZTWCEODQDLS-ONGXEEELSA-N 0 3 209.720 3.086 20 0 BGADHN C[C@@H]1C[C@@H]1CNCc1c(F)cccc1Cl ZINC000136255680 388528227 /nfs/dbraw/zinc/52/82/27/388528227.db2.gz OSBJTIHEMUFGIU-RKDXNWHRSA-N 0 3 227.710 3.225 20 0 BGADHN C[C@H]1C[C@@H]1CNCc1c(F)cccc1Cl ZINC000136255717 325447937 /nfs/dbraw/zinc/44/79/37/325447937.db2.gz OSBJTIHEMUFGIU-DTWKUNHWSA-N 0 3 227.710 3.225 20 0 BGADHN C[C@@H]1C[C@H]1CNCc1c(F)cccc1Cl ZINC000136255760 388528309 /nfs/dbraw/zinc/52/83/09/388528309.db2.gz OSBJTIHEMUFGIU-BDAKNGLRSA-N 0 3 227.710 3.225 20 0 BGADHN C[C@H]1C[C@H]1CNCc1c(F)cccc1Cl ZINC000136255795 325447801 /nfs/dbraw/zinc/44/78/01/325447801.db2.gz OSBJTIHEMUFGIU-IUCAKERBSA-N 0 3 227.710 3.225 20 0 BGADHN CC(C)(C)c1nc(CNCC2CCC2)cs1 ZINC000136270980 358870214 /nfs/dbraw/zinc/87/02/14/358870214.db2.gz RNQMLMFDINUTLU-UHFFFAOYSA-N 0 3 238.400 3.330 20 0 BGADHN CCC1(CNCc2cc(F)c(F)cc2F)CC1 ZINC000136295656 325449204 /nfs/dbraw/zinc/44/92/04/325449204.db2.gz BEHRDTWNQDQNND-UHFFFAOYSA-N 0 3 243.272 3.384 20 0 BGADHN CC1(CNCc2cc(F)c(F)cc2F)CCC1 ZINC000136296340 388528962 /nfs/dbraw/zinc/52/89/62/388528962.db2.gz SAKWIFFZUDHDAB-UHFFFAOYSA-N 0 3 243.272 3.384 20 0 BGADHN CC[C@@H]1CC[C@H](C)N1CC(=O)c1cc(C)[nH]c1C ZINC000136307257 358873693 /nfs/dbraw/zinc/87/36/93/358873693.db2.gz KLPDUULBPGTUTL-WCQYABFASA-N 0 3 248.370 3.077 20 0 BGADHN CC[C@H]1CC[C@H](C)N1CC(=O)c1cc(C)[nH]c1C ZINC000136307293 358873793 /nfs/dbraw/zinc/87/37/93/358873793.db2.gz KLPDUULBPGTUTL-AAEUAGOBSA-N 0 3 248.370 3.077 20 0 BGADHN CC[C@@H]1CC[C@@H](C)N1CC(=O)c1cc(C)[nH]c1C ZINC000136307332 358873723 /nfs/dbraw/zinc/87/37/23/358873723.db2.gz KLPDUULBPGTUTL-DGCLKSJQSA-N 0 3 248.370 3.077 20 0 BGADHN CC[C@H]1CC[C@@H](C)N1CC(=O)c1cc(C)[nH]c1C ZINC000136307371 358873932 /nfs/dbraw/zinc/87/39/32/358873932.db2.gz KLPDUULBPGTUTL-YPMHNXCESA-N 0 3 248.370 3.077 20 0 BGADHN Fc1cc(F)c(CNCCC2CCC2)cc1F ZINC000136320941 585029830 /nfs/dbraw/zinc/02/98/30/585029830.db2.gz CUORSANSPFLONW-UHFFFAOYSA-N 0 3 243.272 3.384 20 0 BGADHN Fc1ccc(CNC2CC=CC2)c(Cl)c1 ZINC000136342917 491056187 /nfs/dbraw/zinc/05/61/87/491056187.db2.gz RXLWAVDAOWUXAG-UHFFFAOYSA-N 0 3 225.694 3.287 20 0 BGADHN Cc1cc(N[C@@H](C)C[C@@H](C)O)c2ccccc2n1 ZINC000136368315 358874852 /nfs/dbraw/zinc/87/48/52/358874852.db2.gz NMJDQYNRHBEGDV-CMPLNLGQSA-N 0 3 244.338 3.115 20 0 BGADHN Cc1cc(N[C@H](C)C[C@@H](C)O)c2ccccc2n1 ZINC000136368364 358874872 /nfs/dbraw/zinc/87/48/72/358874872.db2.gz NMJDQYNRHBEGDV-ZYHUDNBSSA-N 0 3 244.338 3.115 20 0 BGADHN Cc1cc(N[C@@H](C)C[C@H](C)O)c2ccccc2n1 ZINC000136368397 358874841 /nfs/dbraw/zinc/87/48/41/358874841.db2.gz NMJDQYNRHBEGDV-JQWIXIFHSA-N 0 3 244.338 3.115 20 0 BGADHN Cc1cc(N[C@H](C)C[C@H](C)O)c2ccccc2n1 ZINC000136368441 358874346 /nfs/dbraw/zinc/87/43/46/358874346.db2.gz NMJDQYNRHBEGDV-PWSUYJOCSA-N 0 3 244.338 3.115 20 0 BGADHN FCCCNCc1ccc(-c2ccccc2)o1 ZINC000136521991 388540165 /nfs/dbraw/zinc/54/01/65/388540165.db2.gz BICNBZLIYMPUAF-UHFFFAOYSA-N 0 3 233.286 3.396 20 0 BGADHN Cc1ccoc1CN[C@@H]1CCOC2(CCCC2)C1 ZINC000136674079 387637195 /nfs/dbraw/zinc/63/71/95/387637195.db2.gz BQOIEYNHYIYMCS-CYBMUJFWSA-N 0 3 249.354 3.169 20 0 BGADHN Cc1ccoc1CN[C@H]1CCOC2(CCCC2)C1 ZINC000136674116 388545585 /nfs/dbraw/zinc/54/55/85/388545585.db2.gz BQOIEYNHYIYMCS-ZDUSSCGKSA-N 0 3 249.354 3.169 20 0 BGADHN CCOCCN(C)Cc1ccc(Cl)cc1C ZINC000136881841 388551681 /nfs/dbraw/zinc/55/16/81/388551681.db2.gz UXQBWVIKXWWODQ-UHFFFAOYSA-N 0 3 241.762 3.117 20 0 BGADHN Cc1nc2c(s1)[C@H](N(C)CCCF)CCC2 ZINC000137353067 180074600 /nfs/dbraw/zinc/07/46/00/180074600.db2.gz BFLQBKAZTNVTJI-LLVKDONJSA-N 0 3 242.363 3.120 20 0 BGADHN Cc1nc2c(s1)[C@@H](N(C)CCCF)CCC2 ZINC000137353120 180074012 /nfs/dbraw/zinc/07/40/12/180074012.db2.gz BFLQBKAZTNVTJI-NSHDSACASA-N 0 3 242.363 3.120 20 0 BGADHN CCN1CC[C@H](c2cccc(Cl)c2)C1 ZINC000137458163 356018685 /nfs/dbraw/zinc/01/86/85/356018685.db2.gz PRGVREDBDSNFQX-NSHDSACASA-N 0 3 209.720 3.149 20 0 BGADHN CCN1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000137458225 345679878 /nfs/dbraw/zinc/67/98/78/345679878.db2.gz PRGVREDBDSNFQX-LLVKDONJSA-N 0 3 209.720 3.149 20 0 BGADHN Cc1cccnc1[C@H](NCCCF)C(C)C ZINC000137476669 179398039 /nfs/dbraw/zinc/39/80/39/179398039.db2.gz HIILTNQZKKKZHN-GFCCVEGCSA-N 0 3 224.323 3.036 20 0 BGADHN Cc1cccnc1[C@@H](NCCCF)C(C)C ZINC000137476735 179397140 /nfs/dbraw/zinc/39/71/40/179397140.db2.gz HIILTNQZKKKZHN-LBPRGKRZSA-N 0 3 224.323 3.036 20 0 BGADHN CC1CCN(CCc2ccccc2F)CC1 ZINC000137553007 325485773 /nfs/dbraw/zinc/48/57/73/325485773.db2.gz VLTKZUGBDMYIOE-UHFFFAOYSA-N 0 3 221.319 3.100 20 0 BGADHN CC(C)c1ccc(CCN(C)[C@@H]2CCOC2)cc1 ZINC000137588823 323033284 /nfs/dbraw/zinc/03/32/84/323033284.db2.gz GICFTBRSWHSHGI-MRXNPFEDSA-N 0 3 247.382 3.073 20 0 BGADHN CC(C)c1ccc(CCN(C)[C@H]2CCOC2)cc1 ZINC000137588931 388562911 /nfs/dbraw/zinc/56/29/11/388562911.db2.gz GICFTBRSWHSHGI-INIZCTEOSA-N 0 3 247.382 3.073 20 0 BGADHN CCN1CCC(c2cccc(F)c2F)CC1 ZINC000137735205 345850137 /nfs/dbraw/zinc/85/01/37/345850137.db2.gz PVPDSHLJRGIZLL-UHFFFAOYSA-N 0 3 225.282 3.164 20 0 BGADHN Cc1csc(C2(NCCCF)CCCC2)n1 ZINC000137758081 384272370 /nfs/dbraw/zinc/27/23/70/384272370.db2.gz PBZYFFIEPVGJEF-UHFFFAOYSA-N 0 3 242.363 3.170 20 0 BGADHN CC[C@](C)(NCCCF)c1nc(C)cs1 ZINC000137760710 384273307 /nfs/dbraw/zinc/27/33/07/384273307.db2.gz NRQUOLZWRRYSCC-NSHDSACASA-N 0 3 230.352 3.026 20 0 BGADHN CC[C@@](C)(NCCCF)c1nc(C)cs1 ZINC000137760806 171174793 /nfs/dbraw/zinc/17/47/93/171174793.db2.gz NRQUOLZWRRYSCC-LLVKDONJSA-N 0 3 230.352 3.026 20 0 BGADHN COc1cccc(CN[C@@H](C)C2CCC2)c1F ZINC000137776384 491109003 /nfs/dbraw/zinc/10/90/03/491109003.db2.gz KOFQWFXHLNPNGQ-JTQLQIEISA-N 0 3 237.318 3.113 20 0 BGADHN COc1cccc(CN[C@H](C)C2CCC2)c1F ZINC000137776482 491109008 /nfs/dbraw/zinc/10/90/08/491109008.db2.gz KOFQWFXHLNPNGQ-SNVBAGLBSA-N 0 3 237.318 3.113 20 0 BGADHN Cc1cccc(CN2[C@H](C)CCC[C@@H]2C)n1 ZINC000138093663 358901884 /nfs/dbraw/zinc/90/18/84/358901884.db2.gz HMBSBTNWJGONJB-BETUJISGSA-N 0 3 218.344 3.153 20 0 BGADHN Cc1cccc(CN2[C@@H](C)CCC[C@@H]2C)n1 ZINC000138093765 345693550 /nfs/dbraw/zinc/69/35/50/345693550.db2.gz HMBSBTNWJGONJB-STQMWFEESA-N 0 3 218.344 3.153 20 0 BGADHN Cc1cccc(CN2[C@H](C)CCC[C@H]2C)n1 ZINC000138093865 345694015 /nfs/dbraw/zinc/69/40/15/345694015.db2.gz HMBSBTNWJGONJB-CHWSQXEVSA-N 0 3 218.344 3.153 20 0 BGADHN Cc1ccc(CN2[C@H](C)CCC[C@@H]2C)cn1 ZINC000138096156 491114112 /nfs/dbraw/zinc/11/41/12/491114112.db2.gz RDNZKFCADUQPST-BETUJISGSA-N 0 3 218.344 3.153 20 0 BGADHN Cc1ccc(CN2[C@@H](C)CCC[C@@H]2C)cn1 ZINC000138096288 491114107 /nfs/dbraw/zinc/11/41/07/491114107.db2.gz RDNZKFCADUQPST-STQMWFEESA-N 0 3 218.344 3.153 20 0 BGADHN Cc1ccc(CN2[C@H](C)CCC[C@H]2C)cn1 ZINC000138096383 491114109 /nfs/dbraw/zinc/11/41/09/491114109.db2.gz RDNZKFCADUQPST-CHWSQXEVSA-N 0 3 218.344 3.153 20 0 BGADHN CCc1cc(N2CCCCCC2)ccn1 ZINC000138163133 345693662 /nfs/dbraw/zinc/69/36/62/345693662.db2.gz SETUWYWYCLDCPO-UHFFFAOYSA-N 0 3 204.317 3.024 20 0 BGADHN C[C@@H](c1ccco1)N(CCCF)C1CC1 ZINC000138168662 176031671 /nfs/dbraw/zinc/03/16/71/176031671.db2.gz QVQSGWVHEFOJIC-JTQLQIEISA-N 0 3 211.280 3.165 20 0 BGADHN C[C@H](c1ccco1)N(CCCF)C1CC1 ZINC000138168772 177047662 /nfs/dbraw/zinc/04/76/62/177047662.db2.gz QVQSGWVHEFOJIC-SNVBAGLBSA-N 0 3 211.280 3.165 20 0 BGADHN CCN(CC)CCOC(=O)CCCC(C)(C)C ZINC000138169290 585015856 /nfs/dbraw/zinc/01/58/56/585015856.db2.gz CCFRYCKQSAMSJI-UHFFFAOYSA-N 0 3 243.391 3.088 20 0 BGADHN CSCCN(C)Cc1ccc2ccccc2n1 ZINC000138225299 358903723 /nfs/dbraw/zinc/90/37/23/358903723.db2.gz SEQCMXRUQQWYKJ-UHFFFAOYSA-N 0 3 246.379 3.030 20 0 BGADHN Cc1cc(NCCCCCO)c2ccccc2n1 ZINC000138631505 178158139 /nfs/dbraw/zinc/15/81/39/178158139.db2.gz YHQOKMIOADYXCK-UHFFFAOYSA-N 0 3 244.338 3.118 20 0 BGADHN C[C@@H](CCN[C@@H](C)c1ncc[nH]1)c1ccccc1 ZINC000138890443 175675482 /nfs/dbraw/zinc/67/54/82/175675482.db2.gz VHUGVNARJUZWAU-STQMWFEESA-N 0 3 243.354 3.254 20 0 BGADHN C[C@H](CCN[C@@H](C)c1ncc[nH]1)c1ccccc1 ZINC000138890523 491129548 /nfs/dbraw/zinc/12/95/48/491129548.db2.gz VHUGVNARJUZWAU-OLZOCXBDSA-N 0 3 243.354 3.254 20 0 BGADHN C[C@@H](NCC[C@H](C)c1ccccc1)c1ncc[nH]1 ZINC000138890623 491129572 /nfs/dbraw/zinc/12/95/72/491129572.db2.gz VHUGVNARJUZWAU-QWHCGFSZSA-N 0 3 243.354 3.254 20 0 BGADHN C[C@H](CCN[C@H](C)c1ncc[nH]1)c1ccccc1 ZINC000138890686 491129562 /nfs/dbraw/zinc/12/95/62/491129562.db2.gz VHUGVNARJUZWAU-CHWSQXEVSA-N 0 3 243.354 3.254 20 0 BGADHN CC[C@@H](Cc1ccccc1)N[C@@H](C)c1ncc[nH]1 ZINC000138973102 491130046 /nfs/dbraw/zinc/13/00/46/491130046.db2.gz AZKVMSLAPJIIDS-JSGCOSHPSA-N 0 3 243.354 3.082 20 0 BGADHN CC[C@H](Cc1ccccc1)N[C@@H](C)c1ncc[nH]1 ZINC000138973216 491129993 /nfs/dbraw/zinc/12/99/93/491129993.db2.gz AZKVMSLAPJIIDS-GXTWGEPZSA-N 0 3 243.354 3.082 20 0 BGADHN CC[C@@H](Cc1ccccc1)N[C@H](C)c1ncc[nH]1 ZINC000138973330 491130048 /nfs/dbraw/zinc/13/00/48/491130048.db2.gz AZKVMSLAPJIIDS-OCCSQVGLSA-N 0 3 243.354 3.082 20 0 BGADHN CC[C@H](Cc1ccccc1)N[C@H](C)c1ncc[nH]1 ZINC000138973450 491130010 /nfs/dbraw/zinc/13/00/10/491130010.db2.gz AZKVMSLAPJIIDS-TZMCWYRMSA-N 0 3 243.354 3.082 20 0 BGADHN CCCC1CCC(N[C@@H](C)c2ncc[nH]2)CC1 ZINC000138974745 538063996 /nfs/dbraw/zinc/06/39/96/538063996.db2.gz MRXKPJCOWAZIEW-HIFPTAJRSA-N 0 3 235.375 3.419 20 0 BGADHN CCCC1CCC(N[C@H](C)c2ncc[nH]2)CC1 ZINC000138974853 491130035 /nfs/dbraw/zinc/13/00/35/491130035.db2.gz MRXKPJCOWAZIEW-PNESKVBLSA-N 0 3 235.375 3.419 20 0 BGADHN C[C@H](N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1ncc[nH]1 ZINC000138982878 134787318 /nfs/dbraw/zinc/78/73/18/134787318.db2.gz SUBSGAJOFSILDM-IGQOVBAYSA-N 0 3 247.386 3.419 20 0 BGADHN CC(C)[C@@H]1CCCC[C@@H]1N[C@@H](C)c1ncc[nH]1 ZINC000138994774 191110411 /nfs/dbraw/zinc/11/04/11/191110411.db2.gz ORHKJPIVHHSCBB-AVGNSLFASA-N 0 3 235.375 3.275 20 0 BGADHN CC(C)[C@H]1CCCC[C@@H]1N[C@@H](C)c1ncc[nH]1 ZINC000138994890 191236175 /nfs/dbraw/zinc/23/61/75/191236175.db2.gz ORHKJPIVHHSCBB-XQQFMLRXSA-N 0 3 235.375 3.275 20 0 BGADHN CC(C)[C@@H]1CCCC[C@H]1N[C@@H](C)c1ncc[nH]1 ZINC000138994999 191235541 /nfs/dbraw/zinc/23/55/41/191235541.db2.gz ORHKJPIVHHSCBB-RWMBFGLXSA-N 0 3 235.375 3.275 20 0 BGADHN CC(C)[C@H]1CCCC[C@H]1N[C@@H](C)c1ncc[nH]1 ZINC000138995105 191235963 /nfs/dbraw/zinc/23/59/63/191235963.db2.gz ORHKJPIVHHSCBB-YNEHKIRRSA-N 0 3 235.375 3.275 20 0 BGADHN C[C@@H](CCc1ccccc1)N[C@@H](C)c1ncc[nH]1 ZINC000139013185 491130128 /nfs/dbraw/zinc/13/01/28/491130128.db2.gz AEAWEPJGPXOLTQ-STQMWFEESA-N 0 3 243.354 3.082 20 0 BGADHN C[C@@H](CCc1ccccc1)[NH2+][C@@H](C)c1ncc[nH]1 ZINC000139013185 491130127 /nfs/dbraw/zinc/13/01/27/491130127.db2.gz AEAWEPJGPXOLTQ-STQMWFEESA-N 0 3 243.354 3.082 20 0 BGADHN C[C@H](CCc1ccccc1)N[C@@H](C)c1ncc[nH]1 ZINC000139013293 491130203 /nfs/dbraw/zinc/13/02/03/491130203.db2.gz AEAWEPJGPXOLTQ-OLZOCXBDSA-N 0 3 243.354 3.082 20 0 BGADHN C[C@@H](N[C@@H](C)CCc1ccccc1)c1ncc[nH]1 ZINC000139013421 491130169 /nfs/dbraw/zinc/13/01/69/491130169.db2.gz AEAWEPJGPXOLTQ-QWHCGFSZSA-N 0 3 243.354 3.082 20 0 BGADHN C[C@H](CCc1ccccc1)N[C@H](C)c1ncc[nH]1 ZINC000139013523 491130211 /nfs/dbraw/zinc/13/02/11/491130211.db2.gz AEAWEPJGPXOLTQ-CHWSQXEVSA-N 0 3 243.354 3.082 20 0 BGADHN C[C@H](N[C@H]1CCC(C)(C)C[C@H]1C)c1ncc[nH]1 ZINC000139021370 537858569 /nfs/dbraw/zinc/85/85/69/537858569.db2.gz CWZUGOSTRCNZAW-WOPDTQHZSA-N 0 3 235.375 3.275 20 0 BGADHN C[C@H](N[C@H]1CCC(C)(C)C[C@@H]1C)c1ncc[nH]1 ZINC000139021481 491105132 /nfs/dbraw/zinc/10/51/32/491105132.db2.gz CWZUGOSTRCNZAW-SRVKXCTJSA-N 0 3 235.375 3.275 20 0 BGADHN C[C@H](N[C@@H]1CCC(C)(C)C[C@H]1C)c1ncc[nH]1 ZINC000139021567 491105156 /nfs/dbraw/zinc/10/51/56/491105156.db2.gz CWZUGOSTRCNZAW-GRYCIOLGSA-N 0 3 235.375 3.275 20 0 BGADHN C[C@H](N[C@@H]1CCC(C)(C)C[C@@H]1C)c1ncc[nH]1 ZINC000139021651 491105138 /nfs/dbraw/zinc/10/51/38/491105138.db2.gz CWZUGOSTRCNZAW-SDDRHHMPSA-N 0 3 235.375 3.275 20 0 BGADHN CC(C)C1CCC(N[C@@H](C)c2ncc[nH]2)CC1 ZINC000139044127 491130284 /nfs/dbraw/zinc/13/02/84/491130284.db2.gz HHLXEMVGTSREKT-HIFPTAJRSA-N 0 3 235.375 3.275 20 0 BGADHN CC(C)C1CCC(N[C@H](C)c2ncc[nH]2)CC1 ZINC000139044250 491130251 /nfs/dbraw/zinc/13/02/51/491130251.db2.gz HHLXEMVGTSREKT-PNESKVBLSA-N 0 3 235.375 3.275 20 0 BGADHN C[C@H](NC1CC(c2ccccc2)C1)c1ncc[nH]1 ZINC000139088496 384600207 /nfs/dbraw/zinc/60/02/07/384600207.db2.gz PGUIGXMTNLCLSI-XGNXJENSSA-N 0 3 241.338 3.007 20 0 BGADHN C[C@@H](NC1CC(c2ccccc2)C1)c1ncc[nH]1 ZINC000139088607 384602271 /nfs/dbraw/zinc/60/22/71/384602271.db2.gz PGUIGXMTNLCLSI-LMWSTFAQSA-N 0 3 241.338 3.007 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@H](C2CC2)C1)c1ncc[nH]1 ZINC000139103633 487638230 /nfs/dbraw/zinc/63/82/30/487638230.db2.gz HEVLRMMPYIFDKP-WCFLWFBJSA-N 0 3 233.359 3.029 20 0 BGADHN C[C@@H](N[C@@H]1CCC[C@H](C2CC2)C1)c1ncc[nH]1 ZINC000139103754 487639377 /nfs/dbraw/zinc/63/93/77/487639377.db2.gz HEVLRMMPYIFDKP-KGYLQXTDSA-N 0 3 233.359 3.029 20 0 BGADHN CC(C)[C@@H]1CCCN1Cc1nc2ccccc2o1 ZINC000140448045 345809483 /nfs/dbraw/zinc/80/94/83/345809483.db2.gz MFPOXEGZYXBAGH-ZDUSSCGKSA-N 0 3 244.338 3.448 20 0 BGADHN CCc1nc(CN2CCC[C@@H]2C(C)C)cs1 ZINC000140526718 345696302 /nfs/dbraw/zinc/69/63/02/345696302.db2.gz YYWWFYJFTRGQCH-GFCCVEGCSA-N 0 3 238.400 3.326 20 0 BGADHN CC(C)N1CCC(c2ccccc2F)CC1 ZINC000140549044 372712453 /nfs/dbraw/zinc/71/24/53/372712453.db2.gz FKVLUASRCRCCJQ-UHFFFAOYSA-N 0 3 221.319 3.414 20 0 BGADHN C[C@@H]1CN(CCCc2ccccc2)CC(C)(C)O1 ZINC000140666772 345697056 /nfs/dbraw/zinc/69/70/56/345697056.db2.gz OZVSJEYQQQBGET-CQSZACIVSA-N 0 3 247.382 3.119 20 0 BGADHN C[C@H]1CCCN1Cc1ccc(Cl)cc1 ZINC000140851721 358925651 /nfs/dbraw/zinc/92/56/51/358925651.db2.gz WJKQZYVTEMXPAP-JTQLQIEISA-N 0 3 209.720 3.324 20 0 BGADHN Cc1cccc(CCN(C)Cc2ccccc2)n1 ZINC000141328038 345860258 /nfs/dbraw/zinc/86/02/58/345860258.db2.gz CYVPNDAVVFXIJE-UHFFFAOYSA-N 0 3 240.350 3.065 20 0 BGADHN CC1(F)CCN(Cc2ccccc2)CC1 ZINC000141346595 490071362 /nfs/dbraw/zinc/07/13/62/490071362.db2.gz DSGBERPUHKJSML-UHFFFAOYSA-N 0 3 207.292 3.011 20 0 BGADHN c1cc2cc(CNCc3ccncc3)ccc2o1 ZINC000141393423 537858101 /nfs/dbraw/zinc/85/81/01/537858101.db2.gz WEVSIGPUGQNODA-UHFFFAOYSA-N 0 3 238.290 3.118 20 0 BGADHN c1ccc(OC2CC2)c(CN2CCCCC2)c1 ZINC000141638294 349603565 /nfs/dbraw/zinc/60/35/65/349603565.db2.gz HWCYYRCMVAOTNW-UHFFFAOYSA-N 0 3 231.339 3.214 20 0 BGADHN CC[C@@H](C)N1CCc2ccc(Cl)cc2C1 ZINC000141692474 345850097 /nfs/dbraw/zinc/85/00/97/345850097.db2.gz DYRLTUXMVGXRJT-SNVBAGLBSA-N 0 3 223.747 3.497 20 0 BGADHN Cc1ccc([C@H](C)NCc2cccc(N)c2)cc1 ZINC000142349298 490073589 /nfs/dbraw/zinc/07/35/89/490073589.db2.gz UXHRTHHQQVOYKS-ZDUSSCGKSA-N 0 3 240.350 3.428 20 0 BGADHN C#C[C@H](C)N(C)Cc1cccc2ccccc21 ZINC000143017542 583840342 /nfs/dbraw/zinc/84/03/42/583840342.db2.gz KMLYWUZISMKMCS-ZDUSSCGKSA-N 0 3 223.319 3.293 20 0 BGADHN C#C[C@@H](C)N(C)Cc1cccc2ccccc21 ZINC000143017741 582564385 /nfs/dbraw/zinc/56/43/85/582564385.db2.gz KMLYWUZISMKMCS-CYBMUJFWSA-N 0 3 223.319 3.293 20 0 BGADHN CC(C)CCCN1CCC(F)(F)CC1 ZINC000143287352 583856601 /nfs/dbraw/zinc/85/66/01/583856601.db2.gz JFOPIMDCMHBIGN-UHFFFAOYSA-N 0 3 205.292 3.154 20 0 BGADHN Clc1ccc2[nH]cc(CN3CCCC3)c2c1 ZINC000143465111 368348551 /nfs/dbraw/zinc/34/85/51/368348551.db2.gz UFHQQZWUVXQOCL-UHFFFAOYSA-N 0 3 234.730 3.417 20 0 BGADHN COc1ccc2c(c1)CCN(CC=C(C)C)CC2 ZINC000143954617 345914291 /nfs/dbraw/zinc/91/42/91/345914291.db2.gz SIZVSDAHXBJHCH-UHFFFAOYSA-N 0 3 245.366 3.062 20 0 BGADHN C#CCN(C(C)C)[C@@H](C)c1ccccc1 ZINC000144413837 583927400 /nfs/dbraw/zinc/92/74/00/583927400.db2.gz KIPBXKGWSREDHZ-ZDUSSCGKSA-N 0 3 201.313 3.091 20 0 BGADHN C#CCN(C(C)C)[C@H](C)c1ccccc1 ZINC000144414046 583927494 /nfs/dbraw/zinc/92/74/94/583927494.db2.gz KIPBXKGWSREDHZ-CYBMUJFWSA-N 0 3 201.313 3.091 20 0 BGADHN C#CCN(C)[C@@H](C)c1cccc2ccccc21 ZINC000144414247 582570514 /nfs/dbraw/zinc/57/05/14/582570514.db2.gz QXZJYZMRLIJONU-ZDUSSCGKSA-N 0 3 223.319 3.466 20 0 BGADHN C#CCN(C)[C@H](C)c1cccc2ccccc21 ZINC000144414465 582570527 /nfs/dbraw/zinc/57/05/27/582570527.db2.gz QXZJYZMRLIJONU-CYBMUJFWSA-N 0 3 223.319 3.466 20 0 BGADHN CN(CCc1ccccc1O)Cc1ccccc1 ZINC000144474030 344354669 /nfs/dbraw/zinc/35/46/69/344354669.db2.gz GEHFKRYTMNHOAE-UHFFFAOYSA-N 0 3 241.334 3.067 20 0 BGADHN CC(C)[C@@H]1CCN(Cc2c(F)cccc2F)C1 ZINC000144522150 345708739 /nfs/dbraw/zinc/70/87/39/345708739.db2.gz LULYQCWCBXGLGN-LLVKDONJSA-N 0 3 239.309 3.443 20 0 BGADHN CC(C)[C@H]1CCN(Cc2c(F)cccc2F)C1 ZINC000144522335 345708996 /nfs/dbraw/zinc/70/89/96/345708996.db2.gz LULYQCWCBXGLGN-NSHDSACASA-N 0 3 239.309 3.443 20 0 BGADHN COc1ccccc1/C=C\CN1CCC(C)CC1 ZINC000144965533 345709416 /nfs/dbraw/zinc/70/94/16/345709416.db2.gz VPBXSJQIQVYSOU-ALCCZGGFSA-N 0 3 245.366 3.440 20 0 BGADHN Cl/C=C/CN[C@H]1CCc2ccccc21 ZINC000145541339 710600116 /nfs/dbraw/zinc/60/01/16/710600116.db2.gz MLLXGVLJGYOTNZ-DGDCUBRUSA-N 0 3 207.704 3.016 20 0 BGADHN Cl/C=C/CN[C@@H]1CCc2ccccc21 ZINC000145541534 710600201 /nfs/dbraw/zinc/60/02/01/710600201.db2.gz MLLXGVLJGYOTNZ-STWLFGJUSA-N 0 3 207.704 3.016 20 0 BGADHN CC(C)(C)OC1CCN(Cc2ccccc2)CC1 ZINC000145582816 384778359 /nfs/dbraw/zinc/77/83/59/384778359.db2.gz CZPDKYUQUQHMIY-UHFFFAOYSA-N 0 3 247.382 3.466 20 0 BGADHN c1cc2ccc(OCCN3CCCCC3)cc2[nH]1 ZINC000145633786 583933090 /nfs/dbraw/zinc/93/30/90/583933090.db2.gz OBFVJRNQBVWENW-UHFFFAOYSA-N 0 3 244.338 3.033 20 0 BGADHN CCCN1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000145670206 169187464 /nfs/dbraw/zinc/18/74/64/169187464.db2.gz WNLNVAWUSSKIMH-UHFFFAOYSA-N 0 3 249.329 3.130 20 0 BGADHN Cc1cncc(-c2ccc(CN(C)C)cc2)c1 ZINC000146009059 582572194 /nfs/dbraw/zinc/57/21/94/582572194.db2.gz YMJMFKXFLXBEHB-UHFFFAOYSA-N 0 3 226.323 3.119 20 0 BGADHN CC(C)N(C)Cc1cnc2ccccc2c1 ZINC000146504696 582795907 /nfs/dbraw/zinc/79/59/07/582795907.db2.gz ZAQGMCRILQXKAV-UHFFFAOYSA-N 0 3 214.312 3.075 20 0 BGADHN CCOCCN(Cc1ccc(F)cc1)C(C)C ZINC000146579291 345713897 /nfs/dbraw/zinc/71/38/97/345713897.db2.gz CIDDSRYSRXNAHM-UHFFFAOYSA-N 0 3 239.334 3.073 20 0 BGADHN CC[C@H](C)N1CCc2ccc(Cl)cc2C1 ZINC000146685265 345714830 /nfs/dbraw/zinc/71/48/30/345714830.db2.gz DYRLTUXMVGXRJT-JTQLQIEISA-N 0 3 223.747 3.497 20 0 BGADHN Cc1cc(C)c(CN(C)C[C@H]2CCCO2)c(C)c1 ZINC000146687996 344367853 /nfs/dbraw/zinc/36/78/53/344367853.db2.gz GQSNWLRLTJWATC-OAHLLOKOSA-N 0 3 247.382 3.223 20 0 BGADHN Cc1ccc(F)cc1CN1CCCCC1 ZINC000146706865 191087989 /nfs/dbraw/zinc/08/79/89/191087989.db2.gz VPBLROOZSQHHKJ-UHFFFAOYSA-N 0 3 207.292 3.120 20 0 BGADHN CCCN(C)Cc1cnc2ccccc2c1 ZINC000147291440 346012265 /nfs/dbraw/zinc/01/22/65/346012265.db2.gz VEUQLHNGYSPSIL-UHFFFAOYSA-N 0 3 214.312 3.077 20 0 BGADHN CC(C)N1CCS[C@H](c2ccccc2)C1 ZINC000147360217 344373051 /nfs/dbraw/zinc/37/30/51/344373051.db2.gz DBYWBAOSGMTVSL-ZDUSSCGKSA-N 0 3 221.369 3.185 20 0 BGADHN CC(C)N1CCS[C@@H](c2ccccc2)C1 ZINC000147360404 345711161 /nfs/dbraw/zinc/71/11/61/345711161.db2.gz DBYWBAOSGMTVSL-CYBMUJFWSA-N 0 3 221.369 3.185 20 0 BGADHN CC[C@@H]1CCCN1Cc1ccc(F)c(F)c1 ZINC000147612224 346027388 /nfs/dbraw/zinc/02/73/88/346027388.db2.gz QTXDBRSQVIHDJU-LLVKDONJSA-N 0 3 225.282 3.339 20 0 BGADHN CC[C@H]1CCCN1Cc1ccc(F)c(F)c1 ZINC000147612441 346027508 /nfs/dbraw/zinc/02/75/08/346027508.db2.gz QTXDBRSQVIHDJU-NSHDSACASA-N 0 3 225.282 3.339 20 0 BGADHN Fc1cccc2c1CC[C@@H]2NCCC(F)(F)F ZINC000147773136 384453849 /nfs/dbraw/zinc/45/38/49/384453849.db2.gz HIFDEQUFUIPYGP-NSHDSACASA-N 0 3 247.235 3.355 20 0 BGADHN Fc1cccc2c1CC[C@H]2NCCC(F)(F)F ZINC000147773357 384454008 /nfs/dbraw/zinc/45/40/08/384454008.db2.gz HIFDEQUFUIPYGP-LLVKDONJSA-N 0 3 247.235 3.355 20 0 BGADHN CC1(C)CCN(CCC(F)(F)F)CC1 ZINC000147911787 345718624 /nfs/dbraw/zinc/71/86/24/345718624.db2.gz RNVUPLLUXJTTRJ-UHFFFAOYSA-N 0 3 209.255 3.061 20 0 BGADHN CC(C)N1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000147997911 384866655 /nfs/dbraw/zinc/86/66/55/384866655.db2.gz KTQRIBNCHHSZCM-UHFFFAOYSA-N 0 3 249.329 3.129 20 0 BGADHN CCN1CC=C(c2ccc(C)cc2)CC1 ZINC000148162254 583881887 /nfs/dbraw/zinc/88/18/87/583881887.db2.gz XEBZRJKJIJSPSI-UHFFFAOYSA-N 0 3 201.313 3.104 20 0 BGADHN CC(C)[C@@H]1CCC[C@H](NCc2ccon2)CC1 ZINC000148627391 541400433 /nfs/dbraw/zinc/40/04/33/541400433.db2.gz DPBNUFVBSLNCIJ-OLZOCXBDSA-N 0 3 236.359 3.369 20 0 BGADHN CC(C)[C@H]1CCC[C@H](NCc2ccon2)CC1 ZINC000148627619 541400529 /nfs/dbraw/zinc/40/05/29/541400529.db2.gz DPBNUFVBSLNCIJ-STQMWFEESA-N 0 3 236.359 3.369 20 0 BGADHN CC(C)[C@@H]1CCC[C@@H](NCc2ccon2)CC1 ZINC000148627797 541400503 /nfs/dbraw/zinc/40/05/03/541400503.db2.gz DPBNUFVBSLNCIJ-CHWSQXEVSA-N 0 3 236.359 3.369 20 0 BGADHN CC(C)[C@H]1CCC[C@@H](NCc2ccon2)CC1 ZINC000148628007 541400451 /nfs/dbraw/zinc/40/04/51/541400451.db2.gz DPBNUFVBSLNCIJ-QWHCGFSZSA-N 0 3 236.359 3.369 20 0 BGADHN CCC[C@@H](CC)NCc1cn2ccsc2n1 ZINC000148684435 169379216 /nfs/dbraw/zinc/37/92/16/169379216.db2.gz FPSXEZDWKRKWHD-SNVBAGLBSA-N 0 3 237.372 3.064 20 0 BGADHN CCC[C@H](CC)NCc1cn2ccsc2n1 ZINC000148684662 188157162 /nfs/dbraw/zinc/15/71/62/188157162.db2.gz FPSXEZDWKRKWHD-JTQLQIEISA-N 0 3 237.372 3.064 20 0 BGADHN c1cc(CN[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)no1 ZINC000148707463 583381503 /nfs/dbraw/zinc/38/15/03/583381503.db2.gz UXACXRYEWTYACV-YNEHKIRRSA-N 0 3 234.343 3.123 20 0 BGADHN c1cc(CN[C@@H]2CC[C@H]3CCCC[C@@H]3C2)no1 ZINC000148707936 583381047 /nfs/dbraw/zinc/38/10/47/583381047.db2.gz UXACXRYEWTYACV-JHJVBQTASA-N 0 3 234.343 3.123 20 0 BGADHN C[C@@H]1CC[C@H](CNCc2ccc(Cl)s2)O1 ZINC000148727958 386450551 /nfs/dbraw/zinc/45/05/51/386450551.db2.gz MUURQFYHGBBMSI-RKDXNWHRSA-N 0 3 245.775 3.059 20 0 BGADHN C[C@H]1CC[C@H](CNCc2ccc(Cl)s2)O1 ZINC000148728099 386448849 /nfs/dbraw/zinc/44/88/49/386448849.db2.gz MUURQFYHGBBMSI-DTWKUNHWSA-N 0 3 245.775 3.059 20 0 BGADHN C[C@@H]1CC[C@@H](CNCc2ccc(Cl)s2)O1 ZINC000148728255 386448320 /nfs/dbraw/zinc/44/83/20/386448320.db2.gz MUURQFYHGBBMSI-BDAKNGLRSA-N 0 3 245.775 3.059 20 0 BGADHN C[C@H]1CC[C@@H](CNCc2ccc(Cl)s2)O1 ZINC000148728395 386458801 /nfs/dbraw/zinc/45/88/01/386458801.db2.gz MUURQFYHGBBMSI-IUCAKERBSA-N 0 3 245.775 3.059 20 0 BGADHN CC(C)[C@H]1CC[C@@H](C)C[C@H]1NCc1ccon1 ZINC000148731893 386523822 /nfs/dbraw/zinc/52/38/22/386523822.db2.gz BWHNMTMUQZIJCD-MRVWCRGKSA-N 0 3 236.359 3.225 20 0 BGADHN Cc1csc(C2CCN(C(C)C)CC2)n1 ZINC000148795227 384470636 /nfs/dbraw/zinc/47/06/36/384470636.db2.gz GUGFXLCLADQPRG-UHFFFAOYSA-N 0 3 224.373 3.039 20 0 BGADHN C[C@H](NCCCCC(F)(F)F)c1ccccn1 ZINC000148945836 384910458 /nfs/dbraw/zinc/91/04/58/384910458.db2.gz DWQFILKYUKUBRZ-JTQLQIEISA-N 0 3 246.276 3.465 20 0 BGADHN C[C@@H](NCCCCC(F)(F)F)c1ccccn1 ZINC000148946041 175874231 /nfs/dbraw/zinc/87/42/31/175874231.db2.gz DWQFILKYUKUBRZ-SNVBAGLBSA-N 0 3 246.276 3.465 20 0 BGADHN CC1(C)CCC[C@@H]1NCc1nc2ccccc2[nH]1 ZINC000149205375 384478356 /nfs/dbraw/zinc/47/83/56/384478356.db2.gz RRLDZDMZMHAQOB-ZDUSSCGKSA-N 0 3 243.354 3.231 20 0 BGADHN CC1(C)CCC[C@H]1NCc1nc2ccccc2[nH]1 ZINC000149205585 384478161 /nfs/dbraw/zinc/47/81/61/384478161.db2.gz RRLDZDMZMHAQOB-CYBMUJFWSA-N 0 3 243.354 3.231 20 0 BGADHN Clc1ccc2c(c1)C[C@H](NCc1ccco1)C2 ZINC000149270663 384474596 /nfs/dbraw/zinc/47/45/96/384474596.db2.gz MURSJCSGSBFWPK-CYBMUJFWSA-N 0 3 247.725 3.190 20 0 BGADHN Clc1ccc2c(c1)C[C@@H](NCc1ccco1)C2 ZINC000149270845 384474893 /nfs/dbraw/zinc/47/48/93/384474893.db2.gz MURSJCSGSBFWPK-ZDUSSCGKSA-N 0 3 247.725 3.190 20 0 BGADHN CCN1CCC(c2ccccc2F)CC1 ZINC000149280551 397800968 /nfs/dbraw/zinc/80/09/68/397800968.db2.gz LQCVKYFZYFGRGI-UHFFFAOYSA-N 0 3 207.292 3.025 20 0 BGADHN C[C@H](N[C@@H]1CCCC(C)(C)C1)c1cnccn1 ZINC000149368131 384926101 /nfs/dbraw/zinc/92/61/01/384926101.db2.gz WWXWEIUNZCLCAE-NWDGAFQWSA-N 0 3 233.359 3.096 20 0 BGADHN C[C@@H](N[C@@H]1CCCC(C)(C)C1)c1cnccn1 ZINC000149368333 384928401 /nfs/dbraw/zinc/92/84/01/384928401.db2.gz WWXWEIUNZCLCAE-VXGBXAGGSA-N 0 3 233.359 3.096 20 0 BGADHN C[C@H](N[C@H]1CCCC(C)(C)C1)c1cnccn1 ZINC000149368515 384928716 /nfs/dbraw/zinc/92/87/16/384928716.db2.gz WWXWEIUNZCLCAE-RYUDHWBXSA-N 0 3 233.359 3.096 20 0 BGADHN C[C@@H](N[C@H]1CCCC(C)(C)C1)c1cnccn1 ZINC000149368725 384926239 /nfs/dbraw/zinc/92/62/39/384926239.db2.gz WWXWEIUNZCLCAE-NEPJUHHUSA-N 0 3 233.359 3.096 20 0 BGADHN Cc1nc(CN(CC(C)C)C(C)C)cs1 ZINC000149416014 384930087 /nfs/dbraw/zinc/93/00/87/384930087.db2.gz PJFFYRYGWHAJEO-UHFFFAOYSA-N 0 3 226.389 3.318 20 0 BGADHN CCCCCN(C)Cc1ccc(OC)c(O)c1 ZINC000149465825 384930964 /nfs/dbraw/zinc/93/09/64/384930964.db2.gz IDVQDKQZTDGBEU-UHFFFAOYSA-N 0 3 237.343 3.023 20 0 BGADHN COc1ccc(F)cc1[C@H](C)NCC1CCC1 ZINC000149486503 384480011 /nfs/dbraw/zinc/48/00/11/384480011.db2.gz CCLIFBQNFCYFJS-JTQLQIEISA-N 0 3 237.318 3.285 20 0 BGADHN COc1ccc(F)cc1[C@@H](C)NCC1CCC1 ZINC000149486709 384479253 /nfs/dbraw/zinc/47/92/53/384479253.db2.gz CCLIFBQNFCYFJS-SNVBAGLBSA-N 0 3 237.318 3.285 20 0 BGADHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCCC(C)(C)C2)n1 ZINC000149516969 384480481 /nfs/dbraw/zinc/48/04/81/384480481.db2.gz RJNNHUYKKKCKNF-GFCCVEGCSA-N 0 3 248.370 3.154 20 0 BGADHN Cc1ccc([O-])c(C[NH2+][C@H]2CCCC(C)(C)C2)n1 ZINC000149517206 134450813 /nfs/dbraw/zinc/45/08/13/134450813.db2.gz RJNNHUYKKKCKNF-LBPRGKRZSA-N 0 3 248.370 3.154 20 0 BGADHN C[C@H](N[C@@H]1CCCC(C)(C)C1)c1nccn1C ZINC000149550387 384481602 /nfs/dbraw/zinc/48/16/02/384481602.db2.gz BNMKMKDDGOZFIE-NWDGAFQWSA-N 0 3 235.375 3.040 20 0 BGADHN C[C@@H](N[C@@H]1CCCC(C)(C)C1)c1nccn1C ZINC000149550649 384483677 /nfs/dbraw/zinc/48/36/77/384483677.db2.gz BNMKMKDDGOZFIE-VXGBXAGGSA-N 0 3 235.375 3.040 20 0 BGADHN C[C@H](N[C@H]1CCCC(C)(C)C1)c1nccn1C ZINC000149550899 384481774 /nfs/dbraw/zinc/48/17/74/384481774.db2.gz BNMKMKDDGOZFIE-RYUDHWBXSA-N 0 3 235.375 3.040 20 0 BGADHN C[C@@H](N[C@H]1CCCC(C)(C)C1)c1nccn1C ZINC000149551120 384482980 /nfs/dbraw/zinc/48/29/80/384482980.db2.gz BNMKMKDDGOZFIE-NEPJUHHUSA-N 0 3 235.375 3.040 20 0 BGADHN CCCCCC(C)(C)CNCc1ccn(C)n1 ZINC000149718931 639078500 /nfs/dbraw/zinc/07/85/00/639078500.db2.gz LBOPTRFDQLVWPR-UHFFFAOYSA-N 0 3 237.391 3.116 20 0 BGADHN CC(C)CC1(CNCc2ccn(C)n2)CCCC1 ZINC000149719754 344127985 /nfs/dbraw/zinc/12/79/85/344127985.db2.gz KFQQMXHKCGYMKH-UHFFFAOYSA-N 0 3 249.402 3.116 20 0 BGADHN CC(C)N1CC=C(c2ccc(F)cc2)CC1 ZINC000149758778 384482715 /nfs/dbraw/zinc/48/27/15/384482715.db2.gz HXRUYTWTYFXFBZ-UHFFFAOYSA-N 0 3 219.303 3.323 20 0 BGADHN CCn1ccnc1CN[C@@H](C)C1CCCCCC1 ZINC000149824027 322963695 /nfs/dbraw/zinc/96/36/95/322963695.db2.gz BLHWYWRJMCATMA-ZDUSSCGKSA-N 0 3 249.402 3.352 20 0 BGADHN C[C@H](N[C@@H](C)C1CCCCCC1)c1nccn1C ZINC000149854029 487572108 /nfs/dbraw/zinc/57/21/08/487572108.db2.gz LZUNPSHRJOFNRV-STQMWFEESA-N 0 3 249.402 3.430 20 0 BGADHN C[C@@H](N[C@@H](C)C1CCCCCC1)c1nccn1C ZINC000149854218 487571932 /nfs/dbraw/zinc/57/19/32/487571932.db2.gz LZUNPSHRJOFNRV-QWHCGFSZSA-N 0 3 249.402 3.430 20 0 BGADHN CCN1CC=C(c2ccc(Cl)cc2)CC1 ZINC000149860060 410173379 /nfs/dbraw/zinc/17/33/79/410173379.db2.gz CUXBAKKJIJWRRX-UHFFFAOYSA-N 0 3 221.731 3.449 20 0 BGADHN CCn1ccnc1CN[C@H](C)C1CCCCCC1 ZINC000150025558 344530871 /nfs/dbraw/zinc/53/08/71/344530871.db2.gz BLHWYWRJMCATMA-CYBMUJFWSA-N 0 3 249.402 3.352 20 0 BGADHN C[C@@H](N[C@@H](C)c1nccn1C)C1CCCCCC1 ZINC000150054494 487585806 /nfs/dbraw/zinc/58/58/06/487585806.db2.gz LZUNPSHRJOFNRV-OLZOCXBDSA-N 0 3 249.402 3.430 20 0 BGADHN C[C@@H](N[C@H](C)C1CCCCCC1)c1nccn1C ZINC000150054707 487585835 /nfs/dbraw/zinc/58/58/35/487585835.db2.gz LZUNPSHRJOFNRV-CHWSQXEVSA-N 0 3 249.402 3.430 20 0 BGADHN FC(F)c1ccc(CNCc2ccncc2)cc1 ZINC000150072793 384484445 /nfs/dbraw/zinc/48/44/45/384484445.db2.gz CVXVEGUVJGXULS-UHFFFAOYSA-N 0 3 248.276 3.309 20 0 BGADHN FC(F)c1ccc(CNCc2cccnc2)cc1 ZINC000150073006 384485995 /nfs/dbraw/zinc/48/59/95/384485995.db2.gz RBOIEAYURRZMRB-UHFFFAOYSA-N 0 3 248.276 3.309 20 0 BGADHN CCOC[C@@H](C)NCc1ccc(C(F)F)cc1 ZINC000150129577 134805015 /nfs/dbraw/zinc/80/50/15/134805015.db2.gz SKGPHELQIXTWEC-SNVBAGLBSA-N 0 3 243.297 3.139 20 0 BGADHN CCOC[C@H](C)NCc1ccc(C(F)F)cc1 ZINC000150129811 398314712 /nfs/dbraw/zinc/31/47/12/398314712.db2.gz SKGPHELQIXTWEC-JTQLQIEISA-N 0 3 243.297 3.139 20 0 BGADHN CC(C)CN1CCN(CCCC(C)(C)C)CC1 ZINC000150144608 345737814 /nfs/dbraw/zinc/73/78/14/345737814.db2.gz JCOYGEIAUINHOE-UHFFFAOYSA-N 0 3 240.435 3.086 20 0 BGADHN CC[C@@H](COC)NCc1ccc(C(F)F)cc1 ZINC000150156245 384964783 /nfs/dbraw/zinc/96/47/83/384964783.db2.gz DRBGDMXYJSISQG-LBPRGKRZSA-N 0 3 243.297 3.139 20 0 BGADHN CC[C@H](COC)NCc1ccc(C(F)F)cc1 ZINC000150156445 384965630 /nfs/dbraw/zinc/96/56/30/384965630.db2.gz DRBGDMXYJSISQG-GFCCVEGCSA-N 0 3 243.297 3.139 20 0 BGADHN CC[C@@H]1CCCCCN1Cc1cc(C)on1 ZINC000150736330 387757225 /nfs/dbraw/zinc/75/72/25/387757225.db2.gz NSHBCCUPRGMINM-CYBMUJFWSA-N 0 3 222.332 3.138 20 0 BGADHN CC[C@H]1CCCCCN1Cc1cc(C)on1 ZINC000150736339 387758707 /nfs/dbraw/zinc/75/87/07/387758707.db2.gz NSHBCCUPRGMINM-ZDUSSCGKSA-N 0 3 222.332 3.138 20 0 BGADHN CC[C@@H]1CCCCCN1Cc1nccn1CC ZINC000150740255 387757278 /nfs/dbraw/zinc/75/72/78/387757278.db2.gz VZPKCGSKSWUEHQ-CYBMUJFWSA-N 0 3 235.375 3.058 20 0 BGADHN CC[C@H]1CCCCCN1Cc1nccn1CC ZINC000150740274 191113417 /nfs/dbraw/zinc/11/34/17/191113417.db2.gz VZPKCGSKSWUEHQ-ZDUSSCGKSA-N 0 3 235.375 3.058 20 0 BGADHN CC[C@@H]1CCCCCN1Cc1nc(C)c(C)o1 ZINC000150743880 384527949 /nfs/dbraw/zinc/52/79/49/384527949.db2.gz MJZITZDUPHLLCZ-CYBMUJFWSA-N 0 3 236.359 3.446 20 0 BGADHN CC[C@H]1CCCCCN1Cc1nc(C)c(C)o1 ZINC000150743895 384526948 /nfs/dbraw/zinc/52/69/48/384526948.db2.gz MJZITZDUPHLLCZ-ZDUSSCGKSA-N 0 3 236.359 3.446 20 0 BGADHN CCCC1(CNCc2ccco2)CCC1 ZINC000150795325 387773375 /nfs/dbraw/zinc/77/33/75/387773375.db2.gz SJDXKJBNVBUWMM-UHFFFAOYSA-N 0 3 207.317 3.340 20 0 BGADHN CCCC[C@@H](COC)NCc1ccc(CC)o1 ZINC000150800036 384598044 /nfs/dbraw/zinc/59/80/44/384598044.db2.gz LWDCYWPPEYSVKW-LBPRGKRZSA-N 0 3 239.359 3.137 20 0 BGADHN CCCC[C@H](COC)NCc1ccc(CC)o1 ZINC000150800058 384596792 /nfs/dbraw/zinc/59/67/92/384596792.db2.gz LWDCYWPPEYSVKW-GFCCVEGCSA-N 0 3 239.359 3.137 20 0 BGADHN CCc1ccc(CN[C@@H](C)CC(C)(C)OC)o1 ZINC000150846585 385066435 /nfs/dbraw/zinc/06/64/35/385066435.db2.gz JGKUBXOPPHSDSF-NSHDSACASA-N 0 3 239.359 3.135 20 0 BGADHN CCc1ccc(CN[C@H](C)CC(C)(C)OC)o1 ZINC000150846608 385067271 /nfs/dbraw/zinc/06/72/71/385067271.db2.gz JGKUBXOPPHSDSF-LLVKDONJSA-N 0 3 239.359 3.135 20 0 BGADHN CCN(Cc1nc2cc(F)ccc2o1)C(C)C ZINC000150871069 384516476 /nfs/dbraw/zinc/51/64/76/384516476.db2.gz PUJYXDSYTCPSAU-UHFFFAOYSA-N 0 3 236.290 3.197 20 0 BGADHN CC(C)CN[C@@H](C)c1cccnc1Cl ZINC000150937560 167011414 /nfs/dbraw/zinc/01/14/14/167011414.db2.gz UKDQANXPLFQJRG-VIFPVBQESA-N 0 3 212.724 3.042 20 0 BGADHN CC(C)CN[C@H](C)c1cccnc1Cl ZINC000150937596 167014084 /nfs/dbraw/zinc/01/40/84/167014084.db2.gz UKDQANXPLFQJRG-SECBINFHSA-N 0 3 212.724 3.042 20 0 BGADHN CC[C@@H](C)N(C)Cc1nc2cc(F)ccc2o1 ZINC000150974003 384526081 /nfs/dbraw/zinc/52/60/81/384526081.db2.gz SMGWLLDYRYVKOI-SECBINFHSA-N 0 3 236.290 3.197 20 0 BGADHN CC[C@H](C)N(C)Cc1nc2cc(F)ccc2o1 ZINC000150974047 384525354 /nfs/dbraw/zinc/52/53/54/384525354.db2.gz SMGWLLDYRYVKOI-VIFPVBQESA-N 0 3 236.290 3.197 20 0 BGADHN CC[C@@H](C)N[C@@H](CC)c1nc(C)cs1 ZINC000150997852 387788885 /nfs/dbraw/zinc/78/88/85/387788885.db2.gz INKZSBXVNFTKOC-SCZZXKLOSA-N 0 3 212.362 3.291 20 0 BGADHN CC[C@H](C)N[C@@H](CC)c1nc(C)cs1 ZINC000150997908 171346163 /nfs/dbraw/zinc/34/61/63/171346163.db2.gz INKZSBXVNFTKOC-WPRPVWTQSA-N 0 3 212.362 3.291 20 0 BGADHN CC[C@@H](C)N[C@H](CC)c1nc(C)cs1 ZINC000150997958 387789208 /nfs/dbraw/zinc/78/92/08/387789208.db2.gz INKZSBXVNFTKOC-PSASIEDQSA-N 0 3 212.362 3.291 20 0 BGADHN CC[C@@H](N[C@@H](C)CC)c1nc(C)cs1 ZINC000150998004 171347770 /nfs/dbraw/zinc/34/77/70/171347770.db2.gz INKZSBXVNFTKOC-WCBMZHEXSA-N 0 3 212.362 3.291 20 0 BGADHN CCc1ccc(CNCC2(CC)CC2)o1 ZINC000151008473 387790941 /nfs/dbraw/zinc/79/09/41/387790941.db2.gz YASLKZQKDRHTRW-UHFFFAOYSA-N 0 3 207.317 3.122 20 0 BGADHN CCc1ccc(CNCC2(C)CCC2)o1 ZINC000151011641 387792323 /nfs/dbraw/zinc/79/23/23/387792323.db2.gz XOKFETHUFMTGCX-UHFFFAOYSA-N 0 3 207.317 3.122 20 0 BGADHN COc1ccc(CN[C@@H](C)CC(F)(F)F)cc1 ZINC000151023199 387793696 /nfs/dbraw/zinc/79/36/96/387793696.db2.gz RLMHFYFXWBXMGO-VIFPVBQESA-N 0 3 247.260 3.126 20 0 BGADHN COc1ccc(CN[C@H](C)CC(F)(F)F)cc1 ZINC000151023243 387794664 /nfs/dbraw/zinc/79/46/64/387794664.db2.gz RLMHFYFXWBXMGO-SECBINFHSA-N 0 3 247.260 3.126 20 0 BGADHN CCCN(Cc1nc2cc(F)ccc2o1)C1CC1 ZINC000151024411 323005708 /nfs/dbraw/zinc/00/57/08/323005708.db2.gz PCOZDDQUHIJVKA-UHFFFAOYSA-N 0 3 248.301 3.341 20 0 BGADHN CCCCN[C@@H](C)c1cccnc1Cl ZINC000151037733 387797240 /nfs/dbraw/zinc/79/72/40/387797240.db2.gz SHGCCDBAVOWPSH-VIFPVBQESA-N 0 3 212.724 3.186 20 0 BGADHN CCCCN[C@H](C)c1cccnc1Cl ZINC000151037778 387796971 /nfs/dbraw/zinc/79/69/71/387796971.db2.gz SHGCCDBAVOWPSH-SECBINFHSA-N 0 3 212.724 3.186 20 0 BGADHN CCc1ccc([C@@H](C)N[C@@H](C)CSC)o1 ZINC000151038505 387798148 /nfs/dbraw/zinc/79/81/48/387798148.db2.gz FXYSEMPHJKUDEC-VHSXEESVSA-N 0 3 227.373 3.244 20 0 BGADHN CCc1ccc([C@H](C)N[C@@H](C)CSC)o1 ZINC000151038563 384535563 /nfs/dbraw/zinc/53/55/63/384535563.db2.gz FXYSEMPHJKUDEC-UWVGGRQHSA-N 0 3 227.373 3.244 20 0 BGADHN CCc1ccc([C@@H](C)N[C@H](C)CSC)o1 ZINC000151038613 387798099 /nfs/dbraw/zinc/79/80/99/387798099.db2.gz FXYSEMPHJKUDEC-NXEZZACHSA-N 0 3 227.373 3.244 20 0 BGADHN CCc1ccc([C@H](C)N[C@H](C)CSC)o1 ZINC000151038660 387798121 /nfs/dbraw/zinc/79/81/21/387798121.db2.gz FXYSEMPHJKUDEC-ZJUUUORDSA-N 0 3 227.373 3.244 20 0 BGADHN CC(C)=CCC[C@H](C)NCc1ccccn1 ZINC000151056282 188157187 /nfs/dbraw/zinc/15/71/87/188157187.db2.gz YAXQSFDNHZUHST-ZDUSSCGKSA-N 0 3 218.344 3.306 20 0 BGADHN CC(C)=CCC[C@@H](C)NCc1ccccn1 ZINC000151056329 385085090 /nfs/dbraw/zinc/08/50/90/385085090.db2.gz YAXQSFDNHZUHST-CYBMUJFWSA-N 0 3 218.344 3.306 20 0 BGADHN C[C@@H](CSC(C)(C)C)NCc1cccnc1 ZINC000151088633 385085747 /nfs/dbraw/zinc/08/57/47/385085747.db2.gz HEPIMILEJJBTOM-NSHDSACASA-N 0 3 238.400 3.091 20 0 BGADHN C[C@H](CSC(C)(C)C)NCc1cccnc1 ZINC000151088681 385084092 /nfs/dbraw/zinc/08/40/92/385084092.db2.gz HEPIMILEJJBTOM-LLVKDONJSA-N 0 3 238.400 3.091 20 0 BGADHN CSCCN(C)CCSc1ccccc1 ZINC000151132105 191114606 /nfs/dbraw/zinc/11/46/06/191114606.db2.gz GTULYILMJNONCG-UHFFFAOYSA-N 0 3 241.425 3.074 20 0 BGADHN Fc1ccc(CN[C@H]2C=CCCC2)cc1 ZINC000151141156 192949717 /nfs/dbraw/zinc/94/97/17/192949717.db2.gz VXRXNBIRQIKVAI-ZDUSSCGKSA-N 0 3 205.276 3.024 20 0 BGADHN Fc1ccc(CN[C@@H]2C=CCCC2)cc1 ZINC000151141206 387801956 /nfs/dbraw/zinc/80/19/56/387801956.db2.gz VXRXNBIRQIKVAI-CYBMUJFWSA-N 0 3 205.276 3.024 20 0 BGADHN Fc1ccc(CN[C@H]2C=CCCC2)c(F)c1 ZINC000151143186 323010969 /nfs/dbraw/zinc/01/09/69/323010969.db2.gz TTZYGUUVUQTEFK-LBPRGKRZSA-N 0 3 223.266 3.163 20 0 BGADHN Fc1ccc(CN[C@@H]2C=CCCC2)c(F)c1 ZINC000151143241 323010916 /nfs/dbraw/zinc/01/09/16/323010916.db2.gz TTZYGUUVUQTEFK-GFCCVEGCSA-N 0 3 223.266 3.163 20 0 BGADHN Fc1ccccc1CN[C@H]1C=CCCC1 ZINC000151144814 387801411 /nfs/dbraw/zinc/80/14/11/387801411.db2.gz CCHHCLCOMJVIPY-LBPRGKRZSA-N 0 3 205.276 3.024 20 0 BGADHN Fc1ccccc1CN[C@@H]1C=CCCC1 ZINC000151144864 387801607 /nfs/dbraw/zinc/80/16/07/387801607.db2.gz CCHHCLCOMJVIPY-GFCCVEGCSA-N 0 3 205.276 3.024 20 0 BGADHN CSCCN(C)Cc1cc(C)ccc1C ZINC000151158093 384548225 /nfs/dbraw/zinc/54/82/25/384548225.db2.gz CULLEKRWBWVIBZ-UHFFFAOYSA-N 0 3 223.385 3.098 20 0 BGADHN CCOc1cccc(CN[C@H]2C=CCCC2)c1 ZINC000151172254 387806637 /nfs/dbraw/zinc/80/66/37/387806637.db2.gz YTUCNZDVDNBONZ-AWEZNQCLSA-N 0 3 231.339 3.284 20 0 BGADHN CCOc1cccc(CN[C@@H]2C=CCCC2)c1 ZINC000151172299 387805862 /nfs/dbraw/zinc/80/58/62/387805862.db2.gz YTUCNZDVDNBONZ-CQSZACIVSA-N 0 3 231.339 3.284 20 0 BGADHN Fc1ccc(CN[C@H]2C=CCCC2)cc1F ZINC000151175748 387806366 /nfs/dbraw/zinc/80/63/66/387806366.db2.gz HSYQTYDACJQIEU-NSHDSACASA-N 0 3 223.266 3.163 20 0 BGADHN Fc1ccc(CN[C@@H]2C=CCCC2)cc1F ZINC000151175804 191114378 /nfs/dbraw/zinc/11/43/78/191114378.db2.gz HSYQTYDACJQIEU-LLVKDONJSA-N 0 3 223.266 3.163 20 0 BGADHN CCOc1ncccc1CN[C@H](C)[C@H](C)CC ZINC000151177170 323040495 /nfs/dbraw/zinc/04/04/95/323040495.db2.gz LQIMJKXYKLFJHU-VXGBXAGGSA-N 0 3 236.359 3.005 20 0 BGADHN CCOc1ncccc1CN[C@H](C)[C@@H](C)CC ZINC000151177217 323012461 /nfs/dbraw/zinc/01/24/61/323012461.db2.gz LQIMJKXYKLFJHU-NWDGAFQWSA-N 0 3 236.359 3.005 20 0 BGADHN CCOc1ncccc1CN[C@@H](C)[C@H](C)CC ZINC000151177276 323012527 /nfs/dbraw/zinc/01/25/27/323012527.db2.gz LQIMJKXYKLFJHU-NEPJUHHUSA-N 0 3 236.359 3.005 20 0 BGADHN CCOc1ncccc1CN[C@@H](C)[C@@H](C)CC ZINC000151177334 323012476 /nfs/dbraw/zinc/01/24/76/323012476.db2.gz LQIMJKXYKLFJHU-RYUDHWBXSA-N 0 3 236.359 3.005 20 0 BGADHN Fc1cccc(CN[C@H]2C=CCCC2)c1 ZINC000151183488 387806440 /nfs/dbraw/zinc/80/64/40/387806440.db2.gz DRTVOGPIFNBLMU-ZDUSSCGKSA-N 0 3 205.276 3.024 20 0 BGADHN Fc1cccc(CN[C@@H]2C=CCCC2)c1 ZINC000151183560 387806036 /nfs/dbraw/zinc/80/60/36/387806036.db2.gz DRTVOGPIFNBLMU-CYBMUJFWSA-N 0 3 205.276 3.024 20 0 BGADHN c1ccc2c(c1)C=C(CN[C@H]1C=CCCC1)CO2 ZINC000151184557 323012803 /nfs/dbraw/zinc/01/28/03/323012803.db2.gz TZPSNIJJPPBZKR-HNNXBMFYSA-N 0 3 241.334 3.161 20 0 BGADHN c1ccc2c(c1)C=C(CN[C@@H]1C=CCCC1)CO2 ZINC000151184613 323012799 /nfs/dbraw/zinc/01/27/99/323012799.db2.gz TZPSNIJJPPBZKR-OAHLLOKOSA-N 0 3 241.334 3.161 20 0 BGADHN CCC[C@]1(C)CCCN(Cc2cnn(C)c2C)C1 ZINC000151195931 384549994 /nfs/dbraw/zinc/54/99/94/384549994.db2.gz RHYWTNMEBUCLAJ-OAHLLOKOSA-N 0 3 249.402 3.131 20 0 BGADHN CCC[C@@]1(C)CCCN(Cc2cnn(C)c2C)C1 ZINC000151195988 384549603 /nfs/dbraw/zinc/54/96/03/384549603.db2.gz RHYWTNMEBUCLAJ-HNNXBMFYSA-N 0 3 249.402 3.131 20 0 BGADHN CCOc1ncccc1CN[C@@H](C)C(C)(C)C ZINC000151212096 384548290 /nfs/dbraw/zinc/54/82/90/384548290.db2.gz OELWITXOWJXYBP-NSHDSACASA-N 0 3 236.359 3.005 20 0 BGADHN CCOc1ncccc1CN[C@H](C)C(C)(C)C ZINC000151212154 384547410 /nfs/dbraw/zinc/54/74/10/384547410.db2.gz OELWITXOWJXYBP-LLVKDONJSA-N 0 3 236.359 3.005 20 0 BGADHN CCOc1ncccc1CN[C@@H](C)C1CCCC1 ZINC000151215481 384547643 /nfs/dbraw/zinc/54/76/43/384547643.db2.gz KNKTXQOPYMWMSS-LBPRGKRZSA-N 0 3 248.370 3.149 20 0 BGADHN CCOc1ncccc1CN[C@H](C)C1CCCC1 ZINC000151215539 134461143 /nfs/dbraw/zinc/46/11/43/134461143.db2.gz KNKTXQOPYMWMSS-GFCCVEGCSA-N 0 3 248.370 3.149 20 0 BGADHN C[C@@H]1CCN(CCCF)[C@H](c2ccco2)C1 ZINC000151220769 176168660 /nfs/dbraw/zinc/16/86/60/176168660.db2.gz OORJDGKHZBOXJK-NEPJUHHUSA-N 0 3 225.307 3.412 20 0 BGADHN C[C@H]1CCN(CCCF)[C@H](c2ccco2)C1 ZINC000151220855 177159690 /nfs/dbraw/zinc/15/96/90/177159690.db2.gz OORJDGKHZBOXJK-RYUDHWBXSA-N 0 3 225.307 3.412 20 0 BGADHN C[C@H](NC1CCCC1)c1cccnc1Cl ZINC000151240423 387348323 /nfs/dbraw/zinc/34/83/23/387348323.db2.gz NNHFVQOIFDQSQW-VIFPVBQESA-N 0 3 224.735 3.328 20 0 BGADHN C[C@@H](NC1CCCC1)c1cccnc1Cl ZINC000151240475 175860386 /nfs/dbraw/zinc/86/03/86/175860386.db2.gz NNHFVQOIFDQSQW-SECBINFHSA-N 0 3 224.735 3.328 20 0 BGADHN CCc1ccc([C@@H](C)NC2CCCC2)o1 ZINC000151272144 206063516 /nfs/dbraw/zinc/06/35/16/206063516.db2.gz MIDAVSKTCXSJJD-SNVBAGLBSA-N 0 3 207.317 3.435 20 0 BGADHN CCc1ccc([C@H](C)NC2CCCC2)o1 ZINC000151272205 206063990 /nfs/dbraw/zinc/06/39/90/206063990.db2.gz MIDAVSKTCXSJJD-JTQLQIEISA-N 0 3 207.317 3.435 20 0 BGADHN CN(CCCF)Cc1cc2ccccc2o1 ZINC000151298856 385099936 /nfs/dbraw/zinc/09/99/36/385099936.db2.gz OPGUOUIFYOTOJH-UHFFFAOYSA-N 0 3 221.275 3.224 20 0 BGADHN CCc1ccc(CN[C@H]2C=CCCC2)o1 ZINC000151339186 387823824 /nfs/dbraw/zinc/82/38/24/387823824.db2.gz RCLWQRMKZHXRDR-NSHDSACASA-N 0 3 205.301 3.040 20 0 BGADHN CCc1ccc(CN[C@@H]2C=CCCC2)o1 ZINC000151339266 387823116 /nfs/dbraw/zinc/82/31/16/387823116.db2.gz RCLWQRMKZHXRDR-LLVKDONJSA-N 0 3 205.301 3.040 20 0 BGADHN CN(Cc1nc2cc(F)ccc2o1)CC1CCC1 ZINC000151361444 384569215 /nfs/dbraw/zinc/56/92/15/384569215.db2.gz FDBAMWYTQKEYKK-UHFFFAOYSA-N 0 3 248.301 3.199 20 0 BGADHN C1=CCC(NCc2cnc(C3CCC3)s2)C1 ZINC000151365472 541441781 /nfs/dbraw/zinc/44/17/81/541441781.db2.gz AKFGHVNRMXBMRK-UHFFFAOYSA-N 0 3 234.368 3.219 20 0 BGADHN C[C@@H]1CN(CCCF)[C@@H]1c1ccccc1 ZINC000151396068 176289932 /nfs/dbraw/zinc/28/99/32/176289932.db2.gz HASNJNNOMVTARV-YPMHNXCESA-N 0 3 207.292 3.039 20 0 BGADHN C[C@H]1CN(CCCF)[C@@H]1c1ccccc1 ZINC000151396147 177249854 /nfs/dbraw/zinc/24/98/54/177249854.db2.gz HASNJNNOMVTARV-AAEUAGOBSA-N 0 3 207.292 3.039 20 0 BGADHN CCN(Cc1nc2cc(F)ccc2o1)CC1CC1 ZINC000151412818 384573205 /nfs/dbraw/zinc/57/32/05/384573205.db2.gz JDBGIHIVXUAPCF-UHFFFAOYSA-N 0 3 248.301 3.199 20 0 BGADHN CCc1ccc([C@@H](C)NCCc2ccccn2)o1 ZINC000151450777 385111110 /nfs/dbraw/zinc/11/11/10/385111110.db2.gz WNNOJRYILYNCAM-GFCCVEGCSA-N 0 3 244.338 3.130 20 0 BGADHN CCc1ccc([C@H](C)NCCc2ccccn2)o1 ZINC000151450849 385111162 /nfs/dbraw/zinc/11/11/62/385111162.db2.gz WNNOJRYILYNCAM-LBPRGKRZSA-N 0 3 244.338 3.130 20 0 BGADHN CCCC1(CNCc2nc(C)cs2)CC1 ZINC000151540583 387851116 /nfs/dbraw/zinc/85/11/16/387851116.db2.gz TYICYAMRLSLUQZ-UHFFFAOYSA-N 0 3 224.373 3.121 20 0 BGADHN CCCC1(CNCc2csc(C)n2)CC1 ZINC000151565494 387855877 /nfs/dbraw/zinc/85/58/77/387855877.db2.gz RYVMOJWTXUJFDO-UHFFFAOYSA-N 0 3 224.373 3.121 20 0 BGADHN CCCC1(CNCc2csc(CC)n2)CC1 ZINC000151567571 387854968 /nfs/dbraw/zinc/85/49/68/387854968.db2.gz FDYHDJVXZJXRJM-UHFFFAOYSA-N 0 3 238.400 3.375 20 0 BGADHN CCCC1(CNCc2ccc(C)o2)CC1 ZINC000151579583 387856870 /nfs/dbraw/zinc/85/68/70/387856870.db2.gz GCROGDYAHRBCRN-UHFFFAOYSA-N 0 3 207.317 3.258 20 0 BGADHN CCCC1(CNCc2occc2C)CC1 ZINC000151589045 387861624 /nfs/dbraw/zinc/86/16/24/387861624.db2.gz RRANTZVUSXFNIA-UHFFFAOYSA-N 0 3 207.317 3.258 20 0 BGADHN CCCC1(CNCc2cn3ccccc3n2)CC1 ZINC000151592884 168599191 /nfs/dbraw/zinc/59/91/91/168599191.db2.gz MTQBILDFYYTTGW-UHFFFAOYSA-N 0 3 243.354 3.004 20 0 BGADHN C[C@H](NCCCCC1CCCC1)c1cnccn1 ZINC000151601060 385120990 /nfs/dbraw/zinc/12/09/90/385120990.db2.gz HLGMEFWZPGVIDT-ZDUSSCGKSA-N 0 3 247.386 3.488 20 0 BGADHN C[C@@H](NCCCCC1CCCC1)c1cnccn1 ZINC000151601154 385121087 /nfs/dbraw/zinc/12/10/87/385121087.db2.gz HLGMEFWZPGVIDT-CYBMUJFWSA-N 0 3 247.386 3.488 20 0 BGADHN CC[C@H](NCCCOC)c1cc(F)ccc1F ZINC000151652908 385124744 /nfs/dbraw/zinc/12/47/44/385124744.db2.gz OGWPGSMEALKTSQ-ZDUSSCGKSA-N 0 3 243.297 3.042 20 0 BGADHN CC[C@@H](NCCCOC)c1cc(F)ccc1F ZINC000151652962 385123365 /nfs/dbraw/zinc/12/33/65/385123365.db2.gz OGWPGSMEALKTSQ-CYBMUJFWSA-N 0 3 243.297 3.042 20 0 BGADHN CCN(Cc1ccccc1)Cc1ccc(C)cn1 ZINC000151690652 323023540 /nfs/dbraw/zinc/02/35/40/323023540.db2.gz INEJARNGIZAMBR-UHFFFAOYSA-N 0 3 240.350 3.412 20 0 BGADHN CC(C)=CCN[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000151690822 385125386 /nfs/dbraw/zinc/12/53/86/385125386.db2.gz NTASDJRKYHTNTD-LBPRGKRZSA-N 0 3 247.338 3.075 20 0 BGADHN CC(C)=CCN[C@H](C)c1ccc2c(c1)OCCO2 ZINC000151690881 385124902 /nfs/dbraw/zinc/12/49/02/385124902.db2.gz NTASDJRKYHTNTD-GFCCVEGCSA-N 0 3 247.338 3.075 20 0 BGADHN FCCCN(CCC(F)(F)F)CC1CC1 ZINC000151718873 384731922 /nfs/dbraw/zinc/73/19/22/384731922.db2.gz JBBBJNLOHSNZRW-UHFFFAOYSA-N 0 3 227.245 3.010 20 0 BGADHN CC(C)CCN[C@@H](C)c1cccnc1Cl ZINC000151770069 387877865 /nfs/dbraw/zinc/87/78/65/387877865.db2.gz MLENHHLJRNBMPG-JTQLQIEISA-N 0 3 226.751 3.432 20 0 BGADHN CC(C)CCN[C@H](C)c1cccnc1Cl ZINC000151770121 387877707 /nfs/dbraw/zinc/87/77/07/387877707.db2.gz MLENHHLJRNBMPG-SNVBAGLBSA-N 0 3 226.751 3.432 20 0 BGADHN Fc1ccc2oc(CNC3CC=CC3)cc2c1 ZINC000151942520 538064530 /nfs/dbraw/zinc/06/45/30/538064530.db2.gz PWGKWTXXQCPNGJ-UHFFFAOYSA-N 0 3 231.270 3.380 20 0 BGADHN CC[C@H](NC(C)C)c1cc(F)ccc1F ZINC000151982782 487681892 /nfs/dbraw/zinc/68/18/92/487681892.db2.gz LOPSOIVBYQHAKW-LBPRGKRZSA-N 0 3 213.271 3.414 20 0 BGADHN CC[C@@H](NC(C)C)c1cc(F)ccc1F ZINC000151982876 398326224 /nfs/dbraw/zinc/32/62/24/398326224.db2.gz LOPSOIVBYQHAKW-GFCCVEGCSA-N 0 3 213.271 3.414 20 0 BGADHN C[C@@H]1CCN(Cc2nc3cc(F)ccc3o2)[C@@H]1C ZINC000151997179 398326378 /nfs/dbraw/zinc/32/63/78/398326378.db2.gz HMWODEREFWAFOX-NXEZZACHSA-N 0 3 248.301 3.197 20 0 BGADHN C[C@@H]1[C@@H](C)CCN1Cc1nc2cc(F)ccc2o1 ZINC000151997238 398325991 /nfs/dbraw/zinc/32/59/91/398325991.db2.gz HMWODEREFWAFOX-VHSXEESVSA-N 0 3 248.301 3.197 20 0 BGADHN C[C@@H](CSC(C)(C)C)NCc1ccco1 ZINC000152036823 487682621 /nfs/dbraw/zinc/68/26/21/487682621.db2.gz YENVYWXFJNLRGC-JTQLQIEISA-N 0 3 227.373 3.289 20 0 BGADHN C[C@H](CSC(C)(C)C)NCc1ccco1 ZINC000152036897 487682835 /nfs/dbraw/zinc/68/28/35/487682835.db2.gz YENVYWXFJNLRGC-SNVBAGLBSA-N 0 3 227.373 3.289 20 0 BGADHN COCCN[C@H](C)c1cc2cc(C)c(C)cc2o1 ZINC000152104140 384955958 /nfs/dbraw/zinc/95/59/58/384955958.db2.gz WXLMSGMSDGGELQ-GFCCVEGCSA-N 0 3 247.338 3.347 20 0 BGADHN COCCN[C@@H](C)c1cc2cc(C)c(C)cc2o1 ZINC000152104223 384954572 /nfs/dbraw/zinc/95/45/72/384954572.db2.gz WXLMSGMSDGGELQ-LBPRGKRZSA-N 0 3 247.338 3.347 20 0 BGADHN CCSc1ccccc1[C@@H](C)NCCOC ZINC000152112233 201189772 /nfs/dbraw/zinc/18/97/72/201189772.db2.gz CLQQYYPYYOEWGK-LLVKDONJSA-N 0 3 239.384 3.096 20 0 BGADHN CCSc1ccccc1[C@H](C)NCCOC ZINC000152112319 201190598 /nfs/dbraw/zinc/19/05/98/201190598.db2.gz CLQQYYPYYOEWGK-NSHDSACASA-N 0 3 239.384 3.096 20 0 BGADHN CC[C@H](NCCOC)c1ccc(Cl)s1 ZINC000152139879 384964602 /nfs/dbraw/zinc/96/46/02/384964602.db2.gz FPMHTQMQQNJMJY-QMMMGPOBSA-N 0 3 233.764 3.089 20 0 BGADHN CC[C@@H](NCCOC)c1ccc(Cl)s1 ZINC000152139948 387880895 /nfs/dbraw/zinc/88/08/95/387880895.db2.gz FPMHTQMQQNJMJY-MRVPVSSYSA-N 0 3 233.764 3.089 20 0 BGADHN COCCN[C@@H](C)c1cc(Cl)cc(Cl)c1 ZINC000152140436 384970408 /nfs/dbraw/zinc/97/04/08/384970408.db2.gz RZTBXQPMKOHMQV-QMMMGPOBSA-N 0 3 248.153 3.290 20 0 BGADHN COCCN[C@H](C)c1cc(Cl)cc(Cl)c1 ZINC000152140524 387237599 /nfs/dbraw/zinc/23/75/99/387237599.db2.gz RZTBXQPMKOHMQV-MRVPVSSYSA-N 0 3 248.153 3.290 20 0 BGADHN COCCN[C@@H](C)c1ccc(-c2ccccc2)o1 ZINC000152141355 384966927 /nfs/dbraw/zinc/96/69/27/384966927.db2.gz USNKJAUSDALZDA-LBPRGKRZSA-N 0 3 245.322 3.244 20 0 BGADHN COCCN[C@H](C)c1ccc(-c2ccccc2)o1 ZINC000152141422 384966374 /nfs/dbraw/zinc/96/63/74/384966374.db2.gz USNKJAUSDALZDA-GFCCVEGCSA-N 0 3 245.322 3.244 20 0 BGADHN Cc1noc(C)c1C[C@@H](C)N[C@@H](C)c1ccco1 ZINC000152151874 180475981 /nfs/dbraw/zinc/47/59/81/180475981.db2.gz UJZZZYMYXGQGTF-KOLCDFICSA-N 0 3 248.326 3.166 20 0 BGADHN Cc1noc(C)c1C[C@H](C)N[C@@H](C)c1ccco1 ZINC000152151960 385159625 /nfs/dbraw/zinc/15/96/25/385159625.db2.gz UJZZZYMYXGQGTF-ONGXEEELSA-N 0 3 248.326 3.166 20 0 BGADHN Cc1noc(C)c1C[C@@H](C)N[C@H](C)c1ccco1 ZINC000152152042 385159369 /nfs/dbraw/zinc/15/93/69/385159369.db2.gz UJZZZYMYXGQGTF-MWLCHTKSSA-N 0 3 248.326 3.166 20 0 BGADHN Cc1noc(C)c1C[C@H](C)N[C@H](C)c1ccco1 ZINC000152152122 385158745 /nfs/dbraw/zinc/15/87/45/385158745.db2.gz UJZZZYMYXGQGTF-GXSJLCMTSA-N 0 3 248.326 3.166 20 0 BGADHN CC[C@@H](C)N[C@@H](C)c1cccnc1Cl ZINC000152166564 387881812 /nfs/dbraw/zinc/88/18/12/387881812.db2.gz NYSPKKWSLGLXRK-BDAKNGLRSA-N 0 3 212.724 3.184 20 0 BGADHN CC[C@H](C)N[C@@H](C)c1cccnc1Cl ZINC000152166646 171345868 /nfs/dbraw/zinc/34/58/68/171345868.db2.gz NYSPKKWSLGLXRK-IUCAKERBSA-N 0 3 212.724 3.184 20 0 BGADHN CC[C@@H](C)N[C@H](C)c1cccnc1Cl ZINC000152166746 387881630 /nfs/dbraw/zinc/88/16/30/387881630.db2.gz NYSPKKWSLGLXRK-RKDXNWHRSA-N 0 3 212.724 3.184 20 0 BGADHN CC[C@H](C)N[C@H](C)c1cccnc1Cl ZINC000152166832 171347747 /nfs/dbraw/zinc/34/77/47/171347747.db2.gz NYSPKKWSLGLXRK-DTWKUNHWSA-N 0 3 212.724 3.184 20 0 BGADHN CC[C@@H]1CCN(Cc2nc3cc(F)ccc3o2)C1 ZINC000152207469 385008925 /nfs/dbraw/zinc/00/89/25/385008925.db2.gz SAHGTNLOOJKSOM-SNVBAGLBSA-N 0 3 248.301 3.199 20 0 BGADHN CC[C@H]1CCN(Cc2nc3cc(F)ccc3o2)C1 ZINC000152207559 385008263 /nfs/dbraw/zinc/00/82/63/385008263.db2.gz SAHGTNLOOJKSOM-JTQLQIEISA-N 0 3 248.301 3.199 20 0 BGADHN CCC1(CNCc2c(C)noc2C)CCCC1 ZINC000152243435 201191747 /nfs/dbraw/zinc/19/17/47/201191747.db2.gz NZSHAGQYPFTNCI-UHFFFAOYSA-N 0 3 236.359 3.351 20 0 BGADHN CCC1(CNCc2ccccn2)CCCC1 ZINC000152246418 385169395 /nfs/dbraw/zinc/16/93/95/385169395.db2.gz JEQWAXDKZRLFOF-UHFFFAOYSA-N 0 3 218.344 3.142 20 0 BGADHN CCC1(CNCc2cscn2)CCCC1 ZINC000152248103 387880742 /nfs/dbraw/zinc/88/07/42/387880742.db2.gz FEYJBRQXDMKGKN-UHFFFAOYSA-N 0 3 224.373 3.203 20 0 BGADHN CC(C)(C)CCN1CCCC[C@@H]1c1ncc[nH]1 ZINC000152254383 385035838 /nfs/dbraw/zinc/03/58/38/385035838.db2.gz JNZNKRHLGDSNPM-GFCCVEGCSA-N 0 3 235.375 3.373 20 0 BGADHN CC(C)(C)CCN1CCCC[C@H]1c1ncc[nH]1 ZINC000152254482 385036177 /nfs/dbraw/zinc/03/61/77/385036177.db2.gz JNZNKRHLGDSNPM-LBPRGKRZSA-N 0 3 235.375 3.373 20 0 BGADHN Cc1ccc(OC(F)F)c(CNC2CCC2)c1 ZINC000152268399 385038673 /nfs/dbraw/zinc/03/86/73/385038673.db2.gz YCOGRYBTUKNSTQ-UHFFFAOYSA-N 0 3 241.281 3.239 20 0 BGADHN CC[C@@H](COC)NCc1cc2cc(C)ccc2o1 ZINC000152292716 353158431 /nfs/dbraw/zinc/15/84/31/353158431.db2.gz JRLXAHRLMYIHSY-ZDUSSCGKSA-N 0 3 247.338 3.256 20 0 BGADHN CC[C@H](COC)NCc1cc2cc(C)ccc2o1 ZINC000152292812 323173584 /nfs/dbraw/zinc/17/35/84/323173584.db2.gz JRLXAHRLMYIHSY-CYBMUJFWSA-N 0 3 247.338 3.256 20 0 BGADHN C[C@@H]1CN(CCCCC(F)(F)F)CCS1 ZINC000152452167 323326836 /nfs/dbraw/zinc/32/68/36/323326836.db2.gz NCGQCNPRESVRDL-SECBINFHSA-N 0 3 241.322 3.156 20 0 BGADHN CCC(CC)(CC)CNCc1ccc(CO)o1 ZINC000152487694 168316443 /nfs/dbraw/zinc/31/64/43/168316443.db2.gz NBEXVBLFQYJIBM-UHFFFAOYSA-N 0 3 239.359 3.078 20 0 BGADHN CSCCN(C)CCOC1CCCCCC1 ZINC000152513119 359342015 /nfs/dbraw/zinc/34/20/15/359342015.db2.gz PUCBYMQSLQVARV-UHFFFAOYSA-N 0 3 245.432 3.021 20 0 BGADHN CSCCN(C)Cc1cc(C)cc(C)c1 ZINC000152518311 344590548 /nfs/dbraw/zinc/59/05/48/344590548.db2.gz IJJYPMOPYGPJGN-UHFFFAOYSA-N 0 3 223.385 3.098 20 0 BGADHN CCc1nc2c(s1)[C@H](N(C)CC)CCC2 ZINC000152532716 172009233 /nfs/dbraw/zinc/00/92/33/172009233.db2.gz URJUDHQDOYOYBM-SNVBAGLBSA-N 0 3 224.373 3.035 20 0 BGADHN CCc1nc2c(s1)[C@@H](N(C)CC)CCC2 ZINC000152532793 172008446 /nfs/dbraw/zinc/00/84/46/172008446.db2.gz URJUDHQDOYOYBM-JTQLQIEISA-N 0 3 224.373 3.035 20 0 BGADHN C[C@@H](CC(F)(F)F)N[C@@H](C)c1ccncc1 ZINC000152536471 201202454 /nfs/dbraw/zinc/20/24/54/201202454.db2.gz JBUVYQHWYYQSPY-IUCAKERBSA-N 0 3 232.249 3.073 20 0 BGADHN C[C@H](CC(F)(F)F)N[C@@H](C)c1ccncc1 ZINC000152536565 201201478 /nfs/dbraw/zinc/20/14/78/201201478.db2.gz JBUVYQHWYYQSPY-BDAKNGLRSA-N 0 3 232.249 3.073 20 0 BGADHN C[C@@H](N[C@@H](C)CC(F)(F)F)c1ccncc1 ZINC000152536642 201202396 /nfs/dbraw/zinc/20/23/96/201202396.db2.gz JBUVYQHWYYQSPY-DTWKUNHWSA-N 0 3 232.249 3.073 20 0 BGADHN C[C@H](CC(F)(F)F)N[C@H](C)c1ccncc1 ZINC000152536718 191114580 /nfs/dbraw/zinc/11/45/80/191114580.db2.gz JBUVYQHWYYQSPY-RKDXNWHRSA-N 0 3 232.249 3.073 20 0 BGADHN c1coc(CNCCc2cc3ccccc3o2)c1 ZINC000152570010 359664320 /nfs/dbraw/zinc/66/43/20/359664320.db2.gz HJCVLYRFYWNXRL-UHFFFAOYSA-N 0 3 241.290 3.358 20 0 BGADHN Cc1ccc(F)c(CNC[C@@H]2CCCS2)c1 ZINC000152594781 201204098 /nfs/dbraw/zinc/20/40/98/201204098.db2.gz GMPPSRYXQHUEFD-LBPRGKRZSA-N 0 3 239.359 3.119 20 0 BGADHN Cc1ccc(F)c(CNC[C@H]2CCCS2)c1 ZINC000152594861 201204232 /nfs/dbraw/zinc/20/42/32/201204232.db2.gz GMPPSRYXQHUEFD-GFCCVEGCSA-N 0 3 239.359 3.119 20 0 BGADHN CCCN(C)[C@@H]1CCCc2nc(CC)sc21 ZINC000152612537 344647074 /nfs/dbraw/zinc/64/70/74/344647074.db2.gz QXHSYUSRAUAXAQ-LLVKDONJSA-N 0 3 238.400 3.425 20 0 BGADHN CCCN(C)[C@H]1CCCc2nc(CC)sc21 ZINC000152612646 344646890 /nfs/dbraw/zinc/64/68/90/344646890.db2.gz QXHSYUSRAUAXAQ-NSHDSACASA-N 0 3 238.400 3.425 20 0 BGADHN CC[C@@H](C)N[C@@H](COCC(C)C)c1ccco1 ZINC000152612921 385197990 /nfs/dbraw/zinc/19/79/90/385197990.db2.gz KRMPSBATQAPKIH-OLZOCXBDSA-N 0 3 239.359 3.381 20 0 BGADHN CC[C@H](C)N[C@@H](COCC(C)C)c1ccco1 ZINC000152613018 171346203 /nfs/dbraw/zinc/34/62/03/171346203.db2.gz KRMPSBATQAPKIH-STQMWFEESA-N 0 3 239.359 3.381 20 0 BGADHN CC[C@@H](C)N[C@H](COCC(C)C)c1ccco1 ZINC000152613111 385197089 /nfs/dbraw/zinc/19/70/89/385197089.db2.gz KRMPSBATQAPKIH-CHWSQXEVSA-N 0 3 239.359 3.381 20 0 BGADHN CC[C@H](C)N[C@H](COCC(C)C)c1ccco1 ZINC000152613213 171348952 /nfs/dbraw/zinc/34/89/52/171348952.db2.gz KRMPSBATQAPKIH-QWHCGFSZSA-N 0 3 239.359 3.381 20 0 BGADHN Fc1ccc(CN2C[C@@H]3CCC[C@@H]3C2)cc1F ZINC000152643527 325364232 /nfs/dbraw/zinc/36/42/32/325364232.db2.gz NLEHGEZEQHHCQH-TXEJJXNPSA-N 0 3 237.293 3.197 20 0 BGADHN Fc1ccc(CN2C[C@H]3CCC[C@@H]3C2)cc1F ZINC000152643630 325364480 /nfs/dbraw/zinc/36/44/80/325364480.db2.gz NLEHGEZEQHHCQH-VXGBXAGGSA-N 0 3 237.293 3.197 20 0 BGADHN Fc1ccc(CN2C[C@@H]3CCC[C@H]3C2)cc1F ZINC000152643729 325364665 /nfs/dbraw/zinc/36/46/65/325364665.db2.gz NLEHGEZEQHHCQH-RYUDHWBXSA-N 0 3 237.293 3.197 20 0 BGADHN CC1=CCC[C@@H](C)[C@H]1CNCc1ncccc1F ZINC000152651997 388547353 /nfs/dbraw/zinc/54/73/53/388547353.db2.gz OOJCWIHRJWTWDU-OLZOCXBDSA-N 0 3 248.345 3.303 20 0 BGADHN CC1=CCC[C@H](C)[C@H]1CNCc1ncccc1F ZINC000152652108 325468126 /nfs/dbraw/zinc/46/81/26/325468126.db2.gz OOJCWIHRJWTWDU-STQMWFEESA-N 0 3 248.345 3.303 20 0 BGADHN CC1=CCC[C@@H](C)[C@@H]1CNCc1ncccc1F ZINC000152652210 325467830 /nfs/dbraw/zinc/46/78/30/325467830.db2.gz OOJCWIHRJWTWDU-CHWSQXEVSA-N 0 3 248.345 3.303 20 0 BGADHN CC1=CCC[C@H](C)[C@@H]1CNCc1ncccc1F ZINC000152652301 325468123 /nfs/dbraw/zinc/46/81/23/325468123.db2.gz OOJCWIHRJWTWDU-QWHCGFSZSA-N 0 3 248.345 3.303 20 0 BGADHN Fc1cccc(C2(CNCc3ccco3)CC2)c1 ZINC000152674947 385202042 /nfs/dbraw/zinc/20/20/42/385202042.db2.gz AOYOOQOQXAZIHB-UHFFFAOYSA-N 0 3 245.297 3.240 20 0 BGADHN CC[C@@H]1CCN(c2ccnc3ccccc32)C1 ZINC000152798131 388884150 /nfs/dbraw/zinc/88/41/50/388884150.db2.gz FQMLZIAZEDGMSW-GFCCVEGCSA-N 0 3 226.323 3.471 20 0 BGADHN CC[C@H]1CCN(c2ccnc3ccccc32)C1 ZINC000152798274 325801974 /nfs/dbraw/zinc/80/19/74/325801974.db2.gz FQMLZIAZEDGMSW-LBPRGKRZSA-N 0 3 226.323 3.471 20 0 BGADHN CCSCC[C@@H](C)N[C@@H](C)c1cncs1 ZINC000152811148 387886980 /nfs/dbraw/zinc/88/69/80/387886980.db2.gz PJHHWINKAQBGAT-ZJUUUORDSA-N 0 3 244.429 3.325 20 0 BGADHN CCSCC[C@H](C)N[C@@H](C)c1cncs1 ZINC000152811272 387887466 /nfs/dbraw/zinc/88/74/66/387887466.db2.gz PJHHWINKAQBGAT-UWVGGRQHSA-N 0 3 244.429 3.325 20 0 BGADHN CCSCC[C@@H](C)N[C@H](C)c1cncs1 ZINC000152811380 387887526 /nfs/dbraw/zinc/88/75/26/387887526.db2.gz PJHHWINKAQBGAT-NXEZZACHSA-N 0 3 244.429 3.325 20 0 BGADHN CCSCC[C@H](C)N[C@H](C)c1cncs1 ZINC000152811483 387887291 /nfs/dbraw/zinc/88/72/91/387887291.db2.gz PJHHWINKAQBGAT-VHSXEESVSA-N 0 3 244.429 3.325 20 0 BGADHN CC(C)c1ccc(CN[C@@H]2C[C@H]3CC[C@@H]2O3)cc1 ZINC000152817027 387887659 /nfs/dbraw/zinc/88/76/59/387887659.db2.gz CUWIUYYUASQHPA-OAGGEKHMSA-N 0 3 245.366 3.220 20 0 BGADHN CC(C)c1ccc(CN[C@H]2C[C@H]3CC[C@@H]2O3)cc1 ZINC000152817107 387887064 /nfs/dbraw/zinc/88/70/64/387887064.db2.gz CUWIUYYUASQHPA-PMPSAXMXSA-N 0 3 245.366 3.220 20 0 BGADHN CC(C)CC1(CNCc2ccco2)CC1 ZINC000152828256 201208957 /nfs/dbraw/zinc/20/89/57/201208957.db2.gz ZBXXXIGAENQTLX-UHFFFAOYSA-N 0 3 207.317 3.196 20 0 BGADHN CCSCC[C@@H](C)N[C@@H](C)c1ccco1 ZINC000152837449 384057822 /nfs/dbraw/zinc/05/78/22/384057822.db2.gz KWWMVIJVNUGCJX-MNOVXSKESA-N 0 3 227.373 3.462 20 0 BGADHN CCSCC[C@H](C)N[C@@H](C)c1ccco1 ZINC000152837546 387887502 /nfs/dbraw/zinc/88/75/02/387887502.db2.gz KWWMVIJVNUGCJX-QWRGUYRKSA-N 0 3 227.373 3.462 20 0 BGADHN CCSCC[C@@H](C)N[C@H](C)c1ccco1 ZINC000152837632 384058082 /nfs/dbraw/zinc/05/80/82/384058082.db2.gz KWWMVIJVNUGCJX-GHMZBOCLSA-N 0 3 227.373 3.462 20 0 BGADHN CCSCC[C@H](C)N[C@H](C)c1ccco1 ZINC000152837729 387887492 /nfs/dbraw/zinc/88/74/92/387887492.db2.gz KWWMVIJVNUGCJX-WDEREUQCSA-N 0 3 227.373 3.462 20 0 BGADHN COc1ccc(CN2C[C@@H]3CCC[C@@H]3C2)cc1F ZINC000152895870 385217668 /nfs/dbraw/zinc/21/76/68/385217668.db2.gz QTRQMMUFKLCINB-BETUJISGSA-N 0 3 249.329 3.066 20 0 BGADHN COc1ccc(CN2C[C@H]3CCC[C@@H]3C2)cc1F ZINC000152895948 187300243 /nfs/dbraw/zinc/30/02/43/187300243.db2.gz QTRQMMUFKLCINB-CHWSQXEVSA-N 0 3 249.329 3.066 20 0 BGADHN COc1ccc(CN2C[C@@H]3CCC[C@H]3C2)cc1F ZINC000152896038 175103093 /nfs/dbraw/zinc/10/30/93/175103093.db2.gz QTRQMMUFKLCINB-STQMWFEESA-N 0 3 249.329 3.066 20 0 BGADHN c1ccc2oc(CN3C[C@@H]4CCC[C@@H]4C3)nc2c1 ZINC000152901670 344712865 /nfs/dbraw/zinc/71/28/65/344712865.db2.gz MBWLRQCFXLYYQK-TXEJJXNPSA-N 0 3 242.322 3.060 20 0 BGADHN c1ccc2oc(CN3C[C@H]4CCC[C@@H]4C3)nc2c1 ZINC000152901782 134521048 /nfs/dbraw/zinc/52/10/48/134521048.db2.gz MBWLRQCFXLYYQK-VXGBXAGGSA-N 0 3 242.322 3.060 20 0 BGADHN c1ccc2oc(CN3C[C@@H]4CCC[C@H]4C3)nc2c1 ZINC000152901891 344712648 /nfs/dbraw/zinc/71/26/48/344712648.db2.gz MBWLRQCFXLYYQK-RYUDHWBXSA-N 0 3 242.322 3.060 20 0 BGADHN C[C@@H](CC(F)(F)F)NCc1ccccc1 ZINC000152970731 201216380 /nfs/dbraw/zinc/21/63/80/201216380.db2.gz OXKFGXXXERGCID-VIFPVBQESA-N 0 3 217.234 3.117 20 0 BGADHN C[C@H](CC(F)(F)F)NCc1ccccc1 ZINC000152970811 201214853 /nfs/dbraw/zinc/21/48/53/201214853.db2.gz OXKFGXXXERGCID-SECBINFHSA-N 0 3 217.234 3.117 20 0 BGADHN CCOCCN[C@@H]1C[C@H](C)c2c1cccc2C ZINC000152999437 325855057 /nfs/dbraw/zinc/85/50/57/325855057.db2.gz HCEVMTGRFFRWNW-GXTWGEPZSA-N 0 3 233.355 3.169 20 0 BGADHN CCOCCN[C@H]1C[C@H](C)c2c1cccc2C ZINC000152999520 325855026 /nfs/dbraw/zinc/85/50/26/325855026.db2.gz HCEVMTGRFFRWNW-JSGCOSHPSA-N 0 3 233.355 3.169 20 0 BGADHN CCOCCN[C@@H]1C[C@@H](C)c2c1cccc2C ZINC000152999611 325854928 /nfs/dbraw/zinc/85/49/28/325854928.db2.gz HCEVMTGRFFRWNW-TZMCWYRMSA-N 0 3 233.355 3.169 20 0 BGADHN CCOCCN[C@H]1C[C@@H](C)c2c1cccc2C ZINC000152999695 388912856 /nfs/dbraw/zinc/91/28/56/388912856.db2.gz HCEVMTGRFFRWNW-OCCSQVGLSA-N 0 3 233.355 3.169 20 0 BGADHN Fc1ccc(CN2C[C@@H]3CCC[C@@H]3C2)c(F)c1 ZINC000153019571 388918637 /nfs/dbraw/zinc/91/86/37/388918637.db2.gz ISKSTQGFVAVOLI-PHIMTYICSA-N 0 3 237.293 3.197 20 0 BGADHN Fc1ccc(CN2C[C@H]3CCC[C@@H]3C2)c(F)c1 ZINC000153019662 388919343 /nfs/dbraw/zinc/91/93/43/388919343.db2.gz ISKSTQGFVAVOLI-GHMZBOCLSA-N 0 3 237.293 3.197 20 0 BGADHN Fc1ccc(CN2C[C@@H]3CCC[C@H]3C2)c(F)c1 ZINC000153019767 388918959 /nfs/dbraw/zinc/91/89/59/388918959.db2.gz ISKSTQGFVAVOLI-QWRGUYRKSA-N 0 3 237.293 3.197 20 0 BGADHN C[C@H](NCCc1ccccc1)c1cncc(F)c1 ZINC000153044986 385232535 /nfs/dbraw/zinc/23/25/35/385232535.db2.gz XPPBAFSKRAUIHW-LBPRGKRZSA-N 0 3 244.313 3.114 20 0 BGADHN C[C@@H](NCCc1ccccc1)c1cncc(F)c1 ZINC000153045085 385233337 /nfs/dbraw/zinc/23/33/37/385233337.db2.gz XPPBAFSKRAUIHW-GFCCVEGCSA-N 0 3 244.313 3.114 20 0 BGADHN CC1(C)Cc2occc2[C@H](NC[C@@H]2CCCO2)C1 ZINC000153087295 188157628 /nfs/dbraw/zinc/15/76/28/188157628.db2.gz PILPSYLDSAXURY-WCQYABFASA-N 0 3 249.354 3.062 20 0 BGADHN CC1(C)Cc2occc2[C@@H](NC[C@@H]2CCCO2)C1 ZINC000153087389 397739157 /nfs/dbraw/zinc/73/91/57/397739157.db2.gz PILPSYLDSAXURY-AAEUAGOBSA-N 0 3 249.354 3.062 20 0 BGADHN CC1(C)Cc2occc2[C@H](NC[C@H]2CCCO2)C1 ZINC000153087487 188157689 /nfs/dbraw/zinc/15/76/89/188157689.db2.gz PILPSYLDSAXURY-DGCLKSJQSA-N 0 3 249.354 3.062 20 0 BGADHN CC1(C)Cc2occc2[C@@H](NC[C@H]2CCCO2)C1 ZINC000153087595 188157857 /nfs/dbraw/zinc/15/78/57/188157857.db2.gz PILPSYLDSAXURY-YPMHNXCESA-N 0 3 249.354 3.062 20 0 BGADHN c1csc(CN2CCc3ccccc3C2)c1 ZINC000153093387 384173658 /nfs/dbraw/zinc/17/36/58/384173658.db2.gz DFOMGYKTGHPDKH-UHFFFAOYSA-N 0 3 229.348 3.306 20 0 BGADHN CCN(Cc1cccn1C)Cc1ccccc1 ZINC000153163939 346288029 /nfs/dbraw/zinc/28/80/29/346288029.db2.gz RTGJRLWXILEGBF-UHFFFAOYSA-N 0 3 228.339 3.047 20 0 BGADHN Fc1cccc(CN2C[C@@H]3CCC[C@@H]3C2)c1F ZINC000153174092 344808956 /nfs/dbraw/zinc/80/89/56/344808956.db2.gz KPYCHTOYUZGNOD-PHIMTYICSA-N 0 3 237.293 3.197 20 0 BGADHN Fc1cccc(CN2C[C@H]3CCC[C@@H]3C2)c1F ZINC000153174210 344808862 /nfs/dbraw/zinc/80/88/62/344808862.db2.gz KPYCHTOYUZGNOD-GHMZBOCLSA-N 0 3 237.293 3.197 20 0 BGADHN Fc1cccc(CN2C[C@@H]3CCC[C@H]3C2)c1F ZINC000153174303 384203563 /nfs/dbraw/zinc/20/35/63/384203563.db2.gz KPYCHTOYUZGNOD-QWRGUYRKSA-N 0 3 237.293 3.197 20 0 BGADHN CC(C)N(Cc1cccn1C)Cc1ccccc1 ZINC000153218867 344838237 /nfs/dbraw/zinc/83/82/37/344838237.db2.gz OZYQRFUVASVUPM-UHFFFAOYSA-N 0 3 242.366 3.436 20 0 BGADHN CCCN(Cc1cccn1C)Cc1ccccc1 ZINC000153254734 388955916 /nfs/dbraw/zinc/95/59/16/388955916.db2.gz ZPHMKKRAIGLWQE-UHFFFAOYSA-N 0 3 242.366 3.437 20 0 BGADHN Cc1ccc(CN(C)Cc2cccn2C)c(C)c1 ZINC000153272036 388958755 /nfs/dbraw/zinc/95/87/55/388958755.db2.gz ZNQNTOJCLWVIHI-UHFFFAOYSA-N 0 3 242.366 3.274 20 0 BGADHN CC(C)C[C@@H](C)[NH2+]Cc1ccc([O-])c(F)c1 ZINC000153414474 188332789 /nfs/dbraw/zinc/33/27/89/188332789.db2.gz FNUULJPHLSFOKM-SNVBAGLBSA-N 0 3 225.307 3.056 20 0 BGADHN CC(C)C[C@H](C)[NH2+]Cc1ccc([O-])c(F)c1 ZINC000153414582 641783578 /nfs/dbraw/zinc/78/35/78/641783578.db2.gz FNUULJPHLSFOKM-JTQLQIEISA-N 0 3 225.307 3.056 20 0 BGADHN CC(C)CC[C@@H](C)[NH2+]Cc1ccc([O-])c(F)c1 ZINC000153445328 201236314 /nfs/dbraw/zinc/23/63/14/201236314.db2.gz MLQDSQJAZVWCBC-LLVKDONJSA-N 0 3 239.334 3.446 20 0 BGADHN CC(C)C[C@@H]1CCCN1Cc1cncs1 ZINC000153445412 388974489 /nfs/dbraw/zinc/97/44/89/388974489.db2.gz ORWVCACZACJKGS-NSHDSACASA-N 0 3 224.373 3.154 20 0 BGADHN CC(C)CC[C@H](C)[NH2+]Cc1ccc([O-])c(F)c1 ZINC000153445454 201237600 /nfs/dbraw/zinc/23/76/00/201237600.db2.gz MLQDSQJAZVWCBC-NSHDSACASA-N 0 3 239.334 3.446 20 0 BGADHN CC(C)C[C@H]1CCCN1Cc1cncs1 ZINC000153445525 388973664 /nfs/dbraw/zinc/97/36/64/388973664.db2.gz ORWVCACZACJKGS-LLVKDONJSA-N 0 3 224.373 3.154 20 0 BGADHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H]2CC(C)C)n1 ZINC000153446404 388974155 /nfs/dbraw/zinc/97/41/55/388974155.db2.gz OZRMVJNGEYFPEW-CYBMUJFWSA-N 0 3 248.370 3.106 20 0 BGADHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@H]2CC(C)C)n1 ZINC000153446404 388974153 /nfs/dbraw/zinc/97/41/53/388974153.db2.gz OZRMVJNGEYFPEW-CYBMUJFWSA-N 0 3 248.370 3.106 20 0 BGADHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@H]2CC(C)C)n1 ZINC000153446521 388974356 /nfs/dbraw/zinc/97/43/56/388974356.db2.gz OZRMVJNGEYFPEW-ZDUSSCGKSA-N 0 3 248.370 3.106 20 0 BGADHN Cc1ccc([O-])c(C[N@H+]2CCC[C@H]2CC(C)C)n1 ZINC000153446521 388974353 /nfs/dbraw/zinc/97/43/53/388974353.db2.gz OZRMVJNGEYFPEW-ZDUSSCGKSA-N 0 3 248.370 3.106 20 0 BGADHN Cc1cc(CN[C@@H](C)[C@@H](C)c2ccccc2)no1 ZINC000153510602 178028490 /nfs/dbraw/zinc/02/84/90/178028490.db2.gz UQWVYMUYRLFESZ-OLZOCXBDSA-N 0 3 244.338 3.265 20 0 BGADHN Cc1cc(CN[C@H](C)[C@@H](C)c2ccccc2)no1 ZINC000153510687 178037251 /nfs/dbraw/zinc/03/72/51/178037251.db2.gz UQWVYMUYRLFESZ-CHWSQXEVSA-N 0 3 244.338 3.265 20 0 BGADHN Cc1cc(CN[C@@H](C)[C@H](C)c2ccccc2)no1 ZINC000153510797 178030916 /nfs/dbraw/zinc/03/09/16/178030916.db2.gz UQWVYMUYRLFESZ-STQMWFEESA-N 0 3 244.338 3.265 20 0 BGADHN Cc1cc(CN[C@H](C)[C@H](C)c2ccccc2)no1 ZINC000153510883 178037435 /nfs/dbraw/zinc/03/74/35/178037435.db2.gz UQWVYMUYRLFESZ-QWHCGFSZSA-N 0 3 244.338 3.265 20 0 BGADHN C[C@H](NCCCC1CCCCC1)c1cnccn1 ZINC000153537619 326101352 /nfs/dbraw/zinc/10/13/52/326101352.db2.gz IZNMDMZITGXUKM-ZDUSSCGKSA-N 0 3 247.386 3.488 20 0 BGADHN C[C@@H](NCCCC1CCCCC1)c1cnccn1 ZINC000153537723 326101152 /nfs/dbraw/zinc/10/11/52/326101152.db2.gz IZNMDMZITGXUKM-CYBMUJFWSA-N 0 3 247.386 3.488 20 0 BGADHN Cn1ccc(CN2CCC[C@@H]2c2ccsc2)c1 ZINC000153541808 385262113 /nfs/dbraw/zinc/26/21/13/385262113.db2.gz RBNCDLFJWDUITH-CQSZACIVSA-N 0 3 246.379 3.424 20 0 BGADHN Cn1ccc(CN2CCC[C@H]2c2ccsc2)c1 ZINC000153541923 180692029 /nfs/dbraw/zinc/69/20/29/180692029.db2.gz RBNCDLFJWDUITH-AWEZNQCLSA-N 0 3 246.379 3.424 20 0 BGADHN Cc1ccc(CN2CCC(C(C)C)CC2)nc1 ZINC000153544446 323052121 /nfs/dbraw/zinc/05/21/21/323052121.db2.gz MEUBTPNHRHHLIR-UHFFFAOYSA-N 0 3 232.371 3.258 20 0 BGADHN c1sc(C2CC2)nc1CNCCC1CCC1 ZINC000153546496 641816003 /nfs/dbraw/zinc/81/60/03/641816003.db2.gz YMJVIQPCRAFXJO-UHFFFAOYSA-N 0 3 236.384 3.300 20 0 BGADHN c1cc([C@@H]2CCCN2CC2=CCCOC2)cs1 ZINC000153558141 385265167 /nfs/dbraw/zinc/26/51/67/385265167.db2.gz LWKIACRDWZCQRN-AWEZNQCLSA-N 0 3 249.379 3.232 20 0 BGADHN c1cc([C@H]2CCCN2CC2=CCCOC2)cs1 ZINC000153558244 385265148 /nfs/dbraw/zinc/26/51/48/385265148.db2.gz LWKIACRDWZCQRN-CQSZACIVSA-N 0 3 249.379 3.232 20 0 BGADHN CC(=O)CCN1CCC(C)(c2ccccc2)CC1 ZINC000153590484 385267329 /nfs/dbraw/zinc/26/73/29/385267329.db2.gz VYWVLEZYFNKGPQ-UHFFFAOYSA-N 0 3 245.366 3.019 20 0 BGADHN CCOc1cccc(CN(CC)C2CCCC2)n1 ZINC000153672788 326106302 /nfs/dbraw/zinc/10/63/02/326106302.db2.gz CAWNQGHEQAWWDB-UHFFFAOYSA-N 0 3 248.370 3.245 20 0 BGADHN CCN(Cc1nc2ccccc2[nH]1)C1CCCC1 ZINC000153676329 343689997 /nfs/dbraw/zinc/68/99/97/343689997.db2.gz HOWXQLQQNQESDP-UHFFFAOYSA-N 0 3 243.354 3.327 20 0 BGADHN CCN(Cc1scnc1C)C1CCCC1 ZINC000153680310 346305427 /nfs/dbraw/zinc/30/54/27/346305427.db2.gz XHFRCIYMQSDGGE-UHFFFAOYSA-N 0 3 224.373 3.216 20 0 BGADHN CCN(Cc1cnc2cc(C)ccn12)CC(C)C ZINC000153690466 326107843 /nfs/dbraw/zinc/10/78/43/326107843.db2.gz HXBZHVLXTRPYRG-UHFFFAOYSA-N 0 3 245.370 3.121 20 0 BGADHN CCN(Cc1cnn(C(C)(C)C)c1)CC(C)C ZINC000153695786 326108237 /nfs/dbraw/zinc/10/82/37/326108237.db2.gz OOMRGIZVGSMIRN-UHFFFAOYSA-N 0 3 237.391 3.116 20 0 BGADHN Cc1ccc(CN(C)CCc2ccccc2)cn1 ZINC000153729224 344959638 /nfs/dbraw/zinc/95/96/38/344959638.db2.gz GLHQJGUBEBLGIK-UHFFFAOYSA-N 0 3 240.350 3.065 20 0 BGADHN CCN(Cc1ccn(C)c1)Cc1ccccc1C ZINC000153737368 326110968 /nfs/dbraw/zinc/11/09/68/326110968.db2.gz KCXOXIOVMDBWRE-UHFFFAOYSA-N 0 3 242.366 3.356 20 0 BGADHN CCN(Cc1ccccc1C)CC1=CCCOC1 ZINC000153742573 323053145 /nfs/dbraw/zinc/05/31/45/323053145.db2.gz LMRWASVZDHVLON-UHFFFAOYSA-N 0 3 245.366 3.164 20 0 BGADHN CCN(Cc1cccn1C)Cc1ccccc1C ZINC000153745245 326111500 /nfs/dbraw/zinc/11/15/00/326111500.db2.gz OFIYCBKIUKFYNZ-UHFFFAOYSA-N 0 3 242.366 3.356 20 0 BGADHN CCN(Cc1c[nH]nc1C)Cc1ccccc1C ZINC000153746752 346306938 /nfs/dbraw/zinc/30/69/38/346306938.db2.gz SNWFWOGMSZVLEZ-UHFFFAOYSA-N 0 3 243.354 3.049 20 0 BGADHN CN(Cc1ccc(OC(F)F)c(F)c1)C1CC1 ZINC000153755205 385278736 /nfs/dbraw/zinc/27/87/36/385278736.db2.gz NFPFZYVZROHWGA-UHFFFAOYSA-N 0 3 245.244 3.021 20 0 BGADHN COc1ccc2ccccc2c1CN(C)C1CC1 ZINC000153756869 326112147 /nfs/dbraw/zinc/11/21/47/326112147.db2.gz AEKWNOZCEODMGD-UHFFFAOYSA-N 0 3 241.334 3.443 20 0 BGADHN COc1cc(CN(C)C2CC2)ccc1OC(C)C ZINC000153757560 385279920 /nfs/dbraw/zinc/27/99/20/385279920.db2.gz RGFWSEJAADIYRT-UHFFFAOYSA-N 0 3 249.354 3.077 20 0 BGADHN Cc1ccc(CN(CC(C)C)C2CC2)cn1 ZINC000153759514 344969970 /nfs/dbraw/zinc/96/99/70/344969970.db2.gz BOJCRJPKGBCJMB-UHFFFAOYSA-N 0 3 218.344 3.010 20 0 BGADHN CN(Cc1coc2ccccc12)C1CC1 ZINC000153762323 326111739 /nfs/dbraw/zinc/11/17/39/326111739.db2.gz BDUJYMOVCIPTKI-UHFFFAOYSA-N 0 3 201.269 3.027 20 0 BGADHN CN(Cc1cc2ccccc2s1)C1CC1 ZINC000153762456 326109248 /nfs/dbraw/zinc/10/92/48/326109248.db2.gz GXEZWWGNYFVRHC-UHFFFAOYSA-N 0 3 217.337 3.496 20 0 BGADHN CN(Cc1ccc(F)c(Cl)c1)C1CC1 ZINC000153765251 385279670 /nfs/dbraw/zinc/27/96/70/385279670.db2.gz QXIQNERHUHMTIR-UHFFFAOYSA-N 0 3 213.683 3.073 20 0 BGADHN Cc1oc2ccccc2c1CN(C)C1CC1 ZINC000153774099 326112821 /nfs/dbraw/zinc/11/28/21/326112821.db2.gz SSHRKWABGCHYTQ-UHFFFAOYSA-N 0 3 215.296 3.335 20 0 BGADHN CC[C@@H]1c2ccsc2CCN1CCC(C)=O ZINC000153779231 171162519 /nfs/dbraw/zinc/16/25/19/171162519.db2.gz YTOXNZZAIBYTGR-GFCCVEGCSA-N 0 3 237.368 3.036 20 0 BGADHN CC[C@H]1c2ccsc2CCN1CCC(C)=O ZINC000153779337 385280721 /nfs/dbraw/zinc/28/07/21/385280721.db2.gz YTOXNZZAIBYTGR-LBPRGKRZSA-N 0 3 237.368 3.036 20 0 BGADHN CN(Cc1cc(F)cc(C(F)(F)F)c1)C1CC1 ZINC000153781786 326113140 /nfs/dbraw/zinc/11/31/40/326113140.db2.gz DGCRSQDCERPGCJ-UHFFFAOYSA-N 0 3 247.235 3.439 20 0 BGADHN CCCOc1ccc(CN(C)C2CC2)cc1OC ZINC000153784318 169318726 /nfs/dbraw/zinc/31/87/26/169318726.db2.gz ICNSDWGGGIZKOV-UHFFFAOYSA-N 0 3 249.354 3.078 20 0 BGADHN CCCOc1cccc(CN(C)C2CC2)c1 ZINC000153785060 326113345 /nfs/dbraw/zinc/11/33/45/326113345.db2.gz JVWKKFJGDIMBBP-UHFFFAOYSA-N 0 3 219.328 3.070 20 0 BGADHN CCCOc1cc(CN(C)C2CC2)ccc1OC ZINC000153786141 169314691 /nfs/dbraw/zinc/31/46/91/169314691.db2.gz CMMBOBQOMMEDCD-UHFFFAOYSA-N 0 3 249.354 3.078 20 0 BGADHN CN(Cc1ccccc1OCC1CC1)C1CC1 ZINC000153787358 326113171 /nfs/dbraw/zinc/11/31/71/326113171.db2.gz QBKMPYFRCLFRQR-UHFFFAOYSA-N 0 3 231.339 3.070 20 0 BGADHN CN(Cc1cccc(OC(F)(F)F)c1)C1CC1 ZINC000153791199 326113730 /nfs/dbraw/zinc/11/37/30/326113730.db2.gz NZZXVCITHJPKEW-UHFFFAOYSA-N 0 3 245.244 3.179 20 0 BGADHN Cc1ccc(CN2CCC[C@H]3CCC[C@@H]32)cn1 ZINC000153793113 344975930 /nfs/dbraw/zinc/97/59/30/344975930.db2.gz UGGZSLRFVITSJC-CABCVRRESA-N 0 3 230.355 3.155 20 0 BGADHN Cc1ccc(CN2CCC[C@@H]3CCC[C@@H]32)cn1 ZINC000153793222 344975939 /nfs/dbraw/zinc/97/59/39/344975939.db2.gz UGGZSLRFVITSJC-GJZGRUSLSA-N 0 3 230.355 3.155 20 0 BGADHN Cc1ccc(CN2CCC[C@H](C)CC2)cn1 ZINC000153798616 344976683 /nfs/dbraw/zinc/97/66/83/344976683.db2.gz SBZGGBJPYYKIBU-LBPRGKRZSA-N 0 3 218.344 3.012 20 0 BGADHN Cc1ccc(CN2CCC[C@@H](C)CC2)cn1 ZINC000153798734 344976305 /nfs/dbraw/zinc/97/63/05/344976305.db2.gz SBZGGBJPYYKIBU-GFCCVEGCSA-N 0 3 218.344 3.012 20 0 BGADHN COc1ccc2oc(CN(C)C3CC3)cc2c1 ZINC000153800519 175231308 /nfs/dbraw/zinc/23/13/08/175231308.db2.gz XBORCYFLJJJCPZ-UHFFFAOYSA-N 0 3 231.295 3.036 20 0 BGADHN CC(C)CCn1cccc1CN(C)C1CC1 ZINC000153802421 326114213 /nfs/dbraw/zinc/11/42/13/326114213.db2.gz VJTVWAVLDUUKHI-UHFFFAOYSA-N 0 3 220.360 3.128 20 0 BGADHN Cc1ccc(CN(C)CC2CCCC2)cn1 ZINC000153806857 344981129 /nfs/dbraw/zinc/98/11/29/344981129.db2.gz WGLGWNYBFWYZFQ-UHFFFAOYSA-N 0 3 218.344 3.012 20 0 BGADHN CCn1cc(CN(C)C2CCCCCC2)cn1 ZINC000153887554 385289065 /nfs/dbraw/zinc/28/90/65/385289065.db2.gz CBFSWHCTIMNXRH-UHFFFAOYSA-N 0 3 235.375 3.058 20 0 BGADHN Cc1ccc(CN2CC[C@H](CC(C)C)C2)cn1 ZINC000153890584 344996681 /nfs/dbraw/zinc/99/66/81/344996681.db2.gz YTDYQRBBQYDCPY-CQSZACIVSA-N 0 3 232.371 3.258 20 0 BGADHN Cc1ccc(CN2CC[C@@H](CC(C)C)C2)cn1 ZINC000153890692 344996712 /nfs/dbraw/zinc/99/67/12/344996712.db2.gz YTDYQRBBQYDCPY-AWEZNQCLSA-N 0 3 232.371 3.258 20 0 BGADHN CC[C@@H](C)NCc1cccnc1OC1CCCC1 ZINC000153891235 364722479 /nfs/dbraw/zinc/72/24/79/364722479.db2.gz SSZXBKHARUWWMX-GFCCVEGCSA-N 0 3 248.370 3.291 20 0 BGADHN CC[C@H](C)NCc1cccnc1OC1CCCC1 ZINC000153891341 364722485 /nfs/dbraw/zinc/72/24/85/364722485.db2.gz SSZXBKHARUWWMX-LBPRGKRZSA-N 0 3 248.370 3.291 20 0 BGADHN CC[C@]1(C)CCCN(Cc2ccc(C)nc2)C1 ZINC000153914859 398338167 /nfs/dbraw/zinc/33/81/67/398338167.db2.gz AHXZBWSNZGNTKI-OAHLLOKOSA-N 0 3 232.371 3.402 20 0 BGADHN CC[C@@]1(C)CCCN(Cc2ccc(C)nc2)C1 ZINC000153914972 345000209 /nfs/dbraw/zinc/00/02/09/345000209.db2.gz AHXZBWSNZGNTKI-HNNXBMFYSA-N 0 3 232.371 3.402 20 0 BGADHN CCC(CC)CN1CCCC[C@@H]1c1ncc[nH]1 ZINC000153921512 345002871 /nfs/dbraw/zinc/00/28/71/345002871.db2.gz UKEJMTZMKUQEAF-CYBMUJFWSA-N 0 3 235.375 3.373 20 0 BGADHN CCC(CC)CN1CCCC[C@H]1c1ncc[nH]1 ZINC000153921622 345002748 /nfs/dbraw/zinc/00/27/48/345002748.db2.gz UKEJMTZMKUQEAF-ZDUSSCGKSA-N 0 3 235.375 3.373 20 0 BGADHN Cc1csc(SCC[C@@H]2CCCN2C)n1 ZINC000153921856 385290755 /nfs/dbraw/zinc/29/07/55/385290755.db2.gz VZYNFCNMHASXNE-JTQLQIEISA-N 0 3 242.413 3.028 20 0 BGADHN Cc1csc(SCC[C@H]2CCCN2C)n1 ZINC000153921942 385290856 /nfs/dbraw/zinc/29/08/56/385290856.db2.gz VZYNFCNMHASXNE-SNVBAGLBSA-N 0 3 242.413 3.028 20 0 BGADHN CC(C)=CCN1CCC[C@@H]1c1ccncc1 ZINC000153928167 385291412 /nfs/dbraw/zinc/29/14/12/385291412.db2.gz VWCNRRWCWQBYOX-CQSZACIVSA-N 0 3 216.328 3.185 20 0 BGADHN CC(C)=CCN1CCC[C@H]1c1ccncc1 ZINC000153928274 385291712 /nfs/dbraw/zinc/29/17/12/385291712.db2.gz VWCNRRWCWQBYOX-AWEZNQCLSA-N 0 3 216.328 3.185 20 0 BGADHN Cc1ccc(CN2CCC(C(C)C)CC2)cn1 ZINC000153959951 345003801 /nfs/dbraw/zinc/00/38/01/345003801.db2.gz DOKBSXVKDQNQLP-UHFFFAOYSA-N 0 3 232.371 3.258 20 0 BGADHN Cc1ccc(CN(C)CCc2cccs2)cn1 ZINC000153961009 345003256 /nfs/dbraw/zinc/00/32/56/345003256.db2.gz IFLGTPLKPHQNBN-UHFFFAOYSA-N 0 3 246.379 3.126 20 0 BGADHN CCC[C@@H]1CCCN(Cc2ccc(C)nc2)C1 ZINC000153964597 345003424 /nfs/dbraw/zinc/00/34/24/345003424.db2.gz RDZOQQPKLVVEIV-CQSZACIVSA-N 0 3 232.371 3.402 20 0 BGADHN CCC[C@H]1CCCN(Cc2ccc(C)nc2)C1 ZINC000153964683 345003611 /nfs/dbraw/zinc/00/36/11/345003611.db2.gz RDZOQQPKLVVEIV-AWEZNQCLSA-N 0 3 232.371 3.402 20 0 BGADHN Cc1cccc([C@@H](C)CNCc2ccco2)c1 ZINC000153984275 326123339 /nfs/dbraw/zinc/12/33/39/326123339.db2.gz QWKPSILDSMRLQB-ZDUSSCGKSA-N 0 3 229.323 3.481 20 0 BGADHN Cc1cccc([C@H](C)CNCc2ccco2)c1 ZINC000153984383 326123573 /nfs/dbraw/zinc/12/35/73/326123573.db2.gz QWKPSILDSMRLQB-CYBMUJFWSA-N 0 3 229.323 3.481 20 0 BGADHN CN(CCC1CC1)Cc1nc2ccccc2o1 ZINC000154001945 384573189 /nfs/dbraw/zinc/57/31/89/384573189.db2.gz SZUMDVBIBKTNET-UHFFFAOYSA-N 0 3 230.311 3.060 20 0 BGADHN Cc1ccc(CN(C)[C@@H](C)C2(C)CC2)cn1 ZINC000154022793 345008470 /nfs/dbraw/zinc/00/84/70/345008470.db2.gz MAYWVXYMOTZQEN-LBPRGKRZSA-N 0 3 218.344 3.010 20 0 BGADHN Cc1ccc(CN(C)[C@H](C)C2(C)CC2)cn1 ZINC000154022909 345008616 /nfs/dbraw/zinc/00/86/16/345008616.db2.gz MAYWVXYMOTZQEN-GFCCVEGCSA-N 0 3 218.344 3.010 20 0 BGADHN CC(C)(CNCc1ncc[nH]1)C1CCCCC1 ZINC000154040291 326126260 /nfs/dbraw/zinc/12/62/60/326126260.db2.gz TUYSSNQRGVCVLG-UHFFFAOYSA-N 0 3 235.375 3.106 20 0 BGADHN CCCCOCCN1CCC[C@@H]1c1ccncc1 ZINC000154062232 326128244 /nfs/dbraw/zinc/12/82/44/326128244.db2.gz VALXARBFADSWDC-OAHLLOKOSA-N 0 3 248.370 3.035 20 0 BGADHN CCCCOCCN1CCC[C@H]1c1ccncc1 ZINC000154062346 326128432 /nfs/dbraw/zinc/12/84/32/326128432.db2.gz VALXARBFADSWDC-HNNXBMFYSA-N 0 3 248.370 3.035 20 0 BGADHN CC(C)(C)OCCN1CCC[C@@H]1c1ccncc1 ZINC000154064163 385300345 /nfs/dbraw/zinc/30/03/45/385300345.db2.gz UHCUVMUVABCSGE-CQSZACIVSA-N 0 3 248.370 3.034 20 0 BGADHN CC(C)(C)OCCN1CCC[C@H]1c1ccncc1 ZINC000154064294 385298389 /nfs/dbraw/zinc/29/83/89/385298389.db2.gz UHCUVMUVABCSGE-AWEZNQCLSA-N 0 3 248.370 3.034 20 0 BGADHN Cc1ccc(CN(C)CCc2cccs2)nc1 ZINC000154065398 345009791 /nfs/dbraw/zinc/00/97/91/345009791.db2.gz ONEDGXRBVFJNKX-UHFFFAOYSA-N 0 3 246.379 3.126 20 0 BGADHN C[C@@H](c1ccccc1)N1CCOC2(CCC2)C1 ZINC000154076588 176021427 /nfs/dbraw/zinc/02/14/27/176021427.db2.gz OGWWTTHKMDMYPP-ZDUSSCGKSA-N 0 3 231.339 3.003 20 0 BGADHN C[C@H](c1ccccc1)N1CCOC2(CCC2)C1 ZINC000154076721 177040149 /nfs/dbraw/zinc/04/01/49/177040149.db2.gz OGWWTTHKMDMYPP-CYBMUJFWSA-N 0 3 231.339 3.003 20 0 BGADHN Cc1cccc([C@@H](C)N2CCOC3(CCC3)C2)c1 ZINC000154079135 326129403 /nfs/dbraw/zinc/12/94/03/326129403.db2.gz ZWJQPLLVDINWCP-CQSZACIVSA-N 0 3 245.366 3.311 20 0 BGADHN Cc1cccc([C@H](C)N2CCOC3(CCC3)C2)c1 ZINC000154079243 326129381 /nfs/dbraw/zinc/12/93/81/326129381.db2.gz ZWJQPLLVDINWCP-AWEZNQCLSA-N 0 3 245.366 3.311 20 0 BGADHN CCc1nc(CN[C@@H]2CCC[C@@H]2CC)cs1 ZINC000154127504 201263516 /nfs/dbraw/zinc/26/35/16/201263516.db2.gz DXSAANIFXNRZRA-CMPLNLGQSA-N 0 3 238.400 3.374 20 0 BGADHN CCc1nc(CN[C@H]2CCC[C@@H]2CC)cs1 ZINC000154127618 201262374 /nfs/dbraw/zinc/26/23/74/201262374.db2.gz DXSAANIFXNRZRA-JQWIXIFHSA-N 0 3 238.400 3.374 20 0 BGADHN CCc1nc(CN[C@@H]2CCC[C@H]2CC)cs1 ZINC000154127703 201264157 /nfs/dbraw/zinc/26/41/57/201264157.db2.gz DXSAANIFXNRZRA-ZYHUDNBSSA-N 0 3 238.400 3.374 20 0 BGADHN CN(C)CCSCCc1ccccc1Cl ZINC000154127737 326132124 /nfs/dbraw/zinc/13/21/24/326132124.db2.gz BOIKTJPPTPDSEG-UHFFFAOYSA-N 0 3 243.803 3.177 20 0 BGADHN CCc1nc(CN[C@H]2CCC[C@H]2CC)cs1 ZINC000154127802 201262476 /nfs/dbraw/zinc/26/24/76/201262476.db2.gz DXSAANIFXNRZRA-PWSUYJOCSA-N 0 3 238.400 3.374 20 0 BGADHN CC[C@]1(C)CCCN(Cc2ccc(C)cn2)C1 ZINC000154130255 345016164 /nfs/dbraw/zinc/01/61/64/345016164.db2.gz VWXZRIBOKKGURU-OAHLLOKOSA-N 0 3 232.371 3.402 20 0 BGADHN CC[C@@]1(C)CCCN(Cc2ccc(C)cn2)C1 ZINC000154130364 345015918 /nfs/dbraw/zinc/01/59/18/345015918.db2.gz VWXZRIBOKKGURU-HNNXBMFYSA-N 0 3 232.371 3.402 20 0 BGADHN CC[C@@H](c1ccccc1)N1CCOC2(CCC2)C1 ZINC000154173512 326133721 /nfs/dbraw/zinc/13/37/21/326133721.db2.gz LPQBBDKQTWUQRV-HNNXBMFYSA-N 0 3 245.366 3.393 20 0 BGADHN CC[C@H](c1ccccc1)N1CCOC2(CCC2)C1 ZINC000154173626 326134081 /nfs/dbraw/zinc/13/40/81/326134081.db2.gz LPQBBDKQTWUQRV-OAHLLOKOSA-N 0 3 245.366 3.393 20 0 BGADHN Cc1ccc(CN2C[C@H](C)CC[C@@H]2C)nc1 ZINC000154177765 345019510 /nfs/dbraw/zinc/01/95/10/345019510.db2.gz KQIXNSYBGDTJKR-OLZOCXBDSA-N 0 3 218.344 3.010 20 0 BGADHN Cc1ccc(CN2C[C@@H](C)CC[C@@H]2C)nc1 ZINC000154177892 345019595 /nfs/dbraw/zinc/01/95/95/345019595.db2.gz KQIXNSYBGDTJKR-STQMWFEESA-N 0 3 218.344 3.010 20 0 BGADHN Cc1ccc(CN2CC[C@H](CC(C)C)C2)nc1 ZINC000154186909 345019309 /nfs/dbraw/zinc/01/93/09/345019309.db2.gz JPBBALYWDFUPAE-CQSZACIVSA-N 0 3 232.371 3.258 20 0 BGADHN Cc1ccc(CN2CC[C@@H](CC(C)C)C2)nc1 ZINC000154187037 345019395 /nfs/dbraw/zinc/01/93/95/345019395.db2.gz JPBBALYWDFUPAE-AWEZNQCLSA-N 0 3 232.371 3.258 20 0 BGADHN Cc1ccc(CN2[C@H](C)CCC[C@@H]2C)nc1 ZINC000154197303 541378493 /nfs/dbraw/zinc/37/84/93/541378493.db2.gz GCVXFSCTHXEVAM-BETUJISGSA-N 0 3 218.344 3.153 20 0 BGADHN Cc1ccccc1[C@@H](C)N1CCOC2(CCC2)C1 ZINC000154252055 326137172 /nfs/dbraw/zinc/13/71/72/326137172.db2.gz GSTWVIBMNCOELH-CQSZACIVSA-N 0 3 245.366 3.311 20 0 BGADHN Cc1ccccc1[C@H](C)N1CCOC2(CCC2)C1 ZINC000154252171 326136928 /nfs/dbraw/zinc/13/69/28/326136928.db2.gz GSTWVIBMNCOELH-AWEZNQCLSA-N 0 3 245.366 3.311 20 0 BGADHN CC[C@@H](C)NCc1cc(-c2ccccc2)on1 ZINC000154256698 385313458 /nfs/dbraw/zinc/31/34/58/385313458.db2.gz ABULBBVDQBXETI-LLVKDONJSA-N 0 3 230.311 3.230 20 0 BGADHN CC[C@H](C)NCc1cc(-c2ccccc2)on1 ZINC000154256814 171342136 /nfs/dbraw/zinc/34/21/36/171342136.db2.gz ABULBBVDQBXETI-NSHDSACASA-N 0 3 230.311 3.230 20 0 BGADHN CSC(C)(C)CN[C@@H](C)c1ccco1 ZINC000154282608 387898373 /nfs/dbraw/zinc/89/83/73/387898373.db2.gz XJTUBTSELPROMQ-VIFPVBQESA-N 0 3 213.346 3.072 20 0 BGADHN CSC(C)(C)CN[C@H](C)c1ccco1 ZINC000154282707 384601122 /nfs/dbraw/zinc/60/11/22/384601122.db2.gz XJTUBTSELPROMQ-SECBINFHSA-N 0 3 213.346 3.072 20 0 BGADHN C[C@@H](CN1CCOC2(CCC2)C1)c1ccccc1 ZINC000154293053 326138673 /nfs/dbraw/zinc/13/86/73/326138673.db2.gz AHNMFONRAOSIMR-AWEZNQCLSA-N 0 3 245.366 3.045 20 0 BGADHN C[C@H](CN1CCOC2(CCC2)C1)c1ccccc1 ZINC000154293150 326138696 /nfs/dbraw/zinc/13/86/96/326138696.db2.gz AHNMFONRAOSIMR-CQSZACIVSA-N 0 3 245.366 3.045 20 0 BGADHN CCCCCN(Cc1cn(C)nc1C)C(C)C ZINC000154350514 326140174 /nfs/dbraw/zinc/14/01/74/326140174.db2.gz SXXGRXUDCNUBBQ-UHFFFAOYSA-N 0 3 237.391 3.129 20 0 BGADHN CCCCCN(Cc1cnn(CC)c1)C(C)C ZINC000154351355 326140612 /nfs/dbraw/zinc/14/06/12/326140612.db2.gz CQQINZGMTQOEPZ-UHFFFAOYSA-N 0 3 237.391 3.304 20 0 BGADHN CCCCCN(Cc1ccnn1CC)C(C)C ZINC000154353973 326140571 /nfs/dbraw/zinc/14/05/71/326140571.db2.gz ZBBBYAKRXSZQKQ-UHFFFAOYSA-N 0 3 237.391 3.304 20 0 BGADHN CCCCCN(Cc1ccc(CO)o1)C(C)C ZINC000154354099 326140794 /nfs/dbraw/zinc/14/07/94/326140794.db2.gz FVUUDZKWHREJDG-UHFFFAOYSA-N 0 3 239.359 3.173 20 0 BGADHN CCCCCN(Cc1c[nH]nc1C)C(C)C ZINC000154364451 326141503 /nfs/dbraw/zinc/14/15/03/326141503.db2.gz GFDNWUWRNXRBHT-UHFFFAOYSA-N 0 3 223.364 3.119 20 0 BGADHN CC[C@@H](c1ccc(F)cc1)N1CCSCC1 ZINC000154371674 371106699 /nfs/dbraw/zinc/10/66/99/371106699.db2.gz PRXPPOMQFVPMOS-ZDUSSCGKSA-N 0 3 239.359 3.326 20 0 BGADHN CC[C@H](c1ccc(F)cc1)N1CCSCC1 ZINC000154371784 371106843 /nfs/dbraw/zinc/10/68/43/371106843.db2.gz PRXPPOMQFVPMOS-CYBMUJFWSA-N 0 3 239.359 3.326 20 0 BGADHN Cc1ccc(CN[C@@H](C)CC(F)(F)F)cc1 ZINC000154537550 201281145 /nfs/dbraw/zinc/28/11/45/201281145.db2.gz SCURDGDENIZTOQ-JTQLQIEISA-N 0 3 231.261 3.426 20 0 BGADHN Cc1ccc(CN[C@H](C)CC(F)(F)F)cc1 ZINC000154537668 201282097 /nfs/dbraw/zinc/28/20/97/201282097.db2.gz SCURDGDENIZTOQ-SNVBAGLBSA-N 0 3 231.261 3.426 20 0 BGADHN CC[C@H](NCCc1ccco1)c1ccc(F)cn1 ZINC000154560766 345043902 /nfs/dbraw/zinc/04/39/02/345043902.db2.gz LFAOERRJVZTHJN-ZDUSSCGKSA-N 0 3 248.301 3.097 20 0 BGADHN CC[C@@H](NCCc1ccco1)c1ccc(F)cn1 ZINC000154560874 345044451 /nfs/dbraw/zinc/04/44/51/345044451.db2.gz LFAOERRJVZTHJN-CYBMUJFWSA-N 0 3 248.301 3.097 20 0 BGADHN COc1ccccc1CCN[C@@H](C)c1ccco1 ZINC000154574315 201283229 /nfs/dbraw/zinc/28/32/29/201283229.db2.gz PXVFJTBVGOEYEM-LBPRGKRZSA-N 0 3 245.322 3.182 20 0 BGADHN COc1ccccc1CCN[C@H](C)c1ccco1 ZINC000154574427 201283915 /nfs/dbraw/zinc/28/39/15/201283915.db2.gz PXVFJTBVGOEYEM-GFCCVEGCSA-N 0 3 245.322 3.182 20 0 BGADHN Cc1cccnc1CN[C@@H](C)Cc1ccsc1 ZINC000154618591 326153537 /nfs/dbraw/zinc/15/35/37/326153537.db2.gz MGAISKHSAPTCGB-LBPRGKRZSA-N 0 3 246.379 3.172 20 0 BGADHN Cc1cccnc1CN[C@H](C)Cc1ccsc1 ZINC000154618695 326153344 /nfs/dbraw/zinc/15/33/44/326153344.db2.gz MGAISKHSAPTCGB-GFCCVEGCSA-N 0 3 246.379 3.172 20 0 BGADHN CC(C)=CCN(C)CCOCc1ccccc1 ZINC000154679072 326157419 /nfs/dbraw/zinc/15/74/19/326157419.db2.gz BSOZCXJKHLUSOE-UHFFFAOYSA-N 0 3 233.355 3.101 20 0 BGADHN Cc1n[nH]cc1CN(Cc1ccccc1)C(C)C ZINC000154679454 206065643 /nfs/dbraw/zinc/06/56/43/206065643.db2.gz NGKPMSWDPONWAL-UHFFFAOYSA-N 0 3 243.354 3.129 20 0 BGADHN CCCN(Cc1cccc(OCC)n1)CC1CC1 ZINC000154689736 326157892 /nfs/dbraw/zinc/15/78/92/326157892.db2.gz MYGDOFSFQCSFSJ-UHFFFAOYSA-N 0 3 248.370 3.102 20 0 BGADHN CCCOc1ncccc1CN[C@@H](C)C(C)C ZINC000154695057 384656184 /nfs/dbraw/zinc/65/61/84/384656184.db2.gz HWVQEIIOSGKGCZ-LBPRGKRZSA-N 0 3 236.359 3.005 20 0 BGADHN CCCOc1ncccc1CN[C@H](C)C(C)C ZINC000154695158 384657430 /nfs/dbraw/zinc/65/74/30/384657430.db2.gz HWVQEIIOSGKGCZ-GFCCVEGCSA-N 0 3 236.359 3.005 20 0 BGADHN CCCOc1ncccc1CN[C@@H](C)C1(C)CC1 ZINC000154725471 384660131 /nfs/dbraw/zinc/66/01/31/384660131.db2.gz OOCYPIMVGLZVHG-LBPRGKRZSA-N 0 3 248.370 3.149 20 0 BGADHN CCCOc1ncccc1CN[C@H](C)C1(C)CC1 ZINC000154725559 384661027 /nfs/dbraw/zinc/66/10/27/384661027.db2.gz OOCYPIMVGLZVHG-GFCCVEGCSA-N 0 3 248.370 3.149 20 0 BGADHN CCCOc1ncccc1CN[C@@H](CC)C1CC1 ZINC000154731842 384660445 /nfs/dbraw/zinc/66/04/45/384660445.db2.gz KHYREUUYVQMFMY-AWEZNQCLSA-N 0 3 248.370 3.149 20 0 BGADHN CCCOc1ncccc1CN[C@H](CC)C1CC1 ZINC000154731969 384661137 /nfs/dbraw/zinc/66/11/37/384661137.db2.gz KHYREUUYVQMFMY-CQSZACIVSA-N 0 3 248.370 3.149 20 0 BGADHN Cc1nn(C)c(C)c1CN(C)C1CCC(C)CC1 ZINC000154732078 326162597 /nfs/dbraw/zinc/16/25/97/326162597.db2.gz UFFLBLKHEFOGOU-UHFFFAOYSA-N 0 3 249.402 3.047 20 0 BGADHN CCc1nc(C)c([C@@H](C)NCCSC)s1 ZINC000154738510 371153882 /nfs/dbraw/zinc/15/38/82/371153882.db2.gz IJNLKJNAWJHJHC-MRVPVSSYSA-N 0 3 244.429 3.028 20 0 BGADHN CCc1nc(C)c([C@H](C)NCCSC)s1 ZINC000154738620 371153852 /nfs/dbraw/zinc/15/38/52/371153852.db2.gz IJNLKJNAWJHJHC-QMMMGPOBSA-N 0 3 244.429 3.028 20 0 BGADHN CSCCN[C@@H](CC(C)C)c1ccccn1 ZINC000154741619 387374813 /nfs/dbraw/zinc/37/48/13/387374813.db2.gz JSXHCBBPYAUIOY-ZDUSSCGKSA-N 0 3 238.400 3.121 20 0 BGADHN CSCCN[C@H](CC(C)C)c1ccccn1 ZINC000154741737 371156385 /nfs/dbraw/zinc/15/63/85/371156385.db2.gz JSXHCBBPYAUIOY-CYBMUJFWSA-N 0 3 238.400 3.121 20 0 BGADHN CCCCOc1ncccc1CN[C@@H](C)CC ZINC000154754896 326163146 /nfs/dbraw/zinc/16/31/46/326163146.db2.gz KWUDKZPOUWSBQZ-LBPRGKRZSA-N 0 3 236.359 3.149 20 0 BGADHN CCCCOc1ncccc1CN[C@H](C)CC ZINC000154754985 326162906 /nfs/dbraw/zinc/16/29/06/326162906.db2.gz KWUDKZPOUWSBQZ-GFCCVEGCSA-N 0 3 236.359 3.149 20 0 BGADHN CC[C@H](NCCSC)c1cc(F)ccc1F ZINC000154755572 385352537 /nfs/dbraw/zinc/35/25/37/385352537.db2.gz POMNPIWPATUNBX-LBPRGKRZSA-N 0 3 245.338 3.369 20 0 BGADHN CC[C@@H](NCCSC)c1cc(F)ccc1F ZINC000154755672 385353457 /nfs/dbraw/zinc/35/34/57/385353457.db2.gz POMNPIWPATUNBX-GFCCVEGCSA-N 0 3 245.338 3.369 20 0 BGADHN CSCCN[C@@H]1CC(C)(C)Cc2occc21 ZINC000154761341 371160263 /nfs/dbraw/zinc/16/02/63/371160263.db2.gz CCLLMLKYJFTRQH-LLVKDONJSA-N 0 3 239.384 3.246 20 0 BGADHN CSCCN[C@H]1CC(C)(C)Cc2occc21 ZINC000154761456 371160822 /nfs/dbraw/zinc/16/08/22/371160822.db2.gz CCLLMLKYJFTRQH-NSHDSACASA-N 0 3 239.384 3.246 20 0 BGADHN Cc1ccc(CN2CC[C@]3(CC[C@H](C)C3)C2)cn1 ZINC000154792031 345050231 /nfs/dbraw/zinc/05/02/31/345050231.db2.gz ZWAMHNXOIWLMCK-BBRMVZONSA-N 0 3 244.382 3.402 20 0 BGADHN Cc1ccc(CN2CC[C@@]3(CC[C@H](C)C3)C2)cn1 ZINC000154792153 345050794 /nfs/dbraw/zinc/05/07/94/345050794.db2.gz ZWAMHNXOIWLMCK-XJKSGUPXSA-N 0 3 244.382 3.402 20 0 BGADHN Cc1nn(C)c(C)c1CN(CCC(C)C)C1CC1 ZINC000154825509 326166555 /nfs/dbraw/zinc/16/65/55/326166555.db2.gz VDGGCROHJJMHMA-UHFFFAOYSA-N 0 3 249.402 3.047 20 0 BGADHN CCCCN(CC)Cc1nc2ccccc2n1C ZINC000154830073 326166488 /nfs/dbraw/zinc/16/64/88/326166488.db2.gz JYQCVSCKGTWNIZ-UHFFFAOYSA-N 0 3 245.370 3.195 20 0 BGADHN COc1ccnc(CN2CCC[C@H]2CC(C)C)c1 ZINC000154913138 201299540 /nfs/dbraw/zinc/29/95/40/201299540.db2.gz FTLIGKBCLHIZEH-AWEZNQCLSA-N 0 3 248.370 3.101 20 0 BGADHN COc1ccnc(CN2CCC[C@@H]2CC(C)C)c1 ZINC000154913254 201298922 /nfs/dbraw/zinc/29/89/22/201298922.db2.gz FTLIGKBCLHIZEH-CQSZACIVSA-N 0 3 248.370 3.101 20 0 BGADHN CO[C@@H](CN[C@H](C)c1ccc(C)o1)C(C)(C)C ZINC000154987012 397745557 /nfs/dbraw/zinc/74/55/57/397745557.db2.gz ZZALVJVVMJVQLN-YPMHNXCESA-N 0 3 239.359 3.300 20 0 BGADHN CO[C@@H](CN[C@@H](C)c1ccc(C)o1)C(C)(C)C ZINC000154987112 397745671 /nfs/dbraw/zinc/74/56/71/397745671.db2.gz ZZALVJVVMJVQLN-AAEUAGOBSA-N 0 3 239.359 3.300 20 0 BGADHN CO[C@H](CN[C@H](C)c1ccc(C)o1)C(C)(C)C ZINC000154987228 397745980 /nfs/dbraw/zinc/74/59/80/397745980.db2.gz ZZALVJVVMJVQLN-DGCLKSJQSA-N 0 3 239.359 3.300 20 0 BGADHN CO[C@H](CN[C@@H](C)c1ccc(C)o1)C(C)(C)C ZINC000154987346 397745577 /nfs/dbraw/zinc/74/55/77/397745577.db2.gz ZZALVJVVMJVQLN-WCQYABFASA-N 0 3 239.359 3.300 20 0 BGADHN Cc1ccc([C@@H](C)NCCc2ccccc2O)o1 ZINC000155006070 385369096 /nfs/dbraw/zinc/36/90/96/385369096.db2.gz ZGWWXMUBMJFVQD-GFCCVEGCSA-N 0 3 245.322 3.187 20 0 BGADHN Cc1ccc([C@H](C)NCCc2ccccc2O)o1 ZINC000155006157 385370816 /nfs/dbraw/zinc/37/08/16/385370816.db2.gz ZGWWXMUBMJFVQD-LBPRGKRZSA-N 0 3 245.322 3.187 20 0 BGADHN c1ncc(CN2CC[C@@H](c3ccccc3)C2)s1 ZINC000155056394 385373556 /nfs/dbraw/zinc/37/35/56/385373556.db2.gz LGLFELOGJMLKAT-CYBMUJFWSA-N 0 3 244.363 3.133 20 0 BGADHN c1ncc(CN2CC[C@H](c3ccccc3)C2)s1 ZINC000155056497 385373784 /nfs/dbraw/zinc/37/37/84/385373784.db2.gz LGLFELOGJMLKAT-ZDUSSCGKSA-N 0 3 244.363 3.133 20 0 BGADHN CS[C@@H](C)CN[C@@H](C)c1ccc(F)c(F)c1 ZINC000155092377 385374748 /nfs/dbraw/zinc/37/47/48/385374748.db2.gz KUCNAGWNXNUSLB-IUCAKERBSA-N 0 3 245.338 3.367 20 0 BGADHN CS[C@H](C)CN[C@@H](C)c1ccc(F)c(F)c1 ZINC000155092481 385375800 /nfs/dbraw/zinc/37/58/00/385375800.db2.gz KUCNAGWNXNUSLB-BDAKNGLRSA-N 0 3 245.338 3.367 20 0 BGADHN CS[C@@H](C)CN[C@H](C)c1ccc(F)c(F)c1 ZINC000155092582 175544625 /nfs/dbraw/zinc/54/46/25/175544625.db2.gz KUCNAGWNXNUSLB-DTWKUNHWSA-N 0 3 245.338 3.367 20 0 BGADHN CS[C@H](C)CN[C@H](C)c1ccc(F)c(F)c1 ZINC000155092687 385375584 /nfs/dbraw/zinc/37/55/84/385375584.db2.gz KUCNAGWNXNUSLB-RKDXNWHRSA-N 0 3 245.338 3.367 20 0 BGADHN CS[C@@H](C)CN[C@@H](C)c1cc(F)ccc1F ZINC000155093222 385375179 /nfs/dbraw/zinc/37/51/79/385375179.db2.gz AAGCXCDDTOOCBI-IUCAKERBSA-N 0 3 245.338 3.367 20 0 BGADHN CS[C@H](C)CN[C@@H](C)c1cc(F)ccc1F ZINC000155093332 385375128 /nfs/dbraw/zinc/37/51/28/385375128.db2.gz AAGCXCDDTOOCBI-BDAKNGLRSA-N 0 3 245.338 3.367 20 0 BGADHN CS[C@@H](C)CN[C@H](C)c1cc(F)ccc1F ZINC000155093429 385374705 /nfs/dbraw/zinc/37/47/05/385374705.db2.gz AAGCXCDDTOOCBI-DTWKUNHWSA-N 0 3 245.338 3.367 20 0 BGADHN CS[C@H](C)CN[C@H](C)c1cc(F)ccc1F ZINC000155093542 385375327 /nfs/dbraw/zinc/37/53/27/385375327.db2.gz AAGCXCDDTOOCBI-RKDXNWHRSA-N 0 3 245.338 3.367 20 0 BGADHN c1coc(CN2CC[C@@H](Cc3ccccc3)C2)c1 ZINC000155095466 345067673 /nfs/dbraw/zinc/06/76/73/345067673.db2.gz LOLSJGBXANWNOE-HNNXBMFYSA-N 0 3 241.334 3.344 20 0 BGADHN c1coc(CN2CC[C@H](Cc3ccccc3)C2)c1 ZINC000155095556 345067591 /nfs/dbraw/zinc/06/75/91/345067591.db2.gz LOLSJGBXANWNOE-OAHLLOKOSA-N 0 3 241.334 3.344 20 0 BGADHN CS[C@@H](C)CN[C@@H](C)c1ccccc1F ZINC000155096295 387903293 /nfs/dbraw/zinc/90/32/93/387903293.db2.gz XOTZMPMLCYFJIO-UWVGGRQHSA-N 0 3 227.348 3.228 20 0 BGADHN CS[C@H](C)CN[C@@H](C)c1ccccc1F ZINC000155096389 387903391 /nfs/dbraw/zinc/90/33/91/387903391.db2.gz XOTZMPMLCYFJIO-ZJUUUORDSA-N 0 3 227.348 3.228 20 0 BGADHN CS[C@@H](C)CN[C@H](C)c1ccccc1F ZINC000155096458 175545025 /nfs/dbraw/zinc/54/50/25/175545025.db2.gz XOTZMPMLCYFJIO-VHSXEESVSA-N 0 3 227.348 3.228 20 0 BGADHN CS[C@H](C)CN[C@H](C)c1ccccc1F ZINC000155096550 387903181 /nfs/dbraw/zinc/90/31/81/387903181.db2.gz XOTZMPMLCYFJIO-NXEZZACHSA-N 0 3 227.348 3.228 20 0 BGADHN CS[C@@H](C)CN[C@@H](C)c1ccc(F)cc1F ZINC000155106669 385376650 /nfs/dbraw/zinc/37/66/50/385376650.db2.gz PNDKLZIRYFPVMZ-IUCAKERBSA-N 0 3 245.338 3.367 20 0 BGADHN CS[C@H](C)CN[C@@H](C)c1ccc(F)cc1F ZINC000155106778 385377807 /nfs/dbraw/zinc/37/78/07/385377807.db2.gz PNDKLZIRYFPVMZ-BDAKNGLRSA-N 0 3 245.338 3.367 20 0 BGADHN CS[C@@H](C)CN[C@H](C)c1ccc(F)cc1F ZINC000155106876 385376546 /nfs/dbraw/zinc/37/65/46/385376546.db2.gz PNDKLZIRYFPVMZ-DTWKUNHWSA-N 0 3 245.338 3.367 20 0 BGADHN CS[C@H](C)CN[C@H](C)c1ccc(F)cc1F ZINC000155106988 385377228 /nfs/dbraw/zinc/37/72/28/385377228.db2.gz PNDKLZIRYFPVMZ-RKDXNWHRSA-N 0 3 245.338 3.367 20 0 BGADHN CO[C@]1(C)C[C@@H](N[C@@H](C)c2ccco2)C1(C)C ZINC000155160800 385378464 /nfs/dbraw/zinc/37/84/64/385378464.db2.gz XEXUMHIBYLMFTQ-ZKYQVNSYSA-N 0 3 237.343 3.134 20 0 BGADHN CO[C@]1(C)C[C@@H](N[C@H](C)c2ccco2)C1(C)C ZINC000155160904 385378837 /nfs/dbraw/zinc/37/88/37/385378837.db2.gz XEXUMHIBYLMFTQ-MPKXVKKWSA-N 0 3 237.343 3.134 20 0 BGADHN CO[C@]1(C)C[C@H](N[C@@H](C)c2ccco2)C1(C)C ZINC000155161010 385378577 /nfs/dbraw/zinc/37/85/77/385378577.db2.gz XEXUMHIBYLMFTQ-VHRBIJSZSA-N 0 3 237.343 3.134 20 0 BGADHN CO[C@]1(C)C[C@H](N[C@H](C)c2ccco2)C1(C)C ZINC000155161115 385378712 /nfs/dbraw/zinc/37/87/12/385378712.db2.gz XEXUMHIBYLMFTQ-SCDSUCTJSA-N 0 3 237.343 3.134 20 0 BGADHN C[C@@H](CC(F)(F)F)NCc1ccsc1 ZINC000155391593 201331618 /nfs/dbraw/zinc/33/16/18/201331618.db2.gz HOELERKZUBWKMA-ZETCQYMHSA-N 0 3 223.263 3.179 20 0 BGADHN C[C@H](CC(F)(F)F)NCc1ccsc1 ZINC000155391690 201331040 /nfs/dbraw/zinc/33/10/40/201331040.db2.gz HOELERKZUBWKMA-SSDOTTSWSA-N 0 3 223.263 3.179 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CN(C)CC2CC2)o1 ZINC000155448628 326196459 /nfs/dbraw/zinc/19/64/59/326196459.db2.gz BTZLOYFPMOIIQP-MFKMUULPSA-N 0 3 219.328 3.245 20 0 BGADHN C[C@H]1C[C@@H]1c1ccc(CN(C)CC2CC2)o1 ZINC000155448704 326196573 /nfs/dbraw/zinc/19/65/73/326196573.db2.gz BTZLOYFPMOIIQP-GWCFXTLKSA-N 0 3 219.328 3.245 20 0 BGADHN C[C@@H]1C[C@H]1c1ccc(CN(C)CC2CC2)o1 ZINC000155448802 326196534 /nfs/dbraw/zinc/19/65/34/326196534.db2.gz BTZLOYFPMOIIQP-ZWNOBZJWSA-N 0 3 219.328 3.245 20 0 BGADHN C[C@H]1C[C@H]1c1ccc(CN(C)CC2CC2)o1 ZINC000155448909 326196417 /nfs/dbraw/zinc/19/64/17/326196417.db2.gz BTZLOYFPMOIIQP-GXFFZTMASA-N 0 3 219.328 3.245 20 0 BGADHN CCO[C@@H]1CCCN(Cc2sccc2C)C1 ZINC000155462324 538715715 /nfs/dbraw/zinc/71/57/15/538715715.db2.gz SABMJLMPNWEUII-GFCCVEGCSA-N 0 3 239.384 3.057 20 0 BGADHN CCO[C@H]1CCCN(Cc2sccc2C)C1 ZINC000155462431 538716648 /nfs/dbraw/zinc/71/66/48/538716648.db2.gz SABMJLMPNWEUII-LBPRGKRZSA-N 0 3 239.384 3.057 20 0 BGADHN CCO[C@@H]1CCCN(Cc2ccc(C)s2)C1 ZINC000155465100 538716104 /nfs/dbraw/zinc/71/61/04/538716104.db2.gz SGYGETHSRXYQQC-GFCCVEGCSA-N 0 3 239.384 3.057 20 0 BGADHN CCO[C@H]1CCCN(Cc2ccc(C)s2)C1 ZINC000155465171 538716003 /nfs/dbraw/zinc/71/60/03/538716003.db2.gz SGYGETHSRXYQQC-LBPRGKRZSA-N 0 3 239.384 3.057 20 0 BGADHN COc1ccccc1CN(CC1CC1)C1CC1 ZINC000155621864 175326544 /nfs/dbraw/zinc/32/65/44/175326544.db2.gz AGZYAILNZZLHCP-UHFFFAOYSA-N 0 3 231.339 3.070 20 0 BGADHN c1ccc2c(c1)CCCN(Cc1ccncc1)C2 ZINC000155695526 385406007 /nfs/dbraw/zinc/40/60/07/385406007.db2.gz IMNKXESLEWAMOB-UHFFFAOYSA-N 0 3 238.334 3.030 20 0 BGADHN CCO[C@@H](CCN[C@@H](C)c1ccco1)C(C)C ZINC000155731580 385407931 /nfs/dbraw/zinc/40/79/31/385407931.db2.gz DMIZVJOJCBDHAQ-STQMWFEESA-N 0 3 239.359 3.381 20 0 BGADHN CCO[C@H](CCN[C@@H](C)c1ccco1)C(C)C ZINC000155731699 385408343 /nfs/dbraw/zinc/40/83/43/385408343.db2.gz DMIZVJOJCBDHAQ-QWHCGFSZSA-N 0 3 239.359 3.381 20 0 BGADHN CCO[C@@H](CCN[C@H](C)c1ccco1)C(C)C ZINC000155731808 385408659 /nfs/dbraw/zinc/40/86/59/385408659.db2.gz DMIZVJOJCBDHAQ-OLZOCXBDSA-N 0 3 239.359 3.381 20 0 BGADHN CCO[C@H](CCN[C@H](C)c1ccco1)C(C)C ZINC000155731923 385408047 /nfs/dbraw/zinc/40/80/47/385408047.db2.gz DMIZVJOJCBDHAQ-CHWSQXEVSA-N 0 3 239.359 3.381 20 0 BGADHN CCCNCc1cccc(F)c1Br ZINC000155827219 360925769 /nfs/dbraw/zinc/92/57/69/360925769.db2.gz AYCKRZMNUMKRGI-UHFFFAOYSA-N 0 3 246.123 3.088 20 0 BGADHN CC(C)NCc1cccc(F)c1Br ZINC000155827350 167119576 /nfs/dbraw/zinc/11/95/76/167119576.db2.gz XTFMHYMUSMMUBD-UHFFFAOYSA-N 0 3 246.123 3.086 20 0 BGADHN Cc1nccc(CN[C@@H]2CCC(C)(C)C[C@@H]2C)n1 ZINC000155908502 345113498 /nfs/dbraw/zinc/11/34/98/345113498.db2.gz DGDIBLYAJBVXKX-SMDDNHRTSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1nccc(CN[C@H]2CCC(C)(C)C[C@@H]2C)n1 ZINC000155908611 345113435 /nfs/dbraw/zinc/11/34/35/345113435.db2.gz DGDIBLYAJBVXKX-FZMZJTMJSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1nccc(CN[C@@H]2CCC(C)(C)C[C@H]2C)n1 ZINC000155908723 345113481 /nfs/dbraw/zinc/11/34/81/345113481.db2.gz DGDIBLYAJBVXKX-BXUZGUMPSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1nccc(CN[C@H]2CCC(C)(C)C[C@H]2C)n1 ZINC000155908844 345113458 /nfs/dbraw/zinc/11/34/58/345113458.db2.gz DGDIBLYAJBVXKX-RISCZKNCSA-N 0 3 247.386 3.089 20 0 BGADHN COc1ccc(CN2CCC[C@@H](C)CC2)cc1O ZINC000156024425 385430012 /nfs/dbraw/zinc/43/00/12/385430012.db2.gz LRUZBNPYFVSQCM-GFCCVEGCSA-N 0 3 249.354 3.023 20 0 BGADHN COc1ccc(CN2CCC[C@H](C)CC2)cc1O ZINC000156024529 175100635 /nfs/dbraw/zinc/10/06/35/175100635.db2.gz LRUZBNPYFVSQCM-LBPRGKRZSA-N 0 3 249.354 3.023 20 0 BGADHN CCc1ccc([C@@H](C)NCCc2ccco2)o1 ZINC000156027697 345119429 /nfs/dbraw/zinc/11/94/29/345119429.db2.gz JFMJSVMVTMHCCP-LLVKDONJSA-N 0 3 233.311 3.328 20 0 BGADHN CCc1ccc([C@H](C)NCCc2ccco2)o1 ZINC000156027829 345120052 /nfs/dbraw/zinc/12/00/52/345120052.db2.gz JFMJSVMVTMHCCP-NSHDSACASA-N 0 3 233.311 3.328 20 0 BGADHN CCO[C@@H]1CCCN(C/C=C/c2ccccc2)C1 ZINC000156028336 371341262 /nfs/dbraw/zinc/34/12/62/371341262.db2.gz MMQAMNQZDGFQSA-VGZDNEPHSA-N 0 3 245.366 3.201 20 0 BGADHN CCO[C@H]1CCCN(C/C=C/c2ccccc2)C1 ZINC000156028456 371342123 /nfs/dbraw/zinc/34/21/23/371342123.db2.gz MMQAMNQZDGFQSA-DHINHOHASA-N 0 3 245.366 3.201 20 0 BGADHN COc1ccc(CN2CCCC(C)(C)C2)cc1O ZINC000156036075 385430673 /nfs/dbraw/zinc/43/06/73/385430673.db2.gz ZLAJVUFRWSTDPS-UHFFFAOYSA-N 0 3 249.354 3.023 20 0 BGADHN CC[C@H](NCc1ccc(C)nc1)c1ccncc1 ZINC000156038254 345119758 /nfs/dbraw/zinc/11/97/58/345119758.db2.gz JXGCFJIGVXWQQD-HNNXBMFYSA-N 0 3 241.338 3.026 20 0 BGADHN CC[C@@H](NCc1ccc(C)nc1)c1ccncc1 ZINC000156038370 345119822 /nfs/dbraw/zinc/11/98/22/345119822.db2.gz JXGCFJIGVXWQQD-OAHLLOKOSA-N 0 3 241.338 3.026 20 0 BGADHN COc1ccc(CN2C[C@H](C)CC[C@@H]2C)cc1O ZINC000156054743 385432656 /nfs/dbraw/zinc/43/26/56/385432656.db2.gz LCDTYBSFWPBJQA-NEPJUHHUSA-N 0 3 249.354 3.021 20 0 BGADHN COc1ccc(CN2C[C@@H](C)CC[C@@H]2C)cc1O ZINC000156054868 385432027 /nfs/dbraw/zinc/43/20/27/385432027.db2.gz LCDTYBSFWPBJQA-RYUDHWBXSA-N 0 3 249.354 3.021 20 0 BGADHN COc1ccc(CN2C[C@H](C)CC[C@H]2C)cc1O ZINC000156054983 385432109 /nfs/dbraw/zinc/43/21/09/385432109.db2.gz LCDTYBSFWPBJQA-VXGBXAGGSA-N 0 3 249.354 3.021 20 0 BGADHN COc1ccc(CN2C[C@@H](C)CC[C@H]2C)cc1O ZINC000156055095 385432125 /nfs/dbraw/zinc/43/21/25/385432125.db2.gz LCDTYBSFWPBJQA-NWDGAFQWSA-N 0 3 249.354 3.021 20 0 BGADHN Cc1ccc([C@@H](C)NCCc2c(C)noc2C)o1 ZINC000156065679 385434215 /nfs/dbraw/zinc/43/42/15/385434215.db2.gz FNGLJRBWKQLCNQ-LLVKDONJSA-N 0 3 248.326 3.086 20 0 BGADHN Cc1ccc([C@H](C)NCCc2c(C)noc2C)o1 ZINC000156065797 385433369 /nfs/dbraw/zinc/43/33/69/385433369.db2.gz FNGLJRBWKQLCNQ-NSHDSACASA-N 0 3 248.326 3.086 20 0 BGADHN CC(=O)CCN(Cc1ccc(F)cc1)CC1CC1 ZINC000156096598 385436791 /nfs/dbraw/zinc/43/67/91/385436791.db2.gz OOAPIHWCVQXMDP-UHFFFAOYSA-N 0 3 249.329 3.017 20 0 BGADHN CCCCN(CC)Cc1ccc(C)cn1 ZINC000156105855 326218989 /nfs/dbraw/zinc/21/89/89/326218989.db2.gz BBQDWDCNGDSCAS-UHFFFAOYSA-N 0 3 206.333 3.012 20 0 BGADHN COc1ccnc(CN2CCCC[C@H]2C(C)C)c1 ZINC000156120847 326219518 /nfs/dbraw/zinc/21/95/18/326219518.db2.gz RNYLMYWTHVUQPY-HNNXBMFYSA-N 0 3 248.370 3.101 20 0 BGADHN COc1ccnc(CN2CCCC[C@@H]2C(C)C)c1 ZINC000156120957 326219194 /nfs/dbraw/zinc/21/91/94/326219194.db2.gz RNYLMYWTHVUQPY-OAHLLOKOSA-N 0 3 248.370 3.101 20 0 BGADHN CC(=O)CCN1CCCCC[C@@H]1c1ccco1 ZINC000156148855 345128060 /nfs/dbraw/zinc/12/80/60/345128060.db2.gz VYWIRMVXRIUXPX-CYBMUJFWSA-N 0 3 235.327 3.176 20 0 BGADHN CC(=O)CCN1CCCCC[C@H]1c1ccco1 ZINC000156148974 345127823 /nfs/dbraw/zinc/12/78/23/345127823.db2.gz VYWIRMVXRIUXPX-ZDUSSCGKSA-N 0 3 235.327 3.176 20 0 BGADHN CC(=O)CCN1CCCCC[C@H]1c1ccc(C)o1 ZINC000156168025 187300661 /nfs/dbraw/zinc/30/06/61/187300661.db2.gz FKFIOXCUFWMQPH-AWEZNQCLSA-N 0 3 249.354 3.484 20 0 BGADHN CC(=O)CCN1CCCCC[C@@H]1c1ccc(C)o1 ZINC000156168153 385440517 /nfs/dbraw/zinc/44/05/17/385440517.db2.gz FKFIOXCUFWMQPH-CQSZACIVSA-N 0 3 249.354 3.484 20 0 BGADHN Cc1ccc(CN(C)CCc2ccccc2)nc1 ZINC000156211320 326223005 /nfs/dbraw/zinc/22/30/05/326223005.db2.gz OJAOEBQVBQQYPQ-UHFFFAOYSA-N 0 3 240.350 3.065 20 0 BGADHN CC(=O)CCN(Cc1ccc(C)c(C)c1)C1CC1 ZINC000156234380 641600286 /nfs/dbraw/zinc/60/02/86/641600286.db2.gz TUGJXXPLANOWEX-UHFFFAOYSA-N 0 3 245.366 3.247 20 0 BGADHN CC(=O)CCN(Cc1ccoc1)C1CCCCC1 ZINC000156251773 385445199 /nfs/dbraw/zinc/44/51/99/385445199.db2.gz JVTBBUWGCRSJTE-UHFFFAOYSA-N 0 3 249.354 3.393 20 0 BGADHN Cc1nc(C)c([C@@H](C)N(C)CC2CC2)s1 ZINC000156291044 385445209 /nfs/dbraw/zinc/44/52/09/385445209.db2.gz CVVBEWMGYSROPC-SECBINFHSA-N 0 3 224.373 3.163 20 0 BGADHN Cc1nc(C)c([C@H](C)N(C)CC2CC2)s1 ZINC000156291164 385444123 /nfs/dbraw/zinc/44/41/23/385444123.db2.gz CVVBEWMGYSROPC-VIFPVBQESA-N 0 3 224.373 3.163 20 0 BGADHN C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1CC1CC1 ZINC000156337492 640436933 /nfs/dbraw/zinc/43/69/33/640436933.db2.gz VCAGKROMZSIQMG-WWGRRREGSA-N 0 3 245.366 3.247 20 0 BGADHN C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)N1CC1CC1 ZINC000156337702 640436912 /nfs/dbraw/zinc/43/69/12/640436912.db2.gz VCAGKROMZSIQMG-DVOMOZLQSA-N 0 3 245.366 3.247 20 0 BGADHN CC[C@@H]1CCCCN1Cc1cccc(F)c1N ZINC000156339565 385036792 /nfs/dbraw/zinc/03/67/92/385036792.db2.gz KOKNAZGJSBTIRO-GFCCVEGCSA-N 0 3 236.334 3.172 20 0 BGADHN CC[C@H]1CCCCN1Cc1cccc(F)c1N ZINC000156339692 385446939 /nfs/dbraw/zinc/44/69/39/385446939.db2.gz KOKNAZGJSBTIRO-LBPRGKRZSA-N 0 3 236.334 3.172 20 0 BGADHN CC[C@@H]1CCCN(Cc2cccc(F)c2N)C1 ZINC000156345142 385036856 /nfs/dbraw/zinc/03/68/56/385036856.db2.gz RFRXSXLFROBTAX-LLVKDONJSA-N 0 3 236.334 3.030 20 0 BGADHN CC[C@H]1CCCN(Cc2cccc(F)c2N)C1 ZINC000156345262 385446775 /nfs/dbraw/zinc/44/67/75/385446775.db2.gz RFRXSXLFROBTAX-NSHDSACASA-N 0 3 236.334 3.030 20 0 BGADHN CCC1CCN(Cc2cccc(F)c2N)CC1 ZINC000156354332 385446747 /nfs/dbraw/zinc/44/67/47/385446747.db2.gz CISUUWXBNWWTHH-UHFFFAOYSA-N 0 3 236.334 3.030 20 0 BGADHN CCCCN(Cc1cccc(F)c1N)C1CC1 ZINC000156357788 385032505 /nfs/dbraw/zinc/03/25/05/385032505.db2.gz UXSRIPZAXYUDKK-UHFFFAOYSA-N 0 3 236.334 3.172 20 0 BGADHN C[C@@H]1CCCN(Cc2cccc(F)c2N)[C@@H]1C ZINC000156374039 385448327 /nfs/dbraw/zinc/44/83/27/385448327.db2.gz CTUAJIXISDFVNS-GHMZBOCLSA-N 0 3 236.334 3.028 20 0 BGADHN C[C@@H]1[C@@H](C)CCCN1Cc1cccc(F)c1N ZINC000156374169 385041558 /nfs/dbraw/zinc/04/15/58/385041558.db2.gz CTUAJIXISDFVNS-WDEREUQCSA-N 0 3 236.334 3.028 20 0 BGADHN C[C@@H]1CCN(Cc2cccc(F)c2N)[C@H](C)C1 ZINC000156375114 385449611 /nfs/dbraw/zinc/44/96/11/385449611.db2.gz LBYQFJIFIPFPEX-GHMZBOCLSA-N 0 3 236.334 3.028 20 0 BGADHN CC1(C)CCN(Cc2cccc(F)c2N)CC1 ZINC000156378191 385449266 /nfs/dbraw/zinc/44/92/66/385449266.db2.gz OEKZPQQULWDMCV-UHFFFAOYSA-N 0 3 236.334 3.030 20 0 BGADHN CC[C@@H](C)[C@@H](C)N[C@@H](COC)c1ccc(C)o1 ZINC000156378414 385449233 /nfs/dbraw/zinc/44/92/33/385449233.db2.gz BGGANEDGOAKJBG-RTXFEEFZSA-N 0 3 239.359 3.300 20 0 BGADHN CC[C@H](C)[C@@H](C)N[C@@H](COC)c1ccc(C)o1 ZINC000156378518 171366563 /nfs/dbraw/zinc/36/65/63/171366563.db2.gz BGGANEDGOAKJBG-UHTWSYAYSA-N 0 3 239.359 3.300 20 0 BGADHN CC[C@@H](C)[C@H](C)N[C@@H](COC)c1ccc(C)o1 ZINC000156378636 385449799 /nfs/dbraw/zinc/44/97/99/385449799.db2.gz BGGANEDGOAKJBG-WXHSDQCUSA-N 0 3 239.359 3.300 20 0 BGADHN CC[C@H](C)[C@H](C)N[C@@H](COC)c1ccc(C)o1 ZINC000156378761 171390479 /nfs/dbraw/zinc/39/04/79/171390479.db2.gz BGGANEDGOAKJBG-DRZSPHRISA-N 0 3 239.359 3.300 20 0 BGADHN C[C@@H]1CCCN(Cc2cccc(F)c2N)CC1 ZINC000156385308 385040971 /nfs/dbraw/zinc/04/09/71/385040971.db2.gz MDXZFRUOXBIHBS-LLVKDONJSA-N 0 3 236.334 3.030 20 0 BGADHN C[C@H]1CCCN(Cc2cccc(F)c2N)CC1 ZINC000156385434 385448424 /nfs/dbraw/zinc/44/84/24/385448424.db2.gz MDXZFRUOXBIHBS-NSHDSACASA-N 0 3 236.334 3.030 20 0 BGADHN COC[C@@H](N[C@@H]1CCC[C@@H]1C)c1ccc(C)o1 ZINC000156387792 385449824 /nfs/dbraw/zinc/44/98/24/385449824.db2.gz QBHFXJROOAHLQL-CYZMBNFOSA-N 0 3 237.343 3.054 20 0 BGADHN COC[C@H](N[C@@H]1CCC[C@@H]1C)c1ccc(C)o1 ZINC000156387908 385449565 /nfs/dbraw/zinc/44/95/65/385449565.db2.gz QBHFXJROOAHLQL-UHTWSYAYSA-N 0 3 237.343 3.054 20 0 BGADHN COC[C@@H](N[C@H]1CCC[C@@H]1C)c1ccc(C)o1 ZINC000156388028 385448515 /nfs/dbraw/zinc/44/85/15/385448515.db2.gz QBHFXJROOAHLQL-WCFLWFBJSA-N 0 3 237.343 3.054 20 0 BGADHN COC[C@H](N[C@H]1CCC[C@@H]1C)c1ccc(C)o1 ZINC000156388146 385449573 /nfs/dbraw/zinc/44/95/73/385449573.db2.gz QBHFXJROOAHLQL-DRZSPHRISA-N 0 3 237.343 3.054 20 0 BGADHN CC1(C)CCCN(Cc2cccc(F)c2N)C1 ZINC000156388687 385448649 /nfs/dbraw/zinc/44/86/49/385448649.db2.gz ZEFSCDQAFBOLQT-UHFFFAOYSA-N 0 3 236.334 3.030 20 0 BGADHN Cc1ccc(CN2CCC[C@H](C)CC2)nc1 ZINC000156391533 345156495 /nfs/dbraw/zinc/15/64/95/345156495.db2.gz JMVYZRHTGIBSPX-LBPRGKRZSA-N 0 3 218.344 3.012 20 0 BGADHN Cc1ccc(CN2CCC[C@@H](C)CC2)nc1 ZINC000156391661 345156829 /nfs/dbraw/zinc/15/68/29/345156829.db2.gz JMVYZRHTGIBSPX-GFCCVEGCSA-N 0 3 218.344 3.012 20 0 BGADHN C[C@@H]1CC[C@H](C)N(Cc2cccc(F)c2N)C1 ZINC000156394767 385044878 /nfs/dbraw/zinc/04/48/78/385044878.db2.gz OZMKDVBEIWFOAK-MNOVXSKESA-N 0 3 236.334 3.028 20 0 BGADHN C[C@H]1CC[C@H](C)N(Cc2cccc(F)c2N)C1 ZINC000156394894 385044308 /nfs/dbraw/zinc/04/43/08/385044308.db2.gz OZMKDVBEIWFOAK-QWRGUYRKSA-N 0 3 236.334 3.028 20 0 BGADHN C[C@@H]1CC[C@@H](C)N(Cc2cccc(F)c2N)C1 ZINC000156395005 397759160 /nfs/dbraw/zinc/75/91/60/397759160.db2.gz OZMKDVBEIWFOAK-GHMZBOCLSA-N 0 3 236.334 3.028 20 0 BGADHN C[C@@H]1CC[C@H](C)CN1Cc1cccc(F)c1N ZINC000156395132 385043132 /nfs/dbraw/zinc/04/31/32/385043132.db2.gz OZMKDVBEIWFOAK-WDEREUQCSA-N 0 3 236.334 3.028 20 0 BGADHN CC(C)N(Cc1ccn(C)c1)Cc1ccccc1 ZINC000156405656 326231872 /nfs/dbraw/zinc/23/18/72/326231872.db2.gz SBRDHHCJRVLNIV-UHFFFAOYSA-N 0 3 242.366 3.436 20 0 BGADHN COC[C@@H](N[C@@H](C)CC(C)C)c1ccc(C)o1 ZINC000156425335 174486477 /nfs/dbraw/zinc/48/64/77/174486477.db2.gz FXRLZVVQTKUONZ-WCQYABFASA-N 0 3 239.359 3.300 20 0 BGADHN COC[C@H](N[C@@H](C)CC(C)C)c1ccc(C)o1 ZINC000156425464 385451079 /nfs/dbraw/zinc/45/10/79/385451079.db2.gz FXRLZVVQTKUONZ-AAEUAGOBSA-N 0 3 239.359 3.300 20 0 BGADHN COC[C@@H](N[C@H](C)CC(C)C)c1ccc(C)o1 ZINC000156425583 385450937 /nfs/dbraw/zinc/45/09/37/385450937.db2.gz FXRLZVVQTKUONZ-DGCLKSJQSA-N 0 3 239.359 3.300 20 0 BGADHN COC[C@H](N[C@H](C)CC(C)C)c1ccc(C)o1 ZINC000156425718 174585398 /nfs/dbraw/zinc/58/53/98/174585398.db2.gz FXRLZVVQTKUONZ-YPMHNXCESA-N 0 3 239.359 3.300 20 0 BGADHN c1csc(C2=CCN(CC3CC3)CC2)c1 ZINC000156447522 345164635 /nfs/dbraw/zinc/16/46/35/345164635.db2.gz CVNHCDHAWAKTBH-UHFFFAOYSA-N 0 3 219.353 3.247 20 0 BGADHN CCCC[C@@H](C)N[C@@H](COC)c1ccc(C)o1 ZINC000156450439 326233500 /nfs/dbraw/zinc/23/35/00/326233500.db2.gz WWWJLOGGRVOESO-YPMHNXCESA-N 0 3 239.359 3.444 20 0 BGADHN CCCC[C@H](C)N[C@@H](COC)c1ccc(C)o1 ZINC000156450561 326233144 /nfs/dbraw/zinc/23/31/44/326233144.db2.gz WWWJLOGGRVOESO-AAEUAGOBSA-N 0 3 239.359 3.444 20 0 BGADHN CCCC[C@@H](C)N[C@H](COC)c1ccc(C)o1 ZINC000156450687 326233269 /nfs/dbraw/zinc/23/32/69/326233269.db2.gz WWWJLOGGRVOESO-DGCLKSJQSA-N 0 3 239.359 3.444 20 0 BGADHN CCCC[C@H](C)N[C@H](COC)c1ccc(C)o1 ZINC000156450795 326233583 /nfs/dbraw/zinc/23/35/83/326233583.db2.gz WWWJLOGGRVOESO-WCQYABFASA-N 0 3 239.359 3.444 20 0 BGADHN COC[C@@H](N[C@@H]1CC[C@H](C)C1)c1ccc(C)o1 ZINC000156454156 385452815 /nfs/dbraw/zinc/45/28/15/385452815.db2.gz QWHKYNZVNXMVTL-CYZMBNFOSA-N 0 3 237.343 3.054 20 0 BGADHN COC[C@H](N[C@@H]1CC[C@H](C)C1)c1ccc(C)o1 ZINC000156454274 385452912 /nfs/dbraw/zinc/45/29/12/385452912.db2.gz QWHKYNZVNXMVTL-UHTWSYAYSA-N 0 3 237.343 3.054 20 0 BGADHN COC[C@@H](N[C@H]1CC[C@H](C)C1)c1ccc(C)o1 ZINC000156454408 385453127 /nfs/dbraw/zinc/45/31/27/385453127.db2.gz QWHKYNZVNXMVTL-WCFLWFBJSA-N 0 3 237.343 3.054 20 0 BGADHN COC[C@H](N[C@H]1CC[C@H](C)C1)c1ccc(C)o1 ZINC000156454516 385453120 /nfs/dbraw/zinc/45/31/20/385453120.db2.gz QWHKYNZVNXMVTL-DRZSPHRISA-N 0 3 237.343 3.054 20 0 BGADHN CCc1ccc([C@@H](C)NC[C@@H]2CCCCO2)o1 ZINC000156457977 385452378 /nfs/dbraw/zinc/45/23/78/385452378.db2.gz TWVMBJAYWGLBPY-YPMHNXCESA-N 0 3 237.343 3.062 20 0 BGADHN CCc1ccc([C@H](C)NC[C@@H]2CCCCO2)o1 ZINC000156458097 385453010 /nfs/dbraw/zinc/45/30/10/385453010.db2.gz TWVMBJAYWGLBPY-AAEUAGOBSA-N 0 3 237.343 3.062 20 0 BGADHN CCc1ccc([C@@H](C)NC[C@H]2CCCCO2)o1 ZINC000156458217 171831203 /nfs/dbraw/zinc/83/12/03/171831203.db2.gz TWVMBJAYWGLBPY-DGCLKSJQSA-N 0 3 237.343 3.062 20 0 BGADHN CCc1ccc([C@H](C)NC[C@H]2CCCCO2)o1 ZINC000156458356 385452266 /nfs/dbraw/zinc/45/22/66/385452266.db2.gz TWVMBJAYWGLBPY-WCQYABFASA-N 0 3 237.343 3.062 20 0 BGADHN COC[C@@H](N[C@@H](C)CC1CC1)c1ccc(C)o1 ZINC000156464473 385452905 /nfs/dbraw/zinc/45/29/05/385452905.db2.gz WHQKKJKPPXQUAH-GXFFZTMASA-N 0 3 237.343 3.054 20 0 BGADHN COC[C@H](N[C@@H](C)CC1CC1)c1ccc(C)o1 ZINC000156464601 385453615 /nfs/dbraw/zinc/45/36/15/385453615.db2.gz WHQKKJKPPXQUAH-GWCFXTLKSA-N 0 3 237.343 3.054 20 0 BGADHN COC[C@@H](N[C@H](C)CC1CC1)c1ccc(C)o1 ZINC000156464737 385452940 /nfs/dbraw/zinc/45/29/40/385452940.db2.gz WHQKKJKPPXQUAH-ZWNOBZJWSA-N 0 3 237.343 3.054 20 0 BGADHN COC[C@H](N[C@H](C)CC1CC1)c1ccc(C)o1 ZINC000156464852 385452246 /nfs/dbraw/zinc/45/22/46/385452246.db2.gz WHQKKJKPPXQUAH-MFKMUULPSA-N 0 3 237.343 3.054 20 0 BGADHN CCc1nc(CN[C@H](C(C)C)C2CC2)cs1 ZINC000156475164 326233454 /nfs/dbraw/zinc/23/34/54/326233454.db2.gz XODFCXYNTTXSFB-CYBMUJFWSA-N 0 3 238.400 3.230 20 0 BGADHN CCc1nc(CN[C@@H](C(C)C)C2CC2)cs1 ZINC000156475306 326233316 /nfs/dbraw/zinc/23/33/16/326233316.db2.gz XODFCXYNTTXSFB-ZDUSSCGKSA-N 0 3 238.400 3.230 20 0 BGADHN Clc1cccc2c1CCN(CC1CC1)C2 ZINC000156492245 134720428 /nfs/dbraw/zinc/72/04/28/134720428.db2.gz AIESXRUXTFVYNW-UHFFFAOYSA-N 0 3 221.731 3.108 20 0 BGADHN CCc1nc(C)c([C@@H](C)N(C)CC2CC2)s1 ZINC000156505015 387987836 /nfs/dbraw/zinc/98/78/36/387987836.db2.gz LNGSKPYZSJJMNC-SNVBAGLBSA-N 0 3 238.400 3.417 20 0 BGADHN CCc1nc(C)c([C@H](C)N(C)CC2CC2)s1 ZINC000156505131 387987091 /nfs/dbraw/zinc/98/70/91/387987091.db2.gz LNGSKPYZSJJMNC-JTQLQIEISA-N 0 3 238.400 3.417 20 0 BGADHN CC[C@H](N[C@@H](COC)c1ccc(C)o1)C1CC1 ZINC000156512724 385457190 /nfs/dbraw/zinc/45/71/90/385457190.db2.gz BZJKVKLNGBOUOP-STQMWFEESA-N 0 3 237.343 3.054 20 0 BGADHN CC[C@@H](N[C@@H](COC)c1ccc(C)o1)C1CC1 ZINC000156512850 385456419 /nfs/dbraw/zinc/45/64/19/385456419.db2.gz BZJKVKLNGBOUOP-OLZOCXBDSA-N 0 3 237.343 3.054 20 0 BGADHN CC[C@H](N[C@H](COC)c1ccc(C)o1)C1CC1 ZINC000156512994 385456605 /nfs/dbraw/zinc/45/66/05/385456605.db2.gz BZJKVKLNGBOUOP-QWHCGFSZSA-N 0 3 237.343 3.054 20 0 BGADHN CC[C@@H](N[C@H](COC)c1ccc(C)o1)C1CC1 ZINC000156513111 385457264 /nfs/dbraw/zinc/45/72/64/385457264.db2.gz BZJKVKLNGBOUOP-CHWSQXEVSA-N 0 3 237.343 3.054 20 0 BGADHN COC[C@@H](NC1CCCCC1)c1ccc(C)o1 ZINC000156516184 385457063 /nfs/dbraw/zinc/45/70/63/385457063.db2.gz KZUDUMSYZMTLEU-CYBMUJFWSA-N 0 3 237.343 3.198 20 0 BGADHN COC[C@H](NC1CCCCC1)c1ccc(C)o1 ZINC000156516270 385457206 /nfs/dbraw/zinc/45/72/06/385457206.db2.gz KZUDUMSYZMTLEU-ZDUSSCGKSA-N 0 3 237.343 3.198 20 0 BGADHN Cc1ccoc1CNc1cccc(CN(C)C)c1 ZINC000156519305 386458696 /nfs/dbraw/zinc/45/86/96/386458696.db2.gz MDDGNQHGDUBYLN-UHFFFAOYSA-N 0 3 244.338 3.262 20 0 BGADHN Cc1ccccc1[C@@H]1CN(CC2CC2)[C@H](C)CO1 ZINC000156523733 345171640 /nfs/dbraw/zinc/17/16/40/345171640.db2.gz VNAWNMKSJFMJCB-CJNGLKHVSA-N 0 3 245.366 3.167 20 0 BGADHN Cc1ccccc1[C@H]1CN(CC2CC2)[C@H](C)CO1 ZINC000156523856 345171803 /nfs/dbraw/zinc/17/18/03/345171803.db2.gz VNAWNMKSJFMJCB-CZUORRHYSA-N 0 3 245.366 3.167 20 0 BGADHN CCN(Cn1ncc(Cl)c1C)C1CCCC1 ZINC000156529082 640465154 /nfs/dbraw/zinc/46/51/54/640465154.db2.gz IJSKNKUWPIDUTB-UHFFFAOYSA-N 0 3 241.766 3.067 20 0 BGADHN COC[C@H](NC1CCCCCC1)c1ccco1 ZINC000156536276 174578456 /nfs/dbraw/zinc/57/84/56/174578456.db2.gz KOYIIFCAHMLCKQ-ZDUSSCGKSA-N 0 3 237.343 3.280 20 0 BGADHN COC[C@@H](NC1CCCCCC1)c1ccco1 ZINC000156536385 385456056 /nfs/dbraw/zinc/45/60/56/385456056.db2.gz KOYIIFCAHMLCKQ-CYBMUJFWSA-N 0 3 237.343 3.280 20 0 BGADHN C[C@@H](CC(F)(F)F)NCc1cccs1 ZINC000156536866 387996820 /nfs/dbraw/zinc/99/68/20/387996820.db2.gz RSYIZBVDUMGRBR-ZETCQYMHSA-N 0 3 223.263 3.179 20 0 BGADHN C[C@H](CC(F)(F)F)NCc1cccs1 ZINC000156536987 323004929 /nfs/dbraw/zinc/00/49/29/323004929.db2.gz RSYIZBVDUMGRBR-SSDOTTSWSA-N 0 3 223.263 3.179 20 0 BGADHN CCN(Cn1ncc(Cl)c1C)[C@@H](C)C(C)C ZINC000156562877 640467480 /nfs/dbraw/zinc/46/74/80/640467480.db2.gz PFPAUDCUKYMYKM-JTQLQIEISA-N 0 3 243.782 3.169 20 0 BGADHN CCN(Cn1ncc(Cl)c1C)[C@H](C)C(C)C ZINC000156563010 640467079 /nfs/dbraw/zinc/46/70/79/640467079.db2.gz PFPAUDCUKYMYKM-SNVBAGLBSA-N 0 3 243.782 3.169 20 0 BGADHN Cc1ccc([C@@H]2CSCCN2CC2CC2)o1 ZINC000156588741 345179340 /nfs/dbraw/zinc/17/93/40/345179340.db2.gz SHWXNEBWOFCRCH-LBPRGKRZSA-N 0 3 237.368 3.088 20 0 BGADHN Cc1ccc([C@H]2CSCCN2CC2CC2)o1 ZINC000156588854 345178879 /nfs/dbraw/zinc/17/88/79/345178879.db2.gz SHWXNEBWOFCRCH-GFCCVEGCSA-N 0 3 237.368 3.088 20 0 BGADHN COC[C@H](NC1CCC(C)CC1)c1ccco1 ZINC000156610034 385461120 /nfs/dbraw/zinc/46/11/20/385461120.db2.gz GUPZFDWEVKPBHA-BPCQOVAHSA-N 0 3 237.343 3.135 20 0 BGADHN COC[C@@H](NC1CCC(C)CC1)c1ccco1 ZINC000156610165 385461215 /nfs/dbraw/zinc/46/12/15/385461215.db2.gz GUPZFDWEVKPBHA-WXRRBKDZSA-N 0 3 237.343 3.135 20 0 BGADHN CN(Cc1cc(F)cc(F)c1)CC1CCC1 ZINC000156625673 326237649 /nfs/dbraw/zinc/23/76/49/326237649.db2.gz GIMOZNDERSINER-UHFFFAOYSA-N 0 3 225.282 3.197 20 0 BGADHN CC[N@@H+](CC1CC1)[C@@H](C)c1cccc([O-])c1 ZINC000156647602 385462251 /nfs/dbraw/zinc/46/22/51/385462251.db2.gz WOQNCFOFFULOIQ-NSHDSACASA-N 0 3 219.328 3.185 20 0 BGADHN CC[N@H+](CC1CC1)[C@@H](C)c1cccc([O-])c1 ZINC000156647602 385462245 /nfs/dbraw/zinc/46/22/45/385462245.db2.gz WOQNCFOFFULOIQ-NSHDSACASA-N 0 3 219.328 3.185 20 0 BGADHN CC[N@@H+](CC1CC1)[C@H](C)c1cccc([O-])c1 ZINC000156647740 385462924 /nfs/dbraw/zinc/46/29/24/385462924.db2.gz WOQNCFOFFULOIQ-LLVKDONJSA-N 0 3 219.328 3.185 20 0 BGADHN CC[N@H+](CC1CC1)[C@H](C)c1cccc([O-])c1 ZINC000156647740 385462922 /nfs/dbraw/zinc/46/29/22/385462922.db2.gz WOQNCFOFFULOIQ-LLVKDONJSA-N 0 3 219.328 3.185 20 0 BGADHN COC[C@H](N[C@H](C)CCC(C)C)c1ccco1 ZINC000156660364 385464121 /nfs/dbraw/zinc/46/41/21/385464121.db2.gz BUNVDPMLZOVIJV-OLZOCXBDSA-N 0 3 239.359 3.381 20 0 BGADHN COC[C@H](N[C@@H](C)CCC(C)C)c1ccco1 ZINC000156660499 385464009 /nfs/dbraw/zinc/46/40/09/385464009.db2.gz BUNVDPMLZOVIJV-STQMWFEESA-N 0 3 239.359 3.381 20 0 BGADHN COC[C@@H](N[C@H](C)CCC(C)C)c1ccco1 ZINC000156660604 385463330 /nfs/dbraw/zinc/46/33/30/385463330.db2.gz BUNVDPMLZOVIJV-CHWSQXEVSA-N 0 3 239.359 3.381 20 0 BGADHN COC[C@@H](N[C@@H](C)CCC(C)C)c1ccco1 ZINC000156660716 385463537 /nfs/dbraw/zinc/46/35/37/385463537.db2.gz BUNVDPMLZOVIJV-QWHCGFSZSA-N 0 3 239.359 3.381 20 0 BGADHN CCCN1CCC(c2nc(C)cs2)CC1 ZINC000156665862 384921165 /nfs/dbraw/zinc/92/11/65/384921165.db2.gz RUEHIZPBCDNGAD-UHFFFAOYSA-N 0 3 224.373 3.041 20 0 BGADHN COC[C@H](N[C@H]1CCC[C@@H](C)C1)c1ccco1 ZINC000156689167 385463813 /nfs/dbraw/zinc/46/38/13/385463813.db2.gz XQDRBQNQIFXOJD-AGIUHOORSA-N 0 3 237.343 3.135 20 0 BGADHN COC[C@H](N[C@H]1CCC[C@H](C)C1)c1ccco1 ZINC000156689304 385463513 /nfs/dbraw/zinc/46/35/13/385463513.db2.gz XQDRBQNQIFXOJD-AVGNSLFASA-N 0 3 237.343 3.135 20 0 BGADHN COC[C@H](N[C@@H]1CCC[C@@H](C)C1)c1ccco1 ZINC000156689436 385464799 /nfs/dbraw/zinc/46/47/99/385464799.db2.gz XQDRBQNQIFXOJD-UPJWGTAASA-N 0 3 237.343 3.135 20 0 BGADHN COC[C@H](N[C@@H]1CCC[C@H](C)C1)c1ccco1 ZINC000156689569 385464000 /nfs/dbraw/zinc/46/40/00/385464000.db2.gz XQDRBQNQIFXOJD-XQQFMLRXSA-N 0 3 237.343 3.135 20 0 BGADHN CC[C@H](N[C@@H](C)c1ccncc1)c1ccncc1 ZINC000156691944 385464171 /nfs/dbraw/zinc/46/41/71/385464171.db2.gz CXFTVIRZDVBQTN-WFASDCNBSA-N 0 3 241.338 3.279 20 0 BGADHN CC[C@@H](N[C@@H](C)c1ccncc1)c1ccncc1 ZINC000156692084 346373311 /nfs/dbraw/zinc/37/33/11/346373311.db2.gz CXFTVIRZDVBQTN-SWLSCSKDSA-N 0 3 241.338 3.279 20 0 BGADHN CC[C@H](N[C@H](C)c1ccncc1)c1ccncc1 ZINC000156692210 385463422 /nfs/dbraw/zinc/46/34/22/385463422.db2.gz CXFTVIRZDVBQTN-DOMZBBRYSA-N 0 3 241.338 3.279 20 0 BGADHN CC[C@@H](N[C@H](C)c1ccncc1)c1ccncc1 ZINC000156692333 346373148 /nfs/dbraw/zinc/37/31/48/346373148.db2.gz CXFTVIRZDVBQTN-IUODEOHRSA-N 0 3 241.338 3.279 20 0 BGADHN COC[C@H](N[C@@H](C)C1CCCC1)c1ccco1 ZINC000156702146 385465370 /nfs/dbraw/zinc/46/53/70/385465370.db2.gz RHWDJCJUYKYFMI-AAEUAGOBSA-N 0 3 237.343 3.135 20 0 BGADHN COC[C@H](N[C@H](C)C1CCCC1)c1ccco1 ZINC000156702282 385465292 /nfs/dbraw/zinc/46/52/92/385465292.db2.gz RHWDJCJUYKYFMI-YPMHNXCESA-N 0 3 237.343 3.135 20 0 BGADHN COC[C@@H](N[C@@H](C)C1CCCC1)c1ccco1 ZINC000156702406 385465611 /nfs/dbraw/zinc/46/56/11/385465611.db2.gz RHWDJCJUYKYFMI-WCQYABFASA-N 0 3 237.343 3.135 20 0 BGADHN COC[C@@H](N[C@H](C)C1CCCC1)c1ccco1 ZINC000156702544 385465861 /nfs/dbraw/zinc/46/58/61/385465861.db2.gz RHWDJCJUYKYFMI-DGCLKSJQSA-N 0 3 237.343 3.135 20 0 BGADHN CCC(C)(C)[C@@H]1CCCN1Cc1ccon1 ZINC000156720830 384945643 /nfs/dbraw/zinc/94/56/43/384945643.db2.gz SCFWJXWYQVSOBR-LBPRGKRZSA-N 0 3 222.332 3.075 20 0 BGADHN CCC(C)(C)[C@H]1CCCN1Cc1ccon1 ZINC000156720974 384944885 /nfs/dbraw/zinc/94/48/85/384944885.db2.gz SCFWJXWYQVSOBR-GFCCVEGCSA-N 0 3 222.332 3.075 20 0 BGADHN CCC(C)(C)[C@@H]1CCCN1Cc1cc(C)on1 ZINC000156726401 326240648 /nfs/dbraw/zinc/24/06/48/326240648.db2.gz GPMGOQWMOAEETM-ZDUSSCGKSA-N 0 3 236.359 3.384 20 0 BGADHN CCC(C)(C)[C@H]1CCCN1Cc1cc(C)on1 ZINC000156726550 326240731 /nfs/dbraw/zinc/24/07/31/326240731.db2.gz GPMGOQWMOAEETM-CYBMUJFWSA-N 0 3 236.359 3.384 20 0 BGADHN Cc1ccc(CN(C)[C@@H](C)C2(C)CC2)nc1 ZINC000156728643 384937021 /nfs/dbraw/zinc/93/70/21/384937021.db2.gz FRWIANSDMNLIPU-LBPRGKRZSA-N 0 3 218.344 3.010 20 0 BGADHN Cc1ccc(CN(C)[C@H](C)C2(C)CC2)nc1 ZINC000156728784 384938317 /nfs/dbraw/zinc/93/83/17/384938317.db2.gz FRWIANSDMNLIPU-GFCCVEGCSA-N 0 3 218.344 3.010 20 0 BGADHN CCC(C)(C)[C@@H]1CCCN1Cc1ncc(C)o1 ZINC000156751511 326241374 /nfs/dbraw/zinc/24/13/74/326241374.db2.gz SELXWCXJRJDQCR-LBPRGKRZSA-N 0 3 236.359 3.384 20 0 BGADHN CC[C@@H](C)CN(CC)Cn1ncc(Cl)c1C ZINC000156751632 640497176 /nfs/dbraw/zinc/49/71/76/640497176.db2.gz XADCWAYQAPNTAQ-SNVBAGLBSA-N 0 3 243.782 3.170 20 0 BGADHN CCC(C)(C)[C@H]1CCCN1Cc1ncc(C)o1 ZINC000156751665 326241476 /nfs/dbraw/zinc/24/14/76/326241476.db2.gz SELXWCXJRJDQCR-GFCCVEGCSA-N 0 3 236.359 3.384 20 0 BGADHN CC[C@H](C)CN(CC)Cn1ncc(Cl)c1C ZINC000156751772 640497916 /nfs/dbraw/zinc/49/79/16/640497916.db2.gz XADCWAYQAPNTAQ-JTQLQIEISA-N 0 3 243.782 3.170 20 0 BGADHN Cc1cc(C)cc(CN(C)Cc2cccn2C)c1 ZINC000156770949 384953225 /nfs/dbraw/zinc/95/32/25/384953225.db2.gz WDYBUTGAMUTUCH-UHFFFAOYSA-N 0 3 242.366 3.274 20 0 BGADHN CCn1ccnc1CN1CCC[C@H]1C(C)(C)CC ZINC000156790910 384961062 /nfs/dbraw/zinc/96/10/62/384961062.db2.gz HYYOSLDXMWNLHY-ZDUSSCGKSA-N 0 3 249.402 3.304 20 0 BGADHN CCn1ccnc1CN1CCC[C@@H]1C(C)(C)CC ZINC000156791035 384960437 /nfs/dbraw/zinc/96/04/37/384960437.db2.gz HYYOSLDXMWNLHY-CYBMUJFWSA-N 0 3 249.402 3.304 20 0 BGADHN CCC[C@@H]1CCCN(Cc2ccncc2)C1 ZINC000156854858 385470408 /nfs/dbraw/zinc/47/04/08/385470408.db2.gz YVUFJQIJXGVLMD-CYBMUJFWSA-N 0 3 218.344 3.094 20 0 BGADHN CCC[C@H]1CCCN(Cc2ccncc2)C1 ZINC000156854984 385470335 /nfs/dbraw/zinc/47/03/35/385470335.db2.gz YVUFJQIJXGVLMD-ZDUSSCGKSA-N 0 3 218.344 3.094 20 0 BGADHN CCC[C@@H]1CCCN(Cc2ccc(C)cn2)C1 ZINC000156855795 384992103 /nfs/dbraw/zinc/99/21/03/384992103.db2.gz QSLUYEKYMCVYSW-CQSZACIVSA-N 0 3 232.371 3.402 20 0 BGADHN CCC[C@H]1CCCN(Cc2ccc(C)cn2)C1 ZINC000156855954 384992716 /nfs/dbraw/zinc/99/27/16/384992716.db2.gz QSLUYEKYMCVYSW-AWEZNQCLSA-N 0 3 232.371 3.402 20 0 BGADHN Cc1cc(C)nc(NC2CC(OC(C)(C)C)C2)c1 ZINC000156894063 385010663 /nfs/dbraw/zinc/01/06/63/385010663.db2.gz JVPIXOWOQTVUCE-UHFFFAOYSA-N 0 3 248.370 3.456 20 0 BGADHN CCN(CC)Cc1ccc(Cl)c(F)c1 ZINC000156905318 388054872 /nfs/dbraw/zinc/05/48/72/388054872.db2.gz PORVLYJNJGUFBA-UHFFFAOYSA-N 0 3 215.699 3.321 20 0 BGADHN CCN(CC)Cc1cnc(C(C)C)s1 ZINC000156908744 323067887 /nfs/dbraw/zinc/06/78/87/323067887.db2.gz YHKDMAVMWUTTIE-UHFFFAOYSA-N 0 3 212.362 3.108 20 0 BGADHN CCN(CC)Cc1ccc(OC(F)F)c(F)c1 ZINC000156908894 326248595 /nfs/dbraw/zinc/24/85/95/326248595.db2.gz NWMUCBGZIJHMDD-UHFFFAOYSA-N 0 3 247.260 3.269 20 0 BGADHN CCN(CC)Cc1cn(-c2ccccc2)nc1C ZINC000156910010 385474658 /nfs/dbraw/zinc/47/46/58/385474658.db2.gz RWVMWKXGFYFEOO-UHFFFAOYSA-N 0 3 243.354 3.023 20 0 BGADHN CCN(CC)Cc1ccc(F)c(Cl)c1 ZINC000156915782 388057210 /nfs/dbraw/zinc/05/72/10/388057210.db2.gz GEZULDORAWKRLF-UHFFFAOYSA-N 0 3 215.699 3.321 20 0 BGADHN Cc1ccc(C)c(CN(C)Cc2cccn2C)c1 ZINC000156922272 490521936 /nfs/dbraw/zinc/52/19/36/490521936.db2.gz DXKWOPMKONDGPL-UHFFFAOYSA-N 0 3 242.366 3.274 20 0 BGADHN CC(C)C[C@@H]1CCCN(Cc2ccncc2)C1 ZINC000156922542 490522404 /nfs/dbraw/zinc/52/24/04/490522404.db2.gz NMZLGGBTRXKQML-HNNXBMFYSA-N 0 3 232.371 3.340 20 0 BGADHN CC(C)C[C@H]1CCCN(Cc2ccncc2)C1 ZINC000156922697 490521960 /nfs/dbraw/zinc/52/19/60/490521960.db2.gz NMZLGGBTRXKQML-OAHLLOKOSA-N 0 3 232.371 3.340 20 0 BGADHN CCN(CC)Cc1cnc(C)n1-c1ccccc1 ZINC000156923378 385473630 /nfs/dbraw/zinc/47/36/30/385473630.db2.gz DWEXKABMQJSRKS-UHFFFAOYSA-N 0 3 243.354 3.023 20 0 BGADHN CCN(CC)Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000156926319 323067858 /nfs/dbraw/zinc/06/78/58/323067858.db2.gz KAYPEWFSNBBLGL-CMPLNLGQSA-N 0 3 207.317 3.245 20 0 BGADHN CCN(CC)Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000156926458 326249298 /nfs/dbraw/zinc/24/92/98/326249298.db2.gz KAYPEWFSNBBLGL-JQWIXIFHSA-N 0 3 207.317 3.245 20 0 BGADHN CCN(CC)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000156926600 326249357 /nfs/dbraw/zinc/24/93/57/326249357.db2.gz KAYPEWFSNBBLGL-ZYHUDNBSSA-N 0 3 207.317 3.245 20 0 BGADHN CCN(CC)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000156926741 326249483 /nfs/dbraw/zinc/24/94/83/326249483.db2.gz KAYPEWFSNBBLGL-PWSUYJOCSA-N 0 3 207.317 3.245 20 0 BGADHN CCN(CC)Cc1ccccc1OCC1CC1 ZINC000156932786 326249785 /nfs/dbraw/zinc/24/97/85/326249785.db2.gz UDORPHZOERGPPN-UHFFFAOYSA-N 0 3 233.355 3.317 20 0 BGADHN CCN(CC)Cc1cnc(C(C)(C)C)s1 ZINC000156932950 326249747 /nfs/dbraw/zinc/24/97/47/326249747.db2.gz XHUJCAQNKIRIMI-UHFFFAOYSA-N 0 3 226.389 3.282 20 0 BGADHN CCN(CC)Cc1cnc(C2CCC2)s1 ZINC000156939357 326249796 /nfs/dbraw/zinc/24/97/96/326249796.db2.gz NORHWSZPNNXBSV-UHFFFAOYSA-N 0 3 224.373 3.252 20 0 BGADHN Cc1cccc(C)c1CN(C)Cc1cccn1C ZINC000156939914 326249941 /nfs/dbraw/zinc/24/99/41/326249941.db2.gz NSAMWJYVHHGUKT-UHFFFAOYSA-N 0 3 242.366 3.274 20 0 BGADHN CCN(CC)Cc1cnc(-c2ccccn2)s1 ZINC000156944784 326250377 /nfs/dbraw/zinc/25/03/77/326250377.db2.gz TYIMTBHVAMBLSE-UHFFFAOYSA-N 0 3 247.367 3.047 20 0 BGADHN CCN(CC)Cc1cnc(CC(C)C)s1 ZINC000156945837 385475360 /nfs/dbraw/zinc/47/53/60/385475360.db2.gz MWSKMCXAGXOEFM-UHFFFAOYSA-N 0 3 226.389 3.183 20 0 BGADHN CCN(Cc1cncs1)C1CCCCC1 ZINC000156947414 326250296 /nfs/dbraw/zinc/25/02/96/326250296.db2.gz LEHSBLJHGQEGAP-UHFFFAOYSA-N 0 3 224.373 3.298 20 0 BGADHN CCN(Cc1ccnn1CC)C1CCCCC1 ZINC000156950621 326250132 /nfs/dbraw/zinc/25/01/32/326250132.db2.gz UHOBBRTZWLMIPO-UHFFFAOYSA-N 0 3 235.375 3.058 20 0 BGADHN CC(C)[C@@H](C)N(Cc1cncs1)C1CC1 ZINC000156977451 167371129 /nfs/dbraw/zinc/37/11/29/167371129.db2.gz WSBVJKUWUQADCZ-SNVBAGLBSA-N 0 3 224.373 3.152 20 0 BGADHN CC(C)[C@H](C)N(Cc1cncs1)C1CC1 ZINC000156977598 385477456 /nfs/dbraw/zinc/47/74/56/385477456.db2.gz WSBVJKUWUQADCZ-JTQLQIEISA-N 0 3 224.373 3.152 20 0 BGADHN CC(=O)CCN1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000156985441 385479252 /nfs/dbraw/zinc/47/92/52/385479252.db2.gz NMBBQXRAMIFMKX-IAQYHMDHSA-N 0 3 249.329 3.188 20 0 BGADHN CC(=O)CCN1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000156985589 188158615 /nfs/dbraw/zinc/15/86/15/188158615.db2.gz NMBBQXRAMIFMKX-XHDPSFHLSA-N 0 3 249.329 3.188 20 0 BGADHN CC(=O)CCN1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000156985736 188158271 /nfs/dbraw/zinc/15/82/71/188158271.db2.gz NMBBQXRAMIFMKX-ABAIWWIYSA-N 0 3 249.329 3.188 20 0 BGADHN CC(=O)CCN1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000156985878 385479282 /nfs/dbraw/zinc/47/92/82/385479282.db2.gz NMBBQXRAMIFMKX-NHYWBVRUSA-N 0 3 249.329 3.188 20 0 BGADHN Cc1nc(CNCCCC2CC2)sc1C ZINC000156987642 640558790 /nfs/dbraw/zinc/55/87/90/640558790.db2.gz NGCCYZFPZSMVCO-UHFFFAOYSA-N 0 3 224.373 3.040 20 0 BGADHN Clc1cnccc1CNCCCC1CC1 ZINC000157021677 326253287 /nfs/dbraw/zinc/25/32/87/326253287.db2.gz KDZKVZFPTBYGIE-UHFFFAOYSA-N 0 3 224.735 3.015 20 0 BGADHN CCSCC[C@@H](C)N[C@@H](C)c1ccoc1 ZINC000157035063 326253739 /nfs/dbraw/zinc/25/37/39/326253739.db2.gz IIXPGZYBQBRCSY-MNOVXSKESA-N 0 3 227.373 3.462 20 0 BGADHN CCSCC[C@H](C)N[C@@H](C)c1ccoc1 ZINC000157035211 326253724 /nfs/dbraw/zinc/25/37/24/326253724.db2.gz IIXPGZYBQBRCSY-QWRGUYRKSA-N 0 3 227.373 3.462 20 0 BGADHN CCSCC[C@@H](C)N[C@H](C)c1ccoc1 ZINC000157035366 326253514 /nfs/dbraw/zinc/25/35/14/326253514.db2.gz IIXPGZYBQBRCSY-GHMZBOCLSA-N 0 3 227.373 3.462 20 0 BGADHN CCSCC[C@H](C)N[C@H](C)c1ccoc1 ZINC000157035503 326253640 /nfs/dbraw/zinc/25/36/40/326253640.db2.gz IIXPGZYBQBRCSY-WDEREUQCSA-N 0 3 227.373 3.462 20 0 BGADHN CC(=O)CCN1CC[C@@H](C)C[C@H]1c1ccc(C)o1 ZINC000157084993 385485630 /nfs/dbraw/zinc/48/56/30/385485630.db2.gz NVEIYHYUHQGWAW-RISCZKNCSA-N 0 3 249.354 3.340 20 0 BGADHN CC(=O)CCN1CC[C@@H](C)C[C@@H]1c1ccc(C)o1 ZINC000157085135 385486048 /nfs/dbraw/zinc/48/60/48/385486048.db2.gz NVEIYHYUHQGWAW-BXUZGUMPSA-N 0 3 249.354 3.340 20 0 BGADHN CC(=O)CCN1CC[C@H](C)C[C@H]1c1ccc(C)o1 ZINC000157085284 188158841 /nfs/dbraw/zinc/15/88/41/188158841.db2.gz NVEIYHYUHQGWAW-FZMZJTMJSA-N 0 3 249.354 3.340 20 0 BGADHN CC(=O)CCN1CC[C@H](C)C[C@@H]1c1ccc(C)o1 ZINC000157085423 187300549 /nfs/dbraw/zinc/30/05/49/187300549.db2.gz NVEIYHYUHQGWAW-SMDDNHRTSA-N 0 3 249.354 3.340 20 0 BGADHN C[C@H](NCCCC(F)(F)F)c1cncs1 ZINC000157090232 387732709 /nfs/dbraw/zinc/73/27/09/387732709.db2.gz JSVDACVIPKVJCT-ZETCQYMHSA-N 0 3 238.278 3.136 20 0 BGADHN C[C@@H](NCCCC(F)(F)F)c1cncs1 ZINC000157090386 386379509 /nfs/dbraw/zinc/37/95/09/386379509.db2.gz JSVDACVIPKVJCT-SSDOTTSWSA-N 0 3 238.278 3.136 20 0 BGADHN Cc1nc(CN[C@@H](C)C2CCC2)sc1C ZINC000157093039 387732138 /nfs/dbraw/zinc/73/21/38/387732138.db2.gz OITBHAAUMFPZFM-VIFPVBQESA-N 0 3 224.373 3.038 20 0 BGADHN Cc1nc(CN[C@H](C)C2CCC2)sc1C ZINC000157093168 191116266 /nfs/dbraw/zinc/11/62/66/191116266.db2.gz OITBHAAUMFPZFM-SECBINFHSA-N 0 3 224.373 3.038 20 0 BGADHN CC(=O)CCN1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000157094575 385486770 /nfs/dbraw/zinc/48/67/70/385486770.db2.gz LFELBFONXMNORJ-YPMHNXCESA-N 0 3 235.327 3.032 20 0 BGADHN CC(=O)CCN1CC[C@H](C)C[C@H]1c1ccco1 ZINC000157094722 385486153 /nfs/dbraw/zinc/48/61/53/385486153.db2.gz LFELBFONXMNORJ-AAEUAGOBSA-N 0 3 235.327 3.032 20 0 BGADHN Cc1cnc([C@@H](C)N[C@@H](C)CC2CC2)s1 ZINC000157142487 385086361 /nfs/dbraw/zinc/08/63/61/385086361.db2.gz QMGJVWDJHJJFRL-WCBMZHEXSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1cnc([C@H](C)N[C@@H](C)CC2CC2)s1 ZINC000157142653 387747218 /nfs/dbraw/zinc/74/72/18/387747218.db2.gz QMGJVWDJHJJFRL-WPRPVWTQSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1cnc([C@@H](C)N[C@H](C)CC2CC2)s1 ZINC000157142801 387746602 /nfs/dbraw/zinc/74/66/02/387746602.db2.gz QMGJVWDJHJJFRL-PSASIEDQSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1cnc([C@H](C)N[C@H](C)CC2CC2)s1 ZINC000157142943 387746286 /nfs/dbraw/zinc/74/62/86/387746286.db2.gz QMGJVWDJHJJFRL-SCZZXKLOSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1ccccc1CN[C@@H](C)c1cncc(F)c1 ZINC000157151229 179283585 /nfs/dbraw/zinc/28/35/85/179283585.db2.gz HBHLPHINSZLLLH-LBPRGKRZSA-N 0 3 244.313 3.380 20 0 BGADHN Cc1ccccc1CN[C@H](C)c1cncc(F)c1 ZINC000157151368 179284276 /nfs/dbraw/zinc/28/42/76/179284276.db2.gz HBHLPHINSZLLLH-GFCCVEGCSA-N 0 3 244.313 3.380 20 0 BGADHN Cc1ccc(CN(C)CC2CCCC2)nc1 ZINC000157151711 345246937 /nfs/dbraw/zinc/24/69/37/345246937.db2.gz MBGAVHHOVIJXEI-UHFFFAOYSA-N 0 3 218.344 3.012 20 0 BGADHN Cc1ccccc1CN[C@@H](C)CC(F)(F)F ZINC000157161173 387755848 /nfs/dbraw/zinc/75/58/48/387755848.db2.gz NEJOCMQSXLHSMS-JTQLQIEISA-N 0 3 231.261 3.426 20 0 BGADHN Cc1ccccc1CN[C@H](C)CC(F)(F)F ZINC000157161325 191116211 /nfs/dbraw/zinc/11/62/11/191116211.db2.gz NEJOCMQSXLHSMS-SNVBAGLBSA-N 0 3 231.261 3.426 20 0 BGADHN C[C@@H](Cc1ccsc1)N(C)Cc1ccncc1 ZINC000157162284 326259235 /nfs/dbraw/zinc/25/92/35/326259235.db2.gz RHMZVQQOKRCTNC-LBPRGKRZSA-N 0 3 246.379 3.206 20 0 BGADHN C[C@H](Cc1ccsc1)N(C)Cc1ccncc1 ZINC000157162447 326259049 /nfs/dbraw/zinc/25/90/49/326259049.db2.gz RHMZVQQOKRCTNC-GFCCVEGCSA-N 0 3 246.379 3.206 20 0 BGADHN CC[C@@H]1CCCCN1Cc1cnc2ccccn12 ZINC000157315714 326267408 /nfs/dbraw/zinc/26/74/08/326267408.db2.gz IVJJKJJIMUCXOK-CYBMUJFWSA-N 0 3 243.354 3.099 20 0 BGADHN CC[C@H]1CCCCN1Cc1cnc2ccccn12 ZINC000157315865 326267479 /nfs/dbraw/zinc/26/74/79/326267479.db2.gz IVJJKJJIMUCXOK-ZDUSSCGKSA-N 0 3 243.354 3.099 20 0 BGADHN CN(Cc1cnc2ccccn12)C1CCCCC1 ZINC000157317662 326267570 /nfs/dbraw/zinc/26/75/70/326267570.db2.gz PQPOZRNETPFGMR-UHFFFAOYSA-N 0 3 243.354 3.099 20 0 BGADHN CC[C@@H]1CCCCCN1Cc1cc(OC)ccn1 ZINC000157336624 398339967 /nfs/dbraw/zinc/33/99/67/398339967.db2.gz GVEGZAPJEWGMDV-CQSZACIVSA-N 0 3 248.370 3.245 20 0 BGADHN CC[C@H]1CCCCCN1Cc1cc(OC)ccn1 ZINC000157336752 398340083 /nfs/dbraw/zinc/34/00/83/398340083.db2.gz GVEGZAPJEWGMDV-AWEZNQCLSA-N 0 3 248.370 3.245 20 0 BGADHN CCN1CCC(Oc2ccccc2Cl)CC1 ZINC000157354855 398340186 /nfs/dbraw/zinc/34/01/86/398340186.db2.gz ONJKTAAIIGNHDY-UHFFFAOYSA-N 0 3 239.746 3.203 20 0 BGADHN CCCn1nc(C)c(CN2CCCCCC2)c1C ZINC000157367582 326270760 /nfs/dbraw/zinc/27/07/60/326270760.db2.gz GNWYZOFITNWFGX-UHFFFAOYSA-N 0 3 249.402 3.286 20 0 BGADHN CC[C@H](O)CCN[C@@H](C)c1ccc(Cl)s1 ZINC000157370199 386113510 /nfs/dbraw/zinc/11/35/10/386113510.db2.gz ZHIFVLFSTZSYFE-IUCAKERBSA-N 0 3 247.791 3.213 20 0 BGADHN CC[C@@H](O)CCN[C@@H](C)c1ccc(Cl)s1 ZINC000157370358 353332713 /nfs/dbraw/zinc/33/27/13/353332713.db2.gz ZHIFVLFSTZSYFE-DTWKUNHWSA-N 0 3 247.791 3.213 20 0 BGADHN CC[C@H](O)CCN[C@H](C)c1ccc(Cl)s1 ZINC000157370532 171561670 /nfs/dbraw/zinc/56/16/70/171561670.db2.gz ZHIFVLFSTZSYFE-BDAKNGLRSA-N 0 3 247.791 3.213 20 0 BGADHN CC[C@@H](O)CCN[C@H](C)c1ccc(Cl)s1 ZINC000157370689 361078466 /nfs/dbraw/zinc/07/84/66/361078466.db2.gz ZHIFVLFSTZSYFE-RKDXNWHRSA-N 0 3 247.791 3.213 20 0 BGADHN CC(C)[C@@H](C)NCc1cc(-c2ccccc2)on1 ZINC000157372305 167381734 /nfs/dbraw/zinc/38/17/34/167381734.db2.gz SOORAPZNIYDGDN-GFCCVEGCSA-N 0 3 244.338 3.476 20 0 BGADHN CC(C)[C@H](C)NCc1cc(-c2ccccc2)on1 ZINC000157372471 187300820 /nfs/dbraw/zinc/30/08/20/187300820.db2.gz SOORAPZNIYDGDN-LBPRGKRZSA-N 0 3 244.338 3.476 20 0 BGADHN Cc1ccn2c(CN3CCCCCC3)cnc2c1 ZINC000157375049 326271653 /nfs/dbraw/zinc/27/16/53/326271653.db2.gz YYHRVUDPKAHXDP-UHFFFAOYSA-N 0 3 243.354 3.019 20 0 BGADHN CCc1ccc(CN2CCCCCC2)o1 ZINC000157376122 326271673 /nfs/dbraw/zinc/27/16/73/326271673.db2.gz QYLOEBCMMZCFNH-UHFFFAOYSA-N 0 3 207.317 3.218 20 0 BGADHN c1ccc2c(c1)C=C(CN1CCCCCC1)CO2 ZINC000157378114 326271510 /nfs/dbraw/zinc/27/15/10/326271510.db2.gz UGOQTAZWPOQZNB-UHFFFAOYSA-N 0 3 243.350 3.338 20 0 BGADHN Cc1cccn2c(CN3CCCCCC3)cnc12 ZINC000157379746 326271438 /nfs/dbraw/zinc/27/14/38/326271438.db2.gz YNBPQMCUWDHTBD-UHFFFAOYSA-N 0 3 243.354 3.019 20 0 BGADHN CC(C)(C)c1n[nH]cc1CN1CCCCCC1 ZINC000157381835 326272070 /nfs/dbraw/zinc/27/20/70/326272070.db2.gz FVWHMEFZDNXYMO-UHFFFAOYSA-N 0 3 235.375 3.083 20 0 BGADHN CC(=O)Nc1ccccc1CN1CCCCCC1 ZINC000157386014 188158522 /nfs/dbraw/zinc/15/85/22/188158522.db2.gz UWYZFQCBUFFCJW-UHFFFAOYSA-N 0 3 246.354 3.021 20 0 BGADHN c1nc(C2CC2)sc1CN1CCCCCC1 ZINC000157387063 326271903 /nfs/dbraw/zinc/27/19/03/326271903.db2.gz MZOBITYTVGUATB-UHFFFAOYSA-N 0 3 236.384 3.397 20 0 BGADHN CC(C)(C)n1cc(CN2CCCCCC2)cn1 ZINC000157389410 326272498 /nfs/dbraw/zinc/27/24/98/326272498.db2.gz UXDJKFMOLVVKGO-UHFFFAOYSA-N 0 3 235.375 3.014 20 0 BGADHN CC[C@H](O)CCN[C@@H](C)c1ccccc1Cl ZINC000157389918 385500797 /nfs/dbraw/zinc/50/07/97/385500797.db2.gz UEAYBNUKTFVIDX-QWRGUYRKSA-N 0 3 241.762 3.152 20 0 BGADHN CC[C@@H](O)CCN[C@@H](C)c1ccccc1Cl ZINC000157390079 346382134 /nfs/dbraw/zinc/38/21/34/346382134.db2.gz UEAYBNUKTFVIDX-WDEREUQCSA-N 0 3 241.762 3.152 20 0 BGADHN CC[C@H](O)CCN[C@H](C)c1ccccc1Cl ZINC000157390231 385499712 /nfs/dbraw/zinc/49/97/12/385499712.db2.gz UEAYBNUKTFVIDX-MNOVXSKESA-N 0 3 241.762 3.152 20 0 BGADHN CC[C@@H](O)CCN[C@H](C)c1ccccc1Cl ZINC000157390384 346382124 /nfs/dbraw/zinc/38/21/24/346382124.db2.gz UEAYBNUKTFVIDX-GHMZBOCLSA-N 0 3 241.762 3.152 20 0 BGADHN Cc1ccc2ncc(CN3CCCCCC3)n2c1 ZINC000157390842 385499907 /nfs/dbraw/zinc/49/99/07/385499907.db2.gz HJTSGSNCWXAICL-UHFFFAOYSA-N 0 3 243.354 3.019 20 0 BGADHN Cl/C=C/CNC1(c2ccccc2)CCC1 ZINC000157398998 640674736 /nfs/dbraw/zinc/67/47/36/640674736.db2.gz GPQZYVBOHTVPOV-BJMVGYQFSA-N 0 3 221.731 3.408 20 0 BGADHN CC(C)OC(=O)CCN(C)[C@@H](C)c1ccccc1 ZINC000157421613 385173614 /nfs/dbraw/zinc/17/36/14/385173614.db2.gz ZRZGKSGDSPVQJQ-ZDUSSCGKSA-N 0 3 249.354 3.021 20 0 BGADHN CC(C)OC(=O)CCN(C)[C@H](C)c1ccccc1 ZINC000157421761 385174772 /nfs/dbraw/zinc/17/47/72/385174772.db2.gz ZRZGKSGDSPVQJQ-CYBMUJFWSA-N 0 3 249.354 3.021 20 0 BGADHN CCN(CCCSC)Cc1cccc(F)c1 ZINC000157435243 385176503 /nfs/dbraw/zinc/17/65/03/385176503.db2.gz ROCPDYXHWLRJCF-UHFFFAOYSA-N 0 3 241.375 3.401 20 0 BGADHN CC[C@@H]1CCCCN1Cc1ccc(COC)o1 ZINC000157444761 346382713 /nfs/dbraw/zinc/38/27/13/346382713.db2.gz DIDDJTLFQWBTPA-GFCCVEGCSA-N 0 3 237.343 3.191 20 0 BGADHN CC[C@H]1CCCCN1Cc1ccc(COC)o1 ZINC000157444921 385501798 /nfs/dbraw/zinc/50/17/98/385501798.db2.gz DIDDJTLFQWBTPA-LBPRGKRZSA-N 0 3 237.343 3.191 20 0 BGADHN CCCn1cc(CN2CCCC[C@@H]2CC)cn1 ZINC000157456094 326276126 /nfs/dbraw/zinc/27/61/26/326276126.db2.gz YIIVPRCZBNHSQJ-AWEZNQCLSA-N 0 3 235.375 3.058 20 0 BGADHN CCCn1cc(CN2CCCC[C@H]2CC)cn1 ZINC000157456260 326276279 /nfs/dbraw/zinc/27/62/79/326276279.db2.gz YIIVPRCZBNHSQJ-CQSZACIVSA-N 0 3 235.375 3.058 20 0 BGADHN CC[C@@H]1CCCCN1Cc1scnc1C ZINC000157465515 346382679 /nfs/dbraw/zinc/38/26/79/346382679.db2.gz MGOLLBYDGKYJHT-LLVKDONJSA-N 0 3 224.373 3.216 20 0 BGADHN CC[C@H]1CCCCN1Cc1scnc1C ZINC000157465652 171608294 /nfs/dbraw/zinc/60/82/94/171608294.db2.gz MGOLLBYDGKYJHT-NSHDSACASA-N 0 3 224.373 3.216 20 0 BGADHN CC[C@@H]1CCCCN1Cc1cnn(C(C)(C)C)c1 ZINC000157468872 326277127 /nfs/dbraw/zinc/27/71/27/326277127.db2.gz FCZCLDMZUFAUJR-CQSZACIVSA-N 0 3 249.402 3.403 20 0 BGADHN CC[C@H]1CCCCN1Cc1cnn(C(C)(C)C)c1 ZINC000157469006 326276882 /nfs/dbraw/zinc/27/68/82/326276882.db2.gz FCZCLDMZUFAUJR-AWEZNQCLSA-N 0 3 249.402 3.403 20 0 BGADHN CC1CC(NCc2ccc(F)cc2Cl)C1 ZINC000157484244 387802919 /nfs/dbraw/zinc/80/29/19/387802919.db2.gz QCFLUVIOHSMGSD-UHFFFAOYSA-N 0 3 227.710 3.367 20 0 BGADHN COCc1ccc(CN(C)C2CCCCC2)o1 ZINC000157491784 385506259 /nfs/dbraw/zinc/50/62/59/385506259.db2.gz LQNJJTYCGSEHJN-UHFFFAOYSA-N 0 3 237.343 3.191 20 0 BGADHN CN(Cc1cccc2c1OCO2)C1CCCCC1 ZINC000157497881 326279012 /nfs/dbraw/zinc/27/90/12/326279012.db2.gz QAMVRSNEIULKNB-UHFFFAOYSA-N 0 3 247.338 3.180 20 0 BGADHN CCn1nc(C)c(CN(C)C2CCCCC2)c1C ZINC000157499849 326278837 /nfs/dbraw/zinc/27/88/37/326278837.db2.gz PUTCLUHOBFCHPT-UHFFFAOYSA-N 0 3 249.402 3.284 20 0 BGADHN CCCn1cc(CN(C)C2CCCCC2)cn1 ZINC000157501534 326278942 /nfs/dbraw/zinc/27/89/42/326278942.db2.gz MYNVGDMLLHGGDX-UHFFFAOYSA-N 0 3 235.375 3.058 20 0 BGADHN CCOc1cccc(CN(C)C2CCCCC2)n1 ZINC000157501847 326278773 /nfs/dbraw/zinc/27/87/73/326278773.db2.gz MFRMFYBDKRALNB-UHFFFAOYSA-N 0 3 248.370 3.245 20 0 BGADHN CN(Cc1c[nH]nc1C(C)(C)C)C1CCCCC1 ZINC000157504471 326278949 /nfs/dbraw/zinc/27/89/49/326278949.db2.gz RPWCZLRFEKEJCP-UHFFFAOYSA-N 0 3 249.402 3.472 20 0 BGADHN CN(Cc1cnn(C(C)(C)C)c1)C1CCCCC1 ZINC000157512953 326279603 /nfs/dbraw/zinc/27/96/03/326279603.db2.gz YKDHDFNRZRNGMV-UHFFFAOYSA-N 0 3 249.402 3.403 20 0 BGADHN Cc1cnc(CCN(C)Cc2ccccc2)s1 ZINC000157530544 385508105 /nfs/dbraw/zinc/50/81/05/385508105.db2.gz CUICFACZDQURHP-UHFFFAOYSA-N 0 3 246.379 3.126 20 0 BGADHN CSCCCN(Cc1cccs1)C1CC1 ZINC000157595123 385510551 /nfs/dbraw/zinc/51/05/51/385510551.db2.gz LNBMKXDKOMHKHS-UHFFFAOYSA-N 0 3 241.425 3.466 20 0 BGADHN CCCn1nc(C)c(CN2CCC[C@H](C)C2)c1C ZINC000157670972 326289766 /nfs/dbraw/zinc/28/97/66/326289766.db2.gz IWIMCWOEIBDGBV-LBPRGKRZSA-N 0 3 249.402 3.142 20 0 BGADHN CCCn1nc(C)c(CN2CCC[C@@H](C)C2)c1C ZINC000157671128 323070129 /nfs/dbraw/zinc/07/01/29/323070129.db2.gz IWIMCWOEIBDGBV-GFCCVEGCSA-N 0 3 249.402 3.142 20 0 BGADHN CC(C)c1ncc(CN2CCC[C@@H](C)C2)s1 ZINC000157672814 326289661 /nfs/dbraw/zinc/28/96/61/326289661.db2.gz OYQKTSDCLLVKDF-LLVKDONJSA-N 0 3 238.400 3.498 20 0 BGADHN CC(C)c1ncc(CN2CCC[C@H](C)C2)s1 ZINC000157672959 326289707 /nfs/dbraw/zinc/28/97/07/326289707.db2.gz OYQKTSDCLLVKDF-NSHDSACASA-N 0 3 238.400 3.498 20 0 BGADHN CSCCCN(C)Cc1ccc(F)cc1 ZINC000157682783 385249140 /nfs/dbraw/zinc/24/91/40/385249140.db2.gz DGONWOAZOWQAFE-UHFFFAOYSA-N 0 3 227.348 3.011 20 0 BGADHN CCc1ccc(CN2CCC[C@H](C)C2)o1 ZINC000157689174 364757771 /nfs/dbraw/zinc/75/77/71/364757771.db2.gz QCQZQMALCUOSKA-NSHDSACASA-N 0 3 207.317 3.074 20 0 BGADHN CCc1ccc(CN2CCC[C@@H](C)C2)o1 ZINC000157689307 364757744 /nfs/dbraw/zinc/75/77/44/364757744.db2.gz QCQZQMALCUOSKA-LLVKDONJSA-N 0 3 207.317 3.074 20 0 BGADHN C[C@@H]1CCCN(CC2=Cc3ccccc3OC2)C1 ZINC000157693764 326290692 /nfs/dbraw/zinc/29/06/92/326290692.db2.gz GVMIREJSEICLDR-CYBMUJFWSA-N 0 3 243.350 3.194 20 0 BGADHN C[C@H]1CCCN(CC2=Cc3ccccc3OC2)C1 ZINC000157693903 326290772 /nfs/dbraw/zinc/29/07/72/326290772.db2.gz GVMIREJSEICLDR-ZDUSSCGKSA-N 0 3 243.350 3.194 20 0 BGADHN Cc1ccccc1CN(C)CCc1nccs1 ZINC000157712778 179269936 /nfs/dbraw/zinc/26/99/36/179269936.db2.gz NRTBITCMZNQIGU-UHFFFAOYSA-N 0 3 246.379 3.126 20 0 BGADHN C[C@@H]1CCCN(Cc2cnc(C3CC3)s2)C1 ZINC000157712841 538835127 /nfs/dbraw/zinc/83/51/27/538835127.db2.gz GXXJVQRLPXOTGI-SNVBAGLBSA-N 0 3 236.384 3.252 20 0 BGADHN C[C@H]1CCCN(Cc2cnc(C3CC3)s2)C1 ZINC000157712987 538836595 /nfs/dbraw/zinc/83/65/95/538836595.db2.gz GXXJVQRLPXOTGI-JTQLQIEISA-N 0 3 236.384 3.252 20 0 BGADHN Cc1ccc(CN(C)CCc2nccs2)cc1 ZINC000157718652 385518559 /nfs/dbraw/zinc/51/85/59/385518559.db2.gz JYLQEYFWROPCBB-UHFFFAOYSA-N 0 3 246.379 3.126 20 0 BGADHN C[C@H](SCCN(C)C)c1c(F)cccc1F ZINC000157724914 326292798 /nfs/dbraw/zinc/29/27/98/326292798.db2.gz WHJRVZRCVCMIFH-VIFPVBQESA-N 0 3 245.338 3.321 20 0 BGADHN C[C@@H](SCCN(C)C)c1c(F)cccc1F ZINC000157725056 326292436 /nfs/dbraw/zinc/29/24/36/326292436.db2.gz WHJRVZRCVCMIFH-SECBINFHSA-N 0 3 245.338 3.321 20 0 BGADHN Cc1ccccc1CCCSCCN(C)C ZINC000157735677 326293446 /nfs/dbraw/zinc/29/34/46/326293446.db2.gz AVOKRMGEYQTUSG-UHFFFAOYSA-N 0 3 237.412 3.222 20 0 BGADHN C[C@H](SCCN(C)C)c1cccc(F)c1 ZINC000157750835 326294330 /nfs/dbraw/zinc/29/43/30/326294330.db2.gz PILWLXBOBIANHI-JTQLQIEISA-N 0 3 227.348 3.182 20 0 BGADHN C[C@@H](SCCN(C)C)c1cccc(F)c1 ZINC000157750981 326294567 /nfs/dbraw/zinc/29/45/67/326294567.db2.gz PILWLXBOBIANHI-SNVBAGLBSA-N 0 3 227.348 3.182 20 0 BGADHN CC(C)N(Cc1ccon1)C1CCCCC1 ZINC000157755438 323070492 /nfs/dbraw/zinc/07/04/92/323070492.db2.gz CUFRKEDNUOUAAF-UHFFFAOYSA-N 0 3 222.332 3.218 20 0 BGADHN CN(C)CCSCCOC1CCCCCC1 ZINC000157762809 343232648 /nfs/dbraw/zinc/23/26/48/343232648.db2.gz GXIKHQFHBZXRLB-UHFFFAOYSA-N 0 3 245.432 3.021 20 0 BGADHN COc1cccc([C@H](C)SCCN(C)C)c1 ZINC000157763105 326294819 /nfs/dbraw/zinc/29/48/19/326294819.db2.gz IQKJGNNNLFACHD-NSHDSACASA-N 0 3 239.384 3.051 20 0 BGADHN COc1cccc([C@@H](C)SCCN(C)C)c1 ZINC000157763256 326294898 /nfs/dbraw/zinc/29/48/98/326294898.db2.gz IQKJGNNNLFACHD-LLVKDONJSA-N 0 3 239.384 3.051 20 0 BGADHN CCCCCCN(C)Cc1cccnc1 ZINC000157789318 385523119 /nfs/dbraw/zinc/52/31/19/385523119.db2.gz YFPJLGJKBRSNSJ-UHFFFAOYSA-N 0 3 206.333 3.094 20 0 BGADHN Cc1cccc(C)c1CSCCN(C)C ZINC000157811693 326296325 /nfs/dbraw/zinc/29/63/25/326296325.db2.gz STLSNNDZDYKWHI-UHFFFAOYSA-N 0 3 223.385 3.098 20 0 BGADHN Cc1ccccc1[C@@H](C)SCCN(C)C ZINC000157817741 326296988 /nfs/dbraw/zinc/29/69/88/326296988.db2.gz OQRDDCRFZLKDJC-GFCCVEGCSA-N 0 3 223.385 3.351 20 0 BGADHN Cc1ccccc1[C@H](C)SCCN(C)C ZINC000157817882 326296973 /nfs/dbraw/zinc/29/69/73/326296973.db2.gz OQRDDCRFZLKDJC-LBPRGKRZSA-N 0 3 223.385 3.351 20 0 BGADHN C[C@@H](c1cccs1)N(C)Cc1ccn(C)c1 ZINC000157820620 176033420 /nfs/dbraw/zinc/03/34/20/176033420.db2.gz HLIVOIDXKYYXSD-NSHDSACASA-N 0 3 234.368 3.280 20 0 BGADHN C[C@H](c1cccs1)N(C)Cc1ccn(C)c1 ZINC000157820770 177049190 /nfs/dbraw/zinc/04/91/90/177049190.db2.gz HLIVOIDXKYYXSD-LLVKDONJSA-N 0 3 234.368 3.280 20 0 BGADHN C[C@@H](c1cccs1)N(C)CC1=CCCOC1 ZINC000157850954 326297918 /nfs/dbraw/zinc/29/79/18/326297918.db2.gz JJTABPQMYSNPHJ-NSHDSACASA-N 0 3 237.368 3.088 20 0 BGADHN C[C@H](c1cccs1)N(C)CC1=CCCOC1 ZINC000157851101 326298044 /nfs/dbraw/zinc/29/80/44/326298044.db2.gz JJTABPQMYSNPHJ-LLVKDONJSA-N 0 3 237.368 3.088 20 0 BGADHN C[C@@H](CSCCN(C)C)c1ccccc1 ZINC000157883486 385532719 /nfs/dbraw/zinc/53/27/19/385532719.db2.gz AKCANUNDVZZBHR-LBPRGKRZSA-N 0 3 223.385 3.085 20 0 BGADHN C[C@H](CSCCN(C)C)c1ccccc1 ZINC000157883631 385532340 /nfs/dbraw/zinc/53/23/40/385532340.db2.gz AKCANUNDVZZBHR-GFCCVEGCSA-N 0 3 223.385 3.085 20 0 BGADHN C[C@H](SCCN(C)C)c1ccc(F)c(F)c1 ZINC000157903720 326299795 /nfs/dbraw/zinc/29/97/95/326299795.db2.gz BGBMMQMEBAZAAW-VIFPVBQESA-N 0 3 245.338 3.321 20 0 BGADHN C[C@@H](SCCN(C)C)c1ccc(F)c(F)c1 ZINC000157903867 326299881 /nfs/dbraw/zinc/29/98/81/326299881.db2.gz BGBMMQMEBAZAAW-SECBINFHSA-N 0 3 245.338 3.321 20 0 BGADHN Cc1ccc([C@@H](C)N[C@@H]2CCO[C@H](C3CC3)C2)o1 ZINC000157914049 385536379 /nfs/dbraw/zinc/53/63/79/385536379.db2.gz VIVKAKRHDWFWDZ-KYOSRNDESA-N 0 3 249.354 3.196 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H]2CCO[C@H](C3CC3)C2)o1 ZINC000157914195 385536699 /nfs/dbraw/zinc/53/66/99/385536699.db2.gz VIVKAKRHDWFWDZ-LNSITVRQSA-N 0 3 249.354 3.196 20 0 BGADHN Cc1ccc([C@@H](C)N[C@H]2CCO[C@H](C3CC3)C2)o1 ZINC000157914343 385536473 /nfs/dbraw/zinc/53/64/73/385536473.db2.gz VIVKAKRHDWFWDZ-ZLDLUXBVSA-N 0 3 249.354 3.196 20 0 BGADHN Cc1ccc([C@H](C)N[C@H]2CCO[C@H](C3CC3)C2)o1 ZINC000157914489 385536660 /nfs/dbraw/zinc/53/66/60/385536660.db2.gz VIVKAKRHDWFWDZ-WHOFXGATSA-N 0 3 249.354 3.196 20 0 BGADHN CSCCCN(C)[C@@H](C)c1cccc(O)c1 ZINC000157973763 385540817 /nfs/dbraw/zinc/54/08/17/385540817.db2.gz TVGPEDKUFULSFD-NSHDSACASA-N 0 3 239.384 3.138 20 0 BGADHN CSCCCN(C)[C@H](C)c1cccc(O)c1 ZINC000157973916 385541704 /nfs/dbraw/zinc/54/17/04/385541704.db2.gz TVGPEDKUFULSFD-LLVKDONJSA-N 0 3 239.384 3.138 20 0 BGADHN COc1ccccc1[C@H]1CCN(CC=C(C)C)C1 ZINC000157991418 175354319 /nfs/dbraw/zinc/35/43/19/175354319.db2.gz JJQKCTASZDGGCK-AWEZNQCLSA-N 0 3 245.366 3.451 20 0 BGADHN COc1ccccc1[C@@H]1CCN(CC=C(C)C)C1 ZINC000157991571 175348903 /nfs/dbraw/zinc/34/89/03/175348903.db2.gz JJQKCTASZDGGCK-CQSZACIVSA-N 0 3 245.366 3.451 20 0 BGADHN CC(C)[C@@H]1CCN(Cc2ccnc(Cl)c2)C1 ZINC000157997605 641625375 /nfs/dbraw/zinc/62/53/75/641625375.db2.gz RNOXJSGVHFMTJE-GFCCVEGCSA-N 0 3 238.762 3.213 20 0 BGADHN CC(C)[C@H]1CCN(Cc2ccnc(Cl)c2)C1 ZINC000157997747 641625405 /nfs/dbraw/zinc/62/54/05/641625405.db2.gz RNOXJSGVHFMTJE-LBPRGKRZSA-N 0 3 238.762 3.213 20 0 BGADHN CC(C)[C@@H]1CCN(Cc2cccc(Cl)n2)C1 ZINC000157998584 641624893 /nfs/dbraw/zinc/62/48/93/641624893.db2.gz WCWGUEJFGWTHGE-LLVKDONJSA-N 0 3 238.762 3.213 20 0 BGADHN CC(C)[C@H]1CCN(Cc2cccc(Cl)n2)C1 ZINC000157998746 641625320 /nfs/dbraw/zinc/62/53/20/641625320.db2.gz WCWGUEJFGWTHGE-NSHDSACASA-N 0 3 238.762 3.213 20 0 BGADHN CC(C)[C@@H]1CCN(Cc2ccc(Cl)nc2)C1 ZINC000158000151 641625717 /nfs/dbraw/zinc/62/57/17/641625717.db2.gz WOXSWRNVYALBCJ-GFCCVEGCSA-N 0 3 238.762 3.213 20 0 BGADHN CC(C)[C@H]1CCN(Cc2ccc(Cl)nc2)C1 ZINC000158000293 641624960 /nfs/dbraw/zinc/62/49/60/641624960.db2.gz WOXSWRNVYALBCJ-LBPRGKRZSA-N 0 3 238.762 3.213 20 0 BGADHN CC(C)[C@@H]1CCN(Cc2cccnc2Cl)C1 ZINC000158001080 641625555 /nfs/dbraw/zinc/62/55/55/641625555.db2.gz GMAAGTJXAQVBME-LLVKDONJSA-N 0 3 238.762 3.213 20 0 BGADHN CC(C)[C@H]1CCN(Cc2cccnc2Cl)C1 ZINC000158001221 641624999 /nfs/dbraw/zinc/62/49/99/641624999.db2.gz GMAAGTJXAQVBME-NSHDSACASA-N 0 3 238.762 3.213 20 0 BGADHN C[C@@H]1C[C@H](C)CN(Cc2c[nH]nc2C(C)(C)C)C1 ZINC000158019769 326304460 /nfs/dbraw/zinc/30/44/60/326304460.db2.gz XXHJIVYNGPJGPE-TXEJJXNPSA-N 0 3 249.402 3.185 20 0 BGADHN C[C@H]1C[C@H](C)CN(Cc2c[nH]nc2C(C)(C)C)C1 ZINC000158019901 326304483 /nfs/dbraw/zinc/30/44/83/326304483.db2.gz XXHJIVYNGPJGPE-RYUDHWBXSA-N 0 3 249.402 3.185 20 0 BGADHN C[C@@H]1C[C@@H](C)CN(Cc2c[nH]nc2C(C)(C)C)C1 ZINC000158020031 326304230 /nfs/dbraw/zinc/30/42/30/326304230.db2.gz XXHJIVYNGPJGPE-VXGBXAGGSA-N 0 3 249.402 3.185 20 0 BGADHN C[C@@H](C1CC1)N(C)Cc1cc(F)cc(F)c1 ZINC000158020688 326304381 /nfs/dbraw/zinc/30/43/81/326304381.db2.gz UTPGJVXKKZWSTP-VIFPVBQESA-N 0 3 225.282 3.195 20 0 BGADHN C[C@H](C1CC1)N(C)Cc1cc(F)cc(F)c1 ZINC000158020831 326304481 /nfs/dbraw/zinc/30/44/81/326304481.db2.gz UTPGJVXKKZWSTP-SECBINFHSA-N 0 3 225.282 3.195 20 0 BGADHN Cc1ccc([C@@H](C)N[C@@H](CCO)C(C)(C)C)o1 ZINC000158021464 385542871 /nfs/dbraw/zinc/54/28/71/385542871.db2.gz CAXDBJLOZHICKE-YPMHNXCESA-N 0 3 239.359 3.036 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H](CCO)C(C)(C)C)o1 ZINC000158021591 385542626 /nfs/dbraw/zinc/54/26/26/385542626.db2.gz CAXDBJLOZHICKE-AAEUAGOBSA-N 0 3 239.359 3.036 20 0 BGADHN Cc1ccc([C@@H](C)N[C@H](CCO)C(C)(C)C)o1 ZINC000158021736 385543962 /nfs/dbraw/zinc/54/39/62/385543962.db2.gz CAXDBJLOZHICKE-DGCLKSJQSA-N 0 3 239.359 3.036 20 0 BGADHN Cc1ccc([C@H](C)N[C@H](CCO)C(C)(C)C)o1 ZINC000158021886 385542655 /nfs/dbraw/zinc/54/26/55/385542655.db2.gz CAXDBJLOZHICKE-WCQYABFASA-N 0 3 239.359 3.036 20 0 BGADHN Cc1ccc(F)c(CN(C)[C@@H](C)C2CC2)c1 ZINC000158022805 326304931 /nfs/dbraw/zinc/30/49/31/326304931.db2.gz SRNAQMJMCYTLAK-NSHDSACASA-N 0 3 221.319 3.364 20 0 BGADHN Cc1ccc(F)c(CN(C)[C@H](C)C2CC2)c1 ZINC000158022956 326304705 /nfs/dbraw/zinc/30/47/05/326304705.db2.gz SRNAQMJMCYTLAK-LLVKDONJSA-N 0 3 221.319 3.364 20 0 BGADHN CCCn1nc(C)c(CN(C)[C@@H](C)C2CC2)c1C ZINC000158024368 326305012 /nfs/dbraw/zinc/30/50/12/326305012.db2.gz HHFSAGPTOMXFPK-LBPRGKRZSA-N 0 3 249.402 3.140 20 0 BGADHN CCCn1nc(C)c(CN(C)[C@H](C)C2CC2)c1C ZINC000158024524 326304801 /nfs/dbraw/zinc/30/48/01/326304801.db2.gz HHFSAGPTOMXFPK-GFCCVEGCSA-N 0 3 249.402 3.140 20 0 BGADHN CC(C)c1ncc(CN(C)[C@@H](C)C2CC2)s1 ZINC000158026564 326304934 /nfs/dbraw/zinc/30/49/34/326304934.db2.gz BMEPCTFDCQOXCM-JTQLQIEISA-N 0 3 238.400 3.497 20 0 BGADHN CC(C)c1ncc(CN(C)[C@H](C)C2CC2)s1 ZINC000158026711 326304984 /nfs/dbraw/zinc/30/49/84/326304984.db2.gz BMEPCTFDCQOXCM-SNVBAGLBSA-N 0 3 238.400 3.497 20 0 BGADHN C[C@@H]1C[C@H](C)CN(Cc2cnn(C(C)(C)C)c2)C1 ZINC000158039887 326305646 /nfs/dbraw/zinc/30/56/46/326305646.db2.gz JULLLSDESHYSMC-BETUJISGSA-N 0 3 249.402 3.116 20 0 BGADHN C[C@H]1C[C@H](C)CN(Cc2cnn(C(C)(C)C)c2)C1 ZINC000158040019 326305819 /nfs/dbraw/zinc/30/58/19/326305819.db2.gz JULLLSDESHYSMC-STQMWFEESA-N 0 3 249.402 3.116 20 0 BGADHN C[C@@H]1C[C@@H](C)CN(Cc2cnn(C(C)(C)C)c2)C1 ZINC000158040154 326305590 /nfs/dbraw/zinc/30/55/90/326305590.db2.gz JULLLSDESHYSMC-CHWSQXEVSA-N 0 3 249.402 3.116 20 0 BGADHN CCCN(CCC)Cc1ccc(COC)o1 ZINC000158044923 169149540 /nfs/dbraw/zinc/14/95/40/169149540.db2.gz XOTUSWVBLCETTM-UHFFFAOYSA-N 0 3 225.332 3.048 20 0 BGADHN CCN(C)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000158045539 385329665 /nfs/dbraw/zinc/32/96/65/385329665.db2.gz TYTNWRYQBBLJIK-UHFFFAOYSA-N 0 3 249.354 3.094 20 0 BGADHN CCCN(CCC)Cc1c(C)nn(CC)c1C ZINC000158049546 323071747 /nfs/dbraw/zinc/07/17/47/323071747.db2.gz ODLACZRUFBPAHA-UHFFFAOYSA-N 0 3 237.391 3.142 20 0 BGADHN CCCN(CCC)Cc1cnc2cc(C)ccn12 ZINC000158049867 326306027 /nfs/dbraw/zinc/30/60/27/326306027.db2.gz HFAPRKBTQRYFFG-UHFFFAOYSA-N 0 3 245.370 3.265 20 0 BGADHN CCCN(CCC)Cc1cccc(OCC)n1 ZINC000158051622 326306308 /nfs/dbraw/zinc/30/63/08/326306308.db2.gz NNDSVLDDZSPWNO-UHFFFAOYSA-N 0 3 236.359 3.102 20 0 BGADHN CCCN(CCC)Cc1cnc2c(C)cccn12 ZINC000158052887 326305986 /nfs/dbraw/zinc/30/59/86/326305986.db2.gz DVCCNCCQCHZSIC-UHFFFAOYSA-N 0 3 245.370 3.265 20 0 BGADHN CCCN(CCC)Cc1c[nH]nc1C(C)(C)C ZINC000158053855 326306304 /nfs/dbraw/zinc/30/63/04/326306304.db2.gz ADHBGFVBOBYACK-UHFFFAOYSA-N 0 3 237.391 3.329 20 0 BGADHN CCCN(CCC)Cc1scnc1C ZINC000158057161 169150159 /nfs/dbraw/zinc/15/01/59/169150159.db2.gz PTWNUPHYCDXMAR-UHFFFAOYSA-N 0 3 212.362 3.074 20 0 BGADHN CCCN(CCC)Cc1cnn(C(C)(C)C)c1 ZINC000158059521 322912478 /nfs/dbraw/zinc/91/24/78/322912478.db2.gz YXGJLXFEHUYZMZ-UHFFFAOYSA-N 0 3 237.391 3.260 20 0 BGADHN CCCN(CCC)Cc1cnc2ccc(C)cn12 ZINC000158060376 326306446 /nfs/dbraw/zinc/30/64/46/326306446.db2.gz CROAGQOIEMCXFP-UHFFFAOYSA-N 0 3 245.370 3.265 20 0 BGADHN CCCCN(CCCC)Cc1cnn(CC)c1 ZINC000158061753 326307114 /nfs/dbraw/zinc/30/71/14/326307114.db2.gz KNMUYJMMXSFBHS-UHFFFAOYSA-N 0 3 237.391 3.305 20 0 BGADHN CCCCN(CCCC)Cc1ccnn1CC ZINC000158062809 322912502 /nfs/dbraw/zinc/91/25/02/322912502.db2.gz FJIHIRMYSSHAQK-UHFFFAOYSA-N 0 3 237.391 3.305 20 0 BGADHN CCc1ccc(CN(C)[C@@H](C)C2CC2)o1 ZINC000158062836 385547605 /nfs/dbraw/zinc/54/76/05/385547605.db2.gz NHORREVCDLTZHN-JTQLQIEISA-N 0 3 207.317 3.072 20 0 BGADHN CCc1ccc(CN(C)[C@H](C)C2CC2)o1 ZINC000158062991 385546931 /nfs/dbraw/zinc/54/69/31/385546931.db2.gz NHORREVCDLTZHN-SNVBAGLBSA-N 0 3 207.317 3.072 20 0 BGADHN C[C@@H](C1CC1)N(C)Cc1cc(F)c(F)c(F)c1 ZINC000158072273 326307423 /nfs/dbraw/zinc/30/74/23/326307423.db2.gz DFUAVFSZUIWSEA-QMMMGPOBSA-N 0 3 243.272 3.334 20 0 BGADHN C[C@H](C1CC1)N(C)Cc1cc(F)c(F)c(F)c1 ZINC000158072413 326307224 /nfs/dbraw/zinc/30/72/24/326307224.db2.gz DFUAVFSZUIWSEA-MRVPVSSYSA-N 0 3 243.272 3.334 20 0 BGADHN C[C@@H](C1CC1)N(C)Cc1cnc(C2CC2)s1 ZINC000158104659 326308439 /nfs/dbraw/zinc/30/84/39/326308439.db2.gz HGVAJTCALGMDKZ-VIFPVBQESA-N 0 3 236.384 3.251 20 0 BGADHN C[C@H](C1CC1)N(C)Cc1cnc(C2CC2)s1 ZINC000158104794 326308676 /nfs/dbraw/zinc/30/86/76/326308676.db2.gz HGVAJTCALGMDKZ-SECBINFHSA-N 0 3 236.384 3.251 20 0 BGADHN C[C@@H](C1CC1)N(C)Cc1cc(F)c(F)cc1F ZINC000158105944 326308494 /nfs/dbraw/zinc/30/84/94/326308494.db2.gz VIXJAQULEDQQCT-QMMMGPOBSA-N 0 3 243.272 3.334 20 0 BGADHN C[C@H](C1CC1)N(C)Cc1cc(F)c(F)cc1F ZINC000158106097 326308213 /nfs/dbraw/zinc/30/82/13/326308213.db2.gz VIXJAQULEDQQCT-MRVPVSSYSA-N 0 3 243.272 3.334 20 0 BGADHN CC(C)CC[C@@H]1CCCCN1Cc1cnn(C)c1 ZINC000158129869 385352243 /nfs/dbraw/zinc/35/22/43/385352243.db2.gz VLUAEMLTJUTFCD-HNNXBMFYSA-N 0 3 249.402 3.211 20 0 BGADHN CC(C)CC[C@H]1CCCCN1Cc1cnn(C)c1 ZINC000158130027 385352205 /nfs/dbraw/zinc/35/22/05/385352205.db2.gz VLUAEMLTJUTFCD-OAHLLOKOSA-N 0 3 249.402 3.211 20 0 BGADHN CC(C)CC[C@@H]1CCCCN1Cc1cncn1C ZINC000158138532 385355231 /nfs/dbraw/zinc/35/52/31/385355231.db2.gz PSIDBPKYWVKPMI-AWEZNQCLSA-N 0 3 249.402 3.211 20 0 BGADHN CC(C)CC[C@H]1CCCCN1Cc1cncn1C ZINC000158138668 385355579 /nfs/dbraw/zinc/35/55/79/385355579.db2.gz PSIDBPKYWVKPMI-CQSZACIVSA-N 0 3 249.402 3.211 20 0 BGADHN CCCCN(C)Cc1cc(F)cc(F)c1 ZINC000158148152 326310093 /nfs/dbraw/zinc/31/00/93/326310093.db2.gz FFLMDYVUIOLHIM-UHFFFAOYSA-N 0 3 213.271 3.197 20 0 BGADHN CCCCN(C)Cc1cccc2c1OCCCO2 ZINC000158148629 326309939 /nfs/dbraw/zinc/30/99/39/326309939.db2.gz TYHMCJUNYUCVJP-UHFFFAOYSA-N 0 3 249.354 3.080 20 0 BGADHN CCCCN(C)Cc1c(C)nn(CCC)c1C ZINC000158149559 323072259 /nfs/dbraw/zinc/07/22/59/323072259.db2.gz QOMHQVPVPVUJOU-UHFFFAOYSA-N 0 3 237.391 3.142 20 0 BGADHN CCCCN(C)Cc1cnc(C(C)C)s1 ZINC000158150360 326309933 /nfs/dbraw/zinc/30/99/33/326309933.db2.gz WTQLWERTYWFBNS-UHFFFAOYSA-N 0 3 226.389 3.498 20 0 BGADHN CCCCN(C)Cc1ncccc1C(F)(F)F ZINC000158150522 323072158 /nfs/dbraw/zinc/07/21/58/323072158.db2.gz SZWQSRXBFOKYCW-UHFFFAOYSA-N 0 3 246.276 3.332 20 0 BGADHN CCCC[C@@H](COC)N[C@@H](C)c1ccc(C)o1 ZINC000158155339 385352885 /nfs/dbraw/zinc/35/28/85/385352885.db2.gz MNOIUVASIZFOIG-STQMWFEESA-N 0 3 239.359 3.444 20 0 BGADHN CCCC[C@H](COC)N[C@@H](C)c1ccc(C)o1 ZINC000158155479 385353549 /nfs/dbraw/zinc/35/35/49/385353549.db2.gz MNOIUVASIZFOIG-QWHCGFSZSA-N 0 3 239.359 3.444 20 0 BGADHN CCCC[C@@H](COC)N[C@H](C)c1ccc(C)o1 ZINC000158155615 385353722 /nfs/dbraw/zinc/35/37/22/385353722.db2.gz MNOIUVASIZFOIG-OLZOCXBDSA-N 0 3 239.359 3.444 20 0 BGADHN CCCC[C@H](COC)N[C@H](C)c1ccc(C)o1 ZINC000158155749 535042427 /nfs/dbraw/zinc/04/24/27/535042427.db2.gz MNOIUVASIZFOIG-CHWSQXEVSA-N 0 3 239.359 3.444 20 0 BGADHN CC(C)CC[C@@H]1CCCCN1Cc1nccn1C ZINC000158160350 385361137 /nfs/dbraw/zinc/36/11/37/385361137.db2.gz GEDWRZGYEYEJCY-AWEZNQCLSA-N 0 3 249.402 3.211 20 0 BGADHN CC(C)CC[C@H]1CCCCN1Cc1nccn1C ZINC000158160486 385359439 /nfs/dbraw/zinc/35/94/39/385359439.db2.gz GEDWRZGYEYEJCY-CQSZACIVSA-N 0 3 249.402 3.211 20 0 BGADHN CCCCN(C)CC1=Cc2ccccc2OC1 ZINC000158160740 385550459 /nfs/dbraw/zinc/55/04/59/385550459.db2.gz KIKKMWVVTOZJCA-UHFFFAOYSA-N 0 3 231.339 3.194 20 0 BGADHN CCCCN(C)Cc1cc(F)c(F)c(F)c1 ZINC000158161821 326310255 /nfs/dbraw/zinc/31/02/55/326310255.db2.gz VWZMFBFBUMIZKG-UHFFFAOYSA-N 0 3 231.261 3.336 20 0 BGADHN Fc1ccc(CNC2CCCCCC2)nc1 ZINC000158162958 385551089 /nfs/dbraw/zinc/55/10/89/385551089.db2.gz UOLALTVEIUSVDX-UHFFFAOYSA-N 0 3 222.307 3.033 20 0 BGADHN CCCCN(C)Cc1cnc(C2CC2)s1 ZINC000158170115 326310874 /nfs/dbraw/zinc/31/08/74/326310874.db2.gz LKGXMBLXDFEGSL-UHFFFAOYSA-N 0 3 224.373 3.252 20 0 BGADHN CCCCN(C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000158174212 326311014 /nfs/dbraw/zinc/31/10/14/326311014.db2.gz ZSGVVMWNHUJIBR-UHFFFAOYSA-N 0 3 243.354 3.309 20 0 BGADHN CC(C)CCN(CCC(C)C)Cc1cncnc1 ZINC000158179305 538853034 /nfs/dbraw/zinc/85/30/34/538853034.db2.gz YFGVFJBRQQLRRN-UHFFFAOYSA-N 0 3 249.402 3.371 20 0 BGADHN CC(C)OCCNCc1ccc(C(C)(C)C)cc1 ZINC000158224896 201641118 /nfs/dbraw/zinc/64/11/18/201641118.db2.gz VGVOYRMGDDTAOJ-UHFFFAOYSA-N 0 3 249.398 3.499 20 0 BGADHN C[C@@H](c1ccccc1)N1CCOC2(CCCC2)C1 ZINC000158248367 326312836 /nfs/dbraw/zinc/31/28/36/326312836.db2.gz VUTGTQCBKSZFSK-AWEZNQCLSA-N 0 3 245.366 3.393 20 0 BGADHN C[C@H](c1ccccc1)N1CCOC2(CCCC2)C1 ZINC000158248503 326313052 /nfs/dbraw/zinc/31/30/52/326313052.db2.gz VUTGTQCBKSZFSK-CQSZACIVSA-N 0 3 245.366 3.393 20 0 BGADHN CCOc1cccc(CN[C@H](C)C(C)(C)C)n1 ZINC000158305459 344266696 /nfs/dbraw/zinc/26/66/96/344266696.db2.gz ZRFGYJDNMOYHFG-LLVKDONJSA-N 0 3 236.359 3.005 20 0 BGADHN Cc1ccccc1CN1CCOC2(CCCC2)C1 ZINC000158325390 345321051 /nfs/dbraw/zinc/32/10/51/345321051.db2.gz JCVDOPVHSARQRC-UHFFFAOYSA-N 0 3 245.366 3.140 20 0 BGADHN CN(Cc1ccccc1)C[C@H](O)C1CCCCC1 ZINC000158325672 358991362 /nfs/dbraw/zinc/99/13/62/358991362.db2.gz FGGPSTUGLPREMS-INIZCTEOSA-N 0 3 247.382 3.060 20 0 BGADHN CN(Cc1ccccc1)C[C@@H](O)C1CCCCC1 ZINC000158325813 358991650 /nfs/dbraw/zinc/99/16/50/358991650.db2.gz FGGPSTUGLPREMS-MRXNPFEDSA-N 0 3 247.382 3.060 20 0 BGADHN CC(C)CC[C@@H]1CCC[C@@H]1NCc1ccon1 ZINC000158326922 345320506 /nfs/dbraw/zinc/32/05/06/345320506.db2.gz NKLJFZBTJJFJES-JSGCOSHPSA-N 0 3 236.359 3.369 20 0 BGADHN CC(C)CC[C@H]1CCC[C@@H]1NCc1ccon1 ZINC000158327071 345320629 /nfs/dbraw/zinc/32/06/29/345320629.db2.gz NKLJFZBTJJFJES-OCCSQVGLSA-N 0 3 236.359 3.369 20 0 BGADHN CC(C)CC[C@@H]1CCC[C@H]1NCc1ccon1 ZINC000158327203 345320812 /nfs/dbraw/zinc/32/08/12/345320812.db2.gz NKLJFZBTJJFJES-GXTWGEPZSA-N 0 3 236.359 3.369 20 0 BGADHN CC(C)CC[C@H]1CCC[C@H]1NCc1ccon1 ZINC000158327339 345320699 /nfs/dbraw/zinc/32/06/99/345320699.db2.gz NKLJFZBTJJFJES-TZMCWYRMSA-N 0 3 236.359 3.369 20 0 BGADHN CCC[C@@H](Cc1ccccc1)NCc1ccon1 ZINC000158330723 538858528 /nfs/dbraw/zinc/85/85/28/538858528.db2.gz GHSLMVLXGNASCP-AWEZNQCLSA-N 0 3 244.338 3.176 20 0 BGADHN CCC[C@H](Cc1ccccc1)NCc1ccon1 ZINC000158330861 538857636 /nfs/dbraw/zinc/85/76/36/538857636.db2.gz GHSLMVLXGNASCP-CQSZACIVSA-N 0 3 244.338 3.176 20 0 BGADHN c1cc(CN[C@H]2CCC[C@H]2c2ccccc2)no1 ZINC000158331147 183426151 /nfs/dbraw/zinc/42/61/51/183426151.db2.gz RENCZZPDEUFKEU-GJZGRUSLSA-N 0 3 242.322 3.101 20 0 BGADHN c1cc(CN[C@H]2CCC[C@@H]2c2ccccc2)no1 ZINC000158331282 384218791 /nfs/dbraw/zinc/21/87/91/384218791.db2.gz RENCZZPDEUFKEU-CABCVRRESA-N 0 3 242.322 3.101 20 0 BGADHN c1cc(CN[C@@H]2CCC[C@H]2c2ccccc2)no1 ZINC000158331390 384219209 /nfs/dbraw/zinc/21/92/09/384219209.db2.gz RENCZZPDEUFKEU-LSDHHAIUSA-N 0 3 242.322 3.101 20 0 BGADHN c1cc(CN[C@@H]2CCC[C@@H]2c2ccccc2)no1 ZINC000158331535 384217771 /nfs/dbraw/zinc/21/77/71/384217771.db2.gz RENCZZPDEUFKEU-HUUCEWRRSA-N 0 3 242.322 3.101 20 0 BGADHN C[C@@H](NCc1ccon1)[C@@H](C)C1CCCCC1 ZINC000158334072 326315512 /nfs/dbraw/zinc/31/55/12/326315512.db2.gz ADKRTYSSMZHJCN-VXGBXAGGSA-N 0 3 236.359 3.369 20 0 BGADHN C[C@@H](NCc1ccon1)[C@H](C)C1CCCCC1 ZINC000158334204 326315762 /nfs/dbraw/zinc/31/57/62/326315762.db2.gz ADKRTYSSMZHJCN-NWDGAFQWSA-N 0 3 236.359 3.369 20 0 BGADHN C[C@H](NCc1ccon1)[C@@H](C)C1CCCCC1 ZINC000158334334 323072742 /nfs/dbraw/zinc/07/27/42/323072742.db2.gz ADKRTYSSMZHJCN-NEPJUHHUSA-N 0 3 236.359 3.369 20 0 BGADHN C[C@@H]([C@H](C)NCc1ccon1)C1CCCCC1 ZINC000158334482 323072807 /nfs/dbraw/zinc/07/28/07/323072807.db2.gz ADKRTYSSMZHJCN-RYUDHWBXSA-N 0 3 236.359 3.369 20 0 BGADHN CCOCCCN(C)Cc1ccc(Cl)cc1 ZINC000158351168 345323456 /nfs/dbraw/zinc/32/34/56/345323456.db2.gz VUYUDCSZTMMUCH-UHFFFAOYSA-N 0 3 241.762 3.198 20 0 BGADHN Cc1noc(C)c1CN1CCC2(CCCC2)CC1 ZINC000158377686 345325378 /nfs/dbraw/zinc/32/53/78/345325378.db2.gz MYZWPHBLXAPBKD-UHFFFAOYSA-N 0 3 248.370 3.448 20 0 BGADHN CCOCCCN(C)Cc1cccc(Cl)c1 ZINC000158381056 345326111 /nfs/dbraw/zinc/32/61/11/345326111.db2.gz DEFHMYQYPLZBJD-UHFFFAOYSA-N 0 3 241.762 3.198 20 0 BGADHN c1cncc(CN2CCC3(CCCC3)CC2)c1 ZINC000158383880 384224121 /nfs/dbraw/zinc/22/41/21/384224121.db2.gz QZUJHXOOTDRIOY-UHFFFAOYSA-N 0 3 230.355 3.238 20 0 BGADHN Cc1nc2ccccn2c1CN(C(C)C)C1CC1 ZINC000158397620 345328782 /nfs/dbraw/zinc/32/87/82/345328782.db2.gz RBBCCAZDJFCUQG-UHFFFAOYSA-N 0 3 243.354 3.016 20 0 BGADHN CN(CCC1CCCC1)Cc1ccco1 ZINC000158410042 345330764 /nfs/dbraw/zinc/33/07/64/345330764.db2.gz NKLBOXWQGLENAG-UHFFFAOYSA-N 0 3 207.317 3.292 20 0 BGADHN Cc1cc(C)cc([C@@H](C)NCc2ccn(C)c2)c1 ZINC000158440513 384229943 /nfs/dbraw/zinc/22/99/43/384229943.db2.gz ULDJDRWDXSRMKV-CQSZACIVSA-N 0 3 242.366 3.493 20 0 BGADHN Cc1cc(C)cc([C@H](C)NCc2ccn(C)c2)c1 ZINC000158440665 384232055 /nfs/dbraw/zinc/23/20/55/384232055.db2.gz ULDJDRWDXSRMKV-AWEZNQCLSA-N 0 3 242.366 3.493 20 0 BGADHN Cc1cccc2c1CC[C@@H]2NCc1ccn(C)c1 ZINC000158464522 326323515 /nfs/dbraw/zinc/32/35/15/326323515.db2.gz UBUXUOWASIPPOT-INIZCTEOSA-N 0 3 240.350 3.111 20 0 BGADHN Cc1cccc2c1CC[C@H]2NCc1ccn(C)c1 ZINC000158464672 326323406 /nfs/dbraw/zinc/32/34/06/326323406.db2.gz UBUXUOWASIPPOT-MRXNPFEDSA-N 0 3 240.350 3.111 20 0 BGADHN Cc1cccc([C@@H](C)NCc2ccn(C)c2)c1C ZINC000158472452 179183476 /nfs/dbraw/zinc/18/34/76/179183476.db2.gz KQIWETDYHFAYDE-CQSZACIVSA-N 0 3 242.366 3.493 20 0 BGADHN Cc1cccc([C@H](C)NCc2ccn(C)c2)c1C ZINC000158472603 179195765 /nfs/dbraw/zinc/19/57/65/179195765.db2.gz KQIWETDYHFAYDE-AWEZNQCLSA-N 0 3 242.366 3.493 20 0 BGADHN CCOCCCN(C)Cc1ccc(Cl)s1 ZINC000158474162 387950693 /nfs/dbraw/zinc/95/06/93/387950693.db2.gz SWICTHSIPCAHJO-UHFFFAOYSA-N 0 3 247.791 3.260 20 0 BGADHN CCC[C@H](NCCc1ccco1)c1ccccn1 ZINC000158478722 326324220 /nfs/dbraw/zinc/32/42/20/326324220.db2.gz DSSCCURIRVSXQM-AWEZNQCLSA-N 0 3 244.338 3.348 20 0 BGADHN CCC[C@@H](NCCc1ccco1)c1ccccn1 ZINC000158478861 326324013 /nfs/dbraw/zinc/32/40/13/326324013.db2.gz DSSCCURIRVSXQM-CQSZACIVSA-N 0 3 244.338 3.348 20 0 BGADHN C[C@@H](c1ccccc1)N(C)CCOCC1CC1 ZINC000158492037 176020197 /nfs/dbraw/zinc/02/01/97/176020197.db2.gz CTHBTTOIUZZEFR-ZDUSSCGKSA-N 0 3 233.355 3.106 20 0 BGADHN C[C@H](c1ccccc1)N(C)CCOCC1CC1 ZINC000158492177 177038042 /nfs/dbraw/zinc/03/80/42/177038042.db2.gz CTHBTTOIUZZEFR-CYBMUJFWSA-N 0 3 233.355 3.106 20 0 BGADHN C[C@@H]1Cc2ccccc2[C@@H]1NCc1ccn(C)c1 ZINC000158502578 384237274 /nfs/dbraw/zinc/23/72/74/384237274.db2.gz DUQFYLVZBHMWOA-MLGOLLRUSA-N 0 3 240.350 3.048 20 0 BGADHN C[C@H]1Cc2ccccc2[C@@H]1NCc1ccn(C)c1 ZINC000158502719 177391734 /nfs/dbraw/zinc/39/17/34/177391734.db2.gz DUQFYLVZBHMWOA-BLLLJJGKSA-N 0 3 240.350 3.048 20 0 BGADHN C[C@@H]1Cc2ccccc2[C@H]1NCc1ccn(C)c1 ZINC000158502858 384236924 /nfs/dbraw/zinc/23/69/24/384236924.db2.gz DUQFYLVZBHMWOA-WBMJQRKESA-N 0 3 240.350 3.048 20 0 BGADHN C[C@H]1Cc2ccccc2[C@H]1NCc1ccn(C)c1 ZINC000158503005 177391470 /nfs/dbraw/zinc/39/14/70/177391470.db2.gz DUQFYLVZBHMWOA-LRDDRELGSA-N 0 3 240.350 3.048 20 0 BGADHN Cc1ccc([C@@H](C)NCc2ccn(C)c2)cc1C ZINC000158506522 384237096 /nfs/dbraw/zinc/23/70/96/384237096.db2.gz JNIXANHPDCSAJU-CQSZACIVSA-N 0 3 242.366 3.493 20 0 BGADHN Cc1ccc([C@H](C)NCc2ccn(C)c2)cc1C ZINC000158506673 384236397 /nfs/dbraw/zinc/23/63/97/384236397.db2.gz JNIXANHPDCSAJU-AWEZNQCLSA-N 0 3 242.366 3.493 20 0 BGADHN Cc1ccc2c(c1)[C@H](NCc1ccn(C)c1)CC2 ZINC000158547012 384244383 /nfs/dbraw/zinc/24/43/83/384244383.db2.gz ZGYYMGXKMMIIKE-MRXNPFEDSA-N 0 3 240.350 3.111 20 0 BGADHN Cc1ccc2c(c1)[C@@H](NCc1ccn(C)c1)CC2 ZINC000158547168 384242261 /nfs/dbraw/zinc/24/22/61/384242261.db2.gz ZGYYMGXKMMIIKE-INIZCTEOSA-N 0 3 240.350 3.111 20 0 BGADHN C[C@@H](CC(F)(F)F)N[C@@H](C)c1cccnc1 ZINC000158566529 387958041 /nfs/dbraw/zinc/95/80/41/387958041.db2.gz GRZBKEYYOUWGTP-IUCAKERBSA-N 0 3 232.249 3.073 20 0 BGADHN C[C@H](CC(F)(F)F)N[C@@H](C)c1cccnc1 ZINC000158566666 387957737 /nfs/dbraw/zinc/95/77/37/387957737.db2.gz GRZBKEYYOUWGTP-BDAKNGLRSA-N 0 3 232.249 3.073 20 0 BGADHN C[C@@H](N[C@@H](C)CC(F)(F)F)c1cccnc1 ZINC000158566759 387958399 /nfs/dbraw/zinc/95/83/99/387958399.db2.gz GRZBKEYYOUWGTP-DTWKUNHWSA-N 0 3 232.249 3.073 20 0 BGADHN C[C@H](CC(F)(F)F)N[C@H](C)c1cccnc1 ZINC000158566894 387957903 /nfs/dbraw/zinc/95/79/03/387957903.db2.gz GRZBKEYYOUWGTP-RKDXNWHRSA-N 0 3 232.249 3.073 20 0 BGADHN CCc1ccc([C@@H](C)NCc2ccn(C)c2)s1 ZINC000158583975 384246346 /nfs/dbraw/zinc/24/63/46/384246346.db2.gz HNEUMPSFVYMZHL-LLVKDONJSA-N 0 3 248.395 3.500 20 0 BGADHN CCc1ccc([C@H](C)NCc2ccn(C)c2)s1 ZINC000158584110 384246423 /nfs/dbraw/zinc/24/64/23/384246423.db2.gz HNEUMPSFVYMZHL-NSHDSACASA-N 0 3 248.395 3.500 20 0 BGADHN CCC[C@H](NCC[C@H]1CCCO1)c1ccccn1 ZINC000158586637 538865089 /nfs/dbraw/zinc/86/50/89/538865089.db2.gz APHICJIDJBSFOG-KGLIPLIRSA-N 0 3 248.370 3.082 20 0 BGADHN CCC[C@@H](NCC[C@H]1CCCO1)c1ccccn1 ZINC000158586706 538865038 /nfs/dbraw/zinc/86/50/38/538865038.db2.gz APHICJIDJBSFOG-ZIAGYGMSSA-N 0 3 248.370 3.082 20 0 BGADHN COCCN1CCCCC[C@H]1c1ccc(C)o1 ZINC000158649272 174304728 /nfs/dbraw/zinc/30/47/28/174304728.db2.gz YAYMBOLJBQRBEM-ZDUSSCGKSA-N 0 3 237.343 3.152 20 0 BGADHN COCCN1CCCCC[C@@H]1c1ccc(C)o1 ZINC000158649423 174305094 /nfs/dbraw/zinc/30/50/94/174305094.db2.gz YAYMBOLJBQRBEM-CYBMUJFWSA-N 0 3 237.343 3.152 20 0 BGADHN COc1cccc(CN[C@@H](C)CC(F)(F)F)c1 ZINC000158663572 387959174 /nfs/dbraw/zinc/95/91/74/387959174.db2.gz ILNOYLWQDVDUEY-VIFPVBQESA-N 0 3 247.260 3.126 20 0 BGADHN COc1cccc(CN[C@H](C)CC(F)(F)F)c1 ZINC000158663694 387960862 /nfs/dbraw/zinc/96/08/62/387960862.db2.gz ILNOYLWQDVDUEY-SECBINFHSA-N 0 3 247.260 3.126 20 0 BGADHN CCN(Cc1ccn(C)c1)Cc1ccccc1 ZINC000158687656 346400302 /nfs/dbraw/zinc/40/03/02/346400302.db2.gz JMQZRPMTYQLVTA-UHFFFAOYSA-N 0 3 228.339 3.047 20 0 BGADHN Cc1ccc(C(=O)CCN(C(C)C)C2CC2)cc1 ZINC000158690815 345364298 /nfs/dbraw/zinc/36/42/98/345364298.db2.gz ZFZFZUBXQLRJDT-UHFFFAOYSA-N 0 3 245.366 3.441 20 0 BGADHN CCN(Cc1ccccc1)Cc1cccnc1C ZINC000158694637 326337960 /nfs/dbraw/zinc/33/79/60/326337960.db2.gz NPBFPLDFIZIYJF-UHFFFAOYSA-N 0 3 240.350 3.412 20 0 BGADHN CC(C)c1ncc(CN(C)C(C)C)s1 ZINC000158703573 326338773 /nfs/dbraw/zinc/33/87/73/326338773.db2.gz UYFPFEIOLCHWDV-UHFFFAOYSA-N 0 3 212.362 3.107 20 0 BGADHN CC(C)N(C)Cc1ccc(OC(F)F)c(F)c1 ZINC000158703746 188158720 /nfs/dbraw/zinc/15/87/20/188158720.db2.gz MQZYFDPJFUZVDO-UHFFFAOYSA-N 0 3 247.260 3.267 20 0 BGADHN Cc1nn(-c2ccccc2)cc1CN(C)C(C)C ZINC000158705030 180330226 /nfs/dbraw/zinc/33/02/26/180330226.db2.gz LLHKMQIDJRLNNF-UHFFFAOYSA-N 0 3 243.354 3.021 20 0 BGADHN CC(C)N(C)Cc1ccc(F)c(Cl)c1 ZINC000158712377 323073596 /nfs/dbraw/zinc/07/35/96/323073596.db2.gz XHIAPZMBSWNXTO-UHFFFAOYSA-N 0 3 215.699 3.319 20 0 BGADHN CC(C)N(C)Cc1cccc2c1OC(C)(C)C2 ZINC000158716109 326340419 /nfs/dbraw/zinc/34/04/19/326340419.db2.gz XRUMFFROTMUKRG-UHFFFAOYSA-N 0 3 233.355 3.240 20 0 BGADHN Cc1ncc(CN(C)C(C)C)n1-c1ccccc1 ZINC000158721461 180137663 /nfs/dbraw/zinc/13/76/63/180137663.db2.gz DYDWYCYXNBXLGI-UHFFFAOYSA-N 0 3 243.354 3.021 20 0 BGADHN CC(C)N(C)Cc1ccccc1OCC1CC1 ZINC000158731666 326341248 /nfs/dbraw/zinc/34/12/48/326341248.db2.gz FQNHVMKZVFHINI-UHFFFAOYSA-N 0 3 233.355 3.316 20 0 BGADHN CC(C)N(C)Cc1cnc(C(C)(C)C)s1 ZINC000158731808 326341262 /nfs/dbraw/zinc/34/12/62/326341262.db2.gz ONLNXQRWDKIOJL-UHFFFAOYSA-N 0 3 226.389 3.281 20 0 BGADHN CC(C)N(C)Cc1cnc(C2CCC2)s1 ZINC000158737644 326341320 /nfs/dbraw/zinc/34/13/20/326341320.db2.gz RCZNWHBORRDSIX-UHFFFAOYSA-N 0 3 224.373 3.251 20 0 BGADHN CC(C)N(C)Cc1cnc(-c2ccccn2)s1 ZINC000158743403 326341685 /nfs/dbraw/zinc/34/16/85/326341685.db2.gz LVJCORSHXKFFKV-UHFFFAOYSA-N 0 3 247.367 3.045 20 0 BGADHN CC(C)Cc1ncc(CN(C)C(C)C)s1 ZINC000158744266 188516174 /nfs/dbraw/zinc/51/61/74/188516174.db2.gz PFQRZJVBMFWXQQ-UHFFFAOYSA-N 0 3 226.389 3.182 20 0 BGADHN CC(C)CCn1cccc1CN(C)C(C)C ZINC000158745077 326341985 /nfs/dbraw/zinc/34/19/85/326341985.db2.gz XJQKYBCRDUWJJL-UHFFFAOYSA-N 0 3 222.376 3.374 20 0 BGADHN CCC[C@H](NC[C@@H]1CCCCO1)c1ccccn1 ZINC000158816426 326344111 /nfs/dbraw/zinc/34/41/11/326344111.db2.gz VDKJGRDIXRRUID-KBPBESRZSA-N 0 3 248.370 3.082 20 0 BGADHN CCC[C@@H](NC[C@@H]1CCCCO1)c1ccccn1 ZINC000158816579 326344030 /nfs/dbraw/zinc/34/40/30/326344030.db2.gz VDKJGRDIXRRUID-UONOGXRCSA-N 0 3 248.370 3.082 20 0 BGADHN CCC[C@H](NC[C@H]1CCCCO1)c1ccccn1 ZINC000158816714 326344046 /nfs/dbraw/zinc/34/40/46/326344046.db2.gz VDKJGRDIXRRUID-KGLIPLIRSA-N 0 3 248.370 3.082 20 0 BGADHN CCC[C@@H](NC[C@H]1CCCCO1)c1ccccn1 ZINC000158816847 326344072 /nfs/dbraw/zinc/34/40/72/326344072.db2.gz VDKJGRDIXRRUID-ZIAGYGMSSA-N 0 3 248.370 3.082 20 0 BGADHN CCCn1nc(C)c(CN2CCC(C)CC2)c1C ZINC000158844882 326344565 /nfs/dbraw/zinc/34/45/65/326344565.db2.gz RGIAGJFTVNQBDB-UHFFFAOYSA-N 0 3 249.402 3.142 20 0 BGADHN CC(C)c1ncc(CN2CCC(C)CC2)s1 ZINC000158845814 326344366 /nfs/dbraw/zinc/34/43/66/326344366.db2.gz VOPUEOHASNEKQJ-UHFFFAOYSA-N 0 3 238.400 3.498 20 0 BGADHN CCc1ccc(CN2CCC(C)CC2)o1 ZINC000158855425 326344871 /nfs/dbraw/zinc/34/48/71/326344871.db2.gz FDSPBDKOOIEIPA-UHFFFAOYSA-N 0 3 207.317 3.074 20 0 BGADHN Cc1nc([C@@H](C)NC[C@@H](C)C2CC2)cs1 ZINC000158855440 538869272 /nfs/dbraw/zinc/86/92/72/538869272.db2.gz KZGPCVBUQMVNBC-RKDXNWHRSA-N 0 3 224.373 3.148 20 0 BGADHN Cc1nc([C@H](C)NC[C@@H](C)C2CC2)cs1 ZINC000158855565 538869565 /nfs/dbraw/zinc/86/95/65/538869565.db2.gz KZGPCVBUQMVNBC-BDAKNGLRSA-N 0 3 224.373 3.148 20 0 BGADHN Cc1nc([C@@H](C)NC[C@H](C)C2CC2)cs1 ZINC000158855699 538869445 /nfs/dbraw/zinc/86/94/45/538869445.db2.gz KZGPCVBUQMVNBC-DTWKUNHWSA-N 0 3 224.373 3.148 20 0 BGADHN Cc1nc([C@H](C)NC[C@H](C)C2CC2)cs1 ZINC000158855828 538869769 /nfs/dbraw/zinc/86/97/69/538869769.db2.gz KZGPCVBUQMVNBC-IUCAKERBSA-N 0 3 224.373 3.148 20 0 BGADHN CC1CCN(CC2=Cc3ccccc3OC2)CC1 ZINC000158857726 326344789 /nfs/dbraw/zinc/34/47/89/326344789.db2.gz WTKNHUNHABGKAZ-UHFFFAOYSA-N 0 3 243.350 3.194 20 0 BGADHN CSCCCCN[C@H](C)c1csc(C)n1 ZINC000158860534 345384142 /nfs/dbraw/zinc/38/41/42/345384142.db2.gz NPLVDJSRHLTOOC-SECBINFHSA-N 0 3 244.429 3.245 20 0 BGADHN CSCCCCN[C@@H](C)c1csc(C)n1 ZINC000158860700 361213672 /nfs/dbraw/zinc/21/36/72/361213672.db2.gz NPLVDJSRHLTOOC-VIFPVBQESA-N 0 3 244.429 3.245 20 0 BGADHN CSCC[C@H](C)N[C@H](C)c1csc(C)n1 ZINC000158861415 641654710 /nfs/dbraw/zinc/65/47/10/641654710.db2.gz UAPBAACCTWEPLN-DTWKUNHWSA-N 0 3 244.429 3.244 20 0 BGADHN CSCC[C@H](C)N[C@@H](C)c1csc(C)n1 ZINC000158861535 641655540 /nfs/dbraw/zinc/65/55/40/641655540.db2.gz UAPBAACCTWEPLN-IUCAKERBSA-N 0 3 244.429 3.244 20 0 BGADHN CSCC[C@@H](C)N[C@H](C)c1csc(C)n1 ZINC000158861662 641653756 /nfs/dbraw/zinc/65/37/56/641653756.db2.gz UAPBAACCTWEPLN-RKDXNWHRSA-N 0 3 244.429 3.244 20 0 BGADHN CSCC[C@@H](C)N[C@@H](C)c1csc(C)n1 ZINC000158861797 641655143 /nfs/dbraw/zinc/65/51/43/641655143.db2.gz UAPBAACCTWEPLN-BDAKNGLRSA-N 0 3 244.429 3.244 20 0 BGADHN CSC(C)(C)CN[C@H](C)c1csc(C)n1 ZINC000158865854 641655570 /nfs/dbraw/zinc/65/55/70/641655570.db2.gz QRUJUBYAFDIMHJ-MRVPVSSYSA-N 0 3 244.429 3.244 20 0 BGADHN CSC(C)(C)CN[C@@H](C)c1csc(C)n1 ZINC000158865987 641653621 /nfs/dbraw/zinc/65/36/21/641653621.db2.gz QRUJUBYAFDIMHJ-QMMMGPOBSA-N 0 3 244.429 3.244 20 0 BGADHN CC1CCN(Cc2cnc(C3CC3)s2)CC1 ZINC000158867639 326344974 /nfs/dbraw/zinc/34/49/74/326344974.db2.gz WBIZXZXRGTZYFZ-UHFFFAOYSA-N 0 3 236.384 3.252 20 0 BGADHN Cc1nc([C@@H](C)NC2CC=CC2)c(C)s1 ZINC000158876926 538869180 /nfs/dbraw/zinc/86/91/80/538869180.db2.gz OGLXDSOVCHCVRI-MRVPVSSYSA-N 0 3 222.357 3.129 20 0 BGADHN Cc1nc([C@H](C)NC2CC=CC2)c(C)s1 ZINC000158877048 538869744 /nfs/dbraw/zinc/86/97/44/538869744.db2.gz OGLXDSOVCHCVRI-QMMMGPOBSA-N 0 3 222.357 3.129 20 0 BGADHN c1ccc(CN(CCOCC2CC2)C2CC2)cc1 ZINC000158881691 387968753 /nfs/dbraw/zinc/96/87/53/387968753.db2.gz GSYKZBBDAJUATM-UHFFFAOYSA-N 0 3 245.366 3.078 20 0 BGADHN C[C@H](NCCCOC1CCCC1)c1ccccn1 ZINC000158889782 384285959 /nfs/dbraw/zinc/28/59/59/384285959.db2.gz ZDMXPAPXPWRWFY-ZDUSSCGKSA-N 0 3 248.370 3.082 20 0 BGADHN C[C@@H](NCCCOC1CCCC1)c1ccccn1 ZINC000158889899 384284499 /nfs/dbraw/zinc/28/44/99/384284499.db2.gz ZDMXPAPXPWRWFY-CYBMUJFWSA-N 0 3 248.370 3.082 20 0 BGADHN c1coc(CNCC2(Cc3ccccc3)CC2)c1 ZINC000158898725 326345781 /nfs/dbraw/zinc/34/57/81/326345781.db2.gz IPLUFEHHJLNCHD-UHFFFAOYSA-N 0 3 241.334 3.392 20 0 BGADHN CCSCCN(C)Cc1ccc(F)c(F)c1 ZINC000158908882 326345838 /nfs/dbraw/zinc/34/58/38/326345838.db2.gz WWURIMGOQZUQDZ-UHFFFAOYSA-N 0 3 245.338 3.150 20 0 BGADHN COc1ccc(CN2CCCC[C@H]2C)c(OC)c1 ZINC000158919374 326346150 /nfs/dbraw/zinc/34/61/50/326346150.db2.gz UMPSCIAOIFNADW-GFCCVEGCSA-N 0 3 249.354 3.078 20 0 BGADHN COc1ccc(CN2CCCC[C@@H]2C)c(OC)c1 ZINC000158919515 326346387 /nfs/dbraw/zinc/34/63/87/326346387.db2.gz UMPSCIAOIFNADW-LBPRGKRZSA-N 0 3 249.354 3.078 20 0 BGADHN Cc1ccn2c(CN3CCCC[C@@H]3C)cnc2c1 ZINC000158931701 326346166 /nfs/dbraw/zinc/34/61/66/326346166.db2.gz OTUYCKRWXLRAQV-ZDUSSCGKSA-N 0 3 243.354 3.017 20 0 BGADHN Cc1ccn2c(CN3CCCC[C@H]3C)cnc2c1 ZINC000158931840 326346202 /nfs/dbraw/zinc/34/62/02/326346202.db2.gz OTUYCKRWXLRAQV-CYBMUJFWSA-N 0 3 243.354 3.017 20 0 BGADHN COc1cc(CN2CCCC[C@H]2C)cc(OC)c1 ZINC000158933561 326346281 /nfs/dbraw/zinc/34/62/81/326346281.db2.gz PKZVGEXRJMQXME-GFCCVEGCSA-N 0 3 249.354 3.078 20 0 BGADHN COc1cc(CN2CCCC[C@@H]2C)cc(OC)c1 ZINC000158933700 326346238 /nfs/dbraw/zinc/34/62/38/326346238.db2.gz PKZVGEXRJMQXME-LBPRGKRZSA-N 0 3 249.354 3.078 20 0 BGADHN CCc1ccc(CN2CCCC[C@@H]2C)o1 ZINC000158933861 326346220 /nfs/dbraw/zinc/34/62/20/326346220.db2.gz KGCRTCOCCXJOHH-NSHDSACASA-N 0 3 207.317 3.216 20 0 BGADHN CCc1ccc(CN2CCCC[C@H]2C)o1 ZINC000158934029 326346316 /nfs/dbraw/zinc/34/63/16/326346316.db2.gz KGCRTCOCCXJOHH-LLVKDONJSA-N 0 3 207.317 3.216 20 0 BGADHN C[C@@H]1CCCCN1CC1=Cc2ccccc2OC1 ZINC000158936968 326346145 /nfs/dbraw/zinc/34/61/45/326346145.db2.gz DBNAIXIIAGYXBE-CYBMUJFWSA-N 0 3 243.350 3.337 20 0 BGADHN C[C@H]1CCCCN1CC1=Cc2ccccc2OC1 ZINC000158937118 326346210 /nfs/dbraw/zinc/34/62/10/326346210.db2.gz DBNAIXIIAGYXBE-ZDUSSCGKSA-N 0 3 243.350 3.337 20 0 BGADHN COc1cccc(CN2CCCC[C@H]2C)c1OC ZINC000158937618 175258620 /nfs/dbraw/zinc/25/86/20/175258620.db2.gz MTCGKQSYUAPOBA-GFCCVEGCSA-N 0 3 249.354 3.078 20 0 BGADHN COc1cccc(CN2CCCC[C@@H]2C)c1OC ZINC000158937728 175257210 /nfs/dbraw/zinc/25/72/10/175257210.db2.gz MTCGKQSYUAPOBA-LBPRGKRZSA-N 0 3 249.354 3.078 20 0 BGADHN Cc1cccn2c(CN3CCCC[C@@H]3C)cnc12 ZINC000158939111 326346593 /nfs/dbraw/zinc/34/65/93/326346593.db2.gz JNGVDNMRBOTGTI-ZDUSSCGKSA-N 0 3 243.354 3.017 20 0 BGADHN Cc1cccn2c(CN3CCCC[C@H]3C)cnc12 ZINC000158939229 326346694 /nfs/dbraw/zinc/34/66/94/326346694.db2.gz JNGVDNMRBOTGTI-CYBMUJFWSA-N 0 3 243.354 3.017 20 0 BGADHN C[C@@H]1CCCCN1Cc1cnc(C2CC2)s1 ZINC000158949662 344474870 /nfs/dbraw/zinc/47/48/70/344474870.db2.gz WIDSQEASUDWVCH-SNVBAGLBSA-N 0 3 236.384 3.395 20 0 BGADHN C[C@H]1CCCCN1Cc1cnc(C2CC2)s1 ZINC000158949794 344474713 /nfs/dbraw/zinc/47/47/13/344474713.db2.gz WIDSQEASUDWVCH-JTQLQIEISA-N 0 3 236.384 3.395 20 0 BGADHN C[C@@H]1CCCCN1Cc1cnn(C(C)(C)C)c1 ZINC000158953237 326345359 /nfs/dbraw/zinc/34/53/59/326345359.db2.gz LJOAEVWQNFYGKV-GFCCVEGCSA-N 0 3 235.375 3.013 20 0 BGADHN C[C@H]1CCCCN1Cc1cnn(C(C)(C)C)c1 ZINC000158953375 326346772 /nfs/dbraw/zinc/34/67/72/326346772.db2.gz LJOAEVWQNFYGKV-LBPRGKRZSA-N 0 3 235.375 3.013 20 0 BGADHN Cc1ccc2ncc(CN3CCCC[C@@H]3C)n2c1 ZINC000158955322 384292090 /nfs/dbraw/zinc/29/20/90/384292090.db2.gz JUMLAKCHRVJMGC-ZDUSSCGKSA-N 0 3 243.354 3.017 20 0 BGADHN Cc1ccc2ncc(CN3CCCC[C@H]3C)n2c1 ZINC000158955488 384292127 /nfs/dbraw/zinc/29/21/27/384292127.db2.gz JUMLAKCHRVJMGC-CYBMUJFWSA-N 0 3 243.354 3.017 20 0 BGADHN CCOCCCN(Cc1cccs1)C1CC1 ZINC000158956953 387976948 /nfs/dbraw/zinc/97/69/48/387976948.db2.gz JFNBIWAXKSDNHJ-UHFFFAOYSA-N 0 3 239.384 3.139 20 0 BGADHN CCCCN(CC)Cc1ccc(COC)o1 ZINC000158970348 384293923 /nfs/dbraw/zinc/29/39/23/384293923.db2.gz ULUKBDOJDOLYMY-UHFFFAOYSA-N 0 3 225.332 3.048 20 0 BGADHN CCCCN(CC)Cc1c(C)nn(CC)c1C ZINC000158974833 326346958 /nfs/dbraw/zinc/34/69/58/326346958.db2.gz CCUZYJIFSRLVPT-UHFFFAOYSA-N 0 3 237.391 3.142 20 0 BGADHN CCCCN(CC)Cc1cnc2cc(C)ccn12 ZINC000158975146 343657077 /nfs/dbraw/zinc/65/70/77/343657077.db2.gz ZWOMYJKBQARNQK-UHFFFAOYSA-N 0 3 245.370 3.265 20 0 BGADHN CCCCN(CC)Cc1cccc(OCC)n1 ZINC000158977046 343657100 /nfs/dbraw/zinc/65/71/00/343657100.db2.gz ZLUZIGWSQZICCL-UHFFFAOYSA-N 0 3 236.359 3.102 20 0 BGADHN CCCCN(CC)Cc1cnc2c(C)cccn12 ZINC000158978280 326347267 /nfs/dbraw/zinc/34/72/67/326347267.db2.gz YKSZAGDDPBAZLT-UHFFFAOYSA-N 0 3 245.370 3.265 20 0 BGADHN CCCCN(CC)Cc1c[nH]nc1C(C)(C)C ZINC000158979240 326346980 /nfs/dbraw/zinc/34/69/80/326346980.db2.gz FEDAOSHUPLGTRN-UHFFFAOYSA-N 0 3 237.391 3.329 20 0 BGADHN CCCCN(CC)Cc1cccnc1C ZINC000158982185 326345458 /nfs/dbraw/zinc/34/54/58/326345458.db2.gz WIRSZQYOPBVPIW-UHFFFAOYSA-N 0 3 206.333 3.012 20 0 BGADHN CCCCN(CC)Cc1ccccc1NC(C)=O ZINC000158982340 384296239 /nfs/dbraw/zinc/29/62/39/384296239.db2.gz YINHRYCPRDGOGU-UHFFFAOYSA-N 0 3 248.370 3.267 20 0 BGADHN CCCCN(CC)Cc1scnc1C ZINC000158982503 384294355 /nfs/dbraw/zinc/29/43/55/384294355.db2.gz WTSZIGUHSALGEH-UHFFFAOYSA-N 0 3 212.362 3.074 20 0 BGADHN CCCCN(CC)Cc1cnn(C(C)(C)C)c1 ZINC000158985295 326347271 /nfs/dbraw/zinc/34/72/71/326347271.db2.gz BVTLXTBLVJALJN-UHFFFAOYSA-N 0 3 237.391 3.260 20 0 BGADHN CCCCN(CC)Cc1cnc2ccc(C)cn12 ZINC000158986188 326347242 /nfs/dbraw/zinc/34/72/42/326347242.db2.gz XFGUJFVWFQSNGW-UHFFFAOYSA-N 0 3 245.370 3.265 20 0 BGADHN COc1cccc(CCN[C@@H](C)c2ccco2)c1 ZINC000158987453 175252673 /nfs/dbraw/zinc/25/26/73/175252673.db2.gz HNNILKDCBLNXFX-LBPRGKRZSA-N 0 3 245.322 3.182 20 0 BGADHN COc1cccc(CCN[C@H](C)c2ccco2)c1 ZINC000158987574 175252736 /nfs/dbraw/zinc/25/27/36/175252736.db2.gz HNNILKDCBLNXFX-GFCCVEGCSA-N 0 3 245.322 3.182 20 0 BGADHN Cc1nc([C@H](C)NC[C@@H]2C[C@@H]2C)c(C)s1 ZINC000159058794 538873784 /nfs/dbraw/zinc/87/37/84/538873784.db2.gz OVCOSHNQZRCREG-LAEOZQHASA-N 0 3 224.373 3.067 20 0 BGADHN Cc1nc([C@H](C)NC[C@H]2C[C@@H]2C)c(C)s1 ZINC000159059112 538872813 /nfs/dbraw/zinc/87/28/13/538872813.db2.gz OVCOSHNQZRCREG-DKCNOQQISA-N 0 3 224.373 3.067 20 0 BGADHN Cc1nc([C@@H](C)NC[C@@H](C)C2CC2)c(C)s1 ZINC000159059254 538872759 /nfs/dbraw/zinc/87/27/59/538872759.db2.gz OHDSBHPOLGCGLY-RKDXNWHRSA-N 0 3 238.400 3.457 20 0 BGADHN Cc1nc([C@H](C)NC[C@@H](C)C2CC2)c(C)s1 ZINC000159059398 538873268 /nfs/dbraw/zinc/87/32/68/538873268.db2.gz OHDSBHPOLGCGLY-BDAKNGLRSA-N 0 3 238.400 3.457 20 0 BGADHN Cc1nc([C@@H](C)NC[C@H](C)C2CC2)c(C)s1 ZINC000159059557 538873548 /nfs/dbraw/zinc/87/35/48/538873548.db2.gz OHDSBHPOLGCGLY-DTWKUNHWSA-N 0 3 238.400 3.457 20 0 BGADHN Cc1nc([C@H](C)NC[C@H](C)C2CC2)c(C)s1 ZINC000159059687 538872970 /nfs/dbraw/zinc/87/29/70/538872970.db2.gz OHDSBHPOLGCGLY-IUCAKERBSA-N 0 3 238.400 3.457 20 0 BGADHN Cc1noc(C)c1CN(C)CCC1CCCC1 ZINC000159108252 641666551 /nfs/dbraw/zinc/66/65/51/641666551.db2.gz XZZODAWGNZOTFA-UHFFFAOYSA-N 0 3 236.359 3.304 20 0 BGADHN CC(C)N(Cc1cncs1)C1CCCC1 ZINC000159119749 538874529 /nfs/dbraw/zinc/87/45/29/538874529.db2.gz RSEYASLXLIHMIE-UHFFFAOYSA-N 0 3 224.373 3.296 20 0 BGADHN CCOC(C)(C)CNCc1ccc(C)c(F)c1 ZINC000159158730 170312326 /nfs/dbraw/zinc/31/23/26/170312326.db2.gz RHXYHZVWAGLUQD-UHFFFAOYSA-N 0 3 239.334 3.039 20 0 BGADHN CCOC(C)(C)CN[C@@H](C)c1ccccc1F ZINC000159195981 170314108 /nfs/dbraw/zinc/31/41/08/170314108.db2.gz MKRPZMZDYCTPJL-NSHDSACASA-N 0 3 239.334 3.291 20 0 BGADHN CCOC(C)(C)CN[C@H](C)c1ccccc1F ZINC000159196111 170313316 /nfs/dbraw/zinc/31/33/16/170313316.db2.gz MKRPZMZDYCTPJL-LLVKDONJSA-N 0 3 239.334 3.291 20 0 BGADHN CCOC(C)(C)CNCc1ccc(F)c(C)c1 ZINC000159219307 170312566 /nfs/dbraw/zinc/31/25/66/170312566.db2.gz VEEMBOGTDLVXPR-UHFFFAOYSA-N 0 3 239.334 3.039 20 0 BGADHN CCOC(C)(C)CN[C@@H](C)c1cccc(F)c1 ZINC000159220173 170313859 /nfs/dbraw/zinc/31/38/59/170313859.db2.gz OONCVACIHVCBQS-NSHDSACASA-N 0 3 239.334 3.291 20 0 BGADHN CCOC(C)(C)CN[C@H](C)c1cccc(F)c1 ZINC000159220322 170313705 /nfs/dbraw/zinc/31/37/05/170313705.db2.gz OONCVACIHVCBQS-LLVKDONJSA-N 0 3 239.334 3.291 20 0 BGADHN CCOC(C)(C)CNCc1cc2ccccc2o1 ZINC000159237905 170312574 /nfs/dbraw/zinc/31/25/74/170312574.db2.gz SDKZVOMMFUFGDC-UHFFFAOYSA-N 0 3 247.338 3.338 20 0 BGADHN CCOC(C)(C)CNCc1coc2ccccc12 ZINC000159248172 345420013 /nfs/dbraw/zinc/42/00/13/345420013.db2.gz QWZRHEQMDAJYDZ-UHFFFAOYSA-N 0 3 247.338 3.338 20 0 BGADHN CCOC(C)(C)CN[C@@H](C)c1cc(C)oc1C ZINC000159252196 170313548 /nfs/dbraw/zinc/31/35/48/170313548.db2.gz MUHNRXGOWCHENG-NSHDSACASA-N 0 3 239.359 3.362 20 0 BGADHN CCOC(C)(C)CN[C@H](C)c1cc(C)oc1C ZINC000159252324 170313338 /nfs/dbraw/zinc/31/33/38/170313338.db2.gz MUHNRXGOWCHENG-LLVKDONJSA-N 0 3 239.359 3.362 20 0 BGADHN CCOC(C)(C)CN[C@@H]1CCCc2occc21 ZINC000159259863 170313530 /nfs/dbraw/zinc/31/35/30/170313530.db2.gz LNONKYFVRFJILX-GFCCVEGCSA-N 0 3 237.343 3.062 20 0 BGADHN CCOC(C)(C)CN[C@H]1CCCc2occc21 ZINC000159259967 170313749 /nfs/dbraw/zinc/31/37/49/170313749.db2.gz LNONKYFVRFJILX-LBPRGKRZSA-N 0 3 237.343 3.062 20 0 BGADHN CCSCC[C@@H](C)N[C@@H](C)c1ccccn1 ZINC000159267278 384313003 /nfs/dbraw/zinc/31/30/03/384313003.db2.gz GGHBSISKLHIZTR-NEPJUHHUSA-N 0 3 238.400 3.264 20 0 BGADHN CCSCC[C@H](C)N[C@@H](C)c1ccccn1 ZINC000159267395 384315069 /nfs/dbraw/zinc/31/50/69/384315069.db2.gz GGHBSISKLHIZTR-RYUDHWBXSA-N 0 3 238.400 3.264 20 0 BGADHN CCSCC[C@@H](C)N[C@H](C)c1ccccn1 ZINC000159267568 384315048 /nfs/dbraw/zinc/31/50/48/384315048.db2.gz GGHBSISKLHIZTR-VXGBXAGGSA-N 0 3 238.400 3.264 20 0 BGADHN CCSCC[C@H](C)N[C@H](C)c1ccccn1 ZINC000159267695 384312769 /nfs/dbraw/zinc/31/27/69/384312769.db2.gz GGHBSISKLHIZTR-NWDGAFQWSA-N 0 3 238.400 3.264 20 0 BGADHN Cc1ccc([C@@H](C)N(C)CCOCC2CC2)cc1 ZINC000159282721 345440558 /nfs/dbraw/zinc/44/05/58/345440558.db2.gz KWLRRAYSABGXOR-CQSZACIVSA-N 0 3 247.382 3.414 20 0 BGADHN Cc1ccc([C@H](C)N(C)CCOCC2CC2)cc1 ZINC000159282853 345440751 /nfs/dbraw/zinc/44/07/51/345440751.db2.gz KWLRRAYSABGXOR-AWEZNQCLSA-N 0 3 247.382 3.414 20 0 BGADHN CS[C@@H](C)CNCc1cccc(Cl)c1F ZINC000159292359 385827618 /nfs/dbraw/zinc/82/76/18/385827618.db2.gz XZEHGNNHWLVNMH-QMMMGPOBSA-N 0 3 247.766 3.320 20 0 BGADHN CS[C@H](C)CNCc1cccc(Cl)c1F ZINC000159292487 388006038 /nfs/dbraw/zinc/00/60/38/388006038.db2.gz XZEHGNNHWLVNMH-MRVPVSSYSA-N 0 3 247.766 3.320 20 0 BGADHN CCOc1c(Cl)cccc1CNC(C)C ZINC000159306601 361229753 /nfs/dbraw/zinc/22/97/53/361229753.db2.gz KMONMUUUXQOXHV-UHFFFAOYSA-N 0 3 227.735 3.237 20 0 BGADHN C[C@@H](c1cccs1)N(C)CCOCC1CC1 ZINC000159311806 206087127 /nfs/dbraw/zinc/08/71/27/206087127.db2.gz NASOGGAAOVTXGL-NSHDSACASA-N 0 3 239.384 3.168 20 0 BGADHN C[C@H](c1cccs1)N(C)CCOCC1CC1 ZINC000159311935 206088216 /nfs/dbraw/zinc/08/82/16/206088216.db2.gz NASOGGAAOVTXGL-LLVKDONJSA-N 0 3 239.384 3.168 20 0 BGADHN CCSCCN(C)[C@@H](C)c1cccs1 ZINC000159312374 170631646 /nfs/dbraw/zinc/63/16/46/170631646.db2.gz KYWTZEKHPOWDCG-JTQLQIEISA-N 0 3 229.414 3.494 20 0 BGADHN CCSCCN(C)[C@H](C)c1cccs1 ZINC000159312507 384320244 /nfs/dbraw/zinc/32/02/44/384320244.db2.gz KYWTZEKHPOWDCG-SNVBAGLBSA-N 0 3 229.414 3.494 20 0 BGADHN CCC[C@H](NCCC(F)(F)F)c1ccccn1 ZINC000159335179 384000454 /nfs/dbraw/zinc/00/04/54/384000454.db2.gz RILZJDXJVWRAMT-JTQLQIEISA-N 0 3 246.276 3.465 20 0 BGADHN CCC[C@@H](NCCC(F)(F)F)c1ccccn1 ZINC000159335315 384000880 /nfs/dbraw/zinc/00/08/80/384000880.db2.gz RILZJDXJVWRAMT-SNVBAGLBSA-N 0 3 246.276 3.465 20 0 BGADHN CCC[C@H](NC[C@]1(C)CCCO1)c1ccccn1 ZINC000159342115 383999243 /nfs/dbraw/zinc/99/92/43/383999243.db2.gz SETJHCSQEPMCKE-ZFWWWQNUSA-N 0 3 248.370 3.082 20 0 BGADHN CCC[C@@H](NC[C@]1(C)CCCO1)c1ccccn1 ZINC000159342222 322965555 /nfs/dbraw/zinc/96/55/55/322965555.db2.gz SETJHCSQEPMCKE-HIFRSBDPSA-N 0 3 248.370 3.082 20 0 BGADHN CCC[C@H](NC[C@@]1(C)CCCO1)c1ccccn1 ZINC000159342346 322965609 /nfs/dbraw/zinc/96/56/09/322965609.db2.gz SETJHCSQEPMCKE-DZGCQCFKSA-N 0 3 248.370 3.082 20 0 BGADHN CCC[C@@H](NC[C@@]1(C)CCCO1)c1ccccn1 ZINC000159342451 383999494 /nfs/dbraw/zinc/99/94/94/383999494.db2.gz SETJHCSQEPMCKE-UKRRQHHQSA-N 0 3 248.370 3.082 20 0 BGADHN C[C@H](N[C@H]1CCC(C)(C)C[C@H]1C)c1cnccn1 ZINC000159347453 176919013 /nfs/dbraw/zinc/91/90/13/176919013.db2.gz IGLNORCKXHIQMO-AGIUHOORSA-N 0 3 247.386 3.342 20 0 BGADHN C[C@H](N[C@H]1CCC(C)(C)C[C@@H]1C)c1cnccn1 ZINC000159347576 384325614 /nfs/dbraw/zinc/32/56/14/384325614.db2.gz IGLNORCKXHIQMO-AVGNSLFASA-N 0 3 247.386 3.342 20 0 BGADHN C[C@H](N[C@@H]1CCC(C)(C)C[C@H]1C)c1cnccn1 ZINC000159347712 384324961 /nfs/dbraw/zinc/32/49/61/384324961.db2.gz IGLNORCKXHIQMO-FRRDWIJNSA-N 0 3 247.386 3.342 20 0 BGADHN C[C@H](N[C@@H]1CCC(C)(C)C[C@@H]1C)c1cnccn1 ZINC000159347812 384325867 /nfs/dbraw/zinc/32/58/67/384325867.db2.gz IGLNORCKXHIQMO-RWMBFGLXSA-N 0 3 247.386 3.342 20 0 BGADHN CC(C)CNCc1cccc(F)c1OC(F)F ZINC000159379422 488023885 /nfs/dbraw/zinc/02/38/85/488023885.db2.gz XJNSFRBKNIBQFA-UHFFFAOYSA-N 0 3 247.260 3.173 20 0 BGADHN Cc1nc(C)c(CNC2CCCCCC2)o1 ZINC000159422422 346420474 /nfs/dbraw/zinc/42/04/74/346420474.db2.gz SQNKSMNTCCDZOV-UHFFFAOYSA-N 0 3 222.332 3.104 20 0 BGADHN CC(C)c1ccc(CN2CC[C@H](O)[C@H](C)C2)cc1 ZINC000159463563 345436082 /nfs/dbraw/zinc/43/60/82/345436082.db2.gz HUOYTYBTPRBTAN-CJNGLKHVSA-N 0 3 247.382 3.013 20 0 BGADHN CC(C)c1ccc(CN2CC[C@H](O)[C@@H](C)C2)cc1 ZINC000159463702 345435880 /nfs/dbraw/zinc/43/58/80/345435880.db2.gz HUOYTYBTPRBTAN-BBRMVZONSA-N 0 3 247.382 3.013 20 0 BGADHN CC(C)C[C@@H](C)[NH2+]Cc1cc([O-])cc(F)c1 ZINC000159590201 345442806 /nfs/dbraw/zinc/44/28/06/345442806.db2.gz ZXJBVWOVNKHSMP-SNVBAGLBSA-N 0 3 225.307 3.056 20 0 BGADHN CC(C)C[C@H](C)[NH2+]Cc1cc([O-])cc(F)c1 ZINC000159590339 346425967 /nfs/dbraw/zinc/42/59/67/346425967.db2.gz ZXJBVWOVNKHSMP-JTQLQIEISA-N 0 3 225.307 3.056 20 0 BGADHN CC(C)CCC[NH2+]Cc1cc([O-])cc(F)c1 ZINC000159594346 345445102 /nfs/dbraw/zinc/44/51/02/345445102.db2.gz IMALUEDASVHJSB-UHFFFAOYSA-N 0 3 225.307 3.057 20 0 BGADHN CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc([O-])cc(F)c1 ZINC000159595594 397763724 /nfs/dbraw/zinc/76/37/24/397763724.db2.gz GZOBFZSPNCNKJW-NXEZZACHSA-N 0 3 225.307 3.056 20 0 BGADHN CC[C@H](C)[C@@H](C)[NH2+]Cc1cc([O-])cc(F)c1 ZINC000159595724 345445272 /nfs/dbraw/zinc/44/52/72/345445272.db2.gz GZOBFZSPNCNKJW-VHSXEESVSA-N 0 3 225.307 3.056 20 0 BGADHN CC[C@@H](C)[C@H](C)[NH2+]Cc1cc([O-])cc(F)c1 ZINC000159595865 134782693 /nfs/dbraw/zinc/78/26/93/134782693.db2.gz GZOBFZSPNCNKJW-ZJUUUORDSA-N 0 3 225.307 3.056 20 0 BGADHN CC[C@H](C)[C@H](C)[NH2+]Cc1cc([O-])cc(F)c1 ZINC000159595991 345444925 /nfs/dbraw/zinc/44/49/25/345444925.db2.gz GZOBFZSPNCNKJW-UWVGGRQHSA-N 0 3 225.307 3.056 20 0 BGADHN CC[C@H]([NH2+]Cc1cc([O-])cc(F)c1)C(C)C ZINC000159596399 345445351 /nfs/dbraw/zinc/44/53/51/345445351.db2.gz HYCIGCBFYGBOBL-ZDUSSCGKSA-N 0 3 225.307 3.056 20 0 BGADHN CC[C@@H]([NH2+]Cc1cc([O-])cc(F)c1)C(C)C ZINC000159596544 345445015 /nfs/dbraw/zinc/44/50/15/345445015.db2.gz HYCIGCBFYGBOBL-CYBMUJFWSA-N 0 3 225.307 3.056 20 0 BGADHN CCC[C@@H](CC)[NH2+]Cc1cc([O-])cc(F)c1 ZINC000159598448 345445200 /nfs/dbraw/zinc/44/52/00/345445200.db2.gz SHXIPJCHYOXRBJ-GFCCVEGCSA-N 0 3 225.307 3.200 20 0 BGADHN CCC[C@H](CC)[NH2+]Cc1cc([O-])cc(F)c1 ZINC000159598555 345445062 /nfs/dbraw/zinc/44/50/62/345445062.db2.gz SHXIPJCHYOXRBJ-LBPRGKRZSA-N 0 3 225.307 3.200 20 0 BGADHN C[C@@H]([NH2+]Cc1cc([O-])cc(F)c1)C(C)(C)C ZINC000159614457 323040457 /nfs/dbraw/zinc/04/04/57/323040457.db2.gz YEZUQIJWWVGGHM-SECBINFHSA-N 0 3 225.307 3.056 20 0 BGADHN CCCC(C)(C)[NH2+]Cc1cc([O-])cc(F)c1 ZINC000159616795 345446579 /nfs/dbraw/zinc/44/65/79/345446579.db2.gz SRJJLGXPKYKVQU-UHFFFAOYSA-N 0 3 225.307 3.200 20 0 BGADHN CC(C)(C)CC[NH2+]Cc1cc([O-])cc(F)c1 ZINC000159626767 345450776 /nfs/dbraw/zinc/45/07/76/345450776.db2.gz ZLIPWGPHFZSLLS-UHFFFAOYSA-N 0 3 225.307 3.057 20 0 BGADHN CCC(CC)C[NH2+]Cc1cc([O-])cc(F)c1 ZINC000159626908 585025805 /nfs/dbraw/zinc/02/58/05/585025805.db2.gz FSGGJFCHZNZQRD-UHFFFAOYSA-N 0 3 225.307 3.057 20 0 BGADHN CCCCNCc1cc(Cl)cc2c1OCC2 ZINC000159741624 388029409 /nfs/dbraw/zinc/02/94/09/388029409.db2.gz YDLIXXSYJBKVDJ-UHFFFAOYSA-N 0 3 239.746 3.165 20 0 BGADHN CC[C@@H](C)NCc1cc(Cl)cc2c1OCC2 ZINC000159742026 345508689 /nfs/dbraw/zinc/50/86/89/345508689.db2.gz MVWSHEDPNPONDL-SECBINFHSA-N 0 3 239.746 3.163 20 0 BGADHN CC[C@H](C)NCc1cc(Cl)cc2c1OCC2 ZINC000159742162 345509017 /nfs/dbraw/zinc/50/90/17/345509017.db2.gz MVWSHEDPNPONDL-VIFPVBQESA-N 0 3 239.746 3.163 20 0 BGADHN CC1(NCc2cccc3c2OC(C)(C)C3)CCC1 ZINC000159922107 323054156 /nfs/dbraw/zinc/05/41/56/323054156.db2.gz FZIPFKRLTRCLED-UHFFFAOYSA-N 0 3 245.366 3.432 20 0 BGADHN CC1(NCc2cn3cc(Cl)ccc3n2)CCC1 ZINC000159925044 168064017 /nfs/dbraw/zinc/06/40/17/168064017.db2.gz DILCGTNAXYMXDY-UHFFFAOYSA-N 0 3 249.745 3.020 20 0 BGADHN CCn1c2ccccc2nc1CNC1(C)CCC1 ZINC000159927431 323054177 /nfs/dbraw/zinc/05/41/77/323054177.db2.gz ORTMQKPNUGRNTJ-UHFFFAOYSA-N 0 3 243.354 3.088 20 0 BGADHN CCCn1nccc1CNCCC1=CCCCC1 ZINC000159972701 488095176 /nfs/dbraw/zinc/09/51/76/488095176.db2.gz GZSNVPLETXNSDD-UHFFFAOYSA-N 0 3 247.386 3.273 20 0 BGADHN CC1(NCc2cc3ccccc3o2)CCC1 ZINC000159993343 388041674 /nfs/dbraw/zinc/04/16/74/388041674.db2.gz WQLOQSDBSMNLKM-UHFFFAOYSA-N 0 3 215.296 3.465 20 0 BGADHN CC(C)(C)c1ncc(CNC2(C)CCC2)s1 ZINC000159997984 538881237 /nfs/dbraw/zinc/88/12/37/538881237.db2.gz DCNRMHRKGSLFNP-UHFFFAOYSA-N 0 3 238.400 3.473 20 0 BGADHN COc1ccc(C)cc1CNC1(C)CCC1 ZINC000159999739 323057162 /nfs/dbraw/zinc/05/71/62/323057162.db2.gz LRSYXFLBBNRAEY-UHFFFAOYSA-N 0 3 219.328 3.036 20 0 BGADHN CC1(NCc2cc(F)c(F)c(F)c2)CCC1 ZINC000160004960 168063344 /nfs/dbraw/zinc/06/33/44/168063344.db2.gz MPOMMRKFVJOLJO-UHFFFAOYSA-N 0 3 229.245 3.136 20 0 BGADHN CC1(NCc2ccccc2Cl)CCC1 ZINC000160007654 323057307 /nfs/dbraw/zinc/05/73/07/323057307.db2.gz SWDVXNGLTQZHHA-UHFFFAOYSA-N 0 3 209.720 3.372 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CNC2(C)CCC2)o1 ZINC000160008558 323057304 /nfs/dbraw/zinc/05/73/04/323057304.db2.gz SOLSNRZGYRFWCI-PWSUYJOCSA-N 0 3 219.328 3.435 20 0 BGADHN C[C@H]1C[C@@H]1c1ccc(CNC2(C)CCC2)o1 ZINC000160008693 323057399 /nfs/dbraw/zinc/05/73/99/323057399.db2.gz SOLSNRZGYRFWCI-JQWIXIFHSA-N 0 3 219.328 3.435 20 0 BGADHN C[C@@H]1C[C@H]1c1ccc(CNC2(C)CCC2)o1 ZINC000160008801 323057411 /nfs/dbraw/zinc/05/74/11/323057411.db2.gz SOLSNRZGYRFWCI-ZYHUDNBSSA-N 0 3 219.328 3.435 20 0 BGADHN C[C@H]1C[C@H]1c1ccc(CNC2(C)CCC2)o1 ZINC000160008961 323057404 /nfs/dbraw/zinc/05/74/04/323057404.db2.gz SOLSNRZGYRFWCI-CMPLNLGQSA-N 0 3 219.328 3.435 20 0 BGADHN CC(C)OCCNCc1cccc(C2CC2)c1 ZINC000160023822 345787573 /nfs/dbraw/zinc/78/75/73/345787573.db2.gz ZDACOUIRLQRQTF-UHFFFAOYSA-N 0 3 233.355 3.079 20 0 BGADHN CC(C)OCCNCc1ccc(C2CC2)cc1 ZINC000160029123 345788121 /nfs/dbraw/zinc/78/81/21/345788121.db2.gz BWYFQWYBFQCWHP-UHFFFAOYSA-N 0 3 233.355 3.079 20 0 BGADHN CC(C)OCCNCc1ccc(C(F)F)cc1 ZINC000160033665 541495509 /nfs/dbraw/zinc/49/55/09/541495509.db2.gz DTIMSUOMCSYWCZ-UHFFFAOYSA-N 0 3 243.297 3.139 20 0 BGADHN Cc1cccc([C@@H](C)N[C@@H](C)c2cnn(C)c2)c1 ZINC000160142301 179182307 /nfs/dbraw/zinc/18/23/07/179182307.db2.gz PVWMMHLIXBWDAR-OLZOCXBDSA-N 0 3 243.354 3.140 20 0 BGADHN Cc1cccc([C@@H](C)N[C@H](C)c2cnn(C)c2)c1 ZINC000160142430 179182989 /nfs/dbraw/zinc/18/29/89/179182989.db2.gz PVWMMHLIXBWDAR-CHWSQXEVSA-N 0 3 243.354 3.140 20 0 BGADHN Cc1cccc([C@@H](C)NCc2ccn(C)c2)c1 ZINC000160156905 179181815 /nfs/dbraw/zinc/18/18/15/179181815.db2.gz DXLNAIGOWVTPMQ-CYBMUJFWSA-N 0 3 228.339 3.184 20 0 BGADHN C[C@H](NCc1cccc(F)c1F)C1CCC1 ZINC000160179527 538883402 /nfs/dbraw/zinc/88/34/02/538883402.db2.gz BWZFREZTOSMHOB-VIFPVBQESA-N 0 3 225.282 3.243 20 0 BGADHN C[C@@H](NCc1cccc(F)c1F)C1CCC1 ZINC000160179623 538883390 /nfs/dbraw/zinc/88/33/90/538883390.db2.gz BWZFREZTOSMHOB-SECBINFHSA-N 0 3 225.282 3.243 20 0 BGADHN Cc1cccc([C@H](C)N[C@@H](C)c2cnn(C)c2)c1 ZINC000160187123 179196741 /nfs/dbraw/zinc/19/67/41/179196741.db2.gz PVWMMHLIXBWDAR-STQMWFEESA-N 0 3 243.354 3.140 20 0 BGADHN Cc1cccc([C@H](C)N[C@H](C)c2cnn(C)c2)c1 ZINC000160187235 179197499 /nfs/dbraw/zinc/19/74/99/179197499.db2.gz PVWMMHLIXBWDAR-QWHCGFSZSA-N 0 3 243.354 3.140 20 0 BGADHN Cc1cccc([C@H](C)NCc2ccn(C)c2)c1 ZINC000160201540 179195779 /nfs/dbraw/zinc/19/57/79/179195779.db2.gz DXLNAIGOWVTPMQ-ZDUSSCGKSA-N 0 3 228.339 3.184 20 0 BGADHN CCCC[C@@H](COC)N[C@@H](C)c1ccco1 ZINC000160202711 346444320 /nfs/dbraw/zinc/44/43/20/346444320.db2.gz RRQBYPRFBNVNBX-RYUDHWBXSA-N 0 3 225.332 3.135 20 0 BGADHN CCCC[C@H](COC)N[C@@H](C)c1ccco1 ZINC000160202874 169004863 /nfs/dbraw/zinc/00/48/63/169004863.db2.gz RRQBYPRFBNVNBX-NWDGAFQWSA-N 0 3 225.332 3.135 20 0 BGADHN CCCC[C@@H](COC)N[C@H](C)c1ccco1 ZINC000160202994 346444283 /nfs/dbraw/zinc/44/42/83/346444283.db2.gz RRQBYPRFBNVNBX-NEPJUHHUSA-N 0 3 225.332 3.135 20 0 BGADHN CCCC[C@H](COC)N[C@H](C)c1ccco1 ZINC000160203120 169005194 /nfs/dbraw/zinc/00/51/94/169005194.db2.gz RRQBYPRFBNVNBX-VXGBXAGGSA-N 0 3 225.332 3.135 20 0 BGADHN Cc1cccc([C@@H](C)NCCOC(F)(F)F)c1 ZINC000160229802 384665746 /nfs/dbraw/zinc/66/57/46/384665746.db2.gz UTJVVGGYRNCLIT-SNVBAGLBSA-N 0 3 247.260 3.182 20 0 BGADHN Cc1ccc([C@@H](C)NC[C@@H]2CCC(C)(C)O2)o1 ZINC000160231153 387071366 /nfs/dbraw/zinc/07/13/66/387071366.db2.gz RTSUQKGXQSSGIE-NEPJUHHUSA-N 0 3 237.343 3.196 20 0 BGADHN Cc1ccc([C@H](C)NC[C@@H]2CCC(C)(C)O2)o1 ZINC000160231290 178889393 /nfs/dbraw/zinc/88/93/93/178889393.db2.gz RTSUQKGXQSSGIE-RYUDHWBXSA-N 0 3 237.343 3.196 20 0 BGADHN Cc1ccc([C@@H](C)NC[C@H]2CCC(C)(C)O2)o1 ZINC000160231425 387071179 /nfs/dbraw/zinc/07/11/79/387071179.db2.gz RTSUQKGXQSSGIE-VXGBXAGGSA-N 0 3 237.343 3.196 20 0 BGADHN Cc1ccc([C@H](C)NC[C@H]2CCC(C)(C)O2)o1 ZINC000160231565 178891202 /nfs/dbraw/zinc/89/12/02/178891202.db2.gz RTSUQKGXQSSGIE-NWDGAFQWSA-N 0 3 237.343 3.196 20 0 BGADHN CCn1cc(CN[C@H](C)c2cccc(C)c2)cn1 ZINC000160232783 172174073 /nfs/dbraw/zinc/17/40/73/172174073.db2.gz YDYBPTMYHVKHPJ-CYBMUJFWSA-N 0 3 243.354 3.062 20 0 BGADHN Cc1cccc([C@H](C)NCCOC(F)(F)F)c1 ZINC000160255428 179194542 /nfs/dbraw/zinc/19/45/42/179194542.db2.gz UTJVVGGYRNCLIT-JTQLQIEISA-N 0 3 247.260 3.182 20 0 BGADHN CCn1cc(CN[C@@H](C)c2cccc(C)c2)cn1 ZINC000160257719 172174001 /nfs/dbraw/zinc/17/40/01/172174001.db2.gz YDYBPTMYHVKHPJ-ZDUSSCGKSA-N 0 3 243.354 3.062 20 0 BGADHN CCNCc1cccc(Br)c1Cl ZINC000160394951 358556806 /nfs/dbraw/zinc/55/68/06/358556806.db2.gz HMXKEEHIEFMYQG-UHFFFAOYSA-N 0 3 248.551 3.212 20 0 BGADHN CCCC[C@@H](CCC)N[C@@H](C)c1cnccn1 ZINC000160413759 346452670 /nfs/dbraw/zinc/45/26/70/346452670.db2.gz XVFYOMBYSPYHTI-QWHCGFSZSA-N 0 3 235.375 3.486 20 0 BGADHN CCCC[C@H](CCC)N[C@@H](C)c1cnccn1 ZINC000160413878 169002121 /nfs/dbraw/zinc/00/21/21/169002121.db2.gz XVFYOMBYSPYHTI-STQMWFEESA-N 0 3 235.375 3.486 20 0 BGADHN CCCC[C@@H](CCC)N[C@H](C)c1cnccn1 ZINC000160414000 346452632 /nfs/dbraw/zinc/45/26/32/346452632.db2.gz XVFYOMBYSPYHTI-CHWSQXEVSA-N 0 3 235.375 3.486 20 0 BGADHN CCCC[C@H](CCC)N[C@H](C)c1cnccn1 ZINC000160414130 169002347 /nfs/dbraw/zinc/00/23/47/169002347.db2.gz XVFYOMBYSPYHTI-OLZOCXBDSA-N 0 3 235.375 3.486 20 0 BGADHN CCC(C)(C)NCc1cccc(OC)c1F ZINC000160458903 488135244 /nfs/dbraw/zinc/13/52/44/488135244.db2.gz HYMNWIRHQGMKMW-UHFFFAOYSA-N 0 3 225.307 3.113 20 0 BGADHN CCC(CC)NCc1cccc(OC)c1F ZINC000160459439 488135349 /nfs/dbraw/zinc/13/53/49/488135349.db2.gz ANTSEPCIQVYCMT-UHFFFAOYSA-N 0 3 225.307 3.113 20 0 BGADHN CCCCCNCc1cccc(OC)c1F ZINC000160459713 488135317 /nfs/dbraw/zinc/13/53/17/488135317.db2.gz WRMFNCQHEYJXHK-UHFFFAOYSA-N 0 3 225.307 3.114 20 0 BGADHN CCC[C@@H](C)NCc1cccc(OC)c1F ZINC000160459847 488134944 /nfs/dbraw/zinc/13/49/44/488134944.db2.gz HWYFMAXVOLJCBG-SNVBAGLBSA-N 0 3 225.307 3.113 20 0 BGADHN CCC[C@H](C)NCc1cccc(OC)c1F ZINC000160459966 488134960 /nfs/dbraw/zinc/13/49/60/488134960.db2.gz HWYFMAXVOLJCBG-JTQLQIEISA-N 0 3 225.307 3.113 20 0 BGADHN CC[C@H](NCCSC)c1ccc(F)cc1F ZINC000160660117 384425559 /nfs/dbraw/zinc/42/55/59/384425559.db2.gz QEUQKUZRMFRBME-LBPRGKRZSA-N 0 3 245.338 3.369 20 0 BGADHN CC[C@@H](NCCSC)c1ccc(F)cc1F ZINC000160660255 384424947 /nfs/dbraw/zinc/42/49/47/384424947.db2.gz QEUQKUZRMFRBME-GFCCVEGCSA-N 0 3 245.338 3.369 20 0 BGADHN CCN[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000160683015 170150088 /nfs/dbraw/zinc/15/00/88/170150088.db2.gz UFXYNIFAEYWTTL-GFCCVEGCSA-N 0 3 217.312 3.042 20 0 BGADHN CCN[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000160683148 170165960 /nfs/dbraw/zinc/16/59/60/170165960.db2.gz UFXYNIFAEYWTTL-LBPRGKRZSA-N 0 3 217.312 3.042 20 0 BGADHN C[C@H](N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)c1ccco1 ZINC000160752718 349320575 /nfs/dbraw/zinc/32/05/75/349320575.db2.gz ULDMSQHPLHFFDR-UNJBNNCHSA-N 0 3 249.354 3.134 20 0 BGADHN CCO[C@@H]1C[C@H](N[C@H](C)c2ccco2)C12CCC2 ZINC000160769177 384434486 /nfs/dbraw/zinc/43/44/86/384434486.db2.gz HTEYOTUTLBWJDO-KWCYVHTRSA-N 0 3 249.354 3.278 20 0 BGADHN CCO[C@@H]1C[C@@H](N[C@H](C)c2ccco2)C12CCC2 ZINC000160769420 384434601 /nfs/dbraw/zinc/43/46/01/384434601.db2.gz HTEYOTUTLBWJDO-MRVWCRGKSA-N 0 3 249.354 3.278 20 0 BGADHN COC(C)(C)CNCc1c(C)oc2ccccc21 ZINC000160798328 388091659 /nfs/dbraw/zinc/09/16/59/388091659.db2.gz PUXLDHOYQVTFOF-UHFFFAOYSA-N 0 3 247.338 3.256 20 0 BGADHN C[C@H](NCC(C1CC1)C1CC1)c1cscn1 ZINC000161214488 387147801 /nfs/dbraw/zinc/14/78/01/387147801.db2.gz IYGUPSIKACQYAH-VIFPVBQESA-N 0 3 236.384 3.230 20 0 BGADHN C[C@@H](NCC(C1CC1)C1CC1)c1cscn1 ZINC000161214621 387147679 /nfs/dbraw/zinc/14/76/79/387147679.db2.gz IYGUPSIKACQYAH-SECBINFHSA-N 0 3 236.384 3.230 20 0 BGADHN CCCCCN[C@@H](CC)c1ccc(F)cn1 ZINC000161306250 384965340 /nfs/dbraw/zinc/96/53/40/384965340.db2.gz GMSPYJTXMVZGJW-LBPRGKRZSA-N 0 3 224.323 3.452 20 0 BGADHN CCCCCN[C@H](CC)c1ccc(F)cn1 ZINC000161306380 384965968 /nfs/dbraw/zinc/96/59/68/384965968.db2.gz GMSPYJTXMVZGJW-GFCCVEGCSA-N 0 3 224.323 3.452 20 0 BGADHN CC[C@H](NCCC(C)C)c1ccc(F)cn1 ZINC000161307743 349419753 /nfs/dbraw/zinc/41/97/53/349419753.db2.gz LXDNXIRKFKSZBV-LBPRGKRZSA-N 0 3 224.323 3.308 20 0 BGADHN CC[C@@H](NCCC(C)C)c1ccc(F)cn1 ZINC000161307873 349419450 /nfs/dbraw/zinc/41/94/50/349419450.db2.gz LXDNXIRKFKSZBV-GFCCVEGCSA-N 0 3 224.323 3.308 20 0 BGADHN CC[C@H](NCC(C)(C)C)c1ccc(F)cn1 ZINC000161324235 349422375 /nfs/dbraw/zinc/42/23/75/349422375.db2.gz NKVXUJDNDJCHOG-NSHDSACASA-N 0 3 224.323 3.308 20 0 BGADHN CC[C@@H](NCC(C)(C)C)c1ccc(F)cn1 ZINC000161324343 349422334 /nfs/dbraw/zinc/42/23/34/349422334.db2.gz NKVXUJDNDJCHOG-LLVKDONJSA-N 0 3 224.323 3.308 20 0 BGADHN CC[C@H](N[C@@H]1CC1(C)C)c1ccc(F)cn1 ZINC000161329856 535932291 /nfs/dbraw/zinc/93/22/91/535932291.db2.gz PYGBAYSNBDVYEN-CMPLNLGQSA-N 0 3 222.307 3.060 20 0 BGADHN CC[C@@H](N[C@@H]1CC1(C)C)c1ccc(F)cn1 ZINC000161329979 349424043 /nfs/dbraw/zinc/42/40/43/349424043.db2.gz PYGBAYSNBDVYEN-ZYHUDNBSSA-N 0 3 222.307 3.060 20 0 BGADHN CC[C@H](N[C@H]1CC1(C)C)c1ccc(F)cn1 ZINC000161330088 349423699 /nfs/dbraw/zinc/42/36/99/349423699.db2.gz PYGBAYSNBDVYEN-JQWIXIFHSA-N 0 3 222.307 3.060 20 0 BGADHN CC[C@@H](N[C@H]1CC1(C)C)c1ccc(F)cn1 ZINC000161330168 349423687 /nfs/dbraw/zinc/42/36/87/349423687.db2.gz PYGBAYSNBDVYEN-PWSUYJOCSA-N 0 3 222.307 3.060 20 0 BGADHN CC[C@H](NCCCSC)c1ccc(F)cn1 ZINC000161338287 349424925 /nfs/dbraw/zinc/42/49/25/349424925.db2.gz PDVHYPFATSMHHI-NSHDSACASA-N 0 3 242.363 3.015 20 0 BGADHN CC[C@@H](NCCCSC)c1ccc(F)cn1 ZINC000161338404 349424471 /nfs/dbraw/zinc/42/44/71/349424471.db2.gz PDVHYPFATSMHHI-LLVKDONJSA-N 0 3 242.363 3.015 20 0 BGADHN CC[C@H](NCCC1CC1)c1ccc(F)cn1 ZINC000161344309 538915415 /nfs/dbraw/zinc/91/54/15/538915415.db2.gz PWULUBSHBWILFZ-LBPRGKRZSA-N 0 3 222.307 3.062 20 0 BGADHN CC[C@@H](NCCC1CC1)c1ccc(F)cn1 ZINC000161344440 538915276 /nfs/dbraw/zinc/91/52/76/538915276.db2.gz PWULUBSHBWILFZ-GFCCVEGCSA-N 0 3 222.307 3.062 20 0 BGADHN CC[C@H](N[C@H]1CC=CCC1)c1ccc(F)cn1 ZINC000161344575 349426341 /nfs/dbraw/zinc/42/63/41/349426341.db2.gz KIJHWEWOKAFHBX-STQMWFEESA-N 0 3 234.318 3.370 20 0 BGADHN CC[C@@H](N[C@H]1CC=CCC1)c1ccc(F)cn1 ZINC000161344721 349426393 /nfs/dbraw/zinc/42/63/93/349426393.db2.gz KIJHWEWOKAFHBX-QWHCGFSZSA-N 0 3 234.318 3.370 20 0 BGADHN CC[C@H](N[C@@H]1CC=CCC1)c1ccc(F)cn1 ZINC000161344848 349426171 /nfs/dbraw/zinc/42/61/71/349426171.db2.gz KIJHWEWOKAFHBX-OLZOCXBDSA-N 0 3 234.318 3.370 20 0 BGADHN CC[C@@H](N[C@@H]1CC=CCC1)c1ccc(F)cn1 ZINC000161344967 349426468 /nfs/dbraw/zinc/42/64/68/349426468.db2.gz KIJHWEWOKAFHBX-CHWSQXEVSA-N 0 3 234.318 3.370 20 0 BGADHN CCC(CC)(CO)CN[C@@H](C)c1ccc(C)o1 ZINC000161399031 168328333 /nfs/dbraw/zinc/32/83/33/168328333.db2.gz XOSVHVLMXYQCCH-LBPRGKRZSA-N 0 3 239.359 3.037 20 0 BGADHN CCC(CC)(CO)CN[C@H](C)c1ccc(C)o1 ZINC000161399153 168328760 /nfs/dbraw/zinc/32/87/60/168328760.db2.gz XOSVHVLMXYQCCH-GFCCVEGCSA-N 0 3 239.359 3.037 20 0 BGADHN C[C@H](NCCC(C)(C)C)c1ccc(F)cn1 ZINC000161430385 398067181 /nfs/dbraw/zinc/06/71/81/398067181.db2.gz XDVMVYVMFVDIOX-JTQLQIEISA-N 0 3 224.323 3.308 20 0 BGADHN C[C@@H](NCCC(C)(C)C)c1ccc(F)cn1 ZINC000161430490 398067089 /nfs/dbraw/zinc/06/70/89/398067089.db2.gz XDVMVYVMFVDIOX-SNVBAGLBSA-N 0 3 224.323 3.308 20 0 BGADHN CC[C@@H]1CCC[C@@H]1N[C@@H](C)c1nccs1 ZINC000161548573 346331028 /nfs/dbraw/zinc/33/10/28/346331028.db2.gz KSOIPPVPQWFAJS-AXFHLTTASA-N 0 3 224.373 3.372 20 0 BGADHN CC[C@@H]1CCC[C@H]1N[C@@H](C)c1nccs1 ZINC000161548805 171003258 /nfs/dbraw/zinc/00/32/58/171003258.db2.gz KSOIPPVPQWFAJS-HBNTYKKESA-N 0 3 224.373 3.372 20 0 BGADHN CC(C)CCn1cccc1CN1CCCC1 ZINC000161567993 387248977 /nfs/dbraw/zinc/24/89/77/387248977.db2.gz HYNYSIXYYJNTPU-UHFFFAOYSA-N 0 3 220.360 3.130 20 0 BGADHN CCC[C@@H](CC)N[C@@H](C)c1cscn1 ZINC000161571412 169379233 /nfs/dbraw/zinc/37/92/33/169379233.db2.gz DOKONTIEZQGYNE-VHSXEESVSA-N 0 3 212.362 3.372 20 0 BGADHN CCC[C@H](CC)N[C@@H](C)c1cscn1 ZINC000161571532 385365370 /nfs/dbraw/zinc/36/53/70/385365370.db2.gz DOKONTIEZQGYNE-UWVGGRQHSA-N 0 3 212.362 3.372 20 0 BGADHN CCC[C@@H](CC)N[C@H](C)c1cscn1 ZINC000161571651 169380355 /nfs/dbraw/zinc/38/03/55/169380355.db2.gz DOKONTIEZQGYNE-NXEZZACHSA-N 0 3 212.362 3.372 20 0 BGADHN CCC[C@H](CC)N[C@H](C)c1cscn1 ZINC000161571782 191848538 /nfs/dbraw/zinc/84/85/38/191848538.db2.gz DOKONTIEZQGYNE-ZJUUUORDSA-N 0 3 212.362 3.372 20 0 BGADHN C[C@H](NCC1(C)CCCC1)c1cscn1 ZINC000161597987 385376286 /nfs/dbraw/zinc/37/62/86/385376286.db2.gz QDXGRXNJENDPOT-JTQLQIEISA-N 0 3 224.373 3.374 20 0 BGADHN C[C@@H](NCC1(C)CCCC1)c1cscn1 ZINC000161598116 385376683 /nfs/dbraw/zinc/37/66/83/385376683.db2.gz QDXGRXNJENDPOT-SNVBAGLBSA-N 0 3 224.373 3.374 20 0 BGADHN COc1cccc(CNCCCC2CC2)c1F ZINC000161604171 487505285 /nfs/dbraw/zinc/50/52/85/487505285.db2.gz QWITWLIRJMTXPS-UHFFFAOYSA-N 0 3 237.318 3.114 20 0 BGADHN Cc1ccc([C@H](C)NCCc2ccc(C)nc2)o1 ZINC000161636297 387259397 /nfs/dbraw/zinc/25/93/97/387259397.db2.gz UZUUPJYPQHTSQH-ZDUSSCGKSA-N 0 3 244.338 3.185 20 0 BGADHN Cc1ccc([C@@H](C)NCCc2ccc(C)nc2)o1 ZINC000161636424 323560926 /nfs/dbraw/zinc/56/09/26/323560926.db2.gz UZUUPJYPQHTSQH-CYBMUJFWSA-N 0 3 244.338 3.185 20 0 BGADHN Cc1ccc([C@@H](C)NCCCC2CC2)o1 ZINC000161704176 323555093 /nfs/dbraw/zinc/55/50/93/323555093.db2.gz PAUQOYNGDNGPLF-LLVKDONJSA-N 0 3 207.317 3.429 20 0 BGADHN Cc1ccc([C@H](C)NCCCC2CC2)o1 ZINC000161704314 387253819 /nfs/dbraw/zinc/25/38/19/387253819.db2.gz PAUQOYNGDNGPLF-NSHDSACASA-N 0 3 207.317 3.429 20 0 BGADHN Cc1nc([C@@H](C)NCCCC2CC2)cs1 ZINC000161705795 323557211 /nfs/dbraw/zinc/55/72/11/323557211.db2.gz DFXXPOSMGWKDHF-SECBINFHSA-N 0 3 224.373 3.292 20 0 BGADHN Cc1nc([C@H](C)NCCCC2CC2)cs1 ZINC000161705922 387255074 /nfs/dbraw/zinc/25/50/74/387255074.db2.gz DFXXPOSMGWKDHF-VIFPVBQESA-N 0 3 224.373 3.292 20 0 BGADHN C[C@H](NCCCC1CC1)c1ccc(F)cn1 ZINC000161713620 323561501 /nfs/dbraw/zinc/56/15/01/323561501.db2.gz VEICMAFXUZTTHA-JTQLQIEISA-N 0 3 222.307 3.062 20 0 BGADHN C[C@@H](NCCCC1CC1)c1ccc(F)cn1 ZINC000161713744 387260242 /nfs/dbraw/zinc/26/02/42/387260242.db2.gz VEICMAFXUZTTHA-SNVBAGLBSA-N 0 3 222.307 3.062 20 0 BGADHN COc1ccccc1[C@H](C)NC1CC(C)C1 ZINC000161773296 175351103 /nfs/dbraw/zinc/35/11/03/175351103.db2.gz QZUFYLSTXSSHAI-CXQJBGSLSA-N 0 3 219.328 3.144 20 0 BGADHN COc1ccccc1[C@@H](C)NC1CC(C)C1 ZINC000161773418 175344383 /nfs/dbraw/zinc/34/43/83/175344383.db2.gz QZUFYLSTXSSHAI-MOENNCHZSA-N 0 3 219.328 3.144 20 0 BGADHN CC1CC(N[C@@H]2CSc3ccccc32)C1 ZINC000161786298 360572153 /nfs/dbraw/zinc/57/21/53/360572153.db2.gz FBGRVULPHCMKLE-RTYFJBAXSA-N 0 3 219.353 3.222 20 0 BGADHN CC1CC(N[C@H]2CSc3ccccc32)C1 ZINC000161786418 360572375 /nfs/dbraw/zinc/57/23/75/360572375.db2.gz FBGRVULPHCMKLE-CBINBANVSA-N 0 3 219.353 3.222 20 0 BGADHN Cc1nc([C@@H](C)NC2CC(C)C2)c(C)s1 ZINC000161791391 538918733 /nfs/dbraw/zinc/91/87/33/538918733.db2.gz CMHLAUVARUHHDT-JKDSDDBFSA-N 0 3 224.373 3.209 20 0 BGADHN Cc1nc([C@H](C)NC2CC(C)C2)c(C)s1 ZINC000161791516 538918667 /nfs/dbraw/zinc/91/86/67/538918667.db2.gz CMHLAUVARUHHDT-KAIZJQOQSA-N 0 3 224.373 3.209 20 0 BGADHN C[C@H](NC1CC(C)C1)c1cc(F)ccc1F ZINC000161798839 349499955 /nfs/dbraw/zinc/49/99/55/349499955.db2.gz KSRKOVKKOPPDTI-YUCVTWSNSA-N 0 3 225.282 3.414 20 0 BGADHN C[C@@H](NC1CC(C)C1)c1cc(F)ccc1F ZINC000161798992 133515550 /nfs/dbraw/zinc/51/55/50/133515550.db2.gz KSRKOVKKOPPDTI-INWMGODYSA-N 0 3 225.282 3.414 20 0 BGADHN C[C@H](NC1CC(C)C1)c1ccccc1F ZINC000161799914 168147078 /nfs/dbraw/zinc/14/70/78/168147078.db2.gz PKDHZEVVRKXKMF-YVNMAJEFSA-N 0 3 207.292 3.275 20 0 BGADHN C[C@@H](NC1CC(C)C1)c1ccccc1F ZINC000161800076 168148423 /nfs/dbraw/zinc/14/84/23/168148423.db2.gz PKDHZEVVRKXKMF-HSOILSAZSA-N 0 3 207.292 3.275 20 0 BGADHN C[C@H](NC1CC(C)C1)c1cc(F)cc(F)c1 ZINC000161804566 349507894 /nfs/dbraw/zinc/50/78/94/349507894.db2.gz AQAJFGQIQBIRFG-JVVWGOMOSA-N 0 3 225.282 3.414 20 0 BGADHN C[C@@H](NC1CC(C)C1)c1cc(F)cc(F)c1 ZINC000161804704 349507804 /nfs/dbraw/zinc/50/78/04/349507804.db2.gz AQAJFGQIQBIRFG-XQVHRTOBSA-N 0 3 225.282 3.414 20 0 BGADHN C[C@H](NC1CC(C)C1)c1c(F)cccc1F ZINC000161807198 349507659 /nfs/dbraw/zinc/50/76/59/349507659.db2.gz ZADVJCIJJNNZBR-KYHHOPLUSA-N 0 3 225.282 3.414 20 0 BGADHN C[C@@H](NC1CC(C)C1)c1c(F)cccc1F ZINC000161807323 349508014 /nfs/dbraw/zinc/50/80/14/349508014.db2.gz ZADVJCIJJNNZBR-HWOCKDDLSA-N 0 3 225.282 3.414 20 0 BGADHN Cc1cccc(CCNCc2ncccc2C)c1 ZINC000161807459 349507823 /nfs/dbraw/zinc/50/78/23/349507823.db2.gz OHAXCJNEDIPMAM-UHFFFAOYSA-N 0 3 240.350 3.031 20 0 BGADHN C[C@H](NC1CC(C)C1)c1ccc(F)cc1F ZINC000161809127 349508882 /nfs/dbraw/zinc/50/88/82/349508882.db2.gz VOKBCJFVWBNNPI-YUCVTWSNSA-N 0 3 225.282 3.414 20 0 BGADHN C[C@@H](NC1CC(C)C1)c1ccc(F)cc1F ZINC000161809268 349509050 /nfs/dbraw/zinc/50/90/50/349509050.db2.gz VOKBCJFVWBNNPI-INWMGODYSA-N 0 3 225.282 3.414 20 0 BGADHN Cc1cc(C)c(CNCc2cccn2C)c(C)c1 ZINC000161847178 384533126 /nfs/dbraw/zinc/53/31/26/384533126.db2.gz ZYOVASTYFWEWMT-UHFFFAOYSA-N 0 3 242.366 3.240 20 0 BGADHN Cc1nc([C@@H](C)NCCC2CCC2)cs1 ZINC000161860963 584129277 /nfs/dbraw/zinc/12/92/77/584129277.db2.gz RTNHOBNRPLUKQM-SECBINFHSA-N 0 3 224.373 3.292 20 0 BGADHN Cc1nc([C@H](C)NCCC2CCC2)cs1 ZINC000161861102 538919453 /nfs/dbraw/zinc/91/94/53/538919453.db2.gz RTNHOBNRPLUKQM-VIFPVBQESA-N 0 3 224.373 3.292 20 0 BGADHN CCOCCN[C@@H](CC)c1cc(F)ccc1F ZINC000161907619 384539270 /nfs/dbraw/zinc/53/92/70/384539270.db2.gz CWNGPOZGDVLOFD-ZDUSSCGKSA-N 0 3 243.297 3.042 20 0 BGADHN CCOCCN[C@H](CC)c1cc(F)ccc1F ZINC000161907749 384539060 /nfs/dbraw/zinc/53/90/60/384539060.db2.gz CWNGPOZGDVLOFD-CYBMUJFWSA-N 0 3 243.297 3.042 20 0 BGADHN CC(C)C[C@@H](C)N[C@@H](C)c1cscn1 ZINC000161915444 397920865 /nfs/dbraw/zinc/92/08/65/397920865.db2.gz CCMHDVDWYUCSGV-ZJUUUORDSA-N 0 3 212.362 3.228 20 0 BGADHN CC(C)C[C@H](C)N[C@@H](C)c1cscn1 ZINC000161915582 188178065 /nfs/dbraw/zinc/17/80/65/188178065.db2.gz CCMHDVDWYUCSGV-UWVGGRQHSA-N 0 3 212.362 3.228 20 0 BGADHN CC(C)C[C@@H](C)N[C@H](C)c1cscn1 ZINC000161915710 397920961 /nfs/dbraw/zinc/92/09/61/397920961.db2.gz CCMHDVDWYUCSGV-NXEZZACHSA-N 0 3 212.362 3.228 20 0 BGADHN CC(C)C[C@H](C)N[C@H](C)c1cscn1 ZINC000161915836 188178474 /nfs/dbraw/zinc/17/84/74/188178474.db2.gz CCMHDVDWYUCSGV-VHSXEESVSA-N 0 3 212.362 3.228 20 0 BGADHN CS[C@H](C)CN[C@H](C)c1nc(C)sc1C ZINC000161928793 360778946 /nfs/dbraw/zinc/77/89/46/360778946.db2.gz TXEKSCHGGXFBAA-HTQZYQBOSA-N 0 3 244.429 3.162 20 0 BGADHN CS[C@H](C)CN[C@@H](C)c1nc(C)sc1C ZINC000161928930 371582603 /nfs/dbraw/zinc/58/26/03/371582603.db2.gz TXEKSCHGGXFBAA-SFYZADRCSA-N 0 3 244.429 3.162 20 0 BGADHN CS[C@@H](C)CN[C@H](C)c1nc(C)sc1C ZINC000161929060 360779200 /nfs/dbraw/zinc/77/92/00/360779200.db2.gz TXEKSCHGGXFBAA-JGVFFNPUSA-N 0 3 244.429 3.162 20 0 BGADHN CS[C@@H](C)CN[C@@H](C)c1nc(C)sc1C ZINC000161929193 371583611 /nfs/dbraw/zinc/58/36/11/371583611.db2.gz TXEKSCHGGXFBAA-YUMQZZPRSA-N 0 3 244.429 3.162 20 0 BGADHN CCOCCN[C@@H](C)c1cc(C)c(F)c(C)c1 ZINC000161964684 387289318 /nfs/dbraw/zinc/28/93/18/387289318.db2.gz CPNWJOCVHPGCJT-LBPRGKRZSA-N 0 3 239.334 3.130 20 0 BGADHN CCOCCN[C@H](C)c1cc(C)c(F)c(C)c1 ZINC000161964806 387288773 /nfs/dbraw/zinc/28/87/73/387288773.db2.gz CPNWJOCVHPGCJT-GFCCVEGCSA-N 0 3 239.334 3.130 20 0 BGADHN CCc1noc(C)c1CN1CCCC[C@@H]1CC ZINC000161972799 384553038 /nfs/dbraw/zinc/55/30/38/384553038.db2.gz ILAQRVKEAPXOCR-LBPRGKRZSA-N 0 3 236.359 3.310 20 0 BGADHN CCc1noc(C)c1CN1CCCC[C@H]1CC ZINC000161972920 384551419 /nfs/dbraw/zinc/55/14/19/384551419.db2.gz ILAQRVKEAPXOCR-GFCCVEGCSA-N 0 3 236.359 3.310 20 0 BGADHN CCc1noc(C)c1CN(C)C1CCCCC1 ZINC000161981010 387708861 /nfs/dbraw/zinc/70/88/61/387708861.db2.gz NIPUIBGNUHIYPQ-UHFFFAOYSA-N 0 3 236.359 3.310 20 0 BGADHN CCc1noc(C)c1CN1C[C@H](C)C[C@H](C)C1 ZINC000162006611 387808676 /nfs/dbraw/zinc/80/86/76/387808676.db2.gz ONAVFXMJSQKLFT-PHIMTYICSA-N 0 3 236.359 3.023 20 0 BGADHN CCc1noc(C)c1CN1C[C@@H](C)C[C@H](C)C1 ZINC000162006710 387808793 /nfs/dbraw/zinc/80/87/93/387808793.db2.gz ONAVFXMJSQKLFT-QWRGUYRKSA-N 0 3 236.359 3.023 20 0 BGADHN CCc1noc(C)c1CN1C[C@H](C)C[C@@H](C)C1 ZINC000162006824 387807757 /nfs/dbraw/zinc/80/77/57/387807757.db2.gz ONAVFXMJSQKLFT-GHMZBOCLSA-N 0 3 236.359 3.023 20 0 BGADHN CCCCN(C)Cc1nc2ccc(F)cc2o1 ZINC000162011960 359336794 /nfs/dbraw/zinc/33/67/94/359336794.db2.gz DHMHRLOMWRBAKD-UHFFFAOYSA-N 0 3 236.290 3.199 20 0 BGADHN CC[C@@H](C)NCc1c(Cl)cccc1OC ZINC000162013946 136227116 /nfs/dbraw/zinc/22/71/16/136227116.db2.gz SHIMDGCAZDEEBR-SECBINFHSA-N 0 3 227.735 3.237 20 0 BGADHN CC[C@H](C)NCc1c(Cl)cccc1OC ZINC000162014069 361090506 /nfs/dbraw/zinc/09/05/06/361090506.db2.gz SHIMDGCAZDEEBR-VIFPVBQESA-N 0 3 227.735 3.237 20 0 BGADHN COc1cccc(Cl)c1CN[C@H](C)C(C)C ZINC000162015535 387843103 /nfs/dbraw/zinc/84/31/03/387843103.db2.gz IMALZQXWKHXYEM-SNVBAGLBSA-N 0 3 241.762 3.483 20 0 BGADHN COc1cccc(Cl)c1CN[C@@H](C)C(C)C ZINC000162015613 387844600 /nfs/dbraw/zinc/84/46/00/387844600.db2.gz IMALZQXWKHXYEM-JTQLQIEISA-N 0 3 241.762 3.483 20 0 BGADHN CC[C@@H](C)CNCc1c(Cl)cccc1OC ZINC000162016977 387847741 /nfs/dbraw/zinc/84/77/41/387847741.db2.gz VXDRWIXMHHHGPL-SNVBAGLBSA-N 0 3 241.762 3.484 20 0 BGADHN CC[C@H](C)CNCc1c(Cl)cccc1OC ZINC000162017068 384559104 /nfs/dbraw/zinc/55/91/04/384559104.db2.gz VXDRWIXMHHHGPL-JTQLQIEISA-N 0 3 241.762 3.484 20 0 BGADHN CN(Cc1ccco1)C[C@H]1CC=CCC1 ZINC000162138700 387321351 /nfs/dbraw/zinc/32/13/51/387321351.db2.gz DYDWHRLXPNTSQY-LBPRGKRZSA-N 0 3 205.301 3.068 20 0 BGADHN CN(Cc1ccco1)C[C@@H]1CC=CCC1 ZINC000162138857 387321968 /nfs/dbraw/zinc/32/19/68/387321968.db2.gz DYDWHRLXPNTSQY-GFCCVEGCSA-N 0 3 205.301 3.068 20 0 BGADHN CCc1ccc(CN[C@@H](CC)CSC)o1 ZINC000162162489 384561796 /nfs/dbraw/zinc/56/17/96/384561796.db2.gz PYKROUMYCLZFQQ-JTQLQIEISA-N 0 3 227.373 3.073 20 0 BGADHN CCc1ccc(CN[C@H](CC)CSC)o1 ZINC000162162601 490354968 /nfs/dbraw/zinc/35/49/68/490354968.db2.gz PYKROUMYCLZFQQ-SNVBAGLBSA-N 0 3 227.373 3.073 20 0 BGADHN CC[C@@H](CSC)NCc1ccc(F)cc1F ZINC000162168238 384581226 /nfs/dbraw/zinc/58/12/26/384581226.db2.gz PQQNZWLTMCSXTP-NSHDSACASA-N 0 3 245.338 3.196 20 0 BGADHN CC[C@H](CSC)NCc1ccc(F)cc1F ZINC000162168338 384581329 /nfs/dbraw/zinc/58/13/29/384581329.db2.gz PQQNZWLTMCSXTP-LLVKDONJSA-N 0 3 245.338 3.196 20 0 BGADHN CC[C@@H](CSC)NCc1ccccc1F ZINC000162170680 388120363 /nfs/dbraw/zinc/12/03/63/388120363.db2.gz SXYRSVMPIYAKLZ-NSHDSACASA-N 0 3 227.348 3.057 20 0 BGADHN CC[C@H](CSC)NCc1ccccc1F ZINC000162170804 388120764 /nfs/dbraw/zinc/12/07/64/388120764.db2.gz SXYRSVMPIYAKLZ-LLVKDONJSA-N 0 3 227.348 3.057 20 0 BGADHN CC[C@@H](CSC)NCc1ccc(F)c(F)c1 ZINC000162171401 384581484 /nfs/dbraw/zinc/58/14/84/384581484.db2.gz HSAXFOXPJDRVTC-JTQLQIEISA-N 0 3 245.338 3.196 20 0 BGADHN CC[C@H](CSC)NCc1ccc(F)c(F)c1 ZINC000162171529 384581442 /nfs/dbraw/zinc/58/14/42/384581442.db2.gz HSAXFOXPJDRVTC-SNVBAGLBSA-N 0 3 245.338 3.196 20 0 BGADHN CN(Cc1ccco1)Cc1cccc2[nH]ccc21 ZINC000162182749 387330196 /nfs/dbraw/zinc/33/01/96/387330196.db2.gz WQTDUJLJHHFSNK-UHFFFAOYSA-N 0 3 240.306 3.393 20 0 BGADHN CC[C@@H](CSC)NCc1cccc(F)c1F ZINC000162183634 384585596 /nfs/dbraw/zinc/58/55/96/384585596.db2.gz LVZGYUFDOJUPLT-JTQLQIEISA-N 0 3 245.338 3.196 20 0 BGADHN CC[C@H](CSC)NCc1cccc(F)c1F ZINC000162183771 171465665 /nfs/dbraw/zinc/46/56/65/171465665.db2.gz LVZGYUFDOJUPLT-SNVBAGLBSA-N 0 3 245.338 3.196 20 0 BGADHN CC[C@@H](CSC)NCc1cc(F)ccc1F ZINC000162185901 384587754 /nfs/dbraw/zinc/58/77/54/384587754.db2.gz UFDSBJSKNPQVBR-NSHDSACASA-N 0 3 245.338 3.196 20 0 BGADHN CC[C@H](CSC)NCc1cc(F)ccc1F ZINC000162186034 384588311 /nfs/dbraw/zinc/58/83/11/384588311.db2.gz UFDSBJSKNPQVBR-LLVKDONJSA-N 0 3 245.338 3.196 20 0 BGADHN CC[C@@H](CSC)NCc1ccc(Cl)o1 ZINC000162191126 345263219 /nfs/dbraw/zinc/26/32/19/345263219.db2.gz PCZYBKJUUNUPNZ-QMMMGPOBSA-N 0 3 233.764 3.164 20 0 BGADHN CC[C@H](CSC)NCc1ccc(Cl)o1 ZINC000162191260 361338456 /nfs/dbraw/zinc/33/84/56/361338456.db2.gz PCZYBKJUUNUPNZ-MRVPVSSYSA-N 0 3 233.764 3.164 20 0 BGADHN CCN[C@@H](C)c1ccc(F)cc1Br ZINC000162231509 170141953 /nfs/dbraw/zinc/14/19/53/170141953.db2.gz CVLVYROFEOHSBA-ZETCQYMHSA-N 0 3 246.123 3.259 20 0 BGADHN CCN[C@H](C)c1ccc(F)cc1Br ZINC000162231635 170159560 /nfs/dbraw/zinc/15/95/60/170159560.db2.gz CVLVYROFEOHSBA-SSDOTTSWSA-N 0 3 246.123 3.259 20 0 BGADHN Cc1cscc1CNCc1ccc(C)nc1 ZINC000162265478 538921892 /nfs/dbraw/zinc/92/18/92/538921892.db2.gz WNZCCGYQVFSKDC-UHFFFAOYSA-N 0 3 232.352 3.050 20 0 BGADHN C[C@H](NCCCc1ccccc1)c1cscn1 ZINC000162301981 397777261 /nfs/dbraw/zinc/77/72/61/397777261.db2.gz UWRXYQXFMDKZOR-LBPRGKRZSA-N 0 3 246.379 3.427 20 0 BGADHN C[C@@H](NCCCc1ccccc1)c1cscn1 ZINC000162302095 397777392 /nfs/dbraw/zinc/77/73/92/397777392.db2.gz UWRXYQXFMDKZOR-GFCCVEGCSA-N 0 3 246.379 3.427 20 0 BGADHN CCc1nc([C@@H](C)N[C@@H](C)C(C)C)cs1 ZINC000162308775 172003388 /nfs/dbraw/zinc/00/33/88/172003388.db2.gz PZULYNFKWAMYQH-VHSXEESVSA-N 0 3 226.389 3.401 20 0 BGADHN CCc1nc([C@H](C)N[C@@H](C)C(C)C)cs1 ZINC000162308901 172005387 /nfs/dbraw/zinc/00/53/87/172005387.db2.gz PZULYNFKWAMYQH-UWVGGRQHSA-N 0 3 226.389 3.401 20 0 BGADHN CCc1nc([C@@H](C)N[C@H](C)C(C)C)cs1 ZINC000162309042 172002941 /nfs/dbraw/zinc/00/29/41/172002941.db2.gz PZULYNFKWAMYQH-NXEZZACHSA-N 0 3 226.389 3.401 20 0 BGADHN CCc1nc([C@H](C)N[C@H](C)C(C)C)cs1 ZINC000162309180 172007972 /nfs/dbraw/zinc/00/79/72/172007972.db2.gz PZULYNFKWAMYQH-ZJUUUORDSA-N 0 3 226.389 3.401 20 0 BGADHN Cc1ccccc1CCN[C@@H](C)c1cscn1 ZINC000162318796 179267712 /nfs/dbraw/zinc/26/77/12/179267712.db2.gz MFYBIHPEDIQWKR-LBPRGKRZSA-N 0 3 246.379 3.345 20 0 BGADHN Cc1ccccc1CCN[C@H](C)c1cscn1 ZINC000162318920 179266807 /nfs/dbraw/zinc/26/68/07/179266807.db2.gz MFYBIHPEDIQWKR-GFCCVEGCSA-N 0 3 246.379 3.345 20 0 BGADHN CCSCCN1CCC(OC(C)(C)C)CC1 ZINC000162341115 388154199 /nfs/dbraw/zinc/15/41/99/388154199.db2.gz QERBALRUOAKJJR-UHFFFAOYSA-N 0 3 245.432 3.019 20 0 BGADHN CCc1nc([C@@H](C)NC2CCCC2)cs1 ZINC000162354895 323608435 /nfs/dbraw/zinc/60/84/35/323608435.db2.gz OCIAHTNBQMIBAG-SECBINFHSA-N 0 3 224.373 3.299 20 0 BGADHN CCc1nc([C@H](C)NC2CCCC2)cs1 ZINC000162355040 387345358 /nfs/dbraw/zinc/34/53/58/387345358.db2.gz OCIAHTNBQMIBAG-VIFPVBQESA-N 0 3 224.373 3.299 20 0 BGADHN CC(C)(C)OCCNCc1ccc(Cl)cc1 ZINC000162365998 387346648 /nfs/dbraw/zinc/34/66/48/387346648.db2.gz WHVZGRREZVEMTQ-UHFFFAOYSA-N 0 3 241.762 3.245 20 0 BGADHN CC(C)(C)OCCNCc1cccc(Cl)c1 ZINC000162366358 387347137 /nfs/dbraw/zinc/34/71/37/387347137.db2.gz QMXHZVCYSYGQJL-UHFFFAOYSA-N 0 3 241.762 3.245 20 0 BGADHN CC[C@@H](CSC)N[C@@H](C)c1ccc(F)cn1 ZINC000162366600 384608889 /nfs/dbraw/zinc/60/88/89/384608889.db2.gz ZMTXASMYGMYFNG-ONGXEEELSA-N 0 3 242.363 3.013 20 0 BGADHN CC[C@H](CSC)N[C@@H](C)c1ccc(F)cn1 ZINC000162366732 384608022 /nfs/dbraw/zinc/60/80/22/384608022.db2.gz ZMTXASMYGMYFNG-GXSJLCMTSA-N 0 3 242.363 3.013 20 0 BGADHN CC[C@@H](CSC)N[C@H](C)c1ccc(F)cn1 ZINC000162366862 384608269 /nfs/dbraw/zinc/60/82/69/384608269.db2.gz ZMTXASMYGMYFNG-KOLCDFICSA-N 0 3 242.363 3.013 20 0 BGADHN CC(C)(C)OCCNCc1ccccc1Cl ZINC000162366903 371666233 /nfs/dbraw/zinc/66/62/33/371666233.db2.gz HMUQPHROCRGBRK-UHFFFAOYSA-N 0 3 241.762 3.245 20 0 BGADHN CC[C@H](CSC)N[C@H](C)c1ccc(F)cn1 ZINC000162366998 384607651 /nfs/dbraw/zinc/60/76/51/384607651.db2.gz ZMTXASMYGMYFNG-MWLCHTKSSA-N 0 3 242.363 3.013 20 0 BGADHN CC[C@@H](CSC)N[C@@H](C)c1ccco1 ZINC000162370085 201839458 /nfs/dbraw/zinc/83/94/58/201839458.db2.gz CBFCRTUGDPIIFD-UWVGGRQHSA-N 0 3 213.346 3.072 20 0 BGADHN CC[C@H](CSC)N[C@@H](C)c1ccco1 ZINC000162370221 388158637 /nfs/dbraw/zinc/15/86/37/388158637.db2.gz CBFCRTUGDPIIFD-VHSXEESVSA-N 0 3 213.346 3.072 20 0 BGADHN CC[C@@H](CSC)N[C@H](C)c1ccco1 ZINC000162370365 388158527 /nfs/dbraw/zinc/15/85/27/388158527.db2.gz CBFCRTUGDPIIFD-ZJUUUORDSA-N 0 3 213.346 3.072 20 0 BGADHN CC[C@H](CSC)N[C@H](C)c1ccco1 ZINC000162370497 388158105 /nfs/dbraw/zinc/15/81/05/388158105.db2.gz CBFCRTUGDPIIFD-NXEZZACHSA-N 0 3 213.346 3.072 20 0 BGADHN CC[C@@H](CSC)N[C@@H](C)c1ccoc1 ZINC000162372242 323609278 /nfs/dbraw/zinc/60/92/78/323609278.db2.gz DQFOVPJWFLZMLU-ONGXEEELSA-N 0 3 213.346 3.072 20 0 BGADHN CC[C@H](CSC)N[C@@H](C)c1ccoc1 ZINC000162372377 387346576 /nfs/dbraw/zinc/34/65/76/387346576.db2.gz DQFOVPJWFLZMLU-GXSJLCMTSA-N 0 3 213.346 3.072 20 0 BGADHN CC[C@@H](CSC)N[C@H](C)c1ccoc1 ZINC000162372535 387347344 /nfs/dbraw/zinc/34/73/44/387347344.db2.gz DQFOVPJWFLZMLU-KOLCDFICSA-N 0 3 213.346 3.072 20 0 BGADHN CC[C@H](CSC)N[C@H](C)c1ccoc1 ZINC000162372666 387347757 /nfs/dbraw/zinc/34/77/57/387347757.db2.gz DQFOVPJWFLZMLU-MWLCHTKSSA-N 0 3 213.346 3.072 20 0 BGADHN CCc1nc([C@@H](C)N[C@@H](C)CC)cs1 ZINC000162372951 172001961 /nfs/dbraw/zinc/00/19/61/172001961.db2.gz QLZFXSAYGRLVSL-DTWKUNHWSA-N 0 3 212.362 3.155 20 0 BGADHN CCc1nc([C@H](C)N[C@@H](C)CC)cs1 ZINC000162373084 172005749 /nfs/dbraw/zinc/00/57/49/172005749.db2.gz QLZFXSAYGRLVSL-IUCAKERBSA-N 0 3 212.362 3.155 20 0 BGADHN CCc1nc([C@@H](C)N[C@H](C)CC)cs1 ZINC000162373192 172002051 /nfs/dbraw/zinc/00/20/51/172002051.db2.gz QLZFXSAYGRLVSL-RKDXNWHRSA-N 0 3 212.362 3.155 20 0 BGADHN CCc1nc([C@H](C)N[C@H](C)CC)cs1 ZINC000162373317 172007011 /nfs/dbraw/zinc/00/70/11/172007011.db2.gz QLZFXSAYGRLVSL-BDAKNGLRSA-N 0 3 212.362 3.155 20 0 BGADHN CC(C)n1ccnc1CN[C@H]1CCCC[C@H]1C ZINC000162380320 349680167 /nfs/dbraw/zinc/68/01/67/349680167.db2.gz DXEWWNSPKMDFTA-OLZOCXBDSA-N 0 3 235.375 3.132 20 0 BGADHN CC(C)n1ccnc1CN[C@H]1CCCC[C@@H]1C ZINC000162380456 349680256 /nfs/dbraw/zinc/68/02/56/349680256.db2.gz DXEWWNSPKMDFTA-STQMWFEESA-N 0 3 235.375 3.132 20 0 BGADHN CC(C)n1ccnc1CN[C@@H]1CCCC[C@H]1C ZINC000162380586 349680131 /nfs/dbraw/zinc/68/01/31/349680131.db2.gz DXEWWNSPKMDFTA-CHWSQXEVSA-N 0 3 235.375 3.132 20 0 BGADHN CC(C)n1ccnc1CN[C@@H]1CCCC[C@@H]1C ZINC000162380711 349680248 /nfs/dbraw/zinc/68/02/48/349680248.db2.gz DXEWWNSPKMDFTA-QWHCGFSZSA-N 0 3 235.375 3.132 20 0 BGADHN CC[C@@H](CSC)N[C@@H](C)c1ccc(C)o1 ZINC000162389207 388161007 /nfs/dbraw/zinc/16/10/07/388161007.db2.gz JSFSBTGKXHTLCB-QWRGUYRKSA-N 0 3 227.373 3.380 20 0 BGADHN CC[C@H](CSC)N[C@@H](C)c1ccc(C)o1 ZINC000162389333 384487680 /nfs/dbraw/zinc/48/76/80/384487680.db2.gz JSFSBTGKXHTLCB-WDEREUQCSA-N 0 3 227.373 3.380 20 0 BGADHN CC[C@@H](CSC)N[C@H](C)c1ccc(C)o1 ZINC000162389451 388160631 /nfs/dbraw/zinc/16/06/31/388160631.db2.gz JSFSBTGKXHTLCB-MNOVXSKESA-N 0 3 227.373 3.380 20 0 BGADHN CC[C@H](CSC)N[C@H](C)c1ccc(C)o1 ZINC000162389596 388160912 /nfs/dbraw/zinc/16/09/12/388160912.db2.gz JSFSBTGKXHTLCB-GHMZBOCLSA-N 0 3 227.373 3.380 20 0 BGADHN CO[C@@H](C)[C@H](C)N[C@@H](C)c1ccccc1Cl ZINC000162395408 384615309 /nfs/dbraw/zinc/61/53/09/384615309.db2.gz GIUIOUAVLNZLDZ-DCAQKATOSA-N 0 3 241.762 3.414 20 0 BGADHN CO[C@@H](C)[C@@H](C)N[C@@H](C)c1ccccc1Cl ZINC000162395560 384616030 /nfs/dbraw/zinc/61/60/30/384616030.db2.gz GIUIOUAVLNZLDZ-VWYCJHECSA-N 0 3 241.762 3.414 20 0 BGADHN Cc1cccc(CCN[C@@H](C)c2cscn2)c1 ZINC000162400855 179060067 /nfs/dbraw/zinc/06/00/67/179060067.db2.gz XIAPZSVGQNAFSL-LBPRGKRZSA-N 0 3 246.379 3.345 20 0 BGADHN Cc1cccc(CCN[C@H](C)c2cscn2)c1 ZINC000162400974 179059612 /nfs/dbraw/zinc/05/96/12/179059612.db2.gz XIAPZSVGQNAFSL-GFCCVEGCSA-N 0 3 246.379 3.345 20 0 BGADHN C[C@H](NC[C@@H]1Cc2ccccc21)c1cscn1 ZINC000162406693 538922602 /nfs/dbraw/zinc/92/26/02/538922602.db2.gz FXZHWLFEVDYFPD-JQWIXIFHSA-N 0 3 244.363 3.134 20 0 BGADHN C[C@@H](NC[C@@H]1Cc2ccccc21)c1cscn1 ZINC000162406826 538922831 /nfs/dbraw/zinc/92/28/31/538922831.db2.gz FXZHWLFEVDYFPD-PWSUYJOCSA-N 0 3 244.363 3.134 20 0 BGADHN C[C@H](NC[C@H]1Cc2ccccc21)c1cscn1 ZINC000162406954 538922098 /nfs/dbraw/zinc/92/20/98/538922098.db2.gz FXZHWLFEVDYFPD-CMPLNLGQSA-N 0 3 244.363 3.134 20 0 BGADHN C[C@@H](NC[C@H]1Cc2ccccc21)c1cscn1 ZINC000162407072 538922346 /nfs/dbraw/zinc/92/23/46/538922346.db2.gz FXZHWLFEVDYFPD-ZYHUDNBSSA-N 0 3 244.363 3.134 20 0 BGADHN Cc1ccsc1CNCc1cnccc1C ZINC000162428320 384620778 /nfs/dbraw/zinc/62/07/78/384620778.db2.gz XTMYYFJQSGUPFC-UHFFFAOYSA-N 0 3 232.352 3.050 20 0 BGADHN CC(C)(C)C1=CCN(Cc2cccc(N)c2)CC1 ZINC000162488536 487576627 /nfs/dbraw/zinc/57/66/27/487576627.db2.gz ILLOAEDAPCMPJT-UHFFFAOYSA-N 0 3 244.382 3.447 20 0 BGADHN CC(C)=CCN1CCC(OC(C)(C)C)CC1 ZINC000162503202 387391194 /nfs/dbraw/zinc/39/11/94/387391194.db2.gz VPWKQCSLWWVSGZ-UHFFFAOYSA-N 0 3 225.376 3.232 20 0 BGADHN CC[C@@H](c1ccncc1)N(C)C[C@@H]1CCCCO1 ZINC000162523393 346525968 /nfs/dbraw/zinc/52/59/68/346525968.db2.gz YSMNCXMTNRRIQR-GJZGRUSLSA-N 0 3 248.370 3.034 20 0 BGADHN CC[C@H](c1ccncc1)N(C)C[C@@H]1CCCCO1 ZINC000162523500 384640515 /nfs/dbraw/zinc/64/05/15/384640515.db2.gz YSMNCXMTNRRIQR-LSDHHAIUSA-N 0 3 248.370 3.034 20 0 BGADHN CCC[C@@H](CC)NCc1c(C)nn(C)c1Cl ZINC000162613496 169379422 /nfs/dbraw/zinc/37/94/22/169379422.db2.gz KALFYBNKPUNZRW-SNVBAGLBSA-N 0 3 243.782 3.050 20 0 BGADHN CCC[C@H](CC)NCc1c(C)nn(C)c1Cl ZINC000162613627 384652951 /nfs/dbraw/zinc/65/29/51/384652951.db2.gz KALFYBNKPUNZRW-JTQLQIEISA-N 0 3 243.782 3.050 20 0 BGADHN Cc1ccc(CNCc2cnccc2C)c(C)c1 ZINC000162633477 384657291 /nfs/dbraw/zinc/65/72/91/384657291.db2.gz NPYPTMJHKQCOTE-UHFFFAOYSA-N 0 3 240.350 3.297 20 0 BGADHN Cc1ccncc1CNCc1ccc(F)cc1C ZINC000162638413 349780180 /nfs/dbraw/zinc/78/01/80/349780180.db2.gz JZROALXMJMCCDK-UHFFFAOYSA-N 0 3 244.313 3.127 20 0 BGADHN Cc1ccc(C)c(CNCc2cnccc2C)c1 ZINC000162649543 349785815 /nfs/dbraw/zinc/78/58/15/349785815.db2.gz FARUNUHROJNWLQ-UHFFFAOYSA-N 0 3 240.350 3.297 20 0 BGADHN Cc1ccc(CNCc2cnccc2C)cc1C ZINC000162650239 349785683 /nfs/dbraw/zinc/78/56/83/349785683.db2.gz XJZAPNKFNBXKLQ-UHFFFAOYSA-N 0 3 240.350 3.297 20 0 BGADHN CCc1ccc(CNCc2cnccc2C)s1 ZINC000162653368 386092359 /nfs/dbraw/zinc/09/23/59/386092359.db2.gz OZNLEKLBIQWCRA-UHFFFAOYSA-N 0 3 246.379 3.304 20 0 BGADHN Cc1ccncc1CNCc1cccc(C)c1C ZINC000162663821 349790412 /nfs/dbraw/zinc/79/04/12/349790412.db2.gz GVGDOMUBOKTCIZ-UHFFFAOYSA-N 0 3 240.350 3.297 20 0 BGADHN Cc1ccncc1CNCc1ccc(F)c(C)c1 ZINC000162667525 178026218 /nfs/dbraw/zinc/02/62/18/178026218.db2.gz OEBPYCPLKPPHNI-UHFFFAOYSA-N 0 3 244.313 3.127 20 0 BGADHN C[C@H](NCc1cc(Cl)ccc1F)C1CC1 ZINC000162678845 136222175 /nfs/dbraw/zinc/22/21/75/136222175.db2.gz AQWBYEWHLWXMAB-QMMMGPOBSA-N 0 3 227.710 3.367 20 0 BGADHN C[C@@H](NCc1cc(Cl)ccc1F)C1CC1 ZINC000162678966 388251990 /nfs/dbraw/zinc/25/19/90/388251990.db2.gz AQWBYEWHLWXMAB-MRVPVSSYSA-N 0 3 227.710 3.367 20 0 BGADHN C[C@@H]1C[C@@H]1CNCc1cc(Cl)ccc1F ZINC000162681448 202037911 /nfs/dbraw/zinc/03/79/11/202037911.db2.gz YNAORSDEOUOXNT-RKDXNWHRSA-N 0 3 227.710 3.225 20 0 BGADHN C[C@H]1C[C@@H]1CNCc1cc(Cl)ccc1F ZINC000162681566 385286535 /nfs/dbraw/zinc/28/65/35/385286535.db2.gz YNAORSDEOUOXNT-DTWKUNHWSA-N 0 3 227.710 3.225 20 0 BGADHN C[C@@H]1C[C@H]1CNCc1cc(Cl)ccc1F ZINC000162681692 202039956 /nfs/dbraw/zinc/03/99/56/202039956.db2.gz YNAORSDEOUOXNT-BDAKNGLRSA-N 0 3 227.710 3.225 20 0 BGADHN C[C@H]1C[C@H]1CNCc1cc(Cl)ccc1F ZINC000162681823 202040364 /nfs/dbraw/zinc/04/03/64/202040364.db2.gz YNAORSDEOUOXNT-IUCAKERBSA-N 0 3 227.710 3.225 20 0 BGADHN CC1(C)C[C@@H]1NCc1cc(Cl)ccc1F ZINC000162683668 384667105 /nfs/dbraw/zinc/66/71/05/384667105.db2.gz QJGXPFQHDLGWEL-NSHDSACASA-N 0 3 227.710 3.367 20 0 BGADHN CC1(C)C[C@H]1NCc1cc(Cl)ccc1F ZINC000162683806 361359991 /nfs/dbraw/zinc/35/99/91/361359991.db2.gz QJGXPFQHDLGWEL-LLVKDONJSA-N 0 3 227.710 3.367 20 0 BGADHN Fc1ccc(Cl)cc1CNCC1CCC1 ZINC000162688369 361360219 /nfs/dbraw/zinc/36/02/19/361360219.db2.gz HQZIYTDDVFXRBS-UHFFFAOYSA-N 0 3 227.710 3.369 20 0 BGADHN Cc1cc(C)cc(CNCc2cnccc2C)c1 ZINC000162693549 350413600 /nfs/dbraw/zinc/41/36/00/350413600.db2.gz KTJNULBBLFGMNU-UHFFFAOYSA-N 0 3 240.350 3.297 20 0 BGADHN Cn1ccc(CN2CCC[C@@H]2c2cccs2)c1 ZINC000162694385 384667357 /nfs/dbraw/zinc/66/73/57/384667357.db2.gz YJTSAIJATOCPKT-CYBMUJFWSA-N 0 3 246.379 3.424 20 0 BGADHN Cn1ccc(CN2CCC[C@H]2c2cccs2)c1 ZINC000162694519 384668575 /nfs/dbraw/zinc/66/85/75/384668575.db2.gz YJTSAIJATOCPKT-ZDUSSCGKSA-N 0 3 246.379 3.424 20 0 BGADHN CCc1ccc(CNCc2cnccc2C)cc1 ZINC000162701661 350418032 /nfs/dbraw/zinc/41/80/32/350418032.db2.gz WQWHKTWRYOYENE-UHFFFAOYSA-N 0 3 240.350 3.242 20 0 BGADHN Cc1ccncc1CNCc1c(C)cccc1C ZINC000162704704 350418135 /nfs/dbraw/zinc/41/81/35/350418135.db2.gz WVTRGPOOQCEJPE-UHFFFAOYSA-N 0 3 240.350 3.297 20 0 BGADHN c1csc([C@@H]2CCCN2CC2=CCCOC2)c1 ZINC000162709647 384670559 /nfs/dbraw/zinc/67/05/59/384670559.db2.gz MWSVRMYPVVPXAP-ZDUSSCGKSA-N 0 3 249.379 3.232 20 0 BGADHN c1csc([C@H]2CCCN2CC2=CCCOC2)c1 ZINC000162709764 191118344 /nfs/dbraw/zinc/11/83/44/191118344.db2.gz MWSVRMYPVVPXAP-CYBMUJFWSA-N 0 3 249.379 3.232 20 0 BGADHN CC1CC(NCc2cc(Cl)ccc2F)C1 ZINC000162710273 388252392 /nfs/dbraw/zinc/25/23/92/388252392.db2.gz JVUUFHLNGMKDFC-UHFFFAOYSA-N 0 3 227.710 3.367 20 0 BGADHN Cc1cc(CNCc2cnccc2C)c(C)s1 ZINC000162715588 343205894 /nfs/dbraw/zinc/20/58/94/343205894.db2.gz ADMWYVQXTNDWCA-UHFFFAOYSA-N 0 3 246.379 3.358 20 0 BGADHN Cc1n[nH]cc1CN1CCC[C@@H]1c1cccs1 ZINC000162719573 384670621 /nfs/dbraw/zinc/67/06/21/384670621.db2.gz GZWDHKAGOJLSKH-GFCCVEGCSA-N 0 3 247.367 3.117 20 0 BGADHN Cc1n[nH]cc1CN1CCC[C@H]1c1cccs1 ZINC000162719720 384672552 /nfs/dbraw/zinc/67/25/52/384672552.db2.gz GZWDHKAGOJLSKH-LBPRGKRZSA-N 0 3 247.367 3.117 20 0 BGADHN CCc1noc(C)c1CN(CC(C)C)C1CC1 ZINC000162728906 202047168 /nfs/dbraw/zinc/04/71/68/202047168.db2.gz HEHPIYVUWAKKEI-UHFFFAOYSA-N 0 3 236.359 3.166 20 0 BGADHN CCCN(CCC)Cc1c(C)onc1CC ZINC000162740452 202050747 /nfs/dbraw/zinc/05/07/47/202050747.db2.gz AZXVWUAXODQURA-UHFFFAOYSA-N 0 3 224.348 3.167 20 0 BGADHN CCCCN(CC)Cc1c(C)onc1CC ZINC000162741563 202051786 /nfs/dbraw/zinc/05/17/86/202051786.db2.gz PBSAATQTUKBYLF-UHFFFAOYSA-N 0 3 224.348 3.167 20 0 BGADHN CCc1noc(C)c1CN(C1CC1)C1CCCC1 ZINC000162754241 387519259 /nfs/dbraw/zinc/51/92/59/387519259.db2.gz AKKHEJRFTKEJHN-UHFFFAOYSA-N 0 3 248.370 3.452 20 0 BGADHN Cc1ccncc1CNC/C=C/c1ccccc1 ZINC000162773925 350423764 /nfs/dbraw/zinc/42/37/64/350423764.db2.gz IVIVFGTUUPFVML-VMPITWQZSA-N 0 3 238.334 3.193 20 0 BGADHN CCc1noc(C)c1CN1CCC[C@H](CC)C1 ZINC000162794348 202068683 /nfs/dbraw/zinc/06/86/83/202068683.db2.gz COFFKXXYIXSZJE-LBPRGKRZSA-N 0 3 236.359 3.167 20 0 BGADHN CCc1noc(C)c1CN1CCC[C@@H](CC)C1 ZINC000162794509 201510416 /nfs/dbraw/zinc/51/04/16/201510416.db2.gz COFFKXXYIXSZJE-GFCCVEGCSA-N 0 3 236.359 3.167 20 0 BGADHN Fc1cc(F)cc(CNCCC(F)(F)F)c1 ZINC000162835797 133535908 /nfs/dbraw/zinc/53/59/08/133535908.db2.gz MHTYMGGCMZKYFA-UHFFFAOYSA-N 0 3 239.187 3.007 20 0 BGADHN CC(C)n1ccc(CNC[C@@H](C)C(C)(C)C)n1 ZINC000162853799 538925281 /nfs/dbraw/zinc/92/52/81/538925281.db2.gz MEHWNDBOARQLKF-GFCCVEGCSA-N 0 3 237.391 3.236 20 0 BGADHN CC(C)n1ccc(CNC[C@H](C)C(C)(C)C)n1 ZINC000162853906 538925114 /nfs/dbraw/zinc/92/51/14/538925114.db2.gz MEHWNDBOARQLKF-LBPRGKRZSA-N 0 3 237.391 3.236 20 0 BGADHN CCc1noc(C)c1CN(CC)C1CCCC1 ZINC000162882952 202090101 /nfs/dbraw/zinc/09/01/01/202090101.db2.gz NIUYMNAZZDZVLA-UHFFFAOYSA-N 0 3 236.359 3.310 20 0 BGADHN CC1(C)C[C@@H]1NCc1ccc(Cl)cc1F ZINC000162961505 397960150 /nfs/dbraw/zinc/96/01/50/397960150.db2.gz SXWINYWNTRJQFY-NSHDSACASA-N 0 3 227.710 3.367 20 0 BGADHN CC1(C)C[C@H]1NCc1ccc(Cl)cc1F ZINC000162961616 388255204 /nfs/dbraw/zinc/25/52/04/388255204.db2.gz SXWINYWNTRJQFY-LLVKDONJSA-N 0 3 227.710 3.367 20 0 BGADHN CSCCCNCc1ccc(Cl)cc1F ZINC000162964789 487794535 /nfs/dbraw/zinc/79/45/35/487794535.db2.gz UVUNIYLUQYCAOM-UHFFFAOYSA-N 0 3 247.766 3.322 20 0 BGADHN Fc1cc(Cl)ccc1CNCCC1CC1 ZINC000162967340 538925949 /nfs/dbraw/zinc/92/59/49/538925949.db2.gz DVPYMAONZAVHCC-UHFFFAOYSA-N 0 3 227.710 3.369 20 0 BGADHN C[C@@H]1C[C@@H]1CNCc1ccc(Cl)cc1F ZINC000162976065 202126082 /nfs/dbraw/zinc/12/60/82/202126082.db2.gz MYJCCOYVLSQBGI-PSASIEDQSA-N 0 3 227.710 3.225 20 0 BGADHN C[C@H]1C[C@@H]1CNCc1ccc(Cl)cc1F ZINC000162976147 202126190 /nfs/dbraw/zinc/12/61/90/202126190.db2.gz MYJCCOYVLSQBGI-WCBMZHEXSA-N 0 3 227.710 3.225 20 0 BGADHN C[C@@H]1C[C@H]1CNCc1ccc(Cl)cc1F ZINC000162976242 202126109 /nfs/dbraw/zinc/12/61/09/202126109.db2.gz MYJCCOYVLSQBGI-SCZZXKLOSA-N 0 3 227.710 3.225 20 0 BGADHN C[C@H]1C[C@H]1CNCc1ccc(Cl)cc1F ZINC000162976337 202126093 /nfs/dbraw/zinc/12/60/93/202126093.db2.gz MYJCCOYVLSQBGI-WPRPVWTQSA-N 0 3 227.710 3.225 20 0 BGADHN CSC[C@H](C)NCc1ccc(Cl)cc1F ZINC000162978089 386467961 /nfs/dbraw/zinc/46/79/61/386467961.db2.gz STRWNZQXUMDLSV-QMMMGPOBSA-N 0 3 247.766 3.320 20 0 BGADHN CSC[C@@H](C)NCc1ccc(Cl)cc1F ZINC000162978184 397961264 /nfs/dbraw/zinc/96/12/64/397961264.db2.gz STRWNZQXUMDLSV-MRVPVSSYSA-N 0 3 247.766 3.320 20 0 BGADHN CC1(NCc2ccc(Cl)cc2F)CC1 ZINC000162981371 371902392 /nfs/dbraw/zinc/90/23/92/371902392.db2.gz VIUYJFRUMHSIEO-UHFFFAOYSA-N 0 3 213.683 3.121 20 0 BGADHN CC(C)n1ccnc1CN[C@H]1CCC[C@@H](C)[C@H]1C ZINC000163030972 350495316 /nfs/dbraw/zinc/49/53/16/350495316.db2.gz AZACBWXNBGGAQS-MCIONIFRSA-N 0 3 249.402 3.378 20 0 BGADHN CC(C)n1ccnc1CN[C@H]1CCC[C@H](C)[C@H]1C ZINC000163031097 350495853 /nfs/dbraw/zinc/49/58/53/350495853.db2.gz AZACBWXNBGGAQS-MJBXVCDLSA-N 0 3 249.402 3.378 20 0 BGADHN CC(C)n1ccnc1CN[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000163031209 350496569 /nfs/dbraw/zinc/49/65/69/350496569.db2.gz AZACBWXNBGGAQS-MGPQQGTHSA-N 0 3 249.402 3.378 20 0 BGADHN CC(C)n1ccnc1CN[C@@H]1CCC[C@H](C)[C@H]1C ZINC000163031328 350496999 /nfs/dbraw/zinc/49/69/99/350496999.db2.gz AZACBWXNBGGAQS-BFHYXJOUSA-N 0 3 249.402 3.378 20 0 BGADHN CCN[C@@H](C)c1ccc(Br)cc1F ZINC000163042819 170140813 /nfs/dbraw/zinc/14/08/13/170140813.db2.gz VJFWALCTRQOUFE-ZETCQYMHSA-N 0 3 246.123 3.259 20 0 BGADHN CCN[C@H](C)c1ccc(Br)cc1F ZINC000163042921 170159299 /nfs/dbraw/zinc/15/92/99/170159299.db2.gz VJFWALCTRQOUFE-SSDOTTSWSA-N 0 3 246.123 3.259 20 0 BGADHN C[C@@H](N[C@@H]1CC[C@@H](C)CC1)c1nccs1 ZINC000163114096 176214721 /nfs/dbraw/zinc/21/47/21/176214721.db2.gz VQQRBJVJMKQEJM-MXWKQRLJSA-N 0 3 224.373 3.372 20 0 BGADHN C[C@H](N[C@@H]1CC[C@@H](C)CC1)c1nccs1 ZINC000163114232 176213337 /nfs/dbraw/zinc/21/33/37/176213337.db2.gz VQQRBJVJMKQEJM-GARJFASQSA-N 0 3 224.373 3.372 20 0 BGADHN C[C@@H](C1CC1)N(C)Cc1nc2ccc(F)cc2o1 ZINC000163145548 346549781 /nfs/dbraw/zinc/54/97/81/346549781.db2.gz SRUACNUTAHLHFP-VIFPVBQESA-N 0 3 248.301 3.197 20 0 BGADHN C[C@H](C1CC1)N(C)Cc1nc2ccc(F)cc2o1 ZINC000163145650 346549824 /nfs/dbraw/zinc/54/98/24/346549824.db2.gz SRUACNUTAHLHFP-SECBINFHSA-N 0 3 248.301 3.197 20 0 BGADHN CC[C@@H](CSC)NCc1cc(F)cc(F)c1 ZINC000163174805 350508769 /nfs/dbraw/zinc/50/87/69/350508769.db2.gz RXYHSKPJHITMKF-LBPRGKRZSA-N 0 3 245.338 3.196 20 0 BGADHN CC[C@H](CSC)NCc1cc(F)cc(F)c1 ZINC000163174919 350508695 /nfs/dbraw/zinc/50/86/95/350508695.db2.gz RXYHSKPJHITMKF-GFCCVEGCSA-N 0 3 245.338 3.196 20 0 BGADHN CCN[C@@H](C)c1c(F)cccc1Cl ZINC000163180303 170141042 /nfs/dbraw/zinc/14/10/42/170141042.db2.gz YTQVCJOKFOWAAI-ZETCQYMHSA-N 0 3 201.672 3.150 20 0 BGADHN CCN[C@H](C)c1c(F)cccc1Cl ZINC000163180383 170159069 /nfs/dbraw/zinc/15/90/69/170159069.db2.gz YTQVCJOKFOWAAI-SSDOTTSWSA-N 0 3 201.672 3.150 20 0 BGADHN CC[C@H](NC1CC(C)C1)c1ccc(F)cn1 ZINC000163182988 350512490 /nfs/dbraw/zinc/51/24/90/350512490.db2.gz NUVCTBFBDGZFLJ-NHNAUAITSA-N 0 3 222.307 3.060 20 0 BGADHN CC[C@@H](NC1CC(C)C1)c1ccc(F)cn1 ZINC000163183120 350512830 /nfs/dbraw/zinc/51/28/30/350512830.db2.gz NUVCTBFBDGZFLJ-QEWOUOOISA-N 0 3 222.307 3.060 20 0 BGADHN CC[C@H](NC[C@@H](C)SC)c1ccc(F)cn1 ZINC000163184615 350512801 /nfs/dbraw/zinc/51/28/01/350512801.db2.gz HMDHQYLXCBQIFS-KOLCDFICSA-N 0 3 242.363 3.013 20 0 BGADHN CC[C@@H](NC[C@@H](C)SC)c1ccc(F)cn1 ZINC000163184731 350512736 /nfs/dbraw/zinc/51/27/36/350512736.db2.gz HMDHQYLXCBQIFS-MWLCHTKSSA-N 0 3 242.363 3.013 20 0 BGADHN CC[C@H](NC[C@H](C)SC)c1ccc(F)cn1 ZINC000163184852 350512295 /nfs/dbraw/zinc/51/22/95/350512295.db2.gz HMDHQYLXCBQIFS-ONGXEEELSA-N 0 3 242.363 3.013 20 0 BGADHN CC[C@@H](NC[C@H](C)SC)c1ccc(F)cn1 ZINC000163184979 350512696 /nfs/dbraw/zinc/51/26/96/350512696.db2.gz HMDHQYLXCBQIFS-GXSJLCMTSA-N 0 3 242.363 3.013 20 0 BGADHN C[C@@H](CCCC(F)(F)F)NCc1ccccn1 ZINC000163206621 350509820 /nfs/dbraw/zinc/50/98/20/350509820.db2.gz GKESBBGZOSHWBT-JTQLQIEISA-N 0 3 246.276 3.292 20 0 BGADHN C[C@H](CCCC(F)(F)F)NCc1ccccn1 ZINC000163206732 350509687 /nfs/dbraw/zinc/50/96/87/350509687.db2.gz GKESBBGZOSHWBT-SNVBAGLBSA-N 0 3 246.276 3.292 20 0 BGADHN Cc1ccc(F)cc1CN[C@@H]1CC1(C)C ZINC000163235254 388260365 /nfs/dbraw/zinc/26/03/65/388260365.db2.gz IWAQYVXFCDUJFA-GFCCVEGCSA-N 0 3 207.292 3.022 20 0 BGADHN Cc1ccc(F)cc1CN[C@H]1CC1(C)C ZINC000163235366 361406422 /nfs/dbraw/zinc/40/64/22/361406422.db2.gz IWAQYVXFCDUJFA-LBPRGKRZSA-N 0 3 207.292 3.022 20 0 BGADHN Cc1ccc(F)cc1CNCCC(F)(F)F ZINC000163248248 350511954 /nfs/dbraw/zinc/51/19/54/350511954.db2.gz HRKUYSOMNBJMMA-UHFFFAOYSA-N 0 3 235.224 3.176 20 0 BGADHN CCc1noc(C)c1CN(C)CC1CCCC1 ZINC000163253625 202327176 /nfs/dbraw/zinc/32/71/76/202327176.db2.gz PHGXKCRKNJBFEY-UHFFFAOYSA-N 0 3 236.359 3.167 20 0 BGADHN CCc1noc(C)c1CN(C)C(C1CC1)C1CC1 ZINC000163280152 326317829 /nfs/dbraw/zinc/31/78/29/326317829.db2.gz QNVVVCXAZLJQGA-UHFFFAOYSA-N 0 3 248.370 3.166 20 0 BGADHN c1csc(CNCc2cccc3c2NCC3)c1 ZINC000163288700 384222173 /nfs/dbraw/zinc/22/21/73/384222173.db2.gz SQBXFANAIXHDPM-UHFFFAOYSA-N 0 3 244.363 3.006 20 0 BGADHN CCN(Cc1nc2ccc(F)cc2o1)C(C)C ZINC000163319667 388360875 /nfs/dbraw/zinc/36/08/75/388360875.db2.gz UQFCKNOEPICTEH-UHFFFAOYSA-N 0 3 236.290 3.197 20 0 BGADHN COc1ccc([C@H](C)NC2CC(C)C2)c(OC)c1 ZINC000163386225 175188639 /nfs/dbraw/zinc/18/86/39/175188639.db2.gz KTMIIQGFWRHAFB-CXQJBGSLSA-N 0 3 249.354 3.153 20 0 BGADHN COc1ccc([C@@H](C)NC2CC(C)C2)c(OC)c1 ZINC000163386335 386157895 /nfs/dbraw/zinc/15/78/95/386157895.db2.gz KTMIIQGFWRHAFB-MOENNCHZSA-N 0 3 249.354 3.153 20 0 BGADHN COc1ccc(OC)c([C@H](C)NC2CC(C)C2)c1 ZINC000163393101 350518295 /nfs/dbraw/zinc/51/82/95/350518295.db2.gz SYFYJQFCQFLLES-CXQJBGSLSA-N 0 3 249.354 3.153 20 0 BGADHN COc1ccc(OC)c([C@@H](C)NC2CC(C)C2)c1 ZINC000163393179 350517639 /nfs/dbraw/zinc/51/76/39/350517639.db2.gz SYFYJQFCQFLLES-MOENNCHZSA-N 0 3 249.354 3.153 20 0 BGADHN COc1ccc(C)cc1[C@@H](C)NC1CC(C)C1 ZINC000163394914 388279183 /nfs/dbraw/zinc/27/91/83/388279183.db2.gz SVNKUDMTFVIDKK-OTTFEQOBSA-N 0 3 233.355 3.453 20 0 BGADHN COc1ccc(C)cc1[C@H](C)NC1CC(C)C1 ZINC000163395031 202434835 /nfs/dbraw/zinc/43/48/35/202434835.db2.gz SVNKUDMTFVIDKK-CPCZMJQVSA-N 0 3 233.355 3.453 20 0 BGADHN COc1cc(C)ccc1[C@@H](C)NC1CC(C)C1 ZINC000163396537 388361700 /nfs/dbraw/zinc/36/17/00/388361700.db2.gz HEMTVRCGXGDMKY-OTTFEQOBSA-N 0 3 233.355 3.453 20 0 BGADHN COc1cc(C)ccc1[C@H](C)NC1CC(C)C1 ZINC000163396668 388362262 /nfs/dbraw/zinc/36/22/62/388362262.db2.gz HEMTVRCGXGDMKY-CPCZMJQVSA-N 0 3 233.355 3.453 20 0 BGADHN COc1ccc([C@H](C)NC2CC(C)C2)c(F)c1 ZINC000163397961 175188416 /nfs/dbraw/zinc/18/84/16/175188416.db2.gz WENCHPJPOCDQKA-YVNMAJEFSA-N 0 3 237.318 3.283 20 0 BGADHN COc1ccc([C@@H](C)NC2CC(C)C2)c(F)c1 ZINC000163398084 384797998 /nfs/dbraw/zinc/79/79/98/384797998.db2.gz WENCHPJPOCDQKA-HSOILSAZSA-N 0 3 237.318 3.283 20 0 BGADHN CCc1noc(C)c1CN(C)CC(C)(C)C ZINC000163419945 388284899 /nfs/dbraw/zinc/28/48/99/388284899.db2.gz LABHBTXGXZWKSL-UHFFFAOYSA-N 0 3 224.348 3.023 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1NCc1ncc(C)o1 ZINC000163421386 388284903 /nfs/dbraw/zinc/28/49/03/388284903.db2.gz DCWXGIRRNYWXNL-NEPJUHHUSA-N 0 3 222.332 3.041 20 0 BGADHN CC[C@H]1CCCC[C@@H]1NCc1ncc(C)o1 ZINC000163421506 388284786 /nfs/dbraw/zinc/28/47/86/388284786.db2.gz DCWXGIRRNYWXNL-RYUDHWBXSA-N 0 3 222.332 3.041 20 0 BGADHN CC[C@@H]1CCCC[C@H]1NCc1ncc(C)o1 ZINC000163421631 388285083 /nfs/dbraw/zinc/28/50/83/388285083.db2.gz DCWXGIRRNYWXNL-VXGBXAGGSA-N 0 3 222.332 3.041 20 0 BGADHN CC[C@H]1CCCC[C@H]1NCc1ncc(C)o1 ZINC000163421764 388288213 /nfs/dbraw/zinc/28/82/13/388288213.db2.gz DCWXGIRRNYWXNL-NWDGAFQWSA-N 0 3 222.332 3.041 20 0 BGADHN CC[C@@H](C)N(C)Cc1nc2ccc(F)cc2o1 ZINC000163428245 323076962 /nfs/dbraw/zinc/07/69/62/323076962.db2.gz LUVXHDGEUDLICB-SECBINFHSA-N 0 3 236.290 3.197 20 0 BGADHN CC[C@H](C)N(C)Cc1nc2ccc(F)cc2o1 ZINC000163428366 388362568 /nfs/dbraw/zinc/36/25/68/388362568.db2.gz LUVXHDGEUDLICB-VIFPVBQESA-N 0 3 236.290 3.197 20 0 BGADHN C[C@H](NCc1ccc(CO)cc1)c1ccccc1 ZINC000163450363 384805748 /nfs/dbraw/zinc/80/57/48/384805748.db2.gz DDEOKGUBVLBKKF-ZDUSSCGKSA-N 0 3 241.334 3.030 20 0 BGADHN C[C@@H](NCc1ccc(CO)cc1)c1ccccc1 ZINC000163450488 384805686 /nfs/dbraw/zinc/80/56/86/384805686.db2.gz DDEOKGUBVLBKKF-CYBMUJFWSA-N 0 3 241.334 3.030 20 0 BGADHN CCOCCCN[C@@H](CC)c1ccccc1F ZINC000163452228 170382379 /nfs/dbraw/zinc/38/23/79/170382379.db2.gz OQTQFRCPADYPLK-AWEZNQCLSA-N 0 3 239.334 3.293 20 0 BGADHN CCOCCCN[C@H](CC)c1ccccc1F ZINC000163452343 170383099 /nfs/dbraw/zinc/38/30/99/170383099.db2.gz OQTQFRCPADYPLK-CQSZACIVSA-N 0 3 239.334 3.293 20 0 BGADHN CC[C@H](NC[C@@H]1CCCO1)c1ccccc1F ZINC000163456247 386167273 /nfs/dbraw/zinc/16/72/73/386167273.db2.gz DSAOQPIMYDSWRT-FZMZJTMJSA-N 0 3 237.318 3.045 20 0 BGADHN CC[C@@H](NC[C@@H]1CCCO1)c1ccccc1F ZINC000163456362 386165576 /nfs/dbraw/zinc/16/55/76/386165576.db2.gz DSAOQPIMYDSWRT-SMDDNHRTSA-N 0 3 237.318 3.045 20 0 BGADHN CC[C@H](NC[C@H]1CCCO1)c1ccccc1F ZINC000163456477 386165856 /nfs/dbraw/zinc/16/58/56/386165856.db2.gz DSAOQPIMYDSWRT-RISCZKNCSA-N 0 3 237.318 3.045 20 0 BGADHN CC[C@@H](NC[C@H]1CCCO1)c1ccccc1F ZINC000163456530 386167107 /nfs/dbraw/zinc/16/71/07/386167107.db2.gz DSAOQPIMYDSWRT-BXUZGUMPSA-N 0 3 237.318 3.045 20 0 BGADHN CCc1noc(C)c1CN1[C@H](C)CCC[C@@H]1C ZINC000163482973 350526351 /nfs/dbraw/zinc/52/63/51/350526351.db2.gz FDZCCDMIYADFQE-PHIMTYICSA-N 0 3 236.359 3.308 20 0 BGADHN CCc1noc(C)c1CN1[C@@H](C)CCC[C@@H]1C ZINC000163483088 134987868 /nfs/dbraw/zinc/98/78/68/134987868.db2.gz FDZCCDMIYADFQE-QWRGUYRKSA-N 0 3 236.359 3.308 20 0 BGADHN CCc1noc(C)c1CN1[C@H](C)CCC[C@H]1C ZINC000163483211 350526148 /nfs/dbraw/zinc/52/61/48/350526148.db2.gz FDZCCDMIYADFQE-GHMZBOCLSA-N 0 3 236.359 3.308 20 0 BGADHN CCCN(Cc1nc2ccc(F)cc2o1)C1CC1 ZINC000163489006 323063230 /nfs/dbraw/zinc/06/32/30/323063230.db2.gz JZLITGJILVESCY-UHFFFAOYSA-N 0 3 248.301 3.341 20 0 BGADHN C[C@@H](CCCC(F)(F)F)N[C@@H](C)c1ncc[nH]1 ZINC000163501110 538928668 /nfs/dbraw/zinc/92/86/68/538928668.db2.gz PJUTVFYMIUGMLI-IUCAKERBSA-N 0 3 249.280 3.181 20 0 BGADHN C[C@H](CCCC(F)(F)F)N[C@@H](C)c1ncc[nH]1 ZINC000163501195 538928674 /nfs/dbraw/zinc/92/86/74/538928674.db2.gz PJUTVFYMIUGMLI-BDAKNGLRSA-N 0 3 249.280 3.181 20 0 BGADHN C[C@@H](N[C@@H](C)CCCC(F)(F)F)c1ncc[nH]1 ZINC000163501277 538928648 /nfs/dbraw/zinc/92/86/48/538928648.db2.gz PJUTVFYMIUGMLI-DTWKUNHWSA-N 0 3 249.280 3.181 20 0 BGADHN C[C@H](CCCC(F)(F)F)N[C@H](C)c1ncc[nH]1 ZINC000163501341 538928803 /nfs/dbraw/zinc/92/88/03/538928803.db2.gz PJUTVFYMIUGMLI-RKDXNWHRSA-N 0 3 249.280 3.181 20 0 BGADHN CC[C@@H]1CCCN(CCc2csc(C)n2)C1 ZINC000163590552 388365584 /nfs/dbraw/zinc/36/55/84/388365584.db2.gz GUCNUPIUPRAYON-GFCCVEGCSA-N 0 3 238.400 3.116 20 0 BGADHN CC[C@H]1CCCN(CCc2csc(C)n2)C1 ZINC000163590669 388365264 /nfs/dbraw/zinc/36/52/64/388365264.db2.gz GUCNUPIUPRAYON-LBPRGKRZSA-N 0 3 238.400 3.116 20 0 BGADHN Cc1nc(CCN(C)Cc2ccccc2)cs1 ZINC000163627099 384837152 /nfs/dbraw/zinc/83/71/52/384837152.db2.gz JDHWIFUDZCWEEC-UHFFFAOYSA-N 0 3 246.379 3.126 20 0 BGADHN C[C@H](N[C@@H]1CCC(C)(C)C1)c1ccc(F)cn1 ZINC000163634372 136278924 /nfs/dbraw/zinc/27/89/24/136278924.db2.gz JESASNBSKUYNDU-CMPLNLGQSA-N 0 3 236.334 3.450 20 0 BGADHN C[C@@H](N[C@@H]1CCC(C)(C)C1)c1ccc(F)cn1 ZINC000163634509 136279126 /nfs/dbraw/zinc/27/91/26/136279126.db2.gz JESASNBSKUYNDU-ZYHUDNBSSA-N 0 3 236.334 3.450 20 0 BGADHN C[C@H](N[C@H]1CCC(C)(C)C1)c1ccc(F)cn1 ZINC000163634644 136279120 /nfs/dbraw/zinc/27/91/20/136279120.db2.gz JESASNBSKUYNDU-JQWIXIFHSA-N 0 3 236.334 3.450 20 0 BGADHN C[C@@H](N[C@H]1CCC(C)(C)C1)c1ccc(F)cn1 ZINC000163634763 136278967 /nfs/dbraw/zinc/27/89/67/136278967.db2.gz JESASNBSKUYNDU-PWSUYJOCSA-N 0 3 236.334 3.450 20 0 BGADHN Clc1ccc(CCNCc2ccco2)s1 ZINC000163639022 409821085 /nfs/dbraw/zinc/82/10/85/409821085.db2.gz PWQCFGXYBRWDPM-UHFFFAOYSA-N 0 3 241.743 3.327 20 0 BGADHN C[C@H](NCc1cc(-c2ccccc2)on1)C1CC1 ZINC000163711034 384849430 /nfs/dbraw/zinc/84/94/30/384849430.db2.gz YAQPVYIXWCLRJP-NSHDSACASA-N 0 3 242.322 3.230 20 0 BGADHN C[C@@H](NCc1cc(-c2ccccc2)on1)C1CC1 ZINC000163711144 175895272 /nfs/dbraw/zinc/89/52/72/175895272.db2.gz YAQPVYIXWCLRJP-LLVKDONJSA-N 0 3 242.322 3.230 20 0 BGADHN C[C@H](NCc1coc(-c2cccs2)n1)C1CC1 ZINC000163712318 384847951 /nfs/dbraw/zinc/84/79/51/384847951.db2.gz ZSAKFTFBWRZDSX-VIFPVBQESA-N 0 3 248.351 3.291 20 0 BGADHN C[C@@H](NCc1coc(-c2cccs2)n1)C1CC1 ZINC000163712445 384848102 /nfs/dbraw/zinc/84/81/02/384848102.db2.gz ZSAKFTFBWRZDSX-SECBINFHSA-N 0 3 248.351 3.291 20 0 BGADHN C[C@H](NCCOC(C)(C)C)c1ccsc1 ZINC000163719100 388366534 /nfs/dbraw/zinc/36/65/34/388366534.db2.gz SMXHVNJZVKMLIA-JTQLQIEISA-N 0 3 227.373 3.214 20 0 BGADHN C[C@@H](NCCOC(C)(C)C)c1ccsc1 ZINC000163719213 388367042 /nfs/dbraw/zinc/36/70/42/388367042.db2.gz SMXHVNJZVKMLIA-SNVBAGLBSA-N 0 3 227.373 3.214 20 0 BGADHN Cc1ccc([C@@H](C)NCCOC(C)(C)C)o1 ZINC000163720058 384852900 /nfs/dbraw/zinc/85/29/00/384852900.db2.gz VUSJAGYZPLIKSY-LLVKDONJSA-N 0 3 225.332 3.054 20 0 BGADHN Cc1ccc([C@H](C)NCCOC(C)(C)C)o1 ZINC000163720191 384852924 /nfs/dbraw/zinc/85/29/24/384852924.db2.gz VUSJAGYZPLIKSY-NSHDSACASA-N 0 3 225.332 3.054 20 0 BGADHN C[C@H](NC1CC(C)C1)c1nc2ccccc2n1C ZINC000163749167 168146903 /nfs/dbraw/zinc/14/69/03/168146903.db2.gz QQDWTEGKOPNXOG-CXQJBGSLSA-N 0 3 243.354 3.022 20 0 BGADHN C[C@@H](NC1CC(C)C1)c1nc2ccccc2n1C ZINC000163749305 168148383 /nfs/dbraw/zinc/14/83/83/168148383.db2.gz QQDWTEGKOPNXOG-MOENNCHZSA-N 0 3 243.354 3.022 20 0 BGADHN CCCC[C@@H]1CCC[C@@H]1N[C@@H](C)c1cnccn1 ZINC000163770427 388367491 /nfs/dbraw/zinc/36/74/91/388367491.db2.gz MNQORNHBIFJFJJ-MJBXVCDLSA-N 0 3 247.386 3.486 20 0 BGADHN CCCC[C@@H]1CCC[C@H]1N[C@@H](C)c1cnccn1 ZINC000163770646 388367471 /nfs/dbraw/zinc/36/74/71/388367471.db2.gz MNQORNHBIFJFJJ-BFHYXJOUSA-N 0 3 247.386 3.486 20 0 BGADHN Clc1cccc(CCNCc2ccoc2)c1 ZINC000163781944 352185314 /nfs/dbraw/zinc/18/53/14/352185314.db2.gz XPTDBVOQENRHMZ-UHFFFAOYSA-N 0 3 235.714 3.265 20 0 BGADHN CC[C@H](N[C@@H](C)CC(F)(F)F)c1ccncc1 ZINC000163807341 388369008 /nfs/dbraw/zinc/36/90/08/388369008.db2.gz XPBDGNVPQODPPM-ONGXEEELSA-N 0 3 246.276 3.463 20 0 BGADHN CC[C@@H](N[C@@H](C)CC(F)(F)F)c1ccncc1 ZINC000163807444 388369143 /nfs/dbraw/zinc/36/91/43/388369143.db2.gz XPBDGNVPQODPPM-GXSJLCMTSA-N 0 3 246.276 3.463 20 0 BGADHN CC[C@H](N[C@H](C)CC(F)(F)F)c1ccncc1 ZINC000163807565 388368960 /nfs/dbraw/zinc/36/89/60/388368960.db2.gz XPBDGNVPQODPPM-KOLCDFICSA-N 0 3 246.276 3.463 20 0 BGADHN CC[C@@H](N[C@H](C)CC(F)(F)F)c1ccncc1 ZINC000163807660 388369176 /nfs/dbraw/zinc/36/91/76/388369176.db2.gz XPBDGNVPQODPPM-MWLCHTKSSA-N 0 3 246.276 3.463 20 0 BGADHN CCSCCCN[C@@H](C)c1ccc(C)o1 ZINC000163813844 388070338 /nfs/dbraw/zinc/07/03/38/388070338.db2.gz OHAXBHFESSDIED-NSHDSACASA-N 0 3 227.373 3.382 20 0 BGADHN CCSCCCN[C@H](C)c1ccc(C)o1 ZINC000163813965 388070686 /nfs/dbraw/zinc/07/06/86/388070686.db2.gz OHAXBHFESSDIED-LLVKDONJSA-N 0 3 227.373 3.382 20 0 BGADHN CCSCCCNCc1ccccc1F ZINC000163817913 388073121 /nfs/dbraw/zinc/07/31/21/388073121.db2.gz CEPJTWINBUFEDA-UHFFFAOYSA-N 0 3 227.348 3.059 20 0 BGADHN CCOC[C@H](C)N[C@@H](CC)c1ccccc1F ZINC000163834143 535690543 /nfs/dbraw/zinc/69/05/43/535690543.db2.gz UERFPJIYATWWTC-FZMZJTMJSA-N 0 3 239.334 3.291 20 0 BGADHN CCOC[C@H](C)N[C@H](CC)c1ccccc1F ZINC000163834256 535691597 /nfs/dbraw/zinc/69/15/97/535691597.db2.gz UERFPJIYATWWTC-SMDDNHRTSA-N 0 3 239.334 3.291 20 0 BGADHN CCOC[C@@H](C)N[C@@H](CC)c1ccccc1F ZINC000163834344 135209044 /nfs/dbraw/zinc/20/90/44/135209044.db2.gz UERFPJIYATWWTC-RISCZKNCSA-N 0 3 239.334 3.291 20 0 BGADHN CCOC[C@@H](C)N[C@H](CC)c1ccccc1F ZINC000163834441 135209078 /nfs/dbraw/zinc/20/90/78/135209078.db2.gz UERFPJIYATWWTC-BXUZGUMPSA-N 0 3 239.334 3.291 20 0 BGADHN CC[C@H](N[C@@H]1CCCOC1)c1ccccc1F ZINC000163837866 384867811 /nfs/dbraw/zinc/86/78/11/384867811.db2.gz KSEHDAJZWNUMFN-RISCZKNCSA-N 0 3 237.318 3.045 20 0 BGADHN CC[C@@H](N[C@@H]1CCCOC1)c1ccccc1F ZINC000163837987 346579091 /nfs/dbraw/zinc/57/90/91/346579091.db2.gz KSEHDAJZWNUMFN-BXUZGUMPSA-N 0 3 237.318 3.045 20 0 BGADHN CC[C@H](N[C@H]1CCCOC1)c1ccccc1F ZINC000163838129 384867258 /nfs/dbraw/zinc/86/72/58/384867258.db2.gz KSEHDAJZWNUMFN-FZMZJTMJSA-N 0 3 237.318 3.045 20 0 BGADHN CC[C@@H](N[C@H]1CCCOC1)c1ccccc1F ZINC000163838255 346578908 /nfs/dbraw/zinc/57/89/08/346578908.db2.gz KSEHDAJZWNUMFN-SMDDNHRTSA-N 0 3 237.318 3.045 20 0 BGADHN CC[C@H](NC[C@](C)(O)CC)c1ccccc1F ZINC000163838664 384867660 /nfs/dbraw/zinc/86/76/60/384867660.db2.gz NLWLPQXHFNXNMM-UONOGXRCSA-N 0 3 239.334 3.027 20 0 BGADHN CC[C@@H](NC[C@](C)(O)CC)c1ccccc1F ZINC000163838760 346579341 /nfs/dbraw/zinc/57/93/41/346579341.db2.gz NLWLPQXHFNXNMM-ZIAGYGMSSA-N 0 3 239.334 3.027 20 0 BGADHN CC[C@H](NC[C@@](C)(O)CC)c1ccccc1F ZINC000163838880 384868739 /nfs/dbraw/zinc/86/87/39/384868739.db2.gz NLWLPQXHFNXNMM-KBPBESRZSA-N 0 3 239.334 3.027 20 0 BGADHN CC[C@@H](NC[C@@](C)(O)CC)c1ccccc1F ZINC000163838985 188336847 /nfs/dbraw/zinc/33/68/47/188336847.db2.gz NLWLPQXHFNXNMM-KGLIPLIRSA-N 0 3 239.334 3.027 20 0 BGADHN CCSCCCNCc1ccc(F)cc1F ZINC000163840044 384866028 /nfs/dbraw/zinc/86/60/28/384866028.db2.gz PMMHBRURZVGPQV-UHFFFAOYSA-N 0 3 245.338 3.198 20 0 BGADHN CC[C@@H](COC)N[C@@H](CC)c1ccccc1F ZINC000163843597 384868038 /nfs/dbraw/zinc/86/80/38/384868038.db2.gz MGMKNCJUXJVZSB-FZMZJTMJSA-N 0 3 239.334 3.291 20 0 BGADHN CC[C@H](COC)N[C@@H](CC)c1ccccc1F ZINC000163843713 384868588 /nfs/dbraw/zinc/86/85/88/384868588.db2.gz MGMKNCJUXJVZSB-RISCZKNCSA-N 0 3 239.334 3.291 20 0 BGADHN CC[C@@H](N[C@@H](CC)COC)c1ccccc1F ZINC000163843832 384867804 /nfs/dbraw/zinc/86/78/04/384867804.db2.gz MGMKNCJUXJVZSB-SMDDNHRTSA-N 0 3 239.334 3.291 20 0 BGADHN CC[C@H](COC)N[C@H](CC)c1ccccc1F ZINC000163843944 384868116 /nfs/dbraw/zinc/86/81/16/384868116.db2.gz MGMKNCJUXJVZSB-BXUZGUMPSA-N 0 3 239.334 3.291 20 0 BGADHN CCSCCCN[C@@H](C)c1nc(C)cs1 ZINC000163845072 372066794 /nfs/dbraw/zinc/06/67/94/372066794.db2.gz BEWZIESSVJGABH-JTQLQIEISA-N 0 3 244.429 3.245 20 0 BGADHN CCSCCCN[C@H](C)c1nc(C)cs1 ZINC000163845169 372067460 /nfs/dbraw/zinc/06/74/60/372067460.db2.gz BEWZIESSVJGABH-SNVBAGLBSA-N 0 3 244.429 3.245 20 0 BGADHN CCSCCCNCc1cc(F)ccc1F ZINC000163846905 384867907 /nfs/dbraw/zinc/86/79/07/384867907.db2.gz GMFKKMBONZBSRI-UHFFFAOYSA-N 0 3 245.338 3.198 20 0 BGADHN Cc1ccsc1CNCc1cccnc1C ZINC000163851398 351054523 /nfs/dbraw/zinc/05/45/23/351054523.db2.gz WGJQURHVKGRIBW-UHFFFAOYSA-N 0 3 232.352 3.050 20 0 BGADHN Cc1ccc(CNCc2cccnc2C)s1 ZINC000163854426 372068764 /nfs/dbraw/zinc/06/87/64/372068764.db2.gz OAULRYMYLNXHKM-UHFFFAOYSA-N 0 3 232.352 3.050 20 0 BGADHN CC1(NCc2cccnc2Cl)CCCC1 ZINC000163874731 168063907 /nfs/dbraw/zinc/06/39/07/168063907.db2.gz VRQDZTWWTRXOFN-UHFFFAOYSA-N 0 3 224.735 3.157 20 0 BGADHN Cc1ccsc1[C@@H](C)N[C@@H](C)c1cnn(C)c1 ZINC000163880171 386564237 /nfs/dbraw/zinc/56/42/37/386564237.db2.gz HVHXPJTWGKRYLD-WDEREUQCSA-N 0 3 249.383 3.202 20 0 BGADHN Cc1ccsc1[C@H](C)N[C@@H](C)c1cnn(C)c1 ZINC000163880285 386562948 /nfs/dbraw/zinc/56/29/48/386562948.db2.gz HVHXPJTWGKRYLD-QWRGUYRKSA-N 0 3 249.383 3.202 20 0 BGADHN Cc1ccsc1[C@@H](C)N[C@H](C)c1cnn(C)c1 ZINC000163880382 386564120 /nfs/dbraw/zinc/56/41/20/386564120.db2.gz HVHXPJTWGKRYLD-GHMZBOCLSA-N 0 3 249.383 3.202 20 0 BGADHN Cc1ccsc1[C@H](C)N[C@H](C)c1cnn(C)c1 ZINC000163880499 386564177 /nfs/dbraw/zinc/56/41/77/386564177.db2.gz HVHXPJTWGKRYLD-MNOVXSKESA-N 0 3 249.383 3.202 20 0 BGADHN Cc1ccc(CNCCSC(C)(C)C)o1 ZINC000163880561 386564512 /nfs/dbraw/zinc/56/45/12/386564512.db2.gz YUGQVMYKLOZPBW-UHFFFAOYSA-N 0 3 227.373 3.209 20 0 BGADHN CCOc1cc(CN2CC[C@@H](CC)C2)ccc1O ZINC000163881779 384872479 /nfs/dbraw/zinc/87/24/79/384872479.db2.gz WBBRWTFJXBPSMY-GFCCVEGCSA-N 0 3 249.354 3.023 20 0 BGADHN CCOc1cc(CN2CC[C@H](CC)C2)ccc1O ZINC000163881849 384872412 /nfs/dbraw/zinc/87/24/12/384872412.db2.gz WBBRWTFJXBPSMY-LBPRGKRZSA-N 0 3 249.354 3.023 20 0 BGADHN Cc1ccc([C@@H](C)NCCOC(C)C)c(C)c1 ZINC000163901028 388099357 /nfs/dbraw/zinc/09/93/57/388099357.db2.gz DUPCZILEDZCHKN-CQSZACIVSA-N 0 3 235.371 3.379 20 0 BGADHN Cc1ccc([C@H](C)NCCOC(C)C)c(C)c1 ZINC000163901153 388099041 /nfs/dbraw/zinc/09/90/41/388099041.db2.gz DUPCZILEDZCHKN-AWEZNQCLSA-N 0 3 235.371 3.379 20 0 BGADHN Cc1ccc([C@@H](C)NCCOC(C)C)cc1C ZINC000163907534 388098737 /nfs/dbraw/zinc/09/87/37/388098737.db2.gz VZMKFUXKCUXAGG-CQSZACIVSA-N 0 3 235.371 3.379 20 0 BGADHN Cc1ccc([C@H](C)NCCOC(C)C)cc1C ZINC000163907641 388099240 /nfs/dbraw/zinc/09/92/40/388099240.db2.gz VZMKFUXKCUXAGG-AWEZNQCLSA-N 0 3 235.371 3.379 20 0 BGADHN CC(C)OCCN[C@@H](C)c1ccc2c(c1)CCC2 ZINC000163926989 388098960 /nfs/dbraw/zinc/09/89/60/388098960.db2.gz GXUOUJDJJPMNNE-ZDUSSCGKSA-N 0 3 247.382 3.251 20 0 BGADHN CC(C)OCCN[C@H](C)c1ccc2c(c1)CCC2 ZINC000163927102 202791825 /nfs/dbraw/zinc/79/18/25/202791825.db2.gz GXUOUJDJJPMNNE-CYBMUJFWSA-N 0 3 247.382 3.251 20 0 BGADHN COc1cc(Cl)ccc1CNCC(C)(C)C ZINC000163939803 372078748 /nfs/dbraw/zinc/07/87/48/372078748.db2.gz QDKZQQHCXSIDFI-UHFFFAOYSA-N 0 3 241.762 3.484 20 0 BGADHN CCC[C@](C)(O)CNCc1ccc(Cl)s1 ZINC000163987128 388120034 /nfs/dbraw/zinc/12/00/34/388120034.db2.gz CSOLWPYHIWIAIM-NSHDSACASA-N 0 3 247.791 3.042 20 0 BGADHN CCC[C@@](C)(O)CNCc1ccc(Cl)s1 ZINC000163987212 388119811 /nfs/dbraw/zinc/11/98/11/388119811.db2.gz CSOLWPYHIWIAIM-LLVKDONJSA-N 0 3 247.791 3.042 20 0 BGADHN Cc1cc(C)cc([C@@H](C)NCCOC(C)C)c1 ZINC000164028177 388133169 /nfs/dbraw/zinc/13/31/69/388133169.db2.gz APIDYRFUSCVMOE-CQSZACIVSA-N 0 3 235.371 3.379 20 0 BGADHN Cc1cc(C)cc([C@H](C)NCCOC(C)C)c1 ZINC000164028296 388132895 /nfs/dbraw/zinc/13/28/95/388132895.db2.gz APIDYRFUSCVMOE-AWEZNQCLSA-N 0 3 235.371 3.379 20 0 BGADHN CC1(NCc2csc(C3CC3)n2)CCCC1 ZINC000164041411 535188806 /nfs/dbraw/zinc/18/88/06/535188806.db2.gz GTVSFAUXCJXYQP-UHFFFAOYSA-N 0 3 236.384 3.443 20 0 BGADHN CO[C@@H](C)CN[C@@H](C)c1ccccc1Cl ZINC000164064273 388144951 /nfs/dbraw/zinc/14/49/51/388144951.db2.gz UJVDYPVLKHMHAN-UWVGGRQHSA-N 0 3 227.735 3.026 20 0 BGADHN CO[C@H](C)CN[C@@H](C)c1ccccc1Cl ZINC000164064387 388145012 /nfs/dbraw/zinc/14/50/12/388145012.db2.gz UJVDYPVLKHMHAN-ZJUUUORDSA-N 0 3 227.735 3.026 20 0 BGADHN CO[C@@H](C)CN[C@H](C)c1ccccc1Cl ZINC000164064491 388144902 /nfs/dbraw/zinc/14/49/02/388144902.db2.gz UJVDYPVLKHMHAN-VHSXEESVSA-N 0 3 227.735 3.026 20 0 BGADHN CO[C@H](C)CN[C@H](C)c1ccccc1Cl ZINC000164064584 388144964 /nfs/dbraw/zinc/14/49/64/388144964.db2.gz UJVDYPVLKHMHAN-NXEZZACHSA-N 0 3 227.735 3.026 20 0 BGADHN CO[C@@H](C)CN[C@@H](C)c1ccc(Cl)cc1 ZINC000164064702 388144961 /nfs/dbraw/zinc/14/49/61/388144961.db2.gz OLAORUXEQHMMKB-UWVGGRQHSA-N 0 3 227.735 3.026 20 0 BGADHN CO[C@H](C)CN[C@@H](C)c1ccc(Cl)cc1 ZINC000164064826 388145021 /nfs/dbraw/zinc/14/50/21/388145021.db2.gz OLAORUXEQHMMKB-ZJUUUORDSA-N 0 3 227.735 3.026 20 0 BGADHN CO[C@@H](C)CN[C@H](C)c1ccc(Cl)cc1 ZINC000164064952 388145038 /nfs/dbraw/zinc/14/50/38/388145038.db2.gz OLAORUXEQHMMKB-VHSXEESVSA-N 0 3 227.735 3.026 20 0 BGADHN CO[C@H](C)CN[C@H](C)c1ccc(Cl)cc1 ZINC000164065065 388144880 /nfs/dbraw/zinc/14/48/80/388144880.db2.gz OLAORUXEQHMMKB-NXEZZACHSA-N 0 3 227.735 3.026 20 0 BGADHN CO[C@@H](C)CN[C@@H](C)c1cccc(Cl)c1 ZINC000164069971 388145740 /nfs/dbraw/zinc/14/57/40/388145740.db2.gz QZSMWYRACIYUOO-UWVGGRQHSA-N 0 3 227.735 3.026 20 0 BGADHN CO[C@H](C)CN[C@@H](C)c1cccc(Cl)c1 ZINC000164070080 388145515 /nfs/dbraw/zinc/14/55/15/388145515.db2.gz QZSMWYRACIYUOO-ZJUUUORDSA-N 0 3 227.735 3.026 20 0 BGADHN CO[C@@H](C)CN[C@H](C)c1cccc(Cl)c1 ZINC000164070187 388145703 /nfs/dbraw/zinc/14/57/03/388145703.db2.gz QZSMWYRACIYUOO-VHSXEESVSA-N 0 3 227.735 3.026 20 0 BGADHN CO[C@H](C)CN[C@H](C)c1cccc(Cl)c1 ZINC000164070297 388145340 /nfs/dbraw/zinc/14/53/40/388145340.db2.gz QZSMWYRACIYUOO-NXEZZACHSA-N 0 3 227.735 3.026 20 0 BGADHN CC[C@H](N[C@@H](C)CCCO)c1ccccc1F ZINC000164070754 384901947 /nfs/dbraw/zinc/90/19/47/384901947.db2.gz PDRLWWMYTPGNNC-FZMZJTMJSA-N 0 3 239.334 3.027 20 0 BGADHN CC[C@@H](N[C@@H](C)CCCO)c1ccccc1F ZINC000164070859 346589191 /nfs/dbraw/zinc/58/91/91/346589191.db2.gz PDRLWWMYTPGNNC-SMDDNHRTSA-N 0 3 239.334 3.027 20 0 BGADHN CC[C@H](N[C@H](C)CCCO)c1ccccc1F ZINC000164070982 384900733 /nfs/dbraw/zinc/90/07/33/384900733.db2.gz PDRLWWMYTPGNNC-RISCZKNCSA-N 0 3 239.334 3.027 20 0 BGADHN CC[C@@H](N[C@H](C)CCCO)c1ccccc1F ZINC000164071098 346589098 /nfs/dbraw/zinc/58/90/98/346589098.db2.gz PDRLWWMYTPGNNC-BXUZGUMPSA-N 0 3 239.334 3.027 20 0 BGADHN Cc1sc([C@H](C)N)nc1-c1cccc(F)c1 ZINC000164097494 135213667 /nfs/dbraw/zinc/21/36/67/135213667.db2.gz MVPNXZBWVHXVFZ-ZETCQYMHSA-N 0 3 236.315 3.277 20 0 BGADHN CCC[C@@H](C)NCc1cc(C)ccc1F ZINC000164102328 372098923 /nfs/dbraw/zinc/09/89/23/372098923.db2.gz GGLOUZAKNWMCSC-LLVKDONJSA-N 0 3 209.308 3.412 20 0 BGADHN CCC[C@H](C)NCc1cc(C)ccc1F ZINC000164102441 372099432 /nfs/dbraw/zinc/09/94/32/372099432.db2.gz GGLOUZAKNWMCSC-NSHDSACASA-N 0 3 209.308 3.412 20 0 BGADHN Cc1ccc(F)c(CNCCC(C)C)c1 ZINC000164103558 202874331 /nfs/dbraw/zinc/87/43/31/202874331.db2.gz HDBVVEZFESWORU-UHFFFAOYSA-N 0 3 209.308 3.270 20 0 BGADHN CCCCCNCc1cc(C)ccc1F ZINC000164104350 388153401 /nfs/dbraw/zinc/15/34/01/388153401.db2.gz XGJZJKBIBPHMSR-UHFFFAOYSA-N 0 3 209.308 3.414 20 0 BGADHN Cc1ccc(F)c(CN[C@@H](C)C2CC2)c1 ZINC000164105975 188215464 /nfs/dbraw/zinc/21/54/64/188215464.db2.gz ZJIITRJPWPUOTK-JTQLQIEISA-N 0 3 207.292 3.022 20 0 BGADHN Cc1ccc(F)c(CN[C@H](C)C2CC2)c1 ZINC000164106055 388153483 /nfs/dbraw/zinc/15/34/83/388153483.db2.gz ZJIITRJPWPUOTK-SNVBAGLBSA-N 0 3 207.292 3.022 20 0 BGADHN Cc1ccc(F)c(CNCCCC2CC2)c1 ZINC000164176335 323070974 /nfs/dbraw/zinc/07/09/74/323070974.db2.gz YZUPOWSSALPDIW-UHFFFAOYSA-N 0 3 221.319 3.414 20 0 BGADHN CCCC[C@@H](COC)NCc1ccc(Cl)o1 ZINC000164178437 135214404 /nfs/dbraw/zinc/21/44/04/135214404.db2.gz VEWZKRVOCDTFKN-JTQLQIEISA-N 0 3 245.750 3.228 20 0 BGADHN CCCC[C@H](COC)NCc1ccc(Cl)o1 ZINC000164178549 135214066 /nfs/dbraw/zinc/21/40/66/135214066.db2.gz VEWZKRVOCDTFKN-SNVBAGLBSA-N 0 3 245.750 3.228 20 0 BGADHN Cc1ccc(F)c(CN[C@H]2CC=CCC2)c1 ZINC000164182776 135214696 /nfs/dbraw/zinc/21/46/96/135214696.db2.gz RMKYDWXSZDZYCS-ZDUSSCGKSA-N 0 3 219.303 3.332 20 0 BGADHN Cc1ccc(F)c(CN[C@@H]2CC=CCC2)c1 ZINC000164182896 384935235 /nfs/dbraw/zinc/93/52/35/384935235.db2.gz RMKYDWXSZDZYCS-CYBMUJFWSA-N 0 3 219.303 3.332 20 0 BGADHN CCCC(O)(CCC)CNCc1ccsc1 ZINC000164217478 384943199 /nfs/dbraw/zinc/94/31/99/384943199.db2.gz KFQZIRIXFKWRKR-UHFFFAOYSA-N 0 3 241.400 3.169 20 0 BGADHN CCN1CCC(c2noc3cc(F)ccc32)CC1 ZINC000164247343 346596876 /nfs/dbraw/zinc/59/68/76/346596876.db2.gz GCAHOSFXRKWZAV-UHFFFAOYSA-N 0 3 248.301 3.166 20 0 BGADHN Cc1ccc(OCCCN2CC=CCC2)cc1C ZINC000164299807 538932360 /nfs/dbraw/zinc/93/23/60/538932360.db2.gz LYHPQPMGEQUZLM-UHFFFAOYSA-N 0 3 245.366 3.334 20 0 BGADHN CC(C)CC[C@](C)(O)CNCc1ccsc1 ZINC000164341033 534963762 /nfs/dbraw/zinc/96/37/62/534963762.db2.gz ZMUCQUBPUZZMJL-ZDUSSCGKSA-N 0 3 241.400 3.025 20 0 BGADHN CC(C)CC[C@@](C)(O)CNCc1ccsc1 ZINC000164341153 534936875 /nfs/dbraw/zinc/93/68/75/534936875.db2.gz ZMUCQUBPUZZMJL-CYBMUJFWSA-N 0 3 241.400 3.025 20 0 BGADHN CC(C)(C)CNCc1nc2c(s1)CCCC2 ZINC000164371240 640471172 /nfs/dbraw/zinc/47/11/72/640471172.db2.gz KWOYIGJJHNQUAN-UHFFFAOYSA-N 0 3 238.400 3.158 20 0 BGADHN CCc1cc(CNC2CCCCCC2)on1 ZINC000164377469 343207582 /nfs/dbraw/zinc/20/75/82/343207582.db2.gz VRJCAUTXAYXJGL-UHFFFAOYSA-N 0 3 222.332 3.049 20 0 BGADHN CSCCNCc1cc2cc(F)ccc2o1 ZINC000164410833 372148340 /nfs/dbraw/zinc/14/83/40/372148340.db2.gz UVEBSDZXZPPNQZ-UHFFFAOYSA-N 0 3 239.315 3.025 20 0 BGADHN C[C@H](NC[C@@H]1CCCCS1)c1cncs1 ZINC000164454075 361757524 /nfs/dbraw/zinc/75/75/24/361757524.db2.gz PSBPHPBOOUFWGA-UWVGGRQHSA-N 0 3 242.413 3.079 20 0 BGADHN C[C@@H](NC[C@@H]1CCCCS1)c1cncs1 ZINC000164454171 361757619 /nfs/dbraw/zinc/75/76/19/361757619.db2.gz PSBPHPBOOUFWGA-ZJUUUORDSA-N 0 3 242.413 3.079 20 0 BGADHN C[C@H](NC[C@H]1CCCCS1)c1cncs1 ZINC000164454298 361757296 /nfs/dbraw/zinc/75/72/96/361757296.db2.gz PSBPHPBOOUFWGA-VHSXEESVSA-N 0 3 242.413 3.079 20 0 BGADHN C[C@@H](NC[C@H]1CCCCS1)c1cncs1 ZINC000164454370 361757658 /nfs/dbraw/zinc/75/76/58/361757658.db2.gz PSBPHPBOOUFWGA-NXEZZACHSA-N 0 3 242.413 3.079 20 0 BGADHN C[C@H](O)C[C@H](C)N[C@@H](C)c1ccc(Cl)s1 ZINC000164494560 388239245 /nfs/dbraw/zinc/23/92/45/388239245.db2.gz CIMVQYICSATNCY-CIUDSAMLSA-N 0 3 247.791 3.212 20 0 BGADHN C[C@H](C[C@H](C)O)N[C@@H](C)c1ccc(Cl)s1 ZINC000164494688 135380198 /nfs/dbraw/zinc/38/01/98/135380198.db2.gz CIMVQYICSATNCY-VGMNWLOBSA-N 0 3 247.791 3.212 20 0 BGADHN Cc1ccoc1CNCCSC(C)(C)C ZINC000164500384 388239306 /nfs/dbraw/zinc/23/93/06/388239306.db2.gz LJLUGYVMHPEQHR-UHFFFAOYSA-N 0 3 227.373 3.209 20 0 BGADHN CCSCCN[C@@H](C)c1cc(C)oc1C ZINC000164568623 203185329 /nfs/dbraw/zinc/18/53/29/203185329.db2.gz ZQJLLULIJAITHT-JTQLQIEISA-N 0 3 227.373 3.300 20 0 BGADHN CCSCCN[C@H](C)c1cc(C)oc1C ZINC000164568727 203185196 /nfs/dbraw/zinc/18/51/96/203185196.db2.gz ZQJLLULIJAITHT-SNVBAGLBSA-N 0 3 227.373 3.300 20 0 BGADHN CS[C@H]1CCC[C@@H](NCc2occc2C)C1 ZINC000164592081 385020676 /nfs/dbraw/zinc/02/06/76/385020676.db2.gz BHDGZHCBGWKEES-NEPJUHHUSA-N 0 3 239.384 3.352 20 0 BGADHN CS[C@H]1CCC[C@H](NCc2occc2C)C1 ZINC000164592204 385020091 /nfs/dbraw/zinc/02/00/91/385020091.db2.gz BHDGZHCBGWKEES-RYUDHWBXSA-N 0 3 239.384 3.352 20 0 BGADHN CS[C@@H]1CCC[C@@H](NCc2occc2C)C1 ZINC000164592328 385019274 /nfs/dbraw/zinc/01/92/74/385019274.db2.gz BHDGZHCBGWKEES-VXGBXAGGSA-N 0 3 239.384 3.352 20 0 BGADHN CS[C@@H]1CCC[C@H](NCc2occc2C)C1 ZINC000164592461 385020151 /nfs/dbraw/zinc/02/01/51/385020151.db2.gz BHDGZHCBGWKEES-NWDGAFQWSA-N 0 3 239.384 3.352 20 0 BGADHN C[C@H](O)C[C@H](C)N[C@@H](C)c1ccccc1Cl ZINC000164598856 386083714 /nfs/dbraw/zinc/08/37/14/386083714.db2.gz LEAJMSDOLFSXSX-DCAQKATOSA-N 0 3 241.762 3.150 20 0 BGADHN C[C@H](C[C@H](C)O)N[C@@H](C)c1ccccc1Cl ZINC000164598947 386084076 /nfs/dbraw/zinc/08/40/76/386084076.db2.gz LEAJMSDOLFSXSX-VWYCJHECSA-N 0 3 241.762 3.150 20 0 BGADHN COCC(C)(C)NCc1c(C)oc2ccccc21 ZINC000164599107 203202772 /nfs/dbraw/zinc/20/27/72/203202772.db2.gz YBMZXMLEXVVXHR-UHFFFAOYSA-N 0 3 247.338 3.256 20 0 BGADHN CC[C@H](NCc1ccsc1)c1ccncc1 ZINC000164689055 388245526 /nfs/dbraw/zinc/24/55/26/388245526.db2.gz VGRAFPFEFKYATO-ZDUSSCGKSA-N 0 3 232.352 3.384 20 0 BGADHN CC[C@@H](NCc1ccsc1)c1ccncc1 ZINC000164689152 388245659 /nfs/dbraw/zinc/24/56/59/388245659.db2.gz VGRAFPFEFKYATO-CYBMUJFWSA-N 0 3 232.352 3.384 20 0 BGADHN CC[C@H](NCc1cccs1)c1ccncc1 ZINC000164689946 388246152 /nfs/dbraw/zinc/24/61/52/388246152.db2.gz CQDDRRXLCSKELS-ZDUSSCGKSA-N 0 3 232.352 3.384 20 0 BGADHN CC[C@@H](NCc1cccs1)c1ccncc1 ZINC000164690059 388245840 /nfs/dbraw/zinc/24/58/40/388245840.db2.gz CQDDRRXLCSKELS-CYBMUJFWSA-N 0 3 232.352 3.384 20 0 BGADHN CC[C@@H](C)[C@@H](C)NCc1nccn1CC(C)C ZINC000164758379 326416427 /nfs/dbraw/zinc/41/64/27/326416427.db2.gz VBQNQFPFPXMLIC-CHWSQXEVSA-N 0 3 237.391 3.063 20 0 BGADHN CC[C@H](C)[C@@H](C)NCc1nccn1CC(C)C ZINC000164758484 326416484 /nfs/dbraw/zinc/41/64/84/326416484.db2.gz VBQNQFPFPXMLIC-QWHCGFSZSA-N 0 3 237.391 3.063 20 0 BGADHN CC[C@@H](C)[C@H](C)NCc1nccn1CC(C)C ZINC000164758594 326416557 /nfs/dbraw/zinc/41/65/57/326416557.db2.gz VBQNQFPFPXMLIC-OLZOCXBDSA-N 0 3 237.391 3.063 20 0 BGADHN CC[C@H](C)[C@H](C)NCc1nccn1CC(C)C ZINC000164758723 326416548 /nfs/dbraw/zinc/41/65/48/326416548.db2.gz VBQNQFPFPXMLIC-STQMWFEESA-N 0 3 237.391 3.063 20 0 BGADHN Cc1oc2ccccc2c1CN[C@]1(C)CCOC1 ZINC000164776318 385037508 /nfs/dbraw/zinc/03/75/08/385037508.db2.gz ZUWQBJUOPBXNBM-OAHLLOKOSA-N 0 3 245.322 3.010 20 0 BGADHN Cc1oc2ccccc2c1CN[C@@]1(C)CCOC1 ZINC000164776428 385038801 /nfs/dbraw/zinc/03/88/01/385038801.db2.gz ZUWQBJUOPBXNBM-HNNXBMFYSA-N 0 3 245.322 3.010 20 0 BGADHN c1coc(CN[C@@H]2C[C@@H]2C2CCCCC2)c1 ZINC000164778972 203380368 /nfs/dbraw/zinc/38/03/68/203380368.db2.gz TZDQNFNYHCCALC-ZIAGYGMSSA-N 0 3 219.328 3.338 20 0 BGADHN c1coc(CN[C@H]2C[C@@H]2C2CCCCC2)c1 ZINC000164779076 203381332 /nfs/dbraw/zinc/38/13/32/203381332.db2.gz TZDQNFNYHCCALC-KGLIPLIRSA-N 0 3 219.328 3.338 20 0 BGADHN c1coc(CN[C@@H]2C[C@H]2C2CCCCC2)c1 ZINC000164779186 203380010 /nfs/dbraw/zinc/38/00/10/203380010.db2.gz TZDQNFNYHCCALC-UONOGXRCSA-N 0 3 219.328 3.338 20 0 BGADHN c1coc(CN[C@H]2C[C@H]2C2CCCCC2)c1 ZINC000164779295 203380522 /nfs/dbraw/zinc/38/05/22/203380522.db2.gz TZDQNFNYHCCALC-KBPBESRZSA-N 0 3 219.328 3.338 20 0 BGADHN C[C@H](CNCc1ccco1)Cc1cccs1 ZINC000164784589 385042318 /nfs/dbraw/zinc/04/23/18/385042318.db2.gz HQZLDEFUIILBMJ-NSHDSACASA-N 0 3 235.352 3.310 20 0 BGADHN C[C@@H](CNCc1ccco1)Cc1cccs1 ZINC000164784688 385041965 /nfs/dbraw/zinc/04/19/65/385041965.db2.gz HQZLDEFUIILBMJ-LLVKDONJSA-N 0 3 235.352 3.310 20 0 BGADHN CCSCCNCc1ccccc1Cl ZINC000164787453 388248359 /nfs/dbraw/zinc/24/83/59/388248359.db2.gz FJCUTJLSOIKELZ-UHFFFAOYSA-N 0 3 229.776 3.183 20 0 BGADHN CCSCCNCc1cccc(Cl)c1 ZINC000164787565 388248416 /nfs/dbraw/zinc/24/84/16/388248416.db2.gz VHMIRFQTYODXET-UHFFFAOYSA-N 0 3 229.776 3.183 20 0 BGADHN CCSCCNCc1ccc(Cl)cc1 ZINC000164789000 388248195 /nfs/dbraw/zinc/24/81/95/388248195.db2.gz LQOCDCHXRRDWOV-UHFFFAOYSA-N 0 3 229.776 3.183 20 0 BGADHN CCSCCNCc1ccc(F)c(Cl)c1 ZINC000164800610 388248326 /nfs/dbraw/zinc/24/83/26/388248326.db2.gz NVAGZKHDZUZORI-UHFFFAOYSA-N 0 3 247.766 3.322 20 0 BGADHN COC(C)(C)C[C@H](C)NCc1ccc(Cl)o1 ZINC000164820262 386328666 /nfs/dbraw/zinc/32/86/66/386328666.db2.gz OQDUDSSJCGDIGX-VIFPVBQESA-N 0 3 245.750 3.226 20 0 BGADHN COC(C)(C)C[C@@H](C)NCc1ccc(Cl)o1 ZINC000164820389 386330187 /nfs/dbraw/zinc/33/01/87/386330187.db2.gz OQDUDSSJCGDIGX-SECBINFHSA-N 0 3 245.750 3.226 20 0 BGADHN CC[C@H](NCc1nccn1CC(C)C)C(C)C ZINC000164822146 387346030 /nfs/dbraw/zinc/34/60/30/387346030.db2.gz FSZFUXKRZLLGPX-ZDUSSCGKSA-N 0 3 237.391 3.063 20 0 BGADHN CC[C@@H](NCc1nccn1CC(C)C)C(C)C ZINC000164822257 326417444 /nfs/dbraw/zinc/41/74/44/326417444.db2.gz FSZFUXKRZLLGPX-CYBMUJFWSA-N 0 3 237.391 3.063 20 0 BGADHN CC(C)Cn1ccnc1CN[C@@H](C)C(C)(C)C ZINC000164836307 386341574 /nfs/dbraw/zinc/34/15/74/386341574.db2.gz YUGBUYKTDHIKGG-LBPRGKRZSA-N 0 3 237.391 3.063 20 0 BGADHN CC(C)Cn1ccnc1CN[C@H](C)C(C)(C)C ZINC000164836404 386342891 /nfs/dbraw/zinc/34/28/91/386342891.db2.gz YUGBUYKTDHIKGG-GFCCVEGCSA-N 0 3 237.391 3.063 20 0 BGADHN Cc1cnc(CN[C@@H]2CCC[C@H](C)C2)s1 ZINC000164836491 388248339 /nfs/dbraw/zinc/24/83/39/388248339.db2.gz MXDXJIDBYVDUNU-GXSJLCMTSA-N 0 3 224.373 3.120 20 0 BGADHN Cc1cnc(CN[C@H]2CCC[C@H](C)C2)s1 ZINC000164836603 388248571 /nfs/dbraw/zinc/24/85/71/388248571.db2.gz MXDXJIDBYVDUNU-ONGXEEELSA-N 0 3 224.373 3.120 20 0 BGADHN Cc1cnc(CN[C@@H]2CCC[C@@H](C)C2)s1 ZINC000164836715 388248282 /nfs/dbraw/zinc/24/82/82/388248282.db2.gz MXDXJIDBYVDUNU-MWLCHTKSSA-N 0 3 224.373 3.120 20 0 BGADHN Cc1cnc(CN[C@H]2CCC[C@@H](C)C2)s1 ZINC000164836825 388248336 /nfs/dbraw/zinc/24/83/36/388248336.db2.gz MXDXJIDBYVDUNU-KOLCDFICSA-N 0 3 224.373 3.120 20 0 BGADHN Cc1cnc(CNC2CCC(C)CC2)s1 ZINC000164839928 135444417 /nfs/dbraw/zinc/44/44/17/135444417.db2.gz QAPDRLVOHVENOI-UHFFFAOYSA-N 0 3 224.373 3.120 20 0 BGADHN Cc1cnc(CNC2CCCCCC2)s1 ZINC000164840035 388249165 /nfs/dbraw/zinc/24/91/65/388249165.db2.gz ZBTUUBZRNVBXLR-UHFFFAOYSA-N 0 3 224.373 3.264 20 0 BGADHN CC(C)Cn1ccnc1CN[C@@H](C)C1CCCC1 ZINC000164846148 386344976 /nfs/dbraw/zinc/34/49/76/386344976.db2.gz PROTZEUGVPUTEO-ZDUSSCGKSA-N 0 3 249.402 3.207 20 0 BGADHN CC(C)Cn1ccnc1CN[C@H](C)C1CCCC1 ZINC000164846274 386345565 /nfs/dbraw/zinc/34/55/65/386345565.db2.gz PROTZEUGVPUTEO-CYBMUJFWSA-N 0 3 249.402 3.207 20 0 BGADHN CC(C)Cn1ccnc1CN[C@H](C(C)C)C1CC1 ZINC000164850461 388386635 /nfs/dbraw/zinc/38/66/35/388386635.db2.gz BPNSPQJNCLUFAU-OAHLLOKOSA-N 0 3 249.402 3.063 20 0 BGADHN CC(C)Cn1ccnc1CN[C@@H](C(C)C)C1CC1 ZINC000164850564 388386431 /nfs/dbraw/zinc/38/64/31/388386431.db2.gz BPNSPQJNCLUFAU-HNNXBMFYSA-N 0 3 249.402 3.063 20 0 BGADHN C[C@H](NCc1ccncc1Cl)C1CCC1 ZINC000164880504 538934316 /nfs/dbraw/zinc/93/43/16/538934316.db2.gz VAFZZBZCAWSECN-VIFPVBQESA-N 0 3 224.735 3.013 20 0 BGADHN C[C@@H](NCc1ccncc1Cl)C1CCC1 ZINC000164880629 538934364 /nfs/dbraw/zinc/93/43/64/538934364.db2.gz VAFZZBZCAWSECN-SECBINFHSA-N 0 3 224.735 3.013 20 0 BGADHN Cc1ccc(F)c(CNCCC2CC2)c1 ZINC000164898908 384324665 /nfs/dbraw/zinc/32/46/65/384324665.db2.gz XHODHIFGCBMOFC-UHFFFAOYSA-N 0 3 207.292 3.024 20 0 BGADHN CCc1cnc(CN[C@@H]2CCC[C@H](C)C2)s1 ZINC000164904268 386418714 /nfs/dbraw/zinc/41/87/14/386418714.db2.gz MSDQDYPNHUJEJO-WDEREUQCSA-N 0 3 238.400 3.374 20 0 BGADHN CCc1cnc(CN[C@H]2CCC[C@H](C)C2)s1 ZINC000164904384 386418875 /nfs/dbraw/zinc/41/88/75/386418875.db2.gz MSDQDYPNHUJEJO-QWRGUYRKSA-N 0 3 238.400 3.374 20 0 BGADHN CCc1cnc(CN[C@@H]2CCC[C@@H](C)C2)s1 ZINC000164904501 386419172 /nfs/dbraw/zinc/41/91/72/386419172.db2.gz MSDQDYPNHUJEJO-GHMZBOCLSA-N 0 3 238.400 3.374 20 0 BGADHN CCc1cnc(CN[C@H]2CCC[C@@H](C)C2)s1 ZINC000164904605 386420168 /nfs/dbraw/zinc/42/01/68/386420168.db2.gz MSDQDYPNHUJEJO-MNOVXSKESA-N 0 3 238.400 3.374 20 0 BGADHN CCc1cnc(CNC2CCCCC2)s1 ZINC000164904755 361833726 /nfs/dbraw/zinc/83/37/26/361833726.db2.gz UQWHCMCTZDGCFP-UHFFFAOYSA-N 0 3 224.373 3.128 20 0 BGADHN CCc1cnc(CNC2CCC(C)CC2)s1 ZINC000164907300 386427464 /nfs/dbraw/zinc/42/74/64/386427464.db2.gz HEDBSKVVEXIJEI-UHFFFAOYSA-N 0 3 238.400 3.374 20 0 BGADHN CCC(CC)(CNCc1ccco1)SC ZINC000164916807 168325991 /nfs/dbraw/zinc/32/59/91/168325991.db2.gz GFZCNENJMKXAGF-UHFFFAOYSA-N 0 3 227.373 3.291 20 0 BGADHN CCC(CC)(CNCc1ccccn1)SC ZINC000164922541 168325174 /nfs/dbraw/zinc/32/51/74/168325174.db2.gz NMLPCTVHVWBZEG-UHFFFAOYSA-N 0 3 238.400 3.093 20 0 BGADHN CC[C@H](N[C@@H]1CCO[C@@H]1C)c1ccccc1F ZINC000164948268 385055637 /nfs/dbraw/zinc/05/56/37/385055637.db2.gz PGQBRGZEGRKVML-DDTOSNHZSA-N 0 3 237.318 3.044 20 0 BGADHN CC[C@@H](N[C@@H]1CCO[C@@H]1C)c1ccccc1F ZINC000164948387 361834895 /nfs/dbraw/zinc/83/48/95/361834895.db2.gz PGQBRGZEGRKVML-LERXQTSPSA-N 0 3 237.318 3.044 20 0 BGADHN CC[C@H](N[C@H]1CCO[C@@H]1C)c1ccccc1F ZINC000164948505 385055261 /nfs/dbraw/zinc/05/52/61/385055261.db2.gz PGQBRGZEGRKVML-SWHYSGLUSA-N 0 3 237.318 3.044 20 0 BGADHN CC[C@@H](N[C@H]1CCO[C@@H]1C)c1ccccc1F ZINC000164948608 487910343 /nfs/dbraw/zinc/91/03/43/487910343.db2.gz PGQBRGZEGRKVML-HONMWMINSA-N 0 3 237.318 3.044 20 0 BGADHN Cc1noc(C)c1CCN(C)[C@@H](C)c1ccco1 ZINC000165065670 387344465 /nfs/dbraw/zinc/34/44/65/387344465.db2.gz OIMOZNFTNDDACV-NSHDSACASA-N 0 3 248.326 3.120 20 0 BGADHN Cc1noc(C)c1CCN(C)[C@H](C)c1ccco1 ZINC000165065804 534338842 /nfs/dbraw/zinc/33/88/42/534338842.db2.gz OIMOZNFTNDDACV-LLVKDONJSA-N 0 3 248.326 3.120 20 0 BGADHN CCOCCCCN[C@@H](C)c1ccccc1F ZINC000165070441 170369040 /nfs/dbraw/zinc/36/90/40/170369040.db2.gz JFPAPINEUOPMAH-LBPRGKRZSA-N 0 3 239.334 3.293 20 0 BGADHN CCOCCCCN[C@H](C)c1ccccc1F ZINC000165070582 170369141 /nfs/dbraw/zinc/36/91/41/170369141.db2.gz JFPAPINEUOPMAH-GFCCVEGCSA-N 0 3 239.334 3.293 20 0 BGADHN CO[C@H](CNCc1ccc(Cl)o1)C(C)(C)C ZINC000165073487 386518406 /nfs/dbraw/zinc/51/84/06/386518406.db2.gz IGWGHKIKJFNOKQ-SNVBAGLBSA-N 0 3 245.750 3.084 20 0 BGADHN CO[C@@H](CNCc1ccc(Cl)o1)C(C)(C)C ZINC000165073587 386518581 /nfs/dbraw/zinc/51/85/81/386518581.db2.gz IGWGHKIKJFNOKQ-JTQLQIEISA-N 0 3 245.750 3.084 20 0 BGADHN Cc1ccc(F)c(CNC2CC(C)C2)c1 ZINC000165128503 388251524 /nfs/dbraw/zinc/25/15/24/388251524.db2.gz ZFIRTAPVXZVRJB-UHFFFAOYSA-N 0 3 207.292 3.022 20 0 BGADHN C[C@@H](CC1CC1)Nc1cccc(CN(C)C)c1 ZINC000165137665 386754244 /nfs/dbraw/zinc/75/42/44/386754244.db2.gz QDIRYSVHLRWHPH-LBPRGKRZSA-N 0 3 232.371 3.349 20 0 BGADHN C[C@H](CC1CC1)Nc1cccc(CN(C)C)c1 ZINC000165137775 386754781 /nfs/dbraw/zinc/75/47/81/386754781.db2.gz QDIRYSVHLRWHPH-GFCCVEGCSA-N 0 3 232.371 3.349 20 0 BGADHN CCOCCCCN[C@@H](C)c1ccc(C)o1 ZINC000165152857 170369539 /nfs/dbraw/zinc/36/95/39/170369539.db2.gz OTMBTWOFWZICSI-LBPRGKRZSA-N 0 3 225.332 3.055 20 0 BGADHN CCOCCCCN[C@H](C)c1ccc(C)o1 ZINC000165152986 170369317 /nfs/dbraw/zinc/36/93/17/170369317.db2.gz OTMBTWOFWZICSI-GFCCVEGCSA-N 0 3 225.332 3.055 20 0 BGADHN CCOCCCCN[C@H](C)c1ccc(CC)o1 ZINC000165163603 170369955 /nfs/dbraw/zinc/36/99/55/170369955.db2.gz MBCKHIWLXPPRGE-GFCCVEGCSA-N 0 3 239.359 3.309 20 0 BGADHN CCOCCCCN[C@@H](C)c1ccc(CC)o1 ZINC000165163715 170369784 /nfs/dbraw/zinc/36/97/84/170369784.db2.gz MBCKHIWLXPPRGE-LBPRGKRZSA-N 0 3 239.359 3.309 20 0 BGADHN CCC1(NCc2cccnc2Cl)CCC1 ZINC000165170202 388250999 /nfs/dbraw/zinc/25/09/99/388250999.db2.gz IYUQWHUGHWCDKG-UHFFFAOYSA-N 0 3 224.735 3.157 20 0 BGADHN CCC1(NCc2csc(C3CC3)n2)CCC1 ZINC000165170499 386863752 /nfs/dbraw/zinc/86/37/52/386863752.db2.gz VJTXJIIOMBMWMR-UHFFFAOYSA-N 0 3 236.384 3.443 20 0 BGADHN CC(C)(NCc1cc[nH]c1)c1ccccc1 ZINC000165219475 385087849 /nfs/dbraw/zinc/08/78/49/385087849.db2.gz ZYNCMHZFZCPGOD-UHFFFAOYSA-N 0 3 214.312 3.040 20 0 BGADHN CCc1ccc([C@@H](COC)N[C@@H](C)C(C)C)o1 ZINC000165231627 385087337 /nfs/dbraw/zinc/08/73/37/385087337.db2.gz JFQILRZZZBQOMO-WCQYABFASA-N 0 3 239.359 3.164 20 0 BGADHN CCc1ccc([C@H](COC)N[C@@H](C)C(C)C)o1 ZINC000165231747 385087767 /nfs/dbraw/zinc/08/77/67/385087767.db2.gz JFQILRZZZBQOMO-AAEUAGOBSA-N 0 3 239.359 3.164 20 0 BGADHN CCc1ccc([C@@H](COC)N[C@H](C)C(C)C)o1 ZINC000165231862 385088537 /nfs/dbraw/zinc/08/85/37/385088537.db2.gz JFQILRZZZBQOMO-DGCLKSJQSA-N 0 3 239.359 3.164 20 0 BGADHN CCc1ccc([C@H](COC)N[C@H](C)C(C)C)o1 ZINC000165231976 171842847 /nfs/dbraw/zinc/84/28/47/171842847.db2.gz JFQILRZZZBQOMO-YPMHNXCESA-N 0 3 239.359 3.164 20 0 BGADHN CCS[C@@H]1CCC[C@H](NCc2ccco2)C1 ZINC000165237118 385087545 /nfs/dbraw/zinc/08/75/45/385087545.db2.gz UINZXLSKYXQIHD-WCQYABFASA-N 0 3 239.384 3.434 20 0 BGADHN CCS[C@H]1CCC[C@H](NCc2ccco2)C1 ZINC000165237215 385089266 /nfs/dbraw/zinc/08/92/66/385089266.db2.gz UINZXLSKYXQIHD-AAEUAGOBSA-N 0 3 239.384 3.434 20 0 BGADHN CCS[C@@H]1CCC[C@@H](NCc2ccco2)C1 ZINC000165237307 385090008 /nfs/dbraw/zinc/09/00/08/385090008.db2.gz UINZXLSKYXQIHD-DGCLKSJQSA-N 0 3 239.384 3.434 20 0 BGADHN CCS[C@H]1CCC[C@@H](NCc2ccco2)C1 ZINC000165237388 385089895 /nfs/dbraw/zinc/08/98/95/385089895.db2.gz UINZXLSKYXQIHD-YPMHNXCESA-N 0 3 239.384 3.434 20 0 BGADHN Cc1ccc(F)c(CN[C@@H]2CCCSC2)c1 ZINC000165243615 385092713 /nfs/dbraw/zinc/09/27/13/385092713.db2.gz FCICTDHYTGJGEH-GFCCVEGCSA-N 0 3 239.359 3.119 20 0 BGADHN Cc1ccc(F)c(CN[C@H]2CCCSC2)c1 ZINC000165243737 385093182 /nfs/dbraw/zinc/09/31/82/385093182.db2.gz FCICTDHYTGJGEH-LBPRGKRZSA-N 0 3 239.359 3.119 20 0 BGADHN CCC[C@@H](C)N[C@@H](COC)c1ccc(CC)o1 ZINC000165251550 326420249 /nfs/dbraw/zinc/42/02/49/326420249.db2.gz JYRKDDQXGBPRSV-YPMHNXCESA-N 0 3 239.359 3.308 20 0 BGADHN CCC[C@H](C)N[C@@H](COC)c1ccc(CC)o1 ZINC000165251667 388395541 /nfs/dbraw/zinc/39/55/41/388395541.db2.gz JYRKDDQXGBPRSV-AAEUAGOBSA-N 0 3 239.359 3.308 20 0 BGADHN CCC[C@@H](C)N[C@H](COC)c1ccc(CC)o1 ZINC000165251777 388394806 /nfs/dbraw/zinc/39/48/06/388394806.db2.gz JYRKDDQXGBPRSV-DGCLKSJQSA-N 0 3 239.359 3.308 20 0 BGADHN CCC[C@H](C)N[C@H](COC)c1ccc(CC)o1 ZINC000165251883 388395890 /nfs/dbraw/zinc/39/58/90/388395890.db2.gz JYRKDDQXGBPRSV-WCQYABFASA-N 0 3 239.359 3.308 20 0 BGADHN CCc1ccc([C@@H](COC)NC2CCCC2)o1 ZINC000165266786 388395426 /nfs/dbraw/zinc/39/54/26/388395426.db2.gz CSCRYYDNFUBTCZ-CYBMUJFWSA-N 0 3 237.343 3.062 20 0 BGADHN CCc1ccc([C@H](COC)NC2CCCC2)o1 ZINC000165266905 388395534 /nfs/dbraw/zinc/39/55/34/388395534.db2.gz CSCRYYDNFUBTCZ-ZDUSSCGKSA-N 0 3 237.343 3.062 20 0 BGADHN Cc1noc(C)c1[C@@H](C)NCCCC(C)C ZINC000165271812 538935191 /nfs/dbraw/zinc/93/51/91/538935191.db2.gz QIKVJVRZXHXZJP-SNVBAGLBSA-N 0 3 224.348 3.378 20 0 BGADHN Cc1noc(C)c1[C@H](C)NCCCC(C)C ZINC000165271922 538935093 /nfs/dbraw/zinc/93/50/93/538935093.db2.gz QIKVJVRZXHXZJP-JTQLQIEISA-N 0 3 224.348 3.378 20 0 BGADHN CCc1ccc([C@@H](COC)NC(CC)CC)o1 ZINC000165297650 353284296 /nfs/dbraw/zinc/28/42/96/353284296.db2.gz SNZOMWMHQDRSKI-CYBMUJFWSA-N 0 3 239.359 3.308 20 0 BGADHN CCc1ccc([C@H](COC)NC(CC)CC)o1 ZINC000165297773 353284225 /nfs/dbraw/zinc/28/42/25/353284225.db2.gz SNZOMWMHQDRSKI-ZDUSSCGKSA-N 0 3 239.359 3.308 20 0 BGADHN CC[C@H](N[C@@H](C)C1CC1)c1nc(C)cs1 ZINC000165300083 388252095 /nfs/dbraw/zinc/25/20/95/388252095.db2.gz YQCANLGDEOAABJ-ONGXEEELSA-N 0 3 224.373 3.291 20 0 BGADHN CC[C@@H](N[C@@H](C)C1CC1)c1nc(C)cs1 ZINC000165300202 361837631 /nfs/dbraw/zinc/83/76/31/361837631.db2.gz YQCANLGDEOAABJ-GXSJLCMTSA-N 0 3 224.373 3.291 20 0 BGADHN CC[C@H](N[C@H](C)C1CC1)c1nc(C)cs1 ZINC000165300329 388251680 /nfs/dbraw/zinc/25/16/80/388251680.db2.gz YQCANLGDEOAABJ-KOLCDFICSA-N 0 3 224.373 3.291 20 0 BGADHN CC[C@@H](N[C@H](C)C1CC1)c1nc(C)cs1 ZINC000165300439 361837811 /nfs/dbraw/zinc/83/78/11/361837811.db2.gz YQCANLGDEOAABJ-MWLCHTKSSA-N 0 3 224.373 3.291 20 0 BGADHN CCc1nc([C@@H](C)N[C@@H](C)C2CC2)cs1 ZINC000165314405 172002625 /nfs/dbraw/zinc/00/26/25/172002625.db2.gz YIFPPMSVEIGZFZ-DTWKUNHWSA-N 0 3 224.373 3.155 20 0 BGADHN CCc1nc([C@H](C)N[C@@H](C)C2CC2)cs1 ZINC000165314534 172005471 /nfs/dbraw/zinc/00/54/71/172005471.db2.gz YIFPPMSVEIGZFZ-IUCAKERBSA-N 0 3 224.373 3.155 20 0 BGADHN CCc1nc([C@@H](C)N[C@H](C)C2CC2)cs1 ZINC000165314659 172003049 /nfs/dbraw/zinc/00/30/49/172003049.db2.gz YIFPPMSVEIGZFZ-RKDXNWHRSA-N 0 3 224.373 3.155 20 0 BGADHN CCc1nc([C@H](C)N[C@H](C)C2CC2)cs1 ZINC000165314771 172007779 /nfs/dbraw/zinc/00/77/79/172007779.db2.gz YIFPPMSVEIGZFZ-BDAKNGLRSA-N 0 3 224.373 3.155 20 0 BGADHN C[C@H](NC1(c2ccccc2F)CC1)C1CC1 ZINC000165339286 385111639 /nfs/dbraw/zinc/11/16/39/385111639.db2.gz DBHVYHRNZFVRSF-JTQLQIEISA-N 0 3 219.303 3.203 20 0 BGADHN C[C@@H](NC1(c2ccccc2F)CC1)C1CC1 ZINC000165339406 385112184 /nfs/dbraw/zinc/11/21/84/385112184.db2.gz DBHVYHRNZFVRSF-SNVBAGLBSA-N 0 3 219.303 3.203 20 0 BGADHN CCCC(C)(C)NCc1cc(OC)cc(C)n1 ZINC000165381585 353328857 /nfs/dbraw/zinc/32/88/57/353328857.db2.gz IQUYTLHECBMJRI-UHFFFAOYSA-N 0 3 236.359 3.067 20 0 BGADHN COc1cc(C)nc(CN[C@@H]2CCC(C)(C)C2)c1 ZINC000165388765 398226395 /nfs/dbraw/zinc/22/63/95/398226395.db2.gz DRUMZISIJUXIBA-GFCCVEGCSA-N 0 3 248.370 3.067 20 0 BGADHN COc1cc(C)nc(CN[C@H]2CCC(C)(C)C2)c1 ZINC000165388889 398226647 /nfs/dbraw/zinc/22/66/47/398226647.db2.gz DRUMZISIJUXIBA-LBPRGKRZSA-N 0 3 248.370 3.067 20 0 BGADHN CCC1(CNCc2cc(F)ccc2F)CC1 ZINC000165458349 353353874 /nfs/dbraw/zinc/35/38/74/353353874.db2.gz ANDFGQOGXQRWSJ-UHFFFAOYSA-N 0 3 225.282 3.245 20 0 BGADHN CCC1(CNCc2c(F)cccc2F)CC1 ZINC000165460513 353353835 /nfs/dbraw/zinc/35/38/35/353353835.db2.gz HFTDGWWDOJLJGE-UHFFFAOYSA-N 0 3 225.282 3.245 20 0 BGADHN CCC1(CNCc2cccc(F)c2F)CC1 ZINC000165460802 326422649 /nfs/dbraw/zinc/42/26/49/326422649.db2.gz UPJKKULERSDYIE-UHFFFAOYSA-N 0 3 225.282 3.245 20 0 BGADHN CCC1(CNCc2cc(C)ccc2F)CC1 ZINC000165464115 353354571 /nfs/dbraw/zinc/35/45/71/353354571.db2.gz QJJZQJDBVWQARQ-UHFFFAOYSA-N 0 3 221.319 3.414 20 0 BGADHN CCC1(CNCc2ccc(F)cc2F)CC1 ZINC000165464379 326422978 /nfs/dbraw/zinc/42/29/78/326422978.db2.gz IOEMXLITPUGGRH-UHFFFAOYSA-N 0 3 225.282 3.245 20 0 BGADHN CCC1(CNCc2ccccc2F)CC1 ZINC000165467532 361840929 /nfs/dbraw/zinc/84/09/29/361840929.db2.gz HWKLWQUJNCORJQ-UHFFFAOYSA-N 0 3 207.292 3.106 20 0 BGADHN CCC1(CNCc2ccc(Cl)o2)CC1 ZINC000165467830 133659683 /nfs/dbraw/zinc/65/96/83/133659683.db2.gz CUTDVZBEOXWWDL-UHFFFAOYSA-N 0 3 213.708 3.213 20 0 BGADHN CC1(CNCc2cc(F)ccc2F)CCC1 ZINC000165476665 535153356 /nfs/dbraw/zinc/15/33/56/535153356.db2.gz HISXANMSNUMMQL-UHFFFAOYSA-N 0 3 225.282 3.245 20 0 BGADHN CC1(CNCc2c(F)cccc2F)CCC1 ZINC000165478719 353360180 /nfs/dbraw/zinc/36/01/80/353360180.db2.gz GGPVSULBLLUITF-UHFFFAOYSA-N 0 3 225.282 3.245 20 0 BGADHN CC1(CNCc2cccc(F)c2F)CCC1 ZINC000165478991 323077648 /nfs/dbraw/zinc/07/76/48/323077648.db2.gz RVKVRONERMPGBF-UHFFFAOYSA-N 0 3 225.282 3.245 20 0 BGADHN Cc1ccc(F)c(CNCC2(C)CCC2)c1 ZINC000165482067 353360982 /nfs/dbraw/zinc/36/09/82/353360982.db2.gz ZFTPWJNDNXTLKU-UHFFFAOYSA-N 0 3 221.319 3.414 20 0 BGADHN CC1(CNCc2ccc(F)cc2F)CCC1 ZINC000165482356 535152976 /nfs/dbraw/zinc/15/29/76/535152976.db2.gz XOHCEZCIARHEGC-UHFFFAOYSA-N 0 3 225.282 3.245 20 0 BGADHN CC1(CNCc2ccccc2F)CCC1 ZINC000165485793 353356385 /nfs/dbraw/zinc/35/63/85/353356385.db2.gz LYWBKOQOQUWDNZ-UHFFFAOYSA-N 0 3 207.292 3.106 20 0 BGADHN CC1(CNCc2ccc(Cl)o2)CCC1 ZINC000165486066 361840870 /nfs/dbraw/zinc/84/08/70/361840870.db2.gz UUEJMSFYWJIWRF-UHFFFAOYSA-N 0 3 213.708 3.213 20 0 BGADHN CCS[C@@H]1CCCC[C@@H]1NCc1ccco1 ZINC000165489282 385132827 /nfs/dbraw/zinc/13/28/27/385132827.db2.gz SZGTYHBFUQCZIY-QWHCGFSZSA-N 0 3 239.384 3.434 20 0 BGADHN CCS[C@H]1CCCC[C@@H]1NCc1ccco1 ZINC000165489416 385134588 /nfs/dbraw/zinc/13/45/88/385134588.db2.gz SZGTYHBFUQCZIY-STQMWFEESA-N 0 3 239.384 3.434 20 0 BGADHN CCS[C@@H]1CCCC[C@H]1NCc1ccco1 ZINC000165489544 385134490 /nfs/dbraw/zinc/13/44/90/385134490.db2.gz SZGTYHBFUQCZIY-CHWSQXEVSA-N 0 3 239.384 3.434 20 0 BGADHN CCS[C@H]1CCCC[C@H]1NCc1ccco1 ZINC000165489664 385133502 /nfs/dbraw/zinc/13/35/02/385133502.db2.gz SZGTYHBFUQCZIY-OLZOCXBDSA-N 0 3 239.384 3.434 20 0 BGADHN C[C@@H]1C[C@H](C)N(CCC(=O)c2ccc(F)cc2)C1 ZINC000165498216 203385930 /nfs/dbraw/zinc/38/59/30/203385930.db2.gz HPOSNXUCKPDBCR-NEPJUHHUSA-N 0 3 249.329 3.129 20 0 BGADHN C[C@H]1C[C@H](C)N(CCC(=O)c2ccc(F)cc2)C1 ZINC000165498348 203384816 /nfs/dbraw/zinc/38/48/16/203384816.db2.gz HPOSNXUCKPDBCR-RYUDHWBXSA-N 0 3 249.329 3.129 20 0 BGADHN C[C@@H]1C[C@@H](C)N(CCC(=O)c2ccc(F)cc2)C1 ZINC000165498473 203385122 /nfs/dbraw/zinc/38/51/22/203385122.db2.gz HPOSNXUCKPDBCR-VXGBXAGGSA-N 0 3 249.329 3.129 20 0 BGADHN C[C@@H]1C[C@H](C)CN1CCC(=O)c1ccc(F)cc1 ZINC000165498597 203386292 /nfs/dbraw/zinc/38/62/92/203386292.db2.gz HPOSNXUCKPDBCR-NWDGAFQWSA-N 0 3 249.329 3.129 20 0 BGADHN CC(C)CC(C)(C)CNCc1ccco1 ZINC000165539058 203385991 /nfs/dbraw/zinc/38/59/91/203385991.db2.gz ANVWDZWJGIDMGH-UHFFFAOYSA-N 0 3 209.333 3.442 20 0 BGADHN CCC1(CNCc2occc2C)CCC1 ZINC000165577434 361843647 /nfs/dbraw/zinc/84/36/47/361843647.db2.gz XWLSQOVGWJHFGB-UHFFFAOYSA-N 0 3 207.317 3.258 20 0 BGADHN CCC1(CNCc2ccc(C)o2)CCC1 ZINC000165579754 203384758 /nfs/dbraw/zinc/38/47/58/203384758.db2.gz IVBBAYDMPPGDFR-UHFFFAOYSA-N 0 3 207.317 3.258 20 0 BGADHN CCc1nc(CNCC2(CC)CCC2)cs1 ZINC000165580310 353390070 /nfs/dbraw/zinc/39/00/70/353390070.db2.gz ORYQBFDXAIURGS-UHFFFAOYSA-N 0 3 238.400 3.375 20 0 BGADHN CCC1(CNCc2nc(C)cs2)CCC1 ZINC000165580448 388253151 /nfs/dbraw/zinc/25/31/51/388253151.db2.gz KHKWPTPRMDQEHG-UHFFFAOYSA-N 0 3 224.373 3.121 20 0 BGADHN CCC1(CNCc2ccccc2F)CCC1 ZINC000165581270 353394923 /nfs/dbraw/zinc/39/49/23/353394923.db2.gz MDYHLFRMIJBHGC-UHFFFAOYSA-N 0 3 221.319 3.496 20 0 BGADHN CCC1(CNCc2csc(C)n2)CCC1 ZINC000165582129 168479440 /nfs/dbraw/zinc/47/94/40/168479440.db2.gz LTVZMPBPFWUROU-UHFFFAOYSA-N 0 3 224.373 3.121 20 0 BGADHN CCc1nc(CNCC2(C(C)C)CC2)cs1 ZINC000165595271 353393646 /nfs/dbraw/zinc/39/36/46/353393646.db2.gz KXBHUXQUTUDJBC-UHFFFAOYSA-N 0 3 238.400 3.231 20 0 BGADHN Cc1ccc(CNCC2(C(C)C)CC2)o1 ZINC000165595978 203384786 /nfs/dbraw/zinc/38/47/86/203384786.db2.gz YYNNLVFZEDQMRT-UHFFFAOYSA-N 0 3 207.317 3.114 20 0 BGADHN Cc1ccoc1CNCC1(C(C)C)CC1 ZINC000165597061 133664121 /nfs/dbraw/zinc/66/41/21/133664121.db2.gz BIRIMWLRUIUNNQ-UHFFFAOYSA-N 0 3 207.317 3.114 20 0 BGADHN CC(C)C1(CNCc2ccc(Cl)o2)CC1 ZINC000165597670 361842902 /nfs/dbraw/zinc/84/29/02/361842902.db2.gz FIUNHADDPNBHGZ-UHFFFAOYSA-N 0 3 227.735 3.459 20 0 BGADHN CC(C)C1(CNCc2ccccc2F)CC1 ZINC000165604094 353404636 /nfs/dbraw/zinc/40/46/36/353404636.db2.gz KWJKWFJWIWSHPQ-UHFFFAOYSA-N 0 3 221.319 3.352 20 0 BGADHN C[C@@H]1CCN(CCC(=O)c2ccccc2)C[C@@H]1C ZINC000165774209 203385321 /nfs/dbraw/zinc/38/53/21/203385321.db2.gz NYAAGXIEZQCCHP-KGLIPLIRSA-N 0 3 245.366 3.237 20 0 BGADHN C[C@H]1CN(CCC(=O)c2ccccc2)CC[C@@H]1C ZINC000165774335 203385724 /nfs/dbraw/zinc/38/57/24/203385724.db2.gz NYAAGXIEZQCCHP-KBPBESRZSA-N 0 3 245.366 3.237 20 0 BGADHN COc1cccc(CNC2CCCCC2)c1F ZINC000165779225 488006463 /nfs/dbraw/zinc/00/64/63/488006463.db2.gz DCBGMTSKZSUKFO-UHFFFAOYSA-N 0 3 237.318 3.257 20 0 BGADHN COc1cccc(CNCC2CCCC2)c1F ZINC000165800704 488043993 /nfs/dbraw/zinc/04/39/93/488043993.db2.gz IQOMMLVIHIWEJJ-UHFFFAOYSA-N 0 3 237.318 3.114 20 0 BGADHN COc1cccc(CN[C@H](C)CC(C)C)c1F ZINC000165800966 488044500 /nfs/dbraw/zinc/04/45/00/488044500.db2.gz MWOWRBMERHZYKY-LLVKDONJSA-N 0 3 239.334 3.359 20 0 BGADHN COc1cccc(CN[C@@H](C)CC(C)C)c1F ZINC000165801097 488044012 /nfs/dbraw/zinc/04/40/12/488044012.db2.gz MWOWRBMERHZYKY-NSHDSACASA-N 0 3 239.334 3.359 20 0 BGADHN COc1cccc(CNCCCC(C)C)c1F ZINC000165814126 488044209 /nfs/dbraw/zinc/04/42/09/488044209.db2.gz TVFCXJCGMUSXMO-UHFFFAOYSA-N 0 3 239.334 3.360 20 0 BGADHN COc1cccc(CNC2(C)CCCC2)c1F ZINC000165816852 488044372 /nfs/dbraw/zinc/04/43/72/488044372.db2.gz JRQANXRQWXKPRG-UHFFFAOYSA-N 0 3 237.318 3.257 20 0 BGADHN CC[C@@H](C)[C@@H](C)NCc1cccc(OC)c1F ZINC000165818313 487630664 /nfs/dbraw/zinc/63/06/64/487630664.db2.gz QDXWJOWBBNTHHE-GHMZBOCLSA-N 0 3 239.334 3.359 20 0 BGADHN CC[C@H](C)[C@@H](C)NCc1cccc(OC)c1F ZINC000165818447 488044093 /nfs/dbraw/zinc/04/40/93/488044093.db2.gz QDXWJOWBBNTHHE-WDEREUQCSA-N 0 3 239.334 3.359 20 0 BGADHN CC[C@@H](C)[C@H](C)NCc1cccc(OC)c1F ZINC000165818565 488044489 /nfs/dbraw/zinc/04/44/89/488044489.db2.gz QDXWJOWBBNTHHE-MNOVXSKESA-N 0 3 239.334 3.359 20 0 BGADHN CC[C@H](C)[C@H](C)NCc1cccc(OC)c1F ZINC000165818694 488044361 /nfs/dbraw/zinc/04/43/61/488044361.db2.gz QDXWJOWBBNTHHE-QWRGUYRKSA-N 0 3 239.334 3.359 20 0 BGADHN COc1cccc(CNC[C@H](C)C(C)C)c1F ZINC000165861078 488046731 /nfs/dbraw/zinc/04/67/31/488046731.db2.gz FNAUCIDCBMPJEH-NSHDSACASA-N 0 3 239.334 3.216 20 0 BGADHN COc1cccc(CNC[C@@H](C)C(C)C)c1F ZINC000165861207 488047203 /nfs/dbraw/zinc/04/72/03/488047203.db2.gz FNAUCIDCBMPJEH-LLVKDONJSA-N 0 3 239.334 3.216 20 0 BGADHN COc1cccc(CN[C@H]2CC=CCC2)c1F ZINC000165870027 488047232 /nfs/dbraw/zinc/04/72/32/488047232.db2.gz KYBRSBKTAFEZSR-LBPRGKRZSA-N 0 3 235.302 3.033 20 0 BGADHN COc1cccc(CN[C@@H]2CC=CCC2)c1F ZINC000165870157 488046637 /nfs/dbraw/zinc/04/66/37/488046637.db2.gz KYBRSBKTAFEZSR-GFCCVEGCSA-N 0 3 235.302 3.033 20 0 BGADHN CCCC1(CNCc2ccccc2F)CC1 ZINC000165973481 386904995 /nfs/dbraw/zinc/90/49/95/386904995.db2.gz VWIVUDMKIUJBAK-UHFFFAOYSA-N 0 3 221.319 3.496 20 0 BGADHN CCc1ccc([C@@H](C)N[C@@H](COC)C(C)C)o1 ZINC000165981497 326427641 /nfs/dbraw/zinc/42/76/41/326427641.db2.gz GJFOCBQCWXWDPK-YPMHNXCESA-N 0 3 239.359 3.164 20 0 BGADHN CCc1ccc([C@H](C)N[C@@H](COC)C(C)C)o1 ZINC000165981604 388414990 /nfs/dbraw/zinc/41/49/90/388414990.db2.gz GJFOCBQCWXWDPK-AAEUAGOBSA-N 0 3 239.359 3.164 20 0 BGADHN CCc1ccc([C@@H](C)N[C@H](COC)C(C)C)o1 ZINC000165981729 326427606 /nfs/dbraw/zinc/42/76/06/326427606.db2.gz GJFOCBQCWXWDPK-DGCLKSJQSA-N 0 3 239.359 3.164 20 0 BGADHN CCc1ccc([C@H](C)N[C@H](COC)C(C)C)o1 ZINC000165981838 326427614 /nfs/dbraw/zinc/42/76/14/326427614.db2.gz GJFOCBQCWXWDPK-WCQYABFASA-N 0 3 239.359 3.164 20 0 BGADHN CCc1ccc(CNCCSC(C)(C)C)o1 ZINC000165987241 633104401 /nfs/dbraw/zinc/10/44/01/633104401.db2.gz HYZVWQLCFXSLAG-UHFFFAOYSA-N 0 3 241.400 3.463 20 0 BGADHN CCc1ccc(CNCC2(C(C)C)CC2)o1 ZINC000165995056 386069731 /nfs/dbraw/zinc/06/97/31/386069731.db2.gz NPURXWAAVZUZAD-UHFFFAOYSA-N 0 3 221.344 3.368 20 0 BGADHN CC(C)(C)c1ccc(CNCc2cn[nH]c2)s1 ZINC000166011561 633104945 /nfs/dbraw/zinc/10/49/45/633104945.db2.gz JMSPGBXMELNXGP-UHFFFAOYSA-N 0 3 249.383 3.059 20 0 BGADHN CC(C)(C)c1ccc(CNCc2cnc[nH]2)s1 ZINC000166044426 633105746 /nfs/dbraw/zinc/10/57/46/633105746.db2.gz CDKJMXWFKXSTBP-UHFFFAOYSA-N 0 3 249.383 3.059 20 0 BGADHN CCC[C@H](O)CN[C@@H](CC)c1ccccc1F ZINC000166063778 385219261 /nfs/dbraw/zinc/21/92/61/385219261.db2.gz YEVHQVGUGVOUGH-FZMZJTMJSA-N 0 3 239.334 3.027 20 0 BGADHN CCC[C@@H](O)CN[C@@H](CC)c1ccccc1F ZINC000166063902 385220005 /nfs/dbraw/zinc/22/00/05/385220005.db2.gz YEVHQVGUGVOUGH-RISCZKNCSA-N 0 3 239.334 3.027 20 0 BGADHN CCC[C@H](O)CN[C@H](CC)c1ccccc1F ZINC000166064052 169519518 /nfs/dbraw/zinc/51/95/18/169519518.db2.gz YEVHQVGUGVOUGH-SMDDNHRTSA-N 0 3 239.334 3.027 20 0 BGADHN CCC[C@@H](O)CN[C@H](CC)c1ccccc1F ZINC000166064173 385220040 /nfs/dbraw/zinc/22/00/40/385220040.db2.gz YEVHQVGUGVOUGH-BXUZGUMPSA-N 0 3 239.334 3.027 20 0 BGADHN CC[C@@H](CCO)N[C@@H](CC)c1ccccc1F ZINC000166096214 203386989 /nfs/dbraw/zinc/38/69/89/203386989.db2.gz IJHGFWKMLFOHMD-FZMZJTMJSA-N 0 3 239.334 3.027 20 0 BGADHN CC[C@H](CCO)N[C@@H](CC)c1ccccc1F ZINC000166096321 387586990 /nfs/dbraw/zinc/58/69/90/387586990.db2.gz IJHGFWKMLFOHMD-RISCZKNCSA-N 0 3 239.334 3.027 20 0 BGADHN CC[C@@H](N[C@@H](CC)CCO)c1ccccc1F ZINC000166096450 203388170 /nfs/dbraw/zinc/38/81/70/203388170.db2.gz IJHGFWKMLFOHMD-SMDDNHRTSA-N 0 3 239.334 3.027 20 0 BGADHN CC[C@H](CCO)N[C@H](CC)c1ccccc1F ZINC000166096561 203387855 /nfs/dbraw/zinc/38/78/55/203387855.db2.gz IJHGFWKMLFOHMD-BXUZGUMPSA-N 0 3 239.334 3.027 20 0 BGADHN C[C@H](NC[C@@H]1CCC(C)(C)O1)c1ccsc1 ZINC000166104926 136046045 /nfs/dbraw/zinc/04/60/45/136046045.db2.gz WRATVTLDZUSBNM-JQWIXIFHSA-N 0 3 239.384 3.356 20 0 BGADHN C[C@@H](NC[C@@H]1CCC(C)(C)O1)c1ccsc1 ZINC000166105061 136046086 /nfs/dbraw/zinc/04/60/86/136046086.db2.gz WRATVTLDZUSBNM-PWSUYJOCSA-N 0 3 239.384 3.356 20 0 BGADHN C[C@H](NC[C@H]1CCC(C)(C)O1)c1ccsc1 ZINC000166105186 136045891 /nfs/dbraw/zinc/04/58/91/136045891.db2.gz WRATVTLDZUSBNM-CMPLNLGQSA-N 0 3 239.384 3.356 20 0 BGADHN C[C@@H](NC[C@H]1CCC(C)(C)O1)c1ccsc1 ZINC000166105316 136046744 /nfs/dbraw/zinc/04/67/44/136046744.db2.gz WRATVTLDZUSBNM-ZYHUDNBSSA-N 0 3 239.384 3.356 20 0 BGADHN CC[C@H](NCC(C)(C)OC)c1ccccc1F ZINC000166129926 136077779 /nfs/dbraw/zinc/07/77/79/136077779.db2.gz AGYUAMULISNZQX-ZDUSSCGKSA-N 0 3 239.334 3.291 20 0 BGADHN CC[C@@H](NCC(C)(C)OC)c1ccccc1F ZINC000166130040 535802926 /nfs/dbraw/zinc/80/29/26/535802926.db2.gz AGYUAMULISNZQX-CYBMUJFWSA-N 0 3 239.334 3.291 20 0 BGADHN CC[C@H](O)CCN[C@@H](CC)c1ccccc1F ZINC000166133839 385223573 /nfs/dbraw/zinc/22/35/73/385223573.db2.gz OKXMSVSCCHCXPT-FZMZJTMJSA-N 0 3 239.334 3.027 20 0 BGADHN CC[C@@H](O)CCN[C@@H](CC)c1ccccc1F ZINC000166133951 385221911 /nfs/dbraw/zinc/22/19/11/385221911.db2.gz OKXMSVSCCHCXPT-RISCZKNCSA-N 0 3 239.334 3.027 20 0 BGADHN CC[C@@H](NCC[C@@H](O)CC)c1ccccc1F ZINC000166134070 385222863 /nfs/dbraw/zinc/22/28/63/385222863.db2.gz OKXMSVSCCHCXPT-SMDDNHRTSA-N 0 3 239.334 3.027 20 0 BGADHN CC[C@@H](O)CCN[C@H](CC)c1ccccc1F ZINC000166134199 346666287 /nfs/dbraw/zinc/66/62/87/346666287.db2.gz OKXMSVSCCHCXPT-BXUZGUMPSA-N 0 3 239.334 3.027 20 0 BGADHN CC[C@H](NCCCC1CC1)c1ccc(F)cn1 ZINC000166149051 323077802 /nfs/dbraw/zinc/07/78/02/323077802.db2.gz WOBXEIOAAHIICW-ZDUSSCGKSA-N 0 3 236.334 3.452 20 0 BGADHN CC[C@@H](NCCCC1CC1)c1ccc(F)cn1 ZINC000166149168 388418461 /nfs/dbraw/zinc/41/84/61/388418461.db2.gz WOBXEIOAAHIICW-CYBMUJFWSA-N 0 3 236.334 3.452 20 0 BGADHN C[C@H](NC1CC1)c1ccc2ccccc2n1 ZINC000166199110 385227210 /nfs/dbraw/zinc/22/72/10/385227210.db2.gz FDDGZVHPRUDQAP-JTQLQIEISA-N 0 3 212.296 3.048 20 0 BGADHN C[C@@H](NC1CC1)c1ccc2ccccc2n1 ZINC000166199223 385226902 /nfs/dbraw/zinc/22/69/02/385226902.db2.gz FDDGZVHPRUDQAP-SNVBAGLBSA-N 0 3 212.296 3.048 20 0 BGADHN CC(C)(C)CNc1nc2ccc(F)cc2[nH]1 ZINC000166205532 534613847 /nfs/dbraw/zinc/61/38/47/534613847.db2.gz NGGOMFGYLAUTGO-UHFFFAOYSA-N 0 3 221.279 3.160 20 0 BGADHN C[C@H](NCCCO)c1cccc(Cl)c1Cl ZINC000166249347 388254497 /nfs/dbraw/zinc/25/44/97/388254497.db2.gz QZWCCRROQYPNBR-QMMMGPOBSA-N 0 3 248.153 3.026 20 0 BGADHN C[C@@H](NCCCO)c1cccc(Cl)c1Cl ZINC000166249470 388254634 /nfs/dbraw/zinc/25/46/34/388254634.db2.gz QZWCCRROQYPNBR-MRVPVSSYSA-N 0 3 248.153 3.026 20 0 BGADHN C[C@H](NCCCO)c1cc(Cl)cc(Cl)c1 ZINC000166263571 388254584 /nfs/dbraw/zinc/25/45/84/388254584.db2.gz YDCGMKSVBVXNJI-QMMMGPOBSA-N 0 3 248.153 3.026 20 0 BGADHN C[C@@H](NCCCO)c1cc(Cl)cc(Cl)c1 ZINC000166263680 388254636 /nfs/dbraw/zinc/25/46/36/388254636.db2.gz YDCGMKSVBVXNJI-MRVPVSSYSA-N 0 3 248.153 3.026 20 0 BGADHN CC[C@@H](CO)N[C@@H](CC)c1ccc(Cl)s1 ZINC000166279899 170841804 /nfs/dbraw/zinc/84/18/04/170841804.db2.gz BXNMPUXCQZQROH-IUCAKERBSA-N 0 3 247.791 3.213 20 0 BGADHN CC[C@@H](N[C@@H](CC)CO)c1ccc(Cl)s1 ZINC000166280017 388254579 /nfs/dbraw/zinc/25/45/79/388254579.db2.gz BXNMPUXCQZQROH-DTWKUNHWSA-N 0 3 247.791 3.213 20 0 BGADHN CC[C@H](NCCSC)c1ccccc1F ZINC000166292009 344846357 /nfs/dbraw/zinc/84/63/57/344846357.db2.gz JNBAZAYOOWGTQU-LBPRGKRZSA-N 0 3 227.348 3.229 20 0 BGADHN CC[C@@H](NCCSC)c1ccccc1F ZINC000166292123 344846367 /nfs/dbraw/zinc/84/63/67/344846367.db2.gz JNBAZAYOOWGTQU-GFCCVEGCSA-N 0 3 227.348 3.229 20 0 BGADHN CC[C@@H](C)N[C@@H]1CCOc2c(F)cccc21 ZINC000166324290 136344682 /nfs/dbraw/zinc/34/46/82/136344682.db2.gz IKXUFPQXBOIJIN-BXKDBHETSA-N 0 3 223.291 3.037 20 0 BGADHN CC[C@H](C)N[C@@H]1CCOc2c(F)cccc21 ZINC000166324420 536174710 /nfs/dbraw/zinc/17/47/10/536174710.db2.gz IKXUFPQXBOIJIN-JOYOIKCWSA-N 0 3 223.291 3.037 20 0 BGADHN CC[C@@H](C)N[C@H]1CCOc2c(F)cccc21 ZINC000166324540 385236150 /nfs/dbraw/zinc/23/61/50/385236150.db2.gz IKXUFPQXBOIJIN-SKDRFNHKSA-N 0 3 223.291 3.037 20 0 BGADHN CC[C@H](C)N[C@H]1CCOc2c(F)cccc21 ZINC000166324654 171349024 /nfs/dbraw/zinc/34/90/24/171349024.db2.gz IKXUFPQXBOIJIN-CABZTGNLSA-N 0 3 223.291 3.037 20 0 BGADHN CC[C@@H](C)N[C@@H]1COc2ccc(Cl)cc21 ZINC000166325299 136345052 /nfs/dbraw/zinc/34/50/52/136345052.db2.gz KQOUTCVCCALUSQ-LDYMZIIASA-N 0 3 225.719 3.162 20 0 BGADHN CC[C@H](C)N[C@@H]1COc2ccc(Cl)cc21 ZINC000166325424 536174648 /nfs/dbraw/zinc/17/46/48/536174648.db2.gz KQOUTCVCCALUSQ-GZMMTYOYSA-N 0 3 225.719 3.162 20 0 BGADHN CC[C@@H](C)N[C@H]1COc2ccc(Cl)cc21 ZINC000166325545 535606886 /nfs/dbraw/zinc/60/68/86/535606886.db2.gz KQOUTCVCCALUSQ-KCJUWKMLSA-N 0 3 225.719 3.162 20 0 BGADHN CC[C@H](C)N[C@H]1COc2ccc(Cl)cc21 ZINC000166325668 136345109 /nfs/dbraw/zinc/34/51/09/136345109.db2.gz KQOUTCVCCALUSQ-KWQFWETISA-N 0 3 225.719 3.162 20 0 BGADHN CC[C@@H](C)N[C@@H]1CCOc2ccc(F)cc21 ZINC000166336178 170756871 /nfs/dbraw/zinc/75/68/71/170756871.db2.gz DARBRZMVSLIBFT-BXKDBHETSA-N 0 3 223.291 3.037 20 0 BGADHN CC[C@H](C)N[C@@H]1CCOc2ccc(F)cc21 ZINC000166336302 171347515 /nfs/dbraw/zinc/34/75/15/171347515.db2.gz DARBRZMVSLIBFT-JOYOIKCWSA-N 0 3 223.291 3.037 20 0 BGADHN CC[C@@H](C)N[C@H]1CCOc2ccc(F)cc21 ZINC000166336415 385239108 /nfs/dbraw/zinc/23/91/08/385239108.db2.gz DARBRZMVSLIBFT-SKDRFNHKSA-N 0 3 223.291 3.037 20 0 BGADHN CC[C@H](C)N[C@H]1CCOc2ccc(F)cc21 ZINC000166336503 171349144 /nfs/dbraw/zinc/34/91/44/171349144.db2.gz DARBRZMVSLIBFT-CABZTGNLSA-N 0 3 223.291 3.037 20 0 BGADHN CSCCN[C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000166363080 344875735 /nfs/dbraw/zinc/87/57/35/344875735.db2.gz KJDHQNOLXVFRDT-ZETCQYMHSA-N 0 3 249.301 3.118 20 0 BGADHN CSCCN[C@H](C)c1cc(F)c(F)c(F)c1 ZINC000166363201 344875607 /nfs/dbraw/zinc/87/56/07/344875607.db2.gz KJDHQNOLXVFRDT-SSDOTTSWSA-N 0 3 249.301 3.118 20 0 BGADHN CC[C@H](NC[C@@H]1CCCO1)c1cccc(F)c1 ZINC000166413903 385245292 /nfs/dbraw/zinc/24/52/92/385245292.db2.gz YANXEIJUKNUIDF-KBPBESRZSA-N 0 3 237.318 3.045 20 0 BGADHN CC[C@@H](NC[C@@H]1CCCO1)c1cccc(F)c1 ZINC000166414025 385245039 /nfs/dbraw/zinc/24/50/39/385245039.db2.gz YANXEIJUKNUIDF-UONOGXRCSA-N 0 3 237.318 3.045 20 0 BGADHN CC[C@H](NC[C@H]1CCCO1)c1cccc(F)c1 ZINC000166414138 385244833 /nfs/dbraw/zinc/24/48/33/385244833.db2.gz YANXEIJUKNUIDF-KGLIPLIRSA-N 0 3 237.318 3.045 20 0 BGADHN CC[C@@H](NC[C@H]1CCCO1)c1cccc(F)c1 ZINC000166414247 385245116 /nfs/dbraw/zinc/24/51/16/385245116.db2.gz YANXEIJUKNUIDF-ZIAGYGMSSA-N 0 3 237.318 3.045 20 0 BGADHN C[C@H](Nc1ccnc2ccccc21)[C@@H]1CCOC1 ZINC000166414421 385243583 /nfs/dbraw/zinc/24/35/83/385243583.db2.gz AUNIUVPPOZYVOE-NWDGAFQWSA-N 0 3 242.322 3.072 20 0 BGADHN C[C@@H](Nc1ccnc2ccccc21)[C@@H]1CCOC1 ZINC000166414532 175934803 /nfs/dbraw/zinc/93/48/03/175934803.db2.gz AUNIUVPPOZYVOE-VXGBXAGGSA-N 0 3 242.322 3.072 20 0 BGADHN C[C@H](Nc1ccnc2ccccc21)[C@H]1CCOC1 ZINC000166414647 385244672 /nfs/dbraw/zinc/24/46/72/385244672.db2.gz AUNIUVPPOZYVOE-RYUDHWBXSA-N 0 3 242.322 3.072 20 0 BGADHN C[C@@H](Nc1ccnc2ccccc21)[C@H]1CCOC1 ZINC000166414762 385245066 /nfs/dbraw/zinc/24/50/66/385245066.db2.gz AUNIUVPPOZYVOE-NEPJUHHUSA-N 0 3 242.322 3.072 20 0 BGADHN CC[C@H](NCc1cccnc1)c1cccc(F)c1 ZINC000166431850 171531312 /nfs/dbraw/zinc/53/13/12/171531312.db2.gz YFXJUSGQCRKRER-HNNXBMFYSA-N 0 3 244.313 3.462 20 0 BGADHN CC[C@@H](NCc1cccnc1)c1cccc(F)c1 ZINC000166431964 346677032 /nfs/dbraw/zinc/67/70/32/346677032.db2.gz YFXJUSGQCRKRER-OAHLLOKOSA-N 0 3 244.313 3.462 20 0 BGADHN CCCCCCc1csc([C@H](C)N)n1 ZINC000166438276 640641487 /nfs/dbraw/zinc/64/14/87/640641487.db2.gz GHCYLOSFHVBEPM-VIFPVBQESA-N 0 3 212.362 3.286 20 0 BGADHN CC[C@H](NC1CCC1)c1ccccc1F ZINC000166450512 171515201 /nfs/dbraw/zinc/51/52/01/171515201.db2.gz BXFJLJDXNBCRFB-ZDUSSCGKSA-N 0 3 207.292 3.419 20 0 BGADHN CC[C@@H](NC1CCC1)c1ccccc1F ZINC000166450583 386931247 /nfs/dbraw/zinc/93/12/47/386931247.db2.gz BXFJLJDXNBCRFB-CYBMUJFWSA-N 0 3 207.292 3.419 20 0 BGADHN CC(C)[C@@H](C)N[C@@H]1COc2ccc(Cl)cc21 ZINC000166452233 528420470 /nfs/dbraw/zinc/42/04/70/528420470.db2.gz IWTWYXYTSDLELL-BXKDBHETSA-N 0 3 239.746 3.408 20 0 BGADHN CC(C)[C@H](C)N[C@@H]1COc2ccc(Cl)cc21 ZINC000166452344 528972282 /nfs/dbraw/zinc/97/22/82/528972282.db2.gz IWTWYXYTSDLELL-JOYOIKCWSA-N 0 3 239.746 3.408 20 0 BGADHN CC(C)[C@@H](C)N[C@H]1COc2ccc(Cl)cc21 ZINC000166452445 528420700 /nfs/dbraw/zinc/42/07/00/528420700.db2.gz IWTWYXYTSDLELL-SKDRFNHKSA-N 0 3 239.746 3.408 20 0 BGADHN CC(C)[C@H](C)N[C@H]1COc2ccc(Cl)cc21 ZINC000166452530 528972568 /nfs/dbraw/zinc/97/25/68/528972568.db2.gz IWTWYXYTSDLELL-CABZTGNLSA-N 0 3 239.746 3.408 20 0 BGADHN CCN[C@@H](C)c1cc(Cl)c(OC)cc1OC ZINC000166469448 170141299 /nfs/dbraw/zinc/14/12/99/170141299.db2.gz JSCBMOZAQIDYAA-QMMMGPOBSA-N 0 3 243.734 3.028 20 0 BGADHN CCN[C@H](C)c1cc(Cl)c(OC)cc1OC ZINC000166469566 170158971 /nfs/dbraw/zinc/15/89/71/170158971.db2.gz JSCBMOZAQIDYAA-MRVPVSSYSA-N 0 3 243.734 3.028 20 0 BGADHN CCN[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000166469886 170143127 /nfs/dbraw/zinc/14/31/27/170143127.db2.gz JWDBVEIOCFFVLJ-JTQLQIEISA-N 0 3 232.352 3.481 20 0 BGADHN CCN[C@H](C)c1nc(-c2ccccc2)cs1 ZINC000166470013 170160541 /nfs/dbraw/zinc/16/05/41/170160541.db2.gz JWDBVEIOCFFVLJ-SNVBAGLBSA-N 0 3 232.352 3.481 20 0 BGADHN C[C@H](N[C@@H]1COc2ccc(Cl)cc21)C1CC1 ZINC000166504882 136356844 /nfs/dbraw/zinc/35/68/44/136356844.db2.gz IUSIJIGJJYPSLR-QPUJVOFHSA-N 0 3 237.730 3.162 20 0 BGADHN C[C@@H](N[C@@H]1COc2ccc(Cl)cc21)C1CC1 ZINC000166504992 385251023 /nfs/dbraw/zinc/25/10/23/385251023.db2.gz IUSIJIGJJYPSLR-PRHODGIISA-N 0 3 237.730 3.162 20 0 BGADHN C[C@H](N[C@H]1COc2ccc(Cl)cc21)C1CC1 ZINC000166505108 136357525 /nfs/dbraw/zinc/35/75/25/136357525.db2.gz IUSIJIGJJYPSLR-UFBFGSQYSA-N 0 3 237.730 3.162 20 0 BGADHN C[C@@H](N[C@H]1COc2ccc(Cl)cc21)C1CC1 ZINC000166505213 136357614 /nfs/dbraw/zinc/35/76/14/136357614.db2.gz IUSIJIGJJYPSLR-PELKAZGASA-N 0 3 237.730 3.162 20 0 BGADHN C[C@H](N[C@@H](C)C1CC1)c1cccnc1Cl ZINC000166505334 386946865 /nfs/dbraw/zinc/94/68/65/386946865.db2.gz YUCFDDROSFUSJH-IUCAKERBSA-N 0 3 224.735 3.184 20 0 BGADHN C[C@@H](N[C@@H](C)C1CC1)c1cccnc1Cl ZINC000166505442 388255228 /nfs/dbraw/zinc/25/52/28/388255228.db2.gz YUCFDDROSFUSJH-DTWKUNHWSA-N 0 3 224.735 3.184 20 0 BGADHN C[C@@H](N[C@@H](C)c1cccnc1Cl)C1CC1 ZINC000166505535 388255244 /nfs/dbraw/zinc/25/52/44/388255244.db2.gz YUCFDDROSFUSJH-BDAKNGLRSA-N 0 3 224.735 3.184 20 0 BGADHN C[C@@H](N[C@H](C)C1CC1)c1cccnc1Cl ZINC000166505629 388254809 /nfs/dbraw/zinc/25/48/09/388254809.db2.gz YUCFDDROSFUSJH-RKDXNWHRSA-N 0 3 224.735 3.184 20 0 BGADHN CC[C@H](NCc1c[nH]nc1C)c1cccc(F)c1 ZINC000166531259 385249605 /nfs/dbraw/zinc/24/96/05/385249605.db2.gz YQMWNRRQKRIRQP-AWEZNQCLSA-N 0 3 247.317 3.098 20 0 BGADHN CC[C@@H](NCc1c[nH]nc1C)c1cccc(F)c1 ZINC000166531365 346679670 /nfs/dbraw/zinc/67/96/70/346679670.db2.gz YQMWNRRQKRIRQP-CQSZACIVSA-N 0 3 247.317 3.098 20 0 BGADHN CCOC[C@H](C)N[C@@H](CC)c1cccc(F)c1 ZINC000166559976 385253619 /nfs/dbraw/zinc/25/36/19/385253619.db2.gz ABQIVHLCLIHFKI-FZMZJTMJSA-N 0 3 239.334 3.291 20 0 BGADHN CCOC[C@H](C)N[C@H](CC)c1cccc(F)c1 ZINC000166560075 388254892 /nfs/dbraw/zinc/25/48/92/388254892.db2.gz ABQIVHLCLIHFKI-SMDDNHRTSA-N 0 3 239.334 3.291 20 0 BGADHN COc1ccc(Cl)cc1[C@H](C)NCC1CC1 ZINC000166577482 388255296 /nfs/dbraw/zinc/25/52/96/388255296.db2.gz HNSZKOXHVKLWIP-VIFPVBQESA-N 0 3 239.746 3.409 20 0 BGADHN COc1ccc(Cl)cc1[C@@H](C)NCC1CC1 ZINC000166577599 388254814 /nfs/dbraw/zinc/25/48/14/388254814.db2.gz HNSZKOXHVKLWIP-SECBINFHSA-N 0 3 239.746 3.409 20 0 BGADHN CC[C@H](N[C@@H]1CCCOC1)c1cccc(F)c1 ZINC000166585868 388255316 /nfs/dbraw/zinc/25/53/16/388255316.db2.gz QMSYMEOYAPKBKX-KGLIPLIRSA-N 0 3 237.318 3.045 20 0 BGADHN CC[C@@H](N[C@@H]1CCCOC1)c1cccc(F)c1 ZINC000166585971 361853125 /nfs/dbraw/zinc/85/31/25/361853125.db2.gz QMSYMEOYAPKBKX-ZIAGYGMSSA-N 0 3 237.318 3.045 20 0 BGADHN CC[C@H](N[C@H]1CCCOC1)c1cccc(F)c1 ZINC000166586074 388254919 /nfs/dbraw/zinc/25/49/19/388254919.db2.gz QMSYMEOYAPKBKX-KBPBESRZSA-N 0 3 237.318 3.045 20 0 BGADHN CC[C@@H](N[C@H]1CCCOC1)c1cccc(F)c1 ZINC000166586176 361853712 /nfs/dbraw/zinc/85/37/12/361853712.db2.gz QMSYMEOYAPKBKX-UONOGXRCSA-N 0 3 237.318 3.045 20 0 BGADHN CC(C)(C)NCc1cnc(C(F)(F)F)s1 ZINC000166591640 136361119 /nfs/dbraw/zinc/36/11/19/136361119.db2.gz SZSCPZDTAAHDDU-UHFFFAOYSA-N 0 3 238.278 3.050 20 0 BGADHN CC1CC(N[C@@H]2CCCc3occc32)C1 ZINC000166619817 168148516 /nfs/dbraw/zinc/14/85/16/168148516.db2.gz XTISVDLOACWSSK-RTYFJBAXSA-N 0 3 205.301 3.045 20 0 BGADHN CC1CC(N[C@H]2CCCc3occc32)C1 ZINC000166619916 168148373 /nfs/dbraw/zinc/14/83/73/168148373.db2.gz XTISVDLOACWSSK-CBINBANVSA-N 0 3 205.301 3.045 20 0 BGADHN Cc1cc([C@@H](C)NC2CC(C)C2)c(C)o1 ZINC000166626892 178222985 /nfs/dbraw/zinc/22/29/85/178222985.db2.gz PMHVLRCDLKGUAR-KRBLXSNTSA-N 0 3 207.317 3.346 20 0 BGADHN Cc1cc([C@H](C)NC2CC(C)C2)c(C)o1 ZINC000166627055 178245349 /nfs/dbraw/zinc/24/53/49/178245349.db2.gz PMHVLRCDLKGUAR-BSTRBVHOSA-N 0 3 207.317 3.346 20 0 BGADHN CCOCCN[C@@H](CC)c1ccc(Cl)s1 ZINC000166630914 388255044 /nfs/dbraw/zinc/25/50/44/388255044.db2.gz ZARWRZVKHFFYQH-VIFPVBQESA-N 0 3 247.791 3.479 20 0 BGADHN CCOCCN[C@H](CC)c1ccc(Cl)s1 ZINC000166631040 386971705 /nfs/dbraw/zinc/97/17/05/386971705.db2.gz ZARWRZVKHFFYQH-SECBINFHSA-N 0 3 247.791 3.479 20 0 BGADHN CC1CC(NCc2nc(C(C)(C)C)cs2)C1 ZINC000166631077 355730648 /nfs/dbraw/zinc/73/06/48/355730648.db2.gz GDYBZOAOGCXYBE-UHFFFAOYSA-N 0 3 238.400 3.329 20 0 BGADHN C[C@@H](CCCC(F)(F)F)NCc1ccco1 ZINC000166648487 136362267 /nfs/dbraw/zinc/36/22/67/136362267.db2.gz KSZREOGMRJVGAW-VIFPVBQESA-N 0 3 235.249 3.490 20 0 BGADHN C[C@H](CCCC(F)(F)F)NCc1ccco1 ZINC000166648606 136362077 /nfs/dbraw/zinc/36/20/77/136362077.db2.gz KSZREOGMRJVGAW-SECBINFHSA-N 0 3 235.249 3.490 20 0 BGADHN CC[C@H](NCCOC(C)C)c1cccc(F)c1 ZINC000166664724 385270105 /nfs/dbraw/zinc/27/01/05/385270105.db2.gz AKQPSSUWECNNLU-AWEZNQCLSA-N 0 3 239.334 3.291 20 0 BGADHN CC[C@@H](NCCOC(C)C)c1cccc(F)c1 ZINC000166664849 385269685 /nfs/dbraw/zinc/26/96/85/385269685.db2.gz AKQPSSUWECNNLU-CQSZACIVSA-N 0 3 239.334 3.291 20 0 BGADHN CCC[C@@H](CC)NCc1ccc(COC)o1 ZINC000166685264 169379691 /nfs/dbraw/zinc/37/96/91/169379691.db2.gz YMEZFVIWOWIJTA-LLVKDONJSA-N 0 3 225.332 3.094 20 0 BGADHN CCC[C@H](CC)NCc1ccc(COC)o1 ZINC000166685378 187645665 /nfs/dbraw/zinc/64/56/65/187645665.db2.gz YMEZFVIWOWIJTA-NSHDSACASA-N 0 3 225.332 3.094 20 0 BGADHN C[C@@H](CCCC(F)(F)F)NCc1ccoc1 ZINC000166710411 355826123 /nfs/dbraw/zinc/82/61/23/355826123.db2.gz ZVJABGXUZIRHBX-VIFPVBQESA-N 0 3 235.249 3.490 20 0 BGADHN C[C@H](CCCC(F)(F)F)NCc1ccoc1 ZINC000166710520 355827183 /nfs/dbraw/zinc/82/71/83/355827183.db2.gz ZVJABGXUZIRHBX-SECBINFHSA-N 0 3 235.249 3.490 20 0 BGADHN C[C@@H](CSC(C)(C)C)NCc1ccoc1 ZINC000166764276 388255674 /nfs/dbraw/zinc/25/56/74/388255674.db2.gz PYYWAHYTRWSJQA-JTQLQIEISA-N 0 3 227.373 3.289 20 0 BGADHN C[C@H](CSC(C)(C)C)NCc1ccoc1 ZINC000166764378 388255697 /nfs/dbraw/zinc/25/56/97/388255697.db2.gz PYYWAHYTRWSJQA-SNVBAGLBSA-N 0 3 227.373 3.289 20 0 BGADHN C[C@H](CO)N[C@@H](C)c1cccc(Cl)c1Cl ZINC000166778807 388255746 /nfs/dbraw/zinc/25/57/46/388255746.db2.gz IPGWJKAUCJAVAU-SFYZADRCSA-N 0 3 248.153 3.025 20 0 BGADHN C[C@H](CO)N[C@H](C)c1cccc(Cl)c1Cl ZINC000166778944 176706901 /nfs/dbraw/zinc/70/69/01/176706901.db2.gz IPGWJKAUCJAVAU-HTQZYQBOSA-N 0 3 248.153 3.025 20 0 BGADHN C[C@H](CO)N[C@@H](C)c1cc(Cl)cc(Cl)c1 ZINC000166790875 388255586 /nfs/dbraw/zinc/25/55/86/388255586.db2.gz YLAPTJFWGPTNSJ-SFYZADRCSA-N 0 3 248.153 3.025 20 0 BGADHN C[C@H](CO)N[C@H](C)c1cc(Cl)cc(Cl)c1 ZINC000166790991 387717996 /nfs/dbraw/zinc/71/79/96/387717996.db2.gz YLAPTJFWGPTNSJ-HTQZYQBOSA-N 0 3 248.153 3.025 20 0 BGADHN Cc1ccsc1CN[C@@H](C)CC(F)(F)F ZINC000166908340 361859526 /nfs/dbraw/zinc/85/95/26/361859526.db2.gz UEWAWVYIKOFDAB-QMMMGPOBSA-N 0 3 237.290 3.487 20 0 BGADHN Cc1ccsc1CN[C@H](C)CC(F)(F)F ZINC000166908456 361859484 /nfs/dbraw/zinc/85/94/84/361859484.db2.gz UEWAWVYIKOFDAB-MRVPVSSYSA-N 0 3 237.290 3.487 20 0 BGADHN CCc1noc(CC)c1CN[C@@H](C)[C@@H](C)CC ZINC000166932851 326436779 /nfs/dbraw/zinc/43/67/79/326436779.db2.gz MTOISUNKNQQCIF-QWRGUYRKSA-N 0 3 238.375 3.324 20 0 BGADHN CCc1noc(CC)c1CN[C@H](C)[C@@H](C)CC ZINC000166932967 326436768 /nfs/dbraw/zinc/43/67/68/326436768.db2.gz MTOISUNKNQQCIF-WDEREUQCSA-N 0 3 238.375 3.324 20 0 BGADHN CCc1noc(CC)c1CN[C@@H](C)[C@H](C)CC ZINC000166933069 326436791 /nfs/dbraw/zinc/43/67/91/326436791.db2.gz MTOISUNKNQQCIF-MNOVXSKESA-N 0 3 238.375 3.324 20 0 BGADHN CCc1noc(CC)c1CN[C@H](C)[C@H](C)CC ZINC000166933167 388434828 /nfs/dbraw/zinc/43/48/28/388434828.db2.gz MTOISUNKNQQCIF-GHMZBOCLSA-N 0 3 238.375 3.324 20 0 BGADHN CCc1ccc([C@H](C)NC[C@@H]2C[C@@H]2C)o1 ZINC000166934955 206143079 /nfs/dbraw/zinc/14/30/79/206143079.db2.gz WMFYDQYZTAMSJF-DCAQKATOSA-N 0 3 207.317 3.149 20 0 BGADHN CCc1ccc([C@H](C)NC[C@H]2C[C@@H]2C)o1 ZINC000166935192 206140985 /nfs/dbraw/zinc/14/09/85/206140985.db2.gz WMFYDQYZTAMSJF-GARJFASQSA-N 0 3 207.317 3.149 20 0 BGADHN C[C@H](NCC1CCC1)c1cccnc1Cl ZINC000166956533 398003938 /nfs/dbraw/zinc/00/39/38/398003938.db2.gz LGZDSTQTGRLGDR-VIFPVBQESA-N 0 3 224.735 3.186 20 0 BGADHN C[C@@H](NCC1CCC1)c1cccnc1Cl ZINC000166956645 398003534 /nfs/dbraw/zinc/00/35/34/398003534.db2.gz LGZDSTQTGRLGDR-SECBINFHSA-N 0 3 224.735 3.186 20 0 BGADHN CCOC(C)(C)CNCc1ccc(Cl)s1 ZINC000166958274 170312731 /nfs/dbraw/zinc/31/27/31/170312731.db2.gz LFSDPAMIWPWDJL-UHFFFAOYSA-N 0 3 247.791 3.306 20 0 BGADHN C[C@@H]1C[C@@H]1CNCc1nc(C(C)(C)C)cs1 ZINC000166959400 206140828 /nfs/dbraw/zinc/14/08/28/206140828.db2.gz WMKMCKWYMQWMDZ-NXEZZACHSA-N 0 3 238.400 3.186 20 0 BGADHN C[C@H]1C[C@@H]1CNCc1nc(C(C)(C)C)cs1 ZINC000166959525 206143023 /nfs/dbraw/zinc/14/30/23/206143023.db2.gz WMKMCKWYMQWMDZ-VHSXEESVSA-N 0 3 238.400 3.186 20 0 BGADHN C[C@@H]1C[C@H]1CNCc1nc(C(C)(C)C)cs1 ZINC000166959635 206140266 /nfs/dbraw/zinc/14/02/66/206140266.db2.gz WMKMCKWYMQWMDZ-ZJUUUORDSA-N 0 3 238.400 3.186 20 0 BGADHN C[C@H]1C[C@H]1CNCc1nc(C(C)(C)C)cs1 ZINC000166959735 206142494 /nfs/dbraw/zinc/14/24/94/206142494.db2.gz WMKMCKWYMQWMDZ-UWVGGRQHSA-N 0 3 238.400 3.186 20 0 BGADHN CCOC(C)(C)CN[C@@H](C)c1ccsc1 ZINC000166959886 170313832 /nfs/dbraw/zinc/31/38/32/170313832.db2.gz MPMQNUVPGWIREL-JTQLQIEISA-N 0 3 227.373 3.214 20 0 BGADHN CCOC(C)(C)CN[C@H](C)c1ccsc1 ZINC000166959984 170313989 /nfs/dbraw/zinc/31/39/89/170313989.db2.gz MPMQNUVPGWIREL-SNVBAGLBSA-N 0 3 227.373 3.214 20 0 BGADHN CCOC(C)(C)CNCc1ccc(Cl)cc1 ZINC000166964062 170312609 /nfs/dbraw/zinc/31/26/09/170312609.db2.gz FUUAOXCQYYMRBB-UHFFFAOYSA-N 0 3 241.762 3.245 20 0 BGADHN CCc1ccc([C@@H](C)NCC2CCC2)o1 ZINC000166964455 529706848 /nfs/dbraw/zinc/70/68/48/529706848.db2.gz LFVYDIXWTQVDDJ-SNVBAGLBSA-N 0 3 207.317 3.293 20 0 BGADHN CCOC(C)(C)CN[C@@H](C)c1ccc(C)o1 ZINC000166964482 170314138 /nfs/dbraw/zinc/31/41/38/170314138.db2.gz DGXXCKPLUUAEIH-NSHDSACASA-N 0 3 225.332 3.054 20 0 BGADHN CCc1ccc([C@H](C)NCC2CCC2)o1 ZINC000166964575 206142437 /nfs/dbraw/zinc/14/24/37/206142437.db2.gz LFVYDIXWTQVDDJ-JTQLQIEISA-N 0 3 207.317 3.293 20 0 BGADHN CCOC(C)(C)CN[C@H](C)c1ccc(C)o1 ZINC000166964593 170313812 /nfs/dbraw/zinc/31/38/12/170313812.db2.gz DGXXCKPLUUAEIH-LLVKDONJSA-N 0 3 225.332 3.054 20 0 BGADHN CCOC(C)(C)CNCc1cc(Cl)cs1 ZINC000166981550 170312868 /nfs/dbraw/zinc/31/28/68/170312868.db2.gz SLLLMPWPXLLKJW-UHFFFAOYSA-N 0 3 247.791 3.306 20 0 BGADHN CCOC(C)(C)CNCc1ccccc1Cl ZINC000166982442 170313301 /nfs/dbraw/zinc/31/33/01/170313301.db2.gz QZSNWRFCBZUYTK-UHFFFAOYSA-N 0 3 241.762 3.245 20 0 BGADHN CCOC(C)(C)CNCc1cccc(Cl)c1 ZINC000166985436 170312288 /nfs/dbraw/zinc/31/22/88/170312288.db2.gz PXDJFERUDUBOBI-UHFFFAOYSA-N 0 3 241.762 3.245 20 0 BGADHN CCc1noc(CC)c1CN[C@@H](C)C(C)(C)C ZINC000166988415 388435873 /nfs/dbraw/zinc/43/58/73/388435873.db2.gz ZSBLHUPCDXRQRT-JTQLQIEISA-N 0 3 238.375 3.324 20 0 BGADHN CCc1noc(CC)c1CN[C@H](C)C(C)(C)C ZINC000166988538 388435970 /nfs/dbraw/zinc/43/59/70/388435970.db2.gz ZSBLHUPCDXRQRT-SNVBAGLBSA-N 0 3 238.375 3.324 20 0 BGADHN CCc1noc(CC)c1CN[C@@H](C)C1(C)CC1 ZINC000166988647 136367651 /nfs/dbraw/zinc/36/76/51/136367651.db2.gz YEVNRKMZHKAYBH-JTQLQIEISA-N 0 3 236.359 3.078 20 0 BGADHN CCc1noc(CC)c1CN[C@H](C)C1(C)CC1 ZINC000166988747 136367788 /nfs/dbraw/zinc/36/77/88/136367788.db2.gz YEVNRKMZHKAYBH-SNVBAGLBSA-N 0 3 236.359 3.078 20 0 BGADHN CCc1noc(CC)c1CN[C@@H](CC)C1CC1 ZINC000166998082 355952244 /nfs/dbraw/zinc/95/22/44/355952244.db2.gz XYMSMOWOAWYBER-LBPRGKRZSA-N 0 3 236.359 3.078 20 0 BGADHN CCc1noc(CC)c1CN[C@H](CC)C1CC1 ZINC000166998186 355952066 /nfs/dbraw/zinc/95/20/66/355952066.db2.gz XYMSMOWOAWYBER-GFCCVEGCSA-N 0 3 236.359 3.078 20 0 BGADHN CO[C@@H](C)CN[C@@H](C)c1ccc(Cl)s1 ZINC000167032160 398003466 /nfs/dbraw/zinc/00/34/66/398003466.db2.gz CLUBDYUZMAJXBY-YUMQZZPRSA-N 0 3 233.764 3.087 20 0 BGADHN CO[C@H](C)CN[C@@H](C)c1ccc(Cl)s1 ZINC000167032255 174834698 /nfs/dbraw/zinc/83/46/98/174834698.db2.gz CLUBDYUZMAJXBY-SFYZADRCSA-N 0 3 233.764 3.087 20 0 BGADHN CO[C@@H](C)CN[C@H](C)c1ccc(Cl)s1 ZINC000167032365 398004213 /nfs/dbraw/zinc/00/42/13/398004213.db2.gz CLUBDYUZMAJXBY-JGVFFNPUSA-N 0 3 233.764 3.087 20 0 BGADHN CO[C@H](C)CN[C@H](C)c1ccc(Cl)s1 ZINC000167032466 398003972 /nfs/dbraw/zinc/00/39/72/398003972.db2.gz CLUBDYUZMAJXBY-HTQZYQBOSA-N 0 3 233.764 3.087 20 0 BGADHN CO[C@H](C)CN[C@H](C)c1cc(C)sc1C ZINC000167038382 398003701 /nfs/dbraw/zinc/00/37/01/398003701.db2.gz CALTULSMCUNLTO-PSASIEDQSA-N 0 3 227.373 3.050 20 0 BGADHN CO[C@H](C)CN[C@@H](C)c1cc(C)sc1C ZINC000167038479 398003621 /nfs/dbraw/zinc/00/36/21/398003621.db2.gz CALTULSMCUNLTO-SCZZXKLOSA-N 0 3 227.373 3.050 20 0 BGADHN CO[C@@H](C)CN[C@H](C)c1cc(C)sc1C ZINC000167038590 398003855 /nfs/dbraw/zinc/00/38/55/398003855.db2.gz CALTULSMCUNLTO-WCBMZHEXSA-N 0 3 227.373 3.050 20 0 BGADHN CO[C@@H](C)CN[C@@H](C)c1cc(C)sc1C ZINC000167038704 398003927 /nfs/dbraw/zinc/00/39/27/398003927.db2.gz CALTULSMCUNLTO-WPRPVWTQSA-N 0 3 227.373 3.050 20 0 BGADHN CC(C)CC1CCN(Cc2cccnc2)CC1 ZINC000167061981 643600542 /nfs/dbraw/zinc/60/05/42/643600542.db2.gz XNMXSRQSOTZHTQ-UHFFFAOYSA-N 0 3 232.371 3.340 20 0 BGADHN C[C@@H]1C[C@@H]1CNc1ccnc2ccccc21 ZINC000167096997 206145729 /nfs/dbraw/zinc/14/57/29/206145729.db2.gz YROPNZPKUJZBOD-GHMZBOCLSA-N 0 3 212.296 3.303 20 0 BGADHN C[C@H]1C[C@@H]1CNc1ccnc2ccccc21 ZINC000167097102 206145086 /nfs/dbraw/zinc/14/50/86/206145086.db2.gz YROPNZPKUJZBOD-WDEREUQCSA-N 0 3 212.296 3.303 20 0 BGADHN C[C@@H]1C[C@H]1CNc1ccnc2ccccc21 ZINC000167097206 206146388 /nfs/dbraw/zinc/14/63/88/206146388.db2.gz YROPNZPKUJZBOD-MNOVXSKESA-N 0 3 212.296 3.303 20 0 BGADHN C[C@H]1C[C@H]1CNc1ccnc2ccccc21 ZINC000167097310 206144913 /nfs/dbraw/zinc/14/49/13/206144913.db2.gz YROPNZPKUJZBOD-QWRGUYRKSA-N 0 3 212.296 3.303 20 0 BGADHN CCc1ccc([C@@H](C)NC[C@]2(C)CCCO2)o1 ZINC000167101991 355957295 /nfs/dbraw/zinc/95/72/95/355957295.db2.gz UTPRCWQKRUJFOI-RISCZKNCSA-N 0 3 237.343 3.062 20 0 BGADHN CCc1ccc([C@H](C)NC[C@]2(C)CCCO2)o1 ZINC000167102107 355956869 /nfs/dbraw/zinc/95/68/69/355956869.db2.gz UTPRCWQKRUJFOI-FZMZJTMJSA-N 0 3 237.343 3.062 20 0 BGADHN CCc1ccc([C@@H](C)NC[C@@]2(C)CCCO2)o1 ZINC000167102218 355957735 /nfs/dbraw/zinc/95/77/35/355957735.db2.gz UTPRCWQKRUJFOI-BXUZGUMPSA-N 0 3 237.343 3.062 20 0 BGADHN CCc1ccc([C@H](C)NC[C@@]2(C)CCCO2)o1 ZINC000167102318 355957774 /nfs/dbraw/zinc/95/77/74/355957774.db2.gz UTPRCWQKRUJFOI-SMDDNHRTSA-N 0 3 237.343 3.062 20 0 BGADHN COCC(C)(C)NCc1cccc(C(F)F)c1 ZINC000167261340 536795908 /nfs/dbraw/zinc/79/59/08/536795908.db2.gz IPWQSTZPBYSOMX-UHFFFAOYSA-N 0 3 243.297 3.139 20 0 BGADHN CCN1CCC(c2c(F)cccc2F)CC1 ZINC000167302580 385307496 /nfs/dbraw/zinc/30/74/96/385307496.db2.gz IPEPAWNELHBVIQ-UHFFFAOYSA-N 0 3 225.282 3.164 20 0 BGADHN Cc1cc([C@@H](C)NCCOCC(C)C)c(C)o1 ZINC000167319689 133969994 /nfs/dbraw/zinc/96/99/94/133969994.db2.gz NTJPAGFNQPZHEU-GFCCVEGCSA-N 0 3 239.359 3.220 20 0 BGADHN Cc1cc([C@H](C)NCCOCC(C)C)c(C)o1 ZINC000167319783 355990288 /nfs/dbraw/zinc/99/02/88/355990288.db2.gz NTJPAGFNQPZHEU-LBPRGKRZSA-N 0 3 239.359 3.220 20 0 BGADHN c1cc(CNCc2cccc3cnccc32)co1 ZINC000167380055 538940908 /nfs/dbraw/zinc/94/09/08/538940908.db2.gz UWZFMFBTSSPAEJ-UHFFFAOYSA-N 0 3 238.290 3.118 20 0 BGADHN Clc1cc2c(c(CNC3CC=CC3)c1)OCC2 ZINC000167400536 537948651 /nfs/dbraw/zinc/94/86/51/537948651.db2.gz ONPRNDMJGKTYNO-UHFFFAOYSA-N 0 3 249.741 3.083 20 0 BGADHN CCc1nc(CN[C@@H](C)CC2CCC2)cs1 ZINC000167454433 566436231 /nfs/dbraw/zinc/43/62/31/566436231.db2.gz NPJTVAQHEWXEOJ-JTQLQIEISA-N 0 3 238.400 3.374 20 0 BGADHN CCc1nc(CN[C@H](C)CC2CCC2)cs1 ZINC000167454541 538941864 /nfs/dbraw/zinc/94/18/64/538941864.db2.gz NPJTVAQHEWXEOJ-SNVBAGLBSA-N 0 3 238.400 3.374 20 0 BGADHN CC[C@H](N[C@@H](C)c1csc(C)n1)C1CC1 ZINC000167459869 361865813 /nfs/dbraw/zinc/86/58/13/361865813.db2.gz LCIUSLLBXWHPTL-KWQFWETISA-N 0 3 224.373 3.291 20 0 BGADHN CC[C@@H](N[C@@H](C)c1csc(C)n1)C1CC1 ZINC000167459964 361866340 /nfs/dbraw/zinc/86/63/40/361866340.db2.gz LCIUSLLBXWHPTL-GZMMTYOYSA-N 0 3 224.373 3.291 20 0 BGADHN CC[C@H](N[C@H](C)c1csc(C)n1)C1CC1 ZINC000167460042 388256265 /nfs/dbraw/zinc/25/62/65/388256265.db2.gz LCIUSLLBXWHPTL-KCJUWKMLSA-N 0 3 224.373 3.291 20 0 BGADHN CC[C@@H](N[C@H](C)c1csc(C)n1)C1CC1 ZINC000167460158 535808644 /nfs/dbraw/zinc/80/86/44/535808644.db2.gz LCIUSLLBXWHPTL-LDYMZIIASA-N 0 3 224.373 3.291 20 0 BGADHN Cc1ccc([C@@H](C)NCCOCC2CC2)s1 ZINC000167462267 385319377 /nfs/dbraw/zinc/31/93/77/385319377.db2.gz PLCISQNJDGCUDU-LLVKDONJSA-N 0 3 239.384 3.134 20 0 BGADHN Cc1ccc([C@H](C)NCCOCC2CC2)s1 ZINC000167462370 385317921 /nfs/dbraw/zinc/31/79/21/385317921.db2.gz PLCISQNJDGCUDU-NSHDSACASA-N 0 3 239.384 3.134 20 0 BGADHN CC[C@H](NCCOCC1CC1)c1cccs1 ZINC000167465220 206144226 /nfs/dbraw/zinc/14/42/26/206144226.db2.gz HQMUVHBTLMERKR-LBPRGKRZSA-N 0 3 239.384 3.215 20 0 BGADHN CC[C@@H](NCCOCC1CC1)c1cccs1 ZINC000167465325 206144356 /nfs/dbraw/zinc/14/43/56/206144356.db2.gz HQMUVHBTLMERKR-GFCCVEGCSA-N 0 3 239.384 3.215 20 0 BGADHN Cc1ccsc1[C@@H](C)NCCOCC1CC1 ZINC000167465683 385319420 /nfs/dbraw/zinc/31/94/20/385319420.db2.gz LMZALINHUHXNLN-LLVKDONJSA-N 0 3 239.384 3.134 20 0 BGADHN Cc1ccsc1[C@H](C)NCCOCC1CC1 ZINC000167465786 385318807 /nfs/dbraw/zinc/31/88/07/385318807.db2.gz LMZALINHUHXNLN-NSHDSACASA-N 0 3 239.384 3.134 20 0 BGADHN CCC(CC)[C@H](O)CN[C@@H](C)c1ccsc1 ZINC000167510005 385320613 /nfs/dbraw/zinc/32/06/13/385320613.db2.gz SAXDVRJWAARTII-GXFFZTMASA-N 0 3 241.400 3.196 20 0 BGADHN CCC(CC)[C@@H](O)CN[C@@H](C)c1ccsc1 ZINC000167510117 385320912 /nfs/dbraw/zinc/32/09/12/385320912.db2.gz SAXDVRJWAARTII-GWCFXTLKSA-N 0 3 241.400 3.196 20 0 BGADHN CCC(CC)[C@H](O)CN[C@H](C)c1ccsc1 ZINC000167510227 385320418 /nfs/dbraw/zinc/32/04/18/385320418.db2.gz SAXDVRJWAARTII-ZWNOBZJWSA-N 0 3 241.400 3.196 20 0 BGADHN CCC(CC)[C@@H](O)CN[C@H](C)c1ccsc1 ZINC000167510328 385321267 /nfs/dbraw/zinc/32/12/67/385321267.db2.gz SAXDVRJWAARTII-MFKMUULPSA-N 0 3 241.400 3.196 20 0 BGADHN C[C@@H](Cc1ccccc1F)NCc1ccoc1 ZINC000167522026 385323500 /nfs/dbraw/zinc/32/35/00/385323500.db2.gz VWAOXBGCIIILQA-NSHDSACASA-N 0 3 233.286 3.140 20 0 BGADHN C[C@H](Cc1ccccc1F)NCc1ccoc1 ZINC000167522150 385323172 /nfs/dbraw/zinc/32/31/72/385323172.db2.gz VWAOXBGCIIILQA-LLVKDONJSA-N 0 3 233.286 3.140 20 0 BGADHN Clc1ccc(/C=C/CN2CCCC2)cc1 ZINC000167590022 364798046 /nfs/dbraw/zinc/79/80/46/364798046.db2.gz OAZYARYAIYTHJU-ONEGZZNKSA-N 0 3 221.731 3.449 20 0 BGADHN CC[C@@H](C)[C@@H](C)NCc1cc(C(C)C)no1 ZINC000167734219 538944669 /nfs/dbraw/zinc/94/46/69/538944669.db2.gz AZSLRKWEFWZANB-GHMZBOCLSA-N 0 3 224.348 3.322 20 0 BGADHN CC[C@H](C)[C@@H](C)NCc1cc(C(C)C)no1 ZINC000167734331 538944526 /nfs/dbraw/zinc/94/45/26/538944526.db2.gz AZSLRKWEFWZANB-WDEREUQCSA-N 0 3 224.348 3.322 20 0 BGADHN CC[C@@H](C)[C@H](C)NCc1cc(C(C)C)no1 ZINC000167734437 538944328 /nfs/dbraw/zinc/94/43/28/538944328.db2.gz AZSLRKWEFWZANB-MNOVXSKESA-N 0 3 224.348 3.322 20 0 BGADHN CC[C@H](C)[C@H](C)NCc1cc(C(C)C)no1 ZINC000167734543 538944741 /nfs/dbraw/zinc/94/47/41/538944741.db2.gz AZSLRKWEFWZANB-QWRGUYRKSA-N 0 3 224.348 3.322 20 0 BGADHN CC[C@H](NCc1cc(C(C)C)no1)C(C)C ZINC000167736219 538944567 /nfs/dbraw/zinc/94/45/67/538944567.db2.gz FJYICGUCNGODBN-LBPRGKRZSA-N 0 3 224.348 3.322 20 0 BGADHN CC[C@@H](NCc1cc(C(C)C)no1)C(C)C ZINC000167736329 538944554 /nfs/dbraw/zinc/94/45/54/538944554.db2.gz FJYICGUCNGODBN-GFCCVEGCSA-N 0 3 224.348 3.322 20 0 BGADHN CC(C)c1cc(CN[C@@H](C)C(C)(C)C)on1 ZINC000167737326 537810321 /nfs/dbraw/zinc/81/03/21/537810321.db2.gz FERKKPNILJXBJO-JTQLQIEISA-N 0 3 224.348 3.322 20 0 BGADHN CC(C)c1cc(CN[C@H](C)C(C)(C)C)on1 ZINC000167737447 537810444 /nfs/dbraw/zinc/81/04/44/537810444.db2.gz FERKKPNILJXBJO-SNVBAGLBSA-N 0 3 224.348 3.322 20 0 BGADHN CC[C@H](NCc1cc(C(C)C)no1)C1CC1 ZINC000167738367 538944500 /nfs/dbraw/zinc/94/45/00/538944500.db2.gz KBQDWNAYCIMCAW-LBPRGKRZSA-N 0 3 222.332 3.076 20 0 BGADHN CC[C@@H](NCc1cc(C(C)C)no1)C1CC1 ZINC000167738458 538944424 /nfs/dbraw/zinc/94/44/24/538944424.db2.gz KBQDWNAYCIMCAW-GFCCVEGCSA-N 0 3 222.332 3.076 20 0 BGADHN C[C@H](NC[C@H](O)CC(C)(C)C)c1ccsc1 ZINC000167854220 176866330 /nfs/dbraw/zinc/86/63/30/176866330.db2.gz AQJGUIFCLQWMIF-CMPLNLGQSA-N 0 3 241.400 3.196 20 0 BGADHN C[C@@H](NC[C@H](O)CC(C)(C)C)c1ccsc1 ZINC000167854329 385337335 /nfs/dbraw/zinc/33/73/35/385337335.db2.gz AQJGUIFCLQWMIF-ZYHUDNBSSA-N 0 3 241.400 3.196 20 0 BGADHN C[C@H](NC[C@@H](O)CC(C)(C)C)c1ccsc1 ZINC000167854425 385337651 /nfs/dbraw/zinc/33/76/51/385337651.db2.gz AQJGUIFCLQWMIF-JQWIXIFHSA-N 0 3 241.400 3.196 20 0 BGADHN C[C@@H](NC[C@@H](O)CC(C)(C)C)c1ccsc1 ZINC000167854522 385338428 /nfs/dbraw/zinc/33/84/28/385338428.db2.gz AQJGUIFCLQWMIF-PWSUYJOCSA-N 0 3 241.400 3.196 20 0 BGADHN CCCC[C@@H](COC)N[C@@H](C)c1ccoc1 ZINC000167888521 364818890 /nfs/dbraw/zinc/81/88/90/364818890.db2.gz PCPGMWQCUWEXQB-AAEUAGOBSA-N 0 3 225.332 3.135 20 0 BGADHN CCCC[C@H](COC)N[C@@H](C)c1ccoc1 ZINC000167888627 364818851 /nfs/dbraw/zinc/81/88/51/364818851.db2.gz PCPGMWQCUWEXQB-WCQYABFASA-N 0 3 225.332 3.135 20 0 BGADHN CCCC[C@@H](COC)N[C@H](C)c1ccoc1 ZINC000167888745 346719919 /nfs/dbraw/zinc/71/99/19/346719919.db2.gz PCPGMWQCUWEXQB-YPMHNXCESA-N 0 3 225.332 3.135 20 0 BGADHN CCCC[C@H](COC)N[C@H](C)c1ccoc1 ZINC000167888851 364818290 /nfs/dbraw/zinc/81/82/90/364818290.db2.gz PCPGMWQCUWEXQB-DGCLKSJQSA-N 0 3 225.332 3.135 20 0 BGADHN CSC[C@H](C)N[C@@H](C)c1cccnc1Cl ZINC000167895658 388256606 /nfs/dbraw/zinc/25/66/06/388256606.db2.gz AAICXGZQSKUZJE-IUCAKERBSA-N 0 3 244.791 3.137 20 0 BGADHN CSC[C@@H](C)N[C@@H](C)c1cccnc1Cl ZINC000167895773 386703775 /nfs/dbraw/zinc/70/37/75/386703775.db2.gz AAICXGZQSKUZJE-BDAKNGLRSA-N 0 3 244.791 3.137 20 0 BGADHN CSC[C@H](C)N[C@H](C)c1cccnc1Cl ZINC000167895877 388256487 /nfs/dbraw/zinc/25/64/87/388256487.db2.gz AAICXGZQSKUZJE-DTWKUNHWSA-N 0 3 244.791 3.137 20 0 BGADHN CSC[C@@H](C)N[C@H](C)c1cccnc1Cl ZINC000167895970 388256436 /nfs/dbraw/zinc/25/64/36/388256436.db2.gz AAICXGZQSKUZJE-RKDXNWHRSA-N 0 3 244.791 3.137 20 0 BGADHN CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc([O-])c(F)c1 ZINC000167962966 711831046 /nfs/dbraw/zinc/83/10/46/711831046.db2.gz BVHCVZWONOESFZ-NXEZZACHSA-N 0 3 225.307 3.056 20 0 BGADHN CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc([O-])c(F)c1 ZINC000167963068 171365667 /nfs/dbraw/zinc/36/56/67/171365667.db2.gz BVHCVZWONOESFZ-VHSXEESVSA-N 0 3 225.307 3.056 20 0 BGADHN CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc([O-])c(F)c1 ZINC000167963179 711831101 /nfs/dbraw/zinc/83/11/01/711831101.db2.gz BVHCVZWONOESFZ-ZJUUUORDSA-N 0 3 225.307 3.056 20 0 BGADHN CC[C@H](C)[C@H](C)[NH2+]Cc1ccc([O-])c(F)c1 ZINC000167963296 171389737 /nfs/dbraw/zinc/38/97/37/171389737.db2.gz BVHCVZWONOESFZ-UWVGGRQHSA-N 0 3 225.307 3.056 20 0 BGADHN C[C@@H]([NH2+]Cc1ccc([O-])c(F)c1)C(C)(C)C ZINC000167964789 633136186 /nfs/dbraw/zinc/13/61/86/633136186.db2.gz DHPJSRPPCIVEEO-SECBINFHSA-N 0 3 225.307 3.056 20 0 BGADHN Fc1cc(CN2CCCC2)ccc1OC(F)F ZINC000167997497 385344791 /nfs/dbraw/zinc/34/47/91/385344791.db2.gz FBPNGJXNSUZFKK-UHFFFAOYSA-N 0 3 245.244 3.023 20 0 BGADHN CCn1nc(CNC2(C)CCC2)c2ccccc21 ZINC000168057341 385346649 /nfs/dbraw/zinc/34/66/49/385346649.db2.gz UWRQMTPMVVLJPO-UHFFFAOYSA-N 0 3 243.354 3.088 20 0 BGADHN C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](Cc2ccc([O-])cc2)C1 ZINC000168242071 538945317 /nfs/dbraw/zinc/94/53/17/538945317.db2.gz TXAXOVRCFQVQNK-AGIUHOORSA-N 0 3 233.355 3.259 20 0 BGADHN C[C@@H]1C[C@H](C)[C@H](C)[N@H+](Cc2ccc([O-])cc2)C1 ZINC000168242071 538945316 /nfs/dbraw/zinc/94/53/16/538945316.db2.gz TXAXOVRCFQVQNK-AGIUHOORSA-N 0 3 233.355 3.259 20 0 BGADHN C[C@@H]1C[C@@H](C)[C@H](C)[N@@H+](Cc2ccc([O-])cc2)C1 ZINC000168242265 538945289 /nfs/dbraw/zinc/94/52/89/538945289.db2.gz TXAXOVRCFQVQNK-UPJWGTAASA-N 0 3 233.355 3.259 20 0 BGADHN C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](Cc2ccc([O-])cc2)C1 ZINC000168242265 538945288 /nfs/dbraw/zinc/94/52/88/538945288.db2.gz TXAXOVRCFQVQNK-UPJWGTAASA-N 0 3 233.355 3.259 20 0 BGADHN C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](Cc2cccc([O-])c2)C1 ZINC000168247625 134161062 /nfs/dbraw/zinc/16/10/62/134161062.db2.gz ROJITRPVVMRMMQ-AGIUHOORSA-N 0 3 233.355 3.259 20 0 BGADHN C[C@@H]1C[C@H](C)[C@H](C)[N@H+](Cc2cccc([O-])c2)C1 ZINC000168247625 134161061 /nfs/dbraw/zinc/16/10/61/134161061.db2.gz ROJITRPVVMRMMQ-AGIUHOORSA-N 0 3 233.355 3.259 20 0 BGADHN C[C@@H]1C[C@@H](C)[C@H](C)[N@@H+](Cc2cccc([O-])c2)C1 ZINC000168247780 134161147 /nfs/dbraw/zinc/16/11/47/134161147.db2.gz ROJITRPVVMRMMQ-UPJWGTAASA-N 0 3 233.355 3.259 20 0 BGADHN C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](Cc2cccc([O-])c2)C1 ZINC000168247780 134161146 /nfs/dbraw/zinc/16/11/46/134161146.db2.gz ROJITRPVVMRMMQ-UPJWGTAASA-N 0 3 233.355 3.259 20 0 BGADHN CC1(C)C[C@@H]1NCc1cc(F)cc(Cl)c1 ZINC000168257513 134161135 /nfs/dbraw/zinc/16/11/35/134161135.db2.gz UZSSOCPURGYHTL-NSHDSACASA-N 0 3 227.710 3.367 20 0 BGADHN CC1(C)C[C@H]1NCc1cc(F)cc(Cl)c1 ZINC000168257634 534931761 /nfs/dbraw/zinc/93/17/61/534931761.db2.gz UZSSOCPURGYHTL-LLVKDONJSA-N 0 3 227.710 3.367 20 0 BGADHN Fc1cc(Cl)cc(CNC2CCC2)c1 ZINC000168258358 386696374 /nfs/dbraw/zinc/69/63/74/386696374.db2.gz YIFPTRQWMYZUAM-UHFFFAOYSA-N 0 3 213.683 3.121 20 0 BGADHN CS[C@@H](C)CNCc1cc(F)cc(Cl)c1 ZINC000168270599 385332452 /nfs/dbraw/zinc/33/24/52/385332452.db2.gz QZPRNWDJSZNHKI-QMMMGPOBSA-N 0 3 247.766 3.320 20 0 BGADHN CS[C@H](C)CNCc1cc(F)cc(Cl)c1 ZINC000168270668 385331628 /nfs/dbraw/zinc/33/16/28/385331628.db2.gz QZPRNWDJSZNHKI-MRVPVSSYSA-N 0 3 247.766 3.320 20 0 BGADHN CSC[C@H](C)NCc1cc(F)cc(Cl)c1 ZINC000168271296 134162071 /nfs/dbraw/zinc/16/20/71/134162071.db2.gz DJNSGVWYMXRVCH-QMMMGPOBSA-N 0 3 247.766 3.320 20 0 BGADHN CSC[C@@H](C)NCc1cc(F)cc(Cl)c1 ZINC000168271408 134162148 /nfs/dbraw/zinc/16/21/48/134162148.db2.gz DJNSGVWYMXRVCH-MRVPVSSYSA-N 0 3 247.766 3.320 20 0 BGADHN COC(C)(C)C[C@H](C)N[C@@H](C)c1ccoc1 ZINC000168324005 364910614 /nfs/dbraw/zinc/91/06/14/364910614.db2.gz RIKGLLITOKCCQT-QWRGUYRKSA-N 0 3 225.332 3.134 20 0 BGADHN COC(C)(C)C[C@@H](C)N[C@@H](C)c1ccoc1 ZINC000168324112 364911112 /nfs/dbraw/zinc/91/11/12/364911112.db2.gz RIKGLLITOKCCQT-MNOVXSKESA-N 0 3 225.332 3.134 20 0 BGADHN COC(C)(C)C[C@H](C)N[C@H](C)c1ccoc1 ZINC000168324220 364911134 /nfs/dbraw/zinc/91/11/34/364911134.db2.gz RIKGLLITOKCCQT-WDEREUQCSA-N 0 3 225.332 3.134 20 0 BGADHN COC(C)(C)C[C@@H](C)N[C@H](C)c1ccoc1 ZINC000168324328 364910922 /nfs/dbraw/zinc/91/09/22/364910922.db2.gz RIKGLLITOKCCQT-GHMZBOCLSA-N 0 3 225.332 3.134 20 0 BGADHN Cc1cnc(CN[C@@H](C)CC2CCC2)s1 ZINC000168353561 538945181 /nfs/dbraw/zinc/94/51/81/538945181.db2.gz YZDLFPYFZXWSRN-VIFPVBQESA-N 0 3 224.373 3.120 20 0 BGADHN Cc1cnc(CN[C@H](C)CC2CCC2)s1 ZINC000168353656 538945308 /nfs/dbraw/zinc/94/53/08/538945308.db2.gz YZDLFPYFZXWSRN-SECBINFHSA-N 0 3 224.373 3.120 20 0 BGADHN Cc1cnc(CN[C@@H]2CCCC2(C)C)s1 ZINC000168357248 385362123 /nfs/dbraw/zinc/36/21/23/385362123.db2.gz IWWYIBXGVMJEJY-SNVBAGLBSA-N 0 3 224.373 3.120 20 0 BGADHN Cc1cnc(CN[C@H]2CCCC2(C)C)s1 ZINC000168357366 385362164 /nfs/dbraw/zinc/36/21/64/385362164.db2.gz IWWYIBXGVMJEJY-JTQLQIEISA-N 0 3 224.373 3.120 20 0 BGADHN CC[C@@H]1CCC[C@@H]1NCc1ncc(C)s1 ZINC000168357555 385363487 /nfs/dbraw/zinc/36/34/87/385363487.db2.gz KVJUTPBOJMFLGX-MNOVXSKESA-N 0 3 224.373 3.120 20 0 BGADHN CC[C@H]1CCC[C@@H]1NCc1ncc(C)s1 ZINC000168357651 385361705 /nfs/dbraw/zinc/36/17/05/385361705.db2.gz KVJUTPBOJMFLGX-QWRGUYRKSA-N 0 3 224.373 3.120 20 0 BGADHN CC[C@@H]1CCC[C@H]1NCc1ncc(C)s1 ZINC000168357760 171001079 /nfs/dbraw/zinc/00/10/79/171001079.db2.gz KVJUTPBOJMFLGX-GHMZBOCLSA-N 0 3 224.373 3.120 20 0 BGADHN CC[C@H]1CCC[C@H]1NCc1ncc(C)s1 ZINC000168357860 187380176 /nfs/dbraw/zinc/38/01/76/187380176.db2.gz KVJUTPBOJMFLGX-WDEREUQCSA-N 0 3 224.373 3.120 20 0 BGADHN CCc1cnc(CN[C@@H](C)CC2CCC2)s1 ZINC000168408436 541306154 /nfs/dbraw/zinc/30/61/54/541306154.db2.gz RMZDTVFYQUOPFI-JTQLQIEISA-N 0 3 238.400 3.374 20 0 BGADHN CCc1cnc(CN[C@H](C)CC2CCC2)s1 ZINC000168408541 541306140 /nfs/dbraw/zinc/30/61/40/541306140.db2.gz RMZDTVFYQUOPFI-SNVBAGLBSA-N 0 3 238.400 3.374 20 0 BGADHN CCc1cnc(CN[C@@H]2CCCC2(C)C)s1 ZINC000168410450 536052823 /nfs/dbraw/zinc/05/28/23/536052823.db2.gz MAFPZHMHMMRCNA-LLVKDONJSA-N 0 3 238.400 3.374 20 0 BGADHN CCc1cnc(CN[C@H]2CCCC2(C)C)s1 ZINC000168410553 536054433 /nfs/dbraw/zinc/05/44/33/536054433.db2.gz MAFPZHMHMMRCNA-NSHDSACASA-N 0 3 238.400 3.374 20 0 BGADHN CCc1cnc(CN[C@@H]2CCC[C@@H]2CC)s1 ZINC000168410675 536051884 /nfs/dbraw/zinc/05/18/84/536051884.db2.gz UMOROVJSWSNEBY-CMPLNLGQSA-N 0 3 238.400 3.374 20 0 BGADHN CCc1cnc(CN[C@H]2CCC[C@@H]2CC)s1 ZINC000168410778 536053575 /nfs/dbraw/zinc/05/35/75/536053575.db2.gz UMOROVJSWSNEBY-JQWIXIFHSA-N 0 3 238.400 3.374 20 0 BGADHN CCc1cnc(CN[C@@H]2CCC[C@H]2CC)s1 ZINC000168410860 536052371 /nfs/dbraw/zinc/05/23/71/536052371.db2.gz UMOROVJSWSNEBY-ZYHUDNBSSA-N 0 3 238.400 3.374 20 0 BGADHN CCc1cnc(CN[C@H]2CCC[C@H]2CC)s1 ZINC000168410968 536054396 /nfs/dbraw/zinc/05/43/96/536054396.db2.gz UMOROVJSWSNEBY-PWSUYJOCSA-N 0 3 238.400 3.374 20 0 BGADHN CC(C)n1ccc(CN[C@@H]2CCC(C)(C)C2)n1 ZINC000168445257 364937002 /nfs/dbraw/zinc/93/70/02/364937002.db2.gz KVZUIHJYYOWOMJ-GFCCVEGCSA-N 0 3 235.375 3.132 20 0 BGADHN CC(C)n1ccc(CN[C@H]2CCC(C)(C)C2)n1 ZINC000168445348 364936744 /nfs/dbraw/zinc/93/67/44/364936744.db2.gz KVZUIHJYYOWOMJ-LBPRGKRZSA-N 0 3 235.375 3.132 20 0 BGADHN Cc1cc(NCCOC(C)C)c2ccccc2n1 ZINC000168651446 134238947 /nfs/dbraw/zinc/23/89/47/134238947.db2.gz IJWHGPJPWJNHIU-UHFFFAOYSA-N 0 3 244.338 3.380 20 0 BGADHN CC(C)OCCNc1ccnc2ccccc21 ZINC000168656764 167245687 /nfs/dbraw/zinc/24/56/87/167245687.db2.gz FPDYNNRPNSTRRG-UHFFFAOYSA-N 0 3 230.311 3.072 20 0 BGADHN CC[C@H](O)CN[C@@H](C)c1oc2ccccc2c1C ZINC000168688738 387643762 /nfs/dbraw/zinc/64/37/62/387643762.db2.gz PKZQYOUSHRZAGG-RYUDHWBXSA-N 0 3 247.338 3.163 20 0 BGADHN CC[C@@H](O)CN[C@@H](C)c1oc2ccccc2c1C ZINC000168688826 535814189 /nfs/dbraw/zinc/81/41/89/535814189.db2.gz PKZQYOUSHRZAGG-NWDGAFQWSA-N 0 3 247.338 3.163 20 0 BGADHN CC[C@H](O)CN[C@H](C)c1oc2ccccc2c1C ZINC000168688924 387636300 /nfs/dbraw/zinc/63/63/00/387636300.db2.gz PKZQYOUSHRZAGG-NEPJUHHUSA-N 0 3 247.338 3.163 20 0 BGADHN CC[C@@H](O)CN[C@H](C)c1oc2ccccc2c1C ZINC000168689011 134242170 /nfs/dbraw/zinc/24/21/70/134242170.db2.gz PKZQYOUSHRZAGG-VXGBXAGGSA-N 0 3 247.338 3.163 20 0 BGADHN C[C@@H](CN(C)C)N[C@@H](C)c1cc2ccccc2o1 ZINC000168760490 385385943 /nfs/dbraw/zinc/38/59/43/385385943.db2.gz JVBIOQCIPCAXGY-RYUDHWBXSA-N 0 3 246.354 3.034 20 0 BGADHN C[C@H](CN(C)C)N[C@@H](C)c1cc2ccccc2o1 ZINC000168760591 134247871 /nfs/dbraw/zinc/24/78/71/134247871.db2.gz JVBIOQCIPCAXGY-NEPJUHHUSA-N 0 3 246.354 3.034 20 0 BGADHN C[C@@H](N[C@@H](C)CN(C)C)c1cc2ccccc2o1 ZINC000168760680 385384665 /nfs/dbraw/zinc/38/46/65/385384665.db2.gz JVBIOQCIPCAXGY-NWDGAFQWSA-N 0 3 246.354 3.034 20 0 BGADHN C[C@H](CN(C)C)N[C@H](C)c1cc2ccccc2o1 ZINC000168760766 134247940 /nfs/dbraw/zinc/24/79/40/134247940.db2.gz JVBIOQCIPCAXGY-VXGBXAGGSA-N 0 3 246.354 3.034 20 0 BGADHN CC1CCN(c2ccnc3ccccc32)CC1 ZINC000168831824 345723748 /nfs/dbraw/zinc/72/37/48/345723748.db2.gz HZYNRBBSIZQFHJ-UHFFFAOYSA-N 0 3 226.323 3.471 20 0 BGADHN CCCCCN(C)Cc1cccc(O)c1 ZINC000168856846 365020729 /nfs/dbraw/zinc/02/07/29/365020729.db2.gz BFEXTZXPVROAPR-UHFFFAOYSA-N 0 3 207.317 3.014 20 0 BGADHN CC[C@H](NCCOC(C)C)c1ccc(F)cc1 ZINC000168874944 387797114 /nfs/dbraw/zinc/79/71/14/387797114.db2.gz GNZWREOCZNYAFQ-AWEZNQCLSA-N 0 3 239.334 3.291 20 0 BGADHN CC[C@@H](NCCOC(C)C)c1ccc(F)cc1 ZINC000168875038 387797096 /nfs/dbraw/zinc/79/70/96/387797096.db2.gz GNZWREOCZNYAFQ-CQSZACIVSA-N 0 3 239.334 3.291 20 0 BGADHN CC(C)OCCN[C@@H](C)c1cc(F)cc(F)c1 ZINC000168885133 167245325 /nfs/dbraw/zinc/24/53/25/167245325.db2.gz KNHFEVRPZKEMAL-JTQLQIEISA-N 0 3 243.297 3.040 20 0 BGADHN CC(C)OCCN[C@H](C)c1cc(F)cc(F)c1 ZINC000168885213 167243677 /nfs/dbraw/zinc/24/36/77/167243677.db2.gz KNHFEVRPZKEMAL-SNVBAGLBSA-N 0 3 243.297 3.040 20 0 BGADHN CC[C@H](NCCOC(C)C)c1ccccc1F ZINC000168889042 385391936 /nfs/dbraw/zinc/39/19/36/385391936.db2.gz UNGUKVVNDOIUHY-AWEZNQCLSA-N 0 3 239.334 3.291 20 0 BGADHN CC[C@@H](NCCOC(C)C)c1ccccc1F ZINC000168889125 170895443 /nfs/dbraw/zinc/89/54/43/170895443.db2.gz UNGUKVVNDOIUHY-CQSZACIVSA-N 0 3 239.334 3.291 20 0 BGADHN CCCC(C)(C)NCc1cnc2ccccc2n1 ZINC000168916684 487552524 /nfs/dbraw/zinc/55/25/24/487552524.db2.gz HNROEFFRVYJPAG-UHFFFAOYSA-N 0 3 243.354 3.298 20 0 BGADHN CC(C)OCCNCc1ccccc1C1CC1 ZINC000168948744 538946060 /nfs/dbraw/zinc/94/60/60/538946060.db2.gz GHARXAICLYXBCJ-UHFFFAOYSA-N 0 3 233.355 3.079 20 0 BGADHN CC(C)OCCNCc1csc2ccccc12 ZINC000168951791 167241120 /nfs/dbraw/zinc/24/11/20/167241120.db2.gz IAKVOJBYUDAYOX-UHFFFAOYSA-N 0 3 249.379 3.416 20 0 BGADHN CC(C)OCCNCc1ccc2ccccc2c1 ZINC000168952699 134248726 /nfs/dbraw/zinc/24/87/26/134248726.db2.gz YWWXOWSMFKETFK-UHFFFAOYSA-N 0 3 243.350 3.354 20 0 BGADHN Cc1oc2ccccc2c1CNCCOC(C)C ZINC000168955842 385394990 /nfs/dbraw/zinc/39/49/90/385394990.db2.gz MVMIKMUAXPIJQX-UHFFFAOYSA-N 0 3 247.338 3.256 20 0 BGADHN Cc1cc(C)c(CNCCOC(C)C)c(C)c1 ZINC000168957863 385394830 /nfs/dbraw/zinc/39/48/30/385394830.db2.gz LWWVNWDYBKZXKR-UHFFFAOYSA-N 0 3 235.371 3.126 20 0 BGADHN Cc1cc(C)c(CNCCOC(C)C)cc1C ZINC000168959354 385394913 /nfs/dbraw/zinc/39/49/13/385394913.db2.gz NENYZNLQWOLHSZ-UHFFFAOYSA-N 0 3 235.371 3.126 20 0 BGADHN CC(C)Cc1ccc(CNCCOC(C)C)cc1 ZINC000168959662 384371960 /nfs/dbraw/zinc/37/19/60/384371960.db2.gz QSTUSYVFOLCAIO-UHFFFAOYSA-N 0 3 249.398 3.400 20 0 BGADHN CCN[C@@H](C)c1ccc(Cl)cc1OC ZINC000169088393 170142291 /nfs/dbraw/zinc/14/22/91/170142291.db2.gz HBWRCGHOJWNTAX-QMMMGPOBSA-N 0 3 213.708 3.019 20 0 BGADHN CCN[C@H](C)c1ccc(Cl)cc1OC ZINC000169088476 535516952 /nfs/dbraw/zinc/51/69/52/535516952.db2.gz HBWRCGHOJWNTAX-MRVPVSSYSA-N 0 3 213.708 3.019 20 0 BGADHN CS[C@H](C)CN[C@H](C)c1cc(C)oc1C ZINC000169089282 175563895 /nfs/dbraw/zinc/56/38/95/175563895.db2.gz VTVGLXJEZZLVMA-NXEZZACHSA-N 0 3 227.373 3.299 20 0 BGADHN CS[C@H](C)CN[C@@H](C)c1cc(C)oc1C ZINC000169089368 384409084 /nfs/dbraw/zinc/40/90/84/384409084.db2.gz VTVGLXJEZZLVMA-ZJUUUORDSA-N 0 3 227.373 3.299 20 0 BGADHN CS[C@@H](C)CN[C@H](C)c1cc(C)oc1C ZINC000169089452 384408629 /nfs/dbraw/zinc/40/86/29/384408629.db2.gz VTVGLXJEZZLVMA-VHSXEESVSA-N 0 3 227.373 3.299 20 0 BGADHN CS[C@@H](C)CN[C@@H](C)c1cc(C)oc1C ZINC000169089533 384409752 /nfs/dbraw/zinc/40/97/52/384409752.db2.gz VTVGLXJEZZLVMA-UWVGGRQHSA-N 0 3 227.373 3.299 20 0 BGADHN CS[C@@H](C)CNCc1cc(Cl)cs1 ZINC000169101150 384412317 /nfs/dbraw/zinc/41/23/17/384412317.db2.gz BEOAHFNQHVXJRN-ZETCQYMHSA-N 0 3 235.805 3.243 20 0 BGADHN CS[C@H](C)CNCc1cc(Cl)cs1 ZINC000169101229 384412670 /nfs/dbraw/zinc/41/26/70/384412670.db2.gz BEOAHFNQHVXJRN-SSDOTTSWSA-N 0 3 235.805 3.243 20 0 BGADHN CCCN[C@@H](C)c1ccc(Cl)cc1OC ZINC000169157179 384427276 /nfs/dbraw/zinc/42/72/76/384427276.db2.gz HWBJXXZMZRRURT-VIFPVBQESA-N 0 3 227.735 3.409 20 0 BGADHN CCCN[C@H](C)c1ccc(Cl)cc1OC ZINC000169157260 384428297 /nfs/dbraw/zinc/42/82/97/384428297.db2.gz HWBJXXZMZRRURT-SECBINFHSA-N 0 3 227.735 3.409 20 0 BGADHN FCCCN(Cc1ccc(F)cc1)C1CC1 ZINC000169192627 397810664 /nfs/dbraw/zinc/81/06/64/397810664.db2.gz URNHPGRXPQSYDT-UHFFFAOYSA-N 0 3 225.282 3.150 20 0 BGADHN CN(CCCF)CCOc1cccc(Cl)c1 ZINC000169195722 397810629 /nfs/dbraw/zinc/81/06/29/397810629.db2.gz MZDVQYVHLDFKRJ-UHFFFAOYSA-N 0 3 245.725 3.010 20 0 BGADHN CC1(C)C[C@@H]1N[C@@H]1CCCc2occc21 ZINC000169208470 134249991 /nfs/dbraw/zinc/24/99/91/134249991.db2.gz ZFSQGYXFWYNBNH-PWSUYJOCSA-N 0 3 205.301 3.045 20 0 BGADHN CC1(C)C[C@H]1N[C@@H]1CCCc2occc21 ZINC000169208550 534932159 /nfs/dbraw/zinc/93/21/59/534932159.db2.gz ZFSQGYXFWYNBNH-ZYHUDNBSSA-N 0 3 205.301 3.045 20 0 BGADHN CC1(C)C[C@@H]1N[C@H]1CCCc2occc21 ZINC000169208624 134250048 /nfs/dbraw/zinc/25/00/48/134250048.db2.gz ZFSQGYXFWYNBNH-JQWIXIFHSA-N 0 3 205.301 3.045 20 0 BGADHN CC1(C)C[C@H]1N[C@H]1CCCc2occc21 ZINC000169208709 534932329 /nfs/dbraw/zinc/93/23/29/534932329.db2.gz ZFSQGYXFWYNBNH-CMPLNLGQSA-N 0 3 205.301 3.045 20 0 BGADHN FC(F)(F)CCN[C@@H]1CCCc2occc21 ZINC000169211221 134250090 /nfs/dbraw/zinc/25/00/90/134250090.db2.gz BXEXZJNGHJPDBV-SECBINFHSA-N 0 3 233.233 3.199 20 0 BGADHN FC(F)(F)CCN[C@H]1CCCc2occc21 ZINC000169211310 134250160 /nfs/dbraw/zinc/25/01/60/134250160.db2.gz BXEXZJNGHJPDBV-VIFPVBQESA-N 0 3 233.233 3.199 20 0 BGADHN c1cc2c(o1)CCC[C@H]2NC[C@@H]1CCCS1 ZINC000169219631 134249933 /nfs/dbraw/zinc/24/99/33/134249933.db2.gz IFXANAHLCKHWKE-CMPLNLGQSA-N 0 3 237.368 3.142 20 0 BGADHN c1cc2c(o1)CCC[C@@H]2NC[C@@H]1CCCS1 ZINC000169219703 134250289 /nfs/dbraw/zinc/25/02/89/134250289.db2.gz IFXANAHLCKHWKE-JQWIXIFHSA-N 0 3 237.368 3.142 20 0 BGADHN c1cc2c(o1)CCC[C@H]2NC[C@H]1CCCS1 ZINC000169219785 134250119 /nfs/dbraw/zinc/25/01/19/134250119.db2.gz IFXANAHLCKHWKE-ZYHUDNBSSA-N 0 3 237.368 3.142 20 0 BGADHN c1cc2c(o1)CCC[C@@H]2NC[C@H]1CCCS1 ZINC000169219853 134249819 /nfs/dbraw/zinc/24/98/19/134249819.db2.gz IFXANAHLCKHWKE-PWSUYJOCSA-N 0 3 237.368 3.142 20 0 BGADHN CC(C)c1cc(CNC(C2CC2)C2CC2)on1 ZINC000169222323 538947051 /nfs/dbraw/zinc/94/70/51/538947051.db2.gz WHSRFSTZROAIIB-UHFFFAOYSA-N 0 3 234.343 3.076 20 0 BGADHN CC(C)c1cc(CN[C@@H](C)C2CCCC2)on1 ZINC000169281689 538946646 /nfs/dbraw/zinc/94/66/46/538946646.db2.gz QLHMUCPORRWPNX-NSHDSACASA-N 0 3 236.359 3.466 20 0 BGADHN CC(C)c1cc(CN[C@H](C)C2CCCC2)on1 ZINC000169281772 538946986 /nfs/dbraw/zinc/94/69/86/538946986.db2.gz QLHMUCPORRWPNX-LLVKDONJSA-N 0 3 236.359 3.466 20 0 BGADHN CC(C)c1cc(CN[C@H](C(C)C)C2CC2)on1 ZINC000169284421 538946701 /nfs/dbraw/zinc/94/67/01/538946701.db2.gz VRFFORUESRZOKF-CQSZACIVSA-N 0 3 236.359 3.322 20 0 BGADHN CC(C)c1cc(CN[C@@H](C(C)C)C2CC2)on1 ZINC000169284485 538946936 /nfs/dbraw/zinc/94/69/36/538946936.db2.gz VRFFORUESRZOKF-AWEZNQCLSA-N 0 3 236.359 3.322 20 0 BGADHN CC(=O)Nc1cccc(CN(C)CCC(C)C)c1 ZINC000170643498 363333368 /nfs/dbraw/zinc/33/33/68/363333368.db2.gz WYUVZNLOBUKBFH-UHFFFAOYSA-N 0 3 248.370 3.123 20 0 BGADHN CCOc1ccc(CN2CCCCC2)cc1 ZINC000170707128 346438274 /nfs/dbraw/zinc/43/82/74/346438274.db2.gz DRUUEVZIUCRBTG-UHFFFAOYSA-N 0 3 219.328 3.071 20 0 BGADHN CCc1ccc(CN(C)CCSC)cc1 ZINC000170711834 346438637 /nfs/dbraw/zinc/43/86/37/346438637.db2.gz UGRITMWAVAZRGU-UHFFFAOYSA-N 0 3 223.385 3.044 20 0 BGADHN CC[C@@H](C)NCc1coc(-c2cccs2)n1 ZINC000170749514 384517175 /nfs/dbraw/zinc/51/71/75/384517175.db2.gz QHEOUFGXCNHRPW-SECBINFHSA-N 0 3 236.340 3.291 20 0 BGADHN CC[C@H](C)NCc1coc(-c2cccs2)n1 ZINC000170749516 384517191 /nfs/dbraw/zinc/51/71/91/384517191.db2.gz QHEOUFGXCNHRPW-VIFPVBQESA-N 0 3 236.340 3.291 20 0 BGADHN CCCc1ccc(CN2CCCO[C@H](C)C2)cc1 ZINC000170763994 346446292 /nfs/dbraw/zinc/44/62/92/346446292.db2.gz ILTWQNVGFIYRCI-CQSZACIVSA-N 0 3 247.382 3.250 20 0 BGADHN CCCc1ccc(CN2CCCO[C@@H](C)C2)cc1 ZINC000170763996 346445830 /nfs/dbraw/zinc/44/58/30/346445830.db2.gz ILTWQNVGFIYRCI-AWEZNQCLSA-N 0 3 247.382 3.250 20 0 BGADHN CC(C)c1ccc(CN2CCCO[C@H](C)C2)cc1 ZINC000170772261 346447067 /nfs/dbraw/zinc/44/70/67/346447067.db2.gz RAYJLMBUQGFWPJ-CQSZACIVSA-N 0 3 247.382 3.421 20 0 BGADHN CC(C)c1ccc(CN2CCCO[C@@H](C)C2)cc1 ZINC000170772264 346447177 /nfs/dbraw/zinc/44/71/77/346447177.db2.gz RAYJLMBUQGFWPJ-AWEZNQCLSA-N 0 3 247.382 3.421 20 0 BGADHN Cc1nc(CN(C(C)C)C2CCCC2)oc1C ZINC000170790312 384520471 /nfs/dbraw/zinc/52/04/71/384520471.db2.gz CLIKTUPEARXQGC-UHFFFAOYSA-N 0 3 236.359 3.444 20 0 BGADHN CC[C@@H](C)N(C)Cc1nc2ccccc2o1 ZINC000170790616 385445943 /nfs/dbraw/zinc/44/59/43/385445943.db2.gz CULAYGMIIUCQFU-SNVBAGLBSA-N 0 3 218.300 3.058 20 0 BGADHN CC[C@@H](C)N(C)Cc1cccc(F)c1F ZINC000170790754 384407445 /nfs/dbraw/zinc/40/74/45/384407445.db2.gz JOTYEQJBUJOHIH-SECBINFHSA-N 0 3 213.271 3.195 20 0 BGADHN CC[C@H](C)N(C)Cc1cccc(F)c1F ZINC000170790757 384407731 /nfs/dbraw/zinc/40/77/31/384407731.db2.gz JOTYEQJBUJOHIH-VIFPVBQESA-N 0 3 213.271 3.195 20 0 BGADHN COc1ccc(OC)c(CN2CCCC2(C)C)c1 ZINC000170872743 346465412 /nfs/dbraw/zinc/46/54/12/346465412.db2.gz PDZSWDCISQONIJ-UHFFFAOYSA-N 0 3 249.354 3.078 20 0 BGADHN CC1(C)CCCN1Cc1ccc(F)c(F)c1 ZINC000170872765 346465030 /nfs/dbraw/zinc/46/50/30/346465030.db2.gz GVRRHUPTVWYXRF-UHFFFAOYSA-N 0 3 225.282 3.339 20 0 BGADHN CC1(C)CCCN1Cc1ccccc1F ZINC000170872822 346464941 /nfs/dbraw/zinc/46/49/41/346464941.db2.gz SVGWEJOMBROWQN-UHFFFAOYSA-N 0 3 207.292 3.200 20 0 BGADHN CC1(C)CCCN1Cc1cc(F)ccc1F ZINC000170872863 346465207 /nfs/dbraw/zinc/46/52/07/346465207.db2.gz ZYCLMRUJVNJAIE-UHFFFAOYSA-N 0 3 225.282 3.339 20 0 BGADHN CCCN(Cc1ncc(C)c(OC)c1C)C1CC1 ZINC000170900741 169180965 /nfs/dbraw/zinc/18/09/65/169180965.db2.gz JMNVYZGYXDYXIE-UHFFFAOYSA-N 0 3 248.370 3.081 20 0 BGADHN CCCN(Cc1cn2cc(C)ccc2n1)C1CC1 ZINC000170900826 169178361 /nfs/dbraw/zinc/17/83/61/169178361.db2.gz SYQWBEFOITWKMX-UHFFFAOYSA-N 0 3 243.354 3.017 20 0 BGADHN CC[C@@H](C)N(C)Cc1cc(F)ccc1F ZINC000170915333 346479463 /nfs/dbraw/zinc/47/94/63/346479463.db2.gz XIPCWWSUUWJQGI-SECBINFHSA-N 0 3 213.271 3.195 20 0 BGADHN CC[C@H](C)N(C)Cc1cc(F)ccc1F ZINC000170915335 346479385 /nfs/dbraw/zinc/47/93/85/346479385.db2.gz XIPCWWSUUWJQGI-VIFPVBQESA-N 0 3 213.271 3.195 20 0 BGADHN CCOc1ccccc1CN(C)[C@H](C)CC ZINC000170916112 346480118 /nfs/dbraw/zinc/48/01/18/346480118.db2.gz YRXGWKMQPGOGGY-GFCCVEGCSA-N 0 3 221.344 3.316 20 0 BGADHN CCOc1ccccc1CN(C)[C@@H](C)CC ZINC000170916113 346480264 /nfs/dbraw/zinc/48/02/64/346480264.db2.gz YRXGWKMQPGOGGY-LBPRGKRZSA-N 0 3 221.344 3.316 20 0 BGADHN CC[C@@H](C)[C@@H](C)N(Cc1cc(C)no1)C1CC1 ZINC000170931090 134255314 /nfs/dbraw/zinc/25/53/14/134255314.db2.gz IUONKKFVZBXRQY-ZYHUDNBSSA-N 0 3 236.359 3.382 20 0 BGADHN CC[C@H](C)[C@@H](C)N(Cc1cc(C)no1)C1CC1 ZINC000170931092 535826117 /nfs/dbraw/zinc/82/61/17/535826117.db2.gz IUONKKFVZBXRQY-CMPLNLGQSA-N 0 3 236.359 3.382 20 0 BGADHN CC[C@@H](C)[C@H](C)N(Cc1cc(C)no1)C1CC1 ZINC000170931093 134255386 /nfs/dbraw/zinc/25/53/86/134255386.db2.gz IUONKKFVZBXRQY-PWSUYJOCSA-N 0 3 236.359 3.382 20 0 BGADHN CC[C@H](C)[C@H](C)N(Cc1cc(C)no1)C1CC1 ZINC000170931095 535933445 /nfs/dbraw/zinc/93/34/45/535933445.db2.gz IUONKKFVZBXRQY-JQWIXIFHSA-N 0 3 236.359 3.382 20 0 BGADHN C[C@@H]1c2ccccc2CCN1CCOC(C)(C)C ZINC000170954665 134255804 /nfs/dbraw/zinc/25/58/04/134255804.db2.gz ISSBLSDOPBXPEI-CYBMUJFWSA-N 0 3 247.382 3.421 20 0 BGADHN C[C@H]1c2ccccc2CCN1CCOC(C)(C)C ZINC000170954668 134255715 /nfs/dbraw/zinc/25/57/15/134255715.db2.gz ISSBLSDOPBXPEI-ZDUSSCGKSA-N 0 3 247.382 3.421 20 0 BGADHN CC(C)OCCN1CCc2ccccc2[C@H]1C ZINC000170955558 167233918 /nfs/dbraw/zinc/23/39/18/167233918.db2.gz VPQDFGJTARBIEH-CYBMUJFWSA-N 0 3 233.355 3.031 20 0 BGADHN CC(C)OCCN1CCc2ccccc2[C@@H]1C ZINC000170955561 167236111 /nfs/dbraw/zinc/23/61/11/167236111.db2.gz VPQDFGJTARBIEH-ZDUSSCGKSA-N 0 3 233.355 3.031 20 0 BGADHN CC(C)Oc1ccc(CN2CCCCC2)cc1 ZINC000171028654 359530612 /nfs/dbraw/zinc/53/06/12/359530612.db2.gz QIJSCFMSUPDJCF-UHFFFAOYSA-N 0 3 233.355 3.460 20 0 BGADHN CC(C)Oc1ccc(CN(C)C2CC2)cc1 ZINC000171031771 167293015 /nfs/dbraw/zinc/29/30/15/167293015.db2.gz QSZHVKKUEZDFHU-UHFFFAOYSA-N 0 3 219.328 3.068 20 0 BGADHN CSCCN(C)Cc1ccc(SC)cc1 ZINC000171045220 361229085 /nfs/dbraw/zinc/22/90/85/361229085.db2.gz WDEDEFNKRVRHGU-UHFFFAOYSA-N 0 3 241.425 3.203 20 0 BGADHN C/C(=C\c1ccccc1)CNCc1ccoc1 ZINC000171050646 361235169 /nfs/dbraw/zinc/23/51/69/361235169.db2.gz DSLUXBQSGROQGG-UKTHLTGXSA-N 0 3 227.307 3.473 20 0 BGADHN COc1ccccc1/C=C/CNCc1ccoc1 ZINC000171050650 361234946 /nfs/dbraw/zinc/23/49/46/361234946.db2.gz XEHGKHIGEAYDOI-GQCTYLIASA-N 0 3 243.306 3.091 20 0 BGADHN Cc1ccc2nc(CN3CCCC3(C)C)cn2c1 ZINC000171067297 385466201 /nfs/dbraw/zinc/46/62/01/385466201.db2.gz KROFRLRARMGABI-UHFFFAOYSA-N 0 3 243.354 3.017 20 0 BGADHN CCCCN(CC)Cc1cn2ccsc2n1 ZINC000171077099 361320247 /nfs/dbraw/zinc/32/02/47/361320247.db2.gz WFIVIFURMQIVGL-UHFFFAOYSA-N 0 3 237.372 3.018 20 0 BGADHN CN(Cc1cn2ccsc2n1)CC1CCCC1 ZINC000171080498 361324716 /nfs/dbraw/zinc/32/47/16/361324716.db2.gz ZHZWPGSIXDKEFA-UHFFFAOYSA-N 0 3 249.383 3.018 20 0 BGADHN CSCCN(C)Cc1ccc(C)cc1C ZINC000171082529 345872697 /nfs/dbraw/zinc/87/26/97/345872697.db2.gz DWBKSYIICZNSKF-UHFFFAOYSA-N 0 3 223.385 3.098 20 0 BGADHN CN(Cc1ccccc1F)CC(C)(C)C ZINC000171082703 346806751 /nfs/dbraw/zinc/80/67/51/346806751.db2.gz BEAGQDBYCKGPSL-UHFFFAOYSA-N 0 3 209.308 3.304 20 0 BGADHN CCn1ccnc1CN(C(C)C)C1CCCCC1 ZINC000171139189 346442602 /nfs/dbraw/zinc/44/26/02/346442602.db2.gz NDCKPPMKEDFHDD-UHFFFAOYSA-N 0 3 249.402 3.446 20 0 BGADHN CCN(CCc1ccccc1)Cc1cccnc1 ZINC000171145974 385470220 /nfs/dbraw/zinc/47/02/20/385470220.db2.gz VIENSLWSMPSAOI-UHFFFAOYSA-N 0 3 240.350 3.146 20 0 BGADHN COc1c(C)cnc(CN(C)C2CCCC2)c1C ZINC000171233740 385472630 /nfs/dbraw/zinc/47/26/30/385472630.db2.gz FIMREPHOGBSJFN-UHFFFAOYSA-N 0 3 248.370 3.081 20 0 BGADHN COc1ccc(CN(C)[C@H]2C=CCCC2)cc1 ZINC000171278332 365187464 /nfs/dbraw/zinc/18/74/64/365187464.db2.gz GZFQQIMLSVSAOA-AWEZNQCLSA-N 0 3 231.339 3.236 20 0 BGADHN COc1ccc(CN(C)[C@@H]2C=CCCC2)cc1 ZINC000171278338 365186768 /nfs/dbraw/zinc/18/67/68/365186768.db2.gz GZFQQIMLSVSAOA-CQSZACIVSA-N 0 3 231.339 3.236 20 0 BGADHN CC(C)OCCCN(C)Cc1ccccc1F ZINC000171497045 167210105 /nfs/dbraw/zinc/21/01/05/167210105.db2.gz DXEVKWYNJGPCFK-UHFFFAOYSA-N 0 3 239.334 3.073 20 0 BGADHN COCCCCCN(C)Cc1ccccc1F ZINC000171497050 174175644 /nfs/dbraw/zinc/17/56/44/174175644.db2.gz NWVPAKIQIXJZFS-UHFFFAOYSA-N 0 3 239.334 3.074 20 0 BGADHN CC(C)OCCCN(C)Cc1ccc(F)cc1 ZINC000171497257 167209753 /nfs/dbraw/zinc/20/97/53/167209753.db2.gz CULKQXLOYBIMQS-UHFFFAOYSA-N 0 3 239.334 3.073 20 0 BGADHN CC(C)OCCCN(C)Cc1cccc(F)c1 ZINC000171498198 167210076 /nfs/dbraw/zinc/21/00/76/167210076.db2.gz COWAUIQZQWSYBR-UHFFFAOYSA-N 0 3 239.334 3.073 20 0 BGADHN CC(C)OCCCN(C)[C@@H](C)c1ccco1 ZINC000171500458 167209738 /nfs/dbraw/zinc/20/97/38/167209738.db2.gz OGJBITWEADGKSJ-LBPRGKRZSA-N 0 3 225.332 3.088 20 0 BGADHN CC(C)OCCCN(C)[C@H](C)c1ccco1 ZINC000171500462 167212045 /nfs/dbraw/zinc/21/20/45/167212045.db2.gz OGJBITWEADGKSJ-GFCCVEGCSA-N 0 3 225.332 3.088 20 0 BGADHN Cc1ccc(CN(C)CCCOC(C)C)s1 ZINC000171501800 384594187 /nfs/dbraw/zinc/59/41/87/384594187.db2.gz RIOBGEGQNNLOMK-UHFFFAOYSA-N 0 3 241.400 3.303 20 0 BGADHN c1ccc(CN2CCCc3ccccc3C2)nc1 ZINC000171592392 183399904 /nfs/dbraw/zinc/39/99/04/183399904.db2.gz JNTDNDQULUQDQS-UHFFFAOYSA-N 0 3 238.334 3.030 20 0 BGADHN c1ccc2c(c1)CCCN(Cc1cccnc1)C2 ZINC000171594815 385499331 /nfs/dbraw/zinc/49/93/31/385499331.db2.gz SFGCMCFSTNZKNL-UHFFFAOYSA-N 0 3 238.334 3.030 20 0 BGADHN Cc1cccc2c1CCN(CCOC(C)(C)C)C2 ZINC000171609092 640995224 /nfs/dbraw/zinc/99/52/24/640995224.db2.gz HBZLRGLQABHLMY-UHFFFAOYSA-N 0 3 247.382 3.168 20 0 BGADHN CC(C)CN1CCc2[nH]c3ccccc3c2C1 ZINC000171613411 346830961 /nfs/dbraw/zinc/83/09/61/346830961.db2.gz CJUOCGNPBWOHDT-UHFFFAOYSA-N 0 3 228.339 3.182 20 0 BGADHN CCCCN1CCc2[nH]c3ccccc3c2C1 ZINC000171620569 346831765 /nfs/dbraw/zinc/83/17/65/346831765.db2.gz GSJASOUVJDJKAS-UHFFFAOYSA-N 0 3 228.339 3.326 20 0 BGADHN CCOCCN1CCC(c2ccccc2C)CC1 ZINC000171629045 134257354 /nfs/dbraw/zinc/25/73/54/134257354.db2.gz XPABWDRGQZZNFW-UHFFFAOYSA-N 0 3 247.382 3.211 20 0 BGADHN CSCCN(C)[C@H](C)c1sc(C)nc1C ZINC000171631973 385501926 /nfs/dbraw/zinc/50/19/26/385501926.db2.gz RLEPZCDDCFLMLP-SECBINFHSA-N 0 3 244.429 3.116 20 0 BGADHN CSCCN(C)[C@@H](C)c1sc(C)nc1C ZINC000171631977 385501510 /nfs/dbraw/zinc/50/15/10/385501510.db2.gz RLEPZCDDCFLMLP-VIFPVBQESA-N 0 3 244.429 3.116 20 0 BGADHN CCOCCN(CC)Cc1cc(C)sc1C ZINC000171635205 535585386 /nfs/dbraw/zinc/58/53/86/535585386.db2.gz QKZNDHDVIWBFAY-UHFFFAOYSA-N 0 3 241.400 3.223 20 0 BGADHN CC[C@H](O)CN(C)Cc1ccc(C(C)C)cc1 ZINC000171647200 384618775 /nfs/dbraw/zinc/61/87/75/384618775.db2.gz QPVXMSOUEJZODP-HNNXBMFYSA-N 0 3 235.371 3.013 20 0 BGADHN CC[C@@H](O)CN(C)Cc1ccc(C(C)C)cc1 ZINC000171647204 365223948 /nfs/dbraw/zinc/22/39/48/365223948.db2.gz QPVXMSOUEJZODP-OAHLLOKOSA-N 0 3 235.371 3.013 20 0 BGADHN CC(C)N(C)Cc1ccc(Cl)cc1F ZINC000171669405 134257606 /nfs/dbraw/zinc/25/76/06/134257606.db2.gz BIAPSBKEIZJOFG-UHFFFAOYSA-N 0 3 215.699 3.319 20 0 BGADHN CCCN(C)Cc1ccc(Cl)cc1F ZINC000171669561 487845514 /nfs/dbraw/zinc/84/55/14/487845514.db2.gz SSWMMMDXDHXQOW-UHFFFAOYSA-N 0 3 215.699 3.321 20 0 BGADHN CCCN(Cc1cccc(NC(C)=O)c1)C1CC1 ZINC000171678245 169177842 /nfs/dbraw/zinc/17/78/42/169177842.db2.gz YXOMRCRTXHVCRY-UHFFFAOYSA-N 0 3 246.354 3.019 20 0 BGADHN CCCN(Cc1cn2c(cccc2C)n1)C1CC1 ZINC000171679604 169178852 /nfs/dbraw/zinc/17/88/52/169178852.db2.gz WGRZKPQGILTKCA-UHFFFAOYSA-N 0 3 243.354 3.017 20 0 BGADHN CCCN(Cc1nc2ccccc2o1)C1CC1 ZINC000171681413 134260214 /nfs/dbraw/zinc/26/02/14/134260214.db2.gz XXIZKQMUULSYMS-UHFFFAOYSA-N 0 3 230.311 3.202 20 0 BGADHN CCCN(Cc1ccc(OC)c(F)c1)C1CC1 ZINC000171681935 365225908 /nfs/dbraw/zinc/22/59/08/365225908.db2.gz CTDQMJILUOZIAB-UHFFFAOYSA-N 0 3 237.318 3.209 20 0 BGADHN C[C@@H](c1ccccc1)N1CCS[C@H](C)C1 ZINC000171699296 176021721 /nfs/dbraw/zinc/02/17/21/176021721.db2.gz BMHJXLDHZTZAPY-NEPJUHHUSA-N 0 3 221.369 3.185 20 0 BGADHN COCCN(Cc1ccccc1)[C@H]1C=CCCC1 ZINC000171729650 365230104 /nfs/dbraw/zinc/23/01/04/365230104.db2.gz NRZSACCRQZNUMI-INIZCTEOSA-N 0 3 245.366 3.244 20 0 BGADHN COCCN(Cc1ccccc1)[C@@H]1C=CCCC1 ZINC000171729654 365230210 /nfs/dbraw/zinc/23/02/10/365230210.db2.gz NRZSACCRQZNUMI-MRXNPFEDSA-N 0 3 245.366 3.244 20 0 BGADHN CN(Cc1cccc(F)c1)[C@H]1C=CCCC1 ZINC000171729663 372744430 /nfs/dbraw/zinc/74/44/30/372744430.db2.gz XITCPVIRHMKPHO-AWEZNQCLSA-N 0 3 219.303 3.366 20 0 BGADHN CN(Cc1cccc(F)c1)[C@@H]1C=CCCC1 ZINC000171729666 372743894 /nfs/dbraw/zinc/74/38/94/372743894.db2.gz XITCPVIRHMKPHO-CQSZACIVSA-N 0 3 219.303 3.366 20 0 BGADHN FC(F)(F)[C@H]1CCCN([C@H]2C=CCCC2)C1 ZINC000171729791 365229857 /nfs/dbraw/zinc/22/98/57/365229857.db2.gz WVUNCDZFIHVEFC-QWRGUYRKSA-N 0 3 233.277 3.369 20 0 BGADHN FC(F)(F)[C@H]1CCCN([C@@H]2C=CCCC2)C1 ZINC000171729793 365230503 /nfs/dbraw/zinc/23/05/03/365230503.db2.gz WVUNCDZFIHVEFC-WDEREUQCSA-N 0 3 233.277 3.369 20 0 BGADHN Cc1occc1CN(C)[C@H]1C=CCCC1 ZINC000171734500 385513775 /nfs/dbraw/zinc/51/37/75/385513775.db2.gz SBTPDKOFKLHKDU-ZDUSSCGKSA-N 0 3 205.301 3.129 20 0 BGADHN Cc1occc1CN(C)[C@@H]1C=CCCC1 ZINC000171734508 385514512 /nfs/dbraw/zinc/51/45/12/385514512.db2.gz SBTPDKOFKLHKDU-CYBMUJFWSA-N 0 3 205.301 3.129 20 0 BGADHN c1csc([C@@H]2CCCN([C@H]3C=CCCC3)C2)n1 ZINC000171735775 134260323 /nfs/dbraw/zinc/26/03/23/134260323.db2.gz GCWVMWDJTUODDM-OLZOCXBDSA-N 0 3 248.395 3.431 20 0 BGADHN c1csc([C@H]2CCCN([C@H]3C=CCCC3)C2)n1 ZINC000171735778 134260446 /nfs/dbraw/zinc/26/04/46/134260446.db2.gz GCWVMWDJTUODDM-STQMWFEESA-N 0 3 248.395 3.431 20 0 BGADHN CC(C)N(Cc1ccc(Cl)nc1)C1CC1 ZINC000171749942 188162326 /nfs/dbraw/zinc/16/23/26/188162326.db2.gz QYOIABSVGHNEEX-UHFFFAOYSA-N 0 3 224.735 3.108 20 0 BGADHN Cc1ncsc1CN(C)CC1CCCC1 ZINC000171751873 180312968 /nfs/dbraw/zinc/31/29/68/180312968.db2.gz OQXITOQBUGWBLC-UHFFFAOYSA-N 0 3 224.373 3.074 20 0 BGADHN c1ncc(CN[C@@H](c2ccccc2)C2CCC2)[nH]1 ZINC000171764212 385515341 /nfs/dbraw/zinc/51/53/41/385515341.db2.gz KEWVLBUIBKYGEC-HNNXBMFYSA-N 0 3 241.338 3.041 20 0 BGADHN c1nc(CN[C@@H](c2ccccc2)C2CCC2)c[nH]1 ZINC000171764212 385515337 /nfs/dbraw/zinc/51/53/37/385515337.db2.gz KEWVLBUIBKYGEC-HNNXBMFYSA-N 0 3 241.338 3.041 20 0 BGADHN c1ncc(CN[C@H](c2ccccc2)C2CCC2)[nH]1 ZINC000171764216 385515832 /nfs/dbraw/zinc/51/58/32/385515832.db2.gz KEWVLBUIBKYGEC-OAHLLOKOSA-N 0 3 241.338 3.041 20 0 BGADHN c1nc(CN[C@H](c2ccccc2)C2CCC2)c[nH]1 ZINC000171764216 385515829 /nfs/dbraw/zinc/51/58/29/385515829.db2.gz KEWVLBUIBKYGEC-OAHLLOKOSA-N 0 3 241.338 3.041 20 0 BGADHN C[C@@H]1Cc2ccccc2[C@@H]1NCc1ccoc1 ZINC000171786932 385517407 /nfs/dbraw/zinc/51/74/07/385517407.db2.gz HPXNVJHUZAXJLO-IAQYHMDHSA-N 0 3 227.307 3.303 20 0 BGADHN C[C@H]1Cc2ccccc2[C@@H]1NCc1ccoc1 ZINC000171786933 177391408 /nfs/dbraw/zinc/39/14/08/177391408.db2.gz HPXNVJHUZAXJLO-XHDPSFHLSA-N 0 3 227.307 3.303 20 0 BGADHN C[C@@H]1Cc2ccccc2[C@H]1NCc1ccoc1 ZINC000171786935 385517703 /nfs/dbraw/zinc/51/77/03/385517703.db2.gz HPXNVJHUZAXJLO-ABAIWWIYSA-N 0 3 227.307 3.303 20 0 BGADHN C[C@H]1Cc2ccccc2[C@H]1NCc1ccoc1 ZINC000171786939 177391857 /nfs/dbraw/zinc/39/18/57/177391857.db2.gz HPXNVJHUZAXJLO-NHYWBVRUSA-N 0 3 227.307 3.303 20 0 BGADHN COc1cccc(CN(C)CC2CCCCC2)n1 ZINC000171823420 134260777 /nfs/dbraw/zinc/26/07/77/134260777.db2.gz JTEXDBZBAWRPKS-UHFFFAOYSA-N 0 3 248.370 3.102 20 0 BGADHN Cc1ncc(CN(C)CCC(C)(C)C)s1 ZINC000171825095 180137981 /nfs/dbraw/zinc/13/79/81/180137981.db2.gz NSNRNFDOSZPCHA-UHFFFAOYSA-N 0 3 226.389 3.320 20 0 BGADHN Cc1occc1CN(C)CCC(C)(C)C ZINC000171825833 372786471 /nfs/dbraw/zinc/78/64/71/372786471.db2.gz IHTRAWSWOFAOJE-UHFFFAOYSA-N 0 3 209.333 3.456 20 0 BGADHN Cc1ncsc1CN(C)CCC(C)(C)C ZINC000171829396 180312795 /nfs/dbraw/zinc/31/27/95/180312795.db2.gz RIPAVZBJOVYNFP-UHFFFAOYSA-N 0 3 226.389 3.320 20 0 BGADHN CC(C)n1cc(CNCCC2=CCCCC2)cn1 ZINC000171839696 167746858 /nfs/dbraw/zinc/74/68/58/167746858.db2.gz WXNKEVJEXCPZMU-UHFFFAOYSA-N 0 3 247.386 3.444 20 0 BGADHN COc1cccc(CN(C)C2CCCCCC2)n1 ZINC000171859109 134261542 /nfs/dbraw/zinc/26/15/42/134261542.db2.gz BTKSNNACGLVRAA-UHFFFAOYSA-N 0 3 248.370 3.245 20 0 BGADHN COc1cccc(CN(C)C2CCC(C)CC2)n1 ZINC000171859281 134261292 /nfs/dbraw/zinc/26/12/92/134261292.db2.gz BLZSWEWKYMNGBB-UHFFFAOYSA-N 0 3 248.370 3.101 20 0 BGADHN COc1cccc(CN(CCC(C)C)C2CC2)n1 ZINC000171859627 134261558 /nfs/dbraw/zinc/26/15/58/134261558.db2.gz VRPOFUXGYXTEMA-UHFFFAOYSA-N 0 3 248.370 3.101 20 0 BGADHN COc1cccc(CN(C)[C@H]2CCC[C@@H](C)C2)n1 ZINC000171859633 134261538 /nfs/dbraw/zinc/26/15/38/134261538.db2.gz DFENDCINDNTIPD-OCCSQVGLSA-N 0 3 248.370 3.101 20 0 BGADHN COc1cccc(CN(C)[C@H]2CCC[C@H](C)C2)n1 ZINC000171859634 134261367 /nfs/dbraw/zinc/26/13/67/134261367.db2.gz DFENDCINDNTIPD-JSGCOSHPSA-N 0 3 248.370 3.101 20 0 BGADHN COc1cccc(CN(C)[C@@H]2CCC[C@@H](C)C2)n1 ZINC000171859635 134261353 /nfs/dbraw/zinc/26/13/53/134261353.db2.gz DFENDCINDNTIPD-TZMCWYRMSA-N 0 3 248.370 3.101 20 0 BGADHN COc1cccc(CN(C)[C@@H]2CCC[C@H](C)C2)n1 ZINC000171859637 134261511 /nfs/dbraw/zinc/26/15/11/134261511.db2.gz DFENDCINDNTIPD-GXTWGEPZSA-N 0 3 248.370 3.101 20 0 BGADHN COc1cccc(CN([C@H](C)C(C)C)C2CC2)n1 ZINC000171859711 134261261 /nfs/dbraw/zinc/26/12/61/134261261.db2.gz FCEXCWQVRCJEBE-GFCCVEGCSA-N 0 3 248.370 3.099 20 0 BGADHN COc1cccc(CN([C@@H](C)C(C)C)C2CC2)n1 ZINC000171859713 134261520 /nfs/dbraw/zinc/26/15/20/134261520.db2.gz FCEXCWQVRCJEBE-LBPRGKRZSA-N 0 3 248.370 3.099 20 0 BGADHN C[C@@H](c1ccncc1)N(C)CCc1ccccc1 ZINC000171918399 176033971 /nfs/dbraw/zinc/03/39/71/176033971.db2.gz LFOLJRVFLGGTKL-AWEZNQCLSA-N 0 3 240.350 3.317 20 0 BGADHN C[C@H](c1ccncc1)N(C)CCc1ccccc1 ZINC000171918402 177050162 /nfs/dbraw/zinc/05/01/62/177050162.db2.gz LFOLJRVFLGGTKL-CQSZACIVSA-N 0 3 240.350 3.317 20 0 BGADHN C[C@@H](c1cccc(O)c1)N(C)[C@H]1C=CCCC1 ZINC000171929538 176019417 /nfs/dbraw/zinc/01/94/17/176019417.db2.gz KHGPSOCWWLENTF-JSGCOSHPSA-N 0 3 231.339 3.494 20 0 BGADHN C[C@H](c1cccc(O)c1)N(C)[C@H]1C=CCCC1 ZINC000171929541 177037421 /nfs/dbraw/zinc/03/74/21/177037421.db2.gz KHGPSOCWWLENTF-OCCSQVGLSA-N 0 3 231.339 3.494 20 0 BGADHN COc1cc(CN(C)C2CC2)ccc1SC ZINC000171948483 398329114 /nfs/dbraw/zinc/32/91/14/398329114.db2.gz MJGFQWDRGPTLNK-UHFFFAOYSA-N 0 3 237.368 3.011 20 0 BGADHN CC[C@@H](C)CN(C)Cc1cn2c(cccc2C)n1 ZINC000171948950 365261125 /nfs/dbraw/zinc/26/11/25/365261125.db2.gz CXABGDKIVAQUGI-GFCCVEGCSA-N 0 3 245.370 3.121 20 0 BGADHN CC[C@H](C)CN(C)Cc1cn2c(cccc2C)n1 ZINC000171948953 365261280 /nfs/dbraw/zinc/26/12/80/365261280.db2.gz CXABGDKIVAQUGI-LBPRGKRZSA-N 0 3 245.370 3.121 20 0 BGADHN Cc1ccccc1[C@H](NCc1cnc[nH]1)C(C)C ZINC000171966332 179344882 /nfs/dbraw/zinc/34/48/82/179344882.db2.gz ZDYKIFJHPATAKW-OAHLLOKOSA-N 0 3 243.354 3.205 20 0 BGADHN Cc1ccccc1[C@H](NCc1c[nH]cn1)C(C)C ZINC000171966332 179344880 /nfs/dbraw/zinc/34/48/80/179344880.db2.gz ZDYKIFJHPATAKW-OAHLLOKOSA-N 0 3 243.354 3.205 20 0 BGADHN Cc1ccccc1[C@@H](NCc1cnc[nH]1)C(C)C ZINC000171966334 179326397 /nfs/dbraw/zinc/32/63/97/179326397.db2.gz ZDYKIFJHPATAKW-HNNXBMFYSA-N 0 3 243.354 3.205 20 0 BGADHN Cc1ccccc1[C@@H](NCc1c[nH]cn1)C(C)C ZINC000171966334 179326394 /nfs/dbraw/zinc/32/63/94/179326394.db2.gz ZDYKIFJHPATAKW-HNNXBMFYSA-N 0 3 243.354 3.205 20 0 BGADHN CCN(Cc1cc(F)ccc1F)CC1CC1 ZINC000171973989 134263889 /nfs/dbraw/zinc/26/38/89/134263889.db2.gz RPMDZPHEWLOWJG-UHFFFAOYSA-N 0 3 225.282 3.197 20 0 BGADHN CC(C)C[N@H+](Cc1cccc([O-])c1)CC1CC1 ZINC000171991371 398344985 /nfs/dbraw/zinc/34/49/85/398344985.db2.gz JBKWQSWBEHPBBS-UHFFFAOYSA-N 0 3 233.355 3.260 20 0 BGADHN CC(C)C[N@@H+](Cc1cccc([O-])c1)CC1CC1 ZINC000171991371 398344984 /nfs/dbraw/zinc/34/49/84/398344984.db2.gz JBKWQSWBEHPBBS-UHFFFAOYSA-N 0 3 233.355 3.260 20 0 BGADHN CC(C)n1ccc(CN(C)[C@H]2CCCC[C@H]2C)n1 ZINC000172011637 365269036 /nfs/dbraw/zinc/26/90/36/365269036.db2.gz BOIRPMAEJXDEPY-HIFRSBDPSA-N 0 3 249.402 3.475 20 0 BGADHN CC(C)n1ccc(CN(C)[C@H]2CCCC[C@@H]2C)n1 ZINC000172011638 365269055 /nfs/dbraw/zinc/26/90/55/365269055.db2.gz BOIRPMAEJXDEPY-ZFWWWQNUSA-N 0 3 249.402 3.475 20 0 BGADHN CC(C)n1ccc(CN(C)[C@@H]2CCCC[C@H]2C)n1 ZINC000172011640 365268869 /nfs/dbraw/zinc/26/88/69/365268869.db2.gz BOIRPMAEJXDEPY-UKRRQHHQSA-N 0 3 249.402 3.475 20 0 BGADHN CC(C)n1ccc(CN(C)[C@@H]2CCCC[C@@H]2C)n1 ZINC000172011642 365269017 /nfs/dbraw/zinc/26/90/17/365269017.db2.gz BOIRPMAEJXDEPY-DZGCQCFKSA-N 0 3 249.402 3.475 20 0 BGADHN CCCN(CCC)Cc1ccn(C(C)C)n1 ZINC000172011703 384941644 /nfs/dbraw/zinc/94/16/44/384941644.db2.gz DZEZKOLKRFKYMY-UHFFFAOYSA-N 0 3 223.364 3.086 20 0 BGADHN CC(C)CN(Cc1ccn(C(C)C)n1)C(C)C ZINC000172011800 384941469 /nfs/dbraw/zinc/94/14/69/384941469.db2.gz DTTUNSJAKRDBRC-UHFFFAOYSA-N 0 3 237.391 3.330 20 0 BGADHN CC(C)n1ccc(CN(C)[C@H]2CCC[C@@H](C)C2)n1 ZINC000172011818 365269000 /nfs/dbraw/zinc/26/90/00/365269000.db2.gz IXJHUTXVMQERET-HIFRSBDPSA-N 0 3 249.402 3.475 20 0 BGADHN CC(C)n1ccc(CN(C)[C@H]2CCC[C@H](C)C2)n1 ZINC000172011820 365269084 /nfs/dbraw/zinc/26/90/84/365269084.db2.gz IXJHUTXVMQERET-ZFWWWQNUSA-N 0 3 249.402 3.475 20 0 BGADHN CC(C)n1ccc(CN(C)[C@@H]2CCC[C@@H](C)C2)n1 ZINC000172011821 365268965 /nfs/dbraw/zinc/26/89/65/365268965.db2.gz IXJHUTXVMQERET-UKRRQHHQSA-N 0 3 249.402 3.475 20 0 BGADHN CC(C)n1ccc(CN(C)[C@@H]2CCC[C@H](C)C2)n1 ZINC000172011822 365268981 /nfs/dbraw/zinc/26/89/81/365268981.db2.gz IXJHUTXVMQERET-DZGCQCFKSA-N 0 3 249.402 3.475 20 0 BGADHN CCN(Cc1ccn(C(C)C)n1)C1CCCC1 ZINC000172012184 384941927 /nfs/dbraw/zinc/94/19/27/384941927.db2.gz OCFCNQAJMVYEKS-UHFFFAOYSA-N 0 3 235.375 3.229 20 0 BGADHN CC(C)n1ccc(CN(C)C(C2CC2)C2CC2)n1 ZINC000172013039 372856851 /nfs/dbraw/zinc/85/68/51/372856851.db2.gz YYBSFMDCAQVBNW-UHFFFAOYSA-N 0 3 247.386 3.084 20 0 BGADHN CC(C)n1ccc(CN2CCC[C@@H]2C2CCC2)n1 ZINC000172013790 134264250 /nfs/dbraw/zinc/26/42/50/134264250.db2.gz BMIVSNDAVYTCKL-OAHLLOKOSA-N 0 3 247.386 3.229 20 0 BGADHN CC(C)n1ccc(CN2CCC[C@H]2C2CCC2)n1 ZINC000172013792 134264453 /nfs/dbraw/zinc/26/44/53/134264453.db2.gz BMIVSNDAVYTCKL-HNNXBMFYSA-N 0 3 247.386 3.229 20 0 BGADHN CCCN(Cc1ccn(C(C)C)n1)CC1CC1 ZINC000172016469 384944895 /nfs/dbraw/zinc/94/48/95/384944895.db2.gz GEELPABMSKUOCX-UHFFFAOYSA-N 0 3 235.375 3.086 20 0 BGADHN CC(C)(C)C1CCN(Cc2ccccn2)CC1 ZINC000172031431 534558462 /nfs/dbraw/zinc/55/84/62/534558462.db2.gz JLLZTGKWTYWCRR-UHFFFAOYSA-N 0 3 232.371 3.340 20 0 BGADHN CC(C)(C)C1CCN(Cc2cccnc2)CC1 ZINC000172033023 534558805 /nfs/dbraw/zinc/55/88/05/534558805.db2.gz KPYYWBXDEFBGAY-UHFFFAOYSA-N 0 3 232.371 3.340 20 0 BGADHN Cc1cc(CN2CCC(C(C)(C)C)CC2)on1 ZINC000172033596 365278077 /nfs/dbraw/zinc/27/80/77/365278077.db2.gz DWZIRJNSNGSQKY-UHFFFAOYSA-N 0 3 236.359 3.241 20 0 BGADHN CCN(Cc1ccn(C(C)C)n1)[C@@H](C)C(C)C ZINC000172097256 385247871 /nfs/dbraw/zinc/24/78/71/385247871.db2.gz RYXPUMJGFAVMDJ-ZDUSSCGKSA-N 0 3 237.391 3.330 20 0 BGADHN CCN(Cc1ccn(C(C)C)n1)[C@H](C)C(C)C ZINC000172097259 385246179 /nfs/dbraw/zinc/24/61/79/385246179.db2.gz RYXPUMJGFAVMDJ-CYBMUJFWSA-N 0 3 237.391 3.330 20 0 BGADHN CC[C@@H](C)N(C)Cc1nc2ccccc2nc1C ZINC000172160122 134262083 /nfs/dbraw/zinc/26/20/83/134262083.db2.gz CDRMJGAOLQGFHE-LLVKDONJSA-N 0 3 243.354 3.169 20 0 BGADHN CC[C@H](C)N(C)Cc1nc2ccccc2nc1C ZINC000172160127 134262040 /nfs/dbraw/zinc/26/20/40/134262040.db2.gz CDRMJGAOLQGFHE-NSHDSACASA-N 0 3 243.354 3.169 20 0 BGADHN Cc1ccc(CN(C)CCc2cccnc2)s1 ZINC000172160774 384539885 /nfs/dbraw/zinc/53/98/85/384539885.db2.gz HPFHYFFXJOUWDV-UHFFFAOYSA-N 0 3 246.379 3.126 20 0 BGADHN CCN(Cc1nc2ccccc2n1C)CC(C)C ZINC000172170519 365298024 /nfs/dbraw/zinc/29/80/24/365298024.db2.gz UODXZFZVSMKSDG-UHFFFAOYSA-N 0 3 245.370 3.051 20 0 BGADHN CCCCCN(C)Cc1cnc(C)s1 ZINC000172176012 384541879 /nfs/dbraw/zinc/54/18/79/384541879.db2.gz AKFWQVGNLUFHHB-UHFFFAOYSA-N 0 3 212.362 3.074 20 0 BGADHN Cc1cc(CN2CCC[C@H](C(C)C)CC2)on1 ZINC000172177048 372899297 /nfs/dbraw/zinc/89/92/97/372899297.db2.gz MEAIABWJEFEHDV-ZDUSSCGKSA-N 0 3 236.359 3.241 20 0 BGADHN Cc1cc(CN2CCC[C@@H](C(C)C)CC2)on1 ZINC000172177052 372898916 /nfs/dbraw/zinc/89/89/16/372898916.db2.gz MEAIABWJEFEHDV-CYBMUJFWSA-N 0 3 236.359 3.241 20 0 BGADHN CCCN(Cc1cn2ccsc2n1)CC1CC1 ZINC000172188313 134262816 /nfs/dbraw/zinc/26/28/16/134262816.db2.gz GUNHRZNYUDGQIC-UHFFFAOYSA-N 0 3 249.383 3.018 20 0 BGADHN CSCCN(C)CCc1ccc(Cl)cc1 ZINC000172200201 365299654 /nfs/dbraw/zinc/29/96/54/365299654.db2.gz FHAGIOQPQPLUAU-UHFFFAOYSA-N 0 3 243.803 3.177 20 0 BGADHN CSCCN1CC=C(c2cccs2)CC1 ZINC000172239267 134264634 /nfs/dbraw/zinc/26/46/34/134264634.db2.gz HVTYSJDKXNBMKP-UHFFFAOYSA-N 0 3 239.409 3.200 20 0 BGADHN CCOC1CCN(Cc2ccc(CC)cc2)CC1 ZINC000172245179 372918058 /nfs/dbraw/zinc/91/80/58/372918058.db2.gz ZHOUREKFHOMIRD-UHFFFAOYSA-N 0 3 247.382 3.250 20 0 BGADHN CC(C)[C@@H]1CCCCN1Cc1ccn(C(C)C)n1 ZINC000172252280 372921165 /nfs/dbraw/zinc/92/11/65/372921165.db2.gz GRSNUIRBMVZCOS-HNNXBMFYSA-N 0 3 249.402 3.475 20 0 BGADHN CC(C)[C@H]1CCCCN1Cc1ccn(C(C)C)n1 ZINC000172252284 372921186 /nfs/dbraw/zinc/92/11/86/372921186.db2.gz GRSNUIRBMVZCOS-OAHLLOKOSA-N 0 3 249.402 3.475 20 0 BGADHN Cc1cccc2nc(CN[C@@H](C)C(C)(C)C)cn21 ZINC000172263077 179229842 /nfs/dbraw/zinc/22/98/42/179229842.db2.gz LMNIVVXNQIFJJD-LBPRGKRZSA-N 0 3 245.370 3.167 20 0 BGADHN Cc1cccc2nc(CN[C@H](C)C(C)(C)C)cn21 ZINC000172263082 179229853 /nfs/dbraw/zinc/22/98/53/179229853.db2.gz LMNIVVXNQIFJJD-GFCCVEGCSA-N 0 3 245.370 3.167 20 0 BGADHN Cc1cc(CN2CCC[C@@]3(CC=CCC3)C2)on1 ZINC000172282558 134265264 /nfs/dbraw/zinc/26/52/64/134265264.db2.gz YAHSJMTXKJATSO-HNNXBMFYSA-N 0 3 246.354 3.305 20 0 BGADHN Cc1cc(CN2CCC[C@]3(CC=CCC3)C2)on1 ZINC000172282564 134265143 /nfs/dbraw/zinc/26/51/43/134265143.db2.gz YAHSJMTXKJATSO-OAHLLOKOSA-N 0 3 246.354 3.305 20 0 BGADHN CC(C)n1ccc(CN(C)C2CCCCC2)n1 ZINC000172332366 385531210 /nfs/dbraw/zinc/53/12/10/385531210.db2.gz ZJZPYOSJKJKVNA-UHFFFAOYSA-N 0 3 235.375 3.229 20 0 BGADHN CC(C)n1ccc(CN(C)C2CCC(C)CC2)n1 ZINC000172333966 372945540 /nfs/dbraw/zinc/94/55/40/372945540.db2.gz LTUSBQSEDCGEMS-UHFFFAOYSA-N 0 3 249.402 3.475 20 0 BGADHN CN(Cc1ccncc1)[C@@H]1CCc2ccccc21 ZINC000172365427 384575227 /nfs/dbraw/zinc/57/52/27/384575227.db2.gz VVFQTBLJZMHDAL-MRXNPFEDSA-N 0 3 238.334 3.201 20 0 BGADHN CN(Cc1ccncc1)[C@H]1CCc2ccccc21 ZINC000172365435 172899594 /nfs/dbraw/zinc/89/95/94/172899594.db2.gz VVFQTBLJZMHDAL-INIZCTEOSA-N 0 3 238.334 3.201 20 0 BGADHN C[C@@H]1CSCCN1c1ccnc2ccccc21 ZINC000172374176 384574797 /nfs/dbraw/zinc/57/47/97/384574797.db2.gz PPTFZVBBMGLUKY-LLVKDONJSA-N 0 3 244.363 3.177 20 0 BGADHN C[C@H]1CSCCN1c1ccnc2ccccc21 ZINC000172374179 384576822 /nfs/dbraw/zinc/57/68/22/384576822.db2.gz PPTFZVBBMGLUKY-NSHDSACASA-N 0 3 244.363 3.177 20 0 BGADHN CCSCCN(CC)Cc1cccs1 ZINC000172384626 385530768 /nfs/dbraw/zinc/53/07/68/385530768.db2.gz IITBYKDDRHWHDE-UHFFFAOYSA-N 0 3 229.414 3.323 20 0 BGADHN CC[C@@H]1CCCCCN1Cc1cscn1 ZINC000172423229 134265893 /nfs/dbraw/zinc/26/58/93/134265893.db2.gz SCRPQBLAACANNR-GFCCVEGCSA-N 0 3 224.373 3.298 20 0 BGADHN CC[C@H]1CCCCCN1Cc1cscn1 ZINC000172423233 134266012 /nfs/dbraw/zinc/26/60/12/134266012.db2.gz SCRPQBLAACANNR-LBPRGKRZSA-N 0 3 224.373 3.298 20 0 BGADHN C[C@H](NCC1CC1)c1nc2c(s1)CCCC2 ZINC000172473956 385535995 /nfs/dbraw/zinc/53/59/95/385535995.db2.gz FFXWMKOKUKVKRP-VIFPVBQESA-N 0 3 236.384 3.083 20 0 BGADHN C[C@@H](NCC1CC1)c1nc2c(s1)CCCC2 ZINC000172473960 385535833 /nfs/dbraw/zinc/53/58/33/385535833.db2.gz FFXWMKOKUKVKRP-SECBINFHSA-N 0 3 236.384 3.083 20 0 BGADHN C[C@@H]1CCCC[C@@H]1NCc1nc2ccccc2o1 ZINC000172481022 365328214 /nfs/dbraw/zinc/32/82/14/365328214.db2.gz LCPXBIYNZIYVJR-NEPJUHHUSA-N 0 3 244.338 3.496 20 0 BGADHN C[C@H]1CCCC[C@@H]1NCc1nc2ccccc2o1 ZINC000172481028 365328004 /nfs/dbraw/zinc/32/80/04/365328004.db2.gz LCPXBIYNZIYVJR-RYUDHWBXSA-N 0 3 244.338 3.496 20 0 BGADHN C[C@@H]1CCCC[C@H]1NCc1nc2ccccc2o1 ZINC000172481032 365328487 /nfs/dbraw/zinc/32/84/87/365328487.db2.gz LCPXBIYNZIYVJR-VXGBXAGGSA-N 0 3 244.338 3.496 20 0 BGADHN C[C@H]1CCCC[C@H]1NCc1nc2ccccc2o1 ZINC000172481038 365328382 /nfs/dbraw/zinc/32/83/82/365328382.db2.gz LCPXBIYNZIYVJR-NWDGAFQWSA-N 0 3 244.338 3.496 20 0 BGADHN COc1cccc(CN2CCCC[C@H]2C(C)C)n1 ZINC000172545219 365341724 /nfs/dbraw/zinc/34/17/24/365341724.db2.gz AQDYYRKXNUEIBJ-AWEZNQCLSA-N 0 3 248.370 3.101 20 0 BGADHN COc1cccc(CN2CCCC[C@@H]2C(C)C)n1 ZINC000172545222 365341045 /nfs/dbraw/zinc/34/10/45/365341045.db2.gz AQDYYRKXNUEIBJ-CQSZACIVSA-N 0 3 248.370 3.101 20 0 BGADHN Cc1cc(CN2CCSC[C@@H]2C)c(C)s1 ZINC000172587772 134268598 /nfs/dbraw/zinc/26/85/98/134268598.db2.gz IQMMLVRCLZUVGG-VIFPVBQESA-N 0 3 241.425 3.302 20 0 BGADHN Cc1cc(CN2CCSC[C@H]2C)c(C)s1 ZINC000172587774 134268337 /nfs/dbraw/zinc/26/83/37/134268337.db2.gz IQMMLVRCLZUVGG-SECBINFHSA-N 0 3 241.425 3.302 20 0 BGADHN C[C@@H]1CSCCN1C/C=C/c1ccccc1 ZINC000172590526 134268683 /nfs/dbraw/zinc/26/86/83/134268683.db2.gz DKLIECHGTCGLPL-OQHXTRMZSA-N 0 3 233.380 3.137 20 0 BGADHN C[C@H]1CSCCN1C/C=C/c1ccccc1 ZINC000172590530 134268446 /nfs/dbraw/zinc/26/84/46/134268446.db2.gz DKLIECHGTCGLPL-LJLILKBBSA-N 0 3 233.380 3.137 20 0 BGADHN CSc1ccc(CNCc2cccn2C)cc1 ZINC000172627770 365357992 /nfs/dbraw/zinc/35/79/92/365357992.db2.gz XHSGXMUAONHQMV-UHFFFAOYSA-N 0 3 246.379 3.037 20 0 BGADHN Cn1cccc1CNC1(c2ccccc2)CCC1 ZINC000172628603 365358649 /nfs/dbraw/zinc/35/86/49/365358649.db2.gz OWHBOWPGQAXOJW-UHFFFAOYSA-N 0 3 240.350 3.194 20 0 BGADHN CC(C)(NCc1cnc[nH]1)c1cccc(Cl)c1 ZINC000172631243 535250079 /nfs/dbraw/zinc/25/00/79/535250079.db2.gz OIOWUILQHSFOTN-UHFFFAOYSA-N 0 3 249.745 3.088 20 0 BGADHN CCCCCCN(C)Cc1cnc(C)s1 ZINC000172651306 641091431 /nfs/dbraw/zinc/09/14/31/641091431.db2.gz ZTLBAIFMMYOHHM-UHFFFAOYSA-N 0 3 226.389 3.464 20 0 BGADHN CCCN(Cc1ccon1)CC1CCCCC1 ZINC000172651939 398241328 /nfs/dbraw/zinc/24/13/28/398241328.db2.gz MURFWOCKCNPGOJ-UHFFFAOYSA-N 0 3 236.359 3.467 20 0 BGADHN CC(C)N(Cc1ccn(C(C)C)n1)C1CCC1 ZINC000172664041 398342197 /nfs/dbraw/zinc/34/21/97/398342197.db2.gz SKONUUTUZHCTJC-UHFFFAOYSA-N 0 3 235.375 3.227 20 0 BGADHN CC(C)N(Cc1cn2ccsc2n1)C1CCC1 ZINC000172664051 134267030 /nfs/dbraw/zinc/26/70/30/134267030.db2.gz QELZJDXNQXTAQZ-UHFFFAOYSA-N 0 3 249.383 3.159 20 0 BGADHN CC[C@@H](C)N(C)Cc1ccc(Br)o1 ZINC000172692771 398342441 /nfs/dbraw/zinc/34/24/41/398342441.db2.gz MMERUANXRZYQGD-MRVPVSSYSA-N 0 3 246.148 3.272 20 0 BGADHN CC[C@H](C)N(C)Cc1ccc(Br)o1 ZINC000172692775 171307722 /nfs/dbraw/zinc/30/77/22/171307722.db2.gz MMERUANXRZYQGD-QMMMGPOBSA-N 0 3 246.148 3.272 20 0 BGADHN CC[C@H](C)N1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000172693541 384120758 /nfs/dbraw/zinc/12/07/58/384120758.db2.gz KLBZHMZVNVSQFE-YDHLFZDLSA-N 0 3 233.355 3.247 20 0 BGADHN CCN(CCCSC)Cc1cccs1 ZINC000172719411 384624301 /nfs/dbraw/zinc/62/43/01/384624301.db2.gz FXULKWHSMAQXRP-UHFFFAOYSA-N 0 3 229.414 3.323 20 0 BGADHN CSCCCN(C)Cc1ccccc1F ZINC000172721992 384623847 /nfs/dbraw/zinc/62/38/47/384623847.db2.gz UKVBTROYQDVFJG-UHFFFAOYSA-N 0 3 227.348 3.011 20 0 BGADHN Cc1nc(C)c(CN2CCCC[C@@H]2C)s1 ZINC000172730032 388169660 /nfs/dbraw/zinc/16/96/60/388169660.db2.gz BDNAEPPKCMHAKN-VIFPVBQESA-N 0 3 224.373 3.134 20 0 BGADHN Cc1nc(C)c(CN2CCCC[C@H]2C)s1 ZINC000172730037 388169440 /nfs/dbraw/zinc/16/94/40/388169440.db2.gz BDNAEPPKCMHAKN-SECBINFHSA-N 0 3 224.373 3.134 20 0 BGADHN CCSCCN1CCC[C@H](C(F)(F)F)C1 ZINC000172732721 384518598 /nfs/dbraw/zinc/51/85/98/384518598.db2.gz YRUCZCXZZKOQRL-VIFPVBQESA-N 0 3 241.322 3.014 20 0 BGADHN CCSCCN1CCC[C@@H](C(F)(F)F)C1 ZINC000172732726 384518851 /nfs/dbraw/zinc/51/88/51/384518851.db2.gz YRUCZCXZZKOQRL-SECBINFHSA-N 0 3 241.322 3.014 20 0 BGADHN CCc1ccc([C@@H](C)NCCOCC2CC2)cc1 ZINC000172734290 384523631 /nfs/dbraw/zinc/52/36/31/384523631.db2.gz WRBLUZGEHOZJSO-CYBMUJFWSA-N 0 3 247.382 3.326 20 0 BGADHN CCc1ccc([C@H](C)NCCOCC2CC2)cc1 ZINC000172734296 384523979 /nfs/dbraw/zinc/52/39/79/384523979.db2.gz WRBLUZGEHOZJSO-ZDUSSCGKSA-N 0 3 247.382 3.326 20 0 BGADHN Cc1nc(C)c(CN(C)C2CCCC2)s1 ZINC000172740076 384623800 /nfs/dbraw/zinc/62/38/00/384623800.db2.gz ICUCAVGJOBBXNI-UHFFFAOYSA-N 0 3 224.373 3.134 20 0 BGADHN c1ccc(C2(NCCOCC3CC3)CCC2)cc1 ZINC000172742490 134269369 /nfs/dbraw/zinc/26/93/69/134269369.db2.gz YUVYUWGBGDCNIE-UHFFFAOYSA-N 0 3 245.366 3.082 20 0 BGADHN CN(CCOCC1CC1)[C@@H]1CCc2ccccc21 ZINC000172744286 384525269 /nfs/dbraw/zinc/52/52/69/384525269.db2.gz FLULWDJJZLXXEN-MRXNPFEDSA-N 0 3 245.366 3.032 20 0 BGADHN CN(CCOCC1CC1)[C@H]1CCc2ccccc21 ZINC000172744290 384525008 /nfs/dbraw/zinc/52/50/08/384525008.db2.gz FLULWDJJZLXXEN-INIZCTEOSA-N 0 3 245.366 3.032 20 0 BGADHN Cc1nc(C)c(CN(C(C)C)C2CC2)s1 ZINC000172746288 384622469 /nfs/dbraw/zinc/62/24/69/384622469.db2.gz VGYWQBWVEXPVTO-UHFFFAOYSA-N 0 3 224.373 3.133 20 0 BGADHN Cc1nc(C)c(CN(CC(C)C)C2CC2)s1 ZINC000172746716 384524468 /nfs/dbraw/zinc/52/44/68/384524468.db2.gz ZFCZCBVIRFKTPQ-UHFFFAOYSA-N 0 3 238.400 3.380 20 0 BGADHN CCCCN(CC)Cc1sc(C)nc1C ZINC000172747704 384624604 /nfs/dbraw/zinc/62/46/04/384624604.db2.gz OBCGZMGSXIEESV-UHFFFAOYSA-N 0 3 226.389 3.382 20 0 BGADHN Cc1ncc(CN(C)CCC2CCCC2)s1 ZINC000172755672 134269397 /nfs/dbraw/zinc/26/93/97/134269397.db2.gz JOUHWXDSCXHEBF-UHFFFAOYSA-N 0 3 238.400 3.464 20 0 BGADHN Cc1nc(C)c(CN(C)CCC(C)C)s1 ZINC000172756902 373066835 /nfs/dbraw/zinc/06/68/35/373066835.db2.gz ZGYUOQQRMQEZJE-UHFFFAOYSA-N 0 3 226.389 3.238 20 0 BGADHN Cc1nc(C)c(CN(C)CC2CCCC2)s1 ZINC000172766295 384528782 /nfs/dbraw/zinc/52/87/82/384528782.db2.gz NYJCDHXCMNZCPH-UHFFFAOYSA-N 0 3 238.400 3.382 20 0 BGADHN CCCN(Cc1sc(C)nc1C)C1CC1 ZINC000172781014 169182047 /nfs/dbraw/zinc/18/20/47/169182047.db2.gz PHHRXBKQQKMQRD-UHFFFAOYSA-N 0 3 224.373 3.134 20 0 BGADHN C[C@@H]1c2ccccc2CCN1CCOCC1CC1 ZINC000172796271 134269213 /nfs/dbraw/zinc/26/92/13/134269213.db2.gz DNCXSXNKBSTGHH-CYBMUJFWSA-N 0 3 245.366 3.032 20 0 BGADHN C[C@H]1c2ccccc2CCN1CCOCC1CC1 ZINC000172796277 134269472 /nfs/dbraw/zinc/26/94/72/134269472.db2.gz DNCXSXNKBSTGHH-ZDUSSCGKSA-N 0 3 245.366 3.032 20 0 BGADHN CCSCCN1CCc2ccccc2[C@@H]1C ZINC000172796284 346864296 /nfs/dbraw/zinc/86/42/96/346864296.db2.gz BXJZAVQYEMAFCL-LBPRGKRZSA-N 0 3 235.396 3.359 20 0 BGADHN CCSCCN1CCc2ccccc2[C@H]1C ZINC000172796292 365380709 /nfs/dbraw/zinc/38/07/09/365380709.db2.gz BXJZAVQYEMAFCL-GFCCVEGCSA-N 0 3 235.396 3.359 20 0 BGADHN Cc1ncsc1CN(C)CCC1CCCC1 ZINC000172798976 134269433 /nfs/dbraw/zinc/26/94/33/134269433.db2.gz ZFFWSLAHBKWXFJ-UHFFFAOYSA-N 0 3 238.400 3.464 20 0 BGADHN Cc1nc(C)c(CN2CCCC(C)(C)C2)s1 ZINC000172804238 384528211 /nfs/dbraw/zinc/52/82/11/384528211.db2.gz USVCDZVEPJMOKO-UHFFFAOYSA-N 0 3 238.400 3.382 20 0 BGADHN C[C@@H]1CCCN1c1ccnc2ccccc21 ZINC000172812447 176111460 /nfs/dbraw/zinc/11/14/60/176111460.db2.gz DCJLISCWCVGRBB-LLVKDONJSA-N 0 3 212.296 3.224 20 0 BGADHN C[C@H]1CCCN1c1ccnc2ccccc21 ZINC000172812453 177111853 /nfs/dbraw/zinc/11/18/53/177111853.db2.gz DCJLISCWCVGRBB-NSHDSACASA-N 0 3 212.296 3.224 20 0 BGADHN Cc1ncc(CN2CCC[C@H](C)[C@@H]2C)s1 ZINC000172857268 180143505 /nfs/dbraw/zinc/14/35/05/180143505.db2.gz TYGYNDZKVRHJFV-UWVGGRQHSA-N 0 3 224.373 3.072 20 0 BGADHN Cc1ncc(CN2CCC[C@@H](C)[C@@H]2C)s1 ZINC000172857273 180142064 /nfs/dbraw/zinc/14/20/64/180142064.db2.gz TYGYNDZKVRHJFV-ZJUUUORDSA-N 0 3 224.373 3.072 20 0 BGADHN C[C@@H]1CCCN(Cc2nc3ccccc3o2)[C@@H]1C ZINC000172859032 134270055 /nfs/dbraw/zinc/27/00/55/134270055.db2.gz AVKBHLNKZSDYKL-VXGBXAGGSA-N 0 3 244.338 3.448 20 0 BGADHN C[C@@H]1[C@@H](C)CCCN1Cc1nc2ccccc2o1 ZINC000172859038 134269928 /nfs/dbraw/zinc/26/99/28/134269928.db2.gz AVKBHLNKZSDYKL-NWDGAFQWSA-N 0 3 244.338 3.448 20 0 BGADHN CC(C)n1ccnc1CN1C[C@H](C)CCC[C@@H]1C ZINC000172873462 134270030 /nfs/dbraw/zinc/27/00/30/134270030.db2.gz HXMLOWYAKMXXNI-KGLIPLIRSA-N 0 3 249.402 3.475 20 0 BGADHN CC(C)n1ccnc1CN1C[C@@H](C)CCC[C@@H]1C ZINC000172873468 134270094 /nfs/dbraw/zinc/27/00/94/134270094.db2.gz HXMLOWYAKMXXNI-KBPBESRZSA-N 0 3 249.402 3.475 20 0 BGADHN CC(C)n1ccnc1CN1C[C@H](C)CCC[C@H]1C ZINC000172873472 134269673 /nfs/dbraw/zinc/26/96/73/134269673.db2.gz HXMLOWYAKMXXNI-ZIAGYGMSSA-N 0 3 249.402 3.475 20 0 BGADHN CC(C)n1ccnc1CN1C[C@@H](C)CCC[C@H]1C ZINC000172873476 134269909 /nfs/dbraw/zinc/26/99/09/134269909.db2.gz HXMLOWYAKMXXNI-UONOGXRCSA-N 0 3 249.402 3.475 20 0 BGADHN CC(C)n1ccc(CN2C[C@H](C)CCC[C@@H]2C)n1 ZINC000172875342 134269654 /nfs/dbraw/zinc/26/96/54/134269654.db2.gz KRBPDZFTPRKXEV-KGLIPLIRSA-N 0 3 249.402 3.475 20 0 BGADHN CC(C)n1ccc(CN2C[C@@H](C)CCC[C@@H]2C)n1 ZINC000172875347 134269644 /nfs/dbraw/zinc/26/96/44/134269644.db2.gz KRBPDZFTPRKXEV-KBPBESRZSA-N 0 3 249.402 3.475 20 0 BGADHN CC(C)n1ccc(CN2C[C@H](C)CCC[C@H]2C)n1 ZINC000172875352 134269867 /nfs/dbraw/zinc/26/98/67/134269867.db2.gz KRBPDZFTPRKXEV-ZIAGYGMSSA-N 0 3 249.402 3.475 20 0 BGADHN CC(C)n1ccc(CN2C[C@@H](C)CCC[C@H]2C)n1 ZINC000172875360 134269757 /nfs/dbraw/zinc/26/97/57/134269757.db2.gz KRBPDZFTPRKXEV-UONOGXRCSA-N 0 3 249.402 3.475 20 0 BGADHN CCSCCN1Cc2ccccc2C[C@@H]1C ZINC000172906451 365387567 /nfs/dbraw/zinc/38/75/67/365387567.db2.gz PAVRLHGDKGTCOS-LBPRGKRZSA-N 0 3 235.396 3.186 20 0 BGADHN CCSCCN1Cc2ccccc2C[C@H]1C ZINC000172906458 365387540 /nfs/dbraw/zinc/38/75/40/365387540.db2.gz PAVRLHGDKGTCOS-GFCCVEGCSA-N 0 3 235.396 3.186 20 0 BGADHN C[C@@H]1Cc2ccccc2CN1C[C@@H]1CCCCO1 ZINC000172907010 134270714 /nfs/dbraw/zinc/27/07/14/134270714.db2.gz QUUZVMDPIYQRQV-CJNGLKHVSA-N 0 3 245.366 3.002 20 0 BGADHN C[C@H]1Cc2ccccc2CN1C[C@@H]1CCCCO1 ZINC000172907017 134270870 /nfs/dbraw/zinc/27/08/70/134270870.db2.gz QUUZVMDPIYQRQV-BBRMVZONSA-N 0 3 245.366 3.002 20 0 BGADHN CC(C)n1ccnc1CN1CCCC(C)(C)CC1 ZINC000172914430 134270760 /nfs/dbraw/zinc/27/07/60/134270760.db2.gz WMKDUOLSUZTQBS-UHFFFAOYSA-N 0 3 249.402 3.476 20 0 BGADHN CC(C)n1ccc(CN2CCCC(C)(C)CC2)n1 ZINC000172915741 134270694 /nfs/dbraw/zinc/27/06/94/134270694.db2.gz YJGOXKFKRJVNIV-UHFFFAOYSA-N 0 3 249.402 3.476 20 0 BGADHN CC1(C)[C@@H]2CN(Cc3ccc(F)c(F)c3)C[C@@H]21 ZINC000172946743 365390556 /nfs/dbraw/zinc/39/05/56/365390556.db2.gz JFDXAAOEIDFPHY-PHIMTYICSA-N 0 3 237.293 3.053 20 0 BGADHN CN(CCCc1ccccc1)Cc1ccncc1 ZINC000172978754 384642441 /nfs/dbraw/zinc/64/24/41/384642441.db2.gz BQCRNYGZHZPCJH-UHFFFAOYSA-N 0 3 240.350 3.146 20 0 BGADHN C[C@@H](CN(C)Cc1ccncc1)c1ccccc1 ZINC000172980542 384641364 /nfs/dbraw/zinc/64/13/64/384641364.db2.gz JEXXZHZMTPEZIU-AWEZNQCLSA-N 0 3 240.350 3.317 20 0 BGADHN C[C@H](CN(C)Cc1ccncc1)c1ccccc1 ZINC000172980546 384642111 /nfs/dbraw/zinc/64/21/11/384642111.db2.gz JEXXZHZMTPEZIU-CQSZACIVSA-N 0 3 240.350 3.317 20 0 BGADHN CC(C)(C)C1CCN(Cc2ccncc2)CC1 ZINC000172983689 534559807 /nfs/dbraw/zinc/55/98/07/534559807.db2.gz ZHGJBRILTJQLMC-UHFFFAOYSA-N 0 3 232.371 3.340 20 0 BGADHN C[C@@H]1CCC[C@H](C)N(Cc2cscn2)C1 ZINC000172988761 134271825 /nfs/dbraw/zinc/27/18/25/134271825.db2.gz VQEHWFSHKPYXQH-MNOVXSKESA-N 0 3 224.373 3.154 20 0 BGADHN C[C@H]1CCC[C@H](C)N(Cc2cscn2)C1 ZINC000172988767 134271779 /nfs/dbraw/zinc/27/17/79/134271779.db2.gz VQEHWFSHKPYXQH-QWRGUYRKSA-N 0 3 224.373 3.154 20 0 BGADHN C[C@@H]1CCC[C@@H](C)N(Cc2cscn2)C1 ZINC000172988772 134271966 /nfs/dbraw/zinc/27/19/66/134271966.db2.gz VQEHWFSHKPYXQH-GHMZBOCLSA-N 0 3 224.373 3.154 20 0 BGADHN C[C@@H]1CCC[C@H](C)CN1Cc1cscn1 ZINC000172988777 134271741 /nfs/dbraw/zinc/27/17/41/134271741.db2.gz VQEHWFSHKPYXQH-WDEREUQCSA-N 0 3 224.373 3.154 20 0 BGADHN CCCN(CCC)Cc1nc(C)c(C)s1 ZINC000173189753 169151342 /nfs/dbraw/zinc/15/13/42/169151342.db2.gz GIZUQJZDLINMOV-UHFFFAOYSA-N 0 3 226.389 3.382 20 0 BGADHN CC(C)CN(CC(C)C)Cn1cc[nH]c1=S ZINC000173288401 641163429 /nfs/dbraw/zinc/16/34/29/641163429.db2.gz MGTQAQSRDNGJNX-UHFFFAOYSA-N 0 3 241.404 3.117 20 0 BGADHN Cc1cnc(CN(C(C)C)C2CCCC2)o1 ZINC000173292170 385551237 /nfs/dbraw/zinc/55/12/37/385551237.db2.gz UDGLMDTXKQSAED-UHFFFAOYSA-N 0 3 222.332 3.136 20 0 BGADHN C[C@H](NCc1cccc(CO)c1)c1ccccc1 ZINC000173394214 384678095 /nfs/dbraw/zinc/67/80/95/384678095.db2.gz XXQZKFMGTSFIHT-ZDUSSCGKSA-N 0 3 241.334 3.030 20 0 BGADHN C[C@@H](NCc1cccc(CO)c1)c1ccccc1 ZINC000173394231 384675483 /nfs/dbraw/zinc/67/54/83/384675483.db2.gz XXQZKFMGTSFIHT-CYBMUJFWSA-N 0 3 241.334 3.030 20 0 BGADHN CCn1cc(CN(C)CCC2CCCCC2)cn1 ZINC000173402220 536046022 /nfs/dbraw/zinc/04/60/22/536046022.db2.gz KXPNDKRBGMLFDQ-UHFFFAOYSA-N 0 3 249.402 3.305 20 0 BGADHN CC(C)(C)CCNC(C)(C)c1nccs1 ZINC000173416390 384217702 /nfs/dbraw/zinc/21/77/02/384217702.db2.gz XDKATGAAHUYQQP-UHFFFAOYSA-N 0 3 226.389 3.404 20 0 BGADHN CCCCCNC(C)(C)c1nccs1 ZINC000173417564 384219424 /nfs/dbraw/zinc/21/94/24/384219424.db2.gz KKDQHGLHKSMKTO-UHFFFAOYSA-N 0 3 212.362 3.158 20 0 BGADHN CC(C)(NCC1CCCC1)c1nccs1 ZINC000173420580 384219386 /nfs/dbraw/zinc/21/93/86/384219386.db2.gz WIJWDTKDEVZHBA-UHFFFAOYSA-N 0 3 224.373 3.158 20 0 BGADHN Cc1csc(C(C)(C)NCC2CCC2)n1 ZINC000173425951 384218341 /nfs/dbraw/zinc/21/83/41/384218341.db2.gz VLOWLFHETYYIAV-UHFFFAOYSA-N 0 3 224.373 3.076 20 0 BGADHN CCCCCNC(C)(C)c1nc(C)cs1 ZINC000173426770 384219116 /nfs/dbraw/zinc/21/91/16/384219116.db2.gz YMVCVXMLUMBVDN-UHFFFAOYSA-N 0 3 226.389 3.466 20 0 BGADHN CSCCCNC(C)(C)c1nc(C)cs1 ZINC000173429806 175486701 /nfs/dbraw/zinc/48/67/01/175486701.db2.gz IRIKYFRBRVCIAW-UHFFFAOYSA-N 0 3 244.429 3.029 20 0 BGADHN CN(CCC1CC1)Cc1ccccc1F ZINC000173451437 384680258 /nfs/dbraw/zinc/68/02/58/384680258.db2.gz KHUALJUTBBNDQK-UHFFFAOYSA-N 0 3 207.292 3.058 20 0 BGADHN CSCCCN1CCC[C@H](C(F)(F)F)C1 ZINC000173452099 134274263 /nfs/dbraw/zinc/27/42/63/134274263.db2.gz DGGJLKQDVDESCL-VIFPVBQESA-N 0 3 241.322 3.014 20 0 BGADHN CSCCCN1CCC[C@@H](C(F)(F)F)C1 ZINC000173452116 134274215 /nfs/dbraw/zinc/27/42/15/134274215.db2.gz DGGJLKQDVDESCL-SECBINFHSA-N 0 3 241.322 3.014 20 0 BGADHN CCCN(Cc1ccncc1Cl)CC1CC1 ZINC000173461124 528149618 /nfs/dbraw/zinc/14/96/18/528149618.db2.gz JHCMDAUOJYQDAE-UHFFFAOYSA-N 0 3 238.762 3.357 20 0 BGADHN COc1ccc(CN(C)CCC2CC2)cc1F ZINC000173476935 187305522 /nfs/dbraw/zinc/30/55/22/187305522.db2.gz RPOVKAGTDPHSLK-UHFFFAOYSA-N 0 3 237.318 3.066 20 0 BGADHN CSCCCN(C)Cc1cccc(F)c1 ZINC000173490477 384685911 /nfs/dbraw/zinc/68/59/11/384685911.db2.gz JGJBZRZFEJYVPY-UHFFFAOYSA-N 0 3 227.348 3.011 20 0 BGADHN C[C@@H]1C[C@H](C)CN(Cc2ccncc2Cl)C1 ZINC000173493621 229354217 /nfs/dbraw/zinc/35/42/17/229354217.db2.gz FEYSEWXZOLZVJX-PHIMTYICSA-N 0 3 238.762 3.213 20 0 BGADHN C[C@H]1C[C@H](C)CN(Cc2ccncc2Cl)C1 ZINC000173493636 229353945 /nfs/dbraw/zinc/35/39/45/229353945.db2.gz FEYSEWXZOLZVJX-QWRGUYRKSA-N 0 3 238.762 3.213 20 0 BGADHN C[C@@H]1C[C@@H](C)CN(Cc2ccncc2Cl)C1 ZINC000173493651 229353842 /nfs/dbraw/zinc/35/38/42/229353842.db2.gz FEYSEWXZOLZVJX-GHMZBOCLSA-N 0 3 238.762 3.213 20 0 BGADHN CC[C@](C)(NCC1CCC1)c1nccs1 ZINC000173498378 384227905 /nfs/dbraw/zinc/22/79/05/384227905.db2.gz DFPTUIADZOADLX-LBPRGKRZSA-N 0 3 224.373 3.158 20 0 BGADHN CC[C@@](C)(NCC1CCC1)c1nccs1 ZINC000173498392 171174337 /nfs/dbraw/zinc/17/43/37/171174337.db2.gz DFPTUIADZOADLX-GFCCVEGCSA-N 0 3 224.373 3.158 20 0 BGADHN CC[C@](C)(NCCCSC)c1nccs1 ZINC000173508085 384230148 /nfs/dbraw/zinc/23/01/48/384230148.db2.gz VJJLKHFZWQBWNR-NSHDSACASA-N 0 3 244.429 3.111 20 0 BGADHN CC[C@@](C)(NCCCSC)c1nccs1 ZINC000173508096 384229825 /nfs/dbraw/zinc/22/98/25/384229825.db2.gz VJJLKHFZWQBWNR-LLVKDONJSA-N 0 3 244.429 3.111 20 0 BGADHN CN(Cc1ccc(F)cc1F)CC1CCC1 ZINC000173517845 529988427 /nfs/dbraw/zinc/98/84/27/529988427.db2.gz LETYJLYDNPOGQQ-UHFFFAOYSA-N 0 3 225.282 3.197 20 0 BGADHN CN(CCC1CC1)Cc1ccc(F)cc1F ZINC000173517862 134275330 /nfs/dbraw/zinc/27/53/30/134275330.db2.gz HSWMDQBHSXYIBI-UHFFFAOYSA-N 0 3 225.282 3.197 20 0 BGADHN CN(CCC1CC1)Cc1ccc(F)c(F)c1 ZINC000173518052 134275592 /nfs/dbraw/zinc/27/55/92/134275592.db2.gz OTXVUHOMIJUQGB-UHFFFAOYSA-N 0 3 225.282 3.197 20 0 BGADHN CC[C@@H](O)CN(C)Cc1csc2ccccc12 ZINC000173524606 346871253 /nfs/dbraw/zinc/87/12/53/346871253.db2.gz QGVGJSWTSGMPIR-GFCCVEGCSA-N 0 3 249.379 3.104 20 0 BGADHN CCN(Cc1ccncc1Cl)C1CCCC1 ZINC000173533301 384688556 /nfs/dbraw/zinc/68/85/56/384688556.db2.gz KYRXVQJTTJXMNK-UHFFFAOYSA-N 0 3 238.762 3.500 20 0 BGADHN CCOc1ccccc1CN(C)CCC1CC1 ZINC000173548418 384231620 /nfs/dbraw/zinc/23/16/20/384231620.db2.gz KLKGMDNRWONQLS-UHFFFAOYSA-N 0 3 233.355 3.317 20 0 BGADHN c1coc(CN(CC2CCC2)C[C@@H]2CCCO2)c1 ZINC000173565799 384692188 /nfs/dbraw/zinc/69/21/88/384692188.db2.gz PFIWLRUMLJUWSC-HNNXBMFYSA-N 0 3 249.354 3.061 20 0 BGADHN c1coc(CN(CC2CCC2)C[C@H]2CCCO2)c1 ZINC000173565811 384692959 /nfs/dbraw/zinc/69/29/59/384692959.db2.gz PFIWLRUMLJUWSC-OAHLLOKOSA-N 0 3 249.354 3.061 20 0 BGADHN C[C@@H]1CN(CC2CCC2)C[C@H](c2ccccc2)O1 ZINC000173568671 384234540 /nfs/dbraw/zinc/23/45/40/384234540.db2.gz BNSVPGVGDBSECV-CZUORRHYSA-N 0 3 245.366 3.249 20 0 BGADHN C[C@H]1CN(CC2CCC2)C[C@H](c2ccccc2)O1 ZINC000173568682 384234564 /nfs/dbraw/zinc/23/45/64/384234564.db2.gz BNSVPGVGDBSECV-XJKSGUPXSA-N 0 3 245.366 3.249 20 0 BGADHN CCO[C@@H](CCNCc1ccc(C)o1)C(C)C ZINC000173570473 384690998 /nfs/dbraw/zinc/69/09/98/384690998.db2.gz PLLRAJCYGATSLE-AWEZNQCLSA-N 0 3 239.359 3.129 20 0 BGADHN CCO[C@H](CCNCc1ccc(C)o1)C(C)C ZINC000173570489 384692318 /nfs/dbraw/zinc/69/23/18/384692318.db2.gz PLLRAJCYGATSLE-CQSZACIVSA-N 0 3 239.359 3.129 20 0 BGADHN CSCCCN(C)[C@@H](C)c1ccco1 ZINC000173583332 384696817 /nfs/dbraw/zinc/69/68/17/384696817.db2.gz GEXQFOLTZBKFSP-JTQLQIEISA-N 0 3 213.346 3.026 20 0 BGADHN CSCCCN(C)[C@H](C)c1ccco1 ZINC000173583341 384696108 /nfs/dbraw/zinc/69/61/08/384696108.db2.gz GEXQFOLTZBKFSP-SNVBAGLBSA-N 0 3 213.346 3.026 20 0 BGADHN C[C@@H]1CO[C@H](c2ccccc2)CN1CC1CCC1 ZINC000173631432 384246373 /nfs/dbraw/zinc/24/63/73/384246373.db2.gz GQCOIIPUGWGCPX-CJNGLKHVSA-N 0 3 245.366 3.249 20 0 BGADHN C[C@H]1CO[C@H](c2ccccc2)CN1CC1CCC1 ZINC000173631447 384248056 /nfs/dbraw/zinc/24/80/56/384248056.db2.gz GQCOIIPUGWGCPX-BBRMVZONSA-N 0 3 245.366 3.249 20 0 BGADHN C[C@@H]1CO[C@@H](c2ccccc2)CN1CC1CCC1 ZINC000173631461 384248220 /nfs/dbraw/zinc/24/82/20/384248220.db2.gz GQCOIIPUGWGCPX-CZUORRHYSA-N 0 3 245.366 3.249 20 0 BGADHN C[C@H]1CO[C@@H](c2ccccc2)CN1CC1CCC1 ZINC000173631473 384246763 /nfs/dbraw/zinc/24/67/63/384246763.db2.gz GQCOIIPUGWGCPX-XJKSGUPXSA-N 0 3 245.366 3.249 20 0 BGADHN CCC[C@@H]1[C@H](C)CCCN1Cc1cc(C)on1 ZINC000173704123 535509946 /nfs/dbraw/zinc/50/99/46/535509946.db2.gz YFKUZOHZEFTWLG-BXUZGUMPSA-N 0 3 236.359 3.384 20 0 BGADHN CCC[C@H]1[C@H](C)CCCN1Cc1cc(C)on1 ZINC000173704138 134276701 /nfs/dbraw/zinc/27/67/01/134276701.db2.gz YFKUZOHZEFTWLG-RISCZKNCSA-N 0 3 236.359 3.384 20 0 BGADHN CCC[C@@H]1[C@@H](C)CCCN1Cc1cc(C)on1 ZINC000173704146 535507115 /nfs/dbraw/zinc/50/71/15/535507115.db2.gz YFKUZOHZEFTWLG-SMDDNHRTSA-N 0 3 236.359 3.384 20 0 BGADHN CCC[C@H]1[C@@H](C)CCCN1Cc1cc(C)on1 ZINC000173704159 134276402 /nfs/dbraw/zinc/27/64/02/134276402.db2.gz YFKUZOHZEFTWLG-FZMZJTMJSA-N 0 3 236.359 3.384 20 0 BGADHN CCC[C@@H]1[C@H](C)CCCN1Cc1cc(C)no1 ZINC000173705386 535510405 /nfs/dbraw/zinc/51/04/05/535510405.db2.gz PBVUSODEYGHJMV-BXUZGUMPSA-N 0 3 236.359 3.384 20 0 BGADHN CCC[C@H]1[C@H](C)CCCN1Cc1cc(C)no1 ZINC000173705397 134276427 /nfs/dbraw/zinc/27/64/27/134276427.db2.gz PBVUSODEYGHJMV-RISCZKNCSA-N 0 3 236.359 3.384 20 0 BGADHN CCC[C@@H]1[C@@H](C)CCCN1Cc1cc(C)no1 ZINC000173705409 535507391 /nfs/dbraw/zinc/50/73/91/535507391.db2.gz PBVUSODEYGHJMV-SMDDNHRTSA-N 0 3 236.359 3.384 20 0 BGADHN CCC[C@H]1[C@@H](C)CCCN1Cc1cc(C)no1 ZINC000173705421 134276649 /nfs/dbraw/zinc/27/66/49/134276649.db2.gz PBVUSODEYGHJMV-FZMZJTMJSA-N 0 3 236.359 3.384 20 0 BGADHN CCC[C@@H]1[C@H](C)CCCN1Cc1nccn1CC ZINC000173706177 535510031 /nfs/dbraw/zinc/51/00/31/535510031.db2.gz UGATZPHIKWOIQF-ZIAGYGMSSA-N 0 3 249.402 3.304 20 0 BGADHN CCC[C@H]1[C@H](C)CCCN1Cc1nccn1CC ZINC000173706189 134276768 /nfs/dbraw/zinc/27/67/68/134276768.db2.gz UGATZPHIKWOIQF-KGLIPLIRSA-N 0 3 249.402 3.304 20 0 BGADHN CCC[C@@H]1[C@@H](C)CCCN1Cc1nccn1CC ZINC000173706200 535507180 /nfs/dbraw/zinc/50/71/80/535507180.db2.gz UGATZPHIKWOIQF-UONOGXRCSA-N 0 3 249.402 3.304 20 0 BGADHN CCC[C@H]1[C@@H](C)CCCN1Cc1nccn1CC ZINC000173706211 134276721 /nfs/dbraw/zinc/27/67/21/134276721.db2.gz UGATZPHIKWOIQF-KBPBESRZSA-N 0 3 249.402 3.304 20 0 BGADHN CCC[C@@H]1[C@H](C)CCCN1Cc1ccon1 ZINC000173712237 535510002 /nfs/dbraw/zinc/51/00/02/535510002.db2.gz QPEBFWYPHLBGNR-DGCLKSJQSA-N 0 3 222.332 3.075 20 0 BGADHN CCC[C@H]1[C@H](C)CCCN1Cc1ccon1 ZINC000173712253 134274886 /nfs/dbraw/zinc/27/48/86/134274886.db2.gz QPEBFWYPHLBGNR-YPMHNXCESA-N 0 3 222.332 3.075 20 0 BGADHN CCC[C@@H]1[C@@H](C)CCCN1Cc1ccon1 ZINC000173712263 535506818 /nfs/dbraw/zinc/50/68/18/535506818.db2.gz QPEBFWYPHLBGNR-WCQYABFASA-N 0 3 222.332 3.075 20 0 BGADHN CCC[C@H]1[C@@H](C)CCCN1Cc1ccon1 ZINC000173712272 134274660 /nfs/dbraw/zinc/27/46/60/134274660.db2.gz QPEBFWYPHLBGNR-AAEUAGOBSA-N 0 3 222.332 3.075 20 0 BGADHN CC[C@@H]1CCCCCN1Cc1ncc(C)o1 ZINC000173785507 346873187 /nfs/dbraw/zinc/87/31/87/346873187.db2.gz VSOHXNWYDZCIHQ-GFCCVEGCSA-N 0 3 222.332 3.138 20 0 BGADHN CC[C@H]1CCCCCN1Cc1ncc(C)o1 ZINC000173785516 374043963 /nfs/dbraw/zinc/04/39/63/374043963.db2.gz VSOHXNWYDZCIHQ-LBPRGKRZSA-N 0 3 222.332 3.138 20 0 BGADHN Cc1noc(C)c1CN1CCC[C@H]2CCC[C@@H]21 ZINC000173806549 374090377 /nfs/dbraw/zinc/09/03/77/374090377.db2.gz DPQGQGPYENWTGF-OCCSQVGLSA-N 0 3 234.343 3.056 20 0 BGADHN Cc1noc(C)c1CN1CCC[C@@H]2CCC[C@@H]21 ZINC000173806567 374090486 /nfs/dbraw/zinc/09/04/86/374090486.db2.gz DPQGQGPYENWTGF-JSGCOSHPSA-N 0 3 234.343 3.056 20 0 BGADHN Cc1ncc(CN2CCC[C@H]3CCC[C@@H]32)s1 ZINC000173811961 374093327 /nfs/dbraw/zinc/09/33/27/374093327.db2.gz MWSNISJVCPMVDO-YPMHNXCESA-N 0 3 236.384 3.216 20 0 BGADHN Cc1ncc(CN2CCC[C@@H]3CCC[C@@H]32)s1 ZINC000173811975 374093400 /nfs/dbraw/zinc/09/34/00/374093400.db2.gz MWSNISJVCPMVDO-AAEUAGOBSA-N 0 3 236.384 3.216 20 0 BGADHN C[C@H](O)CCN(C)Cc1ccc2ccccc2c1 ZINC000173825934 384723695 /nfs/dbraw/zinc/72/36/95/384723695.db2.gz NAQHRNVSDHLNIF-ZDUSSCGKSA-N 0 3 243.350 3.043 20 0 BGADHN C[C@@H](O)CCN(C)Cc1ccc2ccccc2c1 ZINC000173825945 384724541 /nfs/dbraw/zinc/72/45/41/384724541.db2.gz NAQHRNVSDHLNIF-CYBMUJFWSA-N 0 3 243.350 3.043 20 0 BGADHN Cc1noc(C)c1CN1CCC(C(C)C)CC1 ZINC000173859561 384282456 /nfs/dbraw/zinc/28/24/56/384282456.db2.gz YUDGCVVQIXWRKA-UHFFFAOYSA-N 0 3 236.359 3.159 20 0 BGADHN Cc1ncc(CN2CCC(C(C)C)CC2)s1 ZINC000173862105 384282153 /nfs/dbraw/zinc/28/21/53/384282153.db2.gz QDTIPGDFXAWQJS-UHFFFAOYSA-N 0 3 238.400 3.320 20 0 BGADHN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cscn1 ZINC000173891837 365454150 /nfs/dbraw/zinc/45/41/50/365454150.db2.gz HNYPXVMKAHMPLF-MDZLAQPJSA-N 0 3 236.384 3.296 20 0 BGADHN C[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1cscn1 ZINC000173891863 365453740 /nfs/dbraw/zinc/45/37/40/365453740.db2.gz HNYPXVMKAHMPLF-WZRBSPASSA-N 0 3 236.384 3.296 20 0 BGADHN Cc1ncc(CN2CC[C@H](CC(C)C)C2)s1 ZINC000173906458 229366504 /nfs/dbraw/zinc/36/65/04/229366504.db2.gz OYJWZDHAKRDEOL-GFCCVEGCSA-N 0 3 238.400 3.320 20 0 BGADHN Cc1ncc(CN2CC[C@@H](CC(C)C)C2)s1 ZINC000173906472 229366723 /nfs/dbraw/zinc/36/67/23/229366723.db2.gz OYJWZDHAKRDEOL-LBPRGKRZSA-N 0 3 238.400 3.320 20 0 BGADHN Cc1noc(C)c1CN1CC[C@H](CC(C)C)C1 ZINC000173909389 134276583 /nfs/dbraw/zinc/27/65/83/134276583.db2.gz NRTFNOZKBKLZQV-CYBMUJFWSA-N 0 3 236.359 3.159 20 0 BGADHN Cc1noc(C)c1CN1CC[C@@H](CC(C)C)C1 ZINC000173909400 134276712 /nfs/dbraw/zinc/27/67/12/134276712.db2.gz NRTFNOZKBKLZQV-ZDUSSCGKSA-N 0 3 236.359 3.159 20 0 BGADHN CCOc1ccccc1CN(C)C1CCC1 ZINC000173920315 384735286 /nfs/dbraw/zinc/73/52/86/384735286.db2.gz HZLYXARDQTVDEP-UHFFFAOYSA-N 0 3 219.328 3.070 20 0 BGADHN CN(Cc1ccccc1Cl)C1CCC1 ZINC000173920332 365457114 /nfs/dbraw/zinc/45/71/14/365457114.db2.gz OVRAWSYHHNVTGD-UHFFFAOYSA-N 0 3 209.720 3.324 20 0 BGADHN CC[C@](C)(NCC1CCC1)c1nc(C)cs1 ZINC000173937086 384281168 /nfs/dbraw/zinc/28/11/68/384281168.db2.gz NLNJQWDOYKDAQJ-ZDUSSCGKSA-N 0 3 238.400 3.466 20 0 BGADHN CC[C@@](C)(NCC1CCC1)c1nc(C)cs1 ZINC000173937096 384281819 /nfs/dbraw/zinc/28/18/19/384281819.db2.gz NLNJQWDOYKDAQJ-CYBMUJFWSA-N 0 3 238.400 3.466 20 0 BGADHN CCCCNC(C)(C)c1nc(C)c(C)s1 ZINC000173953902 384291880 /nfs/dbraw/zinc/29/18/80/384291880.db2.gz YPNLIFABAJQTDZ-UHFFFAOYSA-N 0 3 226.389 3.385 20 0 BGADHN Cc1nc(C(C)(C)NCC2CCC2)sc1C ZINC000173954092 384293516 /nfs/dbraw/zinc/29/35/16/384293516.db2.gz KCRVJHHXYHKPJR-UHFFFAOYSA-N 0 3 238.400 3.385 20 0 BGADHN CCSCC[C@@H](C)N(C)Cc1ccccn1 ZINC000174040051 384747790 /nfs/dbraw/zinc/74/77/90/384747790.db2.gz QXPNTHWIDLVMFT-GFCCVEGCSA-N 0 3 238.400 3.045 20 0 BGADHN CCSCC[C@H](C)N(C)Cc1ccccn1 ZINC000174040065 384748239 /nfs/dbraw/zinc/74/82/39/384748239.db2.gz QXPNTHWIDLVMFT-LBPRGKRZSA-N 0 3 238.400 3.045 20 0 BGADHN CC(C)N(C)Cc1csc(Br)c1 ZINC000174129768 384757625 /nfs/dbraw/zinc/75/76/25/384757625.db2.gz OAZZUOXRRUJWAL-UHFFFAOYSA-N 0 3 248.189 3.351 20 0 BGADHN CCSCCN1CCC(C(F)(F)F)CC1 ZINC000174185968 384308461 /nfs/dbraw/zinc/30/84/61/384308461.db2.gz DWTIAYIVRMNAGY-UHFFFAOYSA-N 0 3 241.322 3.014 20 0 BGADHN CC[C@]1(C)CCCN(Cc2c(C)noc2C)C1 ZINC000174194659 134279594 /nfs/dbraw/zinc/27/95/94/134279594.db2.gz GGFSEXHYQMRGQS-CQSZACIVSA-N 0 3 236.359 3.304 20 0 BGADHN CC[C@@]1(C)CCCN(Cc2c(C)noc2C)C1 ZINC000174194672 536038960 /nfs/dbraw/zinc/03/89/60/536038960.db2.gz GGFSEXHYQMRGQS-AWEZNQCLSA-N 0 3 236.359 3.304 20 0 BGADHN CC[C@]1(C)CCCN(Cc2c(C)nn(C)c2C)C1 ZINC000174195531 134279674 /nfs/dbraw/zinc/27/96/74/134279674.db2.gz YVIQXIQUMKFSQM-OAHLLOKOSA-N 0 3 249.402 3.049 20 0 BGADHN CC[C@@]1(C)CCCN(Cc2c(C)nn(C)c2C)C1 ZINC000174195543 536037999 /nfs/dbraw/zinc/03/79/99/536037999.db2.gz YVIQXIQUMKFSQM-HNNXBMFYSA-N 0 3 249.402 3.049 20 0 BGADHN CC[C@]1(C)CCCN(Cc2cnc(C)s2)C1 ZINC000174198757 529395425 /nfs/dbraw/zinc/39/54/25/529395425.db2.gz OVCLAWPFUCVBMC-CYBMUJFWSA-N 0 3 238.400 3.464 20 0 BGADHN CC[C@@]1(C)CCCN(Cc2cnc(C)s2)C1 ZINC000174198769 529524135 /nfs/dbraw/zinc/52/41/35/529524135.db2.gz OVCLAWPFUCVBMC-ZDUSSCGKSA-N 0 3 238.400 3.464 20 0 BGADHN COc1ccc(CN2CCC(C)(C)C2)cc1F ZINC000174254712 134280199 /nfs/dbraw/zinc/28/01/99/134280199.db2.gz UYTBHUPJKPSKBX-UHFFFAOYSA-N 0 3 237.318 3.066 20 0 BGADHN CC1(C)CCN(Cc2ccc3ccccc3n2)C1 ZINC000174255971 535315811 /nfs/dbraw/zinc/31/58/11/535315811.db2.gz HJRBIJQNBWIERF-UHFFFAOYSA-N 0 3 240.350 3.467 20 0 BGADHN Cc1noc(C)c1CN1CCC2(CCCC2)C1 ZINC000174263531 134280002 /nfs/dbraw/zinc/28/00/02/134280002.db2.gz CUELYMMMVCZVSI-UHFFFAOYSA-N 0 3 234.343 3.058 20 0 BGADHN Cc1ncc(CN2CCC3(CCCC3)C2)s1 ZINC000174271991 134280064 /nfs/dbraw/zinc/28/00/64/134280064.db2.gz ZQJAFOWHVHBRRU-UHFFFAOYSA-N 0 3 236.384 3.218 20 0 BGADHN CC(C)(C)CCCCNCc1ccc(CO)o1 ZINC000174348451 384777360 /nfs/dbraw/zinc/77/73/60/384777360.db2.gz GJTXZOQYYDPEAP-UHFFFAOYSA-N 0 3 239.359 3.078 20 0 BGADHN CCC(C)(CC)NCc1cn2ccccc2n1 ZINC000174402331 168310582 /nfs/dbraw/zinc/31/05/82/168310582.db2.gz IGVUMSNQOWWPEL-UHFFFAOYSA-N 0 3 231.343 3.003 20 0 BGADHN C[C@@H](CCC(C)(C)C)NCc1ccc(CO)o1 ZINC000174410662 384324419 /nfs/dbraw/zinc/32/44/19/384324419.db2.gz XYLKHYSLYXGKGS-NSHDSACASA-N 0 3 239.359 3.076 20 0 BGADHN C[C@H](CCC(C)(C)C)NCc1ccc(CO)o1 ZINC000174410677 384324570 /nfs/dbraw/zinc/32/45/70/384324570.db2.gz XYLKHYSLYXGKGS-LLVKDONJSA-N 0 3 239.359 3.076 20 0 BGADHN C[C@@H]1CCCN1Cc1ccc(Cl)cc1 ZINC000174413225 384788114 /nfs/dbraw/zinc/78/81/14/384788114.db2.gz WJKQZYVTEMXPAP-SNVBAGLBSA-N 0 3 209.720 3.324 20 0 BGADHN CC(C)Oc1ccccc1CN1CCC[C@H]1C ZINC000174415410 384786235 /nfs/dbraw/zinc/78/62/35/384786235.db2.gz HAOKAKCPTOYCHS-CYBMUJFWSA-N 0 3 233.355 3.458 20 0 BGADHN CC(C)Oc1ccccc1CN1CCC[C@@H]1C ZINC000174415423 384788187 /nfs/dbraw/zinc/78/81/87/384788187.db2.gz HAOKAKCPTOYCHS-ZDUSSCGKSA-N 0 3 233.355 3.458 20 0 BGADHN CSc1ccc(CN2CCC[C@H]2C)cc1 ZINC000174416722 134282088 /nfs/dbraw/zinc/28/20/88/134282088.db2.gz VTXAVRXPYDNIHI-LLVKDONJSA-N 0 3 221.369 3.393 20 0 BGADHN CSc1ccc(CN2CCC[C@@H]2C)cc1 ZINC000174416734 384788418 /nfs/dbraw/zinc/78/84/18/384788418.db2.gz VTXAVRXPYDNIHI-NSHDSACASA-N 0 3 221.369 3.393 20 0 BGADHN C[C@@H]1CCCN1CCOc1ccccc1Cl ZINC000174417830 384787189 /nfs/dbraw/zinc/78/71/89/384787189.db2.gz QETZONLXPMJGTP-LLVKDONJSA-N 0 3 239.746 3.203 20 0 BGADHN C[C@H]1CCCN1CCOc1ccccc1Cl ZINC000174417844 134281726 /nfs/dbraw/zinc/28/17/26/134281726.db2.gz QETZONLXPMJGTP-NSHDSACASA-N 0 3 239.746 3.203 20 0 BGADHN CCOc1ccccc1CN1CCC[C@@H]1C ZINC000174418838 134281743 /nfs/dbraw/zinc/28/17/43/134281743.db2.gz HRFZNFQBFOHQGM-LBPRGKRZSA-N 0 3 219.328 3.070 20 0 BGADHN CCOc1ccccc1CN1CCC[C@H]1C ZINC000174418856 134282069 /nfs/dbraw/zinc/28/20/69/134282069.db2.gz HRFZNFQBFOHQGM-GFCCVEGCSA-N 0 3 219.328 3.070 20 0 BGADHN CC(C)(C)CCCNCc1cn2ccccc2n1 ZINC000174420230 345897195 /nfs/dbraw/zinc/89/71/95/345897195.db2.gz LBJMYHKPNBQXEV-UHFFFAOYSA-N 0 3 245.370 3.250 20 0 BGADHN CCN1CC[C@H](C)C[C@@H]1c1ccc(C)o1 ZINC000174438975 134282159 /nfs/dbraw/zinc/28/21/59/134282159.db2.gz WJALFLGGJCODNY-CMPLNLGQSA-N 0 3 207.317 3.381 20 0 BGADHN CCN1CC[C@@H](C)C[C@@H]1c1ccc(C)o1 ZINC000174438988 384791453 /nfs/dbraw/zinc/79/14/53/384791453.db2.gz WJALFLGGJCODNY-ZYHUDNBSSA-N 0 3 207.317 3.381 20 0 BGADHN C[C@@H]1CN(CC2CCC2)[C@H](c2ccccc2)CO1 ZINC000174457130 134281735 /nfs/dbraw/zinc/28/17/35/134281735.db2.gz HIFCQQGIBUEEPZ-CJNGLKHVSA-N 0 3 245.366 3.249 20 0 BGADHN C[C@H]1CN(CC2CCC2)[C@H](c2ccccc2)CO1 ZINC000174457144 384792749 /nfs/dbraw/zinc/79/27/49/384792749.db2.gz HIFCQQGIBUEEPZ-BBRMVZONSA-N 0 3 245.366 3.249 20 0 BGADHN Cc1ncc(CN2C[C@H](C)CC[C@@H]2C)s1 ZINC000174472997 180146972 /nfs/dbraw/zinc/14/69/72/180146972.db2.gz MJDBYXFNOTVAIN-ZJUUUORDSA-N 0 3 224.373 3.072 20 0 BGADHN Cc1ncc(CN2C[C@@H](C)CC[C@@H]2C)s1 ZINC000174473015 180145668 /nfs/dbraw/zinc/14/56/68/180145668.db2.gz MJDBYXFNOTVAIN-UWVGGRQHSA-N 0 3 224.373 3.072 20 0 BGADHN C[C@@H]1CCN(C[C@@H]2CCCO2)[C@H](c2ccco2)C1 ZINC000174507721 176171903 /nfs/dbraw/zinc/17/19/03/176171903.db2.gz KFVDHONTWCFIGL-RDBSUJKOSA-N 0 3 249.354 3.232 20 0 BGADHN C[C@H]1CCN(C[C@@H]2CCCO2)[C@H](c2ccco2)C1 ZINC000174507732 177162414 /nfs/dbraw/zinc/16/24/14/177162414.db2.gz KFVDHONTWCFIGL-IHRRRGAJSA-N 0 3 249.354 3.232 20 0 BGADHN COCCCN1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000174509325 174233188 /nfs/dbraw/zinc/23/31/88/174233188.db2.gz YHXWWZYBTYHIIQ-OLZOCXBDSA-N 0 3 237.343 3.089 20 0 BGADHN COCCCN1CC[C@H](C)C[C@H]1c1ccco1 ZINC000174509337 174233335 /nfs/dbraw/zinc/23/33/35/174233335.db2.gz YHXWWZYBTYHIIQ-STQMWFEESA-N 0 3 237.343 3.089 20 0 BGADHN CSCCN1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000174512509 384801086 /nfs/dbraw/zinc/80/10/86/384801086.db2.gz VVNPDONZDBHYAG-NEPJUHHUSA-N 0 3 239.384 3.416 20 0 BGADHN CSCCN1CC[C@H](C)C[C@H]1c1ccco1 ZINC000174512522 384799732 /nfs/dbraw/zinc/79/97/32/384799732.db2.gz VVNPDONZDBHYAG-RYUDHWBXSA-N 0 3 239.384 3.416 20 0 BGADHN Cc1ccc(CN[C@@H](C)CCc2cccn2C)o1 ZINC000174567933 384810747 /nfs/dbraw/zinc/81/07/47/384810747.db2.gz HAADSMBEYWSBTN-LBPRGKRZSA-N 0 3 246.354 3.037 20 0 BGADHN Cc1ccc(CN[C@H](C)CCc2cccn2C)o1 ZINC000174567945 178629122 /nfs/dbraw/zinc/62/91/22/178629122.db2.gz HAADSMBEYWSBTN-GFCCVEGCSA-N 0 3 246.354 3.037 20 0 BGADHN CCC(CC)(CC)NCc1cc(C)on1 ZINC000174801203 168317123 /nfs/dbraw/zinc/31/71/23/168317123.db2.gz GXWJRMJAKOUFCO-UHFFFAOYSA-N 0 3 210.321 3.041 20 0 BGADHN CCCN1CCN(CCC)C2(CCCCC2)C1 ZINC000174873403 134284986 /nfs/dbraw/zinc/28/49/86/134284986.db2.gz QRWPTQJXJDHBHN-UHFFFAOYSA-N 0 3 238.419 3.127 20 0 BGADHN C[C@@H](NCc1ncc[nH]1)[C@@H](C)C1CCCCC1 ZINC000174930137 365520593 /nfs/dbraw/zinc/52/05/93/365520593.db2.gz ZOBIPPILPYQWMY-VXGBXAGGSA-N 0 3 235.375 3.104 20 0 BGADHN C[C@@H](NCc1ncc[nH]1)[C@H](C)C1CCCCC1 ZINC000174930153 365519780 /nfs/dbraw/zinc/51/97/80/365519780.db2.gz ZOBIPPILPYQWMY-NWDGAFQWSA-N 0 3 235.375 3.104 20 0 BGADHN C[C@H](NCc1ncc[nH]1)[C@@H](C)C1CCCCC1 ZINC000174930171 365520017 /nfs/dbraw/zinc/52/00/17/365520017.db2.gz ZOBIPPILPYQWMY-NEPJUHHUSA-N 0 3 235.375 3.104 20 0 BGADHN C[C@@H]([C@H](C)NCc1ncc[nH]1)C1CCCCC1 ZINC000174930186 365520476 /nfs/dbraw/zinc/52/04/76/365520476.db2.gz ZOBIPPILPYQWMY-RYUDHWBXSA-N 0 3 235.375 3.104 20 0 BGADHN C[C@@H]1CN(CCOC(C)(C)C)[C@@H]1c1ccccc1 ZINC000174977525 384384499 /nfs/dbraw/zinc/38/44/99/384384499.db2.gz DYFNFEVDTBUYNX-HIFRSBDPSA-N 0 3 247.382 3.495 20 0 BGADHN C[C@H]1CN(CCOC(C)(C)C)[C@@H]1c1ccccc1 ZINC000174977542 384385189 /nfs/dbraw/zinc/38/51/89/384385189.db2.gz DYFNFEVDTBUYNX-ZFWWWQNUSA-N 0 3 247.382 3.495 20 0 BGADHN C[C@@H]1CN(CCOCC2CC2)[C@@H]1c1ccccc1 ZINC000174983530 384384690 /nfs/dbraw/zinc/38/46/90/384384690.db2.gz DYXZFOLRIOSTQP-CJNGLKHVSA-N 0 3 245.366 3.106 20 0 BGADHN C[C@H]1CN(CCOCC2CC2)[C@@H]1c1ccccc1 ZINC000174983552 384385320 /nfs/dbraw/zinc/38/53/20/384385320.db2.gz DYXZFOLRIOSTQP-BBRMVZONSA-N 0 3 245.366 3.106 20 0 BGADHN Cn1cccc1[C@@H]1CCCN1Cc1cccs1 ZINC000175006971 384857711 /nfs/dbraw/zinc/85/77/11/384857711.db2.gz JATLQOBNRGEMHL-AWEZNQCLSA-N 0 3 246.379 3.424 20 0 BGADHN Cn1cccc1[C@H]1CCCN1Cc1cccs1 ZINC000175006989 384856645 /nfs/dbraw/zinc/85/66/45/384856645.db2.gz JATLQOBNRGEMHL-CQSZACIVSA-N 0 3 246.379 3.424 20 0 BGADHN CCCCNC1(c2nccs2)CCCC1 ZINC000175009875 384384378 /nfs/dbraw/zinc/38/43/78/384384378.db2.gz AJJMRCJNVJFZPP-UHFFFAOYSA-N 0 3 224.373 3.302 20 0 BGADHN CC(C)CNC1(c2nccs2)CCCC1 ZINC000175013026 167002264 /nfs/dbraw/zinc/00/22/64/167002264.db2.gz VEFMUGKGIWQXKQ-UHFFFAOYSA-N 0 3 224.373 3.158 20 0 BGADHN C[C@@H](c1ccccc1)N(C)Cc1cccn1C ZINC000175015021 176019930 /nfs/dbraw/zinc/01/99/30/176019930.db2.gz NPPZOUQLRZZBQD-ZDUSSCGKSA-N 0 3 228.339 3.218 20 0 BGADHN C[C@H](c1ccccc1)N(C)Cc1cccn1C ZINC000175015041 177038882 /nfs/dbraw/zinc/03/88/82/177038882.db2.gz NPPZOUQLRZZBQD-CYBMUJFWSA-N 0 3 228.339 3.218 20 0 BGADHN Cc1csc(C2(NCC(C)C)CCCC2)n1 ZINC000175020987 384386067 /nfs/dbraw/zinc/38/60/67/384386067.db2.gz AYMFFDYCDIACSV-UHFFFAOYSA-N 0 3 238.400 3.466 20 0 BGADHN C[C@@H]1CCN(c2ccnc3ccccc32)[C@@H]1C ZINC000175058582 134284492 /nfs/dbraw/zinc/28/44/92/134284492.db2.gz GKDKTUWUUJPJMP-VXGBXAGGSA-N 0 3 226.323 3.470 20 0 BGADHN C[C@@H]1[C@@H](C)CCN1c1ccnc2ccccc21 ZINC000175058593 134284501 /nfs/dbraw/zinc/28/45/01/134284501.db2.gz GKDKTUWUUJPJMP-NWDGAFQWSA-N 0 3 226.323 3.470 20 0 BGADHN CCOCCN(CC)Cc1cc2ccccc2o1 ZINC000175173512 535584417 /nfs/dbraw/zinc/58/44/17/535584417.db2.gz WHKJQGAWLALRJG-UHFFFAOYSA-N 0 3 247.338 3.291 20 0 BGADHN CN(Cc1cc2ccccc2o1)C[C@@H]1CCCO1 ZINC000175182781 536461945 /nfs/dbraw/zinc/46/19/45/536461945.db2.gz HMSIKTVQGWMYLU-ZDUSSCGKSA-N 0 3 245.322 3.044 20 0 BGADHN CN(Cc1cc2ccccc2o1)C[C@H]1CCCO1 ZINC000175182803 536461954 /nfs/dbraw/zinc/46/19/54/536461954.db2.gz HMSIKTVQGWMYLU-CYBMUJFWSA-N 0 3 245.322 3.044 20 0 BGADHN Cn1cccc1CN1CCC[C@@H]1c1cccs1 ZINC000175254797 384886922 /nfs/dbraw/zinc/88/69/22/384886922.db2.gz GKLJSVQJAUVHEV-CYBMUJFWSA-N 0 3 246.379 3.424 20 0 BGADHN Cn1cccc1CN1CCC[C@H]1c1cccs1 ZINC000175254820 384886025 /nfs/dbraw/zinc/88/60/25/384886025.db2.gz GKLJSVQJAUVHEV-ZDUSSCGKSA-N 0 3 246.379 3.424 20 0 BGADHN CSCCN(C)Cc1cc2ccccc2o1 ZINC000175311091 384890468 /nfs/dbraw/zinc/89/04/68/384890468.db2.gz HRYTXCKNTYFJFK-UHFFFAOYSA-N 0 3 235.352 3.228 20 0 BGADHN C[C@H](NCCCCCCO)c1ccccc1F ZINC000175402467 384905989 /nfs/dbraw/zinc/90/59/89/384905989.db2.gz JWENQHALOFPLGH-LBPRGKRZSA-N 0 3 239.334 3.029 20 0 BGADHN C[C@@H](NCCCCCCO)c1ccccc1F ZINC000175402485 384905404 /nfs/dbraw/zinc/90/54/04/384905404.db2.gz JWENQHALOFPLGH-GFCCVEGCSA-N 0 3 239.334 3.029 20 0 BGADHN CCc1cnc(CN(C)C[Si](C)(C)C)s1 ZINC000175527637 642691576 /nfs/dbraw/zinc/69/15/76/642691576.db2.gz AKDRAEOLMYLMRL-UHFFFAOYSA-N 0 3 242.464 3.015 20 0 BGADHN CCC(CC)(CC)NCc1cc(C)no1 ZINC000175673772 384472490 /nfs/dbraw/zinc/47/24/90/384472490.db2.gz OYDZKPWUWRXUPI-UHFFFAOYSA-N 0 3 210.321 3.041 20 0 BGADHN Clc1ccc2c(c1)CC[C@@H]2NCc1cc[nH]c1 ZINC000175702503 410733864 /nfs/dbraw/zinc/73/38/64/410733864.db2.gz LGUJNCJYINAVBY-AWEZNQCLSA-N 0 3 246.741 3.445 20 0 BGADHN Clc1ccc2c(c1)CC[C@H]2NCc1cc[nH]c1 ZINC000175702522 397837623 /nfs/dbraw/zinc/83/76/23/397837623.db2.gz LGUJNCJYINAVBY-CQSZACIVSA-N 0 3 246.741 3.445 20 0 BGADHN Clc1cccc2c1CC[C@@H]2NCc1cc[nH]c1 ZINC000175702548 397837717 /nfs/dbraw/zinc/83/77/17/397837717.db2.gz ZUNBQEXNVOXOIR-AWEZNQCLSA-N 0 3 246.741 3.445 20 0 BGADHN Clc1cccc2c1CC[C@H]2NCc1cc[nH]c1 ZINC000175702569 397837742 /nfs/dbraw/zinc/83/77/42/397837742.db2.gz ZUNBQEXNVOXOIR-CQSZACIVSA-N 0 3 246.741 3.445 20 0 BGADHN c1cc(CN[C@@H]2CCCOc3ccccc32)c[nH]1 ZINC000175703566 384947173 /nfs/dbraw/zinc/94/71/73/384947173.db2.gz NGBURHYIIXEPEG-CQSZACIVSA-N 0 3 242.322 3.018 20 0 BGADHN c1cc(CN[C@H]2CCCOc3ccccc32)c[nH]1 ZINC000175703586 188340817 /nfs/dbraw/zinc/34/08/17/188340817.db2.gz NGBURHYIIXEPEG-AWEZNQCLSA-N 0 3 242.322 3.018 20 0 BGADHN CC(C)(NCc1cc[nH]c1)c1ccc(F)cc1 ZINC000175706316 642713030 /nfs/dbraw/zinc/71/30/30/642713030.db2.gz HLLLOZJGQBLZCZ-UHFFFAOYSA-N 0 3 232.302 3.179 20 0 BGADHN Cc1cc(C)cc([C@@H](C)NCc2cc[nH]c2)c1 ZINC000175707979 384946763 /nfs/dbraw/zinc/94/67/63/384946763.db2.gz JZQUWXKRPFKQNU-CYBMUJFWSA-N 0 3 228.339 3.482 20 0 BGADHN Cc1cc(C)cc([C@H](C)NCc2cc[nH]c2)c1 ZINC000175707998 384947712 /nfs/dbraw/zinc/94/77/12/384947712.db2.gz JZQUWXKRPFKQNU-ZDUSSCGKSA-N 0 3 228.339 3.482 20 0 BGADHN Cc1c2ccccc2oc1CNCc1cc[nH]c1 ZINC000175710564 384946525 /nfs/dbraw/zinc/94/65/25/384946525.db2.gz HCORQDMGCNDGNT-UHFFFAOYSA-N 0 3 240.306 3.359 20 0 BGADHN CCN(CCc1ccccc1)Cc1ccncc1 ZINC000175753751 384954536 /nfs/dbraw/zinc/95/45/36/384954536.db2.gz HMQSWEQOSHSBOA-UHFFFAOYSA-N 0 3 240.350 3.146 20 0 BGADHN CCCN(CCC)Cc1nc2ccccc2o1 ZINC000175872311 585029068 /nfs/dbraw/zinc/02/90/68/585029068.db2.gz DPMWACWZZHBVKY-UHFFFAOYSA-N 0 3 232.327 3.450 20 0 BGADHN CCC[C@@H](C)NCc1cc(F)ccc1OC ZINC000175967744 384524255 /nfs/dbraw/zinc/52/42/55/384524255.db2.gz ZAIXHWHCQFMAHI-SNVBAGLBSA-N 0 3 225.307 3.113 20 0 BGADHN CCC[C@H](C)NCc1cc(F)ccc1OC ZINC000175967756 384524648 /nfs/dbraw/zinc/52/46/48/384524648.db2.gz ZAIXHWHCQFMAHI-JTQLQIEISA-N 0 3 225.307 3.113 20 0 BGADHN CCCCN(CC)[C@@H](C)C(=O)Nc1ccccc1 ZINC000176037930 388449728 /nfs/dbraw/zinc/44/97/28/388449728.db2.gz WDKSJWGUJKZSAX-ZDUSSCGKSA-N 0 3 248.370 3.136 20 0 BGADHN CCCCN(CC)[C@H](C)C(=O)Nc1ccccc1 ZINC000176037948 388449526 /nfs/dbraw/zinc/44/95/26/388449526.db2.gz WDKSJWGUJKZSAX-CYBMUJFWSA-N 0 3 248.370 3.136 20 0 BGADHN CCCN(Cc1nc2ccccc2[nH]1)CC1CC1 ZINC000176108425 134290607 /nfs/dbraw/zinc/29/06/07/134290607.db2.gz OXQJIORZYMMOMJ-UHFFFAOYSA-N 0 3 243.354 3.185 20 0 BGADHN Fc1ccc(F)c(CN2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000176261282 365702698 /nfs/dbraw/zinc/70/26/98/365702698.db2.gz JKTBIEOTZSRCRD-PHIMTYICSA-N 0 3 237.293 3.197 20 0 BGADHN Fc1ccc(F)c(CN2C[C@H]3CCC[C@@H]3C2)c1 ZINC000176261300 365702854 /nfs/dbraw/zinc/70/28/54/365702854.db2.gz JKTBIEOTZSRCRD-GHMZBOCLSA-N 0 3 237.293 3.197 20 0 BGADHN Fc1ccc(F)c(CN2C[C@@H]3CCC[C@H]3C2)c1 ZINC000176261311 365702293 /nfs/dbraw/zinc/70/22/93/365702293.db2.gz JKTBIEOTZSRCRD-QWRGUYRKSA-N 0 3 237.293 3.197 20 0 BGADHN CSc1cc(C)ccc1CNCc1cc[nH]c1 ZINC000176290232 385056032 /nfs/dbraw/zinc/05/60/32/385056032.db2.gz LWNLOUZOOKHHJN-UHFFFAOYSA-N 0 3 246.379 3.335 20 0 BGADHN CCOC[C@@H]1CCN(C/C=C/c2ccccc2)C1 ZINC000176311900 385063012 /nfs/dbraw/zinc/06/30/12/385063012.db2.gz JKFNJVKOBYSAMD-YXMGTMDOSA-N 0 3 245.366 3.058 20 0 BGADHN CCOC[C@H]1CCN(C/C=C/c2ccccc2)C1 ZINC000176311917 385062959 /nfs/dbraw/zinc/06/29/59/385062959.db2.gz JKFNJVKOBYSAMD-FSNWXROXSA-N 0 3 245.366 3.058 20 0 BGADHN Cc1nc(CN(C)C2CCCC2)sc1C ZINC000176319094 385062717 /nfs/dbraw/zinc/06/27/17/385062717.db2.gz YOJBBXXQYJSJRL-UHFFFAOYSA-N 0 3 224.373 3.134 20 0 BGADHN CN(CCOCc1ccccc1)[C@H]1C=CCCC1 ZINC000176322719 388451478 /nfs/dbraw/zinc/45/14/78/388451478.db2.gz WXDZQVSUORYHCH-INIZCTEOSA-N 0 3 245.366 3.244 20 0 BGADHN CN(CCOCc1ccccc1)[C@@H]1C=CCCC1 ZINC000176322738 388451736 /nfs/dbraw/zinc/45/17/36/388451736.db2.gz WXDZQVSUORYHCH-MRXNPFEDSA-N 0 3 245.366 3.244 20 0 BGADHN CCN(Cc1nc(C)c(C)s1)CC(C)C ZINC000176323968 346908333 /nfs/dbraw/zinc/90/83/33/346908333.db2.gz IDLMAXVVPFXLBC-UHFFFAOYSA-N 0 3 226.389 3.238 20 0 BGADHN Cc1csc(CN(CC(C)C)C(C)C)n1 ZINC000176332078 385065904 /nfs/dbraw/zinc/06/59/04/385065904.db2.gz RFSYZROLYWJKGE-UHFFFAOYSA-N 0 3 226.389 3.318 20 0 BGADHN Cc1nc(CN(C)CC2CCCC2)sc1C ZINC000176342970 384615216 /nfs/dbraw/zinc/61/52/16/384615216.db2.gz GUMXYIPCOWTSKS-UHFFFAOYSA-N 0 3 238.400 3.382 20 0 BGADHN Cc1nc(CN2C[C@H](C)CC[C@@H]2C)sc1C ZINC000176387027 384619781 /nfs/dbraw/zinc/61/97/81/384619781.db2.gz RMNZRDPCDTVPBP-ZJUUUORDSA-N 0 3 238.400 3.380 20 0 BGADHN Cc1nc(CN2C[C@@H](C)CC[C@@H]2C)sc1C ZINC000176387041 384619194 /nfs/dbraw/zinc/61/91/94/384619194.db2.gz RMNZRDPCDTVPBP-UWVGGRQHSA-N 0 3 238.400 3.380 20 0 BGADHN COc1ncccc1CN(C)C1CCCCCC1 ZINC000176454359 134291652 /nfs/dbraw/zinc/29/16/52/134291652.db2.gz RNKCAFDGQVNCBQ-UHFFFAOYSA-N 0 3 248.370 3.245 20 0 BGADHN COc1ncccc1CN(C)C1CCC(C)CC1 ZINC000176455315 346911100 /nfs/dbraw/zinc/91/11/00/346911100.db2.gz LTHVEQIHRJMXJW-UHFFFAOYSA-N 0 3 248.370 3.101 20 0 BGADHN COc1ncccc1CN(C(C)C)C1CCCC1 ZINC000176459474 388453771 /nfs/dbraw/zinc/45/37/71/388453771.db2.gz BGCIRMSAYDXGJM-UHFFFAOYSA-N 0 3 248.370 3.243 20 0 BGADHN CCc1ccc([C@@H](C)NCC2=CCCOC2)cc1 ZINC000176823898 346553275 /nfs/dbraw/zinc/55/32/75/346553275.db2.gz NAMSRHIGKOODEZ-CYBMUJFWSA-N 0 3 245.366 3.246 20 0 BGADHN CCc1ccc([C@H](C)NCC2=CCCOC2)cc1 ZINC000176823910 346552802 /nfs/dbraw/zinc/55/28/02/346552802.db2.gz NAMSRHIGKOODEZ-ZDUSSCGKSA-N 0 3 245.366 3.246 20 0 BGADHN CCCCN1CCC[C@H](C(F)(F)F)C1 ZINC000176881696 365923390 /nfs/dbraw/zinc/92/33/90/365923390.db2.gz HLVAGVUHXXMJNR-VIFPVBQESA-N 0 3 209.255 3.061 20 0 BGADHN CCCCN1CCC[C@@H](C(F)(F)F)C1 ZINC000176881712 487687919 /nfs/dbraw/zinc/68/79/19/487687919.db2.gz HLVAGVUHXXMJNR-SECBINFHSA-N 0 3 209.255 3.061 20 0 BGADHN CCCCCN1CCC[C@H](C(F)(F)F)C1 ZINC000176881740 385258274 /nfs/dbraw/zinc/25/82/74/385258274.db2.gz ZOETZEKBSUSAHY-JTQLQIEISA-N 0 3 223.282 3.451 20 0 BGADHN CCCCCN1CCC[C@@H](C(F)(F)F)C1 ZINC000176881758 385257063 /nfs/dbraw/zinc/25/70/63/385257063.db2.gz ZOETZEKBSUSAHY-SNVBAGLBSA-N 0 3 223.282 3.451 20 0 BGADHN Cc1ccc2nc(CN[C@@H](C)C(C)(C)C)cn2c1 ZINC000176926787 385157264 /nfs/dbraw/zinc/15/72/64/385157264.db2.gz UNWQEVOWFFESNM-LBPRGKRZSA-N 0 3 245.370 3.167 20 0 BGADHN Cc1ccc2nc(CN[C@H](C)C(C)(C)C)cn2c1 ZINC000176926800 385161437 /nfs/dbraw/zinc/16/14/37/385161437.db2.gz UNWQEVOWFFESNM-GFCCVEGCSA-N 0 3 245.370 3.167 20 0 BGADHN CSCCN(CCC(F)(F)F)CC1CC1 ZINC000176927145 365929153 /nfs/dbraw/zinc/92/91/53/365929153.db2.gz AQXWJJNAUGTSJB-UHFFFAOYSA-N 0 3 241.322 3.014 20 0 BGADHN Cl/C=C/CN1CCS[C@@H]2CCCC[C@H]21 ZINC000176928702 643421700 /nfs/dbraw/zinc/42/17/00/643421700.db2.gz BKSMWQDEPQYEOJ-NNPIPJJVSA-N 0 3 231.792 3.099 20 0 BGADHN Cl/C=C/CN1CCS[C@@H]2CCCC[C@@H]21 ZINC000176928724 632626903 /nfs/dbraw/zinc/62/69/03/632626903.db2.gz BKSMWQDEPQYEOJ-YBGSMITQSA-N 0 3 231.792 3.099 20 0 BGADHN CSCCN1CCSC2(CCCCC2)C1 ZINC000176928971 365929646 /nfs/dbraw/zinc/92/96/46/365929646.db2.gz NHVBZOVDNZWGRI-UHFFFAOYSA-N 0 3 245.457 3.101 20 0 BGADHN CN(Cc1nc2cc(F)ccc2o1)C1CCCC1 ZINC000176958720 365938549 /nfs/dbraw/zinc/93/85/49/365938549.db2.gz XJKOWDDADRKAAB-UHFFFAOYSA-N 0 3 248.301 3.341 20 0 BGADHN CC(C)=CCN[C@@H](C)c1ccc(F)cc1 ZINC000176973631 384834806 /nfs/dbraw/zinc/83/48/06/384834806.db2.gz XVARSGPINMNJQK-NSHDSACASA-N 0 3 207.292 3.443 20 0 BGADHN CC(C)=CCN[C@H](C)c1ccc(F)cc1 ZINC000176973652 384834469 /nfs/dbraw/zinc/83/44/69/384834469.db2.gz XVARSGPINMNJQK-LLVKDONJSA-N 0 3 207.292 3.443 20 0 BGADHN CCCC[C@@H](CCC)NCc1ccc(CO)o1 ZINC000176991051 357389666 /nfs/dbraw/zinc/38/96/66/357389666.db2.gz PGENKDHIJSNIAA-GFCCVEGCSA-N 0 3 239.359 3.220 20 0 BGADHN CCCC[C@H](CCC)NCc1ccc(CO)o1 ZINC000176991064 169001743 /nfs/dbraw/zinc/00/17/43/169001743.db2.gz PGENKDHIJSNIAA-LBPRGKRZSA-N 0 3 239.359 3.220 20 0 BGADHN CCN(Cc1ccccn1)[C@H]1C=CCCC1 ZINC000177005430 346919991 /nfs/dbraw/zinc/91/99/91/346919991.db2.gz IYRITXBIBUTPPX-AWEZNQCLSA-N 0 3 216.328 3.012 20 0 BGADHN CCN(Cc1ccccn1)[C@@H]1C=CCCC1 ZINC000177005447 346920193 /nfs/dbraw/zinc/92/01/93/346920193.db2.gz IYRITXBIBUTPPX-CQSZACIVSA-N 0 3 216.328 3.012 20 0 BGADHN CC(C)CCN(C)Cc1cc(Cl)cn1C ZINC000177010675 388470617 /nfs/dbraw/zinc/47/06/17/388470617.db2.gz BXJHTWVEXAXQQQ-UHFFFAOYSA-N 0 3 228.767 3.156 20 0 BGADHN CN(Cc1cc(Cl)cn1C)[C@H]1C=CCCC1 ZINC000177017238 388470764 /nfs/dbraw/zinc/47/07/64/388470764.db2.gz PUNRTDYYKVCJRD-LBPRGKRZSA-N 0 3 238.762 3.219 20 0 BGADHN CN(Cc1cc(Cl)cn1C)[C@@H]1C=CCCC1 ZINC000177017251 388471049 /nfs/dbraw/zinc/47/10/49/388471049.db2.gz PUNRTDYYKVCJRD-GFCCVEGCSA-N 0 3 238.762 3.219 20 0 BGADHN CCCN(Cc1cncn1C)CC1CCCCC1 ZINC000177020472 134293467 /nfs/dbraw/zinc/29/34/67/134293467.db2.gz SCRJFUCDQZMJMY-UHFFFAOYSA-N 0 3 249.402 3.212 20 0 BGADHN C[C@@H](c1ccccn1)N(C)CCc1ccccc1 ZINC000177032852 176025811 /nfs/dbraw/zinc/02/58/11/176025811.db2.gz RXGJGQYXOQGFMV-AWEZNQCLSA-N 0 3 240.350 3.317 20 0 BGADHN C[C@H](c1ccccn1)N(C)CCc1ccccc1 ZINC000177032864 177043169 /nfs/dbraw/zinc/04/31/69/177043169.db2.gz RXGJGQYXOQGFMV-CQSZACIVSA-N 0 3 240.350 3.317 20 0 BGADHN CC(C)CCN(C)[C@@H](C)c1ccccn1 ZINC000177037095 134294328 /nfs/dbraw/zinc/29/43/28/134294328.db2.gz FKFJCSTUCUMLED-LBPRGKRZSA-N 0 3 206.333 3.121 20 0 BGADHN CC(C)CCN(C)[C@H](C)c1ccccn1 ZINC000177037115 134294134 /nfs/dbraw/zinc/29/41/34/134294134.db2.gz FKFJCSTUCUMLED-GFCCVEGCSA-N 0 3 206.333 3.121 20 0 BGADHN C[C@@H](Cc1ccsc1)N(C)Cc1cccnc1 ZINC000177047184 365960745 /nfs/dbraw/zinc/96/07/45/365960745.db2.gz AMUIUSMINIFESI-LBPRGKRZSA-N 0 3 246.379 3.206 20 0 BGADHN C[C@H](Cc1ccsc1)N(C)Cc1cccnc1 ZINC000177047199 365960148 /nfs/dbraw/zinc/96/01/48/365960148.db2.gz AMUIUSMINIFESI-GFCCVEGCSA-N 0 3 246.379 3.206 20 0 BGADHN CC1(C)CCCN1Cc1nc2cc(F)ccc2o1 ZINC000177056056 134294114 /nfs/dbraw/zinc/29/41/14/134294114.db2.gz LCVYBZGHZFXBCL-UHFFFAOYSA-N 0 3 248.301 3.341 20 0 BGADHN CSCCN1C[C@@H](C)[C@H]1c1ccccc1 ZINC000177073986 385178930 /nfs/dbraw/zinc/17/89/30/385178930.db2.gz RAPZOIPFRZHEEF-YPMHNXCESA-N 0 3 221.369 3.042 20 0 BGADHN CSCCN1C[C@H](C)[C@H]1c1ccccc1 ZINC000177074003 385176879 /nfs/dbraw/zinc/17/68/79/385176879.db2.gz RAPZOIPFRZHEEF-AAEUAGOBSA-N 0 3 221.369 3.042 20 0 BGADHN Cn1cncc1CN1CCC[C@@H](C(C)(C)C)CC1 ZINC000177081363 134297003 /nfs/dbraw/zinc/29/70/03/134297003.db2.gz DASKKQODASCBMK-CYBMUJFWSA-N 0 3 249.402 3.068 20 0 BGADHN Cn1cncc1CN1CCC[C@H](C(C)(C)C)CC1 ZINC000177081379 134297132 /nfs/dbraw/zinc/29/71/32/134297132.db2.gz DASKKQODASCBMK-ZDUSSCGKSA-N 0 3 249.402 3.068 20 0 BGADHN Cc1cccc2nc(CN3[C@H](C)CC[C@@H]3C)cn21 ZINC000177096916 388475595 /nfs/dbraw/zinc/47/55/95/388475595.db2.gz ZRQTYKWCGYAFTI-BETUJISGSA-N 0 3 243.354 3.016 20 0 BGADHN Cc1cccc2nc(CN3[C@@H](C)CC[C@@H]3C)cn21 ZINC000177096926 388475211 /nfs/dbraw/zinc/47/52/11/388475211.db2.gz ZRQTYKWCGYAFTI-STQMWFEESA-N 0 3 243.354 3.016 20 0 BGADHN Cc1cccc2nc(CN3[C@H](C)CC[C@H]3C)cn21 ZINC000177096940 388475564 /nfs/dbraw/zinc/47/55/64/388475564.db2.gz ZRQTYKWCGYAFTI-CHWSQXEVSA-N 0 3 243.354 3.016 20 0 BGADHN Cc1cc(CN2CCCC[C@@H]2CC(C)C)on1 ZINC000177107675 134295668 /nfs/dbraw/zinc/29/56/68/134295668.db2.gz VDGKKLHVFTUIGN-CYBMUJFWSA-N 0 3 236.359 3.384 20 0 BGADHN Cc1cc(CN2CCCC[C@H]2CC(C)C)on1 ZINC000177107691 134295570 /nfs/dbraw/zinc/29/55/70/134295570.db2.gz VDGKKLHVFTUIGN-ZDUSSCGKSA-N 0 3 236.359 3.384 20 0 BGADHN c1csc(C2(NCC3CCC3)CCCC2)n1 ZINC000177165569 397789547 /nfs/dbraw/zinc/78/95/47/397789547.db2.gz GFRMGGYGXDXXIM-UHFFFAOYSA-N 0 3 236.384 3.302 20 0 BGADHN C[C@@H](c1ccccn1)N1CCCC(C)(C)C1 ZINC000177167180 176028251 /nfs/dbraw/zinc/02/82/51/176028251.db2.gz VIFKESVKWTWJEN-LBPRGKRZSA-N 0 3 218.344 3.265 20 0 BGADHN C[C@H](c1ccccn1)N1CCCC(C)(C)C1 ZINC000177167193 177043477 /nfs/dbraw/zinc/04/34/77/177043477.db2.gz VIFKESVKWTWJEN-GFCCVEGCSA-N 0 3 218.344 3.265 20 0 BGADHN CC(C)(CCc1ccccc1)NCc1ccon1 ZINC000177186540 187306920 /nfs/dbraw/zinc/30/69/20/187306920.db2.gz PPEKYWLGXACYDH-UHFFFAOYSA-N 0 3 244.338 3.176 20 0 BGADHN CSCCCN1CCS[C@H]2CCCC[C@@H]21 ZINC000177188841 346923402 /nfs/dbraw/zinc/92/34/02/346923402.db2.gz QAZJORVCBKPJLN-RYUDHWBXSA-N 0 3 245.457 3.100 20 0 BGADHN CSCCCN1CCS[C@@H]2CCCC[C@@H]21 ZINC000177188856 134296454 /nfs/dbraw/zinc/29/64/54/134296454.db2.gz QAZJORVCBKPJLN-NWDGAFQWSA-N 0 3 245.457 3.100 20 0 BGADHN CCSCCN1CCS[C@H]2CCCC[C@@H]21 ZINC000177196201 384901013 /nfs/dbraw/zinc/90/10/13/384901013.db2.gz SISLIJPFYBTGFW-RYUDHWBXSA-N 0 3 245.457 3.100 20 0 BGADHN CCSCCN1CCS[C@@H]2CCCC[C@@H]21 ZINC000177196218 397789571 /nfs/dbraw/zinc/78/95/71/397789571.db2.gz SISLIJPFYBTGFW-NWDGAFQWSA-N 0 3 245.457 3.100 20 0 BGADHN C1=C[C@H](N2CCS[C@@H]3CCCC[C@H]32)CCC1 ZINC000177202465 384900950 /nfs/dbraw/zinc/90/09/50/384900950.db2.gz RXGVIMNMCOMQHB-BFHYXJOUSA-N 0 3 237.412 3.455 20 0 BGADHN C1=C[C@H](N2CCS[C@H]3CCCC[C@H]32)CCC1 ZINC000177202480 384901671 /nfs/dbraw/zinc/90/16/71/384901671.db2.gz RXGVIMNMCOMQHB-MJBXVCDLSA-N 0 3 237.412 3.455 20 0 BGADHN C1=C[C@H](N2CCS[C@@H]3CCCC[C@@H]32)CCC1 ZINC000177202495 384900364 /nfs/dbraw/zinc/90/03/64/384900364.db2.gz RXGVIMNMCOMQHB-MELADBBJSA-N 0 3 237.412 3.455 20 0 BGADHN C1=C[C@H](N2CCS[C@H]3CCCC[C@@H]32)CCC1 ZINC000177202512 384899502 /nfs/dbraw/zinc/89/95/02/384899502.db2.gz RXGVIMNMCOMQHB-IHRRRGAJSA-N 0 3 237.412 3.455 20 0 BGADHN C[C@H](N(C)Cc1ccc(Cl)nc1)C1(C)CC1 ZINC000177215728 384911651 /nfs/dbraw/zinc/91/16/51/384911651.db2.gz QDZPXULRWMSLFD-JTQLQIEISA-N 0 3 238.762 3.355 20 0 BGADHN C[C@@H](N(C)Cc1ccc(Cl)nc1)C1(C)CC1 ZINC000177215743 384911354 /nfs/dbraw/zinc/91/13/54/384911354.db2.gz QDZPXULRWMSLFD-SNVBAGLBSA-N 0 3 238.762 3.355 20 0 BGADHN Cc1ncc(CN(C)[C@@H](C)C2(C)CC2)s1 ZINC000177216632 180140321 /nfs/dbraw/zinc/14/03/21/180140321.db2.gz LOFRDZFJPJHRRM-VIFPVBQESA-N 0 3 224.373 3.072 20 0 BGADHN Cc1ncc(CN(C)[C@H](C)C2(C)CC2)s1 ZINC000177216649 180141436 /nfs/dbraw/zinc/14/14/36/180141436.db2.gz LOFRDZFJPJHRRM-SECBINFHSA-N 0 3 224.373 3.072 20 0 BGADHN C[C@H](N(C)Cc1nc2ccccc2o1)C1(C)CC1 ZINC000177224302 384916517 /nfs/dbraw/zinc/91/65/17/384916517.db2.gz HYNPEMUILAOMAE-NSHDSACASA-N 0 3 244.338 3.448 20 0 BGADHN C[C@@H](N(C)Cc1nc2ccccc2o1)C1(C)CC1 ZINC000177224320 384918793 /nfs/dbraw/zinc/91/87/93/384918793.db2.gz HYNPEMUILAOMAE-LLVKDONJSA-N 0 3 244.338 3.448 20 0 BGADHN C[C@H](N(C)Cc1cccc(Cl)n1)C1(C)CC1 ZINC000177240062 384928743 /nfs/dbraw/zinc/92/87/43/384928743.db2.gz ZJGYZNKBRQJTSO-JTQLQIEISA-N 0 3 238.762 3.355 20 0 BGADHN C[C@@H](N(C)Cc1cccc(Cl)n1)C1(C)CC1 ZINC000177240077 384928787 /nfs/dbraw/zinc/92/87/87/384928787.db2.gz ZJGYZNKBRQJTSO-SNVBAGLBSA-N 0 3 238.762 3.355 20 0 BGADHN C[C@H](N(C)Cc1ccccc1F)C1(C)CC1 ZINC000177243930 134296676 /nfs/dbraw/zinc/29/66/76/134296676.db2.gz FVARJUMIKXBQMF-NSHDSACASA-N 0 3 221.319 3.446 20 0 BGADHN C[C@@H](N(C)Cc1ccccc1F)C1(C)CC1 ZINC000177243941 134296477 /nfs/dbraw/zinc/29/64/77/134296477.db2.gz FVARJUMIKXBQMF-LLVKDONJSA-N 0 3 221.319 3.446 20 0 BGADHN Cc1nc(C)c(CN(C)[C@@H](C)C2(C)CC2)s1 ZINC000177244548 384929057 /nfs/dbraw/zinc/92/90/57/384929057.db2.gz MFEVSXGPAUPHFQ-JTQLQIEISA-N 0 3 238.400 3.380 20 0 BGADHN Cc1nc(C)c(CN(C)[C@H](C)C2(C)CC2)s1 ZINC000177244561 384927784 /nfs/dbraw/zinc/92/77/84/384927784.db2.gz MFEVSXGPAUPHFQ-SNVBAGLBSA-N 0 3 238.400 3.380 20 0 BGADHN CCCCOc1ncccc1CN[C@@H](C)C1CC1 ZINC000177254540 134296553 /nfs/dbraw/zinc/29/65/53/134296553.db2.gz GBFJLAODRWGTCP-LBPRGKRZSA-N 0 3 248.370 3.149 20 0 BGADHN CCCCOc1ncccc1CN[C@H](C)C1CC1 ZINC000177254555 134296792 /nfs/dbraw/zinc/29/67/92/134296792.db2.gz GBFJLAODRWGTCP-GFCCVEGCSA-N 0 3 248.370 3.149 20 0 BGADHN Cc1nc(CN2[C@H](C)CC[C@@H]2C)sc1C ZINC000177269381 365990668 /nfs/dbraw/zinc/99/06/68/365990668.db2.gz SPEWNYGKMJAFNT-DTORHVGOSA-N 0 3 224.373 3.133 20 0 BGADHN Cc1nc(CN2[C@@H](C)CC[C@@H]2C)sc1C ZINC000177269397 365991200 /nfs/dbraw/zinc/99/12/00/365991200.db2.gz SPEWNYGKMJAFNT-IUCAKERBSA-N 0 3 224.373 3.133 20 0 BGADHN Cc1nc(CN2[C@H](C)CC[C@H]2C)sc1C ZINC000177269411 365990595 /nfs/dbraw/zinc/99/05/95/365990595.db2.gz SPEWNYGKMJAFNT-RKDXNWHRSA-N 0 3 224.373 3.133 20 0 BGADHN C[C@H](N[C@@H]1CCOc2ccc(F)cc21)C1CC1 ZINC000177321029 385222201 /nfs/dbraw/zinc/22/22/01/385222201.db2.gz YUKRHXACEQGDQJ-TVQRCGJNSA-N 0 3 235.302 3.037 20 0 BGADHN C[C@@H](N[C@@H]1CCOc2ccc(F)cc21)C1CC1 ZINC000177321042 385221464 /nfs/dbraw/zinc/22/14/64/385221464.db2.gz YUKRHXACEQGDQJ-NOZJJQNGSA-N 0 3 235.302 3.037 20 0 BGADHN C[C@H](N[C@H]1CCOc2ccc(F)cc21)C1CC1 ZINC000177321058 385222879 /nfs/dbraw/zinc/22/28/79/385222879.db2.gz YUKRHXACEQGDQJ-ZANVPECISA-N 0 3 235.302 3.037 20 0 BGADHN C[C@@H](N[C@H]1CCOc2ccc(F)cc21)C1CC1 ZINC000177321070 385222998 /nfs/dbraw/zinc/22/29/98/385222998.db2.gz YUKRHXACEQGDQJ-RNCFNFMXSA-N 0 3 235.302 3.037 20 0 BGADHN Cc1ccc(CN(C)C)cc1NC(=O)CC(C)C ZINC000177330683 385222825 /nfs/dbraw/zinc/22/28/25/385222825.db2.gz SRNOJTIUHUGNLV-UHFFFAOYSA-N 0 3 248.370 3.041 20 0 BGADHN CC[C@@H](C)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000177338253 385225684 /nfs/dbraw/zinc/22/56/84/385225684.db2.gz HSFDTXNRQBFECI-LLVKDONJSA-N 0 3 248.370 3.041 20 0 BGADHN CC[C@H](C)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000177338264 171254633 /nfs/dbraw/zinc/25/46/33/171254633.db2.gz HSFDTXNRQBFECI-NSHDSACASA-N 0 3 248.370 3.041 20 0 BGADHN Cc1ccc(CN(C)C)cc1NC(=O)C(C)(C)C ZINC000177345289 385225751 /nfs/dbraw/zinc/22/57/51/385225751.db2.gz BUJAZTGASFZBIA-UHFFFAOYSA-N 0 3 248.370 3.041 20 0 BGADHN C[C@@H](c1ccccn1)N(C)CCc1cccs1 ZINC000177351742 176026172 /nfs/dbraw/zinc/02/61/72/176026172.db2.gz WAUHDGSIQVWOLR-LBPRGKRZSA-N 0 3 246.379 3.379 20 0 BGADHN C[C@H](c1ccccn1)N(C)CCc1cccs1 ZINC000177351757 177042298 /nfs/dbraw/zinc/04/22/98/177042298.db2.gz WAUHDGSIQVWOLR-GFCCVEGCSA-N 0 3 246.379 3.379 20 0 BGADHN CC(C)CCC1CCN(Cc2cnn(C)c2)CC1 ZINC000177352274 134300023 /nfs/dbraw/zinc/30/00/23/134300023.db2.gz TUJCQFVQNNPIRV-UHFFFAOYSA-N 0 3 249.402 3.068 20 0 BGADHN COCCN(CCC(C)C)Cc1ccc(C)o1 ZINC000177360075 388481366 /nfs/dbraw/zinc/48/13/66/388481366.db2.gz FFAUMGJJBFCWRE-UHFFFAOYSA-N 0 3 239.359 3.083 20 0 BGADHN CC(C)CCO[C@@H]1CCN(Cc2ccccc2)C1 ZINC000177373687 487515586 /nfs/dbraw/zinc/51/55/86/487515586.db2.gz FGANAVJEVMRVFU-MRXNPFEDSA-N 0 3 247.382 3.324 20 0 BGADHN CCC(CC)c1cc(CN[C@@H](C)C2CC2)on1 ZINC000177377250 134297504 /nfs/dbraw/zinc/29/75/04/134297504.db2.gz XPEBKEDCJPYTET-JTQLQIEISA-N 0 3 236.359 3.466 20 0 BGADHN CCC(CC)c1cc(CN[C@H](C)C2CC2)on1 ZINC000177377260 134297780 /nfs/dbraw/zinc/29/77/80/134297780.db2.gz XPEBKEDCJPYTET-SNVBAGLBSA-N 0 3 236.359 3.466 20 0 BGADHN CCCN1CCC[C@@H]1CC(=O)c1cccs1 ZINC000177394235 169197055 /nfs/dbraw/zinc/19/70/55/169197055.db2.gz BINJOXILMWFXPB-LLVKDONJSA-N 0 3 237.368 3.195 20 0 BGADHN CCCN1CCC[C@H]1CC(=O)c1cccs1 ZINC000177394250 169199755 /nfs/dbraw/zinc/19/97/55/169199755.db2.gz BINJOXILMWFXPB-NSHDSACASA-N 0 3 237.368 3.195 20 0 BGADHN Cc1ccccc1CN1CC[C@H](OCC(C)C)C1 ZINC000177411624 134298271 /nfs/dbraw/zinc/29/82/71/134298271.db2.gz RWILKNCJENMNDI-INIZCTEOSA-N 0 3 247.382 3.242 20 0 BGADHN Cc1ccccc1CN1CC[C@@H](OCC(C)C)C1 ZINC000177411639 134297921 /nfs/dbraw/zinc/29/79/21/134297921.db2.gz RWILKNCJENMNDI-MRXNPFEDSA-N 0 3 247.382 3.242 20 0 BGADHN CC1(C)CN(Cc2ccccc2)CCS1 ZINC000177507822 134298356 /nfs/dbraw/zinc/29/83/56/134298356.db2.gz MMQGADOBCJMQAT-UHFFFAOYSA-N 0 3 221.369 3.014 20 0 BGADHN Cc1nc(CN2C[C@@H]3CCCC[C@@H]3C2)cs1 ZINC000177518856 134298403 /nfs/dbraw/zinc/29/84/03/134298403.db2.gz BDKSKGYFDZFGCI-TXEJJXNPSA-N 0 3 236.384 3.074 20 0 BGADHN Cc1nc(CN2C[C@H]3CCCC[C@@H]3C2)cs1 ZINC000177518875 366004682 /nfs/dbraw/zinc/00/46/82/366004682.db2.gz BDKSKGYFDZFGCI-VXGBXAGGSA-N 0 3 236.384 3.074 20 0 BGADHN Cc1nc(CN2C[C@@H]3CCCC[C@H]3C2)cs1 ZINC000177518890 366004772 /nfs/dbraw/zinc/00/47/72/366004772.db2.gz BDKSKGYFDZFGCI-RYUDHWBXSA-N 0 3 236.384 3.074 20 0 BGADHN C[C@@H]1[C@H](c2ccccc2)CCN1Cc1ccon1 ZINC000177547489 385261570 /nfs/dbraw/zinc/26/15/70/385261570.db2.gz QCCPPJVLGRFIOD-IUODEOHRSA-N 0 3 242.322 3.053 20 0 BGADHN C[C@H]1[C@H](c2ccccc2)CCN1Cc1ccon1 ZINC000177547502 385261747 /nfs/dbraw/zinc/26/17/47/385261747.db2.gz QCCPPJVLGRFIOD-SWLSCSKDSA-N 0 3 242.322 3.053 20 0 BGADHN C[C@@H]1[C@@H](c2ccccc2)CCN1Cc1ccon1 ZINC000177547518 385260860 /nfs/dbraw/zinc/26/08/60/385260860.db2.gz QCCPPJVLGRFIOD-DOMZBBRYSA-N 0 3 242.322 3.053 20 0 BGADHN C[C@H]1[C@@H](c2ccccc2)CCN1Cc1ccon1 ZINC000177547531 385259909 /nfs/dbraw/zinc/25/99/09/385259909.db2.gz QCCPPJVLGRFIOD-WFASDCNBSA-N 0 3 242.322 3.053 20 0 BGADHN CC(C)n1ccnc1CN1C[C@@H]2CCCC[C@@H]2C1 ZINC000177571727 134300362 /nfs/dbraw/zinc/30/03/62/134300362.db2.gz FFKYKECRZJVOKD-OKILXGFUSA-N 0 3 247.386 3.086 20 0 BGADHN CC(C)n1ccc(CN2C[C@@H]3CCCC[C@@H]3C2)n1 ZINC000177580238 134300167 /nfs/dbraw/zinc/30/01/67/134300167.db2.gz KTQORJTVYZFGIZ-OKILXGFUSA-N 0 3 247.386 3.086 20 0 BGADHN CC(C)n1ccc(CN2C[C@H]3CCCC[C@@H]3C2)n1 ZINC000177580251 366009949 /nfs/dbraw/zinc/00/99/49/366009949.db2.gz KTQORJTVYZFGIZ-ZIAGYGMSSA-N 0 3 247.386 3.086 20 0 BGADHN CC(C)n1ccc(CN2C[C@@H]3CCCC[C@H]3C2)n1 ZINC000177580265 366010092 /nfs/dbraw/zinc/01/00/92/366010092.db2.gz KTQORJTVYZFGIZ-KBPBESRZSA-N 0 3 247.386 3.086 20 0 BGADHN CC(C)[C@@H](CNCc1ccco1)c1cccnc1 ZINC000177595831 167398369 /nfs/dbraw/zinc/39/83/69/167398369.db2.gz IRYDKTWITFYKBI-OAHLLOKOSA-N 0 3 244.338 3.204 20 0 BGADHN CC(C)[C@H](CNCc1ccco1)c1cccnc1 ZINC000177595850 188165064 /nfs/dbraw/zinc/16/50/64/188165064.db2.gz IRYDKTWITFYKBI-HNNXBMFYSA-N 0 3 244.338 3.204 20 0 BGADHN CN(Cc1ccc(Cl)nc1)[C@H]1C=CCCC1 ZINC000177628008 385269135 /nfs/dbraw/zinc/26/91/35/385269135.db2.gz AUTGLJHPGLKGPB-LBPRGKRZSA-N 0 3 236.746 3.276 20 0 BGADHN CN(Cc1ccc(Cl)nc1)[C@@H]1C=CCCC1 ZINC000177628022 385268670 /nfs/dbraw/zinc/26/86/70/385268670.db2.gz AUTGLJHPGLKGPB-GFCCVEGCSA-N 0 3 236.746 3.276 20 0 BGADHN Fc1ccc2c(c1)[C@H](N1CCCCC1)CC2 ZINC000177665832 134300849 /nfs/dbraw/zinc/30/08/49/134300849.db2.gz RTMLZLYGWFICJO-CQSZACIVSA-N 0 3 219.303 3.299 20 0 BGADHN Fc1ccc2c(c1)[C@@H](N1CCCCC1)CC2 ZINC000177665845 134300858 /nfs/dbraw/zinc/30/08/58/134300858.db2.gz RTMLZLYGWFICJO-AWEZNQCLSA-N 0 3 219.303 3.299 20 0 BGADHN CCN(C)Cc1ccc(Br)c(F)c1 ZINC000177689415 385080271 /nfs/dbraw/zinc/08/02/71/385080271.db2.gz KFBXVULZHVSDNM-UHFFFAOYSA-N 0 3 246.123 3.040 20 0 BGADHN CN(CCC1CCCCC1)Cc1ccc[nH]1 ZINC000177732824 388490146 /nfs/dbraw/zinc/49/01/46/388490146.db2.gz AWDWZZXWBSEOEU-UHFFFAOYSA-N 0 3 220.360 3.417 20 0 BGADHN C[C@H](NCCN(C)c1ccccc1)c1ccoc1 ZINC000177769523 366063877 /nfs/dbraw/zinc/06/38/77/366063877.db2.gz VUFUKHYGBOUIGZ-ZDUSSCGKSA-N 0 3 244.338 3.067 20 0 BGADHN C[C@@H](NCCN(C)c1ccccc1)c1ccoc1 ZINC000177769535 366064117 /nfs/dbraw/zinc/06/41/17/366064117.db2.gz VUFUKHYGBOUIGZ-CYBMUJFWSA-N 0 3 244.338 3.067 20 0 BGADHN CC(C)OCCCN1C[C@@H](C)[C@H]1c1ccccc1 ZINC000177831484 167215127 /nfs/dbraw/zinc/21/51/27/167215127.db2.gz JQVOQCPEEINZGN-ZBFHGGJFSA-N 0 3 247.382 3.495 20 0 BGADHN CC(C)OCCCN1C[C@H](C)[C@H]1c1ccccc1 ZINC000177831492 167214819 /nfs/dbraw/zinc/21/48/19/167214819.db2.gz JQVOQCPEEINZGN-HOCLYGCPSA-N 0 3 247.382 3.495 20 0 BGADHN C[C@H](NCc1cccc(CO)c1)c1cccs1 ZINC000177839744 385126607 /nfs/dbraw/zinc/12/66/07/385126607.db2.gz GDGGRWGSXGMIIK-NSHDSACASA-N 0 3 247.363 3.091 20 0 BGADHN C[C@@H](NCc1cccc(CO)c1)c1cccs1 ZINC000177839766 385125191 /nfs/dbraw/zinc/12/51/91/385125191.db2.gz GDGGRWGSXGMIIK-LLVKDONJSA-N 0 3 247.363 3.091 20 0 BGADHN CC[C@@H](C)CN(CC)Cc1ccn(C(C)C)n1 ZINC000177845704 385125772 /nfs/dbraw/zinc/12/57/72/385125772.db2.gz CKDNTSUARDOERZ-CYBMUJFWSA-N 0 3 237.391 3.332 20 0 BGADHN CC[C@H](C)CN(CC)Cc1ccn(C(C)C)n1 ZINC000177845714 385125596 /nfs/dbraw/zinc/12/55/96/385125596.db2.gz CKDNTSUARDOERZ-ZDUSSCGKSA-N 0 3 237.391 3.332 20 0 BGADHN CC[C@@H](C)CN(CC)Cc1cnc(C)s1 ZINC000177850692 385294843 /nfs/dbraw/zinc/29/48/43/385294843.db2.gz VTPKRQWQYRDACW-SNVBAGLBSA-N 0 3 226.389 3.320 20 0 BGADHN CC[C@H](C)CN(CC)Cc1cnc(C)s1 ZINC000177850702 171278365 /nfs/dbraw/zinc/27/83/65/171278365.db2.gz VTPKRQWQYRDACW-JTQLQIEISA-N 0 3 226.389 3.320 20 0 BGADHN CC[C@@H](C)CN(CC)Cc1cn2ccccc2n1 ZINC000177854540 535510376 /nfs/dbraw/zinc/51/03/76/535510376.db2.gz QZOJMSUFIZTWBD-CYBMUJFWSA-N 0 3 245.370 3.202 20 0 BGADHN CC[C@H](C)CN(CC)Cc1cn2ccccc2n1 ZINC000177854552 134303614 /nfs/dbraw/zinc/30/36/14/134303614.db2.gz QZOJMSUFIZTWBD-ZDUSSCGKSA-N 0 3 245.370 3.202 20 0 BGADHN CC[C@@H](C)CN(CC)Cc1c(C)noc1C ZINC000177860922 385130143 /nfs/dbraw/zinc/13/01/43/385130143.db2.gz OLVXDLYTPREXCR-SNVBAGLBSA-N 0 3 224.348 3.159 20 0 BGADHN CC[C@H](C)CN(CC)Cc1c(C)noc1C ZINC000177860936 385131639 /nfs/dbraw/zinc/13/16/39/385131639.db2.gz OLVXDLYTPREXCR-JTQLQIEISA-N 0 3 224.348 3.159 20 0 BGADHN CCC(CC)N(Cc1nccn1C)CC(C)C ZINC000177863181 134303502 /nfs/dbraw/zinc/30/35/02/134303502.db2.gz RTEMZMFKKRTNAL-UHFFFAOYSA-N 0 3 237.391 3.067 20 0 BGADHN CCC(CC)N(Cc1nnc(C)o1)CC(C)C ZINC000177863320 134303693 /nfs/dbraw/zinc/30/36/93/134303693.db2.gz LVDHRUHHDQUHAT-UHFFFAOYSA-N 0 3 239.363 3.025 20 0 BGADHN CCC(CC)N(Cc1ccon1)CC(C)C ZINC000177865048 134303456 /nfs/dbraw/zinc/30/34/56/134303456.db2.gz DHSHLTVFYGXVQB-UHFFFAOYSA-N 0 3 224.348 3.321 20 0 BGADHN C[C@@H]1CCN(Cc2cccc(F)c2F)[C@@H]1C ZINC000177870847 134304244 /nfs/dbraw/zinc/30/42/44/134304244.db2.gz DYWNJBPBGSALDR-NXEZZACHSA-N 0 3 225.282 3.195 20 0 BGADHN C[C@@H]1[C@@H](C)CCN1Cc1cccc(F)c1F ZINC000177870856 134304310 /nfs/dbraw/zinc/30/43/10/134304310.db2.gz DYWNJBPBGSALDR-VHSXEESVSA-N 0 3 225.282 3.195 20 0 BGADHN C[C@@H]1CCN(Cc2ccccc2F)[C@@H]1C ZINC000177872919 134304209 /nfs/dbraw/zinc/30/42/09/134304209.db2.gz ZZMHXMMYGPJXQS-GHMZBOCLSA-N 0 3 207.292 3.056 20 0 BGADHN C[C@@H]1[C@@H](C)CCN1Cc1ccccc1F ZINC000177872927 134303809 /nfs/dbraw/zinc/30/38/09/134303809.db2.gz ZZMHXMMYGPJXQS-WDEREUQCSA-N 0 3 207.292 3.056 20 0 BGADHN C[C@@H]1CCN(Cc2ccc(F)c(F)c2)[C@@H]1C ZINC000177878974 134303873 /nfs/dbraw/zinc/30/38/73/134303873.db2.gz WAWALKCXRBHPIW-NXEZZACHSA-N 0 3 225.282 3.195 20 0 BGADHN C[C@@H]1[C@@H](C)CCN1Cc1ccc(F)c(F)c1 ZINC000177878984 134304055 /nfs/dbraw/zinc/30/40/55/134304055.db2.gz WAWALKCXRBHPIW-VHSXEESVSA-N 0 3 225.282 3.195 20 0 BGADHN COc1ccc(CN2CC[C@@H](C)[C@H]2C)cc1F ZINC000177884103 134303825 /nfs/dbraw/zinc/30/38/25/134303825.db2.gz NGIIYVFHQFYEOV-GHMZBOCLSA-N 0 3 237.318 3.065 20 0 BGADHN COc1ccc(CN2CC[C@H](C)[C@H]2C)cc1F ZINC000177884117 134303957 /nfs/dbraw/zinc/30/39/57/134303957.db2.gz NGIIYVFHQFYEOV-WDEREUQCSA-N 0 3 237.318 3.065 20 0 BGADHN C[C@@H]1CCN(Cc2cc(F)ccc2F)[C@@H]1C ZINC000177887977 134304227 /nfs/dbraw/zinc/30/42/27/134304227.db2.gz WHGUADSEUUGBKA-NXEZZACHSA-N 0 3 225.282 3.195 20 0 BGADHN C[C@@H]1[C@@H](C)CCN1Cc1cc(F)ccc1F ZINC000177887988 134304279 /nfs/dbraw/zinc/30/42/79/134304279.db2.gz WHGUADSEUUGBKA-VHSXEESVSA-N 0 3 225.282 3.195 20 0 BGADHN C[C@@H]1CCN(Cc2nc3ccccc3o2)[C@@H]1C ZINC000177901089 134301824 /nfs/dbraw/zinc/30/18/24/134301824.db2.gz GUHMAKQCSOXMLO-GHMZBOCLSA-N 0 3 230.311 3.058 20 0 BGADHN C[C@@H]1[C@@H](C)CCN1Cc1nc2ccccc2o1 ZINC000177901102 134301699 /nfs/dbraw/zinc/30/16/99/134301699.db2.gz GUHMAKQCSOXMLO-WDEREUQCSA-N 0 3 230.311 3.058 20 0 BGADHN CC1(C)Cc2occc2[C@H](N[C@@H]2CCCOC2)C1 ZINC000177929589 187307631 /nfs/dbraw/zinc/30/76/31/187307631.db2.gz IXTWHDSLHMFMDC-DGCLKSJQSA-N 0 3 249.354 3.062 20 0 BGADHN CC1(C)Cc2occc2[C@@H](N[C@@H]2CCCOC2)C1 ZINC000177929602 385307836 /nfs/dbraw/zinc/30/78/36/385307836.db2.gz IXTWHDSLHMFMDC-YPMHNXCESA-N 0 3 249.354 3.062 20 0 BGADHN CC1(C)Cc2occc2[C@H](N[C@H]2CCCOC2)C1 ZINC000177929617 385307300 /nfs/dbraw/zinc/30/73/00/385307300.db2.gz IXTWHDSLHMFMDC-WCQYABFASA-N 0 3 249.354 3.062 20 0 BGADHN CC1(C)Cc2occc2[C@@H](N[C@H]2CCCOC2)C1 ZINC000177929631 385307334 /nfs/dbraw/zinc/30/73/34/385307334.db2.gz IXTWHDSLHMFMDC-AAEUAGOBSA-N 0 3 249.354 3.062 20 0 BGADHN Cc1ccccc1OCCN[C@@H](C)c1ccoc1 ZINC000177954736 366073442 /nfs/dbraw/zinc/07/34/42/366073442.db2.gz AZUFECHHUWDTPC-ZDUSSCGKSA-N 0 3 245.322 3.318 20 0 BGADHN Cc1ccccc1OCCN[C@H](C)c1ccoc1 ZINC000177954748 366073636 /nfs/dbraw/zinc/07/36/36/366073636.db2.gz AZUFECHHUWDTPC-CYBMUJFWSA-N 0 3 245.322 3.318 20 0 BGADHN CC(C)Oc1ccccc1CN(C)C(C)C ZINC000177993839 388494112 /nfs/dbraw/zinc/49/41/12/388494112.db2.gz VWGDHOQEPYJLBQ-UHFFFAOYSA-N 0 3 221.344 3.314 20 0 BGADHN CC(C)N(C)Cc1ccccc1OC(F)F ZINC000177993887 188342265 /nfs/dbraw/zinc/34/22/65/188342265.db2.gz WNQQZPMGBXFYGK-UHFFFAOYSA-N 0 3 229.270 3.128 20 0 BGADHN Cc1cc(C)cc([C@@H](C)NCCOCC2CC2)c1 ZINC000178008519 385172750 /nfs/dbraw/zinc/17/27/50/385172750.db2.gz KIBRWXSLCDHEGA-CQSZACIVSA-N 0 3 247.382 3.381 20 0 BGADHN Cc1cc(C)cc([C@H](C)NCCOCC2CC2)c1 ZINC000178008532 385173753 /nfs/dbraw/zinc/17/37/53/385173753.db2.gz KIBRWXSLCDHEGA-AWEZNQCLSA-N 0 3 247.382 3.381 20 0 BGADHN Cc1cccc([C@@H](C)NCCOCC2CC2)c1C ZINC000178008980 366075910 /nfs/dbraw/zinc/07/59/10/366075910.db2.gz LRQBCHOSXCFGEO-CQSZACIVSA-N 0 3 247.382 3.381 20 0 BGADHN Cc1cccc([C@H](C)NCCOCC2CC2)c1C ZINC000178008991 366075863 /nfs/dbraw/zinc/07/58/63/366075863.db2.gz LRQBCHOSXCFGEO-AWEZNQCLSA-N 0 3 247.382 3.381 20 0 BGADHN Cc1ccc([C@@H](C)NCCOCC2CC2)cc1 ZINC000178010889 385320554 /nfs/dbraw/zinc/32/05/54/385320554.db2.gz KWWDBDZGHSIKNH-CYBMUJFWSA-N 0 3 233.355 3.072 20 0 BGADHN Cc1ccc([C@H](C)NCCOCC2CC2)cc1 ZINC000178010903 187307646 /nfs/dbraw/zinc/30/76/46/187307646.db2.gz KWWDBDZGHSIKNH-ZDUSSCGKSA-N 0 3 233.355 3.072 20 0 BGADHN COC[C@@H](C)CN(C)[C@@H](C)c1ccccc1F ZINC000178026820 366077897 /nfs/dbraw/zinc/07/78/97/366077897.db2.gz HHPHFCDTBWORKJ-RYUDHWBXSA-N 0 3 239.334 3.101 20 0 BGADHN COC[C@H](C)CN(C)[C@@H](C)c1ccccc1F ZINC000178026831 366077205 /nfs/dbraw/zinc/07/72/05/366077205.db2.gz HHPHFCDTBWORKJ-NEPJUHHUSA-N 0 3 239.334 3.101 20 0 BGADHN COC[C@@H](C)CN(C)Cc1ccccc1Cl ZINC000178027607 346945242 /nfs/dbraw/zinc/94/52/42/346945242.db2.gz QYDRAOAWRVYTDB-NSHDSACASA-N 0 3 241.762 3.054 20 0 BGADHN COC[C@H](C)CN(C)Cc1ccccc1Cl ZINC000178027620 366077707 /nfs/dbraw/zinc/07/77/07/366077707.db2.gz QYDRAOAWRVYTDB-LLVKDONJSA-N 0 3 241.762 3.054 20 0 BGADHN COCCC[C@H](C)NCc1ccccc1Cl ZINC000178041828 174263874 /nfs/dbraw/zinc/26/38/74/174263874.db2.gz KNKAWMSRWHARQW-NSHDSACASA-N 0 3 241.762 3.245 20 0 BGADHN COCCC[C@@H](C)NCc1ccccc1Cl ZINC000178041835 174261343 /nfs/dbraw/zinc/26/13/43/174261343.db2.gz KNKAWMSRWHARQW-LLVKDONJSA-N 0 3 241.762 3.245 20 0 BGADHN CC[C@@H](C)[C@@H](C)NCc1cn2c(cccc2C)n1 ZINC000178056459 535645476 /nfs/dbraw/zinc/64/54/76/535645476.db2.gz WAGWEHWTMJYWDN-DGCLKSJQSA-N 0 3 245.370 3.167 20 0 BGADHN CC[C@H](C)[C@@H](C)NCc1cn2c(cccc2C)n1 ZINC000178056473 134302483 /nfs/dbraw/zinc/30/24/83/134302483.db2.gz WAGWEHWTMJYWDN-WCQYABFASA-N 0 3 245.370 3.167 20 0 BGADHN CC[C@@H](C)[C@H](C)NCc1cn2c(cccc2C)n1 ZINC000178056485 134302590 /nfs/dbraw/zinc/30/25/90/134302590.db2.gz WAGWEHWTMJYWDN-YPMHNXCESA-N 0 3 245.370 3.167 20 0 BGADHN CC[C@H](C)[C@H](C)NCc1cn2c(cccc2C)n1 ZINC000178056495 134302740 /nfs/dbraw/zinc/30/27/40/134302740.db2.gz WAGWEHWTMJYWDN-AAEUAGOBSA-N 0 3 245.370 3.167 20 0 BGADHN COc1ccccc1[C@H](C)NCC=C(C)C ZINC000178069231 175351148 /nfs/dbraw/zinc/35/11/48/175351148.db2.gz IDMKVDNYMFMYER-LBPRGKRZSA-N 0 3 219.328 3.312 20 0 BGADHN COc1ccccc1[C@@H](C)NCC=C(C)C ZINC000178069246 175344927 /nfs/dbraw/zinc/34/49/27/175344927.db2.gz IDMKVDNYMFMYER-GFCCVEGCSA-N 0 3 219.328 3.312 20 0 BGADHN COc1cccc(CCN[C@@H](C)c2ccoc2)c1 ZINC000178116763 366098405 /nfs/dbraw/zinc/09/84/05/366098405.db2.gz UKSFVXKYKGKJMJ-LBPRGKRZSA-N 0 3 245.322 3.182 20 0 BGADHN COc1cccc(CCN[C@H](C)c2ccoc2)c1 ZINC000178116774 344645010 /nfs/dbraw/zinc/64/50/10/344645010.db2.gz UKSFVXKYKGKJMJ-GFCCVEGCSA-N 0 3 245.322 3.182 20 0 BGADHN c1ccc(C2(NCC3=CCCOC3)CCC2)cc1 ZINC000178163417 385340070 /nfs/dbraw/zinc/34/00/70/385340070.db2.gz JOPNHIGKWGJEGD-UHFFFAOYSA-N 0 3 243.350 3.002 20 0 BGADHN CCOCCN[C@@H]1CC(C)(C)c2ccccc21 ZINC000178164829 134306874 /nfs/dbraw/zinc/30/68/74/134306874.db2.gz IJXLUMDSMNOUOZ-CQSZACIVSA-N 0 3 233.355 3.035 20 0 BGADHN CCOCCN[C@H]1CC(C)(C)c2ccccc21 ZINC000178164841 535627060 /nfs/dbraw/zinc/62/70/60/535627060.db2.gz IJXLUMDSMNOUOZ-AWEZNQCLSA-N 0 3 233.355 3.035 20 0 BGADHN COc1ccccc1CCN[C@@H](C)c1ccoc1 ZINC000178180466 366102831 /nfs/dbraw/zinc/10/28/31/366102831.db2.gz CXPCKDZRKHNFDG-LBPRGKRZSA-N 0 3 245.322 3.182 20 0 BGADHN COc1ccccc1CCN[C@H](C)c1ccoc1 ZINC000178180480 366103215 /nfs/dbraw/zinc/10/32/15/366103215.db2.gz CXPCKDZRKHNFDG-GFCCVEGCSA-N 0 3 245.322 3.182 20 0 BGADHN CCc1ccc([C@@H](C)NCCCOC(C)C)o1 ZINC000178194193 134304499 /nfs/dbraw/zinc/30/44/99/134304499.db2.gz NJDYIXCXYOXVSK-GFCCVEGCSA-N 0 3 239.359 3.308 20 0 BGADHN CCc1ccc([C@H](C)NCCCOC(C)C)o1 ZINC000178194207 134304659 /nfs/dbraw/zinc/30/46/59/134304659.db2.gz NJDYIXCXYOXVSK-LBPRGKRZSA-N 0 3 239.359 3.308 20 0 BGADHN CO[C@]1(C)C[C@@H](N[C@@H](C)c2ccoc2)C1(C)C ZINC000178208816 366104242 /nfs/dbraw/zinc/10/42/42/366104242.db2.gz XQMXTQUIGUZJJF-ZKYQVNSYSA-N 0 3 237.343 3.134 20 0 BGADHN CO[C@]1(C)C[C@@H](N[C@H](C)c2ccoc2)C1(C)C ZINC000178208830 366105055 /nfs/dbraw/zinc/10/50/55/366105055.db2.gz XQMXTQUIGUZJJF-MPKXVKKWSA-N 0 3 237.343 3.134 20 0 BGADHN CO[C@]1(C)C[C@H](N[C@@H](C)c2ccoc2)C1(C)C ZINC000178208842 366105023 /nfs/dbraw/zinc/10/50/23/366105023.db2.gz XQMXTQUIGUZJJF-VHRBIJSZSA-N 0 3 237.343 3.134 20 0 BGADHN CO[C@]1(C)C[C@H](N[C@H](C)c2ccoc2)C1(C)C ZINC000178208852 366104147 /nfs/dbraw/zinc/10/41/47/366104147.db2.gz XQMXTQUIGUZJJF-SCDSUCTJSA-N 0 3 237.343 3.134 20 0 BGADHN CCC(CC)(CCO)CN[C@@H](C)c1ccoc1 ZINC000178212631 366104731 /nfs/dbraw/zinc/10/47/31/366104731.db2.gz GEVQIBSWFZEFAO-LBPRGKRZSA-N 0 3 239.359 3.119 20 0 BGADHN CCC(CC)(CCO)CN[C@H](C)c1ccoc1 ZINC000178212642 366104669 /nfs/dbraw/zinc/10/46/69/366104669.db2.gz GEVQIBSWFZEFAO-GFCCVEGCSA-N 0 3 239.359 3.119 20 0 BGADHN CCO[C@@H](CCN[C@@H](C)c1ccoc1)C(C)C ZINC000178218554 366106489 /nfs/dbraw/zinc/10/64/89/366106489.db2.gz XCMXVZLTDYHYJO-JSGCOSHPSA-N 0 3 239.359 3.381 20 0 BGADHN CCO[C@H](CCN[C@@H](C)c1ccoc1)C(C)C ZINC000178218562 366106507 /nfs/dbraw/zinc/10/65/07/366106507.db2.gz XCMXVZLTDYHYJO-GXTWGEPZSA-N 0 3 239.359 3.381 20 0 BGADHN CCO[C@@H](CCN[C@H](C)c1ccoc1)C(C)C ZINC000178218573 366106795 /nfs/dbraw/zinc/10/67/95/366106795.db2.gz XCMXVZLTDYHYJO-OCCSQVGLSA-N 0 3 239.359 3.381 20 0 BGADHN CCO[C@H](CCN[C@H](C)c1ccoc1)C(C)C ZINC000178218587 366106402 /nfs/dbraw/zinc/10/64/02/366106402.db2.gz XCMXVZLTDYHYJO-TZMCWYRMSA-N 0 3 239.359 3.381 20 0 BGADHN C[C@H](NCCCOC1CCCC1)c1ccoc1 ZINC000178220779 366106308 /nfs/dbraw/zinc/10/63/08/366106308.db2.gz CRKKSFVRZNELEW-LBPRGKRZSA-N 0 3 237.343 3.280 20 0 BGADHN C[C@@H](NCCCOC1CCCC1)c1ccoc1 ZINC000178220794 346949563 /nfs/dbraw/zinc/94/95/63/346949563.db2.gz CRKKSFVRZNELEW-GFCCVEGCSA-N 0 3 237.343 3.280 20 0 BGADHN COC[C@@H](N[C@@H](C)C1CCC1)c1ccc(C)o1 ZINC000178226864 385346467 /nfs/dbraw/zinc/34/64/67/385346467.db2.gz PZUZCOIRQOPCRJ-WCQYABFASA-N 0 3 237.343 3.054 20 0 BGADHN COC[C@H](N[C@@H](C)C1CCC1)c1ccc(C)o1 ZINC000178226878 385346589 /nfs/dbraw/zinc/34/65/89/385346589.db2.gz PZUZCOIRQOPCRJ-AAEUAGOBSA-N 0 3 237.343 3.054 20 0 BGADHN COC[C@@H](N[C@H](C)C1CCC1)c1ccc(C)o1 ZINC000178226891 385345237 /nfs/dbraw/zinc/34/52/37/385345237.db2.gz PZUZCOIRQOPCRJ-DGCLKSJQSA-N 0 3 237.343 3.054 20 0 BGADHN COC[C@H](N[C@H](C)C1CCC1)c1ccc(C)o1 ZINC000178226901 385346337 /nfs/dbraw/zinc/34/63/37/385346337.db2.gz PZUZCOIRQOPCRJ-YPMHNXCESA-N 0 3 237.343 3.054 20 0 BGADHN Cc1ccc(OCCN[C@@H](C)c2ccoc2)cc1 ZINC000178237805 366107636 /nfs/dbraw/zinc/10/76/36/366107636.db2.gz YQBVDULATFJTFX-ZDUSSCGKSA-N 0 3 245.322 3.318 20 0 BGADHN Cc1ccc(OCCN[C@H](C)c2ccoc2)cc1 ZINC000178237814 366107787 /nfs/dbraw/zinc/10/77/87/366107787.db2.gz YQBVDULATFJTFX-CYBMUJFWSA-N 0 3 245.322 3.318 20 0 BGADHN C[C@H](NCCOCc1ccccc1)c1ccoc1 ZINC000178238821 366107966 /nfs/dbraw/zinc/10/79/66/366107966.db2.gz LDFQXMCWMBCEHK-ZDUSSCGKSA-N 0 3 245.322 3.147 20 0 BGADHN C[C@@H](NCCOCc1ccccc1)c1ccoc1 ZINC000178238830 346663932 /nfs/dbraw/zinc/66/39/32/346663932.db2.gz LDFQXMCWMBCEHK-CYBMUJFWSA-N 0 3 245.322 3.147 20 0 BGADHN C[C@@H](c1ccc(F)cc1)N(C)CCCF ZINC000178247034 176016120 /nfs/dbraw/zinc/01/61/20/176016120.db2.gz HEPNHLSNNAAQJQ-JTQLQIEISA-N 0 3 213.271 3.178 20 0 BGADHN C[C@H](c1ccc(F)cc1)N(C)CCCF ZINC000178247048 177034115 /nfs/dbraw/zinc/03/41/15/177034115.db2.gz HEPNHLSNNAAQJQ-SNVBAGLBSA-N 0 3 213.271 3.178 20 0 BGADHN Cc1ccccc1[C@@H](C)N1CCOC(C)(C)C1 ZINC000178252235 134305246 /nfs/dbraw/zinc/30/52/46/134305246.db2.gz UZNDCAPLGKDOMX-CYBMUJFWSA-N 0 3 233.355 3.167 20 0 BGADHN Cc1ccccc1[C@H](C)N1CCOC(C)(C)C1 ZINC000178252250 134305326 /nfs/dbraw/zinc/30/53/26/134305326.db2.gz UZNDCAPLGKDOMX-ZDUSSCGKSA-N 0 3 233.355 3.167 20 0 BGADHN CN(CCCF)Cc1ccc(OC(F)F)cc1 ZINC000178254409 385348234 /nfs/dbraw/zinc/34/82/34/385348234.db2.gz FNONWZIAZPPNJJ-UHFFFAOYSA-N 0 3 247.260 3.079 20 0 BGADHN Cc1ccccc1[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000178254972 134305547 /nfs/dbraw/zinc/30/55/47/134305547.db2.gz PIOHPBVHTJAEAC-HZSPNIEDSA-N 0 3 233.355 3.165 20 0 BGADHN Cc1ccccc1[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000178254990 134305200 /nfs/dbraw/zinc/30/52/00/134305200.db2.gz PIOHPBVHTJAEAC-MJBXVCDLSA-N 0 3 233.355 3.165 20 0 BGADHN C[C@H](NCCCF)c1ccc2ccccc2n1 ZINC000178277987 366112332 /nfs/dbraw/zinc/11/23/32/366112332.db2.gz HVCUKSRXSKLBMB-NSHDSACASA-N 0 3 232.302 3.245 20 0 BGADHN C[C@@H](NCCCF)c1ccc2ccccc2n1 ZINC000178277998 366112275 /nfs/dbraw/zinc/11/22/75/366112275.db2.gz HVCUKSRXSKLBMB-LLVKDONJSA-N 0 3 232.302 3.245 20 0 BGADHN FCCCN[C@H]1CCSc2c(F)cccc21 ZINC000178278413 366112191 /nfs/dbraw/zinc/11/21/91/366112191.db2.gz IGTHHUUTMPIRGZ-NSHDSACASA-N 0 3 243.322 3.312 20 0 BGADHN FCCCN[C@@H]1CCSc2c(F)cccc21 ZINC000178278428 366111551 /nfs/dbraw/zinc/11/15/51/366111551.db2.gz IGTHHUUTMPIRGZ-LLVKDONJSA-N 0 3 243.322 3.312 20 0 BGADHN C[C@H](NCCCF)c1ccccc1OC(F)F ZINC000178278618 387922822 /nfs/dbraw/zinc/92/28/22/387922822.db2.gz SRCXQPXBKBBIIP-VIFPVBQESA-N 0 3 247.260 3.298 20 0 BGADHN C[C@@H](NCCCF)c1ccccc1OC(F)F ZINC000178278633 385350074 /nfs/dbraw/zinc/35/00/74/385350074.db2.gz SRCXQPXBKBBIIP-SECBINFHSA-N 0 3 247.260 3.298 20 0 BGADHN C[C@H](N[C@@H]1CCOC2(CCCC2)C1)c1ccoc1 ZINC000178280159 134305617 /nfs/dbraw/zinc/30/56/17/134305617.db2.gz RLSIDAPKLKMAIA-GXTWGEPZSA-N 0 3 249.354 3.422 20 0 BGADHN C[C@@H](N[C@@H]1CCOC2(CCCC2)C1)c1ccoc1 ZINC000178280172 134305788 /nfs/dbraw/zinc/30/57/88/134305788.db2.gz RLSIDAPKLKMAIA-TZMCWYRMSA-N 0 3 249.354 3.422 20 0 BGADHN C[C@H](N[C@H]1CCOC2(CCCC2)C1)c1ccoc1 ZINC000178280190 134305550 /nfs/dbraw/zinc/30/55/50/134305550.db2.gz RLSIDAPKLKMAIA-JSGCOSHPSA-N 0 3 249.354 3.422 20 0 BGADHN C[C@@H](N[C@H]1CCOC2(CCCC2)C1)c1ccoc1 ZINC000178280204 134305633 /nfs/dbraw/zinc/30/56/33/134305633.db2.gz RLSIDAPKLKMAIA-OCCSQVGLSA-N 0 3 249.354 3.422 20 0 BGADHN CN(CCCF)Cc1cccc(C(F)(F)F)c1 ZINC000178307623 385352101 /nfs/dbraw/zinc/35/21/01/385352101.db2.gz GNVGXBLNYUOGRL-UHFFFAOYSA-N 0 3 249.251 3.497 20 0 BGADHN CN(Cc1ccc(Cl)cc1F)CC1CC1 ZINC000178322384 536468480 /nfs/dbraw/zinc/46/84/80/536468480.db2.gz BVGZYAPRTUOOCK-UHFFFAOYSA-N 0 3 227.710 3.321 20 0 BGADHN FCCCN1CCC[C@H]1c1cccc(F)c1 ZINC000178322759 385354014 /nfs/dbraw/zinc/35/40/14/385354014.db2.gz FWAUPFGNRWYNOW-ZDUSSCGKSA-N 0 3 225.282 3.322 20 0 BGADHN FCCCN1CCC[C@@H]1c1cccc(F)c1 ZINC000178322767 385354604 /nfs/dbraw/zinc/35/46/04/385354604.db2.gz FWAUPFGNRWYNOW-CYBMUJFWSA-N 0 3 225.282 3.322 20 0 BGADHN Cc1cnc([C@@H](C)N[C@@H](C)C2CCC2)s1 ZINC000178324119 385227964 /nfs/dbraw/zinc/22/79/64/385227964.db2.gz JKZRNABRUYWWKM-VHSXEESVSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1cnc([C@H](C)N[C@@H](C)C2CCC2)s1 ZINC000178324128 385226592 /nfs/dbraw/zinc/22/65/92/385226592.db2.gz JKZRNABRUYWWKM-UWVGGRQHSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1cnc([C@@H](C)N[C@H](C)C2CCC2)s1 ZINC000178324145 385227676 /nfs/dbraw/zinc/22/76/76/385227676.db2.gz JKZRNABRUYWWKM-NXEZZACHSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1cnc([C@H](C)N[C@H](C)C2CCC2)s1 ZINC000178324158 385227394 /nfs/dbraw/zinc/22/73/94/385227394.db2.gz JKZRNABRUYWWKM-ZJUUUORDSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1ccccc1[C@@H](C)NCCOCC1CC1 ZINC000178342374 179321936 /nfs/dbraw/zinc/32/19/36/179321936.db2.gz FOPJTDLEYTUABH-CYBMUJFWSA-N 0 3 233.355 3.072 20 0 BGADHN Cc1ccccc1[C@H](C)NCCOCC1CC1 ZINC000178342386 179337910 /nfs/dbraw/zinc/33/79/10/179337910.db2.gz FOPJTDLEYTUABH-ZDUSSCGKSA-N 0 3 233.355 3.072 20 0 BGADHN CCN(CCSC)[C@@H](C)c1cccc(O)c1 ZINC000178376307 385363699 /nfs/dbraw/zinc/36/36/99/385363699.db2.gz VHQGAGIYXMRAMW-NSHDSACASA-N 0 3 239.384 3.138 20 0 BGADHN CCN(CCSC)[C@H](C)c1cccc(O)c1 ZINC000178376327 385362727 /nfs/dbraw/zinc/36/27/27/385362727.db2.gz VHQGAGIYXMRAMW-LLVKDONJSA-N 0 3 239.384 3.138 20 0 BGADHN CCc1noc(CC)c1CN[C@@H](C)C1CCC1 ZINC000178400705 134309396 /nfs/dbraw/zinc/30/93/96/134309396.db2.gz SXFAYJOHLGKPHS-JTQLQIEISA-N 0 3 236.359 3.078 20 0 BGADHN CCc1noc(CC)c1CN[C@H](C)C1CCC1 ZINC000178400718 134309416 /nfs/dbraw/zinc/30/94/16/134309416.db2.gz SXFAYJOHLGKPHS-SNVBAGLBSA-N 0 3 236.359 3.078 20 0 BGADHN CCCCCN1CCN(C)CC12CCCCC2 ZINC000178401277 134309750 /nfs/dbraw/zinc/30/97/50/134309750.db2.gz PWSKBHRZIZYRQM-UHFFFAOYSA-N 0 3 238.419 3.127 20 0 BGADHN CN1CCN([C@H]2C=CCCC2)C2(CCCCC2)C1 ZINC000178401744 134309623 /nfs/dbraw/zinc/30/96/23/134309623.db2.gz SBVZISHQZPPESE-HNNXBMFYSA-N 0 3 248.414 3.045 20 0 BGADHN C[C@H](NCC1CCCCCCC1)c1cnccn1 ZINC000178413454 385368527 /nfs/dbraw/zinc/36/85/27/385368527.db2.gz AXVSXOLVVQTROJ-ZDUSSCGKSA-N 0 3 247.386 3.488 20 0 BGADHN C[C@@H](NCC1CCCCCCC1)c1cnccn1 ZINC000178413465 385368539 /nfs/dbraw/zinc/36/85/39/385368539.db2.gz AXVSXOLVVQTROJ-CYBMUJFWSA-N 0 3 247.386 3.488 20 0 BGADHN C[C@H](NCCc1ccccc1O)c1ccsc1 ZINC000178417333 134310186 /nfs/dbraw/zinc/31/01/86/134310186.db2.gz FXUIAMLBIGKIFU-NSHDSACASA-N 0 3 247.363 3.347 20 0 BGADHN C[C@@H](NCCc1ccccc1O)c1ccsc1 ZINC000178417342 134309983 /nfs/dbraw/zinc/30/99/83/134309983.db2.gz FXUIAMLBIGKIFU-LLVKDONJSA-N 0 3 247.363 3.347 20 0 BGADHN C[C@H](NCCSC(F)(F)F)c1ccoc1 ZINC000178420289 634505208 /nfs/dbraw/zinc/50/52/08/634505208.db2.gz IIKCCEKJQRVXOQ-ZETCQYMHSA-N 0 3 239.262 3.183 20 0 BGADHN C[C@@H](NCCSC(F)(F)F)c1ccoc1 ZINC000178420297 634504872 /nfs/dbraw/zinc/50/48/72/634504872.db2.gz IIKCCEKJQRVXOQ-SSDOTTSWSA-N 0 3 239.262 3.183 20 0 BGADHN Cc1ccc([C@@H](C)NC[C@H](O)CC(C)(C)C)o1 ZINC000178436303 385373065 /nfs/dbraw/zinc/37/30/65/385373065.db2.gz OCNCJOFENUQFAQ-VXGBXAGGSA-N 0 3 239.359 3.036 20 0 BGADHN Cc1ccc([C@H](C)NC[C@H](O)CC(C)(C)C)o1 ZINC000178436315 385372950 /nfs/dbraw/zinc/37/29/50/385372950.db2.gz OCNCJOFENUQFAQ-NWDGAFQWSA-N 0 3 239.359 3.036 20 0 BGADHN Cc1ccc([C@@H](C)NC[C@@H](O)CC(C)(C)C)o1 ZINC000178436329 385372532 /nfs/dbraw/zinc/37/25/32/385372532.db2.gz OCNCJOFENUQFAQ-NEPJUHHUSA-N 0 3 239.359 3.036 20 0 BGADHN Cc1ccc([C@H](C)NC[C@@H](O)CC(C)(C)C)o1 ZINC000178436344 385373213 /nfs/dbraw/zinc/37/32/13/385373213.db2.gz OCNCJOFENUQFAQ-RYUDHWBXSA-N 0 3 239.359 3.036 20 0 BGADHN CO[C@@H](CN[C@@H](C)c1ccoc1)c1ccccc1 ZINC000178459453 366126208 /nfs/dbraw/zinc/12/62/08/366126208.db2.gz QSDSFISGKSVDLQ-WFASDCNBSA-N 0 3 245.322 3.318 20 0 BGADHN CO[C@@H](CN[C@H](C)c1ccoc1)c1ccccc1 ZINC000178459462 366126173 /nfs/dbraw/zinc/12/61/73/366126173.db2.gz QSDSFISGKSVDLQ-DOMZBBRYSA-N 0 3 245.322 3.318 20 0 BGADHN CO[C@H](CN[C@@H](C)c1ccoc1)c1ccccc1 ZINC000178459472 366125496 /nfs/dbraw/zinc/12/54/96/366125496.db2.gz QSDSFISGKSVDLQ-SWLSCSKDSA-N 0 3 245.322 3.318 20 0 BGADHN CO[C@H](CN[C@H](C)c1ccoc1)c1ccccc1 ZINC000178459481 366125943 /nfs/dbraw/zinc/12/59/43/366125943.db2.gz QSDSFISGKSVDLQ-IUODEOHRSA-N 0 3 245.322 3.318 20 0 BGADHN C[C@H](NCCCNc1ccccc1)c1ccoc1 ZINC000178461850 366127663 /nfs/dbraw/zinc/12/76/63/366127663.db2.gz YGAACQLKAPYFKH-ZDUSSCGKSA-N 0 3 244.338 3.432 20 0 BGADHN C[C@@H](NCCCNc1ccccc1)c1ccoc1 ZINC000178461860 366127862 /nfs/dbraw/zinc/12/78/62/366127862.db2.gz YGAACQLKAPYFKH-CYBMUJFWSA-N 0 3 244.338 3.432 20 0 BGADHN CCCC(O)(CCC)CN[C@@H](C)c1ccoc1 ZINC000178499582 366128871 /nfs/dbraw/zinc/12/88/71/366128871.db2.gz XEWXYLNXTFBJFO-LBPRGKRZSA-N 0 3 239.359 3.262 20 0 BGADHN CCCC(O)(CCC)CN[C@H](C)c1ccoc1 ZINC000178499593 366130789 /nfs/dbraw/zinc/13/07/89/366130789.db2.gz XEWXYLNXTFBJFO-GFCCVEGCSA-N 0 3 239.359 3.262 20 0 BGADHN Cc1noc(C)c1C[C@@H](C)N[C@@H](C)c1ccoc1 ZINC000178502688 366131602 /nfs/dbraw/zinc/13/16/02/366131602.db2.gz RFWUBRLFCRHCMK-ZJUUUORDSA-N 0 3 248.326 3.166 20 0 BGADHN Cc1noc(C)c1C[C@H](C)N[C@@H](C)c1ccoc1 ZINC000178502707 366131711 /nfs/dbraw/zinc/13/17/11/366131711.db2.gz RFWUBRLFCRHCMK-UWVGGRQHSA-N 0 3 248.326 3.166 20 0 BGADHN Cc1noc(C)c1C[C@@H](C)N[C@H](C)c1ccoc1 ZINC000178502716 366131525 /nfs/dbraw/zinc/13/15/25/366131525.db2.gz RFWUBRLFCRHCMK-NXEZZACHSA-N 0 3 248.326 3.166 20 0 BGADHN Cc1noc(C)c1C[C@H](C)N[C@H](C)c1ccoc1 ZINC000178502731 366131723 /nfs/dbraw/zinc/13/17/23/366131723.db2.gz RFWUBRLFCRHCMK-VHSXEESVSA-N 0 3 248.326 3.166 20 0 BGADHN CC[C@H](N[C@@H](C)C1CCC1)c1nccs1 ZINC000178502891 206008308 /nfs/dbraw/zinc/00/83/08/206008308.db2.gz XUPZBHZPPXRJCD-ONGXEEELSA-N 0 3 224.373 3.372 20 0 BGADHN CC[C@@H](N[C@@H](C)C1CCC1)c1nccs1 ZINC000178502902 385292037 /nfs/dbraw/zinc/29/20/37/385292037.db2.gz XUPZBHZPPXRJCD-GXSJLCMTSA-N 0 3 224.373 3.372 20 0 BGADHN CC[C@H](N[C@H](C)C1CCC1)c1nccs1 ZINC000178502909 385291150 /nfs/dbraw/zinc/29/11/50/385291150.db2.gz XUPZBHZPPXRJCD-KOLCDFICSA-N 0 3 224.373 3.372 20 0 BGADHN CC[C@@H](N[C@H](C)C1CCC1)c1nccs1 ZINC000178502919 385292064 /nfs/dbraw/zinc/29/20/64/385292064.db2.gz XUPZBHZPPXRJCD-MWLCHTKSSA-N 0 3 224.373 3.372 20 0 BGADHN CSCCN(C)[C@@H]1CCc2ccc(F)cc21 ZINC000178504137 134307475 /nfs/dbraw/zinc/30/74/75/134307475.db2.gz SBVYAFMVMVOKQS-CYBMUJFWSA-N 0 3 239.359 3.108 20 0 BGADHN CSCCN(C)[C@H]1CCc2ccc(F)cc21 ZINC000178504153 134307405 /nfs/dbraw/zinc/30/74/05/134307405.db2.gz SBVYAFMVMVOKQS-ZDUSSCGKSA-N 0 3 239.359 3.108 20 0 BGADHN CSCCN(C)Cc1cc(C)sc1C ZINC000178513056 134307500 /nfs/dbraw/zinc/30/75/00/134307500.db2.gz RRADXWZSWMRHON-UHFFFAOYSA-N 0 3 229.414 3.160 20 0 BGADHN CCN(Cc1cc2ccccc2o1)C1CC1 ZINC000178514079 388502180 /nfs/dbraw/zinc/50/21/80/388502180.db2.gz ULKGYBGSIVXMKA-UHFFFAOYSA-N 0 3 215.296 3.417 20 0 BGADHN CN(Cc1cc2ccccc2o1)C1CC1 ZINC000178514577 385384061 /nfs/dbraw/zinc/38/40/61/385384061.db2.gz MHZPQRDBKVQWCY-UHFFFAOYSA-N 0 3 201.269 3.027 20 0 BGADHN CCCCN(CCO)Cc1cc2ccccc2o1 ZINC000178515901 388502113 /nfs/dbraw/zinc/50/21/13/388502113.db2.gz OWINBLJDJJOTOS-UHFFFAOYSA-N 0 3 247.338 3.027 20 0 BGADHN C[C@H]([NH2+]Cc1ccc([O-])c(F)c1)C1CCCC1 ZINC000178526202 635337633 /nfs/dbraw/zinc/33/76/33/635337633.db2.gz NCGHDEOJENDQIR-JTQLQIEISA-N 0 3 237.318 3.200 20 0 BGADHN C[C@@H]([NH2+]Cc1ccc([O-])c(F)c1)C1CCCC1 ZINC000178526209 175898221 /nfs/dbraw/zinc/89/82/21/175898221.db2.gz NCGHDEOJENDQIR-SNVBAGLBSA-N 0 3 237.318 3.200 20 0 BGADHN C[C@@H]1CN(Cc2cc3ccccc3o2)CCCO1 ZINC000178526521 176300926 /nfs/dbraw/zinc/30/09/26/176300926.db2.gz XSUATYXYAUBQEU-GFCCVEGCSA-N 0 3 245.322 3.044 20 0 BGADHN C[C@H]1CN(Cc2cc3ccccc3o2)CCCO1 ZINC000178526530 177260963 /nfs/dbraw/zinc/26/09/63/177260963.db2.gz XSUATYXYAUBQEU-LBPRGKRZSA-N 0 3 245.322 3.044 20 0 BGADHN CO[C@@H]1CCCN(Cc2cc3ccccc3o2)C1 ZINC000178527192 385386243 /nfs/dbraw/zinc/38/62/43/385386243.db2.gz RRFIMYVUXJFACX-CYBMUJFWSA-N 0 3 245.322 3.044 20 0 BGADHN CO[C@H]1CCCN(Cc2cc3ccccc3o2)C1 ZINC000178527200 385385171 /nfs/dbraw/zinc/38/51/71/385385171.db2.gz RRFIMYVUXJFACX-ZDUSSCGKSA-N 0 3 245.322 3.044 20 0 BGADHN C[C@@H]1CSCCN1Cc1cc2ccccc2o1 ZINC000178538478 134307943 /nfs/dbraw/zinc/30/79/43/134307943.db2.gz DPFWRBFFRHCGOJ-LLVKDONJSA-N 0 3 247.363 3.370 20 0 BGADHN C[C@H]1CSCCN1Cc1cc2ccccc2o1 ZINC000178538490 136274558 /nfs/dbraw/zinc/27/45/58/136274558.db2.gz DPFWRBFFRHCGOJ-NSHDSACASA-N 0 3 247.363 3.370 20 0 BGADHN Cc1csc([C@@H](C)N[C@@H](C)C2CCC2)n1 ZINC000178543507 385297040 /nfs/dbraw/zinc/29/70/40/385297040.db2.gz HCOIYLFQUSJYAJ-VHSXEESVSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1csc([C@H](C)N[C@@H](C)C2CCC2)n1 ZINC000178543519 385295799 /nfs/dbraw/zinc/29/57/99/385295799.db2.gz HCOIYLFQUSJYAJ-UWVGGRQHSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1csc([C@@H](C)N[C@H](C)C2CCC2)n1 ZINC000178543528 385296835 /nfs/dbraw/zinc/29/68/35/385296835.db2.gz HCOIYLFQUSJYAJ-NXEZZACHSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1csc([C@H](C)N[C@H](C)C2CCC2)n1 ZINC000178543540 385296512 /nfs/dbraw/zinc/29/65/12/385296512.db2.gz HCOIYLFQUSJYAJ-ZJUUUORDSA-N 0 3 224.373 3.291 20 0 BGADHN CCCC[C@@H]1CCC[C@@H]1NCc1cc(C)on1 ZINC000178617478 388503071 /nfs/dbraw/zinc/50/30/71/388503071.db2.gz COMRBWAZODJLOT-OCCSQVGLSA-N 0 3 236.359 3.432 20 0 BGADHN CCCC[C@H]1CCC[C@@H]1NCc1cc(C)on1 ZINC000178617493 388503054 /nfs/dbraw/zinc/50/30/54/388503054.db2.gz COMRBWAZODJLOT-JSGCOSHPSA-N 0 3 236.359 3.432 20 0 BGADHN CCCC[C@@H]1CCC[C@H]1NCc1cc(C)on1 ZINC000178617503 388503349 /nfs/dbraw/zinc/50/33/49/388503349.db2.gz COMRBWAZODJLOT-TZMCWYRMSA-N 0 3 236.359 3.432 20 0 BGADHN CCCC[C@H]1CCC[C@H]1NCc1cc(C)on1 ZINC000178617512 388502383 /nfs/dbraw/zinc/50/23/83/388502383.db2.gz COMRBWAZODJLOT-GXTWGEPZSA-N 0 3 236.359 3.432 20 0 BGADHN CCCOc1ncccc1CN[C@@H](C)C1CCC1 ZINC000178652995 134312526 /nfs/dbraw/zinc/31/25/26/134312526.db2.gz CEFNMKJNCWGJIV-LBPRGKRZSA-N 0 3 248.370 3.149 20 0 BGADHN CCCOc1ncccc1CN[C@H](C)C1CCC1 ZINC000178653002 134312380 /nfs/dbraw/zinc/31/23/80/134312380.db2.gz CEFNMKJNCWGJIV-GFCCVEGCSA-N 0 3 248.370 3.149 20 0 BGADHN CC(C)CC[C@](C)(O)CN[C@@H](C)c1ccoc1 ZINC000178663851 366153003 /nfs/dbraw/zinc/15/30/03/366153003.db2.gz PSNZTTQVPCNVJZ-JSGCOSHPSA-N 0 3 239.359 3.117 20 0 BGADHN CC(C)CC[C@@](C)(O)CN[C@@H](C)c1ccoc1 ZINC000178663861 366152921 /nfs/dbraw/zinc/15/29/21/366152921.db2.gz PSNZTTQVPCNVJZ-GXTWGEPZSA-N 0 3 239.359 3.117 20 0 BGADHN CC(C)CC[C@](C)(O)CN[C@H](C)c1ccoc1 ZINC000178663878 366152400 /nfs/dbraw/zinc/15/24/00/366152400.db2.gz PSNZTTQVPCNVJZ-OCCSQVGLSA-N 0 3 239.359 3.117 20 0 BGADHN CC(C)CC[C@@](C)(O)CN[C@H](C)c1ccoc1 ZINC000178663891 366152175 /nfs/dbraw/zinc/15/21/75/366152175.db2.gz PSNZTTQVPCNVJZ-TZMCWYRMSA-N 0 3 239.359 3.117 20 0 BGADHN CC(C)(C)CN[C@@H]1CCOc2ccc(F)cc21 ZINC000178678814 534612285 /nfs/dbraw/zinc/61/22/85/534612285.db2.gz OPWQNJYHPJVZGH-GFCCVEGCSA-N 0 3 237.318 3.285 20 0 BGADHN CC(C)(C)CN[C@H]1CCOc2ccc(F)cc21 ZINC000178678825 534612703 /nfs/dbraw/zinc/61/27/03/534612703.db2.gz OPWQNJYHPJVZGH-LBPRGKRZSA-N 0 3 237.318 3.285 20 0 BGADHN CC[C@@H](C)[C@@H](C)NCc1cn2cc(C)ccc2n1 ZINC000178725584 366158058 /nfs/dbraw/zinc/15/80/58/366158058.db2.gz QMFVZKCBXUUMNJ-CHWSQXEVSA-N 0 3 245.370 3.167 20 0 BGADHN CC[C@H](C)[C@@H](C)NCc1cn2cc(C)ccc2n1 ZINC000178725593 366157935 /nfs/dbraw/zinc/15/79/35/366157935.db2.gz QMFVZKCBXUUMNJ-QWHCGFSZSA-N 0 3 245.370 3.167 20 0 BGADHN CC[C@@H](C)[C@H](C)NCc1cn2cc(C)ccc2n1 ZINC000178725603 366157837 /nfs/dbraw/zinc/15/78/37/366157837.db2.gz QMFVZKCBXUUMNJ-OLZOCXBDSA-N 0 3 245.370 3.167 20 0 BGADHN CC[C@H](C)[C@H](C)NCc1cn2cc(C)ccc2n1 ZINC000178725614 366157908 /nfs/dbraw/zinc/15/79/08/366157908.db2.gz QMFVZKCBXUUMNJ-STQMWFEESA-N 0 3 245.370 3.167 20 0 BGADHN COc1cccc(CN(C(C)C)C2CC2)c1OC ZINC000178739155 175253631 /nfs/dbraw/zinc/25/36/31/175253631.db2.gz AVWMPSZWMPUWTF-UHFFFAOYSA-N 0 3 249.354 3.077 20 0 BGADHN CC(C)N(Cc1ccccc1F)C(C)C ZINC000178739613 134311108 /nfs/dbraw/zinc/31/11/08/134311108.db2.gz PQMFPNJRCCYROF-UHFFFAOYSA-N 0 3 209.308 3.445 20 0 BGADHN Fc1ccc(/C=C/CNCc2ccoc2)cc1 ZINC000178740993 346964416 /nfs/dbraw/zinc/96/44/16/346964416.db2.gz UDJQYSKDDDTKKL-OWOJBTEDSA-N 0 3 231.270 3.222 20 0 BGADHN C1=C[C@H](N2CCN(C3CCCCC3)CC2)CCC1 ZINC000178745979 366160481 /nfs/dbraw/zinc/16/04/81/366160481.db2.gz DNHIXPLHJSVBCI-HNNXBMFYSA-N 0 3 248.414 3.045 20 0 BGADHN C1=C[C@@H](N2CCN(C3CCCCC3)CC2)CCC1 ZINC000178745987 366160478 /nfs/dbraw/zinc/16/04/78/366160478.db2.gz DNHIXPLHJSVBCI-OAHLLOKOSA-N 0 3 248.414 3.045 20 0 BGADHN CC[C@H](NCc1cc(C)no1)C1CCCCC1 ZINC000178749553 385327541 /nfs/dbraw/zinc/32/75/41/385327541.db2.gz ZOVRKRZGLWFZKI-AWEZNQCLSA-N 0 3 236.359 3.432 20 0 BGADHN CC[C@@H](NCc1cc(C)no1)C1CCCCC1 ZINC000178749562 385327919 /nfs/dbraw/zinc/32/79/19/385327919.db2.gz ZOVRKRZGLWFZKI-CQSZACIVSA-N 0 3 236.359 3.432 20 0 BGADHN CC(C)=CCN[C@@H](C)c1ccc2c(c1)OCO2 ZINC000178772129 385419200 /nfs/dbraw/zinc/41/92/00/385419200.db2.gz RJHIDZKHHBHHBM-NSHDSACASA-N 0 3 233.311 3.032 20 0 BGADHN CC(C)=CCN[C@H](C)c1ccc2c(c1)OCO2 ZINC000178772139 191126736 /nfs/dbraw/zinc/12/67/36/191126736.db2.gz RJHIDZKHHBHHBM-LLVKDONJSA-N 0 3 233.311 3.032 20 0 BGADHN CC(C)=CCN[C@@H]1CCc2cc(F)ccc21 ZINC000178772179 385326280 /nfs/dbraw/zinc/32/62/80/385326280.db2.gz HLYNROQXJHNXOM-CQSZACIVSA-N 0 3 219.303 3.369 20 0 BGADHN CC(C)=CCN[C@H]1CCc2cc(F)ccc21 ZINC000178772194 385327350 /nfs/dbraw/zinc/32/73/50/385327350.db2.gz HLYNROQXJHNXOM-AWEZNQCLSA-N 0 3 219.303 3.369 20 0 BGADHN CCO[C@@H]1C[C@H](N[C@@H](C)c2ccoc2)C12CCC2 ZINC000178819811 134315830 /nfs/dbraw/zinc/31/58/30/134315830.db2.gz ZHYZPHMYDRARSK-FPMFFAJLSA-N 0 3 249.354 3.278 20 0 BGADHN CCO[C@@H]1C[C@@H](N[C@@H](C)c2ccoc2)C12CCC2 ZINC000178819828 134315559 /nfs/dbraw/zinc/31/55/59/134315559.db2.gz ZHYZPHMYDRARSK-IACUBPJLSA-N 0 3 249.354 3.278 20 0 BGADHN CCC(C)(C)[C@@H]1CCCN1Cc1cc(C)no1 ZINC000178907306 134313308 /nfs/dbraw/zinc/31/33/08/134313308.db2.gz MVVUISSOUKUIBQ-ZDUSSCGKSA-N 0 3 236.359 3.384 20 0 BGADHN CCC(C)(C)[C@H]1CCCN1Cc1cc(C)no1 ZINC000178907320 134313406 /nfs/dbraw/zinc/31/34/06/134313406.db2.gz MVVUISSOUKUIBQ-CYBMUJFWSA-N 0 3 236.359 3.384 20 0 BGADHN CC(C)[C@@H]1CCC[C@H](NCc2cocn2)CC1 ZINC000178923380 366182244 /nfs/dbraw/zinc/18/22/44/366182244.db2.gz NGCOIJILXLWREQ-OLZOCXBDSA-N 0 3 236.359 3.369 20 0 BGADHN CC(C)[C@H]1CCC[C@H](NCc2cocn2)CC1 ZINC000178923394 366182342 /nfs/dbraw/zinc/18/23/42/366182342.db2.gz NGCOIJILXLWREQ-STQMWFEESA-N 0 3 236.359 3.369 20 0 BGADHN CC(C)[C@@H]1CCC[C@@H](NCc2cocn2)CC1 ZINC000178923406 366182395 /nfs/dbraw/zinc/18/23/95/366182395.db2.gz NGCOIJILXLWREQ-CHWSQXEVSA-N 0 3 236.359 3.369 20 0 BGADHN CC(C)[C@H]1CCC[C@@H](NCc2cocn2)CC1 ZINC000178923418 366182378 /nfs/dbraw/zinc/18/23/78/366182378.db2.gz NGCOIJILXLWREQ-QWHCGFSZSA-N 0 3 236.359 3.369 20 0 BGADHN CC(C)n1ccc(CN2CC[C@@H](C)C[C@@H](C)C2)n1 ZINC000178968108 385353449 /nfs/dbraw/zinc/35/34/49/385353449.db2.gz XTIQPIRFQNQGHG-ZIAGYGMSSA-N 0 3 249.402 3.332 20 0 BGADHN CC(C)n1ccc(CN2CC[C@H](C)C[C@@H](C)C2)n1 ZINC000178968116 385353047 /nfs/dbraw/zinc/35/30/47/385353047.db2.gz XTIQPIRFQNQGHG-UONOGXRCSA-N 0 3 249.402 3.332 20 0 BGADHN CCN(Cc1ccc(OC)c(Cl)c1)C1CC1 ZINC000178981401 366196933 /nfs/dbraw/zinc/19/69/33/366196933.db2.gz QUYRRGBLCACFJG-UHFFFAOYSA-N 0 3 239.746 3.333 20 0 BGADHN CSCCN([C@@H](C)c1ccco1)C1CC1 ZINC000178999781 385433214 /nfs/dbraw/zinc/43/32/14/385433214.db2.gz ZFCZTGFUIMBJPF-JTQLQIEISA-N 0 3 225.357 3.168 20 0 BGADHN CSCCN([C@H](C)c1ccco1)C1CC1 ZINC000178999787 385432413 /nfs/dbraw/zinc/43/24/13/385432413.db2.gz ZFCZTGFUIMBJPF-SNVBAGLBSA-N 0 3 225.357 3.168 20 0 BGADHN Cc1csc(C2CCN(C3CCC3)CC2)n1 ZINC000179004220 134314228 /nfs/dbraw/zinc/31/42/28/134314228.db2.gz JYWCXHJZBGMLOW-UHFFFAOYSA-N 0 3 236.384 3.183 20 0 BGADHN CC(C)n1cc(CNCCC2=CCCC2)cn1 ZINC000179014593 387926693 /nfs/dbraw/zinc/92/66/93/387926693.db2.gz QDODSYAXYLAAPQ-UHFFFAOYSA-N 0 3 233.359 3.054 20 0 BGADHN CCN(CCc1nccs1)[C@H]1C=CCCC1 ZINC000179036291 538954515 /nfs/dbraw/zinc/95/45/15/538954515.db2.gz CJCIJKGBEPGIGS-LBPRGKRZSA-N 0 3 236.384 3.116 20 0 BGADHN CCN(CCc1nccs1)[C@@H]1C=CCCC1 ZINC000179036301 538954483 /nfs/dbraw/zinc/95/44/83/538954483.db2.gz CJCIJKGBEPGIGS-GFCCVEGCSA-N 0 3 236.384 3.116 20 0 BGADHN Cc1cccc(CN(C)CCc2nccs2)c1 ZINC000179078495 179066815 /nfs/dbraw/zinc/06/68/15/179066815.db2.gz ZFFVIQRGWHXSCD-UHFFFAOYSA-N 0 3 246.379 3.126 20 0 BGADHN Cl/C=C/CN[C@@H](c1ccccc1)C1CC1 ZINC000179108312 385365203 /nfs/dbraw/zinc/36/52/03/385365203.db2.gz WHIAMEXJQKSGCA-FAFAAHBOSA-N 0 3 221.731 3.480 20 0 BGADHN Cl/C=C/CN[C@H](c1ccccc1)C1CC1 ZINC000179108324 385365207 /nfs/dbraw/zinc/36/52/07/385365207.db2.gz WHIAMEXJQKSGCA-QGQQYVBWSA-N 0 3 221.731 3.480 20 0 BGADHN CN(C)CCS[C@@H]1CCc2ccc(F)cc21 ZINC000179166228 366216875 /nfs/dbraw/zinc/21/68/75/366216875.db2.gz YQYAMTIJTFOIKW-CYBMUJFWSA-N 0 3 239.359 3.108 20 0 BGADHN CN(C)CCS[C@H]1CCc2ccc(F)cc21 ZINC000179166239 366216581 /nfs/dbraw/zinc/21/65/81/366216581.db2.gz YQYAMTIJTFOIKW-ZDUSSCGKSA-N 0 3 239.359 3.108 20 0 BGADHN Cc1cc(CSCCN(C)C)c(C)s1 ZINC000179167800 366216280 /nfs/dbraw/zinc/21/62/80/366216280.db2.gz SJOZRWFDRUZWTH-UHFFFAOYSA-N 0 3 229.414 3.160 20 0 BGADHN CCc1ccc(CSCCN(C)C)cc1 ZINC000179169161 366216425 /nfs/dbraw/zinc/21/64/25/366216425.db2.gz NIQUGNYBXJLEDZ-UHFFFAOYSA-N 0 3 223.385 3.044 20 0 BGADHN c1csc(CN2CCC[C@@H]3CCCC[C@@H]32)n1 ZINC000179188635 488201852 /nfs/dbraw/zinc/20/18/52/488201852.db2.gz MVXVCZHNNBMSAW-RYUDHWBXSA-N 0 3 236.384 3.298 20 0 BGADHN CC(C)CN(Cc1nccs1)C(C)C ZINC000179196790 346976980 /nfs/dbraw/zinc/97/69/80/346976980.db2.gz CCISFYGCWUEYCI-UHFFFAOYSA-N 0 3 212.362 3.010 20 0 BGADHN CC(C)CSCCN[C@@H](C)c1cccnc1 ZINC000179209402 385374351 /nfs/dbraw/zinc/37/43/51/385374351.db2.gz KNVBXZAONWXOPO-LBPRGKRZSA-N 0 3 238.400 3.121 20 0 BGADHN CC(C)CSCCN[C@H](C)c1cccnc1 ZINC000179209413 385374659 /nfs/dbraw/zinc/37/46/59/385374659.db2.gz KNVBXZAONWXOPO-GFCCVEGCSA-N 0 3 238.400 3.121 20 0 BGADHN CC(C)CSCCN[C@@H](C)c1ccncc1 ZINC000179209514 188081322 /nfs/dbraw/zinc/08/13/22/188081322.db2.gz WHWJYCPPZPMNMI-LBPRGKRZSA-N 0 3 238.400 3.121 20 0 BGADHN CC(C)CSCCN[C@H](C)c1ccncc1 ZINC000179209526 187228169 /nfs/dbraw/zinc/22/81/69/187228169.db2.gz WHWJYCPPZPMNMI-GFCCVEGCSA-N 0 3 238.400 3.121 20 0 BGADHN Cc1cc(CN(C)[C@@H]2CCSC2)c(C)s1 ZINC000179258836 385455550 /nfs/dbraw/zinc/45/55/50/385455550.db2.gz HENONUHZKOZVKK-GFCCVEGCSA-N 0 3 241.425 3.302 20 0 BGADHN Cc1cc(CN(C)[C@H]2CCSC2)c(C)s1 ZINC000179258845 385455746 /nfs/dbraw/zinc/45/57/46/385455746.db2.gz HENONUHZKOZVKK-LBPRGKRZSA-N 0 3 241.425 3.302 20 0 BGADHN C[C@H](C[C@H](O)c1ccco1)N[C@@H](C)c1ccoc1 ZINC000179260561 632674197 /nfs/dbraw/zinc/67/41/97/632674197.db2.gz NZBLNKXZHHLWET-MDZLAQPJSA-N 0 3 249.310 3.035 20 0 BGADHN C[C@H](C[C@@H](O)c1ccco1)N[C@@H](C)c1ccoc1 ZINC000179260580 632673596 /nfs/dbraw/zinc/67/35/96/632673596.db2.gz NZBLNKXZHHLWET-NTZNESFSSA-N 0 3 249.310 3.035 20 0 BGADHN Cc1ccc(CN(C2CC2)C2CCCC2)o1 ZINC000179296928 366240627 /nfs/dbraw/zinc/24/06/27/366240627.db2.gz GHALXMPYKMWGLW-UHFFFAOYSA-N 0 3 219.328 3.495 20 0 BGADHN CCN(Cc1cnc2c(C)cccn12)CC(C)C ZINC000179301988 386635707 /nfs/dbraw/zinc/63/57/07/386635707.db2.gz PCLYQXJWJPRJFA-UHFFFAOYSA-N 0 3 245.370 3.121 20 0 BGADHN CCN(Cc1c[nH]nc1C(C)(C)C)CC(C)C ZINC000179302090 386633068 /nfs/dbraw/zinc/63/30/68/386633068.db2.gz ZXFNSHFZWBNQQV-UHFFFAOYSA-N 0 3 237.391 3.185 20 0 BGADHN CCN(Cc1cnc2ccc(C)cn12)CC(C)C ZINC000179302524 386635286 /nfs/dbraw/zinc/63/52/86/386635286.db2.gz MOFLOFRDLAZEOS-UHFFFAOYSA-N 0 3 245.370 3.121 20 0 BGADHN CCN(CCc1ccccc1)Cc1cncs1 ZINC000179302567 386633490 /nfs/dbraw/zinc/63/34/90/386633490.db2.gz ZGEHOIVHVRTCCS-UHFFFAOYSA-N 0 3 246.379 3.208 20 0 BGADHN CN(C/C=C/c1ccc(Cl)cc1)C1CC1 ZINC000179304334 386633286 /nfs/dbraw/zinc/63/32/86/386633286.db2.gz LCDOIWQGNFDNAV-NSCUHMNNSA-N 0 3 221.731 3.447 20 0 BGADHN CC(C)COc1ccc(CN(C)C2CC2)cc1 ZINC000179304586 386634579 /nfs/dbraw/zinc/63/45/79/386634579.db2.gz TXEUNVIOOVDTEF-UHFFFAOYSA-N 0 3 233.355 3.316 20 0 BGADHN CN(Cc1ccc(F)c(C(F)(F)F)c1)C1CC1 ZINC000179304838 386634606 /nfs/dbraw/zinc/63/46/06/386634606.db2.gz DYHAIZTUXNVRAV-UHFFFAOYSA-N 0 3 247.235 3.439 20 0 BGADHN CN(Cc1ccc(Cl)c(F)c1)C1CC1 ZINC000179306007 385458864 /nfs/dbraw/zinc/45/88/64/385458864.db2.gz SFGVNDXLXMEMEK-UHFFFAOYSA-N 0 3 213.683 3.073 20 0 BGADHN CN(Cc1ccc(F)cc1C(F)(F)F)C1CC1 ZINC000179306122 386635782 /nfs/dbraw/zinc/63/57/82/386635782.db2.gz JPMIYXYXOAMGAW-UHFFFAOYSA-N 0 3 247.235 3.439 20 0 BGADHN CN(CCCc1ccccc1)Cc1cncs1 ZINC000179317012 386638710 /nfs/dbraw/zinc/63/87/10/386638710.db2.gz LPBKQTBCYSUDRH-UHFFFAOYSA-N 0 3 246.379 3.208 20 0 BGADHN CC[C@@H](C)N(C)Cc1cc(F)cc(F)c1 ZINC000179322514 256670207 /nfs/dbraw/zinc/67/02/07/256670207.db2.gz LVNKCSSHHRTNTC-SECBINFHSA-N 0 3 213.271 3.195 20 0 BGADHN CC[C@H](C)N(C)Cc1cc(F)cc(F)c1 ZINC000179322520 386637165 /nfs/dbraw/zinc/63/71/65/386637165.db2.gz LVNKCSSHHRTNTC-VIFPVBQESA-N 0 3 213.271 3.195 20 0 BGADHN CC[C@@H](C)N(C)Cc1cc(C)ccc1F ZINC000179322546 386637388 /nfs/dbraw/zinc/63/73/88/386637388.db2.gz KXBDHFCGQOIYTJ-LLVKDONJSA-N 0 3 209.308 3.364 20 0 BGADHN CC[C@H](C)N(C)Cc1cc(C)ccc1F ZINC000179322556 256670082 /nfs/dbraw/zinc/67/00/82/256670082.db2.gz KXBDHFCGQOIYTJ-NSHDSACASA-N 0 3 209.308 3.364 20 0 BGADHN CCCn1nc(C)c(CN(C)[C@@H](C)CC)c1C ZINC000179322614 386637807 /nfs/dbraw/zinc/63/78/07/386637807.db2.gz OLOZPWZQVIESFI-NSHDSACASA-N 0 3 237.391 3.140 20 0 BGADHN CCCn1nc(C)c(CN(C)[C@H](C)CC)c1C ZINC000179322622 256670099 /nfs/dbraw/zinc/67/00/99/256670099.db2.gz OLOZPWZQVIESFI-LLVKDONJSA-N 0 3 237.391 3.140 20 0 BGADHN CC[C@@H](C)N(C)Cc1cnc(-c2ccccc2)[nH]1 ZINC000179323784 386636721 /nfs/dbraw/zinc/63/67/21/386636721.db2.gz MELXWRMMEKGOIP-GFCCVEGCSA-N 0 3 243.354 3.307 20 0 BGADHN CC[C@@H](C)N(C)Cc1c[nH]c(-c2ccccc2)n1 ZINC000179323784 386636715 /nfs/dbraw/zinc/63/67/15/386636715.db2.gz MELXWRMMEKGOIP-GFCCVEGCSA-N 0 3 243.354 3.307 20 0 BGADHN CC[C@H](C)N(C)Cc1cnc(-c2ccccc2)[nH]1 ZINC000179323794 386638085 /nfs/dbraw/zinc/63/80/85/386638085.db2.gz MELXWRMMEKGOIP-LBPRGKRZSA-N 0 3 243.354 3.307 20 0 BGADHN CC[C@H](C)N(C)Cc1c[nH]c(-c2ccccc2)n1 ZINC000179323794 386638081 /nfs/dbraw/zinc/63/80/81/386638081.db2.gz MELXWRMMEKGOIP-LBPRGKRZSA-N 0 3 243.354 3.307 20 0 BGADHN CC[C@@H](C)N(C)Cc1cc(F)c(F)c(F)c1 ZINC000179324088 386638383 /nfs/dbraw/zinc/63/83/83/386638383.db2.gz JVHYITXGXOPHMS-MRVPVSSYSA-N 0 3 231.261 3.334 20 0 BGADHN CC[C@H](C)N(C)Cc1cc(F)c(F)c(F)c1 ZINC000179324093 386636919 /nfs/dbraw/zinc/63/69/19/386636919.db2.gz JVHYITXGXOPHMS-QMMMGPOBSA-N 0 3 231.261 3.334 20 0 BGADHN CC[C@@H](C)N(C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000179325547 386638326 /nfs/dbraw/zinc/63/83/26/386638326.db2.gz HZRYYQAXVDOPTN-GFCCVEGCSA-N 0 3 243.354 3.307 20 0 BGADHN CC[C@H](C)N(C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000179325557 386637087 /nfs/dbraw/zinc/63/70/87/386637087.db2.gz HZRYYQAXVDOPTN-LBPRGKRZSA-N 0 3 243.354 3.307 20 0 BGADHN CCC[C@@H](C)N(C)Cc1scnc1C ZINC000179326089 169364896 /nfs/dbraw/zinc/36/48/96/169364896.db2.gz APZQRCQPHVHMCH-SECBINFHSA-N 0 3 212.362 3.072 20 0 BGADHN CCC[C@H](C)N(C)Cc1scnc1C ZINC000179326097 385459646 /nfs/dbraw/zinc/45/96/46/385459646.db2.gz APZQRCQPHVHMCH-VIFPVBQESA-N 0 3 212.362 3.072 20 0 BGADHN COc1ccc(CN2CCC[C@H]2C)cc1Cl ZINC000179349297 386634368 /nfs/dbraw/zinc/63/43/68/386634368.db2.gz BSMHFYGUXZIVOB-SNVBAGLBSA-N 0 3 239.746 3.333 20 0 BGADHN COc1ccc(CN2CCC[C@@H]2C)cc1Cl ZINC000179349307 386633379 /nfs/dbraw/zinc/63/33/79/386633379.db2.gz BSMHFYGUXZIVOB-JTQLQIEISA-N 0 3 239.746 3.333 20 0 BGADHN Cc1ccc2c(c1)[C@H](NCc1cc[nH]c1)CCC2 ZINC000179361791 385462942 /nfs/dbraw/zinc/46/29/42/385462942.db2.gz OQPLALBGKYHHNH-MRXNPFEDSA-N 0 3 240.350 3.490 20 0 BGADHN Cc1ccc2c(c1)[C@@H](NCc1cc[nH]c1)CCC2 ZINC000179361803 385463197 /nfs/dbraw/zinc/46/31/97/385463197.db2.gz OQPLALBGKYHHNH-INIZCTEOSA-N 0 3 240.350 3.490 20 0 BGADHN COC[C@H](C)N(C)Cc1cc2ccccc2s1 ZINC000179367638 134316461 /nfs/dbraw/zinc/31/64/61/134316461.db2.gz BSWLVTWSVUHZOW-NSHDSACASA-N 0 3 249.379 3.368 20 0 BGADHN COC[C@@H](C)N(C)Cc1cc2ccccc2s1 ZINC000179367646 134316595 /nfs/dbraw/zinc/31/65/95/134316595.db2.gz BSWLVTWSVUHZOW-LLVKDONJSA-N 0 3 249.379 3.368 20 0 BGADHN COC[C@H](C)N(C)Cc1c(C)oc2ccccc21 ZINC000179369975 134316581 /nfs/dbraw/zinc/31/65/81/134316581.db2.gz IHYGRLFBSQJAGS-NSHDSACASA-N 0 3 247.338 3.208 20 0 BGADHN COC[C@@H](C)N(C)Cc1c(C)oc2ccccc21 ZINC000179369989 134316636 /nfs/dbraw/zinc/31/66/36/134316636.db2.gz IHYGRLFBSQJAGS-LLVKDONJSA-N 0 3 247.338 3.208 20 0 BGADHN COC[C@H](C)N(C)C/C(C)=C/c1ccccc1 ZINC000179370489 385464105 /nfs/dbraw/zinc/46/41/05/385464105.db2.gz WHTOVPZARJUPNT-UELRPHRMSA-N 0 3 233.355 3.057 20 0 BGADHN COC[C@@H](C)N(C)C/C(C)=C/c1ccccc1 ZINC000179370499 385463185 /nfs/dbraw/zinc/46/31/85/385463185.db2.gz WHTOVPZARJUPNT-JWAFFJSPSA-N 0 3 233.355 3.057 20 0 BGADHN CN(Cc1cccc(Cl)c1F)CC1CC1 ZINC000179385843 134316612 /nfs/dbraw/zinc/31/66/12/134316612.db2.gz AADILWHAOHOAHV-UHFFFAOYSA-N 0 3 227.710 3.321 20 0 BGADHN C[C@@H]1CCc2ccccc2[C@@H]1NCc1cc[nH]c1 ZINC000179394864 176240443 /nfs/dbraw/zinc/24/04/43/176240443.db2.gz WESNVYDBAIKGQJ-MLGOLLRUSA-N 0 3 240.350 3.428 20 0 BGADHN C[C@H]1CCc2ccccc2[C@@H]1NCc1cc[nH]c1 ZINC000179394876 177210232 /nfs/dbraw/zinc/21/02/32/177210232.db2.gz WESNVYDBAIKGQJ-BLLLJJGKSA-N 0 3 240.350 3.428 20 0 BGADHN C[C@@H]1CCc2ccccc2[C@H]1NCc1cc[nH]c1 ZINC000179394885 176240523 /nfs/dbraw/zinc/24/05/23/176240523.db2.gz WESNVYDBAIKGQJ-WBMJQRKESA-N 0 3 240.350 3.428 20 0 BGADHN C[C@H]1CCc2ccccc2[C@H]1NCc1cc[nH]c1 ZINC000179394894 177210216 /nfs/dbraw/zinc/21/02/16/177210216.db2.gz WESNVYDBAIKGQJ-LRDDRELGSA-N 0 3 240.350 3.428 20 0 BGADHN C[C@@H]1CN(Cc2coc3ccccc23)CCCO1 ZINC000179395607 538954778 /nfs/dbraw/zinc/95/47/78/538954778.db2.gz UKPPJQXIZJEYNJ-GFCCVEGCSA-N 0 3 245.322 3.044 20 0 BGADHN C[C@H]1CN(Cc2coc3ccccc23)CCCO1 ZINC000179395619 538954797 /nfs/dbraw/zinc/95/47/97/538954797.db2.gz UKPPJQXIZJEYNJ-LBPRGKRZSA-N 0 3 245.322 3.044 20 0 BGADHN C/C(=C\c1ccccc1)CN1CCCO[C@H](C)C1 ZINC000179398512 187307980 /nfs/dbraw/zinc/30/79/80/187307980.db2.gz PTJZGJFCGQCNJM-ATGUSINASA-N 0 3 245.366 3.201 20 0 BGADHN C/C(=C\c1ccccc1)CN1CCCO[C@@H](C)C1 ZINC000179398521 385465523 /nfs/dbraw/zinc/46/55/23/385465523.db2.gz PTJZGJFCGQCNJM-GOFCXVBSSA-N 0 3 245.366 3.201 20 0 BGADHN COC[C@H](C)N1CC=C(c2cccc(C)c2)CC1 ZINC000179401850 134317472 /nfs/dbraw/zinc/31/74/72/134317472.db2.gz OECSFKVGAPBTAM-AWEZNQCLSA-N 0 3 245.366 3.119 20 0 BGADHN COC[C@@H](C)N1CC=C(c2cccc(C)c2)CC1 ZINC000179401860 536522584 /nfs/dbraw/zinc/52/25/84/536522584.db2.gz OECSFKVGAPBTAM-CQSZACIVSA-N 0 3 245.366 3.119 20 0 BGADHN CC[C@@H]1C[C@H](C)CC[C@@H]1NCc1nccs1 ZINC000179402927 385375351 /nfs/dbraw/zinc/37/53/51/385375351.db2.gz OCCKKHMRNRVHKF-UTUOFQBUSA-N 0 3 238.400 3.448 20 0 BGADHN CC[C@@H]1C[C@@H](C)CC[C@@H]1NCc1nccs1 ZINC000179402941 385374159 /nfs/dbraw/zinc/37/41/59/385374159.db2.gz OCCKKHMRNRVHKF-TUAOUCFPSA-N 0 3 238.400 3.448 20 0 BGADHN CC[C@@H]1C[C@H](C)CC[C@@H]1NCc1cc(C)no1 ZINC000179409049 134317413 /nfs/dbraw/zinc/31/74/13/134317413.db2.gz ITYRGKIMSAKPBA-QKCSRTOESA-N 0 3 236.359 3.287 20 0 BGADHN CC[C@H]1C[C@H](C)CC[C@@H]1NCc1cc(C)no1 ZINC000179409063 346983948 /nfs/dbraw/zinc/98/39/48/346983948.db2.gz ITYRGKIMSAKPBA-OSMZGAPFSA-N 0 3 236.359 3.287 20 0 BGADHN CC[C@@H]1C[C@@H](C)CC[C@@H]1NCc1cc(C)no1 ZINC000179409075 134317779 /nfs/dbraw/zinc/31/77/79/134317779.db2.gz ITYRGKIMSAKPBA-SUHUHFCYSA-N 0 3 236.359 3.287 20 0 BGADHN CC[C@H]1C[C@@H](C)CC[C@@H]1NCc1cc(C)no1 ZINC000179409086 134317829 /nfs/dbraw/zinc/31/78/29/134317829.db2.gz ITYRGKIMSAKPBA-JKOKRWQUSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1ncsc1CN(C)C[C@H]1CC=CCC1 ZINC000179425847 180313615 /nfs/dbraw/zinc/31/36/15/180313615.db2.gz GPKAUHLZGRRUMK-LBPRGKRZSA-N 0 3 236.384 3.240 20 0 BGADHN Cc1ncsc1CN(C)C[C@@H]1CC=CCC1 ZINC000179425860 180312048 /nfs/dbraw/zinc/31/20/48/180312048.db2.gz GPKAUHLZGRRUMK-GFCCVEGCSA-N 0 3 236.384 3.240 20 0 BGADHN Cc1cnc(CCN(C)[C@H]2C=CCCC2)s1 ZINC000179468467 385468174 /nfs/dbraw/zinc/46/81/74/385468174.db2.gz JLDLKWLOUDJEHT-LBPRGKRZSA-N 0 3 236.384 3.035 20 0 BGADHN Cc1cnc(CCN(C)[C@@H]2C=CCCC2)s1 ZINC000179468481 385468274 /nfs/dbraw/zinc/46/82/74/385468274.db2.gz JLDLKWLOUDJEHT-GFCCVEGCSA-N 0 3 236.384 3.035 20 0 BGADHN COCC[C@H](C)N[C@@H](C)c1cccc(F)c1F ZINC000179478613 385468803 /nfs/dbraw/zinc/46/88/03/385468803.db2.gz JMNCECHNRZKEND-UWVGGRQHSA-N 0 3 243.297 3.040 20 0 BGADHN COCC[C@@H](C)N[C@@H](C)c1cccc(F)c1F ZINC000179478628 174385709 /nfs/dbraw/zinc/38/57/09/174385709.db2.gz JMNCECHNRZKEND-ZJUUUORDSA-N 0 3 243.297 3.040 20 0 BGADHN COCC[C@H](C)N[C@H](C)c1cccc(F)c1F ZINC000179478639 385468688 /nfs/dbraw/zinc/46/86/88/385468688.db2.gz JMNCECHNRZKEND-VHSXEESVSA-N 0 3 243.297 3.040 20 0 BGADHN COCC[C@@H](C)N[C@H](C)c1cccc(F)c1F ZINC000179478649 174385313 /nfs/dbraw/zinc/38/53/13/174385313.db2.gz JMNCECHNRZKEND-NXEZZACHSA-N 0 3 243.297 3.040 20 0 BGADHN CCc1ccc(CN(C(C)C)C2CC2)o1 ZINC000179484956 134321615 /nfs/dbraw/zinc/32/16/15/134321615.db2.gz QAMBSFYHMKVKEO-UHFFFAOYSA-N 0 3 207.317 3.215 20 0 BGADHN CC(C)N(Cc1cc(F)c(F)c(F)c1)C1CC1 ZINC000179485175 535087647 /nfs/dbraw/zinc/08/76/47/535087647.db2.gz NVUUXBPBDMHPBU-UHFFFAOYSA-N 0 3 243.272 3.477 20 0 BGADHN CC(C)N(Cc1cnn(C(C)(C)C)c1)C1CC1 ZINC000179485630 535117359 /nfs/dbraw/zinc/11/73/59/535117359.db2.gz ZEQZUZHXYJMRGN-UHFFFAOYSA-N 0 3 235.375 3.011 20 0 BGADHN Cc1ccc2ncc(CN(C(C)C)C3CC3)n2c1 ZINC000179485698 385469093 /nfs/dbraw/zinc/46/90/93/385469093.db2.gz QDCGAMOLAWENKD-UHFFFAOYSA-N 0 3 243.354 3.016 20 0 BGADHN CCCn1cc(CN([C@@H](C)C(C)C)C2CC2)cn1 ZINC000179496169 384294691 /nfs/dbraw/zinc/29/46/91/384294691.db2.gz HLZRKFPDVGGKIJ-ZDUSSCGKSA-N 0 3 249.402 3.302 20 0 BGADHN CCCn1cc(CN([C@H](C)C(C)C)C2CC2)cn1 ZINC000179496184 384296105 /nfs/dbraw/zinc/29/61/05/384296105.db2.gz HLZRKFPDVGGKIJ-CYBMUJFWSA-N 0 3 249.402 3.302 20 0 BGADHN CC(C)[C@@H](C)N(Cc1cnn(C(C)C)c1)C1CC1 ZINC000179496309 384295218 /nfs/dbraw/zinc/29/52/18/384295218.db2.gz WAMAPTRGLXTQSH-CYBMUJFWSA-N 0 3 249.402 3.473 20 0 BGADHN CC(C)[C@H](C)N(Cc1cnn(C(C)C)c1)C1CC1 ZINC000179496316 384296005 /nfs/dbraw/zinc/29/60/05/384296005.db2.gz WAMAPTRGLXTQSH-ZDUSSCGKSA-N 0 3 249.402 3.473 20 0 BGADHN Cc1ncsc1CN([C@@H](C)C(C)C)C1CC1 ZINC000179496706 384295738 /nfs/dbraw/zinc/29/57/38/384295738.db2.gz NYTDGXNXHZDDEN-NSHDSACASA-N 0 3 238.400 3.460 20 0 BGADHN Cc1ncsc1CN([C@H](C)C(C)C)C1CC1 ZINC000179496722 384294618 /nfs/dbraw/zinc/29/46/18/384294618.db2.gz NYTDGXNXHZDDEN-LLVKDONJSA-N 0 3 238.400 3.460 20 0 BGADHN CC(C)(C)N(Cc1cnc[nH]1)Cc1ccccc1 ZINC000179504151 385469599 /nfs/dbraw/zinc/46/95/99/385469599.db2.gz NQYZSEJWEXBOSM-UHFFFAOYSA-N 0 3 243.354 3.210 20 0 BGADHN CC[C@@H]1CCCCN1Cc1cnn(C(C)C)c1 ZINC000179505347 384296934 /nfs/dbraw/zinc/29/69/34/384296934.db2.gz WEYVQCDYRHTLAZ-CQSZACIVSA-N 0 3 235.375 3.229 20 0 BGADHN CC[C@H]1CCCCN1Cc1cnn(C(C)C)c1 ZINC000179505359 384298057 /nfs/dbraw/zinc/29/80/57/384298057.db2.gz WEYVQCDYRHTLAZ-AWEZNQCLSA-N 0 3 235.375 3.229 20 0 BGADHN CC[C@@H]1CCCCN1Cc1cnn2ccccc12 ZINC000179505413 384299332 /nfs/dbraw/zinc/29/93/32/384299332.db2.gz TZQDQUUAZNNSQW-CQSZACIVSA-N 0 3 243.354 3.099 20 0 BGADHN CC[C@H]1CCCCN1Cc1cnn2ccccc12 ZINC000179505425 384297064 /nfs/dbraw/zinc/29/70/64/384297064.db2.gz TZQDQUUAZNNSQW-AWEZNQCLSA-N 0 3 243.354 3.099 20 0 BGADHN CC(C)n1cc(CN(C)C2CCCCC2)cn1 ZINC000179506151 384297298 /nfs/dbraw/zinc/29/72/98/384297298.db2.gz MMBLGRDBPKRARK-UHFFFAOYSA-N 0 3 235.375 3.229 20 0 BGADHN CC(C)CN(Cc1cnn(C(C)C)c1)C1CC1 ZINC000179512999 535062145 /nfs/dbraw/zinc/06/21/45/535062145.db2.gz YLUDOYNIVFCKGL-UHFFFAOYSA-N 0 3 235.375 3.084 20 0 BGADHN CCCN(CCC)Cc1cnn(C(C)C)c1 ZINC000179513428 384300906 /nfs/dbraw/zinc/30/09/06/384300906.db2.gz ILMHKVMXXVAEFH-UHFFFAOYSA-N 0 3 223.364 3.086 20 0 BGADHN CC(C)n1cc(CN([C@@H](C)C2CC2)C2CC2)cn1 ZINC000179513707 134321063 /nfs/dbraw/zinc/32/10/63/134321063.db2.gz DLTMKXVNTWEBHU-LBPRGKRZSA-N 0 3 247.386 3.227 20 0 BGADHN CC(C)n1cc(CN([C@H](C)C2CC2)C2CC2)cn1 ZINC000179513714 134321112 /nfs/dbraw/zinc/32/11/12/134321112.db2.gz DLTMKXVNTWEBHU-GFCCVEGCSA-N 0 3 247.386 3.227 20 0 BGADHN CCCCN(C)Cc1cnc(-c2ccccc2)[nH]1 ZINC000179514727 385472325 /nfs/dbraw/zinc/47/23/25/385472325.db2.gz JMYFUNGZZMHIBA-UHFFFAOYSA-N 0 3 243.354 3.309 20 0 BGADHN CCCCN(C)Cc1c[nH]c(-c2ccccc2)n1 ZINC000179514727 385472323 /nfs/dbraw/zinc/47/23/23/385472323.db2.gz JMYFUNGZZMHIBA-UHFFFAOYSA-N 0 3 243.354 3.309 20 0 BGADHN CC(C)CCN(CCC(C)C)Cc1c[nH]cn1 ZINC000179515472 384301945 /nfs/dbraw/zinc/30/19/45/384301945.db2.gz WIUBUCAXRPOPAW-UHFFFAOYSA-N 0 3 237.391 3.304 20 0 BGADHN CCC[C@@H]1CCCCN1Cc1cc(C)no1 ZINC000179519686 535409430 /nfs/dbraw/zinc/40/94/30/535409430.db2.gz RANMPUBMSRMCMA-GFCCVEGCSA-N 0 3 222.332 3.138 20 0 BGADHN CCC[C@H]1CCCCN1Cc1cc(C)no1 ZINC000179519699 134321406 /nfs/dbraw/zinc/32/14/06/134321406.db2.gz RANMPUBMSRMCMA-LBPRGKRZSA-N 0 3 222.332 3.138 20 0 BGADHN CCC[C@@H]1CCCCN1Cc1nccn1CC ZINC000179520715 535411427 /nfs/dbraw/zinc/41/14/27/535411427.db2.gz COHUXFQMEBFMRA-CYBMUJFWSA-N 0 3 235.375 3.058 20 0 BGADHN CCC[C@H]1CCCCN1Cc1nccn1CC ZINC000179520725 134321450 /nfs/dbraw/zinc/32/14/50/134321450.db2.gz COHUXFQMEBFMRA-ZDUSSCGKSA-N 0 3 235.375 3.058 20 0 BGADHN CCC[C@@H]1CCCCN1Cc1c(C)noc1C ZINC000179522474 346987897 /nfs/dbraw/zinc/98/78/97/346987897.db2.gz SPWHWSMLOTTZFS-CYBMUJFWSA-N 0 3 236.359 3.446 20 0 BGADHN CCC[C@H]1CCCCN1Cc1c(C)noc1C ZINC000179522486 134321294 /nfs/dbraw/zinc/32/12/94/134321294.db2.gz SPWHWSMLOTTZFS-ZDUSSCGKSA-N 0 3 236.359 3.446 20 0 BGADHN CCC[C@@H]1CCCCN1Cc1nc(C)c(C)o1 ZINC000179522500 535410436 /nfs/dbraw/zinc/41/04/36/535410436.db2.gz MRRWWBAJSXWALQ-CYBMUJFWSA-N 0 3 236.359 3.446 20 0 BGADHN CCC[C@H]1CCCCN1Cc1nc(C)c(C)o1 ZINC000179522511 134321316 /nfs/dbraw/zinc/32/13/16/134321316.db2.gz MRRWWBAJSXWALQ-ZDUSSCGKSA-N 0 3 236.359 3.446 20 0 BGADHN CCCCN(CC)Cc1cnn(C(C)C)c1 ZINC000179527548 384305511 /nfs/dbraw/zinc/30/55/11/384305511.db2.gz DPXWBBYEMPWGSS-UHFFFAOYSA-N 0 3 223.364 3.086 20 0 BGADHN COc1ccc([C@H](C)NCC=C(C)C)c(OC)c1 ZINC000179545244 385376314 /nfs/dbraw/zinc/37/63/14/385376314.db2.gz GKCSCBOIZDKUKP-LBPRGKRZSA-N 0 3 249.354 3.321 20 0 BGADHN COc1ccc([C@@H](C)NCC=C(C)C)c(OC)c1 ZINC000179545254 385376936 /nfs/dbraw/zinc/37/69/36/385376936.db2.gz GKCSCBOIZDKUKP-GFCCVEGCSA-N 0 3 249.354 3.321 20 0 BGADHN CC(C)OCCNC(C)(C)c1cccc(F)c1 ZINC000179565340 366272037 /nfs/dbraw/zinc/27/20/37/366272037.db2.gz FDOGMIHMXMOYJB-UHFFFAOYSA-N 0 3 239.334 3.075 20 0 BGADHN c1cc([C@@H]2CCCN2[C@H]2C=CCCC2)ccn1 ZINC000179569139 187308182 /nfs/dbraw/zinc/30/81/82/187308182.db2.gz BEFVUGDTTUVCLH-GJZGRUSLSA-N 0 3 228.339 3.327 20 0 BGADHN c1cc([C@H]2CCCN2[C@H]2C=CCCC2)ccn1 ZINC000179569149 385473563 /nfs/dbraw/zinc/47/35/63/385473563.db2.gz BEFVUGDTTUVCLH-LSDHHAIUSA-N 0 3 228.339 3.327 20 0 BGADHN CSCCNC(C)(C)c1cccc(F)c1 ZINC000179572775 385377206 /nfs/dbraw/zinc/37/72/06/385377206.db2.gz RXPXKBHOAOBWDC-UHFFFAOYSA-N 0 3 227.348 3.013 20 0 BGADHN c1csc(C2=CCN(C3CCC3)CC2)c1 ZINC000179577828 134321719 /nfs/dbraw/zinc/32/17/19/134321719.db2.gz UIBXBRQOWMTILX-UHFFFAOYSA-N 0 3 219.353 3.390 20 0 BGADHN Cc1cc2cc([C@@H](C)NC[C@H](C)O)oc2cc1C ZINC000179580701 178295768 /nfs/dbraw/zinc/29/57/68/178295768.db2.gz CINAHIHUZWPDCR-NWDGAFQWSA-N 0 3 247.338 3.081 20 0 BGADHN Cc1cc2cc([C@H](C)NC[C@H](C)O)oc2cc1C ZINC000179580720 178295353 /nfs/dbraw/zinc/29/53/53/178295353.db2.gz CINAHIHUZWPDCR-RYUDHWBXSA-N 0 3 247.338 3.081 20 0 BGADHN CC(C)(NC/C=C/Cl)c1cccc(F)c1 ZINC000179580737 642729494 /nfs/dbraw/zinc/72/94/94/642729494.db2.gz QALALPONBQNONR-QPJJXVBHSA-N 0 3 227.710 3.403 20 0 BGADHN CCSCCNC(C)(C)c1cccc(F)c1 ZINC000179581832 385377311 /nfs/dbraw/zinc/37/73/11/385377311.db2.gz SVLDVRSIBUNDRL-UHFFFAOYSA-N 0 3 241.375 3.404 20 0 BGADHN Cc1cc2cc([C@@H](C)NC[C@@H](C)O)oc2cc1C ZINC000179585221 178296100 /nfs/dbraw/zinc/29/61/00/178296100.db2.gz CINAHIHUZWPDCR-VXGBXAGGSA-N 0 3 247.338 3.081 20 0 BGADHN Cc1cc2cc([C@H](C)NC[C@@H](C)O)oc2cc1C ZINC000179585230 178295966 /nfs/dbraw/zinc/29/59/66/178295966.db2.gz CINAHIHUZWPDCR-NEPJUHHUSA-N 0 3 247.338 3.081 20 0 BGADHN CCN(Cc1cnn(C)c1)CC1CCCCCC1 ZINC000179588843 535387231 /nfs/dbraw/zinc/38/72/31/535387231.db2.gz JIHKJJXYXRJZRA-UHFFFAOYSA-N 0 3 249.402 3.212 20 0 BGADHN CCCC1CCC(N(C)Cc2cc[nH]n2)CC1 ZINC000179588861 534924973 /nfs/dbraw/zinc/92/49/73/534924973.db2.gz GMTBQAKMPRGVOI-UHFFFAOYSA-N 0 3 235.375 3.200 20 0 BGADHN COc1ccccc1CN(C)CC(C)(C)C ZINC000179589594 259304594 /nfs/dbraw/zinc/30/45/94/259304594.db2.gz XSBYMSKIFILEGV-UHFFFAOYSA-N 0 3 221.344 3.173 20 0 BGADHN C[C@@H]1CCCN1Cc1cnc(-c2ccccc2)[nH]1 ZINC000179593969 176108519 /nfs/dbraw/zinc/10/85/19/176108519.db2.gz HASVJUBMUQPYMU-GFCCVEGCSA-N 0 3 241.338 3.061 20 0 BGADHN C[C@@H]1CCCN1Cc1c[nH]c(-c2ccccc2)n1 ZINC000179593969 176108518 /nfs/dbraw/zinc/10/85/18/176108518.db2.gz HASVJUBMUQPYMU-GFCCVEGCSA-N 0 3 241.338 3.061 20 0 BGADHN C[C@H]1CCCN1Cc1cnc(-c2ccccc2)[nH]1 ZINC000179593980 177111060 /nfs/dbraw/zinc/11/10/60/177111060.db2.gz HASVJUBMUQPYMU-LBPRGKRZSA-N 0 3 241.338 3.061 20 0 BGADHN C[C@H]1CCCN1Cc1c[nH]c(-c2ccccc2)n1 ZINC000179593980 177111059 /nfs/dbraw/zinc/11/10/59/177111059.db2.gz HASVJUBMUQPYMU-LBPRGKRZSA-N 0 3 241.338 3.061 20 0 BGADHN CCOCCNC(C)(C)c1cccc(Cl)c1 ZINC000179599963 517703034 /nfs/dbraw/zinc/70/30/34/517703034.db2.gz RVLOWFLMYUPRRX-UHFFFAOYSA-N 0 3 241.762 3.201 20 0 BGADHN CC(C)n1cc(CN2CCC3(CCCC3)C2)cn1 ZINC000179601360 134323194 /nfs/dbraw/zinc/32/31/94/134323194.db2.gz JJLZYZOYJGTRTP-UHFFFAOYSA-N 0 3 247.386 3.230 20 0 BGADHN CC(C)C[C@@H]1CCN(Cc2cnn(C(C)C)c2)C1 ZINC000179605381 134322945 /nfs/dbraw/zinc/32/29/45/134322945.db2.gz LJUSJJDPBWRVFI-AWEZNQCLSA-N 0 3 249.402 3.332 20 0 BGADHN CC(C)C[C@H]1CCN(Cc2cnn(C(C)C)c2)C1 ZINC000179605451 134322878 /nfs/dbraw/zinc/32/28/78/134322878.db2.gz LJUSJJDPBWRVFI-CQSZACIVSA-N 0 3 249.402 3.332 20 0 BGADHN CC(C)n1cc(CN2CCC[C@H]3CCC[C@@H]32)cn1 ZINC000179612428 346991084 /nfs/dbraw/zinc/99/10/84/346991084.db2.gz CFIHROOKNPYSHW-CABCVRRESA-N 0 3 247.386 3.229 20 0 BGADHN CC(C)n1cc(CN2CCC[C@@H]3CCC[C@@H]32)cn1 ZINC000179612446 366276338 /nfs/dbraw/zinc/27/63/38/366276338.db2.gz CFIHROOKNPYSHW-GJZGRUSLSA-N 0 3 247.386 3.229 20 0 BGADHN CN(Cc1cn(C)nc1C(C)(C)C)C1CCCC1 ZINC000179630386 366277883 /nfs/dbraw/zinc/27/78/83/366277883.db2.gz YAIHMYBVHPXGNI-UHFFFAOYSA-N 0 3 249.402 3.092 20 0 BGADHN CC(C)n1cc(CN2CCC[C@@H](C)CC2)cn1 ZINC000179653250 346991968 /nfs/dbraw/zinc/99/19/68/346991968.db2.gz SXJWYPCILGXSEJ-CYBMUJFWSA-N 0 3 235.375 3.086 20 0 BGADHN CC(C)n1cc(CN2CCC[C@H](C)CC2)cn1 ZINC000179653260 346991983 /nfs/dbraw/zinc/99/19/83/346991983.db2.gz SXJWYPCILGXSEJ-ZDUSSCGKSA-N 0 3 235.375 3.086 20 0 BGADHN CSCCCNC1(c2ccccc2F)CC1 ZINC000179656455 642737877 /nfs/dbraw/zinc/73/78/77/642737877.db2.gz SJQRXWUUWLMCEY-UHFFFAOYSA-N 0 3 239.359 3.158 20 0 BGADHN CCSCCNC1(c2ccccc2F)CC1 ZINC000179661376 170635149 /nfs/dbraw/zinc/63/51/49/170635149.db2.gz YZACFWHUODLYCI-UHFFFAOYSA-N 0 3 239.359 3.158 20 0 BGADHN C[C@@H]1CSCCN1Cc1coc2ccccc12 ZINC000179662295 346992484 /nfs/dbraw/zinc/99/24/84/346992484.db2.gz LHMUQWLLMVEMKY-LLVKDONJSA-N 0 3 247.363 3.370 20 0 BGADHN C[C@H]1CSCCN1Cc1coc2ccccc12 ZINC000179662306 346992605 /nfs/dbraw/zinc/99/26/05/346992605.db2.gz LHMUQWLLMVEMKY-NSHDSACASA-N 0 3 247.363 3.370 20 0 BGADHN CC(C)(CN1CCSCC1)c1ccccc1 ZINC000179666040 538955765 /nfs/dbraw/zinc/95/57/65/538955765.db2.gz PUJQOWYSXDTZAR-UHFFFAOYSA-N 0 3 235.396 3.013 20 0 BGADHN C[C@@H]1CSCCN1Cc1cccc2[nH]ccc21 ZINC000179666066 176351182 /nfs/dbraw/zinc/35/11/82/176351182.db2.gz BDZANDCXTHSQHS-LLVKDONJSA-N 0 3 246.379 3.105 20 0 BGADHN C[C@H]1CSCCN1Cc1cccc2[nH]ccc21 ZINC000179666081 177305602 /nfs/dbraw/zinc/30/56/02/177305602.db2.gz BDZANDCXTHSQHS-NSHDSACASA-N 0 3 246.379 3.105 20 0 BGADHN CCCN(C)Cc1c(C2CC2)nc2sccn12 ZINC000179669773 169081628 /nfs/dbraw/zinc/08/16/28/169081628.db2.gz BYTZODKWETXASX-UHFFFAOYSA-N 0 3 249.383 3.115 20 0 BGADHN CCC[N@@H+](C)Cc1cc(Cl)cc(C)c1[O-] ZINC000179669869 642735987 /nfs/dbraw/zinc/73/59/87/642735987.db2.gz AKLBDJSMUKULQT-UHFFFAOYSA-N 0 3 227.735 3.196 20 0 BGADHN CCC[N@H+](C)Cc1cc(Cl)cc(C)c1[O-] ZINC000179669869 642735981 /nfs/dbraw/zinc/73/59/81/642735981.db2.gz AKLBDJSMUKULQT-UHFFFAOYSA-N 0 3 227.735 3.196 20 0 BGADHN CN(C[C@@H]1CCCO1)CC(C)(C)c1ccccc1 ZINC000179670960 538955798 /nfs/dbraw/zinc/95/57/98/538955798.db2.gz KVGOVHRKQMBLMB-HNNXBMFYSA-N 0 3 247.382 3.075 20 0 BGADHN CN(C[C@H]1CCCO1)CC(C)(C)c1ccccc1 ZINC000179670975 538955632 /nfs/dbraw/zinc/95/56/32/538955632.db2.gz KVGOVHRKQMBLMB-OAHLLOKOSA-N 0 3 247.382 3.075 20 0 BGADHN CSCCNC1(c2cccc(Cl)c2)CC1 ZINC000179672182 385379775 /nfs/dbraw/zinc/37/97/75/385379775.db2.gz WORBREGBTAIADF-UHFFFAOYSA-N 0 3 241.787 3.282 20 0 BGADHN FCCCNC1(c2cccc(Cl)c2)CC1 ZINC000179677248 385379807 /nfs/dbraw/zinc/37/98/07/385379807.db2.gz HGMCHYOCJHDYKY-UHFFFAOYSA-N 0 3 227.710 3.278 20 0 BGADHN CCCN(Cc1cn(C)nc1C(C)(C)C)C1CC1 ZINC000179683864 366285682 /nfs/dbraw/zinc/28/56/82/366285682.db2.gz FJBGQFOTTKMGBV-UHFFFAOYSA-N 0 3 249.402 3.092 20 0 BGADHN Cc1nc(CN2CC[C@H](C)[C@H](C)C2)sc1C ZINC000179687473 385378697 /nfs/dbraw/zinc/37/86/97/385378697.db2.gz FQAZVPWRGASHPX-VHSXEESVSA-N 0 3 238.400 3.238 20 0 BGADHN Cc1nc(CN2CC[C@@H](C)[C@H](C)C2)sc1C ZINC000179687489 385379134 /nfs/dbraw/zinc/37/91/34/385379134.db2.gz FQAZVPWRGASHPX-NXEZZACHSA-N 0 3 238.400 3.238 20 0 BGADHN CC[C@@H](C)N(Cc1cnc[nH]1)Cc1ccccc1 ZINC000179695235 385484033 /nfs/dbraw/zinc/48/40/33/385484033.db2.gz QFPHKHWPAHGRJB-CYBMUJFWSA-N 0 3 243.354 3.210 20 0 BGADHN CC[C@H](C)N(Cc1cnc[nH]1)Cc1ccccc1 ZINC000179695249 171316585 /nfs/dbraw/zinc/31/65/85/171316585.db2.gz QFPHKHWPAHGRJB-ZDUSSCGKSA-N 0 3 243.354 3.210 20 0 BGADHN CC(C)[C@@H]1CCCCN1Cc1cnn(C(C)C)c1 ZINC000179696654 134323790 /nfs/dbraw/zinc/32/37/90/134323790.db2.gz AWXNYOUYABYLHL-HNNXBMFYSA-N 0 3 249.402 3.475 20 0 BGADHN CC(C)[C@H]1CCCCN1Cc1cnn(C(C)C)c1 ZINC000179696669 535175553 /nfs/dbraw/zinc/17/55/53/535175553.db2.gz AWXNYOUYABYLHL-OAHLLOKOSA-N 0 3 249.402 3.475 20 0 BGADHN CSCCCNC1(c2cccc(F)c2)CC1 ZINC000179697629 385381200 /nfs/dbraw/zinc/38/12/00/385381200.db2.gz QDHGSOHHNRDRAE-UHFFFAOYSA-N 0 3 239.359 3.158 20 0 BGADHN C[C@@H](c1ccccc1)N(C)CC1=CCCOC1 ZINC000179702007 176019867 /nfs/dbraw/zinc/01/98/67/176019867.db2.gz YGJYGRWFNFMVMC-ZDUSSCGKSA-N 0 3 231.339 3.026 20 0 BGADHN C[C@H](c1ccccc1)N(C)CC1=CCCOC1 ZINC000179702016 177037435 /nfs/dbraw/zinc/03/74/35/177037435.db2.gz YGJYGRWFNFMVMC-CYBMUJFWSA-N 0 3 231.339 3.026 20 0 BGADHN CC(C)CN(Cc1cncs1)C(C)C ZINC000179702674 535061429 /nfs/dbraw/zinc/06/14/29/535061429.db2.gz YYRSUFBHHMIRJL-UHFFFAOYSA-N 0 3 212.362 3.010 20 0 BGADHN CC(C)=CCNC1(c2cccc(F)c2)CC1 ZINC000179703239 385380497 /nfs/dbraw/zinc/38/04/97/385380497.db2.gz MQGWTSNJPMLARV-UHFFFAOYSA-N 0 3 219.303 3.371 20 0 BGADHN CCSCCNC1(c2cccc(F)c2)CC1 ZINC000179704296 385381559 /nfs/dbraw/zinc/38/15/59/385381559.db2.gz MZVRUEAPLZUXBZ-UHFFFAOYSA-N 0 3 239.359 3.158 20 0 BGADHN Cn1cccc1[C@@H]1CCCN1Cc1ccsc1 ZINC000179709598 385486052 /nfs/dbraw/zinc/48/60/52/385486052.db2.gz FTZGEIMGLHGPBL-AWEZNQCLSA-N 0 3 246.379 3.424 20 0 BGADHN Cn1cccc1[C@H]1CCCN1Cc1ccsc1 ZINC000179709613 385486393 /nfs/dbraw/zinc/48/63/93/385486393.db2.gz FTZGEIMGLHGPBL-CQSZACIVSA-N 0 3 246.379 3.424 20 0 BGADHN CC(C)n1cc(CN(C)CC2CCCC2)cn1 ZINC000179715919 346994254 /nfs/dbraw/zinc/99/42/54/346994254.db2.gz VTRYUCRSLOTTIK-UHFFFAOYSA-N 0 3 235.375 3.086 20 0 BGADHN CCCn1cc(CN(C)C2CCC(C)CC2)cn1 ZINC000179718418 384331229 /nfs/dbraw/zinc/33/12/29/384331229.db2.gz ASAJJNVGPYKKRE-UHFFFAOYSA-N 0 3 249.402 3.304 20 0 BGADHN CC(C)n1cc(CN(C)C2CCC(C)CC2)cn1 ZINC000179718526 384331038 /nfs/dbraw/zinc/33/10/38/384331038.db2.gz UNEVAYLPOHMXQW-UHFFFAOYSA-N 0 3 249.402 3.475 20 0 BGADHN CC[C@]1(C)CCCN(Cc2cnn(C(C)C)c2)C1 ZINC000179730634 134319971 /nfs/dbraw/zinc/31/99/71/134319971.db2.gz ACWHURGKNPKKND-OAHLLOKOSA-N 0 3 249.402 3.476 20 0 BGADHN CC[C@@]1(C)CCCN(Cc2cnn(C(C)C)c2)C1 ZINC000179730651 536038256 /nfs/dbraw/zinc/03/82/56/536038256.db2.gz ACWHURGKNPKKND-HNNXBMFYSA-N 0 3 249.402 3.476 20 0 BGADHN CN(Cc1cnc(-c2ccccc2)[nH]1)C1CCC1 ZINC000179738904 385488510 /nfs/dbraw/zinc/48/85/10/385488510.db2.gz IXTATZPDIVNSEC-UHFFFAOYSA-N 0 3 241.338 3.061 20 0 BGADHN CN(Cc1c[nH]c(-c2ccccc2)n1)C1CCC1 ZINC000179738904 385488506 /nfs/dbraw/zinc/48/85/06/385488506.db2.gz IXTATZPDIVNSEC-UHFFFAOYSA-N 0 3 241.338 3.061 20 0 BGADHN CCC[C@@H](C)CN(CCOC)Cc1ccco1 ZINC000179739885 366286601 /nfs/dbraw/zinc/28/66/01/366286601.db2.gz ZIKHTAWKWAVCRI-CYBMUJFWSA-N 0 3 239.359 3.164 20 0 BGADHN CCC[C@H](C)CN(CCOC)Cc1ccco1 ZINC000179739899 366296577 /nfs/dbraw/zinc/29/65/77/366296577.db2.gz ZIKHTAWKWAVCRI-ZDUSSCGKSA-N 0 3 239.359 3.164 20 0 BGADHN CCOc1ccccc1[C@H](CC)NCCCF ZINC000179751136 385487275 /nfs/dbraw/zinc/48/72/75/385487275.db2.gz XNGQQBKXBFEJPT-ZDUSSCGKSA-N 0 3 239.334 3.486 20 0 BGADHN CCOc1ccccc1[C@@H](CC)NCCCF ZINC000179751151 385487660 /nfs/dbraw/zinc/48/76/60/385487660.db2.gz XNGQQBKXBFEJPT-CYBMUJFWSA-N 0 3 239.334 3.486 20 0 BGADHN CCC[C@H](C)CN(C)Cc1c(C)noc1C ZINC000179754895 633870858 /nfs/dbraw/zinc/87/08/58/633870858.db2.gz VHTRXBFVTUCFFC-JTQLQIEISA-N 0 3 224.348 3.159 20 0 BGADHN CC(C)=CCN[C@@H](CCCO)c1ccccc1 ZINC000179759079 187308037 /nfs/dbraw/zinc/30/80/37/187308037.db2.gz IUCHHNBSSNTEBA-HNNXBMFYSA-N 0 3 233.355 3.056 20 0 BGADHN CC(C)=CCN[C@H](CCCO)c1ccccc1 ZINC000179759090 385489741 /nfs/dbraw/zinc/48/97/41/385489741.db2.gz IUCHHNBSSNTEBA-OAHLLOKOSA-N 0 3 233.355 3.056 20 0 BGADHN CC(C)n1cc(CN2C[C@H](C)CC[C@@H]2C)cn1 ZINC000179761290 134323593 /nfs/dbraw/zinc/32/35/93/134323593.db2.gz PWXKLCLSLSEOIL-OLZOCXBDSA-N 0 3 235.375 3.084 20 0 BGADHN CC(C)n1cc(CN2C[C@@H](C)CC[C@@H]2C)cn1 ZINC000179761304 346996139 /nfs/dbraw/zinc/99/61/39/346996139.db2.gz PWXKLCLSLSEOIL-STQMWFEESA-N 0 3 235.375 3.084 20 0 BGADHN CC(C)n1cc(CN2C[C@H](C)CC[C@H]2C)cn1 ZINC000179761322 134911712 /nfs/dbraw/zinc/91/17/12/134911712.db2.gz PWXKLCLSLSEOIL-CHWSQXEVSA-N 0 3 235.375 3.084 20 0 BGADHN CC(C)n1cc(CN2C[C@@H](C)CC[C@H]2C)cn1 ZINC000179761335 134323759 /nfs/dbraw/zinc/32/37/59/134323759.db2.gz PWXKLCLSLSEOIL-QWHCGFSZSA-N 0 3 235.375 3.084 20 0 BGADHN CC(C)(CN1CCOC(C)(C)C1)c1ccccc1 ZINC000179762172 538956029 /nfs/dbraw/zinc/95/60/29/538956029.db2.gz XEQMMMYTXVSHRC-UHFFFAOYSA-N 0 3 247.382 3.075 20 0 BGADHN CC(C)(C)C1CCN(Cc2cncs2)CC1 ZINC000179766414 346996125 /nfs/dbraw/zinc/99/61/25/346996125.db2.gz USNPSYVSBLSRPI-UHFFFAOYSA-N 0 3 238.400 3.401 20 0 BGADHN CCn1cc(CN2CCC(C(C)(C)C)CC2)cn1 ZINC000179766468 536051631 /nfs/dbraw/zinc/05/16/31/536051631.db2.gz GILFULCGMCQJMN-UHFFFAOYSA-N 0 3 249.402 3.161 20 0 BGADHN CCn1nccc1CN1CCC(C(C)(C)C)CC1 ZINC000179766724 535867876 /nfs/dbraw/zinc/86/78/76/535867876.db2.gz NDTAFPXEIGZAQY-UHFFFAOYSA-N 0 3 249.402 3.161 20 0 BGADHN CC[C@@H]1CCCN(Cc2cnn(C(C)C)c2)C1 ZINC000179771148 346995724 /nfs/dbraw/zinc/99/57/24/346995724.db2.gz LJPLVVZWMJISMC-CYBMUJFWSA-N 0 3 235.375 3.086 20 0 BGADHN CC[C@H]1CCCN(Cc2cnn(C(C)C)c2)C1 ZINC000179771157 134323247 /nfs/dbraw/zinc/32/32/47/134323247.db2.gz LJPLVVZWMJISMC-ZDUSSCGKSA-N 0 3 235.375 3.086 20 0 BGADHN C[C@H](Nc1cccc(CN(C)C)c1)C1CCC1 ZINC000179777055 385381290 /nfs/dbraw/zinc/38/12/90/385381290.db2.gz FZGKJNTUEBSURP-LBPRGKRZSA-N 0 3 232.371 3.349 20 0 BGADHN C[C@@H](Nc1cccc(CN(C)C)c1)C1CCC1 ZINC000179777067 385381769 /nfs/dbraw/zinc/38/17/69/385381769.db2.gz FZGKJNTUEBSURP-GFCCVEGCSA-N 0 3 232.371 3.349 20 0 BGADHN CCC[C@@H](C)CN(C)Cc1cnc(C)s1 ZINC000179790532 169357876 /nfs/dbraw/zinc/35/78/76/169357876.db2.gz CSCGCOGHSZUYJS-SNVBAGLBSA-N 0 3 226.389 3.320 20 0 BGADHN CCC[C@H](C)CN(C)Cc1cnc(C)s1 ZINC000179790546 385492143 /nfs/dbraw/zinc/49/21/43/385492143.db2.gz CSCGCOGHSZUYJS-JTQLQIEISA-N 0 3 226.389 3.320 20 0 BGADHN Cc1cc(Cl)cc(C[N@@H+](C)CC2CC2)c1[O-] ZINC000179793338 642745725 /nfs/dbraw/zinc/74/57/25/642745725.db2.gz SKWHPALRBPBXBM-UHFFFAOYSA-N 0 3 239.746 3.196 20 0 BGADHN Cc1cc(Cl)cc(C[N@H+](C)CC2CC2)c1[O-] ZINC000179793338 642745720 /nfs/dbraw/zinc/74/57/20/642745720.db2.gz SKWHPALRBPBXBM-UHFFFAOYSA-N 0 3 239.746 3.196 20 0 BGADHN CN(Cc1cc(F)cc(F)c1)C1CCCC1 ZINC000179796483 384355694 /nfs/dbraw/zinc/35/56/94/384355694.db2.gz LVQMFWQENAZQMQ-UHFFFAOYSA-N 0 3 225.282 3.339 20 0 BGADHN CCCn1nc(C)c(CN(C)C2CCCC2)c1C ZINC000179796583 384355380 /nfs/dbraw/zinc/35/53/80/384355380.db2.gz RFUJRQXQLMANKE-UHFFFAOYSA-N 0 3 249.402 3.284 20 0 BGADHN Cc1ccn2c(CN(C)C3CCCC3)cnc2c1 ZINC000179797612 384357449 /nfs/dbraw/zinc/35/74/49/384357449.db2.gz ZVCKHEXVCAVYAJ-UHFFFAOYSA-N 0 3 243.354 3.017 20 0 BGADHN CCc1ccc(CN(C)C2CCCC2)o1 ZINC000179797738 384359141 /nfs/dbraw/zinc/35/91/41/384359141.db2.gz VXNCRQHQXXNHLA-UHFFFAOYSA-N 0 3 207.317 3.216 20 0 BGADHN CN(Cc1cc(F)c(F)c(F)c1)C1CCCC1 ZINC000179798168 384359659 /nfs/dbraw/zinc/35/96/59/384359659.db2.gz UEZUMHWOEJXIHZ-UHFFFAOYSA-N 0 3 243.272 3.478 20 0 BGADHN Cc1cccn2c(CN(C)C3CCCC3)cnc12 ZINC000179798343 384357758 /nfs/dbraw/zinc/35/77/58/384357758.db2.gz PIVVVTGCBDRHSI-UHFFFAOYSA-N 0 3 243.354 3.017 20 0 BGADHN CN(Cc1c[nH]nc1C(C)(C)C)C1CCCC1 ZINC000179798543 384359604 /nfs/dbraw/zinc/35/96/04/384359604.db2.gz HUHMLVYYIJDETL-UHFFFAOYSA-N 0 3 235.375 3.082 20 0 BGADHN CC(C)n1cc(CN2CCC[C@@H](C)[C@H]2C)cn1 ZINC000179799058 134323343 /nfs/dbraw/zinc/32/33/43/134323343.db2.gz GZQHHTOLTCFNSW-CHWSQXEVSA-N 0 3 235.375 3.084 20 0 BGADHN CC(C)n1cc(CN2CCC[C@H](C)[C@H]2C)cn1 ZINC000179799071 134323880 /nfs/dbraw/zinc/32/38/80/134323880.db2.gz GZQHHTOLTCFNSW-QWHCGFSZSA-N 0 3 235.375 3.084 20 0 BGADHN CN(Cc1cc(F)c(F)cc1F)C1CCCC1 ZINC000179799312 384359629 /nfs/dbraw/zinc/35/96/29/384359629.db2.gz GZDSKAJDICDHJX-UHFFFAOYSA-N 0 3 243.272 3.478 20 0 BGADHN CN(Cc1cnn(C(C)(C)C)c1)C1CCCC1 ZINC000179799508 384358682 /nfs/dbraw/zinc/35/86/82/384358682.db2.gz QBRBNTSVVVVUAP-UHFFFAOYSA-N 0 3 235.375 3.013 20 0 BGADHN Cc1ccc2ncc(CN(C)C3CCCC3)n2c1 ZINC000179799712 385492348 /nfs/dbraw/zinc/49/23/48/385492348.db2.gz AJVVWDXOBNYJHJ-UHFFFAOYSA-N 0 3 243.354 3.017 20 0 BGADHN C[C@@H](c1ccc(F)cc1)N(C)CC1=CCCOC1 ZINC000179802611 176015063 /nfs/dbraw/zinc/01/50/63/176015063.db2.gz FOFNSMOHTSLDJD-LBPRGKRZSA-N 0 3 249.329 3.165 20 0 BGADHN C[C@H](c1ccc(F)cc1)N(C)CC1=CCCOC1 ZINC000179802625 177033799 /nfs/dbraw/zinc/03/37/99/177033799.db2.gz FOFNSMOHTSLDJD-GFCCVEGCSA-N 0 3 249.329 3.165 20 0 BGADHN CC1(C)CCCN1Cc1cc(F)cc(F)c1 ZINC000179817461 134324535 /nfs/dbraw/zinc/32/45/35/134324535.db2.gz WPOKGPQNPRZHDZ-UHFFFAOYSA-N 0 3 225.282 3.339 20 0 BGADHN COc1cc(CN2CCCC2(C)C)cc(OC)c1 ZINC000179817956 134324632 /nfs/dbraw/zinc/32/46/32/134324632.db2.gz XIHPCYRKOYHTNJ-UHFFFAOYSA-N 0 3 249.354 3.078 20 0 BGADHN Cc1cccn2c(CN3CCCC3(C)C)cnc12 ZINC000179818088 134324227 /nfs/dbraw/zinc/32/42/27/134324227.db2.gz UVQSKAVGUQNOKC-UHFFFAOYSA-N 0 3 243.354 3.017 20 0 BGADHN Cc1ccc2ncc(CN3CCCC3(C)C)n2c1 ZINC000179818454 134324588 /nfs/dbraw/zinc/32/45/88/134324588.db2.gz CMYVXSCVSBYEHV-UHFFFAOYSA-N 0 3 243.354 3.017 20 0 BGADHN CC(C)n1cc(CN2CCCC(C)(C)C2)cn1 ZINC000179850844 134324484 /nfs/dbraw/zinc/32/44/84/134324484.db2.gz ZCYJGFFCTIQVMB-UHFFFAOYSA-N 0 3 235.375 3.086 20 0 BGADHN CC(C)N(Cc1cnn(C(C)C)c1)C1CCC1 ZINC000179860727 347000101 /nfs/dbraw/zinc/00/01/01/347000101.db2.gz SZZONVLROAVPFB-UHFFFAOYSA-N 0 3 235.375 3.227 20 0 BGADHN CCC(CC)CN(C)Cc1cnc(C)s1 ZINC000179884334 168347356 /nfs/dbraw/zinc/34/73/56/168347356.db2.gz YPFTYYQMNIWBMQ-UHFFFAOYSA-N 0 3 226.389 3.320 20 0 BGADHN CCC(CC)CN(C)Cc1scnc1C ZINC000179884759 168347625 /nfs/dbraw/zinc/34/76/25/168347625.db2.gz KULBNADWTOGDIZ-UHFFFAOYSA-N 0 3 226.389 3.320 20 0 BGADHN CN(Cc1cccn1C)[C@@H]1CCc2ccccc21 ZINC000179909141 385500011 /nfs/dbraw/zinc/50/00/11/385500011.db2.gz UWQIWMZEPYDAMW-MRXNPFEDSA-N 0 3 240.350 3.144 20 0 BGADHN CN(Cc1cccn1C)[C@H]1CCc2ccccc21 ZINC000179909156 385500165 /nfs/dbraw/zinc/50/01/65/385500165.db2.gz UWQIWMZEPYDAMW-INIZCTEOSA-N 0 3 240.350 3.144 20 0 BGADHN CCN(C)Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000179912434 259305909 /nfs/dbraw/zinc/30/59/09/259305909.db2.gz MAMULFUAUOEGDP-UHFFFAOYSA-N 0 3 249.354 3.094 20 0 BGADHN CC(C)n1cc(CN2CCCC(C)(C)CC2)cn1 ZINC000179916285 134325385 /nfs/dbraw/zinc/32/53/85/134325385.db2.gz DSJAQNWITMSDGK-UHFFFAOYSA-N 0 3 249.402 3.476 20 0 BGADHN Cc1ccc(F)cc1CN(C)[C@@H]1CCSC1 ZINC000179927984 385500875 /nfs/dbraw/zinc/50/08/75/385500875.db2.gz KYBRIVOHEOAHNZ-CYBMUJFWSA-N 0 3 239.359 3.071 20 0 BGADHN Cc1ccc(F)cc1CN(C)[C@H]1CCSC1 ZINC000179928007 385500860 /nfs/dbraw/zinc/50/08/60/385500860.db2.gz KYBRIVOHEOAHNZ-ZDUSSCGKSA-N 0 3 239.359 3.071 20 0 BGADHN CCN(Cc1cc(F)ccc1C)C1CC1 ZINC000179931298 134325461 /nfs/dbraw/zinc/32/54/61/134325461.db2.gz LUJXMBKWDMOLKZ-UHFFFAOYSA-N 0 3 207.292 3.118 20 0 BGADHN CN(Cc1cncs1)CC1CCCCC1 ZINC000179936464 410910070 /nfs/dbraw/zinc/91/00/70/410910070.db2.gz JNOZFHKBXUYDAU-UHFFFAOYSA-N 0 3 224.373 3.155 20 0 BGADHN CCCn1cc(CN(C)CC2CCCCC2)cn1 ZINC000179936719 259305916 /nfs/dbraw/zinc/30/59/16/259305916.db2.gz XDZDSLMAJDJWTP-UHFFFAOYSA-N 0 3 249.402 3.305 20 0 BGADHN CC(C)n1cc(CN(C)CC2CCCCC2)cn1 ZINC000179936869 259306017 /nfs/dbraw/zinc/30/60/17/259306017.db2.gz ZUJSYRSNISPBBY-UHFFFAOYSA-N 0 3 249.402 3.476 20 0 BGADHN CCC[C@@H](C)CN1CCCC[C@@H]1c1ncc[nH]1 ZINC000179937923 347004130 /nfs/dbraw/zinc/00/41/30/347004130.db2.gz WCYCCWRQCRZBBR-CHWSQXEVSA-N 0 3 235.375 3.373 20 0 BGADHN CCC[C@H](C)CN1CCCC[C@@H]1c1ncc[nH]1 ZINC000179937936 535608799 /nfs/dbraw/zinc/60/87/99/535608799.db2.gz WCYCCWRQCRZBBR-QWHCGFSZSA-N 0 3 235.375 3.373 20 0 BGADHN CC(C)C1CCN(Cc2cnn(C(C)C)c2)CC1 ZINC000179940171 366338256 /nfs/dbraw/zinc/33/82/56/366338256.db2.gz KNWJDQYAGGYKGZ-UHFFFAOYSA-N 0 3 249.402 3.332 20 0 BGADHN c1ccc2c(c1)[nH]c1c2CN(C2CCCC2)CC1 ZINC000179941875 410909968 /nfs/dbraw/zinc/90/99/68/410909968.db2.gz NBUVIWQWXNUILR-UHFFFAOYSA-N 0 3 240.350 3.469 20 0 BGADHN Cc1ccc(F)cc1CN1C[C@H]2CC[C@@H]1C2 ZINC000179946348 134325422 /nfs/dbraw/zinc/32/54/22/134325422.db2.gz BENJNNSZIOWCDZ-SMDDNHRTSA-N 0 3 219.303 3.118 20 0 BGADHN C/C(=C\c1ccccc1)CN1CCSCC1 ZINC000179948073 259305863 /nfs/dbraw/zinc/30/58/63/259305863.db2.gz GVCHRCVHRUEUKV-ACCUITESSA-N 0 3 233.380 3.139 20 0 BGADHN CCN(Cc1cnc(-c2ccccc2)[nH]1)C(C)C ZINC000179952568 347004714 /nfs/dbraw/zinc/00/47/14/347004714.db2.gz JLHYKYJJYTVBLF-UHFFFAOYSA-N 0 3 243.354 3.307 20 0 BGADHN CCN(Cc1c[nH]c(-c2ccccc2)n1)C(C)C ZINC000179952568 347004711 /nfs/dbraw/zinc/00/47/11/347004711.db2.gz JLHYKYJJYTVBLF-UHFFFAOYSA-N 0 3 243.354 3.307 20 0 BGADHN COc1ccc(F)cc1[C@H](C)NCC=C(C)C ZINC000179956484 366339113 /nfs/dbraw/zinc/33/91/13/366339113.db2.gz MNHSRKHPPCQVQV-NSHDSACASA-N 0 3 237.318 3.451 20 0 BGADHN COc1ccc(F)cc1[C@@H](C)NCC=C(C)C ZINC000179956502 366338952 /nfs/dbraw/zinc/33/89/52/366338952.db2.gz MNHSRKHPPCQVQV-LLVKDONJSA-N 0 3 237.318 3.451 20 0 BGADHN CCC[C@@H]1CCCN(Cc2cnn(C(C)C)c2)C1 ZINC000179967933 134325588 /nfs/dbraw/zinc/32/55/88/134325588.db2.gz RTGMIPMKAYRYRH-CQSZACIVSA-N 0 3 249.402 3.476 20 0 BGADHN CCC[C@H]1CCCN(Cc2cnn(C(C)C)c2)C1 ZINC000179967951 347005816 /nfs/dbraw/zinc/00/58/16/347005816.db2.gz RTGMIPMKAYRYRH-AWEZNQCLSA-N 0 3 249.402 3.476 20 0 BGADHN CC(C)CN(C)Cc1cc(F)c(F)c(F)c1 ZINC000179973242 384414524 /nfs/dbraw/zinc/41/45/24/384414524.db2.gz KYDASAOWXBSQIH-UHFFFAOYSA-N 0 3 231.261 3.192 20 0 BGADHN Cc1n[nH]cc1[C@@H](C)N[C@@H](C)c1ccccc1 ZINC000179975291 538956432 /nfs/dbraw/zinc/95/64/32/538956432.db2.gz RIZZHOZQICPCON-WDEREUQCSA-N 0 3 229.327 3.130 20 0 BGADHN Cc1n[nH]cc1[C@H](C)N[C@@H](C)c1ccccc1 ZINC000179975300 538957019 /nfs/dbraw/zinc/95/70/19/538957019.db2.gz RIZZHOZQICPCON-QWRGUYRKSA-N 0 3 229.327 3.130 20 0 BGADHN Cc1n[nH]cc1[C@@H](C)N[C@H](C)c1ccccc1 ZINC000179975312 538957014 /nfs/dbraw/zinc/95/70/14/538957014.db2.gz RIZZHOZQICPCON-GHMZBOCLSA-N 0 3 229.327 3.130 20 0 BGADHN Cc1n[nH]cc1[C@H](C)N[C@H](C)c1ccccc1 ZINC000179975322 538957031 /nfs/dbraw/zinc/95/70/31/538957031.db2.gz RIZZHOZQICPCON-MNOVXSKESA-N 0 3 229.327 3.130 20 0 BGADHN Cc1n[nH]cc1[C@H](C)N[C@H](C)c1ccccc1C ZINC000179976926 385263394 /nfs/dbraw/zinc/26/33/94/385263394.db2.gz IMOJYSHAXYMWIL-NEPJUHHUSA-N 0 3 243.354 3.438 20 0 BGADHN Cc1n[nH]cc1[C@@H](C)N[C@H](C)c1ccccc1C ZINC000179976956 385263222 /nfs/dbraw/zinc/26/32/22/385263222.db2.gz IMOJYSHAXYMWIL-VXGBXAGGSA-N 0 3 243.354 3.438 20 0 BGADHN CCCNC1(c2ccc(F)cc2F)CCC1 ZINC000179988651 385383233 /nfs/dbraw/zinc/38/32/33/385383233.db2.gz JMJSALSGATWJCS-UHFFFAOYSA-N 0 3 225.282 3.344 20 0 BGADHN FCCCNC1(c2ccc(F)cc2F)CCC1 ZINC000179992610 366348372 /nfs/dbraw/zinc/34/83/72/366348372.db2.gz LBMAADYQKIQKCQ-UHFFFAOYSA-N 0 3 243.272 3.293 20 0 BGADHN CCC[C@@H]1[C@H](C)CCCN1Cc1ccnn1CC ZINC000179999708 535509581 /nfs/dbraw/zinc/50/95/81/535509581.db2.gz LGJKMBVYBSQZRV-UKRRQHHQSA-N 0 3 249.402 3.304 20 0 BGADHN CCC[C@H]1[C@H](C)CCCN1Cc1ccnn1CC ZINC000179999724 134325325 /nfs/dbraw/zinc/32/53/25/134325325.db2.gz LGJKMBVYBSQZRV-HIFRSBDPSA-N 0 3 249.402 3.304 20 0 BGADHN CCC[C@@H]1[C@@H](C)CCCN1Cc1ccnn1CC ZINC000179999740 535507215 /nfs/dbraw/zinc/50/72/15/535507215.db2.gz LGJKMBVYBSQZRV-DZGCQCFKSA-N 0 3 249.402 3.304 20 0 BGADHN CCC[C@H]1[C@@H](C)CCCN1Cc1ccnn1CC ZINC000179999758 134325319 /nfs/dbraw/zinc/32/53/19/134325319.db2.gz LGJKMBVYBSQZRV-ZFWWWQNUSA-N 0 3 249.402 3.304 20 0 BGADHN CC(C)CCN(Cc1cncs1)C1CC1 ZINC000180022767 541354719 /nfs/dbraw/zinc/35/47/19/541354719.db2.gz WWFINOMQSMKQFM-UHFFFAOYSA-N 0 3 224.373 3.154 20 0 BGADHN CCCn1cc(CN(CCC(C)C)C2CC2)cn1 ZINC000180023059 538110976 /nfs/dbraw/zinc/11/09/76/538110976.db2.gz AJZGBSHAKKAGLH-UHFFFAOYSA-N 0 3 249.402 3.304 20 0 BGADHN CC(C)CCN(Cc1cnn(C(C)C)c1)C1CC1 ZINC000180023193 541507172 /nfs/dbraw/zinc/50/71/72/541507172.db2.gz NNKUOIKRDRDZHI-UHFFFAOYSA-N 0 3 249.402 3.475 20 0 BGADHN CC1CCC(N(Cc2cncnc2)C2CC2)CC1 ZINC000180033929 541505893 /nfs/dbraw/zinc/50/58/93/541505893.db2.gz VJVRWZFNSOEEGS-UHFFFAOYSA-N 0 3 245.370 3.020 20 0 BGADHN Cc1n[nH]cc1CN(C1CC1)C1CCC(C)CC1 ZINC000180034417 384431678 /nfs/dbraw/zinc/43/16/78/384431678.db2.gz CRWHEZFAEPWEPQ-UHFFFAOYSA-N 0 3 247.386 3.261 20 0 BGADHN CC(C)n1cc(CN(C2CC2)C2CCCC2)cn1 ZINC000180034705 366360293 /nfs/dbraw/zinc/36/02/93/366360293.db2.gz OTPSHFJHAVKJHT-UHFFFAOYSA-N 0 3 247.386 3.371 20 0 BGADHN CCC1CCC(N(Cc2cnc[nH]2)C2CC2)CC1 ZINC000180035008 134325772 /nfs/dbraw/zinc/32/57/72/134325772.db2.gz GWMHRLJEGBLRHF-UHFFFAOYSA-N 0 3 247.386 3.343 20 0 BGADHN CCC1CCC(N(Cc2c[nH]cn2)C2CC2)CC1 ZINC000180035008 134325771 /nfs/dbraw/zinc/32/57/71/134325771.db2.gz GWMHRLJEGBLRHF-UHFFFAOYSA-N 0 3 247.386 3.343 20 0 BGADHN CCC1CCC(N(Cc2cc[nH]n2)C2CC2)CC1 ZINC000180035123 134325755 /nfs/dbraw/zinc/32/57/55/134325755.db2.gz VIWCPSSIUUDAJI-UHFFFAOYSA-N 0 3 247.386 3.343 20 0 BGADHN CCC[C@@H](C)CN(C)Cc1scnc1C ZINC000180038617 169357642 /nfs/dbraw/zinc/35/76/42/169357642.db2.gz AYKUHUJVRQEGQZ-SNVBAGLBSA-N 0 3 226.389 3.320 20 0 BGADHN CCC[C@H](C)CN(C)Cc1scnc1C ZINC000180038631 385503850 /nfs/dbraw/zinc/50/38/50/385503850.db2.gz AYKUHUJVRQEGQZ-JTQLQIEISA-N 0 3 226.389 3.320 20 0 BGADHN CCCn1cc(CN(C)[C@@H]2CCC[C@H](C)C2)cn1 ZINC000180044473 384430898 /nfs/dbraw/zinc/43/08/98/384430898.db2.gz UGUNZPMUAWOJMQ-DZGCQCFKSA-N 0 3 249.402 3.304 20 0 BGADHN CCCn1cc(CN(C)[C@H]2CCC[C@H](C)C2)cn1 ZINC000180044492 384432337 /nfs/dbraw/zinc/43/23/37/384432337.db2.gz UGUNZPMUAWOJMQ-ZFWWWQNUSA-N 0 3 249.402 3.304 20 0 BGADHN CC(C)n1cc(CN(C)[C@H]2CCC[C@@H](C)C2)cn1 ZINC000180044824 384432238 /nfs/dbraw/zinc/43/22/38/384432238.db2.gz YRBDHSKDWWQRRL-HIFRSBDPSA-N 0 3 249.402 3.475 20 0 BGADHN CC(C)n1cc(CN(C)[C@H]2CCC[C@H](C)C2)cn1 ZINC000180044842 384432735 /nfs/dbraw/zinc/43/27/35/384432735.db2.gz YRBDHSKDWWQRRL-ZFWWWQNUSA-N 0 3 249.402 3.475 20 0 BGADHN CC(C)n1cc(CN(C)[C@@H]2CCC[C@@H](C)C2)cn1 ZINC000180044854 384431734 /nfs/dbraw/zinc/43/17/34/384431734.db2.gz YRBDHSKDWWQRRL-UKRRQHHQSA-N 0 3 249.402 3.475 20 0 BGADHN CC(C)n1cc(CN(C)[C@@H]2CCC[C@H](C)C2)cn1 ZINC000180044871 384430679 /nfs/dbraw/zinc/43/06/79/384430679.db2.gz YRBDHSKDWWQRRL-DZGCQCFKSA-N 0 3 249.402 3.475 20 0 BGADHN Cc1cccn2c(CN(C)CCC(C)C)cnc12 ZINC000180047190 541506109 /nfs/dbraw/zinc/50/61/09/541506109.db2.gz XZKRMMYOSDPUIE-UHFFFAOYSA-N 0 3 245.370 3.121 20 0 BGADHN CC(=O)Nc1ccccc1CN(C)CCC(C)C ZINC000180047432 541505796 /nfs/dbraw/zinc/50/57/96/541505796.db2.gz JFBYVNBOTFRSBH-UHFFFAOYSA-N 0 3 248.370 3.123 20 0 BGADHN CC(C)CCN(C)Cc1cnn(C(C)(C)C)c1 ZINC000180047685 541505748 /nfs/dbraw/zinc/50/57/48/541505748.db2.gz MHLFFMHAMWQNOJ-UHFFFAOYSA-N 0 3 237.391 3.116 20 0 BGADHN CCn1nccc1CN1CCC[C@H]1C(C)(C)CC ZINC000180067768 535868768 /nfs/dbraw/zinc/86/87/68/535868768.db2.gz CWKYHVBRCMOTEA-AWEZNQCLSA-N 0 3 249.402 3.304 20 0 BGADHN CCn1nccc1CN1CCC[C@@H]1C(C)(C)CC ZINC000180067781 535867240 /nfs/dbraw/zinc/86/72/40/535867240.db2.gz CWKYHVBRCMOTEA-CQSZACIVSA-N 0 3 249.402 3.304 20 0 BGADHN CCC[C@@H](C)CN1Cc2ccccc2C1 ZINC000180073191 366369434 /nfs/dbraw/zinc/36/94/34/366369434.db2.gz KDNRJAPCHZXKNV-GFCCVEGCSA-N 0 3 203.329 3.438 20 0 BGADHN CCC[C@H](C)CN1Cc2ccccc2C1 ZINC000180073208 366370328 /nfs/dbraw/zinc/37/03/28/366370328.db2.gz KDNRJAPCHZXKNV-LBPRGKRZSA-N 0 3 203.329 3.438 20 0 BGADHN CN(C)CCSCCCc1cccc(F)c1 ZINC000180077003 535920248 /nfs/dbraw/zinc/92/02/48/535920248.db2.gz QHOHPWRUGFFFBA-UHFFFAOYSA-N 0 3 241.375 3.053 20 0 BGADHN CCCN(Cc1c(C)nn(CCC)c1C)C1CC1 ZINC000180096772 262713145 /nfs/dbraw/zinc/71/31/45/262713145.db2.gz KJIXKHYACJQEEF-UHFFFAOYSA-N 0 3 249.402 3.284 20 0 BGADHN CCCN(CC1=Cc2ccccc2OC1)C1CC1 ZINC000180097886 169133457 /nfs/dbraw/zinc/13/34/57/169133457.db2.gz NXJWYNCXDMNPBO-UHFFFAOYSA-N 0 3 243.350 3.337 20 0 BGADHN CCCN(Cc1cnc2c(C)cccn12)C1CC1 ZINC000180098182 384438958 /nfs/dbraw/zinc/43/89/58/384438958.db2.gz VPYLFHWHAVYDFK-UHFFFAOYSA-N 0 3 243.354 3.017 20 0 BGADHN CCCN(Cc1c[nH]nc1C(C)(C)C)C1CC1 ZINC000180098376 384437915 /nfs/dbraw/zinc/43/79/15/384437915.db2.gz HYMLZQBUWKUJAQ-UHFFFAOYSA-N 0 3 235.375 3.082 20 0 BGADHN CCCN(Cc1ccccc1NC(C)=O)C1CC1 ZINC000180098758 169177769 /nfs/dbraw/zinc/17/77/69/169177769.db2.gz LAZMRWNKBFTJCQ-UHFFFAOYSA-N 0 3 246.354 3.019 20 0 BGADHN CCCN(Cc1cnc2ccc(C)cn12)C1CC1 ZINC000180099239 169178408 /nfs/dbraw/zinc/17/84/08/169178408.db2.gz ONXOULDVAGFOGL-UHFFFAOYSA-N 0 3 243.354 3.017 20 0 BGADHN CCN(Cc1cc(C)ccc1F)C1CC1 ZINC000180099753 384437008 /nfs/dbraw/zinc/43/70/08/384437008.db2.gz DTNYFTXNGXDTSF-UHFFFAOYSA-N 0 3 207.292 3.118 20 0 BGADHN CCN(Cc1c[nH]nc1-c1ccccc1)C1CC1 ZINC000180100949 384439624 /nfs/dbraw/zinc/43/96/24/384439624.db2.gz UYYPKXNTAVGERG-UHFFFAOYSA-N 0 3 241.338 3.061 20 0 BGADHN CCN(Cc1ccc(F)c(Cl)c1)C1CC1 ZINC000180101006 384437825 /nfs/dbraw/zinc/43/78/25/384437825.db2.gz MDUZGOKSKQYOKH-UHFFFAOYSA-N 0 3 227.710 3.463 20 0 BGADHN CCOc1cc(CN(CC)C2CC2)ccc1OC ZINC000180101423 385508459 /nfs/dbraw/zinc/50/84/59/385508459.db2.gz UJGKXPAXDFDHOK-UHFFFAOYSA-N 0 3 249.354 3.078 20 0 BGADHN CCN(Cc1ccc(F)c(C)c1)C1CC1 ZINC000180101534 384439300 /nfs/dbraw/zinc/43/93/00/384439300.db2.gz JKNSOOQDEXNENP-UHFFFAOYSA-N 0 3 207.292 3.118 20 0 BGADHN CCN(Cc1cnc(-c2ccccc2)[nH]1)C1CC1 ZINC000180101593 347013984 /nfs/dbraw/zinc/01/39/84/347013984.db2.gz KWQGVZZROCIYII-UHFFFAOYSA-N 0 3 241.338 3.061 20 0 BGADHN CCN(C/C=C/c1ccccc1OC)C1CC1 ZINC000180101988 385507859 /nfs/dbraw/zinc/50/78/59/385507859.db2.gz DSUOLTFGHGNETH-SOFGYWHQSA-N 0 3 231.339 3.193 20 0 BGADHN CCN(Cc1ccc(F)cc1C)C1CC1 ZINC000180102092 384437764 /nfs/dbraw/zinc/43/77/64/384437764.db2.gz GQVOLIQQKBBXSY-UHFFFAOYSA-N 0 3 207.292 3.118 20 0 BGADHN CCN(Cc1ccc(C)c(F)c1)C1CC1 ZINC000180103551 384441506 /nfs/dbraw/zinc/44/15/06/384441506.db2.gz CPDKCZDJFAHGER-UHFFFAOYSA-N 0 3 207.292 3.118 20 0 BGADHN CCN(Cc1ccc(Cl)c(F)c1)C1CC1 ZINC000180103721 384442204 /nfs/dbraw/zinc/44/22/04/384442204.db2.gz YOLKKKHOBIPOGC-UHFFFAOYSA-N 0 3 227.710 3.463 20 0 BGADHN CCN(Cc1cc2cc(OC)ccc2o1)C1CC1 ZINC000180103979 262713214 /nfs/dbraw/zinc/71/32/14/262713214.db2.gz TYAOUCRCLFCUMQ-UHFFFAOYSA-N 0 3 245.322 3.426 20 0 BGADHN CCN(Cc1cc(-c2ccccc2)n[nH]1)C1CC1 ZINC000180104032 384441839 /nfs/dbraw/zinc/44/18/39/384441839.db2.gz LEKMANPJVRXJPB-UHFFFAOYSA-N 0 3 241.338 3.061 20 0 BGADHN CCc1ccc(CN[C@@H](C)c2c[nH]nc2C)s1 ZINC000180123317 538957118 /nfs/dbraw/zinc/95/71/18/538957118.db2.gz IGRYDTOUDNHUPY-VIFPVBQESA-N 0 3 249.383 3.193 20 0 BGADHN CCc1ccc(CN[C@H](C)c2c[nH]nc2C)s1 ZINC000180123333 538957242 /nfs/dbraw/zinc/95/72/42/538957242.db2.gz IGRYDTOUDNHUPY-SECBINFHSA-N 0 3 249.383 3.193 20 0 BGADHN Cc1ccccc1[C@@H]1CCCN1Cc1cnc[nH]1 ZINC000180152727 179328369 /nfs/dbraw/zinc/32/83/69/179328369.db2.gz UTSUVSXZIFIPTP-HNNXBMFYSA-N 0 3 241.338 3.055 20 0 BGADHN Cc1ccccc1[C@@H]1CCCN1Cc1c[nH]cn1 ZINC000180152727 179328367 /nfs/dbraw/zinc/32/83/67/179328367.db2.gz UTSUVSXZIFIPTP-HNNXBMFYSA-N 0 3 241.338 3.055 20 0 BGADHN Cc1ccccc1[C@H]1CCCN1Cc1cnc[nH]1 ZINC000180152740 179346273 /nfs/dbraw/zinc/34/62/73/179346273.db2.gz UTSUVSXZIFIPTP-OAHLLOKOSA-N 0 3 241.338 3.055 20 0 BGADHN Cc1ccccc1[C@H]1CCCN1Cc1c[nH]cn1 ZINC000180152740 179346272 /nfs/dbraw/zinc/34/62/72/179346272.db2.gz UTSUVSXZIFIPTP-OAHLLOKOSA-N 0 3 241.338 3.055 20 0 BGADHN CN(CCC(=O)c1ccc(F)cc1)CCC1CC1 ZINC000180153173 385386797 /nfs/dbraw/zinc/38/67/97/385386797.db2.gz ZDYNCWOXTXAQSF-UHFFFAOYSA-N 0 3 249.329 3.130 20 0 BGADHN Cc1cccc([C@@H]2CCCN2Cc2cnc[nH]2)c1 ZINC000180156577 179189670 /nfs/dbraw/zinc/18/96/70/179189670.db2.gz OBUTZDBIDDZUDH-HNNXBMFYSA-N 0 3 241.338 3.055 20 0 BGADHN Cc1cccc([C@H]2CCCN2Cc2cnc[nH]2)c1 ZINC000180156593 179204555 /nfs/dbraw/zinc/20/45/55/179204555.db2.gz OBUTZDBIDDZUDH-OAHLLOKOSA-N 0 3 241.338 3.055 20 0 BGADHN Cc1n[nH]cc1[C@H](C)NCc1ccc(C)cc1C ZINC000180161314 538957325 /nfs/dbraw/zinc/95/73/25/538957325.db2.gz LRDSAJMQYVDICH-LBPRGKRZSA-N 0 3 243.354 3.186 20 0 BGADHN Cc1n[nH]cc1[C@@H](C)NCc1ccc(C)cc1C ZINC000180161326 538957490 /nfs/dbraw/zinc/95/74/90/538957490.db2.gz LRDSAJMQYVDICH-GFCCVEGCSA-N 0 3 243.354 3.186 20 0 BGADHN Cc1n[nH]cc1[C@H](C)N[C@H](C)c1ccc(C)cc1 ZINC000180167905 538957381 /nfs/dbraw/zinc/95/73/81/538957381.db2.gz LYBISEJVDWTCIJ-NEPJUHHUSA-N 0 3 243.354 3.438 20 0 BGADHN Cc1n[nH]cc1[C@H](C)N[C@@H](C)c1ccc(C)cc1 ZINC000180167917 538957425 /nfs/dbraw/zinc/95/74/25/538957425.db2.gz LYBISEJVDWTCIJ-RYUDHWBXSA-N 0 3 243.354 3.438 20 0 BGADHN Cc1n[nH]cc1[C@@H](C)N[C@H](C)c1ccc(C)cc1 ZINC000180167933 538957649 /nfs/dbraw/zinc/95/76/49/538957649.db2.gz LYBISEJVDWTCIJ-VXGBXAGGSA-N 0 3 243.354 3.438 20 0 BGADHN Cc1n[nH]cc1[C@@H](C)N[C@@H](C)c1ccc(C)cc1 ZINC000180167949 538957332 /nfs/dbraw/zinc/95/73/32/538957332.db2.gz LYBISEJVDWTCIJ-NWDGAFQWSA-N 0 3 243.354 3.438 20 0 BGADHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2C)c1[O-] ZINC000180189236 642776535 /nfs/dbraw/zinc/77/65/35/642776535.db2.gz SKDSQTAWMMZLHC-JTQLQIEISA-N 0 3 239.746 3.338 20 0 BGADHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2C)c1[O-] ZINC000180189236 642776526 /nfs/dbraw/zinc/77/65/26/642776526.db2.gz SKDSQTAWMMZLHC-JTQLQIEISA-N 0 3 239.746 3.338 20 0 BGADHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2C)c1[O-] ZINC000180189257 642778171 /nfs/dbraw/zinc/77/81/71/642778171.db2.gz SKDSQTAWMMZLHC-SNVBAGLBSA-N 0 3 239.746 3.338 20 0 BGADHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]2C)c1[O-] ZINC000180189257 642778158 /nfs/dbraw/zinc/77/81/58/642778158.db2.gz SKDSQTAWMMZLHC-SNVBAGLBSA-N 0 3 239.746 3.338 20 0 BGADHN CCC[C@H](NCC1(OC)CCC1)c1ccccn1 ZINC000180196617 535701621 /nfs/dbraw/zinc/70/16/21/535701621.db2.gz ASZIECFFVXTIPI-ZDUSSCGKSA-N 0 3 248.370 3.082 20 0 BGADHN CCC[C@@H](NCC1(OC)CCC1)c1ccccn1 ZINC000180196635 134328022 /nfs/dbraw/zinc/32/80/22/134328022.db2.gz ASZIECFFVXTIPI-CYBMUJFWSA-N 0 3 248.370 3.082 20 0 BGADHN CCc1ccc([C@@H](C)NCC2(OC)CCC2)o1 ZINC000180200473 134328038 /nfs/dbraw/zinc/32/80/38/134328038.db2.gz GSSYGKVKHOEDII-LLVKDONJSA-N 0 3 237.343 3.062 20 0 BGADHN CCc1ccc([C@H](C)NCC2(OC)CCC2)o1 ZINC000180200494 134328164 /nfs/dbraw/zinc/32/81/64/134328164.db2.gz GSSYGKVKHOEDII-NSHDSACASA-N 0 3 237.343 3.062 20 0 BGADHN CCCn1cc(CN(CC)C[C@@H](C)CC)cn1 ZINC000180202837 535608813 /nfs/dbraw/zinc/60/88/13/535608813.db2.gz VWUAUYSOODRSSH-ZDUSSCGKSA-N 0 3 237.391 3.161 20 0 BGADHN CCCn1cc(CN(CC)C[C@H](C)CC)cn1 ZINC000180202860 347017880 /nfs/dbraw/zinc/01/78/80/347017880.db2.gz VWUAUYSOODRSSH-CYBMUJFWSA-N 0 3 237.391 3.161 20 0 BGADHN CC[C@@H](C)CN(CC)Cc1cnn(C(C)C)c1 ZINC000180202981 535509424 /nfs/dbraw/zinc/50/94/24/535509424.db2.gz UWLYLHBULCIPIL-CYBMUJFWSA-N 0 3 237.391 3.332 20 0 BGADHN CC[C@H](C)CN(CC)Cc1cnn(C(C)C)c1 ZINC000180202998 134328028 /nfs/dbraw/zinc/32/80/28/134328028.db2.gz UWLYLHBULCIPIL-ZDUSSCGKSA-N 0 3 237.391 3.332 20 0 BGADHN CC(C)=CCN(Cc1ccccc1)CC(C)(C)O ZINC000180203376 366396519 /nfs/dbraw/zinc/39/65/19/366396519.db2.gz MZLHCQOLBGIFCM-UHFFFAOYSA-N 0 3 247.382 3.226 20 0 BGADHN CCn1nccc1CN1CCC[C@@H]1CCC(C)C ZINC000180203750 535867495 /nfs/dbraw/zinc/86/74/95/535867495.db2.gz NIFKYLROBGLKTA-CQSZACIVSA-N 0 3 249.402 3.304 20 0 BGADHN CCn1nccc1CN1CCC[C@H]1CCC(C)C ZINC000180203769 535869162 /nfs/dbraw/zinc/86/91/62/535869162.db2.gz NIFKYLROBGLKTA-AWEZNQCLSA-N 0 3 249.402 3.304 20 0 BGADHN C[C@H](N[C@@H]1CCOc2ccc(F)cc21)C1(C)CC1 ZINC000180216080 366395800 /nfs/dbraw/zinc/39/58/00/366395800.db2.gz JLAGURXSWVGLMQ-GXFFZTMASA-N 0 3 249.329 3.428 20 0 BGADHN C[C@@H](N[C@@H]1CCOc2ccc(F)cc21)C1(C)CC1 ZINC000180216098 366397328 /nfs/dbraw/zinc/39/73/28/366397328.db2.gz JLAGURXSWVGLMQ-ZWNOBZJWSA-N 0 3 249.329 3.428 20 0 BGADHN C[C@H](N[C@H]1CCOc2ccc(F)cc21)C1(C)CC1 ZINC000180216113 366397926 /nfs/dbraw/zinc/39/79/26/366397926.db2.gz JLAGURXSWVGLMQ-GWCFXTLKSA-N 0 3 249.329 3.428 20 0 BGADHN C[C@@H](N[C@H]1CCOc2ccc(F)cc21)C1(C)CC1 ZINC000180216128 366397896 /nfs/dbraw/zinc/39/78/96/366397896.db2.gz JLAGURXSWVGLMQ-MFKMUULPSA-N 0 3 249.329 3.428 20 0 BGADHN OCCCCCCNc1ccnc2ccccc21 ZINC000180217309 183043288 /nfs/dbraw/zinc/04/32/88/183043288.db2.gz YDDUFAFOGCWKRS-UHFFFAOYSA-N 0 3 244.338 3.199 20 0 BGADHN Cc1ccc([C@@H](C)NCC[C@@H]2CCCCO2)o1 ZINC000180259847 385516532 /nfs/dbraw/zinc/51/65/32/385516532.db2.gz GPDHOLWIPOVEGY-OLZOCXBDSA-N 0 3 237.343 3.198 20 0 BGADHN Cc1ccc([C@H](C)NCC[C@@H]2CCCCO2)o1 ZINC000180259858 385515573 /nfs/dbraw/zinc/51/55/73/385515573.db2.gz GPDHOLWIPOVEGY-STQMWFEESA-N 0 3 237.343 3.198 20 0 BGADHN Cc1ccc([C@@H](C)NCC[C@H]2CCCCO2)o1 ZINC000180259876 385516025 /nfs/dbraw/zinc/51/60/25/385516025.db2.gz GPDHOLWIPOVEGY-CHWSQXEVSA-N 0 3 237.343 3.198 20 0 BGADHN Cc1ccc([C@H](C)NCC[C@H]2CCCCO2)o1 ZINC000180259896 385515883 /nfs/dbraw/zinc/51/58/83/385515883.db2.gz GPDHOLWIPOVEGY-QWHCGFSZSA-N 0 3 237.343 3.198 20 0 BGADHN CCCCCN(Cc1cccnc1)C1CC1 ZINC000180267241 385517816 /nfs/dbraw/zinc/51/78/16/385517816.db2.gz WEGUCKHKINZPKZ-UHFFFAOYSA-N 0 3 218.344 3.236 20 0 BGADHN CC(C)(C)CCN(Cc1cccnc1)C1CC1 ZINC000180267870 366408532 /nfs/dbraw/zinc/40/85/32/366408532.db2.gz VNNZVFKFWKHKOR-UHFFFAOYSA-N 0 3 232.371 3.482 20 0 BGADHN C[C@@H]1CN([C@H]2CCCc3ccccc32)C[C@H](C)O1 ZINC000180329109 384456102 /nfs/dbraw/zinc/45/61/02/384456102.db2.gz RQHYCIDEEHQCCJ-ZENOOKHLSA-N 0 3 245.366 3.173 20 0 BGADHN CCOC[C@@H](C)NC1(c2ccccc2)CCC1 ZINC000180344307 366429707 /nfs/dbraw/zinc/42/97/07/366429707.db2.gz FCMKHZMEZPJNHW-CYBMUJFWSA-N 0 3 233.355 3.080 20 0 BGADHN CCOC[C@H](C)NC1(c2ccccc2)CCC1 ZINC000180344324 366430482 /nfs/dbraw/zinc/43/04/82/366430482.db2.gz FCMKHZMEZPJNHW-ZDUSSCGKSA-N 0 3 233.355 3.080 20 0 BGADHN Cc1cccnc1CN(C)CC1CCCCC1 ZINC000180409075 366449092 /nfs/dbraw/zinc/44/90/92/366449092.db2.gz KPLNHEROCLEWJI-UHFFFAOYSA-N 0 3 232.371 3.402 20 0 BGADHN Cc1cnc(CN2CCCCCCC2)s1 ZINC000180410000 385521916 /nfs/dbraw/zinc/52/19/16/385521916.db2.gz UGLKGLKEEXAGDR-UHFFFAOYSA-N 0 3 224.373 3.218 20 0 BGADHN CCCN(Cc1ncc(C)s1)CC1CC1 ZINC000180411782 169181979 /nfs/dbraw/zinc/18/19/79/169181979.db2.gz MCVDRJKAAYEXBB-UHFFFAOYSA-N 0 3 224.373 3.074 20 0 BGADHN Cc1cc(CN(C)C2CC2)ccc1Cl ZINC000180421143 134327251 /nfs/dbraw/zinc/32/72/51/134327251.db2.gz YGKOCVZEMZVMIQ-UHFFFAOYSA-N 0 3 209.720 3.243 20 0 BGADHN COC[C@H](C)N(C)Cc1ccc(Cl)c(C)c1 ZINC000180424076 134327106 /nfs/dbraw/zinc/32/71/06/134327106.db2.gz RKCPBLZEATYHOP-NSHDSACASA-N 0 3 241.762 3.115 20 0 BGADHN COC[C@@H](C)N(C)Cc1ccc(Cl)c(C)c1 ZINC000180424092 134327402 /nfs/dbraw/zinc/32/74/02/134327402.db2.gz RKCPBLZEATYHOP-LLVKDONJSA-N 0 3 241.762 3.115 20 0 BGADHN COCCCN(C)Cc1ccc(Cl)c(C)c1 ZINC000180425261 536514287 /nfs/dbraw/zinc/51/42/87/536514287.db2.gz ZUDOWJKZRGBGLW-UHFFFAOYSA-N 0 3 241.762 3.117 20 0 BGADHN Cc1cnc(CN(CC(C)C)C(C)C)s1 ZINC000180435249 385522359 /nfs/dbraw/zinc/52/23/59/385522359.db2.gz UOUQNKPSHNJDRE-UHFFFAOYSA-N 0 3 226.389 3.318 20 0 BGADHN Cc1cnc(CN(C)[C@@H]2CCC[C@H](C)C2)s1 ZINC000180435644 134326967 /nfs/dbraw/zinc/32/69/67/134326967.db2.gz DADQCVCVIKQXLM-CMPLNLGQSA-N 0 3 238.400 3.462 20 0 BGADHN Cc1cnc(CN(C)[C@H]2CCC[C@H](C)C2)s1 ZINC000180435664 134327088 /nfs/dbraw/zinc/32/70/88/134327088.db2.gz DADQCVCVIKQXLM-JQWIXIFHSA-N 0 3 238.400 3.462 20 0 BGADHN CCN(Cc1ncc(C)s1)C1CCCC1 ZINC000180436158 347028320 /nfs/dbraw/zinc/02/83/20/347028320.db2.gz WTPDDNCIJRNWDS-UHFFFAOYSA-N 0 3 224.373 3.216 20 0 BGADHN Cc1ccc(NC(=O)CN(C(C)C)C(C)C)cc1 ZINC000180444452 385523261 /nfs/dbraw/zinc/52/32/61/385523261.db2.gz LQHPVJGYMNOLHH-UHFFFAOYSA-N 0 3 248.370 3.052 20 0 BGADHN Cc1nc(CN(C(C)C)C(C)C)sc1C ZINC000180446320 385523995 /nfs/dbraw/zinc/52/39/95/385523995.db2.gz HBCZGECALHZMJY-UHFFFAOYSA-N 0 3 226.389 3.379 20 0 BGADHN CCN(Cc1ncc(C)s1)[C@@H](C)C(C)C ZINC000180449172 347028407 /nfs/dbraw/zinc/02/84/07/347028407.db2.gz UNZWWSCHEQWERE-NSHDSACASA-N 0 3 226.389 3.318 20 0 BGADHN CCN(Cc1ncc(C)s1)[C@H](C)C(C)C ZINC000180449194 347028350 /nfs/dbraw/zinc/02/83/50/347028350.db2.gz UNZWWSCHEQWERE-LLVKDONJSA-N 0 3 226.389 3.318 20 0 BGADHN Cc1cnc(CN2CCC[C@H](C)CC2)s1 ZINC000180449911 385523271 /nfs/dbraw/zinc/52/32/71/385523271.db2.gz HEBAFIWNBGFICP-JTQLQIEISA-N 0 3 224.373 3.074 20 0 BGADHN Cc1cnc(CN2CCC[C@@H](C)CC2)s1 ZINC000180449927 385523351 /nfs/dbraw/zinc/52/33/51/385523351.db2.gz HEBAFIWNBGFICP-SNVBAGLBSA-N 0 3 224.373 3.074 20 0 BGADHN Cc1ccccc1NC(=O)CN(C(C)C)C(C)C ZINC000180451720 538958640 /nfs/dbraw/zinc/95/86/40/538958640.db2.gz OLPFDJYLLGVYLQ-UHFFFAOYSA-N 0 3 248.370 3.052 20 0 BGADHN Cc1cnc(CN(C)C(C2CC2)C2CC2)s1 ZINC000180456276 134327673 /nfs/dbraw/zinc/32/76/73/134327673.db2.gz UUUMBOZKHHNZRC-UHFFFAOYSA-N 0 3 236.384 3.072 20 0 BGADHN CC(C)N(Cc1cnc(Cl)s1)C(C)C ZINC000180456495 385524409 /nfs/dbraw/zinc/52/44/09/385524409.db2.gz GASOQAUFCWSKHL-UHFFFAOYSA-N 0 3 232.780 3.415 20 0 BGADHN Cc1ccc([C@@H](C)NCCCCOC(C)C)o1 ZINC000180464545 387932125 /nfs/dbraw/zinc/93/21/25/387932125.db2.gz ZXFOCJVTZVGHRS-CYBMUJFWSA-N 0 3 239.359 3.444 20 0 BGADHN Cc1ccc([C@H](C)NCCCCOC(C)C)o1 ZINC000180464564 192026928 /nfs/dbraw/zinc/02/69/28/192026928.db2.gz ZXFOCJVTZVGHRS-ZDUSSCGKSA-N 0 3 239.359 3.444 20 0 BGADHN Cc1cnc(CN2CCC[C@@H]2C2CCC2)s1 ZINC000180470523 384465983 /nfs/dbraw/zinc/46/59/83/384465983.db2.gz UFPLAXYGMKHSRW-GFCCVEGCSA-N 0 3 236.384 3.216 20 0 BGADHN Cc1cnc(CN2CCC[C@H]2C2CCC2)s1 ZINC000180470543 384466005 /nfs/dbraw/zinc/46/60/05/384466005.db2.gz UFPLAXYGMKHSRW-LBPRGKRZSA-N 0 3 236.384 3.216 20 0 BGADHN Cc1cccnc1CN1CCCC(C)(C)C1 ZINC000180492940 179373821 /nfs/dbraw/zinc/37/38/21/179373821.db2.gz OVEQXONSSIPFBR-UHFFFAOYSA-N 0 3 218.344 3.012 20 0 BGADHN CC[C@@H]1CCCN(Cc2ncc(C)s2)CC1 ZINC000180499879 134328792 /nfs/dbraw/zinc/32/87/92/134328792.db2.gz QACTWRXKMZMMCQ-GFCCVEGCSA-N 0 3 238.400 3.464 20 0 BGADHN CC[C@H]1CCCN(Cc2ncc(C)s2)CC1 ZINC000180499896 134328870 /nfs/dbraw/zinc/32/88/70/134328870.db2.gz QACTWRXKMZMMCQ-LBPRGKRZSA-N 0 3 238.400 3.464 20 0 BGADHN Cc1cnc(CN2CCCC[C@@H]2C(C)C)s1 ZINC000180500145 134328898 /nfs/dbraw/zinc/32/88/98/134328898.db2.gz JWGDIFDVDURFQC-GFCCVEGCSA-N 0 3 238.400 3.462 20 0 BGADHN Cc1cnc(CN2CCCC[C@H]2C(C)C)s1 ZINC000180500165 134328726 /nfs/dbraw/zinc/32/87/26/134328726.db2.gz JWGDIFDVDURFQC-LBPRGKRZSA-N 0 3 238.400 3.462 20 0 BGADHN Cc1cnc(CN2C[C@H](C)CCC[C@@H]2C)s1 ZINC000180509290 347031055 /nfs/dbraw/zinc/03/10/55/347031055.db2.gz IEAYYBBZPAHJBK-MNOVXSKESA-N 0 3 238.400 3.462 20 0 BGADHN Cc1cnc(CN2C[C@@H](C)CCC[C@@H]2C)s1 ZINC000180509310 134329662 /nfs/dbraw/zinc/32/96/62/134329662.db2.gz IEAYYBBZPAHJBK-QWRGUYRKSA-N 0 3 238.400 3.462 20 0 BGADHN CCc1ccc([C@@H](C)NC2CCSCC2)o1 ZINC000180511216 385391597 /nfs/dbraw/zinc/39/15/97/385391597.db2.gz HGZYZAHLRHZXNJ-SNVBAGLBSA-N 0 3 239.384 3.388 20 0 BGADHN CCc1ccc([C@H](C)NC2CCSCC2)o1 ZINC000180511233 385390639 /nfs/dbraw/zinc/39/06/39/385390639.db2.gz HGZYZAHLRHZXNJ-JTQLQIEISA-N 0 3 239.384 3.388 20 0 BGADHN Cc1cnc(CN2CCCC(C)(C)CC2)s1 ZINC000180511287 347031725 /nfs/dbraw/zinc/03/17/25/347031725.db2.gz NTTDORZFPCASLU-UHFFFAOYSA-N 0 3 238.400 3.464 20 0 BGADHN Cc1cnc(CN2CCC[C@H]3CCC[C@@H]32)s1 ZINC000180512678 366489518 /nfs/dbraw/zinc/48/95/18/366489518.db2.gz NGAOQQDMWDOVRH-NEPJUHHUSA-N 0 3 236.384 3.216 20 0 BGADHN Cc1cnc(CN2CCC[C@@H]3CCC[C@@H]32)s1 ZINC000180512698 366489700 /nfs/dbraw/zinc/48/97/00/366489700.db2.gz NGAOQQDMWDOVRH-RYUDHWBXSA-N 0 3 236.384 3.216 20 0 BGADHN CC(C)n1cc(CN2CC[C@@H](C)C[C@@H](C)C2)cn1 ZINC000180519674 134329743 /nfs/dbraw/zinc/32/97/43/134329743.db2.gz LGXFAEXQFRYLRR-ZIAGYGMSSA-N 0 3 249.402 3.332 20 0 BGADHN CC(C)n1cc(CN2CC[C@H](C)C[C@@H](C)C2)cn1 ZINC000180519693 134329681 /nfs/dbraw/zinc/32/96/81/134329681.db2.gz LGXFAEXQFRYLRR-UONOGXRCSA-N 0 3 249.402 3.332 20 0 BGADHN Cc1cnc(CN2CC[C@H](CC(C)C)C2)s1 ZINC000180525456 134329726 /nfs/dbraw/zinc/32/97/26/134329726.db2.gz IZDJRSPMXVQCLY-GFCCVEGCSA-N 0 3 238.400 3.320 20 0 BGADHN Cc1cnc(CN2CC[C@@H](CC(C)C)C2)s1 ZINC000180525475 134329885 /nfs/dbraw/zinc/32/98/85/134329885.db2.gz IZDJRSPMXVQCLY-LBPRGKRZSA-N 0 3 238.400 3.320 20 0 BGADHN CC[C@@H](C)CN(CC)Cc1ncc(C)s1 ZINC000180530950 170701966 /nfs/dbraw/zinc/70/19/66/170701966.db2.gz VNJIFDNBBKSFRY-SNVBAGLBSA-N 0 3 226.389 3.320 20 0 BGADHN CC[C@H](C)CN(CC)Cc1ncc(C)s1 ZINC000180530968 171277822 /nfs/dbraw/zinc/27/78/22/171277822.db2.gz VNJIFDNBBKSFRY-JTQLQIEISA-N 0 3 226.389 3.320 20 0 BGADHN Cc1n[nH]cc1[C@@H](C)NC/C=C/c1ccccc1 ZINC000180532452 711888472 /nfs/dbraw/zinc/88/84/72/711888472.db2.gz YMQVPRLRVHKOHQ-UVMWJGKXSA-N 0 3 241.338 3.082 20 0 BGADHN Cc1n[nH]cc1[C@H](C)NC/C=C/c1ccccc1 ZINC000180532475 711888421 /nfs/dbraw/zinc/88/84/21/711888421.db2.gz YMQVPRLRVHKOHQ-LZGFCCKTSA-N 0 3 241.338 3.082 20 0 BGADHN CC(C)n1cc(CN(C)[C@@H](C)C2(C)CC2)cn1 ZINC000180534494 134329718 /nfs/dbraw/zinc/32/97/18/134329718.db2.gz TVDPCKOUPSBKBU-LBPRGKRZSA-N 0 3 235.375 3.084 20 0 BGADHN CC(C)n1cc(CN(C)[C@H](C)C2(C)CC2)cn1 ZINC000180534510 134329616 /nfs/dbraw/zinc/32/96/16/134329616.db2.gz TVDPCKOUPSBKBU-GFCCVEGCSA-N 0 3 235.375 3.084 20 0 BGADHN Cc1cnc(CN2C[C@@H]3CCCC[C@@H]3C2)s1 ZINC000180535017 134329824 /nfs/dbraw/zinc/32/98/24/134329824.db2.gz RSTIWBYDTWPNCL-TXEJJXNPSA-N 0 3 236.384 3.074 20 0 BGADHN Cc1cnc(CN2C[C@H]3CCCC[C@@H]3C2)s1 ZINC000180535033 343213893 /nfs/dbraw/zinc/21/38/93/343213893.db2.gz RSTIWBYDTWPNCL-VXGBXAGGSA-N 0 3 236.384 3.074 20 0 BGADHN Cc1cnc(CN2C[C@@H]3CCCC[C@H]3C2)s1 ZINC000180535049 343214056 /nfs/dbraw/zinc/21/40/56/343214056.db2.gz RSTIWBYDTWPNCL-RYUDHWBXSA-N 0 3 236.384 3.074 20 0 BGADHN CCc1ccccc1CN[C@@H](C)c1c[nH]nc1C ZINC000180603084 538958084 /nfs/dbraw/zinc/95/80/84/538958084.db2.gz BJDJTSYFPXEFCV-NSHDSACASA-N 0 3 243.354 3.131 20 0 BGADHN CCc1ccccc1CN[C@H](C)c1c[nH]nc1C ZINC000180603103 538958221 /nfs/dbraw/zinc/95/82/21/538958221.db2.gz BJDJTSYFPXEFCV-LLVKDONJSA-N 0 3 243.354 3.131 20 0 BGADHN CCOCCN(C)Cc1ccc(Cl)c(C)c1 ZINC000180662603 134330500 /nfs/dbraw/zinc/33/05/00/134330500.db2.gz PYTGZHQIUQOAFT-UHFFFAOYSA-N 0 3 241.762 3.117 20 0 BGADHN Cc1cnc(CN2CC[C@H](C)C[C@H](C)C2)s1 ZINC000180664356 134330313 /nfs/dbraw/zinc/33/03/13/134330313.db2.gz YJCUHTBTZKJMLX-QWRGUYRKSA-N 0 3 238.400 3.320 20 0 BGADHN Cc1cnc(CN2CC[C@@H](C)C[C@H](C)C2)s1 ZINC000180664375 134330309 /nfs/dbraw/zinc/33/03/09/134330309.db2.gz YJCUHTBTZKJMLX-MNOVXSKESA-N 0 3 238.400 3.320 20 0 BGADHN CC(C)CC[C@@H]1CCCCN1Cc1cncnc1 ZINC000180675073 538958923 /nfs/dbraw/zinc/95/89/23/538958923.db2.gz BTWLWXWHHLOUGD-HNNXBMFYSA-N 0 3 247.386 3.267 20 0 BGADHN CC(C)CC[C@H]1CCCCN1Cc1cncnc1 ZINC000180675094 538958777 /nfs/dbraw/zinc/95/87/77/538958777.db2.gz BTWLWXWHHLOUGD-OAHLLOKOSA-N 0 3 247.386 3.267 20 0 BGADHN CCOc1cccc([C@@H](C)NC/C=C/Cl)c1 ZINC000180714830 385392597 /nfs/dbraw/zinc/39/25/97/385392597.db2.gz CJJDRCDXHQPMKI-AYLMVEPYSA-N 0 3 239.746 3.488 20 0 BGADHN CCOc1cccc([C@H](C)NC/C=C/Cl)c1 ZINC000180714848 385393854 /nfs/dbraw/zinc/39/38/54/385393854.db2.gz CJJDRCDXHQPMKI-BWNDKRECSA-N 0 3 239.746 3.488 20 0 BGADHN CC[C@@H](C)CN(Cc1cccnc1)C1CC1 ZINC000180732435 385542433 /nfs/dbraw/zinc/54/24/33/385542433.db2.gz HVQSKMFKVYIXMA-GFCCVEGCSA-N 0 3 218.344 3.092 20 0 BGADHN CC[C@H](C)CN(Cc1cccnc1)C1CC1 ZINC000180732449 171279134 /nfs/dbraw/zinc/27/91/34/171279134.db2.gz HVQSKMFKVYIXMA-LBPRGKRZSA-N 0 3 218.344 3.092 20 0 BGADHN c1cncc(CN(C2CC2)[C@H]2C=CCCC2)c1 ZINC000180742915 385544173 /nfs/dbraw/zinc/54/41/73/385544173.db2.gz RFOQOAGGSZEFGZ-AWEZNQCLSA-N 0 3 228.339 3.155 20 0 BGADHN c1cncc(CN(C2CC2)[C@@H]2C=CCCC2)c1 ZINC000180742931 188345114 /nfs/dbraw/zinc/34/51/14/188345114.db2.gz RFOQOAGGSZEFGZ-CQSZACIVSA-N 0 3 228.339 3.155 20 0 BGADHN c1cc(Oc2ccccc2)oc1CNC1CC1 ZINC000180755959 385544508 /nfs/dbraw/zinc/54/45/08/385544508.db2.gz BZHUUAACQHABGZ-UHFFFAOYSA-N 0 3 229.279 3.324 20 0 BGADHN Cc1cc(CN2CCCC2)ccc1Cl ZINC000180781006 134331864 /nfs/dbraw/zinc/33/18/64/134331864.db2.gz XICOAJZCOLJVIX-UHFFFAOYSA-N 0 3 209.720 3.244 20 0 BGADHN CN(CCC1CC1)Cc1cc(F)c(F)c(F)c1 ZINC000180787178 134331654 /nfs/dbraw/zinc/33/16/54/134331654.db2.gz HHDCPKHROLJRKL-UHFFFAOYSA-N 0 3 243.272 3.336 20 0 BGADHN c1ccc(CN(CC2CCCC2)C2CC2)nc1 ZINC000180854759 183396461 /nfs/dbraw/zinc/39/64/61/183396461.db2.gz BXPVZOGPTOZEPY-UHFFFAOYSA-N 0 3 230.355 3.236 20 0 BGADHN CC[C@@H](C)CN(Cc1ccccn1)C1CC1 ZINC000180860968 385553148 /nfs/dbraw/zinc/55/31/48/385553148.db2.gz YDTGOPDIIJCXFO-GFCCVEGCSA-N 0 3 218.344 3.092 20 0 BGADHN CC[C@H](C)CN(Cc1ccccn1)C1CC1 ZINC000180860987 171279621 /nfs/dbraw/zinc/27/96/21/171279621.db2.gz YDTGOPDIIJCXFO-LBPRGKRZSA-N 0 3 218.344 3.092 20 0 BGADHN CSCCNC(C)(C)c1ccc(F)c(F)c1 ZINC000180869139 385397191 /nfs/dbraw/zinc/39/71/91/385397191.db2.gz MYWRSYXOWAWUDD-UHFFFAOYSA-N 0 3 245.338 3.153 20 0 BGADHN c1ccc(CN(C2CC2)[C@H]2C=CCCC2)nc1 ZINC000180869150 187308923 /nfs/dbraw/zinc/30/89/23/187308923.db2.gz UBFHXOACVXOYLY-AWEZNQCLSA-N 0 3 228.339 3.155 20 0 BGADHN c1ccc(CN(C2CC2)[C@@H]2C=CCCC2)nc1 ZINC000180869168 385553120 /nfs/dbraw/zinc/55/31/20/385553120.db2.gz UBFHXOACVXOYLY-CQSZACIVSA-N 0 3 228.339 3.155 20 0 BGADHN COc1ccc([C@H](C)NCC=C(C)C)cc1OC ZINC000180889134 175188796 /nfs/dbraw/zinc/18/87/96/175188796.db2.gz TZRIDXJHALVMHI-LBPRGKRZSA-N 0 3 249.354 3.321 20 0 BGADHN COc1ccc([C@@H](C)NCC=C(C)C)cc1OC ZINC000180889153 188166999 /nfs/dbraw/zinc/16/69/99/188166999.db2.gz TZRIDXJHALVMHI-GFCCVEGCSA-N 0 3 249.354 3.321 20 0 BGADHN C[C@@H](CN[C@@H](C)c1ccoc1)Oc1ccccc1 ZINC000180891302 366556907 /nfs/dbraw/zinc/55/69/07/366556907.db2.gz OIFFBNSMSHMXBV-STQMWFEESA-N 0 3 245.322 3.398 20 0 BGADHN C[C@H](CN[C@@H](C)c1ccoc1)Oc1ccccc1 ZINC000180891320 366556771 /nfs/dbraw/zinc/55/67/71/366556771.db2.gz OIFFBNSMSHMXBV-OLZOCXBDSA-N 0 3 245.322 3.398 20 0 BGADHN C[C@@H](NC[C@H](C)Oc1ccccc1)c1ccoc1 ZINC000180891337 366557089 /nfs/dbraw/zinc/55/70/89/366557089.db2.gz OIFFBNSMSHMXBV-QWHCGFSZSA-N 0 3 245.322 3.398 20 0 BGADHN C[C@H](CN[C@H](C)c1ccoc1)Oc1ccccc1 ZINC000180891351 366557130 /nfs/dbraw/zinc/55/71/30/366557130.db2.gz OIFFBNSMSHMXBV-CHWSQXEVSA-N 0 3 245.322 3.398 20 0 BGADHN Cc1ccc(CCN[C@@H](C)c2ccoc2)cc1 ZINC000180938780 366561133 /nfs/dbraw/zinc/56/11/33/366561133.db2.gz KOQWGKZMLAUEKW-ZDUSSCGKSA-N 0 3 229.323 3.481 20 0 BGADHN Cc1ccc(CCN[C@H](C)c2ccoc2)cc1 ZINC000180938802 366560730 /nfs/dbraw/zinc/56/07/30/366560730.db2.gz KOQWGKZMLAUEKW-CYBMUJFWSA-N 0 3 229.323 3.481 20 0 BGADHN CCN(CC)[C@@H](C)c1nc2ccccc2o1 ZINC000180949000 385556682 /nfs/dbraw/zinc/55/66/82/385556682.db2.gz AXTOVJMGPKZIFN-JTQLQIEISA-N 0 3 218.300 3.231 20 0 BGADHN CCN(CC)[C@H](C)c1nc2ccccc2o1 ZINC000180949016 385557022 /nfs/dbraw/zinc/55/70/22/385557022.db2.gz AXTOVJMGPKZIFN-SNVBAGLBSA-N 0 3 218.300 3.231 20 0 BGADHN C[C@@H]1CN(CC(C)(C)c2ccccc2)C[C@H](C)O1 ZINC000180952114 538959725 /nfs/dbraw/zinc/95/97/25/538959725.db2.gz KNTKZQBOGIMNTR-OKILXGFUSA-N 0 3 247.382 3.073 20 0 BGADHN C[C@@H](c1nc2ccccc2o1)N(C)CC1CC1 ZINC000180977996 176039463 /nfs/dbraw/zinc/03/94/63/176039463.db2.gz YYALUPPORQYFKR-JTQLQIEISA-N 0 3 230.311 3.231 20 0 BGADHN C[C@H](c1nc2ccccc2o1)N(C)CC1CC1 ZINC000180978008 177054448 /nfs/dbraw/zinc/05/44/48/177054448.db2.gz YYALUPPORQYFKR-SNVBAGLBSA-N 0 3 230.311 3.231 20 0 BGADHN Cc1cc(CNCc2cccn2C)ccc1Cl ZINC000180987926 178027115 /nfs/dbraw/zinc/02/71/15/178027115.db2.gz WHCQIUCCBFITJB-UHFFFAOYSA-N 0 3 248.757 3.277 20 0 BGADHN Cn1cccc1[C@@H]1CCCN1Cc1ccccc1 ZINC000181020124 385559946 /nfs/dbraw/zinc/55/99/46/385559946.db2.gz AZSBHGOWHIQVHK-INIZCTEOSA-N 0 3 240.350 3.362 20 0 BGADHN Cn1cccc1[C@H]1CCCN1Cc1ccccc1 ZINC000181020146 385560061 /nfs/dbraw/zinc/56/00/61/385560061.db2.gz AZSBHGOWHIQVHK-MRXNPFEDSA-N 0 3 240.350 3.362 20 0 BGADHN CCCN(C)[C@@H](C)c1nc2ccccc2o1 ZINC000181039990 169086912 /nfs/dbraw/zinc/08/69/12/169086912.db2.gz VPKVKGOAXUSTML-JTQLQIEISA-N 0 3 218.300 3.231 20 0 BGADHN CCCN(C)[C@H](C)c1nc2ccccc2o1 ZINC000181040016 169086962 /nfs/dbraw/zinc/08/69/62/169086962.db2.gz VPKVKGOAXUSTML-SNVBAGLBSA-N 0 3 218.300 3.231 20 0 BGADHN C=C(C)C[N@H+](C)Cc1cc(Cl)cc(C)c1[O-] ZINC000181050371 642834080 /nfs/dbraw/zinc/83/40/80/642834080.db2.gz PDSSKFQZWDCAAC-UHFFFAOYSA-N 0 3 239.746 3.362 20 0 BGADHN C=C(C)C[N@@H+](C)Cc1cc(Cl)cc(C)c1[O-] ZINC000181050371 642834075 /nfs/dbraw/zinc/83/40/75/642834075.db2.gz PDSSKFQZWDCAAC-UHFFFAOYSA-N 0 3 239.746 3.362 20 0 BGADHN COCCN[C@H](c1cccc(F)c1)C(C)(C)C ZINC000181059964 366783257 /nfs/dbraw/zinc/78/32/57/366783257.db2.gz ONFPTPSHNPMTDX-CYBMUJFWSA-N 0 3 239.334 3.149 20 0 BGADHN COCCN[C@@H](c1cccc(F)c1)C(C)(C)C ZINC000181059980 366783943 /nfs/dbraw/zinc/78/39/43/366783943.db2.gz ONFPTPSHNPMTDX-ZDUSSCGKSA-N 0 3 239.334 3.149 20 0 BGADHN COC1(CNCc2coc3ccccc23)CCC1 ZINC000181072676 385402904 /nfs/dbraw/zinc/40/29/04/385402904.db2.gz AVXLMSJXPRVOHF-UHFFFAOYSA-N 0 3 245.322 3.092 20 0 BGADHN COC1(CNCc2cc3ccccc3o2)CCC1 ZINC000181076301 385403420 /nfs/dbraw/zinc/40/34/20/385403420.db2.gz OEWOBWKGYLDFBT-UHFFFAOYSA-N 0 3 245.322 3.092 20 0 BGADHN CC(C)=CCN1CCC[C@@H]1c1cccn1C ZINC000181078584 187308999 /nfs/dbraw/zinc/30/89/99/187308999.db2.gz SZVHYIKBFNTDLE-CQSZACIVSA-N 0 3 218.344 3.128 20 0 BGADHN CC(C)=CCN1CCC[C@H]1c1cccn1C ZINC000181078604 385562277 /nfs/dbraw/zinc/56/22/77/385562277.db2.gz SZVHYIKBFNTDLE-AWEZNQCLSA-N 0 3 218.344 3.128 20 0 BGADHN COC1(CNCc2ccc([C@H]3C[C@H]3C)o2)CCC1 ZINC000181085174 385403302 /nfs/dbraw/zinc/40/33/02/385403302.db2.gz DHBKSDBSAPJBIX-YPMHNXCESA-N 0 3 249.354 3.062 20 0 BGADHN COC1(CNCc2ccc([C@H]3C[C@@H]3C)o2)CCC1 ZINC000181085192 385403083 /nfs/dbraw/zinc/40/30/83/385403083.db2.gz DHBKSDBSAPJBIX-AAEUAGOBSA-N 0 3 249.354 3.062 20 0 BGADHN COC1(CNCc2ccc([C@@H]3C[C@H]3C)o2)CCC1 ZINC000181085209 385403136 /nfs/dbraw/zinc/40/31/36/385403136.db2.gz DHBKSDBSAPJBIX-DGCLKSJQSA-N 0 3 249.354 3.062 20 0 BGADHN COC1(CNCc2ccc([C@@H]3C[C@@H]3C)o2)CCC1 ZINC000181085225 385402999 /nfs/dbraw/zinc/40/29/99/385402999.db2.gz DHBKSDBSAPJBIX-WCQYABFASA-N 0 3 249.354 3.062 20 0 BGADHN CC[C@@H](C)N1CCc2[nH]c3ccccc3c2C1 ZINC000181102078 385563682 /nfs/dbraw/zinc/56/36/82/385563682.db2.gz OQCKQSVCKVULCU-LLVKDONJSA-N 0 3 228.339 3.325 20 0 BGADHN CC[C@H](C)N1CCc2[nH]c3ccccc3c2C1 ZINC000181102096 171320135 /nfs/dbraw/zinc/32/01/35/171320135.db2.gz OQCKQSVCKVULCU-NSHDSACASA-N 0 3 228.339 3.325 20 0 BGADHN CC[C@@H](C)N1CCO[C@@](C)(c2ccccc2)C1 ZINC000181126771 366788466 /nfs/dbraw/zinc/78/84/66/366788466.db2.gz YWLHCGYIVDHQDH-UKRRQHHQSA-N 0 3 233.355 3.033 20 0 BGADHN CC[C@H](C)N1CCO[C@@](C)(c2ccccc2)C1 ZINC000181126790 366788059 /nfs/dbraw/zinc/78/80/59/366788059.db2.gz YWLHCGYIVDHQDH-DZGCQCFKSA-N 0 3 233.355 3.033 20 0 BGADHN C[C@@H](c1nc2ccccc2o1)N1CCC[C@H]1C ZINC000181127213 176039031 /nfs/dbraw/zinc/03/90/31/176039031.db2.gz BPXQPGNWBMDUTB-MNOVXSKESA-N 0 3 230.311 3.373 20 0 BGADHN C[C@@H](c1nc2ccccc2o1)N1CCC[C@@H]1C ZINC000181127231 177112341 /nfs/dbraw/zinc/11/23/41/177112341.db2.gz BPXQPGNWBMDUTB-QWRGUYRKSA-N 0 3 230.311 3.373 20 0 BGADHN Cc1ccc2c(c1)[C@@H](NCc1cc[nH]c1)[C@H](C)C2 ZINC000181147646 385565256 /nfs/dbraw/zinc/56/52/56/385565256.db2.gz AWLQWDMTELPWLI-WBMJQRKESA-N 0 3 240.350 3.346 20 0 BGADHN CCNC1(c2ccc(F)cc2F)CCCC1 ZINC000181248620 385404636 /nfs/dbraw/zinc/40/46/36/385404636.db2.gz ADENIPCWKPNNRK-UHFFFAOYSA-N 0 3 225.282 3.344 20 0 BGADHN Cc1occc1SCCN1CCC(C)CC1 ZINC000181292222 134334994 /nfs/dbraw/zinc/33/49/94/134334994.db2.gz PQYYBRCYJHPFLB-UHFFFAOYSA-N 0 3 239.384 3.412 20 0 BGADHN CCCCCN(Cc1ccccn1)C1CC1 ZINC000181302406 385570594 /nfs/dbraw/zinc/57/05/94/385570594.db2.gz MWEUDXFFMOXRTO-UHFFFAOYSA-N 0 3 218.344 3.236 20 0 BGADHN CC(C)(C)CCN(Cc1ccccn1)C1CC1 ZINC000181307732 385569856 /nfs/dbraw/zinc/56/98/56/385569856.db2.gz DJTABVGSYQTWBX-UHFFFAOYSA-N 0 3 232.371 3.482 20 0 BGADHN CCN(CC)CCSc1ncccc1Cl ZINC000181317023 134335857 /nfs/dbraw/zinc/33/58/57/134335857.db2.gz UKBCUMGRUMWQBA-UHFFFAOYSA-N 0 3 244.791 3.169 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CN[C@@H]2CCCOCC2)o1 ZINC000181384724 385405177 /nfs/dbraw/zinc/40/51/77/385405177.db2.gz RTLCQIUTOPIMCL-BZPMIXESSA-N 0 3 249.354 3.062 20 0 BGADHN C[C@H]1C[C@@H]1c1ccc(CN[C@@H]2CCCOCC2)o1 ZINC000181384741 177351878 /nfs/dbraw/zinc/35/18/78/177351878.db2.gz RTLCQIUTOPIMCL-SCRDCRAPSA-N 0 3 249.354 3.062 20 0 BGADHN C[C@@H]1C[C@H]1c1ccc(CN[C@@H]2CCCOCC2)o1 ZINC000181384758 385404470 /nfs/dbraw/zinc/40/44/70/385404470.db2.gz RTLCQIUTOPIMCL-YRGRVCCFSA-N 0 3 249.354 3.062 20 0 BGADHN C[C@H]1C[C@H]1c1ccc(CN[C@@H]2CCCOCC2)o1 ZINC000181384774 177387033 /nfs/dbraw/zinc/38/70/33/177387033.db2.gz RTLCQIUTOPIMCL-OUCADQQQSA-N 0 3 249.354 3.062 20 0 BGADHN C[C@H](NC1Cc2ccccc2C1)c1ccoc1 ZINC000181401551 366808401 /nfs/dbraw/zinc/80/84/01/366808401.db2.gz LSCUWLPERZBMCH-NSHDSACASA-N 0 3 227.307 3.098 20 0 BGADHN C[C@@H](NC1Cc2ccccc2C1)c1ccoc1 ZINC000181401571 366808653 /nfs/dbraw/zinc/80/86/53/366808653.db2.gz LSCUWLPERZBMCH-LLVKDONJSA-N 0 3 227.307 3.098 20 0 BGADHN C[C@H](N[C@@H]1CC(C)(C)OC1(C)C)c1ccoc1 ZINC000181401669 345929962 /nfs/dbraw/zinc/92/99/62/345929962.db2.gz PVLHQLIERDIPCK-CMPLNLGQSA-N 0 3 237.343 3.276 20 0 BGADHN C[C@@H](N[C@@H]1CC(C)(C)OC1(C)C)c1ccoc1 ZINC000181401686 345930056 /nfs/dbraw/zinc/93/00/56/345930056.db2.gz PVLHQLIERDIPCK-ZYHUDNBSSA-N 0 3 237.343 3.276 20 0 BGADHN C[C@H](N[C@H]1CC(C)(C)OC1(C)C)c1ccoc1 ZINC000181401705 345930070 /nfs/dbraw/zinc/93/00/70/345930070.db2.gz PVLHQLIERDIPCK-JQWIXIFHSA-N 0 3 237.343 3.276 20 0 BGADHN C[C@@H](N[C@H]1CC(C)(C)OC1(C)C)c1ccoc1 ZINC000181401720 345929992 /nfs/dbraw/zinc/92/99/92/345929992.db2.gz PVLHQLIERDIPCK-PWSUYJOCSA-N 0 3 237.343 3.276 20 0 BGADHN CC(C)CCN(Cc1ccncc1)C1CC1 ZINC000181438921 166835593 /nfs/dbraw/zinc/83/55/93/166835593.db2.gz DWRRUVUZZOUFRL-UHFFFAOYSA-N 0 3 218.344 3.092 20 0 BGADHN CCOCCN(C)C/C(C)=C/c1ccccc1 ZINC000181478268 384508660 /nfs/dbraw/zinc/50/86/60/384508660.db2.gz PHRXQJRJAQIPEO-WYMLVPIESA-N 0 3 233.355 3.058 20 0 BGADHN Cc1ccc([C@@H](C)NCCCc2ccccn2)o1 ZINC000181486595 385580391 /nfs/dbraw/zinc/58/03/91/385580391.db2.gz MKNVNGPMZHURBJ-CYBMUJFWSA-N 0 3 244.338 3.266 20 0 BGADHN Cc1ccc([C@H](C)NCCCc2ccccn2)o1 ZINC000181486618 385580096 /nfs/dbraw/zinc/58/00/96/385580096.db2.gz MKNVNGPMZHURBJ-ZDUSSCGKSA-N 0 3 244.338 3.266 20 0 BGADHN CCOCCN(C)Cc1cc2ccccc2s1 ZINC000181487895 134337000 /nfs/dbraw/zinc/33/70/00/134337000.db2.gz RPUKMQFKVNVMEI-UHFFFAOYSA-N 0 3 249.379 3.370 20 0 BGADHN CCOCCN(C)Cc1c(C)oc2ccccc21 ZINC000181487997 134337010 /nfs/dbraw/zinc/33/70/10/134337010.db2.gz XUKPJODJEFFYPF-UHFFFAOYSA-N 0 3 247.338 3.210 20 0 BGADHN CCNC(C)(C)c1ccccc1Br ZINC000181514063 397810751 /nfs/dbraw/zinc/81/07/51/397810751.db2.gz TUAREJJQWMFBIU-UHFFFAOYSA-N 0 3 242.160 3.294 20 0 BGADHN CC(C)c1ccc([C@@H](C)N2CCC(O)CC2)cc1 ZINC000181536842 385583352 /nfs/dbraw/zinc/58/33/52/385583352.db2.gz UDCUVTXSBZOQGW-CYBMUJFWSA-N 0 3 247.382 3.328 20 0 BGADHN CC(C)c1ccc([C@H](C)N2CCC(O)CC2)cc1 ZINC000181536861 385583142 /nfs/dbraw/zinc/58/31/42/385583142.db2.gz UDCUVTXSBZOQGW-ZDUSSCGKSA-N 0 3 247.382 3.328 20 0 BGADHN Cc1ccccc1[C@@H](C)NC/C=C/Cl ZINC000181562181 179319615 /nfs/dbraw/zinc/31/96/15/179319615.db2.gz NPQKSTHRBGKVQA-AYLMVEPYSA-N 0 3 209.720 3.398 20 0 BGADHN Cc1ccccc1[C@H](C)NC/C=C/Cl ZINC000181562198 179337663 /nfs/dbraw/zinc/33/76/63/179337663.db2.gz NPQKSTHRBGKVQA-BWNDKRECSA-N 0 3 209.720 3.398 20 0 BGADHN CC(C)=CCN[C@H](C)c1cccc(O)c1 ZINC000181576342 397810654 /nfs/dbraw/zinc/81/06/54/397810654.db2.gz YDPWTRPHVUITSW-LLVKDONJSA-N 0 3 205.301 3.009 20 0 BGADHN C[C@H](N[C@H]1C=CCCC1)c1cccc(O)c1 ZINC000181579072 385409254 /nfs/dbraw/zinc/40/92/54/385409254.db2.gz PVFFRNCFAAPQMU-AAEUAGOBSA-N 0 3 217.312 3.152 20 0 BGADHN C[C@@H](N[C@H]1C=CCCC1)c1cccc(O)c1 ZINC000181579088 385409624 /nfs/dbraw/zinc/40/96/24/385409624.db2.gz PVFFRNCFAAPQMU-YPMHNXCESA-N 0 3 217.312 3.152 20 0 BGADHN C[C@H](N[C@@H]1C=CCCC1)c1cccc(O)c1 ZINC000181579103 385410649 /nfs/dbraw/zinc/41/06/49/385410649.db2.gz PVFFRNCFAAPQMU-WCQYABFASA-N 0 3 217.312 3.152 20 0 BGADHN C[C@@H](N[C@@H]1C=CCCC1)c1cccc(O)c1 ZINC000181579117 385409393 /nfs/dbraw/zinc/40/93/93/385409393.db2.gz PVFFRNCFAAPQMU-DGCLKSJQSA-N 0 3 217.312 3.152 20 0 BGADHN CCSCCN[C@@H](C)c1ccc(F)cc1F ZINC000181595045 385409058 /nfs/dbraw/zinc/40/90/58/385409058.db2.gz GTYCANWHWIXHCC-VIFPVBQESA-N 0 3 245.338 3.369 20 0 BGADHN CCSCCN[C@H](C)c1ccc(F)cc1F ZINC000181595059 170638235 /nfs/dbraw/zinc/63/82/35/170638235.db2.gz GTYCANWHWIXHCC-SECBINFHSA-N 0 3 245.338 3.369 20 0 BGADHN CCCCN[C@@H](c1nc(C)cs1)C1CC1 ZINC000181599234 385410192 /nfs/dbraw/zinc/41/01/92/385410192.db2.gz LNPVBISIJLWCCZ-LLVKDONJSA-N 0 3 224.373 3.292 20 0 BGADHN CCCCN[C@H](c1nc(C)cs1)C1CC1 ZINC000181599252 385410084 /nfs/dbraw/zinc/41/00/84/385410084.db2.gz LNPVBISIJLWCCZ-NSHDSACASA-N 0 3 224.373 3.292 20 0 BGADHN CCc1ccc(CNCCCCOC(C)C)o1 ZINC000181603680 171805202 /nfs/dbraw/zinc/80/52/02/171805202.db2.gz DOXXPXBJYXDZSM-UHFFFAOYSA-N 0 3 239.359 3.137 20 0 BGADHN CCOCCC1(CN[C@@H](C)c2ccoc2)CC1 ZINC000181606909 366832524 /nfs/dbraw/zinc/83/25/24/366832524.db2.gz BVEPRGVDIMLIMS-LBPRGKRZSA-N 0 3 237.343 3.137 20 0 BGADHN CCOCCC1(CN[C@H](C)c2ccoc2)CC1 ZINC000181606927 366832135 /nfs/dbraw/zinc/83/21/35/366832135.db2.gz BVEPRGVDIMLIMS-GFCCVEGCSA-N 0 3 237.343 3.137 20 0 BGADHN Cc1noc(C)c1[C@@H](C)CN[C@@H](C)c1ccoc1 ZINC000181628451 366834776 /nfs/dbraw/zinc/83/47/76/366834776.db2.gz BESGBOOSXOFPGR-UWVGGRQHSA-N 0 3 248.326 3.339 20 0 BGADHN Cc1noc(C)c1[C@H](C)CN[C@@H](C)c1ccoc1 ZINC000181628472 366835471 /nfs/dbraw/zinc/83/54/71/366835471.db2.gz BESGBOOSXOFPGR-ZJUUUORDSA-N 0 3 248.326 3.339 20 0 BGADHN Cc1noc(C)c1[C@@H](C)CN[C@H](C)c1ccoc1 ZINC000181628492 366835079 /nfs/dbraw/zinc/83/50/79/366835079.db2.gz BESGBOOSXOFPGR-VHSXEESVSA-N 0 3 248.326 3.339 20 0 BGADHN Cc1noc(C)c1[C@H](C)CN[C@H](C)c1ccoc1 ZINC000181628507 366835037 /nfs/dbraw/zinc/83/50/37/366835037.db2.gz BESGBOOSXOFPGR-NXEZZACHSA-N 0 3 248.326 3.339 20 0 BGADHN Cc1ccc(CN(C)Cc2ccncc2)c(C)c1 ZINC000181644699 385590681 /nfs/dbraw/zinc/59/06/81/385590681.db2.gz CDDGWKKFJKZIHL-UHFFFAOYSA-N 0 3 240.350 3.330 20 0 BGADHN CCC[C@H](NCCOC)c1ccc(F)cc1F ZINC000181664682 366837430 /nfs/dbraw/zinc/83/74/30/366837430.db2.gz PCEUYINUQUPJIM-ZDUSSCGKSA-N 0 3 243.297 3.042 20 0 BGADHN CCC[C@@H](NCCOC)c1ccc(F)cc1F ZINC000181664704 366838576 /nfs/dbraw/zinc/83/85/76/366838576.db2.gz PCEUYINUQUPJIM-CYBMUJFWSA-N 0 3 243.297 3.042 20 0 BGADHN CC(C)N[C@@H](c1ccccc1)c1cccnc1 ZINC000181681285 134338531 /nfs/dbraw/zinc/33/85/31/134338531.db2.gz SAEYCDRPWFFUBS-HNNXBMFYSA-N 0 3 226.323 3.169 20 0 BGADHN CC(C)N[C@H](c1ccccc1)c1cccnc1 ZINC000181681306 134338737 /nfs/dbraw/zinc/33/87/37/134338737.db2.gz SAEYCDRPWFFUBS-OAHLLOKOSA-N 0 3 226.323 3.169 20 0 BGADHN COC[C@H](N[C@H]1C=CCCC1)c1ccccc1 ZINC000181701120 366840280 /nfs/dbraw/zinc/84/02/80/366840280.db2.gz MJBVZIYGCNZQQE-GJZGRUSLSA-N 0 3 231.339 3.072 20 0 BGADHN COC[C@@H](N[C@H]1C=CCCC1)c1ccccc1 ZINC000181701144 366839930 /nfs/dbraw/zinc/83/99/30/366839930.db2.gz MJBVZIYGCNZQQE-LSDHHAIUSA-N 0 3 231.339 3.072 20 0 BGADHN COC[C@H](N[C@@H]1C=CCCC1)c1ccccc1 ZINC000181701162 366840257 /nfs/dbraw/zinc/84/02/57/366840257.db2.gz MJBVZIYGCNZQQE-CABCVRRESA-N 0 3 231.339 3.072 20 0 BGADHN COC[C@@H](N[C@@H]1C=CCCC1)c1ccccc1 ZINC000181701184 366840252 /nfs/dbraw/zinc/84/02/52/366840252.db2.gz MJBVZIYGCNZQQE-HUUCEWRRSA-N 0 3 231.339 3.072 20 0 BGADHN Cc1oncc1CN1CCC[C@@]2(CC=CCC2)C1 ZINC000181705418 134338788 /nfs/dbraw/zinc/33/87/88/134338788.db2.gz RQQSXFAJRTWDJO-HNNXBMFYSA-N 0 3 246.354 3.305 20 0 BGADHN Cc1oncc1CN1CCC[C@]2(CC=CCC2)C1 ZINC000181705436 134338673 /nfs/dbraw/zinc/33/86/73/134338673.db2.gz RQQSXFAJRTWDJO-OAHLLOKOSA-N 0 3 246.354 3.305 20 0 BGADHN Cc1oncc1CN1CCC2(C1)CCCCC2 ZINC000181718650 134338542 /nfs/dbraw/zinc/33/85/42/134338542.db2.gz SOJVJOQTACUZAH-UHFFFAOYSA-N 0 3 234.343 3.139 20 0 BGADHN COCCCN[C@@H](C)c1c(F)cccc1Cl ZINC000181742799 174249344 /nfs/dbraw/zinc/24/93/44/174249344.db2.gz XYFPPOAHIFNAQI-VIFPVBQESA-N 0 3 245.725 3.166 20 0 BGADHN COCCCN[C@H](C)c1c(F)cccc1Cl ZINC000181742819 174249970 /nfs/dbraw/zinc/24/99/70/174249970.db2.gz XYFPPOAHIFNAQI-SECBINFHSA-N 0 3 245.725 3.166 20 0 BGADHN C[C@H](NCCCF)c1c(F)cccc1Cl ZINC000181758467 385415633 /nfs/dbraw/zinc/41/56/33/385415633.db2.gz JIMHNAYFIPOEIT-QMMMGPOBSA-N 0 3 233.689 3.489 20 0 BGADHN C[C@@H](NCCCF)c1c(F)cccc1Cl ZINC000181758483 385415035 /nfs/dbraw/zinc/41/50/35/385415035.db2.gz JIMHNAYFIPOEIT-MRVPVSSYSA-N 0 3 233.689 3.489 20 0 BGADHN CC(C)Cn1cc(CNCCC2=CCCC2)cn1 ZINC000181810910 188345093 /nfs/dbraw/zinc/34/50/93/188345093.db2.gz MNHXRFQEJUUBHM-UHFFFAOYSA-N 0 3 247.386 3.129 20 0 BGADHN CCCN[C@@H](CC(=O)OC(C)C)c1ccccc1 ZINC000181828170 169277386 /nfs/dbraw/zinc/27/73/86/169277386.db2.gz AHGWVGCJIWAWIX-AWEZNQCLSA-N 0 3 249.354 3.069 20 0 BGADHN CCCN[C@H](CC(=O)OC(C)C)c1ccccc1 ZINC000181828190 169288310 /nfs/dbraw/zinc/28/83/10/169288310.db2.gz AHGWVGCJIWAWIX-CQSZACIVSA-N 0 3 249.354 3.069 20 0 BGADHN Cc1cncc(CN[C@@H]2CCc3ccccc32)c1 ZINC000181829953 366849874 /nfs/dbraw/zinc/84/98/74/366849874.db2.gz BXRJKZSWGKRROA-MRXNPFEDSA-N 0 3 238.334 3.167 20 0 BGADHN Cc1cncc(CN[C@H]2CCc3ccccc32)c1 ZINC000181829973 366850276 /nfs/dbraw/zinc/85/02/76/366850276.db2.gz BXRJKZSWGKRROA-INIZCTEOSA-N 0 3 238.334 3.167 20 0 BGADHN CC[C@H](NC/C=C/Cl)c1ccc(OC)cc1 ZINC000181837805 397814569 /nfs/dbraw/zinc/81/45/69/397814569.db2.gz MXUIAOYGJRELAW-FAFAAHBOSA-N 0 3 239.746 3.488 20 0 BGADHN CC[C@@H](NC/C=C/Cl)c1ccc(OC)cc1 ZINC000181837825 397814578 /nfs/dbraw/zinc/81/45/78/397814578.db2.gz MXUIAOYGJRELAW-QGQQYVBWSA-N 0 3 239.746 3.488 20 0 BGADHN Cc1cncc(CN[C@@H](C)c2cccs2)c1 ZINC000181842115 385611466 /nfs/dbraw/zinc/61/14/66/385611466.db2.gz FTWPVPXGZSKLIR-NSHDSACASA-N 0 3 232.352 3.302 20 0 BGADHN Cc1cncc(CN[C@H](C)c2cccs2)c1 ZINC000181842135 385611319 /nfs/dbraw/zinc/61/13/19/385611319.db2.gz FTWPVPXGZSKLIR-LLVKDONJSA-N 0 3 232.352 3.302 20 0 BGADHN C[C@H](NCCC1CC1)c1cccc(F)c1F ZINC000181967126 397822851 /nfs/dbraw/zinc/82/28/51/397822851.db2.gz JLCFTBAXNUQMCA-VIFPVBQESA-N 0 3 225.282 3.416 20 0 BGADHN C[C@@H](NCCC1CC1)c1cccc(F)c1F ZINC000181967147 397822715 /nfs/dbraw/zinc/82/27/15/397822715.db2.gz JLCFTBAXNUQMCA-SECBINFHSA-N 0 3 225.282 3.416 20 0 BGADHN CSCCCN[C@@H](C)c1cccc(F)c1F ZINC000181987181 385626113 /nfs/dbraw/zinc/62/61/13/385626113.db2.gz HJZWUWYOMJTJIR-VIFPVBQESA-N 0 3 245.338 3.369 20 0 BGADHN CSCCCN[C@H](C)c1cccc(F)c1F ZINC000181987196 175487436 /nfs/dbraw/zinc/48/74/36/175487436.db2.gz HJZWUWYOMJTJIR-SECBINFHSA-N 0 3 245.338 3.369 20 0 BGADHN CO[C@@H](C)CN(C)[C@@H](C)c1cc2ccccc2o1 ZINC000181998162 134340988 /nfs/dbraw/zinc/34/09/88/134340988.db2.gz BLEMPNOXGBHAAJ-RYUDHWBXSA-N 0 3 247.338 3.461 20 0 BGADHN CO[C@H](C)CN(C)[C@@H](C)c1cc2ccccc2o1 ZINC000181998176 134341082 /nfs/dbraw/zinc/34/10/82/134341082.db2.gz BLEMPNOXGBHAAJ-NEPJUHHUSA-N 0 3 247.338 3.461 20 0 BGADHN COCCCCN[C@@H](C)c1cccc(F)c1F ZINC000181999617 174201566 /nfs/dbraw/zinc/20/15/66/174201566.db2.gz ISBDNXMMFVCCLR-JTQLQIEISA-N 0 3 243.297 3.042 20 0 BGADHN COCCCCN[C@H](C)c1cccc(F)c1F ZINC000181999637 174203669 /nfs/dbraw/zinc/20/36/69/174203669.db2.gz ISBDNXMMFVCCLR-SNVBAGLBSA-N 0 3 243.297 3.042 20 0 BGADHN CCSCCN[C@@H](C)c1cccc(F)c1F ZINC000181999708 387936922 /nfs/dbraw/zinc/93/69/22/387936922.db2.gz OKHQTICHZOKSSA-VIFPVBQESA-N 0 3 245.338 3.369 20 0 BGADHN CCSCCN[C@H](C)c1cccc(F)c1F ZINC000181999730 385427245 /nfs/dbraw/zinc/42/72/45/385427245.db2.gz OKHQTICHZOKSSA-SECBINFHSA-N 0 3 245.338 3.369 20 0 BGADHN CCOCCCN[C@@H](C)c1cccc(F)c1F ZINC000181999958 170381453 /nfs/dbraw/zinc/38/14/53/170381453.db2.gz IRFMSHMXRJGQDI-JTQLQIEISA-N 0 3 243.297 3.042 20 0 BGADHN CCOCCCN[C@H](C)c1cccc(F)c1F ZINC000181999975 170383056 /nfs/dbraw/zinc/38/30/56/170383056.db2.gz IRFMSHMXRJGQDI-SNVBAGLBSA-N 0 3 243.297 3.042 20 0 BGADHN CCN(Cc1ccc(Cl)s1)C[C@@H](C)OC ZINC000182007250 347081090 /nfs/dbraw/zinc/08/10/90/347081090.db2.gz JCKAPFYKUJALMQ-SECBINFHSA-N 0 3 247.791 3.258 20 0 BGADHN CCN(Cc1ccc(Cl)s1)C[C@H](C)OC ZINC000182007273 347081172 /nfs/dbraw/zinc/08/11/72/347081172.db2.gz JCKAPFYKUJALMQ-VIFPVBQESA-N 0 3 247.791 3.258 20 0 BGADHN CO[C@@H](C)CN(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000182018846 134341310 /nfs/dbraw/zinc/34/13/10/134341310.db2.gz YIEUFDSZCDKIOC-QWRGUYRKSA-N 0 3 241.762 3.368 20 0 BGADHN CO[C@H](C)CN(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000182018864 134341750 /nfs/dbraw/zinc/34/17/50/134341750.db2.gz YIEUFDSZCDKIOC-MNOVXSKESA-N 0 3 241.762 3.368 20 0 BGADHN CC(C)N(CCC(=O)c1ccccc1)C1CC1 ZINC000182042927 188345333 /nfs/dbraw/zinc/34/53/33/188345333.db2.gz GNSIVQGJMFHBRL-UHFFFAOYSA-N 0 3 231.339 3.132 20 0 BGADHN CC(C)N(CCC(=O)c1ccc(F)cc1)C1CC1 ZINC000182043016 385630778 /nfs/dbraw/zinc/63/07/78/385630778.db2.gz DRYHYRBJIRPRHN-UHFFFAOYSA-N 0 3 249.329 3.271 20 0 BGADHN CO[C@H](C)CN(C)Cc1ccc(C(C)C)cc1 ZINC000182043504 346979462 /nfs/dbraw/zinc/97/94/62/346979462.db2.gz RDTQXIGVDSREJH-CYBMUJFWSA-N 0 3 235.371 3.277 20 0 BGADHN CO[C@@H](C)CN(C)Cc1ccc(C(C)C)cc1 ZINC000182043528 346979817 /nfs/dbraw/zinc/97/98/17/346979817.db2.gz RDTQXIGVDSREJH-ZDUSSCGKSA-N 0 3 235.371 3.277 20 0 BGADHN C[C@H](CNCc1ccco1)Cc1ccccc1 ZINC000182049434 366861896 /nfs/dbraw/zinc/86/18/96/366861896.db2.gz OYYVPWGWTUSHOC-ZDUSSCGKSA-N 0 3 229.323 3.248 20 0 BGADHN C[C@@H](CNCc1ccco1)Cc1ccccc1 ZINC000182049448 366862145 /nfs/dbraw/zinc/86/21/45/366862145.db2.gz OYYVPWGWTUSHOC-CYBMUJFWSA-N 0 3 229.323 3.248 20 0 BGADHN CO[C@@H](C)CN(C)Cc1csc2ccccc12 ZINC000182057427 134341432 /nfs/dbraw/zinc/34/14/32/134341432.db2.gz BWXHFQDFGOARRC-NSHDSACASA-N 0 3 249.379 3.368 20 0 BGADHN CO[C@H](C)CN(C)Cc1csc2ccccc12 ZINC000182057442 134341694 /nfs/dbraw/zinc/34/16/94/134341694.db2.gz BWXHFQDFGOARRC-LLVKDONJSA-N 0 3 249.379 3.368 20 0 BGADHN CCCC[C@@H]1CCC[C@@H]1NCc1cocn1 ZINC000182061237 385428365 /nfs/dbraw/zinc/42/83/65/385428365.db2.gz OVONBVAKIACJIM-YPMHNXCESA-N 0 3 222.332 3.123 20 0 BGADHN CCCC[C@H]1CCC[C@@H]1NCc1cocn1 ZINC000182061258 385428912 /nfs/dbraw/zinc/42/89/12/385428912.db2.gz OVONBVAKIACJIM-AAEUAGOBSA-N 0 3 222.332 3.123 20 0 BGADHN CCCC[C@@H]1CCC[C@H]1NCc1cocn1 ZINC000182061282 385428240 /nfs/dbraw/zinc/42/82/40/385428240.db2.gz OVONBVAKIACJIM-DGCLKSJQSA-N 0 3 222.332 3.123 20 0 BGADHN CCCC[C@H]1CCC[C@H]1NCc1cocn1 ZINC000182061300 385428442 /nfs/dbraw/zinc/42/84/42/385428442.db2.gz OVONBVAKIACJIM-WCQYABFASA-N 0 3 222.332 3.123 20 0 BGADHN CCC[C@@H](Cc1ccccc1)NCc1cocn1 ZINC000182061480 169386585 /nfs/dbraw/zinc/38/65/85/169386585.db2.gz VZBCXAUKVAQQIM-AWEZNQCLSA-N 0 3 244.338 3.176 20 0 BGADHN CCC[C@H](Cc1ccccc1)NCc1cocn1 ZINC000182061500 385633483 /nfs/dbraw/zinc/63/34/83/385633483.db2.gz VZBCXAUKVAQQIM-CQSZACIVSA-N 0 3 244.338 3.176 20 0 BGADHN CC[C@@H]1c2ccsc2CCN1C[C@@H](C)OC ZINC000182062331 171162571 /nfs/dbraw/zinc/16/25/71/171162571.db2.gz ITUJDPMIVOHMDC-ZYHUDNBSSA-N 0 3 239.384 3.092 20 0 BGADHN CC[C@H]1c2ccsc2CCN1C[C@@H](C)OC ZINC000182062348 385633153 /nfs/dbraw/zinc/63/31/53/385633153.db2.gz ITUJDPMIVOHMDC-PWSUYJOCSA-N 0 3 239.384 3.092 20 0 BGADHN CCN(Cc1cccc(Cl)c1)C[C@@H](C)OC ZINC000182062664 134341483 /nfs/dbraw/zinc/34/14/83/134341483.db2.gz FQVPJQQLYJVLDF-LLVKDONJSA-N 0 3 241.762 3.197 20 0 BGADHN CCN(Cc1cccc(Cl)c1)C[C@H](C)OC ZINC000182062681 134341468 /nfs/dbraw/zinc/34/14/68/134341468.db2.gz FQVPJQQLYJVLDF-NSHDSACASA-N 0 3 241.762 3.197 20 0 BGADHN CCCC[C@@H](CCC)NCc1cocn1 ZINC000182063320 346784905 /nfs/dbraw/zinc/78/49/05/346784905.db2.gz DCPKWDVMQROMIE-LLVKDONJSA-N 0 3 210.321 3.123 20 0 BGADHN CCCC[C@H](CCC)NCc1cocn1 ZINC000182063336 169001178 /nfs/dbraw/zinc/00/11/78/169001178.db2.gz DCPKWDVMQROMIE-NSHDSACASA-N 0 3 210.321 3.123 20 0 BGADHN CC(C)CC[C@@H]1CCC[C@@H]1NCc1cocn1 ZINC000182066995 366863434 /nfs/dbraw/zinc/86/34/34/366863434.db2.gz QUPBGGUEDWCQSY-JSGCOSHPSA-N 0 3 236.359 3.369 20 0 BGADHN CC(C)CC[C@H]1CCC[C@@H]1NCc1cocn1 ZINC000182067012 366863334 /nfs/dbraw/zinc/86/33/34/366863334.db2.gz QUPBGGUEDWCQSY-OCCSQVGLSA-N 0 3 236.359 3.369 20 0 BGADHN CC(C)CC[C@@H]1CCC[C@H]1NCc1cocn1 ZINC000182067023 366863180 /nfs/dbraw/zinc/86/31/80/366863180.db2.gz QUPBGGUEDWCQSY-GXTWGEPZSA-N 0 3 236.359 3.369 20 0 BGADHN CC(C)CC[C@H]1CCC[C@H]1NCc1cocn1 ZINC000182067041 366863201 /nfs/dbraw/zinc/86/32/01/366863201.db2.gz QUPBGGUEDWCQSY-TZMCWYRMSA-N 0 3 236.359 3.369 20 0 BGADHN CO[C@@H](C)CN(Cc1ccco1)C1CCCC1 ZINC000182069439 385632727 /nfs/dbraw/zinc/63/27/27/385632727.db2.gz UBQBZLGMJYZJBG-LBPRGKRZSA-N 0 3 237.343 3.059 20 0 BGADHN CO[C@H](C)CN(Cc1ccco1)C1CCCC1 ZINC000182069452 385633809 /nfs/dbraw/zinc/63/38/09/385633809.db2.gz UBQBZLGMJYZJBG-GFCCVEGCSA-N 0 3 237.343 3.059 20 0 BGADHN C[C@@H](NCc1cocn1)[C@@H](C)C1CCCCC1 ZINC000182070423 366864780 /nfs/dbraw/zinc/86/47/80/366864780.db2.gz IBFUQHLTMKWETP-VXGBXAGGSA-N 0 3 236.359 3.369 20 0 BGADHN C[C@@H](NCc1cocn1)[C@H](C)C1CCCCC1 ZINC000182070441 366864817 /nfs/dbraw/zinc/86/48/17/366864817.db2.gz IBFUQHLTMKWETP-NWDGAFQWSA-N 0 3 236.359 3.369 20 0 BGADHN C[C@H](NCc1cocn1)[C@@H](C)C1CCCCC1 ZINC000182070455 366864615 /nfs/dbraw/zinc/86/46/15/366864615.db2.gz IBFUQHLTMKWETP-NEPJUHHUSA-N 0 3 236.359 3.369 20 0 BGADHN C[C@@H]([C@H](C)NCc1cocn1)C1CCCCC1 ZINC000182070471 366864574 /nfs/dbraw/zinc/86/45/74/366864574.db2.gz IBFUQHLTMKWETP-RYUDHWBXSA-N 0 3 236.359 3.369 20 0 BGADHN CO[C@@H](C)CN(C)[C@@H](C)c1cccc(Cl)c1 ZINC000182071566 134341407 /nfs/dbraw/zinc/34/14/07/134341407.db2.gz FINGEUYQRLGWDA-QWRGUYRKSA-N 0 3 241.762 3.368 20 0 BGADHN CO[C@H](C)CN(C)[C@@H](C)c1cccc(Cl)c1 ZINC000182071584 134341463 /nfs/dbraw/zinc/34/14/63/134341463.db2.gz FINGEUYQRLGWDA-MNOVXSKESA-N 0 3 241.762 3.368 20 0 BGADHN CC(C)[C@H]1CC[C@@H](C)C[C@H]1NCc1cocn1 ZINC000182076503 366864630 /nfs/dbraw/zinc/86/46/30/366864630.db2.gz HCOSZQNYNXEAMS-MRVWCRGKSA-N 0 3 236.359 3.225 20 0 BGADHN CC(C)(C)[C@@H]1CCCC[C@@H]1NCc1cocn1 ZINC000182076597 366864746 /nfs/dbraw/zinc/86/47/46/366864746.db2.gz SWQGVIAMRYPMTG-OLZOCXBDSA-N 0 3 236.359 3.369 20 0 BGADHN CC(C)(C)[C@H]1CCCC[C@@H]1NCc1cocn1 ZINC000182076618 366864505 /nfs/dbraw/zinc/86/45/05/366864505.db2.gz SWQGVIAMRYPMTG-STQMWFEESA-N 0 3 236.359 3.369 20 0 BGADHN CC(C)(C)[C@@H]1CCCC[C@H]1NCc1cocn1 ZINC000182076641 366864903 /nfs/dbraw/zinc/86/49/03/366864903.db2.gz SWQGVIAMRYPMTG-CHWSQXEVSA-N 0 3 236.359 3.369 20 0 BGADHN CC(C)(C)[C@H]1CCCC[C@H]1NCc1cocn1 ZINC000182076660 366864653 /nfs/dbraw/zinc/86/46/53/366864653.db2.gz SWQGVIAMRYPMTG-QWHCGFSZSA-N 0 3 236.359 3.369 20 0 BGADHN Cc1ccc(CCCSCCN(C)C)cc1 ZINC000182078870 347082842 /nfs/dbraw/zinc/08/28/42/347082842.db2.gz IYNNGDCTZMHYSF-UHFFFAOYSA-N 0 3 237.412 3.222 20 0 BGADHN C[C@H](NCc1ccc(Cl)cn1)C1CCC1 ZINC000182126874 385431318 /nfs/dbraw/zinc/43/13/18/385431318.db2.gz ODDYYUAQHFSJLH-VIFPVBQESA-N 0 3 224.735 3.013 20 0 BGADHN C[C@@H](NCc1ccc(Cl)cn1)C1CCC1 ZINC000182126896 385430854 /nfs/dbraw/zinc/43/08/54/385430854.db2.gz ODDYYUAQHFSJLH-SECBINFHSA-N 0 3 224.735 3.013 20 0 BGADHN CC[C@H](NCCC1=CCCCC1)c1nccn1C ZINC000182177006 366873395 /nfs/dbraw/zinc/87/33/95/366873395.db2.gz YWEOBDIECQIOFZ-AWEZNQCLSA-N 0 3 247.386 3.351 20 0 BGADHN CC[C@@H](NCCC1=CCCCC1)c1nccn1C ZINC000182177026 366873453 /nfs/dbraw/zinc/87/34/53/366873453.db2.gz YWEOBDIECQIOFZ-CQSZACIVSA-N 0 3 247.386 3.351 20 0 BGADHN CCCCN[C@@H](COC)c1ccc(F)c(F)c1 ZINC000182185679 385642524 /nfs/dbraw/zinc/64/25/24/385642524.db2.gz VXDVCGAGNIRILN-ZDUSSCGKSA-N 0 3 243.297 3.042 20 0 BGADHN CCCCN[C@H](COC)c1ccc(F)c(F)c1 ZINC000182185696 385643170 /nfs/dbraw/zinc/64/31/70/385643170.db2.gz VXDVCGAGNIRILN-CYBMUJFWSA-N 0 3 243.297 3.042 20 0 BGADHN CC(C)=CCN[C@@H](C)c1ccccc1F ZINC000182188470 385434259 /nfs/dbraw/zinc/43/42/59/385434259.db2.gz DJSAGTRIEHHHMY-NSHDSACASA-N 0 3 207.292 3.443 20 0 BGADHN CC(C)=CCN[C@H](C)c1ccccc1F ZINC000182188490 385434705 /nfs/dbraw/zinc/43/47/05/385434705.db2.gz DJSAGTRIEHHHMY-LLVKDONJSA-N 0 3 207.292 3.443 20 0 BGADHN CC(C)=CCN[C@@H](C)c1cccc(F)c1 ZINC000182188514 385434135 /nfs/dbraw/zinc/43/41/35/385434135.db2.gz BUWOIRLXHXKDPY-NSHDSACASA-N 0 3 207.292 3.443 20 0 BGADHN CC(C)=CCN[C@H](C)c1cccc(F)c1 ZINC000182188530 385433204 /nfs/dbraw/zinc/43/32/04/385433204.db2.gz BUWOIRLXHXKDPY-LLVKDONJSA-N 0 3 207.292 3.443 20 0 BGADHN CO[C@H](C)CN1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000182205820 385644689 /nfs/dbraw/zinc/64/46/89/385644689.db2.gz XBDAFWKGPIAGAX-UPJWGTAASA-N 0 3 237.343 3.088 20 0 BGADHN CO[C@H](C)CN1CC[C@H](C)C[C@H]1c1ccco1 ZINC000182205840 385644680 /nfs/dbraw/zinc/64/46/80/385644680.db2.gz XBDAFWKGPIAGAX-XQQFMLRXSA-N 0 3 237.343 3.088 20 0 BGADHN CC[C@H](NCCCC1CCCC1)c1nccn1C ZINC000182265168 366878971 /nfs/dbraw/zinc/87/89/71/366878971.db2.gz NOBSRXLWXUITSQ-AWEZNQCLSA-N 0 3 249.402 3.431 20 0 BGADHN CC[C@@H](NCCCC1CCCC1)c1nccn1C ZINC000182265182 366879327 /nfs/dbraw/zinc/87/93/27/366879327.db2.gz NOBSRXLWXUITSQ-CQSZACIVSA-N 0 3 249.402 3.431 20 0 BGADHN C[C@H](NCCCC1CCCC1)c1nccn1C ZINC000182265238 385436106 /nfs/dbraw/zinc/43/61/06/385436106.db2.gz LSCURFDWUKIPHO-LBPRGKRZSA-N 0 3 235.375 3.041 20 0 BGADHN C[C@@H](NCCCC1CCCC1)c1nccn1C ZINC000182265259 385435526 /nfs/dbraw/zinc/43/55/26/385435526.db2.gz LSCURFDWUKIPHO-GFCCVEGCSA-N 0 3 235.375 3.041 20 0 BGADHN CC[C@H](NCCC1CCCC1)c1nccn1C ZINC000182266842 366879548 /nfs/dbraw/zinc/87/95/48/366879548.db2.gz DMBWJHYXDRIOJJ-ZDUSSCGKSA-N 0 3 235.375 3.041 20 0 BGADHN CC[C@@H](NCCC1CCCC1)c1nccn1C ZINC000182266863 366879488 /nfs/dbraw/zinc/87/94/88/366879488.db2.gz DMBWJHYXDRIOJJ-CYBMUJFWSA-N 0 3 235.375 3.041 20 0 BGADHN CO[C@@H](C)CNC(C)(C)c1ccc(Cl)cc1 ZINC000182331466 385437033 /nfs/dbraw/zinc/43/70/33/385437033.db2.gz AHKNMNGHRIHEDY-JTQLQIEISA-N 0 3 241.762 3.200 20 0 BGADHN CO[C@H](C)CNC(C)(C)c1ccc(Cl)cc1 ZINC000182331487 385438095 /nfs/dbraw/zinc/43/80/95/385438095.db2.gz AHKNMNGHRIHEDY-SNVBAGLBSA-N 0 3 241.762 3.200 20 0 BGADHN Cc1ccc([C@@H](C)NC/C=C/Cl)cc1 ZINC000182347094 385440032 /nfs/dbraw/zinc/44/00/32/385440032.db2.gz KIFDWPDUTHYVNQ-TXGYYHNKSA-N 0 3 209.720 3.398 20 0 BGADHN Cc1ccc([C@H](C)NC/C=C/Cl)cc1 ZINC000182347109 385439190 /nfs/dbraw/zinc/43/91/90/385439190.db2.gz KIFDWPDUTHYVNQ-AEBAWRHJSA-N 0 3 209.720 3.398 20 0 BGADHN Cc1cccc(CCCSCCN(C)C)c1 ZINC000182367997 366892375 /nfs/dbraw/zinc/89/23/75/366892375.db2.gz IMPRKKJIOAVNBN-UHFFFAOYSA-N 0 3 237.412 3.222 20 0 BGADHN C[C@H](NCCCC1CCCCC1)c1nccn1C ZINC000182391115 366896004 /nfs/dbraw/zinc/89/60/04/366896004.db2.gz BYIIQPPSALJLNT-ZDUSSCGKSA-N 0 3 249.402 3.431 20 0 BGADHN C[C@@H](NCCCC1CCCCC1)c1nccn1C ZINC000182391137 366895349 /nfs/dbraw/zinc/89/53/49/366895349.db2.gz BYIIQPPSALJLNT-CYBMUJFWSA-N 0 3 249.402 3.431 20 0 BGADHN CCCCN[C@@H](CC)c1c(C)noc1C ZINC000182393624 206011499 /nfs/dbraw/zinc/01/14/99/206011499.db2.gz XFTUIEXAWSOHGI-NSHDSACASA-N 0 3 210.321 3.132 20 0 BGADHN CCCCN[C@H](CC)c1c(C)noc1C ZINC000182393640 385443512 /nfs/dbraw/zinc/44/35/12/385443512.db2.gz XFTUIEXAWSOHGI-LLVKDONJSA-N 0 3 210.321 3.132 20 0 BGADHN CO[C@H](C)CN1CC=C(c2cccc(C)c2)CC1 ZINC000182397512 134344793 /nfs/dbraw/zinc/34/47/93/134344793.db2.gz XVCKLVLJSZOJFN-CQSZACIVSA-N 0 3 245.366 3.119 20 0 BGADHN CO[C@@H](C)CN1CC=C(c2cccc(C)c2)CC1 ZINC000182397529 134344835 /nfs/dbraw/zinc/34/48/35/134344835.db2.gz XVCKLVLJSZOJFN-AWEZNQCLSA-N 0 3 245.366 3.119 20 0 BGADHN C[C@@H]1CCN(CCC(=O)c2ccc(F)cc2)[C@@H]1C ZINC000182399068 366896936 /nfs/dbraw/zinc/89/69/36/366896936.db2.gz NTTMVJAROJTOFM-VXGBXAGGSA-N 0 3 249.329 3.129 20 0 BGADHN C[C@@H]1[C@@H](C)CCN1CCC(=O)c1ccc(F)cc1 ZINC000182399086 366897171 /nfs/dbraw/zinc/89/71/71/366897171.db2.gz NTTMVJAROJTOFM-NWDGAFQWSA-N 0 3 249.329 3.129 20 0 BGADHN COc1ccc([C@H](C)NCC=C(C)C)cc1 ZINC000182415815 175188240 /nfs/dbraw/zinc/18/82/40/175188240.db2.gz MWTFZQPNBOEWKG-LBPRGKRZSA-N 0 3 219.328 3.312 20 0 BGADHN COc1ccc([C@@H](C)NCC=C(C)C)cc1 ZINC000182415830 385666560 /nfs/dbraw/zinc/66/65/60/385666560.db2.gz MWTFZQPNBOEWKG-GFCCVEGCSA-N 0 3 219.328 3.312 20 0 BGADHN COc1cccc([C@H](C)NCC=C(C)C)c1 ZINC000182416016 175293601 /nfs/dbraw/zinc/29/36/01/175293601.db2.gz QRHHUXWBOVISAV-LBPRGKRZSA-N 0 3 219.328 3.312 20 0 BGADHN COc1cccc([C@@H](C)NCC=C(C)C)c1 ZINC000182416032 175286554 /nfs/dbraw/zinc/28/65/54/175286554.db2.gz QRHHUXWBOVISAV-GFCCVEGCSA-N 0 3 219.328 3.312 20 0 BGADHN CC[C@H](N[C@H]1C=CCCC1)c1c(C)noc1C ZINC000182420085 366900149 /nfs/dbraw/zinc/90/01/49/366900149.db2.gz PXMCKBPEIFYCMT-STQMWFEESA-N 0 3 234.343 3.441 20 0 BGADHN CC[C@@H](N[C@H]1C=CCCC1)c1c(C)noc1C ZINC000182420106 366899549 /nfs/dbraw/zinc/89/95/49/366899549.db2.gz PXMCKBPEIFYCMT-QWHCGFSZSA-N 0 3 234.343 3.441 20 0 BGADHN CC[C@H](N[C@@H]1C=CCCC1)c1c(C)noc1C ZINC000182420116 366900259 /nfs/dbraw/zinc/90/02/59/366900259.db2.gz PXMCKBPEIFYCMT-OLZOCXBDSA-N 0 3 234.343 3.441 20 0 BGADHN CC[C@@H](N[C@@H]1C=CCCC1)c1c(C)noc1C ZINC000182420135 366900137 /nfs/dbraw/zinc/90/01/37/366900137.db2.gz PXMCKBPEIFYCMT-CHWSQXEVSA-N 0 3 234.343 3.441 20 0 BGADHN CO[C@@H](C)CN[C@@H](C)c1ccc(SC)cc1 ZINC000182427531 385669895 /nfs/dbraw/zinc/66/98/95/385669895.db2.gz VPJZJISYWYAVRA-QWRGUYRKSA-N 0 3 239.384 3.094 20 0 BGADHN CO[C@H](C)CN[C@@H](C)c1ccc(SC)cc1 ZINC000182427548 385668820 /nfs/dbraw/zinc/66/88/20/385668820.db2.gz VPJZJISYWYAVRA-MNOVXSKESA-N 0 3 239.384 3.094 20 0 BGADHN CO[C@@H](C)CN[C@H](C)c1ccc(SC)cc1 ZINC000182427571 385669131 /nfs/dbraw/zinc/66/91/31/385669131.db2.gz VPJZJISYWYAVRA-WDEREUQCSA-N 0 3 239.384 3.094 20 0 BGADHN CO[C@H](C)CN[C@H](C)c1ccc(SC)cc1 ZINC000182427590 385670296 /nfs/dbraw/zinc/67/02/96/385670296.db2.gz VPJZJISYWYAVRA-GHMZBOCLSA-N 0 3 239.384 3.094 20 0 BGADHN CO[C@@H](C)CN[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000182429801 385669370 /nfs/dbraw/zinc/66/93/70/385669370.db2.gz KEOLBBYOSAXXER-IUCAKERBSA-N 0 3 245.725 3.165 20 0 BGADHN CO[C@H](C)CN[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000182429828 385668700 /nfs/dbraw/zinc/66/87/00/385668700.db2.gz KEOLBBYOSAXXER-BDAKNGLRSA-N 0 3 245.725 3.165 20 0 BGADHN CO[C@@H](C)CN[C@H](C)c1ccc(F)c(Cl)c1 ZINC000182429850 385670357 /nfs/dbraw/zinc/67/03/57/385670357.db2.gz KEOLBBYOSAXXER-DTWKUNHWSA-N 0 3 245.725 3.165 20 0 BGADHN CO[C@H](C)CN[C@H](C)c1ccc(F)c(Cl)c1 ZINC000182429870 385669262 /nfs/dbraw/zinc/66/92/62/385669262.db2.gz KEOLBBYOSAXXER-RKDXNWHRSA-N 0 3 245.725 3.165 20 0 BGADHN CC[C@H](NCCC(C)C)c1c(C)noc1C ZINC000182434500 385448077 /nfs/dbraw/zinc/44/80/77/385448077.db2.gz GUBZYYFIXJYBNY-LBPRGKRZSA-N 0 3 224.348 3.378 20 0 BGADHN CC[C@@H](NCCC(C)C)c1c(C)noc1C ZINC000182434516 385447577 /nfs/dbraw/zinc/44/75/77/385447577.db2.gz GUBZYYFIXJYBNY-GFCCVEGCSA-N 0 3 224.348 3.378 20 0 BGADHN CO[C@@H](C)CN[C@@H](C)c1ccc(F)cc1Cl ZINC000182437019 385670412 /nfs/dbraw/zinc/67/04/12/385670412.db2.gz DYZZHLYYMMHMPX-IUCAKERBSA-N 0 3 245.725 3.165 20 0 BGADHN CO[C@H](C)CN[C@@H](C)c1ccc(F)cc1Cl ZINC000182437035 385669302 /nfs/dbraw/zinc/66/93/02/385669302.db2.gz DYZZHLYYMMHMPX-BDAKNGLRSA-N 0 3 245.725 3.165 20 0 BGADHN CO[C@@H](C)CN[C@H](C)c1ccc(F)cc1Cl ZINC000182437056 385669595 /nfs/dbraw/zinc/66/95/95/385669595.db2.gz DYZZHLYYMMHMPX-DTWKUNHWSA-N 0 3 245.725 3.165 20 0 BGADHN CO[C@H](C)CN[C@H](C)c1ccc(F)cc1Cl ZINC000182437072 385670122 /nfs/dbraw/zinc/67/01/22/385670122.db2.gz DYZZHLYYMMHMPX-RKDXNWHRSA-N 0 3 245.725 3.165 20 0 BGADHN CO[C@@H](C)CNC(C)(C)c1cccc(Cl)c1 ZINC000182437384 385447441 /nfs/dbraw/zinc/44/74/41/385447441.db2.gz CDUQDBFQWBJKGH-JTQLQIEISA-N 0 3 241.762 3.200 20 0 BGADHN CO[C@H](C)CNC(C)(C)c1cccc(Cl)c1 ZINC000182437406 385447942 /nfs/dbraw/zinc/44/79/42/385447942.db2.gz CDUQDBFQWBJKGH-SNVBAGLBSA-N 0 3 241.762 3.200 20 0 BGADHN CC[C@H](NC[C@@H](C)OC)c1ccc(F)cc1F ZINC000182437474 385669234 /nfs/dbraw/zinc/66/92/34/385669234.db2.gz PKBGKNINFYOLHN-RNCFNFMXSA-N 0 3 243.297 3.040 20 0 BGADHN CC[C@@H](NC[C@@H](C)OC)c1ccc(F)cc1F ZINC000182437495 385668412 /nfs/dbraw/zinc/66/84/12/385668412.db2.gz PKBGKNINFYOLHN-NOZJJQNGSA-N 0 3 243.297 3.040 20 0 BGADHN CC[C@H](NC[C@H](C)OC)c1ccc(F)cc1F ZINC000182437518 385669778 /nfs/dbraw/zinc/66/97/78/385669778.db2.gz PKBGKNINFYOLHN-ZANVPECISA-N 0 3 243.297 3.040 20 0 BGADHN CC[C@@H](NC[C@H](C)OC)c1ccc(F)cc1F ZINC000182437535 385669751 /nfs/dbraw/zinc/66/97/51/385669751.db2.gz PKBGKNINFYOLHN-TVQRCGJNSA-N 0 3 243.297 3.040 20 0 BGADHN CC[C@H](NC[C@@H](C)OC)c1cc(F)ccc1F ZINC000182438556 385670305 /nfs/dbraw/zinc/67/03/05/385670305.db2.gz UARPSUHEWNDLSH-RNCFNFMXSA-N 0 3 243.297 3.040 20 0 BGADHN CC[C@@H](NC[C@@H](C)OC)c1cc(F)ccc1F ZINC000182438573 385670135 /nfs/dbraw/zinc/67/01/35/385670135.db2.gz UARPSUHEWNDLSH-NOZJJQNGSA-N 0 3 243.297 3.040 20 0 BGADHN CC[C@H](NC[C@H](C)OC)c1cc(F)ccc1F ZINC000182438596 385668362 /nfs/dbraw/zinc/66/83/62/385668362.db2.gz UARPSUHEWNDLSH-ZANVPECISA-N 0 3 243.297 3.040 20 0 BGADHN CC[C@@H](NC[C@H](C)OC)c1cc(F)ccc1F ZINC000182438616 347094698 /nfs/dbraw/zinc/09/46/98/347094698.db2.gz UARPSUHEWNDLSH-TVQRCGJNSA-N 0 3 243.297 3.040 20 0 BGADHN CC[C@H](NCC=C(C)C)c1c(C)noc1C ZINC000182454730 385447591 /nfs/dbraw/zinc/44/75/91/385447591.db2.gz HQPLEGWDQKGQRB-LBPRGKRZSA-N 0 3 222.332 3.298 20 0 BGADHN CC[C@@H](NCC=C(C)C)c1c(C)noc1C ZINC000182454747 385448281 /nfs/dbraw/zinc/44/82/81/385448281.db2.gz HQPLEGWDQKGQRB-GFCCVEGCSA-N 0 3 222.332 3.298 20 0 BGADHN C[C@@H]1CC[C@H](C)N1CCC(=O)c1ccc(F)cc1 ZINC000182455900 366903686 /nfs/dbraw/zinc/90/36/86/366903686.db2.gz GDUMVOZVQYXLHK-TXEJJXNPSA-N 0 3 249.329 3.271 20 0 BGADHN C[C@H]1CC[C@H](C)N1CCC(=O)c1ccc(F)cc1 ZINC000182455919 366903858 /nfs/dbraw/zinc/90/38/58/366903858.db2.gz GDUMVOZVQYXLHK-RYUDHWBXSA-N 0 3 249.329 3.271 20 0 BGADHN C[C@@H]1CC[C@@H](C)N1CCC(=O)c1ccc(F)cc1 ZINC000182455939 366904082 /nfs/dbraw/zinc/90/40/82/366904082.db2.gz GDUMVOZVQYXLHK-VXGBXAGGSA-N 0 3 249.329 3.271 20 0 BGADHN O=C(CCN1CCC2(CCC2)C1)c1ccccc1 ZINC000182456003 385448345 /nfs/dbraw/zinc/44/83/45/385448345.db2.gz MBEUTTOMHWAPJU-UHFFFAOYSA-N 0 3 243.350 3.135 20 0 BGADHN CC[C@H](NCCCSC)c1c(C)noc1C ZINC000182478412 385448790 /nfs/dbraw/zinc/44/87/90/385448790.db2.gz MJSAWBZEQLQJIF-NSHDSACASA-N 0 3 242.388 3.085 20 0 BGADHN CC[C@@H](NCCCSC)c1c(C)noc1C ZINC000182478431 385449163 /nfs/dbraw/zinc/44/91/63/385449163.db2.gz MJSAWBZEQLQJIF-LLVKDONJSA-N 0 3 242.388 3.085 20 0 BGADHN C[C@@H]1CN(Cc2cscn2)[C@H]2CCCC[C@H]12 ZINC000182484558 134345413 /nfs/dbraw/zinc/34/54/13/134345413.db2.gz ZXALKYZHYIMLMM-RTXFEEFZSA-N 0 3 236.384 3.154 20 0 BGADHN C[C@H]1CN(Cc2cscn2)[C@H]2CCCC[C@H]12 ZINC000182484577 134345223 /nfs/dbraw/zinc/34/52/23/134345223.db2.gz ZXALKYZHYIMLMM-UHTWSYAYSA-N 0 3 236.384 3.154 20 0 BGADHN CCSCCN[C@@H](CC)c1c(C)noc1C ZINC000182487429 385452060 /nfs/dbraw/zinc/45/20/60/385452060.db2.gz IMPANFQFCKJXHJ-NSHDSACASA-N 0 3 242.388 3.085 20 0 BGADHN CCSCCN[C@H](CC)c1c(C)noc1C ZINC000182487446 385451906 /nfs/dbraw/zinc/45/19/06/385451906.db2.gz IMPANFQFCKJXHJ-LLVKDONJSA-N 0 3 242.388 3.085 20 0 BGADHN C[C@@H]1CN(Cc2nccs2)[C@H]2CCCC[C@H]12 ZINC000182490757 134345478 /nfs/dbraw/zinc/34/54/78/134345478.db2.gz NPDXYOAKRGNEKU-UTUOFQBUSA-N 0 3 236.384 3.154 20 0 BGADHN C[C@H]1CN(Cc2nccs2)[C@H]2CCCC[C@H]12 ZINC000182490782 134345638 /nfs/dbraw/zinc/34/56/38/134345638.db2.gz NPDXYOAKRGNEKU-TUAOUCFPSA-N 0 3 236.384 3.154 20 0 BGADHN Cc1oc2ccccc2c1CN[C@@H]1CCSC1 ZINC000182500956 385676257 /nfs/dbraw/zinc/67/62/57/385676257.db2.gz UZQGIIMQELBHNC-LLVKDONJSA-N 0 3 247.363 3.336 20 0 BGADHN Cc1oc2ccccc2c1CN[C@H]1CCSC1 ZINC000182500979 385677254 /nfs/dbraw/zinc/67/72/54/385677254.db2.gz UZQGIIMQELBHNC-NSHDSACASA-N 0 3 247.363 3.336 20 0 BGADHN Cc1nc(CN2C[C@H](C)[C@H]3CCCC[C@@H]32)oc1C ZINC000182504300 134345402 /nfs/dbraw/zinc/34/54/02/134345402.db2.gz YSWDTQPJTGGWSC-GDLCADMTSA-N 0 3 248.370 3.302 20 0 BGADHN Cc1nc(CN2C[C@@H](C)[C@H]3CCCC[C@@H]32)oc1C ZINC000182504319 134345282 /nfs/dbraw/zinc/34/52/82/134345282.db2.gz YSWDTQPJTGGWSC-HONMWMINSA-N 0 3 248.370 3.302 20 0 BGADHN CC[C@H](NC1CCC(CC)CC1)c1nccn1C ZINC000182509529 134345445 /nfs/dbraw/zinc/34/54/45/134345445.db2.gz VTMZGHBAETZEDL-RUXDESIVSA-N 0 3 249.402 3.430 20 0 BGADHN CC[C@@H](NC1CCC(CC)CC1)c1nccn1C ZINC000182509548 535802685 /nfs/dbraw/zinc/80/26/85/535802685.db2.gz VTMZGHBAETZEDL-JXQTWKCFSA-N 0 3 249.402 3.430 20 0 BGADHN CCC(CC)CN[C@@H](COC)c1ccc(C)o1 ZINC000182528832 366913630 /nfs/dbraw/zinc/91/36/30/366913630.db2.gz BDZWMYYWKIUGRF-ZDUSSCGKSA-N 0 3 239.359 3.301 20 0 BGADHN CCC(CC)CN[C@H](COC)c1ccc(C)o1 ZINC000182528850 366913899 /nfs/dbraw/zinc/91/38/99/366913899.db2.gz BDZWMYYWKIUGRF-CYBMUJFWSA-N 0 3 239.359 3.301 20 0 BGADHN CCC[C@@H](C)CN[C@@H](COC)c1ccc(C)o1 ZINC000182529507 366913996 /nfs/dbraw/zinc/91/39/96/366913996.db2.gz HLGNTNPBMAMRJH-YPMHNXCESA-N 0 3 239.359 3.301 20 0 BGADHN CCC[C@H](C)CN[C@@H](COC)c1ccc(C)o1 ZINC000182529527 366913861 /nfs/dbraw/zinc/91/38/61/366913861.db2.gz HLGNTNPBMAMRJH-AAEUAGOBSA-N 0 3 239.359 3.301 20 0 BGADHN CCC[C@@H](C)CN[C@H](COC)c1ccc(C)o1 ZINC000182529541 366913871 /nfs/dbraw/zinc/91/38/71/366913871.db2.gz HLGNTNPBMAMRJH-DGCLKSJQSA-N 0 3 239.359 3.301 20 0 BGADHN CCC[C@H](C)CN[C@H](COC)c1ccc(C)o1 ZINC000182529561 366913828 /nfs/dbraw/zinc/91/38/28/366913828.db2.gz HLGNTNPBMAMRJH-WCQYABFASA-N 0 3 239.359 3.301 20 0 BGADHN COC[C@@H](NCC1CCCC1)c1ccc(C)o1 ZINC000182530395 366915101 /nfs/dbraw/zinc/91/51/01/366915101.db2.gz BMACKLYRELURCZ-CYBMUJFWSA-N 0 3 237.343 3.055 20 0 BGADHN COC[C@H](NCC1CCCC1)c1ccc(C)o1 ZINC000182530411 366914920 /nfs/dbraw/zinc/91/49/20/366914920.db2.gz BMACKLYRELURCZ-ZDUSSCGKSA-N 0 3 237.343 3.055 20 0 BGADHN CC(C)=CCN[C@@H](C)c1cccc(NC(C)=O)c1 ZINC000182553386 385458269 /nfs/dbraw/zinc/45/82/69/385458269.db2.gz VLCYGKRADVBSSR-LBPRGKRZSA-N 0 3 246.354 3.262 20 0 BGADHN CC(C)=CCN[C@H](C)c1cccc(NC(C)=O)c1 ZINC000182553405 385458326 /nfs/dbraw/zinc/45/83/26/385458326.db2.gz VLCYGKRADVBSSR-GFCCVEGCSA-N 0 3 246.354 3.262 20 0 BGADHN C[C@H](NC/C=C/Cl)c1cccs1 ZINC000182559158 385458130 /nfs/dbraw/zinc/45/81/30/385458130.db2.gz WXQMBSYNRZBJKX-WGAJWPLOSA-N 0 3 201.722 3.151 20 0 BGADHN C[C@@H](NC/C=C/Cl)c1cccs1 ZINC000182559177 385457912 /nfs/dbraw/zinc/45/79/12/385457912.db2.gz WXQMBSYNRZBJKX-RYEJSQLPSA-N 0 3 201.722 3.151 20 0 BGADHN CC[C@H](NC[C@@H]1CCC[C@H](C)C1)c1nccn1C ZINC000182580950 366918091 /nfs/dbraw/zinc/91/80/91/366918091.db2.gz MJWXCTJILWUQMV-MJBXVCDLSA-N 0 3 249.402 3.287 20 0 BGADHN CC[C@H](NC[C@H]1CCC[C@H](C)C1)c1nccn1C ZINC000182580991 366917819 /nfs/dbraw/zinc/91/78/19/366917819.db2.gz MJWXCTJILWUQMV-IHRRRGAJSA-N 0 3 249.402 3.287 20 0 BGADHN CC[C@H](NCC1CCC(C)CC1)c1nccn1C ZINC000182581377 538963934 /nfs/dbraw/zinc/96/39/34/538963934.db2.gz YXLGQNRDTUOSDN-RUXDESIVSA-N 0 3 249.402 3.287 20 0 BGADHN CC[C@@H](NCC1CCC(C)CC1)c1nccn1C ZINC000182581394 538963774 /nfs/dbraw/zinc/96/37/74/538963774.db2.gz YXLGQNRDTUOSDN-JXQTWKCFSA-N 0 3 249.402 3.287 20 0 BGADHN CC1=CCC[C@@H](C)[C@H]1CNCc1ccco1 ZINC000182591404 385459732 /nfs/dbraw/zinc/45/97/32/385459732.db2.gz RTIOHRUXUHSYEU-OCCSQVGLSA-N 0 3 219.328 3.362 20 0 BGADHN CC1=CCC[C@H](C)[C@H]1CNCc1ccco1 ZINC000182591428 385459639 /nfs/dbraw/zinc/45/96/39/385459639.db2.gz RTIOHRUXUHSYEU-JSGCOSHPSA-N 0 3 219.328 3.362 20 0 BGADHN CC1=CCC[C@@H](C)[C@@H]1CNCc1ccco1 ZINC000182591448 385459904 /nfs/dbraw/zinc/45/99/04/385459904.db2.gz RTIOHRUXUHSYEU-TZMCWYRMSA-N 0 3 219.328 3.362 20 0 BGADHN CC1=CCC[C@H](C)[C@@H]1CNCc1ccco1 ZINC000182591467 385459504 /nfs/dbraw/zinc/45/95/04/385459504.db2.gz RTIOHRUXUHSYEU-GXTWGEPZSA-N 0 3 219.328 3.362 20 0 BGADHN CN(CCCc1cccc(F)c1)Cc1ccco1 ZINC000182599358 536361839 /nfs/dbraw/zinc/36/18/39/536361839.db2.gz LAUSRMUROWOQDP-UHFFFAOYSA-N 0 3 247.313 3.483 20 0 BGADHN CC[C@H](NC[C@@H]1CCCC[C@@H]1C)c1nccn1C ZINC000182625762 366924803 /nfs/dbraw/zinc/92/48/03/366924803.db2.gz UEADDQVREPHQSA-IHRRRGAJSA-N 0 3 249.402 3.287 20 0 BGADHN CC[C@H](NC[C@H]1CCCC[C@@H]1C)c1nccn1C ZINC000182625800 366924800 /nfs/dbraw/zinc/92/48/00/366924800.db2.gz UEADDQVREPHQSA-MJBXVCDLSA-N 0 3 249.402 3.287 20 0 BGADHN Cc1noc(C)c1CNC[C@H]1C(C)=CCC[C@H]1C ZINC000182631378 168102168 /nfs/dbraw/zinc/10/21/68/168102168.db2.gz AKCPSHWEFBSGDL-RISCZKNCSA-N 0 3 248.370 3.373 20 0 BGADHN Cc1noc(C)c1CNC[C@@H]1C(C)=CCC[C@H]1C ZINC000182631391 168101633 /nfs/dbraw/zinc/10/16/33/168101633.db2.gz AKCPSHWEFBSGDL-BXUZGUMPSA-N 0 3 248.370 3.373 20 0 BGADHN Cc1noc(C)c1CNC[C@H]1C(C)=CCC[C@@H]1C ZINC000182631413 168105079 /nfs/dbraw/zinc/10/50/79/168105079.db2.gz AKCPSHWEFBSGDL-FZMZJTMJSA-N 0 3 248.370 3.373 20 0 BGADHN Cc1noc(C)c1CNC[C@@H]1C(C)=CCC[C@@H]1C ZINC000182631429 168103763 /nfs/dbraw/zinc/10/37/63/168103763.db2.gz AKCPSHWEFBSGDL-SMDDNHRTSA-N 0 3 248.370 3.373 20 0 BGADHN COC1(CN[C@@H](C)c2ccc(F)cc2)CCC1 ZINC000182654273 385466169 /nfs/dbraw/zinc/46/61/69/385466169.db2.gz DEMTXIKCXRPREU-NSHDSACASA-N 0 3 237.318 3.045 20 0 BGADHN COC1(CN[C@H](C)c2ccc(F)cc2)CCC1 ZINC000182654292 385465726 /nfs/dbraw/zinc/46/57/26/385465726.db2.gz DEMTXIKCXRPREU-LLVKDONJSA-N 0 3 237.318 3.045 20 0 BGADHN COC1(CN[C@@H](C)c2cccc(F)c2)CCC1 ZINC000182660147 385468158 /nfs/dbraw/zinc/46/81/58/385468158.db2.gz RWGMZDTUTWQGSE-NSHDSACASA-N 0 3 237.318 3.045 20 0 BGADHN COC1(CN[C@H](C)c2cccc(F)c2)CCC1 ZINC000182660166 385467356 /nfs/dbraw/zinc/46/73/56/385467356.db2.gz RWGMZDTUTWQGSE-LLVKDONJSA-N 0 3 237.318 3.045 20 0 BGADHN COC1(CN[C@@H](C)c2ccccc2F)CCC1 ZINC000182661290 385467921 /nfs/dbraw/zinc/46/79/21/385467921.db2.gz MXJUXAWMUJJIMB-NSHDSACASA-N 0 3 237.318 3.045 20 0 BGADHN COC1(CN[C@H](C)c2ccccc2F)CCC1 ZINC000182661308 385468134 /nfs/dbraw/zinc/46/81/34/385468134.db2.gz MXJUXAWMUJJIMB-LLVKDONJSA-N 0 3 237.318 3.045 20 0 BGADHN COc1cccc2c1CCN([C@H]1C=CCCC1)C2 ZINC000182665732 134346677 /nfs/dbraw/zinc/34/66/77/134346677.db2.gz HSUNRKNSABIUMQ-AWEZNQCLSA-N 0 3 243.350 3.162 20 0 BGADHN COc1cccc2c1CCN([C@@H]1C=CCCC1)C2 ZINC000182665755 134346614 /nfs/dbraw/zinc/34/66/14/134346614.db2.gz HSUNRKNSABIUMQ-CQSZACIVSA-N 0 3 243.350 3.162 20 0 BGADHN COc1cccc2c1CCN(CCC(C)C)C2 ZINC000182673091 536942653 /nfs/dbraw/zinc/94/26/53/536942653.db2.gz FIHNYBMWLGKAGR-UHFFFAOYSA-N 0 3 233.355 3.099 20 0 BGADHN COc1cccc2c1CCN(CC=C(C)C)C2 ZINC000182683074 536942482 /nfs/dbraw/zinc/94/24/82/536942482.db2.gz GBPCUPPPVSILPJ-UHFFFAOYSA-N 0 3 231.339 3.020 20 0 BGADHN Clc1ccc(CNC[C@@H]2C[C@@H]3C=C[C@H]2C3)nc1 ZINC000182685662 385695496 /nfs/dbraw/zinc/69/54/96/385695496.db2.gz SSQYKHYMNHEDQF-WOPDTQHZSA-N 0 3 248.757 3.037 20 0 BGADHN Clc1ccc(CNC[C@H]2C[C@@H]3C=C[C@H]2C3)nc1 ZINC000182685677 385695482 /nfs/dbraw/zinc/69/54/82/385695482.db2.gz SSQYKHYMNHEDQF-GRYCIOLGSA-N 0 3 248.757 3.037 20 0 BGADHN CCCC[C@@H]1CCC[C@@H]1N[C@@H](C)c1nccn1C ZINC000182795039 366941905 /nfs/dbraw/zinc/94/19/05/366941905.db2.gz OZPBWGPOFOUACV-MJBXVCDLSA-N 0 3 249.402 3.430 20 0 BGADHN CCCC[C@@H]1CCC[C@H]1N[C@@H](C)c1nccn1C ZINC000182795074 366942084 /nfs/dbraw/zinc/94/20/84/366942084.db2.gz OZPBWGPOFOUACV-BFHYXJOUSA-N 0 3 249.402 3.430 20 0 BGADHN CC(C)[C@@H]1CCC[C@H](N[C@@H](C)c2nccn2C)C1 ZINC000182813700 366945340 /nfs/dbraw/zinc/94/53/40/366945340.db2.gz JIQDSGFXLTVNRR-MJBXVCDLSA-N 0 3 249.402 3.286 20 0 BGADHN CC(C)[C@H]1CCC[C@H](N[C@@H](C)c2nccn2C)C1 ZINC000182813715 366945650 /nfs/dbraw/zinc/94/56/50/366945650.db2.gz JIQDSGFXLTVNRR-IHRRRGAJSA-N 0 3 249.402 3.286 20 0 BGADHN CC(C)[C@@H]1CCC[C@@H](N[C@@H](C)c2nccn2C)C1 ZINC000182813736 345120695 /nfs/dbraw/zinc/12/06/95/345120695.db2.gz JIQDSGFXLTVNRR-BFHYXJOUSA-N 0 3 249.402 3.286 20 0 BGADHN CC(C)[C@H]1CCC[C@@H](N[C@@H](C)c2nccn2C)C1 ZINC000182813754 366945382 /nfs/dbraw/zinc/94/53/82/366945382.db2.gz JIQDSGFXLTVNRR-MELADBBJSA-N 0 3 249.402 3.286 20 0 BGADHN C[C@H](NCCCCC(C)(C)C)c1nccn1C ZINC000182816895 366945353 /nfs/dbraw/zinc/94/53/53/366945353.db2.gz OPSYOLZTVXUGJE-LBPRGKRZSA-N 0 3 237.391 3.287 20 0 BGADHN C[C@@H](NCCCCC(C)(C)C)c1nccn1C ZINC000182816912 366945465 /nfs/dbraw/zinc/94/54/65/366945465.db2.gz OPSYOLZTVXUGJE-GFCCVEGCSA-N 0 3 237.391 3.287 20 0 BGADHN CCN(CC)Cc1cn(C)nc1C1CCCCC1 ZINC000182935492 366959207 /nfs/dbraw/zinc/95/92/07/366959207.db2.gz VTRVNHNUIVMZND-UHFFFAOYSA-N 0 3 249.402 3.310 20 0 BGADHN CC(C)N(C)Cc1cn(C)nc1C1CCCCC1 ZINC000182942652 366960693 /nfs/dbraw/zinc/96/06/93/366960693.db2.gz ZXBIGLDYEBXRFY-UHFFFAOYSA-N 0 3 249.402 3.308 20 0 BGADHN CC[C@@H]1CCCCN1Cc1cnn(CC(C)C)c1 ZINC000182946113 366960752 /nfs/dbraw/zinc/96/07/52/366960752.db2.gz ANGLDIRMMDDOBK-OAHLLOKOSA-N 0 3 249.402 3.304 20 0 BGADHN CC[C@H]1CCCCN1Cc1cnn(CC(C)C)c1 ZINC000182946134 366960698 /nfs/dbraw/zinc/96/06/98/366960698.db2.gz ANGLDIRMMDDOBK-HNNXBMFYSA-N 0 3 249.402 3.304 20 0 BGADHN CC(C)Cn1cc(CN(C)C2CCCCC2)cn1 ZINC000182946468 366960233 /nfs/dbraw/zinc/96/02/33/366960233.db2.gz BSFFKHPGTAGZGF-UHFFFAOYSA-N 0 3 249.402 3.304 20 0 BGADHN CC(C)Cn1cc(CN2C[C@H](C)C[C@H](C)C2)cn1 ZINC000182948046 347112492 /nfs/dbraw/zinc/11/24/92/347112492.db2.gz XDTYGQCZJZMQBT-OKILXGFUSA-N 0 3 249.402 3.017 20 0 BGADHN CC(C)Cn1cc(CN2C[C@@H](C)C[C@H](C)C2)cn1 ZINC000182948068 347112695 /nfs/dbraw/zinc/11/26/95/347112695.db2.gz XDTYGQCZJZMQBT-KBPBESRZSA-N 0 3 249.402 3.017 20 0 BGADHN CC(C)Cn1cc(CN2C[C@H](C)C[C@@H](C)C2)cn1 ZINC000182948085 366960345 /nfs/dbraw/zinc/96/03/45/366960345.db2.gz XDTYGQCZJZMQBT-ZIAGYGMSSA-N 0 3 249.402 3.017 20 0 BGADHN CCCN(CCC)Cc1cnn(CC(C)C)c1 ZINC000182948392 366960812 /nfs/dbraw/zinc/96/08/12/366960812.db2.gz DAPFVHJHRNSWFE-UHFFFAOYSA-N 0 3 237.391 3.161 20 0 BGADHN Cc1nc(CNC2[C@@H](C)CCC[C@@H]2C)oc1C ZINC000182948954 366960391 /nfs/dbraw/zinc/96/03/91/366960391.db2.gz AJJLPSBZBZQOMQ-UWVGGRQHSA-N 0 3 236.359 3.206 20 0 BGADHN Cc1nc(CNC2[C@H](C)CCC[C@H]2C)oc1C ZINC000182948975 366960355 /nfs/dbraw/zinc/96/03/55/366960355.db2.gz AJJLPSBZBZQOMQ-NXEZZACHSA-N 0 3 236.359 3.206 20 0 BGADHN CC(C)n1ccnc1CNC1[C@@H](C)CCC[C@@H]1C ZINC000182949110 366960473 /nfs/dbraw/zinc/96/04/73/366960473.db2.gz SDVAJSIEXDTKFL-STQMWFEESA-N 0 3 249.402 3.378 20 0 BGADHN CC(C)n1ccnc1CNC1[C@H](C)CCC[C@H]1C ZINC000182949124 366960746 /nfs/dbraw/zinc/96/07/46/366960746.db2.gz SDVAJSIEXDTKFL-CHWSQXEVSA-N 0 3 249.402 3.378 20 0 BGADHN CCCCN(CC)Cc1cnn(CC(C)C)c1 ZINC000182952172 366961604 /nfs/dbraw/zinc/96/16/04/366961604.db2.gz GIIQAZHMFARSAD-UHFFFAOYSA-N 0 3 237.391 3.161 20 0 BGADHN CC[C@@H]1CCC[C@H](CN(C)Cc2cnn(C)c2)C1 ZINC000182959106 366962205 /nfs/dbraw/zinc/96/22/05/366962205.db2.gz JSZCPSZXCLKPMQ-KGLIPLIRSA-N 0 3 249.402 3.068 20 0 BGADHN CC[C@H]1CCC[C@H](CN(C)Cc2cnn(C)c2)C1 ZINC000182959122 366962141 /nfs/dbraw/zinc/96/21/41/366962141.db2.gz JSZCPSZXCLKPMQ-KBPBESRZSA-N 0 3 249.402 3.068 20 0 BGADHN CC[C@@H]1CCC[C@@H](CN(C)Cc2cnn(C)c2)C1 ZINC000182959143 366961907 /nfs/dbraw/zinc/96/19/07/366961907.db2.gz JSZCPSZXCLKPMQ-ZIAGYGMSSA-N 0 3 249.402 3.068 20 0 BGADHN CC[C@H]1CCC[C@@H](CN(C)Cc2cnn(C)c2)C1 ZINC000182959160 366961837 /nfs/dbraw/zinc/96/18/37/366961837.db2.gz JSZCPSZXCLKPMQ-UONOGXRCSA-N 0 3 249.402 3.068 20 0 BGADHN CCCN(C)Cc1cn(C)nc1C1CCCCC1 ZINC000182979987 366963398 /nfs/dbraw/zinc/96/33/98/366963398.db2.gz SDVULZYTIJNLHK-UHFFFAOYSA-N 0 3 249.402 3.310 20 0 BGADHN C[C@@H](CCC(C)(C)C)N[C@@H](C)c1nccn1C ZINC000182995693 345936474 /nfs/dbraw/zinc/93/64/74/345936474.db2.gz NVZNCLGRXLVSCK-RYUDHWBXSA-N 0 3 237.391 3.286 20 0 BGADHN C[C@H](CCC(C)(C)C)N[C@@H](C)c1nccn1C ZINC000182995711 345936753 /nfs/dbraw/zinc/93/67/53/345936753.db2.gz NVZNCLGRXLVSCK-NEPJUHHUSA-N 0 3 237.391 3.286 20 0 BGADHN C[C@@H](N[C@@H](C)CCC(C)(C)C)c1nccn1C ZINC000182995721 345936495 /nfs/dbraw/zinc/93/64/95/345936495.db2.gz NVZNCLGRXLVSCK-NWDGAFQWSA-N 0 3 237.391 3.286 20 0 BGADHN C[C@H](CCC(C)(C)C)N[C@H](C)c1nccn1C ZINC000182995735 345936592 /nfs/dbraw/zinc/93/65/92/345936592.db2.gz NVZNCLGRXLVSCK-VXGBXAGGSA-N 0 3 237.391 3.286 20 0 BGADHN c1ccc2c(c1)nccc2N[C@@H]1CCCOCC1 ZINC000183000302 346831042 /nfs/dbraw/zinc/83/10/42/346831042.db2.gz SPSZOAUHTNFMDB-GFCCVEGCSA-N 0 3 242.322 3.216 20 0 BGADHN c1ccc2c(c1)nccc2N[C@H]1CCCOCC1 ZINC000183000318 346830561 /nfs/dbraw/zinc/83/05/61/346830561.db2.gz SPSZOAUHTNFMDB-LBPRGKRZSA-N 0 3 242.322 3.216 20 0 BGADHN CC[C@H](NC1CCC(C)(C)CC1)c1nccn1C ZINC000183019851 366966641 /nfs/dbraw/zinc/96/66/41/366966641.db2.gz MPOLVESWNDWOEF-ZDUSSCGKSA-N 0 3 249.402 3.430 20 0 BGADHN CC[C@@H](NC1CCC(C)(C)CC1)c1nccn1C ZINC000183019872 366966649 /nfs/dbraw/zinc/96/66/49/366966649.db2.gz MPOLVESWNDWOEF-CYBMUJFWSA-N 0 3 249.402 3.430 20 0 BGADHN CC[C@@H]1CCC[C@H](CN(C)Cc2cnccn2)C1 ZINC000183021218 347116551 /nfs/dbraw/zinc/11/65/51/347116551.db2.gz JJNODYVFXBXMTD-KGLIPLIRSA-N 0 3 247.386 3.125 20 0 BGADHN CC[C@H]1CCC[C@H](CN(C)Cc2cnccn2)C1 ZINC000183021240 171625667 /nfs/dbraw/zinc/62/56/67/171625667.db2.gz JJNODYVFXBXMTD-KBPBESRZSA-N 0 3 247.386 3.125 20 0 BGADHN CC[C@@H]1CCC[C@@H](CN(C)Cc2cnccn2)C1 ZINC000183021259 347116403 /nfs/dbraw/zinc/11/64/03/347116403.db2.gz JJNODYVFXBXMTD-ZIAGYGMSSA-N 0 3 247.386 3.125 20 0 BGADHN CC[C@H]1CCC[C@@H](CN(C)Cc2cnccn2)C1 ZINC000183021278 385729589 /nfs/dbraw/zinc/72/95/89/385729589.db2.gz JJNODYVFXBXMTD-UONOGXRCSA-N 0 3 247.386 3.125 20 0 BGADHN CC(C)N(Cc1nc2ccccc2o1)C(C)C ZINC000183024787 535120003 /nfs/dbraw/zinc/12/00/03/535120003.db2.gz MQKQJUOZKYNCBS-UHFFFAOYSA-N 0 3 232.327 3.447 20 0 BGADHN Cc1cccc2nc(CN(C(C)C)C(C)C)cn21 ZINC000183035501 179230417 /nfs/dbraw/zinc/23/04/17/179230417.db2.gz HJXNOXKEFSHMAG-UHFFFAOYSA-N 0 3 245.370 3.262 20 0 BGADHN CCNCc1ccc(-c2ccccc2)cc1OC ZINC000183044054 398088615 /nfs/dbraw/zinc/08/86/15/398088615.db2.gz NFULIVCSPRSARD-UHFFFAOYSA-N 0 3 241.334 3.472 20 0 BGADHN C[C@H](NCCCCC1CCCC1)c1nccn1C ZINC000183050556 366969504 /nfs/dbraw/zinc/96/95/04/366969504.db2.gz FEBDQSWNHZHGDR-ZDUSSCGKSA-N 0 3 249.402 3.431 20 0 BGADHN C[C@@H](NCCCCC1CCCC1)c1nccn1C ZINC000183050573 366969561 /nfs/dbraw/zinc/96/95/61/366969561.db2.gz FEBDQSWNHZHGDR-CYBMUJFWSA-N 0 3 249.402 3.431 20 0 BGADHN CC[C@@H](C)[C@@H](C)NCc1nc2ccccc2o1 ZINC000183056207 366971072 /nfs/dbraw/zinc/97/10/72/366971072.db2.gz PQBASYFORMDJGP-GHMZBOCLSA-N 0 3 232.327 3.352 20 0 BGADHN CC[C@H](C)[C@@H](C)NCc1nc2ccccc2o1 ZINC000183056225 366971007 /nfs/dbraw/zinc/97/10/07/366971007.db2.gz PQBASYFORMDJGP-WDEREUQCSA-N 0 3 232.327 3.352 20 0 BGADHN CC[C@@H](C)[C@H](C)NCc1nc2ccccc2o1 ZINC000183056243 366971516 /nfs/dbraw/zinc/97/15/16/366971516.db2.gz PQBASYFORMDJGP-MNOVXSKESA-N 0 3 232.327 3.352 20 0 BGADHN CC[C@H](C)[C@H](C)NCc1nc2ccccc2o1 ZINC000183056261 366971025 /nfs/dbraw/zinc/97/10/25/366971025.db2.gz PQBASYFORMDJGP-QWRGUYRKSA-N 0 3 232.327 3.352 20 0 BGADHN CC[C@@H](C)[C@@H](C)NCc1noc2c1CCCC2 ZINC000183057272 366971233 /nfs/dbraw/zinc/97/12/33/366971233.db2.gz NKZPUXHQDDTRTA-GHMZBOCLSA-N 0 3 236.359 3.078 20 0 BGADHN CC[C@H](C)[C@@H](C)NCc1noc2c1CCCC2 ZINC000183057289 366970767 /nfs/dbraw/zinc/97/07/67/366970767.db2.gz NKZPUXHQDDTRTA-WDEREUQCSA-N 0 3 236.359 3.078 20 0 BGADHN CC[C@@H](C)[C@H](C)NCc1noc2c1CCCC2 ZINC000183057310 366971302 /nfs/dbraw/zinc/97/13/02/366971302.db2.gz NKZPUXHQDDTRTA-MNOVXSKESA-N 0 3 236.359 3.078 20 0 BGADHN CC[C@H](C)[C@H](C)NCc1noc2c1CCCC2 ZINC000183057327 366971167 /nfs/dbraw/zinc/97/11/67/366971167.db2.gz NKZPUXHQDDTRTA-QWRGUYRKSA-N 0 3 236.359 3.078 20 0 BGADHN CC[C@@H](C)[C@@H](C)NCc1cnc(Cl)s1 ZINC000183057664 385503920 /nfs/dbraw/zinc/50/39/20/385503920.db2.gz YNVFBGOYLQLSCL-HTQZYQBOSA-N 0 3 232.780 3.321 20 0 BGADHN CC[C@H](C)[C@@H](C)NCc1cnc(Cl)s1 ZINC000183057681 171365778 /nfs/dbraw/zinc/36/57/78/171365778.db2.gz YNVFBGOYLQLSCL-JGVFFNPUSA-N 0 3 232.780 3.321 20 0 BGADHN CC[C@@H](C)[C@H](C)NCc1cnc(Cl)s1 ZINC000183057699 385503643 /nfs/dbraw/zinc/50/36/43/385503643.db2.gz YNVFBGOYLQLSCL-SFYZADRCSA-N 0 3 232.780 3.321 20 0 BGADHN CC[C@H](C)[C@H](C)NCc1cnc(Cl)s1 ZINC000183057722 171389724 /nfs/dbraw/zinc/38/97/24/171389724.db2.gz YNVFBGOYLQLSCL-YUMQZZPRSA-N 0 3 232.780 3.321 20 0 BGADHN Cc1ccc2nc(CN(C(C)C)C(C)C)cn2c1 ZINC000183058921 134350743 /nfs/dbraw/zinc/35/07/43/134350743.db2.gz IAMVUWLJELWNSP-UHFFFAOYSA-N 0 3 245.370 3.262 20 0 BGADHN CCN(Cc1cnn(CC(C)C)c1)CC(C)C ZINC000183061038 366973011 /nfs/dbraw/zinc/97/30/11/366973011.db2.gz QTYHYZUGOBOQAH-UHFFFAOYSA-N 0 3 237.391 3.017 20 0 BGADHN CC(C)N(Cc1cccc(Cl)n1)C(C)C ZINC000183064854 188169275 /nfs/dbraw/zinc/16/92/75/188169275.db2.gz DWFYPZWZDOBWJX-UHFFFAOYSA-N 0 3 226.751 3.354 20 0 BGADHN CC[C@@H](C)[C@@H](C)NCc1cccc(Cl)n1 ZINC000183069374 385505079 /nfs/dbraw/zinc/50/50/79/385505079.db2.gz CBTBSPWFZBZMAQ-NXEZZACHSA-N 0 3 226.751 3.259 20 0 BGADHN CC[C@H](C)[C@@H](C)NCc1cccc(Cl)n1 ZINC000183069394 171366034 /nfs/dbraw/zinc/36/60/34/171366034.db2.gz CBTBSPWFZBZMAQ-VHSXEESVSA-N 0 3 226.751 3.259 20 0 BGADHN CC[C@@H](C)[C@H](C)NCc1cccc(Cl)n1 ZINC000183069412 385506035 /nfs/dbraw/zinc/50/60/35/385506035.db2.gz CBTBSPWFZBZMAQ-ZJUUUORDSA-N 0 3 226.751 3.259 20 0 BGADHN CC[C@H](C)[C@H](C)NCc1cccc(Cl)n1 ZINC000183069429 171389886 /nfs/dbraw/zinc/38/98/86/171389886.db2.gz CBTBSPWFZBZMAQ-UWVGGRQHSA-N 0 3 226.751 3.259 20 0 BGADHN C[C@H](N[C@H]1CCC(C)(C)C[C@H]1C)c1nccn1C ZINC000183072221 366974323 /nfs/dbraw/zinc/97/43/23/366974323.db2.gz APEJNVXUNAOIST-AGIUHOORSA-N 0 3 249.402 3.286 20 0 BGADHN C[C@H](N[C@H]1CCC(C)(C)C[C@@H]1C)c1nccn1C ZINC000183072238 366973543 /nfs/dbraw/zinc/97/35/43/366973543.db2.gz APEJNVXUNAOIST-AVGNSLFASA-N 0 3 249.402 3.286 20 0 BGADHN C[C@H](N[C@@H]1CCC(C)(C)C[C@H]1C)c1nccn1C ZINC000183072255 366973928 /nfs/dbraw/zinc/97/39/28/366973928.db2.gz APEJNVXUNAOIST-FRRDWIJNSA-N 0 3 249.402 3.286 20 0 BGADHN C[C@H](N[C@@H]1CCC(C)(C)C[C@@H]1C)c1nccn1C ZINC000183072269 366974485 /nfs/dbraw/zinc/97/44/85/366974485.db2.gz APEJNVXUNAOIST-RWMBFGLXSA-N 0 3 249.402 3.286 20 0 BGADHN CCCC[C@@H](CCC)N[C@@H](C)c1nccn1C ZINC000183076785 385507655 /nfs/dbraw/zinc/50/76/55/385507655.db2.gz BBLVZGGXRXXYTB-QWHCGFSZSA-N 0 3 237.391 3.430 20 0 BGADHN CCCC[C@H](CCC)N[C@@H](C)c1nccn1C ZINC000183076803 385507085 /nfs/dbraw/zinc/50/70/85/385507085.db2.gz BBLVZGGXRXXYTB-STQMWFEESA-N 0 3 237.391 3.430 20 0 BGADHN CCCC[C@@H](CCC)N[C@H](C)c1nccn1C ZINC000183076822 385507546 /nfs/dbraw/zinc/50/75/46/385507546.db2.gz BBLVZGGXRXXYTB-CHWSQXEVSA-N 0 3 237.391 3.430 20 0 BGADHN CCCC[C@H](CCC)N[C@H](C)c1nccn1C ZINC000183076842 385507056 /nfs/dbraw/zinc/50/70/56/385507056.db2.gz BBLVZGGXRXXYTB-OLZOCXBDSA-N 0 3 237.391 3.430 20 0 BGADHN CC(C)CN(Cc1cnn(CC(C)C)c1)C1CC1 ZINC000183088995 366975581 /nfs/dbraw/zinc/97/55/81/366975581.db2.gz IXPOLEUJJIEESF-UHFFFAOYSA-N 0 3 249.402 3.160 20 0 BGADHN CC[C@H](NCC1(CC)CCC1)c1nccn1C ZINC000183092268 366975795 /nfs/dbraw/zinc/97/57/95/366975795.db2.gz JDXGTTWWHFAKQJ-LBPRGKRZSA-N 0 3 235.375 3.041 20 0 BGADHN CC[C@@H](NCC1(CC)CCC1)c1nccn1C ZINC000183092291 366975518 /nfs/dbraw/zinc/97/55/18/366975518.db2.gz JDXGTTWWHFAKQJ-GFCCVEGCSA-N 0 3 235.375 3.041 20 0 BGADHN CC(C)CC1(CN[C@@H](C)c2nccn2C)CCC1 ZINC000183110570 366976913 /nfs/dbraw/zinc/97/69/13/366976913.db2.gz GHSMCWXXRZOHRY-ZDUSSCGKSA-N 0 3 249.402 3.287 20 0 BGADHN CC(C)CC1(CN[C@H](C)c2nccn2C)CCC1 ZINC000183110589 366976972 /nfs/dbraw/zinc/97/69/72/366976972.db2.gz GHSMCWXXRZOHRY-CYBMUJFWSA-N 0 3 249.402 3.287 20 0 BGADHN CC[C@@H](C)CN(C)Cc1cnn(CC(C)C)c1 ZINC000183117410 366978922 /nfs/dbraw/zinc/97/89/22/366978922.db2.gz NHEDLGOTKIEGIR-CYBMUJFWSA-N 0 3 237.391 3.017 20 0 BGADHN CC[C@H](C)CN(C)Cc1cnn(CC(C)C)c1 ZINC000183117424 366978717 /nfs/dbraw/zinc/97/87/17/366978717.db2.gz NHEDLGOTKIEGIR-ZDUSSCGKSA-N 0 3 237.391 3.017 20 0 BGADHN CC[C@@H]1CCCN(Cc2cnn(CC(C)C)c2)C1 ZINC000183123014 345145596 /nfs/dbraw/zinc/14/55/96/345145596.db2.gz IDBUFSBJHVOHSV-CQSZACIVSA-N 0 3 249.402 3.161 20 0 BGADHN CC[C@H]1CCCN(Cc2cnn(CC(C)C)c2)C1 ZINC000183123034 366978299 /nfs/dbraw/zinc/97/82/99/366978299.db2.gz IDBUFSBJHVOHSV-AWEZNQCLSA-N 0 3 249.402 3.161 20 0 BGADHN CC[C@H](NCC1(CC)CCCC1)c1nccn1C ZINC000183124345 366978546 /nfs/dbraw/zinc/97/85/46/366978546.db2.gz PPWNNWRVQMPBDJ-ZDUSSCGKSA-N 0 3 249.402 3.431 20 0 BGADHN CC[C@@H](NCC1(CC)CCCC1)c1nccn1C ZINC000183124368 366978834 /nfs/dbraw/zinc/97/88/34/366978834.db2.gz PPWNNWRVQMPBDJ-CYBMUJFWSA-N 0 3 249.402 3.431 20 0 BGADHN CCC1(CN[C@@H](C)c2nccn2C)CCCC1 ZINC000183124393 385510043 /nfs/dbraw/zinc/51/00/43/385510043.db2.gz MPLGVNZAPUDINE-LBPRGKRZSA-N 0 3 235.375 3.041 20 0 BGADHN CCC1(CN[C@H](C)c2nccn2C)CCCC1 ZINC000183124412 385510586 /nfs/dbraw/zinc/51/05/86/385510586.db2.gz MPLGVNZAPUDINE-GFCCVEGCSA-N 0 3 235.375 3.041 20 0 BGADHN CC(C)Cn1cc(CN2CCCC(C)(C)C2)cn1 ZINC000183131394 366978453 /nfs/dbraw/zinc/97/84/53/366978453.db2.gz LHRBCEYTWYKDRU-UHFFFAOYSA-N 0 3 249.402 3.161 20 0 BGADHN CC(C)C1CCC(N[C@@H](C)c2nccn2C)CC1 ZINC000183136293 366980320 /nfs/dbraw/zinc/98/03/20/366980320.db2.gz VQEXFFKDCWCENZ-HSBZDZAISA-N 0 3 249.402 3.286 20 0 BGADHN CC(C)C1CCC(N[C@H](C)c2nccn2C)CC1 ZINC000183136307 366979806 /nfs/dbraw/zinc/97/98/06/366979806.db2.gz VQEXFFKDCWCENZ-IYXRBSQSSA-N 0 3 249.402 3.286 20 0 BGADHN CC(C)Cn1cc(CN2CCC[C@@H](C)CC2)cn1 ZINC000183200063 367001059 /nfs/dbraw/zinc/00/10/59/367001059.db2.gz GOBMQDWPMGCMDA-CQSZACIVSA-N 0 3 249.402 3.161 20 0 BGADHN CC(C)Cn1cc(CN2CCC[C@H](C)CC2)cn1 ZINC000183200084 367000882 /nfs/dbraw/zinc/00/08/82/367000882.db2.gz GOBMQDWPMGCMDA-AWEZNQCLSA-N 0 3 249.402 3.161 20 0 BGADHN C[C@H](NCc1ccccc1)c1cccc(CO)c1 ZINC000183205750 176877295 /nfs/dbraw/zinc/87/72/95/176877295.db2.gz LHDHFZHUYPOYAR-ZDUSSCGKSA-N 0 3 241.334 3.030 20 0 BGADHN C[C@@H](NCc1ccccc1)c1cccc(CO)c1 ZINC000183205772 385742111 /nfs/dbraw/zinc/74/21/11/385742111.db2.gz LHDHFZHUYPOYAR-CYBMUJFWSA-N 0 3 241.334 3.030 20 0 BGADHN CC(C)Cn1cc(CN(C)CC2CCCC2)cn1 ZINC000183216711 367002462 /nfs/dbraw/zinc/00/24/62/367002462.db2.gz ACWQMGAHKITXBG-UHFFFAOYSA-N 0 3 249.402 3.161 20 0 BGADHN Cc1cc(C)nc(N[C@@H](C)C2CCC2)c1 ZINC000183223618 386467813 /nfs/dbraw/zinc/46/78/13/386467813.db2.gz JALOTXAOOBBXFO-NSHDSACASA-N 0 3 204.317 3.299 20 0 BGADHN Cc1cc(C)nc(N[C@H](C)C2CCC2)c1 ZINC000183223637 385512117 /nfs/dbraw/zinc/51/21/17/385512117.db2.gz JALOTXAOOBBXFO-LLVKDONJSA-N 0 3 204.317 3.299 20 0 BGADHN Cc1cc(C)nc(N[C@@H](C)c2ccccn2)c1 ZINC000183223988 385743631 /nfs/dbraw/zinc/74/36/31/385743631.db2.gz SCWZOURKJUSZQA-LBPRGKRZSA-N 0 3 227.311 3.267 20 0 BGADHN Cc1cc(C)nc(N[C@H](C)c2ccccn2)c1 ZINC000183224008 385744198 /nfs/dbraw/zinc/74/41/98/385744198.db2.gz SCWZOURKJUSZQA-GFCCVEGCSA-N 0 3 227.311 3.267 20 0 BGADHN CC(C)Cn1cc(CN2CCC[C@@H](C)[C@H]2C)cn1 ZINC000183224546 367003786 /nfs/dbraw/zinc/00/37/86/367003786.db2.gz UKFQAFUIIZBBBF-ZIAGYGMSSA-N 0 3 249.402 3.160 20 0 BGADHN CC(C)Cn1cc(CN2CCC[C@H](C)[C@H]2C)cn1 ZINC000183224563 367004020 /nfs/dbraw/zinc/00/40/20/367004020.db2.gz UKFQAFUIIZBBBF-UONOGXRCSA-N 0 3 249.402 3.160 20 0 BGADHN CC[C@H](NCC1(C)CCCC1)c1nccn1C ZINC000183232373 367003639 /nfs/dbraw/zinc/00/36/39/367003639.db2.gz JPKAQESJBOUWOB-LBPRGKRZSA-N 0 3 235.375 3.041 20 0 BGADHN CC[C@@H](NCC1(C)CCCC1)c1nccn1C ZINC000183232395 367003240 /nfs/dbraw/zinc/00/32/40/367003240.db2.gz JPKAQESJBOUWOB-GFCCVEGCSA-N 0 3 235.375 3.041 20 0 BGADHN Cn1ccnc1[C@H](NCCC1CCCC1)C1CC1 ZINC000183239810 367004577 /nfs/dbraw/zinc/00/45/77/367004577.db2.gz IOMNPMGUDVPSOY-CQSZACIVSA-N 0 3 247.386 3.041 20 0 BGADHN Cn1ccnc1[C@@H](NCCC1CCCC1)C1CC1 ZINC000183239833 367005205 /nfs/dbraw/zinc/00/52/05/367005205.db2.gz IOMNPMGUDVPSOY-AWEZNQCLSA-N 0 3 247.386 3.041 20 0 BGADHN Cc1c2ccccc2oc1[C@H](NCCO)C(C)C ZINC000183260681 385746151 /nfs/dbraw/zinc/74/61/51/385746151.db2.gz HAWYNPZQYRKBDF-CQSZACIVSA-N 0 3 247.338 3.020 20 0 BGADHN Cc1c2ccccc2oc1[C@@H](NCCO)C(C)C ZINC000183260697 385746068 /nfs/dbraw/zinc/74/60/68/385746068.db2.gz HAWYNPZQYRKBDF-AWEZNQCLSA-N 0 3 247.338 3.020 20 0 BGADHN CCC1(CN[C@@H](c2nccn2C)C2CC2)CCC1 ZINC000183295284 367011619 /nfs/dbraw/zinc/01/16/19/367011619.db2.gz KLGHQEGWJFODME-CYBMUJFWSA-N 0 3 247.386 3.041 20 0 BGADHN CCC1(CN[C@H](c2nccn2C)C2CC2)CCC1 ZINC000183295305 367011878 /nfs/dbraw/zinc/01/18/78/367011878.db2.gz KLGHQEGWJFODME-ZDUSSCGKSA-N 0 3 247.386 3.041 20 0 BGADHN CC[C@H](NCCCC(C)(C)C)c1nccn1C ZINC000183297968 367012504 /nfs/dbraw/zinc/01/25/04/367012504.db2.gz DWZHZQDQHMVWHW-LBPRGKRZSA-N 0 3 237.391 3.287 20 0 BGADHN CC[C@@H](NCCCC(C)(C)C)c1nccn1C ZINC000183297988 367012291 /nfs/dbraw/zinc/01/22/91/367012291.db2.gz DWZHZQDQHMVWHW-GFCCVEGCSA-N 0 3 237.391 3.287 20 0 BGADHN Cn1ccnc1[C@H](NCC1(C)CCCC1)C1CC1 ZINC000183321586 367015312 /nfs/dbraw/zinc/01/53/12/367015312.db2.gz FTHIPYLGCYEPRU-CYBMUJFWSA-N 0 3 247.386 3.041 20 0 BGADHN Cn1ccnc1[C@@H](NCC1(C)CCCC1)C1CC1 ZINC000183321605 367015759 /nfs/dbraw/zinc/01/57/59/367015759.db2.gz FTHIPYLGCYEPRU-ZDUSSCGKSA-N 0 3 247.386 3.041 20 0 BGADHN CC(C)CC(C)(C)CN[C@@H](C)c1nccn1C ZINC000183322246 367015295 /nfs/dbraw/zinc/01/52/95/367015295.db2.gz CMSFYZYXUXCNEI-LBPRGKRZSA-N 0 3 237.391 3.143 20 0 BGADHN CC(C)CC(C)(C)CN[C@H](C)c1nccn1C ZINC000183322263 346840394 /nfs/dbraw/zinc/84/03/94/346840394.db2.gz CMSFYZYXUXCNEI-GFCCVEGCSA-N 0 3 237.391 3.143 20 0 BGADHN CC(C)Cn1cc(CN2CC[C@@H](C)[C@@H](C)C2)cn1 ZINC000183323327 367015279 /nfs/dbraw/zinc/01/52/79/367015279.db2.gz MFILEYWIJWCZJH-KGLIPLIRSA-N 0 3 249.402 3.017 20 0 BGADHN CC(C)Cn1cc(CN2CC[C@H](C)[C@@H](C)C2)cn1 ZINC000183323341 367015191 /nfs/dbraw/zinc/01/51/91/367015191.db2.gz MFILEYWIJWCZJH-KBPBESRZSA-N 0 3 249.402 3.017 20 0 BGADHN CC(C)Cn1cc(CN2C[C@H](C)CC[C@@H]2C)cn1 ZINC000183325289 367015333 /nfs/dbraw/zinc/01/53/33/367015333.db2.gz QQGFVCOZDRUABZ-KGLIPLIRSA-N 0 3 249.402 3.160 20 0 BGADHN CC(C)Cn1cc(CN2C[C@@H](C)CC[C@@H]2C)cn1 ZINC000183325303 367015232 /nfs/dbraw/zinc/01/52/32/367015232.db2.gz QQGFVCOZDRUABZ-KBPBESRZSA-N 0 3 249.402 3.160 20 0 BGADHN CC(C)Cn1cc(CN2C[C@H](C)CC[C@H]2C)cn1 ZINC000183325315 367015832 /nfs/dbraw/zinc/01/58/32/367015832.db2.gz QQGFVCOZDRUABZ-ZIAGYGMSSA-N 0 3 249.402 3.160 20 0 BGADHN CC(C)Cn1cc(CN2C[C@@H](C)CC[C@H]2C)cn1 ZINC000183325334 367015166 /nfs/dbraw/zinc/01/51/66/367015166.db2.gz QQGFVCOZDRUABZ-UONOGXRCSA-N 0 3 249.402 3.160 20 0 BGADHN CC[C@H](NCC1(CC(C)C)CC1)c1nccn1C ZINC000183327932 367015713 /nfs/dbraw/zinc/01/57/13/367015713.db2.gz XGNBOSVVKQIGRT-ZDUSSCGKSA-N 0 3 249.402 3.287 20 0 BGADHN CC[C@@H](NCC1(CC(C)C)CC1)c1nccn1C ZINC000183327951 367015782 /nfs/dbraw/zinc/01/57/82/367015782.db2.gz XGNBOSVVKQIGRT-CYBMUJFWSA-N 0 3 249.402 3.287 20 0 BGADHN C[C@H](NCC1(C)CCCCCC1)c1nccn1C ZINC000183329860 367015511 /nfs/dbraw/zinc/01/55/11/367015511.db2.gz NETSCOQWJVQRDR-ZDUSSCGKSA-N 0 3 249.402 3.431 20 0 BGADHN C[C@@H](NCC1(C)CCCCCC1)c1nccn1C ZINC000183329878 367015051 /nfs/dbraw/zinc/01/50/51/367015051.db2.gz NETSCOQWJVQRDR-CYBMUJFWSA-N 0 3 249.402 3.431 20 0 BGADHN C[C@H](NCC1(C)CCCCCC1)c1cnccn1 ZINC000183329987 385754145 /nfs/dbraw/zinc/75/41/45/385754145.db2.gz OGLDPGXHRBTVPE-ZDUSSCGKSA-N 0 3 247.386 3.488 20 0 BGADHN C[C@@H](NCC1(C)CCCCCC1)c1cnccn1 ZINC000183330006 385753682 /nfs/dbraw/zinc/75/36/82/385753682.db2.gz OGLDPGXHRBTVPE-CYBMUJFWSA-N 0 3 247.386 3.488 20 0 BGADHN CCCC1(CN[C@@H](CC)c2nccn2C)CCC1 ZINC000183332098 367015099 /nfs/dbraw/zinc/01/50/99/367015099.db2.gz LRTSJPSSJPKOAC-ZDUSSCGKSA-N 0 3 249.402 3.431 20 0 BGADHN CCCC1(CN[C@H](CC)c2nccn2C)CCC1 ZINC000183332119 367015605 /nfs/dbraw/zinc/01/56/05/367015605.db2.gz LRTSJPSSJPKOAC-CYBMUJFWSA-N 0 3 249.402 3.431 20 0 BGADHN CCCC1(CN[C@@H](C)c2nccn2C)CCC1 ZINC000183332147 367015523 /nfs/dbraw/zinc/01/55/23/367015523.db2.gz KWQPLVNZUIZUQM-LBPRGKRZSA-N 0 3 235.375 3.041 20 0 BGADHN CCCC1(CN[C@H](C)c2nccn2C)CCC1 ZINC000183332166 346841239 /nfs/dbraw/zinc/84/12/39/346841239.db2.gz KWQPLVNZUIZUQM-GFCCVEGCSA-N 0 3 235.375 3.041 20 0 BGADHN CCC(CC)(CC)CN[C@@H](C)c1nccn1C ZINC000183332917 346841082 /nfs/dbraw/zinc/84/10/82/346841082.db2.gz ZNZOYNZONXSHQS-LBPRGKRZSA-N 0 3 237.391 3.287 20 0 BGADHN Cn1ccnc1[C@H](NCCCC(C)(C)C)C1CC1 ZINC000183332928 367015410 /nfs/dbraw/zinc/01/54/10/367015410.db2.gz RAJRHWGTIQDGLX-CYBMUJFWSA-N 0 3 249.402 3.287 20 0 BGADHN CCC(CC)(CC)CN[C@H](C)c1nccn1C ZINC000183332935 346841399 /nfs/dbraw/zinc/84/13/99/346841399.db2.gz ZNZOYNZONXSHQS-GFCCVEGCSA-N 0 3 237.391 3.287 20 0 BGADHN Cn1ccnc1[C@@H](NCCCC(C)(C)C)C1CC1 ZINC000183332946 367015598 /nfs/dbraw/zinc/01/55/98/367015598.db2.gz RAJRHWGTIQDGLX-ZDUSSCGKSA-N 0 3 249.402 3.287 20 0 BGADHN CCCC1(CN[C@@H](CC)c2nccn2C)CC1 ZINC000183334513 367017012 /nfs/dbraw/zinc/01/70/12/367017012.db2.gz XZOIBPVMRQNKRT-LBPRGKRZSA-N 0 3 235.375 3.041 20 0 BGADHN CCCC1(CN[C@H](CC)c2nccn2C)CC1 ZINC000183334532 367016840 /nfs/dbraw/zinc/01/68/40/367016840.db2.gz XZOIBPVMRQNKRT-GFCCVEGCSA-N 0 3 235.375 3.041 20 0 BGADHN CCCC1(CN[C@@H](c2nccn2C)C2CC2)CC1 ZINC000183340946 367016988 /nfs/dbraw/zinc/01/69/88/367016988.db2.gz BEUMCQGRTSYALA-CYBMUJFWSA-N 0 3 247.386 3.041 20 0 BGADHN CCCC1(CN[C@H](c2nccn2C)C2CC2)CC1 ZINC000183340970 367016881 /nfs/dbraw/zinc/01/68/81/367016881.db2.gz BEUMCQGRTSYALA-ZDUSSCGKSA-N 0 3 247.386 3.041 20 0 BGADHN CCc1ccc([C@@H](C)N[C@@H]2CCCOCC2)o1 ZINC000183342992 385754165 /nfs/dbraw/zinc/75/41/65/385754165.db2.gz JZUMBIUUWILUFF-VXGBXAGGSA-N 0 3 237.343 3.062 20 0 BGADHN CCc1ccc([C@H](C)N[C@@H]2CCCOCC2)o1 ZINC000183343009 385754213 /nfs/dbraw/zinc/75/42/13/385754213.db2.gz JZUMBIUUWILUFF-NWDGAFQWSA-N 0 3 237.343 3.062 20 0 BGADHN CCc1ccc([C@@H](C)N[C@H]2CCCOCC2)o1 ZINC000183343026 385754170 /nfs/dbraw/zinc/75/41/70/385754170.db2.gz JZUMBIUUWILUFF-NEPJUHHUSA-N 0 3 237.343 3.062 20 0 BGADHN CCc1ccc([C@H](C)N[C@H]2CCCOCC2)o1 ZINC000183343048 385753819 /nfs/dbraw/zinc/75/38/19/385753819.db2.gz JZUMBIUUWILUFF-RYUDHWBXSA-N 0 3 237.343 3.062 20 0 BGADHN CC(C)Cn1cc(CN(C(C)C)C2CCC2)cn1 ZINC000183354228 367016774 /nfs/dbraw/zinc/01/67/74/367016774.db2.gz TUOXOWQGMYAMJM-UHFFFAOYSA-N 0 3 249.402 3.302 20 0 BGADHN CC[C@H](NCC1(C2CC2)CCC1)c1nccn1C ZINC000183377723 367017808 /nfs/dbraw/zinc/01/78/08/367017808.db2.gz GFUHIUUZYPHXHO-ZDUSSCGKSA-N 0 3 247.386 3.041 20 0 BGADHN CC[C@@H](NCC1(C2CC2)CCC1)c1nccn1C ZINC000183377743 347125013 /nfs/dbraw/zinc/12/50/13/347125013.db2.gz GFUHIUUZYPHXHO-CYBMUJFWSA-N 0 3 247.386 3.041 20 0 BGADHN C[C@H](NCC(C)(C)C1CCCC1)c1nccn1C ZINC000183385990 347126060 /nfs/dbraw/zinc/12/60/60/347126060.db2.gz LPLCDZPKXANSPM-LBPRGKRZSA-N 0 3 249.402 3.287 20 0 BGADHN C[C@@H](NCC(C)(C)C1CCCC1)c1nccn1C ZINC000183386005 367019797 /nfs/dbraw/zinc/01/97/97/367019797.db2.gz LPLCDZPKXANSPM-GFCCVEGCSA-N 0 3 249.402 3.287 20 0 BGADHN C[C@@H](Cc1ccsc1)N(C)Cc1ccc[nH]1 ZINC000183391650 367020037 /nfs/dbraw/zinc/02/00/37/367020037.db2.gz QLXKAFRXLOXUGC-NSHDSACASA-N 0 3 234.368 3.139 20 0 BGADHN C[C@H](Cc1ccsc1)N(C)Cc1ccc[nH]1 ZINC000183391663 367019967 /nfs/dbraw/zinc/01/99/67/367019967.db2.gz QLXKAFRXLOXUGC-LLVKDONJSA-N 0 3 234.368 3.139 20 0 BGADHN C[C@H](NCC1CCC(C)(C)CC1)c1nccn1C ZINC000183402139 385540577 /nfs/dbraw/zinc/54/05/77/385540577.db2.gz PZZGCRXDDZFHEL-LBPRGKRZSA-N 0 3 249.402 3.287 20 0 BGADHN C[C@@H](NCC1CCC(C)(C)CC1)c1nccn1C ZINC000183402158 385541767 /nfs/dbraw/zinc/54/17/67/385541767.db2.gz PZZGCRXDDZFHEL-GFCCVEGCSA-N 0 3 249.402 3.287 20 0 BGADHN CC(C)Cn1cc(CN(C)[C@@H](C)C2(C)CC2)cn1 ZINC000183407258 367021499 /nfs/dbraw/zinc/02/14/99/367021499.db2.gz ZCZATVMCYQIHPK-ZDUSSCGKSA-N 0 3 249.402 3.160 20 0 BGADHN CC(C)Cn1cc(CN(C)[C@H](C)C2(C)CC2)cn1 ZINC000183407272 367020459 /nfs/dbraw/zinc/02/04/59/367020459.db2.gz ZCZATVMCYQIHPK-CYBMUJFWSA-N 0 3 249.402 3.160 20 0 BGADHN Cn1cc(CN2CCCC2)c(C2CCCCC2)n1 ZINC000183413325 538966687 /nfs/dbraw/zinc/96/66/87/538966687.db2.gz OLLIXZUVXRPSAT-UHFFFAOYSA-N 0 3 247.386 3.064 20 0 BGADHN CCN(CC)Cc1c(C2CC2)nc2sccn12 ZINC000183445160 385762829 /nfs/dbraw/zinc/76/28/29/385762829.db2.gz VVQPBSQXECMBFQ-UHFFFAOYSA-N 0 3 249.383 3.115 20 0 BGADHN CC[NH+](CC)Cc1cc(Cl)cc(C)c1[O-] ZINC000183445558 643127938 /nfs/dbraw/zinc/12/79/38/643127938.db2.gz VLISHOFEPSXZJM-UHFFFAOYSA-N 0 3 227.735 3.196 20 0 BGADHN Cn1cc(CN2CCCCCC2)c(C(C)(C)C)n1 ZINC000183452084 367024551 /nfs/dbraw/zinc/02/45/51/367024551.db2.gz MOGFFKWDZUDISS-UHFFFAOYSA-N 0 3 249.402 3.094 20 0 BGADHN CC[C@@H]1CCCCN1Cc1cccc2nccn21 ZINC000183453234 347127315 /nfs/dbraw/zinc/12/73/15/347127315.db2.gz KAWRKPYUGPUVLZ-CYBMUJFWSA-N 0 3 243.354 3.099 20 0 BGADHN CC[C@H]1CCCCN1Cc1cccc2nccn21 ZINC000183453253 385763807 /nfs/dbraw/zinc/76/38/07/385763807.db2.gz KAWRKPYUGPUVLZ-ZDUSSCGKSA-N 0 3 243.354 3.099 20 0 BGADHN CC(C)N(C)Cc1c(C2CC2)nc2sccn12 ZINC000183468774 385763377 /nfs/dbraw/zinc/76/33/77/385763377.db2.gz OHKHUWJINCJSRJ-UHFFFAOYSA-N 0 3 249.383 3.113 20 0 BGADHN Cc1cc(Cl)cc(C[N@H+](C)C(C)C)c1[O-] ZINC000183469073 632651791 /nfs/dbraw/zinc/65/17/91/632651791.db2.gz YBNZTKVDFJLMPI-UHFFFAOYSA-N 0 3 227.735 3.194 20 0 BGADHN Cc1cc(Cl)cc(C[N@@H+](C)C(C)C)c1[O-] ZINC000183469073 632651782 /nfs/dbraw/zinc/65/17/82/632651782.db2.gz YBNZTKVDFJLMPI-UHFFFAOYSA-N 0 3 227.735 3.194 20 0 BGADHN Cc1csc([C@H](NCC2CCC2)C2CC2)n1 ZINC000183490439 385548190 /nfs/dbraw/zinc/54/81/90/385548190.db2.gz BHMUTEYGNGSIRV-GFCCVEGCSA-N 0 3 236.384 3.292 20 0 BGADHN Cc1csc([C@@H](NCC2CCC2)C2CC2)n1 ZINC000183490457 385549112 /nfs/dbraw/zinc/54/91/12/385549112.db2.gz BHMUTEYGNGSIRV-LBPRGKRZSA-N 0 3 236.384 3.292 20 0 BGADHN CC(=O)CCN1CC[C@@H](c2cc(C)cc(C)c2)C1 ZINC000183492937 534725387 /nfs/dbraw/zinc/72/53/87/534725387.db2.gz NOHGYEUHNSBOBY-OAHLLOKOSA-N 0 3 245.366 3.072 20 0 BGADHN CC(=O)CCN1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000183492956 134351663 /nfs/dbraw/zinc/35/16/63/134351663.db2.gz NOHGYEUHNSBOBY-HNNXBMFYSA-N 0 3 245.366 3.072 20 0 BGADHN CCCC[C@@H](CC)CN(C)Cc1cnn(C)c1 ZINC000183584522 134354545 /nfs/dbraw/zinc/35/45/45/134354545.db2.gz UWBVPTZDZDZYKU-CYBMUJFWSA-N 0 3 237.391 3.068 20 0 BGADHN CCCC[C@H](CC)CN(C)Cc1cnn(C)c1 ZINC000183584543 134354353 /nfs/dbraw/zinc/35/43/53/134354353.db2.gz UWBVPTZDZDZYKU-ZDUSSCGKSA-N 0 3 237.391 3.068 20 0 BGADHN CCCC[C@@H](CC)CN(C)Cc1cnccn1 ZINC000183630599 347131733 /nfs/dbraw/zinc/13/17/33/347131733.db2.gz URZJZYRFQSLLAM-CYBMUJFWSA-N 0 3 235.375 3.125 20 0 BGADHN CCCC[C@H](CC)CN(C)Cc1cnccn1 ZINC000183630616 347131955 /nfs/dbraw/zinc/13/19/55/347131955.db2.gz URZJZYRFQSLLAM-ZDUSSCGKSA-N 0 3 235.375 3.125 20 0 BGADHN CC(C)=CCN[C@H](C)c1sc(C)nc1C ZINC000183631005 384539114 /nfs/dbraw/zinc/53/91/14/384539114.db2.gz BBPLEGNAFNTQPR-SECBINFHSA-N 0 3 224.373 3.377 20 0 BGADHN CC(C)=CCN[C@@H](C)c1sc(C)nc1C ZINC000183631020 384541498 /nfs/dbraw/zinc/54/14/98/384541498.db2.gz BBPLEGNAFNTQPR-VIFPVBQESA-N 0 3 224.373 3.377 20 0 BGADHN COc1cc([C@H](C)NCC=C(C)C)ccc1F ZINC000183631190 384541265 /nfs/dbraw/zinc/54/12/65/384541265.db2.gz JNYMVOXGHPQIHK-NSHDSACASA-N 0 3 237.318 3.451 20 0 BGADHN COc1cc([C@@H](C)NCC=C(C)C)ccc1F ZINC000183631211 384539954 /nfs/dbraw/zinc/53/99/54/384539954.db2.gz JNYMVOXGHPQIHK-LLVKDONJSA-N 0 3 237.318 3.451 20 0 BGADHN CN(Cc1cccnc1)CC1CCCCCC1 ZINC000183656417 134355337 /nfs/dbraw/zinc/35/53/37/134355337.db2.gz LRVIBKGBHONZOF-UHFFFAOYSA-N 0 3 232.371 3.484 20 0 BGADHN C[C@@H]1CCCC[C@@H]1CN(C)Cc1cccnc1 ZINC000183660447 367035258 /nfs/dbraw/zinc/03/52/58/367035258.db2.gz KGYNNCPIJGBDFO-UKRRQHHQSA-N 0 3 232.371 3.340 20 0 BGADHN C[C@H]1CCCC[C@@H]1CN(C)Cc1cccnc1 ZINC000183660464 367035647 /nfs/dbraw/zinc/03/56/47/367035647.db2.gz KGYNNCPIJGBDFO-DZGCQCFKSA-N 0 3 232.371 3.340 20 0 BGADHN C[C@@H]1CCCC[C@H]1CN(C)Cc1cccnc1 ZINC000183660484 367034980 /nfs/dbraw/zinc/03/49/80/367034980.db2.gz KGYNNCPIJGBDFO-HIFRSBDPSA-N 0 3 232.371 3.340 20 0 BGADHN C[C@H]1CCCC[C@H]1CN(C)Cc1cccnc1 ZINC000183660501 367035330 /nfs/dbraw/zinc/03/53/30/367035330.db2.gz KGYNNCPIJGBDFO-ZFWWWQNUSA-N 0 3 232.371 3.340 20 0 BGADHN Cc1cccc([C@@H](C)NCCOC(C)C)c1C ZINC000183707080 367040474 /nfs/dbraw/zinc/04/04/74/367040474.db2.gz AJYQSBWPLVBGMC-CQSZACIVSA-N 0 3 235.371 3.379 20 0 BGADHN Cc1cccc([C@H](C)NCCOC(C)C)c1C ZINC000183707099 367041348 /nfs/dbraw/zinc/04/13/48/367041348.db2.gz AJYQSBWPLVBGMC-AWEZNQCLSA-N 0 3 235.371 3.379 20 0 BGADHN Cc1ccc(C)c(CN(C)Cc2ccncc2)c1 ZINC000183745048 188169406 /nfs/dbraw/zinc/16/94/06/188169406.db2.gz VKZUWRILUGRANT-UHFFFAOYSA-N 0 3 240.350 3.330 20 0 BGADHN Cc1cccc(CN(C)Cc2ccncc2)c1C ZINC000183746576 179069410 /nfs/dbraw/zinc/06/94/10/179069410.db2.gz FYNBKDPVJAZARB-UHFFFAOYSA-N 0 3 240.350 3.330 20 0 BGADHN Cc1cccc(C)c1CN(C)Cc1ccncc1 ZINC000183749608 179033237 /nfs/dbraw/zinc/03/32/37/179033237.db2.gz YNGNGBAQJFYTPQ-UHFFFAOYSA-N 0 3 240.350 3.330 20 0 BGADHN CCC1(NCc2cccc(OC)c2F)CCC1 ZINC000183865593 487640441 /nfs/dbraw/zinc/64/04/41/487640441.db2.gz JOJGOUAKDSAMSR-UHFFFAOYSA-N 0 3 237.318 3.257 20 0 BGADHN CC[C@@H](CSC)N[C@@H]1CCCc2occc21 ZINC000183869995 134356865 /nfs/dbraw/zinc/35/68/65/134356865.db2.gz ORYRSFUPFHDVKP-CMPLNLGQSA-N 0 3 239.384 3.388 20 0 BGADHN CC[C@H](CSC)N[C@@H]1CCCc2occc21 ZINC000183870009 536126728 /nfs/dbraw/zinc/12/67/28/536126728.db2.gz ORYRSFUPFHDVKP-ZYHUDNBSSA-N 0 3 239.384 3.388 20 0 BGADHN CC[C@@H](CSC)N[C@H]1CCCc2occc21 ZINC000183870027 134356832 /nfs/dbraw/zinc/35/68/32/134356832.db2.gz ORYRSFUPFHDVKP-JQWIXIFHSA-N 0 3 239.384 3.388 20 0 BGADHN CC[C@H](CSC)N[C@H]1CCCc2occc21 ZINC000183870045 536126867 /nfs/dbraw/zinc/12/68/67/536126867.db2.gz ORYRSFUPFHDVKP-PWSUYJOCSA-N 0 3 239.384 3.388 20 0 BGADHN Cc1oc2ccccc2c1CNCc1cc[nH]c1 ZINC000183913651 388572565 /nfs/dbraw/zinc/57/25/65/388572565.db2.gz NZVDTCOXMAGLAZ-UHFFFAOYSA-N 0 3 240.306 3.359 20 0 BGADHN CCCCNC(C)(C)c1ncc(C)s1 ZINC000183918688 385380070 /nfs/dbraw/zinc/38/00/70/385380070.db2.gz PWRACXCAVVXFQA-UHFFFAOYSA-N 0 3 212.362 3.076 20 0 BGADHN CCCCCNC(C)(C)c1ncc(C)s1 ZINC000183918960 385383208 /nfs/dbraw/zinc/38/32/08/385383208.db2.gz QOTLDQKERFMQCC-UHFFFAOYSA-N 0 3 226.389 3.466 20 0 BGADHN Cc1cnc(C(C)(C)NCC2CCC2)s1 ZINC000183919198 385383872 /nfs/dbraw/zinc/38/38/72/385383872.db2.gz RFMHKGUYGHHSHA-UHFFFAOYSA-N 0 3 224.373 3.076 20 0 BGADHN CN(Cc1ccc(C(F)F)cc1)C1CC1 ZINC000183926309 385803197 /nfs/dbraw/zinc/80/31/97/385803197.db2.gz CDEMLGRZZOOFGJ-UHFFFAOYSA-N 0 3 211.255 3.218 20 0 BGADHN COC[C@H](C)N(C)Cc1ccc(C(F)F)cc1 ZINC000183927038 367058005 /nfs/dbraw/zinc/05/80/05/367058005.db2.gz VNKMLLGBMMMRFF-JTQLQIEISA-N 0 3 243.297 3.091 20 0 BGADHN COC[C@@H](C)N(C)Cc1ccc(C(F)F)cc1 ZINC000183927053 367057793 /nfs/dbraw/zinc/05/77/93/367057793.db2.gz VNKMLLGBMMMRFF-SNVBAGLBSA-N 0 3 243.297 3.091 20 0 BGADHN C[C@@H](CN(C)[C@H]1C=CCCC1)c1nccs1 ZINC000183931910 384541681 /nfs/dbraw/zinc/54/16/81/384541681.db2.gz UZLXCMCIXYYZLF-RYUDHWBXSA-N 0 3 236.384 3.287 20 0 BGADHN C[C@H](CN(C)[C@H]1C=CCCC1)c1nccs1 ZINC000183931927 384542936 /nfs/dbraw/zinc/54/29/36/384542936.db2.gz UZLXCMCIXYYZLF-NEPJUHHUSA-N 0 3 236.384 3.287 20 0 BGADHN Cc1cnc(C(C)(C)NCCC(C)C)s1 ZINC000183944253 323084929 /nfs/dbraw/zinc/08/49/29/323084929.db2.gz HVQVTMSIVJVLJK-UHFFFAOYSA-N 0 3 226.389 3.322 20 0 BGADHN COCCC(C)(C)CN[C@H](C)c1ccc(C)o1 ZINC000183944408 174143328 /nfs/dbraw/zinc/14/33/28/174143328.db2.gz YVXJZQGMWFGFJH-GFCCVEGCSA-N 0 3 239.359 3.301 20 0 BGADHN COCCC(C)(C)CN[C@@H](C)c1ccc(C)o1 ZINC000183944425 174144134 /nfs/dbraw/zinc/14/41/34/174144134.db2.gz YVXJZQGMWFGFJH-LBPRGKRZSA-N 0 3 239.359 3.301 20 0 BGADHN CSCCN(C)Cc1ccc(C(F)F)cc1 ZINC000183960823 347144443 /nfs/dbraw/zinc/14/44/43/347144443.db2.gz LFIOSBSXLADWES-UHFFFAOYSA-N 0 3 245.338 3.419 20 0 BGADHN CSCCCNC(C)(C)c1ncc(C)s1 ZINC000183965411 397913230 /nfs/dbraw/zinc/91/32/30/397913230.db2.gz ZAIWFXSKOOEZCN-UHFFFAOYSA-N 0 3 244.429 3.029 20 0 BGADHN CC(C)=CCN(C)C[C@H](C)c1nccs1 ZINC000183973347 384547218 /nfs/dbraw/zinc/54/72/18/384547218.db2.gz QYECIKHSNIMTAW-NSHDSACASA-N 0 3 224.373 3.145 20 0 BGADHN CC(C)=CCN(C)C[C@@H](C)c1nccs1 ZINC000183973363 384544439 /nfs/dbraw/zinc/54/44/39/384544439.db2.gz QYECIKHSNIMTAW-LLVKDONJSA-N 0 3 224.373 3.145 20 0 BGADHN C[C@H](NCCC[C@@H]1CCCCO1)c1ccccn1 ZINC000183983474 384545606 /nfs/dbraw/zinc/54/56/06/384545606.db2.gz LXAUOIBRTDAVLP-KBPBESRZSA-N 0 3 248.370 3.082 20 0 BGADHN C[C@@H](NCCC[C@@H]1CCCCO1)c1ccccn1 ZINC000183983490 384547012 /nfs/dbraw/zinc/54/70/12/384547012.db2.gz LXAUOIBRTDAVLP-KGLIPLIRSA-N 0 3 248.370 3.082 20 0 BGADHN C[C@H](NCCC[C@H]1CCCCO1)c1ccccn1 ZINC000183983506 384546066 /nfs/dbraw/zinc/54/60/66/384546066.db2.gz LXAUOIBRTDAVLP-UONOGXRCSA-N 0 3 248.370 3.082 20 0 BGADHN C[C@@H](NCCC[C@H]1CCCCO1)c1ccccn1 ZINC000183983527 384545850 /nfs/dbraw/zinc/54/58/50/384545850.db2.gz LXAUOIBRTDAVLP-ZIAGYGMSSA-N 0 3 248.370 3.082 20 0 BGADHN CCOCCN(C)Cc1ccc(C(F)F)cc1 ZINC000183986511 170390090 /nfs/dbraw/zinc/39/00/90/170390090.db2.gz DEBKKVQWVGYRDF-UHFFFAOYSA-N 0 3 243.297 3.093 20 0 BGADHN C[C@H](NCCC[C@@H]1CCCCO1)c1ccco1 ZINC000183987822 384547122 /nfs/dbraw/zinc/54/71/22/384547122.db2.gz IBSKFTWRBBPEIT-STQMWFEESA-N 0 3 237.343 3.280 20 0 BGADHN C[C@@H](NCCC[C@@H]1CCCCO1)c1ccco1 ZINC000183987843 384546486 /nfs/dbraw/zinc/54/64/86/384546486.db2.gz IBSKFTWRBBPEIT-OLZOCXBDSA-N 0 3 237.343 3.280 20 0 BGADHN C[C@H](NCCC[C@H]1CCCCO1)c1ccco1 ZINC000183987855 384546776 /nfs/dbraw/zinc/54/67/76/384546776.db2.gz IBSKFTWRBBPEIT-QWHCGFSZSA-N 0 3 237.343 3.280 20 0 BGADHN C[C@@H](NCCC[C@H]1CCCCO1)c1ccco1 ZINC000183987877 384545329 /nfs/dbraw/zinc/54/53/29/384545329.db2.gz IBSKFTWRBBPEIT-CHWSQXEVSA-N 0 3 237.343 3.280 20 0 BGADHN C[C@H](NCCC[C@@H]1CCCCO1)c1ccoc1 ZINC000183996313 367060225 /nfs/dbraw/zinc/06/02/25/367060225.db2.gz GBSWVZOFAUZHFU-JSGCOSHPSA-N 0 3 237.343 3.280 20 0 BGADHN C[C@@H](NCCC[C@@H]1CCCCO1)c1ccoc1 ZINC000183996329 367060559 /nfs/dbraw/zinc/06/05/59/367060559.db2.gz GBSWVZOFAUZHFU-OCCSQVGLSA-N 0 3 237.343 3.280 20 0 BGADHN C[C@H](NCCC[C@H]1CCCCO1)c1ccoc1 ZINC000183996344 367060661 /nfs/dbraw/zinc/06/06/61/367060661.db2.gz GBSWVZOFAUZHFU-GXTWGEPZSA-N 0 3 237.343 3.280 20 0 BGADHN C[C@@H](NCCC[C@H]1CCCCO1)c1ccoc1 ZINC000183996362 367060094 /nfs/dbraw/zinc/06/00/94/367060094.db2.gz GBSWVZOFAUZHFU-TZMCWYRMSA-N 0 3 237.343 3.280 20 0 BGADHN C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc([O-])cc(F)c1 ZINC000184132126 134359043 /nfs/dbraw/zinc/35/90/43/134359043.db2.gz MVRGAOXDHWLMHI-YGRLFVJLSA-N 0 3 237.318 3.200 20 0 BGADHN C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc([O-])cc(F)c1 ZINC000184132142 134358980 /nfs/dbraw/zinc/35/89/80/134358980.db2.gz MVRGAOXDHWLMHI-HZMBPMFUSA-N 0 3 237.318 3.200 20 0 BGADHN C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc([O-])cc(F)c1 ZINC000184132157 134358899 /nfs/dbraw/zinc/35/88/99/134358899.db2.gz MVRGAOXDHWLMHI-QMTHXVAHSA-N 0 3 237.318 3.200 20 0 BGADHN C[C@H]1CCCC[C@H]1[NH2+]Cc1cc([O-])cc(F)c1 ZINC000184132172 134358888 /nfs/dbraw/zinc/35/88/88/134358888.db2.gz MVRGAOXDHWLMHI-IINYFYTJSA-N 0 3 237.318 3.200 20 0 BGADHN [O-]c1cc(F)cc(C[NH2+]C2CCCCCC2)c1 ZINC000184133039 397982014 /nfs/dbraw/zinc/98/20/14/397982014.db2.gz QEQVMFMKOYTTDR-UHFFFAOYSA-N 0 3 237.318 3.344 20 0 BGADHN C[C@@H]1CCC[C@H]([NH2+]Cc2cc([O-])cc(F)c2)C1 ZINC000184135573 134359237 /nfs/dbraw/zinc/35/92/37/134359237.db2.gz HBSUORIJMUGCCN-MFKMUULPSA-N 0 3 237.318 3.200 20 0 BGADHN C[C@H]1CCC[C@H]([NH2+]Cc2cc([O-])cc(F)c2)C1 ZINC000184135585 134359045 /nfs/dbraw/zinc/35/90/45/134359045.db2.gz HBSUORIJMUGCCN-GWCFXTLKSA-N 0 3 237.318 3.200 20 0 BGADHN C[C@@H]1CCC[C@@H]([NH2+]Cc2cc([O-])cc(F)c2)C1 ZINC000184135602 134359209 /nfs/dbraw/zinc/35/92/09/134359209.db2.gz HBSUORIJMUGCCN-ZWNOBZJWSA-N 0 3 237.318 3.200 20 0 BGADHN C[C@H]1CCC[C@@H]([NH2+]Cc2cc([O-])cc(F)c2)C1 ZINC000184135613 134359028 /nfs/dbraw/zinc/35/90/28/134359028.db2.gz HBSUORIJMUGCCN-GXFFZTMASA-N 0 3 237.318 3.200 20 0 BGADHN [O-]c1cc(F)cc(C[NH2+]CCC2CCCC2)c1 ZINC000184139772 134358989 /nfs/dbraw/zinc/35/89/89/134358989.db2.gz KUGJFHDAFSZDBS-UHFFFAOYSA-N 0 3 237.318 3.201 20 0 BGADHN CC1([NH2+]Cc2cc([O-])cc(F)c2)CCCCC1 ZINC000184141808 535187619 /nfs/dbraw/zinc/18/76/19/535187619.db2.gz ICZZSZMQYJUVHO-UHFFFAOYSA-N 0 3 237.318 3.344 20 0 BGADHN CC1(C[NH2+]Cc2cc([O-])cc(F)c2)CCCC1 ZINC000184142723 535152867 /nfs/dbraw/zinc/15/28/67/535152867.db2.gz VIGUIJYCLRHZDN-UHFFFAOYSA-N 0 3 237.318 3.201 20 0 BGADHN C[C@H]([NH2+]Cc1cc([O-])cc(F)c1)C1CCCC1 ZINC000184142807 134359004 /nfs/dbraw/zinc/35/90/04/134359004.db2.gz ZGAYDDRHSDVSKI-JTQLQIEISA-N 0 3 237.318 3.200 20 0 BGADHN C[C@@H]([NH2+]Cc1cc([O-])cc(F)c1)C1CCCC1 ZINC000184142824 134358901 /nfs/dbraw/zinc/35/89/01/134358901.db2.gz ZGAYDDRHSDVSKI-SNVBAGLBSA-N 0 3 237.318 3.200 20 0 BGADHN CC1(C)CCC[C@@H]1[NH2+]Cc1cc([O-])cc(F)c1 ZINC000184143624 134359130 /nfs/dbraw/zinc/35/91/30/134359130.db2.gz BBIHQIHUNSBTKA-ZDUSSCGKSA-N 0 3 237.318 3.200 20 0 BGADHN CC1(C)CCC[C@H]1[NH2+]Cc1cc([O-])cc(F)c1 ZINC000184143637 535308119 /nfs/dbraw/zinc/30/81/19/535308119.db2.gz BBIHQIHUNSBTKA-CYBMUJFWSA-N 0 3 237.318 3.200 20 0 BGADHN C[N@@H+](Cc1cc([O-])cc(F)c1)C1CCCCC1 ZINC000184147627 347151118 /nfs/dbraw/zinc/15/11/18/347151118.db2.gz SQAAIXRCXDJECX-UHFFFAOYSA-N 0 3 237.318 3.296 20 0 BGADHN C[N@H+](Cc1cc([O-])cc(F)c1)C1CCCCC1 ZINC000184147627 347151114 /nfs/dbraw/zinc/15/11/14/347151114.db2.gz SQAAIXRCXDJECX-UHFFFAOYSA-N 0 3 237.318 3.296 20 0 BGADHN CC[N@@H+](Cc1cc([O-])cc(F)c1)C1CCCC1 ZINC000184148027 134358966 /nfs/dbraw/zinc/35/89/66/134358966.db2.gz NUVZRPPBXFVEBS-UHFFFAOYSA-N 0 3 237.318 3.296 20 0 BGADHN CC[N@H+](Cc1cc([O-])cc(F)c1)C1CCCC1 ZINC000184148027 134358965 /nfs/dbraw/zinc/35/89/65/134358965.db2.gz NUVZRPPBXFVEBS-UHFFFAOYSA-N 0 3 237.318 3.296 20 0 BGADHN CCCCN[C@@H](COCC(C)C)c1ccco1 ZINC000184148125 367066118 /nfs/dbraw/zinc/06/61/18/367066118.db2.gz XUAJKNZTQVUILD-ZDUSSCGKSA-N 0 3 239.359 3.383 20 0 BGADHN CCCCN[C@H](COCC(C)C)c1ccco1 ZINC000184148143 367066012 /nfs/dbraw/zinc/06/60/12/367066012.db2.gz XUAJKNZTQVUILD-CYBMUJFWSA-N 0 3 239.359 3.383 20 0 BGADHN C[N@H+](Cc1cc([O-])cc(F)c1)CC1CCCC1 ZINC000184150257 134358875 /nfs/dbraw/zinc/35/88/75/134358875.db2.gz DQTLVNQAMIFNSK-UHFFFAOYSA-N 0 3 237.318 3.153 20 0 BGADHN C[N@@H+](Cc1cc([O-])cc(F)c1)CC1CCCC1 ZINC000184150257 134358874 /nfs/dbraw/zinc/35/88/74/134358874.db2.gz DQTLVNQAMIFNSK-UHFFFAOYSA-N 0 3 237.318 3.153 20 0 BGADHN [O-]c1cc(F)cc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)c1 ZINC000184150367 134358905 /nfs/dbraw/zinc/35/89/05/134358905.db2.gz FAYJRGQMQHVHOZ-DOMZBBRYSA-N 0 3 249.329 3.296 20 0 BGADHN [O-]c1cc(F)cc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)c1 ZINC000184150367 134358904 /nfs/dbraw/zinc/35/89/04/134358904.db2.gz FAYJRGQMQHVHOZ-DOMZBBRYSA-N 0 3 249.329 3.296 20 0 BGADHN [O-]c1cc(F)cc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c1 ZINC000184150386 134358886 /nfs/dbraw/zinc/35/88/86/134358886.db2.gz FAYJRGQMQHVHOZ-WFASDCNBSA-N 0 3 249.329 3.296 20 0 BGADHN [O-]c1cc(F)cc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)c1 ZINC000184150386 134358885 /nfs/dbraw/zinc/35/88/85/134358885.db2.gz FAYJRGQMQHVHOZ-WFASDCNBSA-N 0 3 249.329 3.296 20 0 BGADHN C/C(=C\c1ccccc1)CNCCOC(C)C ZINC000184156303 384571190 /nfs/dbraw/zinc/57/11/90/384571190.db2.gz VXVBNNYTUAOZSY-SDNWHVSQSA-N 0 3 233.355 3.105 20 0 BGADHN CCC[C@@H]1CCCCN1Cc1cncs1 ZINC000184232089 384583556 /nfs/dbraw/zinc/58/35/56/384583556.db2.gz MKLGSRWMHPVJCY-LLVKDONJSA-N 0 3 224.373 3.298 20 0 BGADHN CCC[C@H]1CCCCN1Cc1cncs1 ZINC000184232105 384583452 /nfs/dbraw/zinc/58/34/52/384583452.db2.gz MKLGSRWMHPVJCY-NSHDSACASA-N 0 3 224.373 3.298 20 0 BGADHN CCC[C@@H]1CCCCN1Cc1cnn(CC)c1 ZINC000184232415 535410017 /nfs/dbraw/zinc/41/00/17/535410017.db2.gz ZCVQLRLGPZGUSI-CQSZACIVSA-N 0 3 235.375 3.058 20 0 BGADHN CCC[C@H]1CCCCN1Cc1cnn(CC)c1 ZINC000184232432 134361103 /nfs/dbraw/zinc/36/11/03/134361103.db2.gz ZCVQLRLGPZGUSI-AWEZNQCLSA-N 0 3 235.375 3.058 20 0 BGADHN CCC[C@@H]1CCCCN1Cc1cnn(CCC)c1 ZINC000184233955 535409807 /nfs/dbraw/zinc/40/98/07/535409807.db2.gz CXQWVKQMKZUPLN-OAHLLOKOSA-N 0 3 249.402 3.448 20 0 BGADHN CCC[C@H]1CCCCN1Cc1cnn(CCC)c1 ZINC000184233975 134361058 /nfs/dbraw/zinc/36/10/58/134361058.db2.gz CXQWVKQMKZUPLN-HNNXBMFYSA-N 0 3 249.402 3.448 20 0 BGADHN CCC[C@@H]1CCCCN1Cc1ccnn1CC ZINC000184234150 535409142 /nfs/dbraw/zinc/40/91/42/535409142.db2.gz GRLILXUDUOKFKE-CYBMUJFWSA-N 0 3 235.375 3.058 20 0 BGADHN CCC[C@H]1CCCCN1Cc1ccnn1CC ZINC000184234169 134361183 /nfs/dbraw/zinc/36/11/83/134361183.db2.gz GRLILXUDUOKFKE-ZDUSSCGKSA-N 0 3 235.375 3.058 20 0 BGADHN Cc1cncc([C@@H](C)NCc2ccc(F)cc2)c1 ZINC000184248807 179685646 /nfs/dbraw/zinc/68/56/46/179685646.db2.gz KDLNQLKDUKWXDB-GFCCVEGCSA-N 0 3 244.313 3.380 20 0 BGADHN Cc1cncc([C@H](C)NCc2ccc(F)cc2)c1 ZINC000184248832 384581465 /nfs/dbraw/zinc/58/14/65/384581465.db2.gz KDLNQLKDUKWXDB-LBPRGKRZSA-N 0 3 244.313 3.380 20 0 BGADHN Cc1cncc([C@@H](C)NCc2ccccc2)c1 ZINC000184253323 384585667 /nfs/dbraw/zinc/58/56/67/384585667.db2.gz NULIQIQTNLNCOZ-CYBMUJFWSA-N 0 3 226.323 3.241 20 0 BGADHN Cc1cncc([C@H](C)NCc2ccccc2)c1 ZINC000184253339 384586212 /nfs/dbraw/zinc/58/62/12/384586212.db2.gz NULIQIQTNLNCOZ-ZDUSSCGKSA-N 0 3 226.323 3.241 20 0 BGADHN Cc1cncc([C@@H](C)NCc2cccs2)c1 ZINC000184257006 385669122 /nfs/dbraw/zinc/66/91/22/385669122.db2.gz UDHMLKHWRJNKET-LLVKDONJSA-N 0 3 232.352 3.302 20 0 BGADHN Cc1cncc([C@H](C)NCc2cccs2)c1 ZINC000184257023 385669174 /nfs/dbraw/zinc/66/91/74/385669174.db2.gz UDHMLKHWRJNKET-NSHDSACASA-N 0 3 232.352 3.302 20 0 BGADHN CSCCN(Cc1ccc(F)cc1)C1CC1 ZINC000184286656 367072239 /nfs/dbraw/zinc/07/22/39/367072239.db2.gz FABOAWQBWZBBBW-UHFFFAOYSA-N 0 3 239.359 3.153 20 0 BGADHN Fc1cccc(NCCCNCc2ccco2)c1 ZINC000184287218 181001713 /nfs/dbraw/zinc/00/17/13/181001713.db2.gz TTXUFFDOYPKUBS-UHFFFAOYSA-N 0 3 248.301 3.011 20 0 BGADHN CCCCN[C@@H](CC)c1nc(C)cs1 ZINC000184342639 398032910 /nfs/dbraw/zinc/03/29/10/398032910.db2.gz DRDFOLJIUPBRHV-JTQLQIEISA-N 0 3 212.362 3.292 20 0 BGADHN CCCCN[C@H](CC)c1nc(C)cs1 ZINC000184342657 398032677 /nfs/dbraw/zinc/03/26/77/398032677.db2.gz DRDFOLJIUPBRHV-SNVBAGLBSA-N 0 3 212.362 3.292 20 0 BGADHN CC[C@H](NCC1CCC1)c1nc(C)cs1 ZINC000184343346 398033529 /nfs/dbraw/zinc/03/35/29/398033529.db2.gz AOHPJPZTFCCBCB-NSHDSACASA-N 0 3 224.373 3.292 20 0 BGADHN CC[C@@H](NCC1CCC1)c1nc(C)cs1 ZINC000184343365 398033827 /nfs/dbraw/zinc/03/38/27/398033827.db2.gz AOHPJPZTFCCBCB-LLVKDONJSA-N 0 3 224.373 3.292 20 0 BGADHN C[C@@H](c1cnccn1)N(C)CC1CCCCC1 ZINC000184395128 176036098 /nfs/dbraw/zinc/03/60/98/176036098.db2.gz WTKKUELGTHRGMQ-LBPRGKRZSA-N 0 3 233.359 3.050 20 0 BGADHN C[C@H](c1cnccn1)N(C)CC1CCCCC1 ZINC000184395147 177051495 /nfs/dbraw/zinc/05/14/95/177051495.db2.gz WTKKUELGTHRGMQ-GFCCVEGCSA-N 0 3 233.359 3.050 20 0 BGADHN CC[C@H](NCCCSC)c1nc(C)cs1 ZINC000184406392 385646740 /nfs/dbraw/zinc/64/67/40/385646740.db2.gz SAGHGZPHARDGIC-JTQLQIEISA-N 0 3 244.429 3.245 20 0 BGADHN CC[C@@H](NCCCSC)c1nc(C)cs1 ZINC000184406407 385647391 /nfs/dbraw/zinc/64/73/91/385647391.db2.gz SAGHGZPHARDGIC-SNVBAGLBSA-N 0 3 244.429 3.245 20 0 BGADHN CCSCCN[C@@H](CC)c1nc(C)cs1 ZINC000184411681 385649204 /nfs/dbraw/zinc/64/92/04/385649204.db2.gz FHJIQLQONBDCBB-JTQLQIEISA-N 0 3 244.429 3.245 20 0 BGADHN CCSCCN[C@H](CC)c1nc(C)cs1 ZINC000184411696 385649590 /nfs/dbraw/zinc/64/95/90/385649590.db2.gz FHJIQLQONBDCBB-SNVBAGLBSA-N 0 3 244.429 3.245 20 0 BGADHN CC/C=C/CCN1CCc2sccc2C1 ZINC000184415926 388576989 /nfs/dbraw/zinc/57/69/89/388576989.db2.gz RJLMGCVPQQDARA-ONEGZZNKSA-N 0 3 221.369 3.463 20 0 BGADHN CC/C=C/CCN(C)Cc1ccc(C)o1 ZINC000184420428 388578393 /nfs/dbraw/zinc/57/83/93/388578393.db2.gz YCNDRPFSQCLLQV-AATRIKPKSA-N 0 3 207.317 3.376 20 0 BGADHN CC/C=C/CCN(C)Cc1c(C)noc1C ZINC000184439157 634007375 /nfs/dbraw/zinc/00/73/75/634007375.db2.gz SJTBZMGEJQQWSJ-VOTSOKGWSA-N 0 3 222.332 3.080 20 0 BGADHN CC/C=C/CCN(CCOC)Cc1ccco1 ZINC000184440415 384605976 /nfs/dbraw/zinc/60/59/76/384605976.db2.gz QFJBRUGAVUPURT-SNAWJCMRSA-N 0 3 237.343 3.084 20 0 BGADHN CCC(CC)CN(CC)[C@@H](C)c1cnccn1 ZINC000184441958 168350681 /nfs/dbraw/zinc/35/06/81/168350681.db2.gz FMPJRFNFZSTXBA-LBPRGKRZSA-N 0 3 235.375 3.296 20 0 BGADHN CCC(CC)CN(CC)[C@H](C)c1cnccn1 ZINC000184441978 168351211 /nfs/dbraw/zinc/35/12/11/168351211.db2.gz FMPJRFNFZSTXBA-GFCCVEGCSA-N 0 3 235.375 3.296 20 0 BGADHN CC1CC(NC2(c3cccc(F)c3)CC2)C1 ZINC000184445668 385660542 /nfs/dbraw/zinc/66/05/42/385660542.db2.gz AISYNBGKGRAPNN-UHFFFAOYSA-N 0 3 219.303 3.203 20 0 BGADHN CC1CC(NC2(c3ccccc3F)CC2)C1 ZINC000184445786 385660051 /nfs/dbraw/zinc/66/00/51/385660051.db2.gz PFMAZQIBINFNNZ-UHFFFAOYSA-N 0 3 219.303 3.203 20 0 BGADHN CC/C=C/CCN(C)Cc1cnc(C)s1 ZINC000184454393 167841807 /nfs/dbraw/zinc/84/18/07/167841807.db2.gz IWYRBHDIEYPLPH-AATRIKPKSA-N 0 3 224.373 3.240 20 0 BGADHN CC/C=C/CCN(C)Cc1ccoc1C ZINC000184469991 388578081 /nfs/dbraw/zinc/57/80/81/388578081.db2.gz JCDPPMHHFQTQNY-AATRIKPKSA-N 0 3 207.317 3.376 20 0 BGADHN CC1CC(NCc2ccc(OC(C)(C)C)nc2)C1 ZINC000184479629 388578511 /nfs/dbraw/zinc/57/85/11/388578511.db2.gz AGLXNXWKZKITSL-UHFFFAOYSA-N 0 3 248.370 3.147 20 0 BGADHN CC[C@H](NC[C@@H](C)OC)c1ccc(Cl)s1 ZINC000184497270 187228560 /nfs/dbraw/zinc/22/85/60/187228560.db2.gz SVLCMWUXPWQVFW-BDAKNGLRSA-N 0 3 247.791 3.477 20 0 BGADHN CC[C@@H](NC[C@@H](C)OC)c1ccc(Cl)s1 ZINC000184497287 385667219 /nfs/dbraw/zinc/66/72/19/385667219.db2.gz SVLCMWUXPWQVFW-RKDXNWHRSA-N 0 3 247.791 3.477 20 0 BGADHN CC[C@H](NC[C@H](C)OC)c1ccc(Cl)s1 ZINC000184497304 385666603 /nfs/dbraw/zinc/66/66/03/385666603.db2.gz SVLCMWUXPWQVFW-IUCAKERBSA-N 0 3 247.791 3.477 20 0 BGADHN CC[C@@H](NC[C@H](C)OC)c1ccc(Cl)s1 ZINC000184497320 349249489 /nfs/dbraw/zinc/24/94/89/349249489.db2.gz SVLCMWUXPWQVFW-DTWKUNHWSA-N 0 3 247.791 3.477 20 0 BGADHN C[C@@H](c1cnccn1)N(C)CCC1CCCCC1 ZINC000184499845 176034970 /nfs/dbraw/zinc/03/49/70/176034970.db2.gz RITGPDQFIBHPKX-ZDUSSCGKSA-N 0 3 247.386 3.440 20 0 BGADHN C[C@H](c1cnccn1)N(C)CCC1CCCCC1 ZINC000184499855 177051358 /nfs/dbraw/zinc/05/13/58/177051358.db2.gz RITGPDQFIBHPKX-CYBMUJFWSA-N 0 3 247.386 3.440 20 0 BGADHN C[C@H](NCCCF)c1nc(C(C)(C)C)cs1 ZINC000184500622 385669806 /nfs/dbraw/zinc/66/98/06/385669806.db2.gz XISKXKGUWPDSDT-VIFPVBQESA-N 0 3 244.379 3.451 20 0 BGADHN C[C@@H](NCCCF)c1nc(C(C)(C)C)cs1 ZINC000184500640 385670144 /nfs/dbraw/zinc/67/01/44/385670144.db2.gz XISKXKGUWPDSDT-SECBINFHSA-N 0 3 244.379 3.451 20 0 BGADHN CC/C=C/CCN1Cc2ccccc2C1 ZINC000184534185 388579016 /nfs/dbraw/zinc/57/90/16/388579016.db2.gz KSFVXBYKVSCIIY-ONEGZZNKSA-N 0 3 201.313 3.359 20 0 BGADHN CC/C=C/CCN(C)Cc1scnc1C ZINC000184541542 384616926 /nfs/dbraw/zinc/61/69/26/384616926.db2.gz HDQWAPHVXGHIJO-AATRIKPKSA-N 0 3 224.373 3.240 20 0 BGADHN CC(C)[C@@H]1CCCN([C@@H](C)c2cnccn2)CC1 ZINC000184557494 188168989 /nfs/dbraw/zinc/16/89/89/188168989.db2.gz KTAJUIUNCYSDGN-UONOGXRCSA-N 0 3 247.386 3.296 20 0 BGADHN CC(C)[C@H]1CCCN([C@@H](C)c2cnccn2)CC1 ZINC000184557511 188346717 /nfs/dbraw/zinc/34/67/17/188346717.db2.gz KTAJUIUNCYSDGN-KBPBESRZSA-N 0 3 247.386 3.296 20 0 BGADHN C[C@@H](c1cnccn1)N1CCC(C(C)(C)C)CC1 ZINC000184559472 176035527 /nfs/dbraw/zinc/03/55/27/176035527.db2.gz WWAUFFLHIFXBQS-LBPRGKRZSA-N 0 3 247.386 3.296 20 0 BGADHN C[C@H](c1cnccn1)N1CCC(C(C)(C)C)CC1 ZINC000184559488 177051443 /nfs/dbraw/zinc/05/14/43/177051443.db2.gz WWAUFFLHIFXBQS-GFCCVEGCSA-N 0 3 247.386 3.296 20 0 BGADHN CC[C@@H]1CCCN([C@@H](C)c2cnccn2)CC1 ZINC000184561198 347166816 /nfs/dbraw/zinc/16/68/16/347166816.db2.gz IPBYHXQMZYPOLI-QWHCGFSZSA-N 0 3 233.359 3.050 20 0 BGADHN CC[C@H]1CCCN([C@@H](C)c2cnccn2)CC1 ZINC000184561219 384618150 /nfs/dbraw/zinc/61/81/50/384618150.db2.gz IPBYHXQMZYPOLI-STQMWFEESA-N 0 3 233.359 3.050 20 0 BGADHN Cc1csc(CN[C@@H](C)CCC2CC2)n1 ZINC000184566819 187654955 /nfs/dbraw/zinc/65/49/55/187654955.db2.gz WDRVFQGAAYAOJH-VIFPVBQESA-N 0 3 224.373 3.120 20 0 BGADHN Cc1csc(CN[C@H](C)CCC2CC2)n1 ZINC000184566838 398042995 /nfs/dbraw/zinc/04/29/95/398042995.db2.gz WDRVFQGAAYAOJH-SECBINFHSA-N 0 3 224.373 3.120 20 0 BGADHN CCc1nc(CN[C@@H](C)CCC2CC2)cs1 ZINC000184566938 398043330 /nfs/dbraw/zinc/04/33/30/398043330.db2.gz AHVJEOYVHLVYIK-JTQLQIEISA-N 0 3 238.400 3.374 20 0 BGADHN CCc1nc(CN[C@H](C)CCC2CC2)cs1 ZINC000184566955 398043244 /nfs/dbraw/zinc/04/32/44/398043244.db2.gz AHVJEOYVHLVYIK-SNVBAGLBSA-N 0 3 238.400 3.374 20 0 BGADHN C[C@@H](CCC1CC1)NCc1cccc2c1OCO2 ZINC000184567156 323090676 /nfs/dbraw/zinc/09/06/76/323090676.db2.gz XCRUMPFFXROJQS-NSHDSACASA-N 0 3 247.338 3.084 20 0 BGADHN C[C@H](CCC1CC1)NCc1cccc2c1OCO2 ZINC000184567180 388579758 /nfs/dbraw/zinc/57/97/58/388579758.db2.gz XCRUMPFFXROJQS-LLVKDONJSA-N 0 3 247.338 3.084 20 0 BGADHN CCc1cnc(CN[C@@H](C)CCC2CC2)s1 ZINC000184568835 385677952 /nfs/dbraw/zinc/67/79/52/385677952.db2.gz PKUHTTITTFAUDM-JTQLQIEISA-N 0 3 238.400 3.374 20 0 BGADHN CCc1cnc(CN[C@H](C)CCC2CC2)s1 ZINC000184568854 385677905 /nfs/dbraw/zinc/67/79/05/385677905.db2.gz PKUHTTITTFAUDM-SNVBAGLBSA-N 0 3 238.400 3.374 20 0 BGADHN C[C@@H](CCC1CC1)NCc1ccccc1F ZINC000184569191 385677925 /nfs/dbraw/zinc/67/79/25/385677925.db2.gz HGIXQSKSVOBRQZ-NSHDSACASA-N 0 3 221.319 3.494 20 0 BGADHN C[C@H](CCC1CC1)NCc1ccccc1F ZINC000184569213 385678685 /nfs/dbraw/zinc/67/86/85/385678685.db2.gz HGIXQSKSVOBRQZ-LLVKDONJSA-N 0 3 221.319 3.494 20 0 BGADHN C[C@H](NCCC1=CCCCCC1)c1nccn1C ZINC000184574791 388579572 /nfs/dbraw/zinc/57/95/72/388579572.db2.gz ZGXACSRGGYXIKR-ZDUSSCGKSA-N 0 3 247.386 3.351 20 0 BGADHN C[C@@H](NCCC1=CCCCCC1)c1nccn1C ZINC000184574811 388579597 /nfs/dbraw/zinc/57/95/97/388579597.db2.gz ZGXACSRGGYXIKR-CYBMUJFWSA-N 0 3 247.386 3.351 20 0 BGADHN C[C@@H](c1cnccn1)N1CCCC(C)(C)CC1 ZINC000184576517 176035006 /nfs/dbraw/zinc/03/50/06/176035006.db2.gz AFPWDLBRVZTGGU-LBPRGKRZSA-N 0 3 233.359 3.050 20 0 BGADHN C[C@H](c1cnccn1)N1CCCC(C)(C)CC1 ZINC000184576534 177051312 /nfs/dbraw/zinc/05/13/12/177051312.db2.gz AFPWDLBRVZTGGU-GFCCVEGCSA-N 0 3 233.359 3.050 20 0 BGADHN CCCCCCN[C@@H](COC)c1ccco1 ZINC000184576940 385678218 /nfs/dbraw/zinc/67/82/18/385678218.db2.gz QILAQSITISTYBK-LBPRGKRZSA-N 0 3 225.332 3.137 20 0 BGADHN CCCCCCN[C@H](COC)c1ccco1 ZINC000184576958 385677730 /nfs/dbraw/zinc/67/77/30/385677730.db2.gz QILAQSITISTYBK-GFCCVEGCSA-N 0 3 225.332 3.137 20 0 BGADHN COC[C@H](NCCC1CCCC1)c1ccco1 ZINC000184577102 384622406 /nfs/dbraw/zinc/62/24/06/384622406.db2.gz BOPMPLXHZKQOAD-ZDUSSCGKSA-N 0 3 237.343 3.137 20 0 BGADHN COC[C@@H](NCCC1CCCC1)c1ccco1 ZINC000184577116 384621749 /nfs/dbraw/zinc/62/17/49/384621749.db2.gz BOPMPLXHZKQOAD-CYBMUJFWSA-N 0 3 237.343 3.137 20 0 BGADHN C[C@@H](c1cnccn1)N1CCC2(C1)CCCCC2 ZINC000184577253 176036004 /nfs/dbraw/zinc/03/60/04/176036004.db2.gz KAZANUDHFASKKS-ZDUSSCGKSA-N 0 3 245.370 3.194 20 0 BGADHN C[C@H](c1cnccn1)N1CCC2(C1)CCCCC2 ZINC000184577273 177051793 /nfs/dbraw/zinc/05/17/93/177051793.db2.gz KAZANUDHFASKKS-CYBMUJFWSA-N 0 3 245.370 3.194 20 0 BGADHN CC[C@]1(C)CCCN([C@@H](C)c2cnccn2)C1 ZINC000184587215 384622030 /nfs/dbraw/zinc/62/20/30/384622030.db2.gz AKUBELCJGCTZEC-GXTWGEPZSA-N 0 3 233.359 3.050 20 0 BGADHN CC[C@@]1(C)CCCN([C@@H](C)c2cnccn2)C1 ZINC000184587229 171198689 /nfs/dbraw/zinc/19/86/89/171198689.db2.gz AKUBELCJGCTZEC-JSGCOSHPSA-N 0 3 233.359 3.050 20 0 BGADHN C[C@@H]1CCCC[C@@H]1NCc1noc2c1CCCC2 ZINC000184589885 367085092 /nfs/dbraw/zinc/08/50/92/367085092.db2.gz BMRGUZNSCNRITN-YPMHNXCESA-N 0 3 248.370 3.222 20 0 BGADHN C[C@H]1CCCC[C@@H]1NCc1noc2c1CCCC2 ZINC000184589905 367084945 /nfs/dbraw/zinc/08/49/45/367084945.db2.gz BMRGUZNSCNRITN-AAEUAGOBSA-N 0 3 248.370 3.222 20 0 BGADHN C[C@@H]1CCCC[C@H]1NCc1noc2c1CCCC2 ZINC000184589926 367084644 /nfs/dbraw/zinc/08/46/44/367084644.db2.gz BMRGUZNSCNRITN-DGCLKSJQSA-N 0 3 248.370 3.222 20 0 BGADHN C[C@H]1CCCC[C@H]1NCc1noc2c1CCCC2 ZINC000184589946 367084770 /nfs/dbraw/zinc/08/47/70/367084770.db2.gz BMRGUZNSCNRITN-WCQYABFASA-N 0 3 248.370 3.222 20 0 BGADHN CCC[C@]1(C)CCCN([C@@H](C)c2cnccn2)C1 ZINC000184591515 384623465 /nfs/dbraw/zinc/62/34/65/384623465.db2.gz NITLTSGBJCKUQS-DZGCQCFKSA-N 0 3 247.386 3.440 20 0 BGADHN CCC[C@@]1(C)CCCN([C@@H](C)c2cnccn2)C1 ZINC000184591534 384622593 /nfs/dbraw/zinc/62/25/93/384622593.db2.gz NITLTSGBJCKUQS-ZFWWWQNUSA-N 0 3 247.386 3.440 20 0 BGADHN CC/C=C/CCN(C)Cc1ccc(OC)c(O)c1 ZINC000184612166 384627012 /nfs/dbraw/zinc/62/70/12/384627012.db2.gz LLCSOMOUIHZNDM-AATRIKPKSA-N 0 3 249.354 3.189 20 0 BGADHN CC/C=C/CCN(CC)Cc1ccccn1 ZINC000184614727 384625551 /nfs/dbraw/zinc/62/55/51/384625551.db2.gz VJXZEOOPZJPRRZ-AATRIKPKSA-N 0 3 218.344 3.260 20 0 BGADHN CC/C=C/CCN(C)Cc1cc(Cl)cn1C ZINC000184614898 388580986 /nfs/dbraw/zinc/58/09/86/388580986.db2.gz AUYKIIMUMBRBHL-AATRIKPKSA-N 0 3 240.778 3.467 20 0 BGADHN CCC[C@@H]1CCCN([C@@H](C)c2cnccn2)C1 ZINC000184615244 388580397 /nfs/dbraw/zinc/58/03/97/388580397.db2.gz ZPTDBBCYBMKUSM-QWHCGFSZSA-N 0 3 233.359 3.050 20 0 BGADHN CCC[C@H]1CCCN([C@@H](C)c2cnccn2)C1 ZINC000184615259 388580421 /nfs/dbraw/zinc/58/04/21/388580421.db2.gz ZPTDBBCYBMKUSM-STQMWFEESA-N 0 3 233.359 3.050 20 0 BGADHN C[C@H](NCc1noc2c1CCCC2)C1CCCC1 ZINC000184615345 487658837 /nfs/dbraw/zinc/65/88/37/487658837.db2.gz VPVIEAWCQBQNRV-NSHDSACASA-N 0 3 248.370 3.222 20 0 BGADHN C[C@@H](NCc1noc2c1CCCC2)C1CCCC1 ZINC000184615365 487658746 /nfs/dbraw/zinc/65/87/46/487658746.db2.gz VPVIEAWCQBQNRV-LLVKDONJSA-N 0 3 248.370 3.222 20 0 BGADHN CC(C)C[C@@H]1CCCN([C@@H](C)c2cnccn2)C1 ZINC000184617011 384625629 /nfs/dbraw/zinc/62/56/29/384625629.db2.gz LVIUVMVYMXUMIA-KBPBESRZSA-N 0 3 247.386 3.296 20 0 BGADHN CC(C)C[C@H]1CCCN([C@@H](C)c2cnccn2)C1 ZINC000184617025 188169651 /nfs/dbraw/zinc/16/96/51/188169651.db2.gz LVIUVMVYMXUMIA-UONOGXRCSA-N 0 3 247.386 3.296 20 0 BGADHN CCCCCN[C@@H](COC)c1ccc(C)o1 ZINC000184640675 168720521 /nfs/dbraw/zinc/72/05/21/168720521.db2.gz GIPXOUAXRFBAOM-LBPRGKRZSA-N 0 3 225.332 3.055 20 0 BGADHN CCCCCN[C@H](COC)c1ccc(C)o1 ZINC000184640694 398045305 /nfs/dbraw/zinc/04/53/05/398045305.db2.gz GIPXOUAXRFBAOM-GFCCVEGCSA-N 0 3 225.332 3.055 20 0 BGADHN CC(C)n1ccnc1CN[C@@H](C)C1CCCC1 ZINC000184641647 323090847 /nfs/dbraw/zinc/09/08/47/323090847.db2.gz BTLLHUUJOFAVIP-LBPRGKRZSA-N 0 3 235.375 3.132 20 0 BGADHN CC(C)n1ccnc1CN[C@H](C)C1CCCC1 ZINC000184641669 323090922 /nfs/dbraw/zinc/09/09/22/323090922.db2.gz BTLLHUUJOFAVIP-GFCCVEGCSA-N 0 3 235.375 3.132 20 0 BGADHN C[C@H](NCc1nc2ccccc2o1)C1CCCC1 ZINC000184650893 349275626 /nfs/dbraw/zinc/27/56/26/349275626.db2.gz OPPUSQVOHQNERN-NSHDSACASA-N 0 3 244.338 3.496 20 0 BGADHN C[C@@H](NCc1nc2ccccc2o1)C1CCCC1 ZINC000184650907 349275411 /nfs/dbraw/zinc/27/54/11/349275411.db2.gz OPPUSQVOHQNERN-LLVKDONJSA-N 0 3 244.338 3.496 20 0 BGADHN CN(CCc1ccccc1)C[C@H]1CCC(C)(C)O1 ZINC000184651406 134367812 /nfs/dbraw/zinc/36/78/12/134367812.db2.gz VGKJQVYVFVAFEN-OAHLLOKOSA-N 0 3 247.382 3.119 20 0 BGADHN CN(CCc1ccccc1)C[C@@H]1CCC(C)(C)O1 ZINC000184651432 134367671 /nfs/dbraw/zinc/36/76/71/134367671.db2.gz VGKJQVYVFVAFEN-HNNXBMFYSA-N 0 3 247.382 3.119 20 0 BGADHN CC[C@@H]1c2ccsc2CCN1CCSC ZINC000184658820 367088288 /nfs/dbraw/zinc/08/82/88/367088288.db2.gz MZZLBBGMFVJKMZ-LLVKDONJSA-N 0 3 241.425 3.420 20 0 BGADHN CC[C@H]1c2ccsc2CCN1CCSC ZINC000184658842 367088339 /nfs/dbraw/zinc/08/83/39/367088339.db2.gz MZZLBBGMFVJKMZ-NSHDSACASA-N 0 3 241.425 3.420 20 0 BGADHN C[C@H](NCc1cnc(Cl)s1)C1CCCC1 ZINC000184659236 385688141 /nfs/dbraw/zinc/68/81/41/385688141.db2.gz NZCGFEVBOUCYIK-QMMMGPOBSA-N 0 3 244.791 3.465 20 0 BGADHN C[C@@H](NCc1cnc(Cl)s1)C1CCCC1 ZINC000184659255 385688929 /nfs/dbraw/zinc/68/89/29/385688929.db2.gz NZCGFEVBOUCYIK-MRVPVSSYSA-N 0 3 244.791 3.465 20 0 BGADHN CC/C=C/CCNC(C)(C)c1nccs1 ZINC000184660447 398047947 /nfs/dbraw/zinc/04/79/47/398047947.db2.gz NCMRUGDKMNEYRR-AATRIKPKSA-N 0 3 224.373 3.324 20 0 BGADHN CC1(C)CC[C@H](CN2CCc3ccccc3C2)O1 ZINC000184663986 535325201 /nfs/dbraw/zinc/32/52/01/535325201.db2.gz UCSSDNWHPAUYRD-OAHLLOKOSA-N 0 3 245.366 3.002 20 0 BGADHN CC1(C)CC[C@@H](CN2CCc3ccccc3C2)O1 ZINC000184664005 535320893 /nfs/dbraw/zinc/32/08/93/535320893.db2.gz UCSSDNWHPAUYRD-HNNXBMFYSA-N 0 3 245.366 3.002 20 0 BGADHN CC1(C)CC[C@H](CN2CCC[C@@H]2c2ccco2)O1 ZINC000184668639 134367832 /nfs/dbraw/zinc/36/78/32/134367832.db2.gz YNEMTYCIPZOIPR-CHWSQXEVSA-N 0 3 249.354 3.374 20 0 BGADHN CC1(C)CC[C@@H](CN2CCC[C@@H]2c2ccco2)O1 ZINC000184668659 134367558 /nfs/dbraw/zinc/36/75/58/134367558.db2.gz YNEMTYCIPZOIPR-QWHCGFSZSA-N 0 3 249.354 3.374 20 0 BGADHN COC1(CN[C@@H](C)c2cccnc2)CCCCC1 ZINC000184670865 174003299 /nfs/dbraw/zinc/00/32/99/174003299.db2.gz IYMBRWKWTJBFHZ-ZDUSSCGKSA-N 0 3 248.370 3.082 20 0 BGADHN COC1(CN[C@H](C)c2cccnc2)CCCCC1 ZINC000184670879 174004799 /nfs/dbraw/zinc/00/47/99/174004799.db2.gz IYMBRWKWTJBFHZ-CYBMUJFWSA-N 0 3 248.370 3.082 20 0 BGADHN COC1(CN[C@@H](C)c2ccncc2)CCCCC1 ZINC000184673509 174004073 /nfs/dbraw/zinc/00/40/73/174004073.db2.gz VMPOCFYLMVYJIK-ZDUSSCGKSA-N 0 3 248.370 3.082 20 0 BGADHN COC1(CN[C@H](C)c2ccncc2)CCCCC1 ZINC000184673535 174004788 /nfs/dbraw/zinc/00/47/88/174004788.db2.gz VMPOCFYLMVYJIK-CYBMUJFWSA-N 0 3 248.370 3.082 20 0 BGADHN CCCCN[C@@H](C)c1csc(CC)n1 ZINC000184676306 385688654 /nfs/dbraw/zinc/68/86/54/385688654.db2.gz MXQGFBAPWBJXRZ-VIFPVBQESA-N 0 3 212.362 3.156 20 0 BGADHN CCCCN[C@H](C)c1csc(CC)n1 ZINC000184676325 385687947 /nfs/dbraw/zinc/68/79/47/385687947.db2.gz MXQGFBAPWBJXRZ-SECBINFHSA-N 0 3 212.362 3.156 20 0 BGADHN CCc1nc([C@@H](C)NCC2CCC2)cs1 ZINC000184677000 172002314 /nfs/dbraw/zinc/00/23/14/172002314.db2.gz KFBPMPUSQMLRCK-SECBINFHSA-N 0 3 224.373 3.156 20 0 BGADHN CCc1nc([C@H](C)NCC2CCC2)cs1 ZINC000184677018 172005349 /nfs/dbraw/zinc/00/53/49/172005349.db2.gz KFBPMPUSQMLRCK-VIFPVBQESA-N 0 3 224.373 3.156 20 0 BGADHN CC/C=C/CCN(C)[C@@H]1CCCc2c1cnn2C ZINC000184683012 134368016 /nfs/dbraw/zinc/36/80/16/134368016.db2.gz FDRUMIYDABZCLP-VBROQKIQSA-N 0 3 247.386 3.086 20 0 BGADHN CC/C=C/CCN(C)[C@H]1CCCc2c1cnn2C ZINC000184683031 134368077 /nfs/dbraw/zinc/36/80/77/134368077.db2.gz FDRUMIYDABZCLP-GJBLVYBDSA-N 0 3 247.386 3.086 20 0 BGADHN CC/C=C/CCN(Cc1cccnc1)C1CC1 ZINC000184695971 384637172 /nfs/dbraw/zinc/63/71/72/384637172.db2.gz LQQRZVALCMJQLJ-ONEGZZNKSA-N 0 3 230.355 3.402 20 0 BGADHN CC/C=C/CCN(Cc1ccncc1)C1CC1 ZINC000184696175 384638955 /nfs/dbraw/zinc/63/89/55/384638955.db2.gz PPDOSNXIPYAOPT-ONEGZZNKSA-N 0 3 230.355 3.402 20 0 BGADHN CC/C=C/CCN(C)[C@@H](C)c1ccncc1 ZINC000184697691 384641518 /nfs/dbraw/zinc/64/15/18/384641518.db2.gz CMUPRQCNIMYECL-GFUIURDCSA-N 0 3 218.344 3.431 20 0 BGADHN CC/C=C/CCN(C)[C@H](C)c1ccncc1 ZINC000184697713 384641335 /nfs/dbraw/zinc/64/13/35/384641335.db2.gz CMUPRQCNIMYECL-URWSZGRFSA-N 0 3 218.344 3.431 20 0 BGADHN CC/C=C/CCN(C)[C@@H](C)c1cccnc1 ZINC000184697891 384640960 /nfs/dbraw/zinc/64/09/60/384640960.db2.gz BWXMNXQWOZZTHA-GFUIURDCSA-N 0 3 218.344 3.431 20 0 BGADHN CC/C=C/CCN(C)[C@H](C)c1cccnc1 ZINC000184697910 384639074 /nfs/dbraw/zinc/63/90/74/384639074.db2.gz BWXMNXQWOZZTHA-URWSZGRFSA-N 0 3 218.344 3.431 20 0 BGADHN CC/C=C/CCN(C)[C@@H](C)c1ccccn1 ZINC000184698069 384640500 /nfs/dbraw/zinc/64/05/00/384640500.db2.gz ALQLQSWCHMUYKW-GFUIURDCSA-N 0 3 218.344 3.431 20 0 BGADHN CC/C=C/CCN(C)[C@H](C)c1ccccn1 ZINC000184698087 384641140 /nfs/dbraw/zinc/64/11/40/384641140.db2.gz ALQLQSWCHMUYKW-URWSZGRFSA-N 0 3 218.344 3.431 20 0 BGADHN CCc1nc([C@@H](C)NCCC(C)C)cs1 ZINC000184703699 385698795 /nfs/dbraw/zinc/69/87/95/385698795.db2.gz MJKWJSPAANAENN-SNVBAGLBSA-N 0 3 226.389 3.402 20 0 BGADHN CCc1nc([C@H](C)NCCC(C)C)cs1 ZINC000184703715 385697201 /nfs/dbraw/zinc/69/72/01/385697201.db2.gz MJKWJSPAANAENN-JTQLQIEISA-N 0 3 226.389 3.402 20 0 BGADHN CC/C=C/CCN(Cc1ccccn1)C1CC1 ZINC000184709845 384640943 /nfs/dbraw/zinc/64/09/43/384640943.db2.gz BMGJJLOWDOCADJ-ONEGZZNKSA-N 0 3 230.355 3.402 20 0 BGADHN CCCCCCN[C@@H](COC)c1ccc(C)o1 ZINC000184715897 643233212 /nfs/dbraw/zinc/23/32/12/643233212.db2.gz BDTPHIHFRPPSQS-ZDUSSCGKSA-N 0 3 239.359 3.445 20 0 BGADHN CCCCCCN[C@H](COC)c1ccc(C)o1 ZINC000184715919 643232530 /nfs/dbraw/zinc/23/25/30/643232530.db2.gz BDTPHIHFRPPSQS-CYBMUJFWSA-N 0 3 239.359 3.445 20 0 BGADHN CC/C=C/CCN[C@@H](COC)c1ccccc1 ZINC000184722807 388581819 /nfs/dbraw/zinc/58/18/19/388581819.db2.gz ADOSHAAJISJTBO-RGDDUWESSA-N 0 3 233.355 3.320 20 0 BGADHN CC/C=C/CCN[C@H](COC)c1ccccc1 ZINC000184722828 388582443 /nfs/dbraw/zinc/58/24/43/388582443.db2.gz ADOSHAAJISJTBO-MBVDDHJVSA-N 0 3 233.355 3.320 20 0 BGADHN CCc1nc([C@@H](C)NCCCSC)cs1 ZINC000184728379 172003021 /nfs/dbraw/zinc/00/30/21/172003021.db2.gz WEOFEVWMFDQWCJ-SECBINFHSA-N 0 3 244.429 3.109 20 0 BGADHN CCc1nc([C@H](C)NCCCSC)cs1 ZINC000184728399 172006473 /nfs/dbraw/zinc/00/64/73/172006473.db2.gz WEOFEVWMFDQWCJ-VIFPVBQESA-N 0 3 244.429 3.109 20 0 BGADHN CC(C)=CCN[C@H](C)c1cnn(C(C)C)c1 ZINC000184750413 385711644 /nfs/dbraw/zinc/71/16/44/385711644.db2.gz OBBMOMONZUNWCA-GFCCVEGCSA-N 0 3 221.348 3.081 20 0 BGADHN CC(C)=CCN[C@@H](C)c1cnn(C(C)C)c1 ZINC000184750428 219872428 /nfs/dbraw/zinc/87/24/28/219872428.db2.gz OBBMOMONZUNWCA-LBPRGKRZSA-N 0 3 221.348 3.081 20 0 BGADHN CCCCCN[C@@H](COC)c1ccc(CC)o1 ZINC000184778690 347177264 /nfs/dbraw/zinc/17/72/64/347177264.db2.gz ZTJLARLWDKWYTB-ZDUSSCGKSA-N 0 3 239.359 3.309 20 0 BGADHN CCCCCN[C@H](COC)c1ccc(CC)o1 ZINC000184778710 367095715 /nfs/dbraw/zinc/09/57/15/367095715.db2.gz ZTJLARLWDKWYTB-CYBMUJFWSA-N 0 3 239.359 3.309 20 0 BGADHN CCc1ccc([C@@H](COC)NCCC(C)C)o1 ZINC000184813466 347179492 /nfs/dbraw/zinc/17/94/92/347179492.db2.gz JIDQSCDTLCIFCH-CYBMUJFWSA-N 0 3 239.359 3.165 20 0 BGADHN CCc1ccc([C@H](COC)NCCC(C)C)o1 ZINC000184813484 367097726 /nfs/dbraw/zinc/09/77/26/367097726.db2.gz JIDQSCDTLCIFCH-ZDUSSCGKSA-N 0 3 239.359 3.165 20 0 BGADHN C[C@H](NCC1CC1)c1ncc(-c2ccccc2)o1 ZINC000184865841 384656429 /nfs/dbraw/zinc/65/64/29/384656429.db2.gz YNNMOCSNSAXURK-NSHDSACASA-N 0 3 242.322 3.402 20 0 BGADHN C[C@@H](NCC1CC1)c1ncc(-c2ccccc2)o1 ZINC000184865857 384659865 /nfs/dbraw/zinc/65/98/65/384659865.db2.gz YNNMOCSNSAXURK-LLVKDONJSA-N 0 3 242.322 3.402 20 0 BGADHN CCCC[C@H](NCc1ccon1)C1CCC1 ZINC000184881836 398056056 /nfs/dbraw/zinc/05/60/56/398056056.db2.gz MXATYGZYVQDPSG-ZDUSSCGKSA-N 0 3 222.332 3.123 20 0 BGADHN CCCC[C@@H](NCc1ccon1)C1CCC1 ZINC000184881849 398056011 /nfs/dbraw/zinc/05/60/11/398056011.db2.gz MXATYGZYVQDPSG-CYBMUJFWSA-N 0 3 222.332 3.123 20 0 BGADHN CCCC[C@H](NCc1cc(C)on1)C1CCC1 ZINC000184884851 367105937 /nfs/dbraw/zinc/10/59/37/367105937.db2.gz BOLYIZIYZKBMHA-AWEZNQCLSA-N 0 3 236.359 3.432 20 0 BGADHN CCCC[C@@H](NCc1cc(C)on1)C1CCC1 ZINC000184884870 367106435 /nfs/dbraw/zinc/10/64/35/367106435.db2.gz BOLYIZIYZKBMHA-CQSZACIVSA-N 0 3 236.359 3.432 20 0 BGADHN CCCC[C@H](NCc1nccn1CC)C1CCC1 ZINC000184887349 345224550 /nfs/dbraw/zinc/22/45/50/345224550.db2.gz WZYBYQKLQRSJFU-AWEZNQCLSA-N 0 3 249.402 3.352 20 0 BGADHN CCCC[C@@H](NCc1nccn1CC)C1CCC1 ZINC000184887367 367106357 /nfs/dbraw/zinc/10/63/57/367106357.db2.gz WZYBYQKLQRSJFU-CQSZACIVSA-N 0 3 249.402 3.352 20 0 BGADHN CCCC[C@H](NCc1cc(C)no1)C1CCC1 ZINC000184889214 347183728 /nfs/dbraw/zinc/18/37/28/347183728.db2.gz IDTGOCUFDKWMSG-AWEZNQCLSA-N 0 3 236.359 3.432 20 0 BGADHN CCCC[C@@H](NCc1cc(C)no1)C1CCC1 ZINC000184889231 367106718 /nfs/dbraw/zinc/10/67/18/367106718.db2.gz IDTGOCUFDKWMSG-CQSZACIVSA-N 0 3 236.359 3.432 20 0 BGADHN CCCC[C@H](NCc1ncc(C)o1)C1CCC1 ZINC000184906379 367108684 /nfs/dbraw/zinc/10/86/84/367108684.db2.gz RYRDPPWHHKUOOQ-ZDUSSCGKSA-N 0 3 236.359 3.432 20 0 BGADHN CCCC[C@@H](NCc1ncc(C)o1)C1CCC1 ZINC000184906398 367108412 /nfs/dbraw/zinc/10/84/12/367108412.db2.gz RYRDPPWHHKUOOQ-CYBMUJFWSA-N 0 3 236.359 3.432 20 0 BGADHN C[C@H](NCCC1=CCCCCC1)c1cnccn1 ZINC000185017678 384673968 /nfs/dbraw/zinc/67/39/68/384673968.db2.gz IOZCQVAKMQEIFT-ZDUSSCGKSA-N 0 3 245.370 3.408 20 0 BGADHN C[C@@H](NCCC1=CCCCCC1)c1cnccn1 ZINC000185017699 384674011 /nfs/dbraw/zinc/67/40/11/384674011.db2.gz IOZCQVAKMQEIFT-CYBMUJFWSA-N 0 3 245.370 3.408 20 0 BGADHN CC[C@H](NCCCCCOC)c1nccs1 ZINC000185055057 385719912 /nfs/dbraw/zinc/71/99/12/385719912.db2.gz XEJPTZPYEGQRML-NSHDSACASA-N 0 3 242.388 3.001 20 0 BGADHN CC[C@@H](NCCCCCOC)c1nccs1 ZINC000185055080 385718797 /nfs/dbraw/zinc/71/87/97/385718797.db2.gz XEJPTZPYEGQRML-LLVKDONJSA-N 0 3 242.388 3.001 20 0 BGADHN CCc1ccc(CNCCCCCSC)o1 ZINC000185160418 384689004 /nfs/dbraw/zinc/68/90/04/384689004.db2.gz XEQMWDRLWMZDNZ-UHFFFAOYSA-N 0 3 241.400 3.465 20 0 BGADHN CSCCCCCNCc1ccccc1F ZINC000185164495 384688509 /nfs/dbraw/zinc/68/85/09/384688509.db2.gz WPTJTLHRAKRPHD-UHFFFAOYSA-N 0 3 241.375 3.449 20 0 BGADHN CSCCCCCNCc1nc(C)cs1 ZINC000185164667 398057091 /nfs/dbraw/zinc/05/70/91/398057091.db2.gz UBBYOFLMARJKDD-UHFFFAOYSA-N 0 3 244.429 3.074 20 0 BGADHN CSCCCCCNCc1csc(C)n1 ZINC000185165202 398057831 /nfs/dbraw/zinc/05/78/31/398057831.db2.gz GRHZEGMGKOZMPR-UHFFFAOYSA-N 0 3 244.429 3.074 20 0 BGADHN CSCCCCCNCc1ccc(C)o1 ZINC000185165309 384687925 /nfs/dbraw/zinc/68/79/25/384687925.db2.gz RRDVGCNXBKBKHS-UHFFFAOYSA-N 0 3 227.373 3.211 20 0 BGADHN CCCCCN(Cc1cnoc1C)C(C)C ZINC000185179153 367122709 /nfs/dbraw/zinc/12/27/09/367122709.db2.gz MPUMKWLGQJUCOM-UHFFFAOYSA-N 0 3 224.348 3.384 20 0 BGADHN FC(F)c1ccc(CNCc2cc[nH]c2)cc1 ZINC000185184923 134372347 /nfs/dbraw/zinc/37/23/47/134372347.db2.gz PZCHAGUNZFCYEL-UHFFFAOYSA-N 0 3 236.265 3.242 20 0 BGADHN CC(C)N(C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000185234109 634037066 /nfs/dbraw/zinc/03/70/66/634037066.db2.gz CYECNWHVRJABLK-UHFFFAOYSA-N 0 3 242.706 3.088 20 0 BGADHN CCCN(C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000185237432 643278835 /nfs/dbraw/zinc/27/88/35/643278835.db2.gz IOHYBZKPZJSQIT-UHFFFAOYSA-N 0 3 242.706 3.090 20 0 BGADHN Cc1cccc2c1ncc(C)c2N1CCCC1 ZINC000185245432 388585885 /nfs/dbraw/zinc/58/58/85/388585885.db2.gz JOMXRHLHMHDGDD-UHFFFAOYSA-N 0 3 226.323 3.452 20 0 BGADHN COCCCNc1c(C)cnc2c(C)cccc21 ZINC000185247308 536590853 /nfs/dbraw/zinc/59/08/53/536590853.db2.gz KMZKYEPQMJTXBK-UHFFFAOYSA-N 0 3 244.338 3.300 20 0 BGADHN CSCCN(C)[C@@H](C)c1ccc(F)cc1 ZINC000185253768 384699057 /nfs/dbraw/zinc/69/90/57/384699057.db2.gz QOOQMPFALGDIQY-JTQLQIEISA-N 0 3 227.348 3.182 20 0 BGADHN CSCCN(C)[C@H](C)c1ccc(F)cc1 ZINC000185253778 384698304 /nfs/dbraw/zinc/69/83/04/384698304.db2.gz QOOQMPFALGDIQY-SNVBAGLBSA-N 0 3 227.348 3.182 20 0 BGADHN CCCCN[C@@H](c1ncc(C)s1)C1CC1 ZINC000185275496 385728994 /nfs/dbraw/zinc/72/89/94/385728994.db2.gz IZVXBDFGTYFGIR-LLVKDONJSA-N 0 3 224.373 3.292 20 0 BGADHN CCCCN[C@H](c1ncc(C)s1)C1CC1 ZINC000185275510 205713134 /nfs/dbraw/zinc/71/31/34/205713134.db2.gz IZVXBDFGTYFGIR-NSHDSACASA-N 0 3 224.373 3.292 20 0 BGADHN CCOCCNc1c(C)cnc2c(C)cccc21 ZINC000185276051 535628234 /nfs/dbraw/zinc/62/82/34/535628234.db2.gz XNUJJBOITBSBCB-UHFFFAOYSA-N 0 3 244.338 3.300 20 0 BGADHN Cc1cnc([C@H](NCC2CCC2)C2CC2)s1 ZINC000185276288 385729035 /nfs/dbraw/zinc/72/90/35/385729035.db2.gz OARVRLJOAAYCEM-GFCCVEGCSA-N 0 3 236.384 3.292 20 0 BGADHN Cc1cnc([C@@H](NCC2CCC2)C2CC2)s1 ZINC000185276302 385728781 /nfs/dbraw/zinc/72/87/81/385728781.db2.gz OARVRLJOAAYCEM-LBPRGKRZSA-N 0 3 236.384 3.292 20 0 BGADHN Cc1cccc2c1ncc(C)c2NCC(C)(C)O ZINC000185294930 384702829 /nfs/dbraw/zinc/70/28/29/384702829.db2.gz HYOZSHYSOCKRLU-UHFFFAOYSA-N 0 3 244.338 3.034 20 0 BGADHN FCCCN1CC[C@@H](c2c(F)cccc2F)C1 ZINC000185306001 134379616 /nfs/dbraw/zinc/37/96/16/134379616.db2.gz YXIIYXQIUGXBSB-SNVBAGLBSA-N 0 3 243.272 3.114 20 0 BGADHN FCCCN1CC[C@H](c2c(F)cccc2F)C1 ZINC000185306021 134379936 /nfs/dbraw/zinc/37/99/36/134379936.db2.gz YXIIYXQIUGXBSB-JTQLQIEISA-N 0 3 243.272 3.114 20 0 BGADHN Cc1cccc2c1ncc(C)c2NCC[C@@H](C)O ZINC000185308620 384700484 /nfs/dbraw/zinc/70/04/84/384700484.db2.gz USYPMIWSHWUUDB-GFCCVEGCSA-N 0 3 244.338 3.034 20 0 BGADHN Cc1cccc2c1ncc(C)c2NCC[C@H](C)O ZINC000185308639 384702358 /nfs/dbraw/zinc/70/23/58/384702358.db2.gz USYPMIWSHWUUDB-LBPRGKRZSA-N 0 3 244.338 3.034 20 0 BGADHN Cc1cccc2c1ncc(C)c2N[C@@H](C)CCO ZINC000185312119 384703136 /nfs/dbraw/zinc/70/31/36/384703136.db2.gz ZIJTVYXVBXWHHI-LBPRGKRZSA-N 0 3 244.338 3.034 20 0 BGADHN Cc1cccc2c1ncc(C)c2N[C@H](C)CCO ZINC000185312136 384703107 /nfs/dbraw/zinc/70/31/07/384703107.db2.gz ZIJTVYXVBXWHHI-GFCCVEGCSA-N 0 3 244.338 3.034 20 0 BGADHN Fc1cccc(F)c1[C@@H]1CCN(CC2CC2)C1 ZINC000185314322 134379789 /nfs/dbraw/zinc/37/97/89/134379789.db2.gz HETOMWNIISREKJ-LLVKDONJSA-N 0 3 237.293 3.164 20 0 BGADHN Fc1cccc(F)c1[C@H]1CCN(CC2CC2)C1 ZINC000185314339 134379750 /nfs/dbraw/zinc/37/97/50/134379750.db2.gz HETOMWNIISREKJ-NSHDSACASA-N 0 3 237.293 3.164 20 0 BGADHN CCCN1CC[C@H](c2c(F)cccc2F)C1 ZINC000185328387 388586593 /nfs/dbraw/zinc/58/65/93/388586593.db2.gz PJGXBVINESNCOH-JTQLQIEISA-N 0 3 225.282 3.164 20 0 BGADHN CCCN1CC[C@@H](c2c(F)cccc2F)C1 ZINC000185328402 388586376 /nfs/dbraw/zinc/58/63/76/388586376.db2.gz PJGXBVINESNCOH-SNVBAGLBSA-N 0 3 225.282 3.164 20 0 BGADHN CC[C@H](CO)Nc1c(C)cnc2c(C)cccc21 ZINC000185369376 388586399 /nfs/dbraw/zinc/58/63/99/388586399.db2.gz RKVCMMXMYYFWOK-GFCCVEGCSA-N 0 3 244.338 3.034 20 0 BGADHN CC/C=C/CCN[C@@H](C)c1ccccn1 ZINC000185390898 385728626 /nfs/dbraw/zinc/72/86/26/385728626.db2.gz LZNHMQOQTDEECS-ITKZLYELSA-N 0 3 204.317 3.089 20 0 BGADHN CC/C=C/CCN[C@H](C)c1ccccn1 ZINC000185390914 385728633 /nfs/dbraw/zinc/72/86/33/385728633.db2.gz LZNHMQOQTDEECS-ZYOFXKKJSA-N 0 3 204.317 3.089 20 0 BGADHN CC(C)N(C)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000185400021 188346908 /nfs/dbraw/zinc/34/69/08/188346908.db2.gz IGBGKZYAZVOKOW-PWSUYJOCSA-N 0 3 207.317 3.243 20 0 BGADHN CC(C)N(C)Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000185400037 384715126 /nfs/dbraw/zinc/71/51/26/384715126.db2.gz IGBGKZYAZVOKOW-JQWIXIFHSA-N 0 3 207.317 3.243 20 0 BGADHN CC(C)N(C)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000185400054 384714854 /nfs/dbraw/zinc/71/48/54/384714854.db2.gz IGBGKZYAZVOKOW-ZYHUDNBSSA-N 0 3 207.317 3.243 20 0 BGADHN CC(C)N(C)Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000185400075 187311376 /nfs/dbraw/zinc/31/13/76/187311376.db2.gz IGBGKZYAZVOKOW-CMPLNLGQSA-N 0 3 207.317 3.243 20 0 BGADHN CSCCN(C)[C@@H](C)c1cccs1 ZINC000185400883 384719332 /nfs/dbraw/zinc/71/93/32/384719332.db2.gz CRGXWNNVNIUDQK-VIFPVBQESA-N 0 3 215.387 3.104 20 0 BGADHN CSCCN(C)[C@H](C)c1cccs1 ZINC000185400901 384718978 /nfs/dbraw/zinc/71/89/78/384718978.db2.gz CRGXWNNVNIUDQK-SECBINFHSA-N 0 3 215.387 3.104 20 0 BGADHN CCn1cc(CNCCC2=CCCCCC2)cn1 ZINC000185405652 172169820 /nfs/dbraw/zinc/16/98/20/172169820.db2.gz CPJHUZYOSNXGKO-UHFFFAOYSA-N 0 3 247.386 3.273 20 0 BGADHN c1ccc(CNCCC2=CCCCCC2)nc1 ZINC000185406047 188346739 /nfs/dbraw/zinc/34/67/39/188346739.db2.gz OPQQCQRDFADDLY-UHFFFAOYSA-N 0 3 230.355 3.452 20 0 BGADHN CCn1nccc1CNCCC1=CCCCCC1 ZINC000185406320 172271599 /nfs/dbraw/zinc/27/15/99/172271599.db2.gz CYPSSYJNKOKMRP-UHFFFAOYSA-N 0 3 247.386 3.273 20 0 BGADHN CC/C=C/CCN[C@@H](COC)c1ccc(C)o1 ZINC000185435354 384722671 /nfs/dbraw/zinc/72/26/71/384722671.db2.gz LQHHMCUMPCWZNM-GFUIURDCSA-N 0 3 237.343 3.221 20 0 BGADHN CC/C=C/CCN[C@H](COC)c1ccc(C)o1 ZINC000185435371 384722009 /nfs/dbraw/zinc/72/20/09/384722009.db2.gz LQHHMCUMPCWZNM-URWSZGRFSA-N 0 3 237.343 3.221 20 0 BGADHN CCCC[C@H](N[C@@H](C)c1cnccn1)C1CCC1 ZINC000185435696 388588025 /nfs/dbraw/zinc/58/80/25/388588025.db2.gz ZHPZHPQYQRYEKA-JSGCOSHPSA-N 0 3 247.386 3.486 20 0 BGADHN CCCC[C@@H](N[C@@H](C)c1cnccn1)C1CCC1 ZINC000185435717 388588069 /nfs/dbraw/zinc/58/80/69/388588069.db2.gz ZHPZHPQYQRYEKA-GXTWGEPZSA-N 0 3 247.386 3.486 20 0 BGADHN CCCC[C@H](N[C@H](C)c1cnccn1)C1CCC1 ZINC000185435735 388587590 /nfs/dbraw/zinc/58/75/90/388587590.db2.gz ZHPZHPQYQRYEKA-OCCSQVGLSA-N 0 3 247.386 3.486 20 0 BGADHN CCCC[C@@H](N[C@H](C)c1cnccn1)C1CCC1 ZINC000185435755 388588071 /nfs/dbraw/zinc/58/80/71/388588071.db2.gz ZHPZHPQYQRYEKA-TZMCWYRMSA-N 0 3 247.386 3.486 20 0 BGADHN CC/C=C/CCN[C@@H](C)c1nc(C)cs1 ZINC000185441405 385730304 /nfs/dbraw/zinc/73/03/04/385730304.db2.gz ZQQHEYFMOJBSTC-QRGHLMKCSA-N 0 3 224.373 3.458 20 0 BGADHN CC/C=C/CCN[C@H](C)c1nc(C)cs1 ZINC000185441422 385731776 /nfs/dbraw/zinc/73/17/76/385731776.db2.gz ZQQHEYFMOJBSTC-MVIFTORASA-N 0 3 224.373 3.458 20 0 BGADHN CC/C=C/CCN[C@@H](C)c1nccs1 ZINC000185442093 385730696 /nfs/dbraw/zinc/73/06/96/385730696.db2.gz NZOBSBPMZOBCNU-YEZKRMTDSA-N 0 3 210.346 3.150 20 0 BGADHN CC/C=C/CCN[C@@H](C)c1ncc(C)s1 ZINC000185445268 385731903 /nfs/dbraw/zinc/73/19/03/385731903.db2.gz FTDQFHOWFPIFDW-QRGHLMKCSA-N 0 3 224.373 3.458 20 0 BGADHN CC/C=C/CCN[C@H](C)c1ncc(C)s1 ZINC000185445289 385731253 /nfs/dbraw/zinc/73/12/53/385731253.db2.gz FTDQFHOWFPIFDW-MVIFTORASA-N 0 3 224.373 3.458 20 0 BGADHN CCSc1cccc(CN2CCCC2)c1 ZINC000185454655 259378671 /nfs/dbraw/zinc/37/86/71/259378671.db2.gz QTYNEKPCIJZFQX-UHFFFAOYSA-N 0 3 221.369 3.394 20 0 BGADHN COc1ccc(OC)c(CN(C)C2CCCC2)c1 ZINC000185479911 175165972 /nfs/dbraw/zinc/16/59/72/175165972.db2.gz UZOKFTLXXOPSOV-UHFFFAOYSA-N 0 3 249.354 3.078 20 0 BGADHN Cc1cc(Cl)ccc1CN(C)C1CC1 ZINC000185495365 388587872 /nfs/dbraw/zinc/58/78/72/388587872.db2.gz FPAXXDLNPWBLIN-UHFFFAOYSA-N 0 3 209.720 3.243 20 0 BGADHN COC[C@H](C)N(C)Cc1ccc(Cl)cc1C ZINC000185500392 388587933 /nfs/dbraw/zinc/58/79/33/388587933.db2.gz FAEJHHTXPVFCMX-NSHDSACASA-N 0 3 241.762 3.115 20 0 BGADHN COC[C@@H](C)N(C)Cc1ccc(Cl)cc1C ZINC000185500413 388587398 /nfs/dbraw/zinc/58/73/98/388587398.db2.gz FAEJHHTXPVFCMX-LLVKDONJSA-N 0 3 241.762 3.115 20 0 BGADHN COCCCCNc1ccnc2ccc(C)cc21 ZINC000185507426 134381198 /nfs/dbraw/zinc/38/11/98/134381198.db2.gz VEERPABCWWXMFD-UHFFFAOYSA-N 0 3 244.338 3.382 20 0 BGADHN COC[C@H](C)N(C)c1ccnc2ccc(C)cc21 ZINC000185514626 134381374 /nfs/dbraw/zinc/38/13/74/134381374.db2.gz SETGUZFVMFZSJG-LBPRGKRZSA-N 0 3 244.338 3.014 20 0 BGADHN COC[C@@H](C)N(C)c1ccnc2ccc(C)cc21 ZINC000185514648 134381394 /nfs/dbraw/zinc/38/13/94/134381394.db2.gz SETGUZFVMFZSJG-GFCCVEGCSA-N 0 3 244.338 3.014 20 0 BGADHN CCC(C)(CC)[NH2+]Cc1cc([O-])cc(F)c1 ZINC000185540219 385734900 /nfs/dbraw/zinc/73/49/00/385734900.db2.gz TWACWROWQZSRMW-UHFFFAOYSA-N 0 3 225.307 3.200 20 0 BGADHN COC[C@H](C)CNc1ccnc2ccc(C)cc21 ZINC000185542067 134381464 /nfs/dbraw/zinc/38/14/64/134381464.db2.gz YJZNJQVICZIMFF-GFCCVEGCSA-N 0 3 244.338 3.238 20 0 BGADHN COC[C@@H](C)CNc1ccnc2ccc(C)cc21 ZINC000185542091 134381793 /nfs/dbraw/zinc/38/17/93/134381793.db2.gz YJZNJQVICZIMFF-LBPRGKRZSA-N 0 3 244.338 3.238 20 0 BGADHN CCC1(C[NH2+]Cc2cc([O-])cc(F)c2)CCC1 ZINC000185569192 385734465 /nfs/dbraw/zinc/73/44/65/385734465.db2.gz XFZIYZZTQHUICA-UHFFFAOYSA-N 0 3 237.318 3.201 20 0 BGADHN CC(C)C1(C[NH2+]Cc2cc([O-])cc(F)c2)CC1 ZINC000185569792 385733614 /nfs/dbraw/zinc/73/36/14/385733614.db2.gz SEGWIXVVFFRTCG-UHFFFAOYSA-N 0 3 237.318 3.057 20 0 BGADHN CCCC1(C[NH2+]Cc2cc([O-])cc(F)c2)CC1 ZINC000185575030 385734331 /nfs/dbraw/zinc/73/43/31/385734331.db2.gz VINKPDMUAFWKJT-UHFFFAOYSA-N 0 3 237.318 3.201 20 0 BGADHN CC[C@@H]1[C@H](C)CCN1Cc1cccnc1Cl ZINC000185587466 171159980 /nfs/dbraw/zinc/15/99/80/171159980.db2.gz LPASCWASPYQYAI-ZYHUDNBSSA-N 0 3 238.762 3.355 20 0 BGADHN CC[C@H]1[C@H](C)CCN1Cc1cccnc1Cl ZINC000185587484 385733447 /nfs/dbraw/zinc/73/34/47/385733447.db2.gz LPASCWASPYQYAI-PWSUYJOCSA-N 0 3 238.762 3.355 20 0 BGADHN CC[C@@H]1[C@@H](C)CCN1Cc1cccnc1Cl ZINC000185587504 171156199 /nfs/dbraw/zinc/15/61/99/171156199.db2.gz LPASCWASPYQYAI-CMPLNLGQSA-N 0 3 238.762 3.355 20 0 BGADHN CC[C@H]1[C@@H](C)CCN1Cc1cccnc1Cl ZINC000185587521 385733905 /nfs/dbraw/zinc/73/39/05/385733905.db2.gz LPASCWASPYQYAI-JQWIXIFHSA-N 0 3 238.762 3.355 20 0 BGADHN CC[C@@H]1[C@H](C)CCN1Cc1csc(C)n1 ZINC000185594171 171160756 /nfs/dbraw/zinc/16/07/56/171160756.db2.gz QDYIHRGZGMNYOS-BXKDBHETSA-N 0 3 224.373 3.072 20 0 BGADHN CC[C@H]1[C@H](C)CCN1Cc1csc(C)n1 ZINC000185594189 384743162 /nfs/dbraw/zinc/74/31/62/384743162.db2.gz QDYIHRGZGMNYOS-SKDRFNHKSA-N 0 3 224.373 3.072 20 0 BGADHN CC[C@@H]1[C@@H](C)CCN1Cc1csc(C)n1 ZINC000185594208 171156176 /nfs/dbraw/zinc/15/61/76/171156176.db2.gz QDYIHRGZGMNYOS-JOYOIKCWSA-N 0 3 224.373 3.072 20 0 BGADHN CC[C@H]1[C@@H](C)CCN1Cc1csc(C)n1 ZINC000185594227 384743608 /nfs/dbraw/zinc/74/36/08/384743608.db2.gz QDYIHRGZGMNYOS-CABZTGNLSA-N 0 3 224.373 3.072 20 0 BGADHN CC[C@@H]1[C@H](C)CCN1Cc1ccnc(Cl)c1 ZINC000185599934 171160063 /nfs/dbraw/zinc/16/00/63/171160063.db2.gz KTBFWNYJNYQXDU-ZYHUDNBSSA-N 0 3 238.762 3.355 20 0 BGADHN CC[C@H]1[C@H](C)CCN1Cc1ccnc(Cl)c1 ZINC000185599953 385732878 /nfs/dbraw/zinc/73/28/78/385732878.db2.gz KTBFWNYJNYQXDU-PWSUYJOCSA-N 0 3 238.762 3.355 20 0 BGADHN CC[C@@H]1[C@@H](C)CCN1Cc1ccnc(Cl)c1 ZINC000185599967 171156378 /nfs/dbraw/zinc/15/63/78/171156378.db2.gz KTBFWNYJNYQXDU-CMPLNLGQSA-N 0 3 238.762 3.355 20 0 BGADHN CC[C@H]1[C@@H](C)CCN1Cc1ccnc(Cl)c1 ZINC000185599988 385733940 /nfs/dbraw/zinc/73/39/40/385733940.db2.gz KTBFWNYJNYQXDU-JQWIXIFHSA-N 0 3 238.762 3.355 20 0 BGADHN [O-]c1cc(F)cc(C[NH2+]CC2(C3CC3)CCC2)c1 ZINC000185606191 388589319 /nfs/dbraw/zinc/58/93/19/388589319.db2.gz WSFNAMQBXGQUDZ-UHFFFAOYSA-N 0 3 249.329 3.201 20 0 BGADHN [O-]c1cc(F)cc(C[NH2+]CCC2=CCCC2)c1 ZINC000185607520 183259790 /nfs/dbraw/zinc/25/97/90/183259790.db2.gz KTJCVYORPHYICJ-UHFFFAOYSA-N 0 3 235.302 3.121 20 0 BGADHN CC[C@@H]1[C@H](C)CCN1Cc1ccn(C(C)C)n1 ZINC000185614507 134387206 /nfs/dbraw/zinc/38/72/06/134387206.db2.gz COQFKKISGINJMQ-TZMCWYRMSA-N 0 3 235.375 3.084 20 0 BGADHN CC[C@H]1[C@H](C)CCN1Cc1ccn(C(C)C)n1 ZINC000185614527 134386782 /nfs/dbraw/zinc/38/67/82/134386782.db2.gz COQFKKISGINJMQ-OCCSQVGLSA-N 0 3 235.375 3.084 20 0 BGADHN CC[C@@H]1[C@@H](C)CCN1Cc1ccn(C(C)C)n1 ZINC000185614546 134386446 /nfs/dbraw/zinc/38/64/46/134386446.db2.gz COQFKKISGINJMQ-GXTWGEPZSA-N 0 3 235.375 3.084 20 0 BGADHN CC[C@H]1[C@@H](C)CCN1Cc1ccn(C(C)C)n1 ZINC000185614566 536180978 /nfs/dbraw/zinc/18/09/78/536180978.db2.gz COQFKKISGINJMQ-JSGCOSHPSA-N 0 3 235.375 3.084 20 0 BGADHN CC[C@@H]1[C@H](C)CCN1Cc1nc2ccccc2o1 ZINC000185624486 388589279 /nfs/dbraw/zinc/58/92/79/388589279.db2.gz VFENGDACKBYGCS-DGCLKSJQSA-N 0 3 244.338 3.448 20 0 BGADHN CC[C@H]1[C@H](C)CCN1Cc1nc2ccccc2o1 ZINC000185624500 388589714 /nfs/dbraw/zinc/58/97/14/388589714.db2.gz VFENGDACKBYGCS-YPMHNXCESA-N 0 3 244.338 3.448 20 0 BGADHN CC[C@@H]1[C@@H](C)CCN1Cc1nc2ccccc2o1 ZINC000185624517 259300630 /nfs/dbraw/zinc/30/06/30/259300630.db2.gz VFENGDACKBYGCS-WCQYABFASA-N 0 3 244.338 3.448 20 0 BGADHN CC[C@H]1[C@@H](C)CCN1Cc1nc2ccccc2o1 ZINC000185624537 259300620 /nfs/dbraw/zinc/30/06/20/259300620.db2.gz VFENGDACKBYGCS-AAEUAGOBSA-N 0 3 244.338 3.448 20 0 BGADHN CC[C@@H]1[C@H](C)CCN1Cc1cccc(Cl)n1 ZINC000185628720 171160540 /nfs/dbraw/zinc/16/05/40/171160540.db2.gz IQNBXOWYBCGWJL-ZYHUDNBSSA-N 0 3 238.762 3.355 20 0 BGADHN CC[C@H]1[C@H](C)CCN1Cc1cccc(Cl)n1 ZINC000185628737 385734700 /nfs/dbraw/zinc/73/47/00/385734700.db2.gz IQNBXOWYBCGWJL-PWSUYJOCSA-N 0 3 238.762 3.355 20 0 BGADHN CC[C@@H]1[C@@H](C)CCN1Cc1cccc(Cl)n1 ZINC000185628752 171156567 /nfs/dbraw/zinc/15/65/67/171156567.db2.gz IQNBXOWYBCGWJL-CMPLNLGQSA-N 0 3 238.762 3.355 20 0 BGADHN CC[C@H]1[C@@H](C)CCN1Cc1cccc(Cl)n1 ZINC000185628767 385734021 /nfs/dbraw/zinc/73/40/21/385734021.db2.gz IQNBXOWYBCGWJL-JQWIXIFHSA-N 0 3 238.762 3.355 20 0 BGADHN CC[C@@H]1[C@H](C)CCN1Cc1nc(C)cs1 ZINC000185629158 171161076 /nfs/dbraw/zinc/16/10/76/171161076.db2.gz UIAXEMPAAGZAFF-MWLCHTKSSA-N 0 3 224.373 3.072 20 0 BGADHN CC[C@H]1[C@H](C)CCN1Cc1nc(C)cs1 ZINC000185629179 384746966 /nfs/dbraw/zinc/74/69/66/384746966.db2.gz UIAXEMPAAGZAFF-KOLCDFICSA-N 0 3 224.373 3.072 20 0 BGADHN CC[C@@H]1[C@@H](C)CCN1Cc1nc(C)cs1 ZINC000185629197 171155550 /nfs/dbraw/zinc/15/55/50/171155550.db2.gz UIAXEMPAAGZAFF-GXSJLCMTSA-N 0 3 224.373 3.072 20 0 BGADHN CC[C@H]1[C@@H](C)CCN1Cc1nc(C)cs1 ZINC000185629219 384748531 /nfs/dbraw/zinc/74/85/31/384748531.db2.gz UIAXEMPAAGZAFF-ONGXEEELSA-N 0 3 224.373 3.072 20 0 BGADHN CCc1nc(CN2CC[C@H](C)[C@@H]2CC)cs1 ZINC000185635191 134387068 /nfs/dbraw/zinc/38/70/68/134387068.db2.gz PBVLQOMMQHUTPV-JQWIXIFHSA-N 0 3 238.400 3.326 20 0 BGADHN CCc1nc(CN2CC[C@@H](C)[C@@H]2CC)cs1 ZINC000185635210 134386822 /nfs/dbraw/zinc/38/68/22/134386822.db2.gz PBVLQOMMQHUTPV-PWSUYJOCSA-N 0 3 238.400 3.326 20 0 BGADHN CC[C@@H]1[C@H](C)CCN1Cc1nc2ccccc2[nH]1 ZINC000185635483 134386527 /nfs/dbraw/zinc/38/65/27/134386527.db2.gz ISUPTQNHRLQUPP-BXUZGUMPSA-N 0 3 243.354 3.183 20 0 BGADHN CC[C@H]1[C@H](C)CCN1Cc1nc2ccccc2[nH]1 ZINC000185635500 134386545 /nfs/dbraw/zinc/38/65/45/134386545.db2.gz ISUPTQNHRLQUPP-RISCZKNCSA-N 0 3 243.354 3.183 20 0 BGADHN CC[C@@H]1[C@@H](C)CCN1Cc1nc2ccccc2[nH]1 ZINC000185635516 134386496 /nfs/dbraw/zinc/38/64/96/134386496.db2.gz ISUPTQNHRLQUPP-SMDDNHRTSA-N 0 3 243.354 3.183 20 0 BGADHN CC[C@H]1[C@@H](C)CCN1Cc1nc2ccccc2[nH]1 ZINC000185635538 134388001 /nfs/dbraw/zinc/38/80/01/134388001.db2.gz ISUPTQNHRLQUPP-FZMZJTMJSA-N 0 3 243.354 3.183 20 0 BGADHN CC(C)CNC(C)(C)c1nc2ccccc2n1C ZINC000185642881 388589601 /nfs/dbraw/zinc/58/96/01/388589601.db2.gz FUVXLUYPCQTRAH-UHFFFAOYSA-N 0 3 245.370 3.054 20 0 BGADHN CC[C@@H]1[C@H](C)CCN1Cc1cn2ccsc2n1 ZINC000185650677 134387661 /nfs/dbraw/zinc/38/76/61/134387661.db2.gz SCNQHQGZHWQZNJ-ZYHUDNBSSA-N 0 3 249.383 3.016 20 0 BGADHN CC[C@H]1[C@H](C)CCN1Cc1cn2ccsc2n1 ZINC000185650692 134387899 /nfs/dbraw/zinc/38/78/99/134387899.db2.gz SCNQHQGZHWQZNJ-PWSUYJOCSA-N 0 3 249.383 3.016 20 0 BGADHN CC[C@@H]1[C@@H](C)CCN1Cc1cn2ccsc2n1 ZINC000185650716 134388121 /nfs/dbraw/zinc/38/81/21/134388121.db2.gz SCNQHQGZHWQZNJ-CMPLNLGQSA-N 0 3 249.383 3.016 20 0 BGADHN CC[C@H]1[C@@H](C)CCN1Cc1cn2ccsc2n1 ZINC000185650736 347207898 /nfs/dbraw/zinc/20/78/98/347207898.db2.gz SCNQHQGZHWQZNJ-JQWIXIFHSA-N 0 3 249.383 3.016 20 0 BGADHN CC[C@@H]1[C@H](C)CCN1Cc1ncc(C)s1 ZINC000185656537 171160786 /nfs/dbraw/zinc/16/07/86/171160786.db2.gz HWSUUUFENBZZNE-MWLCHTKSSA-N 0 3 224.373 3.072 20 0 BGADHN CC[C@H]1[C@H](C)CCN1Cc1ncc(C)s1 ZINC000185656559 384754175 /nfs/dbraw/zinc/75/41/75/384754175.db2.gz HWSUUUFENBZZNE-KOLCDFICSA-N 0 3 224.373 3.072 20 0 BGADHN CC[C@@H]1[C@@H](C)CCN1Cc1ncc(C)s1 ZINC000185656577 171157741 /nfs/dbraw/zinc/15/77/41/171157741.db2.gz HWSUUUFENBZZNE-GXSJLCMTSA-N 0 3 224.373 3.072 20 0 BGADHN CC[C@H]1[C@@H](C)CCN1Cc1ncc(C)s1 ZINC000185656598 384755782 /nfs/dbraw/zinc/75/57/82/384755782.db2.gz HWSUUUFENBZZNE-ONGXEEELSA-N 0 3 224.373 3.072 20 0 BGADHN CC[C@@H]1[C@H](C)CCN1Cc1ccncc1Cl ZINC000185663589 134388083 /nfs/dbraw/zinc/38/80/83/134388083.db2.gz HIMUGGPYAOQTTL-ZWNOBZJWSA-N 0 3 238.762 3.355 20 0 BGADHN CC[C@H]1[C@H](C)CCN1Cc1ccncc1Cl ZINC000185663609 134387589 /nfs/dbraw/zinc/38/75/89/134387589.db2.gz HIMUGGPYAOQTTL-MFKMUULPSA-N 0 3 238.762 3.355 20 0 BGADHN CC[C@@H]1[C@@H](C)CCN1Cc1ccncc1Cl ZINC000185663627 134387835 /nfs/dbraw/zinc/38/78/35/134387835.db2.gz HIMUGGPYAOQTTL-GXFFZTMASA-N 0 3 238.762 3.355 20 0 BGADHN CC[C@H]1[C@@H](C)CCN1Cc1ccncc1Cl ZINC000185663648 536180026 /nfs/dbraw/zinc/18/00/26/536180026.db2.gz HIMUGGPYAOQTTL-GWCFXTLKSA-N 0 3 238.762 3.355 20 0 BGADHN CC[C@@H]1[C@H](C)CCN1Cc1nccn1C(C)C ZINC000185664072 134388018 /nfs/dbraw/zinc/38/80/18/134388018.db2.gz GXIOROXQAVWBEL-CHWSQXEVSA-N 0 3 235.375 3.084 20 0 BGADHN CC[C@H]1[C@H](C)CCN1Cc1nccn1C(C)C ZINC000185664091 134387525 /nfs/dbraw/zinc/38/75/25/134387525.db2.gz GXIOROXQAVWBEL-OLZOCXBDSA-N 0 3 235.375 3.084 20 0 BGADHN CC[C@@H]1[C@@H](C)CCN1Cc1nccn1C(C)C ZINC000185664111 134388105 /nfs/dbraw/zinc/38/81/05/134388105.db2.gz GXIOROXQAVWBEL-QWHCGFSZSA-N 0 3 235.375 3.084 20 0 BGADHN CC[C@H]1[C@@H](C)CCN1Cc1nccn1C(C)C ZINC000185664132 134387509 /nfs/dbraw/zinc/38/75/09/134387509.db2.gz GXIOROXQAVWBEL-STQMWFEESA-N 0 3 235.375 3.084 20 0 BGADHN CC[C@@H]1[C@H](C)CCN1Cc1nc(C)c(C)s1 ZINC000185664344 134387425 /nfs/dbraw/zinc/38/74/25/134387425.db2.gz RJHWSGZXCVROEY-BXKDBHETSA-N 0 3 238.400 3.380 20 0 BGADHN CC[C@H]1[C@H](C)CCN1Cc1nc(C)c(C)s1 ZINC000185664363 134387936 /nfs/dbraw/zinc/38/79/36/134387936.db2.gz RJHWSGZXCVROEY-SKDRFNHKSA-N 0 3 238.400 3.380 20 0 BGADHN CC[C@@H]1[C@@H](C)CCN1Cc1nc(C)c(C)s1 ZINC000185664384 134387967 /nfs/dbraw/zinc/38/79/67/134387967.db2.gz RJHWSGZXCVROEY-JOYOIKCWSA-N 0 3 238.400 3.380 20 0 BGADHN CC[C@H]1[C@@H](C)CCN1Cc1nc(C)c(C)s1 ZINC000185664405 134387849 /nfs/dbraw/zinc/38/78/49/134387849.db2.gz RJHWSGZXCVROEY-CABZTGNLSA-N 0 3 238.400 3.380 20 0 BGADHN CC[C@@H]1[C@H](C)CCN1Cc1ccc(Cl)nc1 ZINC000185673658 171160847 /nfs/dbraw/zinc/16/08/47/171160847.db2.gz XCVNCFFLWFQNLG-ZYHUDNBSSA-N 0 3 238.762 3.355 20 0 BGADHN CC[C@H]1[C@H](C)CCN1Cc1ccc(Cl)nc1 ZINC000185673676 385734450 /nfs/dbraw/zinc/73/44/50/385734450.db2.gz XCVNCFFLWFQNLG-PWSUYJOCSA-N 0 3 238.762 3.355 20 0 BGADHN CC[C@@H]1[C@@H](C)CCN1Cc1ccc(Cl)nc1 ZINC000185673693 171155986 /nfs/dbraw/zinc/15/59/86/171155986.db2.gz XCVNCFFLWFQNLG-CMPLNLGQSA-N 0 3 238.762 3.355 20 0 BGADHN CC[C@H]1[C@@H](C)CCN1Cc1ccc(Cl)nc1 ZINC000185673707 385733887 /nfs/dbraw/zinc/73/38/87/385733887.db2.gz XCVNCFFLWFQNLG-JQWIXIFHSA-N 0 3 238.762 3.355 20 0 BGADHN CC[C@@H]1[C@H](C)CCN1Cc1noc2c1CCCC2 ZINC000185675102 538971009 /nfs/dbraw/zinc/97/10/09/538971009.db2.gz KZDQMOSXASBPTD-BXUZGUMPSA-N 0 3 248.370 3.174 20 0 BGADHN CC[C@H]1[C@H](C)CCN1Cc1noc2c1CCCC2 ZINC000185675124 538971018 /nfs/dbraw/zinc/97/10/18/538971018.db2.gz KZDQMOSXASBPTD-RISCZKNCSA-N 0 3 248.370 3.174 20 0 BGADHN CC[C@@H]1[C@@H](C)CCN1Cc1noc2c1CCCC2 ZINC000185675145 538970792 /nfs/dbraw/zinc/97/07/92/538970792.db2.gz KZDQMOSXASBPTD-SMDDNHRTSA-N 0 3 248.370 3.174 20 0 BGADHN CC[C@H]1[C@@H](C)CCN1Cc1noc2c1CCCC2 ZINC000185675165 538970935 /nfs/dbraw/zinc/97/09/35/538970935.db2.gz KZDQMOSXASBPTD-FZMZJTMJSA-N 0 3 248.370 3.174 20 0 BGADHN C#CCN1CCC(c2ccc(Cl)cc2)CC1 ZINC000185796930 643389535 /nfs/dbraw/zinc/38/95/35/643389535.db2.gz YKHZDXIHXOQTDV-UHFFFAOYSA-N 0 3 233.742 3.153 20 0 BGADHN CCc1ccc(CN2CC=C(COC)CC2)cc1 ZINC000185807724 397873298 /nfs/dbraw/zinc/87/32/98/397873298.db2.gz DINUWKSZHWABGG-UHFFFAOYSA-N 0 3 245.366 3.028 20 0 BGADHN COCC1=CCN(Cc2cc(C)ccc2C)CC1 ZINC000185826191 174116670 /nfs/dbraw/zinc/11/66/70/174116670.db2.gz KNKSXILYJQLPRW-UHFFFAOYSA-N 0 3 245.366 3.082 20 0 BGADHN COCC1=CCN([C@H](C)c2cccc(C)c2)CC1 ZINC000185835539 174115916 /nfs/dbraw/zinc/11/59/16/174115916.db2.gz DKITVYGMINMCQU-CQSZACIVSA-N 0 3 245.366 3.335 20 0 BGADHN COCC1=CCN([C@@H](C)c2cccc(C)c2)CC1 ZINC000185835560 174116683 /nfs/dbraw/zinc/11/66/83/174116683.db2.gz DKITVYGMINMCQU-AWEZNQCLSA-N 0 3 245.366 3.335 20 0 BGADHN COCC1=CCN(Cc2cc(C)cc(C)c2)CC1 ZINC000185842608 174117824 /nfs/dbraw/zinc/11/78/24/174117824.db2.gz JGTPKBAXTUKWBA-UHFFFAOYSA-N 0 3 245.366 3.082 20 0 BGADHN COCC1=CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000185845170 174117989 /nfs/dbraw/zinc/11/79/89/174117989.db2.gz YOQDHSSTPQKEII-LBPRGKRZSA-N 0 3 249.329 3.165 20 0 BGADHN COCC1=CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000185845183 174117796 /nfs/dbraw/zinc/11/77/96/174117796.db2.gz YOQDHSSTPQKEII-GFCCVEGCSA-N 0 3 249.329 3.165 20 0 BGADHN COCC1=CCN([C@@H](C)c2ccccc2)CC1 ZINC000185857198 174117599 /nfs/dbraw/zinc/11/75/99/174117599.db2.gz WQJQNSOBEULHAP-ZDUSSCGKSA-N 0 3 231.339 3.026 20 0 BGADHN COCC1=CCN([C@H](C)c2ccccc2)CC1 ZINC000185857218 174117537 /nfs/dbraw/zinc/11/75/37/174117537.db2.gz WQJQNSOBEULHAP-CYBMUJFWSA-N 0 3 231.339 3.026 20 0 BGADHN COCC1=CCN([C@@H](C)c2ccc(F)cc2)CC1 ZINC000185890476 134399163 /nfs/dbraw/zinc/39/91/63/134399163.db2.gz NCCPKQXMCBZQBI-LBPRGKRZSA-N 0 3 249.329 3.165 20 0 BGADHN COCC1=CCN([C@H](C)c2ccc(F)cc2)CC1 ZINC000185890498 134399099 /nfs/dbraw/zinc/39/90/99/134399099.db2.gz NCCPKQXMCBZQBI-GFCCVEGCSA-N 0 3 249.329 3.165 20 0 BGADHN CN(C)CCSCc1ccc(C(F)F)cc1 ZINC000185892313 535920592 /nfs/dbraw/zinc/92/05/92/535920592.db2.gz ONXIHXPHESSTJB-UHFFFAOYSA-N 0 3 245.338 3.419 20 0 BGADHN CCC[N@H+](Cc1cc([O-])cc(F)c1)CC1CC1 ZINC000186150182 387074122 /nfs/dbraw/zinc/07/41/22/387074122.db2.gz PBHMFGNAPFEQQR-UHFFFAOYSA-N 0 3 237.318 3.153 20 0 BGADHN CCC[N@@H+](Cc1cc([O-])cc(F)c1)CC1CC1 ZINC000186150182 387074120 /nfs/dbraw/zinc/07/41/20/387074120.db2.gz PBHMFGNAPFEQQR-UHFFFAOYSA-N 0 3 237.318 3.153 20 0 BGADHN COc1ccsc1[C@H](C)N[C@@H](C)CSC ZINC000186171700 175379449 /nfs/dbraw/zinc/37/94/49/175379449.db2.gz UMAFECRBLHOQDE-IUCAKERBSA-N 0 3 245.413 3.159 20 0 BGADHN COc1ccsc1[C@H](C)N[C@H](C)CSC ZINC000186171717 175380372 /nfs/dbraw/zinc/38/03/72/175380372.db2.gz UMAFECRBLHOQDE-BDAKNGLRSA-N 0 3 245.413 3.159 20 0 BGADHN COc1ccsc1[C@@H](C)N[C@@H](C)CSC ZINC000186171732 175379409 /nfs/dbraw/zinc/37/94/09/175379409.db2.gz UMAFECRBLHOQDE-DTWKUNHWSA-N 0 3 245.413 3.159 20 0 BGADHN COc1ccsc1[C@@H](C)N[C@H](C)CSC ZINC000186171749 175380039 /nfs/dbraw/zinc/38/00/39/175380039.db2.gz UMAFECRBLHOQDE-RKDXNWHRSA-N 0 3 245.413 3.159 20 0 BGADHN CCSCCN1Cc2ccccc2C2(CC2)C1 ZINC000186172986 387073478 /nfs/dbraw/zinc/07/34/78/387073478.db2.gz BIFXNNGJVAKZIO-UHFFFAOYSA-N 0 3 247.407 3.287 20 0 BGADHN CCSc1cccc(CN(C)CC)c1 ZINC000186174956 387074596 /nfs/dbraw/zinc/07/45/96/387074596.db2.gz NXXXEAICZUMTTH-UHFFFAOYSA-N 0 3 209.358 3.250 20 0 BGADHN [O-]c1cc(F)cc(C[N@@H+](C2CC2)C2CCCC2)c1 ZINC000186179132 346494722 /nfs/dbraw/zinc/49/47/22/346494722.db2.gz BTUBVRLCWAAIBX-UHFFFAOYSA-N 0 3 249.329 3.438 20 0 BGADHN [O-]c1cc(F)cc(C[N@H+](C2CC2)C2CCCC2)c1 ZINC000186179132 346494720 /nfs/dbraw/zinc/49/47/20/346494720.db2.gz BTUBVRLCWAAIBX-UHFFFAOYSA-N 0 3 249.329 3.438 20 0 BGADHN CCSc1cccc(CN(C)C2CC2)c1 ZINC000186182356 387073826 /nfs/dbraw/zinc/07/38/26/387073826.db2.gz RSMZFULWXAEFIX-UHFFFAOYSA-N 0 3 221.369 3.393 20 0 BGADHN CC(C)C[N@@H+](Cc1cc([O-])cc(F)c1)C1CC1 ZINC000186187118 387073443 /nfs/dbraw/zinc/07/34/43/387073443.db2.gz BDHHAFKCYWBWNR-UHFFFAOYSA-N 0 3 237.318 3.152 20 0 BGADHN CC(C)C[N@H+](Cc1cc([O-])cc(F)c1)C1CC1 ZINC000186187118 387073439 /nfs/dbraw/zinc/07/34/39/387073439.db2.gz BDHHAFKCYWBWNR-UHFFFAOYSA-N 0 3 237.318 3.152 20 0 BGADHN C[C@@H](C1CC1)[N@@H+](Cc1cc([O-])cc(F)c1)C1CC1 ZINC000186187195 387074486 /nfs/dbraw/zinc/07/44/86/387074486.db2.gz XUDWJEUXYUFXLK-JTQLQIEISA-N 0 3 249.329 3.294 20 0 BGADHN C[C@@H](C1CC1)[N@H+](Cc1cc([O-])cc(F)c1)C1CC1 ZINC000186187195 387074481 /nfs/dbraw/zinc/07/44/81/387074481.db2.gz XUDWJEUXYUFXLK-JTQLQIEISA-N 0 3 249.329 3.294 20 0 BGADHN C[C@H](C1CC1)[N@@H+](Cc1cc([O-])cc(F)c1)C1CC1 ZINC000186187211 387073213 /nfs/dbraw/zinc/07/32/13/387073213.db2.gz XUDWJEUXYUFXLK-SNVBAGLBSA-N 0 3 249.329 3.294 20 0 BGADHN C[C@H](C1CC1)[N@H+](Cc1cc([O-])cc(F)c1)C1CC1 ZINC000186187211 387073210 /nfs/dbraw/zinc/07/32/10/387073210.db2.gz XUDWJEUXYUFXLK-SNVBAGLBSA-N 0 3 249.329 3.294 20 0 BGADHN CC(C)C1(C)CCN(Cc2ccccn2)CC1 ZINC000186190194 385753127 /nfs/dbraw/zinc/75/31/27/385753127.db2.gz HITMDDRDNYQUKZ-UHFFFAOYSA-N 0 3 232.371 3.340 20 0 BGADHN CC(C)C1(C)CCN(Cc2ccncc2)CC1 ZINC000186192572 385751569 /nfs/dbraw/zinc/75/15/69/385751569.db2.gz GXABGOWJJALHKY-UHFFFAOYSA-N 0 3 232.371 3.340 20 0 BGADHN CC(C)C1(C)CCN([C@@H](C)c2cnccn2)CC1 ZINC000186193228 187311937 /nfs/dbraw/zinc/31/19/37/187311937.db2.gz NRNZPSCJANBYSE-ZDUSSCGKSA-N 0 3 247.386 3.296 20 0 BGADHN CC(C)C1(C)CCN([C@H](C)c2cnccn2)CC1 ZINC000186193249 384828070 /nfs/dbraw/zinc/82/80/70/384828070.db2.gz NRNZPSCJANBYSE-CYBMUJFWSA-N 0 3 247.386 3.296 20 0 BGADHN CC(C)C1(C)CCN(Cc2cccnc2)CC1 ZINC000186196042 219873277 /nfs/dbraw/zinc/87/32/77/219873277.db2.gz HGKQZDIBYZBOLY-UHFFFAOYSA-N 0 3 232.371 3.340 20 0 BGADHN C[C@@H](CCC1CC1)N[C@@H](C)c1ccccn1 ZINC000186201183 385748045 /nfs/dbraw/zinc/74/80/45/385748045.db2.gz JDJSSWRSLDNVSY-RYUDHWBXSA-N 0 3 218.344 3.311 20 0 BGADHN C[C@H](CCC1CC1)N[C@@H](C)c1ccccn1 ZINC000186201200 385746045 /nfs/dbraw/zinc/74/60/45/385746045.db2.gz JDJSSWRSLDNVSY-NEPJUHHUSA-N 0 3 218.344 3.311 20 0 BGADHN C[C@@H](N[C@@H](C)CCC1CC1)c1ccccn1 ZINC000186201217 385747823 /nfs/dbraw/zinc/74/78/23/385747823.db2.gz JDJSSWRSLDNVSY-NWDGAFQWSA-N 0 3 218.344 3.311 20 0 BGADHN C[C@H](CCC1CC1)N[C@H](C)c1ccccn1 ZINC000186201232 385747132 /nfs/dbraw/zinc/74/71/32/385747132.db2.gz JDJSSWRSLDNVSY-VXGBXAGGSA-N 0 3 218.344 3.311 20 0 BGADHN C[N@@H+](Cc1cc([O-])cc(F)c1)C(C1CC1)C1CC1 ZINC000186201704 384830231 /nfs/dbraw/zinc/83/02/31/384830231.db2.gz QVGUHFHJIXNLRS-UHFFFAOYSA-N 0 3 249.329 3.152 20 0 BGADHN C[N@H+](Cc1cc([O-])cc(F)c1)C(C1CC1)C1CC1 ZINC000186201704 384830226 /nfs/dbraw/zinc/83/02/26/384830226.db2.gz QVGUHFHJIXNLRS-UHFFFAOYSA-N 0 3 249.329 3.152 20 0 BGADHN [O-]c1cc(F)cc(C[N@H+]2CCC[C@@H]2C2CCC2)c1 ZINC000186204841 387081998 /nfs/dbraw/zinc/08/19/98/387081998.db2.gz FDJCZLPTYQPHIU-OAHLLOKOSA-N 0 3 249.329 3.296 20 0 BGADHN [O-]c1cc(F)cc(C[N@@H+]2CCC[C@@H]2C2CCC2)c1 ZINC000186204841 387081995 /nfs/dbraw/zinc/08/19/95/387081995.db2.gz FDJCZLPTYQPHIU-OAHLLOKOSA-N 0 3 249.329 3.296 20 0 BGADHN [O-]c1cc(F)cc(C[N@H+]2CCC[C@H]2C2CCC2)c1 ZINC000186204862 387080566 /nfs/dbraw/zinc/08/05/66/387080566.db2.gz FDJCZLPTYQPHIU-HNNXBMFYSA-N 0 3 249.329 3.296 20 0 BGADHN [O-]c1cc(F)cc(C[N@@H+]2CCC[C@H]2C2CCC2)c1 ZINC000186204862 387080561 /nfs/dbraw/zinc/08/05/61/387080561.db2.gz FDJCZLPTYQPHIU-HNNXBMFYSA-N 0 3 249.329 3.296 20 0 BGADHN CSCCCN1Cc2ccccc2C2(CC2)C1 ZINC000186217106 387083745 /nfs/dbraw/zinc/08/37/45/387083745.db2.gz HAKINJJKEFRTNH-UHFFFAOYSA-N 0 3 247.407 3.287 20 0 BGADHN COc1ccsc1[C@H](C)NC[C@H](C)SC ZINC000186227212 175379435 /nfs/dbraw/zinc/37/94/35/175379435.db2.gz ZYGVEWLBRZQAMY-IUCAKERBSA-N 0 3 245.413 3.159 20 0 BGADHN COc1ccsc1[C@H](C)NC[C@@H](C)SC ZINC000186227229 175379348 /nfs/dbraw/zinc/37/93/48/175379348.db2.gz ZYGVEWLBRZQAMY-BDAKNGLRSA-N 0 3 245.413 3.159 20 0 BGADHN COc1ccsc1[C@@H](C)NC[C@H](C)SC ZINC000186227247 175379186 /nfs/dbraw/zinc/37/91/86/175379186.db2.gz ZYGVEWLBRZQAMY-DTWKUNHWSA-N 0 3 245.413 3.159 20 0 BGADHN COc1ccsc1[C@@H](C)NC[C@@H](C)SC ZINC000186227266 175379523 /nfs/dbraw/zinc/37/95/23/175379523.db2.gz ZYGVEWLBRZQAMY-RKDXNWHRSA-N 0 3 245.413 3.159 20 0 BGADHN [O-]c1cc(F)cc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC000186229661 385750687 /nfs/dbraw/zinc/75/06/87/385750687.db2.gz GRAXIBMPYFLEIZ-BETUJISGSA-N 0 3 249.329 3.153 20 0 BGADHN [O-]c1cc(F)cc(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC000186229661 385750681 /nfs/dbraw/zinc/75/06/81/385750681.db2.gz GRAXIBMPYFLEIZ-BETUJISGSA-N 0 3 249.329 3.153 20 0 BGADHN [O-]c1cc(F)cc(C[NH+]2C[C@H]3CCCC[C@@H]3C2)c1 ZINC000186229678 385749373 /nfs/dbraw/zinc/74/93/73/385749373.db2.gz GRAXIBMPYFLEIZ-CHWSQXEVSA-N 0 3 249.329 3.153 20 0 BGADHN [O-]c1cc(F)cc(C[NH+]2C[C@@H]3CCCC[C@H]3C2)c1 ZINC000186229698 385748915 /nfs/dbraw/zinc/74/89/15/385748915.db2.gz GRAXIBMPYFLEIZ-STQMWFEESA-N 0 3 249.329 3.153 20 0 BGADHN CCOc1ncccc1CN[C@@H](C)CCC1CC1 ZINC000186237058 256863251 /nfs/dbraw/zinc/86/32/51/256863251.db2.gz CBCCEBZHFQXNOQ-LBPRGKRZSA-N 0 3 248.370 3.149 20 0 BGADHN CCOc1ncccc1CN[C@H](C)CCC1CC1 ZINC000186237076 388597701 /nfs/dbraw/zinc/59/77/01/388597701.db2.gz CBCCEBZHFQXNOQ-GFCCVEGCSA-N 0 3 248.370 3.149 20 0 BGADHN CC(C)[N@@H+](Cc1cc([O-])cc(F)c1)C1CCC1 ZINC000186238834 387083717 /nfs/dbraw/zinc/08/37/17/387083717.db2.gz GRUQAROUUXMMPC-UHFFFAOYSA-N 0 3 237.318 3.294 20 0 BGADHN CC(C)[N@H+](Cc1cc([O-])cc(F)c1)C1CCC1 ZINC000186238834 387083715 /nfs/dbraw/zinc/08/37/15/387083715.db2.gz GRUQAROUUXMMPC-UHFFFAOYSA-N 0 3 237.318 3.294 20 0 BGADHN Cc1cccc(CN[C@@H](C)CCC2CC2)n1 ZINC000186262362 346499288 /nfs/dbraw/zinc/49/92/88/346499288.db2.gz UBCPNRFKCPAELT-NSHDSACASA-N 0 3 218.344 3.058 20 0 BGADHN Cc1cccc(CN[C@H](C)CCC2CC2)n1 ZINC000186262377 346499122 /nfs/dbraw/zinc/49/91/22/346499122.db2.gz UBCPNRFKCPAELT-LLVKDONJSA-N 0 3 218.344 3.058 20 0 BGADHN C[C@H]([N@@H+](C)Cc1cc([O-])cc(F)c1)C1(C)CC1 ZINC000186266036 387090161 /nfs/dbraw/zinc/09/01/61/387090161.db2.gz FNQIXXMXAIXCFB-JTQLQIEISA-N 0 3 237.318 3.152 20 0 BGADHN C[C@H]([N@H+](C)Cc1cc([O-])cc(F)c1)C1(C)CC1 ZINC000186266036 387090155 /nfs/dbraw/zinc/09/01/55/387090155.db2.gz FNQIXXMXAIXCFB-JTQLQIEISA-N 0 3 237.318 3.152 20 0 BGADHN C[C@@H]([N@@H+](C)Cc1cc([O-])cc(F)c1)C1(C)CC1 ZINC000186266052 387091654 /nfs/dbraw/zinc/09/16/54/387091654.db2.gz FNQIXXMXAIXCFB-SNVBAGLBSA-N 0 3 237.318 3.152 20 0 BGADHN C[C@@H]([N@H+](C)Cc1cc([O-])cc(F)c1)C1(C)CC1 ZINC000186266052 387091649 /nfs/dbraw/zinc/09/16/49/387091649.db2.gz FNQIXXMXAIXCFB-SNVBAGLBSA-N 0 3 237.318 3.152 20 0 BGADHN Cc1ccc(CNCCC[C@@H]2CCCCO2)o1 ZINC000186287039 384833754 /nfs/dbraw/zinc/83/37/54/384833754.db2.gz OBWFPHBSSRTLFH-ZDUSSCGKSA-N 0 3 237.343 3.027 20 0 BGADHN Cc1ccc(CNCCC[C@H]2CCCCO2)o1 ZINC000186287053 384832691 /nfs/dbraw/zinc/83/26/91/384832691.db2.gz OBWFPHBSSRTLFH-CYBMUJFWSA-N 0 3 237.343 3.027 20 0 BGADHN C[C@@H](CCC1CC1)N[C@@H](C)c1nccs1 ZINC000186326516 385757225 /nfs/dbraw/zinc/75/72/25/385757225.db2.gz GLHHPIKDXGTBLY-UWVGGRQHSA-N 0 3 224.373 3.372 20 0 BGADHN C[C@H](CCC1CC1)N[C@@H](C)c1nccs1 ZINC000186326532 385758663 /nfs/dbraw/zinc/75/86/63/385758663.db2.gz GLHHPIKDXGTBLY-ZJUUUORDSA-N 0 3 224.373 3.372 20 0 BGADHN C[C@@H](N[C@@H](C)CCC1CC1)c1nccs1 ZINC000186326551 385757184 /nfs/dbraw/zinc/75/71/84/385757184.db2.gz GLHHPIKDXGTBLY-VHSXEESVSA-N 0 3 224.373 3.372 20 0 BGADHN C[C@H](CCC1CC1)N[C@H](C)c1nccs1 ZINC000186326568 385758695 /nfs/dbraw/zinc/75/86/95/385758695.db2.gz GLHHPIKDXGTBLY-NXEZZACHSA-N 0 3 224.373 3.372 20 0 BGADHN Cc1cccnc1CN[C@@H](C)CCC1CC1 ZINC000186328086 385757351 /nfs/dbraw/zinc/75/73/51/385757351.db2.gz CJKQJPDJUBXSOF-LBPRGKRZSA-N 0 3 218.344 3.058 20 0 BGADHN Cc1cccnc1CN[C@H](C)CCC1CC1 ZINC000186328107 534849432 /nfs/dbraw/zinc/84/94/32/534849432.db2.gz CJKQJPDJUBXSOF-GFCCVEGCSA-N 0 3 218.344 3.058 20 0 BGADHN C[C@@H](CCC1CC1)[NH2+]Cc1ccc([O-])c(F)c1 ZINC000186348832 643681792 /nfs/dbraw/zinc/68/17/92/643681792.db2.gz FQPFETHJFPKBNA-JTQLQIEISA-N 0 3 237.318 3.200 20 0 BGADHN C[C@H](CCC1CC1)[NH2+]Cc1ccc([O-])c(F)c1 ZINC000186348853 643683575 /nfs/dbraw/zinc/68/35/75/643683575.db2.gz FQPFETHJFPKBNA-SNVBAGLBSA-N 0 3 237.318 3.200 20 0 BGADHN CC(C)Cn1ccnc1CN[C@@H](C)CCC1CC1 ZINC000186357019 388599403 /nfs/dbraw/zinc/59/94/03/388599403.db2.gz ZFXKHNQWLQQXBW-ZDUSSCGKSA-N 0 3 249.402 3.207 20 0 BGADHN CC(C)Cn1ccnc1CN[C@H](C)CCC1CC1 ZINC000186357035 384360371 /nfs/dbraw/zinc/36/03/71/384360371.db2.gz ZFXKHNQWLQQXBW-CYBMUJFWSA-N 0 3 249.402 3.207 20 0 BGADHN Cc1cnc(CN[C@@H](C)CCC2CC2)s1 ZINC000186361359 323091286 /nfs/dbraw/zinc/09/12/86/323091286.db2.gz SGSRREOQDSZICX-VIFPVBQESA-N 0 3 224.373 3.120 20 0 BGADHN Cc1cnc(CN[C@H](C)CCC2CC2)s1 ZINC000186361373 385754999 /nfs/dbraw/zinc/75/49/99/385754999.db2.gz SGSRREOQDSZICX-SECBINFHSA-N 0 3 224.373 3.120 20 0 BGADHN Cc1nc(CN[C@@H](C)CCC2CC2)sc1C ZINC000186367057 385758729 /nfs/dbraw/zinc/75/87/29/385758729.db2.gz HPPVPGYWDIAIHB-VIFPVBQESA-N 0 3 238.400 3.428 20 0 BGADHN Cc1nc(CN[C@H](C)CCC2CC2)sc1C ZINC000186367069 385757162 /nfs/dbraw/zinc/75/71/62/385757162.db2.gz HPPVPGYWDIAIHB-SECBINFHSA-N 0 3 238.400 3.428 20 0 BGADHN COC[C@H](N[C@@H](C)CCC1CC1)c1ccco1 ZINC000186370817 384838588 /nfs/dbraw/zinc/83/85/88/384838588.db2.gz YTKDBVLGNUHPHI-AAEUAGOBSA-N 0 3 237.343 3.135 20 0 BGADHN COC[C@H](N[C@H](C)CCC1CC1)c1ccco1 ZINC000186370836 384839696 /nfs/dbraw/zinc/83/96/96/384839696.db2.gz YTKDBVLGNUHPHI-YPMHNXCESA-N 0 3 237.343 3.135 20 0 BGADHN COC[C@@H](N[C@@H](C)CCC1CC1)c1ccco1 ZINC000186370853 384840381 /nfs/dbraw/zinc/84/03/81/384840381.db2.gz YTKDBVLGNUHPHI-WCQYABFASA-N 0 3 237.343 3.135 20 0 BGADHN COC[C@@H](N[C@H](C)CCC1CC1)c1ccco1 ZINC000186370872 384837595 /nfs/dbraw/zinc/83/75/95/384837595.db2.gz YTKDBVLGNUHPHI-DGCLKSJQSA-N 0 3 237.343 3.135 20 0 BGADHN C[C@@H](CCC1CC1)NCc1ccc(Cl)cn1 ZINC000186442757 385760956 /nfs/dbraw/zinc/76/09/56/385760956.db2.gz GJKANNRNRYPWTN-JTQLQIEISA-N 0 3 238.762 3.403 20 0 BGADHN C[C@H](CCC1CC1)NCc1ccc(Cl)cn1 ZINC000186442775 385761481 /nfs/dbraw/zinc/76/14/81/385761481.db2.gz GJKANNRNRYPWTN-SNVBAGLBSA-N 0 3 238.762 3.403 20 0 BGADHN CCc1ccc(CNC2Cc3ccccc3C2)o1 ZINC000186444898 385762228 /nfs/dbraw/zinc/76/22/28/385762228.db2.gz FPUBXOXAOJTMGT-UHFFFAOYSA-N 0 3 241.334 3.099 20 0 BGADHN COC1(CN[C@@H](C)c2ccccn2)CCCCC1 ZINC000186508339 174002979 /nfs/dbraw/zinc/00/29/79/174002979.db2.gz IJGRDZCQQWFNBT-ZDUSSCGKSA-N 0 3 248.370 3.082 20 0 BGADHN COC1(CN[C@H](C)c2ccccn2)CCCCC1 ZINC000186508355 174004507 /nfs/dbraw/zinc/00/45/07/174004507.db2.gz IJGRDZCQQWFNBT-CYBMUJFWSA-N 0 3 248.370 3.082 20 0 BGADHN CCC[C@H](NCC1(OC)CCC1)c1cccnc1 ZINC000186509126 346514941 /nfs/dbraw/zinc/51/49/41/346514941.db2.gz HPQZMHKCTUSYFQ-AWEZNQCLSA-N 0 3 248.370 3.082 20 0 BGADHN CCC[C@@H](NCC1(OC)CCC1)c1cccnc1 ZINC000186509141 346515490 /nfs/dbraw/zinc/51/54/90/346515490.db2.gz HPQZMHKCTUSYFQ-CQSZACIVSA-N 0 3 248.370 3.082 20 0 BGADHN COC1(CN[C@@H](C)c2ccoc2)CCCCC1 ZINC000186513656 346516275 /nfs/dbraw/zinc/51/62/75/346516275.db2.gz WQGDUEZDGYQVGT-LBPRGKRZSA-N 0 3 237.343 3.280 20 0 BGADHN COC1(CN[C@H](C)c2ccoc2)CCCCC1 ZINC000186513674 346516089 /nfs/dbraw/zinc/51/60/89/346516089.db2.gz WQGDUEZDGYQVGT-GFCCVEGCSA-N 0 3 237.343 3.280 20 0 BGADHN CC(C)CC[C@@H](C)N[C@@H](CCO)c1ccco1 ZINC000186515707 384846978 /nfs/dbraw/zinc/84/69/78/384846978.db2.gz UOFFDWDEDPYRHX-OLZOCXBDSA-N 0 3 239.359 3.117 20 0 BGADHN CC(C)CC[C@H](C)N[C@@H](CCO)c1ccco1 ZINC000186515722 347235577 /nfs/dbraw/zinc/23/55/77/347235577.db2.gz UOFFDWDEDPYRHX-STQMWFEESA-N 0 3 239.359 3.117 20 0 BGADHN CC(C)CC[C@@H](C)N[C@H](CCO)c1ccco1 ZINC000186515741 384846727 /nfs/dbraw/zinc/84/67/27/384846727.db2.gz UOFFDWDEDPYRHX-CHWSQXEVSA-N 0 3 239.359 3.117 20 0 BGADHN CC(C)CC[C@H](C)N[C@H](CCO)c1ccco1 ZINC000186515756 347235276 /nfs/dbraw/zinc/23/52/76/347235276.db2.gz UOFFDWDEDPYRHX-QWHCGFSZSA-N 0 3 239.359 3.117 20 0 BGADHN COC1(CN[C@@H](C)c2ccco2)CCCCC1 ZINC000186517788 174003671 /nfs/dbraw/zinc/00/36/71/174003671.db2.gz YOOUHURKWIFHLP-LBPRGKRZSA-N 0 3 237.343 3.280 20 0 BGADHN COC1(CN[C@H](C)c2ccco2)CCCCC1 ZINC000186517806 174005289 /nfs/dbraw/zinc/00/52/89/174005289.db2.gz YOOUHURKWIFHLP-GFCCVEGCSA-N 0 3 237.343 3.280 20 0 BGADHN CCCCC[C@@H](C)N[C@@H](CCO)c1ccco1 ZINC000186519857 384850004 /nfs/dbraw/zinc/85/00/04/384850004.db2.gz WVMAUVSSPUEVGB-OLZOCXBDSA-N 0 3 239.359 3.262 20 0 BGADHN CCCCC[C@H](C)N[C@@H](CCO)c1ccco1 ZINC000186519875 384851335 /nfs/dbraw/zinc/85/13/35/384851335.db2.gz WVMAUVSSPUEVGB-STQMWFEESA-N 0 3 239.359 3.262 20 0 BGADHN CCCCC[C@@H](C)N[C@H](CCO)c1ccco1 ZINC000186519892 384851408 /nfs/dbraw/zinc/85/14/08/384851408.db2.gz WVMAUVSSPUEVGB-CHWSQXEVSA-N 0 3 239.359 3.262 20 0 BGADHN CCCCC[C@H](C)N[C@H](CCO)c1ccco1 ZINC000186519910 384851393 /nfs/dbraw/zinc/85/13/93/384851393.db2.gz WVMAUVSSPUEVGB-QWHCGFSZSA-N 0 3 239.359 3.262 20 0 BGADHN CCOC(C)(C)CNCc1cc(F)ccc1C ZINC000186532161 170312949 /nfs/dbraw/zinc/31/29/49/170312949.db2.gz WLKPHYATXOFSGJ-UHFFFAOYSA-N 0 3 239.334 3.039 20 0 BGADHN CCCC(CCC)N[C@@H](CCO)c1ccco1 ZINC000186534237 384851320 /nfs/dbraw/zinc/85/13/20/384851320.db2.gz QGJCYTJEAJADII-ZDUSSCGKSA-N 0 3 239.359 3.262 20 0 BGADHN CCCC(CCC)N[C@H](CCO)c1ccco1 ZINC000186534256 384850726 /nfs/dbraw/zinc/85/07/26/384850726.db2.gz QGJCYTJEAJADII-CYBMUJFWSA-N 0 3 239.359 3.262 20 0 BGADHN CCC1(CC)CCN(Cc2cccnc2)CC1 ZINC000186538662 411410161 /nfs/dbraw/zinc/41/01/61/411410161.db2.gz FUEJVSFZZDIQRY-UHFFFAOYSA-N 0 3 232.371 3.484 20 0 BGADHN CCC1(CC)CCN(Cc2ccncc2)CC1 ZINC000186546325 398055368 /nfs/dbraw/zinc/05/53/68/398055368.db2.gz MCFVSIQHHOPQKM-UHFFFAOYSA-N 0 3 232.371 3.484 20 0 BGADHN CCC1(CC)CCN(Cc2ccccn2)CC1 ZINC000186556763 387109761 /nfs/dbraw/zinc/10/97/61/387109761.db2.gz BAGIQHTXEWIDDL-UHFFFAOYSA-N 0 3 232.371 3.484 20 0 BGADHN CCCCNC(C)(C)c1nc2ccccc2n1C ZINC000186557892 398093383 /nfs/dbraw/zinc/09/33/83/398093383.db2.gz CRZFIAXCTNFNCK-UHFFFAOYSA-N 0 3 245.370 3.198 20 0 BGADHN CN(Cc1ccccc1)C[C@H]1CCC(C)(C)O1 ZINC000186559137 387109636 /nfs/dbraw/zinc/10/96/36/387109636.db2.gz KMWRDQIFKKSICE-CQSZACIVSA-N 0 3 233.355 3.076 20 0 BGADHN CN(Cc1ccccc1)C[C@@H]1CCC(C)(C)O1 ZINC000186559158 387110080 /nfs/dbraw/zinc/11/00/80/387110080.db2.gz KMWRDQIFKKSICE-AWEZNQCLSA-N 0 3 233.355 3.076 20 0 BGADHN OCC[C@@H](NC1CCCCCC1)c1ccco1 ZINC000186561087 183090029 /nfs/dbraw/zinc/09/00/29/183090029.db2.gz GFWOXGNOMCJMKG-CYBMUJFWSA-N 0 3 237.343 3.016 20 0 BGADHN OCC[C@H](NC1CCCCCC1)c1ccco1 ZINC000186561103 183096914 /nfs/dbraw/zinc/09/69/14/183096914.db2.gz GFWOXGNOMCJMKG-ZDUSSCGKSA-N 0 3 237.343 3.016 20 0 BGADHN Cc1ccc(CN2CCCC[C@@H]2C)c(C)n1 ZINC000186562156 387109188 /nfs/dbraw/zinc/10/91/88/387109188.db2.gz SVUAMVAYJOYVFJ-LBPRGKRZSA-N 0 3 218.344 3.073 20 0 BGADHN Cc1ccc(CN2CCCC[C@H]2C)c(C)n1 ZINC000186562183 387109697 /nfs/dbraw/zinc/10/96/97/387109697.db2.gz SVUAMVAYJOYVFJ-GFCCVEGCSA-N 0 3 218.344 3.073 20 0 BGADHN CCC1(CC)CCN([C@@H](C)c2cnccn2)CC1 ZINC000186563563 384854943 /nfs/dbraw/zinc/85/49/43/384854943.db2.gz WOMPRWOCKTUYEK-ZDUSSCGKSA-N 0 3 247.386 3.440 20 0 BGADHN CCC1(CC)CCN([C@H](C)c2cnccn2)CC1 ZINC000186563584 168459093 /nfs/dbraw/zinc/45/90/93/168459093.db2.gz WOMPRWOCKTUYEK-CYBMUJFWSA-N 0 3 247.386 3.440 20 0 BGADHN c1csc(CN2CCCC3(CC3)C2)c1 ZINC000186606950 384858305 /nfs/dbraw/zinc/85/83/05/384858305.db2.gz IGZLVXMLBMMWHM-UHFFFAOYSA-N 0 3 207.342 3.124 20 0 BGADHN c1cc(CN2CCCC3(CC3)C2)cs1 ZINC000186607106 183339655 /nfs/dbraw/zinc/33/96/55/183339655.db2.gz KWFDHBRGHPESCM-UHFFFAOYSA-N 0 3 207.342 3.124 20 0 BGADHN Cc1nc(C)c(CN2CCCC3(CC3)C2)s1 ZINC000186609474 346523171 /nfs/dbraw/zinc/52/31/71/346523171.db2.gz QSCDZFUWOVIJIV-UHFFFAOYSA-N 0 3 236.384 3.136 20 0 BGADHN Fc1ccccc1CCN1CCCC2(CC2)C1 ZINC000186616188 387117112 /nfs/dbraw/zinc/11/71/12/387117112.db2.gz YGZUSSBAZSZDQH-UHFFFAOYSA-N 0 3 233.330 3.244 20 0 BGADHN COc1ccc(CN2CCCC3(CC3)C2)cc1 ZINC000186616502 384859820 /nfs/dbraw/zinc/85/98/20/384859820.db2.gz LWBGCWVDLIAJJD-UHFFFAOYSA-N 0 3 231.339 3.071 20 0 BGADHN Fc1ccc(CN2CCCC3(CC3)C2)cc1 ZINC000186618247 387117056 /nfs/dbraw/zinc/11/70/56/387117056.db2.gz CUYYYSIDGFLTRU-UHFFFAOYSA-N 0 3 219.303 3.202 20 0 BGADHN Fc1ccccc1CN1CCCC2(CC2)C1 ZINC000186618971 387117545 /nfs/dbraw/zinc/11/75/45/387117545.db2.gz XCWVKRVIIJAZTP-UHFFFAOYSA-N 0 3 219.303 3.202 20 0 BGADHN COCc1cccc(CN2CCCC3(CC3)C2)c1 ZINC000186619965 384857997 /nfs/dbraw/zinc/85/79/97/384857997.db2.gz UOPANRVTCUATBX-UHFFFAOYSA-N 0 3 245.366 3.209 20 0 BGADHN CCc1ccc(CN2CCCC3(CC3)C2)o1 ZINC000186620044 136220435 /nfs/dbraw/zinc/22/04/35/136220435.db2.gz JYOHCIJTUHXCDH-UHFFFAOYSA-N 0 3 219.328 3.218 20 0 BGADHN COc1ccccc1CN1CCCC2(CC2)C1 ZINC000186620505 175326170 /nfs/dbraw/zinc/32/61/70/175326170.db2.gz RFGOBMVTOOHALK-UHFFFAOYSA-N 0 3 231.339 3.071 20 0 BGADHN COc1ccc(CN2CCCC3(CC3)C2)cc1F ZINC000186621921 187312153 /nfs/dbraw/zinc/31/21/53/187312153.db2.gz YMTNLSGTSRWOFI-UHFFFAOYSA-N 0 3 249.329 3.210 20 0 BGADHN CCOc1ccccc1CN1CCCC2(CC2)C1 ZINC000186622848 387116753 /nfs/dbraw/zinc/11/67/53/387116753.db2.gz ZXYOVPSSXQDTGQ-UHFFFAOYSA-N 0 3 245.366 3.461 20 0 BGADHN CC(C)(C)c1n[nH]cc1CN1CCCC2(CC2)C1 ZINC000186623039 387116716 /nfs/dbraw/zinc/11/67/16/387116716.db2.gz LEEWQDJZVTVHOG-UHFFFAOYSA-N 0 3 247.386 3.083 20 0 BGADHN COc1cccc(CN2CCCC3(CC3)C2)c1 ZINC000186624292 387117211 /nfs/dbraw/zinc/11/72/11/387117211.db2.gz UJGWIZXZAFFZSS-UHFFFAOYSA-N 0 3 231.339 3.071 20 0 BGADHN CCOc1ccc(CN2CCCC3(CC3)C2)cc1 ZINC000186624320 387116261 /nfs/dbraw/zinc/11/62/61/387116261.db2.gz ZKKSTPFUVLLZHX-UHFFFAOYSA-N 0 3 245.366 3.461 20 0 BGADHN CCOc1cccc(CN2CCCC3(CC3)C2)c1 ZINC000186625378 387117791 /nfs/dbraw/zinc/11/77/91/387117791.db2.gz NVBMSHRCMIIHBC-UHFFFAOYSA-N 0 3 245.366 3.461 20 0 BGADHN Fc1cccc(CN2CCCC3(CC3)C2)c1 ZINC000186625478 387116075 /nfs/dbraw/zinc/11/60/75/387116075.db2.gz QRJYMLOJOHZIDH-UHFFFAOYSA-N 0 3 219.303 3.202 20 0 BGADHN CN(C)CCSCCCCc1ccccc1 ZINC000186629957 387115691 /nfs/dbraw/zinc/11/56/91/387115691.db2.gz HLBUSMGEPRSBFT-UHFFFAOYSA-N 0 3 237.412 3.304 20 0 BGADHN CC(C)OCCN[C@@H]1CC(C)(C)c2ccccc21 ZINC000186635323 538974062 /nfs/dbraw/zinc/97/40/62/538974062.db2.gz MDDQYSQFOXMIID-OAHLLOKOSA-N 0 3 247.382 3.424 20 0 BGADHN CC(C)OCCN[C@H]1CC(C)(C)c2ccccc21 ZINC000186635342 538973949 /nfs/dbraw/zinc/97/39/49/538973949.db2.gz MDDQYSQFOXMIID-HNNXBMFYSA-N 0 3 247.382 3.424 20 0 BGADHN CC(C)=CCN1CC[C@]2(C1)OCc1ccccc12 ZINC000186641978 387119805 /nfs/dbraw/zinc/11/98/05/387119805.db2.gz MGSSSWQYQNDSFN-MRXNPFEDSA-N 0 3 243.350 3.084 20 0 BGADHN CC(C)=CCN1CC[C@@]2(C1)OCc1ccccc12 ZINC000186641999 387120341 /nfs/dbraw/zinc/12/03/41/387120341.db2.gz MGSSSWQYQNDSFN-INIZCTEOSA-N 0 3 243.350 3.084 20 0 BGADHN Cc1ccc(CN(C(C)C)C2CC2)c(C)n1 ZINC000186667021 387120453 /nfs/dbraw/zinc/12/04/53/387120453.db2.gz SVOKSSBNAOVYTL-UHFFFAOYSA-N 0 3 218.344 3.071 20 0 BGADHN c1ccc(CCCCN2CCSCC2)cc1 ZINC000186675010 387118763 /nfs/dbraw/zinc/11/87/63/387118763.db2.gz PLNNIHUOUWBTOC-UHFFFAOYSA-N 0 3 235.396 3.058 20 0 BGADHN Cc1ccc(CN(C)CCC(C)C)c(C)n1 ZINC000186689081 538973837 /nfs/dbraw/zinc/97/38/37/538973837.db2.gz IQEYPUATYNNMEH-UHFFFAOYSA-N 0 3 220.360 3.176 20 0 BGADHN CSCCN1CCc2c(C)cc(C)cc2C1 ZINC000186700540 387122650 /nfs/dbraw/zinc/12/26/50/387122650.db2.gz XUGDNZVJDSCCQH-UHFFFAOYSA-N 0 3 235.396 3.025 20 0 BGADHN Cc1cc(C)c2c(c1)CN(CCOC(C)C)CC2 ZINC000186721309 384873376 /nfs/dbraw/zinc/87/33/76/384873376.db2.gz BNZNNVDESNFUSL-UHFFFAOYSA-N 0 3 247.382 3.087 20 0 BGADHN Cc1cc(C)c2c(c1)CN(CCCF)CC2 ZINC000186735238 387129502 /nfs/dbraw/zinc/12/95/02/387129502.db2.gz FFLDGAZAPALTMJ-UHFFFAOYSA-N 0 3 221.319 3.021 20 0 BGADHN CSCCCCCN[C@@H](C)c1ccccn1 ZINC000186774154 384880291 /nfs/dbraw/zinc/88/02/91/384880291.db2.gz QQXRPZXKLXJBQU-LBPRGKRZSA-N 0 3 238.400 3.266 20 0 BGADHN CSCCCCCN[C@H](C)c1ccccn1 ZINC000186774173 384878745 /nfs/dbraw/zinc/87/87/45/384878745.db2.gz QQXRPZXKLXJBQU-GFCCVEGCSA-N 0 3 238.400 3.266 20 0 BGADHN CSCCCCCN[C@@H](C)c1nccs1 ZINC000186774257 385793941 /nfs/dbraw/zinc/79/39/41/385793941.db2.gz FIELOKRORGWCPE-JTQLQIEISA-N 0 3 244.429 3.327 20 0 BGADHN CSCCCCCN[C@H](C)c1nccs1 ZINC000186774274 385793357 /nfs/dbraw/zinc/79/33/57/385793357.db2.gz FIELOKRORGWCPE-SNVBAGLBSA-N 0 3 244.429 3.327 20 0 BGADHN CSCCCCCN[C@@H](C)c1ccoc1 ZINC000186781278 346536837 /nfs/dbraw/zinc/53/68/37/346536837.db2.gz SCEVOTAGFMYARC-NSHDSACASA-N 0 3 227.373 3.464 20 0 BGADHN CSCCCCCN[C@H](C)c1ccoc1 ZINC000186781294 346537055 /nfs/dbraw/zinc/53/70/55/346537055.db2.gz SCEVOTAGFMYARC-LLVKDONJSA-N 0 3 227.373 3.464 20 0 BGADHN CC(C)c1ccc(CN(C)CC2(CO)CC2)cc1 ZINC000186783395 385790551 /nfs/dbraw/zinc/79/05/51/385790551.db2.gz QVYLTJKNTXJDOW-UHFFFAOYSA-N 0 3 247.382 3.014 20 0 BGADHN CSCCCCCN[C@@H](C)c1ccco1 ZINC000186784922 411296384 /nfs/dbraw/zinc/29/63/84/411296384.db2.gz ZZLXDGRQWLXZGE-NSHDSACASA-N 0 3 227.373 3.464 20 0 BGADHN CSCCCCCN[C@H](C)c1ccco1 ZINC000186784936 411295715 /nfs/dbraw/zinc/29/57/15/411295715.db2.gz ZZLXDGRQWLXZGE-LLVKDONJSA-N 0 3 227.373 3.464 20 0 BGADHN CCNC(C)(C)c1cccc(Cl)c1F ZINC000186889225 385809123 /nfs/dbraw/zinc/80/91/23/385809123.db2.gz XNHVFDYHJIMMSQ-UHFFFAOYSA-N 0 3 215.699 3.324 20 0 BGADHN CSCCN1CCC(c2ccsc2)CC1 ZINC000186910518 384894196 /nfs/dbraw/zinc/89/41/96/384894196.db2.gz SWYAJVWOANAGQD-UHFFFAOYSA-N 0 3 241.425 3.291 20 0 BGADHN C[C@H](N[C@@H]1C[C@H]2OCCC[C@H]12)c1ccccc1F ZINC000186920127 134440964 /nfs/dbraw/zinc/44/09/64/134440964.db2.gz UHOQEVKHQBPWMM-QMGNLALYSA-N 0 3 249.329 3.044 20 0 BGADHN CCCc1cccc(CN2CCCO[C@H](C)C2)c1 ZINC000186931932 388605098 /nfs/dbraw/zinc/60/50/98/388605098.db2.gz JQLOXRPALFCAMN-CQSZACIVSA-N 0 3 247.382 3.250 20 0 BGADHN CCCc1cccc(CN2CCCO[C@@H](C)C2)c1 ZINC000186931954 388604597 /nfs/dbraw/zinc/60/45/97/388604597.db2.gz JQLOXRPALFCAMN-AWEZNQCLSA-N 0 3 247.382 3.250 20 0 BGADHN FCCCN1CCC(c2ccsc2)CC1 ZINC000186951483 384897993 /nfs/dbraw/zinc/89/79/93/384897993.db2.gz DHBQZVPYPHPHNI-UHFFFAOYSA-N 0 3 227.348 3.287 20 0 BGADHN CCCN(Cc1ccc(C)nc1C)C1CC1 ZINC000186953730 347245769 /nfs/dbraw/zinc/24/57/69/347245769.db2.gz SLQPGUVXPQOQFU-UHFFFAOYSA-N 0 3 218.344 3.073 20 0 BGADHN Fc1ccccc1OCCN1CCCC2(CC2)C1 ZINC000186966898 387156152 /nfs/dbraw/zinc/15/61/52/387156152.db2.gz GAHHDGWBIMFZSP-UHFFFAOYSA-N 0 3 249.329 3.081 20 0 BGADHN Fc1ccc(OCCN2CCCC3(CC3)C2)cc1 ZINC000186980098 387160187 /nfs/dbraw/zinc/16/01/87/387160187.db2.gz NDUFRAIWFPKLSA-UHFFFAOYSA-N 0 3 249.329 3.081 20 0 BGADHN O=C(CCN1CCCC2(CC2)C1)c1ccccc1 ZINC000186982434 384902341 /nfs/dbraw/zinc/90/23/41/384902341.db2.gz SFFUSTUKNOCAIT-UHFFFAOYSA-N 0 3 243.350 3.135 20 0 BGADHN C[C@@H](c1ccccn1)N1CCCC2(CC2)C1 ZINC000186985547 176027650 /nfs/dbraw/zinc/02/76/50/176027650.db2.gz USZHFLIHRCUCLQ-LBPRGKRZSA-N 0 3 216.328 3.019 20 0 BGADHN C[C@H](c1ccccn1)N1CCCC2(CC2)C1 ZINC000186985566 177044312 /nfs/dbraw/zinc/04/43/12/177044312.db2.gz USZHFLIHRCUCLQ-GFCCVEGCSA-N 0 3 216.328 3.019 20 0 BGADHN Fc1cccc(OCCN2CCCC3(CC3)C2)c1 ZINC000187004664 387150201 /nfs/dbraw/zinc/15/02/01/387150201.db2.gz YRQUZDZZXCCGNY-UHFFFAOYSA-N 0 3 249.329 3.081 20 0 BGADHN Cc1ccc(CN2CCC[C@H]3CCC[C@@H]32)c(C)n1 ZINC000187083014 387170131 /nfs/dbraw/zinc/17/01/31/387170131.db2.gz XJXRNZCAHYMYRR-ZBFHGGJFSA-N 0 3 244.382 3.463 20 0 BGADHN Cc1ccc(CN2CCC[C@@H]3CCC[C@@H]32)c(C)n1 ZINC000187083032 387169167 /nfs/dbraw/zinc/16/91/67/387169167.db2.gz XJXRNZCAHYMYRR-HOCLYGCPSA-N 0 3 244.382 3.463 20 0 BGADHN CCCc1cccc(CNCc2cccnc2)c1 ZINC000187090255 169577714 /nfs/dbraw/zinc/57/77/14/169577714.db2.gz NPPOTWPXVGBFJI-UHFFFAOYSA-N 0 3 240.350 3.324 20 0 BGADHN COc1cnccc1[C@H](C)NCCC(C)(C)C ZINC000187100186 346553187 /nfs/dbraw/zinc/55/31/87/346553187.db2.gz XVJBWBKELXPJTK-NSHDSACASA-N 0 3 236.359 3.177 20 0 BGADHN COc1cnccc1[C@@H](C)NCCC(C)(C)C ZINC000187100202 346553408 /nfs/dbraw/zinc/55/34/08/346553408.db2.gz XVJBWBKELXPJTK-LLVKDONJSA-N 0 3 236.359 3.177 20 0 BGADHN CC1=CCC[C@@H](C)[C@H]1CNCc1nccs1 ZINC000187137793 168102001 /nfs/dbraw/zinc/10/20/01/168102001.db2.gz PVULEXITOIVODZ-NEPJUHHUSA-N 0 3 236.384 3.225 20 0 BGADHN CC1=CCC[C@H](C)[C@H]1CNCc1nccs1 ZINC000187137812 168105021 /nfs/dbraw/zinc/10/50/21/168105021.db2.gz PVULEXITOIVODZ-RYUDHWBXSA-N 0 3 236.384 3.225 20 0 BGADHN CC1=CCC[C@@H](C)[C@@H]1CNCc1nccs1 ZINC000187137830 168101305 /nfs/dbraw/zinc/10/13/05/168101305.db2.gz PVULEXITOIVODZ-VXGBXAGGSA-N 0 3 236.384 3.225 20 0 BGADHN CC1=CCC[C@H](C)[C@@H]1CNCc1nccs1 ZINC000187137846 168103055 /nfs/dbraw/zinc/10/30/55/168103055.db2.gz PVULEXITOIVODZ-NWDGAFQWSA-N 0 3 236.384 3.225 20 0 BGADHN Cc1ccc(CN(C)[C@@H](C)C2(C)CC2)c(C)n1 ZINC000187146235 387170575 /nfs/dbraw/zinc/17/05/75/387170575.db2.gz UYXGRYVDWURZFB-ZDUSSCGKSA-N 0 3 232.371 3.319 20 0 BGADHN Cc1ccc(CN(C)[C@H](C)C2(C)CC2)c(C)n1 ZINC000187146256 387169689 /nfs/dbraw/zinc/16/96/89/387169689.db2.gz UYXGRYVDWURZFB-CYBMUJFWSA-N 0 3 232.371 3.319 20 0 BGADHN Cc1ccc(CN2CCC3(CCC3)C2)c(C)n1 ZINC000187159004 387171812 /nfs/dbraw/zinc/17/18/12/387171812.db2.gz ZBNOWGASDDIZJP-UHFFFAOYSA-N 0 3 230.355 3.074 20 0 BGADHN C[C@H](CNCc1nccs1)Cc1ccccc1 ZINC000187233054 384924945 /nfs/dbraw/zinc/92/49/45/384924945.db2.gz QEVMBPPFJZHRIN-LBPRGKRZSA-N 0 3 246.379 3.112 20 0 BGADHN C[C@@H](CNCc1nccs1)Cc1ccccc1 ZINC000187233073 384925343 /nfs/dbraw/zinc/92/53/43/384925343.db2.gz QEVMBPPFJZHRIN-GFCCVEGCSA-N 0 3 246.379 3.112 20 0 BGADHN CCc1ccc([C@H](C)N[C@@H]2C[C@H]3OCCC[C@H]23)o1 ZINC000187286951 387187926 /nfs/dbraw/zinc/18/79/26/387187926.db2.gz LMHHRVHGWSJEPM-XTWPYSKKSA-N 0 3 249.354 3.060 20 0 BGADHN CCCc1cccc(CN[C@@H]2C[C@H]3CC[C@@H]2O3)c1 ZINC000187296725 384929767 /nfs/dbraw/zinc/92/97/67/384929767.db2.gz SRGZKAFTIAIHLM-OAGGEKHMSA-N 0 3 245.366 3.049 20 0 BGADHN CCCc1cccc(CNCCOC(C)C)c1 ZINC000187359741 259517113 /nfs/dbraw/zinc/51/71/13/259517113.db2.gz QVBGGZIJCHNISY-UHFFFAOYSA-N 0 3 235.371 3.154 20 0 BGADHN COC1(CNCc2ccsc2)CCCCC1 ZINC000187443513 188254182 /nfs/dbraw/zinc/25/41/82/188254182.db2.gz YUUSANXLRSABKW-UHFFFAOYSA-N 0 3 239.384 3.187 20 0 BGADHN COC1(CNCc2ccc(C)o2)CCCCC1 ZINC000187451498 386629598 /nfs/dbraw/zinc/62/95/98/386629598.db2.gz QQBIAXAEDVSGHW-UHFFFAOYSA-N 0 3 237.343 3.027 20 0 BGADHN c1ncc(CNC2(Cc3ccccc3)CC2)s1 ZINC000187491401 183390115 /nfs/dbraw/zinc/39/01/15/183390115.db2.gz RIJYKEDQTDNCTE-UHFFFAOYSA-N 0 3 244.363 3.008 20 0 BGADHN c1coc(CNC2(Cc3ccccc3)CC2)c1 ZINC000187491959 183390123 /nfs/dbraw/zinc/39/01/23/183390123.db2.gz UVNQOSZOSMBNDV-UHFFFAOYSA-N 0 3 227.307 3.145 20 0 BGADHN Cc1ccc(CNC2(Cc3ccccc3)CC2)o1 ZINC000187493918 134467748 /nfs/dbraw/zinc/46/77/48/134467748.db2.gz LSTAFVNMZFHMQR-UHFFFAOYSA-N 0 3 241.334 3.453 20 0 BGADHN CC(C)n1cc(CN2CCCC[C@@H](C)C2)cn1 ZINC000187517252 387203506 /nfs/dbraw/zinc/20/35/06/387203506.db2.gz UISJIGWCMQJHTK-CYBMUJFWSA-N 0 3 235.375 3.086 20 0 BGADHN CC(C)n1cc(CN2CCCC[C@H](C)C2)cn1 ZINC000187517274 387203444 /nfs/dbraw/zinc/20/34/44/387203444.db2.gz UISJIGWCMQJHTK-ZDUSSCGKSA-N 0 3 235.375 3.086 20 0 BGADHN CC(C)Cn1cc(CN2CCCC[C@@H](C)C2)cn1 ZINC000187518282 387202398 /nfs/dbraw/zinc/20/23/98/387202398.db2.gz VCWYQJUQEXOSBF-CQSZACIVSA-N 0 3 249.402 3.161 20 0 BGADHN CC(C)Cn1cc(CN2CCCC[C@H](C)C2)cn1 ZINC000187518303 387201722 /nfs/dbraw/zinc/20/17/22/387201722.db2.gz VCWYQJUQEXOSBF-AWEZNQCLSA-N 0 3 249.402 3.161 20 0 BGADHN COc1ccc(CN2CCCC[C@@H](C)C2)cc1O ZINC000187518387 387203404 /nfs/dbraw/zinc/20/34/04/387203404.db2.gz FHLZXJHEOIPIFW-GFCCVEGCSA-N 0 3 249.354 3.023 20 0 BGADHN COc1ccc(CN2CCCC[C@H](C)C2)cc1O ZINC000187518409 387202549 /nfs/dbraw/zinc/20/25/49/387202549.db2.gz FHLZXJHEOIPIFW-LBPRGKRZSA-N 0 3 249.354 3.023 20 0 BGADHN C[C@@H]1CCCCN(Cc2cnn(C(C)(C)C)c2)C1 ZINC000187518797 387203009 /nfs/dbraw/zinc/20/30/09/387203009.db2.gz KFOSLCLWMZIXEQ-CYBMUJFWSA-N 0 3 249.402 3.260 20 0 BGADHN C[C@H]1CCCCN(Cc2cnn(C(C)(C)C)c2)C1 ZINC000187518816 387202658 /nfs/dbraw/zinc/20/26/58/387202658.db2.gz KFOSLCLWMZIXEQ-ZDUSSCGKSA-N 0 3 249.402 3.260 20 0 BGADHN C[C@@H]1CCCC[N@@H+](Cc2cccc([O-])c2)C1 ZINC000187518864 387203073 /nfs/dbraw/zinc/20/30/73/387203073.db2.gz VCXOMRGYFCCMJK-GFCCVEGCSA-N 0 3 219.328 3.014 20 0 BGADHN C[C@@H]1CCCC[N@H+](Cc2cccc([O-])c2)C1 ZINC000187518864 387203067 /nfs/dbraw/zinc/20/30/67/387203067.db2.gz VCXOMRGYFCCMJK-GFCCVEGCSA-N 0 3 219.328 3.014 20 0 BGADHN C[C@H]1CCCC[N@@H+](Cc2cccc([O-])c2)C1 ZINC000187518887 387202130 /nfs/dbraw/zinc/20/21/30/387202130.db2.gz VCXOMRGYFCCMJK-LBPRGKRZSA-N 0 3 219.328 3.014 20 0 BGADHN C[C@H]1CCCC[N@H+](Cc2cccc([O-])c2)C1 ZINC000187518887 387202126 /nfs/dbraw/zinc/20/21/26/387202126.db2.gz VCXOMRGYFCCMJK-LBPRGKRZSA-N 0 3 219.328 3.014 20 0 BGADHN Cc1ccc(CN2CCCC3(CC3)C2)c(C)n1 ZINC000187567958 387206157 /nfs/dbraw/zinc/20/61/57/387206157.db2.gz MJGGPNAJJCXSOD-UHFFFAOYSA-N 0 3 230.355 3.074 20 0 BGADHN CCC(CC)NCc1nc2cc(C)ccc2n1C ZINC000187577510 168389685 /nfs/dbraw/zinc/38/96/85/168389685.db2.gz ZAZDKXKJFWBZKR-UHFFFAOYSA-N 0 3 245.370 3.160 20 0 BGADHN CC[C@@H]1[C@H](C)CCN1Cc1cnn(C(C)(C)C)c1 ZINC000187582169 387205981 /nfs/dbraw/zinc/20/59/81/387205981.db2.gz LEMQSQWTAPHHDC-TZMCWYRMSA-N 0 3 249.402 3.259 20 0 BGADHN CC[C@H]1[C@H](C)CCN1Cc1cnn(C(C)(C)C)c1 ZINC000187582189 387205947 /nfs/dbraw/zinc/20/59/47/387205947.db2.gz LEMQSQWTAPHHDC-OCCSQVGLSA-N 0 3 249.402 3.259 20 0 BGADHN CC[C@@H]1[C@@H](C)CCN1Cc1cnn(C(C)(C)C)c1 ZINC000187582215 387204932 /nfs/dbraw/zinc/20/49/32/387204932.db2.gz LEMQSQWTAPHHDC-GXTWGEPZSA-N 0 3 249.402 3.259 20 0 BGADHN CC[C@H]1[C@@H](C)CCN1Cc1cnn(C(C)(C)C)c1 ZINC000187582236 387206416 /nfs/dbraw/zinc/20/64/16/387206416.db2.gz LEMQSQWTAPHHDC-JSGCOSHPSA-N 0 3 249.402 3.259 20 0 BGADHN Fc1cc(Cl)ccc1CN[C@@H]1CCSC1 ZINC000187585831 386563185 /nfs/dbraw/zinc/56/31/85/386563185.db2.gz PKBXYZIQWCLHBU-SNVBAGLBSA-N 0 3 245.750 3.074 20 0 BGADHN Fc1cc(Cl)ccc1CN[C@H]1CCSC1 ZINC000187585852 386563945 /nfs/dbraw/zinc/56/39/45/386563945.db2.gz PKBXYZIQWCLHBU-JTQLQIEISA-N 0 3 245.750 3.074 20 0 BGADHN COc1ccc(F)cc1CN[C@@H](C)C1CCC1 ZINC000187588225 386570027 /nfs/dbraw/zinc/57/00/27/386570027.db2.gz WHNXHHGWDQVBTE-JTQLQIEISA-N 0 3 237.318 3.113 20 0 BGADHN COc1ccc(F)cc1CN[C@H](C)C1CCC1 ZINC000187588239 205808489 /nfs/dbraw/zinc/80/84/89/205808489.db2.gz WHNXHHGWDQVBTE-SNVBAGLBSA-N 0 3 237.318 3.113 20 0 BGADHN Cc1ccc2c(c1)nc(CNCC(C)(C)C)n2C ZINC000187589234 384960711 /nfs/dbraw/zinc/96/07/11/384960711.db2.gz HQQHBOINQIBEMU-UHFFFAOYSA-N 0 3 245.370 3.017 20 0 BGADHN COc1ccc(F)cc1CN[C@@H](C)C1(C)CC1 ZINC000187590759 387205967 /nfs/dbraw/zinc/20/59/67/387205967.db2.gz GDVTXLJPKHFYPM-JTQLQIEISA-N 0 3 237.318 3.113 20 0 BGADHN COc1ccc(F)cc1CN[C@H](C)C1(C)CC1 ZINC000187590780 387205889 /nfs/dbraw/zinc/20/58/89/387205889.db2.gz GDVTXLJPKHFYPM-SNVBAGLBSA-N 0 3 237.318 3.113 20 0 BGADHN COc1ccc(F)cc1CN[C@@H](C)CC1CC1 ZINC000187591078 386569189 /nfs/dbraw/zinc/56/91/89/386569189.db2.gz UIEQDVSCZSMFLS-JTQLQIEISA-N 0 3 237.318 3.113 20 0 BGADHN COc1ccc(F)cc1CN[C@H](C)CC1CC1 ZINC000187591098 386569879 /nfs/dbraw/zinc/56/98/79/386569879.db2.gz UIEQDVSCZSMFLS-SNVBAGLBSA-N 0 3 237.318 3.113 20 0 BGADHN COCC1=CCN(Cc2cccc(C)c2C)CC1 ZINC000187615147 174117976 /nfs/dbraw/zinc/11/79/76/174117976.db2.gz BWXDIHMIYAINFV-UHFFFAOYSA-N 0 3 245.366 3.082 20 0 BGADHN COCC1=CCN(Cc2ccc(C)cc2C)CC1 ZINC000187619417 174116126 /nfs/dbraw/zinc/11/61/26/174116126.db2.gz JMJGZHSIQXUDAI-UHFFFAOYSA-N 0 3 245.366 3.082 20 0 BGADHN Cc1nccnc1[C@@H](C)NCCC1=CCCCC1 ZINC000187670325 180280548 /nfs/dbraw/zinc/28/05/48/180280548.db2.gz KKQWNDWKAGAYIB-GFCCVEGCSA-N 0 3 245.370 3.326 20 0 BGADHN Cc1nccnc1[C@H](C)NCCC1=CCCCC1 ZINC000187670341 180281484 /nfs/dbraw/zinc/28/14/84/180281484.db2.gz KKQWNDWKAGAYIB-LBPRGKRZSA-N 0 3 245.370 3.326 20 0 BGADHN Cc1nccnc1[C@@H](C)N[C@@H]1CCCC[C@@H]1C ZINC000187673006 180282636 /nfs/dbraw/zinc/28/26/36/180282636.db2.gz VXCIJUHNSAWWTR-CYZMBNFOSA-N 0 3 233.359 3.014 20 0 BGADHN Cc1nccnc1[C@H](C)N[C@@H]1CCCC[C@@H]1C ZINC000187673029 180284156 /nfs/dbraw/zinc/28/41/56/180284156.db2.gz VXCIJUHNSAWWTR-WCFLWFBJSA-N 0 3 233.359 3.014 20 0 BGADHN Cc1nccnc1[C@@H](C)N[C@H]1CCCC[C@@H]1C ZINC000187673047 180281780 /nfs/dbraw/zinc/28/17/80/180281780.db2.gz VXCIJUHNSAWWTR-UHTWSYAYSA-N 0 3 233.359 3.014 20 0 BGADHN Cc1nccnc1[C@H](C)N[C@H]1CCCC[C@@H]1C ZINC000187673068 180283730 /nfs/dbraw/zinc/28/37/30/180283730.db2.gz VXCIJUHNSAWWTR-DRZSPHRISA-N 0 3 233.359 3.014 20 0 BGADHN c1cc(CN2Cc3ccccc3C3(CC3)C2)c[nH]1 ZINC000187677795 387222922 /nfs/dbraw/zinc/22/29/22/387222922.db2.gz CEFSOXBKTSELAF-UHFFFAOYSA-N 0 3 238.334 3.062 20 0 BGADHN CCCCC[C@@H](C)N[C@@H](C)c1nccnc1C ZINC000187678723 384972319 /nfs/dbraw/zinc/97/23/19/384972319.db2.gz PZLBPWBOOKHZTF-YPMHNXCESA-N 0 3 235.375 3.404 20 0 BGADHN CCCCC[C@H](C)N[C@@H](C)c1nccnc1C ZINC000187678741 168743532 /nfs/dbraw/zinc/74/35/32/168743532.db2.gz PZLBPWBOOKHZTF-AAEUAGOBSA-N 0 3 235.375 3.404 20 0 BGADHN CCCCC[C@@H](C)N[C@H](C)c1nccnc1C ZINC000187678761 384971683 /nfs/dbraw/zinc/97/16/83/384971683.db2.gz PZLBPWBOOKHZTF-DGCLKSJQSA-N 0 3 235.375 3.404 20 0 BGADHN CCCCC[C@H](C)N[C@H](C)c1nccnc1C ZINC000187678784 384973640 /nfs/dbraw/zinc/97/36/40/384973640.db2.gz PZLBPWBOOKHZTF-WCQYABFASA-N 0 3 235.375 3.404 20 0 BGADHN Cc1nccnc1[C@@H](C)NC1CCCCCC1 ZINC000187678957 180280256 /nfs/dbraw/zinc/28/02/56/180280256.db2.gz AECVDVYWFRFPMV-GFCCVEGCSA-N 0 3 233.359 3.158 20 0 BGADHN Cc1nccnc1[C@H](C)NC1CCCCCC1 ZINC000187678979 180281786 /nfs/dbraw/zinc/28/17/86/180281786.db2.gz AECVDVYWFRFPMV-LBPRGKRZSA-N 0 3 233.359 3.158 20 0 BGADHN Cc1nccnc1[C@@H](C)N[C@@H](C)CCC(C)C ZINC000187679538 180281743 /nfs/dbraw/zinc/28/17/43/180281743.db2.gz KTABCLOVXAKXJV-WCQYABFASA-N 0 3 235.375 3.260 20 0 BGADHN Cc1nccnc1[C@H](C)N[C@@H](C)CCC(C)C ZINC000187679558 180284423 /nfs/dbraw/zinc/28/44/23/180284423.db2.gz KTABCLOVXAKXJV-AAEUAGOBSA-N 0 3 235.375 3.260 20 0 BGADHN Cc1nccnc1[C@@H](C)N[C@H](C)CCC(C)C ZINC000187679577 180282163 /nfs/dbraw/zinc/28/21/63/180282163.db2.gz KTABCLOVXAKXJV-DGCLKSJQSA-N 0 3 235.375 3.260 20 0 BGADHN Cc1nccnc1[C@H](C)N[C@H](C)CCC(C)C ZINC000187679590 180283471 /nfs/dbraw/zinc/28/34/71/180283471.db2.gz KTABCLOVXAKXJV-YPMHNXCESA-N 0 3 235.375 3.260 20 0 BGADHN CCCCCCN[C@@H](C)c1nccnc1C ZINC000187680445 384971473 /nfs/dbraw/zinc/97/14/73/384971473.db2.gz WOZUESSRRKVREB-NSHDSACASA-N 0 3 221.348 3.016 20 0 BGADHN CCCCCCN[C@H](C)c1nccnc1C ZINC000187680459 384973368 /nfs/dbraw/zinc/97/33/68/384973368.db2.gz WOZUESSRRKVREB-LLVKDONJSA-N 0 3 221.348 3.016 20 0 BGADHN CCC[C@@H](C)N1CCN(c2cccs2)CC1 ZINC000187703174 322816962 /nfs/dbraw/zinc/81/69/62/322816962.db2.gz UWSOYAYMZDRZEW-GFCCVEGCSA-N 0 3 238.400 3.059 20 0 BGADHN CCC[C@H](C)N1CCN(c2cccs2)CC1 ZINC000187703186 322817044 /nfs/dbraw/zinc/81/70/44/322817044.db2.gz UWSOYAYMZDRZEW-LBPRGKRZSA-N 0 3 238.400 3.059 20 0 BGADHN Cc1nccnc1[C@@H](C)NCCCC1CCCC1 ZINC000187722386 180279742 /nfs/dbraw/zinc/27/97/42/180279742.db2.gz YINDYPJYDONTLS-GFCCVEGCSA-N 0 3 247.386 3.406 20 0 BGADHN Cc1nccnc1[C@H](C)NCCCC1CCCC1 ZINC000187722409 180281939 /nfs/dbraw/zinc/28/19/39/180281939.db2.gz YINDYPJYDONTLS-LBPRGKRZSA-N 0 3 247.386 3.406 20 0 BGADHN Cc1nccnc1[C@@H](C)NCCC1CCCC1 ZINC000187723113 386585066 /nfs/dbraw/zinc/58/50/66/386585066.db2.gz GHBDRASAGPGIPA-LLVKDONJSA-N 0 3 233.359 3.016 20 0 BGADHN Cc1nccnc1[C@H](C)NCCC1CCCC1 ZINC000187723136 386583426 /nfs/dbraw/zinc/58/34/26/386583426.db2.gz GHBDRASAGPGIPA-NSHDSACASA-N 0 3 233.359 3.016 20 0 BGADHN CC[C@@H](C)N1CCO[C@H](CCc2ccccc2)C1 ZINC000187724366 386583445 /nfs/dbraw/zinc/58/34/45/386583445.db2.gz KOIDKZXTNDPLHX-GDBMZVCRSA-N 0 3 247.382 3.119 20 0 BGADHN CC[C@H](C)N1CCO[C@H](CCc2ccccc2)C1 ZINC000187724385 386582667 /nfs/dbraw/zinc/58/26/67/386582667.db2.gz KOIDKZXTNDPLHX-GOEBONIOSA-N 0 3 247.382 3.119 20 0 BGADHN Fc1ccccc1C1=CCN(C2CCC2)CC1 ZINC000187726548 347263783 /nfs/dbraw/zinc/26/37/83/347263783.db2.gz LQYMEAPQFIXUQX-UHFFFAOYSA-N 0 3 231.314 3.467 20 0 BGADHN Fc1cccc(F)c1[C@@H]1CCN(C2CCC2)C1 ZINC000187727681 387231761 /nfs/dbraw/zinc/23/17/61/387231761.db2.gz OXDUHMRZNBTUHY-SNVBAGLBSA-N 0 3 237.293 3.307 20 0 BGADHN Fc1cccc(F)c1[C@H]1CCN(C2CCC2)C1 ZINC000187727698 387231800 /nfs/dbraw/zinc/23/18/00/387231800.db2.gz OXDUHMRZNBTUHY-JTQLQIEISA-N 0 3 237.293 3.307 20 0 BGADHN CCC[C@H](NCCn1cccn1)c1ccsc1 ZINC000187769766 386593123 /nfs/dbraw/zinc/59/31/23/386593123.db2.gz HEBLJFVSHPTOTK-ZDUSSCGKSA-N 0 3 249.383 3.076 20 0 BGADHN CCC[C@@H](NCCn1cccn1)c1ccsc1 ZINC000187769786 205817129 /nfs/dbraw/zinc/81/71/29/205817129.db2.gz HEBLJFVSHPTOTK-CYBMUJFWSA-N 0 3 249.383 3.076 20 0 BGADHN CCC1CCC(N[C@@H](C)c2nccnc2C)CC1 ZINC000187799252 384984685 /nfs/dbraw/zinc/98/46/85/384984685.db2.gz DENHMUDPMJBBKE-HSBZDZAISA-N 0 3 247.386 3.404 20 0 BGADHN CCC1CCC(N[C@H](C)c2nccnc2C)CC1 ZINC000187799277 384985234 /nfs/dbraw/zinc/98/52/34/384985234.db2.gz DENHMUDPMJBBKE-IYXRBSQSSA-N 0 3 247.386 3.404 20 0 BGADHN CC(C)c1ccc2c(c1)[C@H](N[C@@H]1CCOC1)CC2 ZINC000187803813 384984118 /nfs/dbraw/zinc/98/41/18/384984118.db2.gz CDHKDTSSUUONKE-GDBMZVCRSA-N 0 3 245.366 3.176 20 0 BGADHN CC(C)c1ccc2c(c1)[C@@H](N[C@@H]1CCOC1)CC2 ZINC000187803828 384982758 /nfs/dbraw/zinc/98/27/58/384982758.db2.gz CDHKDTSSUUONKE-ZBFHGGJFSA-N 0 3 245.366 3.176 20 0 BGADHN CC(C)c1ccc2c(c1)[C@H](N[C@H]1CCOC1)CC2 ZINC000187803842 384983083 /nfs/dbraw/zinc/98/30/83/384983083.db2.gz CDHKDTSSUUONKE-GOEBONIOSA-N 0 3 245.366 3.176 20 0 BGADHN CC(C)c1ccc2c(c1)[C@@H](N[C@H]1CCOC1)CC2 ZINC000187803863 384982903 /nfs/dbraw/zinc/98/29/03/384982903.db2.gz CDHKDTSSUUONKE-HOCLYGCPSA-N 0 3 245.366 3.176 20 0 BGADHN Cc1ccccc1[C@@H](C)N(C)C[C@@H]1CCCO1 ZINC000187804356 387213140 /nfs/dbraw/zinc/21/31/40/387213140.db2.gz VHMDFYYDHWGZPH-KGLIPLIRSA-N 0 3 233.355 3.167 20 0 BGADHN Cc1ccccc1[C@H](C)N(C)C[C@@H]1CCCO1 ZINC000187804376 387211579 /nfs/dbraw/zinc/21/15/79/387211579.db2.gz VHMDFYYDHWGZPH-KBPBESRZSA-N 0 3 233.355 3.167 20 0 BGADHN Cc1cccc2nc(CNCCC(C)(C)C)cn21 ZINC000187825913 386601431 /nfs/dbraw/zinc/60/14/31/386601431.db2.gz LOSPHBKSCBIAAW-UHFFFAOYSA-N 0 3 245.370 3.169 20 0 BGADHN Cc1nccnc1[C@@H](C)NC[C@@H]1CCC[C@H](C)C1 ZINC000187827249 180281917 /nfs/dbraw/zinc/28/19/17/180281917.db2.gz DHLWEAPGMNRQSR-IACUBPJLSA-N 0 3 247.386 3.262 20 0 BGADHN Cc1nccnc1[C@H](C)NC[C@@H]1CCC[C@H](C)C1 ZINC000187827276 180283600 /nfs/dbraw/zinc/28/36/00/180283600.db2.gz DHLWEAPGMNRQSR-FPMFFAJLSA-N 0 3 247.386 3.262 20 0 BGADHN Cc1nccnc1[C@@H](C)NC[C@H]1CCC[C@H](C)C1 ZINC000187827302 180282424 /nfs/dbraw/zinc/28/24/24/180282424.db2.gz DHLWEAPGMNRQSR-YUTCNCBUSA-N 0 3 247.386 3.262 20 0 BGADHN Cc1nccnc1[C@H](C)NC[C@H]1CCC[C@H](C)C1 ZINC000187827330 180283250 /nfs/dbraw/zinc/28/32/50/180283250.db2.gz DHLWEAPGMNRQSR-UBHSHLNASA-N 0 3 247.386 3.262 20 0 BGADHN Cc1nccnc1[C@@H](C)NCC1CCC(C)CC1 ZINC000187827619 180279776 /nfs/dbraw/zinc/27/97/76/180279776.db2.gz ZJPWPYBEKUZZBR-HRDQMINSSA-N 0 3 247.386 3.262 20 0 BGADHN Cc1nccnc1[C@H](C)NCC1CCC(C)CC1 ZINC000187827647 180281935 /nfs/dbraw/zinc/28/19/35/180281935.db2.gz ZJPWPYBEKUZZBR-QRMWWUJWSA-N 0 3 247.386 3.262 20 0 BGADHN Cc1nccnc1[C@@H](C)N[C@@H]1CCC[C@H](C)C1 ZINC000187845140 180282311 /nfs/dbraw/zinc/28/23/11/180282311.db2.gz CIBQQCOJJXZDOO-CYZMBNFOSA-N 0 3 233.359 3.014 20 0 BGADHN Cc1nccnc1[C@H](C)N[C@@H]1CCC[C@H](C)C1 ZINC000187845167 180283176 /nfs/dbraw/zinc/28/31/76/180283176.db2.gz CIBQQCOJJXZDOO-WCFLWFBJSA-N 0 3 233.359 3.014 20 0 BGADHN Cc1nccnc1[C@@H](C)N[C@H]1CCC[C@H](C)C1 ZINC000187845194 180282379 /nfs/dbraw/zinc/28/23/79/180282379.db2.gz CIBQQCOJJXZDOO-UHTWSYAYSA-N 0 3 233.359 3.014 20 0 BGADHN Cc1nccnc1[C@H](C)N[C@H]1CCC[C@H](C)C1 ZINC000187845222 180284364 /nfs/dbraw/zinc/28/43/64/180284364.db2.gz CIBQQCOJJXZDOO-DRZSPHRISA-N 0 3 233.359 3.014 20 0 BGADHN Cc1nccnc1[C@H](C)NC[C@@H]1CCCC[C@@H]1C ZINC000187849751 386605821 /nfs/dbraw/zinc/60/58/21/386605821.db2.gz WFYOZTGBJYPDQX-UBHSHLNASA-N 0 3 247.386 3.262 20 0 BGADHN Cc1nccnc1[C@H](C)NC[C@H]1CCCC[C@@H]1C ZINC000187849807 386605948 /nfs/dbraw/zinc/60/59/48/386605948.db2.gz WFYOZTGBJYPDQX-FPMFFAJLSA-N 0 3 247.386 3.262 20 0 BGADHN C[C@@H]1CCCCN(Cc2cccnc2Cl)C1 ZINC000187909414 641733126 /nfs/dbraw/zinc/73/31/26/641733126.db2.gz CZWMFLSQQKXMKJ-LLVKDONJSA-N 0 3 238.762 3.357 20 0 BGADHN C[C@H]1CCCCN(Cc2cccnc2Cl)C1 ZINC000187909436 641733480 /nfs/dbraw/zinc/73/34/80/641733480.db2.gz CZWMFLSQQKXMKJ-NSHDSACASA-N 0 3 238.762 3.357 20 0 BGADHN C[C@@H]1CCCCN(Cc2ccnc(Cl)c2)C1 ZINC000187920666 641734396 /nfs/dbraw/zinc/73/43/96/641734396.db2.gz KOJWJLWRUXKKJM-LLVKDONJSA-N 0 3 238.762 3.357 20 0 BGADHN C[C@H]1CCCCN(Cc2ccnc(Cl)c2)C1 ZINC000187920695 641733868 /nfs/dbraw/zinc/73/38/68/641733868.db2.gz KOJWJLWRUXKKJM-NSHDSACASA-N 0 3 238.762 3.357 20 0 BGADHN C[C@@H]1CCCCN(Cc2nc3ccccc3o2)C1 ZINC000187940982 387221524 /nfs/dbraw/zinc/22/15/24/387221524.db2.gz CVJGTDFTVRQMQU-GFCCVEGCSA-N 0 3 244.338 3.450 20 0 BGADHN C[C@H]1CCCCN(Cc2nc3ccccc3o2)C1 ZINC000187941015 387220132 /nfs/dbraw/zinc/22/01/32/387220132.db2.gz CVJGTDFTVRQMQU-LBPRGKRZSA-N 0 3 244.338 3.450 20 0 BGADHN C[C@@H]1CCCCN(Cc2cccc(Cl)n2)C1 ZINC000187945331 641735908 /nfs/dbraw/zinc/73/59/08/641735908.db2.gz KBUDNBVIVLDVLS-LLVKDONJSA-N 0 3 238.762 3.357 20 0 BGADHN C[C@H]1CCCCN(Cc2cccc(Cl)n2)C1 ZINC000187945360 641735497 /nfs/dbraw/zinc/73/54/97/641735497.db2.gz KBUDNBVIVLDVLS-NSHDSACASA-N 0 3 238.762 3.357 20 0 BGADHN Cc1csc(CN2CCCC[C@H](C)C2)n1 ZINC000187945616 384999040 /nfs/dbraw/zinc/99/90/40/384999040.db2.gz VDZGWDGBLZNYCL-JTQLQIEISA-N 0 3 224.373 3.074 20 0 BGADHN Cc1csc(CN2CCCC[C@@H](C)C2)n1 ZINC000187945638 384999772 /nfs/dbraw/zinc/99/97/72/384999772.db2.gz VDZGWDGBLZNYCL-SNVBAGLBSA-N 0 3 224.373 3.074 20 0 BGADHN C[C@@H]1CCCCN(Cc2nc3ccccc3[nH]2)C1 ZINC000187952397 387220605 /nfs/dbraw/zinc/22/06/05/387220605.db2.gz SONOVNMVMIBXSR-GFCCVEGCSA-N 0 3 243.354 3.185 20 0 BGADHN C[C@H]1CCCCN(Cc2nc3ccccc3[nH]2)C1 ZINC000187952425 387219899 /nfs/dbraw/zinc/21/98/99/387219899.db2.gz SONOVNMVMIBXSR-LBPRGKRZSA-N 0 3 243.354 3.185 20 0 BGADHN Cc1cnc(CN2CCCC[C@H](C)C2)s1 ZINC000187973197 385001369 /nfs/dbraw/zinc/00/13/69/385001369.db2.gz CKZCVWWOZXDOPV-JTQLQIEISA-N 0 3 224.373 3.074 20 0 BGADHN Cc1cnc(CN2CCCC[C@@H](C)C2)s1 ZINC000187973223 385001780 /nfs/dbraw/zinc/00/17/80/385001780.db2.gz CKZCVWWOZXDOPV-SNVBAGLBSA-N 0 3 224.373 3.074 20 0 BGADHN Cc1ncc(CN2CCCC[C@H](C)C2)s1 ZINC000187977907 180143633 /nfs/dbraw/zinc/14/36/33/180143633.db2.gz QURWPAOJGHLRAO-JTQLQIEISA-N 0 3 224.373 3.074 20 0 BGADHN Cc1ncc(CN2CCCC[C@@H](C)C2)s1 ZINC000187977931 180143796 /nfs/dbraw/zinc/14/37/96/180143796.db2.gz QURWPAOJGHLRAO-SNVBAGLBSA-N 0 3 224.373 3.074 20 0 BGADHN C[C@@H]1CCCCN(Cc2ccncc2Cl)C1 ZINC000187978788 387251727 /nfs/dbraw/zinc/25/17/27/387251727.db2.gz QVZIPFBMUURWAK-LLVKDONJSA-N 0 3 238.762 3.357 20 0 BGADHN C[C@H]1CCCCN(Cc2ccncc2Cl)C1 ZINC000187978812 387252381 /nfs/dbraw/zinc/25/23/81/387252381.db2.gz QVZIPFBMUURWAK-NSHDSACASA-N 0 3 238.762 3.357 20 0 BGADHN CC(C)n1ccnc1CN1CCCC[C@@H](C)C1 ZINC000187979096 346664783 /nfs/dbraw/zinc/66/47/83/346664783.db2.gz DIXIAJPYPDAPRM-CYBMUJFWSA-N 0 3 235.375 3.086 20 0 BGADHN CC(C)n1ccnc1CN1CCCC[C@H](C)C1 ZINC000187979119 346664643 /nfs/dbraw/zinc/66/46/43/346664643.db2.gz DIXIAJPYPDAPRM-ZDUSSCGKSA-N 0 3 235.375 3.086 20 0 BGADHN Cc1nc(CN2CCCC[C@H](C)C2)sc1C ZINC000187979289 387253022 /nfs/dbraw/zinc/25/30/22/387253022.db2.gz PBEVSGOHQQJLLH-JTQLQIEISA-N 0 3 238.400 3.382 20 0 BGADHN Cc1nc(CN2CCCC[C@@H](C)C2)sc1C ZINC000187979310 387251843 /nfs/dbraw/zinc/25/18/43/387251843.db2.gz PBEVSGOHQQJLLH-SNVBAGLBSA-N 0 3 238.400 3.382 20 0 BGADHN C[C@@H]1CCCCN(Cc2ccc(Cl)nc2)C1 ZINC000187987557 631516371 /nfs/dbraw/zinc/51/63/71/631516371.db2.gz NDYXVQZHGUHFAX-LLVKDONJSA-N 0 3 238.762 3.357 20 0 BGADHN C[C@H]1CCCCN(Cc2ccc(Cl)nc2)C1 ZINC000187987584 641738149 /nfs/dbraw/zinc/73/81/49/641738149.db2.gz NDYXVQZHGUHFAX-NSHDSACASA-N 0 3 238.762 3.357 20 0 BGADHN C[C@@H]1CCCCN(Cc2noc3c2CCCC3)C1 ZINC000187988464 538977066 /nfs/dbraw/zinc/97/70/66/538977066.db2.gz DFKOEAPNNGKERC-GFCCVEGCSA-N 0 3 248.370 3.175 20 0 BGADHN C[C@H]1CCCCN(Cc2noc3c2CCCC3)C1 ZINC000187988490 538977404 /nfs/dbraw/zinc/97/74/04/538977404.db2.gz DFKOEAPNNGKERC-LBPRGKRZSA-N 0 3 248.370 3.175 20 0 BGADHN Cc1nccnc1[C@@H](C)N[C@@H]1CC[C@H](C)C[C@@H]1C ZINC000188007195 180282246 /nfs/dbraw/zinc/28/22/46/180282246.db2.gz VTQGUDOBFRZLAN-CDGCEXEKSA-N 0 3 247.386 3.260 20 0 BGADHN Cc1nccnc1[C@H](C)N[C@@H]1CC[C@H](C)C[C@@H]1C ZINC000188007223 180283270 /nfs/dbraw/zinc/28/32/70/180283270.db2.gz VTQGUDOBFRZLAN-AUZPSNTRSA-N 0 3 247.386 3.260 20 0 BGADHN Cc1nccnc1[C@@H](C)N[C@H]1CC[C@H](C)C[C@@H]1C ZINC000188007247 180282719 /nfs/dbraw/zinc/28/27/19/180282719.db2.gz VTQGUDOBFRZLAN-VTPLQMEGSA-N 0 3 247.386 3.260 20 0 BGADHN Cc1nccnc1[C@H](C)N[C@H]1CC[C@H](C)C[C@@H]1C ZINC000188007276 180282990 /nfs/dbraw/zinc/28/29/90/180282990.db2.gz VTQGUDOBFRZLAN-IMIFBBOLSA-N 0 3 247.386 3.260 20 0 BGADHN Cc1nccnc1[C@@H](C)N[C@@H](C)C1CCCC1 ZINC000188013062 180281373 /nfs/dbraw/zinc/28/13/73/180281373.db2.gz HCEXWIWAHYZOGA-CMPLNLGQSA-N 0 3 233.359 3.014 20 0 BGADHN Cc1nccnc1[C@H](C)N[C@@H](C)C1CCCC1 ZINC000188013090 180283200 /nfs/dbraw/zinc/28/32/00/180283200.db2.gz HCEXWIWAHYZOGA-JQWIXIFHSA-N 0 3 233.359 3.014 20 0 BGADHN Cc1nccnc1[C@@H](C)N[C@H](C)C1CCCC1 ZINC000188013120 180281896 /nfs/dbraw/zinc/28/18/96/180281896.db2.gz HCEXWIWAHYZOGA-ZYHUDNBSSA-N 0 3 233.359 3.014 20 0 BGADHN Cc1nccnc1[C@H](C)N[C@H](C)C1CCCC1 ZINC000188013145 180283580 /nfs/dbraw/zinc/28/35/80/180283580.db2.gz HCEXWIWAHYZOGA-PWSUYJOCSA-N 0 3 233.359 3.014 20 0 BGADHN CC(C)(C)CC[NH2+]Cc1ccc([O-])c(F)c1 ZINC000188019487 642342093 /nfs/dbraw/zinc/34/20/93/642342093.db2.gz WGPZIKLOAOQAHL-UHFFFAOYSA-N 0 3 225.307 3.057 20 0 BGADHN C[C@H](N[C@H]1CCC[C@@H](C)CC1)c1nccn1C ZINC000188022601 386024217 /nfs/dbraw/zinc/02/42/17/386024217.db2.gz PJRJSVBADHLEIF-AGIUHOORSA-N 0 3 235.375 3.040 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@@H](C)CC1)c1nccn1C ZINC000188022654 386023639 /nfs/dbraw/zinc/02/36/39/386023639.db2.gz PJRJSVBADHLEIF-FRRDWIJNSA-N 0 3 235.375 3.040 20 0 BGADHN C[C@H](N[C@H]1CCC[C@@H](C)CC1)c1cnccn1 ZINC000188024677 387244601 /nfs/dbraw/zinc/24/46/01/387244601.db2.gz AINIEEQHJZTQAM-AGIUHOORSA-N 0 3 233.359 3.096 20 0 BGADHN C[C@H](N[C@H]1CCC[C@H](C)CC1)c1cnccn1 ZINC000188024702 177137231 /nfs/dbraw/zinc/13/72/31/177137231.db2.gz AINIEEQHJZTQAM-AVGNSLFASA-N 0 3 233.359 3.096 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@@H](C)CC1)c1cnccn1 ZINC000188024726 387245862 /nfs/dbraw/zinc/24/58/62/387245862.db2.gz AINIEEQHJZTQAM-FRRDWIJNSA-N 0 3 233.359 3.096 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@H](C)CC1)c1cnccn1 ZINC000188024754 188171605 /nfs/dbraw/zinc/17/16/05/188171605.db2.gz AINIEEQHJZTQAM-RWMBFGLXSA-N 0 3 233.359 3.096 20 0 BGADHN C[C@H](N[C@H]1CCOc2c(F)cccc21)C1CC1 ZINC000188043800 385006595 /nfs/dbraw/zinc/00/65/95/385006595.db2.gz UTBGNZIJKKZXQZ-ZANVPECISA-N 0 3 235.302 3.037 20 0 BGADHN C[C@@H](N[C@H]1CCOc2c(F)cccc21)C1CC1 ZINC000188043823 385007547 /nfs/dbraw/zinc/00/75/47/385007547.db2.gz UTBGNZIJKKZXQZ-RNCFNFMXSA-N 0 3 235.302 3.037 20 0 BGADHN CCC[C@@H](C)N[C@H]1CCOc2c(F)cccc21 ZINC000188046647 323169650 /nfs/dbraw/zinc/16/96/50/323169650.db2.gz VTUWCZPLIUOSMU-MFKMUULPSA-N 0 3 237.318 3.428 20 0 BGADHN CCC[C@H](C)N[C@H]1CCOc2c(F)cccc21 ZINC000188046670 323169653 /nfs/dbraw/zinc/16/96/53/323169653.db2.gz VTUWCZPLIUOSMU-GWCFXTLKSA-N 0 3 237.318 3.428 20 0 BGADHN Cc1nccnc1[C@@H](C)NC1C[C@H](C)C[C@H](C)C1 ZINC000188050804 180279347 /nfs/dbraw/zinc/27/93/47/180279347.db2.gz ZTIZQVQJJXSDIS-QZGMINCNSA-N 0 3 247.386 3.260 20 0 BGADHN Cc1nccnc1[C@H](C)NC1C[C@H](C)C[C@H](C)C1 ZINC000188050832 180282814 /nfs/dbraw/zinc/28/28/14/180282814.db2.gz ZTIZQVQJJXSDIS-KVCLCRKTSA-N 0 3 247.386 3.260 20 0 BGADHN Cc1nccnc1[C@@H](C)NC1C[C@@H](C)C[C@H](C)C1 ZINC000188050854 180280694 /nfs/dbraw/zinc/28/06/94/180280694.db2.gz ZTIZQVQJJXSDIS-GMXVVIOVSA-N 0 3 247.386 3.260 20 0 BGADHN Cc1nccnc1[C@H](C)NC1C[C@@H](C)C[C@H](C)C1 ZINC000188050881 180281838 /nfs/dbraw/zinc/28/18/38/180281838.db2.gz ZTIZQVQJJXSDIS-GVXVVHGQSA-N 0 3 247.386 3.260 20 0 BGADHN CC1CC(N[C@H]2CCOc3c(F)cccc32)C1 ZINC000188055437 323169724 /nfs/dbraw/zinc/16/97/24/323169724.db2.gz OKANNCAYCFZMBZ-ZPPKWKGLSA-N 0 3 235.302 3.037 20 0 BGADHN CC[C@@H]1CCC[C@H](N[C@@H](C)c2nccnc2C)C1 ZINC000188057585 347271481 /nfs/dbraw/zinc/27/14/81/347271481.db2.gz BYJSJSNKIYLZAN-MJBXVCDLSA-N 0 3 247.386 3.404 20 0 BGADHN CC[C@H]1CCC[C@H](N[C@@H](C)c2nccnc2C)C1 ZINC000188057605 386157630 /nfs/dbraw/zinc/15/76/30/386157630.db2.gz BYJSJSNKIYLZAN-IHRRRGAJSA-N 0 3 247.386 3.404 20 0 BGADHN CC[C@@H]1CCC[C@@H](N[C@@H](C)c2nccnc2C)C1 ZINC000188057631 385008048 /nfs/dbraw/zinc/00/80/48/385008048.db2.gz BYJSJSNKIYLZAN-BFHYXJOUSA-N 0 3 247.386 3.404 20 0 BGADHN CC[C@H]1CCC[C@@H](N[C@@H](C)c2nccnc2C)C1 ZINC000188057656 386156452 /nfs/dbraw/zinc/15/64/52/386156452.db2.gz BYJSJSNKIYLZAN-MELADBBJSA-N 0 3 247.386 3.404 20 0 BGADHN C[C@H](N[C@H]1CCOc2c(F)cccc21)C1(C)CC1 ZINC000188058255 386156933 /nfs/dbraw/zinc/15/69/33/386156933.db2.gz QHNZVLCGTTVTFX-GWCFXTLKSA-N 0 3 249.329 3.428 20 0 BGADHN C[C@@H](N[C@H]1CCOc2c(F)cccc21)C1(C)CC1 ZINC000188058281 386156374 /nfs/dbraw/zinc/15/63/74/386156374.db2.gz QHNZVLCGTTVTFX-MFKMUULPSA-N 0 3 249.329 3.428 20 0 BGADHN C[C@@H](N[C@@H]1CCO[C@@H]1C)c1cc2ccccc2o1 ZINC000188067432 386175862 /nfs/dbraw/zinc/17/58/62/386175862.db2.gz VBOPVSVPWWWMBQ-NQBHXWOUSA-N 0 3 245.322 3.261 20 0 BGADHN C[C@@H](N[C@@H]1CCO[C@H]1C)c1cc2ccccc2o1 ZINC000188067458 385010699 /nfs/dbraw/zinc/01/06/99/385010699.db2.gz VBOPVSVPWWWMBQ-NTZNESFSSA-N 0 3 245.322 3.261 20 0 BGADHN C[C@@H](N[C@H]1CCO[C@@H]1C)c1cc2ccccc2o1 ZINC000188067481 386175982 /nfs/dbraw/zinc/17/59/82/386175982.db2.gz VBOPVSVPWWWMBQ-WZRBSPASSA-N 0 3 245.322 3.261 20 0 BGADHN C[C@@H](N[C@H]1CCO[C@H]1C)c1cc2ccccc2o1 ZINC000188067508 385010712 /nfs/dbraw/zinc/01/07/12/385010712.db2.gz VBOPVSVPWWWMBQ-MDZLAQPJSA-N 0 3 245.322 3.261 20 0 BGADHN Cc1nccnc1[C@@H](C)N[C@@H](C)C1CCCCC1 ZINC000188067874 386175277 /nfs/dbraw/zinc/17/52/77/386175277.db2.gz QSUFQROYCHZSFI-WCQYABFASA-N 0 3 247.386 3.404 20 0 BGADHN Cc1nccnc1[C@H](C)N[C@@H](C)C1CCCCC1 ZINC000188067895 386175339 /nfs/dbraw/zinc/17/53/39/386175339.db2.gz QSUFQROYCHZSFI-AAEUAGOBSA-N 0 3 247.386 3.404 20 0 BGADHN Cc1nccnc1[C@@H](C)N[C@H](C)C1CCCCC1 ZINC000188067921 386176026 /nfs/dbraw/zinc/17/60/26/386176026.db2.gz QSUFQROYCHZSFI-DGCLKSJQSA-N 0 3 247.386 3.404 20 0 BGADHN Cc1nccnc1[C@H](C)N[C@H](C)C1CCCCC1 ZINC000188067952 386175827 /nfs/dbraw/zinc/17/58/27/386175827.db2.gz QSUFQROYCHZSFI-YPMHNXCESA-N 0 3 247.386 3.404 20 0 BGADHN Cc1nccnc1[C@@H](C)NC1CCC(C)(C)CC1 ZINC000188068396 180280266 /nfs/dbraw/zinc/28/02/66/180280266.db2.gz KXULCXBXZSECMM-GFCCVEGCSA-N 0 3 247.386 3.404 20 0 BGADHN Cc1nccnc1[C@H](C)NC1CCC(C)(C)CC1 ZINC000188068424 180281587 /nfs/dbraw/zinc/28/15/87/180281587.db2.gz KXULCXBXZSECMM-LBPRGKRZSA-N 0 3 247.386 3.404 20 0 BGADHN Cc1nccnc1[C@@H](C)N[C@@H]1CCCC1(C)C ZINC000188116199 180281185 /nfs/dbraw/zinc/28/11/85/180281185.db2.gz MGZJKZXZPAFXRU-VXGBXAGGSA-N 0 3 233.359 3.014 20 0 BGADHN Cc1nccnc1[C@H](C)N[C@@H]1CCCC1(C)C ZINC000188116226 180283983 /nfs/dbraw/zinc/28/39/83/180283983.db2.gz MGZJKZXZPAFXRU-NWDGAFQWSA-N 0 3 233.359 3.014 20 0 BGADHN Cc1nccnc1[C@@H](C)N[C@H]1CCCC1(C)C ZINC000188116252 180282447 /nfs/dbraw/zinc/28/24/47/180282447.db2.gz MGZJKZXZPAFXRU-NEPJUHHUSA-N 0 3 233.359 3.014 20 0 BGADHN Cc1nccnc1[C@H](C)N[C@H]1CCCC1(C)C ZINC000188116277 180283347 /nfs/dbraw/zinc/28/33/47/180283347.db2.gz MGZJKZXZPAFXRU-RYUDHWBXSA-N 0 3 233.359 3.014 20 0 BGADHN Cc1nccnc1[C@@H](C)N[C@@H]1CCCCC1(C)C ZINC000188141985 180282493 /nfs/dbraw/zinc/28/24/93/180282493.db2.gz VOLVJEUIWQPNQT-CHWSQXEVSA-N 0 3 247.386 3.404 20 0 BGADHN Cc1nccnc1[C@H](C)N[C@@H]1CCCCC1(C)C ZINC000188142014 180283415 /nfs/dbraw/zinc/28/34/15/180283415.db2.gz VOLVJEUIWQPNQT-QWHCGFSZSA-N 0 3 247.386 3.404 20 0 BGADHN Cc1nccnc1[C@@H](C)N[C@H]1CCCCC1(C)C ZINC000188142033 180282764 /nfs/dbraw/zinc/28/27/64/180282764.db2.gz VOLVJEUIWQPNQT-OLZOCXBDSA-N 0 3 247.386 3.404 20 0 BGADHN Cc1nccnc1[C@H](C)N[C@H]1CCCCC1(C)C ZINC000188142056 180283404 /nfs/dbraw/zinc/28/34/04/180283404.db2.gz VOLVJEUIWQPNQT-STQMWFEESA-N 0 3 247.386 3.404 20 0 BGADHN CCc1noc(CC)c1CNCCC(C)(C)C ZINC000188148118 386262089 /nfs/dbraw/zinc/26/20/89/386262089.db2.gz ZRNQEDQWXQHNQL-UHFFFAOYSA-N 0 3 238.375 3.325 20 0 BGADHN CCC1(CN[C@@H](C)c2nccnc2C)CCCC1 ZINC000188150143 387254708 /nfs/dbraw/zinc/25/47/08/387254708.db2.gz VGEVJALUFYAKMJ-ZDUSSCGKSA-N 0 3 247.386 3.406 20 0 BGADHN CCC1(CN[C@H](C)c2nccnc2C)CCCC1 ZINC000188150171 387254469 /nfs/dbraw/zinc/25/44/69/387254469.db2.gz VGEVJALUFYAKMJ-CYBMUJFWSA-N 0 3 247.386 3.406 20 0 BGADHN CCC[C@@H](CC)N[C@@H](C)c1nccnc1C ZINC000188174052 169379277 /nfs/dbraw/zinc/37/92/77/169379277.db2.gz VALQUIPEIKRHCI-NWDGAFQWSA-N 0 3 221.348 3.014 20 0 BGADHN CCC[C@H](CC)N[C@@H](C)c1nccnc1C ZINC000188174075 385019636 /nfs/dbraw/zinc/01/96/36/385019636.db2.gz VALQUIPEIKRHCI-RYUDHWBXSA-N 0 3 221.348 3.014 20 0 BGADHN CCC[C@@H](CC)N[C@H](C)c1nccnc1C ZINC000188174103 169380327 /nfs/dbraw/zinc/38/03/27/169380327.db2.gz VALQUIPEIKRHCI-VXGBXAGGSA-N 0 3 221.348 3.014 20 0 BGADHN CCC[C@H](CC)N[C@H](C)c1nccnc1C ZINC000188174131 385021326 /nfs/dbraw/zinc/02/13/26/385021326.db2.gz VALQUIPEIKRHCI-NEPJUHHUSA-N 0 3 221.348 3.014 20 0 BGADHN Cc1nccnc1[C@@H](C)NCC1(C)CCCC1 ZINC000188186479 180280250 /nfs/dbraw/zinc/28/02/50/180280250.db2.gz AMUBIONFFUCESI-GFCCVEGCSA-N 0 3 233.359 3.016 20 0 BGADHN Cc1nccnc1[C@H](C)NCC1(C)CCCC1 ZINC000188186499 180281478 /nfs/dbraw/zinc/28/14/78/180281478.db2.gz AMUBIONFFUCESI-LBPRGKRZSA-N 0 3 233.359 3.016 20 0 BGADHN Cc1nccnc1[C@@H](C)NCCCC(C)(C)C ZINC000188212100 346795601 /nfs/dbraw/zinc/79/56/01/346795601.db2.gz DERSLDQNBGJPMR-LLVKDONJSA-N 0 3 235.375 3.262 20 0 BGADHN Cc1nccnc1[C@H](C)NCCCC(C)(C)C ZINC000188212125 353128615 /nfs/dbraw/zinc/12/86/15/353128615.db2.gz DERSLDQNBGJPMR-NSHDSACASA-N 0 3 235.375 3.262 20 0 BGADHN CC(C)(C)CCNCc1ccc(Cl)cn1 ZINC000188217734 386314163 /nfs/dbraw/zinc/31/41/63/386314163.db2.gz ZBPBGRGCTVSVHL-UHFFFAOYSA-N 0 3 226.751 3.261 20 0 BGADHN CN(C)CCSCc1cc(F)ccc1Cl ZINC000188222230 386311288 /nfs/dbraw/zinc/31/12/88/386311288.db2.gz MAZBZMDLYBJKRT-UHFFFAOYSA-N 0 3 247.766 3.274 20 0 BGADHN CCc1ccccc1CSCCN(C)C ZINC000188222304 205829968 /nfs/dbraw/zinc/82/99/68/205829968.db2.gz ZCKMICWDPDEGFH-UHFFFAOYSA-N 0 3 223.385 3.044 20 0 BGADHN Cc1nccnc1[C@@H](C)NCC1(CC(C)C)CC1 ZINC000188229940 180280399 /nfs/dbraw/zinc/28/03/99/180280399.db2.gz UPYUJRFKSKSZCH-CYBMUJFWSA-N 0 3 247.386 3.262 20 0 BGADHN Cc1nccnc1[C@H](C)NCC1(CC(C)C)CC1 ZINC000188229967 180282125 /nfs/dbraw/zinc/28/21/25/180282125.db2.gz UPYUJRFKSKSZCH-ZDUSSCGKSA-N 0 3 247.386 3.262 20 0 BGADHN CCCC1(CN[C@@H](C)c2nccnc2C)CCC1 ZINC000188232371 386325979 /nfs/dbraw/zinc/32/59/79/386325979.db2.gz ZPBCGQBIGMZWAK-ZDUSSCGKSA-N 0 3 247.386 3.406 20 0 BGADHN CCCC1(CN[C@H](C)c2nccnc2C)CCC1 ZINC000188232392 168600511 /nfs/dbraw/zinc/60/05/11/168600511.db2.gz ZPBCGQBIGMZWAK-CYBMUJFWSA-N 0 3 247.386 3.406 20 0 BGADHN CCCC1(CN[C@@H](C)c2nccnc2C)CC1 ZINC000188233478 385028429 /nfs/dbraw/zinc/02/84/29/385028429.db2.gz RVIGDDBUQGMLRP-LBPRGKRZSA-N 0 3 233.359 3.016 20 0 BGADHN CCCC1(CN[C@H](C)c2nccnc2C)CC1 ZINC000188233505 385029495 /nfs/dbraw/zinc/02/94/95/385029495.db2.gz RVIGDDBUQGMLRP-GFCCVEGCSA-N 0 3 233.359 3.016 20 0 BGADHN Cc1csc(SCCCN2CCCC2)n1 ZINC000188242664 385027485 /nfs/dbraw/zinc/02/74/85/385027485.db2.gz DVEAJIUDLJAPET-UHFFFAOYSA-N 0 3 242.413 3.030 20 0 BGADHN CCOc1ncccc1CNCCC(C)(C)C ZINC000188246956 386323981 /nfs/dbraw/zinc/32/39/81/386323981.db2.gz YPGLZUDWSHEFEM-UHFFFAOYSA-N 0 3 236.359 3.006 20 0 BGADHN Cc1nccnc1[C@@H](C)NCC1(C2CC2)CCC1 ZINC000188262680 180280200 /nfs/dbraw/zinc/28/02/00/180280200.db2.gz DWOHYTRILFYPMW-GFCCVEGCSA-N 0 3 245.370 3.016 20 0 BGADHN Cc1nccnc1[C@H](C)NCC1(C2CC2)CCC1 ZINC000188262701 180282740 /nfs/dbraw/zinc/28/27/40/180282740.db2.gz DWOHYTRILFYPMW-LBPRGKRZSA-N 0 3 245.370 3.016 20 0 BGADHN CC(C)Cn1ccnc1CNCCC(C)(C)C ZINC000188266310 386344066 /nfs/dbraw/zinc/34/40/66/386344066.db2.gz BTWXNGUEAFQFFD-UHFFFAOYSA-N 0 3 237.391 3.065 20 0 BGADHN Cc1cccn2cc(CNCCC(C)(C)C)nc12 ZINC000188267241 386344368 /nfs/dbraw/zinc/34/43/68/386344368.db2.gz PUTZTUKIAQQPGZ-UHFFFAOYSA-N 0 3 245.370 3.169 20 0 BGADHN CCc1ccc([C@@H](C)NCC=C(C)C)o1 ZINC000188441686 386525409 /nfs/dbraw/zinc/52/54/09/386525409.db2.gz LZFCELIDPDBNBS-LLVKDONJSA-N 0 3 207.317 3.459 20 0 BGADHN CCc1ccc([C@H](C)NCC=C(C)C)o1 ZINC000188441704 386526427 /nfs/dbraw/zinc/52/64/27/386526427.db2.gz LZFCELIDPDBNBS-NSHDSACASA-N 0 3 207.317 3.459 20 0 BGADHN CC(C)=CCN[C@@H]1CCCOc2ccccc21 ZINC000188447516 357554313 /nfs/dbraw/zinc/55/43/13/357554313.db2.gz OCSXRKZVWXTFMZ-CQSZACIVSA-N 0 3 231.339 3.456 20 0 BGADHN CC(C)=CCN[C@H]1CCCOc2ccccc21 ZINC000188447541 357554601 /nfs/dbraw/zinc/55/46/01/357554601.db2.gz OCSXRKZVWXTFMZ-AWEZNQCLSA-N 0 3 231.339 3.456 20 0 BGADHN CC(C)=CCN[C@H](C)c1cnn(C(C)C)c1C ZINC000188448487 385051821 /nfs/dbraw/zinc/05/18/21/385051821.db2.gz PHMLFSLSXUJCPT-GFCCVEGCSA-N 0 3 235.375 3.389 20 0 BGADHN CC(C)=CCN[C@@H](C)c1cnn(C(C)C)c1C ZINC000188448507 385052294 /nfs/dbraw/zinc/05/22/94/385052294.db2.gz PHMLFSLSXUJCPT-LBPRGKRZSA-N 0 3 235.375 3.389 20 0 BGADHN CC(C)=CCN[C@@H](C)c1ccccc1N(C)C ZINC000188450803 385709997 /nfs/dbraw/zinc/70/99/97/385709997.db2.gz YFSIOFJSPWRHDE-ZDUSSCGKSA-N 0 3 232.371 3.369 20 0 BGADHN CC(C)=CCN[C@H](C)c1ccccc1N(C)C ZINC000188450824 385709984 /nfs/dbraw/zinc/70/99/84/385709984.db2.gz YFSIOFJSPWRHDE-CYBMUJFWSA-N 0 3 232.371 3.369 20 0 BGADHN CCC[C@H](NCC=C(C)C)c1cccnc1 ZINC000188452115 386593903 /nfs/dbraw/zinc/59/39/03/386593903.db2.gz MYCVEPODSZOUPP-AWEZNQCLSA-N 0 3 218.344 3.479 20 0 BGADHN CCC[C@@H](NCC=C(C)C)c1cccnc1 ZINC000188452138 169399333 /nfs/dbraw/zinc/39/93/33/169399333.db2.gz MYCVEPODSZOUPP-CQSZACIVSA-N 0 3 218.344 3.479 20 0 BGADHN COc1ccc2c(c1)[C@H](NCC=C(C)C)CC2 ZINC000188452509 353161066 /nfs/dbraw/zinc/16/10/66/353161066.db2.gz KKYOSNKYCRYOAM-OAHLLOKOSA-N 0 3 231.339 3.238 20 0 BGADHN COc1ccc2c(c1)[C@@H](NCC=C(C)C)CC2 ZINC000188452536 353160859 /nfs/dbraw/zinc/16/08/59/353160859.db2.gz KKYOSNKYCRYOAM-HNNXBMFYSA-N 0 3 231.339 3.238 20 0 BGADHN CC(C)=CCN[C@H](C)c1cncc(C)c1 ZINC000188454612 386579926 /nfs/dbraw/zinc/57/99/26/386579926.db2.gz XBRNTDPMTNLWIC-GFCCVEGCSA-N 0 3 204.317 3.007 20 0 BGADHN CC(C)=CCN[C@@H](C)c1cncc(C)c1 ZINC000188454636 386581596 /nfs/dbraw/zinc/58/15/96/386581596.db2.gz XBRNTDPMTNLWIC-LBPRGKRZSA-N 0 3 204.317 3.007 20 0 BGADHN COc1ccsc1[C@H](C)NCC=C(C)C ZINC000188454749 175379574 /nfs/dbraw/zinc/37/95/74/175379574.db2.gz PUOPRDZUYMTSOX-JTQLQIEISA-N 0 3 225.357 3.374 20 0 BGADHN COc1ccsc1[C@@H](C)NCC=C(C)C ZINC000188454768 175379174 /nfs/dbraw/zinc/37/91/74/175379174.db2.gz PUOPRDZUYMTSOX-SNVBAGLBSA-N 0 3 225.357 3.374 20 0 BGADHN COc1ccc([C@H](C)NCC=C(C)C)c(F)c1 ZINC000188456562 386591545 /nfs/dbraw/zinc/59/15/45/386591545.db2.gz XXZZPPDMYGYWLU-NSHDSACASA-N 0 3 237.318 3.451 20 0 BGADHN COc1ccc([C@@H](C)NCC=C(C)C)c(F)c1 ZINC000188456587 386591608 /nfs/dbraw/zinc/59/16/08/386591608.db2.gz XXZZPPDMYGYWLU-LLVKDONJSA-N 0 3 237.318 3.451 20 0 BGADHN CC(C)=CCN[C@@H](C)c1ccc(NC(C)=O)cc1 ZINC000188457378 385055747 /nfs/dbraw/zinc/05/57/47/385055747.db2.gz HSMCTJYJRUPWTF-LBPRGKRZSA-N 0 3 246.354 3.262 20 0 BGADHN CC(C)=CCN[C@H](C)c1ccc(NC(C)=O)cc1 ZINC000188457404 385055817 /nfs/dbraw/zinc/05/58/17/385055817.db2.gz HSMCTJYJRUPWTF-GFCCVEGCSA-N 0 3 246.354 3.262 20 0 BGADHN COc1cccc2c1CC[C@H]2NCC=C(C)C ZINC000188457644 398053174 /nfs/dbraw/zinc/05/31/74/398053174.db2.gz FOEJCXFRINDYNG-CQSZACIVSA-N 0 3 231.339 3.238 20 0 BGADHN COc1cccc2c1CC[C@@H]2NCC=C(C)C ZINC000188457665 398053306 /nfs/dbraw/zinc/05/33/06/398053306.db2.gz FOEJCXFRINDYNG-AWEZNQCLSA-N 0 3 231.339 3.238 20 0 BGADHN CC(C)=CCN[C@H](C)c1cnc(C)s1 ZINC000188457808 538978689 /nfs/dbraw/zinc/97/86/89/538978689.db2.gz QRHRPNDNTYBJAL-SECBINFHSA-N 0 3 210.346 3.068 20 0 BGADHN CC(C)=CCN[C@@H](C)c1cnc(C)s1 ZINC000188457828 538978941 /nfs/dbraw/zinc/97/89/41/538978941.db2.gz QRHRPNDNTYBJAL-VIFPVBQESA-N 0 3 210.346 3.068 20 0 BGADHN CCC[C@H](NCC=C(C)C)c1ccccn1 ZINC000188459083 386655754 /nfs/dbraw/zinc/65/57/54/386655754.db2.gz APVAPEKQNXXLNW-ZDUSSCGKSA-N 0 3 218.344 3.479 20 0 BGADHN CCC[C@@H](NCC=C(C)C)c1ccccn1 ZINC000188459109 219895967 /nfs/dbraw/zinc/89/59/67/219895967.db2.gz APVAPEKQNXXLNW-CYBMUJFWSA-N 0 3 218.344 3.479 20 0 BGADHN CC(C)=CCN[C@@H]1CCCc2nc(C)sc21 ZINC000188459907 353168629 /nfs/dbraw/zinc/16/86/29/353168629.db2.gz QODFULUTULGOJH-LLVKDONJSA-N 0 3 236.384 3.385 20 0 BGADHN CC(C)=CCN[C@H]1CCCc2nc(C)sc21 ZINC000188459930 353168780 /nfs/dbraw/zinc/16/87/80/353168780.db2.gz QODFULUTULGOJH-NSHDSACASA-N 0 3 236.384 3.385 20 0 BGADHN C[C@@H](c1ccccc1)N(C)C[C@H]1CC[C@@H](C)O1 ZINC000188536391 176020461 /nfs/dbraw/zinc/02/04/61/176020461.db2.gz OPXRMJHPNXETAP-VNHYZAJKSA-N 0 3 233.355 3.247 20 0 BGADHN C[C@@H](c1ccccc1)N(C)C[C@@H]1CC[C@@H](C)O1 ZINC000188536433 176021040 /nfs/dbraw/zinc/02/10/40/176021040.db2.gz OPXRMJHPNXETAP-IPYPFGDCSA-N 0 3 233.355 3.247 20 0 BGADHN C[C@@H]1CC[C@H](CN(Cc2ccccc2)C2CC2)O1 ZINC000188538118 357559244 /nfs/dbraw/zinc/55/92/44/357559244.db2.gz MXFDLMCBOKTIHJ-CZUORRHYSA-N 0 3 245.366 3.219 20 0 BGADHN C[C@H]1CC[C@H](CN(Cc2ccccc2)C2CC2)O1 ZINC000188538138 357559096 /nfs/dbraw/zinc/55/90/96/357559096.db2.gz MXFDLMCBOKTIHJ-XJKSGUPXSA-N 0 3 245.366 3.219 20 0 BGADHN C[C@@H]1CC[C@@H](CN(Cc2ccccc2)C2CC2)O1 ZINC000188538160 357559447 /nfs/dbraw/zinc/55/94/47/357559447.db2.gz MXFDLMCBOKTIHJ-CJNGLKHVSA-N 0 3 245.366 3.219 20 0 BGADHN C[C@H]1CC[C@@H](CN(Cc2ccccc2)C2CC2)O1 ZINC000188538185 357559575 /nfs/dbraw/zinc/55/95/75/357559575.db2.gz MXFDLMCBOKTIHJ-BBRMVZONSA-N 0 3 245.366 3.219 20 0 BGADHN CCN(Cc1cccs1)C[C@@H]1CC[C@H](C)O1 ZINC000188538464 347283710 /nfs/dbraw/zinc/28/37/10/347283710.db2.gz HCBFBACZHMCZBD-RYUDHWBXSA-N 0 3 239.384 3.138 20 0 BGADHN CCN(Cc1cccs1)C[C@H]1CC[C@H](C)O1 ZINC000188538488 347283969 /nfs/dbraw/zinc/28/39/69/347283969.db2.gz HCBFBACZHMCZBD-NWDGAFQWSA-N 0 3 239.384 3.138 20 0 BGADHN C[C@@H](c1cccs1)N(C)C[C@H]1CC[C@@H](C)O1 ZINC000188540278 176033125 /nfs/dbraw/zinc/03/31/25/176033125.db2.gz YGFNEEXHDLFMFK-GRYCIOLGSA-N 0 3 239.384 3.308 20 0 BGADHN C[C@@H](c1cccs1)N(C)C[C@@H]1CC[C@@H](C)O1 ZINC000188540326 176033307 /nfs/dbraw/zinc/03/33/07/176033307.db2.gz YGFNEEXHDLFMFK-WOPDTQHZSA-N 0 3 239.384 3.308 20 0 BGADHN CC[C@@H](C)CNCc1nc2cc(C)ccc2n1C ZINC000188544907 385063956 /nfs/dbraw/zinc/06/39/56/385063956.db2.gz WNNIPHGCLCTYLL-LLVKDONJSA-N 0 3 245.370 3.017 20 0 BGADHN CC[C@H](C)CNCc1nc2cc(C)ccc2n1C ZINC000188544927 171286089 /nfs/dbraw/zinc/28/60/89/171286089.db2.gz WNNIPHGCLCTYLL-NSHDSACASA-N 0 3 245.370 3.017 20 0 BGADHN Cc1ccc(CN(C)C[C@@H]2CC[C@H](C)O2)s1 ZINC000188545001 385062011 /nfs/dbraw/zinc/06/20/11/385062011.db2.gz HIWHEIZTTATRLA-JQWIXIFHSA-N 0 3 239.384 3.056 20 0 BGADHN Cc1ccc(CN(C)C[C@H]2CC[C@H](C)O2)s1 ZINC000188545027 385061820 /nfs/dbraw/zinc/06/18/20/385061820.db2.gz HIWHEIZTTATRLA-CMPLNLGQSA-N 0 3 239.384 3.056 20 0 BGADHN C[C@H]1CN(C[C@H]2CC[C@@H](C)O2)[C@H]1c1ccccc1 ZINC000188557863 177258480 /nfs/dbraw/zinc/25/84/80/177258480.db2.gz LMSMDRLKJZMXLL-SJXGUFTOSA-N 0 3 245.366 3.247 20 0 BGADHN CC[C@H](c1ccncc1)N(C)C[C@@H]1CC[C@H](C)O1 ZINC000188566014 385066504 /nfs/dbraw/zinc/06/65/04/385066504.db2.gz TZBOQXOHRMYUKF-AEGPPILISA-N 0 3 248.370 3.032 20 0 BGADHN C[C@@H](c1ccco1)N(C[C@H]1CC[C@@H](C)O1)C1CC1 ZINC000188572282 176032763 /nfs/dbraw/zinc/03/27/63/176032763.db2.gz PPGLQYMUCBFKQS-MBNYWOFBSA-N 0 3 249.354 3.373 20 0 BGADHN C[C@@H](c1ccco1)N(C[C@@H]1CC[C@@H](C)O1)C1CC1 ZINC000188572326 176032738 /nfs/dbraw/zinc/03/27/38/176032738.db2.gz PPGLQYMUCBFKQS-DYEKYZERSA-N 0 3 249.354 3.373 20 0 BGADHN Fc1ccc2c(c1)CC[C@@H]2NC[C@@H]1CCC=CO1 ZINC000188580792 398220864 /nfs/dbraw/zinc/22/08/64/398220864.db2.gz NGBVBWAUHLZRDG-ZFWWWQNUSA-N 0 3 247.313 3.095 20 0 BGADHN Fc1ccc2c(c1)CC[C@H]2NC[C@@H]1CCC=CO1 ZINC000188580816 398220818 /nfs/dbraw/zinc/22/08/18/398220818.db2.gz NGBVBWAUHLZRDG-DZGCQCFKSA-N 0 3 247.313 3.095 20 0 BGADHN Fc1ccc2c(c1)CC[C@@H]2NC[C@H]1CCC=CO1 ZINC000188580838 398220873 /nfs/dbraw/zinc/22/08/73/398220873.db2.gz NGBVBWAUHLZRDG-HIFRSBDPSA-N 0 3 247.313 3.095 20 0 BGADHN Fc1ccc2c(c1)CC[C@H]2NC[C@H]1CCC=CO1 ZINC000188580862 398220981 /nfs/dbraw/zinc/22/09/81/398220981.db2.gz NGBVBWAUHLZRDG-UKRRQHHQSA-N 0 3 247.313 3.095 20 0 BGADHN CN(Cc1ccccc1)C[C@H](O)CC1CCCC1 ZINC000188634181 353260581 /nfs/dbraw/zinc/26/05/81/353260581.db2.gz PJVIIEYKHYFIJM-MRXNPFEDSA-N 0 3 247.382 3.060 20 0 BGADHN CN(Cc1ccccc1)C[C@@H](O)CC1CCCC1 ZINC000188634208 353260389 /nfs/dbraw/zinc/26/03/89/353260389.db2.gz PJVIIEYKHYFIJM-INIZCTEOSA-N 0 3 247.382 3.060 20 0 BGADHN CCC1(CC)CCN(Cc2cn(C)nc2C)CC1 ZINC000188659413 357570336 /nfs/dbraw/zinc/57/03/36/357570336.db2.gz IGTKIOXEHHYQHM-UHFFFAOYSA-N 0 3 249.402 3.131 20 0 BGADHN CCn1cc(CN2CCC(CC)(CC)CC2)cn1 ZINC000188659726 357570709 /nfs/dbraw/zinc/57/07/09/357570709.db2.gz WYMHECNCUGPQDN-UHFFFAOYSA-N 0 3 249.402 3.305 20 0 BGADHN CCn1nccc1CN1CCC(CC)(CC)CC1 ZINC000188659790 357570586 /nfs/dbraw/zinc/57/05/86/357570586.db2.gz ZCPAYKCXKQGHTL-UHFFFAOYSA-N 0 3 249.402 3.305 20 0 BGADHN CCC1(CC)CCN(Cc2c[nH]nc2C)CC1 ZINC000188659854 357570680 /nfs/dbraw/zinc/57/06/80/357570680.db2.gz NZMYQLQNWHCXLK-UHFFFAOYSA-N 0 3 235.375 3.120 20 0 BGADHN N#CC(C(=O)C[C@H]1C=CCCC1)c1ccccn1 ZINC000188677078 641764864 /nfs/dbraw/zinc/76/48/64/641764864.db2.gz MQQQCIZDIDEQNQ-QWHCGFSZSA-N 0 3 240.306 3.004 20 0 BGADHN N#CC(C(=O)C[C@H]1C=CCCC1)c1ccccn1 ZINC000188677099 641765524 /nfs/dbraw/zinc/76/55/24/641765524.db2.gz MQQQCIZDIDEQNQ-STQMWFEESA-N 0 3 240.306 3.004 20 0 BGADHN N#CC(C(=O)C[C@@H]1C=CCCC1)c1ccccn1 ZINC000188677117 641765895 /nfs/dbraw/zinc/76/58/95/641765895.db2.gz MQQQCIZDIDEQNQ-CHWSQXEVSA-N 0 3 240.306 3.004 20 0 BGADHN N#CC(C(=O)C[C@@H]1C=CCCC1)c1ccccn1 ZINC000188677142 641765462 /nfs/dbraw/zinc/76/54/62/641765462.db2.gz MQQQCIZDIDEQNQ-OLZOCXBDSA-N 0 3 240.306 3.004 20 0 BGADHN CCOC(C)(C)CN[C@H](C)c1ccc(CC)o1 ZINC000188690499 387068175 /nfs/dbraw/zinc/06/81/75/387068175.db2.gz KTQROBHHJUIEGN-LLVKDONJSA-N 0 3 239.359 3.308 20 0 BGADHN CCOC(C)(C)CN[C@@H](C)c1ccc(CC)o1 ZINC000188690522 387070216 /nfs/dbraw/zinc/07/02/16/387070216.db2.gz KTQROBHHJUIEGN-NSHDSACASA-N 0 3 239.359 3.308 20 0 BGADHN CC(C)C(C)(C)CN[C@@H](c1nccn1C)C1CC1 ZINC000188709302 387084424 /nfs/dbraw/zinc/08/44/24/387084424.db2.gz ZFTMWHBINKYTQY-CYBMUJFWSA-N 0 3 249.402 3.143 20 0 BGADHN CC(C)C(C)(C)CN[C@H](c1nccn1C)C1CC1 ZINC000188709324 387085766 /nfs/dbraw/zinc/08/57/66/387085766.db2.gz ZFTMWHBINKYTQY-ZDUSSCGKSA-N 0 3 249.402 3.143 20 0 BGADHN CC(C)C(C)(C)CN[C@@H](C)c1nccs1 ZINC000188710134 387085652 /nfs/dbraw/zinc/08/56/52/387085652.db2.gz VGTNHZVFIFOLKF-JTQLQIEISA-N 0 3 226.389 3.476 20 0 BGADHN CC(C)C(C)(C)CN[C@H](C)c1nccs1 ZINC000188710162 384162982 /nfs/dbraw/zinc/16/29/82/384162982.db2.gz VGTNHZVFIFOLKF-SNVBAGLBSA-N 0 3 226.389 3.476 20 0 BGADHN CC[C@H](NCC(C)(C)C(C)C)c1nccn1C ZINC000188711188 387085968 /nfs/dbraw/zinc/08/59/68/387085968.db2.gz LWGNBQGOOIIMOD-LBPRGKRZSA-N 0 3 237.391 3.143 20 0 BGADHN CC[C@@H](NCC(C)(C)C(C)C)c1nccn1C ZINC000188711213 387085937 /nfs/dbraw/zinc/08/59/37/387085937.db2.gz LWGNBQGOOIIMOD-GFCCVEGCSA-N 0 3 237.391 3.143 20 0 BGADHN CN(Cc1ccco1)CC1(c2ccccc2)CC1 ZINC000188715079 387085310 /nfs/dbraw/zinc/08/53/10/387085310.db2.gz JPSFJWKQJFTOFX-UHFFFAOYSA-N 0 3 241.334 3.443 20 0 BGADHN CCCC[C@@H](C)N[C@@H](C)c1ccncc1OC ZINC000188771439 387081204 /nfs/dbraw/zinc/08/12/04/387081204.db2.gz HCYVOBUJPBQCNW-NEPJUHHUSA-N 0 3 236.359 3.320 20 0 BGADHN CCCC[C@H](C)N[C@@H](C)c1ccncc1OC ZINC000188771465 387081517 /nfs/dbraw/zinc/08/15/17/387081517.db2.gz HCYVOBUJPBQCNW-RYUDHWBXSA-N 0 3 236.359 3.320 20 0 BGADHN CCCC[C@@H](C)N[C@H](C)c1ccncc1OC ZINC000188771488 387080205 /nfs/dbraw/zinc/08/02/05/387080205.db2.gz HCYVOBUJPBQCNW-VXGBXAGGSA-N 0 3 236.359 3.320 20 0 BGADHN CCCC[C@H](C)N[C@H](C)c1ccncc1OC ZINC000188771510 387080457 /nfs/dbraw/zinc/08/04/57/387080457.db2.gz HCYVOBUJPBQCNW-NWDGAFQWSA-N 0 3 236.359 3.320 20 0 BGADHN COc1cnccc1[C@H](C)N[C@H](C)CC(C)C ZINC000188771540 387080277 /nfs/dbraw/zinc/08/02/77/387080277.db2.gz GVNQGKLYOBKWSM-NEPJUHHUSA-N 0 3 236.359 3.175 20 0 BGADHN COc1cnccc1[C@H](C)N[C@@H](C)CC(C)C ZINC000188771561 387080113 /nfs/dbraw/zinc/08/01/13/387080113.db2.gz GVNQGKLYOBKWSM-RYUDHWBXSA-N 0 3 236.359 3.175 20 0 BGADHN COc1cnccc1[C@@H](C)N[C@H](C)CC(C)C ZINC000188771585 387080413 /nfs/dbraw/zinc/08/04/13/387080413.db2.gz GVNQGKLYOBKWSM-VXGBXAGGSA-N 0 3 236.359 3.175 20 0 BGADHN COc1cnccc1[C@@H](C)N[C@@H](C)CC(C)C ZINC000188771611 387079993 /nfs/dbraw/zinc/07/99/93/387079993.db2.gz GVNQGKLYOBKWSM-NWDGAFQWSA-N 0 3 236.359 3.175 20 0 BGADHN COc1cnccc1[C@H](C)N[C@@H](C)CCC1CC1 ZINC000188774599 387083736 /nfs/dbraw/zinc/08/37/36/387083736.db2.gz MJOCPGCVBDRYMM-RYUDHWBXSA-N 0 3 248.370 3.320 20 0 BGADHN COc1cnccc1[C@H](C)N[C@H](C)CCC1CC1 ZINC000188774623 387082360 /nfs/dbraw/zinc/08/23/60/387082360.db2.gz MJOCPGCVBDRYMM-NEPJUHHUSA-N 0 3 248.370 3.320 20 0 BGADHN COc1cnccc1[C@@H](C)N[C@@H](C)CCC1CC1 ZINC000188774648 387082956 /nfs/dbraw/zinc/08/29/56/387082956.db2.gz MJOCPGCVBDRYMM-NWDGAFQWSA-N 0 3 248.370 3.320 20 0 BGADHN COc1cnccc1[C@@H](C)N[C@H](C)CCC1CC1 ZINC000188774664 387083606 /nfs/dbraw/zinc/08/36/06/387083606.db2.gz MJOCPGCVBDRYMM-VXGBXAGGSA-N 0 3 248.370 3.320 20 0 BGADHN C[C@@H](c1cccs1)N(C)CCOCC(F)F ZINC000188774852 176033279 /nfs/dbraw/zinc/03/32/79/176033279.db2.gz XRFJMAJBXWYJGT-VIFPVBQESA-N 0 3 249.326 3.023 20 0 BGADHN C[C@H](c1cccs1)N(C)CCOCC(F)F ZINC000188774872 177049002 /nfs/dbraw/zinc/04/90/02/177049002.db2.gz XRFJMAJBXWYJGT-SECBINFHSA-N 0 3 249.326 3.023 20 0 BGADHN COc1cnccc1[C@H](C)NC1CCCCC1 ZINC000188776361 387082296 /nfs/dbraw/zinc/08/22/96/387082296.db2.gz VZTIZQPPXGPGMC-NSHDSACASA-N 0 3 234.343 3.074 20 0 BGADHN COc1cnccc1[C@@H](C)NC1CCCCC1 ZINC000188776382 387082505 /nfs/dbraw/zinc/08/25/05/387082505.db2.gz VZTIZQPPXGPGMC-LLVKDONJSA-N 0 3 234.343 3.074 20 0 BGADHN COc1cnccc1[C@H](C)NC1CCC(C)CC1 ZINC000188780057 387082323 /nfs/dbraw/zinc/08/23/23/387082323.db2.gz LJHWKEBVXLVDCL-CPCZMJQVSA-N 0 3 248.370 3.320 20 0 BGADHN COc1cnccc1[C@@H](C)NC1CCC(C)CC1 ZINC000188780077 387082898 /nfs/dbraw/zinc/08/28/98/387082898.db2.gz LJHWKEBVXLVDCL-OTTFEQOBSA-N 0 3 248.370 3.320 20 0 BGADHN c1cc(CNC2CCC3(CCCCC3)CC2)n[nH]1 ZINC000188790065 259370026 /nfs/dbraw/zinc/37/00/26/259370026.db2.gz FISCMVFFSASPOD-UHFFFAOYSA-N 0 3 247.386 3.392 20 0 BGADHN CCc1ccc([C@H](C)N[C@@H]2CC[C@H](OC)C2)o1 ZINC000188809973 388610187 /nfs/dbraw/zinc/61/01/87/388610187.db2.gz CDAZGBKCHONDCR-LOWVWBTDSA-N 0 3 237.343 3.060 20 0 BGADHN CCc1ccc([C@H](C)N[C@H]2CC[C@H](OC)C2)o1 ZINC000188810014 259383605 /nfs/dbraw/zinc/38/36/05/259383605.db2.gz CDAZGBKCHONDCR-GVXVVHGQSA-N 0 3 237.343 3.060 20 0 BGADHN CCOC1CCN(Cc2cccc(CC)c2)CC1 ZINC000188866377 538979864 /nfs/dbraw/zinc/97/98/64/538979864.db2.gz ANKJZFLLBKUAKK-UHFFFAOYSA-N 0 3 247.382 3.250 20 0 BGADHN C[C@H](NCc1ccc(F)nc1)c1ccccc1 ZINC000188962659 634159374 /nfs/dbraw/zinc/15/93/74/634159374.db2.gz ROICLLZTOKHIHT-NSHDSACASA-N 0 3 230.286 3.072 20 0 BGADHN C[C@@H](NCc1ccc(F)nc1)c1ccccc1 ZINC000188962675 641778037 /nfs/dbraw/zinc/77/80/37/641778037.db2.gz ROICLLZTOKHIHT-LLVKDONJSA-N 0 3 230.286 3.072 20 0 BGADHN Cc1ccccc1[C@@H](C)NCc1ccc(F)nc1 ZINC000188962899 641778179 /nfs/dbraw/zinc/77/81/79/641778179.db2.gz BXCGDECJTTUYBU-GFCCVEGCSA-N 0 3 244.313 3.380 20 0 BGADHN C[C@H](NCc1ccc(F)nc1)c1cccs1 ZINC000188964648 641779354 /nfs/dbraw/zinc/77/93/54/641779354.db2.gz QZELUEDNKYAAAH-VIFPVBQESA-N 0 3 236.315 3.133 20 0 BGADHN C[C@@H](NCc1ccc(F)nc1)c1cccs1 ZINC000188964670 641779401 /nfs/dbraw/zinc/77/94/01/641779401.db2.gz QZELUEDNKYAAAH-SECBINFHSA-N 0 3 236.315 3.133 20 0 BGADHN Cc1ccc(CNCc2ccc(F)nc2)c(C)c1 ZINC000188995368 641782450 /nfs/dbraw/zinc/78/24/50/641782450.db2.gz SLLSMKHXWIYDBF-UHFFFAOYSA-N 0 3 244.313 3.127 20 0 BGADHN Cc1ccc([C@@H](C)NCc2ccc(F)nc2)cc1 ZINC000188996256 634160568 /nfs/dbraw/zinc/16/05/68/634160568.db2.gz PXHWRNPKMUIPJJ-GFCCVEGCSA-N 0 3 244.313 3.380 20 0 BGADHN Cc1ccc([C@H](C)NCc2ccc(F)nc2)cc1 ZINC000188996280 641781249 /nfs/dbraw/zinc/78/12/49/641781249.db2.gz PXHWRNPKMUIPJJ-LBPRGKRZSA-N 0 3 244.313 3.380 20 0 BGADHN Cc1oncc1CN1CCC(C(C)(C)C)CC1 ZINC000189014980 398095921 /nfs/dbraw/zinc/09/59/21/398095921.db2.gz FFAZGGLZCURQEX-UHFFFAOYSA-N 0 3 236.359 3.241 20 0 BGADHN c1coc(CN[C@@H]2CCC23CCCC3)c1 ZINC000189035685 187228839 /nfs/dbraw/zinc/22/88/39/187228839.db2.gz DMBZJUXAMFVMNK-GFCCVEGCSA-N 0 3 205.301 3.092 20 0 BGADHN c1coc(CN[C@H]2CCC23CCCC3)c1 ZINC000189035708 187228988 /nfs/dbraw/zinc/22/89/88/187228988.db2.gz DMBZJUXAMFVMNK-LBPRGKRZSA-N 0 3 205.301 3.092 20 0 BGADHN C[C@H](N[C@@H]1CCC12CCCC2)c1ccccn1 ZINC000189036261 385117467 /nfs/dbraw/zinc/11/74/67/385117467.db2.gz MPFKXZWHWXHJEN-GXTWGEPZSA-N 0 3 230.355 3.455 20 0 BGADHN C[C@@H](N[C@@H]1CCC12CCCC2)c1ccccn1 ZINC000189036284 385117183 /nfs/dbraw/zinc/11/71/83/385117183.db2.gz MPFKXZWHWXHJEN-TZMCWYRMSA-N 0 3 230.355 3.455 20 0 BGADHN C[C@H](N[C@H]1CCC12CCCC2)c1ccccn1 ZINC000189036307 385118078 /nfs/dbraw/zinc/11/80/78/385118078.db2.gz MPFKXZWHWXHJEN-JSGCOSHPSA-N 0 3 230.355 3.455 20 0 BGADHN C[C@@H](N[C@H]1CCC12CCCC2)c1ccccn1 ZINC000189036330 385116429 /nfs/dbraw/zinc/11/64/29/385116429.db2.gz MPFKXZWHWXHJEN-OCCSQVGLSA-N 0 3 230.355 3.455 20 0 BGADHN Cc1csc(CN[C@@H]2CCC23CCCC3)n1 ZINC000189054034 346855488 /nfs/dbraw/zinc/85/54/88/346855488.db2.gz MKFUUFSYAOCOHR-LLVKDONJSA-N 0 3 236.384 3.264 20 0 BGADHN Cc1csc(CN[C@H]2CCC23CCCC3)n1 ZINC000189054059 346855909 /nfs/dbraw/zinc/85/59/09/346855909.db2.gz MKFUUFSYAOCOHR-NSHDSACASA-N 0 3 236.384 3.264 20 0 BGADHN CCc1cccc(CSCCN(C)C)c1 ZINC000189064392 259384208 /nfs/dbraw/zinc/38/42/08/259384208.db2.gz UZTFULKVGSXYTB-UHFFFAOYSA-N 0 3 223.385 3.044 20 0 BGADHN CN(C)CCSCc1cc(Cl)ccc1F ZINC000189064464 398097456 /nfs/dbraw/zinc/09/74/56/398097456.db2.gz RDKXYDDJZRMXBI-UHFFFAOYSA-N 0 3 247.766 3.274 20 0 BGADHN CN(C)CCSCc1ccc(F)c(Cl)c1 ZINC000189064493 398097467 /nfs/dbraw/zinc/09/74/67/398097467.db2.gz MZWLOQPEMARVGW-UHFFFAOYSA-N 0 3 247.766 3.274 20 0 BGADHN Cc1cccc(CN[C@@H]2CCC23CCCC3)n1 ZINC000189075514 346857290 /nfs/dbraw/zinc/85/72/90/346857290.db2.gz OTJPJDPWVOWEDB-CQSZACIVSA-N 0 3 230.355 3.202 20 0 BGADHN Cc1cccc(CN[C@H]2CCC23CCCC3)n1 ZINC000189075530 346857361 /nfs/dbraw/zinc/85/73/61/346857361.db2.gz OTJPJDPWVOWEDB-AWEZNQCLSA-N 0 3 230.355 3.202 20 0 BGADHN c1cc(CN[C@@H]2CCC23CCCC3)co1 ZINC000189078947 183352437 /nfs/dbraw/zinc/35/24/37/183352437.db2.gz YNSTWKDDHFHOMW-GFCCVEGCSA-N 0 3 205.301 3.092 20 0 BGADHN c1cc(CN[C@H]2CCC23CCCC3)co1 ZINC000189078970 183353984 /nfs/dbraw/zinc/35/39/84/183353984.db2.gz YNSTWKDDHFHOMW-LBPRGKRZSA-N 0 3 205.301 3.092 20 0 BGADHN Cc1noc(C)c1CN[C@@H]1CCC12CCCC2 ZINC000189083945 388620270 /nfs/dbraw/zinc/62/02/70/388620270.db2.gz XCUUEBCRSUUPOC-CYBMUJFWSA-N 0 3 234.343 3.104 20 0 BGADHN Cc1noc(C)c1CN[C@H]1CCC12CCCC2 ZINC000189083968 259538234 /nfs/dbraw/zinc/53/82/34/259538234.db2.gz XCUUEBCRSUUPOC-ZDUSSCGKSA-N 0 3 234.343 3.104 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1N(C)Cc1cc(C)on1 ZINC000189095105 388621068 /nfs/dbraw/zinc/62/10/68/388621068.db2.gz CRPVSEYLJIRMII-OCCSQVGLSA-N 0 3 236.359 3.384 20 0 BGADHN CC[C@H]1CCCC[C@@H]1N(C)Cc1cc(C)on1 ZINC000189095129 388621416 /nfs/dbraw/zinc/62/14/16/388621416.db2.gz CRPVSEYLJIRMII-JSGCOSHPSA-N 0 3 236.359 3.384 20 0 BGADHN CC[C@@H]1CCCC[C@H]1N(C)Cc1cc(C)on1 ZINC000189095148 388621827 /nfs/dbraw/zinc/62/18/27/388621827.db2.gz CRPVSEYLJIRMII-TZMCWYRMSA-N 0 3 236.359 3.384 20 0 BGADHN CC[C@H]1CCCC[C@H]1N(C)Cc1cc(C)on1 ZINC000189095172 388621599 /nfs/dbraw/zinc/62/15/99/388621599.db2.gz CRPVSEYLJIRMII-GXTWGEPZSA-N 0 3 236.359 3.384 20 0 BGADHN Fc1ccc(CNC/C=C/c2ccccc2)cn1 ZINC000189096457 641787564 /nfs/dbraw/zinc/78/75/64/641787564.db2.gz DQBRMGCNRDXVNS-QPJJXVBHSA-N 0 3 242.297 3.024 20 0 BGADHN CCc1ccccc1CN(C)CCSC ZINC000189114204 385942845 /nfs/dbraw/zinc/94/28/45/385942845.db2.gz ZFZNTDRFOFVPGC-UHFFFAOYSA-N 0 3 223.385 3.044 20 0 BGADHN CCc1ccccc1CNCc1ccc(F)nc1 ZINC000189124009 641789427 /nfs/dbraw/zinc/78/94/27/641789427.db2.gz YLGKAAFJNAIZEP-UHFFFAOYSA-N 0 3 244.313 3.073 20 0 BGADHN Cc1cnc(CN[C@@H]2CCC23CCCC3)s1 ZINC000189137521 346861041 /nfs/dbraw/zinc/86/10/41/346861041.db2.gz ZPGTYMBFQLOMPV-LLVKDONJSA-N 0 3 236.384 3.264 20 0 BGADHN Cc1cnc(CN[C@H]2CCC23CCCC3)s1 ZINC000189137542 346861442 /nfs/dbraw/zinc/86/14/42/346861442.db2.gz ZPGTYMBFQLOMPV-NSHDSACASA-N 0 3 236.384 3.264 20 0 BGADHN COc1ccc(F)cc1CN[C@H]1CC[C@@H](C)C1 ZINC000189205080 385952757 /nfs/dbraw/zinc/95/27/57/385952757.db2.gz HAVBWHJZRAMXRV-MFKMUULPSA-N 0 3 237.318 3.113 20 0 BGADHN COc1ccc(F)cc1CN[C@H]1CC[C@H](C)C1 ZINC000189205109 385951641 /nfs/dbraw/zinc/95/16/41/385951641.db2.gz HAVBWHJZRAMXRV-GWCFXTLKSA-N 0 3 237.318 3.113 20 0 BGADHN COc1ccc(F)cc1CN[C@@H]1CC[C@@H](C)C1 ZINC000189205128 385951470 /nfs/dbraw/zinc/95/14/70/385951470.db2.gz HAVBWHJZRAMXRV-ZWNOBZJWSA-N 0 3 237.318 3.113 20 0 BGADHN COc1ccc(F)cc1CN[C@@H]1CC[C@H](C)C1 ZINC000189205150 385951171 /nfs/dbraw/zinc/95/11/71/385951171.db2.gz HAVBWHJZRAMXRV-GXFFZTMASA-N 0 3 237.318 3.113 20 0 BGADHN OCC[C@@H](N[C@@H]1CCC12CCCC2)c1ccco1 ZINC000189223328 183090804 /nfs/dbraw/zinc/09/08/04/183090804.db2.gz PNNRWWCFURTAJH-TZMCWYRMSA-N 0 3 249.354 3.016 20 0 BGADHN OCC[C@H](N[C@@H]1CCC12CCCC2)c1ccco1 ZINC000189223354 183097650 /nfs/dbraw/zinc/09/76/50/183097650.db2.gz PNNRWWCFURTAJH-GXTWGEPZSA-N 0 3 249.354 3.016 20 0 BGADHN OCC[C@@H](N[C@H]1CCC12CCCC2)c1ccco1 ZINC000189223375 183091814 /nfs/dbraw/zinc/09/18/14/183091814.db2.gz PNNRWWCFURTAJH-OCCSQVGLSA-N 0 3 249.354 3.016 20 0 BGADHN OCC[C@H](N[C@H]1CCC12CCCC2)c1ccco1 ZINC000189223398 183096881 /nfs/dbraw/zinc/09/68/81/183096881.db2.gz PNNRWWCFURTAJH-JSGCOSHPSA-N 0 3 249.354 3.016 20 0 BGADHN Cc1cnc(CN(C)[C@@H]2CCCC[C@@H]2C)s1 ZINC000189252897 385976694 /nfs/dbraw/zinc/97/66/94/385976694.db2.gz OCLUZAKJDCYXIN-CMPLNLGQSA-N 0 3 238.400 3.462 20 0 BGADHN Cc1cnc(CN(C)[C@H]2CCCC[C@@H]2C)s1 ZINC000189252924 205858776 /nfs/dbraw/zinc/85/87/76/205858776.db2.gz OCLUZAKJDCYXIN-JQWIXIFHSA-N 0 3 238.400 3.462 20 0 BGADHN CCN(Cc1cc(C)on1)[C@@H]1CCCC[C@@H]1C ZINC000189255496 385976760 /nfs/dbraw/zinc/97/67/60/385976760.db2.gz WJWCYBTXTIRUPY-SMDDNHRTSA-N 0 3 236.359 3.384 20 0 BGADHN CCN(Cc1cc(C)on1)[C@H]1CCCC[C@@H]1C ZINC000189255518 385976674 /nfs/dbraw/zinc/97/66/74/385976674.db2.gz WJWCYBTXTIRUPY-FZMZJTMJSA-N 0 3 236.359 3.384 20 0 BGADHN CCOC1CC(CCN[C@@H](C)c2ccco2)C1 ZINC000189264248 170323279 /nfs/dbraw/zinc/32/32/79/170323279.db2.gz HSXVUHHNMAETMI-HIFPTAJRSA-N 0 3 237.343 3.135 20 0 BGADHN CCOC1CC(CCN[C@H](C)c2ccco2)C1 ZINC000189264267 170323739 /nfs/dbraw/zinc/32/37/39/170323739.db2.gz HSXVUHHNMAETMI-PNESKVBLSA-N 0 3 237.343 3.135 20 0 BGADHN CC(C)OCCN(C)CC1(c2ccccc2)CC1 ZINC000189302326 385975832 /nfs/dbraw/zinc/97/58/32/385975832.db2.gz OLYYSRWMLPCBDK-UHFFFAOYSA-N 0 3 247.382 3.075 20 0 BGADHN Fc1ccc(CN2CCC[C@@H]2C2CCCC2)cn1 ZINC000189306274 357631204 /nfs/dbraw/zinc/63/12/04/357631204.db2.gz WCQNVDMZEBEWQH-CQSZACIVSA-N 0 3 248.345 3.375 20 0 BGADHN Fc1ccc(CN2CCC[C@H]2C2CCCC2)cn1 ZINC000189306298 357631549 /nfs/dbraw/zinc/63/15/49/357631549.db2.gz WCQNVDMZEBEWQH-AWEZNQCLSA-N 0 3 248.345 3.375 20 0 BGADHN CCOC[C@H](N[C@@H](C)c1ccc(C)o1)C(C)C ZINC000189348631 385147542 /nfs/dbraw/zinc/14/75/42/385147542.db2.gz AINYZJQNXFWECK-STQMWFEESA-N 0 3 239.359 3.300 20 0 BGADHN CCOC[C@@H](N[C@@H](C)c1ccc(C)o1)C(C)C ZINC000189348651 385148062 /nfs/dbraw/zinc/14/80/62/385148062.db2.gz AINYZJQNXFWECK-QWHCGFSZSA-N 0 3 239.359 3.300 20 0 BGADHN CCOC[C@H](N[C@H](C)c1ccc(C)o1)C(C)C ZINC000189348675 385147470 /nfs/dbraw/zinc/14/74/70/385147470.db2.gz AINYZJQNXFWECK-OLZOCXBDSA-N 0 3 239.359 3.300 20 0 BGADHN CCOC[C@@H](N[C@H](C)c1ccc(C)o1)C(C)C ZINC000189348693 385146616 /nfs/dbraw/zinc/14/66/16/385146616.db2.gz AINYZJQNXFWECK-CHWSQXEVSA-N 0 3 239.359 3.300 20 0 BGADHN CC(C)C[C@@H]1CCN(Cc2ccc(F)nc2)C1 ZINC000189350048 634179028 /nfs/dbraw/zinc/17/90/28/634179028.db2.gz DZXVRLOGGDZRNU-LBPRGKRZSA-N 0 3 236.334 3.089 20 0 BGADHN CC(C)C[C@H]1CCN(Cc2ccc(F)nc2)C1 ZINC000189350071 641805093 /nfs/dbraw/zinc/80/50/93/641805093.db2.gz DZXVRLOGGDZRNU-GFCCVEGCSA-N 0 3 236.334 3.089 20 0 BGADHN CCOC[C@H](N[C@@H](C)c1ccsc1)C(C)C ZINC000189350203 385147903 /nfs/dbraw/zinc/14/79/03/385147903.db2.gz IQILYUJVXCJMBV-AAEUAGOBSA-N 0 3 241.400 3.460 20 0 BGADHN CCOC[C@@H](N[C@@H](C)c1ccsc1)C(C)C ZINC000189350223 385146986 /nfs/dbraw/zinc/14/69/86/385146986.db2.gz IQILYUJVXCJMBV-WCQYABFASA-N 0 3 241.400 3.460 20 0 BGADHN CCOC[C@H](N[C@H](C)c1ccsc1)C(C)C ZINC000189350247 385146631 /nfs/dbraw/zinc/14/66/31/385146631.db2.gz IQILYUJVXCJMBV-YPMHNXCESA-N 0 3 241.400 3.460 20 0 BGADHN CCOC[C@@H](N[C@H](C)c1ccsc1)C(C)C ZINC000189350273 385146555 /nfs/dbraw/zinc/14/65/55/385146555.db2.gz IQILYUJVXCJMBV-DGCLKSJQSA-N 0 3 241.400 3.460 20 0 BGADHN CC[C@@H]1CCCN(Cc2ccc(F)nc2)CC1 ZINC000189375621 634179828 /nfs/dbraw/zinc/17/98/28/634179828.db2.gz ONMNROSUKFHRNI-GFCCVEGCSA-N 0 3 236.334 3.233 20 0 BGADHN CC[C@H]1CCCN(Cc2ccc(F)nc2)CC1 ZINC000189375643 641805331 /nfs/dbraw/zinc/80/53/31/641805331.db2.gz ONMNROSUKFHRNI-LBPRGKRZSA-N 0 3 236.334 3.233 20 0 BGADHN Cc1cccc2c1OCC[C@H]2NC1CC(C)C1 ZINC000189378582 357635332 /nfs/dbraw/zinc/63/53/32/357635332.db2.gz BQCMWGDEPKEBQB-MMWSSPAHSA-N 0 3 231.339 3.207 20 0 BGADHN CC1(C)CCCN(Cc2ccc(F)nc2)CC1 ZINC000189393394 641805739 /nfs/dbraw/zinc/80/57/39/641805739.db2.gz ODDHKEVHVWULNG-UHFFFAOYSA-N 0 3 236.334 3.233 20 0 BGADHN Fc1ccc(CN2CCC3(C2)CCCCC3)cn1 ZINC000189394555 357636047 /nfs/dbraw/zinc/63/60/47/357636047.db2.gz RRKBBYWQOKZJFP-UHFFFAOYSA-N 0 3 248.345 3.377 20 0 BGADHN CCC[C@@H]1CCCN(Cc2ccc(F)nc2)C1 ZINC000189404188 634180228 /nfs/dbraw/zinc/18/02/28/634180228.db2.gz GNUXBERXCXHUGQ-GFCCVEGCSA-N 0 3 236.334 3.233 20 0 BGADHN CCC[C@H]1CCCN(Cc2ccc(F)nc2)C1 ZINC000189404208 634180575 /nfs/dbraw/zinc/18/05/75/634180575.db2.gz GNUXBERXCXHUGQ-LBPRGKRZSA-N 0 3 236.334 3.233 20 0 BGADHN CC(C)C(C)(C)CNCc1cn2ccccc2n1 ZINC000189466565 386011371 /nfs/dbraw/zinc/01/13/71/386011371.db2.gz JBAMSIZQNSCYNM-UHFFFAOYSA-N 0 3 245.370 3.106 20 0 BGADHN Cc1cccc2c1OCC[C@@H]2NC1CC(C)C1 ZINC000189467920 357637654 /nfs/dbraw/zinc/63/76/54/357637654.db2.gz BQCMWGDEPKEBQB-OVGLSYRBSA-N 0 3 231.339 3.207 20 0 BGADHN Cc1csc(CNCC(C)(C)C(C)C)n1 ZINC000189468537 386010877 /nfs/dbraw/zinc/01/08/77/386010877.db2.gz YYYJHDWSFNOQEB-UHFFFAOYSA-N 0 3 226.389 3.223 20 0 BGADHN Cc1nc(CNCC(C)(C)C(C)C)cs1 ZINC000189469017 386013797 /nfs/dbraw/zinc/01/37/97/386013797.db2.gz VZCSJDWJDUYBHM-UHFFFAOYSA-N 0 3 226.389 3.223 20 0 BGADHN Cc1noc(C)c1CNCC(C)(C)C(C)C ZINC000189472746 386013529 /nfs/dbraw/zinc/01/35/29/386013529.db2.gz XLLDUCFNJRMGRF-UHFFFAOYSA-N 0 3 224.348 3.063 20 0 BGADHN Cc1ccc(CNCC(C)(C)C(C)C)o1 ZINC000189473188 386014686 /nfs/dbraw/zinc/01/46/86/386014686.db2.gz ZMIBVNKFLBXMBN-UHFFFAOYSA-N 0 3 209.333 3.360 20 0 BGADHN CCC[C@]1(C)CCCN(CCOCC(F)F)C1 ZINC000189484911 388634789 /nfs/dbraw/zinc/63/47/89/388634789.db2.gz CTCDUTIZQXIPPO-CYBMUJFWSA-N 0 3 249.345 3.170 20 0 BGADHN CCC[C@@]1(C)CCCN(CCOCC(F)F)C1 ZINC000189484928 388635179 /nfs/dbraw/zinc/63/51/79/388635179.db2.gz CTCDUTIZQXIPPO-ZDUSSCGKSA-N 0 3 249.345 3.170 20 0 BGADHN CSCc1cccc(CNCc2cc[nH]c2)c1 ZINC000189489094 385159141 /nfs/dbraw/zinc/15/91/41/385159141.db2.gz VXKNCQLQLYWJRP-UHFFFAOYSA-N 0 3 246.379 3.168 20 0 BGADHN CC(C)OC1CC(N[C@@H]2CCCc3occc32)C1 ZINC000189517728 167175702 /nfs/dbraw/zinc/17/57/02/167175702.db2.gz XAVUDJHSJUFSKG-ORHYLEIMSA-N 0 3 249.354 3.203 20 0 BGADHN CC(C)OC1CC(N[C@H]2CCCc3occc32)C1 ZINC000189517747 167178254 /nfs/dbraw/zinc/17/82/54/167178254.db2.gz XAVUDJHSJUFSKG-YIZWMMSDSA-N 0 3 249.354 3.203 20 0 BGADHN CCC[C@@H]1CCCCN1Cc1cnoc1C ZINC000189530651 386022161 /nfs/dbraw/zinc/02/21/61/386022161.db2.gz OZFQQIAPDZPBMS-CYBMUJFWSA-N 0 3 222.332 3.138 20 0 BGADHN CCC[C@H]1CCCCN1Cc1cnoc1C ZINC000189530672 386022451 /nfs/dbraw/zinc/02/24/51/386022451.db2.gz OZFQQIAPDZPBMS-ZDUSSCGKSA-N 0 3 222.332 3.138 20 0 BGADHN CC(C)C[C@@H]1CCCN(CCOCC(F)F)C1 ZINC000189549101 388637492 /nfs/dbraw/zinc/63/74/92/388637492.db2.gz ZYEZPTCRHXIVPD-LBPRGKRZSA-N 0 3 249.345 3.026 20 0 BGADHN CC(C)C[C@H]1CCCN(CCOCC(F)F)C1 ZINC000189549122 259384690 /nfs/dbraw/zinc/38/46/90/259384690.db2.gz ZYEZPTCRHXIVPD-GFCCVEGCSA-N 0 3 249.345 3.026 20 0 BGADHN CCc1cccc(CN(C)CCSC)c1 ZINC000189563208 388637156 /nfs/dbraw/zinc/63/71/56/388637156.db2.gz HMPKWPMDCBMMCM-UHFFFAOYSA-N 0 3 223.385 3.044 20 0 BGADHN CCC[C@@H](C)CN[C@@H](C)c1ccncc1OC ZINC000189565585 205872174 /nfs/dbraw/zinc/87/21/74/205872174.db2.gz QLNYCVXGBMSSHP-NEPJUHHUSA-N 0 3 236.359 3.177 20 0 BGADHN CCC[C@H](C)CN[C@@H](C)c1ccncc1OC ZINC000189565608 386025418 /nfs/dbraw/zinc/02/54/18/386025418.db2.gz QLNYCVXGBMSSHP-RYUDHWBXSA-N 0 3 236.359 3.177 20 0 BGADHN CCC[C@@H](C)CN[C@H](C)c1ccncc1OC ZINC000189565628 386024797 /nfs/dbraw/zinc/02/47/97/386024797.db2.gz QLNYCVXGBMSSHP-VXGBXAGGSA-N 0 3 236.359 3.177 20 0 BGADHN CCC[C@H](C)CN[C@H](C)c1ccncc1OC ZINC000189565649 386026182 /nfs/dbraw/zinc/02/61/82/386026182.db2.gz QLNYCVXGBMSSHP-NWDGAFQWSA-N 0 3 236.359 3.177 20 0 BGADHN CCC[C@@H]1CCCCN1Cc1ccc(F)nc1 ZINC000189574971 641811578 /nfs/dbraw/zinc/81/15/78/641811578.db2.gz JCVCEIMLDDSVHT-CYBMUJFWSA-N 0 3 236.334 3.375 20 0 BGADHN CCC[C@H]1CCCCN1Cc1ccc(F)nc1 ZINC000189574994 641812509 /nfs/dbraw/zinc/81/25/09/641812509.db2.gz JCVCEIMLDDSVHT-ZDUSSCGKSA-N 0 3 236.334 3.375 20 0 BGADHN CCC1(CC)CCN(Cc2cnoc2C)CC1 ZINC000189650984 385173701 /nfs/dbraw/zinc/17/37/01/385173701.db2.gz CLESCJXZQRUWBI-UHFFFAOYSA-N 0 3 236.359 3.385 20 0 BGADHN Cc1oncc1CN1CCC(C)(C(C)C)CC1 ZINC000189653524 386056085 /nfs/dbraw/zinc/05/60/85/386056085.db2.gz NQGCUKYJBUQLQI-UHFFFAOYSA-N 0 3 236.359 3.241 20 0 BGADHN Cc1ccc2cc(CN(C)C3CC3)ccc2n1 ZINC000189664169 385176506 /nfs/dbraw/zinc/17/65/06/385176506.db2.gz QQFDZJCDYTVFPB-UHFFFAOYSA-N 0 3 226.323 3.137 20 0 BGADHN C[C@@H](c1ccco1)N(CC[C@@H]1CCCO1)C1CC1 ZINC000189710123 388641462 /nfs/dbraw/zinc/64/14/62/388641462.db2.gz VBQRNANXEMSGAK-JSGCOSHPSA-N 0 3 249.354 3.374 20 0 BGADHN C[C@H](c1ccco1)N(CC[C@@H]1CCCO1)C1CC1 ZINC000189710143 388641478 /nfs/dbraw/zinc/64/14/78/388641478.db2.gz VBQRNANXEMSGAK-OCCSQVGLSA-N 0 3 249.354 3.374 20 0 BGADHN CC1(C)CC[C@H](CNC/C=C/c2ccccc2)O1 ZINC000189716399 388641570 /nfs/dbraw/zinc/64/15/70/388641570.db2.gz XMIMRUBDOSORSX-RZIFZGNASA-N 0 3 245.366 3.247 20 0 BGADHN CC1(C)CC[C@@H](CNC/C=C/c2ccccc2)O1 ZINC000189716418 388641670 /nfs/dbraw/zinc/64/16/70/388641670.db2.gz XMIMRUBDOSORSX-PPYMECGQSA-N 0 3 245.366 3.247 20 0 BGADHN Cc1cncc(CN(C)CC2CCCCC2)c1 ZINC000189753288 386088911 /nfs/dbraw/zinc/08/89/11/386088911.db2.gz RQUQQIGHKHTWAF-UHFFFAOYSA-N 0 3 232.371 3.402 20 0 BGADHN CCN(Cc1ccccc1)Cc1cncc(C)c1 ZINC000189754508 347310417 /nfs/dbraw/zinc/31/04/17/347310417.db2.gz OYDDLIDSOQCURW-UHFFFAOYSA-N 0 3 240.350 3.412 20 0 BGADHN CCCCN(CC)Cc1cncc(C)c1 ZINC000189756263 385183744 /nfs/dbraw/zinc/18/37/44/385183744.db2.gz BWXXHWNOONAKSE-UHFFFAOYSA-N 0 3 206.333 3.012 20 0 BGADHN CC[C@@H]1CCCN(Cc2cncc(C)c2)C1 ZINC000189765831 347310161 /nfs/dbraw/zinc/31/01/61/347310161.db2.gz WESNNKMESZAXGA-CYBMUJFWSA-N 0 3 218.344 3.012 20 0 BGADHN CC[C@H]1CCCN(Cc2cncc(C)c2)C1 ZINC000189765846 385184664 /nfs/dbraw/zinc/18/46/64/385184664.db2.gz WESNNKMESZAXGA-ZDUSSCGKSA-N 0 3 218.344 3.012 20 0 BGADHN CCCCN1CCC[C@@H]1c1csc(C)n1 ZINC000189766171 385182624 /nfs/dbraw/zinc/18/26/24/385182624.db2.gz JAOJZRTYVXRRDQ-GFCCVEGCSA-N 0 3 224.373 3.389 20 0 BGADHN CCCCN1CCC[C@H]1c1csc(C)n1 ZINC000189766189 385183008 /nfs/dbraw/zinc/18/30/08/385183008.db2.gz JAOJZRTYVXRRDQ-LBPRGKRZSA-N 0 3 224.373 3.389 20 0 BGADHN Cc1cncc(CN(CC(C)C)C2CC2)c1 ZINC000189782580 385185330 /nfs/dbraw/zinc/18/53/30/385185330.db2.gz LNTJOEGZXAFWQN-UHFFFAOYSA-N 0 3 218.344 3.010 20 0 BGADHN Cc1cncc(CN(CCC(C)C)C2CC2)c1 ZINC000189787753 538984991 /nfs/dbraw/zinc/98/49/91/538984991.db2.gz YVNPELLPNJVPTG-UHFFFAOYSA-N 0 3 232.371 3.401 20 0 BGADHN Cc1cncc(CN(C)CCc2ccccc2)c1 ZINC000189791779 385184344 /nfs/dbraw/zinc/18/43/44/385184344.db2.gz UTOSVOYVPVIXGA-UHFFFAOYSA-N 0 3 240.350 3.065 20 0 BGADHN COC[C@@H](C)CN([C@@H](C)c1ccco1)C1CC1 ZINC000189795478 353574120 /nfs/dbraw/zinc/57/41/20/353574120.db2.gz GLROIVPOELVSCN-RYUDHWBXSA-N 0 3 237.343 3.088 20 0 BGADHN COC[C@H](C)CN([C@@H](C)c1ccco1)C1CC1 ZINC000189795497 353573926 /nfs/dbraw/zinc/57/39/26/353573926.db2.gz GLROIVPOELVSCN-NEPJUHHUSA-N 0 3 237.343 3.088 20 0 BGADHN CCN1CCC(c2nc3cccc(C)c3o2)CC1 ZINC000189802090 357672150 /nfs/dbraw/zinc/67/21/50/357672150.db2.gz MQGUYRQQPGQMJV-UHFFFAOYSA-N 0 3 244.338 3.336 20 0 BGADHN CCc1cccc(CN[C@@H](C)c2ccncc2)c1 ZINC000189817719 538985107 /nfs/dbraw/zinc/98/51/07/538985107.db2.gz GNOHUHQTMCSXCV-ZDUSSCGKSA-N 0 3 240.350 3.495 20 0 BGADHN CCc1cccc(CN[C@H](C)c2ccncc2)c1 ZINC000189817741 538985414 /nfs/dbraw/zinc/98/54/14/538985414.db2.gz GNOHUHQTMCSXCV-CYBMUJFWSA-N 0 3 240.350 3.495 20 0 BGADHN Cc1nc([C@@H]2CCCN2CC(C)C)cs1 ZINC000189818241 357673031 /nfs/dbraw/zinc/67/30/31/357673031.db2.gz PURGLJFCZSPXRL-LBPRGKRZSA-N 0 3 224.373 3.244 20 0 BGADHN Cc1nc([C@H]2CCCN2CC(C)C)cs1 ZINC000189818260 357673461 /nfs/dbraw/zinc/67/34/61/357673461.db2.gz PURGLJFCZSPXRL-GFCCVEGCSA-N 0 3 224.373 3.244 20 0 BGADHN CCc1cccc(CN[C@@H](C)c2cccnc2)c1 ZINC000189820236 385187763 /nfs/dbraw/zinc/18/77/63/385187763.db2.gz KSCQYZUPQTUBJS-ZDUSSCGKSA-N 0 3 240.350 3.495 20 0 BGADHN CCc1cccc(CN[C@H](C)c2cccnc2)c1 ZINC000189820250 385186662 /nfs/dbraw/zinc/18/66/62/385186662.db2.gz KSCQYZUPQTUBJS-CYBMUJFWSA-N 0 3 240.350 3.495 20 0 BGADHN Cc1cncc(CN(C)CC2CCCC2)c1 ZINC000189823700 385187360 /nfs/dbraw/zinc/18/73/60/385187360.db2.gz MQGOOYYYTHCIBQ-UHFFFAOYSA-N 0 3 218.344 3.012 20 0 BGADHN CN(C)CCSCc1ccc(Cl)c(F)c1 ZINC000189855666 386107984 /nfs/dbraw/zinc/10/79/84/386107984.db2.gz NMAAZKLRIOZBOZ-UHFFFAOYSA-N 0 3 247.766 3.274 20 0 BGADHN Cc1cncc(CN2CCC[C@H]3CCC[C@@H]32)c1 ZINC000189900936 386113210 /nfs/dbraw/zinc/11/32/10/386113210.db2.gz CQMCMGOCEMEPGM-CABCVRRESA-N 0 3 230.355 3.155 20 0 BGADHN Cc1cncc(CN2CCC[C@@H]3CCC[C@@H]32)c1 ZINC000189900954 386113680 /nfs/dbraw/zinc/11/36/80/386113680.db2.gz CQMCMGOCEMEPGM-GJZGRUSLSA-N 0 3 230.355 3.155 20 0 BGADHN Cc1cncc(CN2CCC(C(C)C)CC2)c1 ZINC000189901231 386115662 /nfs/dbraw/zinc/11/56/62/386115662.db2.gz RDZDJQGTSDEHKL-UHFFFAOYSA-N 0 3 232.371 3.258 20 0 BGADHN Cc1cncc(CN(C)CCc2cccs2)c1 ZINC000189905248 385195587 /nfs/dbraw/zinc/19/55/87/385195587.db2.gz DWNVPCBMYCUECM-UHFFFAOYSA-N 0 3 246.379 3.126 20 0 BGADHN CC[C@]1(C)CCCN(Cc2cncc(C)c2)C1 ZINC000189907155 386114069 /nfs/dbraw/zinc/11/40/69/386114069.db2.gz PESYDZHPPUCERY-OAHLLOKOSA-N 0 3 232.371 3.402 20 0 BGADHN CC[C@@]1(C)CCCN(Cc2cncc(C)c2)C1 ZINC000189907172 386114608 /nfs/dbraw/zinc/11/46/08/386114608.db2.gz PESYDZHPPUCERY-HNNXBMFYSA-N 0 3 232.371 3.402 20 0 BGADHN Cc1cncc(CN2CCC3(CCCC3)C2)c1 ZINC000189907325 357675671 /nfs/dbraw/zinc/67/56/71/357675671.db2.gz JUCAGNYZVGRGNZ-UHFFFAOYSA-N 0 3 230.355 3.156 20 0 BGADHN Cc1cncc(CN(C)[C@@H](C)C2(C)CC2)c1 ZINC000189919843 385195538 /nfs/dbraw/zinc/19/55/38/385195538.db2.gz RTRAVBHGIKKYFP-LBPRGKRZSA-N 0 3 218.344 3.010 20 0 BGADHN Cc1cncc(CN(C)[C@H](C)C2(C)CC2)c1 ZINC000189919867 385196060 /nfs/dbraw/zinc/19/60/60/385196060.db2.gz RTRAVBHGIKKYFP-GFCCVEGCSA-N 0 3 218.344 3.010 20 0 BGADHN CCC[C@@H]1CCCN(Cc2cncc(C)c2)C1 ZINC000189922018 386131174 /nfs/dbraw/zinc/13/11/74/386131174.db2.gz OAQVIGSIVVTOTM-CQSZACIVSA-N 0 3 232.371 3.402 20 0 BGADHN CCC[C@H]1CCCN(Cc2cncc(C)c2)C1 ZINC000189922032 386131144 /nfs/dbraw/zinc/13/11/44/386131144.db2.gz OAQVIGSIVVTOTM-AWEZNQCLSA-N 0 3 232.371 3.402 20 0 BGADHN CC[C@H](NCCOCC(F)F)c1cccs1 ZINC000189927327 386130806 /nfs/dbraw/zinc/13/08/06/386130806.db2.gz RLOBTZDGMWDGBO-VIFPVBQESA-N 0 3 249.326 3.071 20 0 BGADHN CC[C@@H](NCCOCC(F)F)c1cccs1 ZINC000189927337 205883570 /nfs/dbraw/zinc/88/35/70/205883570.db2.gz RLOBTZDGMWDGBO-SECBINFHSA-N 0 3 249.326 3.071 20 0 BGADHN CCn1nccc1CN1CCC(C)(C(C)C)CC1 ZINC000189948463 386125697 /nfs/dbraw/zinc/12/56/97/386125697.db2.gz ZOMHZLQTGKRGLS-UHFFFAOYSA-N 0 3 249.402 3.161 20 0 BGADHN CCn1cc(CN2CCC(C)(C(C)C)CC2)cn1 ZINC000189948566 386125119 /nfs/dbraw/zinc/12/51/19/386125119.db2.gz RNSNWKDOLNIDBP-UHFFFAOYSA-N 0 3 249.402 3.161 20 0 BGADHN CC(C)C1(C)CCN(Cc2cncs2)CC1 ZINC000189949261 386123034 /nfs/dbraw/zinc/12/30/34/386123034.db2.gz SFVAPWGTCCYKMB-UHFFFAOYSA-N 0 3 238.400 3.401 20 0 BGADHN CCC(C)(C)CN[C@@H](C)c1nccs1 ZINC000189993545 168282344 /nfs/dbraw/zinc/28/23/44/168282344.db2.gz XSTYDPVTIWMZEE-VIFPVBQESA-N 0 3 212.362 3.230 20 0 BGADHN CCC(C)(C)CN[C@H](C)c1nccs1 ZINC000189993566 168282191 /nfs/dbraw/zinc/28/21/91/168282191.db2.gz XSTYDPVTIWMZEE-SECBINFHSA-N 0 3 212.362 3.230 20 0 BGADHN CCC(C)(C)CN[C@@H](C)c1ccccn1 ZINC000189993703 168282006 /nfs/dbraw/zinc/28/20/06/168282006.db2.gz AHQFGBPQNYYDKF-NSHDSACASA-N 0 3 206.333 3.168 20 0 BGADHN CCC(C)(C)CN[C@H](C)c1ccccn1 ZINC000189993723 168281583 /nfs/dbraw/zinc/28/15/83/168281583.db2.gz AHQFGBPQNYYDKF-LLVKDONJSA-N 0 3 206.333 3.168 20 0 BGADHN CCC(C)(C)CNCc1cccc(OC)c1F ZINC000189995864 487692446 /nfs/dbraw/zinc/69/24/46/487692446.db2.gz ULPQEUSWEKUFDE-UHFFFAOYSA-N 0 3 239.334 3.360 20 0 BGADHN C/C=C(\CC)C(=O)Nc1cccc(CN(C)C)c1 ZINC000190102792 385210736 /nfs/dbraw/zinc/21/07/36/385210736.db2.gz KBWKANIAACOKPB-WLRTZDKTSA-N 0 3 246.354 3.043 20 0 BGADHN CCCN1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190157217 388646903 /nfs/dbraw/zinc/64/69/03/388646903.db2.gz ZGTDHWAZCPBXPO-VIFPVBQESA-N 0 3 223.282 3.307 20 0 BGADHN CCCN1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000190157237 259563136 /nfs/dbraw/zinc/56/31/36/259563136.db2.gz ZGTDHWAZCPBXPO-SECBINFHSA-N 0 3 223.282 3.307 20 0 BGADHN CCC(=O)CCN(Cc1ccc(F)cc1)C1CC1 ZINC000190163000 168201207 /nfs/dbraw/zinc/20/12/07/168201207.db2.gz BYDPRHUYSJNTSW-UHFFFAOYSA-N 0 3 249.329 3.159 20 0 BGADHN CCC(=O)CCN(C)[C@@H](C)c1ccc(F)cc1 ZINC000190163268 168200309 /nfs/dbraw/zinc/20/03/09/168200309.db2.gz APTWLGWARHXVSL-NSHDSACASA-N 0 3 237.318 3.188 20 0 BGADHN CCC(=O)CCN(C)[C@H](C)c1ccc(F)cc1 ZINC000190163288 168199734 /nfs/dbraw/zinc/19/97/34/168199734.db2.gz APTWLGWARHXVSL-LLVKDONJSA-N 0 3 237.318 3.188 20 0 BGADHN CCC(=O)CCN(C)[C@@H](C)c1ccc(OC)cc1 ZINC000190165059 168200013 /nfs/dbraw/zinc/20/00/13/168200013.db2.gz QZTVZRPFLHCWOP-LBPRGKRZSA-N 0 3 249.354 3.057 20 0 BGADHN CCC(=O)CCN(C)[C@H](C)c1ccc(OC)cc1 ZINC000190165077 168201116 /nfs/dbraw/zinc/20/11/16/168201116.db2.gz QZTVZRPFLHCWOP-GFCCVEGCSA-N 0 3 249.354 3.057 20 0 BGADHN CCC(=O)CCN1CCC[C@@H]1c1cccs1 ZINC000190166682 168202952 /nfs/dbraw/zinc/20/29/52/168202952.db2.gz JOYUPYCDDZQDSD-GFCCVEGCSA-N 0 3 237.368 3.254 20 0 BGADHN CCC(=O)CCN1CCC[C@H]1c1cccs1 ZINC000190166702 168202647 /nfs/dbraw/zinc/20/26/47/168202647.db2.gz JOYUPYCDDZQDSD-LBPRGKRZSA-N 0 3 237.368 3.254 20 0 BGADHN CCC(=O)CCN(Cc1ccccc1)C1CC1 ZINC000190173065 168200765 /nfs/dbraw/zinc/20/07/65/168200765.db2.gz OTIQLWPVOMINBP-UHFFFAOYSA-N 0 3 231.339 3.020 20 0 BGADHN CCC(=O)CCN1CCC(c2ccccc2)CC1 ZINC000190173150 357691144 /nfs/dbraw/zinc/69/11/44/357691144.db2.gz AWDQPBMPPNOXAK-UHFFFAOYSA-N 0 3 245.366 3.235 20 0 BGADHN CCC(=O)CCN(C)[C@@H](C)c1ccccc1 ZINC000190173929 168201476 /nfs/dbraw/zinc/20/14/76/168201476.db2.gz QKBKMARVSYBCQA-LBPRGKRZSA-N 0 3 219.328 3.049 20 0 BGADHN CCC(=O)CCN(C)[C@H](C)c1ccccc1 ZINC000190173948 168200345 /nfs/dbraw/zinc/20/03/45/168200345.db2.gz QKBKMARVSYBCQA-GFCCVEGCSA-N 0 3 219.328 3.049 20 0 BGADHN CCC(=O)CCN(C)Cc1ccc(Cl)cc1 ZINC000190182307 168201159 /nfs/dbraw/zinc/20/11/59/168201159.db2.gz RCBIVHDSODSUFN-UHFFFAOYSA-N 0 3 239.746 3.141 20 0 BGADHN CCC(=O)CCN1CC=C(c2ccccc2)CC1 ZINC000190184381 357690552 /nfs/dbraw/zinc/69/05/52/357690552.db2.gz KPGNMZSCICRNHY-UHFFFAOYSA-N 0 3 243.350 3.145 20 0 BGADHN CC1(C)CN(CCCF)CC[C@@H]1C(F)(F)F ZINC000190189053 357691211 /nfs/dbraw/zinc/69/12/11/357691211.db2.gz GBAKFIUBWIWHNW-VIFPVBQESA-N 0 3 241.272 3.256 20 0 BGADHN CC1(C)CN(CCCF)CC[C@H]1C(F)(F)F ZINC000190189073 357690589 /nfs/dbraw/zinc/69/05/89/357690589.db2.gz GBAKFIUBWIWHNW-SECBINFHSA-N 0 3 241.272 3.256 20 0 BGADHN CCC(=O)CCN(C)[C@@H](C)c1ccc(C)cc1 ZINC000190189491 168201142 /nfs/dbraw/zinc/20/11/42/168201142.db2.gz GPJYOVUGTBIOQV-ZDUSSCGKSA-N 0 3 233.355 3.357 20 0 BGADHN CCC(=O)CCN(C)[C@H](C)c1ccc(C)cc1 ZINC000190189508 168199802 /nfs/dbraw/zinc/19/98/02/168199802.db2.gz GPJYOVUGTBIOQV-CYBMUJFWSA-N 0 3 233.355 3.357 20 0 BGADHN CCC(=O)CCN(C)[C@@H](C)c1cccs1 ZINC000190190798 168201356 /nfs/dbraw/zinc/20/13/56/168201356.db2.gz DDDMMOZXZBNACX-JTQLQIEISA-N 0 3 225.357 3.110 20 0 BGADHN CCC(=O)CCN(C)[C@H](C)c1cccs1 ZINC000190190817 168200829 /nfs/dbraw/zinc/20/08/29/168200829.db2.gz DDDMMOZXZBNACX-SNVBAGLBSA-N 0 3 225.357 3.110 20 0 BGADHN CCC(=O)CCN(Cc1ccco1)C1CCCC1 ZINC000190192248 168200305 /nfs/dbraw/zinc/20/03/05/168200305.db2.gz ZOLHBZAVSIYULQ-UHFFFAOYSA-N 0 3 249.354 3.393 20 0 BGADHN CCC(=O)CCN1CCC[C@@H]1c1cccc(F)c1 ZINC000190195273 168203678 /nfs/dbraw/zinc/20/36/78/168203678.db2.gz ZSRKEGCCKMWHPX-OAHLLOKOSA-N 0 3 249.329 3.332 20 0 BGADHN CCC(=O)CCN1CCC[C@H]1c1cccc(F)c1 ZINC000190195296 168203435 /nfs/dbraw/zinc/20/34/35/168203435.db2.gz ZSRKEGCCKMWHPX-HNNXBMFYSA-N 0 3 249.329 3.332 20 0 BGADHN CCC(=O)CCN1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000190259673 168203069 /nfs/dbraw/zinc/20/30/69/168203069.db2.gz SPMDYRANJBUAFU-GXTWGEPZSA-N 0 3 249.354 3.422 20 0 BGADHN CCC(=O)CCN1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000190259695 168203388 /nfs/dbraw/zinc/20/33/88/168203388.db2.gz SPMDYRANJBUAFU-TZMCWYRMSA-N 0 3 249.354 3.422 20 0 BGADHN CCC(=O)CCN1C[C@H](C)[C@@H]1c1ccccc1 ZINC000190265420 168205415 /nfs/dbraw/zinc/20/54/15/168205415.db2.gz NUXCTPQBYRXYKI-SWLSCSKDSA-N 0 3 231.339 3.049 20 0 BGADHN CCC(=O)CCN1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000190265441 168204545 /nfs/dbraw/zinc/20/45/45/168204545.db2.gz NUXCTPQBYRXYKI-IUODEOHRSA-N 0 3 231.339 3.049 20 0 BGADHN CCC(=O)CCN(CC)[C@@H](C)c1cccc(O)c1 ZINC000190267076 168201406 /nfs/dbraw/zinc/20/14/06/168201406.db2.gz JDWCPYFFFGMODY-LBPRGKRZSA-N 0 3 249.354 3.144 20 0 BGADHN CCC(=O)CCN(CC)[C@H](C)c1cccc(O)c1 ZINC000190267099 168201491 /nfs/dbraw/zinc/20/14/91/168201491.db2.gz JDWCPYFFFGMODY-GFCCVEGCSA-N 0 3 249.354 3.144 20 0 BGADHN CCN(Cc1ccccc1)C[C@@H]1CC[C@H](C)O1 ZINC000190301658 357698723 /nfs/dbraw/zinc/69/87/23/357698723.db2.gz YJKOOKKQCPBOOA-ZFWWWQNUSA-N 0 3 233.355 3.076 20 0 BGADHN CCN(Cc1ccccc1)C[C@H]1CC[C@H](C)O1 ZINC000190301680 357698976 /nfs/dbraw/zinc/69/89/76/357698976.db2.gz YJKOOKKQCPBOOA-DZGCQCFKSA-N 0 3 233.355 3.076 20 0 BGADHN CCC(=O)CCN(C)CC1(c2ccccc2)CC1 ZINC000190344767 168199768 /nfs/dbraw/zinc/19/97/68/168199768.db2.gz DHIZFDBDHNAXHA-UHFFFAOYSA-N 0 3 245.366 3.019 20 0 BGADHN c1c[nH]c(CNC2CCC3(CCCCC3)CC2)n1 ZINC000190378564 388649153 /nfs/dbraw/zinc/64/91/53/388649153.db2.gz AIAIHBNLPLOING-UHFFFAOYSA-N 0 3 247.386 3.392 20 0 BGADHN C[C@H]1CSCCN(Cc2ccc(F)cc2)C1 ZINC000190395303 177304034 /nfs/dbraw/zinc/30/40/34/177304034.db2.gz GLKUOGPQAVWSCR-LLVKDONJSA-N 0 3 239.359 3.011 20 0 BGADHN C[C@@H]1CSCCN(Cc2ccc(F)cc2)C1 ZINC000190395324 176350510 /nfs/dbraw/zinc/35/05/10/176350510.db2.gz GLKUOGPQAVWSCR-NSHDSACASA-N 0 3 239.359 3.011 20 0 BGADHN CCC1(CC)CCCN(Cc2nccn2C)CC1 ZINC000190409559 388651231 /nfs/dbraw/zinc/65/12/31/388651231.db2.gz VSQAUZGEIRKURP-UHFFFAOYSA-N 0 3 249.402 3.212 20 0 BGADHN CCC1(CC)CCCN(Cc2ccnn2C)CC1 ZINC000190409878 388650153 /nfs/dbraw/zinc/65/01/53/388650153.db2.gz NIENAFSHAKIVJW-UHFFFAOYSA-N 0 3 249.402 3.212 20 0 BGADHN CCC1(CC)CCCN(Cc2cncn2C)CC1 ZINC000190415644 388650933 /nfs/dbraw/zinc/65/09/33/388650933.db2.gz ZVOSWQCBYKTFDN-UHFFFAOYSA-N 0 3 249.402 3.212 20 0 BGADHN C[C@H]1CSCCN(Cc2ccccc2F)C1 ZINC000190420282 177304071 /nfs/dbraw/zinc/30/40/71/177304071.db2.gz JVLVOCIIPYCVOY-LLVKDONJSA-N 0 3 239.359 3.011 20 0 BGADHN C[C@@H]1CSCCN(Cc2ccccc2F)C1 ZINC000190420307 176350317 /nfs/dbraw/zinc/35/03/17/176350317.db2.gz JVLVOCIIPYCVOY-NSHDSACASA-N 0 3 239.359 3.011 20 0 BGADHN C[C@H]1CSCCN(Cc2cccc(F)c2)C1 ZINC000190441019 388650218 /nfs/dbraw/zinc/65/02/18/388650218.db2.gz DCCQNOWEHYLHSZ-LLVKDONJSA-N 0 3 239.359 3.011 20 0 BGADHN C[C@@H]1CSCCN(Cc2cccc(F)c2)C1 ZINC000190441041 388650512 /nfs/dbraw/zinc/65/05/12/388650512.db2.gz DCCQNOWEHYLHSZ-NSHDSACASA-N 0 3 239.359 3.011 20 0 BGADHN CCOCCN(CC)Cc1c[nH]c2ccccc12 ZINC000190499212 386183210 /nfs/dbraw/zinc/18/32/10/386183210.db2.gz WQKJZDOHIUHRLB-UHFFFAOYSA-N 0 3 246.354 3.026 20 0 BGADHN C[C@@H]1CC[C@H](CN2CCc3ccccc3[C@@H]2C)O1 ZINC000190531117 385248077 /nfs/dbraw/zinc/24/80/77/385248077.db2.gz KSOFLPLCXVUNOL-VNHYZAJKSA-N 0 3 245.366 3.173 20 0 BGADHN C[C@H]1CC[C@H](CN2CCc3ccccc3[C@@H]2C)O1 ZINC000190531133 177202237 /nfs/dbraw/zinc/20/22/37/177202237.db2.gz KSOFLPLCXVUNOL-KCQAQPDRSA-N 0 3 245.366 3.173 20 0 BGADHN C[C@@H]1CC[C@@H](CN2CCc3ccccc3[C@@H]2C)O1 ZINC000190531150 385248951 /nfs/dbraw/zinc/24/89/51/385248951.db2.gz KSOFLPLCXVUNOL-IPYPFGDCSA-N 0 3 245.366 3.173 20 0 BGADHN C[C@H]1CC[C@@H](CN2CCc3ccccc3[C@@H]2C)O1 ZINC000190531170 177189791 /nfs/dbraw/zinc/18/97/91/177189791.db2.gz KSOFLPLCXVUNOL-YDHLFZDLSA-N 0 3 245.366 3.173 20 0 BGADHN C[C@@H]1CC[C@H](CN2Cc3ccccc3C[C@@H]2C)O1 ZINC000190600576 357712197 /nfs/dbraw/zinc/71/21/97/357712197.db2.gz ZTTWTFCBVBFMSK-WOSRLPQWSA-N 0 3 245.366 3.001 20 0 BGADHN C[C@H]1CC[C@H](CN2Cc3ccccc3C[C@@H]2C)O1 ZINC000190600594 357712142 /nfs/dbraw/zinc/71/21/42/357712142.db2.gz ZTTWTFCBVBFMSK-HEHGZKQESA-N 0 3 245.366 3.001 20 0 BGADHN C[C@@H]1CC[C@@H](CN2Cc3ccccc3C[C@@H]2C)O1 ZINC000190600613 357711855 /nfs/dbraw/zinc/71/18/55/357711855.db2.gz ZTTWTFCBVBFMSK-ZENOOKHLSA-N 0 3 245.366 3.001 20 0 BGADHN C[C@H]1CC[C@@H](CN2Cc3ccccc3C[C@@H]2C)O1 ZINC000190600631 357712189 /nfs/dbraw/zinc/71/21/89/357712189.db2.gz ZTTWTFCBVBFMSK-XEZPLFJOSA-N 0 3 245.366 3.001 20 0 BGADHN CCC(CC)NCc1nccn1-c1ccccc1 ZINC000190671860 168390383 /nfs/dbraw/zinc/39/03/83/168390383.db2.gz WPNIPUIBYCKGJY-UHFFFAOYSA-N 0 3 243.354 3.151 20 0 BGADHN CC(C)CCNCc1nccn1-c1ccccc1 ZINC000190673244 385253726 /nfs/dbraw/zinc/25/37/26/385253726.db2.gz HCCZYXHMNSCFEV-UHFFFAOYSA-N 0 3 243.354 3.008 20 0 BGADHN CCCCCNCc1nccn1-c1ccccc1 ZINC000190674243 357721647 /nfs/dbraw/zinc/72/16/47/357721647.db2.gz UTRUEKGTSCKOLA-UHFFFAOYSA-N 0 3 243.354 3.152 20 0 BGADHN C[C@@H]1CCN(Cc2ccsc2)CCS1 ZINC000190689793 176178121 /nfs/dbraw/zinc/17/81/21/176178121.db2.gz XFKWMUDIPGYRAO-SNVBAGLBSA-N 0 3 227.398 3.076 20 0 BGADHN C[C@H]1CCN(Cc2ccsc2)CCS1 ZINC000190689807 177166780 /nfs/dbraw/zinc/16/67/80/177166780.db2.gz XFKWMUDIPGYRAO-JTQLQIEISA-N 0 3 227.398 3.076 20 0 BGADHN CCc1ccc(CN2CCS[C@@H](C)CC2)o1 ZINC000190695039 386550120 /nfs/dbraw/zinc/55/01/20/386550120.db2.gz XPXZBGWDXCLISX-NSHDSACASA-N 0 3 239.384 3.169 20 0 BGADHN CCc1ccc(CN2CCS[C@H](C)CC2)o1 ZINC000190695059 385257011 /nfs/dbraw/zinc/25/70/11/385257011.db2.gz XPXZBGWDXCLISX-LLVKDONJSA-N 0 3 239.384 3.169 20 0 BGADHN c1cc(OCC2CC2)ccc1CN1CCCC1 ZINC000190714733 357718197 /nfs/dbraw/zinc/71/81/97/357718197.db2.gz HPLIRFXFPNFXMF-UHFFFAOYSA-N 0 3 231.339 3.071 20 0 BGADHN COc1cccc(CNCCCC2CCCC2)n1 ZINC000190720177 386579051 /nfs/dbraw/zinc/57/90/51/386579051.db2.gz UIRXVYGHIQEPML-UHFFFAOYSA-N 0 3 248.370 3.150 20 0 BGADHN CC(C)=CCN[C@@H]1CCc2ccc(F)cc21 ZINC000190722327 538990427 /nfs/dbraw/zinc/99/04/27/538990427.db2.gz LXMCQPYAWWJNOC-CQSZACIVSA-N 0 3 219.303 3.369 20 0 BGADHN CC(C)=CCN[C@H]1CCc2ccc(F)cc21 ZINC000190722342 541417361 /nfs/dbraw/zinc/41/73/61/541417361.db2.gz LXMCQPYAWWJNOC-AWEZNQCLSA-N 0 3 219.303 3.369 20 0 BGADHN CCc1ccc(CN2CCSC[C@H](C)C2)o1 ZINC000190845666 388657698 /nfs/dbraw/zinc/65/76/98/388657698.db2.gz XQTQBKJCWFAXKV-LLVKDONJSA-N 0 3 239.384 3.027 20 0 BGADHN CCc1ccc(CN2CCSC[C@@H](C)C2)o1 ZINC000190845681 388658007 /nfs/dbraw/zinc/65/80/07/388658007.db2.gz XQTQBKJCWFAXKV-NSHDSACASA-N 0 3 239.384 3.027 20 0 BGADHN C[C@H]1CSCCN(C/C=C/c2ccccc2)C1 ZINC000190848099 388657981 /nfs/dbraw/zinc/65/79/81/388657981.db2.gz WQEZGWSMWBFRTN-LHRNQBEKSA-N 0 3 247.407 3.385 20 0 BGADHN C[C@@H]1CSCCN(C/C=C/c2ccccc2)C1 ZINC000190848111 388658104 /nfs/dbraw/zinc/65/81/04/388658104.db2.gz WQEZGWSMWBFRTN-GPAKFWEMSA-N 0 3 247.407 3.385 20 0 BGADHN CC(C)(C)CNCc1nccn1-c1ccccc1 ZINC000190861843 385265775 /nfs/dbraw/zinc/26/57/75/385265775.db2.gz WPPMWLPKQGKVEC-UHFFFAOYSA-N 0 3 243.354 3.008 20 0 BGADHN CCC(C)(C)NCc1nccn1-c1ccccc1 ZINC000190915101 168299368 /nfs/dbraw/zinc/29/93/68/168299368.db2.gz MANISPLUYQEQKQ-UHFFFAOYSA-N 0 3 243.354 3.151 20 0 BGADHN CC[C@H](N[C@@H]1CCCc2occc21)[C@@H]1CCCO1 ZINC000190947467 387304606 /nfs/dbraw/zinc/30/46/06/387304606.db2.gz RXBOTIORCSFMHK-GUTXKFCHSA-N 0 3 249.354 3.204 20 0 BGADHN CC[C@@H](N[C@@H]1CCCc2occc21)[C@@H]1CCCO1 ZINC000190947480 535808397 /nfs/dbraw/zinc/80/83/97/535808397.db2.gz RXBOTIORCSFMHK-NFAWXSAZSA-N 0 3 249.354 3.204 20 0 BGADHN CC[C@H](N[C@@H]1CCCc2occc21)[C@H]1CCCO1 ZINC000190947497 387305505 /nfs/dbraw/zinc/30/55/05/387305505.db2.gz RXBOTIORCSFMHK-GZBFAFLISA-N 0 3 249.354 3.204 20 0 BGADHN CC[C@@H](N[C@@H]1CCCc2occc21)[C@H]1CCCO1 ZINC000190947507 387305008 /nfs/dbraw/zinc/30/50/08/387305008.db2.gz RXBOTIORCSFMHK-UMVBOHGHSA-N 0 3 249.354 3.204 20 0 BGADHN CO[C@@H]1CC[C@H](Nc2ccnc3ccccc32)C1 ZINC000191008626 386196273 /nfs/dbraw/zinc/19/62/73/386196273.db2.gz NHYXMLLUGNKDTC-NWDGAFQWSA-N 0 3 242.322 3.214 20 0 BGADHN CO[C@H]1CC[C@H](Nc2ccnc3ccccc32)C1 ZINC000191008642 386196356 /nfs/dbraw/zinc/19/63/56/386196356.db2.gz NHYXMLLUGNKDTC-RYUDHWBXSA-N 0 3 242.322 3.214 20 0 BGADHN CO[C@@H]1CC[C@@H](Nc2ccnc3ccccc32)C1 ZINC000191008658 386196783 /nfs/dbraw/zinc/19/67/83/386196783.db2.gz NHYXMLLUGNKDTC-VXGBXAGGSA-N 0 3 242.322 3.214 20 0 BGADHN CO[C@H]1CC[C@@H](Nc2ccnc3ccccc32)C1 ZINC000191008674 386196055 /nfs/dbraw/zinc/19/60/55/386196055.db2.gz NHYXMLLUGNKDTC-NEPJUHHUSA-N 0 3 242.322 3.214 20 0 BGADHN Cc1cnc(CNC[C@@H](C)c2ccccc2)s1 ZINC000191098875 385283019 /nfs/dbraw/zinc/28/30/19/385283019.db2.gz KRHUOWHFEYSNFN-LLVKDONJSA-N 0 3 246.379 3.345 20 0 BGADHN Cc1cnc(CNC[C@H](C)c2ccccc2)s1 ZINC000191098892 385283659 /nfs/dbraw/zinc/28/36/59/385283659.db2.gz KRHUOWHFEYSNFN-NSHDSACASA-N 0 3 246.379 3.345 20 0 BGADHN CCOCCCN[C@@H](C)c1csc(Cl)c1 ZINC000191102620 170382350 /nfs/dbraw/zinc/38/23/50/170382350.db2.gz FTNLHBDXFRFJDZ-VIFPVBQESA-N 0 3 247.791 3.479 20 0 BGADHN CCOCCCN[C@H](C)c1csc(Cl)c1 ZINC000191102634 170382985 /nfs/dbraw/zinc/38/29/85/170382985.db2.gz FTNLHBDXFRFJDZ-SECBINFHSA-N 0 3 247.791 3.479 20 0 BGADHN C[C@H](NC1CC1)c1csc(Cl)c1 ZINC000191104026 353426948 /nfs/dbraw/zinc/42/69/48/353426948.db2.gz TWEXCMYYJWRTQE-LURJTMIESA-N 0 3 201.722 3.215 20 0 BGADHN C[C@@H](NC1CC1)c1csc(Cl)c1 ZINC000191104045 385283575 /nfs/dbraw/zinc/28/35/75/385283575.db2.gz TWEXCMYYJWRTQE-ZCFIWIBFSA-N 0 3 201.722 3.215 20 0 BGADHN COCCCN[C@@H](C)c1csc(Cl)c1 ZINC000191107328 174249192 /nfs/dbraw/zinc/24/91/92/174249192.db2.gz XRMGCDCQJAYPQB-QMMMGPOBSA-N 0 3 233.764 3.089 20 0 BGADHN COCCCN[C@H](C)c1csc(Cl)c1 ZINC000191107348 355314075 /nfs/dbraw/zinc/31/40/75/355314075.db2.gz XRMGCDCQJAYPQB-MRVPVSSYSA-N 0 3 233.764 3.089 20 0 BGADHN C[C@H](NC[C@@H]1CCCO1)c1csc(Cl)c1 ZINC000191112811 355316739 /nfs/dbraw/zinc/31/67/39/355316739.db2.gz GZZSLAOSYZPOLQ-WPRPVWTQSA-N 0 3 245.775 3.231 20 0 BGADHN C[C@@H](NC[C@@H]1CCCO1)c1csc(Cl)c1 ZINC000191112827 355316798 /nfs/dbraw/zinc/31/67/98/355316798.db2.gz GZZSLAOSYZPOLQ-SCZZXKLOSA-N 0 3 245.775 3.231 20 0 BGADHN C[C@H](NC[C@H]1CCCO1)c1csc(Cl)c1 ZINC000191112840 355316751 /nfs/dbraw/zinc/31/67/51/355316751.db2.gz GZZSLAOSYZPOLQ-WCBMZHEXSA-N 0 3 245.775 3.231 20 0 BGADHN C[C@@H](NC[C@H]1CCCO1)c1csc(Cl)c1 ZINC000191112853 386754397 /nfs/dbraw/zinc/75/43/97/386754397.db2.gz GZZSLAOSYZPOLQ-PSASIEDQSA-N 0 3 245.775 3.231 20 0 BGADHN C[C@@H](CCNCc1cncnc1)CC(C)(C)C ZINC000191116277 538990790 /nfs/dbraw/zinc/99/07/90/538990790.db2.gz OBVBDGDZJLAXPT-LBPRGKRZSA-N 0 3 235.375 3.029 20 0 BGADHN C[C@H](CCNCc1cncnc1)CC(C)(C)C ZINC000191116292 538990986 /nfs/dbraw/zinc/99/09/86/538990986.db2.gz OBVBDGDZJLAXPT-GFCCVEGCSA-N 0 3 235.375 3.029 20 0 BGADHN Fc1cccc2c1OCC[C@@H]2NC1CCCC1 ZINC000191123140 181007420 /nfs/dbraw/zinc/00/74/20/181007420.db2.gz PSQVEBIYHKKOCO-ZDUSSCGKSA-N 0 3 235.302 3.182 20 0 BGADHN CC(C)(C)CN[C@H]1CCOc2c(F)cccc21 ZINC000191128877 386760932 /nfs/dbraw/zinc/76/09/32/386760932.db2.gz ATVZUZAKWGWFAQ-LBPRGKRZSA-N 0 3 237.318 3.285 20 0 BGADHN CO[C@H](C)CNCc1c(C)cc(Cl)cc1C ZINC000191138576 386765419 /nfs/dbraw/zinc/76/54/19/386765419.db2.gz RCEFEBVYETZRMF-LLVKDONJSA-N 0 3 241.762 3.081 20 0 BGADHN CO[C@@H](C)CNCc1c(C)cc(Cl)cc1C ZINC000191138591 219930205 /nfs/dbraw/zinc/93/02/05/219930205.db2.gz RCEFEBVYETZRMF-NSHDSACASA-N 0 3 241.762 3.081 20 0 BGADHN CO[C@H](C)CNCc1cc2cc(C)c(C)cc2o1 ZINC000191143703 323184870 /nfs/dbraw/zinc/18/48/70/323184870.db2.gz CJMBVKOWPUYRBS-GFCCVEGCSA-N 0 3 247.338 3.174 20 0 BGADHN CO[C@@H](C)CNCc1cc2cc(C)c(C)cc2o1 ZINC000191143720 323184882 /nfs/dbraw/zinc/18/48/82/323184882.db2.gz CJMBVKOWPUYRBS-LBPRGKRZSA-N 0 3 247.338 3.174 20 0 BGADHN CO[C@@H](C)CNCc1ccc(-c2ccccc2)o1 ZINC000191146532 355331660 /nfs/dbraw/zinc/33/16/60/355331660.db2.gz LRGRZDNHPLNVOV-LBPRGKRZSA-N 0 3 245.322 3.071 20 0 BGADHN CO[C@H](C)CNCc1ccc(-c2ccccc2)o1 ZINC000191146548 355331696 /nfs/dbraw/zinc/33/16/96/355331696.db2.gz LRGRZDNHPLNVOV-GFCCVEGCSA-N 0 3 245.322 3.071 20 0 BGADHN COc1cccc(CNCCCC(C)(C)C)n1 ZINC000191159240 359534802 /nfs/dbraw/zinc/53/48/02/359534802.db2.gz QBNJYLIFWPZRDL-UHFFFAOYSA-N 0 3 236.359 3.006 20 0 BGADHN CCCCN(C)Cc1ccc(N(C)C(C)C)nc1 ZINC000191161900 357739220 /nfs/dbraw/zinc/73/92/20/357739220.db2.gz CRGXNLMWPBDYCZ-UHFFFAOYSA-N 0 3 249.402 3.158 20 0 BGADHN CCOCCN[C@@H](C)c1csc(Cl)c1 ZINC000191183742 491122800 /nfs/dbraw/zinc/12/28/00/491122800.db2.gz LEAPSTQBKWQLIJ-QMMMGPOBSA-N 0 3 233.764 3.089 20 0 BGADHN CCOCCN[C@H](C)c1csc(Cl)c1 ZINC000191183752 491122756 /nfs/dbraw/zinc/12/27/56/491122756.db2.gz LEAPSTQBKWQLIJ-MRVPVSSYSA-N 0 3 233.764 3.089 20 0 BGADHN CCC[C@H](NCCn1ccnc1)c1ccsc1 ZINC000191184790 385290006 /nfs/dbraw/zinc/29/00/06/385290006.db2.gz LKXDHJLPGQHLAH-ZDUSSCGKSA-N 0 3 249.383 3.076 20 0 BGADHN CCC[C@@H](NCCn1ccnc1)c1ccsc1 ZINC000191184808 385288578 /nfs/dbraw/zinc/28/85/78/385288578.db2.gz LKXDHJLPGQHLAH-CYBMUJFWSA-N 0 3 249.383 3.076 20 0 BGADHN CO[C@@H](C)CNCc1ccc(C(C)(C)C)s1 ZINC000191198878 386773884 /nfs/dbraw/zinc/77/38/84/386773884.db2.gz CXRJXRAFTWHVRZ-JTQLQIEISA-N 0 3 241.400 3.170 20 0 BGADHN CO[C@H](C)CNCc1ccc(C(C)(C)C)s1 ZINC000191198892 386773915 /nfs/dbraw/zinc/77/39/15/386773915.db2.gz CXRJXRAFTWHVRZ-SNVBAGLBSA-N 0 3 241.400 3.170 20 0 BGADHN CO[C@@H](C)CNCc1cccc(Cl)c1Cl ZINC000191200934 386774016 /nfs/dbraw/zinc/77/40/16/386774016.db2.gz TWMSFNVXTZXWRF-QMMMGPOBSA-N 0 3 248.153 3.118 20 0 BGADHN CO[C@H](C)CNCc1cccc(Cl)c1Cl ZINC000191200950 355345170 /nfs/dbraw/zinc/34/51/70/355345170.db2.gz TWMSFNVXTZXWRF-MRVPVSSYSA-N 0 3 248.153 3.118 20 0 BGADHN CO[C@@H](C)CNCc1cc(Cl)cc(Cl)c1 ZINC000191202165 355345893 /nfs/dbraw/zinc/34/58/93/355345893.db2.gz ZZDOMRSFLCIHKR-QMMMGPOBSA-N 0 3 248.153 3.118 20 0 BGADHN CO[C@H](C)CNCc1cc(Cl)cc(Cl)c1 ZINC000191202181 355345796 /nfs/dbraw/zinc/34/57/96/355345796.db2.gz ZZDOMRSFLCIHKR-MRVPVSSYSA-N 0 3 248.153 3.118 20 0 BGADHN CO[C@@H](C)CNCc1ccc(Cl)c(Cl)c1 ZINC000191203012 385291949 /nfs/dbraw/zinc/29/19/49/385291949.db2.gz SXAQPOABWGNNLS-QMMMGPOBSA-N 0 3 248.153 3.118 20 0 BGADHN CO[C@H](C)CNCc1ccc(Cl)c(Cl)c1 ZINC000191203028 355346230 /nfs/dbraw/zinc/34/62/30/355346230.db2.gz SXAQPOABWGNNLS-MRVPVSSYSA-N 0 3 248.153 3.118 20 0 BGADHN CO[C@H](C)CNCc1ccc(CC(C)C)cc1 ZINC000191205469 357758138 /nfs/dbraw/zinc/75/81/38/357758138.db2.gz MODFCOLKYYNOIU-CYBMUJFWSA-N 0 3 235.371 3.010 20 0 BGADHN CO[C@@H](C)CNCc1ccc(CC(C)C)cc1 ZINC000191205489 357758267 /nfs/dbraw/zinc/75/82/67/357758267.db2.gz MODFCOLKYYNOIU-ZDUSSCGKSA-N 0 3 235.371 3.010 20 0 BGADHN CO[C@@H](C)CNCc1ccc(C(C)(C)C)cc1 ZINC000191205966 386773756 /nfs/dbraw/zinc/77/37/56/386773756.db2.gz PGCPACCTVIVDQK-LBPRGKRZSA-N 0 3 235.371 3.109 20 0 BGADHN CO[C@H](C)CNCc1ccc(C(C)(C)C)cc1 ZINC000191205980 386774169 /nfs/dbraw/zinc/77/41/69/386774169.db2.gz PGCPACCTVIVDQK-GFCCVEGCSA-N 0 3 235.371 3.109 20 0 BGADHN CCC[C@H](NCCOCC)c1ccsc1 ZINC000191207418 386781853 /nfs/dbraw/zinc/78/18/53/386781853.db2.gz HRBVXOFOBSKTSD-LBPRGKRZSA-N 0 3 227.373 3.215 20 0 BGADHN CCC[C@@H](NCCOCC)c1ccsc1 ZINC000191207432 386781659 /nfs/dbraw/zinc/78/16/59/386781659.db2.gz HRBVXOFOBSKTSD-GFCCVEGCSA-N 0 3 227.373 3.215 20 0 BGADHN CCc1oc2ccccc2c1CNC[C@@H](C)OC ZINC000191207739 134570290 /nfs/dbraw/zinc/57/02/90/134570290.db2.gz VFIRUVKVYVLSJR-LLVKDONJSA-N 0 3 247.338 3.120 20 0 BGADHN CCc1oc2ccccc2c1CNC[C@H](C)OC ZINC000191207756 357757680 /nfs/dbraw/zinc/75/76/80/357757680.db2.gz VFIRUVKVYVLSJR-NSHDSACASA-N 0 3 247.338 3.120 20 0 BGADHN CO[C@@H](C)CNCc1ccc(Cl)cc1Cl ZINC000191210340 398293302 /nfs/dbraw/zinc/29/33/02/398293302.db2.gz CUZZMJZGYDZFCQ-QMMMGPOBSA-N 0 3 248.153 3.118 20 0 BGADHN CO[C@H](C)CNCc1ccc(Cl)cc1Cl ZINC000191210356 398293371 /nfs/dbraw/zinc/29/33/71/398293371.db2.gz CUZZMJZGYDZFCQ-MRVPVSSYSA-N 0 3 248.153 3.118 20 0 BGADHN CCN(Cc1ccc(Br)o1)C(C)C ZINC000191211936 355348870 /nfs/dbraw/zinc/34/88/70/355348870.db2.gz VADWAJUUJOVXNK-UHFFFAOYSA-N 0 3 246.148 3.272 20 0 BGADHN CCN(C)CCN[C@@H](C)c1csc(Cl)c1 ZINC000191219370 386779206 /nfs/dbraw/zinc/77/92/06/386779206.db2.gz BCFHOLOCJTYDLC-VIFPVBQESA-N 0 3 246.807 3.004 20 0 BGADHN CCN(C)CCN[C@H](C)c1csc(Cl)c1 ZINC000191219391 188081272 /nfs/dbraw/zinc/08/12/72/188081272.db2.gz BCFHOLOCJTYDLC-SECBINFHSA-N 0 3 246.807 3.004 20 0 BGADHN CCN(C)c1ccc(CN(C)CCC(C)C)cn1 ZINC000191226513 566345028 /nfs/dbraw/zinc/34/50/28/566345028.db2.gz LIOBGWOQPHVBAN-UHFFFAOYSA-N 0 3 249.402 3.016 20 0 BGADHN CN(Cc1ccc(OCC2CC2)cc1)C1CC1 ZINC000191231332 385295612 /nfs/dbraw/zinc/29/56/12/385295612.db2.gz SZRUUKJVVVXJLK-UHFFFAOYSA-N 0 3 231.339 3.070 20 0 BGADHN COCC[C@H](C)N[C@@H](C)c1csc(Cl)c1 ZINC000191250140 355380820 /nfs/dbraw/zinc/38/08/20/355380820.db2.gz CBXQLEDLNBZHQI-IUCAKERBSA-N 0 3 247.791 3.477 20 0 BGADHN COCC[C@@H](C)N[C@@H](C)c1csc(Cl)c1 ZINC000191250158 355380636 /nfs/dbraw/zinc/38/06/36/355380636.db2.gz CBXQLEDLNBZHQI-BDAKNGLRSA-N 0 3 247.791 3.477 20 0 BGADHN COCC[C@H](C)N[C@H](C)c1csc(Cl)c1 ZINC000191250170 135512810 /nfs/dbraw/zinc/51/28/10/135512810.db2.gz CBXQLEDLNBZHQI-DTWKUNHWSA-N 0 3 247.791 3.477 20 0 BGADHN COCC[C@@H](C)N[C@H](C)c1csc(Cl)c1 ZINC000191250185 355380835 /nfs/dbraw/zinc/38/08/35/355380835.db2.gz CBXQLEDLNBZHQI-RKDXNWHRSA-N 0 3 247.791 3.477 20 0 BGADHN CC[C@](C)(O)CN[C@@H](C)c1csc(Cl)c1 ZINC000191274121 386845646 /nfs/dbraw/zinc/84/56/46/386845646.db2.gz RYKNPRHJCZDFDI-KWQFWETISA-N 0 3 247.791 3.213 20 0 BGADHN CC[C@@](C)(O)CN[C@@H](C)c1csc(Cl)c1 ZINC000191274133 386845578 /nfs/dbraw/zinc/84/55/78/386845578.db2.gz RYKNPRHJCZDFDI-GZMMTYOYSA-N 0 3 247.791 3.213 20 0 BGADHN CC[C@](C)(O)CN[C@H](C)c1csc(Cl)c1 ZINC000191274147 386845240 /nfs/dbraw/zinc/84/52/40/386845240.db2.gz RYKNPRHJCZDFDI-KCJUWKMLSA-N 0 3 247.791 3.213 20 0 BGADHN CC[C@@](C)(O)CN[C@H](C)c1csc(Cl)c1 ZINC000191274163 386844939 /nfs/dbraw/zinc/84/49/39/386844939.db2.gz RYKNPRHJCZDFDI-LDYMZIIASA-N 0 3 247.791 3.213 20 0 BGADHN CCC[C@H](O)CN[C@@H](C)c1csc(Cl)c1 ZINC000191283397 386846967 /nfs/dbraw/zinc/84/69/67/386846967.db2.gz FHWCOVSTWOBTHV-WPRPVWTQSA-N 0 3 247.791 3.213 20 0 BGADHN CCC[C@@H](O)CN[C@@H](C)c1csc(Cl)c1 ZINC000191283409 386847320 /nfs/dbraw/zinc/84/73/20/386847320.db2.gz FHWCOVSTWOBTHV-WCBMZHEXSA-N 0 3 247.791 3.213 20 0 BGADHN CCC[C@H](O)CN[C@H](C)c1csc(Cl)c1 ZINC000191283426 386846813 /nfs/dbraw/zinc/84/68/13/386846813.db2.gz FHWCOVSTWOBTHV-SCZZXKLOSA-N 0 3 247.791 3.213 20 0 BGADHN CCC[C@@H](O)CN[C@H](C)c1csc(Cl)c1 ZINC000191283440 386847795 /nfs/dbraw/zinc/84/77/95/386847795.db2.gz FHWCOVSTWOBTHV-PSASIEDQSA-N 0 3 247.791 3.213 20 0 BGADHN C[C@H](NCC1(C)COC1)c1csc(Cl)c1 ZINC000191285403 355385336 /nfs/dbraw/zinc/38/53/36/355385336.db2.gz KHDSGOGPENVUEI-QMMMGPOBSA-N 0 3 245.775 3.089 20 0 BGADHN C[C@@H](NCC1(C)COC1)c1csc(Cl)c1 ZINC000191285413 355385235 /nfs/dbraw/zinc/38/52/35/355385235.db2.gz KHDSGOGPENVUEI-MRVPVSSYSA-N 0 3 245.775 3.089 20 0 BGADHN CC(C)[C@H](O)CN[C@@H](C)c1csc(Cl)c1 ZINC000191291518 386847199 /nfs/dbraw/zinc/84/71/99/386847199.db2.gz NBTMNCFSTNYQTE-WCBMZHEXSA-N 0 3 247.791 3.069 20 0 BGADHN CC(C)[C@@H](O)CN[C@@H](C)c1csc(Cl)c1 ZINC000191291535 355384049 /nfs/dbraw/zinc/38/40/49/355384049.db2.gz NBTMNCFSTNYQTE-WPRPVWTQSA-N 0 3 247.791 3.069 20 0 BGADHN CC(C)[C@H](O)CN[C@H](C)c1csc(Cl)c1 ZINC000191291546 386846865 /nfs/dbraw/zinc/84/68/65/386846865.db2.gz NBTMNCFSTNYQTE-PSASIEDQSA-N 0 3 247.791 3.069 20 0 BGADHN CC(C)[C@@H](O)CN[C@H](C)c1csc(Cl)c1 ZINC000191291563 386846827 /nfs/dbraw/zinc/84/68/27/386846827.db2.gz NBTMNCFSTNYQTE-SCZZXKLOSA-N 0 3 247.791 3.069 20 0 BGADHN CC[C@@H](COC)N[C@@H](C)c1csc(Cl)c1 ZINC000191299507 355385481 /nfs/dbraw/zinc/38/54/81/355385481.db2.gz ITVMHUCEDQQBPA-WPRPVWTQSA-N 0 3 247.791 3.477 20 0 BGADHN CC[C@H](COC)N[C@@H](C)c1csc(Cl)c1 ZINC000191299524 355385599 /nfs/dbraw/zinc/38/55/99/355385599.db2.gz ITVMHUCEDQQBPA-WCBMZHEXSA-N 0 3 247.791 3.477 20 0 BGADHN CC[C@@H](COC)N[C@H](C)c1csc(Cl)c1 ZINC000191299537 386847054 /nfs/dbraw/zinc/84/70/54/386847054.db2.gz ITVMHUCEDQQBPA-SCZZXKLOSA-N 0 3 247.791 3.477 20 0 BGADHN CC[C@H](COC)N[C@H](C)c1csc(Cl)c1 ZINC000191299553 355385820 /nfs/dbraw/zinc/38/58/20/355385820.db2.gz ITVMHUCEDQQBPA-PSASIEDQSA-N 0 3 247.791 3.477 20 0 BGADHN CC[C@@H](CCO)N[C@@H](C)c1csc(Cl)c1 ZINC000191303516 386847154 /nfs/dbraw/zinc/84/71/54/386847154.db2.gz FQWMSTSVGRWIAS-WPRPVWTQSA-N 0 3 247.791 3.213 20 0 BGADHN CC[C@H](CCO)N[C@@H](C)c1csc(Cl)c1 ZINC000191303532 386846803 /nfs/dbraw/zinc/84/68/03/386846803.db2.gz FQWMSTSVGRWIAS-WCBMZHEXSA-N 0 3 247.791 3.213 20 0 BGADHN CC[C@@H](CCO)N[C@H](C)c1csc(Cl)c1 ZINC000191303550 386847469 /nfs/dbraw/zinc/84/74/69/386847469.db2.gz FQWMSTSVGRWIAS-SCZZXKLOSA-N 0 3 247.791 3.213 20 0 BGADHN CC[C@H](CCO)N[C@H](C)c1csc(Cl)c1 ZINC000191303566 386847645 /nfs/dbraw/zinc/84/76/45/386847645.db2.gz FQWMSTSVGRWIAS-PSASIEDQSA-N 0 3 247.791 3.213 20 0 BGADHN CC1(C)CCC[C@@H]1NCc1cnc(Cl)s1 ZINC000191308060 355386676 /nfs/dbraw/zinc/38/66/76/355386676.db2.gz QWJCJUUMJQEZFM-VIFPVBQESA-N 0 3 244.791 3.465 20 0 BGADHN CC1(C)CCC[C@H]1NCc1cnc(Cl)s1 ZINC000191308073 355386215 /nfs/dbraw/zinc/38/62/15/355386215.db2.gz QWJCJUUMJQEZFM-SECBINFHSA-N 0 3 244.791 3.465 20 0 BGADHN CC1(C)CCC[C@@H]1NCc1nc2ccccc2o1 ZINC000191309143 259573054 /nfs/dbraw/zinc/57/30/54/259573054.db2.gz QZXAUIGERFEWLM-ZDUSSCGKSA-N 0 3 244.338 3.496 20 0 BGADHN CC1(C)CCC[C@H]1NCc1nc2ccccc2o1 ZINC000191309159 388662116 /nfs/dbraw/zinc/66/21/16/388662116.db2.gz QZXAUIGERFEWLM-CYBMUJFWSA-N 0 3 244.338 3.496 20 0 BGADHN CC1(C)CCC[C@@H]1NCc1cccc(Cl)n1 ZINC000191310460 355387065 /nfs/dbraw/zinc/38/70/65/355387065.db2.gz HCVUJVYRUSRWJO-NSHDSACASA-N 0 3 238.762 3.403 20 0 BGADHN CC1(C)CCC[C@H]1NCc1cccc(Cl)n1 ZINC000191310477 355387376 /nfs/dbraw/zinc/38/73/76/355387376.db2.gz HCVUJVYRUSRWJO-LLVKDONJSA-N 0 3 238.762 3.403 20 0 BGADHN COc1cccc(CNCC2(CC(C)C)CC2)n1 ZINC000191311797 355387356 /nfs/dbraw/zinc/38/73/56/355387356.db2.gz KIFBYHREECKPIJ-UHFFFAOYSA-N 0 3 248.370 3.006 20 0 BGADHN CCCC1(CNCc2cccc(OC)n2)CCC1 ZINC000191317898 355388097 /nfs/dbraw/zinc/38/80/97/355388097.db2.gz YMHYDFUHKBQWDO-UHFFFAOYSA-N 0 3 248.370 3.150 20 0 BGADHN CCC1(CNCc2cccc(OC)n2)CCCC1 ZINC000191327424 386854862 /nfs/dbraw/zinc/85/48/62/386854862.db2.gz UVQHTBDIQJVSPR-UHFFFAOYSA-N 0 3 248.370 3.150 20 0 BGADHN C[C@@H](CCCO)N[C@@H](C)c1csc(Cl)c1 ZINC000191337805 355393575 /nfs/dbraw/zinc/39/35/75/355393575.db2.gz ZQZCIZDERLJCEI-IUCAKERBSA-N 0 3 247.791 3.213 20 0 BGADHN C[C@H](CCCO)N[C@@H](C)c1csc(Cl)c1 ZINC000191337820 355393769 /nfs/dbraw/zinc/39/37/69/355393769.db2.gz ZQZCIZDERLJCEI-BDAKNGLRSA-N 0 3 247.791 3.213 20 0 BGADHN C[C@@H](N[C@@H](C)CCCO)c1csc(Cl)c1 ZINC000191337829 355393686 /nfs/dbraw/zinc/39/36/86/355393686.db2.gz ZQZCIZDERLJCEI-DTWKUNHWSA-N 0 3 247.791 3.213 20 0 BGADHN C[C@H](CCCO)N[C@H](C)c1csc(Cl)c1 ZINC000191337844 355393639 /nfs/dbraw/zinc/39/36/39/355393639.db2.gz ZQZCIZDERLJCEI-RKDXNWHRSA-N 0 3 247.791 3.213 20 0 BGADHN CC[C@H](O)CCN[C@@H](C)c1csc(Cl)c1 ZINC000191345737 386860454 /nfs/dbraw/zinc/86/04/54/386860454.db2.gz IFOCCOCAHFPOJJ-WPRPVWTQSA-N 0 3 247.791 3.213 20 0 BGADHN CC[C@@H](O)CCN[C@@H](C)c1csc(Cl)c1 ZINC000191345755 170925986 /nfs/dbraw/zinc/92/59/86/170925986.db2.gz IFOCCOCAHFPOJJ-WCBMZHEXSA-N 0 3 247.791 3.213 20 0 BGADHN CC[C@H](O)CCN[C@H](C)c1csc(Cl)c1 ZINC000191345766 386860925 /nfs/dbraw/zinc/86/09/25/386860925.db2.gz IFOCCOCAHFPOJJ-SCZZXKLOSA-N 0 3 247.791 3.213 20 0 BGADHN CC[C@@H](O)CCN[C@H](C)c1csc(Cl)c1 ZINC000191345785 355390844 /nfs/dbraw/zinc/39/08/44/355390844.db2.gz IFOCCOCAHFPOJJ-PSASIEDQSA-N 0 3 247.791 3.213 20 0 BGADHN C[C@H](NCCCF)c1csc(Cl)c1 ZINC000191383190 359559720 /nfs/dbraw/zinc/55/97/20/359559720.db2.gz GEZTYPOFULZODK-ZETCQYMHSA-N 0 3 221.728 3.412 20 0 BGADHN C[C@@H](NCCCF)c1csc(Cl)c1 ZINC000191383205 359559615 /nfs/dbraw/zinc/55/96/15/359559615.db2.gz GEZTYPOFULZODK-SSDOTTSWSA-N 0 3 221.728 3.412 20 0 BGADHN Cc1ccc(N[C@@H](C)C2CC2)c(CN(C)C)c1 ZINC000191453540 178770092 /nfs/dbraw/zinc/77/00/92/178770092.db2.gz FITRBJDJKFCZBG-LBPRGKRZSA-N 0 3 232.371 3.267 20 0 BGADHN Cc1ccc(N[C@H](C)C2CC2)c(CN(C)C)c1 ZINC000191453558 385303766 /nfs/dbraw/zinc/30/37/66/385303766.db2.gz FITRBJDJKFCZBG-GFCCVEGCSA-N 0 3 232.371 3.267 20 0 BGADHN COC[C@H](Cc1ccccc1)N(C)CC=C(C)C ZINC000191490347 359572955 /nfs/dbraw/zinc/57/29/55/359572955.db2.gz NSZUDVOLFYDBCI-INIZCTEOSA-N 0 3 247.382 3.142 20 0 BGADHN COC[C@@H](Cc1ccccc1)N(C)CC=C(C)C ZINC000191490363 359573155 /nfs/dbraw/zinc/57/31/55/359573155.db2.gz NSZUDVOLFYDBCI-MRXNPFEDSA-N 0 3 247.382 3.142 20 0 BGADHN CC(C)OCCN[C@@H](C)c1csc(Cl)c1 ZINC000191498141 386959678 /nfs/dbraw/zinc/95/96/78/386959678.db2.gz VSFGAZWEINMTRW-VIFPVBQESA-N 0 3 247.791 3.477 20 0 BGADHN CC(C)OCCN[C@H](C)c1csc(Cl)c1 ZINC000191498152 386959936 /nfs/dbraw/zinc/95/99/36/386959936.db2.gz VSFGAZWEINMTRW-SECBINFHSA-N 0 3 247.791 3.477 20 0 BGADHN Cc1ccc2c(c1)nc(CN[C@@H](C)C(C)C)n2C ZINC000191503205 385303574 /nfs/dbraw/zinc/30/35/74/385303574.db2.gz SYZLVLBAOIVAGE-LBPRGKRZSA-N 0 3 245.370 3.016 20 0 BGADHN Cc1ccc2c(c1)nc(CN[C@H](C)C(C)C)n2C ZINC000191503221 385304022 /nfs/dbraw/zinc/30/40/22/385304022.db2.gz SYZLVLBAOIVAGE-GFCCVEGCSA-N 0 3 245.370 3.016 20 0 BGADHN Cc1cccc(CNC(C)C)c1Br ZINC000191541112 386972970 /nfs/dbraw/zinc/97/29/70/386972970.db2.gz COFLNVMXJYQZDM-UHFFFAOYSA-N 0 3 242.160 3.256 20 0 BGADHN c1cc(CN2CCCC3(CCCCC3)CC2)n[nH]1 ZINC000191592880 388666192 /nfs/dbraw/zinc/66/61/92/388666192.db2.gz HTTHBEWRLFHTKS-UHFFFAOYSA-N 0 3 247.386 3.346 20 0 BGADHN c1ncc(CN2CCCC3(CCCCC3)CC2)[nH]1 ZINC000191593860 385307343 /nfs/dbraw/zinc/30/73/43/385307343.db2.gz SGQGNYUJSWMNNU-UHFFFAOYSA-N 0 3 247.386 3.346 20 0 BGADHN c1nc(CN2CCCC3(CCCCC3)CC2)c[nH]1 ZINC000191593860 385307341 /nfs/dbraw/zinc/30/73/41/385307341.db2.gz SGQGNYUJSWMNNU-UHFFFAOYSA-N 0 3 247.386 3.346 20 0 BGADHN Clc1ccc2c(c1)CCN(CC1CC1)C2 ZINC000191613275 357778604 /nfs/dbraw/zinc/77/86/04/357778604.db2.gz JJVSTEPJNQPKMK-UHFFFAOYSA-N 0 3 221.731 3.108 20 0 BGADHN CCC1(CC)CCCN(Cc2cncnc2)CC1 ZINC000191624463 538992950 /nfs/dbraw/zinc/99/29/50/538992950.db2.gz IQHVIFBYMSTAHO-UHFFFAOYSA-N 0 3 247.386 3.269 20 0 BGADHN CCC1(CC)CCCN(Cc2cc[nH]n2)CC1 ZINC000191624620 388666397 /nfs/dbraw/zinc/66/63/97/388666397.db2.gz LUOGZICMTVOEGX-UHFFFAOYSA-N 0 3 235.375 3.202 20 0 BGADHN CCC1(CC)CCCN(Cc2c[nH]cn2)CC1 ZINC000191624688 355750430 /nfs/dbraw/zinc/75/04/30/355750430.db2.gz NQEOAGURVVQDPE-UHFFFAOYSA-N 0 3 235.375 3.202 20 0 BGADHN CC(C)=CCNCc1cnc(C(C)(C)C)s1 ZINC000191625472 188351284 /nfs/dbraw/zinc/35/12/84/188351284.db2.gz SKCSOVIGCPBVHT-UHFFFAOYSA-N 0 3 238.400 3.496 20 0 BGADHN CC(C)=CCNCc1ccc(F)cc1C ZINC000191625579 206016896 /nfs/dbraw/zinc/01/68/96/206016896.db2.gz ZKECDDBCWJHLPF-UHFFFAOYSA-N 0 3 207.292 3.190 20 0 BGADHN CCc1ccc(CNCC=C(C)C)s1 ZINC000191625680 359732775 /nfs/dbraw/zinc/73/27/75/359732775.db2.gz JWQSEVNWXSGEMN-UHFFFAOYSA-N 0 3 209.358 3.366 20 0 BGADHN COc1ccc(CNCC=C(C)C)cc1Cl ZINC000191626075 386985267 /nfs/dbraw/zinc/98/52/67/386985267.db2.gz QAFWWIBNKROVJT-UHFFFAOYSA-N 0 3 239.746 3.404 20 0 BGADHN CC(C)=CCNCc1cnc(-c2ccccc2)[nH]1 ZINC000191626095 187314701 /nfs/dbraw/zinc/31/47/01/187314701.db2.gz FEEHISILJSZBTH-UHFFFAOYSA-N 0 3 241.338 3.133 20 0 BGADHN CC(C)=CCNCc1c[nH]c(-c2ccccc2)n1 ZINC000191626095 187314699 /nfs/dbraw/zinc/31/46/99/187314699.db2.gz FEEHISILJSZBTH-UHFFFAOYSA-N 0 3 241.338 3.133 20 0 BGADHN CC(C)=CCNCc1cc(-c2ccccc2)n[nH]1 ZINC000191626239 357779917 /nfs/dbraw/zinc/77/99/17/357779917.db2.gz XAYRUGJJAOURBR-UHFFFAOYSA-N 0 3 241.338 3.133 20 0 BGADHN COc1ccc2oc(CNCC=C(C)C)cc2c1 ZINC000191626343 388666279 /nfs/dbraw/zinc/66/62/79/388666279.db2.gz ANQHFOLDBFEFSO-UHFFFAOYSA-N 0 3 245.322 3.497 20 0 BGADHN CC(C)=CCNCc1cc(F)ccc1C ZINC000191626362 386985036 /nfs/dbraw/zinc/98/50/36/386985036.db2.gz ZSYGAMWQUTYSOU-UHFFFAOYSA-N 0 3 207.292 3.190 20 0 BGADHN CCOc1ccccc1CNCC=C(C)C ZINC000191626447 386985523 /nfs/dbraw/zinc/98/55/23/386985523.db2.gz XXQQRXDMOXPMCV-UHFFFAOYSA-N 0 3 219.328 3.141 20 0 BGADHN CSc1ccc(CNCC=C(C)C)cc1 ZINC000191626465 386984611 /nfs/dbraw/zinc/98/46/11/386984611.db2.gz OWJBYVKYJRTJGS-UHFFFAOYSA-N 0 3 221.369 3.464 20 0 BGADHN CC(C)=CCNCc1cc(C)ccc1F ZINC000191626823 386986242 /nfs/dbraw/zinc/98/62/42/386986242.db2.gz WQNBEDGZBUITHM-UHFFFAOYSA-N 0 3 207.292 3.190 20 0 BGADHN CC(C)=CCNCc1nccc2ccccc21 ZINC000191626864 538992701 /nfs/dbraw/zinc/99/27/01/538992701.db2.gz IXIQVIOPHBFQIH-UHFFFAOYSA-N 0 3 226.323 3.291 20 0 BGADHN CC(C)=CCNCc1c[nH]nc1-c1ccc(C)o1 ZINC000191627044 386984903 /nfs/dbraw/zinc/98/49/03/386984903.db2.gz BFMVFGGNBTZZTQ-UHFFFAOYSA-N 0 3 245.326 3.034 20 0 BGADHN CC(C)=CCNCc1cccc2cccnc21 ZINC000191627064 353500698 /nfs/dbraw/zinc/50/06/98/353500698.db2.gz YVYXKIQVUIAJTR-UHFFFAOYSA-N 0 3 226.323 3.291 20 0 BGADHN CC(C)=CCNCc1ccc(F)c(F)c1 ZINC000191627360 188350503 /nfs/dbraw/zinc/35/05/03/188350503.db2.gz LZFZQBZNUFOFAJ-UHFFFAOYSA-N 0 3 211.255 3.021 20 0 BGADHN COc1ccccc1/C=C/CNCC=C(C)C ZINC000191627574 175314858 /nfs/dbraw/zinc/31/48/58/175314858.db2.gz SUSYFKAMBWCQBR-SOFGYWHQSA-N 0 3 231.339 3.264 20 0 BGADHN CC(C)=CCNCc1cc(F)c(F)c(F)c1 ZINC000191627636 386985326 /nfs/dbraw/zinc/98/53/26/386985326.db2.gz WNAJBGQMYVDLID-UHFFFAOYSA-N 0 3 229.245 3.160 20 0 BGADHN CCOc1cc(CNCC=C(C)C)ccc1OC ZINC000191627794 385310253 /nfs/dbraw/zinc/31/02/53/385310253.db2.gz YLZAREDLZOFGHA-UHFFFAOYSA-N 0 3 249.354 3.150 20 0 BGADHN CC(C)=CCNCc1cnc(CC(C)C)s1 ZINC000191628090 386433061 /nfs/dbraw/zinc/43/30/61/386433061.db2.gz QIPJYKHWECBSHV-UHFFFAOYSA-N 0 3 238.400 3.397 20 0 BGADHN CC(C)=CCNC/C=C/c1ccc(F)cc1 ZINC000191628112 205937516 /nfs/dbraw/zinc/93/75/16/205937516.db2.gz HCKVZWUURBYFCK-ONEGZZNKSA-N 0 3 219.303 3.395 20 0 BGADHN CCOc1cccc(CNCC=C(C)C)c1 ZINC000191628496 355756862 /nfs/dbraw/zinc/75/68/62/355756862.db2.gz POVVEMWTPNWGKN-UHFFFAOYSA-N 0 3 219.328 3.141 20 0 BGADHN CC(C)=CCNCc1c(C)nc2sc(C)cn12 ZINC000191628540 538993168 /nfs/dbraw/zinc/99/31/68/538993168.db2.gz UVCOZNDZIVBLTK-UHFFFAOYSA-N 0 3 249.383 3.068 20 0 BGADHN CC(C)=CCNC/C=C/c1ccccc1 ZINC000191628649 386987655 /nfs/dbraw/zinc/98/76/55/386987655.db2.gz QUJZEFJIRHMDFZ-RMKNXTFCSA-N 0 3 201.313 3.256 20 0 BGADHN CC(C)=CCNCc1c[nH]nc1-c1ccccc1 ZINC000191629000 353500517 /nfs/dbraw/zinc/50/05/17/353500517.db2.gz SEJAUYMWDATOAH-UHFFFAOYSA-N 0 3 241.338 3.133 20 0 BGADHN CC(C)=CCNCC1=Cc2ccccc2OC1 ZINC000191629683 188003622 /nfs/dbraw/zinc/00/36/22/188003622.db2.gz OUNRGKJVMSBXTQ-UHFFFAOYSA-N 0 3 229.323 3.018 20 0 BGADHN CC(C)=CCNCc1ccc2ncccc2c1 ZINC000191629879 353500665 /nfs/dbraw/zinc/50/06/65/353500665.db2.gz PPFVOPPASLTWBO-UHFFFAOYSA-N 0 3 226.323 3.291 20 0 BGADHN CC(C)=CCNCc1cc(F)cc(F)c1 ZINC000191630244 188173157 /nfs/dbraw/zinc/17/31/57/188173157.db2.gz QNEMHDRVXSPRAR-UHFFFAOYSA-N 0 3 211.255 3.021 20 0 BGADHN CCOc1ccc(CNCC=C(C)C)cc1OC ZINC000191630391 170546191 /nfs/dbraw/zinc/54/61/91/170546191.db2.gz MTSPXBTVEBEYPQ-UHFFFAOYSA-N 0 3 249.354 3.150 20 0 BGADHN CCOc1ccc(CNCC=C(C)C)cc1 ZINC000191630413 323192055 /nfs/dbraw/zinc/19/20/55/323192055.db2.gz KXEDIBOCTYEZDD-UHFFFAOYSA-N 0 3 219.328 3.141 20 0 BGADHN CC(C)=CCNCc1cc(F)cc2cccnc21 ZINC000191631062 357779880 /nfs/dbraw/zinc/77/98/80/357779880.db2.gz MSYQJTZBMKKVHU-UHFFFAOYSA-N 0 3 244.313 3.430 20 0 BGADHN CC(C)=CCNCc1coc2ccccc12 ZINC000191631083 385309945 /nfs/dbraw/zinc/30/99/45/385309945.db2.gz ZETITMQHZVNBSQ-UHFFFAOYSA-N 0 3 215.296 3.489 20 0 BGADHN CC(C)=CCNCc1ccc(Cl)s1 ZINC000191631767 398301944 /nfs/dbraw/zinc/30/19/44/398301944.db2.gz AYASIIDVLZJJAW-UHFFFAOYSA-N 0 3 215.749 3.457 20 0 BGADHN COc1ccc(Cl)cc1CNCC=C(C)C ZINC000191632196 634218062 /nfs/dbraw/zinc/21/80/62/634218062.db2.gz QCJCUTUPHUAAQP-UHFFFAOYSA-N 0 3 239.746 3.404 20 0 BGADHN CC(C)=CCNCc1cccc(OC(F)F)c1 ZINC000191632342 388666351 /nfs/dbraw/zinc/66/63/51/388666351.db2.gz WDGXNCDPBIBPEM-UHFFFAOYSA-N 0 3 241.281 3.344 20 0 BGADHN CC(C)=CCNCc1ccccc1OC(F)F ZINC000191632599 398302419 /nfs/dbraw/zinc/30/24/19/398302419.db2.gz HGXYJBABFQLDPJ-UHFFFAOYSA-N 0 3 241.281 3.344 20 0 BGADHN CC(C)=CCNCc1cc2ccccc2o1 ZINC000191632741 398302355 /nfs/dbraw/zinc/30/23/55/398302355.db2.gz YFPASEXRIMLZBI-UHFFFAOYSA-N 0 3 215.296 3.489 20 0 BGADHN CO[C@@H](C)[C@H](C)N[C@@H](C)c1ccc(Cl)s1 ZINC000191635570 386988486 /nfs/dbraw/zinc/98/84/86/386988486.db2.gz QEKHVHOBOQPBQG-CIUDSAMLSA-N 0 3 247.791 3.476 20 0 BGADHN CO[C@@H](C)[C@H](C)N[C@H](C)c1ccc(Cl)s1 ZINC000191635593 386433549 /nfs/dbraw/zinc/43/35/49/386433549.db2.gz QEKHVHOBOQPBQG-YIZRAAEISA-N 0 3 247.791 3.476 20 0 BGADHN CO[C@H](C)[C@H](C)N[C@@H](C)c1cc(F)cc(F)c1 ZINC000191637103 385310235 /nfs/dbraw/zinc/31/02/35/385310235.db2.gz GUKCWILPLNYZSD-LPEHRKFASA-N 0 3 243.297 3.039 20 0 BGADHN CO[C@@H](C)[C@H](C)N[C@@H](C)c1cc(F)cc(F)c1 ZINC000191637119 385313746 /nfs/dbraw/zinc/31/37/46/385313746.db2.gz GUKCWILPLNYZSD-GUBZILKMSA-N 0 3 243.297 3.039 20 0 BGADHN CO[C@H](C)[C@H](C)N[C@H](C)c1cc(F)cc(F)c1 ZINC000191637135 385312639 /nfs/dbraw/zinc/31/26/39/385312639.db2.gz GUKCWILPLNYZSD-IVZWLZJFSA-N 0 3 243.297 3.039 20 0 BGADHN CO[C@@H](C)[C@H](C)N[C@H](C)c1cc(F)cc(F)c1 ZINC000191637150 385313564 /nfs/dbraw/zinc/31/35/64/385313564.db2.gz GUKCWILPLNYZSD-AEJSXWLSSA-N 0 3 243.297 3.039 20 0 BGADHN CO[C@H](C)[C@H](C)N[C@@H](C)c1cccc(F)c1F ZINC000191638298 385313411 /nfs/dbraw/zinc/31/34/11/385313411.db2.gz NWPDQDBWKQYIRS-LPEHRKFASA-N 0 3 243.297 3.039 20 0 BGADHN CO[C@@H](C)[C@H](C)N[C@@H](C)c1cccc(F)c1F ZINC000191638310 385312836 /nfs/dbraw/zinc/31/28/36/385312836.db2.gz NWPDQDBWKQYIRS-GUBZILKMSA-N 0 3 243.297 3.039 20 0 BGADHN CO[C@H](C)[C@H](C)N[C@H](C)c1cccc(F)c1F ZINC000191638324 385313851 /nfs/dbraw/zinc/31/38/51/385313851.db2.gz NWPDQDBWKQYIRS-IVZWLZJFSA-N 0 3 243.297 3.039 20 0 BGADHN CO[C@@H](C)[C@H](C)N[C@H](C)c1cccc(F)c1F ZINC000191638336 385313131 /nfs/dbraw/zinc/31/31/31/385313131.db2.gz NWPDQDBWKQYIRS-AEJSXWLSSA-N 0 3 243.297 3.039 20 0 BGADHN CC[C@H](N[C@@H](C)[C@@H](C)OC)c1ccccc1F ZINC000191652656 385313840 /nfs/dbraw/zinc/31/38/40/385313840.db2.gz BHNYVDGXECHNEO-WDMOLILDSA-N 0 3 239.334 3.290 20 0 BGADHN CC[C@@H](N[C@@H](C)[C@@H](C)OC)c1ccccc1F ZINC000191652671 347356481 /nfs/dbraw/zinc/35/64/81/347356481.db2.gz BHNYVDGXECHNEO-MISXGVKJSA-N 0 3 239.334 3.290 20 0 BGADHN CC[C@H](N[C@@H](C)[C@H](C)OC)c1ccccc1F ZINC000191652687 385313802 /nfs/dbraw/zinc/31/38/02/385313802.db2.gz BHNYVDGXECHNEO-MJVIPROJSA-N 0 3 239.334 3.290 20 0 BGADHN CC[C@@H](N[C@@H](C)[C@H](C)OC)c1ccccc1F ZINC000191652706 347356426 /nfs/dbraw/zinc/35/64/26/347356426.db2.gz BHNYVDGXECHNEO-COPLHBTASA-N 0 3 239.334 3.290 20 0 BGADHN Cc1ccc(CN(C)CC[C@@H]2CCCO2)s1 ZINC000191661003 385314421 /nfs/dbraw/zinc/31/44/21/385314421.db2.gz UKEKEOTXDJLBJH-LBPRGKRZSA-N 0 3 239.384 3.057 20 0 BGADHN Cc1ccc(CN(C)CC[C@H]2CCCO2)s1 ZINC000191661018 385313233 /nfs/dbraw/zinc/31/32/33/385313233.db2.gz UKEKEOTXDJLBJH-GFCCVEGCSA-N 0 3 239.384 3.057 20 0 BGADHN Cn1cccc1CNCc1ccc(C2CC2)cc1 ZINC000191680926 490160992 /nfs/dbraw/zinc/16/09/92/490160992.db2.gz JSOKOPHSQLDPPE-UHFFFAOYSA-N 0 3 240.350 3.192 20 0 BGADHN c1cc(C2CC2)ccc1CNCC1=CCCOC1 ZINC000191681884 355830620 /nfs/dbraw/zinc/83/06/20/355830620.db2.gz LKTRMDZNDFVSDE-UHFFFAOYSA-N 0 3 243.350 3.000 20 0 BGADHN c1cc(CNCc2ccc(C3CC3)cc2)c[nH]1 ZINC000191682598 490160967 /nfs/dbraw/zinc/16/09/67/490160967.db2.gz ZOEPPAAZFSISIE-UHFFFAOYSA-N 0 3 226.323 3.182 20 0 BGADHN CO[C@H](C)[C@H](C)NCc1c(C)oc2ccccc21 ZINC000191695610 385316857 /nfs/dbraw/zinc/31/68/57/385316857.db2.gz UXAICUJYMJGGRC-WDEREUQCSA-N 0 3 247.338 3.254 20 0 BGADHN CO[C@@H](C)[C@H](C)NCc1c(C)oc2ccccc21 ZINC000191695624 385315471 /nfs/dbraw/zinc/31/54/71/385315471.db2.gz UXAICUJYMJGGRC-QWRGUYRKSA-N 0 3 247.338 3.254 20 0 BGADHN CC(C)C(CN[C@@H](C)c1cnccn1)C(C)C ZINC000191700637 385316708 /nfs/dbraw/zinc/31/67/08/385316708.db2.gz GDFHXEROMGEQSX-LBPRGKRZSA-N 0 3 235.375 3.055 20 0 BGADHN CC(C)C(CN[C@H](C)c1cnccn1)C(C)C ZINC000191700651 385315901 /nfs/dbraw/zinc/31/59/01/385315901.db2.gz GDFHXEROMGEQSX-GFCCVEGCSA-N 0 3 235.375 3.055 20 0 BGADHN Cc1csc(CNCC(C(C)C)C(C)C)n1 ZINC000191700792 387053479 /nfs/dbraw/zinc/05/34/79/387053479.db2.gz QIGVLQGOZPUCSL-UHFFFAOYSA-N 0 3 240.416 3.469 20 0 BGADHN Cc1nc(CNCC(C(C)C)C(C)C)cs1 ZINC000191701824 387052348 /nfs/dbraw/zinc/05/23/48/387052348.db2.gz RXXYJVMPSNJKDO-UHFFFAOYSA-N 0 3 240.416 3.469 20 0 BGADHN CC(C)C(CNCc1cscn1)C(C)C ZINC000191702865 387055433 /nfs/dbraw/zinc/05/54/33/387055433.db2.gz GTLDINKFTROIRC-UHFFFAOYSA-N 0 3 226.389 3.161 20 0 BGADHN CO[C@@H](C)[C@H](C)N[C@@H](C)c1ccc(Cl)cc1 ZINC000191706083 385318926 /nfs/dbraw/zinc/31/89/26/385318926.db2.gz CWZRSMFXJUFTTK-DCAQKATOSA-N 0 3 241.762 3.414 20 0 BGADHN CO[C@@H](C)[C@H](C)N[C@H](C)c1ccc(Cl)cc1 ZINC000191706103 385317783 /nfs/dbraw/zinc/31/77/83/385317783.db2.gz CWZRSMFXJUFTTK-AXFHLTTASA-N 0 3 241.762 3.414 20 0 BGADHN CO[C@@H](C)[C@H](C)N[C@@H](C)c1ccc(F)cc1F ZINC000191706120 387054634 /nfs/dbraw/zinc/05/46/34/387054634.db2.gz XICLFWAJIBKKIW-GUBZILKMSA-N 0 3 243.297 3.039 20 0 BGADHN CO[C@@H](C)[C@H](C)N[C@H](C)c1ccc(F)cc1F ZINC000191706140 385319462 /nfs/dbraw/zinc/31/94/62/385319462.db2.gz XICLFWAJIBKKIW-AEJSXWLSSA-N 0 3 243.297 3.039 20 0 BGADHN CO[C@@H](C)[C@H](C)N[C@H](C)c1ccccc1Cl ZINC000191709175 385317925 /nfs/dbraw/zinc/31/79/25/385317925.db2.gz GIUIOUAVLNZLDZ-AXFHLTTASA-N 0 3 241.762 3.414 20 0 BGADHN CO[C@@H](C)[C@H](C)N[C@@H](C)c1cccc(Cl)c1 ZINC000191709299 385318453 /nfs/dbraw/zinc/31/84/53/385318453.db2.gz RJPUEAQVWUJILM-DCAQKATOSA-N 0 3 241.762 3.414 20 0 BGADHN CO[C@@H](C)[C@H](C)N[C@H](C)c1cccc(Cl)c1 ZINC000191709317 385319273 /nfs/dbraw/zinc/31/92/73/385319273.db2.gz RJPUEAQVWUJILM-AXFHLTTASA-N 0 3 241.762 3.414 20 0 BGADHN CO[C@@H](C)[C@H](C)N[C@@H](C)c1cc(F)ccc1F ZINC000191721252 355837831 /nfs/dbraw/zinc/83/78/31/355837831.db2.gz SIAYCTZLRUILOV-GUBZILKMSA-N 0 3 243.297 3.039 20 0 BGADHN CO[C@@H](C)[C@H](C)N[C@H](C)c1cc(F)ccc1F ZINC000191721266 385319380 /nfs/dbraw/zinc/31/93/80/385319380.db2.gz SIAYCTZLRUILOV-AEJSXWLSSA-N 0 3 243.297 3.039 20 0 BGADHN CO[C@@H](C)[C@H](C)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000191721328 386412099 /nfs/dbraw/zinc/41/20/99/386412099.db2.gz ZWIGDCPCXQWLOX-GUBZILKMSA-N 0 3 243.297 3.039 20 0 BGADHN CO[C@@H](C)[C@H](C)N[C@H](C)c1ccc(F)c(F)c1 ZINC000191721345 385320078 /nfs/dbraw/zinc/32/00/78/385320078.db2.gz ZWIGDCPCXQWLOX-AEJSXWLSSA-N 0 3 243.297 3.039 20 0 BGADHN CC(C)=CCN[C@@H](C)c1ccc(Cl)nc1 ZINC000191737933 355840859 /nfs/dbraw/zinc/84/08/59/355840859.db2.gz BEXGLZWTTFGAIS-JTQLQIEISA-N 0 3 224.735 3.352 20 0 BGADHN CC(C)=CCN[C@H](C)c1ccc(Cl)nc1 ZINC000191737951 355840794 /nfs/dbraw/zinc/84/07/94/355840794.db2.gz BEXGLZWTTFGAIS-SNVBAGLBSA-N 0 3 224.735 3.352 20 0 BGADHN CCCC1CCC(N(C)Cc2cncn2C)CC1 ZINC000191808020 534924519 /nfs/dbraw/zinc/92/45/19/534924519.db2.gz QQCYQDPQHJUJOK-UHFFFAOYSA-N 0 3 249.402 3.211 20 0 BGADHN CCCC1CCC(N(C)Cc2ccnn2C)CC1 ZINC000191808039 357798615 /nfs/dbraw/zinc/79/86/15/357798615.db2.gz QICWEWWLIXQTIJ-UHFFFAOYSA-N 0 3 249.402 3.211 20 0 BGADHN CCCC1CCC(N(C)Cc2cncnc2)CC1 ZINC000191808103 538993363 /nfs/dbraw/zinc/99/33/63/538993363.db2.gz ZPMMEKSNVJJMQM-UHFFFAOYSA-N 0 3 247.386 3.267 20 0 BGADHN CCCC1CCC(N(C)Cc2cnc[nH]2)CC1 ZINC000191808354 357798332 /nfs/dbraw/zinc/79/83/32/357798332.db2.gz LSRFWYHWMRHJJO-UHFFFAOYSA-N 0 3 235.375 3.200 20 0 BGADHN CCCC1CCC(N(C)Cc2c[nH]cn2)CC1 ZINC000191808354 357798328 /nfs/dbraw/zinc/79/83/28/357798328.db2.gz LSRFWYHWMRHJJO-UHFFFAOYSA-N 0 3 235.375 3.200 20 0 BGADHN C[C@@H]1CCSCCN1Cc1ccc(F)cc1 ZINC000191810457 176193390 /nfs/dbraw/zinc/19/33/90/176193390.db2.gz ZZMHWVXJRHYCBF-LLVKDONJSA-N 0 3 239.359 3.153 20 0 BGADHN C[C@H]1CCSCCN1Cc1ccc(F)cc1 ZINC000191810470 177180209 /nfs/dbraw/zinc/18/02/09/177180209.db2.gz ZZMHWVXJRHYCBF-NSHDSACASA-N 0 3 239.359 3.153 20 0 BGADHN C[C@@H]1CCSCCN1Cc1ccccc1F ZINC000191810683 176193323 /nfs/dbraw/zinc/19/33/23/176193323.db2.gz OUGURUSXQJIHHY-LLVKDONJSA-N 0 3 239.359 3.153 20 0 BGADHN C[C@H]1CCSCCN1Cc1ccccc1F ZINC000191810695 177179933 /nfs/dbraw/zinc/17/99/33/177179933.db2.gz OUGURUSXQJIHHY-NSHDSACASA-N 0 3 239.359 3.153 20 0 BGADHN C[C@@H]1CCSCCN1Cc1cccc(F)c1 ZINC000191812110 176193872 /nfs/dbraw/zinc/19/38/72/176193872.db2.gz BQCZRCZHDQVYHP-LLVKDONJSA-N 0 3 239.359 3.153 20 0 BGADHN C[C@H]1CCSCCN1Cc1cccc(F)c1 ZINC000191812123 177179950 /nfs/dbraw/zinc/17/99/50/177179950.db2.gz BQCZRCZHDQVYHP-NSHDSACASA-N 0 3 239.359 3.153 20 0 BGADHN C[C@@H]1CCSCCN1Cc1ccsc1 ZINC000191812362 176194265 /nfs/dbraw/zinc/19/42/65/176194265.db2.gz NCXGBEBTANNJQX-SNVBAGLBSA-N 0 3 227.398 3.076 20 0 BGADHN C[C@H]1CCSCCN1Cc1ccsc1 ZINC000191812373 177180179 /nfs/dbraw/zinc/18/01/79/177180179.db2.gz NCXGBEBTANNJQX-JTQLQIEISA-N 0 3 227.398 3.076 20 0 BGADHN CCc1ccc(CN2CCSCC[C@@H]2C)o1 ZINC000191820566 357799474 /nfs/dbraw/zinc/79/94/74/357799474.db2.gz FVXKCLAHURUMFO-NSHDSACASA-N 0 3 239.384 3.169 20 0 BGADHN CCc1ccc(CN2CCSCC[C@H]2C)o1 ZINC000191820584 357799618 /nfs/dbraw/zinc/79/96/18/357799618.db2.gz FVXKCLAHURUMFO-LLVKDONJSA-N 0 3 239.384 3.169 20 0 BGADHN CN(C)CCSCc1cccc(Cl)c1F ZINC000191833577 259390125 /nfs/dbraw/zinc/39/01/25/259390125.db2.gz ZUVIIAYSSVIYGR-UHFFFAOYSA-N 0 3 247.766 3.274 20 0 BGADHN CC1(C)CCC[C@@H]1NCc1noc2c1CCCC2 ZINC000191855382 361406031 /nfs/dbraw/zinc/40/60/31/361406031.db2.gz NOWDHBWWSQTTKZ-AWEZNQCLSA-N 0 3 248.370 3.222 20 0 BGADHN CC1(C)CCC[C@H]1NCc1noc2c1CCCC2 ZINC000191855394 361406702 /nfs/dbraw/zinc/40/67/02/361406702.db2.gz NOWDHBWWSQTTKZ-CQSZACIVSA-N 0 3 248.370 3.222 20 0 BGADHN CC(C)CC[C@@H]1CCC[C@@H]1NCc1ncccn1 ZINC000191882069 363195693 /nfs/dbraw/zinc/19/56/93/363195693.db2.gz LZMSSTJCZKCTJH-KBPBESRZSA-N 0 3 247.386 3.171 20 0 BGADHN CC(C)CC[C@H]1CCC[C@@H]1NCc1ncccn1 ZINC000191882080 363195484 /nfs/dbraw/zinc/19/54/84/363195484.db2.gz LZMSSTJCZKCTJH-KGLIPLIRSA-N 0 3 247.386 3.171 20 0 BGADHN CC(C)CC[C@@H]1CCC[C@H]1NCc1ncccn1 ZINC000191882089 363195679 /nfs/dbraw/zinc/19/56/79/363195679.db2.gz LZMSSTJCZKCTJH-UONOGXRCSA-N 0 3 247.386 3.171 20 0 BGADHN CC(C)CC[C@H]1CCC[C@H]1NCc1ncccn1 ZINC000191882101 363195219 /nfs/dbraw/zinc/19/52/19/363195219.db2.gz LZMSSTJCZKCTJH-ZIAGYGMSSA-N 0 3 247.386 3.171 20 0 BGADHN CCN1CCc2c(cccc2C(C)C)C1 ZINC000191890175 357802042 /nfs/dbraw/zinc/80/20/42/357802042.db2.gz YJZXFSVDNZOKJL-UHFFFAOYSA-N 0 3 203.329 3.188 20 0 BGADHN COC[C@H](C)N1CCc2c(cccc2C(C)C)C1 ZINC000191893647 357803546 /nfs/dbraw/zinc/80/35/46/357803546.db2.gz GTSASLLFQCUJHV-ZDUSSCGKSA-N 0 3 247.382 3.203 20 0 BGADHN COC[C@@H](C)N1CCc2c(cccc2C(C)C)C1 ZINC000191893660 357803408 /nfs/dbraw/zinc/80/34/08/357803408.db2.gz GTSASLLFQCUJHV-CYBMUJFWSA-N 0 3 247.382 3.203 20 0 BGADHN CO[C@H](C)[C@H](C)Nc1ccnc2ccccc21 ZINC000191902275 385331965 /nfs/dbraw/zinc/33/19/65/385331965.db2.gz WRSOABBGWUCMLQ-WDEREUQCSA-N 0 3 230.311 3.070 20 0 BGADHN CO[C@@H](C)[C@H](C)Nc1ccnc2ccccc21 ZINC000191902284 385331309 /nfs/dbraw/zinc/33/13/09/385331309.db2.gz WRSOABBGWUCMLQ-QWRGUYRKSA-N 0 3 230.311 3.070 20 0 BGADHN CC(C)N(Cc1cocn1)C1CCCCC1 ZINC000191920348 386713649 /nfs/dbraw/zinc/71/36/49/386713649.db2.gz RKZBMGDHHMRYEO-UHFFFAOYSA-N 0 3 222.332 3.218 20 0 BGADHN c1nc(CN2CCC[C@@H]2C2CCCCC2)co1 ZINC000191927319 386716314 /nfs/dbraw/zinc/71/63/14/386716314.db2.gz VEHOGHSPDLKAGH-CQSZACIVSA-N 0 3 234.343 3.219 20 0 BGADHN c1nc(CN2CCC[C@H]2C2CCCCC2)co1 ZINC000191927330 386716611 /nfs/dbraw/zinc/71/66/11/386716611.db2.gz VEHOGHSPDLKAGH-AWEZNQCLSA-N 0 3 234.343 3.219 20 0 BGADHN CCCN(Cc1cocn1)CC1CCCCC1 ZINC000191935421 386716335 /nfs/dbraw/zinc/71/63/35/386716335.db2.gz OWGOQIRQQPTBDH-UHFFFAOYSA-N 0 3 236.359 3.467 20 0 BGADHN c1ccc([C@@H]2OCC[C@H]2N[C@H]2C=CCCC2)cc1 ZINC000191938634 387231052 /nfs/dbraw/zinc/23/10/52/387231052.db2.gz IAYCRIHGNQYOKJ-XHSDSOJGSA-N 0 3 243.350 3.215 20 0 BGADHN c1nc(CN(CC2CC2)C2CCCCC2)co1 ZINC000191939746 386724054 /nfs/dbraw/zinc/72/40/54/386724054.db2.gz NWKAUEBSJQOSSB-UHFFFAOYSA-N 0 3 234.343 3.219 20 0 BGADHN CC(C)C[C@@H]1CCCCCN1Cc1cocn1 ZINC000191944953 386721660 /nfs/dbraw/zinc/72/16/60/386721660.db2.gz HEJMWZJWZKGMNB-AWEZNQCLSA-N 0 3 236.359 3.465 20 0 BGADHN CC(C)C[C@H]1CCCCCN1Cc1cocn1 ZINC000191944961 386721627 /nfs/dbraw/zinc/72/16/27/386721627.db2.gz HEJMWZJWZKGMNB-CQSZACIVSA-N 0 3 236.359 3.465 20 0 BGADHN CCC[C@@H]1[C@H](C)CCCN1Cc1cocn1 ZINC000191946974 386721378 /nfs/dbraw/zinc/72/13/78/386721378.db2.gz JQCKKAPOZMWQCR-DGCLKSJQSA-N 0 3 222.332 3.075 20 0 BGADHN CCC[C@H]1[C@H](C)CCCN1Cc1cocn1 ZINC000191946982 386721543 /nfs/dbraw/zinc/72/15/43/386721543.db2.gz JQCKKAPOZMWQCR-YPMHNXCESA-N 0 3 222.332 3.075 20 0 BGADHN CCC[C@@H]1[C@@H](C)CCCN1Cc1cocn1 ZINC000191946988 386719731 /nfs/dbraw/zinc/71/97/31/386719731.db2.gz JQCKKAPOZMWQCR-WCQYABFASA-N 0 3 222.332 3.075 20 0 BGADHN CCC[C@H]1[C@@H](C)CCCN1Cc1cocn1 ZINC000191946996 385336935 /nfs/dbraw/zinc/33/69/35/385336935.db2.gz JQCKKAPOZMWQCR-AAEUAGOBSA-N 0 3 222.332 3.075 20 0 BGADHN CCC(C)(C)[C@@H]1CCCN1Cc1cocn1 ZINC000191947563 398310582 /nfs/dbraw/zinc/31/05/82/398310582.db2.gz LUXDDNQZEMIPGG-LBPRGKRZSA-N 0 3 222.332 3.075 20 0 BGADHN CCC(C)(C)[C@H]1CCCN1Cc1cocn1 ZINC000191947567 398310631 /nfs/dbraw/zinc/31/06/31/398310631.db2.gz LUXDDNQZEMIPGG-GFCCVEGCSA-N 0 3 222.332 3.075 20 0 BGADHN CC(C)CN(Cc1cocn1)CC(C)(C)C ZINC000191947792 398310736 /nfs/dbraw/zinc/31/07/36/398310736.db2.gz DQIBODOHTWBDNI-UHFFFAOYSA-N 0 3 224.348 3.179 20 0 BGADHN CCC(CC)N(Cc1cocn1)CC(C)C ZINC000191948735 398310662 /nfs/dbraw/zinc/31/06/62/398310662.db2.gz VIYXCHJXVCPGKX-UHFFFAOYSA-N 0 3 224.348 3.321 20 0 BGADHN CCC[C@@H](C)[C@@H]1CCCN1Cc1cocn1 ZINC000191948790 398310550 /nfs/dbraw/zinc/31/05/50/398310550.db2.gz NTTKFQDDUSXZGF-YPMHNXCESA-N 0 3 222.332 3.075 20 0 BGADHN CCC[C@H](C)[C@@H]1CCCN1Cc1cocn1 ZINC000191948796 398310749 /nfs/dbraw/zinc/31/07/49/398310749.db2.gz NTTKFQDDUSXZGF-AAEUAGOBSA-N 0 3 222.332 3.075 20 0 BGADHN CCC[C@@H](C)[C@H]1CCCN1Cc1cocn1 ZINC000191948803 398310772 /nfs/dbraw/zinc/31/07/72/398310772.db2.gz NTTKFQDDUSXZGF-DGCLKSJQSA-N 0 3 222.332 3.075 20 0 BGADHN CCC[C@H](C)[C@H]1CCCN1Cc1cocn1 ZINC000191948809 398310647 /nfs/dbraw/zinc/31/06/47/398310647.db2.gz NTTKFQDDUSXZGF-WCQYABFASA-N 0 3 222.332 3.075 20 0 BGADHN COc1ccc(Cl)c(CN(C)CC2CC2)c1 ZINC000191950441 357806319 /nfs/dbraw/zinc/80/63/19/357806319.db2.gz WNGGLTAPPKJSIA-UHFFFAOYSA-N 0 3 239.746 3.190 20 0 BGADHN c1cnc(CN2CCC[C@@H]2C2CCCCC2)nc1 ZINC000191950992 388671945 /nfs/dbraw/zinc/67/19/45/388671945.db2.gz LVKUFDOUFMZNJK-CQSZACIVSA-N 0 3 245.370 3.021 20 0 BGADHN c1cnc(CN2CCC[C@H]2C2CCCCC2)nc1 ZINC000191951002 388671962 /nfs/dbraw/zinc/67/19/62/388671962.db2.gz LVKUFDOUFMZNJK-AWEZNQCLSA-N 0 3 245.370 3.021 20 0 BGADHN CC(C)=CCN[C@@H]1CCO[C@@H]1c1ccccc1 ZINC000191954399 364774863 /nfs/dbraw/zinc/77/48/63/364774863.db2.gz MSMUACIXANSUSA-HUUCEWRRSA-N 0 3 231.339 3.072 20 0 BGADHN CC(C)=CCN[C@H]1CCO[C@@H]1c1ccccc1 ZINC000191954406 364775298 /nfs/dbraw/zinc/77/52/98/364775298.db2.gz MSMUACIXANSUSA-LSDHHAIUSA-N 0 3 231.339 3.072 20 0 BGADHN CC(C)=CCN[C@@H]1CCO[C@H]1c1ccccc1 ZINC000191954411 364775485 /nfs/dbraw/zinc/77/54/85/364775485.db2.gz MSMUACIXANSUSA-CABCVRRESA-N 0 3 231.339 3.072 20 0 BGADHN CC(C)=CCN[C@H]1CCO[C@H]1c1ccccc1 ZINC000191954419 364775089 /nfs/dbraw/zinc/77/50/89/364775089.db2.gz MSMUACIXANSUSA-GJZGRUSLSA-N 0 3 231.339 3.072 20 0 BGADHN CCCN(Cc1ncccn1)CC1CCCCC1 ZINC000191958544 357806245 /nfs/dbraw/zinc/80/62/45/357806245.db2.gz KGHCCCSXKWUUED-UHFFFAOYSA-N 0 3 247.386 3.269 20 0 BGADHN CC(C)=CCN1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000191977009 357818775 /nfs/dbraw/zinc/81/87/75/357818775.db2.gz JAONQLXUMIFSKU-UKRRQHHQSA-N 0 3 230.355 3.431 20 0 BGADHN CC(C)=CCN1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000191977014 134581205 /nfs/dbraw/zinc/58/12/05/134581205.db2.gz JAONQLXUMIFSKU-DZGCQCFKSA-N 0 3 230.355 3.431 20 0 BGADHN CC(C)=CCN1C[C@H](C)C[C@H]1c1cccnc1 ZINC000191977020 357818640 /nfs/dbraw/zinc/81/86/40/357818640.db2.gz JAONQLXUMIFSKU-HIFRSBDPSA-N 0 3 230.355 3.431 20 0 BGADHN CC(C)=CCN1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000191977027 357818953 /nfs/dbraw/zinc/81/89/53/357818953.db2.gz JAONQLXUMIFSKU-ZFWWWQNUSA-N 0 3 230.355 3.431 20 0 BGADHN c1cnc(CN(CC2CC2)C2CCCCC2)nc1 ZINC000191987894 357819662 /nfs/dbraw/zinc/81/96/62/357819662.db2.gz YDPRLZHZURBWGE-UHFFFAOYSA-N 0 3 245.370 3.021 20 0 BGADHN CC(C)C[C@@H]1CCCCCN1Cc1ncccn1 ZINC000192037649 357813763 /nfs/dbraw/zinc/81/37/63/357813763.db2.gz TUILWNAQATZKJV-AWEZNQCLSA-N 0 3 247.386 3.267 20 0 BGADHN CC(C)C[C@H]1CCCCCN1Cc1ncccn1 ZINC000192037656 357813363 /nfs/dbraw/zinc/81/33/63/357813363.db2.gz TUILWNAQATZKJV-CQSZACIVSA-N 0 3 247.386 3.267 20 0 BGADHN COc1ccc(Cl)c(CN2CCC[C@H]2C)c1 ZINC000192050101 357814923 /nfs/dbraw/zinc/81/49/23/357814923.db2.gz IPHCRIUSXQAWMT-SNVBAGLBSA-N 0 3 239.746 3.333 20 0 BGADHN COc1ccc(Cl)c(CN2CCC[C@@H]2C)c1 ZINC000192050107 357815123 /nfs/dbraw/zinc/81/51/23/357815123.db2.gz IPHCRIUSXQAWMT-JTQLQIEISA-N 0 3 239.746 3.333 20 0 BGADHN CCC(CC)N(Cc1ncccn1)CC(C)C ZINC000192056305 357815926 /nfs/dbraw/zinc/81/59/26/357815926.db2.gz UZOHSYSXABTIIK-UHFFFAOYSA-N 0 3 235.375 3.123 20 0 BGADHN CC(C)N(Cc1ncccn1)C1CCCCC1 ZINC000192097238 357817776 /nfs/dbraw/zinc/81/77/76/357817776.db2.gz XHIYRUKPCXBYBW-UHFFFAOYSA-N 0 3 233.359 3.020 20 0 BGADHN CC(C)(C)[C@@H]1CCCC[C@@H]1NCc1ncccn1 ZINC000192099857 357818166 /nfs/dbraw/zinc/81/81/66/357818166.db2.gz NSHDQQOLPPTYRZ-OLZOCXBDSA-N 0 3 247.386 3.171 20 0 BGADHN CC(C)(C)[C@H]1CCCC[C@@H]1NCc1ncccn1 ZINC000192099863 357818141 /nfs/dbraw/zinc/81/81/41/357818141.db2.gz NSHDQQOLPPTYRZ-STQMWFEESA-N 0 3 247.386 3.171 20 0 BGADHN CC(C)(C)[C@@H]1CCCC[C@H]1NCc1ncccn1 ZINC000192099867 357817678 /nfs/dbraw/zinc/81/76/78/357817678.db2.gz NSHDQQOLPPTYRZ-CHWSQXEVSA-N 0 3 247.386 3.171 20 0 BGADHN CC(C)(C)[C@H]1CCCC[C@H]1NCc1ncccn1 ZINC000192099871 357817862 /nfs/dbraw/zinc/81/78/62/357817862.db2.gz NSHDQQOLPPTYRZ-QWHCGFSZSA-N 0 3 247.386 3.171 20 0 BGADHN CC(C)[C@H]1CC[C@@H](C)C[C@H]1NCc1ncccn1 ZINC000192164102 357825120 /nfs/dbraw/zinc/82/51/20/357825120.db2.gz ZWXQLIYJXFNJNR-MGPQQGTHSA-N 0 3 247.386 3.027 20 0 BGADHN CC(C)CC[C@H](NCc1ncccn1)C(C)(C)C ZINC000192164730 357825433 /nfs/dbraw/zinc/82/54/33/357825433.db2.gz CRAOGVJFNJNNMP-ZDUSSCGKSA-N 0 3 249.402 3.417 20 0 BGADHN CC(C)CC[C@@H](NCc1ncccn1)C(C)(C)C ZINC000192164737 357825328 /nfs/dbraw/zinc/82/53/28/357825328.db2.gz CRAOGVJFNJNNMP-CYBMUJFWSA-N 0 3 249.402 3.417 20 0 BGADHN C[C@@H]1CCN(Cc2cccs2)CCS1 ZINC000192172523 176175974 /nfs/dbraw/zinc/17/59/74/176175974.db2.gz ZLGGEIHERPZVLP-SNVBAGLBSA-N 0 3 227.398 3.076 20 0 BGADHN C[C@H]1CCN(Cc2cccs2)CCS1 ZINC000192172528 177164827 /nfs/dbraw/zinc/16/48/27/177164827.db2.gz ZLGGEIHERPZVLP-JTQLQIEISA-N 0 3 227.398 3.076 20 0 BGADHN C[C@@H](NCc1ncccn1)[C@@H](C)C1CCCCC1 ZINC000192178432 357825417 /nfs/dbraw/zinc/82/54/17/357825417.db2.gz QQWRIIJRGZZFLL-CHWSQXEVSA-N 0 3 247.386 3.171 20 0 BGADHN C[C@@H](NCc1ncccn1)[C@H](C)C1CCCCC1 ZINC000192178438 357825165 /nfs/dbraw/zinc/82/51/65/357825165.db2.gz QQWRIIJRGZZFLL-QWHCGFSZSA-N 0 3 247.386 3.171 20 0 BGADHN C[C@H](NCc1ncccn1)[C@@H](C)C1CCCCC1 ZINC000192178442 134583065 /nfs/dbraw/zinc/58/30/65/134583065.db2.gz QQWRIIJRGZZFLL-OLZOCXBDSA-N 0 3 247.386 3.171 20 0 BGADHN C[C@@H]([C@H](C)NCc1ncccn1)C1CCCCC1 ZINC000192178448 134583229 /nfs/dbraw/zinc/58/32/29/134583229.db2.gz QQWRIIJRGZZFLL-STQMWFEESA-N 0 3 247.386 3.171 20 0 BGADHN C[C@@H]1CCN(Cc2ccc(F)cc2)CCS1 ZINC000192179343 176174061 /nfs/dbraw/zinc/17/40/61/176174061.db2.gz AELVEJMQTZGMLP-LLVKDONJSA-N 0 3 239.359 3.153 20 0 BGADHN C[C@H]1CCN(Cc2ccc(F)cc2)CCS1 ZINC000192179348 177164086 /nfs/dbraw/zinc/16/40/86/177164086.db2.gz AELVEJMQTZGMLP-NSHDSACASA-N 0 3 239.359 3.153 20 0 BGADHN C[C@@H]1CCN(Cc2cccc(F)c2)CCS1 ZINC000192190325 176176093 /nfs/dbraw/zinc/17/60/93/176176093.db2.gz CZWGGNRAAKGDGU-LLVKDONJSA-N 0 3 239.359 3.153 20 0 BGADHN C[C@H]1CCN(Cc2cccc(F)c2)CCS1 ZINC000192190332 177165546 /nfs/dbraw/zinc/16/55/46/177165546.db2.gz CZWGGNRAAKGDGU-NSHDSACASA-N 0 3 239.359 3.153 20 0 BGADHN C[C@@H]1CCN(Cc2ccccc2F)CCS1 ZINC000192192023 176175192 /nfs/dbraw/zinc/17/51/92/176175192.db2.gz UYQUZWSDANIYDB-LLVKDONJSA-N 0 3 239.359 3.153 20 0 BGADHN C[C@H]1CCN(Cc2ccccc2F)CCS1 ZINC000192192028 177165534 /nfs/dbraw/zinc/16/55/34/177165534.db2.gz UYQUZWSDANIYDB-NSHDSACASA-N 0 3 239.359 3.153 20 0 BGADHN Cc1ccccc1[C@@H](C)N[C@@H](C)c1ccnn1C ZINC000192246399 179321304 /nfs/dbraw/zinc/32/13/04/179321304.db2.gz IYDAFUOTGTYLTN-OLZOCXBDSA-N 0 3 243.354 3.140 20 0 BGADHN Cc1ccccc1[C@H](C)N[C@@H](C)c1ccnn1C ZINC000192246405 179339934 /nfs/dbraw/zinc/33/99/34/179339934.db2.gz IYDAFUOTGTYLTN-STQMWFEESA-N 0 3 243.354 3.140 20 0 BGADHN Cc1ccccc1[C@@H](C)N[C@H](C)c1ccnn1C ZINC000192246410 179322549 /nfs/dbraw/zinc/32/25/49/179322549.db2.gz IYDAFUOTGTYLTN-CHWSQXEVSA-N 0 3 243.354 3.140 20 0 BGADHN Cc1ccccc1[C@H](C)N[C@H](C)c1ccnn1C ZINC000192246415 179339103 /nfs/dbraw/zinc/33/91/03/179339103.db2.gz IYDAFUOTGTYLTN-QWHCGFSZSA-N 0 3 243.354 3.140 20 0 BGADHN Cc1ccc([C@@H](C)N[C@@H](C)c2ccnn2C)cc1 ZINC000192249873 385349639 /nfs/dbraw/zinc/34/96/39/385349639.db2.gz WAHOGMHBJSGLMK-OLZOCXBDSA-N 0 3 243.354 3.140 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H](C)c2ccnn2C)cc1 ZINC000192249877 178895470 /nfs/dbraw/zinc/89/54/70/178895470.db2.gz WAHOGMHBJSGLMK-STQMWFEESA-N 0 3 243.354 3.140 20 0 BGADHN Cc1ccc([C@@H](C)N[C@H](C)c2ccnn2C)cc1 ZINC000192249882 385350298 /nfs/dbraw/zinc/35/02/98/385350298.db2.gz WAHOGMHBJSGLMK-CHWSQXEVSA-N 0 3 243.354 3.140 20 0 BGADHN Cc1ccc([C@H](C)N[C@H](C)c2ccnn2C)cc1 ZINC000192249889 385349090 /nfs/dbraw/zinc/34/90/90/385349090.db2.gz WAHOGMHBJSGLMK-QWHCGFSZSA-N 0 3 243.354 3.140 20 0 BGADHN CC[C@H](N[C@@H](C)c1ccnn1C)c1cccs1 ZINC000192250753 133984570 /nfs/dbraw/zinc/98/45/70/133984570.db2.gz KDVCGCKICPOQQH-QWRGUYRKSA-N 0 3 249.383 3.284 20 0 BGADHN CC[C@@H](N[C@@H](C)c1ccnn1C)c1cccs1 ZINC000192250760 356078316 /nfs/dbraw/zinc/07/83/16/356078316.db2.gz KDVCGCKICPOQQH-WDEREUQCSA-N 0 3 249.383 3.284 20 0 BGADHN CC[C@H](N[C@H](C)c1ccnn1C)c1cccs1 ZINC000192250762 356078459 /nfs/dbraw/zinc/07/84/59/356078459.db2.gz KDVCGCKICPOQQH-MNOVXSKESA-N 0 3 249.383 3.284 20 0 BGADHN CC[C@@H](N[C@H](C)c1ccnn1C)c1cccs1 ZINC000192250768 356078391 /nfs/dbraw/zinc/07/83/91/356078391.db2.gz KDVCGCKICPOQQH-GHMZBOCLSA-N 0 3 249.383 3.284 20 0 BGADHN CC(C)[C@@H](CNCc1cocn1)c1ccccc1 ZINC000192283775 167398638 /nfs/dbraw/zinc/39/86/38/167398638.db2.gz YJRCDRRDMCSCEK-OAHLLOKOSA-N 0 3 244.338 3.204 20 0 BGADHN CC(C)[C@H](CNCc1cocn1)c1ccccc1 ZINC000192283781 386748606 /nfs/dbraw/zinc/74/86/06/386748606.db2.gz YJRCDRRDMCSCEK-HNNXBMFYSA-N 0 3 244.338 3.204 20 0 BGADHN CC(C)=CCN[C@@H]1CCCc2occc21 ZINC000192285164 386751558 /nfs/dbraw/zinc/75/15/58/386751558.db2.gz KDNHOYCPTBYWFQ-GFCCVEGCSA-N 0 3 205.301 3.213 20 0 BGADHN CC(C)=CCN[C@H]1CCCc2occc21 ZINC000192285167 386753582 /nfs/dbraw/zinc/75/35/82/386753582.db2.gz KDNHOYCPTBYWFQ-LBPRGKRZSA-N 0 3 205.301 3.213 20 0 BGADHN CC(C)=CCNc1cccc(CN(C)C)c1 ZINC000192292106 538466841 /nfs/dbraw/zinc/46/68/41/538466841.db2.gz VTZCKSBNRLNKRS-UHFFFAOYSA-N 0 3 218.344 3.126 20 0 BGADHN COc1cc(CNCC=C(C)C)ccc1C ZINC000192298112 386756736 /nfs/dbraw/zinc/75/67/36/386756736.db2.gz CCXWXZZYVJUPQV-UHFFFAOYSA-N 0 3 219.328 3.059 20 0 BGADHN CCOc1ccc(CNCC=C(C)C)cc1F ZINC000192309481 388678162 /nfs/dbraw/zinc/67/81/62/388678162.db2.gz CFXYBMKOQJPTGA-UHFFFAOYSA-N 0 3 237.318 3.280 20 0 BGADHN CC(C)(CCc1ccccc1)NCc1cocn1 ZINC000192311006 386758806 /nfs/dbraw/zinc/75/88/06/386758806.db2.gz MAHXJQDTUCTHCW-UHFFFAOYSA-N 0 3 244.338 3.176 20 0 BGADHN CC[C@H](NCC=C(C)C)c1ccncc1 ZINC000192317979 386762203 /nfs/dbraw/zinc/76/22/03/386762203.db2.gz LDOXXCJJEOIFFT-ZDUSSCGKSA-N 0 3 204.317 3.089 20 0 BGADHN CC[C@@H](NCC=C(C)C)c1ccncc1 ZINC000192317985 170892811 /nfs/dbraw/zinc/89/28/11/170892811.db2.gz LDOXXCJJEOIFFT-CYBMUJFWSA-N 0 3 204.317 3.089 20 0 BGADHN CCCC[C@@H](CCC)CNCc1cocn1 ZINC000192323895 386764196 /nfs/dbraw/zinc/76/41/96/386764196.db2.gz YYDJAZJCAQOGDW-GFCCVEGCSA-N 0 3 224.348 3.371 20 0 BGADHN CCCC[C@H](CCC)CNCc1cocn1 ZINC000192323899 386765066 /nfs/dbraw/zinc/76/50/66/386765066.db2.gz YYDJAZJCAQOGDW-LBPRGKRZSA-N 0 3 224.348 3.371 20 0 BGADHN CC(C)CC1(CNCc2cocn2)CCCC1 ZINC000192324229 386764553 /nfs/dbraw/zinc/76/45/53/386764553.db2.gz IVYDEDJPJWUWKM-UHFFFAOYSA-N 0 3 236.359 3.371 20 0 BGADHN COc1cc(C)ccc1CNCC=C(C)C ZINC000192324978 386765255 /nfs/dbraw/zinc/76/52/55/386765255.db2.gz NZQGYUYANZYHBP-UHFFFAOYSA-N 0 3 219.328 3.059 20 0 BGADHN CC(C)C1CCC(CNCc2cocn2)CC1 ZINC000192327296 388678007 /nfs/dbraw/zinc/67/80/07/388678007.db2.gz YBOBDVFMWUWFFB-UHFFFAOYSA-N 0 3 236.359 3.227 20 0 BGADHN Oc1cccc2c1CCC[C@@H]2NC/C=C/Cl ZINC000192352390 644145223 /nfs/dbraw/zinc/14/52/23/644145223.db2.gz UXZYXKCRKSZIBE-DGDCUBRUSA-N 0 3 237.730 3.112 20 0 BGADHN Oc1cccc2c1CCC[C@H]2NC/C=C/Cl ZINC000192352395 636151193 /nfs/dbraw/zinc/15/11/93/636151193.db2.gz UXZYXKCRKSZIBE-STWLFGJUSA-N 0 3 237.730 3.112 20 0 BGADHN CC(C)=CCN[C@@H]1CCCc2c(O)cccc21 ZINC000192352690 365330325 /nfs/dbraw/zinc/33/03/25/365330325.db2.gz FVSJINGMUJTKII-CQSZACIVSA-N 0 3 231.339 3.325 20 0 BGADHN CC(C)=CCN[C@H]1CCCc2c(O)cccc21 ZINC000192352696 365330207 /nfs/dbraw/zinc/33/02/07/365330207.db2.gz FVSJINGMUJTKII-AWEZNQCLSA-N 0 3 231.339 3.325 20 0 BGADHN CCC(C)(C)CNCc1cccnc1Cl ZINC000192352752 168282205 /nfs/dbraw/zinc/28/22/05/168282205.db2.gz JHAZIQDAGHHJLD-UHFFFAOYSA-N 0 3 226.751 3.261 20 0 BGADHN Oc1cccc2c1CCC[C@@H]2N[C@H]1C=CCCC1 ZINC000192353452 357830003 /nfs/dbraw/zinc/83/00/03/357830003.db2.gz SETRCWWAPPXHQW-WFASDCNBSA-N 0 3 243.350 3.468 20 0 BGADHN Oc1cccc2c1CCC[C@H]2N[C@H]1C=CCCC1 ZINC000192353457 357829848 /nfs/dbraw/zinc/82/98/48/357829848.db2.gz SETRCWWAPPXHQW-SWLSCSKDSA-N 0 3 243.350 3.468 20 0 BGADHN Oc1cccc2c1CCC[C@@H]2N[C@@H]1C=CCCC1 ZINC000192353461 357829730 /nfs/dbraw/zinc/82/97/30/357829730.db2.gz SETRCWWAPPXHQW-DOMZBBRYSA-N 0 3 243.350 3.468 20 0 BGADHN Oc1cccc2c1CCC[C@H]2N[C@@H]1C=CCCC1 ZINC000192353466 357829620 /nfs/dbraw/zinc/82/96/20/357829620.db2.gz SETRCWWAPPXHQW-IUODEOHRSA-N 0 3 243.350 3.468 20 0 BGADHN Cc1csc(CN[C@@H]2CC(C)(C)C[C@@H]2C)n1 ZINC000192390962 356182608 /nfs/dbraw/zinc/18/26/08/356182608.db2.gz QAZKREWGRPTHRY-GXSJLCMTSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1csc(CN[C@H]2CC(C)(C)C[C@@H]2C)n1 ZINC000192390965 356182803 /nfs/dbraw/zinc/18/28/03/356182803.db2.gz QAZKREWGRPTHRY-ONGXEEELSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1csc(CN[C@@H]2CC(C)(C)C[C@H]2C)n1 ZINC000192390968 356182721 /nfs/dbraw/zinc/18/27/21/356182721.db2.gz QAZKREWGRPTHRY-MWLCHTKSSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1csc(CN[C@H]2CC(C)(C)C[C@H]2C)n1 ZINC000192390970 356182735 /nfs/dbraw/zinc/18/27/35/356182735.db2.gz QAZKREWGRPTHRY-KOLCDFICSA-N 0 3 238.400 3.366 20 0 BGADHN C[C@@H]1CC(C)(C)C[C@@H]1NCc1cscn1 ZINC000192391315 133998421 /nfs/dbraw/zinc/99/84/21/133998421.db2.gz YJJLANCOJKXLCU-KOLCDFICSA-N 0 3 224.373 3.057 20 0 BGADHN C[C@H]1CC(C)(C)C[C@@H]1NCc1cscn1 ZINC000192391318 355982355 /nfs/dbraw/zinc/98/23/55/355982355.db2.gz YJJLANCOJKXLCU-ONGXEEELSA-N 0 3 224.373 3.057 20 0 BGADHN C[C@@H]1CC(C)(C)C[C@H]1NCc1cscn1 ZINC000192391321 355982279 /nfs/dbraw/zinc/98/22/79/355982279.db2.gz YJJLANCOJKXLCU-MWLCHTKSSA-N 0 3 224.373 3.057 20 0 BGADHN C[C@H]1CC(C)(C)C[C@H]1NCc1cscn1 ZINC000192391324 355982338 /nfs/dbraw/zinc/98/23/38/355982338.db2.gz YJJLANCOJKXLCU-GXSJLCMTSA-N 0 3 224.373 3.057 20 0 BGADHN C[C@H](CC1CCCCC1)N[C@@H](C)c1cnccn1 ZINC000192518400 388679572 /nfs/dbraw/zinc/67/95/72/388679572.db2.gz WVHQFWOTXOMTNZ-OLZOCXBDSA-N 0 3 247.386 3.486 20 0 BGADHN C[C@H](CC1CCCCC1)N[C@H](C)c1cnccn1 ZINC000192518411 388679709 /nfs/dbraw/zinc/67/97/09/388679709.db2.gz WVHQFWOTXOMTNZ-CHWSQXEVSA-N 0 3 247.386 3.486 20 0 BGADHN CCN(Cc1ccccc1OC(F)F)C1CC1 ZINC000192611440 388680768 /nfs/dbraw/zinc/68/07/68/388680768.db2.gz CTINXIJWAPORTO-UHFFFAOYSA-N 0 3 241.281 3.272 20 0 BGADHN CCN(Cc1cc(F)cc2cccnc21)C1CC1 ZINC000192611467 259392369 /nfs/dbraw/zinc/39/23/69/259392369.db2.gz BYRPVXQQFGCLDL-UHFFFAOYSA-N 0 3 244.313 3.358 20 0 BGADHN Cc1noc(C)c1CN(C)[C@@H]1CCCC[C@@H]1C ZINC000192624576 388680327 /nfs/dbraw/zinc/68/03/27/388680327.db2.gz IKGKLPMABUJLEI-IINYFYTJSA-N 0 3 236.359 3.302 20 0 BGADHN Cc1noc(C)c1CN(C)[C@H]1CCCC[C@@H]1C ZINC000192624591 388680501 /nfs/dbraw/zinc/68/05/01/388680501.db2.gz IKGKLPMABUJLEI-HZMBPMFUSA-N 0 3 236.359 3.302 20 0 BGADHN COc1ccc(CN(C(C)C)C2CC2)cc1F ZINC000192634100 134045385 /nfs/dbraw/zinc/04/53/85/134045385.db2.gz PXPIVGJWNCCQSM-UHFFFAOYSA-N 0 3 237.318 3.207 20 0 BGADHN CN(CCSc1ccccc1F)C1CC1 ZINC000192649331 388681839 /nfs/dbraw/zinc/68/18/39/388681839.db2.gz VOXWLZKAMDFTKR-UHFFFAOYSA-N 0 3 225.332 3.012 20 0 BGADHN COc1ccc([C@H](C)N(C)CCSC)cc1 ZINC000192670946 387521712 /nfs/dbraw/zinc/52/17/12/387521712.db2.gz LYBSYCKWCIDWTP-NSHDSACASA-N 0 3 239.384 3.051 20 0 BGADHN COc1ccc([C@@H](C)N(C)CCSC)cc1 ZINC000192670958 387521874 /nfs/dbraw/zinc/52/18/74/387521874.db2.gz LYBSYCKWCIDWTP-LLVKDONJSA-N 0 3 239.384 3.051 20 0 BGADHN CSCCN(Cc1cccs1)C1CC1 ZINC000192676219 387523206 /nfs/dbraw/zinc/52/32/06/387523206.db2.gz UKTWVVJLWRNOCZ-UHFFFAOYSA-N 0 3 227.398 3.076 20 0 BGADHN Cc1cnc(CNc2ccnc3ccccc32)o1 ZINC000192735468 387533243 /nfs/dbraw/zinc/53/32/43/387533243.db2.gz LJNCXAQODCCAED-UHFFFAOYSA-N 0 3 239.278 3.143 20 0 BGADHN CC(C)N(Cc1ccc(F)c(F)c1)C1CC1 ZINC000192794800 535090750 /nfs/dbraw/zinc/09/07/50/535090750.db2.gz CDESLMSYHWCASC-UHFFFAOYSA-N 0 3 225.282 3.338 20 0 BGADHN COc1ccc(OC)c(CN(C(C)C)C2CC2)c1 ZINC000192795126 175165258 /nfs/dbraw/zinc/16/52/58/175165258.db2.gz NDDHXIKDKQSCTO-UHFFFAOYSA-N 0 3 249.354 3.077 20 0 BGADHN Cc1noc(C)c1CN(CC(C)C)C(C)C ZINC000192848996 386677215 /nfs/dbraw/zinc/67/72/15/386677215.db2.gz VOFIYTWDDYWATQ-UHFFFAOYSA-N 0 3 224.348 3.158 20 0 BGADHN CCC[C@@H](C)N(C)CC(=O)Nc1ccc(C)cc1 ZINC000192882085 388688446 /nfs/dbraw/zinc/68/84/46/388688446.db2.gz DAVSLSDVMNWBED-CYBMUJFWSA-N 0 3 248.370 3.054 20 0 BGADHN CCC[C@H](C)N(C)CC(=O)Nc1ccc(C)cc1 ZINC000192882101 388688188 /nfs/dbraw/zinc/68/81/88/388688188.db2.gz DAVSLSDVMNWBED-ZDUSSCGKSA-N 0 3 248.370 3.054 20 0 BGADHN CCN(CCc1ccccc1)Cc1ccco1 ZINC000192882356 388688274 /nfs/dbraw/zinc/68/82/74/388688274.db2.gz NVMSZSRRIDRWQW-UHFFFAOYSA-N 0 3 229.323 3.344 20 0 BGADHN C[C@@H](C1CC1)N(C)Cc1cc(-c2ccco2)on1 ZINC000192906721 387868098 /nfs/dbraw/zinc/86/80/98/387868098.db2.gz MRZRGHAQLXAIOU-JTQLQIEISA-N 0 3 246.310 3.165 20 0 BGADHN C[C@H](C1CC1)N(C)Cc1cc(-c2ccco2)on1 ZINC000192906740 387868697 /nfs/dbraw/zinc/86/86/97/387868697.db2.gz MRZRGHAQLXAIOU-SNVBAGLBSA-N 0 3 246.310 3.165 20 0 BGADHN COc1ccc(CN(C(C)C)C2CC2)c(OC)c1 ZINC000192910446 134081889 /nfs/dbraw/zinc/08/18/89/134081889.db2.gz VVGYIHAPDJGVQC-UHFFFAOYSA-N 0 3 249.354 3.077 20 0 BGADHN COc1cccc(CN2CCCCCC2)c1F ZINC000192934246 487757208 /nfs/dbraw/zinc/75/72/08/487757208.db2.gz ZVCDJGDEGQQCJP-UHFFFAOYSA-N 0 3 237.318 3.210 20 0 BGADHN COc1cccc(CN2CCC[C@@H](C)C2)c1F ZINC000192934345 491118245 /nfs/dbraw/zinc/11/82/45/491118245.db2.gz GFMBEEQYZACRRB-LLVKDONJSA-N 0 3 237.318 3.066 20 0 BGADHN COc1cccc(CN2CCC[C@H](C)C2)c1F ZINC000192934360 491118204 /nfs/dbraw/zinc/11/82/04/491118204.db2.gz GFMBEEQYZACRRB-NSHDSACASA-N 0 3 237.318 3.066 20 0 BGADHN CCCCN(C)Cc1cccc(OC)c1F ZINC000192934435 491118238 /nfs/dbraw/zinc/11/82/38/491118238.db2.gz NZVUAFYPAMXAMO-UHFFFAOYSA-N 0 3 225.307 3.066 20 0 BGADHN COc1cccc(CN2CCCC[C@H]2C)c1F ZINC000192934643 488232870 /nfs/dbraw/zinc/23/28/70/488232870.db2.gz PGTOTHVZDKDULZ-LLVKDONJSA-N 0 3 237.318 3.209 20 0 BGADHN COc1cccc(CN2CCCC[C@@H]2C)c1F ZINC000192934654 488232864 /nfs/dbraw/zinc/23/28/64/488232864.db2.gz PGTOTHVZDKDULZ-NSHDSACASA-N 0 3 237.318 3.209 20 0 BGADHN COc1cccc(CN(C)C2CCCC2)c1F ZINC000192937712 487761530 /nfs/dbraw/zinc/76/15/30/487761530.db2.gz BKYAUQPEBRZQTM-UHFFFAOYSA-N 0 3 237.318 3.209 20 0 BGADHN CCN(Cc1cccc(OC)c1F)C(C)C ZINC000192939075 644200690 /nfs/dbraw/zinc/20/06/90/644200690.db2.gz MWRFXSGALFSTBE-UHFFFAOYSA-N 0 3 225.307 3.065 20 0 BGADHN COc1cccc(CN(C)CCC(C)C)c1F ZINC000192940293 487809107 /nfs/dbraw/zinc/80/91/07/487809107.db2.gz STXRCXNFLPLSKS-UHFFFAOYSA-N 0 3 239.334 3.312 20 0 BGADHN CCCN(Cc1cccc(OC)c1F)C1CC1 ZINC000192940385 487809219 /nfs/dbraw/zinc/80/92/19/487809219.db2.gz QDODUPFBCWRVCQ-UHFFFAOYSA-N 0 3 237.318 3.209 20 0 BGADHN CCN(Cc1cccc(OC)c1F)CC(C)C ZINC000192940622 487808570 /nfs/dbraw/zinc/80/85/70/487808570.db2.gz LZGJZKVHCYACRZ-UHFFFAOYSA-N 0 3 239.334 3.312 20 0 BGADHN CC[C@@H](C)N(C)Cc1cccc(OC)c1F ZINC000192940776 487808638 /nfs/dbraw/zinc/80/86/38/487808638.db2.gz DRQSWZNSUAVJGI-SNVBAGLBSA-N 0 3 225.307 3.065 20 0 BGADHN CC[C@H](C)N(C)Cc1cccc(OC)c1F ZINC000192940785 487756587 /nfs/dbraw/zinc/75/65/87/487756587.db2.gz DRQSWZNSUAVJGI-JTQLQIEISA-N 0 3 225.307 3.065 20 0 BGADHN COc1cccc(CN(C)[C@@H](C)C2CC2)c1F ZINC000192941174 488232981 /nfs/dbraw/zinc/23/29/81/488232981.db2.gz TVJMJNCLZAPLLC-JTQLQIEISA-N 0 3 237.318 3.065 20 0 BGADHN COc1cccc(CN(C)[C@H](C)C2CC2)c1F ZINC000192941191 488232740 /nfs/dbraw/zinc/23/27/40/488232740.db2.gz TVJMJNCLZAPLLC-SNVBAGLBSA-N 0 3 237.318 3.065 20 0 BGADHN COc1cccc(CN(C(C)C)C2CC2)c1F ZINC000192941626 488232914 /nfs/dbraw/zinc/23/29/14/488232914.db2.gz FNBHGSUXYLIARP-UHFFFAOYSA-N 0 3 237.318 3.207 20 0 BGADHN CC[C@@H](C)CN(C)Cc1cccc(OC)c1F ZINC000192942397 487809086 /nfs/dbraw/zinc/80/90/86/487809086.db2.gz JJANBTFAUUCCJI-LLVKDONJSA-N 0 3 239.334 3.312 20 0 BGADHN CC[C@H](C)CN(C)Cc1cccc(OC)c1F ZINC000192942412 487809388 /nfs/dbraw/zinc/80/93/88/487809388.db2.gz JJANBTFAUUCCJI-NSHDSACASA-N 0 3 239.334 3.312 20 0 BGADHN COc1cccc(CN2CCCC2(C)C)c1F ZINC000192947366 487756622 /nfs/dbraw/zinc/75/66/22/487756622.db2.gz BLPKIIPLZJJZBX-UHFFFAOYSA-N 0 3 237.318 3.209 20 0 BGADHN COc1cccc(CN2CCC(C)(C)C2)c1F ZINC000192952571 487879661 /nfs/dbraw/zinc/87/96/61/487879661.db2.gz RMARBVTXTXZMLQ-UHFFFAOYSA-N 0 3 237.318 3.066 20 0 BGADHN CCN(Cc1cccc(OC)c1F)CC1CC1 ZINC000192953061 487885115 /nfs/dbraw/zinc/88/51/15/487885115.db2.gz FYNSTCSFLBVEQP-UHFFFAOYSA-N 0 3 237.318 3.066 20 0 BGADHN COc1cccc(CN2C[C@@H]3CCC[C@@H]3C2)c1F ZINC000192953946 488232891 /nfs/dbraw/zinc/23/28/91/488232891.db2.gz NKTSSICDAZBNCS-TXEJJXNPSA-N 0 3 249.329 3.066 20 0 BGADHN COc1cccc(CN2C[C@H]3CCC[C@@H]3C2)c1F ZINC000192953957 488233005 /nfs/dbraw/zinc/23/30/05/488233005.db2.gz NKTSSICDAZBNCS-VXGBXAGGSA-N 0 3 249.329 3.066 20 0 BGADHN COc1cccc(CN2C[C@@H]3CCC[C@H]3C2)c1F ZINC000192953971 488232922 /nfs/dbraw/zinc/23/29/22/488232922.db2.gz NKTSSICDAZBNCS-RYUDHWBXSA-N 0 3 249.329 3.066 20 0 BGADHN COc1cccc(CN2CCC3(CCC3)C2)c1F ZINC000192954101 357860663 /nfs/dbraw/zinc/86/06/63/357860663.db2.gz BRMAVMSDCSKRJN-UHFFFAOYSA-N 0 3 249.329 3.210 20 0 BGADHN COc1cccc(CN2CC[C@@H](C)[C@H]2C)c1F ZINC000192959828 488051523 /nfs/dbraw/zinc/05/15/23/488051523.db2.gz JMMOFAHMKMWNMW-GHMZBOCLSA-N 0 3 237.318 3.065 20 0 BGADHN COc1cccc(CN2CC[C@H](C)[C@H]2C)c1F ZINC000192959840 488051389 /nfs/dbraw/zinc/05/13/89/488051389.db2.gz JMMOFAHMKMWNMW-WDEREUQCSA-N 0 3 237.318 3.065 20 0 BGADHN CC[C@@H]1CCN(Cc2cccc(OC)c2F)C1 ZINC000192960821 488051620 /nfs/dbraw/zinc/05/16/20/488051620.db2.gz XJAXADOQSKHRLD-LLVKDONJSA-N 0 3 237.318 3.066 20 0 BGADHN CC[C@H]1CCN(Cc2cccc(OC)c2F)C1 ZINC000192960833 488051855 /nfs/dbraw/zinc/05/18/55/488051855.db2.gz XJAXADOQSKHRLD-NSHDSACASA-N 0 3 237.318 3.066 20 0 BGADHN COc1cccc(CN2[C@H](C)CC[C@@H]2C)c1F ZINC000192960913 488051558 /nfs/dbraw/zinc/05/15/58/488051558.db2.gz ABLJWSNRTZHMQG-PHIMTYICSA-N 0 3 237.318 3.207 20 0 BGADHN COc1cccc(CN2[C@@H](C)CC[C@@H]2C)c1F ZINC000192960925 488051918 /nfs/dbraw/zinc/05/19/18/488051918.db2.gz ABLJWSNRTZHMQG-QWRGUYRKSA-N 0 3 237.318 3.207 20 0 BGADHN COc1cccc(CN2[C@H](C)CC[C@H]2C)c1F ZINC000192960936 488051874 /nfs/dbraw/zinc/05/18/74/488051874.db2.gz ABLJWSNRTZHMQG-GHMZBOCLSA-N 0 3 237.318 3.207 20 0 BGADHN COc1cccc(CN(C)CCC2CC2)c1F ZINC000192961605 488067631 /nfs/dbraw/zinc/06/76/31/488067631.db2.gz UDABNFHAGKJGLB-UHFFFAOYSA-N 0 3 237.318 3.066 20 0 BGADHN CCCN(Cc1ccc(OC)cc1OC)C1CC1 ZINC000192962353 365898746 /nfs/dbraw/zinc/89/87/46/365898746.db2.gz QCFXGWIRKSAVJY-UHFFFAOYSA-N 0 3 249.354 3.078 20 0 BGADHN CCCN1CC=C(c2ccc(F)cc2)CC1 ZINC000192967730 388134457 /nfs/dbraw/zinc/13/44/57/388134457.db2.gz IWFXJQXCRDZJBU-UHFFFAOYSA-N 0 3 219.303 3.325 20 0 BGADHN CC(C)OCCCNCc1sccc1Cl ZINC000192979697 167223191 /nfs/dbraw/zinc/22/31/91/167223191.db2.gz PKPGKUJFTFERME-UHFFFAOYSA-N 0 3 247.791 3.306 20 0 BGADHN C[C@H](NCc1sccc1Cl)C1CC1 ZINC000192983511 386805868 /nfs/dbraw/zinc/80/58/68/386805868.db2.gz WGFNPTLFXCPQDA-ZETCQYMHSA-N 0 3 215.749 3.290 20 0 BGADHN C[C@@H](NCc1sccc1Cl)C1CC1 ZINC000192983526 386806018 /nfs/dbraw/zinc/80/60/18/386806018.db2.gz WGFNPTLFXCPQDA-SSDOTTSWSA-N 0 3 215.749 3.290 20 0 BGADHN CCOCCCCNCc1sccc1Cl ZINC000193012379 170369444 /nfs/dbraw/zinc/36/94/44/170369444.db2.gz IJAVMONEVNVMPU-UHFFFAOYSA-N 0 3 247.791 3.308 20 0 BGADHN Clc1ccsc1CNCC1CCC1 ZINC000193053760 386836226 /nfs/dbraw/zinc/83/62/26/386836226.db2.gz XUTOBNFKPOTIHO-UHFFFAOYSA-N 0 3 215.749 3.291 20 0 BGADHN CCOc1ccc(CN(C)C2CC2)cc1OCC ZINC000193054137 388691496 /nfs/dbraw/zinc/69/14/96/388691496.db2.gz UWJXVQBUYDOZJL-UHFFFAOYSA-N 0 3 249.354 3.078 20 0 BGADHN CCCCOCCNCc1sccc1Cl ZINC000193069012 398326985 /nfs/dbraw/zinc/32/69/85/398326985.db2.gz IEDJUAVXMMZZLB-UHFFFAOYSA-N 0 3 247.791 3.308 20 0 BGADHN CCC(O)(CC)CNCc1sccc1Cl ZINC000193069697 387041762 /nfs/dbraw/zinc/04/17/62/387041762.db2.gz DKOSRVSODSWGGZ-UHFFFAOYSA-N 0 3 247.791 3.042 20 0 BGADHN COCCCCCNCc1sccc1Cl ZINC000193070036 174182889 /nfs/dbraw/zinc/18/28/89/174182889.db2.gz YEBUCUFQDXMNNO-UHFFFAOYSA-N 0 3 247.791 3.308 20 0 BGADHN Clc1ccsc1CNC1CCSCC1 ZINC000193088810 385383381 /nfs/dbraw/zinc/38/33/81/385383381.db2.gz QULGITTUSWSHAP-UHFFFAOYSA-N 0 3 247.816 3.387 20 0 BGADHN CCC(CC)(CO)NCc1sccc1Cl ZINC000193107956 168330315 /nfs/dbraw/zinc/33/03/15/168330315.db2.gz SYHBERDTCMJHCX-UHFFFAOYSA-N 0 3 247.791 3.042 20 0 BGADHN CCC[C@@](C)(CO)NCc1sccc1Cl ZINC000193109673 387094687 /nfs/dbraw/zinc/09/46/87/387094687.db2.gz XTGRIUGVYZLSGQ-NSHDSACASA-N 0 3 247.791 3.042 20 0 BGADHN CCC[C@](C)(CO)NCc1sccc1Cl ZINC000193109685 387093730 /nfs/dbraw/zinc/09/37/30/387093730.db2.gz XTGRIUGVYZLSGQ-LLVKDONJSA-N 0 3 247.791 3.042 20 0 BGADHN CCC[C@@](C)(CO)NCc1cc(Cl)cs1 ZINC000193109706 387094054 /nfs/dbraw/zinc/09/40/54/387094054.db2.gz IUSUNKZYGWANPC-NSHDSACASA-N 0 3 247.791 3.042 20 0 BGADHN CCC[C@](C)(CO)NCc1cc(Cl)cs1 ZINC000193109721 387094925 /nfs/dbraw/zinc/09/49/25/387094925.db2.gz IUSUNKZYGWANPC-LLVKDONJSA-N 0 3 247.791 3.042 20 0 BGADHN CC(C)=CCN1CCC(OCCC(C)C)CC1 ZINC000193112237 388693437 /nfs/dbraw/zinc/69/34/37/388693437.db2.gz LTHDVZQKKMHDKM-UHFFFAOYSA-N 0 3 239.403 3.480 20 0 BGADHN CSCCCNCc1sccc1Cl ZINC000193113828 387117654 /nfs/dbraw/zinc/11/76/54/387117654.db2.gz FVDTXTVSEKHSCB-UHFFFAOYSA-N 0 3 235.805 3.244 20 0 BGADHN CSC[C@H](C)NCc1sccc1Cl ZINC000193114568 387117628 /nfs/dbraw/zinc/11/76/28/387117628.db2.gz DZEDSPDEGZCOPZ-ZETCQYMHSA-N 0 3 235.805 3.243 20 0 BGADHN CSC[C@@H](C)NCc1sccc1Cl ZINC000193114582 387117788 /nfs/dbraw/zinc/11/77/88/387117788.db2.gz DZEDSPDEGZCOPZ-SSDOTTSWSA-N 0 3 235.805 3.243 20 0 BGADHN Clc1ccsc1CNCCC1CC1 ZINC000193130177 539001628 /nfs/dbraw/zinc/00/16/28/539001628.db2.gz PGYOUQRVGKURLZ-UHFFFAOYSA-N 0 3 215.749 3.291 20 0 BGADHN Cc1cnc(CN[C@@H]2CC(C)(C)C[C@@H]2C)s1 ZINC000193139153 346138733 /nfs/dbraw/zinc/13/87/33/346138733.db2.gz IXHBWAMOHHKHLT-GXSJLCMTSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1cnc(CN[C@H]2CC(C)(C)C[C@@H]2C)s1 ZINC000193139165 346139000 /nfs/dbraw/zinc/13/90/00/346139000.db2.gz IXHBWAMOHHKHLT-ONGXEEELSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1cnc(CN[C@@H]2CC(C)(C)C[C@H]2C)s1 ZINC000193139180 346138852 /nfs/dbraw/zinc/13/88/52/346138852.db2.gz IXHBWAMOHHKHLT-MWLCHTKSSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1cnc(CN[C@H]2CC(C)(C)C[C@H]2C)s1 ZINC000193139194 346138696 /nfs/dbraw/zinc/13/86/96/346138696.db2.gz IXHBWAMOHHKHLT-KOLCDFICSA-N 0 3 238.400 3.366 20 0 BGADHN C[C@]1(CNCc2sccc2Cl)CCCO1 ZINC000193144928 387276311 /nfs/dbraw/zinc/27/63/11/387276311.db2.gz CSQKFYMIEMWMSD-LLVKDONJSA-N 0 3 245.775 3.060 20 0 BGADHN C[C@@]1(CNCc2sccc2Cl)CCCO1 ZINC000193144942 387278420 /nfs/dbraw/zinc/27/84/20/387278420.db2.gz CSQKFYMIEMWMSD-NSHDSACASA-N 0 3 245.775 3.060 20 0 BGADHN Clc1ccsc1CNC[C@@H]1CCCS1 ZINC000193146951 205978164 /nfs/dbraw/zinc/97/81/64/205978164.db2.gz LQVFENFUYMPDTE-QMMMGPOBSA-N 0 3 247.816 3.387 20 0 BGADHN Clc1ccsc1CNC[C@H]1CCCS1 ZINC000193146961 387287971 /nfs/dbraw/zinc/28/79/71/387287971.db2.gz LQVFENFUYMPDTE-MRVPVSSYSA-N 0 3 247.816 3.387 20 0 BGADHN CC[C@@](C)(CCO)NCc1sccc1Cl ZINC000193152424 171167619 /nfs/dbraw/zinc/16/76/19/171167619.db2.gz LZGLEIBQTPDOGA-NSHDSACASA-N 0 3 247.791 3.042 20 0 BGADHN CC[C@](C)(CCO)NCc1sccc1Cl ZINC000193152431 387370081 /nfs/dbraw/zinc/37/00/81/387370081.db2.gz LZGLEIBQTPDOGA-LLVKDONJSA-N 0 3 247.791 3.042 20 0 BGADHN CCCNc1ccc(CNCc2cc[nH]c2)cc1 ZINC000193155950 385384368 /nfs/dbraw/zinc/38/43/68/385384368.db2.gz KIQVWACGEGNECF-UHFFFAOYSA-N 0 3 243.354 3.126 20 0 BGADHN CS[C@@H](C)CNCc1sccc1Cl ZINC000193177229 387140426 /nfs/dbraw/zinc/14/04/26/387140426.db2.gz NJSNEGCKXQSWJT-ZETCQYMHSA-N 0 3 235.805 3.243 20 0 BGADHN CS[C@H](C)CNCc1sccc1Cl ZINC000193177240 387140707 /nfs/dbraw/zinc/14/07/07/387140707.db2.gz NJSNEGCKXQSWJT-SSDOTTSWSA-N 0 3 235.805 3.243 20 0 BGADHN CC1(NCc2sccc2Cl)CCOCC1 ZINC000193178394 168063884 /nfs/dbraw/zinc/06/38/84/168063884.db2.gz VVTZXWRJFSLRHZ-UHFFFAOYSA-N 0 3 245.775 3.060 20 0 BGADHN CC1(NCc2sccc2Cl)CCC1 ZINC000193182161 168064055 /nfs/dbraw/zinc/06/40/55/168064055.db2.gz VJPCRDPMRGHUEH-UHFFFAOYSA-N 0 3 215.749 3.434 20 0 BGADHN CC1(NCc2cnc(-c3ccco3)s2)CCC1 ZINC000193182196 168064619 /nfs/dbraw/zinc/06/46/19/168064619.db2.gz YRMXRRMMHAFDJT-UHFFFAOYSA-N 0 3 248.351 3.435 20 0 BGADHN Cc1nc(CN(CC2CCC2)C(C)C)cs1 ZINC000193199654 411314504 /nfs/dbraw/zinc/31/45/04/411314504.db2.gz JFCGPMBOFMMWBN-UHFFFAOYSA-N 0 3 238.400 3.462 20 0 BGADHN Cc1nc(CN(CC2CCC2)C(C)C)oc1C ZINC000193200420 387191173 /nfs/dbraw/zinc/19/11/73/387191173.db2.gz QCJWDDOFQAGROH-UHFFFAOYSA-N 0 3 236.359 3.302 20 0 BGADHN Cc1ncc(CN(CC2CCC2)C(C)C)s1 ZINC000193201439 387178938 /nfs/dbraw/zinc/17/89/38/387178938.db2.gz ADQHRWPZUHARSC-UHFFFAOYSA-N 0 3 238.400 3.462 20 0 BGADHN CC(C)N(Cc1nccs1)CC1CCC1 ZINC000193201507 188352190 /nfs/dbraw/zinc/35/21/90/188352190.db2.gz VWJYOWFUVWUDBD-UHFFFAOYSA-N 0 3 224.373 3.154 20 0 BGADHN Cc1csc(CN(CC2CCC2)C(C)C)n1 ZINC000193201831 387180048 /nfs/dbraw/zinc/18/00/48/387180048.db2.gz FVLHGEAOBFERQF-UHFFFAOYSA-N 0 3 238.400 3.462 20 0 BGADHN OCCCCCCNCc1sccc1Cl ZINC000193203670 183043810 /nfs/dbraw/zinc/04/38/10/183043810.db2.gz CSSQCVURROIDFP-UHFFFAOYSA-N 0 3 247.791 3.044 20 0 BGADHN Clc1ccsc1CN[C@@H]1CCCOCC1 ZINC000193204205 387179937 /nfs/dbraw/zinc/17/99/37/387179937.db2.gz ZEZKVVUALGEWPB-SECBINFHSA-N 0 3 245.775 3.060 20 0 BGADHN Clc1ccsc1CN[C@H]1CCCOCC1 ZINC000193204212 387178089 /nfs/dbraw/zinc/17/80/89/387178089.db2.gz ZEZKVVUALGEWPB-VIFPVBQESA-N 0 3 245.775 3.060 20 0 BGADHN COC1(CNCc2sccc2Cl)CCC1 ZINC000193205852 387180128 /nfs/dbraw/zinc/18/01/28/387180128.db2.gz HSWHKLVJSAPRJL-UHFFFAOYSA-N 0 3 245.775 3.060 20 0 BGADHN COC1(CNCc2cc(Cl)cs2)CCC1 ZINC000193205881 387180027 /nfs/dbraw/zinc/18/00/27/387180027.db2.gz RMJSSWIQGHBKAC-UHFFFAOYSA-N 0 3 245.775 3.060 20 0 BGADHN Cc1noc(C)c1CN(CC1CCC1)C(C)C ZINC000193208643 357871120 /nfs/dbraw/zinc/87/11/20/357871120.db2.gz JMUUXKUTGUZOFZ-UHFFFAOYSA-N 0 3 236.359 3.302 20 0 BGADHN CC(C)N(Cc1nccn1C(C)C)CC1CCC1 ZINC000193211095 387178994 /nfs/dbraw/zinc/17/89/94/387178994.db2.gz QVFKGASDDIEXJX-UHFFFAOYSA-N 0 3 249.402 3.475 20 0 BGADHN CSCCN(Cc1ccccc1)C1CC1 ZINC000193212318 387179796 /nfs/dbraw/zinc/17/97/96/387179796.db2.gz ZMAPXUKEQMJIGX-UHFFFAOYSA-N 0 3 221.369 3.014 20 0 BGADHN Cc1cnc(CN(CC2CCC2)C(C)C)s1 ZINC000193215539 385387646 /nfs/dbraw/zinc/38/76/46/385387646.db2.gz UNDJQWGHDSZZRD-UHFFFAOYSA-N 0 3 238.400 3.462 20 0 BGADHN CC(C)=CCNCc1sccc1Cl ZINC000193243891 385389713 /nfs/dbraw/zinc/38/97/13/385389713.db2.gz OMXANZBIOHPUHC-UHFFFAOYSA-N 0 3 215.749 3.457 20 0 BGADHN CC(C)=CCNCc1cc(Cl)cs1 ZINC000193243928 387346400 /nfs/dbraw/zinc/34/64/00/387346400.db2.gz PJJHJNJLAMTLPW-UHFFFAOYSA-N 0 3 215.749 3.457 20 0 BGADHN CC(C)=CCNCc1cnc(-c2ccco2)s1 ZINC000193243970 385389701 /nfs/dbraw/zinc/38/97/01/385389701.db2.gz LGPXYEXQPSPLAP-UHFFFAOYSA-N 0 3 248.351 3.459 20 0 BGADHN CC(C)=CCC[C@H](C)CCNCc1cc[nH]n1 ZINC000193267460 367102429 /nfs/dbraw/zinc/10/24/29/367102429.db2.gz RCVMOZUOPLUUQF-ZDUSSCGKSA-N 0 3 235.375 3.272 20 0 BGADHN CC(C)=CCC[C@@H](C)CCNCc1cc[nH]n1 ZINC000193267472 367102370 /nfs/dbraw/zinc/10/23/70/367102370.db2.gz RCVMOZUOPLUUQF-CYBMUJFWSA-N 0 3 235.375 3.272 20 0 BGADHN Cc1c2ccccc2oc1[C@@H](C)NCCCCO ZINC000193277313 385390553 /nfs/dbraw/zinc/39/05/53/385390553.db2.gz PESABGVBTXYJGU-GFCCVEGCSA-N 0 3 247.338 3.164 20 0 BGADHN Cc1c2ccccc2oc1[C@H](C)NCCCCO ZINC000193277325 385390594 /nfs/dbraw/zinc/39/05/94/385390594.db2.gz PESABGVBTXYJGU-LBPRGKRZSA-N 0 3 247.338 3.164 20 0 BGADHN COC[C@H](NCC1CC1)c1ccc(Cl)cc1 ZINC000193282128 387203963 /nfs/dbraw/zinc/20/39/63/387203963.db2.gz IWXMYMUCENJNMD-ZDUSSCGKSA-N 0 3 239.746 3.027 20 0 BGADHN COC[C@@H](NCC1CC1)c1ccc(Cl)cc1 ZINC000193282143 387204123 /nfs/dbraw/zinc/20/41/23/387204123.db2.gz IWXMYMUCENJNMD-CYBMUJFWSA-N 0 3 239.746 3.027 20 0 BGADHN COc1ncccc1CN(C)CC1CCCCC1 ZINC000193291291 357872339 /nfs/dbraw/zinc/87/23/39/357872339.db2.gz MIHRSVKRTDTVPK-UHFFFAOYSA-N 0 3 248.370 3.102 20 0 BGADHN C[C@H](NCCC1=CCCCCC1)c1ccnn1C ZINC000193294331 385391960 /nfs/dbraw/zinc/39/19/60/385391960.db2.gz SIVQFKLXIGATPR-ZDUSSCGKSA-N 0 3 247.386 3.351 20 0 BGADHN C[C@@H](NCCC1=CCCCCC1)c1ccnn1C ZINC000193294340 385392914 /nfs/dbraw/zinc/39/29/14/385392914.db2.gz SIVQFKLXIGATPR-CYBMUJFWSA-N 0 3 247.386 3.351 20 0 BGADHN CCN(Cc1cccnc1OC)C1CCCCC1 ZINC000193308255 357874418 /nfs/dbraw/zinc/87/44/18/357874418.db2.gz DWDMYUDAMKQHSK-UHFFFAOYSA-N 0 3 248.370 3.245 20 0 BGADHN COc1ncccc1CN(C)[C@H]1CCC[C@@H](C)C1 ZINC000193309616 357874109 /nfs/dbraw/zinc/87/41/09/357874109.db2.gz HOQRIFQRFADMRL-OCCSQVGLSA-N 0 3 248.370 3.101 20 0 BGADHN COc1ncccc1CN(C)[C@H]1CCC[C@H](C)C1 ZINC000193309625 357874253 /nfs/dbraw/zinc/87/42/53/357874253.db2.gz HOQRIFQRFADMRL-JSGCOSHPSA-N 0 3 248.370 3.101 20 0 BGADHN COc1ncccc1CN(C)[C@@H]1CCC[C@@H](C)C1 ZINC000193309636 357873883 /nfs/dbraw/zinc/87/38/83/357873883.db2.gz HOQRIFQRFADMRL-TZMCWYRMSA-N 0 3 248.370 3.101 20 0 BGADHN COc1ncccc1CN(C)[C@@H]1CCC[C@H](C)C1 ZINC000193309646 357873733 /nfs/dbraw/zinc/87/37/33/357873733.db2.gz HOQRIFQRFADMRL-GXTWGEPZSA-N 0 3 248.370 3.101 20 0 BGADHN CC1(C)CC[C@H](CN[C@@H]2CCCc3occc32)O1 ZINC000193317140 387196936 /nfs/dbraw/zinc/19/69/36/387196936.db2.gz OUQADTLOLMIWKN-DGCLKSJQSA-N 0 3 249.354 3.204 20 0 BGADHN CC1(C)CC[C@@H](CN[C@@H]2CCCc3occc32)O1 ZINC000193317152 387197596 /nfs/dbraw/zinc/19/75/96/387197596.db2.gz OUQADTLOLMIWKN-WCQYABFASA-N 0 3 249.354 3.204 20 0 BGADHN CC1(C)CC[C@H](CN[C@H]2CCCc3occc32)O1 ZINC000193317162 387196255 /nfs/dbraw/zinc/19/62/55/387196255.db2.gz OUQADTLOLMIWKN-YPMHNXCESA-N 0 3 249.354 3.204 20 0 BGADHN CC1(C)CC[C@@H](CN[C@H]2CCCc3occc32)O1 ZINC000193317173 387196345 /nfs/dbraw/zinc/19/63/45/387196345.db2.gz OUQADTLOLMIWKN-AAEUAGOBSA-N 0 3 249.354 3.204 20 0 BGADHN CN(CCC1CCCCC1)Cc1ccnc(N)c1 ZINC000193327740 385392415 /nfs/dbraw/zinc/39/24/15/385392415.db2.gz AWSFOXHLCZGYQK-UHFFFAOYSA-N 0 3 247.386 3.066 20 0 BGADHN CSC1(CN[C@@H](C)c2ccccc2F)CC1 ZINC000193330840 385392607 /nfs/dbraw/zinc/39/26/07/385392607.db2.gz KBEYVHNDPOAIFS-JTQLQIEISA-N 0 3 239.359 3.372 20 0 BGADHN CSC1(CN[C@H](C)c2ccccc2F)CC1 ZINC000193330854 385393141 /nfs/dbraw/zinc/39/31/41/385393141.db2.gz KBEYVHNDPOAIFS-SNVBAGLBSA-N 0 3 239.359 3.372 20 0 BGADHN CC(C)=CCN[C@@H]1CCCNc2ccccc21 ZINC000193351326 385394815 /nfs/dbraw/zinc/39/48/15/385394815.db2.gz NPOCXAAAKLGCDK-OAHLLOKOSA-N 0 3 230.355 3.489 20 0 BGADHN CC(C)=CCN[C@H]1CCCNc2ccccc21 ZINC000193351337 188174551 /nfs/dbraw/zinc/17/45/51/188174551.db2.gz NPOCXAAAKLGCDK-HNNXBMFYSA-N 0 3 230.355 3.489 20 0 BGADHN COc1ncccc1CN1CCCC[C@H]1C(C)C ZINC000193351718 398110656 /nfs/dbraw/zinc/11/06/56/398110656.db2.gz FXBFMISJKIZXMI-AWEZNQCLSA-N 0 3 248.370 3.101 20 0 BGADHN COc1ncccc1CN1CCCC[C@@H]1C(C)C ZINC000193351731 387056833 /nfs/dbraw/zinc/05/68/33/387056833.db2.gz FXBFMISJKIZXMI-CQSZACIVSA-N 0 3 248.370 3.101 20 0 BGADHN CCC[C@]1(C)CCCN(Cc2ccnc(N)c2)C1 ZINC000193365707 385393994 /nfs/dbraw/zinc/39/39/94/385393994.db2.gz YSXHHQSIPHTYRS-OAHLLOKOSA-N 0 3 247.386 3.066 20 0 BGADHN CCC[C@@]1(C)CCCN(Cc2ccnc(N)c2)C1 ZINC000193365720 385393872 /nfs/dbraw/zinc/39/38/72/385393872.db2.gz YSXHHQSIPHTYRS-HNNXBMFYSA-N 0 3 247.386 3.066 20 0 BGADHN c1nc(CN2CCC[C@@H]2C2CCCC2)cs1 ZINC000193424322 357925758 /nfs/dbraw/zinc/92/57/58/357925758.db2.gz CFJBSFYGGWOOLQ-CYBMUJFWSA-N 0 3 236.384 3.298 20 0 BGADHN c1nc(CN2CCC[C@H]2C2CCCC2)cs1 ZINC000193424338 357925726 /nfs/dbraw/zinc/92/57/26/357925726.db2.gz CFJBSFYGGWOOLQ-ZDUSSCGKSA-N 0 3 236.384 3.298 20 0 BGADHN Cc1ncc(CN(C)C2CCC(C)CC2)s1 ZINC000193477696 388706229 /nfs/dbraw/zinc/70/62/29/388706229.db2.gz BNTOWQJBHWQFPF-UHFFFAOYSA-N 0 3 238.400 3.462 20 0 BGADHN Cc1nc(CN(C)[C@@H]2CCCC[C@@H]2C)oc1C ZINC000193482906 367179608 /nfs/dbraw/zinc/17/96/08/367179608.db2.gz YGONIWSLVCHPHD-GXFFZTMASA-N 0 3 236.359 3.302 20 0 BGADHN Cc1nc(CN(C)[C@H]2CCCC[C@@H]2C)oc1C ZINC000193482920 367179552 /nfs/dbraw/zinc/17/95/52/367179552.db2.gz YGONIWSLVCHPHD-GWCFXTLKSA-N 0 3 236.359 3.302 20 0 BGADHN Cc1ncc(CN([C@@H](C)C2CC2)C2CC2)s1 ZINC000193484475 388706587 /nfs/dbraw/zinc/70/65/87/388706587.db2.gz DLGRGRQVQFSGBI-VIFPVBQESA-N 0 3 236.384 3.214 20 0 BGADHN Cc1ncc(CN([C@H](C)C2CC2)C2CC2)s1 ZINC000193484491 388705674 /nfs/dbraw/zinc/70/56/74/388705674.db2.gz DLGRGRQVQFSGBI-SECBINFHSA-N 0 3 236.384 3.214 20 0 BGADHN Cc1ncc(CN(C)[C@@H]2CCC[C@H](C)C2)s1 ZINC000193484775 388707024 /nfs/dbraw/zinc/70/70/24/388707024.db2.gz WWANUFOBWQDOBN-CMPLNLGQSA-N 0 3 238.400 3.462 20 0 BGADHN Cc1ncc(CN(C)[C@H]2CCC[C@H](C)C2)s1 ZINC000193484791 388706259 /nfs/dbraw/zinc/70/62/59/388706259.db2.gz WWANUFOBWQDOBN-JQWIXIFHSA-N 0 3 238.400 3.462 20 0 BGADHN CCC[C@@H](C)N(C)Cc1cnc(C)s1 ZINC000193486024 387540773 /nfs/dbraw/zinc/54/07/73/387540773.db2.gz YXGQWMDBTQEPQD-SECBINFHSA-N 0 3 212.362 3.072 20 0 BGADHN CCC[C@H](C)N(C)Cc1cnc(C)s1 ZINC000193486034 387539645 /nfs/dbraw/zinc/53/96/45/387539645.db2.gz YXGQWMDBTQEPQD-VIFPVBQESA-N 0 3 212.362 3.072 20 0 BGADHN COC[C@H](C)N(C)Cc1csc2ccccc12 ZINC000193488436 388706970 /nfs/dbraw/zinc/70/69/70/388706970.db2.gz VRLQXLINYMQINZ-NSHDSACASA-N 0 3 249.379 3.368 20 0 BGADHN COC[C@@H](C)N(C)Cc1csc2ccccc12 ZINC000193488445 388706425 /nfs/dbraw/zinc/70/64/25/388706425.db2.gz VRLQXLINYMQINZ-LLVKDONJSA-N 0 3 249.379 3.368 20 0 BGADHN COc1ncccc1CN(C)[C@H]1CCCC[C@H]1C ZINC000193570081 388709366 /nfs/dbraw/zinc/70/93/66/388709366.db2.gz WFEKQGRTSHVACE-OCCSQVGLSA-N 0 3 248.370 3.101 20 0 BGADHN COc1ncccc1CN(C)[C@H]1CCCC[C@@H]1C ZINC000193570093 388709080 /nfs/dbraw/zinc/70/90/80/388709080.db2.gz WFEKQGRTSHVACE-JSGCOSHPSA-N 0 3 248.370 3.101 20 0 BGADHN COc1ncccc1CN(C)[C@@H]1CCCC[C@H]1C ZINC000193570107 388709167 /nfs/dbraw/zinc/70/91/67/388709167.db2.gz WFEKQGRTSHVACE-TZMCWYRMSA-N 0 3 248.370 3.101 20 0 BGADHN COc1ncccc1CN(C)[C@@H]1CCCC[C@@H]1C ZINC000193570122 388709240 /nfs/dbraw/zinc/70/92/40/388709240.db2.gz WFEKQGRTSHVACE-GXTWGEPZSA-N 0 3 248.370 3.101 20 0 BGADHN COc1ncccc1CN(CC1CCC1)C(C)C ZINC000193584141 388709463 /nfs/dbraw/zinc/70/94/63/388709463.db2.gz NSDCUNJMHSWAPX-UHFFFAOYSA-N 0 3 248.370 3.101 20 0 BGADHN C=Cn1cc(CN(CCCC)CCCC)cn1 ZINC000193592561 387797900 /nfs/dbraw/zinc/79/79/00/387797900.db2.gz UXJYSKMOIOKTLI-UHFFFAOYSA-N 0 3 235.375 3.386 20 0 BGADHN C[C@H](NCCCOC(F)F)c1ccccc1F ZINC000193608679 259607154 /nfs/dbraw/zinc/60/71/54/259607154.db2.gz KPPYCLJKOCOXRW-VIFPVBQESA-N 0 3 247.260 3.106 20 0 BGADHN C[C@@H](NCCCOC(F)F)c1ccccc1F ZINC000193608691 388710289 /nfs/dbraw/zinc/71/02/89/388710289.db2.gz KPPYCLJKOCOXRW-SECBINFHSA-N 0 3 247.260 3.106 20 0 BGADHN CN(CCSCC1CC1)Cc1ccccc1 ZINC000193614951 385403692 /nfs/dbraw/zinc/40/36/92/385403692.db2.gz JGFFFISGMMWHBG-UHFFFAOYSA-N 0 3 235.396 3.262 20 0 BGADHN CN(CCSCC(F)F)Cc1ccccc1 ZINC000193616605 385404230 /nfs/dbraw/zinc/40/42/30/385404230.db2.gz XLQUPWVHBSYSNF-UHFFFAOYSA-N 0 3 245.338 3.117 20 0 BGADHN CCCSCCN(C)Cc1ccccc1 ZINC000193617525 387798147 /nfs/dbraw/zinc/79/81/47/387798147.db2.gz AGQHBXVLMKRPGB-UHFFFAOYSA-N 0 3 223.385 3.262 20 0 BGADHN C[C@@H](CCc1ccccc1)N1CCOC(C)(C)C1 ZINC000193618426 367195853 /nfs/dbraw/zinc/19/58/53/367195853.db2.gz OYBOWLDVFCTSEM-AWEZNQCLSA-N 0 3 247.382 3.119 20 0 BGADHN C[C@H](CCc1ccccc1)N1CCOC(C)(C)C1 ZINC000193618443 367195929 /nfs/dbraw/zinc/19/59/29/367195929.db2.gz OYBOWLDVFCTSEM-CQSZACIVSA-N 0 3 247.382 3.119 20 0 BGADHN C[C@@H](c1ccccc1)N(C)C[C@@H]1CCC=CO1 ZINC000193627561 176020805 /nfs/dbraw/zinc/02/08/05/176020805.db2.gz KATVSKFZUYHEKG-ZFWWWQNUSA-N 0 3 231.339 3.372 20 0 BGADHN C[C@H](c1ccccc1)N(C)C[C@@H]1CCC=CO1 ZINC000193627572 177039482 /nfs/dbraw/zinc/03/94/82/177039482.db2.gz KATVSKFZUYHEKG-HIFRSBDPSA-N 0 3 231.339 3.372 20 0 BGADHN CN(CCSCCCF)Cc1ccccc1 ZINC000193627895 385403749 /nfs/dbraw/zinc/40/37/49/385403749.db2.gz VKLRGSTUHQYSEX-UHFFFAOYSA-N 0 3 241.375 3.211 20 0 BGADHN CC(C)SCCN(C)Cc1ccccc1 ZINC000193629518 388711736 /nfs/dbraw/zinc/71/17/36/388711736.db2.gz IOLOQJXDTILGGD-UHFFFAOYSA-N 0 3 223.385 3.260 20 0 BGADHN CCN(Cc1cccs1)C[C@@H]1CCC=CO1 ZINC000193631965 347400419 /nfs/dbraw/zinc/40/04/19/347400419.db2.gz MTSFTDSYGXUEHW-LBPRGKRZSA-N 0 3 237.368 3.263 20 0 BGADHN CCN(Cc1cccs1)C[C@H]1CCC=CO1 ZINC000193631982 347400192 /nfs/dbraw/zinc/40/01/92/347400192.db2.gz MTSFTDSYGXUEHW-GFCCVEGCSA-N 0 3 237.368 3.263 20 0 BGADHN CCc1ccc(CNCC2(SC)CCC2)o1 ZINC000193642660 385403629 /nfs/dbraw/zinc/40/36/29/385403629.db2.gz FMPCLKVRPHJQMW-UHFFFAOYSA-N 0 3 239.384 3.217 20 0 BGADHN COc1cccc(CNCC2(C3CC3)CC2)c1F ZINC000193644612 487700784 /nfs/dbraw/zinc/70/07/84/487700784.db2.gz GUCQTKWQAUEBNG-UHFFFAOYSA-N 0 3 249.329 3.114 20 0 BGADHN C=Cn1cc(CN(C)C2CCCCCC2)cn1 ZINC000193645789 188352218 /nfs/dbraw/zinc/35/22/18/188352218.db2.gz NWDYRUVKWPPWPV-UHFFFAOYSA-N 0 3 233.359 3.138 20 0 BGADHN CSC1(CNCc2ccccc2F)CCC1 ZINC000193648943 385406297 /nfs/dbraw/zinc/40/62/97/385406297.db2.gz LGXYEMGEUFMVEP-UHFFFAOYSA-N 0 3 239.359 3.201 20 0 BGADHN CSC1(CNCc2cc3ccccc3o2)CC1 ZINC000193655998 385407470 /nfs/dbraw/zinc/40/74/70/385407470.db2.gz KINIWRRMOQMSBF-UHFFFAOYSA-N 0 3 247.363 3.418 20 0 BGADHN CSC1(CNCc2ccc(Cl)s2)CC1 ZINC000193657380 387800029 /nfs/dbraw/zinc/80/00/29/387800029.db2.gz APZWCTOXUQWPIA-UHFFFAOYSA-N 0 3 247.816 3.387 20 0 BGADHN CSC1(CNCc2ccccc2Cl)CC1 ZINC000193661845 387799238 /nfs/dbraw/zinc/79/92/38/387799238.db2.gz ZBCSKCQDXCKQMS-UHFFFAOYSA-N 0 3 241.787 3.325 20 0 BGADHN FC(F)OCCCNCc1ccccc1Cl ZINC000193663198 387799606 /nfs/dbraw/zinc/79/96/06/387799606.db2.gz NTQGULIBUBZTCA-UHFFFAOYSA-N 0 3 249.688 3.059 20 0 BGADHN CC[C@@H]1CN(CC[C@@H](C)c2ccccc2)CCO1 ZINC000193664756 385407541 /nfs/dbraw/zinc/40/75/41/385407541.db2.gz GAOJWVRVBSBOME-GDBMZVCRSA-N 0 3 247.382 3.291 20 0 BGADHN CC[C@H]1CN(CC[C@@H](C)c2ccccc2)CCO1 ZINC000193664771 387800678 /nfs/dbraw/zinc/80/06/78/387800678.db2.gz GAOJWVRVBSBOME-ZBFHGGJFSA-N 0 3 247.382 3.291 20 0 BGADHN C[C@@H](CCN1CCSCC1)c1ccccc1 ZINC000193668666 387801628 /nfs/dbraw/zinc/80/16/28/387801628.db2.gz LOTLGVZJHHBPRD-ZDUSSCGKSA-N 0 3 235.396 3.229 20 0 BGADHN C[C@H](CCN1CCSCC1)c1ccccc1 ZINC000193668684 387801694 /nfs/dbraw/zinc/80/16/94/387801694.db2.gz LOTLGVZJHHBPRD-CYBMUJFWSA-N 0 3 235.396 3.229 20 0 BGADHN COC[C@H](NC(C)C)c1ccc(Cl)cc1 ZINC000193670336 387801529 /nfs/dbraw/zinc/80/15/29/387801529.db2.gz WBIZGIDQZGFDAR-LBPRGKRZSA-N 0 3 227.735 3.026 20 0 BGADHN COC[C@@H](NC(C)C)c1ccc(Cl)cc1 ZINC000193670346 387801331 /nfs/dbraw/zinc/80/13/31/387801331.db2.gz WBIZGIDQZGFDAR-GFCCVEGCSA-N 0 3 227.735 3.026 20 0 BGADHN CCCCN[C@@H](COC)c1ccc(Cl)cc1 ZINC000193676919 323366668 /nfs/dbraw/zinc/36/66/68/323366668.db2.gz UQJKBSHCUXCMMW-ZDUSSCGKSA-N 0 3 241.762 3.417 20 0 BGADHN CCCCN[C@H](COC)c1ccc(Cl)cc1 ZINC000193676931 323366872 /nfs/dbraw/zinc/36/68/72/323366872.db2.gz UQJKBSHCUXCMMW-CYBMUJFWSA-N 0 3 241.762 3.417 20 0 BGADHN c1csc(CN(C[C@@H]2CCC=CO2)C2CC2)c1 ZINC000193684387 188004348 /nfs/dbraw/zinc/00/43/48/188004348.db2.gz YKYIHBJKVQIGAD-ZDUSSCGKSA-N 0 3 249.379 3.405 20 0 BGADHN c1csc(CN(C[C@H]2CCC=CO2)C2CC2)c1 ZINC000193684408 385407106 /nfs/dbraw/zinc/40/71/06/385407106.db2.gz YKYIHBJKVQIGAD-CYBMUJFWSA-N 0 3 249.379 3.405 20 0 BGADHN Cc1ccc(CN(C)C2CC2)cc1Cl ZINC000193699121 387802246 /nfs/dbraw/zinc/80/22/46/387802246.db2.gz OSFYWXXFWPNRMA-UHFFFAOYSA-N 0 3 209.720 3.243 20 0 BGADHN C=Cn1cc(CN(CCCCC)C(C)C)cn1 ZINC000193702323 387803004 /nfs/dbraw/zinc/80/30/04/387803004.db2.gz FBGXAYJVASCMNB-UHFFFAOYSA-N 0 3 235.375 3.384 20 0 BGADHN COc1cccc2c1CCN(CC=C(C)C)CC2 ZINC000193706403 367205662 /nfs/dbraw/zinc/20/56/62/367205662.db2.gz FLVLTIHRVJYVET-UHFFFAOYSA-N 0 3 245.366 3.062 20 0 BGADHN C[C@@H](c1cccs1)N(C)C[C@@H]1CCC=CO1 ZINC000193714640 176032491 /nfs/dbraw/zinc/03/24/91/176032491.db2.gz DLMJOPGBHIHIRB-RYUDHWBXSA-N 0 3 237.368 3.434 20 0 BGADHN C[C@H](c1cccs1)N(C)C[C@@H]1CCC=CO1 ZINC000193714654 177048539 /nfs/dbraw/zinc/04/85/39/177048539.db2.gz DLMJOPGBHIHIRB-NEPJUHHUSA-N 0 3 237.368 3.434 20 0 BGADHN C=Cn1cc(CN(CC)CC(CC)CC)cn1 ZINC000193717840 387802161 /nfs/dbraw/zinc/80/21/61/387802161.db2.gz BNJCDYYJTJOHQV-UHFFFAOYSA-N 0 3 235.375 3.242 20 0 BGADHN C[C@H](CCN1C[C@@H](C)OC[C@H]1C)c1ccccc1 ZINC000193722314 387803272 /nfs/dbraw/zinc/80/32/72/387803272.db2.gz XYWRTRVYSXHUHA-RBSFLKMASA-N 0 3 247.382 3.289 20 0 BGADHN C[C@@H](C1CC1)N(C)Cc1cc(F)ccc1F ZINC000193725762 367206871 /nfs/dbraw/zinc/20/68/71/367206871.db2.gz BEPCMEYCFLRQFO-VIFPVBQESA-N 0 3 225.282 3.195 20 0 BGADHN C[C@H](C1CC1)N(C)Cc1cc(F)ccc1F ZINC000193725780 367206652 /nfs/dbraw/zinc/20/66/52/367206652.db2.gz BEPCMEYCFLRQFO-SECBINFHSA-N 0 3 225.282 3.195 20 0 BGADHN C[C@@H](c1ccc(F)c(F)c1)N1CCCC1 ZINC000193730203 388715169 /nfs/dbraw/zinc/71/51/69/388715169.db2.gz SZBCIKVNZAJYTG-VIFPVBQESA-N 0 3 211.255 3.122 20 0 BGADHN CC[C@@H](COC)NCc1ccc(C)c(Cl)c1 ZINC000193735964 387211084 /nfs/dbraw/zinc/21/10/84/387211084.db2.gz PZTYJGMUGSLNDX-LBPRGKRZSA-N 0 3 241.762 3.163 20 0 BGADHN CC[C@H](COC)NCc1ccc(C)c(Cl)c1 ZINC000193735983 385411174 /nfs/dbraw/zinc/41/11/74/385411174.db2.gz PZTYJGMUGSLNDX-GFCCVEGCSA-N 0 3 241.762 3.163 20 0 BGADHN Cc1ccc(CNCCOC(C)C)cc1Cl ZINC000193737265 385410852 /nfs/dbraw/zinc/41/08/52/385410852.db2.gz WYIKNONSMJNMAW-UHFFFAOYSA-N 0 3 241.762 3.163 20 0 BGADHN COCC(C)(C)NCc1ccc(C)c(Cl)c1 ZINC000193737349 174082967 /nfs/dbraw/zinc/08/29/67/174082967.db2.gz ZAWQSSDMRDAACY-UHFFFAOYSA-N 0 3 241.762 3.163 20 0 BGADHN CCN(CC)[C@@H](C)c1ccc(F)c(F)c1 ZINC000193738300 388714948 /nfs/dbraw/zinc/71/49/48/388714948.db2.gz IBSQZTUIOKAZHV-VIFPVBQESA-N 0 3 213.271 3.368 20 0 BGADHN CCN(CC)[C@H](C)c1ccc(F)c(F)c1 ZINC000193738316 388714381 /nfs/dbraw/zinc/71/43/81/388714381.db2.gz IBSQZTUIOKAZHV-SECBINFHSA-N 0 3 213.271 3.368 20 0 BGADHN CCC1(CNCc2cccc(OC)c2F)CC1 ZINC000193738604 487756487 /nfs/dbraw/zinc/75/64/87/487756487.db2.gz DIQDALVRPQZHJZ-UHFFFAOYSA-N 0 3 237.318 3.114 20 0 BGADHN CC[C@@H]1COCCN1CC[C@@H](C)c1ccccc1 ZINC000193760485 387803818 /nfs/dbraw/zinc/80/38/18/387803818.db2.gz VEAPRDMTBJLTER-GDBMZVCRSA-N 0 3 247.382 3.291 20 0 BGADHN CC[C@H]1COCCN1CC[C@@H](C)c1ccccc1 ZINC000193760499 387805268 /nfs/dbraw/zinc/80/52/68/387805268.db2.gz VEAPRDMTBJLTER-ZBFHGGJFSA-N 0 3 247.382 3.291 20 0 BGADHN C[C@@H](c1ccc(F)cc1F)N(C)CC1CC1 ZINC000193762740 388715020 /nfs/dbraw/zinc/71/50/20/388715020.db2.gz NVEBSXMLUHBGRZ-VIFPVBQESA-N 0 3 225.282 3.368 20 0 BGADHN C[C@H](c1ccc(F)cc1F)N(C)CC1CC1 ZINC000193762759 388715204 /nfs/dbraw/zinc/71/52/04/388715204.db2.gz NVEBSXMLUHBGRZ-SECBINFHSA-N 0 3 225.282 3.368 20 0 BGADHN COC[C@H](C)N(C)Cc1ccc(C)c(Cl)c1 ZINC000193776683 398029368 /nfs/dbraw/zinc/02/93/68/398029368.db2.gz AKCWNYMKQPQKMG-NSHDSACASA-N 0 3 241.762 3.115 20 0 BGADHN COC[C@@H](C)N(C)Cc1ccc(C)c(Cl)c1 ZINC000193776705 398029617 /nfs/dbraw/zinc/02/96/17/398029617.db2.gz AKCWNYMKQPQKMG-LLVKDONJSA-N 0 3 241.762 3.115 20 0 BGADHN C[C@@H](c1ccco1)N(C[C@@H]1CCC=CO1)C1CC1 ZINC000193799499 634291704 /nfs/dbraw/zinc/29/17/04/634291704.db2.gz OIZLQZJYUDZMBJ-JSGCOSHPSA-N 0 3 247.338 3.498 20 0 BGADHN C[C@H](c1ccco1)N(C[C@@H]1CCC=CO1)C1CC1 ZINC000193799515 644281998 /nfs/dbraw/zinc/28/19/98/644281998.db2.gz OIZLQZJYUDZMBJ-OCCSQVGLSA-N 0 3 247.338 3.498 20 0 BGADHN CSC1(CN[C@@H](C)c2ccco2)CCC1 ZINC000193804332 398029721 /nfs/dbraw/zinc/02/97/21/398029721.db2.gz DMTSOZMPXPRZGR-JTQLQIEISA-N 0 3 225.357 3.216 20 0 BGADHN CSC1(CN[C@H](C)c2ccco2)CCC1 ZINC000193804352 398029405 /nfs/dbraw/zinc/02/94/05/398029405.db2.gz DMTSOZMPXPRZGR-SNVBAGLBSA-N 0 3 225.357 3.216 20 0 BGADHN COCCCN(C)Cc1ccc(C)c(Cl)c1 ZINC000193805749 398029440 /nfs/dbraw/zinc/02/94/40/398029440.db2.gz FPFKHJVHNQTROH-UHFFFAOYSA-N 0 3 241.762 3.117 20 0 BGADHN CSC1(CN[C@@H](C)c2nccs2)CCC1 ZINC000193805864 398029504 /nfs/dbraw/zinc/02/95/04/398029504.db2.gz HAOBYSSTDHHYTC-VIFPVBQESA-N 0 3 242.413 3.079 20 0 BGADHN CSC1(CN[C@H](C)c2nccs2)CCC1 ZINC000193805884 398029331 /nfs/dbraw/zinc/02/93/31/398029331.db2.gz HAOBYSSTDHHYTC-SECBINFHSA-N 0 3 242.413 3.079 20 0 BGADHN CSC1(CN[C@@H](C)c2ccccn2)CCC1 ZINC000193810640 385412598 /nfs/dbraw/zinc/41/25/98/385412598.db2.gz RXIKFSCXFJIDBD-NSHDSACASA-N 0 3 236.384 3.018 20 0 BGADHN CSC1(CN[C@H](C)c2ccccn2)CCC1 ZINC000193810657 385413052 /nfs/dbraw/zinc/41/30/52/385413052.db2.gz RXIKFSCXFJIDBD-LLVKDONJSA-N 0 3 236.384 3.018 20 0 BGADHN CSC1(CN[C@@H](C)c2ccoc2)CCC1 ZINC000193811894 367213055 /nfs/dbraw/zinc/21/30/55/367213055.db2.gz BUXYKNDFTIEGAF-JTQLQIEISA-N 0 3 225.357 3.216 20 0 BGADHN CSC1(CN[C@H](C)c2ccoc2)CCC1 ZINC000193811906 367212544 /nfs/dbraw/zinc/21/25/44/367212544.db2.gz BUXYKNDFTIEGAF-SNVBAGLBSA-N 0 3 225.357 3.216 20 0 BGADHN COc1cccc(CNCC2(C)CCC2)c1F ZINC000193813574 488236154 /nfs/dbraw/zinc/23/61/54/488236154.db2.gz ODKXKPAOAXOYRU-UHFFFAOYSA-N 0 3 237.318 3.114 20 0 BGADHN CCc1ccc([C@@H](C)NCC2(SC)CC2)o1 ZINC000193813845 387810243 /nfs/dbraw/zinc/81/02/43/387810243.db2.gz SHIPZBUSKAZOGH-SNVBAGLBSA-N 0 3 239.384 3.388 20 0 BGADHN CCc1ccc([C@H](C)NCC2(SC)CC2)o1 ZINC000193813869 387809794 /nfs/dbraw/zinc/80/97/94/387809794.db2.gz SHIPZBUSKAZOGH-JTQLQIEISA-N 0 3 239.384 3.388 20 0 BGADHN CSC1(CN[C@H](C)c2ccc(C)o2)CC1 ZINC000193815497 387810608 /nfs/dbraw/zinc/81/06/08/387810608.db2.gz HSNGRWFXMPAORQ-SNVBAGLBSA-N 0 3 225.357 3.134 20 0 BGADHN CSC1(CN[C@@H](C)c2ccc(C)o2)CC1 ZINC000193815512 387810292 /nfs/dbraw/zinc/81/02/92/387810292.db2.gz HSNGRWFXMPAORQ-JTQLQIEISA-N 0 3 225.357 3.134 20 0 BGADHN CSC1(CN[C@@H]2CCCc3occc32)CC1 ZINC000193821784 385413000 /nfs/dbraw/zinc/41/30/00/385413000.db2.gz HXCALLJIWREQEM-LLVKDONJSA-N 0 3 237.368 3.142 20 0 BGADHN CSC1(CN[C@H]2CCCc3occc32)CC1 ZINC000193821802 385412729 /nfs/dbraw/zinc/41/27/29/385412729.db2.gz HXCALLJIWREQEM-NSHDSACASA-N 0 3 237.368 3.142 20 0 BGADHN C=Cn1cc(CN2CCC(C(C)(C)C)CC2)cn1 ZINC000193827024 387808944 /nfs/dbraw/zinc/80/89/44/387808944.db2.gz YAPAKDOUFIIEAQ-UHFFFAOYSA-N 0 3 247.386 3.242 20 0 BGADHN CCCN(CCC)Cc1cn2c(cccc2C)n1 ZINC000193838006 388716742 /nfs/dbraw/zinc/71/67/42/388716742.db2.gz VHSDRANBBFRAMM-UHFFFAOYSA-N 0 3 245.370 3.265 20 0 BGADHN C=Cn1cc(CN(C)CCC2CCCCC2)cn1 ZINC000193838536 387807165 /nfs/dbraw/zinc/80/71/65/387807165.db2.gz SUSJXUZBRHQKIY-UHFFFAOYSA-N 0 3 247.386 3.386 20 0 BGADHN Cc1ccc(CN(C)C[C@@H]2CCC=CO2)s1 ZINC000193872512 385414732 /nfs/dbraw/zinc/41/47/32/385414732.db2.gz PROFJBPPKUAAQY-LBPRGKRZSA-N 0 3 237.368 3.181 20 0 BGADHN Cc1ccc(CN(C)C[C@H]2CCC=CO2)s1 ZINC000193872536 385414721 /nfs/dbraw/zinc/41/47/21/385414721.db2.gz PROFJBPPKUAAQY-GFCCVEGCSA-N 0 3 237.368 3.181 20 0 BGADHN C=Cn1cc(CN([C@H](C)[C@H](C)CC)C2CC2)cn1 ZINC000193886096 387805814 /nfs/dbraw/zinc/80/58/14/387805814.db2.gz RDFRBFVSJQCZLO-CHWSQXEVSA-N 0 3 247.386 3.383 20 0 BGADHN C=Cn1cc(CN([C@H](C)[C@@H](C)CC)C2CC2)cn1 ZINC000193886112 387805919 /nfs/dbraw/zinc/80/59/19/387805919.db2.gz RDFRBFVSJQCZLO-QWHCGFSZSA-N 0 3 247.386 3.383 20 0 BGADHN C=Cn1cc(CN([C@@H](C)[C@H](C)CC)C2CC2)cn1 ZINC000193886123 387806353 /nfs/dbraw/zinc/80/63/53/387806353.db2.gz RDFRBFVSJQCZLO-OLZOCXBDSA-N 0 3 247.386 3.383 20 0 BGADHN C=Cn1cc(CN([C@@H](C)[C@@H](C)CC)C2CC2)cn1 ZINC000193886139 387806293 /nfs/dbraw/zinc/80/62/93/387806293.db2.gz RDFRBFVSJQCZLO-STQMWFEESA-N 0 3 247.386 3.383 20 0 BGADHN COC[C@H](C)N(C)Cc1ccc2ccccc2c1 ZINC000193890426 388469491 /nfs/dbraw/zinc/46/94/91/388469491.db2.gz WFWKUQGKTGVHJG-ZDUSSCGKSA-N 0 3 243.350 3.307 20 0 BGADHN COC[C@@H](C)N(C)Cc1ccc2ccccc2c1 ZINC000193890441 388469292 /nfs/dbraw/zinc/46/92/92/388469292.db2.gz WFWKUQGKTGVHJG-CYBMUJFWSA-N 0 3 243.350 3.307 20 0 BGADHN COC[C@H](C)N(C)Cc1ccc(C(C)C)cc1 ZINC000193891658 367223763 /nfs/dbraw/zinc/22/37/63/367223763.db2.gz GAUARGYYRDXSOX-ZDUSSCGKSA-N 0 3 235.371 3.277 20 0 BGADHN COC[C@@H](C)N(C)Cc1ccc(C(C)C)cc1 ZINC000193891672 367223689 /nfs/dbraw/zinc/22/36/89/367223689.db2.gz GAUARGYYRDXSOX-CYBMUJFWSA-N 0 3 235.371 3.277 20 0 BGADHN CSCCN(Cc1ccco1)C1CCCC1 ZINC000193918624 347513172 /nfs/dbraw/zinc/51/31/72/347513172.db2.gz ABMSOQPDBGTZMO-UHFFFAOYSA-N 0 3 239.384 3.387 20 0 BGADHN COc1cccc(CNCCC2=CCCC2)c1F ZINC000193923280 487908517 /nfs/dbraw/zinc/90/85/17/487908517.db2.gz FKQKDQPJBRKEMS-UHFFFAOYSA-N 0 3 249.329 3.424 20 0 BGADHN C[C@@H](c1cccc(O)c1)N(C)C[C@@H]1CCC=CO1 ZINC000193930999 176018800 /nfs/dbraw/zinc/01/88/00/176018800.db2.gz PMKLRYRGIWDAKH-WFASDCNBSA-N 0 3 247.338 3.078 20 0 BGADHN C[C@H](c1cccc(O)c1)N(C)C[C@@H]1CCC=CO1 ZINC000193931026 177037975 /nfs/dbraw/zinc/03/79/75/177037975.db2.gz PMKLRYRGIWDAKH-DOMZBBRYSA-N 0 3 247.338 3.078 20 0 BGADHN Cc1ncc(CN(C)CC2CCCC2)s1 ZINC000193932403 387811840 /nfs/dbraw/zinc/81/18/40/387811840.db2.gz MMKMTYUGUKUEPH-UHFFFAOYSA-N 0 3 224.373 3.074 20 0 BGADHN C[C@H](NC1CC1)c1cc(Br)cs1 ZINC000193937397 188351533 /nfs/dbraw/zinc/35/15/33/188351533.db2.gz VWXXBEYSYQRPBH-LURJTMIESA-N 0 3 246.173 3.324 20 0 BGADHN C[C@@H](NC1CC1)c1cc(Br)cs1 ZINC000193937410 385417598 /nfs/dbraw/zinc/41/75/98/385417598.db2.gz VWXXBEYSYQRPBH-ZCFIWIBFSA-N 0 3 246.173 3.324 20 0 BGADHN CC[C@@H](C)N[C@@H](COC)c1ccc(Cl)cc1 ZINC000193940870 387814039 /nfs/dbraw/zinc/81/40/39/387814039.db2.gz UCHUAUGZOFESRI-MFKMUULPSA-N 0 3 241.762 3.416 20 0 BGADHN CC[C@H](C)N[C@@H](COC)c1ccc(Cl)cc1 ZINC000193940887 387813233 /nfs/dbraw/zinc/81/32/33/387813233.db2.gz UCHUAUGZOFESRI-GWCFXTLKSA-N 0 3 241.762 3.416 20 0 BGADHN CC[C@@H](C)N[C@H](COC)c1ccc(Cl)cc1 ZINC000193940897 387813149 /nfs/dbraw/zinc/81/31/49/387813149.db2.gz UCHUAUGZOFESRI-ZWNOBZJWSA-N 0 3 241.762 3.416 20 0 BGADHN CC[C@H](C)N[C@H](COC)c1ccc(Cl)cc1 ZINC000193940914 385419492 /nfs/dbraw/zinc/41/94/92/385419492.db2.gz UCHUAUGZOFESRI-GXFFZTMASA-N 0 3 241.762 3.416 20 0 BGADHN COc1ccccc1CN(C(C)C)C1CC1 ZINC000193949433 206001094 /nfs/dbraw/zinc/00/10/94/206001094.db2.gz CPGRJBRJMWWWCY-UHFFFAOYSA-N 0 3 219.328 3.068 20 0 BGADHN CSCCN(Cc1cccc(F)c1)C1CC1 ZINC000193959933 367228348 /nfs/dbraw/zinc/22/83/48/367228348.db2.gz UMDJJGDDPRULEQ-UHFFFAOYSA-N 0 3 239.359 3.153 20 0 BGADHN C[C@H](CCN1CCO[C@@H](C)[C@H]1C)c1ccccc1 ZINC000193961966 387813278 /nfs/dbraw/zinc/81/32/78/387813278.db2.gz NFPRJTYQSBFEGX-KFWWJZLASA-N 0 3 247.382 3.289 20 0 BGADHN C[C@H](CCN1CCO[C@@H](C)[C@@H]1C)c1ccccc1 ZINC000193961977 206000276 /nfs/dbraw/zinc/00/02/76/206000276.db2.gz NFPRJTYQSBFEGX-ILXRZTDVSA-N 0 3 247.382 3.289 20 0 BGADHN C[C@H](CCN1CCO[C@H](C)[C@H]1C)c1ccccc1 ZINC000193961990 206001464 /nfs/dbraw/zinc/00/14/64/206001464.db2.gz NFPRJTYQSBFEGX-RBSFLKMASA-N 0 3 247.382 3.289 20 0 BGADHN C[C@H](CCN1CCO[C@H](C)[C@@H]1C)c1ccccc1 ZINC000193962002 206001055 /nfs/dbraw/zinc/00/10/55/206001055.db2.gz NFPRJTYQSBFEGX-QLFBSQMISA-N 0 3 247.382 3.289 20 0 BGADHN C=Cn1cc(CN2CCC[C@@H](C(C)C)CC2)cn1 ZINC000193966862 206001154 /nfs/dbraw/zinc/00/11/54/206001154.db2.gz FZOIRTJQWJNYFM-OAHLLOKOSA-N 0 3 247.386 3.242 20 0 BGADHN C=Cn1cc(CN2CCC[C@H](C(C)C)CC2)cn1 ZINC000193966879 206001322 /nfs/dbraw/zinc/00/13/22/206001322.db2.gz FZOIRTJQWJNYFM-HNNXBMFYSA-N 0 3 247.386 3.242 20 0 BGADHN C=Cn1cc(CN2CCC[C@H]3CCCC[C@H]32)cn1 ZINC000193976154 187315025 /nfs/dbraw/zinc/31/50/25/187315025.db2.gz VSIRIUDKPDHOBC-HUUCEWRRSA-N 0 3 245.370 3.138 20 0 BGADHN C=Cn1cc(CN(C)C2CCC(C)(C)CC2)cn1 ZINC000193979218 387813130 /nfs/dbraw/zinc/81/31/30/387813130.db2.gz DCDKTNOKFLMNLM-UHFFFAOYSA-N 0 3 247.386 3.384 20 0 BGADHN C=Cn1cc(CN2CCC3(C2)CCCCC3)cn1 ZINC000194005625 188175445 /nfs/dbraw/zinc/17/54/45/188175445.db2.gz JEYGWFZMVMRLCN-UHFFFAOYSA-N 0 3 245.370 3.140 20 0 BGADHN C=Cn1cc(CN2CCC[C@@H](CC(C)C)C2)cn1 ZINC000194018104 206001688 /nfs/dbraw/zinc/00/16/88/206001688.db2.gz IXQHZBCOMYGKQJ-AWEZNQCLSA-N 0 3 247.386 3.242 20 0 BGADHN C=Cn1cc(CN2CCC[C@H](CC(C)C)C2)cn1 ZINC000194018122 206000691 /nfs/dbraw/zinc/00/06/91/206000691.db2.gz IXQHZBCOMYGKQJ-CQSZACIVSA-N 0 3 247.386 3.242 20 0 BGADHN CCc1ccc([C@@H](C)NCCCOC(F)F)o1 ZINC000194024698 259613931 /nfs/dbraw/zinc/61/39/31/259613931.db2.gz XSUKWKDNWKRJGX-SECBINFHSA-N 0 3 247.285 3.122 20 0 BGADHN CCc1ccc([C@H](C)NCCCOC(F)F)o1 ZINC000194024708 388721217 /nfs/dbraw/zinc/72/12/17/388721217.db2.gz XSUKWKDNWKRJGX-VIFPVBQESA-N 0 3 247.285 3.122 20 0 BGADHN C[C@@H]1CN(C[C@@H]2CCC=CO2)[C@@H]1c1ccccc1 ZINC000194052761 176297920 /nfs/dbraw/zinc/29/79/20/176297920.db2.gz GTPGPAGVTZBNFS-KBMXLJTQSA-N 0 3 243.350 3.372 20 0 BGADHN C[C@H]1CN(C[C@@H]2CCC=CO2)[C@@H]1c1ccccc1 ZINC000194052777 177258124 /nfs/dbraw/zinc/25/81/24/177258124.db2.gz GTPGPAGVTZBNFS-BPUTZDHNSA-N 0 3 243.350 3.372 20 0 BGADHN CSCCN1CCC[C@@H]1c1cccc(F)c1 ZINC000194071874 387870064 /nfs/dbraw/zinc/87/00/64/387870064.db2.gz DSNJKBQRDAYVJZ-CYBMUJFWSA-N 0 3 239.359 3.326 20 0 BGADHN CSCCN1CCC[C@H]1c1cccc(F)c1 ZINC000194071885 387871494 /nfs/dbraw/zinc/87/14/94/387871494.db2.gz DSNJKBQRDAYVJZ-ZDUSSCGKSA-N 0 3 239.359 3.326 20 0 BGADHN CC(=O)CCN(C)Cc1ccc(C(C)C)cc1 ZINC000194078328 644296645 /nfs/dbraw/zinc/29/66/45/644296645.db2.gz HNOFMUMJXAWHSE-UHFFFAOYSA-N 0 3 233.355 3.221 20 0 BGADHN CC(C)=CCN1CCCN(c2ccccc2)CC1 ZINC000194082350 388723241 /nfs/dbraw/zinc/72/32/41/388723241.db2.gz SKJZGHLDYLMVQA-UHFFFAOYSA-N 0 3 244.382 3.165 20 0 BGADHN CCN(Cc1cccc(F)c1F)C(C)C ZINC000194083491 388723283 /nfs/dbraw/zinc/72/32/83/388723283.db2.gz UNWNAIBCCYFSTO-UHFFFAOYSA-N 0 3 213.271 3.195 20 0 BGADHN CCN(Cc1ccc(F)c(F)c1)C(C)C ZINC000194086392 388722446 /nfs/dbraw/zinc/72/24/46/388722446.db2.gz ZSURQEYLNOVYRO-UHFFFAOYSA-N 0 3 213.271 3.195 20 0 BGADHN CCN(Cc1nc2ccccc2nc1C)C(C)C ZINC000194086483 388477360 /nfs/dbraw/zinc/47/73/60/388477360.db2.gz OPQRJGMFACHWKE-UHFFFAOYSA-N 0 3 243.354 3.169 20 0 BGADHN CCOc1ccccc1CN(CC)C(C)C ZINC000194093165 367247213 /nfs/dbraw/zinc/24/72/13/367247213.db2.gz XBVSXDOJTAFOGU-UHFFFAOYSA-N 0 3 221.344 3.316 20 0 BGADHN CCN(Cc1nc2ccccc2o1)C(C)C ZINC000194093288 388723086 /nfs/dbraw/zinc/72/30/86/388723086.db2.gz LWGQHOYZJZAOAN-UHFFFAOYSA-N 0 3 218.300 3.058 20 0 BGADHN CCN(Cc1cnn(-c2ccccc2)c1)C(C)C ZINC000194095148 388723166 /nfs/dbraw/zinc/72/31/66/388723166.db2.gz JYHYUPYKLORPKR-UHFFFAOYSA-N 0 3 243.354 3.103 20 0 BGADHN CCN(Cc1cc(F)ccc1F)C(C)C ZINC000194097258 367248314 /nfs/dbraw/zinc/24/83/14/367248314.db2.gz VUMUEKSTRCFUBD-UHFFFAOYSA-N 0 3 213.271 3.195 20 0 BGADHN CC(C)CN(Cc1cn2ccccc2n1)C(C)C ZINC000194173070 367261782 /nfs/dbraw/zinc/26/17/82/367261782.db2.gz VFJMOTXNAYJNMA-UHFFFAOYSA-N 0 3 245.370 3.201 20 0 BGADHN CCC(CC)NCc1nc(-c2ccccc2)c[nH]1 ZINC000194217897 206004073 /nfs/dbraw/zinc/00/40/73/206004073.db2.gz IOAHIDCCWXHRPJ-UHFFFAOYSA-N 0 3 243.354 3.355 20 0 BGADHN CC(C)CCNCc1nc(-c2ccccc2)c[nH]1 ZINC000194218062 206004515 /nfs/dbraw/zinc/00/45/15/206004515.db2.gz DRWBBYBSSSOEOV-UHFFFAOYSA-N 0 3 243.354 3.212 20 0 BGADHN CCCCCNCc1nc(-c2ccccc2)c[nH]1 ZINC000194218187 206004405 /nfs/dbraw/zinc/00/44/05/206004405.db2.gz RBYHPNQUAIALFW-UHFFFAOYSA-N 0 3 243.354 3.357 20 0 BGADHN CC(C)[C@@H](C)NCc1nc(-c2ccccc2)c[nH]1 ZINC000194223978 206004886 /nfs/dbraw/zinc/00/48/86/206004886.db2.gz JPBGUCBMAVDDIH-GFCCVEGCSA-N 0 3 243.354 3.211 20 0 BGADHN CC(C)[C@H](C)NCc1nc(-c2ccccc2)c[nH]1 ZINC000194223995 206004277 /nfs/dbraw/zinc/00/42/77/206004277.db2.gz JPBGUCBMAVDDIH-LBPRGKRZSA-N 0 3 243.354 3.211 20 0 BGADHN C[C@H](CC1CCCCC1)N[C@@H](C)c1nccn1C ZINC000194250965 388727828 /nfs/dbraw/zinc/72/78/28/388727828.db2.gz YZSLSSTVUXYQDO-OLZOCXBDSA-N 0 3 249.402 3.430 20 0 BGADHN C[C@H](CC1CCCCC1)N[C@H](C)c1nccn1C ZINC000194250977 388728001 /nfs/dbraw/zinc/72/80/01/388728001.db2.gz YZSLSSTVUXYQDO-CHWSQXEVSA-N 0 3 249.402 3.430 20 0 BGADHN CC(C)(C)CNCc1nc(-c2ccccc2)c[nH]1 ZINC000194257404 206004624 /nfs/dbraw/zinc/00/46/24/206004624.db2.gz JHJQLFQZCAUXRM-UHFFFAOYSA-N 0 3 243.354 3.212 20 0 BGADHN FC(F)(F)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000194271764 367268144 /nfs/dbraw/zinc/26/81/44/367268144.db2.gz CYOOJHSVFXYJFV-GFCCVEGCSA-N 0 3 243.272 3.461 20 0 BGADHN CCN1CC=C(c2c[nH]c3cc(F)ccc23)CC1 ZINC000194273541 384615870 /nfs/dbraw/zinc/61/58/70/384615870.db2.gz PYDOEOHNNICOBN-UHFFFAOYSA-N 0 3 244.313 3.416 20 0 BGADHN CCC(C)(C)NCc1nc(-c2ccccc2)c[nH]1 ZINC000194276089 206005554 /nfs/dbraw/zinc/00/55/54/206005554.db2.gz UTNBFTAGKPCIMH-UHFFFAOYSA-N 0 3 243.354 3.355 20 0 BGADHN Fc1ccc2c(c1)N(Cc1cscn1)CCC2 ZINC000194277690 367270915 /nfs/dbraw/zinc/27/09/15/367270915.db2.gz GVRHAAGPQYACEY-UHFFFAOYSA-N 0 3 248.326 3.235 20 0 BGADHN CCN(CC)Cc1cnc(-c2ccco2)s1 ZINC000194297973 385429538 /nfs/dbraw/zinc/42/95/38/385429538.db2.gz RFESTCUZDPIMPZ-UHFFFAOYSA-N 0 3 236.340 3.245 20 0 BGADHN CCN(CC)Cc1cc(Cl)cs1 ZINC000194298013 361213586 /nfs/dbraw/zinc/21/35/86/361213586.db2.gz XPYMIYVETUJOSM-UHFFFAOYSA-N 0 3 203.738 3.243 20 0 BGADHN CC(C)N(C)Cc1cnc(-c2ccco2)s1 ZINC000194300766 188005796 /nfs/dbraw/zinc/00/57/96/188005796.db2.gz UMNPHUFXHULLQH-UHFFFAOYSA-N 0 3 236.340 3.243 20 0 BGADHN CC(C)CCN(C)[C@@H](C)c1cccnc1 ZINC000194315491 367278972 /nfs/dbraw/zinc/27/89/72/367278972.db2.gz IWKLTOYVVROENF-LBPRGKRZSA-N 0 3 206.333 3.121 20 0 BGADHN CC(C)CCN(C)[C@H](C)c1cccnc1 ZINC000194315504 367278689 /nfs/dbraw/zinc/27/86/89/367278689.db2.gz IWKLTOYVVROENF-GFCCVEGCSA-N 0 3 206.333 3.121 20 0 BGADHN CCCN(C)Cc1cnc(-c2ccco2)s1 ZINC000194324380 169080529 /nfs/dbraw/zinc/08/05/29/169080529.db2.gz AWRPSQFXSVHCSU-UHFFFAOYSA-N 0 3 236.340 3.245 20 0 BGADHN CCCN(C)Cc1cc(Cl)cs1 ZINC000194324420 169081387 /nfs/dbraw/zinc/08/13/87/169081387.db2.gz PRYZPGQADUZYGM-UHFFFAOYSA-N 0 3 203.738 3.243 20 0 BGADHN CN(Cc1cc(Cl)cs1)[C@@H]1CCSC1 ZINC000194328307 385428596 /nfs/dbraw/zinc/42/85/96/385428596.db2.gz OUCWDOIRZMIUTN-SECBINFHSA-N 0 3 247.816 3.339 20 0 BGADHN CN(Cc1cc(Cl)cs1)[C@H]1CCSC1 ZINC000194328320 385428568 /nfs/dbraw/zinc/42/85/68/385428568.db2.gz OUCWDOIRZMIUTN-VIFPVBQESA-N 0 3 247.816 3.339 20 0 BGADHN CCN(Cc1cc(Cl)cs1)C1CC1 ZINC000194329571 361218047 /nfs/dbraw/zinc/21/80/47/361218047.db2.gz WCIUPGBZOQGPJP-UHFFFAOYSA-N 0 3 215.749 3.386 20 0 BGADHN C=Cn1cc(CN[C@H](C)c2ccccc2C)cn1 ZINC000194343163 188351980 /nfs/dbraw/zinc/35/19/80/188351980.db2.gz KFECZRKHXVVBNE-CYBMUJFWSA-N 0 3 241.338 3.143 20 0 BGADHN Clc1ccsc1CN1C[C@H]2CC[C@@H]1C2 ZINC000194348013 385431374 /nfs/dbraw/zinc/43/13/74/385431374.db2.gz TZDLSHVJQWAQKW-DTWKUNHWSA-N 0 3 227.760 3.386 20 0 BGADHN CN(Cc1cnc(-c2ccco2)s1)CC1CC1 ZINC000194348551 385431152 /nfs/dbraw/zinc/43/11/52/385431152.db2.gz PAHJBJDRESDROY-UHFFFAOYSA-N 0 3 248.351 3.245 20 0 BGADHN CN(Cc1cc(Cl)cs1)CC1CC1 ZINC000194348627 385431643 /nfs/dbraw/zinc/43/16/43/385431643.db2.gz GAVKSVCMPSIYFG-UHFFFAOYSA-N 0 3 215.749 3.243 20 0 BGADHN C=Cn1cc(CN[C@H](C)c2ccc(C)cc2)cn1 ZINC000194349707 187316371 /nfs/dbraw/zinc/31/63/71/187316371.db2.gz BPKNRJCRNVYZCW-CYBMUJFWSA-N 0 3 241.338 3.143 20 0 BGADHN C=Cn1cc(CN[C@@H](C)c2ccc(C)cc2)cn1 ZINC000194349721 188351631 /nfs/dbraw/zinc/35/16/31/188351631.db2.gz BPKNRJCRNVYZCW-ZDUSSCGKSA-N 0 3 241.338 3.143 20 0 BGADHN C=Cn1cc(CN[C@@H](CC)c2cccs2)cn1 ZINC000194351978 188230663 /nfs/dbraw/zinc/23/06/63/188230663.db2.gz JFUZKQHHMNRTND-LBPRGKRZSA-N 0 3 247.367 3.286 20 0 BGADHN C=Cn1cc(CN[C@H](CC)c2cccs2)cn1 ZINC000194351992 188058662 /nfs/dbraw/zinc/05/86/62/188058662.db2.gz JFUZKQHHMNRTND-GFCCVEGCSA-N 0 3 247.367 3.286 20 0 BGADHN CCOCCN(CC)Cc1cc(Cl)cs1 ZINC000194358238 259397538 /nfs/dbraw/zinc/39/75/38/259397538.db2.gz JQNDUFQCJCOLPZ-UHFFFAOYSA-N 0 3 247.791 3.260 20 0 BGADHN COc1cc(CN[C@H]2C=CCCC2)ccc1C ZINC000194364799 206088811 /nfs/dbraw/zinc/08/88/11/206088811.db2.gz ITHMMQAKBYOHGP-AWEZNQCLSA-N 0 3 231.339 3.202 20 0 BGADHN COc1cc(CN[C@@H]2C=CCCC2)ccc1C ZINC000194364814 206088590 /nfs/dbraw/zinc/08/85/90/206088590.db2.gz ITHMMQAKBYOHGP-CQSZACIVSA-N 0 3 231.339 3.202 20 0 BGADHN CCN(Cc1cc(C)sc1C)C1CC1 ZINC000194377097 398121223 /nfs/dbraw/zinc/12/12/23/398121223.db2.gz QSYLQQBHHZOJPR-UHFFFAOYSA-N 0 3 209.358 3.349 20 0 BGADHN C[C@@H]1CCCN1Cc1cnc(-c2ccco2)s1 ZINC000194392812 176110109 /nfs/dbraw/zinc/11/01/09/176110109.db2.gz WCUVCSOHWZFYHI-SNVBAGLBSA-N 0 3 248.351 3.387 20 0 BGADHN C[C@H]1CCCN1Cc1cnc(-c2ccco2)s1 ZINC000194392828 177110795 /nfs/dbraw/zinc/11/07/95/177110795.db2.gz WCUVCSOHWZFYHI-JTQLQIEISA-N 0 3 248.351 3.387 20 0 BGADHN C[C@@H]1CCCN1Cc1sccc1Cl ZINC000194392845 206088393 /nfs/dbraw/zinc/08/83/93/206088393.db2.gz SNEMCRJJDRJCBX-MRVPVSSYSA-N 0 3 215.749 3.386 20 0 BGADHN C[C@H]1CCCN1Cc1sccc1Cl ZINC000194392857 206089155 /nfs/dbraw/zinc/08/91/55/206089155.db2.gz SNEMCRJJDRJCBX-QMMMGPOBSA-N 0 3 215.749 3.386 20 0 BGADHN C[C@@H]1CCCN1Cc1cc(Cl)cs1 ZINC000194392877 206088529 /nfs/dbraw/zinc/08/85/29/206088529.db2.gz OXKHGAPTWFUVEL-MRVPVSSYSA-N 0 3 215.749 3.386 20 0 BGADHN C[C@H]1CCCN1Cc1cc(Cl)cs1 ZINC000194392894 206086785 /nfs/dbraw/zinc/08/67/85/206086785.db2.gz OXKHGAPTWFUVEL-QMMMGPOBSA-N 0 3 215.749 3.386 20 0 BGADHN CC1(NCc2nc(-c3ccccc3)c[nH]2)CCC1 ZINC000194396417 347539087 /nfs/dbraw/zinc/53/90/87/347539087.db2.gz GWYCRLHJCSFJDD-UHFFFAOYSA-N 0 3 241.338 3.109 20 0 BGADHN CN(Cc1cnc(-c2ccco2)s1)C1CCC1 ZINC000194402923 385433125 /nfs/dbraw/zinc/43/31/25/385433125.db2.gz FBAMOYKGNNEPBE-UHFFFAOYSA-N 0 3 248.351 3.387 20 0 BGADHN CN(Cc1cc(Cl)cs1)C1CCC1 ZINC000194402973 385434080 /nfs/dbraw/zinc/43/40/80/385434080.db2.gz HMGDTTJMWWITCO-UHFFFAOYSA-N 0 3 215.749 3.386 20 0 BGADHN CSCCN(C)Cc1cc(Cl)cs1 ZINC000194405477 206090336 /nfs/dbraw/zinc/09/03/36/206090336.db2.gz RGILYYMWIYTFNI-UHFFFAOYSA-N 0 3 235.805 3.196 20 0 BGADHN C=Cn1cc(CNCCC2=CCCCCC2)cn1 ZINC000194419576 367285252 /nfs/dbraw/zinc/28/52/52/367285252.db2.gz JRNCYEWEKFXYSI-UHFFFAOYSA-N 0 3 245.370 3.354 20 0 BGADHN CCO[C@@H](CNCc1ccco1)c1ccccc1 ZINC000194463263 385437093 /nfs/dbraw/zinc/43/70/93/385437093.db2.gz VBNQWIRDRNLQGY-HNNXBMFYSA-N 0 3 245.322 3.147 20 0 BGADHN CCO[C@H](CNCc1ccco1)c1ccccc1 ZINC000194463281 385437138 /nfs/dbraw/zinc/43/71/38/385437138.db2.gz VBNQWIRDRNLQGY-OAHLLOKOSA-N 0 3 245.322 3.147 20 0 BGADHN Fc1cccc(C2(NC[C@@H]3CCC=CO3)CC2)c1 ZINC000194463962 385436972 /nfs/dbraw/zinc/43/69/72/385436972.db2.gz WEZRMZDLXJLDSV-AWEZNQCLSA-N 0 3 247.313 3.097 20 0 BGADHN Fc1cccc(C2(NC[C@H]3CCC=CO3)CC2)c1 ZINC000194463984 385436965 /nfs/dbraw/zinc/43/69/65/385436965.db2.gz WEZRMZDLXJLDSV-CQSZACIVSA-N 0 3 247.313 3.097 20 0 BGADHN Fc1ccccc1C1(NC[C@@H]2CCC=CO2)CC1 ZINC000194471641 181009973 /nfs/dbraw/zinc/00/99/73/181009973.db2.gz OMMUQGQWQMJVGG-LBPRGKRZSA-N 0 3 247.313 3.097 20 0 BGADHN Fc1ccccc1C1(NC[C@H]2CCC=CO2)CC1 ZINC000194471655 181010602 /nfs/dbraw/zinc/01/06/02/181010602.db2.gz OMMUQGQWQMJVGG-GFCCVEGCSA-N 0 3 247.313 3.097 20 0 BGADHN C[C@@H](c1ccccc1)N1C[C@@H](C)OC(C)(C)C1 ZINC000194501152 387890021 /nfs/dbraw/zinc/89/00/21/387890021.db2.gz SYVBBCSJEPJRFM-OLZOCXBDSA-N 0 3 233.355 3.247 20 0 BGADHN C[C@@H](c1ccccc1)N1C[C@H](C)OC(C)(C)C1 ZINC000194501169 387890363 /nfs/dbraw/zinc/89/03/63/387890363.db2.gz SYVBBCSJEPJRFM-STQMWFEESA-N 0 3 233.355 3.247 20 0 BGADHN CSCCN(C)[C@@H](C)c1cccc(F)c1 ZINC000194544652 367303339 /nfs/dbraw/zinc/30/33/39/367303339.db2.gz JYLUJLAGDJQUEY-JTQLQIEISA-N 0 3 227.348 3.182 20 0 BGADHN CSCCN(C)[C@H](C)c1cccc(F)c1 ZINC000194544670 367303800 /nfs/dbraw/zinc/30/38/00/367303800.db2.gz JYLUJLAGDJQUEY-SNVBAGLBSA-N 0 3 227.348 3.182 20 0 BGADHN CCOCCN(CC)[C@@H](C)c1cccc(F)c1 ZINC000194547121 388734702 /nfs/dbraw/zinc/73/47/02/388734702.db2.gz KLENOHKYYOFDIX-LBPRGKRZSA-N 0 3 239.334 3.245 20 0 BGADHN CCOCCN(CC)[C@H](C)c1cccc(F)c1 ZINC000194547140 388734892 /nfs/dbraw/zinc/73/48/92/388734892.db2.gz KLENOHKYYOFDIX-GFCCVEGCSA-N 0 3 239.334 3.245 20 0 BGADHN CCOCCN(C)Cc1ccc(C)c(Cl)c1 ZINC000194589362 206093398 /nfs/dbraw/zinc/09/33/98/206093398.db2.gz OICIQPYZTLZXLL-UHFFFAOYSA-N 0 3 241.762 3.117 20 0 BGADHN C=Cn1cc(CN2CCCC[C@H]2CCC)cn1 ZINC000194671986 188005919 /nfs/dbraw/zinc/00/59/19/188005919.db2.gz RDVKJUCHVXXDEC-CQSZACIVSA-N 0 3 233.359 3.138 20 0 BGADHN C=Cn1cc(CN2CCCC[C@@H]2CCC)cn1 ZINC000194671999 397899344 /nfs/dbraw/zinc/89/93/44/397899344.db2.gz RDVKJUCHVXXDEC-AWEZNQCLSA-N 0 3 233.359 3.138 20 0 BGADHN COc1cc(CN2CCCC3(CC3)C2)ccc1C ZINC000194716920 367319145 /nfs/dbraw/zinc/31/91/45/367319145.db2.gz MDUNAOHFICLMBP-UHFFFAOYSA-N 0 3 245.366 3.380 20 0 BGADHN CN(Cc1ccccc1OC(F)(F)F)C1CC1 ZINC000194724142 388741102 /nfs/dbraw/zinc/74/11/02/388741102.db2.gz CKCCLIQBMJWOAU-UHFFFAOYSA-N 0 3 245.244 3.179 20 0 BGADHN CCCN(CCC)Cc1cn2ccsc2n1 ZINC000194732020 169149092 /nfs/dbraw/zinc/14/90/92/169149092.db2.gz XUVJYQYAHYYSOU-UHFFFAOYSA-N 0 3 237.372 3.018 20 0 BGADHN C=Cn1cc(CN2CCC(C)(C(C)C)CC2)cn1 ZINC000194757707 206109947 /nfs/dbraw/zinc/10/99/47/206109947.db2.gz UGLXIKWXGYGTSR-UHFFFAOYSA-N 0 3 247.386 3.242 20 0 BGADHN CSc1ccccc1[C@H](C)NC1CC1 ZINC000194830481 206110905 /nfs/dbraw/zinc/11/09/05/206110905.db2.gz ULNJGQWEHXWIOI-VIFPVBQESA-N 0 3 207.342 3.222 20 0 BGADHN CSc1ccccc1[C@@H](C)NC1CC1 ZINC000194830497 206110861 /nfs/dbraw/zinc/11/08/61/206110861.db2.gz ULNJGQWEHXWIOI-SECBINFHSA-N 0 3 207.342 3.222 20 0 BGADHN CCOCCN[C@@H](C)c1ccccc1SC ZINC000194854895 361528796 /nfs/dbraw/zinc/52/87/96/361528796.db2.gz QDUFWSZCDZQNJU-NSHDSACASA-N 0 3 239.384 3.096 20 0 BGADHN CCOCCN[C@H](C)c1ccccc1SC ZINC000194854907 361528727 /nfs/dbraw/zinc/52/87/27/361528727.db2.gz QDUFWSZCDZQNJU-LLVKDONJSA-N 0 3 239.384 3.096 20 0 BGADHN Cc1cccc(NC(=O)CN(C(C)C)C(C)C)c1 ZINC000194864864 388901576 /nfs/dbraw/zinc/90/15/76/388901576.db2.gz AVRFGIISOMGKQY-UHFFFAOYSA-N 0 3 248.370 3.052 20 0 BGADHN CSc1ccccc1[C@H](C)N[C@H]1C[C@H]1C ZINC000194882513 206112258 /nfs/dbraw/zinc/11/22/58/206112258.db2.gz TZXXGPXHFRWFMH-SCVCMEIPSA-N 0 3 221.369 3.468 20 0 BGADHN CSc1ccccc1[C@H](C)N[C@H]1C[C@@H]1C ZINC000194882526 206111927 /nfs/dbraw/zinc/11/19/27/206111927.db2.gz TZXXGPXHFRWFMH-NHCYSSNCSA-N 0 3 221.369 3.468 20 0 BGADHN CSc1ccccc1[C@H](C)N[C@@H]1C[C@H]1C ZINC000194882539 206111868 /nfs/dbraw/zinc/11/18/68/206111868.db2.gz TZXXGPXHFRWFMH-JFGNBEQYSA-N 0 3 221.369 3.468 20 0 BGADHN CSc1ccccc1[C@H](C)N[C@@H]1C[C@@H]1C ZINC000194882551 206111691 /nfs/dbraw/zinc/11/16/91/206111691.db2.gz TZXXGPXHFRWFMH-JBLDHEPKSA-N 0 3 221.369 3.468 20 0 BGADHN C[C@H](NC[C@@H]1CCC(C)(C)O1)c1cccc(O)c1 ZINC000194965264 387955358 /nfs/dbraw/zinc/95/53/58/387955358.db2.gz MHAIRPQJGQWQKQ-FZMZJTMJSA-N 0 3 249.354 3.000 20 0 BGADHN C[C@@H](NC[C@@H]1CCC(C)(C)O1)c1cccc(O)c1 ZINC000194965275 387955482 /nfs/dbraw/zinc/95/54/82/387955482.db2.gz MHAIRPQJGQWQKQ-RISCZKNCSA-N 0 3 249.354 3.000 20 0 BGADHN C[C@H](NC[C@H]1CCC(C)(C)O1)c1cccc(O)c1 ZINC000194965291 387955865 /nfs/dbraw/zinc/95/58/65/387955865.db2.gz MHAIRPQJGQWQKQ-SMDDNHRTSA-N 0 3 249.354 3.000 20 0 BGADHN C[C@@H](NC[C@H]1CCC(C)(C)O1)c1cccc(O)c1 ZINC000194965306 192089625 /nfs/dbraw/zinc/08/96/25/192089625.db2.gz MHAIRPQJGQWQKQ-BXUZGUMPSA-N 0 3 249.354 3.000 20 0 BGADHN CO[C@@H](C)CN[C@@H](C)c1ccccc1SC ZINC000194967186 387959189 /nfs/dbraw/zinc/95/91/89/387959189.db2.gz AJNDWEIEWUZZRC-QWRGUYRKSA-N 0 3 239.384 3.094 20 0 BGADHN CO[C@H](C)CN[C@@H](C)c1ccccc1SC ZINC000194967201 387958085 /nfs/dbraw/zinc/95/80/85/387958085.db2.gz AJNDWEIEWUZZRC-MNOVXSKESA-N 0 3 239.384 3.094 20 0 BGADHN CO[C@@H](C)CN[C@H](C)c1ccccc1SC ZINC000194967211 361571524 /nfs/dbraw/zinc/57/15/24/361571524.db2.gz AJNDWEIEWUZZRC-WDEREUQCSA-N 0 3 239.384 3.094 20 0 BGADHN CO[C@H](C)CN[C@H](C)c1ccccc1SC ZINC000194967371 361571140 /nfs/dbraw/zinc/57/11/40/361571140.db2.gz AJNDWEIEWUZZRC-GHMZBOCLSA-N 0 3 239.384 3.094 20 0 BGADHN CCCN(Cc1ccc(F)c(F)c1)C1CC1 ZINC000194968841 259398542 /nfs/dbraw/zinc/39/85/42/259398542.db2.gz NODBZTZRVCVOBD-UHFFFAOYSA-N 0 3 225.282 3.339 20 0 BGADHN CCCN(Cc1cccc(OC)c1OC)C1CC1 ZINC000194968954 388747498 /nfs/dbraw/zinc/74/74/98/388747498.db2.gz HACKDPYKYTXBDG-UHFFFAOYSA-N 0 3 249.354 3.078 20 0 BGADHN CC1CCC(N(C)Cc2ccco2)CC1 ZINC000194986209 367328473 /nfs/dbraw/zinc/32/84/73/367328473.db2.gz BNDIVZDPILEEAJ-UHFFFAOYSA-N 0 3 207.317 3.290 20 0 BGADHN CN(Cc1ccco1)[C@@H]1CCc2ccccc21 ZINC000194986455 367328737 /nfs/dbraw/zinc/32/87/37/367328737.db2.gz OJGFWQZKHKSNHU-OAHLLOKOSA-N 0 3 227.307 3.399 20 0 BGADHN CN(Cc1ccco1)[C@H]1CCc2ccccc21 ZINC000194986469 350081330 /nfs/dbraw/zinc/08/13/30/350081330.db2.gz OJGFWQZKHKSNHU-HNNXBMFYSA-N 0 3 227.307 3.399 20 0 BGADHN CCCN(Cc1cc(OC)cc(OC)c1)C1CC1 ZINC000194997231 388749017 /nfs/dbraw/zinc/74/90/17/388749017.db2.gz KLBWWNPIWANROL-UHFFFAOYSA-N 0 3 249.354 3.078 20 0 BGADHN CCN(Cc1ccc(F)cc1F)C(C)C ZINC000194999253 388749446 /nfs/dbraw/zinc/74/94/46/388749446.db2.gz KONGFEJMUZWNEM-UHFFFAOYSA-N 0 3 213.271 3.195 20 0 BGADHN CC[C@@H](C)N(C)Cc1ccc(F)c(F)c1 ZINC000195003403 367329943 /nfs/dbraw/zinc/32/99/43/367329943.db2.gz CYOBCYMWKJKTJS-SECBINFHSA-N 0 3 213.271 3.195 20 0 BGADHN CC[C@H](C)N(C)Cc1ccc(F)c(F)c1 ZINC000195003417 367330835 /nfs/dbraw/zinc/33/08/35/367330835.db2.gz CYOBCYMWKJKTJS-VIFPVBQESA-N 0 3 213.271 3.195 20 0 BGADHN COc1ccc(CN(C)C2CCCC2)c(OC)c1 ZINC000195004604 388079684 /nfs/dbraw/zinc/07/96/84/388079684.db2.gz GNRFJFGVQLOHDV-UHFFFAOYSA-N 0 3 249.354 3.078 20 0 BGADHN CN(Cc1ccc(F)cc1F)C1CCCC1 ZINC000195004636 367331180 /nfs/dbraw/zinc/33/11/80/367331180.db2.gz ICROPNSEVMTDBI-UHFFFAOYSA-N 0 3 225.282 3.339 20 0 BGADHN COc1cccc(CN(C)C2CCCC2)c1OC ZINC000195005111 388081041 /nfs/dbraw/zinc/08/10/41/388081041.db2.gz LXZXJNPSWLJVMC-UHFFFAOYSA-N 0 3 249.354 3.078 20 0 BGADHN CCCCCN(CCCOC)Cc1ccco1 ZINC000195005348 367331262 /nfs/dbraw/zinc/33/12/62/367331262.db2.gz QBOCGWUCAHLZSU-UHFFFAOYSA-N 0 3 239.359 3.308 20 0 BGADHN CCC[C@@H](C)N(C)Cc1ccccc1OC ZINC000195005481 388693476 /nfs/dbraw/zinc/69/34/76/388693476.db2.gz PZDLAQQQUBSDET-GFCCVEGCSA-N 0 3 221.344 3.316 20 0 BGADHN CCC[C@H](C)N(C)Cc1ccccc1OC ZINC000195005498 388693255 /nfs/dbraw/zinc/69/32/55/388693255.db2.gz PZDLAQQQUBSDET-LBPRGKRZSA-N 0 3 221.344 3.316 20 0 BGADHN CN(CCc1ccccc1F)Cc1ccco1 ZINC000195007128 367331577 /nfs/dbraw/zinc/33/15/77/367331577.db2.gz BDJFTCNXZYIHKF-UHFFFAOYSA-N 0 3 233.286 3.093 20 0 BGADHN CCCN(C)Cc1ccccc1OC(F)F ZINC000195010667 259398660 /nfs/dbraw/zinc/39/86/60/259398660.db2.gz YEOMTPIOWSFYSE-UHFFFAOYSA-N 0 3 229.270 3.130 20 0 BGADHN Cc1nn(C)c(C)c1CN(C)CC1CCCCC1 ZINC000195055104 388695250 /nfs/dbraw/zinc/69/52/50/388695250.db2.gz RIYZNSNKQULTJX-UHFFFAOYSA-N 0 3 249.402 3.049 20 0 BGADHN CCC[C@@H](C)N(C)Cc1nc2ccccc2n1C ZINC000195076272 388695184 /nfs/dbraw/zinc/69/51/84/388695184.db2.gz HFIUCHJJEWJMOG-GFCCVEGCSA-N 0 3 245.370 3.194 20 0 BGADHN CCC[C@H](C)N(C)Cc1nc2ccccc2n1C ZINC000195076285 388695109 /nfs/dbraw/zinc/69/51/09/388695109.db2.gz HFIUCHJJEWJMOG-LBPRGKRZSA-N 0 3 245.370 3.194 20 0 BGADHN CC(C)N(Cc1cncs1)CC1CCC1 ZINC000195078400 537803909 /nfs/dbraw/zinc/80/39/09/537803909.db2.gz NPPJOZKHTKMEMD-UHFFFAOYSA-N 0 3 224.373 3.154 20 0 BGADHN CC(C)[N@H+](Cc1cccc([O-])c1)CC1CCC1 ZINC000195078521 388096723 /nfs/dbraw/zinc/09/67/23/388096723.db2.gz VMIWAFRZZJLILF-UHFFFAOYSA-N 0 3 233.355 3.403 20 0 BGADHN CC(C)[N@@H+](Cc1cccc([O-])c1)CC1CCC1 ZINC000195078521 388096720 /nfs/dbraw/zinc/09/67/20/388096720.db2.gz VMIWAFRZZJLILF-UHFFFAOYSA-N 0 3 233.355 3.403 20 0 BGADHN CCN(Cc1cnn(C)c1)[C@@H](C)c1ccccc1 ZINC000195118690 388696483 /nfs/dbraw/zinc/69/64/83/388696483.db2.gz JFXZHWIACBPUGM-ZDUSSCGKSA-N 0 3 243.354 3.003 20 0 BGADHN CCN(Cc1cnn(C)c1)[C@H](C)c1ccccc1 ZINC000195118702 388696499 /nfs/dbraw/zinc/69/64/99/388696499.db2.gz JFXZHWIACBPUGM-CYBMUJFWSA-N 0 3 243.354 3.003 20 0 BGADHN CN(CCOC(C)(C)C)Cc1cccc(F)c1 ZINC000195174425 387908026 /nfs/dbraw/zinc/90/80/26/387908026.db2.gz DMUVMHBCIJARDC-UHFFFAOYSA-N 0 3 239.334 3.073 20 0 BGADHN CN(CCc1c(F)cccc1Cl)C1CC1 ZINC000195197551 367348055 /nfs/dbraw/zinc/34/80/55/367348055.db2.gz BDZLHCXVFFEALJ-UHFFFAOYSA-N 0 3 227.710 3.116 20 0 BGADHN C[C@@H]1c2cccn2CCN1CCc1cccs1 ZINC000195312912 644375601 /nfs/dbraw/zinc/37/56/01/644375601.db2.gz BJLGLZGQUAGOAD-GFCCVEGCSA-N 0 3 246.379 3.169 20 0 BGADHN C[C@H]1c2cccn2CCN1CCc1cccs1 ZINC000195312921 644374256 /nfs/dbraw/zinc/37/42/56/644374256.db2.gz BJLGLZGQUAGOAD-LBPRGKRZSA-N 0 3 246.379 3.169 20 0 BGADHN CC(C)=CCN1CCC(OC2CCCC2)CC1 ZINC000195321111 387920252 /nfs/dbraw/zinc/92/02/52/387920252.db2.gz AFUYZDVOGFWVAG-UHFFFAOYSA-N 0 3 237.387 3.376 20 0 BGADHN CC(C)=CCN1CCC[C@H](c2nccs2)C1 ZINC000195346381 387919518 /nfs/dbraw/zinc/91/95/18/387919518.db2.gz OAUVQHQZRXWIGP-LBPRGKRZSA-N 0 3 236.384 3.289 20 0 BGADHN CC(C)=CCN1CCC[C@@H](c2nccs2)C1 ZINC000195346389 387918629 /nfs/dbraw/zinc/91/86/29/387918629.db2.gz OAUVQHQZRXWIGP-GFCCVEGCSA-N 0 3 236.384 3.289 20 0 BGADHN Cc1ccc(CN2CCCC2)cc1Cl ZINC000195436296 388164246 /nfs/dbraw/zinc/16/42/46/388164246.db2.gz JXAWPGKLCPVUCN-UHFFFAOYSA-N 0 3 209.720 3.244 20 0 BGADHN CO[C@H](C)[C@H](C)NCc1ccc(C)c(Cl)c1 ZINC000195451038 388164774 /nfs/dbraw/zinc/16/47/74/388164774.db2.gz NMRVSQKPQBSXRP-WDEREUQCSA-N 0 3 241.762 3.161 20 0 BGADHN CO[C@@H](C)[C@H](C)NCc1ccc(C)c(Cl)c1 ZINC000195451042 388164676 /nfs/dbraw/zinc/16/46/76/388164676.db2.gz NMRVSQKPQBSXRP-QWRGUYRKSA-N 0 3 241.762 3.161 20 0 BGADHN CC(C)CN(Cc1nccn1C(C)C)C(C)C ZINC000195514503 388165928 /nfs/dbraw/zinc/16/59/28/388165928.db2.gz BNTBKVACPFBDML-UHFFFAOYSA-N 0 3 237.391 3.330 20 0 BGADHN CCn1ccnc1CN1CCC[C@@H]1C1CCCC1 ZINC000195515084 387922336 /nfs/dbraw/zinc/92/23/36/387922336.db2.gz XOEHOURJKOHKFY-CQSZACIVSA-N 0 3 247.386 3.058 20 0 BGADHN CCn1ccnc1CN1CCC[C@H]1C1CCCC1 ZINC000195515085 387921684 /nfs/dbraw/zinc/92/16/84/387921684.db2.gz XOEHOURJKOHKFY-AWEZNQCLSA-N 0 3 247.386 3.058 20 0 BGADHN CC(C)n1ccnc1CN(C)C(C1CC1)C1CC1 ZINC000195515451 387923195 /nfs/dbraw/zinc/92/31/95/387923195.db2.gz BIUQHFQURXSWIL-UHFFFAOYSA-N 0 3 247.386 3.084 20 0 BGADHN CCCCN1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000195686853 388561533 /nfs/dbraw/zinc/56/15/33/388561533.db2.gz LAWACTPEOAYMQP-UKRRQHHQSA-N 0 3 233.355 3.249 20 0 BGADHN CCCCN1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000195686855 388562500 /nfs/dbraw/zinc/56/25/00/388562500.db2.gz LAWACTPEOAYMQP-DZGCQCFKSA-N 0 3 233.355 3.249 20 0 BGADHN CCOCCN(C)Cc1c(C)cc(C)cc1C ZINC000195736648 170389695 /nfs/dbraw/zinc/38/96/95/170389695.db2.gz SGISFNDJYIWZKH-UHFFFAOYSA-N 0 3 235.371 3.080 20 0 BGADHN CCN(CC)Cc1cc(-c2ccc(C)cc2)no1 ZINC000196295715 343871473 /nfs/dbraw/zinc/87/14/73/343871473.db2.gz WUEOVSUMBRJKJE-UHFFFAOYSA-N 0 3 244.338 3.492 20 0 BGADHN c1cnc2c(c1)CN(CC1CCCCC1)CC2 ZINC000196304961 347496727 /nfs/dbraw/zinc/49/67/27/347496727.db2.gz KYQUJOUQDXFCKO-UHFFFAOYSA-N 0 3 230.355 3.020 20 0 BGADHN Cc1ccc(CCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000196412221 358944316 /nfs/dbraw/zinc/94/43/16/358944316.db2.gz DWFBCTNGLUIXRI-GASCZTMLSA-N 0 3 247.382 3.037 20 0 BGADHN CC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000196579873 385512190 /nfs/dbraw/zinc/51/21/90/385512190.db2.gz QBHAAIOWXHFFOM-UHFFFAOYSA-N 0 3 231.339 3.121 20 0 BGADHN CCOc1ccc(CN2CCC(C)CC2)cc1 ZINC000196579885 345724762 /nfs/dbraw/zinc/72/47/62/345724762.db2.gz MHNAPUMNJACPIP-UHFFFAOYSA-N 0 3 233.355 3.317 20 0 BGADHN CCCCCN1CCN(c2ccccc2C)CC1 ZINC000196953833 541514498 /nfs/dbraw/zinc/51/44/98/541514498.db2.gz VPAFFOMNFCMLKA-UHFFFAOYSA-N 0 3 246.398 3.307 20 0 BGADHN CC1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000196974941 541514488 /nfs/dbraw/zinc/51/44/88/541514488.db2.gz ZOSSHFZYJHMTIH-UHFFFAOYSA-N 0 3 228.339 3.400 20 0 BGADHN CCCN1CCS[C@H](c2ccccc2)C1 ZINC000197284212 397973458 /nfs/dbraw/zinc/97/34/58/397973458.db2.gz MHMXCCOMPXQGQO-ZDUSSCGKSA-N 0 3 221.369 3.187 20 0 BGADHN CCCN1CCS[C@@H](c2ccccc2)C1 ZINC000197284226 397973624 /nfs/dbraw/zinc/97/36/24/397973624.db2.gz MHMXCCOMPXQGQO-CYBMUJFWSA-N 0 3 221.369 3.187 20 0 BGADHN CSc1ccc(CN(C)C(C)C)s1 ZINC000197749009 361961700 /nfs/dbraw/zinc/96/17/00/361961700.db2.gz NKACBEMJWHTZQY-UHFFFAOYSA-N 0 3 215.387 3.310 20 0 BGADHN CCC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000197964732 345725240 /nfs/dbraw/zinc/72/52/40/345725240.db2.gz URYUAMYMIHIUPD-UHFFFAOYSA-N 0 3 233.355 3.317 20 0 BGADHN CC(C)CC1CCN(Cc2ccccn2)CC1 ZINC000200688397 582486478 /nfs/dbraw/zinc/48/64/78/582486478.db2.gz FEPPJDFFYOVRLN-UHFFFAOYSA-N 0 3 232.371 3.340 20 0 BGADHN F[C@@H]1CCCC[C@H]1NCc1ccccc1 ZINC000201401459 384293487 /nfs/dbraw/zinc/29/34/87/384293487.db2.gz RPPHIILGBSUENF-CHWSQXEVSA-N 0 3 207.292 3.057 20 0 BGADHN F[C@@H]1CCCC[C@@H]1NCc1ccccc1 ZINC000201401498 582857871 /nfs/dbraw/zinc/85/78/71/582857871.db2.gz RPPHIILGBSUENF-OLZOCXBDSA-N 0 3 207.292 3.057 20 0 BGADHN Cc1ccc(NC2CCN(C3CC3)CC2)c(F)c1 ZINC000201713169 346565981 /nfs/dbraw/zinc/56/59/81/346565981.db2.gz NTFKPDRJAGPPGB-UHFFFAOYSA-N 0 3 248.345 3.173 20 0 BGADHN CSc1cccc(CN2CCCC2)c1 ZINC000201966191 487620518 /nfs/dbraw/zinc/62/05/18/487620518.db2.gz UBMROVTWJWNCKJ-UHFFFAOYSA-N 0 3 207.342 3.004 20 0 BGADHN Cc1ncc(CN2CCC(C(C)(C)C)CC2)cn1 ZINC000202381006 346032660 /nfs/dbraw/zinc/03/26/60/346032660.db2.gz HLVBZGJGPREGTM-UHFFFAOYSA-N 0 3 247.386 3.043 20 0 BGADHN CC1CN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000202882506 345730375 /nfs/dbraw/zinc/73/03/75/345730375.db2.gz WINYDXHKZCSWSX-UHFFFAOYSA-N 0 3 229.245 3.157 20 0 BGADHN CCC1CCN(Cc2cccc(F)c2)CC1 ZINC000204118645 359725381 /nfs/dbraw/zinc/72/53/81/359725381.db2.gz ZVGYHSXIBGUKMD-UHFFFAOYSA-N 0 3 221.319 3.448 20 0 BGADHN C[C@@H](NC/C=C/CO)c1cccc2ccccc21 ZINC000204653082 490096140 /nfs/dbraw/zinc/09/61/40/490096140.db2.gz HWMCSJYZMDBWAY-MUBLQREKSA-N 0 3 241.334 3.039 20 0 BGADHN c1cc2cc(CN3CCCCC3)ccc2o1 ZINC000204837329 348412332 /nfs/dbraw/zinc/41/23/32/348412332.db2.gz VFLWMCVMDKQCCQ-UHFFFAOYSA-N 0 3 215.296 3.419 20 0 BGADHN CSc1cccc(CN2CCCCC2)c1 ZINC000204841042 487674083 /nfs/dbraw/zinc/67/40/83/487674083.db2.gz LTXIEPZBBPCBBW-UHFFFAOYSA-N 0 3 221.369 3.394 20 0 BGADHN Cc1cnc(C2CCN(C(C)C)CC2)s1 ZINC000204903642 411164853 /nfs/dbraw/zinc/16/48/53/411164853.db2.gz VAOXHLZRXRJOLI-UHFFFAOYSA-N 0 3 224.373 3.039 20 0 BGADHN CCc1ccc(CNCCOC(C)(C)C)cc1 ZINC000205110137 387025389 /nfs/dbraw/zinc/02/53/89/387025389.db2.gz GDWKCIJVCNDOSR-UHFFFAOYSA-N 0 3 235.371 3.154 20 0 BGADHN CC1CCC(N(C)Cc2ccncc2F)CC1 ZINC000205291854 348485718 /nfs/dbraw/zinc/48/57/18/348485718.db2.gz QLHLRVQMRIFNCH-UHFFFAOYSA-N 0 3 236.334 3.231 20 0 BGADHN CCC1(C)CCN(Cc2cncs2)CC1 ZINC000205532476 348543364 /nfs/dbraw/zinc/54/33/64/348543364.db2.gz WKYYFZDUQDMPGA-UHFFFAOYSA-N 0 3 224.373 3.155 20 0 BGADHN CCC1CCN(CCC(F)(F)F)CC1 ZINC000205533405 348543314 /nfs/dbraw/zinc/54/33/14/348543314.db2.gz ONMIGMXVFRTCJF-UHFFFAOYSA-N 0 3 209.255 3.061 20 0 BGADHN CO[C@H]1CCN(Cc2ccc(C(C)(C)C)cc2)C1 ZINC000205776647 345733452 /nfs/dbraw/zinc/73/34/52/345733452.db2.gz NKPZIVBXVVRCSZ-HNNXBMFYSA-N 0 3 247.382 3.205 20 0 BGADHN CO[C@@H]1CCN(Cc2ccc(C(C)(C)C)cc2)C1 ZINC000205776676 589469241 /nfs/dbraw/zinc/46/92/41/589469241.db2.gz NKPZIVBXVVRCSZ-OAHLLOKOSA-N 0 3 247.382 3.205 20 0 BGADHN CO[C@H]1CCN(Cc2cccc(C(C)(C)C)c2)C1 ZINC000205776884 487678757 /nfs/dbraw/zinc/67/87/57/487678757.db2.gz MWTPONIKIRQHRX-HNNXBMFYSA-N 0 3 247.382 3.205 20 0 BGADHN CO[C@@H]1CCN(Cc2cccc(C(C)(C)C)c2)C1 ZINC000205776908 589469179 /nfs/dbraw/zinc/46/91/79/589469179.db2.gz MWTPONIKIRQHRX-OAHLLOKOSA-N 0 3 247.382 3.205 20 0 BGADHN CC(C)(C)C1CCC(CN2CCOCC2)CC1 ZINC000205777546 370000944 /nfs/dbraw/zinc/00/09/44/370000944.db2.gz YMRHJJKUKDWCDX-UHFFFAOYSA-N 0 3 239.403 3.171 20 0 BGADHN CCC1CCN(Cc2ccnc(C)c2)CC1 ZINC000205996546 345733363 /nfs/dbraw/zinc/73/33/63/345733363.db2.gz NOQSGJJPENOUIP-UHFFFAOYSA-N 0 3 218.344 3.012 20 0 BGADHN FC(F)(F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000206184681 589498578 /nfs/dbraw/zinc/49/85/78/589498578.db2.gz LFDBFUJPEKDPEL-NSHDSACASA-N 0 3 229.245 3.071 20 0 BGADHN FC(F)(F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000206184712 589498303 /nfs/dbraw/zinc/49/83/03/589498303.db2.gz LFDBFUJPEKDPEL-LLVKDONJSA-N 0 3 229.245 3.071 20 0 BGADHN CCCCCCN(C)Cc1ccccn1 ZINC000207071317 348724282 /nfs/dbraw/zinc/72/42/82/348724282.db2.gz BKMTXDTUUNANFN-UHFFFAOYSA-N 0 3 206.333 3.094 20 0 BGADHN Cl/C=C\CN1CCC[C@@H]2CCCC[C@@H]21 ZINC000208370056 589685297 /nfs/dbraw/zinc/68/52/97/589685297.db2.gz WYTQMDSURZWING-OQCSWWOSSA-N 0 3 213.752 3.394 20 0 BGADHN Fc1ccc(/C=C\CN2CCCCC2)cc1 ZINC000209740468 345736372 /nfs/dbraw/zinc/73/63/72/345736372.db2.gz GHRFINYFACFZPX-PLNGDYQASA-N 0 3 219.303 3.325 20 0 BGADHN C[C@H](NC/C=C\c1ccccc1)c1ccncc1 ZINC000210539535 386703386 /nfs/dbraw/zinc/70/33/86/386703386.db2.gz DZEFKSUMKQWILX-PODYEWJSSA-N 0 3 238.334 3.446 20 0 BGADHN C[C@@H](NC/C=C\c1ccccc1)c1ccncc1 ZINC000210539568 386703731 /nfs/dbraw/zinc/70/37/31/386703731.db2.gz DZEFKSUMKQWILX-BMWLXYDHSA-N 0 3 238.334 3.446 20 0 BGADHN CCCCOCCNC/C=C\c1ccccc1 ZINC000210540222 590912393 /nfs/dbraw/zinc/91/23/93/590912393.db2.gz ASIVEABDUPWYOM-YFHOEESVSA-N 0 3 233.355 3.106 20 0 BGADHN Cc1ncc(CNC/C=C\c2ccccc2)s1 ZINC000210540263 180150212 /nfs/dbraw/zinc/15/02/12/180150212.db2.gz NPLFZTVZROKZKL-YVMONPNESA-N 0 3 244.363 3.255 20 0 BGADHN C[C@@H]1CCCC[C@@H]1NC/C(Cl)=C\Cl ZINC000211207224 591148278 /nfs/dbraw/zinc/14/82/78/591148278.db2.gz VFSQVYHHMUDJQO-IHFVLYLFSA-N 0 3 222.159 3.474 20 0 BGADHN CC[C@H](C)[C@@H](C)NC/C(Cl)=C\Cl ZINC000211231836 591148891 /nfs/dbraw/zinc/14/88/91/591148891.db2.gz GUPPRWCBECTKCO-NLHCUKTESA-N 0 3 210.148 3.330 20 0 BGADHN CC1(C)CCC[C@@H]1NC/C(Cl)=C\Cl ZINC000211233215 591148650 /nfs/dbraw/zinc/14/86/50/591148650.db2.gz WAQJNGVVPVLTMO-ORZBULNSSA-N 0 3 222.159 3.474 20 0 BGADHN CC1(C)CCC[C@H]1NC/C(Cl)=C\Cl ZINC000211233275 591146671 /nfs/dbraw/zinc/14/66/71/591146671.db2.gz WAQJNGVVPVLTMO-BNICOGTQSA-N 0 3 222.159 3.474 20 0 BGADHN C[C@@H]1CCC[C@@H]1NC/C(Cl)=C\Cl ZINC000211278530 591152727 /nfs/dbraw/zinc/15/27/27/591152727.db2.gz VBXGNCUKHCJMLB-ZKAIPZBJSA-N 0 3 208.132 3.084 20 0 BGADHN C[C@H](NC/C(Cl)=C\Cl)C1CCCC1 ZINC000211278887 591149981 /nfs/dbraw/zinc/14/99/81/591149981.db2.gz UUOGTSIACSEEAW-QMEHYBMDSA-N 0 3 222.159 3.474 20 0 BGADHN C[C@@H](NC/C(Cl)=C\Cl)C1CCCC1 ZINC000211278947 591152078 /nfs/dbraw/zinc/15/20/78/591152078.db2.gz UUOGTSIACSEEAW-VSBFRKNKSA-N 0 3 222.159 3.474 20 0 BGADHN Cc1nc([C@H](C)N)sc1-c1ccccc1 ZINC000211345847 180046645 /nfs/dbraw/zinc/04/66/45/180046645.db2.gz VQUYNPDSYSZIMR-QMMMGPOBSA-N 0 3 218.325 3.138 20 0 BGADHN CC(C)(F)CNCc1cccc(Cl)c1 ZINC000211381986 411189263 /nfs/dbraw/zinc/18/92/63/411189263.db2.gz GPMQOPZZMIQJMX-UHFFFAOYSA-N 0 3 215.699 3.178 20 0 BGADHN CC(C)(F)CNCc1ccc(Cl)cc1 ZINC000211382268 411134109 /nfs/dbraw/zinc/13/41/09/411134109.db2.gz KPLDXDVNVSIKEG-UHFFFAOYSA-N 0 3 215.699 3.178 20 0 BGADHN COc1ccc(CN2CCCCC[C@H]2C)cc1O ZINC000211399015 175098735 /nfs/dbraw/zinc/09/87/35/175098735.db2.gz ZCCPOAGUBLJOCF-GFCCVEGCSA-N 0 3 249.354 3.165 20 0 BGADHN COc1ccc(CN2CCCCC[C@@H]2C)cc1O ZINC000211399080 175098926 /nfs/dbraw/zinc/09/89/26/175098926.db2.gz ZCCPOAGUBLJOCF-LBPRGKRZSA-N 0 3 249.354 3.165 20 0 BGADHN CC1(C)CCC[N@@H+](Cc2cccc([O-])c2)CC1 ZINC000211423672 387525200 /nfs/dbraw/zinc/52/52/00/387525200.db2.gz JERIDOUVVBSHMO-UHFFFAOYSA-N 0 3 233.355 3.404 20 0 BGADHN CC1(C)CCC[N@H+](Cc2cccc([O-])c2)CC1 ZINC000211423672 387525197 /nfs/dbraw/zinc/52/51/97/387525197.db2.gz JERIDOUVVBSHMO-UHFFFAOYSA-N 0 3 233.355 3.404 20 0 BGADHN CC[C@@H]1CCC[N@@H+](Cc2nc(C)ccc2[O-])CC1 ZINC000211506728 344652902 /nfs/dbraw/zinc/65/29/02/344652902.db2.gz LMKBGBHZNHVMHX-CYBMUJFWSA-N 0 3 248.370 3.108 20 0 BGADHN CC[C@@H]1CCC[N@H+](Cc2nc(C)ccc2[O-])CC1 ZINC000211506728 344652900 /nfs/dbraw/zinc/65/29/00/344652900.db2.gz LMKBGBHZNHVMHX-CYBMUJFWSA-N 0 3 248.370 3.108 20 0 BGADHN CC[C@H]1CCC[N@@H+](Cc2nc(C)ccc2[O-])CC1 ZINC000211506802 383953680 /nfs/dbraw/zinc/95/36/80/383953680.db2.gz LMKBGBHZNHVMHX-ZDUSSCGKSA-N 0 3 248.370 3.108 20 0 BGADHN CC[C@H]1CCC[N@H+](Cc2nc(C)ccc2[O-])CC1 ZINC000211506802 383953673 /nfs/dbraw/zinc/95/36/73/383953673.db2.gz LMKBGBHZNHVMHX-ZDUSSCGKSA-N 0 3 248.370 3.108 20 0 BGADHN Cc1ccc([O-])c(C[N@H+]2CCCC(C)(C)CC2)n1 ZINC000211521510 387548208 /nfs/dbraw/zinc/54/82/08/387548208.db2.gz IDBMIYHKDQWXMK-UHFFFAOYSA-N 0 3 248.370 3.108 20 0 BGADHN Cc1ccc([O-])c(C[N@@H+]2CCCC(C)(C)CC2)n1 ZINC000211521510 387548205 /nfs/dbraw/zinc/54/82/05/387548205.db2.gz IDBMIYHKDQWXMK-UHFFFAOYSA-N 0 3 248.370 3.108 20 0 BGADHN CCC1(CC)CC[N@@H+](Cc2nc(C)ccc2[O-])C1 ZINC000211631041 384142832 /nfs/dbraw/zinc/14/28/32/384142832.db2.gz ONGYXCXIZGBZLR-UHFFFAOYSA-N 0 3 248.370 3.108 20 0 BGADHN CCC1(CC)CC[N@H+](Cc2nc(C)ccc2[O-])C1 ZINC000211631041 384142827 /nfs/dbraw/zinc/14/28/27/384142827.db2.gz ONGYXCXIZGBZLR-UHFFFAOYSA-N 0 3 248.370 3.108 20 0 BGADHN CC(C)(F)CNCCc1cccc(Cl)c1 ZINC000211684323 411139034 /nfs/dbraw/zinc/13/90/34/411139034.db2.gz RBNVCJMTWATDGN-UHFFFAOYSA-N 0 3 229.726 3.220 20 0 BGADHN CC(C)(F)CNCCc1ccc(Cl)cc1 ZINC000211684521 411139003 /nfs/dbraw/zinc/13/90/03/411139003.db2.gz VQCIBVIAJFTGIN-UHFFFAOYSA-N 0 3 229.726 3.220 20 0 BGADHN CCOc1cc(CN2CCC(C)(C)C2)ccc1O ZINC000211712707 385691844 /nfs/dbraw/zinc/69/18/44/385691844.db2.gz YDRRCMJJAXWZAV-UHFFFAOYSA-N 0 3 249.354 3.023 20 0 BGADHN CCCC(CCC)C(=O)Nc1cccc(CN)c1 ZINC000211757037 487973748 /nfs/dbraw/zinc/97/37/48/487973748.db2.gz NOIMETHBVIUYRU-UHFFFAOYSA-N 0 3 248.370 3.300 20 0 BGADHN CCCCOCCN[C@@H]1CCc2ccc(C)cc21 ZINC000211852475 384974715 /nfs/dbraw/zinc/97/47/15/384974715.db2.gz LZSWWCYETSOSKN-MRXNPFEDSA-N 0 3 247.382 3.389 20 0 BGADHN CCCCOCCN[C@H]1CCc2ccc(C)cc21 ZINC000211852550 384974875 /nfs/dbraw/zinc/97/48/75/384974875.db2.gz LZSWWCYETSOSKN-INIZCTEOSA-N 0 3 247.382 3.389 20 0 BGADHN CC1(C)CCC[C@@H]1NCc1cn2ccsc2n1 ZINC000211876681 167909501 /nfs/dbraw/zinc/90/95/01/167909501.db2.gz JKPCCWSZMHRJBP-NSHDSACASA-N 0 3 249.383 3.064 20 0 BGADHN CC1(C)CCC[C@H]1NCc1cn2ccsc2n1 ZINC000211876760 344868010 /nfs/dbraw/zinc/86/80/10/344868010.db2.gz JKPCCWSZMHRJBP-LLVKDONJSA-N 0 3 249.383 3.064 20 0 BGADHN C[C@@H]1CCCC[C@@H]1NCc1cn2ccsc2n1 ZINC000211886472 176081487 /nfs/dbraw/zinc/08/14/87/176081487.db2.gz NUGIZRGFBHKHLU-PWSUYJOCSA-N 0 3 249.383 3.064 20 0 BGADHN C[C@H]1CCCC[C@@H]1NCc1cn2ccsc2n1 ZINC000211886550 177083648 /nfs/dbraw/zinc/08/36/48/177083648.db2.gz NUGIZRGFBHKHLU-JQWIXIFHSA-N 0 3 249.383 3.064 20 0 BGADHN C[C@@H]1CCCC[C@H]1NCc1cn2ccsc2n1 ZINC000211886618 176088794 /nfs/dbraw/zinc/08/87/94/176088794.db2.gz NUGIZRGFBHKHLU-ZYHUDNBSSA-N 0 3 249.383 3.064 20 0 BGADHN C[C@H]1CCCC[C@H]1NCc1cn2ccsc2n1 ZINC000211886697 177088855 /nfs/dbraw/zinc/08/88/55/177088855.db2.gz NUGIZRGFBHKHLU-CMPLNLGQSA-N 0 3 249.383 3.064 20 0 BGADHN C(=C\c1ccccc1)\CNCCOC1CCCC1 ZINC000211959995 166228021 /nfs/dbraw/zinc/22/80/21/166228021.db2.gz ZKIHEAKSLCEXSY-TWGQIWQCSA-N 0 3 245.366 3.249 20 0 BGADHN COCCCCCNc1ccnc2ccccc21 ZINC000212137680 174184313 /nfs/dbraw/zinc/18/43/13/174184313.db2.gz IGWWCHGWHQVVFF-UHFFFAOYSA-N 0 3 244.338 3.463 20 0 BGADHN CSCCN[C@@H](C)c1ccc(Cl)c(F)c1 ZINC000212813803 359332301 /nfs/dbraw/zinc/33/23/01/359332301.db2.gz RHAIJZOUYRJPGY-QMMMGPOBSA-N 0 3 247.766 3.493 20 0 BGADHN CSCCN[C@H](C)c1ccc(Cl)c(F)c1 ZINC000212813868 342687240 /nfs/dbraw/zinc/68/72/40/342687240.db2.gz RHAIJZOUYRJPGY-MRVPVSSYSA-N 0 3 247.766 3.493 20 0 BGADHN CCOCCN[C@@H](C)c1ccc(Cl)c(F)c1 ZINC000212822686 323906772 /nfs/dbraw/zinc/90/67/72/323906772.db2.gz AKHFLHIUWHNOGI-VIFPVBQESA-N 0 3 245.725 3.166 20 0 BGADHN CCOCCN[C@H](C)c1ccc(Cl)c(F)c1 ZINC000212822749 323906715 /nfs/dbraw/zinc/90/67/15/323906715.db2.gz AKHFLHIUWHNOGI-SECBINFHSA-N 0 3 245.725 3.166 20 0 BGADHN CC(C)[C@@H]1CCC[C@H](NCc2ccn(C)n2)CC1 ZINC000213106481 343249910 /nfs/dbraw/zinc/24/99/10/343249910.db2.gz RSJCSFHWGHUUJK-KGLIPLIRSA-N 0 3 249.402 3.115 20 0 BGADHN CC(C)[C@H]1CCC[C@H](NCc2ccn(C)n2)CC1 ZINC000213106551 343250119 /nfs/dbraw/zinc/25/01/19/343250119.db2.gz RSJCSFHWGHUUJK-KBPBESRZSA-N 0 3 249.402 3.115 20 0 BGADHN CC(C)[C@@H]1CCC[C@@H](NCc2ccn(C)n2)CC1 ZINC000213106617 343249903 /nfs/dbraw/zinc/24/99/03/343249903.db2.gz RSJCSFHWGHUUJK-ZIAGYGMSSA-N 0 3 249.402 3.115 20 0 BGADHN CC(C)[C@H]1CCC[C@@H](NCc2ccn(C)n2)CC1 ZINC000213106671 343249907 /nfs/dbraw/zinc/24/99/07/343249907.db2.gz RSJCSFHWGHUUJK-UONOGXRCSA-N 0 3 249.402 3.115 20 0 BGADHN FC1(F)CC12CCN(Cc1ccccc1)CC2 ZINC000213571034 410842127 /nfs/dbraw/zinc/84/21/27/410842127.db2.gz NISWRORVDIURQA-UHFFFAOYSA-N 0 3 237.293 3.308 20 0 BGADHN CCC[C@@H]1CCCC[N@H+]1Cc1nc(C)ccc1[O-] ZINC000213640587 358731102 /nfs/dbraw/zinc/73/11/02/358731102.db2.gz FOKDMWGVNHYHBL-CYBMUJFWSA-N 0 3 248.370 3.250 20 0 BGADHN CCC[C@@H]1CCCC[N@@H+]1Cc1nc(C)ccc1[O-] ZINC000213640587 358731101 /nfs/dbraw/zinc/73/11/01/358731101.db2.gz FOKDMWGVNHYHBL-CYBMUJFWSA-N 0 3 248.370 3.250 20 0 BGADHN CCC[C@H]1CCCC[N@H+]1Cc1nc(C)ccc1[O-] ZINC000213640650 358731040 /nfs/dbraw/zinc/73/10/40/358731040.db2.gz FOKDMWGVNHYHBL-ZDUSSCGKSA-N 0 3 248.370 3.250 20 0 BGADHN CCC[C@H]1CCCC[N@@H+]1Cc1nc(C)ccc1[O-] ZINC000213640650 358731038 /nfs/dbraw/zinc/73/10/38/358731038.db2.gz FOKDMWGVNHYHBL-ZDUSSCGKSA-N 0 3 248.370 3.250 20 0 BGADHN COC[C@H](C)N[C@@H](C)c1ccc(Cl)c(F)c1 ZINC000213785970 411090347 /nfs/dbraw/zinc/09/03/47/411090347.db2.gz RELFAXZADWWQJI-IUCAKERBSA-N 0 3 245.725 3.165 20 0 BGADHN COC[C@@H](C)N[C@@H](C)c1ccc(Cl)c(F)c1 ZINC000213786026 343297483 /nfs/dbraw/zinc/29/74/83/343297483.db2.gz RELFAXZADWWQJI-BDAKNGLRSA-N 0 3 245.725 3.165 20 0 BGADHN COC[C@H](C)N[C@H](C)c1ccc(Cl)c(F)c1 ZINC000213786087 411090881 /nfs/dbraw/zinc/09/08/81/411090881.db2.gz RELFAXZADWWQJI-DTWKUNHWSA-N 0 3 245.725 3.165 20 0 BGADHN COC[C@@H](C)N[C@H](C)c1ccc(Cl)c(F)c1 ZINC000213786141 343297328 /nfs/dbraw/zinc/29/73/28/343297328.db2.gz RELFAXZADWWQJI-RKDXNWHRSA-N 0 3 245.725 3.165 20 0 BGADHN COc1cc(C)nc(CNC2(C)CCCCC2)c1 ZINC000214056888 388567188 /nfs/dbraw/zinc/56/71/88/388567188.db2.gz MTYWRMROEAXWHT-UHFFFAOYSA-N 0 3 248.370 3.211 20 0 BGADHN FC(F)(F)CCNC/C=C\c1ccccc1 ZINC000214059963 363123283 /nfs/dbraw/zinc/12/32/83/363123283.db2.gz RCJACNOPPHLREI-DAXSKMNVSA-N 0 3 229.245 3.242 20 0 BGADHN COc1cc(C)nc(CNC2CCCCCC2)c1 ZINC000214062995 388566477 /nfs/dbraw/zinc/56/64/77/388566477.db2.gz QAJAYADHPUGOOY-UHFFFAOYSA-N 0 3 248.370 3.211 20 0 BGADHN COc1cc(C)nc(CN[C@@H]2CCCC2(C)C)c1 ZINC000214064840 385801657 /nfs/dbraw/zinc/80/16/57/385801657.db2.gz SNIUZWVSJLUXTO-CQSZACIVSA-N 0 3 248.370 3.067 20 0 BGADHN COc1cc(C)nc(CN[C@H]2CCCC2(C)C)c1 ZINC000214064905 385801197 /nfs/dbraw/zinc/80/11/97/385801197.db2.gz SNIUZWVSJLUXTO-AWEZNQCLSA-N 0 3 248.370 3.067 20 0 BGADHN COc1cc(C)nc(CN[C@@H](C)C2CCCC2)c1 ZINC000214078412 385803994 /nfs/dbraw/zinc/80/39/94/385803994.db2.gz DXECDUYOZAOKBF-LBPRGKRZSA-N 0 3 248.370 3.067 20 0 BGADHN COc1cc(C)nc(CN[C@H](C)C2CCCC2)c1 ZINC000214085094 385804217 /nfs/dbraw/zinc/80/42/17/385804217.db2.gz DXECDUYOZAOKBF-GFCCVEGCSA-N 0 3 248.370 3.067 20 0 BGADHN CCCCCCNCc1cc(OC)cc(C)n1 ZINC000214103989 591534937 /nfs/dbraw/zinc/53/49/37/591534937.db2.gz SRHLERRMMLEFIB-UHFFFAOYSA-N 0 3 236.359 3.069 20 0 BGADHN COc1cc(C)nc(CN[C@@H]2CCC[C@H](C)C2)c1 ZINC000214108529 358759597 /nfs/dbraw/zinc/75/95/97/358759597.db2.gz BVEOQBBJINHHSC-WCQYABFASA-N 0 3 248.370 3.067 20 0 BGADHN COc1cc(C)nc(CN[C@H]2CCC[C@H](C)C2)c1 ZINC000214108587 358759580 /nfs/dbraw/zinc/75/95/80/358759580.db2.gz BVEOQBBJINHHSC-AAEUAGOBSA-N 0 3 248.370 3.067 20 0 BGADHN COc1cc(C)nc(CN[C@@H]2CCC[C@@H](C)C2)c1 ZINC000214108642 358759503 /nfs/dbraw/zinc/75/95/03/358759503.db2.gz BVEOQBBJINHHSC-DGCLKSJQSA-N 0 3 248.370 3.067 20 0 BGADHN COc1cc(C)nc(CN[C@H]2CCC[C@@H](C)C2)c1 ZINC000214108695 358759664 /nfs/dbraw/zinc/75/96/64/358759664.db2.gz BVEOQBBJINHHSC-YPMHNXCESA-N 0 3 248.370 3.067 20 0 BGADHN COc1cc(C)nc(CNCC2(C)CCCC2)c1 ZINC000214110294 358759195 /nfs/dbraw/zinc/75/91/95/358759195.db2.gz NTRYPNKCURVRNK-UHFFFAOYSA-N 0 3 248.370 3.069 20 0 BGADHN COc1cc(C)nc(CNC2CCC(C)CC2)c1 ZINC000214128324 358759333 /nfs/dbraw/zinc/75/93/33/358759333.db2.gz JGQIHOGBBICCIP-UHFFFAOYSA-N 0 3 248.370 3.067 20 0 BGADHN COc1cc(C)nc(CNCCC2CCCC2)c1 ZINC000214149021 358760235 /nfs/dbraw/zinc/76/02/35/358760235.db2.gz NTFCGVPSQXZUCS-UHFFFAOYSA-N 0 3 248.370 3.069 20 0 BGADHN CCC[C@@H](CC)NCc1cc(OC)cc(C)n1 ZINC000214150008 358759916 /nfs/dbraw/zinc/75/99/16/358759916.db2.gz ZGVAGSLGPDXGMW-GFCCVEGCSA-N 0 3 236.359 3.067 20 0 BGADHN CCC[C@H](CC)NCc1cc(OC)cc(C)n1 ZINC000214150068 358760221 /nfs/dbraw/zinc/76/02/21/358760221.db2.gz ZGVAGSLGPDXGMW-LBPRGKRZSA-N 0 3 236.359 3.067 20 0 BGADHN Cc1cccnc1CNC/C=C\c1ccccc1 ZINC000214164428 343764222 /nfs/dbraw/zinc/76/42/22/343764222.db2.gz IDANBYXTJYEQHH-POHAHGRESA-N 0 3 238.334 3.193 20 0 BGADHN Cc1ccc([C@@H](C)NCc2cccc(N)c2)cc1 ZINC000214792438 490075906 /nfs/dbraw/zinc/07/59/06/490075906.db2.gz UXHRTHHQQVOYKS-CYBMUJFWSA-N 0 3 240.350 3.428 20 0 BGADHN CC(C)[C@@H]1CCCC[C@@H]1N[C@@H](C)c1nccn1C ZINC000214958543 323091574 /nfs/dbraw/zinc/09/15/74/323091574.db2.gz QAPSPTZTSAZURI-IHRRRGAJSA-N 0 3 249.402 3.286 20 0 BGADHN CC(C)[C@H]1CCCC[C@@H]1N[C@@H](C)c1nccn1C ZINC000214958591 322827354 /nfs/dbraw/zinc/82/73/54/322827354.db2.gz QAPSPTZTSAZURI-MJBXVCDLSA-N 0 3 249.402 3.286 20 0 BGADHN CC(C)[C@@H]1CCCC[C@H]1N[C@@H](C)c1nccn1C ZINC000214958637 322827234 /nfs/dbraw/zinc/82/72/34/322827234.db2.gz QAPSPTZTSAZURI-MELADBBJSA-N 0 3 249.402 3.286 20 0 BGADHN CC(C)[C@H]1CCCC[C@H]1N[C@@H](C)c1nccn1C ZINC000214958688 322827263 /nfs/dbraw/zinc/82/72/63/322827263.db2.gz QAPSPTZTSAZURI-BFHYXJOUSA-N 0 3 249.402 3.286 20 0 BGADHN Cc1cccc(C)c1CN1CCC[C@H](F)C1 ZINC000215292123 344424925 /nfs/dbraw/zinc/42/49/25/344424925.db2.gz FFKMPVBBHZNZGT-ZDUSSCGKSA-N 0 3 221.319 3.237 20 0 BGADHN Cc1cccc(C)c1COc1ccccc1CN ZINC000215347117 344437040 /nfs/dbraw/zinc/43/70/40/344437040.db2.gz QUOGNYRBWIQXMD-UHFFFAOYSA-N 0 3 241.334 3.341 20 0 BGADHN CCCCOCCNCc1c(C)cccc1C ZINC000215375847 490360675 /nfs/dbraw/zinc/36/06/75/490360675.db2.gz LOWJWRMZPRGRNY-UHFFFAOYSA-N 0 3 235.371 3.210 20 0 BGADHN Cc1cccc(C)c1CNCCOCCC(C)C ZINC000215396637 384433560 /nfs/dbraw/zinc/43/35/60/384433560.db2.gz PTOJVAAQUGELCS-UHFFFAOYSA-N 0 3 249.398 3.456 20 0 BGADHN Cc1ccc(CNCc2c(C)cccc2C)cn1 ZINC000215409029 385842745 /nfs/dbraw/zinc/84/27/45/385842745.db2.gz YZUQADORTTYIII-UHFFFAOYSA-N 0 3 240.350 3.297 20 0 BGADHN COc1cc([C@H](C)N[C@@H]2CC2(C)C)ccc1F ZINC000215490155 386403470 /nfs/dbraw/zinc/40/34/70/386403470.db2.gz SQKXVLXVGMLUDQ-TVQRCGJNSA-N 0 3 237.318 3.283 20 0 BGADHN COc1cc([C@@H](C)N[C@@H]2CC2(C)C)ccc1F ZINC000215490201 386403025 /nfs/dbraw/zinc/40/30/25/386403025.db2.gz SQKXVLXVGMLUDQ-NOZJJQNGSA-N 0 3 237.318 3.283 20 0 BGADHN COc1cc([C@H](C)N[C@H]2CC2(C)C)ccc1F ZINC000215490252 386392062 /nfs/dbraw/zinc/39/20/62/386392062.db2.gz SQKXVLXVGMLUDQ-ZANVPECISA-N 0 3 237.318 3.283 20 0 BGADHN COc1cc([C@@H](C)N[C@H]2CC2(C)C)ccc1F ZINC000215490309 386392246 /nfs/dbraw/zinc/39/22/46/386392246.db2.gz SQKXVLXVGMLUDQ-RNCFNFMXSA-N 0 3 237.318 3.283 20 0 BGADHN Clc1ccc(/C=C\CN2CCCC2)cc1 ZINC000215643844 344390108 /nfs/dbraw/zinc/39/01/08/344390108.db2.gz OAZYARYAIYTHJU-ARJAWSKDSA-N 0 3 221.731 3.449 20 0 BGADHN Fc1ccc(SCCN2CCCCC2)cc1 ZINC000215891656 136334617 /nfs/dbraw/zinc/33/46/17/136334617.db2.gz SPAGFJJQNXIHDY-UHFFFAOYSA-N 0 3 239.359 3.404 20 0 BGADHN CCOc1ccccc1CN1CCC[C@@H](C)C1 ZINC000215892685 384624083 /nfs/dbraw/zinc/62/40/83/384624083.db2.gz ACOWVPKUHIIMRR-CYBMUJFWSA-N 0 3 233.355 3.317 20 0 BGADHN CCOc1ccccc1CN1CCC[C@H](C)C1 ZINC000215892734 384623341 /nfs/dbraw/zinc/62/33/41/384623341.db2.gz ACOWVPKUHIIMRR-ZDUSSCGKSA-N 0 3 233.355 3.317 20 0 BGADHN C[C@@H](NC1CSC1)c1cccc(Cl)c1 ZINC000215910245 353280298 /nfs/dbraw/zinc/28/02/98/353280298.db2.gz SUBXXINGUDFIBD-MRVPVSSYSA-N 0 3 227.760 3.106 20 0 BGADHN C[C@H](NC1CSC1)c1ccc(Cl)cc1 ZINC000215910427 490295018 /nfs/dbraw/zinc/29/50/18/490295018.db2.gz BZHOGANMWYDWFR-QMMMGPOBSA-N 0 3 227.760 3.106 20 0 BGADHN C[C@@H](NC1CSC1)c1ccc(Cl)cc1 ZINC000215910466 490295366 /nfs/dbraw/zinc/29/53/66/490295366.db2.gz BZHOGANMWYDWFR-MRVPVSSYSA-N 0 3 227.760 3.106 20 0 BGADHN Cc1nc(CN[C@@H]2CCC[C@@H](C)[C@H]2C)oc1C ZINC000216235720 355952169 /nfs/dbraw/zinc/95/21/69/355952169.db2.gz ZYOXJNWTRMEHBU-GIPNMCIBSA-N 0 3 236.359 3.206 20 0 BGADHN Cc1nc(CN[C@@H]2CCC[C@H](C)[C@H]2C)oc1C ZINC000216235757 133964913 /nfs/dbraw/zinc/96/49/13/133964913.db2.gz ZYOXJNWTRMEHBU-OPQQBVKSSA-N 0 3 236.359 3.206 20 0 BGADHN c1ccc(CNC2(c3ccccc3)CC2)cc1 ZINC000216296036 349992933 /nfs/dbraw/zinc/99/29/33/349992933.db2.gz VEWHVTLOHFIEMZ-UHFFFAOYSA-N 0 3 223.319 3.466 20 0 BGADHN CO[C@@H]1CCCC[C@@H]1N[C@@H](C)c1ccsc1 ZINC000216347287 349995201 /nfs/dbraw/zinc/99/52/01/349995201.db2.gz VBFORZAWIHRCCC-WCFLWFBJSA-N 0 3 239.384 3.356 20 0 BGADHN CO[C@@H]1CCCC[C@H]1N[C@@H](C)c1ccsc1 ZINC000216347335 349994897 /nfs/dbraw/zinc/99/48/97/349994897.db2.gz VBFORZAWIHRCCC-CYZMBNFOSA-N 0 3 239.384 3.356 20 0 BGADHN Cc1ccccc1N1CCN(CCC(C)C)CC1 ZINC000216613160 386710280 /nfs/dbraw/zinc/71/02/80/386710280.db2.gz JPWIVWGLYGBTOX-UHFFFAOYSA-N 0 3 246.398 3.163 20 0 BGADHN Cc1ccc(C)c([C@@H](C)NCCOCC2CC2)c1 ZINC000217771929 388572225 /nfs/dbraw/zinc/57/22/25/388572225.db2.gz NLAQLRQBASYRKA-CQSZACIVSA-N 0 3 247.382 3.381 20 0 BGADHN Cc1ccc(C)c([C@H](C)NCCOCC2CC2)c1 ZINC000217771998 388572974 /nfs/dbraw/zinc/57/29/74/388572974.db2.gz NLAQLRQBASYRKA-AWEZNQCLSA-N 0 3 247.382 3.381 20 0 BGADHN COc1ccc(CN2CCC[C@@H](C)[C@@H]2C)cc1O ZINC000217835413 385892775 /nfs/dbraw/zinc/89/27/75/385892775.db2.gz ZPYQVJRMVVDSOD-NEPJUHHUSA-N 0 3 249.354 3.021 20 0 BGADHN COc1ccc(CN2CCC[C@H](C)[C@@H]2C)cc1O ZINC000217835474 175100036 /nfs/dbraw/zinc/10/00/36/175100036.db2.gz ZPYQVJRMVVDSOD-RYUDHWBXSA-N 0 3 249.354 3.021 20 0 BGADHN COc1ccc(CN2CC[C@@H](C)C[C@@H]2C)cc1O ZINC000217840973 175101085 /nfs/dbraw/zinc/10/10/85/175101085.db2.gz HHQLBLJKXCPEAW-NEPJUHHUSA-N 0 3 249.354 3.021 20 0 BGADHN COc1ccc(CN2CC[C@H](C)C[C@@H]2C)cc1O ZINC000217841038 188355214 /nfs/dbraw/zinc/35/52/14/188355214.db2.gz HHQLBLJKXCPEAW-RYUDHWBXSA-N 0 3 249.354 3.021 20 0 BGADHN CC(C)CCCCCCNCc1ccn(C)n1 ZINC000218062525 592151650 /nfs/dbraw/zinc/15/16/50/592151650.db2.gz YBLOFCAWKCUZQN-UHFFFAOYSA-N 0 3 237.391 3.116 20 0 BGADHN CO[C@@H]1CCCC[C@@H]1N[C@@H](C)c1ccc(C)o1 ZINC000218080051 385895189 /nfs/dbraw/zinc/89/51/89/385895189.db2.gz UCEKUJMBOXYJMB-SGMGOOAPSA-N 0 3 237.343 3.196 20 0 BGADHN CO[C@@H]1CCCC[C@H]1N[C@@H](C)c1ccc(C)o1 ZINC000218080121 385895504 /nfs/dbraw/zinc/89/55/04/385895504.db2.gz UCEKUJMBOXYJMB-OUCADQQQSA-N 0 3 237.343 3.196 20 0 BGADHN CCCCOCCNCc1cccc2cc[nH]c21 ZINC000218162146 350085232 /nfs/dbraw/zinc/08/52/32/350085232.db2.gz KDOGMNKEGVLVRY-UHFFFAOYSA-N 0 3 246.354 3.074 20 0 BGADHN CO[C@@H]1CCCC[C@@H]1N[C@@H](C)c1cccc(O)c1 ZINC000218283911 536593570 /nfs/dbraw/zinc/59/35/70/536593570.db2.gz YCKYFJBBOCGERK-TUKIKUTGSA-N 0 3 249.354 3.000 20 0 BGADHN CO[C@@H]1CCCC[C@H]1N[C@@H](C)c1cccc(O)c1 ZINC000218283941 385898593 /nfs/dbraw/zinc/89/85/93/385898593.db2.gz YCKYFJBBOCGERK-NILFDRSVSA-N 0 3 249.354 3.000 20 0 BGADHN COc1cccc(CNC[C@@H]2CCC[C@@H](C)C2)n1 ZINC000218924985 134269112 /nfs/dbraw/zinc/26/91/12/134269112.db2.gz AQTWYCOVJBRJDL-CHWSQXEVSA-N 0 3 248.370 3.006 20 0 BGADHN COc1cccc(CNC[C@H]2CCC[C@@H](C)C2)n1 ZINC000218925048 134269042 /nfs/dbraw/zinc/26/90/42/134269042.db2.gz AQTWYCOVJBRJDL-OLZOCXBDSA-N 0 3 248.370 3.006 20 0 BGADHN COc1cccc(CNC[C@@H]2CCC[C@H](C)C2)n1 ZINC000218925134 134268774 /nfs/dbraw/zinc/26/87/74/134268774.db2.gz AQTWYCOVJBRJDL-QWHCGFSZSA-N 0 3 248.370 3.006 20 0 BGADHN COc1cccc(CNC[C@H]2CCC[C@H](C)C2)n1 ZINC000218925201 134268840 /nfs/dbraw/zinc/26/88/40/134268840.db2.gz AQTWYCOVJBRJDL-STQMWFEESA-N 0 3 248.370 3.006 20 0 BGADHN CC(C)n1ccc(CNC[C@@H]2CCC[C@@H](C)C2)n1 ZINC000218933806 357974154 /nfs/dbraw/zinc/97/41/54/357974154.db2.gz RPPMIIDVTMPYFZ-ZIAGYGMSSA-N 0 3 249.402 3.380 20 0 BGADHN CC(C)n1ccc(CNC[C@H]2CCC[C@@H](C)C2)n1 ZINC000218933875 357973925 /nfs/dbraw/zinc/97/39/25/357973925.db2.gz RPPMIIDVTMPYFZ-KGLIPLIRSA-N 0 3 249.402 3.380 20 0 BGADHN CC(C)n1ccc(CNC[C@@H]2CCC[C@H](C)C2)n1 ZINC000218933942 357973643 /nfs/dbraw/zinc/97/36/43/357973643.db2.gz RPPMIIDVTMPYFZ-UONOGXRCSA-N 0 3 249.402 3.380 20 0 BGADHN CC(C)n1ccc(CNC[C@H]2CCC[C@H](C)C2)n1 ZINC000218934005 357973980 /nfs/dbraw/zinc/97/39/80/357973980.db2.gz RPPMIIDVTMPYFZ-KBPBESRZSA-N 0 3 249.402 3.380 20 0 BGADHN CC1(CNCc2ccc(Cl)cc2F)CC1 ZINC000218966122 363133435 /nfs/dbraw/zinc/13/34/35/363133435.db2.gz SXTSDLGQDOURPE-UHFFFAOYSA-N 0 3 227.710 3.369 20 0 BGADHN CC(C)C(C)(C)C[NH2+]Cc1cc([O-])cc(F)c1 ZINC000218974725 350109477 /nfs/dbraw/zinc/10/94/77/350109477.db2.gz MAVOOHOXLWOXBV-UHFFFAOYSA-N 0 3 239.334 3.303 20 0 BGADHN Cc1ccoc1CNCC(C)(C)C(C)C ZINC000218975020 350109801 /nfs/dbraw/zinc/10/98/01/350109801.db2.gz YPFHBRACKGSCMO-UHFFFAOYSA-N 0 3 209.333 3.360 20 0 BGADHN CCc1nc(CNCC(C)(C)C(C)C)cs1 ZINC000218977573 350109909 /nfs/dbraw/zinc/10/99/09/350109909.db2.gz BYYXEJUCGJESMO-UHFFFAOYSA-N 0 3 240.416 3.477 20 0 BGADHN Cc1ccc(CNCC(C)(C)C(C)C)nc1 ZINC000218979486 350109562 /nfs/dbraw/zinc/10/95/62/350109562.db2.gz GDGPLTJMZXUYPC-UHFFFAOYSA-N 0 3 220.360 3.162 20 0 BGADHN Cc1nccnc1[C@@H](C)NCC1CCCCC1 ZINC000219075829 180280615 /nfs/dbraw/zinc/28/06/15/180280615.db2.gz CHJLRQMBDXMHRF-GFCCVEGCSA-N 0 3 233.359 3.016 20 0 BGADHN Cc1nccnc1[C@H](C)NCC1CCCCC1 ZINC000219075903 180282149 /nfs/dbraw/zinc/28/21/49/180282149.db2.gz CHJLRQMBDXMHRF-LBPRGKRZSA-N 0 3 233.359 3.016 20 0 BGADHN Cc1nccnc1[C@@H](C)NC1CCC(C)CC1 ZINC000219079865 134273508 /nfs/dbraw/zinc/27/35/08/134273508.db2.gz LKFHULDUYRWBLC-YXMLORGKSA-N 0 3 233.359 3.014 20 0 BGADHN Cc1nccnc1[C@H](C)NC1CCC(C)CC1 ZINC000219079946 134273748 /nfs/dbraw/zinc/27/37/48/134273748.db2.gz LKFHULDUYRWBLC-YDGIUTOCSA-N 0 3 233.359 3.014 20 0 BGADHN Cc1nccnc1[C@@H](C)NCCC1CCCCC1 ZINC000219090017 180279683 /nfs/dbraw/zinc/27/96/83/180279683.db2.gz QILNRNCTHMEMCA-GFCCVEGCSA-N 0 3 247.386 3.406 20 0 BGADHN Cc1nccnc1[C@H](C)NCCC1CCCCC1 ZINC000219090090 180282060 /nfs/dbraw/zinc/28/20/60/180282060.db2.gz QILNRNCTHMEMCA-LBPRGKRZSA-N 0 3 247.386 3.406 20 0 BGADHN Cc1nccnc1[C@H](C)NC[C@@H]1CCC[C@@H](C)C1 ZINC000219109894 134274485 /nfs/dbraw/zinc/27/44/85/134274485.db2.gz DHLWEAPGMNRQSR-KWCYVHTRSA-N 0 3 247.386 3.262 20 0 BGADHN Cc1nccnc1[C@H](C)NC[C@H]1CCC[C@@H](C)C1 ZINC000219110056 134274555 /nfs/dbraw/zinc/27/45/55/134274555.db2.gz DHLWEAPGMNRQSR-XBFCOCLRSA-N 0 3 247.386 3.262 20 0 BGADHN Cc1nccnc1[C@H](C)N[C@@H]1CCC[C@@H](C)C1 ZINC000219113223 134274767 /nfs/dbraw/zinc/27/47/67/134274767.db2.gz CIBQQCOJJXZDOO-KGYLQXTDSA-N 0 3 233.359 3.014 20 0 BGADHN Cc1nccnc1[C@H](C)N[C@H]1CCC[C@@H](C)C1 ZINC000219113362 134274811 /nfs/dbraw/zinc/27/48/11/134274811.db2.gz CIBQQCOJJXZDOO-WXHSDQCUSA-N 0 3 233.359 3.014 20 0 BGADHN Cc1nccnc1[C@H](C)N[C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000219142502 134274809 /nfs/dbraw/zinc/27/48/09/134274809.db2.gz VTQGUDOBFRZLAN-UVLXDEKHSA-N 0 3 247.386 3.260 20 0 BGADHN Cc1nccnc1[C@@H](C)NC[C@@H](C)C(C)(C)C ZINC000219145415 592211440 /nfs/dbraw/zinc/21/14/40/592211440.db2.gz KJNHPQCWABBFEY-ZYHUDNBSSA-N 0 3 235.375 3.118 20 0 BGADHN Cc1nccnc1[C@@H](C)NC[C@H](C)C(C)(C)C ZINC000219145546 592211595 /nfs/dbraw/zinc/21/15/95/592211595.db2.gz KJNHPQCWABBFEY-CMPLNLGQSA-N 0 3 235.375 3.118 20 0 BGADHN Cc1nccnc1[C@H](C)NC1C[C@H](C)C[C@@H](C)C1 ZINC000219157161 134274416 /nfs/dbraw/zinc/27/44/16/134274416.db2.gz ZTIZQVQJJXSDIS-WZRBSPASSA-N 0 3 247.386 3.260 20 0 BGADHN Cc1nccnc1[C@@H](C)NCCCCC(C)C ZINC000219157271 592211534 /nfs/dbraw/zinc/21/15/34/592211534.db2.gz RQRILBKQXWFPTN-GFCCVEGCSA-N 0 3 235.375 3.262 20 0 BGADHN Cc1nccnc1[C@H](C)NCCCCC(C)C ZINC000219157347 592211862 /nfs/dbraw/zinc/21/18/62/592211862.db2.gz RQRILBKQXWFPTN-LBPRGKRZSA-N 0 3 235.375 3.262 20 0 BGADHN CC(C)=CCNCc1ccccc1Cl ZINC000219161606 134274452 /nfs/dbraw/zinc/27/44/52/134274452.db2.gz TWCFCSBXGWAHPL-UHFFFAOYSA-N 0 3 209.720 3.396 20 0 BGADHN CC(C)=CCNCc1cccc(Cl)c1 ZINC000219161807 134274392 /nfs/dbraw/zinc/27/43/92/134274392.db2.gz PNCLHRVHSGTUAY-UHFFFAOYSA-N 0 3 209.720 3.396 20 0 BGADHN CS[C@@H]1CCCC[C@H]1NCc1ccco1 ZINC000219172867 372197434 /nfs/dbraw/zinc/19/74/34/372197434.db2.gz MVIDFUYBVJOBIE-VXGBXAGGSA-N 0 3 225.357 3.043 20 0 BGADHN CCC1(CN[C@@H](C)c2nccnc2C)CCC1 ZINC000219177018 385921948 /nfs/dbraw/zinc/92/19/48/385921948.db2.gz XKNSZXPDVUIAPE-LBPRGKRZSA-N 0 3 233.359 3.016 20 0 BGADHN CCC1(CN[C@H](C)c2nccnc2C)CCC1 ZINC000219177088 385920798 /nfs/dbraw/zinc/92/07/98/385920798.db2.gz XKNSZXPDVUIAPE-GFCCVEGCSA-N 0 3 233.359 3.016 20 0 BGADHN CS[C@@H]1CCCC[C@H]1NCc1ccc(C)o1 ZINC000219181261 355426136 /nfs/dbraw/zinc/42/61/36/355426136.db2.gz VBKVGOJMJYNSPZ-CHWSQXEVSA-N 0 3 239.384 3.352 20 0 BGADHN CCCCCC[C@@H](C)NCc1ccno1 ZINC000219192866 592213930 /nfs/dbraw/zinc/21/39/30/592213930.db2.gz KPEZFZHBYZZMTD-LLVKDONJSA-N 0 3 210.321 3.123 20 0 BGADHN CCCCCC[C@H](C)NCc1ccno1 ZINC000219192939 592213983 /nfs/dbraw/zinc/21/39/83/592213983.db2.gz KPEZFZHBYZZMTD-NSHDSACASA-N 0 3 210.321 3.123 20 0 BGADHN CC[C@H](C)C[C@@H](C)N[C@@H](C)c1nccnc1C ZINC000219193285 171295437 /nfs/dbraw/zinc/29/54/37/171295437.db2.gz HXVUJEFSOBZIAP-LOWVWBTDSA-N 0 3 235.375 3.260 20 0 BGADHN CC[C@H](C)C[C@H](C)N[C@@H](C)c1nccnc1C ZINC000219193442 171298326 /nfs/dbraw/zinc/29/83/26/171298326.db2.gz HXVUJEFSOBZIAP-GVXVVHGQSA-N 0 3 235.375 3.260 20 0 BGADHN Cc1nccnc1[C@@H](C)NCC1(C)CCCCC1 ZINC000219199300 180279859 /nfs/dbraw/zinc/27/98/59/180279859.db2.gz QYVJBZTZSJOMJM-CYBMUJFWSA-N 0 3 247.386 3.406 20 0 BGADHN Cc1nccnc1[C@H](C)NCC1(C)CCCCC1 ZINC000219199376 180281543 /nfs/dbraw/zinc/28/15/43/180281543.db2.gz QYVJBZTZSJOMJM-ZDUSSCGKSA-N 0 3 247.386 3.406 20 0 BGADHN CC[C@@H](N[C@@H](C)c1cn[nH]c1)c1cccc(F)c1 ZINC000219205321 350117815 /nfs/dbraw/zinc/11/78/15/350117815.db2.gz XWNKJKBPSCOOBU-IINYFYTJSA-N 0 3 247.317 3.351 20 0 BGADHN CC[C@H](N[C@@H](C)c1cn[nH]c1)c1cccc(F)c1 ZINC000219205400 385921061 /nfs/dbraw/zinc/92/10/61/385921061.db2.gz XWNKJKBPSCOOBU-HZMBPMFUSA-N 0 3 247.317 3.351 20 0 BGADHN CC[C@@H](N[C@H](C)c1cn[nH]c1)c1cccc(F)c1 ZINC000219205466 350117821 /nfs/dbraw/zinc/11/78/21/350117821.db2.gz XWNKJKBPSCOOBU-QMTHXVAHSA-N 0 3 247.317 3.351 20 0 BGADHN CC[C@H](N[C@H](C)c1cn[nH]c1)c1cccc(F)c1 ZINC000219205534 385921467 /nfs/dbraw/zinc/92/14/67/385921467.db2.gz XWNKJKBPSCOOBU-YGRLFVJLSA-N 0 3 247.317 3.351 20 0 BGADHN CS[C@@H]1CCCC[C@H]1NCc1ccoc1 ZINC000219210886 592216981 /nfs/dbraw/zinc/21/69/81/592216981.db2.gz NYCQLIBEMPMLPG-VXGBXAGGSA-N 0 3 225.357 3.043 20 0 BGADHN Cc1nccnc1[C@@H](C)N[C@@H]1CCC(C)(C)C1 ZINC000219213301 134276749 /nfs/dbraw/zinc/27/67/49/134276749.db2.gz FSHUCEOOTOAHQD-VXGBXAGGSA-N 0 3 233.359 3.014 20 0 BGADHN Cc1nccnc1[C@H](C)N[C@@H]1CCC(C)(C)C1 ZINC000219213374 134276278 /nfs/dbraw/zinc/27/62/78/134276278.db2.gz FSHUCEOOTOAHQD-NWDGAFQWSA-N 0 3 233.359 3.014 20 0 BGADHN Cc1nccnc1[C@@H](C)N[C@H]1CCC(C)(C)C1 ZINC000219213464 134276869 /nfs/dbraw/zinc/27/68/69/134276869.db2.gz FSHUCEOOTOAHQD-NEPJUHHUSA-N 0 3 233.359 3.014 20 0 BGADHN Cc1nccnc1[C@H](C)N[C@H]1CCC(C)(C)C1 ZINC000219213551 134277159 /nfs/dbraw/zinc/27/71/59/134277159.db2.gz FSHUCEOOTOAHQD-RYUDHWBXSA-N 0 3 233.359 3.014 20 0 BGADHN C[C@@H](NC[C@@H](O)c1ccsc1)c1ccccc1 ZINC000219222513 385925752 /nfs/dbraw/zinc/92/57/52/385925752.db2.gz ZGTSLWCWCVMOHX-BXUZGUMPSA-N 0 3 247.363 3.132 20 0 BGADHN C[C@H](NC[C@@H](O)c1ccsc1)c1ccccc1 ZINC000219222581 385925030 /nfs/dbraw/zinc/92/50/30/385925030.db2.gz ZGTSLWCWCVMOHX-SMDDNHRTSA-N 0 3 247.363 3.132 20 0 BGADHN C[C@@H](NC[C@H](O)c1ccsc1)c1ccccc1 ZINC000219222663 385924108 /nfs/dbraw/zinc/92/41/08/385924108.db2.gz ZGTSLWCWCVMOHX-RISCZKNCSA-N 0 3 247.363 3.132 20 0 BGADHN C[C@H](NC[C@H](O)c1ccsc1)c1ccccc1 ZINC000219222744 385925307 /nfs/dbraw/zinc/92/53/07/385925307.db2.gz ZGTSLWCWCVMOHX-FZMZJTMJSA-N 0 3 247.363 3.132 20 0 BGADHN Cc1nccnc1[C@H](C)N[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000219251090 134277139 /nfs/dbraw/zinc/27/71/39/134277139.db2.gz CDMTYVZJNCUNRR-UVLXDEKHSA-N 0 3 247.386 3.260 20 0 BGADHN CCC[C@@](C)(O)CN[C@@H](C)c1cc(C)oc1C ZINC000219266620 385924285 /nfs/dbraw/zinc/92/42/85/385924285.db2.gz SNEGXXDFVLXQMR-SMDDNHRTSA-N 0 3 239.359 3.098 20 0 BGADHN CCC[C@](C)(O)CN[C@@H](C)c1cc(C)oc1C ZINC000219266663 385925176 /nfs/dbraw/zinc/92/51/76/385925176.db2.gz SNEGXXDFVLXQMR-FZMZJTMJSA-N 0 3 239.359 3.098 20 0 BGADHN CCC[C@@](C)(O)CN[C@H](C)c1cc(C)oc1C ZINC000219266710 385925666 /nfs/dbraw/zinc/92/56/66/385925666.db2.gz SNEGXXDFVLXQMR-BXUZGUMPSA-N 0 3 239.359 3.098 20 0 BGADHN CCC[C@](C)(O)CN[C@H](C)c1cc(C)oc1C ZINC000219266756 169554772 /nfs/dbraw/zinc/55/47/72/169554772.db2.gz SNEGXXDFVLXQMR-RISCZKNCSA-N 0 3 239.359 3.098 20 0 BGADHN CC(C)C(C)(C)CN[C@@H](C)c1cscn1 ZINC000219268714 388588231 /nfs/dbraw/zinc/58/82/31/388588231.db2.gz ZZKARFSBDWQQOY-JTQLQIEISA-N 0 3 226.389 3.476 20 0 BGADHN CC(C)C(C)(C)CN[C@H](C)c1cscn1 ZINC000219268765 388589949 /nfs/dbraw/zinc/58/99/49/388589949.db2.gz ZZKARFSBDWQQOY-SNVBAGLBSA-N 0 3 226.389 3.476 20 0 BGADHN CO[C@@H]1C[C@@H](N[C@@H]2CCCc3occc32)C1(C)C ZINC000219282898 134277210 /nfs/dbraw/zinc/27/72/10/134277210.db2.gz YTGMOFFZKOUMIX-MRVWCRGKSA-N 0 3 249.354 3.060 20 0 BGADHN CO[C@@H]1C[C@H](N[C@@H]2CCCc3occc32)C1(C)C ZINC000219282973 536808876 /nfs/dbraw/zinc/80/88/76/536808876.db2.gz YTGMOFFZKOUMIX-KWCYVHTRSA-N 0 3 249.354 3.060 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CCO[C@@H]2C2CC2)c(C)o1 ZINC000219292578 350120117 /nfs/dbraw/zinc/12/01/17/350120117.db2.gz BWKUBOJPGAXHKA-COLVAYQJSA-N 0 3 249.354 3.115 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2CCO[C@@H]2C2CC2)c(C)o1 ZINC000219292635 350120382 /nfs/dbraw/zinc/12/03/82/350120382.db2.gz BWKUBOJPGAXHKA-NZVBXONLSA-N 0 3 249.354 3.115 20 0 BGADHN COC1(CN[C@@H](C)c2cc(C)oc2C)CCC1 ZINC000219296842 350120521 /nfs/dbraw/zinc/12/05/21/350120521.db2.gz XBLBDAJTUSLQNY-NSHDSACASA-N 0 3 237.343 3.116 20 0 BGADHN COC1(CN[C@H](C)c2cc(C)oc2C)CCC1 ZINC000219296865 350121182 /nfs/dbraw/zinc/12/11/82/350121182.db2.gz XBLBDAJTUSLQNY-LLVKDONJSA-N 0 3 237.343 3.116 20 0 BGADHN Cc1ccc([O-])c(C[NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)n1 ZINC000219368467 134281437 /nfs/dbraw/zinc/28/14/37/134281437.db2.gz GCPMBPHQPDWMDW-NTZNESFSSA-N 0 3 248.370 3.010 20 0 BGADHN Cc1ccc([O-])c(C[NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)n1 ZINC000219368622 350124302 /nfs/dbraw/zinc/12/43/02/350124302.db2.gz GCPMBPHQPDWMDW-GMXVVIOVSA-N 0 3 248.370 3.010 20 0 BGADHN CC(C)=CCNCc1ccc(OC(F)F)cc1 ZINC000219379436 388591109 /nfs/dbraw/zinc/59/11/09/388591109.db2.gz OEVXLOPMZYBMPZ-UHFFFAOYSA-N 0 3 241.281 3.344 20 0 BGADHN CC[C@@H](C)NCc1csc(C(C)(C)C)n1 ZINC000219422787 385929680 /nfs/dbraw/zinc/92/96/80/385929680.db2.gz GBIDUSIOMVJHLZ-SECBINFHSA-N 0 3 226.389 3.329 20 0 BGADHN CC[C@H](C)NCc1csc(C(C)(C)C)n1 ZINC000219422865 171344320 /nfs/dbraw/zinc/34/43/20/171344320.db2.gz GBIDUSIOMVJHLZ-VIFPVBQESA-N 0 3 226.389 3.329 20 0 BGADHN COc1ccc(OC)c([C@@H](C)NCC=C(C)C)c1 ZINC000219433612 134285377 /nfs/dbraw/zinc/28/53/77/134285377.db2.gz UKZADLBSZKQUBP-GFCCVEGCSA-N 0 3 249.354 3.321 20 0 BGADHN COc1ccc(OC)c([C@H](C)NCC=C(C)C)c1 ZINC000219433701 350126879 /nfs/dbraw/zinc/12/68/79/350126879.db2.gz UKZADLBSZKQUBP-LBPRGKRZSA-N 0 3 249.354 3.321 20 0 BGADHN C/C=C/CN[C@@H](C)c1ccc(CC)cc1 ZINC000220098775 411201143 /nfs/dbraw/zinc/20/11/43/411201143.db2.gz YTNORBAPMMLLMS-FUEXJSSKSA-N 0 3 203.329 3.476 20 0 BGADHN C/C=C/CN[C@H](C)c1ccc(CC)cc1 ZINC000220098843 487830004 /nfs/dbraw/zinc/83/00/04/487830004.db2.gz YTNORBAPMMLLMS-FVOPLDGLSA-N 0 3 203.329 3.476 20 0 BGADHN C[C@@H]1C[C@@H](Nc2ccnc3ccccc32)CCO1 ZINC000220099444 176380322 /nfs/dbraw/zinc/38/03/22/176380322.db2.gz PULPFXCMPSQBEK-NEPJUHHUSA-N 0 3 242.322 3.214 20 0 BGADHN C[C@H]1C[C@@H](Nc2ccnc3ccccc32)CCO1 ZINC000220099506 177334979 /nfs/dbraw/zinc/33/49/79/177334979.db2.gz PULPFXCMPSQBEK-RYUDHWBXSA-N 0 3 242.322 3.214 20 0 BGADHN C[C@@H]1C[C@H](Nc2ccnc3ccccc32)CCO1 ZINC000220099580 387917665 /nfs/dbraw/zinc/91/76/65/387917665.db2.gz PULPFXCMPSQBEK-VXGBXAGGSA-N 0 3 242.322 3.214 20 0 BGADHN C[C@H]1C[C@H](Nc2ccnc3ccccc32)CCO1 ZINC000220099656 177372616 /nfs/dbraw/zinc/37/26/16/177372616.db2.gz PULPFXCMPSQBEK-NWDGAFQWSA-N 0 3 242.322 3.214 20 0 BGADHN C/C=C/CNCc1cccc(C(F)(F)F)c1 ZINC000220106040 344021085 /nfs/dbraw/zinc/02/10/85/344021085.db2.gz FTBVAUFLLHWIBO-NSCUHMNNSA-N 0 3 229.245 3.371 20 0 BGADHN c1cc(CN[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)on1 ZINC000220153445 592283164 /nfs/dbraw/zinc/28/31/64/592283164.db2.gz LYRTYFQZRDNOGD-YNEHKIRRSA-N 0 3 234.343 3.123 20 0 BGADHN c1cc(CN[C@@H]2CC[C@H]3CCCC[C@@H]3C2)on1 ZINC000220153590 592283355 /nfs/dbraw/zinc/28/33/55/592283355.db2.gz LYRTYFQZRDNOGD-JHJVBQTASA-N 0 3 234.343 3.123 20 0 BGADHN CC(C)=CCNCc1ccc(C)c(F)c1 ZINC000220155159 134300992 /nfs/dbraw/zinc/30/09/92/134300992.db2.gz HSPYYJJICCZQAS-UHFFFAOYSA-N 0 3 207.292 3.190 20 0 BGADHN CC(C)=CCN[C@@H]1CCc2ccccc21 ZINC000220155564 535371063 /nfs/dbraw/zinc/37/10/63/535371063.db2.gz NIDFTIUVNDLGNQ-CQSZACIVSA-N 0 3 201.313 3.230 20 0 BGADHN CC(C)=CCN[C@H]1CCc2ccccc21 ZINC000220155637 134301359 /nfs/dbraw/zinc/30/13/59/134301359.db2.gz NIDFTIUVNDLGNQ-AWEZNQCLSA-N 0 3 201.313 3.230 20 0 BGADHN CC(C)=CCNCc1ccc(F)c(C)c1 ZINC000220156824 388600964 /nfs/dbraw/zinc/60/09/64/388600964.db2.gz PTTBPJUHKIHXOS-UHFFFAOYSA-N 0 3 207.292 3.190 20 0 BGADHN Cc1noc(C)c1[C@H](C)N[C@@H]1CC[C@@H](C)C1 ZINC000220411677 490599252 /nfs/dbraw/zinc/59/92/52/490599252.db2.gz CNJBBPFSZXCNFC-VDDIYKPWSA-N 0 3 222.332 3.131 20 0 BGADHN Cc1noc(C)c1[C@H](C)N[C@H]1CC[C@@H](C)C1 ZINC000220411799 490599267 /nfs/dbraw/zinc/59/92/67/490599267.db2.gz CNJBBPFSZXCNFC-PTRXPTGYSA-N 0 3 222.332 3.131 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H]2CCS[C@@H]2C)o1 ZINC000220496366 490602746 /nfs/dbraw/zinc/60/27/46/490602746.db2.gz LODDAPXXLQPMFT-HBNTYKKESA-N 0 3 225.357 3.133 20 0 BGADHN Cc1ccc([C@H](C)N[C@H]2CCS[C@@H]2C)o1 ZINC000220496506 490602639 /nfs/dbraw/zinc/60/26/39/490602639.db2.gz LODDAPXXLQPMFT-AXFHLTTASA-N 0 3 225.357 3.133 20 0 BGADHN C[C@H](N[C@@H]1CCS[C@@H]1C)c1ccccc1F ZINC000220514133 490604335 /nfs/dbraw/zinc/60/43/35/490604335.db2.gz KHWPSZKFTSZXIA-OPQQBVKSSA-N 0 3 239.359 3.370 20 0 BGADHN C[C@H](N[C@H]1CCS[C@@H]1C)c1ccccc1F ZINC000220514256 490604351 /nfs/dbraw/zinc/60/43/51/490604351.db2.gz KHWPSZKFTSZXIA-CWSCBRNRSA-N 0 3 239.359 3.370 20 0 BGADHN C[C@@H]1SCC[C@@H]1NCc1ccccc1Cl ZINC000220530887 490607412 /nfs/dbraw/zinc/60/74/12/490607412.db2.gz HDBSCSUOFVZEFF-CABZTGNLSA-N 0 3 241.787 3.324 20 0 BGADHN C[C@H]1SCC[C@@H]1NCc1ccccc1Cl ZINC000220530947 490607447 /nfs/dbraw/zinc/60/74/47/490607447.db2.gz HDBSCSUOFVZEFF-SKDRFNHKSA-N 0 3 241.787 3.324 20 0 BGADHN C[C@@H]1SCC[C@H]1NCc1ccccc1Cl ZINC000220531008 490607351 /nfs/dbraw/zinc/60/73/51/490607351.db2.gz HDBSCSUOFVZEFF-JOYOIKCWSA-N 0 3 241.787 3.324 20 0 BGADHN C[C@H]1SCC[C@H]1NCc1ccccc1Cl ZINC000220531073 490607617 /nfs/dbraw/zinc/60/76/17/490607617.db2.gz HDBSCSUOFVZEFF-BXKDBHETSA-N 0 3 241.787 3.324 20 0 BGADHN CC(C)CCOCCNC/C=C\c1ccccc1 ZINC000220541456 592314841 /nfs/dbraw/zinc/31/48/41/592314841.db2.gz LAIFWWQDLKKQJM-TWGQIWQCSA-N 0 3 247.382 3.352 20 0 BGADHN Cc1cccc(CNC/C=C\c2ccccc2)n1 ZINC000220552483 322901210 /nfs/dbraw/zinc/90/12/10/322901210.db2.gz UCSAUFAFFVZNKQ-POHAHGRESA-N 0 3 238.334 3.193 20 0 BGADHN C[C@@H]1SCC[C@@H]1NCc1ccc(Cl)s1 ZINC000220553313 538109789 /nfs/dbraw/zinc/10/97/89/538109789.db2.gz CPAJRJITFSOAGX-CBAPKCEASA-N 0 3 247.816 3.385 20 0 BGADHN C[C@H]1SCC[C@@H]1NCc1ccc(Cl)s1 ZINC000220553379 538109914 /nfs/dbraw/zinc/10/99/14/538109914.db2.gz CPAJRJITFSOAGX-APPZFPTMSA-N 0 3 247.816 3.385 20 0 BGADHN C[C@@H]1SCC[C@H]1NCc1ccc(Cl)s1 ZINC000220553442 491133314 /nfs/dbraw/zinc/13/33/14/491133314.db2.gz CPAJRJITFSOAGX-IONNQARKSA-N 0 3 247.816 3.385 20 0 BGADHN C[C@H]1SCC[C@H]1NCc1ccc(Cl)s1 ZINC000220553511 491133312 /nfs/dbraw/zinc/13/33/12/491133312.db2.gz CPAJRJITFSOAGX-VXNVDRBHSA-N 0 3 247.816 3.385 20 0 BGADHN C[C@H](NC/C=C\c1ccccc1)c1cccnc1 ZINC000220561443 134309507 /nfs/dbraw/zinc/30/95/07/134309507.db2.gz WEKXNDVJKLTDRE-UQYHUFHVSA-N 0 3 238.334 3.446 20 0 BGADHN C[C@@H](NC/C=C\c1ccccc1)c1cccnc1 ZINC000220561517 134309916 /nfs/dbraw/zinc/30/99/16/134309916.db2.gz WEKXNDVJKLTDRE-VYLZPFMQSA-N 0 3 238.334 3.446 20 0 BGADHN C[C@H](NC/C=C\c1ccccc1)c1ccccn1 ZINC000220561611 134309618 /nfs/dbraw/zinc/30/96/18/134309618.db2.gz MDTLNFRZAGHPOT-YHAOYDPOSA-N 0 3 238.334 3.446 20 0 BGADHN C[C@@H](NC/C=C\c1ccccc1)c1ccccn1 ZINC000220561682 134309909 /nfs/dbraw/zinc/30/99/09/134309909.db2.gz MDTLNFRZAGHPOT-JKEYDSJLSA-N 0 3 238.334 3.446 20 0 BGADHN C[C@@H]1SCC[C@@H]1N[C@@H]1CCCc2occc21 ZINC000220580902 490618141 /nfs/dbraw/zinc/61/81/41/490618141.db2.gz HKQCLIONECWQSS-ZMLRMANQSA-N 0 3 237.368 3.141 20 0 BGADHN C[C@@H]1SCC[C@H]1N[C@@H]1CCCc2occc21 ZINC000220581049 490618164 /nfs/dbraw/zinc/61/81/64/490618164.db2.gz HKQCLIONECWQSS-MVWJERBFSA-N 0 3 237.368 3.141 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CCS[C@@H]2C)c(C)o1 ZINC000220646111 490073500 /nfs/dbraw/zinc/07/35/00/490073500.db2.gz GHZOOMKSXLPMHQ-UFGOTCBOSA-N 0 3 239.384 3.441 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2CCS[C@@H]2C)c(C)o1 ZINC000220646237 490073521 /nfs/dbraw/zinc/07/35/21/490073521.db2.gz GHZOOMKSXLPMHQ-NDMJEZRESA-N 0 3 239.384 3.441 20 0 BGADHN Cc1csc(CN[C@@H]2CC[C@@H](C)[C@@H](C)C2)n1 ZINC000220660206 134311569 /nfs/dbraw/zinc/31/15/69/134311569.db2.gz VVCIKIBWSUKIKM-JFGNBEQYSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1csc(CN[C@@H]2CC[C@H](C)[C@@H](C)C2)n1 ZINC000220660324 134311867 /nfs/dbraw/zinc/31/18/67/134311867.db2.gz VVCIKIBWSUKIKM-JBLDHEPKSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1nc(CN[C@@H]2CC[C@@H](C)[C@@H](C)C2)cs1 ZINC000220663320 134311896 /nfs/dbraw/zinc/31/18/96/134311896.db2.gz ROYDCCTZPXWPGT-JFGNBEQYSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1nc(CN[C@@H]2CC[C@H](C)[C@@H](C)C2)cs1 ZINC000220663449 134311690 /nfs/dbraw/zinc/31/16/90/134311690.db2.gz ROYDCCTZPXWPGT-JBLDHEPKSA-N 0 3 238.400 3.366 20 0 BGADHN Clc1csc(CN[C@@H]2CCCSC2)c1 ZINC000220678388 385972982 /nfs/dbraw/zinc/97/29/82/385972982.db2.gz KVOUSSGGIAQKPW-SECBINFHSA-N 0 3 247.816 3.387 20 0 BGADHN Clc1csc(CN[C@H]2CCCSC2)c1 ZINC000220678454 385971870 /nfs/dbraw/zinc/97/18/70/385971870.db2.gz KVOUSSGGIAQKPW-VIFPVBQESA-N 0 3 247.816 3.387 20 0 BGADHN CC(C)CCCNC(C)(C)c1nccs1 ZINC000220718605 388606996 /nfs/dbraw/zinc/60/69/96/388606996.db2.gz VYTUASSTWKOLKC-UHFFFAOYSA-N 0 3 226.389 3.404 20 0 BGADHN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NCc1ccon1 ZINC000220719241 388607749 /nfs/dbraw/zinc/60/77/49/388607749.db2.gz BWHNMTMUQZIJCD-BNOWGMLFSA-N 0 3 236.359 3.225 20 0 BGADHN C[C@@H](N[C@@H]1CCC[C@@H](C)C1)c1ccc(F)cn1 ZINC000220748165 176123957 /nfs/dbraw/zinc/12/39/57/176123957.db2.gz SSFSOSUKTCAOQA-NQBHXWOUSA-N 0 3 236.334 3.450 20 0 BGADHN C[C@@H](N[C@H]1CCC[C@@H](C)C1)c1ccc(F)cn1 ZINC000220748239 176145052 /nfs/dbraw/zinc/14/50/52/176145052.db2.gz SSFSOSUKTCAOQA-WZRBSPASSA-N 0 3 236.334 3.450 20 0 BGADHN CC(C)CCC[NH2+]Cc1ccc([O-])c(F)c1 ZINC000220752909 134311124 /nfs/dbraw/zinc/31/11/24/134311124.db2.gz VIAYREHBWUZSAG-UHFFFAOYSA-N 0 3 225.307 3.057 20 0 BGADHN COc1ccc(CNCCC(C)(C)C)c(F)c1 ZINC000220789844 388607121 /nfs/dbraw/zinc/60/71/21/388607121.db2.gz JRMPEQOLIWEYTA-UHFFFAOYSA-N 0 3 239.334 3.360 20 0 BGADHN COc1ccc(CNCCCC(C)C)c(F)c1 ZINC000220789919 259516105 /nfs/dbraw/zinc/51/61/05/259516105.db2.gz XUYUTWCZTYGKNF-UHFFFAOYSA-N 0 3 239.334 3.360 20 0 BGADHN Cc1cnc([C@H](C)N[C@@H]2CCCC[C@@H]2C)o1 ZINC000220883769 134316492 /nfs/dbraw/zinc/31/64/92/134316492.db2.gz RIYGIWBVKDGXHJ-ZMLRMANQSA-N 0 3 222.332 3.212 20 0 BGADHN Cc1cnc([C@H](C)N[C@H]2CCCC[C@@H]2C)o1 ZINC000220883889 134316653 /nfs/dbraw/zinc/31/66/53/134316653.db2.gz RIYGIWBVKDGXHJ-DLOVCJGASA-N 0 3 222.332 3.212 20 0 BGADHN Cc1cnc([C@H](C)N[C@@H]2CCC[C@@H](C)[C@@H]2C)o1 ZINC000220892250 134313287 /nfs/dbraw/zinc/31/32/87/134313287.db2.gz CSUJZVBPQSBQHH-LPTSXCQYSA-N 0 3 236.359 3.458 20 0 BGADHN C[C@@H](N[C@@H]1CCC[C@@H](C)CC1)c1ncc[nH]1 ZINC000221149279 134316926 /nfs/dbraw/zinc/31/69/26/134316926.db2.gz WRDKJXSUEZYYKQ-IJLUTSLNSA-N 0 3 221.348 3.029 20 0 BGADHN C[C@@H](N[C@H]1CCC[C@@H](C)CC1)c1ncc[nH]1 ZINC000221149334 134317098 /nfs/dbraw/zinc/31/70/98/134317098.db2.gz WRDKJXSUEZYYKQ-UTUOFQBUSA-N 0 3 221.348 3.029 20 0 BGADHN COC1CC(N[C@@H](C)c2ccccc2Cl)C1 ZINC000221250965 536720781 /nfs/dbraw/zinc/72/07/81/536720781.db2.gz RNLCLAITVKGSOT-WHXUTIOJSA-N 0 3 239.746 3.168 20 0 BGADHN C[C@@]1(NCc2cc3ccccc3o2)CCCOC1 ZINC000221350295 134320736 /nfs/dbraw/zinc/32/07/36/134320736.db2.gz OAUSKMPRSXZDCH-OAHLLOKOSA-N 0 3 245.322 3.092 20 0 BGADHN C[C@]1(NCc2cc3ccccc3o2)CCCOC1 ZINC000221350342 134320785 /nfs/dbraw/zinc/32/07/85/134320785.db2.gz OAUSKMPRSXZDCH-HNNXBMFYSA-N 0 3 245.322 3.092 20 0 BGADHN Cc1cc(CN[C@@]2(C)CCCOC2)c(C)s1 ZINC000221352020 358082340 /nfs/dbraw/zinc/08/23/40/358082340.db2.gz HQMZLIZXWOTWIU-ZDUSSCGKSA-N 0 3 239.384 3.024 20 0 BGADHN Cc1cc(CN[C@]2(C)CCCOC2)c(C)s1 ZINC000221352068 358082483 /nfs/dbraw/zinc/08/24/83/358082483.db2.gz HQMZLIZXWOTWIU-CYBMUJFWSA-N 0 3 239.384 3.024 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CN[C@@]2(C)CCCOC2)o1 ZINC000221359118 134320550 /nfs/dbraw/zinc/32/05/50/134320550.db2.gz JGFHPEVISNYOOB-ZLDLUXBVSA-N 0 3 249.354 3.062 20 0 BGADHN C[C@@H]1C[C@H]1c1ccc(CN[C@@]2(C)CCCOC2)o1 ZINC000221359235 134320562 /nfs/dbraw/zinc/32/05/62/134320562.db2.gz JGFHPEVISNYOOB-KYOSRNDESA-N 0 3 249.354 3.062 20 0 BGADHN C[C@@]1(NCc2ccc(Cl)s2)CCCOC1 ZINC000221359369 385490696 /nfs/dbraw/zinc/49/06/96/385490696.db2.gz JNSBQUULEZKHLD-LLVKDONJSA-N 0 3 245.775 3.060 20 0 BGADHN C[C@]1(NCc2ccc(Cl)s2)CCCOC1 ZINC000221359423 385489433 /nfs/dbraw/zinc/48/94/33/385489433.db2.gz JNSBQUULEZKHLD-NSHDSACASA-N 0 3 245.775 3.060 20 0 BGADHN C[C@@]1(NCc2coc3ccccc23)CCCOC1 ZINC000221360315 134320671 /nfs/dbraw/zinc/32/06/71/134320671.db2.gz LABCZDVJTTZOAX-OAHLLOKOSA-N 0 3 245.322 3.092 20 0 BGADHN C[C@]1(NCc2coc3ccccc23)CCCOC1 ZINC000221360369 134320865 /nfs/dbraw/zinc/32/08/65/134320865.db2.gz LABCZDVJTTZOAX-HNNXBMFYSA-N 0 3 245.322 3.092 20 0 BGADHN Cc1noc(C)c1CN[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000221368712 134322993 /nfs/dbraw/zinc/32/29/93/134322993.db2.gz NMLRILCOOVYFMW-GBIKHYSHSA-N 0 3 236.359 3.206 20 0 BGADHN Cc1noc(C)c1CN[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000221368813 134324008 /nfs/dbraw/zinc/32/40/08/134324008.db2.gz NMLRILCOOVYFMW-OUJBWJOFSA-N 0 3 236.359 3.206 20 0 BGADHN Cc1ccc([O-])c(C[NH2+]CCCC2CCCC2)n1 ZINC000221377507 582826634 /nfs/dbraw/zinc/82/66/34/582826634.db2.gz NOINCZFQCHZXJA-UHFFFAOYSA-N 0 3 248.370 3.156 20 0 BGADHN CC(C)[C@@H]1CCC[C@@H](NCc2cscn2)C1 ZINC000221387264 259373037 /nfs/dbraw/zinc/37/30/37/259373037.db2.gz ODFIRHWRCFEVSX-VXGBXAGGSA-N 0 3 238.400 3.448 20 0 BGADHN CC(C)[C@H]1CCC[C@@H](NCc2cscn2)C1 ZINC000221387325 259372999 /nfs/dbraw/zinc/37/29/99/259372999.db2.gz ODFIRHWRCFEVSX-NWDGAFQWSA-N 0 3 238.400 3.448 20 0 BGADHN CC(C)[C@@H]1CCC[C@H](NCc2cscn2)C1 ZINC000221387391 259373023 /nfs/dbraw/zinc/37/30/23/259373023.db2.gz ODFIRHWRCFEVSX-NEPJUHHUSA-N 0 3 238.400 3.448 20 0 BGADHN CC(C)[C@H]1CCC[C@H](NCc2cscn2)C1 ZINC000221387454 259372874 /nfs/dbraw/zinc/37/28/74/259372874.db2.gz ODFIRHWRCFEVSX-RYUDHWBXSA-N 0 3 238.400 3.448 20 0 BGADHN CC(C)[C@@H]1CCC[C@@H](NCc2nccs2)C1 ZINC000221388994 344739792 /nfs/dbraw/zinc/73/97/92/344739792.db2.gz OTRWIYPPIGANEN-VXGBXAGGSA-N 0 3 238.400 3.448 20 0 BGADHN CC(C)[C@H]1CCC[C@@H](NCc2nccs2)C1 ZINC000221389044 344739513 /nfs/dbraw/zinc/73/95/13/344739513.db2.gz OTRWIYPPIGANEN-NWDGAFQWSA-N 0 3 238.400 3.448 20 0 BGADHN CC(C)[C@@H]1CCC[C@H](NCc2nccs2)C1 ZINC000221389104 350209524 /nfs/dbraw/zinc/20/95/24/350209524.db2.gz OTRWIYPPIGANEN-NEPJUHHUSA-N 0 3 238.400 3.448 20 0 BGADHN CC(C)[C@H]1CCC[C@H](NCc2nccs2)C1 ZINC000221389156 344739423 /nfs/dbraw/zinc/73/94/23/344739423.db2.gz OTRWIYPPIGANEN-RYUDHWBXSA-N 0 3 238.400 3.448 20 0 BGADHN CS[C@@H]1CC[C@@H](N[C@@H](C)c2nccs2)C1 ZINC000221547308 592431626 /nfs/dbraw/zinc/43/16/26/592431626.db2.gz VSSSLZWVWIHKLA-IVZWLZJFSA-N 0 3 242.413 3.078 20 0 BGADHN CS[C@@H]1CC[C@H](N[C@@H](C)c2nccs2)C1 ZINC000221547359 592431436 /nfs/dbraw/zinc/43/14/36/592431436.db2.gz VSSSLZWVWIHKLA-LPEHRKFASA-N 0 3 242.413 3.078 20 0 BGADHN Cc1ccc([C@@H](C)NCC(C)(C)CCCO)o1 ZINC000221610474 386010096 /nfs/dbraw/zinc/01/00/96/386010096.db2.gz RZIDEYXLAVXKNV-GFCCVEGCSA-N 0 3 239.359 3.037 20 0 BGADHN Cc1ccc([C@H](C)NCC(C)(C)CCCO)o1 ZINC000221610527 188009484 /nfs/dbraw/zinc/00/94/84/188009484.db2.gz RZIDEYXLAVXKNV-LBPRGKRZSA-N 0 3 239.359 3.037 20 0 BGADHN CO[C@@H](C)[C@@H](C)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000221690514 398049066 /nfs/dbraw/zinc/04/90/66/398049066.db2.gz ZWIGDCPCXQWLOX-UTLUCORTSA-N 0 3 243.297 3.039 20 0 BGADHN CO[C@@H](C)[C@@H](C)N[C@@H](C)c1cccc(Cl)c1 ZINC000221715733 386018153 /nfs/dbraw/zinc/01/81/53/386018153.db2.gz RJPUEAQVWUJILM-VWYCJHECSA-N 0 3 241.762 3.414 20 0 BGADHN CO[C@@H](C)[C@@H](C)N[C@@H](C)c1ccc(Cl)cc1 ZINC000221716459 386017219 /nfs/dbraw/zinc/01/72/19/386017219.db2.gz CWZRSMFXJUFTTK-VWYCJHECSA-N 0 3 241.762 3.414 20 0 BGADHN CC/C=C(\C)C(=O)Nc1cccc(CN(C)C)c1 ZINC000221722227 633856293 /nfs/dbraw/zinc/85/62/93/633856293.db2.gz GMCIQCMYVXZYBO-KPKJPENVSA-N 0 3 246.354 3.043 20 0 BGADHN CO[C@@H](C)[C@@H](C)N[C@@H](C)c1ccc(F)cc1F ZINC000221734120 385696678 /nfs/dbraw/zinc/69/66/78/385696678.db2.gz XICLFWAJIBKKIW-UTLUCORTSA-N 0 3 243.297 3.039 20 0 BGADHN CO[C@@H](C)[C@@H](C)N[C@@H](C)c1ccc(Cl)s1 ZINC000221885549 385765298 /nfs/dbraw/zinc/76/52/98/385765298.db2.gz QEKHVHOBOQPBQG-VGMNWLOBSA-N 0 3 247.791 3.476 20 0 BGADHN C[C@@H](N[C@@H](C)Cc1ccco1)c1cncc(F)c1 ZINC000221888433 592462743 /nfs/dbraw/zinc/46/27/43/592462743.db2.gz DRJQIKWWCUNMLX-WDEREUQCSA-N 0 3 248.301 3.096 20 0 BGADHN C[C@H](Cc1ccco1)N[C@H](C)c1cncc(F)c1 ZINC000221888485 592463007 /nfs/dbraw/zinc/46/30/07/592463007.db2.gz DRJQIKWWCUNMLX-GHMZBOCLSA-N 0 3 248.301 3.096 20 0 BGADHN CO[C@@H](C)[C@@H](C)N[C@@H](C)c1cc(F)ccc1F ZINC000221896317 385782237 /nfs/dbraw/zinc/78/22/37/385782237.db2.gz SIAYCTZLRUILOV-UTLUCORTSA-N 0 3 243.297 3.039 20 0 BGADHN C[C@@H]1CC[C@@H](C)[C@@H](NCc2nccs2)C1 ZINC000222023565 134329393 /nfs/dbraw/zinc/32/93/93/134329393.db2.gz ZYZMQLUBTOBVOH-MXWKQRLJSA-N 0 3 224.373 3.057 20 0 BGADHN C[C@@H]1CC[C@H](C)[C@@H](NCc2nccs2)C1 ZINC000222023661 134329308 /nfs/dbraw/zinc/32/93/08/134329308.db2.gz ZYZMQLUBTOBVOH-VWYCJHECSA-N 0 3 224.373 3.057 20 0 BGADHN Oc1ccc(CNC/C=C\c2ccccc2)cc1 ZINC000222027809 345747543 /nfs/dbraw/zinc/74/75/43/345747543.db2.gz JABSLWBEVJBROE-DAXSKMNVSA-N 0 3 239.318 3.195 20 0 BGADHN Cc1ccc([C@@H](C)NC[C@@H]2CC2(C)C)o1 ZINC000222029961 134329083 /nfs/dbraw/zinc/32/90/83/134329083.db2.gz GUUVNANYXKASTC-MNOVXSKESA-N 0 3 207.317 3.285 20 0 BGADHN Cc1ccc([C@H](C)NC[C@@H]2CC2(C)C)o1 ZINC000222030021 134329131 /nfs/dbraw/zinc/32/91/31/134329131.db2.gz GUUVNANYXKASTC-QWRGUYRKSA-N 0 3 207.317 3.285 20 0 BGADHN Cc1ccc([C@@H](C)NC[C@H]2CC2(C)C)o1 ZINC000222030074 134329093 /nfs/dbraw/zinc/32/90/93/134329093.db2.gz GUUVNANYXKASTC-GHMZBOCLSA-N 0 3 207.317 3.285 20 0 BGADHN Cc1ccc([C@H](C)NC[C@H]2CC2(C)C)o1 ZINC000222030129 134329137 /nfs/dbraw/zinc/32/91/37/134329137.db2.gz GUUVNANYXKASTC-WDEREUQCSA-N 0 3 207.317 3.285 20 0 BGADHN Cc1nc([C@@H](C)NC[C@@H]2CC2(C)C)cs1 ZINC000222033252 350229489 /nfs/dbraw/zinc/22/94/89/350229489.db2.gz NUTHLWTWTGCEBK-SCZZXKLOSA-N 0 3 224.373 3.148 20 0 BGADHN Cc1nc([C@H](C)NC[C@@H]2CC2(C)C)cs1 ZINC000222033326 134329361 /nfs/dbraw/zinc/32/93/61/134329361.db2.gz NUTHLWTWTGCEBK-WPRPVWTQSA-N 0 3 224.373 3.148 20 0 BGADHN Cc1nc([C@@H](C)NC[C@H]2CC2(C)C)cs1 ZINC000222033387 134329200 /nfs/dbraw/zinc/32/92/00/134329200.db2.gz NUTHLWTWTGCEBK-PSASIEDQSA-N 0 3 224.373 3.148 20 0 BGADHN Cc1nc([C@H](C)NC[C@H]2CC2(C)C)cs1 ZINC000222033446 134329468 /nfs/dbraw/zinc/32/94/68/134329468.db2.gz NUTHLWTWTGCEBK-WCBMZHEXSA-N 0 3 224.373 3.148 20 0 BGADHN Cc1nc([C@@H](C)NC[C@@H]2CC2(C)C)c(C)s1 ZINC000222040068 490465251 /nfs/dbraw/zinc/46/52/51/490465251.db2.gz REUZINOYCFFWPY-KCJUWKMLSA-N 0 3 238.400 3.457 20 0 BGADHN Cc1nc([C@H](C)NC[C@@H]2CC2(C)C)c(C)s1 ZINC000222040126 490465290 /nfs/dbraw/zinc/46/52/90/490465290.db2.gz REUZINOYCFFWPY-KWQFWETISA-N 0 3 238.400 3.457 20 0 BGADHN Cc1nc([C@@H](C)NC[C@H]2CC2(C)C)c(C)s1 ZINC000222040181 490465160 /nfs/dbraw/zinc/46/51/60/490465160.db2.gz REUZINOYCFFWPY-LDYMZIIASA-N 0 3 238.400 3.457 20 0 BGADHN Cc1nc([C@H](C)NC[C@H]2CC2(C)C)c(C)s1 ZINC000222040239 490464908 /nfs/dbraw/zinc/46/49/08/490464908.db2.gz REUZINOYCFFWPY-GZMMTYOYSA-N 0 3 238.400 3.457 20 0 BGADHN C[C@@H]1CC[C@@H](C)[C@@H](NCc2cscn2)C1 ZINC000222078271 134329087 /nfs/dbraw/zinc/32/90/87/134329087.db2.gz LTOCVOXDSOZIMZ-FOGDFJRCSA-N 0 3 224.373 3.057 20 0 BGADHN C[C@@H]1CC[C@H](C)[C@@H](NCc2cscn2)C1 ZINC000222078407 134329262 /nfs/dbraw/zinc/32/92/62/134329262.db2.gz LTOCVOXDSOZIMZ-SCVCMEIPSA-N 0 3 224.373 3.057 20 0 BGADHN C[C@@H](N[C@@H]1CCSC1)c1cc(F)cc(F)c1 ZINC000222146196 386036459 /nfs/dbraw/zinc/03/64/59/386036459.db2.gz OPXCAQHQVULLKF-PRHODGIISA-N 0 3 243.322 3.121 20 0 BGADHN C[C@H](N[C@@H]1CCSC1)c1cc(F)cc(F)c1 ZINC000222146251 386038314 /nfs/dbraw/zinc/03/83/14/386038314.db2.gz OPXCAQHQVULLKF-QPUJVOFHSA-N 0 3 243.322 3.121 20 0 BGADHN C[C@@H](N[C@H]1CCSC1)c1cc(F)cc(F)c1 ZINC000222146311 386036045 /nfs/dbraw/zinc/03/60/45/386036045.db2.gz OPXCAQHQVULLKF-PELKAZGASA-N 0 3 243.322 3.121 20 0 BGADHN C[C@H](N[C@H]1CCSC1)c1cc(F)cc(F)c1 ZINC000222146361 386037345 /nfs/dbraw/zinc/03/73/45/386037345.db2.gz OPXCAQHQVULLKF-UFBFGSQYSA-N 0 3 243.322 3.121 20 0 BGADHN COc1ccc([C@@H](C)NCC2(C)CC2)c(OC)c1 ZINC000222177805 134329935 /nfs/dbraw/zinc/32/99/35/134329935.db2.gz KBNLLQWVCDVTOP-LLVKDONJSA-N 0 3 249.354 3.155 20 0 BGADHN COc1ccc([C@H](C)NCC2(C)CC2)c(OC)c1 ZINC000222177864 134330118 /nfs/dbraw/zinc/33/01/18/134330118.db2.gz KBNLLQWVCDVTOP-NSHDSACASA-N 0 3 249.354 3.155 20 0 BGADHN Cc1nc([C@@H](C)NCC2(C)CC2)c(C)s1 ZINC000222183047 490622863 /nfs/dbraw/zinc/62/28/63/490622863.db2.gz ABIXEHSSDMKNNV-MRVPVSSYSA-N 0 3 224.373 3.211 20 0 BGADHN Cc1nc([C@H](C)NCC2(C)CC2)c(C)s1 ZINC000222183102 490622037 /nfs/dbraw/zinc/62/20/37/490622037.db2.gz ABIXEHSSDMKNNV-QMMMGPOBSA-N 0 3 224.373 3.211 20 0 BGADHN COc1ccc(OC)c([C@@H](C)NCC2(C)CC2)c1 ZINC000222187618 134330026 /nfs/dbraw/zinc/33/00/26/134330026.db2.gz LNTPLCDLYRWNGS-LLVKDONJSA-N 0 3 249.354 3.155 20 0 BGADHN COc1ccc(OC)c([C@H](C)NCC2(C)CC2)c1 ZINC000222187671 134329962 /nfs/dbraw/zinc/32/99/62/134329962.db2.gz LNTPLCDLYRWNGS-NSHDSACASA-N 0 3 249.354 3.155 20 0 BGADHN COc1ccc([C@@H](C)NCC2(C)CC2)c(F)c1 ZINC000222194563 134330602 /nfs/dbraw/zinc/33/06/02/134330602.db2.gz CYQMIGCURGFDFT-SNVBAGLBSA-N 0 3 237.318 3.285 20 0 BGADHN COc1ccc([C@H](C)NCC2(C)CC2)c(F)c1 ZINC000222194615 134330705 /nfs/dbraw/zinc/33/07/05/134330705.db2.gz CYQMIGCURGFDFT-JTQLQIEISA-N 0 3 237.318 3.285 20 0 BGADHN CCC1(CN[C@@H](C)c2csc(C)n2)CC1 ZINC000222203327 388615454 /nfs/dbraw/zinc/61/54/54/388615454.db2.gz IDJFCHLUHSAEBA-VIFPVBQESA-N 0 3 224.373 3.292 20 0 BGADHN CCC1(CN[C@H](C)c2csc(C)n2)CC1 ZINC000222203383 398095073 /nfs/dbraw/zinc/09/50/73/398095073.db2.gz IDJFCHLUHSAEBA-SECBINFHSA-N 0 3 224.373 3.292 20 0 BGADHN Cc1nc([C@@H](C)NCC2(C)CCC2)cs1 ZINC000222213091 180036055 /nfs/dbraw/zinc/03/60/55/180036055.db2.gz PEDXOMDKLBQBAH-SECBINFHSA-N 0 3 224.373 3.292 20 0 BGADHN Cc1nc([C@H](C)NCC2(C)CCC2)cs1 ZINC000222213142 180048285 /nfs/dbraw/zinc/04/82/85/180048285.db2.gz PEDXOMDKLBQBAH-VIFPVBQESA-N 0 3 224.373 3.292 20 0 BGADHN Cc1ccc([C@@H](C)NCC2(C)CCOCC2)o1 ZINC000222231853 134331024 /nfs/dbraw/zinc/33/10/24/134331024.db2.gz SYZGXZLYXQBBKN-GFCCVEGCSA-N 0 3 237.343 3.055 20 0 BGADHN Cc1ccc([C@H](C)NCC2(C)CCOCC2)o1 ZINC000222231905 134330882 /nfs/dbraw/zinc/33/08/82/134330882.db2.gz SYZGXZLYXQBBKN-LBPRGKRZSA-N 0 3 237.343 3.055 20 0 BGADHN C[C@@H](NCC1(C)CCCCC1)c1cnccn1 ZINC000222267839 386041310 /nfs/dbraw/zinc/04/13/10/386041310.db2.gz VAEZOLGAMDCEEL-GFCCVEGCSA-N 0 3 233.359 3.098 20 0 BGADHN C[C@H](NCC1(C)CCCCC1)c1cnccn1 ZINC000222267894 386041225 /nfs/dbraw/zinc/04/12/25/386041225.db2.gz VAEZOLGAMDCEEL-LBPRGKRZSA-N 0 3 233.359 3.098 20 0 BGADHN COc1ccc(CN[C@@H](C)C(C)(C)C)c(F)c1 ZINC000222279956 388618462 /nfs/dbraw/zinc/61/84/62/388618462.db2.gz HDGNMSYBGMHTIB-JTQLQIEISA-N 0 3 239.334 3.359 20 0 BGADHN COc1ccc(CN[C@H](C)C(C)(C)C)c(F)c1 ZINC000222280008 388618415 /nfs/dbraw/zinc/61/84/15/388618415.db2.gz HDGNMSYBGMHTIB-SNVBAGLBSA-N 0 3 239.334 3.359 20 0 BGADHN COc1ccc(CN[C@@H](C)C2CCC2)c(F)c1 ZINC000222283596 536896195 /nfs/dbraw/zinc/89/61/95/536896195.db2.gz GKGYFGCSLHTCCI-JTQLQIEISA-N 0 3 237.318 3.113 20 0 BGADHN COc1ccc(CN[C@H](C)C2CCC2)c(F)c1 ZINC000222283657 134330884 /nfs/dbraw/zinc/33/08/84/134330884.db2.gz GKGYFGCSLHTCCI-SNVBAGLBSA-N 0 3 237.318 3.113 20 0 BGADHN COc1ccc(CN[C@@H](C)CC(C)C)c(F)c1 ZINC000222284111 388618211 /nfs/dbraw/zinc/61/82/11/388618211.db2.gz OUUZHXNYFOVLAW-NSHDSACASA-N 0 3 239.334 3.359 20 0 BGADHN COc1ccc(CN[C@H](C)CC(C)C)c(F)c1 ZINC000222284168 388618347 /nfs/dbraw/zinc/61/83/47/388618347.db2.gz OUUZHXNYFOVLAW-LLVKDONJSA-N 0 3 239.334 3.359 20 0 BGADHN COc1ccc(CN[C@@H](C)CC2CC2)c(F)c1 ZINC000222285097 536896184 /nfs/dbraw/zinc/89/61/84/536896184.db2.gz YLPCKMVEOIBVBN-JTQLQIEISA-N 0 3 237.318 3.113 20 0 BGADHN COc1ccc(CN[C@H](C)CC2CC2)c(F)c1 ZINC000222285155 134331414 /nfs/dbraw/zinc/33/14/14/134331414.db2.gz YLPCKMVEOIBVBN-SNVBAGLBSA-N 0 3 237.318 3.113 20 0 BGADHN Cc1nc([C@@H](C)NCC2(C3CC3)CC2)cs1 ZINC000222358627 134331428 /nfs/dbraw/zinc/33/14/28/134331428.db2.gz RQRMBIPNIXVDFU-SECBINFHSA-N 0 3 236.384 3.292 20 0 BGADHN Cc1nc([C@H](C)NCC2(C3CC3)CC2)cs1 ZINC000222358684 134331504 /nfs/dbraw/zinc/33/15/04/134331504.db2.gz RQRMBIPNIXVDFU-VIFPVBQESA-N 0 3 236.384 3.292 20 0 BGADHN CC(C)(C)[C@@H]1CCCC[C@@H]1NCc1ccno1 ZINC000222436252 323114523 /nfs/dbraw/zinc/11/45/23/323114523.db2.gz GURRNVGUXMRREB-OLZOCXBDSA-N 0 3 236.359 3.369 20 0 BGADHN CC(C)(C)[C@H]1CCCC[C@@H]1NCc1ccno1 ZINC000222436310 323114569 /nfs/dbraw/zinc/11/45/69/323114569.db2.gz GURRNVGUXMRREB-STQMWFEESA-N 0 3 236.359 3.369 20 0 BGADHN CC(C)(C)[C@@H]1CCCC[C@H]1NCc1ccno1 ZINC000222436371 323114554 /nfs/dbraw/zinc/11/45/54/323114554.db2.gz GURRNVGUXMRREB-CHWSQXEVSA-N 0 3 236.359 3.369 20 0 BGADHN CC(C)(C)[C@H]1CCCC[C@H]1NCc1ccno1 ZINC000222436430 323114541 /nfs/dbraw/zinc/11/45/41/323114541.db2.gz GURRNVGUXMRREB-QWHCGFSZSA-N 0 3 236.359 3.369 20 0 BGADHN Cc1ccc([C@@H](C)N[C@@H](C)c2cn[nH]c2)c(C)c1 ZINC000222452092 386046235 /nfs/dbraw/zinc/04/62/35/386046235.db2.gz PVWLEAUBHZJWCH-QWHCGFSZSA-N 0 3 243.354 3.438 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H](C)c2cn[nH]c2)c(C)c1 ZINC000222452150 386046666 /nfs/dbraw/zinc/04/66/66/386046666.db2.gz PVWLEAUBHZJWCH-STQMWFEESA-N 0 3 243.354 3.438 20 0 BGADHN Cc1ccc([C@@H](C)N[C@H](C)c2cn[nH]c2)c(C)c1 ZINC000222452201 386046058 /nfs/dbraw/zinc/04/60/58/386046058.db2.gz PVWLEAUBHZJWCH-CHWSQXEVSA-N 0 3 243.354 3.438 20 0 BGADHN Cc1ccc([C@H](C)N[C@H](C)c2cn[nH]c2)c(C)c1 ZINC000222452250 386046318 /nfs/dbraw/zinc/04/63/18/386046318.db2.gz PVWLEAUBHZJWCH-OLZOCXBDSA-N 0 3 243.354 3.438 20 0 BGADHN Cc1cc(C)cc([C@@H](C)N[C@@H](C)c2cn[nH]c2)c1 ZINC000222456137 387933994 /nfs/dbraw/zinc/93/39/94/387933994.db2.gz OKXQGQAARIVDQV-OLZOCXBDSA-N 0 3 243.354 3.438 20 0 BGADHN Cc1cc(C)cc([C@H](C)N[C@@H](C)c2cn[nH]c2)c1 ZINC000222456195 387933927 /nfs/dbraw/zinc/93/39/27/387933927.db2.gz OKXQGQAARIVDQV-STQMWFEESA-N 0 3 243.354 3.438 20 0 BGADHN Cc1cc(C)cc([C@@H](C)N[C@H](C)c2cn[nH]c2)c1 ZINC000222456246 387934221 /nfs/dbraw/zinc/93/42/21/387934221.db2.gz OKXQGQAARIVDQV-CHWSQXEVSA-N 0 3 243.354 3.438 20 0 BGADHN Cc1cc(C)cc([C@H](C)N[C@H](C)c2cn[nH]c2)c1 ZINC000222456310 387935642 /nfs/dbraw/zinc/93/56/42/387935642.db2.gz OKXQGQAARIVDQV-QWHCGFSZSA-N 0 3 243.354 3.438 20 0 BGADHN CC[C@@H](N[C@@H](C)c1cn[nH]c1)c1cccs1 ZINC000222456395 134332044 /nfs/dbraw/zinc/33/20/44/134332044.db2.gz MSBUESGTZYWLNI-GXSJLCMTSA-N 0 3 235.356 3.273 20 0 BGADHN CC[C@H](N[C@@H](C)c1cn[nH]c1)c1cccs1 ZINC000222456456 134331962 /nfs/dbraw/zinc/33/19/62/134331962.db2.gz MSBUESGTZYWLNI-ONGXEEELSA-N 0 3 235.356 3.273 20 0 BGADHN CC[C@@H](N[C@H](C)c1cn[nH]c1)c1cccs1 ZINC000222456512 535808623 /nfs/dbraw/zinc/80/86/23/535808623.db2.gz MSBUESGTZYWLNI-MWLCHTKSSA-N 0 3 235.356 3.273 20 0 BGADHN CC[C@H](N[C@H](C)c1cn[nH]c1)c1cccs1 ZINC000222456577 535943596 /nfs/dbraw/zinc/94/35/96/535943596.db2.gz MSBUESGTZYWLNI-KOLCDFICSA-N 0 3 235.356 3.273 20 0 BGADHN Cc1cc([C@@H](C)N[C@@H](C)c2cn[nH]c2)c(C)s1 ZINC000222457966 178230139 /nfs/dbraw/zinc/23/01/39/178230139.db2.gz ZYDIBFNARMQXMK-VHSXEESVSA-N 0 3 249.383 3.500 20 0 BGADHN Cc1cc([C@H](C)N[C@@H](C)c2cn[nH]c2)c(C)s1 ZINC000222458036 178254511 /nfs/dbraw/zinc/25/45/11/178254511.db2.gz ZYDIBFNARMQXMK-UWVGGRQHSA-N 0 3 249.383 3.500 20 0 BGADHN Cc1cc([C@@H](C)N[C@H](C)c2cn[nH]c2)c(C)s1 ZINC000222458087 178232990 /nfs/dbraw/zinc/23/29/90/178232990.db2.gz ZYDIBFNARMQXMK-NXEZZACHSA-N 0 3 249.383 3.500 20 0 BGADHN Cc1cc([C@H](C)N[C@H](C)c2cn[nH]c2)c(C)s1 ZINC000222458147 178258528 /nfs/dbraw/zinc/25/85/28/178258528.db2.gz ZYDIBFNARMQXMK-ZJUUUORDSA-N 0 3 249.383 3.500 20 0 BGADHN C[C@@H](N[C@@H](C)c1ccc(Cl)cc1)c1cn[nH]c1 ZINC000222460312 386046142 /nfs/dbraw/zinc/04/61/42/386046142.db2.gz QBLZFRUBHMODKO-VHSXEESVSA-N 0 3 249.745 3.475 20 0 BGADHN C[C@H](N[C@@H](C)c1ccc(Cl)cc1)c1cn[nH]c1 ZINC000222460377 386046382 /nfs/dbraw/zinc/04/63/82/386046382.db2.gz QBLZFRUBHMODKO-UWVGGRQHSA-N 0 3 249.745 3.475 20 0 BGADHN C[C@@H](N[C@H](C)c1ccc(Cl)cc1)c1cn[nH]c1 ZINC000222460440 386045783 /nfs/dbraw/zinc/04/57/83/386045783.db2.gz QBLZFRUBHMODKO-NXEZZACHSA-N 0 3 249.745 3.475 20 0 BGADHN C[C@@H](N[C@@H](C)c1cn[nH]c1)c1ccc(Cl)cc1 ZINC000222460499 176913694 /nfs/dbraw/zinc/91/36/94/176913694.db2.gz QBLZFRUBHMODKO-ZJUUUORDSA-N 0 3 249.745 3.475 20 0 BGADHN C[C@@H](N[C@@H]1CCCc2sccc21)c1cn[nH]c1 ZINC000222464417 386047415 /nfs/dbraw/zinc/04/74/15/386047415.db2.gz JPFYQINPCYGHBW-BXKDBHETSA-N 0 3 247.367 3.199 20 0 BGADHN C[C@H](N[C@@H]1CCCc2sccc21)c1cn[nH]c1 ZINC000222464477 386046547 /nfs/dbraw/zinc/04/65/47/386046547.db2.gz JPFYQINPCYGHBW-JOYOIKCWSA-N 0 3 247.367 3.199 20 0 BGADHN C[C@@H](N[C@H]1CCCc2sccc21)c1cn[nH]c1 ZINC000222464545 386046169 /nfs/dbraw/zinc/04/61/69/386046169.db2.gz JPFYQINPCYGHBW-SKDRFNHKSA-N 0 3 247.367 3.199 20 0 BGADHN C[C@H](N[C@H]1CCCc2sccc21)c1cn[nH]c1 ZINC000222464593 386046708 /nfs/dbraw/zinc/04/67/08/386046708.db2.gz JPFYQINPCYGHBW-CABZTGNLSA-N 0 3 247.367 3.199 20 0 BGADHN Cc1ccc2c(c1)[C@@H](N[C@@H](C)c1cn[nH]c1)CC2 ZINC000222472296 387935473 /nfs/dbraw/zinc/93/54/73/387935473.db2.gz AZYPBTKTXFLXPT-NHYWBVRUSA-N 0 3 241.338 3.056 20 0 BGADHN Cc1ccc2c(c1)[C@H](N[C@@H](C)c1cn[nH]c1)CC2 ZINC000222472353 387933802 /nfs/dbraw/zinc/93/38/02/387933802.db2.gz AZYPBTKTXFLXPT-XHDPSFHLSA-N 0 3 241.338 3.056 20 0 BGADHN Cc1ccc2c(c1)[C@@H](N[C@H](C)c1cn[nH]c1)CC2 ZINC000222472416 387933885 /nfs/dbraw/zinc/93/38/85/387933885.db2.gz AZYPBTKTXFLXPT-ABAIWWIYSA-N 0 3 241.338 3.056 20 0 BGADHN Cc1ccc2c(c1)[C@H](N[C@H](C)c1cn[nH]c1)CC2 ZINC000222472482 387935372 /nfs/dbraw/zinc/93/53/72/387935372.db2.gz AZYPBTKTXFLXPT-IAQYHMDHSA-N 0 3 241.338 3.056 20 0 BGADHN Cc1ccc([C@@H](C)N[C@@H](C)c2cn[nH]c2)cc1 ZINC000222477182 386046716 /nfs/dbraw/zinc/04/67/16/386046716.db2.gz NWAYAQHUSPPCFI-NEPJUHHUSA-N 0 3 229.327 3.130 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H](C)c2cn[nH]c2)cc1 ZINC000222477237 386046354 /nfs/dbraw/zinc/04/63/54/386046354.db2.gz NWAYAQHUSPPCFI-RYUDHWBXSA-N 0 3 229.327 3.130 20 0 BGADHN Cc1ccc([C@@H](C)N[C@H](C)c2cn[nH]c2)cc1 ZINC000222477304 386045980 /nfs/dbraw/zinc/04/59/80/386045980.db2.gz NWAYAQHUSPPCFI-VXGBXAGGSA-N 0 3 229.327 3.130 20 0 BGADHN Cc1ccc([C@H](C)N[C@H](C)c2cn[nH]c2)cc1 ZINC000222477363 386047701 /nfs/dbraw/zinc/04/77/01/386047701.db2.gz NWAYAQHUSPPCFI-NWDGAFQWSA-N 0 3 229.327 3.130 20 0 BGADHN CC[C@@H](N[C@@H](C)c1cn[nH]c1)c1ccccc1 ZINC000222477444 357400839 /nfs/dbraw/zinc/40/08/39/357400839.db2.gz FADMOIWJAAQZGN-SMDDNHRTSA-N 0 3 229.327 3.212 20 0 BGADHN CC[C@H](N[C@@H](C)c1cn[nH]c1)c1ccccc1 ZINC000222477504 387935671 /nfs/dbraw/zinc/93/56/71/387935671.db2.gz FADMOIWJAAQZGN-FZMZJTMJSA-N 0 3 229.327 3.212 20 0 BGADHN CC[C@@H](N[C@H](C)c1cn[nH]c1)c1ccccc1 ZINC000222477555 357401069 /nfs/dbraw/zinc/40/10/69/357401069.db2.gz FADMOIWJAAQZGN-BXUZGUMPSA-N 0 3 229.327 3.212 20 0 BGADHN CC[C@H](N[C@H](C)c1cn[nH]c1)c1ccccc1 ZINC000222477612 387934471 /nfs/dbraw/zinc/93/44/71/387934471.db2.gz FADMOIWJAAQZGN-RISCZKNCSA-N 0 3 229.327 3.212 20 0 BGADHN Cc1ccc(C)c([C@@H](C)N[C@@H](C)c2cn[nH]c2)c1 ZINC000222481652 134331953 /nfs/dbraw/zinc/33/19/53/134331953.db2.gz WJFFYBPJGVGOGY-QWHCGFSZSA-N 0 3 243.354 3.438 20 0 BGADHN Cc1ccc(C)c([C@H](C)N[C@@H](C)c2cn[nH]c2)c1 ZINC000222481697 134332250 /nfs/dbraw/zinc/33/22/50/134332250.db2.gz WJFFYBPJGVGOGY-STQMWFEESA-N 0 3 243.354 3.438 20 0 BGADHN Cc1ccc(C)c([C@@H](C)N[C@H](C)c2cn[nH]c2)c1 ZINC000222481767 134332204 /nfs/dbraw/zinc/33/22/04/134332204.db2.gz WJFFYBPJGVGOGY-CHWSQXEVSA-N 0 3 243.354 3.438 20 0 BGADHN Cc1ccc(C)c([C@H](C)N[C@H](C)c2cn[nH]c2)c1 ZINC000222481832 134332150 /nfs/dbraw/zinc/33/21/50/134332150.db2.gz WJFFYBPJGVGOGY-OLZOCXBDSA-N 0 3 243.354 3.438 20 0 BGADHN C[C@@H](N[C@@H]1CCCc2ccccc21)c1cn[nH]c1 ZINC000222487487 386047884 /nfs/dbraw/zinc/04/78/84/386047884.db2.gz XGKUVKBAAJYAFK-IAQYHMDHSA-N 0 3 241.338 3.138 20 0 BGADHN C[C@H](N[C@@H]1CCCc2ccccc21)c1cn[nH]c1 ZINC000222487551 386047295 /nfs/dbraw/zinc/04/72/95/386047295.db2.gz XGKUVKBAAJYAFK-XHDPSFHLSA-N 0 3 241.338 3.138 20 0 BGADHN C[C@@H](N[C@H]1CCCc2ccccc21)c1cn[nH]c1 ZINC000222487599 386045963 /nfs/dbraw/zinc/04/59/63/386045963.db2.gz XGKUVKBAAJYAFK-ABAIWWIYSA-N 0 3 241.338 3.138 20 0 BGADHN C[C@H](N[C@H]1CCCc2ccccc21)c1cn[nH]c1 ZINC000222487652 386046224 /nfs/dbraw/zinc/04/62/24/386046224.db2.gz XGKUVKBAAJYAFK-NHYWBVRUSA-N 0 3 241.338 3.138 20 0 BGADHN Cc1ccc([C@@H](C)N[C@@H](C)c2cn[nH]c2)cc1C ZINC000222488270 386050132 /nfs/dbraw/zinc/05/01/32/386050132.db2.gz UNQBDGNIWRRBGC-OLZOCXBDSA-N 0 3 243.354 3.438 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H](C)c2cn[nH]c2)cc1C ZINC000222488331 386048643 /nfs/dbraw/zinc/04/86/43/386048643.db2.gz UNQBDGNIWRRBGC-STQMWFEESA-N 0 3 243.354 3.438 20 0 BGADHN Cc1ccc([C@@H](C)N[C@H](C)c2cn[nH]c2)cc1C ZINC000222488388 386049516 /nfs/dbraw/zinc/04/95/16/386049516.db2.gz UNQBDGNIWRRBGC-CHWSQXEVSA-N 0 3 243.354 3.438 20 0 BGADHN Cc1ccc([C@H](C)N[C@H](C)c2cn[nH]c2)cc1C ZINC000222488447 386050232 /nfs/dbraw/zinc/05/02/32/386050232.db2.gz UNQBDGNIWRRBGC-QWHCGFSZSA-N 0 3 243.354 3.438 20 0 BGADHN Cc1ccc([C@@H](C)N[C@@H](C)c2cn[nH]c2)s1 ZINC000222489534 386048668 /nfs/dbraw/zinc/04/86/68/386048668.db2.gz ZOSGKKFFNBZYMC-VHSXEESVSA-N 0 3 235.356 3.191 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H](C)c2cn[nH]c2)s1 ZINC000222489583 386049915 /nfs/dbraw/zinc/04/99/15/386049915.db2.gz ZOSGKKFFNBZYMC-UWVGGRQHSA-N 0 3 235.356 3.191 20 0 BGADHN Cc1ccc([C@@H](C)N[C@H](C)c2cn[nH]c2)s1 ZINC000222489646 386050261 /nfs/dbraw/zinc/05/02/61/386050261.db2.gz ZOSGKKFFNBZYMC-NXEZZACHSA-N 0 3 235.356 3.191 20 0 BGADHN Cc1ccc([C@H](C)N[C@H](C)c2cn[nH]c2)s1 ZINC000222489713 386049498 /nfs/dbraw/zinc/04/94/98/386049498.db2.gz ZOSGKKFFNBZYMC-ZJUUUORDSA-N 0 3 235.356 3.191 20 0 BGADHN CCc1ccc([C@@H](C)N[C@@H](C)c2cn[nH]c2)cc1 ZINC000222496787 171831756 /nfs/dbraw/zinc/83/17/56/171831756.db2.gz HENVFNNTWBJWDH-NEPJUHHUSA-N 0 3 243.354 3.384 20 0 BGADHN CCc1ccc([C@H](C)N[C@@H](C)c2cn[nH]c2)cc1 ZINC000222496847 171839758 /nfs/dbraw/zinc/83/97/58/171839758.db2.gz HENVFNNTWBJWDH-RYUDHWBXSA-N 0 3 243.354 3.384 20 0 BGADHN CCc1ccc([C@@H](C)N[C@H](C)c2cn[nH]c2)cc1 ZINC000222496913 171832565 /nfs/dbraw/zinc/83/25/65/171832565.db2.gz HENVFNNTWBJWDH-VXGBXAGGSA-N 0 3 243.354 3.384 20 0 BGADHN CCc1ccc([C@H](C)N[C@H](C)c2cn[nH]c2)cc1 ZINC000222496969 386049081 /nfs/dbraw/zinc/04/90/81/386049081.db2.gz HENVFNNTWBJWDH-NWDGAFQWSA-N 0 3 243.354 3.384 20 0 BGADHN CCc1ccc([C@@H](C)N[C@@H](C)c2cn[nH]c2)s1 ZINC000222498630 171830875 /nfs/dbraw/zinc/83/08/75/171830875.db2.gz LAAYUBMTNFCYPD-VHSXEESVSA-N 0 3 249.383 3.445 20 0 BGADHN CCc1ccc([C@H](C)N[C@@H](C)c2cn[nH]c2)s1 ZINC000222498691 386049289 /nfs/dbraw/zinc/04/92/89/386049289.db2.gz LAAYUBMTNFCYPD-UWVGGRQHSA-N 0 3 249.383 3.445 20 0 BGADHN CCc1ccc([C@@H](C)N[C@H](C)c2cn[nH]c2)s1 ZINC000222498748 386049683 /nfs/dbraw/zinc/04/96/83/386049683.db2.gz LAAYUBMTNFCYPD-NXEZZACHSA-N 0 3 249.383 3.445 20 0 BGADHN CCc1ccc([C@H](C)N[C@H](C)c2cn[nH]c2)s1 ZINC000222498799 386050016 /nfs/dbraw/zinc/05/00/16/386050016.db2.gz LAAYUBMTNFCYPD-ZJUUUORDSA-N 0 3 249.383 3.445 20 0 BGADHN Cc1cccc([C@@H](C)N[C@@H](C)c2cn[nH]c2)c1 ZINC000222500187 179183236 /nfs/dbraw/zinc/18/32/36/179183236.db2.gz HFEWJUCNCLGVCF-NEPJUHHUSA-N 0 3 229.327 3.130 20 0 BGADHN Cc1cccc([C@H](C)N[C@@H](C)c2cn[nH]c2)c1 ZINC000222500243 179195868 /nfs/dbraw/zinc/19/58/68/179195868.db2.gz HFEWJUCNCLGVCF-RYUDHWBXSA-N 0 3 229.327 3.130 20 0 BGADHN Cc1cccc([C@@H](C)N[C@H](C)c2cn[nH]c2)c1 ZINC000222500305 179183271 /nfs/dbraw/zinc/18/32/71/179183271.db2.gz HFEWJUCNCLGVCF-VXGBXAGGSA-N 0 3 229.327 3.130 20 0 BGADHN Cc1cccc([C@H](C)N[C@H](C)c2cn[nH]c2)c1 ZINC000222500371 179197856 /nfs/dbraw/zinc/19/78/56/179197856.db2.gz HFEWJUCNCLGVCF-NWDGAFQWSA-N 0 3 229.327 3.130 20 0 BGADHN CC[C@@H](N[C@@H](C)c1cn[nH]c1)c1ccc(F)cc1 ZINC000222504367 350242936 /nfs/dbraw/zinc/24/29/36/350242936.db2.gz QUMMJQKFUDKIFX-IINYFYTJSA-N 0 3 247.317 3.351 20 0 BGADHN CC[C@H](N[C@@H](C)c1cn[nH]c1)c1ccc(F)cc1 ZINC000222504432 386050296 /nfs/dbraw/zinc/05/02/96/386050296.db2.gz QUMMJQKFUDKIFX-HZMBPMFUSA-N 0 3 247.317 3.351 20 0 BGADHN CC[C@@H](N[C@H](C)c1cn[nH]c1)c1ccc(F)cc1 ZINC000222504487 350243296 /nfs/dbraw/zinc/24/32/96/350243296.db2.gz QUMMJQKFUDKIFX-QMTHXVAHSA-N 0 3 247.317 3.351 20 0 BGADHN CC[C@H](N[C@H](C)c1cn[nH]c1)c1ccc(F)cc1 ZINC000222504543 386049715 /nfs/dbraw/zinc/04/97/15/386049715.db2.gz QUMMJQKFUDKIFX-YGRLFVJLSA-N 0 3 247.317 3.351 20 0 BGADHN Cc1ccccc1[C@@H](C)N[C@@H](C)c1cn[nH]c1 ZINC000222505654 179321863 /nfs/dbraw/zinc/32/18/63/179321863.db2.gz NKPDCHXQWCKOKP-NWDGAFQWSA-N 0 3 229.327 3.130 20 0 BGADHN Cc1ccccc1[C@H](C)N[C@@H](C)c1cn[nH]c1 ZINC000222505715 179339240 /nfs/dbraw/zinc/33/92/40/179339240.db2.gz NKPDCHXQWCKOKP-RYUDHWBXSA-N 0 3 229.327 3.130 20 0 BGADHN Cc1ccccc1[C@@H](C)N[C@H](C)c1cn[nH]c1 ZINC000222505767 179322532 /nfs/dbraw/zinc/32/25/32/179322532.db2.gz NKPDCHXQWCKOKP-VXGBXAGGSA-N 0 3 229.327 3.130 20 0 BGADHN Cc1ccccc1[C@H](C)N[C@H](C)c1cn[nH]c1 ZINC000222505817 179338545 /nfs/dbraw/zinc/33/85/45/179338545.db2.gz NKPDCHXQWCKOKP-NEPJUHHUSA-N 0 3 229.327 3.130 20 0 BGADHN Cc1ccsc1[C@@H](C)N[C@@H](C)c1cn[nH]c1 ZINC000222508304 179552438 /nfs/dbraw/zinc/55/24/38/179552438.db2.gz NROCECIFKNWMOD-VHSXEESVSA-N 0 3 235.356 3.191 20 0 BGADHN Cc1ccsc1[C@H](C)N[C@@H](C)c1cn[nH]c1 ZINC000222508370 386049170 /nfs/dbraw/zinc/04/91/70/386049170.db2.gz NROCECIFKNWMOD-UWVGGRQHSA-N 0 3 235.356 3.191 20 0 BGADHN Cc1ccsc1[C@@H](C)N[C@H](C)c1cn[nH]c1 ZINC000222508428 386049631 /nfs/dbraw/zinc/04/96/31/386049631.db2.gz NROCECIFKNWMOD-NXEZZACHSA-N 0 3 235.356 3.191 20 0 BGADHN Cc1ccsc1[C@H](C)N[C@H](C)c1cn[nH]c1 ZINC000222508490 386048496 /nfs/dbraw/zinc/04/84/96/386048496.db2.gz NROCECIFKNWMOD-ZJUUUORDSA-N 0 3 235.356 3.191 20 0 BGADHN CC(C)NC1(c2ccccc2Cl)CC1 ZINC000222588698 487957344 /nfs/dbraw/zinc/95/73/44/487957344.db2.gz KWGUTUMOJHLBFX-UHFFFAOYSA-N 0 3 209.720 3.327 20 0 BGADHN C[C@H](N[C@@H]1CCO[C@@H]1C1CC1)c1ccc(F)cc1 ZINC000222642512 134333760 /nfs/dbraw/zinc/33/37/60/134333760.db2.gz TZTCVSLVXDRUJA-COLVAYQJSA-N 0 3 249.329 3.044 20 0 BGADHN C[C@H](N[C@H]1CCO[C@@H]1C1CC1)c1ccc(F)cc1 ZINC000222642625 134333722 /nfs/dbraw/zinc/33/37/22/134333722.db2.gz TZTCVSLVXDRUJA-NZVBXONLSA-N 0 3 249.329 3.044 20 0 BGADHN C[C@H](N[C@@H]1CCO[C@@H]1C1CC1)c1ccccc1F ZINC000222660729 134333729 /nfs/dbraw/zinc/33/37/29/134333729.db2.gz YPLDGMAZROADFV-COLVAYQJSA-N 0 3 249.329 3.044 20 0 BGADHN C[C@H](N[C@H]1CCO[C@@H]1C1CC1)c1ccccc1F ZINC000222660866 134333663 /nfs/dbraw/zinc/33/36/63/134333663.db2.gz YPLDGMAZROADFV-NZVBXONLSA-N 0 3 249.329 3.044 20 0 BGADHN C[C@H](N[C@@H]1CCO[C@@H]1C1CC1)c1cccc(F)c1 ZINC000222678045 134333609 /nfs/dbraw/zinc/33/36/09/134333609.db2.gz GUVJFABGAIGLOX-COLVAYQJSA-N 0 3 249.329 3.044 20 0 BGADHN C[C@H](N[C@H]1CCO[C@@H]1C1CC1)c1cccc(F)c1 ZINC000222678183 134333601 /nfs/dbraw/zinc/33/36/01/134333601.db2.gz GUVJFABGAIGLOX-NZVBXONLSA-N 0 3 249.329 3.044 20 0 BGADHN CC(C)n1ccc(CN[C@@H]2CCC[C@@H](C)[C@@H]2C)n1 ZINC000222714685 358209538 /nfs/dbraw/zinc/20/95/38/358209538.db2.gz DOTFHTSOFHUQHY-VNHYZAJKSA-N 0 3 249.402 3.378 20 0 BGADHN CC(C)n1ccc(CN[C@H]2CCC[C@@H](C)[C@@H]2C)n1 ZINC000222714741 358209550 /nfs/dbraw/zinc/20/95/50/358209550.db2.gz DOTFHTSOFHUQHY-IPYPFGDCSA-N 0 3 249.402 3.378 20 0 BGADHN CC(C)n1ccc(CN[C@@H]2CC[C@@H](C)C[C@@H]2C)n1 ZINC000222715833 358209476 /nfs/dbraw/zinc/20/94/76/358209476.db2.gz RIYSFAZEBISJAB-VNHYZAJKSA-N 0 3 249.402 3.378 20 0 BGADHN CC(C)n1ccc(CN[C@H]2CC[C@@H](C)C[C@@H]2C)n1 ZINC000222715884 358209267 /nfs/dbraw/zinc/20/92/67/358209267.db2.gz RIYSFAZEBISJAB-IPYPFGDCSA-N 0 3 249.402 3.378 20 0 BGADHN C[C@H](NCc1ncc(Cl)s1)C1CCCC1 ZINC000223047155 134336019 /nfs/dbraw/zinc/33/60/19/134336019.db2.gz WXDCMVGADHAEFO-QMMMGPOBSA-N 0 3 244.791 3.465 20 0 BGADHN C[C@@H](NCc1ncc(Cl)s1)C1CCCC1 ZINC000223047217 134336244 /nfs/dbraw/zinc/33/62/44/134336244.db2.gz WXDCMVGADHAEFO-MRVPVSSYSA-N 0 3 244.791 3.465 20 0 BGADHN CC1CCC([NH2+]Cc2cc([O-])cc(F)c2)CC1 ZINC000223079533 134336127 /nfs/dbraw/zinc/33/61/27/134336127.db2.gz HFMKCSKDQDNPST-UHFFFAOYSA-N 0 3 237.318 3.200 20 0 BGADHN CC(C)CC[C@@H](C)[NH2+]Cc1cc([O-])cc(F)c1 ZINC000223081911 534913525 /nfs/dbraw/zinc/91/35/25/534913525.db2.gz GMKXWRXYGDPIEK-LLVKDONJSA-N 0 3 239.334 3.446 20 0 BGADHN CC(C)CC[C@H](C)[NH2+]Cc1cc([O-])cc(F)c1 ZINC000223081960 134336373 /nfs/dbraw/zinc/33/63/73/134336373.db2.gz GMKXWRXYGDPIEK-NSHDSACASA-N 0 3 239.334 3.446 20 0 BGADHN [O-]c1cc(F)cc(C[NH2+]CC2CCCCC2)c1 ZINC000223087882 134336086 /nfs/dbraw/zinc/33/60/86/134336086.db2.gz HLFYRTXNUKSITE-UHFFFAOYSA-N 0 3 237.318 3.201 20 0 BGADHN CC[C@@H](C)C[C@@H](C)[NH2+]Cc1cc([O-])cc(F)c1 ZINC000223135692 134336907 /nfs/dbraw/zinc/33/69/07/134336907.db2.gz OJAHCFRGVDCHPN-GHMZBOCLSA-N 0 3 239.334 3.446 20 0 BGADHN CC[C@H](C)C[C@@H](C)[NH2+]Cc1cc([O-])cc(F)c1 ZINC000223135754 134337104 /nfs/dbraw/zinc/33/71/04/134337104.db2.gz OJAHCFRGVDCHPN-WDEREUQCSA-N 0 3 239.334 3.446 20 0 BGADHN CC[C@@H](C)C[C@H](C)[NH2+]Cc1cc([O-])cc(F)c1 ZINC000223135814 134337019 /nfs/dbraw/zinc/33/70/19/134337019.db2.gz OJAHCFRGVDCHPN-MNOVXSKESA-N 0 3 239.334 3.446 20 0 BGADHN CC[C@H](C)C[C@H](C)[NH2+]Cc1cc([O-])cc(F)c1 ZINC000223136428 134337040 /nfs/dbraw/zinc/33/70/40/134337040.db2.gz OJAHCFRGVDCHPN-QWRGUYRKSA-N 0 3 239.334 3.446 20 0 BGADHN [O-]c1cc(F)cc(C[NH2+]CC(C2CC2)C2CC2)c1 ZINC000223136689 358221157 /nfs/dbraw/zinc/22/11/57/358221157.db2.gz UWFLTEMPHYLYRT-UHFFFAOYSA-N 0 3 249.329 3.057 20 0 BGADHN CC1(C)C([NH2+]Cc2cc([O-])cc(F)c2)C1(C)C ZINC000223139457 134337191 /nfs/dbraw/zinc/33/71/91/134337191.db2.gz CMDWMVVSJONHNU-UHFFFAOYSA-N 0 3 237.318 3.056 20 0 BGADHN C[C@@H](NCC1(C)CC1)c1nc2ccccc2n1C ZINC000223178569 134337557 /nfs/dbraw/zinc/33/75/57/134337557.db2.gz NIBGEOWKXAYSMD-LLVKDONJSA-N 0 3 243.354 3.024 20 0 BGADHN C[C@H](NCC1(C)CC1)c1nc2ccccc2n1C ZINC000223178615 134337301 /nfs/dbraw/zinc/33/73/01/134337301.db2.gz NIBGEOWKXAYSMD-NSHDSACASA-N 0 3 243.354 3.024 20 0 BGADHN CO[C@@H]1CCC[C@@H]1NCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000223255172 635364440 /nfs/dbraw/zinc/36/44/40/635364440.db2.gz BDHWOPJAYZUTND-QMPIGLIWSA-N 0 3 249.354 3.060 20 0 BGADHN CO[C@@H]1CCC[C@H]1NCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000223255283 388649934 /nfs/dbraw/zinc/64/99/34/388649934.db2.gz BDHWOPJAYZUTND-XTWPYSKKSA-N 0 3 249.354 3.060 20 0 BGADHN C[C@@H](NCc1cccc(CO)c1)c1ccsc1 ZINC000223259204 134337807 /nfs/dbraw/zinc/33/78/07/134337807.db2.gz PWYRCNVHNZZYFF-LLVKDONJSA-N 0 3 247.363 3.091 20 0 BGADHN C[C@H](NCc1cccc(CO)c1)c1ccsc1 ZINC000223259261 134337692 /nfs/dbraw/zinc/33/76/92/134337692.db2.gz PWYRCNVHNZZYFF-NSHDSACASA-N 0 3 247.363 3.091 20 0 BGADHN Cc1nc([C@H](C)N[C@@H]2CC[C@@H](C)C2)cs1 ZINC000223366068 134338853 /nfs/dbraw/zinc/33/88/53/134338853.db2.gz CQWMDHBNWSBPKX-WCABBAIRSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1nc([C@H](C)N[C@H]2CC[C@@H](C)C2)cs1 ZINC000223366192 134338836 /nfs/dbraw/zinc/33/88/36/134338836.db2.gz CQWMDHBNWSBPKX-YWVKMMECSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1ccc([C@@H](C)NCCOCC2CC2)cc1C ZINC000223383007 259334896 /nfs/dbraw/zinc/33/48/96/259334896.db2.gz JYXMBOQFEZOXFX-CQSZACIVSA-N 0 3 247.382 3.381 20 0 BGADHN Cc1ccc([C@H](C)NCCOCC2CC2)cc1C ZINC000223383057 388652071 /nfs/dbraw/zinc/65/20/71/388652071.db2.gz JYXMBOQFEZOXFX-AWEZNQCLSA-N 0 3 247.382 3.381 20 0 BGADHN Cc1ccc([C@@H](C)NCCOCC2CC2)c(C)c1 ZINC000223388547 388652359 /nfs/dbraw/zinc/65/23/59/388652359.db2.gz JFASSIMTBYUTKX-CQSZACIVSA-N 0 3 247.382 3.381 20 0 BGADHN Cc1ccc([C@H](C)NCCOCC2CC2)c(C)c1 ZINC000223388601 388652295 /nfs/dbraw/zinc/65/22/95/388652295.db2.gz JFASSIMTBYUTKX-AWEZNQCLSA-N 0 3 247.382 3.381 20 0 BGADHN CCC(CC)[C@@H](O)CN[C@@H](C)c1ccc(C)o1 ZINC000223440652 386084163 /nfs/dbraw/zinc/08/41/63/386084163.db2.gz KWGJNMWKNMLQSE-AAEUAGOBSA-N 0 3 239.359 3.036 20 0 BGADHN CCC(CC)[C@H](O)CN[C@@H](C)c1ccc(C)o1 ZINC000223440713 386085429 /nfs/dbraw/zinc/08/54/29/386085429.db2.gz KWGJNMWKNMLQSE-WCQYABFASA-N 0 3 239.359 3.036 20 0 BGADHN CCC(CC)[C@@H](O)CN[C@H](C)c1ccc(C)o1 ZINC000223440774 386085233 /nfs/dbraw/zinc/08/52/33/386085233.db2.gz KWGJNMWKNMLQSE-YPMHNXCESA-N 0 3 239.359 3.036 20 0 BGADHN CCC(CC)[C@H](O)CN[C@H](C)c1ccc(C)o1 ZINC000223440835 386085489 /nfs/dbraw/zinc/08/54/89/386085489.db2.gz KWGJNMWKNMLQSE-DGCLKSJQSA-N 0 3 239.359 3.036 20 0 BGADHN CC(C)N1CCC(Oc2ccccc2F)CC1 ZINC000223449022 488163384 /nfs/dbraw/zinc/16/33/84/488163384.db2.gz ZHKCAHSSMNEOIX-UHFFFAOYSA-N 0 3 237.318 3.077 20 0 BGADHN CCC[C@@](C)(O)CN[C@@H](C)c1ccccc1F ZINC000223487008 386086939 /nfs/dbraw/zinc/08/69/39/386086939.db2.gz FVQFIBCEDXBTBD-SMDDNHRTSA-N 0 3 239.334 3.027 20 0 BGADHN CCC[C@](C)(O)CN[C@@H](C)c1ccccc1F ZINC000223487069 386087786 /nfs/dbraw/zinc/08/77/86/386087786.db2.gz FVQFIBCEDXBTBD-FZMZJTMJSA-N 0 3 239.334 3.027 20 0 BGADHN CCC[C@@](C)(O)CN[C@H](C)c1ccccc1F ZINC000223487128 386087978 /nfs/dbraw/zinc/08/79/78/386087978.db2.gz FVQFIBCEDXBTBD-BXUZGUMPSA-N 0 3 239.334 3.027 20 0 BGADHN CCC[C@](C)(O)CN[C@H](C)c1ccccc1F ZINC000223487181 386087892 /nfs/dbraw/zinc/08/78/92/386087892.db2.gz FVQFIBCEDXBTBD-RISCZKNCSA-N 0 3 239.334 3.027 20 0 BGADHN C[C@@H](NC/C=C/Cl)c1ccc(F)cc1 ZINC000223576672 592536691 /nfs/dbraw/zinc/53/66/91/592536691.db2.gz AKDYABKFQQGQCX-WEMAUNJASA-N 0 3 213.683 3.229 20 0 BGADHN C[C@H](NC/C=C/Cl)c1ccc(F)cc1 ZINC000223576727 592536753 /nfs/dbraw/zinc/53/67/53/592536753.db2.gz AKDYABKFQQGQCX-NOKZVFQSSA-N 0 3 213.683 3.229 20 0 BGADHN CC[C@@H](NC/C=C/Cl)c1ccccc1 ZINC000223626976 645901573 /nfs/dbraw/zinc/90/15/73/645901573.db2.gz CQYRJJMQADDWBY-UVMWJGKXSA-N 0 3 209.720 3.480 20 0 BGADHN CC[C@H](NC/C=C/Cl)c1ccccc1 ZINC000223627044 645901379 /nfs/dbraw/zinc/90/13/79/645901379.db2.gz CQYRJJMQADDWBY-LZGFCCKTSA-N 0 3 209.720 3.480 20 0 BGADHN COc1ccc([C@@H](C)NC/C=C/Cl)cc1 ZINC000223628767 191067776 /nfs/dbraw/zinc/06/77/76/191067776.db2.gz CDXWMAHRUDSQIW-SIUBYYJGSA-N 0 3 225.719 3.098 20 0 BGADHN COc1ccc([C@H](C)NC/C=C/Cl)cc1 ZINC000223628824 175188228 /nfs/dbraw/zinc/18/82/28/175188228.db2.gz CDXWMAHRUDSQIW-ANRVEHPFSA-N 0 3 225.719 3.098 20 0 BGADHN C[C@@H]([N@@H+](C)Cc1cc([O-])cc(F)c1)C(C)(C)C ZINC000223756559 358230685 /nfs/dbraw/zinc/23/06/85/358230685.db2.gz YOXTWNUCSNHRBQ-SNVBAGLBSA-N 0 3 239.334 3.398 20 0 BGADHN C[C@@H]([N@H+](C)Cc1cc([O-])cc(F)c1)C(C)(C)C ZINC000223756559 358230680 /nfs/dbraw/zinc/23/06/80/358230680.db2.gz YOXTWNUCSNHRBQ-SNVBAGLBSA-N 0 3 239.334 3.398 20 0 BGADHN C[C@H]([N@@H+](C)Cc1cc([O-])cc(F)c1)C(C)(C)C ZINC000223756608 358230704 /nfs/dbraw/zinc/23/07/04/358230704.db2.gz YOXTWNUCSNHRBQ-JTQLQIEISA-N 0 3 239.334 3.398 20 0 BGADHN C[C@H]([N@H+](C)Cc1cc([O-])cc(F)c1)C(C)(C)C ZINC000223756608 358230702 /nfs/dbraw/zinc/23/07/02/358230702.db2.gz YOXTWNUCSNHRBQ-JTQLQIEISA-N 0 3 239.334 3.398 20 0 BGADHN CCC[C@@H](N)C(=O)Nc1c(C)cccc1C(C)C ZINC000223760787 169392203 /nfs/dbraw/zinc/39/22/03/169392203.db2.gz XZLDPXFCCKORAV-CYBMUJFWSA-N 0 3 248.370 3.184 20 0 BGADHN CCC[C@H](N)C(=O)Nc1c(C)cccc1C(C)C ZINC000223760847 537876026 /nfs/dbraw/zinc/87/60/26/537876026.db2.gz XZLDPXFCCKORAV-ZDUSSCGKSA-N 0 3 248.370 3.184 20 0 BGADHN CC(C)C[N@@H+](Cc1cc([O-])cc(F)c1)C(C)C ZINC000223762994 134339527 /nfs/dbraw/zinc/33/95/27/134339527.db2.gz VQQDUBUNDQXPRX-UHFFFAOYSA-N 0 3 239.334 3.398 20 0 BGADHN CC(C)C[N@H+](Cc1cc([O-])cc(F)c1)C(C)C ZINC000223762994 134339526 /nfs/dbraw/zinc/33/95/26/134339526.db2.gz VQQDUBUNDQXPRX-UHFFFAOYSA-N 0 3 239.334 3.398 20 0 BGADHN CC1(C)CCN(Cc2cc(O)cc(F)c2)CC1 ZINC000223766836 535315859 /nfs/dbraw/zinc/31/58/59/535315859.db2.gz QOCBEBUPDOLBBJ-UHFFFAOYSA-N 0 3 237.318 3.153 20 0 BGADHN C[C@@H]1CCCCC[N@H+]1Cc1cc([O-])cc(F)c1 ZINC000223772147 134339772 /nfs/dbraw/zinc/33/97/72/134339772.db2.gz ZLZDDPFJUDKOJQ-LLVKDONJSA-N 0 3 237.318 3.296 20 0 BGADHN C[C@@H]1CCCCC[N@@H+]1Cc1cc([O-])cc(F)c1 ZINC000223772147 134339771 /nfs/dbraw/zinc/33/97/71/134339771.db2.gz ZLZDDPFJUDKOJQ-LLVKDONJSA-N 0 3 237.318 3.296 20 0 BGADHN C[C@H]1CCCCC[N@H+]1Cc1cc([O-])cc(F)c1 ZINC000223772199 134339756 /nfs/dbraw/zinc/33/97/56/134339756.db2.gz ZLZDDPFJUDKOJQ-NSHDSACASA-N 0 3 237.318 3.296 20 0 BGADHN C[C@H]1CCCCC[N@@H+]1Cc1cc([O-])cc(F)c1 ZINC000223772199 134339755 /nfs/dbraw/zinc/33/97/55/134339755.db2.gz ZLZDDPFJUDKOJQ-NSHDSACASA-N 0 3 237.318 3.296 20 0 BGADHN CC(C)[C@@H]1CCC[N@H+]1Cc1cc([O-])cc(F)c1 ZINC000223773998 134339392 /nfs/dbraw/zinc/33/93/92/134339392.db2.gz AKGRSKCDJULPRN-AWEZNQCLSA-N 0 3 237.318 3.152 20 0 BGADHN CC(C)[C@@H]1CCC[N@@H+]1Cc1cc([O-])cc(F)c1 ZINC000223773998 134339391 /nfs/dbraw/zinc/33/93/91/134339391.db2.gz AKGRSKCDJULPRN-AWEZNQCLSA-N 0 3 237.318 3.152 20 0 BGADHN CC(C)[C@H]1CCC[N@H+]1Cc1cc([O-])cc(F)c1 ZINC000223774046 535182801 /nfs/dbraw/zinc/18/28/01/535182801.db2.gz AKGRSKCDJULPRN-CQSZACIVSA-N 0 3 237.318 3.152 20 0 BGADHN CC(C)[C@H]1CCC[N@@H+]1Cc1cc([O-])cc(F)c1 ZINC000223774046 535182798 /nfs/dbraw/zinc/18/27/98/535182798.db2.gz AKGRSKCDJULPRN-CQSZACIVSA-N 0 3 237.318 3.152 20 0 BGADHN CC[C@@H](C)C[N@@H+](CC)Cc1cc([O-])cc(F)c1 ZINC000223775067 535509411 /nfs/dbraw/zinc/50/94/11/535509411.db2.gz KBACSVOJXCEWLG-LLVKDONJSA-N 0 3 239.334 3.399 20 0 BGADHN CC[C@@H](C)C[N@H+](CC)Cc1cc([O-])cc(F)c1 ZINC000223775067 535509403 /nfs/dbraw/zinc/50/94/03/535509403.db2.gz KBACSVOJXCEWLG-LLVKDONJSA-N 0 3 239.334 3.399 20 0 BGADHN CC[C@H](C)C[N@@H+](CC)Cc1cc([O-])cc(F)c1 ZINC000223775104 134339578 /nfs/dbraw/zinc/33/95/78/134339578.db2.gz KBACSVOJXCEWLG-NSHDSACASA-N 0 3 239.334 3.399 20 0 BGADHN CC[C@H](C)C[N@H+](CC)Cc1cc([O-])cc(F)c1 ZINC000223775104 134339577 /nfs/dbraw/zinc/33/95/77/134339577.db2.gz KBACSVOJXCEWLG-NSHDSACASA-N 0 3 239.334 3.399 20 0 BGADHN CC1(C)CCC[C@@H]1[NH2+]Cc1ccc([O-])c(F)c1 ZINC000223775852 134339819 /nfs/dbraw/zinc/33/98/19/134339819.db2.gz WXWPSQPGWZCSIK-ZDUSSCGKSA-N 0 3 237.318 3.200 20 0 BGADHN CC1(C)CCC[C@H]1[NH2+]Cc1ccc([O-])c(F)c1 ZINC000223775908 535308993 /nfs/dbraw/zinc/30/89/93/535308993.db2.gz WXWPSQPGWZCSIK-CYBMUJFWSA-N 0 3 237.318 3.200 20 0 BGADHN [O-]c1cc(F)cc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000223776522 358230951 /nfs/dbraw/zinc/23/09/51/358230951.db2.gz OLXCOAHFIHMEKW-WFASDCNBSA-N 0 3 249.329 3.296 20 0 BGADHN [O-]c1cc(F)cc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000223776522 358230947 /nfs/dbraw/zinc/23/09/47/358230947.db2.gz OLXCOAHFIHMEKW-WFASDCNBSA-N 0 3 249.329 3.296 20 0 BGADHN CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1cc([O-])cc(F)c1 ZINC000223777245 134339737 /nfs/dbraw/zinc/33/97/37/134339737.db2.gz QBPOQRMLUWIKHD-ZWNOBZJWSA-N 0 3 237.318 3.294 20 0 BGADHN CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1cc([O-])cc(F)c1 ZINC000223777245 134339736 /nfs/dbraw/zinc/33/97/36/134339736.db2.gz QBPOQRMLUWIKHD-ZWNOBZJWSA-N 0 3 237.318 3.294 20 0 BGADHN CC[C@H]1CC[C@@H](C)[N@H+]1Cc1cc([O-])cc(F)c1 ZINC000223777306 536093160 /nfs/dbraw/zinc/09/31/60/536093160.db2.gz QBPOQRMLUWIKHD-MFKMUULPSA-N 0 3 237.318 3.294 20 0 BGADHN CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1cc([O-])cc(F)c1 ZINC000223777306 536093155 /nfs/dbraw/zinc/09/31/55/536093155.db2.gz QBPOQRMLUWIKHD-MFKMUULPSA-N 0 3 237.318 3.294 20 0 BGADHN CC[C@@H]1CC[C@H](C)[N@H+]1Cc1cc([O-])cc(F)c1 ZINC000223777365 134339505 /nfs/dbraw/zinc/33/95/05/134339505.db2.gz QBPOQRMLUWIKHD-GXFFZTMASA-N 0 3 237.318 3.294 20 0 BGADHN CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1cc([O-])cc(F)c1 ZINC000223777365 134339504 /nfs/dbraw/zinc/33/95/04/134339504.db2.gz QBPOQRMLUWIKHD-GXFFZTMASA-N 0 3 237.318 3.294 20 0 BGADHN CC[C@H]1CC[C@H](C)[N@H+]1Cc1cc([O-])cc(F)c1 ZINC000223777423 134339768 /nfs/dbraw/zinc/33/97/68/134339768.db2.gz QBPOQRMLUWIKHD-GWCFXTLKSA-N 0 3 237.318 3.294 20 0 BGADHN CC[C@H]1CC[C@H](C)[N@@H+]1Cc1cc([O-])cc(F)c1 ZINC000223777423 134339767 /nfs/dbraw/zinc/33/97/67/134339767.db2.gz QBPOQRMLUWIKHD-GWCFXTLKSA-N 0 3 237.318 3.294 20 0 BGADHN CC(C)[C@@H]1CC[N@@H+](Cc2cc([O-])cc(F)c2)C1 ZINC000223778475 388657621 /nfs/dbraw/zinc/65/76/21/388657621.db2.gz BNIMINUYIKLPNS-GFCCVEGCSA-N 0 3 237.318 3.009 20 0 BGADHN CC(C)[C@@H]1CC[N@H+](Cc2cc([O-])cc(F)c2)C1 ZINC000223778475 388657619 /nfs/dbraw/zinc/65/76/19/388657619.db2.gz BNIMINUYIKLPNS-GFCCVEGCSA-N 0 3 237.318 3.009 20 0 BGADHN CC(C)[C@H]1CC[N@@H+](Cc2cc([O-])cc(F)c2)C1 ZINC000223778531 388658229 /nfs/dbraw/zinc/65/82/29/388658229.db2.gz BNIMINUYIKLPNS-LBPRGKRZSA-N 0 3 237.318 3.009 20 0 BGADHN CC(C)[C@H]1CC[N@H+](Cc2cc([O-])cc(F)c2)C1 ZINC000223778531 388658226 /nfs/dbraw/zinc/65/82/26/388658226.db2.gz BNIMINUYIKLPNS-LBPRGKRZSA-N 0 3 237.318 3.009 20 0 BGADHN C[C@@H](NCC1(C)CCCCC1)c1nccn1C ZINC000223815802 134343018 /nfs/dbraw/zinc/34/30/18/134343018.db2.gz SYFBPYWVKKFANV-GFCCVEGCSA-N 0 3 235.375 3.041 20 0 BGADHN C[C@H](NCC1(C)CCCCC1)c1nccn1C ZINC000223815808 134342963 /nfs/dbraw/zinc/34/29/63/134342963.db2.gz SYFBPYWVKKFANV-LBPRGKRZSA-N 0 3 235.375 3.041 20 0 BGADHN CC1(CNCc2ccc3ccccc3n2)CC1 ZINC000224166652 388661078 /nfs/dbraw/zinc/66/10/78/388661078.db2.gz CEVSCUPAPHVBTA-UHFFFAOYSA-N 0 3 226.323 3.125 20 0 BGADHN CO[C@@H](C)CNCc1cc(Cl)ccc1Cl ZINC000224166689 398102581 /nfs/dbraw/zinc/10/25/81/398102581.db2.gz NHDPSDMOPZIWEF-QMMMGPOBSA-N 0 3 248.153 3.118 20 0 BGADHN CO[C@H](C)CNCc1cc(Cl)ccc1Cl ZINC000224166748 174834283 /nfs/dbraw/zinc/83/42/83/174834283.db2.gz NHDPSDMOPZIWEF-MRVPVSSYSA-N 0 3 248.153 3.118 20 0 BGADHN Cc1ccc(F)c(CNCC2(C)CC2)c1 ZINC000224170094 134342239 /nfs/dbraw/zinc/34/22/39/134342239.db2.gz INUSAEKNAWWYNF-UHFFFAOYSA-N 0 3 207.292 3.024 20 0 BGADHN COc1cccc(Cl)c1CNCC1(C)CC1 ZINC000224171998 134341926 /nfs/dbraw/zinc/34/19/26/134341926.db2.gz CJNHBJJUOKTOIP-UHFFFAOYSA-N 0 3 239.746 3.238 20 0 BGADHN COc1ccc(Cl)cc1CNCC1(C)CC1 ZINC000224176725 488015318 /nfs/dbraw/zinc/01/53/18/488015318.db2.gz NGHXKFJZODCATD-UHFFFAOYSA-N 0 3 239.746 3.238 20 0 BGADHN CC1(CNCc2c(F)cccc2Cl)CC1 ZINC000224177796 535151356 /nfs/dbraw/zinc/15/13/56/535151356.db2.gz UXFYXUJGJRXYJI-UHFFFAOYSA-N 0 3 227.710 3.369 20 0 BGADHN CC1(CNCc2ccccc2Cl)CC1 ZINC000224180323 535153242 /nfs/dbraw/zinc/15/32/42/535153242.db2.gz CUPRQHFENKOTTB-UHFFFAOYSA-N 0 3 209.720 3.230 20 0 BGADHN CC(C)(C)c1ncc(CNCC2(C)CC2)s1 ZINC000224182525 534915024 /nfs/dbraw/zinc/91/50/24/534915024.db2.gz XTTWALMFMQGFGC-UHFFFAOYSA-N 0 3 238.400 3.330 20 0 BGADHN CC1(CNCc2cccc3c2OC(C)(C)C3)CC1 ZINC000224185669 535152994 /nfs/dbraw/zinc/15/29/94/535152994.db2.gz GUJJZWOCYULFNY-UHFFFAOYSA-N 0 3 245.366 3.290 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CNCC2(C)CC2)o1 ZINC000224186442 134342653 /nfs/dbraw/zinc/34/26/53/134342653.db2.gz ZZPGJIUIEWICJQ-PWSUYJOCSA-N 0 3 219.328 3.293 20 0 BGADHN C[C@H]1C[C@@H]1c1ccc(CNCC2(C)CC2)o1 ZINC000224186494 134342637 /nfs/dbraw/zinc/34/26/37/134342637.db2.gz ZZPGJIUIEWICJQ-JQWIXIFHSA-N 0 3 219.328 3.293 20 0 BGADHN C[C@@H]1C[C@H]1c1ccc(CNCC2(C)CC2)o1 ZINC000224186547 134342347 /nfs/dbraw/zinc/34/23/47/134342347.db2.gz ZZPGJIUIEWICJQ-ZYHUDNBSSA-N 0 3 219.328 3.293 20 0 BGADHN C[C@H]1C[C@H]1c1ccc(CNCC2(C)CC2)o1 ZINC000224186594 134342533 /nfs/dbraw/zinc/34/25/33/134342533.db2.gz ZZPGJIUIEWICJQ-CMPLNLGQSA-N 0 3 219.328 3.293 20 0 BGADHN CC1(CNCc2ccccc2OC(F)F)CC1 ZINC000224187694 535152817 /nfs/dbraw/zinc/15/28/17/535152817.db2.gz ZIOCAAOYSMKXRB-UHFFFAOYSA-N 0 3 241.281 3.178 20 0 BGADHN CC(C)Oc1ccccc1CNCC1(C)CC1 ZINC000224188934 134342505 /nfs/dbraw/zinc/34/25/05/134342505.db2.gz ZMWGFFSLRLSHRM-UHFFFAOYSA-N 0 3 233.355 3.364 20 0 BGADHN Clc1ccccc1CNC[C@@H]1CCSC1 ZINC000224280385 388662086 /nfs/dbraw/zinc/66/20/86/388662086.db2.gz WVVFLNVEGAKNSS-JTQLQIEISA-N 0 3 241.787 3.183 20 0 BGADHN Clc1ccccc1CNC[C@H]1CCSC1 ZINC000224280433 388661743 /nfs/dbraw/zinc/66/17/43/388661743.db2.gz WVVFLNVEGAKNSS-SNVBAGLBSA-N 0 3 241.787 3.183 20 0 BGADHN CCC[C@@H](CCO)CN[C@@H](C)c1ccc(C)o1 ZINC000224371085 169383254 /nfs/dbraw/zinc/38/32/54/169383254.db2.gz XKRWTWNRQUGUMP-STQMWFEESA-N 0 3 239.359 3.037 20 0 BGADHN CCC[C@H](CCO)CN[C@@H](C)c1ccc(C)o1 ZINC000224371134 386137941 /nfs/dbraw/zinc/13/79/41/386137941.db2.gz XKRWTWNRQUGUMP-QWHCGFSZSA-N 0 3 239.359 3.037 20 0 BGADHN CCC[C@@H](CCO)CN[C@H](C)c1ccc(C)o1 ZINC000224371190 169382796 /nfs/dbraw/zinc/38/27/96/169382796.db2.gz XKRWTWNRQUGUMP-OLZOCXBDSA-N 0 3 239.359 3.037 20 0 BGADHN CCC[C@H](CCO)CN[C@H](C)c1ccc(C)o1 ZINC000224371243 386137091 /nfs/dbraw/zinc/13/70/91/386137091.db2.gz XKRWTWNRQUGUMP-CHWSQXEVSA-N 0 3 239.359 3.037 20 0 BGADHN CCOC1CC(NCc2ccc([C@@H]3C[C@@H]3C)o2)C1 ZINC000224376027 358232682 /nfs/dbraw/zinc/23/26/82/358232682.db2.gz AGEDTIZJQWWUNV-PYULLRNSSA-N 0 3 249.354 3.060 20 0 BGADHN CCOC1CC(NCc2ccc([C@H]3C[C@@H]3C)o2)C1 ZINC000224376074 358232817 /nfs/dbraw/zinc/23/28/17/358232817.db2.gz AGEDTIZJQWWUNV-PSPOIRCVSA-N 0 3 249.354 3.060 20 0 BGADHN CCOC1CC(NCc2ccc([C@@H]3C[C@H]3C)o2)C1 ZINC000224376123 358232307 /nfs/dbraw/zinc/23/23/07/358232307.db2.gz AGEDTIZJQWWUNV-XXIIAIFYSA-N 0 3 249.354 3.060 20 0 BGADHN CCOC1CC(NCc2ccc([C@H]3C[C@H]3C)o2)C1 ZINC000224376181 358232715 /nfs/dbraw/zinc/23/27/15/358232715.db2.gz AGEDTIZJQWWUNV-UZRPSVAASA-N 0 3 249.354 3.060 20 0 BGADHN C[C@@H](NCC1(C)CC1)c1ccccc1F ZINC000224397051 134346437 /nfs/dbraw/zinc/34/64/37/134346437.db2.gz DJSBSLJCQAVIHP-SNVBAGLBSA-N 0 3 207.292 3.276 20 0 BGADHN C[C@H](NCC1(C)CC1)c1ccccc1F ZINC000224397098 134346554 /nfs/dbraw/zinc/34/65/54/134346554.db2.gz DJSBSLJCQAVIHP-JTQLQIEISA-N 0 3 207.292 3.276 20 0 BGADHN C[C@@H](NCC1(C)CC1)c1cc(F)ccc1F ZINC000224399039 134346306 /nfs/dbraw/zinc/34/63/06/134346306.db2.gz YWWYWRAWZFFMSA-SECBINFHSA-N 0 3 225.282 3.416 20 0 BGADHN C[C@H](NCC1(C)CC1)c1cc(F)ccc1F ZINC000224399090 134346176 /nfs/dbraw/zinc/34/61/76/134346176.db2.gz YWWYWRAWZFFMSA-VIFPVBQESA-N 0 3 225.282 3.416 20 0 BGADHN C[C@@H](NCC1(C)CC1)c1ccc(F)cc1F ZINC000224400104 134346506 /nfs/dbraw/zinc/34/65/06/134346506.db2.gz FHQAMHXWNMSTJH-SECBINFHSA-N 0 3 225.282 3.416 20 0 BGADHN C[C@H](NCC1(C)CC1)c1ccc(F)cc1F ZINC000224400159 134346346 /nfs/dbraw/zinc/34/63/46/134346346.db2.gz FHQAMHXWNMSTJH-VIFPVBQESA-N 0 3 225.282 3.416 20 0 BGADHN CCOC1CC(NCc2cc3ccccc3o2)C1 ZINC000224418194 358233494 /nfs/dbraw/zinc/23/34/94/358233494.db2.gz ZTCCZWVWBAEJEM-UHFFFAOYSA-N 0 3 245.322 3.090 20 0 BGADHN CO[C@@H]1CCC[C@H]1N[C@@H](C)c1ccccc1F ZINC000224422641 259349721 /nfs/dbraw/zinc/34/97/21/259349721.db2.gz VLUDPTGHJRVAAG-ZLKJLUDKSA-N 0 3 237.318 3.044 20 0 BGADHN CO[C@@H]1CCC[C@H]1N[C@@H](C)c1ccc(F)cc1 ZINC000224423169 388663978 /nfs/dbraw/zinc/66/39/78/388663978.db2.gz AKLXXRZWOUBBDZ-ZLKJLUDKSA-N 0 3 237.318 3.044 20 0 BGADHN CCOC1CC(NCc2coc3ccccc23)C1 ZINC000224426251 170329615 /nfs/dbraw/zinc/32/96/15/170329615.db2.gz DGJCOLSIVMMAHN-UHFFFAOYSA-N 0 3 245.322 3.090 20 0 BGADHN CO[C@@H]1CCC[C@H]1N[C@@H](C)c1cccc(F)c1 ZINC000224426326 388664480 /nfs/dbraw/zinc/66/44/80/388664480.db2.gz PQPRTYCXRQFGCC-ZLKJLUDKSA-N 0 3 237.318 3.044 20 0 BGADHN CO[C@@H]1CCC[C@H]1N[C@@H](C)c1cc(C)oc1C ZINC000224430755 259349700 /nfs/dbraw/zinc/34/97/00/259349700.db2.gz UOHKHJAMLBTMKE-ZLKJLUDKSA-N 0 3 237.343 3.115 20 0 BGADHN CC1(CNc2ccnc3ccccc32)CC1 ZINC000224434406 535159323 /nfs/dbraw/zinc/15/93/23/535159323.db2.gz NXZMRZJWKIDFIV-UHFFFAOYSA-N 0 3 212.296 3.447 20 0 BGADHN Cc1cnc([C@H](C)N[C@@H]2CC[C@@H](C)C2)s1 ZINC000224490962 134348217 /nfs/dbraw/zinc/34/82/17/134348217.db2.gz HSGYDMQNFTTXRI-DVVUODLYSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1cnc([C@H](C)N[C@H]2CC[C@@H](C)C2)s1 ZINC000224491060 363192129 /nfs/dbraw/zinc/19/21/29/363192129.db2.gz HSGYDMQNFTTXRI-MIMYLULJSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1cc(C)c(CNCCOCC2CC2)c(C)c1 ZINC000224533110 388665925 /nfs/dbraw/zinc/66/59/25/388665925.db2.gz RDCIPXFAVGMSKV-UHFFFAOYSA-N 0 3 247.382 3.128 20 0 BGADHN Cc1cc(C)c(CNCCOCC2CC2)cc1C ZINC000224533818 388666341 /nfs/dbraw/zinc/66/63/41/388666341.db2.gz FGWYPXYSRDZKSC-UHFFFAOYSA-N 0 3 247.382 3.128 20 0 BGADHN CO[C@@H]1C[C@@H](N[C@@H](C)c2ccsc2)C1(C)C ZINC000224534689 134348608 /nfs/dbraw/zinc/34/86/08/134348608.db2.gz AEFIJGHQSWQEEF-MVWJERBFSA-N 0 3 239.384 3.212 20 0 BGADHN CO[C@@H]1C[C@H](N[C@@H](C)c2ccsc2)C1(C)C ZINC000224534773 536808587 /nfs/dbraw/zinc/80/85/87/536808587.db2.gz AEFIJGHQSWQEEF-ZMLRMANQSA-N 0 3 239.384 3.212 20 0 BGADHN CC(C)c1ccc(CNCCOCC2CC2)cc1 ZINC000224535179 259350165 /nfs/dbraw/zinc/35/01/65/259350165.db2.gz OGZKQBFYAHGRCA-UHFFFAOYSA-N 0 3 247.382 3.326 20 0 BGADHN CO[C@@H]1C[C@@H](N[C@@H](C)c2ccc(C)o2)C1(C)C ZINC000224536968 536799308 /nfs/dbraw/zinc/79/93/08/536799308.db2.gz RXIZKXJKNSZLBQ-CYZMBNFOSA-N 0 3 237.343 3.052 20 0 BGADHN CO[C@@H]1C[C@H](N[C@@H](C)c2ccc(C)o2)C1(C)C ZINC000224537066 536809146 /nfs/dbraw/zinc/80/91/46/536809146.db2.gz RXIZKXJKNSZLBQ-WCFLWFBJSA-N 0 3 237.343 3.052 20 0 BGADHN CCc1ccc(CNCCOC(C)(C)C)s1 ZINC000224742639 388669441 /nfs/dbraw/zinc/66/94/41/388669441.db2.gz HVEHYPRKNFBUSJ-UHFFFAOYSA-N 0 3 241.400 3.215 20 0 BGADHN FC(F)(F)c1ccccc1CN1CCCC1 ZINC000224852935 345750363 /nfs/dbraw/zinc/75/03/63/345750363.db2.gz WXUSDTCUONGDIZ-UHFFFAOYSA-N 0 3 229.245 3.301 20 0 BGADHN C[C@H](NC/C=C\CO)c1cccc2ccccc21 ZINC000224925901 487870235 /nfs/dbraw/zinc/87/02/35/487870235.db2.gz HWMCSJYZMDBWAY-ZFDPJTLLSA-N 0 3 241.334 3.039 20 0 BGADHN C[C@H](NC/C=C/CO)c1cccc2ccccc21 ZINC000224925938 487869971 /nfs/dbraw/zinc/86/99/71/487869971.db2.gz HWMCSJYZMDBWAY-IHVVCDCBSA-N 0 3 241.334 3.039 20 0 BGADHN C[C@@H](NC/C=C\CO)c1cccc2ccccc21 ZINC000224925979 487870013 /nfs/dbraw/zinc/87/00/13/487870013.db2.gz HWMCSJYZMDBWAY-DSYXLKISSA-N 0 3 241.334 3.039 20 0 BGADHN COC(C)(C)CN[C@@H](C)c1cccc(F)c1F ZINC000225000533 134352889 /nfs/dbraw/zinc/35/28/89/134352889.db2.gz ASWDRXWGUSPBOL-VIFPVBQESA-N 0 3 243.297 3.040 20 0 BGADHN COC(C)(C)CN[C@H](C)c1cccc(F)c1F ZINC000225000570 134352559 /nfs/dbraw/zinc/35/25/59/134352559.db2.gz ASWDRXWGUSPBOL-SECBINFHSA-N 0 3 243.297 3.040 20 0 BGADHN C[C@@H](NC1CCC1)c1cccc(F)c1F ZINC000225002165 385053005 /nfs/dbraw/zinc/05/30/05/385053005.db2.gz NXULZGSDAAQRKG-MRVPVSSYSA-N 0 3 211.255 3.168 20 0 BGADHN C[C@H](NC1CCC1)c1cccc(F)c1F ZINC000225002196 487605870 /nfs/dbraw/zinc/60/58/70/487605870.db2.gz NXULZGSDAAQRKG-QMMMGPOBSA-N 0 3 211.255 3.168 20 0 BGADHN C[C@@H](NCC1(C)CC1)c1cccc(F)c1F ZINC000225005124 134352814 /nfs/dbraw/zinc/35/28/14/134352814.db2.gz OVURLRKTCOWVJP-SECBINFHSA-N 0 3 225.282 3.416 20 0 BGADHN C[C@H](NCC1(C)CC1)c1cccc(F)c1F ZINC000225005163 134352730 /nfs/dbraw/zinc/35/27/30/134352730.db2.gz OVURLRKTCOWVJP-VIFPVBQESA-N 0 3 225.282 3.416 20 0 BGADHN CCCn1nccc1CNCCCC1CCCC1 ZINC000225084757 488226677 /nfs/dbraw/zinc/22/66/77/488226677.db2.gz RAPQGGXYZJHBIT-UHFFFAOYSA-N 0 3 249.402 3.353 20 0 BGADHN Cc1cc(CNC23CC4CC(CC(C4)C2)C3)no1 ZINC000225184480 345750439 /nfs/dbraw/zinc/75/04/39/345750439.db2.gz UWAJZYNPIMKZDC-UHFFFAOYSA-N 0 3 246.354 3.041 20 0 BGADHN Fc1cc(F)c(CNCC2CCCC2)cc1F ZINC000225250994 388677929 /nfs/dbraw/zinc/67/79/29/388677929.db2.gz LBXUSLJVLPVUST-UHFFFAOYSA-N 0 3 243.272 3.384 20 0 BGADHN CC(C)(C)CNCc1cc(F)c(F)cc1F ZINC000225263525 358247362 /nfs/dbraw/zinc/24/73/62/358247362.db2.gz AMCYHWZIMAOLMY-UHFFFAOYSA-N 0 3 231.261 3.240 20 0 BGADHN CCc1ccc(CNC/C=C/Cl)s1 ZINC000225266526 640680769 /nfs/dbraw/zinc/68/07/69/640680769.db2.gz DKNOBPZCULMAHJ-ZZXKWVIFSA-N 0 3 215.749 3.153 20 0 BGADHN CC1(C)C[C@@H]1CNCc1cc(F)c(F)cc1F ZINC000225279253 134351737 /nfs/dbraw/zinc/35/17/37/134351737.db2.gz WVWQMYRHERQKFQ-SECBINFHSA-N 0 3 243.272 3.240 20 0 BGADHN CC1(C)C[C@H]1CNCc1cc(F)c(F)cc1F ZINC000225279287 534918423 /nfs/dbraw/zinc/91/84/23/534918423.db2.gz WVWQMYRHERQKFQ-VIFPVBQESA-N 0 3 243.272 3.240 20 0 BGADHN Fc1cc(F)c(CN[C@@H]2CC=CCC2)cc1F ZINC000225283581 345140139 /nfs/dbraw/zinc/14/01/39/345140139.db2.gz UBYCVYXHEUOWRW-SNVBAGLBSA-N 0 3 241.256 3.302 20 0 BGADHN Fc1cc(F)c(CN[C@H]2CC=CCC2)cc1F ZINC000225283609 345140160 /nfs/dbraw/zinc/14/01/60/345140160.db2.gz UBYCVYXHEUOWRW-JTQLQIEISA-N 0 3 241.256 3.302 20 0 BGADHN CC(C)(NCc1cc(F)c(F)cc1F)C1CC1 ZINC000225287887 358247665 /nfs/dbraw/zinc/24/76/65/358247665.db2.gz UPWDAXZIPAZRPP-UHFFFAOYSA-N 0 3 243.272 3.382 20 0 BGADHN Fc1ccc(CN[C@@H]2CCSC2)c(Cl)c1 ZINC000225290957 180969743 /nfs/dbraw/zinc/96/97/43/180969743.db2.gz TUEFZMBMUALWMF-SNVBAGLBSA-N 0 3 245.750 3.074 20 0 BGADHN Fc1ccc(CN[C@H]2CCSC2)c(Cl)c1 ZINC000225290986 388678243 /nfs/dbraw/zinc/67/82/43/388678243.db2.gz TUEFZMBMUALWMF-JTQLQIEISA-N 0 3 245.750 3.074 20 0 BGADHN CC1(CNCc2ccc(F)cc2Cl)CC1 ZINC000225293016 535153189 /nfs/dbraw/zinc/15/31/89/535153189.db2.gz CIHRPAKAAMXJEI-UHFFFAOYSA-N 0 3 227.710 3.369 20 0 BGADHN C[C@@H]1CCCC[C@@H]1NCc1ncc(Cl)s1 ZINC000225293244 134351740 /nfs/dbraw/zinc/35/17/40/134351740.db2.gz NESBMPPYBGKYOB-BDAKNGLRSA-N 0 3 244.791 3.465 20 0 BGADHN C[C@H]1CCCC[C@@H]1NCc1ncc(Cl)s1 ZINC000225293272 134351969 /nfs/dbraw/zinc/35/19/69/134351969.db2.gz NESBMPPYBGKYOB-IUCAKERBSA-N 0 3 244.791 3.465 20 0 BGADHN C[C@@H]1CCCC[C@H]1NCc1ncc(Cl)s1 ZINC000225293309 134351928 /nfs/dbraw/zinc/35/19/28/134351928.db2.gz NESBMPPYBGKYOB-RKDXNWHRSA-N 0 3 244.791 3.465 20 0 BGADHN C[C@H]1CCCC[C@H]1NCc1ncc(Cl)s1 ZINC000225293340 134351943 /nfs/dbraw/zinc/35/19/43/134351943.db2.gz NESBMPPYBGKYOB-DTWKUNHWSA-N 0 3 244.791 3.465 20 0 BGADHN CCC(CC)NCc1ncc(Cl)s1 ZINC000225294600 346108059 /nfs/dbraw/zinc/10/80/59/346108059.db2.gz NMRZXMBDYKRNNL-UHFFFAOYSA-N 0 3 218.753 3.075 20 0 BGADHN Clc1cnc(CNCC2CCCCC2)s1 ZINC000225295434 134351926 /nfs/dbraw/zinc/35/19/26/134351926.db2.gz IGEUSRBVOVKGQZ-UHFFFAOYSA-N 0 3 244.791 3.466 20 0 BGADHN Clc1cnc(CNC2CCCCC2)s1 ZINC000225296371 345140000 /nfs/dbraw/zinc/14/00/00/345140000.db2.gz GADZPLNCFLWOIY-UHFFFAOYSA-N 0 3 230.764 3.219 20 0 BGADHN CC1CCC(NCc2ncc(Cl)s2)CC1 ZINC000225298460 134352051 /nfs/dbraw/zinc/35/20/51/134352051.db2.gz MZHYJJVQIVJDLN-UHFFFAOYSA-N 0 3 244.791 3.465 20 0 BGADHN Clc1cnc(CNCC2CCCC2)s1 ZINC000225306808 134354424 /nfs/dbraw/zinc/35/44/24/134354424.db2.gz KMRYMJVWMZJKHI-UHFFFAOYSA-N 0 3 230.764 3.076 20 0 BGADHN C[C@@H]1CCC[C@@H](NCc2ncc(Cl)s2)C1 ZINC000225306960 134354592 /nfs/dbraw/zinc/35/45/92/134354592.db2.gz WQDUTDRPIGSICI-RKDXNWHRSA-N 0 3 244.791 3.465 20 0 BGADHN C[C@H]1CCC[C@@H](NCc2ncc(Cl)s2)C1 ZINC000225306974 134354217 /nfs/dbraw/zinc/35/42/17/134354217.db2.gz WQDUTDRPIGSICI-DTWKUNHWSA-N 0 3 244.791 3.465 20 0 BGADHN C[C@@H]1CCC[C@H](NCc2ncc(Cl)s2)C1 ZINC000225306989 134354478 /nfs/dbraw/zinc/35/44/78/134354478.db2.gz WQDUTDRPIGSICI-BDAKNGLRSA-N 0 3 244.791 3.465 20 0 BGADHN C[C@H]1CCC[C@H](NCc2ncc(Cl)s2)C1 ZINC000225307001 134354454 /nfs/dbraw/zinc/35/44/54/134354454.db2.gz WQDUTDRPIGSICI-IUCAKERBSA-N 0 3 244.791 3.465 20 0 BGADHN CC(C)(C)CCNCc1ncc(Cl)s1 ZINC000225307654 134354229 /nfs/dbraw/zinc/35/42/29/134354229.db2.gz HVLNKXDHHSXARR-UHFFFAOYSA-N 0 3 232.780 3.322 20 0 BGADHN CC[C@@H](C)[C@@H](C)NCc1ncc(Cl)s1 ZINC000225329673 535644684 /nfs/dbraw/zinc/64/46/84/535644684.db2.gz NMMSLAHGBLBZQP-HTQZYQBOSA-N 0 3 232.780 3.321 20 0 BGADHN CC[C@H](C)[C@@H](C)NCc1ncc(Cl)s1 ZINC000225329709 134354578 /nfs/dbraw/zinc/35/45/78/134354578.db2.gz NMMSLAHGBLBZQP-JGVFFNPUSA-N 0 3 232.780 3.321 20 0 BGADHN CC[C@@H](C)[C@H](C)NCc1ncc(Cl)s1 ZINC000225329746 134354370 /nfs/dbraw/zinc/35/43/70/134354370.db2.gz NMMSLAHGBLBZQP-SFYZADRCSA-N 0 3 232.780 3.321 20 0 BGADHN CC[C@H](C)[C@H](C)NCc1ncc(Cl)s1 ZINC000225329782 134354301 /nfs/dbraw/zinc/35/43/01/134354301.db2.gz NMMSLAHGBLBZQP-YUMQZZPRSA-N 0 3 232.780 3.321 20 0 BGADHN CC[C@@H](NCc1ncc(Cl)s1)C(C)C ZINC000225329833 535806542 /nfs/dbraw/zinc/80/65/42/535806542.db2.gz WYLGXQKVOADPCJ-MRVPVSSYSA-N 0 3 232.780 3.321 20 0 BGADHN CC[C@H](NCc1ncc(Cl)s1)C(C)C ZINC000225329869 535921847 /nfs/dbraw/zinc/92/18/47/535921847.db2.gz WYLGXQKVOADPCJ-QMMMGPOBSA-N 0 3 232.780 3.321 20 0 BGADHN Clc1cnc(CNC(C2CC2)C2CC2)s1 ZINC000225331289 134354893 /nfs/dbraw/zinc/35/48/93/134354893.db2.gz HSAQDORGZNNONH-UHFFFAOYSA-N 0 3 242.775 3.075 20 0 BGADHN Clc1cnc(CNC[C@@H]2CC=CCC2)s1 ZINC000225331389 134354776 /nfs/dbraw/zinc/35/47/76/134354776.db2.gz FEXOBVOBUMJTRF-SECBINFHSA-N 0 3 242.775 3.242 20 0 BGADHN Clc1cnc(CNC[C@H]2CC=CCC2)s1 ZINC000225331425 134354957 /nfs/dbraw/zinc/35/49/57/134354957.db2.gz FEXOBVOBUMJTRF-VIFPVBQESA-N 0 3 242.775 3.242 20 0 BGADHN CCC(C)(C)NCc1ncc(Cl)s1 ZINC000225334405 345143471 /nfs/dbraw/zinc/14/34/71/345143471.db2.gz GQGNBHKPAHXYSE-UHFFFAOYSA-N 0 3 218.753 3.075 20 0 BGADHN CC1(NCc2ncc(Cl)s2)CCCC1 ZINC000225337134 535187797 /nfs/dbraw/zinc/18/77/97/535187797.db2.gz KFHYFMJZWSUJTO-UHFFFAOYSA-N 0 3 230.764 3.219 20 0 BGADHN CCC[C@@H](CC)NCc1ncc(Cl)s1 ZINC000225339906 134355072 /nfs/dbraw/zinc/35/50/72/134355072.db2.gz JIHSTZBJJRCMQS-MRVPVSSYSA-N 0 3 232.780 3.465 20 0 BGADHN CCC[C@H](CC)NCc1ncc(Cl)s1 ZINC000225339939 134354753 /nfs/dbraw/zinc/35/47/53/134354753.db2.gz JIHSTZBJJRCMQS-QMMMGPOBSA-N 0 3 232.780 3.465 20 0 BGADHN C[C@@H]1CCC[C@@H]1NCc1ncc(Cl)s1 ZINC000225341374 134354680 /nfs/dbraw/zinc/35/46/80/134354680.db2.gz BXYMZBQYHXYTED-SFYZADRCSA-N 0 3 230.764 3.075 20 0 BGADHN C[C@H]1CCC[C@@H]1NCc1ncc(Cl)s1 ZINC000225341408 134354767 /nfs/dbraw/zinc/35/47/67/134354767.db2.gz BXYMZBQYHXYTED-YUMQZZPRSA-N 0 3 230.764 3.075 20 0 BGADHN C[C@@H]1CCC[C@H]1NCc1ncc(Cl)s1 ZINC000225341444 134354749 /nfs/dbraw/zinc/35/47/49/134354749.db2.gz BXYMZBQYHXYTED-HTQZYQBOSA-N 0 3 230.764 3.075 20 0 BGADHN C[C@H]1CCC[C@H]1NCc1ncc(Cl)s1 ZINC000225341486 345145765 /nfs/dbraw/zinc/14/57/65/345145765.db2.gz BXYMZBQYHXYTED-JGVFFNPUSA-N 0 3 230.764 3.075 20 0 BGADHN CCC(CC)CNCc1ncc(Cl)s1 ZINC000225342035 538112159 /nfs/dbraw/zinc/11/21/59/538112159.db2.gz RUNJOADVUDLBAB-UHFFFAOYSA-N 0 3 232.780 3.322 20 0 BGADHN CC1(CNCc2ncc(Cl)s2)CCCC1 ZINC000225343140 363204480 /nfs/dbraw/zinc/20/44/80/363204480.db2.gz WKBSINTWCOFWEB-UHFFFAOYSA-N 0 3 244.791 3.466 20 0 BGADHN CCCC(C)(C)NCc1ncc(Cl)s1 ZINC000225343954 134354984 /nfs/dbraw/zinc/35/49/84/134354984.db2.gz YQELJMMNQUUCCH-UHFFFAOYSA-N 0 3 232.780 3.465 20 0 BGADHN C[C@@H](NCc1ncc(Cl)s1)C(C)(C)C ZINC000225344845 358240627 /nfs/dbraw/zinc/24/06/27/358240627.db2.gz DECGYZOZOVUPNF-SSDOTTSWSA-N 0 3 232.780 3.321 20 0 BGADHN C[C@H](NCc1ncc(Cl)s1)C(C)(C)C ZINC000225344880 711827827 /nfs/dbraw/zinc/82/78/27/711827827.db2.gz DECGYZOZOVUPNF-ZETCQYMHSA-N 0 3 232.780 3.321 20 0 BGADHN C[C@@H](CC1CC1)NCc1ncc(Cl)s1 ZINC000225345766 134355014 /nfs/dbraw/zinc/35/50/14/134355014.db2.gz IMPWWZDIQPPMIL-ZETCQYMHSA-N 0 3 230.764 3.075 20 0 BGADHN C[C@H](CC1CC1)NCc1ncc(Cl)s1 ZINC000225345802 134354854 /nfs/dbraw/zinc/35/48/54/134354854.db2.gz IMPWWZDIQPPMIL-SSDOTTSWSA-N 0 3 230.764 3.075 20 0 BGADHN CCC(C)(CC)NCc1ncc(Cl)s1 ZINC000225349625 134354656 /nfs/dbraw/zinc/35/46/56/134354656.db2.gz AXEJXPVGUHLKTF-UHFFFAOYSA-N 0 3 232.780 3.465 20 0 BGADHN CC(C)[C@@H](C)CNCc1ncc(Cl)s1 ZINC000225354668 388678350 /nfs/dbraw/zinc/67/83/50/388678350.db2.gz NTVNSESXSFJCRP-QMMMGPOBSA-N 0 3 232.780 3.178 20 0 BGADHN CC(C)[C@H](C)CNCc1ncc(Cl)s1 ZINC000225354701 388678742 /nfs/dbraw/zinc/67/87/42/388678742.db2.gz NTVNSESXSFJCRP-MRVPVSSYSA-N 0 3 232.780 3.178 20 0 BGADHN CC(C)(NCc1ncc(Cl)s1)C1CC1 ZINC000225356279 350359663 /nfs/dbraw/zinc/35/96/63/350359663.db2.gz NWIYCBLOANDHSV-UHFFFAOYSA-N 0 3 230.764 3.075 20 0 BGADHN CC1(C)CCC[C@@H]1NCc1ncc(Cl)s1 ZINC000225363590 134354891 /nfs/dbraw/zinc/35/48/91/134354891.db2.gz HUTABVYFOXQXBP-QMMMGPOBSA-N 0 3 244.791 3.465 20 0 BGADHN CC1(C)CCC[C@H]1NCc1ncc(Cl)s1 ZINC000225363623 535309085 /nfs/dbraw/zinc/30/90/85/535309085.db2.gz HUTABVYFOXQXBP-MRVPVSSYSA-N 0 3 244.791 3.465 20 0 BGADHN CCC1(CNCc2ncc(Cl)s2)CCC1 ZINC000225364087 535295749 /nfs/dbraw/zinc/29/57/49/535295749.db2.gz QYTAKHJVBDRLLL-UHFFFAOYSA-N 0 3 244.791 3.466 20 0 BGADHN CC(C)C[C@@H](C)NCc1ncc(Cl)s1 ZINC000225374557 134354624 /nfs/dbraw/zinc/35/46/24/134354624.db2.gz YKXRVKRSUDSSGI-MRVPVSSYSA-N 0 3 232.780 3.321 20 0 BGADHN CC(C)C[C@H](C)NCc1ncc(Cl)s1 ZINC000225374581 535299753 /nfs/dbraw/zinc/29/97/53/535299753.db2.gz YKXRVKRSUDSSGI-QMMMGPOBSA-N 0 3 232.780 3.321 20 0 BGADHN C[C@@H](NCc1ncc(Cl)s1)C1CCC1 ZINC000225376012 538112380 /nfs/dbraw/zinc/11/23/80/538112380.db2.gz POMYNPWINQUFNX-SSDOTTSWSA-N 0 3 230.764 3.075 20 0 BGADHN C[C@H](NCc1ncc(Cl)s1)C1CCC1 ZINC000225376041 538112523 /nfs/dbraw/zinc/11/25/23/538112523.db2.gz POMYNPWINQUFNX-ZETCQYMHSA-N 0 3 230.764 3.075 20 0 BGADHN CCc1ccc(CNCc2cccc(N)c2)s1 ZINC000225377327 488077414 /nfs/dbraw/zinc/07/74/14/488077414.db2.gz RXAYUQJXTZHYAG-UHFFFAOYSA-N 0 3 246.379 3.183 20 0 BGADHN CC1(C)CC[C@@H](NCc2ncc(Cl)s2)C1 ZINC000225379036 134354662 /nfs/dbraw/zinc/35/46/62/134354662.db2.gz NABXZPFWVUGBGH-MRVPVSSYSA-N 0 3 244.791 3.465 20 0 BGADHN CC1(C)CC[C@H](NCc2ncc(Cl)s2)C1 ZINC000225379060 134354982 /nfs/dbraw/zinc/35/49/82/134354982.db2.gz NABXZPFWVUGBGH-QMMMGPOBSA-N 0 3 244.791 3.465 20 0 BGADHN CCc1ccc(CNCc2cccc(O)c2)s1 ZINC000225586889 387943699 /nfs/dbraw/zinc/94/36/99/387943699.db2.gz ZSQDMQJBSISAIZ-UHFFFAOYSA-N 0 3 247.363 3.306 20 0 BGADHN CCc1ccc(CNCc2cccc(O)c2)cc1 ZINC000225588734 384879415 /nfs/dbraw/zinc/87/94/15/384879415.db2.gz PQWXGIDOJILKNZ-UHFFFAOYSA-N 0 3 241.334 3.244 20 0 BGADHN Clc1ccc(CNC2Cc3ccccc3C2)o1 ZINC000225608510 134354321 /nfs/dbraw/zinc/35/43/21/134354321.db2.gz OKWGFLGLXBJGCY-UHFFFAOYSA-N 0 3 247.725 3.190 20 0 BGADHN CC(C)C[C@@H](O)CNc1ccnc2ccccc21 ZINC000225732379 635415698 /nfs/dbraw/zinc/41/56/98/635415698.db2.gz OFBREKLBBJLLPX-GFCCVEGCSA-N 0 3 244.338 3.054 20 0 BGADHN CC(C)C[C@H](O)CNc1ccnc2ccccc21 ZINC000225732409 635416372 /nfs/dbraw/zinc/41/63/72/635416372.db2.gz OFBREKLBBJLLPX-LBPRGKRZSA-N 0 3 244.338 3.054 20 0 BGADHN c1ccc2c(c1)nccc2NCCOCC1CC1 ZINC000225735085 386215884 /nfs/dbraw/zinc/21/58/84/386215884.db2.gz OQBRAZREAJAIFG-UHFFFAOYSA-N 0 3 242.322 3.073 20 0 BGADHN C[C@@H](N[C@@H]1CC1(C)C)c1cccc(F)c1F ZINC000225774088 134357359 /nfs/dbraw/zinc/35/73/59/134357359.db2.gz WTOMCTTZVDTRKL-LDYMZIIASA-N 0 3 225.282 3.414 20 0 BGADHN C[C@H](N[C@@H]1CC1(C)C)c1cccc(F)c1F ZINC000225774105 134357495 /nfs/dbraw/zinc/35/74/95/134357495.db2.gz WTOMCTTZVDTRKL-GZMMTYOYSA-N 0 3 225.282 3.414 20 0 BGADHN C[C@@H](N[C@H]1CC1(C)C)c1cccc(F)c1F ZINC000225774124 134357172 /nfs/dbraw/zinc/35/71/72/134357172.db2.gz WTOMCTTZVDTRKL-KCJUWKMLSA-N 0 3 225.282 3.414 20 0 BGADHN C[C@H](N[C@H]1CC1(C)C)c1cccc(F)c1F ZINC000225774143 134357288 /nfs/dbraw/zinc/35/72/88/134357288.db2.gz WTOMCTTZVDTRKL-KWQFWETISA-N 0 3 225.282 3.414 20 0 BGADHN CC1(CNc2nc3ccc(F)cc3[nH]2)CCC1 ZINC000225819952 535158939 /nfs/dbraw/zinc/15/89/39/535158939.db2.gz LKIDMTSKAJAYSE-UHFFFAOYSA-N 0 3 233.290 3.304 20 0 BGADHN CCC(C)(CC)NCc1cc(OC)cc(C)n1 ZINC000225909744 350386579 /nfs/dbraw/zinc/38/65/79/350386579.db2.gz USMPJSFXVLABDL-UHFFFAOYSA-N 0 3 236.359 3.067 20 0 BGADHN CCC1(CNCc2cc(OC)cc(C)n2)CCC1 ZINC000225911585 134359909 /nfs/dbraw/zinc/35/99/09/134359909.db2.gz LQNXKGAATIPSDK-UHFFFAOYSA-N 0 3 248.370 3.069 20 0 BGADHN CCCC1(CNCc2cc(OC)cc(C)n2)CC1 ZINC000225911801 134359746 /nfs/dbraw/zinc/35/97/46/134359746.db2.gz JNVNTAQNUMCJKV-UHFFFAOYSA-N 0 3 248.370 3.069 20 0 BGADHN CC(C)CCCN[C@@H]1COCc2ccccc21 ZINC000225993145 134358104 /nfs/dbraw/zinc/35/81/04/134358104.db2.gz XOPCQUYGNRBCSX-OAHLLOKOSA-N 0 3 233.355 3.284 20 0 BGADHN CC(C)CCCN[C@H]1COCc2ccccc21 ZINC000225993154 134358106 /nfs/dbraw/zinc/35/81/06/134358106.db2.gz XOPCQUYGNRBCSX-HNNXBMFYSA-N 0 3 233.355 3.284 20 0 BGADHN CC1(C)CCN(Cc2ccc(F)cc2)CC1 ZINC000226004940 345751159 /nfs/dbraw/zinc/75/11/59/345751159.db2.gz JLPHDJNPTJXMTQ-UHFFFAOYSA-N 0 3 221.319 3.448 20 0 BGADHN C[C@@H]1CC[C@@H](NCc2cscn2)[C@@H](C)C1 ZINC000226170961 177356770 /nfs/dbraw/zinc/35/67/70/177356770.db2.gz SFCAROKPJMEBOG-JFGNBEQYSA-N 0 3 224.373 3.057 20 0 BGADHN C[C@@H]1CC[C@H](NCc2cscn2)[C@@H](C)C1 ZINC000226170973 177355847 /nfs/dbraw/zinc/35/58/47/177355847.db2.gz SFCAROKPJMEBOG-SCVCMEIPSA-N 0 3 224.373 3.057 20 0 BGADHN C[C@@H]1CC[C@@H](NCc2nccs2)[C@@H](C)C1 ZINC000226171753 177357228 /nfs/dbraw/zinc/35/72/28/177357228.db2.gz MMTVWVDNWJLEOR-OUAUKWLOSA-N 0 3 224.373 3.057 20 0 BGADHN C[C@@H]1CC[C@H](NCc2nccs2)[C@@H](C)C1 ZINC000226171765 177356364 /nfs/dbraw/zinc/35/63/64/177356364.db2.gz MMTVWVDNWJLEOR-VWYCJHECSA-N 0 3 224.373 3.057 20 0 BGADHN CCC[C@@](C)(O)CNc1ccnc2ccccc21 ZINC000226233960 134362242 /nfs/dbraw/zinc/36/22/42/134362242.db2.gz SHVDFQSLXBMBNE-OAHLLOKOSA-N 0 3 244.338 3.198 20 0 BGADHN CCC[C@](C)(O)CNc1ccnc2ccccc21 ZINC000226233966 134362263 /nfs/dbraw/zinc/36/22/63/134362263.db2.gz SHVDFQSLXBMBNE-HNNXBMFYSA-N 0 3 244.338 3.198 20 0 BGADHN CC(C)n1cc(CN[C@@H](C)c2ccccc2)cn1 ZINC000226238090 386240564 /nfs/dbraw/zinc/24/05/64/386240564.db2.gz QXPHBECZBCCKNP-ZDUSSCGKSA-N 0 3 243.354 3.315 20 0 BGADHN CC(C)n1cc(CN[C@H](C)c2ccccc2)cn1 ZINC000226238099 386241003 /nfs/dbraw/zinc/24/10/03/386241003.db2.gz QXPHBECZBCCKNP-CYBMUJFWSA-N 0 3 243.354 3.315 20 0 BGADHN Cc1ccccc1CNCc1cnn(C(C)C)c1 ZINC000226238660 179283252 /nfs/dbraw/zinc/28/32/52/179283252.db2.gz NXUJVDPQEIEXNT-UHFFFAOYSA-N 0 3 243.354 3.062 20 0 BGADHN Cc1ccc(CNCc2cnn(C(C)C)c2)s1 ZINC000226241294 386243187 /nfs/dbraw/zinc/24/31/87/386243187.db2.gz UMNPZEUBJNMONM-UHFFFAOYSA-N 0 3 249.383 3.124 20 0 BGADHN Cc1ccsc1CNCc1cnn(C(C)C)c1 ZINC000226242672 387947360 /nfs/dbraw/zinc/94/73/60/387947360.db2.gz KDSQDIFHICZEQM-UHFFFAOYSA-N 0 3 249.383 3.124 20 0 BGADHN CCC[C@@](C)(O)CNCc1cc2ccccc2o1 ZINC000226249577 386242955 /nfs/dbraw/zinc/24/29/55/386242955.db2.gz VURFOZLTPFSPEN-OAHLLOKOSA-N 0 3 247.338 3.074 20 0 BGADHN CCC[C@](C)(O)CNCc1cc2ccccc2o1 ZINC000226249586 386242690 /nfs/dbraw/zinc/24/26/90/386242690.db2.gz VURFOZLTPFSPEN-HNNXBMFYSA-N 0 3 247.338 3.074 20 0 BGADHN CC1(C)C[C@@H]1CNCc1c(F)cccc1F ZINC000226254430 134362191 /nfs/dbraw/zinc/36/21/91/134362191.db2.gz NYPNCJLAKLASBW-SECBINFHSA-N 0 3 225.282 3.101 20 0 BGADHN CC1(C)C[C@H]1CNCc1c(F)cccc1F ZINC000226254437 534918212 /nfs/dbraw/zinc/91/82/12/534918212.db2.gz NYPNCJLAKLASBW-VIFPVBQESA-N 0 3 225.282 3.101 20 0 BGADHN CC1(C)C[C@@H]1CNCc1ccccc1Cl ZINC000226255616 387305733 /nfs/dbraw/zinc/30/57/33/387305733.db2.gz FCQLNFUIHUNEPO-LLVKDONJSA-N 0 3 223.747 3.476 20 0 BGADHN CC1(C)C[C@H]1CNCc1ccccc1Cl ZINC000226255625 387300993 /nfs/dbraw/zinc/30/09/93/387300993.db2.gz FCQLNFUIHUNEPO-NSHDSACASA-N 0 3 223.747 3.476 20 0 BGADHN CC1(C)C[C@@H]1CNCc1ccc(F)cc1F ZINC000226256092 358336567 /nfs/dbraw/zinc/33/65/67/358336567.db2.gz WEUHWMQGVYKQEW-SNVBAGLBSA-N 0 3 225.282 3.101 20 0 BGADHN CC1(C)C[C@H]1CNCc1ccc(F)cc1F ZINC000226256098 358336349 /nfs/dbraw/zinc/33/63/49/358336349.db2.gz WEUHWMQGVYKQEW-JTQLQIEISA-N 0 3 225.282 3.101 20 0 BGADHN CC1(C)C[C@@H]1CNCc1cc(F)ccc1F ZINC000226256447 134362667 /nfs/dbraw/zinc/36/26/67/134362667.db2.gz ZOBFYBMSSOHJOC-SNVBAGLBSA-N 0 3 225.282 3.101 20 0 BGADHN CC1(C)C[C@H]1CNCc1cc(F)ccc1F ZINC000226256455 534917771 /nfs/dbraw/zinc/91/77/71/534917771.db2.gz ZOBFYBMSSOHJOC-JTQLQIEISA-N 0 3 225.282 3.101 20 0 BGADHN CC1(C)C[C@@H]1CNCc1ccc(Cl)o1 ZINC000226256886 134362599 /nfs/dbraw/zinc/36/25/99/134362599.db2.gz PKPGXKIJYSXEBC-MRVPVSSYSA-N 0 3 213.708 3.069 20 0 BGADHN CC1(C)C[C@H]1CNCc1ccc(Cl)o1 ZINC000226256892 534918338 /nfs/dbraw/zinc/91/83/38/534918338.db2.gz PKPGXKIJYSXEBC-QMMMGPOBSA-N 0 3 213.708 3.069 20 0 BGADHN CC1(C)C[C@@H]1CNCc1cccc(F)c1F ZINC000226257047 385006880 /nfs/dbraw/zinc/00/68/80/385006880.db2.gz SOHFZWRGIPESHW-SNVBAGLBSA-N 0 3 225.282 3.101 20 0 BGADHN CC1(C)C[C@H]1CNCc1cccc(F)c1F ZINC000226257053 385007360 /nfs/dbraw/zinc/00/73/60/385007360.db2.gz SOHFZWRGIPESHW-JTQLQIEISA-N 0 3 225.282 3.101 20 0 BGADHN CCCC[C@@H](CCC)Nc1cc(C)nc(N)n1 ZINC000226261629 635431876 /nfs/dbraw/zinc/43/18/76/635431876.db2.gz WZEVQARMQNISEK-LLVKDONJSA-N 0 3 236.363 3.138 20 0 BGADHN CCCC[C@H](CCC)Nc1cc(C)nc(N)n1 ZINC000226261639 635431157 /nfs/dbraw/zinc/43/11/57/635431157.db2.gz WZEVQARMQNISEK-NSHDSACASA-N 0 3 236.363 3.138 20 0 BGADHN CCCC[C@@H](CCC)NCc1nccn1CC ZINC000226269943 324794859 /nfs/dbraw/zinc/79/48/59/324794859.db2.gz KPFUCEKHHWQUCD-CYBMUJFWSA-N 0 3 237.391 3.352 20 0 BGADHN CCCC[C@H](CCC)NCc1nccn1CC ZINC000226269954 388732637 /nfs/dbraw/zinc/73/26/37/388732637.db2.gz KPFUCEKHHWQUCD-ZDUSSCGKSA-N 0 3 237.391 3.352 20 0 BGADHN c1nc2c(s1)CN(CC1CCCCC1)CC2 ZINC000226299345 345751307 /nfs/dbraw/zinc/75/13/07/345751307.db2.gz WDXRFOJXWHBNFS-UHFFFAOYSA-N 0 3 236.384 3.082 20 0 BGADHN CC(C)(C)c1csc(CNCC2(C)CC2)n1 ZINC000226379226 358338582 /nfs/dbraw/zinc/33/85/82/358338582.db2.gz BHGOLMHAMDLAOS-UHFFFAOYSA-N 0 3 238.400 3.330 20 0 BGADHN CCC[C@@](C)(O)CNCc1cc(Cl)cs1 ZINC000226380761 535547266 /nfs/dbraw/zinc/54/72/66/535547266.db2.gz AFNAXTLBYMTKDK-LLVKDONJSA-N 0 3 247.791 3.042 20 0 BGADHN CCC[C@](C)(O)CNCc1cc(Cl)cs1 ZINC000226380767 134364801 /nfs/dbraw/zinc/36/48/01/134364801.db2.gz AFNAXTLBYMTKDK-NSHDSACASA-N 0 3 247.791 3.042 20 0 BGADHN C[C@@]1(NCc2cc(Cl)cs2)CCCOC1 ZINC000226386826 134365320 /nfs/dbraw/zinc/36/53/20/134365320.db2.gz UAGKMJOIDHPWDO-LLVKDONJSA-N 0 3 245.775 3.060 20 0 BGADHN C[C@]1(NCc2cc(Cl)cs2)CCCOC1 ZINC000226386829 134365299 /nfs/dbraw/zinc/36/52/99/134365299.db2.gz UAGKMJOIDHPWDO-NSHDSACASA-N 0 3 245.775 3.060 20 0 BGADHN C[C@@H]1OCC[C@@]1(C)NCc1cc(Cl)cs1 ZINC000226387262 134365008 /nfs/dbraw/zinc/36/50/08/134365008.db2.gz UFKCPKLRWWLPAV-GZMMTYOYSA-N 0 3 245.775 3.059 20 0 BGADHN C[C@H]1OCC[C@@]1(C)NCc1cc(Cl)cs1 ZINC000226387265 134365189 /nfs/dbraw/zinc/36/51/89/134365189.db2.gz UFKCPKLRWWLPAV-LDYMZIIASA-N 0 3 245.775 3.059 20 0 BGADHN C[C@@H]1OCC[C@]1(C)NCc1cc(Cl)cs1 ZINC000226387269 134365034 /nfs/dbraw/zinc/36/50/34/134365034.db2.gz UFKCPKLRWWLPAV-KWQFWETISA-N 0 3 245.775 3.059 20 0 BGADHN C[C@H]1OCC[C@]1(C)NCc1cc(Cl)cs1 ZINC000226387272 134365219 /nfs/dbraw/zinc/36/52/19/134365219.db2.gz UFKCPKLRWWLPAV-KCJUWKMLSA-N 0 3 245.775 3.059 20 0 BGADHN CC(C)=CCNCc1ccc2cnccc2c1 ZINC000226388629 538116017 /nfs/dbraw/zinc/11/60/17/538116017.db2.gz GLIAMFSVBVQOPZ-UHFFFAOYSA-N 0 3 226.323 3.291 20 0 BGADHN CO[C@@H]1CCC[C@@H](N[C@@H](C)c2ccc(C)o2)C1 ZINC000226541886 538116627 /nfs/dbraw/zinc/11/66/27/538116627.db2.gz RKHSXFUHWCTGAH-YNEHKIRRSA-N 0 3 237.343 3.196 20 0 BGADHN CO[C@@H]1CCC[C@H](N[C@@H](C)c2ccc(C)o2)C1 ZINC000226541892 538116723 /nfs/dbraw/zinc/11/67/23/538116723.db2.gz RKHSXFUHWCTGAH-RWMBFGLXSA-N 0 3 237.343 3.196 20 0 BGADHN CC[C@@H](N[C@@H]1CCSC1)c1ccccc1F ZINC000226619585 350443568 /nfs/dbraw/zinc/44/35/68/350443568.db2.gz FJZDPLLFOOONMD-ZWNOBZJWSA-N 0 3 239.359 3.372 20 0 BGADHN CC[C@H](N[C@@H]1CCSC1)c1ccccc1F ZINC000226619590 386348235 /nfs/dbraw/zinc/34/82/35/386348235.db2.gz FJZDPLLFOOONMD-MFKMUULPSA-N 0 3 239.359 3.372 20 0 BGADHN CC[C@@H](N[C@H]1CCSC1)c1ccccc1F ZINC000226619596 350443412 /nfs/dbraw/zinc/44/34/12/350443412.db2.gz FJZDPLLFOOONMD-GXFFZTMASA-N 0 3 239.359 3.372 20 0 BGADHN CC[C@H](N[C@H]1CCSC1)c1ccccc1F ZINC000226619600 386347638 /nfs/dbraw/zinc/34/76/38/386347638.db2.gz FJZDPLLFOOONMD-GWCFXTLKSA-N 0 3 239.359 3.372 20 0 BGADHN CC[C@@H](NCC1(C)CC1)c1ccc(F)cn1 ZINC000226620052 535803088 /nfs/dbraw/zinc/80/30/88/535803088.db2.gz KSKVIURZUORJRX-LLVKDONJSA-N 0 3 222.307 3.062 20 0 BGADHN CC[C@H](NCC1(C)CC1)c1ccc(F)cn1 ZINC000226620058 134368183 /nfs/dbraw/zinc/36/81/83/134368183.db2.gz KSKVIURZUORJRX-NSHDSACASA-N 0 3 222.307 3.062 20 0 BGADHN CC[C@@H](NCC1(CC)CC1)c1ccc(F)cn1 ZINC000226620257 535803100 /nfs/dbraw/zinc/80/31/00/535803100.db2.gz VZMNKVABZZSRHH-GFCCVEGCSA-N 0 3 236.334 3.452 20 0 BGADHN CC[C@H](NCC1(CC)CC1)c1ccc(F)cn1 ZINC000226620264 535897716 /nfs/dbraw/zinc/89/77/16/535897716.db2.gz VZMNKVABZZSRHH-LBPRGKRZSA-N 0 3 236.334 3.452 20 0 BGADHN CC[C@@H](NCC1(C)CCC1)c1ccc(F)cn1 ZINC000226620368 535803116 /nfs/dbraw/zinc/80/31/16/535803116.db2.gz RKVUIRYIDXGSMP-GFCCVEGCSA-N 0 3 236.334 3.452 20 0 BGADHN CC[C@H](NCC1(C)CCC1)c1ccc(F)cn1 ZINC000226620374 535897889 /nfs/dbraw/zinc/89/78/89/535897889.db2.gz RKVUIRYIDXGSMP-LBPRGKRZSA-N 0 3 236.334 3.452 20 0 BGADHN CC[C@@H](NCC1(C2CC2)CC1)c1ccc(F)cn1 ZINC000226636996 535803043 /nfs/dbraw/zinc/80/30/43/535803043.db2.gz LNDAXZMZHGZQAQ-CYBMUJFWSA-N 0 3 248.345 3.452 20 0 BGADHN CC[C@H](NCC1(C2CC2)CC1)c1ccc(F)cn1 ZINC000226637001 535896932 /nfs/dbraw/zinc/89/69/32/535896932.db2.gz LNDAXZMZHGZQAQ-ZDUSSCGKSA-N 0 3 248.345 3.452 20 0 BGADHN CC(C)CNCc1csc(C(C)(C)C)n1 ZINC000226645053 167010172 /nfs/dbraw/zinc/01/01/72/167010172.db2.gz OVDHPEDICHEZCM-UHFFFAOYSA-N 0 3 226.389 3.186 20 0 BGADHN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NCc1cnccn1 ZINC000226684606 388726440 /nfs/dbraw/zinc/72/64/40/388726440.db2.gz SOJFCHVJYSRCKX-SNPRPXQTSA-N 0 3 247.386 3.027 20 0 BGADHN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NCc1cnccn1 ZINC000226684612 388726450 /nfs/dbraw/zinc/72/64/50/388726450.db2.gz SOJFCHVJYSRCKX-YUELXQCFSA-N 0 3 247.386 3.027 20 0 BGADHN CC(C)(O)C(C)(C)NCc1cc2ccccc2o1 ZINC000226743489 535273748 /nfs/dbraw/zinc/27/37/48/535273748.db2.gz RURGWXJTQPIKIG-UHFFFAOYSA-N 0 3 247.338 3.072 20 0 BGADHN CCC1(CNCc2cc(F)c(F)c(F)c2)CC1 ZINC000226784001 134368962 /nfs/dbraw/zinc/36/89/62/134368962.db2.gz IZQRBVHZIKQXFS-UHFFFAOYSA-N 0 3 243.272 3.384 20 0 BGADHN CC1(CNCc2cc(F)c(F)c(F)c2)CCC1 ZINC000226786429 535151144 /nfs/dbraw/zinc/15/11/44/535151144.db2.gz SZOHZERWYPDOTP-UHFFFAOYSA-N 0 3 243.272 3.384 20 0 BGADHN Cc1ccsc1CN[C@@H]1CCc2cccnc21 ZINC000226824733 640795890 /nfs/dbraw/zinc/79/58/90/640795890.db2.gz WAGSSBQNHNNEKR-GFCCVEGCSA-N 0 3 244.363 3.229 20 0 BGADHN Cc1ccsc1CN[C@H]1CCc2cccnc21 ZINC000226824739 640795917 /nfs/dbraw/zinc/79/59/17/640795917.db2.gz WAGSSBQNHNNEKR-LBPRGKRZSA-N 0 3 244.363 3.229 20 0 BGADHN C[C@@H](NCC[C@@H]1CCC[C@@H](C)C1)c1cnccn1 ZINC000226856805 134370098 /nfs/dbraw/zinc/37/00/98/134370098.db2.gz FGPDSRSJGVGRGF-MCIONIFRSA-N 0 3 247.386 3.344 20 0 BGADHN C[C@@H](NCC[C@H]1CCC[C@@H](C)C1)c1cnccn1 ZINC000226856816 134369769 /nfs/dbraw/zinc/36/97/69/134369769.db2.gz FGPDSRSJGVGRGF-MGPQQGTHSA-N 0 3 247.386 3.344 20 0 BGADHN C[C@@H](NCC[C@@H]1CCC[C@@H](C)C1)c1nccn1C ZINC000226862045 134370263 /nfs/dbraw/zinc/37/02/63/134370263.db2.gz GVTGZJRNGSOPHX-MCIONIFRSA-N 0 3 249.402 3.287 20 0 BGADHN C[C@@H](NCC[C@H]1CCC[C@@H](C)C1)c1nccn1C ZINC000226862056 134370226 /nfs/dbraw/zinc/37/02/26/134370226.db2.gz GVTGZJRNGSOPHX-MGPQQGTHSA-N 0 3 249.402 3.287 20 0 BGADHN Cc1csc(CN[C@@H]2CCC[C@@H](C)[C@H]2C)n1 ZINC000226902697 134371776 /nfs/dbraw/zinc/37/17/76/134371776.db2.gz YDMVZUUSIGNLNM-YUSALJHKSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1csc(CN[C@@H]2CCC[C@H](C)[C@H]2C)n1 ZINC000226902702 134371633 /nfs/dbraw/zinc/37/16/33/134371633.db2.gz YDMVZUUSIGNLNM-MVWJERBFSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1csc(CN[C@@H]2C[C@H](C)CC[C@H]2C)n1 ZINC000227031988 134373663 /nfs/dbraw/zinc/37/36/63/134373663.db2.gz GQUORJSUUJQOFK-CKYFFXLPSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1csc(CN[C@@H]2C[C@@H](C)CC[C@H]2C)n1 ZINC000227031999 134373573 /nfs/dbraw/zinc/37/35/73/134373573.db2.gz GQUORJSUUJQOFK-HOSYDEDBSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1nc(CN[C@@H]2C[C@H](C)CC[C@H]2C)cs1 ZINC000227032816 488196249 /nfs/dbraw/zinc/19/62/49/488196249.db2.gz VHHQQNBWCVSMMF-GIPNMCIBSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1nc(CN[C@@H]2C[C@@H](C)CC[C@H]2C)cs1 ZINC000227032825 488196228 /nfs/dbraw/zinc/19/62/28/488196228.db2.gz VHHQQNBWCVSMMF-OPQQBVKSSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1cc([C@H](C)NC[C@@H]2CC[C@@H](C)O2)c(C)o1 ZINC000227048407 134374319 /nfs/dbraw/zinc/37/43/19/134374319.db2.gz DYIGBNQWUOJUTR-CDMKHQONSA-N 0 3 237.343 3.115 20 0 BGADHN Cc1cc([C@H](C)NC[C@H]2CC[C@@H](C)O2)c(C)o1 ZINC000227048421 134374159 /nfs/dbraw/zinc/37/41/59/134374159.db2.gz DYIGBNQWUOJUTR-SUZMYJTESA-N 0 3 237.343 3.115 20 0 BGADHN C[C@@H](N[C@@H]1CCC[C@@H](C)C1)c1nccs1 ZINC000227099284 176124625 /nfs/dbraw/zinc/12/46/25/176124625.db2.gz JUXXIVHUSHZHRT-GMTAPVOTSA-N 0 3 224.373 3.372 20 0 BGADHN C[C@@H](N[C@H]1CCC[C@@H](C)C1)c1nccs1 ZINC000227099290 176145290 /nfs/dbraw/zinc/14/52/90/176145290.db2.gz JUXXIVHUSHZHRT-MXWKQRLJSA-N 0 3 224.373 3.372 20 0 BGADHN c1ccc(C2CC2)c(CNCCOCC2CC2)c1 ZINC000227125396 491055325 /nfs/dbraw/zinc/05/53/25/491055325.db2.gz PMUHMRHPYNKHJI-UHFFFAOYSA-N 0 3 245.366 3.080 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H]2CC[C@@H](C)C2)o1 ZINC000227191012 388742974 /nfs/dbraw/zinc/74/29/74/388742974.db2.gz CGGZQZSVEIWVBK-ADEWGFFLSA-N 0 3 207.317 3.427 20 0 BGADHN Cc1ccc([C@H](C)N[C@H]2CC[C@@H](C)C2)o1 ZINC000227191027 388743696 /nfs/dbraw/zinc/74/36/96/388743696.db2.gz CGGZQZSVEIWVBK-USWWRNFRSA-N 0 3 207.317 3.427 20 0 BGADHN CC[C@H](N[C@@H]1CC[C@@H](C)C1)c1nccs1 ZINC000227205074 535940947 /nfs/dbraw/zinc/94/09/47/535940947.db2.gz MGZQZTPXSPINSS-MXWKQRLJSA-N 0 3 224.373 3.372 20 0 BGADHN CC[C@H](N[C@H]1CC[C@@H](C)C1)c1nccs1 ZINC000227205084 134375989 /nfs/dbraw/zinc/37/59/89/134375989.db2.gz MGZQZTPXSPINSS-VWYCJHECSA-N 0 3 224.373 3.372 20 0 BGADHN Cc1csc([C@H](C)N[C@@H]2CC[C@@H](C)C2)n1 ZINC000227205139 134376173 /nfs/dbraw/zinc/37/61/73/134376173.db2.gz JLTCLXQGSSGBAD-DVVUODLYSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1csc([C@H](C)N[C@H]2CC[C@@H](C)C2)n1 ZINC000227205155 134376145 /nfs/dbraw/zinc/37/61/45/134376145.db2.gz JLTCLXQGSSGBAD-MIMYLULJSA-N 0 3 224.373 3.291 20 0 BGADHN CCC(C)(CC)NCc1nn(C)c2ccccc12 ZINC000227218348 371803531 /nfs/dbraw/zinc/80/35/31/371803531.db2.gz VRJVBDCCNNDMAH-UHFFFAOYSA-N 0 3 245.370 3.242 20 0 BGADHN Cc1ccc(F)c(CNCCc2ccccc2)c1 ZINC000227281019 388746582 /nfs/dbraw/zinc/74/65/82/388746582.db2.gz GJUBLTWDOFXHEH-UHFFFAOYSA-N 0 3 243.325 3.466 20 0 BGADHN Cc1ccc(F)c(CNCCCOC(C)C)c1 ZINC000227281288 134379770 /nfs/dbraw/zinc/37/97/70/134379770.db2.gz DSVPHMHPNGEDDZ-UHFFFAOYSA-N 0 3 239.334 3.039 20 0 BGADHN Cc1ccc(F)c(CNCCc2ccco2)c1 ZINC000227281368 134379874 /nfs/dbraw/zinc/37/98/74/134379874.db2.gz OXOSPRWLRIHMGB-UHFFFAOYSA-N 0 3 233.286 3.059 20 0 BGADHN Cc1ccc(F)c(CN[C@@H]2CC2(C)C)c1 ZINC000227285019 134379773 /nfs/dbraw/zinc/37/97/73/134379773.db2.gz JVGXPABOPIMHPA-GFCCVEGCSA-N 0 3 207.292 3.022 20 0 BGADHN Cc1ccc(F)c(CN[C@H]2CC2(C)C)c1 ZINC000227285026 134379995 /nfs/dbraw/zinc/37/99/95/134379995.db2.gz JVGXPABOPIMHPA-LBPRGKRZSA-N 0 3 207.292 3.022 20 0 BGADHN Cc1ccc(F)c(CNCC(C)(C)C)c1 ZINC000227285364 386474541 /nfs/dbraw/zinc/47/45/41/386474541.db2.gz CSUHJOILXVDULA-UHFFFAOYSA-N 0 3 209.308 3.270 20 0 BGADHN CCCCOCCNCc1cc(C)ccc1F ZINC000227285899 134379688 /nfs/dbraw/zinc/37/96/88/134379688.db2.gz CFYJELHTUOPDOK-UHFFFAOYSA-N 0 3 239.334 3.040 20 0 BGADHN Cc1ccc(F)c(CNC2CCSCC2)c1 ZINC000227287110 386472939 /nfs/dbraw/zinc/47/29/39/386472939.db2.gz JDVFNLWZISJZCW-UHFFFAOYSA-N 0 3 239.359 3.119 20 0 BGADHN COC1(CNc2ccnc3ccccc32)CCC1 ZINC000227306096 174006060 /nfs/dbraw/zinc/00/60/60/174006060.db2.gz HVFOQWXKBRDIOS-UHFFFAOYSA-N 0 3 242.322 3.216 20 0 BGADHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCC[C@@H](C)CC2)n1 ZINC000227308822 134377520 /nfs/dbraw/zinc/37/75/20/134377520.db2.gz FQSPBEVQVWCICK-DGCLKSJQSA-N 0 3 248.370 3.154 20 0 BGADHN Cc1ccc([O-])c(C[NH2+][C@H]2CCC[C@@H](C)CC2)n1 ZINC000227308831 134377544 /nfs/dbraw/zinc/37/75/44/134377544.db2.gz FQSPBEVQVWCICK-YPMHNXCESA-N 0 3 248.370 3.154 20 0 BGADHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCC[C@H](C)CC2)n1 ZINC000227308840 134377565 /nfs/dbraw/zinc/37/75/65/134377565.db2.gz FQSPBEVQVWCICK-WCQYABFASA-N 0 3 248.370 3.154 20 0 BGADHN Cc1ccc([O-])c(C[NH2+][C@H]2CCC[C@H](C)CC2)n1 ZINC000227308849 134377535 /nfs/dbraw/zinc/37/75/35/134377535.db2.gz FQSPBEVQVWCICK-AAEUAGOBSA-N 0 3 248.370 3.154 20 0 BGADHN Cc1nccnc1[C@@H](C)N[C@@H]1CCCC(C)(C)C1 ZINC000227310588 180281439 /nfs/dbraw/zinc/28/14/39/180281439.db2.gz WITNUTUTXBTMFV-CHWSQXEVSA-N 0 3 247.386 3.404 20 0 BGADHN Cc1nccnc1[C@H](C)N[C@@H]1CCCC(C)(C)C1 ZINC000227310596 180283946 /nfs/dbraw/zinc/28/39/46/180283946.db2.gz WITNUTUTXBTMFV-QWHCGFSZSA-N 0 3 247.386 3.404 20 0 BGADHN Cc1nccnc1[C@@H](C)N[C@H]1CCCC(C)(C)C1 ZINC000227310603 180282197 /nfs/dbraw/zinc/28/21/97/180282197.db2.gz WITNUTUTXBTMFV-OLZOCXBDSA-N 0 3 247.386 3.404 20 0 BGADHN Cc1nccnc1[C@H](C)N[C@H]1CCCC(C)(C)C1 ZINC000227310610 180284104 /nfs/dbraw/zinc/28/41/04/180284104.db2.gz WITNUTUTXBTMFV-STQMWFEESA-N 0 3 247.386 3.404 20 0 BGADHN C[C@@H](N[C@@H]1CCC[C@@H](C)CC1)c1nccn1C ZINC000227310663 322811810 /nfs/dbraw/zinc/81/18/10/322811810.db2.gz PJRJSVBADHLEIF-JHJVBQTASA-N 0 3 235.375 3.040 20 0 BGADHN C[C@@H](N[C@H]1CCC[C@@H](C)CC1)c1nccn1C ZINC000227310667 388747104 /nfs/dbraw/zinc/74/71/04/388747104.db2.gz PJRJSVBADHLEIF-UPJWGTAASA-N 0 3 235.375 3.040 20 0 BGADHN C[C@@H](N[C@@H]1CCC[C@@H](C)CC1)c1cnccn1 ZINC000227310967 134377461 /nfs/dbraw/zinc/37/74/61/134377461.db2.gz AINIEEQHJZTQAM-JHJVBQTASA-N 0 3 233.359 3.096 20 0 BGADHN C[C@@H](N[C@H]1CCC[C@@H](C)CC1)c1cnccn1 ZINC000227310972 134377552 /nfs/dbraw/zinc/37/75/52/134377552.db2.gz AINIEEQHJZTQAM-UPJWGTAASA-N 0 3 233.359 3.096 20 0 BGADHN CC(C)(O)C(C)(C)NCc1ccc(Cl)s1 ZINC000227344395 388748560 /nfs/dbraw/zinc/74/85/60/388748560.db2.gz HOGKWUJIZPNERQ-UHFFFAOYSA-N 0 3 247.791 3.041 20 0 BGADHN Cc1cccc([C@H](C)NC/C=C/Cl)c1 ZINC000227349263 640828771 /nfs/dbraw/zinc/82/87/71/640828771.db2.gz UOPPSZFSQGILTK-ZPMKCOPCSA-N 0 3 209.720 3.398 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CNC[C@@]2(C)CCCO2)o1 ZINC000227471084 134384463 /nfs/dbraw/zinc/38/44/63/134384463.db2.gz HXMBYJVRNCUQMJ-OSAQELSMSA-N 0 3 249.354 3.062 20 0 BGADHN C[C@@H]1C[C@H]1c1ccc(CNC[C@@]2(C)CCCO2)o1 ZINC000227471094 134383927 /nfs/dbraw/zinc/38/39/27/134383927.db2.gz HXMBYJVRNCUQMJ-UXIGCNINSA-N 0 3 249.354 3.062 20 0 BGADHN CC(C)CCNC(C)(C)c1nccs1 ZINC000227633968 387056686 /nfs/dbraw/zinc/05/66/86/387056686.db2.gz KOSDYWZAFSIBSD-UHFFFAOYSA-N 0 3 212.362 3.014 20 0 BGADHN c1oc2ccccc2c1CN[C@@H]1CCSC1 ZINC000227762329 386510353 /nfs/dbraw/zinc/51/03/53/386510353.db2.gz WKHYMOSYOWQDKJ-LLVKDONJSA-N 0 3 233.336 3.028 20 0 BGADHN c1oc2ccccc2c1CN[C@H]1CCSC1 ZINC000227762336 386512350 /nfs/dbraw/zinc/51/23/50/386512350.db2.gz WKHYMOSYOWQDKJ-NSHDSACASA-N 0 3 233.336 3.028 20 0 BGADHN CCC1(CNCc2cccc3c2OCO3)CCC1 ZINC000227762405 535294524 /nfs/dbraw/zinc/29/45/24/535294524.db2.gz VMHXQWNQXGCLDO-UHFFFAOYSA-N 0 3 247.338 3.085 20 0 BGADHN CCc1ccc(CNCC=C(C)C)cc1 ZINC000227771609 388758780 /nfs/dbraw/zinc/75/87/80/388758780.db2.gz GGXVSIATONANIZ-UHFFFAOYSA-N 0 3 203.329 3.305 20 0 BGADHN CCc1ccc(CNC/C=C/Cl)cc1 ZINC000227772037 640848288 /nfs/dbraw/zinc/84/82/88/640848288.db2.gz ZSJZFKHIODGSSQ-FPYGCLRLSA-N 0 3 209.720 3.091 20 0 BGADHN C[C@@H](NC/C=C/Cl)c1cccc(F)c1 ZINC000227772799 640848694 /nfs/dbraw/zinc/84/86/94/640848694.db2.gz GPUXLHOGTGQDNO-BSPAPZMXSA-N 0 3 213.683 3.229 20 0 BGADHN C[C@H](NC/C=C/Cl)c1cccc(F)c1 ZINC000227772803 640848649 /nfs/dbraw/zinc/84/86/49/640848649.db2.gz GPUXLHOGTGQDNO-SWTNXBIASA-N 0 3 213.683 3.229 20 0 BGADHN Cc1ccc([C@H](C)NC2C[C@H](C)O[C@@H](C)C2)o1 ZINC000227781029 134394630 /nfs/dbraw/zinc/39/46/30/134394630.db2.gz XCFQGKVAWWMBIQ-SRVKXCTJSA-N 0 3 237.343 3.195 20 0 BGADHN CC(C)C1(CNCc2ccc(F)cc2F)CC1 ZINC000227832202 388786019 /nfs/dbraw/zinc/78/60/19/388786019.db2.gz KUARJGBYLOOLHF-UHFFFAOYSA-N 0 3 239.309 3.491 20 0 BGADHN CC(C)C1(CNCc2c(F)cccc2F)CC1 ZINC000227832786 134389787 /nfs/dbraw/zinc/38/97/87/134389787.db2.gz ZKPOQPNRBXODBE-UHFFFAOYSA-N 0 3 239.309 3.491 20 0 BGADHN CC(C)C1(CNCc2cc(F)ccc2F)CC1 ZINC000227832879 134389961 /nfs/dbraw/zinc/38/99/61/134389961.db2.gz AMQZLHUWNPTDAV-UHFFFAOYSA-N 0 3 239.309 3.491 20 0 BGADHN CC(C)C1(CNCc2cccc(F)c2F)CC1 ZINC000227833456 346540056 /nfs/dbraw/zinc/54/00/56/346540056.db2.gz YNKVXAIAODUJLF-UHFFFAOYSA-N 0 3 239.309 3.491 20 0 BGADHN CSC1(CNCc2ccc(Cl)o2)CCC1 ZINC000227946718 134399801 /nfs/dbraw/zinc/39/98/01/134399801.db2.gz DYUALOONYBGBQP-UHFFFAOYSA-N 0 3 245.775 3.308 20 0 BGADHN CSC1(CNCc2cc(C)ccc2F)CC1 ZINC000227951126 386521618 /nfs/dbraw/zinc/52/16/18/386521618.db2.gz JYLVORXTNMWFJJ-UHFFFAOYSA-N 0 3 239.359 3.119 20 0 BGADHN Cc1cnc(CN[C@@H]2CCC[C@@H](C)[C@H]2C)s1 ZINC000227966098 134395756 /nfs/dbraw/zinc/39/57/56/134395756.db2.gz IXCFVUILXYPKFI-YUSALJHKSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1cnc(CN[C@@H]2CCC[C@H](C)[C@H]2C)s1 ZINC000227966107 134395537 /nfs/dbraw/zinc/39/55/37/134395537.db2.gz IXCFVUILXYPKFI-MVWJERBFSA-N 0 3 238.400 3.366 20 0 BGADHN CO[C@@H](C)CN[C@@H](C)c1ccc(Cl)c(F)c1 ZINC000227985939 397798976 /nfs/dbraw/zinc/79/89/76/397798976.db2.gz BWHRWSCGWVFGDI-IUCAKERBSA-N 0 3 245.725 3.165 20 0 BGADHN CO[C@H](C)CN[C@@H](C)c1ccc(Cl)c(F)c1 ZINC000227985949 323099980 /nfs/dbraw/zinc/09/99/80/323099980.db2.gz BWHRWSCGWVFGDI-BDAKNGLRSA-N 0 3 245.725 3.165 20 0 BGADHN CO[C@@H](C)CN[C@H](C)c1ccc(Cl)c(F)c1 ZINC000227985958 397799061 /nfs/dbraw/zinc/79/90/61/397799061.db2.gz BWHRWSCGWVFGDI-DTWKUNHWSA-N 0 3 245.725 3.165 20 0 BGADHN CO[C@H](C)CN[C@H](C)c1ccc(Cl)c(F)c1 ZINC000227985968 397799076 /nfs/dbraw/zinc/79/90/76/397799076.db2.gz BWHRWSCGWVFGDI-RKDXNWHRSA-N 0 3 245.725 3.165 20 0 BGADHN Cc1cc(NCCC[C@@H](C)O)c2ccccc2n1 ZINC000227996452 178159406 /nfs/dbraw/zinc/15/94/06/178159406.db2.gz VJGRTCFKODMSFW-GFCCVEGCSA-N 0 3 244.338 3.116 20 0 BGADHN Cc1cc(NCCC[C@H](C)O)c2ccccc2n1 ZINC000227996462 178160304 /nfs/dbraw/zinc/16/03/04/178160304.db2.gz VJGRTCFKODMSFW-LBPRGKRZSA-N 0 3 244.338 3.116 20 0 BGADHN CSC1(CN[C@@H](C)c2cncs2)CCC1 ZINC000228017045 388765854 /nfs/dbraw/zinc/76/58/54/388765854.db2.gz WFNRFKQXLSUOIS-VIFPVBQESA-N 0 3 242.413 3.079 20 0 BGADHN CSC1(CN[C@H](C)c2cncs2)CCC1 ZINC000228017057 388765649 /nfs/dbraw/zinc/76/56/49/388765649.db2.gz WFNRFKQXLSUOIS-SECBINFHSA-N 0 3 242.413 3.079 20 0 BGADHN CSC1(CN[C@@H](C)c2cc(C)oc2C)CC1 ZINC000228023886 386532684 /nfs/dbraw/zinc/53/26/84/386532684.db2.gz FZKOXFZEAYJZGK-JTQLQIEISA-N 0 3 239.384 3.443 20 0 BGADHN CSC1(CN[C@H](C)c2cc(C)oc2C)CC1 ZINC000228023899 386533048 /nfs/dbraw/zinc/53/30/48/386533048.db2.gz FZKOXFZEAYJZGK-SNVBAGLBSA-N 0 3 239.384 3.443 20 0 BGADHN C[C@@H](O)CCCN[C@@H](C)c1ccccc1Cl ZINC000228027349 176845489 /nfs/dbraw/zinc/84/54/89/176845489.db2.gz XKUJWQVWOMBLGS-MNOVXSKESA-N 0 3 241.762 3.152 20 0 BGADHN C[C@H](O)CCCN[C@@H](C)c1ccccc1Cl ZINC000228027364 176955155 /nfs/dbraw/zinc/95/51/55/176955155.db2.gz XKUJWQVWOMBLGS-QWRGUYRKSA-N 0 3 241.762 3.152 20 0 BGADHN C[C@@H](O)CCCN[C@H](C)c1ccccc1Cl ZINC000228027377 386533252 /nfs/dbraw/zinc/53/32/52/386533252.db2.gz XKUJWQVWOMBLGS-GHMZBOCLSA-N 0 3 241.762 3.152 20 0 BGADHN C[C@@H](NCCC[C@H](C)O)c1ccccc1Cl ZINC000228027393 386532254 /nfs/dbraw/zinc/53/22/54/386532254.db2.gz XKUJWQVWOMBLGS-WDEREUQCSA-N 0 3 241.762 3.152 20 0 BGADHN CC[C@@H](NCCC[C@@H](C)O)c1ccccc1F ZINC000228027998 387060364 /nfs/dbraw/zinc/06/03/64/387060364.db2.gz YPFNCMSLKLVNSA-BXUZGUMPSA-N 0 3 239.334 3.027 20 0 BGADHN CC[C@H](NCCC[C@@H](C)O)c1ccccc1F ZINC000228028012 387060172 /nfs/dbraw/zinc/06/01/72/387060172.db2.gz YPFNCMSLKLVNSA-RISCZKNCSA-N 0 3 239.334 3.027 20 0 BGADHN CC[C@@H](NCCC[C@H](C)O)c1ccccc1F ZINC000228028023 387060212 /nfs/dbraw/zinc/06/02/12/387060212.db2.gz YPFNCMSLKLVNSA-SMDDNHRTSA-N 0 3 239.334 3.027 20 0 BGADHN CC[C@H](NCCC[C@H](C)O)c1ccccc1F ZINC000228028036 350524904 /nfs/dbraw/zinc/52/49/04/350524904.db2.gz YPFNCMSLKLVNSA-FZMZJTMJSA-N 0 3 239.334 3.027 20 0 BGADHN C[C@@H](O)CCCN[C@@H](C)c1csc(Cl)c1 ZINC000228033336 388765685 /nfs/dbraw/zinc/76/56/85/388765685.db2.gz BVEZKGMONQDODK-BDAKNGLRSA-N 0 3 247.791 3.213 20 0 BGADHN C[C@H](O)CCCN[C@@H](C)c1csc(Cl)c1 ZINC000228033347 388765558 /nfs/dbraw/zinc/76/55/58/388765558.db2.gz BVEZKGMONQDODK-IUCAKERBSA-N 0 3 247.791 3.213 20 0 BGADHN C[C@@H](O)CCCN[C@H](C)c1csc(Cl)c1 ZINC000228033358 388765393 /nfs/dbraw/zinc/76/53/93/388765393.db2.gz BVEZKGMONQDODK-RKDXNWHRSA-N 0 3 247.791 3.213 20 0 BGADHN C[C@@H](NCCC[C@H](C)O)c1csc(Cl)c1 ZINC000228033370 176955828 /nfs/dbraw/zinc/95/58/28/176955828.db2.gz BVEZKGMONQDODK-DTWKUNHWSA-N 0 3 247.791 3.213 20 0 BGADHN C[C@@H](O)CCCN[C@@H](C)c1cc2ccccc2o1 ZINC000228036240 386535748 /nfs/dbraw/zinc/53/57/48/386535748.db2.gz HPGZCWTVWNFSKB-NEPJUHHUSA-N 0 3 247.338 3.244 20 0 BGADHN C[C@H](O)CCCN[C@@H](C)c1cc2ccccc2o1 ZINC000228036252 386535594 /nfs/dbraw/zinc/53/55/94/386535594.db2.gz HPGZCWTVWNFSKB-RYUDHWBXSA-N 0 3 247.338 3.244 20 0 BGADHN C[C@@H](O)CCCN[C@H](C)c1cc2ccccc2o1 ZINC000228036266 386534660 /nfs/dbraw/zinc/53/46/60/386534660.db2.gz HPGZCWTVWNFSKB-VXGBXAGGSA-N 0 3 247.338 3.244 20 0 BGADHN C[C@@H](NCCC[C@H](C)O)c1cc2ccccc2o1 ZINC000228036277 386534533 /nfs/dbraw/zinc/53/45/33/386534533.db2.gz HPGZCWTVWNFSKB-NWDGAFQWSA-N 0 3 247.338 3.244 20 0 BGADHN C[C@@H](O)CCCN[C@@H](C)c1ccc(Cl)s1 ZINC000228038231 388765272 /nfs/dbraw/zinc/76/52/72/388765272.db2.gz AZLQEJXAHJLXIF-BDAKNGLRSA-N 0 3 247.791 3.213 20 0 BGADHN C[C@H](O)CCCN[C@@H](C)c1ccc(Cl)s1 ZINC000228038240 388765582 /nfs/dbraw/zinc/76/55/82/388765582.db2.gz AZLQEJXAHJLXIF-IUCAKERBSA-N 0 3 247.791 3.213 20 0 BGADHN C[C@@H](O)CCCN[C@H](C)c1ccc(Cl)s1 ZINC000228038249 388766244 /nfs/dbraw/zinc/76/62/44/388766244.db2.gz AZLQEJXAHJLXIF-RKDXNWHRSA-N 0 3 247.791 3.213 20 0 BGADHN C[C@@H](NCCC[C@H](C)O)c1ccc(Cl)s1 ZINC000228038262 388765826 /nfs/dbraw/zinc/76/58/26/388765826.db2.gz AZLQEJXAHJLXIF-DTWKUNHWSA-N 0 3 247.791 3.213 20 0 BGADHN CC[C@H](N[C@@H](C)C[C@@H](C)O)c1ccccc1F ZINC000228078956 387065671 /nfs/dbraw/zinc/06/56/71/387065671.db2.gz DMMMHTPRIHLXIC-WDMOLILDSA-N 0 3 239.334 3.026 20 0 BGADHN CC[C@H](N[C@H](C)C[C@@H](C)O)c1ccccc1F ZINC000228078972 387065727 /nfs/dbraw/zinc/06/57/27/387065727.db2.gz DMMMHTPRIHLXIC-GYSYKLTISA-N 0 3 239.334 3.026 20 0 BGADHN C[C@H](C[C@H](C)O)N[C@@H](C)c1cc2ccccc2o1 ZINC000228082237 387065951 /nfs/dbraw/zinc/06/59/51/387065951.db2.gz HBIKLJUQWCDWAH-WOPDTQHZSA-N 0 3 247.338 3.243 20 0 BGADHN C[C@H](O)C[C@H](C)N[C@@H](C)c1cc2ccccc2o1 ZINC000228082251 134401805 /nfs/dbraw/zinc/40/18/05/134401805.db2.gz HBIKLJUQWCDWAH-SRVKXCTJSA-N 0 3 247.338 3.243 20 0 BGADHN CCC(C)(CC)NCc1ccncc1Cl ZINC000228124519 491085482 /nfs/dbraw/zinc/08/54/82/491085482.db2.gz JLUKSCOBORUMEE-UHFFFAOYSA-N 0 3 226.751 3.403 20 0 BGADHN C[C@@H](NC/C(Cl)=C\Cl)C(C)(C)C ZINC000228224680 640866312 /nfs/dbraw/zinc/86/63/12/640866312.db2.gz ZUVHXJFQMRGUFD-KBUNYLKBSA-N 0 3 210.148 3.330 20 0 BGADHN C[C@@H](NC[C@@H]1C[C@@H]1C)c1ccc(F)cc1F ZINC000228325940 259376356 /nfs/dbraw/zinc/37/63/56/259376356.db2.gz BSDJJMPAFJJTIG-AEJSXWLSSA-N 0 3 225.282 3.271 20 0 BGADHN C[C@@H](NC[C@H]1C[C@@H]1C)c1ccc(F)cc1F ZINC000228325948 259376277 /nfs/dbraw/zinc/37/62/77/259376277.db2.gz BSDJJMPAFJJTIG-IVZWLZJFSA-N 0 3 225.282 3.271 20 0 BGADHN Cc1cc(CNCCCCc2ccccc2)on1 ZINC000228438781 487643230 /nfs/dbraw/zinc/64/32/30/487643230.db2.gz LGQRVDWPOGPXAF-UHFFFAOYSA-N 0 3 244.338 3.096 20 0 BGADHN CC(C)OCCCCNCc1ccccc1F ZINC000228564808 167206822 /nfs/dbraw/zinc/20/68/22/167206822.db2.gz UJDQQBQEFXONOB-UHFFFAOYSA-N 0 3 239.334 3.121 20 0 BGADHN [O-]c1ccc(C[NH2+]CCC2=CCCC2)cc1F ZINC000228568060 640881548 /nfs/dbraw/zinc/88/15/48/640881548.db2.gz XHAOMEVKVYQUIW-UHFFFAOYSA-N 0 3 235.302 3.121 20 0 BGADHN c1ccc2c(c1)nccc2NC[C@@H]1CCSC1 ZINC000228581541 386588922 /nfs/dbraw/zinc/58/89/22/386588922.db2.gz VKXMVPOKDHWAKD-NSHDSACASA-N 0 3 244.363 3.400 20 0 BGADHN c1ccc2c(c1)nccc2NC[C@H]1CCSC1 ZINC000228581546 386589801 /nfs/dbraw/zinc/58/98/01/386589801.db2.gz VKXMVPOKDHWAKD-LLVKDONJSA-N 0 3 244.363 3.400 20 0 BGADHN CC(C)n1cncc1CNCCC1=CCCC1 ZINC000228588501 387094930 /nfs/dbraw/zinc/09/49/30/387094930.db2.gz BYWVGAWPIWRSQW-UHFFFAOYSA-N 0 3 233.359 3.054 20 0 BGADHN CCC(C)(C)NCc1ccc(OC)cc1F ZINC000228595152 358380640 /nfs/dbraw/zinc/38/06/40/358380640.db2.gz GBHCQIVVPRVBMK-UHFFFAOYSA-N 0 3 225.307 3.113 20 0 BGADHN COc1ccc(CNC2(C)CCCC2)c(F)c1 ZINC000228596620 358380906 /nfs/dbraw/zinc/38/09/06/358380906.db2.gz GNICIEZHRUYAQG-UHFFFAOYSA-N 0 3 237.318 3.257 20 0 BGADHN COc1ccc(CN[C@@H]2CC=CCC2)c(F)c1 ZINC000228599138 358380948 /nfs/dbraw/zinc/38/09/48/358380948.db2.gz XXZUHCIMWQCFPG-GFCCVEGCSA-N 0 3 235.302 3.033 20 0 BGADHN COc1ccc(CN[C@H]2CC=CCC2)c(F)c1 ZINC000228599145 358380995 /nfs/dbraw/zinc/38/09/95/358380995.db2.gz XXZUHCIMWQCFPG-LBPRGKRZSA-N 0 3 235.302 3.033 20 0 BGADHN CCC1(NCc2ccc(OC)cc2F)CCC1 ZINC000228601443 358381793 /nfs/dbraw/zinc/38/17/93/358381793.db2.gz FJMULSCQBPQTTM-UHFFFAOYSA-N 0 3 237.318 3.257 20 0 BGADHN Cc1ccc(CNCc2ccncc2C)cc1F ZINC000228654203 323311892 /nfs/dbraw/zinc/31/18/92/323311892.db2.gz QWTUUBNDZLJIFT-UHFFFAOYSA-N 0 3 244.313 3.127 20 0 BGADHN Cc1cnccc1CN[C@@H]1CCc2ccccc21 ZINC000228656347 386597465 /nfs/dbraw/zinc/59/74/65/386597465.db2.gz DLNMMJMCCQXNGD-MRXNPFEDSA-N 0 3 238.334 3.167 20 0 BGADHN Cc1cnccc1CNCc1ccc(F)c(C)c1 ZINC000228657166 178026259 /nfs/dbraw/zinc/02/62/59/178026259.db2.gz SANMZLMVYBQWRH-UHFFFAOYSA-N 0 3 244.313 3.127 20 0 BGADHN CCc1ccccc1CNCc1ccncc1C ZINC000228661650 386598213 /nfs/dbraw/zinc/59/82/13/386598213.db2.gz LUEUNQSCRHBPCB-UHFFFAOYSA-N 0 3 240.350 3.242 20 0 BGADHN COc1ccc(CNCCC2=CCCC2)c(F)c1 ZINC000228672951 323365775 /nfs/dbraw/zinc/36/57/75/323365775.db2.gz BEFXTQPCIQXIPB-UHFFFAOYSA-N 0 3 249.329 3.424 20 0 BGADHN Cc1nc(CNCCC2=CCCC2)sc1C ZINC000228675416 640888972 /nfs/dbraw/zinc/88/89/72/640888972.db2.gz SCCSONHIUNQAIZ-UHFFFAOYSA-N 0 3 236.384 3.350 20 0 BGADHN Clc1cnccc1CNCCC1=CCCC1 ZINC000228676772 388818063 /nfs/dbraw/zinc/81/80/63/388818063.db2.gz VUUVYSDPJVUDOJ-UHFFFAOYSA-N 0 3 236.746 3.325 20 0 BGADHN Cc1ccc(F)c(CNCC2(C3CC3)CC2)c1 ZINC000228719434 387121422 /nfs/dbraw/zinc/12/14/22/387121422.db2.gz ZIIJFLFOADNZFW-UHFFFAOYSA-N 0 3 233.330 3.414 20 0 BGADHN Fc1cccc(CNCC2(C3CC3)CC2)c1F ZINC000228719570 323087909 /nfs/dbraw/zinc/08/79/09/323087909.db2.gz KRFSMKMBWTYPKQ-UHFFFAOYSA-N 0 3 237.293 3.245 20 0 BGADHN [O-]c1cc(F)cc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)c1 ZINC000228750673 387124741 /nfs/dbraw/zinc/12/47/41/387124741.db2.gz FAYJRGQMQHVHOZ-SWLSCSKDSA-N 0 3 249.329 3.296 20 0 BGADHN [O-]c1cc(F)cc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)c1 ZINC000228750673 387124737 /nfs/dbraw/zinc/12/47/37/387124737.db2.gz FAYJRGQMQHVHOZ-SWLSCSKDSA-N 0 3 249.329 3.296 20 0 BGADHN [O-]c1cc(F)cc(C[N@H+]2CCC[C@H]3CCC[C@H]32)c1 ZINC000228750687 387123691 /nfs/dbraw/zinc/12/36/91/387123691.db2.gz FAYJRGQMQHVHOZ-IUODEOHRSA-N 0 3 249.329 3.296 20 0 BGADHN [O-]c1cc(F)cc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)c1 ZINC000228750687 387123687 /nfs/dbraw/zinc/12/36/87/387123687.db2.gz FAYJRGQMQHVHOZ-IUODEOHRSA-N 0 3 249.329 3.296 20 0 BGADHN C[C@@H](NC1CC(c2ccccc2)C1)c1cn[nH]c1 ZINC000228831540 386623199 /nfs/dbraw/zinc/62/31/99/386623199.db2.gz UQYXQRDMDABYMI-NUYPLMSZSA-N 0 3 241.338 3.007 20 0 BGADHN C[C@H](NC1CC(c2ccccc2)C1)c1cn[nH]c1 ZINC000228831551 386623322 /nfs/dbraw/zinc/62/33/22/386623322.db2.gz UQYXQRDMDABYMI-ZOODHJKOSA-N 0 3 241.338 3.007 20 0 BGADHN CC1(NCc2ccc(Br)o2)CCC1 ZINC000228836233 168062276 /nfs/dbraw/zinc/06/22/76/168062276.db2.gz CCOZRVSOPHFCKX-UHFFFAOYSA-N 0 3 244.132 3.074 20 0 BGADHN CC(C)=CCNCc1ccc2cc[nH]c2c1 ZINC000228836589 324927640 /nfs/dbraw/zinc/92/76/40/324927640.db2.gz XDXXUHXZKHTBBZ-UHFFFAOYSA-N 0 3 214.312 3.224 20 0 BGADHN CC(C)=CCNCc1ccc2[nH]ccc2c1 ZINC000228842892 358386302 /nfs/dbraw/zinc/38/63/02/358386302.db2.gz MJXQBHAGKBQTSU-UHFFFAOYSA-N 0 3 214.312 3.224 20 0 BGADHN CC(C)=CCN[C@@H]1CCCc2ccc(O)cc21 ZINC000228843508 535371068 /nfs/dbraw/zinc/37/10/68/535371068.db2.gz WDPOOUKKIMCUEX-OAHLLOKOSA-N 0 3 231.339 3.325 20 0 BGADHN CC(C)=CCN[C@H]1CCCc2ccc(O)cc21 ZINC000228843517 387133811 /nfs/dbraw/zinc/13/38/11/387133811.db2.gz WDPOOUKKIMCUEX-HNNXBMFYSA-N 0 3 231.339 3.325 20 0 BGADHN CC(C)(C)c1csc(CNC2(C)CCC2)n1 ZINC000228853525 640899932 /nfs/dbraw/zinc/89/99/32/640899932.db2.gz HYHRMNYKCJQKHH-UHFFFAOYSA-N 0 3 238.400 3.473 20 0 BGADHN CC(C)=CCN[C@@H]1CCCc2cccnc21 ZINC000228861577 491107234 /nfs/dbraw/zinc/10/72/34/491107234.db2.gz IJMDRQOFRGMJBF-CYBMUJFWSA-N 0 3 216.328 3.015 20 0 BGADHN CC(C)=CCN[C@H]1CCCc2cccnc21 ZINC000228861588 491107265 /nfs/dbraw/zinc/10/72/65/491107265.db2.gz IJMDRQOFRGMJBF-ZDUSSCGKSA-N 0 3 216.328 3.015 20 0 BGADHN C[C@@H](N[C@@H]1CC[C@@H](C)C1)c1ccc(F)cn1 ZINC000228911396 387126848 /nfs/dbraw/zinc/12/68/48/387126848.db2.gz RZHGTYBNJNMBRA-CKYFFXLPSA-N 0 3 222.307 3.060 20 0 BGADHN C[C@@H](N[C@H]1CC[C@@H](C)C1)c1ccc(F)cn1 ZINC000228911413 387126863 /nfs/dbraw/zinc/12/68/63/387126863.db2.gz RZHGTYBNJNMBRA-FOGDFJRCSA-N 0 3 222.307 3.060 20 0 BGADHN Cc1nc(CNCCC2CCC2)sc1C ZINC000229097630 643254347 /nfs/dbraw/zinc/25/43/47/643254347.db2.gz MVBSEGXWRIFJPU-UHFFFAOYSA-N 0 3 224.373 3.040 20 0 BGADHN CCCC[C@@H](C)N[C@@H](C)c1cscn1 ZINC000229127444 358345771 /nfs/dbraw/zinc/34/57/71/358345771.db2.gz FTWCZVGQDMQTQD-ZJUUUORDSA-N 0 3 212.362 3.372 20 0 BGADHN CCCC[C@H](C)N[C@@H](C)c1cscn1 ZINC000229127453 358346077 /nfs/dbraw/zinc/34/60/77/358346077.db2.gz FTWCZVGQDMQTQD-UWVGGRQHSA-N 0 3 212.362 3.372 20 0 BGADHN CCCC[C@@H](C)N[C@H](C)c1cscn1 ZINC000229127462 358346070 /nfs/dbraw/zinc/34/60/70/358346070.db2.gz FTWCZVGQDMQTQD-NXEZZACHSA-N 0 3 212.362 3.372 20 0 BGADHN CCCC[C@H](C)N[C@H](C)c1cscn1 ZINC000229127470 358345864 /nfs/dbraw/zinc/34/58/64/358345864.db2.gz FTWCZVGQDMQTQD-VHSXEESVSA-N 0 3 212.362 3.372 20 0 BGADHN C[C@@H](NCC1C(C)(C)C1(C)C)c1cscn1 ZINC000229130945 388833754 /nfs/dbraw/zinc/83/37/54/388833754.db2.gz FIAIQNVGKKNQBL-SECBINFHSA-N 0 3 238.400 3.476 20 0 BGADHN C[C@H](NCC1C(C)(C)C1(C)C)c1cscn1 ZINC000229130952 388833030 /nfs/dbraw/zinc/83/30/30/388833030.db2.gz FIAIQNVGKKNQBL-VIFPVBQESA-N 0 3 238.400 3.476 20 0 BGADHN Fc1ccc(Cl)cc1CN[C@@H]1CCSC1 ZINC000229197097 388782304 /nfs/dbraw/zinc/78/23/04/388782304.db2.gz BHERFMPDDMYFDC-SNVBAGLBSA-N 0 3 245.750 3.074 20 0 BGADHN Fc1ccc(Cl)cc1CN[C@H]1CCSC1 ZINC000229197112 388781222 /nfs/dbraw/zinc/78/12/22/388781222.db2.gz BHERFMPDDMYFDC-JTQLQIEISA-N 0 3 245.750 3.074 20 0 BGADHN CC1(CNCc2cc(Cl)ccc2F)CC1 ZINC000229197685 388781471 /nfs/dbraw/zinc/78/14/71/388781471.db2.gz VQJYHZAWINBNFA-UHFFFAOYSA-N 0 3 227.710 3.369 20 0 BGADHN c1ccc(CNC[C@@H]2CCC3(CCCC3)O2)cc1 ZINC000229263847 487899879 /nfs/dbraw/zinc/89/98/79/487899879.db2.gz ATYVWFZVCWYPIS-HNNXBMFYSA-N 0 3 245.366 3.268 20 0 BGADHN c1ccc(CNC[C@H]2CCC3(CCCC3)O2)cc1 ZINC000229263860 487899967 /nfs/dbraw/zinc/89/99/67/487899967.db2.gz ATYVWFZVCWYPIS-OAHLLOKOSA-N 0 3 245.366 3.268 20 0 BGADHN c1coc(CNC[C@@H]2CCC3(CCCCC3)O2)c1 ZINC000229269160 385592686 /nfs/dbraw/zinc/59/26/86/385592686.db2.gz XFKUQLNEJFLGOQ-AWEZNQCLSA-N 0 3 249.354 3.251 20 0 BGADHN c1coc(CNC[C@H]2CCC3(CCCCC3)O2)c1 ZINC000229269171 385593268 /nfs/dbraw/zinc/59/32/68/385593268.db2.gz XFKUQLNEJFLGOQ-CQSZACIVSA-N 0 3 249.354 3.251 20 0 BGADHN C[C@@H](NC[C@@H]1CCC2(CCCC2)O1)c1ccco1 ZINC000229272502 491109782 /nfs/dbraw/zinc/10/97/82/491109782.db2.gz UNTGLCVQUMLEBV-OLZOCXBDSA-N 0 3 249.354 3.422 20 0 BGADHN C[C@H](NC[C@@H]1CCC2(CCCC2)O1)c1ccco1 ZINC000229272515 491109786 /nfs/dbraw/zinc/10/97/86/491109786.db2.gz UNTGLCVQUMLEBV-STQMWFEESA-N 0 3 249.354 3.422 20 0 BGADHN C[C@@H](NC[C@H]1CCC2(CCCC2)O1)c1ccco1 ZINC000229272524 491109789 /nfs/dbraw/zinc/10/97/89/491109789.db2.gz UNTGLCVQUMLEBV-CHWSQXEVSA-N 0 3 249.354 3.422 20 0 BGADHN C[C@H](NC[C@H]1CCC2(CCCC2)O1)c1ccco1 ZINC000229272535 491109778 /nfs/dbraw/zinc/10/97/78/491109778.db2.gz UNTGLCVQUMLEBV-QWHCGFSZSA-N 0 3 249.354 3.422 20 0 BGADHN Cc1ccc(CNC[C@@H]2CCC3(CCCC3)O2)o1 ZINC000229286750 487901439 /nfs/dbraw/zinc/90/14/39/487901439.db2.gz JKKBOAJTBZDNCS-AWEZNQCLSA-N 0 3 249.354 3.169 20 0 BGADHN Cc1ccc(CNC[C@H]2CCC3(CCCC3)O2)o1 ZINC000229286760 487901418 /nfs/dbraw/zinc/90/14/18/487901418.db2.gz JKKBOAJTBZDNCS-CQSZACIVSA-N 0 3 249.354 3.169 20 0 BGADHN c1cc(CNC[C@@H]2CCC3(CCCCC3)O2)co1 ZINC000229312117 640945233 /nfs/dbraw/zinc/94/52/33/640945233.db2.gz JTWTWBLUIQYWKA-AWEZNQCLSA-N 0 3 249.354 3.251 20 0 BGADHN c1cc(CNC[C@H]2CCC3(CCCCC3)O2)co1 ZINC000229312132 640945144 /nfs/dbraw/zinc/94/51/44/640945144.db2.gz JTWTWBLUIQYWKA-CQSZACIVSA-N 0 3 249.354 3.251 20 0 BGADHN C[C@H](NCc1cscn1)[C@@H]1CCC[C@@H](C)C1 ZINC000229324216 388786061 /nfs/dbraw/zinc/78/60/61/388786061.db2.gz NZRWFLYZWQYPPL-GRYCIOLGSA-N 0 3 238.400 3.448 20 0 BGADHN C[C@H](NCc1cscn1)[C@H]1CCC[C@@H](C)C1 ZINC000229324229 388786143 /nfs/dbraw/zinc/78/61/43/388786143.db2.gz NZRWFLYZWQYPPL-WOPDTQHZSA-N 0 3 238.400 3.448 20 0 BGADHN CO[C@@H](C)[C@@H](C)N[C@H](C)c1ccc(Cl)cc1 ZINC000229383082 385606388 /nfs/dbraw/zinc/60/63/88/385606388.db2.gz CWZRSMFXJUFTTK-MXWKQRLJSA-N 0 3 241.762 3.414 20 0 BGADHN CO[C@@H](C)[C@@H](C)N[C@H](C)c1cccc(Cl)c1 ZINC000229383233 385607122 /nfs/dbraw/zinc/60/71/22/385607122.db2.gz RJPUEAQVWUJILM-MXWKQRLJSA-N 0 3 241.762 3.414 20 0 BGADHN CO[C@@H](C)[C@@H](C)N[C@H](C)c1ccccc1Cl ZINC000229383371 385606821 /nfs/dbraw/zinc/60/68/21/385606821.db2.gz GIUIOUAVLNZLDZ-MXWKQRLJSA-N 0 3 241.762 3.414 20 0 BGADHN Cc1ccoc1CNC1C(C)(C)C1(C)C ZINC000229478636 388790416 /nfs/dbraw/zinc/79/04/16/388790416.db2.gz ISBXADQMTDCVLO-UHFFFAOYSA-N 0 3 207.317 3.112 20 0 BGADHN CCC1(NCc2cnc3ccccc3n2)CCC1 ZINC000229482809 490347399 /nfs/dbraw/zinc/34/73/99/490347399.db2.gz YRBBNODMDHEWMX-UHFFFAOYSA-N 0 3 241.338 3.052 20 0 BGADHN CCC1(NCc2ccncc2Cl)CCC1 ZINC000229491847 324959882 /nfs/dbraw/zinc/95/98/82/324959882.db2.gz MTRJVGSLNGXYOE-UHFFFAOYSA-N 0 3 224.735 3.157 20 0 BGADHN CCCC[C@@H](CC)CN1CCC(=O)[C@@H](C)C1 ZINC000229508317 388791707 /nfs/dbraw/zinc/79/17/07/388791707.db2.gz FKQRMMWOEFWHQS-QWHCGFSZSA-N 0 3 225.376 3.114 20 0 BGADHN CCCC[C@H](CC)CN1CCC(=O)[C@@H](C)C1 ZINC000229508329 388792373 /nfs/dbraw/zinc/79/23/73/388792373.db2.gz FKQRMMWOEFWHQS-STQMWFEESA-N 0 3 225.376 3.114 20 0 BGADHN CSCCCCCNCc1occc1C ZINC000229517743 388791844 /nfs/dbraw/zinc/79/18/44/388791844.db2.gz ZUQLGSXAQJZCEX-UHFFFAOYSA-N 0 3 227.373 3.211 20 0 BGADHN CSCCCCCNCc1ccc(C)cn1 ZINC000229518812 387175806 /nfs/dbraw/zinc/17/58/06/387175806.db2.gz LQYXQWDCTDUIEH-UHFFFAOYSA-N 0 3 238.400 3.013 20 0 BGADHN CC(C)C(CNCc1nccs1)C(C)C ZINC000229531965 388793386 /nfs/dbraw/zinc/79/33/86/388793386.db2.gz MFLCXVQWTMZEEO-UHFFFAOYSA-N 0 3 226.389 3.161 20 0 BGADHN C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](Cc2ccc([O-])cc2)C1 ZINC000229554111 491115353 /nfs/dbraw/zinc/11/53/53/491115353.db2.gz TXAXOVRCFQVQNK-JHJVBQTASA-N 0 3 233.355 3.259 20 0 BGADHN C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](Cc2ccc([O-])cc2)C1 ZINC000229554111 491115351 /nfs/dbraw/zinc/11/53/51/491115351.db2.gz TXAXOVRCFQVQNK-JHJVBQTASA-N 0 3 233.355 3.259 20 0 BGADHN C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](Cc2ccc([O-])cc2)C1 ZINC000229554128 491115398 /nfs/dbraw/zinc/11/53/98/491115398.db2.gz TXAXOVRCFQVQNK-FRRDWIJNSA-N 0 3 233.355 3.259 20 0 BGADHN C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](Cc2ccc([O-])cc2)C1 ZINC000229554128 491115396 /nfs/dbraw/zinc/11/53/96/491115396.db2.gz TXAXOVRCFQVQNK-FRRDWIJNSA-N 0 3 233.355 3.259 20 0 BGADHN C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](Cc2cccc([O-])c2)C1 ZINC000229554516 387177556 /nfs/dbraw/zinc/17/75/56/387177556.db2.gz ROJITRPVVMRMMQ-JHJVBQTASA-N 0 3 233.355 3.259 20 0 BGADHN C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](Cc2cccc([O-])c2)C1 ZINC000229554516 387177550 /nfs/dbraw/zinc/17/75/50/387177550.db2.gz ROJITRPVVMRMMQ-JHJVBQTASA-N 0 3 233.355 3.259 20 0 BGADHN C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](Cc2cccc([O-])c2)C1 ZINC000229554535 387179122 /nfs/dbraw/zinc/17/91/22/387179122.db2.gz ROJITRPVVMRMMQ-FRRDWIJNSA-N 0 3 233.355 3.259 20 0 BGADHN C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](Cc2cccc([O-])c2)C1 ZINC000229554535 387179117 /nfs/dbraw/zinc/17/91/17/387179117.db2.gz ROJITRPVVMRMMQ-FRRDWIJNSA-N 0 3 233.355 3.259 20 0 BGADHN CC(C)c1ccc(CN2CC[C@@H](O)[C@@H](C)C2)cc1 ZINC000229578512 387183902 /nfs/dbraw/zinc/18/39/02/387183902.db2.gz HUOYTYBTPRBTAN-XJKSGUPXSA-N 0 3 247.382 3.013 20 0 BGADHN CSCCCCCN[C@@H](C)c1cncs1 ZINC000229581831 388795446 /nfs/dbraw/zinc/79/54/46/388795446.db2.gz QOSZVWDWEOOCBZ-JTQLQIEISA-N 0 3 244.429 3.327 20 0 BGADHN CSCCCCCN[C@H](C)c1cncs1 ZINC000229581839 388794781 /nfs/dbraw/zinc/79/47/81/388794781.db2.gz QOSZVWDWEOOCBZ-SNVBAGLBSA-N 0 3 244.429 3.327 20 0 BGADHN CSCCCCCN[C@@H](C)c1cscn1 ZINC000229582170 388794711 /nfs/dbraw/zinc/79/47/11/388794711.db2.gz HDSFVWJAVVALKL-JTQLQIEISA-N 0 3 244.429 3.327 20 0 BGADHN CSCCCCCN[C@H](C)c1cscn1 ZINC000229582177 175474753 /nfs/dbraw/zinc/47/47/53/175474753.db2.gz HDSFVWJAVVALKL-SNVBAGLBSA-N 0 3 244.429 3.327 20 0 BGADHN CC1(CNCc2nccs2)CCCCC1 ZINC000229586791 491116409 /nfs/dbraw/zinc/11/64/09/491116409.db2.gz ATZNKGNMDYFSEK-UHFFFAOYSA-N 0 3 224.373 3.203 20 0 BGADHN CC1(CNCc2cscn2)CCCCC1 ZINC000229587032 168044116 /nfs/dbraw/zinc/04/41/16/168044116.db2.gz PTUHCXNPGLFBQQ-UHFFFAOYSA-N 0 3 224.373 3.203 20 0 BGADHN CC1(CNCc2ccco2)CCCCC1 ZINC000229587224 535153209 /nfs/dbraw/zinc/15/32/09/535153209.db2.gz MQKQHNDIBMJVQU-UHFFFAOYSA-N 0 3 207.317 3.340 20 0 BGADHN Cc1noc(C)c1CNCC1(C)CCCCC1 ZINC000229587759 387184314 /nfs/dbraw/zinc/18/43/14/387184314.db2.gz CKRFRUSCJTYAMS-UHFFFAOYSA-N 0 3 236.359 3.351 20 0 BGADHN CC1(CNCc2ccccn2)CCCCC1 ZINC000229588095 168043939 /nfs/dbraw/zinc/04/39/39/168043939.db2.gz JLQXTMZLVBAHPV-UHFFFAOYSA-N 0 3 218.344 3.142 20 0 BGADHN COCc1cccc(CN[C@@H]2C=CCCC2)c1 ZINC000229588816 134460342 /nfs/dbraw/zinc/46/03/42/134460342.db2.gz KATRQDBDFMPFOV-OAHLLOKOSA-N 0 3 231.339 3.031 20 0 BGADHN COCc1cccc(CN[C@H]2C=CCCC2)c1 ZINC000229588830 387184288 /nfs/dbraw/zinc/18/42/88/387184288.db2.gz KATRQDBDFMPFOV-HNNXBMFYSA-N 0 3 231.339 3.031 20 0 BGADHN CCc1cnc(CN[C@@H]2CCC[C@@H](C)[C@@H]2C)o1 ZINC000229592079 358404300 /nfs/dbraw/zinc/40/43/00/358404300.db2.gz CPYKFIKTPQFZNN-NTZNESFSSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1cnc(CN[C@@H]2CCC[C@H](C)[C@@H]2C)o1 ZINC000229592098 358404655 /nfs/dbraw/zinc/40/46/55/358404655.db2.gz CPYKFIKTPQFZNN-GMXVVIOVSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1cnc(CN[C@@H]2CCCC[C@@H]2CC)o1 ZINC000229592996 358404422 /nfs/dbraw/zinc/40/44/22/358404422.db2.gz ZDVCOZBTYFURCU-WCQYABFASA-N 0 3 236.359 3.295 20 0 BGADHN CCc1cnc(CN[C@H]2CCCC[C@@H]2CC)o1 ZINC000229593007 358404277 /nfs/dbraw/zinc/40/42/77/358404277.db2.gz ZDVCOZBTYFURCU-AAEUAGOBSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1cnc(CN[C@@H]2CCCC[C@H]2CC)o1 ZINC000229593016 358404355 /nfs/dbraw/zinc/40/43/55/358404355.db2.gz ZDVCOZBTYFURCU-DGCLKSJQSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1cnc(CN[C@H]2CCCC[C@H]2CC)o1 ZINC000229593023 358404404 /nfs/dbraw/zinc/40/44/04/358404404.db2.gz ZDVCOZBTYFURCU-YPMHNXCESA-N 0 3 236.359 3.295 20 0 BGADHN CCc1cnc(CN[C@@H]2CC[C@@H](C)C[C@@H]2C)o1 ZINC000229593568 358404319 /nfs/dbraw/zinc/40/43/19/358404319.db2.gz IFTVSICOTZKJHZ-NTZNESFSSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1cnc(CN[C@@H]2CC[C@H](C)C[C@@H]2C)o1 ZINC000229593587 358404314 /nfs/dbraw/zinc/40/43/14/358404314.db2.gz IFTVSICOTZKJHZ-GMXVVIOVSA-N 0 3 236.359 3.151 20 0 BGADHN C[C@@H](NCc1cccc(C2CC2)c1)c1cn[nH]c1 ZINC000229626386 387186241 /nfs/dbraw/zinc/18/62/41/387186241.db2.gz FKKASHSSZNNEFB-LLVKDONJSA-N 0 3 241.338 3.138 20 0 BGADHN C[C@H](NCc1cccc(C2CC2)c1)c1cn[nH]c1 ZINC000229626397 387187003 /nfs/dbraw/zinc/18/70/03/387187003.db2.gz FKKASHSSZNNEFB-NSHDSACASA-N 0 3 241.338 3.138 20 0 BGADHN C[C@@H](NCc1ccc(C2CC2)cc1)c1cn[nH]c1 ZINC000229629085 384392977 /nfs/dbraw/zinc/39/29/77/384392977.db2.gz FCVJTUNXUMCIHA-LLVKDONJSA-N 0 3 241.338 3.138 20 0 BGADHN C[C@H](NCc1ccc(C2CC2)cc1)c1cn[nH]c1 ZINC000229629094 384394385 /nfs/dbraw/zinc/39/43/85/384394385.db2.gz FCVJTUNXUMCIHA-NSHDSACASA-N 0 3 241.338 3.138 20 0 BGADHN C[C@@H](N[C@@H](c1cccs1)C1CC1)c1cn[nH]c1 ZINC000229634200 387188725 /nfs/dbraw/zinc/18/87/25/387188725.db2.gz FTFYFZADRSQJEW-NOZJJQNGSA-N 0 3 247.367 3.273 20 0 BGADHN C[C@H](N[C@@H](c1cccs1)C1CC1)c1cn[nH]c1 ZINC000229634214 387189346 /nfs/dbraw/zinc/18/93/46/387189346.db2.gz FTFYFZADRSQJEW-TVQRCGJNSA-N 0 3 247.367 3.273 20 0 BGADHN C[C@@H](N[C@H](c1cccs1)C1CC1)c1cn[nH]c1 ZINC000229634222 387190170 /nfs/dbraw/zinc/19/01/70/387190170.db2.gz FTFYFZADRSQJEW-RNCFNFMXSA-N 0 3 247.367 3.273 20 0 BGADHN C[C@H](N[C@H](c1cccs1)C1CC1)c1cn[nH]c1 ZINC000229634232 387190389 /nfs/dbraw/zinc/19/03/89/387190389.db2.gz FTFYFZADRSQJEW-ZANVPECISA-N 0 3 247.367 3.273 20 0 BGADHN CC(C)[C@@H](N[C@@H](C)c1cn[nH]c1)c1ccccc1 ZINC000229635796 387190753 /nfs/dbraw/zinc/19/07/53/387190753.db2.gz RZZRXIFQWXNLOA-SWLSCSKDSA-N 0 3 243.354 3.458 20 0 BGADHN CC(C)[C@H](N[C@@H](C)c1cn[nH]c1)c1ccccc1 ZINC000229635803 387189372 /nfs/dbraw/zinc/18/93/72/387189372.db2.gz RZZRXIFQWXNLOA-WFASDCNBSA-N 0 3 243.354 3.458 20 0 BGADHN CC(C)[C@@H](N[C@H](C)c1cn[nH]c1)c1ccccc1 ZINC000229635811 134463431 /nfs/dbraw/zinc/46/34/31/134463431.db2.gz RZZRXIFQWXNLOA-IUODEOHRSA-N 0 3 243.354 3.458 20 0 BGADHN CC(C)[C@H](N[C@H](C)c1cn[nH]c1)c1ccccc1 ZINC000229635816 387188910 /nfs/dbraw/zinc/18/89/10/387188910.db2.gz RZZRXIFQWXNLOA-DOMZBBRYSA-N 0 3 243.354 3.458 20 0 BGADHN C[C@@H](N[C@@H](c1ccccc1)C1CC1)c1cn[nH]c1 ZINC000229636700 385647794 /nfs/dbraw/zinc/64/77/94/385647794.db2.gz QIRNDTPZWVNMDT-ABAIWWIYSA-N 0 3 241.338 3.212 20 0 BGADHN C[C@H](N[C@@H](c1ccccc1)C1CC1)c1cn[nH]c1 ZINC000229636709 385648338 /nfs/dbraw/zinc/64/83/38/385648338.db2.gz QIRNDTPZWVNMDT-NHYWBVRUSA-N 0 3 241.338 3.212 20 0 BGADHN C[C@@H](N[C@H](c1ccccc1)C1CC1)c1cn[nH]c1 ZINC000229636715 385647706 /nfs/dbraw/zinc/64/77/06/385647706.db2.gz QIRNDTPZWVNMDT-IAQYHMDHSA-N 0 3 241.338 3.212 20 0 BGADHN C[C@H](N[C@H](c1ccccc1)C1CC1)c1cn[nH]c1 ZINC000229636725 385648195 /nfs/dbraw/zinc/64/81/95/385648195.db2.gz QIRNDTPZWVNMDT-XHDPSFHLSA-N 0 3 241.338 3.212 20 0 BGADHN CCCCOCCNCc1ccc2cc[nH]c2c1 ZINC000229641349 372176579 /nfs/dbraw/zinc/17/65/79/372176579.db2.gz GQYHZSGZQIHLAC-UHFFFAOYSA-N 0 3 246.354 3.074 20 0 BGADHN CCCCOCCNCc1ccc2[nH]ccc2c1 ZINC000229641375 358405571 /nfs/dbraw/zinc/40/55/71/358405571.db2.gz RLVHCGKFLADCON-UHFFFAOYSA-N 0 3 246.354 3.074 20 0 BGADHN FC(F)(F)CCNCc1ccc2cc[nH]c2c1 ZINC000229650952 324971080 /nfs/dbraw/zinc/97/10/80/324971080.db2.gz DKTWYYKDEAEJGD-UHFFFAOYSA-N 0 3 242.244 3.210 20 0 BGADHN FC(F)(F)CCNCc1ccc2[nH]ccc2c1 ZINC000229650962 358406315 /nfs/dbraw/zinc/40/63/15/358406315.db2.gz MOLYAAAYRVONKI-UHFFFAOYSA-N 0 3 242.244 3.210 20 0 BGADHN CCc1ccc(CNCc2ccncc2C)s1 ZINC000229658199 171808889 /nfs/dbraw/zinc/80/88/89/171808889.db2.gz WKYJHEKTQBUQBD-UHFFFAOYSA-N 0 3 246.379 3.304 20 0 BGADHN Cc1cc(C)cc(CNCc2ccncc2C)c1 ZINC000229659642 487935585 /nfs/dbraw/zinc/93/55/85/487935585.db2.gz XYZAJFQRMAYJLN-UHFFFAOYSA-N 0 3 240.350 3.297 20 0 BGADHN Cc1cnccc1CN[C@H](C)c1ccccc1 ZINC000229661234 385650853 /nfs/dbraw/zinc/65/08/53/385650853.db2.gz RXHIWAPDQJRWRI-CYBMUJFWSA-N 0 3 226.323 3.241 20 0 BGADHN Cc1cnccc1CN[C@@H](C)c1ccccc1 ZINC000229661244 385650141 /nfs/dbraw/zinc/65/01/41/385650141.db2.gz RXHIWAPDQJRWRI-ZDUSSCGKSA-N 0 3 226.323 3.241 20 0 BGADHN Cc1ccc(CNCc2ccncc2C)c(C)c1 ZINC000229661281 388798138 /nfs/dbraw/zinc/79/81/38/388798138.db2.gz CVQFXAZYYYNXNS-UHFFFAOYSA-N 0 3 240.350 3.297 20 0 BGADHN COc1ccc(CN[C@@H]2CC[C@@H](C)C2)c(F)c1 ZINC000229742215 387195487 /nfs/dbraw/zinc/19/54/87/387195487.db2.gz HZDCTWBHUGKRGQ-ZYHUDNBSSA-N 0 3 237.318 3.113 20 0 BGADHN COc1ccc(CN[C@H]2CC[C@@H](C)C2)c(F)c1 ZINC000229742222 387193766 /nfs/dbraw/zinc/19/37/66/387193766.db2.gz HZDCTWBHUGKRGQ-PWSUYJOCSA-N 0 3 237.318 3.113 20 0 BGADHN COc1ccc(CN[C@@H]2CC[C@H](C)C2)c(F)c1 ZINC000229742227 387194533 /nfs/dbraw/zinc/19/45/33/387194533.db2.gz HZDCTWBHUGKRGQ-CMPLNLGQSA-N 0 3 237.318 3.113 20 0 BGADHN COc1ccc(CN[C@H]2CC[C@H](C)C2)c(F)c1 ZINC000229742233 387195197 /nfs/dbraw/zinc/19/51/97/387195197.db2.gz HZDCTWBHUGKRGQ-JQWIXIFHSA-N 0 3 237.318 3.113 20 0 BGADHN CCC(C)(C)CNCc1ccc(OC)cc1F ZINC000229742602 358407680 /nfs/dbraw/zinc/40/76/80/358407680.db2.gz PUACUDCEKJRIIN-UHFFFAOYSA-N 0 3 239.334 3.360 20 0 BGADHN CC(C)c1ccc(CN[C@@H](C)c2cn[nH]c2)cc1 ZINC000229883761 385686330 /nfs/dbraw/zinc/68/63/30/385686330.db2.gz QPKVBBZWDIYMGM-LBPRGKRZSA-N 0 3 243.354 3.384 20 0 BGADHN CC(C)c1ccc(CN[C@H](C)c2cn[nH]c2)cc1 ZINC000229883772 385685685 /nfs/dbraw/zinc/68/56/85/385685685.db2.gz QPKVBBZWDIYMGM-GFCCVEGCSA-N 0 3 243.354 3.384 20 0 BGADHN C[C@@H](NCc1ccccc1C1CC1)c1cn[nH]c1 ZINC000229884331 582675564 /nfs/dbraw/zinc/67/55/64/582675564.db2.gz ZEKQDHUZSKIQQP-LLVKDONJSA-N 0 3 241.338 3.138 20 0 BGADHN C[C@H](NCc1ccccc1C1CC1)c1cn[nH]c1 ZINC000229884335 491121505 /nfs/dbraw/zinc/12/15/05/491121505.db2.gz ZEKQDHUZSKIQQP-NSHDSACASA-N 0 3 241.338 3.138 20 0 BGADHN Cc1cc(C)c(CN[C@@H](C)c2cn[nH]c2)cc1C ZINC000229884772 385685736 /nfs/dbraw/zinc/68/57/36/385685736.db2.gz BWEUANYPEITAFS-ZDUSSCGKSA-N 0 3 243.354 3.186 20 0 BGADHN Cc1cc(C)c(CN[C@H](C)c2cn[nH]c2)cc1C ZINC000229884778 385686217 /nfs/dbraw/zinc/68/62/17/385686217.db2.gz BWEUANYPEITAFS-CYBMUJFWSA-N 0 3 243.354 3.186 20 0 BGADHN CC(C)[C@@H](CCO)Nc1ccnc2ccccc21 ZINC000229941363 167393825 /nfs/dbraw/zinc/39/38/25/167393825.db2.gz CEGKGFGIEGEITR-CYBMUJFWSA-N 0 3 244.338 3.054 20 0 BGADHN CC(C)[C@H](CCO)Nc1ccnc2ccccc21 ZINC000229941370 188186481 /nfs/dbraw/zinc/18/64/81/188186481.db2.gz CEGKGFGIEGEITR-ZDUSSCGKSA-N 0 3 244.338 3.054 20 0 BGADHN c1ccc2c(c1)nccc2NCC[C@@H]1CCOC1 ZINC000230104019 387251970 /nfs/dbraw/zinc/25/19/70/387251970.db2.gz IQVSEXCYLAZKOO-GFCCVEGCSA-N 0 3 242.322 3.073 20 0 BGADHN c1ccc2c(c1)nccc2NCC[C@H]1CCOC1 ZINC000230104025 387252565 /nfs/dbraw/zinc/25/25/65/387252565.db2.gz IQVSEXCYLAZKOO-LBPRGKRZSA-N 0 3 242.322 3.073 20 0 BGADHN CCCCCCNCc1ncc(CC)s1 ZINC000230141062 641030594 /nfs/dbraw/zinc/03/05/94/641030594.db2.gz NPPSYZBWPJNMCI-UHFFFAOYSA-N 0 3 226.389 3.375 20 0 BGADHN CCc1cnc(CNCCc2ccccc2)s1 ZINC000230141119 536050358 /nfs/dbraw/zinc/05/03/58/536050358.db2.gz CACSCUIKLAHMMO-UHFFFAOYSA-N 0 3 246.379 3.038 20 0 BGADHN C[C@@H](CO)CCCNc1ccnc2ccccc21 ZINC000230147200 175740925 /nfs/dbraw/zinc/74/09/25/175740925.db2.gz FFPKDPPMBZKRGB-GFCCVEGCSA-N 0 3 244.338 3.055 20 0 BGADHN C[C@H](CO)CCCNc1ccnc2ccccc21 ZINC000230147210 385713227 /nfs/dbraw/zinc/71/32/27/385713227.db2.gz FFPKDPPMBZKRGB-LBPRGKRZSA-N 0 3 244.338 3.055 20 0 BGADHN CCc1cnc(CN[C@@H]2CCC(C)(C)C2)s1 ZINC000230147690 387234512 /nfs/dbraw/zinc/23/45/12/387234512.db2.gz SAAQCRSKYNWWQP-SNVBAGLBSA-N 0 3 238.400 3.374 20 0 BGADHN CCc1cnc(CN[C@H]2CCC(C)(C)C2)s1 ZINC000230147697 387233234 /nfs/dbraw/zinc/23/32/34/387233234.db2.gz SAAQCRSKYNWWQP-JTQLQIEISA-N 0 3 238.400 3.374 20 0 BGADHN CSCCCCCCNCc1nccs1 ZINC000230149247 641031450 /nfs/dbraw/zinc/03/14/50/641031450.db2.gz QYUWZHTXLIDBSQ-UHFFFAOYSA-N 0 3 244.429 3.156 20 0 BGADHN Cc1cc(CN[C@@]2(C)CCO[C@@H]2C)c(C)s1 ZINC000230152868 387236552 /nfs/dbraw/zinc/23/65/52/387236552.db2.gz WVQYMEIELLLYCO-YPMHNXCESA-N 0 3 239.384 3.022 20 0 BGADHN Cc1cc(CN[C@]2(C)CCO[C@@H]2C)c(C)s1 ZINC000230152872 387236208 /nfs/dbraw/zinc/23/62/08/387236208.db2.gz WVQYMEIELLLYCO-DGCLKSJQSA-N 0 3 239.384 3.022 20 0 BGADHN Cc1cc(CN[C@@]2(C)CCO[C@H]2C)c(C)s1 ZINC000230152877 387236647 /nfs/dbraw/zinc/23/66/47/387236647.db2.gz WVQYMEIELLLYCO-AAEUAGOBSA-N 0 3 239.384 3.022 20 0 BGADHN Cc1cc(CN[C@]2(C)CCO[C@H]2C)c(C)s1 ZINC000230152881 387237205 /nfs/dbraw/zinc/23/72/05/387237205.db2.gz WVQYMEIELLLYCO-WCQYABFASA-N 0 3 239.384 3.022 20 0 BGADHN C[C@@H]1OCC[C@@]1(C)NCc1coc2ccccc12 ZINC000230153470 387235833 /nfs/dbraw/zinc/23/58/33/387235833.db2.gz LLHXHUQFWYZVQZ-XHDPSFHLSA-N 0 3 245.322 3.090 20 0 BGADHN C[C@H]1OCC[C@@]1(C)NCc1coc2ccccc12 ZINC000230153474 387236018 /nfs/dbraw/zinc/23/60/18/387236018.db2.gz LLHXHUQFWYZVQZ-IAQYHMDHSA-N 0 3 245.322 3.090 20 0 BGADHN C[C@@H]1OCC[C@]1(C)NCc1coc2ccccc12 ZINC000230153480 387236472 /nfs/dbraw/zinc/23/64/72/387236472.db2.gz LLHXHUQFWYZVQZ-NHYWBVRUSA-N 0 3 245.322 3.090 20 0 BGADHN C[C@H]1OCC[C@]1(C)NCc1coc2ccccc12 ZINC000230153485 387236183 /nfs/dbraw/zinc/23/61/83/387236183.db2.gz LLHXHUQFWYZVQZ-ABAIWWIYSA-N 0 3 245.322 3.090 20 0 BGADHN C[C@@H]1OCC[C@@]1(C)NCc1cc2ccccc2o1 ZINC000230154873 387237169 /nfs/dbraw/zinc/23/71/69/387237169.db2.gz COMYAFCKQPBVII-XHDPSFHLSA-N 0 3 245.322 3.090 20 0 BGADHN C[C@H]1OCC[C@@]1(C)NCc1cc2ccccc2o1 ZINC000230154879 387236794 /nfs/dbraw/zinc/23/67/94/387236794.db2.gz COMYAFCKQPBVII-IAQYHMDHSA-N 0 3 245.322 3.090 20 0 BGADHN C[C@@H]1OCC[C@]1(C)NCc1cc2ccccc2o1 ZINC000230154882 387237052 /nfs/dbraw/zinc/23/70/52/387237052.db2.gz COMYAFCKQPBVII-NHYWBVRUSA-N 0 3 245.322 3.090 20 0 BGADHN C[C@H]1OCC[C@]1(C)NCc1cc2ccccc2o1 ZINC000230154886 387237097 /nfs/dbraw/zinc/23/70/97/387237097.db2.gz COMYAFCKQPBVII-ABAIWWIYSA-N 0 3 245.322 3.090 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CN[C@@]2(C)CCO[C@@H]2C)o1 ZINC000230155411 134484390 /nfs/dbraw/zinc/48/43/90/134484390.db2.gz DSXDYLMGTKIEAU-ZSEWYUTFSA-N 0 3 249.354 3.060 20 0 BGADHN C[C@@H]1OCC[C@@]1(C)NCc1ccc(Cl)s1 ZINC000230155792 388818057 /nfs/dbraw/zinc/81/80/57/388818057.db2.gz SFPMANFFNPIQJO-GZMMTYOYSA-N 0 3 245.775 3.059 20 0 BGADHN C[C@H]1OCC[C@@]1(C)NCc1ccc(Cl)s1 ZINC000230155796 388818146 /nfs/dbraw/zinc/81/81/46/388818146.db2.gz SFPMANFFNPIQJO-LDYMZIIASA-N 0 3 245.775 3.059 20 0 BGADHN C[C@@H]1OCC[C@]1(C)NCc1ccc(Cl)s1 ZINC000230155800 388818121 /nfs/dbraw/zinc/81/81/21/388818121.db2.gz SFPMANFFNPIQJO-KWQFWETISA-N 0 3 245.775 3.059 20 0 BGADHN C[C@H]1OCC[C@]1(C)NCc1ccc(Cl)s1 ZINC000230155803 388817904 /nfs/dbraw/zinc/81/79/04/388817904.db2.gz SFPMANFFNPIQJO-KCJUWKMLSA-N 0 3 245.775 3.059 20 0 BGADHN CC1(CNCc2cccc(Cl)c2F)CC1 ZINC000230155927 388817202 /nfs/dbraw/zinc/81/72/02/388817202.db2.gz SGSJMMVIUKJWOB-UHFFFAOYSA-N 0 3 227.710 3.369 20 0 BGADHN CCCC1(CNCc2cccc3c2OCO3)CC1 ZINC000230157979 134483921 /nfs/dbraw/zinc/48/39/21/134483921.db2.gz FAILLRFYBUBIMP-UHFFFAOYSA-N 0 3 247.338 3.085 20 0 BGADHN CCc1ccc(CNC(C)(C)C2CC2)o1 ZINC000230197589 325011007 /nfs/dbraw/zinc/01/10/07/325011007.db2.gz FLZMKHIDHWHEBG-UHFFFAOYSA-N 0 3 207.317 3.120 20 0 BGADHN CCC1(CNCc2nccs2)CCCC1 ZINC000230199952 491128560 /nfs/dbraw/zinc/12/85/60/491128560.db2.gz AEVREFWVRBSLQT-UHFFFAOYSA-N 0 3 224.373 3.203 20 0 BGADHN Cc1ccc(CNCCCC2CCCC2)nc1 ZINC000230219997 134490124 /nfs/dbraw/zinc/49/01/24/134490124.db2.gz OQFKGFLHSXHHLV-UHFFFAOYSA-N 0 3 232.371 3.450 20 0 BGADHN Cc1ccc(CNCC2(C)CCCCC2)nc1 ZINC000230221559 387249644 /nfs/dbraw/zinc/24/96/44/387249644.db2.gz ADBSGHUWUDLNRW-UHFFFAOYSA-N 0 3 232.371 3.450 20 0 BGADHN CC[C@@](C)(CCO)NCc1cc2ccccc2o1 ZINC000230221859 171165521 /nfs/dbraw/zinc/16/55/21/171165521.db2.gz AJCKWHCOVQKXHM-HNNXBMFYSA-N 0 3 247.338 3.074 20 0 BGADHN CC[C@](C)(CCO)NCc1cc2ccccc2o1 ZINC000230221863 385720256 /nfs/dbraw/zinc/72/02/56/385720256.db2.gz AJCKWHCOVQKXHM-OAHLLOKOSA-N 0 3 247.338 3.074 20 0 BGADHN Fc1cc(Cl)cc(CN[C@@H]2CCSC2)c1 ZINC000230226729 388820842 /nfs/dbraw/zinc/82/08/42/388820842.db2.gz MFBFSBDVLTWUJB-LLVKDONJSA-N 0 3 245.750 3.074 20 0 BGADHN Fc1cc(Cl)cc(CN[C@H]2CCSC2)c1 ZINC000230226733 388820666 /nfs/dbraw/zinc/82/06/66/388820666.db2.gz MFBFSBDVLTWUJB-NSHDSACASA-N 0 3 245.750 3.074 20 0 BGADHN CCc1ccc(CNCc2cncc(C)c2)s1 ZINC000230313159 325017695 /nfs/dbraw/zinc/01/76/95/325017695.db2.gz DVXWEHGYHLNQAW-UHFFFAOYSA-N 0 3 246.379 3.304 20 0 BGADHN CCN(Cc1cnc(Cl)s1)CC1CCC1 ZINC000230313476 641045719 /nfs/dbraw/zinc/04/57/19/641045719.db2.gz GQIVCSLVIKOMMM-UHFFFAOYSA-N 0 3 244.791 3.419 20 0 BGADHN CC1(C)CC[C@@H]([NH2+]Cc2ccc([O-])c(F)c2)C1 ZINC000230395078 641049372 /nfs/dbraw/zinc/04/93/72/641049372.db2.gz QICSKAIVZVPUGJ-LLVKDONJSA-N 0 3 237.318 3.200 20 0 BGADHN CC1(C)CC[C@H]([NH2+]Cc2ccc([O-])c(F)c2)C1 ZINC000230395082 641049160 /nfs/dbraw/zinc/04/91/60/641049160.db2.gz QICSKAIVZVPUGJ-NSHDSACASA-N 0 3 237.318 3.200 20 0 BGADHN Cc1cnc(CN[C@@H]2CCC(C)(C)C2)s1 ZINC000230395398 363306234 /nfs/dbraw/zinc/30/62/34/363306234.db2.gz FSWADWNTEXHJCZ-SNVBAGLBSA-N 0 3 224.373 3.120 20 0 BGADHN Cc1cnc(CN[C@H]2CCC(C)(C)C2)s1 ZINC000230395400 363306511 /nfs/dbraw/zinc/30/65/11/363306511.db2.gz FSWADWNTEXHJCZ-JTQLQIEISA-N 0 3 224.373 3.120 20 0 BGADHN C[C@@H]1CC[C@@H](CNCc2ccc(Cl)o2)C1 ZINC000230403066 134512573 /nfs/dbraw/zinc/51/25/73/134512573.db2.gz HVSQMAVBZYMUNX-NXEZZACHSA-N 0 3 227.735 3.459 20 0 BGADHN C[C@H]1CC[C@@H](CNCc2ccc(Cl)o2)C1 ZINC000230403069 363307806 /nfs/dbraw/zinc/30/78/06/363307806.db2.gz HVSQMAVBZYMUNX-VHSXEESVSA-N 0 3 227.735 3.459 20 0 BGADHN C[C@@H]1CC[C@H](CNCc2ccc(Cl)o2)C1 ZINC000230403071 363307522 /nfs/dbraw/zinc/30/75/22/363307522.db2.gz HVSQMAVBZYMUNX-ZJUUUORDSA-N 0 3 227.735 3.459 20 0 BGADHN C[C@H]1CC[C@H](CNCc2ccc(Cl)o2)C1 ZINC000230403074 363307719 /nfs/dbraw/zinc/30/77/19/363307719.db2.gz HVSQMAVBZYMUNX-UWVGGRQHSA-N 0 3 227.735 3.459 20 0 BGADHN C[C@@H]1CC[C@@H](CNCc2c(F)cccc2F)C1 ZINC000230403299 388825369 /nfs/dbraw/zinc/82/53/69/388825369.db2.gz AEZVOHJUXVVBDN-GHMZBOCLSA-N 0 3 239.309 3.491 20 0 BGADHN C[C@H]1CC[C@@H](CNCc2c(F)cccc2F)C1 ZINC000230403301 388825874 /nfs/dbraw/zinc/82/58/74/388825874.db2.gz AEZVOHJUXVVBDN-WDEREUQCSA-N 0 3 239.309 3.491 20 0 BGADHN C[C@@H]1CC[C@H](CNCc2c(F)cccc2F)C1 ZINC000230403303 388825460 /nfs/dbraw/zinc/82/54/60/388825460.db2.gz AEZVOHJUXVVBDN-MNOVXSKESA-N 0 3 239.309 3.491 20 0 BGADHN C[C@H]1CC[C@H](CNCc2c(F)cccc2F)C1 ZINC000230403305 388826146 /nfs/dbraw/zinc/82/61/46/388826146.db2.gz AEZVOHJUXVVBDN-QWRGUYRKSA-N 0 3 239.309 3.491 20 0 BGADHN C[C@@H](NC[C@@H]1CC[C@@H](C)C1)c1ccc(F)cn1 ZINC000230404096 357539398 /nfs/dbraw/zinc/53/93/98/357539398.db2.gz WDRROOYKUVIZPN-IJLUTSLNSA-N 0 3 236.334 3.308 20 0 BGADHN C[C@H](NC[C@@H]1CC[C@@H](C)C1)c1ccc(F)cn1 ZINC000230404098 134512811 /nfs/dbraw/zinc/51/28/11/134512811.db2.gz WDRROOYKUVIZPN-GRYCIOLGSA-N 0 3 236.334 3.308 20 0 BGADHN C[C@@H](NC[C@H]1CC[C@@H](C)C1)c1ccc(F)cn1 ZINC000230404100 357539427 /nfs/dbraw/zinc/53/94/27/357539427.db2.gz WDRROOYKUVIZPN-UTUOFQBUSA-N 0 3 236.334 3.308 20 0 BGADHN C[C@H](NC[C@H]1CC[C@@H](C)C1)c1ccc(F)cn1 ZINC000230404102 357539602 /nfs/dbraw/zinc/53/96/02/357539602.db2.gz WDRROOYKUVIZPN-WOPDTQHZSA-N 0 3 236.334 3.308 20 0 BGADHN C[C@@H]1CC[C@@H](C[NH2+]Cc2cc([O-])cc(F)c2)C1 ZINC000230404201 357539485 /nfs/dbraw/zinc/53/94/85/357539485.db2.gz NCQZZUBDGYSNOL-GHMZBOCLSA-N 0 3 237.318 3.057 20 0 BGADHN C[C@H]1CC[C@@H](C[NH2+]Cc2cc([O-])cc(F)c2)C1 ZINC000230404204 357539666 /nfs/dbraw/zinc/53/96/66/357539666.db2.gz NCQZZUBDGYSNOL-WDEREUQCSA-N 0 3 237.318 3.057 20 0 BGADHN C[C@@H]1CC[C@H](C[NH2+]Cc2cc([O-])cc(F)c2)C1 ZINC000230404206 357539403 /nfs/dbraw/zinc/53/94/03/357539403.db2.gz NCQZZUBDGYSNOL-MNOVXSKESA-N 0 3 237.318 3.057 20 0 BGADHN C[C@H]1CC[C@H](C[NH2+]Cc2cc([O-])cc(F)c2)C1 ZINC000230404207 357539632 /nfs/dbraw/zinc/53/96/32/357539632.db2.gz NCQZZUBDGYSNOL-QWRGUYRKSA-N 0 3 237.318 3.057 20 0 BGADHN C[C@@H]1CC[C@@H](CNCc2ccc(F)cc2F)C1 ZINC000230404248 323215924 /nfs/dbraw/zinc/21/59/24/323215924.db2.gz HZVFFPSXQCCOHS-GHMZBOCLSA-N 0 3 239.309 3.491 20 0 BGADHN C[C@H]1CC[C@@H](CNCc2ccc(F)cc2F)C1 ZINC000230404250 323215941 /nfs/dbraw/zinc/21/59/41/323215941.db2.gz HZVFFPSXQCCOHS-WDEREUQCSA-N 0 3 239.309 3.491 20 0 BGADHN C[C@@H]1CC[C@H](CNCc2ccc(F)cc2F)C1 ZINC000230404252 323216436 /nfs/dbraw/zinc/21/64/36/323216436.db2.gz HZVFFPSXQCCOHS-MNOVXSKESA-N 0 3 239.309 3.491 20 0 BGADHN C[C@H]1CC[C@H](CNCc2ccc(F)cc2F)C1 ZINC000230404254 323216324 /nfs/dbraw/zinc/21/63/24/323216324.db2.gz HZVFFPSXQCCOHS-QWRGUYRKSA-N 0 3 239.309 3.491 20 0 BGADHN Cc1ccc(CNC[C@@H]2CC[C@@H](C)C2)o1 ZINC000230404362 363307876 /nfs/dbraw/zinc/30/78/76/363307876.db2.gz MAUBYHIUSGLSOC-ZYHUDNBSSA-N 0 3 207.317 3.114 20 0 BGADHN Cc1ccc(CNC[C@H]2CC[C@@H](C)C2)o1 ZINC000230404365 363307258 /nfs/dbraw/zinc/30/72/58/363307258.db2.gz MAUBYHIUSGLSOC-PWSUYJOCSA-N 0 3 207.317 3.114 20 0 BGADHN Cc1ccc(CNC[C@@H]2CC[C@H](C)C2)o1 ZINC000230404367 363307390 /nfs/dbraw/zinc/30/73/90/363307390.db2.gz MAUBYHIUSGLSOC-CMPLNLGQSA-N 0 3 207.317 3.114 20 0 BGADHN Cc1ccc(CNC[C@H]2CC[C@H](C)C2)o1 ZINC000230404400 363307304 /nfs/dbraw/zinc/30/73/04/363307304.db2.gz MAUBYHIUSGLSOC-JQWIXIFHSA-N 0 3 207.317 3.114 20 0 BGADHN C[C@@H]1CC[C@@H](CNCc2cccc(F)c2F)C1 ZINC000230405047 323216347 /nfs/dbraw/zinc/21/63/47/323216347.db2.gz WWCHXJWQCNAJFX-GHMZBOCLSA-N 0 3 239.309 3.491 20 0 BGADHN C[C@H]1CC[C@@H](CNCc2cccc(F)c2F)C1 ZINC000230405050 323216646 /nfs/dbraw/zinc/21/66/46/323216646.db2.gz WWCHXJWQCNAJFX-WDEREUQCSA-N 0 3 239.309 3.491 20 0 BGADHN C[C@@H]1CC[C@H](CNCc2cccc(F)c2F)C1 ZINC000230405054 323216339 /nfs/dbraw/zinc/21/63/39/323216339.db2.gz WWCHXJWQCNAJFX-MNOVXSKESA-N 0 3 239.309 3.491 20 0 BGADHN C[C@H]1CC[C@H](CNCc2cccc(F)c2F)C1 ZINC000230405056 323216447 /nfs/dbraw/zinc/21/64/47/323216447.db2.gz WWCHXJWQCNAJFX-QWRGUYRKSA-N 0 3 239.309 3.491 20 0 BGADHN COC[C@@H](C)N[C@@H](C)c1csc(Cl)c1 ZINC000230406731 135020937 /nfs/dbraw/zinc/02/09/37/135020937.db2.gz VHQAZXQCSZXJIH-SFYZADRCSA-N 0 3 233.764 3.087 20 0 BGADHN COC[C@H](C)N[C@@H](C)c1csc(Cl)c1 ZINC000230406733 134513993 /nfs/dbraw/zinc/51/39/93/134513993.db2.gz VHQAZXQCSZXJIH-YUMQZZPRSA-N 0 3 233.764 3.087 20 0 BGADHN COC[C@@H](C)N[C@H](C)c1csc(Cl)c1 ZINC000230406737 363307758 /nfs/dbraw/zinc/30/77/58/363307758.db2.gz VHQAZXQCSZXJIH-HTQZYQBOSA-N 0 3 233.764 3.087 20 0 BGADHN COC[C@H](C)N[C@H](C)c1csc(Cl)c1 ZINC000230406739 363307815 /nfs/dbraw/zinc/30/78/15/363307815.db2.gz VHQAZXQCSZXJIH-JGVFFNPUSA-N 0 3 233.764 3.087 20 0 BGADHN CCc1ccc(CNC[C@@H]2CC[C@@H](C)C2)o1 ZINC000230406877 357539697 /nfs/dbraw/zinc/53/96/97/357539697.db2.gz FOTGKLDPTKOWDB-VXGBXAGGSA-N 0 3 221.344 3.368 20 0 BGADHN CCc1ccc(CNC[C@H]2CC[C@@H](C)C2)o1 ZINC000230406879 357539511 /nfs/dbraw/zinc/53/95/11/357539511.db2.gz FOTGKLDPTKOWDB-NEPJUHHUSA-N 0 3 221.344 3.368 20 0 BGADHN CCc1ccc(CNC[C@@H]2CC[C@H](C)C2)o1 ZINC000230406880 357539447 /nfs/dbraw/zinc/53/94/47/357539447.db2.gz FOTGKLDPTKOWDB-NWDGAFQWSA-N 0 3 221.344 3.368 20 0 BGADHN CCc1ccc(CNC[C@H]2CC[C@H](C)C2)o1 ZINC000230406881 357539578 /nfs/dbraw/zinc/53/95/78/357539578.db2.gz FOTGKLDPTKOWDB-RYUDHWBXSA-N 0 3 221.344 3.368 20 0 BGADHN CSCCN[C@@H](C)c1csc(Cl)c1 ZINC000230407016 369438822 /nfs/dbraw/zinc/43/88/22/369438822.db2.gz UQUVSFAJXFXVME-ZETCQYMHSA-N 0 3 235.805 3.415 20 0 BGADHN CSCCN[C@H](C)c1csc(Cl)c1 ZINC000230407018 369438843 /nfs/dbraw/zinc/43/88/43/369438843.db2.gz UQUVSFAJXFXVME-SSDOTTSWSA-N 0 3 235.805 3.415 20 0 BGADHN C[C@@H]1CC[C@@H](CNCc2cc(F)ccc2F)C1 ZINC000230409121 388825529 /nfs/dbraw/zinc/82/55/29/388825529.db2.gz GGYZFMLCPCMNNW-GHMZBOCLSA-N 0 3 239.309 3.491 20 0 BGADHN C[C@H]1CC[C@@H](CNCc2cc(F)ccc2F)C1 ZINC000230409125 388825735 /nfs/dbraw/zinc/82/57/35/388825735.db2.gz GGYZFMLCPCMNNW-WDEREUQCSA-N 0 3 239.309 3.491 20 0 BGADHN C[C@@H]1CC[C@H](CNCc2cc(F)ccc2F)C1 ZINC000230409128 388825669 /nfs/dbraw/zinc/82/56/69/388825669.db2.gz GGYZFMLCPCMNNW-MNOVXSKESA-N 0 3 239.309 3.491 20 0 BGADHN C[C@H]1CC[C@H](CNCc2cc(F)ccc2F)C1 ZINC000230409129 388825208 /nfs/dbraw/zinc/82/52/08/388825208.db2.gz GGYZFMLCPCMNNW-QWRGUYRKSA-N 0 3 239.309 3.491 20 0 BGADHN CCOC[C@@H](C)N[C@@H](C)c1csc(Cl)c1 ZINC000230409245 357540325 /nfs/dbraw/zinc/54/03/25/357540325.db2.gz UDACWBDPTKCYLT-BDAKNGLRSA-N 0 3 247.791 3.477 20 0 BGADHN CCOC[C@H](C)N[C@@H](C)c1csc(Cl)c1 ZINC000230409248 363308291 /nfs/dbraw/zinc/30/82/91/363308291.db2.gz UDACWBDPTKCYLT-IUCAKERBSA-N 0 3 247.791 3.477 20 0 BGADHN CCOC[C@@H](C)N[C@H](C)c1csc(Cl)c1 ZINC000230409252 363308675 /nfs/dbraw/zinc/30/86/75/363308675.db2.gz UDACWBDPTKCYLT-RKDXNWHRSA-N 0 3 247.791 3.477 20 0 BGADHN CCOC[C@H](C)N[C@H](C)c1csc(Cl)c1 ZINC000230409255 363308813 /nfs/dbraw/zinc/30/88/13/363308813.db2.gz UDACWBDPTKCYLT-DTWKUNHWSA-N 0 3 247.791 3.477 20 0 BGADHN C[C@@H](CN[C@@H](C)c1csc(Cl)c1)N(C)C ZINC000230409307 363308499 /nfs/dbraw/zinc/30/84/99/363308499.db2.gz DRJVDKSAIAHXBO-IUCAKERBSA-N 0 3 246.807 3.002 20 0 BGADHN C[C@H](CN[C@@H](C)c1csc(Cl)c1)N(C)C ZINC000230409311 363308889 /nfs/dbraw/zinc/30/88/89/363308889.db2.gz DRJVDKSAIAHXBO-BDAKNGLRSA-N 0 3 246.807 3.002 20 0 BGADHN C[C@@H](NC[C@H](C)N(C)C)c1csc(Cl)c1 ZINC000230409315 363308855 /nfs/dbraw/zinc/30/88/55/363308855.db2.gz DRJVDKSAIAHXBO-DTWKUNHWSA-N 0 3 246.807 3.002 20 0 BGADHN C[C@H](CN[C@H](C)c1csc(Cl)c1)N(C)C ZINC000230409318 363308599 /nfs/dbraw/zinc/30/85/99/363308599.db2.gz DRJVDKSAIAHXBO-RKDXNWHRSA-N 0 3 246.807 3.002 20 0 BGADHN C[C@@H](CCO)CN[C@@H](C)c1csc(Cl)c1 ZINC000230410193 363308486 /nfs/dbraw/zinc/30/84/86/363308486.db2.gz CJGMBUWCSZBFRW-IUCAKERBSA-N 0 3 247.791 3.071 20 0 BGADHN C[C@H](CCO)CN[C@@H](C)c1csc(Cl)c1 ZINC000230410197 363308427 /nfs/dbraw/zinc/30/84/27/363308427.db2.gz CJGMBUWCSZBFRW-BDAKNGLRSA-N 0 3 247.791 3.071 20 0 BGADHN C[C@@H](NC[C@@H](C)CCO)c1csc(Cl)c1 ZINC000230410200 363308834 /nfs/dbraw/zinc/30/88/34/363308834.db2.gz CJGMBUWCSZBFRW-DTWKUNHWSA-N 0 3 247.791 3.071 20 0 BGADHN C[C@H](CCO)CN[C@H](C)c1csc(Cl)c1 ZINC000230410204 363308008 /nfs/dbraw/zinc/30/80/08/363308008.db2.gz CJGMBUWCSZBFRW-RKDXNWHRSA-N 0 3 247.791 3.071 20 0 BGADHN COC(C)(C)CN[C@@H](C)c1csc(Cl)c1 ZINC000230410490 363308131 /nfs/dbraw/zinc/30/81/31/363308131.db2.gz LLQIMBLSGHRDOU-QMMMGPOBSA-N 0 3 247.791 3.477 20 0 BGADHN COC(C)(C)CN[C@H](C)c1csc(Cl)c1 ZINC000230410493 363308773 /nfs/dbraw/zinc/30/87/73/363308773.db2.gz LLQIMBLSGHRDOU-MRVPVSSYSA-N 0 3 247.791 3.477 20 0 BGADHN C[C@@H](NCC(C)(C)CO)c1csc(Cl)c1 ZINC000230410962 491130038 /nfs/dbraw/zinc/13/00/38/491130038.db2.gz LFOWVQZFUIUKTD-MRVPVSSYSA-N 0 3 247.791 3.071 20 0 BGADHN C[C@H](NCC(C)(C)CO)c1csc(Cl)c1 ZINC000230410966 491130028 /nfs/dbraw/zinc/13/00/28/491130028.db2.gz LFOWVQZFUIUKTD-QMMMGPOBSA-N 0 3 247.791 3.071 20 0 BGADHN C[C@@H](NC[C@@H]1CC[C@@H](C)C1)c1nccs1 ZINC000230411352 363308791 /nfs/dbraw/zinc/30/87/91/363308791.db2.gz FHEAIEMLGBTODR-GMTAPVOTSA-N 0 3 224.373 3.230 20 0 BGADHN C[C@H](NC[C@@H]1CC[C@@H](C)C1)c1nccs1 ZINC000230411355 363308050 /nfs/dbraw/zinc/30/80/50/363308050.db2.gz FHEAIEMLGBTODR-OUAUKWLOSA-N 0 3 224.373 3.230 20 0 BGADHN C[C@@H](NC[C@H]1CC[C@@H](C)C1)c1nccs1 ZINC000230411359 363308187 /nfs/dbraw/zinc/30/81/87/363308187.db2.gz FHEAIEMLGBTODR-MXWKQRLJSA-N 0 3 224.373 3.230 20 0 BGADHN C[C@H](NC[C@H]1CC[C@@H](C)C1)c1nccs1 ZINC000230411361 363308440 /nfs/dbraw/zinc/30/84/40/363308440.db2.gz FHEAIEMLGBTODR-VWYCJHECSA-N 0 3 224.373 3.230 20 0 BGADHN C[C@@H](NC[C@@H]1CC[C@@H](C)C1)c1cscn1 ZINC000230412501 325022364 /nfs/dbraw/zinc/02/23/64/325022364.db2.gz SZCFSHOIFNJFRM-GMTAPVOTSA-N 0 3 224.373 3.230 20 0 BGADHN C[C@H](NC[C@@H]1CC[C@@H](C)C1)c1cscn1 ZINC000230412504 325022299 /nfs/dbraw/zinc/02/22/99/325022299.db2.gz SZCFSHOIFNJFRM-OUAUKWLOSA-N 0 3 224.373 3.230 20 0 BGADHN C[C@@H](NC[C@H]1CC[C@@H](C)C1)c1cscn1 ZINC000230412506 325022351 /nfs/dbraw/zinc/02/23/51/325022351.db2.gz SZCFSHOIFNJFRM-MXWKQRLJSA-N 0 3 224.373 3.230 20 0 BGADHN C[C@H](NC[C@H]1CC[C@@H](C)C1)c1cscn1 ZINC000230412509 325022643 /nfs/dbraw/zinc/02/26/43/325022643.db2.gz SZCFSHOIFNJFRM-VWYCJHECSA-N 0 3 224.373 3.230 20 0 BGADHN C[C@H](C[C@H](C)O)N[C@@H](C)c1csc(Cl)c1 ZINC000230412964 363310383 /nfs/dbraw/zinc/31/03/83/363310383.db2.gz OQQZCWAQTYCTHL-VGMNWLOBSA-N 0 3 247.791 3.212 20 0 BGADHN C[C@H](O)C[C@H](C)N[C@@H](C)c1csc(Cl)c1 ZINC000230412972 363310283 /nfs/dbraw/zinc/31/02/83/363310283.db2.gz OQQZCWAQTYCTHL-CIUDSAMLSA-N 0 3 247.791 3.212 20 0 BGADHN C[C@@H]1CC[C@@H](CNCc2ncc(Cl)s2)C1 ZINC000230414080 343425568 /nfs/dbraw/zinc/42/55/68/343425568.db2.gz HYYRXHMBNZONAV-RKDXNWHRSA-N 0 3 244.791 3.322 20 0 BGADHN C[C@H]1CC[C@@H](CNCc2ncc(Cl)s2)C1 ZINC000230414082 363309952 /nfs/dbraw/zinc/30/99/52/363309952.db2.gz HYYRXHMBNZONAV-DTWKUNHWSA-N 0 3 244.791 3.322 20 0 BGADHN C[C@@H]1CC[C@H](CNCc2ncc(Cl)s2)C1 ZINC000230414084 363310314 /nfs/dbraw/zinc/31/03/14/363310314.db2.gz HYYRXHMBNZONAV-BDAKNGLRSA-N 0 3 244.791 3.322 20 0 BGADHN C[C@H]1CC[C@H](CNCc2ncc(Cl)s2)C1 ZINC000230414086 363310135 /nfs/dbraw/zinc/31/01/35/363310135.db2.gz HYYRXHMBNZONAV-IUCAKERBSA-N 0 3 244.791 3.322 20 0 BGADHN COC(C)(C)CCN[C@@H](C)c1ccc(C)o1 ZINC000230417341 357523181 /nfs/dbraw/zinc/52/31/81/357523181.db2.gz AKZCJNLGSVJIIL-NSHDSACASA-N 0 3 225.332 3.054 20 0 BGADHN COC(C)(C)CCN[C@H](C)c1ccc(C)o1 ZINC000230417344 357523245 /nfs/dbraw/zinc/52/32/45/357523245.db2.gz AKZCJNLGSVJIIL-LLVKDONJSA-N 0 3 225.332 3.054 20 0 BGADHN CCc1nc(CNC[C@@H]2CC[C@@H](C)C2)cs1 ZINC000230417500 357523300 /nfs/dbraw/zinc/52/33/00/357523300.db2.gz CSGYJOTUOTZVRV-GHMZBOCLSA-N 0 3 238.400 3.231 20 0 BGADHN CCc1nc(CNC[C@H]2CC[C@@H](C)C2)cs1 ZINC000230417504 357523166 /nfs/dbraw/zinc/52/31/66/357523166.db2.gz CSGYJOTUOTZVRV-MNOVXSKESA-N 0 3 238.400 3.231 20 0 BGADHN CCc1nc(CNC[C@@H]2CC[C@H](C)C2)cs1 ZINC000230417505 357523441 /nfs/dbraw/zinc/52/34/41/357523441.db2.gz CSGYJOTUOTZVRV-WDEREUQCSA-N 0 3 238.400 3.231 20 0 BGADHN CCc1nc(CNC[C@H]2CC[C@H](C)C2)cs1 ZINC000230417509 357523169 /nfs/dbraw/zinc/52/31/69/357523169.db2.gz CSGYJOTUOTZVRV-QWRGUYRKSA-N 0 3 238.400 3.231 20 0 BGADHN C[C@@H]1CC[C@@H](CNCc2ccncc2Cl)C1 ZINC000230419401 325023243 /nfs/dbraw/zinc/02/32/43/325023243.db2.gz PZCZCXHJSSWGBC-GHMZBOCLSA-N 0 3 238.762 3.261 20 0 BGADHN C[C@H]1CC[C@@H](CNCc2ccncc2Cl)C1 ZINC000230419403 325023270 /nfs/dbraw/zinc/02/32/70/325023270.db2.gz PZCZCXHJSSWGBC-WDEREUQCSA-N 0 3 238.762 3.261 20 0 BGADHN C[C@@H]1CC[C@H](CNCc2ccncc2Cl)C1 ZINC000230419405 325022981 /nfs/dbraw/zinc/02/29/81/325022981.db2.gz PZCZCXHJSSWGBC-MNOVXSKESA-N 0 3 238.762 3.261 20 0 BGADHN C[C@H]1CC[C@H](CNCc2ccncc2Cl)C1 ZINC000230419408 325023005 /nfs/dbraw/zinc/02/30/05/325023005.db2.gz PZCZCXHJSSWGBC-QWRGUYRKSA-N 0 3 238.762 3.261 20 0 BGADHN CC(C)c1cccc(CN2CCC(CO)CC2)c1 ZINC000230515728 488114340 /nfs/dbraw/zinc/11/43/40/488114340.db2.gz PQEZBAKJPRBIGU-UHFFFAOYSA-N 0 3 247.382 3.014 20 0 BGADHN CCc1cnc(CNC2[C@@H](C)CCC[C@@H]2C)o1 ZINC000230614869 358408811 /nfs/dbraw/zinc/40/88/11/358408811.db2.gz MZXRMABUEDCFRH-QWRGUYRKSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1cnc(CNC2[C@H](C)CCC[C@H]2C)o1 ZINC000230614891 358408557 /nfs/dbraw/zinc/40/85/57/358408557.db2.gz MZXRMABUEDCFRH-GHMZBOCLSA-N 0 3 236.359 3.151 20 0 BGADHN Cc1noc(C)c1[C@@H](C)N[C@@H]1C=CCCC1 ZINC000230616233 491130457 /nfs/dbraw/zinc/13/04/57/491130457.db2.gz HIJAISUYTQHTBT-BXKDBHETSA-N 0 3 220.316 3.051 20 0 BGADHN Cc1noc(C)c1[C@H](C)N[C@@H]1C=CCCC1 ZINC000230616240 491130432 /nfs/dbraw/zinc/13/04/32/491130432.db2.gz HIJAISUYTQHTBT-JOYOIKCWSA-N 0 3 220.316 3.051 20 0 BGADHN Cc1noc(C)c1[C@@H](C)N[C@H]1C=CCCC1 ZINC000230616251 491130416 /nfs/dbraw/zinc/13/04/16/491130416.db2.gz HIJAISUYTQHTBT-SKDRFNHKSA-N 0 3 220.316 3.051 20 0 BGADHN Cc1noc(C)c1[C@H](C)N[C@H]1C=CCCC1 ZINC000230616261 491130451 /nfs/dbraw/zinc/13/04/51/491130451.db2.gz HIJAISUYTQHTBT-CABZTGNLSA-N 0 3 220.316 3.051 20 0 BGADHN CC[C@H](C)[C@@H](C)N[C@@H](C)c1ncc(C)o1 ZINC000230616991 363314296 /nfs/dbraw/zinc/31/42/96/363314296.db2.gz WVLYKPKMBATBJH-GDPRMGEGSA-N 0 3 210.321 3.068 20 0 BGADHN CC[C@H](C)[C@H](C)N[C@@H](C)c1ncc(C)o1 ZINC000230617014 363314819 /nfs/dbraw/zinc/31/48/19/363314819.db2.gz WVLYKPKMBATBJH-LSJOCFKGSA-N 0 3 210.321 3.068 20 0 BGADHN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NCc1ccno1 ZINC000230617728 325041505 /nfs/dbraw/zinc/04/15/05/325041505.db2.gz RSCYUACBJFAUAA-XBFCOCLRSA-N 0 3 236.359 3.225 20 0 BGADHN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NCc1ccno1 ZINC000230617738 325041671 /nfs/dbraw/zinc/04/16/71/325041671.db2.gz RSCYUACBJFAUAA-BNOWGMLFSA-N 0 3 236.359 3.225 20 0 BGADHN CC(C)(NCc1ccncc1Cl)C1CC1 ZINC000230620404 491130442 /nfs/dbraw/zinc/13/04/42/491130442.db2.gz OGKJERNMAFQVEW-UHFFFAOYSA-N 0 3 224.735 3.013 20 0 BGADHN Cc1nc(C)c([C@@H](C)NC/C=C/Cl)s1 ZINC000230635262 641072924 /nfs/dbraw/zinc/07/29/24/641072924.db2.gz PWWPNJJLPCIODU-SMMXGFFBSA-N 0 3 230.764 3.163 20 0 BGADHN Cc1nc(C)c([C@H](C)NC/C=C/Cl)s1 ZINC000230635271 641072637 /nfs/dbraw/zinc/07/26/37/641072637.db2.gz PWWPNJJLPCIODU-KPJROHGDSA-N 0 3 230.764 3.163 20 0 BGADHN CCC(C)(C)CNCc1ccccc1F ZINC000230635316 388827036 /nfs/dbraw/zinc/82/70/36/388827036.db2.gz SGZUHTWTYSCESI-UHFFFAOYSA-N 0 3 209.308 3.352 20 0 BGADHN Cc1ccc([C@@H](C)NC/C=C/Cl)s1 ZINC000230635948 641076007 /nfs/dbraw/zinc/07/60/07/641076007.db2.gz HWILQPVHEDXVTA-BSPAPZMXSA-N 0 3 215.749 3.460 20 0 BGADHN Cc1ccc([C@H](C)NC/C=C/Cl)s1 ZINC000230635954 641075580 /nfs/dbraw/zinc/07/55/80/641075580.db2.gz HWILQPVHEDXVTA-SWTNXBIASA-N 0 3 215.749 3.460 20 0 BGADHN CCC(C)(C)CNCc1ccc(Cl)o1 ZINC000230636330 388827374 /nfs/dbraw/zinc/82/73/74/388827374.db2.gz WLJYRSVHAWAXEV-UHFFFAOYSA-N 0 3 215.724 3.459 20 0 BGADHN Cc1cnc([C@@H](C)N[C@@H](C)C2CCCC2)o1 ZINC000230640880 357543648 /nfs/dbraw/zinc/54/36/48/357543648.db2.gz GGVQXBIQMYZDKI-WDEREUQCSA-N 0 3 222.332 3.212 20 0 BGADHN Cc1cnc([C@H](C)N[C@@H](C)C2CCCC2)o1 ZINC000230640886 357543282 /nfs/dbraw/zinc/54/32/82/357543282.db2.gz GGVQXBIQMYZDKI-QWRGUYRKSA-N 0 3 222.332 3.212 20 0 BGADHN Cc1cnc([C@@H](C)N[C@H](C)C2CCCC2)o1 ZINC000230640892 357543462 /nfs/dbraw/zinc/54/34/62/357543462.db2.gz GGVQXBIQMYZDKI-GHMZBOCLSA-N 0 3 222.332 3.212 20 0 BGADHN Cc1cnc([C@H](C)N[C@H](C)C2CCCC2)o1 ZINC000230640900 357543420 /nfs/dbraw/zinc/54/34/20/357543420.db2.gz GGVQXBIQMYZDKI-MNOVXSKESA-N 0 3 222.332 3.212 20 0 BGADHN CCC(C)(C)CNCc1ccc(F)cc1F ZINC000230649657 358408843 /nfs/dbraw/zinc/40/88/43/358408843.db2.gz LRZQTHYXDHMIFK-UHFFFAOYSA-N 0 3 227.298 3.491 20 0 BGADHN C[C@@H]1CCC[C@@H]1CNCc1c(F)cccc1F ZINC000230651638 259648638 /nfs/dbraw/zinc/64/86/38/259648638.db2.gz AVZHFTFTKWLQEO-GHMZBOCLSA-N 0 3 239.309 3.491 20 0 BGADHN C[C@H]1CCC[C@@H]1CNCc1c(F)cccc1F ZINC000230651645 388827320 /nfs/dbraw/zinc/82/73/20/388827320.db2.gz AVZHFTFTKWLQEO-WDEREUQCSA-N 0 3 239.309 3.491 20 0 BGADHN C[C@@H]1CCC[C@H]1CNCc1c(F)cccc1F ZINC000230651651 388827540 /nfs/dbraw/zinc/82/75/40/388827540.db2.gz AVZHFTFTKWLQEO-MNOVXSKESA-N 0 3 239.309 3.491 20 0 BGADHN C[C@H]1CCC[C@H]1CNCc1c(F)cccc1F ZINC000230651657 388827247 /nfs/dbraw/zinc/82/72/47/388827247.db2.gz AVZHFTFTKWLQEO-QWRGUYRKSA-N 0 3 239.309 3.491 20 0 BGADHN C[C@@H]1CCC[C@@H]1CNCc1ccc(Cl)o1 ZINC000230652782 388826792 /nfs/dbraw/zinc/82/67/92/388826792.db2.gz WXGXHBQGIDYASA-NXEZZACHSA-N 0 3 227.735 3.459 20 0 BGADHN C[C@H]1CCC[C@@H]1CNCc1ccc(Cl)o1 ZINC000230652786 388827701 /nfs/dbraw/zinc/82/77/01/388827701.db2.gz WXGXHBQGIDYASA-VHSXEESVSA-N 0 3 227.735 3.459 20 0 BGADHN C[C@@H]1CCC[C@H]1CNCc1ccc(Cl)o1 ZINC000230652793 388826686 /nfs/dbraw/zinc/82/66/86/388826686.db2.gz WXGXHBQGIDYASA-ZJUUUORDSA-N 0 3 227.735 3.459 20 0 BGADHN C[C@H]1CCC[C@H]1CNCc1ccc(Cl)o1 ZINC000230652799 388827210 /nfs/dbraw/zinc/82/72/10/388827210.db2.gz WXGXHBQGIDYASA-UWVGGRQHSA-N 0 3 227.735 3.459 20 0 BGADHN C[C@H](NC[C@@H]1CCC[C@@H]1C)c1ccc(F)cn1 ZINC000230654576 357544695 /nfs/dbraw/zinc/54/46/95/357544695.db2.gz ZICRLZOFSQDUHK-SRVKXCTJSA-N 0 3 236.334 3.308 20 0 BGADHN C[C@H](NC[C@H]1CCC[C@@H]1C)c1ccc(F)cn1 ZINC000230654586 357544665 /nfs/dbraw/zinc/54/46/65/357544665.db2.gz ZICRLZOFSQDUHK-SDDRHHMPSA-N 0 3 236.334 3.308 20 0 BGADHN C[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc([O-])cc(F)c1 ZINC000230654739 357544400 /nfs/dbraw/zinc/54/44/00/357544400.db2.gz SELYAGFATIPQQA-ZYHUDNBSSA-N 0 3 237.318 3.057 20 0 BGADHN C[C@H]1CCC[C@@H]1C[NH2+]Cc1cc([O-])cc(F)c1 ZINC000230654742 357544261 /nfs/dbraw/zinc/54/42/61/357544261.db2.gz SELYAGFATIPQQA-CMPLNLGQSA-N 0 3 237.318 3.057 20 0 BGADHN C[C@@H]1CCC[C@H]1C[NH2+]Cc1cc([O-])cc(F)c1 ZINC000230654746 357545679 /nfs/dbraw/zinc/54/56/79/357545679.db2.gz SELYAGFATIPQQA-PWSUYJOCSA-N 0 3 237.318 3.057 20 0 BGADHN C[C@H]1CCC[C@H]1C[NH2+]Cc1cc([O-])cc(F)c1 ZINC000230654751 357545642 /nfs/dbraw/zinc/54/56/42/357545642.db2.gz SELYAGFATIPQQA-JQWIXIFHSA-N 0 3 237.318 3.057 20 0 BGADHN C[C@@H]1CCC[C@@H]1CNCc1ccc(F)cc1F ZINC000230654972 358408182 /nfs/dbraw/zinc/40/81/82/358408182.db2.gz LOWDRJVIPBNXEH-GHMZBOCLSA-N 0 3 239.309 3.491 20 0 BGADHN C[C@H]1CCC[C@@H]1CNCc1ccc(F)cc1F ZINC000230654976 358408873 /nfs/dbraw/zinc/40/88/73/358408873.db2.gz LOWDRJVIPBNXEH-WDEREUQCSA-N 0 3 239.309 3.491 20 0 BGADHN C[C@@H]1CCC[C@H]1CNCc1ccc(F)cc1F ZINC000230654982 357545888 /nfs/dbraw/zinc/54/58/88/357545888.db2.gz LOWDRJVIPBNXEH-MNOVXSKESA-N 0 3 239.309 3.491 20 0 BGADHN C[C@H]1CCC[C@H]1CNCc1ccc(F)cc1F ZINC000230654989 358408464 /nfs/dbraw/zinc/40/84/64/358408464.db2.gz LOWDRJVIPBNXEH-QWRGUYRKSA-N 0 3 239.309 3.491 20 0 BGADHN C[C@@H]1CCC[C@@H]1CNCc1cccc(F)c1F ZINC000230656520 358409641 /nfs/dbraw/zinc/40/96/41/358409641.db2.gz YRFQRRMNULBZGQ-GHMZBOCLSA-N 0 3 239.309 3.491 20 0 BGADHN C[C@H]1CCC[C@@H]1CNCc1cccc(F)c1F ZINC000230656524 358409689 /nfs/dbraw/zinc/40/96/89/358409689.db2.gz YRFQRRMNULBZGQ-WDEREUQCSA-N 0 3 239.309 3.491 20 0 BGADHN C[C@@H]1CCC[C@H]1CNCc1cccc(F)c1F ZINC000230656527 358409616 /nfs/dbraw/zinc/40/96/16/358409616.db2.gz YRFQRRMNULBZGQ-MNOVXSKESA-N 0 3 239.309 3.491 20 0 BGADHN C[C@H]1CCC[C@H]1CNCc1cccc(F)c1F ZINC000230656531 358409410 /nfs/dbraw/zinc/40/94/10/358409410.db2.gz YRFQRRMNULBZGQ-QWRGUYRKSA-N 0 3 239.309 3.491 20 0 BGADHN CCC(C)(C)CNCc1cc(F)ccc1F ZINC000230656765 259648578 /nfs/dbraw/zinc/64/85/78/259648578.db2.gz IFPLNQABYGPVHH-UHFFFAOYSA-N 0 3 227.298 3.491 20 0 BGADHN CCc1nc(CNCC(C)(C)CC)cs1 ZINC000230657956 363317598 /nfs/dbraw/zinc/31/75/98/363317598.db2.gz AZDNIGXPABFATM-UHFFFAOYSA-N 0 3 226.389 3.231 20 0 BGADHN C[C@@H]1CCC[C@@H]1CNCc1cc(F)ccc1F ZINC000230662053 259323540 /nfs/dbraw/zinc/32/35/40/259323540.db2.gz BPTNPGVAINAYNN-GHMZBOCLSA-N 0 3 239.309 3.491 20 0 BGADHN C[C@H]1CCC[C@@H]1CNCc1cc(F)ccc1F ZINC000230662055 259323589 /nfs/dbraw/zinc/32/35/89/259323589.db2.gz BPTNPGVAINAYNN-WDEREUQCSA-N 0 3 239.309 3.491 20 0 BGADHN C[C@@H]1CCC[C@H]1CNCc1cc(F)ccc1F ZINC000230662059 388828420 /nfs/dbraw/zinc/82/84/20/388828420.db2.gz BPTNPGVAINAYNN-MNOVXSKESA-N 0 3 239.309 3.491 20 0 BGADHN C[C@H]1CCC[C@H]1CNCc1cc(F)ccc1F ZINC000230662063 388828412 /nfs/dbraw/zinc/82/84/12/388828412.db2.gz BPTNPGVAINAYNN-QWRGUYRKSA-N 0 3 239.309 3.491 20 0 BGADHN CCC(C)(C)C[NH2+]Cc1ccc([O-])c(F)c1 ZINC000230663654 641083042 /nfs/dbraw/zinc/08/30/42/641083042.db2.gz WSUGZRAOGWJOHQ-UHFFFAOYSA-N 0 3 225.307 3.057 20 0 BGADHN C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc([O-])c(F)c2)C1 ZINC000230663670 641081737 /nfs/dbraw/zinc/08/17/37/641081737.db2.gz ABJBIUHUGWYBBI-ZYHUDNBSSA-N 0 3 237.318 3.200 20 0 BGADHN C[C@H]1CCC[C@@H]([NH2+]Cc2ccc([O-])c(F)c2)C1 ZINC000230663674 641082193 /nfs/dbraw/zinc/08/21/93/641082193.db2.gz ABJBIUHUGWYBBI-CMPLNLGQSA-N 0 3 237.318 3.200 20 0 BGADHN C[C@@H]1CCC[C@H]([NH2+]Cc2ccc([O-])c(F)c2)C1 ZINC000230663680 641081836 /nfs/dbraw/zinc/08/18/36/641081836.db2.gz ABJBIUHUGWYBBI-PWSUYJOCSA-N 0 3 237.318 3.200 20 0 BGADHN C[C@H]1CCC[C@H]([NH2+]Cc2ccc([O-])c(F)c2)C1 ZINC000230663684 641082017 /nfs/dbraw/zinc/08/20/17/641082017.db2.gz ABJBIUHUGWYBBI-JQWIXIFHSA-N 0 3 237.318 3.200 20 0 BGADHN C[C@H](NC[C@@H]1CCC[C@@H]1C)c1nccs1 ZINC000230664805 363318965 /nfs/dbraw/zinc/31/89/65/363318965.db2.gz PINWBWNUAHGZRZ-DCAQKATOSA-N 0 3 224.373 3.230 20 0 BGADHN C[C@H](NC[C@H]1CCC[C@@H]1C)c1nccs1 ZINC000230664813 363318507 /nfs/dbraw/zinc/31/85/07/363318507.db2.gz PINWBWNUAHGZRZ-GARJFASQSA-N 0 3 224.373 3.230 20 0 BGADHN C[C@H](NC[C@@H]1CCC[C@@H]1C)c1cscn1 ZINC000230665304 358409327 /nfs/dbraw/zinc/40/93/27/358409327.db2.gz JKRHDQWVXYREOU-DCAQKATOSA-N 0 3 224.373 3.230 20 0 BGADHN C[C@H](NC[C@H]1CCC[C@@H]1C)c1cscn1 ZINC000230665314 358409556 /nfs/dbraw/zinc/40/95/56/358409556.db2.gz JKRHDQWVXYREOU-GARJFASQSA-N 0 3 224.373 3.230 20 0 BGADHN CS[C@@H]1CCCC[C@H]1NCc1occc1C ZINC000230665377 369453660 /nfs/dbraw/zinc/45/36/60/369453660.db2.gz HLDOYMFVMIPCKR-DGCLKSJQSA-N 0 3 239.384 3.352 20 0 BGADHN C[C@@H]1CCC[C@@H]1CNCc1ncc(Cl)s1 ZINC000230667361 363318093 /nfs/dbraw/zinc/31/80/93/363318093.db2.gz UPCBRMWQUZEFMQ-RKDXNWHRSA-N 0 3 244.791 3.322 20 0 BGADHN C[C@H]1CCC[C@@H]1CNCc1ncc(Cl)s1 ZINC000230667364 363318361 /nfs/dbraw/zinc/31/83/61/363318361.db2.gz UPCBRMWQUZEFMQ-DTWKUNHWSA-N 0 3 244.791 3.322 20 0 BGADHN C[C@@H]1CCC[C@H]1CNCc1ncc(Cl)s1 ZINC000230667367 363318189 /nfs/dbraw/zinc/31/81/89/363318189.db2.gz UPCBRMWQUZEFMQ-BDAKNGLRSA-N 0 3 244.791 3.322 20 0 BGADHN C[C@H]1CCC[C@H]1CNCc1ncc(Cl)s1 ZINC000230667371 363318427 /nfs/dbraw/zinc/31/84/27/363318427.db2.gz UPCBRMWQUZEFMQ-IUCAKERBSA-N 0 3 244.791 3.322 20 0 BGADHN CCc1nc(CNC[C@@H]2CCC[C@@H]2C)cs1 ZINC000230672470 357548549 /nfs/dbraw/zinc/54/85/49/357548549.db2.gz IBMXSAHZBPCMPY-QWRGUYRKSA-N 0 3 238.400 3.231 20 0 BGADHN CCc1nc(CNC[C@H]2CCC[C@@H]2C)cs1 ZINC000230672473 357548528 /nfs/dbraw/zinc/54/85/28/357548528.db2.gz IBMXSAHZBPCMPY-WDEREUQCSA-N 0 3 238.400 3.231 20 0 BGADHN CCc1nc(CNC[C@@H]2CCC[C@H]2C)cs1 ZINC000230672475 357548576 /nfs/dbraw/zinc/54/85/76/357548576.db2.gz IBMXSAHZBPCMPY-MNOVXSKESA-N 0 3 238.400 3.231 20 0 BGADHN CCc1nc(CNC[C@H]2CCC[C@H]2C)cs1 ZINC000230672478 357548638 /nfs/dbraw/zinc/54/86/38/357548638.db2.gz IBMXSAHZBPCMPY-GHMZBOCLSA-N 0 3 238.400 3.231 20 0 BGADHN COC1CC(N[C@H](C)c2ccccc2Cl)C1 ZINC000230673061 357548403 /nfs/dbraw/zinc/54/84/03/357548403.db2.gz RNLCLAITVKGSOT-KPPDAEKUSA-N 0 3 239.746 3.168 20 0 BGADHN COC1CC(N[C@@H](C)c2cc3ccccc3o2)C1 ZINC000230673320 357548388 /nfs/dbraw/zinc/54/83/88/357548388.db2.gz DZZNDQDYUQZPDJ-PKSQDBQZSA-N 0 3 245.322 3.261 20 0 BGADHN COC1CC(N[C@H](C)c2cc3ccccc3o2)C1 ZINC000230673324 357548488 /nfs/dbraw/zinc/54/84/88/357548488.db2.gz DZZNDQDYUQZPDJ-QFWMXSHPSA-N 0 3 245.322 3.261 20 0 BGADHN CC(C)(NCc1ccc(Cl)o1)C1CC1 ZINC000230673635 323396880 /nfs/dbraw/zinc/39/68/80/323396880.db2.gz CPPZUYFMRIOCNM-UHFFFAOYSA-N 0 3 213.708 3.211 20 0 BGADHN CC(C)(NCc1ccc(F)cc1F)C1CC1 ZINC000230673739 350605828 /nfs/dbraw/zinc/60/58/28/350605828.db2.gz ISTBPZKOXWXLJT-UHFFFAOYSA-N 0 3 225.282 3.243 20 0 BGADHN CC(C)(NCc1cc(F)ccc1F)C1CC1 ZINC000230674156 323399154 /nfs/dbraw/zinc/39/91/54/323399154.db2.gz UDKYWTIPHUVQJH-UHFFFAOYSA-N 0 3 225.282 3.243 20 0 BGADHN CC(C)(NCc1cccc(F)c1F)C1CC1 ZINC000230675119 323399805 /nfs/dbraw/zinc/39/98/05/323399805.db2.gz YCQMKDCJVLGFFF-UHFFFAOYSA-N 0 3 225.282 3.243 20 0 BGADHN CC[C@@H](NC1CC(OC)C1)c1ccccc1F ZINC000230675746 488136170 /nfs/dbraw/zinc/13/61/70/488136170.db2.gz JUHMDGSKMBXGML-QIMFLAQGSA-N 0 3 237.318 3.044 20 0 BGADHN CC[C@H](NC1CC(OC)C1)c1ccccc1F ZINC000230675750 488135859 /nfs/dbraw/zinc/13/58/59/488135859.db2.gz JUHMDGSKMBXGML-MGULZYLOSA-N 0 3 237.318 3.044 20 0 BGADHN C[C@@H]1CCC[C@@H]1CNCc1ccncc1Cl ZINC000230676739 323427712 /nfs/dbraw/zinc/42/77/12/323427712.db2.gz IPIYUXMUGJYNLS-GHMZBOCLSA-N 0 3 238.762 3.261 20 0 BGADHN C[C@H]1CCC[C@@H]1CNCc1ccncc1Cl ZINC000230676741 387825112 /nfs/dbraw/zinc/82/51/12/387825112.db2.gz IPIYUXMUGJYNLS-WDEREUQCSA-N 0 3 238.762 3.261 20 0 BGADHN C[C@@H]1CCC[C@H]1CNCc1ccncc1Cl ZINC000230676742 323427305 /nfs/dbraw/zinc/42/73/05/323427305.db2.gz IPIYUXMUGJYNLS-MNOVXSKESA-N 0 3 238.762 3.261 20 0 BGADHN C[C@H]1CCC[C@H]1CNCc1ccncc1Cl ZINC000230676744 358855951 /nfs/dbraw/zinc/85/59/51/358855951.db2.gz IPIYUXMUGJYNLS-QWRGUYRKSA-N 0 3 238.762 3.261 20 0 BGADHN COC1CC(NCc2c(C)oc3ccccc32)C1 ZINC000230690139 357551199 /nfs/dbraw/zinc/55/11/99/357551199.db2.gz OFXHCHYGSFNGLM-UHFFFAOYSA-N 0 3 245.322 3.008 20 0 BGADHN c1c2ccccc2oc1CN[C@@H]1CCSC1 ZINC000230704942 358409859 /nfs/dbraw/zinc/40/98/59/358409859.db2.gz BIFHTGRLRLMDBW-LLVKDONJSA-N 0 3 233.336 3.028 20 0 BGADHN c1c2ccccc2oc1CN[C@H]1CCSC1 ZINC000230704945 358409978 /nfs/dbraw/zinc/40/99/78/358409978.db2.gz BIFHTGRLRLMDBW-NSHDSACASA-N 0 3 233.336 3.028 20 0 BGADHN CCC(CC)(CNCc1nccs1)SC ZINC000230708104 641083609 /nfs/dbraw/zinc/08/36/09/641083609.db2.gz FOCBQIDISIZBPE-UHFFFAOYSA-N 0 3 244.429 3.155 20 0 BGADHN FC(F)(F)CCNCc1cccc2cc[nH]c21 ZINC000230711868 357573710 /nfs/dbraw/zinc/57/37/10/357573710.db2.gz LISAOVBXJRSKQR-UHFFFAOYSA-N 0 3 242.244 3.210 20 0 BGADHN CC(C)C[C@@H]1CCC[C@@H](NCc2cc[nH]n2)C1 ZINC000230770351 387531961 /nfs/dbraw/zinc/53/19/61/387531961.db2.gz UWPAKKWDOOEZHS-QWHCGFSZSA-N 0 3 235.375 3.104 20 0 BGADHN CC(C)C[C@H]1CCC[C@@H](NCc2cc[nH]n2)C1 ZINC000230770354 387530636 /nfs/dbraw/zinc/53/06/36/387530636.db2.gz UWPAKKWDOOEZHS-CHWSQXEVSA-N 0 3 235.375 3.104 20 0 BGADHN CC(C)C[C@@H]1CCC[C@H](NCc2cc[nH]n2)C1 ZINC000230770356 387531939 /nfs/dbraw/zinc/53/19/39/387531939.db2.gz UWPAKKWDOOEZHS-STQMWFEESA-N 0 3 235.375 3.104 20 0 BGADHN CC(C)C[C@H]1CCC[C@H](NCc2cc[nH]n2)C1 ZINC000230770358 387530913 /nfs/dbraw/zinc/53/09/13/387530913.db2.gz UWPAKKWDOOEZHS-OLZOCXBDSA-N 0 3 235.375 3.104 20 0 BGADHN CC(C)C[C@@H]1CCC[C@@H](NCc2nccn2C)C1 ZINC000230771822 357565072 /nfs/dbraw/zinc/56/50/72/357565072.db2.gz WFJGJBDITLSDKS-UONOGXRCSA-N 0 3 249.402 3.115 20 0 BGADHN CC(C)C[C@H]1CCC[C@@H](NCc2nccn2C)C1 ZINC000230771824 357564704 /nfs/dbraw/zinc/56/47/04/357564704.db2.gz WFJGJBDITLSDKS-ZIAGYGMSSA-N 0 3 249.402 3.115 20 0 BGADHN CC(C)C[C@@H]1CCC[C@H](NCc2nccn2C)C1 ZINC000230771826 357564725 /nfs/dbraw/zinc/56/47/25/357564725.db2.gz WFJGJBDITLSDKS-KBPBESRZSA-N 0 3 249.402 3.115 20 0 BGADHN CC(C)C[C@H]1CCC[C@H](NCc2nccn2C)C1 ZINC000230771829 357564718 /nfs/dbraw/zinc/56/47/18/357564718.db2.gz WFJGJBDITLSDKS-KGLIPLIRSA-N 0 3 249.402 3.115 20 0 BGADHN CC(C)C[C@@H]1CCC[C@@H](NCc2ncc[nH]2)C1 ZINC000230772340 488156978 /nfs/dbraw/zinc/15/69/78/488156978.db2.gz BAIXZWZMTLXWQZ-QWHCGFSZSA-N 0 3 235.375 3.104 20 0 BGADHN CC(C)C[C@H]1CCC[C@@H](NCc2ncc[nH]2)C1 ZINC000230772344 488156931 /nfs/dbraw/zinc/15/69/31/488156931.db2.gz BAIXZWZMTLXWQZ-CHWSQXEVSA-N 0 3 235.375 3.104 20 0 BGADHN CC(C)C[C@@H]1CCC[C@H](NCc2ncc[nH]2)C1 ZINC000230772347 488156707 /nfs/dbraw/zinc/15/67/07/488156707.db2.gz BAIXZWZMTLXWQZ-STQMWFEESA-N 0 3 235.375 3.104 20 0 BGADHN CC(C)C[C@H]1CCC[C@H](NCc2ncc[nH]2)C1 ZINC000230772350 488156840 /nfs/dbraw/zinc/15/68/40/488156840.db2.gz BAIXZWZMTLXWQZ-OLZOCXBDSA-N 0 3 235.375 3.104 20 0 BGADHN CC(C)C[C@@H]1CCC[C@@H](NCc2ccon2)C1 ZINC000230773486 641093671 /nfs/dbraw/zinc/09/36/71/641093671.db2.gz FHZMYNMHEOEUMK-QWHCGFSZSA-N 0 3 236.359 3.369 20 0 BGADHN CC(C)C[C@H]1CCC[C@@H](NCc2ccon2)C1 ZINC000230773488 641092867 /nfs/dbraw/zinc/09/28/67/641092867.db2.gz FHZMYNMHEOEUMK-CHWSQXEVSA-N 0 3 236.359 3.369 20 0 BGADHN CC(C)C[C@@H]1CCC[C@H](NCc2ccon2)C1 ZINC000230773490 641093919 /nfs/dbraw/zinc/09/39/19/641093919.db2.gz FHZMYNMHEOEUMK-STQMWFEESA-N 0 3 236.359 3.369 20 0 BGADHN CC(C)C[C@H]1CCC[C@H](NCc2ccon2)C1 ZINC000230773492 641093485 /nfs/dbraw/zinc/09/34/85/641093485.db2.gz FHZMYNMHEOEUMK-OLZOCXBDSA-N 0 3 236.359 3.369 20 0 BGADHN CC(C)C[C@@H]1CCC[C@@H](NCc2ccn(C)n2)C1 ZINC000230774277 388830948 /nfs/dbraw/zinc/83/09/48/388830948.db2.gz HKGJNRMCDFWPKQ-UONOGXRCSA-N 0 3 249.402 3.115 20 0 BGADHN CC(C)C[C@H]1CCC[C@@H](NCc2ccn(C)n2)C1 ZINC000230774280 388831111 /nfs/dbraw/zinc/83/11/11/388831111.db2.gz HKGJNRMCDFWPKQ-ZIAGYGMSSA-N 0 3 249.402 3.115 20 0 BGADHN CC(C)C[C@@H]1CCC[C@H](NCc2ccn(C)n2)C1 ZINC000230774282 388830756 /nfs/dbraw/zinc/83/07/56/388830756.db2.gz HKGJNRMCDFWPKQ-KBPBESRZSA-N 0 3 249.402 3.115 20 0 BGADHN CC(C)C[C@H]1CCC[C@H](NCc2ccn(C)n2)C1 ZINC000230774284 259324701 /nfs/dbraw/zinc/32/47/01/259324701.db2.gz HKGJNRMCDFWPKQ-KGLIPLIRSA-N 0 3 249.402 3.115 20 0 BGADHN CCC(C)(C)CNCc1nn(C)c2ccccc12 ZINC000230868263 491130884 /nfs/dbraw/zinc/13/08/84/491130884.db2.gz GGWOBQHUHBJXDU-UHFFFAOYSA-N 0 3 245.370 3.099 20 0 BGADHN Cc1cc(C)c(CN[C@@H](C)c2cn[nH]c2)c(C)c1 ZINC000230937375 385770071 /nfs/dbraw/zinc/77/00/71/385770071.db2.gz OTJXJUDYGJKEBN-ZDUSSCGKSA-N 0 3 243.354 3.186 20 0 BGADHN Cc1cc(C)c(CN[C@H](C)c2cn[nH]c2)c(C)c1 ZINC000230937379 385769428 /nfs/dbraw/zinc/76/94/28/385769428.db2.gz OTJXJUDYGJKEBN-CYBMUJFWSA-N 0 3 243.354 3.186 20 0 BGADHN Fc1cncc(CNCCC2=CCCCC2)c1 ZINC000230937759 357580178 /nfs/dbraw/zinc/58/01/78/357580178.db2.gz GHLNFDSPPVUPGD-UHFFFAOYSA-N 0 3 234.318 3.201 20 0 BGADHN Cc1ccccc1[C@@H](C)NCc1cncc(F)c1 ZINC000230938063 179322032 /nfs/dbraw/zinc/32/20/32/179322032.db2.gz QDIZBIAKUWLGQG-GFCCVEGCSA-N 0 3 244.313 3.380 20 0 BGADHN Fc1cncc(CNCCCC2CCCC2)c1 ZINC000230938446 357581417 /nfs/dbraw/zinc/58/14/17/357581417.db2.gz JDOIWJPFZFQCTH-UHFFFAOYSA-N 0 3 236.334 3.281 20 0 BGADHN Fc1cncc(CNCCC2CCCCC2)c1 ZINC000230938527 357581157 /nfs/dbraw/zinc/58/11/57/357581157.db2.gz HAUJVVARLZJRQJ-UHFFFAOYSA-N 0 3 236.334 3.281 20 0 BGADHN CC[C@@H](NCc1cncc(F)c1)c1ccccc1 ZINC000230939845 350609798 /nfs/dbraw/zinc/60/97/98/350609798.db2.gz AXTQXBLAMBNRGD-OAHLLOKOSA-N 0 3 244.313 3.462 20 0 BGADHN CC[C@H](NCc1cncc(F)c1)c1ccccc1 ZINC000230939849 385769388 /nfs/dbraw/zinc/76/93/88/385769388.db2.gz AXTQXBLAMBNRGD-HNNXBMFYSA-N 0 3 244.313 3.462 20 0 BGADHN Cc1ccccc1C1CC(NCc2ccno2)C1 ZINC000230972955 358413197 /nfs/dbraw/zinc/41/31/97/358413197.db2.gz JBQKQNITWSALCY-UHFFFAOYSA-N 0 3 242.322 3.019 20 0 BGADHN Cc1ccc(C2CC(NCc3ccno3)C2)cc1 ZINC000230973014 358413167 /nfs/dbraw/zinc/41/31/67/358413167.db2.gz QAUYGLLFZCAKKG-UHFFFAOYSA-N 0 3 242.322 3.019 20 0 BGADHN Cc1cc(CN[C@@H]2CCC[C@@H](C(C)C)C2)no1 ZINC000230993574 388834222 /nfs/dbraw/zinc/83/42/22/388834222.db2.gz KAXCZCJYLDZMOO-CHWSQXEVSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1cc(CN[C@H]2CCC[C@@H](C(C)C)C2)no1 ZINC000230993576 322928933 /nfs/dbraw/zinc/92/89/33/322928933.db2.gz KAXCZCJYLDZMOO-OLZOCXBDSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1cc(CN[C@@H]2CCC[C@H](C(C)C)C2)no1 ZINC000230993579 322928973 /nfs/dbraw/zinc/92/89/73/322928973.db2.gz KAXCZCJYLDZMOO-QWHCGFSZSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1cc(CN[C@H]2CCC[C@H](C(C)C)C2)no1 ZINC000230993582 259650741 /nfs/dbraw/zinc/65/07/41/259650741.db2.gz KAXCZCJYLDZMOO-STQMWFEESA-N 0 3 236.359 3.287 20 0 BGADHN Cc1cc(CN[C@@H]2CCC[C@@H](C(C)C)C2)on1 ZINC000230993624 388834189 /nfs/dbraw/zinc/83/41/89/388834189.db2.gz SVISGJOSDHXHIP-CHWSQXEVSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1cc(CN[C@H]2CCC[C@@H](C(C)C)C2)on1 ZINC000230993625 388833260 /nfs/dbraw/zinc/83/32/60/388833260.db2.gz SVISGJOSDHXHIP-OLZOCXBDSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1cc(CN[C@@H]2CCC[C@H](C(C)C)C2)on1 ZINC000230993627 388833974 /nfs/dbraw/zinc/83/39/74/388833974.db2.gz SVISGJOSDHXHIP-QWHCGFSZSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1cc(CN[C@H]2CCC[C@H](C(C)C)C2)on1 ZINC000230993629 388834131 /nfs/dbraw/zinc/83/41/31/388834131.db2.gz SVISGJOSDHXHIP-STQMWFEESA-N 0 3 236.359 3.287 20 0 BGADHN CC(C)[C@@H]1CCC[C@@H](N[C@@H](C)c2ncc[nH]2)C1 ZINC000230998437 491131151 /nfs/dbraw/zinc/13/11/51/491131151.db2.gz IMXJNAHSQARVGE-YNEHKIRRSA-N 0 3 235.375 3.275 20 0 BGADHN CC(C)[C@H]1CCC[C@@H](N[C@@H](C)c2ncc[nH]2)C1 ZINC000230998441 491131128 /nfs/dbraw/zinc/13/11/28/491131128.db2.gz IMXJNAHSQARVGE-RWMBFGLXSA-N 0 3 235.375 3.275 20 0 BGADHN CC(C)[C@@H]1CCC[C@H](N[C@@H](C)c2ncc[nH]2)C1 ZINC000230998445 491131135 /nfs/dbraw/zinc/13/11/35/491131135.db2.gz IMXJNAHSQARVGE-XQQFMLRXSA-N 0 3 235.375 3.275 20 0 BGADHN CC(C)[C@H]1CCC[C@H](N[C@@H](C)c2ncc[nH]2)C1 ZINC000230998446 491131143 /nfs/dbraw/zinc/13/11/43/491131143.db2.gz IMXJNAHSQARVGE-AVGNSLFASA-N 0 3 235.375 3.275 20 0 BGADHN Cc1cnc(CN[C@@H]2CCCC[C@@H]2C(C)C)o1 ZINC000231042995 388835353 /nfs/dbraw/zinc/83/53/53/388835353.db2.gz ZABNDOCPURGYPR-CHWSQXEVSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1cnc(CN[C@H]2CCCC[C@@H]2C(C)C)o1 ZINC000231042997 388835058 /nfs/dbraw/zinc/83/50/58/388835058.db2.gz ZABNDOCPURGYPR-OLZOCXBDSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1cnc(CN[C@@H]2CCCC[C@H]2C(C)C)o1 ZINC000231043000 388835243 /nfs/dbraw/zinc/83/52/43/388835243.db2.gz ZABNDOCPURGYPR-QWHCGFSZSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1cnc(CN[C@H]2CCCC[C@H]2C(C)C)o1 ZINC000231043004 388834844 /nfs/dbraw/zinc/83/48/44/388834844.db2.gz ZABNDOCPURGYPR-STQMWFEESA-N 0 3 236.359 3.287 20 0 BGADHN Cc1cnc([C@H](C)N[C@@H]2CC[C@@H](C)C[C@@H]2C)o1 ZINC000231526526 134541099 /nfs/dbraw/zinc/54/10/99/134541099.db2.gz ULCOQPBQXPVISY-RSLMWUCJSA-N 0 3 236.359 3.458 20 0 BGADHN Cc1cccc([C@@H](C)NCCOCC2CC2)c1 ZINC000231666153 385811527 /nfs/dbraw/zinc/81/15/27/385811527.db2.gz FJHVZCSJRUWFBI-CYBMUJFWSA-N 0 3 233.355 3.072 20 0 BGADHN Cc1cccc([C@H](C)NCCOCC2CC2)c1 ZINC000231666157 179194330 /nfs/dbraw/zinc/19/43/30/179194330.db2.gz FJHVZCSJRUWFBI-ZDUSSCGKSA-N 0 3 233.355 3.072 20 0 BGADHN CO[C@@H]1CC[C@@H](N[C@@H](C)c2ccccc2F)C1 ZINC000231674666 388839423 /nfs/dbraw/zinc/83/94/23/388839423.db2.gz WTALTLADVCBWHP-QJPTWQEYSA-N 0 3 237.318 3.044 20 0 BGADHN CO[C@@H]1CC[C@H](N[C@@H](C)c2ccccc2F)C1 ZINC000231674671 388839616 /nfs/dbraw/zinc/83/96/16/388839616.db2.gz WTALTLADVCBWHP-SDDRHHMPSA-N 0 3 237.318 3.044 20 0 BGADHN CO[C@@H]1CC[C@H](NCc2ccc([C@@H]3C[C@@H]3C)o2)C1 ZINC000231678646 388839596 /nfs/dbraw/zinc/83/95/96/388839596.db2.gz XCOIKDCWSWTGCW-CIQGVGRVSA-N 0 3 249.354 3.060 20 0 BGADHN CSCCCCN[C@@H](C)c1nc(C)cs1 ZINC000231728005 351233200 /nfs/dbraw/zinc/23/32/00/351233200.db2.gz WCKLFPCMNZZOCQ-JTQLQIEISA-N 0 3 244.429 3.245 20 0 BGADHN CSCCCCN[C@H](C)c1nc(C)cs1 ZINC000231728008 351233162 /nfs/dbraw/zinc/23/31/62/351233162.db2.gz WCKLFPCMNZZOCQ-SNVBAGLBSA-N 0 3 244.429 3.245 20 0 BGADHN Cc1cnc([C@H](C)NC2[C@@H](C)CCC[C@@H]2C)o1 ZINC000231738782 357624213 /nfs/dbraw/zinc/62/42/13/357624213.db2.gz GHPGCJHOUGOVKG-NHCYSSNCSA-N 0 3 236.359 3.458 20 0 BGADHN CC[C@@H]1CCC[C@@H]1N[C@@H](C)c1ncc(C)o1 ZINC000231738843 357624187 /nfs/dbraw/zinc/62/41/87/357624187.db2.gz STKFWKHFHWVRDF-TUAOUCFPSA-N 0 3 222.332 3.212 20 0 BGADHN CC[C@@H]1CCC[C@H]1N[C@@H](C)c1ncc(C)o1 ZINC000231738846 357623947 /nfs/dbraw/zinc/62/39/47/357623947.db2.gz STKFWKHFHWVRDF-QJPTWQEYSA-N 0 3 222.332 3.212 20 0 BGADHN CCOC[C@@H](C)NCc1ccc(Cl)cc1C ZINC000231746922 357623647 /nfs/dbraw/zinc/62/36/47/357623647.db2.gz IGVFWUAWBWCJLB-LLVKDONJSA-N 0 3 241.762 3.163 20 0 BGADHN CCOC[C@H](C)NCc1ccc(Cl)cc1C ZINC000231746924 357623735 /nfs/dbraw/zinc/62/37/35/357623735.db2.gz IGVFWUAWBWCJLB-NSHDSACASA-N 0 3 241.762 3.163 20 0 BGADHN Cc1cnc(CN[C@@H]2CC[C@@H](C)[C@@H](C)C2)s1 ZINC000231747759 385818431 /nfs/dbraw/zinc/81/84/31/385818431.db2.gz PZLVRCXUUXIXCR-JFGNBEQYSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1cnc(CN[C@@H]2CC[C@H](C)[C@@H](C)C2)s1 ZINC000231747765 388841788 /nfs/dbraw/zinc/84/17/88/388841788.db2.gz PZLVRCXUUXIXCR-JBLDHEPKSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1cnc(CNCCCc2ccccc2)s1 ZINC000231788558 387279798 /nfs/dbraw/zinc/27/97/98/387279798.db2.gz YTMZZYUEGGAWSC-UHFFFAOYSA-N 0 3 246.379 3.174 20 0 BGADHN C[C@@H](CC(F)(F)F)N[C@@H](C)c1cncs1 ZINC000231791059 363354163 /nfs/dbraw/zinc/35/41/63/363354163.db2.gz LIJJKASMNSLRJC-BQBZGAKWSA-N 0 3 238.278 3.135 20 0 BGADHN C[C@H](CC(F)(F)F)N[C@@H](C)c1cncs1 ZINC000231791063 363353844 /nfs/dbraw/zinc/35/38/44/363353844.db2.gz LIJJKASMNSLRJC-RQJHMYQMSA-N 0 3 238.278 3.135 20 0 BGADHN C[C@@H](N[C@@H](C)CC(F)(F)F)c1cncs1 ZINC000231791066 363353715 /nfs/dbraw/zinc/35/37/15/363353715.db2.gz LIJJKASMNSLRJC-NKWVEPMBSA-N 0 3 238.278 3.135 20 0 BGADHN C[C@H](CC(F)(F)F)N[C@H](C)c1cncs1 ZINC000231791068 363354141 /nfs/dbraw/zinc/35/41/41/363354141.db2.gz LIJJKASMNSLRJC-RNFRBKRXSA-N 0 3 238.278 3.135 20 0 BGADHN CC(C)CC(CC(C)C)NCc1ccno1 ZINC000231880127 342741485 /nfs/dbraw/zinc/74/14/85/342741485.db2.gz ZGVNLBQKWMYLMS-UHFFFAOYSA-N 0 3 224.348 3.225 20 0 BGADHN c1cc(CNC2CCC3(CCCC3)CC2)on1 ZINC000231881153 357628823 /nfs/dbraw/zinc/62/88/23/357628823.db2.gz SNHWPMXHDLSEJR-UHFFFAOYSA-N 0 3 234.343 3.267 20 0 BGADHN CC1(C)CCC[C@@H](NCc2ccno2)CC1 ZINC000231881579 487486869 /nfs/dbraw/zinc/48/68/69/487486869.db2.gz NDBDLOYLQUEQQS-LLVKDONJSA-N 0 3 222.332 3.123 20 0 BGADHN CC1(C)CCC[C@H](NCc2ccno2)CC1 ZINC000231881580 487487131 /nfs/dbraw/zinc/48/71/31/487487131.db2.gz NDBDLOYLQUEQQS-NSHDSACASA-N 0 3 222.332 3.123 20 0 BGADHN CC(C)[C@@H](CNCc1ccno1)c1ccccc1 ZINC000231881807 342742870 /nfs/dbraw/zinc/74/28/70/342742870.db2.gz FWIYZEFWOQMLLE-OAHLLOKOSA-N 0 3 244.338 3.204 20 0 BGADHN CC(C)[C@H](CNCc1ccno1)c1ccccc1 ZINC000231881808 342742885 /nfs/dbraw/zinc/74/28/85/342742885.db2.gz FWIYZEFWOQMLLE-HNNXBMFYSA-N 0 3 244.338 3.204 20 0 BGADHN CCCC1CCC(NCc2ccno2)CC1 ZINC000231881980 342742865 /nfs/dbraw/zinc/74/28/65/342742865.db2.gz FQXBFSGZAUHESF-UHFFFAOYSA-N 0 3 222.332 3.123 20 0 BGADHN CC1(C)CC(NCc2ccno2)CC(C)(C)C1 ZINC000231882469 342742731 /nfs/dbraw/zinc/74/27/31/342742731.db2.gz DALFNKDGBILNNK-UHFFFAOYSA-N 0 3 236.359 3.369 20 0 BGADHN CC(C)(C)C1CCC(NCc2ccno2)CC1 ZINC000231882533 342742836 /nfs/dbraw/zinc/74/28/36/342742836.db2.gz COBMZRXVLRZZLF-UHFFFAOYSA-N 0 3 236.359 3.369 20 0 BGADHN CC[C@@H]1CCC[C@@H](NCc2ccno2)CC1 ZINC000231882957 487486025 /nfs/dbraw/zinc/48/60/25/487486025.db2.gz IVAKJSALUZZOGN-VXGBXAGGSA-N 0 3 222.332 3.123 20 0 BGADHN CC[C@H]1CCC[C@@H](NCc2ccno2)CC1 ZINC000231882960 487486362 /nfs/dbraw/zinc/48/63/62/487486362.db2.gz IVAKJSALUZZOGN-NWDGAFQWSA-N 0 3 222.332 3.123 20 0 BGADHN CC[C@@H]1CCC[C@H](NCc2ccno2)CC1 ZINC000231882961 487486085 /nfs/dbraw/zinc/48/60/85/487486085.db2.gz IVAKJSALUZZOGN-NEPJUHHUSA-N 0 3 222.332 3.123 20 0 BGADHN CC[C@H]1CCC[C@H](NCc2ccno2)CC1 ZINC000231882964 487485874 /nfs/dbraw/zinc/48/58/74/487485874.db2.gz IVAKJSALUZZOGN-RYUDHWBXSA-N 0 3 222.332 3.123 20 0 BGADHN CC(C)C[C@@H]1CCC[C@@H](NCc2ccno2)C1 ZINC000231883262 487486350 /nfs/dbraw/zinc/48/63/50/487486350.db2.gz LEARANXWOVRAFA-QWHCGFSZSA-N 0 3 236.359 3.369 20 0 BGADHN CC(C)C[C@H]1CCC[C@@H](NCc2ccno2)C1 ZINC000231883265 487486016 /nfs/dbraw/zinc/48/60/16/487486016.db2.gz LEARANXWOVRAFA-CHWSQXEVSA-N 0 3 236.359 3.369 20 0 BGADHN CC(C)C[C@@H]1CCC[C@H](NCc2ccno2)C1 ZINC000231883268 487486004 /nfs/dbraw/zinc/48/60/04/487486004.db2.gz LEARANXWOVRAFA-STQMWFEESA-N 0 3 236.359 3.369 20 0 BGADHN CC(C)C[C@H]1CCC[C@H](NCc2ccno2)C1 ZINC000231883271 487485896 /nfs/dbraw/zinc/48/58/96/487485896.db2.gz LEARANXWOVRAFA-OLZOCXBDSA-N 0 3 236.359 3.369 20 0 BGADHN C[C@@H]1CC[C@@H](NCc2cc(F)c(F)cc2F)C1 ZINC000232180838 357652956 /nfs/dbraw/zinc/65/29/56/357652956.db2.gz CZVFWUVXGPCKNV-PSASIEDQSA-N 0 3 243.272 3.382 20 0 BGADHN C[C@H]1CC[C@@H](NCc2cc(F)c(F)cc2F)C1 ZINC000232180841 357652888 /nfs/dbraw/zinc/65/28/88/357652888.db2.gz CZVFWUVXGPCKNV-WCBMZHEXSA-N 0 3 243.272 3.382 20 0 BGADHN C[C@@H]1CC[C@H](NCc2cc(F)c(F)cc2F)C1 ZINC000232180843 357652700 /nfs/dbraw/zinc/65/27/00/357652700.db2.gz CZVFWUVXGPCKNV-SCZZXKLOSA-N 0 3 243.272 3.382 20 0 BGADHN C[C@H]1CC[C@H](NCc2cc(F)c(F)cc2F)C1 ZINC000232180846 357652802 /nfs/dbraw/zinc/65/28/02/357652802.db2.gz CZVFWUVXGPCKNV-WPRPVWTQSA-N 0 3 243.272 3.382 20 0 BGADHN C[C@@H]1CC[C@@H](NCc2ncc(Cl)s2)C1 ZINC000232180926 357652839 /nfs/dbraw/zinc/65/28/39/357652839.db2.gz CQBFHNZIWKCAJN-HTQZYQBOSA-N 0 3 230.764 3.075 20 0 BGADHN C[C@H]1CC[C@@H](NCc2ncc(Cl)s2)C1 ZINC000232180927 357652884 /nfs/dbraw/zinc/65/28/84/357652884.db2.gz CQBFHNZIWKCAJN-JGVFFNPUSA-N 0 3 230.764 3.075 20 0 BGADHN C[C@@H]1CC[C@H](NCc2ncc(Cl)s2)C1 ZINC000232180930 357653016 /nfs/dbraw/zinc/65/30/16/357653016.db2.gz CQBFHNZIWKCAJN-SFYZADRCSA-N 0 3 230.764 3.075 20 0 BGADHN C[C@H]1CC[C@H](NCc2ncc(Cl)s2)C1 ZINC000232180933 357653011 /nfs/dbraw/zinc/65/30/11/357653011.db2.gz CQBFHNZIWKCAJN-YUMQZZPRSA-N 0 3 230.764 3.075 20 0 BGADHN CCOC(C)(C)CNCc1cc(C)ccc1F ZINC000232185923 170312219 /nfs/dbraw/zinc/31/22/19/170312219.db2.gz KHLAYBMGHXCTQW-UHFFFAOYSA-N 0 3 239.334 3.039 20 0 BGADHN C[C@@H](C[NH2+]Cc1ccc([O-])c(F)c1)C(C)(C)C ZINC000232423259 641276303 /nfs/dbraw/zinc/27/63/03/641276303.db2.gz LSUYBGOEAXIJGA-JTQLQIEISA-N 0 3 239.334 3.303 20 0 BGADHN C[C@H](C[NH2+]Cc1ccc([O-])c(F)c1)C(C)(C)C ZINC000232423261 641276277 /nfs/dbraw/zinc/27/62/77/641276277.db2.gz LSUYBGOEAXIJGA-SNVBAGLBSA-N 0 3 239.334 3.303 20 0 BGADHN C/C=C/CNCc1cc(Br)cs1 ZINC000232464381 352716997 /nfs/dbraw/zinc/71/69/97/352716997.db2.gz XBUOYCXVXKIVTI-NSCUHMNNSA-N 0 3 246.173 3.176 20 0 BGADHN C/C=C/CNCc1ccc(Br)cc1 ZINC000232464524 352716935 /nfs/dbraw/zinc/71/69/35/352716935.db2.gz DHHAIQCVMYOISR-NSCUHMNNSA-N 0 3 240.144 3.115 20 0 BGADHN C/C=C/CNCc1ccc(Br)s1 ZINC000232464540 352716750 /nfs/dbraw/zinc/71/67/50/352716750.db2.gz WGRFBFYZZOXRDS-NSCUHMNNSA-N 0 3 246.173 3.176 20 0 BGADHN C/C=C/CNCc1ccc(Cl)s1 ZINC000232464663 352716829 /nfs/dbraw/zinc/71/68/29/352716829.db2.gz GUVNYTKOKKEBLM-NSCUHMNNSA-N 0 3 201.722 3.067 20 0 BGADHN C/C=C/CNCc1ccc(F)c(Cl)c1 ZINC000232464685 352716856 /nfs/dbraw/zinc/71/68/56/352716856.db2.gz VSUDRDPWJIDVQX-NSCUHMNNSA-N 0 3 213.683 3.145 20 0 BGADHN C/C=C/CNCc1cccc(Br)c1 ZINC000232464776 352717452 /nfs/dbraw/zinc/71/74/52/352717452.db2.gz HVEGKGMVMBAQNK-NSCUHMNNSA-N 0 3 240.144 3.115 20 0 BGADHN C/C=C/CNCc1ccccc1C(F)(F)F ZINC000232464995 350659672 /nfs/dbraw/zinc/65/96/72/350659672.db2.gz VONLUPRBRYOVIW-NSCUHMNNSA-N 0 3 229.245 3.371 20 0 BGADHN C/C=C/CN[C@@H]1CCCc2sccc21 ZINC000232467333 352721615 /nfs/dbraw/zinc/72/16/15/352721615.db2.gz PVBOOPFIZNEZFM-KXMPLOMGSA-N 0 3 207.342 3.291 20 0 BGADHN C/C=C/CN[C@H]1CCCc2sccc21 ZINC000232468985 352724076 /nfs/dbraw/zinc/72/40/76/352724076.db2.gz PVBOOPFIZNEZFM-VUDBWIFFSA-N 0 3 207.342 3.291 20 0 BGADHN c1cc(C2CC2)ccc1CNCCOCC1CC1 ZINC000232482399 136270865 /nfs/dbraw/zinc/27/08/65/136270865.db2.gz NTDDVIOFRZEBOR-UHFFFAOYSA-N 0 3 245.366 3.080 20 0 BGADHN c1cc(CNCCOCC2CC2)cc(C2CC2)c1 ZINC000232482493 136270913 /nfs/dbraw/zinc/27/09/13/136270913.db2.gz SNDSBWTYTOAJQE-UHFFFAOYSA-N 0 3 245.366 3.080 20 0 BGADHN CC(C)C1CC(NCc2cc(F)ccc2F)C1 ZINC000232537965 259655532 /nfs/dbraw/zinc/65/55/32/259655532.db2.gz JTLPMTLRDJTHMF-UHFFFAOYSA-N 0 3 239.309 3.489 20 0 BGADHN Cc1ccc(CNC2CC(C(C)C)C2)o1 ZINC000232538007 541372812 /nfs/dbraw/zinc/37/28/12/541372812.db2.gz NOHFSESDAKXTIV-UHFFFAOYSA-N 0 3 207.317 3.112 20 0 BGADHN CC(C)C1CC(NCc2ccc(F)cc2F)C1 ZINC000232538044 388852707 /nfs/dbraw/zinc/85/27/07/388852707.db2.gz BLKWKCRGEMPVEA-UHFFFAOYSA-N 0 3 239.309 3.489 20 0 BGADHN CC(C)C1CC(NCc2ccccc2F)C1 ZINC000232538162 388852714 /nfs/dbraw/zinc/85/27/14/388852714.db2.gz YWXOECCYOSZTBA-UHFFFAOYSA-N 0 3 221.319 3.350 20 0 BGADHN CC(C)C1CC(N[C@@H](C)c2ccccn2)C1 ZINC000232538792 259655671 /nfs/dbraw/zinc/65/56/71/259655671.db2.gz NXSZSIQIAZEEHC-HIFPTAJRSA-N 0 3 218.344 3.167 20 0 BGADHN CC(C)C1CC(N[C@@H](C)c2nccs2)C1 ZINC000232538839 388853310 /nfs/dbraw/zinc/85/33/10/388853310.db2.gz ZMMPFBJJIGNRAU-WHXUTIOJSA-N 0 3 224.373 3.228 20 0 BGADHN CC(C)C1CC(N[C@H](C)c2ccccn2)C1 ZINC000232539623 259655730 /nfs/dbraw/zinc/65/57/30/259655730.db2.gz NXSZSIQIAZEEHC-PNESKVBLSA-N 0 3 218.344 3.167 20 0 BGADHN CC(C)C1(CN[C@H]2COCc3ccccc32)CC1 ZINC000232548988 537801115 /nfs/dbraw/zinc/80/11/15/537801115.db2.gz IENYSDVCZBBOEC-HNNXBMFYSA-N 0 3 245.366 3.284 20 0 BGADHN CC(C)=CCNCc1c(C)cccc1C ZINC000232612632 388854013 /nfs/dbraw/zinc/85/40/13/388854013.db2.gz BIXZVLLFHXJXBF-UHFFFAOYSA-N 0 3 203.329 3.359 20 0 BGADHN CC(C)=CCNCc1c[nH]nc1-c1cccs1 ZINC000232613297 357669635 /nfs/dbraw/zinc/66/96/35/357669635.db2.gz SPMRWCWDWXYLJG-UHFFFAOYSA-N 0 3 247.367 3.194 20 0 BGADHN CC(C)=CCNCc1cc(C)c(O)c(C)c1 ZINC000232613761 187326213 /nfs/dbraw/zinc/32/62/13/187326213.db2.gz JESUIYARWKNEGC-UHFFFAOYSA-N 0 3 219.328 3.065 20 0 BGADHN CC(C)=CCNCc1cc(C)cc(C)c1 ZINC000232613805 388854422 /nfs/dbraw/zinc/85/44/22/388854422.db2.gz HPGDWJGFXFBCDV-UHFFFAOYSA-N 0 3 203.329 3.359 20 0 BGADHN CC(C)=CCNCc1cc(C)ccc1C ZINC000232613855 388855006 /nfs/dbraw/zinc/85/50/06/388855006.db2.gz TZULJZLMNYWPSG-UHFFFAOYSA-N 0 3 203.329 3.359 20 0 BGADHN CC(C)=CCNCc1cc(C)sc1C ZINC000232614009 541372784 /nfs/dbraw/zinc/37/27/84/541372784.db2.gz CNNRSRIKEJHPPN-UHFFFAOYSA-N 0 3 209.358 3.421 20 0 BGADHN CC(C)=CCNCc1ccc(C)c(C)c1 ZINC000232615053 388854467 /nfs/dbraw/zinc/85/44/67/388854467.db2.gz BSFMIYDMBOZNSO-UHFFFAOYSA-N 0 3 203.329 3.359 20 0 BGADHN CC(C)=CCNCc1ccc(C)cc1C ZINC000232615169 388854673 /nfs/dbraw/zinc/85/46/73/388854673.db2.gz XQAHGWFTHPPGMN-UHFFFAOYSA-N 0 3 203.329 3.359 20 0 BGADHN CC(C)=CCNCc1cccc(C)c1C ZINC000232616948 388855088 /nfs/dbraw/zinc/85/50/88/388855088.db2.gz MDGDNONPWBCBQW-UHFFFAOYSA-N 0 3 203.329 3.359 20 0 BGADHN CC(C)=CCNCc1cccc2c1OC(C)(C)C2 ZINC000232617403 388854528 /nfs/dbraw/zinc/85/45/28/388854528.db2.gz OYMYTECUXMRZFQ-UHFFFAOYSA-N 0 3 245.366 3.456 20 0 BGADHN CC(C)=CCNCc1cccc2cc[nH]c21 ZINC000232617476 385883293 /nfs/dbraw/zinc/88/32/93/385883293.db2.gz OPOBZIOQUURQAO-UHFFFAOYSA-N 0 3 214.312 3.224 20 0 BGADHN CC(C)=CCNCc1ccnc2ccccc12 ZINC000232618176 342868028 /nfs/dbraw/zinc/86/80/28/342868028.db2.gz LRNHISUQIWJASF-UHFFFAOYSA-N 0 3 226.323 3.291 20 0 BGADHN CC(C)=CCN[C@@H]1CCc2c1cccc2F ZINC000232627864 388854643 /nfs/dbraw/zinc/85/46/43/388854643.db2.gz VIEZCNDSEBQYRB-CQSZACIVSA-N 0 3 219.303 3.369 20 0 BGADHN CC(C)=CCN[C@H]1CCc2c1cccc2F ZINC000232631689 388853950 /nfs/dbraw/zinc/85/39/50/388853950.db2.gz VIEZCNDSEBQYRB-AWEZNQCLSA-N 0 3 219.303 3.369 20 0 BGADHN CC(C)CNCc1cc(F)ccc1OC(F)F ZINC000232655435 487623452 /nfs/dbraw/zinc/62/34/52/487623452.db2.gz WCZDSOIGXKSTBC-UHFFFAOYSA-N 0 3 247.260 3.173 20 0 BGADHN Cc1ccc(CNCCOC(C)C)c(Cl)c1 ZINC000232674886 487631106 /nfs/dbraw/zinc/63/11/06/487631106.db2.gz GSFBHVJINRXYGK-UHFFFAOYSA-N 0 3 241.762 3.163 20 0 BGADHN CC(C)C1(CNCc2ccncc2Cl)CC1 ZINC000232690603 387194767 /nfs/dbraw/zinc/19/47/67/387194767.db2.gz DBXCXOFAYPLPRJ-UHFFFAOYSA-N 0 3 238.762 3.261 20 0 BGADHN Cc1nc(CNCC2(C(C)C)CC2)sc1C ZINC000232691702 487634694 /nfs/dbraw/zinc/63/46/94/487634694.db2.gz DCSQREWGTIHIRI-UHFFFAOYSA-N 0 3 238.400 3.286 20 0 BGADHN CC(C)[C@@H](CO)N[C@@H](C)c1csc(Cl)c1 ZINC000232695081 363379725 /nfs/dbraw/zinc/37/97/25/363379725.db2.gz FFFIPBGMQLBBGB-WCBMZHEXSA-N 0 3 247.791 3.069 20 0 BGADHN CC(C)[C@@H](CO)N[C@H](C)c1csc(Cl)c1 ZINC000232696703 363380005 /nfs/dbraw/zinc/38/00/05/363380005.db2.gz FFFIPBGMQLBBGB-PSASIEDQSA-N 0 3 247.791 3.069 20 0 BGADHN CC(C)[C@H](CNCc1ccon1)c1ccccc1 ZINC000232711453 537804231 /nfs/dbraw/zinc/80/42/31/537804231.db2.gz VOJQRTZVQNFRKJ-HNNXBMFYSA-N 0 3 244.338 3.204 20 0 BGADHN CC(C)[C@@H](CNCc1ccon1)c1ccccc1 ZINC000232721749 537805563 /nfs/dbraw/zinc/80/55/63/537805563.db2.gz VOJQRTZVQNFRKJ-OAHLLOKOSA-N 0 3 244.338 3.204 20 0 BGADHN CC(C)[C@H](CO)N[C@@H](C)c1csc(Cl)c1 ZINC000232763903 363384402 /nfs/dbraw/zinc/38/44/02/363384402.db2.gz FFFIPBGMQLBBGB-WPRPVWTQSA-N 0 3 247.791 3.069 20 0 BGADHN CC(C)[C@H](CO)N[C@H](C)c1csc(Cl)c1 ZINC000232765479 363384181 /nfs/dbraw/zinc/38/41/81/363384181.db2.gz FFFIPBGMQLBBGB-SCZZXKLOSA-N 0 3 247.791 3.069 20 0 BGADHN CC1(C)C[C@@H]1N[C@@H]1CCCc2ccc(O)cc21 ZINC000232791601 357684485 /nfs/dbraw/zinc/68/44/85/357684485.db2.gz WYULEZGBHIBQNP-KGLIPLIRSA-N 0 3 231.339 3.158 20 0 BGADHN CC1(C)C[C@@H]1N[C@H]1CCCc2ccc(O)cc21 ZINC000232792136 357684476 /nfs/dbraw/zinc/68/44/76/357684476.db2.gz WYULEZGBHIBQNP-KBPBESRZSA-N 0 3 231.339 3.158 20 0 BGADHN CCC(=O)CCCN(C)Cc1ccc(C)cc1 ZINC000232840660 168199180 /nfs/dbraw/zinc/19/91/80/168199180.db2.gz WLHSIDVLVSUUBM-UHFFFAOYSA-N 0 3 233.355 3.186 20 0 BGADHN CCC(=O)CCCN(C)Cc1ccc(F)cc1 ZINC000232840897 357685561 /nfs/dbraw/zinc/68/55/61/357685561.db2.gz LHXPDHZJWGSIKV-UHFFFAOYSA-N 0 3 237.318 3.017 20 0 BGADHN CCC(=O)CCCN(C)Cc1cccc(C)c1 ZINC000232841227 168199293 /nfs/dbraw/zinc/19/92/93/168199293.db2.gz RUGHUTUJGUWFBU-UHFFFAOYSA-N 0 3 233.355 3.186 20 0 BGADHN CCC(=O)CCCN(C)Cc1cccc(F)c1 ZINC000232841393 168199132 /nfs/dbraw/zinc/19/91/32/168199132.db2.gz XHRKEHPXSDAAKG-UHFFFAOYSA-N 0 3 237.318 3.017 20 0 BGADHN CCC(=O)CCCN(C)Cc1ccccc1C ZINC000232841539 168198043 /nfs/dbraw/zinc/19/80/43/168198043.db2.gz TUKHZFFCINLCCK-UHFFFAOYSA-N 0 3 233.355 3.186 20 0 BGADHN CCC(=O)CCCN1CCCc2ccccc2C1 ZINC000232869375 168198064 /nfs/dbraw/zinc/19/80/64/168198064.db2.gz MXXZRGLFWPXXPQ-UHFFFAOYSA-N 0 3 245.366 3.194 20 0 BGADHN CC1(CNCc2ccn(C3CCCC3)n2)CCC1 ZINC000232901854 541374422 /nfs/dbraw/zinc/37/44/22/541374422.db2.gz LNJFICQGVYGESB-UHFFFAOYSA-N 0 3 247.386 3.278 20 0 BGADHN CCC(C)(C)CNCc1cccc(F)c1F ZINC000232914089 342891887 /nfs/dbraw/zinc/89/18/87/342891887.db2.gz ZSVGGNIWHLOVPJ-UHFFFAOYSA-N 0 3 227.298 3.491 20 0 BGADHN CCC(C)(C)CNCc1ccncc1Cl ZINC000232916159 324011057 /nfs/dbraw/zinc/01/10/57/324011057.db2.gz KULNBJFRPNLHRR-UHFFFAOYSA-N 0 3 226.751 3.261 20 0 BGADHN CCC(C)(C)CNCc1ncc(Cl)s1 ZINC000232918202 363388851 /nfs/dbraw/zinc/38/88/51/363388851.db2.gz FTJMSVVZBLRFGO-UHFFFAOYSA-N 0 3 232.780 3.322 20 0 BGADHN CCC(C)(C)CNCc1cnc2ccccc2n1 ZINC000232922073 487669452 /nfs/dbraw/zinc/66/94/52/487669452.db2.gz UEWPFGURWNDSTI-UHFFFAOYSA-N 0 3 243.354 3.156 20 0 BGADHN CC1(CN[C@@H]2COCc3ccccc32)CCC1 ZINC000232922371 535157312 /nfs/dbraw/zinc/15/73/12/535157312.db2.gz LWXRRLDTTPMGKY-CQSZACIVSA-N 0 3 231.339 3.038 20 0 BGADHN CCCCCCNCc1ncc(C)s1 ZINC000232930836 363388757 /nfs/dbraw/zinc/38/87/57/363388757.db2.gz CEOSZASRIVDXGO-UHFFFAOYSA-N 0 3 212.362 3.121 20 0 BGADHN CC1(CN[C@H]2COCc3ccccc32)CCC1 ZINC000232936462 541375060 /nfs/dbraw/zinc/37/50/60/541375060.db2.gz LWXRRLDTTPMGKY-AWEZNQCLSA-N 0 3 231.339 3.038 20 0 BGADHN CC1(CNCc2ccncc2Cl)CCC1 ZINC000232949230 325170274 /nfs/dbraw/zinc/17/02/74/325170274.db2.gz OKWNRQUZESVDHM-UHFFFAOYSA-N 0 3 224.735 3.015 20 0 BGADHN CC1(C)C[C@H]1N[C@@H]1CCCc2ccc(O)cc21 ZINC000232970896 357695786 /nfs/dbraw/zinc/69/57/86/357695786.db2.gz WYULEZGBHIBQNP-ZIAGYGMSSA-N 0 3 231.339 3.158 20 0 BGADHN CC1(C)C[C@H]1N[C@H]1CCCc2ccc(O)cc21 ZINC000232971385 357696140 /nfs/dbraw/zinc/69/61/40/357696140.db2.gz WYULEZGBHIBQNP-UONOGXRCSA-N 0 3 231.339 3.158 20 0 BGADHN CCC(C)(C)CN[C@@H](C)c1ccc(F)cn1 ZINC000232972462 168281710 /nfs/dbraw/zinc/28/17/10/168281710.db2.gz RUWUQHVTAAHZGI-JTQLQIEISA-N 0 3 224.323 3.308 20 0 BGADHN CCC(C)(C)CN[C@@H](C)c1cscn1 ZINC000232974859 342892309 /nfs/dbraw/zinc/89/23/09/342892309.db2.gz ILZXLICVLYKDIB-VIFPVBQESA-N 0 3 212.362 3.230 20 0 BGADHN CCCC1(CNCc2ccncc2Cl)CC1 ZINC000232993203 355230659 /nfs/dbraw/zinc/23/06/59/355230659.db2.gz YFGJXMUVFBAGKU-UHFFFAOYSA-N 0 3 238.762 3.405 20 0 BGADHN CCC(C)(C)CN[C@H](C)c1ccc(F)cn1 ZINC000232993889 168282312 /nfs/dbraw/zinc/28/23/12/168282312.db2.gz RUWUQHVTAAHZGI-SNVBAGLBSA-N 0 3 224.323 3.308 20 0 BGADHN CCCC1(CNCc2nc(C)c(C)s2)CC1 ZINC000232994642 635520524 /nfs/dbraw/zinc/52/05/24/635520524.db2.gz QQHAQFIHCSBVDS-UHFFFAOYSA-N 0 3 238.400 3.430 20 0 BGADHN CCC(C)(C)CN[C@H](C)c1cscn1 ZINC000232995623 342891416 /nfs/dbraw/zinc/89/14/16/342891416.db2.gz ILZXLICVLYKDIB-SECBINFHSA-N 0 3 212.362 3.230 20 0 BGADHN CCC1(CNCc2ccc(OC)cc2F)CC1 ZINC000233060430 353798964 /nfs/dbraw/zinc/79/89/64/353798964.db2.gz HDCIKFJFWUQFLK-UHFFFAOYSA-N 0 3 237.318 3.114 20 0 BGADHN CCC1(CNCc2ccncc2Cl)CC1 ZINC000233063175 325176655 /nfs/dbraw/zinc/17/66/55/325176655.db2.gz YSWVXFJRCHVHHI-UHFFFAOYSA-N 0 3 224.735 3.015 20 0 BGADHN CCC1(CNCc2ccncc2Cl)CCC1 ZINC000233063186 323102735 /nfs/dbraw/zinc/10/27/35/323102735.db2.gz PIXJIHFGOSUVCL-UHFFFAOYSA-N 0 3 238.762 3.405 20 0 BGADHN CCC[C@@H]1C[C@H]1N[C@@H](COC)c1ccccc1 ZINC000233309536 388345535 /nfs/dbraw/zinc/34/55/35/388345535.db2.gz UKLMIMFUBKUCQX-KFWWJZLASA-N 0 3 233.355 3.152 20 0 BGADHN CCC(=O)CCCN(CC)Cc1ccccc1 ZINC000233433771 353819395 /nfs/dbraw/zinc/81/93/95/353819395.db2.gz CEEFUWXJKKDRQM-UHFFFAOYSA-N 0 3 233.355 3.268 20 0 BGADHN CCC(=O)CCCN(CC)Cc1cccs1 ZINC000233433851 363401216 /nfs/dbraw/zinc/40/12/16/363401216.db2.gz SRRDPEOFNBWIKD-UHFFFAOYSA-N 0 3 239.384 3.329 20 0 BGADHN CCOCCCNCc1ccc(C)cc1Cl ZINC000233721788 350683438 /nfs/dbraw/zinc/68/34/38/350683438.db2.gz KPWJHYHORFCVBQ-UHFFFAOYSA-N 0 3 241.762 3.165 20 0 BGADHN CCOC[C@@H](NCc1ccc(Cl)o1)C(C)C ZINC000233735195 357741484 /nfs/dbraw/zinc/74/14/84/357741484.db2.gz QJMYVBFASRDGJZ-LLVKDONJSA-N 0 3 245.750 3.084 20 0 BGADHN CCOC[C@@H](C)NCc1ccc(C)c(Cl)c1 ZINC000233735828 134567046 /nfs/dbraw/zinc/56/70/46/134567046.db2.gz GHWVOBCETIGTQD-LLVKDONJSA-N 0 3 241.762 3.163 20 0 BGADHN CCOC[C@H](C)NCc1ccc(C)c(Cl)c1 ZINC000233766816 357744638 /nfs/dbraw/zinc/74/46/38/357744638.db2.gz GHWVOBCETIGTQD-NSHDSACASA-N 0 3 241.762 3.163 20 0 BGADHN CCOC[C@H](C)NCc1ccc(C)cc1Cl ZINC000233766850 342912417 /nfs/dbraw/zinc/91/24/17/342912417.db2.gz CMUXOBBWLRSRTQ-NSHDSACASA-N 0 3 241.762 3.163 20 0 BGADHN CCOC[C@H](NCc1ccc(Cl)o1)C(C)C ZINC000233778787 357747333 /nfs/dbraw/zinc/74/73/33/357747333.db2.gz QJMYVBFASRDGJZ-NSHDSACASA-N 0 3 245.750 3.084 20 0 BGADHN CC[C@@H](C)CNCc1cc(F)c(F)cc1F ZINC000233824491 357756823 /nfs/dbraw/zinc/75/68/23/357756823.db2.gz KPHGHGDARZYCLN-MRVPVSSYSA-N 0 3 231.261 3.240 20 0 BGADHN CC[C@@H](COC)NCc1ccc(C)cc1Cl ZINC000233880837 342913272 /nfs/dbraw/zinc/91/32/72/342913272.db2.gz FFBGHLZYHNLGFH-LBPRGKRZSA-N 0 3 241.762 3.163 20 0 BGADHN C=Cn1cc(CN[C@H](CC)c2ccccc2)cn1 ZINC000233889423 384895947 /nfs/dbraw/zinc/89/59/47/384895947.db2.gz BXSWOMJQQREESZ-OAHLLOKOSA-N 0 3 241.338 3.225 20 0 BGADHN CC[C@@H](N[C@@H](C)c1ccnn1C)c1ccccc1 ZINC000233895003 350686490 /nfs/dbraw/zinc/68/64/90/350686490.db2.gz DLXAFVCEFJYYOQ-GXTWGEPZSA-N 0 3 243.354 3.222 20 0 BGADHN CC[C@@H](N[C@H](C)c1ccnn1C)c1ccccc1 ZINC000233896874 350687197 /nfs/dbraw/zinc/68/71/97/350687197.db2.gz DLXAFVCEFJYYOQ-TZMCWYRMSA-N 0 3 243.354 3.222 20 0 BGADHN CC[C@@H](NCC=C(C)C)c1ccc(F)cn1 ZINC000233904666 357762377 /nfs/dbraw/zinc/76/23/77/357762377.db2.gz QFVWGDHLLBAWRE-GFCCVEGCSA-N 0 3 222.307 3.228 20 0 BGADHN CC[C@H](C)CNCc1cc(F)c(F)cc1F ZINC000233998243 357765000 /nfs/dbraw/zinc/76/50/00/357765000.db2.gz KPHGHGDARZYCLN-QMMMGPOBSA-N 0 3 231.261 3.240 20 0 BGADHN CC[C@H](COC)NCc1ccc(C)cc1Cl ZINC000234018448 342916973 /nfs/dbraw/zinc/91/69/73/342916973.db2.gz FFBGHLZYHNLGFH-GFCCVEGCSA-N 0 3 241.762 3.163 20 0 BGADHN CC[C@H](N[C@H](C)c1ccnn1C)c1ccccc1 ZINC000234029268 386020682 /nfs/dbraw/zinc/02/06/82/386020682.db2.gz DLXAFVCEFJYYOQ-OCCSQVGLSA-N 0 3 243.354 3.222 20 0 BGADHN CC[C@H](NCC=C(C)C)c1ccc(F)cn1 ZINC000234037115 357768197 /nfs/dbraw/zinc/76/81/97/357768197.db2.gz QFVWGDHLLBAWRE-LBPRGKRZSA-N 0 3 222.307 3.228 20 0 BGADHN C=Cn1cc(CN[C@@H](CC)c2ccccc2)cn1 ZINC000234044154 187257776 /nfs/dbraw/zinc/25/77/76/187257776.db2.gz BXSWOMJQQREESZ-HNNXBMFYSA-N 0 3 241.338 3.225 20 0 BGADHN CC[C@H](N[C@@H](C)c1ccnn1C)c1ccccc1 ZINC000234057219 386024683 /nfs/dbraw/zinc/02/46/83/386024683.db2.gz DLXAFVCEFJYYOQ-JSGCOSHPSA-N 0 3 243.354 3.222 20 0 BGADHN CCc1ccc(CNCC(C)(C)CC)o1 ZINC000234158432 388354607 /nfs/dbraw/zinc/35/46/07/388354607.db2.gz YSTWXSSRVVNITE-UHFFFAOYSA-N 0 3 209.333 3.368 20 0 BGADHN CCc1cnc(CNC2CC(C(C)C)C2)s1 ZINC000234218146 350692684 /nfs/dbraw/zinc/69/26/84/350692684.db2.gz UCANCWDEVVOSIF-UHFFFAOYSA-N 0 3 238.400 3.230 20 0 BGADHN COC(C)(C)CNCc1ccc(C)cc1Cl ZINC000234595889 342930652 /nfs/dbraw/zinc/93/06/52/342930652.db2.gz NYXDHPOGQZMTLD-UHFFFAOYSA-N 0 3 241.762 3.163 20 0 BGADHN COCC(C)(C)NCc1ccc(C)cc1Cl ZINC000234609294 490140334 /nfs/dbraw/zinc/14/03/34/490140334.db2.gz LLZPLZBIPGOMSC-UHFFFAOYSA-N 0 3 241.762 3.163 20 0 BGADHN COC[C@@H](C)CNCc1ccc(C)cc1Cl ZINC000234671739 342933488 /nfs/dbraw/zinc/93/34/88/342933488.db2.gz YKLDDFJHZQIQQT-NSHDSACASA-N 0 3 241.762 3.021 20 0 BGADHN COCC[C@H](C)NCc1ccc(C)cc1Cl ZINC000234679665 342933502 /nfs/dbraw/zinc/93/35/02/342933502.db2.gz JRVJSKQNIGYFHL-NSHDSACASA-N 0 3 241.762 3.163 20 0 BGADHN COCC[C@@H](C)NCc1ccc(C)cc1Cl ZINC000234682499 342933492 /nfs/dbraw/zinc/93/34/92/342933492.db2.gz JRVJSKQNIGYFHL-LLVKDONJSA-N 0 3 241.762 3.163 20 0 BGADHN COC[C@H](C)CNCc1ccc(C)cc1Cl ZINC000234705724 342939493 /nfs/dbraw/zinc/93/94/93/342939493.db2.gz YKLDDFJHZQIQQT-LLVKDONJSA-N 0 3 241.762 3.021 20 0 BGADHN COCCCCNCc1ccc(C)cc1Cl ZINC000234723840 388359196 /nfs/dbraw/zinc/35/91/96/388359196.db2.gz SHEUUWITMSRPMG-UHFFFAOYSA-N 0 3 241.762 3.165 20 0 BGADHN COc1ccc(C)cc1CNCC=C(C)C ZINC000234859618 386110648 /nfs/dbraw/zinc/11/06/48/386110648.db2.gz TWDZLLMWUGBGMJ-UHFFFAOYSA-N 0 3 219.328 3.059 20 0 BGADHN COc1cccc([C@@H](C)NC/C=C/Cl)c1 ZINC000234869955 175286437 /nfs/dbraw/zinc/28/64/37/175286437.db2.gz DTDJOGVRDILDHL-LJJSCBMDSA-N 0 3 225.719 3.098 20 0 BGADHN COc1ccccc1CNC1CC(C(C)C)C1 ZINC000234881861 388362605 /nfs/dbraw/zinc/36/26/05/388362605.db2.gz BVFVAHLTUSRDFZ-UHFFFAOYSA-N 0 3 233.355 3.219 20 0 BGADHN COc1cccc([C@H](C)NC/C=C/Cl)c1 ZINC000234884485 175292652 /nfs/dbraw/zinc/29/26/52/175292652.db2.gz DTDJOGVRDILDHL-QBBOHKLWSA-N 0 3 225.719 3.098 20 0 BGADHN COc1ccc(CNC(C)(C)C2CC2)c(F)c1 ZINC000234950085 386119711 /nfs/dbraw/zinc/11/97/11/386119711.db2.gz JVBCOZNMNSBZAJ-UHFFFAOYSA-N 0 3 237.318 3.113 20 0 BGADHN COc1ccc(CNCC2(C)CCC2)c(F)c1 ZINC000234956343 357837819 /nfs/dbraw/zinc/83/78/19/357837819.db2.gz SRTWYHZQIGLLAY-UHFFFAOYSA-N 0 3 237.318 3.114 20 0 BGADHN COc1cccc(CNC(C)(C)C2CC2)c1F ZINC000234985221 537883470 /nfs/dbraw/zinc/88/34/70/537883470.db2.gz GPRLUUYQNOQFIX-UHFFFAOYSA-N 0 3 237.318 3.113 20 0 BGADHN COc1cccc(CNCC2(C)CCCCC2)n1 ZINC000234987920 357842774 /nfs/dbraw/zinc/84/27/74/357842774.db2.gz RUBSBIJNPDTGCY-UHFFFAOYSA-N 0 3 248.370 3.150 20 0 BGADHN COc1ccc(CNCC2(C3CC3)CC2)c(F)c1 ZINC000235017883 342976312 /nfs/dbraw/zinc/97/63/12/342976312.db2.gz UQQKPUPRYSKUAD-UHFFFAOYSA-N 0 3 249.329 3.114 20 0 BGADHN CSCCCNCc1ccc(C)cc1Cl ZINC000235031817 259671259 /nfs/dbraw/zinc/67/12/59/259671259.db2.gz WBAXLAVJBWBOPY-UHFFFAOYSA-N 0 3 243.803 3.491 20 0 BGADHN CSC[C@@H](C)NCc1ccc(C)cc1Cl ZINC000235032214 342976432 /nfs/dbraw/zinc/97/64/32/342976432.db2.gz DGBCZZJQBUAJSM-SNVBAGLBSA-N 0 3 243.803 3.490 20 0 BGADHN CS[C@@H](C)CNCc1ccc(C)cc1Cl ZINC000235043592 342976605 /nfs/dbraw/zinc/97/66/05/342976605.db2.gz JRJQRWBVZVIVBX-JTQLQIEISA-N 0 3 243.803 3.490 20 0 BGADHN CSCCNCc1ccc(C)c(Cl)c1 ZINC000235045844 350709869 /nfs/dbraw/zinc/70/98/69/350709869.db2.gz RAWZZHDKSQPLDN-UHFFFAOYSA-N 0 3 229.776 3.101 20 0 BGADHN CSCCNCc1ccc(C)cc1Cl ZINC000235045889 344750285 /nfs/dbraw/zinc/75/02/85/344750285.db2.gz HKOAGLBDLUMXBH-UHFFFAOYSA-N 0 3 229.776 3.101 20 0 BGADHN CSC[C@H](C)NCc1ccc(C)cc1Cl ZINC000235060770 343729963 /nfs/dbraw/zinc/72/99/63/343729963.db2.gz DGBCZZJQBUAJSM-JTQLQIEISA-N 0 3 243.803 3.490 20 0 BGADHN CS[C@H](C)CNCc1ccc(C)cc1Cl ZINC000235078329 342977202 /nfs/dbraw/zinc/97/72/02/342977202.db2.gz JRJQRWBVZVIVBX-SNVBAGLBSA-N 0 3 243.803 3.490 20 0 BGADHN C[C@@H](CN(C)C)N[C@@H](C)c1csc(Cl)c1 ZINC000235116542 388365700 /nfs/dbraw/zinc/36/57/00/388365700.db2.gz VSDOZXHZPAYMBY-IUCAKERBSA-N 0 3 246.807 3.002 20 0 BGADHN C[C@@H](N[C@@H](C)CN(C)C)c1csc(Cl)c1 ZINC000235118008 388364919 /nfs/dbraw/zinc/36/49/19/388364919.db2.gz VSDOZXHZPAYMBY-DTWKUNHWSA-N 0 3 246.807 3.002 20 0 BGADHN CSc1cccc(F)c1CNC(C)C ZINC000235122162 388365166 /nfs/dbraw/zinc/36/51/66/388365166.db2.gz MHAALUWWYDCSHY-UHFFFAOYSA-N 0 3 213.321 3.046 20 0 BGADHN CSc1cccc(F)c1CNCC(C)C ZINC000235122270 363439116 /nfs/dbraw/zinc/43/91/16/363439116.db2.gz GKEVXEPKMIKUMY-UHFFFAOYSA-N 0 3 227.348 3.293 20 0 BGADHN C=Cn1cc(CN[C@H](C)c2ccc(C)s2)cn1 ZINC000235193217 632510609 /nfs/dbraw/zinc/51/06/09/632510609.db2.gz XJPVNCWJMDVGLM-LLVKDONJSA-N 0 3 247.367 3.204 20 0 BGADHN Cc1ccc([C@@H](C)N[C@@H](C)c2ccnn2C)s1 ZINC000235193787 635570122 /nfs/dbraw/zinc/57/01/22/635570122.db2.gz CQCZBRXPLCCQQB-WDEREUQCSA-N 0 3 249.383 3.202 20 0 BGADHN Cc1cccc([C@@H](C)N[C@@H](C)c2ccnn2C)c1 ZINC000235193944 388366571 /nfs/dbraw/zinc/36/65/71/388366571.db2.gz AIYYQMYGWZAPBD-OLZOCXBDSA-N 0 3 243.354 3.140 20 0 BGADHN Cc1nccnc1[C@@H](C)NCC1C(C)(C)C1(C)C ZINC000235202853 357857948 /nfs/dbraw/zinc/85/79/48/357857948.db2.gz NPABCAUMCGQLNG-LLVKDONJSA-N 0 3 247.386 3.118 20 0 BGADHN Cc1cccc([C@@H](C)NC/C=C/Cl)c1 ZINC000235205306 632523941 /nfs/dbraw/zinc/52/39/41/632523941.db2.gz UOPPSZFSQGILTK-TZOMUSMUSA-N 0 3 209.720 3.398 20 0 BGADHN C[C@@H](NC/C=C/Cl)c1ccsc1 ZINC000235205380 632525737 /nfs/dbraw/zinc/52/57/37/632525737.db2.gz CNOROPNPGGXGOQ-BYDTYLDUSA-N 0 3 201.722 3.151 20 0 BGADHN Cc1ccc([C@@H](C)N[C@H](C)c2ccnn2C)s1 ZINC000235215749 632541007 /nfs/dbraw/zinc/54/10/07/632541007.db2.gz CQCZBRXPLCCQQB-GHMZBOCLSA-N 0 3 249.383 3.202 20 0 BGADHN Cc1cccc([C@@H](C)N[C@H](C)c2ccnn2C)c1 ZINC000235215864 259342703 /nfs/dbraw/zinc/34/27/03/259342703.db2.gz AIYYQMYGWZAPBD-CHWSQXEVSA-N 0 3 243.354 3.140 20 0 BGADHN Cc1nc(CN[C@H]2CC(C)(C)C[C@H]2C)cs1 ZINC000235301857 537889139 /nfs/dbraw/zinc/88/91/39/537889139.db2.gz JFTMMPZKROTRBI-SKDRFNHKSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1nc(CN[C@@H]2CC(C)(C)C[C@H]2C)cs1 ZINC000235307509 537889070 /nfs/dbraw/zinc/88/90/70/537889070.db2.gz JFTMMPZKROTRBI-BXKDBHETSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1cnc(CN[C@@H]2C[C@H](C)CC[C@@H]2C)s1 ZINC000235341836 343010903 /nfs/dbraw/zinc/01/09/03/343010903.db2.gz IAHDZLKXZWBPEB-JFGNBEQYSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1noc(C)c1CNC[C@@H]1CC(C)=C[C@H](C)C1 ZINC000235381030 168131256 /nfs/dbraw/zinc/13/12/56/168131256.db2.gz FWWFBEXVVUZUKN-HZMBPMFUSA-N 0 3 248.370 3.373 20 0 BGADHN Cc1cc(CNC[C@@H]2CC(C)=C[C@H](C)C2)on1 ZINC000235381441 168130504 /nfs/dbraw/zinc/13/05/04/168130504.db2.gz VJXMMCVXLBZQJP-GWCFXTLKSA-N 0 3 234.343 3.065 20 0 BGADHN Cc1cc(CNC[C@@H]2CC(C)=C[C@H](C)C2)no1 ZINC000235381480 537890077 /nfs/dbraw/zinc/89/00/77/537890077.db2.gz MWZXYHAUPDKCCI-GWCFXTLKSA-N 0 3 234.343 3.065 20 0 BGADHN CC1=C[C@H](C)C[C@H](CNCc2ccco2)C1 ZINC000235383840 357859843 /nfs/dbraw/zinc/85/98/43/357859843.db2.gz OZVCFQBNKNKFPX-AAEUAGOBSA-N 0 3 219.328 3.362 20 0 BGADHN CC1=C[C@H](C)C[C@H](CNCc2nccs2)C1 ZINC000235385509 168131040 /nfs/dbraw/zinc/13/10/40/168131040.db2.gz HTDTYXVGIUBTFU-JQWIXIFHSA-N 0 3 236.384 3.225 20 0 BGADHN Cc1noc(C)c1CNC[C@H]1CC(C)=C[C@H](C)C1 ZINC000235390156 168129439 /nfs/dbraw/zinc/12/94/39/168129439.db2.gz FWWFBEXVVUZUKN-IINYFYTJSA-N 0 3 248.370 3.373 20 0 BGADHN Cc1cc(CNC[C@H]2CC(C)=C[C@H](C)C2)on1 ZINC000235390471 168130124 /nfs/dbraw/zinc/13/01/24/168130124.db2.gz VJXMMCVXLBZQJP-GXFFZTMASA-N 0 3 234.343 3.065 20 0 BGADHN Cc1cc(CNC[C@H]2CC(C)=C[C@H](C)C2)no1 ZINC000235390505 537890218 /nfs/dbraw/zinc/89/02/18/537890218.db2.gz MWZXYHAUPDKCCI-GXFFZTMASA-N 0 3 234.343 3.065 20 0 BGADHN CC1=C[C@H](C)C[C@@H](CNCc2ccco2)C1 ZINC000235392337 357860373 /nfs/dbraw/zinc/86/03/73/357860373.db2.gz OZVCFQBNKNKFPX-WCQYABFASA-N 0 3 219.328 3.362 20 0 BGADHN CC1=C[C@H](C)C[C@@H](CNCc2nccs2)C1 ZINC000235393978 168129565 /nfs/dbraw/zinc/12/95/65/168129565.db2.gz HTDTYXVGIUBTFU-CMPLNLGQSA-N 0 3 236.384 3.225 20 0 BGADHN C[C@H](CN(C)C)N[C@@H](C)c1csc(Cl)c1 ZINC000235447081 135046635 /nfs/dbraw/zinc/04/66/35/135046635.db2.gz VSDOZXHZPAYMBY-BDAKNGLRSA-N 0 3 246.807 3.002 20 0 BGADHN C[C@H](CN(C)C)N[C@H](C)c1csc(Cl)c1 ZINC000235448681 363444750 /nfs/dbraw/zinc/44/47/50/363444750.db2.gz VSDOZXHZPAYMBY-RKDXNWHRSA-N 0 3 246.807 3.002 20 0 BGADHN Cc1nccnc1[C@H](C)NCC1C(C)(C)C1(C)C ZINC000235506025 384255710 /nfs/dbraw/zinc/25/57/10/384255710.db2.gz NPABCAUMCGQLNG-NSHDSACASA-N 0 3 247.386 3.118 20 0 BGADHN C[C@H](NC/C=C/Cl)c1ccsc1 ZINC000235507828 632771490 /nfs/dbraw/zinc/77/14/90/632771490.db2.gz CNOROPNPGGXGOQ-KHVHVRLGSA-N 0 3 201.722 3.151 20 0 BGADHN Cc1ccc([C@H](C)N[C@H](C)c2ccnn2C)s1 ZINC000235518005 632773995 /nfs/dbraw/zinc/77/39/95/632773995.db2.gz CQCZBRXPLCCQQB-MNOVXSKESA-N 0 3 249.383 3.202 20 0 BGADHN Cc1cccc([C@H](C)N[C@H](C)c2ccnn2C)c1 ZINC000235518059 388370768 /nfs/dbraw/zinc/37/07/68/388370768.db2.gz AIYYQMYGWZAPBD-QWHCGFSZSA-N 0 3 243.354 3.140 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H](C)c2ccnn2C)s1 ZINC000235528544 635581112 /nfs/dbraw/zinc/58/11/12/635581112.db2.gz CQCZBRXPLCCQQB-QWRGUYRKSA-N 0 3 249.383 3.202 20 0 BGADHN Cc1cccc([C@H](C)N[C@@H](C)c2ccnn2C)c1 ZINC000235528649 388371020 /nfs/dbraw/zinc/37/10/20/388371020.db2.gz AIYYQMYGWZAPBD-STQMWFEESA-N 0 3 243.354 3.140 20 0 BGADHN C=Cn1cc(CN[C@@H](C)c2ccc(C)s2)cn1 ZINC000235534970 632777837 /nfs/dbraw/zinc/77/78/37/632777837.db2.gz XJPVNCWJMDVGLM-NSHDSACASA-N 0 3 247.367 3.204 20 0 BGADHN Cc1nc(CN[C@H]2CC(C)(C)C[C@@H]2C)cs1 ZINC000235538674 537897182 /nfs/dbraw/zinc/89/71/82/537897182.db2.gz JFTMMPZKROTRBI-CABZTGNLSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1nc(CN[C@@H]2CC(C)(C)C[C@@H]2C)cs1 ZINC000235579872 541391399 /nfs/dbraw/zinc/39/13/99/541391399.db2.gz JFTMMPZKROTRBI-JOYOIKCWSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1cnc(CN[C@@H]2C[C@@H](C)CC[C@@H]2C)s1 ZINC000235654593 343054906 /nfs/dbraw/zinc/05/49/06/343054906.db2.gz IAHDZLKXZWBPEB-JBLDHEPKSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1noc(C)c1CNC[C@@H]1CC(C)=C[C@@H](C)C1 ZINC000235669069 168125733 /nfs/dbraw/zinc/12/57/33/168125733.db2.gz FWWFBEXVVUZUKN-YGRLFVJLSA-N 0 3 248.370 3.373 20 0 BGADHN Cc1cc(CNC[C@@H]2CC(C)=C[C@@H](C)C2)on1 ZINC000235669261 168124975 /nfs/dbraw/zinc/12/49/75/168124975.db2.gz VJXMMCVXLBZQJP-MFKMUULPSA-N 0 3 234.343 3.065 20 0 BGADHN Cc1cc(CNC[C@@H]2CC(C)=C[C@@H](C)C2)no1 ZINC000235669283 537902397 /nfs/dbraw/zinc/90/23/97/537902397.db2.gz MWZXYHAUPDKCCI-MFKMUULPSA-N 0 3 234.343 3.065 20 0 BGADHN CC1=C[C@@H](C)C[C@H](CNCc2ccco2)C1 ZINC000235670784 357926993 /nfs/dbraw/zinc/92/69/93/357926993.db2.gz OZVCFQBNKNKFPX-YPMHNXCESA-N 0 3 219.328 3.362 20 0 BGADHN CC1=C[C@@H](C)C[C@H](CNCc2nccs2)C1 ZINC000235671595 168125430 /nfs/dbraw/zinc/12/54/30/168125430.db2.gz HTDTYXVGIUBTFU-PWSUYJOCSA-N 0 3 236.384 3.225 20 0 BGADHN Cc1noc(C)c1CNC[C@H]1CC(C)=C[C@@H](C)C1 ZINC000235703665 168123350 /nfs/dbraw/zinc/12/33/50/168123350.db2.gz FWWFBEXVVUZUKN-QMTHXVAHSA-N 0 3 248.370 3.373 20 0 BGADHN Cc1cc(CNC[C@H]2CC(C)=C[C@@H](C)C2)on1 ZINC000235703819 168123242 /nfs/dbraw/zinc/12/32/42/168123242.db2.gz VJXMMCVXLBZQJP-ZWNOBZJWSA-N 0 3 234.343 3.065 20 0 BGADHN Cc1cc(CNC[C@H]2CC(C)=C[C@@H](C)C2)no1 ZINC000235703836 537903543 /nfs/dbraw/zinc/90/35/43/537903543.db2.gz MWZXYHAUPDKCCI-ZWNOBZJWSA-N 0 3 234.343 3.065 20 0 BGADHN CC1=C[C@@H](C)C[C@@H](CNCc2ccco2)C1 ZINC000235704962 358439771 /nfs/dbraw/zinc/43/97/71/358439771.db2.gz OZVCFQBNKNKFPX-DGCLKSJQSA-N 0 3 219.328 3.362 20 0 BGADHN CC1=C[C@@H](C)C[C@@H](CNCc2nccs2)C1 ZINC000235706040 168122623 /nfs/dbraw/zinc/12/26/23/168122623.db2.gz HTDTYXVGIUBTFU-ZYHUDNBSSA-N 0 3 236.384 3.225 20 0 BGADHN Cc1ccc(CN[C@@H]2CCSC2)c(Cl)c1 ZINC000235856520 343064825 /nfs/dbraw/zinc/06/48/25/343064825.db2.gz BZLQCLIGCFRKED-LLVKDONJSA-N 0 3 241.787 3.244 20 0 BGADHN Cc1ccc(CNC2CC=CC2)c(Cl)c1 ZINC000235859313 488026281 /nfs/dbraw/zinc/02/62/81/488026281.db2.gz WFNNDUCNPLXSPA-UHFFFAOYSA-N 0 3 221.731 3.457 20 0 BGADHN Cc1ccc(CNC2CCC2)c(Cl)c1 ZINC000235859955 343064772 /nfs/dbraw/zinc/06/47/72/343064772.db2.gz BNXXZELGDOOAEA-UHFFFAOYSA-N 0 3 209.720 3.291 20 0 BGADHN Cc1ccc(CN[C@H]2CCSC2)c(Cl)c1 ZINC000235861149 343064719 /nfs/dbraw/zinc/06/47/19/343064719.db2.gz BZLQCLIGCFRKED-NSHDSACASA-N 0 3 241.787 3.244 20 0 BGADHN Cc1ccc(CNCC2CC2)c(Cl)c1 ZINC000235864184 343064528 /nfs/dbraw/zinc/06/45/28/343064528.db2.gz DVZLFYHCBRHWEF-UHFFFAOYSA-N 0 3 209.720 3.148 20 0 BGADHN Cc1cccc(CNC2CC2)c1Br ZINC000235889371 632845435 /nfs/dbraw/zinc/84/54/35/632845435.db2.gz JAPCYAXDCVLCCO-UHFFFAOYSA-N 0 3 240.144 3.010 20 0 BGADHN Cc1nc(CNCC2(C)CCC2)sc1C ZINC000235928179 537906127 /nfs/dbraw/zinc/90/61/27/537906127.db2.gz RHWZJSCQPKDKEZ-UHFFFAOYSA-N 0 3 224.373 3.040 20 0 BGADHN Cc1ccc(CNc2nc3ccc(F)cc3[nH]2)o1 ZINC000235984269 537908548 /nfs/dbraw/zinc/90/85/48/537908548.db2.gz CUZPKOFFFOQLCM-UHFFFAOYSA-N 0 3 245.257 3.216 20 0 BGADHN Cl/C=C/CN[C@@H]1CCCc2sccc21 ZINC000236015026 632863695 /nfs/dbraw/zinc/86/36/95/632863695.db2.gz XOLCHBVTEPBRIP-GCEAOBNSSA-N 0 3 227.760 3.468 20 0 BGADHN Cl/C=C/CN[C@H]1CCCc2sccc21 ZINC000236015433 632863131 /nfs/dbraw/zinc/86/31/31/632863131.db2.gz XOLCHBVTEPBRIP-LFKJVQOCSA-N 0 3 227.760 3.468 20 0 BGADHN Cc1nc(CNCC2(C3CC3)CC2)sc1C ZINC000236024619 632865126 /nfs/dbraw/zinc/86/51/26/632865126.db2.gz XCQDCVOVKIAEAW-UHFFFAOYSA-N 0 3 236.384 3.040 20 0 BGADHN Clc1cnccc1CNCC1(C2CC2)CC1 ZINC000236035196 325297132 /nfs/dbraw/zinc/29/71/32/325297132.db2.gz KHBGXXQOMAPPCI-UHFFFAOYSA-N 0 3 236.746 3.015 20 0 BGADHN Fc1ccc2nc(NCc3ccccc3)[nH]c2c1 ZINC000236189177 385061643 /nfs/dbraw/zinc/06/16/43/385061643.db2.gz BJNJQJVTVSVESD-UHFFFAOYSA-N 0 3 241.269 3.314 20 0 BGADHN Fc1ccc2nc(NCc3cccs3)[nH]c2c1 ZINC000236190586 387877489 /nfs/dbraw/zinc/87/74/89/387877489.db2.gz KWEDMMLEAHOBPV-UHFFFAOYSA-N 0 3 247.298 3.376 20 0 BGADHN Fc1ccc2nc(NCc3ccsc3)[nH]c2c1 ZINC000236191463 387876891 /nfs/dbraw/zinc/87/68/91/387876891.db2.gz QITJIDLKXPUMLJ-UHFFFAOYSA-N 0 3 247.298 3.376 20 0 BGADHN CC(C)(C)CNCc1cc(-c2ccccc2)on1 ZINC000236621998 343104032 /nfs/dbraw/zinc/10/40/32/343104032.db2.gz DSQLGDQQDYCPMK-UHFFFAOYSA-N 0 3 244.338 3.477 20 0 BGADHN CCC(CC)CC(=O)Nc1cccc(CNC)c1 ZINC000236633159 259677108 /nfs/dbraw/zinc/67/71/08/259677108.db2.gz HCALTEBMVHXAGB-UHFFFAOYSA-N 0 3 248.370 3.171 20 0 BGADHN CCC(CC)CC(=O)Nc1ccccc1CNC ZINC000236633315 259677401 /nfs/dbraw/zinc/67/74/01/259677401.db2.gz VNOGKECSLXZORX-UHFFFAOYSA-N 0 3 248.370 3.171 20 0 BGADHN C/C(=C/c1ccccc1)CNCCOCC1CC1 ZINC000236698740 188366888 /nfs/dbraw/zinc/36/68/88/188366888.db2.gz GTIBSPCMUOAYEA-KAMYIIQDSA-N 0 3 245.366 3.106 20 0 BGADHN c1nc(CNCC2CCCCCCC2)co1 ZINC000236735800 633163504 /nfs/dbraw/zinc/16/35/04/633163504.db2.gz BCLHIMFTQLNENG-UHFFFAOYSA-N 0 3 222.332 3.125 20 0 BGADHN c1sc(-c2ccccc2)nc1CNC1CCC1 ZINC000236760507 134835400 /nfs/dbraw/zinc/83/54/00/134835400.db2.gz OOXVPKYFGBFOTL-UHFFFAOYSA-N 0 3 244.363 3.452 20 0 BGADHN CCCC(C)(C)NCc1cccnc1Cl ZINC000236767265 388383373 /nfs/dbraw/zinc/38/33/73/388383373.db2.gz FVSUJAGTHGOUNI-UHFFFAOYSA-N 0 3 226.751 3.403 20 0 BGADHN CCCC1CCC(NCc2cocn2)CC1 ZINC000236800524 388383629 /nfs/dbraw/zinc/38/36/29/388383629.db2.gz IBURBRQXDXAETJ-UHFFFAOYSA-N 0 3 222.332 3.123 20 0 BGADHN CCCCC1CCC(CNCc2ncc[nH]2)CC1 ZINC000236824682 134837748 /nfs/dbraw/zinc/83/77/48/134837748.db2.gz MTCODAIISDISBR-UHFFFAOYSA-N 0 3 249.402 3.496 20 0 BGADHN CCC[C@@H](C)CC(=O)Nc1cccc(CNC)c1 ZINC000236856312 169357079 /nfs/dbraw/zinc/35/70/79/169357079.db2.gz NFDSLQQXIJKEGZ-GFCCVEGCSA-N 0 3 248.370 3.171 20 0 BGADHN CCC[C@@H](C)CC(=O)Nc1ccccc1CNC ZINC000236856691 388384811 /nfs/dbraw/zinc/38/48/11/388384811.db2.gz DWRBHCFFSOSEEN-GFCCVEGCSA-N 0 3 248.370 3.171 20 0 BGADHN CC[C@@H](C)NCc1coc(-c2ccccc2)n1 ZINC000236900674 387913849 /nfs/dbraw/zinc/91/38/49/387913849.db2.gz XAYQFAPTQZYYOY-LLVKDONJSA-N 0 3 230.311 3.230 20 0 BGADHN CC[C@](C)(NCC(C)C)c1nc(C)cs1 ZINC000236920515 398117294 /nfs/dbraw/zinc/11/72/94/398117294.db2.gz RRRQBVNVTKHUAP-LBPRGKRZSA-N 0 3 226.389 3.322 20 0 BGADHN CC[C@](C)(NCC(C)C)c1nccs1 ZINC000236920561 388384513 /nfs/dbraw/zinc/38/45/13/388384513.db2.gz GPTOIDAGZBMKSL-NSHDSACASA-N 0 3 212.362 3.014 20 0 BGADHN CC[C@](C)(NCC1CC1)c1nc(C)cs1 ZINC000236920604 398117658 /nfs/dbraw/zinc/11/76/58/398117658.db2.gz JPECXSJYTACBAF-LBPRGKRZSA-N 0 3 224.373 3.076 20 0 BGADHN CC[C@](C)(NCCC(C)C)c1nccs1 ZINC000236920825 388386939 /nfs/dbraw/zinc/38/69/39/388386939.db2.gz JISMBJQNAMKTHU-LBPRGKRZSA-N 0 3 226.389 3.404 20 0 BGADHN CCc1ccc(CNCc2cccnc2C)cc1 ZINC000236924315 350786117 /nfs/dbraw/zinc/78/61/17/350786117.db2.gz DDBSUZIIZDPKGG-UHFFFAOYSA-N 0 3 240.350 3.242 20 0 BGADHN CCc1ccc(CNCc2cccnc2C)s1 ZINC000236924358 350785977 /nfs/dbraw/zinc/78/59/77/350785977.db2.gz DJEKNXCXBVJPTP-UHFFFAOYSA-N 0 3 246.379 3.304 20 0 BGADHN CCCOc1ncccc1CNCC(C)(C)C ZINC000236979951 351211579 /nfs/dbraw/zinc/21/15/79/351211579.db2.gz VMKHJFLOPWKRPU-UHFFFAOYSA-N 0 3 236.359 3.006 20 0 BGADHN CC[C@H](C)NCc1coc(-c2ccccc2)n1 ZINC000237002093 536170399 /nfs/dbraw/zinc/17/03/99/536170399.db2.gz XAYQFAPTQZYYOY-NSHDSACASA-N 0 3 230.311 3.230 20 0 BGADHN CCC[C@H](C)CC(=O)Nc1cccc(CNC)c1 ZINC000237006533 386335122 /nfs/dbraw/zinc/33/51/22/386335122.db2.gz NFDSLQQXIJKEGZ-LBPRGKRZSA-N 0 3 248.370 3.171 20 0 BGADHN CCC[C@H](C)CC(=O)Nc1ccccc1CNC ZINC000237006790 388388430 /nfs/dbraw/zinc/38/84/30/388388430.db2.gz DWRBHCFFSOSEEN-LBPRGKRZSA-N 0 3 248.370 3.171 20 0 BGADHN CC[C@@](C)(NCC(C)C)c1nc(C)cs1 ZINC000237062252 171173686 /nfs/dbraw/zinc/17/36/86/171173686.db2.gz RRRQBVNVTKHUAP-GFCCVEGCSA-N 0 3 226.389 3.322 20 0 BGADHN CC[C@@](C)(NCC(C)C)c1nccs1 ZINC000237062284 171174685 /nfs/dbraw/zinc/17/46/85/171174685.db2.gz GPTOIDAGZBMKSL-LLVKDONJSA-N 0 3 212.362 3.014 20 0 BGADHN CC[C@@](C)(NCC1CC1)c1nc(C)cs1 ZINC000237062311 171173587 /nfs/dbraw/zinc/17/35/87/171173587.db2.gz JPECXSJYTACBAF-GFCCVEGCSA-N 0 3 224.373 3.076 20 0 BGADHN CC[C@@](C)(NCCC(C)C)c1nccs1 ZINC000237062463 136272121 /nfs/dbraw/zinc/27/21/21/136272121.db2.gz JISMBJQNAMKTHU-GFCCVEGCSA-N 0 3 226.389 3.404 20 0 BGADHN CNCc1cccc(NC(=O)CCC(C)(C)C)c1 ZINC000237105787 173389504 /nfs/dbraw/zinc/38/95/04/173389504.db2.gz FQINYTMTVSMGCX-UHFFFAOYSA-N 0 3 248.370 3.171 20 0 BGADHN CNCc1cccc(NC(=O)C[C@@H](C)C(C)C)c1 ZINC000237106937 388390165 /nfs/dbraw/zinc/39/01/65/388390165.db2.gz FBIPPJVDSFWVEA-GFCCVEGCSA-N 0 3 248.370 3.027 20 0 BGADHN CNCc1cccc(NC(=O)C[C@H](C)C(C)C)c1 ZINC000237107009 388389667 /nfs/dbraw/zinc/38/96/67/388389667.db2.gz FBIPPJVDSFWVEA-LBPRGKRZSA-N 0 3 248.370 3.027 20 0 BGADHN CNCc1ccccc1NC(=O)CCC(C)(C)C ZINC000237112290 173390262 /nfs/dbraw/zinc/39/02/62/173390262.db2.gz DZPQZSLTEWWWRS-UHFFFAOYSA-N 0 3 248.370 3.171 20 0 BGADHN CNCc1ccccc1NC(=O)C[C@@H](C)C(C)C ZINC000237133298 388390181 /nfs/dbraw/zinc/39/01/81/388390181.db2.gz RTGQOPYQGWMBRO-GFCCVEGCSA-N 0 3 248.370 3.027 20 0 BGADHN CNCc1ccccc1NC(=O)C[C@H](C)C(C)C ZINC000237135250 388390132 /nfs/dbraw/zinc/39/01/32/388390132.db2.gz RTGQOPYQGWMBRO-LBPRGKRZSA-N 0 3 248.370 3.027 20 0 BGADHN CCc1ccc(CCNCc2ccc(C)o2)cc1 ZINC000237170468 343708083 /nfs/dbraw/zinc/70/80/83/343708083.db2.gz HUYKSJCUBRVVDK-UHFFFAOYSA-N 0 3 243.350 3.483 20 0 BGADHN CO[C@H](CNCc1ccc(C)o1)c1ccccc1 ZINC000237209073 388391074 /nfs/dbraw/zinc/39/10/74/388391074.db2.gz BSHUAGJRFJYIGB-OAHLLOKOSA-N 0 3 245.322 3.065 20 0 BGADHN Cc1ncccc1CN[C@H](C)c1cccs1 ZINC000237352338 355847659 /nfs/dbraw/zinc/84/76/59/355847659.db2.gz AABBRNWMEUWEAQ-LLVKDONJSA-N 0 3 232.352 3.302 20 0 BGADHN C[C@@H](NCc1coc(-c2ccccc2)n1)C1CC1 ZINC000237488352 388395856 /nfs/dbraw/zinc/39/58/56/388395856.db2.gz GNEWRPMSUZOXSX-LLVKDONJSA-N 0 3 242.322 3.230 20 0 BGADHN CSCCNCc1ccc(-c2ccccc2)o1 ZINC000237509087 357185142 /nfs/dbraw/zinc/18/51/42/357185142.db2.gz YIPQYGIUCFNMRM-UHFFFAOYSA-N 0 3 247.363 3.399 20 0 BGADHN Cc1ncccc1CN[C@@H](C)c1cccs1 ZINC000237509597 357184940 /nfs/dbraw/zinc/18/49/40/357184940.db2.gz AABBRNWMEUWEAQ-NSHDSACASA-N 0 3 232.352 3.302 20 0 BGADHN Cc1ncccc1CNCc1cccc(Cl)c1 ZINC000237606157 357249153 /nfs/dbraw/zinc/24/91/53/357249153.db2.gz GFNARVGXNFMMFK-UHFFFAOYSA-N 0 3 246.741 3.333 20 0 BGADHN Cc1ncccc1CN[C@@H]1CCc2ccccc21 ZINC000237615819 357254550 /nfs/dbraw/zinc/25/45/50/357254550.db2.gz DOYFHUGVMHWCGY-MRXNPFEDSA-N 0 3 238.334 3.167 20 0 BGADHN Cc1ncccc1CN[C@H]1CCc2ccccc21 ZINC000237618560 357254242 /nfs/dbraw/zinc/25/42/42/357254242.db2.gz DOYFHUGVMHWCGY-INIZCTEOSA-N 0 3 238.334 3.167 20 0 BGADHN C[C@H](NCc1coc(-c2ccccc2)n1)C1CC1 ZINC000237624684 388397664 /nfs/dbraw/zinc/39/76/64/388397664.db2.gz GNEWRPMSUZOXSX-NSHDSACASA-N 0 3 242.322 3.230 20 0 BGADHN Cc1ccc(CNCc2cccnc2C)c(C)c1 ZINC000237750285 358009036 /nfs/dbraw/zinc/00/90/36/358009036.db2.gz MIAVJQAHKFMLRP-UHFFFAOYSA-N 0 3 240.350 3.297 20 0 BGADHN C[C@H]1C[C@H](NCc2ccco2)C[C@@H](C)C1 ZINC000238850507 135078540 /nfs/dbraw/zinc/07/85/40/135078540.db2.gz BYQVPFREXKFPGJ-GDNZZTSVSA-N 0 3 207.317 3.194 20 0 BGADHN C[C@@H]1CC[C@@H](NCc2ccco2)C[C@H]1C ZINC000238851034 524618226 /nfs/dbraw/zinc/61/82/26/524618226.db2.gz DTZZIZNKWOSXAA-IJLUTSLNSA-N 0 3 207.317 3.194 20 0 BGADHN C[C@@H]1CC[C@H](NCc2ccco2)C[C@H]1C ZINC000238851036 176233978 /nfs/dbraw/zinc/23/39/78/176233978.db2.gz DTZZIZNKWOSXAA-UTUOFQBUSA-N 0 3 207.317 3.194 20 0 BGADHN C[C@@H](c1ccccc1)N(C)C[C@H]1CCCCO1 ZINC000245381162 134852923 /nfs/dbraw/zinc/85/29/23/134852923.db2.gz ARGWHBQNJRLJIU-DZGCQCFKSA-N 0 3 233.355 3.249 20 0 BGADHN C[C@H](c1ccccc1)N(C)C[C@H]1CCCCO1 ZINC000245381163 387942978 /nfs/dbraw/zinc/94/29/78/387942978.db2.gz ARGWHBQNJRLJIU-UKRRQHHQSA-N 0 3 233.355 3.249 20 0 BGADHN CC[C@H](O)CN(C)[C@H](C)c1ccccc1Cl ZINC000245393049 583301080 /nfs/dbraw/zinc/30/10/80/583301080.db2.gz CBJXUDSXPUVPAA-MNOVXSKESA-N 0 3 241.762 3.104 20 0 BGADHN CCCCN1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000245401121 388576863 /nfs/dbraw/zinc/57/68/63/388576863.db2.gz DHNKUJZMBRNJFW-HIFRSBDPSA-N 0 3 233.355 3.249 20 0 BGADHN CCCCN1C[C@H](c2ccccc2)OC[C@H]1C ZINC000245401123 388576383 /nfs/dbraw/zinc/57/63/83/388576383.db2.gz DHNKUJZMBRNJFW-UKRRQHHQSA-N 0 3 233.355 3.249 20 0 BGADHN CC[C@H](O)CN(C)[C@H](C)c1ccc(Cl)cc1 ZINC000245401255 386590976 /nfs/dbraw/zinc/59/09/76/386590976.db2.gz ZNXNUYOACOLFSW-MFKMUULPSA-N 0 3 241.762 3.104 20 0 BGADHN C[C@H]1CN(CCOC(C)(C)C)[C@H]1c1ccccc1 ZINC000245416221 388578146 /nfs/dbraw/zinc/57/81/46/388578146.db2.gz DYFNFEVDTBUYNX-DZGCQCFKSA-N 0 3 247.382 3.495 20 0 BGADHN C[C@@H]1CN(CCOC(C)(C)C)[C@H]1c1ccccc1 ZINC000245416222 388577393 /nfs/dbraw/zinc/57/73/93/388577393.db2.gz DYFNFEVDTBUYNX-UKRRQHHQSA-N 0 3 247.382 3.495 20 0 BGADHN C[C@@H]1CN(CCOCC2CC2)[C@H]1c1ccccc1 ZINC000245416248 388577719 /nfs/dbraw/zinc/57/77/19/388577719.db2.gz DYXZFOLRIOSTQP-CZUORRHYSA-N 0 3 245.366 3.106 20 0 BGADHN C[C@H]1CN(CCOCC2CC2)[C@H]1c1ccccc1 ZINC000245416249 388577914 /nfs/dbraw/zinc/57/79/14/388577914.db2.gz DYXZFOLRIOSTQP-XJKSGUPXSA-N 0 3 245.366 3.106 20 0 BGADHN CC(C)OCCN1C[C@H](C)[C@@H]1c1ccccc1 ZINC000245443246 167236999 /nfs/dbraw/zinc/23/69/99/167236999.db2.gz XARKMVGKFSTGBV-DZGCQCFKSA-N 0 3 233.355 3.104 20 0 BGADHN CC(C)OCCN1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000245443247 167233962 /nfs/dbraw/zinc/23/39/62/167233962.db2.gz XARKMVGKFSTGBV-UKRRQHHQSA-N 0 3 233.355 3.104 20 0 BGADHN CCSCCN1C[C@H](C)[C@H]1c1ccccc1 ZINC000245445789 364536525 /nfs/dbraw/zinc/53/65/25/364536525.db2.gz ZEWSZSVAYFMWJY-JSGCOSHPSA-N 0 3 235.396 3.433 20 0 BGADHN CCSCCN1C[C@@H](C)[C@H]1c1ccccc1 ZINC000245445790 364536121 /nfs/dbraw/zinc/53/61/21/364536121.db2.gz ZEWSZSVAYFMWJY-OCCSQVGLSA-N 0 3 235.396 3.433 20 0 BGADHN Cc1cccc([C@H](C)N(C)C[C@H]2CCCO2)c1 ZINC000245466002 387947187 /nfs/dbraw/zinc/94/71/87/387947187.db2.gz YTSFUFPQZBNVEW-DZGCQCFKSA-N 0 3 233.355 3.167 20 0 BGADHN Cc1cccc([C@@H](C)N(C)C[C@H]2CCCO2)c1 ZINC000245466003 387948005 /nfs/dbraw/zinc/94/80/05/387948005.db2.gz YTSFUFPQZBNVEW-UKRRQHHQSA-N 0 3 233.355 3.167 20 0 BGADHN Cc1ncsc1CN(C)[C@H]1CCC[C@@H](C)C1 ZINC000245503519 323119403 /nfs/dbraw/zinc/11/94/03/323119403.db2.gz IGMYKTXGMPPZTQ-PWSUYJOCSA-N 0 3 238.400 3.462 20 0 BGADHN Cc1ncsc1CN(C)[C@@H]1CCC[C@@H](C)C1 ZINC000245503520 411277203 /nfs/dbraw/zinc/27/72/03/411277203.db2.gz IGMYKTXGMPPZTQ-ZYHUDNBSSA-N 0 3 238.400 3.462 20 0 BGADHN CCCn1cc(CN(C)[C@H]2CCC[C@@H](C)C2)cn1 ZINC000245509309 388585593 /nfs/dbraw/zinc/58/55/93/388585593.db2.gz UGUNZPMUAWOJMQ-HIFRSBDPSA-N 0 3 249.402 3.304 20 0 BGADHN CCCn1cc(CN(C)[C@@H]2CCC[C@@H](C)C2)cn1 ZINC000245509310 388585581 /nfs/dbraw/zinc/58/55/81/388585581.db2.gz UGUNZPMUAWOJMQ-UKRRQHHQSA-N 0 3 249.402 3.304 20 0 BGADHN Cc1cnc(CN(C)[C@H]2CCC[C@@H](C)C2)s1 ZINC000245527392 387952994 /nfs/dbraw/zinc/95/29/94/387952994.db2.gz DADQCVCVIKQXLM-PWSUYJOCSA-N 0 3 238.400 3.462 20 0 BGADHN Cc1cnc(CN(C)[C@@H]2CCC[C@@H](C)C2)s1 ZINC000245527393 387953663 /nfs/dbraw/zinc/95/36/63/387953663.db2.gz DADQCVCVIKQXLM-ZYHUDNBSSA-N 0 3 238.400 3.462 20 0 BGADHN C[C@H](c1nc2ccccc2o1)N1CCC[C@H]1C ZINC000245528929 387956304 /nfs/dbraw/zinc/95/63/04/387956304.db2.gz BPXQPGNWBMDUTB-GHMZBOCLSA-N 0 3 230.311 3.373 20 0 BGADHN C[C@H](c1nc2ccccc2o1)N1CCC[C@@H]1C ZINC000245528932 387955606 /nfs/dbraw/zinc/95/56/06/387955606.db2.gz BPXQPGNWBMDUTB-WDEREUQCSA-N 0 3 230.311 3.373 20 0 BGADHN Cc1cnc(CN2C[C@H](C)CCC[C@H]2C)s1 ZINC000245532416 387955423 /nfs/dbraw/zinc/95/54/23/387955423.db2.gz IEAYYBBZPAHJBK-GHMZBOCLSA-N 0 3 238.400 3.462 20 0 BGADHN Cc1cnc(CN2C[C@@H](C)CCC[C@H]2C)s1 ZINC000245532419 134857577 /nfs/dbraw/zinc/85/75/77/134857577.db2.gz IEAYYBBZPAHJBK-WDEREUQCSA-N 0 3 238.400 3.462 20 0 BGADHN C[C@@H](c1cccnc1)N(C)[C@@H]1C=CCCC1 ZINC000245537726 387955524 /nfs/dbraw/zinc/95/55/24/387955524.db2.gz MRXPMRZCJLFLGF-GXTWGEPZSA-N 0 3 216.328 3.183 20 0 BGADHN C[C@H](c1cccnc1)N(C)[C@@H]1C=CCCC1 ZINC000245537729 387956317 /nfs/dbraw/zinc/95/63/17/387956317.db2.gz MRXPMRZCJLFLGF-TZMCWYRMSA-N 0 3 216.328 3.183 20 0 BGADHN Cc1cnc(CN2CCC[C@@H]3CCC[C@H]32)s1 ZINC000245538813 373544277 /nfs/dbraw/zinc/54/42/77/373544277.db2.gz NGAOQQDMWDOVRH-NWDGAFQWSA-N 0 3 236.384 3.216 20 0 BGADHN Cc1cnc(CN2CCC[C@H]3CCC[C@H]32)s1 ZINC000245538815 373543739 /nfs/dbraw/zinc/54/37/39/373543739.db2.gz NGAOQQDMWDOVRH-VXGBXAGGSA-N 0 3 236.384 3.216 20 0 BGADHN C[C@H](c1ccccn1)N(C)[C@@H]1C=CCCC1 ZINC000245545340 387957788 /nfs/dbraw/zinc/95/77/88/387957788.db2.gz TXRVHCCUWZGIQF-CHWSQXEVSA-N 0 3 216.328 3.183 20 0 BGADHN C[C@@H](c1ccccn1)N(C)[C@@H]1C=CCCC1 ZINC000245545341 387957457 /nfs/dbraw/zinc/95/74/57/387957457.db2.gz TXRVHCCUWZGIQF-QWHCGFSZSA-N 0 3 216.328 3.183 20 0 BGADHN Cc1cnc(CN2CC[C@@H](C)C[C@@H](C)C2)s1 ZINC000245548227 387958544 /nfs/dbraw/zinc/95/85/44/387958544.db2.gz YJCUHTBTZKJMLX-GHMZBOCLSA-N 0 3 238.400 3.320 20 0 BGADHN Cc1cnc(CN2CC[C@H](C)C[C@@H](C)C2)s1 ZINC000245548229 387958708 /nfs/dbraw/zinc/95/87/08/387958708.db2.gz YJCUHTBTZKJMLX-WDEREUQCSA-N 0 3 238.400 3.320 20 0 BGADHN CC(C)n1cc(CN2CCC[C@H]3CCC[C@H]32)cn1 ZINC000245551967 388589293 /nfs/dbraw/zinc/58/92/93/388589293.db2.gz CFIHROOKNPYSHW-HUUCEWRRSA-N 0 3 247.386 3.229 20 0 BGADHN CC(C)n1cc(CN2CCC[C@@H]3CCC[C@H]32)cn1 ZINC000245551969 388589156 /nfs/dbraw/zinc/58/91/56/388589156.db2.gz CFIHROOKNPYSHW-LSDHHAIUSA-N 0 3 247.386 3.229 20 0 BGADHN CC(C)n1cc(CN2CCC[C@@H](C)[C@@H]2C)cn1 ZINC000245554478 387959765 /nfs/dbraw/zinc/95/97/65/387959765.db2.gz GZQHHTOLTCFNSW-OLZOCXBDSA-N 0 3 235.375 3.084 20 0 BGADHN CC(C)n1cc(CN2CCC[C@H](C)[C@@H]2C)cn1 ZINC000245554480 387960692 /nfs/dbraw/zinc/96/06/92/387960692.db2.gz GZQHHTOLTCFNSW-STQMWFEESA-N 0 3 235.375 3.084 20 0 BGADHN c1cc([C@@H]2CCCN2[C@@H]2C=CCCC2)ccn1 ZINC000245558304 387960548 /nfs/dbraw/zinc/96/05/48/387960548.db2.gz BEFVUGDTTUVCLH-CABCVRRESA-N 0 3 228.339 3.327 20 0 BGADHN c1cc([C@H]2CCCN2[C@@H]2C=CCCC2)ccn1 ZINC000245558307 387960765 /nfs/dbraw/zinc/96/07/65/387960765.db2.gz BEFVUGDTTUVCLH-HUUCEWRRSA-N 0 3 228.339 3.327 20 0 BGADHN COc1ccccc1CN1CCC[C@@H]2CCC[C@H]21 ZINC000245558750 387960645 /nfs/dbraw/zinc/96/06/45/387960645.db2.gz LBVXLEKZHJCOGH-DZGCQCFKSA-N 0 3 245.366 3.460 20 0 BGADHN COc1ccccc1CN1CCC[C@H]2CCC[C@H]21 ZINC000245558752 387960449 /nfs/dbraw/zinc/96/04/49/387960449.db2.gz LBVXLEKZHJCOGH-UKRRQHHQSA-N 0 3 245.366 3.460 20 0 BGADHN C[C@@H]1CCN(CCC(=O)c2ccc(F)cc2)[C@H]1C ZINC000245563949 388590556 /nfs/dbraw/zinc/59/05/56/388590556.db2.gz NTTMVJAROJTOFM-NEPJUHHUSA-N 0 3 249.329 3.129 20 0 BGADHN C[C@H]1CCN(CCC(=O)c2ccc(F)cc2)[C@H]1C ZINC000245563950 388590884 /nfs/dbraw/zinc/59/08/84/388590884.db2.gz NTTMVJAROJTOFM-RYUDHWBXSA-N 0 3 249.329 3.129 20 0 BGADHN Cc1ncccc1CN1CCC[C@@H]2CCC[C@H]21 ZINC000245564311 387963794 /nfs/dbraw/zinc/96/37/94/387963794.db2.gz QMCNOTFRLSPCFJ-DZGCQCFKSA-N 0 3 230.355 3.155 20 0 BGADHN Cc1ncccc1CN1CCC[C@H]2CCC[C@H]21 ZINC000245564312 387963077 /nfs/dbraw/zinc/96/30/77/387963077.db2.gz QMCNOTFRLSPCFJ-UKRRQHHQSA-N 0 3 230.355 3.155 20 0 BGADHN CCCn1cc(CN2CCC[C@H]3CCC[C@H]32)cn1 ZINC000245567735 387962049 /nfs/dbraw/zinc/96/20/49/387962049.db2.gz UTEJXLIKBGJSBZ-HUUCEWRRSA-N 0 3 247.386 3.058 20 0 BGADHN CCCn1cc(CN2CCC[C@@H]3CCC[C@H]32)cn1 ZINC000245567737 387961337 /nfs/dbraw/zinc/96/13/37/387961337.db2.gz UTEJXLIKBGJSBZ-LSDHHAIUSA-N 0 3 247.386 3.058 20 0 BGADHN Cc1ncsc1CN1CCC[C@H](C)[C@H]1C ZINC000245568728 388424025 /nfs/dbraw/zinc/42/40/25/388424025.db2.gz VONYODCUBGVMNL-GXSJLCMTSA-N 0 3 224.373 3.072 20 0 BGADHN Cc1ncsc1CN1CCC[C@@H](C)[C@H]1C ZINC000245568729 388423904 /nfs/dbraw/zinc/42/39/04/388423904.db2.gz VONYODCUBGVMNL-MWLCHTKSSA-N 0 3 224.373 3.072 20 0 BGADHN C[C@@H]1CCCN(Cc2cnn(C(C)(C)C)c2)[C@H]1C ZINC000245569164 387961293 /nfs/dbraw/zinc/96/12/93/387961293.db2.gz VYSHEUSEGWWEDU-OLZOCXBDSA-N 0 3 249.402 3.259 20 0 BGADHN C[C@H]1CCCN(Cc2cnn(C(C)(C)C)c2)[C@H]1C ZINC000245569168 387962378 /nfs/dbraw/zinc/96/23/78/387962378.db2.gz VYSHEUSEGWWEDU-STQMWFEESA-N 0 3 249.402 3.259 20 0 BGADHN c1c[nH]c([C@@H]2CCCCN2C[C@@H]2CC=CCC2)n1 ZINC000245571069 387961270 /nfs/dbraw/zinc/96/12/70/387961270.db2.gz XJEHLOUZXMJBKA-KGLIPLIRSA-N 0 3 245.370 3.293 20 0 BGADHN c1c[nH]c([C@H]2CCCCN2C[C@@H]2CC=CCC2)n1 ZINC000245571070 387961802 /nfs/dbraw/zinc/96/18/02/387961802.db2.gz XJEHLOUZXMJBKA-ZIAGYGMSSA-N 0 3 245.370 3.293 20 0 BGADHN C[C@H]1CN(C2CCCC2)C[C@@H](c2ccccc2)O1 ZINC000245573770 388590566 /nfs/dbraw/zinc/59/05/66/388590566.db2.gz AGYKEQKDXQOPSV-BBRMVZONSA-N 0 3 245.366 3.391 20 0 BGADHN C[C@@H]1CN(C2CCCC2)C[C@@H](c2ccccc2)O1 ZINC000245573773 388590511 /nfs/dbraw/zinc/59/05/11/388590511.db2.gz AGYKEQKDXQOPSV-CJNGLKHVSA-N 0 3 245.366 3.391 20 0 BGADHN CCN(Cc1cnn(C)c1)C[C@H]1CCC[C@@H](C)C1 ZINC000245599214 387963157 /nfs/dbraw/zinc/96/31/57/387963157.db2.gz JPRYBVLRELIPBK-KGLIPLIRSA-N 0 3 249.402 3.068 20 0 BGADHN CCN(Cc1cnn(C)c1)C[C@@H]1CCC[C@@H](C)C1 ZINC000245599218 387963607 /nfs/dbraw/zinc/96/36/07/387963607.db2.gz JPRYBVLRELIPBK-ZIAGYGMSSA-N 0 3 249.402 3.068 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CN[C@H]2CCCOCC2)o1 ZINC000245622659 388593908 /nfs/dbraw/zinc/59/39/08/388593908.db2.gz RTLCQIUTOPIMCL-DYEKYZERSA-N 0 3 249.354 3.062 20 0 BGADHN C[C@@H]1C[C@H]1c1ccc(CN[C@H]2CCCOCC2)o1 ZINC000245622665 388593480 /nfs/dbraw/zinc/59/34/80/388593480.db2.gz RTLCQIUTOPIMCL-MBNYWOFBSA-N 0 3 249.354 3.062 20 0 BGADHN C[C@H](C[C@@H](O)c1ccco1)N[C@H](C)c1ccoc1 ZINC000245688014 644537731 /nfs/dbraw/zinc/53/77/31/644537731.db2.gz NZBLNKXZHHLWET-NQBHXWOUSA-N 0 3 249.310 3.035 20 0 BGADHN C[C@H](C[C@H](O)c1ccco1)N[C@H](C)c1ccoc1 ZINC000245688015 644537844 /nfs/dbraw/zinc/53/78/44/644537844.db2.gz NZBLNKXZHHLWET-WZRBSPASSA-N 0 3 249.310 3.035 20 0 BGADHN C[C@@H]1CN(Cc2cccn2C)[C@H]1c1ccccc1 ZINC000245688117 387973386 /nfs/dbraw/zinc/97/33/86/387973386.db2.gz AXSMIUVVHGTZKI-CZUORRHYSA-N 0 3 240.350 3.218 20 0 BGADHN C[C@H]1CN(Cc2cccn2C)[C@H]1c1ccccc1 ZINC000245688121 387973431 /nfs/dbraw/zinc/97/34/31/387973431.db2.gz AXSMIUVVHGTZKI-XJKSGUPXSA-N 0 3 240.350 3.218 20 0 BGADHN CC[C@@H](c1ccncc1)N(C)C[C@H]1CCCCO1 ZINC000245706674 350827284 /nfs/dbraw/zinc/82/72/84/350827284.db2.gz YSMNCXMTNRRIQR-CABCVRRESA-N 0 3 248.370 3.034 20 0 BGADHN CC[C@H](c1ccncc1)N(C)C[C@H]1CCCCO1 ZINC000245706677 171601184 /nfs/dbraw/zinc/60/11/84/171601184.db2.gz YSMNCXMTNRRIQR-HUUCEWRRSA-N 0 3 248.370 3.034 20 0 BGADHN Cc1ncsc1CN1C[C@H](C)CC[C@H]1C ZINC000245716416 135081831 /nfs/dbraw/zinc/08/18/31/135081831.db2.gz HCMMUZPZYDFYSW-NXEZZACHSA-N 0 3 224.373 3.072 20 0 BGADHN Cc1ncsc1CN1C[C@@H](C)CC[C@H]1C ZINC000245717065 180318577 /nfs/dbraw/zinc/31/85/77/180318577.db2.gz HCMMUZPZYDFYSW-VHSXEESVSA-N 0 3 224.373 3.072 20 0 BGADHN C[C@H](C[C@@H](O)c1ccco1)N[C@H](C)c1ccco1 ZINC000245727154 644539152 /nfs/dbraw/zinc/53/91/52/644539152.db2.gz XMXKZLDKXGZIJV-IJLUTSLNSA-N 0 3 249.310 3.035 20 0 BGADHN C[C@H](C[C@H](O)c1ccco1)N[C@H](C)c1ccco1 ZINC000245727157 644538751 /nfs/dbraw/zinc/53/87/51/644538751.db2.gz XMXKZLDKXGZIJV-UTUOFQBUSA-N 0 3 249.310 3.035 20 0 BGADHN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NCc1cocn1 ZINC000245727487 349085398 /nfs/dbraw/zinc/08/53/98/349085398.db2.gz HCOSZQNYNXEAMS-BNOWGMLFSA-N 0 3 236.359 3.225 20 0 BGADHN C[C@H]1CCN(Cc2c[nH]nc2C(C)(C)C)C[C@H]1C ZINC000245730687 388601447 /nfs/dbraw/zinc/60/14/47/388601447.db2.gz JRQMGIGOEWKOQZ-NWDGAFQWSA-N 0 3 249.402 3.185 20 0 BGADHN C[C@@H]1CCN(Cc2c[nH]nc2C(C)(C)C)C[C@H]1C ZINC000245730691 388601489 /nfs/dbraw/zinc/60/14/89/388601489.db2.gz JRQMGIGOEWKOQZ-VXGBXAGGSA-N 0 3 249.402 3.185 20 0 BGADHN Cc1ccc(CN2CCS[C@H](C)[C@H]2C)s1 ZINC000245732954 387979026 /nfs/dbraw/zinc/97/90/26/387979026.db2.gz KBFWIYOOPXVFJJ-GHMZBOCLSA-N 0 3 241.425 3.382 20 0 BGADHN Cc1ccc(CN2CCS[C@@H](C)[C@H]2C)s1 ZINC000245732962 387979213 /nfs/dbraw/zinc/97/92/13/387979213.db2.gz KBFWIYOOPXVFJJ-MNOVXSKESA-N 0 3 241.425 3.382 20 0 BGADHN C[C@@H]1CCN(Cc2cnn(C(C)(C)C)c2)C[C@H]1C ZINC000245735458 387978612 /nfs/dbraw/zinc/97/86/12/387978612.db2.gz KQGOKWCKEZTJPJ-CHWSQXEVSA-N 0 3 249.402 3.116 20 0 BGADHN C[C@H]1CCN(Cc2cnn(C(C)(C)C)c2)C[C@H]1C ZINC000245735468 387978460 /nfs/dbraw/zinc/97/84/60/387978460.db2.gz KQGOKWCKEZTJPJ-QWHCGFSZSA-N 0 3 249.402 3.116 20 0 BGADHN Cc1ccsc1CN1CCS[C@H](C)[C@H]1C ZINC000245742619 387980105 /nfs/dbraw/zinc/98/01/05/387980105.db2.gz MDFAWYUXCOSFRL-GHMZBOCLSA-N 0 3 241.425 3.382 20 0 BGADHN Cc1ccsc1CN1CCS[C@@H](C)[C@H]1C ZINC000245742620 387980806 /nfs/dbraw/zinc/98/08/06/387980806.db2.gz MDFAWYUXCOSFRL-MNOVXSKESA-N 0 3 241.425 3.382 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000245748962 386604856 /nfs/dbraw/zinc/60/48/56/386604856.db2.gz XCFQGKVAWWMBIQ-RNJOBUHISA-N 0 3 237.343 3.195 20 0 BGADHN Cc1ccc([C@@H](C)N[C@@H]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000245748969 386605697 /nfs/dbraw/zinc/60/56/97/386605697.db2.gz XCFQGKVAWWMBIQ-YVECIDJPSA-N 0 3 237.343 3.195 20 0 BGADHN Cc1ccc(CN2CC[C@@H](C)[C@@H](C)C2)o1 ZINC000245799444 387984355 /nfs/dbraw/zinc/98/43/55/387984355.db2.gz XNWFZCVSPDEZTH-MNOVXSKESA-N 0 3 207.317 3.066 20 0 BGADHN Cc1ccc(CN2CC[C@H](C)[C@@H](C)C2)o1 ZINC000245799448 387984924 /nfs/dbraw/zinc/98/49/24/387984924.db2.gz XNWFZCVSPDEZTH-QWRGUYRKSA-N 0 3 207.317 3.066 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CN2CCC[C@@H]2C)o1 ZINC000245801557 387983689 /nfs/dbraw/zinc/98/36/89/387983689.db2.gz XWAXPLSJMFFBEU-MDZLAQPJSA-N 0 3 219.328 3.387 20 0 BGADHN C[C@@H]1C[C@H]1c1ccc(CN2CCC[C@H]2C)o1 ZINC000245801563 387984204 /nfs/dbraw/zinc/98/42/04/387984204.db2.gz XWAXPLSJMFFBEU-NQBHXWOUSA-N 0 3 219.328 3.387 20 0 BGADHN C[C@@H]1C[C@H]1c1ccc(CN2CCC[C@@H]2C)o1 ZINC000245801566 387984486 /nfs/dbraw/zinc/98/44/86/387984486.db2.gz XWAXPLSJMFFBEU-NTZNESFSSA-N 0 3 219.328 3.387 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CN2CCC[C@H]2C)o1 ZINC000245801572 387984123 /nfs/dbraw/zinc/98/41/23/387984123.db2.gz XWAXPLSJMFFBEU-WZRBSPASSA-N 0 3 219.328 3.387 20 0 BGADHN c1coc(CN2CCS[C@@H]3CCCC[C@H]32)c1 ZINC000245801866 387984370 /nfs/dbraw/zinc/98/43/70/387984370.db2.gz XYEDFHWGRQDHGQ-CHWSQXEVSA-N 0 3 237.368 3.140 20 0 BGADHN c1coc(CN2CCS[C@H]3CCCC[C@H]32)c1 ZINC000245801869 387985025 /nfs/dbraw/zinc/98/50/25/387985025.db2.gz XYEDFHWGRQDHGQ-OLZOCXBDSA-N 0 3 237.368 3.140 20 0 BGADHN C[C@@H](c1cccc(O)c1)N(C)[C@@H]1C=CCCC1 ZINC000245802327 387984462 /nfs/dbraw/zinc/98/44/62/387984462.db2.gz KHGPSOCWWLENTF-GXTWGEPZSA-N 0 3 231.339 3.494 20 0 BGADHN C[C@H](c1cccc(O)c1)N(C)[C@@H]1C=CCCC1 ZINC000245802331 387983666 /nfs/dbraw/zinc/98/36/66/387983666.db2.gz KHGPSOCWWLENTF-TZMCWYRMSA-N 0 3 231.339 3.494 20 0 BGADHN C[C@@H]1CN(CC2=CCCOC2)[C@H]1c1ccccc1 ZINC000245807029 387984697 /nfs/dbraw/zinc/98/46/97/387984697.db2.gz YSVWCFDKIHYZLW-CZUORRHYSA-N 0 3 243.350 3.026 20 0 BGADHN C[C@H]1CN(CC2=CCCOC2)[C@H]1c1ccccc1 ZINC000245807033 387984631 /nfs/dbraw/zinc/98/46/31/387984631.db2.gz YSVWCFDKIHYZLW-XJKSGUPXSA-N 0 3 243.350 3.026 20 0 BGADHN Cc1nc(CN[C@H]2[C@H](C)CCC[C@@H]2C)oc1C ZINC000245833001 388606961 /nfs/dbraw/zinc/60/69/61/388606961.db2.gz AJJLPSBZBZQOMQ-MSRIBSCDSA-N 0 3 236.359 3.206 20 0 BGADHN C[C@H]1CCN(Cc2nc3ccccc3o2)C[C@H]1C ZINC000245855040 134867986 /nfs/dbraw/zinc/86/79/86/134867986.db2.gz DLENQGOVBUVPMB-NWDGAFQWSA-N 0 3 244.338 3.306 20 0 BGADHN C[C@@H]1CCN(Cc2nc3ccccc3o2)C[C@H]1C ZINC000245855042 387987232 /nfs/dbraw/zinc/98/72/32/387987232.db2.gz DLENQGOVBUVPMB-VXGBXAGGSA-N 0 3 244.338 3.306 20 0 BGADHN Cc1nc(CN2CC[C@H](C)[C@@H](C)C2)sc1C ZINC000245862568 388607845 /nfs/dbraw/zinc/60/78/45/388607845.db2.gz FQAZVPWRGASHPX-UWVGGRQHSA-N 0 3 238.400 3.238 20 0 BGADHN Cc1nc(CN2CC[C@@H](C)[C@@H](C)C2)sc1C ZINC000245862577 388607692 /nfs/dbraw/zinc/60/76/92/388607692.db2.gz FQAZVPWRGASHPX-ZJUUUORDSA-N 0 3 238.400 3.238 20 0 BGADHN CC(C)n1ccnc1CN[C@H]1[C@H](C)CCC[C@@H]1C ZINC000245900630 349091454 /nfs/dbraw/zinc/09/14/54/349091454.db2.gz SDVAJSIEXDTKFL-NHAGDIPZSA-N 0 3 249.402 3.378 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2CCO[C@H]2C)c(C)s1 ZINC000245931500 178258211 /nfs/dbraw/zinc/25/82/11/178258211.db2.gz JJTBHCVNISLSKG-KWBADKCTSA-N 0 3 239.384 3.193 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CCO[C@H]2C)c(C)s1 ZINC000245931505 178255877 /nfs/dbraw/zinc/25/58/77/178255877.db2.gz JJTBHCVNISLSKG-OUJBWJOFSA-N 0 3 239.384 3.193 20 0 BGADHN CCC[C@@H](C)CN1CCCC[C@H]1c1ncc[nH]1 ZINC000245947500 387995702 /nfs/dbraw/zinc/99/57/02/387995702.db2.gz WCYCCWRQCRZBBR-OLZOCXBDSA-N 0 3 235.375 3.373 20 0 BGADHN CCC[C@H](C)CN1CCCC[C@H]1c1ncc[nH]1 ZINC000245947506 387995606 /nfs/dbraw/zinc/99/56/06/387995606.db2.gz WCYCCWRQCRZBBR-STQMWFEESA-N 0 3 235.375 3.373 20 0 BGADHN CC[C@H](NC[C@@H]1CCC[C@@H](C)C1)c1nccn1C ZINC000246033997 388615006 /nfs/dbraw/zinc/61/50/06/388615006.db2.gz MJWXCTJILWUQMV-MCIONIFRSA-N 0 3 249.402 3.287 20 0 BGADHN CC[C@H](NC[C@H]1CCC[C@@H](C)C1)c1nccn1C ZINC000246034004 325538969 /nfs/dbraw/zinc/53/89/69/325538969.db2.gz MJWXCTJILWUQMV-RDBSUJKOSA-N 0 3 249.402 3.287 20 0 BGADHN CCCN1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C ZINC000246046165 644559850 /nfs/dbraw/zinc/55/98/50/644559850.db2.gz BGLMEFZMRWEQHL-NFAWXSAZSA-N 0 3 233.355 3.247 20 0 BGADHN CCCN1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C ZINC000246046172 644559310 /nfs/dbraw/zinc/55/93/10/644559310.db2.gz BGLMEFZMRWEQHL-UMVBOHGHSA-N 0 3 233.355 3.247 20 0 BGADHN CCCN1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000246046178 644559295 /nfs/dbraw/zinc/55/92/95/644559295.db2.gz BGLMEFZMRWEQHL-VNHYZAJKSA-N 0 3 233.355 3.247 20 0 BGADHN CCCC[C@@H]1CCC[C@@H]1N[C@H](C)c1nccn1C ZINC000246047342 388614295 /nfs/dbraw/zinc/61/42/95/388614295.db2.gz OZPBWGPOFOUACV-MCIONIFRSA-N 0 3 249.402 3.430 20 0 BGADHN CCCC[C@@H]1CCC[C@H]1N[C@H](C)c1nccn1C ZINC000246047347 388614477 /nfs/dbraw/zinc/61/44/77/388614477.db2.gz OZPBWGPOFOUACV-MGPQQGTHSA-N 0 3 249.402 3.430 20 0 BGADHN C[C@H](c1ccccc1)N1CCS[C@H](C)C1 ZINC000246068955 388005328 /nfs/dbraw/zinc/00/53/28/388005328.db2.gz BMHJXLDHZTZAPY-VXGBXAGGSA-N 0 3 221.369 3.185 20 0 BGADHN CC[C@H](NC[C@H]1CCCC[C@H]1C)c1nccn1C ZINC000246075611 349094024 /nfs/dbraw/zinc/09/40/24/349094024.db2.gz UEADDQVREPHQSA-MCIONIFRSA-N 0 3 249.402 3.287 20 0 BGADHN CC[C@H](NC[C@@H]1CCCC[C@H]1C)c1nccn1C ZINC000246075615 349093753 /nfs/dbraw/zinc/09/37/53/349093753.db2.gz UEADDQVREPHQSA-RDBSUJKOSA-N 0 3 249.402 3.287 20 0 BGADHN C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1CC1CC1 ZINC000246090882 644562478 /nfs/dbraw/zinc/56/24/78/644562478.db2.gz VCAGKROMZSIQMG-IOASZLSFSA-N 0 3 245.366 3.247 20 0 BGADHN C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1CC1CC1 ZINC000246090890 644562736 /nfs/dbraw/zinc/56/27/36/644562736.db2.gz VCAGKROMZSIQMG-XJKCOSOUSA-N 0 3 245.366 3.247 20 0 BGADHN CC[C@@H]1C[C@H](C)CC[C@H]1NCc1cc(C)no1 ZINC000246093167 388008689 /nfs/dbraw/zinc/00/86/89/388008689.db2.gz ITYRGKIMSAKPBA-MPKXVKKWSA-N 0 3 236.359 3.287 20 0 BGADHN CC[C@@H]1C[C@@H](C)CC[C@H]1NCc1cc(C)no1 ZINC000246093181 388008958 /nfs/dbraw/zinc/00/89/58/388008958.db2.gz ITYRGKIMSAKPBA-ZKYQVNSYSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1ccccc1[C@@H]1CN(CC2CC2)[C@@H](C)CO1 ZINC000246093531 388009065 /nfs/dbraw/zinc/00/90/65/388009065.db2.gz VNAWNMKSJFMJCB-BBRMVZONSA-N 0 3 245.366 3.167 20 0 BGADHN Cc1ccccc1[C@H]1CN(CC2CC2)[C@@H](C)CO1 ZINC000246093541 388009539 /nfs/dbraw/zinc/00/95/39/388009539.db2.gz VNAWNMKSJFMJCB-XJKSGUPXSA-N 0 3 245.366 3.167 20 0 BGADHN C[C@@H](c1ccco1)N(C[C@H]1CCCCO1)C1CC1 ZINC000246097417 388009293 /nfs/dbraw/zinc/00/92/93/388009293.db2.gz OWDSJTRZPQQVNH-GXTWGEPZSA-N 0 3 249.354 3.374 20 0 BGADHN C[C@H](c1ccco1)N(C[C@H]1CCCCO1)C1CC1 ZINC000246097425 388008364 /nfs/dbraw/zinc/00/83/64/388008364.db2.gz OWDSJTRZPQQVNH-TZMCWYRMSA-N 0 3 249.354 3.374 20 0 BGADHN C[C@H]1CCN(CCC(=O)c2ccccc2)C[C@H]1C ZINC000246112433 388617607 /nfs/dbraw/zinc/61/76/07/388617607.db2.gz NYAAGXIEZQCCHP-UONOGXRCSA-N 0 3 245.366 3.237 20 0 BGADHN C[C@@H]1CCN(CCC(=O)c2ccccc2)C[C@H]1C ZINC000246112443 388617285 /nfs/dbraw/zinc/61/72/85/388617285.db2.gz NYAAGXIEZQCCHP-ZIAGYGMSSA-N 0 3 245.366 3.237 20 0 BGADHN CCn1ccnc1CN1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000246122752 388012303 /nfs/dbraw/zinc/01/23/03/388012303.db2.gz HOSKJMXJWXFYCD-HZSPNIEDSA-N 0 3 247.386 3.056 20 0 BGADHN CCn1ccnc1CN1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000246122756 388012732 /nfs/dbraw/zinc/01/27/32/388012732.db2.gz HOSKJMXJWXFYCD-MGPQQGTHSA-N 0 3 247.386 3.056 20 0 BGADHN CCn1ccnc1CN1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000246122762 388012577 /nfs/dbraw/zinc/01/25/77/388012577.db2.gz HOSKJMXJWXFYCD-RDBSUJKOSA-N 0 3 247.386 3.056 20 0 BGADHN C[C@@H]1CCN(Cc2cncs2)C[C@@H](C)C1 ZINC000246122970 388012251 /nfs/dbraw/zinc/01/22/51/388012251.db2.gz KLJRLFMSYIAFPK-MNOVXSKESA-N 0 3 224.373 3.011 20 0 BGADHN C[C@H]1CCN(Cc2cncs2)C[C@@H](C)C1 ZINC000246122978 388012962 /nfs/dbraw/zinc/01/29/62/388012962.db2.gz KLJRLFMSYIAFPK-QWRGUYRKSA-N 0 3 224.373 3.011 20 0 BGADHN CSCCCN1CCS[C@H]2CCCC[C@H]21 ZINC000246157440 388014057 /nfs/dbraw/zinc/01/40/57/388014057.db2.gz QAZJORVCBKPJLN-NEPJUHHUSA-N 0 3 245.457 3.100 20 0 BGADHN CSCCCN1CCS[C@@H]2CCCC[C@H]21 ZINC000246157452 388014490 /nfs/dbraw/zinc/01/44/90/388014490.db2.gz QAZJORVCBKPJLN-VXGBXAGGSA-N 0 3 245.457 3.100 20 0 BGADHN Cc1csc(CN2C[C@@H](C)CCC[C@H]2C)n1 ZINC000246168640 388015263 /nfs/dbraw/zinc/01/52/63/388015263.db2.gz FHFXKMSHMSSLMK-CMPLNLGQSA-N 0 3 238.400 3.462 20 0 BGADHN Cc1csc(CN2C[C@H](C)CCC[C@H]2C)n1 ZINC000246168648 388015370 /nfs/dbraw/zinc/01/53/70/388015370.db2.gz FHFXKMSHMSSLMK-ZYHUDNBSSA-N 0 3 238.400 3.462 20 0 BGADHN CCSCCN1CCS[C@H]2CCCC[C@H]21 ZINC000246174419 388621330 /nfs/dbraw/zinc/62/13/30/388621330.db2.gz SISLIJPFYBTGFW-NEPJUHHUSA-N 0 3 245.457 3.100 20 0 BGADHN CCSCCN1CCS[C@@H]2CCCC[C@H]21 ZINC000246174425 388621936 /nfs/dbraw/zinc/62/19/36/388621936.db2.gz SISLIJPFYBTGFW-VXGBXAGGSA-N 0 3 245.457 3.100 20 0 BGADHN Cc1nc(CN2CCC[C@H](C)[C@H]2C)sc1C ZINC000246178551 388621534 /nfs/dbraw/zinc/62/15/34/388621534.db2.gz GMJMYBGZLQVMQX-GXSJLCMTSA-N 0 3 238.400 3.380 20 0 BGADHN Cc1nc(CN2CCC[C@@H](C)[C@H]2C)sc1C ZINC000246178557 323127769 /nfs/dbraw/zinc/12/77/69/323127769.db2.gz GMJMYBGZLQVMQX-MWLCHTKSSA-N 0 3 238.400 3.380 20 0 BGADHN CC(C)n1cc(CN2CC[C@H](C)C[C@H](C)C2)cn1 ZINC000246191871 388018142 /nfs/dbraw/zinc/01/81/42/388018142.db2.gz LGXFAEXQFRYLRR-KBPBESRZSA-N 0 3 249.402 3.332 20 0 BGADHN CC(C)n1cc(CN2CC[C@@H](C)C[C@H](C)C2)cn1 ZINC000246191876 388018716 /nfs/dbraw/zinc/01/87/16/388018716.db2.gz LGXFAEXQFRYLRR-KGLIPLIRSA-N 0 3 249.402 3.332 20 0 BGADHN Cc1csc(CN2C[C@@H](C)CC[C@H]2C)n1 ZINC000246219975 135082493 /nfs/dbraw/zinc/08/24/93/135082493.db2.gz LFXARJUYHFNVMX-GXSJLCMTSA-N 0 3 224.373 3.072 20 0 BGADHN Cc1csc(CN2C[C@H](C)CC[C@H]2C)n1 ZINC000246219984 411203427 /nfs/dbraw/zinc/20/34/27/411203427.db2.gz LFXARJUYHFNVMX-MWLCHTKSSA-N 0 3 224.373 3.072 20 0 BGADHN c1csc([C@@H]2CCCN([C@@H]3C=CCCC3)C2)n1 ZINC000246227967 398121371 /nfs/dbraw/zinc/12/13/71/398121371.db2.gz GCWVMWDJTUODDM-CHWSQXEVSA-N 0 3 248.395 3.431 20 0 BGADHN c1csc([C@H]2CCCN([C@@H]3C=CCCC3)C2)n1 ZINC000246227972 398121121 /nfs/dbraw/zinc/12/11/21/398121121.db2.gz GCWVMWDJTUODDM-QWHCGFSZSA-N 0 3 248.395 3.431 20 0 BGADHN Cc1csc(CN(C)[C@H]2CCC[C@@H](C)C2)n1 ZINC000246230560 388624244 /nfs/dbraw/zinc/62/42/44/388624244.db2.gz MODQWKFTRGPOLO-PWSUYJOCSA-N 0 3 238.400 3.462 20 0 BGADHN Cc1csc(CN(C)[C@@H]2CCC[C@@H](C)C2)n1 ZINC000246230566 388624884 /nfs/dbraw/zinc/62/48/84/388624884.db2.gz MODQWKFTRGPOLO-ZYHUDNBSSA-N 0 3 238.400 3.462 20 0 BGADHN Cc1nc(CN2C[C@H](C)CC[C@H]2C)sc1C ZINC000246266444 388627055 /nfs/dbraw/zinc/62/70/55/388627055.db2.gz RMNZRDPCDTVPBP-NXEZZACHSA-N 0 3 238.400 3.380 20 0 BGADHN Cc1nc(CN2C[C@@H](C)CC[C@H]2C)sc1C ZINC000246266457 388626912 /nfs/dbraw/zinc/62/69/12/388626912.db2.gz RMNZRDPCDTVPBP-VHSXEESVSA-N 0 3 238.400 3.380 20 0 BGADHN Cc1csc(CN2CCC[C@@H]3CCC[C@H]32)n1 ZINC000246273384 388442366 /nfs/dbraw/zinc/44/23/66/388442366.db2.gz SBLUELWBWLLUHI-NWDGAFQWSA-N 0 3 236.384 3.216 20 0 BGADHN Cc1csc(CN2CCC[C@H]3CCC[C@H]32)n1 ZINC000246273394 388442467 /nfs/dbraw/zinc/44/24/67/388442467.db2.gz SBLUELWBWLLUHI-VXGBXAGGSA-N 0 3 236.384 3.216 20 0 BGADHN C[C@@H](c1ccco1)N(C)[C@@H]1C=CCCC1 ZINC000246279231 388026590 /nfs/dbraw/zinc/02/65/90/388026590.db2.gz SCSBQRLDLYOMFH-NWDGAFQWSA-N 0 3 205.301 3.381 20 0 BGADHN C[C@H](c1ccco1)N(C)[C@@H]1C=CCCC1 ZINC000246279239 388026934 /nfs/dbraw/zinc/02/69/34/388026934.db2.gz SCSBQRLDLYOMFH-VXGBXAGGSA-N 0 3 205.301 3.381 20 0 BGADHN C[C@H]1c2ccccc2CCN1C[C@H]1CCCCO1 ZINC000246287771 388027755 /nfs/dbraw/zinc/02/77/55/388027755.db2.gz BLYUWNRDFSTKRZ-DZGCQCFKSA-N 0 3 245.366 3.175 20 0 BGADHN C[C@@H]1c2ccccc2CCN1C[C@H]1CCCCO1 ZINC000246287781 388027766 /nfs/dbraw/zinc/02/77/66/388027766.db2.gz BLYUWNRDFSTKRZ-UKRRQHHQSA-N 0 3 245.366 3.175 20 0 BGADHN Cc1csc(CN2CCC[C@H](C)[C@H]2C)n1 ZINC000246300747 134883899 /nfs/dbraw/zinc/88/38/99/134883899.db2.gz VGPAKCVVOIULBU-GXSJLCMTSA-N 0 3 224.373 3.072 20 0 BGADHN Cc1csc(CN2CCC[C@@H](C)[C@H]2C)n1 ZINC000246300761 388029608 /nfs/dbraw/zinc/02/96/08/388029608.db2.gz VGPAKCVVOIULBU-MWLCHTKSSA-N 0 3 224.373 3.072 20 0 BGADHN FC(F)(F)[C@@H]1CCCN([C@@H]2C=CCCC2)C1 ZINC000246303391 349092894 /nfs/dbraw/zinc/09/28/94/349092894.db2.gz WVUNCDZFIHVEFC-GHMZBOCLSA-N 0 3 233.277 3.369 20 0 BGADHN FC(F)(F)[C@@H]1CCCN([C@H]2C=CCCC2)C1 ZINC000246303413 349093716 /nfs/dbraw/zinc/09/37/16/349093716.db2.gz WVUNCDZFIHVEFC-MNOVXSKESA-N 0 3 233.277 3.369 20 0 BGADHN CC(=O)CCN1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000246332352 387074527 /nfs/dbraw/zinc/07/45/27/387074527.db2.gz LFELBFONXMNORJ-DGCLKSJQSA-N 0 3 235.327 3.032 20 0 BGADHN CC(=O)CCN1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000246332363 387074542 /nfs/dbraw/zinc/07/45/42/387074542.db2.gz LFELBFONXMNORJ-WCQYABFASA-N 0 3 235.327 3.032 20 0 BGADHN CC[C@H](N[C@H](C)c1ccc(C)o1)[C@@H]1CCCO1 ZINC000246393371 398121906 /nfs/dbraw/zinc/12/19/06/398121906.db2.gz LCXPASQHQBSWSI-DYEKYZERSA-N 0 3 237.343 3.196 20 0 BGADHN CC[C@H](N[C@H](C)c1ccc(C)o1)[C@H]1CCCO1 ZINC000246393384 398121925 /nfs/dbraw/zinc/12/19/25/398121925.db2.gz LCXPASQHQBSWSI-MBNYWOFBSA-N 0 3 237.343 3.196 20 0 BGADHN CC[C@@H]1C[C@H](C)CC[C@H]1NCc1nccs1 ZINC000246460387 325565690 /nfs/dbraw/zinc/56/56/90/325565690.db2.gz OCCKKHMRNRVHKF-IJLUTSLNSA-N 0 3 238.400 3.448 20 0 BGADHN CC[C@@H]1C[C@@H](C)CC[C@H]1NCc1nccs1 ZINC000246460408 388638218 /nfs/dbraw/zinc/63/82/18/388638218.db2.gz OCCKKHMRNRVHKF-QJPTWQEYSA-N 0 3 238.400 3.448 20 0 BGADHN CCN1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC000246462424 359105848 /nfs/dbraw/zinc/10/58/48/359105848.db2.gz WRMRBRRKBNQOHK-AAEUAGOBSA-N 0 3 221.369 3.185 20 0 BGADHN CCN1CCS[C@H](C)[C@H]1c1ccccc1 ZINC000246462435 359105633 /nfs/dbraw/zinc/10/56/33/359105633.db2.gz WRMRBRRKBNQOHK-YPMHNXCESA-N 0 3 221.369 3.185 20 0 BGADHN C[C@@H](c1ccncc1)N(C)[C@@H]1C=CCCC1 ZINC000246476950 359113557 /nfs/dbraw/zinc/11/35/57/359113557.db2.gz ORMMEESICKAOCW-GXTWGEPZSA-N 0 3 216.328 3.183 20 0 BGADHN C[C@H](c1ccncc1)N(C)[C@@H]1C=CCCC1 ZINC000246476964 359113495 /nfs/dbraw/zinc/11/34/95/359113495.db2.gz ORMMEESICKAOCW-TZMCWYRMSA-N 0 3 216.328 3.183 20 0 BGADHN C[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1nccs1 ZINC000246481463 323129213 /nfs/dbraw/zinc/12/92/13/323129213.db2.gz GPXXAFJMKKNSKR-GRYCIOLGSA-N 0 3 236.384 3.296 20 0 BGADHN C[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1nccs1 ZINC000246481469 388639007 /nfs/dbraw/zinc/63/90/07/388639007.db2.gz GPXXAFJMKKNSKR-IJLUTSLNSA-N 0 3 236.384 3.296 20 0 BGADHN Cc1csc(CN2CC[C@@H](C)C[C@@H](C)C2)n1 ZINC000246486956 135083041 /nfs/dbraw/zinc/08/30/41/135083041.db2.gz ALPIFYUDDGBKAT-GHMZBOCLSA-N 0 3 238.400 3.320 20 0 BGADHN Cc1csc(CN2CC[C@H](C)C[C@@H](C)C2)n1 ZINC000246486976 359119433 /nfs/dbraw/zinc/11/94/33/359119433.db2.gz ALPIFYUDDGBKAT-WDEREUQCSA-N 0 3 238.400 3.320 20 0 BGADHN Cc1nc(CN2C[C@H](C)CCC[C@H]2C)oc1C ZINC000246494764 374267940 /nfs/dbraw/zinc/26/79/40/374267940.db2.gz ARFTXZKLRQLJNI-GHMZBOCLSA-N 0 3 236.359 3.302 20 0 BGADHN Cc1nc(CN2C[C@@H](C)CCC[C@H]2C)oc1C ZINC000246494770 374267745 /nfs/dbraw/zinc/26/77/45/374267745.db2.gz ARFTXZKLRQLJNI-WDEREUQCSA-N 0 3 236.359 3.302 20 0 BGADHN C[C@@H]1CCCN(Cc2nc3ccccc3o2)[C@H]1C ZINC000246498306 359128279 /nfs/dbraw/zinc/12/82/79/359128279.db2.gz AVKBHLNKZSDYKL-NEPJUHHUSA-N 0 3 244.338 3.448 20 0 BGADHN C[C@H]1CCCN(Cc2nc3ccccc3o2)[C@H]1C ZINC000246498315 134949231 /nfs/dbraw/zinc/94/92/31/134949231.db2.gz AVKBHLNKZSDYKL-RYUDHWBXSA-N 0 3 244.338 3.448 20 0 BGADHN C[C@H](N[C@@H]1CC[C@@H](C)CC1)c1nccs1 ZINC000246535416 388642345 /nfs/dbraw/zinc/64/23/45/388642345.db2.gz VQQRBJVJMKQEJM-DCAQKATOSA-N 0 3 224.373 3.372 20 0 BGADHN C[C@@H](N[C@@H]1CC[C@@H](C)CC1)c1nccs1 ZINC000246535425 325571380 /nfs/dbraw/zinc/57/13/80/325571380.db2.gz VQQRBJVJMKQEJM-GMTAPVOTSA-N 0 3 224.373 3.372 20 0 BGADHN Cc1nc(CN[C@@H]2CC[C@@H](C)C[C@H]2C)oc1C ZINC000246592012 359149987 /nfs/dbraw/zinc/14/99/87/359149987.db2.gz JGRNDSFPRQXVLU-GIPNMCIBSA-N 0 3 236.359 3.206 20 0 BGADHN Cc1nc(CN[C@@H]2CC[C@H](C)C[C@H]2C)oc1C ZINC000246592018 359150091 /nfs/dbraw/zinc/15/00/91/359150091.db2.gz JGRNDSFPRQXVLU-OPQQBVKSSA-N 0 3 236.359 3.206 20 0 BGADHN Cc1nc(CN2CC[C@@H](C)C[C@@H](C)C2)cs1 ZINC000246638062 388647292 /nfs/dbraw/zinc/64/72/92/388647292.db2.gz JKEBMAAOKHITDW-GHMZBOCLSA-N 0 3 238.400 3.320 20 0 BGADHN Cc1nc(CN2CC[C@H](C)C[C@@H](C)C2)cs1 ZINC000246638070 388647494 /nfs/dbraw/zinc/64/74/94/388647494.db2.gz JKEBMAAOKHITDW-WDEREUQCSA-N 0 3 238.400 3.320 20 0 BGADHN Cc1nc(CN2CC[C@@H](C)C[C@@H](C)C2)oc1C ZINC000246643958 388444552 /nfs/dbraw/zinc/44/45/52/388444552.db2.gz JUBOGOKDVDSSOY-GHMZBOCLSA-N 0 3 236.359 3.159 20 0 BGADHN Cc1nc(CN2CC[C@H](C)C[C@@H](C)C2)oc1C ZINC000246643961 388444137 /nfs/dbraw/zinc/44/41/37/388444137.db2.gz JUBOGOKDVDSSOY-WDEREUQCSA-N 0 3 236.359 3.159 20 0 BGADHN c1coc([C@@H]2CCCCCN2C[C@H]2CCCO2)c1 ZINC000246677258 386669365 /nfs/dbraw/zinc/66/93/65/386669365.db2.gz CVVAZYXERNEEQN-KGLIPLIRSA-N 0 3 249.354 3.376 20 0 BGADHN c1coc([C@H]2CCCCCN2C[C@H]2CCCO2)c1 ZINC000246677277 386669815 /nfs/dbraw/zinc/66/98/15/386669815.db2.gz CVVAZYXERNEEQN-ZIAGYGMSSA-N 0 3 249.354 3.376 20 0 BGADHN Cc1nc(CN(C)[C@H]2CCCC[C@H]2C)cs1 ZINC000246722566 359158831 /nfs/dbraw/zinc/15/88/31/359158831.db2.gz IKMSEFVEMIVUSP-MFKMUULPSA-N 0 3 238.400 3.462 20 0 BGADHN Cc1nc(CN(C)[C@@H]2CCCC[C@H]2C)cs1 ZINC000246722593 359159087 /nfs/dbraw/zinc/15/90/87/359159087.db2.gz IKMSEFVEMIVUSP-ZWNOBZJWSA-N 0 3 238.400 3.462 20 0 BGADHN C[C@@H]1CCN(c2ccnc3ccccc32)[C@H]1C ZINC000246726911 359159837 /nfs/dbraw/zinc/15/98/37/359159837.db2.gz GKDKTUWUUJPJMP-NEPJUHHUSA-N 0 3 226.323 3.470 20 0 BGADHN C[C@H]1CCN(c2ccnc3ccccc32)[C@H]1C ZINC000246726924 359159816 /nfs/dbraw/zinc/15/98/16/359159816.db2.gz GKDKTUWUUJPJMP-RYUDHWBXSA-N 0 3 226.323 3.470 20 0 BGADHN C[C@@H]1CCN(Cc2nccs2)C[C@@H](C)C1 ZINC000246784992 359164313 /nfs/dbraw/zinc/16/43/13/359164313.db2.gz RXQNXTNTWLDICG-MNOVXSKESA-N 0 3 224.373 3.011 20 0 BGADHN C[C@H]1CCN(Cc2nccs2)C[C@@H](C)C1 ZINC000246785014 359164274 /nfs/dbraw/zinc/16/42/74/359164274.db2.gz RXQNXTNTWLDICG-QWRGUYRKSA-N 0 3 224.373 3.011 20 0 BGADHN CC[C@H](C)[C@@H](C)N[C@H](COC)c1ccc(C)o1 ZINC000246834262 359169135 /nfs/dbraw/zinc/16/91/35/359169135.db2.gz BGGANEDGOAKJBG-CYZMBNFOSA-N 0 3 239.359 3.300 20 0 BGADHN CC[C@H](C)[C@H](C)N[C@H](COC)c1ccc(C)o1 ZINC000246834279 359169006 /nfs/dbraw/zinc/16/90/06/359169006.db2.gz BGGANEDGOAKJBG-WCFLWFBJSA-N 0 3 239.359 3.300 20 0 BGADHN CC[C@@H]1CCC[C@@H](N[C@H](C)c2nccn2C)C1 ZINC000246851011 359170201 /nfs/dbraw/zinc/17/02/01/359170201.db2.gz IAQBHZUDHXLGSA-JHJVBQTASA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@@H]1CCC[C@H](N[C@H](C)c2nccn2C)C1 ZINC000246851042 359170022 /nfs/dbraw/zinc/17/00/22/359170022.db2.gz IAQBHZUDHXLGSA-UPJWGTAASA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@H](N[C@@H]1C[C@H]1C)c1ccc(F)cc1F ZINC000246872730 359171360 /nfs/dbraw/zinc/17/13/60/359171360.db2.gz CPYSCVYENXWXDK-OXHMUOHRSA-N 0 3 225.282 3.414 20 0 BGADHN CC(C)n1ccc(CN2CC[C@H](C)C[C@H](C)C2)n1 ZINC000246902854 388654582 /nfs/dbraw/zinc/65/45/82/388654582.db2.gz XTIQPIRFQNQGHG-KBPBESRZSA-N 0 3 249.402 3.332 20 0 BGADHN CC(C)n1ccc(CN2CC[C@@H](C)C[C@H](C)C2)n1 ZINC000246902877 388654781 /nfs/dbraw/zinc/65/47/81/388654781.db2.gz XTIQPIRFQNQGHG-KGLIPLIRSA-N 0 3 249.402 3.332 20 0 BGADHN CC(C)n1ccnc1CN1CC[C@H](C)C[C@H](C)C1 ZINC000246934004 388655266 /nfs/dbraw/zinc/65/52/66/388655266.db2.gz YYOLRGJFCBNWLE-KBPBESRZSA-N 0 3 249.402 3.332 20 0 BGADHN CC(C)n1ccnc1CN1CC[C@@H](C)C[C@H](C)C1 ZINC000246934014 388655286 /nfs/dbraw/zinc/65/52/86/388655286.db2.gz YYOLRGJFCBNWLE-KGLIPLIRSA-N 0 3 249.402 3.332 20 0 BGADHN C[C@@H]1Cc2ccccc2CN1C[C@H]1CCCCO1 ZINC000246942487 359175367 /nfs/dbraw/zinc/17/53/67/359175367.db2.gz QUUZVMDPIYQRQV-CZUORRHYSA-N 0 3 245.366 3.002 20 0 BGADHN C[C@H]1Cc2ccccc2CN1C[C@H]1CCCCO1 ZINC000246942512 359176166 /nfs/dbraw/zinc/17/61/66/359176166.db2.gz QUUZVMDPIYQRQV-XJKSGUPXSA-N 0 3 245.366 3.002 20 0 BGADHN C[C@H]1CCN(Cc2ccc(F)cc2F)[C@H]1C ZINC000246955426 359177312 /nfs/dbraw/zinc/17/73/12/359177312.db2.gz NZFXEZMYNGLBEQ-UWVGGRQHSA-N 0 3 225.282 3.195 20 0 BGADHN C[C@@H]1CCN(Cc2ccc(F)cc2F)[C@H]1C ZINC000246955464 359177343 /nfs/dbraw/zinc/17/73/43/359177343.db2.gz NZFXEZMYNGLBEQ-ZJUUUORDSA-N 0 3 225.282 3.195 20 0 BGADHN CC(C)CO[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000246997788 388655784 /nfs/dbraw/zinc/65/57/84/388655784.db2.gz CYAUXVDLHWGZHF-GDBMZVCRSA-N 0 3 247.382 3.495 20 0 BGADHN CC(C)CO[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000246997810 388656738 /nfs/dbraw/zinc/65/67/38/388656738.db2.gz CYAUXVDLHWGZHF-ZBFHGGJFSA-N 0 3 247.382 3.495 20 0 BGADHN Cc1ncc(CN2CCC[C@@H](C)[C@H]2C)s1 ZINC000247003661 359182684 /nfs/dbraw/zinc/18/26/84/359182684.db2.gz TYGYNDZKVRHJFV-NXEZZACHSA-N 0 3 224.373 3.072 20 0 BGADHN Cc1ncc(CN2CCC[C@H](C)[C@H]2C)s1 ZINC000247003680 359182474 /nfs/dbraw/zinc/18/24/74/359182474.db2.gz TYGYNDZKVRHJFV-VHSXEESVSA-N 0 3 224.373 3.072 20 0 BGADHN CCCC[C@@H]1CCC[C@@H]1N[C@H](C)c1cnccn1 ZINC000247015645 388657536 /nfs/dbraw/zinc/65/75/36/388657536.db2.gz MNQORNHBIFJFJJ-MCIONIFRSA-N 0 3 247.386 3.486 20 0 BGADHN CCCC[C@@H]1CCC[C@H]1N[C@H](C)c1cnccn1 ZINC000247015666 325584411 /nfs/dbraw/zinc/58/44/11/325584411.db2.gz MNQORNHBIFJFJJ-MGPQQGTHSA-N 0 3 247.386 3.486 20 0 BGADHN C[C@H]1CCN(Cc2nc3cc(F)ccc3o2)[C@H]1C ZINC000247023393 359185825 /nfs/dbraw/zinc/18/58/25/359185825.db2.gz HMWODEREFWAFOX-UWVGGRQHSA-N 0 3 248.301 3.197 20 0 BGADHN C[C@@H]1CCN(Cc2nc3cc(F)ccc3o2)[C@H]1C ZINC000247023402 359185370 /nfs/dbraw/zinc/18/53/70/359185370.db2.gz HMWODEREFWAFOX-ZJUUUORDSA-N 0 3 248.301 3.197 20 0 BGADHN CC[C@@H]1CCC[C@@H](N[C@H](C)c2cnccn2)C1 ZINC000247024937 350842416 /nfs/dbraw/zinc/84/24/16/350842416.db2.gz UYTYYXCJIZFMLX-JHJVBQTASA-N 0 3 233.359 3.096 20 0 BGADHN CC[C@@H]1CCC[C@H](N[C@H](C)c2cnccn2)C1 ZINC000247024949 350843615 /nfs/dbraw/zinc/84/36/15/350843615.db2.gz UYTYYXCJIZFMLX-UPJWGTAASA-N 0 3 233.359 3.096 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)o1 ZINC000247065801 386695382 /nfs/dbraw/zinc/69/53/82/386695382.db2.gz XYHYORRSLRQORI-CDGCEXEKSA-N 0 3 249.354 3.052 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)o1 ZINC000247065819 386696192 /nfs/dbraw/zinc/69/61/92/386696192.db2.gz XYHYORRSLRQORI-OIMNJJJWSA-N 0 3 249.354 3.052 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)o1 ZINC000247065835 386694829 /nfs/dbraw/zinc/69/48/29/386694829.db2.gz XYHYORRSLRQORI-UNJBNNCHSA-N 0 3 249.354 3.052 20 0 BGADHN CN1CCN([C@@H]2C=CCCC2)C2(CCCCC2)C1 ZINC000247127843 397982537 /nfs/dbraw/zinc/98/25/37/397982537.db2.gz SBVZISHQZPPESE-OAHLLOKOSA-N 0 3 248.414 3.045 20 0 BGADHN COC[C@H](N[C@@H]1CC[C@@H](C)C1)c1ccc(C)o1 ZINC000247140627 134972385 /nfs/dbraw/zinc/97/23/85/134972385.db2.gz QWHKYNZVNXMVTL-RTXFEEFZSA-N 0 3 237.343 3.054 20 0 BGADHN COC[C@H](N[C@H]1CC[C@@H](C)C1)c1ccc(C)o1 ZINC000247140639 359196022 /nfs/dbraw/zinc/19/60/22/359196022.db2.gz QWHKYNZVNXMVTL-WXHSDQCUSA-N 0 3 237.343 3.054 20 0 BGADHN Cc1nc(CN2C[C@H](C)CCC[C@H]2C)cs1 ZINC000247142692 135085618 /nfs/dbraw/zinc/08/56/18/135085618.db2.gz ZULXTMSVIJSYCQ-GHMZBOCLSA-N 0 3 238.400 3.462 20 0 BGADHN Cc1nc(CN2C[C@@H](C)CCC[C@H]2C)cs1 ZINC000247142704 359196333 /nfs/dbraw/zinc/19/63/33/359196333.db2.gz ZULXTMSVIJSYCQ-WDEREUQCSA-N 0 3 238.400 3.462 20 0 BGADHN CC[C@H](C)N1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000247157747 388659627 /nfs/dbraw/zinc/65/96/27/388659627.db2.gz KLBZHMZVNVSQFE-GUTXKFCHSA-N 0 3 233.355 3.247 20 0 BGADHN CC[C@H](C)N1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000247157754 388659561 /nfs/dbraw/zinc/65/95/61/388659561.db2.gz KLBZHMZVNVSQFE-GZBFAFLISA-N 0 3 233.355 3.247 20 0 BGADHN CC[C@H](C)N1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000247157766 388659631 /nfs/dbraw/zinc/65/96/31/388659631.db2.gz KLBZHMZVNVSQFE-KCQAQPDRSA-N 0 3 233.355 3.247 20 0 BGADHN C[C@H]1CN(CC2CCC2)C[C@@H](c2ccccc2)O1 ZINC000247186246 388660520 /nfs/dbraw/zinc/66/05/20/388660520.db2.gz BNSVPGVGDBSECV-BBRMVZONSA-N 0 3 245.366 3.249 20 0 BGADHN C[C@@H]1CN(CC2CCC2)C[C@@H](c2ccccc2)O1 ZINC000247186263 388660714 /nfs/dbraw/zinc/66/07/14/388660714.db2.gz BNSVPGVGDBSECV-CJNGLKHVSA-N 0 3 245.366 3.249 20 0 BGADHN CC[C@H](C)[C@@H](C)N[C@H](C)c1nccs1 ZINC000247195139 171366304 /nfs/dbraw/zinc/36/63/04/171366304.db2.gz UBBRIGHVOJRCRT-IVZWLZJFSA-N 0 3 212.362 3.228 20 0 BGADHN CC[C@H](C)[C@H](C)N[C@H](C)c1nccs1 ZINC000247195144 171391155 /nfs/dbraw/zinc/39/11/55/171391155.db2.gz UBBRIGHVOJRCRT-LPEHRKFASA-N 0 3 212.362 3.228 20 0 BGADHN Cc1noc(C)c1CN1CCC[C@@H]2CCC[C@H]21 ZINC000247243987 388661285 /nfs/dbraw/zinc/66/12/85/388661285.db2.gz DPQGQGPYENWTGF-GXTWGEPZSA-N 0 3 234.343 3.056 20 0 BGADHN Cc1noc(C)c1CN1CCC[C@H]2CCC[C@H]21 ZINC000247243996 384091282 /nfs/dbraw/zinc/09/12/82/384091282.db2.gz DPQGQGPYENWTGF-TZMCWYRMSA-N 0 3 234.343 3.056 20 0 BGADHN Cc1cnc(CN[C@H]2[C@H](C)CCC[C@@H]2C)s1 ZINC000247245628 359203061 /nfs/dbraw/zinc/20/30/61/359203061.db2.gz XYMRLVYJSABSHR-IWIIMEHWSA-N 0 3 238.400 3.366 20 0 BGADHN C[C@H]1CCN(Cc2cc(F)cc(F)c2)[C@H]1C ZINC000247247357 359204639 /nfs/dbraw/zinc/20/46/39/359204639.db2.gz WZUUUHAIGKYWQA-UWVGGRQHSA-N 0 3 225.282 3.195 20 0 BGADHN C[C@@H]1CCN(Cc2cc(F)cc(F)c2)[C@H]1C ZINC000247247362 359205096 /nfs/dbraw/zinc/20/50/96/359205096.db2.gz WZUUUHAIGKYWQA-ZJUUUORDSA-N 0 3 225.282 3.195 20 0 BGADHN C1=C[C@H](N2CCC[C@H]3CCC[C@H]32)CCC1 ZINC000247357720 388663067 /nfs/dbraw/zinc/66/30/67/388663067.db2.gz HCLCDMNNYCTPHN-HZSPNIEDSA-N 0 3 205.345 3.360 20 0 BGADHN C1=C[C@H](N2CCC[C@@H]3CCC[C@@H]32)CCC1 ZINC000247357731 388663126 /nfs/dbraw/zinc/66/31/26/388663126.db2.gz HCLCDMNNYCTPHN-IHRRRGAJSA-N 0 3 205.345 3.360 20 0 BGADHN C1=C[C@H](N2CCC[C@@H]3CCC[C@H]32)CCC1 ZINC000247357743 388662698 /nfs/dbraw/zinc/66/26/98/388662698.db2.gz HCLCDMNNYCTPHN-MELADBBJSA-N 0 3 205.345 3.360 20 0 BGADHN CSCCN1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000247364950 359215624 /nfs/dbraw/zinc/21/56/24/359215624.db2.gz RAPZOIPFRZHEEF-DGCLKSJQSA-N 0 3 221.369 3.042 20 0 BGADHN CSCCN1C[C@H](C)[C@@H]1c1ccccc1 ZINC000247364957 359215656 /nfs/dbraw/zinc/21/56/56/359215656.db2.gz RAPZOIPFRZHEEF-WCQYABFASA-N 0 3 221.369 3.042 20 0 BGADHN C[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cscn1 ZINC000247452128 388664117 /nfs/dbraw/zinc/66/41/17/388664117.db2.gz HNYPXVMKAHMPLF-NQBHXWOUSA-N 0 3 236.384 3.296 20 0 BGADHN C[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1cscn1 ZINC000247452135 388663757 /nfs/dbraw/zinc/66/37/57/388663757.db2.gz HNYPXVMKAHMPLF-NTZNESFSSA-N 0 3 236.384 3.296 20 0 BGADHN C[C@@H]1CCN(C[C@@H]2CCCO2)[C@@H](c2ccco2)C1 ZINC000247482374 359224560 /nfs/dbraw/zinc/22/45/60/359224560.db2.gz KFVDHONTWCFIGL-HZSPNIEDSA-N 0 3 249.354 3.232 20 0 BGADHN C[C@@H]1CCN(C[C@H]2CCCO2)[C@H](c2ccco2)C1 ZINC000247482376 359224333 /nfs/dbraw/zinc/22/43/33/359224333.db2.gz KFVDHONTWCFIGL-MCIONIFRSA-N 0 3 249.354 3.232 20 0 BGADHN C[C@@H]1CCN(C[C@H]2CCCO2)[C@@H](c2ccco2)C1 ZINC000247482382 359224402 /nfs/dbraw/zinc/22/44/02/359224402.db2.gz KFVDHONTWCFIGL-MGPQQGTHSA-N 0 3 249.354 3.232 20 0 BGADHN Cc1cc(CN2[C@H](C)C[C@H]3CCCC[C@H]32)no1 ZINC000247503365 388665173 /nfs/dbraw/zinc/66/51/73/388665173.db2.gz LXFSWMOLNGEQQQ-MPKXVKKWSA-N 0 3 234.343 3.136 20 0 BGADHN Cc1cc(CN2[C@H](C)C[C@@H]3CCCC[C@@H]32)no1 ZINC000247503372 388664787 /nfs/dbraw/zinc/66/47/87/388664787.db2.gz LXFSWMOLNGEQQQ-OSMZGAPFSA-N 0 3 234.343 3.136 20 0 BGADHN Cc1cc(CN2[C@H](C)C[C@@H]3CCCC[C@H]32)no1 ZINC000247503379 388664863 /nfs/dbraw/zinc/66/48/63/388664863.db2.gz LXFSWMOLNGEQQQ-SCDSUCTJSA-N 0 3 234.343 3.136 20 0 BGADHN CC(C)CN1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000247508482 388665677 /nfs/dbraw/zinc/66/56/77/388665677.db2.gz MHZWSVXRICFSKF-DZGCQCFKSA-N 0 3 233.355 3.104 20 0 BGADHN CC(C)CN1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000247508492 388665207 /nfs/dbraw/zinc/66/52/07/388665207.db2.gz MHZWSVXRICFSKF-UKRRQHHQSA-N 0 3 233.355 3.104 20 0 BGADHN Cc1ncc(CN2C[C@H](C)CC[C@H]2C)s1 ZINC000247509596 180146730 /nfs/dbraw/zinc/14/67/30/180146730.db2.gz MJDBYXFNOTVAIN-NXEZZACHSA-N 0 3 224.373 3.072 20 0 BGADHN Cc1ncc(CN2C[C@@H](C)CC[C@H]2C)s1 ZINC000247509608 180144860 /nfs/dbraw/zinc/14/48/60/180144860.db2.gz MJDBYXFNOTVAIN-VHSXEESVSA-N 0 3 224.373 3.072 20 0 BGADHN Cc1ncc(CN2CCC[C@H]3CCC[C@H]32)s1 ZINC000247515605 384190506 /nfs/dbraw/zinc/19/05/06/384190506.db2.gz MWSNISJVCPMVDO-DGCLKSJQSA-N 0 3 236.384 3.216 20 0 BGADHN Cc1ncc(CN2CCC[C@@H]3CCC[C@H]32)s1 ZINC000247515614 384189834 /nfs/dbraw/zinc/18/98/34/384189834.db2.gz MWSNISJVCPMVDO-WCQYABFASA-N 0 3 236.384 3.216 20 0 BGADHN Cc1cnc(CN2CCC[C@H]3CCCC[C@H]32)o1 ZINC000247515820 344303054 /nfs/dbraw/zinc/30/30/54/344303054.db2.gz MXOOFKCUNOTQNC-CHWSQXEVSA-N 0 3 234.343 3.138 20 0 BGADHN Cc1cnc(CN2CCC[C@@H]3CCCC[C@H]32)o1 ZINC000247515830 344303152 /nfs/dbraw/zinc/30/31/52/344303152.db2.gz MXOOFKCUNOTQNC-QWHCGFSZSA-N 0 3 234.343 3.138 20 0 BGADHN C[C@H](c1ccccc1F)N1CCC[C@H]1C ZINC000247522976 359230690 /nfs/dbraw/zinc/23/06/90/359230690.db2.gz NODITEJSOZJACX-GHMZBOCLSA-N 0 3 207.292 3.371 20 0 BGADHN C[C@H](c1ccccc1F)N1CCC[C@@H]1C ZINC000247522981 135086203 /nfs/dbraw/zinc/08/62/03/135086203.db2.gz NODITEJSOZJACX-WDEREUQCSA-N 0 3 207.292 3.371 20 0 BGADHN Cc1cnc(CN2[C@H](C)C[C@@H]3CCCC[C@H]32)o1 ZINC000247535737 388666455 /nfs/dbraw/zinc/66/64/55/388666455.db2.gz OQZNDFZVYLUVAA-KGYLQXTDSA-N 0 3 234.343 3.136 20 0 BGADHN Cc1cnc(CN2[C@H](C)C[C@H]3CCCC[C@H]32)o1 ZINC000247535744 388666430 /nfs/dbraw/zinc/66/64/30/388666430.db2.gz OQZNDFZVYLUVAA-RAIGVLPGSA-N 0 3 234.343 3.136 20 0 BGADHN Cc1cnc(CN2[C@H](C)C[C@@H]3CCCC[C@@H]32)o1 ZINC000247535752 388665985 /nfs/dbraw/zinc/66/59/85/388665985.db2.gz OQZNDFZVYLUVAA-WXHSDQCUSA-N 0 3 234.343 3.136 20 0 BGADHN CCOCCN1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000247574884 359235598 /nfs/dbraw/zinc/23/55/98/359235598.db2.gz SDHTXHYNXDOWGT-OLZOCXBDSA-N 0 3 237.343 3.089 20 0 BGADHN CCOCCN1CC[C@H](C)C[C@H]1c1ccco1 ZINC000247574893 359235398 /nfs/dbraw/zinc/23/53/98/359235398.db2.gz SDHTXHYNXDOWGT-STQMWFEESA-N 0 3 237.343 3.089 20 0 BGADHN CSCCN1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000247690732 359240772 /nfs/dbraw/zinc/24/07/72/359240772.db2.gz VVNPDONZDBHYAG-NWDGAFQWSA-N 0 3 239.384 3.416 20 0 BGADHN CSCCN1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000247690735 359240860 /nfs/dbraw/zinc/24/08/60/359240860.db2.gz VVNPDONZDBHYAG-VXGBXAGGSA-N 0 3 239.384 3.416 20 0 BGADHN CCCCN1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000247691553 388668439 /nfs/dbraw/zinc/66/84/39/388668439.db2.gz WAPIGXUXXYOPHY-HIFRSBDPSA-N 0 3 233.355 3.249 20 0 BGADHN CCCCN1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000247691555 384845896 /nfs/dbraw/zinc/84/58/96/384845896.db2.gz WAPIGXUXXYOPHY-ZFWWWQNUSA-N 0 3 233.355 3.249 20 0 BGADHN CCN1CC[C@H](C)C[C@H]1c1ccc(C)o1 ZINC000247693824 359240608 /nfs/dbraw/zinc/24/06/08/359240608.db2.gz WJALFLGGJCODNY-JQWIXIFHSA-N 0 3 207.317 3.381 20 0 BGADHN CCN1CC[C@@H](C)C[C@H]1c1ccc(C)o1 ZINC000247693825 359240573 /nfs/dbraw/zinc/24/05/73/359240573.db2.gz WJALFLGGJCODNY-PWSUYJOCSA-N 0 3 207.317 3.381 20 0 BGADHN COCCCN1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000247703237 359242316 /nfs/dbraw/zinc/24/23/16/359242316.db2.gz YHXWWZYBTYHIIQ-CHWSQXEVSA-N 0 3 237.343 3.089 20 0 BGADHN COCCCN1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000247703238 359242060 /nfs/dbraw/zinc/24/20/60/359242060.db2.gz YHXWWZYBTYHIIQ-QWHCGFSZSA-N 0 3 237.343 3.089 20 0 BGADHN CC[C@@H]1CN([C@H](C)c2ccccc2)C[C@H](C)O1 ZINC000247703976 359242198 /nfs/dbraw/zinc/24/21/98/359242198.db2.gz RKPRUZDUUKOILB-GZBFAFLISA-N 0 3 233.355 3.247 20 0 BGADHN CC[C@@H]1CN([C@H](C)c2ccccc2)C[C@@H](C)O1 ZINC000247703979 359241796 /nfs/dbraw/zinc/24/17/96/359241796.db2.gz RKPRUZDUUKOILB-UMVBOHGHSA-N 0 3 233.355 3.247 20 0 BGADHN CC[C@@H]1CN([C@@H](C)c2ccccc2)C[C@@H](C)O1 ZINC000247703982 359242251 /nfs/dbraw/zinc/24/22/51/359242251.db2.gz RKPRUZDUUKOILB-VNHYZAJKSA-N 0 3 233.355 3.247 20 0 BGADHN CCN1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000247706320 359242409 /nfs/dbraw/zinc/24/24/09/359242409.db2.gz YZXNSFFHFYTQPS-GWCFXTLKSA-N 0 3 207.292 3.229 20 0 BGADHN CCN1C[C@H](C)C[C@H]1c1ccccc1F ZINC000247706322 359242109 /nfs/dbraw/zinc/24/21/09/359242109.db2.gz YZXNSFFHFYTQPS-MFKMUULPSA-N 0 3 207.292 3.229 20 0 BGADHN c1csc([C@H]2CCCN2Cc2ccncc2)c1 ZINC000247823389 398177652 /nfs/dbraw/zinc/17/76/52/398177652.db2.gz IBAJMHQKTUAQQT-CYBMUJFWSA-N 0 3 244.363 3.480 20 0 BGADHN c1csc([C@@H]2CCCN2Cc2ccncc2)c1 ZINC000247823393 398177674 /nfs/dbraw/zinc/17/76/74/398177674.db2.gz IBAJMHQKTUAQQT-ZDUSSCGKSA-N 0 3 244.363 3.480 20 0 BGADHN CC[C@H](O)CN(C)[C@H](C)c1cc2ccccc2o1 ZINC000247875323 359247243 /nfs/dbraw/zinc/24/72/43/359247243.db2.gz YKRZMOFBQNKWDD-YPMHNXCESA-N 0 3 247.338 3.197 20 0 BGADHN C[C@@H]1CN(CCCF)[C@H]1c1ccccc1 ZINC000247968105 136373410 /nfs/dbraw/zinc/37/34/10/136373410.db2.gz HASNJNNOMVTARV-DGCLKSJQSA-N 0 3 207.292 3.039 20 0 BGADHN C[C@H]1CN(CCCF)[C@H]1c1ccccc1 ZINC000247968107 136373634 /nfs/dbraw/zinc/37/36/34/136373634.db2.gz HASNJNNOMVTARV-WCQYABFASA-N 0 3 207.292 3.039 20 0 BGADHN CC(C)N(Cc1ccccc1)Cc1cccnc1 ZINC000248009917 359251840 /nfs/dbraw/zinc/25/18/40/359251840.db2.gz QQJIPONICRKHET-UHFFFAOYSA-N 0 3 240.350 3.492 20 0 BGADHN CCCN(Cc1ccccc1)Cc1ccncc1 ZINC000248018540 169178015 /nfs/dbraw/zinc/17/80/15/169178015.db2.gz TXPJTQRUJSIZEM-UHFFFAOYSA-N 0 3 240.350 3.494 20 0 BGADHN CCCN(Cc1ccccc1)Cc1cccnc1 ZINC000248034965 169177043 /nfs/dbraw/zinc/17/70/43/169177043.db2.gz YXISFBAVTKZLBH-UHFFFAOYSA-N 0 3 240.350 3.494 20 0 BGADHN CCCOc1ccc(CN2CCCCC2)cc1 ZINC000248083472 388672769 /nfs/dbraw/zinc/67/27/69/388672769.db2.gz QYJYALJRLCCORX-UHFFFAOYSA-N 0 3 233.355 3.461 20 0 BGADHN C[C@H]1CCCCN1CCOc1ccccc1F ZINC000248109853 359254233 /nfs/dbraw/zinc/25/42/33/359254233.db2.gz QLILWUJFZIPGML-LBPRGKRZSA-N 0 3 237.318 3.079 20 0 BGADHN c1csc([C@H]2CCCN2Cc2ccccn2)c1 ZINC000248120194 183398804 /nfs/dbraw/zinc/39/88/04/183398804.db2.gz UXAAABBULPOSIU-CYBMUJFWSA-N 0 3 244.363 3.480 20 0 BGADHN c1csc([C@@H]2CCCN2Cc2ccccn2)c1 ZINC000248120198 183399110 /nfs/dbraw/zinc/39/91/10/183399110.db2.gz UXAAABBULPOSIU-ZDUSSCGKSA-N 0 3 244.363 3.480 20 0 BGADHN C[C@H]1CCN(CCCF)[C@@H](c2ccco2)C1 ZINC000248132071 359256496 /nfs/dbraw/zinc/25/64/96/359256496.db2.gz OORJDGKHZBOXJK-NWDGAFQWSA-N 0 3 225.307 3.412 20 0 BGADHN C[C@@H]1CCN(CCCF)[C@@H](c2ccco2)C1 ZINC000248132075 359256373 /nfs/dbraw/zinc/25/63/73/359256373.db2.gz OORJDGKHZBOXJK-VXGBXAGGSA-N 0 3 225.307 3.412 20 0 BGADHN CC[C@H]1CN([C@H](C)c2ccccc2C)CCO1 ZINC000248159299 359255432 /nfs/dbraw/zinc/25/54/32/359255432.db2.gz RXHPUZVQTUCTGB-KGLIPLIRSA-N 0 3 233.355 3.167 20 0 BGADHN CC[C@@H]1CN([C@H](C)c2ccccc2C)CCO1 ZINC000248159301 359255371 /nfs/dbraw/zinc/25/53/71/359255371.db2.gz RXHPUZVQTUCTGB-ZIAGYGMSSA-N 0 3 233.355 3.167 20 0 BGADHN CCN(Cc1ccncc1)Cc1ccccc1C ZINC000248166907 350856691 /nfs/dbraw/zinc/85/66/91/350856691.db2.gz SCVAXJVWSLWJDW-UHFFFAOYSA-N 0 3 240.350 3.412 20 0 BGADHN CCCCN1CCN(c2cccc(C)c2C)CC1 ZINC000248221275 388674922 /nfs/dbraw/zinc/67/49/22/388674922.db2.gz HXBTZPUMRQCMRF-UHFFFAOYSA-N 0 3 246.398 3.226 20 0 BGADHN CC(C)CN1CCN([C@@H](C)c2ccccc2)CC1 ZINC000248227791 535106156 /nfs/dbraw/zinc/10/61/56/535106156.db2.gz JVIKCXGEYKWSIM-HNNXBMFYSA-N 0 3 246.398 3.021 20 0 BGADHN CC(C)CN1CCN([C@H](C)c2ccccc2)CC1 ZINC000248227793 359260682 /nfs/dbraw/zinc/26/06/82/359260682.db2.gz JVIKCXGEYKWSIM-OAHLLOKOSA-N 0 3 246.398 3.021 20 0 BGADHN CCCCCN(C)Cc1ccccc1F ZINC000248251559 388675516 /nfs/dbraw/zinc/67/55/16/388675516.db2.gz JDWBLNIKJMRMAQ-UHFFFAOYSA-N 0 3 209.308 3.448 20 0 BGADHN CCN(Cc1ccccc1)C[C@H]1CCCCO1 ZINC000248271733 359261150 /nfs/dbraw/zinc/26/11/50/359261150.db2.gz WALYLKVJUUHRLU-OAHLLOKOSA-N 0 3 233.355 3.078 20 0 BGADHN Cc1csc(CN(C)[C@H]2CCCC[C@H]2C)n1 ZINC000248297140 359261199 /nfs/dbraw/zinc/26/11/99/359261199.db2.gz ZIRJWQKEQPAVNW-PWSUYJOCSA-N 0 3 238.400 3.462 20 0 BGADHN Cc1csc(CN(C)[C@@H]2CCCC[C@H]2C)n1 ZINC000248297142 359261208 /nfs/dbraw/zinc/26/12/08/359261208.db2.gz ZIRJWQKEQPAVNW-ZYHUDNBSSA-N 0 3 238.400 3.462 20 0 BGADHN C[C@H]1CCN(Cc2cccc(F)c2F)[C@H]1C ZINC000248331525 359264832 /nfs/dbraw/zinc/26/48/32/359264832.db2.gz DYWNJBPBGSALDR-UWVGGRQHSA-N 0 3 225.282 3.195 20 0 BGADHN C[C@@H]1CCN(Cc2cccc(F)c2F)[C@H]1C ZINC000248331526 359263826 /nfs/dbraw/zinc/26/38/26/359263826.db2.gz DYWNJBPBGSALDR-ZJUUUORDSA-N 0 3 225.282 3.195 20 0 BGADHN C[C@@H]1CCN(Cc2nc3ccccc3o2)[C@H]1C ZINC000248335933 359265282 /nfs/dbraw/zinc/26/52/82/359265282.db2.gz GUHMAKQCSOXMLO-MNOVXSKESA-N 0 3 230.311 3.058 20 0 BGADHN C[C@H]1CCN(Cc2nc3ccccc3o2)[C@H]1C ZINC000248335934 359265374 /nfs/dbraw/zinc/26/53/74/359265374.db2.gz GUHMAKQCSOXMLO-QWRGUYRKSA-N 0 3 230.311 3.058 20 0 BGADHN COC[C@@H](C)CN(C)[C@H](C)c1ccccc1F ZINC000248337155 388676065 /nfs/dbraw/zinc/67/60/65/388676065.db2.gz HHPHFCDTBWORKJ-NWDGAFQWSA-N 0 3 239.334 3.101 20 0 BGADHN COC[C@H](C)CN(C)[C@H](C)c1ccccc1F ZINC000248337157 388676424 /nfs/dbraw/zinc/67/64/24/388676424.db2.gz HHPHFCDTBWORKJ-VXGBXAGGSA-N 0 3 239.334 3.101 20 0 BGADHN CC(C)OCCCN1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000248342657 359267041 /nfs/dbraw/zinc/26/70/41/359267041.db2.gz JQVOQCPEEINZGN-GDBMZVCRSA-N 0 3 247.382 3.495 20 0 BGADHN CC(C)OCCCN1C[C@H](C)[C@@H]1c1ccccc1 ZINC000248342658 359266770 /nfs/dbraw/zinc/26/67/70/359266770.db2.gz JQVOQCPEEINZGN-GOEBONIOSA-N 0 3 247.382 3.495 20 0 BGADHN COc1ccc(CN2CC[C@@H](C)[C@@H]2C)cc1F ZINC000248345844 359269174 /nfs/dbraw/zinc/26/91/74/359269174.db2.gz NGIIYVFHQFYEOV-MNOVXSKESA-N 0 3 237.318 3.065 20 0 BGADHN COc1ccc(CN2CC[C@H](C)[C@@H]2C)cc1F ZINC000248345845 359269101 /nfs/dbraw/zinc/26/91/01/359269101.db2.gz NGIIYVFHQFYEOV-QWRGUYRKSA-N 0 3 237.318 3.065 20 0 BGADHN C[C@H]1CCN(Cc2ccc(F)c(F)c2)[C@H]1C ZINC000248369237 135000466 /nfs/dbraw/zinc/00/04/66/135000466.db2.gz WAWALKCXRBHPIW-UWVGGRQHSA-N 0 3 225.282 3.195 20 0 BGADHN C[C@@H]1CCN(Cc2ccc(F)c(F)c2)[C@H]1C ZINC000248369238 359271392 /nfs/dbraw/zinc/27/13/92/359271392.db2.gz WAWALKCXRBHPIW-ZJUUUORDSA-N 0 3 225.282 3.195 20 0 BGADHN C[C@H]1CCN(Cc2cc(F)ccc2F)[C@H]1C ZINC000248369461 135000946 /nfs/dbraw/zinc/00/09/46/135000946.db2.gz WHGUADSEUUGBKA-UWVGGRQHSA-N 0 3 225.282 3.195 20 0 BGADHN C[C@@H]1CCN(Cc2cc(F)ccc2F)[C@H]1C ZINC000248369462 359271173 /nfs/dbraw/zinc/27/11/73/359271173.db2.gz WHGUADSEUUGBKA-ZJUUUORDSA-N 0 3 225.282 3.195 20 0 BGADHN C[C@@H]1CCN(Cc2ccccc2F)[C@H]1C ZINC000248372464 135000280 /nfs/dbraw/zinc/00/02/80/135000280.db2.gz ZZMHXMMYGPJXQS-MNOVXSKESA-N 0 3 207.292 3.056 20 0 BGADHN C[C@H]1CCN(Cc2ccccc2F)[C@H]1C ZINC000248372465 135000387 /nfs/dbraw/zinc/00/03/87/135000387.db2.gz ZZMHXMMYGPJXQS-QWRGUYRKSA-N 0 3 207.292 3.056 20 0 BGADHN CC[C@@H](C)N1CCO[C@](C)(c2ccccc2)C1 ZINC000248375952 349127563 /nfs/dbraw/zinc/12/75/63/349127563.db2.gz YWLHCGYIVDHQDH-HIFRSBDPSA-N 0 3 233.355 3.033 20 0 BGADHN CC[C@H](C)N1CCO[C@](C)(c2ccccc2)C1 ZINC000248375954 349127461 /nfs/dbraw/zinc/12/74/61/349127461.db2.gz YWLHCGYIVDHQDH-ZFWWWQNUSA-N 0 3 233.355 3.033 20 0 BGADHN CC(C)Cn1cc(CN2CC[C@H](C)[C@H](C)C2)cn1 ZINC000248386350 388677963 /nfs/dbraw/zinc/67/79/63/388677963.db2.gz MFILEYWIJWCZJH-UONOGXRCSA-N 0 3 249.402 3.017 20 0 BGADHN CC(C)Cn1cc(CN2CC[C@@H](C)[C@H](C)C2)cn1 ZINC000248386351 388677997 /nfs/dbraw/zinc/67/79/97/388677997.db2.gz MFILEYWIJWCZJH-ZIAGYGMSSA-N 0 3 249.402 3.017 20 0 BGADHN CC(C)Cn1cc(CN2CCC[C@H](C)[C@@H]2C)cn1 ZINC000248390919 388677851 /nfs/dbraw/zinc/67/78/51/388677851.db2.gz UKFQAFUIIZBBBF-KBPBESRZSA-N 0 3 249.402 3.160 20 0 BGADHN CC(C)Cn1cc(CN2CCC[C@@H](C)[C@@H]2C)cn1 ZINC000248390921 388677946 /nfs/dbraw/zinc/67/79/46/388677946.db2.gz UKFQAFUIIZBBBF-KGLIPLIRSA-N 0 3 249.402 3.160 20 0 BGADHN CO[C@@H](C)CN(C)[C@H](C)c1cc2ccccc2o1 ZINC000248407121 135006319 /nfs/dbraw/zinc/00/63/19/135006319.db2.gz BLEMPNOXGBHAAJ-NWDGAFQWSA-N 0 3 247.338 3.461 20 0 BGADHN CO[C@H](C)CN(C)[C@H](C)c1cc2ccccc2o1 ZINC000248407122 135006945 /nfs/dbraw/zinc/00/69/45/135006945.db2.gz BLEMPNOXGBHAAJ-VXGBXAGGSA-N 0 3 247.338 3.461 20 0 BGADHN CO[C@H](C)CN(C)[C@H](C)c1cccc(Cl)c1 ZINC000248412421 135006236 /nfs/dbraw/zinc/00/62/36/135006236.db2.gz FINGEUYQRLGWDA-GHMZBOCLSA-N 0 3 241.762 3.368 20 0 BGADHN CO[C@@H](C)CN(C)[C@H](C)c1cccc(Cl)c1 ZINC000248412423 135005957 /nfs/dbraw/zinc/00/59/57/135005957.db2.gz FINGEUYQRLGWDA-WDEREUQCSA-N 0 3 241.762 3.368 20 0 BGADHN CC[C@@H]1c2ccsc2CCN1C[C@H](C)OC ZINC000248416413 535965911 /nfs/dbraw/zinc/96/59/11/535965911.db2.gz ITUJDPMIVOHMDC-CMPLNLGQSA-N 0 3 239.384 3.092 20 0 BGADHN CC[C@H]1c2ccsc2CCN1C[C@H](C)OC ZINC000248416414 135008352 /nfs/dbraw/zinc/00/83/52/135008352.db2.gz ITUJDPMIVOHMDC-JQWIXIFHSA-N 0 3 239.384 3.092 20 0 BGADHN C[C@@H]1CN(Cc2nccs2)[C@@H]2CCCC[C@H]21 ZINC000248424621 135007887 /nfs/dbraw/zinc/00/78/87/135007887.db2.gz NPDXYOAKRGNEKU-GRYCIOLGSA-N 0 3 236.384 3.154 20 0 BGADHN C[C@@H]1CN(Cc2nccs2)[C@@H]2CCCC[C@@H]21 ZINC000248424622 135007779 /nfs/dbraw/zinc/00/77/79/135007779.db2.gz NPDXYOAKRGNEKU-IJLUTSLNSA-N 0 3 236.384 3.154 20 0 BGADHN C[C@@H]1CN(Cc2nccs2)[C@H]2CCCC[C@@H]12 ZINC000248424623 135007954 /nfs/dbraw/zinc/00/79/54/135007954.db2.gz NPDXYOAKRGNEKU-WOPDTQHZSA-N 0 3 236.384 3.154 20 0 BGADHN CO[C@H](C)CN1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000248447274 135011171 /nfs/dbraw/zinc/01/11/71/135011171.db2.gz XBDAFWKGPIAGAX-JHJVBQTASA-N 0 3 237.343 3.088 20 0 BGADHN CO[C@H](C)CN1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000248447275 135011168 /nfs/dbraw/zinc/01/11/68/135011168.db2.gz XBDAFWKGPIAGAX-YNEHKIRRSA-N 0 3 237.343 3.088 20 0 BGADHN CO[C@H](C)CN(C)[C@H](C)c1ccc(Cl)cc1 ZINC000248451469 135010219 /nfs/dbraw/zinc/01/02/19/135010219.db2.gz YIEUFDSZCDKIOC-GHMZBOCLSA-N 0 3 241.762 3.368 20 0 BGADHN CO[C@@H](C)CN(C)[C@H](C)c1ccc(Cl)cc1 ZINC000248451471 135011259 /nfs/dbraw/zinc/01/12/59/135011259.db2.gz YIEUFDSZCDKIOC-WDEREUQCSA-N 0 3 241.762 3.368 20 0 BGADHN Cc1nc(CN2C[C@H](C)[C@@H]3CCCC[C@@H]32)oc1C ZINC000248452458 135010413 /nfs/dbraw/zinc/01/04/13/135010413.db2.gz YSWDTQPJTGGWSC-BPNCWPANSA-N 0 3 248.370 3.302 20 0 BGADHN Cc1nc(CN2C[C@H](C)[C@@H]3CCCC[C@H]32)oc1C ZINC000248452459 135010736 /nfs/dbraw/zinc/01/07/36/135010736.db2.gz YSWDTQPJTGGWSC-LEWSCRJBSA-N 0 3 248.370 3.302 20 0 BGADHN Cc1nc(CN2C[C@H](C)[C@H]3CCCC[C@H]32)oc1C ZINC000248452460 135011148 /nfs/dbraw/zinc/01/11/48/135011148.db2.gz YSWDTQPJTGGWSC-ZLKJLUDKSA-N 0 3 248.370 3.302 20 0 BGADHN C[C@@H]1CN(Cc2cscn2)[C@@H]2CCCC[C@H]21 ZINC000248455772 135012384 /nfs/dbraw/zinc/01/23/84/135012384.db2.gz ZXALKYZHYIMLMM-KGYLQXTDSA-N 0 3 236.384 3.154 20 0 BGADHN C[C@@H]1CN(Cc2cscn2)[C@@H]2CCCC[C@@H]21 ZINC000248455775 135012034 /nfs/dbraw/zinc/01/20/34/135012034.db2.gz ZXALKYZHYIMLMM-RAIGVLPGSA-N 0 3 236.384 3.154 20 0 BGADHN C[C@@H]1CN(Cc2cscn2)[C@H]2CCCC[C@@H]12 ZINC000248455860 135012069 /nfs/dbraw/zinc/01/20/69/135012069.db2.gz ZXALKYZHYIMLMM-WXHSDQCUSA-N 0 3 236.384 3.154 20 0 BGADHN C[C@@H](CN(C)[C@@H]1C=CCCC1)c1nccs1 ZINC000248470051 135012362 /nfs/dbraw/zinc/01/23/62/135012362.db2.gz UZLXCMCIXYYZLF-NWDGAFQWSA-N 0 3 236.384 3.287 20 0 BGADHN C[C@H](CN(C)[C@@H]1C=CCCC1)c1nccs1 ZINC000248470054 135011981 /nfs/dbraw/zinc/01/19/81/135011981.db2.gz UZLXCMCIXYYZLF-VXGBXAGGSA-N 0 3 236.384 3.287 20 0 BGADHN Cc1noc(C)c1CN(C)[C@@H]1CCCC[C@H]1C ZINC000248527989 388682225 /nfs/dbraw/zinc/68/22/25/388682225.db2.gz IKGKLPMABUJLEI-QMTHXVAHSA-N 0 3 236.359 3.302 20 0 BGADHN Cc1noc(C)c1CN(C)[C@H]1CCCC[C@H]1C ZINC000248527992 388681924 /nfs/dbraw/zinc/68/19/24/388681924.db2.gz IKGKLPMABUJLEI-YGRLFVJLSA-N 0 3 236.359 3.302 20 0 BGADHN C[C@H](N[C@@H](C)[C@H]1CCCO1)c1ccccc1F ZINC000248532693 386772056 /nfs/dbraw/zinc/77/20/56/386772056.db2.gz RCHJAMOZYBUGEN-COPLHBTASA-N 0 3 237.318 3.044 20 0 BGADHN C[C@@H](N[C@@H](C)c1ccccc1F)[C@H]1CCCO1 ZINC000248532694 386772286 /nfs/dbraw/zinc/77/22/86/386772286.db2.gz RCHJAMOZYBUGEN-MISXGVKJSA-N 0 3 237.318 3.044 20 0 BGADHN C[C@H](N[C@@H](C)[C@H]1CCCO1)c1ccc(F)cc1 ZINC000248532708 386770207 /nfs/dbraw/zinc/77/02/07/386770207.db2.gz RESLWEBVGXUAIA-COPLHBTASA-N 0 3 237.318 3.044 20 0 BGADHN C[C@@H](N[C@@H](C)c1ccc(F)cc1)[C@H]1CCCO1 ZINC000248532709 386771587 /nfs/dbraw/zinc/77/15/87/386771587.db2.gz RESLWEBVGXUAIA-MISXGVKJSA-N 0 3 237.318 3.044 20 0 BGADHN CC(C)n1ccnc1CN[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000248539804 135003891 /nfs/dbraw/zinc/00/38/91/135003891.db2.gz AZACBWXNBGGAQS-HZSPNIEDSA-N 0 3 249.402 3.378 20 0 BGADHN CC(C)n1ccnc1CN[C@H]1CCC[C@@H](C)[C@@H]1C ZINC000248539806 135003667 /nfs/dbraw/zinc/00/36/67/135003667.db2.gz AZACBWXNBGGAQS-RDBSUJKOSA-N 0 3 249.402 3.378 20 0 BGADHN CC(C)n1ccnc1CN[C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000248543348 135003764 /nfs/dbraw/zinc/00/37/64/135003764.db2.gz CZQQMXYFELMBIT-HZSPNIEDSA-N 0 3 249.402 3.378 20 0 BGADHN CC(C)n1ccnc1CN[C@H]1CC[C@@H](C)C[C@@H]1C ZINC000248543350 135004171 /nfs/dbraw/zinc/00/41/71/135004171.db2.gz CZQQMXYFELMBIT-RDBSUJKOSA-N 0 3 249.402 3.378 20 0 BGADHN Cc1ccc(CN2CCC[C@H]3CCC[C@H]32)c(C)n1 ZINC000248585257 135014356 /nfs/dbraw/zinc/01/43/56/135014356.db2.gz XJXRNZCAHYMYRR-GDBMZVCRSA-N 0 3 244.382 3.463 20 0 BGADHN Cc1ccc(CN2CCC[C@@H]3CCC[C@H]32)c(C)n1 ZINC000248585260 135015443 /nfs/dbraw/zinc/01/54/43/135015443.db2.gz XJXRNZCAHYMYRR-GOEBONIOSA-N 0 3 244.382 3.463 20 0 BGADHN CC1(C)CC[C@H](CN2CCC[C@H]2c2ccco2)O1 ZINC000248591145 135015980 /nfs/dbraw/zinc/01/59/80/135015980.db2.gz YNEMTYCIPZOIPR-OLZOCXBDSA-N 0 3 249.354 3.374 20 0 BGADHN CC1(C)CC[C@@H](CN2CCC[C@H]2c2ccco2)O1 ZINC000248591147 135016352 /nfs/dbraw/zinc/01/63/52/135016352.db2.gz YNEMTYCIPZOIPR-STQMWFEESA-N 0 3 249.354 3.374 20 0 BGADHN CC[C@@]1(C)CCCN([C@H](C)c2cnccn2)C1 ZINC000248596915 536039489 /nfs/dbraw/zinc/03/94/89/536039489.db2.gz AKUBELCJGCTZEC-OCCSQVGLSA-N 0 3 233.359 3.050 20 0 BGADHN CC[C@]1(C)CCCN([C@H](C)c2cnccn2)C1 ZINC000248596918 135015379 /nfs/dbraw/zinc/01/53/79/135015379.db2.gz AKUBELCJGCTZEC-TZMCWYRMSA-N 0 3 233.359 3.050 20 0 BGADHN CC[C@@H]1CCCN([C@H](C)c2cnccn2)CC1 ZINC000248612522 135017562 /nfs/dbraw/zinc/01/75/62/135017562.db2.gz IPBYHXQMZYPOLI-CHWSQXEVSA-N 0 3 233.359 3.050 20 0 BGADHN CC[C@H]1CCCN([C@H](C)c2cnccn2)CC1 ZINC000248612526 135016568 /nfs/dbraw/zinc/01/65/68/135016568.db2.gz IPBYHXQMZYPOLI-OLZOCXBDSA-N 0 3 233.359 3.050 20 0 BGADHN CC(C)[C@H]1CCCN([C@H](C)c2cnccn2)CC1 ZINC000248617322 388686344 /nfs/dbraw/zinc/68/63/44/388686344.db2.gz KTAJUIUNCYSDGN-KGLIPLIRSA-N 0 3 247.386 3.296 20 0 BGADHN CC(C)[C@@H]1CCCN([C@H](C)c2cnccn2)CC1 ZINC000248617328 388686604 /nfs/dbraw/zinc/68/66/04/388686604.db2.gz KTAJUIUNCYSDGN-ZIAGYGMSSA-N 0 3 247.386 3.296 20 0 BGADHN CC(C)C[C@@H]1CCCN([C@H](C)c2cnccn2)C1 ZINC000248619042 135017112 /nfs/dbraw/zinc/01/71/12/135017112.db2.gz LVIUVMVYMXUMIA-KGLIPLIRSA-N 0 3 247.386 3.296 20 0 BGADHN CC(C)C[C@H]1CCCN([C@H](C)c2cnccn2)C1 ZINC000248619049 135017595 /nfs/dbraw/zinc/01/75/95/135017595.db2.gz LVIUVMVYMXUMIA-ZIAGYGMSSA-N 0 3 247.386 3.296 20 0 BGADHN CCC[C@@]1(C)CCCN([C@H](C)c2cnccn2)C1 ZINC000248621934 135016891 /nfs/dbraw/zinc/01/68/91/135016891.db2.gz NITLTSGBJCKUQS-HIFRSBDPSA-N 0 3 247.386 3.440 20 0 BGADHN CCC[C@]1(C)CCCN([C@H](C)c2cnccn2)C1 ZINC000248621936 135016832 /nfs/dbraw/zinc/01/68/32/135016832.db2.gz NITLTSGBJCKUQS-UKRRQHHQSA-N 0 3 247.386 3.440 20 0 BGADHN CCC[C@@H]1CCCN([C@H](C)c2cnccn2)C1 ZINC000248643473 388688201 /nfs/dbraw/zinc/68/82/01/388688201.db2.gz ZPTDBBCYBMKUSM-CHWSQXEVSA-N 0 3 233.359 3.050 20 0 BGADHN CCC[C@H]1CCCN([C@H](C)c2cnccn2)C1 ZINC000248643475 388688494 /nfs/dbraw/zinc/68/84/94/388688494.db2.gz ZPTDBBCYBMKUSM-OLZOCXBDSA-N 0 3 233.359 3.050 20 0 BGADHN Cc1noc(C)c1CN(C)[C@H]1CCC[C@@H](C)C1 ZINC000248752580 388693406 /nfs/dbraw/zinc/69/34/06/388693406.db2.gz HQLGHOFTFWOJLK-MFKMUULPSA-N 0 3 236.359 3.302 20 0 BGADHN Cc1noc(C)c1CN(C)[C@@H]1CCC[C@@H](C)C1 ZINC000248752583 388693531 /nfs/dbraw/zinc/69/35/31/388693531.db2.gz HQLGHOFTFWOJLK-ZWNOBZJWSA-N 0 3 236.359 3.302 20 0 BGADHN CCCN(C)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000248781184 388693425 /nfs/dbraw/zinc/69/34/25/388693425.db2.gz XDZSCNADPYGTHZ-PWSUYJOCSA-N 0 3 207.317 3.245 20 0 BGADHN CCCN(C)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000248781190 388693380 /nfs/dbraw/zinc/69/33/80/388693380.db2.gz XDZSCNADPYGTHZ-ZYHUDNBSSA-N 0 3 207.317 3.245 20 0 BGADHN CO[C@@H]1CC[C@H](N[C@H](C)c2ccccc2F)C1 ZINC000248808199 388694172 /nfs/dbraw/zinc/69/41/72/388694172.db2.gz WTALTLADVCBWHP-GRYCIOLGSA-N 0 3 237.318 3.044 20 0 BGADHN CO[C@@H]1CC[C@@H](N[C@H](C)c2ccccc2F)C1 ZINC000248808205 325621777 /nfs/dbraw/zinc/62/17/77/325621777.db2.gz WTALTLADVCBWHP-IJLUTSLNSA-N 0 3 237.318 3.044 20 0 BGADHN CO[C@@H]1CC[C@H](NCc2ccc([C@H]3C[C@H]3C)o2)C1 ZINC000248809734 388693991 /nfs/dbraw/zinc/69/39/91/388693991.db2.gz XCOIKDCWSWTGCW-CZXHOFHRSA-N 0 3 249.354 3.060 20 0 BGADHN CO[C@@H]1CC[C@H](NCc2ccc([C@H]3C[C@@H]3C)o2)C1 ZINC000248809736 388694492 /nfs/dbraw/zinc/69/44/92/388694492.db2.gz XCOIKDCWSWTGCW-FMSGJZPZSA-N 0 3 249.354 3.060 20 0 BGADHN CO[C@@H]1CC[C@H](NCc2ccc([C@@H]3C[C@H]3C)o2)C1 ZINC000248809738 325621936 /nfs/dbraw/zinc/62/19/36/325621936.db2.gz XCOIKDCWSWTGCW-GFQSEFKGSA-N 0 3 249.354 3.060 20 0 BGADHN CC[C@@H]1CN(CC[C@H](C)c2ccccc2)CCO1 ZINC000248825484 388694642 /nfs/dbraw/zinc/69/46/42/388694642.db2.gz GAOJWVRVBSBOME-GOEBONIOSA-N 0 3 247.382 3.291 20 0 BGADHN CC[C@H]1CN(CC[C@H](C)c2ccccc2)CCO1 ZINC000248825488 388693870 /nfs/dbraw/zinc/69/38/70/388693870.db2.gz GAOJWVRVBSBOME-HOCLYGCPSA-N 0 3 247.382 3.291 20 0 BGADHN C[C@@H]1CN(C[C@H]2CCC=CO2)[C@@H]1c1ccccc1 ZINC000248828283 135022804 /nfs/dbraw/zinc/02/28/04/135022804.db2.gz GTPGPAGVTZBNFS-BMFZPTHFSA-N 0 3 243.350 3.372 20 0 BGADHN C[C@@H]1CN(C[C@H]2CCC=CO2)[C@H]1c1ccccc1 ZINC000248828286 135022903 /nfs/dbraw/zinc/02/29/03/135022903.db2.gz GTPGPAGVTZBNFS-FVQBIDKESA-N 0 3 243.350 3.372 20 0 BGADHN C[C@@H]1CN(C[C@@H]2CCC=CO2)[C@H]1c1ccccc1 ZINC000248828290 135022450 /nfs/dbraw/zinc/02/24/50/135022450.db2.gz GTPGPAGVTZBNFS-VNQPRFMTSA-N 0 3 243.350 3.372 20 0 BGADHN CC[C@@]1(C)CN([C@H](C)c2ccccc2)CCO1 ZINC000248869713 388696891 /nfs/dbraw/zinc/69/68/91/388696891.db2.gz BKJRBWNBLHWVDO-HIFRSBDPSA-N 0 3 233.355 3.249 20 0 BGADHN CC[C@]1(C)CN([C@H](C)c2ccccc2)CCO1 ZINC000248869714 388696941 /nfs/dbraw/zinc/69/69/41/388696941.db2.gz BKJRBWNBLHWVDO-UKRRQHHQSA-N 0 3 233.355 3.249 20 0 BGADHN Cc1cncc(CN2CCC[C@H]3CCC[C@H]32)c1 ZINC000248877825 388697716 /nfs/dbraw/zinc/69/77/16/388697716.db2.gz CQMCMGOCEMEPGM-HUUCEWRRSA-N 0 3 230.355 3.155 20 0 BGADHN Cc1cncc(CN2CCC[C@@H]3CCC[C@H]32)c1 ZINC000248877830 388697869 /nfs/dbraw/zinc/69/78/69/388697869.db2.gz CQMCMGOCEMEPGM-LSDHHAIUSA-N 0 3 230.355 3.155 20 0 BGADHN CCN(Cc1cccs1)C[C@@H]1CC[C@@H](C)O1 ZINC000248885326 350866361 /nfs/dbraw/zinc/86/63/61/350866361.db2.gz HCBFBACZHMCZBD-NEPJUHHUSA-N 0 3 239.384 3.138 20 0 BGADHN CCN(Cc1cccs1)C[C@H]1CC[C@@H](C)O1 ZINC000248885329 350866229 /nfs/dbraw/zinc/86/62/29/350866229.db2.gz HCBFBACZHMCZBD-VXGBXAGGSA-N 0 3 239.384 3.138 20 0 BGADHN Cc1ccc(CN(C)C[C@@H]2CC[C@@H](C)O2)s1 ZINC000248886525 386804047 /nfs/dbraw/zinc/80/40/47/386804047.db2.gz HIWHEIZTTATRLA-PWSUYJOCSA-N 0 3 239.384 3.056 20 0 BGADHN Cc1ccc(CN(C)C[C@H]2CC[C@@H](C)O2)s1 ZINC000248886527 386802701 /nfs/dbraw/zinc/80/27/01/386802701.db2.gz HIWHEIZTTATRLA-ZYHUDNBSSA-N 0 3 239.384 3.056 20 0 BGADHN C[C@@H]1CN(C[C@H]2CC[C@@H](C)O2)[C@H]1c1ccccc1 ZINC000248904360 176225819 /nfs/dbraw/zinc/22/58/19/176225819.db2.gz LMSMDRLKJZMXLL-RRCSTGOVSA-N 0 3 245.366 3.247 20 0 BGADHN C[C@H]1CN(C[C@H]2CC[C@@H](C)O2)[C@@H]1c1ccccc1 ZINC000248904363 177258683 /nfs/dbraw/zinc/25/86/83/177258683.db2.gz LMSMDRLKJZMXLL-XNISGKROSA-N 0 3 245.366 3.247 20 0 BGADHN C[C@@H]1CN(C[C@H]2CC[C@@H](C)O2)[C@@H]1c1ccccc1 ZINC000248904365 176225454 /nfs/dbraw/zinc/22/54/54/176225454.db2.gz LMSMDRLKJZMXLL-XOUADPBQSA-N 0 3 245.366 3.247 20 0 BGADHN CCN(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000248905903 388698988 /nfs/dbraw/zinc/69/89/88/388698988.db2.gz ZGSDWOFWUMDPRE-MFKMUULPSA-N 0 3 219.328 3.387 20 0 BGADHN CCN(Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000248905906 388698870 /nfs/dbraw/zinc/69/88/70/388698870.db2.gz ZGSDWOFWUMDPRE-ZWNOBZJWSA-N 0 3 219.328 3.387 20 0 BGADHN Cc1ccc([C@H](C)N[C@H]2CCO[C@@H](C3CC3)C2)o1 ZINC000248911079 135026364 /nfs/dbraw/zinc/02/63/64/135026364.db2.gz VIVKAKRHDWFWDZ-CORIIIEPSA-N 0 3 249.354 3.196 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H]2CCO[C@@H](C3CC3)C2)o1 ZINC000248911082 135025828 /nfs/dbraw/zinc/02/58/28/135025828.db2.gz VIVKAKRHDWFWDZ-NJZAAPMLSA-N 0 3 249.354 3.196 20 0 BGADHN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NCc1ncccn1 ZINC000248916379 535205639 /nfs/dbraw/zinc/20/56/39/535205639.db2.gz ZWXQLIYJXFNJNR-MCIONIFRSA-N 0 3 247.386 3.027 20 0 BGADHN CCc1ccc([C@H](C)N[C@@H]2CC[C@@H](OC)C2)o1 ZINC000248944409 325628715 /nfs/dbraw/zinc/62/87/15/325628715.db2.gz CDAZGBKCHONDCR-DMDPSCGWSA-N 0 3 237.343 3.060 20 0 BGADHN CCc1ccc([C@H](C)N[C@H]2CC[C@@H](OC)C2)o1 ZINC000248944413 325628667 /nfs/dbraw/zinc/62/86/67/325628667.db2.gz CDAZGBKCHONDCR-GMXVVIOVSA-N 0 3 237.343 3.060 20 0 BGADHN C[C@H](c1ccccc1)N(C)C[C@@H]1CC[C@@H](C)O1 ZINC000248956018 176202188 /nfs/dbraw/zinc/20/21/88/176202188.db2.gz OPXRMJHPNXETAP-NFAWXSAZSA-N 0 3 233.355 3.247 20 0 BGADHN C[C@H](c1ccccc1)N(C)C[C@H]1CC[C@@H](C)O1 ZINC000248956022 176224374 /nfs/dbraw/zinc/22/43/74/176224374.db2.gz OPXRMJHPNXETAP-UMVBOHGHSA-N 0 3 233.355 3.247 20 0 BGADHN C[C@H](c1ccco1)N(C[C@@H]1CC[C@@H](C)O1)C1CC1 ZINC000248961046 176201746 /nfs/dbraw/zinc/20/17/46/176201746.db2.gz PPGLQYMUCBFKQS-BZPMIXESSA-N 0 3 249.354 3.373 20 0 BGADHN C[C@H](c1ccco1)N(C[C@H]1CC[C@@H](C)O1)C1CC1 ZINC000248961050 176223788 /nfs/dbraw/zinc/22/37/88/176223788.db2.gz PPGLQYMUCBFKQS-YRGRVCCFSA-N 0 3 249.354 3.373 20 0 BGADHN CC[C@H](c1ccncc1)N(C)C[C@H]1CC[C@@H](C)O1 ZINC000248975082 386809013 /nfs/dbraw/zinc/80/90/13/386809013.db2.gz TZBOQXOHRMYUKF-BPLDGKMQSA-N 0 3 248.370 3.032 20 0 BGADHN CC[C@H](c1ccncc1)N(C)C[C@H]1CC[C@H](C)O1 ZINC000248975084 386810096 /nfs/dbraw/zinc/81/00/96/386810096.db2.gz TZBOQXOHRMYUKF-NWANDNLSSA-N 0 3 248.370 3.032 20 0 BGADHN CC[C@H](c1ccncc1)N(C)C[C@@H]1CC[C@@H](C)O1 ZINC000248975087 386809914 /nfs/dbraw/zinc/80/99/14/386809914.db2.gz TZBOQXOHRMYUKF-VHDGCEQUSA-N 0 3 248.370 3.032 20 0 BGADHN C[C@H](c1cccs1)N(C)C[C@H]1CC[C@@H](C)O1 ZINC000248991124 176223997 /nfs/dbraw/zinc/22/39/97/176223997.db2.gz YGFNEEXHDLFMFK-IJLUTSLNSA-N 0 3 239.384 3.308 20 0 BGADHN C[C@H](c1cccs1)N(C)C[C@@H]1CC[C@@H](C)O1 ZINC000248991125 176202932 /nfs/dbraw/zinc/20/29/32/176202932.db2.gz YGFNEEXHDLFMFK-UTUOFQBUSA-N 0 3 239.384 3.308 20 0 BGADHN C[C@@H](c1ccco1)N(C[C@H]1CCC=CO1)C1CC1 ZINC000248993916 644706760 /nfs/dbraw/zinc/70/67/60/644706760.db2.gz OIZLQZJYUDZMBJ-GXTWGEPZSA-N 0 3 247.338 3.498 20 0 BGADHN C[C@H](c1ccco1)N(C[C@H]1CCC=CO1)C1CC1 ZINC000248993918 644705935 /nfs/dbraw/zinc/70/59/35/644705935.db2.gz OIZLQZJYUDZMBJ-TZMCWYRMSA-N 0 3 247.338 3.498 20 0 BGADHN CC[C@@H]1COCCN1CC[C@H](C)c1ccccc1 ZINC000249042408 388706028 /nfs/dbraw/zinc/70/60/28/388706028.db2.gz VEAPRDMTBJLTER-GOEBONIOSA-N 0 3 247.382 3.291 20 0 BGADHN CC[C@H]1COCCN1CC[C@H](C)c1ccccc1 ZINC000249042411 388706149 /nfs/dbraw/zinc/70/61/49/388706149.db2.gz VEAPRDMTBJLTER-HOCLYGCPSA-N 0 3 247.382 3.291 20 0 BGADHN CCC(=O)CCN1C[C@@H](C)[C@H]1c1ccccc1 ZINC000249047327 135031093 /nfs/dbraw/zinc/03/10/93/135031093.db2.gz NUXCTPQBYRXYKI-DOMZBBRYSA-N 0 3 231.339 3.049 20 0 BGADHN CCC(=O)CCN1C[C@H](C)[C@H]1c1ccccc1 ZINC000249047332 135031143 /nfs/dbraw/zinc/03/11/43/135031143.db2.gz NUXCTPQBYRXYKI-WFASDCNBSA-N 0 3 231.339 3.049 20 0 BGADHN C[C@H](CCN1C[C@@H](C)OC[C@@H]1C)c1ccccc1 ZINC000249052837 388705400 /nfs/dbraw/zinc/70/54/00/388705400.db2.gz XYWRTRVYSXHUHA-QLFBSQMISA-N 0 3 247.382 3.289 20 0 BGADHN C[C@@H](CCN1C[C@@H](C)OC[C@H]1C)c1ccccc1 ZINC000249052838 388705896 /nfs/dbraw/zinc/70/58/96/388705896.db2.gz XYWRTRVYSXHUHA-RRFJBIMHSA-N 0 3 247.382 3.289 20 0 BGADHN C[C@@H](CCN1C[C@@H](C)OC[C@@H]1C)c1ccccc1 ZINC000249052839 388706062 /nfs/dbraw/zinc/70/60/62/388706062.db2.gz XYWRTRVYSXHUHA-SOUVJXGZSA-N 0 3 247.382 3.289 20 0 BGADHN C[C@@H]1CC[C@@H](CN2CCc3ccccc3[C@H]2C)O1 ZINC000249069498 135031808 /nfs/dbraw/zinc/03/18/08/135031808.db2.gz KSOFLPLCXVUNOL-NFAWXSAZSA-N 0 3 245.366 3.173 20 0 BGADHN C[C@@H]1CC[C@H](CN2CCc3ccccc3[C@H]2C)O1 ZINC000249069502 135032028 /nfs/dbraw/zinc/03/20/28/135032028.db2.gz KSOFLPLCXVUNOL-UMVBOHGHSA-N 0 3 245.366 3.173 20 0 BGADHN CC[C@H](N[C@H]1CCCc2occc21)[C@H]1CCCO1 ZINC000249076131 535946168 /nfs/dbraw/zinc/94/61/68/535946168.db2.gz RXBOTIORCSFMHK-KCQAQPDRSA-N 0 3 249.354 3.204 20 0 BGADHN CC[C@H](N[C@H]1CCCc2occc21)[C@@H]1CCCO1 ZINC000249076132 535946027 /nfs/dbraw/zinc/94/60/27/535946027.db2.gz RXBOTIORCSFMHK-YDHLFZDLSA-N 0 3 249.354 3.204 20 0 BGADHN CCC(=O)CCN1CC[C@H](C)C[C@H]1c1ccco1 ZINC000249090390 135031626 /nfs/dbraw/zinc/03/16/26/135031626.db2.gz SPMDYRANJBUAFU-JSGCOSHPSA-N 0 3 249.354 3.422 20 0 BGADHN CCC(=O)CCN1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000249090393 135032126 /nfs/dbraw/zinc/03/21/26/135032126.db2.gz SPMDYRANJBUAFU-OCCSQVGLSA-N 0 3 249.354 3.422 20 0 BGADHN CCN(Cc1ccccc1)C[C@@H]1CC[C@@H](C)O1 ZINC000249154479 135035365 /nfs/dbraw/zinc/03/53/65/135035365.db2.gz YJKOOKKQCPBOOA-HIFRSBDPSA-N 0 3 233.355 3.076 20 0 BGADHN CCN(Cc1ccccc1)C[C@H]1CC[C@@H](C)O1 ZINC000249154482 135035202 /nfs/dbraw/zinc/03/52/02/135035202.db2.gz YJKOOKKQCPBOOA-UKRRQHHQSA-N 0 3 233.355 3.076 20 0 BGADHN C[C@@H]1CC[C@@H](CN2Cc3ccccc3C[C@H]2C)O1 ZINC000249160937 135036240 /nfs/dbraw/zinc/03/62/40/135036240.db2.gz ZTTWTFCBVBFMSK-IOASZLSFSA-N 0 3 245.366 3.001 20 0 BGADHN C[C@@H]1CC[C@H](CN2Cc3ccccc3C[C@H]2C)O1 ZINC000249160940 135036043 /nfs/dbraw/zinc/03/60/43/135036043.db2.gz ZTTWTFCBVBFMSK-XJKCOSOUSA-N 0 3 245.366 3.001 20 0 BGADHN CC[C@@H]1CCC[C@H](N[C@H](C)c2nccnc2C)C1 ZINC000249171822 135035878 /nfs/dbraw/zinc/03/58/78/135035878.db2.gz BYJSJSNKIYLZAN-MCIONIFRSA-N 0 3 247.386 3.404 20 0 BGADHN CC[C@@H]1CCC[C@@H](N[C@H](C)c2nccnc2C)C1 ZINC000249171823 135035712 /nfs/dbraw/zinc/03/57/12/135035712.db2.gz BYJSJSNKIYLZAN-MGPQQGTHSA-N 0 3 247.386 3.404 20 0 BGADHN COC[C@@H](C)CN([C@H](C)c1ccco1)C1CC1 ZINC000249178290 388711768 /nfs/dbraw/zinc/71/17/68/388711768.db2.gz GLROIVPOELVSCN-NWDGAFQWSA-N 0 3 237.343 3.088 20 0 BGADHN COC[C@H](C)CN([C@H](C)c1ccco1)C1CC1 ZINC000249178294 388711414 /nfs/dbraw/zinc/71/14/14/388711414.db2.gz GLROIVPOELVSCN-VXGBXAGGSA-N 0 3 237.343 3.088 20 0 BGADHN Cc1nccnc1[C@H](C)N[C@@H]1CC[C@@H](C)C[C@H]1C ZINC000249205578 135035760 /nfs/dbraw/zinc/03/57/60/135035760.db2.gz VTQGUDOBFRZLAN-MHDGFBEUSA-N 0 3 247.386 3.260 20 0 BGADHN Cc1nccnc1[C@H](C)N[C@@H]1CC[C@H](C)C[C@H]1C ZINC000249205580 135036274 /nfs/dbraw/zinc/03/62/74/135036274.db2.gz VTQGUDOBFRZLAN-UZGDPCLZSA-N 0 3 247.386 3.260 20 0 BGADHN Cc1nccnc1[C@H](C)N[C@@H]1CCCC[C@H]1C ZINC000249205623 135035674 /nfs/dbraw/zinc/03/56/74/135035674.db2.gz VXCIJUHNSAWWTR-KGYLQXTDSA-N 0 3 233.359 3.014 20 0 BGADHN Cc1nccnc1[C@H](C)N[C@H]1CCCC[C@H]1C ZINC000249205624 135035703 /nfs/dbraw/zinc/03/57/03/135035703.db2.gz VXCIJUHNSAWWTR-WXHSDQCUSA-N 0 3 233.359 3.014 20 0 BGADHN Cc1nccnc1[C@H](C)NC[C@H]1CCCC[C@H]1C ZINC000249206527 388713498 /nfs/dbraw/zinc/71/34/98/388713498.db2.gz WFYOZTGBJYPDQX-KWCYVHTRSA-N 0 3 247.386 3.262 20 0 BGADHN Cc1nccnc1[C@H](C)NC[C@@H]1CCCC[C@H]1C ZINC000249206529 325640870 /nfs/dbraw/zinc/64/08/70/325640870.db2.gz WFYOZTGBJYPDQX-XBFCOCLRSA-N 0 3 247.386 3.262 20 0 BGADHN Cc1nccnc1[C@H](C)N[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000249215527 135035927 /nfs/dbraw/zinc/03/59/27/135035927.db2.gz ZTIZQVQJJXSDIS-UZGDPCLZSA-N 0 3 247.386 3.260 20 0 BGADHN Cc1nccnc1[C@@H](C)N[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000249215528 135036003 /nfs/dbraw/zinc/03/60/03/135036003.db2.gz ZTIZQVQJJXSDIS-WVWOOGAGSA-N 0 3 247.386 3.260 20 0 BGADHN COc1cccc(CN2CC[C@@H](C)[C@@H]2C)c1F ZINC000249270964 487634806 /nfs/dbraw/zinc/63/48/06/487634806.db2.gz JMMOFAHMKMWNMW-MNOVXSKESA-N 0 3 237.318 3.065 20 0 BGADHN COc1cccc(CN2CC[C@H](C)[C@@H]2C)c1F ZINC000249270966 487634787 /nfs/dbraw/zinc/63/47/87/487634787.db2.gz JMMOFAHMKMWNMW-QWRGUYRKSA-N 0 3 237.318 3.065 20 0 BGADHN CC[C@H](C)N1CCO[C@@H](CCc2ccccc2)C1 ZINC000249271371 388713985 /nfs/dbraw/zinc/71/39/85/388713985.db2.gz KOIDKZXTNDPLHX-HOCLYGCPSA-N 0 3 247.382 3.119 20 0 BGADHN CC[C@@H](C)N1CCO[C@@H](CCc2ccccc2)C1 ZINC000249271372 388713967 /nfs/dbraw/zinc/71/39/67/388713967.db2.gz KOIDKZXTNDPLHX-ZBFHGGJFSA-N 0 3 247.382 3.119 20 0 BGADHN Cc1cnc(CN(C)[C@H]2CCCC[C@H]2C)s1 ZINC000249375563 323138954 /nfs/dbraw/zinc/13/89/54/323138954.db2.gz OCLUZAKJDCYXIN-PWSUYJOCSA-N 0 3 238.400 3.462 20 0 BGADHN Cc1cnc(CN(C)[C@@H]2CCCC[C@H]2C)s1 ZINC000249375567 388718420 /nfs/dbraw/zinc/71/84/20/388718420.db2.gz OCLUZAKJDCYXIN-ZYHUDNBSSA-N 0 3 238.400 3.462 20 0 BGADHN CCN(Cc1ncc(C)o1)[C@@H]1CCCC[C@H]1C ZINC000249399504 388720925 /nfs/dbraw/zinc/72/09/25/388720925.db2.gz SGXSAQANFDJRRX-DGCLKSJQSA-N 0 3 236.359 3.384 20 0 BGADHN CCN(Cc1ncc(C)o1)[C@H]1CCCC[C@H]1C ZINC000249399508 388720313 /nfs/dbraw/zinc/72/03/13/388720313.db2.gz SGXSAQANFDJRRX-YPMHNXCESA-N 0 3 236.359 3.384 20 0 BGADHN Cc1oncc1CN1CCC[C@@H]2CCCC[C@H]21 ZINC000249411891 487654930 /nfs/dbraw/zinc/65/49/30/487654930.db2.gz YCESJOUMJIEKNT-GXTWGEPZSA-N 0 3 234.343 3.138 20 0 BGADHN Cc1oncc1CN1CCC[C@H]2CCCC[C@H]21 ZINC000249411893 487880221 /nfs/dbraw/zinc/88/02/21/487880221.db2.gz YCESJOUMJIEKNT-TZMCWYRMSA-N 0 3 234.343 3.138 20 0 BGADHN CCN(Cc1ccon1)[C@@H]1CCCC[C@H]1C ZINC000249415648 135039170 /nfs/dbraw/zinc/03/91/70/135039170.db2.gz WCFFPOCCXSPFEW-DGCLKSJQSA-N 0 3 222.332 3.075 20 0 BGADHN CCN(Cc1ccon1)[C@H]1CCCC[C@H]1C ZINC000249415649 135039270 /nfs/dbraw/zinc/03/92/70/135039270.db2.gz WCFFPOCCXSPFEW-YPMHNXCESA-N 0 3 222.332 3.075 20 0 BGADHN CCN(Cc1cc(C)on1)[C@@H]1CCCC[C@H]1C ZINC000249416850 388721127 /nfs/dbraw/zinc/72/11/27/388721127.db2.gz WJWCYBTXTIRUPY-BXUZGUMPSA-N 0 3 236.359 3.384 20 0 BGADHN CCN(Cc1cc(C)on1)[C@H]1CCCC[C@H]1C ZINC000249416852 388720804 /nfs/dbraw/zinc/72/08/04/388720804.db2.gz WJWCYBTXTIRUPY-RISCZKNCSA-N 0 3 236.359 3.384 20 0 BGADHN CCc1nc(CN2CC[C@H](C)[C@H]2CC)cs1 ZINC000249454136 135039060 /nfs/dbraw/zinc/03/90/60/135039060.db2.gz PBVLQOMMQHUTPV-CMPLNLGQSA-N 0 3 238.400 3.326 20 0 BGADHN CCc1nc(CN2CC[C@@H](C)[C@H]2CC)cs1 ZINC000249454139 135038591 /nfs/dbraw/zinc/03/85/91/135038591.db2.gz PBVLQOMMQHUTPV-ZYHUDNBSSA-N 0 3 238.400 3.326 20 0 BGADHN C[C@@H](c1ccco1)N(CC[C@H]1CCCO1)C1CC1 ZINC000249489738 388724600 /nfs/dbraw/zinc/72/46/00/388724600.db2.gz VBQRNANXEMSGAK-GXTWGEPZSA-N 0 3 249.354 3.374 20 0 BGADHN C[C@H](c1ccco1)N(CC[C@H]1CCCO1)C1CC1 ZINC000249489743 388723837 /nfs/dbraw/zinc/72/38/37/388723837.db2.gz VBQRNANXEMSGAK-TZMCWYRMSA-N 0 3 249.354 3.374 20 0 BGADHN CC[C@@H]1CN([C@H](C)CCc2ccccc2)CCO1 ZINC000249684533 362249931 /nfs/dbraw/zinc/24/99/31/362249931.db2.gz DRRPJRNQWCUMBM-GDBMZVCRSA-N 0 3 247.382 3.119 20 0 BGADHN CC[C@H]1CN([C@H](C)CCc2ccccc2)CCO1 ZINC000249684536 362249882 /nfs/dbraw/zinc/24/98/82/362249882.db2.gz DRRPJRNQWCUMBM-ZBFHGGJFSA-N 0 3 247.382 3.119 20 0 BGADHN Cc1ccccc1[C@H](C)N(C)C[C@H]1CCCO1 ZINC000249692163 135043743 /nfs/dbraw/zinc/04/37/43/135043743.db2.gz VHMDFYYDHWGZPH-UONOGXRCSA-N 0 3 233.355 3.167 20 0 BGADHN Cc1ccccc1[C@@H](C)N(C)C[C@H]1CCCO1 ZINC000249692164 135043602 /nfs/dbraw/zinc/04/36/02/135043602.db2.gz VHMDFYYDHWGZPH-ZIAGYGMSSA-N 0 3 233.355 3.167 20 0 BGADHN CC[C@H]1CN([C@H]2CCCc3ccccc32)CCO1 ZINC000249734147 536159766 /nfs/dbraw/zinc/15/97/66/536159766.db2.gz COURIDZOTYHQCJ-HOCLYGCPSA-N 0 3 245.366 3.175 20 0 BGADHN CC[C@@H]1CN([C@H]2CCCc3ccccc32)CCO1 ZINC000249734150 135044322 /nfs/dbraw/zinc/04/43/22/135044322.db2.gz COURIDZOTYHQCJ-ZBFHGGJFSA-N 0 3 245.366 3.175 20 0 BGADHN CC[C@H](N[C@@H]1C[C@H]1C)c1ccccc1OC ZINC000249805213 135045620 /nfs/dbraw/zinc/04/56/20/135045620.db2.gz BCQOUODDZUYNHO-KGYLQXTDSA-N 0 3 219.328 3.144 20 0 BGADHN CC[C@H](N[C@H]1C[C@H]1C)c1ccccc1OC ZINC000249805222 135045073 /nfs/dbraw/zinc/04/50/73/135045073.db2.gz BCQOUODDZUYNHO-WXHSDQCUSA-N 0 3 219.328 3.144 20 0 BGADHN C[C@H](N[C@@H]1C[C@@H]2OCCC[C@H]12)c1ccccc1F ZINC000250115489 135049346 /nfs/dbraw/zinc/04/93/46/135049346.db2.gz UHOQEVKHQBPWMM-BTQDYEIMSA-N 0 3 249.329 3.044 20 0 BGADHN C[C@H](N[C@@H]1C[C@@H]2OCCC[C@@H]12)c1ccccc1F ZINC000250115493 135049408 /nfs/dbraw/zinc/04/94/08/135049408.db2.gz UHOQEVKHQBPWMM-FATJJJSSSA-N 0 3 249.329 3.044 20 0 BGADHN C[C@H](N[C@@H]1C[C@H]2OCCC[C@@H]12)c1ccccc1F ZINC000250115494 135049446 /nfs/dbraw/zinc/04/94/46/135049446.db2.gz UHOQEVKHQBPWMM-OBCWZRDOSA-N 0 3 249.329 3.044 20 0 BGADHN c1cc(CN2CCC[C@@H]3CCCC[C@H]32)ccn1 ZINC000250188518 183341246 /nfs/dbraw/zinc/34/12/46/183341246.db2.gz URYCFIKRMWRFRS-LSDHHAIUSA-N 0 3 230.355 3.236 20 0 BGADHN c1cc(CN[C@@H]2CC[C@H]3CCCC[C@H]3C2)no1 ZINC000250189473 537910904 /nfs/dbraw/zinc/91/09/04/537910904.db2.gz UXACXRYEWTYACV-FRRDWIJNSA-N 0 3 234.343 3.123 20 0 BGADHN c1cc(CN[C@@H]2CC[C@@H]3CCCC[C@H]3C2)no1 ZINC000250189475 537911176 /nfs/dbraw/zinc/91/11/76/537911176.db2.gz UXACXRYEWTYACV-RWMBFGLXSA-N 0 3 234.343 3.123 20 0 BGADHN Cc1ncc(CN(C)[C@H]2CCC[C@@H](C)C2)s1 ZINC000250670462 388739943 /nfs/dbraw/zinc/73/99/43/388739943.db2.gz WWANUFOBWQDOBN-PWSUYJOCSA-N 0 3 238.400 3.462 20 0 BGADHN Cc1ncc(CN(C)[C@@H]2CCC[C@@H](C)C2)s1 ZINC000250670463 388739289 /nfs/dbraw/zinc/73/92/89/388739289.db2.gz WWANUFOBWQDOBN-ZYHUDNBSSA-N 0 3 238.400 3.462 20 0 BGADHN Cc1nc(CN(C)[C@H]2CCCC[C@H]2C)oc1C ZINC000250672347 388739305 /nfs/dbraw/zinc/73/93/05/388739305.db2.gz YGONIWSLVCHPHD-MFKMUULPSA-N 0 3 236.359 3.302 20 0 BGADHN Cc1nc(CN(C)[C@@H]2CCCC[C@H]2C)oc1C ZINC000250672351 388739824 /nfs/dbraw/zinc/73/98/24/388739824.db2.gz YGONIWSLVCHPHD-ZWNOBZJWSA-N 0 3 236.359 3.302 20 0 BGADHN Cc1csc([C@H](C)N[C@@H]2CCC[C@H]2C)n1 ZINC000250875674 135060774 /nfs/dbraw/zinc/06/07/74/135060774.db2.gz PFQDPMZMVZCCHP-DVVUODLYSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1csc([C@H](C)N[C@H]2CCC[C@H]2C)n1 ZINC000250875676 135060732 /nfs/dbraw/zinc/06/07/32/135060732.db2.gz PFQDPMZMVZCCHP-MIMYLULJSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1csc(CN[C@@H]2CC[C@@H](C)C[C@H]2C)n1 ZINC000250891778 135060680 /nfs/dbraw/zinc/06/06/80/135060680.db2.gz DIYQHVWBIBGYSJ-CKYFFXLPSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1csc(CN[C@@H]2CC[C@H](C)C[C@H]2C)n1 ZINC000250891780 135060758 /nfs/dbraw/zinc/06/07/58/135060758.db2.gz DIYQHVWBIBGYSJ-HOSYDEDBSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1nc(CN[C@@H]2CC[C@@H](C)C[C@H]2C)cs1 ZINC000250895616 135060377 /nfs/dbraw/zinc/06/03/77/135060377.db2.gz IRMSNKYPNHTKFY-GIPNMCIBSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1nc(CN[C@@H]2CC[C@H](C)C[C@H]2C)cs1 ZINC000250895618 135060529 /nfs/dbraw/zinc/06/05/29/135060529.db2.gz IRMSNKYPNHTKFY-OPQQBVKSSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1nc(CN[C@H]2[C@H](C)CCC[C@@H]2C)cs1 ZINC000250901763 135092604 /nfs/dbraw/zinc/09/26/04/135092604.db2.gz NWDDDSZZEGHXKM-IWIIMEHWSA-N 0 3 238.400 3.366 20 0 BGADHN C[C@H](N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)c1ccco1 ZINC000250910219 135060611 /nfs/dbraw/zinc/06/06/11/135060611.db2.gz ULDMSQHPLHFFDR-CDGCEXEKSA-N 0 3 249.354 3.134 20 0 BGADHN C[C@H](N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C)c1ccco1 ZINC000250910226 135060592 /nfs/dbraw/zinc/06/05/92/135060592.db2.gz ULDMSQHPLHFFDR-OIMNJJJWSA-N 0 3 249.354 3.134 20 0 BGADHN Cc1nc([C@H](C)N[C@@H]2CCC[C@H]2C)cs1 ZINC000250942609 180052120 /nfs/dbraw/zinc/05/21/20/180052120.db2.gz WZJRJYLZJUWINB-WCABBAIRSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1nc([C@H](C)N[C@H]2CCC[C@H]2C)cs1 ZINC000250942611 180050299 /nfs/dbraw/zinc/05/02/99/180050299.db2.gz WZJRJYLZJUWINB-YWVKMMECSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1nc(CN[C@H]2C[C@H](C)C[C@H](C)C2)cs1 ZINC000250944169 135061383 /nfs/dbraw/zinc/06/13/83/135061383.db2.gz YXRWUZZSHMEOBW-IAZYJMLFSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1cc(CN[C@@H]2CC[C@H]3CCCC[C@H]3C2)no1 ZINC000250964917 135061199 /nfs/dbraw/zinc/06/11/99/135061199.db2.gz OIPUNRNUGOKGES-HZSPNIEDSA-N 0 3 248.370 3.432 20 0 BGADHN Cc1cc(CN[C@@H]2CC[C@@H]3CCCC[C@H]3C2)no1 ZINC000250964919 135061254 /nfs/dbraw/zinc/06/12/54/135061254.db2.gz OIPUNRNUGOKGES-MELADBBJSA-N 0 3 248.370 3.432 20 0 BGADHN Cc1cc(CN[C@@H]2CC[C@H]3CCCC[C@H]3C2)on1 ZINC000250972127 362828755 /nfs/dbraw/zinc/82/87/55/362828755.db2.gz XKPFEPIOGDGVSK-HZSPNIEDSA-N 0 3 248.370 3.432 20 0 BGADHN Cc1cc(CN[C@@H]2CC[C@@H]3CCCC[C@H]3C2)on1 ZINC000250972128 362829038 /nfs/dbraw/zinc/82/90/38/362829038.db2.gz XKPFEPIOGDGVSK-MELADBBJSA-N 0 3 248.370 3.432 20 0 BGADHN Cc1noc(C)c1CN[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000250996287 135061422 /nfs/dbraw/zinc/06/14/22/135061422.db2.gz VFEFFXBDIVWJTH-IWIIMEHWSA-N 0 3 236.359 3.206 20 0 BGADHN CC[C@H](O)CN(C)[C@H](C)c1cccc(Cl)c1 ZINC000251064303 385614045 /nfs/dbraw/zinc/61/40/45/385614045.db2.gz ILGXEEROHQLBCU-MFKMUULPSA-N 0 3 241.762 3.104 20 0 BGADHN CC[C@@H](O)CN(C)[C@H](C)c1cccc(Cl)c1 ZINC000251064305 350889934 /nfs/dbraw/zinc/88/99/34/350889934.db2.gz ILGXEEROHQLBCU-ZWNOBZJWSA-N 0 3 241.762 3.104 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2CS[C@H](C)C2)c(C)o1 ZINC000251064811 135061812 /nfs/dbraw/zinc/06/18/12/135061812.db2.gz FYGPGCPQAPINJS-JFGNBEQYSA-N 0 3 239.384 3.441 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CS[C@H](C)C2)c(C)o1 ZINC000251064813 135062177 /nfs/dbraw/zinc/06/21/77/135062177.db2.gz FYGPGCPQAPINJS-SCVCMEIPSA-N 0 3 239.384 3.441 20 0 BGADHN Cc1cc([C@H](C)N[C@@H](C)[C@H]2CCCO2)c(C)o1 ZINC000251081735 178254005 /nfs/dbraw/zinc/25/40/05/178254005.db2.gz PJDZAGWLECFAEK-COPLHBTASA-N 0 3 237.343 3.115 20 0 BGADHN Cc1cc([C@H](C)N[C@H](C)[C@H]2CCCO2)c(C)o1 ZINC000251081737 178258499 /nfs/dbraw/zinc/25/84/99/178258499.db2.gz PJDZAGWLECFAEK-MISXGVKJSA-N 0 3 237.343 3.115 20 0 BGADHN CO[C@@H]1CCC[C@H]1N[C@H](C)c1cc(C)oc1C ZINC000251087222 384909304 /nfs/dbraw/zinc/90/93/04/384909304.db2.gz UOHKHJAMLBTMKE-LERXQTSPSA-N 0 3 237.343 3.115 20 0 BGADHN CC[C@H](N[C@H]1CS[C@H](C)C1)c1nccs1 ZINC000251202205 388255017 /nfs/dbraw/zinc/25/50/17/388255017.db2.gz GMJVBMNFZQNJDR-BBBLOLIVSA-N 0 3 242.413 3.078 20 0 BGADHN CC[C@H](N[C@@H]1CS[C@H](C)C1)c1nccs1 ZINC000251202210 388255139 /nfs/dbraw/zinc/25/51/39/388255139.db2.gz GMJVBMNFZQNJDR-UTLUCORTSA-N 0 3 242.413 3.078 20 0 BGADHN Cc1ccc([C@H](C)N[C@H]2CS[C@H](C)C2)o1 ZINC000251207745 135065878 /nfs/dbraw/zinc/06/58/78/135065878.db2.gz BAIBZHWYUXVVAL-OUAUKWLOSA-N 0 3 225.357 3.133 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H]2CS[C@H](C)C2)o1 ZINC000251207750 135066235 /nfs/dbraw/zinc/06/62/35/135066235.db2.gz BAIBZHWYUXVVAL-VWYCJHECSA-N 0 3 225.357 3.133 20 0 BGADHN CO[C@@H]1CCC[C@H]1N[C@H](C)c1ccc(F)cc1 ZINC000251228509 343124892 /nfs/dbraw/zinc/12/48/92/343124892.db2.gz AKLXXRZWOUBBDZ-LERXQTSPSA-N 0 3 237.318 3.044 20 0 BGADHN CO[C@@H]1CCC[C@H](N[C@H](C)c2ccc(C)o2)C1 ZINC000251245482 538038671 /nfs/dbraw/zinc/03/86/71/538038671.db2.gz RKHSXFUHWCTGAH-FRRDWIJNSA-N 0 3 237.343 3.196 20 0 BGADHN CO[C@@H]1CCC[C@@H](N[C@H](C)c2ccc(C)o2)C1 ZINC000251245483 538038152 /nfs/dbraw/zinc/03/81/52/538038152.db2.gz RKHSXFUHWCTGAH-JHJVBQTASA-N 0 3 237.343 3.196 20 0 BGADHN CO[C@@H]1CCCC[C@@H]1N[C@H](C)c1ccsc1 ZINC000251289916 385621121 /nfs/dbraw/zinc/62/11/21/385621121.db2.gz VBFORZAWIHRCCC-KGYLQXTDSA-N 0 3 239.384 3.356 20 0 BGADHN CO[C@@H]1CCCC[C@H]1N[C@H](C)c1ccsc1 ZINC000251289918 385620961 /nfs/dbraw/zinc/62/09/61/385620961.db2.gz VBFORZAWIHRCCC-RAIGVLPGSA-N 0 3 239.384 3.356 20 0 BGADHN CC[C@H](N[C@@H]1CCC[C@H]1C)c1nccs1 ZINC000251323855 535934826 /nfs/dbraw/zinc/93/48/26/535934826.db2.gz XDTWNXGDXPVTSE-OUAUKWLOSA-N 0 3 224.373 3.372 20 0 BGADHN CC[C@H](N[C@H]1CCC[C@H]1C)c1nccs1 ZINC000251323860 535945607 /nfs/dbraw/zinc/94/56/07/535945607.db2.gz XDTWNXGDXPVTSE-VWYCJHECSA-N 0 3 224.373 3.372 20 0 BGADHN CC[C@H](C)NCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000251396548 171343399 /nfs/dbraw/zinc/34/33/99/171343399.db2.gz YCPLIJAOQLZMCS-JFGNBEQYSA-N 0 3 207.317 3.291 20 0 BGADHN CC[C@H](C)NCc1ccc([C@H]2C[C@H]2C)o1 ZINC000251396551 171342610 /nfs/dbraw/zinc/34/26/10/171342610.db2.gz YCPLIJAOQLZMCS-SCVCMEIPSA-N 0 3 207.317 3.291 20 0 BGADHN CC[C@@H]1C[C@@H](N[C@H](C)c2ccc(C)o2)CCO1 ZINC000251458896 135069725 /nfs/dbraw/zinc/06/97/25/135069725.db2.gz AORNFXZYUIKQCN-FRRDWIJNSA-N 0 3 237.343 3.196 20 0 BGADHN CC[C@@H]1C[C@H](N[C@H](C)c2ccc(C)o2)CCO1 ZINC000251458900 535902121 /nfs/dbraw/zinc/90/21/21/535902121.db2.gz AORNFXZYUIKQCN-JHJVBQTASA-N 0 3 237.343 3.196 20 0 BGADHN CO[C@@H]1CCC[C@H]1N[C@H](C)c1cccc(F)c1 ZINC000251546764 322871562 /nfs/dbraw/zinc/87/15/62/322871562.db2.gz PQPRTYCXRQFGCC-LERXQTSPSA-N 0 3 237.318 3.044 20 0 BGADHN CC(C)c1ccc(CN2CC[C@@H](O)[C@H](C)C2)cc1 ZINC000251553101 135071732 /nfs/dbraw/zinc/07/17/32/135071732.db2.gz HUOYTYBTPRBTAN-CZUORRHYSA-N 0 3 247.382 3.013 20 0 BGADHN CO[C@@H]1CCC[C@H]1N[C@H](C)c1ccccc1F ZINC000251576882 322871465 /nfs/dbraw/zinc/87/14/65/322871465.db2.gz VLUDPTGHJRVAAG-LERXQTSPSA-N 0 3 237.318 3.044 20 0 BGADHN C[C@@H]1CC[C@@H](NCc2cscn2)C[C@H]1C ZINC000251662220 135073817 /nfs/dbraw/zinc/07/38/17/135073817.db2.gz GBWGJPNLQIYAKN-GMTAPVOTSA-N 0 3 224.373 3.057 20 0 BGADHN C[C@@H]1CC[C@H](NCc2cscn2)C[C@H]1C ZINC000251662222 135073605 /nfs/dbraw/zinc/07/36/05/135073605.db2.gz GBWGJPNLQIYAKN-MXWKQRLJSA-N 0 3 224.373 3.057 20 0 BGADHN C[C@@H](NCc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000251677095 385630991 /nfs/dbraw/zinc/63/09/91/385630991.db2.gz AHUFOPICRCOIHP-BREBYQMCSA-N 0 3 219.328 3.291 20 0 BGADHN C[C@@H](NCc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000251677097 385631207 /nfs/dbraw/zinc/63/12/07/385631207.db2.gz AHUFOPICRCOIHP-GIPNMCIBSA-N 0 3 219.328 3.291 20 0 BGADHN CO[C@@H]1CCC[C@@H]1NCc1ccc([C@H]2C[C@H]2C)o1 ZINC000251698382 644816432 /nfs/dbraw/zinc/81/64/32/644816432.db2.gz BDHWOPJAYZUTND-GVUJHPQVSA-N 0 3 249.354 3.060 20 0 BGADHN CO[C@@H]1CCC[C@@H]1NCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000251698385 644816412 /nfs/dbraw/zinc/81/64/12/644816412.db2.gz BDHWOPJAYZUTND-GZCFXPHUSA-N 0 3 249.354 3.060 20 0 BGADHN CO[C@@H]1CCC[C@@H]1NCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000251698388 644816440 /nfs/dbraw/zinc/81/64/40/644816440.db2.gz BDHWOPJAYZUTND-IKVITTDRSA-N 0 3 249.354 3.060 20 0 BGADHN COc1ncccc1CN[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000251701777 135074409 /nfs/dbraw/zinc/07/44/09/135074409.db2.gz HRVRXVXUAKUREP-OUCADQQQSA-N 0 3 248.370 3.005 20 0 BGADHN COc1ncccc1CN[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000251701779 135074391 /nfs/dbraw/zinc/07/43/91/135074391.db2.gz HRVRXVXUAKUREP-YRGRVCCFSA-N 0 3 248.370 3.005 20 0 BGADHN CC(C)n1ccc(CN[C@H]2C[C@H](C)C[C@H](C)C2)n1 ZINC000251703432 349183652 /nfs/dbraw/zinc/18/36/52/349183652.db2.gz BIFFJQNQEQLWSM-NHAGDIPZSA-N 0 3 249.402 3.378 20 0 BGADHN COc1ncccc1CN[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000251705812 135074357 /nfs/dbraw/zinc/07/43/57/135074357.db2.gz BKNVIAKKBUHEDG-IMRBUKKESA-N 0 3 248.370 3.005 20 0 BGADHN C[C@@H](NCc1ccc([C@H]2C[C@H]2C)o1)[C@H]1CCCO1 ZINC000251711179 644818974 /nfs/dbraw/zinc/81/89/74/644818974.db2.gz BQVJXNSNUXTGBP-MHDGFBEUSA-N 0 3 249.354 3.060 20 0 BGADHN C[C@@H](NCc1ccc([C@H]2C[C@H]2C)o1)[C@@H]1CCCO1 ZINC000251711180 644818805 /nfs/dbraw/zinc/81/88/05/644818805.db2.gz BQVJXNSNUXTGBP-RFHZTLPTSA-N 0 3 249.354 3.060 20 0 BGADHN C[C@H](NCc1ccc([C@H]2C[C@H]2C)o1)[C@H]1CCCO1 ZINC000251711181 644817958 /nfs/dbraw/zinc/81/79/58/644817958.db2.gz BQVJXNSNUXTGBP-UVLXDEKHSA-N 0 3 249.354 3.060 20 0 BGADHN CC[C@@H]1CCCC[C@H]1N[C@H](C)c1nccn1C ZINC000251750100 535819397 /nfs/dbraw/zinc/81/93/97/535819397.db2.gz LICCVFUOSLQRFH-JHJVBQTASA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1N[C@H](C)c1nccn1C ZINC000251750103 135076956 /nfs/dbraw/zinc/07/69/56/135076956.db2.gz LICCVFUOSLQRFH-UPJWGTAASA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@H](C)[C@H](C)N[C@H](C)c1ccc(F)cn1 ZINC000251753263 171390198 /nfs/dbraw/zinc/39/01/98/171390198.db2.gz HCKBYXVHWTZSRC-GARJFASQSA-N 0 3 224.323 3.306 20 0 BGADHN CC[C@H](C)[C@@H](C)N[C@H](C)c1ccc(F)cn1 ZINC000251753266 171366816 /nfs/dbraw/zinc/36/68/16/171366816.db2.gz HCKBYXVHWTZSRC-HBNTYKKESA-N 0 3 224.323 3.306 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CN[C@H]2CC2(C)C)o1 ZINC000251780259 135077902 /nfs/dbraw/zinc/07/79/02/135077902.db2.gz FMJNYJUOEPSWNI-CDMKHQONSA-N 0 3 219.328 3.291 20 0 BGADHN C[C@@H]1C[C@H]1c1ccc(CN[C@H]2CC2(C)C)o1 ZINC000251780260 135077357 /nfs/dbraw/zinc/07/73/57/135077357.db2.gz FMJNYJUOEPSWNI-XWIASGKRSA-N 0 3 219.328 3.291 20 0 BGADHN CCc1ccc([C@H](C)N[C@@H]2C[C@@H]3OCCC[C@@H]23)o1 ZINC000251782703 135077915 /nfs/dbraw/zinc/07/79/15/135077915.db2.gz LMHHRVHGWSJEPM-DNVSUFBTSA-N 0 3 249.354 3.060 20 0 BGADHN CCc1ccc([C@H](C)N[C@@H]2C[C@H]3OCCC[C@@H]23)o1 ZINC000251782704 135077824 /nfs/dbraw/zinc/07/78/24/135077824.db2.gz LMHHRVHGWSJEPM-MUYACECFSA-N 0 3 249.354 3.060 20 0 BGADHN CCc1ccc([C@H](C)N[C@@H]2C[C@@H]3OCCC[C@H]23)o1 ZINC000251782706 135077812 /nfs/dbraw/zinc/07/78/12/135077812.db2.gz LMHHRVHGWSJEPM-ZGFBFQLVSA-N 0 3 249.354 3.060 20 0 BGADHN C[C@@H]1CC[C@@H](NCc2nccs2)C[C@H]1C ZINC000251866071 176213363 /nfs/dbraw/zinc/21/33/63/176213363.db2.gz QEYKRQFBJDQWSJ-GMTAPVOTSA-N 0 3 224.373 3.057 20 0 BGADHN C[C@@H]1CC[C@H](NCc2nccs2)C[C@H]1C ZINC000251866072 176233862 /nfs/dbraw/zinc/23/38/62/176233862.db2.gz QEYKRQFBJDQWSJ-MXWKQRLJSA-N 0 3 224.373 3.057 20 0 BGADHN CC[C@@H]1CCCC[C@H]1N[C@H](C)c1cnccn1 ZINC000251871092 359309206 /nfs/dbraw/zinc/30/92/06/359309206.db2.gz UJYHAOZAFCBWAY-JHJVBQTASA-N 0 3 233.359 3.096 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1N[C@H](C)c1cnccn1 ZINC000251871093 359309443 /nfs/dbraw/zinc/30/94/43/359309443.db2.gz UJYHAOZAFCBWAY-UPJWGTAASA-N 0 3 233.359 3.096 20 0 BGADHN CC(C)n1ccc(CN[C@H]2CC[C@@H](C)[C@H](C)C2)n1 ZINC000251888520 349192574 /nfs/dbraw/zinc/19/25/74/349192574.db2.gz RQBZFLSWNQQVQO-MCIONIFRSA-N 0 3 249.402 3.378 20 0 BGADHN CC(C)n1ccc(CN[C@@H]2CC[C@@H](C)[C@H](C)C2)n1 ZINC000251888522 349192603 /nfs/dbraw/zinc/19/26/03/349192603.db2.gz RQBZFLSWNQQVQO-MGPQQGTHSA-N 0 3 249.402 3.378 20 0 BGADHN CC(C)CN1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C ZINC000251897638 635707344 /nfs/dbraw/zinc/70/73/44/635707344.db2.gz WDLNORMZOZBYHM-FMKPAKJESA-N 0 3 247.382 3.493 20 0 BGADHN CC(C)CN1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C ZINC000251897640 635706908 /nfs/dbraw/zinc/70/69/08/635706908.db2.gz WDLNORMZOZBYHM-IIAWOOMASA-N 0 3 247.382 3.493 20 0 BGADHN CO[C@@H]1CN(C/C=C/c2ccccc2)CC[C@@H]1C ZINC000251936514 388758015 /nfs/dbraw/zinc/75/80/15/388758015.db2.gz UHTDXCXPQLQBPF-BILQUBDUSA-N 0 3 245.366 3.057 20 0 BGADHN CO[C@@H]1CN(C/C=C/c2ccccc2)CC[C@H]1C ZINC000251936518 388757778 /nfs/dbraw/zinc/75/77/78/388757778.db2.gz UHTDXCXPQLQBPF-FPTQRPOBSA-N 0 3 245.366 3.057 20 0 BGADHN C[C@H]1CC[C@H](N[C@@H](c2nccn2C)C2CC2)CC1 ZINC000252004516 388759600 /nfs/dbraw/zinc/75/96/00/388759600.db2.gz ZIGBTXBIIPEXLS-MRVWCRGKSA-N 0 3 247.386 3.040 20 0 BGADHN C[C@H]1CC[C@H](N[C@H](c2nccn2C)C2CC2)CC1 ZINC000252004517 325684437 /nfs/dbraw/zinc/68/44/37/325684437.db2.gz ZIGBTXBIIPEXLS-UBHSHLNASA-N 0 3 247.386 3.040 20 0 BGADHN CC[C@H](C)CN(CC)[C@H](C)C(=O)OC(C)(C)C ZINC000252022390 388759913 /nfs/dbraw/zinc/75/99/13/388759913.db2.gz XPRFJFBBMNFHFD-NWDGAFQWSA-N 0 3 243.391 3.085 20 0 BGADHN CC[C@@H](C)CN(CC)[C@H](C)C(=O)OC(C)(C)C ZINC000252022391 388759568 /nfs/dbraw/zinc/75/95/68/388759568.db2.gz XPRFJFBBMNFHFD-VXGBXAGGSA-N 0 3 243.391 3.085 20 0 BGADHN C[C@@H]1CCCN(Cc2cccc(F)c2N)[C@H]1C ZINC000252085661 363020005 /nfs/dbraw/zinc/02/00/05/363020005.db2.gz CTUAJIXISDFVNS-MNOVXSKESA-N 0 3 236.334 3.028 20 0 BGADHN C[C@H]1CCCN(Cc2cccc(F)c2N)[C@H]1C ZINC000252085662 363019954 /nfs/dbraw/zinc/01/99/54/363019954.db2.gz CTUAJIXISDFVNS-QWRGUYRKSA-N 0 3 236.334 3.028 20 0 BGADHN C[C@@H]1CCC[C@@H](NCc2cscn2)[C@H]1C ZINC000252100914 644834727 /nfs/dbraw/zinc/83/47/27/644834727.db2.gz GFQSVUGNFYDCKM-JFGNBEQYSA-N 0 3 224.373 3.057 20 0 BGADHN C[C@@H]1CCC[C@H](NCc2cscn2)[C@H]1C ZINC000252100915 644835321 /nfs/dbraw/zinc/83/53/21/644835321.db2.gz GFQSVUGNFYDCKM-SCVCMEIPSA-N 0 3 224.373 3.057 20 0 BGADHN C[C@@H]1C[C@@H](N[C@H]2CCCc3occc32)CS1 ZINC000252129258 135084939 /nfs/dbraw/zinc/08/49/39/135084939.db2.gz LUVTXFNLALWMNA-FOGDFJRCSA-N 0 3 237.368 3.141 20 0 BGADHN C[C@@H]1C[C@H](N[C@H]2CCCc3occc32)CS1 ZINC000252129260 135084446 /nfs/dbraw/zinc/08/44/46/135084446.db2.gz LUVTXFNLALWMNA-SCVCMEIPSA-N 0 3 237.368 3.141 20 0 BGADHN C[C@@H]1CCC[C@@H](NCc2nccs2)[C@H]1C ZINC000252136618 388761907 /nfs/dbraw/zinc/76/19/07/388761907.db2.gz LOIZPHGPZBANLI-OUAUKWLOSA-N 0 3 224.373 3.057 20 0 BGADHN C[C@@H]1CCC[C@H](NCc2nccs2)[C@H]1C ZINC000252136621 388762236 /nfs/dbraw/zinc/76/22/36/388762236.db2.gz LOIZPHGPZBANLI-VWYCJHECSA-N 0 3 224.373 3.057 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CNC[C@H]2CCCCO2)o1 ZINC000252140785 398186485 /nfs/dbraw/zinc/18/64/85/398186485.db2.gz NEWPLLRCVLYYNC-BZPMIXESSA-N 0 3 249.354 3.062 20 0 BGADHN C[C@@H]1C[C@H]1c1ccc(CNC[C@H]2CCCCO2)o1 ZINC000252140786 398186533 /nfs/dbraw/zinc/18/65/33/398186533.db2.gz NEWPLLRCVLYYNC-YRGRVCCFSA-N 0 3 249.354 3.062 20 0 BGADHN C[C@H]1C[C@H](NCc2cscn2)C[C@@H](C)C1 ZINC000252144234 135085432 /nfs/dbraw/zinc/08/54/32/135085432.db2.gz NQQXSRPTYMZEGQ-URLYPYJESA-N 0 3 224.373 3.057 20 0 BGADHN C[C@@H](N[C@H]1CS[C@H](C)C1)c1ccsc1 ZINC000252148583 135085857 /nfs/dbraw/zinc/08/58/57/135085857.db2.gz OHFLWCKQJXCOCD-FXPVBKGRSA-N 0 3 227.398 3.293 20 0 BGADHN C[C@@H](N[C@@H]1CS[C@H](C)C1)c1ccsc1 ZINC000252148586 135085585 /nfs/dbraw/zinc/08/55/85/135085585.db2.gz OHFLWCKQJXCOCD-KKZNHRDASA-N 0 3 227.398 3.293 20 0 BGADHN C[C@@H]1CCC[C@H](C)[C@H]1NCc1cscn1 ZINC000252184407 177118486 /nfs/dbraw/zinc/11/84/86/177118486.db2.gz QOVODQZZQSDPSI-IAZYJMLFSA-N 0 3 224.373 3.057 20 0 BGADHN C[C@@H]1CCC[C@H](C)[C@H]1NCc1nccs1 ZINC000252196947 177118152 /nfs/dbraw/zinc/11/81/52/177118152.db2.gz SNIADQOYYPKBPT-IAZYJMLFSA-N 0 3 224.373 3.057 20 0 BGADHN C[C@H]1C[C@H](NCc2nccs2)C[C@@H](C)C1 ZINC000252210827 135087005 /nfs/dbraw/zinc/08/70/05/135087005.db2.gz YBWILIOASSWEAT-URLYPYJESA-N 0 3 224.373 3.057 20 0 BGADHN CO[C@@H]1CCCC[C@H]1N[C@H]1CCCc2occc21 ZINC000252426180 385648935 /nfs/dbraw/zinc/64/89/35/385648935.db2.gz SPJSVLKTOJSKED-GZBFAFLISA-N 0 3 249.354 3.204 20 0 BGADHN CO[C@@H]1CCCC[C@@H]1N[C@H]1CCCc2occc21 ZINC000252426181 385647807 /nfs/dbraw/zinc/64/78/07/385647807.db2.gz SPJSVLKTOJSKED-KCQAQPDRSA-N 0 3 249.354 3.204 20 0 BGADHN CO[C@@H]1CCCC[C@@H]1N[C@H](C)c1ccc(C)o1 ZINC000252426280 385647821 /nfs/dbraw/zinc/64/78/21/385647821.db2.gz UCEKUJMBOXYJMB-MBNYWOFBSA-N 0 3 237.343 3.196 20 0 BGADHN CO[C@@H]1CCCC[C@H]1N[C@H](C)c1ccc(C)o1 ZINC000252426281 385648334 /nfs/dbraw/zinc/64/83/34/385648334.db2.gz UCEKUJMBOXYJMB-YRGRVCCFSA-N 0 3 237.343 3.196 20 0 BGADHN CO[C@@H]1CCCC[C@@H]1N[C@H](C)c1cccc(O)c1 ZINC000252427309 135089124 /nfs/dbraw/zinc/08/91/24/135089124.db2.gz YCKYFJBBOCGERK-BYCMXARLSA-N 0 3 249.354 3.000 20 0 BGADHN CO[C@@H]1CCCC[C@H]1N[C@H](C)c1cccc(O)c1 ZINC000252427310 385649474 /nfs/dbraw/zinc/64/94/74/385649474.db2.gz YCKYFJBBOCGERK-KCPJHIHWSA-N 0 3 249.354 3.000 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CNCC[C@H]2CCCO2)o1 ZINC000252431056 487824174 /nfs/dbraw/zinc/82/41/74/487824174.db2.gz AALFKVQFWUYEGJ-BZPMIXESSA-N 0 3 249.354 3.062 20 0 BGADHN C[C@@H]1C[C@H]1c1ccc(CNCC[C@H]2CCCO2)o1 ZINC000252431057 487824096 /nfs/dbraw/zinc/82/40/96/487824096.db2.gz AALFKVQFWUYEGJ-YRGRVCCFSA-N 0 3 249.354 3.062 20 0 BGADHN Cc1csc(CN[C@H]2C[C@H](C)C[C@H](C)C2)n1 ZINC000252473582 135090753 /nfs/dbraw/zinc/09/07/53/135090753.db2.gz WBXFIZVTCGDYID-IAZYJMLFSA-N 0 3 238.400 3.366 20 0 BGADHN C[C@@H]1CN(CC2CCC2)[C@@H](c2ccccc2)CO1 ZINC000252480974 135090593 /nfs/dbraw/zinc/09/05/93/135090593.db2.gz HIFCQQGIBUEEPZ-CZUORRHYSA-N 0 3 245.366 3.249 20 0 BGADHN C[C@H]1CN(CC2CCC2)[C@@H](c2ccccc2)CO1 ZINC000252480975 135090795 /nfs/dbraw/zinc/09/07/95/135090795.db2.gz HIFCQQGIBUEEPZ-XJKSGUPXSA-N 0 3 245.366 3.249 20 0 BGADHN CC[C@H](C)[C@H](C)NC/C(Cl)=C\Cl ZINC000252636391 642891376 /nfs/dbraw/zinc/89/13/76/642891376.db2.gz GUPPRWCBECTKCO-LSUQNPSCSA-N 0 3 210.148 3.330 20 0 BGADHN Cc1cnc(CN[C@H]2C[C@H](C)C[C@H](C)C2)s1 ZINC000252683968 388769629 /nfs/dbraw/zinc/76/96/29/388769629.db2.gz FQAKKPCJNIFAFU-IAZYJMLFSA-N 0 3 238.400 3.366 20 0 BGADHN CCO[C@@H]1C[C@H](N[C@H](C)c2ccoc2)C12CCC2 ZINC000252696325 135097169 /nfs/dbraw/zinc/09/71/69/135097169.db2.gz ZHYZPHMYDRARSK-KWCYVHTRSA-N 0 3 249.354 3.278 20 0 BGADHN CCO[C@@H]1C[C@@H](N[C@H](C)c2ccoc2)C12CCC2 ZINC000252696326 535416651 /nfs/dbraw/zinc/41/66/51/535416651.db2.gz ZHYZPHMYDRARSK-MRVWCRGKSA-N 0 3 249.354 3.278 20 0 BGADHN Cc1cnc([C@H](C)N[C@@H]2CCC[C@H]2C)s1 ZINC000252711254 135099818 /nfs/dbraw/zinc/09/98/18/135099818.db2.gz IZLYDGTYSDNYEF-DVVUODLYSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1cnc([C@H](C)N[C@H]2CCC[C@H]2C)s1 ZINC000252711255 135099791 /nfs/dbraw/zinc/09/97/91/135099791.db2.gz IZLYDGTYSDNYEF-MIMYLULJSA-N 0 3 224.373 3.291 20 0 BGADHN CCc1ccc([C@H](C)NC[C@H]2C[C@H]2C)o1 ZINC000252715712 388774764 /nfs/dbraw/zinc/77/47/64/388774764.db2.gz WMFYDQYZTAMSJF-OUAUKWLOSA-N 0 3 207.317 3.149 20 0 BGADHN CCc1ccc([C@H](C)NC[C@@H]2C[C@H]2C)o1 ZINC000252715713 325692581 /nfs/dbraw/zinc/69/25/81/325692581.db2.gz WMFYDQYZTAMSJF-VWYCJHECSA-N 0 3 207.317 3.149 20 0 BGADHN Cc1nc([C@H](C)NC[C@@H]2C[C@H]2C)c(C)s1 ZINC000252721815 538101176 /nfs/dbraw/zinc/10/11/76/538101176.db2.gz OVCOSHNQZRCREG-FYBVGQRMSA-N 0 3 224.373 3.067 20 0 BGADHN Cc1nc([C@H](C)NC[C@H]2C[C@H]2C)c(C)s1 ZINC000252721816 538100946 /nfs/dbraw/zinc/10/09/46/538100946.db2.gz OVCOSHNQZRCREG-VHSKPIJISA-N 0 3 224.373 3.067 20 0 BGADHN C[C@H](N[C@@H]1CC[C@@H](C)CC1)c1ccc(F)cn1 ZINC000252729085 176213049 /nfs/dbraw/zinc/21/30/49/176213049.db2.gz FBXPTXQAOCZTDC-GVXVVHGQSA-N 0 3 236.334 3.450 20 0 BGADHN C[C@@H](N[C@@H]1CC[C@@H](C)CC1)c1ccc(F)cn1 ZINC000252729086 176214512 /nfs/dbraw/zinc/21/45/12/176214512.db2.gz FBXPTXQAOCZTDC-NQBHXWOUSA-N 0 3 236.334 3.450 20 0 BGADHN C[C@H](N[C@@H]1CC[C@@H](C)CC1)c1cscn1 ZINC000252732514 176213624 /nfs/dbraw/zinc/21/36/24/176213624.db2.gz VKVHBLGIARSWRP-DCAQKATOSA-N 0 3 224.373 3.372 20 0 BGADHN C[C@@H](N[C@@H]1CC[C@@H](C)CC1)c1cscn1 ZINC000252732515 176214313 /nfs/dbraw/zinc/21/43/13/176214313.db2.gz VKVHBLGIARSWRP-GMTAPVOTSA-N 0 3 224.373 3.372 20 0 BGADHN CC[C@@H]1CCC[C@H]1N[C@H](C)c1nccs1 ZINC000252739771 171002447 /nfs/dbraw/zinc/00/24/47/171002447.db2.gz KSOIPPVPQWFAJS-GMTAPVOTSA-N 0 3 224.373 3.372 20 0 BGADHN CC[C@@H]1CCC[C@@H]1N[C@H](C)c1nccs1 ZINC000252739772 364673179 /nfs/dbraw/zinc/67/31/79/364673179.db2.gz KSOIPPVPQWFAJS-MXWKQRLJSA-N 0 3 224.373 3.372 20 0 BGADHN COc1cc(C)nc(CN[C@H]2CC[C@H](C)CC2)c1 ZINC000252740483 322947337 /nfs/dbraw/zinc/94/73/37/322947337.db2.gz JGQIHOGBBICCIP-AULYBMBSSA-N 0 3 248.370 3.067 20 0 BGADHN CS[C@@H]1CC[C@@H](N[C@H](C)c2nccs2)C1 ZINC000252741851 644897541 /nfs/dbraw/zinc/89/75/41/644897541.db2.gz VSSSLZWVWIHKLA-OPRDCNLKSA-N 0 3 242.413 3.078 20 0 BGADHN C[C@H](C[C@H](C)O)N[C@H](C)c1ccc(Cl)s1 ZINC000252747208 135106767 /nfs/dbraw/zinc/10/67/67/135106767.db2.gz CIMVQYICSATNCY-HRDYMLBCSA-N 0 3 247.791 3.212 20 0 BGADHN C[C@@H](N[C@@H](C)C[C@H](C)O)c1ccc(Cl)s1 ZINC000252747209 135106546 /nfs/dbraw/zinc/10/65/46/135106546.db2.gz CIMVQYICSATNCY-XHNCKOQMSA-N 0 3 247.791 3.212 20 0 BGADHN CC[C@H](N[C@@H](C)C[C@H](C)O)c1ccccc1F ZINC000252748408 135107156 /nfs/dbraw/zinc/10/71/56/135107156.db2.gz DMMMHTPRIHLXIC-MJVIPROJSA-N 0 3 239.334 3.026 20 0 BGADHN CC[C@H](N[C@H](C)C[C@H](C)O)c1ccccc1F ZINC000252748697 135107538 /nfs/dbraw/zinc/10/75/38/135107538.db2.gz DMMMHTPRIHLXIC-SUNKGSAMSA-N 0 3 239.334 3.026 20 0 BGADHN C[C@H](C[C@H](C)O)N[C@H](C)c1cc2ccccc2o1 ZINC000252752076 135107592 /nfs/dbraw/zinc/10/75/92/135107592.db2.gz HBIKLJUQWCDWAH-GRYCIOLGSA-N 0 3 247.338 3.243 20 0 BGADHN C[C@@H](N[C@@H](C)C[C@H](C)O)c1cc2ccccc2o1 ZINC000252752077 135107629 /nfs/dbraw/zinc/10/76/29/135107629.db2.gz HBIKLJUQWCDWAH-SDDRHHMPSA-N 0 3 247.338 3.243 20 0 BGADHN C[C@@H](N[C@@H](C)C[C@H](C)O)c1ccccc1Cl ZINC000252758906 135107761 /nfs/dbraw/zinc/10/77/61/135107761.db2.gz LEAJMSDOLFSXSX-GARJFASQSA-N 0 3 241.762 3.150 20 0 BGADHN C[C@H](C[C@H](C)O)N[C@H](C)c1ccccc1Cl ZINC000252758909 135107724 /nfs/dbraw/zinc/10/77/24/135107724.db2.gz LEAJMSDOLFSXSX-OUAUKWLOSA-N 0 3 241.762 3.150 20 0 BGADHN CC[C@H](N[C@H]1CCO[C@H]1C)c1ccccc1F ZINC000252778255 385659491 /nfs/dbraw/zinc/65/94/91/385659491.db2.gz PGQBRGZEGRKVML-BPNCWPANSA-N 0 3 237.318 3.044 20 0 BGADHN CC[C@H](N[C@@H]1CCO[C@H]1C)c1ccccc1F ZINC000252778256 171542320 /nfs/dbraw/zinc/54/23/20/171542320.db2.gz PGQBRGZEGRKVML-LEWSCRJBSA-N 0 3 237.318 3.044 20 0 BGADHN CS[C@@H]1CC[C@H](N[C@H](C)c2cscn2)C1 ZINC000252787564 644907709 /nfs/dbraw/zinc/90/77/09/644907709.db2.gz BHILCPNGQJBOJF-KXUCPTDWSA-N 0 3 242.413 3.078 20 0 BGADHN CS[C@@H]1CC[C@@H](N[C@H](C)c2cscn2)C1 ZINC000252787566 643115391 /nfs/dbraw/zinc/11/53/91/643115391.db2.gz BHILCPNGQJBOJF-OPRDCNLKSA-N 0 3 242.413 3.078 20 0 BGADHN CC[C@@H]1CCC[C@H]1N[C@H](C)c1cscn1 ZINC000252788107 171002866 /nfs/dbraw/zinc/00/28/66/171002866.db2.gz JTHKWNPTHTXPBR-GMTAPVOTSA-N 0 3 224.373 3.372 20 0 BGADHN CC[C@@H]1CCC[C@@H]1N[C@H](C)c1cscn1 ZINC000252788108 364674260 /nfs/dbraw/zinc/67/42/60/364674260.db2.gz JTHKWNPTHTXPBR-MXWKQRLJSA-N 0 3 224.373 3.372 20 0 BGADHN CC[C@H](C)[C@@H](C)N[C@H](C)c1cscn1 ZINC000252788748 388783749 /nfs/dbraw/zinc/78/37/49/388783749.db2.gz SKQDIJUSZZVVJD-IVZWLZJFSA-N 0 3 212.362 3.228 20 0 BGADHN CC[C@H](C)[C@H](C)N[C@H](C)c1cscn1 ZINC000252788749 349206183 /nfs/dbraw/zinc/20/61/83/349206183.db2.gz SKQDIJUSZZVVJD-LPEHRKFASA-N 0 3 212.362 3.228 20 0 BGADHN Cc1cnc(CN[C@@H]2CC[C@@H](C)C[C@H]2C)s1 ZINC000252808705 135111855 /nfs/dbraw/zinc/11/18/55/135111855.db2.gz KMVOSQHADHYFOI-CKYFFXLPSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1cnc(CN[C@@H]2CC[C@H](C)C[C@H]2C)s1 ZINC000252808706 135112240 /nfs/dbraw/zinc/11/22/40/135112240.db2.gz KMVOSQHADHYFOI-HOSYDEDBSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1nnc([C@H](C)N[C@@H]2CCCC[C@H]2C)s1 ZINC000252816461 135111792 /nfs/dbraw/zinc/11/17/92/135111792.db2.gz WRFBXTSHACXBRZ-WCABBAIRSA-N 0 3 239.388 3.076 20 0 BGADHN Cc1nnc([C@H](C)N[C@H]2CCCC[C@H]2C)s1 ZINC000252816462 135111660 /nfs/dbraw/zinc/11/16/60/135111660.db2.gz WRFBXTSHACXBRZ-YWVKMMECSA-N 0 3 239.388 3.076 20 0 BGADHN Cc1csc(CN[C@H]2CC[C@H](C)CC2)n1 ZINC000252888930 192370847 /nfs/dbraw/zinc/37/08/47/192370847.db2.gz CCPXUCXAMHWQPI-HOMQSWHASA-N 0 3 224.373 3.120 20 0 BGADHN C[C@@H]1C[C@H]1c1ccc(CNC[C@H]2C[C@H]2C)o1 ZINC000252958448 135117347 /nfs/dbraw/zinc/11/73/47/135117347.db2.gz LIYPHXWSJCOHQJ-PRULPYPASA-N 0 3 219.328 3.149 20 0 BGADHN C[C@@H]1C[C@@H]1CNCc1ccc([C@H]2C[C@H]2C)o1 ZINC000252958450 135117893 /nfs/dbraw/zinc/11/78/93/135117893.db2.gz LIYPHXWSJCOHQJ-UZWSLXQKSA-N 0 3 219.328 3.149 20 0 BGADHN C[C@@H]1C[C@@H]1CNCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000252958452 135117939 /nfs/dbraw/zinc/11/79/39/135117939.db2.gz LIYPHXWSJCOHQJ-XZUYRWCXSA-N 0 3 219.328 3.149 20 0 BGADHN Cc1nc(CN[C@H]2CC[C@H](C)CC2)cs1 ZINC000252964059 388794524 /nfs/dbraw/zinc/79/45/24/388794524.db2.gz QNDXPFBWHAGLMB-HOMQSWHASA-N 0 3 224.373 3.120 20 0 BGADHN CCc1nc(CN[C@H]2CC[C@H](C)CC2)cs1 ZINC000252970892 388794987 /nfs/dbraw/zinc/79/49/87/388794987.db2.gz XMBAUHOPUPENLF-XYPYZODXSA-N 0 3 238.400 3.374 20 0 BGADHN Cc1ccc(CN[C@H]2CC[C@H](C)CC2)o1 ZINC000252972732 388795125 /nfs/dbraw/zinc/79/51/25/388795125.db2.gz ZSKDWAPJIPBNLD-UMSPYCQHSA-N 0 3 207.317 3.256 20 0 BGADHN CC[C@@H]1CCCC[C@H]1N[C@H](C)c1ncc[nH]1 ZINC000252979705 535819347 /nfs/dbraw/zinc/81/93/47/535819347.db2.gz JCDJFXZPBIWXAM-IJLUTSLNSA-N 0 3 221.348 3.029 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1N[C@H](C)c1ncc[nH]1 ZINC000252979706 135118630 /nfs/dbraw/zinc/11/86/30/135118630.db2.gz JCDJFXZPBIWXAM-UTUOFQBUSA-N 0 3 221.348 3.029 20 0 BGADHN CC[C@@H]1CCC[C@@H](N[C@H](C)c2ncc[nH]2)C1 ZINC000252980283 135118368 /nfs/dbraw/zinc/11/83/68/135118368.db2.gz LQFYXWPZVULSKW-IJLUTSLNSA-N 0 3 221.348 3.029 20 0 BGADHN CC[C@@H]1CCC[C@H](N[C@H](C)c2ncc[nH]2)C1 ZINC000252980284 135118687 /nfs/dbraw/zinc/11/86/87/135118687.db2.gz LQFYXWPZVULSKW-UTUOFQBUSA-N 0 3 221.348 3.029 20 0 BGADHN C[C@H](N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1ncc[nH]1 ZINC000252981801 135118378 /nfs/dbraw/zinc/11/83/78/135118378.db2.gz SUBSGAJOFSILDM-REWJHTLYSA-N 0 3 247.386 3.419 20 0 BGADHN C[C@H](N[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1ncc[nH]1 ZINC000252981802 135118480 /nfs/dbraw/zinc/11/84/80/135118480.db2.gz SUBSGAJOFSILDM-RFQIPJPRSA-N 0 3 247.386 3.419 20 0 BGADHN C[C@H](N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1ncc[nH]1 ZINC000252981803 135118929 /nfs/dbraw/zinc/11/89/29/135118929.db2.gz SUBSGAJOFSILDM-XDQVBPFNSA-N 0 3 247.386 3.419 20 0 BGADHN C[C@H]1CC[C@H]([NH2+]Cc2cc([O-])cc(F)c2)CC1 ZINC000253112697 325709674 /nfs/dbraw/zinc/70/96/74/325709674.db2.gz HFMKCSKDQDNPST-MJHDQNEOSA-N 0 3 237.318 3.200 20 0 BGADHN C[C@@H](O)CCN(C)[C@H](C)c1cccc(Cl)c1 ZINC000253179729 385670132 /nfs/dbraw/zinc/67/01/32/385670132.db2.gz CZCWPFIXBXMSCM-GHMZBOCLSA-N 0 3 241.762 3.104 20 0 BGADHN C[C@H](c1cccc(Cl)c1)N(C)CC[C@H](C)O ZINC000253179730 385669483 /nfs/dbraw/zinc/66/94/83/385669483.db2.gz CZCWPFIXBXMSCM-WDEREUQCSA-N 0 3 241.762 3.104 20 0 BGADHN Cc1ccoc1CN[C@H]1CC[C@H](C)CC1 ZINC000253188210 388809519 /nfs/dbraw/zinc/80/95/19/388809519.db2.gz JSVBDICBXGTJPY-UMSPYCQHSA-N 0 3 207.317 3.256 20 0 BGADHN C[C@H]1CC[C@H](NCc2cn3ccccc3n2)CC1 ZINC000253195049 176213500 /nfs/dbraw/zinc/21/35/00/176213500.db2.gz RBUGUXJPEVUEOS-JOCQHMNTSA-N 0 3 243.354 3.003 20 0 BGADHN C[C@@H](O)CCN(C)[C@H](C)c1ccc(Cl)cc1 ZINC000253199175 385669138 /nfs/dbraw/zinc/66/91/38/385669138.db2.gz WFWYRNNDDFOEIR-GHMZBOCLSA-N 0 3 241.762 3.104 20 0 BGADHN C[C@H](c1ccc(Cl)cc1)N(C)CC[C@H](C)O ZINC000253199178 385669566 /nfs/dbraw/zinc/66/95/66/385669566.db2.gz WFWYRNNDDFOEIR-WDEREUQCSA-N 0 3 241.762 3.104 20 0 BGADHN CCCC[C@@H](CC)CN1CCC(=O)[C@H](C)C1 ZINC000253237268 388810246 /nfs/dbraw/zinc/81/02/46/388810246.db2.gz FKQRMMWOEFWHQS-CHWSQXEVSA-N 0 3 225.376 3.114 20 0 BGADHN CCCC[C@H](CC)CN1CCC(=O)[C@H](C)C1 ZINC000253237269 388810851 /nfs/dbraw/zinc/81/08/51/388810851.db2.gz FKQRMMWOEFWHQS-OLZOCXBDSA-N 0 3 225.376 3.114 20 0 BGADHN C[C@H](c1ccccc1)N1C[C@@H](C)OC(C)(C)C1 ZINC000253360408 135126718 /nfs/dbraw/zinc/12/67/18/135126718.db2.gz SYVBBCSJEPJRFM-CHWSQXEVSA-N 0 3 233.355 3.247 20 0 BGADHN C[C@H](c1ccccc1)N1C[C@H](C)OC(C)(C)C1 ZINC000253360409 135127104 /nfs/dbraw/zinc/12/71/04/135127104.db2.gz SYVBBCSJEPJRFM-QWHCGFSZSA-N 0 3 233.355 3.247 20 0 BGADHN Cc1ccc(C)c(OCCN2CCC(C)CC2)c1 ZINC000253480857 350929394 /nfs/dbraw/zinc/92/93/94/350929394.db2.gz ZGRXMPVTCWPFEP-UHFFFAOYSA-N 0 3 247.382 3.414 20 0 BGADHN C[C@@H](c1cccs1)N(C)C[C@H]1CCCCO1 ZINC000253605798 176032932 /nfs/dbraw/zinc/03/29/32/176032932.db2.gz BXYSZOUZBCPEHH-NWDGAFQWSA-N 0 3 239.384 3.310 20 0 BGADHN C[C@H](c1cccs1)N(C)C[C@H]1CCCCO1 ZINC000253605800 177048411 /nfs/dbraw/zinc/04/84/11/177048411.db2.gz BXYSZOUZBCPEHH-VXGBXAGGSA-N 0 3 239.384 3.310 20 0 BGADHN CCOC[C@@H]1CCN(C/C=C\c2ccccc2)C1 ZINC000254929721 388867027 /nfs/dbraw/zinc/86/70/27/388867027.db2.gz JKFNJVKOBYSAMD-CXOKCQFOSA-N 0 3 245.366 3.058 20 0 BGADHN CCOC[C@H]1CCN(C/C=C\c2ccccc2)C1 ZINC000254929723 388866759 /nfs/dbraw/zinc/86/67/59/388866759.db2.gz JKFNJVKOBYSAMD-HWYHOQROSA-N 0 3 245.366 3.058 20 0 BGADHN Cl/C=C\CNC1(c2ccccc2)CCC1 ZINC000254939353 642444323 /nfs/dbraw/zinc/44/43/23/642444323.db2.gz GPQZYVBOHTVPOV-YHYXMXQVSA-N 0 3 221.731 3.408 20 0 BGADHN CC(C)C1CCN(C/C=C\Cl)CC1 ZINC000254985535 642443445 /nfs/dbraw/zinc/44/34/45/642443445.db2.gz ZIZLGIZLQYJMEV-UTCJRWHESA-N 0 3 201.741 3.107 20 0 BGADHN CN(C/C=C\c1ccc(Cl)cc1)C1CC1 ZINC000255002609 388870951 /nfs/dbraw/zinc/87/09/51/388870951.db2.gz LCDOIWQGNFDNAV-IHWYPQMZSA-N 0 3 221.731 3.447 20 0 BGADHN CN(C/C=C\c1ccccc1)CCOCC1CC1 ZINC000255006348 388871232 /nfs/dbraw/zinc/87/12/32/388871232.db2.gz YUQDNDSVSZKOQY-YVMONPNESA-N 0 3 245.366 3.058 20 0 BGADHN CO[C@H]1CCCN(C/C(C)=C\c2ccccc2)C1 ZINC000255017578 388871018 /nfs/dbraw/zinc/87/10/18/388871018.db2.gz NIXGBBNNMONONB-QBOMHBFWSA-N 0 3 245.366 3.201 20 0 BGADHN CO[C@@H]1CCCN(C/C(C)=C\c2ccccc2)C1 ZINC000255017581 388871168 /nfs/dbraw/zinc/87/11/68/388871168.db2.gz NIXGBBNNMONONB-SYCZXOQXSA-N 0 3 245.366 3.201 20 0 BGADHN COc1ccccc1/C=C\CNCc1ccoc1 ZINC000255026950 322977579 /nfs/dbraw/zinc/97/75/79/322977579.db2.gz XEHGKHIGEAYDOI-XQRVVYSFSA-N 0 3 243.306 3.091 20 0 BGADHN CSCCN(C)C/C(C)=C\c1ccccc1 ZINC000255033978 388873624 /nfs/dbraw/zinc/87/36/24/388873624.db2.gz OFQDKHQPHNAWDJ-QBFSEMIESA-N 0 3 235.396 3.385 20 0 BGADHN Fc1ccc(/C=C\CNCc2ccoc2)cc1 ZINC000255069433 322904310 /nfs/dbraw/zinc/90/43/10/322904310.db2.gz UDJQYSKDDDTKKL-UPHRSURJSA-N 0 3 231.270 3.222 20 0 BGADHN Cl/C=C\CN1CC[C@@H](c2ccccc2)C1 ZINC000255125625 643458738 /nfs/dbraw/zinc/45/87/38/643458738.db2.gz IQQPRLFMSKPPAA-IBSXUBTNSA-N 0 3 221.731 3.228 20 0 BGADHN Cl/C=C\CN1CC[C@H](c2ccccc2)C1 ZINC000255125626 643459060 /nfs/dbraw/zinc/45/90/60/643459060.db2.gz IQQPRLFMSKPPAA-UKOWJOKBSA-N 0 3 221.731 3.228 20 0 BGADHN C[C@@H]1CSCCN1C/C=C\c1ccccc1 ZINC000255191099 135128177 /nfs/dbraw/zinc/12/81/77/135128177.db2.gz DKLIECHGTCGLPL-DMTLFAOVSA-N 0 3 233.380 3.137 20 0 BGADHN C[C@H]1CSCCN1C/C=C\c1ccccc1 ZINC000255191101 135128602 /nfs/dbraw/zinc/12/86/02/135128602.db2.gz DKLIECHGTCGLPL-UJZCVKTISA-N 0 3 233.380 3.137 20 0 BGADHN Cc1ccccc1[C@@H](C)NC/C=C\Cl ZINC000255323432 631227214 /nfs/dbraw/zinc/22/72/14/631227214.db2.gz NPQKSTHRBGKVQA-UIJKISKDSA-N 0 3 209.720 3.398 20 0 BGADHN C[C@@H](Cc1ccc(O)cc1)N(C)C/C=C\Cl ZINC000255395755 631478358 /nfs/dbraw/zinc/47/83/58/631478358.db2.gz IWNIRUFKDKYQMW-DZHRUPLWSA-N 0 3 239.746 3.008 20 0 BGADHN C[C@H](Cc1ccc(O)cc1)N(C)C/C=C\Cl ZINC000255395756 631477554 /nfs/dbraw/zinc/47/75/54/631477554.db2.gz IWNIRUFKDKYQMW-UVYAAXSVSA-N 0 3 239.746 3.008 20 0 BGADHN CC(C)(NC/C=C\Cl)c1ccc(F)cc1 ZINC000255422109 631650463 /nfs/dbraw/zinc/65/04/63/631650463.db2.gz IVPOJKGTBPHJJL-BAQGIRSFSA-N 0 3 227.710 3.403 20 0 BGADHN CSCCN(C)C/C=C\c1ccc(F)cc1 ZINC000255472278 135130139 /nfs/dbraw/zinc/13/01/39/135130139.db2.gz HGOODSPZXVUJRM-ARJAWSKDSA-N 0 3 239.359 3.134 20 0 BGADHN CCO[C@@H]1C[C@H](N(C)C/C=C\Cl)C12CCC2 ZINC000255493613 631785478 /nfs/dbraw/zinc/78/54/78/631785478.db2.gz BGUSOVQDDMFQSE-HJLXKUKWSA-N 0 3 243.778 3.018 20 0 BGADHN CCO[C@@H]1C[C@@H](N(C)C/C=C\Cl)C12CCC2 ZINC000255493616 631785857 /nfs/dbraw/zinc/78/58/57/631785857.db2.gz BGUSOVQDDMFQSE-OBBGCOQJSA-N 0 3 243.778 3.018 20 0 BGADHN CCCO[C@@H]1CCCN(C/C=C\Cl)CC1 ZINC000255500734 631828237 /nfs/dbraw/zinc/82/82/37/631828237.db2.gz AHYARIZXMJHEGF-DJFZKKHWSA-N 0 3 231.767 3.020 20 0 BGADHN CCCO[C@H]1CCCN(C/C=C\Cl)CC1 ZINC000255500735 631827153 /nfs/dbraw/zinc/82/71/53/631827153.db2.gz AHYARIZXMJHEGF-KMSCOEIWSA-N 0 3 231.767 3.020 20 0 BGADHN CCOCCN(CC)C/C=C\c1ccccc1 ZINC000255515968 135129992 /nfs/dbraw/zinc/12/99/92/135129992.db2.gz LSUXVGQAUNPFGN-FLIBITNWSA-N 0 3 233.355 3.058 20 0 BGADHN CC[C@@H]1CCN(C/C=C\c2ccccc2OC)C1 ZINC000255547292 384790369 /nfs/dbraw/zinc/79/03/69/384790369.db2.gz YLRWMCWVATVYHT-IQCBXXCUSA-N 0 3 245.366 3.440 20 0 BGADHN CC[C@H]1CCN(C/C=C\c2ccccc2OC)C1 ZINC000255547295 384790296 /nfs/dbraw/zinc/79/02/96/384790296.db2.gz YLRWMCWVATVYHT-QPBFKRLHSA-N 0 3 245.366 3.440 20 0 BGADHN COCC1CCN(C/C=C\c2ccccc2)CC1 ZINC000255549998 135129906 /nfs/dbraw/zinc/12/99/06/135129906.db2.gz WXUDCZASCWCDQZ-YVMONPNESA-N 0 3 245.366 3.058 20 0 BGADHN CN(C/C=C\Cl)[C@H]1CCc2ccccc2C1 ZINC000255558863 632042397 /nfs/dbraw/zinc/04/23/97/632042397.db2.gz XLYFRXDIGGYYKJ-DFGFTWQDSA-N 0 3 235.758 3.228 20 0 BGADHN CN(C/C=C\Cl)[C@@H]1CCc2ccccc2C1 ZINC000255558866 632043920 /nfs/dbraw/zinc/04/39/20/632043920.db2.gz XLYFRXDIGGYYKJ-RXTQTKKPSA-N 0 3 235.758 3.228 20 0 BGADHN CC(C)CN1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000255612493 535139565 /nfs/dbraw/zinc/13/95/65/535139565.db2.gz YXMRHUUSOIMLFW-HIFRSBDPSA-N 0 3 233.355 3.104 20 0 BGADHN COC[C@@H](C)N(C)C/C(C)=C\c1ccccc1 ZINC000255612802 384894231 /nfs/dbraw/zinc/89/42/31/384894231.db2.gz WHTOVPZARJUPNT-QLKUMGTLSA-N 0 3 233.355 3.057 20 0 BGADHN COC[C@H](C)N(C)C/C(C)=C\c1ccccc1 ZINC000255612803 384893239 /nfs/dbraw/zinc/89/32/39/384893239.db2.gz WHTOVPZARJUPNT-ZVHGMHCTSA-N 0 3 233.355 3.057 20 0 BGADHN Cl/C=C\CN1CCS[C@@H]2CCCC[C@H]21 ZINC000255659513 643874829 /nfs/dbraw/zinc/87/48/29/643874829.db2.gz BKSMWQDEPQYEOJ-KQLCGWBMSA-N 0 3 231.792 3.099 20 0 BGADHN Cl/C=C\CN1CCS[C@@H]2CCCC[C@@H]21 ZINC000255659514 632683682 /nfs/dbraw/zinc/68/36/82/632683682.db2.gz BKSMWQDEPQYEOJ-QUQTYHIESA-N 0 3 231.792 3.099 20 0 BGADHN CN(C/C=C\c1ccccc1)[C@@H]1CCSC1 ZINC000255671613 135129880 /nfs/dbraw/zinc/12/98/80/135129880.db2.gz DACXNXJJKKLSJU-BMWLXYDHSA-N 0 3 233.380 3.137 20 0 BGADHN CN(C/C=C\c1ccccc1)[C@H]1CCSC1 ZINC000255671614 135130019 /nfs/dbraw/zinc/13/00/19/135130019.db2.gz DACXNXJJKKLSJU-PODYEWJSSA-N 0 3 233.380 3.137 20 0 BGADHN Cl/C=C\CN1CCCc2ccccc2C1 ZINC000255716666 632699954 /nfs/dbraw/zinc/69/99/54/632699954.db2.gz FTHKWMNMMZJKLY-YWEYNIOJSA-N 0 3 221.731 3.187 20 0 BGADHN C/C(=C/c1ccccc1)CNCc1ccoc1 ZINC000255753133 385015122 /nfs/dbraw/zinc/01/51/22/385015122.db2.gz DSLUXBQSGROQGG-LCYFTJDESA-N 0 3 227.307 3.473 20 0 BGADHN CCN(C/C=C\c1ccccc1OC)C1CC1 ZINC000255767067 385021911 /nfs/dbraw/zinc/02/19/11/385021911.db2.gz DSUOLTFGHGNETH-VURMDHGXSA-N 0 3 231.339 3.193 20 0 BGADHN COc1ccccc1/C=C\CN1CCC[C@H]1C ZINC000255838491 135130582 /nfs/dbraw/zinc/13/05/82/135130582.db2.gz VPYDZSXLBNUHKE-OYVUYXNMSA-N 0 3 231.339 3.193 20 0 BGADHN COc1ccccc1/C=C\CN1CCC[C@@H]1C ZINC000255838492 135130426 /nfs/dbraw/zinc/13/04/26/135130426.db2.gz VPYDZSXLBNUHKE-XURPKSDJSA-N 0 3 231.339 3.193 20 0 BGADHN COC[C@H]1CCCN(C/C=C\c2ccccc2)C1 ZINC000255840819 536520607 /nfs/dbraw/zinc/52/06/07/536520607.db2.gz CXBJYXNKULXWJM-GEZBDVBVSA-N 0 3 245.366 3.058 20 0 BGADHN COC[C@@H]1CCCN(C/C=C\c2ccccc2)C1 ZINC000255840847 536754169 /nfs/dbraw/zinc/75/41/69/536754169.db2.gz CXBJYXNKULXWJM-MEMKZHQFSA-N 0 3 245.366 3.058 20 0 BGADHN C(=C\c1ccccc1)\CNCc1ccoc1 ZINC000255887027 322941695 /nfs/dbraw/zinc/94/16/95/322941695.db2.gz JJCVVDBIHHBHKQ-DAXSKMNVSA-N 0 3 213.280 3.083 20 0 BGADHN CCSCC[C@H](C)N(C)C/C=C\Cl ZINC000255889206 632956736 /nfs/dbraw/zinc/95/67/36/632956736.db2.gz STTAMCVMCIGNLA-BXKUYDPTSA-N 0 3 221.797 3.202 20 0 BGADHN CCSCC[C@@H](C)N(C)C/C=C\Cl ZINC000255889207 632958657 /nfs/dbraw/zinc/95/86/57/632958657.db2.gz STTAMCVMCIGNLA-ONRRBMGISA-N 0 3 221.797 3.202 20 0 BGADHN C/C(=C/c1ccccc1)CN(C)C[C@@H]1CCCO1 ZINC000255890142 491118541 /nfs/dbraw/zinc/11/85/41/491118541.db2.gz VVGCOKMIQYHFPP-QBOMHBFWSA-N 0 3 245.366 3.201 20 0 BGADHN C/C(=C/c1ccccc1)CN(C)C[C@H]1CCCO1 ZINC000255890143 491118522 /nfs/dbraw/zinc/11/85/22/491118522.db2.gz VVGCOKMIQYHFPP-SYCZXOQXSA-N 0 3 245.366 3.201 20 0 BGADHN CCCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000255954372 385244155 /nfs/dbraw/zinc/24/41/55/385244155.db2.gz HTSSLRTXFFPORH-INIZCTEOSA-N 0 3 246.398 3.165 20 0 BGADHN CC(C)CCN1CCN(C)C[C@H]1c1ccccc1 ZINC000255954512 135130389 /nfs/dbraw/zinc/13/03/89/135130389.db2.gz ORCUVYVOBFJWAL-INIZCTEOSA-N 0 3 246.398 3.021 20 0 BGADHN Cc1ccc(C)c(NC(=O)[C@H](N)CCC(C)C)c1 ZINC000257646976 385481467 /nfs/dbraw/zinc/48/14/67/385481467.db2.gz BAQAEYPZXGPOPU-CYBMUJFWSA-N 0 3 248.370 3.005 20 0 BGADHN Cc1ccc(C)c(NC(=O)[C@@H](N)CCC(C)C)c1 ZINC000257646977 385481497 /nfs/dbraw/zinc/48/14/97/385481497.db2.gz BAQAEYPZXGPOPU-ZDUSSCGKSA-N 0 3 248.370 3.005 20 0 BGADHN Cc1cccc(NC(=O)[C@H](N)CCC(C)C)c1C ZINC000257677834 385484900 /nfs/dbraw/zinc/48/49/00/385484900.db2.gz IQRQCBTYVIOZPL-CYBMUJFWSA-N 0 3 248.370 3.005 20 0 BGADHN Cc1cccc(NC(=O)[C@@H](N)CCC(C)C)c1C ZINC000257677837 385485469 /nfs/dbraw/zinc/48/54/69/385485469.db2.gz IQRQCBTYVIOZPL-ZDUSSCGKSA-N 0 3 248.370 3.005 20 0 BGADHN Cc1ccc(NC(=O)[C@H](N)CCC(C)C)c(C)c1 ZINC000257691239 385492720 /nfs/dbraw/zinc/49/27/20/385492720.db2.gz MDIGCMUZFZMSGU-CYBMUJFWSA-N 0 3 248.370 3.005 20 0 BGADHN Cc1ccc(NC(=O)[C@@H](N)CCC(C)C)c(C)c1 ZINC000257691240 385492962 /nfs/dbraw/zinc/49/29/62/385492962.db2.gz MDIGCMUZFZMSGU-ZDUSSCGKSA-N 0 3 248.370 3.005 20 0 BGADHN Cc1cccc(C)c1NC(=O)[C@H](N)CCC(C)C ZINC000257692846 385489169 /nfs/dbraw/zinc/48/91/69/385489169.db2.gz MNDGSTGMTNPEIT-CYBMUJFWSA-N 0 3 248.370 3.005 20 0 BGADHN Cc1cccc(C)c1NC(=O)[C@@H](N)CCC(C)C ZINC000257692848 385489100 /nfs/dbraw/zinc/48/91/00/385489100.db2.gz MNDGSTGMTNPEIT-ZDUSSCGKSA-N 0 3 248.370 3.005 20 0 BGADHN Cc1ccc(NC(=O)[C@@H](N)CCC(C)C)cc1C ZINC000257737834 397827378 /nfs/dbraw/zinc/82/73/78/397827378.db2.gz XLJLOPUNLIXMIQ-AWEZNQCLSA-N 0 3 248.370 3.005 20 0 BGADHN Cc1ccc(NC(=O)[C@H](N)CCC(C)C)cc1C ZINC000257737835 397827393 /nfs/dbraw/zinc/82/73/93/397827393.db2.gz XLJLOPUNLIXMIQ-CQSZACIVSA-N 0 3 248.370 3.005 20 0 BGADHN Cc1cccc2[nH]c(CN3CCCCC3)cc21 ZINC000257876952 488090513 /nfs/dbraw/zinc/09/05/13/488090513.db2.gz JHFUZZFQDKADFU-UHFFFAOYSA-N 0 3 228.339 3.462 20 0 BGADHN Cc1ccc2cc(CN3CCCCC3)[nH]c2c1 ZINC000257903379 488092050 /nfs/dbraw/zinc/09/20/50/488092050.db2.gz OKJRZLSDGXHGKU-UHFFFAOYSA-N 0 3 228.339 3.462 20 0 BGADHN Cc1cccc2[nH]c(CN3CCCC3)cc21 ZINC000257906385 488092153 /nfs/dbraw/zinc/09/21/53/488092153.db2.gz OZCBSGARUZTPHO-UHFFFAOYSA-N 0 3 214.312 3.072 20 0 BGADHN Cc1ccc2cc(CN3CCCC3)[nH]c2c1 ZINC000257938476 488092725 /nfs/dbraw/zinc/09/27/25/488092725.db2.gz VAWXMWOQHODYQX-UHFFFAOYSA-N 0 3 214.312 3.072 20 0 BGADHN NC1(c2nc(C3CCC3)cs2)CCCC1 ZINC000258034725 135132382 /nfs/dbraw/zinc/13/23/82/135132382.db2.gz GMZAAAONOAXBFL-UHFFFAOYSA-N 0 3 222.357 3.139 20 0 BGADHN Fc1ccc2oc(CNC3CCC3)cc2c1 ZINC000258054219 135132390 /nfs/dbraw/zinc/13/23/90/135132390.db2.gz ONIHYJYIEIRMFS-UHFFFAOYSA-N 0 3 219.259 3.214 20 0 BGADHN Fc1ccc2oc(CN3CCCC3)cc2c1 ZINC000258142667 322874702 /nfs/dbraw/zinc/87/47/02/322874702.db2.gz VXPUTJXYSOUZCG-UHFFFAOYSA-N 0 3 219.259 3.168 20 0 BGADHN Fc1ccc2cc(CN3CCCCC3)[nH]c2c1 ZINC000258180719 384930681 /nfs/dbraw/zinc/93/06/81/384930681.db2.gz YWAPZBRUEZZJMY-UHFFFAOYSA-N 0 3 232.302 3.293 20 0 BGADHN Fc1ccc2[nH]cc(CN3CCCCC3)c2c1 ZINC000258187468 385551889 /nfs/dbraw/zinc/55/18/89/385551889.db2.gz ZFXMCELYCWVKSI-UHFFFAOYSA-N 0 3 232.302 3.293 20 0 BGADHN CC(C)Cc1csc([C@H]2CCCCN2)n1 ZINC000258790511 384659904 /nfs/dbraw/zinc/65/99/04/384659904.db2.gz GQDOZJCDETWTMZ-LLVKDONJSA-N 0 3 224.373 3.156 20 0 BGADHN CC(C)Cc1csc([C@@H]2CCCCN2)n1 ZINC000258790533 384659192 /nfs/dbraw/zinc/65/91/92/384659192.db2.gz GQDOZJCDETWTMZ-NSHDSACASA-N 0 3 224.373 3.156 20 0 BGADHN CN(Cc1cccc(F)c1)CC1CCC(=O)CC1 ZINC000258891609 385779021 /nfs/dbraw/zinc/77/90/21/385779021.db2.gz KBHPPXXIVGJWEF-UHFFFAOYSA-N 0 3 249.329 3.017 20 0 BGADHN CC(=O)CCN(C)Cc1ccc2ccccc2c1 ZINC000258893179 188193482 /nfs/dbraw/zinc/19/34/82/188193482.db2.gz JRXYABVEZHEFOS-UHFFFAOYSA-N 0 3 241.334 3.251 20 0 BGADHN c1sc([C@@H]2CCCCN2)nc1C1CCC1 ZINC000258911505 384695149 /nfs/dbraw/zinc/69/51/49/384695149.db2.gz OYWYRHWFRNILFP-JTQLQIEISA-N 0 3 222.357 3.225 20 0 BGADHN c1sc([C@H]2CCCCN2)nc1C1CCC1 ZINC000258911517 384696714 /nfs/dbraw/zinc/69/67/14/384696714.db2.gz OYWYRHWFRNILFP-SNVBAGLBSA-N 0 3 222.357 3.225 20 0 BGADHN Cc1ccc(CNCc2cccc(N)c2)c(C)c1 ZINC000258921831 488142714 /nfs/dbraw/zinc/14/27/14/488142714.db2.gz GDGDBYQDDLLADI-UHFFFAOYSA-N 0 3 240.350 3.175 20 0 BGADHN Cc1ccsc1CN(C)Cc1cccc(N)c1 ZINC000258921886 135135695 /nfs/dbraw/zinc/13/56/95/135135695.db2.gz GFYYWQRKOOTTTL-UHFFFAOYSA-N 0 3 246.379 3.271 20 0 BGADHN CN(Cc1ccc(F)cc1)CC1CCC(=O)CC1 ZINC000258924076 135135485 /nfs/dbraw/zinc/13/54/85/135135485.db2.gz NQUKGFUABUZFRP-UHFFFAOYSA-N 0 3 249.329 3.017 20 0 BGADHN Cc1ccc(CNCc2cccc(N)c2)cc1C ZINC000258950903 488144465 /nfs/dbraw/zinc/14/44/65/488144465.db2.gz INZZHRTUZXPQAQ-UHFFFAOYSA-N 0 3 240.350 3.175 20 0 BGADHN Cc1ccc(C)c(CNCc2cccc(N)c2)c1 ZINC000259006901 488146561 /nfs/dbraw/zinc/14/65/61/488146561.db2.gz MTCZQSCBMHWZGQ-UHFFFAOYSA-N 0 3 240.350 3.175 20 0 BGADHN CN(CCO)Cc1ccc(C2CCCCC2)cc1 ZINC000259067839 536392246 /nfs/dbraw/zinc/39/22/46/536392246.db2.gz RRALADUQEPCGIE-UHFFFAOYSA-N 0 3 247.382 3.158 20 0 BGADHN CCc1ccc(CNCc2cccc(N)c2)cc1 ZINC000259144821 488150856 /nfs/dbraw/zinc/15/08/56/488150856.db2.gz XLQRSSFVGLTHGZ-UHFFFAOYSA-N 0 3 240.350 3.121 20 0 BGADHN C[C@H](c1ccccc1)N1CCC(F)(F)CC1 ZINC000259380324 538812275 /nfs/dbraw/zinc/81/22/75/538812275.db2.gz QBJGEOAPFWPSTQ-LLVKDONJSA-N 0 3 225.282 3.479 20 0 BGADHN C[C@@H](c1ccccc1)N1CCC(F)(F)CC1 ZINC000259380327 538813508 /nfs/dbraw/zinc/81/35/08/538813508.db2.gz QBJGEOAPFWPSTQ-NSHDSACASA-N 0 3 225.282 3.479 20 0 BGADHN CCOc1ccc(CN(C)C(C)C)cc1F ZINC000259953312 385786945 /nfs/dbraw/zinc/78/69/45/385786945.db2.gz GTZKVLISHZUIAD-UHFFFAOYSA-N 0 3 225.307 3.065 20 0 BGADHN C[C@H]1CCN(CCc2c(F)cccc2Cl)C1 ZINC000261384211 323324473 /nfs/dbraw/zinc/32/44/73/323324473.db2.gz INAFTUGAISLAEG-JTQLQIEISA-N 0 3 241.737 3.363 20 0 BGADHN C[C@@H]1CCN(CCc2c(F)cccc2Cl)C1 ZINC000261384214 323324107 /nfs/dbraw/zinc/32/41/07/323324107.db2.gz INAFTUGAISLAEG-SNVBAGLBSA-N 0 3 241.737 3.363 20 0 BGADHN C[C@@H]1CCN(CCc2ccccc2Cl)C1 ZINC000261396503 323328271 /nfs/dbraw/zinc/32/82/71/323328271.db2.gz SLFJKRHHFUKSIU-LLVKDONJSA-N 0 3 223.747 3.224 20 0 BGADHN C[C@H]1CCN(CCc2ccccc2Cl)C1 ZINC000261396506 323328683 /nfs/dbraw/zinc/32/86/83/323328683.db2.gz SLFJKRHHFUKSIU-NSHDSACASA-N 0 3 223.747 3.224 20 0 BGADHN CCCCCN1CCc2ccc(OC)cc2C1 ZINC000261427763 342840927 /nfs/dbraw/zinc/84/09/27/342840927.db2.gz JKDNMWQRGLTWAL-UHFFFAOYSA-N 0 3 233.355 3.244 20 0 BGADHN COc1ccc2[nH]cc(CN3CCCCC3)c2c1 ZINC000261507728 175202846 /nfs/dbraw/zinc/20/28/46/175202846.db2.gz LPPAVRIRVJXRKS-UHFFFAOYSA-N 0 3 244.338 3.162 20 0 BGADHN Cc1sc(C2(N)CCCC2)nc1C1CC1 ZINC000261537056 135173137 /nfs/dbraw/zinc/17/31/37/135173137.db2.gz URRLUVCIKHXAFM-UHFFFAOYSA-N 0 3 222.357 3.057 20 0 BGADHN CNCc1nc(-c2cc(C)sc2C)cs1 ZINC000261558329 135198943 /nfs/dbraw/zinc/19/89/43/135198943.db2.gz YCTROCPKORHQEL-UHFFFAOYSA-N 0 3 238.381 3.208 20 0 BGADHN CCC[C@](C)(N)C(=O)Nc1ccc(C)c(CC)c1 ZINC000261562297 135203705 /nfs/dbraw/zinc/20/37/05/135203705.db2.gz GKQJUOQCRRGVEK-HNNXBMFYSA-N 0 3 248.370 3.013 20 0 BGADHN CCC[C@@](C)(N)C(=O)Nc1ccc(C)c(CC)c1 ZINC000261562301 135109556 /nfs/dbraw/zinc/10/95/56/135109556.db2.gz GKQJUOQCRRGVEK-OAHLLOKOSA-N 0 3 248.370 3.013 20 0 BGADHN C[C@H](N)c1nc(CCC2CCCC2)cs1 ZINC000261582317 135223325 /nfs/dbraw/zinc/22/33/25/135223325.db2.gz ODWDWPZZSNQMJY-VIFPVBQESA-N 0 3 224.373 3.286 20 0 BGADHN CC(C)Cc1csc(C2(N)CCCC2)n1 ZINC000261586308 135227373 /nfs/dbraw/zinc/22/73/73/135227373.db2.gz QZUAJCUPFJYKKV-UHFFFAOYSA-N 0 3 224.373 3.070 20 0 BGADHN CCCN[C@H](C)C(=O)Nc1ccc(C(C)C)cc1 ZINC000261706167 169285223 /nfs/dbraw/zinc/28/52/23/169285223.db2.gz FYDOZZMIAWXCDF-GFCCVEGCSA-N 0 3 248.370 3.137 20 0 BGADHN CCCN[C@@H](C)C(=O)Nc1ccc(C(C)C)cc1 ZINC000261706170 169275048 /nfs/dbraw/zinc/27/50/48/169275048.db2.gz FYDOZZMIAWXCDF-LBPRGKRZSA-N 0 3 248.370 3.137 20 0 BGADHN Cc1ccc(CN(C)Cc2cccc(N)c2)s1 ZINC000261768217 135251445 /nfs/dbraw/zinc/25/14/45/135251445.db2.gz YQRPQOGKZXVRJP-UHFFFAOYSA-N 0 3 246.379 3.271 20 0 BGADHN CCCN[C@H](C)C(=O)Nc1ccccc1C(C)C ZINC000261982191 135268679 /nfs/dbraw/zinc/26/86/79/135268679.db2.gz IMAKZAVLQAHBTR-GFCCVEGCSA-N 0 3 248.370 3.137 20 0 BGADHN CCCN[C@@H](C)C(=O)Nc1ccccc1C(C)C ZINC000261982192 135268860 /nfs/dbraw/zinc/26/88/60/135268860.db2.gz IMAKZAVLQAHBTR-LBPRGKRZSA-N 0 3 248.370 3.137 20 0 BGADHN CCN(C/C=C\c1ccccc1)C[C@H]1CCCO1 ZINC000263634357 326101232 /nfs/dbraw/zinc/10/12/32/326101232.db2.gz TYTNZKXBYITFKG-CXSQMQJXSA-N 0 3 245.366 3.201 20 0 BGADHN CCN(C/C=C\c1ccccc1)C[C@@H]1CCCO1 ZINC000263634358 326101277 /nfs/dbraw/zinc/10/12/77/326101277.db2.gz TYTNZKXBYITFKG-DIEDAUMRSA-N 0 3 245.366 3.201 20 0 BGADHN CCC1(C)CCN(Cc2cccnc2)CC1 ZINC000263676178 386164748 /nfs/dbraw/zinc/16/47/48/386164748.db2.gz HHSFFMSZOGAYPO-UHFFFAOYSA-N 0 3 218.344 3.094 20 0 BGADHN CCC(C)(C)C(=O)Nc1ccc(CN(C)C)cc1 ZINC000263717776 168269203 /nfs/dbraw/zinc/26/92/03/168269203.db2.gz DCDYLNRMSWRRFV-UHFFFAOYSA-N 0 3 248.370 3.123 20 0 BGADHN CC(C)(C)OCCNC(C)(C)c1ccccc1 ZINC000263719227 386169011 /nfs/dbraw/zinc/16/90/11/386169011.db2.gz OENWKSCZEFNCCQ-UHFFFAOYSA-N 0 3 235.371 3.326 20 0 BGADHN CC(C)N(Cc1cccs1)C[C@H]1CCCO1 ZINC000263740845 187332043 /nfs/dbraw/zinc/33/20/43/187332043.db2.gz IJHMNQPRIAQKGW-GFCCVEGCSA-N 0 3 239.384 3.138 20 0 BGADHN CC(C)N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000263740850 187331429 /nfs/dbraw/zinc/33/14/29/187331429.db2.gz IJHMNQPRIAQKGW-LBPRGKRZSA-N 0 3 239.384 3.138 20 0 BGADHN CC[C@@H](C)N(Cc1ccno1)Cc1ccccc1 ZINC000263755239 386172827 /nfs/dbraw/zinc/17/28/27/386172827.db2.gz JHBMPZYVZURUPE-CYBMUJFWSA-N 0 3 244.338 3.475 20 0 BGADHN CC[C@H](C)N(Cc1ccno1)Cc1ccccc1 ZINC000263755244 171316377 /nfs/dbraw/zinc/31/63/77/171316377.db2.gz JHBMPZYVZURUPE-ZDUSSCGKSA-N 0 3 244.338 3.475 20 0 BGADHN CCC1(C)CCN(Cc2ccccn2)CC1 ZINC000263757736 386172851 /nfs/dbraw/zinc/17/28/51/386172851.db2.gz UDWVPIVOLIOZIA-UHFFFAOYSA-N 0 3 218.344 3.094 20 0 BGADHN C[C@H](c1cccnc1)N(C)CC(C)(C)C ZINC000263798888 177045678 /nfs/dbraw/zinc/04/56/78/177045678.db2.gz POZJNORAFCTPOY-LLVKDONJSA-N 0 3 206.333 3.121 20 0 BGADHN C[C@@H](c1cccnc1)N(C)CC(C)(C)C ZINC000263798889 176029661 /nfs/dbraw/zinc/02/96/61/176029661.db2.gz POZJNORAFCTPOY-NSHDSACASA-N 0 3 206.333 3.121 20 0 BGADHN CC(C)[C@@H](C)N(C)Cc1nc2ccccc2n1C ZINC000263964986 167367508 /nfs/dbraw/zinc/36/75/08/167367508.db2.gz RISIWGVEUWRESG-GFCCVEGCSA-N 0 3 245.370 3.050 20 0 BGADHN CC(C)[C@H](C)N(C)Cc1nc2ccccc2n1C ZINC000263964987 386197429 /nfs/dbraw/zinc/19/74/29/386197429.db2.gz RISIWGVEUWRESG-LBPRGKRZSA-N 0 3 245.370 3.050 20 0 BGADHN CC(C)(C)OCCNC1(c2ccccc2)CC1 ZINC000263971975 386196987 /nfs/dbraw/zinc/19/69/87/386196987.db2.gz BYMWWJPEZPQQOM-UHFFFAOYSA-N 0 3 233.355 3.080 20 0 BGADHN CC(C)OCCCN(Cc1ccco1)C(C)C ZINC000264047660 167212320 /nfs/dbraw/zinc/21/23/20/167212320.db2.gz RTXKQAJMRKLXLG-UHFFFAOYSA-N 0 3 239.359 3.305 20 0 BGADHN c1ccc([C@@H]2CCCN2Cc2ccccn2)cc1 ZINC000264282798 386223345 /nfs/dbraw/zinc/22/33/45/386223345.db2.gz PCKXNRXIUBTCCU-INIZCTEOSA-N 0 3 238.334 3.419 20 0 BGADHN c1ccc([C@H]2CCCN2Cc2ccccn2)cc1 ZINC000264282803 386223745 /nfs/dbraw/zinc/22/37/45/386223745.db2.gz PCKXNRXIUBTCCU-MRXNPFEDSA-N 0 3 238.334 3.419 20 0 BGADHN CCN(Cc1ccccn1)Cc1ccccc1C ZINC000264304775 351232456 /nfs/dbraw/zinc/23/24/56/351232456.db2.gz WTSOCUMHZJKDJI-UHFFFAOYSA-N 0 3 240.350 3.412 20 0 BGADHN C[C@H]1C[C@@H](NCc2cccnc2)c2ccccc21 ZINC000264382596 177333205 /nfs/dbraw/zinc/33/32/05/177333205.db2.gz OZMPTDQDPWDEAT-BLLLJJGKSA-N 0 3 238.334 3.420 20 0 BGADHN C[C@H]1C[C@H](NCc2cccnc2)c2ccccc21 ZINC000264382597 177370489 /nfs/dbraw/zinc/37/04/89/177370489.db2.gz OZMPTDQDPWDEAT-LRDDRELGSA-N 0 3 238.334 3.420 20 0 BGADHN C[C@@H]1C[C@@H](NCc2cccnc2)c2ccccc21 ZINC000264382598 176377414 /nfs/dbraw/zinc/37/74/14/176377414.db2.gz OZMPTDQDPWDEAT-MLGOLLRUSA-N 0 3 238.334 3.420 20 0 BGADHN C[C@@H]1C[C@H](NCc2cccnc2)c2ccccc21 ZINC000264382599 388991775 /nfs/dbraw/zinc/99/17/75/388991775.db2.gz OZMPTDQDPWDEAT-WBMJQRKESA-N 0 3 238.334 3.420 20 0 BGADHN COc1ccnc(CN(C)C2CCC(C)CC2)c1 ZINC000264392532 187332018 /nfs/dbraw/zinc/33/20/18/187332018.db2.gz FDPUFHWYMWJVFL-UHFFFAOYSA-N 0 3 248.370 3.101 20 0 BGADHN COc1ccnc(CN2CCC[C@H]2C(C)(C)C)c1 ZINC000264392650 175359354 /nfs/dbraw/zinc/35/93/54/175359354.db2.gz FHYJFPIQJPEMIV-AWEZNQCLSA-N 0 3 248.370 3.101 20 0 BGADHN COc1ccnc(CN2CCC[C@@H]2C(C)(C)C)c1 ZINC000264392652 175358967 /nfs/dbraw/zinc/35/89/67/175358967.db2.gz FHYJFPIQJPEMIV-CQSZACIVSA-N 0 3 248.370 3.101 20 0 BGADHN Cc1n[nH]cc1CN[C@H]1C[C@@H](C)c2ccccc21 ZINC000264396401 388991231 /nfs/dbraw/zinc/99/12/31/388991231.db2.gz UMKVABKZWQITOP-BMIGLBTASA-N 0 3 241.338 3.056 20 0 BGADHN Cc1n[nH]cc1CN[C@H]1C[C@H](C)c2ccccc21 ZINC000264396403 388992208 /nfs/dbraw/zinc/99/22/08/388992208.db2.gz UMKVABKZWQITOP-BONVTDFDSA-N 0 3 241.338 3.056 20 0 BGADHN Cc1n[nH]cc1CN[C@@H]1C[C@@H](C)c2ccccc21 ZINC000264396407 187397766 /nfs/dbraw/zinc/39/77/66/187397766.db2.gz UMKVABKZWQITOP-MEBBXXQBSA-N 0 3 241.338 3.056 20 0 BGADHN Cc1n[nH]cc1CN[C@@H]1C[C@H](C)c2ccccc21 ZINC000264396410 187235214 /nfs/dbraw/zinc/23/52/14/187235214.db2.gz UMKVABKZWQITOP-ZUZCIYMTSA-N 0 3 241.338 3.056 20 0 BGADHN COc1ccnc(CN(CCC(C)C)C2CC2)c1 ZINC000264404310 346934633 /nfs/dbraw/zinc/93/46/33/346934633.db2.gz HPUBVXPDJHHXGP-UHFFFAOYSA-N 0 3 248.370 3.101 20 0 BGADHN CN(Cc1ccc2ccccc2c1)[C@H]1CCOC1 ZINC000264407402 386234119 /nfs/dbraw/zinc/23/41/19/386234119.db2.gz ILNMLGHSHAYDLS-INIZCTEOSA-N 0 3 241.334 3.061 20 0 BGADHN CN(Cc1ccc2ccccc2c1)[C@@H]1CCOC1 ZINC000264407404 386234687 /nfs/dbraw/zinc/23/46/87/386234687.db2.gz ILNMLGHSHAYDLS-MRXNPFEDSA-N 0 3 241.334 3.061 20 0 BGADHN C[C@H](CNCc1ccoc1)c1ccc(F)cc1 ZINC000264409579 386234579 /nfs/dbraw/zinc/23/45/79/386234579.db2.gz ZDXAHYNOANQNAB-LLVKDONJSA-N 0 3 233.286 3.312 20 0 BGADHN C[C@@H](CNCc1ccoc1)c1ccc(F)cc1 ZINC000264409581 386235027 /nfs/dbraw/zinc/23/50/27/386235027.db2.gz ZDXAHYNOANQNAB-NSHDSACASA-N 0 3 233.286 3.312 20 0 BGADHN CC[C@H](O)CN(C)Cc1csc2ccccc12 ZINC000264464437 386240141 /nfs/dbraw/zinc/24/01/41/386240141.db2.gz QGVGJSWTSGMPIR-LBPRGKRZSA-N 0 3 249.379 3.104 20 0 BGADHN Fc1cccc(N2CCCC2)c1CNC1CCC1 ZINC000264568796 386248707 /nfs/dbraw/zinc/24/87/07/386248707.db2.gz WMVAAQIMPYXUIH-UHFFFAOYSA-N 0 3 248.345 3.068 20 0 BGADHN CCCCCN(Cc1ccno1)C(C)C ZINC000264621624 386255103 /nfs/dbraw/zinc/25/51/03/386255103.db2.gz ODWDIJPYCKZZKQ-UHFFFAOYSA-N 0 3 210.321 3.075 20 0 BGADHN C[C@@H]1CCN(c2ccnc3ccccc32)C1 ZINC000264630681 176181787 /nfs/dbraw/zinc/18/17/87/176181787.db2.gz BAWKAOUJRZTUEH-LLVKDONJSA-N 0 3 212.296 3.081 20 0 BGADHN C[C@H]1CCN(c2ccnc3ccccc32)C1 ZINC000264630683 177171774 /nfs/dbraw/zinc/17/17/74/177171774.db2.gz BAWKAOUJRZTUEH-NSHDSACASA-N 0 3 212.296 3.081 20 0 BGADHN CO[C@H](C)CCNc1ccnc2ccccc21 ZINC000264668088 388992456 /nfs/dbraw/zinc/99/24/56/388992456.db2.gz ODAZEEDTHMWXER-LLVKDONJSA-N 0 3 230.311 3.072 20 0 BGADHN CO[C@@H](C)CCNc1ccnc2ccccc21 ZINC000264668092 388992816 /nfs/dbraw/zinc/99/28/16/388992816.db2.gz ODAZEEDTHMWXER-NSHDSACASA-N 0 3 230.311 3.072 20 0 BGADHN CN(CCC(F)(F)F)C1Cc2ccccc2C1 ZINC000264707625 386263578 /nfs/dbraw/zinc/26/35/78/386263578.db2.gz LIWPIFYSFHLJHP-UHFFFAOYSA-N 0 3 243.272 3.038 20 0 BGADHN CC[C@H](NCCC(=O)OC(C)C)c1ccccc1 ZINC000264818797 171518433 /nfs/dbraw/zinc/51/84/33/171518433.db2.gz AGEXVIZGVCWBHR-AWEZNQCLSA-N 0 3 249.354 3.069 20 0 BGADHN CC[C@@H](NCCC(=O)OC(C)C)c1ccccc1 ZINC000264818798 386273361 /nfs/dbraw/zinc/27/33/61/386273361.db2.gz AGEXVIZGVCWBHR-CQSZACIVSA-N 0 3 249.354 3.069 20 0 BGADHN c1ccc2c(c1)nccc2N1CCCSCC1 ZINC000264832899 397928058 /nfs/dbraw/zinc/92/80/58/397928058.db2.gz IFVLVCKIGFPJSA-UHFFFAOYSA-N 0 3 244.363 3.178 20 0 BGADHN C[C@H](c1cccnc1)N1CCCC(C)(C)C1 ZINC000264836371 177045695 /nfs/dbraw/zinc/04/56/95/177045695.db2.gz SXERHCUYHFZEHU-GFCCVEGCSA-N 0 3 218.344 3.265 20 0 BGADHN C[C@@H](c1cccnc1)N1CCCC(C)(C)C1 ZINC000264836373 176028575 /nfs/dbraw/zinc/02/85/75/176028575.db2.gz SXERHCUYHFZEHU-LBPRGKRZSA-N 0 3 218.344 3.265 20 0 BGADHN CCC(C)(C)N(C)Cc1cnc(C)s1 ZINC000265089222 168288953 /nfs/dbraw/zinc/28/89/53/168288953.db2.gz AVBRFXHUPWGYMM-UHFFFAOYSA-N 0 3 212.362 3.072 20 0 BGADHN CC(C)N(CCc1cccnc1)Cc1ccco1 ZINC000265122046 188194200 /nfs/dbraw/zinc/19/42/00/188194200.db2.gz KGBKSQGGUGQDEO-UHFFFAOYSA-N 0 3 244.338 3.128 20 0 BGADHN C[C@H]1C[C@@H](c2ccccc2)CN1Cc1ccno1 ZINC000265178646 177339477 /nfs/dbraw/zinc/33/94/77/177339477.db2.gz CZTSNVJSTNMNGB-GXTWGEPZSA-N 0 3 242.322 3.053 20 0 BGADHN C[C@H]1C[C@H](c2ccccc2)CN1Cc1ccno1 ZINC000265178649 177375732 /nfs/dbraw/zinc/37/57/32/177375732.db2.gz CZTSNVJSTNMNGB-JSGCOSHPSA-N 0 3 242.322 3.053 20 0 BGADHN C[C@@H]1C[C@H](c2ccccc2)CN1Cc1ccno1 ZINC000265178652 386316479 /nfs/dbraw/zinc/31/64/79/386316479.db2.gz CZTSNVJSTNMNGB-OCCSQVGLSA-N 0 3 242.322 3.053 20 0 BGADHN C[C@@H]1C[C@@H](c2ccccc2)CN1Cc1ccno1 ZINC000265178655 386315164 /nfs/dbraw/zinc/31/51/64/386315164.db2.gz CZTSNVJSTNMNGB-TZMCWYRMSA-N 0 3 242.322 3.053 20 0 BGADHN CCC(C)(C)N(C)CC(=O)Nc1ccccc1C ZINC000265186013 168286960 /nfs/dbraw/zinc/28/69/60/168286960.db2.gz HSIIWFDIMRPLQF-UHFFFAOYSA-N 0 3 248.370 3.054 20 0 BGADHN CN(CC1CCC1)C[C@@H]1OCCc2ccccc21 ZINC000265192615 386316069 /nfs/dbraw/zinc/31/60/69/386316069.db2.gz HNARKNUISRZFLS-INIZCTEOSA-N 0 3 245.366 3.032 20 0 BGADHN CN(CC1CCC1)C[C@H]1OCCc2ccccc21 ZINC000265192617 386316632 /nfs/dbraw/zinc/31/66/32/386316632.db2.gz HNARKNUISRZFLS-MRXNPFEDSA-N 0 3 245.366 3.032 20 0 BGADHN CCC(C)(C)N(C)CC(=O)Nc1cccc(C)c1 ZINC000265205538 168285636 /nfs/dbraw/zinc/28/56/36/168285636.db2.gz KQSNABUKGMBHIJ-UHFFFAOYSA-N 0 3 248.370 3.054 20 0 BGADHN Cc1ccc(CNCCCc2ccc(O)cc2)o1 ZINC000265463882 386342601 /nfs/dbraw/zinc/34/26/01/386342601.db2.gz HHUAIZYLICUSKG-UHFFFAOYSA-N 0 3 245.322 3.016 20 0 BGADHN Cc1csc(C2(NCC(C)C)CCC2)n1 ZINC000265491041 179767674 /nfs/dbraw/zinc/76/76/74/179767674.db2.gz NFQMWYCOCNTKQS-UHFFFAOYSA-N 0 3 224.373 3.076 20 0 BGADHN CCCCNC1(c2nc(C)cs2)CCC1 ZINC000265538346 386735341 /nfs/dbraw/zinc/73/53/41/386735341.db2.gz WIZNUHGVJDBNPG-UHFFFAOYSA-N 0 3 224.373 3.220 20 0 BGADHN Cc1nc(CN2CCC[C@@H]2C(C)C)cs1 ZINC000265601984 386350542 /nfs/dbraw/zinc/35/05/42/386350542.db2.gz JTCUYGSZUVRQID-GFCCVEGCSA-N 0 3 224.373 3.072 20 0 BGADHN Cc1nc(CN2CCC[C@H]2C(C)C)cs1 ZINC000265601987 386351080 /nfs/dbraw/zinc/35/10/80/386351080.db2.gz JTCUYGSZUVRQID-LBPRGKRZSA-N 0 3 224.373 3.072 20 0 BGADHN Cn1cccc1CNC(C)(C)c1ccccc1 ZINC000265643864 387396187 /nfs/dbraw/zinc/39/61/87/387396187.db2.gz JTVPDPRYXDAPOI-UHFFFAOYSA-N 0 3 228.339 3.050 20 0 BGADHN Cc1ccc2c(c1)[C@@H](NCc1cccn1C)CC2 ZINC000265644973 386354504 /nfs/dbraw/zinc/35/45/04/386354504.db2.gz KOVUXCNBMUQQNJ-INIZCTEOSA-N 0 3 240.350 3.111 20 0 BGADHN Cc1ccc2c(c1)[C@H](NCc1cccn1C)CC2 ZINC000265644975 386355959 /nfs/dbraw/zinc/35/59/59/386355959.db2.gz KOVUXCNBMUQQNJ-MRXNPFEDSA-N 0 3 240.350 3.111 20 0 BGADHN CCCN(Cc1csc(C)n1)CC(C)C ZINC000265645172 169180493 /nfs/dbraw/zinc/18/04/93/169180493.db2.gz SWKGEHBJEHOJFH-UHFFFAOYSA-N 0 3 226.389 3.320 20 0 BGADHN C[C@H]1C[C@@H](NCc2cccn2C)c2ccccc21 ZINC000265645935 177334126 /nfs/dbraw/zinc/33/41/26/177334126.db2.gz KXXRFIBIIKRDQO-BLLLJJGKSA-N 0 3 240.350 3.363 20 0 BGADHN C[C@H]1C[C@H](NCc2cccn2C)c2ccccc21 ZINC000265645937 177369921 /nfs/dbraw/zinc/36/99/21/177369921.db2.gz KXXRFIBIIKRDQO-LRDDRELGSA-N 0 3 240.350 3.363 20 0 BGADHN C[C@@H]1C[C@@H](NCc2cccn2C)c2ccccc21 ZINC000265645939 176377804 /nfs/dbraw/zinc/37/78/04/176377804.db2.gz KXXRFIBIIKRDQO-MLGOLLRUSA-N 0 3 240.350 3.363 20 0 BGADHN C[C@@H]1C[C@H](NCc2cccn2C)c2ccccc21 ZINC000265645941 386354344 /nfs/dbraw/zinc/35/43/44/386354344.db2.gz KXXRFIBIIKRDQO-WBMJQRKESA-N 0 3 240.350 3.363 20 0 BGADHN CC(C)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000265647234 386354774 /nfs/dbraw/zinc/35/47/74/386354774.db2.gz MFMFPTYMQVLRBI-CYBMUJFWSA-N 0 3 249.329 3.129 20 0 BGADHN CC(C)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000265647235 386355692 /nfs/dbraw/zinc/35/56/92/386355692.db2.gz MFMFPTYMQVLRBI-ZDUSSCGKSA-N 0 3 249.329 3.129 20 0 BGADHN CC[C@H](NCc1cccn1C)c1ccc(F)cc1 ZINC000265647922 386357362 /nfs/dbraw/zinc/35/73/62/386357362.db2.gz LYLOGJUIIWHZPF-HNNXBMFYSA-N 0 3 246.329 3.405 20 0 BGADHN CC[C@@H](NCc1cccn1C)c1ccc(F)cc1 ZINC000265647923 351273647 /nfs/dbraw/zinc/27/36/47/351273647.db2.gz LYLOGJUIIWHZPF-OAHLLOKOSA-N 0 3 246.329 3.405 20 0 BGADHN C[C@@H](CNc1ccnc2ccccc21)C[C@H](C)O ZINC000265802873 388994234 /nfs/dbraw/zinc/99/42/34/388994234.db2.gz CKFXTPBCHPJOFH-NEPJUHHUSA-N 0 3 244.338 3.054 20 0 BGADHN C[C@@H](O)C[C@H](C)CNc1ccnc2ccccc21 ZINC000265802874 388994226 /nfs/dbraw/zinc/99/42/26/388994226.db2.gz CKFXTPBCHPJOFH-NWDGAFQWSA-N 0 3 244.338 3.054 20 0 BGADHN C[C@H](O)C[C@H](C)CNc1ccnc2ccccc21 ZINC000265802875 177000011 /nfs/dbraw/zinc/00/00/11/177000011.db2.gz CKFXTPBCHPJOFH-RYUDHWBXSA-N 0 3 244.338 3.054 20 0 BGADHN C[C@@H](O)C[C@@H](C)CNc1ccnc2ccccc21 ZINC000265802876 388993787 /nfs/dbraw/zinc/99/37/87/388993787.db2.gz CKFXTPBCHPJOFH-VXGBXAGGSA-N 0 3 244.338 3.054 20 0 BGADHN CC(C)(NCCC(F)(F)F)c1ccccc1 ZINC000265802922 386373924 /nfs/dbraw/zinc/37/39/24/386373924.db2.gz COUVBVICTNKPAU-UHFFFAOYSA-N 0 3 231.261 3.464 20 0 BGADHN FC(F)(F)CCNC1(c2ccccc2)CC1 ZINC000265829588 388994439 /nfs/dbraw/zinc/99/44/39/388994439.db2.gz KJAPGIHVVIJOLI-UHFFFAOYSA-N 0 3 229.245 3.218 20 0 BGADHN FC(F)(F)CCN1CCCc2ccccc2C1 ZINC000265866617 386380688 /nfs/dbraw/zinc/38/06/88/386380688.db2.gz UGQQNHJMKDEXSV-UHFFFAOYSA-N 0 3 243.272 3.387 20 0 BGADHN Cc1ncc(CN2CC[C@@H](C)C[C@H]2C)s1 ZINC000265876585 326129452 /nfs/dbraw/zinc/12/94/52/326129452.db2.gz XFHSBPKTQHOIDF-NXEZZACHSA-N 0 3 224.373 3.072 20 0 BGADHN CCC[C@@H](C)N(C)Cc1sc(C)nc1C ZINC000265979693 169364586 /nfs/dbraw/zinc/36/45/86/169364586.db2.gz FFRJBGXPFMCBJM-SECBINFHSA-N 0 3 226.389 3.380 20 0 BGADHN CCC[C@H](C)N(C)Cc1sc(C)nc1C ZINC000265979695 386387809 /nfs/dbraw/zinc/38/78/09/386387809.db2.gz FFRJBGXPFMCBJM-VIFPVBQESA-N 0 3 226.389 3.380 20 0 BGADHN CCN(CCc1cccs1)Cc1ccncc1 ZINC000265981751 386389547 /nfs/dbraw/zinc/38/95/47/386389547.db2.gz BSYRTXMGQBRRQF-UHFFFAOYSA-N 0 3 246.379 3.208 20 0 BGADHN CCSCCNC1(c2ccccc2)CC1 ZINC000265982380 388994180 /nfs/dbraw/zinc/99/41/80/388994180.db2.gz FWSSGXHIIYLWTI-UHFFFAOYSA-N 0 3 221.369 3.018 20 0 BGADHN CSCCCN1CCc2sccc2[C@@H]1C ZINC000265984432 386388734 /nfs/dbraw/zinc/38/87/34/386388734.db2.gz GODSSNYRVJZKOG-JTQLQIEISA-N 0 3 241.425 3.420 20 0 BGADHN CSCCCN1CCc2sccc2[C@H]1C ZINC000265984434 386388672 /nfs/dbraw/zinc/38/86/72/386388672.db2.gz GODSSNYRVJZKOG-SNVBAGLBSA-N 0 3 241.425 3.420 20 0 BGADHN CCSCCN(Cc1ccco1)C(C)C ZINC000266017334 386391725 /nfs/dbraw/zinc/39/17/25/386391725.db2.gz VDOFDLYHIIKPPD-UHFFFAOYSA-N 0 3 227.373 3.243 20 0 BGADHN CC[C@@H](Cc1ccccc1)N(C)Cc1ccno1 ZINC000266026391 487615125 /nfs/dbraw/zinc/61/51/25/487615125.db2.gz QJQCNYIIASNACF-AWEZNQCLSA-N 0 3 244.338 3.128 20 0 BGADHN CC[C@H](Cc1ccccc1)N(C)Cc1ccno1 ZINC000266026394 487614989 /nfs/dbraw/zinc/61/49/89/487614989.db2.gz QJQCNYIIASNACF-CQSZACIVSA-N 0 3 244.338 3.128 20 0 BGADHN Cc1nc(C)c(CN(C)CC(C)(C)C)s1 ZINC000266028284 487615325 /nfs/dbraw/zinc/61/53/25/487615325.db2.gz ZIULPFNRAYXXGS-UHFFFAOYSA-N 0 3 226.389 3.238 20 0 BGADHN CCOCCNC(C)(C)c1ccc(Cl)cc1 ZINC000266054030 388994512 /nfs/dbraw/zinc/99/45/12/388994512.db2.gz VMJCZZHTHPXDFI-UHFFFAOYSA-N 0 3 241.762 3.201 20 0 BGADHN CCCC(O)(CCC)CNCc1occc1C ZINC000266145858 386402680 /nfs/dbraw/zinc/40/26/80/386402680.db2.gz ISMZNADWPILWEC-UHFFFAOYSA-N 0 3 239.359 3.009 20 0 BGADHN Cc1ccoc1CNCCCc1ccc(O)cc1 ZINC000266154209 386405484 /nfs/dbraw/zinc/40/54/84/386405484.db2.gz LKRAVICUDNNOTG-UHFFFAOYSA-N 0 3 245.322 3.016 20 0 BGADHN CCO[C@H]1C[C@H](NCc2occc2C)C12CCC2 ZINC000266160724 388995737 /nfs/dbraw/zinc/99/57/37/388995737.db2.gz NLWDDXDXUGUDSM-KBPBESRZSA-N 0 3 249.354 3.025 20 0 BGADHN CCO[C@H]1C[C@@H](NCc2occc2C)C12CCC2 ZINC000266160725 388995654 /nfs/dbraw/zinc/99/56/54/388995654.db2.gz NLWDDXDXUGUDSM-KGLIPLIRSA-N 0 3 249.354 3.025 20 0 BGADHN CCO[C@@H]1C[C@H](NCc2occc2C)C12CCC2 ZINC000266160726 388995577 /nfs/dbraw/zinc/99/55/77/388995577.db2.gz NLWDDXDXUGUDSM-UONOGXRCSA-N 0 3 249.354 3.025 20 0 BGADHN CCO[C@@H]1C[C@@H](NCc2occc2C)C12CCC2 ZINC000266160727 388994992 /nfs/dbraw/zinc/99/49/92/388994992.db2.gz NLWDDXDXUGUDSM-ZIAGYGMSSA-N 0 3 249.354 3.025 20 0 BGADHN c1coc(CN[C@@H]2C[C@@H]2Cc2ccccc2)c1 ZINC000266166076 386406723 /nfs/dbraw/zinc/40/67/23/386406723.db2.gz PLMSFDFGZLFLTP-DZGCQCFKSA-N 0 3 227.307 3.000 20 0 BGADHN c1coc(CN[C@H]2C[C@H]2Cc2ccccc2)c1 ZINC000266166080 386406451 /nfs/dbraw/zinc/40/64/51/386406451.db2.gz PLMSFDFGZLFLTP-HIFRSBDPSA-N 0 3 227.307 3.000 20 0 BGADHN c1coc(CN[C@@H]2C[C@H]2Cc2ccccc2)c1 ZINC000266166083 386406254 /nfs/dbraw/zinc/40/62/54/386406254.db2.gz PLMSFDFGZLFLTP-UKRRQHHQSA-N 0 3 227.307 3.000 20 0 BGADHN c1coc(CN[C@H]2C[C@@H]2Cc2ccccc2)c1 ZINC000266166087 386406124 /nfs/dbraw/zinc/40/61/24/386406124.db2.gz PLMSFDFGZLFLTP-ZFWWWQNUSA-N 0 3 227.307 3.000 20 0 BGADHN Cc1ccoc1CN[C@H](C)CCc1cccn1C ZINC000266167086 386405515 /nfs/dbraw/zinc/40/55/15/386405515.db2.gz PWUSFZXRLXSKIM-CYBMUJFWSA-N 0 3 246.354 3.037 20 0 BGADHN Cc1ccoc1CN[C@@H](C)CCc1cccn1C ZINC000266167090 386405196 /nfs/dbraw/zinc/40/51/96/386405196.db2.gz PWUSFZXRLXSKIM-ZDUSSCGKSA-N 0 3 246.354 3.037 20 0 BGADHN CO[C@H](CNCc1occc1C)c1ccccc1 ZINC000266167916 388995545 /nfs/dbraw/zinc/99/55/45/388995545.db2.gz BARBJPKUEPCJQV-OAHLLOKOSA-N 0 3 245.322 3.065 20 0 BGADHN Cc1ccoc1CN[C@H](C)Cc1ccc(O)cc1 ZINC000266168014 388995412 /nfs/dbraw/zinc/99/54/12/388995412.db2.gz BEGBCQPSYFCDII-GFCCVEGCSA-N 0 3 245.322 3.014 20 0 BGADHN Cc1ccoc1CN[C@@H](C)Cc1ccc(O)cc1 ZINC000266168016 388994864 /nfs/dbraw/zinc/99/48/64/388994864.db2.gz BEGBCQPSYFCDII-LBPRGKRZSA-N 0 3 245.322 3.014 20 0 BGADHN Cc1ncsc1CNC(C)(C)c1ccccc1 ZINC000266195222 180320891 /nfs/dbraw/zinc/32/08/91/180320891.db2.gz JUIMFIRPYUPHNM-UHFFFAOYSA-N 0 3 246.379 3.476 20 0 BGADHN Cc1ccoc1CNCCCOC1CCCC1 ZINC000266225245 386414404 /nfs/dbraw/zinc/41/44/04/386414404.db2.gz SJVWMZSJSKAAKE-UHFFFAOYSA-N 0 3 237.343 3.027 20 0 BGADHN Cc1ccoc1CNC[C@@H](C)Oc1ccccc1 ZINC000266243596 386416465 /nfs/dbraw/zinc/41/64/65/386416465.db2.gz XVMUTYOJMRXCLD-CYBMUJFWSA-N 0 3 245.322 3.145 20 0 BGADHN Cc1ccoc1CNC[C@H](C)Oc1ccccc1 ZINC000266243598 386416219 /nfs/dbraw/zinc/41/62/19/386416219.db2.gz XVMUTYOJMRXCLD-ZDUSSCGKSA-N 0 3 245.322 3.145 20 0 BGADHN C[C@@H](NCCSC(C)(C)C)c1ccncc1 ZINC000266468395 386440122 /nfs/dbraw/zinc/44/01/22/386440122.db2.gz NLXCHMWVOVHDAW-LLVKDONJSA-N 0 3 238.400 3.264 20 0 BGADHN C[C@H](NCCSC(C)(C)C)c1ccncc1 ZINC000266468398 386441025 /nfs/dbraw/zinc/44/10/25/386441025.db2.gz NLXCHMWVOVHDAW-NSHDSACASA-N 0 3 238.400 3.264 20 0 BGADHN CSCCCN(Cc1ccco1)C(C)C ZINC000266510200 386444038 /nfs/dbraw/zinc/44/40/38/386444038.db2.gz DKQWCDFPHWINRI-UHFFFAOYSA-N 0 3 227.373 3.243 20 0 BGADHN COCCN1CC[C@H](C)C[C@H]1c1ccc(C)o1 ZINC000266589644 174313584 /nfs/dbraw/zinc/31/35/84/174313584.db2.gz TYNNYMXLEJEGQD-AAEUAGOBSA-N 0 3 237.343 3.007 20 0 BGADHN COCCN1CC[C@@H](C)C[C@@H]1c1ccc(C)o1 ZINC000266589647 174311712 /nfs/dbraw/zinc/31/17/12/174311712.db2.gz TYNNYMXLEJEGQD-DGCLKSJQSA-N 0 3 237.343 3.007 20 0 BGADHN COCCN1CC[C@H](C)C[C@@H]1c1ccc(C)o1 ZINC000266589649 174312932 /nfs/dbraw/zinc/31/29/32/174312932.db2.gz TYNNYMXLEJEGQD-WCQYABFASA-N 0 3 237.343 3.007 20 0 BGADHN COCCN1CC[C@@H](C)C[C@H]1c1ccc(C)o1 ZINC000266589652 174311835 /nfs/dbraw/zinc/31/18/35/174311835.db2.gz TYNNYMXLEJEGQD-YPMHNXCESA-N 0 3 237.343 3.007 20 0 BGADHN CO[C@@H](CNCc1ccc(Cl)s1)C(C)C ZINC000266605271 386486189 /nfs/dbraw/zinc/48/61/89/386486189.db2.gz GDPDLVOHDBZWBJ-JTQLQIEISA-N 0 3 247.791 3.162 20 0 BGADHN CO[C@H](CNCc1ccc(Cl)s1)C(C)C ZINC000266605272 386484481 /nfs/dbraw/zinc/48/44/81/386484481.db2.gz GDPDLVOHDBZWBJ-SNVBAGLBSA-N 0 3 247.791 3.162 20 0 BGADHN CN(Cc1cc(-c2ccccc2)no1)C1CCC1 ZINC000266608301 386455144 /nfs/dbraw/zinc/45/51/44/386455144.db2.gz VCROXAVBRTUBEM-UHFFFAOYSA-N 0 3 242.322 3.326 20 0 BGADHN CCCCN[C@](C)(CC)c1nc(C)cs1 ZINC000266637079 388996974 /nfs/dbraw/zinc/99/69/74/388996974.db2.gz RWLXWSFEJPMGPX-GFCCVEGCSA-N 0 3 226.389 3.466 20 0 BGADHN CCCCN[C@@](C)(CC)c1nc(C)cs1 ZINC000266637082 388996314 /nfs/dbraw/zinc/99/63/14/388996314.db2.gz RWLXWSFEJPMGPX-LBPRGKRZSA-N 0 3 226.389 3.466 20 0 BGADHN CO[C@@H](CNCc1cc2ccccc2o1)C(C)C ZINC000266649417 388997029 /nfs/dbraw/zinc/99/70/29/388997029.db2.gz XLSVIHATYJZMDI-HNNXBMFYSA-N 0 3 247.338 3.193 20 0 BGADHN CO[C@H](CNCc1cc2ccccc2o1)C(C)C ZINC000266649418 388997271 /nfs/dbraw/zinc/99/72/71/388997271.db2.gz XLSVIHATYJZMDI-OAHLLOKOSA-N 0 3 247.338 3.193 20 0 BGADHN CO[C@H](CN[C@H](C)c1ccccc1F)C(C)C ZINC000266694682 388996936 /nfs/dbraw/zinc/99/69/36/388996936.db2.gz MTPFPTXKHPBLRI-BXUZGUMPSA-N 0 3 239.334 3.147 20 0 BGADHN CO[C@@H](CN[C@@H](C)c1ccccc1F)C(C)C ZINC000266694684 388996354 /nfs/dbraw/zinc/99/63/54/388996354.db2.gz MTPFPTXKHPBLRI-FZMZJTMJSA-N 0 3 239.334 3.147 20 0 BGADHN CO[C@@H](CN[C@H](C)c1ccccc1F)C(C)C ZINC000266694686 388997204 /nfs/dbraw/zinc/99/72/04/388997204.db2.gz MTPFPTXKHPBLRI-RISCZKNCSA-N 0 3 239.334 3.147 20 0 BGADHN CO[C@H](CN[C@@H](C)c1ccccc1F)C(C)C ZINC000266694690 388997192 /nfs/dbraw/zinc/99/71/92/388997192.db2.gz MTPFPTXKHPBLRI-SMDDNHRTSA-N 0 3 239.334 3.147 20 0 BGADHN CO[C@H](CN[C@H](C)c1ccc(F)cc1)C(C)C ZINC000266698579 388997330 /nfs/dbraw/zinc/99/73/30/388997330.db2.gz NNFQTUMZLYWYLS-BXUZGUMPSA-N 0 3 239.334 3.147 20 0 BGADHN CO[C@@H](CN[C@@H](C)c1ccc(F)cc1)C(C)C ZINC000266698581 388996674 /nfs/dbraw/zinc/99/66/74/388996674.db2.gz NNFQTUMZLYWYLS-FZMZJTMJSA-N 0 3 239.334 3.147 20 0 BGADHN CO[C@@H](CN[C@H](C)c1ccc(F)cc1)C(C)C ZINC000266698584 388996383 /nfs/dbraw/zinc/99/63/83/388996383.db2.gz NNFQTUMZLYWYLS-RISCZKNCSA-N 0 3 239.334 3.147 20 0 BGADHN CO[C@H](CN[C@@H](C)c1ccc(F)cc1)C(C)C ZINC000266698586 388997119 /nfs/dbraw/zinc/99/71/19/388997119.db2.gz NNFQTUMZLYWYLS-SMDDNHRTSA-N 0 3 239.334 3.147 20 0 BGADHN CO[C@H](CN[C@H](C)c1cccc(F)c1)C(C)C ZINC000266749186 388996193 /nfs/dbraw/zinc/99/61/93/388996193.db2.gz ZTNRZDBJMBXQFJ-BXUZGUMPSA-N 0 3 239.334 3.147 20 0 BGADHN CO[C@@H](CN[C@@H](C)c1cccc(F)c1)C(C)C ZINC000266749188 388996560 /nfs/dbraw/zinc/99/65/60/388996560.db2.gz ZTNRZDBJMBXQFJ-FZMZJTMJSA-N 0 3 239.334 3.147 20 0 BGADHN CO[C@@H](CN[C@H](C)c1cccc(F)c1)C(C)C ZINC000266749190 388996404 /nfs/dbraw/zinc/99/64/04/388996404.db2.gz ZTNRZDBJMBXQFJ-RISCZKNCSA-N 0 3 239.334 3.147 20 0 BGADHN CO[C@H](CN[C@@H](C)c1cccc(F)c1)C(C)C ZINC000266749192 174868631 /nfs/dbraw/zinc/86/86/31/174868631.db2.gz ZTNRZDBJMBXQFJ-SMDDNHRTSA-N 0 3 239.334 3.147 20 0 BGADHN CCCCN[C@](C)(CC)c1nccs1 ZINC000266752361 388996283 /nfs/dbraw/zinc/99/62/83/388996283.db2.gz QJMGDGXHVSWIOR-LLVKDONJSA-N 0 3 212.362 3.158 20 0 BGADHN CCCCN[C@@](C)(CC)c1nccs1 ZINC000266752364 388996153 /nfs/dbraw/zinc/99/61/53/388996153.db2.gz QJMGDGXHVSWIOR-NSHDSACASA-N 0 3 212.362 3.158 20 0 BGADHN CCO[C@H](CCNCc1occc1C)C(C)C ZINC000266773084 386468739 /nfs/dbraw/zinc/46/87/39/386468739.db2.gz KJDMPSDUJJIODA-CYBMUJFWSA-N 0 3 239.359 3.129 20 0 BGADHN CCO[C@@H](CCNCc1occc1C)C(C)C ZINC000266773086 386467803 /nfs/dbraw/zinc/46/78/03/386467803.db2.gz KJDMPSDUJJIODA-ZDUSSCGKSA-N 0 3 239.359 3.129 20 0 BGADHN Cc1csc(CN(C)C2CCCCC2)n1 ZINC000266847636 386473790 /nfs/dbraw/zinc/47/37/90/386473790.db2.gz BDMYZJHGNPYAPH-UHFFFAOYSA-N 0 3 224.373 3.216 20 0 BGADHN CCC(CC)(CC)NCc1ncc(C)o1 ZINC000266849643 168317943 /nfs/dbraw/zinc/31/79/43/168317943.db2.gz CCXNMBZIGWWLQE-UHFFFAOYSA-N 0 3 210.321 3.041 20 0 BGADHN CCCN(CCC)Cc1nc(C)cs1 ZINC000266901470 169151037 /nfs/dbraw/zinc/15/10/37/169151037.db2.gz XFDHWHRVUWFZCE-UHFFFAOYSA-N 0 3 212.362 3.074 20 0 BGADHN C[C@@H]1CN(Cc2ccc(Cl)nc2)C(C)(C)C1 ZINC000266919190 176303197 /nfs/dbraw/zinc/30/31/97/176303197.db2.gz HRWFKOSKKYUARK-JTQLQIEISA-N 0 3 238.762 3.355 20 0 BGADHN C[C@H]1CN(Cc2ccc(Cl)nc2)C(C)(C)C1 ZINC000266919192 177261613 /nfs/dbraw/zinc/26/16/13/177261613.db2.gz HRWFKOSKKYUARK-SNVBAGLBSA-N 0 3 238.762 3.355 20 0 BGADHN Cc1nc(CN2C[C@H](C)CC2(C)C)cs1 ZINC000266921385 411419488 /nfs/dbraw/zinc/41/94/88/411419488.db2.gz IQJUUUKMYHCJIO-SECBINFHSA-N 0 3 224.373 3.072 20 0 BGADHN Cc1nc(CN2C[C@@H](C)CC2(C)C)cs1 ZINC000266921388 411418968 /nfs/dbraw/zinc/41/89/68/411418968.db2.gz IQJUUUKMYHCJIO-VIFPVBQESA-N 0 3 224.373 3.072 20 0 BGADHN C[C@@H]1CN(Cc2cccnc2Cl)C(C)(C)C1 ZINC000266922436 176307972 /nfs/dbraw/zinc/30/79/72/176307972.db2.gz JAUYOFABUIOVPT-JTQLQIEISA-N 0 3 238.762 3.355 20 0 BGADHN C[C@H]1CN(Cc2cccnc2Cl)C(C)(C)C1 ZINC000266922440 177267672 /nfs/dbraw/zinc/26/76/72/177267672.db2.gz JAUYOFABUIOVPT-SNVBAGLBSA-N 0 3 238.762 3.355 20 0 BGADHN C[C@@H]1CN(Cc2cccc(Cl)n2)C(C)(C)C1 ZINC000266937603 176306424 /nfs/dbraw/zinc/30/64/24/176306424.db2.gz OYBBDKCKCKBEMK-JTQLQIEISA-N 0 3 238.762 3.355 20 0 BGADHN C[C@H]1CN(Cc2cccc(Cl)n2)C(C)(C)C1 ZINC000266937606 177264882 /nfs/dbraw/zinc/26/48/82/177264882.db2.gz OYBBDKCKCKBEMK-SNVBAGLBSA-N 0 3 238.762 3.355 20 0 BGADHN C[C@@H]1CN(Cc2ccnc(Cl)c2)C(C)(C)C1 ZINC000266962082 176309641 /nfs/dbraw/zinc/30/96/41/176309641.db2.gz XUDYCAMQCZQVSV-JTQLQIEISA-N 0 3 238.762 3.355 20 0 BGADHN C[C@H]1CN(Cc2ccnc(Cl)c2)C(C)(C)C1 ZINC000266962083 177267786 /nfs/dbraw/zinc/26/77/86/177267786.db2.gz XUDYCAMQCZQVSV-SNVBAGLBSA-N 0 3 238.762 3.355 20 0 BGADHN Cc1ccoc1CNCCCNc1ccccc1 ZINC000267009912 386486176 /nfs/dbraw/zinc/48/61/76/386486176.db2.gz GDWRHUMFECMROI-UHFFFAOYSA-N 0 3 244.338 3.180 20 0 BGADHN CC(C)(CCc1ccccc1)NCc1ccno1 ZINC000267016728 386486587 /nfs/dbraw/zinc/48/65/87/386486587.db2.gz AFOAJEMANZIAFO-UHFFFAOYSA-N 0 3 244.338 3.176 20 0 BGADHN CSc1ccc(CNCc2ccn(C)c2)cc1 ZINC000267028287 135151296 /nfs/dbraw/zinc/15/12/96/135151296.db2.gz AHUKIFJCLZXLFL-UHFFFAOYSA-N 0 3 246.379 3.037 20 0 BGADHN CCC(CC)NCc1csc([C@@H](C)OC)n1 ZINC000267038627 168390070 /nfs/dbraw/zinc/39/00/70/168390070.db2.gz YCWSGTBGGGQDPH-SECBINFHSA-N 0 3 242.388 3.129 20 0 BGADHN CCC(CC)NCc1csc([C@H](C)OC)n1 ZINC000267038629 168390181 /nfs/dbraw/zinc/39/01/81/168390181.db2.gz YCWSGTBGGGQDPH-VIFPVBQESA-N 0 3 242.388 3.129 20 0 BGADHN Cc1cc(C)c(CNCc2ccn(C)c2)c(C)c1 ZINC000267090047 386495184 /nfs/dbraw/zinc/49/51/84/386495184.db2.gz MMMIVZXJCCMTHU-UHFFFAOYSA-N 0 3 242.366 3.240 20 0 BGADHN Cc1cc(C)c(CNCc2ccn(C)c2)cc1C ZINC000267110554 386497014 /nfs/dbraw/zinc/49/70/14/386497014.db2.gz RCXCUVYPZYSYDT-UHFFFAOYSA-N 0 3 242.366 3.240 20 0 BGADHN CC[C@H](NCc1ccn(C)c1)c1ccc(F)cc1 ZINC000267140499 386500909 /nfs/dbraw/zinc/50/09/09/386500909.db2.gz XRARVORHNGTDKG-HNNXBMFYSA-N 0 3 246.329 3.405 20 0 BGADHN CC[C@@H](NCc1ccn(C)c1)c1ccc(F)cc1 ZINC000267140501 351301533 /nfs/dbraw/zinc/30/15/33/351301533.db2.gz XRARVORHNGTDKG-OAHLLOKOSA-N 0 3 246.329 3.405 20 0 BGADHN C/C(=C\c1ccccc1)CNCc1ccn(C)c1 ZINC000267146536 386499916 /nfs/dbraw/zinc/49/99/16/386499916.db2.gz YZARBNIZBHORSE-GXDHUFHOSA-N 0 3 240.350 3.218 20 0 BGADHN CCCCC(=O)Nc1cc(CN(C)C)ccc1C ZINC000267160394 386502917 /nfs/dbraw/zinc/50/29/17/386502917.db2.gz QDJHCJNTPNJLOK-UHFFFAOYSA-N 0 3 248.370 3.185 20 0 BGADHN CO[C@H](C)CCN[C@H](C)c1ccccc1Cl ZINC000267266644 388999601 /nfs/dbraw/zinc/99/96/01/388999601.db2.gz RHVHXNHFHTWASJ-GHMZBOCLSA-N 0 3 241.762 3.416 20 0 BGADHN CO[C@H](C)CCN[C@@H](C)c1ccccc1Cl ZINC000267266647 388999364 /nfs/dbraw/zinc/99/93/64/388999364.db2.gz RHVHXNHFHTWASJ-MNOVXSKESA-N 0 3 241.762 3.416 20 0 BGADHN CO[C@@H](C)CCN[C@@H](C)c1ccccc1Cl ZINC000267266651 388999187 /nfs/dbraw/zinc/99/91/87/388999187.db2.gz RHVHXNHFHTWASJ-QWRGUYRKSA-N 0 3 241.762 3.416 20 0 BGADHN CO[C@@H](C)CCN[C@H](C)c1ccccc1Cl ZINC000267266653 387007888 /nfs/dbraw/zinc/00/78/88/387007888.db2.gz RHVHXNHFHTWASJ-WDEREUQCSA-N 0 3 241.762 3.416 20 0 BGADHN C[C@@H]1CN(C[C@H]2CCCCO2)[C@@H]1c1ccccc1 ZINC000267351721 176300767 /nfs/dbraw/zinc/30/07/67/176300767.db2.gz NWOBRAWFMUARDW-BMFZPTHFSA-N 0 3 245.366 3.249 20 0 BGADHN C[C@@H]1CN(C[C@H]2CCCCO2)[C@H]1c1ccccc1 ZINC000267351725 176300214 /nfs/dbraw/zinc/30/02/14/176300214.db2.gz NWOBRAWFMUARDW-FVQBIDKESA-N 0 3 245.366 3.249 20 0 BGADHN C[C@@H]1CN(C[C@@H]2CCCCO2)[C@@H]1c1ccccc1 ZINC000267351727 176297035 /nfs/dbraw/zinc/29/70/35/176297035.db2.gz NWOBRAWFMUARDW-KBMXLJTQSA-N 0 3 245.366 3.249 20 0 BGADHN C[C@@H]1CN(C[C@@H]2CCCCO2)[C@H]1c1ccccc1 ZINC000267351731 176297752 /nfs/dbraw/zinc/29/77/52/176297752.db2.gz NWOBRAWFMUARDW-VNQPRFMTSA-N 0 3 245.366 3.249 20 0 BGADHN C[C@H](c1ccccn1)N(C)CC(C)(C)C ZINC000267358341 177042576 /nfs/dbraw/zinc/04/25/76/177042576.db2.gz HOBGUVRBFCASGV-LLVKDONJSA-N 0 3 206.333 3.121 20 0 BGADHN C[C@@H](c1ccccn1)N(C)CC(C)(C)C ZINC000267358342 176026914 /nfs/dbraw/zinc/02/69/14/176026914.db2.gz HOBGUVRBFCASGV-NSHDSACASA-N 0 3 206.333 3.121 20 0 BGADHN CCC1CCN([C@H](C)c2ccccn2)CC1 ZINC000267404699 386538057 /nfs/dbraw/zinc/53/80/57/386538057.db2.gz QJJOICBIOPAJPA-GFCCVEGCSA-N 0 3 218.344 3.265 20 0 BGADHN CCC1CCN([C@@H](C)c2ccccn2)CC1 ZINC000267404701 168529005 /nfs/dbraw/zinc/52/90/05/168529005.db2.gz QJJOICBIOPAJPA-LBPRGKRZSA-N 0 3 218.344 3.265 20 0 BGADHN CCn1cccc1CN(C)CCc1cccs1 ZINC000267412687 172203931 /nfs/dbraw/zinc/20/39/31/172203931.db2.gz KWBFTDBLDYNOCP-UHFFFAOYSA-N 0 3 248.395 3.244 20 0 BGADHN CN(CCC(C)(C)O)Cc1cc2ccccc2o1 ZINC000267420014 386541469 /nfs/dbraw/zinc/54/14/69/386541469.db2.gz MCCWZAUGEWMLMO-UHFFFAOYSA-N 0 3 247.338 3.026 20 0 BGADHN C[C@@H]1[C@@H](c2ccccc2)CCN1Cc1ccno1 ZINC000267562724 386554907 /nfs/dbraw/zinc/55/49/07/386554907.db2.gz BGFRUSVKBIKWAY-DOMZBBRYSA-N 0 3 242.322 3.053 20 0 BGADHN C[C@@H]1[C@H](c2ccccc2)CCN1Cc1ccno1 ZINC000267562726 386553279 /nfs/dbraw/zinc/55/32/79/386553279.db2.gz BGFRUSVKBIKWAY-IUODEOHRSA-N 0 3 242.322 3.053 20 0 BGADHN C[C@H]1[C@H](c2ccccc2)CCN1Cc1ccno1 ZINC000267562727 386553915 /nfs/dbraw/zinc/55/39/15/386553915.db2.gz BGFRUSVKBIKWAY-SWLSCSKDSA-N 0 3 242.322 3.053 20 0 BGADHN C[C@H]1[C@@H](c2ccccc2)CCN1Cc1ccno1 ZINC000267562729 386553995 /nfs/dbraw/zinc/55/39/95/386553995.db2.gz BGFRUSVKBIKWAY-WFASDCNBSA-N 0 3 242.322 3.053 20 0 BGADHN CO[C@H]1CCN([C@@H](C)c2ccc(Cl)cc2)C1 ZINC000267622385 386562031 /nfs/dbraw/zinc/56/20/31/386562031.db2.gz DTWUKHOSIVPOOR-GWCFXTLKSA-N 0 3 239.746 3.122 20 0 BGADHN CO[C@H]1CCN([C@H](C)c2ccc(Cl)cc2)C1 ZINC000267622388 386561960 /nfs/dbraw/zinc/56/19/60/386561960.db2.gz DTWUKHOSIVPOOR-MFKMUULPSA-N 0 3 239.746 3.122 20 0 BGADHN CO[C@H]1CCN(Cc2csc3ccccc23)C1 ZINC000267628807 386563581 /nfs/dbraw/zinc/56/35/81/386563581.db2.gz GHWUZHSFVJCDTN-LBPRGKRZSA-N 0 3 247.363 3.122 20 0 BGADHN Cc1cc([C@@H](C)NCc2cccn2C)ccc1F ZINC000267660663 178229471 /nfs/dbraw/zinc/22/94/71/178229471.db2.gz ZMEZIXFRGQJHBY-GFCCVEGCSA-N 0 3 246.329 3.323 20 0 BGADHN CO[C@H]1CCN([C@@H](C)c2cccc(Cl)c2)C1 ZINC000267670397 174891141 /nfs/dbraw/zinc/89/11/41/174891141.db2.gz OMARYTYTJMWCEX-GWCFXTLKSA-N 0 3 239.746 3.122 20 0 BGADHN CO[C@H]1CCN([C@H](C)c2cccc(Cl)c2)C1 ZINC000267670400 386570918 /nfs/dbraw/zinc/57/09/18/386570918.db2.gz OMARYTYTJMWCEX-MFKMUULPSA-N 0 3 239.746 3.122 20 0 BGADHN CO[C@H]1CCN([C@H](C)c2ccccc2Cl)C1 ZINC000267713734 386575596 /nfs/dbraw/zinc/57/55/96/386575596.db2.gz XFAKHKJOGFYZNW-MNOVXSKESA-N 0 3 239.746 3.122 20 0 BGADHN CO[C@H]1CCN([C@@H](C)c2ccccc2Cl)C1 ZINC000267713735 386576033 /nfs/dbraw/zinc/57/60/33/386576033.db2.gz XFAKHKJOGFYZNW-QWRGUYRKSA-N 0 3 239.746 3.122 20 0 BGADHN CO[C@H]1CCN(Cc2ccc3ccccc3c2)C1 ZINC000267728655 386579432 /nfs/dbraw/zinc/57/94/32/386579432.db2.gz ZVPWAZJPXMFIHL-INIZCTEOSA-N 0 3 241.334 3.061 20 0 BGADHN CCCCCN(CC)Cc1ccncc1 ZINC000267866613 386592124 /nfs/dbraw/zinc/59/21/24/386592124.db2.gz KEXBJRZVYFDMQI-UHFFFAOYSA-N 0 3 206.333 3.094 20 0 BGADHN CCCCN(CCCC)Cc1ccno1 ZINC000267885649 386596252 /nfs/dbraw/zinc/59/62/52/386596252.db2.gz RPWBBAPHRSNBRK-UHFFFAOYSA-N 0 3 210.321 3.077 20 0 BGADHN Cc1ccc2c(c1)CC[C@@H]2NCc1cc[nH]c1 ZINC000267918626 386597976 /nfs/dbraw/zinc/59/79/76/386597976.db2.gz HYIOMHBMKFUTNV-HNNXBMFYSA-N 0 3 226.323 3.100 20 0 BGADHN Cc1ccc2c(c1)CC[C@H]2NCc1cc[nH]c1 ZINC000267918631 386597670 /nfs/dbraw/zinc/59/76/70/386597670.db2.gz HYIOMHBMKFUTNV-OAHLLOKOSA-N 0 3 226.323 3.100 20 0 BGADHN Cc1cc([C@@H](C)NCc2cc[nH]c2)ccc1F ZINC000267921317 178228294 /nfs/dbraw/zinc/22/82/94/178228294.db2.gz IYZQXNTYCAZGMS-LLVKDONJSA-N 0 3 232.302 3.313 20 0 BGADHN CCCN(Cc1nc(C)cs1)CC(C)C ZINC000267998384 169181105 /nfs/dbraw/zinc/18/11/05/169181105.db2.gz CGFYTLMAJJYWAB-UHFFFAOYSA-N 0 3 226.389 3.320 20 0 BGADHN Cc1csc(CN2CCC[C@@H]2C(C)C)n1 ZINC000268026118 386610439 /nfs/dbraw/zinc/61/04/39/386610439.db2.gz KTGFZEDFHDSPDN-LLVKDONJSA-N 0 3 224.373 3.072 20 0 BGADHN Cc1csc(CN2CCC[C@H]2C(C)C)n1 ZINC000268026119 179772053 /nfs/dbraw/zinc/77/20/53/179772053.db2.gz KTGFZEDFHDSPDN-NSHDSACASA-N 0 3 224.373 3.072 20 0 BGADHN CCC1(CC)CCN(Cc2cccnc2)C1 ZINC000268046474 386614266 /nfs/dbraw/zinc/61/42/66/386614266.db2.gz SDRBASJGPJZLRS-UHFFFAOYSA-N 0 3 218.344 3.094 20 0 BGADHN COCC[C@@H](C)N(C)Cc1ccc(Cl)s1 ZINC000268049146 538916162 /nfs/dbraw/zinc/91/61/62/538916162.db2.gz ZFEWNECHAUQAON-SECBINFHSA-N 0 3 247.791 3.258 20 0 BGADHN COCC[C@H](C)N(C)Cc1ccc(Cl)s1 ZINC000268049148 538916388 /nfs/dbraw/zinc/91/63/88/538916388.db2.gz ZFEWNECHAUQAON-VIFPVBQESA-N 0 3 247.791 3.258 20 0 BGADHN Cc1nc(CN(C)[C@@H](C)C(C)C)sc1C ZINC000268050058 386612142 /nfs/dbraw/zinc/61/21/42/386612142.db2.gz UQVMAGFKQDJKKH-JTQLQIEISA-N 0 3 226.389 3.236 20 0 BGADHN Cc1nc(CN(C)[C@H](C)C(C)C)sc1C ZINC000268050059 386612943 /nfs/dbraw/zinc/61/29/43/386612943.db2.gz UQVMAGFKQDJKKH-SNVBAGLBSA-N 0 3 226.389 3.236 20 0 BGADHN CCC1(CC)CCN(Cc2ccccn2)C1 ZINC000268052479 386613806 /nfs/dbraw/zinc/61/38/06/386613806.db2.gz WFWXIWLJYOVNCW-UHFFFAOYSA-N 0 3 218.344 3.094 20 0 BGADHN Cc1csc(CN2C[C@H](C)CC2(C)C)n1 ZINC000268065891 386616515 /nfs/dbraw/zinc/61/65/15/386616515.db2.gz AQYJSVHTSSXJSU-SECBINFHSA-N 0 3 224.373 3.072 20 0 BGADHN Cc1csc(CN2C[C@@H](C)CC2(C)C)n1 ZINC000268065892 386616733 /nfs/dbraw/zinc/61/67/33/386616733.db2.gz AQYJSVHTSSXJSU-VIFPVBQESA-N 0 3 224.373 3.072 20 0 BGADHN C[C@H](c1cccnc1)N1CCC2(CCC2)C1 ZINC000268232869 177044706 /nfs/dbraw/zinc/04/47/06/177044706.db2.gz PCIVIJQVRXBSCL-GFCCVEGCSA-N 0 3 216.328 3.019 20 0 BGADHN C[C@@H](c1cccnc1)N1CCC2(CCC2)C1 ZINC000268232872 176028981 /nfs/dbraw/zinc/02/89/81/176028981.db2.gz PCIVIJQVRXBSCL-LBPRGKRZSA-N 0 3 216.328 3.019 20 0 BGADHN CC(C)=CCN1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000268294409 188196767 /nfs/dbraw/zinc/19/67/67/188196767.db2.gz SKNQQWITXLZJQX-KBPBESRZSA-N 0 3 249.354 3.134 20 0 BGADHN CC(C)=CCN1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000268294411 386638997 /nfs/dbraw/zinc/63/89/97/386638997.db2.gz SKNQQWITXLZJQX-KGLIPLIRSA-N 0 3 249.354 3.134 20 0 BGADHN CC(C)=CCN1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000268294413 386640557 /nfs/dbraw/zinc/64/05/57/386640557.db2.gz SKNQQWITXLZJQX-UONOGXRCSA-N 0 3 249.354 3.134 20 0 BGADHN CC(C)=CCN1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000268294414 386638795 /nfs/dbraw/zinc/63/87/95/386638795.db2.gz SKNQQWITXLZJQX-ZIAGYGMSSA-N 0 3 249.354 3.134 20 0 BGADHN CC[C@@H](NCCF)c1ccc(Cl)cc1 ZINC000268325047 389001993 /nfs/dbraw/zinc/00/19/93/389001993.db2.gz VIKDBEQNMCJCGU-LLVKDONJSA-N 0 3 215.699 3.350 20 0 BGADHN CC[C@H](NCCF)c1ccc(Cl)cc1 ZINC000268325048 389001935 /nfs/dbraw/zinc/00/19/35/389001935.db2.gz VIKDBEQNMCJCGU-NSHDSACASA-N 0 3 215.699 3.350 20 0 BGADHN CC[C@H]1CCC[C@H]1NCc1cn2ccccc2n1 ZINC000268330787 398137622 /nfs/dbraw/zinc/13/76/22/398137622.db2.gz NLQILKZNQBLASR-GXTWGEPZSA-N 0 3 243.354 3.003 20 0 BGADHN CC[C@H]1CCC[C@@H]1NCc1cn2ccccc2n1 ZINC000268330790 398137381 /nfs/dbraw/zinc/13/73/81/398137381.db2.gz NLQILKZNQBLASR-JSGCOSHPSA-N 0 3 243.354 3.003 20 0 BGADHN CC[C@@H]1CCC[C@@H]1NCc1cn2ccccc2n1 ZINC000268330793 398137467 /nfs/dbraw/zinc/13/74/67/398137467.db2.gz NLQILKZNQBLASR-OCCSQVGLSA-N 0 3 243.354 3.003 20 0 BGADHN CC[C@@H]1CCC[C@H]1NCc1cn2ccccc2n1 ZINC000268330795 171000488 /nfs/dbraw/zinc/00/04/88/171000488.db2.gz NLQILKZNQBLASR-TZMCWYRMSA-N 0 3 243.354 3.003 20 0 BGADHN FCCN[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000268333503 398137514 /nfs/dbraw/zinc/13/75/14/398137514.db2.gz YEYBJYNLKZGNEI-GFCCVEGCSA-N 0 3 227.710 3.350 20 0 BGADHN FCCN[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000268333504 398137445 /nfs/dbraw/zinc/13/74/45/398137445.db2.gz YEYBJYNLKZGNEI-LBPRGKRZSA-N 0 3 227.710 3.350 20 0 BGADHN CCN1CCC(=Cc2cccc(OC)c2)CC1 ZINC000268511824 351336663 /nfs/dbraw/zinc/33/66/63/351336663.db2.gz UVJVWGMVZJWPOI-UHFFFAOYSA-N 0 3 231.339 3.194 20 0 BGADHN Cc1cc2cc([C@@H](C)NCCCO)oc2cc1C ZINC000268710192 178296552 /nfs/dbraw/zinc/29/65/52/178296552.db2.gz JWWRIMAQHWKJPW-GFCCVEGCSA-N 0 3 247.338 3.083 20 0 BGADHN Cc1cc2cc([C@H](C)NCCCO)oc2cc1C ZINC000268710195 178295898 /nfs/dbraw/zinc/29/58/98/178295898.db2.gz JWWRIMAQHWKJPW-LBPRGKRZSA-N 0 3 247.338 3.083 20 0 BGADHN C[C@@H](NCCO)c1ccc(-c2cccs2)cc1 ZINC000268712619 487622442 /nfs/dbraw/zinc/62/24/42/487622442.db2.gz FFMYMYOZLFRERW-LLVKDONJSA-N 0 3 247.363 3.058 20 0 BGADHN C[C@H](NCCO)c1ccc(-c2cccs2)cc1 ZINC000268712620 487622610 /nfs/dbraw/zinc/62/26/10/487622610.db2.gz FFMYMYOZLFRERW-NSHDSACASA-N 0 3 247.363 3.058 20 0 BGADHN Cc1ccccc1[C@@H](C)NCCOC1CCC1 ZINC000268728958 179321467 /nfs/dbraw/zinc/32/14/67/179321467.db2.gz LIAJQWLVQOWBPG-CYBMUJFWSA-N 0 3 233.355 3.215 20 0 BGADHN Cc1ccccc1[C@H](C)NCCOC1CCC1 ZINC000268728960 179336977 /nfs/dbraw/zinc/33/69/77/179336977.db2.gz LIAJQWLVQOWBPG-ZDUSSCGKSA-N 0 3 233.355 3.215 20 0 BGADHN COCc1ccc(CNCCC2CCCC2)o1 ZINC000268764832 389003015 /nfs/dbraw/zinc/00/30/15/389003015.db2.gz BGMHQCHRGFDWFW-UHFFFAOYSA-N 0 3 237.343 3.096 20 0 BGADHN COCc1ccc(CNCC2CCCCC2)o1 ZINC000268795766 174625041 /nfs/dbraw/zinc/62/50/41/174625041.db2.gz NTWICISHQNXIHQ-UHFFFAOYSA-N 0 3 237.343 3.096 20 0 BGADHN CC[C@@H](NCc1sccc1C)c1cnn(C)c1 ZINC000268797863 351340481 /nfs/dbraw/zinc/34/04/81/351340481.db2.gz JCIIIGOLCOAXLA-GFCCVEGCSA-N 0 3 249.383 3.031 20 0 BGADHN CC[C@H](NCc1sccc1C)c1cnn(C)c1 ZINC000268797865 386693871 /nfs/dbraw/zinc/69/38/71/386693871.db2.gz JCIIIGOLCOAXLA-LBPRGKRZSA-N 0 3 249.383 3.031 20 0 BGADHN COCc1ccc(CNC2(C)CCCCC2)o1 ZINC000268798431 389004356 /nfs/dbraw/zinc/00/43/56/389004356.db2.gz PDKLLQNXRUSLDP-UHFFFAOYSA-N 0 3 237.343 3.238 20 0 BGADHN COCc1ccc(CN[C@H]2CC[C@H](C)CC2)o1 ZINC000268801205 326189286 /nfs/dbraw/zinc/18/92/86/326189286.db2.gz PYYFGCZBPICTQS-HAQNSBGRSA-N 0 3 237.343 3.094 20 0 BGADHN Cc1cc2cc([C@H](C)N[C@H](C)CO)oc2cc1C ZINC000268804338 178296541 /nfs/dbraw/zinc/29/65/41/178296541.db2.gz CBEORQUJFOGLIE-NEPJUHHUSA-N 0 3 247.338 3.081 20 0 BGADHN Cc1cc2cc([C@@H](C)N[C@H](C)CO)oc2cc1C ZINC000268804341 178295617 /nfs/dbraw/zinc/29/56/17/178295617.db2.gz CBEORQUJFOGLIE-VXGBXAGGSA-N 0 3 247.338 3.081 20 0 BGADHN C[C@@H](NCC(C)(C)C)c1cccnc1Cl ZINC000268810376 175863928 /nfs/dbraw/zinc/86/39/28/175863928.db2.gz NQSZROCUOYAJRN-SECBINFHSA-N 0 3 226.751 3.432 20 0 BGADHN C[C@H](NCC(C)(C)C)c1cccnc1Cl ZINC000268810377 387417648 /nfs/dbraw/zinc/41/76/48/387417648.db2.gz NQSZROCUOYAJRN-VIFPVBQESA-N 0 3 226.751 3.432 20 0 BGADHN CO[C@H](C)CCN[C@H](C)c1ccc(F)cc1F ZINC000268819450 386666995 /nfs/dbraw/zinc/66/69/95/386666995.db2.gz GKZVNDKAQGWDBF-NXEZZACHSA-N 0 3 243.297 3.040 20 0 BGADHN CO[C@@H](C)CCN[C@@H](C)c1ccc(F)cc1F ZINC000268819452 386666498 /nfs/dbraw/zinc/66/64/98/386666498.db2.gz GKZVNDKAQGWDBF-UWVGGRQHSA-N 0 3 243.297 3.040 20 0 BGADHN CO[C@@H](C)CCN[C@H](C)c1ccc(F)cc1F ZINC000268819454 386667329 /nfs/dbraw/zinc/66/73/29/386667329.db2.gz GKZVNDKAQGWDBF-VHSXEESVSA-N 0 3 243.297 3.040 20 0 BGADHN CO[C@H](C)CCN[C@@H](C)c1ccc(F)cc1F ZINC000268819456 386668105 /nfs/dbraw/zinc/66/81/05/386668105.db2.gz GKZVNDKAQGWDBF-ZJUUUORDSA-N 0 3 243.297 3.040 20 0 BGADHN COCc1ccc(CN[C@H](C)C2CCCC2)o1 ZINC000268826295 389004450 /nfs/dbraw/zinc/00/44/50/389004450.db2.gz ZCWTWUDPOSLRCO-LLVKDONJSA-N 0 3 237.343 3.094 20 0 BGADHN COCc1ccc(CN[C@@H](C)C2CCCC2)o1 ZINC000268826298 389004533 /nfs/dbraw/zinc/00/45/33/389004533.db2.gz ZCWTWUDPOSLRCO-NSHDSACASA-N 0 3 237.343 3.094 20 0 BGADHN Cc1ccn2cc(CN[C@H](C)C(C)(C)C)nc2c1 ZINC000268826845 386700700 /nfs/dbraw/zinc/70/07/00/386700700.db2.gz BEJJETCNNLYVRI-GFCCVEGCSA-N 0 3 245.370 3.167 20 0 BGADHN Cc1ccn2cc(CN[C@@H](C)C(C)(C)C)nc2c1 ZINC000268826846 386702590 /nfs/dbraw/zinc/70/25/90/386702590.db2.gz BEJJETCNNLYVRI-LBPRGKRZSA-N 0 3 245.370 3.167 20 0 BGADHN CO[C@H](C)CCN[C@H](C)c1cc(F)ccc1F ZINC000268832210 389004435 /nfs/dbraw/zinc/00/44/35/389004435.db2.gz KIDGGIORGLSJCI-NXEZZACHSA-N 0 3 243.297 3.040 20 0 BGADHN CO[C@@H](C)CCN[C@@H](C)c1cc(F)ccc1F ZINC000268832212 389004171 /nfs/dbraw/zinc/00/41/71/389004171.db2.gz KIDGGIORGLSJCI-UWVGGRQHSA-N 0 3 243.297 3.040 20 0 BGADHN CO[C@@H](C)CCN[C@H](C)c1cc(F)ccc1F ZINC000268832214 389004493 /nfs/dbraw/zinc/00/44/93/389004493.db2.gz KIDGGIORGLSJCI-VHSXEESVSA-N 0 3 243.297 3.040 20 0 BGADHN CO[C@H](C)CCN[C@@H](C)c1cc(F)ccc1F ZINC000268832216 389004405 /nfs/dbraw/zinc/00/44/05/389004405.db2.gz KIDGGIORGLSJCI-ZJUUUORDSA-N 0 3 243.297 3.040 20 0 BGADHN CC(C)N(CCCF)Cc1ccccc1F ZINC000268846720 188024453 /nfs/dbraw/zinc/02/44/53/188024453.db2.gz AWJYTHBGAHTAJC-UHFFFAOYSA-N 0 3 227.298 3.396 20 0 BGADHN CCC[C@@](C)(O)CN[C@H](C)c1ccc(CC)o1 ZINC000268858153 386707323 /nfs/dbraw/zinc/70/73/23/386707323.db2.gz FGPZCJKRTLRNIR-BXUZGUMPSA-N 0 3 239.359 3.044 20 0 BGADHN CCC[C@](C)(O)CN[C@@H](C)c1ccc(CC)o1 ZINC000268858154 386707544 /nfs/dbraw/zinc/70/75/44/386707544.db2.gz FGPZCJKRTLRNIR-FZMZJTMJSA-N 0 3 239.359 3.044 20 0 BGADHN CCC[C@](C)(O)CN[C@H](C)c1ccc(CC)o1 ZINC000268858156 386707405 /nfs/dbraw/zinc/70/74/05/386707405.db2.gz FGPZCJKRTLRNIR-RISCZKNCSA-N 0 3 239.359 3.044 20 0 BGADHN CCC[C@@](C)(O)CN[C@@H](C)c1ccc(CC)o1 ZINC000268858158 386708111 /nfs/dbraw/zinc/70/81/11/386708111.db2.gz FGPZCJKRTLRNIR-SMDDNHRTSA-N 0 3 239.359 3.044 20 0 BGADHN CN(CCCF)Cc1ccc(Cl)s1 ZINC000268866714 386676344 /nfs/dbraw/zinc/67/63/44/386676344.db2.gz HIHWDZDKJVXCDS-UHFFFAOYSA-N 0 3 221.728 3.193 20 0 BGADHN CN(CCCF)CCOc1ccccc1Cl ZINC000268872663 386710559 /nfs/dbraw/zinc/71/05/59/386710559.db2.gz JJLCVLDXLAWOJP-UHFFFAOYSA-N 0 3 245.725 3.010 20 0 BGADHN CCc1ccc([C@@H](C)NCC(O)(CC)CC)o1 ZINC000268883487 386712610 /nfs/dbraw/zinc/71/26/10/386712610.db2.gz FTCHDQYKDNDVRS-LLVKDONJSA-N 0 3 239.359 3.044 20 0 BGADHN CCc1ccc([C@H](C)NCC(O)(CC)CC)o1 ZINC000268883490 386714224 /nfs/dbraw/zinc/71/42/24/386714224.db2.gz FTCHDQYKDNDVRS-NSHDSACASA-N 0 3 239.359 3.044 20 0 BGADHN CC[C@H](N[C@@H]1CCOC1)c1ccc(Cl)s1 ZINC000268885993 389006080 /nfs/dbraw/zinc/00/60/80/389006080.db2.gz MUTHIAIOEGBCNP-BDAKNGLRSA-N 0 3 245.775 3.231 20 0 BGADHN CC[C@@H](N[C@@H]1CCOC1)c1ccc(Cl)s1 ZINC000268886000 364732892 /nfs/dbraw/zinc/73/28/92/364732892.db2.gz MUTHIAIOEGBCNP-RKDXNWHRSA-N 0 3 245.775 3.231 20 0 BGADHN Cc1ccc2c(c1)CC[C@@H]2NCc1ccn(C)c1 ZINC000268888483 188197879 /nfs/dbraw/zinc/19/78/79/188197879.db2.gz CMOWWUKLKGSQTE-INIZCTEOSA-N 0 3 240.350 3.111 20 0 BGADHN Cc1ccc2c(c1)CC[C@H]2NCc1ccn(C)c1 ZINC000268888487 188374518 /nfs/dbraw/zinc/37/45/18/188374518.db2.gz CMOWWUKLKGSQTE-MRXNPFEDSA-N 0 3 240.350 3.111 20 0 BGADHN CO[C@@H](C)[C@@H](C)NCc1oc2ccccc2c1C ZINC000268888567 386713719 /nfs/dbraw/zinc/71/37/19/386713719.db2.gz JJXWKPKKHBRXCX-NEPJUHHUSA-N 0 3 247.338 3.254 20 0 BGADHN CO[C@H](C)[C@H](C)NCc1oc2ccccc2c1C ZINC000268888570 386712580 /nfs/dbraw/zinc/71/25/80/386712580.db2.gz JJXWKPKKHBRXCX-NWDGAFQWSA-N 0 3 247.338 3.254 20 0 BGADHN CO[C@@H](C)[C@H](C)NCc1oc2ccccc2c1C ZINC000268888573 386713068 /nfs/dbraw/zinc/71/30/68/386713068.db2.gz JJXWKPKKHBRXCX-RYUDHWBXSA-N 0 3 247.338 3.254 20 0 BGADHN CO[C@H](C)[C@@H](C)NCc1oc2ccccc2c1C ZINC000268888576 386713363 /nfs/dbraw/zinc/71/33/63/386713363.db2.gz JJXWKPKKHBRXCX-VXGBXAGGSA-N 0 3 247.338 3.254 20 0 BGADHN CC1(C)CCCN1Cc1cccc2nsnc21 ZINC000268904686 351342848 /nfs/dbraw/zinc/34/28/48/351342848.db2.gz LUDQGRXKKXPTQH-UHFFFAOYSA-N 0 3 247.367 3.066 20 0 BGADHN CO[C@H](CN[C@@H](C)c1ccsc1)C(C)C ZINC000268905181 389005492 /nfs/dbraw/zinc/00/54/92/389005492.db2.gz GNECGOCOXDXODE-CMPLNLGQSA-N 0 3 227.373 3.070 20 0 BGADHN CO[C@@H](CN[C@@H](C)c1ccsc1)C(C)C ZINC000268905182 389006158 /nfs/dbraw/zinc/00/61/58/389006158.db2.gz GNECGOCOXDXODE-JQWIXIFHSA-N 0 3 227.373 3.070 20 0 BGADHN CO[C@@H](CN[C@H](C)c1ccsc1)C(C)C ZINC000268905185 389006016 /nfs/dbraw/zinc/00/60/16/389006016.db2.gz GNECGOCOXDXODE-PWSUYJOCSA-N 0 3 227.373 3.070 20 0 BGADHN CO[C@H](CN[C@H](C)c1ccsc1)C(C)C ZINC000268905187 389006068 /nfs/dbraw/zinc/00/60/68/389006068.db2.gz GNECGOCOXDXODE-ZYHUDNBSSA-N 0 3 227.373 3.070 20 0 BGADHN Cc1ccc([C@@H](C)NCCC2CCOCC2)o1 ZINC000268917693 386682236 /nfs/dbraw/zinc/68/22/36/386682236.db2.gz VPAIEJSZQNETBP-GFCCVEGCSA-N 0 3 237.343 3.055 20 0 BGADHN Cc1ccc([C@H](C)NCCC2CCOCC2)o1 ZINC000268917695 386681545 /nfs/dbraw/zinc/68/15/45/386681545.db2.gz VPAIEJSZQNETBP-LBPRGKRZSA-N 0 3 237.343 3.055 20 0 BGADHN CCc1ccc([C@@H](C)NC[C@@H](OC)C(C)C)o1 ZINC000268920772 386720968 /nfs/dbraw/zinc/72/09/68/386720968.db2.gz KCSKWPINXZQNNJ-BXUZGUMPSA-N 0 3 239.359 3.164 20 0 BGADHN CCc1ccc([C@H](C)NC[C@H](OC)C(C)C)o1 ZINC000268920774 386719823 /nfs/dbraw/zinc/71/98/23/386719823.db2.gz KCSKWPINXZQNNJ-FZMZJTMJSA-N 0 3 239.359 3.164 20 0 BGADHN CCc1ccc([C@@H](C)NC[C@H](OC)C(C)C)o1 ZINC000268920775 386720307 /nfs/dbraw/zinc/72/03/07/386720307.db2.gz KCSKWPINXZQNNJ-RISCZKNCSA-N 0 3 239.359 3.164 20 0 BGADHN CCc1ccc([C@H](C)NC[C@@H](OC)C(C)C)o1 ZINC000268920778 386721481 /nfs/dbraw/zinc/72/14/81/386721481.db2.gz KCSKWPINXZQNNJ-SMDDNHRTSA-N 0 3 239.359 3.164 20 0 BGADHN Cc1cc([C@@H](C)NCc2ccn(C)c2)ccc1F ZINC000268923461 178228415 /nfs/dbraw/zinc/22/84/15/178228415.db2.gz KOHNFSRYXVUDLF-GFCCVEGCSA-N 0 3 246.329 3.323 20 0 BGADHN Cc1cc([C@H](C)NCc2ccn(C)c2)ccc1F ZINC000268923464 178251568 /nfs/dbraw/zinc/25/15/68/178251568.db2.gz KOHNFSRYXVUDLF-LBPRGKRZSA-N 0 3 246.329 3.323 20 0 BGADHN COCCN(CCCF)[C@H](C)c1ccccc1 ZINC000268935643 174291084 /nfs/dbraw/zinc/29/10/84/174291084.db2.gz RPQAOSGHMWHRIN-CYBMUJFWSA-N 0 3 239.334 3.056 20 0 BGADHN COCCN(CCCF)[C@@H](C)c1ccccc1 ZINC000268935645 174291324 /nfs/dbraw/zinc/29/13/24/174291324.db2.gz RPQAOSGHMWHRIN-ZDUSSCGKSA-N 0 3 239.334 3.056 20 0 BGADHN C[C@@H]1c2ccsc2CCN1CCCF ZINC000268939481 386722612 /nfs/dbraw/zinc/72/26/12/386722612.db2.gz SLOYRXQQUFEIRI-SECBINFHSA-N 0 3 213.321 3.027 20 0 BGADHN C[C@H]1c2ccsc2CCN1CCCF ZINC000268939482 386723352 /nfs/dbraw/zinc/72/33/52/386723352.db2.gz SLOYRXQQUFEIRI-VIFPVBQESA-N 0 3 213.321 3.027 20 0 BGADHN c1cc2c(s1)CCC[C@H]2N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000268943830 488041876 /nfs/dbraw/zinc/04/18/76/488041876.db2.gz UEDIBZSJSXHDSZ-JHEVNIALSA-N 0 3 249.379 3.035 20 0 BGADHN c1cc2c(s1)CCC[C@@H]2N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000268943833 488042448 /nfs/dbraw/zinc/04/24/48/488042448.db2.gz UEDIBZSJSXHDSZ-MGAJPHDKSA-N 0 3 249.379 3.035 20 0 BGADHN COC1CCN(Cc2cc3ccccc3o2)CC1 ZINC000268947520 174030530 /nfs/dbraw/zinc/03/05/30/174030530.db2.gz DALIQRUEYKWKLX-UHFFFAOYSA-N 0 3 245.322 3.044 20 0 BGADHN CN(Cc1ccccn1)[C@H]1C[C@@H]1c1ccccc1 ZINC000268968692 386726486 /nfs/dbraw/zinc/72/64/86/386726486.db2.gz LVCJIVIPOOBQCC-CVEARBPZSA-N 0 3 238.334 3.070 20 0 BGADHN CN(Cc1ccccn1)[C@H]1C[C@H]1c1ccccc1 ZINC000268968695 386728330 /nfs/dbraw/zinc/72/83/30/386728330.db2.gz LVCJIVIPOOBQCC-HOTGVXAUSA-N 0 3 238.334 3.070 20 0 BGADHN CN(Cc1ccccn1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000268968697 386727748 /nfs/dbraw/zinc/72/77/48/386727748.db2.gz LVCJIVIPOOBQCC-HZPDHXFCSA-N 0 3 238.334 3.070 20 0 BGADHN CN(Cc1ccccn1)[C@@H]1C[C@H]1c1ccccc1 ZINC000268968700 386727883 /nfs/dbraw/zinc/72/78/83/386727883.db2.gz LVCJIVIPOOBQCC-JKSUJKDBSA-N 0 3 238.334 3.070 20 0 BGADHN Cc1ccc([C@@H](C)NCCCC(C)(C)CO)o1 ZINC000268972447 389006837 /nfs/dbraw/zinc/00/68/37/389006837.db2.gz ILAZEDXWCSIWSX-GFCCVEGCSA-N 0 3 239.359 3.037 20 0 BGADHN Cc1ccc([C@H](C)NCCCC(C)(C)CO)o1 ZINC000268972450 389007503 /nfs/dbraw/zinc/00/75/03/389007503.db2.gz ILAZEDXWCSIWSX-LBPRGKRZSA-N 0 3 239.359 3.037 20 0 BGADHN CC[C@@H](COC)N[C@@H](C)c1ccc(F)c(C)c1 ZINC000268975114 386732475 /nfs/dbraw/zinc/73/24/75/386732475.db2.gz BMNBRNZXTNYWSI-AAEUAGOBSA-N 0 3 239.334 3.210 20 0 BGADHN CC[C@H](COC)N[C@H](C)c1ccc(F)c(C)c1 ZINC000268975115 386731796 /nfs/dbraw/zinc/73/17/96/386731796.db2.gz BMNBRNZXTNYWSI-DGCLKSJQSA-N 0 3 239.334 3.210 20 0 BGADHN CC[C@H](COC)N[C@@H](C)c1ccc(F)c(C)c1 ZINC000268975119 386732251 /nfs/dbraw/zinc/73/22/51/386732251.db2.gz BMNBRNZXTNYWSI-WCQYABFASA-N 0 3 239.334 3.210 20 0 BGADHN CC[C@@H](COC)N[C@H](C)c1ccc(F)c(C)c1 ZINC000268975121 386731985 /nfs/dbraw/zinc/73/19/85/386731985.db2.gz BMNBRNZXTNYWSI-YPMHNXCESA-N 0 3 239.334 3.210 20 0 BGADHN CCCC(O)(CCC)CN[C@H](C)c1ccco1 ZINC000268977928 386730684 /nfs/dbraw/zinc/73/06/84/386730684.db2.gz CCIBRLGRZIGIPK-GFCCVEGCSA-N 0 3 239.359 3.262 20 0 BGADHN CCCC(O)(CCC)CN[C@@H](C)c1ccco1 ZINC000268977930 386732521 /nfs/dbraw/zinc/73/25/21/386732521.db2.gz CCIBRLGRZIGIPK-LBPRGKRZSA-N 0 3 239.359 3.262 20 0 BGADHN CCc1ccc(CN[C@@H]2CCOC3(CCC3)C2)o1 ZINC000268980702 171811112 /nfs/dbraw/zinc/81/11/12/171811112.db2.gz QWGGFQATAFMLLJ-GFCCVEGCSA-N 0 3 249.354 3.033 20 0 BGADHN CCc1ccc(CN[C@H]2CCOC3(CCC3)C2)o1 ZINC000268980705 386731331 /nfs/dbraw/zinc/73/13/31/386731331.db2.gz QWGGFQATAFMLLJ-LBPRGKRZSA-N 0 3 249.354 3.033 20 0 BGADHN CCC(CC)(CCO)CN[C@H](C)c1ccco1 ZINC000268985275 168318742 /nfs/dbraw/zinc/31/87/42/168318742.db2.gz QBEAWXXDCWEXSO-GFCCVEGCSA-N 0 3 239.359 3.119 20 0 BGADHN CCC(CC)(CCO)CN[C@@H](C)c1ccco1 ZINC000268985277 168319581 /nfs/dbraw/zinc/31/95/81/168319581.db2.gz QBEAWXXDCWEXSO-LBPRGKRZSA-N 0 3 239.359 3.119 20 0 BGADHN COC[C@H](N[C@@H]1CCC[C@H]1C)c1ccc(C)o1 ZINC000268985284 135364362 /nfs/dbraw/zinc/36/43/62/135364362.db2.gz QBHFXJROOAHLQL-RTXFEEFZSA-N 0 3 237.343 3.054 20 0 BGADHN COC[C@H](N[C@H]1CCC[C@H]1C)c1ccc(C)o1 ZINC000268985286 135364316 /nfs/dbraw/zinc/36/43/16/135364316.db2.gz QBHFXJROOAHLQL-WXHSDQCUSA-N 0 3 237.343 3.054 20 0 BGADHN CC1(C)CCCC[C@H]1NCc1ccc(F)cn1 ZINC000268986198 386732584 /nfs/dbraw/zinc/73/25/84/386732584.db2.gz FIKUGVRTGWDWSM-CYBMUJFWSA-N 0 3 236.334 3.279 20 0 BGADHN CC1(C)CCCC[C@@H]1NCc1ccc(F)cn1 ZINC000268986199 386733085 /nfs/dbraw/zinc/73/30/85/386733085.db2.gz FIKUGVRTGWDWSM-ZDUSSCGKSA-N 0 3 236.334 3.279 20 0 BGADHN CCC1(CN[C@H](C)c2ccco2)CCOCC1 ZINC000268997494 389007421 /nfs/dbraw/zinc/00/74/21/389007421.db2.gz SZKVJDNKCXZBBT-GFCCVEGCSA-N 0 3 237.343 3.137 20 0 BGADHN CCC1(CN[C@@H](C)c2ccco2)CCOCC1 ZINC000268997496 389007049 /nfs/dbraw/zinc/00/70/49/389007049.db2.gz SZKVJDNKCXZBBT-LBPRGKRZSA-N 0 3 237.343 3.137 20 0 BGADHN CN(C[C@@H]1CCCCO1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000268999071 386733744 /nfs/dbraw/zinc/73/37/44/386733744.db2.gz YTQMFFTWZGMHPA-ARFHVFGLSA-N 0 3 245.366 3.043 20 0 BGADHN CN(C[C@@H]1CCCCO1)[C@@H]1C[C@H]1c1ccccc1 ZINC000268999072 386736469 /nfs/dbraw/zinc/73/64/69/386736469.db2.gz YTQMFFTWZGMHPA-HRCADAONSA-N 0 3 245.366 3.043 20 0 BGADHN CN(C[C@@H]1CCCCO1)[C@H]1C[C@H]1c1ccccc1 ZINC000268999074 386735599 /nfs/dbraw/zinc/73/55/99/386735599.db2.gz YTQMFFTWZGMHPA-JYJNAYRXSA-N 0 3 245.366 3.043 20 0 BGADHN CN(C[C@@H]1CCCCO1)[C@H]1C[C@@H]1c1ccccc1 ZINC000268999076 386736438 /nfs/dbraw/zinc/73/64/38/386736438.db2.gz YTQMFFTWZGMHPA-XHSDSOJGSA-N 0 3 245.366 3.043 20 0 BGADHN CCc1ccc([C@@H](C)NCCc2ccncc2)o1 ZINC000269019541 386739599 /nfs/dbraw/zinc/73/95/99/386739599.db2.gz PPGUSXRDBFHCRR-GFCCVEGCSA-N 0 3 244.338 3.130 20 0 BGADHN CCc1ccc([C@H](C)NCCc2ccncc2)o1 ZINC000269019542 386739029 /nfs/dbraw/zinc/73/90/29/386739029.db2.gz PPGUSXRDBFHCRR-LBPRGKRZSA-N 0 3 244.338 3.130 20 0 BGADHN Cc1ccc([C@H](C)NCC2=CCCOC2)c(C)c1 ZINC000269255362 389008584 /nfs/dbraw/zinc/00/85/84/389008584.db2.gz ABSYLKYKTKPDDM-AWEZNQCLSA-N 0 3 245.366 3.301 20 0 BGADHN Cc1ccc([C@@H](C)NCC2=CCCOC2)c(C)c1 ZINC000269255364 389008078 /nfs/dbraw/zinc/00/80/78/389008078.db2.gz ABSYLKYKTKPDDM-CQSZACIVSA-N 0 3 245.366 3.301 20 0 BGADHN Cc1ccc([C@H](C)NCC2=CCCOC2)cc1C ZINC000269262389 389007999 /nfs/dbraw/zinc/00/79/99/389007999.db2.gz CNRQVWQLAPAKIR-AWEZNQCLSA-N 0 3 245.366 3.301 20 0 BGADHN Cc1ccc([C@@H](C)NCC2=CCCOC2)cc1C ZINC000269262393 389008339 /nfs/dbraw/zinc/00/83/39/389008339.db2.gz CNRQVWQLAPAKIR-CQSZACIVSA-N 0 3 245.366 3.301 20 0 BGADHN CC[C@H](NCC1=CCCOC1)c1ccc(F)cc1 ZINC000269264754 389008307 /nfs/dbraw/zinc/00/83/07/389008307.db2.gz CZAPOCZJTLKBHN-HNNXBMFYSA-N 0 3 249.329 3.213 20 0 BGADHN CC[C@@H](NCC1=CCCOC1)c1ccc(F)cc1 ZINC000269264755 389008612 /nfs/dbraw/zinc/00/86/12/389008612.db2.gz CZAPOCZJTLKBHN-OAHLLOKOSA-N 0 3 249.329 3.213 20 0 BGADHN CC(C)c1ccc(CNCC2=CCCOC2)cc1 ZINC000269270645 389008168 /nfs/dbraw/zinc/00/81/68/389008168.db2.gz GCMHBCLPEQDRLN-UHFFFAOYSA-N 0 3 245.366 3.246 20 0 BGADHN Cc1cc([C@@H](C)NCC2=CCCOC2)ccc1F ZINC000269280144 178222138 /nfs/dbraw/zinc/22/21/38/178222138.db2.gz KITAWFALOSPLCW-GFCCVEGCSA-N 0 3 249.329 3.131 20 0 BGADHN Cc1cc([C@H](C)NCC2=CCCOC2)ccc1F ZINC000269280145 178247097 /nfs/dbraw/zinc/24/70/97/178247097.db2.gz KITAWFALOSPLCW-LBPRGKRZSA-N 0 3 249.329 3.131 20 0 BGADHN CCCCCN(C)Cc1nc2ccccc2o1 ZINC000269322322 386780285 /nfs/dbraw/zinc/78/02/85/386780285.db2.gz NCLGMVSRPBMNGP-UHFFFAOYSA-N 0 3 232.327 3.450 20 0 BGADHN CCCN(CC)Cc1cnc(-c2ccccc2)[nH]1 ZINC000269339156 169128588 /nfs/dbraw/zinc/12/85/88/169128588.db2.gz FKAQWQQCCIQWBX-UHFFFAOYSA-N 0 3 243.354 3.309 20 0 BGADHN CCCN(CC)Cc1c[nH]c(-c2ccccc2)n1 ZINC000269339156 169128584 /nfs/dbraw/zinc/12/85/84/169128584.db2.gz FKAQWQQCCIQWBX-UHFFFAOYSA-N 0 3 243.354 3.309 20 0 BGADHN CCN(Cc1ccccc1)Cc1cnccc1C ZINC000269406196 351354541 /nfs/dbraw/zinc/35/45/41/351354541.db2.gz BJFNIEKZQAXFSR-UHFFFAOYSA-N 0 3 240.350 3.412 20 0 BGADHN CCCCN(CC)Cc1cnccc1C ZINC000269420217 386792323 /nfs/dbraw/zinc/79/23/23/386792323.db2.gz KMEWKBOXXDZCRM-UHFFFAOYSA-N 0 3 206.333 3.012 20 0 BGADHN CCC1(C)CCN(Cc2ccncc2)CC1 ZINC000269424445 386793561 /nfs/dbraw/zinc/79/35/61/386793561.db2.gz FMFAXBPMHCQXEJ-UHFFFAOYSA-N 0 3 218.344 3.094 20 0 BGADHN CC(=O)CCN(C)[C@@H](C)c1ccc(C)cc1C ZINC000269460962 188024375 /nfs/dbraw/zinc/02/43/75/188024375.db2.gz HSJDONJMPYBRDV-AWEZNQCLSA-N 0 3 233.355 3.275 20 0 BGADHN CC(=O)CCN(C)[C@H](C)c1ccc(C)cc1C ZINC000269460980 187334249 /nfs/dbraw/zinc/33/42/49/187334249.db2.gz HSJDONJMPYBRDV-CQSZACIVSA-N 0 3 233.355 3.275 20 0 BGADHN CC(=O)CCN1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000269462655 386796486 /nfs/dbraw/zinc/79/64/86/386796486.db2.gz SGFNDGSZJFKCJP-ABAIWWIYSA-N 0 3 249.329 3.188 20 0 BGADHN CC(=O)CCN1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000269462657 386794844 /nfs/dbraw/zinc/79/48/44/386794844.db2.gz SGFNDGSZJFKCJP-IAQYHMDHSA-N 0 3 249.329 3.188 20 0 BGADHN CC(=O)CCN1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000269462659 188375466 /nfs/dbraw/zinc/37/54/66/188375466.db2.gz SGFNDGSZJFKCJP-NHYWBVRUSA-N 0 3 249.329 3.188 20 0 BGADHN CC(=O)CCN1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000269462661 386795781 /nfs/dbraw/zinc/79/57/81/386795781.db2.gz SGFNDGSZJFKCJP-XHDPSFHLSA-N 0 3 249.329 3.188 20 0 BGADHN Cc1ccncc1CN(CC(C)C)C1CC1 ZINC000269463863 386795134 /nfs/dbraw/zinc/79/51/34/386795134.db2.gz AEPQYWMBMXUEKO-UHFFFAOYSA-N 0 3 218.344 3.010 20 0 BGADHN CC(=O)CCN(Cc1cccc(F)c1)C(C)C ZINC000269484519 188197960 /nfs/dbraw/zinc/19/79/60/188197960.db2.gz LEBVNXCDIRVBMW-UHFFFAOYSA-N 0 3 237.318 3.015 20 0 BGADHN CCN(CCC(C)=O)Cc1ccc(Cl)cc1 ZINC000269505809 385598907 /nfs/dbraw/zinc/59/89/07/385598907.db2.gz NJSANYUYJWFFMP-UHFFFAOYSA-N 0 3 239.746 3.141 20 0 BGADHN CC(=O)CCN(Cc1ccc(F)cc1)C(C)C ZINC000269540224 188197690 /nfs/dbraw/zinc/19/76/90/188197690.db2.gz UYAVRAJUBNYYRD-UHFFFAOYSA-N 0 3 237.318 3.015 20 0 BGADHN c1cc(CN2CC3C[C@@H]4CC2C[C@H](C3)C4)ccn1 ZINC000269543756 183340492 /nfs/dbraw/zinc/34/04/92/183340492.db2.gz VZIYDPZRXHFQSQ-PJPHBNEVSA-N 0 3 242.366 3.092 20 0 BGADHN Cc1ccncc1CN1CCCC(C)(C)C1 ZINC000269553182 385607201 /nfs/dbraw/zinc/60/72/01/385607201.db2.gz NTIRSTLEOHIMOK-UHFFFAOYSA-N 0 3 218.344 3.012 20 0 BGADHN CCCN(CCC(C)=O)Cc1ccc(F)cc1 ZINC000269554603 169139602 /nfs/dbraw/zinc/13/96/02/169139602.db2.gz ZNCRKOHESKIYEW-UHFFFAOYSA-N 0 3 237.318 3.017 20 0 BGADHN CCC1CCN(Cc2cnccc2C)CC1 ZINC000269561211 385606007 /nfs/dbraw/zinc/60/60/07/385606007.db2.gz IWDZEUWHWLHZOH-UHFFFAOYSA-N 0 3 218.344 3.012 20 0 BGADHN CCCCN(Cc1cnccc1C)C1CC1 ZINC000269564281 385606235 /nfs/dbraw/zinc/60/62/35/385606235.db2.gz KCBNEATZEJMFHG-UHFFFAOYSA-N 0 3 218.344 3.155 20 0 BGADHN Cc1ccncc1CN(C)CCc1ccccc1 ZINC000269568771 385609234 /nfs/dbraw/zinc/60/92/34/385609234.db2.gz LWTNMRBEIHKCCZ-UHFFFAOYSA-N 0 3 240.350 3.065 20 0 BGADHN Cc1ccncc1CN1CCC[C@@H]2CCC[C@H]21 ZINC000269578241 385608932 /nfs/dbraw/zinc/60/89/32/385608932.db2.gz DJBDERNVELMVCE-DZGCQCFKSA-N 0 3 230.355 3.155 20 0 BGADHN Cc1ccncc1CN1CCC[C@H]2CCC[C@@H]21 ZINC000269578244 385610962 /nfs/dbraw/zinc/61/09/62/385610962.db2.gz DJBDERNVELMVCE-HIFRSBDPSA-N 0 3 230.355 3.155 20 0 BGADHN Cc1ccncc1CN1CCC[C@H]2CCC[C@H]21 ZINC000269578246 385610540 /nfs/dbraw/zinc/61/05/40/385610540.db2.gz DJBDERNVELMVCE-UKRRQHHQSA-N 0 3 230.355 3.155 20 0 BGADHN Cc1ccncc1CN1CCC[C@@H]2CCC[C@@H]21 ZINC000269578249 385610136 /nfs/dbraw/zinc/61/01/36/385610136.db2.gz DJBDERNVELMVCE-ZFWWWQNUSA-N 0 3 230.355 3.155 20 0 BGADHN Cc1ccncc1CNC(C)(C)c1ccccc1 ZINC000269584992 385609595 /nfs/dbraw/zinc/60/95/95/385609595.db2.gz QUQTYPWCSQYRJH-UHFFFAOYSA-N 0 3 240.350 3.415 20 0 BGADHN Cc1ccncc1CN(CCC(C)C)C1CC1 ZINC000269596956 538920460 /nfs/dbraw/zinc/92/04/60/538920460.db2.gz UVWAHBJWJXSQRA-UHFFFAOYSA-N 0 3 232.371 3.401 20 0 BGADHN Cc1ccncc1CN(C)CCc1cccs1 ZINC000269602322 385612478 /nfs/dbraw/zinc/61/24/78/385612478.db2.gz LGWYUWILMBDKOC-UHFFFAOYSA-N 0 3 246.379 3.126 20 0 BGADHN CCSCC[C@@H](C)N(C)Cc1cccnc1 ZINC000269621043 385615462 /nfs/dbraw/zinc/61/54/62/385615462.db2.gz ICFFBBAZNKYZMV-GFCCVEGCSA-N 0 3 238.400 3.045 20 0 BGADHN CCSCC[C@H](C)N(C)Cc1cccnc1 ZINC000269621045 385614790 /nfs/dbraw/zinc/61/47/90/385614790.db2.gz ICFFBBAZNKYZMV-LBPRGKRZSA-N 0 3 238.400 3.045 20 0 BGADHN CN(Cc1cccnc1)[C@H]1C[C@@H]1c1ccccc1 ZINC000269625437 385615251 /nfs/dbraw/zinc/61/52/51/385615251.db2.gz FXHZNEGCLUOULS-CVEARBPZSA-N 0 3 238.334 3.070 20 0 BGADHN CN(Cc1cccnc1)[C@H]1C[C@H]1c1ccccc1 ZINC000269625440 385615498 /nfs/dbraw/zinc/61/54/98/385615498.db2.gz FXHZNEGCLUOULS-HOTGVXAUSA-N 0 3 238.334 3.070 20 0 BGADHN CN(Cc1cccnc1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000269625441 385615106 /nfs/dbraw/zinc/61/51/06/385615106.db2.gz FXHZNEGCLUOULS-HZPDHXFCSA-N 0 3 238.334 3.070 20 0 BGADHN CN(Cc1cccnc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000269625444 385615757 /nfs/dbraw/zinc/61/57/57/385615757.db2.gz FXHZNEGCLUOULS-JKSUJKDBSA-N 0 3 238.334 3.070 20 0 BGADHN CC(=O)CCN([C@H](C)c1ccccc1)C1CC1 ZINC000269640215 188024151 /nfs/dbraw/zinc/02/41/51/188024151.db2.gz RXTJKJXCKKJUFN-CYBMUJFWSA-N 0 3 231.339 3.191 20 0 BGADHN CC(=O)CCN([C@@H](C)c1ccccc1)C1CC1 ZINC000269640218 385618561 /nfs/dbraw/zinc/61/85/61/385618561.db2.gz RXTJKJXCKKJUFN-ZDUSSCGKSA-N 0 3 231.339 3.191 20 0 BGADHN CC(=O)CCN1CCCC[C@H]1c1ccc(F)cc1 ZINC000269668344 385621619 /nfs/dbraw/zinc/62/16/19/385621619.db2.gz ZOFAFFDRJPTXSC-HNNXBMFYSA-N 0 3 249.329 3.332 20 0 BGADHN CC(=O)CCN1CCCC[C@@H]1c1ccc(F)cc1 ZINC000269668347 187334944 /nfs/dbraw/zinc/33/49/44/187334944.db2.gz ZOFAFFDRJPTXSC-OAHLLOKOSA-N 0 3 249.329 3.332 20 0 BGADHN CC(C)(C)[C@@H]1CCCN1Cc1nccs1 ZINC000269674170 188197506 /nfs/dbraw/zinc/19/75/06/188197506.db2.gz BQFNSNZLSPXCEN-JTQLQIEISA-N 0 3 224.373 3.154 20 0 BGADHN CC(C)(C)[C@H]1CCCN1Cc1nccs1 ZINC000269674173 385623443 /nfs/dbraw/zinc/62/34/43/385623443.db2.gz BQFNSNZLSPXCEN-SNVBAGLBSA-N 0 3 224.373 3.154 20 0 BGADHN CC(C)N(Cc1nccs1)C1CCCC1 ZINC000269677292 385623820 /nfs/dbraw/zinc/62/38/20/385623820.db2.gz CGURHQSOEXGYBZ-UHFFFAOYSA-N 0 3 224.373 3.296 20 0 BGADHN COCc1ccc(CNCC2(C3CC3)CCC2)o1 ZINC000269850766 411298755 /nfs/dbraw/zinc/29/87/55/411298755.db2.gz XVGJAPLHWGDRKE-UHFFFAOYSA-N 0 3 249.354 3.096 20 0 BGADHN C[C@@H](N[C@@H]1CCc2c1c(F)ccc2F)C1CC1 ZINC000269867939 385642405 /nfs/dbraw/zinc/64/24/05/385642405.db2.gz UAEPFDDMILLFNL-AMIZOPFISA-N 0 3 237.293 3.340 20 0 BGADHN C[C@H](N[C@@H]1CCc2c1c(F)ccc2F)C1CC1 ZINC000269867944 385641741 /nfs/dbraw/zinc/64/17/41/385641741.db2.gz UAEPFDDMILLFNL-ISVAXAHUSA-N 0 3 237.293 3.340 20 0 BGADHN C[C@@H](N[C@H]1CCc2c1c(F)ccc2F)C1CC1 ZINC000269867948 385641403 /nfs/dbraw/zinc/64/14/03/385641403.db2.gz UAEPFDDMILLFNL-OQPBUACISA-N 0 3 237.293 3.340 20 0 BGADHN C[C@H](N[C@H]1CCc2c1c(F)ccc2F)C1CC1 ZINC000269867953 385642005 /nfs/dbraw/zinc/64/20/05/385642005.db2.gz UAEPFDDMILLFNL-SDBXPKJASA-N 0 3 237.293 3.340 20 0 BGADHN COCc1ccc(CNCCC2=CCCC2)o1 ZINC000269877625 389011520 /nfs/dbraw/zinc/01/15/20/389011520.db2.gz QHSZXJHJLJDIEI-UHFFFAOYSA-N 0 3 235.327 3.016 20 0 BGADHN CSc1ccc(CSCCN(C)C)cc1 ZINC000270080692 385668193 /nfs/dbraw/zinc/66/81/93/385668193.db2.gz AHXFPRLFQWGQNC-UHFFFAOYSA-N 0 3 241.425 3.203 20 0 BGADHN CC1=CCN(Cc2cccc3cccnc32)CC1 ZINC000270111314 168114208 /nfs/dbraw/zinc/11/42/08/168114208.db2.gz DFNGDUNCJQIXEP-UHFFFAOYSA-N 0 3 238.334 3.387 20 0 BGADHN CCCN(Cc1cc(OC)cc(C)n1)CC1CC1 ZINC000270180925 169173192 /nfs/dbraw/zinc/17/31/92/169173192.db2.gz ALLIDMHDXWDONY-UHFFFAOYSA-N 0 3 248.370 3.021 20 0 BGADHN CCCc1ccc(CN[C@H](C)c2cn[nH]c2)cc1 ZINC000270198921 385683655 /nfs/dbraw/zinc/68/36/55/385683655.db2.gz LZFJGXAHHFLLMZ-GFCCVEGCSA-N 0 3 243.354 3.213 20 0 BGADHN CCCc1ccc(CN[C@@H](C)c2cn[nH]c2)cc1 ZINC000270198925 385683553 /nfs/dbraw/zinc/68/35/53/385683553.db2.gz LZFJGXAHHFLLMZ-LBPRGKRZSA-N 0 3 243.354 3.213 20 0 BGADHN COc1cc(C)nc(CN(C)C2CCCCC2)c1 ZINC000270240014 385689352 /nfs/dbraw/zinc/68/93/52/385689352.db2.gz HOIWHZSYLKWPAX-UHFFFAOYSA-N 0 3 248.370 3.163 20 0 BGADHN CCC(C)(C)N(C)Cc1cc(OC)cc(C)n1 ZINC000270247976 168285580 /nfs/dbraw/zinc/28/55/80/168285580.db2.gz ILPIIOQVBCHKDS-UHFFFAOYSA-N 0 3 236.359 3.019 20 0 BGADHN COc1cc(C)nc(CN(CC(C)C)C2CC2)c1 ZINC000270281833 385693631 /nfs/dbraw/zinc/69/36/31/385693631.db2.gz MJSPBIRXEMRZDP-UHFFFAOYSA-N 0 3 248.370 3.019 20 0 BGADHN COc1cc(C)nc(CN(C)[C@H](C)C2(C)CC2)c1 ZINC000270293316 385694118 /nfs/dbraw/zinc/69/41/18/385694118.db2.gz NOADABFJVQALFW-GFCCVEGCSA-N 0 3 248.370 3.019 20 0 BGADHN COc1cc(C)nc(CN(C)[C@@H](C)C2(C)CC2)c1 ZINC000270293318 385694160 /nfs/dbraw/zinc/69/41/60/385694160.db2.gz NOADABFJVQALFW-LBPRGKRZSA-N 0 3 248.370 3.019 20 0 BGADHN CC(C)(C)C1=CCN(Cc2ccncc2)CC1 ZINC000270334491 385697701 /nfs/dbraw/zinc/69/77/01/385697701.db2.gz COIXZFHHQCZJTE-UHFFFAOYSA-N 0 3 230.355 3.260 20 0 BGADHN CC(C)(C)C1=CCN(CCc2ccncc2)CC1 ZINC000270336647 385698695 /nfs/dbraw/zinc/69/86/95/385698695.db2.gz CWLYQYBVUYPYNH-UHFFFAOYSA-N 0 3 244.382 3.302 20 0 BGADHN Cc1cc(CN(C)C)cc(NC(=O)CC(C)C)c1 ZINC000270345672 385697664 /nfs/dbraw/zinc/69/76/64/385697664.db2.gz AHXRUNXAXYPBPD-UHFFFAOYSA-N 0 3 248.370 3.041 20 0 BGADHN COc1cc(C)nc(CN2CCC[C@H]2C(C)C)c1 ZINC000270348229 385700534 /nfs/dbraw/zinc/70/05/34/385700534.db2.gz VURLRAPVZYBQIY-HNNXBMFYSA-N 0 3 248.370 3.019 20 0 BGADHN COc1cc(C)nc(CN2CCC[C@@H]2C(C)C)c1 ZINC000270348231 385701256 /nfs/dbraw/zinc/70/12/56/385701256.db2.gz VURLRAPVZYBQIY-OAHLLOKOSA-N 0 3 248.370 3.019 20 0 BGADHN Cc1cc(CN(C)C)cc(NC(=O)C(C)(C)C)c1 ZINC000270348427 385700637 /nfs/dbraw/zinc/70/06/37/385700637.db2.gz BEWVZWYPFXPFHM-UHFFFAOYSA-N 0 3 248.370 3.041 20 0 BGADHN CCCCC(=O)Nc1cc(C)cc(CN(C)C)c1 ZINC000270365207 385700443 /nfs/dbraw/zinc/70/04/43/385700443.db2.gz HVMPOGFKVKOROI-UHFFFAOYSA-N 0 3 248.370 3.185 20 0 BGADHN CCC[C@@H](C)N(C)Cc1cc(OC)cc(C)n1 ZINC000270366606 169364601 /nfs/dbraw/zinc/36/46/01/169364601.db2.gz YRGGAGCEPMZNIV-GFCCVEGCSA-N 0 3 236.359 3.019 20 0 BGADHN CCC[C@H](C)N(C)Cc1cc(OC)cc(C)n1 ZINC000270366607 385701822 /nfs/dbraw/zinc/70/18/22/385701822.db2.gz YRGGAGCEPMZNIV-LBPRGKRZSA-N 0 3 236.359 3.019 20 0 BGADHN CCN(Cc1cc(OC)cc(C)n1)C1CCCC1 ZINC000270375431 351378812 /nfs/dbraw/zinc/37/88/12/351378812.db2.gz ZYXLISKGCMNQNK-UHFFFAOYSA-N 0 3 248.370 3.163 20 0 BGADHN CC[C@@H](C)C(=O)Nc1cc(C)cc(CN(C)C)c1 ZINC000270376871 385704394 /nfs/dbraw/zinc/70/43/94/385704394.db2.gz MAQBKXWVYBHTIX-GFCCVEGCSA-N 0 3 248.370 3.041 20 0 BGADHN CC[C@H](C)C(=O)Nc1cc(C)cc(CN(C)C)c1 ZINC000270376872 171254474 /nfs/dbraw/zinc/25/44/74/171254474.db2.gz MAQBKXWVYBHTIX-LBPRGKRZSA-N 0 3 248.370 3.041 20 0 BGADHN CC(C)(C)C1=CCN(CCc2cccnc2)CC1 ZINC000270386251 385704285 /nfs/dbraw/zinc/70/42/85/385704285.db2.gz RDWISQXNLWNCRU-UHFFFAOYSA-N 0 3 244.382 3.302 20 0 BGADHN CC(C)(C)C1=CCN(CCc2ccccn2)CC1 ZINC000270394979 385703635 /nfs/dbraw/zinc/70/36/35/385703635.db2.gz UCVNFOSBRVIFEW-UHFFFAOYSA-N 0 3 244.382 3.302 20 0 BGADHN Cc1cc(CN2CCCSCC2)c(C)s1 ZINC000270498531 385712616 /nfs/dbraw/zinc/71/26/16/385712616.db2.gz BPRFRRFJRHHJJO-UHFFFAOYSA-N 0 3 241.425 3.304 20 0 BGADHN C[C@@H](NCc1cccs1)c1cccc(CO)c1 ZINC000270543102 385718031 /nfs/dbraw/zinc/71/80/31/385718031.db2.gz YDUXOCKCZBHRID-LLVKDONJSA-N 0 3 247.363 3.091 20 0 BGADHN C[C@H](NCc1cccs1)c1cccc(CO)c1 ZINC000270543104 385716451 /nfs/dbraw/zinc/71/64/51/385716451.db2.gz YDUXOCKCZBHRID-NSHDSACASA-N 0 3 247.363 3.091 20 0 BGADHN C[C@@H](NCc1ccsc1)c1cccc(CO)c1 ZINC000270545663 175904164 /nfs/dbraw/zinc/90/41/64/175904164.db2.gz YRFGOJJHAJSDSX-LLVKDONJSA-N 0 3 247.363 3.091 20 0 BGADHN C[C@H](NCc1ccsc1)c1cccc(CO)c1 ZINC000270545665 385716669 /nfs/dbraw/zinc/71/66/69/385716669.db2.gz YRFGOJJHAJSDSX-NSHDSACASA-N 0 3 247.363 3.091 20 0 BGADHN CCSCCN(CC)[C@H](C)c1cccnc1 ZINC000270622875 385725857 /nfs/dbraw/zinc/72/58/57/385725857.db2.gz DQHKVCGQCFGKFX-GFCCVEGCSA-N 0 3 238.400 3.218 20 0 BGADHN CCSCCN(CC)[C@@H](C)c1cccnc1 ZINC000270622879 385724779 /nfs/dbraw/zinc/72/47/79/385724779.db2.gz DQHKVCGQCFGKFX-LBPRGKRZSA-N 0 3 238.400 3.218 20 0 BGADHN Cn1ccc(CNC(C)(C)c2ccccc2)c1 ZINC000270654832 387436414 /nfs/dbraw/zinc/43/64/14/387436414.db2.gz RQCJZJMAENEYKG-UHFFFAOYSA-N 0 3 228.339 3.050 20 0 BGADHN COc1ccc2oc(CNC3CC(C)C3)cc2c1 ZINC000270684206 175230801 /nfs/dbraw/zinc/23/08/01/175230801.db2.gz ZHEKRPYGFUXUMQ-UHFFFAOYSA-N 0 3 245.322 3.330 20 0 BGADHN c1c2ccccc2oc1CN1CCCSCC1 ZINC000270701875 385730420 /nfs/dbraw/zinc/73/04/20/385730420.db2.gz XLHBFDKAYGNCLB-UHFFFAOYSA-N 0 3 247.363 3.372 20 0 BGADHN CCCN(CC)[C@H](C)C(=O)Nc1ccccc1C ZINC000270805723 169131937 /nfs/dbraw/zinc/13/19/37/169131937.db2.gz VKTBOTPWWNHXPN-CYBMUJFWSA-N 0 3 248.370 3.054 20 0 BGADHN CCCN(CC)[C@@H](C)C(=O)Nc1ccccc1C ZINC000270805727 169131926 /nfs/dbraw/zinc/13/19/26/169131926.db2.gz VKTBOTPWWNHXPN-ZDUSSCGKSA-N 0 3 248.370 3.054 20 0 BGADHN c1cc2c(s1)CN([C@@H]1C=CCCC1)CC2 ZINC000270851185 188025313 /nfs/dbraw/zinc/02/53/13/188025313.db2.gz GUXJKDYKWACEFQ-GFCCVEGCSA-N 0 3 219.353 3.215 20 0 BGADHN c1cc2c(s1)CN([C@H]1C=CCCC1)CC2 ZINC000270851188 188198223 /nfs/dbraw/zinc/19/82/23/188198223.db2.gz GUXJKDYKWACEFQ-LBPRGKRZSA-N 0 3 219.353 3.215 20 0 BGADHN COc1ccsc1CN1CCCC[C@@H]1C ZINC000270977935 175376966 /nfs/dbraw/zinc/37/69/66/175376966.db2.gz BJISRSFLGJQUIP-JTQLQIEISA-N 0 3 225.357 3.131 20 0 BGADHN COc1ccsc1CN1CCCC[C@H]1C ZINC000270977937 175376981 /nfs/dbraw/zinc/37/69/81/175376981.db2.gz BJISRSFLGJQUIP-SNVBAGLBSA-N 0 3 225.357 3.131 20 0 BGADHN Cc1ncsc1CN1[C@H](C)CCC[C@H]1C ZINC000270988346 180317523 /nfs/dbraw/zinc/31/75/23/180317523.db2.gz GSGQSGVNHMIXCL-NXEZZACHSA-N 0 3 224.373 3.214 20 0 BGADHN Cc1ncsc1CN1[C@@H](C)CCC[C@@H]1C ZINC000270988348 180318803 /nfs/dbraw/zinc/31/88/03/180318803.db2.gz GSGQSGVNHMIXCL-UWVGGRQHSA-N 0 3 224.373 3.214 20 0 BGADHN CCCCN(C)Cc1cnc2ccccc2c1 ZINC000270988352 385766535 /nfs/dbraw/zinc/76/65/35/385766535.db2.gz GSMXANRSHGWIOX-UHFFFAOYSA-N 0 3 228.339 3.467 20 0 BGADHN CCCN(CCC)Cc1cnc(CC)s1 ZINC000270988406 169149011 /nfs/dbraw/zinc/14/90/11/169149011.db2.gz GVEXMQUOJUAWNW-UHFFFAOYSA-N 0 3 226.389 3.328 20 0 BGADHN COCc1ccc(CN2CCCCCCC2)o1 ZINC000270995851 174622166 /nfs/dbraw/zinc/62/21/66/174622166.db2.gz JGYMNGDVUPKGGG-UHFFFAOYSA-N 0 3 237.343 3.192 20 0 BGADHN CCN(Cc1ccncc1)[C@H]1C=CCCC1 ZINC000270998419 351394522 /nfs/dbraw/zinc/39/45/22/351394522.db2.gz JOJDLVQMPAJMRS-AWEZNQCLSA-N 0 3 216.328 3.012 20 0 BGADHN CCN(Cc1ccncc1)[C@@H]1C=CCCC1 ZINC000270998424 351393594 /nfs/dbraw/zinc/39/35/94/351393594.db2.gz JOJDLVQMPAJMRS-CQSZACIVSA-N 0 3 216.328 3.012 20 0 BGADHN CCc1ncc(CN2CCCCCC2)s1 ZINC000271012004 172017899 /nfs/dbraw/zinc/01/78/99/172017899.db2.gz PMCXGACJTZQWLQ-UHFFFAOYSA-N 0 3 224.373 3.082 20 0 BGADHN CCCCN(CC)Cc1cnc(CC)s1 ZINC000271013943 385768985 /nfs/dbraw/zinc/76/89/85/385768985.db2.gz QVANJABLGRKAJU-UHFFFAOYSA-N 0 3 226.389 3.328 20 0 BGADHN CCN(CC)Cc1cnc2ccccc2c1 ZINC000271015830 389016863 /nfs/dbraw/zinc/01/68/63/389016863.db2.gz RRAJPRCKTRTZQU-UHFFFAOYSA-N 0 3 214.312 3.077 20 0 BGADHN COC1CCN(Cc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000271029902 174030186 /nfs/dbraw/zinc/03/01/86/174030186.db2.gz GMEPTLOOHZBECB-BXUZGUMPSA-N 0 3 249.354 3.014 20 0 BGADHN COC1CCN(Cc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000271029904 174030373 /nfs/dbraw/zinc/03/03/73/174030373.db2.gz GMEPTLOOHZBECB-FZMZJTMJSA-N 0 3 249.354 3.014 20 0 BGADHN COC1CCN(Cc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000271029906 174031105 /nfs/dbraw/zinc/03/11/05/174031105.db2.gz GMEPTLOOHZBECB-RISCZKNCSA-N 0 3 249.354 3.014 20 0 BGADHN COC1CCN(Cc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000271029908 174030635 /nfs/dbraw/zinc/03/06/35/174030635.db2.gz GMEPTLOOHZBECB-SMDDNHRTSA-N 0 3 249.354 3.014 20 0 BGADHN COc1ccsc1CN1CCCCCC1 ZINC000271030479 175377422 /nfs/dbraw/zinc/37/74/22/175377422.db2.gz YKEXJYIASJBNKP-UHFFFAOYSA-N 0 3 225.357 3.133 20 0 BGADHN CCc1ncc(CN(C)C2CCCC2)s1 ZINC000271032988 385774528 /nfs/dbraw/zinc/77/45/28/385774528.db2.gz IIPVVXHRMHCREA-UHFFFAOYSA-N 0 3 224.373 3.080 20 0 BGADHN CCCN(Cc1cnc(CC)s1)C1CC1 ZINC000271033067 169179951 /nfs/dbraw/zinc/17/99/51/169179951.db2.gz DKVBMQCTVLSTLB-UHFFFAOYSA-N 0 3 224.373 3.080 20 0 BGADHN CCCN(Cc1sccc1OC)C1CC1 ZINC000271033351 169180766 /nfs/dbraw/zinc/18/07/66/169180766.db2.gz DYIYFGOQLVGNFH-UHFFFAOYSA-N 0 3 225.357 3.131 20 0 BGADHN Cc1nc2sccn2c1CN(C)C1CCCC1 ZINC000271036989 180117936 /nfs/dbraw/zinc/11/79/36/180117936.db2.gz KHFAHBZXJCCBMA-UHFFFAOYSA-N 0 3 249.383 3.079 20 0 BGADHN Cc1ccccc1[C@H](C)N(C)CC1=CCCOC1 ZINC000271037248 179333859 /nfs/dbraw/zinc/33/38/59/179333859.db2.gz GNGXXBYYFFNODZ-AWEZNQCLSA-N 0 3 245.366 3.335 20 0 BGADHN Cc1ccccc1[C@@H](C)N(C)CC1=CCCOC1 ZINC000271037249 179316912 /nfs/dbraw/zinc/31/69/12/179316912.db2.gz GNGXXBYYFFNODZ-CQSZACIVSA-N 0 3 245.366 3.335 20 0 BGADHN CCc1ncc(CN(C)[C@@H](C)C(C)C)s1 ZINC000271037338 385775364 /nfs/dbraw/zinc/77/53/64/385775364.db2.gz GTJKPPXKEXHRAW-JTQLQIEISA-N 0 3 226.389 3.182 20 0 BGADHN CCc1ncc(CN(C)[C@H](C)C(C)C)s1 ZINC000271037340 188025016 /nfs/dbraw/zinc/02/50/16/188025016.db2.gz GTJKPPXKEXHRAW-SNVBAGLBSA-N 0 3 226.389 3.182 20 0 BGADHN COC1CCN(C/C(C)=C/c2ccccc2)CC1 ZINC000271038546 174028391 /nfs/dbraw/zinc/02/83/91/174028391.db2.gz LJSIHKHEOGNUOS-WYMLVPIESA-N 0 3 245.366 3.201 20 0 BGADHN C[C@@H]1c2ccsc2CCN1CC1=CCCOC1 ZINC000271040334 385774872 /nfs/dbraw/zinc/77/48/72/385774872.db2.gz NITFOECWGGGEKS-LLVKDONJSA-N 0 3 249.379 3.014 20 0 BGADHN C[C@H]1c2ccsc2CCN1CC1=CCCOC1 ZINC000271040336 385776380 /nfs/dbraw/zinc/77/63/80/385776380.db2.gz NITFOECWGGGEKS-NSHDSACASA-N 0 3 249.379 3.014 20 0 BGADHN CCCCN(Cc1ccc(OC)c(O)c1)C1CC1 ZINC000271042800 385775333 /nfs/dbraw/zinc/77/53/33/385775333.db2.gz JMKYVUWUBDAZRT-UHFFFAOYSA-N 0 3 249.354 3.165 20 0 BGADHN CCCCN(Cc1scnc1C)C1CC1 ZINC000271042978 385774695 /nfs/dbraw/zinc/77/46/95/385774695.db2.gz JZSWNZIOTMGLIQ-UHFFFAOYSA-N 0 3 224.373 3.216 20 0 BGADHN COc1ccsc1CN(C)[C@@H](C)C(C)C ZINC000271042993 175376591 /nfs/dbraw/zinc/37/65/91/175376591.db2.gz KAQSCIBHRXMNLL-JTQLQIEISA-N 0 3 227.373 3.233 20 0 BGADHN COc1ccsc1CN(C)[C@H](C)C(C)C ZINC000271042996 175376683 /nfs/dbraw/zinc/37/66/83/175376683.db2.gz KAQSCIBHRXMNLL-SNVBAGLBSA-N 0 3 227.373 3.233 20 0 BGADHN CN(Cc1ccn(C)c1)[C@H]1CCc2ccccc21 ZINC000271043284 385774846 /nfs/dbraw/zinc/77/48/46/385774846.db2.gz OWPQTGYZOMSBCC-INIZCTEOSA-N 0 3 240.350 3.144 20 0 BGADHN CN(Cc1ccn(C)c1)[C@@H]1CCc2ccccc21 ZINC000271043285 385774577 /nfs/dbraw/zinc/77/45/77/385774577.db2.gz OWPQTGYZOMSBCC-MRXNPFEDSA-N 0 3 240.350 3.144 20 0 BGADHN CCCCN(Cc1cnn2ccccc12)C1CC1 ZINC000271046164 385774824 /nfs/dbraw/zinc/77/48/24/385774824.db2.gz LYBPHYBMBCUDNY-UHFFFAOYSA-N 0 3 243.354 3.099 20 0 BGADHN Cc1ccoc1CN1CCC[C@H]1c1cccn1C ZINC000271046360 385776253 /nfs/dbraw/zinc/77/62/53/385776253.db2.gz RPSUJLQDSNORIY-AWEZNQCLSA-N 0 3 244.338 3.264 20 0 BGADHN Cc1ccoc1CN1CCC[C@@H]1c1cccn1C ZINC000271046362 385776220 /nfs/dbraw/zinc/77/62/20/385776220.db2.gz RPSUJLQDSNORIY-CQSZACIVSA-N 0 3 244.338 3.264 20 0 BGADHN Cc1ccc(CN(C)[C@@H]2CCSC2)cc1F ZINC000271048075 385778814 /nfs/dbraw/zinc/77/88/14/385778814.db2.gz NPCXTMROTMQNEM-GFCCVEGCSA-N 0 3 239.359 3.071 20 0 BGADHN Cc1ccc(CN(C)[C@H]2CCSC2)cc1F ZINC000271048076 385777521 /nfs/dbraw/zinc/77/75/21/385777521.db2.gz NPCXTMROTMQNEM-LBPRGKRZSA-N 0 3 239.359 3.071 20 0 BGADHN COc1ccsc1CN(C)C1CCCC1 ZINC000271051331 175377171 /nfs/dbraw/zinc/37/71/71/175377171.db2.gz WAOFBKOSFXBQJN-UHFFFAOYSA-N 0 3 225.357 3.131 20 0 BGADHN CCCCN(Cc1ccc(COC)o1)C1CC1 ZINC000271053583 385779299 /nfs/dbraw/zinc/77/92/99/385779299.db2.gz RKCJVYLGCXAFOH-UHFFFAOYSA-N 0 3 237.343 3.191 20 0 BGADHN CC(C)CN(C)Cc1cnc(-c2ccccc2)[nH]1 ZINC000271053596 351398157 /nfs/dbraw/zinc/39/81/57/351398157.db2.gz RLLNNXJZQYHANS-UHFFFAOYSA-N 0 3 243.354 3.165 20 0 BGADHN CC(C)CN(C)Cc1c[nH]c(-c2ccccc2)n1 ZINC000271053596 351398151 /nfs/dbraw/zinc/39/81/51/351398151.db2.gz RLLNNXJZQYHANS-UHFFFAOYSA-N 0 3 243.354 3.165 20 0 BGADHN CN(Cc1cncs1)C1CCCCCC1 ZINC000271054123 385778429 /nfs/dbraw/zinc/77/84/29/385778429.db2.gz YJOYTJZLOJTBES-UHFFFAOYSA-N 0 3 224.373 3.298 20 0 BGADHN Cc1ccc(F)c(CN(C)[C@@H]2CCSC2)c1 ZINC000271056435 385779447 /nfs/dbraw/zinc/77/94/47/385779447.db2.gz TVEHEVXJDIGQES-GFCCVEGCSA-N 0 3 239.359 3.071 20 0 BGADHN Cc1ccc(F)c(CN(C)[C@H]2CCSC2)c1 ZINC000271056436 385778743 /nfs/dbraw/zinc/77/87/43/385778743.db2.gz TVEHEVXJDIGQES-LBPRGKRZSA-N 0 3 239.359 3.071 20 0 BGADHN CCC[C@H](C)N(C)Cc1cnc(CC)s1 ZINC000271057023 385779175 /nfs/dbraw/zinc/77/91/75/385779175.db2.gz DEHNJRCJQDFXLE-JTQLQIEISA-N 0 3 226.389 3.326 20 0 BGADHN CCC[C@@H](C)N(C)Cc1cnc(CC)s1 ZINC000271057024 169365805 /nfs/dbraw/zinc/36/58/05/169365805.db2.gz DEHNJRCJQDFXLE-SNVBAGLBSA-N 0 3 226.389 3.326 20 0 BGADHN CC(C)N(Cc1ccn(C)c1)Cc1cccs1 ZINC000271057080 188025263 /nfs/dbraw/zinc/02/52/63/188025263.db2.gz DKJWTNCYTAYQDW-UHFFFAOYSA-N 0 3 248.395 3.497 20 0 BGADHN Cc1n[nH]cc1CN(C)[C@H](C)c1ccccc1C ZINC000271061276 179318250 /nfs/dbraw/zinc/31/82/50/179318250.db2.gz XEZMULSDQIHDFI-CYBMUJFWSA-N 0 3 243.354 3.220 20 0 BGADHN Cc1n[nH]cc1CN(C)[C@@H](C)c1ccccc1C ZINC000271061278 179333775 /nfs/dbraw/zinc/33/37/75/179333775.db2.gz XEZMULSDQIHDFI-ZDUSSCGKSA-N 0 3 243.354 3.220 20 0 BGADHN CCN(Cc1cnc2ccccc2c1)C1CC1 ZINC000271062951 351398724 /nfs/dbraw/zinc/39/87/24/351398724.db2.gz YXWAUFYDWQXIRZ-UHFFFAOYSA-N 0 3 226.323 3.219 20 0 BGADHN Cc1ncsc1CN(C)[C@@H](C)CC(C)C ZINC000271076176 180313114 /nfs/dbraw/zinc/31/31/14/180313114.db2.gz RQZQWMHDOPLOMD-JTQLQIEISA-N 0 3 226.389 3.318 20 0 BGADHN Cc1ncsc1CN(C)[C@H](C)CC(C)C ZINC000271076177 180315383 /nfs/dbraw/zinc/31/53/83/180315383.db2.gz RQZQWMHDOPLOMD-SNVBAGLBSA-N 0 3 226.389 3.318 20 0 BGADHN CC(C)N(Cc1cccs1)Cc1cccn1C ZINC000271079160 385782576 /nfs/dbraw/zinc/78/25/76/385782576.db2.gz QANRJIMVWGTHOP-UHFFFAOYSA-N 0 3 248.395 3.497 20 0 BGADHN CCC[C@@H](C)N(C)Cc1ccccc1NC(C)=O ZINC000271083798 169365026 /nfs/dbraw/zinc/36/50/26/169365026.db2.gz SABKCIQBXYCXIJ-GFCCVEGCSA-N 0 3 248.370 3.265 20 0 BGADHN CCC[C@H](C)N(C)Cc1ccccc1NC(C)=O ZINC000271083800 385783797 /nfs/dbraw/zinc/78/37/97/385783797.db2.gz SABKCIQBXYCXIJ-LBPRGKRZSA-N 0 3 248.370 3.265 20 0 BGADHN CCC[C@@H](C)N(C)Cc1ccc(COC)o1 ZINC000271083877 169365549 /nfs/dbraw/zinc/36/55/49/169365549.db2.gz SJNPPZUATYRHEZ-LLVKDONJSA-N 0 3 225.332 3.046 20 0 BGADHN CCC[C@H](C)N(C)Cc1ccc(COC)o1 ZINC000271083878 385784653 /nfs/dbraw/zinc/78/46/53/385784653.db2.gz SJNPPZUATYRHEZ-NSHDSACASA-N 0 3 225.332 3.046 20 0 BGADHN CCc1ncc(CN(CC)CC(C)C)s1 ZINC000271091275 385785290 /nfs/dbraw/zinc/78/52/90/385785290.db2.gz WFDMVWYPHTYFAS-UHFFFAOYSA-N 0 3 226.389 3.183 20 0 BGADHN Cc1ccc(OC(F)F)c(CN(C)C2CC2)c1 ZINC000271094196 385785909 /nfs/dbraw/zinc/78/59/09/385785909.db2.gz XWWBBKJWDWNBFH-UHFFFAOYSA-N 0 3 241.281 3.191 20 0 BGADHN CCN(CCc1cccs1)Cc1cccn1C ZINC000271109841 385788027 /nfs/dbraw/zinc/78/80/27/385788027.db2.gz ZPZJEILBHSKKMG-UHFFFAOYSA-N 0 3 248.395 3.151 20 0 BGADHN CN(Cc1cnc2ccccc2c1)CC1CC1 ZINC000271133468 397963424 /nfs/dbraw/zinc/96/34/24/397963424.db2.gz RGJXXFSKWGSQSQ-UHFFFAOYSA-N 0 3 226.323 3.077 20 0 BGADHN CCC1CCN(Cc2scnc2C)CC1 ZINC000271139339 385791393 /nfs/dbraw/zinc/79/13/93/385791393.db2.gz WBWDWVYQHABHJE-UHFFFAOYSA-N 0 3 224.373 3.074 20 0 BGADHN COCc1ccc(CN2CCC[C@H]3CCC[C@H]32)o1 ZINC000271140825 385791423 /nfs/dbraw/zinc/79/14/23/385791423.db2.gz PDKVKPIJOMPINL-IUODEOHRSA-N 0 3 249.354 3.191 20 0 BGADHN COCc1ccc(CN2CCC[C@@H]3CCC[C@H]32)o1 ZINC000271140827 385793341 /nfs/dbraw/zinc/79/33/41/385793341.db2.gz PDKVKPIJOMPINL-SWLSCSKDSA-N 0 3 249.354 3.191 20 0 BGADHN Cn1cccc1CN1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000271145675 385791829 /nfs/dbraw/zinc/79/18/29/385791829.db2.gz RJCMKLVLYOGYHA-KKNUOHPOSA-N 0 3 244.382 3.036 20 0 BGADHN Cc1ncsc1CN(C)[C@@H]1CC[C@H](C)C1 ZINC000271148729 180316965 /nfs/dbraw/zinc/31/69/65/180316965.db2.gz JHWYKYIJKIWPPL-GXSJLCMTSA-N 0 3 224.373 3.072 20 0 BGADHN Cc1ncsc1CN(C)[C@H]1CC[C@@H](C)C1 ZINC000271148731 180317074 /nfs/dbraw/zinc/31/70/74/180317074.db2.gz JHWYKYIJKIWPPL-KOLCDFICSA-N 0 3 224.373 3.072 20 0 BGADHN Cc1ncsc1CN(C)[C@@H]1CC[C@@H](C)C1 ZINC000271148732 180317077 /nfs/dbraw/zinc/31/70/77/180317077.db2.gz JHWYKYIJKIWPPL-MWLCHTKSSA-N 0 3 224.373 3.072 20 0 BGADHN Cc1ncsc1CN(C)[C@H]1CC[C@H](C)C1 ZINC000271148734 180315760 /nfs/dbraw/zinc/31/57/60/180315760.db2.gz JHWYKYIJKIWPPL-ONGXEEELSA-N 0 3 224.373 3.072 20 0 BGADHN Cc1ncsc1CN1CC[C@@H](C)C[C@H]1C ZINC000271153038 351406629 /nfs/dbraw/zinc/40/66/29/351406629.db2.gz GGGOYOHILNODLE-NXEZZACHSA-N 0 3 224.373 3.072 20 0 BGADHN CC(C)(C)[C@H]1CCCN1Cc1cncs1 ZINC000271158200 411429698 /nfs/dbraw/zinc/42/96/98/411429698.db2.gz OGAGTSVDTILYJE-LLVKDONJSA-N 0 3 224.373 3.154 20 0 BGADHN CC(C)(C)[C@@H]1CCCN1Cc1cncs1 ZINC000271158204 411429803 /nfs/dbraw/zinc/42/98/03/411429803.db2.gz OGAGTSVDTILYJE-NSHDSACASA-N 0 3 224.373 3.154 20 0 BGADHN Cc1ncc(CN(C)[C@@H]2CC[C@H](C)C2)s1 ZINC000271159602 180140934 /nfs/dbraw/zinc/14/09/34/180140934.db2.gz PBIJJKYKVHKMHO-GXSJLCMTSA-N 0 3 224.373 3.072 20 0 BGADHN Cc1ncc(CN(C)[C@H]2CC[C@@H](C)C2)s1 ZINC000271159603 180141173 /nfs/dbraw/zinc/14/11/73/180141173.db2.gz PBIJJKYKVHKMHO-KOLCDFICSA-N 0 3 224.373 3.072 20 0 BGADHN Cc1ncc(CN(C)[C@@H]2CC[C@@H](C)C2)s1 ZINC000271159605 180140098 /nfs/dbraw/zinc/14/00/98/180140098.db2.gz PBIJJKYKVHKMHO-MWLCHTKSSA-N 0 3 224.373 3.072 20 0 BGADHN Cc1ncc(CN(C)[C@H]2CC[C@H](C)C2)s1 ZINC000271159607 180139280 /nfs/dbraw/zinc/13/92/80/180139280.db2.gz PBIJJKYKVHKMHO-ONGXEEELSA-N 0 3 224.373 3.072 20 0 BGADHN Cn1ccc(CN2CC3C[C@@H]4CC2C[C@H](C3)C4)c1 ZINC000271161068 397964594 /nfs/dbraw/zinc/96/45/94/397964594.db2.gz XPXMXFJDNSRLPW-PJPHBNEVSA-N 0 3 244.382 3.036 20 0 BGADHN Fc1cccc([C@@H]2CCN(Cc3ccco3)C2)c1 ZINC000271162468 187335913 /nfs/dbraw/zinc/33/59/13/187335913.db2.gz LTGKGYKMPAPOFV-CYBMUJFWSA-N 0 3 245.297 3.408 20 0 BGADHN Fc1cccc([C@H]2CCN(Cc3ccco3)C2)c1 ZINC000271162471 181003676 /nfs/dbraw/zinc/00/36/76/181003676.db2.gz LTGKGYKMPAPOFV-ZDUSSCGKSA-N 0 3 245.297 3.408 20 0 BGADHN CCC1(O)CCN(Cc2ccc(C)c(C)c2)CC1 ZINC000271162771 397964764 /nfs/dbraw/zinc/96/47/64/397964764.db2.gz BDGNIFFFKSEPNQ-UHFFFAOYSA-N 0 3 247.382 3.040 20 0 BGADHN C[C@@H]1CN(Cc2cccc3cc[nH]c32)CCS1 ZINC000271165835 176306428 /nfs/dbraw/zinc/30/64/28/176306428.db2.gz RWOUVGNIRKHNTB-LLVKDONJSA-N 0 3 246.379 3.105 20 0 BGADHN CN(Cc1cnc2ccccc2c1)C1CCC1 ZINC000271170524 385795977 /nfs/dbraw/zinc/79/59/77/385795977.db2.gz HRAYLHAADOVQNP-UHFFFAOYSA-N 0 3 226.323 3.219 20 0 BGADHN CCN(Cc1ccc(OC)cc1OC)C1CCC1 ZINC000271178393 351408003 /nfs/dbraw/zinc/40/80/03/351408003.db2.gz GOUWAKADWIOYLH-UHFFFAOYSA-N 0 3 249.354 3.078 20 0 BGADHN CC1=CCN(Cc2cnc3ccccc3c2)CC1 ZINC000271183165 168115843 /nfs/dbraw/zinc/11/58/43/168115843.db2.gz MCEADDBZSQCIRM-UHFFFAOYSA-N 0 3 238.334 3.387 20 0 BGADHN COCc1ccc(CN2CCC[C@@H](C)[C@@H]2C)o1 ZINC000271188212 385799264 /nfs/dbraw/zinc/79/92/64/385799264.db2.gz RFAQCUMOKCFLDJ-NEPJUHHUSA-N 0 3 237.343 3.046 20 0 BGADHN COCc1ccc(CN2CCC[C@H](C)[C@@H]2C)o1 ZINC000271188215 385800522 /nfs/dbraw/zinc/80/05/22/385800522.db2.gz RFAQCUMOKCFLDJ-RYUDHWBXSA-N 0 3 237.343 3.046 20 0 BGADHN Cc1ccsc1CN1CC=C(C)CC1 ZINC000271189385 168113942 /nfs/dbraw/zinc/11/39/42/168113942.db2.gz OLRTYXFTHYGWLV-UHFFFAOYSA-N 0 3 207.342 3.209 20 0 BGADHN C[C@@H]1CN(Cc2ccn(C)c2)[C@H]1c1ccccc1 ZINC000271193469 176308719 /nfs/dbraw/zinc/30/87/19/176308719.db2.gz GZFAXNFYARQBQK-CZUORRHYSA-N 0 3 240.350 3.218 20 0 BGADHN C[C@H]1CN(Cc2ccn(C)c2)[C@H]1c1ccccc1 ZINC000271193474 177267918 /nfs/dbraw/zinc/26/79/18/177267918.db2.gz GZFAXNFYARQBQK-XJKSGUPXSA-N 0 3 240.350 3.218 20 0 BGADHN CCCn1nc(C)c(CN2CC=C(C)CC2)c1C ZINC000271195921 385804213 /nfs/dbraw/zinc/80/42/13/385804213.db2.gz REGVAQFZSITQJR-UHFFFAOYSA-N 0 3 247.386 3.062 20 0 BGADHN CC1=CCN(Cc2ccc3ncccc3c2)CC1 ZINC000271197262 168114191 /nfs/dbraw/zinc/11/41/91/168114191.db2.gz RQMPUUCMBXSEKE-UHFFFAOYSA-N 0 3 238.334 3.387 20 0 BGADHN CCc1ncc(CN2CCCC2(C)C)s1 ZINC000271197636 172016752 /nfs/dbraw/zinc/01/67/52/172016752.db2.gz VCKBJMZAGFJLNL-UHFFFAOYSA-N 0 3 224.373 3.080 20 0 BGADHN CCc1ccc(CN(C)CCCOC(C)C)o1 ZINC000271200536 385803379 /nfs/dbraw/zinc/80/33/79/385803379.db2.gz PSXUSORYTWOFPR-UHFFFAOYSA-N 0 3 239.359 3.089 20 0 BGADHN CCC1(CC)CCN(Cc2cncs2)C1 ZINC000271201170 385802700 /nfs/dbraw/zinc/80/27/00/385802700.db2.gz UGFGZWBRSOYSGY-UHFFFAOYSA-N 0 3 224.373 3.155 20 0 BGADHN Fc1ccccc1[C@@H]1CCN(Cc2ccco2)C1 ZINC000271205070 188376514 /nfs/dbraw/zinc/37/65/14/188376514.db2.gz VTGUMKPWOTYZEI-GFCCVEGCSA-N 0 3 245.297 3.408 20 0 BGADHN Fc1ccccc1[C@H]1CCN(Cc2ccco2)C1 ZINC000271205071 385803830 /nfs/dbraw/zinc/80/38/30/385803830.db2.gz VTGUMKPWOTYZEI-LBPRGKRZSA-N 0 3 245.297 3.408 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CN[C@@H]2CCO[C@H](C)C2)o1 ZINC000271208676 385805943 /nfs/dbraw/zinc/80/59/43/385805943.db2.gz CUGYEHLWBXKRBO-BYNQJWBRSA-N 0 3 249.354 3.060 20 0 BGADHN C[C@H]1C[C@H]1c1ccc(CN[C@@H]2CCO[C@H](C)C2)o1 ZINC000271208678 177387082 /nfs/dbraw/zinc/38/70/82/177387082.db2.gz CUGYEHLWBXKRBO-FMCLSXCISA-N 0 3 249.354 3.060 20 0 BGADHN C[C@@H]1C[C@H]1c1ccc(CN[C@@H]2CCO[C@H](C)C2)o1 ZINC000271208680 385806452 /nfs/dbraw/zinc/80/64/52/385806452.db2.gz CUGYEHLWBXKRBO-HKUMRIAESA-N 0 3 249.354 3.060 20 0 BGADHN C[C@H]1C[C@@H]1c1ccc(CN[C@@H]2CCO[C@H](C)C2)o1 ZINC000271208682 177351666 /nfs/dbraw/zinc/35/16/66/177351666.db2.gz CUGYEHLWBXKRBO-SFTQSGBHSA-N 0 3 249.354 3.060 20 0 BGADHN CC1=CCN(CC2=Cc3ccccc3OC2)CC1 ZINC000271210579 168109289 /nfs/dbraw/zinc/10/92/89/168109289.db2.gz YCULVXZDLYJBAN-UHFFFAOYSA-N 0 3 241.334 3.114 20 0 BGADHN CO[C@H]1CCN(Cc2cc3ccccc3s2)C1 ZINC000271211804 385806112 /nfs/dbraw/zinc/80/61/12/385806112.db2.gz YSNCIRIOQUDKQD-LBPRGKRZSA-N 0 3 247.363 3.122 20 0 BGADHN CN(Cc1ccc(Br)o1)C1CCC1 ZINC000271234600 387442612 /nfs/dbraw/zinc/44/26/12/387442612.db2.gz CBUSSHYVFLEQLU-UHFFFAOYSA-N 0 3 244.132 3.026 20 0 BGADHN CN(CCC1CC1)Cc1cnc2ccccc2c1 ZINC000271246781 385810672 /nfs/dbraw/zinc/81/06/72/385810672.db2.gz CKULZGJWRGGVHC-UHFFFAOYSA-N 0 3 240.350 3.467 20 0 BGADHN CC(C)(C)C1=CCN(CC2=CCCOC2)CC1 ZINC000271248930 385810913 /nfs/dbraw/zinc/81/09/13/385810913.db2.gz DEIVJXDOEIULIH-UHFFFAOYSA-N 0 3 235.371 3.011 20 0 BGADHN C[C@@H]1CCN(Cc2ccncc2)CC12CCC2 ZINC000271281902 176177856 /nfs/dbraw/zinc/17/78/56/176177856.db2.gz AHDAGKWNIILWRI-CYBMUJFWSA-N 0 3 230.355 3.094 20 0 BGADHN C[C@H]1CCN(Cc2ccncc2)CC12CCC2 ZINC000271281904 177166291 /nfs/dbraw/zinc/16/62/91/177166291.db2.gz AHDAGKWNIILWRI-ZDUSSCGKSA-N 0 3 230.355 3.094 20 0 BGADHN C[C@@H]1CCN(Cc2ccccn2)CC12CCC2 ZINC000271336868 176176341 /nfs/dbraw/zinc/17/63/41/176176341.db2.gz MTAHSODJRXBRIY-CYBMUJFWSA-N 0 3 230.355 3.094 20 0 BGADHN C[C@H]1CCN(Cc2ccccn2)CC12CCC2 ZINC000271336872 177165192 /nfs/dbraw/zinc/16/51/92/177165192.db2.gz MTAHSODJRXBRIY-ZDUSSCGKSA-N 0 3 230.355 3.094 20 0 BGADHN Cc1cnc(CN2C[C@H](C)CC2(C)C)s1 ZINC000271357190 385821690 /nfs/dbraw/zinc/82/16/90/385821690.db2.gz KOEGEDUKGYSMSD-SECBINFHSA-N 0 3 224.373 3.072 20 0 BGADHN Cc1cnc(CN2C[C@@H](C)CC2(C)C)s1 ZINC000271357194 385820986 /nfs/dbraw/zinc/82/09/86/385820986.db2.gz KOEGEDUKGYSMSD-VIFPVBQESA-N 0 3 224.373 3.072 20 0 BGADHN Cc1ccncc1[C@@H](C)NCc1cccs1 ZINC000271358438 384591119 /nfs/dbraw/zinc/59/11/19/384591119.db2.gz IGQRVPGAWSUCDR-LLVKDONJSA-N 0 3 232.352 3.302 20 0 BGADHN Cc1ccncc1[C@H](C)NCc1cccs1 ZINC000271358444 384590595 /nfs/dbraw/zinc/59/05/95/384590595.db2.gz IGQRVPGAWSUCDR-NSHDSACASA-N 0 3 232.352 3.302 20 0 BGADHN Cc1n[nH]c(C)c1CN1CC=C(C(C)(C)C)CC1 ZINC000271360173 385821517 /nfs/dbraw/zinc/82/15/17/385821517.db2.gz QSTJPNZOYINRFY-UHFFFAOYSA-N 0 3 247.386 3.205 20 0 BGADHN Cc1ccsc1CN(C(C)C)[C@@H]1CCOC1 ZINC000271365988 385820707 /nfs/dbraw/zinc/82/07/07/385820707.db2.gz OJDWYMWPESSQCF-GFCCVEGCSA-N 0 3 239.384 3.056 20 0 BGADHN Cc1ccsc1CN(C(C)C)[C@H]1CCOC1 ZINC000271365989 385821700 /nfs/dbraw/zinc/82/17/00/385821700.db2.gz OJDWYMWPESSQCF-LBPRGKRZSA-N 0 3 239.384 3.056 20 0 BGADHN CN(Cc1ccco1)[C@H]1C[C@@H]1c1ccccc1 ZINC000271402119 397967162 /nfs/dbraw/zinc/96/71/62/397967162.db2.gz VYIQXGIWLRGLEK-CABCVRRESA-N 0 3 227.307 3.268 20 0 BGADHN CN(Cc1ccco1)[C@H]1C[C@H]1c1ccccc1 ZINC000271402125 397967002 /nfs/dbraw/zinc/96/70/02/397967002.db2.gz VYIQXGIWLRGLEK-GJZGRUSLSA-N 0 3 227.307 3.268 20 0 BGADHN CN(Cc1ccco1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000271402129 397967259 /nfs/dbraw/zinc/96/72/59/397967259.db2.gz VYIQXGIWLRGLEK-HUUCEWRRSA-N 0 3 227.307 3.268 20 0 BGADHN CN(Cc1ccco1)[C@@H]1C[C@H]1c1ccccc1 ZINC000271402134 397967290 /nfs/dbraw/zinc/96/72/90/397967290.db2.gz VYIQXGIWLRGLEK-LSDHHAIUSA-N 0 3 227.307 3.268 20 0 BGADHN c1ccc2ncc(CN3CCCCC3)cc2c1 ZINC000271417777 389020175 /nfs/dbraw/zinc/02/01/75/389020175.db2.gz YTOYIUADKOYNED-UHFFFAOYSA-N 0 3 226.323 3.221 20 0 BGADHN C[C@H](NCCCc1nccs1)c1ccco1 ZINC000271422893 384596437 /nfs/dbraw/zinc/59/64/37/384596437.db2.gz ARPCSJPAJMBCPN-JTQLQIEISA-N 0 3 236.340 3.020 20 0 BGADHN C[C@@H](NCCCc1nccs1)c1ccco1 ZINC000271422895 384597308 /nfs/dbraw/zinc/59/73/08/384597308.db2.gz ARPCSJPAJMBCPN-SNVBAGLBSA-N 0 3 236.340 3.020 20 0 BGADHN CCCCN(Cc1ncccc1C)C1CC1 ZINC000271452739 385830352 /nfs/dbraw/zinc/83/03/52/385830352.db2.gz FAUHYJCVHLUUHE-UHFFFAOYSA-N 0 3 218.344 3.155 20 0 BGADHN CC[C@@H]1CC[C@H](C)N1Cc1cn2ccccc2n1 ZINC000271456916 171054433 /nfs/dbraw/zinc/05/44/33/171054433.db2.gz DOHHQYNFYWPLTF-GXTWGEPZSA-N 0 3 243.354 3.097 20 0 BGADHN CC[C@H]1CC[C@H](C)N1Cc1cn2ccccc2n1 ZINC000271456918 385830464 /nfs/dbraw/zinc/83/04/64/385830464.db2.gz DOHHQYNFYWPLTF-JSGCOSHPSA-N 0 3 243.354 3.097 20 0 BGADHN CC[C@H]1CC[C@@H](C)N1Cc1cn2ccccc2n1 ZINC000271456920 385830976 /nfs/dbraw/zinc/83/09/76/385830976.db2.gz DOHHQYNFYWPLTF-OCCSQVGLSA-N 0 3 243.354 3.097 20 0 BGADHN CC[C@@H]1CC[C@@H](C)N1Cc1cn2ccccc2n1 ZINC000271456922 171038498 /nfs/dbraw/zinc/03/84/98/171038498.db2.gz DOHHQYNFYWPLTF-TZMCWYRMSA-N 0 3 243.354 3.097 20 0 BGADHN Cc1cnc(CN2CCC[C@@H]2C(C)C)s1 ZINC000271465849 385830665 /nfs/dbraw/zinc/83/06/65/385830665.db2.gz GOCHSZYFCVBWCW-LLVKDONJSA-N 0 3 224.373 3.072 20 0 BGADHN Cc1cnc(CN2CCC[C@H]2C(C)C)s1 ZINC000271465851 385830778 /nfs/dbraw/zinc/83/07/78/385830778.db2.gz GOCHSZYFCVBWCW-NSHDSACASA-N 0 3 224.373 3.072 20 0 BGADHN Cc1ccc(CCN[C@H](C)c2cncs2)cc1 ZINC000271470451 385830070 /nfs/dbraw/zinc/83/00/70/385830070.db2.gz LTCIPNYFVBPNDC-GFCCVEGCSA-N 0 3 246.379 3.345 20 0 BGADHN Cc1ccc(CCN[C@@H](C)c2cncs2)cc1 ZINC000271470453 385829753 /nfs/dbraw/zinc/82/97/53/385829753.db2.gz LTCIPNYFVBPNDC-LBPRGKRZSA-N 0 3 246.379 3.345 20 0 BGADHN Cc1ccc(CN(C(C)C)[C@@H]2CCOC2)s1 ZINC000271471143 385831972 /nfs/dbraw/zinc/83/19/72/385831972.db2.gz ZGTQCBCQACYWNB-GFCCVEGCSA-N 0 3 239.384 3.056 20 0 BGADHN Cc1ccc(CN(C(C)C)[C@H]2CCOC2)s1 ZINC000271471146 385831562 /nfs/dbraw/zinc/83/15/62/385831562.db2.gz ZGTQCBCQACYWNB-LBPRGKRZSA-N 0 3 239.384 3.056 20 0 BGADHN COc1ccc2c(c1)[C@@H](NC1CCC1)CCCO2 ZINC000271481451 175214061 /nfs/dbraw/zinc/21/40/61/175214061.db2.gz NHQLVLWJNULPDU-AWEZNQCLSA-N 0 3 247.338 3.051 20 0 BGADHN COc1ccc2c(c1)[C@H](NC1CCC1)CCCO2 ZINC000271481453 175216222 /nfs/dbraw/zinc/21/62/22/175216222.db2.gz NHQLVLWJNULPDU-CQSZACIVSA-N 0 3 247.338 3.051 20 0 BGADHN Cc1ccncc1[C@@H](C)NCc1ccccc1 ZINC000271483936 385831831 /nfs/dbraw/zinc/83/18/31/385831831.db2.gz MBVJCHCUJXFMMJ-CYBMUJFWSA-N 0 3 226.323 3.241 20 0 BGADHN Cc1ccncc1[C@H](C)NCc1ccccc1 ZINC000271483937 385832246 /nfs/dbraw/zinc/83/22/46/385832246.db2.gz MBVJCHCUJXFMMJ-ZDUSSCGKSA-N 0 3 226.323 3.241 20 0 BGADHN C[C@@H](NC1CCC1)c1ccc2ccccc2n1 ZINC000271494147 385834083 /nfs/dbraw/zinc/83/40/83/385834083.db2.gz PIAAEDFMBXQDSC-LLVKDONJSA-N 0 3 226.323 3.438 20 0 BGADHN C[C@H](NC1CCC1)c1ccc2ccccc2n1 ZINC000271494150 385834617 /nfs/dbraw/zinc/83/46/17/385834617.db2.gz PIAAEDFMBXQDSC-NSHDSACASA-N 0 3 226.323 3.438 20 0 BGADHN CO[C@H](C)[C@@H](C)N[C@@H](C)c1cccc(F)c1F ZINC000271517300 487638107 /nfs/dbraw/zinc/63/81/07/487638107.db2.gz NWPDQDBWKQYIRS-KXUCPTDWSA-N 0 3 243.297 3.039 20 0 BGADHN CO[C@H](C)[C@@H](C)N[C@H](C)c1cccc(F)c1F ZINC000271517302 487638293 /nfs/dbraw/zinc/63/82/93/487638293.db2.gz NWPDQDBWKQYIRS-OPRDCNLKSA-N 0 3 243.297 3.039 20 0 BGADHN C[C@H](N[C@@H]1C[C@H]1C1CCCCC1)c1cnccn1 ZINC000271525389 397968580 /nfs/dbraw/zinc/96/85/80/397968580.db2.gz RBQJHRUKMUPHJS-FPMFFAJLSA-N 0 3 245.370 3.096 20 0 BGADHN C[C@H](N[C@H]1C[C@H]1C1CCCCC1)c1cnccn1 ZINC000271525396 397968640 /nfs/dbraw/zinc/96/86/40/397968640.db2.gz RBQJHRUKMUPHJS-UBHSHLNASA-N 0 3 245.370 3.096 20 0 BGADHN CCn1cc(CN[C@H](C)c2sccc2C)cn1 ZINC000271527388 172174178 /nfs/dbraw/zinc/17/41/78/172174178.db2.gz RHEQPLYWPHNCKT-LLVKDONJSA-N 0 3 249.383 3.124 20 0 BGADHN CCn1cc(CN[C@@H](C)c2sccc2C)cn1 ZINC000271527391 172174820 /nfs/dbraw/zinc/17/48/20/172174820.db2.gz RHEQPLYWPHNCKT-NSHDSACASA-N 0 3 249.383 3.124 20 0 BGADHN CCCN(Cc1ncc(C)s1)CC(C)C ZINC000271527920 169181924 /nfs/dbraw/zinc/18/19/24/169181924.db2.gz NTJHTWIVAGXIOA-UHFFFAOYSA-N 0 3 226.389 3.320 20 0 BGADHN Fc1ccc(F)c2c1CC[C@H]2NC1CCC1 ZINC000271528391 389021756 /nfs/dbraw/zinc/02/17/56/389021756.db2.gz WDONJVCBHHCBCP-GFCCVEGCSA-N 0 3 223.266 3.094 20 0 BGADHN Fc1ccc(F)c2c1CC[C@@H]2NC1CCC1 ZINC000271528395 389022089 /nfs/dbraw/zinc/02/20/89/389022089.db2.gz WDONJVCBHHCBCP-LBPRGKRZSA-N 0 3 223.266 3.094 20 0 BGADHN Fc1ccc2c(c1)[C@H](NC1CCC1)CCCO2 ZINC000271536592 385835911 /nfs/dbraw/zinc/83/59/11/385835911.db2.gz XQSUEHPSRCVFGY-CYBMUJFWSA-N 0 3 235.302 3.182 20 0 BGADHN Fc1ccc2c(c1)[C@@H](NC1CCC1)CCCO2 ZINC000271536593 385836900 /nfs/dbraw/zinc/83/69/00/385836900.db2.gz XQSUEHPSRCVFGY-ZDUSSCGKSA-N 0 3 235.302 3.182 20 0 BGADHN Cc1cccc([C@@H](C)N[C@H](C)c2cn[nH]c2)c1C ZINC000271538601 179181729 /nfs/dbraw/zinc/18/17/29/179181729.db2.gz QMXBPPIMFSHRPG-CHWSQXEVSA-N 0 3 243.354 3.438 20 0 BGADHN Cc1cccc([C@H](C)N[C@H](C)c2cn[nH]c2)c1C ZINC000271538603 179197419 /nfs/dbraw/zinc/19/74/19/179197419.db2.gz QMXBPPIMFSHRPG-OLZOCXBDSA-N 0 3 243.354 3.438 20 0 BGADHN Cc1cccc([C@@H](C)N[C@@H](C)c2cn[nH]c2)c1C ZINC000271538604 179181928 /nfs/dbraw/zinc/18/19/28/179181928.db2.gz QMXBPPIMFSHRPG-QWHCGFSZSA-N 0 3 243.354 3.438 20 0 BGADHN Cc1cccc([C@H](C)N[C@@H](C)c2cn[nH]c2)c1C ZINC000271538606 179197157 /nfs/dbraw/zinc/19/71/57/179197157.db2.gz QMXBPPIMFSHRPG-STQMWFEESA-N 0 3 243.354 3.438 20 0 BGADHN CCCC(C)(C)NCc1ncc(C)s1 ZINC000271542525 389022032 /nfs/dbraw/zinc/02/20/32/389022032.db2.gz PNPJWNQYUHJJJM-UHFFFAOYSA-N 0 3 212.362 3.120 20 0 BGADHN C[C@@H](N[C@@H]1CCCc2cn[nH]c21)c1ccsc1 ZINC000271544357 385836639 /nfs/dbraw/zinc/83/66/39/385836639.db2.gz TZICHXVNOYGPNR-BXKDBHETSA-N 0 3 247.367 3.199 20 0 BGADHN C[C@H](N[C@H]1CCCc2cn[nH]c21)c1ccsc1 ZINC000271544360 385837314 /nfs/dbraw/zinc/83/73/14/385837314.db2.gz TZICHXVNOYGPNR-CABZTGNLSA-N 0 3 247.367 3.199 20 0 BGADHN C[C@H](N[C@@H]1CCCc2cn[nH]c21)c1ccsc1 ZINC000271544362 385835982 /nfs/dbraw/zinc/83/59/82/385835982.db2.gz TZICHXVNOYGPNR-JOYOIKCWSA-N 0 3 247.367 3.199 20 0 BGADHN C[C@@H](N[C@H]1CCCc2cn[nH]c21)c1ccsc1 ZINC000271544365 385836314 /nfs/dbraw/zinc/83/63/14/385836314.db2.gz TZICHXVNOYGPNR-SKDRFNHKSA-N 0 3 247.367 3.199 20 0 BGADHN Cc1ccc(CCN[C@H](C)c2cscn2)cc1 ZINC000271547073 385836505 /nfs/dbraw/zinc/83/65/05/385836505.db2.gz ZMVYBWZSDXCAHA-GFCCVEGCSA-N 0 3 246.379 3.345 20 0 BGADHN Cc1ccc(CCN[C@@H](C)c2cscn2)cc1 ZINC000271547074 178535387 /nfs/dbraw/zinc/53/53/87/178535387.db2.gz ZMVYBWZSDXCAHA-LBPRGKRZSA-N 0 3 246.379 3.345 20 0 BGADHN Cc1ccncc1[C@@H](C)NCc1ccc(F)cc1 ZINC000271551633 385837135 /nfs/dbraw/zinc/83/71/35/385837135.db2.gz UPIZGENFTATLSX-GFCCVEGCSA-N 0 3 244.313 3.380 20 0 BGADHN Cc1ccncc1[C@H](C)NCc1ccc(F)cc1 ZINC000271551635 385836176 /nfs/dbraw/zinc/83/61/76/385836176.db2.gz UPIZGENFTATLSX-LBPRGKRZSA-N 0 3 244.313 3.380 20 0 BGADHN Cc1ccc2c(c1)CC[C@@H]2N[C@H](C)c1cn[nH]c1 ZINC000271553344 385836583 /nfs/dbraw/zinc/83/65/83/385836583.db2.gz SKYHYBYURICNNF-ABAIWWIYSA-N 0 3 241.338 3.056 20 0 BGADHN Cc1ccc2c(c1)CC[C@H]2N[C@H](C)c1cn[nH]c1 ZINC000271553346 188026101 /nfs/dbraw/zinc/02/61/01/188026101.db2.gz SKYHYBYURICNNF-IAQYHMDHSA-N 0 3 241.338 3.056 20 0 BGADHN Cc1ccc2c(c1)CC[C@@H]2N[C@@H](C)c1cn[nH]c1 ZINC000271553348 385836017 /nfs/dbraw/zinc/83/60/17/385836017.db2.gz SKYHYBYURICNNF-NHYWBVRUSA-N 0 3 241.338 3.056 20 0 BGADHN Cc1ccc2c(c1)CC[C@H]2N[C@@H](C)c1cn[nH]c1 ZINC000271553350 188199435 /nfs/dbraw/zinc/19/94/35/188199435.db2.gz SKYHYBYURICNNF-XHDPSFHLSA-N 0 3 241.338 3.056 20 0 BGADHN CC[C@@H]1CC[C@@H](C)N1Cc1csc(C)n1 ZINC000271561416 171039126 /nfs/dbraw/zinc/03/91/26/171039126.db2.gz PTBNBOYZNPACTH-BXKDBHETSA-N 0 3 224.373 3.214 20 0 BGADHN CC[C@H]1CC[C@H](C)N1Cc1csc(C)n1 ZINC000271561419 385838325 /nfs/dbraw/zinc/83/83/25/385838325.db2.gz PTBNBOYZNPACTH-CABZTGNLSA-N 0 3 224.373 3.214 20 0 BGADHN CC[C@@H]1CC[C@H](C)N1Cc1csc(C)n1 ZINC000271561422 171053771 /nfs/dbraw/zinc/05/37/71/171053771.db2.gz PTBNBOYZNPACTH-JOYOIKCWSA-N 0 3 224.373 3.214 20 0 BGADHN CC[C@H]1CC[C@@H](C)N1Cc1csc(C)n1 ZINC000271561426 385838214 /nfs/dbraw/zinc/83/82/14/385838214.db2.gz PTBNBOYZNPACTH-SKDRFNHKSA-N 0 3 224.373 3.214 20 0 BGADHN CCc1ccc([C@H](C)N[C@@H]2CCO[C@H](C)C2)o1 ZINC000271575107 385838876 /nfs/dbraw/zinc/83/88/76/385838876.db2.gz WESHYYUNEBMTTA-GRYCIOLGSA-N 0 3 237.343 3.060 20 0 BGADHN CCc1ccc([C@H](C)N[C@@H]2CCO[C@@H](C)C2)o1 ZINC000271575110 385838057 /nfs/dbraw/zinc/83/80/57/385838057.db2.gz WESHYYUNEBMTTA-SDDRHHMPSA-N 0 3 237.343 3.060 20 0 BGADHN CCc1ccc([C@H](C)N[C@H]2CCO[C@@H](C)C2)o1 ZINC000271575112 385838945 /nfs/dbraw/zinc/83/89/45/385838945.db2.gz WESHYYUNEBMTTA-SRVKXCTJSA-N 0 3 237.343 3.060 20 0 BGADHN CCc1ccc([C@H](C)N[C@H]2CCO[C@H](C)C2)o1 ZINC000271575115 385838548 /nfs/dbraw/zinc/83/85/48/385838548.db2.gz WESHYYUNEBMTTA-WOPDTQHZSA-N 0 3 237.343 3.060 20 0 BGADHN CCCC[C@H]1CCC[C@H]1NCc1cc(C)ncn1 ZINC000271585347 169014130 /nfs/dbraw/zinc/01/41/30/169014130.db2.gz XMOMPZSADSJTPQ-DZGCQCFKSA-N 0 3 247.386 3.234 20 0 BGADHN CCCC[C@@H]1CCC[C@@H]1NCc1cc(C)ncn1 ZINC000271585350 351423936 /nfs/dbraw/zinc/42/39/36/351423936.db2.gz XMOMPZSADSJTPQ-HIFRSBDPSA-N 0 3 247.386 3.234 20 0 BGADHN CCCC[C@@H]1CCC[C@H]1NCc1cc(C)ncn1 ZINC000271585351 351424214 /nfs/dbraw/zinc/42/42/14/351424214.db2.gz XMOMPZSADSJTPQ-UKRRQHHQSA-N 0 3 247.386 3.234 20 0 BGADHN CCCC[C@H]1CCC[C@@H]1NCc1cc(C)ncn1 ZINC000271585354 169014277 /nfs/dbraw/zinc/01/42/77/169014277.db2.gz XMOMPZSADSJTPQ-ZFWWWQNUSA-N 0 3 247.386 3.234 20 0 BGADHN CC[C@@H]1CC[C@H](C)N1Cc1ncc(C)s1 ZINC000271601624 171054856 /nfs/dbraw/zinc/05/48/56/171054856.db2.gz VGFSHXPMIBCXLR-GXSJLCMTSA-N 0 3 224.373 3.214 20 0 BGADHN CC[C@H]1CC[C@@H](C)N1Cc1ncc(C)s1 ZINC000271601629 397969744 /nfs/dbraw/zinc/96/97/44/397969744.db2.gz VGFSHXPMIBCXLR-KOLCDFICSA-N 0 3 224.373 3.214 20 0 BGADHN CC[C@@H]1CC[C@@H](C)N1Cc1ncc(C)s1 ZINC000271601634 171038550 /nfs/dbraw/zinc/03/85/50/171038550.db2.gz VGFSHXPMIBCXLR-MWLCHTKSSA-N 0 3 224.373 3.214 20 0 BGADHN CC[C@H]1CC[C@H](C)N1Cc1ncc(C)s1 ZINC000271601637 397969714 /nfs/dbraw/zinc/96/97/14/397969714.db2.gz VGFSHXPMIBCXLR-ONGXEEELSA-N 0 3 224.373 3.214 20 0 BGADHN CCC1CCN(Cc2ncccc2C)CC1 ZINC000271606950 397970077 /nfs/dbraw/zinc/97/00/77/397970077.db2.gz ZJZDRFKQUYQGLR-UHFFFAOYSA-N 0 3 218.344 3.012 20 0 BGADHN C[C@@H](NCCF)c1ccc2ccccc2c1 ZINC000271612347 385840719 /nfs/dbraw/zinc/84/07/19/385840719.db2.gz CLUZJJLNFCRRQC-LLVKDONJSA-N 0 3 217.287 3.460 20 0 BGADHN C[C@H](NCCF)c1ccc2ccccc2c1 ZINC000271612350 385841994 /nfs/dbraw/zinc/84/19/94/385841994.db2.gz CLUZJJLNFCRRQC-NSHDSACASA-N 0 3 217.287 3.460 20 0 BGADHN CC[C@@H]1CC[C@@H](C)N1Cc1nc(C)cs1 ZINC000271614533 171038006 /nfs/dbraw/zinc/03/80/06/171038006.db2.gz WWANHFADHDEQBD-GHMZBOCLSA-N 0 3 224.373 3.214 20 0 BGADHN CC[C@H]1CC[C@@H](C)N1Cc1nc(C)cs1 ZINC000271614537 385841132 /nfs/dbraw/zinc/84/11/32/385841132.db2.gz WWANHFADHDEQBD-MNOVXSKESA-N 0 3 224.373 3.214 20 0 BGADHN CC[C@H]1CC[C@H](C)N1Cc1nc(C)cs1 ZINC000271614539 385840572 /nfs/dbraw/zinc/84/05/72/385840572.db2.gz WWANHFADHDEQBD-QWRGUYRKSA-N 0 3 224.373 3.214 20 0 BGADHN CC[C@@H]1CC[C@H](C)N1Cc1nc(C)cs1 ZINC000271614541 171054420 /nfs/dbraw/zinc/05/44/20/171054420.db2.gz WWANHFADHDEQBD-WDEREUQCSA-N 0 3 224.373 3.214 20 0 BGADHN C[C@@H](NCCF)c1cccc2ccccc21 ZINC000271624070 385840731 /nfs/dbraw/zinc/84/07/31/385840731.db2.gz DQYLTWFSHSYYTA-LLVKDONJSA-N 0 3 217.287 3.460 20 0 BGADHN C[C@H](NCCF)c1cccc2ccccc21 ZINC000271624071 385840589 /nfs/dbraw/zinc/84/05/89/385840589.db2.gz DQYLTWFSHSYYTA-NSHDSACASA-N 0 3 217.287 3.460 20 0 BGADHN COC1(C)CCN(C/C=C/c2ccccc2)CC1 ZINC000271717500 397971481 /nfs/dbraw/zinc/97/14/81/397971481.db2.gz KFDUPQZVVUXXBW-RMKNXTFCSA-N 0 3 245.366 3.201 20 0 BGADHN COc1cccc(C2(NCC=C(C)C)CC2)c1 ZINC000271748132 175248426 /nfs/dbraw/zinc/24/84/26/175248426.db2.gz XWCOMTRNUJCAHI-UHFFFAOYSA-N 0 3 231.339 3.240 20 0 BGADHN CCCCN(Cc1cccc2nccn21)C1CC1 ZINC000271749964 385848270 /nfs/dbraw/zinc/84/82/70/385848270.db2.gz UVNBYTUWJJRDFC-UHFFFAOYSA-N 0 3 243.354 3.099 20 0 BGADHN COc1ccc2cc([C@@H](C)NCCF)ccc2c1 ZINC000271752650 175224462 /nfs/dbraw/zinc/22/44/62/175224462.db2.gz LATDRBAVGMLAMT-LLVKDONJSA-N 0 3 247.313 3.469 20 0 BGADHN COc1ccc2cc([C@H](C)NCCF)ccc2c1 ZINC000271752652 175224621 /nfs/dbraw/zinc/22/46/21/175224621.db2.gz LATDRBAVGMLAMT-NSHDSACASA-N 0 3 247.313 3.469 20 0 BGADHN CC[C@@H](NCCF)c1cccc(Cl)c1 ZINC000271756599 170894763 /nfs/dbraw/zinc/89/47/63/170894763.db2.gz LTNAEIBMVUUHLT-LLVKDONJSA-N 0 3 215.699 3.350 20 0 BGADHN CC[C@H](NCCF)c1cccc(Cl)c1 ZINC000271756601 389023575 /nfs/dbraw/zinc/02/35/75/389023575.db2.gz LTNAEIBMVUUHLT-NSHDSACASA-N 0 3 215.699 3.350 20 0 BGADHN Fc1cccc(C2(NCCC(F)(F)F)CC2)c1 ZINC000271784653 397974559 /nfs/dbraw/zinc/97/45/59/397974559.db2.gz MCIHNLVKZFQVHW-UHFFFAOYSA-N 0 3 247.235 3.357 20 0 BGADHN OCCC[C@H](N[C@@H]1C=CCCC1)c1ccccc1 ZINC000271786099 183062860 /nfs/dbraw/zinc/06/28/60/183062860.db2.gz MJOQAPFVFWTQAT-CVEARBPZSA-N 0 3 245.366 3.199 20 0 BGADHN OCCC[C@H](N[C@H]1C=CCCC1)c1ccccc1 ZINC000271786102 183062955 /nfs/dbraw/zinc/06/29/55/183062955.db2.gz MJOQAPFVFWTQAT-HOTGVXAUSA-N 0 3 245.366 3.199 20 0 BGADHN OCCC[C@@H](N[C@@H]1C=CCCC1)c1ccccc1 ZINC000271786105 183063485 /nfs/dbraw/zinc/06/34/85/183063485.db2.gz MJOQAPFVFWTQAT-HZPDHXFCSA-N 0 3 245.366 3.199 20 0 BGADHN OCCC[C@@H](N[C@H]1C=CCCC1)c1ccccc1 ZINC000271786108 183063285 /nfs/dbraw/zinc/06/32/85/183063285.db2.gz MJOQAPFVFWTQAT-JKSUJKDBSA-N 0 3 245.366 3.199 20 0 BGADHN Cc1cc([C@@H](C)NCCOC(C)C)ccc1F ZINC000271806214 178225165 /nfs/dbraw/zinc/22/51/65/178225165.db2.gz QLVSTKUQXXSQSY-GFCCVEGCSA-N 0 3 239.334 3.210 20 0 BGADHN Cc1cc([C@H](C)NCCOC(C)C)ccc1F ZINC000271806217 178247069 /nfs/dbraw/zinc/24/70/69/178247069.db2.gz QLVSTKUQXXSQSY-LBPRGKRZSA-N 0 3 239.334 3.210 20 0 BGADHN C[C@@H](NCc1ccno1)C(C)(C)c1ccccc1 ZINC000271812690 385852215 /nfs/dbraw/zinc/85/22/15/385852215.db2.gz OODDGLVYRPZVTC-GFCCVEGCSA-N 0 3 244.338 3.131 20 0 BGADHN C[C@H](NCc1ccno1)C(C)(C)c1ccccc1 ZINC000271812693 385853005 /nfs/dbraw/zinc/85/30/05/385853005.db2.gz OODDGLVYRPZVTC-LBPRGKRZSA-N 0 3 244.338 3.131 20 0 BGADHN CO[C@H](C)CCN[C@H](C)c1cccc(F)c1F ZINC000271888910 389026257 /nfs/dbraw/zinc/02/62/57/389026257.db2.gz JPTZABHNWPTUOK-NXEZZACHSA-N 0 3 243.297 3.040 20 0 BGADHN CO[C@@H](C)CCN[C@@H](C)c1cccc(F)c1F ZINC000271889911 389026365 /nfs/dbraw/zinc/02/63/65/389026365.db2.gz JPTZABHNWPTUOK-UWVGGRQHSA-N 0 3 243.297 3.040 20 0 BGADHN CO[C@@H](C)CCN[C@H](C)c1cccc(F)c1F ZINC000271889912 389026908 /nfs/dbraw/zinc/02/69/08/389026908.db2.gz JPTZABHNWPTUOK-VHSXEESVSA-N 0 3 243.297 3.040 20 0 BGADHN CO[C@H](C)CCN[C@@H](C)c1cccc(F)c1F ZINC000271889913 389025161 /nfs/dbraw/zinc/02/51/61/389025161.db2.gz JPTZABHNWPTUOK-ZJUUUORDSA-N 0 3 243.297 3.040 20 0 BGADHN COc1ccc(CN(C)[C@@H]2CCC[C@H](C)C2)nc1 ZINC000271891065 175096200 /nfs/dbraw/zinc/09/62/00/175096200.db2.gz DWCDMRWESLTUCA-GXTWGEPZSA-N 0 3 248.370 3.101 20 0 BGADHN COc1ccc(CN(C)[C@H]2CCC[C@H](C)C2)nc1 ZINC000271891066 385859139 /nfs/dbraw/zinc/85/91/39/385859139.db2.gz DWCDMRWESLTUCA-JSGCOSHPSA-N 0 3 248.370 3.101 20 0 BGADHN COc1ccc(CN(C)[C@H]2CCC[C@@H](C)C2)nc1 ZINC000271891067 188025926 /nfs/dbraw/zinc/02/59/26/188025926.db2.gz DWCDMRWESLTUCA-OCCSQVGLSA-N 0 3 248.370 3.101 20 0 BGADHN COc1ccc(CN(C)[C@@H]2CCC[C@@H](C)C2)nc1 ZINC000271891068 175096351 /nfs/dbraw/zinc/09/63/51/175096351.db2.gz DWCDMRWESLTUCA-TZMCWYRMSA-N 0 3 248.370 3.101 20 0 BGADHN C[C@@H](N[C@@H](C)c1ccsc1)[C@H]1CCCCO1 ZINC000271936248 176912628 /nfs/dbraw/zinc/91/26/28/176912628.db2.gz OODIDMHVXPBUJS-DMDPSCGWSA-N 0 3 239.384 3.356 20 0 BGADHN C[C@H](N[C@@H](C)[C@H]1CCCCO1)c1ccsc1 ZINC000271936249 389027617 /nfs/dbraw/zinc/02/76/17/389027617.db2.gz OODIDMHVXPBUJS-GMXVVIOVSA-N 0 3 239.384 3.356 20 0 BGADHN C[C@H](N[C@@H](C)[C@@H]1CCCCO1)c1ccsc1 ZINC000271936250 389027802 /nfs/dbraw/zinc/02/78/02/389027802.db2.gz OODIDMHVXPBUJS-GVXVVHGQSA-N 0 3 239.384 3.356 20 0 BGADHN C[C@@H](N[C@@H](C)c1ccsc1)[C@@H]1CCCCO1 ZINC000271936251 389028511 /nfs/dbraw/zinc/02/85/11/389028511.db2.gz OODIDMHVXPBUJS-LOWVWBTDSA-N 0 3 239.384 3.356 20 0 BGADHN CC[C@@H](C)NC1(c2nc(C)cs2)CCC1 ZINC000271947810 389027897 /nfs/dbraw/zinc/02/78/97/389027897.db2.gz IQQXNAHXAINTDM-SECBINFHSA-N 0 3 224.373 3.219 20 0 BGADHN CC[C@H](C)NC1(c2nc(C)cs2)CCC1 ZINC000271947813 171339273 /nfs/dbraw/zinc/33/92/73/171339273.db2.gz IQQXNAHXAINTDM-VIFPVBQESA-N 0 3 224.373 3.219 20 0 BGADHN c1nc(CN[C@H]2CCC[C@@H]2c2ccccc2)co1 ZINC000271970374 385864404 /nfs/dbraw/zinc/86/44/04/385864404.db2.gz DNLPUVVDQWWEPZ-CABCVRRESA-N 0 3 242.322 3.101 20 0 BGADHN c1nc(CN[C@H]2CCC[C@H]2c2ccccc2)co1 ZINC000271970377 385863934 /nfs/dbraw/zinc/86/39/34/385863934.db2.gz DNLPUVVDQWWEPZ-GJZGRUSLSA-N 0 3 242.322 3.101 20 0 BGADHN c1nc(CN[C@@H]2CCC[C@@H]2c2ccccc2)co1 ZINC000271970379 385864283 /nfs/dbraw/zinc/86/42/83/385864283.db2.gz DNLPUVVDQWWEPZ-HUUCEWRRSA-N 0 3 242.322 3.101 20 0 BGADHN c1nc(CN[C@@H]2CCC[C@H]2c2ccccc2)co1 ZINC000271970380 385864423 /nfs/dbraw/zinc/86/44/23/385864423.db2.gz DNLPUVVDQWWEPZ-LSDHHAIUSA-N 0 3 242.322 3.101 20 0 BGADHN COc1ccc(CN(CCC(C)C)C2CC2)nc1 ZINC000271980321 538925185 /nfs/dbraw/zinc/92/51/85/538925185.db2.gz OJYOVOZXQAYKMP-UHFFFAOYSA-N 0 3 248.370 3.101 20 0 BGADHN C[C@@H](NC1(c2ccccc2)CC1)c1ccncc1 ZINC000272012344 385867437 /nfs/dbraw/zinc/86/74/37/385867437.db2.gz QKHZFWHFVIKXKM-CYBMUJFWSA-N 0 3 238.334 3.422 20 0 BGADHN C[C@H](NC1(c2ccccc2)CC1)c1ccncc1 ZINC000272012347 176827108 /nfs/dbraw/zinc/82/71/08/176827108.db2.gz QKHZFWHFVIKXKM-ZDUSSCGKSA-N 0 3 238.334 3.422 20 0 BGADHN COc1ccc(CN2CCC[C@H]2C(C)(C)C)nc1 ZINC000272014559 175099995 /nfs/dbraw/zinc/09/99/95/175099995.db2.gz UIQWQVAHHBNJIA-AWEZNQCLSA-N 0 3 248.370 3.101 20 0 BGADHN COc1ccc(CN2CCC[C@@H]2C(C)(C)C)nc1 ZINC000272014561 385868693 /nfs/dbraw/zinc/86/86/93/385868693.db2.gz UIQWQVAHHBNJIA-CQSZACIVSA-N 0 3 248.370 3.101 20 0 BGADHN COc1ccc(CN(C)C2CCCCCC2)nc1 ZINC000272086879 188025827 /nfs/dbraw/zinc/02/58/27/188025827.db2.gz IGXKGQYEUDUGNM-UHFFFAOYSA-N 0 3 248.370 3.245 20 0 BGADHN C[C@@H](N[C@@H]1CC1(C)C)c1ccc(Cl)nc1 ZINC000272087792 389029085 /nfs/dbraw/zinc/02/90/85/389029085.db2.gz UOMJGHGIXVVYFJ-PSASIEDQSA-N 0 3 224.735 3.184 20 0 BGADHN C[C@@H](N[C@H]1CC1(C)C)c1ccc(Cl)nc1 ZINC000272087794 389029107 /nfs/dbraw/zinc/02/91/07/389029107.db2.gz UOMJGHGIXVVYFJ-SCZZXKLOSA-N 0 3 224.735 3.184 20 0 BGADHN C[C@H](N[C@@H]1CC1(C)C)c1ccc(Cl)nc1 ZINC000272087796 389029627 /nfs/dbraw/zinc/02/96/27/389029627.db2.gz UOMJGHGIXVVYFJ-WCBMZHEXSA-N 0 3 224.735 3.184 20 0 BGADHN C[C@H](N[C@H]1CC1(C)C)c1ccc(Cl)nc1 ZINC000272089019 389029328 /nfs/dbraw/zinc/02/93/28/389029328.db2.gz UOMJGHGIXVVYFJ-WPRPVWTQSA-N 0 3 224.735 3.184 20 0 BGADHN COc1ccc(CN(C)C2CCC(C)CC2)nc1 ZINC000272117547 175094808 /nfs/dbraw/zinc/09/48/08/175094808.db2.gz OYZZEFDZNZGJCK-UHFFFAOYSA-N 0 3 248.370 3.101 20 0 BGADHN CC[C@@H]1CCC[C@@H]1NCc1cc(OC)cc(C)n1 ZINC000272176091 364749759 /nfs/dbraw/zinc/74/97/59/364749759.db2.gz XUJMGCCEHMRMOO-DOMZBBRYSA-N 0 3 248.370 3.067 20 0 BGADHN CC[C@@H]1CCC[C@H]1NCc1cc(OC)cc(C)n1 ZINC000272176092 171001008 /nfs/dbraw/zinc/00/10/08/171001008.db2.gz XUJMGCCEHMRMOO-IUODEOHRSA-N 0 3 248.370 3.067 20 0 BGADHN CC[C@H]1CCC[C@H]1NCc1cc(OC)cc(C)n1 ZINC000272176094 171628536 /nfs/dbraw/zinc/62/85/36/171628536.db2.gz XUJMGCCEHMRMOO-SWLSCSKDSA-N 0 3 248.370 3.067 20 0 BGADHN CC[C@H]1CCC[C@@H]1NCc1cc(OC)cc(C)n1 ZINC000272176096 389029815 /nfs/dbraw/zinc/02/98/15/389029815.db2.gz XUJMGCCEHMRMOO-WFASDCNBSA-N 0 3 248.370 3.067 20 0 BGADHN Cc1ccc([C@@H](C)NCCOC2CCC2)cc1 ZINC000272178310 385881700 /nfs/dbraw/zinc/88/17/00/385881700.db2.gz FJDFKEPLWCRKSI-CYBMUJFWSA-N 0 3 233.355 3.215 20 0 BGADHN Cc1ccc([C@H](C)NCCOC2CCC2)cc1 ZINC000272178314 188199586 /nfs/dbraw/zinc/19/95/86/188199586.db2.gz FJDFKEPLWCRKSI-ZDUSSCGKSA-N 0 3 233.355 3.215 20 0 BGADHN CC[C@@](C)(CO)N[C@H](C)c1cc2ccccc2o1 ZINC000272179044 171171152 /nfs/dbraw/zinc/17/11/52/171171152.db2.gz YCHMZZUVSAVHBM-ABAIWWIYSA-N 0 3 247.338 3.244 20 0 BGADHN CC[C@](C)(CO)N[C@H](C)c1cc2ccccc2o1 ZINC000272179047 487643005 /nfs/dbraw/zinc/64/30/05/487643005.db2.gz YCHMZZUVSAVHBM-IAQYHMDHSA-N 0 3 247.338 3.244 20 0 BGADHN CC[C@@](C)(CO)N[C@@H](C)c1cc2ccccc2o1 ZINC000272179048 171170910 /nfs/dbraw/zinc/17/09/10/171170910.db2.gz YCHMZZUVSAVHBM-NHYWBVRUSA-N 0 3 247.338 3.244 20 0 BGADHN CC[C@](C)(CO)N[C@@H](C)c1cc2ccccc2o1 ZINC000272179051 487643017 /nfs/dbraw/zinc/64/30/17/487643017.db2.gz YCHMZZUVSAVHBM-XHDPSFHLSA-N 0 3 247.338 3.244 20 0 BGADHN COc1c(O)cccc1CN1C[C@H](C)CC1(C)C ZINC000272209777 385884207 /nfs/dbraw/zinc/88/42/07/385884207.db2.gz AECQIPLBXWMGPQ-LLVKDONJSA-N 0 3 249.354 3.021 20 0 BGADHN COc1c(O)cccc1CN1C[C@@H](C)CC1(C)C ZINC000272209779 385884150 /nfs/dbraw/zinc/88/41/50/385884150.db2.gz AECQIPLBXWMGPQ-NSHDSACASA-N 0 3 249.354 3.021 20 0 BGADHN COc1c(O)cccc1CN1CC[C@@H](C)C[C@@H]1C ZINC000272215736 411433495 /nfs/dbraw/zinc/43/34/95/411433495.db2.gz BDPDCGINGAIEBO-NEPJUHHUSA-N 0 3 249.354 3.021 20 0 BGADHN COc1c(O)cccc1CN1CC[C@H](C)C[C@H]1C ZINC000272215739 411433526 /nfs/dbraw/zinc/43/35/26/411433526.db2.gz BDPDCGINGAIEBO-NWDGAFQWSA-N 0 3 249.354 3.021 20 0 BGADHN COc1c(O)cccc1CN1CC[C@H](C)C[C@@H]1C ZINC000272215742 411433326 /nfs/dbraw/zinc/43/33/26/411433326.db2.gz BDPDCGINGAIEBO-RYUDHWBXSA-N 0 3 249.354 3.021 20 0 BGADHN COc1c(O)cccc1CN1CC[C@@H](C)C[C@H]1C ZINC000272215745 411433207 /nfs/dbraw/zinc/43/32/07/411433207.db2.gz BDPDCGINGAIEBO-VXGBXAGGSA-N 0 3 249.354 3.021 20 0 BGADHN Cc1ccoc1CN[C@@H]1CC(C)(C)OC1(C)C ZINC000272218605 389029915 /nfs/dbraw/zinc/02/99/15/389029915.db2.gz DGUCAPGDVMRUGL-GFCCVEGCSA-N 0 3 237.343 3.024 20 0 BGADHN Cc1ccoc1CN[C@H]1CC(C)(C)OC1(C)C ZINC000272218607 389029552 /nfs/dbraw/zinc/02/95/52/389029552.db2.gz DGUCAPGDVMRUGL-LBPRGKRZSA-N 0 3 237.343 3.024 20 0 BGADHN COc1c(O)cccc1CN1CCC[C@@H](C)[C@@H]1C ZINC000272218868 385885831 /nfs/dbraw/zinc/88/58/31/385885831.db2.gz BOLMDOURIFASCG-NEPJUHHUSA-N 0 3 249.354 3.021 20 0 BGADHN COc1c(O)cccc1CN1CCC[C@H](C)[C@H]1C ZINC000272218871 385885708 /nfs/dbraw/zinc/88/57/08/385885708.db2.gz BOLMDOURIFASCG-NWDGAFQWSA-N 0 3 249.354 3.021 20 0 BGADHN COc1c(O)cccc1CN1CCC[C@H](C)[C@@H]1C ZINC000272218874 385885619 /nfs/dbraw/zinc/88/56/19/385885619.db2.gz BOLMDOURIFASCG-RYUDHWBXSA-N 0 3 249.354 3.021 20 0 BGADHN COc1c(O)cccc1CN1CCC[C@@H](C)[C@H]1C ZINC000272218877 385886159 /nfs/dbraw/zinc/88/61/59/385886159.db2.gz BOLMDOURIFASCG-VXGBXAGGSA-N 0 3 249.354 3.021 20 0 BGADHN COc1c(O)cccc1CN1CCCC(C)(C)C1 ZINC000272223448 385886318 /nfs/dbraw/zinc/88/63/18/385886318.db2.gz CGYVAGBEDLZBGW-UHFFFAOYSA-N 0 3 249.354 3.023 20 0 BGADHN CCN(Cc1cccc(O)c1OC)C1CCCC1 ZINC000272226261 351464800 /nfs/dbraw/zinc/46/48/00/351464800.db2.gz CWXAMXJFONZZDQ-UHFFFAOYSA-N 0 3 249.354 3.165 20 0 BGADHN COc1c(O)cccc1CN1CCC[C@@H](C)CC1 ZINC000272227734 385886500 /nfs/dbraw/zinc/88/65/00/385886500.db2.gz DFFSWFILTGENDS-GFCCVEGCSA-N 0 3 249.354 3.023 20 0 BGADHN COc1c(O)cccc1CN1CCC[C@H](C)CC1 ZINC000272227736 385885663 /nfs/dbraw/zinc/88/56/63/385885663.db2.gz DFFSWFILTGENDS-LBPRGKRZSA-N 0 3 249.354 3.023 20 0 BGADHN CC[C@@H]1CCCCN1Cc1cccc(O)c1OC ZINC000272236112 351465433 /nfs/dbraw/zinc/46/54/33/351465433.db2.gz FPVOJWSQQCNKSP-CYBMUJFWSA-N 0 3 249.354 3.165 20 0 BGADHN CC[C@H]1CCCCN1Cc1cccc(O)c1OC ZINC000272236113 385886248 /nfs/dbraw/zinc/88/62/48/385886248.db2.gz FPVOJWSQQCNKSP-ZDUSSCGKSA-N 0 3 249.354 3.165 20 0 BGADHN CCC[C@@H](C)N(C)Cc1cccc(O)c1OC ZINC000272237650 169365285 /nfs/dbraw/zinc/36/52/85/169365285.db2.gz FYMIJZQHNNVHFL-LLVKDONJSA-N 0 3 237.343 3.021 20 0 BGADHN CCC[C@H](C)N(C)Cc1cccc(O)c1OC ZINC000272237651 385886399 /nfs/dbraw/zinc/88/63/99/385886399.db2.gz FYMIJZQHNNVHFL-NSHDSACASA-N 0 3 237.343 3.021 20 0 BGADHN CCCC(C)(C)NCc1cccc(O)c1OC ZINC000272246978 385887482 /nfs/dbraw/zinc/88/74/82/385887482.db2.gz BNTGVYQVDFXYPW-UHFFFAOYSA-N 0 3 237.343 3.069 20 0 BGADHN CC[C@H](N[C@@H]1C[C@H]2CC[C@@H]1O2)c1ccccc1F ZINC000272254421 488138644 /nfs/dbraw/zinc/13/86/44/488138644.db2.gz CKQFZCKDRILFQW-KAOXEZKKSA-N 0 3 249.329 3.186 20 0 BGADHN CC[C@@H](N[C@@H]1C[C@H]2CC[C@@H]1O2)c1ccccc1F ZINC000272254427 488138657 /nfs/dbraw/zinc/13/86/57/488138657.db2.gz CKQFZCKDRILFQW-QZKOUSHUSA-N 0 3 249.329 3.186 20 0 BGADHN C[C@H](c1nc2ccccc2o1)N1CC[C@@H](C)C1 ZINC000272263290 176180184 /nfs/dbraw/zinc/18/01/84/176180184.db2.gz JNYAUWNNGCUJPS-GHMZBOCLSA-N 0 3 230.311 3.231 20 0 BGADHN C[C@@H](c1nc2ccccc2o1)N1CC[C@@H](C)C1 ZINC000272263293 176039262 /nfs/dbraw/zinc/03/92/62/176039262.db2.gz JNYAUWNNGCUJPS-MNOVXSKESA-N 0 3 230.311 3.231 20 0 BGADHN C[C@@H](c1nc2ccccc2o1)N1CC[C@H](C)C1 ZINC000272263296 177169709 /nfs/dbraw/zinc/16/97/09/177169709.db2.gz JNYAUWNNGCUJPS-QWRGUYRKSA-N 0 3 230.311 3.231 20 0 BGADHN C[C@H](c1nc2ccccc2o1)N1CC[C@H](C)C1 ZINC000272263300 177169679 /nfs/dbraw/zinc/16/96/79/177169679.db2.gz JNYAUWNNGCUJPS-WDEREUQCSA-N 0 3 230.311 3.231 20 0 BGADHN CC(C)CN(C)[C@H](C)c1nc2ccccc2o1 ZINC000272269297 351467129 /nfs/dbraw/zinc/46/71/29/351467129.db2.gz KHIBGPWYBKWIFE-LLVKDONJSA-N 0 3 232.327 3.477 20 0 BGADHN CC(C)CN(C)[C@@H](C)c1nc2ccccc2o1 ZINC000272269298 351466823 /nfs/dbraw/zinc/46/68/23/351466823.db2.gz KHIBGPWYBKWIFE-NSHDSACASA-N 0 3 232.327 3.477 20 0 BGADHN CCCN(CCC)Cc1cccc(O)c1OC ZINC000272275850 169148428 /nfs/dbraw/zinc/14/84/28/169148428.db2.gz MBSHDGXILTUZOD-UHFFFAOYSA-N 0 3 237.343 3.023 20 0 BGADHN CCC(C)(C)N(C)Cc1cccc(O)c1OC ZINC000272287774 168286657 /nfs/dbraw/zinc/28/66/57/168286657.db2.gz NQXVAMOBLFWINP-UHFFFAOYSA-N 0 3 237.343 3.021 20 0 BGADHN CCC1CCN(Cc2cccc(O)c2OC)CC1 ZINC000272287899 411433310 /nfs/dbraw/zinc/43/33/10/411433310.db2.gz NTCQSGFMNLUVFI-UHFFFAOYSA-N 0 3 249.354 3.023 20 0 BGADHN COc1c(O)cccc1CN(CC(C)C)C1CC1 ZINC000272298954 385892013 /nfs/dbraw/zinc/89/20/13/385892013.db2.gz PKDXPJYGXPFUKX-UHFFFAOYSA-N 0 3 249.354 3.021 20 0 BGADHN CCCN(Cc1cccc(O)c1OC)CC1CC1 ZINC000272303901 169177263 /nfs/dbraw/zinc/17/72/63/169177263.db2.gz QFINEVBPJLSBQH-UHFFFAOYSA-N 0 3 249.354 3.023 20 0 BGADHN C[C@@H](NC1CC(OC(C)(C)C)C1)c1cccnc1 ZINC000272307713 385892631 /nfs/dbraw/zinc/89/26/31/385892631.db2.gz RADRYUOHAUPBRS-LMWSTFAQSA-N 0 3 248.370 3.078 20 0 BGADHN C[C@H](NC1CC(OC(C)(C)C)C1)c1cccnc1 ZINC000272307715 385892082 /nfs/dbraw/zinc/89/20/82/385892082.db2.gz RADRYUOHAUPBRS-XGNXJENSSA-N 0 3 248.370 3.078 20 0 BGADHN COc1c(O)cccc1CN1CCCCCCC1 ZINC000272312800 385892228 /nfs/dbraw/zinc/89/22/28/385892228.db2.gz RXDGWFNXUYLKIN-UHFFFAOYSA-N 0 3 249.354 3.167 20 0 BGADHN COc1c(O)cccc1CN1C[C@H](C)CC[C@@H]1C ZINC000272312839 385891830 /nfs/dbraw/zinc/89/18/30/385891830.db2.gz RYYMFRCKILRWAR-NEPJUHHUSA-N 0 3 249.354 3.021 20 0 BGADHN COc1c(O)cccc1CN1C[C@@H](C)CC[C@H]1C ZINC000272312841 385892569 /nfs/dbraw/zinc/89/25/69/385892569.db2.gz RYYMFRCKILRWAR-NWDGAFQWSA-N 0 3 249.354 3.021 20 0 BGADHN COc1c(O)cccc1CN1C[C@@H](C)CC[C@@H]1C ZINC000272312842 385892486 /nfs/dbraw/zinc/89/24/86/385892486.db2.gz RYYMFRCKILRWAR-RYUDHWBXSA-N 0 3 249.354 3.021 20 0 BGADHN COc1c(O)cccc1CN1C[C@H](C)CC[C@H]1C ZINC000272312844 385892809 /nfs/dbraw/zinc/89/28/09/385892809.db2.gz RYYMFRCKILRWAR-VXGBXAGGSA-N 0 3 249.354 3.021 20 0 BGADHN CCCCN(Cc1cccc(O)c1OC)C1CC1 ZINC000272314097 385894154 /nfs/dbraw/zinc/89/41/54/385894154.db2.gz SGBVWHNMHQHJNC-UHFFFAOYSA-N 0 3 249.354 3.165 20 0 BGADHN COc1c(O)cccc1CN1CCC[C@@H]1C(C)C ZINC000272323216 385894528 /nfs/dbraw/zinc/89/45/28/385894528.db2.gz USGKOIYSBCIIHN-CYBMUJFWSA-N 0 3 249.354 3.021 20 0 BGADHN COc1c(O)cccc1CN1CCC[C@H]1C(C)C ZINC000272323217 385894141 /nfs/dbraw/zinc/89/41/41/385894141.db2.gz USGKOIYSBCIIHN-ZDUSSCGKSA-N 0 3 249.354 3.021 20 0 BGADHN CC[C@@H]1CCCN(Cc2cccc(O)c2OC)C1 ZINC000272329509 351468802 /nfs/dbraw/zinc/46/88/02/351468802.db2.gz WDEFIEJPDTUXKU-GFCCVEGCSA-N 0 3 249.354 3.023 20 0 BGADHN CC[C@H]1CCCN(Cc2cccc(O)c2OC)C1 ZINC000272329510 385894395 /nfs/dbraw/zinc/89/43/95/385894395.db2.gz WDEFIEJPDTUXKU-LBPRGKRZSA-N 0 3 249.354 3.023 20 0 BGADHN C[C@H](NC1CC(OC(C)(C)C)C1)c1ccccn1 ZINC000272333744 385894085 /nfs/dbraw/zinc/89/40/85/385894085.db2.gz XALXUDOLICIOQY-HIFPTAJRSA-N 0 3 248.370 3.078 20 0 BGADHN C[C@@H](NC1CC(OC(C)(C)C)C1)c1ccccn1 ZINC000272333745 385894324 /nfs/dbraw/zinc/89/43/24/385894324.db2.gz XALXUDOLICIOQY-PNESKVBLSA-N 0 3 248.370 3.078 20 0 BGADHN CCCCN(CC)Cc1cccc(O)c1OC ZINC000272336372 385895646 /nfs/dbraw/zinc/89/56/46/385895646.db2.gz XRIBRFQEZKKCLW-UHFFFAOYSA-N 0 3 237.343 3.023 20 0 BGADHN COc1c(O)cccc1CN(C)C1CCCCC1 ZINC000272342379 385895696 /nfs/dbraw/zinc/89/56/96/385895696.db2.gz YZJLQGFHMBOJRQ-UHFFFAOYSA-N 0 3 249.354 3.165 20 0 BGADHN COc1c(O)cccc1CN(C)CC1CCCC1 ZINC000272343779 385895726 /nfs/dbraw/zinc/89/57/26/385895726.db2.gz ZFUSDQGNRPRJBO-UHFFFAOYSA-N 0 3 249.354 3.023 20 0 BGADHN CC[C@@H](NCC[C@@H](C)OC)c1ccccc1F ZINC000272381432 389031965 /nfs/dbraw/zinc/03/19/65/389031965.db2.gz HTJJQQHKBOAESX-BXUZGUMPSA-N 0 3 239.334 3.291 20 0 BGADHN CC[C@H](NCC[C@H](C)OC)c1ccccc1F ZINC000272381433 389031623 /nfs/dbraw/zinc/03/16/23/389031623.db2.gz HTJJQQHKBOAESX-FZMZJTMJSA-N 0 3 239.334 3.291 20 0 BGADHN CC[C@H](NCC[C@@H](C)OC)c1ccccc1F ZINC000272381436 389031482 /nfs/dbraw/zinc/03/14/82/389031482.db2.gz HTJJQQHKBOAESX-RISCZKNCSA-N 0 3 239.334 3.291 20 0 BGADHN CC[C@@H](NCC[C@H](C)OC)c1ccccc1F ZINC000272381438 389030761 /nfs/dbraw/zinc/03/07/61/389030761.db2.gz HTJJQQHKBOAESX-SMDDNHRTSA-N 0 3 239.334 3.291 20 0 BGADHN CCC(C)(CC)NCc1cccc(O)c1OC ZINC000272386612 168310566 /nfs/dbraw/zinc/31/05/66/168310566.db2.gz IMFBGUMWQGEYMP-UHFFFAOYSA-N 0 3 237.343 3.069 20 0 BGADHN COc1c(O)cccc1CNC1(C)CCCCC1 ZINC000272403336 385900468 /nfs/dbraw/zinc/90/04/68/385900468.db2.gz KBQNAOSXIRACKO-UHFFFAOYSA-N 0 3 249.354 3.213 20 0 BGADHN COc1c(O)cccc1CN(C)[C@H](C)C1(C)CC1 ZINC000272420743 385900978 /nfs/dbraw/zinc/90/09/78/385900978.db2.gz LUPDBVASONBYKH-LLVKDONJSA-N 0 3 249.354 3.021 20 0 BGADHN COc1c(O)cccc1CN(C)[C@@H](C)C1(C)CC1 ZINC000272420747 385901476 /nfs/dbraw/zinc/90/14/76/385901476.db2.gz LUPDBVASONBYKH-NSHDSACASA-N 0 3 249.354 3.021 20 0 BGADHN Cc1ccc(CN(C)Cc2ccc(O)cc2)s1 ZINC000272447381 385903277 /nfs/dbraw/zinc/90/32/77/385903277.db2.gz VDJAMYRNZQHQTQ-UHFFFAOYSA-N 0 3 247.363 3.394 20 0 BGADHN Cc1cc(CNCc2ccn(C)c2)ccc1Cl ZINC000272469054 178027465 /nfs/dbraw/zinc/02/74/65/178027465.db2.gz WQIWGTVRNXSHNW-UHFFFAOYSA-N 0 3 248.757 3.277 20 0 BGADHN CCC[C@@H](C)N[C@@H](CCOC)c1ccco1 ZINC000272482076 169371871 /nfs/dbraw/zinc/37/18/71/169371871.db2.gz AZTRDURLJNZFHQ-NEPJUHHUSA-N 0 3 225.332 3.135 20 0 BGADHN CCC[C@H](C)N[C@H](CCOC)c1ccco1 ZINC000272482078 389031231 /nfs/dbraw/zinc/03/12/31/389031231.db2.gz AZTRDURLJNZFHQ-NWDGAFQWSA-N 0 3 225.332 3.135 20 0 BGADHN CCC[C@H](C)N[C@@H](CCOC)c1ccco1 ZINC000272482080 389030684 /nfs/dbraw/zinc/03/06/84/389030684.db2.gz AZTRDURLJNZFHQ-RYUDHWBXSA-N 0 3 225.332 3.135 20 0 BGADHN CCC[C@@H](C)N[C@H](CCOC)c1ccco1 ZINC000272482081 169371693 /nfs/dbraw/zinc/37/16/93/169371693.db2.gz AZTRDURLJNZFHQ-VXGBXAGGSA-N 0 3 225.332 3.135 20 0 BGADHN CC[C@H](NCc1ccn(C)c1)c1ccccc1F ZINC000272525890 385911139 /nfs/dbraw/zinc/91/11/39/385911139.db2.gz YYHHUVPURXLRGQ-HNNXBMFYSA-N 0 3 246.329 3.405 20 0 BGADHN CC[C@@H](NCc1ccn(C)c1)c1ccccc1F ZINC000272525892 351483903 /nfs/dbraw/zinc/48/39/03/351483903.db2.gz YYHHUVPURXLRGQ-OAHLLOKOSA-N 0 3 246.329 3.405 20 0 BGADHN COCC[C@H](N[C@@H](C)CC1CC1)c1ccco1 ZINC000272548336 385911704 /nfs/dbraw/zinc/91/17/04/385911704.db2.gz LSLMLRQLMJQLEG-AAEUAGOBSA-N 0 3 237.343 3.135 20 0 BGADHN COCC[C@@H](N[C@H](C)CC1CC1)c1ccco1 ZINC000272548340 174395595 /nfs/dbraw/zinc/39/55/95/174395595.db2.gz LSLMLRQLMJQLEG-DGCLKSJQSA-N 0 3 237.343 3.135 20 0 BGADHN COCC[C@@H](N[C@@H](C)CC1CC1)c1ccco1 ZINC000272548345 174395096 /nfs/dbraw/zinc/39/50/96/174395096.db2.gz LSLMLRQLMJQLEG-WCQYABFASA-N 0 3 237.343 3.135 20 0 BGADHN COCC[C@H](N[C@H](C)CC1CC1)c1ccco1 ZINC000272548348 385910943 /nfs/dbraw/zinc/91/09/43/385910943.db2.gz LSLMLRQLMJQLEG-YPMHNXCESA-N 0 3 237.343 3.135 20 0 BGADHN COCC[C@@H](N[C@H](C)CC(C)C)c1ccco1 ZINC000272591455 174394914 /nfs/dbraw/zinc/39/49/14/174394914.db2.gz RZOUWHWMUKTIED-CHWSQXEVSA-N 0 3 239.359 3.381 20 0 BGADHN COCC[C@H](N[C@H](C)CC(C)C)c1ccco1 ZINC000272591456 385915454 /nfs/dbraw/zinc/91/54/54/385915454.db2.gz RZOUWHWMUKTIED-OLZOCXBDSA-N 0 3 239.359 3.381 20 0 BGADHN COCC[C@@H](N[C@@H](C)CC(C)C)c1ccco1 ZINC000272591458 174395893 /nfs/dbraw/zinc/39/58/93/174395893.db2.gz RZOUWHWMUKTIED-QWHCGFSZSA-N 0 3 239.359 3.381 20 0 BGADHN COCC[C@H](N[C@@H](C)CC(C)C)c1ccco1 ZINC000272591460 385915090 /nfs/dbraw/zinc/91/50/90/385915090.db2.gz RZOUWHWMUKTIED-STQMWFEESA-N 0 3 239.359 3.381 20 0 BGADHN CCC[C@@H](C)CN[C@H](CCOC)c1ccco1 ZINC000272607269 169360570 /nfs/dbraw/zinc/36/05/70/169360570.db2.gz TXYLHMBILRYRDJ-CHWSQXEVSA-N 0 3 239.359 3.383 20 0 BGADHN CCC[C@@H](C)CN[C@@H](CCOC)c1ccco1 ZINC000272607272 169359869 /nfs/dbraw/zinc/35/98/69/169359869.db2.gz TXYLHMBILRYRDJ-OLZOCXBDSA-N 0 3 239.359 3.383 20 0 BGADHN CCC[C@H](C)CN[C@H](CCOC)c1ccco1 ZINC000272607276 169483297 /nfs/dbraw/zinc/48/32/97/169483297.db2.gz TXYLHMBILRYRDJ-QWHCGFSZSA-N 0 3 239.359 3.383 20 0 BGADHN CCC[C@H](C)CN[C@@H](CCOC)c1ccco1 ZINC000272607278 385917345 /nfs/dbraw/zinc/91/73/45/385917345.db2.gz TXYLHMBILRYRDJ-STQMWFEESA-N 0 3 239.359 3.383 20 0 BGADHN COCC[C@H](N[C@H]1CC[C@@H](C)C1)c1ccco1 ZINC000272610309 385917257 /nfs/dbraw/zinc/91/72/57/385917257.db2.gz WCOJISYGOUKGLV-AGIUHOORSA-N 0 3 237.343 3.135 20 0 BGADHN COCC[C@H](N[C@H]1CC[C@H](C)C1)c1ccco1 ZINC000272610313 385917293 /nfs/dbraw/zinc/91/72/93/385917293.db2.gz WCOJISYGOUKGLV-AVGNSLFASA-N 0 3 237.343 3.135 20 0 BGADHN COCC[C@H](N[C@@H]1CC[C@@H](C)C1)c1ccco1 ZINC000272610317 385917441 /nfs/dbraw/zinc/91/74/41/385917441.db2.gz WCOJISYGOUKGLV-UPJWGTAASA-N 0 3 237.343 3.135 20 0 BGADHN COCC[C@H](N[C@@H]1CC[C@H](C)C1)c1ccco1 ZINC000272610319 385917517 /nfs/dbraw/zinc/91/75/17/385917517.db2.gz WCOJISYGOUKGLV-XQQFMLRXSA-N 0 3 237.343 3.135 20 0 BGADHN CC[C@H](C)N[C@H](CCOC)c1ccc(C)o1 ZINC000272637311 171348431 /nfs/dbraw/zinc/34/84/31/171348431.db2.gz NVWMQZLEWKRZMQ-CMPLNLGQSA-N 0 3 225.332 3.054 20 0 BGADHN CC[C@H](C)N[C@@H](CCOC)c1ccc(C)o1 ZINC000272637325 171346332 /nfs/dbraw/zinc/34/63/32/171346332.db2.gz NVWMQZLEWKRZMQ-JQWIXIFHSA-N 0 3 225.332 3.054 20 0 BGADHN CC[C@@H](C)N[C@@H](CCOC)c1ccc(C)o1 ZINC000272637340 389034059 /nfs/dbraw/zinc/03/40/59/389034059.db2.gz NVWMQZLEWKRZMQ-PWSUYJOCSA-N 0 3 225.332 3.054 20 0 BGADHN CC[C@@H](C)N[C@H](CCOC)c1ccc(C)o1 ZINC000272637353 170758457 /nfs/dbraw/zinc/75/84/57/170758457.db2.gz NVWMQZLEWKRZMQ-ZYHUDNBSSA-N 0 3 225.332 3.054 20 0 BGADHN CCC[C@H](C)N[C@@H](CCOC)c1ccc(C)o1 ZINC000272639233 385921307 /nfs/dbraw/zinc/92/13/07/385921307.db2.gz OEUBAEOAUOOJEA-AAEUAGOBSA-N 0 3 239.359 3.444 20 0 BGADHN CCC[C@@H](C)N[C@H](CCOC)c1ccc(C)o1 ZINC000272639234 169371847 /nfs/dbraw/zinc/37/18/47/169371847.db2.gz OEUBAEOAUOOJEA-DGCLKSJQSA-N 0 3 239.359 3.444 20 0 BGADHN CCC[C@H](C)N[C@H](CCOC)c1ccc(C)o1 ZINC000272639235 385921398 /nfs/dbraw/zinc/92/13/98/385921398.db2.gz OEUBAEOAUOOJEA-WCQYABFASA-N 0 3 239.359 3.444 20 0 BGADHN CCC[C@@H](C)N[C@@H](CCOC)c1ccc(C)o1 ZINC000272639236 169371261 /nfs/dbraw/zinc/37/12/61/169371261.db2.gz OEUBAEOAUOOJEA-YPMHNXCESA-N 0 3 239.359 3.444 20 0 BGADHN COCC[C@H](N[C@@H](C)C1CC1)c1ccc(C)o1 ZINC000272658511 397982386 /nfs/dbraw/zinc/98/23/86/397982386.db2.gz QYNHSPJDIHHLPG-AAEUAGOBSA-N 0 3 237.343 3.054 20 0 BGADHN COCC[C@@H](N[C@H](C)C1CC1)c1ccc(C)o1 ZINC000272658512 174395292 /nfs/dbraw/zinc/39/52/92/174395292.db2.gz QYNHSPJDIHHLPG-DGCLKSJQSA-N 0 3 237.343 3.054 20 0 BGADHN COCC[C@@H](N[C@@H](C)C1CC1)c1ccc(C)o1 ZINC000272658514 174395455 /nfs/dbraw/zinc/39/54/55/174395455.db2.gz QYNHSPJDIHHLPG-WCQYABFASA-N 0 3 237.343 3.054 20 0 BGADHN COCC[C@H](N[C@H](C)C1CC1)c1ccc(C)o1 ZINC000272658515 397982348 /nfs/dbraw/zinc/98/23/48/397982348.db2.gz QYNHSPJDIHHLPG-YPMHNXCESA-N 0 3 237.343 3.054 20 0 BGADHN CSc1ccccc1CN(C)C(C)C ZINC000272689345 385924401 /nfs/dbraw/zinc/92/44/01/385924401.db2.gz DXMNRAPYYCXEJX-UHFFFAOYSA-N 0 3 209.358 3.249 20 0 BGADHN COCC[C@@H](NC1CCCC1)c1ccc(C)o1 ZINC000272702703 174394268 /nfs/dbraw/zinc/39/42/68/174394268.db2.gz YZTPMIYRVZSJDE-CYBMUJFWSA-N 0 3 237.343 3.198 20 0 BGADHN COCC[C@H](NC1CCCC1)c1ccc(C)o1 ZINC000272702704 385923743 /nfs/dbraw/zinc/92/37/43/385923743.db2.gz YZTPMIYRVZSJDE-ZDUSSCGKSA-N 0 3 237.343 3.198 20 0 BGADHN CC(C)N[C@@H](CC(=O)OC(C)C)c1ccccc1 ZINC000272802778 167132417 /nfs/dbraw/zinc/13/24/17/167132417.db2.gz FATZACKUUXSWLB-AWEZNQCLSA-N 0 3 249.354 3.067 20 0 BGADHN CC(C)N[C@H](CC(=O)OC(C)C)c1ccccc1 ZINC000272802779 167138251 /nfs/dbraw/zinc/13/82/51/167138251.db2.gz FATZACKUUXSWLB-CQSZACIVSA-N 0 3 249.354 3.067 20 0 BGADHN CC(C)=CCN[C@H](C)c1cnccc1C ZINC000272830431 188262815 /nfs/dbraw/zinc/26/28/15/188262815.db2.gz KYQVWPAJPUHERD-GFCCVEGCSA-N 0 3 204.317 3.007 20 0 BGADHN CC(C)=CCN[C@@H](C)c1cnccc1C ZINC000272830434 389035935 /nfs/dbraw/zinc/03/59/35/389035935.db2.gz KYQVWPAJPUHERD-LBPRGKRZSA-N 0 3 204.317 3.007 20 0 BGADHN Cc1cc(F)ccc1CN1CCCSCC1 ZINC000272837684 178085899 /nfs/dbraw/zinc/08/58/99/178085899.db2.gz QUZRKWRSIKQNIL-UHFFFAOYSA-N 0 3 239.359 3.073 20 0 BGADHN Cc1ccc(F)cc1CN1CCCSCC1 ZINC000272882662 385947209 /nfs/dbraw/zinc/94/72/09/385947209.db2.gz XYYJVZLZPOLNTK-UHFFFAOYSA-N 0 3 239.359 3.073 20 0 BGADHN CSCCN(C)Cc1ccccc1SC ZINC000272921242 385950551 /nfs/dbraw/zinc/95/05/51/385950551.db2.gz NYVFNJOIIMBTJY-UHFFFAOYSA-N 0 3 241.425 3.203 20 0 BGADHN CCSCCCN[C@@H](C)c1cncc(F)c1 ZINC000273014728 385960908 /nfs/dbraw/zinc/96/09/08/385960908.db2.gz VYQMMVDMDZYRQE-JTQLQIEISA-N 0 3 242.363 3.015 20 0 BGADHN CCSCCCN[C@H](C)c1cncc(F)c1 ZINC000273014729 385961047 /nfs/dbraw/zinc/96/10/47/385961047.db2.gz VYQMMVDMDZYRQE-SNVBAGLBSA-N 0 3 242.363 3.015 20 0 BGADHN Cc1ccoc1CNC1CC(OC(C)(C)C)C1 ZINC000273190237 385977482 /nfs/dbraw/zinc/97/74/82/385977482.db2.gz ZDMMWCKBUSGHRU-UHFFFAOYSA-N 0 3 237.343 3.024 20 0 BGADHN C[C@H](NCC[C@H]1CCO[C@H](C)C1)c1ccco1 ZINC000273195820 491109166 /nfs/dbraw/zinc/10/91/66/491109166.db2.gz HUROHZSQABYCNV-AGIUHOORSA-N 0 3 237.343 3.135 20 0 BGADHN C[C@H](NCC[C@@H]1CCO[C@H](C)C1)c1ccco1 ZINC000273195822 491109161 /nfs/dbraw/zinc/10/91/61/491109161.db2.gz HUROHZSQABYCNV-FRRDWIJNSA-N 0 3 237.343 3.135 20 0 BGADHN C[C@@H](NCC[C@@H]1CCO[C@H](C)C1)c1ccco1 ZINC000273195825 491109094 /nfs/dbraw/zinc/10/90/94/491109094.db2.gz HUROHZSQABYCNV-JHJVBQTASA-N 0 3 237.343 3.135 20 0 BGADHN C[C@@H](NCC[C@H]1CCO[C@H](C)C1)c1ccco1 ZINC000273195827 176367933 /nfs/dbraw/zinc/36/79/33/176367933.db2.gz HUROHZSQABYCNV-UPJWGTAASA-N 0 3 237.343 3.135 20 0 BGADHN CCCCCN[C@H](CCOC)c1ccco1 ZINC000273238979 389039497 /nfs/dbraw/zinc/03/94/97/389039497.db2.gz HDEUQTDEHGXWCP-GFCCVEGCSA-N 0 3 225.332 3.137 20 0 BGADHN CCCCCN[C@@H](CCOC)c1ccco1 ZINC000273238981 389038602 /nfs/dbraw/zinc/03/86/02/389038602.db2.gz HDEUQTDEHGXWCP-LBPRGKRZSA-N 0 3 225.332 3.137 20 0 BGADHN COCC[C@@H](NCCC(C)(C)C)c1ccco1 ZINC000273305474 174393910 /nfs/dbraw/zinc/39/39/10/174393910.db2.gz SLOSXIHDRRZCRR-GFCCVEGCSA-N 0 3 239.359 3.383 20 0 BGADHN COCC[C@H](NCCC(C)(C)C)c1ccco1 ZINC000273305477 385987185 /nfs/dbraw/zinc/98/71/85/385987185.db2.gz SLOSXIHDRRZCRR-LBPRGKRZSA-N 0 3 239.359 3.383 20 0 BGADHN CO[C@@H](C)CN[C@@H](C)c1cc2ccccc2o1 ZINC000273316620 487903591 /nfs/dbraw/zinc/90/35/91/487903591.db2.gz RCIZMRHOWNXMEZ-QWRGUYRKSA-N 0 3 233.311 3.118 20 0 BGADHN CO[C@@H](C)CN[C@H](C)c1cc2ccccc2o1 ZINC000273316623 487903522 /nfs/dbraw/zinc/90/35/22/487903522.db2.gz RCIZMRHOWNXMEZ-WDEREUQCSA-N 0 3 233.311 3.118 20 0 BGADHN COC[C@H](N[C@@H]1CCC(C)(C)C1)c1ccco1 ZINC000273327034 385989334 /nfs/dbraw/zinc/98/93/34/385989334.db2.gz IGRMPVPTBUTZBT-NEPJUHHUSA-N 0 3 237.343 3.135 20 0 BGADHN COC[C@@H](N[C@H]1CCC(C)(C)C1)c1ccco1 ZINC000273327035 385987709 /nfs/dbraw/zinc/98/77/09/385987709.db2.gz IGRMPVPTBUTZBT-NWDGAFQWSA-N 0 3 237.343 3.135 20 0 BGADHN COC[C@H](N[C@H]1CCC(C)(C)C1)c1ccco1 ZINC000273327037 385989297 /nfs/dbraw/zinc/98/92/97/385989297.db2.gz IGRMPVPTBUTZBT-RYUDHWBXSA-N 0 3 237.343 3.135 20 0 BGADHN COC[C@@H](N[C@@H]1CCC(C)(C)C1)c1ccco1 ZINC000273327039 385988731 /nfs/dbraw/zinc/98/87/31/385988731.db2.gz IGRMPVPTBUTZBT-VXGBXAGGSA-N 0 3 237.343 3.135 20 0 BGADHN Cc1cc(CN2CCCSCC2)ccc1F ZINC000273353522 385992228 /nfs/dbraw/zinc/99/22/28/385992228.db2.gz BKAZINSMGJKIMN-UHFFFAOYSA-N 0 3 239.359 3.073 20 0 BGADHN Cc1ccc(F)c(CN2CCCSCC2)c1 ZINC000273366336 385992859 /nfs/dbraw/zinc/99/28/59/385992859.db2.gz DWJQYNNSPYFSQF-UHFFFAOYSA-N 0 3 239.359 3.073 20 0 BGADHN C(=C/c1ccccc1)\CN1CCCSCC1 ZINC000273399170 385995130 /nfs/dbraw/zinc/99/51/30/385995130.db2.gz LTEWOHSHSADAAZ-XBXARRHUSA-N 0 3 233.380 3.139 20 0 BGADHN CC1(C)CC[C@@H](NCc2ccc(Cl)cn2)C1 ZINC000273428696 389041015 /nfs/dbraw/zinc/04/10/15/389041015.db2.gz YUYHVNUEPPDBAN-LLVKDONJSA-N 0 3 238.762 3.403 20 0 BGADHN CC1(C)CC[C@H](NCc2ccc(Cl)cn2)C1 ZINC000273428697 389041512 /nfs/dbraw/zinc/04/15/12/389041512.db2.gz YUYHVNUEPPDBAN-NSHDSACASA-N 0 3 238.762 3.403 20 0 BGADHN Cc1ccc(CN2CCCSCC2)cc1F ZINC000273437170 386001175 /nfs/dbraw/zinc/00/11/75/386001175.db2.gz VRAOWZYMLPIBCM-UHFFFAOYSA-N 0 3 239.359 3.073 20 0 BGADHN CCC[C@H](NC[C@H]1CCCCO1)c1cccnc1 ZINC000273444731 386001297 /nfs/dbraw/zinc/00/12/97/386001297.db2.gz ZPPGZBSBHQZPGS-CABCVRRESA-N 0 3 248.370 3.082 20 0 BGADHN CCC[C@H](NC[C@@H]1CCCCO1)c1cccnc1 ZINC000273444733 386002626 /nfs/dbraw/zinc/00/26/26/386002626.db2.gz ZPPGZBSBHQZPGS-GJZGRUSLSA-N 0 3 248.370 3.082 20 0 BGADHN CCC[C@@H](NC[C@H]1CCCCO1)c1cccnc1 ZINC000273444735 385999974 /nfs/dbraw/zinc/99/99/74/385999974.db2.gz ZPPGZBSBHQZPGS-HUUCEWRRSA-N 0 3 248.370 3.082 20 0 BGADHN CCC[C@@H](NC[C@@H]1CCCCO1)c1cccnc1 ZINC000273444736 386000186 /nfs/dbraw/zinc/00/01/86/386000186.db2.gz ZPPGZBSBHQZPGS-LSDHHAIUSA-N 0 3 248.370 3.082 20 0 BGADHN CO[C@@H](C)CN[C@H](C)c1oc2ccccc2c1C ZINC000273452447 389041050 /nfs/dbraw/zinc/04/10/50/389041050.db2.gz XSTAVENLOIXTBO-CMPLNLGQSA-N 0 3 247.338 3.427 20 0 BGADHN CO[C@@H](C)CN[C@@H](C)c1oc2ccccc2c1C ZINC000273452449 389041133 /nfs/dbraw/zinc/04/11/33/389041133.db2.gz XSTAVENLOIXTBO-JQWIXIFHSA-N 0 3 247.338 3.427 20 0 BGADHN CO[C@H](C)CN[C@@H](C)c1oc2ccccc2c1C ZINC000273452454 389041334 /nfs/dbraw/zinc/04/13/34/389041334.db2.gz XSTAVENLOIXTBO-PWSUYJOCSA-N 0 3 247.338 3.427 20 0 BGADHN CO[C@H](C)CN[C@H](C)c1oc2ccccc2c1C ZINC000273452457 389041763 /nfs/dbraw/zinc/04/17/63/389041763.db2.gz XSTAVENLOIXTBO-ZYHUDNBSSA-N 0 3 247.338 3.427 20 0 BGADHN CC(C)C[C@H](NCCF)c1cccs1 ZINC000273474685 389041640 /nfs/dbraw/zinc/04/16/40/389041640.db2.gz GOVKUAIWNNQLMZ-JTQLQIEISA-N 0 3 215.337 3.394 20 0 BGADHN CC(C)C[C@@H](NCCF)c1cccs1 ZINC000273474691 188091695 /nfs/dbraw/zinc/09/16/95/188091695.db2.gz GOVKUAIWNNQLMZ-SNVBAGLBSA-N 0 3 215.337 3.394 20 0 BGADHN CCC[C@H](NCc1ccn(C)c1)c1cccnc1 ZINC000273550344 386012095 /nfs/dbraw/zinc/01/20/95/386012095.db2.gz FROYDKGEKKSYHX-HNNXBMFYSA-N 0 3 243.354 3.051 20 0 BGADHN CCC[C@@H](NCc1ccn(C)c1)c1cccnc1 ZINC000273550346 386012498 /nfs/dbraw/zinc/01/24/98/386012498.db2.gz FROYDKGEKKSYHX-OAHLLOKOSA-N 0 3 243.354 3.051 20 0 BGADHN CCSCCN[C@@H]1CCc2c1cccc2F ZINC000273823518 385927439 /nfs/dbraw/zinc/92/74/39/385927439.db2.gz XVUMAVFPTPBBMZ-CYBMUJFWSA-N 0 3 239.359 3.156 20 0 BGADHN CCSCCN[C@H]1CCc2c1cccc2F ZINC000273823522 385927623 /nfs/dbraw/zinc/92/76/23/385927623.db2.gz XVUMAVFPTPBBMZ-ZDUSSCGKSA-N 0 3 239.359 3.156 20 0 BGADHN Cc1ccoc1CNCCC[C@H]1CCCCO1 ZINC000273836076 386043758 /nfs/dbraw/zinc/04/37/58/386043758.db2.gz QKWMQGZZEYNIPH-CYBMUJFWSA-N 0 3 237.343 3.027 20 0 BGADHN Cc1ccoc1CNCCC[C@@H]1CCCCO1 ZINC000273836082 179524666 /nfs/dbraw/zinc/52/46/66/179524666.db2.gz QKWMQGZZEYNIPH-ZDUSSCGKSA-N 0 3 237.343 3.027 20 0 BGADHN CCC1(CN[C@H](C)c2cnccn2)CCCCC1 ZINC000273841850 386042826 /nfs/dbraw/zinc/04/28/26/386042826.db2.gz HYQDNBDFAJRANP-CYBMUJFWSA-N 0 3 247.386 3.488 20 0 BGADHN CCC1(CN[C@@H](C)c2cnccn2)CCCCC1 ZINC000273841853 386043661 /nfs/dbraw/zinc/04/36/61/386043661.db2.gz HYQDNBDFAJRANP-ZDUSSCGKSA-N 0 3 247.386 3.488 20 0 BGADHN Cc1cccc(NC2CCN(C3CC3)CC2)c1 ZINC000274048642 326281551 /nfs/dbraw/zinc/28/15/51/326281551.db2.gz NXHPPEATNDGUBB-UHFFFAOYSA-N 0 3 230.355 3.034 20 0 BGADHN CSCCN1CCc2sccc2[C@H]1C ZINC000274145802 487658671 /nfs/dbraw/zinc/65/86/71/487658671.db2.gz BXXORQVZZFRHFM-SECBINFHSA-N 0 3 227.398 3.030 20 0 BGADHN CSCCN1CCc2sccc2[C@@H]1C ZINC000274145804 487658521 /nfs/dbraw/zinc/65/85/21/487658521.db2.gz BXXORQVZZFRHFM-VIFPVBQESA-N 0 3 227.398 3.030 20 0 BGADHN c1ccc2c(c1)CN(CCCC1CCOCC1)C2 ZINC000274240732 386084802 /nfs/dbraw/zinc/08/48/02/386084802.db2.gz VWEKNOPWUORPBL-UHFFFAOYSA-N 0 3 245.366 3.209 20 0 BGADHN CC/C=C/CCN(CC)Cc1ccncc1 ZINC000274308821 386088545 /nfs/dbraw/zinc/08/85/45/386088545.db2.gz FFWYNQVIVXAYRJ-AATRIKPKSA-N 0 3 218.344 3.260 20 0 BGADHN CCC1(C)CCN([C@H](C)c2cnccn2)CC1 ZINC000274317225 487661095 /nfs/dbraw/zinc/66/10/95/487661095.db2.gz HOLBAUKBDIMEEL-GFCCVEGCSA-N 0 3 233.359 3.050 20 0 BGADHN CCC1(C)CCN([C@@H](C)c2cnccn2)CC1 ZINC000274317226 487661103 /nfs/dbraw/zinc/66/11/03/487661103.db2.gz HOLBAUKBDIMEEL-LBPRGKRZSA-N 0 3 233.359 3.050 20 0 BGADHN OCc1ccc(CNCCC2=CCCCCC2)o1 ZINC000274317537 183165482 /nfs/dbraw/zinc/16/54/82/183165482.db2.gz SLVZHKSWNPSPPU-UHFFFAOYSA-N 0 3 249.354 3.142 20 0 BGADHN CCC1(CC)CCN([C@H](C)c2cnccn2)C1 ZINC000274318638 487661509 /nfs/dbraw/zinc/66/15/09/487661509.db2.gz HUZGOYRDBIGBEU-GFCCVEGCSA-N 0 3 233.359 3.050 20 0 BGADHN CCC1(CC)CCN([C@@H](C)c2cnccn2)C1 ZINC000274318639 168459078 /nfs/dbraw/zinc/45/90/78/168459078.db2.gz HUZGOYRDBIGBEU-LBPRGKRZSA-N 0 3 233.359 3.050 20 0 BGADHN CO[C@H](C)[C@@H](C)NCc1ccc(C(F)F)cc1 ZINC000274325383 411437944 /nfs/dbraw/zinc/43/79/44/411437944.db2.gz YNLWBYPPQIHXTO-NXEZZACHSA-N 0 3 243.297 3.137 20 0 BGADHN CO[C@@H](C)[C@H](C)NCc1ccc(C(F)F)cc1 ZINC000274325385 411437976 /nfs/dbraw/zinc/43/79/76/411437976.db2.gz YNLWBYPPQIHXTO-UWVGGRQHSA-N 0 3 243.297 3.137 20 0 BGADHN CO[C@H](C)[C@H](C)NCc1ccc(C(F)F)cc1 ZINC000274325387 411438046 /nfs/dbraw/zinc/43/80/46/411438046.db2.gz YNLWBYPPQIHXTO-VHSXEESVSA-N 0 3 243.297 3.137 20 0 BGADHN CO[C@@H](C)[C@@H](C)NCc1ccc(C(F)F)cc1 ZINC000274325388 411438155 /nfs/dbraw/zinc/43/81/55/411438155.db2.gz YNLWBYPPQIHXTO-ZJUUUORDSA-N 0 3 243.297 3.137 20 0 BGADHN C[C@H](c1cnccn1)N1CCC2(CCCC2)CC1 ZINC000274325493 177051085 /nfs/dbraw/zinc/05/10/85/177051085.db2.gz JRHAUIRFWVFHBS-CYBMUJFWSA-N 0 3 245.370 3.194 20 0 BGADHN C[C@@H](c1cnccn1)N1CCC2(CCCC2)CC1 ZINC000274325494 176035490 /nfs/dbraw/zinc/03/54/90/176035490.db2.gz JRHAUIRFWVFHBS-ZDUSSCGKSA-N 0 3 245.370 3.194 20 0 BGADHN C[C@H](c1cnccn1)N1CC[C@@H](C)C2(CCC2)C1 ZINC000274330836 177052007 /nfs/dbraw/zinc/05/20/07/177052007.db2.gz LGHNODMHBZQKAE-CHWSQXEVSA-N 0 3 245.370 3.050 20 0 BGADHN C[C@@H](c1cnccn1)N1CC[C@@H](C)C2(CCC2)C1 ZINC000274330841 176037586 /nfs/dbraw/zinc/03/75/86/176037586.db2.gz LGHNODMHBZQKAE-OLZOCXBDSA-N 0 3 245.370 3.050 20 0 BGADHN C[C@H](c1cnccn1)N1CC[C@H](C)C2(CCC2)C1 ZINC000274330846 177170095 /nfs/dbraw/zinc/17/00/95/177170095.db2.gz LGHNODMHBZQKAE-QWHCGFSZSA-N 0 3 245.370 3.050 20 0 BGADHN C[C@@H](c1cnccn1)N1CC[C@H](C)C2(CCC2)C1 ZINC000274330851 176036549 /nfs/dbraw/zinc/03/65/49/176036549.db2.gz LGHNODMHBZQKAE-STQMWFEESA-N 0 3 245.370 3.050 20 0 BGADHN Fc1cncc(CN2CCC[C@H]2C2CCCC2)c1 ZINC000274337840 181019509 /nfs/dbraw/zinc/01/95/09/181019509.db2.gz HKXMSGGIQZVDFE-HNNXBMFYSA-N 0 3 248.345 3.375 20 0 BGADHN Fc1cncc(CN2CCC[C@@H]2C2CCCC2)c1 ZINC000274337843 181019667 /nfs/dbraw/zinc/01/96/67/181019667.db2.gz HKXMSGGIQZVDFE-OAHLLOKOSA-N 0 3 248.345 3.375 20 0 BGADHN CC1CCC(N(C)Cc2cncc(F)c2)CC1 ZINC000274346034 168159968 /nfs/dbraw/zinc/15/99/68/168159968.db2.gz JKVZXVYEEOJQLM-UHFFFAOYSA-N 0 3 236.334 3.231 20 0 BGADHN Cc1ccoc1CN[C@H](C)CCC1CC1 ZINC000274370766 389045790 /nfs/dbraw/zinc/04/57/90/389045790.db2.gz GPYAYOBZMFRHLY-LLVKDONJSA-N 0 3 207.317 3.256 20 0 BGADHN Cc1ccoc1CN[C@@H](C)CCC1CC1 ZINC000274371711 386095492 /nfs/dbraw/zinc/09/54/92/386095492.db2.gz GPYAYOBZMFRHLY-NSHDSACASA-N 0 3 207.317 3.256 20 0 BGADHN C[C@H](CCC1CC1)NCc1cn2ccccc2n1 ZINC000274393067 389047412 /nfs/dbraw/zinc/04/74/12/389047412.db2.gz LFIMPPJGWDEJLB-GFCCVEGCSA-N 0 3 243.354 3.003 20 0 BGADHN C[C@@H](CCC1CC1)NCc1cn2ccccc2n1 ZINC000274393070 389047212 /nfs/dbraw/zinc/04/72/12/389047212.db2.gz LFIMPPJGWDEJLB-LBPRGKRZSA-N 0 3 243.354 3.003 20 0 BGADHN CN(Cc1cncc(F)c1)C1CCCCCC1 ZINC000274405028 386099623 /nfs/dbraw/zinc/09/96/23/386099623.db2.gz YQDBEAXRWDRNTI-UHFFFAOYSA-N 0 3 236.334 3.375 20 0 BGADHN Fc1cncc(CN2CCC3(C2)CCCCC3)c1 ZINC000274410316 181019760 /nfs/dbraw/zinc/01/97/60/181019760.db2.gz ZVUIZZXDNQJFBE-UHFFFAOYSA-N 0 3 248.345 3.377 20 0 BGADHN CO[C@H](C)[C@@H](C)NCc1c(C)oc2ccccc21 ZINC000274426586 174843816 /nfs/dbraw/zinc/84/38/16/174843816.db2.gz UXAICUJYMJGGRC-GHMZBOCLSA-N 0 3 247.338 3.254 20 0 BGADHN CO[C@@H](C)[C@@H](C)NCc1c(C)oc2ccccc21 ZINC000274426588 386102680 /nfs/dbraw/zinc/10/26/80/386102680.db2.gz UXAICUJYMJGGRC-MNOVXSKESA-N 0 3 247.338 3.254 20 0 BGADHN CCn1nc(CN(C)CC(C)C)c2ccccc21 ZINC000274454012 386104909 /nfs/dbraw/zinc/10/49/09/386104909.db2.gz ASWIDTZGVNVQBR-UHFFFAOYSA-N 0 3 245.370 3.144 20 0 BGADHN CC/C=C/CCN[C@@H](CCOC)c1ccco1 ZINC000274456431 386105978 /nfs/dbraw/zinc/10/59/78/386105978.db2.gz LMGUIZBOAQRNSS-IHVVCDCBSA-N 0 3 237.343 3.303 20 0 BGADHN CC/C=C/CCN[C@H](CCOC)c1ccco1 ZINC000274456432 386106329 /nfs/dbraw/zinc/10/63/29/386106329.db2.gz LMGUIZBOAQRNSS-MUBLQREKSA-N 0 3 237.343 3.303 20 0 BGADHN COc1ccsc1CN1CCCC2(CC2)C1 ZINC000274478617 175377594 /nfs/dbraw/zinc/37/75/94/175377594.db2.gz LYPDZZYACAYZCS-UHFFFAOYSA-N 0 3 237.368 3.133 20 0 BGADHN C[C@H](c1cccnc1)N1CCCC2(CC2)C1 ZINC000274500271 177045449 /nfs/dbraw/zinc/04/54/49/177045449.db2.gz JACDQLCLWYDUOA-GFCCVEGCSA-N 0 3 216.328 3.019 20 0 BGADHN C[C@@H](c1cccnc1)N1CCCC2(CC2)C1 ZINC000274500274 176028910 /nfs/dbraw/zinc/02/89/10/176028910.db2.gz JACDQLCLWYDUOA-LBPRGKRZSA-N 0 3 216.328 3.019 20 0 BGADHN CCn1nc(CN2CCC[C@H]2C)c2ccccc21 ZINC000274532487 386114289 /nfs/dbraw/zinc/11/42/89/386114289.db2.gz DQJIUFVZSIIHGL-GFCCVEGCSA-N 0 3 243.354 3.041 20 0 BGADHN CCn1nc(CN2CCC[C@@H]2C)c2ccccc21 ZINC000274532488 386114538 /nfs/dbraw/zinc/11/45/38/386114538.db2.gz DQJIUFVZSIIHGL-LBPRGKRZSA-N 0 3 243.354 3.041 20 0 BGADHN COc1ccsc1[C@@H](C)NC1CC(C)C1 ZINC000274580087 175380192 /nfs/dbraw/zinc/38/01/92/175380192.db2.gz KPWOCLNEZAAVNZ-HWOCKDDLSA-N 0 3 225.357 3.206 20 0 BGADHN COc1ccsc1[C@H](C)NC1CC(C)C1 ZINC000274580088 175379250 /nfs/dbraw/zinc/37/92/50/175379250.db2.gz KPWOCLNEZAAVNZ-KYHHOPLUSA-N 0 3 225.357 3.206 20 0 BGADHN CCn1nc(CN(C)C2CCC2)c2ccccc21 ZINC000274600412 188201068 /nfs/dbraw/zinc/20/10/68/188201068.db2.gz RBFKZTMSVRELNO-UHFFFAOYSA-N 0 3 243.354 3.041 20 0 BGADHN CCN(Cc1nn(CC)c2ccccc12)C(C)C ZINC000274611080 351574340 /nfs/dbraw/zinc/57/43/40/351574340.db2.gz UMPBIJLYBXUFRW-UHFFFAOYSA-N 0 3 245.370 3.287 20 0 BGADHN COc1ccsc1[C@@H](C)N[C@@H]1CC1(C)C ZINC000274628436 175379234 /nfs/dbraw/zinc/37/92/34/175379234.db2.gz YQQXVINIAPUQIP-PSASIEDQSA-N 0 3 225.357 3.206 20 0 BGADHN COc1ccsc1[C@@H](C)N[C@H]1CC1(C)C ZINC000274628439 175379476 /nfs/dbraw/zinc/37/94/76/175379476.db2.gz YQQXVINIAPUQIP-SCZZXKLOSA-N 0 3 225.357 3.206 20 0 BGADHN COc1ccsc1[C@H](C)N[C@@H]1CC1(C)C ZINC000274628440 175380299 /nfs/dbraw/zinc/38/02/99/175380299.db2.gz YQQXVINIAPUQIP-WCBMZHEXSA-N 0 3 225.357 3.206 20 0 BGADHN COc1ccsc1[C@H](C)N[C@H]1CC1(C)C ZINC000274628441 175380583 /nfs/dbraw/zinc/38/05/83/175380583.db2.gz YQQXVINIAPUQIP-WPRPVWTQSA-N 0 3 225.357 3.206 20 0 BGADHN CCCC[C@@H](CC)N[C@H](CCO)c1ccco1 ZINC000274680701 351576657 /nfs/dbraw/zinc/57/66/57/351576657.db2.gz REKRRBUVINISRS-CHWSQXEVSA-N 0 3 239.359 3.262 20 0 BGADHN CCCC[C@@H](CC)N[C@@H](CCO)c1ccco1 ZINC000274680704 351576956 /nfs/dbraw/zinc/57/69/56/351576956.db2.gz REKRRBUVINISRS-OLZOCXBDSA-N 0 3 239.359 3.262 20 0 BGADHN CCCC[C@H](CC)N[C@H](CCO)c1ccco1 ZINC000274680705 351577457 /nfs/dbraw/zinc/57/74/57/351577457.db2.gz REKRRBUVINISRS-QWHCGFSZSA-N 0 3 239.359 3.262 20 0 BGADHN CCCC[C@H](CC)N[C@@H](CCO)c1ccco1 ZINC000274680706 351577570 /nfs/dbraw/zinc/57/75/70/351577570.db2.gz REKRRBUVINISRS-STQMWFEESA-N 0 3 239.359 3.262 20 0 BGADHN CC(C)CN[C@H](C)c1ccc(Cl)cn1 ZINC000274748427 167013211 /nfs/dbraw/zinc/01/32/11/167013211.db2.gz BARQJGXWXQTHRR-SECBINFHSA-N 0 3 212.724 3.042 20 0 BGADHN CC(C)CN[C@@H](C)c1ccc(Cl)cn1 ZINC000274748430 386383844 /nfs/dbraw/zinc/38/38/44/386383844.db2.gz BARQJGXWXQTHRR-VIFPVBQESA-N 0 3 212.724 3.042 20 0 BGADHN Cc1cc(NCCC(C)(C)O)c2ccccc2n1 ZINC000274752197 178158365 /nfs/dbraw/zinc/15/83/65/178158365.db2.gz HUHVJSLPAOCFQR-UHFFFAOYSA-N 0 3 244.338 3.116 20 0 BGADHN C[C@H](N[C@@H]1CC1(C)C)c1ccc(Cl)cn1 ZINC000274759469 386393246 /nfs/dbraw/zinc/39/32/46/386393246.db2.gz JSZXANNDVODVAP-GZMMTYOYSA-N 0 3 224.735 3.184 20 0 BGADHN C[C@@H](N[C@H]1CC1(C)C)c1ccc(Cl)cn1 ZINC000274759470 386394201 /nfs/dbraw/zinc/39/42/01/386394201.db2.gz JSZXANNDVODVAP-KCJUWKMLSA-N 0 3 224.735 3.184 20 0 BGADHN C[C@H](N[C@H]1CC1(C)C)c1ccc(Cl)cn1 ZINC000274759471 386393350 /nfs/dbraw/zinc/39/33/50/386393350.db2.gz JSZXANNDVODVAP-KWQFWETISA-N 0 3 224.735 3.184 20 0 BGADHN C[C@@H](N[C@@H]1CC1(C)C)c1ccc(Cl)cn1 ZINC000274759473 386392577 /nfs/dbraw/zinc/39/25/77/386392577.db2.gz JSZXANNDVODVAP-LDYMZIIASA-N 0 3 224.735 3.184 20 0 BGADHN CC1(C)CC[C@@H](CN2CCC[C@@H]2c2ccc[nH]2)O1 ZINC000274766553 167926960 /nfs/dbraw/zinc/92/69/60/167926960.db2.gz GDYXVOIDJSFJEQ-GXTWGEPZSA-N 0 3 248.370 3.109 20 0 BGADHN CC1(C)CC[C@@H](CN2CCC[C@H]2c2ccc[nH]2)O1 ZINC000274766556 351581444 /nfs/dbraw/zinc/58/14/44/351581444.db2.gz GDYXVOIDJSFJEQ-JSGCOSHPSA-N 0 3 248.370 3.109 20 0 BGADHN CC1(C)CC[C@H](CN2CCC[C@H]2c2ccc[nH]2)O1 ZINC000274766560 351581622 /nfs/dbraw/zinc/58/16/22/351581622.db2.gz GDYXVOIDJSFJEQ-OCCSQVGLSA-N 0 3 248.370 3.109 20 0 BGADHN CC1(C)CC[C@H](CN2CCC[C@@H]2c2ccc[nH]2)O1 ZINC000274766563 351581594 /nfs/dbraw/zinc/58/15/94/351581594.db2.gz GDYXVOIDJSFJEQ-TZMCWYRMSA-N 0 3 248.370 3.109 20 0 BGADHN CN(Cc1cccs1)C[C@H]1CCC(C)(C)O1 ZINC000274808431 386152349 /nfs/dbraw/zinc/15/23/49/386152349.db2.gz XGLLAPIJOLONSZ-LLVKDONJSA-N 0 3 239.384 3.138 20 0 BGADHN CN(Cc1cccs1)C[C@@H]1CCC(C)(C)O1 ZINC000274808432 386152107 /nfs/dbraw/zinc/15/21/07/386152107.db2.gz XGLLAPIJOLONSZ-NSHDSACASA-N 0 3 239.384 3.138 20 0 BGADHN COC1(CNCc2occc2C)CCCCC1 ZINC000274813020 187237872 /nfs/dbraw/zinc/23/78/72/187237872.db2.gz QUIVRONMYRDFTA-UHFFFAOYSA-N 0 3 237.343 3.027 20 0 BGADHN CCCc1cccc(CN[C@H](C)c2cn[nH]c2)c1 ZINC000274822172 386155332 /nfs/dbraw/zinc/15/53/32/386155332.db2.gz SARLPISXQRDIKR-GFCCVEGCSA-N 0 3 243.354 3.213 20 0 BGADHN CCCc1cccc(CN[C@@H](C)c2cn[nH]c2)c1 ZINC000274822174 386155409 /nfs/dbraw/zinc/15/54/09/386155409.db2.gz SARLPISXQRDIKR-LBPRGKRZSA-N 0 3 243.354 3.213 20 0 BGADHN C[C@@H](N[C@@H](C)c1ccc(Cl)cn1)C1CC1 ZINC000274857659 389049544 /nfs/dbraw/zinc/04/95/44/389049544.db2.gz CJGFFBWMHFFUKY-BDAKNGLRSA-N 0 3 224.735 3.184 20 0 BGADHN C[C@@H](N[C@@H](C)C1CC1)c1ccc(Cl)cn1 ZINC000274857662 389049730 /nfs/dbraw/zinc/04/97/30/389049730.db2.gz CJGFFBWMHFFUKY-DTWKUNHWSA-N 0 3 224.735 3.184 20 0 BGADHN C[C@H](N[C@@H](C)C1CC1)c1ccc(Cl)cn1 ZINC000274857664 176886919 /nfs/dbraw/zinc/88/69/19/176886919.db2.gz CJGFFBWMHFFUKY-IUCAKERBSA-N 0 3 224.735 3.184 20 0 BGADHN C[C@@H](N[C@H](C)C1CC1)c1ccc(Cl)cn1 ZINC000274857667 389048981 /nfs/dbraw/zinc/04/89/81/389048981.db2.gz CJGFFBWMHFFUKY-RKDXNWHRSA-N 0 3 224.735 3.184 20 0 BGADHN CS[C@H](C)CN[C@@H](C)c1ccc(Cl)cn1 ZINC000274858872 389049968 /nfs/dbraw/zinc/04/99/68/389049968.db2.gz CNLMSSMZBGFEPE-BDAKNGLRSA-N 0 3 244.791 3.137 20 0 BGADHN CS[C@@H](C)CN[C@H](C)c1ccc(Cl)cn1 ZINC000274858874 389049487 /nfs/dbraw/zinc/04/94/87/389049487.db2.gz CNLMSSMZBGFEPE-DTWKUNHWSA-N 0 3 244.791 3.137 20 0 BGADHN CS[C@@H](C)CN[C@@H](C)c1ccc(Cl)cn1 ZINC000274858876 389050108 /nfs/dbraw/zinc/05/01/08/389050108.db2.gz CNLMSSMZBGFEPE-IUCAKERBSA-N 0 3 244.791 3.137 20 0 BGADHN CS[C@H](C)CN[C@H](C)c1ccc(Cl)cn1 ZINC000274858879 387494201 /nfs/dbraw/zinc/49/42/01/387494201.db2.gz CNLMSSMZBGFEPE-RKDXNWHRSA-N 0 3 244.791 3.137 20 0 BGADHN CC(C)(NCc1cnc[nH]1)c1ccc(Cl)cc1 ZINC000274862495 188200789 /nfs/dbraw/zinc/20/07/89/188200789.db2.gz PZZVQCCRCWVKCT-UHFFFAOYSA-N 0 3 249.745 3.088 20 0 BGADHN C[C@@H](NCCC1CC1)c1ccc(Cl)cn1 ZINC000274871517 538110189 /nfs/dbraw/zinc/11/01/89/538110189.db2.gz FUVMVWJDTWPYSM-SECBINFHSA-N 0 3 224.735 3.186 20 0 BGADHN C[C@H](NCCC1CC1)c1ccc(Cl)cn1 ZINC000274871520 538930677 /nfs/dbraw/zinc/93/06/77/538930677.db2.gz FUVMVWJDTWPYSM-VIFPVBQESA-N 0 3 224.735 3.186 20 0 BGADHN C[C@H](NC[C@@H]1C[C@@H]1C)c1ccc(Cl)cn1 ZINC000274881209 384609950 /nfs/dbraw/zinc/60/99/50/384609950.db2.gz HLUDXTBBQRBMCU-GUBZILKMSA-N 0 3 224.735 3.042 20 0 BGADHN C[C@H](NC[C@H]1C[C@H]1C)c1ccc(Cl)cn1 ZINC000274881210 384611030 /nfs/dbraw/zinc/61/10/30/384611030.db2.gz HLUDXTBBQRBMCU-KXUCPTDWSA-N 0 3 224.735 3.042 20 0 BGADHN C[C@H](NC[C@H]1C[C@@H]1C)c1ccc(Cl)cn1 ZINC000274881211 384614540 /nfs/dbraw/zinc/61/45/40/384614540.db2.gz HLUDXTBBQRBMCU-LPEHRKFASA-N 0 3 224.735 3.042 20 0 BGADHN C[C@H](NC[C@@H]1C[C@H]1C)c1ccc(Cl)cn1 ZINC000274881212 384613716 /nfs/dbraw/zinc/61/37/16/384613716.db2.gz HLUDXTBBQRBMCU-UTLUCORTSA-N 0 3 224.735 3.042 20 0 BGADHN C[C@@H](NCC1CCC1)c1ccc(Cl)cn1 ZINC000274893633 389050100 /nfs/dbraw/zinc/05/01/00/389050100.db2.gz JVZWMJGGMXGBFY-SECBINFHSA-N 0 3 224.735 3.186 20 0 BGADHN C[C@H](NCC1CCC1)c1ccc(Cl)cn1 ZINC000274893634 389048851 /nfs/dbraw/zinc/04/88/51/389048851.db2.gz JVZWMJGGMXGBFY-VIFPVBQESA-N 0 3 224.735 3.186 20 0 BGADHN CSC[C@@H](C)N[C@@H](C)c1ccc(Cl)cn1 ZINC000274893692 389049376 /nfs/dbraw/zinc/04/93/76/389049376.db2.gz JXTWEPMNAOXMBN-BDAKNGLRSA-N 0 3 244.791 3.137 20 0 BGADHN CSC[C@H](C)N[C@H](C)c1ccc(Cl)cn1 ZINC000274894693 175524495 /nfs/dbraw/zinc/52/44/95/175524495.db2.gz JXTWEPMNAOXMBN-DTWKUNHWSA-N 0 3 244.791 3.137 20 0 BGADHN CSC[C@H](C)N[C@@H](C)c1ccc(Cl)cn1 ZINC000274894694 389050143 /nfs/dbraw/zinc/05/01/43/389050143.db2.gz JXTWEPMNAOXMBN-IUCAKERBSA-N 0 3 244.791 3.137 20 0 BGADHN CSC[C@@H](C)N[C@H](C)c1ccc(Cl)cn1 ZINC000274894695 389049753 /nfs/dbraw/zinc/04/97/53/389049753.db2.gz JXTWEPMNAOXMBN-RKDXNWHRSA-N 0 3 244.791 3.137 20 0 BGADHN COCC1=CCN(Cc2ccc(C)c(C)c2)CC1 ZINC000274904113 174116354 /nfs/dbraw/zinc/11/63/54/174116354.db2.gz HXVICZOTPGWOOW-UHFFFAOYSA-N 0 3 245.366 3.082 20 0 BGADHN COCc1ccc(CN2CCCC[C@@H](C)C2)o1 ZINC000274910845 411439355 /nfs/dbraw/zinc/43/93/55/411439355.db2.gz JXWHZQUKSSYTCV-GFCCVEGCSA-N 0 3 237.343 3.048 20 0 BGADHN COCc1ccc(CN2CCCC[C@H](C)C2)o1 ZINC000274910847 411439498 /nfs/dbraw/zinc/43/94/98/411439498.db2.gz JXWHZQUKSSYTCV-LBPRGKRZSA-N 0 3 237.343 3.048 20 0 BGADHN CC(C)CCN[C@@H](C)c1ccc(Cl)cn1 ZINC000274912271 389049236 /nfs/dbraw/zinc/04/92/36/389049236.db2.gz NMDXPYMNLDJRPF-JTQLQIEISA-N 0 3 226.751 3.432 20 0 BGADHN CC(C)CCN[C@H](C)c1ccc(Cl)cn1 ZINC000274912273 389049976 /nfs/dbraw/zinc/04/99/76/389049976.db2.gz NMDXPYMNLDJRPF-SNVBAGLBSA-N 0 3 226.751 3.432 20 0 BGADHN CSCCCN[C@H](C)c1ccc(Cl)cn1 ZINC000274942987 389051829 /nfs/dbraw/zinc/05/18/29/389051829.db2.gz TXMQQTDCUXBRAA-SECBINFHSA-N 0 3 244.791 3.139 20 0 BGADHN CSCCCN[C@@H](C)c1ccc(Cl)cn1 ZINC000274942989 389051381 /nfs/dbraw/zinc/05/13/81/389051381.db2.gz TXMQQTDCUXBRAA-VIFPVBQESA-N 0 3 244.791 3.139 20 0 BGADHN CCCCN[C@H](C)c1ccc(Cl)cn1 ZINC000274950366 389052091 /nfs/dbraw/zinc/05/20/91/389052091.db2.gz VBNMXJWPSUEAOQ-SECBINFHSA-N 0 3 212.724 3.186 20 0 BGADHN CCCCN[C@@H](C)c1ccc(Cl)cn1 ZINC000274950367 389051471 /nfs/dbraw/zinc/05/14/71/389051471.db2.gz VBNMXJWPSUEAOQ-VIFPVBQESA-N 0 3 212.724 3.186 20 0 BGADHN CC[C@H]1[C@@H](C)CCN1Cc1cccc(O)c1OC ZINC000274951121 386166178 /nfs/dbraw/zinc/16/61/78/386166178.db2.gz SFMCSVAUPDFSFN-AAEUAGOBSA-N 0 3 249.354 3.021 20 0 BGADHN CC[C@@H]1[C@H](C)CCN1Cc1cccc(O)c1OC ZINC000274951123 171160328 /nfs/dbraw/zinc/16/03/28/171160328.db2.gz SFMCSVAUPDFSFN-DGCLKSJQSA-N 0 3 249.354 3.021 20 0 BGADHN CC[C@@H]1[C@@H](C)CCN1Cc1cccc(O)c1OC ZINC000274951125 171155662 /nfs/dbraw/zinc/15/56/62/171155662.db2.gz SFMCSVAUPDFSFN-WCQYABFASA-N 0 3 249.354 3.021 20 0 BGADHN CC[C@H]1[C@H](C)CCN1Cc1cccc(O)c1OC ZINC000274951127 386165754 /nfs/dbraw/zinc/16/57/54/386165754.db2.gz SFMCSVAUPDFSFN-YPMHNXCESA-N 0 3 249.354 3.021 20 0 BGADHN C[C@@H](NC1CCCC1)c1ccc(Cl)cn1 ZINC000274951874 383896480 /nfs/dbraw/zinc/89/64/80/383896480.db2.gz VIDPFFNDUNWTLF-SECBINFHSA-N 0 3 224.735 3.328 20 0 BGADHN C[C@H](NC1CCCC1)c1ccc(Cl)cn1 ZINC000274951875 383897422 /nfs/dbraw/zinc/89/74/22/383897422.db2.gz VIDPFFNDUNWTLF-VIFPVBQESA-N 0 3 224.735 3.328 20 0 BGADHN CC[C@@H](C)N[C@@H](C)c1ccc(Cl)cn1 ZINC000274962964 387498294 /nfs/dbraw/zinc/49/82/94/387498294.db2.gz WYUXUVZSXSPNJD-BDAKNGLRSA-N 0 3 212.724 3.184 20 0 BGADHN CC[C@H](C)N[C@H](C)c1ccc(Cl)cn1 ZINC000274962965 171347851 /nfs/dbraw/zinc/34/78/51/171347851.db2.gz WYUXUVZSXSPNJD-DTWKUNHWSA-N 0 3 212.724 3.184 20 0 BGADHN CC[C@H](C)N[C@@H](C)c1ccc(Cl)cn1 ZINC000274962966 171345929 /nfs/dbraw/zinc/34/59/29/171345929.db2.gz WYUXUVZSXSPNJD-IUCAKERBSA-N 0 3 212.724 3.184 20 0 BGADHN CC[C@@H](C)N[C@H](C)c1ccc(Cl)cn1 ZINC000274962967 389051487 /nfs/dbraw/zinc/05/14/87/389051487.db2.gz WYUXUVZSXSPNJD-RKDXNWHRSA-N 0 3 212.724 3.184 20 0 BGADHN C[C@@H](NCC(C)(C)C)c1ccc(Cl)cn1 ZINC000274966149 389052617 /nfs/dbraw/zinc/05/26/17/389052617.db2.gz XIRRMTJGFNFDDD-SECBINFHSA-N 0 3 226.751 3.432 20 0 BGADHN C[C@H](NCC(C)(C)C)c1ccc(Cl)cn1 ZINC000274966151 389052306 /nfs/dbraw/zinc/05/23/06/389052306.db2.gz XIRRMTJGFNFDDD-VIFPVBQESA-N 0 3 226.751 3.432 20 0 BGADHN C[C@@H](NC1CC(C)C1)c1ccc(Cl)cn1 ZINC000274979717 168147985 /nfs/dbraw/zinc/14/79/85/168147985.db2.gz ZAWGABZFZRGMAD-INWMGODYSA-N 0 3 224.735 3.184 20 0 BGADHN C[C@H](NC1CC(C)C1)c1ccc(Cl)cn1 ZINC000274979720 168146486 /nfs/dbraw/zinc/14/64/86/168146486.db2.gz ZAWGABZFZRGMAD-YUCVTWSNSA-N 0 3 224.735 3.184 20 0 BGADHN Cc1ncc(CN(C)CCCC(C)C)s1 ZINC000275093756 180137538 /nfs/dbraw/zinc/13/75/38/180137538.db2.gz CVCLXHORRCDUBR-UHFFFAOYSA-N 0 3 226.389 3.320 20 0 BGADHN CC(C)(C)[C@H]1CCCN1Cc1cncc(F)c1 ZINC000275097925 187337737 /nfs/dbraw/zinc/33/77/37/187337737.db2.gz BIWPTZFBUFBLPI-CYBMUJFWSA-N 0 3 236.334 3.231 20 0 BGADHN CC(C)(C)[C@@H]1CCCN1Cc1cncc(F)c1 ZINC000275097926 386180688 /nfs/dbraw/zinc/18/06/88/386180688.db2.gz BIWPTZFBUFBLPI-ZDUSSCGKSA-N 0 3 236.334 3.231 20 0 BGADHN CC(C)CCN(Cc1cncc(F)c1)C1CC1 ZINC000275100160 538931074 /nfs/dbraw/zinc/93/10/74/538931074.db2.gz BYRAVRSOJMDWTR-UHFFFAOYSA-N 0 3 236.334 3.231 20 0 BGADHN CCN(Cc1cncc(F)c1)C1CCCCC1 ZINC000275101366 386180931 /nfs/dbraw/zinc/18/09/31/386180931.db2.gz CMOGESQJPUOGSZ-UHFFFAOYSA-N 0 3 236.334 3.375 20 0 BGADHN C[C@@H]1CCC[C@@H](N(C)Cc2cncc(F)c2)C1 ZINC000275101379 176120286 /nfs/dbraw/zinc/12/02/86/176120286.db2.gz CMVKLBWKHLMXQW-BXUZGUMPSA-N 0 3 236.334 3.231 20 0 BGADHN C[C@H]1CCC[C@H](N(C)Cc2cncc(F)c2)C1 ZINC000275101384 177133870 /nfs/dbraw/zinc/13/38/70/177133870.db2.gz CMVKLBWKHLMXQW-FZMZJTMJSA-N 0 3 236.334 3.231 20 0 BGADHN C[C@@H]1CCC[C@H](N(C)Cc2cncc(F)c2)C1 ZINC000275101387 176140333 /nfs/dbraw/zinc/14/03/33/176140333.db2.gz CMVKLBWKHLMXQW-RISCZKNCSA-N 0 3 236.334 3.231 20 0 BGADHN C[C@H]1CCC[C@@H](N(C)Cc2cncc(F)c2)C1 ZINC000275101391 177121095 /nfs/dbraw/zinc/12/10/95/177121095.db2.gz CMVKLBWKHLMXQW-SMDDNHRTSA-N 0 3 236.334 3.231 20 0 BGADHN CC1(C)CCCN(Cc2cncc(F)c2)CC1 ZINC000275102559 386179945 /nfs/dbraw/zinc/17/99/45/386179945.db2.gz CWELIBKGXHHBRS-UHFFFAOYSA-N 0 3 236.334 3.233 20 0 BGADHN CC(C)[C@@H]1CCCCN1Cc1cncc(F)c1 ZINC000275103737 386180912 /nfs/dbraw/zinc/18/09/12/386180912.db2.gz DCFKWKAGSLDSTD-AWEZNQCLSA-N 0 3 236.334 3.231 20 0 BGADHN CC(C)[C@H]1CCCCN1Cc1cncc(F)c1 ZINC000275103739 386180540 /nfs/dbraw/zinc/18/05/40/386180540.db2.gz DCFKWKAGSLDSTD-CQSZACIVSA-N 0 3 236.334 3.231 20 0 BGADHN CCC[C@@H]1CCCN(Cc2cncc(F)c2)C1 ZINC000275116066 386181693 /nfs/dbraw/zinc/18/16/93/386181693.db2.gz HSYGDZGSWPDHIH-GFCCVEGCSA-N 0 3 236.334 3.233 20 0 BGADHN CCC[C@H]1CCCN(Cc2cncc(F)c2)C1 ZINC000275116068 386183698 /nfs/dbraw/zinc/18/36/98/386183698.db2.gz HSYGDZGSWPDHIH-LBPRGKRZSA-N 0 3 236.334 3.233 20 0 BGADHN C[C@@H]1CCN(Cc2cncc(F)c2)C[C@@H](C)C1 ZINC000275119873 176176956 /nfs/dbraw/zinc/17/69/56/176176956.db2.gz JAEMNCYLCQIQLR-NEPJUHHUSA-N 0 3 236.334 3.089 20 0 BGADHN C[C@H]1CCN(Cc2cncc(F)c2)C[C@H](C)C1 ZINC000275119875 177167107 /nfs/dbraw/zinc/16/71/07/177167107.db2.gz JAEMNCYLCQIQLR-NWDGAFQWSA-N 0 3 236.334 3.089 20 0 BGADHN C[C@H]1CCN(Cc2cncc(F)c2)C[C@@H](C)C1 ZINC000275119877 177310457 /nfs/dbraw/zinc/31/04/57/177310457.db2.gz JAEMNCYLCQIQLR-RYUDHWBXSA-N 0 3 236.334 3.089 20 0 BGADHN C[C@@H]1C[C@H](C)CCN(Cc2cncc(F)c2)C1 ZINC000275119879 176177737 /nfs/dbraw/zinc/17/77/37/176177737.db2.gz JAEMNCYLCQIQLR-VXGBXAGGSA-N 0 3 236.334 3.089 20 0 BGADHN Cc1ncsc1CN(C)CCCC(C)C ZINC000275119918 180313266 /nfs/dbraw/zinc/31/32/66/180313266.db2.gz GWELUTJWYJLSHX-UHFFFAOYSA-N 0 3 226.389 3.320 20 0 BGADHN C[C@@H]1CN(Cc2cncc(F)c2)[C@@H]2CCCC[C@H]21 ZINC000275121099 176310589 /nfs/dbraw/zinc/31/05/89/176310589.db2.gz JEDJEALKUPICIB-BYCMXARLSA-N 0 3 248.345 3.231 20 0 BGADHN C[C@@H]1CN(Cc2cncc(F)c2)[C@H]2CCCC[C@H]12 ZINC000275121100 176310191 /nfs/dbraw/zinc/31/01/91/176310191.db2.gz JEDJEALKUPICIB-DFBGVHRSSA-N 0 3 248.345 3.231 20 0 BGADHN C[C@@H]1CN(Cc2cncc(F)c2)[C@@H]2CCCC[C@@H]21 ZINC000275121101 176310982 /nfs/dbraw/zinc/31/09/82/176310982.db2.gz JEDJEALKUPICIB-KCPJHIHWSA-N 0 3 248.345 3.231 20 0 BGADHN C[C@@H]1CN(Cc2cncc(F)c2)[C@H]2CCCC[C@@H]12 ZINC000275121102 176310669 /nfs/dbraw/zinc/31/06/69/176310669.db2.gz JEDJEALKUPICIB-UGFHNGPFSA-N 0 3 248.345 3.231 20 0 BGADHN CN(Cc1cncc(F)c1)CC1CCCCC1 ZINC000275132694 386182450 /nfs/dbraw/zinc/18/24/50/386182450.db2.gz MLDSOAYGPBZNGC-UHFFFAOYSA-N 0 3 236.334 3.233 20 0 BGADHN Fc1cncc(CN2CCC3(CCCC3)CC2)c1 ZINC000275135241 181019425 /nfs/dbraw/zinc/01/94/25/181019425.db2.gz MYVHOOWLSQQMEB-UHFFFAOYSA-N 0 3 248.345 3.377 20 0 BGADHN CC(C)(NCc1cncc(F)c1)c1ccccc1 ZINC000275144001 188379480 /nfs/dbraw/zinc/37/94/80/188379480.db2.gz FGAPJNHCMFNMQE-UHFFFAOYSA-N 0 3 244.313 3.246 20 0 BGADHN CCC1(CC)CCN(Cc2cncc(F)c2)C1 ZINC000275144121 386186248 /nfs/dbraw/zinc/18/62/48/386186248.db2.gz PQXCOQYTLKPWDT-UHFFFAOYSA-N 0 3 236.334 3.233 20 0 BGADHN CC(C)C[C@H]1CCN(Cc2cncc(F)c2)C1 ZINC000275145223 188378829 /nfs/dbraw/zinc/37/88/29/188378829.db2.gz QBIDZMDDZQAPAP-GFCCVEGCSA-N 0 3 236.334 3.089 20 0 BGADHN CC(C)C[C@@H]1CCN(Cc2cncc(F)c2)C1 ZINC000275145226 188201106 /nfs/dbraw/zinc/20/11/06/188201106.db2.gz QBIDZMDDZQAPAP-LBPRGKRZSA-N 0 3 236.334 3.089 20 0 BGADHN Fc1cncc(CN2CCC[C@@H]3CCCC[C@H]32)c1 ZINC000275148359 181019999 /nfs/dbraw/zinc/01/99/99/181019999.db2.gz RDWLRERCVLIFFF-DZGCQCFKSA-N 0 3 248.345 3.375 20 0 BGADHN Fc1cncc(CN2CCC[C@H]3CCCC[C@@H]32)c1 ZINC000275148360 181019278 /nfs/dbraw/zinc/01/92/78/181019278.db2.gz RDWLRERCVLIFFF-HIFRSBDPSA-N 0 3 248.345 3.375 20 0 BGADHN Fc1cncc(CN2CCC[C@H]3CCCC[C@H]32)c1 ZINC000275148361 181019897 /nfs/dbraw/zinc/01/98/97/181019897.db2.gz RDWLRERCVLIFFF-UKRRQHHQSA-N 0 3 248.345 3.375 20 0 BGADHN Fc1cncc(CN2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC000275148362 181019271 /nfs/dbraw/zinc/01/92/71/181019271.db2.gz RDWLRERCVLIFFF-ZFWWWQNUSA-N 0 3 248.345 3.375 20 0 BGADHN CCC[C@H]1CCCCN1Cc1cncc(F)c1 ZINC000275170371 386187249 /nfs/dbraw/zinc/18/72/49/386187249.db2.gz XDQAWPQVNBLTEI-AWEZNQCLSA-N 0 3 236.334 3.375 20 0 BGADHN CCC[C@@H]1CCCCN1Cc1cncc(F)c1 ZINC000275170374 386186881 /nfs/dbraw/zinc/18/68/81/386186881.db2.gz XDQAWPQVNBLTEI-CQSZACIVSA-N 0 3 236.334 3.375 20 0 BGADHN Cc1cc(C)nc(NC2CC(OC(C)C)C2)c1 ZINC000275171662 177942120 /nfs/dbraw/zinc/94/21/20/177942120.db2.gz XPSYQANCHNWADX-UHFFFAOYSA-N 0 3 234.343 3.066 20 0 BGADHN CC[C@@H](C)CN(CC)Cc1cncc(F)c1 ZINC000275172493 386186967 /nfs/dbraw/zinc/18/69/67/386186967.db2.gz XWLZMKWPUPTAFN-LLVKDONJSA-N 0 3 224.323 3.089 20 0 BGADHN CC[C@H](C)CN(CC)Cc1cncc(F)c1 ZINC000275172494 171278541 /nfs/dbraw/zinc/27/85/41/171278541.db2.gz XWLZMKWPUPTAFN-NSHDSACASA-N 0 3 224.323 3.089 20 0 BGADHN CCCC[C@H](C)N(C)Cc1cnc(C)s1 ZINC000275194669 351594797 /nfs/dbraw/zinc/59/47/97/351594797.db2.gz MVHNTVUIQNIWQP-JTQLQIEISA-N 0 3 226.389 3.462 20 0 BGADHN CCCC[C@@H](C)N(C)Cc1cnc(C)s1 ZINC000275194670 351594255 /nfs/dbraw/zinc/59/42/55/351594255.db2.gz MVHNTVUIQNIWQP-SNVBAGLBSA-N 0 3 226.389 3.462 20 0 BGADHN c1csc(CN2CCC[C@H]2c2ccncc2)c1 ZINC000275305482 386199677 /nfs/dbraw/zinc/19/96/77/386199677.db2.gz QLENLXDAAFLFBU-AWEZNQCLSA-N 0 3 244.363 3.480 20 0 BGADHN c1csc(CN2CCC[C@@H]2c2ccncc2)c1 ZINC000275305484 386198146 /nfs/dbraw/zinc/19/81/46/386198146.db2.gz QLENLXDAAFLFBU-CQSZACIVSA-N 0 3 244.363 3.480 20 0 BGADHN CN(Cc1cc(F)cc(Cl)c1)C1CC1 ZINC000275321930 386201285 /nfs/dbraw/zinc/20/12/85/386201285.db2.gz TYEIJMBLENMNFZ-UHFFFAOYSA-N 0 3 213.683 3.073 20 0 BGADHN CN(CCCC(C)(C)C)Cc1cccnc1 ZINC000275434452 386211239 /nfs/dbraw/zinc/21/12/39/386211239.db2.gz IFCLENHDUAAVEB-UHFFFAOYSA-N 0 3 220.360 3.340 20 0 BGADHN CC(C)(C)CCCN[C@H](CCO)c1ccco1 ZINC000275476309 411440293 /nfs/dbraw/zinc/44/02/93/411440293.db2.gz PNXXFWJGPDWEHL-GFCCVEGCSA-N 0 3 239.359 3.119 20 0 BGADHN CC(C)(C)CCCN[C@@H](CCO)c1ccco1 ZINC000275476312 411441124 /nfs/dbraw/zinc/44/11/24/411441124.db2.gz PNXXFWJGPDWEHL-LBPRGKRZSA-N 0 3 239.359 3.119 20 0 BGADHN CCCC[C@@H](C)N(C)Cc1ccccn1 ZINC000275493846 386217532 /nfs/dbraw/zinc/21/75/32/386217532.db2.gz BHYHXJNLIHSEPI-GFCCVEGCSA-N 0 3 206.333 3.092 20 0 BGADHN CCCC[C@H](C)N(C)Cc1ccccn1 ZINC000275493849 386217570 /nfs/dbraw/zinc/21/75/70/386217570.db2.gz BHYHXJNLIHSEPI-LBPRGKRZSA-N 0 3 206.333 3.092 20 0 BGADHN COCc1ccc(CNCC(C)(C)C(C)C)o1 ZINC000275551517 388345076 /nfs/dbraw/zinc/34/50/76/388345076.db2.gz CAZMXPQZLFSMLF-UHFFFAOYSA-N 0 3 239.359 3.198 20 0 BGADHN CCCC[C@H](C)N(C)Cc1scnc1C ZINC000275572278 351601266 /nfs/dbraw/zinc/60/12/66/351601266.db2.gz IDOFFDPPKCGNBS-JTQLQIEISA-N 0 3 226.389 3.462 20 0 BGADHN CCCC[C@@H](C)N(C)Cc1scnc1C ZINC000275572282 351600826 /nfs/dbraw/zinc/60/08/26/351600826.db2.gz IDOFFDPPKCGNBS-SNVBAGLBSA-N 0 3 226.389 3.462 20 0 BGADHN c1cc(CN[C@H]2CCC[C@@H]2c2ccccc2)on1 ZINC000275577971 386222369 /nfs/dbraw/zinc/22/23/69/386222369.db2.gz HNDARYGTUGYRMZ-CABCVRRESA-N 0 3 242.322 3.101 20 0 BGADHN c1cc(CN[C@H]2CCC[C@H]2c2ccccc2)on1 ZINC000275577977 386223032 /nfs/dbraw/zinc/22/30/32/386223032.db2.gz HNDARYGTUGYRMZ-GJZGRUSLSA-N 0 3 242.322 3.101 20 0 BGADHN c1cc(CN[C@@H]2CCC[C@@H]2c2ccccc2)on1 ZINC000275577982 386223256 /nfs/dbraw/zinc/22/32/56/386223256.db2.gz HNDARYGTUGYRMZ-HUUCEWRRSA-N 0 3 242.322 3.101 20 0 BGADHN c1cc(CN[C@@H]2CCC[C@H]2c2ccccc2)on1 ZINC000275577988 386222407 /nfs/dbraw/zinc/22/24/07/386222407.db2.gz HNDARYGTUGYRMZ-LSDHHAIUSA-N 0 3 242.322 3.101 20 0 BGADHN CCCC[C@@H](C)N(C)Cc1ccncc1 ZINC000275602373 351601170 /nfs/dbraw/zinc/60/11/70/351601170.db2.gz KTQQDCUTCUXKRZ-GFCCVEGCSA-N 0 3 206.333 3.092 20 0 BGADHN CCCC[C@H](C)N(C)Cc1ccncc1 ZINC000275602377 351601141 /nfs/dbraw/zinc/60/11/41/351601141.db2.gz KTQQDCUTCUXKRZ-LBPRGKRZSA-N 0 3 206.333 3.092 20 0 BGADHN Fc1cccc2c1CC[C@@H]2NC[C@H]1CCC=CO1 ZINC000275613739 181004834 /nfs/dbraw/zinc/00/48/34/181004834.db2.gz KIPBGQHFNIVFRG-ABAIWWIYSA-N 0 3 247.313 3.095 20 0 BGADHN Fc1cccc2c1CC[C@H]2NC[C@H]1CCC=CO1 ZINC000275613741 181007082 /nfs/dbraw/zinc/00/70/82/181007082.db2.gz KIPBGQHFNIVFRG-IAQYHMDHSA-N 0 3 247.313 3.095 20 0 BGADHN Fc1cccc2c1CC[C@@H]2NC[C@@H]1CCC=CO1 ZINC000275613743 181005818 /nfs/dbraw/zinc/00/58/18/181005818.db2.gz KIPBGQHFNIVFRG-NHYWBVRUSA-N 0 3 247.313 3.095 20 0 BGADHN Fc1cccc2c1CC[C@H]2NC[C@@H]1CCC=CO1 ZINC000275613745 181004831 /nfs/dbraw/zinc/00/48/31/181004831.db2.gz KIPBGQHFNIVFRG-XHDPSFHLSA-N 0 3 247.313 3.095 20 0 BGADHN CCc1ccccc1CN1CC=C(COC)CC1 ZINC000275630489 386224685 /nfs/dbraw/zinc/22/46/85/386224685.db2.gz QGSZEJMVULECFT-UHFFFAOYSA-N 0 3 245.366 3.028 20 0 BGADHN CCCC[C@@H](C)N(C)Cc1cccnc1 ZINC000275697417 351603848 /nfs/dbraw/zinc/60/38/48/351603848.db2.gz QFPSWXNOZQMOIQ-GFCCVEGCSA-N 0 3 206.333 3.092 20 0 BGADHN CCCC[C@H](C)N(C)Cc1cccnc1 ZINC000275697419 351603718 /nfs/dbraw/zinc/60/37/18/351603718.db2.gz QFPSWXNOZQMOIQ-LBPRGKRZSA-N 0 3 206.333 3.092 20 0 BGADHN Cc1nccnc1[C@@H](C)NCC(C)(C)C(C)C ZINC000275730460 180280239 /nfs/dbraw/zinc/28/02/39/180280239.db2.gz OWGGPLTWTOSAAR-GFCCVEGCSA-N 0 3 235.375 3.118 20 0 BGADHN Cc1nccnc1[C@H](C)NCC(C)(C)C(C)C ZINC000275730465 180281108 /nfs/dbraw/zinc/28/11/08/180281108.db2.gz OWGGPLTWTOSAAR-LBPRGKRZSA-N 0 3 235.375 3.118 20 0 BGADHN C[C@H](c1ccco1)N(C)CCC1CCOCC1 ZINC000275745566 177048001 /nfs/dbraw/zinc/04/80/01/177048001.db2.gz WETYTOJENWAUAJ-GFCCVEGCSA-N 0 3 237.343 3.089 20 0 BGADHN C[C@@H](c1ccco1)N(C)CCC1CCOCC1 ZINC000275745568 176031732 /nfs/dbraw/zinc/03/17/32/176031732.db2.gz WETYTOJENWAUAJ-LBPRGKRZSA-N 0 3 237.343 3.089 20 0 BGADHN c1oc2ccccc2c1CNC[C@H]1CCC=CO1 ZINC000275794377 388346202 /nfs/dbraw/zinc/34/62/02/388346202.db2.gz JIXYAQLFAAFNFX-CYBMUJFWSA-N 0 3 243.306 3.215 20 0 BGADHN c1oc2ccccc2c1CNC[C@@H]1CCC=CO1 ZINC000275794381 388345654 /nfs/dbraw/zinc/34/56/54/388345654.db2.gz JIXYAQLFAAFNFX-ZDUSSCGKSA-N 0 3 243.306 3.215 20 0 BGADHN Cc1cc([C@H](C)NC[C@H]2CCC=CO2)ccc1F ZINC000275802684 178250634 /nfs/dbraw/zinc/25/06/34/178250634.db2.gz YQUIYMMQNKTNRE-GXTWGEPZSA-N 0 3 249.329 3.477 20 0 BGADHN Cc1cc([C@H](C)NC[C@@H]2CCC=CO2)ccc1F ZINC000275802688 178249023 /nfs/dbraw/zinc/24/90/23/178249023.db2.gz YQUIYMMQNKTNRE-JSGCOSHPSA-N 0 3 249.329 3.477 20 0 BGADHN Cc1cc([C@@H](C)NC[C@@H]2CCC=CO2)ccc1F ZINC000275802693 178227738 /nfs/dbraw/zinc/22/77/38/178227738.db2.gz YQUIYMMQNKTNRE-OCCSQVGLSA-N 0 3 249.329 3.477 20 0 BGADHN Cc1cc([C@@H](C)NC[C@H]2CCC=CO2)ccc1F ZINC000275802697 178227328 /nfs/dbraw/zinc/22/73/28/178227328.db2.gz YQUIYMMQNKTNRE-TZMCWYRMSA-N 0 3 249.329 3.477 20 0 BGADHN CC[C@H](NCc1ccn(C)c1)c1cccc(F)c1 ZINC000275804148 386241945 /nfs/dbraw/zinc/24/19/45/386241945.db2.gz DGAKHNRPLXBVMK-HNNXBMFYSA-N 0 3 246.329 3.405 20 0 BGADHN CC[C@@H](NCc1ccn(C)c1)c1cccc(F)c1 ZINC000275804157 351606506 /nfs/dbraw/zinc/60/65/06/351606506.db2.gz DGAKHNRPLXBVMK-OAHLLOKOSA-N 0 3 246.329 3.405 20 0 BGADHN CC[C@H](C)C[C@@H](C)N[C@H](C)c1nccnc1C ZINC000275831788 171295071 /nfs/dbraw/zinc/29/50/71/171295071.db2.gz HXVUJEFSOBZIAP-DMDPSCGWSA-N 0 3 235.375 3.260 20 0 BGADHN CC[C@H](C)C[C@H](C)N[C@H](C)c1nccnc1C ZINC000275831789 171298297 /nfs/dbraw/zinc/29/82/97/171298297.db2.gz HXVUJEFSOBZIAP-GMXVVIOVSA-N 0 3 235.375 3.260 20 0 BGADHN CCSCCNCc1coc2ccccc12 ZINC000275849962 388345889 /nfs/dbraw/zinc/34/58/89/388345889.db2.gz WFLXAFRBKQFASL-UHFFFAOYSA-N 0 3 235.352 3.276 20 0 BGADHN Cc1nccnc1[C@H](C)N[C@H]1CC[C@H](C)CC1 ZINC000275853030 180283207 /nfs/dbraw/zinc/28/32/07/180283207.db2.gz LKFHULDUYRWBLC-DRZSPHRISA-N 0 3 233.359 3.014 20 0 BGADHN Cc1nccnc1[C@@H](C)N[C@H]1CC[C@H](C)CC1 ZINC000275853033 180281962 /nfs/dbraw/zinc/28/19/62/180281962.db2.gz LKFHULDUYRWBLC-RAIGVLPGSA-N 0 3 233.359 3.014 20 0 BGADHN CC[C@@H]1CCC[C@H]1N[C@H](C)c1nccnc1C ZINC000275869351 171003188 /nfs/dbraw/zinc/00/31/88/171003188.db2.gz NZDCPSRXEURJLM-JHJVBQTASA-N 0 3 233.359 3.014 20 0 BGADHN CC[C@@H]1CCC[C@@H]1N[C@H](C)c1nccnc1C ZINC000275869352 364759712 /nfs/dbraw/zinc/75/97/12/364759712.db2.gz NZDCPSRXEURJLM-UPJWGTAASA-N 0 3 233.359 3.014 20 0 BGADHN CC[C@@H]1CCC[C@@H]1N[C@@H](C)c1nccnc1C ZINC000275869355 364759903 /nfs/dbraw/zinc/75/99/03/364759903.db2.gz NZDCPSRXEURJLM-XQQFMLRXSA-N 0 3 233.359 3.014 20 0 BGADHN CC[C@@H]1CCC[C@H]1N[C@@H](C)c1nccnc1C ZINC000275869358 171003841 /nfs/dbraw/zinc/00/38/41/171003841.db2.gz NZDCPSRXEURJLM-YNEHKIRRSA-N 0 3 233.359 3.014 20 0 BGADHN CC[C@H](N[C@@H]1C[C@H]2CC[C@@H]1O2)c1cccc(F)c1 ZINC000275875268 487520465 /nfs/dbraw/zinc/52/04/65/487520465.db2.gz OQMMQMWHOACMKR-BARDWOONSA-N 0 3 249.329 3.186 20 0 BGADHN CC[C@@H](N[C@@H]1C[C@H]2CC[C@@H]1O2)c1cccc(F)c1 ZINC000275875271 487520444 /nfs/dbraw/zinc/52/04/44/487520444.db2.gz OQMMQMWHOACMKR-TUVASFSCSA-N 0 3 249.329 3.186 20 0 BGADHN CCC1CCN(Cc2cncc(C)c2)CC1 ZINC000275952404 386255805 /nfs/dbraw/zinc/25/58/05/386255805.db2.gz FJYHWSHVFGMFJV-UHFFFAOYSA-N 0 3 218.344 3.012 20 0 BGADHN CCC[C@@H](C)N(C)Cc1cncc(C)c1 ZINC000275972027 169365690 /nfs/dbraw/zinc/36/56/90/169365690.db2.gz JDNLDGZKIQIQLG-GFCCVEGCSA-N 0 3 206.333 3.010 20 0 BGADHN CCC[C@H](C)N(C)Cc1cncc(C)c1 ZINC000275972030 386257817 /nfs/dbraw/zinc/25/78/17/386257817.db2.gz JDNLDGZKIQIQLG-LBPRGKRZSA-N 0 3 206.333 3.010 20 0 BGADHN CCCCN(Cc1cncc(C)c1)C1CC1 ZINC000275991802 386257704 /nfs/dbraw/zinc/25/77/04/386257704.db2.gz MSKOINFIXJKWJB-UHFFFAOYSA-N 0 3 218.344 3.155 20 0 BGADHN Cc1cncc(CN2CC[C@H](C)C[C@@H]2C)c1 ZINC000276056786 386268365 /nfs/dbraw/zinc/26/83/65/386268365.db2.gz PKUBISMVVGUZJD-AAEUAGOBSA-N 0 3 218.344 3.010 20 0 BGADHN Cc1cncc(CN2CC[C@@H](C)C[C@H]2C)c1 ZINC000276056790 386268377 /nfs/dbraw/zinc/26/83/77/386268377.db2.gz PKUBISMVVGUZJD-DGCLKSJQSA-N 0 3 218.344 3.010 20 0 BGADHN Cc1cncc(CN2CC[C@H](C)C[C@H]2C)c1 ZINC000276056795 386268679 /nfs/dbraw/zinc/26/86/79/386268679.db2.gz PKUBISMVVGUZJD-WCQYABFASA-N 0 3 218.344 3.010 20 0 BGADHN Cc1cncc(CN2CC[C@@H](C)C[C@@H]2C)c1 ZINC000276056798 386268692 /nfs/dbraw/zinc/26/86/92/386268692.db2.gz PKUBISMVVGUZJD-YPMHNXCESA-N 0 3 218.344 3.010 20 0 BGADHN Cc1cncc(CNC(C)(C)c2ccccc2)c1 ZINC000276093618 386272997 /nfs/dbraw/zinc/27/29/97/386272997.db2.gz UQDTYAUDFYZCPC-UHFFFAOYSA-N 0 3 240.350 3.415 20 0 BGADHN CO[C@H](C)CN[C@H](C)c1csc(Cl)c1 ZINC000276109662 388347352 /nfs/dbraw/zinc/34/73/52/388347352.db2.gz ALSYZVOFYUVXLR-HTQZYQBOSA-N 0 3 233.764 3.087 20 0 BGADHN CO[C@@H](C)CN[C@H](C)c1csc(Cl)c1 ZINC000276109668 388346854 /nfs/dbraw/zinc/34/68/54/388346854.db2.gz ALSYZVOFYUVXLR-JGVFFNPUSA-N 0 3 233.764 3.087 20 0 BGADHN CO[C@H](C)CN[C@@H](C)c1csc(Cl)c1 ZINC000276109669 388346751 /nfs/dbraw/zinc/34/67/51/388346751.db2.gz ALSYZVOFYUVXLR-SFYZADRCSA-N 0 3 233.764 3.087 20 0 BGADHN CO[C@@H](C)CN[C@@H](C)c1csc(Cl)c1 ZINC000276109672 388346916 /nfs/dbraw/zinc/34/69/16/388346916.db2.gz ALSYZVOFYUVXLR-YUMQZZPRSA-N 0 3 233.764 3.087 20 0 BGADHN CC1CCC(N(C)Cc2ccc(F)cn2)CC1 ZINC000276128182 168159919 /nfs/dbraw/zinc/15/99/19/168159919.db2.gz AOZHLPXOGIRMAT-UHFFFAOYSA-N 0 3 236.334 3.231 20 0 BGADHN CO[C@@H](C)[C@H](C)NCc1ccc(Cl)cc1C ZINC000276131714 388346765 /nfs/dbraw/zinc/34/67/65/388346765.db2.gz ZAWWUGIDSXPAGV-QWRGUYRKSA-N 0 3 241.762 3.161 20 0 BGADHN CO[C@H](C)[C@H](C)NCc1ccc(Cl)cc1C ZINC000276131716 174849424 /nfs/dbraw/zinc/84/94/24/174849424.db2.gz ZAWWUGIDSXPAGV-WDEREUQCSA-N 0 3 241.762 3.161 20 0 BGADHN CC[C@@H](C)CN(CC)Cc1ccc(F)cn1 ZINC000276143585 386279337 /nfs/dbraw/zinc/27/93/37/386279337.db2.gz AWVVATAKRFBVLR-LLVKDONJSA-N 0 3 224.323 3.089 20 0 BGADHN CC[C@H](C)CN(CC)Cc1ccc(F)cn1 ZINC000276143586 171277943 /nfs/dbraw/zinc/27/79/43/171277943.db2.gz AWVVATAKRFBVLR-NSHDSACASA-N 0 3 224.323 3.089 20 0 BGADHN CCSCCNCc1ccc(C(F)F)cc1 ZINC000276198385 398043864 /nfs/dbraw/zinc/04/38/64/398043864.db2.gz JYOZUCUFQUSYLZ-UHFFFAOYSA-N 0 3 245.338 3.467 20 0 BGADHN C[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1ccc(F)cn1 ZINC000276198749 386284843 /nfs/dbraw/zinc/28/48/43/386284843.db2.gz DXRAGPGKYIBACS-JMSVASOKSA-N 0 3 248.345 3.374 20 0 BGADHN C[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1ccc(F)cn1 ZINC000276198752 386283449 /nfs/dbraw/zinc/28/34/49/386283449.db2.gz DXRAGPGKYIBACS-LALPHHSUSA-N 0 3 248.345 3.374 20 0 BGADHN C[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1ccc(F)cn1 ZINC000276198755 386284712 /nfs/dbraw/zinc/28/47/12/386284712.db2.gz DXRAGPGKYIBACS-TYNCELHUSA-N 0 3 248.345 3.374 20 0 BGADHN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1ccc(F)cn1 ZINC000276198758 386284987 /nfs/dbraw/zinc/28/49/87/386284987.db2.gz DXRAGPGKYIBACS-XUJVJEKNSA-N 0 3 248.345 3.374 20 0 BGADHN CC(C)C[C@H]1CCN(Cc2ccc(F)cn2)C1 ZINC000276213945 188379203 /nfs/dbraw/zinc/37/92/03/188379203.db2.gz LBQMUMWSGZUJTB-GFCCVEGCSA-N 0 3 236.334 3.089 20 0 BGADHN CC(C)C[C@@H]1CCN(Cc2ccc(F)cn2)C1 ZINC000276213954 187339020 /nfs/dbraw/zinc/33/90/20/187339020.db2.gz LBQMUMWSGZUJTB-LBPRGKRZSA-N 0 3 236.334 3.089 20 0 BGADHN C[C@@H]1CN(Cc2ccc(F)cn2)[C@@H]2CCCC[C@H]21 ZINC000276220392 176305155 /nfs/dbraw/zinc/30/51/55/176305155.db2.gz LYRVPZVQUUKLQU-BYCMXARLSA-N 0 3 248.345 3.231 20 0 BGADHN C[C@@H]1CN(Cc2ccc(F)cn2)[C@H]2CCCC[C@H]12 ZINC000276220395 176304130 /nfs/dbraw/zinc/30/41/30/176304130.db2.gz LYRVPZVQUUKLQU-DFBGVHRSSA-N 0 3 248.345 3.231 20 0 BGADHN C[C@@H]1CN(Cc2ccc(F)cn2)[C@@H]2CCCC[C@@H]21 ZINC000276220399 176304990 /nfs/dbraw/zinc/30/49/90/176304990.db2.gz LYRVPZVQUUKLQU-KCPJHIHWSA-N 0 3 248.345 3.231 20 0 BGADHN C[C@@H]1CN(Cc2ccc(F)cn2)[C@H]2CCCC[C@@H]12 ZINC000276220402 176304150 /nfs/dbraw/zinc/30/41/50/176304150.db2.gz LYRVPZVQUUKLQU-UGFHNGPFSA-N 0 3 248.345 3.231 20 0 BGADHN C[C@@H]1CCN(Cc2ccc(F)cn2)C[C@@H](C)C1 ZINC000276244145 176174160 /nfs/dbraw/zinc/17/41/60/176174160.db2.gz OSWQEUMJBVOFSH-NEPJUHHUSA-N 0 3 236.334 3.089 20 0 BGADHN C[C@H]1CCN(Cc2ccc(F)cn2)C[C@H](C)C1 ZINC000276244148 177163519 /nfs/dbraw/zinc/16/35/19/177163519.db2.gz OSWQEUMJBVOFSH-NWDGAFQWSA-N 0 3 236.334 3.089 20 0 BGADHN C[C@H]1CCN(Cc2ccc(F)cn2)C[C@@H](C)C1 ZINC000276244151 177310296 /nfs/dbraw/zinc/31/02/96/177310296.db2.gz OSWQEUMJBVOFSH-RYUDHWBXSA-N 0 3 236.334 3.089 20 0 BGADHN C[C@@H]1C[C@H](C)CCN(Cc2ccc(F)cn2)C1 ZINC000276244154 176175172 /nfs/dbraw/zinc/17/51/72/176175172.db2.gz OSWQEUMJBVOFSH-VXGBXAGGSA-N 0 3 236.334 3.089 20 0 BGADHN COCC[C@@H](NCCCC(C)C)c1ccco1 ZINC000276248655 174394051 /nfs/dbraw/zinc/39/40/51/174394051.db2.gz OVKMNMUCKMPNSL-CYBMUJFWSA-N 0 3 239.359 3.383 20 0 BGADHN COCC[C@H](NCCCC(C)C)c1ccco1 ZINC000276248658 386289265 /nfs/dbraw/zinc/28/92/65/386289265.db2.gz OVKMNMUCKMPNSL-ZDUSSCGKSA-N 0 3 239.359 3.383 20 0 BGADHN CCC[C@@H]1CCCN(Cc2ccc(F)cn2)C1 ZINC000276259124 386293709 /nfs/dbraw/zinc/29/37/09/386293709.db2.gz QSHQHZQTCKSNAE-GFCCVEGCSA-N 0 3 236.334 3.233 20 0 BGADHN CCC[C@H]1CCCN(Cc2ccc(F)cn2)C1 ZINC000276259126 386293420 /nfs/dbraw/zinc/29/34/20/386293420.db2.gz QSHQHZQTCKSNAE-LBPRGKRZSA-N 0 3 236.334 3.233 20 0 BGADHN CCC[C@H]1CCCCN1Cc1ccc(F)cn1 ZINC000276288662 386295637 /nfs/dbraw/zinc/29/56/37/386295637.db2.gz VJBYTSQGJOCYRL-AWEZNQCLSA-N 0 3 236.334 3.375 20 0 BGADHN CCC[C@@H]1CCCCN1Cc1ccc(F)cn1 ZINC000276288663 386297333 /nfs/dbraw/zinc/29/73/33/386297333.db2.gz VJBYTSQGJOCYRL-CQSZACIVSA-N 0 3 236.334 3.375 20 0 BGADHN CCC1(CC)CCN(Cc2ccc(F)cn2)C1 ZINC000276316507 386302864 /nfs/dbraw/zinc/30/28/64/386302864.db2.gz ZIONRYDQAIEUDR-UHFFFAOYSA-N 0 3 236.334 3.233 20 0 BGADHN CCc1cccc(CN2CC=C(COC)CC2)c1 ZINC000276316668 386302799 /nfs/dbraw/zinc/30/27/99/386302799.db2.gz ZMTAWVVKWJDYNC-UHFFFAOYSA-N 0 3 245.366 3.028 20 0 BGADHN CC(C)N(CC[C@H]1CCCO1)Cc1ccco1 ZINC000276322708 188380423 /nfs/dbraw/zinc/38/04/23/188380423.db2.gz FMOXRGWEQJRZRP-CYBMUJFWSA-N 0 3 237.343 3.059 20 0 BGADHN CC(C)N(CC[C@@H]1CCCO1)Cc1ccco1 ZINC000276322715 386302742 /nfs/dbraw/zinc/30/27/42/386302742.db2.gz FMOXRGWEQJRZRP-ZDUSSCGKSA-N 0 3 237.343 3.059 20 0 BGADHN CC(C)[C@@H]1CCCCN1Cc1ccc(F)cn1 ZINC000276328086 167467685 /nfs/dbraw/zinc/46/76/85/167467685.db2.gz GHEQVAUROYKSJQ-AWEZNQCLSA-N 0 3 236.334 3.231 20 0 BGADHN CC(C)[C@H]1CCCCN1Cc1ccc(F)cn1 ZINC000276328092 386302553 /nfs/dbraw/zinc/30/25/53/386302553.db2.gz GHEQVAUROYKSJQ-CQSZACIVSA-N 0 3 236.334 3.231 20 0 BGADHN Fc1ccc(CN2CCC[C@H]3CCCC[C@@H]32)nc1 ZINC000276332427 386305792 /nfs/dbraw/zinc/30/57/92/386305792.db2.gz HEUXIEBYKHABCG-DOMZBBRYSA-N 0 3 248.345 3.375 20 0 BGADHN Fc1ccc(CN2CCC[C@H]3CCCC[C@H]32)nc1 ZINC000276332429 386304176 /nfs/dbraw/zinc/30/41/76/386304176.db2.gz HEUXIEBYKHABCG-IUODEOHRSA-N 0 3 248.345 3.375 20 0 BGADHN Fc1ccc(CN2CCC[C@@H]3CCCC[C@H]32)nc1 ZINC000276332431 386305742 /nfs/dbraw/zinc/30/57/42/386305742.db2.gz HEUXIEBYKHABCG-SWLSCSKDSA-N 0 3 248.345 3.375 20 0 BGADHN Fc1ccc(CN2CCC[C@@H]3CCCC[C@@H]32)nc1 ZINC000276332434 386305382 /nfs/dbraw/zinc/30/53/82/386305382.db2.gz HEUXIEBYKHABCG-WFASDCNBSA-N 0 3 248.345 3.375 20 0 BGADHN CC(C)CCN(Cc1ccc(F)cn1)C1CC1 ZINC000276334563 538932585 /nfs/dbraw/zinc/93/25/85/538932585.db2.gz HHCAXJNEPQYQAS-UHFFFAOYSA-N 0 3 236.334 3.231 20 0 BGADHN CO[C@H](C)CCN[C@@H](C)c1csc(Cl)c1 ZINC000276373002 384447850 /nfs/dbraw/zinc/44/78/50/384447850.db2.gz OQQQZZNBNBQDKS-BDAKNGLRSA-N 0 3 247.791 3.477 20 0 BGADHN CO[C@@H](C)CCN[C@H](C)c1csc(Cl)c1 ZINC000276373004 384447346 /nfs/dbraw/zinc/44/73/46/384447346.db2.gz OQQQZZNBNBQDKS-DTWKUNHWSA-N 0 3 247.791 3.477 20 0 BGADHN CO[C@@H](C)CCN[C@@H](C)c1csc(Cl)c1 ZINC000276373007 384445962 /nfs/dbraw/zinc/44/59/62/384445962.db2.gz OQQQZZNBNBQDKS-IUCAKERBSA-N 0 3 247.791 3.477 20 0 BGADHN CO[C@H](C)CCN[C@H](C)c1csc(Cl)c1 ZINC000276373010 384446603 /nfs/dbraw/zinc/44/66/03/384446603.db2.gz OQQQZZNBNBQDKS-RKDXNWHRSA-N 0 3 247.791 3.477 20 0 BGADHN CC1(C)CCCN(Cc2ccc(F)cn2)CC1 ZINC000276379264 386313328 /nfs/dbraw/zinc/31/33/28/386313328.db2.gz PZXXDMDYXQELIG-UHFFFAOYSA-N 0 3 236.334 3.233 20 0 BGADHN Fc1ccc(CN2CCC[C@H]2C2CCCC2)nc1 ZINC000276381658 386312758 /nfs/dbraw/zinc/31/27/58/386312758.db2.gz QMAATHGLHWJQNR-HNNXBMFYSA-N 0 3 248.345 3.375 20 0 BGADHN Fc1ccc(CN2CCC[C@@H]2C2CCCC2)nc1 ZINC000276381664 386314061 /nfs/dbraw/zinc/31/40/61/386314061.db2.gz QMAATHGLHWJQNR-OAHLLOKOSA-N 0 3 248.345 3.375 20 0 BGADHN C[C@@H]1CCC[C@@H](N(C)Cc2ccc(F)cn2)C1 ZINC000276386403 176120826 /nfs/dbraw/zinc/12/08/26/176120826.db2.gz RGDGQKCPHCGHPZ-BXUZGUMPSA-N 0 3 236.334 3.231 20 0 BGADHN C[C@H]1CCC[C@H](N(C)Cc2ccc(F)cn2)C1 ZINC000276386408 177134272 /nfs/dbraw/zinc/13/42/72/177134272.db2.gz RGDGQKCPHCGHPZ-FZMZJTMJSA-N 0 3 236.334 3.231 20 0 BGADHN C[C@@H]1CCC[C@H](N(C)Cc2ccc(F)cn2)C1 ZINC000276386412 176140971 /nfs/dbraw/zinc/14/09/71/176140971.db2.gz RGDGQKCPHCGHPZ-RISCZKNCSA-N 0 3 236.334 3.231 20 0 BGADHN C[C@H]1CCC[C@@H](N(C)Cc2ccc(F)cn2)C1 ZINC000276386416 177120493 /nfs/dbraw/zinc/12/04/93/177120493.db2.gz RGDGQKCPHCGHPZ-SMDDNHRTSA-N 0 3 236.334 3.231 20 0 BGADHN CN(Cc1ccc(F)cn1)C1CCCCCC1 ZINC000276393731 386313130 /nfs/dbraw/zinc/31/31/30/386313130.db2.gz SGDQDVVEQTUXTN-UHFFFAOYSA-N 0 3 236.334 3.375 20 0 BGADHN C[C@@H](N[C@H]1CCCOC1)c1csc(Cl)c1 ZINC000276422554 384456699 /nfs/dbraw/zinc/45/66/99/384456699.db2.gz VVWJIIULCNAVQH-SCZZXKLOSA-N 0 3 245.775 3.231 20 0 BGADHN C[C@H](N[C@H]1CCCOC1)c1csc(Cl)c1 ZINC000276422559 384454760 /nfs/dbraw/zinc/45/47/60/384454760.db2.gz VVWJIIULCNAVQH-WPRPVWTQSA-N 0 3 245.775 3.231 20 0 BGADHN Cc1ccc([C@@H]2CCCN2C[C@H]2CC[C@@H](C)O2)o1 ZINC000276428253 386322797 /nfs/dbraw/zinc/32/27/97/386322797.db2.gz GVBFVBMEUCDCSR-BNOWGMLFSA-N 0 3 249.354 3.292 20 0 BGADHN Cc1ccc([C@@H]2CCCN2C[C@@H]2CC[C@H](C)O2)o1 ZINC000276428256 386321639 /nfs/dbraw/zinc/32/16/39/386321639.db2.gz GVBFVBMEUCDCSR-UBHSHLNASA-N 0 3 249.354 3.292 20 0 BGADHN Cc1ccc([C@@H]2CCCN2C[C@@H]2CC[C@@H](C)O2)o1 ZINC000276428259 386321563 /nfs/dbraw/zinc/32/15/63/386321563.db2.gz GVBFVBMEUCDCSR-XBFCOCLRSA-N 0 3 249.354 3.292 20 0 BGADHN Cc1ccc([C@@H]2CCCN2C[C@H]2CC[C@H](C)O2)o1 ZINC000276428261 386320995 /nfs/dbraw/zinc/32/09/95/386320995.db2.gz GVBFVBMEUCDCSR-YUTCNCBUSA-N 0 3 249.354 3.292 20 0 BGADHN CC(C)(C)[C@H]1CCCN1Cc1ccc(F)cn1 ZINC000276433815 386322739 /nfs/dbraw/zinc/32/27/39/386322739.db2.gz ZAIHZJYSHJDKAE-CYBMUJFWSA-N 0 3 236.334 3.231 20 0 BGADHN CC(C)(C)[C@@H]1CCCN1Cc1ccc(F)cn1 ZINC000276433822 386322304 /nfs/dbraw/zinc/32/23/04/386322304.db2.gz ZAIHZJYSHJDKAE-ZDUSSCGKSA-N 0 3 236.334 3.231 20 0 BGADHN CO[C@@H](C)[C@H](C)N[C@@H](C)c1csc(Cl)c1 ZINC000276454087 388349897 /nfs/dbraw/zinc/34/98/97/388349897.db2.gz BDHNMHNOEAVRRP-CIUDSAMLSA-N 0 3 247.791 3.476 20 0 BGADHN CO[C@H](C)[C@H](C)N[C@H](C)c1csc(Cl)c1 ZINC000276454103 388349999 /nfs/dbraw/zinc/34/99/99/388349999.db2.gz BDHNMHNOEAVRRP-DJLDLDEBSA-N 0 3 247.791 3.476 20 0 BGADHN CO[C@H](C)[C@H](C)N[C@@H](C)c1csc(Cl)c1 ZINC000276454115 388349254 /nfs/dbraw/zinc/34/92/54/388349254.db2.gz BDHNMHNOEAVRRP-XHNCKOQMSA-N 0 3 247.791 3.476 20 0 BGADHN CO[C@@H](C)[C@H](C)N[C@H](C)c1csc(Cl)c1 ZINC000276454131 388349642 /nfs/dbraw/zinc/34/96/42/388349642.db2.gz BDHNMHNOEAVRRP-YIZRAAEISA-N 0 3 247.791 3.476 20 0 BGADHN CC(C)N(Cc1ccco1)C[C@H]1CC[C@H](C)O1 ZINC000276498821 386335937 /nfs/dbraw/zinc/33/59/37/386335937.db2.gz SFTCGNPPCVUBQG-GXTWGEPZSA-N 0 3 237.343 3.058 20 0 BGADHN CC(C)N(Cc1ccco1)C[C@@H]1CC[C@H](C)O1 ZINC000276498825 386336101 /nfs/dbraw/zinc/33/61/01/386336101.db2.gz SFTCGNPPCVUBQG-JSGCOSHPSA-N 0 3 237.343 3.058 20 0 BGADHN CC(C)N(Cc1ccco1)C[C@@H]1CC[C@@H](C)O1 ZINC000276498827 386336169 /nfs/dbraw/zinc/33/61/69/386336169.db2.gz SFTCGNPPCVUBQG-OCCSQVGLSA-N 0 3 237.343 3.058 20 0 BGADHN CC(C)N(Cc1ccco1)C[C@H]1CC[C@@H](C)O1 ZINC000276498830 386336049 /nfs/dbraw/zinc/33/60/49/386336049.db2.gz SFTCGNPPCVUBQG-TZMCWYRMSA-N 0 3 237.343 3.058 20 0 BGADHN C[C@@H](NCCC(C)(C)O)c1csc(Cl)c1 ZINC000276549660 388349714 /nfs/dbraw/zinc/34/97/14/388349714.db2.gz QCPWBVRNRHGMFE-MRVPVSSYSA-N 0 3 247.791 3.213 20 0 BGADHN C[C@H](NCCC(C)(C)O)c1csc(Cl)c1 ZINC000276549663 388349719 /nfs/dbraw/zinc/34/97/19/388349719.db2.gz QCPWBVRNRHGMFE-QMMMGPOBSA-N 0 3 247.791 3.213 20 0 BGADHN CC[C@@H](C)CC(=O)Nc1ccc(CN(C)C)cc1 ZINC000276574528 386345843 /nfs/dbraw/zinc/34/58/43/386345843.db2.gz NPHNQFBNUNKJRC-GFCCVEGCSA-N 0 3 248.370 3.123 20 0 BGADHN CC[C@H](C)CC(=O)Nc1ccc(CN(C)C)cc1 ZINC000276574531 171262976 /nfs/dbraw/zinc/26/29/76/171262976.db2.gz NPHNQFBNUNKJRC-LBPRGKRZSA-N 0 3 248.370 3.123 20 0 BGADHN CC(C)=CCCNCc1nc2ccccc2n1C ZINC000276582527 188093885 /nfs/dbraw/zinc/09/38/85/188093885.db2.gz BUGKCPGMCTXLFX-UHFFFAOYSA-N 0 3 243.354 3.019 20 0 BGADHN CC(C)=CCCNCc1cnn(C(C)(C)C)c1 ZINC000276590118 388349785 /nfs/dbraw/zinc/34/97/85/388349785.db2.gz DCQJQQIPDPJWQP-UHFFFAOYSA-N 0 3 235.375 3.084 20 0 BGADHN C/C=C(\CC)C(=O)Nc1ccc(CN(C)C)cc1 ZINC000276594056 187338903 /nfs/dbraw/zinc/33/89/03/187338903.db2.gz QCMUSZFUWCENMT-WLRTZDKTSA-N 0 3 246.354 3.043 20 0 BGADHN CC(C)=CCNCc1c(C)nn(C(C)(C)C)c1C ZINC000276606352 386351364 /nfs/dbraw/zinc/35/13/64/386351364.db2.gz HNNRYHGFTMEJRU-UHFFFAOYSA-N 0 3 249.402 3.311 20 0 BGADHN COc1ccsc1CNCCC=C(C)C ZINC000276612300 175378162 /nfs/dbraw/zinc/37/81/62/175378162.db2.gz IWHVOKDHOZIRKW-UHFFFAOYSA-N 0 3 225.357 3.203 20 0 BGADHN CC(C)=CCCNCc1cn(C)nc1C(C)(C)C ZINC000276617366 188380349 /nfs/dbraw/zinc/38/03/49/188380349.db2.gz KCHVUAFXESYILI-UHFFFAOYSA-N 0 3 249.402 3.164 20 0 BGADHN CC(C)=CCNCc1cnc2ccc(Cl)cn12 ZINC000276617856 188380179 /nfs/dbraw/zinc/38/01/79/188380179.db2.gz KINVNZBQDWOQKA-UHFFFAOYSA-N 0 3 249.745 3.044 20 0 BGADHN CC[C@@H](C)CC(=O)Nc1cccc(CN(C)C)c1 ZINC000276627267 386357926 /nfs/dbraw/zinc/35/79/26/386357926.db2.gz VBUOCKSALRUVDA-GFCCVEGCSA-N 0 3 248.370 3.123 20 0 BGADHN CC[C@H](C)CC(=O)Nc1cccc(CN(C)C)c1 ZINC000276627269 171262420 /nfs/dbraw/zinc/26/24/20/171262420.db2.gz VBUOCKSALRUVDA-LBPRGKRZSA-N 0 3 248.370 3.123 20 0 BGADHN CCC(O)(CC)CCN[C@H](C)c1ccc(C)o1 ZINC000276629494 386357583 /nfs/dbraw/zinc/35/75/83/386357583.db2.gz JFEDUUOXLHAZIG-GFCCVEGCSA-N 0 3 239.359 3.180 20 0 BGADHN CCC(O)(CC)CCN[C@@H](C)c1ccc(C)o1 ZINC000276629499 188380420 /nfs/dbraw/zinc/38/04/20/188380420.db2.gz JFEDUUOXLHAZIG-LBPRGKRZSA-N 0 3 239.359 3.180 20 0 BGADHN CCc1ncc(CNCCC=C(C)C)s1 ZINC000276632931 172019155 /nfs/dbraw/zinc/01/91/55/172019155.db2.gz ONQRRSUYFWAPGB-UHFFFAOYSA-N 0 3 224.373 3.151 20 0 BGADHN COc1cccc(CNCCC=C(C)C)c1OC ZINC000276637999 175264826 /nfs/dbraw/zinc/26/48/26/175264826.db2.gz QASXCEQAIRITIP-UHFFFAOYSA-N 0 3 249.354 3.150 20 0 BGADHN COc1ccccc1CNCCC=C(C)C ZINC000276641374 388350469 /nfs/dbraw/zinc/35/04/69/388350469.db2.gz QQBIEXZQPMESAU-UHFFFAOYSA-N 0 3 219.328 3.141 20 0 BGADHN CC(C)=CCCNCc1cccnc1Cl ZINC000276649713 384497173 /nfs/dbraw/zinc/49/71/73/384497173.db2.gz TVGMBNJNXYKRID-UHFFFAOYSA-N 0 3 224.735 3.181 20 0 BGADHN CCC(O)(CC)CCN[C@H](C)c1ccsc1 ZINC000276669466 388351455 /nfs/dbraw/zinc/35/14/55/388351455.db2.gz OUKYEEIEYHBDPQ-LLVKDONJSA-N 0 3 241.400 3.340 20 0 BGADHN CCC(O)(CC)CCN[C@@H](C)c1ccsc1 ZINC000276669469 388351395 /nfs/dbraw/zinc/35/13/95/388351395.db2.gz OUKYEEIEYHBDPQ-NSHDSACASA-N 0 3 241.400 3.340 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H](C(C)C)C(C)(C)O)o1 ZINC000276723742 386367172 /nfs/dbraw/zinc/36/71/72/386367172.db2.gz DMYKKXIXGPGZPG-AAEUAGOBSA-N 0 3 239.359 3.034 20 0 BGADHN Cc1ccc([C@@H](C)N[C@@H](C(C)C)C(C)(C)O)o1 ZINC000276723745 386368486 /nfs/dbraw/zinc/36/84/86/386368486.db2.gz DMYKKXIXGPGZPG-YPMHNXCESA-N 0 3 239.359 3.034 20 0 BGADHN CC(C)CN(C)Cc1ccc(N(C)C(C)C)nc1 ZINC000276750364 386371817 /nfs/dbraw/zinc/37/18/17/386371817.db2.gz KQUAHLFNSVREKW-UHFFFAOYSA-N 0 3 249.402 3.014 20 0 BGADHN CC(C)=CCCN[C@H](C)c1ccccn1 ZINC000276753398 188266947 /nfs/dbraw/zinc/26/69/47/188266947.db2.gz HXQPOLFPRRTONN-GFCCVEGCSA-N 0 3 204.317 3.089 20 0 BGADHN CC(C)=CCCN[C@@H](C)c1ccccn1 ZINC000276753402 187339860 /nfs/dbraw/zinc/33/98/60/187339860.db2.gz HXQPOLFPRRTONN-LBPRGKRZSA-N 0 3 204.317 3.089 20 0 BGADHN CC(C)=CCCN[C@H](C)c1ccc(F)cn1 ZINC000276758321 388351156 /nfs/dbraw/zinc/35/11/56/388351156.db2.gz ITLKRURSFIXXQQ-LLVKDONJSA-N 0 3 222.307 3.228 20 0 BGADHN CC(C)=CCCN[C@@H](C)c1ccc(F)cn1 ZINC000276758324 388351374 /nfs/dbraw/zinc/35/13/74/388351374.db2.gz ITLKRURSFIXXQQ-NSHDSACASA-N 0 3 222.307 3.228 20 0 BGADHN CCC(=O)CCN(C)[C@H](C)c1ccccc1C ZINC000276804874 168201076 /nfs/dbraw/zinc/20/10/76/168201076.db2.gz DCNROLIMQXKTKF-CYBMUJFWSA-N 0 3 233.355 3.357 20 0 BGADHN CCC(=O)CCN(C)[C@@H](C)c1ccccc1C ZINC000276804876 168200043 /nfs/dbraw/zinc/20/00/43/168200043.db2.gz DCNROLIMQXKTKF-ZDUSSCGKSA-N 0 3 233.355 3.357 20 0 BGADHN CC(C)(C)[C@H]1C[C@H](NCc2ccco2)CS1 ZINC000276814162 384526934 /nfs/dbraw/zinc/52/69/34/384526934.db2.gz ACPIFIARIXESHE-CMPLNLGQSA-N 0 3 239.384 3.289 20 0 BGADHN CC(C)(C)[C@@H]1C[C@H](NCc2ccco2)CS1 ZINC000276814164 188094198 /nfs/dbraw/zinc/09/41/98/188094198.db2.gz ACPIFIARIXESHE-JQWIXIFHSA-N 0 3 239.384 3.289 20 0 BGADHN CC(C)(C)[C@@H]1C[C@@H](NCc2ccco2)CS1 ZINC000276814166 384527122 /nfs/dbraw/zinc/52/71/22/384527122.db2.gz ACPIFIARIXESHE-PWSUYJOCSA-N 0 3 239.384 3.289 20 0 BGADHN CC(C)(C)[C@H]1C[C@@H](NCc2ccco2)CS1 ZINC000276814168 188094092 /nfs/dbraw/zinc/09/40/92/188094092.db2.gz ACPIFIARIXESHE-ZYHUDNBSSA-N 0 3 239.384 3.289 20 0 BGADHN CC(C)[C@@H]1C[C@@H](NCc2ccsc2)CS1 ZINC000276818214 388350731 /nfs/dbraw/zinc/35/07/31/388350731.db2.gz AIIZWSGQWYQCRN-NEPJUHHUSA-N 0 3 241.425 3.368 20 0 BGADHN CC(C)[C@H]1C[C@H](NCc2ccsc2)CS1 ZINC000276818217 167502363 /nfs/dbraw/zinc/50/23/63/167502363.db2.gz AIIZWSGQWYQCRN-NWDGAFQWSA-N 0 3 241.425 3.368 20 0 BGADHN CC(C)[C@@H]1C[C@H](NCc2ccsc2)CS1 ZINC000276818220 388350976 /nfs/dbraw/zinc/35/09/76/388350976.db2.gz AIIZWSGQWYQCRN-RYUDHWBXSA-N 0 3 241.425 3.368 20 0 BGADHN CC(C)[C@H]1C[C@@H](NCc2ccsc2)CS1 ZINC000276818222 388351303 /nfs/dbraw/zinc/35/13/03/388351303.db2.gz AIIZWSGQWYQCRN-VXGBXAGGSA-N 0 3 241.425 3.368 20 0 BGADHN CCC(=O)CCN1CCC[C@H]1c1ccc(F)cc1 ZINC000276832778 168201714 /nfs/dbraw/zinc/20/17/14/168201714.db2.gz GSNQCCWCFJWPMF-HNNXBMFYSA-N 0 3 249.329 3.332 20 0 BGADHN CCC(=O)CCN1CCC[C@@H]1c1ccc(F)cc1 ZINC000276832782 168203541 /nfs/dbraw/zinc/20/35/41/168203541.db2.gz GSNQCCWCFJWPMF-OAHLLOKOSA-N 0 3 249.329 3.332 20 0 BGADHN COC[C@@H](C)NCc1ccc(C2CCC2)cc1 ZINC000276834319 386379912 /nfs/dbraw/zinc/37/99/12/386379912.db2.gz BIUKAFXDWKCKIA-GFCCVEGCSA-N 0 3 233.355 3.079 20 0 BGADHN COC[C@H](C)NCc1ccc(C2CCC2)cc1 ZINC000276834322 386380552 /nfs/dbraw/zinc/38/05/52/386380552.db2.gz BIUKAFXDWKCKIA-LBPRGKRZSA-N 0 3 233.355 3.079 20 0 BGADHN Cc1nccnc1[C@H](C)N[C@@H]1CCC[C@H](C)CC1 ZINC000276858018 180284469 /nfs/dbraw/zinc/28/44/69/180284469.db2.gz BZKFAWDOQDKDLF-FPMFFAJLSA-N 0 3 247.386 3.404 20 0 BGADHN Cc1nccnc1[C@H](C)N[C@@H]1CCC[C@@H](C)CC1 ZINC000276858020 180283740 /nfs/dbraw/zinc/28/37/40/180283740.db2.gz BZKFAWDOQDKDLF-KWCYVHTRSA-N 0 3 247.386 3.404 20 0 BGADHN Cc1nccnc1[C@H](C)N[C@H]1CCC[C@H](C)CC1 ZINC000276858023 180283797 /nfs/dbraw/zinc/28/37/97/180283797.db2.gz BZKFAWDOQDKDLF-UBHSHLNASA-N 0 3 247.386 3.404 20 0 BGADHN Cc1nccnc1[C@H](C)N[C@H]1CCC[C@@H](C)CC1 ZINC000276858025 180283651 /nfs/dbraw/zinc/28/36/51/180283651.db2.gz BZKFAWDOQDKDLF-XBFCOCLRSA-N 0 3 247.386 3.404 20 0 BGADHN CCC[C@@H](NCc1c[nH]nc1C)c1ccsc1 ZINC000276871667 386385873 /nfs/dbraw/zinc/38/58/73/386385873.db2.gz DXTXSKLCUNSQSH-CYBMUJFWSA-N 0 3 249.383 3.411 20 0 BGADHN CCC[C@H](NCc1c[nH]nc1C)c1ccsc1 ZINC000276871672 386386140 /nfs/dbraw/zinc/38/61/40/386386140.db2.gz DXTXSKLCUNSQSH-ZDUSSCGKSA-N 0 3 249.383 3.411 20 0 BGADHN CC(C)=CCCN[C@@H](C)c1csc(C)n1 ZINC000276871968 188447617 /nfs/dbraw/zinc/44/76/17/188447617.db2.gz KHFWUJPUMOOILW-JTQLQIEISA-N 0 3 224.373 3.458 20 0 BGADHN CC(C)=CCCN[C@H](C)c1csc(C)n1 ZINC000276871971 187239044 /nfs/dbraw/zinc/23/90/44/187239044.db2.gz KHFWUJPUMOOILW-SNVBAGLBSA-N 0 3 224.373 3.458 20 0 BGADHN CCC[C@@H](NC[C@H](C)OC)c1ccsc1 ZINC000276875698 388350653 /nfs/dbraw/zinc/35/06/53/388350653.db2.gz FNFXTNLJLGNOTN-CMPLNLGQSA-N 0 3 227.373 3.214 20 0 BGADHN CCC[C@H](NC[C@H](C)OC)c1ccsc1 ZINC000276875701 388350717 /nfs/dbraw/zinc/35/07/17/388350717.db2.gz FNFXTNLJLGNOTN-JQWIXIFHSA-N 0 3 227.373 3.214 20 0 BGADHN CCC[C@H](NC[C@@H](C)OC)c1ccsc1 ZINC000276875702 388351423 /nfs/dbraw/zinc/35/14/23/388351423.db2.gz FNFXTNLJLGNOTN-PWSUYJOCSA-N 0 3 227.373 3.214 20 0 BGADHN CCC[C@@H](NC[C@@H](C)OC)c1ccsc1 ZINC000276875704 388350928 /nfs/dbraw/zinc/35/09/28/388350928.db2.gz FNFXTNLJLGNOTN-ZYHUDNBSSA-N 0 3 227.373 3.214 20 0 BGADHN CCC(=O)CCN1CCC[C@@H]1c1ccsc1 ZINC000276879611 168203525 /nfs/dbraw/zinc/20/35/25/168203525.db2.gz MILHGIVSCGONCD-CYBMUJFWSA-N 0 3 237.368 3.254 20 0 BGADHN CCC(=O)CCN1CCC[C@H]1c1ccsc1 ZINC000276879615 168201847 /nfs/dbraw/zinc/20/18/47/168201847.db2.gz MILHGIVSCGONCD-ZDUSSCGKSA-N 0 3 237.368 3.254 20 0 BGADHN CC(C)=CCCN[C@@H](C)c1cncs1 ZINC000276891657 187339869 /nfs/dbraw/zinc/33/98/69/187339869.db2.gz MGBBJCUFKKYVQE-JTQLQIEISA-N 0 3 210.346 3.150 20 0 BGADHN CC(C)=CCCN[C@H](C)c1cncs1 ZINC000276891660 384564765 /nfs/dbraw/zinc/56/47/65/384564765.db2.gz MGBBJCUFKKYVQE-SNVBAGLBSA-N 0 3 210.346 3.150 20 0 BGADHN CCC(=O)CCN(C)C[C@@H](C)c1ccccc1 ZINC000276897748 168201386 /nfs/dbraw/zinc/20/13/86/168201386.db2.gz OKXJIDGEZYEBSY-CYBMUJFWSA-N 0 3 233.355 3.091 20 0 BGADHN CCC(=O)CCN(C)C[C@H](C)c1ccccc1 ZINC000276897754 168200003 /nfs/dbraw/zinc/20/00/03/168200003.db2.gz OKXJIDGEZYEBSY-ZDUSSCGKSA-N 0 3 233.355 3.091 20 0 BGADHN CC(C)=CCCN[C@H](C)c1cncc(F)c1 ZINC000276901371 188094289 /nfs/dbraw/zinc/09/42/89/188094289.db2.gz NLGWXJYKJMEWNI-LLVKDONJSA-N 0 3 222.307 3.228 20 0 BGADHN CC(C)=CCCN[C@@H](C)c1cncc(F)c1 ZINC000276901375 384569981 /nfs/dbraw/zinc/56/99/81/384569981.db2.gz NLGWXJYKJMEWNI-NSHDSACASA-N 0 3 222.307 3.228 20 0 BGADHN CC(C)=CCCN[C@H](C)c1cnc(C)nc1C ZINC000276903034 386388877 /nfs/dbraw/zinc/38/88/77/386388877.db2.gz NUCUNDQOEUUYRZ-LLVKDONJSA-N 0 3 233.359 3.100 20 0 BGADHN CC(C)=CCCN[C@@H](C)c1cnc(C)nc1C ZINC000276903037 386388924 /nfs/dbraw/zinc/38/89/24/386388924.db2.gz NUCUNDQOEUUYRZ-NSHDSACASA-N 0 3 233.359 3.100 20 0 BGADHN CCC[C@@H](N[C@@H]1CCCOC1)c1ccsc1 ZINC000276905689 384567668 /nfs/dbraw/zinc/56/76/68/384567668.db2.gz JTRUFWBJKSRRIZ-CHWSQXEVSA-N 0 3 239.384 3.358 20 0 BGADHN CCC[C@H](N[C@@H]1CCCOC1)c1ccsc1 ZINC000276905693 388351760 /nfs/dbraw/zinc/35/17/60/388351760.db2.gz JTRUFWBJKSRRIZ-OLZOCXBDSA-N 0 3 239.384 3.358 20 0 BGADHN CCC[C@@H](N[C@H]1CCCOC1)c1ccsc1 ZINC000276905695 388351789 /nfs/dbraw/zinc/35/17/89/388351789.db2.gz JTRUFWBJKSRRIZ-QWHCGFSZSA-N 0 3 239.384 3.358 20 0 BGADHN CCC[C@H](N[C@H]1CCCOC1)c1ccsc1 ZINC000276905698 388351746 /nfs/dbraw/zinc/35/17/46/388351746.db2.gz JTRUFWBJKSRRIZ-STQMWFEESA-N 0 3 239.384 3.358 20 0 BGADHN CO[C@H](C)CN(C)C/C(C)=C/c1ccccc1 ZINC000276913834 386389935 /nfs/dbraw/zinc/38/99/35/386389935.db2.gz JQWUAUCOBBGOGP-JWAFFJSPSA-N 0 3 233.355 3.057 20 0 BGADHN CO[C@@H](C)CN(C)C/C(C)=C/c1ccccc1 ZINC000276913837 386389137 /nfs/dbraw/zinc/38/91/37/386389137.db2.gz JQWUAUCOBBGOGP-UELRPHRMSA-N 0 3 233.355 3.057 20 0 BGADHN CC(C)=CCN[C@H](C)c1ccc2c(c1)COC2 ZINC000276918076 386392447 /nfs/dbraw/zinc/39/24/47/386392447.db2.gz QFIULWFXBZZJEN-GFCCVEGCSA-N 0 3 231.339 3.334 20 0 BGADHN CC(C)=CCN[C@@H](C)c1ccc2c(c1)COC2 ZINC000276918082 188029503 /nfs/dbraw/zinc/02/95/03/188029503.db2.gz QFIULWFXBZZJEN-LBPRGKRZSA-N 0 3 231.339 3.334 20 0 BGADHN c1coc(CNC2CCC3(CC3)CC2)c1 ZINC000276924060 387527315 /nfs/dbraw/zinc/52/73/15/387527315.db2.gz LOPHDYGIOOLOON-UHFFFAOYSA-N 0 3 205.301 3.092 20 0 BGADHN COCC(C)(C)CNCc1cc2ccccc2o1 ZINC000276959440 174072886 /nfs/dbraw/zinc/07/28/86/174072886.db2.gz PUKTZZONTXTJTL-UHFFFAOYSA-N 0 3 247.338 3.195 20 0 BGADHN C[C@@H](NC1CC(F)(F)C1)c1ccccc1 ZINC000277004679 398173083 /nfs/dbraw/zinc/17/30/83/398173083.db2.gz AWJNTKZFSMWMFN-SECBINFHSA-N 0 3 211.255 3.135 20 0 BGADHN C[C@H](NC1CC(F)(F)C1)c1ccccc1 ZINC000277004681 398173256 /nfs/dbraw/zinc/17/32/56/398173256.db2.gz AWJNTKZFSMWMFN-VIFPVBQESA-N 0 3 211.255 3.135 20 0 BGADHN C[C@@H](NC1CC(F)(F)C1)c1ccsc1 ZINC000277006254 487511804 /nfs/dbraw/zinc/51/18/04/487511804.db2.gz BBEMFRQFZUFAKA-SSDOTTSWSA-N 0 3 217.284 3.196 20 0 BGADHN C[C@H](NC1CC(F)(F)C1)c1ccsc1 ZINC000277006255 411231134 /nfs/dbraw/zinc/23/11/34/411231134.db2.gz BBEMFRQFZUFAKA-ZETCQYMHSA-N 0 3 217.284 3.196 20 0 BGADHN FC1(F)CC(N[C@@H]2CCCc3ccccc32)C1 ZINC000277007755 398025588 /nfs/dbraw/zinc/02/55/88/398025588.db2.gz BKNXGDSCUKTMHF-CYBMUJFWSA-N 0 3 237.293 3.451 20 0 BGADHN FC1(F)CC(N[C@H]2CCCc3ccccc32)C1 ZINC000277007761 398025464 /nfs/dbraw/zinc/02/54/64/398025464.db2.gz BKNXGDSCUKTMHF-ZDUSSCGKSA-N 0 3 237.293 3.451 20 0 BGADHN Fc1cccc2c1CC[C@H]2NC1CC(F)(F)C1 ZINC000277020964 181005566 /nfs/dbraw/zinc/00/55/66/181005566.db2.gz DGOSNIKMNCDMQA-GFCCVEGCSA-N 0 3 241.256 3.200 20 0 BGADHN Fc1cccc2c1CC[C@@H]2NC1CC(F)(F)C1 ZINC000277020967 181005510 /nfs/dbraw/zinc/00/55/10/181005510.db2.gz DGOSNIKMNCDMQA-LBPRGKRZSA-N 0 3 241.256 3.200 20 0 BGADHN C[C@@H](NC1CC(F)(F)C1)c1cccs1 ZINC000277022704 411231318 /nfs/dbraw/zinc/23/13/18/411231318.db2.gz DKRVEMQWTOTJEO-SSDOTTSWSA-N 0 3 217.284 3.196 20 0 BGADHN C[C@H](NC1CC(F)(F)C1)c1cccs1 ZINC000277022707 411231253 /nfs/dbraw/zinc/23/12/53/411231253.db2.gz DKRVEMQWTOTJEO-ZETCQYMHSA-N 0 3 217.284 3.196 20 0 BGADHN C[C@@H](NC1CC(F)(F)C1)c1cc(F)cc(F)c1 ZINC000277026427 386400855 /nfs/dbraw/zinc/40/08/55/386400855.db2.gz DUIVETCKHACRHZ-SSDOTTSWSA-N 0 3 247.235 3.413 20 0 BGADHN C[C@H](NC1CC(F)(F)C1)c1cc(F)cc(F)c1 ZINC000277026430 386400634 /nfs/dbraw/zinc/40/06/34/386400634.db2.gz DUIVETCKHACRHZ-ZETCQYMHSA-N 0 3 247.235 3.413 20 0 BGADHN CC(C)=CCNCc1cc2ccccc2[nH]1 ZINC000277044640 388351999 /nfs/dbraw/zinc/35/19/99/388351999.db2.gz PKVSSITUKXKSPG-UHFFFAOYSA-N 0 3 214.312 3.224 20 0 BGADHN CCC[C@@H](NC1CC(F)(F)C1)c1cccnc1 ZINC000277065200 169399994 /nfs/dbraw/zinc/39/99/94/169399994.db2.gz IISNXMMQUBCBNE-GFCCVEGCSA-N 0 3 240.297 3.310 20 0 BGADHN CCC[C@H](NC1CC(F)(F)C1)c1cccnc1 ZINC000277065202 386404784 /nfs/dbraw/zinc/40/47/84/386404784.db2.gz IISNXMMQUBCBNE-LBPRGKRZSA-N 0 3 240.297 3.310 20 0 BGADHN Fc1ccc2c(c1)[C@H](NC1CC(F)(F)C1)CC2 ZINC000277065253 538933557 /nfs/dbraw/zinc/93/35/57/538933557.db2.gz IJOPEWBCQWOPHO-GFCCVEGCSA-N 0 3 241.256 3.200 20 0 BGADHN Fc1ccc2c(c1)[C@@H](NC1CC(F)(F)C1)CC2 ZINC000277065256 538933832 /nfs/dbraw/zinc/93/38/32/538933832.db2.gz IJOPEWBCQWOPHO-LBPRGKRZSA-N 0 3 241.256 3.200 20 0 BGADHN Cc1nc(C)c([C@@H](C)NC2CC(F)(F)C2)s1 ZINC000277072632 388352275 /nfs/dbraw/zinc/35/22/75/388352275.db2.gz IZAQRAFAPGNGKU-SSDOTTSWSA-N 0 3 246.326 3.208 20 0 BGADHN Cc1nc(C)c([C@H](C)NC2CC(F)(F)C2)s1 ZINC000277072635 388352209 /nfs/dbraw/zinc/35/22/09/388352209.db2.gz IZAQRAFAPGNGKU-ZETCQYMHSA-N 0 3 246.326 3.208 20 0 BGADHN COc1ccsc1[C@@H](C)NC1CC(F)(F)C1 ZINC000277076680 175379918 /nfs/dbraw/zinc/37/99/18/175379918.db2.gz JGSXEQTYCQBVSS-SSDOTTSWSA-N 0 3 247.310 3.205 20 0 BGADHN COc1ccsc1[C@H](C)NC1CC(F)(F)C1 ZINC000277076682 175379630 /nfs/dbraw/zinc/37/96/30/175379630.db2.gz JGSXEQTYCQBVSS-ZETCQYMHSA-N 0 3 247.310 3.205 20 0 BGADHN Cc1ccccc1[C@H](C)NC1CC(F)(F)C1 ZINC000277076732 179337256 /nfs/dbraw/zinc/33/72/56/179337256.db2.gz JISDZAVGFDPSKL-JTQLQIEISA-N 0 3 225.282 3.443 20 0 BGADHN Cc1ccccc1[C@@H](C)NC1CC(F)(F)C1 ZINC000277076734 179320273 /nfs/dbraw/zinc/32/02/73/179320273.db2.gz JISDZAVGFDPSKL-SNVBAGLBSA-N 0 3 225.282 3.443 20 0 BGADHN C[C@@H](NC1CC(F)(F)C1)c1ccc(Cl)nc1 ZINC000277078909 384672342 /nfs/dbraw/zinc/67/23/42/384672342.db2.gz JMBYIOYPBJHPKJ-SSDOTTSWSA-N 0 3 246.688 3.183 20 0 BGADHN C[C@H](NC1CC(F)(F)C1)c1ccc(Cl)nc1 ZINC000277078911 384671323 /nfs/dbraw/zinc/67/13/23/384671323.db2.gz JMBYIOYPBJHPKJ-ZETCQYMHSA-N 0 3 246.688 3.183 20 0 BGADHN Cc1ccc([C@H](C)NC2CC(F)(F)C2)cc1 ZINC000277091365 388352883 /nfs/dbraw/zinc/35/28/83/388352883.db2.gz KOHJONRVTORIGD-JTQLQIEISA-N 0 3 225.282 3.443 20 0 BGADHN Cc1ccc([C@@H](C)NC2CC(F)(F)C2)cc1 ZINC000277091366 388352956 /nfs/dbraw/zinc/35/29/56/388352956.db2.gz KOHJONRVTORIGD-SNVBAGLBSA-N 0 3 225.282 3.443 20 0 BGADHN COc1ccccc1[C@@H](C)SCCN(C)C ZINC000277095954 175346177 /nfs/dbraw/zinc/34/61/77/175346177.db2.gz UTMYCIOWUYZMHR-LLVKDONJSA-N 0 3 239.384 3.051 20 0 BGADHN COc1ccccc1[C@H](C)SCCN(C)C ZINC000277095957 175352483 /nfs/dbraw/zinc/35/24/83/175352483.db2.gz UTMYCIOWUYZMHR-NSHDSACASA-N 0 3 239.384 3.051 20 0 BGADHN Cc1cccc([C@H](C)NC2CC(F)(F)C2)c1 ZINC000277104250 179194523 /nfs/dbraw/zinc/19/45/23/179194523.db2.gz LTIYKVANHJLXLE-JTQLQIEISA-N 0 3 225.282 3.443 20 0 BGADHN Cc1cccc([C@@H](C)NC2CC(F)(F)C2)c1 ZINC000277104253 179180001 /nfs/dbraw/zinc/18/00/01/179180001.db2.gz LTIYKVANHJLXLE-SNVBAGLBSA-N 0 3 225.282 3.443 20 0 BGADHN FC1(F)CC(N[C@@H]2CCc3ccccc32)C1 ZINC000277136458 388351984 /nfs/dbraw/zinc/35/19/84/388351984.db2.gz OWZJKJDGVMNYTE-GFCCVEGCSA-N 0 3 223.266 3.061 20 0 BGADHN FC1(F)CC(N[C@H]2CCc3ccccc32)C1 ZINC000277136464 388352654 /nfs/dbraw/zinc/35/26/54/388352654.db2.gz OWZJKJDGVMNYTE-LBPRGKRZSA-N 0 3 223.266 3.061 20 0 BGADHN Fc1ccc2c(c1)CC[C@H]2NC1CC(F)(F)C1 ZINC000277149804 386414515 /nfs/dbraw/zinc/41/45/15/386414515.db2.gz QEQILZKMHAZGDI-GFCCVEGCSA-N 0 3 241.256 3.200 20 0 BGADHN Fc1ccc2c(c1)CC[C@@H]2NC1CC(F)(F)C1 ZINC000277149808 386413565 /nfs/dbraw/zinc/41/35/65/386413565.db2.gz QEQILZKMHAZGDI-LBPRGKRZSA-N 0 3 241.256 3.200 20 0 BGADHN Cc1ccc2c(c1)[C@H](NC1CC(F)(F)C1)CC2 ZINC000277154027 386413829 /nfs/dbraw/zinc/41/38/29/386413829.db2.gz QKEQJRFVTZTQRK-CYBMUJFWSA-N 0 3 237.293 3.370 20 0 BGADHN Cc1ccc2c(c1)[C@@H](NC1CC(F)(F)C1)CC2 ZINC000277154033 386412923 /nfs/dbraw/zinc/41/29/23/386412923.db2.gz QKEQJRFVTZTQRK-ZDUSSCGKSA-N 0 3 237.293 3.370 20 0 BGADHN COc1ccc([C@@H](C)NC2CC(F)(F)C2)cc1 ZINC000277164710 187339812 /nfs/dbraw/zinc/33/98/12/187339812.db2.gz RJMATPDEEGEAEF-SECBINFHSA-N 0 3 241.281 3.144 20 0 BGADHN COc1ccc([C@H](C)NC2CC(F)(F)C2)cc1 ZINC000277164717 175188763 /nfs/dbraw/zinc/18/87/63/175188763.db2.gz RJMATPDEEGEAEF-VIFPVBQESA-N 0 3 241.281 3.144 20 0 BGADHN C[C@@H]1Cc2ccccc2[C@@H]1NC1CC(F)(F)C1 ZINC000277197577 411444453 /nfs/dbraw/zinc/44/44/53/411444453.db2.gz VJLMXRUGKALTLE-NOZJJQNGSA-N 0 3 237.293 3.307 20 0 BGADHN C[C@@H]1Cc2ccccc2[C@H]1NC1CC(F)(F)C1 ZINC000277197582 411444286 /nfs/dbraw/zinc/44/42/86/411444286.db2.gz VJLMXRUGKALTLE-RNCFNFMXSA-N 0 3 237.293 3.307 20 0 BGADHN C[C@H]1Cc2ccccc2[C@@H]1NC1CC(F)(F)C1 ZINC000277197588 177390900 /nfs/dbraw/zinc/39/09/00/177390900.db2.gz VJLMXRUGKALTLE-TVQRCGJNSA-N 0 3 237.293 3.307 20 0 BGADHN C[C@H]1Cc2ccccc2[C@H]1NC1CC(F)(F)C1 ZINC000277197592 177391804 /nfs/dbraw/zinc/39/18/04/177391804.db2.gz VJLMXRUGKALTLE-ZANVPECISA-N 0 3 237.293 3.307 20 0 BGADHN COc1ccccc1[C@@H](C)NC1CC(F)(F)C1 ZINC000277202059 175345414 /nfs/dbraw/zinc/34/54/14/175345414.db2.gz VTZXQRAFOMNCRZ-SECBINFHSA-N 0 3 241.281 3.144 20 0 BGADHN COc1ccccc1[C@H](C)NC1CC(F)(F)C1 ZINC000277202062 175350884 /nfs/dbraw/zinc/35/08/84/175350884.db2.gz VTZXQRAFOMNCRZ-VIFPVBQESA-N 0 3 241.281 3.144 20 0 BGADHN COc1cccc([C@@H](C)NC2CC(F)(F)C2)c1 ZINC000277208016 175286709 /nfs/dbraw/zinc/28/67/09/175286709.db2.gz WHYWUOVGHKPGRT-SECBINFHSA-N 0 3 241.281 3.144 20 0 BGADHN COc1cccc([C@H](C)NC2CC(F)(F)C2)c1 ZINC000277208018 175292797 /nfs/dbraw/zinc/29/27/97/175292797.db2.gz WHYWUOVGHKPGRT-VIFPVBQESA-N 0 3 241.281 3.144 20 0 BGADHN C[C@@H](NC1CC(F)(F)C1)c1ccc(F)cc1 ZINC000277224977 388353253 /nfs/dbraw/zinc/35/32/53/388353253.db2.gz YDJSPIZDSRWBLH-MRVPVSSYSA-N 0 3 229.245 3.274 20 0 BGADHN C[C@H](NC1CC(F)(F)C1)c1ccc(F)cc1 ZINC000277224979 388353721 /nfs/dbraw/zinc/35/37/21/388353721.db2.gz YDJSPIZDSRWBLH-QMMMGPOBSA-N 0 3 229.245 3.274 20 0 BGADHN C[C@@H](NC1CC(F)(F)C1)c1ccc(F)c(F)c1 ZINC000277234852 386418210 /nfs/dbraw/zinc/41/82/10/386418210.db2.gz ZCNMLTZBOVFJSN-SSDOTTSWSA-N 0 3 247.235 3.413 20 0 BGADHN C[C@H](NC1CC(F)(F)C1)c1ccc(F)c(F)c1 ZINC000277234858 386417647 /nfs/dbraw/zinc/41/76/47/386417647.db2.gz ZCNMLTZBOVFJSN-ZETCQYMHSA-N 0 3 247.235 3.413 20 0 BGADHN FC1(F)CC(Nc2ccnc3ccccc32)C1 ZINC000277283359 386425717 /nfs/dbraw/zinc/42/57/17/386425717.db2.gz YXOHWIVWDDNTRH-UHFFFAOYSA-N 0 3 234.249 3.444 20 0 BGADHN CC(C)(C)[C@@H]1C[C@@H](NCc2ccoc2)CS1 ZINC000277353046 187238823 /nfs/dbraw/zinc/23/88/23/187238823.db2.gz VUXGYLCJQLETNI-NEPJUHHUSA-N 0 3 239.384 3.289 20 0 BGADHN CC(C)(C)[C@H]1C[C@H](NCc2ccoc2)CS1 ZINC000277353050 188094600 /nfs/dbraw/zinc/09/46/00/188094600.db2.gz VUXGYLCJQLETNI-NWDGAFQWSA-N 0 3 239.384 3.289 20 0 BGADHN CC(C)(C)[C@@H]1C[C@H](NCc2ccoc2)CS1 ZINC000277353055 398174094 /nfs/dbraw/zinc/17/40/94/398174094.db2.gz VUXGYLCJQLETNI-RYUDHWBXSA-N 0 3 239.384 3.289 20 0 BGADHN CC(C)(C)[C@H]1C[C@@H](NCc2ccoc2)CS1 ZINC000277353058 398173771 /nfs/dbraw/zinc/17/37/71/398173771.db2.gz VUXGYLCJQLETNI-VXGBXAGGSA-N 0 3 239.384 3.289 20 0 BGADHN COC1(C[C@@H](C)N[C@H](C)c2ccccn2)CCC1 ZINC000277363199 174007582 /nfs/dbraw/zinc/00/75/82/174007582.db2.gz XFOKGLXPQIOKJX-CHWSQXEVSA-N 0 3 248.370 3.080 20 0 BGADHN COC1(C[C@@H](C)N[C@@H](C)c2ccccn2)CCC1 ZINC000277363202 174007959 /nfs/dbraw/zinc/00/79/59/174007959.db2.gz XFOKGLXPQIOKJX-OLZOCXBDSA-N 0 3 248.370 3.080 20 0 BGADHN COC1(C[C@H](C)N[C@H](C)c2ccccn2)CCC1 ZINC000277363204 174009368 /nfs/dbraw/zinc/00/93/68/174009368.db2.gz XFOKGLXPQIOKJX-QWHCGFSZSA-N 0 3 248.370 3.080 20 0 BGADHN COC1(C[C@H](C)N[C@@H](C)c2ccccn2)CCC1 ZINC000277363207 174009002 /nfs/dbraw/zinc/00/90/02/174009002.db2.gz XFOKGLXPQIOKJX-STQMWFEESA-N 0 3 248.370 3.080 20 0 BGADHN FC1(F)CC(NCc2cccc(Cl)c2)C1 ZINC000277364411 384791134 /nfs/dbraw/zinc/79/11/34/384791134.db2.gz BAYSCAVAKDZOHL-UHFFFAOYSA-N 0 3 231.673 3.227 20 0 BGADHN Cc1ccoc1CN[C@@H]1CCC12CCCC2 ZINC000277369660 398173911 /nfs/dbraw/zinc/17/39/11/398173911.db2.gz BMRUFPOILDMYDQ-CYBMUJFWSA-N 0 3 219.328 3.400 20 0 BGADHN Cc1ccoc1CN[C@H]1CCC12CCCC2 ZINC000277369667 398173938 /nfs/dbraw/zinc/17/39/38/398173938.db2.gz BMRUFPOILDMYDQ-ZDUSSCGKSA-N 0 3 219.328 3.400 20 0 BGADHN FC1(F)CC(NCc2cccc3[nH]ccc32)C1 ZINC000277372295 386430340 /nfs/dbraw/zinc/43/03/40/386430340.db2.gz BTWWJUPFWLTATC-UHFFFAOYSA-N 0 3 236.265 3.055 20 0 BGADHN Fc1ccc(/C=C/CNC2CC(F)(F)C2)cc1 ZINC000277381512 386430500 /nfs/dbraw/zinc/43/05/00/386430500.db2.gz CNDVGSNZIVNMPU-OWOJBTEDSA-N 0 3 241.256 3.226 20 0 BGADHN C/C(=C\c1ccccc1)CNC1CC(F)(F)C1 ZINC000277391808 411445092 /nfs/dbraw/zinc/44/50/92/411445092.db2.gz DJIBUTPCZUDJBB-YRNVUSSQSA-N 0 3 237.293 3.477 20 0 BGADHN Cc1ccc(C)c(CNC2CC(F)(F)C2)c1 ZINC000277409928 398174368 /nfs/dbraw/zinc/17/43/68/398174368.db2.gz FPDPZLFNVNQQBU-UHFFFAOYSA-N 0 3 225.282 3.191 20 0 BGADHN Cc1cccc(C)c1CNC1CC(F)(F)C1 ZINC000277412411 179036853 /nfs/dbraw/zinc/03/68/53/179036853.db2.gz FVXKEWFGLVGOCR-UHFFFAOYSA-N 0 3 225.282 3.191 20 0 BGADHN COCc1ccc(CNC2CCC3(CC3)CC2)o1 ZINC000277420462 386434271 /nfs/dbraw/zinc/43/42/71/386434271.db2.gz APFZCTVEHAEIQF-UHFFFAOYSA-N 0 3 249.354 3.238 20 0 BGADHN Cc1ccoc1CNC1CCC2(CC2)CC1 ZINC000277553625 398177482 /nfs/dbraw/zinc/17/74/82/398177482.db2.gz ZLRGFOVSWNSSJS-UHFFFAOYSA-N 0 3 219.328 3.400 20 0 BGADHN CCCN1CCC(c2ncc(C)s2)CC1 ZINC000277585145 169191678 /nfs/dbraw/zinc/19/16/78/169191678.db2.gz ZBMCZPHMDYBMRH-UHFFFAOYSA-N 0 3 224.373 3.041 20 0 BGADHN CCCN(CC)Cc1ccc(C(F)(F)F)cn1 ZINC000277593930 169129922 /nfs/dbraw/zinc/12/99/22/169129922.db2.gz DMCNTKYYNWAJDX-UHFFFAOYSA-N 0 3 246.276 3.332 20 0 BGADHN FC1(F)CC(NCc2ccc(Cl)s2)C1 ZINC000277608018 387541499 /nfs/dbraw/zinc/54/14/99/387541499.db2.gz JDOJDZCQOYUWQC-UHFFFAOYSA-N 0 3 237.702 3.289 20 0 BGADHN Cc1cc(C)c(CNC2CC(F)(F)C2)c(C)c1 ZINC000277618603 386451531 /nfs/dbraw/zinc/45/15/31/386451531.db2.gz JUGUSCUQICGOHD-UHFFFAOYSA-N 0 3 239.309 3.499 20 0 BGADHN COc1ccnc(CN(CC2CCC2)C(C)C)c1 ZINC000277624760 175359409 /nfs/dbraw/zinc/35/94/09/175359409.db2.gz ARQCRTDWZFRAFV-UHFFFAOYSA-N 0 3 248.370 3.101 20 0 BGADHN Fc1cc(Cl)cc(CNC2CC(F)(F)C2)c1 ZINC000277641995 386456974 /nfs/dbraw/zinc/45/69/74/386456974.db2.gz LZAMFBYSCGKFNW-UHFFFAOYSA-N 0 3 249.663 3.366 20 0 BGADHN Cc1ccc(CNC2CC(F)(F)C2)cc1F ZINC000277649935 388354399 /nfs/dbraw/zinc/35/43/99/388354399.db2.gz MVJMKAUABPAEFN-UHFFFAOYSA-N 0 3 229.245 3.021 20 0 BGADHN FC1(F)CC(NCc2ccc(Cl)cc2)C1 ZINC000277661891 388354174 /nfs/dbraw/zinc/35/41/74/388354174.db2.gz OCVLYGRVSSEMGM-UHFFFAOYSA-N 0 3 231.673 3.227 20 0 BGADHN FC1(F)CC(NCc2ccc3ncccc3c2)C1 ZINC000277665241 386455400 /nfs/dbraw/zinc/45/54/00/386455400.db2.gz OJGKHZHOBBSUEC-UHFFFAOYSA-N 0 3 248.276 3.122 20 0 BGADHN Cc1ccc(CNC2CC(F)(F)C2)c(C)c1 ZINC000277667472 388354204 /nfs/dbraw/zinc/35/42/04/388354204.db2.gz OPLDWUBDGLCNQW-UHFFFAOYSA-N 0 3 225.282 3.191 20 0 BGADHN Cc1cc(CNC2CC(F)(F)C2)ccc1F ZINC000277675607 178019540 /nfs/dbraw/zinc/01/95/40/178019540.db2.gz PFOOMZYUUHTAHZ-UHFFFAOYSA-N 0 3 229.245 3.021 20 0 BGADHN CN(Cc1ccc(C(F)(F)F)cn1)C1CCC1 ZINC000277680053 386458005 /nfs/dbraw/zinc/45/80/05/386458005.db2.gz KKNBTQLMGGSQBO-UHFFFAOYSA-N 0 3 244.260 3.085 20 0 BGADHN C[C@H]1COCC[C@@H]1Nc1ccnc2ccccc21 ZINC000277681096 177295998 /nfs/dbraw/zinc/29/59/98/177295998.db2.gz QGMPCLOQSZJMOQ-AAEUAGOBSA-N 0 3 242.322 3.072 20 0 BGADHN C[C@@H]1COCC[C@H]1Nc1ccnc2ccccc21 ZINC000277681102 176345766 /nfs/dbraw/zinc/34/57/66/176345766.db2.gz QGMPCLOQSZJMOQ-DGCLKSJQSA-N 0 3 242.322 3.072 20 0 BGADHN C[C@H]1COCC[C@H]1Nc1ccnc2ccccc21 ZINC000277681107 177297273 /nfs/dbraw/zinc/29/72/73/177297273.db2.gz QGMPCLOQSZJMOQ-WCQYABFASA-N 0 3 242.322 3.072 20 0 BGADHN C[C@@H]1COCC[C@@H]1Nc1ccnc2ccccc21 ZINC000277681113 176342320 /nfs/dbraw/zinc/34/23/20/176342320.db2.gz QGMPCLOQSZJMOQ-YPMHNXCESA-N 0 3 242.322 3.072 20 0 BGADHN Fc1ccc(CNC2CC(F)(F)C2)cc1Cl ZINC000277712050 384816050 /nfs/dbraw/zinc/81/60/50/384816050.db2.gz SGRILTRIABGUJU-UHFFFAOYSA-N 0 3 249.663 3.366 20 0 BGADHN Fc1cc(CNC2CC(F)(F)C2)ccc1Cl ZINC000277712174 384815843 /nfs/dbraw/zinc/81/58/43/384815843.db2.gz SHLBHFPPQWVJDI-UHFFFAOYSA-N 0 3 249.663 3.366 20 0 BGADHN FC1(F)CC(NC/C=C/c2ccccc2)C1 ZINC000277734081 180914573 /nfs/dbraw/zinc/91/45/73/180914573.db2.gz URWNDJBUUKJKJD-QPJJXVBHSA-N 0 3 223.266 3.087 20 0 BGADHN FC1(F)CC(NCc2cccc3cc[nH]c32)C1 ZINC000277738515 386463584 /nfs/dbraw/zinc/46/35/84/386463584.db2.gz VBRVDAAWBXITDG-UHFFFAOYSA-N 0 3 236.265 3.055 20 0 BGADHN FC1(F)CC(NCc2cccc3cccnc32)C1 ZINC000277743122 398032429 /nfs/dbraw/zinc/03/24/29/398032429.db2.gz VNGIOGKPEGYDCW-UHFFFAOYSA-N 0 3 248.276 3.122 20 0 BGADHN CC(C)(C)CNCc1ccc2c(n1)CCCC2 ZINC000277745040 370691624 /nfs/dbraw/zinc/69/16/24/370691624.db2.gz QGYAJGISPPRTEI-UHFFFAOYSA-N 0 3 232.371 3.096 20 0 BGADHN Cc1cc(C)c(CNC2CC(F)(F)C2)cc1C ZINC000277752279 398033254 /nfs/dbraw/zinc/03/32/54/398033254.db2.gz WJPOOFMBSQRUCU-UHFFFAOYSA-N 0 3 239.309 3.499 20 0 BGADHN C[C@@H]1CCCN1Cc1ccc(C(F)(F)F)cn1 ZINC000277776191 176108280 /nfs/dbraw/zinc/10/82/80/176108280.db2.gz RMLGGIWHGKKWIL-SECBINFHSA-N 0 3 244.260 3.085 20 0 BGADHN C[C@H]1CCCN1Cc1ccc(C(F)(F)F)cn1 ZINC000277776194 177110154 /nfs/dbraw/zinc/11/01/54/177110154.db2.gz RMLGGIWHGKKWIL-VIFPVBQESA-N 0 3 244.260 3.085 20 0 BGADHN Cc1cc(F)ccc1CNC1CC(F)(F)C1 ZINC000277781123 178085208 /nfs/dbraw/zinc/08/52/08/178085208.db2.gz ZDUQCDZEKQDOHA-UHFFFAOYSA-N 0 3 229.245 3.021 20 0 BGADHN Cc1ccc(CNC2CC(F)(F)C2)cc1C ZINC000277788250 398178613 /nfs/dbraw/zinc/17/86/13/398178613.db2.gz ZYBUGQOEHVNLGG-UHFFFAOYSA-N 0 3 225.282 3.191 20 0 BGADHN Cc1cc(C)cc(CNC2CC(F)(F)C2)c1 ZINC000277788272 398178281 /nfs/dbraw/zinc/17/82/81/398178281.db2.gz ZYILARNCMNQGMQ-UHFFFAOYSA-N 0 3 225.282 3.191 20 0 BGADHN CCN(Cc1ccc(C(F)(F)F)cn1)C(C)C ZINC000277810461 351727371 /nfs/dbraw/zinc/72/73/71/351727371.db2.gz UVCMLBJWNWGGGN-UHFFFAOYSA-N 0 3 246.276 3.331 20 0 BGADHN CC(C)CN(C)Cc1ccc(C(F)(F)F)cn1 ZINC000277887943 351733843 /nfs/dbraw/zinc/73/38/43/351733843.db2.gz ZQQOTJWLNJRABI-UHFFFAOYSA-N 0 3 246.276 3.188 20 0 BGADHN CCCCN(C)Cc1ccc(C(F)(F)F)cn1 ZINC000277907125 386477010 /nfs/dbraw/zinc/47/70/10/386477010.db2.gz GOLNXCSPWMSRAE-UHFFFAOYSA-N 0 3 246.276 3.332 20 0 BGADHN FC(F)(F)c1ccc(CN2CCCCC2)nc1 ZINC000278094663 386489804 /nfs/dbraw/zinc/48/98/04/386489804.db2.gz JUSKQZHASGKUNC-UHFFFAOYSA-N 0 3 244.260 3.086 20 0 BGADHN CC(C)N(Cc1ccco1)C[C@H]1CCC=CO1 ZINC000278139917 386494433 /nfs/dbraw/zinc/49/44/33/386494433.db2.gz AQGYKHUILHTSBE-CYBMUJFWSA-N 0 3 235.327 3.183 20 0 BGADHN CC(C)N(Cc1ccco1)C[C@@H]1CCC=CO1 ZINC000278139919 386495736 /nfs/dbraw/zinc/49/57/36/386495736.db2.gz AQGYKHUILHTSBE-ZDUSSCGKSA-N 0 3 235.327 3.183 20 0 BGADHN Cc1ncsc1CN(C)CC1(C)CCC1 ZINC000278153582 180314127 /nfs/dbraw/zinc/31/41/27/180314127.db2.gz CNCIPUSYUGSLHQ-UHFFFAOYSA-N 0 3 224.373 3.074 20 0 BGADHN Cc1ccccc1CN(C)C[C@@H]1CCC=CO1 ZINC000278176291 179269415 /nfs/dbraw/zinc/26/94/15/179269415.db2.gz GJVKTRFPXKMFRL-HNNXBMFYSA-N 0 3 231.339 3.120 20 0 BGADHN Cc1ccccc1CN(C)C[C@H]1CCC=CO1 ZINC000278176295 179268523 /nfs/dbraw/zinc/26/85/23/179268523.db2.gz GJVKTRFPXKMFRL-OAHLLOKOSA-N 0 3 231.339 3.120 20 0 BGADHN CCC[C@@H](C)NCc1ccc2c(n1)CCCC2 ZINC000278183067 169370295 /nfs/dbraw/zinc/37/02/95/169370295.db2.gz BPHPPHXTWANLPZ-GFCCVEGCSA-N 0 3 232.371 3.239 20 0 BGADHN CCC[C@H](C)NCc1ccc2c(n1)CCCC2 ZINC000278183069 386498018 /nfs/dbraw/zinc/49/80/18/386498018.db2.gz BPHPPHXTWANLPZ-LBPRGKRZSA-N 0 3 232.371 3.239 20 0 BGADHN CN(Cc1ccc(Cl)nc1)CC1(C)CCC1 ZINC000278183925 386496725 /nfs/dbraw/zinc/49/67/25/386496725.db2.gz HGGLIOTUEHMPSH-UHFFFAOYSA-N 0 3 238.762 3.357 20 0 BGADHN CCN(Cc1ccc(C(F)(F)F)cn1)C1CC1 ZINC000278194717 351749799 /nfs/dbraw/zinc/74/97/99/351749799.db2.gz RUUYYEKCIXXUJO-UHFFFAOYSA-N 0 3 244.260 3.085 20 0 BGADHN C=Cn1cc(CN2CCC3(CCCC3)CC2)cn1 ZINC000278249084 386504388 /nfs/dbraw/zinc/50/43/88/386504388.db2.gz OYRFTVKWGCIGRO-UHFFFAOYSA-N 0 3 245.370 3.140 20 0 BGADHN C[C@@H]1C[C@@H]1CNCc1sccc1Cl ZINC000278319662 176397230 /nfs/dbraw/zinc/39/72/30/176397230.db2.gz FHYOYIIXLBCPSF-HTQZYQBOSA-N 0 3 215.749 3.147 20 0 BGADHN C[C@H]1C[C@@H]1CNCc1sccc1Cl ZINC000278319666 177345984 /nfs/dbraw/zinc/34/59/84/177345984.db2.gz FHYOYIIXLBCPSF-JGVFFNPUSA-N 0 3 215.749 3.147 20 0 BGADHN C[C@@H]1C[C@H]1CNCc1sccc1Cl ZINC000278319669 388354843 /nfs/dbraw/zinc/35/48/43/388354843.db2.gz FHYOYIIXLBCPSF-SFYZADRCSA-N 0 3 215.749 3.147 20 0 BGADHN C[C@H]1C[C@H]1CNCc1sccc1Cl ZINC000278319674 177381964 /nfs/dbraw/zinc/38/19/64/177381964.db2.gz FHYOYIIXLBCPSF-YUMQZZPRSA-N 0 3 215.749 3.147 20 0 BGADHN CCN(Cc1ccccn1)CC1(C)CCC1 ZINC000278325989 351757687 /nfs/dbraw/zinc/75/76/87/351757687.db2.gz YSKCQICVOZISID-UHFFFAOYSA-N 0 3 218.344 3.094 20 0 BGADHN Cc1ncc(CN(C)CC2(C)CCC2)s1 ZINC000278328537 180138252 /nfs/dbraw/zinc/13/82/52/180138252.db2.gz ZBZOMMOKGRBYJK-UHFFFAOYSA-N 0 3 224.373 3.074 20 0 BGADHN Cc1ccc(CN2CC[C@@H](CC(F)(F)F)C2)o1 ZINC000278338606 386513249 /nfs/dbraw/zinc/51/32/49/386513249.db2.gz HMLNDRBQDHAXKW-JTQLQIEISA-N 0 3 247.260 3.362 20 0 BGADHN Cc1ccc(CN2CC[C@H](CC(F)(F)F)C2)o1 ZINC000278338620 386515417 /nfs/dbraw/zinc/51/54/17/386515417.db2.gz HMLNDRBQDHAXKW-SNVBAGLBSA-N 0 3 247.260 3.362 20 0 BGADHN Cc1ccc(CNCc2ccc(F)nc2C)cc1 ZINC000278345556 386513354 /nfs/dbraw/zinc/51/33/54/386513354.db2.gz HUPHDQKENZNZQO-UHFFFAOYSA-N 0 3 244.313 3.127 20 0 BGADHN CO[C@H](CNCc1cc(Cl)cs1)C(C)C ZINC000278353987 174866919 /nfs/dbraw/zinc/86/69/19/174866919.db2.gz IESGKVKRRZOMRF-LLVKDONJSA-N 0 3 247.791 3.162 20 0 BGADHN CO[C@@H](CNCc1cc(Cl)cs1)C(C)C ZINC000278353989 388354741 /nfs/dbraw/zinc/35/47/41/388354741.db2.gz IESGKVKRRZOMRF-NSHDSACASA-N 0 3 247.791 3.162 20 0 BGADHN Cc1nc(F)ccc1CN(C)[C@H](C)C1(C)CC1 ZINC000278355342 386514816 /nfs/dbraw/zinc/51/48/16/386514816.db2.gz AHGQMEHKKLDTGT-LLVKDONJSA-N 0 3 236.334 3.150 20 0 BGADHN Cc1nc(F)ccc1CN(C)[C@@H](C)C1(C)CC1 ZINC000278355346 188203963 /nfs/dbraw/zinc/20/39/63/188203963.db2.gz AHGQMEHKKLDTGT-NSHDSACASA-N 0 3 236.334 3.150 20 0 BGADHN CN(Cc1ccccc1F)C[C@H]1CCSC1 ZINC000278357720 386515256 /nfs/dbraw/zinc/51/52/56/386515256.db2.gz AOIQAFUIGBAQCD-LLVKDONJSA-N 0 3 239.359 3.011 20 0 BGADHN CN(Cc1ccccc1F)C[C@@H]1CCSC1 ZINC000278357725 386513146 /nfs/dbraw/zinc/51/31/46/386513146.db2.gz AOIQAFUIGBAQCD-NSHDSACASA-N 0 3 239.359 3.011 20 0 BGADHN Cc1nc(F)ccc1CN1CC[C@@H](C)C[C@H]1C ZINC000278384568 188204313 /nfs/dbraw/zinc/20/43/13/188204313.db2.gz DETZMJFOEGQLLM-GHMZBOCLSA-N 0 3 236.334 3.150 20 0 BGADHN Cc1nc(F)ccc1CN1CC[C@@H](C)C[C@@H]1C ZINC000278384572 386517540 /nfs/dbraw/zinc/51/75/40/386517540.db2.gz DETZMJFOEGQLLM-MNOVXSKESA-N 0 3 236.334 3.150 20 0 BGADHN Cc1nc(F)ccc1CN1CC[C@H](C)C[C@@H]1C ZINC000278384578 188204132 /nfs/dbraw/zinc/20/41/32/188204132.db2.gz DETZMJFOEGQLLM-QWRGUYRKSA-N 0 3 236.334 3.150 20 0 BGADHN Cc1nc(F)ccc1CN1CC[C@H](C)C[C@H]1C ZINC000278384583 386516782 /nfs/dbraw/zinc/51/67/82/386516782.db2.gz DETZMJFOEGQLLM-WDEREUQCSA-N 0 3 236.334 3.150 20 0 BGADHN CO[C@H](CN[C@H](C)c1cc(C)oc1C)C(C)C ZINC000278389663 388355051 /nfs/dbraw/zinc/35/50/51/388355051.db2.gz DRXQCICQVPWULX-BXUZGUMPSA-N 0 3 239.359 3.218 20 0 BGADHN CO[C@@H](CN[C@@H](C)c1cc(C)oc1C)C(C)C ZINC000278389667 388355386 /nfs/dbraw/zinc/35/53/86/388355386.db2.gz DRXQCICQVPWULX-FZMZJTMJSA-N 0 3 239.359 3.218 20 0 BGADHN CO[C@@H](CN[C@H](C)c1cc(C)oc1C)C(C)C ZINC000278389669 388355506 /nfs/dbraw/zinc/35/55/06/388355506.db2.gz DRXQCICQVPWULX-RISCZKNCSA-N 0 3 239.359 3.218 20 0 BGADHN CO[C@H](CN[C@@H](C)c1cc(C)oc1C)C(C)C ZINC000278389673 388355382 /nfs/dbraw/zinc/35/53/82/388355382.db2.gz DRXQCICQVPWULX-SMDDNHRTSA-N 0 3 239.359 3.218 20 0 BGADHN Cc1nc(F)ccc1CN1CCC[C@@H]1C(C)C ZINC000278391091 386521242 /nfs/dbraw/zinc/52/12/42/386521242.db2.gz DTOKCIXCTLLQCV-CYBMUJFWSA-N 0 3 236.334 3.150 20 0 BGADHN Cc1nc(F)ccc1CN1CCC[C@H]1C(C)C ZINC000278391096 188203725 /nfs/dbraw/zinc/20/37/25/188203725.db2.gz DTOKCIXCTLLQCV-ZDUSSCGKSA-N 0 3 236.334 3.150 20 0 BGADHN CC[C@H](C)CN(C)Cc1ccc(F)nc1C ZINC000278397774 171274622 /nfs/dbraw/zinc/27/46/22/171274622.db2.gz FNSGPXGPTXGKNT-JTQLQIEISA-N 0 3 224.323 3.007 20 0 BGADHN CC[C@@H](C)CN(C)Cc1ccc(F)nc1C ZINC000278397775 386520771 /nfs/dbraw/zinc/52/07/71/386520771.db2.gz FNSGPXGPTXGKNT-SNVBAGLBSA-N 0 3 224.323 3.007 20 0 BGADHN CCC[C@H](C)N(C)Cc1ccc(F)nc1C ZINC000278400697 386524177 /nfs/dbraw/zinc/52/41/77/386524177.db2.gz FSTGHRCKACTNFF-JTQLQIEISA-N 0 3 224.323 3.150 20 0 BGADHN CCC[C@@H](C)N(C)Cc1ccc(F)nc1C ZINC000278400698 169365638 /nfs/dbraw/zinc/36/56/38/169365638.db2.gz FSTGHRCKACTNFF-SNVBAGLBSA-N 0 3 224.323 3.150 20 0 BGADHN Cc1ccoc1CN1CC[C@@H](CC(F)(F)F)C1 ZINC000278404589 386521823 /nfs/dbraw/zinc/52/18/23/386521823.db2.gz OXWUYLVWFOKCLM-JTQLQIEISA-N 0 3 247.260 3.362 20 0 BGADHN Cc1ccoc1CN1CC[C@H](CC(F)(F)F)C1 ZINC000278404591 386522456 /nfs/dbraw/zinc/52/24/56/386522456.db2.gz OXWUYLVWFOKCLM-SNVBAGLBSA-N 0 3 247.260 3.362 20 0 BGADHN Cc1nc(F)ccc1CN1CC[C@@H](C)[C@H](C)C1 ZINC000278406870 386523852 /nfs/dbraw/zinc/52/38/52/386523852.db2.gz GQCPWTJEODJWNN-GHMZBOCLSA-N 0 3 236.334 3.007 20 0 BGADHN Cc1nc(F)ccc1CN1CC[C@@H](C)[C@@H](C)C1 ZINC000278406871 386523292 /nfs/dbraw/zinc/52/32/92/386523292.db2.gz GQCPWTJEODJWNN-MNOVXSKESA-N 0 3 236.334 3.007 20 0 BGADHN Cc1nc(F)ccc1CN1CC[C@H](C)[C@@H](C)C1 ZINC000278406874 386523646 /nfs/dbraw/zinc/52/36/46/386523646.db2.gz GQCPWTJEODJWNN-QWRGUYRKSA-N 0 3 236.334 3.007 20 0 BGADHN Cc1nc(F)ccc1CN1CC[C@H](C)[C@H](C)C1 ZINC000278406876 386523157 /nfs/dbraw/zinc/52/31/57/386523157.db2.gz GQCPWTJEODJWNN-WDEREUQCSA-N 0 3 236.334 3.007 20 0 BGADHN Cc1nc(F)ccc1CN[C@H](C)c1ccccc1 ZINC000278410172 386522545 /nfs/dbraw/zinc/52/25/45/386522545.db2.gz PCHFXYMFSLFOAO-LLVKDONJSA-N 0 3 244.313 3.380 20 0 BGADHN Cc1nc(F)ccc1CN[C@@H](C)c1ccccc1 ZINC000278410174 386523091 /nfs/dbraw/zinc/52/30/91/386523091.db2.gz PCHFXYMFSLFOAO-NSHDSACASA-N 0 3 244.313 3.380 20 0 BGADHN Cc1nc(F)ccc1CN1CCC[C@@H]2CCC[C@H]21 ZINC000278415083 188030733 /nfs/dbraw/zinc/03/07/33/188030733.db2.gz HPTUYTWMIAGQJR-GXTWGEPZSA-N 0 3 248.345 3.294 20 0 BGADHN Cc1nc(F)ccc1CN1CCC[C@@H]2CCC[C@@H]21 ZINC000278415084 386521786 /nfs/dbraw/zinc/52/17/86/386521786.db2.gz HPTUYTWMIAGQJR-JSGCOSHPSA-N 0 3 248.345 3.294 20 0 BGADHN Cc1nc(F)ccc1CN1CCC[C@H]2CCC[C@@H]21 ZINC000278415085 386522967 /nfs/dbraw/zinc/52/29/67/386522967.db2.gz HPTUYTWMIAGQJR-OCCSQVGLSA-N 0 3 248.345 3.294 20 0 BGADHN Cc1nc(F)ccc1CN1CCC[C@H]2CCC[C@H]21 ZINC000278415086 188381762 /nfs/dbraw/zinc/38/17/62/188381762.db2.gz HPTUYTWMIAGQJR-TZMCWYRMSA-N 0 3 248.345 3.294 20 0 BGADHN CCCCN(Cc1ccc(F)nc1C)C1CC1 ZINC000278424331 386524937 /nfs/dbraw/zinc/52/49/37/386524937.db2.gz IZHXFKVZMKVBPK-UHFFFAOYSA-N 0 3 236.334 3.294 20 0 BGADHN C[C@H](c1ccco1)N(C)C[C@H]1CCSC1 ZINC000278427243 177047784 /nfs/dbraw/zinc/04/77/84/177047784.db2.gz JJIAAPIDHPIHFO-GHMZBOCLSA-N 0 3 225.357 3.026 20 0 BGADHN C[C@H](c1ccco1)N(C)C[C@@H]1CCSC1 ZINC000278427245 177047710 /nfs/dbraw/zinc/04/77/10/177047710.db2.gz JJIAAPIDHPIHFO-MNOVXSKESA-N 0 3 225.357 3.026 20 0 BGADHN C[C@@H](c1ccco1)N(C)C[C@@H]1CCSC1 ZINC000278427246 176032319 /nfs/dbraw/zinc/03/23/19/176032319.db2.gz JJIAAPIDHPIHFO-QWRGUYRKSA-N 0 3 225.357 3.026 20 0 BGADHN C[C@@H](c1ccco1)N(C)C[C@H]1CCSC1 ZINC000278427248 176032001 /nfs/dbraw/zinc/03/20/01/176032001.db2.gz JJIAAPIDHPIHFO-WDEREUQCSA-N 0 3 225.357 3.026 20 0 BGADHN CCOc1ccc(CN(C)CC2CC2)cc1F ZINC000278431080 386527573 /nfs/dbraw/zinc/52/75/73/386527573.db2.gz JZCUIUUZGMRLKB-UHFFFAOYSA-N 0 3 237.318 3.066 20 0 BGADHN Cc1nc(F)ccc1CN(C)CC1CCCC1 ZINC000278434777 188204344 /nfs/dbraw/zinc/20/43/44/188204344.db2.gz KNGHRLNKPOLKBJ-UHFFFAOYSA-N 0 3 236.334 3.151 20 0 BGADHN Cc1nc(F)ccc1CN([C@H](C)C1CC1)C1CC1 ZINC000278440291 187341220 /nfs/dbraw/zinc/34/12/20/187341220.db2.gz LKHYZZALQDOWCX-LLVKDONJSA-N 0 3 248.345 3.292 20 0 BGADHN Cc1nc(F)ccc1CN([C@@H](C)C1CC1)C1CC1 ZINC000278440292 187340733 /nfs/dbraw/zinc/34/07/33/187340733.db2.gz LKHYZZALQDOWCX-NSHDSACASA-N 0 3 248.345 3.292 20 0 BGADHN Cc1ccccc1CNCc1ccc(F)nc1C ZINC000278440570 179282456 /nfs/dbraw/zinc/28/24/56/179282456.db2.gz UKGKZHLDXVJUDW-UHFFFAOYSA-N 0 3 244.313 3.127 20 0 BGADHN C[C@H]1CCN(Cc2cnc(-c3ccco3)s2)C1 ZINC000278443794 177166365 /nfs/dbraw/zinc/16/63/65/177166365.db2.gz MAGJHLMRVZNLSZ-JTQLQIEISA-N 0 3 248.351 3.245 20 0 BGADHN C[C@@H]1CCN(Cc2cnc(-c3ccco3)s2)C1 ZINC000278443797 176178060 /nfs/dbraw/zinc/17/80/60/176178060.db2.gz MAGJHLMRVZNLSZ-SNVBAGLBSA-N 0 3 248.351 3.245 20 0 BGADHN Cc1nc(F)ccc1CN1C[C@@H](C)CC1(C)C ZINC000278455759 187340501 /nfs/dbraw/zinc/34/05/01/187340501.db2.gz OADAHMOHKSZKRB-JTQLQIEISA-N 0 3 236.334 3.150 20 0 BGADHN Cc1nc(F)ccc1CN1C[C@H](C)CC1(C)C ZINC000278455760 386529209 /nfs/dbraw/zinc/52/92/09/386529209.db2.gz OADAHMOHKSZKRB-SNVBAGLBSA-N 0 3 236.334 3.150 20 0 BGADHN Cc1nc(F)ccc1CN1CCC[C@H]1C1CCC1 ZINC000278458995 187340937 /nfs/dbraw/zinc/34/09/37/187340937.db2.gz OOJPYCJFQBOLOJ-AWEZNQCLSA-N 0 3 248.345 3.294 20 0 BGADHN Cc1nc(F)ccc1CN1CCC[C@@H]1C1CCC1 ZINC000278458996 187852426 /nfs/dbraw/zinc/85/24/26/187852426.db2.gz OOJPYCJFQBOLOJ-CQSZACIVSA-N 0 3 248.345 3.294 20 0 BGADHN Cc1nc(F)ccc1CN(C)CC(C)(C)C ZINC000278462359 188203805 /nfs/dbraw/zinc/20/38/05/188203805.db2.gz PCBHTPCVTIRQHF-UHFFFAOYSA-N 0 3 224.323 3.007 20 0 BGADHN CC[C@@H]1CCCN(Cc2ccc(F)nc2C)C1 ZINC000278470941 351765240 /nfs/dbraw/zinc/76/52/40/351765240.db2.gz QKDIRBFCURVZFZ-GFCCVEGCSA-N 0 3 236.334 3.151 20 0 BGADHN CC[C@H]1CCCN(Cc2ccc(F)nc2C)C1 ZINC000278470943 386530454 /nfs/dbraw/zinc/53/04/54/386530454.db2.gz QKDIRBFCURVZFZ-LBPRGKRZSA-N 0 3 236.334 3.151 20 0 BGADHN CC1(C)C[C@H]1NCc1cnc(-c2ccco2)s1 ZINC000278477752 188030267 /nfs/dbraw/zinc/03/02/67/188030267.db2.gz KEDRZFWABJVANP-LLVKDONJSA-N 0 3 248.351 3.291 20 0 BGADHN CC1(C)C[C@@H]1NCc1cnc(-c2ccco2)s1 ZINC000278477754 386532313 /nfs/dbraw/zinc/53/23/13/386532313.db2.gz KEDRZFWABJVANP-NSHDSACASA-N 0 3 248.351 3.291 20 0 BGADHN Clc1ccsc1CN[C@@H]1CCCSC1 ZINC000278482239 387541542 /nfs/dbraw/zinc/54/15/42/387541542.db2.gz KYESMLDHLWGHID-MRVPVSSYSA-N 0 3 247.816 3.387 20 0 BGADHN Clc1ccsc1CN[C@H]1CCCSC1 ZINC000278482242 387539751 /nfs/dbraw/zinc/53/97/51/387539751.db2.gz KYESMLDHLWGHID-QMMMGPOBSA-N 0 3 247.816 3.387 20 0 BGADHN C[C@H](CC1CC1)NCc1ccc2c(n1)CCCC2 ZINC000278495051 386533840 /nfs/dbraw/zinc/53/38/40/386533840.db2.gz PXSBDJXKXRLOSF-GFCCVEGCSA-N 0 3 244.382 3.239 20 0 BGADHN C[C@@H](CC1CC1)NCc1ccc2c(n1)CCCC2 ZINC000278495055 386533778 /nfs/dbraw/zinc/53/37/78/386533778.db2.gz PXSBDJXKXRLOSF-LBPRGKRZSA-N 0 3 244.382 3.239 20 0 BGADHN Cc1nc(F)ccc1CN1CCCC(C)(C)C1 ZINC000278523414 386539688 /nfs/dbraw/zinc/53/96/88/386539688.db2.gz YJOIQOYSXQVDSE-UHFFFAOYSA-N 0 3 236.334 3.151 20 0 BGADHN CCC1CCN(Cc2ccc(F)nc2C)CC1 ZINC000278523621 386540585 /nfs/dbraw/zinc/54/05/85/386540585.db2.gz YNWXNYUPWWPXSW-UHFFFAOYSA-N 0 3 236.334 3.151 20 0 BGADHN Cc1nc(F)ccc1CN(CC(C)C)C1CC1 ZINC000278525916 188030999 /nfs/dbraw/zinc/03/09/99/188030999.db2.gz YXLNYLXEFWZLJK-UHFFFAOYSA-N 0 3 236.334 3.150 20 0 BGADHN Cc1nc(F)ccc1CN1C[C@H](C)CC[C@H]1C ZINC000278528386 188204127 /nfs/dbraw/zinc/20/41/27/188204127.db2.gz ZFUVLWGGMOLMHK-GHMZBOCLSA-N 0 3 236.334 3.150 20 0 BGADHN Cc1nc(F)ccc1CN1C[C@H](C)CC[C@@H]1C ZINC000278528388 386543493 /nfs/dbraw/zinc/54/34/93/386543493.db2.gz ZFUVLWGGMOLMHK-MNOVXSKESA-N 0 3 236.334 3.150 20 0 BGADHN Cc1nc(F)ccc1CN1C[C@@H](C)CC[C@@H]1C ZINC000278528390 386542307 /nfs/dbraw/zinc/54/23/07/386542307.db2.gz ZFUVLWGGMOLMHK-QWRGUYRKSA-N 0 3 236.334 3.150 20 0 BGADHN Cc1nc(F)ccc1CN1C[C@@H](C)CC[C@H]1C ZINC000278528392 386541887 /nfs/dbraw/zinc/54/18/87/386541887.db2.gz ZFUVLWGGMOLMHK-WDEREUQCSA-N 0 3 236.334 3.150 20 0 BGADHN Cc1nc(F)ccc1CN1CCC[C@H](C)[C@H]1C ZINC000278532097 386541652 /nfs/dbraw/zinc/54/16/52/386541652.db2.gz ZXEMPPAACHJJMW-CMPLNLGQSA-N 0 3 236.334 3.150 20 0 BGADHN Cc1nc(F)ccc1CN1CCC[C@H](C)[C@@H]1C ZINC000278532098 386542358 /nfs/dbraw/zinc/54/23/58/386542358.db2.gz ZXEMPPAACHJJMW-JQWIXIFHSA-N 0 3 236.334 3.150 20 0 BGADHN Cc1nc(F)ccc1CN1CCC[C@@H](C)[C@@H]1C ZINC000278532099 386543145 /nfs/dbraw/zinc/54/31/45/386543145.db2.gz ZXEMPPAACHJJMW-PWSUYJOCSA-N 0 3 236.334 3.150 20 0 BGADHN Cc1nc(F)ccc1CN1CCC[C@@H](C)[C@H]1C ZINC000278532100 188204438 /nfs/dbraw/zinc/20/44/38/188204438.db2.gz ZXEMPPAACHJJMW-ZYHUDNBSSA-N 0 3 236.334 3.150 20 0 BGADHN Clc1ccsc1CNC1CCC1 ZINC000278541727 386543862 /nfs/dbraw/zinc/54/38/62/386543862.db2.gz TZKKXHCUBQRDJQ-UHFFFAOYSA-N 0 3 201.722 3.044 20 0 BGADHN CC1CC(NCc2sccc2Cl)C1 ZINC000278548163 168146609 /nfs/dbraw/zinc/14/66/09/168146609.db2.gz USGGVARIYIQDLP-UHFFFAOYSA-N 0 3 215.749 3.290 20 0 BGADHN Cc1nc(F)ccc1CN1CCCC[C@@H](C)C1 ZINC000278560763 386548385 /nfs/dbraw/zinc/54/83/85/386548385.db2.gz FLKORSTUQHJTSE-LLVKDONJSA-N 0 3 236.334 3.151 20 0 BGADHN Cc1nc(F)ccc1CN1CCCC[C@H](C)C1 ZINC000278560767 188030739 /nfs/dbraw/zinc/03/07/39/188030739.db2.gz FLKORSTUQHJTSE-NSHDSACASA-N 0 3 236.334 3.151 20 0 BGADHN CO[C@@H](CNCc1sccc1Cl)C(C)C ZINC000278575532 384014918 /nfs/dbraw/zinc/01/49/18/384014918.db2.gz XXHVCWYTUKQUAY-JTQLQIEISA-N 0 3 247.791 3.162 20 0 BGADHN CO[C@H](CNCc1sccc1Cl)C(C)C ZINC000278575534 384016807 /nfs/dbraw/zinc/01/68/07/384016807.db2.gz XXHVCWYTUKQUAY-SNVBAGLBSA-N 0 3 247.791 3.162 20 0 BGADHN CC1CC(NCc2cnc(-c3ccco3)s2)C1 ZINC000278580632 168146645 /nfs/dbraw/zinc/14/66/45/168146645.db2.gz YJQFVCUBIWKGHI-UHFFFAOYSA-N 0 3 248.351 3.291 20 0 BGADHN CCC[C@@](C)(O)CNCc1sccc1Cl ZINC000278586052 384026545 /nfs/dbraw/zinc/02/65/45/384026545.db2.gz ZAZAXVXMBLKFOW-LLVKDONJSA-N 0 3 247.791 3.042 20 0 BGADHN CCC[C@](C)(O)CNCc1sccc1Cl ZINC000278586054 384025068 /nfs/dbraw/zinc/02/50/68/384025068.db2.gz ZAZAXVXMBLKFOW-NSHDSACASA-N 0 3 247.791 3.042 20 0 BGADHN Cc1nccnc1[C@@H](C)NC1CCC2(CC2)CC1 ZINC000278613545 180279252 /nfs/dbraw/zinc/27/92/52/180279252.db2.gz FVSYZEAMYAKMIA-GFCCVEGCSA-N 0 3 245.370 3.158 20 0 BGADHN Cc1nccnc1[C@H](C)NC1CCC2(CC2)CC1 ZINC000278613546 180282314 /nfs/dbraw/zinc/28/23/14/180282314.db2.gz FVSYZEAMYAKMIA-LBPRGKRZSA-N 0 3 245.370 3.158 20 0 BGADHN FC1(F)CC(N[C@H]2CCCc3occc32)C1 ZINC000278618587 384036210 /nfs/dbraw/zinc/03/62/10/384036210.db2.gz GDFSPNSKRJVIQA-JTQLQIEISA-N 0 3 227.254 3.044 20 0 BGADHN FC1(F)CC(N[C@@H]2CCCc3occc32)C1 ZINC000278618592 384036121 /nfs/dbraw/zinc/03/61/21/384036121.db2.gz GDFSPNSKRJVIQA-SNVBAGLBSA-N 0 3 227.254 3.044 20 0 BGADHN FC1(F)CC(NCc2cc(Cl)cs2)C1 ZINC000278619641 386554471 /nfs/dbraw/zinc/55/44/71/386554471.db2.gz DPEBCWMAOBNZRE-UHFFFAOYSA-N 0 3 237.702 3.289 20 0 BGADHN C[C@@H]1C[C@@H](NCc2sccc2Cl)CCO1 ZINC000278686355 176377951 /nfs/dbraw/zinc/37/79/51/176377951.db2.gz IKMGYNILASHNDC-BDAKNGLRSA-N 0 3 245.775 3.059 20 0 BGADHN C[C@H]1C[C@H](NCc2sccc2Cl)CCO1 ZINC000278686360 177372041 /nfs/dbraw/zinc/37/20/41/177372041.db2.gz IKMGYNILASHNDC-DTWKUNHWSA-N 0 3 245.775 3.059 20 0 BGADHN C[C@H]1C[C@@H](NCc2sccc2Cl)CCO1 ZINC000278686364 177333423 /nfs/dbraw/zinc/33/34/23/177333423.db2.gz IKMGYNILASHNDC-IUCAKERBSA-N 0 3 245.775 3.059 20 0 BGADHN C[C@@H]1C[C@H](NCc2sccc2Cl)CCO1 ZINC000278686365 384106727 /nfs/dbraw/zinc/10/67/27/384106727.db2.gz IKMGYNILASHNDC-RKDXNWHRSA-N 0 3 245.775 3.059 20 0 BGADHN CSC1(CNCc2sccc2Cl)CC1 ZINC000278697202 384112767 /nfs/dbraw/zinc/11/27/67/384112767.db2.gz QLMJYZYUJJMGMX-UHFFFAOYSA-N 0 3 247.816 3.387 20 0 BGADHN COC1(CN[C@H](C)c2ccc(C)o2)CCCC1 ZINC000278697800 174005056 /nfs/dbraw/zinc/00/50/56/174005056.db2.gz SSIAZRANWODKDO-GFCCVEGCSA-N 0 3 237.343 3.198 20 0 BGADHN COC1(CN[C@@H](C)c2ccc(C)o2)CCCC1 ZINC000278697801 174003467 /nfs/dbraw/zinc/00/34/67/174003467.db2.gz SSIAZRANWODKDO-LBPRGKRZSA-N 0 3 237.343 3.198 20 0 BGADHN C[C@H](N[C@H]1CCCc2occc21)[C@H]1CCCCO1 ZINC000278707951 384123290 /nfs/dbraw/zinc/12/32/90/384123290.db2.gz LJZNIGLJEFHWBI-FPMFFAJLSA-N 0 3 249.354 3.204 20 0 BGADHN C[C@H](N[C@@H]1CCCc2occc21)[C@H]1CCCCO1 ZINC000278707953 384123452 /nfs/dbraw/zinc/12/34/52/384123452.db2.gz LJZNIGLJEFHWBI-IACUBPJLSA-N 0 3 249.354 3.204 20 0 BGADHN C[C@H](N[C@H]1CCCc2occc21)[C@@H]1CCCCO1 ZINC000278707955 384123758 /nfs/dbraw/zinc/12/37/58/384123758.db2.gz LJZNIGLJEFHWBI-UBHSHLNASA-N 0 3 249.354 3.204 20 0 BGADHN C[C@H](N[C@@H]1CCCc2occc21)[C@@H]1CCCCO1 ZINC000278707957 384122731 /nfs/dbraw/zinc/12/27/31/384122731.db2.gz LJZNIGLJEFHWBI-YUTCNCBUSA-N 0 3 249.354 3.204 20 0 BGADHN Cc1nccnc1[C@@H](C)NCC(C(C)C)C(C)C ZINC000278708004 180280599 /nfs/dbraw/zinc/28/05/99/180280599.db2.gz LLLYRNGQRRKSEJ-CYBMUJFWSA-N 0 3 249.402 3.364 20 0 BGADHN Cc1nccnc1[C@H](C)NCC(C(C)C)C(C)C ZINC000278708005 180281215 /nfs/dbraw/zinc/28/12/15/180281215.db2.gz LLLYRNGQRRKSEJ-ZDUSSCGKSA-N 0 3 249.402 3.364 20 0 BGADHN CCOC(C)(C)CNCc1sccc1Cl ZINC000278721232 170313565 /nfs/dbraw/zinc/31/35/65/170313565.db2.gz KZKMGQMSVYMBEV-UHFFFAOYSA-N 0 3 247.791 3.306 20 0 BGADHN Cc1cc(C)nc(NCc2ccc(F)nc2C)c1 ZINC000278727035 386576363 /nfs/dbraw/zinc/57/63/63/386576363.db2.gz KOJOCRPNMJGALH-UHFFFAOYSA-N 0 3 245.301 3.153 20 0 BGADHN CSCCCN(C)Cc1cc(F)cc(F)c1 ZINC000278752494 386579242 /nfs/dbraw/zinc/57/92/42/386579242.db2.gz MFSMXWRNKSSCPB-UHFFFAOYSA-N 0 3 245.338 3.150 20 0 BGADHN CC(C)N(Cc1cncc(F)c1)CC1CCC1 ZINC000278799906 386587771 /nfs/dbraw/zinc/58/77/71/386587771.db2.gz XQUMMRDKKQTNAT-UHFFFAOYSA-N 0 3 236.334 3.231 20 0 BGADHN C[C@@H](CN[C@H](C)c1ncc[nH]1)Cc1cccs1 ZINC000278844965 538935124 /nfs/dbraw/zinc/93/51/24/538935124.db2.gz DNKFPJCJHUYPQO-GHMZBOCLSA-N 0 3 249.383 3.001 20 0 BGADHN C[C@@H](CN[C@@H](C)c1ncc[nH]1)Cc1cccs1 ZINC000278844967 538935134 /nfs/dbraw/zinc/93/51/34/538935134.db2.gz DNKFPJCJHUYPQO-MNOVXSKESA-N 0 3 249.383 3.001 20 0 BGADHN C[C@H](CN[C@@H](C)c1ncc[nH]1)Cc1cccs1 ZINC000278844969 538935009 /nfs/dbraw/zinc/93/50/09/538935009.db2.gz DNKFPJCJHUYPQO-QWRGUYRKSA-N 0 3 249.383 3.001 20 0 BGADHN C[C@@H](NC[C@@H](C)Cc1cccs1)c1ncc[nH]1 ZINC000278844970 538935263 /nfs/dbraw/zinc/93/52/63/538935263.db2.gz DNKFPJCJHUYPQO-WDEREUQCSA-N 0 3 249.383 3.001 20 0 BGADHN Cc1cccc2c1ncc(C)c2NCCCCO ZINC000278862573 386596937 /nfs/dbraw/zinc/59/69/37/386596937.db2.gz YLPQFUJFAGYYSU-UHFFFAOYSA-N 0 3 244.338 3.036 20 0 BGADHN Cc1cc([C@@H](C)NC2CC(F)(F)C2)c(C)o1 ZINC000278862771 178222476 /nfs/dbraw/zinc/22/24/76/178222476.db2.gz WIUMBSVPARNFMD-MRVPVSSYSA-N 0 3 229.270 3.345 20 0 BGADHN Cc1cc([C@H](C)NC2CC(F)(F)C2)c(C)o1 ZINC000278862776 178245025 /nfs/dbraw/zinc/24/50/25/178245025.db2.gz WIUMBSVPARNFMD-QMMMGPOBSA-N 0 3 229.270 3.345 20 0 BGADHN FC(F)(F)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000278891787 386602293 /nfs/dbraw/zinc/60/22/93/386602293.db2.gz UPJARUPXOIJDJY-GFCCVEGCSA-N 0 3 243.272 3.461 20 0 BGADHN FC(F)(F)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000278891794 386604145 /nfs/dbraw/zinc/60/41/45/386604145.db2.gz UPJARUPXOIJDJY-LBPRGKRZSA-N 0 3 243.272 3.461 20 0 BGADHN CC(C)CC[C@@H](N[C@@H](C)CCO)c1ccoc1 ZINC000278896404 166897568 /nfs/dbraw/zinc/89/75/68/166897568.db2.gz IKOXYYDLJZWRRT-GXTWGEPZSA-N 0 3 239.359 3.117 20 0 BGADHN CC(C)CC[C@H](N[C@@H](C)CCO)c1ccoc1 ZINC000278896405 351789315 /nfs/dbraw/zinc/78/93/15/351789315.db2.gz IKOXYYDLJZWRRT-JSGCOSHPSA-N 0 3 239.359 3.117 20 0 BGADHN CC(C)CC[C@H](N[C@H](C)CCO)c1ccoc1 ZINC000278896406 351789576 /nfs/dbraw/zinc/78/95/76/351789576.db2.gz IKOXYYDLJZWRRT-OCCSQVGLSA-N 0 3 239.359 3.117 20 0 BGADHN CC(C)CC[C@@H](N[C@H](C)CCO)c1ccoc1 ZINC000278896408 386603402 /nfs/dbraw/zinc/60/34/02/386603402.db2.gz IKOXYYDLJZWRRT-TZMCWYRMSA-N 0 3 239.359 3.117 20 0 BGADHN CCn1nccc1C1CCN(CC=C(C)C)CC1 ZINC000278901161 386601770 /nfs/dbraw/zinc/60/17/70/386601770.db2.gz PKPLEYUFXSFRLA-UHFFFAOYSA-N 0 3 247.386 3.049 20 0 BGADHN CC(C)(C)NCc1ncc(C(C)(C)C)s1 ZINC000279036561 384751751 /nfs/dbraw/zinc/75/17/51/384751751.db2.gz CDKPNRLFQTWKGE-UHFFFAOYSA-N 0 3 226.389 3.329 20 0 BGADHN CC(C)CNCc1ncc(C(C)(C)C)s1 ZINC000279119042 167010300 /nfs/dbraw/zinc/01/03/00/167010300.db2.gz LJCGPCDUAIRLDO-UHFFFAOYSA-N 0 3 226.389 3.186 20 0 BGADHN CCCCNCc1ncc(C(C)(C)C)s1 ZINC000279120702 168870471 /nfs/dbraw/zinc/87/04/71/168870471.db2.gz LQOCCCTVBLPGJE-UHFFFAOYSA-N 0 3 226.389 3.330 20 0 BGADHN CC[C@@H](C)NCc1ncc(C(C)(C)C)s1 ZINC000279134531 384935505 /nfs/dbraw/zinc/93/55/05/384935505.db2.gz NCYPMLUIGGYBOO-SECBINFHSA-N 0 3 226.389 3.329 20 0 BGADHN CC[C@H](C)NCc1ncc(C(C)(C)C)s1 ZINC000279134532 171344349 /nfs/dbraw/zinc/34/43/49/171344349.db2.gz NCYPMLUIGGYBOO-VIFPVBQESA-N 0 3 226.389 3.329 20 0 BGADHN C[C@H]1CCC[C@H]1NCc1cccc(Cl)n1 ZINC000279167392 177142991 /nfs/dbraw/zinc/14/29/91/177142991.db2.gz BPDPHUSBLFXDFT-GXSJLCMTSA-N 0 3 224.735 3.013 20 0 BGADHN C[C@@H]1CCC[C@@H]1NCc1cccc(Cl)n1 ZINC000279167394 176132033 /nfs/dbraw/zinc/13/20/33/176132033.db2.gz BPDPHUSBLFXDFT-KOLCDFICSA-N 0 3 224.735 3.013 20 0 BGADHN C[C@@H]1CCC[C@H]1NCc1cccc(Cl)n1 ZINC000279167395 176150669 /nfs/dbraw/zinc/15/06/69/176150669.db2.gz BPDPHUSBLFXDFT-MWLCHTKSSA-N 0 3 224.735 3.013 20 0 BGADHN C[C@H]1CCC[C@@H]1NCc1cccc(Cl)n1 ZINC000279167397 177126758 /nfs/dbraw/zinc/12/67/58/177126758.db2.gz BPDPHUSBLFXDFT-ONGXEEELSA-N 0 3 224.735 3.013 20 0 BGADHN CCOCCN(C)Cc1cccc(C(F)F)c1 ZINC000279186688 170390177 /nfs/dbraw/zinc/39/01/77/170390177.db2.gz CGTTZSZWIIUBMB-UHFFFAOYSA-N 0 3 243.297 3.093 20 0 BGADHN c1cc(Sc2ccccn2)oc1CNC1CC1 ZINC000279214605 386650562 /nfs/dbraw/zinc/65/05/62/386650562.db2.gz HGXVZFRAPGUWGR-UHFFFAOYSA-N 0 3 246.335 3.078 20 0 BGADHN C[C@@H]1CCC[C@@H]1NCc1cnc(Cl)s1 ZINC000279231137 176132252 /nfs/dbraw/zinc/13/22/52/176132252.db2.gz JEEUBKWXSOJRMQ-APPZFPTMSA-N 0 3 230.764 3.075 20 0 BGADHN C[C@H]1CCC[C@@H]1NCc1cnc(Cl)s1 ZINC000279231138 177126545 /nfs/dbraw/zinc/12/65/45/177126545.db2.gz JEEUBKWXSOJRMQ-CBAPKCEASA-N 0 3 230.764 3.075 20 0 BGADHN C[C@H]1CCC[C@H]1NCc1cnc(Cl)s1 ZINC000279231139 177142897 /nfs/dbraw/zinc/14/28/97/177142897.db2.gz JEEUBKWXSOJRMQ-IONNQARKSA-N 0 3 230.764 3.075 20 0 BGADHN C[C@@H]1CCC[C@H]1NCc1cnc(Cl)s1 ZINC000279231140 176150510 /nfs/dbraw/zinc/15/05/10/176150510.db2.gz JEEUBKWXSOJRMQ-VXNVDRBHSA-N 0 3 230.764 3.075 20 0 BGADHN CC(C)(C)c1cnc(CNC2CCC2)s1 ZINC000279233935 385087748 /nfs/dbraw/zinc/08/77/48/385087748.db2.gz YZOYBMFEVKVKPO-UHFFFAOYSA-N 0 3 224.373 3.083 20 0 BGADHN C[C@@H](c1ccco1)N(C)C[C@@H](O)c1ccccc1 ZINC000279327740 176031204 /nfs/dbraw/zinc/03/12/04/176031204.db2.gz GWZHQNZQRRQSOZ-GXTWGEPZSA-N 0 3 245.322 3.006 20 0 BGADHN C[C@H](c1ccco1)N(C)C[C@@H](O)c1ccccc1 ZINC000279327744 177048066 /nfs/dbraw/zinc/04/80/66/177048066.db2.gz GWZHQNZQRRQSOZ-TZMCWYRMSA-N 0 3 245.322 3.006 20 0 BGADHN COCCCN(C)Cc1cccc(C(F)F)c1 ZINC000279363562 174218848 /nfs/dbraw/zinc/21/88/48/174218848.db2.gz KRRQWDOLPBRQBN-UHFFFAOYSA-N 0 3 243.297 3.093 20 0 BGADHN CCCCN(CC)Cc1ccc(F)nc1C ZINC000279430483 386683674 /nfs/dbraw/zinc/68/36/74/386683674.db2.gz GOTOHEJNRVJQST-UHFFFAOYSA-N 0 3 224.323 3.151 20 0 BGADHN CN1CCC(Nc2ccc(C3CCC3)cc2)CC1 ZINC000279442568 188205338 /nfs/dbraw/zinc/20/53/38/188205338.db2.gz HPVBZTZXJRNBLC-UHFFFAOYSA-N 0 3 244.382 3.460 20 0 BGADHN FC(F)c1cccc(CN2CCCC2)c1 ZINC000279466746 411449625 /nfs/dbraw/zinc/44/96/25/411449625.db2.gz MMEUJBBWSDPONO-UHFFFAOYSA-N 0 3 211.255 3.220 20 0 BGADHN Cc1ccc(CN2CCSC(C)(C)CC2)o1 ZINC000279474119 386686803 /nfs/dbraw/zinc/68/68/03/386686803.db2.gz SNABQNIITCXXSC-UHFFFAOYSA-N 0 3 239.384 3.306 20 0 BGADHN Cc1ccoc1CN1CCSC(C)(C)CC1 ZINC000279505482 386690557 /nfs/dbraw/zinc/69/05/57/386690557.db2.gz WOJIAFYVVFZXGQ-UHFFFAOYSA-N 0 3 239.384 3.306 20 0 BGADHN CN(Cc1cccc(C(F)F)c1)C1CC1 ZINC000279507521 386690413 /nfs/dbraw/zinc/69/04/13/386690413.db2.gz RCXOZLRRKZRVSY-UHFFFAOYSA-N 0 3 211.255 3.218 20 0 BGADHN CC1(C)CCN(Cc2ccsc2)CCS1 ZINC000279517139 351815473 /nfs/dbraw/zinc/81/54/73/351815473.db2.gz XZVIVPWXROUMIM-UHFFFAOYSA-N 0 3 241.425 3.466 20 0 BGADHN Cc1nc(F)ccc1CN1C[C@H](C)C[C@@H](C)C1 ZINC000279530258 188032021 /nfs/dbraw/zinc/03/20/21/188032021.db2.gz PDUIBVOPHIQEFL-GHMZBOCLSA-N 0 3 236.334 3.007 20 0 BGADHN Cc1nc(F)ccc1CN1C[C@H](C)C[C@H](C)C1 ZINC000279530262 187341915 /nfs/dbraw/zinc/34/19/15/187341915.db2.gz PDUIBVOPHIQEFL-PHIMTYICSA-N 0 3 236.334 3.007 20 0 BGADHN Cc1nc(F)ccc1CN1C[C@@H](C)C[C@H](C)C1 ZINC000279530267 188205090 /nfs/dbraw/zinc/20/50/90/188205090.db2.gz PDUIBVOPHIQEFL-QWRGUYRKSA-N 0 3 236.334 3.007 20 0 BGADHN CCN(CCOC)Cc1cccc(C(F)F)c1 ZINC000279530829 386694779 /nfs/dbraw/zinc/69/47/79/386694779.db2.gz UMEOGJNFVZBXBN-UHFFFAOYSA-N 0 3 243.297 3.093 20 0 BGADHN CO[C@@H](c1ccccc1)[C@H](C)NCC=C(C)C ZINC000279542816 386699069 /nfs/dbraw/zinc/69/90/69/386699069.db2.gz QGNLXWYKMJYVDS-DZGCQCFKSA-N 0 3 233.355 3.318 20 0 BGADHN CO[C@H](c1ccccc1)[C@@H](C)NCC=C(C)C ZINC000279542818 386698623 /nfs/dbraw/zinc/69/86/23/386698623.db2.gz QGNLXWYKMJYVDS-HIFRSBDPSA-N 0 3 233.355 3.318 20 0 BGADHN CO[C@@H](c1ccccc1)[C@@H](C)NCC=C(C)C ZINC000279542820 386698409 /nfs/dbraw/zinc/69/84/09/386698409.db2.gz QGNLXWYKMJYVDS-UKRRQHHQSA-N 0 3 233.355 3.318 20 0 BGADHN CO[C@H](c1ccccc1)[C@H](C)NCC=C(C)C ZINC000279542821 386697130 /nfs/dbraw/zinc/69/71/30/386697130.db2.gz QGNLXWYKMJYVDS-ZFWWWQNUSA-N 0 3 233.355 3.318 20 0 BGADHN Cc1ccccc1-n1nccc1CN(C)C(C)C ZINC000279544525 179242713 /nfs/dbraw/zinc/24/27/13/179242713.db2.gz CZZBRSJXVNSEAQ-UHFFFAOYSA-N 0 3 243.354 3.021 20 0 BGADHN C[C@H]1CCN(Cc2cccc(C(F)F)c2)C1 ZINC000279596949 177165583 /nfs/dbraw/zinc/16/55/83/177165583.db2.gz FCJKHRNEDQUHHL-JTQLQIEISA-N 0 3 225.282 3.466 20 0 BGADHN C[C@@H]1CCN(Cc2cccc(C(F)F)c2)C1 ZINC000279596951 176175672 /nfs/dbraw/zinc/17/56/72/176175672.db2.gz FCJKHRNEDQUHHL-SNVBAGLBSA-N 0 3 225.282 3.466 20 0 BGADHN CC[C@@H]1CCCCN1Cc1ccc(F)nc1C ZINC000279606549 351819230 /nfs/dbraw/zinc/81/92/30/351819230.db2.gz WVSZMKKDHYHVSG-CYBMUJFWSA-N 0 3 236.334 3.294 20 0 BGADHN CC[C@H]1CCCCN1Cc1ccc(F)nc1C ZINC000279606551 386705222 /nfs/dbraw/zinc/70/52/22/386705222.db2.gz WVSZMKKDHYHVSG-ZDUSSCGKSA-N 0 3 236.334 3.294 20 0 BGADHN Cc1nc(F)ccc1CN1CCCCCCC1 ZINC000279622822 386711437 /nfs/dbraw/zinc/71/14/37/386711437.db2.gz YJIGTARYMUVAQY-UHFFFAOYSA-N 0 3 236.334 3.295 20 0 BGADHN CO[C@H](c1ccccc1)[C@@H](C)NCc1ccco1 ZINC000279638677 386713013 /nfs/dbraw/zinc/71/30/13/386713013.db2.gz AMYHLVHNRNJQNA-DOMZBBRYSA-N 0 3 245.322 3.145 20 0 BGADHN CO[C@@H](c1ccccc1)[C@@H](C)NCc1ccco1 ZINC000279638681 386714575 /nfs/dbraw/zinc/71/45/75/386714575.db2.gz AMYHLVHNRNJQNA-IUODEOHRSA-N 0 3 245.322 3.145 20 0 BGADHN CO[C@@H](c1ccccc1)[C@H](C)NCc1ccco1 ZINC000279638684 188205384 /nfs/dbraw/zinc/20/53/84/188205384.db2.gz AMYHLVHNRNJQNA-SWLSCSKDSA-N 0 3 245.322 3.145 20 0 BGADHN CO[C@H](c1ccccc1)[C@H](C)NCc1ccco1 ZINC000279638688 386712957 /nfs/dbraw/zinc/71/29/57/386712957.db2.gz AMYHLVHNRNJQNA-WFASDCNBSA-N 0 3 245.322 3.145 20 0 BGADHN CO[C@H](c1ccccc1)[C@@H](C)NCc1ccoc1 ZINC000279668398 386716835 /nfs/dbraw/zinc/71/68/35/386716835.db2.gz FKBXRYKHJAUADB-DOMZBBRYSA-N 0 3 245.322 3.145 20 0 BGADHN CO[C@@H](c1ccccc1)[C@@H](C)NCc1ccoc1 ZINC000279668399 386718007 /nfs/dbraw/zinc/71/80/07/386718007.db2.gz FKBXRYKHJAUADB-IUODEOHRSA-N 0 3 245.322 3.145 20 0 BGADHN CO[C@@H](c1ccccc1)[C@H](C)NCc1ccoc1 ZINC000279668401 386718133 /nfs/dbraw/zinc/71/81/33/386718133.db2.gz FKBXRYKHJAUADB-SWLSCSKDSA-N 0 3 245.322 3.145 20 0 BGADHN CO[C@H](c1ccccc1)[C@H](C)NCc1ccoc1 ZINC000279668403 386717064 /nfs/dbraw/zinc/71/70/64/386717064.db2.gz FKBXRYKHJAUADB-WFASDCNBSA-N 0 3 245.322 3.145 20 0 BGADHN Fc1ccc2c(c1)[C@@H](NCc1cc[nH]c1)CCC2 ZINC000279793342 411451000 /nfs/dbraw/zinc/45/10/00/411451000.db2.gz MPKOPDBPCAJMAC-HNNXBMFYSA-N 0 3 244.313 3.321 20 0 BGADHN Fc1ccc2c(c1)[C@H](NCc1cc[nH]c1)CCC2 ZINC000279793346 411450974 /nfs/dbraw/zinc/45/09/74/411450974.db2.gz MPKOPDBPCAJMAC-OAHLLOKOSA-N 0 3 244.313 3.321 20 0 BGADHN COC[C@@H](NC1CCC1)c1ccc(Cl)cc1 ZINC000279830247 385208029 /nfs/dbraw/zinc/20/80/29/385208029.db2.gz YWWRYPRFRWAVBV-CYBMUJFWSA-N 0 3 239.746 3.170 20 0 BGADHN COC[C@H](NC1CCC1)c1ccc(Cl)cc1 ZINC000279830262 385207770 /nfs/dbraw/zinc/20/77/70/385207770.db2.gz YWWRYPRFRWAVBV-ZDUSSCGKSA-N 0 3 239.746 3.170 20 0 BGADHN CCc1ccc([C@@H](C)NC[C@H]2CCSC2)o1 ZINC000279846912 517849575 /nfs/dbraw/zinc/84/95/75/517849575.db2.gz DDUSWFQBTOUDHK-GHMZBOCLSA-N 0 3 239.384 3.246 20 0 BGADHN CCc1ccc([C@@H](C)NC[C@@H]2CCSC2)o1 ZINC000279846915 385213272 /nfs/dbraw/zinc/21/32/72/385213272.db2.gz DDUSWFQBTOUDHK-MNOVXSKESA-N 0 3 239.384 3.246 20 0 BGADHN CCc1ccc([C@H](C)NC[C@@H]2CCSC2)o1 ZINC000279846919 385210486 /nfs/dbraw/zinc/21/04/86/385210486.db2.gz DDUSWFQBTOUDHK-QWRGUYRKSA-N 0 3 239.384 3.246 20 0 BGADHN CCc1ccc([C@H](C)NC[C@H]2CCSC2)o1 ZINC000279846923 385211903 /nfs/dbraw/zinc/21/19/03/385211903.db2.gz DDUSWFQBTOUDHK-WDEREUQCSA-N 0 3 239.384 3.246 20 0 BGADHN CC(C)[C@H]1C[C@@H](N[C@H]2CCOC2)c2ccccc21 ZINC000279853975 386746351 /nfs/dbraw/zinc/74/63/51/386746351.db2.gz DPFLOTPYVLNPBU-APHBMKBZSA-N 0 3 245.366 3.250 20 0 BGADHN CC(C)[C@H]1C[C@@H](N[C@@H]2CCOC2)c2ccccc21 ZINC000279853982 386744840 /nfs/dbraw/zinc/74/48/40/386744840.db2.gz DPFLOTPYVLNPBU-DAXOMENPSA-N 0 3 245.366 3.250 20 0 BGADHN CCN(Cc1ccnn1-c1ccccc1)C(C)C ZINC000279868244 351826678 /nfs/dbraw/zinc/82/66/78/351826678.db2.gz QNLYCYAYCLRTLK-UHFFFAOYSA-N 0 3 243.354 3.103 20 0 BGADHN Cc1ccc([C@H](NC(C)C)c2ccccn2)cc1 ZINC000279924186 386756782 /nfs/dbraw/zinc/75/67/82/386756782.db2.gz FPFYDYJAWHMTCU-INIZCTEOSA-N 0 3 240.350 3.477 20 0 BGADHN Cc1ccc([C@@H](NC(C)C)c2ccccn2)cc1 ZINC000279924189 386758168 /nfs/dbraw/zinc/75/81/68/386758168.db2.gz FPFYDYJAWHMTCU-MRXNPFEDSA-N 0 3 240.350 3.477 20 0 BGADHN Cc1nc([C@@H](C)NCCC2(C)CC2)cs1 ZINC000279935273 180036103 /nfs/dbraw/zinc/03/61/03/180036103.db2.gz AXNXXDOOYFOJBJ-SECBINFHSA-N 0 3 224.373 3.292 20 0 BGADHN Cc1nc([C@H](C)NCCC2(C)CC2)cs1 ZINC000279935275 180049210 /nfs/dbraw/zinc/04/92/10/180049210.db2.gz AXNXXDOOYFOJBJ-VIFPVBQESA-N 0 3 224.373 3.292 20 0 BGADHN Cc1ccc([C@@H](C)NCCc2cccc(C)n2)o1 ZINC000280084562 179060331 /nfs/dbraw/zinc/06/03/31/179060331.db2.gz LXLJJNKYLRRGTH-CYBMUJFWSA-N 0 3 244.338 3.185 20 0 BGADHN Cc1ccc([C@H](C)NCCc2cccc(C)n2)o1 ZINC000280084568 179058435 /nfs/dbraw/zinc/05/84/35/179058435.db2.gz LXLJJNKYLRRGTH-ZDUSSCGKSA-N 0 3 244.338 3.185 20 0 BGADHN Cc1ccsc1CNCc1ccnn1C(C)C ZINC000280090635 385254874 /nfs/dbraw/zinc/25/48/74/385254874.db2.gz YZVKIMYDOJQRQI-UHFFFAOYSA-N 0 3 249.383 3.124 20 0 BGADHN Clc1ccsc1CNC[C@H]1CCSC1 ZINC000280098565 180597598 /nfs/dbraw/zinc/59/75/98/180597598.db2.gz ODNODPKACGZDCV-MRVPVSSYSA-N 0 3 247.816 3.244 20 0 BGADHN Clc1ccsc1CNC[C@@H]1CCSC1 ZINC000280098567 385253347 /nfs/dbraw/zinc/25/33/47/385253347.db2.gz ODNODPKACGZDCV-QMMMGPOBSA-N 0 3 247.816 3.244 20 0 BGADHN C[C@H](NCCC1(C)CC1)c1ccc(F)cn1 ZINC000280182493 385273151 /nfs/dbraw/zinc/27/31/51/385273151.db2.gz RSEVHJYFSDNAIU-JTQLQIEISA-N 0 3 222.307 3.062 20 0 BGADHN C[C@@H](NCCC1(C)CC1)c1ccc(F)cn1 ZINC000280182498 385273349 /nfs/dbraw/zinc/27/33/49/385273349.db2.gz RSEVHJYFSDNAIU-SNVBAGLBSA-N 0 3 222.307 3.062 20 0 BGADHN C[C@@H]1CCCC[C@H]1N(C)Cc1cncc(F)c1 ZINC000280212112 176086960 /nfs/dbraw/zinc/08/69/60/176086960.db2.gz KEOQDIAFRDSLCL-BXUZGUMPSA-N 0 3 236.334 3.231 20 0 BGADHN C[C@H]1CCCC[C@@H]1N(C)Cc1cncc(F)c1 ZINC000280212115 177081089 /nfs/dbraw/zinc/08/10/89/177081089.db2.gz KEOQDIAFRDSLCL-FZMZJTMJSA-N 0 3 236.334 3.231 20 0 BGADHN C[C@@H]1CCCC[C@@H]1N(C)Cc1cncc(F)c1 ZINC000280212117 176079032 /nfs/dbraw/zinc/07/90/32/176079032.db2.gz KEOQDIAFRDSLCL-RISCZKNCSA-N 0 3 236.334 3.231 20 0 BGADHN C[C@H]1CCCC[C@H]1N(C)Cc1cncc(F)c1 ZINC000280212119 177086582 /nfs/dbraw/zinc/08/65/82/177086582.db2.gz KEOQDIAFRDSLCL-SMDDNHRTSA-N 0 3 236.334 3.231 20 0 BGADHN Cc1cc(C)nc(NCc2cnccc2C)c1 ZINC000280252680 386795061 /nfs/dbraw/zinc/79/50/61/386795061.db2.gz KSWZRGVXGPQGKJ-UHFFFAOYSA-N 0 3 227.311 3.014 20 0 BGADHN Fc1ccccc1CCCNCc1ccco1 ZINC000280272264 181010522 /nfs/dbraw/zinc/01/05/22/181010522.db2.gz MQUDIEJFNJPAFC-UHFFFAOYSA-N 0 3 233.286 3.141 20 0 BGADHN C[C@H](c1cnccn1)N1CCC[C@@H](C(C)(C)C)C1 ZINC000280286279 177051815 /nfs/dbraw/zinc/05/18/15/177051815.db2.gz DVSMXVADLMXNSH-CHWSQXEVSA-N 0 3 247.386 3.296 20 0 BGADHN C[C@H](c1cnccn1)N1CCC[C@H](C(C)(C)C)C1 ZINC000280286281 177051482 /nfs/dbraw/zinc/05/14/82/177051482.db2.gz DVSMXVADLMXNSH-OLZOCXBDSA-N 0 3 247.386 3.296 20 0 BGADHN C[C@@H](c1cnccn1)N1CCC[C@@H](C(C)(C)C)C1 ZINC000280286283 176036592 /nfs/dbraw/zinc/03/65/92/176036592.db2.gz DVSMXVADLMXNSH-QWHCGFSZSA-N 0 3 247.386 3.296 20 0 BGADHN C[C@@H](c1cnccn1)N1CCC[C@H](C(C)(C)C)C1 ZINC000280286287 176037154 /nfs/dbraw/zinc/03/71/54/176037154.db2.gz DVSMXVADLMXNSH-STQMWFEESA-N 0 3 247.386 3.296 20 0 BGADHN Cc1cc(C)nc(NCc2ccnn2C(C)C)c1 ZINC000280334826 386803710 /nfs/dbraw/zinc/80/37/10/386803710.db2.gz QGDHKQSRRCWIJQ-UHFFFAOYSA-N 0 3 244.342 3.088 20 0 BGADHN Cc1ccc([C@@H](C)N(C)Cc2cnc[nH]2)c(C)c1 ZINC000280414515 386811400 /nfs/dbraw/zinc/81/14/00/386811400.db2.gz IGJQKRXMEWYNCR-CYBMUJFWSA-N 0 3 243.354 3.220 20 0 BGADHN Cc1ccc([C@H](C)N(C)Cc2cnc[nH]2)c(C)c1 ZINC000280414518 386810631 /nfs/dbraw/zinc/81/06/31/386810631.db2.gz IGJQKRXMEWYNCR-ZDUSSCGKSA-N 0 3 243.354 3.220 20 0 BGADHN CC(C)n1nccc1CNCCC1=CCCC1 ZINC000280440132 385310500 /nfs/dbraw/zinc/31/05/00/385310500.db2.gz YCBANJSRXSUTCH-UHFFFAOYSA-N 0 3 233.359 3.054 20 0 BGADHN CC1=C(C)CN([C@H](C)c2ccccn2)CC1 ZINC000280510532 168086986 /nfs/dbraw/zinc/08/69/86/168086986.db2.gz CYUFEVBXDWUPET-CYBMUJFWSA-N 0 3 216.328 3.185 20 0 BGADHN CC1=C(C)CN([C@@H](C)c2ccccn2)CC1 ZINC000280510536 168085346 /nfs/dbraw/zinc/08/53/46/168085346.db2.gz CYUFEVBXDWUPET-ZDUSSCGKSA-N 0 3 216.328 3.185 20 0 BGADHN CC1=CCCN(Cc2ccc3ncccc3c2)C1 ZINC000280535916 168099485 /nfs/dbraw/zinc/09/94/85/168099485.db2.gz AIOLEICBXMIBNI-UHFFFAOYSA-N 0 3 238.334 3.387 20 0 BGADHN CSc1ccc(CCNCc2ccco2)cc1 ZINC000280541145 386823097 /nfs/dbraw/zinc/82/30/97/386823097.db2.gz CWHYDVBSSABRDS-UHFFFAOYSA-N 0 3 247.363 3.334 20 0 BGADHN CC[C@@H](c1ccccc1)N(CC)Cc1cnc[nH]1 ZINC000280580609 351851558 /nfs/dbraw/zinc/85/15/58/351851558.db2.gz WUIAOWNRYAFAEW-HNNXBMFYSA-N 0 3 243.354 3.383 20 0 BGADHN CC[C@H](c1ccccc1)N(CC)Cc1cnc[nH]1 ZINC000280580611 386825838 /nfs/dbraw/zinc/82/58/38/386825838.db2.gz WUIAOWNRYAFAEW-OAHLLOKOSA-N 0 3 243.354 3.383 20 0 BGADHN CSc1ccccc1CN(C)CCCF ZINC000280590779 386825401 /nfs/dbraw/zinc/82/54/01/386825401.db2.gz WOXFWKUUJVIGOE-UHFFFAOYSA-N 0 3 227.348 3.200 20 0 BGADHN C[C@H](c1ccccc1)N(Cc1cnc[nH]1)C1CC1 ZINC000280597885 177039136 /nfs/dbraw/zinc/03/91/36/177039136.db2.gz YEZBYXLCTIAFTM-GFCCVEGCSA-N 0 3 241.338 3.135 20 0 BGADHN C[C@@H](c1ccccc1)N(Cc1cnc[nH]1)C1CC1 ZINC000280597886 176020073 /nfs/dbraw/zinc/02/00/73/176020073.db2.gz YEZBYXLCTIAFTM-LBPRGKRZSA-N 0 3 241.338 3.135 20 0 BGADHN Fc1cccc([C@H]2C[C@H](NCc3ccco3)C2)c1 ZINC000280609676 181003964 /nfs/dbraw/zinc/00/39/64/181003964.db2.gz KASCCKZGEJRMMK-MQMHXKEQSA-N 0 3 245.297 3.455 20 0 BGADHN Fc1ccccc1[C@H]1C[C@H](NCc2ccco2)C1 ZINC000280621736 386829216 /nfs/dbraw/zinc/82/92/16/386829216.db2.gz LBPIFUMIOQDDSL-HAQNSBGRSA-N 0 3 245.297 3.455 20 0 BGADHN CCC[C@H](CNCCF)c1ccccc1 ZINC000280626227 385344556 /nfs/dbraw/zinc/34/45/56/385344556.db2.gz GNCGNJBWZZJWHG-CYBMUJFWSA-N 0 3 209.308 3.129 20 0 BGADHN CCC[C@@H](CNCCF)c1ccccc1 ZINC000280626228 169384987 /nfs/dbraw/zinc/38/49/87/169384987.db2.gz GNCGNJBWZZJWHG-ZDUSSCGKSA-N 0 3 209.308 3.129 20 0 BGADHN C[C@H](CNCCF)c1cccc(Cl)c1 ZINC000280630735 385343860 /nfs/dbraw/zinc/34/38/60/385343860.db2.gz GYOUFZZKHDIELF-SECBINFHSA-N 0 3 215.699 3.003 20 0 BGADHN C[C@@H](CNCCF)c1cccc(Cl)c1 ZINC000280630737 385344804 /nfs/dbraw/zinc/34/48/04/385344804.db2.gz GYOUFZZKHDIELF-VIFPVBQESA-N 0 3 215.699 3.003 20 0 BGADHN c1ccc([C@H]2C[C@H](NCc3ccccn3)C2)cc1 ZINC000280630917 386832132 /nfs/dbraw/zinc/83/21/32/386832132.db2.gz LZNLTOSYKIRYEB-KOMQPUFPSA-N 0 3 238.334 3.117 20 0 BGADHN c1coc(CN[C@@H]2C[C@@H](c3ccccc3)C2)c1 ZINC000280649073 386830777 /nfs/dbraw/zinc/83/07/77/386830777.db2.gz OBDASQHMLLICFB-HDJSIYSDSA-N 0 3 227.307 3.315 20 0 BGADHN Cc1ncsc1CCN1CCC(C)=C(C)C1 ZINC000280676968 168083935 /nfs/dbraw/zinc/08/39/35/168083935.db2.gz GITYQIFYDTWXPX-UHFFFAOYSA-N 0 3 236.384 3.036 20 0 BGADHN CC1=CCCN(CCC(=O)c2ccc(F)cc2)C1 ZINC000280691444 168098423 /nfs/dbraw/zinc/09/84/23/168098423.db2.gz BFRWYHTYPFDXGD-UHFFFAOYSA-N 0 3 247.313 3.051 20 0 BGADHN CCc1noc(C)c1CN1CCC(C)=C(C)C1 ZINC000280719074 172075231 /nfs/dbraw/zinc/07/52/31/172075231.db2.gz KAYIFYXABNEMRO-UHFFFAOYSA-N 0 3 234.343 3.088 20 0 BGADHN Cc1nc(CCN2CCC(C)=C(C)C2)cs1 ZINC000280738512 168084172 /nfs/dbraw/zinc/08/41/72/168084172.db2.gz MCGMPDQZFFTZED-UHFFFAOYSA-N 0 3 236.384 3.036 20 0 BGADHN CC1(CCNCc2cccnc2Cl)CC1 ZINC000280739090 168020286 /nfs/dbraw/zinc/02/02/86/168020286.db2.gz ZLKZZZDEXPPUSB-UHFFFAOYSA-N 0 3 224.735 3.015 20 0 BGADHN c1ncc(CN[C@@H]2C[C@@H](c3ccccc3)C2)s1 ZINC000280763744 385600613 /nfs/dbraw/zinc/60/06/13/385600613.db2.gz YVWQVFJYBMBEGI-JOCQHMNTSA-N 0 3 244.363 3.179 20 0 BGADHN CC[C@H](NCc1cnccc1C)c1ccncc1 ZINC000280773328 385601976 /nfs/dbraw/zinc/60/19/76/385601976.db2.gz FGMWTXHEKAOEOS-HNNXBMFYSA-N 0 3 241.338 3.026 20 0 BGADHN CC[C@@H](NCc1cnccc1C)c1ccncc1 ZINC000280773331 351860217 /nfs/dbraw/zinc/86/02/17/351860217.db2.gz FGMWTXHEKAOEOS-OAHLLOKOSA-N 0 3 241.338 3.026 20 0 BGADHN CC(C)=CCN[C@H](c1cccnc1)C1CCC1 ZINC000280789864 385604110 /nfs/dbraw/zinc/60/41/10/385604110.db2.gz HLGMOCRBOUIRRA-HNNXBMFYSA-N 0 3 230.355 3.479 20 0 BGADHN CC(C)=CCN[C@@H](c1cccnc1)C1CCC1 ZINC000280789870 188383540 /nfs/dbraw/zinc/38/35/40/188383540.db2.gz HLGMOCRBOUIRRA-OAHLLOKOSA-N 0 3 230.355 3.479 20 0 BGADHN Cc1nc(C)c(CN2CCC(C)=C(C)C2)s1 ZINC000280802294 168084589 /nfs/dbraw/zinc/08/45/89/168084589.db2.gz IMYADTYTJIXRLI-UHFFFAOYSA-N 0 3 236.384 3.302 20 0 BGADHN CC1=C(C)CN([C@H](C)c2cccnc2)CC1 ZINC000280857660 168086600 /nfs/dbraw/zinc/08/66/00/168086600.db2.gz YNJKBTKGJNSLAX-CYBMUJFWSA-N 0 3 216.328 3.185 20 0 BGADHN CC1=C(C)CN([C@@H](C)c2cccnc2)CC1 ZINC000280857663 168085173 /nfs/dbraw/zinc/08/51/73/168085173.db2.gz YNJKBTKGJNSLAX-ZDUSSCGKSA-N 0 3 216.328 3.185 20 0 BGADHN C[C@H](Cc1ccccc1C(F)(F)F)NCCF ZINC000280884275 385614131 /nfs/dbraw/zinc/61/41/31/385614131.db2.gz BBGFYCCAMUARTG-SECBINFHSA-N 0 3 249.251 3.196 20 0 BGADHN C[C@@H](Cc1ccccc1C(F)(F)F)NCCF ZINC000280884278 385614576 /nfs/dbraw/zinc/61/45/76/385614576.db2.gz BBGFYCCAMUARTG-VIFPVBQESA-N 0 3 249.251 3.196 20 0 BGADHN C[C@H](CC(C)(C)c1ccccc1)NCCF ZINC000280896357 385615298 /nfs/dbraw/zinc/61/52/98/385615298.db2.gz BVLYAZWHNWRNKS-GFCCVEGCSA-N 0 3 223.335 3.302 20 0 BGADHN C[C@@H](CC(C)(C)c1ccccc1)NCCF ZINC000280896359 385614558 /nfs/dbraw/zinc/61/45/58/385614558.db2.gz BVLYAZWHNWRNKS-LBPRGKRZSA-N 0 3 223.335 3.302 20 0 BGADHN CCn1nc(C)c(CN2CCC(C)=C(C)C2)c1C ZINC000280904513 172245959 /nfs/dbraw/zinc/24/59/59/172245959.db2.gz PXKWNHAARHCCAS-UHFFFAOYSA-N 0 3 247.386 3.062 20 0 BGADHN FCCN[C@@H]1CCCCc2ccccc21 ZINC000280905617 385381869 /nfs/dbraw/zinc/38/18/69/385381869.db2.gz CNVYDTWGXSJFHL-CYBMUJFWSA-N 0 3 207.292 3.013 20 0 BGADHN FCCN[C@H]1CCCCc2ccccc21 ZINC000280905620 385382711 /nfs/dbraw/zinc/38/27/11/385382711.db2.gz CNVYDTWGXSJFHL-ZDUSSCGKSA-N 0 3 207.292 3.013 20 0 BGADHN FCCN[C@@H]1CCCc2c(Cl)cccc21 ZINC000280907806 385382652 /nfs/dbraw/zinc/38/26/52/385382652.db2.gz CTNBWGYINBJXOI-GFCCVEGCSA-N 0 3 227.710 3.277 20 0 BGADHN FCCN[C@H]1CCCc2c(Cl)cccc21 ZINC000280907817 180933864 /nfs/dbraw/zinc/93/38/64/180933864.db2.gz CTNBWGYINBJXOI-LBPRGKRZSA-N 0 3 227.710 3.277 20 0 BGADHN CC1=CCCN(Cc2cccc3cccnc32)C1 ZINC000280919904 168100461 /nfs/dbraw/zinc/10/04/61/168100461.db2.gz UAFRPJIKJWRNIU-UHFFFAOYSA-N 0 3 238.334 3.387 20 0 BGADHN Cc1cc(C)c([C@@H](C)NCCF)cc1C ZINC000280927938 385384187 /nfs/dbraw/zinc/38/41/87/385384187.db2.gz FEBYVMZXMKLIBX-GFCCVEGCSA-N 0 3 209.308 3.232 20 0 BGADHN Cc1cc(C)c([C@H](C)NCCF)cc1C ZINC000280927944 385384849 /nfs/dbraw/zinc/38/48/49/385384849.db2.gz FEBYVMZXMKLIBX-LBPRGKRZSA-N 0 3 209.308 3.232 20 0 BGADHN COc1ccc([C@@H](C)NCCF)c2ccccc12 ZINC000280932113 175176591 /nfs/dbraw/zinc/17/65/91/175176591.db2.gz FNLZGAIKIKLIKT-LLVKDONJSA-N 0 3 247.313 3.469 20 0 BGADHN COc1ccc([C@H](C)NCCF)c2ccccc12 ZINC000280932118 175188805 /nfs/dbraw/zinc/18/88/05/175188805.db2.gz FNLZGAIKIKLIKT-NSHDSACASA-N 0 3 247.313 3.469 20 0 BGADHN CC1(C)[C@H](NCCF)C[C@@H]1c1ccccc1 ZINC000280938446 168005035 /nfs/dbraw/zinc/00/50/35/168005035.db2.gz FZEDHBPFDCMEJG-CHWSQXEVSA-N 0 3 221.319 3.128 20 0 BGADHN CC1(C)[C@@H](c2ccccc2)C[C@@H]1NCCF ZINC000280938448 346344161 /nfs/dbraw/zinc/34/41/61/346344161.db2.gz FZEDHBPFDCMEJG-OLZOCXBDSA-N 0 3 221.319 3.128 20 0 BGADHN CC1(C)[C@H](NCCF)C[C@H]1c1ccccc1 ZINC000280938452 168010077 /nfs/dbraw/zinc/01/00/77/168010077.db2.gz FZEDHBPFDCMEJG-QWHCGFSZSA-N 0 3 221.319 3.128 20 0 BGADHN CC1(C)[C@@H](NCCF)C[C@H]1c1ccccc1 ZINC000280938457 346344202 /nfs/dbraw/zinc/34/42/02/346344202.db2.gz FZEDHBPFDCMEJG-STQMWFEESA-N 0 3 221.319 3.128 20 0 BGADHN Cc1cccc2c1[C@@H](C)C[C@H]2NCCF ZINC000280938793 179221871 /nfs/dbraw/zinc/22/18/71/179221871.db2.gz GCOZNVXDLFEONY-CMPLNLGQSA-N 0 3 207.292 3.102 20 0 BGADHN Cc1cccc2c1[C@@H](C)C[C@@H]2NCCF ZINC000280938798 179222179 /nfs/dbraw/zinc/22/21/79/179222179.db2.gz GCOZNVXDLFEONY-JQWIXIFHSA-N 0 3 207.292 3.102 20 0 BGADHN Cc1cccc2c1[C@H](C)C[C@@H]2NCCF ZINC000280938802 179224661 /nfs/dbraw/zinc/22/46/61/179224661.db2.gz GCOZNVXDLFEONY-PWSUYJOCSA-N 0 3 207.292 3.102 20 0 BGADHN Cc1cccc2c1[C@H](C)C[C@H]2NCCF ZINC000280938807 179223882 /nfs/dbraw/zinc/22/38/82/179223882.db2.gz GCOZNVXDLFEONY-ZYHUDNBSSA-N 0 3 207.292 3.102 20 0 BGADHN Cc1ccncc1CNCCSC(C)(C)C ZINC000280991942 385625723 /nfs/dbraw/zinc/62/57/23/385625723.db2.gz VCQHAMYFVLGXIH-UHFFFAOYSA-N 0 3 238.400 3.011 20 0 BGADHN CC1=C(C)CN(Cc2ccc3c[nH]nc3c2)CC1 ZINC000281008536 168085111 /nfs/dbraw/zinc/08/51/11/168085111.db2.gz YIVAXMCCVYJQDB-UHFFFAOYSA-N 0 3 241.338 3.105 20 0 BGADHN CC1=C(C)CN(Cc2cnn(CC(C)C)c2)CC1 ZINC000281010339 168084222 /nfs/dbraw/zinc/08/42/22/168084222.db2.gz YMZSZIDRASKPAV-UHFFFAOYSA-N 0 3 247.386 3.081 20 0 BGADHN C[C@@H](NC[C@H]1CCC(F)(F)C1)c1cscn1 ZINC000281038439 385388371 /nfs/dbraw/zinc/38/83/71/385388371.db2.gz GOOONMPBXYJYJA-BDAKNGLRSA-N 0 3 246.326 3.229 20 0 BGADHN C[C@H](NC[C@@H]1CCC(F)(F)C1)c1cscn1 ZINC000281038441 385388290 /nfs/dbraw/zinc/38/82/90/385388290.db2.gz GOOONMPBXYJYJA-DTWKUNHWSA-N 0 3 246.326 3.229 20 0 BGADHN C[C@H](NC[C@H]1CCC(F)(F)C1)c1cscn1 ZINC000281038443 385387431 /nfs/dbraw/zinc/38/74/31/385387431.db2.gz GOOONMPBXYJYJA-IUCAKERBSA-N 0 3 246.326 3.229 20 0 BGADHN C[C@@H](NC[C@@H]1CCC(F)(F)C1)c1cscn1 ZINC000281038445 385387609 /nfs/dbraw/zinc/38/76/09/385387609.db2.gz GOOONMPBXYJYJA-RKDXNWHRSA-N 0 3 246.326 3.229 20 0 BGADHN C[C@@H](NCCF)[C@@H](C)c1ccc(Cl)cc1 ZINC000281039255 176014291 /nfs/dbraw/zinc/01/42/91/176014291.db2.gz NSSJOWVSRHPROM-NXEZZACHSA-N 0 3 229.726 3.391 20 0 BGADHN C[C@H](c1ccc(Cl)cc1)[C@H](C)NCCF ZINC000281039257 385387510 /nfs/dbraw/zinc/38/75/10/385387510.db2.gz NSSJOWVSRHPROM-UWVGGRQHSA-N 0 3 229.726 3.391 20 0 BGADHN C[C@@H](NCCF)[C@H](C)c1ccc(Cl)cc1 ZINC000281039258 385387450 /nfs/dbraw/zinc/38/74/50/385387450.db2.gz NSSJOWVSRHPROM-VHSXEESVSA-N 0 3 229.726 3.391 20 0 BGADHN C[C@H](NCCF)[C@@H](C)c1ccc(Cl)cc1 ZINC000281039260 385387886 /nfs/dbraw/zinc/38/78/86/385387886.db2.gz NSSJOWVSRHPROM-ZJUUUORDSA-N 0 3 229.726 3.391 20 0 BGADHN C[C@H](Cc1ccc(C(F)(F)F)cc1)NCCF ZINC000281072953 385633523 /nfs/dbraw/zinc/63/35/23/385633523.db2.gz OJFVPJSQOMDONP-SECBINFHSA-N 0 3 249.251 3.196 20 0 BGADHN C[C@@H](Cc1ccc(C(F)(F)F)cc1)NCCF ZINC000281072955 385632354 /nfs/dbraw/zinc/63/23/54/385632354.db2.gz OJFVPJSQOMDONP-VIFPVBQESA-N 0 3 249.251 3.196 20 0 BGADHN C[C@@H](NC[C@H]1CCC(F)(F)C1)c1nccs1 ZINC000281082394 188383449 /nfs/dbraw/zinc/38/34/49/188383449.db2.gz JJKVLLSMYZWLLW-BDAKNGLRSA-N 0 3 246.326 3.229 20 0 BGADHN C[C@H](NC[C@@H]1CCC(F)(F)C1)c1nccs1 ZINC000281082395 385631925 /nfs/dbraw/zinc/63/19/25/385631925.db2.gz JJKVLLSMYZWLLW-DTWKUNHWSA-N 0 3 246.326 3.229 20 0 BGADHN C[C@H](NC[C@H]1CCC(F)(F)C1)c1nccs1 ZINC000281082396 385633512 /nfs/dbraw/zinc/63/35/12/385633512.db2.gz JJKVLLSMYZWLLW-IUCAKERBSA-N 0 3 246.326 3.229 20 0 BGADHN C[C@@H](NC[C@@H]1CCC(F)(F)C1)c1nccs1 ZINC000281082398 385632778 /nfs/dbraw/zinc/63/27/78/385632778.db2.gz JJKVLLSMYZWLLW-RKDXNWHRSA-N 0 3 246.326 3.229 20 0 BGADHN C[C@@H](NC1(c2ccccc2)CCC1)c1cn[nH]c1 ZINC000281083328 385632637 /nfs/dbraw/zinc/63/26/37/385632637.db2.gz USWCQOWNRIHAIX-GFCCVEGCSA-N 0 3 241.338 3.140 20 0 BGADHN C[C@H](NC1(c2ccccc2)CCC1)c1cn[nH]c1 ZINC000281083329 385633229 /nfs/dbraw/zinc/63/32/29/385633229.db2.gz USWCQOWNRIHAIX-LBPRGKRZSA-N 0 3 241.338 3.140 20 0 BGADHN C[C@H]1CC[C@H](NCCF)c2ccccc21 ZINC000281133403 177204868 /nfs/dbraw/zinc/20/48/68/177204868.db2.gz TYEORWAUGPCUCT-GWCFXTLKSA-N 0 3 207.292 3.184 20 0 BGADHN C[C@H]1CC[C@@H](NCCF)c2ccccc21 ZINC000281133410 177193496 /nfs/dbraw/zinc/19/34/96/177193496.db2.gz TYEORWAUGPCUCT-GXFFZTMASA-N 0 3 207.292 3.184 20 0 BGADHN C[C@@H]1CC[C@H](NCCF)c2ccccc21 ZINC000281133413 176232771 /nfs/dbraw/zinc/23/27/71/176232771.db2.gz TYEORWAUGPCUCT-MFKMUULPSA-N 0 3 207.292 3.184 20 0 BGADHN C[C@@H]1CC[C@@H](NCCF)c2ccccc21 ZINC000281133420 176212434 /nfs/dbraw/zinc/21/24/34/176212434.db2.gz TYEORWAUGPCUCT-ZWNOBZJWSA-N 0 3 207.292 3.184 20 0 BGADHN C[C@]1(c2ccccc2)CC[C@H](NCCF)C1 ZINC000281135451 385400984 /nfs/dbraw/zinc/40/09/84/385400984.db2.gz UCRSLCYGZSRGLO-KBPBESRZSA-N 0 3 221.319 3.056 20 0 BGADHN C[C@]1(c2ccccc2)CC[C@@H](NCCF)C1 ZINC000281135454 385401054 /nfs/dbraw/zinc/40/10/54/385401054.db2.gz UCRSLCYGZSRGLO-KGLIPLIRSA-N 0 3 221.319 3.056 20 0 BGADHN C[C@@]1(c2ccccc2)CC[C@H](NCCF)C1 ZINC000281135457 385401424 /nfs/dbraw/zinc/40/14/24/385401424.db2.gz UCRSLCYGZSRGLO-UONOGXRCSA-N 0 3 221.319 3.056 20 0 BGADHN C[C@@]1(c2ccccc2)CC[C@@H](NCCF)C1 ZINC000281135460 385401231 /nfs/dbraw/zinc/40/12/31/385401231.db2.gz UCRSLCYGZSRGLO-ZIAGYGMSSA-N 0 3 221.319 3.056 20 0 BGADHN C[C@@H](NCCF)c1cccc(-c2ccncc2)c1 ZINC000281137394 385637594 /nfs/dbraw/zinc/63/75/94/385637594.db2.gz UJJQCWYWXKRGAG-GFCCVEGCSA-N 0 3 244.313 3.369 20 0 BGADHN C[C@H](NCCF)c1cccc(-c2ccncc2)c1 ZINC000281137396 385638246 /nfs/dbraw/zinc/63/82/46/385638246.db2.gz UJJQCWYWXKRGAG-LBPRGKRZSA-N 0 3 244.313 3.369 20 0 BGADHN CC[C@@H]1CN(Cc2ccc(C)s2)CCCO1 ZINC000281142998 171088128 /nfs/dbraw/zinc/08/81/28/171088128.db2.gz DWELSDOOVKWLLM-GFCCVEGCSA-N 0 3 239.384 3.057 20 0 BGADHN CC[C@H]1CN(Cc2ccc(C)s2)CCCO1 ZINC000281143002 385638012 /nfs/dbraw/zinc/63/80/12/385638012.db2.gz DWELSDOOVKWLLM-LBPRGKRZSA-N 0 3 239.384 3.057 20 0 BGADHN CCC[C@@H](NCCF)c1ccc(OC)cc1 ZINC000281166589 385404439 /nfs/dbraw/zinc/40/44/39/385404439.db2.gz VZYCFFFFBRQFRL-CYBMUJFWSA-N 0 3 225.307 3.096 20 0 BGADHN CCC[C@H](NCCF)c1ccc(OC)cc1 ZINC000281166598 385404148 /nfs/dbraw/zinc/40/41/48/385404148.db2.gz VZYCFFFFBRQFRL-ZDUSSCGKSA-N 0 3 225.307 3.096 20 0 BGADHN Cc1nn(C(C)C)cc1CN1CCC(C)=C(C)C1 ZINC000281190362 168085496 /nfs/dbraw/zinc/08/54/96/168085496.db2.gz IICVCTXRJGFJSA-UHFFFAOYSA-N 0 3 247.386 3.315 20 0 BGADHN CC[C@H]1CN(C/C=C/c2ccccc2)CCCO1 ZINC000281192314 385642982 /nfs/dbraw/zinc/64/29/82/385642982.db2.gz ILJRADXAFZXCIX-DHINHOHASA-N 0 3 245.366 3.201 20 0 BGADHN CC[C@@H]1CN(C/C=C/c2ccccc2)CCCO1 ZINC000281192318 171074667 /nfs/dbraw/zinc/07/46/67/171074667.db2.gz ILJRADXAFZXCIX-VGZDNEPHSA-N 0 3 245.366 3.201 20 0 BGADHN CC/C=C/CCN1CCCC[C@@H]1c1ccnn1C ZINC000281222005 385646484 /nfs/dbraw/zinc/64/64/84/385646484.db2.gz BSFIFZKTSNAJJJ-MBVDDHJVSA-N 0 3 247.386 3.303 20 0 BGADHN CC/C=C/CCN1CCCC[C@H]1c1ccnn1C ZINC000281222006 385647516 /nfs/dbraw/zinc/64/75/16/385647516.db2.gz BSFIFZKTSNAJJJ-RGDDUWESSA-N 0 3 247.386 3.303 20 0 BGADHN Cc1ccc([C@@H](NCCF)C2CC2)cc1 ZINC000281225839 178863760 /nfs/dbraw/zinc/86/37/60/178863760.db2.gz ZUQHPOUUIDYBRD-CYBMUJFWSA-N 0 3 207.292 3.005 20 0 BGADHN Cc1ccc([C@H](NCCF)C2CC2)cc1 ZINC000281225843 385416312 /nfs/dbraw/zinc/41/63/12/385416312.db2.gz ZUQHPOUUIDYBRD-ZDUSSCGKSA-N 0 3 207.292 3.005 20 0 BGADHN C[C@@H](NC[C@@H]1CCC(F)(F)C1)c1ccco1 ZINC000281256413 385649485 /nfs/dbraw/zinc/64/94/85/385649485.db2.gz XTBFUCRGKFJVEF-NXEZZACHSA-N 0 3 229.270 3.366 20 0 BGADHN C[C@H](NC[C@H]1CCC(F)(F)C1)c1ccco1 ZINC000281256418 385650223 /nfs/dbraw/zinc/65/02/23/385650223.db2.gz XTBFUCRGKFJVEF-UWVGGRQHSA-N 0 3 229.270 3.366 20 0 BGADHN C[C@H](NC[C@@H]1CCC(F)(F)C1)c1ccco1 ZINC000281256424 385650616 /nfs/dbraw/zinc/65/06/16/385650616.db2.gz XTBFUCRGKFJVEF-VHSXEESVSA-N 0 3 229.270 3.366 20 0 BGADHN C[C@@H](NC[C@H]1CCC(F)(F)C1)c1ccco1 ZINC000281256430 188383765 /nfs/dbraw/zinc/38/37/65/188383765.db2.gz XTBFUCRGKFJVEF-ZJUUUORDSA-N 0 3 229.270 3.366 20 0 BGADHN CC(C)=CCCNCc1cn(C(C)C)nc1C ZINC000281286738 187342695 /nfs/dbraw/zinc/34/26/95/187342695.db2.gz IHEQXJKYWVJQIR-UHFFFAOYSA-N 0 3 235.375 3.218 20 0 BGADHN CC[C@@H]1CN(Cc2sccc2C)CCCO1 ZINC000281304378 171093616 /nfs/dbraw/zinc/09/36/16/171093616.db2.gz PYCVYUKTQRAFPL-GFCCVEGCSA-N 0 3 239.384 3.057 20 0 BGADHN CC[C@H]1CN(Cc2sccc2C)CCCO1 ZINC000281304380 385656198 /nfs/dbraw/zinc/65/61/98/385656198.db2.gz PYCVYUKTQRAFPL-LBPRGKRZSA-N 0 3 239.384 3.057 20 0 BGADHN CCc1ccc(CN(C)CCCSC)o1 ZINC000281324196 385659485 /nfs/dbraw/zinc/65/94/85/385659485.db2.gz RMISBXXJGVIHCO-UHFFFAOYSA-N 0 3 227.373 3.027 20 0 BGADHN C[C@@H](NC1CCC1)c1ccnn1-c1ccccc1 ZINC000281500168 538938980 /nfs/dbraw/zinc/93/89/80/538938980.db2.gz GRGCGXFRWZRYLO-GFCCVEGCSA-N 0 3 241.338 3.075 20 0 BGADHN C[C@H](NC1CCC1)c1ccnn1-c1ccccc1 ZINC000281500170 538939212 /nfs/dbraw/zinc/93/92/12/538939212.db2.gz GRGCGXFRWZRYLO-LBPRGKRZSA-N 0 3 241.338 3.075 20 0 BGADHN Cn1nccc1[C@H]1CCCCN1[C@H]1C=CCCC1 ZINC000281529883 385679944 /nfs/dbraw/zinc/67/99/44/385679944.db2.gz WDHPVTLDRHVBOF-DZGCQCFKSA-N 0 3 245.370 3.056 20 0 BGADHN Cn1nccc1[C@@H]1CCCCN1[C@@H]1C=CCCC1 ZINC000281529887 385678973 /nfs/dbraw/zinc/67/89/73/385678973.db2.gz WDHPVTLDRHVBOF-HIFRSBDPSA-N 0 3 245.370 3.056 20 0 BGADHN Cn1nccc1[C@H]1CCCCN1[C@@H]1C=CCCC1 ZINC000281529888 385679199 /nfs/dbraw/zinc/67/91/99/385679199.db2.gz WDHPVTLDRHVBOF-UKRRQHHQSA-N 0 3 245.370 3.056 20 0 BGADHN Cn1nccc1[C@@H]1CCCCN1[C@H]1C=CCCC1 ZINC000281529891 385678541 /nfs/dbraw/zinc/67/85/41/385678541.db2.gz WDHPVTLDRHVBOF-ZFWWWQNUSA-N 0 3 245.370 3.056 20 0 BGADHN COC[C@@H](C)N[C@@H](C)c1ccccc1SC ZINC000281560500 385437766 /nfs/dbraw/zinc/43/77/66/385437766.db2.gz BUPZYFOQGINMFJ-MNOVXSKESA-N 0 3 239.384 3.094 20 0 BGADHN COC[C@H](C)N[C@@H](C)c1ccccc1SC ZINC000281560502 385438417 /nfs/dbraw/zinc/43/84/17/385438417.db2.gz BUPZYFOQGINMFJ-QWRGUYRKSA-N 0 3 239.384 3.094 20 0 BGADHN CC1(C)C[C@H]1N[C@@H](c1cncc(F)c1)C1CC1 ZINC000281563301 188032246 /nfs/dbraw/zinc/03/22/46/188032246.db2.gz JXRINGLCETXAIB-CHWSQXEVSA-N 0 3 234.318 3.060 20 0 BGADHN CC1(C)C[C@H]1N[C@H](c1cncc(F)c1)C1CC1 ZINC000281563305 385682195 /nfs/dbraw/zinc/68/21/95/385682195.db2.gz JXRINGLCETXAIB-OLZOCXBDSA-N 0 3 234.318 3.060 20 0 BGADHN CC1(C)C[C@@H]1N[C@@H](c1cncc(F)c1)C1CC1 ZINC000281563307 188032744 /nfs/dbraw/zinc/03/27/44/188032744.db2.gz JXRINGLCETXAIB-QWHCGFSZSA-N 0 3 234.318 3.060 20 0 BGADHN CC1(C)C[C@@H]1N[C@H](c1cncc(F)c1)C1CC1 ZINC000281563311 188206263 /nfs/dbraw/zinc/20/62/63/188206263.db2.gz JXRINGLCETXAIB-STQMWFEESA-N 0 3 234.318 3.060 20 0 BGADHN CO[C@@H]1CCN(C/C=C/c2ccccc2)[C@@H](C)C1 ZINC000281663098 398060935 /nfs/dbraw/zinc/06/09/35/398060935.db2.gz KXXROLWTGLLQOT-BILQUBDUSA-N 0 3 245.366 3.199 20 0 BGADHN CO[C@@H]1CCN(C/C=C/c2ccccc2)[C@H](C)C1 ZINC000281663101 398060810 /nfs/dbraw/zinc/06/08/10/398060810.db2.gz KXXROLWTGLLQOT-FPTQRPOBSA-N 0 3 245.366 3.199 20 0 BGADHN CO[C@H]1CCN(C/C=C/c2ccccc2)[C@@H](C)C1 ZINC000281663102 398060880 /nfs/dbraw/zinc/06/08/80/398060880.db2.gz KXXROLWTGLLQOT-IVRLUWICSA-N 0 3 245.366 3.199 20 0 BGADHN CO[C@H]1CCN(C/C=C/c2ccccc2)[C@H](C)C1 ZINC000281663104 398060889 /nfs/dbraw/zinc/06/08/89/398060889.db2.gz KXXROLWTGLLQOT-NZJBMZQBSA-N 0 3 245.366 3.199 20 0 BGADHN Cc1ccc(CNC[C@H]2CCC(F)(F)C2)o1 ZINC000281677643 385692594 /nfs/dbraw/zinc/69/25/94/385692594.db2.gz OJOHFYQGSIBZPK-JTQLQIEISA-N 0 3 229.270 3.113 20 0 BGADHN Cc1ccc(CNC[C@@H]2CCC(F)(F)C2)o1 ZINC000281677645 178610264 /nfs/dbraw/zinc/61/02/64/178610264.db2.gz OJOHFYQGSIBZPK-SNVBAGLBSA-N 0 3 229.270 3.113 20 0 BGADHN CCc1ccc(CNC[C@H]2CCC(F)(F)C2)o1 ZINC000281719529 385696476 /nfs/dbraw/zinc/69/64/76/385696476.db2.gz QLQJFZYGRRSGMV-JTQLQIEISA-N 0 3 243.297 3.367 20 0 BGADHN CCc1ccc(CNC[C@@H]2CCC(F)(F)C2)o1 ZINC000281719532 385696985 /nfs/dbraw/zinc/69/69/85/385696985.db2.gz QLQJFZYGRRSGMV-SNVBAGLBSA-N 0 3 243.297 3.367 20 0 BGADHN CCCn1nc(C)c(CN2CCC=C(C)C2)c1C ZINC000281725731 385696426 /nfs/dbraw/zinc/69/64/26/385696426.db2.gz FOBLSFZDEVDSEO-UHFFFAOYSA-N 0 3 247.386 3.062 20 0 BGADHN CSCCN[C@@H](C)c1ccccc1SC ZINC000281735975 385444939 /nfs/dbraw/zinc/44/49/39/385444939.db2.gz QCTGWXBMJLRHEZ-JTQLQIEISA-N 0 3 241.425 3.422 20 0 BGADHN CC(C)=CCN[C@H](c1cncc(F)c1)C1CC1 ZINC000281736940 188206095 /nfs/dbraw/zinc/20/60/95/188206095.db2.gz VFFQRWPRCQGATP-AWEZNQCLSA-N 0 3 234.318 3.228 20 0 BGADHN CC(C)=CCN[C@@H](c1cncc(F)c1)C1CC1 ZINC000281736945 385697901 /nfs/dbraw/zinc/69/79/01/385697901.db2.gz VFFQRWPRCQGATP-CQSZACIVSA-N 0 3 234.318 3.228 20 0 BGADHN C[C@H](Cc1cccc(C(F)(F)F)c1)NCCF ZINC000281747962 398063326 /nfs/dbraw/zinc/06/33/26/398063326.db2.gz VWFTXBQOXGEASH-SECBINFHSA-N 0 3 249.251 3.196 20 0 BGADHN C[C@@H](Cc1cccc(C(F)(F)F)c1)NCCF ZINC000281747964 398062760 /nfs/dbraw/zinc/06/27/60/398062760.db2.gz VWFTXBQOXGEASH-VIFPVBQESA-N 0 3 249.251 3.196 20 0 BGADHN CC1=CCCN(CC2=Cc3ccccc3OC2)C1 ZINC000281782186 168098032 /nfs/dbraw/zinc/09/80/32/168098032.db2.gz KOPDQYZNAXVZEY-UHFFFAOYSA-N 0 3 241.334 3.114 20 0 BGADHN CC1=CCCN(Cc2cnc3ccccc3c2)C1 ZINC000281825818 168099229 /nfs/dbraw/zinc/09/92/29/168099229.db2.gz PJFLXBFBVAIATJ-UHFFFAOYSA-N 0 3 238.334 3.387 20 0 BGADHN FC(F)C1CCC(NCc2ccco2)CC1 ZINC000281869176 385454650 /nfs/dbraw/zinc/45/46/50/385454650.db2.gz FCQHPOGDNWUVKB-UHFFFAOYSA-N 0 3 229.270 3.193 20 0 BGADHN FC(F)C1CCC(NCc2nccs2)CC1 ZINC000281908170 385458603 /nfs/dbraw/zinc/45/86/03/385458603.db2.gz IMNKSQYLWGLOSJ-UHFFFAOYSA-N 0 3 246.326 3.057 20 0 BGADHN COc1ccc(F)cc1CN[C@H]1CCC12CCC2 ZINC000281929065 175130736 /nfs/dbraw/zinc/13/07/36/175130736.db2.gz AXDPSLQXVVGAIE-AWEZNQCLSA-N 0 3 249.329 3.257 20 0 BGADHN COc1ccc(F)cc1CN[C@@H]1CCC12CCC2 ZINC000281929068 175129563 /nfs/dbraw/zinc/12/95/63/175129563.db2.gz AXDPSLQXVVGAIE-CQSZACIVSA-N 0 3 249.329 3.257 20 0 BGADHN CCC(CC)NCc1cc(C)cc(Cl)n1 ZINC000281941473 168389599 /nfs/dbraw/zinc/38/95/99/168389599.db2.gz BNFBQSBUEKVEOH-UHFFFAOYSA-N 0 3 226.751 3.322 20 0 BGADHN COCCCCCN[C@H](C)c1cc(C)c(C)o1 ZINC000281959442 174184133 /nfs/dbraw/zinc/18/41/33/174184133.db2.gz AXWHMIAQZCQGMS-GFCCVEGCSA-N 0 3 239.359 3.364 20 0 BGADHN COCCCCCN[C@@H](C)c1cc(C)c(C)o1 ZINC000281959446 174182721 /nfs/dbraw/zinc/18/27/21/174182721.db2.gz AXWHMIAQZCQGMS-LBPRGKRZSA-N 0 3 239.359 3.364 20 0 BGADHN CC[C@@H](C)CNCc1cc(C)cc(Cl)n1 ZINC000281963561 385461565 /nfs/dbraw/zinc/46/15/65/385461565.db2.gz JLRLMPQLUORHMG-SECBINFHSA-N 0 3 226.751 3.179 20 0 BGADHN CC[C@H](C)CNCc1cc(C)cc(Cl)n1 ZINC000281963565 171285921 /nfs/dbraw/zinc/28/59/21/171285921.db2.gz JLRLMPQLUORHMG-VIFPVBQESA-N 0 3 226.751 3.179 20 0 BGADHN Fc1ccccc1CN[C@@H]1CCC12CCC2 ZINC000281965658 181013077 /nfs/dbraw/zinc/01/30/77/181013077.db2.gz BHINQXMXZCFTGT-CYBMUJFWSA-N 0 3 219.303 3.248 20 0 BGADHN Fc1ccccc1CN[C@H]1CCC12CCC2 ZINC000281965661 181013659 /nfs/dbraw/zinc/01/36/59/181013659.db2.gz BHINQXMXZCFTGT-ZDUSSCGKSA-N 0 3 219.303 3.248 20 0 BGADHN Cc1cc(Cl)nc(CNCC(C)(C)C)c1 ZINC000282015855 178071686 /nfs/dbraw/zinc/07/16/86/178071686.db2.gz NDNBXNNIWYLSDO-UHFFFAOYSA-N 0 3 226.751 3.179 20 0 BGADHN Cc1cc(Cl)nc(CNC2CCCC2)c1 ZINC000282016112 178070947 /nfs/dbraw/zinc/07/09/47/178070947.db2.gz NFBPBPBNLITNIL-UHFFFAOYSA-N 0 3 224.735 3.076 20 0 BGADHN CCSCCCNCc1cccc(F)c1F ZINC000282054873 385727638 /nfs/dbraw/zinc/72/76/38/385727638.db2.gz PQAFFEFXPFWAJJ-UHFFFAOYSA-N 0 3 245.338 3.198 20 0 BGADHN CCOCCCCN[C@H](C)c1cc(C)c(C)o1 ZINC000282055378 170369163 /nfs/dbraw/zinc/36/91/63/170369163.db2.gz GPMJQIVONCSWJL-GFCCVEGCSA-N 0 3 239.359 3.364 20 0 BGADHN CCOCCCCN[C@@H](C)c1cc(C)c(C)o1 ZINC000282055382 170369151 /nfs/dbraw/zinc/36/91/51/170369151.db2.gz GPMJQIVONCSWJL-LBPRGKRZSA-N 0 3 239.359 3.364 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CCSC2)oc1C ZINC000282057691 178254857 /nfs/dbraw/zinc/25/48/57/178254857.db2.gz GQJSSJAWYAYBFP-GXSJLCMTSA-N 0 3 225.357 3.053 20 0 BGADHN Cc1cc([C@@H](C)N[C@H]2CCSC2)oc1C ZINC000282057693 178233019 /nfs/dbraw/zinc/23/30/19/178233019.db2.gz GQJSSJAWYAYBFP-KOLCDFICSA-N 0 3 225.357 3.053 20 0 BGADHN Cc1cc([C@@H](C)N[C@@H]2CCSC2)oc1C ZINC000282057697 178230849 /nfs/dbraw/zinc/23/08/49/178230849.db2.gz GQJSSJAWYAYBFP-MWLCHTKSSA-N 0 3 225.357 3.053 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2CCSC2)oc1C ZINC000282057702 178257170 /nfs/dbraw/zinc/25/71/70/178257170.db2.gz GQJSSJAWYAYBFP-ONGXEEELSA-N 0 3 225.357 3.053 20 0 BGADHN Cc1cc(Cl)nc(CN[C@@H]2CC[C@H](C)C2)c1 ZINC000282061202 178071570 /nfs/dbraw/zinc/07/15/70/178071570.db2.gz PXELVZQTFWQNKI-GXSJLCMTSA-N 0 3 238.762 3.322 20 0 BGADHN Cc1cc(Cl)nc(CN[C@H]2CC[C@@H](C)C2)c1 ZINC000282061206 178071855 /nfs/dbraw/zinc/07/18/55/178071855.db2.gz PXELVZQTFWQNKI-KOLCDFICSA-N 0 3 238.762 3.322 20 0 BGADHN Cc1cc(Cl)nc(CN[C@@H]2CC[C@@H](C)C2)c1 ZINC000282061209 178071867 /nfs/dbraw/zinc/07/18/67/178071867.db2.gz PXELVZQTFWQNKI-MWLCHTKSSA-N 0 3 238.762 3.322 20 0 BGADHN Cc1cc(Cl)nc(CN[C@H]2CC[C@H](C)C2)c1 ZINC000282061213 178071631 /nfs/dbraw/zinc/07/16/31/178071631.db2.gz PXELVZQTFWQNKI-ONGXEEELSA-N 0 3 238.762 3.322 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CCCSC2)oc1C ZINC000282065184 178253473 /nfs/dbraw/zinc/25/34/73/178253473.db2.gz GWMXVYVJIZVVAK-CMPLNLGQSA-N 0 3 239.384 3.443 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2CCCSC2)oc1C ZINC000282065185 178258461 /nfs/dbraw/zinc/25/84/61/178258461.db2.gz GWMXVYVJIZVVAK-JQWIXIFHSA-N 0 3 239.384 3.443 20 0 BGADHN Cc1cc([C@@H](C)N[C@H]2CCCSC2)oc1C ZINC000282065187 178232331 /nfs/dbraw/zinc/23/23/31/178232331.db2.gz GWMXVYVJIZVVAK-PWSUYJOCSA-N 0 3 239.384 3.443 20 0 BGADHN Cc1cc([C@@H](C)N[C@@H]2CCCSC2)oc1C ZINC000282065189 178231698 /nfs/dbraw/zinc/23/16/98/178231698.db2.gz GWMXVYVJIZVVAK-ZYHUDNBSSA-N 0 3 239.384 3.443 20 0 BGADHN FC1(F)CCC[C@H](CNCc2ccco2)C1 ZINC000282082758 385730358 /nfs/dbraw/zinc/73/03/58/385730358.db2.gz RHRYEXDVMBJTRM-JTQLQIEISA-N 0 3 229.270 3.195 20 0 BGADHN FC1(F)CCC[C@@H](CNCc2ccco2)C1 ZINC000282082761 385729284 /nfs/dbraw/zinc/72/92/84/385729284.db2.gz RHRYEXDVMBJTRM-SNVBAGLBSA-N 0 3 229.270 3.195 20 0 BGADHN CC(C)C[C@@H](C)CN(C)Cc1cccnc1 ZINC000282084273 385730608 /nfs/dbraw/zinc/73/06/08/385730608.db2.gz UTDFKNQOGHDWIF-CYBMUJFWSA-N 0 3 220.360 3.196 20 0 BGADHN CC(C)C[C@H](C)CN(C)Cc1cccnc1 ZINC000282084275 187342654 /nfs/dbraw/zinc/34/26/54/187342654.db2.gz UTDFKNQOGHDWIF-ZDUSSCGKSA-N 0 3 220.360 3.196 20 0 BGADHN CO[C@H](CN[C@H](C)c1cc(C)c(C)o1)C(C)C ZINC000282084683 385730385 /nfs/dbraw/zinc/73/03/85/385730385.db2.gz HTZNAUXWKCBWII-BXUZGUMPSA-N 0 3 239.359 3.218 20 0 BGADHN CO[C@@H](CN[C@@H](C)c1cc(C)c(C)o1)C(C)C ZINC000282084687 385730399 /nfs/dbraw/zinc/73/03/99/385730399.db2.gz HTZNAUXWKCBWII-FZMZJTMJSA-N 0 3 239.359 3.218 20 0 BGADHN CO[C@@H](CN[C@H](C)c1cc(C)c(C)o1)C(C)C ZINC000282084690 385731762 /nfs/dbraw/zinc/73/17/62/385731762.db2.gz HTZNAUXWKCBWII-RISCZKNCSA-N 0 3 239.359 3.218 20 0 BGADHN CO[C@H](CN[C@@H](C)c1cc(C)c(C)o1)C(C)C ZINC000282084693 385732067 /nfs/dbraw/zinc/73/20/67/385732067.db2.gz HTZNAUXWKCBWII-SMDDNHRTSA-N 0 3 239.359 3.218 20 0 BGADHN Cc1cc([C@H](C)NC2CCCC2)oc1C ZINC000282089157 178246082 /nfs/dbraw/zinc/24/60/82/178246082.db2.gz IAXSSTHGXGYDAX-JTQLQIEISA-N 0 3 207.317 3.490 20 0 BGADHN Cc1cc([C@@H](C)NC2CCCC2)oc1C ZINC000282089162 178222050 /nfs/dbraw/zinc/22/20/50/178222050.db2.gz IAXSSTHGXGYDAX-SNVBAGLBSA-N 0 3 207.317 3.490 20 0 BGADHN Cc1cc([C@@H](C)NCCc2cccnc2)oc1C ZINC000282109547 178227478 /nfs/dbraw/zinc/22/74/78/178227478.db2.gz IYMGOHZZQCKCQP-GFCCVEGCSA-N 0 3 244.338 3.185 20 0 BGADHN Cc1cc([C@H](C)NCCc2cccnc2)oc1C ZINC000282109548 178248111 /nfs/dbraw/zinc/24/81/11/178248111.db2.gz IYMGOHZZQCKCQP-LBPRGKRZSA-N 0 3 244.338 3.185 20 0 BGADHN CCC(O)(CC)CN[C@H](C)c1cc(C)c(C)o1 ZINC000282109564 385733570 /nfs/dbraw/zinc/73/35/70/385733570.db2.gz IYVJQPBHFLXDGO-LLVKDONJSA-N 0 3 239.359 3.098 20 0 BGADHN CCC(O)(CC)CN[C@@H](C)c1cc(C)c(C)o1 ZINC000282109566 385734791 /nfs/dbraw/zinc/73/47/91/385734791.db2.gz IYVJQPBHFLXDGO-NSHDSACASA-N 0 3 239.359 3.098 20 0 BGADHN Cc1cc([C@H](C)NCC2CCC2)oc1C ZINC000282113688 178246916 /nfs/dbraw/zinc/24/69/16/178246916.db2.gz JCWYWUKEZUQPFT-JTQLQIEISA-N 0 3 207.317 3.347 20 0 BGADHN Cc1cc([C@@H](C)NCC2CCC2)oc1C ZINC000282113690 178223361 /nfs/dbraw/zinc/22/33/61/178223361.db2.gz JCWYWUKEZUQPFT-SNVBAGLBSA-N 0 3 207.317 3.347 20 0 BGADHN CSCCN[C@H](C)c1ccccc1SC ZINC000282113971 385506949 /nfs/dbraw/zinc/50/69/49/385506949.db2.gz QCTGWXBMJLRHEZ-SNVBAGLBSA-N 0 3 241.425 3.422 20 0 BGADHN Cc1cc(Cl)nc(CNC2CCCCC2)c1 ZINC000282114348 178071434 /nfs/dbraw/zinc/07/14/34/178071434.db2.gz UHUIHJBOBLNOFQ-UHFFFAOYSA-N 0 3 238.762 3.466 20 0 BGADHN COC[C@@H](N[C@H]1CCC12CCC2)c1ccccc1 ZINC000282138778 385736952 /nfs/dbraw/zinc/73/69/52/385736952.db2.gz KNBKNAHISWSISI-CABCVRRESA-N 0 3 245.366 3.296 20 0 BGADHN COC[C@H](N[C@H]1CCC12CCC2)c1ccccc1 ZINC000282138782 385737025 /nfs/dbraw/zinc/73/70/25/385737025.db2.gz KNBKNAHISWSISI-GJZGRUSLSA-N 0 3 245.366 3.296 20 0 BGADHN COC[C@@H](N[C@@H]1CCC12CCC2)c1ccccc1 ZINC000282138786 385736589 /nfs/dbraw/zinc/73/65/89/385736589.db2.gz KNBKNAHISWSISI-HUUCEWRRSA-N 0 3 245.366 3.296 20 0 BGADHN COC[C@H](N[C@@H]1CCC12CCC2)c1ccccc1 ZINC000282138791 385736144 /nfs/dbraw/zinc/73/61/44/385736144.db2.gz KNBKNAHISWSISI-LSDHHAIUSA-N 0 3 245.366 3.296 20 0 BGADHN CSCCCN[C@@H](C)c1cc(C)c(C)o1 ZINC000282138873 385509986 /nfs/dbraw/zinc/50/99/86/385509986.db2.gz KNMNNZFADHLWJD-JTQLQIEISA-N 0 3 227.373 3.300 20 0 BGADHN CSCCCN[C@H](C)c1cc(C)c(C)o1 ZINC000282138877 175487752 /nfs/dbraw/zinc/48/77/52/175487752.db2.gz KNMNNZFADHLWJD-SNVBAGLBSA-N 0 3 227.373 3.300 20 0 BGADHN Cc1cc([C@@H](C)N[C@H](C)C2CC2)oc1C ZINC000282161048 178233362 /nfs/dbraw/zinc/23/33/62/178233362.db2.gz LSYRYYRAXKEASA-NXEZZACHSA-N 0 3 207.317 3.346 20 0 BGADHN Cc1cc([C@H](C)N[C@@H](C)C2CC2)oc1C ZINC000282161052 178252318 /nfs/dbraw/zinc/25/23/18/178252318.db2.gz LSYRYYRAXKEASA-UWVGGRQHSA-N 0 3 207.317 3.346 20 0 BGADHN Cc1cc([C@@H](C)N[C@@H](C)C2CC2)oc1C ZINC000282161053 178231692 /nfs/dbraw/zinc/23/16/92/178231692.db2.gz LSYRYYRAXKEASA-VHSXEESVSA-N 0 3 207.317 3.346 20 0 BGADHN Cc1cc([C@H](C)N[C@H](C)C2CC2)oc1C ZINC000282161057 178254963 /nfs/dbraw/zinc/25/49/63/178254963.db2.gz LSYRYYRAXKEASA-ZJUUUORDSA-N 0 3 207.317 3.346 20 0 BGADHN Cc1cc([C@H](C)NC[C@H]2C[C@@H]2C)oc1C ZINC000282168215 178250328 /nfs/dbraw/zinc/25/03/28/178250328.db2.gz MCGBBSMLEBBRNS-JBLDHEPKSA-N 0 3 207.317 3.203 20 0 BGADHN Cc1cc([C@H](C)NC[C@H]2C[C@H]2C)oc1C ZINC000282168217 178251185 /nfs/dbraw/zinc/25/11/85/178251185.db2.gz MCGBBSMLEBBRNS-JFGNBEQYSA-N 0 3 207.317 3.203 20 0 BGADHN Cc1cc([C@H](C)NC[C@@H]2C[C@@H]2C)oc1C ZINC000282168219 178249873 /nfs/dbraw/zinc/24/98/73/178249873.db2.gz MCGBBSMLEBBRNS-NHCYSSNCSA-N 0 3 207.317 3.203 20 0 BGADHN Cc1cc([C@H](C)NC[C@@H]2C[C@H]2C)oc1C ZINC000282168222 178249966 /nfs/dbraw/zinc/24/99/66/178249966.db2.gz MCGBBSMLEBBRNS-SCVCMEIPSA-N 0 3 207.317 3.203 20 0 BGADHN CCSCCCNCc1ccc(CC)o1 ZINC000282183714 385517281 /nfs/dbraw/zinc/51/72/81/385517281.db2.gz ZPXCKUMSGLYOLI-UHFFFAOYSA-N 0 3 227.373 3.075 20 0 BGADHN Brc1sccc1CNCC1CC1 ZINC000282218568 166109622 /nfs/dbraw/zinc/10/96/22/166109622.db2.gz JYYLJIMQZDSAFR-UHFFFAOYSA-N 0 3 246.173 3.010 20 0 BGADHN Cc1cc([C@H](C)NC2CC(C)C2)oc1C ZINC000282223851 178245293 /nfs/dbraw/zinc/24/52/93/178245293.db2.gz PBZDWAJNNRJJOH-BSTRBVHOSA-N 0 3 207.317 3.346 20 0 BGADHN Cc1cc([C@@H](C)NC2CC(C)C2)oc1C ZINC000282223854 178221817 /nfs/dbraw/zinc/22/18/17/178221817.db2.gz PBZDWAJNNRJJOH-KRBLXSNTSA-N 0 3 207.317 3.346 20 0 BGADHN Cc1cc([C@H](C)NCCC2CC2)oc1C ZINC000282227657 488206947 /nfs/dbraw/zinc/20/69/47/488206947.db2.gz PFQCVNOUQRTRMD-JTQLQIEISA-N 0 3 207.317 3.347 20 0 BGADHN Cc1cc([C@@H](C)NCCC2CC2)oc1C ZINC000282227660 487861535 /nfs/dbraw/zinc/86/15/35/487861535.db2.gz PFQCVNOUQRTRMD-SNVBAGLBSA-N 0 3 207.317 3.347 20 0 BGADHN Cc1cc([C@@H](C)NCCc2ccncc2)oc1C ZINC000282309537 178225953 /nfs/dbraw/zinc/22/59/53/178225953.db2.gz TUHAGWVHRGYNKU-GFCCVEGCSA-N 0 3 244.338 3.185 20 0 BGADHN Cc1cc([C@H](C)NCCc2ccncc2)oc1C ZINC000282309541 178248918 /nfs/dbraw/zinc/24/89/18/178248918.db2.gz TUHAGWVHRGYNKU-LBPRGKRZSA-N 0 3 244.338 3.185 20 0 BGADHN CCC[C@@](C)(O)CN[C@H](C)c1cc(C)c(C)o1 ZINC000282311538 385753041 /nfs/dbraw/zinc/75/30/41/385753041.db2.gz TVLFGOPIWUZKLJ-BXUZGUMPSA-N 0 3 239.359 3.098 20 0 BGADHN CCC[C@](C)(O)CN[C@@H](C)c1cc(C)c(C)o1 ZINC000282311543 385752615 /nfs/dbraw/zinc/75/26/15/385752615.db2.gz TVLFGOPIWUZKLJ-FZMZJTMJSA-N 0 3 239.359 3.098 20 0 BGADHN CCC[C@](C)(O)CN[C@H](C)c1cc(C)c(C)o1 ZINC000282311547 169554133 /nfs/dbraw/zinc/55/41/33/169554133.db2.gz TVLFGOPIWUZKLJ-RISCZKNCSA-N 0 3 239.359 3.098 20 0 BGADHN CCC[C@@](C)(O)CN[C@@H](C)c1cc(C)c(C)o1 ZINC000282311552 385752599 /nfs/dbraw/zinc/75/25/99/385752599.db2.gz TVLFGOPIWUZKLJ-SMDDNHRTSA-N 0 3 239.359 3.098 20 0 BGADHN C[C@H](N[C@H]1CCC12CCC2)c1ccccn1 ZINC000282311557 384232271 /nfs/dbraw/zinc/23/22/71/384232271.db2.gz TVNDJCHCDUQZEY-AAEUAGOBSA-N 0 3 216.328 3.065 20 0 BGADHN C[C@@H](N[C@@H]1CCC12CCC2)c1ccccn1 ZINC000282311562 384231756 /nfs/dbraw/zinc/23/17/56/384231756.db2.gz TVNDJCHCDUQZEY-DGCLKSJQSA-N 0 3 216.328 3.065 20 0 BGADHN C[C@H](N[C@@H]1CCC12CCC2)c1ccccn1 ZINC000282311567 384229701 /nfs/dbraw/zinc/22/97/01/384229701.db2.gz TVNDJCHCDUQZEY-WCQYABFASA-N 0 3 216.328 3.065 20 0 BGADHN C[C@@H](N[C@H]1CCC12CCC2)c1ccccn1 ZINC000282311572 384230791 /nfs/dbraw/zinc/23/07/91/384230791.db2.gz TVNDJCHCDUQZEY-YPMHNXCESA-N 0 3 216.328 3.065 20 0 BGADHN CC(C)NCc1ccsc1Br ZINC000282316435 167121002 /nfs/dbraw/zinc/12/10/02/167121002.db2.gz DUTMORDBRSVYKC-UHFFFAOYSA-N 0 3 234.162 3.009 20 0 BGADHN Cc1cc([C@H](C)NC2CCSCC2)oc1C ZINC000282322191 178245341 /nfs/dbraw/zinc/24/53/41/178245341.db2.gz UIPQZCZIMVZIQM-JTQLQIEISA-N 0 3 239.384 3.443 20 0 BGADHN Cc1cc([C@@H](C)NC2CCSCC2)oc1C ZINC000282322198 178223315 /nfs/dbraw/zinc/22/33/15/178223315.db2.gz UIPQZCZIMVZIQM-SNVBAGLBSA-N 0 3 239.384 3.443 20 0 BGADHN Clc1ccc(CN[C@@H]2CCC23CCC3)cn1 ZINC000282324790 180579935 /nfs/dbraw/zinc/57/99/35/180579935.db2.gz UMKJPPIEYLZMLT-LLVKDONJSA-N 0 3 236.746 3.157 20 0 BGADHN Clc1ccc(CN[C@H]2CCC23CCC3)cn1 ZINC000282324792 384236186 /nfs/dbraw/zinc/23/61/86/384236186.db2.gz UMKJPPIEYLZMLT-NSHDSACASA-N 0 3 236.746 3.157 20 0 BGADHN Cc1cc([C@@H](C)NCCC2=CCCCC2)nn1C ZINC000282327257 178223904 /nfs/dbraw/zinc/22/39/04/178223904.db2.gz UQGDXFSPCDCLAO-CYBMUJFWSA-N 0 3 247.386 3.270 20 0 BGADHN Cc1cc([C@H](C)NCCC2=CCCCC2)nn1C ZINC000282327259 178246750 /nfs/dbraw/zinc/24/67/50/178246750.db2.gz UQGDXFSPCDCLAO-ZDUSSCGKSA-N 0 3 247.386 3.270 20 0 BGADHN COC[C@H](N[C@@H]1CCC12CCC2)c1ccc(C)o1 ZINC000282348358 491111412 /nfs/dbraw/zinc/11/14/12/491111412.db2.gz VOWWMYFTKOSCNA-GXTWGEPZSA-N 0 3 249.354 3.198 20 0 BGADHN COC[C@H](N[C@H]1CCC12CCC2)c1ccc(C)o1 ZINC000282348364 491111382 /nfs/dbraw/zinc/11/13/82/491111382.db2.gz VOWWMYFTKOSCNA-JSGCOSHPSA-N 0 3 249.354 3.198 20 0 BGADHN COC[C@@H](N[C@H]1CCC12CCC2)c1ccc(C)o1 ZINC000282348367 491111432 /nfs/dbraw/zinc/11/14/32/491111432.db2.gz VOWWMYFTKOSCNA-OCCSQVGLSA-N 0 3 249.354 3.198 20 0 BGADHN COC[C@@H](N[C@@H]1CCC12CCC2)c1ccc(C)o1 ZINC000282348373 491111388 /nfs/dbraw/zinc/11/13/88/491111388.db2.gz VOWWMYFTKOSCNA-TZMCWYRMSA-N 0 3 249.354 3.198 20 0 BGADHN Cc1cc([C@H](C)NC[C@@H]2CCCCO2)oc1C ZINC000282355847 178248576 /nfs/dbraw/zinc/24/85/76/178248576.db2.gz VYWQBJUMQCCIIK-AAEUAGOBSA-N 0 3 237.343 3.116 20 0 BGADHN Cc1cc([C@@H](C)NC[C@H]2CCCCO2)oc1C ZINC000282355849 178225877 /nfs/dbraw/zinc/22/58/77/178225877.db2.gz VYWQBJUMQCCIIK-DGCLKSJQSA-N 0 3 237.343 3.116 20 0 BGADHN Cc1cc([C@H](C)NC[C@H]2CCCCO2)oc1C ZINC000282355851 178250034 /nfs/dbraw/zinc/25/00/34/178250034.db2.gz VYWQBJUMQCCIIK-WCQYABFASA-N 0 3 237.343 3.116 20 0 BGADHN Cc1cc([C@@H](C)NC[C@@H]2CCCCO2)oc1C ZINC000282355854 178227978 /nfs/dbraw/zinc/22/79/78/178227978.db2.gz VYWQBJUMQCCIIK-YPMHNXCESA-N 0 3 237.343 3.116 20 0 BGADHN CSC[C@@H](C)N[C@H](C)c1cc(C)c(C)o1 ZINC000282364914 384256176 /nfs/dbraw/zinc/25/61/76/384256176.db2.gz WHCFYFQIOMIOHI-NXEZZACHSA-N 0 3 227.373 3.299 20 0 BGADHN CSC[C@H](C)N[C@@H](C)c1cc(C)c(C)o1 ZINC000282364916 384256694 /nfs/dbraw/zinc/25/66/94/384256694.db2.gz WHCFYFQIOMIOHI-UWVGGRQHSA-N 0 3 227.373 3.299 20 0 BGADHN CSC[C@H](C)N[C@H](C)c1cc(C)c(C)o1 ZINC000282364920 384257910 /nfs/dbraw/zinc/25/79/10/384257910.db2.gz WHCFYFQIOMIOHI-VHSXEESVSA-N 0 3 227.373 3.299 20 0 BGADHN CSC[C@@H](C)N[C@@H](C)c1cc(C)c(C)o1 ZINC000282364922 384255962 /nfs/dbraw/zinc/25/59/62/384255962.db2.gz WHCFYFQIOMIOHI-ZJUUUORDSA-N 0 3 227.373 3.299 20 0 BGADHN C[C@H](N[C@@H](C)[C@@H]1CCCCO1)c1cccc(O)c1 ZINC000282392129 384260252 /nfs/dbraw/zinc/26/02/52/384260252.db2.gz REULCWZULPKOEF-HUBLWGQQSA-N 0 3 249.354 3.000 20 0 BGADHN C[C@H](N[C@@H](C)[C@H]1CCCCO1)c1cccc(O)c1 ZINC000282392133 384260002 /nfs/dbraw/zinc/26/00/02/384260002.db2.gz REULCWZULPKOEF-SLEUVZQESA-N 0 3 249.354 3.000 20 0 BGADHN C[C@@H](N[C@@H](C)c1cccc(O)c1)[C@H]1CCCCO1 ZINC000282392136 384258832 /nfs/dbraw/zinc/25/88/32/384258832.db2.gz REULCWZULPKOEF-YWPYICTPSA-N 0 3 249.354 3.000 20 0 BGADHN C[C@@H](N[C@@H](C)c1cccc(O)c1)[C@@H]1CCCCO1 ZINC000282392138 384260365 /nfs/dbraw/zinc/26/03/65/384260365.db2.gz REULCWZULPKOEF-ZOWXZIJZSA-N 0 3 249.354 3.000 20 0 BGADHN Cc1cc([C@@H](C)NCCCOC(C)C)oc1C ZINC000282411748 178224494 /nfs/dbraw/zinc/22/44/94/178224494.db2.gz YHDDTTFMQDBOHC-GFCCVEGCSA-N 0 3 239.359 3.362 20 0 BGADHN Cc1cc([C@H](C)NCCCOC(C)C)oc1C ZINC000282411753 178247254 /nfs/dbraw/zinc/24/72/54/178247254.db2.gz YHDDTTFMQDBOHC-LBPRGKRZSA-N 0 3 239.359 3.362 20 0 BGADHN Cc1cc(Cl)nc(CN[C@@H](C)C2CCC2)c1 ZINC000282418080 178071726 /nfs/dbraw/zinc/07/17/26/178071726.db2.gz CQIRWFURPBKDDN-JTQLQIEISA-N 0 3 238.762 3.322 20 0 BGADHN Cc1cc(Cl)nc(CN[C@H](C)C2CCC2)c1 ZINC000282418082 178070886 /nfs/dbraw/zinc/07/08/86/178070886.db2.gz CQIRWFURPBKDDN-SNVBAGLBSA-N 0 3 238.762 3.322 20 0 BGADHN FCCC[C@H]1CCC[C@H]1NCc1nccs1 ZINC000282434231 384276558 /nfs/dbraw/zinc/27/65/58/384276558.db2.gz FSSLNYGNRGMYQP-GHMZBOCLSA-N 0 3 242.363 3.151 20 0 BGADHN FCCC[C@H]1CCC[C@@H]1NCc1nccs1 ZINC000282434235 384276365 /nfs/dbraw/zinc/27/63/65/384276365.db2.gz FSSLNYGNRGMYQP-MNOVXSKESA-N 0 3 242.363 3.151 20 0 BGADHN FCCC[C@@H]1CCC[C@@H]1NCc1nccs1 ZINC000282434237 384275321 /nfs/dbraw/zinc/27/53/21/384275321.db2.gz FSSLNYGNRGMYQP-QWRGUYRKSA-N 0 3 242.363 3.151 20 0 BGADHN FCCC[C@@H]1CCC[C@H]1NCc1nccs1 ZINC000282434240 384275466 /nfs/dbraw/zinc/27/54/66/384275466.db2.gz FSSLNYGNRGMYQP-WDEREUQCSA-N 0 3 242.363 3.151 20 0 BGADHN Cc1cc([C@H](C)NC[C@H](C)c2ccccc2)no1 ZINC000282442328 178250298 /nfs/dbraw/zinc/25/02/98/178250298.db2.gz DXXILUZWYPZVRE-AAEUAGOBSA-N 0 3 244.338 3.437 20 0 BGADHN Cc1cc([C@@H](C)NC[C@@H](C)c2ccccc2)no1 ZINC000282442330 178226117 /nfs/dbraw/zinc/22/61/17/178226117.db2.gz DXXILUZWYPZVRE-DGCLKSJQSA-N 0 3 244.338 3.437 20 0 BGADHN Cc1cc([C@@H](C)NC[C@H](C)c2ccccc2)no1 ZINC000282442332 178227546 /nfs/dbraw/zinc/22/75/46/178227546.db2.gz DXXILUZWYPZVRE-WCQYABFASA-N 0 3 244.338 3.437 20 0 BGADHN Cc1cc([C@H](C)NC[C@@H](C)c2ccccc2)no1 ZINC000282442334 178248119 /nfs/dbraw/zinc/24/81/19/178248119.db2.gz DXXILUZWYPZVRE-YPMHNXCESA-N 0 3 244.338 3.437 20 0 BGADHN Cc1cc([C@H](C)NC[C@H]2CCSC2)oc1C ZINC000282459273 178250398 /nfs/dbraw/zinc/25/03/98/178250398.db2.gz FVCRADOMXJWWQX-CMPLNLGQSA-N 0 3 239.384 3.300 20 0 BGADHN Cc1cc([C@H](C)NC[C@@H]2CCSC2)oc1C ZINC000282459283 178251197 /nfs/dbraw/zinc/25/11/97/178251197.db2.gz FVCRADOMXJWWQX-JQWIXIFHSA-N 0 3 239.384 3.300 20 0 BGADHN Cc1cc([C@@H](C)NC[C@@H]2CCSC2)oc1C ZINC000282459297 178227786 /nfs/dbraw/zinc/22/77/86/178227786.db2.gz FVCRADOMXJWWQX-PWSUYJOCSA-N 0 3 239.384 3.300 20 0 BGADHN Cc1cc([C@@H](C)NC[C@H]2CCSC2)oc1C ZINC000282459308 178229703 /nfs/dbraw/zinc/22/97/03/178229703.db2.gz FVCRADOMXJWWQX-ZYHUDNBSSA-N 0 3 239.384 3.300 20 0 BGADHN Cc1cc([C@@H](C)N[C@@H](C)CC(C)C)no1 ZINC000282461790 178231078 /nfs/dbraw/zinc/23/10/78/178231078.db2.gz GALVWFCYIXECIF-GXSJLCMTSA-N 0 3 210.321 3.068 20 0 BGADHN Cc1cc([C@H](C)N[C@H](C)CC(C)C)no1 ZINC000282461791 178255782 /nfs/dbraw/zinc/25/57/82/178255782.db2.gz GALVWFCYIXECIF-KOLCDFICSA-N 0 3 210.321 3.068 20 0 BGADHN Cc1cc([C@@H](C)N[C@H](C)CC(C)C)no1 ZINC000282461792 178232591 /nfs/dbraw/zinc/23/25/91/178232591.db2.gz GALVWFCYIXECIF-MWLCHTKSSA-N 0 3 210.321 3.068 20 0 BGADHN Cc1cc([C@H](C)N[C@@H](C)CC(C)C)no1 ZINC000282463508 178251472 /nfs/dbraw/zinc/25/14/72/178251472.db2.gz GALVWFCYIXECIF-ONGXEEELSA-N 0 3 210.321 3.068 20 0 BGADHN CC[C@H](C)[C@@H](C)N[C@@H](C)c1cc(C)on1 ZINC000282467631 171367006 /nfs/dbraw/zinc/36/70/06/171367006.db2.gz GGJOBNWHTWGGNT-GDPRMGEGSA-N 0 3 210.321 3.068 20 0 BGADHN CC[C@H](C)[C@H](C)N[C@H](C)c1cc(C)on1 ZINC000282467634 171390170 /nfs/dbraw/zinc/39/01/70/171390170.db2.gz GGJOBNWHTWGGNT-INTQDDNPSA-N 0 3 210.321 3.068 20 0 BGADHN CC[C@H](C)[C@@H](C)N[C@H](C)c1cc(C)on1 ZINC000282467636 171366559 /nfs/dbraw/zinc/36/65/59/171366559.db2.gz GGJOBNWHTWGGNT-JMJZKYOTSA-N 0 3 210.321 3.068 20 0 BGADHN CC[C@H](C)[C@H](C)N[C@@H](C)c1cc(C)on1 ZINC000282467640 171390275 /nfs/dbraw/zinc/39/02/75/171390275.db2.gz GGJOBNWHTWGGNT-LSJOCFKGSA-N 0 3 210.321 3.068 20 0 BGADHN Clc1ccc(CN[C@@H]2CCC23CCC3)nc1 ZINC000282471144 384292763 /nfs/dbraw/zinc/29/27/63/384292763.db2.gz GMCXJCWFZDDTSV-GFCCVEGCSA-N 0 3 236.746 3.157 20 0 BGADHN Clc1ccc(CN[C@H]2CCC23CCC3)nc1 ZINC000282471147 384292407 /nfs/dbraw/zinc/29/24/07/384292407.db2.gz GMCXJCWFZDDTSV-LBPRGKRZSA-N 0 3 236.746 3.157 20 0 BGADHN CC[C@@H](C)NCc1ccsc1Br ZINC000282555558 385892526 /nfs/dbraw/zinc/89/25/26/385892526.db2.gz XNYRVOFUHVFEQC-SSDOTTSWSA-N 0 3 248.189 3.399 20 0 BGADHN CC[C@H](C)NCc1ccsc1Br ZINC000282555559 171344596 /nfs/dbraw/zinc/34/45/96/171344596.db2.gz XNYRVOFUHVFEQC-ZETCQYMHSA-N 0 3 248.189 3.399 20 0 BGADHN CC1(C)SC[C@H]1NCc1cccc2cc[nH]c21 ZINC000282576191 188096199 /nfs/dbraw/zinc/09/61/99/188096199.db2.gz BBFICNYGSKVJJA-GFCCVEGCSA-N 0 3 246.379 3.152 20 0 BGADHN CC1(C)SC[C@@H]1NCc1cccc2cc[nH]c21 ZINC000282576193 187240477 /nfs/dbraw/zinc/24/04/77/187240477.db2.gz BBFICNYGSKVJJA-LBPRGKRZSA-N 0 3 246.379 3.152 20 0 BGADHN CC(C)SCCN[C@H](C)c1cccc(O)c1 ZINC000282612894 167332378 /nfs/dbraw/zinc/33/23/78/167332378.db2.gz ZBRNMMCXXLVWRW-LLVKDONJSA-N 0 3 239.384 3.184 20 0 BGADHN CC(C)SCCN[C@@H](C)c1cccc(O)c1 ZINC000282612896 167332834 /nfs/dbraw/zinc/33/28/34/167332834.db2.gz ZBRNMMCXXLVWRW-NSHDSACASA-N 0 3 239.384 3.184 20 0 BGADHN CC(C)SCCN(C)[C@H](C)c1ccccn1 ZINC000282629383 167322976 /nfs/dbraw/zinc/32/29/76/167322976.db2.gz ASGBNBDYUXPAMJ-GFCCVEGCSA-N 0 3 238.400 3.216 20 0 BGADHN CC(C)SCCN(C)[C@@H](C)c1ccccn1 ZINC000282629388 167322705 /nfs/dbraw/zinc/32/27/05/167322705.db2.gz ASGBNBDYUXPAMJ-LBPRGKRZSA-N 0 3 238.400 3.216 20 0 BGADHN Cc1ccsc1CN[C@H]1CSC1(C)C ZINC000282636175 386413692 /nfs/dbraw/zinc/41/36/92/386413692.db2.gz GSQDRLIOBBWSLW-JTQLQIEISA-N 0 3 227.398 3.040 20 0 BGADHN Cc1ccsc1CN[C@@H]1CSC1(C)C ZINC000282636178 386413026 /nfs/dbraw/zinc/41/30/26/386413026.db2.gz GSQDRLIOBBWSLW-SNVBAGLBSA-N 0 3 227.398 3.040 20 0 BGADHN COCC1(CN[C@H](C)c2ccc(C)o2)CCC1 ZINC000282659168 174104993 /nfs/dbraw/zinc/10/49/93/174104993.db2.gz IKLRDIQYRWKMPY-GFCCVEGCSA-N 0 3 237.343 3.055 20 0 BGADHN COCC1(CN[C@@H](C)c2ccc(C)o2)CCC1 ZINC000282659173 174104851 /nfs/dbraw/zinc/10/48/51/174104851.db2.gz IKLRDIQYRWKMPY-LBPRGKRZSA-N 0 3 237.343 3.055 20 0 BGADHN CCC[C@H](C)NCc1cc(C)cc(Cl)n1 ZINC000282669679 385950245 /nfs/dbraw/zinc/95/02/45/385950245.db2.gz JBAQUKCYLKTBQA-JTQLQIEISA-N 0 3 226.751 3.322 20 0 BGADHN CCC[C@@H](C)NCc1cc(C)cc(Cl)n1 ZINC000282669682 169370606 /nfs/dbraw/zinc/37/06/06/169370606.db2.gz JBAQUKCYLKTBQA-SNVBAGLBSA-N 0 3 226.751 3.322 20 0 BGADHN CCC[C@@H](CC)N[C@H](C)c1cc(C)on1 ZINC000282719032 169380370 /nfs/dbraw/zinc/38/03/70/169380370.db2.gz LWKMXOITHAJUKP-GHMZBOCLSA-N 0 3 210.321 3.212 20 0 BGADHN CCC[C@H](CC)N[C@H](C)c1cc(C)on1 ZINC000282719035 187360761 /nfs/dbraw/zinc/36/07/61/187360761.db2.gz LWKMXOITHAJUKP-MNOVXSKESA-N 0 3 210.321 3.212 20 0 BGADHN CCC[C@H](CC)N[C@@H](C)c1cc(C)on1 ZINC000282719039 188268052 /nfs/dbraw/zinc/26/80/52/188268052.db2.gz LWKMXOITHAJUKP-QWRGUYRKSA-N 0 3 210.321 3.212 20 0 BGADHN CCC[C@@H](CC)N[C@@H](C)c1cc(C)on1 ZINC000282719041 169379348 /nfs/dbraw/zinc/37/93/48/169379348.db2.gz LWKMXOITHAJUKP-WDEREUQCSA-N 0 3 210.321 3.212 20 0 BGADHN COCC[C@H](N[C@@H]1CCC12CCC2)c1ccco1 ZINC000282782299 385785059 /nfs/dbraw/zinc/78/50/59/385785059.db2.gz PQCFPEZOSUTFSG-GXTWGEPZSA-N 0 3 249.354 3.280 20 0 BGADHN COCC[C@H](N[C@H]1CCC12CCC2)c1ccco1 ZINC000282782300 385784794 /nfs/dbraw/zinc/78/47/94/385784794.db2.gz PQCFPEZOSUTFSG-JSGCOSHPSA-N 0 3 249.354 3.280 20 0 BGADHN COCC[C@@H](N[C@H]1CCC12CCC2)c1ccco1 ZINC000282782301 174394706 /nfs/dbraw/zinc/39/47/06/174394706.db2.gz PQCFPEZOSUTFSG-OCCSQVGLSA-N 0 3 249.354 3.280 20 0 BGADHN COCC[C@@H](N[C@@H]1CCC12CCC2)c1ccco1 ZINC000282782302 174395683 /nfs/dbraw/zinc/39/56/83/174395683.db2.gz PQCFPEZOSUTFSG-TZMCWYRMSA-N 0 3 249.354 3.280 20 0 BGADHN CC(C)COCCN(C)[C@H](C)c1cccs1 ZINC000282783235 188033347 /nfs/dbraw/zinc/03/33/47/188033347.db2.gz VXDIRSGKEHLOCH-GFCCVEGCSA-N 0 3 241.400 3.414 20 0 BGADHN CC(C)COCCN(C)[C@@H](C)c1cccs1 ZINC000282783238 188206725 /nfs/dbraw/zinc/20/67/25/188206725.db2.gz VXDIRSGKEHLOCH-LBPRGKRZSA-N 0 3 241.400 3.414 20 0 BGADHN Cc1cc([C@@H](C)NCCCCCCO)oc1C ZINC000282807739 178225339 /nfs/dbraw/zinc/22/53/39/178225339.db2.gz RCOCSWXOFMWDIK-GFCCVEGCSA-N 0 3 239.359 3.100 20 0 BGADHN Cc1cc([C@H](C)NCCCCCCO)oc1C ZINC000282807742 178246842 /nfs/dbraw/zinc/24/68/42/178246842.db2.gz RCOCSWXOFMWDIK-LBPRGKRZSA-N 0 3 239.359 3.100 20 0 BGADHN Cc1ccc(CN[C@H]2CSC2(C)C)s1 ZINC000282811527 487982579 /nfs/dbraw/zinc/98/25/79/487982579.db2.gz MMLLETXHSWHBBX-JTQLQIEISA-N 0 3 227.398 3.040 20 0 BGADHN Cc1ccc(CN[C@@H]2CSC2(C)C)s1 ZINC000282811528 487983176 /nfs/dbraw/zinc/98/31/76/487983176.db2.gz MMLLETXHSWHBBX-SNVBAGLBSA-N 0 3 227.398 3.040 20 0 BGADHN CCSCCCN[C@@H](C)c1ccc(F)cn1 ZINC000282833931 385789840 /nfs/dbraw/zinc/78/98/40/385789840.db2.gz SJGPGGXEQCZLPM-JTQLQIEISA-N 0 3 242.363 3.015 20 0 BGADHN CCSCCCN[C@H](C)c1ccc(F)cn1 ZINC000282833933 385790608 /nfs/dbraw/zinc/79/06/08/385790608.db2.gz SJGPGGXEQCZLPM-SNVBAGLBSA-N 0 3 242.363 3.015 20 0 BGADHN CCC(CC)CN[C@@H](C)c1cc(C)on1 ZINC000282859656 168362922 /nfs/dbraw/zinc/36/29/22/168362922.db2.gz XCRRRVFTWGUELA-JTQLQIEISA-N 0 3 210.321 3.070 20 0 BGADHN CCC(CC)CN[C@H](C)c1cc(C)on1 ZINC000282859659 168364659 /nfs/dbraw/zinc/36/46/59/168364659.db2.gz XCRRRVFTWGUELA-SNVBAGLBSA-N 0 3 210.321 3.070 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CCO[C@@H](C)C2)oc1C ZINC000282868225 178253552 /nfs/dbraw/zinc/25/35/52/178253552.db2.gz VBIVTOPREKRXQF-GMXVVIOVSA-N 0 3 237.343 3.115 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2CCO[C@@H](C)C2)oc1C ZINC000282868227 178258853 /nfs/dbraw/zinc/25/88/53/178258853.db2.gz VBIVTOPREKRXQF-GVXVVHGQSA-N 0 3 237.343 3.115 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2CCO[C@H](C)C2)oc1C ZINC000282868229 178257077 /nfs/dbraw/zinc/25/70/77/178257077.db2.gz VBIVTOPREKRXQF-MDZLAQPJSA-N 0 3 237.343 3.115 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CCO[C@H](C)C2)oc1C ZINC000282868232 178256502 /nfs/dbraw/zinc/25/65/02/178256502.db2.gz VBIVTOPREKRXQF-NTZNESFSSA-N 0 3 237.343 3.115 20 0 BGADHN Cc1cc(Cl)nc(CN[C@@H](C)C(C)C)c1 ZINC000282890901 178071266 /nfs/dbraw/zinc/07/12/66/178071266.db2.gz WEOWNQMSOVUHGZ-JTQLQIEISA-N 0 3 226.751 3.178 20 0 BGADHN Cc1cc(Cl)nc(CN[C@H](C)C(C)C)c1 ZINC000282890904 178071078 /nfs/dbraw/zinc/07/10/78/178071078.db2.gz WEOWNQMSOVUHGZ-SNVBAGLBSA-N 0 3 226.751 3.178 20 0 BGADHN Cc1cc(Cl)nc(CN[C@@H](C)CC2CC2)c1 ZINC000282902791 178071804 /nfs/dbraw/zinc/07/18/04/178071804.db2.gz WWRNSBVTWOPSTP-JTQLQIEISA-N 0 3 238.762 3.322 20 0 BGADHN Cc1cc(Cl)nc(CN[C@H](C)CC2CC2)c1 ZINC000282902794 178071621 /nfs/dbraw/zinc/07/16/21/178071621.db2.gz WWRNSBVTWOPSTP-SNVBAGLBSA-N 0 3 238.762 3.322 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2CCCOCC2)oc1C ZINC000282957300 178257456 /nfs/dbraw/zinc/25/74/56/178257456.db2.gz ZNFVZCOZDJNVDI-AAEUAGOBSA-N 0 3 237.343 3.116 20 0 BGADHN Cc1cc([C@@H](C)N[C@@H]2CCCOCC2)oc1C ZINC000282957305 178231709 /nfs/dbraw/zinc/23/17/09/178231709.db2.gz ZNFVZCOZDJNVDI-DGCLKSJQSA-N 0 3 237.343 3.116 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CCCOCC2)oc1C ZINC000282957310 178253862 /nfs/dbraw/zinc/25/38/62/178253862.db2.gz ZNFVZCOZDJNVDI-WCQYABFASA-N 0 3 237.343 3.116 20 0 BGADHN Cc1cc([C@@H](C)N[C@H]2CCCOCC2)oc1C ZINC000282957315 178232312 /nfs/dbraw/zinc/23/23/12/178232312.db2.gz ZNFVZCOZDJNVDI-YPMHNXCESA-N 0 3 237.343 3.116 20 0 BGADHN CC(C)SCCN1CCc2ccsc2C1 ZINC000282973025 167328801 /nfs/dbraw/zinc/32/88/01/167328801.db2.gz CZQSIBCYEFDCSW-UHFFFAOYSA-N 0 3 241.425 3.248 20 0 BGADHN CC(C)SCCN[C@@H](C)c1cncc(F)c1 ZINC000283074736 167332599 /nfs/dbraw/zinc/33/25/99/167332599.db2.gz KIASMAGSDAMEPM-JTQLQIEISA-N 0 3 242.363 3.013 20 0 BGADHN CC(C)SCCN[C@H](C)c1cncc(F)c1 ZINC000283074737 167331706 /nfs/dbraw/zinc/33/17/06/167331706.db2.gz KIASMAGSDAMEPM-SNVBAGLBSA-N 0 3 242.363 3.013 20 0 BGADHN CC(C)SCCN(C)[C@H](C)c1ccncc1 ZINC000283104692 167323263 /nfs/dbraw/zinc/32/32/63/167323263.db2.gz LYTWIUYKUIFOPQ-GFCCVEGCSA-N 0 3 238.400 3.216 20 0 BGADHN CC(C)SCCN(C)[C@@H](C)c1ccncc1 ZINC000283104695 167322511 /nfs/dbraw/zinc/32/25/11/167322511.db2.gz LYTWIUYKUIFOPQ-LBPRGKRZSA-N 0 3 238.400 3.216 20 0 BGADHN CC(C)SCCN1CCC[C@@H]1c1ccc[nH]1 ZINC000283106528 167324546 /nfs/dbraw/zinc/32/45/46/167324546.db2.gz MDBUENPPJGSVSR-CYBMUJFWSA-N 0 3 238.400 3.293 20 0 BGADHN CC(C)SCCN1CCC[C@H]1c1ccc[nH]1 ZINC000283106530 167326746 /nfs/dbraw/zinc/32/67/46/167326746.db2.gz MDBUENPPJGSVSR-ZDUSSCGKSA-N 0 3 238.400 3.293 20 0 BGADHN CC1(C)SC[C@H]1N[C@H]1CCCc2occc21 ZINC000283159790 188222647 /nfs/dbraw/zinc/22/26/47/188222647.db2.gz IMIYSVDYHFCBTC-CMPLNLGQSA-N 0 3 237.368 3.141 20 0 BGADHN CC1(C)SC[C@@H]1N[C@H]1CCCc2occc21 ZINC000283159793 386809651 /nfs/dbraw/zinc/80/96/51/386809651.db2.gz IMIYSVDYHFCBTC-JQWIXIFHSA-N 0 3 237.368 3.141 20 0 BGADHN CC1(C)SC[C@@H]1N[C@@H]1CCCc2occc21 ZINC000283159796 188049264 /nfs/dbraw/zinc/04/92/64/188049264.db2.gz IMIYSVDYHFCBTC-PWSUYJOCSA-N 0 3 237.368 3.141 20 0 BGADHN CC1(C)SC[C@H]1N[C@@H]1CCCc2occc21 ZINC000283159800 187360868 /nfs/dbraw/zinc/36/08/68/187360868.db2.gz IMIYSVDYHFCBTC-ZYHUDNBSSA-N 0 3 237.368 3.141 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H]2CSC2(C)C)o1 ZINC000283179808 386818520 /nfs/dbraw/zinc/81/85/20/386818520.db2.gz JTYGCOIQXMBQRR-GXSJLCMTSA-N 0 3 225.357 3.133 20 0 BGADHN Cc1ccc([C@@H](C)N[C@H]2CSC2(C)C)o1 ZINC000283179811 386818239 /nfs/dbraw/zinc/81/82/39/386818239.db2.gz JTYGCOIQXMBQRR-KOLCDFICSA-N 0 3 225.357 3.133 20 0 BGADHN Cc1ccc([C@@H](C)N[C@@H]2CSC2(C)C)o1 ZINC000283179813 386818833 /nfs/dbraw/zinc/81/88/33/386818833.db2.gz JTYGCOIQXMBQRR-MWLCHTKSSA-N 0 3 225.357 3.133 20 0 BGADHN Cc1ccc([C@H](C)N[C@H]2CSC2(C)C)o1 ZINC000283179816 386818250 /nfs/dbraw/zinc/81/82/50/386818250.db2.gz JTYGCOIQXMBQRR-ONGXEEELSA-N 0 3 225.357 3.133 20 0 BGADHN Cc1ccc([C@@H](C)NCCSC(C)C)o1 ZINC000283201820 386827084 /nfs/dbraw/zinc/82/70/84/386827084.db2.gz RKWCOFXMGNBCJF-LLVKDONJSA-N 0 3 227.373 3.380 20 0 BGADHN Cc1ccc([C@H](C)NCCSC(C)C)o1 ZINC000283201823 386827147 /nfs/dbraw/zinc/82/71/47/386827147.db2.gz RKWCOFXMGNBCJF-NSHDSACASA-N 0 3 227.373 3.380 20 0 BGADHN Cc1ccncc1[C@@H](C)NCCSC(C)C ZINC000283203927 386827340 /nfs/dbraw/zinc/82/73/40/386827340.db2.gz ROIPSWSMCAWIGS-GFCCVEGCSA-N 0 3 238.400 3.182 20 0 BGADHN Cc1ccncc1[C@H](C)NCCSC(C)C ZINC000283203930 386826026 /nfs/dbraw/zinc/82/60/26/386826026.db2.gz ROIPSWSMCAWIGS-LBPRGKRZSA-N 0 3 238.400 3.182 20 0 BGADHN CCN(CCSC(C)C)Cc1ccccn1 ZINC000283216885 385812901 /nfs/dbraw/zinc/81/29/01/385812901.db2.gz SMNRJBIYQPHMBD-UHFFFAOYSA-N 0 3 238.400 3.045 20 0 BGADHN CC(C)SCCN(C)[C@H](C)c1cccnc1 ZINC000283218481 167323121 /nfs/dbraw/zinc/32/31/21/167323121.db2.gz SPPTYVKNWKLQLF-GFCCVEGCSA-N 0 3 238.400 3.216 20 0 BGADHN CC(C)SCCN(C)[C@@H](C)c1cccnc1 ZINC000283218483 167323284 /nfs/dbraw/zinc/32/32/84/167323284.db2.gz SPPTYVKNWKLQLF-LBPRGKRZSA-N 0 3 238.400 3.216 20 0 BGADHN CCN(CCSC(C)C)Cc1ccncc1 ZINC000283234954 385814762 /nfs/dbraw/zinc/81/47/62/385814762.db2.gz UIYPKTNFKLGNMN-UHFFFAOYSA-N 0 3 238.400 3.045 20 0 BGADHN CC(C)SCCNC1(c2ccccc2)CC1 ZINC000283248948 167330061 /nfs/dbraw/zinc/33/00/61/167330061.db2.gz VGILQYGTXKLVBB-UHFFFAOYSA-N 0 3 235.396 3.407 20 0 BGADHN CO[C@H](CN(C)C1CC1)c1ccc(Cl)cc1 ZINC000283351818 385817582 /nfs/dbraw/zinc/81/75/82/385817582.db2.gz BHTDSPDGXUAURL-CYBMUJFWSA-N 0 3 239.746 3.122 20 0 BGADHN CO[C@@H](CN(C)C1CC1)c1ccc(Cl)cc1 ZINC000283351823 385817734 /nfs/dbraw/zinc/81/77/34/385817734.db2.gz BHTDSPDGXUAURL-ZDUSSCGKSA-N 0 3 239.746 3.122 20 0 BGADHN CC(C)SCCN(C)[C@H](C)c1ccco1 ZINC000283352138 167324009 /nfs/dbraw/zinc/32/40/09/167324009.db2.gz BJGIHIBWSWCMCJ-LLVKDONJSA-N 0 3 227.373 3.414 20 0 BGADHN CC(C)SCCN(C)[C@@H](C)c1ccco1 ZINC000283352142 167324143 /nfs/dbraw/zinc/32/41/43/167324143.db2.gz BJGIHIBWSWCMCJ-NSHDSACASA-N 0 3 227.373 3.414 20 0 BGADHN COC[C@@H](C)N[C@H](C)c1ccccc1SC ZINC000283356760 398183837 /nfs/dbraw/zinc/18/38/37/398183837.db2.gz BUPZYFOQGINMFJ-GHMZBOCLSA-N 0 3 239.384 3.094 20 0 BGADHN COC[C@H](C)N[C@H](C)c1ccccc1SC ZINC000283356766 398183520 /nfs/dbraw/zinc/18/35/20/398183520.db2.gz BUPZYFOQGINMFJ-WDEREUQCSA-N 0 3 239.384 3.094 20 0 BGADHN C[C@@H](N[C@@H]1CSC1(C)C)c1ccsc1 ZINC000283487191 386436477 /nfs/dbraw/zinc/43/64/77/386436477.db2.gz XRKIEJCBTGBMMT-PSASIEDQSA-N 0 3 227.398 3.293 20 0 BGADHN C[C@@H](N[C@H]1CSC1(C)C)c1ccsc1 ZINC000283487193 398073966 /nfs/dbraw/zinc/07/39/66/398073966.db2.gz XRKIEJCBTGBMMT-SCZZXKLOSA-N 0 3 227.398 3.293 20 0 BGADHN C[C@H](N[C@@H]1CSC1(C)C)c1ccsc1 ZINC000283487194 386436099 /nfs/dbraw/zinc/43/60/99/386436099.db2.gz XRKIEJCBTGBMMT-WCBMZHEXSA-N 0 3 227.398 3.293 20 0 BGADHN C[C@H](N[C@H]1CSC1(C)C)c1ccsc1 ZINC000283487196 386437933 /nfs/dbraw/zinc/43/79/33/386437933.db2.gz XRKIEJCBTGBMMT-WPRPVWTQSA-N 0 3 227.398 3.293 20 0 BGADHN C[C@H](c1cccnc1)N(C)CC1(C)CCC1 ZINC000283639485 177045654 /nfs/dbraw/zinc/04/56/54/177045654.db2.gz BVUVEIIJCSQONU-GFCCVEGCSA-N 0 3 218.344 3.265 20 0 BGADHN C[C@@H](c1cccnc1)N(C)CC1(C)CCC1 ZINC000283639487 176028531 /nfs/dbraw/zinc/02/85/31/176028531.db2.gz BVUVEIIJCSQONU-LBPRGKRZSA-N 0 3 218.344 3.265 20 0 BGADHN CC(C)(NCC1(C)CCC1)c1nccs1 ZINC000283666672 168039219 /nfs/dbraw/zinc/03/92/19/168039219.db2.gz DNWRJURLOJREAB-UHFFFAOYSA-N 0 3 224.373 3.158 20 0 BGADHN CC(C)SCCN(C)Cc1cccs1 ZINC000283703956 167323608 /nfs/dbraw/zinc/32/36/08/167323608.db2.gz YPCCACWIFPGYJA-UHFFFAOYSA-N 0 3 229.414 3.322 20 0 BGADHN CC(C)=CCCNCc1cn2cc(C)ccc2n1 ZINC000283793151 188385899 /nfs/dbraw/zinc/38/58/99/188385899.db2.gz AITXEFIGZCGYQD-UHFFFAOYSA-N 0 3 243.354 3.089 20 0 BGADHN COCC1(NCc2sccc2Cl)CCC1 ZINC000283802212 174110456 /nfs/dbraw/zinc/11/04/56/174110456.db2.gz AQJFZSBEZRADTB-UHFFFAOYSA-N 0 3 245.775 3.060 20 0 BGADHN COCC1(NCc2cc3ccccc3o2)CCC1 ZINC000283833290 174110123 /nfs/dbraw/zinc/11/01/23/174110123.db2.gz FETQXBHBANWYJR-UHFFFAOYSA-N 0 3 245.322 3.092 20 0 BGADHN CCN(Cc1cnn(C)c1)[C@H]1C=CCCCCC1 ZINC000283838913 351985013 /nfs/dbraw/zinc/98/50/13/351985013.db2.gz HCQHWHXWZRGTDF-HNNXBMFYSA-N 0 3 247.386 3.131 20 0 BGADHN CCN(Cc1cnn(C)c1)[C@@H]1C=CCCCCC1 ZINC000283838917 351984929 /nfs/dbraw/zinc/98/49/29/351984929.db2.gz HCQHWHXWZRGTDF-OAHLLOKOSA-N 0 3 247.386 3.131 20 0 BGADHN COCC1(NCc2ccc([C@H]3C[C@@H]3C)o2)CCC1 ZINC000283873217 174109431 /nfs/dbraw/zinc/10/94/31/174109431.db2.gz GULHKVFMWORBBW-AAEUAGOBSA-N 0 3 249.354 3.062 20 0 BGADHN COCC1(NCc2ccc([C@@H]3C[C@H]3C)o2)CCC1 ZINC000283873220 174109848 /nfs/dbraw/zinc/10/98/48/174109848.db2.gz GULHKVFMWORBBW-DGCLKSJQSA-N 0 3 249.354 3.062 20 0 BGADHN COCC1(NCc2ccc([C@@H]3C[C@@H]3C)o2)CCC1 ZINC000283873224 174109519 /nfs/dbraw/zinc/10/95/19/174109519.db2.gz GULHKVFMWORBBW-WCQYABFASA-N 0 3 249.354 3.062 20 0 BGADHN COCC1(NCc2ccc([C@H]3C[C@H]3C)o2)CCC1 ZINC000283873229 174109938 /nfs/dbraw/zinc/10/99/38/174109938.db2.gz GULHKVFMWORBBW-YPMHNXCESA-N 0 3 249.354 3.062 20 0 BGADHN FCCCCCN(Cc1cccnc1)C1CC1 ZINC000283886225 385838552 /nfs/dbraw/zinc/83/85/52/385838552.db2.gz ATUWUYGNLWJUFN-UHFFFAOYSA-N 0 3 236.334 3.186 20 0 BGADHN C[C@H](c1ccncc1)N(C)CCCCCF ZINC000283886511 177050573 /nfs/dbraw/zinc/05/05/73/177050573.db2.gz AVQYQXIUUXBEOB-GFCCVEGCSA-N 0 3 224.323 3.214 20 0 BGADHN C[C@@H](c1ccncc1)N(C)CCCCCF ZINC000283886516 176034128 /nfs/dbraw/zinc/03/41/28/176034128.db2.gz AVQYQXIUUXBEOB-LBPRGKRZSA-N 0 3 224.323 3.214 20 0 BGADHN CCc1cnc(CN[C@@H]2CC=C(C)CC2)s1 ZINC000283900853 351081515 /nfs/dbraw/zinc/08/15/15/351081515.db2.gz CXUDNTKBAATTDD-LLVKDONJSA-N 0 3 236.384 3.294 20 0 BGADHN CCc1cnc(CN[C@H]2CC=C(C)CC2)s1 ZINC000283900859 351081501 /nfs/dbraw/zinc/08/15/01/351081501.db2.gz CXUDNTKBAATTDD-NSHDSACASA-N 0 3 236.384 3.294 20 0 BGADHN CCN(CCCCCF)Cc1ccncc1 ZINC000283905048 385838699 /nfs/dbraw/zinc/83/86/99/385838699.db2.gz BPDBNKKPZVPJNE-UHFFFAOYSA-N 0 3 224.323 3.043 20 0 BGADHN CCC1(NCc2cn3cc(C)ccc3n2)CCC1 ZINC000283921756 385840977 /nfs/dbraw/zinc/84/09/77/385840977.db2.gz LDHZQWXYLQPHPP-UHFFFAOYSA-N 0 3 243.354 3.065 20 0 BGADHN C[C@H](c1ccccn1)N(C)CCCCCF ZINC000283929135 177042610 /nfs/dbraw/zinc/04/26/10/177042610.db2.gz CMUBYHTZIQIQCW-GFCCVEGCSA-N 0 3 224.323 3.214 20 0 BGADHN C[C@@H](c1ccccn1)N(C)CCCCCF ZINC000283929141 176026294 /nfs/dbraw/zinc/02/62/94/176026294.db2.gz CMUBYHTZIQIQCW-LBPRGKRZSA-N 0 3 224.323 3.214 20 0 BGADHN CC(C)C[C@@H](C)CN(C)Cc1ccncc1 ZINC000283951829 385841760 /nfs/dbraw/zinc/84/17/60/385841760.db2.gz IBMQYJMWWCBWJY-CYBMUJFWSA-N 0 3 220.360 3.196 20 0 BGADHN CC(C)C[C@H](C)CN(C)Cc1ccncc1 ZINC000283951830 188385458 /nfs/dbraw/zinc/38/54/58/188385458.db2.gz IBMQYJMWWCBWJY-ZDUSSCGKSA-N 0 3 220.360 3.196 20 0 BGADHN Cc1ncc(CN(C)CCCCCF)s1 ZINC000283963383 180138667 /nfs/dbraw/zinc/13/86/67/180138667.db2.gz FBGCXJGQDVFXPG-UHFFFAOYSA-N 0 3 230.352 3.023 20 0 BGADHN CN(CCCCCF)Cc1cc(Cl)cn1C ZINC000284012731 385844725 /nfs/dbraw/zinc/84/47/25/385844725.db2.gz HHTUNVXSPWUYBF-UHFFFAOYSA-N 0 3 246.757 3.250 20 0 BGADHN FCCCCCN1Cc2ccccc2C1 ZINC000284024958 385847628 /nfs/dbraw/zinc/84/76/28/385847628.db2.gz IBOGFPRRROVHDI-UHFFFAOYSA-N 0 3 207.292 3.142 20 0 BGADHN COCC1(NCc2cc(Cl)cs2)CCC1 ZINC000284029729 174109476 /nfs/dbraw/zinc/10/94/76/174109476.db2.gz OCXVTDFSJVPLJB-UHFFFAOYSA-N 0 3 245.775 3.060 20 0 BGADHN Cc1csc(C(C)(C)NCCCCCF)n1 ZINC000284035409 385727012 /nfs/dbraw/zinc/72/70/12/385727012.db2.gz IQWILPDGTRNODE-UHFFFAOYSA-N 0 3 244.379 3.416 20 0 BGADHN COC[C@@H](NCCCCCF)c1ccc(C)o1 ZINC000284037339 385847259 /nfs/dbraw/zinc/84/72/59/385847259.db2.gz IRRSWBXQRNMSQV-GFCCVEGCSA-N 0 3 243.322 3.005 20 0 BGADHN COC[C@H](NCCCCCF)c1ccc(C)o1 ZINC000284037343 385847400 /nfs/dbraw/zinc/84/74/00/385847400.db2.gz IRRSWBXQRNMSQV-LBPRGKRZSA-N 0 3 243.322 3.005 20 0 BGADHN Cc1ccc2nc(CNC3(C)CCCC3)cn2c1 ZINC000284039176 385847568 /nfs/dbraw/zinc/84/75/68/385847568.db2.gz RODNJZOXEGXEPC-UHFFFAOYSA-N 0 3 243.354 3.065 20 0 BGADHN CCN(CCCCCF)Cc1ccccn1 ZINC000284039582 385846701 /nfs/dbraw/zinc/84/67/01/385846701.db2.gz IWJHODBPFMMYLC-UHFFFAOYSA-N 0 3 224.323 3.043 20 0 BGADHN FCCCCCN1CCc2ccccc2C1 ZINC000284053403 385847829 /nfs/dbraw/zinc/84/78/29/385847829.db2.gz JROGYJFBZMXMHS-UHFFFAOYSA-N 0 3 221.319 3.185 20 0 BGADHN Cc1cnc(C(C)(C)NCCCCCF)s1 ZINC000284053442 386012932 /nfs/dbraw/zinc/01/29/32/386012932.db2.gz JRXVDXDQGJLMAZ-UHFFFAOYSA-N 0 3 244.379 3.416 20 0 BGADHN COc1ccccc1CN(C)CCCCCF ZINC000284058505 175324200 /nfs/dbraw/zinc/32/42/00/175324200.db2.gz JZHOVSGBTOWNLP-UHFFFAOYSA-N 0 3 239.334 3.267 20 0 BGADHN COC[C@@H](NCC1(C)CCC1)c1ccc(C)o1 ZINC000284062918 385849236 /nfs/dbraw/zinc/84/92/36/385849236.db2.gz QLZOBTAQEMQZRG-GFCCVEGCSA-N 0 3 237.343 3.055 20 0 BGADHN COC[C@H](NCC1(C)CCC1)c1ccc(C)o1 ZINC000284062921 385848765 /nfs/dbraw/zinc/84/87/65/385848765.db2.gz QLZOBTAQEMQZRG-LBPRGKRZSA-N 0 3 237.343 3.055 20 0 BGADHN FCCCCCN1CCC[C@H]1c1ccncc1 ZINC000284121940 491112429 /nfs/dbraw/zinc/11/24/29/491112429.db2.gz NSNNKMKAFASYKZ-AWEZNQCLSA-N 0 3 236.334 3.358 20 0 BGADHN FCCCCCN1CCC[C@@H]1c1ccncc1 ZINC000284121944 491112388 /nfs/dbraw/zinc/11/23/88/491112388.db2.gz NSNNKMKAFASYKZ-CQSZACIVSA-N 0 3 236.334 3.358 20 0 BGADHN Cc1ncsc1CN(C)CCCCCF ZINC000284124324 180312168 /nfs/dbraw/zinc/31/21/68/180312168.db2.gz NWCZKEANZSJDSZ-UHFFFAOYSA-N 0 3 230.352 3.023 20 0 BGADHN CN(CCCCCF)Cc1ccc(Cl)nc1 ZINC000284131449 172694355 /nfs/dbraw/zinc/69/43/55/172694355.db2.gz OFLOWUBFXQZCSI-UHFFFAOYSA-N 0 3 244.741 3.307 20 0 BGADHN Cc1cn[nH]c1CN[C@H](C)c1cccc(Cl)c1 ZINC000284132915 398077125 /nfs/dbraw/zinc/07/71/25/398077125.db2.gz SBCOYUGORUPKSY-SNVBAGLBSA-N 0 3 249.745 3.222 20 0 BGADHN Cc1csc(CN[C@@H]2CC=C(C)CC2)n1 ZINC000284133218 168118591 /nfs/dbraw/zinc/11/85/91/168118591.db2.gz OIEUSSHMHRRDMU-LLVKDONJSA-N 0 3 222.357 3.040 20 0 BGADHN Cc1csc(CN[C@H]2CC=C(C)CC2)n1 ZINC000284133222 168120368 /nfs/dbraw/zinc/12/03/68/168120368.db2.gz OIEUSSHMHRRDMU-NSHDSACASA-N 0 3 222.357 3.040 20 0 BGADHN COCC1(NCc2ccc(Cl)s2)CCC1 ZINC000284145596 174109747 /nfs/dbraw/zinc/10/97/47/174109747.db2.gz VIIYWPWSJNAMTE-UHFFFAOYSA-N 0 3 245.775 3.060 20 0 BGADHN CC1(C)CC[C@@H]1NCc1ccc(Cl)nc1 ZINC000284150929 359283526 /nfs/dbraw/zinc/28/35/26/359283526.db2.gz DOYSMEZFVDXUSZ-JTQLQIEISA-N 0 3 224.735 3.013 20 0 BGADHN CC1(C)CC[C@H]1NCc1ccc(Cl)nc1 ZINC000284150931 387146964 /nfs/dbraw/zinc/14/69/64/387146964.db2.gz DOYSMEZFVDXUSZ-SNVBAGLBSA-N 0 3 224.735 3.013 20 0 BGADHN FCCCCCN(Cc1ccccn1)C1CC1 ZINC000284152910 385853191 /nfs/dbraw/zinc/85/31/91/385853191.db2.gz PQODQECTINCFQR-UHFFFAOYSA-N 0 3 236.334 3.186 20 0 BGADHN Cc1cnc([C@H](C)NCCCCCF)s1 ZINC000284170360 387152013 /nfs/dbraw/zinc/15/20/13/387152013.db2.gz QSODRLDZUSAZCJ-JTQLQIEISA-N 0 3 230.352 3.242 20 0 BGADHN Cc1cnc([C@@H](C)NCCCCCF)s1 ZINC000284170364 387152120 /nfs/dbraw/zinc/15/21/20/387152120.db2.gz QSODRLDZUSAZCJ-SNVBAGLBSA-N 0 3 230.352 3.242 20 0 BGADHN CN(CCc1ccccn1)[C@H]1C=CCCCCC1 ZINC000284173702 385855184 /nfs/dbraw/zinc/85/51/84/385855184.db2.gz XIVOFZHURWYETR-INIZCTEOSA-N 0 3 244.382 3.445 20 0 BGADHN CN(CCc1ccccn1)[C@@H]1C=CCCCCC1 ZINC000284173705 385856060 /nfs/dbraw/zinc/85/60/60/385856060.db2.gz XIVOFZHURWYETR-MRXNPFEDSA-N 0 3 244.382 3.445 20 0 BGADHN CC(C)(C)c1ncc(CNCCC2(C)CC2)cn1 ZINC000284178786 168019752 /nfs/dbraw/zinc/01/97/52/168019752.db2.gz AKGMTVNYWCQQPY-UHFFFAOYSA-N 0 3 247.386 3.054 20 0 BGADHN CCC(C)(C)N(C)Cc1cnc(C(C)(C)C)nc1 ZINC000284185933 168288250 /nfs/dbraw/zinc/28/82/50/168288250.db2.gz AUXKMORDYHEVCU-UHFFFAOYSA-N 0 3 249.402 3.395 20 0 BGADHN CCN(Cc1cnc(C(C)(C)C)nc1)CC(C)C ZINC000284185958 351993981 /nfs/dbraw/zinc/99/39/81/351993981.db2.gz AVKVVTYQYUUXKN-UHFFFAOYSA-N 0 3 249.402 3.252 20 0 BGADHN CC(C)(NCCCCCF)c1nccs1 ZINC000284205962 188222606 /nfs/dbraw/zinc/22/26/06/188222606.db2.gz SRFBPODQTWHUTN-UHFFFAOYSA-N 0 3 230.352 3.108 20 0 BGADHN CN(CCC1CC1)Cc1cnc(C(C)(C)C)nc1 ZINC000284208706 385857973 /nfs/dbraw/zinc/85/79/73/385857973.db2.gz CBBFTXAKCZEAHG-UHFFFAOYSA-N 0 3 247.386 3.006 20 0 BGADHN CC(C)=CCCNCc1cnc(C(C)(C)C)nc1 ZINC000284212986 387164810 /nfs/dbraw/zinc/16/48/10/387164810.db2.gz CIGJYZWVXHYGFU-UHFFFAOYSA-N 0 3 247.386 3.220 20 0 BGADHN C[C@H](c1cccnc1)N(C)CCCCCF ZINC000284213032 177045264 /nfs/dbraw/zinc/04/52/64/177045264.db2.gz TVGZCUQQEYMSBU-GFCCVEGCSA-N 0 3 224.323 3.214 20 0 BGADHN C[C@@H](c1cccnc1)N(C)CCCCCF ZINC000284213036 176029565 /nfs/dbraw/zinc/02/95/65/176029565.db2.gz TVGZCUQQEYMSBU-LBPRGKRZSA-N 0 3 224.323 3.214 20 0 BGADHN CCc1nc([C@H](C)NCCCCCF)cs1 ZINC000284215478 172005778 /nfs/dbraw/zinc/00/57/78/172005778.db2.gz UAVAHYTWLRDCJA-JTQLQIEISA-N 0 3 244.379 3.496 20 0 BGADHN CCc1nc([C@@H](C)NCCCCCF)cs1 ZINC000284215480 172002044 /nfs/dbraw/zinc/00/20/44/172002044.db2.gz UAVAHYTWLRDCJA-SNVBAGLBSA-N 0 3 244.379 3.496 20 0 BGADHN FCCCCCN(Cc1ccncc1)C1CC1 ZINC000284221670 385856930 /nfs/dbraw/zinc/85/69/30/385856930.db2.gz UKLNFLQFWJCVRC-UHFFFAOYSA-N 0 3 236.334 3.186 20 0 BGADHN CCCNCc1ccc(Sc2ccccn2)o1 ZINC000284231045 169267698 /nfs/dbraw/zinc/26/76/98/169267698.db2.gz YYHYEHVENKWHHG-UHFFFAOYSA-N 0 3 248.351 3.325 20 0 BGADHN Cc1occc1CN(C)CCCCCF ZINC000284244287 385857093 /nfs/dbraw/zinc/85/70/93/385857093.db2.gz VXOBFKWDNQJGQX-UHFFFAOYSA-N 0 3 213.296 3.160 20 0 BGADHN CCC[C@@H](C)N(C)Cc1cnc(C(C)(C)C)nc1 ZINC000284252115 169364925 /nfs/dbraw/zinc/36/49/25/169364925.db2.gz FRKWBJRZIOUJKW-GFCCVEGCSA-N 0 3 249.402 3.395 20 0 BGADHN CCC[C@H](C)N(C)Cc1cnc(C(C)(C)C)nc1 ZINC000284252122 385857558 /nfs/dbraw/zinc/85/75/58/385857558.db2.gz FRKWBJRZIOUJKW-LBPRGKRZSA-N 0 3 249.402 3.395 20 0 BGADHN COCC[C@@H](NCCCCCF)c1ccco1 ZINC000284253218 174393964 /nfs/dbraw/zinc/39/39/64/174393964.db2.gz WKYUUVUBOZURPE-GFCCVEGCSA-N 0 3 243.322 3.087 20 0 BGADHN COCC[C@H](NCCCCCF)c1ccco1 ZINC000284253220 385856862 /nfs/dbraw/zinc/85/68/62/385856862.db2.gz WKYUUVUBOZURPE-LBPRGKRZSA-N 0 3 243.322 3.087 20 0 BGADHN COC[C@H](N[C@H]1CCC1(C)C)c1ccc(C)o1 ZINC000284261431 385859821 /nfs/dbraw/zinc/85/98/21/385859821.db2.gz IZDUATLZGVHURO-AAEUAGOBSA-N 0 3 237.343 3.054 20 0 BGADHN COC[C@@H](N[C@@H]1CCC1(C)C)c1ccc(C)o1 ZINC000284261433 385859896 /nfs/dbraw/zinc/85/98/96/385859896.db2.gz IZDUATLZGVHURO-DGCLKSJQSA-N 0 3 237.343 3.054 20 0 BGADHN COC[C@H](N[C@@H]1CCC1(C)C)c1ccc(C)o1 ZINC000284261436 385859168 /nfs/dbraw/zinc/85/91/68/385859168.db2.gz IZDUATLZGVHURO-WCQYABFASA-N 0 3 237.343 3.054 20 0 BGADHN COC[C@@H](N[C@H]1CCC1(C)C)c1ccc(C)o1 ZINC000284261437 385860450 /nfs/dbraw/zinc/86/04/50/385860450.db2.gz IZDUATLZGVHURO-YPMHNXCESA-N 0 3 237.343 3.054 20 0 BGADHN CC[C@@](C)(NCCCCCF)c1nccs1 ZINC000284261895 171174886 /nfs/dbraw/zinc/17/48/86/171174886.db2.gz WWWWEIBMHOWOHT-GFCCVEGCSA-N 0 3 244.379 3.498 20 0 BGADHN CC[C@](C)(NCCCCCF)c1nccs1 ZINC000284261898 387169531 /nfs/dbraw/zinc/16/95/31/387169531.db2.gz WWWWEIBMHOWOHT-LBPRGKRZSA-N 0 3 244.379 3.498 20 0 BGADHN COCC[C@H](N[C@H]1CCC1(C)C)c1ccco1 ZINC000284270048 385860035 /nfs/dbraw/zinc/86/00/35/385860035.db2.gz JHZNFCOIKHPEME-AAEUAGOBSA-N 0 3 237.343 3.135 20 0 BGADHN COCC[C@@H](N[C@@H]1CCC1(C)C)c1ccco1 ZINC000284270052 174395242 /nfs/dbraw/zinc/39/52/42/174395242.db2.gz JHZNFCOIKHPEME-DGCLKSJQSA-N 0 3 237.343 3.135 20 0 BGADHN COCC[C@H](N[C@@H]1CCC1(C)C)c1ccco1 ZINC000284270057 385860614 /nfs/dbraw/zinc/86/06/14/385860614.db2.gz JHZNFCOIKHPEME-WCQYABFASA-N 0 3 237.343 3.135 20 0 BGADHN COCC[C@@H](N[C@H]1CCC1(C)C)c1ccco1 ZINC000284270059 174395964 /nfs/dbraw/zinc/39/59/64/174395964.db2.gz JHZNFCOIKHPEME-YPMHNXCESA-N 0 3 237.343 3.135 20 0 BGADHN COC[C@H](N[C@H]1CC=C(C)CC1)c1ccc(C)o1 ZINC000284271255 385859964 /nfs/dbraw/zinc/85/99/64/385859964.db2.gz WWGFGYNJURGRCE-KBPBESRZSA-N 0 3 249.354 3.364 20 0 BGADHN COC[C@H](N[C@@H]1CC=C(C)CC1)c1ccc(C)o1 ZINC000284271257 385858609 /nfs/dbraw/zinc/85/86/09/385858609.db2.gz WWGFGYNJURGRCE-KGLIPLIRSA-N 0 3 249.354 3.364 20 0 BGADHN COC[C@@H](N[C@H]1CC=C(C)CC1)c1ccc(C)o1 ZINC000284271261 385859710 /nfs/dbraw/zinc/85/97/10/385859710.db2.gz WWGFGYNJURGRCE-UONOGXRCSA-N 0 3 249.354 3.364 20 0 BGADHN COC[C@@H](N[C@@H]1CC=C(C)CC1)c1ccc(C)o1 ZINC000284271265 385860430 /nfs/dbraw/zinc/86/04/30/385860430.db2.gz WWGFGYNJURGRCE-ZIAGYGMSSA-N 0 3 249.354 3.364 20 0 BGADHN CCCCCNCc1cnc(C(C)(C)C)nc1 ZINC000284273801 386446714 /nfs/dbraw/zinc/44/67/14/386446714.db2.gz HCFKTQCJFZQBBE-UHFFFAOYSA-N 0 3 235.375 3.054 20 0 BGADHN CCc1noc(CC)c1CN[C@@H]1CC=C(C)CC1 ZINC000284275230 172083905 /nfs/dbraw/zinc/08/39/05/172083905.db2.gz XCARKYJCUFVDPT-GFCCVEGCSA-N 0 3 248.370 3.388 20 0 BGADHN CCc1noc(CC)c1CN[C@H]1CC=C(C)CC1 ZINC000284275233 172083010 /nfs/dbraw/zinc/08/30/10/172083010.db2.gz XCARKYJCUFVDPT-LBPRGKRZSA-N 0 3 248.370 3.388 20 0 BGADHN CO[C@@H](CN1CC=C(C)CC1)c1ccccc1 ZINC000284275531 385859428 /nfs/dbraw/zinc/85/94/28/385859428.db2.gz FAKZFPHYIWGUSE-HNNXBMFYSA-N 0 3 231.339 3.026 20 0 BGADHN CO[C@H](CN1CC=C(C)CC1)c1ccccc1 ZINC000284275545 385859142 /nfs/dbraw/zinc/85/91/42/385859142.db2.gz FAKZFPHYIWGUSE-OAHLLOKOSA-N 0 3 231.339 3.026 20 0 BGADHN CC(C)C[C@@H](C)CN(C)Cc1ccccn1 ZINC000284284131 385860174 /nfs/dbraw/zinc/86/01/74/385860174.db2.gz TXELGCFJQANAMD-CYBMUJFWSA-N 0 3 220.360 3.196 20 0 BGADHN CC(C)C[C@H](C)CN(C)Cc1ccccn1 ZINC000284284132 385859465 /nfs/dbraw/zinc/85/94/65/385859465.db2.gz TXELGCFJQANAMD-ZDUSSCGKSA-N 0 3 220.360 3.196 20 0 BGADHN FCCCCCN1CCc2ccsc2C1 ZINC000284286858 385859863 /nfs/dbraw/zinc/85/98/63/385859863.db2.gz YJKNWPQECFIPIM-UHFFFAOYSA-N 0 3 227.348 3.246 20 0 BGADHN CC(C)CCCNCc1cnc(C(C)(C)C)nc1 ZINC000284287019 385860018 /nfs/dbraw/zinc/86/00/18/385860018.db2.gz HWLQVWPURTYWCN-UHFFFAOYSA-N 0 3 249.402 3.300 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H]2CCC2(C)C)o1 ZINC000284288205 387175523 /nfs/dbraw/zinc/17/55/23/387175523.db2.gz KDVNRWBCOBRLON-CMPLNLGQSA-N 0 3 207.317 3.427 20 0 BGADHN Cc1ccc([C@H](C)N[C@H]2CCC2(C)C)o1 ZINC000284288207 387176062 /nfs/dbraw/zinc/17/60/62/387176062.db2.gz KDVNRWBCOBRLON-JQWIXIFHSA-N 0 3 207.317 3.427 20 0 BGADHN Cc1ccc([C@@H](C)N[C@H]2CCC2(C)C)o1 ZINC000284288210 387175858 /nfs/dbraw/zinc/17/58/58/387175858.db2.gz KDVNRWBCOBRLON-PWSUYJOCSA-N 0 3 207.317 3.427 20 0 BGADHN Cc1ccc([C@@H](C)N[C@@H]2CCC2(C)C)o1 ZINC000284288213 387175708 /nfs/dbraw/zinc/17/57/08/387175708.db2.gz KDVNRWBCOBRLON-ZYHUDNBSSA-N 0 3 207.317 3.427 20 0 BGADHN Cc1ccc(CN(C)CCCCCF)o1 ZINC000284297689 188206925 /nfs/dbraw/zinc/20/69/25/188206925.db2.gz YXFGKPJNBPRDCS-UHFFFAOYSA-N 0 3 213.296 3.160 20 0 BGADHN Cc1cc(Cl)nc(CN[C@@H]2CCC2(C)C)c1 ZINC000284299545 178071136 /nfs/dbraw/zinc/07/11/36/178071136.db2.gz KSFMVYDCHURNCI-LLVKDONJSA-N 0 3 238.762 3.322 20 0 BGADHN Cc1cc(Cl)nc(CN[C@H]2CCC2(C)C)c1 ZINC000284299551 178071402 /nfs/dbraw/zinc/07/14/02/178071402.db2.gz KSFMVYDCHURNCI-NSHDSACASA-N 0 3 238.762 3.322 20 0 BGADHN C[C@@H]1CCCCN1Cc1cnc(C(C)(C)C)nc1 ZINC000284311243 176073911 /nfs/dbraw/zinc/07/39/11/176073911.db2.gz JLLQRRQSSZJFRB-GFCCVEGCSA-N 0 3 247.386 3.149 20 0 BGADHN C[C@H]1CCCCN1Cc1cnc(C(C)(C)C)nc1 ZINC000284311245 177076869 /nfs/dbraw/zinc/07/68/69/177076869.db2.gz JLLQRRQSSZJFRB-LBPRGKRZSA-N 0 3 247.386 3.149 20 0 BGADHN CCC(C)(C)CNCc1cnc(C(C)(C)C)nc1 ZINC000284319032 168281593 /nfs/dbraw/zinc/28/15/93/168281593.db2.gz JXJUJVUCXPZMII-UHFFFAOYSA-N 0 3 249.402 3.300 20 0 BGADHN CC(C)(C)c1ncc(CN2CCC(C)(C)C2)cn1 ZINC000284330415 351995216 /nfs/dbraw/zinc/99/52/16/351995216.db2.gz KSFQGRDYAIQSGM-UHFFFAOYSA-N 0 3 247.386 3.006 20 0 BGADHN Cc1nc([C@H](C)N[C@@H]2CCC2(C)C)cs1 ZINC000284331607 180051600 /nfs/dbraw/zinc/05/16/00/180051600.db2.gz MHSDJICEWCKSOJ-GZMMTYOYSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1nc([C@@H](C)N[C@H]2CCC2(C)C)cs1 ZINC000284331609 180038250 /nfs/dbraw/zinc/03/82/50/180038250.db2.gz MHSDJICEWCKSOJ-KCJUWKMLSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1nc([C@H](C)N[C@H]2CCC2(C)C)cs1 ZINC000284331612 180052001 /nfs/dbraw/zinc/05/20/01/180052001.db2.gz MHSDJICEWCKSOJ-KWQFWETISA-N 0 3 224.373 3.291 20 0 BGADHN Cc1nc([C@@H](C)N[C@@H]2CCC2(C)C)cs1 ZINC000284331614 180036744 /nfs/dbraw/zinc/03/67/44/180036744.db2.gz MHSDJICEWCKSOJ-LDYMZIIASA-N 0 3 224.373 3.291 20 0 BGADHN CCCCN(C)Cc1cnc(C(C)(C)C)nc1 ZINC000284332198 385864502 /nfs/dbraw/zinc/86/45/02/385864502.db2.gz KUOUJHILHHKSHK-UHFFFAOYSA-N 0 3 235.375 3.006 20 0 BGADHN CC(C)(C)c1ncc(CN2CCCC2(C)C)cn1 ZINC000284342686 385864073 /nfs/dbraw/zinc/86/40/73/385864073.db2.gz LQQNBDCODRQGFI-UHFFFAOYSA-N 0 3 247.386 3.149 20 0 BGADHN C[C@@H](N[C@@H]1CCC1(C)C)c1cncc(F)c1 ZINC000284343408 387185890 /nfs/dbraw/zinc/18/58/90/387185890.db2.gz MWDSXVZFTSZFOD-BXKDBHETSA-N 0 3 222.307 3.060 20 0 BGADHN C[C@H](N[C@H]1CCC1(C)C)c1cncc(F)c1 ZINC000284343411 387186019 /nfs/dbraw/zinc/18/60/19/387186019.db2.gz MWDSXVZFTSZFOD-CABZTGNLSA-N 0 3 222.307 3.060 20 0 BGADHN C[C@H](N[C@@H]1CCC1(C)C)c1cncc(F)c1 ZINC000284343413 387186260 /nfs/dbraw/zinc/18/62/60/387186260.db2.gz MWDSXVZFTSZFOD-JOYOIKCWSA-N 0 3 222.307 3.060 20 0 BGADHN C[C@@H](N[C@H]1CCC1(C)C)c1cncc(F)c1 ZINC000284343416 387186388 /nfs/dbraw/zinc/18/63/88/387186388.db2.gz MWDSXVZFTSZFOD-SKDRFNHKSA-N 0 3 222.307 3.060 20 0 BGADHN CCCN(Cc1cnc(C(C)(C)C)nc1)C1CC1 ZINC000284351943 169179797 /nfs/dbraw/zinc/17/97/97/169179797.db2.gz MHUNONHLEIUKQH-UHFFFAOYSA-N 0 3 247.386 3.149 20 0 BGADHN CCCN(CCC)Cc1cnc(C(C)(C)C)nc1 ZINC000284372363 169149623 /nfs/dbraw/zinc/14/96/23/169149623.db2.gz NTUDRGQIKDZULU-UHFFFAOYSA-N 0 3 249.402 3.396 20 0 BGADHN CCC1(CNCc2cnc(C(C)(C)C)nc2)CC1 ZINC000284392477 387577266 /nfs/dbraw/zinc/57/72/66/387577266.db2.gz PFGINCPGMWBGTC-UHFFFAOYSA-N 0 3 247.386 3.054 20 0 BGADHN C[C@@H]1CCCN(Cc2cnc(C(C)(C)C)nc2)C1 ZINC000284392538 176101765 /nfs/dbraw/zinc/10/17/65/176101765.db2.gz PFZOHYDJALALMB-GFCCVEGCSA-N 0 3 247.386 3.006 20 0 BGADHN C[C@H]1CCCN(Cc2cnc(C(C)(C)C)nc2)C1 ZINC000284392541 177101892 /nfs/dbraw/zinc/10/18/92/177101892.db2.gz PFZOHYDJALALMB-LBPRGKRZSA-N 0 3 247.386 3.006 20 0 BGADHN CC1(C)CC[C@H]1NCc1ccc(Cl)cn1 ZINC000284415630 188268204 /nfs/dbraw/zinc/26/82/04/188268204.db2.gz QMWKLMRQGYENIT-LLVKDONJSA-N 0 3 224.735 3.013 20 0 BGADHN CC1(C)CC[C@@H]1NCc1ccc(Cl)cn1 ZINC000284415631 359301123 /nfs/dbraw/zinc/30/11/23/359301123.db2.gz QMWKLMRQGYENIT-NSHDSACASA-N 0 3 224.735 3.013 20 0 BGADHN Cc1ccc(CN(C)CCc2cscn2)cc1 ZINC000284416008 385867949 /nfs/dbraw/zinc/86/79/49/385867949.db2.gz XOACQZHRQHJZQB-UHFFFAOYSA-N 0 3 246.379 3.126 20 0 BGADHN CN(Cc1cnc(C(C)(C)C)nc1)CC(C)(C)C ZINC000284419702 385869311 /nfs/dbraw/zinc/86/93/11/385869311.db2.gz RCFBRLXAGUKDOU-UHFFFAOYSA-N 0 3 249.402 3.252 20 0 BGADHN CC(C)(C)c1ncc(CNCC2(C)CCC2)cn1 ZINC000284428754 168043744 /nfs/dbraw/zinc/04/37/44/168043744.db2.gz RUKNYLGYDHTUEV-UHFFFAOYSA-N 0 3 247.386 3.054 20 0 BGADHN CC(C)[C@@H](C)N(C)Cc1cnc(C(C)(C)C)nc1 ZINC000284430359 167369127 /nfs/dbraw/zinc/36/91/27/167369127.db2.gz RWHZZHMCJITCOL-GFCCVEGCSA-N 0 3 249.402 3.250 20 0 BGADHN CC(C)[C@H](C)N(C)Cc1cnc(C(C)(C)C)nc1 ZINC000284430362 188207259 /nfs/dbraw/zinc/20/72/59/188207259.db2.gz RWHZZHMCJITCOL-LBPRGKRZSA-N 0 3 249.402 3.250 20 0 BGADHN CCN(Cc1cnc(C(C)(C)C)nc1)C(C)C ZINC000284440542 351997150 /nfs/dbraw/zinc/99/71/50/351997150.db2.gz SSSFYRHYASBNIM-UHFFFAOYSA-N 0 3 235.375 3.004 20 0 BGADHN CC[C@@H]1CCN(Cc2cnc(C(C)(C)C)nc2)C1 ZINC000284441969 171012255 /nfs/dbraw/zinc/01/22/55/171012255.db2.gz SWKOCBRMEZZMBX-GFCCVEGCSA-N 0 3 247.386 3.006 20 0 BGADHN CC[C@H]1CCN(Cc2cnc(C(C)(C)C)nc2)C1 ZINC000284441971 385869539 /nfs/dbraw/zinc/86/95/39/385869539.db2.gz SWKOCBRMEZZMBX-LBPRGKRZSA-N 0 3 247.386 3.006 20 0 BGADHN C[C@H](C1CC1)N(C)Cc1cnc(C(C)(C)C)nc1 ZINC000284446816 385868411 /nfs/dbraw/zinc/86/84/11/385868411.db2.gz TYMZZCVRBJDYHM-LLVKDONJSA-N 0 3 247.386 3.004 20 0 BGADHN C[C@@H](C1CC1)N(C)Cc1cnc(C(C)(C)C)nc1 ZINC000284446817 385871678 /nfs/dbraw/zinc/87/16/78/385871678.db2.gz TYMZZCVRBJDYHM-NSHDSACASA-N 0 3 247.386 3.004 20 0 BGADHN CN(Cc1cnc(C(C)(C)C)nc1)C1CCCC1 ZINC000284455780 385870366 /nfs/dbraw/zinc/87/03/66/385870366.db2.gz URFVNCRXHGVCFT-UHFFFAOYSA-N 0 3 247.386 3.149 20 0 BGADHN COC[C@H](N[C@H]1CCC1(C)C)c1ccccc1 ZINC000284472548 387204575 /nfs/dbraw/zinc/20/45/75/387204575.db2.gz UKSUZVJZAQSKGQ-KBPBESRZSA-N 0 3 233.355 3.152 20 0 BGADHN COC[C@@H](N[C@H]1CCC1(C)C)c1ccccc1 ZINC000284472551 174488272 /nfs/dbraw/zinc/48/82/72/174488272.db2.gz UKSUZVJZAQSKGQ-KGLIPLIRSA-N 0 3 233.355 3.152 20 0 BGADHN COC[C@H](N[C@@H]1CCC1(C)C)c1ccccc1 ZINC000284472554 387202638 /nfs/dbraw/zinc/20/26/38/387202638.db2.gz UKSUZVJZAQSKGQ-UONOGXRCSA-N 0 3 233.355 3.152 20 0 BGADHN COC[C@@H](N[C@@H]1CCC1(C)C)c1ccccc1 ZINC000284472557 387203540 /nfs/dbraw/zinc/20/35/40/387203540.db2.gz UKSUZVJZAQSKGQ-ZIAGYGMSSA-N 0 3 233.355 3.152 20 0 BGADHN CCN(Cc1cnc(C(C)(C)C)nc1)CC1CC1 ZINC000284473901 351997829 /nfs/dbraw/zinc/99/78/29/351997829.db2.gz VXMOPTYIJDCDGP-UHFFFAOYSA-N 0 3 247.386 3.006 20 0 BGADHN CC(C)(O)C(C)(C)NCc1sccc1Cl ZINC000284473943 387202657 /nfs/dbraw/zinc/20/26/57/387202657.db2.gz SSSHHJDWCQOFIH-UHFFFAOYSA-N 0 3 247.791 3.041 20 0 BGADHN CCCCN(CC)Cc1cnc(C(C)(C)C)nc1 ZINC000284491942 385873552 /nfs/dbraw/zinc/87/35/52/385873552.db2.gz XAHFRRUIAOJQIQ-UHFFFAOYSA-N 0 3 249.402 3.396 20 0 BGADHN CCCN(CC)Cc1cnc(C(C)(C)C)nc1 ZINC000284496692 169129724 /nfs/dbraw/zinc/12/97/24/169129724.db2.gz XICLUFWFJYTADS-UHFFFAOYSA-N 0 3 235.375 3.006 20 0 BGADHN CC(C)N(Cc1cnc(C(C)(C)C)nc1)C1CC1 ZINC000284498708 385873445 /nfs/dbraw/zinc/87/34/45/385873445.db2.gz XLKWUJKXHYZDIW-UHFFFAOYSA-N 0 3 247.386 3.147 20 0 BGADHN CC[C@@H](C)CN(C)Cc1cnc(C(C)(C)C)nc1 ZINC000284498764 385873154 /nfs/dbraw/zinc/87/31/54/385873154.db2.gz XLTXGBFLTMCWQG-GFCCVEGCSA-N 0 3 249.402 3.252 20 0 BGADHN CC[C@H](C)CN(C)Cc1cnc(C(C)(C)C)nc1 ZINC000284498767 171274094 /nfs/dbraw/zinc/27/40/94/171274094.db2.gz XLTXGBFLTMCWQG-LBPRGKRZSA-N 0 3 249.402 3.252 20 0 BGADHN CCC1(NCc2cnc(C(C)(C)C)nc2)CCC1 ZINC000284518916 385872705 /nfs/dbraw/zinc/87/27/05/385872705.db2.gz YXQDPFDTVNXQAR-UHFFFAOYSA-N 0 3 247.386 3.196 20 0 BGADHN CC(C)(C)c1ncc(CN2CCCCCC2)cn1 ZINC000284530996 187344526 /nfs/dbraw/zinc/34/45/26/187344526.db2.gz ZXGSYFMFOFFGEC-UHFFFAOYSA-N 0 3 247.386 3.150 20 0 BGADHN C[C@H]1CCCC[C@H]1N(C)Cc1cncs1 ZINC000284603804 177087114 /nfs/dbraw/zinc/08/71/14/177087114.db2.gz RGWBPQPHXDBIBG-CMPLNLGQSA-N 0 3 224.373 3.154 20 0 BGADHN C[C@H]1CCCC[C@@H]1N(C)Cc1cncs1 ZINC000284603806 177080660 /nfs/dbraw/zinc/08/06/60/177080660.db2.gz RGWBPQPHXDBIBG-JQWIXIFHSA-N 0 3 224.373 3.154 20 0 BGADHN C[C@@H]1CCCC[C@@H]1N(C)Cc1cncs1 ZINC000284603808 176078488 /nfs/dbraw/zinc/07/84/88/176078488.db2.gz RGWBPQPHXDBIBG-PWSUYJOCSA-N 0 3 224.373 3.154 20 0 BGADHN C[C@@H]1CCCC[C@H]1N(C)Cc1cncs1 ZINC000284603810 176086428 /nfs/dbraw/zinc/08/64/28/176086428.db2.gz RGWBPQPHXDBIBG-ZYHUDNBSSA-N 0 3 224.373 3.154 20 0 BGADHN FCCCN1CCC=C(c2ccccc2)C1 ZINC000284783516 385884478 /nfs/dbraw/zinc/88/44/78/385884478.db2.gz OBFHFPJVFJJSTE-UHFFFAOYSA-N 0 3 219.303 3.135 20 0 BGADHN CC1=CC[C@H](N[C@H](C)c2nnc(C(C)C)[nH]2)CC1 ZINC000284899929 168121114 /nfs/dbraw/zinc/12/11/14/168121114.db2.gz CDPIZKIOVMZMAZ-NEPJUHHUSA-N 0 3 248.374 3.078 20 0 BGADHN CC1=CC[C@H]([NH2+][C@H](C)c2nnc(C(C)C)[n-]2)CC1 ZINC000284899929 168121113 /nfs/dbraw/zinc/12/11/13/168121113.db2.gz CDPIZKIOVMZMAZ-NEPJUHHUSA-N 0 3 248.374 3.078 20 0 BGADHN CC1=CC[C@@H](N[C@@H](C)c2nnc(C(C)C)[nH]2)CC1 ZINC000284899930 168119686 /nfs/dbraw/zinc/11/96/86/168119686.db2.gz CDPIZKIOVMZMAZ-NWDGAFQWSA-N 0 3 248.374 3.078 20 0 BGADHN CC1=CC[C@@H]([NH2+][C@@H](C)c2nnc(C(C)C)[n-]2)CC1 ZINC000284899930 168119685 /nfs/dbraw/zinc/11/96/85/168119685.db2.gz CDPIZKIOVMZMAZ-NWDGAFQWSA-N 0 3 248.374 3.078 20 0 BGADHN CC1=CC[C@H](N[C@@H](C)c2nnc(C(C)C)[nH]2)CC1 ZINC000284899931 168121839 /nfs/dbraw/zinc/12/18/39/168121839.db2.gz CDPIZKIOVMZMAZ-RYUDHWBXSA-N 0 3 248.374 3.078 20 0 BGADHN CC1=CC[C@H]([NH2+][C@@H](C)c2nnc(C(C)C)[n-]2)CC1 ZINC000284899931 168121837 /nfs/dbraw/zinc/12/18/37/168121837.db2.gz CDPIZKIOVMZMAZ-RYUDHWBXSA-N 0 3 248.374 3.078 20 0 BGADHN CC1=CC[C@@H](N[C@H](C)c2nnc(C(C)C)[nH]2)CC1 ZINC000284899932 168119294 /nfs/dbraw/zinc/11/92/94/168119294.db2.gz CDPIZKIOVMZMAZ-VXGBXAGGSA-N 0 3 248.374 3.078 20 0 BGADHN CC1=CC[C@@H]([NH2+][C@H](C)c2nnc(C(C)C)[n-]2)CC1 ZINC000284899932 168119291 /nfs/dbraw/zinc/11/92/91/168119291.db2.gz CDPIZKIOVMZMAZ-VXGBXAGGSA-N 0 3 248.374 3.078 20 0 BGADHN CCC(=O)CCN1CCC=C(c2ccccc2)C1 ZINC000284910200 168202581 /nfs/dbraw/zinc/20/25/81/168202581.db2.gz XIPDWCMWHRHZCZ-UHFFFAOYSA-N 0 3 243.350 3.145 20 0 BGADHN Cc1cc([C@@H](C)NC[C@@H]2CCC(F)(F)C2)no1 ZINC000285151458 178226956 /nfs/dbraw/zinc/22/69/56/178226956.db2.gz MFTFOYZXSXXDNO-NXEZZACHSA-N 0 3 244.285 3.069 20 0 BGADHN Cc1cc([C@H](C)NC[C@H]2CCC(F)(F)C2)no1 ZINC000285151460 178250779 /nfs/dbraw/zinc/25/07/79/178250779.db2.gz MFTFOYZXSXXDNO-UWVGGRQHSA-N 0 3 244.285 3.069 20 0 BGADHN Cc1cc([C@H](C)NC[C@@H]2CCC(F)(F)C2)no1 ZINC000285151463 178248433 /nfs/dbraw/zinc/24/84/33/178248433.db2.gz MFTFOYZXSXXDNO-VHSXEESVSA-N 0 3 244.285 3.069 20 0 BGADHN Cc1cc([C@@H](C)NC[C@H]2CCC(F)(F)C2)no1 ZINC000285151467 178226663 /nfs/dbraw/zinc/22/66/63/178226663.db2.gz MFTFOYZXSXXDNO-ZJUUUORDSA-N 0 3 244.285 3.069 20 0 BGADHN CO[C@H]1C[C@@H](N(C)Cc2ccc(Cl)s2)C1 ZINC000285223082 385907070 /nfs/dbraw/zinc/90/70/70/385907070.db2.gz AQELOAWDTPXUGM-DTORHVGOSA-N 0 3 245.775 3.011 20 0 BGADHN CSCCCN1CCC=C(c2ccco2)C1 ZINC000285225831 370687424 /nfs/dbraw/zinc/68/74/24/370687424.db2.gz FPAILQIVKKYILQ-UHFFFAOYSA-N 0 3 237.368 3.122 20 0 BGADHN CC(C)(C)OCCN1CCC=C(c2ccco2)C1 ZINC000285230979 385908386 /nfs/dbraw/zinc/90/83/86/385908386.db2.gz FXTBYHGRMBZXOI-UHFFFAOYSA-N 0 3 249.354 3.184 20 0 BGADHN CCC(C)(C)CN[C@@H](C)c1cc(C)on1 ZINC000285242774 168282082 /nfs/dbraw/zinc/28/20/82/168282082.db2.gz PRGYEYZXZRVHGO-JTQLQIEISA-N 0 3 210.321 3.070 20 0 BGADHN CCC(C)(C)CN[C@H](C)c1cc(C)on1 ZINC000285242781 168282365 /nfs/dbraw/zinc/28/23/65/168282365.db2.gz PRGYEYZXZRVHGO-SNVBAGLBSA-N 0 3 210.321 3.070 20 0 BGADHN C[C@@H](NCCCCF)c1cccc(F)c1F ZINC000285290703 387254592 /nfs/dbraw/zinc/25/45/92/387254592.db2.gz BCIJZLYJDNCFCJ-SECBINFHSA-N 0 3 231.261 3.365 20 0 BGADHN C[C@H](NCCCCF)c1cccc(F)c1F ZINC000285290705 387254606 /nfs/dbraw/zinc/25/46/06/387254606.db2.gz BCIJZLYJDNCFCJ-VIFPVBQESA-N 0 3 231.261 3.365 20 0 BGADHN CCSCCN1CCC=C(c2ccco2)C1 ZINC000285294996 370687774 /nfs/dbraw/zinc/68/77/74/370687774.db2.gz KQNCILUMQQJZGQ-UHFFFAOYSA-N 0 3 237.368 3.122 20 0 BGADHN CC[C@@H](C)NCc1cscc1Br ZINC000285334474 538941101 /nfs/dbraw/zinc/94/11/01/538941101.db2.gz CCZXDWPNJOOCBJ-SSDOTTSWSA-N 0 3 248.189 3.399 20 0 BGADHN CC[C@H](C)NCc1cscc1Br ZINC000285334476 538940971 /nfs/dbraw/zinc/94/09/71/538940971.db2.gz CCZXDWPNJOOCBJ-ZETCQYMHSA-N 0 3 248.189 3.399 20 0 BGADHN C[C@@H](N[C@H]1C[C@H](c2ccccc2)C1)c1cn[nH]c1 ZINC000285338370 385916055 /nfs/dbraw/zinc/91/60/55/385916055.db2.gz UQYXQRDMDABYMI-UXIGCNINSA-N 0 3 241.338 3.007 20 0 BGADHN C[C@H](N[C@H]1C[C@H](c2ccccc2)C1)c1cn[nH]c1 ZINC000285338374 385915027 /nfs/dbraw/zinc/91/50/27/385915027.db2.gz UQYXQRDMDABYMI-WHOFXGATSA-N 0 3 241.338 3.007 20 0 BGADHN COCC[C@H](N[C@H]1CC=C(C)CC1)c1ccco1 ZINC000285342086 385918370 /nfs/dbraw/zinc/91/83/70/385918370.db2.gz UWWMGFDKACRZQI-KBPBESRZSA-N 0 3 249.354 3.446 20 0 BGADHN COCC[C@H](N[C@@H]1CC=C(C)CC1)c1ccco1 ZINC000285342089 385918664 /nfs/dbraw/zinc/91/86/64/385918664.db2.gz UWWMGFDKACRZQI-KGLIPLIRSA-N 0 3 249.354 3.446 20 0 BGADHN COCC[C@@H](N[C@H]1CC=C(C)CC1)c1ccco1 ZINC000285342091 174395962 /nfs/dbraw/zinc/39/59/62/174395962.db2.gz UWWMGFDKACRZQI-UONOGXRCSA-N 0 3 249.354 3.446 20 0 BGADHN COCC[C@@H](N[C@@H]1CC=C(C)CC1)c1ccco1 ZINC000285342093 174395735 /nfs/dbraw/zinc/39/57/35/174395735.db2.gz UWWMGFDKACRZQI-ZIAGYGMSSA-N 0 3 249.354 3.446 20 0 BGADHN c1cc2cc(CN3CCCC3)ccc2o1 ZINC000285347857 183375017 /nfs/dbraw/zinc/37/50/17/183375017.db2.gz DHUUPNQSHYADAL-UHFFFAOYSA-N 0 3 201.269 3.029 20 0 BGADHN CC(C)CCCN[C@@H](C)c1c(F)cncc1F ZINC000285398932 385921975 /nfs/dbraw/zinc/92/19/75/385921975.db2.gz DYGXQVQBUSUFLL-JTQLQIEISA-N 0 3 242.313 3.447 20 0 BGADHN CC(C)CCCN[C@H](C)c1c(F)cncc1F ZINC000285398935 385922381 /nfs/dbraw/zinc/92/23/81/385922381.db2.gz DYGXQVQBUSUFLL-SNVBAGLBSA-N 0 3 242.313 3.447 20 0 BGADHN COCCCCCN1CCC=C(c2ccco2)C1 ZINC000285428544 174177567 /nfs/dbraw/zinc/17/75/67/174177567.db2.gz WMFPVNCSFCSINS-UHFFFAOYSA-N 0 3 249.354 3.185 20 0 BGADHN CC(C)OCCCN1CCC=C(c2ccco2)C1 ZINC000285441371 167211561 /nfs/dbraw/zinc/21/15/61/167211561.db2.gz XOSNKRYQZMNEBH-UHFFFAOYSA-N 0 3 249.354 3.184 20 0 BGADHN Cc1ccoc1CNCCCc1cccc(C)n1 ZINC000285448526 179056701 /nfs/dbraw/zinc/05/67/01/179056701.db2.gz GEAQFMGLQYCHFX-UHFFFAOYSA-N 0 3 244.338 3.014 20 0 BGADHN C[C@@H]1C[C@@H](c2ccccc2)N(Cc2ccno2)C1 ZINC000285477445 538941395 /nfs/dbraw/zinc/94/13/95/538941395.db2.gz BMTOJNJBLHZYGL-DOMZBBRYSA-N 0 3 242.322 3.258 20 0 BGADHN C[C@@H]1C[C@H](c2ccccc2)N(Cc2ccno2)C1 ZINC000285477449 538940945 /nfs/dbraw/zinc/94/09/45/538940945.db2.gz BMTOJNJBLHZYGL-IUODEOHRSA-N 0 3 242.322 3.258 20 0 BGADHN C[C@H]1C[C@H](c2ccccc2)N(Cc2ccno2)C1 ZINC000285477453 538941047 /nfs/dbraw/zinc/94/10/47/538941047.db2.gz BMTOJNJBLHZYGL-SWLSCSKDSA-N 0 3 242.322 3.258 20 0 BGADHN C[C@H]1C[C@@H](c2ccccc2)N(Cc2ccno2)C1 ZINC000285477455 538941325 /nfs/dbraw/zinc/94/13/25/538941325.db2.gz BMTOJNJBLHZYGL-WFASDCNBSA-N 0 3 242.322 3.258 20 0 BGADHN CCC[C@@H]1C[C@@H]1N[C@H](C)c1cc(C)ccn1 ZINC000285486157 387268557 /nfs/dbraw/zinc/26/85/57/387268557.db2.gz ABJCAACIYIOYSF-BZPMIXESSA-N 0 3 218.344 3.229 20 0 BGADHN CCC[C@@H]1C[C@H]1N[C@@H](C)c1cc(C)ccn1 ZINC000285486159 387267816 /nfs/dbraw/zinc/26/78/16/387267816.db2.gz ABJCAACIYIOYSF-OUCADQQQSA-N 0 3 218.344 3.229 20 0 BGADHN CCC[C@@H]1C[C@@H]1N[C@@H](C)c1cc(C)ccn1 ZINC000285486161 387267677 /nfs/dbraw/zinc/26/76/77/387267677.db2.gz ABJCAACIYIOYSF-SCRDCRAPSA-N 0 3 218.344 3.229 20 0 BGADHN CCC[C@@H]1C[C@H]1N[C@H](C)c1cc(C)ccn1 ZINC000285486163 387268586 /nfs/dbraw/zinc/26/85/86/387268586.db2.gz ABJCAACIYIOYSF-YRGRVCCFSA-N 0 3 218.344 3.229 20 0 BGADHN CC[C@@](C)(NCCCCF)c1nccs1 ZINC000285489801 171173658 /nfs/dbraw/zinc/17/36/58/171173658.db2.gz DGSRPYRDHYLSSV-LLVKDONJSA-N 0 3 230.352 3.108 20 0 BGADHN CC[C@](C)(NCCCCF)c1nccs1 ZINC000285489802 171698677 /nfs/dbraw/zinc/69/86/77/171698677.db2.gz DGSRPYRDHYLSSV-NSHDSACASA-N 0 3 230.352 3.108 20 0 BGADHN CC(C)C[C@@H](C)N[C@H](C)c1c(F)cncc1F ZINC000285504988 188034712 /nfs/dbraw/zinc/03/47/12/188034712.db2.gz ARIQXQZRYJOIOK-NXEZZACHSA-N 0 3 242.313 3.445 20 0 BGADHN CC(C)C[C@H](C)N[C@@H](C)c1c(F)cncc1F ZINC000285504989 385935085 /nfs/dbraw/zinc/93/50/85/385935085.db2.gz ARIQXQZRYJOIOK-UWVGGRQHSA-N 0 3 242.313 3.445 20 0 BGADHN CC(C)C[C@H](C)N[C@H](C)c1c(F)cncc1F ZINC000285504990 188207826 /nfs/dbraw/zinc/20/78/26/188207826.db2.gz ARIQXQZRYJOIOK-VHSXEESVSA-N 0 3 242.313 3.445 20 0 BGADHN CC(C)C[C@@H](C)N[C@@H](C)c1c(F)cncc1F ZINC000285504991 187345190 /nfs/dbraw/zinc/34/51/90/187345190.db2.gz ARIQXQZRYJOIOK-ZJUUUORDSA-N 0 3 242.313 3.445 20 0 BGADHN CCC[C@@H](C)CN[C@H](C)c1c(F)cncc1F ZINC000285524495 169361037 /nfs/dbraw/zinc/36/10/37/169361037.db2.gz PEIVNZVXTOCFBM-NXEZZACHSA-N 0 3 242.313 3.447 20 0 BGADHN CCC[C@H](C)CN[C@@H](C)c1c(F)cncc1F ZINC000285524498 385937967 /nfs/dbraw/zinc/93/79/67/385937967.db2.gz PEIVNZVXTOCFBM-UWVGGRQHSA-N 0 3 242.313 3.447 20 0 BGADHN CCC[C@H](C)CN[C@H](C)c1c(F)cncc1F ZINC000285524501 385938345 /nfs/dbraw/zinc/93/83/45/385938345.db2.gz PEIVNZVXTOCFBM-VHSXEESVSA-N 0 3 242.313 3.447 20 0 BGADHN CCC[C@@H](C)CN[C@@H](C)c1c(F)cncc1F ZINC000285524504 169359878 /nfs/dbraw/zinc/35/98/78/169359878.db2.gz PEIVNZVXTOCFBM-ZJUUUORDSA-N 0 3 242.313 3.447 20 0 BGADHN FCCCCN1CCC=C(c2ccco2)C1 ZINC000285539900 370688387 /nfs/dbraw/zinc/68/83/87/370688387.db2.gz HZVRUKCVSBCAFI-UHFFFAOYSA-N 0 3 223.291 3.118 20 0 BGADHN Cc1ccnc([C@H](C)NCCCC(F)(F)F)c1 ZINC000285541714 385939822 /nfs/dbraw/zinc/93/98/22/385939822.db2.gz CENSSZYDOJKDBA-JTQLQIEISA-N 0 3 246.276 3.383 20 0 BGADHN Cc1ccnc([C@@H](C)NCCCC(F)(F)F)c1 ZINC000285541716 385941422 /nfs/dbraw/zinc/94/14/22/385941422.db2.gz CENSSZYDOJKDBA-SNVBAGLBSA-N 0 3 246.276 3.383 20 0 BGADHN c1cc2cc(CNC[C@@H]3CCCCO3)ccc2o1 ZINC000285545204 183374513 /nfs/dbraw/zinc/37/45/13/183374513.db2.gz UDWGSQODKHQBQB-AWEZNQCLSA-N 0 3 245.322 3.092 20 0 BGADHN c1cc2cc(CNC[C@H]3CCCCO3)ccc2o1 ZINC000285545206 183374579 /nfs/dbraw/zinc/37/45/79/183374579.db2.gz UDWGSQODKHQBQB-CQSZACIVSA-N 0 3 245.322 3.092 20 0 BGADHN Brc1cscc1CNCC1CC1 ZINC000285551547 538941692 /nfs/dbraw/zinc/94/16/92/538941692.db2.gz UQQYIMYPCIGASR-UHFFFAOYSA-N 0 3 246.173 3.010 20 0 BGADHN CCCCCCN1CC=C(c2ccnn2C)CC1 ZINC000285553934 385940878 /nfs/dbraw/zinc/94/08/78/385940878.db2.gz IZCKVQGKLADDGD-UHFFFAOYSA-N 0 3 247.386 3.090 20 0 BGADHN CC[C@@H](C)CN[C@@H](C)c1c(F)cncc1F ZINC000285558643 387271347 /nfs/dbraw/zinc/27/13/47/387271347.db2.gz SHWBSJXPOOCJMB-BDAKNGLRSA-N 0 3 228.286 3.057 20 0 BGADHN CC[C@H](C)CN[C@H](C)c1c(F)cncc1F ZINC000285558644 171286750 /nfs/dbraw/zinc/28/67/50/171286750.db2.gz SHWBSJXPOOCJMB-DTWKUNHWSA-N 0 3 228.286 3.057 20 0 BGADHN CC[C@H](C)CN[C@@H](C)c1c(F)cncc1F ZINC000285558647 171285587 /nfs/dbraw/zinc/28/55/87/171285587.db2.gz SHWBSJXPOOCJMB-IUCAKERBSA-N 0 3 228.286 3.057 20 0 BGADHN CC[C@@H](C)CN[C@H](C)c1c(F)cncc1F ZINC000285558650 387271595 /nfs/dbraw/zinc/27/15/95/387271595.db2.gz SHWBSJXPOOCJMB-RKDXNWHRSA-N 0 3 228.286 3.057 20 0 BGADHN Cc1ccnc([C@@H](C)NCCCC(C)C)c1 ZINC000285569011 387273537 /nfs/dbraw/zinc/27/35/37/387273537.db2.gz HUGPHJRKZHYDGZ-CYBMUJFWSA-N 0 3 220.360 3.477 20 0 BGADHN Cc1ccnc([C@H](C)NCCCC(C)C)c1 ZINC000285569013 387273352 /nfs/dbraw/zinc/27/33/52/387273352.db2.gz HUGPHJRKZHYDGZ-ZDUSSCGKSA-N 0 3 220.360 3.477 20 0 BGADHN Cc1cnc(C(C)(C)NCCCCF)s1 ZINC000285576626 387273722 /nfs/dbraw/zinc/27/37/22/387273722.db2.gz KAPYXXQWQJSXLO-UHFFFAOYSA-N 0 3 230.352 3.026 20 0 BGADHN Fc1ccc(/C=C/CN2CCCC2)cc1F ZINC000285579363 385942657 /nfs/dbraw/zinc/94/26/57/385942657.db2.gz WVNBGNHZMVKSSD-ONEGZZNKSA-N 0 3 223.266 3.074 20 0 BGADHN C[C@@H](NC1CCCCC1)c1c(F)cncc1F ZINC000285581935 385943019 /nfs/dbraw/zinc/94/30/19/385943019.db2.gz HFXCSBCFAPCRBD-SECBINFHSA-N 0 3 240.297 3.343 20 0 BGADHN C[C@H](NC1CCCCC1)c1c(F)cncc1F ZINC000285581940 385942971 /nfs/dbraw/zinc/94/29/71/385942971.db2.gz HFXCSBCFAPCRBD-VIFPVBQESA-N 0 3 240.297 3.343 20 0 BGADHN FCCCCNC1(c2nccs2)CCCC1 ZINC000285585289 387274068 /nfs/dbraw/zinc/27/40/68/387274068.db2.gz KLMKLSPCOFDSTE-UHFFFAOYSA-N 0 3 242.363 3.252 20 0 BGADHN CSCc1ccc(CNCc2cc[nH]c2)cc1 ZINC000285588737 385946323 /nfs/dbraw/zinc/94/63/23/385946323.db2.gz VWAJFNMXNSWPLG-UHFFFAOYSA-N 0 3 246.379 3.168 20 0 BGADHN Cc1ccc(CNCCCc2cccc(C)n2)o1 ZINC000285592422 179056720 /nfs/dbraw/zinc/05/67/20/179056720.db2.gz OYRCVJODLONIJY-UHFFFAOYSA-N 0 3 244.338 3.014 20 0 BGADHN Cc1ccnc([C@@H](C)NCCc2cccs2)c1 ZINC000285600052 188386836 /nfs/dbraw/zinc/38/68/36/188386836.db2.gz JTAXKAJJJPGMKJ-GFCCVEGCSA-N 0 3 246.379 3.345 20 0 BGADHN Cc1ccnc([C@H](C)NCCc2cccs2)c1 ZINC000285600054 385947538 /nfs/dbraw/zinc/94/75/38/385947538.db2.gz JTAXKAJJJPGMKJ-LBPRGKRZSA-N 0 3 246.379 3.345 20 0 BGADHN CCc1nc([C@@H](C)NCCCCF)cs1 ZINC000285601633 172001866 /nfs/dbraw/zinc/00/18/66/172001866.db2.gz LMOGMSSOCBRWQZ-SECBINFHSA-N 0 3 230.352 3.106 20 0 BGADHN CCc1nc([C@H](C)NCCCCF)cs1 ZINC000285601642 172006438 /nfs/dbraw/zinc/00/64/38/172006438.db2.gz LMOGMSSOCBRWQZ-VIFPVBQESA-N 0 3 230.352 3.106 20 0 BGADHN CO[C@@H](C)CN(C)Cc1ccc(C(F)F)cc1 ZINC000285619596 188208602 /nfs/dbraw/zinc/20/86/02/188208602.db2.gz KFRFTSRBSLQYHQ-JTQLQIEISA-N 0 3 243.297 3.091 20 0 BGADHN CO[C@H](C)CN(C)Cc1ccc(C(F)F)cc1 ZINC000285619599 385948853 /nfs/dbraw/zinc/94/88/53/385948853.db2.gz KFRFTSRBSLQYHQ-SNVBAGLBSA-N 0 3 243.297 3.091 20 0 BGADHN CC[C@H](NCCCCF)c1nc(C)cs1 ZINC000285626051 387276813 /nfs/dbraw/zinc/27/68/13/387276813.db2.gz NCLCESSZNCFZQG-JTQLQIEISA-N 0 3 230.352 3.242 20 0 BGADHN CC[C@@H](NCCCCF)c1nc(C)cs1 ZINC000285626054 387276014 /nfs/dbraw/zinc/27/60/14/387276014.db2.gz NCLCESSZNCFZQG-SNVBAGLBSA-N 0 3 230.352 3.242 20 0 BGADHN Cc1ccnc([C@@H](C)NCCc2ccsc2)c1 ZINC000285630586 385950638 /nfs/dbraw/zinc/95/06/38/385950638.db2.gz LGALSCIXKXKOJS-GFCCVEGCSA-N 0 3 246.379 3.345 20 0 BGADHN Cc1ccnc([C@H](C)NCCc2ccsc2)c1 ZINC000285630591 188034214 /nfs/dbraw/zinc/03/42/14/188034214.db2.gz LGALSCIXKXKOJS-LBPRGKRZSA-N 0 3 246.379 3.345 20 0 BGADHN C[C@@H](NCCCCF)c1ccc(F)cc1F ZINC000285637389 387275420 /nfs/dbraw/zinc/27/54/20/387275420.db2.gz NSJBJRBRJSJVGB-SECBINFHSA-N 0 3 231.261 3.365 20 0 BGADHN C[C@H](NCCCCF)c1ccc(F)cc1F ZINC000285637391 176843918 /nfs/dbraw/zinc/84/39/18/176843918.db2.gz NSJBJRBRJSJVGB-VIFPVBQESA-N 0 3 231.261 3.365 20 0 BGADHN CO[C@@H](C)CN(C)Cc1cccc(C(F)F)c1 ZINC000285643742 188207823 /nfs/dbraw/zinc/20/78/23/188207823.db2.gz LKPGWMPUQMUXHC-JTQLQIEISA-N 0 3 243.297 3.091 20 0 BGADHN CO[C@H](C)CN(C)Cc1cccc(C(F)F)c1 ZINC000285643747 174823457 /nfs/dbraw/zinc/82/34/57/174823457.db2.gz LKPGWMPUQMUXHC-SNVBAGLBSA-N 0 3 243.297 3.091 20 0 BGADHN Cc1csc(C(C)(C)NCCCCF)n1 ZINC000285669633 387268446 /nfs/dbraw/zinc/26/84/46/387268446.db2.gz PSMOECCYRINHRF-UHFFFAOYSA-N 0 3 230.352 3.026 20 0 BGADHN CCCCCN[C@H](C)c1c(F)cncc1F ZINC000285690818 387280751 /nfs/dbraw/zinc/28/07/51/387280751.db2.gz NSIDBZBKPZGVDN-SECBINFHSA-N 0 3 228.286 3.201 20 0 BGADHN CCCCCN[C@@H](C)c1c(F)cncc1F ZINC000285690823 387280926 /nfs/dbraw/zinc/28/09/26/387280926.db2.gz NSIDBZBKPZGVDN-VIFPVBQESA-N 0 3 228.286 3.201 20 0 BGADHN C[C@H](CC1CC1)N[C@@H](C)c1c(F)cncc1F ZINC000285691648 385956609 /nfs/dbraw/zinc/95/66/09/385956609.db2.gz OFJFWQFRPIZFAU-BDAKNGLRSA-N 0 3 240.297 3.199 20 0 BGADHN C[C@@H](N[C@@H](C)CC1CC1)c1c(F)cncc1F ZINC000285691657 385958921 /nfs/dbraw/zinc/95/89/21/385958921.db2.gz OFJFWQFRPIZFAU-DTWKUNHWSA-N 0 3 240.297 3.199 20 0 BGADHN C[C@@H](CC1CC1)N[C@@H](C)c1c(F)cncc1F ZINC000285691663 385957995 /nfs/dbraw/zinc/95/79/95/385957995.db2.gz OFJFWQFRPIZFAU-IUCAKERBSA-N 0 3 240.297 3.199 20 0 BGADHN C[C@H](CC1CC1)N[C@H](C)c1c(F)cncc1F ZINC000285691668 385956720 /nfs/dbraw/zinc/95/67/20/385956720.db2.gz OFJFWQFRPIZFAU-RKDXNWHRSA-N 0 3 240.297 3.199 20 0 BGADHN CC[C@@](C)(NCCCCF)c1nc(C)cs1 ZINC000285701379 171174832 /nfs/dbraw/zinc/17/48/32/171174832.db2.gz RQYOEDWDUIVIEN-GFCCVEGCSA-N 0 3 244.379 3.416 20 0 BGADHN CC[C@](C)(NCCCCF)c1nc(C)cs1 ZINC000285701382 387280663 /nfs/dbraw/zinc/28/06/63/387280663.db2.gz RQYOEDWDUIVIEN-LBPRGKRZSA-N 0 3 244.379 3.416 20 0 BGADHN Cc1csc(C2(NCCCCF)CCC2)n1 ZINC000285711155 179767694 /nfs/dbraw/zinc/76/76/94/179767694.db2.gz SIAYLXZRKWDHSG-UHFFFAOYSA-N 0 3 242.363 3.170 20 0 BGADHN Cc1ccnc([C@@H](C)NCCC(C)C)c1 ZINC000285728571 387283129 /nfs/dbraw/zinc/28/31/29/387283129.db2.gz QNEFXJPTHLNYAE-GFCCVEGCSA-N 0 3 206.333 3.087 20 0 BGADHN Cc1ccnc([C@H](C)NCCC(C)C)c1 ZINC000285728574 179466462 /nfs/dbraw/zinc/46/64/62/179466462.db2.gz QNEFXJPTHLNYAE-LBPRGKRZSA-N 0 3 206.333 3.087 20 0 BGADHN C[C@H](N[C@H]1CCC[C@@H]1C)c1c(F)cncc1F ZINC000285736124 385961718 /nfs/dbraw/zinc/96/17/18/385961718.db2.gz QZYNZOHLDNVFIO-AUTRQRHGSA-N 0 3 240.297 3.199 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@@H]1C)c1c(F)cncc1F ZINC000285736129 176896703 /nfs/dbraw/zinc/89/67/03/176896703.db2.gz QZYNZOHLDNVFIO-HOTUBEGUSA-N 0 3 240.297 3.199 20 0 BGADHN C[C@H](N[C@H]1CCC[C@H]1C)c1c(F)cncc1F ZINC000285736133 385961008 /nfs/dbraw/zinc/96/10/08/385961008.db2.gz QZYNZOHLDNVFIO-PTRXPTGYSA-N 0 3 240.297 3.199 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@H]1C)c1c(F)cncc1F ZINC000285736137 385960472 /nfs/dbraw/zinc/96/04/72/385960472.db2.gz QZYNZOHLDNVFIO-VDDIYKPWSA-N 0 3 240.297 3.199 20 0 BGADHN C[C@@H](N[C@H]1CC[C@@H](C)C1)c1c(F)cncc1F ZINC000285747685 176234268 /nfs/dbraw/zinc/23/42/68/176234268.db2.gz RTPLHLJUZRBQST-BBBLOLIVSA-N 0 3 240.297 3.199 20 0 BGADHN C[C@H](N[C@@H]1CC[C@@H](C)C1)c1c(F)cncc1F ZINC000285747687 385960497 /nfs/dbraw/zinc/96/04/97/385960497.db2.gz RTPLHLJUZRBQST-KXUCPTDWSA-N 0 3 240.297 3.199 20 0 BGADHN C[C@@H](N[C@@H]1CC[C@@H](C)C1)c1c(F)cncc1F ZINC000285747690 176214088 /nfs/dbraw/zinc/21/40/88/176214088.db2.gz RTPLHLJUZRBQST-OPRDCNLKSA-N 0 3 240.297 3.199 20 0 BGADHN C[C@H](N[C@H]1CC[C@@H](C)C1)c1c(F)cncc1F ZINC000285747692 385961816 /nfs/dbraw/zinc/96/18/16/385961816.db2.gz RTPLHLJUZRBQST-UTLUCORTSA-N 0 3 240.297 3.199 20 0 BGADHN CN(CCCCF)Cc1nc2ccccc2o1 ZINC000285756950 385959604 /nfs/dbraw/zinc/95/96/04/385959604.db2.gz VWENQAAJGDJCTL-UHFFFAOYSA-N 0 3 236.290 3.009 20 0 BGADHN Cc1ccnc([C@H](C)NCCc2ccccc2)c1 ZINC000285775710 411457190 /nfs/dbraw/zinc/45/71/90/411457190.db2.gz TWIKWVFARUUEBM-AWEZNQCLSA-N 0 3 240.350 3.283 20 0 BGADHN Cc1ccnc([C@@H](C)NCCc2ccccc2)c1 ZINC000285775714 188387441 /nfs/dbraw/zinc/38/74/41/188387441.db2.gz TWIKWVFARUUEBM-CQSZACIVSA-N 0 3 240.350 3.283 20 0 BGADHN COc1cccc(CNCc2csc(C)c2)c1 ZINC000285777457 175265265 /nfs/dbraw/zinc/26/52/65/175265265.db2.gz FINPBNPHXJWNDR-UHFFFAOYSA-N 0 3 247.363 3.355 20 0 BGADHN C[C@@H]1COc2ccccc2CN1CCCCF ZINC000285788627 176347801 /nfs/dbraw/zinc/34/78/01/176347801.db2.gz XSSZIZFKRBSWEC-GFCCVEGCSA-N 0 3 237.318 3.019 20 0 BGADHN C[C@H]1COc2ccccc2CN1CCCCF ZINC000285788638 385965087 /nfs/dbraw/zinc/96/50/87/385965087.db2.gz XSSZIZFKRBSWEC-LBPRGKRZSA-N 0 3 237.318 3.019 20 0 BGADHN CC/C=C/CCNC(C)(C)c1c(C)noc1C ZINC000285789110 385966311 /nfs/dbraw/zinc/96/63/11/385966311.db2.gz UQQNKAVXSRKVCM-BQYQJAHWSA-N 0 3 236.359 3.472 20 0 BGADHN CC[C@H](C)[C@@H](C)N[C@@H](C)c1c(F)cncc1F ZINC000285800135 171366320 /nfs/dbraw/zinc/36/63/20/171366320.db2.gz VWLAIJAVXSVXSK-AEJSXWLSSA-N 0 3 242.313 3.445 20 0 BGADHN CC[C@H](C)[C@H](C)N[C@@H](C)c1c(F)cncc1F ZINC000285800137 171390487 /nfs/dbraw/zinc/39/04/87/171390487.db2.gz VWLAIJAVXSVXSK-GUBZILKMSA-N 0 3 242.313 3.445 20 0 BGADHN CC[C@H](C)[C@@H](C)N[C@H](C)c1c(F)cncc1F ZINC000285800141 171366372 /nfs/dbraw/zinc/36/63/72/171366372.db2.gz VWLAIJAVXSVXSK-IVZWLZJFSA-N 0 3 242.313 3.445 20 0 BGADHN CC[C@H](C)[C@H](C)N[C@H](C)c1c(F)cncc1F ZINC000285800145 171390213 /nfs/dbraw/zinc/39/02/13/171390213.db2.gz VWLAIJAVXSVXSK-LPEHRKFASA-N 0 3 242.313 3.445 20 0 BGADHN CC(C)CCN[C@H](C)c1c(F)cncc1F ZINC000285801648 387277919 /nfs/dbraw/zinc/27/79/19/387277919.db2.gz UNCZOLSBTAKHGS-SECBINFHSA-N 0 3 228.286 3.057 20 0 BGADHN CC(C)CCN[C@@H](C)c1c(F)cncc1F ZINC000285801649 387277460 /nfs/dbraw/zinc/27/74/60/387277460.db2.gz UNCZOLSBTAKHGS-VIFPVBQESA-N 0 3 228.286 3.057 20 0 BGADHN C[C@@H](NCCCCF)c1c(F)cccc1F ZINC000285809955 387278952 /nfs/dbraw/zinc/27/89/52/387278952.db2.gz ZDNNJTMMIVKQPX-SECBINFHSA-N 0 3 231.261 3.365 20 0 BGADHN C[C@H](NCCCCF)c1c(F)cccc1F ZINC000285809956 387279080 /nfs/dbraw/zinc/27/90/80/387279080.db2.gz ZDNNJTMMIVKQPX-VIFPVBQESA-N 0 3 231.261 3.365 20 0 BGADHN CC[C@H](N[C@H](C)c1c(F)cncc1F)C1CC1 ZINC000285817599 385969387 /nfs/dbraw/zinc/96/93/87/385969387.db2.gz WVNNYVYALDEYBQ-PELKAZGASA-N 0 3 240.297 3.199 20 0 BGADHN CC[C@@H](N[C@H](C)c1c(F)cncc1F)C1CC1 ZINC000285817603 352060494 /nfs/dbraw/zinc/06/04/94/352060494.db2.gz WVNNYVYALDEYBQ-PRHODGIISA-N 0 3 240.297 3.199 20 0 BGADHN CC[C@@H](N[C@@H](C)c1c(F)cncc1F)C1CC1 ZINC000285817606 352060511 /nfs/dbraw/zinc/06/05/11/352060511.db2.gz WVNNYVYALDEYBQ-QPUJVOFHSA-N 0 3 240.297 3.199 20 0 BGADHN CC[C@H](N[C@@H](C)c1c(F)cncc1F)C1CC1 ZINC000285817609 385968183 /nfs/dbraw/zinc/96/81/83/385968183.db2.gz WVNNYVYALDEYBQ-UFBFGSQYSA-N 0 3 240.297 3.199 20 0 BGADHN CC(C)[C@@H](C)N[C@@H](C)c1c(F)cncc1F ZINC000285831770 167384420 /nfs/dbraw/zinc/38/44/20/167384420.db2.gz XVAQUXCJUJYDGA-BDAKNGLRSA-N 0 3 228.286 3.055 20 0 BGADHN CC(C)[C@H](C)N[C@H](C)c1c(F)cncc1F ZINC000285831771 387280850 /nfs/dbraw/zinc/28/08/50/387280850.db2.gz XVAQUXCJUJYDGA-DTWKUNHWSA-N 0 3 228.286 3.055 20 0 BGADHN CC(C)[C@H](C)N[C@@H](C)c1c(F)cncc1F ZINC000285831773 387282005 /nfs/dbraw/zinc/28/20/05/387282005.db2.gz XVAQUXCJUJYDGA-IUCAKERBSA-N 0 3 228.286 3.055 20 0 BGADHN CC(C)[C@@H](C)N[C@H](C)c1c(F)cncc1F ZINC000285831774 167385866 /nfs/dbraw/zinc/38/58/66/167385866.db2.gz XVAQUXCJUJYDGA-RKDXNWHRSA-N 0 3 228.286 3.055 20 0 BGADHN COc1ccc(CNCc2csc(C)c2)cc1 ZINC000285834083 175108770 /nfs/dbraw/zinc/10/87/70/175108770.db2.gz IVWIKHUEACBIGQ-UHFFFAOYSA-N 0 3 247.363 3.355 20 0 BGADHN CCOC1CC(CN(C)[C@@H](C)c2ccco2)C1 ZINC000285834321 170323134 /nfs/dbraw/zinc/32/31/34/170323134.db2.gz BZYJWGGSKHLJEC-HIFPTAJRSA-N 0 3 237.343 3.088 20 0 BGADHN CCOC1CC(CN(C)[C@H](C)c2ccco2)C1 ZINC000285834323 170325416 /nfs/dbraw/zinc/32/54/16/170325416.db2.gz BZYJWGGSKHLJEC-PNESKVBLSA-N 0 3 237.343 3.088 20 0 BGADHN Cc1cc(CNCCSC(C)C)cs1 ZINC000285862731 178022014 /nfs/dbraw/zinc/02/20/14/178022014.db2.gz KMASAUYNCYAOML-UHFFFAOYSA-N 0 3 229.414 3.288 20 0 BGADHN CCCCCN[C@H](C)c1cc(C)ccn1 ZINC000285885314 387289725 /nfs/dbraw/zinc/28/97/25/387289725.db2.gz ZTDOSCPSIREASG-GFCCVEGCSA-N 0 3 206.333 3.231 20 0 BGADHN CCCCCN[C@@H](C)c1cc(C)ccn1 ZINC000285885316 387289374 /nfs/dbraw/zinc/28/93/74/387289374.db2.gz ZTDOSCPSIREASG-LBPRGKRZSA-N 0 3 206.333 3.231 20 0 BGADHN C[C@@H](NCCC(C)(C)C)c1c(F)cncc1F ZINC000285892383 385976051 /nfs/dbraw/zinc/97/60/51/385976051.db2.gz ZGPGMBQCNAMXHV-SECBINFHSA-N 0 3 242.313 3.447 20 0 BGADHN C[C@H](NCCC(C)(C)C)c1c(F)cncc1F ZINC000285892388 385974128 /nfs/dbraw/zinc/97/41/28/385974128.db2.gz ZGPGMBQCNAMXHV-VIFPVBQESA-N 0 3 242.313 3.447 20 0 BGADHN C[C@@H](NCCCCCF)c1c(F)cncc1F ZINC000285894698 385974570 /nfs/dbraw/zinc/97/45/70/385974570.db2.gz ZLFMTZJNLRKAJX-SECBINFHSA-N 0 3 246.276 3.150 20 0 BGADHN C[C@H](NCCCCCF)c1c(F)cncc1F ZINC000285894702 385974307 /nfs/dbraw/zinc/97/43/07/385974307.db2.gz ZLFMTZJNLRKAJX-VIFPVBQESA-N 0 3 246.276 3.150 20 0 BGADHN CC(C)CC[C@@H](NCC[C@H](C)O)c1ccoc1 ZINC000285901887 385975143 /nfs/dbraw/zinc/97/51/43/385975143.db2.gz CUQIMDPTLWXWLJ-GXTWGEPZSA-N 0 3 239.359 3.117 20 0 BGADHN CC(C)CC[C@H](NCC[C@H](C)O)c1ccoc1 ZINC000285901889 352063899 /nfs/dbraw/zinc/06/38/99/352063899.db2.gz CUQIMDPTLWXWLJ-JSGCOSHPSA-N 0 3 239.359 3.117 20 0 BGADHN CC(C)CC[C@H](NCC[C@@H](C)O)c1ccoc1 ZINC000285901891 352064395 /nfs/dbraw/zinc/06/43/95/352064395.db2.gz CUQIMDPTLWXWLJ-OCCSQVGLSA-N 0 3 239.359 3.117 20 0 BGADHN CC(C)CC[C@@H](NCC[C@@H](C)O)c1ccoc1 ZINC000285901894 385973986 /nfs/dbraw/zinc/97/39/86/385973986.db2.gz CUQIMDPTLWXWLJ-TZMCWYRMSA-N 0 3 239.359 3.117 20 0 BGADHN CCC[C@@H](C)N[C@@H](C)c1c(F)cncc1F ZINC000285903873 169370673 /nfs/dbraw/zinc/37/06/73/169370673.db2.gz ZXXKZMQURBOFDE-BDAKNGLRSA-N 0 3 228.286 3.199 20 0 BGADHN CCC[C@H](C)N[C@H](C)c1c(F)cncc1F ZINC000285903877 169494089 /nfs/dbraw/zinc/49/40/89/169494089.db2.gz ZXXKZMQURBOFDE-DTWKUNHWSA-N 0 3 228.286 3.199 20 0 BGADHN CCC[C@H](C)N[C@@H](C)c1c(F)cncc1F ZINC000285903883 387285180 /nfs/dbraw/zinc/28/51/80/387285180.db2.gz ZXXKZMQURBOFDE-IUCAKERBSA-N 0 3 228.286 3.199 20 0 BGADHN CCC[C@@H](C)N[C@H](C)c1c(F)cncc1F ZINC000285903888 169371828 /nfs/dbraw/zinc/37/18/28/169371828.db2.gz ZXXKZMQURBOFDE-RKDXNWHRSA-N 0 3 228.286 3.199 20 0 BGADHN C[C@H](NCC(C)(C)c1cccs1)c1ncc[nH]1 ZINC000285916415 538942323 /nfs/dbraw/zinc/94/23/23/538942323.db2.gz DMUHWVJFWCKPMF-JTQLQIEISA-N 0 3 249.383 3.100 20 0 BGADHN C[C@@H](NCC(C)(C)c1cccs1)c1ncc[nH]1 ZINC000285916419 538942353 /nfs/dbraw/zinc/94/23/53/538942353.db2.gz DMUHWVJFWCKPMF-SNVBAGLBSA-N 0 3 249.383 3.100 20 0 BGADHN C[C@H]1c2ccsc2CCN1CCCCF ZINC000285935980 385981404 /nfs/dbraw/zinc/98/14/04/385981404.db2.gz JCCGUJZFQWJNKZ-JTQLQIEISA-N 0 3 227.348 3.417 20 0 BGADHN C[C@@H]1c2ccsc2CCN1CCCCF ZINC000285935986 385981691 /nfs/dbraw/zinc/98/16/91/385981691.db2.gz JCCGUJZFQWJNKZ-SNVBAGLBSA-N 0 3 227.348 3.417 20 0 BGADHN Cc1ccc([C@H](C)CN[C@H](C)c2ncc[nH]2)cc1 ZINC000285939318 538942575 /nfs/dbraw/zinc/94/25/75/538942575.db2.gz FPHHPUTVRPUOMO-CHWSQXEVSA-N 0 3 243.354 3.172 20 0 BGADHN Cc1ccc([C@H](C)CN[C@@H](C)c2ncc[nH]2)cc1 ZINC000285939321 538942734 /nfs/dbraw/zinc/94/27/34/538942734.db2.gz FPHHPUTVRPUOMO-OLZOCXBDSA-N 0 3 243.354 3.172 20 0 BGADHN Cc1ccc([C@@H](C)CN[C@H](C)c2ncc[nH]2)cc1 ZINC000285939323 538942358 /nfs/dbraw/zinc/94/23/58/538942358.db2.gz FPHHPUTVRPUOMO-QWHCGFSZSA-N 0 3 243.354 3.172 20 0 BGADHN Cc1ccc([C@@H](C)CN[C@@H](C)c2ncc[nH]2)cc1 ZINC000285939325 538942277 /nfs/dbraw/zinc/94/22/77/538942277.db2.gz FPHHPUTVRPUOMO-STQMWFEESA-N 0 3 243.354 3.172 20 0 BGADHN Cc1ccnc([C@@H](C)NCC2(C)CCC2)c1 ZINC000285944328 387295496 /nfs/dbraw/zinc/29/54/96/387295496.db2.gz DQKINKHUWNLLKR-GFCCVEGCSA-N 0 3 218.344 3.231 20 0 BGADHN Cc1ccnc([C@H](C)NCC2(C)CCC2)c1 ZINC000285944331 387295948 /nfs/dbraw/zinc/29/59/48/387295948.db2.gz DQKINKHUWNLLKR-LBPRGKRZSA-N 0 3 218.344 3.231 20 0 BGADHN Cc1cc(CNCc2ccsc2)cs1 ZINC000285953746 178027282 /nfs/dbraw/zinc/02/72/82/178027282.db2.gz QHXGYXUTSLEKDW-UHFFFAOYSA-N 0 3 223.366 3.408 20 0 BGADHN CC[C@@H](CSC)N[C@H](C)c1cc(C)ccn1 ZINC000285961790 387297476 /nfs/dbraw/zinc/29/74/76/387297476.db2.gz FOJGPWPVGULBMF-NEPJUHHUSA-N 0 3 238.400 3.182 20 0 BGADHN CC[C@H](CSC)N[C@@H](C)c1cc(C)ccn1 ZINC000285961794 387297574 /nfs/dbraw/zinc/29/75/74/387297574.db2.gz FOJGPWPVGULBMF-NWDGAFQWSA-N 0 3 238.400 3.182 20 0 BGADHN CC[C@@H](CSC)N[C@@H](C)c1cc(C)ccn1 ZINC000285961799 387297815 /nfs/dbraw/zinc/29/78/15/387297815.db2.gz FOJGPWPVGULBMF-RYUDHWBXSA-N 0 3 238.400 3.182 20 0 BGADHN CC[C@H](CSC)N[C@H](C)c1cc(C)ccn1 ZINC000285961805 387298046 /nfs/dbraw/zinc/29/80/46/387298046.db2.gz FOJGPWPVGULBMF-VXGBXAGGSA-N 0 3 238.400 3.182 20 0 BGADHN CSC(C)(C)CN[C@H](C)c1cc(C)ccn1 ZINC000285963121 490210518 /nfs/dbraw/zinc/21/05/18/490210518.db2.gz GTDKOTJKPLIFJC-LLVKDONJSA-N 0 3 238.400 3.182 20 0 BGADHN CSC(C)(C)CN[C@@H](C)c1cc(C)ccn1 ZINC000285963126 490210641 /nfs/dbraw/zinc/21/06/41/490210641.db2.gz GTDKOTJKPLIFJC-NSHDSACASA-N 0 3 238.400 3.182 20 0 BGADHN CN(CCCCF)Cc1cccc(F)c1 ZINC000285969718 385984964 /nfs/dbraw/zinc/98/49/64/385984964.db2.gz LHDQKWCKWTYWQV-UHFFFAOYSA-N 0 3 213.271 3.007 20 0 BGADHN C[C@@H]1CSC[C@H]1NCc1ccccc1Cl ZINC000285977367 176355515 /nfs/dbraw/zinc/35/55/15/176355515.db2.gz NVXAQJZSZCSCDZ-BXKDBHETSA-N 0 3 241.787 3.181 20 0 BGADHN C[C@H]1CSC[C@@H]1NCc1ccccc1Cl ZINC000285977368 177306139 /nfs/dbraw/zinc/30/61/39/177306139.db2.gz NVXAQJZSZCSCDZ-CABZTGNLSA-N 0 3 241.787 3.181 20 0 BGADHN C[C@H]1CSC[C@H]1NCc1ccccc1Cl ZINC000285977371 177307080 /nfs/dbraw/zinc/30/70/80/177307080.db2.gz NVXAQJZSZCSCDZ-JOYOIKCWSA-N 0 3 241.787 3.181 20 0 BGADHN C[C@@H]1CSC[C@@H]1NCc1ccccc1Cl ZINC000285977373 176352914 /nfs/dbraw/zinc/35/29/14/176352914.db2.gz NVXAQJZSZCSCDZ-SKDRFNHKSA-N 0 3 241.787 3.181 20 0 BGADHN CN(CCCCF)Cc1ccc(F)c(F)c1 ZINC000285979913 385984247 /nfs/dbraw/zinc/98/42/47/385984247.db2.gz MAIJGJYCFJMLJO-UHFFFAOYSA-N 0 3 231.261 3.146 20 0 BGADHN Cc1ccnc([C@@H](C)NCC(C)(C)C)c1 ZINC000285980943 387306342 /nfs/dbraw/zinc/30/63/42/387306342.db2.gz HQYROVFVEOUSCL-LLVKDONJSA-N 0 3 206.333 3.087 20 0 BGADHN Cc1ccnc([C@H](C)NCC(C)(C)C)c1 ZINC000285980944 387306541 /nfs/dbraw/zinc/30/65/41/387306541.db2.gz HQYROVFVEOUSCL-NSHDSACASA-N 0 3 206.333 3.087 20 0 BGADHN FC1(F)CC(NCc2ccc3occc3c2)C1 ZINC000285988635 385983272 /nfs/dbraw/zinc/98/32/72/385983272.db2.gz OIKFGSHYOYAUMJ-UHFFFAOYSA-N 0 3 237.249 3.320 20 0 BGADHN CN(CCCCF)Cc1ccc(F)cc1F ZINC000286000425 385986173 /nfs/dbraw/zinc/98/61/73/385986173.db2.gz NOVIUKHHWUMISY-UHFFFAOYSA-N 0 3 231.261 3.146 20 0 BGADHN Cc1cc(CNCc2cccs2)cs1 ZINC000286019979 178026071 /nfs/dbraw/zinc/02/60/71/178026071.db2.gz VIDBSXDPOPQEPM-UHFFFAOYSA-N 0 3 223.366 3.408 20 0 BGADHN Cc1ccc(C[C@H](C)N[C@H](C)c2ncc[nH]2)s1 ZINC000286032178 538942744 /nfs/dbraw/zinc/94/27/44/538942744.db2.gz KFMSSFCPHZORGD-GXSJLCMTSA-N 0 3 249.383 3.061 20 0 BGADHN Cc1ccc(C[C@@H](C)N[C@@H](C)c2ncc[nH]2)s1 ZINC000286032181 538942964 /nfs/dbraw/zinc/94/29/64/538942964.db2.gz KFMSSFCPHZORGD-KOLCDFICSA-N 0 3 249.383 3.061 20 0 BGADHN Cc1ccc(C[C@@H](C)N[C@H](C)c2ncc[nH]2)s1 ZINC000286032184 538942874 /nfs/dbraw/zinc/94/28/74/538942874.db2.gz KFMSSFCPHZORGD-MWLCHTKSSA-N 0 3 249.383 3.061 20 0 BGADHN Cc1ccc(C[C@H](C)N[C@@H](C)c2ncc[nH]2)s1 ZINC000286032187 538943001 /nfs/dbraw/zinc/94/30/01/538943001.db2.gz KFMSSFCPHZORGD-ONGXEEELSA-N 0 3 249.383 3.061 20 0 BGADHN CC(C)CC[C@@H](NCC(C)(C)O)c1ccoc1 ZINC000286036615 385989463 /nfs/dbraw/zinc/98/94/63/385989463.db2.gz KJBIVNXENKJKLJ-CYBMUJFWSA-N 0 3 239.359 3.117 20 0 BGADHN CC(C)CC[C@H](NCC(C)(C)O)c1ccoc1 ZINC000286036617 352072305 /nfs/dbraw/zinc/07/23/05/352072305.db2.gz KJBIVNXENKJKLJ-ZDUSSCGKSA-N 0 3 239.359 3.117 20 0 BGADHN Cc1ccnc([C@@H](C)N[C@@H]2CC=CCC2)c1 ZINC000286109556 387313861 /nfs/dbraw/zinc/31/38/61/387313861.db2.gz NAGJECDUHHKNDC-CHWSQXEVSA-N 0 3 216.328 3.149 20 0 BGADHN Cc1ccnc([C@@H](C)N[C@H]2CC=CCC2)c1 ZINC000286109559 387313617 /nfs/dbraw/zinc/31/36/17/387313617.db2.gz NAGJECDUHHKNDC-OLZOCXBDSA-N 0 3 216.328 3.149 20 0 BGADHN Cc1ccnc([C@H](C)N[C@@H]2CC=CCC2)c1 ZINC000286109561 387315005 /nfs/dbraw/zinc/31/50/05/387315005.db2.gz NAGJECDUHHKNDC-QWHCGFSZSA-N 0 3 216.328 3.149 20 0 BGADHN Cc1ccnc([C@H](C)N[C@H]2CC=CCC2)c1 ZINC000286109563 387314459 /nfs/dbraw/zinc/31/44/59/387314459.db2.gz NAGJECDUHHKNDC-STQMWFEESA-N 0 3 216.328 3.149 20 0 BGADHN C[C@@H](NCCC1=CCCCCC1)c1ncc[nH]1 ZINC000286116934 538943286 /nfs/dbraw/zinc/94/32/86/538943286.db2.gz NKFXOXCSHTZPKA-GFCCVEGCSA-N 0 3 233.359 3.341 20 0 BGADHN C[C@H](NCCC1=CCCCCC1)c1ncc[nH]1 ZINC000286116940 538943358 /nfs/dbraw/zinc/94/33/58/538943358.db2.gz NKFXOXCSHTZPKA-LBPRGKRZSA-N 0 3 233.359 3.341 20 0 BGADHN CCC1(CN[C@H](C)c2cc(C)ccn2)CC1 ZINC000286193591 387318650 /nfs/dbraw/zinc/31/86/50/387318650.db2.gz QYHSZWUFHHLEJX-GFCCVEGCSA-N 0 3 218.344 3.231 20 0 BGADHN CCC1(CN[C@@H](C)c2cc(C)ccn2)CC1 ZINC000286193593 387319331 /nfs/dbraw/zinc/31/93/31/387319331.db2.gz QYHSZWUFHHLEJX-LBPRGKRZSA-N 0 3 218.344 3.231 20 0 BGADHN COCC1(NCc2ccc3occc3c2)CCC1 ZINC000286237229 174110070 /nfs/dbraw/zinc/11/00/70/174110070.db2.gz ZKNONZJVQPWWHB-UHFFFAOYSA-N 0 3 245.322 3.092 20 0 BGADHN C[C@H](N[C@@H](C)[C@@H](C)c1ccccc1)c1ncc[nH]1 ZINC000286239820 538943586 /nfs/dbraw/zinc/94/35/86/538943586.db2.gz TYBQPLRAGKKPHQ-AGIUHOORSA-N 0 3 243.354 3.253 20 0 BGADHN C[C@H](c1ccccc1)[C@H](C)N[C@@H](C)c1ncc[nH]1 ZINC000286239823 538944027 /nfs/dbraw/zinc/94/40/27/538944027.db2.gz TYBQPLRAGKKPHQ-AVGNSLFASA-N 0 3 243.354 3.253 20 0 BGADHN C[C@@H](N[C@@H](C)c1ncc[nH]1)[C@@H](C)c1ccccc1 ZINC000286239827 538943549 /nfs/dbraw/zinc/94/35/49/538943549.db2.gz TYBQPLRAGKKPHQ-UPJWGTAASA-N 0 3 243.354 3.253 20 0 BGADHN C[C@@H](N[C@@H](C)c1ncc[nH]1)[C@H](C)c1ccccc1 ZINC000286239830 538944071 /nfs/dbraw/zinc/94/40/71/538944071.db2.gz TYBQPLRAGKKPHQ-XQQFMLRXSA-N 0 3 243.354 3.253 20 0 BGADHN CC[C@H](CN[C@H](C)c1ncc[nH]1)c1ccccc1 ZINC000286281796 538943905 /nfs/dbraw/zinc/94/39/05/538943905.db2.gz VTOOAEZRRHESHE-CHWSQXEVSA-N 0 3 243.354 3.254 20 0 BGADHN CC[C@@H](CN[C@H](C)c1ncc[nH]1)c1ccccc1 ZINC000286281799 538943783 /nfs/dbraw/zinc/94/37/83/538943783.db2.gz VTOOAEZRRHESHE-OLZOCXBDSA-N 0 3 243.354 3.254 20 0 BGADHN CC[C@H](CN[C@@H](C)c1ncc[nH]1)c1ccccc1 ZINC000286281801 538943630 /nfs/dbraw/zinc/94/36/30/538943630.db2.gz VTOOAEZRRHESHE-QWHCGFSZSA-N 0 3 243.354 3.254 20 0 BGADHN CC[C@@H](CN[C@@H](C)c1ncc[nH]1)c1ccccc1 ZINC000286281802 538943999 /nfs/dbraw/zinc/94/39/99/538943999.db2.gz VTOOAEZRRHESHE-STQMWFEESA-N 0 3 243.354 3.254 20 0 BGADHN C[C@@H](NC[C@@H](C)c1ccc(F)cc1)c1ncc[nH]1 ZINC000286297491 538943583 /nfs/dbraw/zinc/94/35/83/538943583.db2.gz WNILJOXKXCNVAD-GHMZBOCLSA-N 0 3 247.317 3.003 20 0 BGADHN C[C@H](CN[C@@H](C)c1ncc[nH]1)c1ccc(F)cc1 ZINC000286297495 538944057 /nfs/dbraw/zinc/94/40/57/538944057.db2.gz WNILJOXKXCNVAD-MNOVXSKESA-N 0 3 247.317 3.003 20 0 BGADHN C[C@@H](CN[C@@H](C)c1ncc[nH]1)c1ccc(F)cc1 ZINC000286297498 538943877 /nfs/dbraw/zinc/94/38/77/538943877.db2.gz WNILJOXKXCNVAD-QWRGUYRKSA-N 0 3 247.317 3.003 20 0 BGADHN C[C@@H](CN[C@H](C)c1ncc[nH]1)c1ccc(F)cc1 ZINC000286297502 538944047 /nfs/dbraw/zinc/94/40/47/538944047.db2.gz WNILJOXKXCNVAD-WDEREUQCSA-N 0 3 247.317 3.003 20 0 BGADHN Cc1ccnc([C@@H](C)NCC2(C(C)C)CC2)c1 ZINC000286314135 386024298 /nfs/dbraw/zinc/02/42/98/386024298.db2.gz XPNLSWXXBPMYGD-CYBMUJFWSA-N 0 3 232.371 3.477 20 0 BGADHN Cc1ccnc([C@H](C)NCC2(C(C)C)CC2)c1 ZINC000286314141 386023704 /nfs/dbraw/zinc/02/37/04/386023704.db2.gz XPNLSWXXBPMYGD-ZDUSSCGKSA-N 0 3 232.371 3.477 20 0 BGADHN Cc1ccnc([C@@H](C)NCC2(C3CC3)CC2)c1 ZINC000286337831 386026633 /nfs/dbraw/zinc/02/66/33/386026633.db2.gz YROWPTIZVYTANO-GFCCVEGCSA-N 0 3 230.355 3.231 20 0 BGADHN Cc1ccnc([C@H](C)NCC2(C3CC3)CC2)c1 ZINC000286337832 386027227 /nfs/dbraw/zinc/02/72/27/386027227.db2.gz YROWPTIZVYTANO-LBPRGKRZSA-N 0 3 230.355 3.231 20 0 BGADHN CO[C@@H](CNCc1ccc2occc2c1)C(C)C ZINC000286556904 386053235 /nfs/dbraw/zinc/05/32/35/386053235.db2.gz OVGFBSAWUIBYKD-HNNXBMFYSA-N 0 3 247.338 3.193 20 0 BGADHN CO[C@H](CNCc1ccc2occc2c1)C(C)C ZINC000286556907 386053590 /nfs/dbraw/zinc/05/35/90/386053590.db2.gz OVGFBSAWUIBYKD-OAHLLOKOSA-N 0 3 247.338 3.193 20 0 BGADHN C[C@H](c1cccs1)N(C)CCOC1CCC1 ZINC000286666430 177048460 /nfs/dbraw/zinc/04/84/60/177048460.db2.gz AEDAMSBNHOJTKC-LLVKDONJSA-N 0 3 239.384 3.310 20 0 BGADHN C[C@@H](c1cccs1)N(C)CCOC1CCC1 ZINC000286666434 176032462 /nfs/dbraw/zinc/03/24/62/176032462.db2.gz AEDAMSBNHOJTKC-NSHDSACASA-N 0 3 239.384 3.310 20 0 BGADHN COc1ccncc1CN(CC1CCC1)C(C)C ZINC000286676579 386065607 /nfs/dbraw/zinc/06/56/07/386065607.db2.gz ABPJBANVTBBXOQ-UHFFFAOYSA-N 0 3 248.370 3.101 20 0 BGADHN COc1ccncc1CN(C)C1CCCCCC1 ZINC000286714586 386070537 /nfs/dbraw/zinc/07/05/37/386070537.db2.gz CWKVCVYCOPQALR-UHFFFAOYSA-N 0 3 248.370 3.245 20 0 BGADHN COc1ccncc1CN1CCC[C@H]1C(C)(C)C ZINC000286737747 175370560 /nfs/dbraw/zinc/37/05/60/175370560.db2.gz FITFQNFAVUDWBM-AWEZNQCLSA-N 0 3 248.370 3.101 20 0 BGADHN COc1ccncc1CN1CCC[C@@H]1C(C)(C)C ZINC000286737749 187345933 /nfs/dbraw/zinc/34/59/33/187345933.db2.gz FITFQNFAVUDWBM-CQSZACIVSA-N 0 3 248.370 3.101 20 0 BGADHN CCN(CCOC1CCC1)Cc1cccs1 ZINC000286741931 386068756 /nfs/dbraw/zinc/06/87/56/386068756.db2.gz FQFOLRBZNXCVEX-UHFFFAOYSA-N 0 3 239.384 3.139 20 0 BGADHN CCCCCN[C@@H](C)c1cc(OC)ncc1F ZINC000286802036 386075503 /nfs/dbraw/zinc/07/55/03/386075503.db2.gz ARSRCIOHECMRQN-JTQLQIEISA-N 0 3 240.322 3.070 20 0 BGADHN CCCCCN[C@H](C)c1cc(OC)ncc1F ZINC000286802037 386074406 /nfs/dbraw/zinc/07/44/06/386074406.db2.gz ARSRCIOHECMRQN-SNVBAGLBSA-N 0 3 240.322 3.070 20 0 BGADHN Cc1ccc([C@@H](C)NC[C@@H]2CCCSC2)o1 ZINC000286845319 386077702 /nfs/dbraw/zinc/07/77/02/386077702.db2.gz ABDDYOPRHLGDSI-NEPJUHHUSA-N 0 3 239.384 3.382 20 0 BGADHN Cc1ccc([C@H](C)NC[C@H]2CCCSC2)o1 ZINC000286845321 386078093 /nfs/dbraw/zinc/07/80/93/386078093.db2.gz ABDDYOPRHLGDSI-NWDGAFQWSA-N 0 3 239.384 3.382 20 0 BGADHN Cc1ccc([C@H](C)NC[C@@H]2CCCSC2)o1 ZINC000286845325 386077925 /nfs/dbraw/zinc/07/79/25/386077925.db2.gz ABDDYOPRHLGDSI-RYUDHWBXSA-N 0 3 239.384 3.382 20 0 BGADHN Cc1ccc([C@@H](C)NC[C@H]2CCCSC2)o1 ZINC000286845326 386077344 /nfs/dbraw/zinc/07/73/44/386077344.db2.gz ABDDYOPRHLGDSI-VXGBXAGGSA-N 0 3 239.384 3.382 20 0 BGADHN CC[C@H](NCC1=CCCOC1)c1cccc(F)c1 ZINC000286880193 387345724 /nfs/dbraw/zinc/34/57/24/387345724.db2.gz CIVDVUHGJQLQNC-HNNXBMFYSA-N 0 3 249.329 3.213 20 0 BGADHN CC[C@@H](NCC1=CCCOC1)c1cccc(F)c1 ZINC000286880194 387345648 /nfs/dbraw/zinc/34/56/48/387345648.db2.gz CIVDVUHGJQLQNC-OAHLLOKOSA-N 0 3 249.329 3.213 20 0 BGADHN Cc1ccnc([C@H](C)N[C@H]2CCC2(C)C)c1 ZINC000286887093 387577904 /nfs/dbraw/zinc/57/79/04/387577904.db2.gz CVUHIHBKWHTWNH-AAEUAGOBSA-N 0 3 218.344 3.229 20 0 BGADHN Cc1ccnc([C@@H](C)N[C@@H]2CCC2(C)C)c1 ZINC000286887096 398135152 /nfs/dbraw/zinc/13/51/52/398135152.db2.gz CVUHIHBKWHTWNH-DGCLKSJQSA-N 0 3 218.344 3.229 20 0 BGADHN Cc1ccnc([C@H](C)N[C@@H]2CCC2(C)C)c1 ZINC000286887098 398135142 /nfs/dbraw/zinc/13/51/42/398135142.db2.gz CVUHIHBKWHTWNH-WCQYABFASA-N 0 3 218.344 3.229 20 0 BGADHN Cc1ccnc([C@@H](C)N[C@H]2CCC2(C)C)c1 ZINC000286887101 398135146 /nfs/dbraw/zinc/13/51/46/398135146.db2.gz CVUHIHBKWHTWNH-YPMHNXCESA-N 0 3 218.344 3.229 20 0 BGADHN C[C@@H](NC[C@H]1CCCSC1)c1ccco1 ZINC000286888565 398135086 /nfs/dbraw/zinc/13/50/86/398135086.db2.gz CXGSHJNMEZKWPX-GHMZBOCLSA-N 0 3 225.357 3.073 20 0 BGADHN C[C@@H](NC[C@@H]1CCCSC1)c1ccco1 ZINC000286888570 398135115 /nfs/dbraw/zinc/13/51/15/398135115.db2.gz CXGSHJNMEZKWPX-MNOVXSKESA-N 0 3 225.357 3.073 20 0 BGADHN C[C@H](NC[C@@H]1CCCSC1)c1ccco1 ZINC000286888574 398135107 /nfs/dbraw/zinc/13/51/07/398135107.db2.gz CXGSHJNMEZKWPX-QWRGUYRKSA-N 0 3 225.357 3.073 20 0 BGADHN C[C@H](NC[C@H]1CCCSC1)c1ccco1 ZINC000286888580 398135077 /nfs/dbraw/zinc/13/50/77/398135077.db2.gz CXGSHJNMEZKWPX-WDEREUQCSA-N 0 3 225.357 3.073 20 0 BGADHN Cc1ccsc1[C@@H](C)NCC1=CCCOC1 ZINC000286904497 387346662 /nfs/dbraw/zinc/34/66/62/387346662.db2.gz DRBKCENDLKJFOL-LLVKDONJSA-N 0 3 237.368 3.054 20 0 BGADHN Cc1ccsc1[C@H](C)NCC1=CCCOC1 ZINC000286904499 387347477 /nfs/dbraw/zinc/34/74/77/387347477.db2.gz DRBKCENDLKJFOL-NSHDSACASA-N 0 3 237.368 3.054 20 0 BGADHN CC(C)SCCN[C@@H]1CCCc2occc21 ZINC000286924568 167332734 /nfs/dbraw/zinc/33/27/34/167332734.db2.gz FUMKKYUJYNHUET-GFCCVEGCSA-N 0 3 239.384 3.388 20 0 BGADHN CC(C)SCCN[C@H]1CCCc2occc21 ZINC000286924569 167333333 /nfs/dbraw/zinc/33/33/33/167333333.db2.gz FUMKKYUJYNHUET-LBPRGKRZSA-N 0 3 239.384 3.388 20 0 BGADHN CC[C@@H](CO)N[C@@H](CCC(C)C)c1ccoc1 ZINC000286934915 386082622 /nfs/dbraw/zinc/08/26/22/386082622.db2.gz AXRBANTXXGAQMZ-KBPBESRZSA-N 0 3 239.359 3.117 20 0 BGADHN CC[C@@H](CO)N[C@H](CCC(C)C)c1ccoc1 ZINC000286936979 386083465 /nfs/dbraw/zinc/08/34/65/386083465.db2.gz AXRBANTXXGAQMZ-UONOGXRCSA-N 0 3 239.359 3.117 20 0 BGADHN CC[C@@H](C)N[C@H](C)c1nccn1-c1ccccc1 ZINC000286937950 386083689 /nfs/dbraw/zinc/08/36/89/386083689.db2.gz GSBORYAKAYDOCO-CHWSQXEVSA-N 0 3 243.354 3.321 20 0 BGADHN CC[C@@H](C)N[C@@H](C)c1nccn1-c1ccccc1 ZINC000286937955 386083720 /nfs/dbraw/zinc/08/37/20/386083720.db2.gz GSBORYAKAYDOCO-OLZOCXBDSA-N 0 3 243.354 3.321 20 0 BGADHN CC[C@H](C)N[C@H](C)c1nccn1-c1ccccc1 ZINC000286937960 171347973 /nfs/dbraw/zinc/34/79/73/171347973.db2.gz GSBORYAKAYDOCO-QWHCGFSZSA-N 0 3 243.354 3.321 20 0 BGADHN CC[C@H](C)N[C@@H](C)c1nccn1-c1ccccc1 ZINC000286937963 171346146 /nfs/dbraw/zinc/34/61/46/171346146.db2.gz GSBORYAKAYDOCO-STQMWFEESA-N 0 3 243.354 3.321 20 0 BGADHN CC1(C)CN(CCCF)[C@@H]1c1cccs1 ZINC000286945510 188209330 /nfs/dbraw/zinc/20/93/30/188209330.db2.gz MEYKBKOGRAQEQD-LLVKDONJSA-N 0 3 227.348 3.491 20 0 BGADHN CC1(C)CN(CCCF)[C@H]1c1cccs1 ZINC000286945512 386086805 /nfs/dbraw/zinc/08/68/05/386086805.db2.gz MEYKBKOGRAQEQD-NSHDSACASA-N 0 3 227.348 3.491 20 0 BGADHN CO[C@@H](C)CN1CC(C)(C)[C@H]1c1cccs1 ZINC000286987769 386088576 /nfs/dbraw/zinc/08/85/76/386088576.db2.gz PEUOIJKIILGORB-CMPLNLGQSA-N 0 3 239.384 3.166 20 0 BGADHN CO[C@@H](C)CN1CC(C)(C)[C@@H]1c1cccs1 ZINC000286987774 386088409 /nfs/dbraw/zinc/08/84/09/386088409.db2.gz PEUOIJKIILGORB-JQWIXIFHSA-N 0 3 239.384 3.166 20 0 BGADHN CO[C@H](C)CN1CC(C)(C)[C@@H]1c1cccs1 ZINC000286987778 386090396 /nfs/dbraw/zinc/09/03/96/386090396.db2.gz PEUOIJKIILGORB-PWSUYJOCSA-N 0 3 239.384 3.166 20 0 BGADHN CO[C@H](C)CN1CC(C)(C)[C@H]1c1cccs1 ZINC000286987783 386089304 /nfs/dbraw/zinc/08/93/04/386089304.db2.gz PEUOIJKIILGORB-ZYHUDNBSSA-N 0 3 239.384 3.166 20 0 BGADHN Cc1cncc([C@@H](C)NCCSC(C)C)c1 ZINC000286994822 387349009 /nfs/dbraw/zinc/34/90/09/387349009.db2.gz JTSAHKIKTWQSNT-GFCCVEGCSA-N 0 3 238.400 3.182 20 0 BGADHN Cc1cncc([C@H](C)NCCSC(C)C)c1 ZINC000286994830 387349557 /nfs/dbraw/zinc/34/95/57/387349557.db2.gz JTSAHKIKTWQSNT-LBPRGKRZSA-N 0 3 238.400 3.182 20 0 BGADHN CN(Cc1ccccn1)C1CCC(F)(F)CC1 ZINC000287008851 386089448 /nfs/dbraw/zinc/08/94/48/386089448.db2.gz QNWPIDBMKWZHTO-UHFFFAOYSA-N 0 3 240.297 3.091 20 0 BGADHN COCCCN1CC(C)(C)[C@H]1c1cccs1 ZINC000287023524 174225690 /nfs/dbraw/zinc/22/56/90/174225690.db2.gz ROXCKMZLCXSGME-GFCCVEGCSA-N 0 3 239.384 3.168 20 0 BGADHN COCCCN1CC(C)(C)[C@@H]1c1cccs1 ZINC000287023527 174225996 /nfs/dbraw/zinc/22/59/96/174225996.db2.gz ROXCKMZLCXSGME-LBPRGKRZSA-N 0 3 239.384 3.168 20 0 BGADHN CC[C@H](NCC1=CCCOC1)c1ccccc1F ZINC000287061760 387358419 /nfs/dbraw/zinc/35/84/19/387358419.db2.gz NMZOLJYOZGFRDO-HNNXBMFYSA-N 0 3 249.329 3.213 20 0 BGADHN CC[C@@H](NCC1=CCCOC1)c1ccccc1F ZINC000287061762 387358313 /nfs/dbraw/zinc/35/83/13/387358313.db2.gz NMZOLJYOZGFRDO-OAHLLOKOSA-N 0 3 249.329 3.213 20 0 BGADHN CC[C@@H](N[C@H](C)CF)c1ccc(F)cc1 ZINC000287064904 359431679 /nfs/dbraw/zinc/43/16/79/359431679.db2.gz AZXYEQZMLSHBMJ-BXKDBHETSA-N 0 3 213.271 3.224 20 0 BGADHN CC[C@H](N[C@@H](C)CF)c1ccc(F)cc1 ZINC000287064905 387362413 /nfs/dbraw/zinc/36/24/13/387362413.db2.gz AZXYEQZMLSHBMJ-CABZTGNLSA-N 0 3 213.271 3.224 20 0 BGADHN CC[C@@H](N[C@@H](C)CF)c1ccc(F)cc1 ZINC000287064906 359431578 /nfs/dbraw/zinc/43/15/78/359431578.db2.gz AZXYEQZMLSHBMJ-JOYOIKCWSA-N 0 3 213.271 3.224 20 0 BGADHN CC[C@H](N[C@H](C)CF)c1ccc(F)cc1 ZINC000287064907 387361527 /nfs/dbraw/zinc/36/15/27/387361527.db2.gz AZXYEQZMLSHBMJ-SKDRFNHKSA-N 0 3 213.271 3.224 20 0 BGADHN Cc1ccnc([C@@H](C)NCCSC(C)C)c1 ZINC000287081892 188223667 /nfs/dbraw/zinc/22/36/67/188223667.db2.gz OTBRRJOXFLUMPG-GFCCVEGCSA-N 0 3 238.400 3.182 20 0 BGADHN Cc1ccnc([C@H](C)NCCSC(C)C)c1 ZINC000287081894 187362316 /nfs/dbraw/zinc/36/23/16/187362316.db2.gz OTBRRJOXFLUMPG-LBPRGKRZSA-N 0 3 238.400 3.182 20 0 BGADHN CSCCN1CC(C)(C)[C@H]1c1cccs1 ZINC000287107553 386095003 /nfs/dbraw/zinc/09/50/03/386095003.db2.gz YEWXSXVLJISOEZ-LLVKDONJSA-N 0 3 241.425 3.494 20 0 BGADHN CSCCN1CC(C)(C)[C@@H]1c1cccs1 ZINC000287107557 386094866 /nfs/dbraw/zinc/09/48/66/386094866.db2.gz YEWXSXVLJISOEZ-NSHDSACASA-N 0 3 241.425 3.494 20 0 BGADHN CCC(CC)N[C@H](C)c1cc(OC)ncc1F ZINC000287120049 168392637 /nfs/dbraw/zinc/39/26/37/168392637.db2.gz YBGXYCWJQSWJDI-SECBINFHSA-N 0 3 240.322 3.069 20 0 BGADHN CCC(CC)N[C@@H](C)c1cc(OC)ncc1F ZINC000287120053 168391391 /nfs/dbraw/zinc/39/13/91/168391391.db2.gz YBGXYCWJQSWJDI-VIFPVBQESA-N 0 3 240.322 3.069 20 0 BGADHN COC[C@H](C)N1CC(C)(C)[C@H]1c1cccs1 ZINC000287126703 411461498 /nfs/dbraw/zinc/46/14/98/411461498.db2.gz ZNUDEAGHSMOPNE-CMPLNLGQSA-N 0 3 239.384 3.166 20 0 BGADHN COC[C@H](C)N1CC(C)(C)[C@@H]1c1cccs1 ZINC000287126709 411461433 /nfs/dbraw/zinc/46/14/33/411461433.db2.gz ZNUDEAGHSMOPNE-JQWIXIFHSA-N 0 3 239.384 3.166 20 0 BGADHN COC[C@@H](C)N1CC(C)(C)[C@@H]1c1cccs1 ZINC000287126714 411461132 /nfs/dbraw/zinc/46/11/32/411461132.db2.gz ZNUDEAGHSMOPNE-PWSUYJOCSA-N 0 3 239.384 3.166 20 0 BGADHN COC[C@@H](C)N1CC(C)(C)[C@H]1c1cccs1 ZINC000287126718 411461422 /nfs/dbraw/zinc/46/14/22/411461422.db2.gz ZNUDEAGHSMOPNE-ZYHUDNBSSA-N 0 3 239.384 3.166 20 0 BGADHN COCC(C)(C)CCCN[C@H](C)c1ccco1 ZINC000287223431 174068095 /nfs/dbraw/zinc/06/80/95/174068095.db2.gz XRSUJUCZHBNGII-GFCCVEGCSA-N 0 3 239.359 3.383 20 0 BGADHN COCC(C)(C)CCCN[C@@H](C)c1ccco1 ZINC000287223434 174068851 /nfs/dbraw/zinc/06/88/51/174068851.db2.gz XRSUJUCZHBNGII-LBPRGKRZSA-N 0 3 239.359 3.383 20 0 BGADHN C[C@H](c1ccccc1)N(C)CCOC1CCC1 ZINC000287235501 177037204 /nfs/dbraw/zinc/03/72/04/177037204.db2.gz JROAIXFJLZGHTO-CYBMUJFWSA-N 0 3 233.355 3.249 20 0 BGADHN C[C@@H](c1ccccc1)N(C)CCOC1CCC1 ZINC000287235504 176019993 /nfs/dbraw/zinc/01/99/93/176019993.db2.gz JROAIXFJLZGHTO-ZDUSSCGKSA-N 0 3 233.355 3.249 20 0 BGADHN CC(C)SCCN[C@@H](C)c1ccc(F)cn1 ZINC000287239863 167331935 /nfs/dbraw/zinc/33/19/35/167331935.db2.gz YSWQUUBWCNTGRH-JTQLQIEISA-N 0 3 242.363 3.013 20 0 BGADHN CC(C)SCCN[C@H](C)c1ccc(F)cn1 ZINC000287239866 167332126 /nfs/dbraw/zinc/33/21/26/167332126.db2.gz YSWQUUBWCNTGRH-SNVBAGLBSA-N 0 3 242.363 3.013 20 0 BGADHN C[C@@H](N[C@@H]1CCC1(C)C)c1ccc(F)cn1 ZINC000287255410 387388092 /nfs/dbraw/zinc/38/80/92/387388092.db2.gz ZRTIGMUWLYVJOV-BXKDBHETSA-N 0 3 222.307 3.060 20 0 BGADHN C[C@H](N[C@H]1CCC1(C)C)c1ccc(F)cn1 ZINC000287255412 387388307 /nfs/dbraw/zinc/38/83/07/387388307.db2.gz ZRTIGMUWLYVJOV-CABZTGNLSA-N 0 3 222.307 3.060 20 0 BGADHN C[C@H](N[C@@H]1CCC1(C)C)c1ccc(F)cn1 ZINC000287255416 387389550 /nfs/dbraw/zinc/38/95/50/387389550.db2.gz ZRTIGMUWLYVJOV-JOYOIKCWSA-N 0 3 222.307 3.060 20 0 BGADHN C[C@@H](N[C@H]1CCC1(C)C)c1ccc(F)cn1 ZINC000287255420 387388825 /nfs/dbraw/zinc/38/88/25/387388825.db2.gz ZRTIGMUWLYVJOV-SKDRFNHKSA-N 0 3 222.307 3.060 20 0 BGADHN c1ccc2c(c1)CCCN(CCOC1CCC1)C2 ZINC000287278682 386109360 /nfs/dbraw/zinc/10/93/60/386109360.db2.gz LPRCMWNYLJJAGP-UHFFFAOYSA-N 0 3 245.366 3.004 20 0 BGADHN CC(C)(NCCOC1CCC1)c1ccccc1 ZINC000287303136 187345958 /nfs/dbraw/zinc/34/59/58/187345958.db2.gz MSQHXUCNNMQUDA-UHFFFAOYSA-N 0 3 233.355 3.080 20 0 BGADHN CC(C)=CCN[C@H](C)c1cc(C)ccn1 ZINC000287316023 188209631 /nfs/dbraw/zinc/20/96/31/188209631.db2.gz FHCUHMVTUSULST-GFCCVEGCSA-N 0 3 204.317 3.007 20 0 BGADHN CC(C)=CCN[C@@H](C)c1cc(C)ccn1 ZINC000287316027 411230341 /nfs/dbraw/zinc/23/03/41/411230341.db2.gz FHCUHMVTUSULST-LBPRGKRZSA-N 0 3 204.317 3.007 20 0 BGADHN CCN(Cc1cnccc1OC)C1CCCCC1 ZINC000287340509 352122841 /nfs/dbraw/zinc/12/28/41/352122841.db2.gz OPKOICTUGYURLB-UHFFFAOYSA-N 0 3 248.370 3.245 20 0 BGADHN CC(C)CN[C@H](C)c1nccn1-c1ccccc1 ZINC000287348271 167013284 /nfs/dbraw/zinc/01/32/84/167013284.db2.gz XDVNCHDUUMYLTR-CYBMUJFWSA-N 0 3 243.354 3.179 20 0 BGADHN CC(C)CN[C@@H](C)c1nccn1-c1ccccc1 ZINC000287348273 167011115 /nfs/dbraw/zinc/01/11/15/167011115.db2.gz XDVNCHDUUMYLTR-ZDUSSCGKSA-N 0 3 243.354 3.179 20 0 BGADHN CN(CCOC1CCC1)[C@H]1CCc2ccccc21 ZINC000287361986 386117064 /nfs/dbraw/zinc/11/70/64/386117064.db2.gz PSJAVOSCDSEPMR-INIZCTEOSA-N 0 3 245.366 3.175 20 0 BGADHN CN(CCOC1CCC1)[C@@H]1CCc2ccccc21 ZINC000287361989 386117263 /nfs/dbraw/zinc/11/72/63/386117263.db2.gz PSJAVOSCDSEPMR-MRXNPFEDSA-N 0 3 245.366 3.175 20 0 BGADHN Cc1ccnc([C@@H](C)NCCC2(C)CC2)c1 ZINC000287378974 387419863 /nfs/dbraw/zinc/41/98/63/387419863.db2.gz ICFROTJYQAKNAZ-GFCCVEGCSA-N 0 3 218.344 3.231 20 0 BGADHN Cc1ccnc([C@H](C)NCCC2(C)CC2)c1 ZINC000287378981 387420329 /nfs/dbraw/zinc/42/03/29/387420329.db2.gz ICFROTJYQAKNAZ-LBPRGKRZSA-N 0 3 218.344 3.231 20 0 BGADHN COc1ccncc1CN(C)C1CCC(C)CC1 ZINC000287407418 386119992 /nfs/dbraw/zinc/11/99/92/386119992.db2.gz SCXBCUHYAGCYIY-UHFFFAOYSA-N 0 3 248.370 3.101 20 0 BGADHN CC(C)CC[C@H](NCCCCO)c1ccoc1 ZINC000287519958 386128877 /nfs/dbraw/zinc/12/88/77/386128877.db2.gz OMGOLGJSTZWCOH-AWEZNQCLSA-N 0 3 239.359 3.119 20 0 BGADHN CC(C)CC[C@@H](NCCCCO)c1ccoc1 ZINC000287519967 386129593 /nfs/dbraw/zinc/12/95/93/386129593.db2.gz OMGOLGJSTZWCOH-CQSZACIVSA-N 0 3 239.359 3.119 20 0 BGADHN C[C@@H](N[C@H]1C[C@H](c2ccccc2)C1)c1ncc[nH]1 ZINC000287540055 538944975 /nfs/dbraw/zinc/94/49/75/538944975.db2.gz PGUIGXMTNLCLSI-MRVWCRGKSA-N 0 3 241.338 3.007 20 0 BGADHN C[C@H](N[C@H]1C[C@H](c2ccccc2)C1)c1ncc[nH]1 ZINC000287540060 538944767 /nfs/dbraw/zinc/94/47/67/538944767.db2.gz PGUIGXMTNLCLSI-UBHSHLNASA-N 0 3 241.338 3.007 20 0 BGADHN CCC(C)(C)CN[C@H](C)c1cc(C)ccn1 ZINC000287555582 168281796 /nfs/dbraw/zinc/28/17/96/168281796.db2.gz PXNSDCDLPYKEPE-GFCCVEGCSA-N 0 3 220.360 3.477 20 0 BGADHN CCC(C)(C)CN[C@@H](C)c1cc(C)ccn1 ZINC000287555586 168281449 /nfs/dbraw/zinc/28/14/49/168281449.db2.gz PXNSDCDLPYKEPE-LBPRGKRZSA-N 0 3 220.360 3.477 20 0 BGADHN CC(C)=CCCN[C@H](C)c1cc(C)ccn1 ZINC000287578188 187240718 /nfs/dbraw/zinc/24/07/18/187240718.db2.gz QWVNSLGOHWRCJX-CYBMUJFWSA-N 0 3 218.344 3.397 20 0 BGADHN CC(C)=CCCN[C@@H](C)c1cc(C)ccn1 ZINC000287578191 387460837 /nfs/dbraw/zinc/46/08/37/387460837.db2.gz QWVNSLGOHWRCJX-ZDUSSCGKSA-N 0 3 218.344 3.397 20 0 BGADHN CCSCCCN[C@H](C)c1cc(C)ccn1 ZINC000287597957 387494900 /nfs/dbraw/zinc/49/49/00/387494900.db2.gz RVYKCJLXOWLVKV-GFCCVEGCSA-N 0 3 238.400 3.184 20 0 BGADHN CCSCCCN[C@@H](C)c1cc(C)ccn1 ZINC000287597960 387494959 /nfs/dbraw/zinc/49/49/59/387494959.db2.gz RVYKCJLXOWLVKV-LBPRGKRZSA-N 0 3 238.400 3.184 20 0 BGADHN COc1ccncc1CN[C@H](C)C1CCCCC1 ZINC000287604916 175372999 /nfs/dbraw/zinc/37/29/99/175372999.db2.gz DKRFXTHTCGNJIW-GFCCVEGCSA-N 0 3 248.370 3.149 20 0 BGADHN COc1ccncc1CN[C@@H](C)C1CCCCC1 ZINC000287604921 175371735 /nfs/dbraw/zinc/37/17/35/175371735.db2.gz DKRFXTHTCGNJIW-LBPRGKRZSA-N 0 3 248.370 3.149 20 0 BGADHN CO[C@@H](C)CN[C@H](CCC(C)C)c1ccoc1 ZINC000287608230 174706608 /nfs/dbraw/zinc/70/66/08/174706608.db2.gz SIOMYBWGWIHSKO-GXTWGEPZSA-N 0 3 239.359 3.381 20 0 BGADHN CO[C@@H](C)CN[C@@H](CCC(C)C)c1ccoc1 ZINC000287608234 386137938 /nfs/dbraw/zinc/13/79/38/386137938.db2.gz SIOMYBWGWIHSKO-JSGCOSHPSA-N 0 3 239.359 3.381 20 0 BGADHN CO[C@H](C)CN[C@@H](CCC(C)C)c1ccoc1 ZINC000287608239 386137572 /nfs/dbraw/zinc/13/75/72/386137572.db2.gz SIOMYBWGWIHSKO-OCCSQVGLSA-N 0 3 239.359 3.381 20 0 BGADHN CO[C@H](C)CN[C@H](CCC(C)C)c1ccoc1 ZINC000287608244 174836134 /nfs/dbraw/zinc/83/61/34/174836134.db2.gz SIOMYBWGWIHSKO-TZMCWYRMSA-N 0 3 239.359 3.381 20 0 BGADHN COc1ccncc1CN(C(C)C)C1CCCC1 ZINC000287679864 187693840 /nfs/dbraw/zinc/69/38/40/187693840.db2.gz ICZQDSCQCMFIHA-UHFFFAOYSA-N 0 3 248.370 3.243 20 0 BGADHN Cc1cccc(CCCN[C@H](C)c2ccco2)n1 ZINC000287728411 179056268 /nfs/dbraw/zinc/05/62/68/179056268.db2.gz YGWZQIKGMXFKKT-CYBMUJFWSA-N 0 3 244.338 3.266 20 0 BGADHN Cc1cccc(CCCN[C@@H](C)c2ccco2)n1 ZINC000287728427 179055636 /nfs/dbraw/zinc/05/56/36/179055636.db2.gz YGWZQIKGMXFKKT-ZDUSSCGKSA-N 0 3 244.338 3.266 20 0 BGADHN COC[C@H](NCCC=C(C)C)c1ccccc1 ZINC000287730058 174579352 /nfs/dbraw/zinc/57/93/52/174579352.db2.gz PDAZOSAVNRMNSR-HNNXBMFYSA-N 0 3 233.355 3.320 20 0 BGADHN COC[C@@H](NCCC=C(C)C)c1ccccc1 ZINC000287730062 387500043 /nfs/dbraw/zinc/50/00/43/387500043.db2.gz PDAZOSAVNRMNSR-OAHLLOKOSA-N 0 3 233.355 3.320 20 0 BGADHN c1ccc(C2(NCCOC3CCC3)CCC2)cc1 ZINC000287754701 183389111 /nfs/dbraw/zinc/38/91/11/183389111.db2.gz LVRBQMCFPHFQKI-UHFFFAOYSA-N 0 3 245.366 3.225 20 0 BGADHN C[C@H]1CN(CCOC2CCC2)[C@@H]1c1ccccc1 ZINC000287758642 177252305 /nfs/dbraw/zinc/25/23/05/177252305.db2.gz MAZDZBHUDWIXFH-BBRMVZONSA-N 0 3 245.366 3.249 20 0 BGADHN C[C@@H]1CN(CCOC2CCC2)[C@@H]1c1ccccc1 ZINC000287758648 176292261 /nfs/dbraw/zinc/29/22/61/176292261.db2.gz MAZDZBHUDWIXFH-CJNGLKHVSA-N 0 3 245.366 3.249 20 0 BGADHN C[C@@H]1CN(CCOC2CCC2)[C@H]1c1ccccc1 ZINC000287758652 176292023 /nfs/dbraw/zinc/29/20/23/176292023.db2.gz MAZDZBHUDWIXFH-CZUORRHYSA-N 0 3 245.366 3.249 20 0 BGADHN C[C@H]1CN(CCOC2CCC2)[C@H]1c1ccccc1 ZINC000287758657 177253081 /nfs/dbraw/zinc/25/30/81/177253081.db2.gz MAZDZBHUDWIXFH-XJKSGUPXSA-N 0 3 245.366 3.249 20 0 BGADHN CC[C@@H](c1ccncc1)N(C)CCOC1CCC1 ZINC000287921953 352137438 /nfs/dbraw/zinc/13/74/38/352137438.db2.gz WDKSYFUWJWITKB-HNNXBMFYSA-N 0 3 248.370 3.034 20 0 BGADHN CC[C@H](c1ccncc1)N(C)CCOC1CCC1 ZINC000287921956 171601084 /nfs/dbraw/zinc/60/10/84/171601084.db2.gz WDKSYFUWJWITKB-OAHLLOKOSA-N 0 3 248.370 3.034 20 0 BGADHN CC(C)SCCNCc1cccc(F)c1 ZINC000288318466 167331091 /nfs/dbraw/zinc/33/10/91/167331091.db2.gz ADPIJJNSWXXQLX-UHFFFAOYSA-N 0 3 227.348 3.057 20 0 BGADHN CCCc1cccc(CNCC2=CCCOC2)c1 ZINC000288324131 188209974 /nfs/dbraw/zinc/20/99/74/188209974.db2.gz ADQHSRPUJOJXDC-UHFFFAOYSA-N 0 3 245.366 3.075 20 0 BGADHN CC(C)c1ccc(CN[C@H](C)CF)cc1 ZINC000288336888 387974447 /nfs/dbraw/zinc/97/44/47/387974447.db2.gz BBABEAANYVPYTJ-LLVKDONJSA-N 0 3 209.308 3.258 20 0 BGADHN CC(C)c1ccc(CN[C@@H](C)CF)cc1 ZINC000288336893 167599459 /nfs/dbraw/zinc/59/94/59/167599459.db2.gz BBABEAANYVPYTJ-NSHDSACASA-N 0 3 209.308 3.258 20 0 BGADHN C[C@H](CF)N[C@H](C)Cc1cccc(Cl)c1 ZINC000288336999 387975151 /nfs/dbraw/zinc/97/51/51/387975151.db2.gz BCLZBBGUNGDPLC-NXEZZACHSA-N 0 3 229.726 3.219 20 0 BGADHN C[C@@H](CF)N[C@@H](C)Cc1cccc(Cl)c1 ZINC000288337001 387975356 /nfs/dbraw/zinc/97/53/56/387975356.db2.gz BCLZBBGUNGDPLC-UWVGGRQHSA-N 0 3 229.726 3.219 20 0 BGADHN C[C@H](CF)N[C@@H](C)Cc1cccc(Cl)c1 ZINC000288337004 387974102 /nfs/dbraw/zinc/97/41/02/387974102.db2.gz BCLZBBGUNGDPLC-VHSXEESVSA-N 0 3 229.726 3.219 20 0 BGADHN C[C@H](Cc1cccc(Cl)c1)N[C@@H](C)CF ZINC000288337006 387974968 /nfs/dbraw/zinc/97/49/68/387974968.db2.gz BCLZBBGUNGDPLC-ZJUUUORDSA-N 0 3 229.726 3.219 20 0 BGADHN C[C@H](CF)NCc1cccc2ccccc21 ZINC000288352386 387980592 /nfs/dbraw/zinc/98/05/92/387980592.db2.gz CENZAHCZGSQHFK-LLVKDONJSA-N 0 3 217.287 3.287 20 0 BGADHN C[C@@H](CF)NCc1cccc2ccccc21 ZINC000288352389 387980787 /nfs/dbraw/zinc/98/07/87/387980787.db2.gz CENZAHCZGSQHFK-NSHDSACASA-N 0 3 217.287 3.287 20 0 BGADHN CC(C)[C@@H](CN[C@@H](C)CF)c1ccccc1 ZINC000288352552 167398866 /nfs/dbraw/zinc/39/88/66/167398866.db2.gz CGWUXZAIEMIFGE-GXTWGEPZSA-N 0 3 223.335 3.374 20 0 BGADHN CC(C)[C@H](CN[C@@H](C)CF)c1ccccc1 ZINC000288352554 188096432 /nfs/dbraw/zinc/09/64/32/188096432.db2.gz CGWUXZAIEMIFGE-JSGCOSHPSA-N 0 3 223.335 3.374 20 0 BGADHN CC(C)[C@H](CN[C@H](C)CF)c1ccccc1 ZINC000288352557 187241082 /nfs/dbraw/zinc/24/10/82/187241082.db2.gz CGWUXZAIEMIFGE-OCCSQVGLSA-N 0 3 223.335 3.374 20 0 BGADHN CC(C)[C@@H](CN[C@H](C)CF)c1ccccc1 ZINC000288352559 167399131 /nfs/dbraw/zinc/39/91/31/167399131.db2.gz CGWUXZAIEMIFGE-TZMCWYRMSA-N 0 3 223.335 3.374 20 0 BGADHN C[C@H](CF)NCc1cccc(-c2ccccn2)c1 ZINC000288373765 386193552 /nfs/dbraw/zinc/19/35/52/386193552.db2.gz FKWQRSNQXBAYQM-GFCCVEGCSA-N 0 3 244.313 3.196 20 0 BGADHN C[C@@H](CF)NCc1cccc(-c2ccccn2)c1 ZINC000288375413 386194063 /nfs/dbraw/zinc/19/40/63/386194063.db2.gz FKWQRSNQXBAYQM-LBPRGKRZSA-N 0 3 244.313 3.196 20 0 BGADHN C[C@H](CF)N[C@H](C)Cc1ccc(Cl)cc1 ZINC000288381277 398251712 /nfs/dbraw/zinc/25/17/12/398251712.db2.gz FZQJAONYKUIXIY-NXEZZACHSA-N 0 3 229.726 3.219 20 0 BGADHN C[C@@H](CF)N[C@@H](C)Cc1ccc(Cl)cc1 ZINC000288381282 388370408 /nfs/dbraw/zinc/37/04/08/388370408.db2.gz FZQJAONYKUIXIY-UWVGGRQHSA-N 0 3 229.726 3.219 20 0 BGADHN C[C@H](CF)N[C@@H](C)Cc1ccc(Cl)cc1 ZINC000288381286 388370064 /nfs/dbraw/zinc/37/00/64/388370064.db2.gz FZQJAONYKUIXIY-VHSXEESVSA-N 0 3 229.726 3.219 20 0 BGADHN C[C@H](Cc1ccc(Cl)cc1)N[C@@H](C)CF ZINC000288381290 388370041 /nfs/dbraw/zinc/37/00/41/388370041.db2.gz FZQJAONYKUIXIY-ZJUUUORDSA-N 0 3 229.726 3.219 20 0 BGADHN C[C@H](CF)NCc1ccc2ccccc2c1 ZINC000288396124 398081901 /nfs/dbraw/zinc/08/19/01/398081901.db2.gz HMCYMGVPCZRXOM-LLVKDONJSA-N 0 3 217.287 3.287 20 0 BGADHN C[C@@H](CF)NCc1ccc2ccccc2c1 ZINC000288396125 175693592 /nfs/dbraw/zinc/69/35/92/175693592.db2.gz HMCYMGVPCZRXOM-NSHDSACASA-N 0 3 217.287 3.287 20 0 BGADHN C[C@H](CF)NCc1cc2ccccc2s1 ZINC000288402514 388417966 /nfs/dbraw/zinc/41/79/66/388417966.db2.gz IDPIXCLZNGFSEZ-SECBINFHSA-N 0 3 223.316 3.349 20 0 BGADHN C[C@@H](CF)NCc1cc2ccccc2s1 ZINC000288402515 490138586 /nfs/dbraw/zinc/13/85/86/490138586.db2.gz IDPIXCLZNGFSEZ-VIFPVBQESA-N 0 3 223.316 3.349 20 0 BGADHN C[C@H](CF)NCc1cccc(-c2cccnc2)c1 ZINC000288404551 386195914 /nfs/dbraw/zinc/19/59/14/386195914.db2.gz IFOFHSDZAGJIQJ-GFCCVEGCSA-N 0 3 244.313 3.196 20 0 BGADHN C[C@@H](CF)NCc1cccc(-c2cccnc2)c1 ZINC000288404554 386195534 /nfs/dbraw/zinc/19/55/34/386195534.db2.gz IFOFHSDZAGJIQJ-LBPRGKRZSA-N 0 3 244.313 3.196 20 0 BGADHN C[C@H](CF)N[C@H]1CC[C@@H](c2ccccc2)C1 ZINC000288419259 388458683 /nfs/dbraw/zinc/45/86/83/388458683.db2.gz JOMXREONAAJYNM-BNOWGMLFSA-N 0 3 221.319 3.270 20 0 BGADHN C[C@H](CF)N[C@@H]1CC[C@H](c2ccccc2)C1 ZINC000288419264 388459136 /nfs/dbraw/zinc/45/91/36/388459136.db2.gz JOMXREONAAJYNM-KWCYVHTRSA-N 0 3 221.319 3.270 20 0 BGADHN C[C@H](CF)N[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000288419268 388459058 /nfs/dbraw/zinc/45/90/58/388459058.db2.gz JOMXREONAAJYNM-MRVWCRGKSA-N 0 3 221.319 3.270 20 0 BGADHN C[C@H](CF)N[C@H]1CC[C@H](c2ccccc2)C1 ZINC000288419274 388459067 /nfs/dbraw/zinc/45/90/67/388459067.db2.gz JOMXREONAAJYNM-XBFCOCLRSA-N 0 3 221.319 3.270 20 0 BGADHN C[C@H](CF)NC[C@@H](C)c1cccc(Cl)c1 ZINC000288419406 388460022 /nfs/dbraw/zinc/46/00/22/388460022.db2.gz JQCPAKIGTIRYOK-NXEZZACHSA-N 0 3 229.726 3.391 20 0 BGADHN C[C@@H](CN[C@@H](C)CF)c1cccc(Cl)c1 ZINC000288419409 388459782 /nfs/dbraw/zinc/45/97/82/388459782.db2.gz JQCPAKIGTIRYOK-UWVGGRQHSA-N 0 3 229.726 3.391 20 0 BGADHN C[C@H](CF)NC[C@H](C)c1cccc(Cl)c1 ZINC000288419414 388460009 /nfs/dbraw/zinc/46/00/09/388460009.db2.gz JQCPAKIGTIRYOK-VHSXEESVSA-N 0 3 229.726 3.391 20 0 BGADHN C[C@@H](CF)NC[C@@H](C)c1cccc(Cl)c1 ZINC000288419419 388459718 /nfs/dbraw/zinc/45/97/18/388459718.db2.gz JQCPAKIGTIRYOK-ZJUUUORDSA-N 0 3 229.726 3.391 20 0 BGADHN C[C@H](CF)NCc1csc2ccccc12 ZINC000288423393 388564533 /nfs/dbraw/zinc/56/45/33/388564533.db2.gz KBLGNPLTTDSIQJ-SECBINFHSA-N 0 3 223.316 3.349 20 0 BGADHN C[C@@H](CF)NCc1csc2ccccc12 ZINC000288423396 388564426 /nfs/dbraw/zinc/56/44/26/388564426.db2.gz KBLGNPLTTDSIQJ-VIFPVBQESA-N 0 3 223.316 3.349 20 0 BGADHN Cc1cc(C)c(CNCC2=CCCOC2)cc1C ZINC000288427087 388564456 /nfs/dbraw/zinc/56/44/56/388564456.db2.gz KMFQBFHVOZMAIV-UHFFFAOYSA-N 0 3 245.366 3.048 20 0 BGADHN COc1ccc(CN[C@H](C)CF)c2ccccc12 ZINC000288428833 175111230 /nfs/dbraw/zinc/11/12/30/175111230.db2.gz KQKQMRQFFOGIEV-LLVKDONJSA-N 0 3 247.313 3.296 20 0 BGADHN COc1ccc(CN[C@@H](C)CF)c2ccccc12 ZINC000288428836 175109201 /nfs/dbraw/zinc/10/92/01/175109201.db2.gz KQKQMRQFFOGIEV-NSHDSACASA-N 0 3 247.313 3.296 20 0 BGADHN Cc1cc(C)c(CN[C@H](C)CF)cc1C ZINC000288436471 388626086 /nfs/dbraw/zinc/62/60/86/388626086.db2.gz LLJVXLVELXRCGF-GFCCVEGCSA-N 0 3 209.308 3.059 20 0 BGADHN Cc1cc(C)c(CN[C@@H](C)CF)cc1C ZINC000288436474 388626049 /nfs/dbraw/zinc/62/60/49/388626049.db2.gz LLJVXLVELXRCGF-LBPRGKRZSA-N 0 3 209.308 3.059 20 0 BGADHN Fc1ccccc1CNC[C@H]1CCCSC1 ZINC000288494953 181013607 /nfs/dbraw/zinc/01/36/07/181013607.db2.gz RJGRHFVJVQTVAL-LLVKDONJSA-N 0 3 239.359 3.059 20 0 BGADHN Fc1ccccc1CNC[C@@H]1CCCSC1 ZINC000288494956 181013160 /nfs/dbraw/zinc/01/31/60/181013160.db2.gz RJGRHFVJVQTVAL-NSHDSACASA-N 0 3 239.359 3.059 20 0 BGADHN Cc1cc(C)c(CN[C@H](C)CF)c(C)c1 ZINC000288497108 388739907 /nfs/dbraw/zinc/73/99/07/388739907.db2.gz RNLKTUXBZSOYQD-GFCCVEGCSA-N 0 3 209.308 3.059 20 0 BGADHN Cc1cc(C)c(CN[C@@H](C)CF)c(C)c1 ZINC000288497109 388739360 /nfs/dbraw/zinc/73/93/60/388739360.db2.gz RNLKTUXBZSOYQD-LBPRGKRZSA-N 0 3 209.308 3.059 20 0 BGADHN CCc1ccc(CNC[C@H]2CCCSC2)o1 ZINC000288533707 388788294 /nfs/dbraw/zinc/78/82/94/388788294.db2.gz WAKDAQATAFOVAR-LLVKDONJSA-N 0 3 239.384 3.075 20 0 BGADHN CCc1ccc(CNC[C@@H]2CCCSC2)o1 ZINC000288533709 388788515 /nfs/dbraw/zinc/78/85/15/388788515.db2.gz WAKDAQATAFOVAR-NSHDSACASA-N 0 3 239.384 3.075 20 0 BGADHN COc1ccc2cc(CN[C@H](C)CF)ccc2c1 ZINC000288537767 175224796 /nfs/dbraw/zinc/22/47/96/175224796.db2.gz WILLREBEWLNANY-LLVKDONJSA-N 0 3 247.313 3.296 20 0 BGADHN COc1ccc2cc(CN[C@@H](C)CF)ccc2c1 ZINC000288537771 175225160 /nfs/dbraw/zinc/22/51/60/175225160.db2.gz WILLREBEWLNANY-NSHDSACASA-N 0 3 247.313 3.296 20 0 BGADHN COC[C@@H](NCC1CC1)c1cccc(Cl)c1 ZINC000288555625 388796298 /nfs/dbraw/zinc/79/62/98/388796298.db2.gz LXOHPFKCGOXJQM-CYBMUJFWSA-N 0 3 239.746 3.027 20 0 BGADHN COC[C@H](NCC1CC1)c1cccc(Cl)c1 ZINC000288555626 388796473 /nfs/dbraw/zinc/79/64/73/388796473.db2.gz LXOHPFKCGOXJQM-ZDUSSCGKSA-N 0 3 239.746 3.027 20 0 BGADHN c1cc2c(o1)CCCN([C@@H]1C=CCCC1)C2 ZINC000288690671 187347624 /nfs/dbraw/zinc/34/76/24/187347624.db2.gz DCRDFEZDYHMATN-CYBMUJFWSA-N 0 3 217.312 3.137 20 0 BGADHN c1cc2c(o1)CCCN([C@H]1C=CCCC1)C2 ZINC000288690672 188209968 /nfs/dbraw/zinc/20/99/68/188209968.db2.gz DCRDFEZDYHMATN-ZDUSSCGKSA-N 0 3 217.312 3.137 20 0 BGADHN CCC[C@@H](C)N1CCC2(C1)Oc1ccccc1O2 ZINC000288795860 169366140 /nfs/dbraw/zinc/36/61/40/169366140.db2.gz KGVFFFSKTRVSMJ-GFCCVEGCSA-N 0 3 247.338 3.048 20 0 BGADHN CCC[C@H](C)N1CCC2(C1)Oc1ccccc1O2 ZINC000288795862 386235762 /nfs/dbraw/zinc/23/57/62/386235762.db2.gz KGVFFFSKTRVSMJ-LBPRGKRZSA-N 0 3 247.338 3.048 20 0 BGADHN CCCC[C@@H](C)[C@@H](C)NCc1nccs1 ZINC000288886661 388938792 /nfs/dbraw/zinc/93/87/92/388938792.db2.gz AQBOLKUPILTYRX-GHMZBOCLSA-N 0 3 226.389 3.448 20 0 BGADHN CCCC[C@@H](C)[C@H](C)NCc1nccs1 ZINC000288886668 388938692 /nfs/dbraw/zinc/93/86/92/388938692.db2.gz AQBOLKUPILTYRX-MNOVXSKESA-N 0 3 226.389 3.448 20 0 BGADHN CCCC[C@H](C)[C@H](C)NCc1nccs1 ZINC000288886673 168993106 /nfs/dbraw/zinc/99/31/06/168993106.db2.gz AQBOLKUPILTYRX-QWRGUYRKSA-N 0 3 226.389 3.448 20 0 BGADHN CCCC[C@H](C)[C@@H](C)NCc1nccs1 ZINC000288886679 388939481 /nfs/dbraw/zinc/93/94/81/388939481.db2.gz AQBOLKUPILTYRX-WDEREUQCSA-N 0 3 226.389 3.448 20 0 BGADHN FCCCCCN1CCCc2occc2C1 ZINC000288949889 386243362 /nfs/dbraw/zinc/24/33/62/386243362.db2.gz XJIQHUMTRPDBKJ-UHFFFAOYSA-N 0 3 225.307 3.168 20 0 BGADHN CC(C)SCCN1CCCc2occc2C1 ZINC000288961022 167327112 /nfs/dbraw/zinc/32/71/12/167327112.db2.gz YECZFUHWQHYSQU-UHFFFAOYSA-N 0 3 239.384 3.169 20 0 BGADHN CSC1(CN2CCc3sccc3C2)CC1 ZINC000288966195 386246540 /nfs/dbraw/zinc/24/65/40/386246540.db2.gz BISKFETZUXTBST-UHFFFAOYSA-N 0 3 239.409 3.002 20 0 BGADHN CSC1(CN(C)Cc2ccccc2F)CC1 ZINC000288977840 386246773 /nfs/dbraw/zinc/24/67/73/386246773.db2.gz CEINZHUSLCATKS-UHFFFAOYSA-N 0 3 239.359 3.153 20 0 BGADHN CN(Cc1ccc2occc2c1)C1CC1 ZINC000288981972 386249731 /nfs/dbraw/zinc/24/97/31/386249731.db2.gz CMGWOBMMJGRASU-UHFFFAOYSA-N 0 3 201.269 3.027 20 0 BGADHN CCCN1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000289017178 169200183 /nfs/dbraw/zinc/20/01/83/169200183.db2.gz ADILQIVTMSGQNR-AWEZNQCLSA-N 0 3 243.354 3.418 20 0 BGADHN CCCN1CCC[C@H]1c1nc2cc(C)ccc2[nH]1 ZINC000289017178 169200182 /nfs/dbraw/zinc/20/01/82/169200182.db2.gz ADILQIVTMSGQNR-AWEZNQCLSA-N 0 3 243.354 3.418 20 0 BGADHN CCCN1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000289017183 169197842 /nfs/dbraw/zinc/19/78/42/169197842.db2.gz ADILQIVTMSGQNR-CQSZACIVSA-N 0 3 243.354 3.418 20 0 BGADHN CCCN1CCC[C@@H]1c1nc2cc(C)ccc2[nH]1 ZINC000289017183 169197841 /nfs/dbraw/zinc/19/78/41/169197841.db2.gz ADILQIVTMSGQNR-CQSZACIVSA-N 0 3 243.354 3.418 20 0 BGADHN CSC1(CN(C)[C@@H](C)c2ccco2)CC1 ZINC000289027940 398085021 /nfs/dbraw/zinc/08/50/21/398085021.db2.gz GSXWBOIXSNCTJC-JTQLQIEISA-N 0 3 225.357 3.168 20 0 BGADHN CSC1(CN(C)[C@H](C)c2ccco2)CC1 ZINC000289027944 398085102 /nfs/dbraw/zinc/08/51/02/398085102.db2.gz GSXWBOIXSNCTJC-SNVBAGLBSA-N 0 3 225.357 3.168 20 0 BGADHN CN(Cc1ccc2occc2c1)[C@@H]1CCSC1 ZINC000289064638 386257764 /nfs/dbraw/zinc/25/77/64/386257764.db2.gz JIRDXPIRVZFKIE-CYBMUJFWSA-N 0 3 247.363 3.370 20 0 BGADHN CN(Cc1ccc2occc2c1)[C@H]1CCSC1 ZINC000289064643 386257058 /nfs/dbraw/zinc/25/70/58/386257058.db2.gz JIRDXPIRVZFKIE-ZDUSSCGKSA-N 0 3 247.363 3.370 20 0 BGADHN Cc1csc(CNC[C@@H](C)CC(C)C)n1 ZINC000289077345 388990463 /nfs/dbraw/zinc/99/04/63/388990463.db2.gz CXYPSVONQCUCRY-JTQLQIEISA-N 0 3 226.389 3.223 20 0 BGADHN Cc1csc(CNC[C@H](C)CC(C)C)n1 ZINC000289077346 388990569 /nfs/dbraw/zinc/99/05/69/388990569.db2.gz CXYPSVONQCUCRY-SNVBAGLBSA-N 0 3 226.389 3.223 20 0 BGADHN COC1CCN(Cc2ccc3occc3c2)CC1 ZINC000289086223 174031023 /nfs/dbraw/zinc/03/10/23/174031023.db2.gz KXOBDONDZIPWRB-UHFFFAOYSA-N 0 3 245.322 3.044 20 0 BGADHN CN(Cc1ccc2occc2c1)C[C@@H]1CCCO1 ZINC000289108149 386262417 /nfs/dbraw/zinc/26/24/17/386262417.db2.gz MPCIFPNKZJDCGF-AWEZNQCLSA-N 0 3 245.322 3.044 20 0 BGADHN CN(Cc1ccc2occc2c1)C[C@H]1CCCO1 ZINC000289108151 386262760 /nfs/dbraw/zinc/26/27/60/386262760.db2.gz MPCIFPNKZJDCGF-CQSZACIVSA-N 0 3 245.322 3.044 20 0 BGADHN c1coc(C2=CCCN(C[C@@H]3CCC=CO3)C2)c1 ZINC000289116417 188387992 /nfs/dbraw/zinc/38/79/92/188387992.db2.gz DFSLKKAVXRRMAT-AWEZNQCLSA-N 0 3 245.322 3.061 20 0 BGADHN c1coc(C2=CCCN(C[C@H]3CCC=CO3)C2)c1 ZINC000289116420 386262486 /nfs/dbraw/zinc/26/24/86/386262486.db2.gz DFSLKKAVXRRMAT-CQSZACIVSA-N 0 3 245.322 3.061 20 0 BGADHN CN(C/C=C/c1ccc(F)c(F)c1)C1CC1 ZINC000289141741 386265233 /nfs/dbraw/zinc/26/52/33/386265233.db2.gz PKTCYZRNVUVZMF-NSCUHMNNSA-N 0 3 223.266 3.072 20 0 BGADHN CSC1(CN(C)Cc2cccc(F)c2)CC1 ZINC000289149067 386266084 /nfs/dbraw/zinc/26/60/84/386266084.db2.gz QAYVIFSRLSYXHJ-UHFFFAOYSA-N 0 3 239.359 3.153 20 0 BGADHN CO[C@H]1CCCN(Cc2ccc3occc3c2)C1 ZINC000289169890 386269475 /nfs/dbraw/zinc/26/94/75/386269475.db2.gz RSJALYZEDNYVSJ-AWEZNQCLSA-N 0 3 245.322 3.044 20 0 BGADHN CO[C@@H]1CCCN(Cc2ccc3occc3c2)C1 ZINC000289169892 386269314 /nfs/dbraw/zinc/26/93/14/386269314.db2.gz RSJALYZEDNYVSJ-CQSZACIVSA-N 0 3 245.322 3.044 20 0 BGADHN CC(C)C[C@H](C)CNCc1nccn1C(F)F ZINC000289177573 188388592 /nfs/dbraw/zinc/38/85/92/188388592.db2.gz FTHPADOMRMCBQJ-JTQLQIEISA-N 0 3 245.317 3.050 20 0 BGADHN CC(C)C[C@@H](C)CNCc1nccn1C(F)F ZINC000289177574 187346905 /nfs/dbraw/zinc/34/69/05/187346905.db2.gz FTHPADOMRMCBQJ-SNVBAGLBSA-N 0 3 245.317 3.050 20 0 BGADHN CSC1(CN(Cc2ccco2)C(C)C)CC1 ZINC000289191697 386273256 /nfs/dbraw/zinc/27/32/56/386273256.db2.gz UJAJHVFCCCYELO-UHFFFAOYSA-N 0 3 239.384 3.386 20 0 BGADHN Cc1ccncc1CCCN(C)Cc1ccco1 ZINC000289199369 386272549 /nfs/dbraw/zinc/27/25/49/386272549.db2.gz VGIHYFUUBCNJGE-UHFFFAOYSA-N 0 3 244.338 3.048 20 0 BGADHN CCN(CCC(=O)C(C)C)Cc1cccs1 ZINC000289209866 386270858 /nfs/dbraw/zinc/27/08/58/386270858.db2.gz KKEARQPXPAUORK-UHFFFAOYSA-N 0 3 239.384 3.185 20 0 BGADHN CSC1(CN(C)Cc2cccs2)CC1 ZINC000289224169 386274473 /nfs/dbraw/zinc/27/44/73/386274473.db2.gz XXJPFTYCHFGKDM-UHFFFAOYSA-N 0 3 227.398 3.076 20 0 BGADHN Cc1ccc(C2CC(N[C@H](C)CF)C2)cc1 ZINC000289247365 384934752 /nfs/dbraw/zinc/93/47/52/384934752.db2.gz AUOVDNUWJBDONJ-LMWSTFAQSA-N 0 3 221.319 3.189 20 0 BGADHN Cc1ccc(C2CC(N[C@@H](C)CF)C2)cc1 ZINC000289247367 384935013 /nfs/dbraw/zinc/93/50/13/384935013.db2.gz AUOVDNUWJBDONJ-XGNXJENSSA-N 0 3 221.319 3.189 20 0 BGADHN COc1cncc(CN(C)C2CCCCCC2)c1 ZINC000289254931 175383856 /nfs/dbraw/zinc/38/38/56/175383856.db2.gz NWMWMHZJFKFASD-UHFFFAOYSA-N 0 3 248.370 3.245 20 0 BGADHN C[C@@H]1CN(Cc2ccc3occc3c2)CCCO1 ZINC000289295835 176305085 /nfs/dbraw/zinc/30/50/85/176305085.db2.gz HQJAZYROWVJJMY-GFCCVEGCSA-N 0 3 245.322 3.044 20 0 BGADHN C[C@H]1CN(Cc2ccc3occc3c2)CCCO1 ZINC000289295838 177262956 /nfs/dbraw/zinc/26/29/56/177262956.db2.gz HQJAZYROWVJJMY-LBPRGKRZSA-N 0 3 245.322 3.044 20 0 BGADHN Cc1ccc(CN2CCC=C(c3ccco3)C2)o1 ZINC000289321956 386283819 /nfs/dbraw/zinc/28/38/19/386283819.db2.gz FVJBJHJOHJPKQQ-UHFFFAOYSA-N 0 3 243.306 3.470 20 0 BGADHN CCC(CC)N(CC)Cc1cnccc1OC ZINC000289352351 168371517 /nfs/dbraw/zinc/37/15/17/168371517.db2.gz GGYKARVAUTYBRN-UHFFFAOYSA-N 0 3 236.359 3.101 20 0 BGADHN CCC(=O)CCCN(Cc1ccccc1)C1CC1 ZINC000289355390 168198567 /nfs/dbraw/zinc/19/85/67/168198567.db2.gz NLBPQLQUJRLLPD-UHFFFAOYSA-N 0 3 245.366 3.410 20 0 BGADHN COCc1ccc(CN2CCC[C@@H](C3CC3)C2)o1 ZINC000289375577 386292529 /nfs/dbraw/zinc/29/25/29/386292529.db2.gz BGZRPKQLHGKREI-CYBMUJFWSA-N 0 3 249.354 3.048 20 0 BGADHN COCc1ccc(CN2CCC[C@H](C3CC3)C2)o1 ZINC000289375581 386292775 /nfs/dbraw/zinc/29/27/75/386292775.db2.gz BGZRPKQLHGKREI-ZDUSSCGKSA-N 0 3 249.354 3.048 20 0 BGADHN CSC1(CN2CCC=C(c3ccco3)C2)CC1 ZINC000289397416 386296472 /nfs/dbraw/zinc/29/64/72/386296472.db2.gz OEBSSQCSSSAZAA-UHFFFAOYSA-N 0 3 249.379 3.264 20 0 BGADHN CCC(CC)N(CC)Cc1ncc(C)s1 ZINC000289407524 168373120 /nfs/dbraw/zinc/37/31/20/168373120.db2.gz LNGSRLXYCBZIPM-UHFFFAOYSA-N 0 3 226.389 3.462 20 0 BGADHN CCCC[C@@H](C)N(C)Cc1cc(OC)ccn1 ZINC000289410476 352184585 /nfs/dbraw/zinc/18/45/85/352184585.db2.gz AFUXKVBOTZLUEJ-GFCCVEGCSA-N 0 3 236.359 3.101 20 0 BGADHN CCCC[C@H](C)N(C)Cc1cc(OC)ccn1 ZINC000289410479 352184300 /nfs/dbraw/zinc/18/43/00/352184300.db2.gz AFUXKVBOTZLUEJ-LBPRGKRZSA-N 0 3 236.359 3.101 20 0 BGADHN CCCCN1CCC(F)(c2ccccn2)CC1 ZINC000289427638 386304424 /nfs/dbraw/zinc/30/44/24/386304424.db2.gz VHIGTIKDWVFGHW-UHFFFAOYSA-N 0 3 236.334 3.142 20 0 BGADHN Cc1ncsc1CN(C(C)C)C(C)C ZINC000289439320 180312142 /nfs/dbraw/zinc/31/21/42/180312142.db2.gz YREVYWWWNGZCQG-UHFFFAOYSA-N 0 3 212.362 3.070 20 0 BGADHN Cc1cn[nH]c1CNC(C)(C)c1cccc(C)c1 ZINC000289441474 179028172 /nfs/dbraw/zinc/02/81/72/179028172.db2.gz FXXACVUMEGOKRN-UHFFFAOYSA-N 0 3 243.354 3.051 20 0 BGADHN Cc1cn[nH]c1CN[C@H](C)c1cc(C)cc(C)c1 ZINC000289443010 386306517 /nfs/dbraw/zinc/30/65/17/386306517.db2.gz GEGWVDSIWIPPGC-CYBMUJFWSA-N 0 3 243.354 3.186 20 0 BGADHN Cc1cn[nH]c1CN[C@@H](C)c1cc(C)cc(C)c1 ZINC000289443012 386306984 /nfs/dbraw/zinc/30/69/84/386306984.db2.gz GEGWVDSIWIPPGC-ZDUSSCGKSA-N 0 3 243.354 3.186 20 0 BGADHN Cc1cn[nH]c1CN[C@H](C)c1cccc(C)c1C ZINC000289445495 386307068 /nfs/dbraw/zinc/30/70/68/386307068.db2.gz GKPPNOGCWRRUPT-CYBMUJFWSA-N 0 3 243.354 3.186 20 0 BGADHN Cc1cn[nH]c1CN[C@@H](C)c1cccc(C)c1C ZINC000289445499 386307892 /nfs/dbraw/zinc/30/78/92/386307892.db2.gz GKPPNOGCWRRUPT-ZDUSSCGKSA-N 0 3 243.354 3.186 20 0 BGADHN CCCCCN1CCC=C(c2cccnc2)C1 ZINC000289474825 386312638 /nfs/dbraw/zinc/31/26/38/386312638.db2.gz ZHYULKAUNHVMSP-UHFFFAOYSA-N 0 3 230.355 3.361 20 0 BGADHN C[C@@H]1CCCC[C@H]1NCc1csc(Cl)n1 ZINC000289494288 176088761 /nfs/dbraw/zinc/08/87/61/176088761.db2.gz CUSZWTOKOMUWPP-PSASIEDQSA-N 0 3 244.791 3.465 20 0 BGADHN C[C@@H]1CCCC[C@@H]1NCc1csc(Cl)n1 ZINC000289494291 176081965 /nfs/dbraw/zinc/08/19/65/176081965.db2.gz CUSZWTOKOMUWPP-SCZZXKLOSA-N 0 3 244.791 3.465 20 0 BGADHN C[C@H]1CCCC[C@H]1NCc1csc(Cl)n1 ZINC000289494294 177089162 /nfs/dbraw/zinc/08/91/62/177089162.db2.gz CUSZWTOKOMUWPP-WCBMZHEXSA-N 0 3 244.791 3.465 20 0 BGADHN C[C@H]1CCCC[C@@H]1NCc1csc(Cl)n1 ZINC000289494295 177083692 /nfs/dbraw/zinc/08/36/92/177083692.db2.gz CUSZWTOKOMUWPP-WPRPVWTQSA-N 0 3 244.791 3.465 20 0 BGADHN CCC(CC)N(CC)Cc1nccs1 ZINC000289502972 168372719 /nfs/dbraw/zinc/37/27/19/168372719.db2.gz UHSOHEISNMUNJJ-UHFFFAOYSA-N 0 3 212.362 3.154 20 0 BGADHN CCC(=O)CCCN1C[C@H](C)[C@H]1c1ccccc1 ZINC000289525258 168199724 /nfs/dbraw/zinc/19/97/24/168199724.db2.gz GHNXYIDHTUJXII-BBRMVZONSA-N 0 3 245.366 3.439 20 0 BGADHN CCC(=O)CCCN1C[C@@H](C)[C@H]1c1ccccc1 ZINC000289525261 168199877 /nfs/dbraw/zinc/19/98/77/168199877.db2.gz GHNXYIDHTUJXII-CJNGLKHVSA-N 0 3 245.366 3.439 20 0 BGADHN CCC(=O)CCCN1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000289525263 168201202 /nfs/dbraw/zinc/20/12/02/168201202.db2.gz GHNXYIDHTUJXII-CZUORRHYSA-N 0 3 245.366 3.439 20 0 BGADHN CCC(=O)CCCN1C[C@H](C)[C@@H]1c1ccccc1 ZINC000289525267 168201021 /nfs/dbraw/zinc/20/10/21/168201021.db2.gz GHNXYIDHTUJXII-XJKSGUPXSA-N 0 3 245.366 3.439 20 0 BGADHN Cc1ccoc1CN1CCC=C(c2ccco2)C1 ZINC000289537259 386322581 /nfs/dbraw/zinc/32/25/81/386322581.db2.gz QFRGWQDQEPTKAA-UHFFFAOYSA-N 0 3 243.306 3.470 20 0 BGADHN CCC(CC)N(CC)Cc1csc(C)n1 ZINC000289546642 168372110 /nfs/dbraw/zinc/37/21/10/168372110.db2.gz WZRINNYVSOFJHS-UHFFFAOYSA-N 0 3 226.389 3.462 20 0 BGADHN CO[C@H]1C[C@@H](N(C)Cc2cc(Cl)cs2)C1 ZINC000289561991 386329956 /nfs/dbraw/zinc/32/99/56/386329956.db2.gz RUPQWDHWBHWNMK-AOOOYVTPSA-N 0 3 245.775 3.011 20 0 BGADHN CC[C@@H](CN[C@H](C)c1ccc(Cl)s1)OC ZINC000289574355 384753510 /nfs/dbraw/zinc/75/35/10/384753510.db2.gz ABSTVAWYFFAZOE-BDAKNGLRSA-N 0 3 247.791 3.477 20 0 BGADHN CC[C@H](CN[C@@H](C)c1ccc(Cl)s1)OC ZINC000289574360 384753795 /nfs/dbraw/zinc/75/37/95/384753795.db2.gz ABSTVAWYFFAZOE-DTWKUNHWSA-N 0 3 247.791 3.477 20 0 BGADHN CC[C@@H](CN[C@@H](C)c1ccc(Cl)s1)OC ZINC000289574363 384753439 /nfs/dbraw/zinc/75/34/39/384753439.db2.gz ABSTVAWYFFAZOE-IUCAKERBSA-N 0 3 247.791 3.477 20 0 BGADHN CC[C@H](CN[C@H](C)c1ccc(Cl)s1)OC ZINC000289574369 384753667 /nfs/dbraw/zinc/75/36/67/384753667.db2.gz ABSTVAWYFFAZOE-RKDXNWHRSA-N 0 3 247.791 3.477 20 0 BGADHN CC[C@@H](c1cccc(OC)c1)N(C)CCC(C)=O ZINC000289583580 352191862 /nfs/dbraw/zinc/19/18/62/352191862.db2.gz ZDKQURVBTMOBTN-HNNXBMFYSA-N 0 3 249.354 3.057 20 0 BGADHN CC[C@H](c1cccc(OC)c1)N(C)CCC(C)=O ZINC000289583587 386328993 /nfs/dbraw/zinc/32/89/93/386328993.db2.gz ZDKQURVBTMOBTN-OAHLLOKOSA-N 0 3 249.354 3.057 20 0 BGADHN CO[C@@H](C)[C@@H](C)N[C@H](C)c1csc(Cl)c1 ZINC000289593529 384790345 /nfs/dbraw/zinc/79/03/45/384790345.db2.gz BDHNMHNOEAVRRP-HLTSFMKQSA-N 0 3 247.791 3.476 20 0 BGADHN CO[C@H](C)[C@@H](C)N[C@@H](C)c1csc(Cl)c1 ZINC000289593532 384789888 /nfs/dbraw/zinc/78/98/88/384789888.db2.gz BDHNMHNOEAVRRP-HRDYMLBCSA-N 0 3 247.791 3.476 20 0 BGADHN CO[C@H](C)[C@@H](C)N[C@H](C)c1csc(Cl)c1 ZINC000289593534 384791015 /nfs/dbraw/zinc/79/10/15/384791015.db2.gz BDHNMHNOEAVRRP-IWSPIJDZSA-N 0 3 247.791 3.476 20 0 BGADHN CO[C@@H](C)[C@@H](C)N[C@@H](C)c1csc(Cl)c1 ZINC000289593536 384790998 /nfs/dbraw/zinc/79/09/98/384790998.db2.gz BDHNMHNOEAVRRP-VGMNWLOBSA-N 0 3 247.791 3.476 20 0 BGADHN CC[C@H](N[C@H](C)[C@@H](C)OC)c1ccccc1F ZINC000289595434 386331352 /nfs/dbraw/zinc/33/13/52/386331352.db2.gz BHNYVDGXECHNEO-GYSYKLTISA-N 0 3 239.334 3.290 20 0 BGADHN CC[C@@H](N[C@H](C)[C@@H](C)OC)c1ccccc1F ZINC000289595436 352191624 /nfs/dbraw/zinc/19/16/24/352191624.db2.gz BHNYVDGXECHNEO-JTNHKYCSSA-N 0 3 239.334 3.290 20 0 BGADHN CC[C@H](N[C@H](C)[C@H](C)OC)c1ccccc1F ZINC000289595437 386332594 /nfs/dbraw/zinc/33/25/94/386332594.db2.gz BHNYVDGXECHNEO-SUNKGSAMSA-N 0 3 239.334 3.290 20 0 BGADHN CC[C@@H](N[C@H](C)[C@H](C)OC)c1ccccc1F ZINC000289595438 352191749 /nfs/dbraw/zinc/19/17/49/352191749.db2.gz BHNYVDGXECHNEO-UHIISALHSA-N 0 3 239.334 3.290 20 0 BGADHN Cc1cn[nH]c1CN[C@@H](C)c1ccccc1Cl ZINC000289595454 386331582 /nfs/dbraw/zinc/33/15/82/386331582.db2.gz ULPUCGGNHGISJJ-JTQLQIEISA-N 0 3 249.745 3.222 20 0 BGADHN Cc1cn[nH]c1CN[C@H](C)c1ccc(F)c(C)c1 ZINC000289615928 178228905 /nfs/dbraw/zinc/22/89/05/178228905.db2.gz VXYZLBGXZJQEDD-LLVKDONJSA-N 0 3 247.317 3.016 20 0 BGADHN c1cc([C@H]2CCCCN2C[C@H]2CC=CCC2)n[nH]1 ZINC000289664933 187347298 /nfs/dbraw/zinc/34/72/98/187347298.db2.gz YTROYSINROXAQN-DZGCQCFKSA-N 0 3 245.370 3.293 20 0 BGADHN c1cc([C@@H]2CCCCN2C[C@@H]2CC=CCC2)n[nH]1 ZINC000289664937 386337734 /nfs/dbraw/zinc/33/77/34/386337734.db2.gz YTROYSINROXAQN-HIFRSBDPSA-N 0 3 245.370 3.293 20 0 BGADHN c1cc([C@H]2CCCCN2C[C@@H]2CC=CCC2)n[nH]1 ZINC000289664939 386338819 /nfs/dbraw/zinc/33/88/19/386338819.db2.gz YTROYSINROXAQN-UKRRQHHQSA-N 0 3 245.370 3.293 20 0 BGADHN c1cc([C@@H]2CCCCN2C[C@H]2CC=CCC2)n[nH]1 ZINC000289664943 187347097 /nfs/dbraw/zinc/34/70/97/187347097.db2.gz YTROYSINROXAQN-ZFWWWQNUSA-N 0 3 245.370 3.293 20 0 BGADHN CCN(Cc1sccc1C)Cc1ccncc1 ZINC000289666582 352194790 /nfs/dbraw/zinc/19/47/90/352194790.db2.gz DDCKEOBABYRLQM-UHFFFAOYSA-N 0 3 246.379 3.474 20 0 BGADHN c1coc(CN2CCC(c3ccncc3)CC2)c1 ZINC000289678589 386341874 /nfs/dbraw/zinc/34/18/74/386341874.db2.gz DXKQWWJOYYSWQH-UHFFFAOYSA-N 0 3 242.322 3.054 20 0 BGADHN C[C@@H](N[C@@H](C)c1c(F)cncc1F)C1CCC1 ZINC000289688444 386340555 /nfs/dbraw/zinc/34/05/55/386340555.db2.gz ODXHBALIJROZLS-BDAKNGLRSA-N 0 3 240.297 3.199 20 0 BGADHN C[C@@H](N[C@@H](C)C1CCC1)c1c(F)cncc1F ZINC000289688448 386341787 /nfs/dbraw/zinc/34/17/87/386341787.db2.gz ODXHBALIJROZLS-DTWKUNHWSA-N 0 3 240.297 3.199 20 0 BGADHN C[C@H](N[C@@H](C)C1CCC1)c1c(F)cncc1F ZINC000289688451 386340590 /nfs/dbraw/zinc/34/05/90/386340590.db2.gz ODXHBALIJROZLS-IUCAKERBSA-N 0 3 240.297 3.199 20 0 BGADHN C[C@@H](N[C@H](C)C1CCC1)c1c(F)cncc1F ZINC000289688455 386343157 /nfs/dbraw/zinc/34/31/57/386343157.db2.gz ODXHBALIJROZLS-RKDXNWHRSA-N 0 3 240.297 3.199 20 0 BGADHN CC[C@H](CNCc1n[nH]cc1C)c1ccccc1 ZINC000289693131 386343194 /nfs/dbraw/zinc/34/31/94/386343194.db2.gz BJGPACAVAHYEJU-CYBMUJFWSA-N 0 3 243.354 3.002 20 0 BGADHN CC[C@@H](CNCc1n[nH]cc1C)c1ccccc1 ZINC000289693136 386344829 /nfs/dbraw/zinc/34/48/29/386344829.db2.gz BJGPACAVAHYEJU-ZDUSSCGKSA-N 0 3 243.354 3.002 20 0 BGADHN CCCC[C@@H](C)N(C)Cc1cnccc1OC ZINC000289719155 352195798 /nfs/dbraw/zinc/19/57/98/352195798.db2.gz CVYOVWWOQFTGJW-GFCCVEGCSA-N 0 3 236.359 3.101 20 0 BGADHN CCCC[C@H](C)N(C)Cc1cnccc1OC ZINC000289719158 352195626 /nfs/dbraw/zinc/19/56/26/352195626.db2.gz CVYOVWWOQFTGJW-LBPRGKRZSA-N 0 3 236.359 3.101 20 0 BGADHN CC(C)C(=O)CCN(C)[C@H](C)c1cccc(O)c1 ZINC000289725535 187347221 /nfs/dbraw/zinc/34/72/21/187347221.db2.gz GJBLUXGCVUMBRZ-GFCCVEGCSA-N 0 3 249.354 3.000 20 0 BGADHN CC(C)C(=O)CCN(C)[C@@H](C)c1cccc(O)c1 ZINC000289725539 188035849 /nfs/dbraw/zinc/03/58/49/188035849.db2.gz GJBLUXGCVUMBRZ-LBPRGKRZSA-N 0 3 249.354 3.000 20 0 BGADHN CCC(CC)N[C@H](C)c1c(F)cncc1F ZINC000289725816 168392674 /nfs/dbraw/zinc/39/26/74/168392674.db2.gz PMPLSXMRPYBLKI-MRVPVSSYSA-N 0 3 228.286 3.199 20 0 BGADHN CCC(CC)N[C@@H](C)c1c(F)cncc1F ZINC000289725820 168391511 /nfs/dbraw/zinc/39/15/11/168391511.db2.gz PMPLSXMRPYBLKI-QMMMGPOBSA-N 0 3 228.286 3.199 20 0 BGADHN C[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000289733293 176306511 /nfs/dbraw/zinc/30/65/11/176306511.db2.gz JDKBNIIAPGYGFD-LLVKDONJSA-N 0 3 225.282 3.164 20 0 BGADHN C[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000289733297 177264416 /nfs/dbraw/zinc/26/44/16/177264416.db2.gz JDKBNIIAPGYGFD-NSHDSACASA-N 0 3 225.282 3.164 20 0 BGADHN CCCC[C@@H](C)N(C)Cc1ncccc1C ZINC000289746807 352196586 /nfs/dbraw/zinc/19/65/86/352196586.db2.gz FDWHOOOSDDFDSQ-CYBMUJFWSA-N 0 3 220.360 3.401 20 0 BGADHN CCCC[C@H](C)N(C)Cc1ncccc1C ZINC000289746811 352196681 /nfs/dbraw/zinc/19/66/81/352196681.db2.gz FDWHOOOSDDFDSQ-ZDUSSCGKSA-N 0 3 220.360 3.401 20 0 BGADHN Cc1cc([C@H](C)NCc2[nH]ncc2C)c(C)s1 ZINC000289766052 178252324 /nfs/dbraw/zinc/25/23/24/178252324.db2.gz GEVCXOKQXMFPAJ-JTQLQIEISA-N 0 3 249.383 3.247 20 0 BGADHN Cc1cc([C@@H](C)NCc2[nH]ncc2C)c(C)s1 ZINC000289766061 178228410 /nfs/dbraw/zinc/22/84/10/178228410.db2.gz GEVCXOKQXMFPAJ-SNVBAGLBSA-N 0 3 249.383 3.247 20 0 BGADHN C[C@H](CNCCF)c1ccc(C(F)(F)F)cc1 ZINC000289775350 386356758 /nfs/dbraw/zinc/35/67/58/386356758.db2.gz RBOREONWXNTKCQ-SECBINFHSA-N 0 3 249.251 3.368 20 0 BGADHN C[C@@H](CNCCF)c1ccc(C(F)(F)F)cc1 ZINC000289775354 386356663 /nfs/dbraw/zinc/35/66/63/386356663.db2.gz RBOREONWXNTKCQ-VIFPVBQESA-N 0 3 249.251 3.368 20 0 BGADHN CC1(C)CN(Cc2ccccc2)[C@H]1[C@H]1CCCO1 ZINC000289798210 352198065 /nfs/dbraw/zinc/19/80/65/352198065.db2.gz NPTPHNRPVPGLIM-CABCVRRESA-N 0 3 245.366 3.076 20 0 BGADHN CC1(C)CN(Cc2ccccc2)[C@H]1[C@@H]1CCCO1 ZINC000289798212 352197715 /nfs/dbraw/zinc/19/77/15/352197715.db2.gz NPTPHNRPVPGLIM-GJZGRUSLSA-N 0 3 245.366 3.076 20 0 BGADHN CC1(C)CN(Cc2ccccc2)[C@@H]1[C@H]1CCCO1 ZINC000289798215 352197970 /nfs/dbraw/zinc/19/79/70/352197970.db2.gz NPTPHNRPVPGLIM-HUUCEWRRSA-N 0 3 245.366 3.076 20 0 BGADHN CC1(C)CN(Cc2ccccc2)[C@@H]1[C@@H]1CCCO1 ZINC000289798216 352197799 /nfs/dbraw/zinc/19/77/99/352197799.db2.gz NPTPHNRPVPGLIM-LSDHHAIUSA-N 0 3 245.366 3.076 20 0 BGADHN C[C@@H]1OCC[C@@H]1NCc1ccc2sccc2c1 ZINC000289801074 386355852 /nfs/dbraw/zinc/35/58/52/386355852.db2.gz KYOKIEJMIUBGKE-GWCFXTLKSA-N 0 3 247.363 3.168 20 0 BGADHN C[C@@H]1OCC[C@H]1NCc1ccc2sccc2c1 ZINC000289801079 386354993 /nfs/dbraw/zinc/35/49/93/386354993.db2.gz KYOKIEJMIUBGKE-GXFFZTMASA-N 0 3 247.363 3.168 20 0 BGADHN C[C@H]1OCC[C@@H]1NCc1ccc2sccc2c1 ZINC000289801081 386357059 /nfs/dbraw/zinc/35/70/59/386357059.db2.gz KYOKIEJMIUBGKE-MFKMUULPSA-N 0 3 247.363 3.168 20 0 BGADHN C[C@H]1OCC[C@H]1NCc1ccc2sccc2c1 ZINC000289801085 386355690 /nfs/dbraw/zinc/35/56/90/386355690.db2.gz KYOKIEJMIUBGKE-ZWNOBZJWSA-N 0 3 247.363 3.168 20 0 BGADHN CCCC[C@@H](C)N(C)Cc1ccc(F)cn1 ZINC000289810295 352199110 /nfs/dbraw/zinc/19/91/10/352199110.db2.gz IUIYQGHXUVOGCW-LLVKDONJSA-N 0 3 224.323 3.231 20 0 BGADHN CCCC[C@H](C)N(C)Cc1ccc(F)cn1 ZINC000289810298 352199168 /nfs/dbraw/zinc/19/91/68/352199168.db2.gz IUIYQGHXUVOGCW-NSHDSACASA-N 0 3 224.323 3.231 20 0 BGADHN COc1cncc(CN(C)[C@@H]2CCC[C@H](C)C2)c1 ZINC000289834821 175384823 /nfs/dbraw/zinc/38/48/23/175384823.db2.gz AQQVAIUUVVJAAU-GXTWGEPZSA-N 0 3 248.370 3.101 20 0 BGADHN COc1cncc(CN(C)[C@H]2CCC[C@H](C)C2)c1 ZINC000289834823 175384718 /nfs/dbraw/zinc/38/47/18/175384718.db2.gz AQQVAIUUVVJAAU-JSGCOSHPSA-N 0 3 248.370 3.101 20 0 BGADHN COc1cncc(CN(C)[C@H]2CCC[C@@H](C)C2)c1 ZINC000289834825 175384767 /nfs/dbraw/zinc/38/47/67/175384767.db2.gz AQQVAIUUVVJAAU-OCCSQVGLSA-N 0 3 248.370 3.101 20 0 BGADHN COc1cncc(CN(C)[C@@H]2CCC[C@@H](C)C2)c1 ZINC000289834827 175384445 /nfs/dbraw/zinc/38/44/45/175384445.db2.gz AQQVAIUUVVJAAU-TZMCWYRMSA-N 0 3 248.370 3.101 20 0 BGADHN CCCC[C@@H](C)N(C)Cc1cnccc1C ZINC000289843683 352200151 /nfs/dbraw/zinc/20/01/51/352200151.db2.gz KINQYQSOFHFFKU-CYBMUJFWSA-N 0 3 220.360 3.401 20 0 BGADHN CCCC[C@H](C)N(C)Cc1cnccc1C ZINC000289843685 352199949 /nfs/dbraw/zinc/19/99/49/352199949.db2.gz KINQYQSOFHFFKU-ZDUSSCGKSA-N 0 3 220.360 3.401 20 0 BGADHN CCCC[C@@H](C)N(C)Cc1cncc(F)c1 ZINC000289848188 352199729 /nfs/dbraw/zinc/19/97/29/352199729.db2.gz KOYBOGRLOJZPAJ-LLVKDONJSA-N 0 3 224.323 3.231 20 0 BGADHN CCCC[C@H](C)N(C)Cc1cncc(F)c1 ZINC000289848192 352200137 /nfs/dbraw/zinc/20/01/37/352200137.db2.gz KOYBOGRLOJZPAJ-NSHDSACASA-N 0 3 224.323 3.231 20 0 BGADHN Cc1cn[nH]c1CN[C@@H](C)c1ccc(Cl)cc1 ZINC000289879028 386367757 /nfs/dbraw/zinc/36/77/57/386367757.db2.gz MFKXOKANIGEOLI-JTQLQIEISA-N 0 3 249.745 3.222 20 0 BGADHN Cc1cn[nH]c1CN[C@H](C)c1ccc(Cl)cc1 ZINC000289879032 386367454 /nfs/dbraw/zinc/36/74/54/386367454.db2.gz MFKXOKANIGEOLI-SNVBAGLBSA-N 0 3 249.745 3.222 20 0 BGADHN c1cc2cc(CN[C@@H]3CCCOC3)ccc2s1 ZINC000289906205 538946211 /nfs/dbraw/zinc/94/62/11/538946211.db2.gz UDTJHHGIMFNDLF-CYBMUJFWSA-N 0 3 247.363 3.170 20 0 BGADHN c1cc2cc(CN[C@H]3CCCOC3)ccc2s1 ZINC000289906210 538945961 /nfs/dbraw/zinc/94/59/61/538945961.db2.gz UDTJHHGIMFNDLF-ZDUSSCGKSA-N 0 3 247.363 3.170 20 0 BGADHN CC(C)(C)c1ncc(CN[C@@H]2CCC2(C)C)cn1 ZINC000289914895 385722853 /nfs/dbraw/zinc/72/28/53/385722853.db2.gz VFNSPLWCZIOQGW-GFCCVEGCSA-N 0 3 247.386 3.052 20 0 BGADHN CC(C)(C)c1ncc(CN[C@H]2CCC2(C)C)cn1 ZINC000289914896 188223533 /nfs/dbraw/zinc/22/35/33/188223533.db2.gz VFNSPLWCZIOQGW-LBPRGKRZSA-N 0 3 247.386 3.052 20 0 BGADHN CCCC[C@@H](C)N(C)Cc1cncc(OC)c1 ZINC000289917802 352202922 /nfs/dbraw/zinc/20/29/22/352202922.db2.gz OILSZNUDHFWRLE-GFCCVEGCSA-N 0 3 236.359 3.101 20 0 BGADHN CCCC[C@H](C)N(C)Cc1cncc(OC)c1 ZINC000289917804 352202325 /nfs/dbraw/zinc/20/23/25/352202325.db2.gz OILSZNUDHFWRLE-LBPRGKRZSA-N 0 3 236.359 3.101 20 0 BGADHN C[C@@H]1CN(Cc2cccs2)CCC1(F)F ZINC000289926216 176308031 /nfs/dbraw/zinc/30/80/31/176308031.db2.gz URAYHUIPTAMHEX-SECBINFHSA-N 0 3 231.311 3.225 20 0 BGADHN C[C@H]1CN(Cc2cccs2)CCC1(F)F ZINC000289926220 177268198 /nfs/dbraw/zinc/26/81/98/177268198.db2.gz URAYHUIPTAMHEX-VIFPVBQESA-N 0 3 231.311 3.225 20 0 BGADHN COc1cncc(CN[C@H](C)c2cccs2)c1 ZINC000289938874 175385662 /nfs/dbraw/zinc/38/56/62/175385662.db2.gz OQICODANGRBHTN-SNVBAGLBSA-N 0 3 248.351 3.003 20 0 BGADHN COCC(C)(C)CCCNCc1occc1C ZINC000289939680 174068475 /nfs/dbraw/zinc/06/84/75/174068475.db2.gz BBPZJPGNQLOFBA-UHFFFAOYSA-N 0 3 239.359 3.130 20 0 BGADHN C[C@@H]1CN(CCc2ccccc2)CCC1(F)F ZINC000289960150 176294852 /nfs/dbraw/zinc/29/48/52/176294852.db2.gz WNOWQAHVJSNYEP-GFCCVEGCSA-N 0 3 239.309 3.206 20 0 BGADHN C[C@H]1CN(CCc2ccccc2)CCC1(F)F ZINC000289960157 177254765 /nfs/dbraw/zinc/25/47/65/177254765.db2.gz WNOWQAHVJSNYEP-LBPRGKRZSA-N 0 3 239.309 3.206 20 0 BGADHN CSC1(CN2CCc3ccsc3C2)CC1 ZINC000289961402 386377778 /nfs/dbraw/zinc/37/77/78/386377778.db2.gz IOWQPMKTCWVNSF-UHFFFAOYSA-N 0 3 239.409 3.002 20 0 BGADHN C[C@H](NC1CC1)c1nccc2ccccc21 ZINC000289971916 385802335 /nfs/dbraw/zinc/80/23/35/385802335.db2.gz XLWZSWURXMJKPR-JTQLQIEISA-N 0 3 212.296 3.048 20 0 BGADHN C[C@@H](NC1CC1)c1nccc2ccccc21 ZINC000289971920 385803283 /nfs/dbraw/zinc/80/32/83/385803283.db2.gz XLWZSWURXMJKPR-SNVBAGLBSA-N 0 3 212.296 3.048 20 0 BGADHN CCCC[C@@H](C)N(C)Cc1ccc(OC)cn1 ZINC000289973332 352205109 /nfs/dbraw/zinc/20/51/09/352205109.db2.gz RGZLGBVLRLLOJB-GFCCVEGCSA-N 0 3 236.359 3.101 20 0 BGADHN CCCC[C@H](C)N(C)Cc1ccc(OC)cn1 ZINC000289973335 352205349 /nfs/dbraw/zinc/20/53/49/352205349.db2.gz RGZLGBVLRLLOJB-LBPRGKRZSA-N 0 3 236.359 3.101 20 0 BGADHN COC[C@H](C)NCc1ccc2sccc2c1 ZINC000289984051 387106720 /nfs/dbraw/zinc/10/67/20/387106720.db2.gz XCEQDINELIXBAK-JTQLQIEISA-N 0 3 235.352 3.026 20 0 BGADHN COC[C@@H](C)NCc1ccc2sccc2c1 ZINC000289984055 387107795 /nfs/dbraw/zinc/10/77/95/387107795.db2.gz XCEQDINELIXBAK-SNVBAGLBSA-N 0 3 235.352 3.026 20 0 BGADHN CC[C@@H](C)[C@@H](C)NCc1csc(Cl)n1 ZINC000289991357 386010110 /nfs/dbraw/zinc/01/01/10/386010110.db2.gz KKWRARYINGCDES-HTQZYQBOSA-N 0 3 232.780 3.321 20 0 BGADHN CC[C@H](C)[C@@H](C)NCc1csc(Cl)n1 ZINC000289991360 171365531 /nfs/dbraw/zinc/36/55/31/171365531.db2.gz KKWRARYINGCDES-JGVFFNPUSA-N 0 3 232.780 3.321 20 0 BGADHN CC[C@@H](C)[C@H](C)NCc1csc(Cl)n1 ZINC000289991361 386011162 /nfs/dbraw/zinc/01/11/62/386011162.db2.gz KKWRARYINGCDES-SFYZADRCSA-N 0 3 232.780 3.321 20 0 BGADHN CC[C@H](C)[C@H](C)NCc1csc(Cl)n1 ZINC000289991364 171389444 /nfs/dbraw/zinc/38/94/44/171389444.db2.gz KKWRARYINGCDES-YUMQZZPRSA-N 0 3 232.780 3.321 20 0 BGADHN Cc1cn[nH]c1CNCc1ccc(C(C)C)cc1 ZINC000289994261 386382455 /nfs/dbraw/zinc/38/24/55/386382455.db2.gz SOJVBRPYWWTCNF-UHFFFAOYSA-N 0 3 243.354 3.131 20 0 BGADHN C[C@H](CF)NC1CC(c2cccc(F)c2)C1 ZINC000290006907 387142094 /nfs/dbraw/zinc/14/20/94/387142094.db2.gz DJFZEGFZKPTXNW-CBZQXFMTSA-N 0 3 225.282 3.019 20 0 BGADHN C[C@@H](CF)NC1CC(c2cccc(F)c2)C1 ZINC000290006914 387142184 /nfs/dbraw/zinc/14/21/84/387142184.db2.gz DJFZEGFZKPTXNW-FJJSSXBZSA-N 0 3 225.282 3.019 20 0 BGADHN Cc1cn[nH]c1CN[C@H](C)c1ccccc1Cl ZINC000290010886 386383615 /nfs/dbraw/zinc/38/36/15/386383615.db2.gz ULPUCGGNHGISJJ-SNVBAGLBSA-N 0 3 249.745 3.222 20 0 BGADHN CCCC[C@@H](C)N(C)Cc1cncc(C)c1 ZINC000290017085 352207183 /nfs/dbraw/zinc/20/71/83/352207183.db2.gz UWRKYJBREPTTOU-CYBMUJFWSA-N 0 3 220.360 3.401 20 0 BGADHN CCCC[C@H](C)N(C)Cc1cncc(C)c1 ZINC000290017087 352207001 /nfs/dbraw/zinc/20/70/01/352207001.db2.gz UWRKYJBREPTTOU-ZDUSSCGKSA-N 0 3 220.360 3.401 20 0 BGADHN CC(C)SCCNCc1ccc(F)cc1 ZINC000290043425 167329677 /nfs/dbraw/zinc/32/96/77/167329677.db2.gz GAHMYPLNQUWOLX-UHFFFAOYSA-N 0 3 227.348 3.057 20 0 BGADHN CC(C)SCCNCc1cc(F)ccc1F ZINC000290062105 167329771 /nfs/dbraw/zinc/32/97/71/167329771.db2.gz HJRNDWVFAAVUAJ-UHFFFAOYSA-N 0 3 245.338 3.196 20 0 BGADHN C[C@H](CF)NCCCc1c(F)cccc1Cl ZINC000290062471 387261102 /nfs/dbraw/zinc/26/11/02/387261102.db2.gz FHFGLPJJAGESPA-SECBINFHSA-N 0 3 247.716 3.359 20 0 BGADHN C[C@@H](CF)NCCCc1c(F)cccc1Cl ZINC000290062479 387309196 /nfs/dbraw/zinc/30/91/96/387309196.db2.gz FHFGLPJJAGESPA-VIFPVBQESA-N 0 3 247.716 3.359 20 0 BGADHN CC(C)(C)[NH2+]Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000290071534 386390308 /nfs/dbraw/zinc/39/03/08/386390308.db2.gz YJLGNVRHCNLJGE-UHFFFAOYSA-N 0 3 247.260 3.299 20 0 BGADHN CO[C@@H](C)[C@@H](C)N[C@H](C)c1cc(F)cc(F)c1 ZINC000290080166 386390210 /nfs/dbraw/zinc/39/02/10/386390210.db2.gz GUKCWILPLNYZSD-BBBLOLIVSA-N 0 3 243.297 3.039 20 0 BGADHN CO[C@H](C)[C@@H](C)N[C@@H](C)c1cc(F)cc(F)c1 ZINC000290080168 386389424 /nfs/dbraw/zinc/38/94/24/386389424.db2.gz GUKCWILPLNYZSD-KXUCPTDWSA-N 0 3 243.297 3.039 20 0 BGADHN CO[C@H](C)[C@@H](C)N[C@H](C)c1cc(F)cc(F)c1 ZINC000290080170 386393139 /nfs/dbraw/zinc/39/31/39/386393139.db2.gz GUKCWILPLNYZSD-OPRDCNLKSA-N 0 3 243.297 3.039 20 0 BGADHN CO[C@@H](C)[C@@H](C)N[C@@H](C)c1cc(F)cc(F)c1 ZINC000290080172 386393981 /nfs/dbraw/zinc/39/39/81/386393981.db2.gz GUKCWILPLNYZSD-UTLUCORTSA-N 0 3 243.297 3.039 20 0 BGADHN Cc1cccc(CC[C@@H](C)N[C@H](C)CF)c1 ZINC000290080761 179062195 /nfs/dbraw/zinc/06/21/95/179062195.db2.gz GNAKPSNJXBGYJH-CHWSQXEVSA-N 0 3 223.335 3.264 20 0 BGADHN Cc1cccc(CC[C@@H](C)N[C@@H](C)CF)c1 ZINC000290080766 179061510 /nfs/dbraw/zinc/06/15/10/179061510.db2.gz GNAKPSNJXBGYJH-OLZOCXBDSA-N 0 3 223.335 3.264 20 0 BGADHN Cc1cccc(CC[C@H](C)N[C@H](C)CF)c1 ZINC000290080771 179062164 /nfs/dbraw/zinc/06/21/64/179062164.db2.gz GNAKPSNJXBGYJH-QWHCGFSZSA-N 0 3 223.335 3.264 20 0 BGADHN Cc1cccc(CC[C@H](C)N[C@@H](C)CF)c1 ZINC000290080775 179061905 /nfs/dbraw/zinc/06/19/05/179061905.db2.gz GNAKPSNJXBGYJH-STQMWFEESA-N 0 3 223.335 3.264 20 0 BGADHN CC[C@H](CN[C@@H](C)c1ccc(F)c(F)c1)OC ZINC000290083796 387349212 /nfs/dbraw/zinc/34/92/12/387349212.db2.gz GXWSWIANCMFRNF-GXSJLCMTSA-N 0 3 243.297 3.040 20 0 BGADHN CC[C@@H](CN[C@H](C)c1ccc(F)c(F)c1)OC ZINC000290083800 387350365 /nfs/dbraw/zinc/35/03/65/387350365.db2.gz GXWSWIANCMFRNF-KOLCDFICSA-N 0 3 243.297 3.040 20 0 BGADHN CC[C@H](CN[C@H](C)c1ccc(F)c(F)c1)OC ZINC000290083802 387349159 /nfs/dbraw/zinc/34/91/59/387349159.db2.gz GXWSWIANCMFRNF-MWLCHTKSSA-N 0 3 243.297 3.040 20 0 BGADHN CC[C@@H](CN[C@@H](C)c1ccc(F)c(F)c1)OC ZINC000290083807 387349265 /nfs/dbraw/zinc/34/92/65/387349265.db2.gz GXWSWIANCMFRNF-ONGXEEELSA-N 0 3 243.297 3.040 20 0 BGADHN Cc1c[nH]nc1CNCC[C@@H](C)c1ccccc1 ZINC000290096809 386393774 /nfs/dbraw/zinc/39/37/74/386393774.db2.gz ZWHOEHITJQDVCF-GFCCVEGCSA-N 0 3 243.354 3.002 20 0 BGADHN Cc1c[nH]nc1CNCC[C@H](C)c1ccccc1 ZINC000290096811 386393000 /nfs/dbraw/zinc/39/30/00/386393000.db2.gz ZWHOEHITJQDVCF-LBPRGKRZSA-N 0 3 243.354 3.002 20 0 BGADHN COc1ccc([C@H](C)[C@@H](C)N[C@H](C)CF)cc1 ZINC000290115299 188389589 /nfs/dbraw/zinc/38/95/89/188389589.db2.gz IOHRFGJXPRCEJJ-IJLUTSLNSA-N 0 3 239.334 3.135 20 0 BGADHN COc1ccc([C@H](C)[C@@H](C)N[C@@H](C)CF)cc1 ZINC000290115306 188210387 /nfs/dbraw/zinc/21/03/87/188210387.db2.gz IOHRFGJXPRCEJJ-QJPTWQEYSA-N 0 3 239.334 3.135 20 0 BGADHN COc1ccc([C@H](C)[C@H](C)N[C@@H](C)CF)cc1 ZINC000290115314 188210299 /nfs/dbraw/zinc/21/02/99/188210299.db2.gz IOHRFGJXPRCEJJ-TUAOUCFPSA-N 0 3 239.334 3.135 20 0 BGADHN COc1ccc([C@H](C)[C@H](C)N[C@H](C)CF)cc1 ZINC000290115321 386395591 /nfs/dbraw/zinc/39/55/91/386395591.db2.gz IOHRFGJXPRCEJJ-UTUOFQBUSA-N 0 3 239.334 3.135 20 0 BGADHN CCC(CC)N(CC)Cc1cncs1 ZINC000290119473 168371758 /nfs/dbraw/zinc/37/17/58/168371758.db2.gz ISAWUMRCEDKHRO-UHFFFAOYSA-N 0 3 212.362 3.154 20 0 BGADHN CC(C)SCCNCc1ccccc1F ZINC000290125665 167331025 /nfs/dbraw/zinc/33/10/25/167331025.db2.gz MKNLLWJLSAXWPT-UHFFFAOYSA-N 0 3 227.348 3.057 20 0 BGADHN C[C@H](CF)NC1CC(c2ccc(F)cc2)C1 ZINC000290125738 398180617 /nfs/dbraw/zinc/18/06/17/398180617.db2.gz JESYQTVHRVHSQZ-CBZQXFMTSA-N 0 3 225.282 3.019 20 0 BGADHN C[C@@H](CF)NC1CC(c2ccc(F)cc2)C1 ZINC000290125739 398180359 /nfs/dbraw/zinc/18/03/59/398180359.db2.gz JESYQTVHRVHSQZ-FJJSSXBZSA-N 0 3 225.282 3.019 20 0 BGADHN C[C@H]1C[C@H](C(C)(C)C)CCN1Cc1cncnc1 ZINC000290128082 177354901 /nfs/dbraw/zinc/35/49/01/177354901.db2.gz JLGCNHKOZWFDJZ-GXTWGEPZSA-N 0 3 247.386 3.123 20 0 BGADHN C[C@H]1C[C@@H](C(C)(C)C)CCN1Cc1cncnc1 ZINC000290128090 177309777 /nfs/dbraw/zinc/30/97/77/177309777.db2.gz JLGCNHKOZWFDJZ-JSGCOSHPSA-N 0 3 247.386 3.123 20 0 BGADHN C[C@@H]1C[C@@H](C(C)(C)C)CCN1Cc1cncnc1 ZINC000290128099 176360179 /nfs/dbraw/zinc/36/01/79/176360179.db2.gz JLGCNHKOZWFDJZ-OCCSQVGLSA-N 0 3 247.386 3.123 20 0 BGADHN C[C@@H]1C[C@H](C(C)(C)C)CCN1Cc1cncnc1 ZINC000290128108 386397626 /nfs/dbraw/zinc/39/76/26/386397626.db2.gz JLGCNHKOZWFDJZ-TZMCWYRMSA-N 0 3 247.386 3.123 20 0 BGADHN C[C@H](c1ccco1)N(C)CC1CCC(=O)CC1 ZINC000290130494 177048016 /nfs/dbraw/zinc/04/80/16/177048016.db2.gz UXYUJIBRVKWTAO-LLVKDONJSA-N 0 3 235.327 3.032 20 0 BGADHN C[C@@H](c1ccco1)N(C)CC1CCC(=O)CC1 ZINC000290130496 176032220 /nfs/dbraw/zinc/03/22/20/176032220.db2.gz UXYUJIBRVKWTAO-NSHDSACASA-N 0 3 235.327 3.032 20 0 BGADHN CCC(=O)CCCN(C)[C@H](C)c1ccccc1 ZINC000290141083 168198750 /nfs/dbraw/zinc/19/87/50/168198750.db2.gz VTXOXKHHMVGNBU-CYBMUJFWSA-N 0 3 233.355 3.439 20 0 BGADHN CCC(=O)CCCN(C)[C@@H](C)c1ccccc1 ZINC000290141085 168198212 /nfs/dbraw/zinc/19/82/12/168198212.db2.gz VTXOXKHHMVGNBU-ZDUSSCGKSA-N 0 3 233.355 3.439 20 0 BGADHN CC[C@@H](CN[C@@H](CC)c1cccc(F)c1)OC ZINC000290145241 386828327 /nfs/dbraw/zinc/82/83/27/386828327.db2.gz KYMLMXAJXRGVFB-KBPBESRZSA-N 0 3 239.334 3.291 20 0 BGADHN CC[C@H](CN[C@@H](CC)c1cccc(F)c1)OC ZINC000290145242 188223611 /nfs/dbraw/zinc/22/36/11/188223611.db2.gz KYMLMXAJXRGVFB-KGLIPLIRSA-N 0 3 239.334 3.291 20 0 BGADHN CC[C@@H](NC[C@H](CC)OC)c1cccc(F)c1 ZINC000290145244 386828408 /nfs/dbraw/zinc/82/84/08/386828408.db2.gz KYMLMXAJXRGVFB-UONOGXRCSA-N 0 3 239.334 3.291 20 0 BGADHN CC[C@H](CN[C@H](CC)c1cccc(F)c1)OC ZINC000290145245 386829373 /nfs/dbraw/zinc/82/93/73/386829373.db2.gz KYMLMXAJXRGVFB-ZIAGYGMSSA-N 0 3 239.334 3.291 20 0 BGADHN COc1ccsc1CN[C@@H]1CCC1(C)C ZINC000290152187 175378154 /nfs/dbraw/zinc/37/81/54/175378154.db2.gz PADDVKRAKFOYLK-LLVKDONJSA-N 0 3 225.357 3.035 20 0 BGADHN COc1ccsc1CN[C@H]1CCC1(C)C ZINC000290152192 175379229 /nfs/dbraw/zinc/37/92/29/175379229.db2.gz PADDVKRAKFOYLK-NSHDSACASA-N 0 3 225.357 3.035 20 0 BGADHN CC(C)SCCNCc1cc(F)cc(F)c1 ZINC000290154497 167329935 /nfs/dbraw/zinc/32/99/35/167329935.db2.gz PIMLZXBLOUGOAH-UHFFFAOYSA-N 0 3 245.338 3.196 20 0 BGADHN CC(C)OCCN[C@H]1C[C@@H](C)c2ccccc21 ZINC000290172331 167247149 /nfs/dbraw/zinc/24/71/49/167247149.db2.gz DVSGXBDRTHAFHV-DOMZBBRYSA-N 0 3 233.355 3.250 20 0 BGADHN CC(C)OCCN[C@@H]1C[C@@H](C)c2ccccc21 ZINC000290172343 167243615 /nfs/dbraw/zinc/24/36/15/167243615.db2.gz DVSGXBDRTHAFHV-IUODEOHRSA-N 0 3 233.355 3.250 20 0 BGADHN CC(C)OCCN[C@@H]1C[C@H](C)c2ccccc21 ZINC000290172354 167244739 /nfs/dbraw/zinc/24/47/39/167244739.db2.gz DVSGXBDRTHAFHV-SWLSCSKDSA-N 0 3 233.355 3.250 20 0 BGADHN CC(C)OCCN[C@H]1C[C@H](C)c2ccccc21 ZINC000290172364 167246229 /nfs/dbraw/zinc/24/62/29/167246229.db2.gz DVSGXBDRTHAFHV-WFASDCNBSA-N 0 3 233.355 3.250 20 0 BGADHN CSc1ccccc1C[C@@H](C)N[C@H](C)CF ZINC000290172488 398187399 /nfs/dbraw/zinc/18/73/99/398187399.db2.gz MYPSKEOMTWPTJV-GHMZBOCLSA-N 0 3 241.375 3.287 20 0 BGADHN CSc1ccccc1C[C@@H](C)N[C@@H](C)CF ZINC000290172490 175582726 /nfs/dbraw/zinc/58/27/26/175582726.db2.gz MYPSKEOMTWPTJV-MNOVXSKESA-N 0 3 241.375 3.287 20 0 BGADHN CSc1ccccc1C[C@H](C)N[C@@H](C)CF ZINC000290172491 398187214 /nfs/dbraw/zinc/18/72/14/398187214.db2.gz MYPSKEOMTWPTJV-QWRGUYRKSA-N 0 3 241.375 3.287 20 0 BGADHN CSc1ccccc1C[C@H](C)N[C@H](C)CF ZINC000290172493 398187106 /nfs/dbraw/zinc/18/71/06/398187106.db2.gz MYPSKEOMTWPTJV-WDEREUQCSA-N 0 3 241.375 3.287 20 0 BGADHN C[C@H](CCN[C@@H](C)CF)c1ccccc1 ZINC000290172531 398187349 /nfs/dbraw/zinc/18/73/49/398187349.db2.gz MZDNSSVJYANBFT-NEPJUHHUSA-N 0 3 209.308 3.128 20 0 BGADHN C[C@H](CF)NCC[C@H](C)c1ccccc1 ZINC000290172533 398187377 /nfs/dbraw/zinc/18/73/77/398187377.db2.gz MZDNSSVJYANBFT-NWDGAFQWSA-N 0 3 209.308 3.128 20 0 BGADHN C[C@@H](CF)NCC[C@H](C)c1ccccc1 ZINC000290172535 398187422 /nfs/dbraw/zinc/18/74/22/398187422.db2.gz MZDNSSVJYANBFT-RYUDHWBXSA-N 0 3 209.308 3.128 20 0 BGADHN CO[C@@H](C)[C@@H](C)N[C@H](C)c1cccc(F)c1F ZINC000290184767 386405099 /nfs/dbraw/zinc/40/50/99/386405099.db2.gz NWPDQDBWKQYIRS-BBBLOLIVSA-N 0 3 243.297 3.039 20 0 BGADHN CO[C@@H](C)[C@@H](C)N[C@@H](C)c1cccc(F)c1F ZINC000290184769 386404544 /nfs/dbraw/zinc/40/45/44/386404544.db2.gz NWPDQDBWKQYIRS-UTLUCORTSA-N 0 3 243.297 3.039 20 0 BGADHN CCc1ccc(CNCCSC(C)C)o1 ZINC000290199849 388467890 /nfs/dbraw/zinc/46/78/90/388467890.db2.gz UOTXYJLYCGORBB-UHFFFAOYSA-N 0 3 227.373 3.073 20 0 BGADHN C[C@H](CF)N[C@H](C)CCc1ccc(F)cc1 ZINC000290200708 388626288 /nfs/dbraw/zinc/62/62/88/388626288.db2.gz PNYKTLJYZCLTJP-GHMZBOCLSA-N 0 3 227.298 3.094 20 0 BGADHN C[C@H](CCc1ccc(F)cc1)N[C@@H](C)CF ZINC000290200714 388626070 /nfs/dbraw/zinc/62/60/70/388626070.db2.gz PNYKTLJYZCLTJP-MNOVXSKESA-N 0 3 227.298 3.094 20 0 BGADHN C[C@@H](CF)N[C@@H](C)CCc1ccc(F)cc1 ZINC000290200719 388626196 /nfs/dbraw/zinc/62/61/96/388626196.db2.gz PNYKTLJYZCLTJP-QWRGUYRKSA-N 0 3 227.298 3.094 20 0 BGADHN C[C@H](CF)N[C@@H](C)CCc1ccc(F)cc1 ZINC000290200722 388626062 /nfs/dbraw/zinc/62/60/62/388626062.db2.gz PNYKTLJYZCLTJP-WDEREUQCSA-N 0 3 227.298 3.094 20 0 BGADHN CC(C)SCCNCc1ccc(F)cc1F ZINC000290201723 167330925 /nfs/dbraw/zinc/33/09/25/167330925.db2.gz UTYFUTRELUMZSY-UHFFFAOYSA-N 0 3 245.338 3.196 20 0 BGADHN CC(C)SCCNCc1cccc(F)c1F ZINC000290215032 167330682 /nfs/dbraw/zinc/33/06/82/167330682.db2.gz WLISYERRBIBFJS-UHFFFAOYSA-N 0 3 245.338 3.196 20 0 BGADHN CC(C)SCCNCc1ccc(F)c(F)c1 ZINC000290222299 167330672 /nfs/dbraw/zinc/33/06/72/167330672.db2.gz XHNZXMXPZZGCSV-UHFFFAOYSA-N 0 3 245.338 3.196 20 0 BGADHN COCC(C)(C)CCCNCc1ccc(C)o1 ZINC000290223643 174068452 /nfs/dbraw/zinc/06/84/52/174068452.db2.gz XMGDZBVEXRVVQE-UHFFFAOYSA-N 0 3 239.359 3.130 20 0 BGADHN CC[C@H](CN[C@H](C)c1cc(F)cc(F)c1)OC ZINC000290227063 388565446 /nfs/dbraw/zinc/56/54/46/388565446.db2.gz RIPULTWOTTVMEQ-NOZJJQNGSA-N 0 3 243.297 3.040 20 0 BGADHN CC[C@@H](CN[C@H](C)c1cc(F)cc(F)c1)OC ZINC000290227064 388565929 /nfs/dbraw/zinc/56/59/29/388565929.db2.gz RIPULTWOTTVMEQ-RNCFNFMXSA-N 0 3 243.297 3.040 20 0 BGADHN CC[C@H](CN[C@@H](C)c1cc(F)cc(F)c1)OC ZINC000290227066 388565319 /nfs/dbraw/zinc/56/53/19/388565319.db2.gz RIPULTWOTTVMEQ-TVQRCGJNSA-N 0 3 243.297 3.040 20 0 BGADHN CC[C@@H](CN[C@@H](C)c1cc(F)cc(F)c1)OC ZINC000290227068 388566023 /nfs/dbraw/zinc/56/60/23/388566023.db2.gz RIPULTWOTTVMEQ-ZANVPECISA-N 0 3 243.297 3.040 20 0 BGADHN CC[C@H](CN[C@H](C)c1csc(Cl)c1)OC ZINC000290231280 388402299 /nfs/dbraw/zinc/40/22/99/388402299.db2.gz RRIRFKICVUFHKV-PSASIEDQSA-N 0 3 247.791 3.477 20 0 BGADHN CC[C@@H](CN[C@H](C)c1csc(Cl)c1)OC ZINC000290231282 388401867 /nfs/dbraw/zinc/40/18/67/388401867.db2.gz RRIRFKICVUFHKV-SCZZXKLOSA-N 0 3 247.791 3.477 20 0 BGADHN CC[C@H](CN[C@@H](C)c1csc(Cl)c1)OC ZINC000290231283 388401716 /nfs/dbraw/zinc/40/17/16/388401716.db2.gz RRIRFKICVUFHKV-WCBMZHEXSA-N 0 3 247.791 3.477 20 0 BGADHN CC[C@@H](CN[C@@H](C)c1csc(Cl)c1)OC ZINC000290231285 388401758 /nfs/dbraw/zinc/40/17/58/388401758.db2.gz RRIRFKICVUFHKV-WPRPVWTQSA-N 0 3 247.791 3.477 20 0 BGADHN CC[C@H](CN[C@@H](C)c1ccc(F)cc1F)OC ZINC000290233348 388761590 /nfs/dbraw/zinc/76/15/90/388761590.db2.gz RWXLARFSYHDAIW-GXSJLCMTSA-N 0 3 243.297 3.040 20 0 BGADHN CC[C@@H](CN[C@H](C)c1ccc(F)cc1F)OC ZINC000290233351 388763609 /nfs/dbraw/zinc/76/36/09/388763609.db2.gz RWXLARFSYHDAIW-KOLCDFICSA-N 0 3 243.297 3.040 20 0 BGADHN CC[C@H](CN[C@H](C)c1ccc(F)cc1F)OC ZINC000290233353 388764956 /nfs/dbraw/zinc/76/49/56/388764956.db2.gz RWXLARFSYHDAIW-MWLCHTKSSA-N 0 3 243.297 3.040 20 0 BGADHN CC[C@@H](CN[C@@H](C)c1ccc(F)cc1F)OC ZINC000290233355 388765423 /nfs/dbraw/zinc/76/54/23/388765423.db2.gz RWXLARFSYHDAIW-ONGXEEELSA-N 0 3 243.297 3.040 20 0 BGADHN CO[C@@H](C)[C@@H](C)N[C@H](C)c1cc(F)ccc1F ZINC000290237406 386408973 /nfs/dbraw/zinc/40/89/73/386408973.db2.gz SIAYCTZLRUILOV-BBBLOLIVSA-N 0 3 243.297 3.039 20 0 BGADHN C[C@H](CF)N[C@H](C)CCc1ccccc1F ZINC000290245909 385285434 /nfs/dbraw/zinc/28/54/34/385285434.db2.gz VDQCJCKAPJZBMA-GHMZBOCLSA-N 0 3 227.298 3.094 20 0 BGADHN C[C@H](CCc1ccccc1F)N[C@@H](C)CF ZINC000290245911 385285356 /nfs/dbraw/zinc/28/53/56/385285356.db2.gz VDQCJCKAPJZBMA-MNOVXSKESA-N 0 3 227.298 3.094 20 0 BGADHN C[C@@H](CF)N[C@@H](C)CCc1ccccc1F ZINC000290245912 385284869 /nfs/dbraw/zinc/28/48/69/385284869.db2.gz VDQCJCKAPJZBMA-QWRGUYRKSA-N 0 3 227.298 3.094 20 0 BGADHN C[C@H](CF)N[C@@H](C)CCc1ccccc1F ZINC000290245914 385284155 /nfs/dbraw/zinc/28/41/55/385284155.db2.gz VDQCJCKAPJZBMA-WDEREUQCSA-N 0 3 227.298 3.094 20 0 BGADHN C[C@H](CF)N[C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000290248440 386413579 /nfs/dbraw/zinc/41/35/79/386413579.db2.gz VKOSSIWGRCXQDX-DDTOSNHZSA-N 0 3 239.309 3.409 20 0 BGADHN C[C@H](CF)N[C@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000290248443 386413837 /nfs/dbraw/zinc/41/38/37/386413837.db2.gz VKOSSIWGRCXQDX-HONMWMINSA-N 0 3 239.309 3.409 20 0 BGADHN C[C@H](CF)N[C@@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000290248445 386412281 /nfs/dbraw/zinc/41/22/81/386412281.db2.gz VKOSSIWGRCXQDX-LERXQTSPSA-N 0 3 239.309 3.409 20 0 BGADHN C[C@H](CF)N[C@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000290248448 386411784 /nfs/dbraw/zinc/41/17/84/386411784.db2.gz VKOSSIWGRCXQDX-SWHYSGLUSA-N 0 3 239.309 3.409 20 0 BGADHN CC[C@H](CN[C@H](C)c1cccc(F)c1F)OC ZINC000290254161 384599003 /nfs/dbraw/zinc/59/90/03/384599003.db2.gz UOJATUUYOZUIMJ-NXEZZACHSA-N 0 3 243.297 3.040 20 0 BGADHN CC[C@@H](CN[C@@H](C)c1cccc(F)c1F)OC ZINC000290254163 384598128 /nfs/dbraw/zinc/59/81/28/384598128.db2.gz UOJATUUYOZUIMJ-UWVGGRQHSA-N 0 3 243.297 3.040 20 0 BGADHN CC[C@H](CN[C@@H](C)c1cccc(F)c1F)OC ZINC000290254165 384597267 /nfs/dbraw/zinc/59/72/67/384597267.db2.gz UOJATUUYOZUIMJ-VHSXEESVSA-N 0 3 243.297 3.040 20 0 BGADHN CC[C@@H](CN[C@H](C)c1cccc(F)c1F)OC ZINC000290254168 384597619 /nfs/dbraw/zinc/59/76/19/384597619.db2.gz UOJATUUYOZUIMJ-ZJUUUORDSA-N 0 3 243.297 3.040 20 0 BGADHN Cc1ccccc1C1CC(N[C@@H](C)CF)C1 ZINC000290254380 179256372 /nfs/dbraw/zinc/25/63/72/179256372.db2.gz VZKTZXLDWCSOPL-HIFPTAJRSA-N 0 3 221.319 3.189 20 0 BGADHN Cc1ccccc1C1CC(N[C@H](C)CF)C1 ZINC000290254388 179256212 /nfs/dbraw/zinc/25/62/12/179256212.db2.gz VZKTZXLDWCSOPL-PNESKVBLSA-N 0 3 221.319 3.189 20 0 BGADHN COc1cncc(CN(C)C2CCC(C)CC2)c1 ZINC000290256183 175384702 /nfs/dbraw/zinc/38/47/02/175384702.db2.gz KFIVEUITNGJCJU-UHFFFAOYSA-N 0 3 248.370 3.101 20 0 BGADHN C[C@H](CF)N[C@H](C)CCc1cccc(F)c1 ZINC000290266980 383913182 /nfs/dbraw/zinc/91/31/82/383913182.db2.gz XJGDLGWWZPCADJ-GHMZBOCLSA-N 0 3 227.298 3.094 20 0 BGADHN C[C@H](CCc1cccc(F)c1)N[C@@H](C)CF ZINC000290266981 383913221 /nfs/dbraw/zinc/91/32/21/383913221.db2.gz XJGDLGWWZPCADJ-MNOVXSKESA-N 0 3 227.298 3.094 20 0 BGADHN C[C@@H](CF)N[C@@H](C)CCc1cccc(F)c1 ZINC000290266982 383913391 /nfs/dbraw/zinc/91/33/91/383913391.db2.gz XJGDLGWWZPCADJ-QWRGUYRKSA-N 0 3 227.298 3.094 20 0 BGADHN C[C@H](CF)N[C@@H](C)CCc1cccc(F)c1 ZINC000290266983 175686176 /nfs/dbraw/zinc/68/61/76/175686176.db2.gz XJGDLGWWZPCADJ-WDEREUQCSA-N 0 3 227.298 3.094 20 0 BGADHN Cc1ccc(CC[C@@H](C)N[C@H](C)CF)cc1 ZINC000290272230 188268569 /nfs/dbraw/zinc/26/85/69/188268569.db2.gz XZQGMRQYHWYCJC-CHWSQXEVSA-N 0 3 223.335 3.264 20 0 BGADHN Cc1ccc(CC[C@@H](C)N[C@@H](C)CF)cc1 ZINC000290272235 383997045 /nfs/dbraw/zinc/99/70/45/383997045.db2.gz XZQGMRQYHWYCJC-OLZOCXBDSA-N 0 3 223.335 3.264 20 0 BGADHN Cc1ccc(CC[C@H](C)N[C@H](C)CF)cc1 ZINC000290272238 383997226 /nfs/dbraw/zinc/99/72/26/383997226.db2.gz XZQGMRQYHWYCJC-QWHCGFSZSA-N 0 3 223.335 3.264 20 0 BGADHN Cc1ccc(CC[C@H](C)N[C@@H](C)CF)cc1 ZINC000290272242 383997451 /nfs/dbraw/zinc/99/74/51/383997451.db2.gz XZQGMRQYHWYCJC-STQMWFEESA-N 0 3 223.335 3.264 20 0 BGADHN C[C@H](N[C@@H](C)[C@H](O)c1ccccc1)c1ccco1 ZINC000290275774 386416630 /nfs/dbraw/zinc/41/66/30/386416630.db2.gz LVHSQPBTFBFSGH-HUBLWGQQSA-N 0 3 245.322 3.052 20 0 BGADHN C[C@H](N[C@@H](C)[C@@H](O)c1ccccc1)c1ccco1 ZINC000290275777 386416440 /nfs/dbraw/zinc/41/64/40/386416440.db2.gz LVHSQPBTFBFSGH-SLEUVZQESA-N 0 3 245.322 3.052 20 0 BGADHN C[C@@H](N[C@@H](C)c1ccco1)[C@@H](O)c1ccccc1 ZINC000290275780 386415321 /nfs/dbraw/zinc/41/53/21/386415321.db2.gz LVHSQPBTFBFSGH-YWPYICTPSA-N 0 3 245.322 3.052 20 0 BGADHN C[C@@H](N[C@@H](C)c1ccco1)[C@H](O)c1ccccc1 ZINC000290275783 386415298 /nfs/dbraw/zinc/41/52/98/386415298.db2.gz LVHSQPBTFBFSGH-ZOWXZIJZSA-N 0 3 245.322 3.052 20 0 BGADHN CN(Cc1ccco1)C1CCC(F)(F)CC1 ZINC000290277490 386416333 /nfs/dbraw/zinc/41/63/33/386416333.db2.gz YQVBFOOJEDYABY-UHFFFAOYSA-N 0 3 229.270 3.289 20 0 BGADHN Cc1nc(F)ccc1CN1CCC[C@H](C2CC2)C1 ZINC000290279685 187348421 /nfs/dbraw/zinc/34/84/21/187348421.db2.gz YXQLTPNWEQEGBY-AWEZNQCLSA-N 0 3 248.345 3.151 20 0 BGADHN Cc1nc(F)ccc1CN1CCC[C@@H](C2CC2)C1 ZINC000290279686 188210794 /nfs/dbraw/zinc/21/07/94/188210794.db2.gz YXQLTPNWEQEGBY-CQSZACIVSA-N 0 3 248.345 3.151 20 0 BGADHN CO[C@@H](C)[C@@H](C)N[C@H](C)c1ccc(F)cc1F ZINC000290282908 386417323 /nfs/dbraw/zinc/41/73/23/386417323.db2.gz XICLFWAJIBKKIW-BBBLOLIVSA-N 0 3 243.297 3.039 20 0 BGADHN CC[C@H](CN[C@H](CC)c1ccccc1F)OC ZINC000290288626 383935662 /nfs/dbraw/zinc/93/56/62/383935662.db2.gz XUKZKWYMKRVGSY-BXUZGUMPSA-N 0 3 239.334 3.291 20 0 BGADHN CC[C@@H](CN[C@@H](CC)c1ccccc1F)OC ZINC000290288630 383936800 /nfs/dbraw/zinc/93/68/00/383936800.db2.gz XUKZKWYMKRVGSY-FZMZJTMJSA-N 0 3 239.334 3.291 20 0 BGADHN CC[C@H](CN[C@@H](CC)c1ccccc1F)OC ZINC000290288633 383936894 /nfs/dbraw/zinc/93/68/94/383936894.db2.gz XUKZKWYMKRVGSY-RISCZKNCSA-N 0 3 239.334 3.291 20 0 BGADHN CC[C@@H](NC[C@H](CC)OC)c1ccccc1F ZINC000290288637 383935174 /nfs/dbraw/zinc/93/51/74/383935174.db2.gz XUKZKWYMKRVGSY-SMDDNHRTSA-N 0 3 239.334 3.291 20 0 BGADHN CC[C@H](CN[C@@H](C)c1cc(F)ccc1F)OC ZINC000290299912 388366309 /nfs/dbraw/zinc/36/63/09/388366309.db2.gz YRGKWLNVXFSBDU-GXSJLCMTSA-N 0 3 243.297 3.040 20 0 BGADHN CC[C@@H](CN[C@H](C)c1cc(F)ccc1F)OC ZINC000290299914 388366317 /nfs/dbraw/zinc/36/63/17/388366317.db2.gz YRGKWLNVXFSBDU-KOLCDFICSA-N 0 3 243.297 3.040 20 0 BGADHN CC[C@H](CN[C@H](C)c1cc(F)ccc1F)OC ZINC000290299916 386591187 /nfs/dbraw/zinc/59/11/87/386591187.db2.gz YRGKWLNVXFSBDU-MWLCHTKSSA-N 0 3 243.297 3.040 20 0 BGADHN CC[C@@H](CN[C@@H](C)c1cc(F)ccc1F)OC ZINC000290299918 388366731 /nfs/dbraw/zinc/36/67/31/388366731.db2.gz YRGKWLNVXFSBDU-ONGXEEELSA-N 0 3 243.297 3.040 20 0 BGADHN CC[C@H](CSC)N(C)Cc1occc1C ZINC000290300071 386417165 /nfs/dbraw/zinc/41/71/65/386417165.db2.gz BDMKCIABDSBVPZ-LLVKDONJSA-N 0 3 227.373 3.161 20 0 BGADHN CC[C@@H](CSC)N(C)Cc1occc1C ZINC000290300072 386416865 /nfs/dbraw/zinc/41/68/65/386416865.db2.gz BDMKCIABDSBVPZ-NSHDSACASA-N 0 3 227.373 3.161 20 0 BGADHN CO[C@@H](C)[C@@H](C)N[C@H](C)c1ccc(F)c(F)c1 ZINC000290312705 386419310 /nfs/dbraw/zinc/41/93/10/386419310.db2.gz ZWIGDCPCXQWLOX-BBBLOLIVSA-N 0 3 243.297 3.039 20 0 BGADHN CC[C@H](CSC)N(C)Cc1ccc(C)o1 ZINC000290352014 386421413 /nfs/dbraw/zinc/42/14/13/386421413.db2.gz GCYLTEQHZWMNAO-LLVKDONJSA-N 0 3 227.373 3.161 20 0 BGADHN CC[C@@H](CSC)N(C)Cc1ccc(C)o1 ZINC000290352015 386423409 /nfs/dbraw/zinc/42/34/09/386423409.db2.gz GCYLTEQHZWMNAO-NSHDSACASA-N 0 3 227.373 3.161 20 0 BGADHN CSC1(CN(C)Cc2cccs2)CCC1 ZINC000290364371 386426298 /nfs/dbraw/zinc/42/62/98/386426298.db2.gz HCOCEGOPSQFXMV-UHFFFAOYSA-N 0 3 241.425 3.466 20 0 BGADHN CSC1(CN(C)Cc2ccoc2C)CCC1 ZINC000290373476 386424644 /nfs/dbraw/zinc/42/46/44/386424644.db2.gz HXCNOCMRECLLKB-UHFFFAOYSA-N 0 3 239.384 3.306 20 0 BGADHN Cc1cn[nH]c1CN(C)[C@H](C)c1ccccc1C ZINC000290373485 179318119 /nfs/dbraw/zinc/31/81/19/179318119.db2.gz HXFNOGRBVQWBON-CYBMUJFWSA-N 0 3 243.354 3.220 20 0 BGADHN Cc1cn[nH]c1CN(C)[C@@H](C)c1ccccc1C ZINC000290373489 179335001 /nfs/dbraw/zinc/33/50/01/179335001.db2.gz HXFNOGRBVQWBON-ZDUSSCGKSA-N 0 3 243.354 3.220 20 0 BGADHN COC[C@@H](NC1CCC1)c1cccc(Cl)c1 ZINC000290385500 384083195 /nfs/dbraw/zinc/08/31/95/384083195.db2.gz RXTQHZSDXVPMEV-CYBMUJFWSA-N 0 3 239.746 3.170 20 0 BGADHN COC[C@H](NC1CCC1)c1cccc(Cl)c1 ZINC000290385501 384083399 /nfs/dbraw/zinc/08/33/99/384083399.db2.gz RXTQHZSDXVPMEV-ZDUSSCGKSA-N 0 3 239.746 3.170 20 0 BGADHN Cc1cn[nH]c1CN1CCC[C@@H]1c1ccsc1 ZINC000290391396 386429556 /nfs/dbraw/zinc/42/95/56/386429556.db2.gz JLVMNYXTOZVBGR-CYBMUJFWSA-N 0 3 247.367 3.117 20 0 BGADHN Cc1cn[nH]c1CN1CCC[C@H]1c1ccsc1 ZINC000290391400 386428877 /nfs/dbraw/zinc/42/88/77/386428877.db2.gz JLVMNYXTOZVBGR-ZDUSSCGKSA-N 0 3 247.367 3.117 20 0 BGADHN CC[C@H](CSC)N(C)Cc1ccsc1 ZINC000290392270 386428790 /nfs/dbraw/zinc/42/87/90/386428790.db2.gz IXRAVRDVHOIVGS-LLVKDONJSA-N 0 3 229.414 3.322 20 0 BGADHN CC[C@@H](CSC)N(C)Cc1ccsc1 ZINC000290392272 386430368 /nfs/dbraw/zinc/43/03/68/386430368.db2.gz IXRAVRDVHOIVGS-NSHDSACASA-N 0 3 229.414 3.322 20 0 BGADHN CC[C@@H](CSC)N(C)Cc1scnc1C ZINC000290395869 386427987 /nfs/dbraw/zinc/42/79/87/386427987.db2.gz JCOWWQFKWBFBTJ-JTQLQIEISA-N 0 3 244.429 3.025 20 0 BGADHN CC[C@H](CSC)N(C)Cc1scnc1C ZINC000290395872 386428266 /nfs/dbraw/zinc/42/82/66/386428266.db2.gz JCOWWQFKWBFBTJ-SNVBAGLBSA-N 0 3 244.429 3.025 20 0 BGADHN CCCN(Cc1[nH]ncc1C)Cc1ccccc1 ZINC000290396314 169177386 /nfs/dbraw/zinc/17/73/86/169177386.db2.gz JXKAPQRSOGPEFO-UHFFFAOYSA-N 0 3 243.354 3.130 20 0 BGADHN Cc1cn[nH]c1CN(C)[C@H](C)c1ccc(C)cc1 ZINC000290404739 386429327 /nfs/dbraw/zinc/42/93/27/386429327.db2.gz KSGORDLXECCCQR-CYBMUJFWSA-N 0 3 243.354 3.220 20 0 BGADHN Cc1cn[nH]c1CN(C)[C@@H](C)c1ccc(C)cc1 ZINC000290404742 386429229 /nfs/dbraw/zinc/42/92/29/386429229.db2.gz KSGORDLXECCCQR-ZDUSSCGKSA-N 0 3 243.354 3.220 20 0 BGADHN c1ccc(CN(C[C@H]2CC=CCC2)C2CC2)nc1 ZINC000290409231 187348201 /nfs/dbraw/zinc/34/82/01/187348201.db2.gz JXOZPFHDGNTWRQ-AWEZNQCLSA-N 0 3 242.366 3.402 20 0 BGADHN c1ccc(CN(C[C@@H]2CC=CCC2)C2CC2)nc1 ZINC000290409232 386430276 /nfs/dbraw/zinc/43/02/76/386430276.db2.gz JXOZPFHDGNTWRQ-CQSZACIVSA-N 0 3 242.366 3.402 20 0 BGADHN Cc1cn[nH]c1CN1CCC[C@@H]1c1cccs1 ZINC000290418573 386433100 /nfs/dbraw/zinc/43/31/00/386433100.db2.gz LYTLYBSCWGWFDI-GFCCVEGCSA-N 0 3 247.367 3.117 20 0 BGADHN Cc1cn[nH]c1CN1CCC[C@H]1c1cccs1 ZINC000290418577 386431642 /nfs/dbraw/zinc/43/16/42/386431642.db2.gz LYTLYBSCWGWFDI-LBPRGKRZSA-N 0 3 247.367 3.117 20 0 BGADHN CC(C)C(=O)CCN(C)[C@H](C)c1cccs1 ZINC000290435782 188389612 /nfs/dbraw/zinc/38/96/12/188389612.db2.gz VHWPEMPPGPAHPV-LLVKDONJSA-N 0 3 239.384 3.356 20 0 BGADHN CC(C)C(=O)CCN(C)[C@@H](C)c1cccs1 ZINC000290435783 188210410 /nfs/dbraw/zinc/21/04/10/188210410.db2.gz VHWPEMPPGPAHPV-NSHDSACASA-N 0 3 239.384 3.356 20 0 BGADHN Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NCCF ZINC000290450244 386437062 /nfs/dbraw/zinc/43/70/62/386437062.db2.gz VYJIWCRCJDEQED-AWEZNQCLSA-N 0 3 246.329 3.413 20 0 BGADHN Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3NCCF ZINC000290450251 386436301 /nfs/dbraw/zinc/43/63/01/386436301.db2.gz VYJIWCRCJDEQED-CQSZACIVSA-N 0 3 246.329 3.413 20 0 BGADHN COc1cncc(CN(CCC(C)C)C2CC2)c1 ZINC000290450371 538947015 /nfs/dbraw/zinc/94/70/15/538947015.db2.gz VYVOROCISCKVBN-UHFFFAOYSA-N 0 3 248.370 3.101 20 0 BGADHN CC(C)(C)CN(Cc1cncnc1)CC(C)(C)C ZINC000290456181 386440382 /nfs/dbraw/zinc/44/03/82/386440382.db2.gz MQUONXSYQBFKSW-UHFFFAOYSA-N 0 3 249.402 3.371 20 0 BGADHN COC[C@@H](NC(C)C)c1cccc(Cl)c1 ZINC000290467734 384195324 /nfs/dbraw/zinc/19/53/24/384195324.db2.gz WWDBEFOTHXNLPA-GFCCVEGCSA-N 0 3 227.735 3.026 20 0 BGADHN COC[C@H](NC(C)C)c1cccc(Cl)c1 ZINC000290467740 384195247 /nfs/dbraw/zinc/19/52/47/384195247.db2.gz WWDBEFOTHXNLPA-LBPRGKRZSA-N 0 3 227.735 3.026 20 0 BGADHN CC[C@@H](c1ccncc1)N(C)Cc1ccn(C)c1 ZINC000290471134 352226832 /nfs/dbraw/zinc/22/68/32/352226832.db2.gz NMVMLSQLWVVMSH-HNNXBMFYSA-N 0 3 243.354 3.003 20 0 BGADHN CC[C@H](c1ccncc1)N(C)Cc1ccn(C)c1 ZINC000290471139 386438423 /nfs/dbraw/zinc/43/84/23/386438423.db2.gz NMVMLSQLWVVMSH-OAHLLOKOSA-N 0 3 243.354 3.003 20 0 BGADHN FCCN[C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000290473252 386439259 /nfs/dbraw/zinc/43/92/59/386439259.db2.gz WZQCMJVTMSRLHK-CYBMUJFWSA-N 0 3 232.302 3.104 20 0 BGADHN FCCN[C@H]1CCCc2c3ccccc3[nH]c21 ZINC000290473258 386439075 /nfs/dbraw/zinc/43/90/75/386439075.db2.gz WZQCMJVTMSRLHK-ZDUSSCGKSA-N 0 3 232.302 3.104 20 0 BGADHN c1cc2cc(CN3CCCSCC3)ccc2o1 ZINC000290473995 183374563 /nfs/dbraw/zinc/37/45/63/183374563.db2.gz UXZOVZPLIXZLAF-UHFFFAOYSA-N 0 3 247.363 3.372 20 0 BGADHN CSC1(CNc2cc(C)cc(C)n2)CC1 ZINC000290476053 384222619 /nfs/dbraw/zinc/22/26/19/384222619.db2.gz VBXYHVKANDAZOW-UHFFFAOYSA-N 0 3 222.357 3.006 20 0 BGADHN CC[C@H]1CC[C@H](C)N1Cc1ccc(F)nc1C ZINC000290480385 386442084 /nfs/dbraw/zinc/44/20/84/386442084.db2.gz NYYCLRURDAUHLI-GWCFXTLKSA-N 0 3 236.334 3.292 20 0 BGADHN CC[C@@H]1CC[C@H](C)N1Cc1ccc(F)nc1C ZINC000290480407 171053803 /nfs/dbraw/zinc/05/38/03/171053803.db2.gz NYYCLRURDAUHLI-GXFFZTMASA-N 0 3 236.334 3.292 20 0 BGADHN CC[C@H]1CC[C@@H](C)N1Cc1ccc(F)nc1C ZINC000290480426 386442612 /nfs/dbraw/zinc/44/26/12/386442612.db2.gz NYYCLRURDAUHLI-MFKMUULPSA-N 0 3 236.334 3.292 20 0 BGADHN CC[C@@H]1CC[C@@H](C)N1Cc1ccc(F)nc1C ZINC000290480444 171037998 /nfs/dbraw/zinc/03/79/98/171037998.db2.gz NYYCLRURDAUHLI-ZWNOBZJWSA-N 0 3 236.334 3.292 20 0 BGADHN Cc1ccc(CN(C)CCC(=O)C(C)C)s1 ZINC000290487337 386442249 /nfs/dbraw/zinc/44/22/49/386442249.db2.gz XODYKFPDEUAHGG-UHFFFAOYSA-N 0 3 239.384 3.104 20 0 BGADHN CCN(C[C@H]1CCC=CO1)[C@@H](C)c1cccnc1 ZINC000290492805 386443055 /nfs/dbraw/zinc/44/30/55/386443055.db2.gz ORPKZAXMFFDIEY-DZGCQCFKSA-N 0 3 246.354 3.157 20 0 BGADHN CCN(C[C@@H]1CCC=CO1)[C@H](C)c1cccnc1 ZINC000290492807 386441911 /nfs/dbraw/zinc/44/19/11/386441911.db2.gz ORPKZAXMFFDIEY-HIFRSBDPSA-N 0 3 246.354 3.157 20 0 BGADHN CCN(C[C@H]1CCC=CO1)[C@H](C)c1cccnc1 ZINC000290492810 386443575 /nfs/dbraw/zinc/44/35/75/386443575.db2.gz ORPKZAXMFFDIEY-UKRRQHHQSA-N 0 3 246.354 3.157 20 0 BGADHN CCN(C[C@@H]1CCC=CO1)[C@@H](C)c1cccnc1 ZINC000290492812 386443895 /nfs/dbraw/zinc/44/38/95/386443895.db2.gz ORPKZAXMFFDIEY-ZFWWWQNUSA-N 0 3 246.354 3.157 20 0 BGADHN CSC1(CN(C)Cc2ccc(C)o2)CCC1 ZINC000290497001 386442974 /nfs/dbraw/zinc/44/29/74/386442974.db2.gz SDHTYLJCCGMNME-UHFFFAOYSA-N 0 3 239.384 3.306 20 0 BGADHN CCOCC(C)(C)CN[C@H](C)c1ccc(C)o1 ZINC000290499310 170352656 /nfs/dbraw/zinc/35/26/56/170352656.db2.gz YCQDLMJGTRPSPL-GFCCVEGCSA-N 0 3 239.359 3.301 20 0 BGADHN CCOCC(C)(C)CN[C@@H](C)c1ccc(C)o1 ZINC000290499321 170352730 /nfs/dbraw/zinc/35/27/30/170352730.db2.gz YCQDLMJGTRPSPL-LBPRGKRZSA-N 0 3 239.359 3.301 20 0 BGADHN CC[C@H]1CC[C@H](C)N1Cc1cccc(O)c1OC ZINC000290529031 386448228 /nfs/dbraw/zinc/44/82/28/386448228.db2.gz QMUGTDYHQVOLJX-AAEUAGOBSA-N 0 3 249.354 3.164 20 0 BGADHN CC[C@@H]1CC[C@@H](C)N1Cc1cccc(O)c1OC ZINC000290529034 171038683 /nfs/dbraw/zinc/03/86/83/171038683.db2.gz QMUGTDYHQVOLJX-DGCLKSJQSA-N 0 3 249.354 3.164 20 0 BGADHN CC[C@@H]1CC[C@H](C)N1Cc1cccc(O)c1OC ZINC000290529036 171054310 /nfs/dbraw/zinc/05/43/10/171054310.db2.gz QMUGTDYHQVOLJX-WCQYABFASA-N 0 3 249.354 3.164 20 0 BGADHN CC[C@H]1CC[C@@H](C)N1Cc1cccc(O)c1OC ZINC000290529037 386450454 /nfs/dbraw/zinc/45/04/54/386450454.db2.gz QMUGTDYHQVOLJX-YPMHNXCESA-N 0 3 249.354 3.164 20 0 BGADHN CCCCNCc1ccnc(Cl)c1Cl ZINC000290550934 383893837 /nfs/dbraw/zinc/89/38/37/383893837.db2.gz AVHVYDOTPOSYOH-UHFFFAOYSA-N 0 3 233.142 3.278 20 0 BGADHN CN(Cc1cc(O)cc(C(F)(F)F)c1)C1CC1 ZINC000290553590 386453300 /nfs/dbraw/zinc/45/33/00/386453300.db2.gz WXZDMAJXTNKXEA-UHFFFAOYSA-N 0 3 245.244 3.005 20 0 BGADHN CCN(Cc1[nH]ncc1C)Cc1ccccc1C ZINC000290555804 352230391 /nfs/dbraw/zinc/23/03/91/352230391.db2.gz XDCFAGRQLYOBOS-UHFFFAOYSA-N 0 3 243.354 3.049 20 0 BGADHN Cc1cn[nH]c1CN(C)[C@H](C)c1ccc(F)cc1 ZINC000290563303 386451342 /nfs/dbraw/zinc/45/13/42/386451342.db2.gz XTHOCBFHRPQCAA-LLVKDONJSA-N 0 3 247.317 3.050 20 0 BGADHN Cc1cn[nH]c1CN(C)[C@@H](C)c1ccc(F)cc1 ZINC000290563305 386453813 /nfs/dbraw/zinc/45/38/13/386453813.db2.gz XTHOCBFHRPQCAA-NSHDSACASA-N 0 3 247.317 3.050 20 0 BGADHN CSC1(CN2Cc3ccccc3C2)CCC1 ZINC000290563368 386453259 /nfs/dbraw/zinc/45/32/59/386453259.db2.gz XUALZIQLSVMGIN-UHFFFAOYSA-N 0 3 233.380 3.288 20 0 BGADHN Cc1ccc(CN[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)o1 ZINC000290577585 386456192 /nfs/dbraw/zinc/45/61/92/386456192.db2.gz UILCIACNPIQIAX-ARFHVFGLSA-N 0 3 239.318 3.016 20 0 BGADHN Cc1ccc(CN[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)o1 ZINC000290577596 386456983 /nfs/dbraw/zinc/45/69/83/386456983.db2.gz UILCIACNPIQIAX-OWCLPIDISA-N 0 3 239.318 3.016 20 0 BGADHN CC[C@H](CNc1ccnc2ccccc21)OC ZINC000290638707 171441616 /nfs/dbraw/zinc/44/16/16/171441616.db2.gz HSZWMXVTLOTRAB-LLVKDONJSA-N 0 3 230.311 3.072 20 0 BGADHN CC[C@@H](CNc1ccnc2ccccc21)OC ZINC000290638712 385279628 /nfs/dbraw/zinc/27/96/28/385279628.db2.gz HSZWMXVTLOTRAB-NSHDSACASA-N 0 3 230.311 3.072 20 0 BGADHN c1cc(CN[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)cs1 ZINC000290640072 386461675 /nfs/dbraw/zinc/46/16/75/386461675.db2.gz YMLNNGCDFZIMJF-RRFJBIMHSA-N 0 3 241.359 3.176 20 0 BGADHN c1cc(CN[C@H]2[C@H]3Cc4ccccc4[C@H]32)cs1 ZINC000290640095 386461542 /nfs/dbraw/zinc/46/15/42/386461542.db2.gz YMLNNGCDFZIMJF-ZNMIVQPWSA-N 0 3 241.359 3.176 20 0 BGADHN COc1ccc([C@@H](C)NCC=C(C)C)cc1O ZINC000290644430 188212188 /nfs/dbraw/zinc/21/21/88/188212188.db2.gz JRRXGPPZLSUKNC-LLVKDONJSA-N 0 3 235.327 3.018 20 0 BGADHN COc1ccc([C@H](C)NCC=C(C)C)cc1O ZINC000290644434 175188198 /nfs/dbraw/zinc/18/81/98/175188198.db2.gz JRRXGPPZLSUKNC-NSHDSACASA-N 0 3 235.327 3.018 20 0 BGADHN C[C@@H](NCc1ccnc(Cl)c1Cl)C1CC1 ZINC000290781282 384760726 /nfs/dbraw/zinc/76/07/26/384760726.db2.gz CFWYUIFGCPZNIV-SSDOTTSWSA-N 0 3 245.153 3.277 20 0 BGADHN C[C@H](NCc1ccnc(Cl)c1Cl)C1CC1 ZINC000290781283 384761403 /nfs/dbraw/zinc/76/14/03/384761403.db2.gz CFWYUIFGCPZNIV-ZETCQYMHSA-N 0 3 245.153 3.277 20 0 BGADHN CO[C@H](C)[C@@H](C)Nc1ccnc2ccccc21 ZINC000290783545 386476591 /nfs/dbraw/zinc/47/65/91/386476591.db2.gz WRSOABBGWUCMLQ-GHMZBOCLSA-N 0 3 230.311 3.070 20 0 BGADHN CO[C@@H](C)[C@@H](C)Nc1ccnc2ccccc21 ZINC000290783546 386475889 /nfs/dbraw/zinc/47/58/89/386475889.db2.gz WRSOABBGWUCMLQ-MNOVXSKESA-N 0 3 230.311 3.070 20 0 BGADHN Clc1nccc(CNC2CCC2)c1Cl ZINC000290804713 386603209 /nfs/dbraw/zinc/60/32/09/386603209.db2.gz FOUALQJURLDNRP-UHFFFAOYSA-N 0 3 231.126 3.031 20 0 BGADHN CCCC[C@H](C)N(C)Cc1cncs1 ZINC000290805350 352243147 /nfs/dbraw/zinc/24/31/47/352243147.db2.gz FRYMMFDIXFFIHS-JTQLQIEISA-N 0 3 212.362 3.154 20 0 BGADHN CCCC[C@@H](C)N(C)Cc1cncs1 ZINC000290805352 352243101 /nfs/dbraw/zinc/24/31/01/352243101.db2.gz FRYMMFDIXFFIHS-SNVBAGLBSA-N 0 3 212.362 3.154 20 0 BGADHN CC(C)(C)NCc1ccnc(Cl)c1Cl ZINC000290816854 386603300 /nfs/dbraw/zinc/60/33/00/386603300.db2.gz GPKYOOXTXBJTFI-UHFFFAOYSA-N 0 3 233.142 3.277 20 0 BGADHN CC1CC(NCc2ccnc(Cl)c2Cl)C1 ZINC000290869900 168146582 /nfs/dbraw/zinc/14/65/82/168146582.db2.gz LFFFGCMIHBITRA-UHFFFAOYSA-N 0 3 245.153 3.277 20 0 BGADHN CC[C@@H](C)NCc1ccnc(Cl)c1Cl ZINC000290879450 384899458 /nfs/dbraw/zinc/89/94/58/384899458.db2.gz LYMVPURJANGNEZ-SSDOTTSWSA-N 0 3 233.142 3.277 20 0 BGADHN CC[C@H](C)NCc1ccnc(Cl)c1Cl ZINC000290879452 171344040 /nfs/dbraw/zinc/34/40/40/171344040.db2.gz LYMVPURJANGNEZ-ZETCQYMHSA-N 0 3 233.142 3.277 20 0 BGADHN Clc1nccc(CNC2CCCC2)c1Cl ZINC000290916539 384959272 /nfs/dbraw/zinc/95/92/72/384959272.db2.gz PZDVRBJDKRLSPH-UHFFFAOYSA-N 0 3 245.153 3.421 20 0 BGADHN CC(C)CNCc1ccnc(Cl)c1Cl ZINC000290940248 167009801 /nfs/dbraw/zinc/00/98/01/167009801.db2.gz TXFAYDIXKGYTSE-UHFFFAOYSA-N 0 3 233.142 3.134 20 0 BGADHN CC1(NCc2ccnc(Cl)c2Cl)CCC1 ZINC000290947400 168064324 /nfs/dbraw/zinc/06/43/24/168064324.db2.gz UQRBFOBMNKVUEH-UHFFFAOYSA-N 0 3 245.153 3.421 20 0 BGADHN Clc1nccc(CNCC2CCC2)c1Cl ZINC000290961399 385069841 /nfs/dbraw/zinc/06/98/41/385069841.db2.gz WGQXLLCPTVIQID-UHFFFAOYSA-N 0 3 245.153 3.278 20 0 BGADHN CCCC[C@@H](C)N(C)Cc1ccc(COC)o1 ZINC000291014684 352254180 /nfs/dbraw/zinc/25/41/80/352254180.db2.gz XEJRXZXRFSTUBC-GFCCVEGCSA-N 0 3 239.359 3.437 20 0 BGADHN CCCC[C@H](C)N(C)Cc1ccc(COC)o1 ZINC000291014685 352254498 /nfs/dbraw/zinc/25/44/98/352254498.db2.gz XEJRXZXRFSTUBC-LBPRGKRZSA-N 0 3 239.359 3.437 20 0 BGADHN CCN(Cc1cc(Cl)cs1)C[C@@H](C)OC ZINC000291040242 352257000 /nfs/dbraw/zinc/25/70/00/352257000.db2.gz GLMHBEXLYIJNJR-SECBINFHSA-N 0 3 247.791 3.258 20 0 BGADHN CCN(Cc1cc(Cl)cs1)C[C@H](C)OC ZINC000291040244 352257144 /nfs/dbraw/zinc/25/71/44/352257144.db2.gz GLMHBEXLYIJNJR-VIFPVBQESA-N 0 3 247.791 3.258 20 0 BGADHN CCN(Cc1scnc1C)CC(C)(C)C ZINC000291041397 352257111 /nfs/dbraw/zinc/25/71/11/352257111.db2.gz GPRJTYNNTBNOTR-UHFFFAOYSA-N 0 3 226.389 3.320 20 0 BGADHN CCN(Cc1cncs1)CC(C)(C)C ZINC000291056408 352258264 /nfs/dbraw/zinc/25/82/64/352258264.db2.gz JIJNWCGVBTZYSC-UHFFFAOYSA-N 0 3 212.362 3.011 20 0 BGADHN CO[C@](C)(CN[C@H]1CCCc2occc21)C1CC1 ZINC000291067732 385185880 /nfs/dbraw/zinc/18/58/80/385185880.db2.gz AUIGVJFFYCXCIS-DZGCQCFKSA-N 0 3 249.354 3.062 20 0 BGADHN CO[C@@](C)(CN[C@@H]1CCCc2occc21)C1CC1 ZINC000291067734 385182932 /nfs/dbraw/zinc/18/29/32/385182932.db2.gz AUIGVJFFYCXCIS-HIFRSBDPSA-N 0 3 249.354 3.062 20 0 BGADHN CO[C@](C)(CN[C@@H]1CCCc2occc21)C1CC1 ZINC000291067735 385185267 /nfs/dbraw/zinc/18/52/67/385185267.db2.gz AUIGVJFFYCXCIS-UKRRQHHQSA-N 0 3 249.354 3.062 20 0 BGADHN CO[C@@](C)(CN[C@H]1CCCc2occc21)C1CC1 ZINC000291067736 385183071 /nfs/dbraw/zinc/18/30/71/385183071.db2.gz AUIGVJFFYCXCIS-ZFWWWQNUSA-N 0 3 249.354 3.062 20 0 BGADHN CC1=CCN([C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000291073049 168116764 /nfs/dbraw/zinc/11/67/64/168116764.db2.gz FLZZLYWTCICOLL-HUUCEWRRSA-N 0 3 213.324 3.195 20 0 BGADHN CCN(Cc1cnc(C)s1)CC(C)(C)C ZINC000291074831 352259865 /nfs/dbraw/zinc/25/98/65/352259865.db2.gz MHQGGKJVDPVFTG-UHFFFAOYSA-N 0 3 226.389 3.320 20 0 BGADHN CCN(Cc1cncc(F)c1)CC(C)(C)C ZINC000291104493 352261534 /nfs/dbraw/zinc/26/15/34/352261534.db2.gz RXFDALQZOXZSPP-UHFFFAOYSA-N 0 3 224.323 3.089 20 0 BGADHN CCN(Cc1ccc(COC)o1)CC(C)(C)C ZINC000291116668 352261889 /nfs/dbraw/zinc/26/18/89/352261889.db2.gz UGFXWBIFZGWKCC-UHFFFAOYSA-N 0 3 239.359 3.294 20 0 BGADHN CCN(Cc1ncccc1C)CC(C)(C)C ZINC000291119675 352262280 /nfs/dbraw/zinc/26/22/80/352262280.db2.gz USKILKBNJWMMFU-UHFFFAOYSA-N 0 3 220.360 3.258 20 0 BGADHN CN1CCC(Nc2cccc(C3CCC3)c2)CC1 ZINC000291132025 386515775 /nfs/dbraw/zinc/51/57/75/386515775.db2.gz GXSOBELLTZHYNK-UHFFFAOYSA-N 0 3 244.382 3.460 20 0 BGADHN CCN(Cc1cncc(C)c1)CC(C)(C)C ZINC000291141058 352263298 /nfs/dbraw/zinc/26/32/98/352263298.db2.gz CUERIVKMDOATEH-UHFFFAOYSA-N 0 3 220.360 3.258 20 0 BGADHN CCCCCCNCc1cn(C)nc1C(F)F ZINC000291143576 386515247 /nfs/dbraw/zinc/51/52/47/386515247.db2.gz GIVRQLSMVFURQJ-UHFFFAOYSA-N 0 3 245.317 3.028 20 0 BGADHN CO[C@](C)(CN[C@H](C)c1ccc(C)o1)C1CC1 ZINC000291148921 174911235 /nfs/dbraw/zinc/91/12/35/174911235.db2.gz IFHXCAKQRYNIJA-BXUZGUMPSA-N 0 3 237.343 3.054 20 0 BGADHN CO[C@@](C)(CN[C@@H](C)c1ccc(C)o1)C1CC1 ZINC000291148924 385240515 /nfs/dbraw/zinc/24/05/15/385240515.db2.gz IFHXCAKQRYNIJA-FZMZJTMJSA-N 0 3 237.343 3.054 20 0 BGADHN CO[C@@](C)(CN[C@H](C)c1ccc(C)o1)C1CC1 ZINC000291148927 385239645 /nfs/dbraw/zinc/23/96/45/385239645.db2.gz IFHXCAKQRYNIJA-RISCZKNCSA-N 0 3 237.343 3.054 20 0 BGADHN CO[C@](C)(CN[C@@H](C)c1ccc(C)o1)C1CC1 ZINC000291148932 385240472 /nfs/dbraw/zinc/24/04/72/385240472.db2.gz IFHXCAKQRYNIJA-SMDDNHRTSA-N 0 3 237.343 3.054 20 0 BGADHN CC(C)N(C/C=C/c1ccccc1)[C@H]1CCOC1 ZINC000291159807 386518846 /nfs/dbraw/zinc/51/88/46/386518846.db2.gz CGZZQOFAPMLMKJ-FSNWXROXSA-N 0 3 245.366 3.199 20 0 BGADHN CC(C)N(C/C=C/c1ccccc1)[C@@H]1CCOC1 ZINC000291159808 187348440 /nfs/dbraw/zinc/34/84/40/187348440.db2.gz CGZZQOFAPMLMKJ-YXMGTMDOSA-N 0 3 245.366 3.199 20 0 BGADHN CCN(C[C@@H]1CCCO1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000291182048 386521534 /nfs/dbraw/zinc/52/15/34/386521534.db2.gz OIFXJYFCOGIZDZ-ARFHVFGLSA-N 0 3 245.366 3.043 20 0 BGADHN COc1ccc(F)cc1CN[C@@H]1CC=CCC1 ZINC000291317104 175129473 /nfs/dbraw/zinc/12/94/73/175129473.db2.gz YLEKPTITBVWTTR-CYBMUJFWSA-N 0 3 235.302 3.033 20 0 BGADHN COc1ccc(F)cc1CN[C@H]1CC=CCC1 ZINC000291317107 175129769 /nfs/dbraw/zinc/12/97/69/175129769.db2.gz YLEKPTITBVWTTR-ZDUSSCGKSA-N 0 3 235.302 3.033 20 0 BGADHN CCN(Cc1ccc(F)cn1)CC(C)(C)C ZINC000291334781 352272343 /nfs/dbraw/zinc/27/23/43/352272343.db2.gz WCIDDXNCJDSQQY-UHFFFAOYSA-N 0 3 224.323 3.089 20 0 BGADHN CC1(C)CN(Cc2cccc(O)c2)[C@H]1C1CC1 ZINC000291463021 352276845 /nfs/dbraw/zinc/27/68/45/352276845.db2.gz DGRBZNLXDHZYGM-AWEZNQCLSA-N 0 3 231.339 3.013 20 0 BGADHN CC1(C)CN(Cc2cccc(O)c2)[C@@H]1C1CC1 ZINC000291463026 352276823 /nfs/dbraw/zinc/27/68/23/352276823.db2.gz DGRBZNLXDHZYGM-CQSZACIVSA-N 0 3 231.339 3.013 20 0 BGADHN Cc1ccc(CN2CC3(CCC3)[C@@H]2C2CC2)o1 ZINC000291469524 386548721 /nfs/dbraw/zinc/54/87/21/386548721.db2.gz DSFYNDRCWDXWJZ-AWEZNQCLSA-N 0 3 231.339 3.353 20 0 BGADHN Cc1ccc(CN2CC3(CCC3)[C@H]2C2CC2)o1 ZINC000291469526 386548015 /nfs/dbraw/zinc/54/80/15/386548015.db2.gz DSFYNDRCWDXWJZ-CQSZACIVSA-N 0 3 231.339 3.353 20 0 BGADHN Cc1ccncc1CN1CC(C)(C)[C@@H]1C1CC1 ZINC000291506174 386552605 /nfs/dbraw/zinc/55/26/05/386552605.db2.gz HVDYRDPXSSKUBL-AWEZNQCLSA-N 0 3 230.355 3.010 20 0 BGADHN Cc1ccncc1CN1CC(C)(C)[C@H]1C1CC1 ZINC000291506175 386551248 /nfs/dbraw/zinc/55/12/48/386551248.db2.gz HVDYRDPXSSKUBL-CQSZACIVSA-N 0 3 230.355 3.010 20 0 BGADHN Oc1cccc(CN2CC3(CCC3)[C@@H]2C2CC2)c1 ZINC000291540986 183288460 /nfs/dbraw/zinc/28/84/60/183288460.db2.gz LGRVKROAFAHEPW-HNNXBMFYSA-N 0 3 243.350 3.157 20 0 BGADHN Oc1cccc(CN2CC3(CCC3)[C@H]2C2CC2)c1 ZINC000291540989 183287929 /nfs/dbraw/zinc/28/79/29/183287929.db2.gz LGRVKROAFAHEPW-OAHLLOKOSA-N 0 3 243.350 3.157 20 0 BGADHN c1coc(CN2CC3(CCC3)[C@H]2C2CC2)c1 ZINC000291549025 398094087 /nfs/dbraw/zinc/09/40/87/398094087.db2.gz MACDHBXUGYYIMD-CYBMUJFWSA-N 0 3 217.312 3.044 20 0 BGADHN c1coc(CN2CC3(CCC3)[C@@H]2C2CC2)c1 ZINC000291549034 398094008 /nfs/dbraw/zinc/09/40/08/398094008.db2.gz MACDHBXUGYYIMD-ZDUSSCGKSA-N 0 3 217.312 3.044 20 0 BGADHN Cc1ccoc1CN1CC2(CCC2)[C@@H]1C1CC1 ZINC000291609599 398097218 /nfs/dbraw/zinc/09/72/18/398097218.db2.gz QZFWBFAEBICPCI-AWEZNQCLSA-N 0 3 231.339 3.353 20 0 BGADHN Cc1ccoc1CN1CC2(CCC2)[C@H]1C1CC1 ZINC000291609607 398097165 /nfs/dbraw/zinc/09/71/65/398097165.db2.gz QZFWBFAEBICPCI-CQSZACIVSA-N 0 3 231.339 3.353 20 0 BGADHN COCC(C)(C)CNCc1sccc1Cl ZINC000291628783 174074386 /nfs/dbraw/zinc/07/43/86/174074386.db2.gz AJAPXRDDSFRLRL-UHFFFAOYSA-N 0 3 247.791 3.164 20 0 BGADHN Cc1ccncc1CN1CC2(CCC2)[C@@H]1C1CC1 ZINC000291629011 386560050 /nfs/dbraw/zinc/56/00/50/386560050.db2.gz SEHZJKWMXQAJOF-HNNXBMFYSA-N 0 3 242.366 3.155 20 0 BGADHN Cc1ccncc1CN1CC2(CCC2)[C@H]1C1CC1 ZINC000291629018 386560633 /nfs/dbraw/zinc/56/06/33/386560633.db2.gz SEHZJKWMXQAJOF-OAHLLOKOSA-N 0 3 242.366 3.155 20 0 BGADHN Fc1cccc(F)c1CNCC1CC(F)(F)C1 ZINC000291676156 181000726 /nfs/dbraw/zinc/00/07/26/181000726.db2.gz HCIUZIXCGZWEMZ-UHFFFAOYSA-N 0 3 247.235 3.100 20 0 BGADHN Fc1cccc(CNCC2CC(F)(F)C2)c1F ZINC000291719900 385903151 /nfs/dbraw/zinc/90/31/51/385903151.db2.gz MJDDHUPASPVXDN-UHFFFAOYSA-N 0 3 247.235 3.100 20 0 BGADHN CCCc1nc(C)c(CNC[C@@H]2CC=CCC2)o1 ZINC000291724172 386574449 /nfs/dbraw/zinc/57/44/49/386574449.db2.gz NASUNLQBLFJGOQ-CYBMUJFWSA-N 0 3 248.370 3.381 20 0 BGADHN CCCc1nc(C)c(CNC[C@H]2CC=CCC2)o1 ZINC000291724175 386573459 /nfs/dbraw/zinc/57/34/59/386573459.db2.gz NASUNLQBLFJGOQ-ZDUSSCGKSA-N 0 3 248.370 3.381 20 0 BGADHN COCC(C)(C)CN[C@H](C)c1ccccc1F ZINC000291774252 174076334 /nfs/dbraw/zinc/07/63/34/174076334.db2.gz UCOGJAFYBQSQBT-LLVKDONJSA-N 0 3 239.334 3.149 20 0 BGADHN COCC(C)(C)CN[C@@H](C)c1ccccc1F ZINC000291774254 174075235 /nfs/dbraw/zinc/07/52/35/174075235.db2.gz UCOGJAFYBQSQBT-NSHDSACASA-N 0 3 239.334 3.149 20 0 BGADHN Fc1ccc(F)c(CNCC2CC(F)(F)C2)c1 ZINC000291807866 385725141 /nfs/dbraw/zinc/72/51/41/385725141.db2.gz XXGUCEDLUHUEOA-UHFFFAOYSA-N 0 3 247.235 3.100 20 0 BGADHN CCC(CC)(CNCc1ccsc1)OC ZINC000291816008 168325838 /nfs/dbraw/zinc/32/58/38/168325838.db2.gz YUEFDXXGWDYJPC-UHFFFAOYSA-N 0 3 227.373 3.043 20 0 BGADHN FC1(F)CC(CNCc2ccccc2Cl)C1 ZINC000291824434 385734785 /nfs/dbraw/zinc/73/47/85/385734785.db2.gz ZLJGBEPACMXIHQ-UHFFFAOYSA-N 0 3 245.700 3.475 20 0 BGADHN CCSc1cccc(CNCc2cc[nH]c2)c1 ZINC000291826419 386589167 /nfs/dbraw/zinc/58/91/67/386589167.db2.gz ZSALLBSEHYEUMU-UHFFFAOYSA-N 0 3 246.379 3.417 20 0 BGADHN COCC(C)(C)N(C)C/C=C/c1ccccc1 ZINC000292042419 174077795 /nfs/dbraw/zinc/07/77/95/174077795.db2.gz ARJHTHHAQFDABU-DHZHZOJOSA-N 0 3 233.355 3.057 20 0 BGADHN CSCCNC(C)(C)c1ccccc1F ZINC000292069137 387247636 /nfs/dbraw/zinc/24/76/36/387247636.db2.gz DIBBYIIKZFITBX-UHFFFAOYSA-N 0 3 227.348 3.013 20 0 BGADHN COCC(C)(C)N(C)Cc1cc2ccccc2o1 ZINC000292130023 174078419 /nfs/dbraw/zinc/07/84/19/174078419.db2.gz IJRCHYZYVFNDNX-UHFFFAOYSA-N 0 3 247.338 3.290 20 0 BGADHN CC(C)(NCCCF)c1ccccc1F ZINC000292183482 387398085 /nfs/dbraw/zinc/39/80/85/387398085.db2.gz QTDRIIXSGOGYTR-UHFFFAOYSA-N 0 3 213.271 3.010 20 0 BGADHN CCCCN(CCCC)Cc1cc(C)ncn1 ZINC000292193450 386632077 /nfs/dbraw/zinc/63/20/77/386632077.db2.gz OENXYVFMJOCNII-UHFFFAOYSA-N 0 3 235.375 3.187 20 0 BGADHN c1ncc(CN(C2CCC2)C2CCC2)s1 ZINC000292222716 398102582 /nfs/dbraw/zinc/10/25/82/398102582.db2.gz AIHJIWFGWXACLZ-UHFFFAOYSA-N 0 3 222.357 3.050 20 0 BGADHN CC(C)O[C@@H](CN(C)C1CC1)c1ccccc1 ZINC000292245455 167280598 /nfs/dbraw/zinc/28/05/98/167280598.db2.gz UAQSHUGRRBOQCW-HNNXBMFYSA-N 0 3 233.355 3.247 20 0 BGADHN CC(C)O[C@H](CN(C)C1CC1)c1ccccc1 ZINC000292245458 167283366 /nfs/dbraw/zinc/28/33/66/167283366.db2.gz UAQSHUGRRBOQCW-OAHLLOKOSA-N 0 3 233.355 3.247 20 0 BGADHN CCC(CC)CN(CC)Cc1cc(C)ncn1 ZINC000292257597 168349583 /nfs/dbraw/zinc/34/95/83/168349583.db2.gz VGXAJZSVACMKLB-UHFFFAOYSA-N 0 3 235.375 3.043 20 0 BGADHN CC(C)OCCNC(C)(C)c1ccccc1F ZINC000292261128 167242149 /nfs/dbraw/zinc/24/21/49/167242149.db2.gz YQEHUFJFXFIZES-UHFFFAOYSA-N 0 3 239.334 3.075 20 0 BGADHN CC[C@H]1CCN1Cc1cnc2ccccc2c1 ZINC000292276850 386644601 /nfs/dbraw/zinc/64/46/01/386644601.db2.gz BNBKICODBVWLRO-AWEZNQCLSA-N 0 3 226.323 3.219 20 0 BGADHN CC[C@@H]1CCN1Cc1cnc2ccccc2c1 ZINC000292276853 171024729 /nfs/dbraw/zinc/02/47/29/171024729.db2.gz BNBKICODBVWLRO-CQSZACIVSA-N 0 3 226.323 3.219 20 0 BGADHN CCCCCN(Cc1cc(C)ncn1)C(C)C ZINC000292278017 386643028 /nfs/dbraw/zinc/64/30/28/386643028.db2.gz XOUMWPZTPOJJIT-UHFFFAOYSA-N 0 3 235.375 3.186 20 0 BGADHN Cc1cc(CN2CCC[C@H](C(C)C)CC2)ncn1 ZINC000292316151 386649125 /nfs/dbraw/zinc/64/91/25/386649125.db2.gz BDAYBOMGXONTSL-AWEZNQCLSA-N 0 3 247.386 3.043 20 0 BGADHN Cc1cc(CN2CCC[C@@H](C(C)C)CC2)ncn1 ZINC000292316156 386651394 /nfs/dbraw/zinc/65/13/94/386651394.db2.gz BDAYBOMGXONTSL-CQSZACIVSA-N 0 3 247.386 3.043 20 0 BGADHN CC(C)c1ccc(CN2CC[C@H](O)C[C@@H]2C)cc1 ZINC000292322877 386650768 /nfs/dbraw/zinc/65/07/68/386650768.db2.gz FOJNECPWANDDCI-BBRMVZONSA-N 0 3 247.382 3.155 20 0 BGADHN CC[C@@H]1CCN1Cc1cccc(OC(F)F)c1 ZINC000292322887 171024266 /nfs/dbraw/zinc/02/42/66/171024266.db2.gz FOONHVVCTRAXLM-LLVKDONJSA-N 0 3 241.281 3.272 20 0 BGADHN CC[C@H]1CCN1Cc1cccc(OC(F)F)c1 ZINC000292322892 386649785 /nfs/dbraw/zinc/64/97/85/386649785.db2.gz FOONHVVCTRAXLM-NSHDSACASA-N 0 3 241.281 3.272 20 0 BGADHN CCC[C@@]1(C)CCCN(Cc2cc(C)ncn2)C1 ZINC000292324601 386649496 /nfs/dbraw/zinc/64/94/96/386649496.db2.gz BRBHANQGZVSMCQ-HNNXBMFYSA-N 0 3 247.386 3.187 20 0 BGADHN CCC[C@]1(C)CCCN(Cc2cc(C)ncn2)C1 ZINC000292324605 386649604 /nfs/dbraw/zinc/64/96/04/386649604.db2.gz BRBHANQGZVSMCQ-OAHLLOKOSA-N 0 3 247.386 3.187 20 0 BGADHN Cc1ccoc1CN(C)CCCCCF ZINC000292343696 386653159 /nfs/dbraw/zinc/65/31/59/386653159.db2.gz PINYCYWUUGMYNH-UHFFFAOYSA-N 0 3 213.296 3.160 20 0 BGADHN CCC1CCC(N(C)Cc2cc(C)ncn2)CC1 ZINC000292357715 386655980 /nfs/dbraw/zinc/65/59/80/386655980.db2.gz FKIFKLYEAZXHDQ-UHFFFAOYSA-N 0 3 247.386 3.186 20 0 BGADHN CC[C@@H](C)[C@@H]1CCCCN1Cc1cc(C)ncn1 ZINC000292358955 386655339 /nfs/dbraw/zinc/65/53/39/386655339.db2.gz FLAZTBXXCSCRTN-DOMZBBRYSA-N 0 3 247.386 3.186 20 0 BGADHN CC[C@@H](C)[C@H]1CCCCN1Cc1cc(C)ncn1 ZINC000292358958 386657251 /nfs/dbraw/zinc/65/72/51/386657251.db2.gz FLAZTBXXCSCRTN-IUODEOHRSA-N 0 3 247.386 3.186 20 0 BGADHN CC[C@H](C)[C@H]1CCCCN1Cc1cc(C)ncn1 ZINC000292358962 386656120 /nfs/dbraw/zinc/65/61/20/386656120.db2.gz FLAZTBXXCSCRTN-SWLSCSKDSA-N 0 3 247.386 3.186 20 0 BGADHN CC[C@H](C)[C@@H]1CCCCN1Cc1cc(C)ncn1 ZINC000292358966 171381767 /nfs/dbraw/zinc/38/17/67/171381767.db2.gz FLAZTBXXCSCRTN-WFASDCNBSA-N 0 3 247.386 3.186 20 0 BGADHN CC[C@H]1CCN1Cc1ccc2ncccc2c1 ZINC000292388454 386663097 /nfs/dbraw/zinc/66/30/97/386663097.db2.gz KFQCTDQEJXBBCS-AWEZNQCLSA-N 0 3 226.323 3.219 20 0 BGADHN CC[C@@H]1CCN1Cc1ccc2ncccc2c1 ZINC000292388456 171023587 /nfs/dbraw/zinc/02/35/87/171023587.db2.gz KFQCTDQEJXBBCS-CQSZACIVSA-N 0 3 226.323 3.219 20 0 BGADHN C[C@@H]1CN(CCCCF)Cc2ccccc2O1 ZINC000292395404 176288171 /nfs/dbraw/zinc/28/81/71/176288171.db2.gz KTCIFSBAABIXNI-GFCCVEGCSA-N 0 3 237.318 3.019 20 0 BGADHN C[C@H]1CN(CCCCF)Cc2ccccc2O1 ZINC000292395405 177247939 /nfs/dbraw/zinc/24/79/39/177247939.db2.gz KTCIFSBAABIXNI-LBPRGKRZSA-N 0 3 237.318 3.019 20 0 BGADHN COCC(C)(C)N(C)Cc1ccc(Cl)s1 ZINC000292413505 174078473 /nfs/dbraw/zinc/07/84/73/174078473.db2.gz USOGUSSKWGFNHW-UHFFFAOYSA-N 0 3 247.791 3.258 20 0 BGADHN CC[C@H](C)[C@H](C)N(Cc1cc(C)ncn1)C1CC1 ZINC000292437661 171386287 /nfs/dbraw/zinc/38/62/87/171386287.db2.gz MVEBBEIPJFELDZ-AAEUAGOBSA-N 0 3 247.386 3.184 20 0 BGADHN CC[C@@H](C)[C@@H](C)N(Cc1cc(C)ncn1)C1CC1 ZINC000292437663 386671708 /nfs/dbraw/zinc/67/17/08/386671708.db2.gz MVEBBEIPJFELDZ-DGCLKSJQSA-N 0 3 247.386 3.184 20 0 BGADHN CC[C@H](C)[C@@H](C)N(Cc1cc(C)ncn1)C1CC1 ZINC000292437667 171361668 /nfs/dbraw/zinc/36/16/68/171361668.db2.gz MVEBBEIPJFELDZ-WCQYABFASA-N 0 3 247.386 3.184 20 0 BGADHN CC[C@@H](C)[C@H](C)N(Cc1cc(C)ncn1)C1CC1 ZINC000292437669 386671731 /nfs/dbraw/zinc/67/17/31/386671731.db2.gz MVEBBEIPJFELDZ-YPMHNXCESA-N 0 3 247.386 3.184 20 0 BGADHN Cc1ccoc1CN(C)[C@@H]1C=CCCC1 ZINC000292438752 386671923 /nfs/dbraw/zinc/67/19/23/386671923.db2.gz WTTHLKLYARCORT-GFCCVEGCSA-N 0 3 205.301 3.129 20 0 BGADHN Cc1ccoc1CN(C)[C@H]1C=CCCC1 ZINC000292438753 386671158 /nfs/dbraw/zinc/67/11/58/386671158.db2.gz WTTHLKLYARCORT-LBPRGKRZSA-N 0 3 205.301 3.129 20 0 BGADHN Fc1cncc(CN(C2CCC2)C2CCC2)c1 ZINC000292446563 181019832 /nfs/dbraw/zinc/01/98/32/181019832.db2.gz OZWKCMVUDJNGAP-UHFFFAOYSA-N 0 3 234.318 3.128 20 0 BGADHN Cc1cc(CN(C)C2CCC(C)(C)CC2)ncn1 ZINC000292514756 386683030 /nfs/dbraw/zinc/68/30/30/386683030.db2.gz NQXPCWNGQPMQAL-UHFFFAOYSA-N 0 3 247.386 3.186 20 0 BGADHN Cc1cc(CN(C)C2CCCCCCC2)ncn1 ZINC000292519791 386682145 /nfs/dbraw/zinc/68/21/45/386682145.db2.gz ODAJEQMKBRUHJS-UHFFFAOYSA-N 0 3 247.386 3.330 20 0 BGADHN Cc1cc(CN2CCC[C@@H](CC(C)C)C2)ncn1 ZINC000292523460 386686199 /nfs/dbraw/zinc/68/61/99/386686199.db2.gz OJOPXPUYNKQVEU-AWEZNQCLSA-N 0 3 247.386 3.043 20 0 BGADHN Cc1cc(CN2CCC[C@H](CC(C)C)C2)ncn1 ZINC000292523471 386684109 /nfs/dbraw/zinc/68/41/09/386684109.db2.gz OJOPXPUYNKQVEU-CQSZACIVSA-N 0 3 247.386 3.043 20 0 BGADHN Cc1cc(CN2CCC(C(C)(C)C)CC2)ncn1 ZINC000292580375 386691948 /nfs/dbraw/zinc/69/19/48/386691948.db2.gz UGZJUCQZBBRLJP-UHFFFAOYSA-N 0 3 247.386 3.043 20 0 BGADHN Cc1cc(CN2CCC[C@H]2CCC(C)C)ncn1 ZINC000292582432 386692736 /nfs/dbraw/zinc/69/27/36/386692736.db2.gz UKVBYEFNJBSYQT-HNNXBMFYSA-N 0 3 247.386 3.186 20 0 BGADHN Cc1cc(CN2CCC[C@@H]2CCC(C)C)ncn1 ZINC000292582434 386692830 /nfs/dbraw/zinc/69/28/30/386692830.db2.gz UKVBYEFNJBSYQT-OAHLLOKOSA-N 0 3 247.386 3.186 20 0 BGADHN COc1ccncc1CN[C@H]1CC(C)(C)C[C@@H]1C ZINC000292593797 175373602 /nfs/dbraw/zinc/37/36/02/175373602.db2.gz GSHPBYVBLZKVBU-AAEUAGOBSA-N 0 3 248.370 3.005 20 0 BGADHN COc1ccncc1CN[C@@H]1CC(C)(C)C[C@H]1C ZINC000292593800 175372065 /nfs/dbraw/zinc/37/20/65/175372065.db2.gz GSHPBYVBLZKVBU-DGCLKSJQSA-N 0 3 248.370 3.005 20 0 BGADHN COc1ccncc1CN[C@@H]1CC(C)(C)C[C@@H]1C ZINC000292593804 175371962 /nfs/dbraw/zinc/37/19/62/175371962.db2.gz GSHPBYVBLZKVBU-WCQYABFASA-N 0 3 248.370 3.005 20 0 BGADHN COc1ccncc1CN[C@H]1CC(C)(C)C[C@H]1C ZINC000292593808 175372719 /nfs/dbraw/zinc/37/27/19/175372719.db2.gz GSHPBYVBLZKVBU-YPMHNXCESA-N 0 3 248.370 3.005 20 0 BGADHN Fc1ccc([C@H]2C[C@H](NCc3ccco3)C2)cc1 ZINC000292631544 386699167 /nfs/dbraw/zinc/69/91/67/386699167.db2.gz JQWREMGOWPVMIS-MQMHXKEQSA-N 0 3 245.297 3.455 20 0 BGADHN C[C@H](CN(C)Cc1cnccn1)C1CCCCC1 ZINC000292679699 386710189 /nfs/dbraw/zinc/71/01/89/386710189.db2.gz BSHZCFDDQAICGU-CYBMUJFWSA-N 0 3 247.386 3.125 20 0 BGADHN C[C@@H](CN(C)Cc1cnccn1)C1CCCCC1 ZINC000292679702 386710268 /nfs/dbraw/zinc/71/02/68/386710268.db2.gz BSHZCFDDQAICGU-ZDUSSCGKSA-N 0 3 247.386 3.125 20 0 BGADHN CC[C@H]1CCN1Cc1cnc(-c2ccccc2)[nH]1 ZINC000292682006 386710766 /nfs/dbraw/zinc/71/07/66/386710766.db2.gz ATHXILSDQOQLHV-AWEZNQCLSA-N 0 3 241.338 3.061 20 0 BGADHN CC[C@@H]1CCN1Cc1cnc(-c2ccccc2)[nH]1 ZINC000292682010 171023793 /nfs/dbraw/zinc/02/37/93/171023793.db2.gz ATHXILSDQOQLHV-CQSZACIVSA-N 0 3 241.338 3.061 20 0 BGADHN CCc1nc(C(C)C)ccc1CN(C)C1CC1 ZINC000292686542 386709934 /nfs/dbraw/zinc/70/99/34/386709934.db2.gz AEDRMWHUPHKGDP-UHFFFAOYSA-N 0 3 232.371 3.362 20 0 BGADHN CCCN(C)Cc1ccc(C(C)C)nc1C ZINC000292696629 169080196 /nfs/dbraw/zinc/08/01/96/169080196.db2.gz AGYOPFWQKSMHFI-UHFFFAOYSA-N 0 3 220.360 3.355 20 0 BGADHN COCC(C)(C)N(C)Cc1cc(Cl)cs1 ZINC000292705799 174077271 /nfs/dbraw/zinc/07/72/71/174077271.db2.gz CTHGTCZVAFPBQC-UHFFFAOYSA-N 0 3 247.791 3.258 20 0 BGADHN CC[C@H]1CCN1Cc1c[nH]nc1-c1ccccc1 ZINC000292705919 411470679 /nfs/dbraw/zinc/47/06/79/411470679.db2.gz CVAVLUZZXVCDDM-AWEZNQCLSA-N 0 3 241.338 3.061 20 0 BGADHN CC[C@@H]1CCN1Cc1c[nH]nc1-c1ccccc1 ZINC000292705921 171024564 /nfs/dbraw/zinc/02/45/64/171024564.db2.gz CVAVLUZZXVCDDM-CQSZACIVSA-N 0 3 241.338 3.061 20 0 BGADHN CO[C@@H](CNc1ccnc2ccccc21)C1CC1 ZINC000292717318 398210399 /nfs/dbraw/zinc/21/03/99/398210399.db2.gz HDIZSGVPLWTMEO-HNNXBMFYSA-N 0 3 242.322 3.072 20 0 BGADHN CO[C@H](CNc1ccnc2ccccc21)C1CC1 ZINC000292717322 398210468 /nfs/dbraw/zinc/21/04/68/398210468.db2.gz HDIZSGVPLWTMEO-OAHLLOKOSA-N 0 3 242.322 3.072 20 0 BGADHN CC(C)[C@@H]1N(Cc2cccnc2)CC12CCC2 ZINC000292722244 187349651 /nfs/dbraw/zinc/34/96/51/187349651.db2.gz FMKWAJYESPJFQJ-AWEZNQCLSA-N 0 3 230.355 3.092 20 0 BGADHN CC(C)[C@H]1N(Cc2cccnc2)CC12CCC2 ZINC000292722247 386715303 /nfs/dbraw/zinc/71/53/03/386715303.db2.gz FMKWAJYESPJFQJ-CQSZACIVSA-N 0 3 230.355 3.092 20 0 BGADHN Cc1ccoc1CN[C@@H]1CS[C@H](C(C)C)C1 ZINC000292725439 386081906 /nfs/dbraw/zinc/08/19/06/386081906.db2.gz FSFDNMRTZODQNV-AAEUAGOBSA-N 0 3 239.384 3.208 20 0 BGADHN Cc1ccoc1CN[C@H]1CS[C@@H](C(C)C)C1 ZINC000292725446 386083252 /nfs/dbraw/zinc/08/32/52/386083252.db2.gz FSFDNMRTZODQNV-DGCLKSJQSA-N 0 3 239.384 3.208 20 0 BGADHN Cc1ccoc1CN[C@@H]1CS[C@@H](C(C)C)C1 ZINC000292725449 386081478 /nfs/dbraw/zinc/08/14/78/386081478.db2.gz FSFDNMRTZODQNV-WCQYABFASA-N 0 3 239.384 3.208 20 0 BGADHN Cc1ccoc1CN[C@H]1CS[C@H](C(C)C)C1 ZINC000292725454 386082923 /nfs/dbraw/zinc/08/29/23/386082923.db2.gz FSFDNMRTZODQNV-YPMHNXCESA-N 0 3 239.384 3.208 20 0 BGADHN Cc1nc(C(C)C)ccc1CN(C)C1CCC1 ZINC000292729487 179895103 /nfs/dbraw/zinc/89/51/03/179895103.db2.gz GMWPCKNNAZTBPU-UHFFFAOYSA-N 0 3 232.371 3.498 20 0 BGADHN CC(C)[C@@H]1N(Cc2cccn2C)CC12CCC2 ZINC000292731352 386716927 /nfs/dbraw/zinc/71/69/27/386716927.db2.gz GGURQIOJLXKMBI-AWEZNQCLSA-N 0 3 232.371 3.036 20 0 BGADHN CC(C)[C@H]1N(Cc2cccn2C)CC12CCC2 ZINC000292731357 386716573 /nfs/dbraw/zinc/71/65/73/386716573.db2.gz GGURQIOJLXKMBI-CQSZACIVSA-N 0 3 232.371 3.036 20 0 BGADHN CCOCC(C)(C)NCc1cc2ccccc2o1 ZINC000292739177 170354681 /nfs/dbraw/zinc/35/46/81/170354681.db2.gz AHEQCAIITAIJOZ-UHFFFAOYSA-N 0 3 247.338 3.338 20 0 BGADHN C[C@]12CCN(Cc3ccsc3)C[C@H]1C2(F)F ZINC000292740915 177483812 /nfs/dbraw/zinc/48/38/12/177483812.db2.gz HKJXRYVBKNJKPU-MNOVXSKESA-N 0 3 243.322 3.225 20 0 BGADHN C[C@@]12CCN(Cc3ccsc3)C[C@@H]1C2(F)F ZINC000292740919 386716251 /nfs/dbraw/zinc/71/62/51/386716251.db2.gz HKJXRYVBKNJKPU-WDEREUQCSA-N 0 3 243.322 3.225 20 0 BGADHN Cc1ccc(CN(C2CCC2)C2CCC2)o1 ZINC000292751248 386721022 /nfs/dbraw/zinc/72/10/22/386721022.db2.gz IMDOHBBIEHCYBW-UHFFFAOYSA-N 0 3 219.328 3.495 20 0 BGADHN Cc1ccoc1CNCCCc1cnccc1C ZINC000292752945 386721532 /nfs/dbraw/zinc/72/15/32/386721532.db2.gz IRDRTBYWZUZVOV-UHFFFAOYSA-N 0 3 244.338 3.014 20 0 BGADHN CC[C@@H]1CCN1C/C=C/c1ccccc1OC ZINC000292763075 171021919 /nfs/dbraw/zinc/02/19/19/171021919.db2.gz JRAYJEDGVDRRNX-IZPAUZPXSA-N 0 3 231.339 3.193 20 0 BGADHN CC[C@H]1CCN1C/C=C/c1ccccc1OC ZINC000292763080 386720569 /nfs/dbraw/zinc/72/05/69/386720569.db2.gz JRAYJEDGVDRRNX-OWNNVSBGSA-N 0 3 231.339 3.193 20 0 BGADHN CSCSCCN(C)Cc1ccccc1 ZINC000292766595 386720769 /nfs/dbraw/zinc/72/07/69/386720769.db2.gz XCEAOADANSLUDX-UHFFFAOYSA-N 0 3 241.425 3.172 20 0 BGADHN Cc1cc(CN2CCC[C@@H](C(C)(C)C)C2)ncn1 ZINC000292767063 386722193 /nfs/dbraw/zinc/72/21/93/386722193.db2.gz IOBKZVZVQHTKNI-CYBMUJFWSA-N 0 3 247.386 3.043 20 0 BGADHN Cc1cc(CN2CCC[C@H](C(C)(C)C)C2)ncn1 ZINC000292767068 386721758 /nfs/dbraw/zinc/72/17/58/386721758.db2.gz IOBKZVZVQHTKNI-ZDUSSCGKSA-N 0 3 247.386 3.043 20 0 BGADHN Cc1cc(CN(C)[C@H](C)C2CCCCC2)ncn1 ZINC000292769135 386723510 /nfs/dbraw/zinc/72/35/10/386723510.db2.gz IRCSIHSSUDDLJZ-CYBMUJFWSA-N 0 3 247.386 3.186 20 0 BGADHN Cc1cc(CN(C)[C@@H](C)C2CCCCC2)ncn1 ZINC000292769137 386725124 /nfs/dbraw/zinc/72/51/24/386725124.db2.gz IRCSIHSSUDDLJZ-ZDUSSCGKSA-N 0 3 247.386 3.186 20 0 BGADHN Cc1ccc([O-])c(C[NH+](C2CCC2)C2CCC2)n1 ZINC000292779405 386723154 /nfs/dbraw/zinc/72/31/54/386723154.db2.gz LILBIEDIASMUFE-UHFFFAOYSA-N 0 3 246.354 3.003 20 0 BGADHN CCOC1(C)CCN(Cc2ccsc2)CC1 ZINC000292783999 170318791 /nfs/dbraw/zinc/31/87/91/170318791.db2.gz LQRRRHVRYKMMOL-UHFFFAOYSA-N 0 3 239.384 3.139 20 0 BGADHN CC(C)(NC[C@H]1CCC=CO1)c1ccccc1F ZINC000292793282 386726473 /nfs/dbraw/zinc/72/64/73/386726473.db2.gz MSRIPUOAODCOHM-GFCCVEGCSA-N 0 3 249.329 3.343 20 0 BGADHN CC(C)(NC[C@@H]1CCC=CO1)c1ccccc1F ZINC000292793284 188391080 /nfs/dbraw/zinc/39/10/80/188391080.db2.gz MSRIPUOAODCOHM-LBPRGKRZSA-N 0 3 249.329 3.343 20 0 BGADHN CC(C)[C@@H]1N(Cc2ccccn2)CC12CCC2 ZINC000292798841 386728121 /nfs/dbraw/zinc/72/81/21/386728121.db2.gz NIFIZWWPLGCGMX-AWEZNQCLSA-N 0 3 230.355 3.092 20 0 BGADHN CC(C)[C@H]1N(Cc2ccccn2)CC12CCC2 ZINC000292798843 386727896 /nfs/dbraw/zinc/72/78/96/386727896.db2.gz NIFIZWWPLGCGMX-CQSZACIVSA-N 0 3 230.355 3.092 20 0 BGADHN CSC[C@@H]1CCCN(Cc2ccc(C)o2)C1 ZINC000292807075 386730034 /nfs/dbraw/zinc/73/00/34/386730034.db2.gz OGHGUHUJUVTUFM-GFCCVEGCSA-N 0 3 239.384 3.163 20 0 BGADHN CSC[C@H]1CCCN(Cc2ccc(C)o2)C1 ZINC000292807076 386730619 /nfs/dbraw/zinc/73/06/19/386730619.db2.gz OGHGUHUJUVTUFM-LBPRGKRZSA-N 0 3 239.384 3.163 20 0 BGADHN CSC[C@@H]1CCCN(Cc2occc2C)C1 ZINC000292807139 386730173 /nfs/dbraw/zinc/73/01/73/386730173.db2.gz OGZHZZCYYXDWDX-GFCCVEGCSA-N 0 3 239.384 3.163 20 0 BGADHN CSC[C@H]1CCCN(Cc2occc2C)C1 ZINC000292807142 386729888 /nfs/dbraw/zinc/72/98/88/386729888.db2.gz OGZHZZCYYXDWDX-LBPRGKRZSA-N 0 3 239.384 3.163 20 0 BGADHN COCc1ccc(CN(C2CCC2)C2CCC2)o1 ZINC000292812829 398109087 /nfs/dbraw/zinc/10/90/87/398109087.db2.gz OYFIIZCEJFLWNA-UHFFFAOYSA-N 0 3 249.354 3.333 20 0 BGADHN Cc1cc(CN2CCC(C)(C(C)C)CC2)ncn1 ZINC000292813209 398109686 /nfs/dbraw/zinc/10/96/86/398109686.db2.gz LPQLFCFMUDBEJF-UHFFFAOYSA-N 0 3 247.386 3.043 20 0 BGADHN Cc1ccccc1C(C)(C)NCc1ccncc1 ZINC000292823323 179255763 /nfs/dbraw/zinc/25/57/63/179255763.db2.gz AADVGPDKDNLMHK-UHFFFAOYSA-N 0 3 240.350 3.415 20 0 BGADHN CSC1(CN(C)Cc2occc2C)CCC1 ZINC000292824632 386732958 /nfs/dbraw/zinc/73/29/58/386732958.db2.gz QJAVQPBALFDLKS-UHFFFAOYSA-N 0 3 239.384 3.306 20 0 BGADHN CC1(CN(Cc2ccccn2)C2CC2)CCC1 ZINC000292828760 168023450 /nfs/dbraw/zinc/02/34/50/168023450.db2.gz DMFROPREBDTAMI-UHFFFAOYSA-N 0 3 230.355 3.236 20 0 BGADHN CC(C)[C@@H]1N(Cc2ccncc2)CC12CCC2 ZINC000292828783 386732691 /nfs/dbraw/zinc/73/26/91/386732691.db2.gz QWGPUIFODLPDFN-AWEZNQCLSA-N 0 3 230.355 3.092 20 0 BGADHN CC(C)[C@H]1N(Cc2ccncc2)CC12CCC2 ZINC000292828789 386732095 /nfs/dbraw/zinc/73/20/95/386732095.db2.gz QWGPUIFODLPDFN-CQSZACIVSA-N 0 3 230.355 3.092 20 0 BGADHN c1coc(CN(C2CCC2)C2CCC2)c1 ZINC000292828982 386731588 /nfs/dbraw/zinc/73/15/88/386731588.db2.gz QXZKBKRQXWSXTO-UHFFFAOYSA-N 0 3 205.301 3.187 20 0 BGADHN Cc1nc(F)ccc1CN(C1CCC1)C1CCC1 ZINC000292829082 386733132 /nfs/dbraw/zinc/73/31/32/386733132.db2.gz QYWCFIXOLVBEFF-UHFFFAOYSA-N 0 3 248.345 3.436 20 0 BGADHN FC1(F)CCCC[C@H]1CNCc1ccco1 ZINC000292832622 387182325 /nfs/dbraw/zinc/18/23/25/387182325.db2.gz YXABJSXKCVRWFY-JTQLQIEISA-N 0 3 229.270 3.195 20 0 BGADHN FC1(F)CCCC[C@@H]1CNCc1ccco1 ZINC000292832623 387182584 /nfs/dbraw/zinc/18/25/84/387182584.db2.gz YXABJSXKCVRWFY-SNVBAGLBSA-N 0 3 229.270 3.195 20 0 BGADHN Cc1ccncc1CN1CC2(CCC2)[C@@H]1C(C)C ZINC000292835573 386731747 /nfs/dbraw/zinc/73/17/47/386731747.db2.gz RRAIHWLVOFXANJ-HNNXBMFYSA-N 0 3 244.382 3.401 20 0 BGADHN Cc1ccncc1CN1CC2(CCC2)[C@H]1C(C)C ZINC000292835586 386732042 /nfs/dbraw/zinc/73/20/42/386732042.db2.gz RRAIHWLVOFXANJ-OAHLLOKOSA-N 0 3 244.382 3.401 20 0 BGADHN CCOC1(CNCc2occc2C)CCCC1 ZINC000292837303 170319447 /nfs/dbraw/zinc/31/94/47/170319447.db2.gz AXRBSRLTBPGDFB-UHFFFAOYSA-N 0 3 237.343 3.027 20 0 BGADHN CCC[C@@]1(NCc2ccsc2C)CCOC1 ZINC000292842083 387200849 /nfs/dbraw/zinc/20/08/49/387200849.db2.gz BESAJKIRULLLQN-CYBMUJFWSA-N 0 3 239.384 3.105 20 0 BGADHN CCC[C@]1(NCc2ccsc2C)CCOC1 ZINC000292842086 387200792 /nfs/dbraw/zinc/20/07/92/387200792.db2.gz BESAJKIRULLLQN-ZDUSSCGKSA-N 0 3 239.384 3.105 20 0 BGADHN COc1ccsc1CNC1(C(C)C)CC1 ZINC000292852837 175378822 /nfs/dbraw/zinc/37/88/22/175378822.db2.gz ACKRUOGMQXOAJS-UHFFFAOYSA-N 0 3 225.357 3.035 20 0 BGADHN CSC[C@@H]1CCCN(Cc2ccsc2)C1 ZINC000292861274 386738255 /nfs/dbraw/zinc/73/82/55/386738255.db2.gz VJEXXBFSLGZVKA-LLVKDONJSA-N 0 3 241.425 3.323 20 0 BGADHN CSC[C@H]1CCCN(Cc2ccsc2)C1 ZINC000292861279 386739898 /nfs/dbraw/zinc/73/98/98/386739898.db2.gz VJEXXBFSLGZVKA-NSHDSACASA-N 0 3 241.425 3.323 20 0 BGADHN Cc1ccoc1CN1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000292871286 386738888 /nfs/dbraw/zinc/73/88/88/386738888.db2.gz WNCPHWQFIHBVJF-NEPJUHHUSA-N 0 3 241.281 3.065 20 0 BGADHN Cc1ccoc1CN1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000292871297 386740301 /nfs/dbraw/zinc/74/03/01/386740301.db2.gz WNCPHWQFIHBVJF-NWDGAFQWSA-N 0 3 241.281 3.065 20 0 BGADHN Cc1cccc(CN(C)CC2=CCCOC2)c1C ZINC000292879029 179062909 /nfs/dbraw/zinc/06/29/09/179062909.db2.gz XJBLDKMSXKHHGS-UHFFFAOYSA-N 0 3 245.366 3.082 20 0 BGADHN CC[C@H](N[C@@H](C)c1ccccc1F)C(C)(C)O ZINC000292880126 387233937 /nfs/dbraw/zinc/23/39/37/387233937.db2.gz CARLINUFFVEEPX-GWCFXTLKSA-N 0 3 239.334 3.026 20 0 BGADHN CC[C@@H](N[C@@H](C)c1ccccc1F)C(C)(C)O ZINC000292880130 359316806 /nfs/dbraw/zinc/31/68/06/359316806.db2.gz CARLINUFFVEEPX-GXFFZTMASA-N 0 3 239.334 3.026 20 0 BGADHN CC[C@H](N[C@H](C)c1ccccc1F)C(C)(C)O ZINC000292880136 387235255 /nfs/dbraw/zinc/23/52/55/387235255.db2.gz CARLINUFFVEEPX-MFKMUULPSA-N 0 3 239.334 3.026 20 0 BGADHN CC[C@@H](N[C@H](C)c1ccccc1F)C(C)(C)O ZINC000292880141 359316905 /nfs/dbraw/zinc/31/69/05/359316905.db2.gz CARLINUFFVEEPX-ZWNOBZJWSA-N 0 3 239.334 3.026 20 0 BGADHN CC[C@H](NCc1cc2ccccc2o1)C(C)(C)O ZINC000292884323 387248560 /nfs/dbraw/zinc/24/85/60/387248560.db2.gz CHAZFTLJMULJQU-AWEZNQCLSA-N 0 3 247.338 3.072 20 0 BGADHN CC[C@@H](NCc1cc2ccccc2o1)C(C)(C)O ZINC000292884329 359320427 /nfs/dbraw/zinc/32/04/27/359320427.db2.gz CHAZFTLJMULJQU-CQSZACIVSA-N 0 3 247.338 3.072 20 0 BGADHN CC(C)CN1CC(C)(C)[C@H]1c1cccnc1 ZINC000292888430 352332130 /nfs/dbraw/zinc/33/21/30/352332130.db2.gz YPFJRZKFRDPKMG-CYBMUJFWSA-N 0 3 218.344 3.121 20 0 BGADHN CC(C)CN1CC(C)(C)[C@@H]1c1cccnc1 ZINC000292888432 352332187 /nfs/dbraw/zinc/33/21/87/352332187.db2.gz YPFJRZKFRDPKMG-ZDUSSCGKSA-N 0 3 218.344 3.121 20 0 BGADHN CCOc1cc(CN2CC[C@H]2CC)ccc1OC ZINC000292897948 386746247 /nfs/dbraw/zinc/74/62/47/386746247.db2.gz ZQROWEUBXCDEGZ-CYBMUJFWSA-N 0 3 249.354 3.078 20 0 BGADHN CCOc1cc(CN2CC[C@@H]2CC)ccc1OC ZINC000292897958 386746638 /nfs/dbraw/zinc/74/66/38/386746638.db2.gz ZQROWEUBXCDEGZ-ZDUSSCGKSA-N 0 3 249.354 3.078 20 0 BGADHN CCOCC(C)(C)NCc1ccc(F)c(C)c1 ZINC000292901136 170355043 /nfs/dbraw/zinc/35/50/43/170355043.db2.gz GOTJHHMODMPJST-UHFFFAOYSA-N 0 3 239.334 3.039 20 0 BGADHN CC(C)NCc1ccc(Sc2ccccn2)o1 ZINC000292904776 167119965 /nfs/dbraw/zinc/11/99/65/167119965.db2.gz FOLAVFMOEHNQFX-UHFFFAOYSA-N 0 3 248.351 3.324 20 0 BGADHN COCC[C@@H](NCC1(C)CCC1)c1ccco1 ZINC000292911078 174394092 /nfs/dbraw/zinc/39/40/92/174394092.db2.gz KTFJRYHZAVLFNL-GFCCVEGCSA-N 0 3 237.343 3.137 20 0 BGADHN COCC[C@H](NCC1(C)CCC1)c1ccco1 ZINC000292911080 386747480 /nfs/dbraw/zinc/74/74/80/386747480.db2.gz KTFJRYHZAVLFNL-LBPRGKRZSA-N 0 3 237.343 3.137 20 0 BGADHN Cc1ccccc1C(C)(C)NCc1cncs1 ZINC000292931567 179255691 /nfs/dbraw/zinc/25/56/91/179255691.db2.gz GYALXASHGLAQLT-UHFFFAOYSA-N 0 3 246.379 3.476 20 0 BGADHN CCOCC(C)(C)NCc1cc(C)sc1C ZINC000292939667 170354498 /nfs/dbraw/zinc/35/44/98/170354498.db2.gz CCEXDGDTSJRRSU-UHFFFAOYSA-N 0 3 241.400 3.270 20 0 BGADHN Cc1n[nH]cc1CNC(C)(C)c1ccccc1C ZINC000292946501 179255125 /nfs/dbraw/zinc/25/51/25/179255125.db2.gz IIFGTWRCHIUYLN-UHFFFAOYSA-N 0 3 243.354 3.051 20 0 BGADHN Cc1ccccc1C(C)(C)NCc1cc[nH]c1 ZINC000292947714 179255138 /nfs/dbraw/zinc/25/51/38/179255138.db2.gz IJPKOZROWHZOEH-UHFFFAOYSA-N 0 3 228.339 3.348 20 0 BGADHN CC1(C)CN(Cc2ccc(F)cn2)[C@H]2CCC[C@@H]21 ZINC000292964240 352335040 /nfs/dbraw/zinc/33/50/40/352335040.db2.gz FXXCZFPFSVBRJQ-KBPBESRZSA-N 0 3 248.345 3.231 20 0 BGADHN CC1(C)CN(Cc2ccc(F)cn2)[C@H]2CCC[C@H]21 ZINC000292964242 352334913 /nfs/dbraw/zinc/33/49/13/352334913.db2.gz FXXCZFPFSVBRJQ-KGLIPLIRSA-N 0 3 248.345 3.231 20 0 BGADHN CC1(C)CN(Cc2ccc(F)cn2)[C@@H]2CCC[C@@H]21 ZINC000292964246 352334766 /nfs/dbraw/zinc/33/47/66/352334766.db2.gz FXXCZFPFSVBRJQ-UONOGXRCSA-N 0 3 248.345 3.231 20 0 BGADHN CC1(C)CN(Cc2ccc(F)cn2)[C@@H]2CCC[C@H]21 ZINC000292964248 352334853 /nfs/dbraw/zinc/33/48/53/352334853.db2.gz FXXCZFPFSVBRJQ-ZIAGYGMSSA-N 0 3 248.345 3.231 20 0 BGADHN Cc1sccc1CNCCSC(C)C ZINC000292975062 387339024 /nfs/dbraw/zinc/33/90/24/387339024.db2.gz MOZPMGHDKBIVHQ-UHFFFAOYSA-N 0 3 229.414 3.288 20 0 BGADHN Cc1ccccc1C(C)(C)NCc1cccn1C ZINC000292977643 179255970 /nfs/dbraw/zinc/25/59/70/179255970.db2.gz KUKIFXUGBWDCRH-UHFFFAOYSA-N 0 3 242.366 3.358 20 0 BGADHN CC1(CN(Cc2cccnc2)C2CC2)CCC1 ZINC000292990833 168023677 /nfs/dbraw/zinc/02/36/77/168023677.db2.gz RYZCFNHVRFAJRH-UHFFFAOYSA-N 0 3 230.355 3.236 20 0 BGADHN CC[C@H](NCc1sccc1Cl)C(C)(C)O ZINC000292991808 398135673 /nfs/dbraw/zinc/13/56/73/398135673.db2.gz MFUFGYQPAPRURY-JTQLQIEISA-N 0 3 247.791 3.041 20 0 BGADHN CC[C@@H](NCc1sccc1Cl)C(C)(C)O ZINC000292991810 359400696 /nfs/dbraw/zinc/40/06/96/359400696.db2.gz MFUFGYQPAPRURY-SNVBAGLBSA-N 0 3 247.791 3.041 20 0 BGADHN CCOCC(C)(C)NCc1cc(C)ccc1F ZINC000293004452 170355062 /nfs/dbraw/zinc/35/50/62/170355062.db2.gz PDOUBUFHQRAMNB-UHFFFAOYSA-N 0 3 239.334 3.039 20 0 BGADHN CCOC1(CNCc2ccsc2)CCCC1 ZINC000293006017 170318550 /nfs/dbraw/zinc/31/85/50/170318550.db2.gz PHKUUUVNXWOTEU-UHFFFAOYSA-N 0 3 239.384 3.187 20 0 BGADHN C[C@H](c1ccccn1)N(C)CC1(C)CCC1 ZINC000293009698 177043137 /nfs/dbraw/zinc/04/31/37/177043137.db2.gz UJBMSKSAXOEPDX-GFCCVEGCSA-N 0 3 218.344 3.265 20 0 BGADHN C[C@@H](c1ccccn1)N(C)CC1(C)CCC1 ZINC000293009701 176026309 /nfs/dbraw/zinc/02/63/09/176026309.db2.gz UJBMSKSAXOEPDX-LBPRGKRZSA-N 0 3 218.344 3.265 20 0 BGADHN C[C@@H]1CN(Cc2cccc3cccnc32)[C@H]1C ZINC000293017459 386765641 /nfs/dbraw/zinc/76/56/41/386765641.db2.gz ONYIPODDYVXELU-NEPJUHHUSA-N 0 3 226.323 3.075 20 0 BGADHN C[C@@H]1[C@@H](C)CN1Cc1cccc2cccnc21 ZINC000293017461 177265536 /nfs/dbraw/zinc/26/55/36/177265536.db2.gz ONYIPODDYVXELU-NWDGAFQWSA-N 0 3 226.323 3.075 20 0 BGADHN C[C@H]1CN(Cc2cccc3cccnc32)[C@H]1C ZINC000293017464 177265494 /nfs/dbraw/zinc/26/54/94/177265494.db2.gz ONYIPODDYVXELU-RYUDHWBXSA-N 0 3 226.323 3.075 20 0 BGADHN C[C@@H]1CN(Cc2cccc3cccnc32)[C@@H]1C ZINC000293017466 176305444 /nfs/dbraw/zinc/30/54/44/176305444.db2.gz ONYIPODDYVXELU-VXGBXAGGSA-N 0 3 226.323 3.075 20 0 BGADHN CCOCC(C)(C)NC/C=C/c1ccccc1 ZINC000293020923 170353989 /nfs/dbraw/zinc/35/39/89/170353989.db2.gz QSNLGOKBLIETAC-DHZHZOJOSA-N 0 3 233.355 3.105 20 0 BGADHN CCOCC(C)(C)NCc1ccc(C)c(F)c1 ZINC000293027813 170355000 /nfs/dbraw/zinc/35/50/00/170355000.db2.gz RHIRCQURUFZILM-UHFFFAOYSA-N 0 3 239.334 3.039 20 0 BGADHN Cc1nc(CNC2(C(C)C)CC2)sc1C ZINC000293037303 386768543 /nfs/dbraw/zinc/76/85/43/386768543.db2.gz QIEXTGANAMAWFX-UHFFFAOYSA-N 0 3 224.373 3.038 20 0 BGADHN CC(C)C1(N[C@@H](C)c2cncc(F)c2)CC1 ZINC000293042147 387820987 /nfs/dbraw/zinc/82/09/87/387820987.db2.gz QWOMWWFUZMULAP-JTQLQIEISA-N 0 3 222.307 3.060 20 0 BGADHN CC(C)C1(N[C@H](C)c2cncc(F)c2)CC1 ZINC000293043456 387143362 /nfs/dbraw/zinc/14/33/62/387143362.db2.gz QWOMWWFUZMULAP-SNVBAGLBSA-N 0 3 222.307 3.060 20 0 BGADHN CCC[C@H]1[C@H](C)CCCN1Cc1cc(C)ncn1 ZINC000293044662 386771159 /nfs/dbraw/zinc/77/11/59/386771159.db2.gz FHHXYDCNFBJXNW-DOMZBBRYSA-N 0 3 247.386 3.186 20 0 BGADHN CCC[C@@H]1[C@H](C)CCCN1Cc1cc(C)ncn1 ZINC000293044671 386770873 /nfs/dbraw/zinc/77/08/73/386770873.db2.gz FHHXYDCNFBJXNW-IUODEOHRSA-N 0 3 247.386 3.186 20 0 BGADHN CCC[C@@H]1[C@@H](C)CCCN1Cc1cc(C)ncn1 ZINC000293044680 386770288 /nfs/dbraw/zinc/77/02/88/386770288.db2.gz FHHXYDCNFBJXNW-SWLSCSKDSA-N 0 3 247.386 3.186 20 0 BGADHN CCC[C@H]1[C@@H](C)CCCN1Cc1cc(C)ncn1 ZINC000293044689 386770519 /nfs/dbraw/zinc/77/05/19/386770519.db2.gz FHHXYDCNFBJXNW-WFASDCNBSA-N 0 3 247.386 3.186 20 0 BGADHN Cc1ccccc1C(C)(C)NCc1ccn(C)c1 ZINC000293045223 179255342 /nfs/dbraw/zinc/25/53/42/179255342.db2.gz QZRCSKRZVLWWRK-UHFFFAOYSA-N 0 3 242.366 3.358 20 0 BGADHN Cc1cnc([C@H](C)NCC2(C)CCC2)s1 ZINC000293069228 179652806 /nfs/dbraw/zinc/65/28/06/179652806.db2.gz ZLRMFXSLEFTPCO-JTQLQIEISA-N 0 3 224.373 3.292 20 0 BGADHN Cc1cnc([C@@H](C)NCC2(C)CCC2)s1 ZINC000293069233 388387050 /nfs/dbraw/zinc/38/70/50/388387050.db2.gz ZLRMFXSLEFTPCO-SNVBAGLBSA-N 0 3 224.373 3.292 20 0 BGADHN CCOCC(C)(C)NCc1cc(Cl)cs1 ZINC000293099409 170355085 /nfs/dbraw/zinc/35/50/85/170355085.db2.gz XPPQIKPLGSVRJC-UHFFFAOYSA-N 0 3 247.791 3.306 20 0 BGADHN FC[C@@H]1CCCN1Cc1cccc2cccnc21 ZINC000293123718 386779954 /nfs/dbraw/zinc/77/99/54/386779954.db2.gz RRNQZBLJWUCHNO-AWEZNQCLSA-N 0 3 244.313 3.169 20 0 BGADHN FC[C@H]1CCCN1Cc1cccc2cccnc21 ZINC000293123724 386779498 /nfs/dbraw/zinc/77/94/98/386779498.db2.gz RRNQZBLJWUCHNO-CQSZACIVSA-N 0 3 244.313 3.169 20 0 BGADHN Cc1ccccc1C(C)(C)NCc1cccnc1 ZINC000293130267 179255892 /nfs/dbraw/zinc/25/58/92/179255892.db2.gz ZTMFBXGPJMBVQB-UHFFFAOYSA-N 0 3 240.350 3.415 20 0 BGADHN CCOCC(C)(C)NCc1cccc(Cl)c1 ZINC000293143897 170354852 /nfs/dbraw/zinc/35/48/52/170354852.db2.gz DEHKXVXWTKRLAA-UHFFFAOYSA-N 0 3 241.762 3.245 20 0 BGADHN CC1(C)CN(Cc2cncc(F)c2)[C@H]2CCC[C@@H]21 ZINC000293145226 398113067 /nfs/dbraw/zinc/11/30/67/398113067.db2.gz TXZGTKDEFYQRFC-KBPBESRZSA-N 0 3 248.345 3.231 20 0 BGADHN CC1(C)CN(Cc2cncc(F)c2)[C@H]2CCC[C@H]21 ZINC000293145230 398113125 /nfs/dbraw/zinc/11/31/25/398113125.db2.gz TXZGTKDEFYQRFC-KGLIPLIRSA-N 0 3 248.345 3.231 20 0 BGADHN CC1(C)CN(Cc2cncc(F)c2)[C@@H]2CCC[C@@H]21 ZINC000293145234 398113062 /nfs/dbraw/zinc/11/30/62/398113062.db2.gz TXZGTKDEFYQRFC-UONOGXRCSA-N 0 3 248.345 3.231 20 0 BGADHN CC1(C)CN(Cc2cncc(F)c2)[C@@H]2CCC[C@H]21 ZINC000293145240 398112893 /nfs/dbraw/zinc/11/28/93/398112893.db2.gz TXZGTKDEFYQRFC-ZIAGYGMSSA-N 0 3 248.345 3.231 20 0 BGADHN Cc1nocc1CN[C@H]1C[C@H](c2ccccc2)C1 ZINC000293146695 398113586 /nfs/dbraw/zinc/11/35/86/398113586.db2.gz DJXQURDQMGEYOE-CTYIDZIISA-N 0 3 242.322 3.019 20 0 BGADHN C[C@@H]1CN(Cc2ccc(C(F)F)cc2)[C@@H]1C ZINC000293147929 176302753 /nfs/dbraw/zinc/30/27/53/176302753.db2.gz URYTXYSCYLAMNG-NXEZZACHSA-N 0 3 225.282 3.464 20 0 BGADHN C[C@H]1CN(Cc2ccc(C(F)F)cc2)[C@H]1C ZINC000293147935 177262260 /nfs/dbraw/zinc/26/22/60/177262260.db2.gz URYTXYSCYLAMNG-UWVGGRQHSA-N 0 3 225.282 3.464 20 0 BGADHN C[C@@H]1[C@@H](C)CN1Cc1ccc(C(F)F)cc1 ZINC000293147939 177262089 /nfs/dbraw/zinc/26/20/89/177262089.db2.gz URYTXYSCYLAMNG-VHSXEESVSA-N 0 3 225.282 3.464 20 0 BGADHN C[C@@H]1CN(Cc2ccc(C(F)F)cc2)[C@H]1C ZINC000293147944 386783197 /nfs/dbraw/zinc/78/31/97/386783197.db2.gz URYTXYSCYLAMNG-ZJUUUORDSA-N 0 3 225.282 3.464 20 0 BGADHN CCOCC(C)(C)NCc1ccccc1Cl ZINC000293148318 170355207 /nfs/dbraw/zinc/35/52/07/170355207.db2.gz DMXBMIMZLKIAOL-UHFFFAOYSA-N 0 3 241.762 3.245 20 0 BGADHN CCOCC(C)(C)NCc1ccc(Cl)cc1 ZINC000293180321 170354642 /nfs/dbraw/zinc/35/46/42/170354642.db2.gz HCBDXXMSDUDGLJ-UHFFFAOYSA-N 0 3 241.762 3.245 20 0 BGADHN CC(C)C1(NCc2cccnc2Cl)CC1 ZINC000293205024 386764020 /nfs/dbraw/zinc/76/40/20/386764020.db2.gz XXNDFGYHIOQOOJ-UHFFFAOYSA-N 0 3 224.735 3.013 20 0 BGADHN CCC1(CC)CCN(Cc2cc(C)ncn2)CC1 ZINC000293207191 386788641 /nfs/dbraw/zinc/78/86/41/386788641.db2.gz PFJKEQDECLIPFH-UHFFFAOYSA-N 0 3 247.386 3.187 20 0 BGADHN Cc1sccc1CNc1cccc(N(C)C)n1 ZINC000293210400 386788457 /nfs/dbraw/zinc/78/84/57/386788457.db2.gz JILRXGWWQGLUID-UHFFFAOYSA-N 0 3 247.367 3.130 20 0 BGADHN C[C@@H]1CN(Cc2cnc3ccccc3c2)[C@H]1C ZINC000293210529 386788120 /nfs/dbraw/zinc/78/81/20/386788120.db2.gz YEDQLUVQZZQUKB-NEPJUHHUSA-N 0 3 226.323 3.075 20 0 BGADHN C[C@@H]1[C@@H](C)CN1Cc1cnc2ccccc2c1 ZINC000293210533 177269566 /nfs/dbraw/zinc/26/95/66/177269566.db2.gz YEDQLUVQZZQUKB-NWDGAFQWSA-N 0 3 226.323 3.075 20 0 BGADHN C[C@H]1CN(Cc2cnc3ccccc3c2)[C@H]1C ZINC000293210537 177269174 /nfs/dbraw/zinc/26/91/74/177269174.db2.gz YEDQLUVQZZQUKB-RYUDHWBXSA-N 0 3 226.323 3.075 20 0 BGADHN C[C@@H]1CN(Cc2cnc3ccccc3c2)[C@@H]1C ZINC000293210540 176310889 /nfs/dbraw/zinc/31/08/89/176310889.db2.gz YEDQLUVQZZQUKB-VXGBXAGGSA-N 0 3 226.323 3.075 20 0 BGADHN Cc1cn[nH]c1CNC(C)(C)c1ccccc1C ZINC000293217148 179255841 /nfs/dbraw/zinc/25/58/41/179255841.db2.gz YLEGOCWNPGPOAL-UHFFFAOYSA-N 0 3 243.354 3.051 20 0 BGADHN Cc1sccc1CN[C@H]1CSC1(C)C ZINC000293237916 398257604 /nfs/dbraw/zinc/25/76/04/398257604.db2.gz LAVOYWZBHKQETH-JTQLQIEISA-N 0 3 227.398 3.040 20 0 BGADHN Cc1sccc1CN[C@@H]1CSC1(C)C ZINC000293237918 398257573 /nfs/dbraw/zinc/25/75/73/398257573.db2.gz LAVOYWZBHKQETH-SNVBAGLBSA-N 0 3 227.398 3.040 20 0 BGADHN Cc1nocc1CNCCC1=CCCCCC1 ZINC000293251514 386793160 /nfs/dbraw/zinc/79/31/60/386793160.db2.gz MACOZQVVWLKGPL-UHFFFAOYSA-N 0 3 234.343 3.353 20 0 BGADHN Cc1ccoc1CN[C@@H]1CCC[C@@H]2C[C@@]21C ZINC000293255873 386785602 /nfs/dbraw/zinc/78/56/02/386785602.db2.gz BUJQCQHYPKKHBK-BNOWGMLFSA-N 0 3 219.328 3.256 20 0 BGADHN Cc1ccoc1CN[C@@H]1CCC[C@H]2C[C@]21C ZINC000293255879 386785287 /nfs/dbraw/zinc/78/52/87/386785287.db2.gz BUJQCQHYPKKHBK-IACUBPJLSA-N 0 3 219.328 3.256 20 0 BGADHN CCOCC(C)(C)NCc1ccc(Cl)s1 ZINC000293311579 170354814 /nfs/dbraw/zinc/35/48/14/170354814.db2.gz QHNOIICUXVLYDN-UHFFFAOYSA-N 0 3 247.791 3.306 20 0 BGADHN Cc1cc(CN2CCCC[C@H]2CC(C)C)ncn1 ZINC000293329003 386802837 /nfs/dbraw/zinc/80/28/37/386802837.db2.gz WRKJLNWGMBFNQH-HNNXBMFYSA-N 0 3 247.386 3.186 20 0 BGADHN Cc1cc(CN2CCCC[C@@H]2CC(C)C)ncn1 ZINC000293329006 386802713 /nfs/dbraw/zinc/80/27/13/386802713.db2.gz WRKJLNWGMBFNQH-OAHLLOKOSA-N 0 3 247.386 3.186 20 0 BGADHN Cc1nc(C(C)C)ccc1CN(C)CC1CC1 ZINC000293336275 386804142 /nfs/dbraw/zinc/80/41/42/386804142.db2.gz CYTXWFHSSOUBTN-UHFFFAOYSA-N 0 3 232.371 3.355 20 0 BGADHN CC[C@H](O)CN[C@@H](CCC(C)C)c1ccoc1 ZINC000293338519 386802409 /nfs/dbraw/zinc/80/24/09/386802409.db2.gz GKQDIUWUEJPCRW-KBPBESRZSA-N 0 3 239.359 3.117 20 0 BGADHN CC[C@H](O)CN[C@H](CCC(C)C)c1ccoc1 ZINC000293338522 386804375 /nfs/dbraw/zinc/80/43/75/386804375.db2.gz GKQDIUWUEJPCRW-UONOGXRCSA-N 0 3 239.359 3.117 20 0 BGADHN CCN(Cc1ccc(C(C)C)nc1C)C1CC1 ZINC000293350115 386806228 /nfs/dbraw/zinc/80/62/28/386806228.db2.gz DOMLZFAJAYLEAO-UHFFFAOYSA-N 0 3 232.371 3.498 20 0 BGADHN Cc1nc(C(C)C)ccc1CN1CCCC1 ZINC000293352404 386807298 /nfs/dbraw/zinc/80/72/98/386807298.db2.gz DRBSAIATRVGBEG-UHFFFAOYSA-N 0 3 218.344 3.109 20 0 BGADHN Cc1nc(C(C)C)ccc1CN(C)C1CC1 ZINC000293362810 386810131 /nfs/dbraw/zinc/81/01/31/386810131.db2.gz FGBSWEATQUIJCQ-UHFFFAOYSA-N 0 3 218.344 3.108 20 0 BGADHN Cc1sccc1CN[C@@H](C)[C@@H]1CCCCO1 ZINC000293367869 386835192 /nfs/dbraw/zinc/83/51/92/386835192.db2.gz VBWHZAKSZUGNPM-GWCFXTLKSA-N 0 3 239.384 3.104 20 0 BGADHN Cc1sccc1CN[C@@H](C)[C@H]1CCCCO1 ZINC000293367872 386833906 /nfs/dbraw/zinc/83/39/06/386833906.db2.gz VBWHZAKSZUGNPM-GXFFZTMASA-N 0 3 239.384 3.104 20 0 BGADHN Cc1sccc1CN[C@H](C)[C@@H]1CCCCO1 ZINC000293367873 386834919 /nfs/dbraw/zinc/83/49/19/386834919.db2.gz VBWHZAKSZUGNPM-MFKMUULPSA-N 0 3 239.384 3.104 20 0 BGADHN Cc1sccc1CN[C@H](C)[C@H]1CCCCO1 ZINC000293367876 386833313 /nfs/dbraw/zinc/83/33/13/386833313.db2.gz VBWHZAKSZUGNPM-ZWNOBZJWSA-N 0 3 239.384 3.104 20 0 BGADHN CC(C)(CCNCc1cscn1)C1CC1 ZINC000293375753 386834705 /nfs/dbraw/zinc/83/47/05/386834705.db2.gz JMGSEIMPOUHRDJ-UHFFFAOYSA-N 0 3 224.373 3.059 20 0 BGADHN CCOCC(C)(C)NCc1sccc1Cl ZINC000293390458 170355862 /nfs/dbraw/zinc/35/58/62/170355862.db2.gz WYPOXTLPOUZAGN-UHFFFAOYSA-N 0 3 247.791 3.306 20 0 BGADHN C[C@@H]1CN(Cc2ccc(OC(F)F)cc2)[C@@H]1C ZINC000293407445 176304693 /nfs/dbraw/zinc/30/46/93/176304693.db2.gz MCNMPXPNKOSCHX-NXEZZACHSA-N 0 3 241.281 3.128 20 0 BGADHN C[C@H]1CN(Cc2ccc(OC(F)F)cc2)[C@H]1C ZINC000293407450 177262882 /nfs/dbraw/zinc/26/28/82/177262882.db2.gz MCNMPXPNKOSCHX-UWVGGRQHSA-N 0 3 241.281 3.128 20 0 BGADHN C[C@@H]1[C@@H](C)CN1Cc1ccc(OC(F)F)cc1 ZINC000293407455 177263426 /nfs/dbraw/zinc/26/34/26/177263426.db2.gz MCNMPXPNKOSCHX-VHSXEESVSA-N 0 3 241.281 3.128 20 0 BGADHN C[C@@H]1CN(Cc2ccc(OC(F)F)cc2)[C@H]1C ZINC000293407459 386813351 /nfs/dbraw/zinc/81/33/51/386813351.db2.gz MCNMPXPNKOSCHX-ZJUUUORDSA-N 0 3 241.281 3.128 20 0 BGADHN Cc1nocc1CN[C@@H](C)[C@@H](C)c1ccccc1 ZINC000293424202 386815556 /nfs/dbraw/zinc/81/55/56/386815556.db2.gz ARLLBWOYONLLRO-NEPJUHHUSA-N 0 3 244.338 3.265 20 0 BGADHN Cc1nocc1CN[C@H](C)[C@H](C)c1ccccc1 ZINC000293424205 386815690 /nfs/dbraw/zinc/81/56/90/386815690.db2.gz ARLLBWOYONLLRO-NWDGAFQWSA-N 0 3 244.338 3.265 20 0 BGADHN Cc1nocc1CN[C@@H](C)[C@H](C)c1ccccc1 ZINC000293425919 386816119 /nfs/dbraw/zinc/81/61/19/386816119.db2.gz ARLLBWOYONLLRO-RYUDHWBXSA-N 0 3 244.338 3.265 20 0 BGADHN Cc1nocc1CN[C@H](C)[C@@H](C)c1ccccc1 ZINC000293425921 386816752 /nfs/dbraw/zinc/81/67/52/386816752.db2.gz ARLLBWOYONLLRO-VXGBXAGGSA-N 0 3 244.338 3.265 20 0 BGADHN Cc1cc(CN2C[C@H](C)[C@@H]2C)c2ccccc2n1 ZINC000293431313 178007852 /nfs/dbraw/zinc/00/78/52/178007852.db2.gz NWAPMSRQRGRLER-AAEUAGOBSA-N 0 3 240.350 3.383 20 0 BGADHN Cc1cc(CN2C[C@@H](C)[C@H]2C)c2ccccc2n1 ZINC000293431318 178006158 /nfs/dbraw/zinc/00/61/58/178006158.db2.gz NWAPMSRQRGRLER-DGCLKSJQSA-N 0 3 240.350 3.383 20 0 BGADHN Cc1cc(CN2C[C@H](C)[C@H]2C)c2ccccc2n1 ZINC000293431322 178007252 /nfs/dbraw/zinc/00/72/52/178007252.db2.gz NWAPMSRQRGRLER-WCQYABFASA-N 0 3 240.350 3.383 20 0 BGADHN Cc1cc(CN2C[C@@H](C)[C@@H]2C)c2ccccc2n1 ZINC000293431326 178005903 /nfs/dbraw/zinc/00/59/03/178005903.db2.gz NWAPMSRQRGRLER-YPMHNXCESA-N 0 3 240.350 3.383 20 0 BGADHN COC1(CCN(C)Cc2cccs2)CCC1 ZINC000293437158 386816678 /nfs/dbraw/zinc/81/66/78/386816678.db2.gz JSDJYRGATJGBFL-UHFFFAOYSA-N 0 3 239.384 3.139 20 0 BGADHN Cc1nc(C(C)C)ccc1CN1C[C@H](C)[C@@H]1C ZINC000293454402 386818734 /nfs/dbraw/zinc/81/87/34/386818734.db2.gz PQMXLMMUVFZMSY-AAEUAGOBSA-N 0 3 232.371 3.354 20 0 BGADHN Cc1nc(C(C)C)ccc1CN1C[C@@H](C)[C@H]1C ZINC000293454404 386819828 /nfs/dbraw/zinc/81/98/28/386819828.db2.gz PQMXLMMUVFZMSY-DGCLKSJQSA-N 0 3 232.371 3.354 20 0 BGADHN Cc1nc(C(C)C)ccc1CN1C[C@H](C)[C@H]1C ZINC000293454405 386818160 /nfs/dbraw/zinc/81/81/60/386818160.db2.gz PQMXLMMUVFZMSY-WCQYABFASA-N 0 3 232.371 3.354 20 0 BGADHN Cc1nc(C(C)C)ccc1CN1C[C@@H](C)[C@@H]1C ZINC000293454407 386820234 /nfs/dbraw/zinc/82/02/34/386820234.db2.gz PQMXLMMUVFZMSY-YPMHNXCESA-N 0 3 232.371 3.354 20 0 BGADHN Cc1nocc1CNC1CC(c2ccccc2)C1 ZINC000293464163 386822694 /nfs/dbraw/zinc/82/26/94/386822694.db2.gz DJXQURDQMGEYOE-UHFFFAOYSA-N 0 3 242.322 3.019 20 0 BGADHN CO[C@H](CNCc1ccsc1C)C(C)(C)C ZINC000293485477 388388952 /nfs/dbraw/zinc/38/89/52/388388952.db2.gz GEFRMXWEAPPNDG-GFCCVEGCSA-N 0 3 241.400 3.207 20 0 BGADHN CO[C@@H](CNCc1ccsc1C)C(C)(C)C ZINC000293485483 388389089 /nfs/dbraw/zinc/38/90/89/388389089.db2.gz GEFRMXWEAPPNDG-LBPRGKRZSA-N 0 3 241.400 3.207 20 0 BGADHN COC[C@@H]1CCN1Cc1cccc2ccccc21 ZINC000293513778 386830169 /nfs/dbraw/zinc/83/01/69/386830169.db2.gz IETWCTVOIXSIKM-HNNXBMFYSA-N 0 3 241.334 3.061 20 0 BGADHN COC[C@H]1CCN1Cc1cccc2ccccc21 ZINC000293513782 386830199 /nfs/dbraw/zinc/83/01/99/386830199.db2.gz IETWCTVOIXSIKM-OAHLLOKOSA-N 0 3 241.334 3.061 20 0 BGADHN CC1(C)CCC[C@H]1CNCc1cscn1 ZINC000293529110 350900430 /nfs/dbraw/zinc/90/04/30/350900430.db2.gz WUQGROMUZALKGE-JTQLQIEISA-N 0 3 224.373 3.059 20 0 BGADHN CC1(C)CCC[C@@H]1CNCc1cscn1 ZINC000293529111 350900351 /nfs/dbraw/zinc/90/03/51/350900351.db2.gz WUQGROMUZALKGE-SNVBAGLBSA-N 0 3 224.373 3.059 20 0 BGADHN Cc1nocc1CNC[C@H](C)c1ccc(F)cc1 ZINC000293529382 386833077 /nfs/dbraw/zinc/83/30/77/386833077.db2.gz JFMGOFHNOSTDJW-JTQLQIEISA-N 0 3 248.301 3.015 20 0 BGADHN Cc1nocc1CNC[C@@H](C)c1ccc(F)cc1 ZINC000293529386 386832727 /nfs/dbraw/zinc/83/27/27/386832727.db2.gz JFMGOFHNOSTDJW-SNVBAGLBSA-N 0 3 248.301 3.015 20 0 BGADHN CCC[C@H](CNCc1ccc(Cl)s1)OC ZINC000293548729 388389485 /nfs/dbraw/zinc/38/94/85/388389485.db2.gz BJLOZGVBPZNHPL-SECBINFHSA-N 0 3 247.791 3.306 20 0 BGADHN CCC[C@@H](CNCc1ccc(Cl)s1)OC ZINC000293548731 169384897 /nfs/dbraw/zinc/38/48/97/169384897.db2.gz BJLOZGVBPZNHPL-VIFPVBQESA-N 0 3 247.791 3.306 20 0 BGADHN COC1(C)CCN(Cc2ccsc2C)CC1 ZINC000293552952 386835226 /nfs/dbraw/zinc/83/52/26/386835226.db2.gz HFXFSTGSBRXYKO-UHFFFAOYSA-N 0 3 239.384 3.057 20 0 BGADHN CCC(C)(C)NCc1cc(OC)ccc1F ZINC000293553844 168299816 /nfs/dbraw/zinc/29/98/16/168299816.db2.gz LJQFTVALFLQQNU-UHFFFAOYSA-N 0 3 225.307 3.113 20 0 BGADHN CCC[C@H](CN[C@H](C)c1cccc(F)c1)OC ZINC000293559849 388389715 /nfs/dbraw/zinc/38/97/15/388389715.db2.gz CROLLVWGLWZHQY-BXUZGUMPSA-N 0 3 239.334 3.291 20 0 BGADHN CCC[C@@H](CN[C@@H](C)c1cccc(F)c1)OC ZINC000293559850 169385763 /nfs/dbraw/zinc/38/57/63/169385763.db2.gz CROLLVWGLWZHQY-FZMZJTMJSA-N 0 3 239.334 3.291 20 0 BGADHN CCC[C@@H](CN[C@H](C)c1cccc(F)c1)OC ZINC000293559852 169385620 /nfs/dbraw/zinc/38/56/20/169385620.db2.gz CROLLVWGLWZHQY-RISCZKNCSA-N 0 3 239.334 3.291 20 0 BGADHN CCC[C@H](CN[C@@H](C)c1cccc(F)c1)OC ZINC000293559853 388389356 /nfs/dbraw/zinc/38/93/56/388389356.db2.gz CROLLVWGLWZHQY-SMDDNHRTSA-N 0 3 239.334 3.291 20 0 BGADHN COc1ccc(F)c(CN[C@@H]2CC=CCC2)c1 ZINC000293564522 175125227 /nfs/dbraw/zinc/12/52/27/175125227.db2.gz MLIWGPKGMYOVJZ-GFCCVEGCSA-N 0 3 235.302 3.033 20 0 BGADHN COc1ccc(F)c(CN[C@H]2CC=CCC2)c1 ZINC000293564524 175125333 /nfs/dbraw/zinc/12/53/33/175125333.db2.gz MLIWGPKGMYOVJZ-LBPRGKRZSA-N 0 3 235.302 3.033 20 0 BGADHN CCC[C@@H](CN[C@H]1CCCc2occc21)OC ZINC000293565565 169385885 /nfs/dbraw/zinc/38/58/85/169385885.db2.gz DDZPPOWCESMOOO-AAEUAGOBSA-N 0 3 237.343 3.062 20 0 BGADHN CCC[C@H](CN[C@@H]1CCCc2occc21)OC ZINC000293565570 385642103 /nfs/dbraw/zinc/64/21/03/385642103.db2.gz DDZPPOWCESMOOO-DGCLKSJQSA-N 0 3 237.343 3.062 20 0 BGADHN CCC[C@@H](CN[C@@H]1CCCc2occc21)OC ZINC000293565572 169385789 /nfs/dbraw/zinc/38/57/89/169385789.db2.gz DDZPPOWCESMOOO-WCQYABFASA-N 0 3 237.343 3.062 20 0 BGADHN CCC[C@H](CN[C@H]1CCCc2occc21)OC ZINC000293565576 385642741 /nfs/dbraw/zinc/64/27/41/385642741.db2.gz DDZPPOWCESMOOO-YPMHNXCESA-N 0 3 237.343 3.062 20 0 BGADHN Cc1nocc1CNCC[C@@H](C)c1ccccc1 ZINC000293569437 385646711 /nfs/dbraw/zinc/64/67/11/385646711.db2.gz MWSADMXXDQWIMF-GFCCVEGCSA-N 0 3 244.338 3.266 20 0 BGADHN Cc1nocc1CNCC[C@H](C)c1ccccc1 ZINC000293569443 385644937 /nfs/dbraw/zinc/64/49/37/385644937.db2.gz MWSADMXXDQWIMF-LBPRGKRZSA-N 0 3 244.338 3.266 20 0 BGADHN CCC[C@H](CN[C@H](C)c1ccc(F)cc1)OC ZINC000293575733 388390831 /nfs/dbraw/zinc/39/08/31/388390831.db2.gz DXZIJTFRLZTIGR-BXUZGUMPSA-N 0 3 239.334 3.291 20 0 BGADHN CCC[C@@H](CN[C@@H](C)c1ccc(F)cc1)OC ZINC000293575736 169385534 /nfs/dbraw/zinc/38/55/34/169385534.db2.gz DXZIJTFRLZTIGR-FZMZJTMJSA-N 0 3 239.334 3.291 20 0 BGADHN CCC[C@@H](CN[C@H](C)c1ccc(F)cc1)OC ZINC000293575740 169385585 /nfs/dbraw/zinc/38/55/85/169385585.db2.gz DXZIJTFRLZTIGR-RISCZKNCSA-N 0 3 239.334 3.291 20 0 BGADHN CCC[C@H](CN[C@@H](C)c1ccc(F)cc1)OC ZINC000293575742 388389726 /nfs/dbraw/zinc/38/97/26/388389726.db2.gz DXZIJTFRLZTIGR-SMDDNHRTSA-N 0 3 239.334 3.291 20 0 BGADHN CC(C)C1(NCc2cnc(C(C)(C)C)nc2)CC1 ZINC000293589012 388390563 /nfs/dbraw/zinc/39/05/63/388390563.db2.gz IHZMAZGCXFDGBM-UHFFFAOYSA-N 0 3 247.386 3.052 20 0 BGADHN COC1(CCN(C)[C@H](C)c2ccco2)CCC1 ZINC000293623242 386848184 /nfs/dbraw/zinc/84/81/84/386848184.db2.gz WFVGTUCSOOFZFI-GFCCVEGCSA-N 0 3 237.343 3.232 20 0 BGADHN COC1(CCN(C)[C@@H](C)c2ccco2)CCC1 ZINC000293623244 386849669 /nfs/dbraw/zinc/84/96/69/386849669.db2.gz WFVGTUCSOOFZFI-LBPRGKRZSA-N 0 3 237.343 3.232 20 0 BGADHN Cc1sccc1CN(C)CCc1ccccn1 ZINC000293628682 386852855 /nfs/dbraw/zinc/85/28/55/386852855.db2.gz NADXAKJKWICUSZ-UHFFFAOYSA-N 0 3 246.379 3.126 20 0 BGADHN Cc1ccc([C@@H](C)NCC2CC(F)(F)C2)o1 ZINC000293637000 187241821 /nfs/dbraw/zinc/24/18/21/187241821.db2.gz KMZWZCDJJJMQKL-SECBINFHSA-N 0 3 229.270 3.284 20 0 BGADHN Cc1ccc([C@H](C)NCC2CC(F)(F)C2)o1 ZINC000293637003 388390170 /nfs/dbraw/zinc/39/01/70/388390170.db2.gz KMZWZCDJJJMQKL-VIFPVBQESA-N 0 3 229.270 3.284 20 0 BGADHN Cc1nocc1CNC[C@@H](C)c1ccc(C)cc1 ZINC000293637363 178883323 /nfs/dbraw/zinc/88/33/23/178883323.db2.gz RLAOTXSGNHTCNW-GFCCVEGCSA-N 0 3 244.338 3.185 20 0 BGADHN Cc1nocc1CNC[C@H](C)c1ccc(C)cc1 ZINC000293637366 386851246 /nfs/dbraw/zinc/85/12/46/386851246.db2.gz RLAOTXSGNHTCNW-LBPRGKRZSA-N 0 3 244.338 3.185 20 0 BGADHN CCC(C)(C)NCc1ncc(CSC)s1 ZINC000293637632 168298852 /nfs/dbraw/zinc/29/88/52/168298852.db2.gz ROALMSVKFTYIKS-UHFFFAOYSA-N 0 3 244.429 3.284 20 0 BGADHN Cc1sccc1CN(C)CCc1ccncc1 ZINC000293638169 386852917 /nfs/dbraw/zinc/85/29/17/386852917.db2.gz NQGYRXBYVNXQIH-UHFFFAOYSA-N 0 3 246.379 3.126 20 0 BGADHN COC[C@@H]1CCN1Cc1ccc2ccccc2c1 ZINC000293642800 386851763 /nfs/dbraw/zinc/85/17/63/386851763.db2.gz RURQFJRJGQBTJE-INIZCTEOSA-N 0 3 241.334 3.061 20 0 BGADHN COC[C@H]1CCN1Cc1ccc2ccccc2c1 ZINC000293642811 386852559 /nfs/dbraw/zinc/85/25/59/386852559.db2.gz RURQFJRJGQBTJE-MRXNPFEDSA-N 0 3 241.334 3.061 20 0 BGADHN CCC[C@@H](CN[C@H](C)c1ccc(C)o1)OC ZINC000293647940 169385697 /nfs/dbraw/zinc/38/56/97/169385697.db2.gz KHCZMRCKOHSMNH-NEPJUHHUSA-N 0 3 225.332 3.054 20 0 BGADHN CCC[C@H](CN[C@@H](C)c1ccc(C)o1)OC ZINC000293647944 388355799 /nfs/dbraw/zinc/35/57/99/388355799.db2.gz KHCZMRCKOHSMNH-NWDGAFQWSA-N 0 3 225.332 3.054 20 0 BGADHN CCC[C@@H](CN[C@@H](C)c1ccc(C)o1)OC ZINC000293647948 169385811 /nfs/dbraw/zinc/38/58/11/169385811.db2.gz KHCZMRCKOHSMNH-RYUDHWBXSA-N 0 3 225.332 3.054 20 0 BGADHN CCC[C@H](CN[C@H](C)c1ccc(C)o1)OC ZINC000293647953 388356357 /nfs/dbraw/zinc/35/63/57/388356357.db2.gz KHCZMRCKOHSMNH-VXGBXAGGSA-N 0 3 225.332 3.054 20 0 BGADHN COCC(C)(C)CN[C@H](C)c1cc(C)c(C)o1 ZINC000293649002 174076424 /nfs/dbraw/zinc/07/64/24/174076424.db2.gz LEMVDZXVBBSGNP-LLVKDONJSA-N 0 3 239.359 3.220 20 0 BGADHN COCC(C)(C)CN[C@@H](C)c1cc(C)c(C)o1 ZINC000293649009 174074590 /nfs/dbraw/zinc/07/45/90/174074590.db2.gz LEMVDZXVBBSGNP-NSHDSACASA-N 0 3 239.359 3.220 20 0 BGADHN Cc1sccc1CNCCc1ccccc1O ZINC000293654823 386854947 /nfs/dbraw/zinc/85/49/47/386854947.db2.gz SSRFFYYBVLMSBK-UHFFFAOYSA-N 0 3 247.363 3.094 20 0 BGADHN Cc1ccc([C@@H](C)NC2(C(C)C)CC2)o1 ZINC000293656659 388356876 /nfs/dbraw/zinc/35/68/76/388356876.db2.gz IGUXLIPYLSXNOH-LLVKDONJSA-N 0 3 207.317 3.427 20 0 BGADHN Cc1ccc([C@H](C)NC2(C(C)C)CC2)o1 ZINC000293656662 388357026 /nfs/dbraw/zinc/35/70/26/388357026.db2.gz IGUXLIPYLSXNOH-NSHDSACASA-N 0 3 207.317 3.427 20 0 BGADHN CCN(CC)Cc1ccc(C(C)C)nc1C ZINC000293665438 386856934 /nfs/dbraw/zinc/85/69/34/386856934.db2.gz ZBEWAHYEFRZQEV-UHFFFAOYSA-N 0 3 220.360 3.355 20 0 BGADHN Cc1nocc1CN[C@H](C)Cc1ccccc1C ZINC000293670391 179289175 /nfs/dbraw/zinc/28/91/75/179289175.db2.gz UUIFBNCMJLWGJH-GFCCVEGCSA-N 0 3 244.338 3.012 20 0 BGADHN Cc1nocc1CN[C@@H](C)Cc1ccccc1C ZINC000293670400 179290567 /nfs/dbraw/zinc/29/05/67/179290567.db2.gz UUIFBNCMJLWGJH-LBPRGKRZSA-N 0 3 244.338 3.012 20 0 BGADHN CCC[C@H](CN[C@@H](C)c1ccsc1)OC ZINC000293676784 169499685 /nfs/dbraw/zinc/49/96/85/169499685.db2.gz MWORCIBDGKDQPH-CMPLNLGQSA-N 0 3 227.373 3.214 20 0 BGADHN CCC[C@@H](CN[C@@H](C)c1ccsc1)OC ZINC000293676785 169385830 /nfs/dbraw/zinc/38/58/30/169385830.db2.gz MWORCIBDGKDQPH-JQWIXIFHSA-N 0 3 227.373 3.214 20 0 BGADHN CCC[C@@H](CN[C@H](C)c1ccsc1)OC ZINC000293676786 169385591 /nfs/dbraw/zinc/38/55/91/169385591.db2.gz MWORCIBDGKDQPH-PWSUYJOCSA-N 0 3 227.373 3.214 20 0 BGADHN CCC[C@H](CN[C@H](C)c1ccsc1)OC ZINC000293676788 388358192 /nfs/dbraw/zinc/35/81/92/388358192.db2.gz MWORCIBDGKDQPH-ZYHUDNBSSA-N 0 3 227.373 3.214 20 0 BGADHN COC1(CCN(C)[C@@H](C)c2ccncc2)CCC1 ZINC000293677868 583206956 /nfs/dbraw/zinc/20/69/56/583206956.db2.gz ARIOKQJMMPOFNL-ZDUSSCGKSA-N 0 3 248.370 3.034 20 0 BGADHN CSCc1cnc(CNCC(C)(C)C)s1 ZINC000293678165 388358066 /nfs/dbraw/zinc/35/80/66/388358066.db2.gz VIGYZVLZLUXJSZ-UHFFFAOYSA-N 0 3 244.429 3.142 20 0 BGADHN COC1(CCN(C)[C@H](C)c2ccccn2)CCC1 ZINC000293680148 398117526 /nfs/dbraw/zinc/11/75/26/398117526.db2.gz AYVITOHMDPZHIP-CYBMUJFWSA-N 0 3 248.370 3.034 20 0 BGADHN COC1(CCN(C)[C@@H](C)c2ccccn2)CCC1 ZINC000293680151 398117147 /nfs/dbraw/zinc/11/71/47/398117147.db2.gz AYVITOHMDPZHIP-ZDUSSCGKSA-N 0 3 248.370 3.034 20 0 BGADHN Cc1nc([C@@H](C)NC2(C(C)C)CC2)cs1 ZINC000293682008 180035753 /nfs/dbraw/zinc/03/57/53/180035753.db2.gz KIKVEHDKXQJWNM-SECBINFHSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1nc([C@H](C)NC2(C(C)C)CC2)cs1 ZINC000293682017 180049827 /nfs/dbraw/zinc/04/98/27/180049827.db2.gz KIKVEHDKXQJWNM-VIFPVBQESA-N 0 3 224.373 3.291 20 0 BGADHN COC1(CCN(C)[C@H](C)c2cccnc2)CCC1 ZINC000293683525 386860022 /nfs/dbraw/zinc/86/00/22/386860022.db2.gz BGTSKFKPOAOEIC-CYBMUJFWSA-N 0 3 248.370 3.034 20 0 BGADHN COC1(CCN(C)[C@@H](C)c2cccnc2)CCC1 ZINC000293683532 386860592 /nfs/dbraw/zinc/86/05/92/386860592.db2.gz BGTSKFKPOAOEIC-ZDUSSCGKSA-N 0 3 248.370 3.034 20 0 BGADHN COC1(C[C@@H](C)NCc2occc2C)CCC1 ZINC000293685902 174007901 /nfs/dbraw/zinc/00/79/01/174007901.db2.gz NLSIWCKDWJDNHO-GFCCVEGCSA-N 0 3 237.343 3.025 20 0 BGADHN COC1(C[C@H](C)NCc2occc2C)CCC1 ZINC000293685903 174008845 /nfs/dbraw/zinc/00/88/45/174008845.db2.gz NLSIWCKDWJDNHO-LBPRGKRZSA-N 0 3 237.343 3.025 20 0 BGADHN COC[C@H]1CCN1Cc1cc2ccccc2s1 ZINC000293704406 386862828 /nfs/dbraw/zinc/86/28/28/386862828.db2.gz XJYJJZYHRJVWPI-GFCCVEGCSA-N 0 3 247.363 3.122 20 0 BGADHN COC[C@@H]1CCN1Cc1cc2ccccc2s1 ZINC000293704410 386864058 /nfs/dbraw/zinc/86/40/58/386864058.db2.gz XJYJJZYHRJVWPI-LBPRGKRZSA-N 0 3 247.363 3.122 20 0 BGADHN Cc1ccnc([C@@H](C)NC2(C(C)C)CC2)c1 ZINC000293704941 388375147 /nfs/dbraw/zinc/37/51/47/388375147.db2.gz MKCXHUYGBTVPEP-GFCCVEGCSA-N 0 3 218.344 3.229 20 0 BGADHN Cc1ccnc([C@H](C)NC2(C(C)C)CC2)c1 ZINC000293704943 388375271 /nfs/dbraw/zinc/37/52/71/388375271.db2.gz MKCXHUYGBTVPEP-LBPRGKRZSA-N 0 3 218.344 3.229 20 0 BGADHN C[C@@H]1C[C@H]1c1ccc(CN[C@@H]2CCOC2(C)C)o1 ZINC000293714529 388419207 /nfs/dbraw/zinc/41/92/07/388419207.db2.gz MCUPMMQCGYFFSN-MPKXVKKWSA-N 0 3 249.354 3.060 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CN[C@H]2CCOC2(C)C)o1 ZINC000293714534 388419076 /nfs/dbraw/zinc/41/90/76/388419076.db2.gz MCUPMMQCGYFFSN-OSMZGAPFSA-N 0 3 249.354 3.060 20 0 BGADHN C[C@@H]1C[C@H]1c1ccc(CN[C@H]2CCOC2(C)C)o1 ZINC000293714538 388419373 /nfs/dbraw/zinc/41/93/73/388419373.db2.gz MCUPMMQCGYFFSN-QKCSRTOESA-N 0 3 249.354 3.060 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CN[C@@H]2CCOC2(C)C)o1 ZINC000293714545 388418958 /nfs/dbraw/zinc/41/89/58/388418958.db2.gz MCUPMMQCGYFFSN-SCDSUCTJSA-N 0 3 249.354 3.060 20 0 BGADHN CN(CCF)CCCCCOc1ccccc1 ZINC000293717566 386867008 /nfs/dbraw/zinc/86/70/08/386867008.db2.gz SXQOMWILROLQGK-UHFFFAOYSA-N 0 3 239.334 3.137 20 0 BGADHN CCOC1(CN[C@H](C)c2ccncc2)CCCC1 ZINC000293719576 170320389 /nfs/dbraw/zinc/32/03/89/170320389.db2.gz NMVDBGYAEXGWPM-CYBMUJFWSA-N 0 3 248.370 3.082 20 0 BGADHN CCOC1(CN[C@@H](C)c2ccncc2)CCCC1 ZINC000293719579 170319877 /nfs/dbraw/zinc/31/98/77/170319877.db2.gz NMVDBGYAEXGWPM-ZDUSSCGKSA-N 0 3 248.370 3.082 20 0 BGADHN COC[C@@H](C)N[C@@H](C)c1cccc(C2CC2)c1 ZINC000293724669 386869048 /nfs/dbraw/zinc/86/90/48/386869048.db2.gz MPDFCGXJWLKBBK-NEPJUHHUSA-N 0 3 233.355 3.250 20 0 BGADHN COC[C@H](C)N[C@H](C)c1cccc(C2CC2)c1 ZINC000293724671 386869166 /nfs/dbraw/zinc/86/91/66/386869166.db2.gz MPDFCGXJWLKBBK-NWDGAFQWSA-N 0 3 233.355 3.250 20 0 BGADHN COC[C@H](C)N[C@@H](C)c1cccc(C2CC2)c1 ZINC000293724675 386870100 /nfs/dbraw/zinc/87/01/00/386870100.db2.gz MPDFCGXJWLKBBK-RYUDHWBXSA-N 0 3 233.355 3.250 20 0 BGADHN COC[C@@H](C)N[C@H](C)c1cccc(C2CC2)c1 ZINC000293724677 386869873 /nfs/dbraw/zinc/86/98/73/386869873.db2.gz MPDFCGXJWLKBBK-VXGBXAGGSA-N 0 3 233.355 3.250 20 0 BGADHN CC[C@@H](Cc1ccccc1)NCc1conc1C ZINC000293737055 384580646 /nfs/dbraw/zinc/58/06/46/384580646.db2.gz ZWDRZBPPCXEVHB-HNNXBMFYSA-N 0 3 244.338 3.094 20 0 BGADHN CC[C@H](Cc1ccccc1)NCc1conc1C ZINC000293737056 384599796 /nfs/dbraw/zinc/59/97/96/384599796.db2.gz ZWDRZBPPCXEVHB-OAHLLOKOSA-N 0 3 244.338 3.094 20 0 BGADHN CCC[C@@H](CN[C@@H](C)c1cc(C)oc1C)OC ZINC000293737242 169385747 /nfs/dbraw/zinc/38/57/47/169385747.db2.gz RZYMXCLMQQOLIH-AAEUAGOBSA-N 0 3 239.359 3.362 20 0 BGADHN CCC[C@H](CN[C@H](C)c1cc(C)oc1C)OC ZINC000293737244 384900390 /nfs/dbraw/zinc/90/03/90/384900390.db2.gz RZYMXCLMQQOLIH-DGCLKSJQSA-N 0 3 239.359 3.362 20 0 BGADHN CCC[C@H](CN[C@@H](C)c1cc(C)oc1C)OC ZINC000293737246 384898743 /nfs/dbraw/zinc/89/87/43/384898743.db2.gz RZYMXCLMQQOLIH-WCQYABFASA-N 0 3 239.359 3.362 20 0 BGADHN CCC[C@@H](CN[C@H](C)c1cc(C)oc1C)OC ZINC000293737249 169385776 /nfs/dbraw/zinc/38/57/76/169385776.db2.gz RZYMXCLMQQOLIH-YPMHNXCESA-N 0 3 239.359 3.362 20 0 BGADHN CCOC1(CN[C@H](C)c2ccco2)CCCC1 ZINC000293740009 170320372 /nfs/dbraw/zinc/32/03/72/170320372.db2.gz PCMHQDLVRYPZCW-GFCCVEGCSA-N 0 3 237.343 3.280 20 0 BGADHN CCOC1(CN[C@@H](C)c2ccco2)CCCC1 ZINC000293740020 170320095 /nfs/dbraw/zinc/32/00/95/170320095.db2.gz PCMHQDLVRYPZCW-LBPRGKRZSA-N 0 3 237.343 3.280 20 0 BGADHN CC(C)=CCC[C@H](C)NCc1snnc1C ZINC000293740056 384965879 /nfs/dbraw/zinc/96/58/79/384965879.db2.gz QPJXENSXOBHOLS-JTQLQIEISA-N 0 3 239.388 3.071 20 0 BGADHN CC(C)=CCC[C@@H](C)NCc1snnc1C ZINC000293740058 384967406 /nfs/dbraw/zinc/96/74/06/384967406.db2.gz QPJXENSXOBHOLS-SNVBAGLBSA-N 0 3 239.388 3.071 20 0 BGADHN CCC[C@@]1(NCc2csc(C)c2)CCOC1 ZINC000293740813 385268956 /nfs/dbraw/zinc/26/89/56/385268956.db2.gz SFOHHJYQIHYXCB-CYBMUJFWSA-N 0 3 239.384 3.105 20 0 BGADHN CCC[C@]1(NCc2csc(C)c2)CCOC1 ZINC000293740814 385269519 /nfs/dbraw/zinc/26/95/19/385269519.db2.gz SFOHHJYQIHYXCB-ZDUSSCGKSA-N 0 3 239.384 3.105 20 0 BGADHN CCOC1(CN[C@H](C)c2cccnc2)CCCC1 ZINC000293742872 170319911 /nfs/dbraw/zinc/31/99/11/170319911.db2.gz PMKARWTZIZPTOZ-CYBMUJFWSA-N 0 3 248.370 3.082 20 0 BGADHN CCOC1(CN[C@@H](C)c2cccnc2)CCCC1 ZINC000293742876 170320235 /nfs/dbraw/zinc/32/02/35/170320235.db2.gz PMKARWTZIZPTOZ-ZDUSSCGKSA-N 0 3 248.370 3.082 20 0 BGADHN CCc1nocc1CN(C)C[C@@H]1CC=CCC1 ZINC000293754506 172095651 /nfs/dbraw/zinc/09/56/51/172095651.db2.gz YMIGWVGVGFMDOG-GFCCVEGCSA-N 0 3 234.343 3.025 20 0 BGADHN CCc1nocc1CN(C)C[C@H]1CC=CCC1 ZINC000293754507 172094343 /nfs/dbraw/zinc/09/43/43/172094343.db2.gz YMIGWVGVGFMDOG-LBPRGKRZSA-N 0 3 234.343 3.025 20 0 BGADHN Cc1nc([C@@H](C)NCC2CC(F)(F)C2)cs1 ZINC000293754773 180035206 /nfs/dbraw/zinc/03/52/06/180035206.db2.gz RRCLSGNBYSEWHA-SSDOTTSWSA-N 0 3 246.326 3.147 20 0 BGADHN Cc1nc([C@H](C)NCC2CC(F)(F)C2)cs1 ZINC000293754778 180048426 /nfs/dbraw/zinc/04/84/26/180048426.db2.gz RRCLSGNBYSEWHA-ZETCQYMHSA-N 0 3 246.326 3.147 20 0 BGADHN CCC[C@@H](CNCc1cc(Cl)cs1)OC ZINC000293756791 169384830 /nfs/dbraw/zinc/38/48/30/169384830.db2.gz UOXPZZIHEHRFBE-JTQLQIEISA-N 0 3 247.791 3.306 20 0 BGADHN CCC[C@H](CNCc1cc(Cl)cs1)OC ZINC000293756796 385051534 /nfs/dbraw/zinc/05/15/34/385051534.db2.gz UOXPZZIHEHRFBE-SNVBAGLBSA-N 0 3 247.791 3.306 20 0 BGADHN CCC[C@@H](CN[C@H](C)c1ccccc1F)OC ZINC000293762099 169385940 /nfs/dbraw/zinc/38/59/40/169385940.db2.gz VCEXSLPMBYVTME-NEPJUHHUSA-N 0 3 239.334 3.291 20 0 BGADHN CCC[C@H](CN[C@@H](C)c1ccccc1F)OC ZINC000293762100 385211766 /nfs/dbraw/zinc/21/17/66/385211766.db2.gz VCEXSLPMBYVTME-NWDGAFQWSA-N 0 3 239.334 3.291 20 0 BGADHN CCC[C@@H](CN[C@@H](C)c1ccccc1F)OC ZINC000293762102 169385636 /nfs/dbraw/zinc/38/56/36/169385636.db2.gz VCEXSLPMBYVTME-RYUDHWBXSA-N 0 3 239.334 3.291 20 0 BGADHN CCC[C@H](CN[C@H](C)c1ccccc1F)OC ZINC000293762104 385210064 /nfs/dbraw/zinc/21/00/64/385210064.db2.gz VCEXSLPMBYVTME-VXGBXAGGSA-N 0 3 239.334 3.291 20 0 BGADHN CC(C)C1(N[C@@H](C)c2ccc(F)cn2)CC1 ZINC000293780707 398123973 /nfs/dbraw/zinc/12/39/73/398123973.db2.gz SXKNGBAQYCNVHF-JTQLQIEISA-N 0 3 222.307 3.060 20 0 BGADHN CC(C)C1(N[C@H](C)c2ccc(F)cn2)CC1 ZINC000293780708 398123882 /nfs/dbraw/zinc/12/38/82/398123882.db2.gz SXKNGBAQYCNVHF-SNVBAGLBSA-N 0 3 222.307 3.060 20 0 BGADHN CCc1noc(C)c1CN[C@@H]1CC=C(C)CC1 ZINC000293784770 172079586 /nfs/dbraw/zinc/07/95/86/172079586.db2.gz ZMALZEMAVJCDKA-GFCCVEGCSA-N 0 3 234.343 3.134 20 0 BGADHN CCc1noc(C)c1CN[C@H]1CC=C(C)CC1 ZINC000293784773 172081273 /nfs/dbraw/zinc/08/12/73/172081273.db2.gz ZMALZEMAVJCDKA-LBPRGKRZSA-N 0 3 234.343 3.134 20 0 BGADHN CCc1nc(C)c(CN[C@@H]2CC=C(C)CC2)o1 ZINC000293785167 352361054 /nfs/dbraw/zinc/36/10/54/352361054.db2.gz CCBIQOPGGSPLJO-GFCCVEGCSA-N 0 3 234.343 3.134 20 0 BGADHN CCc1nc(C)c(CN[C@H]2CC=C(C)CC2)o1 ZINC000293785169 352361065 /nfs/dbraw/zinc/36/10/65/352361065.db2.gz CCBIQOPGGSPLJO-LBPRGKRZSA-N 0 3 234.343 3.134 20 0 BGADHN CCc1ccc([C@@H](C)NCC(C)(C)COC)o1 ZINC000293795454 386882488 /nfs/dbraw/zinc/88/24/88/386882488.db2.gz UPYCTSHDNSEHES-LLVKDONJSA-N 0 3 239.359 3.165 20 0 BGADHN CCc1ccc([C@H](C)NCC(C)(C)COC)o1 ZINC000293795459 386881366 /nfs/dbraw/zinc/88/13/66/386881366.db2.gz UPYCTSHDNSEHES-NSHDSACASA-N 0 3 239.359 3.165 20 0 BGADHN COCC1(CCN[C@H](C)c2ccco2)CCC1 ZINC000293796493 174096040 /nfs/dbraw/zinc/09/60/40/174096040.db2.gz USMVQPHAJJQZDU-GFCCVEGCSA-N 0 3 237.343 3.137 20 0 BGADHN COCC1(CCN[C@@H](C)c2ccco2)CCC1 ZINC000293796498 174094708 /nfs/dbraw/zinc/09/47/08/174094708.db2.gz USMVQPHAJJQZDU-LBPRGKRZSA-N 0 3 237.343 3.137 20 0 BGADHN Cc1ccncc1CN1CC(C)(C)[C@@H]1C(C)C ZINC000293804598 386882762 /nfs/dbraw/zinc/88/27/62/386882762.db2.gz DOAHVENWGWIGDR-AWEZNQCLSA-N 0 3 232.371 3.256 20 0 BGADHN Cc1ccncc1CN1CC(C)(C)[C@H]1C(C)C ZINC000293804600 386881534 /nfs/dbraw/zinc/88/15/34/386881534.db2.gz DOAHVENWGWIGDR-CQSZACIVSA-N 0 3 232.371 3.256 20 0 BGADHN CC(C)CN1CC(C)(C)[C@H]1c1ccncc1 ZINC000293823801 352361987 /nfs/dbraw/zinc/36/19/87/352361987.db2.gz FZURWMFUBKGJCI-CYBMUJFWSA-N 0 3 218.344 3.121 20 0 BGADHN CC(C)CN1CC(C)(C)[C@@H]1c1ccncc1 ZINC000293823805 352361885 /nfs/dbraw/zinc/36/18/85/352361885.db2.gz FZURWMFUBKGJCI-ZDUSSCGKSA-N 0 3 218.344 3.121 20 0 BGADHN CCOC1(CN[C@H](C)c2ccccn2)CCCC1 ZINC000293844733 170320329 /nfs/dbraw/zinc/32/03/29/170320329.db2.gz XZZWKBUSPBRAKP-CYBMUJFWSA-N 0 3 248.370 3.082 20 0 BGADHN CCOC1(CN[C@@H](C)c2ccccn2)CCCC1 ZINC000293844741 170320028 /nfs/dbraw/zinc/32/00/28/170320028.db2.gz XZZWKBUSPBRAKP-ZDUSSCGKSA-N 0 3 248.370 3.082 20 0 BGADHN CN(Cc1cccnc1)[C@H]1C=CCCCCC1 ZINC000293883410 386895856 /nfs/dbraw/zinc/89/58/56/386895856.db2.gz UICHZIYHEKLETB-HNNXBMFYSA-N 0 3 230.355 3.402 20 0 BGADHN CN(Cc1cccnc1)[C@@H]1C=CCCCCC1 ZINC000293883413 386896920 /nfs/dbraw/zinc/89/69/20/386896920.db2.gz UICHZIYHEKLETB-OAHLLOKOSA-N 0 3 230.355 3.402 20 0 BGADHN Cc1ccoc1CN[C@@H]1CCC12CCC2 ZINC000293908126 384053264 /nfs/dbraw/zinc/05/32/64/384053264.db2.gz ZXYNUOLYQVXNKX-GFCCVEGCSA-N 0 3 205.301 3.010 20 0 BGADHN Cc1ccoc1CN[C@H]1CCC12CCC2 ZINC000293908130 384053437 /nfs/dbraw/zinc/05/34/37/384053437.db2.gz ZXYNUOLYQVXNKX-LBPRGKRZSA-N 0 3 205.301 3.010 20 0 BGADHN Cc1ccoc1CN[C@@H]1CC=C(C)CC1 ZINC000293918214 168119007 /nfs/dbraw/zinc/11/90/07/168119007.db2.gz MJHZBXKTCZBJHE-GFCCVEGCSA-N 0 3 205.301 3.176 20 0 BGADHN Cc1ccoc1CN[C@H]1CC=C(C)CC1 ZINC000293918217 168121241 /nfs/dbraw/zinc/12/12/41/168121241.db2.gz MJHZBXKTCZBJHE-LBPRGKRZSA-N 0 3 205.301 3.176 20 0 BGADHN COc1ccc(CNCc2ccsc2C)cc1 ZINC000293949374 175108736 /nfs/dbraw/zinc/10/87/36/175108736.db2.gz BQROBPFVVHDLQZ-UHFFFAOYSA-N 0 3 247.363 3.355 20 0 BGADHN CC1(C)OCC[C@H]1NCc1ccc(Cl)s1 ZINC000293958525 188268105 /nfs/dbraw/zinc/26/81/05/188268105.db2.gz ZUMBPONFDFRDDO-SECBINFHSA-N 0 3 245.775 3.059 20 0 BGADHN CC1(C)OCC[C@@H]1NCc1ccc(Cl)s1 ZINC000293958528 384141240 /nfs/dbraw/zinc/14/12/40/384141240.db2.gz ZUMBPONFDFRDDO-VIFPVBQESA-N 0 3 245.775 3.059 20 0 BGADHN CCCCCNCc1ncc(CSC)s1 ZINC000293959050 384142807 /nfs/dbraw/zinc/14/28/07/384142807.db2.gz CHEHDXLPDDPTIE-UHFFFAOYSA-N 0 3 244.429 3.286 20 0 BGADHN CCCC(CCC)NCc1cnccc1OC ZINC000293964378 385774513 /nfs/dbraw/zinc/77/45/13/385774513.db2.gz AIANQIVXUUTONP-UHFFFAOYSA-N 0 3 236.359 3.149 20 0 BGADHN FC[C@H]1CCCN1Cc1cccc2cc[nH]c21 ZINC000293967334 385777417 /nfs/dbraw/zinc/77/74/17/385777417.db2.gz JUWYSUGKNVKMBK-CYBMUJFWSA-N 0 3 232.302 3.102 20 0 BGADHN FC[C@@H]1CCCN1Cc1cccc2cc[nH]c21 ZINC000293967341 385776728 /nfs/dbraw/zinc/77/67/28/385776728.db2.gz JUWYSUGKNVKMBK-ZDUSSCGKSA-N 0 3 232.302 3.102 20 0 BGADHN FC[C@H]1CCCN1Cc1cccc2[nH]ccc21 ZINC000293976252 385778354 /nfs/dbraw/zinc/77/83/54/385778354.db2.gz KKTLQMOVWJMQHH-GFCCVEGCSA-N 0 3 232.302 3.102 20 0 BGADHN FC[C@@H]1CCCN1Cc1cccc2[nH]ccc21 ZINC000293976255 385778282 /nfs/dbraw/zinc/77/82/82/385778282.db2.gz KKTLQMOVWJMQHH-LBPRGKRZSA-N 0 3 232.302 3.102 20 0 BGADHN CCCCC[C@@H](C)NCc1cnccc1OC ZINC000293983532 388393518 /nfs/dbraw/zinc/39/35/18/388393518.db2.gz BMORIIXYAMDKTE-GFCCVEGCSA-N 0 3 236.359 3.149 20 0 BGADHN CCCCC[C@H](C)NCc1cnccc1OC ZINC000293983540 388394415 /nfs/dbraw/zinc/39/44/15/388394415.db2.gz BMORIIXYAMDKTE-LBPRGKRZSA-N 0 3 236.359 3.149 20 0 BGADHN Cc1sccc1CN(C(C)C)[C@@H]1CCOC1 ZINC000294005073 385784307 /nfs/dbraw/zinc/78/43/07/385784307.db2.gz SZAPXXORAMKROX-CYBMUJFWSA-N 0 3 239.384 3.056 20 0 BGADHN Cc1sccc1CN(C(C)C)[C@H]1CCOC1 ZINC000294005075 385784248 /nfs/dbraw/zinc/78/42/48/385784248.db2.gz SZAPXXORAMKROX-ZDUSSCGKSA-N 0 3 239.384 3.056 20 0 BGADHN Cc1sccc1CN[C@@H](C)c1cccnc1 ZINC000294022658 388394448 /nfs/dbraw/zinc/39/44/48/388394448.db2.gz HMFQSBGKBRVJBE-JTQLQIEISA-N 0 3 232.352 3.302 20 0 BGADHN Cc1sccc1CN[C@H](C)c1cccnc1 ZINC000294022662 388393507 /nfs/dbraw/zinc/39/35/07/388393507.db2.gz HMFQSBGKBRVJBE-SNVBAGLBSA-N 0 3 232.352 3.302 20 0 BGADHN CCCCC[C@H](C)NCc1conc1C ZINC000294025133 387591570 /nfs/dbraw/zinc/59/15/70/387591570.db2.gz HSQUTFKKMIIOJO-JTQLQIEISA-N 0 3 210.321 3.041 20 0 BGADHN CCCCC[C@@H](C)NCc1conc1C ZINC000294025140 388393538 /nfs/dbraw/zinc/39/35/38/388393538.db2.gz HSQUTFKKMIIOJO-SNVBAGLBSA-N 0 3 210.321 3.041 20 0 BGADHN COc1ccncc1CN[C@H](C)CCC(C)C ZINC000294063858 175373463 /nfs/dbraw/zinc/37/34/63/175373463.db2.gz HJHQLGNWAZSDLV-GFCCVEGCSA-N 0 3 236.359 3.005 20 0 BGADHN COc1ccncc1CN[C@@H](C)CCC(C)C ZINC000294063868 175372551 /nfs/dbraw/zinc/37/25/51/175372551.db2.gz HJHQLGNWAZSDLV-LBPRGKRZSA-N 0 3 236.359 3.005 20 0 BGADHN CSCc1cnc(CNC2CCCC2)s1 ZINC000294064504 384489147 /nfs/dbraw/zinc/48/91/47/384489147.db2.gz KFODGIWJUVUSDD-UHFFFAOYSA-N 0 3 242.413 3.038 20 0 BGADHN Cc1sccc1CN(C)Cc1ccc(O)cc1 ZINC000294067268 385797375 /nfs/dbraw/zinc/79/73/75/385797375.db2.gz YHGSMJOXZUCJHE-UHFFFAOYSA-N 0 3 247.363 3.394 20 0 BGADHN Cc1sccc1CNCc1cccs1 ZINC000294079534 384891079 /nfs/dbraw/zinc/89/10/79/384891079.db2.gz LGRDOTIDFZUVJD-UHFFFAOYSA-N 0 3 223.366 3.408 20 0 BGADHN C[C@H]1C[C@@H](NCCC2=CCCCC2)c2nccn21 ZINC000294080981 177331338 /nfs/dbraw/zinc/33/13/38/177331338.db2.gz LLXBHBSZTADVTD-GXTWGEPZSA-N 0 3 245.370 3.369 20 0 BGADHN C[C@H]1C[C@H](NCCC2=CCCCC2)c2nccn21 ZINC000294080985 177369089 /nfs/dbraw/zinc/36/90/89/177369089.db2.gz LLXBHBSZTADVTD-JSGCOSHPSA-N 0 3 245.370 3.369 20 0 BGADHN C[C@@H]1C[C@H](NCCC2=CCCCC2)c2nccn21 ZINC000294080988 385002001 /nfs/dbraw/zinc/00/20/01/385002001.db2.gz LLXBHBSZTADVTD-OCCSQVGLSA-N 0 3 245.370 3.369 20 0 BGADHN C[C@@H]1C[C@@H](NCCC2=CCCCC2)c2nccn21 ZINC000294080991 176374802 /nfs/dbraw/zinc/37/48/02/176374802.db2.gz LLXBHBSZTADVTD-TZMCWYRMSA-N 0 3 245.370 3.369 20 0 BGADHN Cc1ccc(CNCCC(C)(F)F)cc1F ZINC000294081556 385086027 /nfs/dbraw/zinc/08/60/27/385086027.db2.gz AHBBPEYVFJDMRE-UHFFFAOYSA-N 0 3 231.261 3.269 20 0 BGADHN Cc1ccc(F)c(CNCCC(C)(F)F)c1 ZINC000294083513 383922778 /nfs/dbraw/zinc/92/27/78/383922778.db2.gz AKTNKBGHLWCPFF-UHFFFAOYSA-N 0 3 231.261 3.269 20 0 BGADHN CSCc1cnc(CNCCC(C)C)s1 ZINC000294084204 388394987 /nfs/dbraw/zinc/39/49/87/388394987.db2.gz LKSVHVSPKTXIJD-UHFFFAOYSA-N 0 3 244.429 3.142 20 0 BGADHN COc1ccccc1[C@H](C)NCCC(C)(F)F ZINC000294088867 175351227 /nfs/dbraw/zinc/35/12/27/175351227.db2.gz AXXWULCKZJXBCB-JTQLQIEISA-N 0 3 243.297 3.391 20 0 BGADHN COc1ccccc1[C@@H](C)NCCC(C)(F)F ZINC000294088870 175344506 /nfs/dbraw/zinc/34/45/06/175344506.db2.gz AXXWULCKZJXBCB-SNVBAGLBSA-N 0 3 243.297 3.391 20 0 BGADHN CC[C@H](CNCc1conc1C)c1ccccc1 ZINC000294089619 385801950 /nfs/dbraw/zinc/80/19/50/385801950.db2.gz LTZOMEATCGNAAX-CYBMUJFWSA-N 0 3 244.338 3.266 20 0 BGADHN CC[C@@H](CNCc1conc1C)c1ccccc1 ZINC000294089622 385802231 /nfs/dbraw/zinc/80/22/31/385802231.db2.gz LTZOMEATCGNAAX-ZDUSSCGKSA-N 0 3 244.338 3.266 20 0 BGADHN CC(F)(F)CCN[C@@H]1CCc2cc(F)ccc21 ZINC000294101069 388395075 /nfs/dbraw/zinc/39/50/75/388395075.db2.gz BZRCKLWCKAGBKF-GFCCVEGCSA-N 0 3 243.272 3.448 20 0 BGADHN CC(F)(F)CCN[C@H]1CCc2cc(F)ccc21 ZINC000294101074 384626872 /nfs/dbraw/zinc/62/68/72/384626872.db2.gz BZRCKLWCKAGBKF-LBPRGKRZSA-N 0 3 243.272 3.448 20 0 BGADHN Cc1sccc1CNCc1ccsc1 ZINC000294114905 384720230 /nfs/dbraw/zinc/72/02/30/384720230.db2.gz NBKNFJUXLGSQRF-UHFFFAOYSA-N 0 3 223.366 3.408 20 0 BGADHN Cc1sccc1CNCc1ccc(C)nc1 ZINC000294120723 178616557 /nfs/dbraw/zinc/61/65/57/178616557.db2.gz NGXCPEAZQQOWPH-UHFFFAOYSA-N 0 3 232.352 3.050 20 0 BGADHN Cc1ccc(F)cc1CNCCC(C)(F)F ZINC000294122868 388395820 /nfs/dbraw/zinc/39/58/20/388395820.db2.gz DWHHJTAQEBFPOI-UHFFFAOYSA-N 0 3 231.261 3.269 20 0 BGADHN CC(C)c1ccc(CN2CC3(C2)CCOC3)cc1 ZINC000294127674 385809628 /nfs/dbraw/zinc/80/96/28/385809628.db2.gz UFLGLHBOZYASQJ-UHFFFAOYSA-N 0 3 245.366 3.032 20 0 BGADHN CC[C@H](COC)N[C@@H](C)c1csc(C)c1 ZINC000294128252 384862924 /nfs/dbraw/zinc/86/29/24/384862924.db2.gz FFNXMYHGJPQTAI-CMPLNLGQSA-N 0 3 227.373 3.132 20 0 BGADHN CC[C@@H](COC)N[C@@H](C)c1csc(C)c1 ZINC000294128255 384861209 /nfs/dbraw/zinc/86/12/09/384861209.db2.gz FFNXMYHGJPQTAI-JQWIXIFHSA-N 0 3 227.373 3.132 20 0 BGADHN CC[C@@H](COC)N[C@H](C)c1csc(C)c1 ZINC000294128256 384861811 /nfs/dbraw/zinc/86/18/11/384861811.db2.gz FFNXMYHGJPQTAI-PWSUYJOCSA-N 0 3 227.373 3.132 20 0 BGADHN CC[C@H](COC)N[C@H](C)c1csc(C)c1 ZINC000294128259 384862038 /nfs/dbraw/zinc/86/20/38/384862038.db2.gz FFNXMYHGJPQTAI-ZYHUDNBSSA-N 0 3 227.373 3.132 20 0 BGADHN CC(F)(F)CCNCc1ccc(F)c(F)c1 ZINC000294133895 388395509 /nfs/dbraw/zinc/39/55/09/388395509.db2.gz FSUURRCWLDXGQZ-UHFFFAOYSA-N 0 3 235.224 3.100 20 0 BGADHN CC[C@H](C)[C@@H](CN[C@H](C)c1ccsc1)OC ZINC000294139586 171368364 /nfs/dbraw/zinc/36/83/64/171368364.db2.gz GDUBRDVXTJZCFD-DMDPSCGWSA-N 0 3 241.400 3.460 20 0 BGADHN CC[C@H](C)[C@@H](CN[C@@H](C)c1ccsc1)OC ZINC000294139590 171369002 /nfs/dbraw/zinc/36/90/02/171369002.db2.gz GDUBRDVXTJZCFD-GMXVVIOVSA-N 0 3 241.400 3.460 20 0 BGADHN CC[C@H](C)[C@H](CN[C@@H](C)c1ccsc1)OC ZINC000294139593 171392968 /nfs/dbraw/zinc/39/29/68/171392968.db2.gz GDUBRDVXTJZCFD-GVXVVHGQSA-N 0 3 241.400 3.460 20 0 BGADHN CC[C@H](C)[C@H](CN[C@H](C)c1ccsc1)OC ZINC000294139597 171393585 /nfs/dbraw/zinc/39/35/85/171393585.db2.gz GDUBRDVXTJZCFD-LOWVWBTDSA-N 0 3 241.400 3.460 20 0 BGADHN CC(F)(F)CCNC/C=C/c1ccccc1 ZINC000294151422 388394703 /nfs/dbraw/zinc/39/47/03/388394703.db2.gz HLWNCJVVNLOPMO-VMPITWQZSA-N 0 3 225.282 3.335 20 0 BGADHN CCC1(NCc2cn3ccccc3n2)CCCC1 ZINC000294153034 385197827 /nfs/dbraw/zinc/19/78/27/385197827.db2.gz ACOAONFMDJJESY-UHFFFAOYSA-N 0 3 243.354 3.147 20 0 BGADHN CC[C@@H](N[C@H](C)c1cn[nH]c1)c1ccsc1 ZINC000294157798 345277822 /nfs/dbraw/zinc/27/78/22/345277822.db2.gz APXQXOGCKCQEJS-BXKDBHETSA-N 0 3 235.356 3.273 20 0 BGADHN CC[C@H](N[C@@H](C)c1cn[nH]c1)c1ccsc1 ZINC000294157801 385257952 /nfs/dbraw/zinc/25/79/52/385257952.db2.gz APXQXOGCKCQEJS-CABZTGNLSA-N 0 3 235.356 3.273 20 0 BGADHN CC[C@@H](N[C@@H](C)c1cn[nH]c1)c1ccsc1 ZINC000294157805 345277680 /nfs/dbraw/zinc/27/76/80/345277680.db2.gz APXQXOGCKCQEJS-JOYOIKCWSA-N 0 3 235.356 3.273 20 0 BGADHN CC[C@H](N[C@H](C)c1cn[nH]c1)c1ccsc1 ZINC000294157809 385257616 /nfs/dbraw/zinc/25/76/16/385257616.db2.gz APXQXOGCKCQEJS-SKDRFNHKSA-N 0 3 235.356 3.273 20 0 BGADHN Cc1nc(C)c([C@@H](C)NCCC(C)(F)F)s1 ZINC000294160181 385260730 /nfs/dbraw/zinc/26/07/30/385260730.db2.gz IGYMHZYQALPNBY-SSDOTTSWSA-N 0 3 248.342 3.456 20 0 BGADHN Cc1nc(C)c([C@H](C)NCCC(C)(F)F)s1 ZINC000294160185 385260275 /nfs/dbraw/zinc/26/02/75/385260275.db2.gz IGYMHZYQALPNBY-ZETCQYMHSA-N 0 3 248.342 3.456 20 0 BGADHN CCOc1ccc(CNCCC(C)(F)F)cc1 ZINC000294160279 385262980 /nfs/dbraw/zinc/26/29/80/385262980.db2.gz IIKKFHTYUMHIPE-UHFFFAOYSA-N 0 3 243.297 3.220 20 0 BGADHN CCC1(NCc2nc(C)cs2)CCCC1 ZINC000294167653 385346450 /nfs/dbraw/zinc/34/64/50/385346450.db2.gz BXZGWCQDJKPZRN-UHFFFAOYSA-N 0 3 224.373 3.264 20 0 BGADHN CC[C@@H](NCCOC(C)C)c1ccsc1 ZINC000294170403 385360994 /nfs/dbraw/zinc/36/09/94/385360994.db2.gz CGQZRWMVGZJGAI-GFCCVEGCSA-N 0 3 227.373 3.214 20 0 BGADHN CC[C@H](NCCOC(C)C)c1ccsc1 ZINC000294170405 385357403 /nfs/dbraw/zinc/35/74/03/385357403.db2.gz CGQZRWMVGZJGAI-LBPRGKRZSA-N 0 3 227.373 3.214 20 0 BGADHN CC[C@H](NCCOCC(F)F)c1ccsc1 ZINC000294170603 385357742 /nfs/dbraw/zinc/35/77/42/385357742.db2.gz CKTIFMDBGHQRMI-JTQLQIEISA-N 0 3 249.326 3.071 20 0 BGADHN CC[C@@H](NCCOCC(F)F)c1ccsc1 ZINC000294170604 385358729 /nfs/dbraw/zinc/35/87/29/385358729.db2.gz CKTIFMDBGHQRMI-SNVBAGLBSA-N 0 3 249.326 3.071 20 0 BGADHN CC(F)(F)CCN[C@H]1CCCc2occc21 ZINC000294174775 384255102 /nfs/dbraw/zinc/25/51/02/384255102.db2.gz JOEOLHTUDVSPSS-JTQLQIEISA-N 0 3 229.270 3.292 20 0 BGADHN CC(F)(F)CCN[C@@H]1CCCc2occc21 ZINC000294174778 384255114 /nfs/dbraw/zinc/25/51/14/384255114.db2.gz JOEOLHTUDVSPSS-SNVBAGLBSA-N 0 3 229.270 3.292 20 0 BGADHN Cc1cccc(CNCCC(C)(F)F)c1 ZINC000294174944 179090406 /nfs/dbraw/zinc/09/04/06/179090406.db2.gz JQKIDABRLBJAAM-UHFFFAOYSA-N 0 3 213.271 3.130 20 0 BGADHN FC1(F)CCCC[C@@H]1CNCc1cncs1 ZINC000294183949 388396927 /nfs/dbraw/zinc/39/69/27/388396927.db2.gz KIWKEVCNKJNARG-SECBINFHSA-N 0 3 246.326 3.058 20 0 BGADHN FC1(F)CCCC[C@H]1CNCc1cncs1 ZINC000294183951 384296723 /nfs/dbraw/zinc/29/67/23/384296723.db2.gz KIWKEVCNKJNARG-VIFPVBQESA-N 0 3 246.326 3.058 20 0 BGADHN CC(F)(F)CCNCc1cc(F)cc(F)c1 ZINC000294193821 384391058 /nfs/dbraw/zinc/39/10/58/384391058.db2.gz LHWCZGLVFXYIPF-UHFFFAOYSA-N 0 3 235.224 3.100 20 0 BGADHN CCc1ccc(CNCCC(C)(F)F)cc1 ZINC000294195349 384392476 /nfs/dbraw/zinc/39/24/76/384392476.db2.gz LLQFNWVWDBOZET-UHFFFAOYSA-N 0 3 227.298 3.384 20 0 BGADHN COc1ccc([C@H](C)NCCC(C)(F)F)cc1 ZINC000294201147 175188049 /nfs/dbraw/zinc/18/80/49/175188049.db2.gz LWDGHUWKNXBYSA-JTQLQIEISA-N 0 3 243.297 3.391 20 0 BGADHN COc1ccc([C@@H](C)NCCC(C)(F)F)cc1 ZINC000294201151 384568036 /nfs/dbraw/zinc/56/80/36/384568036.db2.gz LWDGHUWKNXBYSA-SNVBAGLBSA-N 0 3 243.297 3.391 20 0 BGADHN Cc1cc([C@H](C)NC[C@@H]2CCCCO2)cs1 ZINC000294205320 178249303 /nfs/dbraw/zinc/24/93/03/178249303.db2.gz MDECMTREBVBJTF-AAEUAGOBSA-N 0 3 239.384 3.276 20 0 BGADHN Cc1cc([C@@H](C)NC[C@H]2CCCCO2)cs1 ZINC000294205323 178226154 /nfs/dbraw/zinc/22/61/54/178226154.db2.gz MDECMTREBVBJTF-DGCLKSJQSA-N 0 3 239.384 3.276 20 0 BGADHN Cc1cc([C@H](C)NC[C@H]2CCCCO2)cs1 ZINC000294205326 178251041 /nfs/dbraw/zinc/25/10/41/178251041.db2.gz MDECMTREBVBJTF-WCQYABFASA-N 0 3 239.384 3.276 20 0 BGADHN Cc1cc([C@@H](C)NC[C@@H]2CCCCO2)cs1 ZINC000294205331 178226925 /nfs/dbraw/zinc/22/69/25/178226925.db2.gz MDECMTREBVBJTF-YPMHNXCESA-N 0 3 239.384 3.276 20 0 BGADHN CCC(CC)NCc1ncc(CSC)s1 ZINC000294215781 168389541 /nfs/dbraw/zinc/38/95/41/168389541.db2.gz SBJFCPUZTUPABN-UHFFFAOYSA-N 0 3 244.429 3.284 20 0 BGADHN CC(F)(F)CCNCc1cccc(Cl)c1 ZINC000294227856 387590589 /nfs/dbraw/zinc/59/05/89/387590589.db2.gz NZOVMTYUHIJLKR-UHFFFAOYSA-N 0 3 233.689 3.475 20 0 BGADHN CO[C@@H](CN[C@@H](C)c1csc(C)c1)C(C)C ZINC000294229398 388396402 /nfs/dbraw/zinc/39/64/02/388396402.db2.gz OCUDABBZKOYFBP-AAEUAGOBSA-N 0 3 241.400 3.378 20 0 BGADHN CO[C@H](CN[C@H](C)c1csc(C)c1)C(C)C ZINC000294229402 388396687 /nfs/dbraw/zinc/39/66/87/388396687.db2.gz OCUDABBZKOYFBP-DGCLKSJQSA-N 0 3 241.400 3.378 20 0 BGADHN CO[C@H](CN[C@@H](C)c1csc(C)c1)C(C)C ZINC000294229405 388396967 /nfs/dbraw/zinc/39/69/67/388396967.db2.gz OCUDABBZKOYFBP-WCQYABFASA-N 0 3 241.400 3.378 20 0 BGADHN CO[C@@H](CN[C@H](C)c1csc(C)c1)C(C)C ZINC000294229408 388396676 /nfs/dbraw/zinc/39/66/76/388396676.db2.gz OCUDABBZKOYFBP-YPMHNXCESA-N 0 3 241.400 3.378 20 0 BGADHN C[C@@H](NCCC(C)(F)F)c1cccc(O)c1 ZINC000294229539 384684721 /nfs/dbraw/zinc/68/47/21/384684721.db2.gz OEAJVHAAJHJXQM-SECBINFHSA-N 0 3 229.270 3.088 20 0 BGADHN C[C@H](NCCC(C)(F)F)c1cccc(O)c1 ZINC000294229544 176839772 /nfs/dbraw/zinc/83/97/72/176839772.db2.gz OEAJVHAAJHJXQM-VIFPVBQESA-N 0 3 229.270 3.088 20 0 BGADHN COc1cccc([C@H](C)NCCC(C)(F)F)c1 ZINC000294239926 175293791 /nfs/dbraw/zinc/29/37/91/175293791.db2.gz PCSXXMILLCJIEP-JTQLQIEISA-N 0 3 243.297 3.391 20 0 BGADHN COc1cccc([C@@H](C)NCCC(C)(F)F)c1 ZINC000294239928 175286465 /nfs/dbraw/zinc/28/64/65/175286465.db2.gz PCSXXMILLCJIEP-SNVBAGLBSA-N 0 3 243.297 3.391 20 0 BGADHN CC[C@H](C)[C@H](CN[C@@H](C)c1ccc(C)o1)OC ZINC000294245308 171392841 /nfs/dbraw/zinc/39/28/41/171392841.db2.gz PMZVMTNYZKUGFF-JKOKRWQUSA-N 0 3 239.359 3.300 20 0 BGADHN CC[C@H](C)[C@H](CN[C@H](C)c1ccc(C)o1)OC ZINC000294245312 171393621 /nfs/dbraw/zinc/39/36/21/171393621.db2.gz PMZVMTNYZKUGFF-SUHUHFCYSA-N 0 3 239.359 3.300 20 0 BGADHN CC[C@H](C)[C@@H](CN[C@@H](C)c1ccc(C)o1)OC ZINC000294245316 171369148 /nfs/dbraw/zinc/36/91/48/171369148.db2.gz PMZVMTNYZKUGFF-VHRBIJSZSA-N 0 3 239.359 3.300 20 0 BGADHN CC[C@H](C)[C@@H](CN[C@H](C)c1ccc(C)o1)OC ZINC000294245320 171369079 /nfs/dbraw/zinc/36/90/79/171369079.db2.gz PMZVMTNYZKUGFF-ZKYQVNSYSA-N 0 3 239.359 3.300 20 0 BGADHN CC(F)(F)CCNCc1ccccc1Cl ZINC000294254369 410521936 /nfs/dbraw/zinc/52/19/36/410521936.db2.gz QGPOASBGFGXKOW-UHFFFAOYSA-N 0 3 233.689 3.475 20 0 BGADHN CC(F)(F)CCNCc1ccc(Cl)cc1 ZINC000294256324 384701082 /nfs/dbraw/zinc/70/10/82/384701082.db2.gz QKKAJSXOLGPWNW-UHFFFAOYSA-N 0 3 233.689 3.475 20 0 BGADHN Cc1cc(CNCCC(C)(F)F)cc(C)c1O ZINC000294262083 178021467 /nfs/dbraw/zinc/02/14/67/178021467.db2.gz RACFEORZDMXWPF-UHFFFAOYSA-N 0 3 243.297 3.144 20 0 BGADHN COc1cccc(CNCc2ccsc2C)c1 ZINC000294263340 175265755 /nfs/dbraw/zinc/26/57/55/175265755.db2.gz VCNCIAWHHNUYPJ-UHFFFAOYSA-N 0 3 247.363 3.355 20 0 BGADHN CO[C@@H](CN[C@@H](C)c1csc(C)c1)C1CC1 ZINC000294271346 388398265 /nfs/dbraw/zinc/39/82/65/388398265.db2.gz RWYCVVPQJDKSOZ-GWCFXTLKSA-N 0 3 239.384 3.132 20 0 BGADHN CO[C@H](CN[C@@H](C)c1csc(C)c1)C1CC1 ZINC000294271348 388397954 /nfs/dbraw/zinc/39/79/54/388397954.db2.gz RWYCVVPQJDKSOZ-GXFFZTMASA-N 0 3 239.384 3.132 20 0 BGADHN CO[C@@H](CN[C@H](C)c1csc(C)c1)C1CC1 ZINC000294271349 388397701 /nfs/dbraw/zinc/39/77/01/388397701.db2.gz RWYCVVPQJDKSOZ-MFKMUULPSA-N 0 3 239.384 3.132 20 0 BGADHN CO[C@H](CN[C@H](C)c1csc(C)c1)C1CC1 ZINC000294271351 388398198 /nfs/dbraw/zinc/39/81/98/388398198.db2.gz RWYCVVPQJDKSOZ-ZWNOBZJWSA-N 0 3 239.384 3.132 20 0 BGADHN CCOc1ccccc1CNCCC(C)(F)F ZINC000294281409 388397419 /nfs/dbraw/zinc/39/74/19/388397419.db2.gz STYDNKOEXCDQQR-UHFFFAOYSA-N 0 3 243.297 3.220 20 0 BGADHN Cc1ccc(CNCCC(C)(F)F)cc1 ZINC000294282795 388398228 /nfs/dbraw/zinc/39/82/28/388398228.db2.gz SUJOAQLNFXWWJO-UHFFFAOYSA-N 0 3 213.271 3.130 20 0 BGADHN Cc1cc([C@@H](C)NCCOC(C)C)cs1 ZINC000294285435 178223953 /nfs/dbraw/zinc/22/39/53/178223953.db2.gz TUKIPWYDGQOHGR-LLVKDONJSA-N 0 3 227.373 3.132 20 0 BGADHN Cc1cc([C@H](C)NCCOC(C)C)cs1 ZINC000294285438 178247081 /nfs/dbraw/zinc/24/70/81/178247081.db2.gz TUKIPWYDGQOHGR-NSHDSACASA-N 0 3 227.373 3.132 20 0 BGADHN Cc1cc(F)ccc1CNCCC(C)(F)F ZINC000294285500 178086066 /nfs/dbraw/zinc/08/60/66/178086066.db2.gz TVBOQAWKKHUOGU-UHFFFAOYSA-N 0 3 231.261 3.269 20 0 BGADHN CC(F)(F)CCN[C@@H]1CCc2c1cccc2F ZINC000294295100 384739446 /nfs/dbraw/zinc/73/94/46/384739446.db2.gz UOPIWLMATIQXOT-GFCCVEGCSA-N 0 3 243.272 3.448 20 0 BGADHN CC(F)(F)CCN[C@H]1CCc2c1cccc2F ZINC000294295104 384738976 /nfs/dbraw/zinc/73/89/76/384738976.db2.gz UOPIWLMATIQXOT-LBPRGKRZSA-N 0 3 243.272 3.448 20 0 BGADHN Cc1sccc1CNCCC(C)(F)F ZINC000294304221 388399246 /nfs/dbraw/zinc/39/92/46/388399246.db2.gz VIIGTQDODLBWKO-UHFFFAOYSA-N 0 3 219.300 3.191 20 0 BGADHN CC(F)(F)CCNCc1cccc(F)c1F ZINC000294314404 384750558 /nfs/dbraw/zinc/75/05/58/384750558.db2.gz WDDYSOJLVFMIIJ-UHFFFAOYSA-N 0 3 235.224 3.100 20 0 BGADHN Cc1cc([C@@H](C)NCCOCC2CC2)cs1 ZINC000294316254 178224378 /nfs/dbraw/zinc/22/43/78/178224378.db2.gz WHHSIYJYHGBFQB-LLVKDONJSA-N 0 3 239.384 3.134 20 0 BGADHN Cc1cc([C@H](C)NCCOCC2CC2)cs1 ZINC000294316259 178249343 /nfs/dbraw/zinc/24/93/43/178249343.db2.gz WHHSIYJYHGBFQB-NSHDSACASA-N 0 3 239.384 3.134 20 0 BGADHN C[C@@H](NCCC(C)(F)F)c1ccsc1 ZINC000294323631 384754700 /nfs/dbraw/zinc/75/47/00/384754700.db2.gz XANKUUWENDBYPA-MRVPVSSYSA-N 0 3 219.300 3.444 20 0 BGADHN C[C@H](NCCC(C)(F)F)c1ccsc1 ZINC000294323635 384754951 /nfs/dbraw/zinc/75/49/51/384754951.db2.gz XANKUUWENDBYPA-QMMMGPOBSA-N 0 3 219.300 3.444 20 0 BGADHN CC[C@H](CN[C@@H](C)c1csc(C)c1)OC ZINC000294325082 171440005 /nfs/dbraw/zinc/44/00/05/171440005.db2.gz XDQBLJAUDNISGS-CMPLNLGQSA-N 0 3 227.373 3.132 20 0 BGADHN CC[C@@H](CN[C@@H](C)c1csc(C)c1)OC ZINC000294325087 387591103 /nfs/dbraw/zinc/59/11/03/387591103.db2.gz XDQBLJAUDNISGS-JQWIXIFHSA-N 0 3 227.373 3.132 20 0 BGADHN CC[C@@H](CN[C@H](C)c1csc(C)c1)OC ZINC000294325092 388398798 /nfs/dbraw/zinc/39/87/98/388398798.db2.gz XDQBLJAUDNISGS-PWSUYJOCSA-N 0 3 227.373 3.132 20 0 BGADHN CC[C@H](CN[C@H](C)c1csc(C)c1)OC ZINC000294325093 388398792 /nfs/dbraw/zinc/39/87/92/388398792.db2.gz XDQBLJAUDNISGS-ZYHUDNBSSA-N 0 3 227.373 3.132 20 0 BGADHN Cc1ccc([C@@H](C)NCCC(C)(F)F)o1 ZINC000294331662 388398725 /nfs/dbraw/zinc/39/87/25/388398725.db2.gz XUARJIGGHBNFES-SECBINFHSA-N 0 3 217.259 3.284 20 0 BGADHN Cc1ccc([C@H](C)NCCC(C)(F)F)o1 ZINC000294331665 388398764 /nfs/dbraw/zinc/39/87/64/388398764.db2.gz XUARJIGGHBNFES-VIFPVBQESA-N 0 3 217.259 3.284 20 0 BGADHN Cc1cc(CNCCC(C)(F)F)cs1 ZINC000294338157 178020690 /nfs/dbraw/zinc/02/06/90/178020690.db2.gz YHCDHAZCVDKHSL-UHFFFAOYSA-N 0 3 219.300 3.191 20 0 BGADHN CC(F)(F)CCNCc1cc(F)ccc1F ZINC000294342115 384768283 /nfs/dbraw/zinc/76/82/83/384768283.db2.gz YMURTWJQGHJFGZ-UHFFFAOYSA-N 0 3 235.224 3.100 20 0 BGADHN CC/C(C)=C/C(=O)Nc1cccc(CN(C)C)c1 ZINC000294345824 385838969 /nfs/dbraw/zinc/83/89/69/385838969.db2.gz LLXXDXLWLLEDSN-FMIVXFBMSA-N 0 3 246.354 3.043 20 0 BGADHN Cc1nocc1CN[C@H](C)CCc1ccccc1 ZINC000294353616 384776004 /nfs/dbraw/zinc/77/60/04/384776004.db2.gz ZNKCNQHUUVXHRO-GFCCVEGCSA-N 0 3 244.338 3.094 20 0 BGADHN Cc1nocc1CN[C@@H](C)CCc1ccccc1 ZINC000294353621 384776028 /nfs/dbraw/zinc/77/60/28/384776028.db2.gz ZNKCNQHUUVXHRO-LBPRGKRZSA-N 0 3 244.338 3.094 20 0 BGADHN CCOc1cccc(CNCCC(C)(F)F)c1 ZINC000294358589 388399165 /nfs/dbraw/zinc/39/91/65/388399165.db2.gz ZTKLHENDSWTHPD-UHFFFAOYSA-N 0 3 243.297 3.220 20 0 BGADHN Cc1c([C@H](C)N[C@@H]2C=CCCCCC2)cnn1C ZINC000294392538 385844897 /nfs/dbraw/zinc/84/48/97/385844897.db2.gz CCANGOGCOZHKRA-GXTWGEPZSA-N 0 3 247.386 3.268 20 0 BGADHN Cc1c([C@H](C)N[C@H]2C=CCCCCC2)cnn1C ZINC000294392540 385845002 /nfs/dbraw/zinc/84/50/02/385845002.db2.gz CCANGOGCOZHKRA-JSGCOSHPSA-N 0 3 247.386 3.268 20 0 BGADHN Cc1c([C@@H](C)N[C@H]2C=CCCCCC2)cnn1C ZINC000294392542 385844967 /nfs/dbraw/zinc/84/49/67/385844967.db2.gz CCANGOGCOZHKRA-OCCSQVGLSA-N 0 3 247.386 3.268 20 0 BGADHN Cc1c([C@@H](C)N[C@@H]2C=CCCCCC2)cnn1C ZINC000294392543 385845300 /nfs/dbraw/zinc/84/53/00/385845300.db2.gz CCANGOGCOZHKRA-TZMCWYRMSA-N 0 3 247.386 3.268 20 0 BGADHN CC1=CC[C@@H](N[C@H](C)c2ccccn2)CC1 ZINC000294410808 168119235 /nfs/dbraw/zinc/11/92/35/168119235.db2.gz WLQNGUGESDGRLB-CHWSQXEVSA-N 0 3 216.328 3.231 20 0 BGADHN CC1=CC[C@H](N[C@H](C)c2ccccn2)CC1 ZINC000294410813 168121423 /nfs/dbraw/zinc/12/14/23/168121423.db2.gz WLQNGUGESDGRLB-OLZOCXBDSA-N 0 3 216.328 3.231 20 0 BGADHN CC1=CC[C@@H](N[C@@H](C)c2ccccn2)CC1 ZINC000294410818 168119821 /nfs/dbraw/zinc/11/98/21/168119821.db2.gz WLQNGUGESDGRLB-QWHCGFSZSA-N 0 3 216.328 3.231 20 0 BGADHN CC1=CC[C@H](N[C@@H](C)c2ccccn2)CC1 ZINC000294410824 168121247 /nfs/dbraw/zinc/12/12/47/168121247.db2.gz WLQNGUGESDGRLB-STQMWFEESA-N 0 3 216.328 3.231 20 0 BGADHN CC[C@H](N[C@@H](C)c1cnn(C)c1)c1ccsc1 ZINC000294416292 388400609 /nfs/dbraw/zinc/40/06/09/388400609.db2.gz NLESMXWGFMMRAH-GWCFXTLKSA-N 0 3 249.383 3.284 20 0 BGADHN CC[C@@H](N[C@@H](C)c1cnn(C)c1)c1ccsc1 ZINC000294416296 170908876 /nfs/dbraw/zinc/90/88/76/170908876.db2.gz NLESMXWGFMMRAH-GXFFZTMASA-N 0 3 249.383 3.284 20 0 BGADHN CC[C@H](N[C@H](C)c1cnn(C)c1)c1ccsc1 ZINC000294416303 384832066 /nfs/dbraw/zinc/83/20/66/384832066.db2.gz NLESMXWGFMMRAH-MFKMUULPSA-N 0 3 249.383 3.284 20 0 BGADHN CC[C@@H](N[C@H](C)c1cnn(C)c1)c1ccsc1 ZINC000294416304 346005658 /nfs/dbraw/zinc/00/56/58/346005658.db2.gz NLESMXWGFMMRAH-ZWNOBZJWSA-N 0 3 249.383 3.284 20 0 BGADHN COC1(CCN[C@H](C)c2ccc(C)o2)CCC1 ZINC000294419828 388400040 /nfs/dbraw/zinc/40/00/40/388400040.db2.gz DLOMKZJSYXTLPA-GFCCVEGCSA-N 0 3 237.343 3.198 20 0 BGADHN COC1(CCN[C@@H](C)c2ccc(C)o2)CCC1 ZINC000294419829 388400601 /nfs/dbraw/zinc/40/06/01/388400601.db2.gz DLOMKZJSYXTLPA-LBPRGKRZSA-N 0 3 237.343 3.198 20 0 BGADHN CC[C@H](CN[C@@H](CC)c1ccsc1)OC ZINC000294432210 188096445 /nfs/dbraw/zinc/09/64/45/188096445.db2.gz PQWSFMVJPPSHNI-NEPJUHHUSA-N 0 3 227.373 3.214 20 0 BGADHN CC[C@@H](NC[C@H](CC)OC)c1ccsc1 ZINC000294432216 388400245 /nfs/dbraw/zinc/40/02/45/388400245.db2.gz PQWSFMVJPPSHNI-NWDGAFQWSA-N 0 3 227.373 3.214 20 0 BGADHN CC[C@@H](CN[C@@H](CC)c1ccsc1)OC ZINC000294432219 388400351 /nfs/dbraw/zinc/40/03/51/388400351.db2.gz PQWSFMVJPPSHNI-RYUDHWBXSA-N 0 3 227.373 3.214 20 0 BGADHN CC[C@H](CN[C@H](CC)c1ccsc1)OC ZINC000294432224 388400369 /nfs/dbraw/zinc/40/03/69/388400369.db2.gz PQWSFMVJPPSHNI-VXGBXAGGSA-N 0 3 227.373 3.214 20 0 BGADHN CCCC[C@@H](CC)NCc1cnccc1OC ZINC000294436535 352377429 /nfs/dbraw/zinc/37/74/29/352377429.db2.gz UZBNKDFLLLRLJG-CYBMUJFWSA-N 0 3 236.359 3.149 20 0 BGADHN CCCC[C@H](CC)NCc1cnccc1OC ZINC000294436539 169000102 /nfs/dbraw/zinc/00/01/02/169000102.db2.gz UZBNKDFLLLRLJG-ZDUSSCGKSA-N 0 3 236.359 3.149 20 0 BGADHN CC[C@@H](NCc1cnn(C)c1C)c1ccsc1 ZINC000294437114 364777514 /nfs/dbraw/zinc/77/75/14/364777514.db2.gz QDPIVNAUHAAQFT-CYBMUJFWSA-N 0 3 249.383 3.031 20 0 BGADHN CC[C@H](NCc1cnn(C)c1C)c1ccsc1 ZINC000294437116 388399970 /nfs/dbraw/zinc/39/99/70/388399970.db2.gz QDPIVNAUHAAQFT-ZDUSSCGKSA-N 0 3 249.383 3.031 20 0 BGADHN CC[C@@H](NCCOCC1CC1)c1ccsc1 ZINC000294439395 384844575 /nfs/dbraw/zinc/84/45/75/384844575.db2.gz QSHXXUZRUXZGPI-CYBMUJFWSA-N 0 3 239.384 3.215 20 0 BGADHN CC[C@H](NCCOCC1CC1)c1ccsc1 ZINC000294439398 384844536 /nfs/dbraw/zinc/84/45/36/384844536.db2.gz QSHXXUZRUXZGPI-ZDUSSCGKSA-N 0 3 239.384 3.215 20 0 BGADHN CC[C@@H](NCc1cccnc1)c1ccsc1 ZINC000294448757 346030380 /nfs/dbraw/zinc/03/03/80/346030380.db2.gz ROWUMQXIDISRFU-CYBMUJFWSA-N 0 3 232.352 3.384 20 0 BGADHN CC[C@H](NCc1cccnc1)c1ccsc1 ZINC000294448761 384857178 /nfs/dbraw/zinc/85/71/78/384857178.db2.gz ROWUMQXIDISRFU-ZDUSSCGKSA-N 0 3 232.352 3.384 20 0 BGADHN CC[C@@H](NC[C@H]1CCCCO1)c1ccsc1 ZINC000294451017 346030207 /nfs/dbraw/zinc/03/02/07/346030207.db2.gz RWEAXTSCVVSLDH-CHWSQXEVSA-N 0 3 239.384 3.358 20 0 BGADHN CC[C@H](NC[C@H]1CCCCO1)c1ccsc1 ZINC000294451019 384859222 /nfs/dbraw/zinc/85/92/22/384859222.db2.gz RWEAXTSCVVSLDH-OLZOCXBDSA-N 0 3 239.384 3.358 20 0 BGADHN CC[C@@H](NC[C@@H]1CCCCO1)c1ccsc1 ZINC000294451020 384859890 /nfs/dbraw/zinc/85/98/90/384859890.db2.gz RWEAXTSCVVSLDH-QWHCGFSZSA-N 0 3 239.384 3.358 20 0 BGADHN CC[C@H](NC[C@@H]1CCCCO1)c1ccsc1 ZINC000294451022 384859269 /nfs/dbraw/zinc/85/92/69/384859269.db2.gz RWEAXTSCVVSLDH-STQMWFEESA-N 0 3 239.384 3.358 20 0 BGADHN CC[C@H](N[C@@H](C)Cn1cccn1)c1ccsc1 ZINC000294459596 388400099 /nfs/dbraw/zinc/40/00/99/388400099.db2.gz UDGNVENNBKTATF-AAEUAGOBSA-N 0 3 249.383 3.074 20 0 BGADHN CC[C@@H](N[C@H](C)Cn1cccn1)c1ccsc1 ZINC000294459600 364776962 /nfs/dbraw/zinc/77/69/62/364776962.db2.gz UDGNVENNBKTATF-DGCLKSJQSA-N 0 3 249.383 3.074 20 0 BGADHN CC[C@@H](N[C@@H](C)Cn1cccn1)c1ccsc1 ZINC000294459603 364777615 /nfs/dbraw/zinc/77/76/15/364777615.db2.gz UDGNVENNBKTATF-WCQYABFASA-N 0 3 249.383 3.074 20 0 BGADHN CC[C@H](N[C@H](C)Cn1cccn1)c1ccsc1 ZINC000294459606 388400015 /nfs/dbraw/zinc/40/00/15/388400015.db2.gz UDGNVENNBKTATF-YPMHNXCESA-N 0 3 249.383 3.074 20 0 BGADHN FCCN[C@H](Cc1ccccc1Cl)C1CC1 ZINC000294475841 384873755 /nfs/dbraw/zinc/87/37/55/384873755.db2.gz WYSCJNJXOABZCA-CYBMUJFWSA-N 0 3 241.737 3.220 20 0 BGADHN FCCN[C@@H](Cc1ccccc1Cl)C1CC1 ZINC000294475845 384875588 /nfs/dbraw/zinc/87/55/88/384875588.db2.gz WYSCJNJXOABZCA-ZDUSSCGKSA-N 0 3 241.737 3.220 20 0 BGADHN CCC1(NCc2nccn2C(F)F)CCCC1 ZINC000294482398 384880238 /nfs/dbraw/zinc/88/02/38/384880238.db2.gz XCVJXDUCYNCPBE-UHFFFAOYSA-N 0 3 243.301 3.091 20 0 BGADHN CCC1(NCc2csc(C)n2)CCCC1 ZINC000294489768 384890219 /nfs/dbraw/zinc/89/02/19/384890219.db2.gz YJFDOQBLQJVBEV-UHFFFAOYSA-N 0 3 224.373 3.264 20 0 BGADHN CC[C@H](COC)N[C@@H](CC)c1ccsc1 ZINC000294492052 388401119 /nfs/dbraw/zinc/40/11/19/388401119.db2.gz YLLGNDFGMYGZNF-NEPJUHHUSA-N 0 3 227.373 3.214 20 0 BGADHN CC[C@@H](N[C@@H](CC)COC)c1ccsc1 ZINC000294492054 388401436 /nfs/dbraw/zinc/40/14/36/388401436.db2.gz YLLGNDFGMYGZNF-NWDGAFQWSA-N 0 3 227.373 3.214 20 0 BGADHN CC[C@@H](COC)N[C@@H](CC)c1ccsc1 ZINC000294492056 388401579 /nfs/dbraw/zinc/40/15/79/388401579.db2.gz YLLGNDFGMYGZNF-RYUDHWBXSA-N 0 3 227.373 3.214 20 0 BGADHN CC[C@H](COC)N[C@H](CC)c1ccsc1 ZINC000294492058 388401053 /nfs/dbraw/zinc/40/10/53/388401053.db2.gz YLLGNDFGMYGZNF-VXGBXAGGSA-N 0 3 227.373 3.214 20 0 BGADHN CSCCCN(C)Cc1ccsc1C ZINC000294492799 385857933 /nfs/dbraw/zinc/85/79/33/385857933.db2.gz BEGHWTGQWLTSOO-UHFFFAOYSA-N 0 3 229.414 3.241 20 0 BGADHN CCN(Cc1ccccc1)Cc1ccncc1C ZINC000294522488 352379399 /nfs/dbraw/zinc/37/93/99/352379399.db2.gz FYBBWKVLQZFGAY-UHFFFAOYSA-N 0 3 240.350 3.412 20 0 BGADHN CCCCN(Cc1ccncc1C)C1CC1 ZINC000294538417 385865374 /nfs/dbraw/zinc/86/53/74/385865374.db2.gz ILTQAVICQWPCIM-UHFFFAOYSA-N 0 3 218.344 3.155 20 0 BGADHN Cc1cnccc1CN1CCC[C@H]1c1ccc[nH]1 ZINC000294540715 385864852 /nfs/dbraw/zinc/86/48/52/385864852.db2.gz IVDLQHSYTXRVCK-HNNXBMFYSA-N 0 3 241.338 3.055 20 0 BGADHN Cc1cnccc1CN1CCC[C@@H]1c1ccc[nH]1 ZINC000294540719 385864344 /nfs/dbraw/zinc/86/43/44/385864344.db2.gz IVDLQHSYTXRVCK-OAHLLOKOSA-N 0 3 241.338 3.055 20 0 BGADHN CO[C@]1(C)CCCN(Cc2ccsc2C)C1 ZINC000294567132 188392392 /nfs/dbraw/zinc/39/23/92/188392392.db2.gz GFJKUKINKBEIFV-CYBMUJFWSA-N 0 3 239.384 3.057 20 0 BGADHN CO[C@@]1(C)CCCN(Cc2ccsc2C)C1 ZINC000294567150 385869350 /nfs/dbraw/zinc/86/93/50/385869350.db2.gz GFJKUKINKBEIFV-ZDUSSCGKSA-N 0 3 239.384 3.057 20 0 BGADHN Cc1cnccc1CN(CCC(C)C)C1CC1 ZINC000294578072 488155397 /nfs/dbraw/zinc/15/53/97/488155397.db2.gz PQESPFYCNRUXSU-UHFFFAOYSA-N 0 3 232.371 3.401 20 0 BGADHN Cc1cnccc1CN(C)CCc1ccccc1 ZINC000294591549 385872069 /nfs/dbraw/zinc/87/20/69/385872069.db2.gz SDOHTLJZHUZAEO-UHFFFAOYSA-N 0 3 240.350 3.065 20 0 BGADHN Cc1cccc(CN(C)[C@@H]2CCSC2)c1F ZINC000294603289 179069928 /nfs/dbraw/zinc/06/99/28/179069928.db2.gz UQUXVDCFIQPVNJ-GFCCVEGCSA-N 0 3 239.359 3.071 20 0 BGADHN Cc1cccc(CN(C)[C@H]2CCSC2)c1F ZINC000294603291 179071250 /nfs/dbraw/zinc/07/12/50/179071250.db2.gz UQUXVDCFIQPVNJ-LBPRGKRZSA-N 0 3 239.359 3.071 20 0 BGADHN Cc1cc(CN(C)CCCOC(C)C)cs1 ZINC000294633530 385876691 /nfs/dbraw/zinc/87/66/91/385876691.db2.gz AOTUICZPYDIWKK-UHFFFAOYSA-N 0 3 241.400 3.303 20 0 BGADHN CC(F)(F)CCCNCc1ccccc1F ZINC000294657088 167814537 /nfs/dbraw/zinc/81/45/37/167814537.db2.gz ACYHAPNXQPMXPZ-UHFFFAOYSA-N 0 3 231.261 3.351 20 0 BGADHN C[C@@H]1CCCC[C@H]1NCc1cc(F)ncc1F ZINC000294662214 176088255 /nfs/dbraw/zinc/08/82/55/176088255.db2.gz CQDSDZRVCTXAQB-BXKDBHETSA-N 0 3 240.297 3.028 20 0 BGADHN C[C@H]1CCCC[C@@H]1NCc1cc(F)ncc1F ZINC000294662216 177082823 /nfs/dbraw/zinc/08/28/23/177082823.db2.gz CQDSDZRVCTXAQB-CABZTGNLSA-N 0 3 240.297 3.028 20 0 BGADHN C[C@H]1CCCC[C@H]1NCc1cc(F)ncc1F ZINC000294662220 177088580 /nfs/dbraw/zinc/08/85/80/177088580.db2.gz CQDSDZRVCTXAQB-JOYOIKCWSA-N 0 3 240.297 3.028 20 0 BGADHN C[C@@H]1CCCC[C@@H]1NCc1cc(F)ncc1F ZINC000294662224 176080588 /nfs/dbraw/zinc/08/05/88/176080588.db2.gz CQDSDZRVCTXAQB-SKDRFNHKSA-N 0 3 240.297 3.028 20 0 BGADHN CCC1(NCc2ccc(Cl)s2)CC1 ZINC000294662483 385095867 /nfs/dbraw/zinc/09/58/67/385095867.db2.gz AGTLKPDQKQJRRG-UHFFFAOYSA-N 0 3 215.749 3.434 20 0 BGADHN Cc1cc(CN(C)CCc2ccccn2)cs1 ZINC000294665639 385879363 /nfs/dbraw/zinc/87/93/63/385879363.db2.gz AARMZTDLXSPCCA-UHFFFAOYSA-N 0 3 246.379 3.126 20 0 BGADHN COC1(C)CCN(Cc2csc(C)c2)CC1 ZINC000294667658 173977989 /nfs/dbraw/zinc/97/79/89/173977989.db2.gz AEQNYASRSHYMQK-UHFFFAOYSA-N 0 3 239.384 3.057 20 0 BGADHN CCC[C@@H](C)CNCc1cc(F)cnc1Cl ZINC000294668665 169360026 /nfs/dbraw/zinc/36/00/26/169360026.db2.gz AHXPUEDUKVPNHI-SECBINFHSA-N 0 3 244.741 3.400 20 0 BGADHN CCC[C@H](C)CNCc1cc(F)cnc1Cl ZINC000294668671 385880509 /nfs/dbraw/zinc/88/05/09/385880509.db2.gz AHXPUEDUKVPNHI-VIFPVBQESA-N 0 3 244.741 3.400 20 0 BGADHN CC(C)n1nccc1CNCC1=CCCCC1 ZINC000294668973 385101225 /nfs/dbraw/zinc/10/12/25/385101225.db2.gz AJYDDXPXRDUPSZ-UHFFFAOYSA-N 0 3 233.359 3.054 20 0 BGADHN CCC1(NCc2cnc(-c3ccco3)s2)CC1 ZINC000294677518 385882202 /nfs/dbraw/zinc/88/22/02/385882202.db2.gz BIBMSDYUWLEITA-UHFFFAOYSA-N 0 3 248.351 3.435 20 0 BGADHN Cc1cnc(CNCCC2=CCCCC2)s1 ZINC000294682605 385115279 /nfs/dbraw/zinc/11/52/79/385115279.db2.gz FFYZQPQACYNKLV-UHFFFAOYSA-N 0 3 236.384 3.432 20 0 BGADHN CCN(Cc1cc(F)ncc1F)[C@@H](C)C(C)C ZINC000294695980 352383215 /nfs/dbraw/zinc/38/32/15/352383215.db2.gz DWNDDDXBNRGSHE-JTQLQIEISA-N 0 3 242.313 3.226 20 0 BGADHN CCN(Cc1cc(F)ncc1F)[C@H](C)C(C)C ZINC000294695992 352383088 /nfs/dbraw/zinc/38/30/88/352383088.db2.gz DWNDDDXBNRGSHE-SNVBAGLBSA-N 0 3 242.313 3.226 20 0 BGADHN Fc1cc(CNC2CCCCCC2)c(F)cn1 ZINC000294696658 385883996 /nfs/dbraw/zinc/88/39/96/385883996.db2.gz GHILFSIABSZDRC-UHFFFAOYSA-N 0 3 240.297 3.172 20 0 BGADHN CCC1(NCc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000294719996 385887993 /nfs/dbraw/zinc/88/79/93/385887993.db2.gz FIJYMIOOACNWOP-UHFFFAOYSA-N 0 3 241.338 3.109 20 0 BGADHN CCC1(NCc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000294719996 385887989 /nfs/dbraw/zinc/88/79/89/385887989.db2.gz FIJYMIOOACNWOP-UHFFFAOYSA-N 0 3 241.338 3.109 20 0 BGADHN CCn1nc(CNC2(CC)CC2)c2ccccc21 ZINC000294725589 187241939 /nfs/dbraw/zinc/24/19/39/187241939.db2.gz FXKNYPBPVIGLOC-UHFFFAOYSA-N 0 3 243.354 3.088 20 0 BGADHN Cc1sccc1CN1CCS[C@@H](C)CC1 ZINC000294726526 385888494 /nfs/dbraw/zinc/88/84/94/385888494.db2.gz PRQYDRZEAWNCMB-JTQLQIEISA-N 0 3 241.425 3.384 20 0 BGADHN Cc1sccc1CN1CCS[C@H](C)CC1 ZINC000294726535 385887738 /nfs/dbraw/zinc/88/77/38/385887738.db2.gz PRQYDRZEAWNCMB-SNVBAGLBSA-N 0 3 241.425 3.384 20 0 BGADHN Cc1cnc(CNCCc2ccccc2C)s1 ZINC000294726566 385147601 /nfs/dbraw/zinc/14/76/01/385147601.db2.gz IMSYFMLSNHINHG-UHFFFAOYSA-N 0 3 246.379 3.092 20 0 BGADHN CCC1(NCc2ccnc(Cl)c2Cl)CC1 ZINC000294727324 385888457 /nfs/dbraw/zinc/88/84/57/385888457.db2.gz FZCFHLJZDICNOJ-UHFFFAOYSA-N 0 3 245.153 3.421 20 0 BGADHN CC(C)CC[C@H](C)NCc1cc(F)ncc1F ZINC000294743165 352383563 /nfs/dbraw/zinc/38/35/63/352383563.db2.gz KANLUNRIVRDTEY-JTQLQIEISA-N 0 3 242.313 3.274 20 0 BGADHN CC(C)CC[C@@H](C)NCc1cc(F)ncc1F ZINC000294743170 385889752 /nfs/dbraw/zinc/88/97/52/385889752.db2.gz KANLUNRIVRDTEY-SNVBAGLBSA-N 0 3 242.313 3.274 20 0 BGADHN CCC1(NCc2ccc(Br)o2)CC1 ZINC000294744805 385163035 /nfs/dbraw/zinc/16/30/35/385163035.db2.gz HPKZZAMTWKUMFB-UHFFFAOYSA-N 0 3 244.132 3.074 20 0 BGADHN CCC1(NCc2cc3ccccc3o2)CC1 ZINC000294751204 385169337 /nfs/dbraw/zinc/16/93/37/385169337.db2.gz IETFOLSRYLTYRJ-UHFFFAOYSA-N 0 3 215.296 3.465 20 0 BGADHN CC1(C)OCC[C@@H]1NCc1cc(Cl)cs1 ZINC000294754731 188269720 /nfs/dbraw/zinc/26/97/20/188269720.db2.gz IMFZKDHUICFZBP-JTQLQIEISA-N 0 3 245.775 3.059 20 0 BGADHN CC1(C)OCC[C@H]1NCc1cc(Cl)cs1 ZINC000294754733 388404499 /nfs/dbraw/zinc/40/44/99/388404499.db2.gz IMFZKDHUICFZBP-SNVBAGLBSA-N 0 3 245.775 3.059 20 0 BGADHN CC[C@@H]1CN(Cc2ccsc2C)CCCO1 ZINC000294758280 171092661 /nfs/dbraw/zinc/09/26/61/171092661.db2.gz RZSVYMLKAQZVEU-CYBMUJFWSA-N 0 3 239.384 3.057 20 0 BGADHN CC[C@H]1CN(Cc2ccsc2C)CCCO1 ZINC000294758288 385892373 /nfs/dbraw/zinc/89/23/73/385892373.db2.gz RZSVYMLKAQZVEU-ZDUSSCGKSA-N 0 3 239.384 3.057 20 0 BGADHN C[C@H]1CCC[C@@H](NCc2cc(F)ncc2F)C1 ZINC000294758818 177122855 /nfs/dbraw/zinc/12/28/55/177122855.db2.gz LMDLVIABSXNTOD-GXSJLCMTSA-N 0 3 240.297 3.028 20 0 BGADHN C[C@@H]1CCC[C@H](NCc2cc(F)ncc2F)C1 ZINC000294758820 176144593 /nfs/dbraw/zinc/14/45/93/176144593.db2.gz LMDLVIABSXNTOD-KOLCDFICSA-N 0 3 240.297 3.028 20 0 BGADHN C[C@@H]1CCC[C@@H](NCc2cc(F)ncc2F)C1 ZINC000294758822 176123127 /nfs/dbraw/zinc/12/31/27/176123127.db2.gz LMDLVIABSXNTOD-MWLCHTKSSA-N 0 3 240.297 3.028 20 0 BGADHN C[C@H]1CCC[C@H](NCc2cc(F)ncc2F)C1 ZINC000294758825 177137221 /nfs/dbraw/zinc/13/72/21/177137221.db2.gz LMDLVIABSXNTOD-ONGXEEELSA-N 0 3 240.297 3.028 20 0 BGADHN CC[C@@H](C)CNCc1cccc(C(F)(F)F)n1 ZINC000294759538 385891031 /nfs/dbraw/zinc/89/10/31/385891031.db2.gz JAACJRGHYVRWRV-SECBINFHSA-N 0 3 246.276 3.236 20 0 BGADHN CC[C@H](C)CNCc1cccc(C(F)(F)F)n1 ZINC000294759541 171285796 /nfs/dbraw/zinc/28/57/96/171285796.db2.gz JAACJRGHYVRWRV-VIFPVBQESA-N 0 3 246.276 3.236 20 0 BGADHN CCC1(NCc2sccc2Cl)CC1 ZINC000294761115 385181536 /nfs/dbraw/zinc/18/15/36/385181536.db2.gz JBVXHDDUWHPLRL-UHFFFAOYSA-N 0 3 215.749 3.434 20 0 BGADHN C[C@@H](N[C@H]1CCOC1)c1cccc(C2CC2)c1 ZINC000294762372 385892049 /nfs/dbraw/zinc/89/20/49/385892049.db2.gz MOJMHYXYGFTAPM-ABAIWWIYSA-N 0 3 231.339 3.004 20 0 BGADHN C[C@@H](N[C@@H]1CCOC1)c1cccc(C2CC2)c1 ZINC000294762384 385891429 /nfs/dbraw/zinc/89/14/29/385891429.db2.gz MOJMHYXYGFTAPM-IAQYHMDHSA-N 0 3 231.339 3.004 20 0 BGADHN C[C@H](N[C@H]1CCOC1)c1cccc(C2CC2)c1 ZINC000294762395 385891862 /nfs/dbraw/zinc/89/18/62/385891862.db2.gz MOJMHYXYGFTAPM-NHYWBVRUSA-N 0 3 231.339 3.004 20 0 BGADHN C[C@H](N[C@@H]1CCOC1)c1cccc(C2CC2)c1 ZINC000294762406 385891089 /nfs/dbraw/zinc/89/10/89/385891089.db2.gz MOJMHYXYGFTAPM-XHDPSFHLSA-N 0 3 231.339 3.004 20 0 BGADHN CCC1(NCc2cn3cc(Cl)ccc3n2)CC1 ZINC000294762782 168495905 /nfs/dbraw/zinc/49/59/05/168495905.db2.gz JGZKJQXHSCZEOE-UHFFFAOYSA-N 0 3 249.745 3.020 20 0 BGADHN Cc1cc(CN(C)C[C@H]2CCCCO2)cs1 ZINC000294763875 385894349 /nfs/dbraw/zinc/89/43/49/385894349.db2.gz IYLMXQFYRIYJQU-CYBMUJFWSA-N 0 3 239.384 3.057 20 0 BGADHN Cc1cc(CN(C)C[C@@H]2CCCCO2)cs1 ZINC000294763878 385894535 /nfs/dbraw/zinc/89/45/35/385894535.db2.gz IYLMXQFYRIYJQU-ZDUSSCGKSA-N 0 3 239.384 3.057 20 0 BGADHN CC1(C)OCC[C@@H]1NCc1sccc1Cl ZINC000294768178 388404821 /nfs/dbraw/zinc/40/48/21/388404821.db2.gz JVWGFWQDVJFCJV-JTQLQIEISA-N 0 3 245.775 3.059 20 0 BGADHN CC1(C)OCC[C@H]1NCc1sccc1Cl ZINC000294768179 388404291 /nfs/dbraw/zinc/40/42/91/388404291.db2.gz JVWGFWQDVJFCJV-SNVBAGLBSA-N 0 3 245.775 3.059 20 0 BGADHN CC(=O)c1ccc(CN(C(C)C)C2CC2)cc1 ZINC000294782296 385895148 /nfs/dbraw/zinc/89/51/48/385895148.db2.gz APKAISDKAGFHHK-UHFFFAOYSA-N 0 3 231.339 3.262 20 0 BGADHN CCCN(Cc1cc(F)ncc1F)CC(C)C ZINC000294787092 169174106 /nfs/dbraw/zinc/17/41/06/169174106.db2.gz KLBDPRUSMQBJML-UHFFFAOYSA-N 0 3 242.313 3.228 20 0 BGADHN Fc1cc(CNCCC2CCCC2)c(F)cn1 ZINC000294789384 385896066 /nfs/dbraw/zinc/89/60/66/385896066.db2.gz OGUJURMUPCXOQV-UHFFFAOYSA-N 0 3 240.297 3.030 20 0 BGADHN C/C(=C\c1ccccc1)CN(C)CC(C)(C)CO ZINC000294796935 188038609 /nfs/dbraw/zinc/03/86/09/188038609.db2.gz MLVFXEHLNAQSRL-GXDHUFHOSA-N 0 3 247.382 3.040 20 0 BGADHN Cc1cnc(CNCCC2CCCC2)s1 ZINC000294798421 385897172 /nfs/dbraw/zinc/89/71/72/385897172.db2.gz PFBZYBUUAKWGPY-UHFFFAOYSA-N 0 3 224.373 3.121 20 0 BGADHN CC1(NCc2cc(F)ncc2F)CCCCC1 ZINC000294803339 168063055 /nfs/dbraw/zinc/06/30/55/168063055.db2.gz PQXWQFVKLHYNSL-UHFFFAOYSA-N 0 3 240.297 3.172 20 0 BGADHN Cc1cnccc1CN1CCC[C@@H]2CCC[C@H]21 ZINC000294806153 385897981 /nfs/dbraw/zinc/89/79/81/385897981.db2.gz LRQFRFLWHHLVBA-DZGCQCFKSA-N 0 3 230.355 3.155 20 0 BGADHN Cc1cnccc1CN1CCC[C@H]2CCC[C@@H]21 ZINC000294806158 385898578 /nfs/dbraw/zinc/89/85/78/385898578.db2.gz LRQFRFLWHHLVBA-HIFRSBDPSA-N 0 3 230.355 3.155 20 0 BGADHN Cc1cnccc1CN1CCC[C@H]2CCC[C@H]21 ZINC000294806162 385898311 /nfs/dbraw/zinc/89/83/11/385898311.db2.gz LRQFRFLWHHLVBA-UKRRQHHQSA-N 0 3 230.355 3.155 20 0 BGADHN Cc1cnccc1CN1CCC[C@@H]2CCC[C@@H]21 ZINC000294806168 385898342 /nfs/dbraw/zinc/89/83/42/385898342.db2.gz LRQFRFLWHHLVBA-ZFWWWQNUSA-N 0 3 230.355 3.155 20 0 BGADHN Cc1cnc(CNC2(C)CCCCC2)s1 ZINC000294807332 385230141 /nfs/dbraw/zinc/23/01/41/385230141.db2.gz QAGWHWXJIIZQHB-UHFFFAOYSA-N 0 3 224.373 3.264 20 0 BGADHN Fc1cc(CNCC2CCCCC2)c(F)cn1 ZINC000294813721 385900632 /nfs/dbraw/zinc/90/06/32/385900632.db2.gz QPVXSDOJTWWCDV-UHFFFAOYSA-N 0 3 240.297 3.030 20 0 BGADHN CCC1(NCc2cc(F)c(F)c(F)c2)CC1 ZINC000294826723 385244807 /nfs/dbraw/zinc/24/48/07/385244807.db2.gz PNJMYYIOBNVNTK-UHFFFAOYSA-N 0 3 229.245 3.136 20 0 BGADHN CCC(CC)NCc1cccc(C(F)(F)F)n1 ZINC000294826755 168390005 /nfs/dbraw/zinc/39/00/05/168390005.db2.gz POHBIEBDEFBSPG-UHFFFAOYSA-N 0 3 246.276 3.379 20 0 BGADHN CC1(C)OCC[C@@H]1NCc1coc2ccccc12 ZINC000294838089 188269378 /nfs/dbraw/zinc/26/93/78/188269378.db2.gz ROYIEXMYQPSHNG-AWEZNQCLSA-N 0 3 245.322 3.090 20 0 BGADHN CC1(C)OCC[C@H]1NCc1coc2ccccc12 ZINC000294838093 187241610 /nfs/dbraw/zinc/24/16/10/187241610.db2.gz ROYIEXMYQPSHNG-CQSZACIVSA-N 0 3 245.322 3.090 20 0 BGADHN CCN(Cc1csc(C)c1)C[C@H]1CCCO1 ZINC000294842673 352385658 /nfs/dbraw/zinc/38/56/58/352385658.db2.gz OIQYBMXLTWQCGV-CYBMUJFWSA-N 0 3 239.384 3.057 20 0 BGADHN CCN(Cc1csc(C)c1)C[C@@H]1CCCO1 ZINC000294842676 352385715 /nfs/dbraw/zinc/38/57/15/352385715.db2.gz OIQYBMXLTWQCGV-ZDUSSCGKSA-N 0 3 239.384 3.057 20 0 BGADHN Cc1cc(CN[C@@H](C)[C@@H]2CCCCO2)cs1 ZINC000294845717 178028219 /nfs/dbraw/zinc/02/82/19/178028219.db2.gz XGUOUPBIEQHBHE-AAEUAGOBSA-N 0 3 239.384 3.104 20 0 BGADHN Cc1cc(CN[C@H](C)[C@H]2CCCCO2)cs1 ZINC000294845739 178037657 /nfs/dbraw/zinc/03/76/57/178037657.db2.gz XGUOUPBIEQHBHE-DGCLKSJQSA-N 0 3 239.384 3.104 20 0 BGADHN Cc1cc(CN[C@@H](C)[C@H]2CCCCO2)cs1 ZINC000294845761 178031534 /nfs/dbraw/zinc/03/15/34/178031534.db2.gz XGUOUPBIEQHBHE-WCQYABFASA-N 0 3 239.384 3.104 20 0 BGADHN Cc1cc(CN[C@H](C)[C@@H]2CCCCO2)cs1 ZINC000294845781 178037119 /nfs/dbraw/zinc/03/71/19/178037119.db2.gz XGUOUPBIEQHBHE-YPMHNXCESA-N 0 3 239.384 3.104 20 0 BGADHN Cc1sccc1CN1CCC=C(C)C1 ZINC000294848987 168100033 /nfs/dbraw/zinc/10/00/33/168100033.db2.gz ZSUNFLPNPSJCJG-UHFFFAOYSA-N 0 3 207.342 3.209 20 0 BGADHN C[C@H](CC(C)(C)C)NCc1cn2ccccc2n1 ZINC000294864265 385273651 /nfs/dbraw/zinc/27/36/51/385273651.db2.gz WBYYUSQLQFXSQS-GFCCVEGCSA-N 0 3 245.370 3.249 20 0 BGADHN C[C@@H](CC(C)(C)C)NCc1cn2ccccc2n1 ZINC000294864267 385276311 /nfs/dbraw/zinc/27/63/11/385276311.db2.gz WBYYUSQLQFXSQS-LBPRGKRZSA-N 0 3 245.370 3.249 20 0 BGADHN FC(F)(F)c1cccc(CNC2CCCC2)n1 ZINC000294868515 385906882 /nfs/dbraw/zinc/90/68/82/385906882.db2.gz ULJILAKUCXEMOA-UHFFFAOYSA-N 0 3 244.260 3.133 20 0 BGADHN CCCCC[C@H](C)NCc1cc(F)ncc1F ZINC000294871517 385907480 /nfs/dbraw/zinc/90/74/80/385907480.db2.gz WTDIATPIOQMBKW-JTQLQIEISA-N 0 3 242.313 3.418 20 0 BGADHN CCCCC[C@@H](C)NCc1cc(F)ncc1F ZINC000294871521 385907943 /nfs/dbraw/zinc/90/79/43/385907943.db2.gz WTDIATPIOQMBKW-SNVBAGLBSA-N 0 3 242.313 3.418 20 0 BGADHN Cc1ccncc1[C@H](C)NCCC(C)(F)F ZINC000294872717 385907517 /nfs/dbraw/zinc/90/75/17/385907517.db2.gz BFFHORRKMOPKIM-JTQLQIEISA-N 0 3 228.286 3.086 20 0 BGADHN Cc1ccncc1[C@@H](C)NCCC(C)(F)F ZINC000294872722 385907831 /nfs/dbraw/zinc/90/78/31/385907831.db2.gz BFFHORRKMOPKIM-SNVBAGLBSA-N 0 3 228.286 3.086 20 0 BGADHN CC1=CCN(CCCC(=O)c2ccccc2)CC1 ZINC000294872930 168110477 /nfs/dbraw/zinc/11/04/77/168110477.db2.gz DKPHMJZFXKSCJX-UHFFFAOYSA-N 0 3 243.350 3.302 20 0 BGADHN CCC1(NCc2cc(F)c(F)cc2F)CC1 ZINC000294875592 385285698 /nfs/dbraw/zinc/28/56/98/385285698.db2.gz VELWRHHNPKPNDG-UHFFFAOYSA-N 0 3 229.245 3.136 20 0 BGADHN CN1CCC(Nc2ccc3c(c2)CCCC3)CC1 ZINC000294882989 188097024 /nfs/dbraw/zinc/09/70/24/188097024.db2.gz VSTCLUSBMKRKAT-UHFFFAOYSA-N 0 3 244.382 3.072 20 0 BGADHN CC(C)=CCN1CCC(F)(c2ccccn2)CC1 ZINC000294885418 385909545 /nfs/dbraw/zinc/90/95/45/385909545.db2.gz ANTDKFDSBOODQW-UHFFFAOYSA-N 0 3 248.345 3.308 20 0 BGADHN CCC1(NCc2cc3cc(OC)ccc3o2)CC1 ZINC000294887936 385908777 /nfs/dbraw/zinc/90/87/77/385908777.db2.gz WFLAWMVEVRKHKN-UHFFFAOYSA-N 0 3 245.322 3.474 20 0 BGADHN Cc1cc(N2C[C@@H](F)[C@@H](F)C2)c2ccccc2n1 ZINC000294891478 178122606 /nfs/dbraw/zinc/12/26/06/178122606.db2.gz DAHAPPQIBMCNNC-TXEJJXNPSA-N 0 3 248.276 3.039 20 0 BGADHN C[C@@H](CCO)CCNc1ccnc2ccccc21 ZINC000294894219 385300067 /nfs/dbraw/zinc/30/00/67/385300067.db2.gz HKAFZMWZAURSCY-GFCCVEGCSA-N 0 3 244.338 3.055 20 0 BGADHN C[C@H](CCO)CCNc1ccnc2ccccc21 ZINC000294894220 385300248 /nfs/dbraw/zinc/30/02/48/385300248.db2.gz HKAFZMWZAURSCY-LBPRGKRZSA-N 0 3 244.338 3.055 20 0 BGADHN CC[C@H](N[C@@H](C)c1cc(C)c(C)o1)C(C)(C)O ZINC000294895000 385910934 /nfs/dbraw/zinc/91/09/34/385910934.db2.gz FGCPOOBEISIXGS-GWCFXTLKSA-N 0 3 239.359 3.097 20 0 BGADHN CC[C@@H](N[C@@H](C)c1cc(C)c(C)o1)C(C)(C)O ZINC000294895008 352387594 /nfs/dbraw/zinc/38/75/94/352387594.db2.gz FGCPOOBEISIXGS-GXFFZTMASA-N 0 3 239.359 3.097 20 0 BGADHN CC[C@H](N[C@H](C)c1cc(C)c(C)o1)C(C)(C)O ZINC000294895016 385912011 /nfs/dbraw/zinc/91/20/11/385912011.db2.gz FGCPOOBEISIXGS-MFKMUULPSA-N 0 3 239.359 3.097 20 0 BGADHN CC[C@@H](N[C@H](C)c1cc(C)c(C)o1)C(C)(C)O ZINC000294896432 352387639 /nfs/dbraw/zinc/38/76/39/352387639.db2.gz FGCPOOBEISIXGS-ZWNOBZJWSA-N 0 3 239.359 3.097 20 0 BGADHN Cc1nccnc1[C@@H](C)NC[C@H]1CCCC1(C)C ZINC000294896626 180281121 /nfs/dbraw/zinc/28/11/21/180281121.db2.gz FHPQDWFFEPMZFT-CHWSQXEVSA-N 0 3 247.386 3.262 20 0 BGADHN Cc1nccnc1[C@@H](C)NC[C@@H]1CCCC1(C)C ZINC000294896629 180282180 /nfs/dbraw/zinc/28/21/80/180282180.db2.gz FHPQDWFFEPMZFT-OLZOCXBDSA-N 0 3 247.386 3.262 20 0 BGADHN Cc1nccnc1[C@H](C)NC[C@H]1CCCC1(C)C ZINC000294896632 180283612 /nfs/dbraw/zinc/28/36/12/180283612.db2.gz FHPQDWFFEPMZFT-QWHCGFSZSA-N 0 3 247.386 3.262 20 0 BGADHN Cc1nccnc1[C@H](C)NC[C@@H]1CCCC1(C)C ZINC000294896635 180283865 /nfs/dbraw/zinc/28/38/65/180283865.db2.gz FHPQDWFFEPMZFT-STQMWFEESA-N 0 3 247.386 3.262 20 0 BGADHN CC[C@H](N[C@@H](C)c1cc(C)oc1C)C(C)(C)O ZINC000294896699 388405314 /nfs/dbraw/zinc/40/53/14/388405314.db2.gz FIJKUWDFOCQTAN-GWCFXTLKSA-N 0 3 239.359 3.097 20 0 BGADHN CC[C@@H](N[C@@H](C)c1cc(C)oc1C)C(C)(C)O ZINC000294896702 364778940 /nfs/dbraw/zinc/77/89/40/364778940.db2.gz FIJKUWDFOCQTAN-GXFFZTMASA-N 0 3 239.359 3.097 20 0 BGADHN CC[C@H](N[C@H](C)c1cc(C)oc1C)C(C)(C)O ZINC000294896703 388405942 /nfs/dbraw/zinc/40/59/42/388405942.db2.gz FIJKUWDFOCQTAN-MFKMUULPSA-N 0 3 239.359 3.097 20 0 BGADHN CC[C@@H](N[C@H](C)c1cc(C)oc1C)C(C)(C)O ZINC000294896707 364779213 /nfs/dbraw/zinc/77/92/13/364779213.db2.gz FIJKUWDFOCQTAN-ZWNOBZJWSA-N 0 3 239.359 3.097 20 0 BGADHN CC(=O)c1cccc(CN2CCC(C)(C)C2)c1 ZINC000294897902 385912311 /nfs/dbraw/zinc/91/23/11/385912311.db2.gz GTSWMLIHWHQWMN-UHFFFAOYSA-N 0 3 231.339 3.121 20 0 BGADHN C[C@H](CCCO)CNc1ccnc2ccccc21 ZINC000294903168 385304213 /nfs/dbraw/zinc/30/42/13/385304213.db2.gz HIIYWWQMQSHOQE-GFCCVEGCSA-N 0 3 244.338 3.055 20 0 BGADHN C[C@@H](CCCO)CNc1ccnc2ccccc21 ZINC000294903171 385305863 /nfs/dbraw/zinc/30/58/63/385305863.db2.gz HIIYWWQMQSHOQE-LBPRGKRZSA-N 0 3 244.338 3.055 20 0 BGADHN CSCC1CCC(NCc2ccco2)CC1 ZINC000294909652 385308409 /nfs/dbraw/zinc/30/84/09/385308409.db2.gz ZZVBEVYGZGVRHT-UHFFFAOYSA-N 0 3 239.384 3.291 20 0 BGADHN CCSCC[C@@H](C)NCc1ncc(C)s1 ZINC000294912822 385304198 /nfs/dbraw/zinc/30/41/98/385304198.db2.gz AHQKBJUREWFNKK-SECBINFHSA-N 0 3 244.429 3.073 20 0 BGADHN CCSCC[C@H](C)NCc1ncc(C)s1 ZINC000294912824 385305559 /nfs/dbraw/zinc/30/55/59/385305559.db2.gz AHQKBJUREWFNKK-VIFPVBQESA-N 0 3 244.429 3.073 20 0 BGADHN CC(C)[C@@H](C)NCc1cccc(C(F)(F)F)n1 ZINC000294913912 167382669 /nfs/dbraw/zinc/38/26/69/167382669.db2.gz YFUZQPYOQIQWMU-SECBINFHSA-N 0 3 246.276 3.235 20 0 BGADHN CC(C)[C@H](C)NCc1cccc(C(F)(F)F)n1 ZINC000294913913 385914826 /nfs/dbraw/zinc/91/48/26/385914826.db2.gz YFUZQPYOQIQWMU-VIFPVBQESA-N 0 3 246.276 3.235 20 0 BGADHN CC/C=C/CNCc1ccc2ncccc2c1 ZINC000294916769 385310886 /nfs/dbraw/zinc/31/08/86/385310886.db2.gz AOSXDAUHHGBRHX-ONEGZZNKSA-N 0 3 226.323 3.291 20 0 BGADHN Cc1cc(CN(C)CCc2ccncc2)cs1 ZINC000294923452 385916226 /nfs/dbraw/zinc/91/62/26/385916226.db2.gz BQMDKYMGHUQLTO-UHFFFAOYSA-N 0 3 246.379 3.126 20 0 BGADHN CC(=O)c1ccc(CN(C)CCC2CC2)cc1 ZINC000294926787 187351530 /nfs/dbraw/zinc/35/15/30/187351530.db2.gz JTTSGFOJOOITRX-UHFFFAOYSA-N 0 3 231.339 3.121 20 0 BGADHN CS[C@@H]1CCN(Cc2cccc(C)c2F)C1 ZINC000294933756 385920088 /nfs/dbraw/zinc/92/00/88/385920088.db2.gz BTLHAGUCTALIJM-GFCCVEGCSA-N 0 3 239.359 3.071 20 0 BGADHN CS[C@H]1CCN(Cc2cccc(C)c2F)C1 ZINC000294933759 385918795 /nfs/dbraw/zinc/91/87/95/385918795.db2.gz BTLHAGUCTALIJM-LBPRGKRZSA-N 0 3 239.359 3.071 20 0 BGADHN CS[C@@H]1CCN(Cc2ccccc2Cl)C1 ZINC000294937833 385921624 /nfs/dbraw/zinc/92/16/24/385921624.db2.gz BZOCOYIMYISJSW-LLVKDONJSA-N 0 3 241.787 3.277 20 0 BGADHN CS[C@H]1CCN(Cc2ccccc2Cl)C1 ZINC000294937835 385921900 /nfs/dbraw/zinc/92/19/00/385921900.db2.gz BZOCOYIMYISJSW-NSHDSACASA-N 0 3 241.787 3.277 20 0 BGADHN C[C@@H](NCC1=CCCCC1)c1ccco1 ZINC000294942941 385322644 /nfs/dbraw/zinc/32/26/44/385322644.db2.gz IKXRTBJIGHFJEW-LLVKDONJSA-N 0 3 205.301 3.431 20 0 BGADHN C[C@H](NCC1=CCCCC1)c1ccco1 ZINC000294942945 385322442 /nfs/dbraw/zinc/32/24/42/385322442.db2.gz IKXRTBJIGHFJEW-NSHDSACASA-N 0 3 205.301 3.431 20 0 BGADHN FCC1CCN(CCc2ccccc2F)CC1 ZINC000294946104 385923958 /nfs/dbraw/zinc/92/39/58/385923958.db2.gz CRRMNXMXZSXDEF-UHFFFAOYSA-N 0 3 239.309 3.050 20 0 BGADHN CC[C@H](NCc1ccncc1C)c1ccncc1 ZINC000294946987 385925738 /nfs/dbraw/zinc/92/57/38/385925738.db2.gz CAPUBRZZLJUZGZ-HNNXBMFYSA-N 0 3 241.338 3.026 20 0 BGADHN CC[C@@H](NCc1ccncc1C)c1ccncc1 ZINC000294946988 352389535 /nfs/dbraw/zinc/38/95/35/352389535.db2.gz CAPUBRZZLJUZGZ-OAHLLOKOSA-N 0 3 241.338 3.026 20 0 BGADHN CC(C)(CO)CCNc1ccnc2ccccc21 ZINC000294948432 385325243 /nfs/dbraw/zinc/32/52/43/385325243.db2.gz LVQIXHXRVZCKEI-UHFFFAOYSA-N 0 3 244.338 3.055 20 0 BGADHN CCC1(NCc2ncc(C)s2)CCCC1 ZINC000294949596 388404705 /nfs/dbraw/zinc/40/47/05/388404705.db2.gz CXYQFVQTOSEFPB-UHFFFAOYSA-N 0 3 224.373 3.264 20 0 BGADHN C[C@H](CC(C)(C)O)Nc1ccnc2ccccc21 ZINC000294951743 385332994 /nfs/dbraw/zinc/33/29/94/385332994.db2.gz JCAHGWUAZLQZJI-LLVKDONJSA-N 0 3 244.338 3.196 20 0 BGADHN C[C@@H](CC(C)(C)O)Nc1ccnc2ccccc21 ZINC000294951748 388406361 /nfs/dbraw/zinc/40/63/61/388406361.db2.gz JCAHGWUAZLQZJI-NSHDSACASA-N 0 3 244.338 3.196 20 0 BGADHN CCC1(CNCc2cc(F)ncc2F)CCC1 ZINC000294952504 385925884 /nfs/dbraw/zinc/92/58/84/385925884.db2.gz CEAPPUJZYJKEQU-UHFFFAOYSA-N 0 3 240.297 3.030 20 0 BGADHN C[C@H](CC(C)(C)O)NCc1ccc(Cl)s1 ZINC000294957668 388406780 /nfs/dbraw/zinc/40/67/80/388406780.db2.gz DPNHCVODEWSICO-MRVPVSSYSA-N 0 3 247.791 3.041 20 0 BGADHN C[C@@H](CC(C)(C)O)NCc1ccc(Cl)s1 ZINC000294957671 388406893 /nfs/dbraw/zinc/40/68/93/388406893.db2.gz DPNHCVODEWSICO-QMMMGPOBSA-N 0 3 247.791 3.041 20 0 BGADHN Cc1ccc(CN2CCC(CF)CC2)s1 ZINC000294959199 385928600 /nfs/dbraw/zinc/92/86/00/385928600.db2.gz DQIFOLSHXPAIPQ-UHFFFAOYSA-N 0 3 227.348 3.238 20 0 BGADHN CS[C@@H]1CCN(Cc2ccc3occc3c2)C1 ZINC000294961012 385926812 /nfs/dbraw/zinc/92/68/12/385926812.db2.gz DXEWLNRQSSSUEO-CYBMUJFWSA-N 0 3 247.363 3.370 20 0 BGADHN CS[C@H]1CCN(Cc2ccc3occc3c2)C1 ZINC000294961013 385927590 /nfs/dbraw/zinc/92/75/90/385927590.db2.gz DXEWLNRQSSSUEO-ZDUSSCGKSA-N 0 3 247.363 3.370 20 0 BGADHN CCC=CCNCc1cnc(-c2ccccc2)[nH]1 ZINC000294963059 385928901 /nfs/dbraw/zinc/92/89/01/385928901.db2.gz FCOQLXHAUBXLSY-XVNBXDOJSA-N 0 3 241.338 3.133 20 0 BGADHN CCC=CCNCc1c[nH]c(-c2ccccc2)n1 ZINC000294963059 385928893 /nfs/dbraw/zinc/92/88/93/385928893.db2.gz FCOQLXHAUBXLSY-XVNBXDOJSA-N 0 3 241.338 3.133 20 0 BGADHN CCCC(C)(C)NCc1cc(F)ncc1F ZINC000294968964 385930910 /nfs/dbraw/zinc/93/09/10/385930910.db2.gz GGHXYVCYAFBQGB-UHFFFAOYSA-N 0 3 228.286 3.028 20 0 BGADHN Cc1cccc(CNC2CCSCC2)c1F ZINC000294974159 179090792 /nfs/dbraw/zinc/09/07/92/179090792.db2.gz GQDCYKPARMCUHI-UHFFFAOYSA-N 0 3 239.359 3.119 20 0 BGADHN CC(=O)c1cccc(CN2CC[C@@H](C)[C@@H]2C)c1 ZINC000294975456 385932069 /nfs/dbraw/zinc/93/20/69/385932069.db2.gz LYUKPYOJOTZVQC-NEPJUHHUSA-N 0 3 231.339 3.120 20 0 BGADHN CC(=O)c1cccc(CN2CC[C@H](C)[C@H]2C)c1 ZINC000294975458 385931459 /nfs/dbraw/zinc/93/14/59/385931459.db2.gz LYUKPYOJOTZVQC-NWDGAFQWSA-N 0 3 231.339 3.120 20 0 BGADHN CC(=O)c1cccc(CN2CC[C@H](C)[C@@H]2C)c1 ZINC000294975461 385932115 /nfs/dbraw/zinc/93/21/15/385932115.db2.gz LYUKPYOJOTZVQC-RYUDHWBXSA-N 0 3 231.339 3.120 20 0 BGADHN CC(=O)c1cccc(CN2CC[C@@H](C)[C@H]2C)c1 ZINC000294975464 385930122 /nfs/dbraw/zinc/93/01/22/385930122.db2.gz LYUKPYOJOTZVQC-VXGBXAGGSA-N 0 3 231.339 3.120 20 0 BGADHN CC/C=C/CNCc1c(C)nn(C(C)(C)C)c1C ZINC000294983397 385935328 /nfs/dbraw/zinc/93/53/28/385935328.db2.gz GRJRTUNVOVCBPM-CMDGGOBGSA-N 0 3 249.402 3.311 20 0 BGADHN CC/C=C/CNCc1cccc2cc[nH]c21 ZINC000294983469 385356400 /nfs/dbraw/zinc/35/64/00/385356400.db2.gz GRULZFKBDUYUAD-ONEGZZNKSA-N 0 3 214.312 3.224 20 0 BGADHN CCC1CCN(Cc2ccncc2C)CC1 ZINC000294986961 385933521 /nfs/dbraw/zinc/93/35/21/385933521.db2.gz XTQSPYQEMXKHQP-UHFFFAOYSA-N 0 3 218.344 3.012 20 0 BGADHN CS[C@H]1CCN(C/C=C/c2ccccc2)C1 ZINC000294991219 385936566 /nfs/dbraw/zinc/93/65/66/385936566.db2.gz HPGGASOMVJJCKN-GPAKFWEMSA-N 0 3 233.380 3.137 20 0 BGADHN CS[C@@H]1CCN(C/C=C/c2ccccc2)C1 ZINC000294991222 385937831 /nfs/dbraw/zinc/93/78/31/385937831.db2.gz HPGGASOMVJJCKN-LHRNQBEKSA-N 0 3 233.380 3.137 20 0 BGADHN Cc1cnccc1CN1CCCC(C)(C)C1 ZINC000294995123 385937732 /nfs/dbraw/zinc/93/77/32/385937732.db2.gz YJLKNIJOBHYQIY-UHFFFAOYSA-N 0 3 218.344 3.012 20 0 BGADHN Cc1cnccc1CNCCSC(C)(C)C ZINC000294995277 385937937 /nfs/dbraw/zinc/93/79/37/385937937.db2.gz HVWOPKZVWZLDGC-UHFFFAOYSA-N 0 3 238.400 3.011 20 0 BGADHN CC/C=C/CNCc1cnc(-c2ccco2)s1 ZINC000294996491 385937615 /nfs/dbraw/zinc/93/76/15/385937615.db2.gz LBRDJLNHJWZKRD-ONEGZZNKSA-N 0 3 248.351 3.459 20 0 BGADHN CS[C@@H]1CCN(Cc2ccc(C)c(F)c2)C1 ZINC000294996789 385936829 /nfs/dbraw/zinc/93/68/29/385936829.db2.gz IATAHZCJFIJALD-GFCCVEGCSA-N 0 3 239.359 3.071 20 0 BGADHN CS[C@H]1CCN(Cc2ccc(C)c(F)c2)C1 ZINC000294996793 385937285 /nfs/dbraw/zinc/93/72/85/385937285.db2.gz IATAHZCJFIJALD-LBPRGKRZSA-N 0 3 239.359 3.071 20 0 BGADHN CN(Cc1cccnc1)CC12CCC(CC1)C2 ZINC000294998581 385936597 /nfs/dbraw/zinc/93/65/97/385936597.db2.gz RFCCTXYERVTFFW-UHFFFAOYSA-N 0 3 230.355 3.094 20 0 BGADHN C[C@H](CC(C)(C)O)NCc1cc(Cl)cs1 ZINC000294998874 388406467 /nfs/dbraw/zinc/40/64/67/388406467.db2.gz IGZNWZGSEOMFSK-MRVPVSSYSA-N 0 3 247.791 3.041 20 0 BGADHN C[C@@H](CC(C)(C)O)NCc1cc(Cl)cs1 ZINC000294998875 388406357 /nfs/dbraw/zinc/40/63/57/388406357.db2.gz IGZNWZGSEOMFSK-QMMMGPOBSA-N 0 3 247.791 3.041 20 0 BGADHN Cc1ccc(CNCCCc2ncccc2C)o1 ZINC000295003755 385941921 /nfs/dbraw/zinc/94/19/21/385941921.db2.gz LOOPUZQQWFUSGE-UHFFFAOYSA-N 0 3 244.338 3.014 20 0 BGADHN CC(=O)c1cccc(CN2CCC(C)CC2)c1 ZINC000295006865 385942299 /nfs/dbraw/zinc/94/22/99/385942299.db2.gz AQJQJKSSHTUUAF-UHFFFAOYSA-N 0 3 231.339 3.121 20 0 BGADHN FCC1CCN(Cc2ccccc2F)CC1 ZINC000295009992 385939918 /nfs/dbraw/zinc/93/99/18/385939918.db2.gz JJTDSOQDIBSFFY-UHFFFAOYSA-N 0 3 225.282 3.007 20 0 BGADHN FCC1CCN(Cc2cccc(F)c2)CC1 ZINC000295012748 385943709 /nfs/dbraw/zinc/94/37/09/385943709.db2.gz JQKVYUOHVFMTPP-UHFFFAOYSA-N 0 3 225.282 3.007 20 0 BGADHN Cc1cnccc1CN(C)CCc1cccs1 ZINC000295013920 385945320 /nfs/dbraw/zinc/94/53/20/385945320.db2.gz ZNXNZTMILQWTNM-UHFFFAOYSA-N 0 3 246.379 3.126 20 0 BGADHN CCC1(NCc2cc(F)ncc2F)CCCC1 ZINC000295016863 385945143 /nfs/dbraw/zinc/94/51/43/385945143.db2.gz KCVYAKIXIMAZNT-UHFFFAOYSA-N 0 3 240.297 3.172 20 0 BGADHN FCC1CCN(c2ccnc3ccccc32)CC1 ZINC000295029099 132220408 /nfs/dbraw/zinc/22/04/08/132220408.db2.gz RNQISOIQPCLWFR-UHFFFAOYSA-N 0 3 244.313 3.421 20 0 BGADHN CC(C)=CCC[C@@H](C)NCc1conc1C ZINC000295033164 385946227 /nfs/dbraw/zinc/94/62/27/385946227.db2.gz LVRZQDMAQYXOLO-LLVKDONJSA-N 0 3 222.332 3.208 20 0 BGADHN CC(C)=CCC[C@H](C)NCc1conc1C ZINC000295033165 385947485 /nfs/dbraw/zinc/94/74/85/385947485.db2.gz LVRZQDMAQYXOLO-NSHDSACASA-N 0 3 222.332 3.208 20 0 BGADHN Cc1nocc1CN1CCC[C@H]1c1ccccc1 ZINC000295040673 385951977 /nfs/dbraw/zinc/95/19/77/385951977.db2.gz YHMXLVYTVLLHRH-HNNXBMFYSA-N 0 3 242.322 3.320 20 0 BGADHN Cc1nocc1CN1CCC[C@@H]1c1ccccc1 ZINC000295040677 385950526 /nfs/dbraw/zinc/95/05/26/385950526.db2.gz YHMXLVYTVLLHRH-OAHLLOKOSA-N 0 3 242.322 3.320 20 0 BGADHN Cc1ccccc1CCN(C)Cc1ccccn1 ZINC000295041489 179264037 /nfs/dbraw/zinc/26/40/37/179264037.db2.gz DXDGZPUOZULHGY-UHFFFAOYSA-N 0 3 240.350 3.065 20 0 BGADHN CC(C)(NCC1CC(F)(F)C1)c1nccs1 ZINC000295041813 385397174 /nfs/dbraw/zinc/39/71/74/385397174.db2.gz XFASBCBMLFHQED-UHFFFAOYSA-N 0 3 246.326 3.013 20 0 BGADHN CC/C=C/CN[C@H](C)c1cc(C)ccn1 ZINC000295041994 385952059 /nfs/dbraw/zinc/95/20/59/385952059.db2.gz OVAJINQZVXHWJS-BTDICHCPSA-N 0 3 204.317 3.007 20 0 BGADHN CC/C=C/CN[C@@H](C)c1cc(C)ccn1 ZINC000295041998 385950312 /nfs/dbraw/zinc/95/03/12/385950312.db2.gz OVAJINQZVXHWJS-FYJFLYSWSA-N 0 3 204.317 3.007 20 0 BGADHN C[C@H](CC1CC1)NCc1cc(F)cnc1Cl ZINC000295045139 385953207 /nfs/dbraw/zinc/95/32/07/385953207.db2.gz FETOBTOVIXAVEJ-MRVPVSSYSA-N 0 3 242.725 3.152 20 0 BGADHN C[C@@H](CC1CC1)NCc1cc(F)cnc1Cl ZINC000295045142 385952998 /nfs/dbraw/zinc/95/29/98/385952998.db2.gz FETOBTOVIXAVEJ-QMMMGPOBSA-N 0 3 242.725 3.152 20 0 BGADHN COCc1ccc(CNCC2=CCCCC2)o1 ZINC000295045245 385402967 /nfs/dbraw/zinc/40/29/67/385402967.db2.gz FFQLRXHOIYQAJN-UHFFFAOYSA-N 0 3 235.327 3.016 20 0 BGADHN C[C@@H](NCC1=CCCCC1)c1cncc(F)c1 ZINC000295046303 388407311 /nfs/dbraw/zinc/40/73/11/388407311.db2.gz TZZYXPSOJXMRHQ-LLVKDONJSA-N 0 3 234.318 3.372 20 0 BGADHN C[C@H](NCC1=CCCCC1)c1cncc(F)c1 ZINC000295046305 388407685 /nfs/dbraw/zinc/40/76/85/388407685.db2.gz TZZYXPSOJXMRHQ-NSHDSACASA-N 0 3 234.318 3.372 20 0 BGADHN CS[C@@H]1CCN(Cc2ccc(F)c(C)c2)C1 ZINC000295048381 398131568 /nfs/dbraw/zinc/13/15/68/398131568.db2.gz NHNYRMJRLUJKIR-GFCCVEGCSA-N 0 3 239.359 3.071 20 0 BGADHN CS[C@H]1CCN(Cc2ccc(F)c(C)c2)C1 ZINC000295048382 398131312 /nfs/dbraw/zinc/13/13/12/398131312.db2.gz NHNYRMJRLUJKIR-LBPRGKRZSA-N 0 3 239.359 3.071 20 0 BGADHN CN(CCC1CCCC1)Cc1ccccn1 ZINC000295049204 398131727 /nfs/dbraw/zinc/13/17/27/398131727.db2.gz AYIUXEUOVGPZBT-UHFFFAOYSA-N 0 3 218.344 3.094 20 0 BGADHN C[C@@H](NCc1csc(Cl)n1)C1CCCC1 ZINC000295052078 398132144 /nfs/dbraw/zinc/13/21/44/398132144.db2.gz UQRXBEFNNBBKJS-MRVPVSSYSA-N 0 3 244.791 3.465 20 0 BGADHN C[C@H](NCc1csc(Cl)n1)C1CCCC1 ZINC000295052081 398132136 /nfs/dbraw/zinc/13/21/36/398132136.db2.gz UQRXBEFNNBBKJS-QMMMGPOBSA-N 0 3 244.791 3.465 20 0 BGADHN CC[C@@H](C)[C@H](C)NCc1cc(F)cnc1Cl ZINC000295052571 385955515 /nfs/dbraw/zinc/95/55/15/385955515.db2.gz FVXOKBOWHNFEMB-BDAKNGLRSA-N 0 3 244.741 3.398 20 0 BGADHN CC[C@H](C)[C@@H](C)NCc1cc(F)cnc1Cl ZINC000295052575 171365841 /nfs/dbraw/zinc/36/58/41/171365841.db2.gz FVXOKBOWHNFEMB-DTWKUNHWSA-N 0 3 244.741 3.398 20 0 BGADHN CC[C@H](C)[C@H](C)NCc1cc(F)cnc1Cl ZINC000295052578 171389466 /nfs/dbraw/zinc/38/94/66/171389466.db2.gz FVXOKBOWHNFEMB-IUCAKERBSA-N 0 3 244.741 3.398 20 0 BGADHN CC[C@@H](C)[C@@H](C)NCc1cc(F)cnc1Cl ZINC000295052581 385954048 /nfs/dbraw/zinc/95/40/48/385954048.db2.gz FVXOKBOWHNFEMB-RKDXNWHRSA-N 0 3 244.741 3.398 20 0 BGADHN C[C@@H](c1ccccn1)N(C)CC1CC(F)(F)C1 ZINC000295053257 176026908 /nfs/dbraw/zinc/02/69/08/176026908.db2.gz XWQVOOBGAPSDFD-JTQLQIEISA-N 0 3 240.297 3.120 20 0 BGADHN C[C@H](c1ccccn1)N(C)CC1CC(F)(F)C1 ZINC000295053259 177042745 /nfs/dbraw/zinc/04/27/45/177042745.db2.gz XWQVOOBGAPSDFD-SNVBAGLBSA-N 0 3 240.297 3.120 20 0 BGADHN CCC[C@@]1(C)CCCN(Cc2cccnc2N)C1 ZINC000295054126 385955499 /nfs/dbraw/zinc/95/54/99/385955499.db2.gz OWRQUJUJBJCQPC-HNNXBMFYSA-N 0 3 247.386 3.066 20 0 BGADHN CCC[C@]1(C)CCCN(Cc2cccnc2N)C1 ZINC000295054130 385954953 /nfs/dbraw/zinc/95/49/53/385954953.db2.gz OWRQUJUJBJCQPC-OAHLLOKOSA-N 0 3 247.386 3.066 20 0 BGADHN Cc1cc(CN2CCC(CF)CC2)cs1 ZINC000295064179 385957563 /nfs/dbraw/zinc/95/75/63/385957563.db2.gz OPIVOHSSNKFKBS-UHFFFAOYSA-N 0 3 227.348 3.238 20 0 BGADHN CCN(CCc1ccccc1)Cc1conc1C ZINC000295064659 385957481 /nfs/dbraw/zinc/95/74/81/385957481.db2.gz AHCPDVSGGKMXOK-UHFFFAOYSA-N 0 3 244.338 3.048 20 0 BGADHN Cc1ccccc1CCN(C)Cc1ccncc1 ZINC000295067130 179264416 /nfs/dbraw/zinc/26/44/16/179264416.db2.gz HBCFKOXTTZSMTQ-UHFFFAOYSA-N 0 3 240.350 3.065 20 0 BGADHN FCC1CCN(C/C=C/c2ccccc2)CC1 ZINC000295069832 385956297 /nfs/dbraw/zinc/95/62/97/385956297.db2.gz PDYMWNBLVXOVQW-QPJJXVBHSA-N 0 3 233.330 3.381 20 0 BGADHN CS[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC000295076111 385959082 /nfs/dbraw/zinc/95/90/82/385959082.db2.gz PUPLJIIBRALTIL-GFCCVEGCSA-N 0 3 241.787 3.277 20 0 BGADHN CS[C@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC000295076114 385961452 /nfs/dbraw/zinc/96/14/52/385961452.db2.gz PUPLJIIBRALTIL-LBPRGKRZSA-N 0 3 241.787 3.277 20 0 BGADHN CN(CCCC(C)(C)C)Cc1ccccn1 ZINC000295076627 385960777 /nfs/dbraw/zinc/96/07/77/385960777.db2.gz DAFHKTFMUCNLOQ-UHFFFAOYSA-N 0 3 220.360 3.340 20 0 BGADHN CCC1(NCc2cccc(O)c2OC)CCCC1 ZINC000295077222 385959571 /nfs/dbraw/zinc/95/95/71/385959571.db2.gz PWRKZFXFAXBCAN-UHFFFAOYSA-N 0 3 249.354 3.213 20 0 BGADHN FCC1CCN(Cc2ccc(F)cc2)CC1 ZINC000295078436 385959215 /nfs/dbraw/zinc/95/92/15/385959215.db2.gz PZKHGORXTRHSAR-UHFFFAOYSA-N 0 3 225.282 3.007 20 0 BGADHN CC[C@@H](C)CNCc1cc(F)cnc1Cl ZINC000295079862 385961605 /nfs/dbraw/zinc/96/16/05/385961605.db2.gz ICFVOCRJSFUGAT-MRVPVSSYSA-N 0 3 230.714 3.010 20 0 BGADHN CC[C@H](C)CNCc1cc(F)cnc1Cl ZINC000295079865 171286277 /nfs/dbraw/zinc/28/62/77/171286277.db2.gz ICFVOCRJSFUGAT-QMMMGPOBSA-N 0 3 230.714 3.010 20 0 BGADHN C[C@H](CC(C)(C)O)NCc1cc2ccccc2o1 ZINC000295083732 385428610 /nfs/dbraw/zinc/42/86/10/385428610.db2.gz QQYCNRMKACUWQZ-LLVKDONJSA-N 0 3 247.338 3.072 20 0 BGADHN C[C@@H](CC(C)(C)O)NCc1cc2ccccc2o1 ZINC000295083735 385428197 /nfs/dbraw/zinc/42/81/97/385428197.db2.gz QQYCNRMKACUWQZ-NSHDSACASA-N 0 3 247.338 3.072 20 0 BGADHN CC(C)C[C@@H](C)NCc1cc(F)cnc1Cl ZINC000295086923 188213916 /nfs/dbraw/zinc/21/39/16/188213916.db2.gz IWAOKJNKJJOGJV-SECBINFHSA-N 0 3 244.741 3.398 20 0 BGADHN CC(C)C[C@H](C)NCc1cc(F)cnc1Cl ZINC000295086927 385965041 /nfs/dbraw/zinc/96/50/41/385965041.db2.gz IWAOKJNKJJOGJV-VIFPVBQESA-N 0 3 244.741 3.398 20 0 BGADHN CCn1ccnc1CN[C@H](C)CCC=C(C)C ZINC000295092761 172223526 /nfs/dbraw/zinc/22/35/26/172223526.db2.gz RVYYPFQWVSBGQD-CYBMUJFWSA-N 0 3 235.375 3.128 20 0 BGADHN CCn1ccnc1CN[C@@H](C)CCC=C(C)C ZINC000295092763 172225003 /nfs/dbraw/zinc/22/50/03/172225003.db2.gz RVYYPFQWVSBGQD-ZDUSSCGKSA-N 0 3 235.375 3.128 20 0 BGADHN CC(C)n1cc([C@H](C)NCCC(C)(F)F)cn1 ZINC000295094971 385962732 /nfs/dbraw/zinc/96/27/32/385962732.db2.gz ZVJIHKVACNLOIH-JTQLQIEISA-N 0 3 245.317 3.160 20 0 BGADHN CC(C)n1cc([C@@H](C)NCCC(C)(F)F)cn1 ZINC000295094972 385963805 /nfs/dbraw/zinc/96/38/05/385963805.db2.gz ZVJIHKVACNLOIH-SNVBAGLBSA-N 0 3 245.317 3.160 20 0 BGADHN Cc1ccc(CNCC(C)(C)c2ccccn2)o1 ZINC000295096744 188393228 /nfs/dbraw/zinc/39/32/28/188393228.db2.gz JWMLTFMUPDFORK-UHFFFAOYSA-N 0 3 244.338 3.050 20 0 BGADHN CC/C=C/CN[C@H](C)c1cccc(NC(C)=O)c1 ZINC000295097021 388409059 /nfs/dbraw/zinc/40/90/59/388409059.db2.gz UKRCKNLBFKGNTL-BTDICHCPSA-N 0 3 246.354 3.262 20 0 BGADHN CC/C=C/CN[C@@H](C)c1cccc(NC(C)=O)c1 ZINC000295097023 388408982 /nfs/dbraw/zinc/40/89/82/388408982.db2.gz UKRCKNLBFKGNTL-FYJFLYSWSA-N 0 3 246.354 3.262 20 0 BGADHN CCc1ccc(CN2CCC(CF)CC2)o1 ZINC000295098632 385967643 /nfs/dbraw/zinc/96/76/43/385967643.db2.gz SKJQSLQGGXBJAP-UHFFFAOYSA-N 0 3 225.307 3.024 20 0 BGADHN CCC(CC)NCc1cc(F)cnc1Cl ZINC000295100368 168390204 /nfs/dbraw/zinc/39/02/04/168390204.db2.gz KJKJAWLFYXBNKV-UHFFFAOYSA-N 0 3 230.714 3.152 20 0 BGADHN CS[C@@H]1CCN(Cc2cc(F)ccc2C)C1 ZINC000295101563 385966219 /nfs/dbraw/zinc/96/62/19/385966219.db2.gz SXDLEHMYZNONIY-CYBMUJFWSA-N 0 3 239.359 3.071 20 0 BGADHN CS[C@H]1CCN(Cc2cc(F)ccc2C)C1 ZINC000295101566 385966816 /nfs/dbraw/zinc/96/68/16/385966816.db2.gz SXDLEHMYZNONIY-ZDUSSCGKSA-N 0 3 239.359 3.071 20 0 BGADHN CN(Cc1ccccn1)[C@H]1C=CCCCCC1 ZINC000295104240 385968386 /nfs/dbraw/zinc/96/83/86/385968386.db2.gz GUKXEMMLVWQMKJ-HNNXBMFYSA-N 0 3 230.355 3.402 20 0 BGADHN CN(Cc1ccccn1)[C@@H]1C=CCCCCC1 ZINC000295104241 385968276 /nfs/dbraw/zinc/96/82/76/385968276.db2.gz GUKXEMMLVWQMKJ-OAHLLOKOSA-N 0 3 230.355 3.402 20 0 BGADHN CCC(CC)CNCc1cc(F)cnc1Cl ZINC000295104610 168361936 /nfs/dbraw/zinc/36/19/36/168361936.db2.gz KTXQBJOTQGBGGG-UHFFFAOYSA-N 0 3 244.741 3.400 20 0 BGADHN Cc1nccnc1[C@@H](C)NCCC(C)(C)C1CC1 ZINC000295105007 180279895 /nfs/dbraw/zinc/27/98/95/180279895.db2.gz WNFGHTZRSRALLG-LLVKDONJSA-N 0 3 247.386 3.262 20 0 BGADHN Cc1nccnc1[C@H](C)NCCC(C)(C)C1CC1 ZINC000295105008 180281989 /nfs/dbraw/zinc/28/19/89/180281989.db2.gz WNFGHTZRSRALLG-NSHDSACASA-N 0 3 247.386 3.262 20 0 BGADHN CCc1ccc([C@H](C)N[C@@H](CC)C(C)(C)O)o1 ZINC000295106653 385968334 /nfs/dbraw/zinc/96/83/34/385968334.db2.gz WTIGYPSKPGXETI-GWCFXTLKSA-N 0 3 239.359 3.042 20 0 BGADHN CCc1ccc([C@H](C)N[C@H](CC)C(C)(C)O)o1 ZINC000295106654 385967500 /nfs/dbraw/zinc/96/75/00/385967500.db2.gz WTIGYPSKPGXETI-GXFFZTMASA-N 0 3 239.359 3.042 20 0 BGADHN CCc1ccc([C@@H](C)N[C@@H](CC)C(C)(C)O)o1 ZINC000295106656 385967842 /nfs/dbraw/zinc/96/78/42/385967842.db2.gz WTIGYPSKPGXETI-MFKMUULPSA-N 0 3 239.359 3.042 20 0 BGADHN CCc1ccc([C@@H](C)N[C@H](CC)C(C)(C)O)o1 ZINC000295106658 385967704 /nfs/dbraw/zinc/96/77/04/385967704.db2.gz WTIGYPSKPGXETI-ZWNOBZJWSA-N 0 3 239.359 3.042 20 0 BGADHN CS[C@@H]1CCN(Cc2ccc(F)cc2C)C1 ZINC000295107946 385968474 /nfs/dbraw/zinc/96/84/74/385968474.db2.gz UPXFYANFISOVQR-CYBMUJFWSA-N 0 3 239.359 3.071 20 0 BGADHN CS[C@H]1CCN(Cc2ccc(F)cc2C)C1 ZINC000295107948 385966008 /nfs/dbraw/zinc/96/60/08/385966008.db2.gz UPXFYANFISOVQR-ZDUSSCGKSA-N 0 3 239.359 3.071 20 0 BGADHN CCC[C@@H](O)CN(C)Cc1cc2ccccc2o1 ZINC000295108970 385969582 /nfs/dbraw/zinc/96/95/82/385969582.db2.gz VDUNHEFMCIFZRJ-CYBMUJFWSA-N 0 3 247.338 3.026 20 0 BGADHN CCC[C@H](O)CN(C)Cc1cc2ccccc2o1 ZINC000295108972 385969289 /nfs/dbraw/zinc/96/92/89/385969289.db2.gz VDUNHEFMCIFZRJ-ZDUSSCGKSA-N 0 3 247.338 3.026 20 0 BGADHN COC[C@@]1(C)CCN(C/C=C/c2ccccc2)C1 ZINC000295111519 385969219 /nfs/dbraw/zinc/96/92/19/385969219.db2.gz LTRSICJYDUCKFA-FSNWXROXSA-N 0 3 245.366 3.058 20 0 BGADHN COC[C@]1(C)CCN(C/C=C/c2ccccc2)C1 ZINC000295111524 385970724 /nfs/dbraw/zinc/97/07/24/385970724.db2.gz LTRSICJYDUCKFA-YXMGTMDOSA-N 0 3 245.366 3.058 20 0 BGADHN CS[C@@H]1CCN(Cc2cc(C)ccc2F)C1 ZINC000295114540 385970412 /nfs/dbraw/zinc/97/04/12/385970412.db2.gz VNUJMELGYACKLG-GFCCVEGCSA-N 0 3 239.359 3.071 20 0 BGADHN CS[C@H]1CCN(Cc2cc(C)ccc2F)C1 ZINC000295114542 385969736 /nfs/dbraw/zinc/96/97/36/385969736.db2.gz VNUJMELGYACKLG-LBPRGKRZSA-N 0 3 239.359 3.071 20 0 BGADHN CS[C@@H]1CCN(Cc2cccc(Cl)c2)C1 ZINC000295114562 385969996 /nfs/dbraw/zinc/96/99/96/385969996.db2.gz VOYAHGDMTUZHQS-GFCCVEGCSA-N 0 3 241.787 3.277 20 0 BGADHN CS[C@H]1CCN(Cc2cccc(Cl)c2)C1 ZINC000295114563 385969325 /nfs/dbraw/zinc/96/93/25/385969325.db2.gz VOYAHGDMTUZHQS-LBPRGKRZSA-N 0 3 241.787 3.277 20 0 BGADHN CS[C@@H]1CCN(Cc2cc3ccccc3o2)C1 ZINC000295114564 385970637 /nfs/dbraw/zinc/97/06/37/385970637.db2.gz VPBWZRYXMBKYTJ-CYBMUJFWSA-N 0 3 247.363 3.370 20 0 BGADHN CS[C@H]1CCN(Cc2cc3ccccc3o2)C1 ZINC000295114565 385969383 /nfs/dbraw/zinc/96/93/83/385969383.db2.gz VPBWZRYXMBKYTJ-ZDUSSCGKSA-N 0 3 247.363 3.370 20 0 BGADHN CN(Cc1ccccc1OC1CC1)C1CCC1 ZINC000295115256 385970279 /nfs/dbraw/zinc/97/02/79/385970279.db2.gz VWTUNIGLBLAXJL-UHFFFAOYSA-N 0 3 231.339 3.212 20 0 BGADHN Cc1sccc1CN1CCC(CF)CC1 ZINC000295115523 566388543 /nfs/dbraw/zinc/38/85/43/566388543.db2.gz VRPZIDDNIKMZHX-UHFFFAOYSA-N 0 3 227.348 3.238 20 0 BGADHN CC(C)[C@@H](C)NCc1cc(F)cnc1Cl ZINC000295118747 167382790 /nfs/dbraw/zinc/38/27/90/167382790.db2.gz MUCWCWZMLWHHHI-MRVPVSSYSA-N 0 3 230.714 3.008 20 0 BGADHN CC(C)[C@H](C)NCc1cc(F)cnc1Cl ZINC000295118748 385972522 /nfs/dbraw/zinc/97/25/22/385972522.db2.gz MUCWCWZMLWHHHI-QMMMGPOBSA-N 0 3 230.714 3.008 20 0 BGADHN C[C@@H](NCC1=CCCCC1)c1ccccn1 ZINC000295119781 388409343 /nfs/dbraw/zinc/40/93/43/388409343.db2.gz MYUDHUNJJFCMTA-GFCCVEGCSA-N 0 3 216.328 3.233 20 0 BGADHN C[C@H](NCC1=CCCCC1)c1ccccn1 ZINC000295119782 388409192 /nfs/dbraw/zinc/40/91/92/388409192.db2.gz MYUDHUNJJFCMTA-LBPRGKRZSA-N 0 3 216.328 3.233 20 0 BGADHN CC/C=C/CNCc1cccc2cccnc21 ZINC000295120381 388409218 /nfs/dbraw/zinc/40/92/18/388409218.db2.gz WLZZXBXHTHHLCQ-ONEGZZNKSA-N 0 3 226.323 3.291 20 0 BGADHN CC[C@@H](NCc1cc(F)cnc1Cl)C(C)C ZINC000295120735 352397994 /nfs/dbraw/zinc/39/79/94/352397994.db2.gz NESLUUCHOPHGMW-LLVKDONJSA-N 0 3 244.741 3.398 20 0 BGADHN CC[C@H](NCc1cc(F)cnc1Cl)C(C)C ZINC000295120737 385973520 /nfs/dbraw/zinc/97/35/20/385973520.db2.gz NESLUUCHOPHGMW-NSHDSACASA-N 0 3 244.741 3.398 20 0 BGADHN CC(=O)c1ccc(CN2CC[C@@H](C)[C@@H]2C)cc1 ZINC000295120971 188213794 /nfs/dbraw/zinc/21/37/94/188213794.db2.gz WSRYHOXGLNKZTC-NEPJUHHUSA-N 0 3 231.339 3.120 20 0 BGADHN CC(=O)c1ccc(CN2CC[C@H](C)[C@H]2C)cc1 ZINC000295120974 187351685 /nfs/dbraw/zinc/35/16/85/187351685.db2.gz WSRYHOXGLNKZTC-NWDGAFQWSA-N 0 3 231.339 3.120 20 0 BGADHN CC(=O)c1ccc(CN2CC[C@H](C)[C@@H]2C)cc1 ZINC000295120976 188038014 /nfs/dbraw/zinc/03/80/14/188038014.db2.gz WSRYHOXGLNKZTC-RYUDHWBXSA-N 0 3 231.339 3.120 20 0 BGADHN CC(=O)c1ccc(CN2CC[C@@H](C)[C@H]2C)cc1 ZINC000295120979 385972332 /nfs/dbraw/zinc/97/23/32/385972332.db2.gz WSRYHOXGLNKZTC-VXGBXAGGSA-N 0 3 231.339 3.120 20 0 BGADHN CN(Cc1ccccn1)CC12CCC(CC1)C2 ZINC000295122431 385973607 /nfs/dbraw/zinc/97/36/07/385973607.db2.gz IZKLXQAZBFBJEO-UHFFFAOYSA-N 0 3 230.355 3.094 20 0 BGADHN Cc1ccccc1CCN(C)Cc1cccnc1 ZINC000295124831 179264203 /nfs/dbraw/zinc/26/42/03/179264203.db2.gz NTNAIVMBPVIPQF-UHFFFAOYSA-N 0 3 240.350 3.065 20 0 BGADHN CC(C)Cn1cc(CNCC2=CCCCC2)cn1 ZINC000295127478 385973480 /nfs/dbraw/zinc/97/34/80/385973480.db2.gz OARJGRUUGXJRDF-UHFFFAOYSA-N 0 3 247.386 3.129 20 0 BGADHN CC/C=C/CN[C@H]1CCCNc2ccccc21 ZINC000295127568 385973181 /nfs/dbraw/zinc/97/31/81/385973181.db2.gz YBEKVUUQPSGEHM-VFQAQYNWSA-N 0 3 230.355 3.489 20 0 BGADHN CC/C=C/CN[C@@H]1CCCNc2ccccc21 ZINC000295127573 385971796 /nfs/dbraw/zinc/97/17/96/385971796.db2.gz YBEKVUUQPSGEHM-YFCVBGDOSA-N 0 3 230.355 3.489 20 0 BGADHN Cc1ncc(CNCC2=CCCCC2)s1 ZINC000295132216 188268797 /nfs/dbraw/zinc/26/87/97/188268797.db2.gz ORELYSRXASWSKC-UHFFFAOYSA-N 0 3 222.357 3.042 20 0 BGADHN CC/C=C/CNCC1=Cc2ccccc2OC1 ZINC000295133777 385974607 /nfs/dbraw/zinc/97/46/07/385974607.db2.gz YOLBEQDGOFIIRA-ZZXKWVIFSA-N 0 3 229.323 3.018 20 0 BGADHN Cc1nc(F)ccc1CNCC1=CCCCC1 ZINC000295135213 188393536 /nfs/dbraw/zinc/39/35/36/188393536.db2.gz PDIAECIGNOSJBD-UHFFFAOYSA-N 0 3 234.318 3.119 20 0 BGADHN C[C@H](CC(C)(C)O)NCc1sccc1Cl ZINC000295141018 388408923 /nfs/dbraw/zinc/40/89/23/388408923.db2.gz ZSEOBVALBCRYPE-MRVPVSSYSA-N 0 3 247.791 3.041 20 0 BGADHN C[C@@H](CC(C)(C)O)NCc1sccc1Cl ZINC000295141021 388408607 /nfs/dbraw/zinc/40/86/07/388408607.db2.gz ZSEOBVALBCRYPE-QMMMGPOBSA-N 0 3 247.791 3.041 20 0 BGADHN C[C@H]1CC[C@@H](NCc2cc(F)cnc2Cl)C1 ZINC000295141126 177193581 /nfs/dbraw/zinc/19/35/81/177193581.db2.gz PXJIANSQPNWSHG-GZMMTYOYSA-N 0 3 242.725 3.152 20 0 BGADHN C[C@@H]1CC[C@H](NCc2cc(F)cnc2Cl)C1 ZINC000295141127 176233829 /nfs/dbraw/zinc/23/38/29/176233829.db2.gz PXJIANSQPNWSHG-KCJUWKMLSA-N 0 3 242.725 3.152 20 0 BGADHN C[C@H]1CC[C@H](NCc2cc(F)cnc2Cl)C1 ZINC000295141129 177205648 /nfs/dbraw/zinc/20/56/48/177205648.db2.gz PXJIANSQPNWSHG-KWQFWETISA-N 0 3 242.725 3.152 20 0 BGADHN C[C@@H]1CC[C@@H](NCc2cc(F)cnc2Cl)C1 ZINC000295141131 176213083 /nfs/dbraw/zinc/21/30/83/176213083.db2.gz PXJIANSQPNWSHG-LDYMZIIASA-N 0 3 242.725 3.152 20 0 BGADHN CC(C)(C)CCNCc1cc(F)cnc1Cl ZINC000295150671 385978535 /nfs/dbraw/zinc/97/85/35/385978535.db2.gz RAMPLZIHBWIYHB-UHFFFAOYSA-N 0 3 244.741 3.400 20 0 BGADHN FCCCCCN1CCC=C(c2cccnc2)C1 ZINC000295151430 385979032 /nfs/dbraw/zinc/97/90/32/385979032.db2.gz BSKSIRQCICNHAZ-UHFFFAOYSA-N 0 3 248.345 3.311 20 0 BGADHN Cc1ncsc1CNCC1=CCCCC1 ZINC000295155167 180319577 /nfs/dbraw/zinc/31/95/77/180319577.db2.gz RNLOHJGMHHXZCG-UHFFFAOYSA-N 0 3 222.357 3.042 20 0 BGADHN Cc1nn(C(C)C)cc1CNCC1=CCCCC1 ZINC000295157277 385982080 /nfs/dbraw/zinc/98/20/80/385982080.db2.gz RUCGGQXBLHCGNE-UHFFFAOYSA-N 0 3 247.386 3.362 20 0 BGADHN Fc1cnc(Cl)c(CNC2CCCCC2)c1 ZINC000295157454 181016697 /nfs/dbraw/zinc/01/66/97/181016697.db2.gz RVGBXUXTUIPOOT-UHFFFAOYSA-N 0 3 242.725 3.296 20 0 BGADHN CCn1nc(C)c(CNCC2=CCCCC2)c1C ZINC000295163710 172245508 /nfs/dbraw/zinc/24/55/08/172245508.db2.gz SMYCBWLDNPUXSO-UHFFFAOYSA-N 0 3 247.386 3.110 20 0 BGADHN C[C@H]1CC[C@H](NCc2cc(F)ncc2F)CC1 ZINC000295164386 176213511 /nfs/dbraw/zinc/21/35/11/176213511.db2.gz KVSMHWCVKYDJTD-HOMQSWHASA-N 0 3 240.297 3.028 20 0 BGADHN CC(C)CCCNCc1cc(F)cnc1Cl ZINC000295168022 385985279 /nfs/dbraw/zinc/98/52/79/385985279.db2.gz TVNAUPVDCVRVAV-UHFFFAOYSA-N 0 3 244.741 3.400 20 0 BGADHN CC(C)(C)CNCc1cc(F)cnc1Cl ZINC000295168037 385985694 /nfs/dbraw/zinc/98/56/94/385985694.db2.gz TVQGSUQINQKBKI-UHFFFAOYSA-N 0 3 230.714 3.010 20 0 BGADHN Cc1cnc(CNCC2(C)CCCC2)s1 ZINC000295168640 385467254 /nfs/dbraw/zinc/46/72/54/385467254.db2.gz LCXJEFKMIOSPJA-UHFFFAOYSA-N 0 3 224.373 3.121 20 0 BGADHN FC1(F)CC(CN2CCCc3occc3C2)C1 ZINC000295171773 385983883 /nfs/dbraw/zinc/98/38/83/385983883.db2.gz GQSRZBIVUKANBA-UHFFFAOYSA-N 0 3 241.281 3.073 20 0 BGADHN CC(C)(C)n1cc(CNCC2=CCCCC2)cn1 ZINC000295177893 188096696 /nfs/dbraw/zinc/09/66/96/188096696.db2.gz VGOXDIPHCQDRQC-UHFFFAOYSA-N 0 3 247.386 3.228 20 0 BGADHN CCC[C@H](CC)NCc1cc(F)ncc1F ZINC000295177902 385984393 /nfs/dbraw/zinc/98/43/93/385984393.db2.gz MJQSFCSXWVEDCZ-JTQLQIEISA-N 0 3 228.286 3.028 20 0 BGADHN CCC[C@@H](CC)NCc1cc(F)ncc1F ZINC000295177904 169379651 /nfs/dbraw/zinc/37/96/51/169379651.db2.gz MJQSFCSXWVEDCZ-SNVBAGLBSA-N 0 3 228.286 3.028 20 0 BGADHN CC(C)=CCC[C@@H](C)N[C@@H]1CCn2ccnc21 ZINC000295183602 188038759 /nfs/dbraw/zinc/03/87/59/188038759.db2.gz WFFCTZNAZXZCLY-CHWSQXEVSA-N 0 3 233.359 3.052 20 0 BGADHN CC(C)=CCC[C@@H](C)N[C@H]1CCn2ccnc21 ZINC000295183603 188213930 /nfs/dbraw/zinc/21/39/30/188213930.db2.gz WFFCTZNAZXZCLY-OLZOCXBDSA-N 0 3 233.359 3.052 20 0 BGADHN CC(C)=CCC[C@H](C)N[C@@H]1CCn2ccnc21 ZINC000295183604 188214192 /nfs/dbraw/zinc/21/41/92/188214192.db2.gz WFFCTZNAZXZCLY-QWHCGFSZSA-N 0 3 233.359 3.052 20 0 BGADHN CC(C)=CCC[C@H](C)N[C@H]1CCn2ccnc21 ZINC000295183605 385988201 /nfs/dbraw/zinc/98/82/01/385988201.db2.gz WFFCTZNAZXZCLY-STQMWFEESA-N 0 3 233.359 3.052 20 0 BGADHN Cc1cnc(CNCCc2ccc(C)cc2)s1 ZINC000295186483 178534972 /nfs/dbraw/zinc/53/49/72/178534972.db2.gz NLLVPRRFIIRYHV-UHFFFAOYSA-N 0 3 246.379 3.092 20 0 BGADHN Cc1cc(CNCCc2ccccc2O)cs1 ZINC000295187702 178022428 /nfs/dbraw/zinc/02/24/28/178022428.db2.gz NQPCKQJFTXBUBH-UHFFFAOYSA-N 0 3 247.363 3.094 20 0 BGADHN Cc1ccoc1CN(C)CC1CC(F)(F)C1 ZINC000295193518 385988488 /nfs/dbraw/zinc/98/84/88/385988488.db2.gz LMGTWDHPJZMEIX-UHFFFAOYSA-N 0 3 229.270 3.065 20 0 BGADHN Cc1ccccc1CCN(C)Cc1cncs1 ZINC000295195852 179264174 /nfs/dbraw/zinc/26/41/74/179264174.db2.gz XYACVRSQBSDWSV-UHFFFAOYSA-N 0 3 246.379 3.126 20 0 BGADHN CCC[C@@H](C)NCc1cc(F)cnc1Cl ZINC000295197744 169370453 /nfs/dbraw/zinc/37/04/53/169370453.db2.gz YDZHREOWAKAQFS-MRVPVSSYSA-N 0 3 230.714 3.152 20 0 BGADHN CCC[C@H](C)NCc1cc(F)cnc1Cl ZINC000295197745 385991062 /nfs/dbraw/zinc/99/10/62/385991062.db2.gz YDZHREOWAKAQFS-QMMMGPOBSA-N 0 3 230.714 3.152 20 0 BGADHN Cc1ccc(CCN(C)Cc2ccccn2)cc1 ZINC000295199276 187351466 /nfs/dbraw/zinc/35/14/66/187351466.db2.gz SGXPGTZZUHDIIJ-UHFFFAOYSA-N 0 3 240.350 3.065 20 0 BGADHN CC1(CNCc2cc(F)ncc2F)CCCC1 ZINC000295206194 168042513 /nfs/dbraw/zinc/04/25/13/168042513.db2.gz POZNRSPFMCDOOA-UHFFFAOYSA-N 0 3 240.297 3.030 20 0 BGADHN Cc1cnccc1CNC1(c2ccccc2)CC1 ZINC000295218822 385993443 /nfs/dbraw/zinc/99/34/43/385993443.db2.gz QRWRPKFZJQRMDN-UHFFFAOYSA-N 0 3 238.334 3.169 20 0 BGADHN CCN(Cc1ccsc1C)C[C@H]1CCCO1 ZINC000295251025 352404576 /nfs/dbraw/zinc/40/45/76/352404576.db2.gz FWROPMLGIJQKIV-CYBMUJFWSA-N 0 3 239.384 3.057 20 0 BGADHN CCN(Cc1ccsc1C)C[C@@H]1CCCO1 ZINC000295251030 352404826 /nfs/dbraw/zinc/40/48/26/352404826.db2.gz FWROPMLGIJQKIV-ZDUSSCGKSA-N 0 3 239.384 3.057 20 0 BGADHN Cc1nocc1CN(C)CCCc1ccccc1 ZINC000295254717 385999761 /nfs/dbraw/zinc/99/97/61/385999761.db2.gz GIFWHKGWWYYCAS-UHFFFAOYSA-N 0 3 244.338 3.048 20 0 BGADHN C[C@@H]1C[C@H](NCc2coc3ccccc23)[C@@H](C)O1 ZINC000295257304 385505923 /nfs/dbraw/zinc/50/59/23/385505923.db2.gz UUPKYLDSTOBZLF-GYSYKLTISA-N 0 3 245.322 3.088 20 0 BGADHN C[C@@H]1C[C@@H](NCc2coc3ccccc23)[C@@H](C)O1 ZINC000295257307 176377563 /nfs/dbraw/zinc/37/75/63/176377563.db2.gz UUPKYLDSTOBZLF-JTNHKYCSSA-N 0 3 245.322 3.088 20 0 BGADHN C[C@@H]1C[C@H](NCc2coc3ccccc23)[C@H](C)O1 ZINC000295257311 385505265 /nfs/dbraw/zinc/50/52/65/385505265.db2.gz UUPKYLDSTOBZLF-SUNKGSAMSA-N 0 3 245.322 3.088 20 0 BGADHN C[C@@H]1C[C@@H](NCc2coc3ccccc23)[C@H](C)O1 ZINC000295257316 385505944 /nfs/dbraw/zinc/50/59/44/385505944.db2.gz UUPKYLDSTOBZLF-UHIISALHSA-N 0 3 245.322 3.088 20 0 BGADHN COc1ccc(F)c(CN(C)[C@@H](C)C2CC2)c1 ZINC000295264342 175123996 /nfs/dbraw/zinc/12/39/96/175123996.db2.gz HFAAPQKVJSZNGN-JTQLQIEISA-N 0 3 237.318 3.065 20 0 BGADHN COc1ccc(F)c(CN(C)[C@H](C)C2CC2)c1 ZINC000295264345 175124516 /nfs/dbraw/zinc/12/45/16/175124516.db2.gz HFAAPQKVJSZNGN-SNVBAGLBSA-N 0 3 237.318 3.065 20 0 BGADHN Cc1nocc1CN(C)C[C@@H](C)c1ccccc1 ZINC000295304467 386009600 /nfs/dbraw/zinc/00/96/00/386009600.db2.gz KEDBQPKXIHCLMI-GFCCVEGCSA-N 0 3 244.338 3.219 20 0 BGADHN Cc1nocc1CN(C)C[C@H](C)c1ccccc1 ZINC000295304470 386008656 /nfs/dbraw/zinc/00/86/56/386008656.db2.gz KEDBQPKXIHCLMI-LBPRGKRZSA-N 0 3 244.338 3.219 20 0 BGADHN C[C@H](N[C@H]1CCOC1(C)C)c1cccc(F)c1 ZINC000295311309 385544940 /nfs/dbraw/zinc/54/49/40/385544940.db2.gz VTLBZUZHBBYHRN-GWCFXTLKSA-N 0 3 237.318 3.044 20 0 BGADHN C[C@H](N[C@@H]1CCOC1(C)C)c1cccc(F)c1 ZINC000295311313 385546086 /nfs/dbraw/zinc/54/60/86/385546086.db2.gz VTLBZUZHBBYHRN-GXFFZTMASA-N 0 3 237.318 3.044 20 0 BGADHN C[C@@H](N[C@H]1CCOC1(C)C)c1cccc(F)c1 ZINC000295311317 385544927 /nfs/dbraw/zinc/54/49/27/385544927.db2.gz VTLBZUZHBBYHRN-MFKMUULPSA-N 0 3 237.318 3.044 20 0 BGADHN C[C@@H](N[C@@H]1CCOC1(C)C)c1cccc(F)c1 ZINC000295311320 385545787 /nfs/dbraw/zinc/54/57/87/385545787.db2.gz VTLBZUZHBBYHRN-ZWNOBZJWSA-N 0 3 237.318 3.044 20 0 BGADHN Cc1cnc(CNCCc2cccc(C)c2)s1 ZINC000295325718 179058201 /nfs/dbraw/zinc/05/82/01/179058201.db2.gz ZIMUXGUIRHOXGN-UHFFFAOYSA-N 0 3 246.379 3.092 20 0 BGADHN CCCN[C@H](C)C(=O)Nc1cccc(C(C)C)c1 ZINC000295339836 169285089 /nfs/dbraw/zinc/28/50/89/169285089.db2.gz BHFRGYHTMAXVFB-GFCCVEGCSA-N 0 3 248.370 3.137 20 0 BGADHN CCCN[C@@H](C)C(=O)Nc1cccc(C(C)C)c1 ZINC000295339848 169274301 /nfs/dbraw/zinc/27/43/01/169274301.db2.gz BHFRGYHTMAXVFB-LBPRGKRZSA-N 0 3 248.370 3.137 20 0 BGADHN Cc1cc(CNc2cccc(N(C)C)n2)cs1 ZINC000295379294 178042789 /nfs/dbraw/zinc/04/27/89/178042789.db2.gz KHQJHLROWFJARF-UHFFFAOYSA-N 0 3 247.367 3.130 20 0 BGADHN CCN(Cc1ccc(C(C)=O)cc1)C(C)C ZINC000295406269 352411458 /nfs/dbraw/zinc/41/14/58/352411458.db2.gz CTGYTDIBNRMICA-UHFFFAOYSA-N 0 3 219.328 3.120 20 0 BGADHN Cc1cccc(CN2CCCSCC2)c1F ZINC000295409715 179073699 /nfs/dbraw/zinc/07/36/99/179073699.db2.gz MWKWILISSDGMPF-UHFFFAOYSA-N 0 3 239.359 3.073 20 0 BGADHN CCCN(CC)Cc1cccc(C(C)=O)c1 ZINC000295410239 169130295 /nfs/dbraw/zinc/13/02/95/169130295.db2.gz DDKMNAUTJMIEDK-UHFFFAOYSA-N 0 3 219.328 3.121 20 0 BGADHN CC(C)N(Cc1ccco1)CC1CCC(=O)CC1 ZINC000295419046 386028680 /nfs/dbraw/zinc/02/86/80/386028680.db2.gz DSOXDCRHOAZTIP-UHFFFAOYSA-N 0 3 249.354 3.249 20 0 BGADHN CN(Cc1ccccc1OC1CC1)CC1CC1 ZINC000295439895 411478126 /nfs/dbraw/zinc/47/81/26/411478126.db2.gz GIZDYJMPFMHQQD-UHFFFAOYSA-N 0 3 231.339 3.070 20 0 BGADHN C[C@@H](NCc1cnc[nH]1)c1cccc(C2CC2)c1 ZINC000295440017 411477898 /nfs/dbraw/zinc/47/78/98/411477898.db2.gz OTMKDZKEOHUKOG-LLVKDONJSA-N 0 3 241.338 3.138 20 0 BGADHN C[C@@H](NCc1c[nH]cn1)c1cccc(C2CC2)c1 ZINC000295440017 411477895 /nfs/dbraw/zinc/47/78/95/411477895.db2.gz OTMKDZKEOHUKOG-LLVKDONJSA-N 0 3 241.338 3.138 20 0 BGADHN C[C@H](NCc1cnc[nH]1)c1cccc(C2CC2)c1 ZINC000295440028 411478085 /nfs/dbraw/zinc/47/80/85/411478085.db2.gz OTMKDZKEOHUKOG-NSHDSACASA-N 0 3 241.338 3.138 20 0 BGADHN C[C@H](NCc1c[nH]cn1)c1cccc(C2CC2)c1 ZINC000295440028 411478082 /nfs/dbraw/zinc/47/80/82/411478082.db2.gz OTMKDZKEOHUKOG-NSHDSACASA-N 0 3 241.338 3.138 20 0 BGADHN Cc1sccc1CN(C(C)C)C1CC1 ZINC000295444551 386034268 /nfs/dbraw/zinc/03/42/68/386034268.db2.gz UTAFJSZQBOSTTH-UHFFFAOYSA-N 0 3 209.358 3.429 20 0 BGADHN CCC(=O)CCCN(Cc1ccco1)C(C)C ZINC000295471292 168197621 /nfs/dbraw/zinc/19/76/21/168197621.db2.gz IQJIHKGAXPQZAP-UHFFFAOYSA-N 0 3 237.343 3.249 20 0 BGADHN Cc1occc1CN(C)CC1CC(F)(F)C1 ZINC000295473407 386036968 /nfs/dbraw/zinc/03/69/68/386036968.db2.gz IUTNPLUIASYNKJ-UHFFFAOYSA-N 0 3 229.270 3.065 20 0 BGADHN Cc1sccc1CN(C)C[C@H]1CCCCO1 ZINC000295481620 386039651 /nfs/dbraw/zinc/03/96/51/386039651.db2.gz XDTCWABWTVANCW-CYBMUJFWSA-N 0 3 239.384 3.057 20 0 BGADHN Cc1sccc1CN(C)C[C@@H]1CCCCO1 ZINC000295481626 386040990 /nfs/dbraw/zinc/04/09/90/386040990.db2.gz XDTCWABWTVANCW-ZDUSSCGKSA-N 0 3 239.384 3.057 20 0 BGADHN Cc1sccc1CN1CC=C(C)CC1 ZINC000295487327 168115230 /nfs/dbraw/zinc/11/52/30/168115230.db2.gz XLJMRSHYXQLJMS-UHFFFAOYSA-N 0 3 207.342 3.209 20 0 BGADHN Cc1cccc(CN(C)CCc2cscn2)c1 ZINC000295512473 179067532 /nfs/dbraw/zinc/06/75/32/179067532.db2.gz LQMHCRKRJREFRY-UHFFFAOYSA-N 0 3 246.379 3.126 20 0 BGADHN C[C@H](CC(C)(C)C)N[C@@H](CCO)c1ccco1 ZINC000295516789 411478675 /nfs/dbraw/zinc/47/86/75/411478675.db2.gz VHVSJIHWHIAYKH-NEPJUHHUSA-N 0 3 239.359 3.117 20 0 BGADHN C[C@@H](CC(C)(C)C)N[C@H](CCO)c1ccco1 ZINC000295516790 411478724 /nfs/dbraw/zinc/47/87/24/411478724.db2.gz VHVSJIHWHIAYKH-NWDGAFQWSA-N 0 3 239.359 3.117 20 0 BGADHN C[C@@H](CC(C)(C)C)N[C@@H](CCO)c1ccco1 ZINC000295516791 411478763 /nfs/dbraw/zinc/47/87/63/411478763.db2.gz VHVSJIHWHIAYKH-RYUDHWBXSA-N 0 3 239.359 3.117 20 0 BGADHN C[C@H](CC(C)(C)C)N[C@H](CCO)c1ccco1 ZINC000295516792 411478645 /nfs/dbraw/zinc/47/86/45/411478645.db2.gz VHVSJIHWHIAYKH-VXGBXAGGSA-N 0 3 239.359 3.117 20 0 BGADHN CSCCCCCNCc1ncc(C)s1 ZINC000295534113 385254639 /nfs/dbraw/zinc/25/46/39/385254639.db2.gz WWSKWWQWXBTXNO-UHFFFAOYSA-N 0 3 244.429 3.074 20 0 BGADHN CCN(Cc1cccc(C(C)=O)c1)CC(C)C ZINC000295553568 352417409 /nfs/dbraw/zinc/41/74/09/352417409.db2.gz PPORZCNICCCCNN-UHFFFAOYSA-N 0 3 233.355 3.367 20 0 BGADHN Cc1cccc(CNCCC(C)(F)F)c1F ZINC000295577882 179090080 /nfs/dbraw/zinc/09/00/80/179090080.db2.gz BENXWLGZZHVONM-UHFFFAOYSA-N 0 3 231.261 3.269 20 0 BGADHN CC(=O)c1cccc(CN(C(C)C)C2CC2)c1 ZINC000295581238 386054186 /nfs/dbraw/zinc/05/41/86/386054186.db2.gz SBGNVFZRHOPLEW-UHFFFAOYSA-N 0 3 231.339 3.262 20 0 BGADHN C[C@H](NCCCC(C)(F)F)c1ccccn1 ZINC000295584695 385951100 /nfs/dbraw/zinc/95/11/00/385951100.db2.gz BQCPQWHVOWUDLU-JTQLQIEISA-N 0 3 228.286 3.168 20 0 BGADHN C[C@@H](NCCCC(C)(F)F)c1ccccn1 ZINC000295584698 175873821 /nfs/dbraw/zinc/87/38/21/175873821.db2.gz BQCPQWHVOWUDLU-SNVBAGLBSA-N 0 3 228.286 3.168 20 0 BGADHN C[C@H](CC(C)(C)C)NCc1ncccc1N(C)C ZINC000295590283 386058751 /nfs/dbraw/zinc/05/87/51/386058751.db2.gz BYPFVVHRZKSDLG-GFCCVEGCSA-N 0 3 249.402 3.062 20 0 BGADHN C[C@@H](CC(C)(C)C)NCc1ncccc1N(C)C ZINC000295590285 386058433 /nfs/dbraw/zinc/05/84/33/386058433.db2.gz BYPFVVHRZKSDLG-LBPRGKRZSA-N 0 3 249.402 3.062 20 0 BGADHN CCC1(CNCc2ncc(C)s2)CCC1 ZINC000295592022 385967923 /nfs/dbraw/zinc/96/79/23/385967923.db2.gz FFNMFYJFDKOZMF-UHFFFAOYSA-N 0 3 224.373 3.121 20 0 BGADHN CC(F)(F)CCC[NH2+]Cc1cc([O-])cc(F)c1 ZINC000295592037 385967546 /nfs/dbraw/zinc/96/75/46/385967546.db2.gz CBMYETDJDKIECL-UHFFFAOYSA-N 0 3 247.260 3.056 20 0 BGADHN C[C@H](c1ccco1)N(C)CC1CC(F)(F)C1 ZINC000295594706 177047249 /nfs/dbraw/zinc/04/72/49/177047249.db2.gz TXLSXCOXZUOUGB-SECBINFHSA-N 0 3 229.270 3.318 20 0 BGADHN C[C@@H](c1ccco1)N(C)CC1CC(F)(F)C1 ZINC000295594710 176031535 /nfs/dbraw/zinc/03/15/35/176031535.db2.gz TXLSXCOXZUOUGB-VIFPVBQESA-N 0 3 229.270 3.318 20 0 BGADHN C[C@@H](CF)NC[C@@H](C)c1cc(F)cc(F)c1 ZINC000295598936 386057499 /nfs/dbraw/zinc/05/74/99/386057499.db2.gz CQPKTJFHLKFHPZ-BDAKNGLRSA-N 0 3 231.261 3.016 20 0 BGADHN C[C@H](CF)NC[C@H](C)c1cc(F)cc(F)c1 ZINC000295598939 386057160 /nfs/dbraw/zinc/05/71/60/386057160.db2.gz CQPKTJFHLKFHPZ-DTWKUNHWSA-N 0 3 231.261 3.016 20 0 BGADHN C[C@@H](CN[C@@H](C)CF)c1cc(F)cc(F)c1 ZINC000295598942 386058494 /nfs/dbraw/zinc/05/84/94/386058494.db2.gz CQPKTJFHLKFHPZ-IUCAKERBSA-N 0 3 231.261 3.016 20 0 BGADHN C[C@H](CF)NC[C@@H](C)c1cc(F)cc(F)c1 ZINC000295598946 386058521 /nfs/dbraw/zinc/05/85/21/386058521.db2.gz CQPKTJFHLKFHPZ-RKDXNWHRSA-N 0 3 231.261 3.016 20 0 BGADHN COc1ccncc1CN[C@H](C)CC(C)(C)C ZINC000295608332 175372865 /nfs/dbraw/zinc/37/28/65/175372865.db2.gz DPKKICBUPGSYCW-LLVKDONJSA-N 0 3 236.359 3.005 20 0 BGADHN COc1ccncc1CN[C@@H](C)CC(C)(C)C ZINC000295608335 175371987 /nfs/dbraw/zinc/37/19/87/175371987.db2.gz DPKKICBUPGSYCW-NSHDSACASA-N 0 3 236.359 3.005 20 0 BGADHN CCCN(CC)Cc1ccc(C(C)=O)cc1 ZINC000295613490 169128774 /nfs/dbraw/zinc/12/87/74/169128774.db2.gz VOOLRYBKLXTFTK-UHFFFAOYSA-N 0 3 219.328 3.121 20 0 BGADHN CCn1cccc1CNc1cc(C)cc(C)n1 ZINC000295639336 172209699 /nfs/dbraw/zinc/20/96/99/172209699.db2.gz IANDGXGEDJIJHR-UHFFFAOYSA-N 0 3 229.327 3.132 20 0 BGADHN CCN(Cc1cccc(C(C)=O)c1)C(C)C ZINC000295641927 352420117 /nfs/dbraw/zinc/42/01/17/352420117.db2.gz YNBVTJRKSWGOMY-UHFFFAOYSA-N 0 3 219.328 3.120 20 0 BGADHN CCCC1(CNCc2cc(F)ncc2F)CC1 ZINC000295662298 386069456 /nfs/dbraw/zinc/06/94/56/386069456.db2.gz JNEVJFLDHXGBPA-UHFFFAOYSA-N 0 3 240.297 3.030 20 0 BGADHN CCCC1(CNCc2ncc(C)s2)CC1 ZINC000295666024 388413486 /nfs/dbraw/zinc/41/34/86/388413486.db2.gz JUELGIGKDXEKRI-UHFFFAOYSA-N 0 3 224.373 3.121 20 0 BGADHN Cc1cnc(CNCCC2=CCCC2)s1 ZINC000295673332 388413377 /nfs/dbraw/zinc/41/33/77/388413377.db2.gz KIMHBVLTNFWCCD-UHFFFAOYSA-N 0 3 222.357 3.042 20 0 BGADHN CC[C@@H](C)C[C@@H](C)NCc1ncc(C)s1 ZINC000295682663 388413833 /nfs/dbraw/zinc/41/38/33/388413833.db2.gz LAQNIIZHRYYCOD-NXEZZACHSA-N 0 3 226.389 3.366 20 0 BGADHN CC[C@H](C)C[C@H](C)NCc1ncc(C)s1 ZINC000295682666 171298374 /nfs/dbraw/zinc/29/83/74/171298374.db2.gz LAQNIIZHRYYCOD-UWVGGRQHSA-N 0 3 226.389 3.366 20 0 BGADHN CC[C@H](C)C[C@@H](C)NCc1ncc(C)s1 ZINC000295682669 171295628 /nfs/dbraw/zinc/29/56/28/171295628.db2.gz LAQNIIZHRYYCOD-VHSXEESVSA-N 0 3 226.389 3.366 20 0 BGADHN CC[C@@H](C)C[C@H](C)NCc1ncc(C)s1 ZINC000295682673 388413094 /nfs/dbraw/zinc/41/30/94/388413094.db2.gz LAQNIIZHRYYCOD-ZJUUUORDSA-N 0 3 226.389 3.366 20 0 BGADHN COCC1CCC(Nc2cc(C)cc(C)n2)CC1 ZINC000295693255 174118267 /nfs/dbraw/zinc/11/82/67/174118267.db2.gz LYKSKWPHSWRLTO-UHFFFAOYSA-N 0 3 248.370 3.316 20 0 BGADHN CC1(C)CCC[C@H]1NCc1cc(F)ncc1F ZINC000295700907 386073404 /nfs/dbraw/zinc/07/34/04/386073404.db2.gz MKCIIPCZYFUTLV-LLVKDONJSA-N 0 3 240.297 3.028 20 0 BGADHN CC1(C)CCC[C@@H]1NCc1cc(F)ncc1F ZINC000295700909 386072944 /nfs/dbraw/zinc/07/29/44/386072944.db2.gz MKCIIPCZYFUTLV-NSHDSACASA-N 0 3 240.297 3.028 20 0 BGADHN CC[C@@H]1CCC[C@H]1NCc1cc(F)ncc1F ZINC000295731111 171001574 /nfs/dbraw/zinc/00/15/74/171001574.db2.gz OERAXOJBELIOAV-BXKDBHETSA-N 0 3 240.297 3.028 20 0 BGADHN CC[C@H]1CCC[C@@H]1NCc1cc(F)ncc1F ZINC000295731114 386080058 /nfs/dbraw/zinc/08/00/58/386080058.db2.gz OERAXOJBELIOAV-CABZTGNLSA-N 0 3 240.297 3.028 20 0 BGADHN CC[C@H]1CCC[C@H]1NCc1cc(F)ncc1F ZINC000295731118 171628312 /nfs/dbraw/zinc/62/83/12/171628312.db2.gz OERAXOJBELIOAV-JOYOIKCWSA-N 0 3 240.297 3.028 20 0 BGADHN CC[C@@H]1CCC[C@@H]1NCc1cc(F)ncc1F ZINC000295731120 352422452 /nfs/dbraw/zinc/42/24/52/352422452.db2.gz OERAXOJBELIOAV-SKDRFNHKSA-N 0 3 240.297 3.028 20 0 BGADHN FC1(F)CC(CN2CCC[C@@H]2c2ccc[nH]2)C1 ZINC000295740962 386078678 /nfs/dbraw/zinc/07/86/78/386078678.db2.gz YBHXZYCTICOXIK-GFCCVEGCSA-N 0 3 240.297 3.197 20 0 BGADHN FC1(F)CC(CN2CCC[C@H]2c2ccc[nH]2)C1 ZINC000295740963 386077887 /nfs/dbraw/zinc/07/78/87/386077887.db2.gz YBHXZYCTICOXIK-LBPRGKRZSA-N 0 3 240.297 3.197 20 0 BGADHN Cc1cnc([C@@H](C)NCC2CC(F)(F)C2)s1 ZINC000295746482 388413602 /nfs/dbraw/zinc/41/36/02/388413602.db2.gz NIZUFEWANLTKSI-MRVPVSSYSA-N 0 3 246.326 3.147 20 0 BGADHN Cc1cnc([C@H](C)NCC2CC(F)(F)C2)s1 ZINC000295746484 388413473 /nfs/dbraw/zinc/41/34/73/388413473.db2.gz NIZUFEWANLTKSI-QMMMGPOBSA-N 0 3 246.326 3.147 20 0 BGADHN Cc1cc(C)nc(N[C@@H]2CCOC3(CCC3)C2)c1 ZINC000295746837 386078604 /nfs/dbraw/zinc/07/86/04/386078604.db2.gz PHHDCPSSQPUBCV-CYBMUJFWSA-N 0 3 246.354 3.212 20 0 BGADHN Cc1cc(C)nc(N[C@H]2CCOC3(CCC3)C2)c1 ZINC000295746839 386078834 /nfs/dbraw/zinc/07/88/34/386078834.db2.gz PHHDCPSSQPUBCV-ZDUSSCGKSA-N 0 3 246.354 3.212 20 0 BGADHN CC(=O)c1ccc(CN2CCCC3(CC3)C2)cc1 ZINC000295752085 386081798 /nfs/dbraw/zinc/08/17/98/386081798.db2.gz NWOXSDXBSNLKGU-UHFFFAOYSA-N 0 3 243.350 3.265 20 0 BGADHN Cc1cc(C)nc(NCc2ccncc2C)c1 ZINC000295767875 177946134 /nfs/dbraw/zinc/94/61/34/177946134.db2.gz QQVNFWLLJXQEPL-UHFFFAOYSA-N 0 3 227.311 3.014 20 0 BGADHN Cc1ccccc1CCN(C)CCC(F)(F)F ZINC000295780091 179263963 /nfs/dbraw/zinc/26/39/63/179263963.db2.gz UFGSYUQKZNKIMZ-UHFFFAOYSA-N 0 3 245.288 3.422 20 0 BGADHN Cc1cccc(CN[C@@H]2CCCSC2)c1F ZINC000295792543 179097597 /nfs/dbraw/zinc/09/75/97/179097597.db2.gz SEPDCOSZVGODRM-GFCCVEGCSA-N 0 3 239.359 3.119 20 0 BGADHN Cc1cccc(CN[C@H]2CCCSC2)c1F ZINC000295792547 179101513 /nfs/dbraw/zinc/10/15/13/179101513.db2.gz SEPDCOSZVGODRM-LBPRGKRZSA-N 0 3 239.359 3.119 20 0 BGADHN CC/C=C/CN[C@H](C)c1ccc(Cl)nc1 ZINC000295850059 386095661 /nfs/dbraw/zinc/09/56/61/386095661.db2.gz AZIQRUNHVVQPRO-ORAHPGNNSA-N 0 3 224.735 3.352 20 0 BGADHN CC/C=C/CN[C@@H](C)c1ccc(Cl)nc1 ZINC000295850060 386095202 /nfs/dbraw/zinc/09/52/02/386095202.db2.gz AZIQRUNHVVQPRO-YEZKRMTDSA-N 0 3 224.735 3.352 20 0 BGADHN CCn1ccnc1[C@@H](C)NCCC1=CCCCC1 ZINC000295850505 172228333 /nfs/dbraw/zinc/22/83/33/172228333.db2.gz GBSKDNQYJFFNAC-CYBMUJFWSA-N 0 3 247.386 3.444 20 0 BGADHN CCn1ccnc1[C@H](C)NCCC1=CCCCC1 ZINC000295850508 172229805 /nfs/dbraw/zinc/22/98/05/172229805.db2.gz GBSKDNQYJFFNAC-ZDUSSCGKSA-N 0 3 247.386 3.444 20 0 BGADHN Cc1ccc([C@@H](C)NCCc2ncccc2C)o1 ZINC000295851834 388414109 /nfs/dbraw/zinc/41/41/09/388414109.db2.gz BAVJHEOBPSUJBW-CYBMUJFWSA-N 0 3 244.338 3.185 20 0 BGADHN Cc1ccc([C@H](C)NCCc2ncccc2C)o1 ZINC000295851836 388414725 /nfs/dbraw/zinc/41/47/25/388414725.db2.gz BAVJHEOBPSUJBW-ZDUSSCGKSA-N 0 3 244.338 3.185 20 0 BGADHN CC/C=C/CN[C@H](C)c1ccc(NC(C)=O)cc1 ZINC000295859969 386096296 /nfs/dbraw/zinc/09/62/96/386096296.db2.gz BLJTUOZRVXAYCX-BTDICHCPSA-N 0 3 246.354 3.262 20 0 BGADHN CC/C=C/CN[C@@H](C)c1ccc(NC(C)=O)cc1 ZINC000295859975 386095097 /nfs/dbraw/zinc/09/50/97/386095097.db2.gz BLJTUOZRVXAYCX-FYJFLYSWSA-N 0 3 246.354 3.262 20 0 BGADHN CCC(=O)CCCN1CCc2cccc(C)c2C1 ZINC000295864890 168201307 /nfs/dbraw/zinc/20/13/07/168201307.db2.gz CDTIUEDNLVNBSR-UHFFFAOYSA-N 0 3 245.366 3.112 20 0 BGADHN C[C@H](N[C@H]1C[C@@H](O)C1)c1ccc2ccccc2c1 ZINC000295886149 386101316 /nfs/dbraw/zinc/10/13/16/386101316.db2.gz HKKYXBQGOSOZLK-KNXALSJPSA-N 0 3 241.334 3.014 20 0 BGADHN C[C@@H](N[C@H]1C[C@@H](O)C1)c1ccc2ccccc2c1 ZINC000295886154 386101054 /nfs/dbraw/zinc/10/10/54/386101054.db2.gz HKKYXBQGOSOZLK-LYRGGWFBSA-N 0 3 241.334 3.014 20 0 BGADHN CCC(CC)(CC)NCc1cc(F)ncc1F ZINC000295894921 168317605 /nfs/dbraw/zinc/31/76/05/168317605.db2.gz YSWNKANUWLICMP-UHFFFAOYSA-N 0 3 242.313 3.418 20 0 BGADHN CO[C@H](CNCc1csc(C)c1)C(C)(C)C ZINC000295900925 386102844 /nfs/dbraw/zinc/10/28/44/386102844.db2.gz YYKAEUGZCLDTLE-GFCCVEGCSA-N 0 3 241.400 3.207 20 0 BGADHN CO[C@@H](CNCc1csc(C)c1)C(C)(C)C ZINC000295900927 386103968 /nfs/dbraw/zinc/10/39/68/386103968.db2.gz YYKAEUGZCLDTLE-LBPRGKRZSA-N 0 3 241.400 3.207 20 0 BGADHN CC[C@@H](C)C[C@@H](C)NCc1cc(F)ncc1F ZINC000295900940 386104158 /nfs/dbraw/zinc/10/41/58/386104158.db2.gz YYPKQRJNIVRDEM-NXEZZACHSA-N 0 3 242.313 3.274 20 0 BGADHN CC[C@H](C)C[C@H](C)NCc1cc(F)ncc1F ZINC000295900943 171297933 /nfs/dbraw/zinc/29/79/33/171297933.db2.gz YYPKQRJNIVRDEM-UWVGGRQHSA-N 0 3 242.313 3.274 20 0 BGADHN CC[C@H](C)C[C@@H](C)NCc1cc(F)ncc1F ZINC000295900946 171295725 /nfs/dbraw/zinc/29/57/25/171295725.db2.gz YYPKQRJNIVRDEM-VHSXEESVSA-N 0 3 242.313 3.274 20 0 BGADHN CC[C@@H](C)C[C@H](C)NCc1cc(F)ncc1F ZINC000295900950 386102548 /nfs/dbraw/zinc/10/25/48/386102548.db2.gz YYPKQRJNIVRDEM-ZJUUUORDSA-N 0 3 242.313 3.274 20 0 BGADHN CCn1cc([C@H](C)N[C@@H]2C=CCCCCC2)cn1 ZINC000295901498 172197945 /nfs/dbraw/zinc/19/79/45/172197945.db2.gz DEJNNGFLOSVEDI-DZGCQCFKSA-N 0 3 247.386 3.443 20 0 BGADHN CCn1cc([C@@H](C)N[C@H]2C=CCCCCC2)cn1 ZINC000295901501 172195041 /nfs/dbraw/zinc/19/50/41/172195041.db2.gz DEJNNGFLOSVEDI-HIFRSBDPSA-N 0 3 247.386 3.443 20 0 BGADHN CCn1cc([C@@H](C)N[C@@H]2C=CCCCCC2)cn1 ZINC000295901504 172195086 /nfs/dbraw/zinc/19/50/86/172195086.db2.gz DEJNNGFLOSVEDI-UKRRQHHQSA-N 0 3 247.386 3.443 20 0 BGADHN C[C@@H](NCC1=CCCCC1)c1ccncc1 ZINC000295901688 383883314 /nfs/dbraw/zinc/88/33/14/383883314.db2.gz CQCFIOVXQKQGSA-GFCCVEGCSA-N 0 3 216.328 3.233 20 0 BGADHN C[C@H](NCC1=CCCCC1)c1ccncc1 ZINC000295901691 383882315 /nfs/dbraw/zinc/88/23/15/383882315.db2.gz CQCFIOVXQKQGSA-LBPRGKRZSA-N 0 3 216.328 3.233 20 0 BGADHN CCn1cc([C@H](C)N[C@H]2C=CCCCCC2)cn1 ZINC000295903012 172197041 /nfs/dbraw/zinc/19/70/41/172197041.db2.gz DEJNNGFLOSVEDI-ZFWWWQNUSA-N 0 3 247.386 3.443 20 0 BGADHN CCc1nc(CNCCCC(C)(F)F)cs1 ZINC000295925871 171984696 /nfs/dbraw/zinc/98/46/96/171984696.db2.gz FIPPILTUOADPKP-UHFFFAOYSA-N 0 3 248.342 3.231 20 0 BGADHN Cc1cnccc1CN1CC(C)(C)[C@@H]1C1CC1 ZINC000295932054 386107921 /nfs/dbraw/zinc/10/79/21/386107921.db2.gz FSGOLMYWTQPRLQ-AWEZNQCLSA-N 0 3 230.355 3.010 20 0 BGADHN Cc1cnccc1CN1CC(C)(C)[C@H]1C1CC1 ZINC000295932064 386109196 /nfs/dbraw/zinc/10/91/96/386109196.db2.gz FSGOLMYWTQPRLQ-CQSZACIVSA-N 0 3 230.355 3.010 20 0 BGADHN CCC(CC)N(CC)Cc1cc(F)ncc1F ZINC000295940667 168371393 /nfs/dbraw/zinc/37/13/93/168371393.db2.gz GIYQQISCKJEJFI-UHFFFAOYSA-N 0 3 242.313 3.370 20 0 BGADHN c1cncc(C2=CCCN([C@H]3C=CCCC3)C2)c1 ZINC000295958651 188214376 /nfs/dbraw/zinc/21/43/76/188214376.db2.gz MNRCUGISPBMDLL-INIZCTEOSA-N 0 3 240.350 3.279 20 0 BGADHN c1cncc(C2=CCCN([C@@H]3C=CCCC3)C2)c1 ZINC000295958653 386113879 /nfs/dbraw/zinc/11/38/79/386113879.db2.gz MNRCUGISPBMDLL-MRXNPFEDSA-N 0 3 240.350 3.279 20 0 BGADHN Cc1ccoc1CNCCCC(C)(F)F ZINC000295973751 388415347 /nfs/dbraw/zinc/41/53/47/388415347.db2.gz IUZRVZPINRSJQV-UHFFFAOYSA-N 0 3 217.259 3.113 20 0 BGADHN Cc1ccnc([C@@H](C)NCCCC(C)(F)F)c1 ZINC000295991371 491115847 /nfs/dbraw/zinc/11/58/47/491115847.db2.gz KEQZIADDEIGKKA-LLVKDONJSA-N 0 3 242.313 3.476 20 0 BGADHN Cc1ccnc([C@H](C)NCCCC(C)(F)F)c1 ZINC000295991390 179466022 /nfs/dbraw/zinc/46/60/22/179466022.db2.gz KEQZIADDEIGKKA-NSHDSACASA-N 0 3 242.313 3.476 20 0 BGADHN C[C@@H](NCCC(C)(F)F)c1ccc(Cl)nc1 ZINC000295997904 398136742 /nfs/dbraw/zinc/13/67/42/398136742.db2.gz MMOHHXOHWJALSH-MRVPVSSYSA-N 0 3 248.704 3.431 20 0 BGADHN C[C@H](NCCC(C)(F)F)c1ccc(Cl)nc1 ZINC000295997907 398137041 /nfs/dbraw/zinc/13/70/41/398137041.db2.gz MMOHHXOHWJALSH-QMMMGPOBSA-N 0 3 248.704 3.431 20 0 BGADHN CC(F)(F)CCCNCc1cccc(F)c1F ZINC000296003220 383906590 /nfs/dbraw/zinc/90/65/90/383906590.db2.gz LATALQHXXBIRMX-UHFFFAOYSA-N 0 3 249.251 3.490 20 0 BGADHN CC(F)(F)CCCNCc1c(F)cccc1F ZINC000296005442 383905955 /nfs/dbraw/zinc/90/59/55/383905955.db2.gz LFMXWYVUNWNKGZ-UHFFFAOYSA-N 0 3 249.251 3.490 20 0 BGADHN CC[C@@H]1CCC[C@H]1NCc1csc(Cl)n1 ZINC000296007221 171001414 /nfs/dbraw/zinc/00/14/14/171001414.db2.gz NFMHSTUSZKAYNR-PSASIEDQSA-N 0 3 244.791 3.465 20 0 BGADHN CC[C@@H]1CCC[C@@H]1NCc1csc(Cl)n1 ZINC000296007225 386120599 /nfs/dbraw/zinc/12/05/99/386120599.db2.gz NFMHSTUSZKAYNR-SCZZXKLOSA-N 0 3 244.791 3.465 20 0 BGADHN CC[C@H]1CCC[C@H]1NCc1csc(Cl)n1 ZINC000296007230 386120914 /nfs/dbraw/zinc/12/09/14/386120914.db2.gz NFMHSTUSZKAYNR-WCBMZHEXSA-N 0 3 244.791 3.465 20 0 BGADHN CC[C@H]1CCC[C@@H]1NCc1csc(Cl)n1 ZINC000296007236 386120944 /nfs/dbraw/zinc/12/09/44/386120944.db2.gz NFMHSTUSZKAYNR-WPRPVWTQSA-N 0 3 244.791 3.465 20 0 BGADHN CC(F)(F)CCCNCc1cc(F)ccc1F ZINC000296023703 388417251 /nfs/dbraw/zinc/41/72/51/388417251.db2.gz MOIKSOPVMDZLMJ-UHFFFAOYSA-N 0 3 249.251 3.490 20 0 BGADHN Cc1cnccc1CN1CC2(CCC2)[C@@H]1C(C)C ZINC000296031501 386126315 /nfs/dbraw/zinc/12/63/15/386126315.db2.gz NHXOKEQTLYXSOE-HNNXBMFYSA-N 0 3 244.382 3.401 20 0 BGADHN Cc1cnccc1CN1CC2(CCC2)[C@H]1C(C)C ZINC000296031505 386126682 /nfs/dbraw/zinc/12/66/82/386126682.db2.gz NHXOKEQTLYXSOE-OAHLLOKOSA-N 0 3 244.382 3.401 20 0 BGADHN C[C@@H]1CCC[C@@H]1NCc1csc(Cl)n1 ZINC000296076758 176131643 /nfs/dbraw/zinc/13/16/43/176131643.db2.gz SETBLNNWJUIVTG-APPZFPTMSA-N 0 3 230.764 3.075 20 0 BGADHN C[C@H]1CCC[C@@H]1NCc1csc(Cl)n1 ZINC000296076770 177126368 /nfs/dbraw/zinc/12/63/68/177126368.db2.gz SETBLNNWJUIVTG-CBAPKCEASA-N 0 3 230.764 3.075 20 0 BGADHN C[C@H]1CCC[C@H]1NCc1csc(Cl)n1 ZINC000296076778 177143033 /nfs/dbraw/zinc/14/30/33/177143033.db2.gz SETBLNNWJUIVTG-IONNQARKSA-N 0 3 230.764 3.075 20 0 BGADHN C[C@@H]1CCC[C@H]1NCc1csc(Cl)n1 ZINC000296076789 176150879 /nfs/dbraw/zinc/15/08/79/176150879.db2.gz SETBLNNWJUIVTG-VXNVDRBHSA-N 0 3 230.764 3.075 20 0 BGADHN CC(C)=CCN1CCC=C(c2cccnc2)C1 ZINC000296077039 386133301 /nfs/dbraw/zinc/13/33/01/386133301.db2.gz VRWJMLZDYVVASM-UHFFFAOYSA-N 0 3 228.339 3.137 20 0 BGADHN Cc1cc(CN(C(C)C)[C@@H]2CCOC2)cs1 ZINC000296077233 386131352 /nfs/dbraw/zinc/13/13/52/386131352.db2.gz QGLWBAFBXVYQGG-CYBMUJFWSA-N 0 3 239.384 3.056 20 0 BGADHN Cc1cc(CN(C(C)C)[C@H]2CCOC2)cs1 ZINC000296077247 386131592 /nfs/dbraw/zinc/13/15/92/386131592.db2.gz QGLWBAFBXVYQGG-ZDUSSCGKSA-N 0 3 239.384 3.056 20 0 BGADHN CC(F)(F)CCCNCc1cccnc1Cl ZINC000296088835 386135435 /nfs/dbraw/zinc/13/54/35/386135435.db2.gz RAQVZEPKSDYFEM-UHFFFAOYSA-N 0 3 248.704 3.260 20 0 BGADHN Cc1ccnc([C@H](C)NCCC(C)(F)F)c1 ZINC000296100933 179466672 /nfs/dbraw/zinc/46/66/72/179466672.db2.gz RVKFYDRBUJSTFR-JTQLQIEISA-N 0 3 228.286 3.086 20 0 BGADHN Cc1ccnc([C@@H](C)NCCC(C)(F)F)c1 ZINC000296100935 386137320 /nfs/dbraw/zinc/13/73/20/386137320.db2.gz RVKFYDRBUJSTFR-SNVBAGLBSA-N 0 3 228.286 3.086 20 0 BGADHN CC(C)=CCN1CCC[C@H](c2ccncc2)C1 ZINC000296125918 386139974 /nfs/dbraw/zinc/13/99/74/386139974.db2.gz YREJXCDSTBJPEB-HNNXBMFYSA-N 0 3 230.355 3.227 20 0 BGADHN CC(C)=CCN1CCC[C@@H](c2ccncc2)C1 ZINC000296125922 188039456 /nfs/dbraw/zinc/03/94/56/188039456.db2.gz YREJXCDSTBJPEB-OAHLLOKOSA-N 0 3 230.355 3.227 20 0 BGADHN Cc1cnccc1CN1CC2(CCC2)[C@@H]1C1CC1 ZINC000296129808 386139909 /nfs/dbraw/zinc/13/99/09/386139909.db2.gz UKUPGRUOAUNYBN-HNNXBMFYSA-N 0 3 242.366 3.155 20 0 BGADHN Cc1cnccc1CN1CC2(CCC2)[C@H]1C1CC1 ZINC000296129812 386139990 /nfs/dbraw/zinc/13/99/90/386139990.db2.gz UKUPGRUOAUNYBN-OAHLLOKOSA-N 0 3 242.366 3.155 20 0 BGADHN CC1=CCCN(CCCC(=O)c2ccccc2)C1 ZINC000296133818 168098243 /nfs/dbraw/zinc/09/82/43/168098243.db2.gz WUFWHULPRSDSPX-UHFFFAOYSA-N 0 3 243.350 3.302 20 0 BGADHN CC(F)(F)CCNC/C=C/c1ccc(F)cc1 ZINC000296136006 386139552 /nfs/dbraw/zinc/13/95/52/386139552.db2.gz UUEVVNVJGOBLCN-NSCUHMNNSA-N 0 3 243.272 3.474 20 0 BGADHN CCOCC(C)(C)NCc1cccc(C)c1F ZINC000296145061 170354939 /nfs/dbraw/zinc/35/49/39/170354939.db2.gz VLNLEXGGZSGWPJ-UHFFFAOYSA-N 0 3 239.334 3.039 20 0 BGADHN CCn1cc([C@@H](C)NCC2=CCCCC2)cn1 ZINC000296149928 172192242 /nfs/dbraw/zinc/19/22/42/172192242.db2.gz SHXZZPYECXSZQC-GFCCVEGCSA-N 0 3 233.359 3.054 20 0 BGADHN CCn1cc([C@H](C)NCC2=CCCCC2)cn1 ZINC000296149937 172195942 /nfs/dbraw/zinc/19/59/42/172195942.db2.gz SHXZZPYECXSZQC-LBPRGKRZSA-N 0 3 233.359 3.054 20 0 BGADHN Cc1ccc(CNCCCC(C)(F)F)o1 ZINC000296151368 388418041 /nfs/dbraw/zinc/41/80/41/388418041.db2.gz VXPYVETZGKNMLN-UHFFFAOYSA-N 0 3 217.259 3.113 20 0 BGADHN COc1cc(CNCCC(C)(F)F)ccc1C ZINC000296162666 386146025 /nfs/dbraw/zinc/14/60/25/386146025.db2.gz WPYANRKGQBZQFW-UHFFFAOYSA-N 0 3 243.297 3.139 20 0 BGADHN CC(=O)c1cccc(CN(C)C2CCCC2)c1 ZINC000296196783 386149109 /nfs/dbraw/zinc/14/91/09/386149109.db2.gz BVNQRFFBZVQKJH-UHFFFAOYSA-N 0 3 231.339 3.264 20 0 BGADHN Cc1cc(CN(C)Cc2ccc(O)cc2)cs1 ZINC000296198480 386149685 /nfs/dbraw/zinc/14/96/85/386149685.db2.gz YZTJAELQSQVWEO-UHFFFAOYSA-N 0 3 247.363 3.394 20 0 BGADHN C[C@H](CCCCO)Nc1ccnc2ccccc21 ZINC000296207262 388418636 /nfs/dbraw/zinc/41/86/36/388418636.db2.gz FUGQJVVZABFZPA-GFCCVEGCSA-N 0 3 244.338 3.198 20 0 BGADHN C[C@@H](CCCCO)Nc1ccnc2ccccc21 ZINC000296207265 388418064 /nfs/dbraw/zinc/41/80/64/388418064.db2.gz FUGQJVVZABFZPA-LBPRGKRZSA-N 0 3 244.338 3.198 20 0 BGADHN CS[C@@H]1CCN([C@H](C)c2ccccc2F)C1 ZINC000296207610 386151676 /nfs/dbraw/zinc/15/16/76/386151676.db2.gz JNIIIXMCIVEHOS-GHMZBOCLSA-N 0 3 239.359 3.324 20 0 BGADHN CS[C@H]1CCN([C@H](C)c2ccccc2F)C1 ZINC000296207611 386152137 /nfs/dbraw/zinc/15/21/37/386152137.db2.gz JNIIIXMCIVEHOS-MNOVXSKESA-N 0 3 239.359 3.324 20 0 BGADHN CS[C@H]1CCN([C@@H](C)c2ccccc2F)C1 ZINC000296207612 386151782 /nfs/dbraw/zinc/15/17/82/386151782.db2.gz JNIIIXMCIVEHOS-QWRGUYRKSA-N 0 3 239.359 3.324 20 0 BGADHN CS[C@@H]1CCN([C@@H](C)c2ccccc2F)C1 ZINC000296207613 386152355 /nfs/dbraw/zinc/15/23/55/386152355.db2.gz JNIIIXMCIVEHOS-WDEREUQCSA-N 0 3 239.359 3.324 20 0 BGADHN C[C@@H](NCCCC(C)(F)F)c1cncs1 ZINC000296245785 398208959 /nfs/dbraw/zinc/20/89/59/398208959.db2.gz AZVNKVTYUATEOI-MRVPVSSYSA-N 0 3 234.315 3.229 20 0 BGADHN C[C@H](NCCCC(C)(F)F)c1cncs1 ZINC000296245790 387593603 /nfs/dbraw/zinc/59/36/03/387593603.db2.gz AZVNKVTYUATEOI-QMMMGPOBSA-N 0 3 234.315 3.229 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1CN[C@@H](C)c1cnccn1 ZINC000296259348 352441120 /nfs/dbraw/zinc/44/11/20/352441120.db2.gz DDIDHFXKUSHJCO-BFHYXJOUSA-N 0 3 247.386 3.344 20 0 BGADHN CC[C@@H]1CCCC[C@H]1CN[C@H](C)c1cnccn1 ZINC000296259350 352441181 /nfs/dbraw/zinc/44/11/81/352441181.db2.gz DDIDHFXKUSHJCO-MCIONIFRSA-N 0 3 247.386 3.344 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1CN[C@H](C)c1cnccn1 ZINC000296259351 352440660 /nfs/dbraw/zinc/44/06/60/352440660.db2.gz DDIDHFXKUSHJCO-MGPQQGTHSA-N 0 3 247.386 3.344 20 0 BGADHN CC[C@@H]1CCCC[C@H]1CN[C@@H](C)c1cnccn1 ZINC000296259353 352441263 /nfs/dbraw/zinc/44/12/63/352441263.db2.gz DDIDHFXKUSHJCO-MJBXVCDLSA-N 0 3 247.386 3.344 20 0 BGADHN CN(Cc1ccccc1F)CC1CC(F)(F)C1 ZINC000296263142 386155523 /nfs/dbraw/zinc/15/55/23/386155523.db2.gz GJGSWXAYFSSDNR-UHFFFAOYSA-N 0 3 243.272 3.303 20 0 BGADHN Cc1cccnc1CCCN[C@H](C)c1ccco1 ZINC000296266919 179369188 /nfs/dbraw/zinc/36/91/88/179369188.db2.gz DMDMDOJQJNPPBV-CYBMUJFWSA-N 0 3 244.338 3.266 20 0 BGADHN Cc1cccnc1CCCN[C@@H](C)c1ccco1 ZINC000296266922 179369507 /nfs/dbraw/zinc/36/95/07/179369507.db2.gz DMDMDOJQJNPPBV-ZDUSSCGKSA-N 0 3 244.338 3.266 20 0 BGADHN CCC1(N[C@@H]2CCCc3occc32)CC1 ZINC000296272330 386155915 /nfs/dbraw/zinc/15/59/15/386155915.db2.gz DQQMOXHOQBCKCR-LLVKDONJSA-N 0 3 205.301 3.189 20 0 BGADHN CCC1(N[C@H]2CCCc3occc32)CC1 ZINC000296272332 386155455 /nfs/dbraw/zinc/15/54/55/386155455.db2.gz DQQMOXHOQBCKCR-NSHDSACASA-N 0 3 205.301 3.189 20 0 BGADHN CC/C=C/CN[C@H](C)c1cnn(C(C)C)c1 ZINC000296293347 386158854 /nfs/dbraw/zinc/15/88/54/386158854.db2.gz FOOJNUNGQSUGON-NNNHXZLVSA-N 0 3 221.348 3.081 20 0 BGADHN CC/C=C/CN[C@@H](C)c1cnn(C(C)C)c1 ZINC000296293351 386158387 /nfs/dbraw/zinc/15/83/87/386158387.db2.gz FOOJNUNGQSUGON-SYTKJHMZSA-N 0 3 221.348 3.081 20 0 BGADHN CCc1ccc([C@@H](C)N[C@H](C)CC(C)(C)O)o1 ZINC000296295842 386160008 /nfs/dbraw/zinc/16/00/08/386160008.db2.gz FSJGQSZHZGWVNE-GHMZBOCLSA-N 0 3 239.359 3.042 20 0 BGADHN CCc1ccc([C@H](C)N[C@H](C)CC(C)(C)O)o1 ZINC000296295844 386159508 /nfs/dbraw/zinc/15/95/08/386159508.db2.gz FSJGQSZHZGWVNE-MNOVXSKESA-N 0 3 239.359 3.042 20 0 BGADHN CCc1ccc([C@H](C)N[C@@H](C)CC(C)(C)O)o1 ZINC000296295846 386159555 /nfs/dbraw/zinc/15/95/55/386159555.db2.gz FSJGQSZHZGWVNE-QWRGUYRKSA-N 0 3 239.359 3.042 20 0 BGADHN CCc1ccc([C@@H](C)N[C@@H](C)CC(C)(C)O)o1 ZINC000296295850 386159385 /nfs/dbraw/zinc/15/93/85/386159385.db2.gz FSJGQSZHZGWVNE-WDEREUQCSA-N 0 3 239.359 3.042 20 0 BGADHN Cc1cnccc1CNC(C)(C)c1ccccc1 ZINC000296319351 179702252 /nfs/dbraw/zinc/70/22/52/179702252.db2.gz HBTSOWVYWCCFAV-UHFFFAOYSA-N 0 3 240.350 3.415 20 0 BGADHN CC/C=C/CN[C@H](C)c1cccc(O)c1 ZINC000296321516 388421757 /nfs/dbraw/zinc/42/17/57/388421757.db2.gz GUMDBZHMKQRSMK-SGUJLRQBSA-N 0 3 205.301 3.009 20 0 BGADHN CC/C=C/CN[C@@H](C)c1cccc(O)c1 ZINC000296321517 388421827 /nfs/dbraw/zinc/42/18/27/388421827.db2.gz GUMDBZHMKQRSMK-ZWNMCFTASA-N 0 3 205.301 3.009 20 0 BGADHN CC/C=C/CN[C@H](C)c1ccc(OC)c(OC)c1 ZINC000296343535 167857864 /nfs/dbraw/zinc/85/78/64/167857864.db2.gz HYSXYRJIURZYDZ-NNNHXZLVSA-N 0 3 249.354 3.321 20 0 BGADHN CC/C=C/CN[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000296343538 384061517 /nfs/dbraw/zinc/06/15/17/384061517.db2.gz HYSXYRJIURZYDZ-SYTKJHMZSA-N 0 3 249.354 3.321 20 0 BGADHN CCC1(N[C@H](C)c2ccc(Cl)cn2)CC1 ZINC000296344995 386163862 /nfs/dbraw/zinc/16/38/62/386163862.db2.gz HZMQUWKYMQVZNK-SECBINFHSA-N 0 3 224.735 3.328 20 0 BGADHN CCC1(N[C@@H](C)c2ccc(Cl)cn2)CC1 ZINC000296344999 386163306 /nfs/dbraw/zinc/16/33/06/386163306.db2.gz HZMQUWKYMQVZNK-VIFPVBQESA-N 0 3 224.735 3.328 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2CCOC2(C)C)oc1C ZINC000296349018 178257554 /nfs/dbraw/zinc/25/75/54/178257554.db2.gz IFVZHGJKGICLEZ-GWCFXTLKSA-N 0 3 237.343 3.115 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CCOC2(C)C)oc1C ZINC000296349020 178254101 /nfs/dbraw/zinc/25/41/01/178254101.db2.gz IFVZHGJKGICLEZ-GXFFZTMASA-N 0 3 237.343 3.115 20 0 BGADHN Cc1cc([C@@H](C)N[C@H]2CCOC2(C)C)oc1C ZINC000296349023 178232720 /nfs/dbraw/zinc/23/27/20/178232720.db2.gz IFVZHGJKGICLEZ-MFKMUULPSA-N 0 3 237.343 3.115 20 0 BGADHN Cc1cc([C@@H](C)N[C@@H]2CCOC2(C)C)oc1C ZINC000296349024 178230700 /nfs/dbraw/zinc/23/07/00/178230700.db2.gz IFVZHGJKGICLEZ-ZWNOBZJWSA-N 0 3 237.343 3.115 20 0 BGADHN C[C@@H](NCC1=CCCCC1)c1cccnc1 ZINC000296349736 388423300 /nfs/dbraw/zinc/42/33/00/388423300.db2.gz QYNOVDVKAJKUHX-GFCCVEGCSA-N 0 3 216.328 3.233 20 0 BGADHN C[C@H](NCC1=CCCCC1)c1cccnc1 ZINC000296349740 388423280 /nfs/dbraw/zinc/42/32/80/388423280.db2.gz QYNOVDVKAJKUHX-LBPRGKRZSA-N 0 3 216.328 3.233 20 0 BGADHN CC[C@@H](N[C@@H](C)[C@@H](C)OC)c1ccsc1 ZINC000296353688 352443432 /nfs/dbraw/zinc/44/34/32/352443432.db2.gz HOXBWDNLFKNWJY-HOSYDEDBSA-N 0 3 227.373 3.212 20 0 BGADHN CC[C@@H](N[C@@H](C)[C@H](C)OC)c1ccsc1 ZINC000296353692 352443338 /nfs/dbraw/zinc/44/33/38/352443338.db2.gz HOXBWDNLFKNWJY-JBLDHEPKSA-N 0 3 227.373 3.212 20 0 BGADHN CC[C@H](N[C@@H](C)[C@H](C)OC)c1ccsc1 ZINC000296353693 386167455 /nfs/dbraw/zinc/16/74/55/386167455.db2.gz HOXBWDNLFKNWJY-NHCYSSNCSA-N 0 3 227.373 3.212 20 0 BGADHN CC[C@H](N[C@@H](C)[C@@H](C)OC)c1ccsc1 ZINC000296353696 386165832 /nfs/dbraw/zinc/16/58/32/386165832.db2.gz HOXBWDNLFKNWJY-UMNHJUIQSA-N 0 3 227.373 3.212 20 0 BGADHN CC/C=C/CN[C@@H]1CCCc2nc(C)sc21 ZINC000296365543 386167094 /nfs/dbraw/zinc/16/70/94/386167094.db2.gz IXTZGMARTDCWBK-SGUJLRQBSA-N 0 3 236.384 3.385 20 0 BGADHN CC/C=C/CN[C@H]1CCCc2nc(C)sc21 ZINC000296365548 386167287 /nfs/dbraw/zinc/16/72/87/386167287.db2.gz IXTZGMARTDCWBK-ZWNMCFTASA-N 0 3 236.384 3.385 20 0 BGADHN CCC1(N[C@@H](C)c2cc(C)oc2C)CC1 ZINC000296376342 386168376 /nfs/dbraw/zinc/16/83/76/386168376.db2.gz JKKAZYYBFWCMFS-JTQLQIEISA-N 0 3 207.317 3.490 20 0 BGADHN CCC1(N[C@H](C)c2cc(C)oc2C)CC1 ZINC000296376348 386168498 /nfs/dbraw/zinc/16/84/98/386168498.db2.gz JKKAZYYBFWCMFS-SNVBAGLBSA-N 0 3 207.317 3.490 20 0 BGADHN CO[C@@H](C)[C@H](C)N[C@H](C)c1csc(C)c1 ZINC000296387509 398137875 /nfs/dbraw/zinc/13/78/75/398137875.db2.gz JPLAGSCNPSOHFP-AXFHLTTASA-N 0 3 227.373 3.131 20 0 BGADHN CO[C@@H](C)[C@H](C)N[C@@H](C)c1csc(C)c1 ZINC000296387513 398137805 /nfs/dbraw/zinc/13/78/05/398137805.db2.gz JPLAGSCNPSOHFP-DCAQKATOSA-N 0 3 227.373 3.131 20 0 BGADHN CO[C@H](C)[C@H](C)N[C@@H](C)c1csc(C)c1 ZINC000296387516 398137918 /nfs/dbraw/zinc/13/79/18/398137918.db2.gz JPLAGSCNPSOHFP-GARJFASQSA-N 0 3 227.373 3.131 20 0 BGADHN CO[C@H](C)[C@H](C)N[C@H](C)c1csc(C)c1 ZINC000296387520 398137975 /nfs/dbraw/zinc/13/79/75/398137975.db2.gz JPLAGSCNPSOHFP-HBNTYKKESA-N 0 3 227.373 3.131 20 0 BGADHN CCc1ccc([C@H](C)N[C@H](C)CCCCO)o1 ZINC000296407301 386170907 /nfs/dbraw/zinc/17/09/07/386170907.db2.gz KSLPRXWEZIFCLE-NEPJUHHUSA-N 0 3 239.359 3.044 20 0 BGADHN CCc1ccc([C@@H](C)N[C@@H](C)CCCCO)o1 ZINC000296407305 386169818 /nfs/dbraw/zinc/16/98/18/386169818.db2.gz KSLPRXWEZIFCLE-NWDGAFQWSA-N 0 3 239.359 3.044 20 0 BGADHN CCc1ccc([C@H](C)N[C@@H](C)CCCCO)o1 ZINC000296407308 171839495 /nfs/dbraw/zinc/83/94/95/171839495.db2.gz KSLPRXWEZIFCLE-RYUDHWBXSA-N 0 3 239.359 3.044 20 0 BGADHN CCc1ccc([C@@H](C)N[C@H](C)CCCCO)o1 ZINC000296407312 386169586 /nfs/dbraw/zinc/16/95/86/386169586.db2.gz KSLPRXWEZIFCLE-VXGBXAGGSA-N 0 3 239.359 3.044 20 0 BGADHN CS[C@H]1CCN([C@@H](C)c2cccc(F)c2)C1 ZINC000296414461 386172337 /nfs/dbraw/zinc/17/23/37/386172337.db2.gz ULFOWOHUFAQAFD-GWCFXTLKSA-N 0 3 239.359 3.324 20 0 BGADHN CS[C@@H]1CCN([C@@H](C)c2cccc(F)c2)C1 ZINC000296414471 386172458 /nfs/dbraw/zinc/17/24/58/386172458.db2.gz ULFOWOHUFAQAFD-GXFFZTMASA-N 0 3 239.359 3.324 20 0 BGADHN CS[C@H]1CCN([C@H](C)c2cccc(F)c2)C1 ZINC000296414479 386172207 /nfs/dbraw/zinc/17/22/07/386172207.db2.gz ULFOWOHUFAQAFD-MFKMUULPSA-N 0 3 239.359 3.324 20 0 BGADHN CS[C@@H]1CCN([C@H](C)c2cccc(F)c2)C1 ZINC000296414487 386172276 /nfs/dbraw/zinc/17/22/76/386172276.db2.gz ULFOWOHUFAQAFD-ZWNOBZJWSA-N 0 3 239.359 3.324 20 0 BGADHN Cc1cc([C@H](C)N[C@H](C)CCCCO)oc1C ZINC000296417604 178255597 /nfs/dbraw/zinc/25/55/97/178255597.db2.gz LFXLLGNIPQVNQF-NEPJUHHUSA-N 0 3 239.359 3.098 20 0 BGADHN Cc1cc([C@@H](C)N[C@@H](C)CCCCO)oc1C ZINC000296417606 178231685 /nfs/dbraw/zinc/23/16/85/178231685.db2.gz LFXLLGNIPQVNQF-NWDGAFQWSA-N 0 3 239.359 3.098 20 0 BGADHN Cc1cc([C@H](C)N[C@@H](C)CCCCO)oc1C ZINC000296417607 178252424 /nfs/dbraw/zinc/25/24/24/178252424.db2.gz LFXLLGNIPQVNQF-RYUDHWBXSA-N 0 3 239.359 3.098 20 0 BGADHN Cc1cc([C@@H](C)N[C@H](C)CCCCO)oc1C ZINC000296417610 178233259 /nfs/dbraw/zinc/23/32/59/178233259.db2.gz LFXLLGNIPQVNQF-VXGBXAGGSA-N 0 3 239.359 3.098 20 0 BGADHN CC/C=C/CN[C@@H](c1cncc(F)c1)C1CC1 ZINC000296435395 398138383 /nfs/dbraw/zinc/13/83/83/398138383.db2.gz MBHZSJUYEZDDEO-RDFMZFSFSA-N 0 3 234.318 3.228 20 0 BGADHN CC/C=C/CN[C@H](c1cncc(F)c1)C1CC1 ZINC000296435397 398138411 /nfs/dbraw/zinc/13/84/11/398138411.db2.gz MBHZSJUYEZDDEO-XGACYXMMSA-N 0 3 234.318 3.228 20 0 BGADHN C/C=C/C[C@@H](CO)N[C@H](C)c1csc(C)c1 ZINC000296440271 188040871 /nfs/dbraw/zinc/04/08/71/188040871.db2.gz MOGWEEACAUDSRM-FVKZJRLBSA-N 0 3 239.384 3.034 20 0 BGADHN C/C=C/C[C@@H](CO)N[C@@H](C)c1csc(C)c1 ZINC000296440275 386173851 /nfs/dbraw/zinc/17/38/51/386173851.db2.gz MOGWEEACAUDSRM-JQBPPHQNSA-N 0 3 239.384 3.034 20 0 BGADHN C/C=C/C[C@H](CO)N[C@@H](C)c1csc(C)c1 ZINC000296440279 188395021 /nfs/dbraw/zinc/39/50/21/188395021.db2.gz MOGWEEACAUDSRM-SOHMCZBRSA-N 0 3 239.384 3.034 20 0 BGADHN C/C=C/C[C@H](CO)N[C@H](C)c1csc(C)c1 ZINC000296440282 386173709 /nfs/dbraw/zinc/17/37/09/386173709.db2.gz MOGWEEACAUDSRM-WPCUQIPDSA-N 0 3 239.384 3.034 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2CCOC2(C)C)c(C)o1 ZINC000296440801 178258111 /nfs/dbraw/zinc/25/81/11/178258111.db2.gz MHHSPJSCNSSYQZ-GWCFXTLKSA-N 0 3 237.343 3.115 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CCOC2(C)C)c(C)o1 ZINC000296440804 178253365 /nfs/dbraw/zinc/25/33/65/178253365.db2.gz MHHSPJSCNSSYQZ-GXFFZTMASA-N 0 3 237.343 3.115 20 0 BGADHN Cc1cc([C@@H](C)N[C@H]2CCOC2(C)C)c(C)o1 ZINC000296440808 178233320 /nfs/dbraw/zinc/23/33/20/178233320.db2.gz MHHSPJSCNSSYQZ-MFKMUULPSA-N 0 3 237.343 3.115 20 0 BGADHN Cc1cc([C@@H](C)N[C@@H]2CCOC2(C)C)c(C)o1 ZINC000296440813 178231805 /nfs/dbraw/zinc/23/18/05/178231805.db2.gz MHHSPJSCNSSYQZ-ZWNOBZJWSA-N 0 3 237.343 3.115 20 0 BGADHN FC1(F)CC(CN2CCc3ccsc3C2)C1 ZINC000296447412 386174143 /nfs/dbraw/zinc/17/41/43/386174143.db2.gz ZZVOMTOCXGAIKR-UHFFFAOYSA-N 0 3 243.322 3.152 20 0 BGADHN CCC1(N[C@H](C)c2ccc(OC)cc2OC)CC1 ZINC000296450514 386175238 /nfs/dbraw/zinc/17/52/38/386175238.db2.gz MRRRJMJOKOWRDM-LLVKDONJSA-N 0 3 249.354 3.297 20 0 BGADHN CCC1(N[C@@H](C)c2ccc(OC)cc2OC)CC1 ZINC000296450517 386175137 /nfs/dbraw/zinc/17/51/37/386175137.db2.gz MRRRJMJOKOWRDM-NSHDSACASA-N 0 3 249.354 3.297 20 0 BGADHN CC/C=C/CN[C@H](C)c1cncc(C)c1 ZINC000296460251 386175225 /nfs/dbraw/zinc/17/52/25/386175225.db2.gz NEWJNRBTYQEHDE-BTDICHCPSA-N 0 3 204.317 3.007 20 0 BGADHN CC/C=C/CN[C@@H](C)c1cncc(C)c1 ZINC000296460253 386174223 /nfs/dbraw/zinc/17/42/23/386174223.db2.gz NEWJNRBTYQEHDE-FYJFLYSWSA-N 0 3 204.317 3.007 20 0 BGADHN CCCCN(C)Cc1cccc(C(C)=O)c1 ZINC000296464342 386177553 /nfs/dbraw/zinc/17/75/53/386177553.db2.gz JNMAUMUPVPKJIX-UHFFFAOYSA-N 0 3 219.328 3.121 20 0 BGADHN FC1(F)CC(CN2CCc3ccccc3C2)C1 ZINC000296464489 180913000 /nfs/dbraw/zinc/91/30/00/180913000.db2.gz JOYWUJVMRBWIRK-UHFFFAOYSA-N 0 3 237.293 3.090 20 0 BGADHN CC/C=C/CN[C@H](C)c1cnccc1C ZINC000296464562 167857000 /nfs/dbraw/zinc/85/70/00/167857000.db2.gz NMQOUBDXZREIEE-BTDICHCPSA-N 0 3 204.317 3.007 20 0 BGADHN CC/C=C/CN[C@@H](C)c1cnccc1C ZINC000296464564 386176230 /nfs/dbraw/zinc/17/62/30/386176230.db2.gz NMQOUBDXZREIEE-FYJFLYSWSA-N 0 3 204.317 3.007 20 0 BGADHN Cc1nccnc1[C@@H](C)NCC(C)(C)C1CCC1 ZINC000296466352 180280067 /nfs/dbraw/zinc/28/00/67/180280067.db2.gz NOMOQUYAWOTMAF-GFCCVEGCSA-N 0 3 247.386 3.262 20 0 BGADHN Cc1nccnc1[C@H](C)NCC(C)(C)C1CCC1 ZINC000296466354 180281759 /nfs/dbraw/zinc/28/17/59/180281759.db2.gz NOMOQUYAWOTMAF-LBPRGKRZSA-N 0 3 247.386 3.262 20 0 BGADHN C[C@H](CC(C)(C)C)NCc1nccn1C(F)F ZINC000296476854 388424046 /nfs/dbraw/zinc/42/40/46/388424046.db2.gz PUCMEQFPGINSJR-SECBINFHSA-N 0 3 245.317 3.193 20 0 BGADHN C[C@@H](CC(C)(C)C)NCc1nccn1C(F)F ZINC000296476858 388424365 /nfs/dbraw/zinc/42/43/65/388424365.db2.gz PUCMEQFPGINSJR-VIFPVBQESA-N 0 3 245.317 3.193 20 0 BGADHN CCC1(N[C@H](C)c2nc3ccccc3n2C)CC1 ZINC000296481884 386176692 /nfs/dbraw/zinc/17/66/92/386176692.db2.gz OHZZEARJLZJCEC-LLVKDONJSA-N 0 3 243.354 3.167 20 0 BGADHN CCC1(N[C@@H](C)c2nc3ccccc3n2C)CC1 ZINC000296481891 386176337 /nfs/dbraw/zinc/17/63/37/386176337.db2.gz OHZZEARJLZJCEC-NSHDSACASA-N 0 3 243.354 3.167 20 0 BGADHN CC(=O)c1ccc(CN(C)C2CCCC2)cc1 ZINC000296491829 386179954 /nfs/dbraw/zinc/17/99/54/386179954.db2.gz LCBSJHVZECXBLZ-UHFFFAOYSA-N 0 3 231.339 3.264 20 0 BGADHN CC(=O)c1ccc(CN(C)[C@H](C)C(C)C)cc1 ZINC000296502105 188041066 /nfs/dbraw/zinc/04/10/66/188041066.db2.gz LQPZZXCZTRPCFH-GFCCVEGCSA-N 0 3 233.355 3.366 20 0 BGADHN CC(=O)c1ccc(CN(C)[C@@H](C)C(C)C)cc1 ZINC000296502113 386179830 /nfs/dbraw/zinc/17/98/30/386179830.db2.gz LQPZZXCZTRPCFH-LBPRGKRZSA-N 0 3 233.355 3.366 20 0 BGADHN Cc1cc([C@@H](C)N[C@@H](C)CC(C)(C)O)c(C)o1 ZINC000296512567 178231870 /nfs/dbraw/zinc/23/18/70/178231870.db2.gz PNWNYWJOLVNJNC-GXSJLCMTSA-N 0 3 239.359 3.097 20 0 BGADHN Cc1cc([C@H](C)N[C@H](C)CC(C)(C)O)c(C)o1 ZINC000296512570 178256594 /nfs/dbraw/zinc/25/65/94/178256594.db2.gz PNWNYWJOLVNJNC-KOLCDFICSA-N 0 3 239.359 3.097 20 0 BGADHN Cc1cc([C@@H](C)N[C@H](C)CC(C)(C)O)c(C)o1 ZINC000296512573 178233142 /nfs/dbraw/zinc/23/31/42/178233142.db2.gz PNWNYWJOLVNJNC-MWLCHTKSSA-N 0 3 239.359 3.097 20 0 BGADHN Cc1cc([C@H](C)N[C@@H](C)CC(C)(C)O)c(C)o1 ZINC000296512574 178251552 /nfs/dbraw/zinc/25/15/52/178251552.db2.gz PNWNYWJOLVNJNC-ONGXEEELSA-N 0 3 239.359 3.097 20 0 BGADHN CCC1(N[C@H](C)c2ccc(Cl)nc2)CC1 ZINC000296528900 386181712 /nfs/dbraw/zinc/18/17/12/386181712.db2.gz QHLZXLIWGLDHTB-SECBINFHSA-N 0 3 224.735 3.328 20 0 BGADHN CCC1(N[C@@H](C)c2ccc(Cl)nc2)CC1 ZINC000296528901 386181789 /nfs/dbraw/zinc/18/17/89/386181789.db2.gz QHLZXLIWGLDHTB-VIFPVBQESA-N 0 3 224.735 3.328 20 0 BGADHN FC1(F)CC(CN2CCc3sccc3C2)C1 ZINC000296530409 386181672 /nfs/dbraw/zinc/18/16/72/386181672.db2.gz NGFVQSQYOSYXCV-UHFFFAOYSA-N 0 3 243.322 3.152 20 0 BGADHN CC/C=C/CN[C@@H]1CCCc2occc21 ZINC000296530637 384189046 /nfs/dbraw/zinc/18/90/46/384189046.db2.gz QIYKZUJJQSJYBO-AAOUONPWSA-N 0 3 205.301 3.213 20 0 BGADHN CC/C=C/CN[C@H]1CCCc2occc21 ZINC000296530641 384188245 /nfs/dbraw/zinc/18/82/45/384188245.db2.gz QIYKZUJJQSJYBO-PCAWENJQSA-N 0 3 205.301 3.213 20 0 BGADHN CC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1 ZINC000296532310 386182580 /nfs/dbraw/zinc/18/25/80/386182580.db2.gz NHKFICGGVJZUBI-GFCCVEGCSA-N 0 3 231.339 3.121 20 0 BGADHN CC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1 ZINC000296532323 188395124 /nfs/dbraw/zinc/39/51/24/188395124.db2.gz NHKFICGGVJZUBI-LBPRGKRZSA-N 0 3 231.339 3.121 20 0 BGADHN CCc1ccc([C@H](C)N[C@H]2CCOC2(C)C)o1 ZINC000296534215 386182465 /nfs/dbraw/zinc/18/24/65/386182465.db2.gz QQSJDUXDORYKEQ-GWCFXTLKSA-N 0 3 237.343 3.060 20 0 BGADHN CCc1ccc([C@H](C)N[C@@H]2CCOC2(C)C)o1 ZINC000296534219 386182938 /nfs/dbraw/zinc/18/29/38/386182938.db2.gz QQSJDUXDORYKEQ-GXFFZTMASA-N 0 3 237.343 3.060 20 0 BGADHN CCc1ccc([C@@H](C)N[C@H]2CCOC2(C)C)o1 ZINC000296534222 386181344 /nfs/dbraw/zinc/18/13/44/386181344.db2.gz QQSJDUXDORYKEQ-MFKMUULPSA-N 0 3 237.343 3.060 20 0 BGADHN CCc1ccc([C@@H](C)N[C@@H]2CCOC2(C)C)o1 ZINC000296534227 386182515 /nfs/dbraw/zinc/18/25/15/386182515.db2.gz QQSJDUXDORYKEQ-ZWNOBZJWSA-N 0 3 237.343 3.060 20 0 BGADHN CC/C=C/CN[C@H](C)c1sccc1OC ZINC000296546420 386182018 /nfs/dbraw/zinc/18/20/18/386182018.db2.gz RGFDCONPNQYJGH-BRAIEQGRSA-N 0 3 225.357 3.374 20 0 BGADHN CC/C=C/CN[C@@H](C)c1sccc1OC ZINC000296546423 386182032 /nfs/dbraw/zinc/18/20/32/386182032.db2.gz RGFDCONPNQYJGH-PORFMDCZSA-N 0 3 225.357 3.374 20 0 BGADHN CC(=O)c1ccc(CN2CCCC[C@H]2C)cc1 ZINC000296563186 386184827 /nfs/dbraw/zinc/18/48/27/386184827.db2.gz PRYDHMBMTWYCKN-GFCCVEGCSA-N 0 3 231.339 3.264 20 0 BGADHN CC(=O)c1ccc(CN2CCCC[C@@H]2C)cc1 ZINC000296563197 386184048 /nfs/dbraw/zinc/18/40/48/386184048.db2.gz PRYDHMBMTWYCKN-LBPRGKRZSA-N 0 3 231.339 3.264 20 0 BGADHN Cc1ccccc1CN(C)CCc1cscn1 ZINC000296586905 179270661 /nfs/dbraw/zinc/27/06/61/179270661.db2.gz ROHNKLWLTQHPKC-UHFFFAOYSA-N 0 3 246.379 3.126 20 0 BGADHN C[C@H](CC(C)(C)C)NCc1nccs1 ZINC000296589318 388425611 /nfs/dbraw/zinc/42/56/11/388425611.db2.gz XLCLDBGHQJSUIR-SECBINFHSA-N 0 3 212.362 3.057 20 0 BGADHN C[C@@H](CC(C)(C)C)NCc1nccs1 ZINC000296589323 388425257 /nfs/dbraw/zinc/42/52/57/388425257.db2.gz XLCLDBGHQJSUIR-VIFPVBQESA-N 0 3 212.362 3.057 20 0 BGADHN c1cn2c(n1)[C@@H](NCCC1=CCCCCC1)CC2 ZINC000296596107 386188087 /nfs/dbraw/zinc/18/80/87/386188087.db2.gz XGCQCPALKSUOGP-AWEZNQCLSA-N 0 3 245.370 3.198 20 0 BGADHN c1cn2c(n1)[C@H](NCCC1=CCCCCC1)CC2 ZINC000296596110 386187091 /nfs/dbraw/zinc/18/70/91/386187091.db2.gz XGCQCPALKSUOGP-CQSZACIVSA-N 0 3 245.370 3.198 20 0 BGADHN CCC1(N[C@H](C)c2cc(OC)ccc2OC)CC1 ZINC000296596334 386187380 /nfs/dbraw/zinc/18/73/80/386187380.db2.gz VHLXTNQTIAHXLE-LLVKDONJSA-N 0 3 249.354 3.297 20 0 BGADHN CCC1(N[C@@H](C)c2cc(OC)ccc2OC)CC1 ZINC000296596337 386187956 /nfs/dbraw/zinc/18/79/56/386187956.db2.gz VHLXTNQTIAHXLE-NSHDSACASA-N 0 3 249.354 3.297 20 0 BGADHN CC/C=C/CN[C@H](C)c1cnn(C(C)C)c1C ZINC000296604024 538025463 /nfs/dbraw/zinc/02/54/63/538025463.db2.gz VVPUSYLJHWVONJ-ABZNLYFFSA-N 0 3 235.375 3.389 20 0 BGADHN CC/C=C/CN[C@@H](C)c1cnn(C(C)C)c1C ZINC000296604025 538025219 /nfs/dbraw/zinc/02/52/19/538025219.db2.gz VVPUSYLJHWVONJ-GUOLPTJISA-N 0 3 235.375 3.389 20 0 BGADHN CCC1(N[C@H](C)c2ccccc2OC)CC1 ZINC000296604068 538025266 /nfs/dbraw/zinc/02/52/66/538025266.db2.gz VVXLLYAJRBNEHP-LLVKDONJSA-N 0 3 219.328 3.288 20 0 BGADHN CCC1(N[C@@H](C)c2ccccc2OC)CC1 ZINC000296604070 538025363 /nfs/dbraw/zinc/02/53/63/538025363.db2.gz VVXLLYAJRBNEHP-NSHDSACASA-N 0 3 219.328 3.288 20 0 BGADHN Cc1csc(CN[C@H](C)CC(C)(C)C)n1 ZINC000296610336 490281190 /nfs/dbraw/zinc/28/11/90/490281190.db2.gz ZDONSLXBXXJZIZ-SECBINFHSA-N 0 3 226.389 3.366 20 0 BGADHN Cc1csc(CN[C@@H](C)CC(C)(C)C)n1 ZINC000296610341 490281251 /nfs/dbraw/zinc/28/12/51/490281251.db2.gz ZDONSLXBXXJZIZ-VIFPVBQESA-N 0 3 226.389 3.366 20 0 BGADHN CC/C=C/CN[C@@H](C)c1sc(C)nc1C ZINC000296611862 398174619 /nfs/dbraw/zinc/17/46/19/398174619.db2.gz WIBAOBNMYCMKDQ-UCUJLANTSA-N 0 3 224.373 3.377 20 0 BGADHN CC/C=C/CN[C@H](C)c1sc(C)nc1C ZINC000296611864 398174609 /nfs/dbraw/zinc/17/46/09/398174609.db2.gz WIBAOBNMYCMKDQ-XCODYQFDSA-N 0 3 224.373 3.377 20 0 BGADHN C[C@@H](NCC(C)(C)c1ccccn1)c1ccco1 ZINC000296615824 386189101 /nfs/dbraw/zinc/18/91/01/386189101.db2.gz WOGBHSLFYYDWIX-GFCCVEGCSA-N 0 3 244.338 3.303 20 0 BGADHN C[C@H](NCC(C)(C)c1ccccn1)c1ccco1 ZINC000296615825 386188894 /nfs/dbraw/zinc/18/88/94/386188894.db2.gz WOGBHSLFYYDWIX-LBPRGKRZSA-N 0 3 244.338 3.303 20 0 BGADHN CC(C)=CCC[C@@H](C)N[C@H](C)c1cnccn1 ZINC000296621116 487790529 /nfs/dbraw/zinc/79/05/29/487790529.db2.gz WVYDJDSSXMROAJ-CHWSQXEVSA-N 0 3 233.359 3.262 20 0 BGADHN CC(C)=CCC[C@@H](C)N[C@@H](C)c1cnccn1 ZINC000296621119 487790566 /nfs/dbraw/zinc/79/05/66/487790566.db2.gz WVYDJDSSXMROAJ-OLZOCXBDSA-N 0 3 233.359 3.262 20 0 BGADHN CC(C)=CCC[C@H](C)N[C@H](C)c1cnccn1 ZINC000296621123 487790598 /nfs/dbraw/zinc/79/05/98/487790598.db2.gz WVYDJDSSXMROAJ-QWHCGFSZSA-N 0 3 233.359 3.262 20 0 BGADHN CC(C)=CCC[C@H](C)N[C@@H](C)c1cnccn1 ZINC000296621124 487790659 /nfs/dbraw/zinc/79/06/59/487790659.db2.gz WVYDJDSSXMROAJ-STQMWFEESA-N 0 3 233.359 3.262 20 0 BGADHN Cc1ccc(CN(C)CC2CC(F)(F)C2)o1 ZINC000296625811 188041042 /nfs/dbraw/zinc/04/10/42/188041042.db2.gz VISCBKULSDEURF-UHFFFAOYSA-N 0 3 229.270 3.065 20 0 BGADHN CC(=O)c1cccc(CN2CCCCCC2)c1 ZINC000296635182 386191377 /nfs/dbraw/zinc/19/13/77/386191377.db2.gz VZBXTNMFZDSYRI-UHFFFAOYSA-N 0 3 231.339 3.265 20 0 BGADHN C[C@@H](NCCC(C)(F)F)c1cccnc1Cl ZINC000296639271 386191400 /nfs/dbraw/zinc/19/14/00/386191400.db2.gz BXKFSEWGCWNKIZ-MRVPVSSYSA-N 0 3 248.704 3.431 20 0 BGADHN C[C@H](NCCC(C)(F)F)c1cccnc1Cl ZINC000296639272 386191060 /nfs/dbraw/zinc/19/10/60/386191060.db2.gz BXKFSEWGCWNKIZ-QMMMGPOBSA-N 0 3 248.704 3.431 20 0 BGADHN CCCCN(C)Cc1ccc(C(C)=O)cc1 ZINC000296639936 386191215 /nfs/dbraw/zinc/19/12/15/386191215.db2.gz WNBFQQQCWNQLQT-UHFFFAOYSA-N 0 3 219.328 3.121 20 0 BGADHN CC(=O)c1cccc(CN2CCCC[C@H]2C)c1 ZINC000296642271 386191116 /nfs/dbraw/zinc/19/11/16/386191116.db2.gz WQRZLWFFFXZKKL-GFCCVEGCSA-N 0 3 231.339 3.264 20 0 BGADHN CC(=O)c1cccc(CN2CCCC[C@@H]2C)c1 ZINC000296642276 386190632 /nfs/dbraw/zinc/19/06/32/386190632.db2.gz WQRZLWFFFXZKKL-LBPRGKRZSA-N 0 3 231.339 3.264 20 0 BGADHN CCC1(N[C@H](C)c2cccnc2Cl)CC1 ZINC000296650263 386191543 /nfs/dbraw/zinc/19/15/43/386191543.db2.gz YUUOBGAHYIFEPT-SECBINFHSA-N 0 3 224.735 3.328 20 0 BGADHN CCC1(N[C@@H](C)c2cccnc2Cl)CC1 ZINC000296650269 386190466 /nfs/dbraw/zinc/19/04/66/386190466.db2.gz YUUOBGAHYIFEPT-VIFPVBQESA-N 0 3 224.735 3.328 20 0 BGADHN CCc1ccc([C@H](C)NC2(CC)CC2)o1 ZINC000296656904 386190840 /nfs/dbraw/zinc/19/08/40/386190840.db2.gz ZJJFQVLTSXJAJW-JTQLQIEISA-N 0 3 207.317 3.435 20 0 BGADHN CCc1ccc([C@@H](C)NC2(CC)CC2)o1 ZINC000296656905 386192249 /nfs/dbraw/zinc/19/22/49/386192249.db2.gz ZJJFQVLTSXJAJW-SNVBAGLBSA-N 0 3 207.317 3.435 20 0 BGADHN CC/C=C/CN[C@@H](CCC)c1cccnc1 ZINC000296659110 386190308 /nfs/dbraw/zinc/19/03/08/386190308.db2.gz ZQFZVMPYCUTJHJ-GJBLVYBDSA-N 0 3 218.344 3.479 20 0 BGADHN CC/C=C/CN[C@H](CCC)c1cccnc1 ZINC000296659112 386190971 /nfs/dbraw/zinc/19/09/71/386190971.db2.gz ZQFZVMPYCUTJHJ-VBROQKIQSA-N 0 3 218.344 3.479 20 0 BGADHN CC(=O)c1cccc(CN(C)[C@H](C)C(C)C)c1 ZINC000296661305 386192706 /nfs/dbraw/zinc/19/27/06/386192706.db2.gz YIXUVZULISKRDI-GFCCVEGCSA-N 0 3 233.355 3.366 20 0 BGADHN CC(=O)c1cccc(CN(C)[C@@H](C)C(C)C)c1 ZINC000296661309 386192679 /nfs/dbraw/zinc/19/26/79/386192679.db2.gz YIXUVZULISKRDI-LBPRGKRZSA-N 0 3 233.355 3.366 20 0 BGADHN Cc1cc([C@@H](C)N[C@H](C)CC(C)(C)O)oc1C ZINC000296661364 178233325 /nfs/dbraw/zinc/23/33/25/178233325.db2.gz ZUQFRGHQKHHZGN-GHMZBOCLSA-N 0 3 239.359 3.097 20 0 BGADHN Cc1cc([C@H](C)N[C@H](C)CC(C)(C)O)oc1C ZINC000296661367 178254915 /nfs/dbraw/zinc/25/49/15/178254915.db2.gz ZUQFRGHQKHHZGN-MNOVXSKESA-N 0 3 239.359 3.097 20 0 BGADHN Cc1cc([C@H](C)N[C@@H](C)CC(C)(C)O)oc1C ZINC000296661370 178252219 /nfs/dbraw/zinc/25/22/19/178252219.db2.gz ZUQFRGHQKHHZGN-QWRGUYRKSA-N 0 3 239.359 3.097 20 0 BGADHN Cc1cc([C@@H](C)N[C@@H](C)CC(C)(C)O)oc1C ZINC000296661372 178231102 /nfs/dbraw/zinc/23/11/02/178231102.db2.gz ZUQFRGHQKHHZGN-WDEREUQCSA-N 0 3 239.359 3.097 20 0 BGADHN CC[C@@H]1CN(Cc2csc(C)c2)CCCO1 ZINC000296663115 171092963 /nfs/dbraw/zinc/09/29/63/171092963.db2.gz FJHWDVCDHMPPIB-CYBMUJFWSA-N 0 3 239.384 3.057 20 0 BGADHN CC[C@H]1CN(Cc2csc(C)c2)CCCO1 ZINC000296663116 592729064 /nfs/dbraw/zinc/72/90/64/592729064.db2.gz FJHWDVCDHMPPIB-ZDUSSCGKSA-N 0 3 239.384 3.057 20 0 BGADHN Cc1cc(CN2CCSC[C@@H](C)C2)cs1 ZINC000296671670 487791599 /nfs/dbraw/zinc/79/15/99/487791599.db2.gz GEBNXLRWUXLATQ-JTQLQIEISA-N 0 3 241.425 3.241 20 0 BGADHN Cc1cc(CN2CCSC[C@H](C)C2)cs1 ZINC000296671671 487791392 /nfs/dbraw/zinc/79/13/92/487791392.db2.gz GEBNXLRWUXLATQ-SNVBAGLBSA-N 0 3 241.425 3.241 20 0 BGADHN CC(=O)c1ccc(CN2CCCCCC2)cc1 ZINC000296674794 398140796 /nfs/dbraw/zinc/14/07/96/398140796.db2.gz ZXCNQJSZDZXIOL-UHFFFAOYSA-N 0 3 231.339 3.265 20 0 BGADHN C[C@H](N[C@H]1CCOC1(C)C)c1ccccc1F ZINC000296686037 384230511 /nfs/dbraw/zinc/23/05/11/384230511.db2.gz LRAPHHBEGFBDET-GWCFXTLKSA-N 0 3 237.318 3.044 20 0 BGADHN C[C@H](N[C@@H]1CCOC1(C)C)c1ccccc1F ZINC000296686046 384230446 /nfs/dbraw/zinc/23/04/46/384230446.db2.gz LRAPHHBEGFBDET-GXFFZTMASA-N 0 3 237.318 3.044 20 0 BGADHN C[C@@H](N[C@H]1CCOC1(C)C)c1ccccc1F ZINC000296686055 384231263 /nfs/dbraw/zinc/23/12/63/384231263.db2.gz LRAPHHBEGFBDET-MFKMUULPSA-N 0 3 237.318 3.044 20 0 BGADHN C[C@@H](N[C@@H]1CCOC1(C)C)c1ccccc1F ZINC000296686064 384230785 /nfs/dbraw/zinc/23/07/85/384230785.db2.gz LRAPHHBEGFBDET-ZWNOBZJWSA-N 0 3 237.318 3.044 20 0 BGADHN CC(=O)c1ccc(CN2C[C@@H]3CCC[C@H]3C2)cc1 ZINC000296695805 386194095 /nfs/dbraw/zinc/19/40/95/386194095.db2.gz DKVQPEJYVIDYNH-HOTGVXAUSA-N 0 3 243.350 3.121 20 0 BGADHN CC(=O)c1ccc(CN2C[C@H]3CCC[C@@H]3C2)cc1 ZINC000296695811 188395463 /nfs/dbraw/zinc/39/54/63/188395463.db2.gz DKVQPEJYVIDYNH-HZPDHXFCSA-N 0 3 243.350 3.121 20 0 BGADHN CC(=O)c1ccc(CN2C[C@@H]3CCC[C@@H]3C2)cc1 ZINC000296695818 188395079 /nfs/dbraw/zinc/39/50/79/188395079.db2.gz DKVQPEJYVIDYNH-IYBDPMFKSA-N 0 3 243.350 3.121 20 0 BGADHN CCC1(N[C@@H](C)c2ccccc2F)CC1 ZINC000296700148 386195556 /nfs/dbraw/zinc/19/55/56/386195556.db2.gz MKOXNKRYQQBQMK-JTQLQIEISA-N 0 3 207.292 3.419 20 0 BGADHN CCC1(N[C@H](C)c2ccccc2F)CC1 ZINC000296700151 386194624 /nfs/dbraw/zinc/19/46/24/386194624.db2.gz MKOXNKRYQQBQMK-SNVBAGLBSA-N 0 3 207.292 3.419 20 0 BGADHN CC[C@@H]1CCN(Cc2ccc(C(C)=O)cc2)C1 ZINC000296707314 171011461 /nfs/dbraw/zinc/01/14/61/171011461.db2.gz FZTXVCXOOOJUPU-CYBMUJFWSA-N 0 3 231.339 3.121 20 0 BGADHN CC[C@H]1CCN(Cc2ccc(C(C)=O)cc2)C1 ZINC000296707321 171631767 /nfs/dbraw/zinc/63/17/67/171631767.db2.gz FZTXVCXOOOJUPU-ZDUSSCGKSA-N 0 3 231.339 3.121 20 0 BGADHN CC(=O)c1cccc(CN2CCC3(CCC3)C2)c1 ZINC000296759835 386200655 /nfs/dbraw/zinc/20/06/55/386200655.db2.gz LKRFJMWSNMNMMR-UHFFFAOYSA-N 0 3 243.350 3.265 20 0 BGADHN Cc1cc(CN2CCS[C@@H](C)CC2)cs1 ZINC000296793459 386203364 /nfs/dbraw/zinc/20/33/64/386203364.db2.gz MFFLFBRGECLZMU-JTQLQIEISA-N 0 3 241.425 3.384 20 0 BGADHN Cc1cc(CN2CCS[C@H](C)CC2)cs1 ZINC000296793470 386202736 /nfs/dbraw/zinc/20/27/36/386202736.db2.gz MFFLFBRGECLZMU-SNVBAGLBSA-N 0 3 241.425 3.384 20 0 BGADHN CC(=O)c1cccc(CN2C[C@@H]3CCC[C@H]3C2)c1 ZINC000296795279 386202125 /nfs/dbraw/zinc/20/21/25/386202125.db2.gz OQFQCUXEZBKYMG-HOTGVXAUSA-N 0 3 243.350 3.121 20 0 BGADHN CC(=O)c1cccc(CN2C[C@H]3CCC[C@@H]3C2)c1 ZINC000296795289 386202571 /nfs/dbraw/zinc/20/25/71/386202571.db2.gz OQFQCUXEZBKYMG-HZPDHXFCSA-N 0 3 243.350 3.121 20 0 BGADHN CC(=O)c1cccc(CN2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000296795299 386203323 /nfs/dbraw/zinc/20/33/23/386203323.db2.gz OQFQCUXEZBKYMG-IYBDPMFKSA-N 0 3 243.350 3.121 20 0 BGADHN CO[C@]1(C)CCCN(Cc2csc(C)c2)C1 ZINC000296816594 188040638 /nfs/dbraw/zinc/04/06/38/188040638.db2.gz NEYMABWVOVAAHO-CYBMUJFWSA-N 0 3 239.384 3.057 20 0 BGADHN CO[C@@]1(C)CCCN(Cc2csc(C)c2)C1 ZINC000296816616 386201752 /nfs/dbraw/zinc/20/17/52/386201752.db2.gz NEYMABWVOVAAHO-ZDUSSCGKSA-N 0 3 239.384 3.057 20 0 BGADHN Cc1cnc(CNCC(C)(C)C(C)C)s1 ZINC000296821248 388426531 /nfs/dbraw/zinc/42/65/31/388426531.db2.gz NIUPTWAYVFZHIA-UHFFFAOYSA-N 0 3 226.389 3.223 20 0 BGADHN CNCc1cccc(NC(=O)[C@@H](C)C(C)(C)C)c1 ZINC000296845525 173389823 /nfs/dbraw/zinc/38/98/23/173389823.db2.gz CGAIEFWITFARIY-LLVKDONJSA-N 0 3 248.370 3.027 20 0 BGADHN CNCc1cccc(NC(=O)[C@H](C)C(C)(C)C)c1 ZINC000296845527 173389820 /nfs/dbraw/zinc/38/98/20/173389820.db2.gz CGAIEFWITFARIY-NSHDSACASA-N 0 3 248.370 3.027 20 0 BGADHN Cc1cc(CN2CCSCC[C@@H]2C)cs1 ZINC000296856276 386207714 /nfs/dbraw/zinc/20/77/14/386207714.db2.gz OXIDZCMVIDRNTH-JTQLQIEISA-N 0 3 241.425 3.384 20 0 BGADHN Cc1cc(CN2CCSCC[C@H]2C)cs1 ZINC000296856281 386207554 /nfs/dbraw/zinc/20/75/54/386207554.db2.gz OXIDZCMVIDRNTH-SNVBAGLBSA-N 0 3 241.425 3.384 20 0 BGADHN CSC1(CNCc2cccc(C)c2F)CC1 ZINC000296874400 398195122 /nfs/dbraw/zinc/19/51/22/398195122.db2.gz PPVCGJABQBUNNY-UHFFFAOYSA-N 0 3 239.359 3.119 20 0 BGADHN CSCCCN(C)Cc1csc(C)c1 ZINC000296877404 386210326 /nfs/dbraw/zinc/21/03/26/386210326.db2.gz PSRAJEOFABDYAD-UHFFFAOYSA-N 0 3 229.414 3.241 20 0 BGADHN CC(=O)c1ccc(CN2CCC3(CCC3)C2)cc1 ZINC000296896774 386210149 /nfs/dbraw/zinc/21/01/49/386210149.db2.gz YQJHUKGVHNEMJF-UHFFFAOYSA-N 0 3 243.350 3.265 20 0 BGADHN CC(C)C(C)(C)CNCc1cc(F)ncc1F ZINC000296909765 386210874 /nfs/dbraw/zinc/21/08/74/386210874.db2.gz RHTCKUWKQYOPTF-UHFFFAOYSA-N 0 3 242.313 3.132 20 0 BGADHN C[C@H](CC(C)(C)O)N[C@H](C)c1ccccc1F ZINC000296932430 384250420 /nfs/dbraw/zinc/25/04/20/384250420.db2.gz XDLQFMVPBOWBFM-GHMZBOCLSA-N 0 3 239.334 3.026 20 0 BGADHN C[C@H](CC(C)(C)O)N[C@@H](C)c1ccccc1F ZINC000296932434 384249068 /nfs/dbraw/zinc/24/90/68/384249068.db2.gz XDLQFMVPBOWBFM-MNOVXSKESA-N 0 3 239.334 3.026 20 0 BGADHN C[C@@H](CC(C)(C)O)N[C@@H](C)c1ccccc1F ZINC000296932439 384249210 /nfs/dbraw/zinc/24/92/10/384249210.db2.gz XDLQFMVPBOWBFM-QWRGUYRKSA-N 0 3 239.334 3.026 20 0 BGADHN C[C@@H](N[C@@H](C)CC(C)(C)O)c1ccccc1F ZINC000296932441 384250534 /nfs/dbraw/zinc/25/05/34/384250534.db2.gz XDLQFMVPBOWBFM-WDEREUQCSA-N 0 3 239.334 3.026 20 0 BGADHN COC[C@H](N[C@@H](C)c1csc(C)c1)C1CC1 ZINC000297028202 388428116 /nfs/dbraw/zinc/42/81/16/388428116.db2.gz UPVHXMCGDCVYLX-GWCFXTLKSA-N 0 3 239.384 3.132 20 0 BGADHN COC[C@@H](N[C@@H](C)c1csc(C)c1)C1CC1 ZINC000297028206 388427553 /nfs/dbraw/zinc/42/75/53/388427553.db2.gz UPVHXMCGDCVYLX-GXFFZTMASA-N 0 3 239.384 3.132 20 0 BGADHN COC[C@H](N[C@H](C)c1csc(C)c1)C1CC1 ZINC000297028211 388428153 /nfs/dbraw/zinc/42/81/53/388428153.db2.gz UPVHXMCGDCVYLX-MFKMUULPSA-N 0 3 239.384 3.132 20 0 BGADHN COC[C@@H](N[C@H](C)c1csc(C)c1)C1CC1 ZINC000297028215 388428112 /nfs/dbraw/zinc/42/81/12/388428112.db2.gz UPVHXMCGDCVYLX-ZWNOBZJWSA-N 0 3 239.384 3.132 20 0 BGADHN CC(=O)c1cccc(CN2CCCC2(C)C)c1 ZINC000297036790 386221439 /nfs/dbraw/zinc/22/14/39/386221439.db2.gz HPIFTFRIRUTRIJ-UHFFFAOYSA-N 0 3 231.339 3.264 20 0 BGADHN CO[C@H]1CCN(Cc2csc(C)c2)[C@@H](C)C1 ZINC000297052981 386223607 /nfs/dbraw/zinc/22/36/07/386223607.db2.gz YSSNMWWQTHAORF-GWCFXTLKSA-N 0 3 239.384 3.056 20 0 BGADHN CO[C@@H]1CCN(Cc2csc(C)c2)[C@@H](C)C1 ZINC000297052983 386222992 /nfs/dbraw/zinc/22/29/92/386222992.db2.gz YSSNMWWQTHAORF-GXFFZTMASA-N 0 3 239.384 3.056 20 0 BGADHN CO[C@H]1CCN(Cc2csc(C)c2)[C@H](C)C1 ZINC000297052985 386222827 /nfs/dbraw/zinc/22/28/27/386222827.db2.gz YSSNMWWQTHAORF-MFKMUULPSA-N 0 3 239.384 3.056 20 0 BGADHN CO[C@@H]1CCN(Cc2csc(C)c2)[C@H](C)C1 ZINC000297052989 386224279 /nfs/dbraw/zinc/22/42/79/386224279.db2.gz YSSNMWWQTHAORF-ZWNOBZJWSA-N 0 3 239.384 3.056 20 0 BGADHN CCOC(C)(C)CNCc1cccc(C)c1F ZINC000297074466 170312568 /nfs/dbraw/zinc/31/25/68/170312568.db2.gz ZSCIBHGQOPTRRQ-UHFFFAOYSA-N 0 3 239.334 3.039 20 0 BGADHN CCCN(Cc1cccc(C(C)=O)c1)C1CC1 ZINC000297089994 169176010 /nfs/dbraw/zinc/17/60/10/169176010.db2.gz KNIMIWQDCLAKHV-UHFFFAOYSA-N 0 3 231.339 3.264 20 0 BGADHN CC(=O)c1cccc(CN(C)CC(C)(C)C)c1 ZINC000297096579 386226158 /nfs/dbraw/zinc/22/61/58/386226158.db2.gz KWYNWGGAOGQJLY-UHFFFAOYSA-N 0 3 233.355 3.367 20 0 BGADHN CC(=O)c1ccc(CN(C)CC(C)(C)C)cc1 ZINC000297104433 352465661 /nfs/dbraw/zinc/46/56/61/352465661.db2.gz LKHOIUAIFONTHO-UHFFFAOYSA-N 0 3 233.355 3.367 20 0 BGADHN CCC[C@@H](CN[C@@H](C)c1cc(C)c(C)o1)OC ZINC000297155489 169385848 /nfs/dbraw/zinc/38/58/48/169385848.db2.gz CNFPIVHEJRXKCT-AAEUAGOBSA-N 0 3 239.359 3.362 20 0 BGADHN CCC[C@H](CN[C@H](C)c1cc(C)c(C)o1)OC ZINC000297155491 386228383 /nfs/dbraw/zinc/22/83/83/386228383.db2.gz CNFPIVHEJRXKCT-DGCLKSJQSA-N 0 3 239.359 3.362 20 0 BGADHN CCC[C@H](CN[C@@H](C)c1cc(C)c(C)o1)OC ZINC000297155492 386228490 /nfs/dbraw/zinc/22/84/90/386228490.db2.gz CNFPIVHEJRXKCT-WCQYABFASA-N 0 3 239.359 3.362 20 0 BGADHN CCC[C@@H](CN[C@H](C)c1cc(C)c(C)o1)OC ZINC000297155493 169385839 /nfs/dbraw/zinc/38/58/39/169385839.db2.gz CNFPIVHEJRXKCT-YPMHNXCESA-N 0 3 239.359 3.362 20 0 BGADHN COc1ccsc1[C@@H](C)NCCC(C)(F)F ZINC000297174934 175380035 /nfs/dbraw/zinc/38/00/35/175380035.db2.gz DPCPIRSOCMVMSZ-MRVPVSSYSA-N 0 3 249.326 3.453 20 0 BGADHN COc1ccsc1[C@H](C)NCCC(C)(F)F ZINC000297174939 175380268 /nfs/dbraw/zinc/38/02/68/175380268.db2.gz DPCPIRSOCMVMSZ-QMMMGPOBSA-N 0 3 249.326 3.453 20 0 BGADHN CC[C@@H](NCC1=CCCOC1)c1ccsc1 ZINC000297179427 388428638 /nfs/dbraw/zinc/42/86/38/388428638.db2.gz DUDQOEUVMBUQCK-CYBMUJFWSA-N 0 3 237.368 3.136 20 0 BGADHN CC[C@H](NCC1=CCCOC1)c1ccsc1 ZINC000297179435 388428625 /nfs/dbraw/zinc/42/86/25/388428625.db2.gz DUDQOEUVMBUQCK-ZDUSSCGKSA-N 0 3 237.368 3.136 20 0 BGADHN CC(=O)c1ccc(CN2CCCC2(C)C)cc1 ZINC000297200285 187352959 /nfs/dbraw/zinc/35/29/59/187352959.db2.gz RHKSYJXRYCNWQB-UHFFFAOYSA-N 0 3 231.339 3.264 20 0 BGADHN CC[C@@H](C)[C@H](C)C(=O)Nc1cccc(CNC)c1 ZINC000297229753 386234962 /nfs/dbraw/zinc/23/49/62/386234962.db2.gz OTLJJUNALPHRMY-NEPJUHHUSA-N 0 3 248.370 3.027 20 0 BGADHN CC[C@H](C)[C@@H](C)C(=O)Nc1cccc(CNC)c1 ZINC000297229759 171361147 /nfs/dbraw/zinc/36/11/47/171361147.db2.gz OTLJJUNALPHRMY-NWDGAFQWSA-N 0 3 248.370 3.027 20 0 BGADHN CC[C@H](C)[C@H](C)C(=O)Nc1cccc(CNC)c1 ZINC000297229762 171385248 /nfs/dbraw/zinc/38/52/48/171385248.db2.gz OTLJJUNALPHRMY-RYUDHWBXSA-N 0 3 248.370 3.027 20 0 BGADHN CC[C@@H](C)[C@@H](C)C(=O)Nc1cccc(CNC)c1 ZINC000297229769 386236322 /nfs/dbraw/zinc/23/63/22/386236322.db2.gz OTLJJUNALPHRMY-VXGBXAGGSA-N 0 3 248.370 3.027 20 0 BGADHN CCC(=O)CCCN(C)Cc1ccc(C)s1 ZINC000297234180 168199379 /nfs/dbraw/zinc/19/93/79/168199379.db2.gz UFHQBKVTQZQBMA-UHFFFAOYSA-N 0 3 239.384 3.248 20 0 BGADHN CN(CCC1CCCCC1)Cc1cccnc1N ZINC000297242030 386235619 /nfs/dbraw/zinc/23/56/19/386235619.db2.gz UTICCNDCIUIIQE-UHFFFAOYSA-N 0 3 247.386 3.066 20 0 BGADHN C[C@@H](NCCCC(C)(F)F)c1nccs1 ZINC000297247111 388428789 /nfs/dbraw/zinc/42/87/89/388428789.db2.gz IZHQUKXPFMYTKS-MRVPVSSYSA-N 0 3 234.315 3.229 20 0 BGADHN C[C@H](NCCCC(C)(F)F)c1nccs1 ZINC000297247113 176842122 /nfs/dbraw/zinc/84/21/22/176842122.db2.gz IZHQUKXPFMYTKS-QMMMGPOBSA-N 0 3 234.315 3.229 20 0 BGADHN Cc1ncc([C@@H](C)NCC2=CCCCC2)c(C)n1 ZINC000297247179 180172901 /nfs/dbraw/zinc/17/29/01/180172901.db2.gz JABWNDVGEVDGDO-LLVKDONJSA-N 0 3 245.370 3.244 20 0 BGADHN Cc1ncc([C@H](C)NCC2=CCCCC2)c(C)n1 ZINC000297247182 180173861 /nfs/dbraw/zinc/17/38/61/180173861.db2.gz JABWNDVGEVDGDO-NSHDSACASA-N 0 3 245.370 3.244 20 0 BGADHN CC(F)(F)CCN[C@@H]1CCc2ccc(F)cc21 ZINC000297250517 487601448 /nfs/dbraw/zinc/60/14/48/487601448.db2.gz JFQCSAGXHHRONM-GFCCVEGCSA-N 0 3 243.272 3.448 20 0 BGADHN CC(F)(F)CCN[C@H]1CCc2ccc(F)cc21 ZINC000297250519 487601636 /nfs/dbraw/zinc/60/16/36/487601636.db2.gz JFQCSAGXHHRONM-LBPRGKRZSA-N 0 3 243.272 3.448 20 0 BGADHN CO[C@H](C)[C@@H](C)N[C@H](C)c1csc(C)c1 ZINC000297255575 386235317 /nfs/dbraw/zinc/23/53/17/386235317.db2.gz JPLAGSCNPSOHFP-GMTAPVOTSA-N 0 3 227.373 3.131 20 0 BGADHN CO[C@@H](C)[C@@H](C)N[C@H](C)c1csc(C)c1 ZINC000297255578 386234443 /nfs/dbraw/zinc/23/44/43/386234443.db2.gz JPLAGSCNPSOHFP-MXWKQRLJSA-N 0 3 227.373 3.131 20 0 BGADHN CO[C@H](C)[C@@H](C)N[C@@H](C)c1csc(C)c1 ZINC000297255581 386235774 /nfs/dbraw/zinc/23/57/74/386235774.db2.gz JPLAGSCNPSOHFP-OUAUKWLOSA-N 0 3 227.373 3.131 20 0 BGADHN CO[C@@H](C)[C@@H](C)N[C@@H](C)c1csc(C)c1 ZINC000297255584 386236483 /nfs/dbraw/zinc/23/64/83/386236483.db2.gz JPLAGSCNPSOHFP-VWYCJHECSA-N 0 3 227.373 3.131 20 0 BGADHN CCCC[C@@H](C)C(=O)Nc1cccc(CNC)c1 ZINC000297260736 352472107 /nfs/dbraw/zinc/47/21/07/352472107.db2.gz ROZZHHHSTGFQMN-GFCCVEGCSA-N 0 3 248.370 3.171 20 0 BGADHN CCCC[C@H](C)C(=O)Nc1cccc(CNC)c1 ZINC000297260737 352472230 /nfs/dbraw/zinc/47/22/30/352472230.db2.gz ROZZHHHSTGFQMN-LBPRGKRZSA-N 0 3 248.370 3.171 20 0 BGADHN C[C@@H](NCCCC(C)(F)F)c1ccco1 ZINC000297283879 384272469 /nfs/dbraw/zinc/27/24/69/384272469.db2.gz LLEIJLRRPZONDR-SECBINFHSA-N 0 3 217.259 3.366 20 0 BGADHN C[C@H](NCCCC(C)(F)F)c1ccco1 ZINC000297283888 384273460 /nfs/dbraw/zinc/27/34/60/384273460.db2.gz LLEIJLRRPZONDR-VIFPVBQESA-N 0 3 217.259 3.366 20 0 BGADHN Cc1cncc([C@H](C)NCCC(C)(F)F)c1 ZINC000297307482 386241481 /nfs/dbraw/zinc/24/14/81/386241481.db2.gz MSQREQQBRWPNTQ-JTQLQIEISA-N 0 3 228.286 3.086 20 0 BGADHN Cc1cncc([C@@H](C)NCCC(C)(F)F)c1 ZINC000297307484 386241303 /nfs/dbraw/zinc/24/13/03/386241303.db2.gz MSQREQQBRWPNTQ-SNVBAGLBSA-N 0 3 228.286 3.086 20 0 BGADHN CCC1(C)CN(Cc2cccc(COC)c2)C1 ZINC000297314615 386241086 /nfs/dbraw/zinc/24/10/86/386241086.db2.gz CNLUMEJCKVPJDO-UHFFFAOYSA-N 0 3 233.355 3.065 20 0 BGADHN CCCN(Cc1ccc(C(C)=O)cc1)C1CC1 ZINC000297319155 169175640 /nfs/dbraw/zinc/17/56/40/169175640.db2.gz ZNPRUVYNNNPZHR-UHFFFAOYSA-N 0 3 231.339 3.264 20 0 BGADHN C[C@@H](NCc1cc(F)cnc1Cl)C(C)(C)C ZINC000297323048 386244977 /nfs/dbraw/zinc/24/49/77/386244977.db2.gz NMVPKYXDEKKWOG-MRVPVSSYSA-N 0 3 244.741 3.398 20 0 BGADHN C[C@H](NCc1cc(F)cnc1Cl)C(C)(C)C ZINC000297323051 386242828 /nfs/dbraw/zinc/24/28/28/386242828.db2.gz NMVPKYXDEKKWOG-QMMMGPOBSA-N 0 3 244.741 3.398 20 0 BGADHN C[C@H](CF)NC1CC(C)(c2ccccc2)C1 ZINC000297332759 386243409 /nfs/dbraw/zinc/24/34/09/386243409.db2.gz DMTCJEDDSLWKER-LMWSTFAQSA-N 0 3 221.319 3.054 20 0 BGADHN C[C@@H](CF)NC1CC(C)(c2ccccc2)C1 ZINC000297332763 386244636 /nfs/dbraw/zinc/24/46/36/386244636.db2.gz DMTCJEDDSLWKER-XGNXJENSSA-N 0 3 221.319 3.054 20 0 BGADHN Cc1cnccc1CN1CC2(C1)CCCCC2 ZINC000297332974 386244026 /nfs/dbraw/zinc/24/40/26/386244026.db2.gz DOOFIMVKOAGUKG-UHFFFAOYSA-N 0 3 230.355 3.156 20 0 BGADHN CC1(C)CC[C@@H]1NCc1cc(F)cnc1Cl ZINC000297340679 352474489 /nfs/dbraw/zinc/47/44/89/352474489.db2.gz OLKZNPRIELXKCL-JTQLQIEISA-N 0 3 242.725 3.152 20 0 BGADHN CC1(C)CC[C@H]1NCc1cc(F)cnc1Cl ZINC000297340681 386242999 /nfs/dbraw/zinc/24/29/99/386242999.db2.gz OLKZNPRIELXKCL-SNVBAGLBSA-N 0 3 242.725 3.152 20 0 BGADHN CCC(=O)CCCN1CCc2ccccc2[C@H]1C ZINC000297344693 168201003 /nfs/dbraw/zinc/20/10/03/168201003.db2.gz BCYHBPQVBKIOGC-CYBMUJFWSA-N 0 3 245.366 3.365 20 0 BGADHN CCC(=O)CCCN1CCc2ccccc2[C@@H]1C ZINC000297344698 168201325 /nfs/dbraw/zinc/20/13/25/168201325.db2.gz BCYHBPQVBKIOGC-ZDUSSCGKSA-N 0 3 245.366 3.365 20 0 BGADHN CC[C@@H](C)CN(C)Cc1ccc(C(C)=O)cc1 ZINC000297364846 386248948 /nfs/dbraw/zinc/24/89/48/386248948.db2.gz CKFGNUYTKSAHEQ-GFCCVEGCSA-N 0 3 233.355 3.367 20 0 BGADHN CC[C@H](C)CN(C)Cc1ccc(C(C)=O)cc1 ZINC000297364849 171274939 /nfs/dbraw/zinc/27/49/39/171274939.db2.gz CKFGNUYTKSAHEQ-LBPRGKRZSA-N 0 3 233.355 3.367 20 0 BGADHN c1cncc(CN2CC(C3CCCCC3)C2)c1 ZINC000297371549 183490651 /nfs/dbraw/zinc/49/06/51/183490651.db2.gz HPKGQTMQSUSVLY-UHFFFAOYSA-N 0 3 230.355 3.094 20 0 BGADHN CCC1(CC)CN(Cc2ccncc2C)C1 ZINC000297373161 386248476 /nfs/dbraw/zinc/24/84/76/386248476.db2.gz HTZIFGTUAORGBS-UHFFFAOYSA-N 0 3 218.344 3.012 20 0 BGADHN COCCC1(C)CN(Cc2ccc(C)c(C)c2)C1 ZINC000297384513 174152934 /nfs/dbraw/zinc/15/29/34/174152934.db2.gz JYAQZANNSNYZDS-UHFFFAOYSA-N 0 3 247.382 3.162 20 0 BGADHN CCC1(C)CN(Cc2ccc(COC)cc2)C1 ZINC000297386268 386251246 /nfs/dbraw/zinc/25/12/46/386251246.db2.gz KCLDXZFTUMDOHM-UHFFFAOYSA-N 0 3 233.355 3.065 20 0 BGADHN COCCC1(C)CN(Cc2ccc(C)cc2C)C1 ZINC000297406947 174152721 /nfs/dbraw/zinc/15/27/21/174152721.db2.gz LWLYHBQLTPQNSZ-UHFFFAOYSA-N 0 3 247.382 3.162 20 0 BGADHN C[C@@H](NCC1=CCCCC1)c1ccc(F)cn1 ZINC000297416583 388429636 /nfs/dbraw/zinc/42/96/36/388429636.db2.gz UKDZGDVKXUXGOH-LLVKDONJSA-N 0 3 234.318 3.372 20 0 BGADHN C[C@H](NCC1=CCCCC1)c1ccc(F)cn1 ZINC000297416589 388429812 /nfs/dbraw/zinc/42/98/12/388429812.db2.gz UKDZGDVKXUXGOH-NSHDSACASA-N 0 3 234.318 3.372 20 0 BGADHN CC[C@@H](NCc1cc(F)cnc1Cl)C1CC1 ZINC000297417624 352476235 /nfs/dbraw/zinc/47/62/35/352476235.db2.gz ULFJGWULTZDPSL-LLVKDONJSA-N 0 3 242.725 3.152 20 0 BGADHN CC[C@H](NCc1cc(F)cnc1Cl)C1CC1 ZINC000297417628 386253612 /nfs/dbraw/zinc/25/36/12/386253612.db2.gz ULFJGWULTZDPSL-NSHDSACASA-N 0 3 242.725 3.152 20 0 BGADHN CCc1ccc(CN2CC(C)(CCOC)C2)cc1 ZINC000297421328 386254731 /nfs/dbraw/zinc/25/47/31/386254731.db2.gz NNWYCZMINQFPQG-UHFFFAOYSA-N 0 3 247.382 3.107 20 0 BGADHN CCN(Cc1cccc(C(C)=O)c1)CC1CC1 ZINC000297444793 352476506 /nfs/dbraw/zinc/47/65/06/352476506.db2.gz IXRYWANYFOWCEV-UHFFFAOYSA-N 0 3 231.339 3.121 20 0 BGADHN COC1(CN[C@H](C)c2cccc(O)c2)CCCC1 ZINC000297445910 174004755 /nfs/dbraw/zinc/00/47/55/174004755.db2.gz WNNQFLNZQPMWDD-GFCCVEGCSA-N 0 3 249.354 3.002 20 0 BGADHN COC1(CN[C@@H](C)c2cccc(O)c2)CCCC1 ZINC000297445912 174003125 /nfs/dbraw/zinc/00/31/25/174003125.db2.gz WNNQFLNZQPMWDD-LBPRGKRZSA-N 0 3 249.354 3.002 20 0 BGADHN COC1(CN[C@@H]2CCCc3occc32)CCCC1 ZINC000297451653 174004064 /nfs/dbraw/zinc/00/40/64/174004064.db2.gz XCCUDBSJFVCQFU-CYBMUJFWSA-N 0 3 249.354 3.206 20 0 BGADHN COC1(CN[C@H]2CCCc3occc32)CCCC1 ZINC000297451660 174004989 /nfs/dbraw/zinc/00/49/89/174004989.db2.gz XCCUDBSJFVCQFU-ZDUSSCGKSA-N 0 3 249.354 3.206 20 0 BGADHN CCC1(C)CN(CCCc2cnccc2C)C1 ZINC000297452100 386257728 /nfs/dbraw/zinc/25/77/28/386257728.db2.gz QRZWLAHEPCJRJK-UHFFFAOYSA-N 0 3 232.371 3.055 20 0 BGADHN Cc1cc([C@@H](C)NCC2=CCCOC2)cs1 ZINC000297457878 178222669 /nfs/dbraw/zinc/22/26/69/178222669.db2.gz XNDSZDDJHMNYLH-LLVKDONJSA-N 0 3 237.368 3.054 20 0 BGADHN Cc1cc([C@H](C)NCC2=CCCOC2)cs1 ZINC000297457882 178247385 /nfs/dbraw/zinc/24/73/85/178247385.db2.gz XNDSZDDJHMNYLH-NSHDSACASA-N 0 3 237.368 3.054 20 0 BGADHN C[C@@H](NCCCC(C)(F)F)c1cscn1 ZINC000297457985 387593472 /nfs/dbraw/zinc/59/34/72/387593472.db2.gz XOIKGUWJHPFZHE-MRVPVSSYSA-N 0 3 234.315 3.229 20 0 BGADHN C[C@H](NCCCC(C)(F)F)c1cscn1 ZINC000297457986 388429949 /nfs/dbraw/zinc/42/99/49/388429949.db2.gz XOIKGUWJHPFZHE-QMMMGPOBSA-N 0 3 234.315 3.229 20 0 BGADHN COCCC1(C)CN(C[C@H](C)c2ccccc2)C1 ZINC000297470257 174152463 /nfs/dbraw/zinc/15/24/63/174152463.db2.gz SJQXFOCPZBAAID-AWEZNQCLSA-N 0 3 247.382 3.149 20 0 BGADHN COCCC1(C)CN(C[C@@H](C)c2ccccc2)C1 ZINC000297470261 174153380 /nfs/dbraw/zinc/15/33/80/174153380.db2.gz SJQXFOCPZBAAID-CQSZACIVSA-N 0 3 247.382 3.149 20 0 BGADHN Cc1ccncc1CN1CC2(C1)CCCCC2 ZINC000297476096 386260032 /nfs/dbraw/zinc/26/00/32/386260032.db2.gz RPIWJCCOJKUILU-UHFFFAOYSA-N 0 3 230.355 3.156 20 0 BGADHN COCCC1(C)CN(Cc2cc(C)ccc2C)C1 ZINC000297479065 174153344 /nfs/dbraw/zinc/15/33/44/174153344.db2.gz TYFUPZJJFQSAON-UHFFFAOYSA-N 0 3 247.382 3.162 20 0 BGADHN C[C@H](NCC1=CCCCC1)c1cncs1 ZINC000297486669 388429229 /nfs/dbraw/zinc/42/92/29/388429229.db2.gz ZRPMAUSEWWMYGD-JTQLQIEISA-N 0 3 222.357 3.294 20 0 BGADHN C[C@@H](NCC1=CCCCC1)c1cncs1 ZINC000297486671 388429444 /nfs/dbraw/zinc/42/94/44/388429444.db2.gz ZRPMAUSEWWMYGD-SNVBAGLBSA-N 0 3 222.357 3.294 20 0 BGADHN COCCC1(C)CN(Cc2cccc(C)c2C)C1 ZINC000297504867 174152412 /nfs/dbraw/zinc/15/24/12/174152412.db2.gz WNCKFDYRKLVGRR-UHFFFAOYSA-N 0 3 247.382 3.162 20 0 BGADHN COCCC1(C)CN(Cc2cc(C)cc(C)c2)C1 ZINC000297506805 174152540 /nfs/dbraw/zinc/15/25/40/174152540.db2.gz WVEGQJOMGUYVKA-UHFFFAOYSA-N 0 3 247.382 3.162 20 0 BGADHN COCCC1(C)CN(Cc2c(C)cccc2C)C1 ZINC000297515166 174152456 /nfs/dbraw/zinc/15/24/56/174152456.db2.gz XOGCFGBSZDBDKC-UHFFFAOYSA-N 0 3 247.382 3.162 20 0 BGADHN CCN(Cc1ccc(C(C)=O)cc1)CC1CC1 ZINC000297532137 352478367 /nfs/dbraw/zinc/47/83/67/352478367.db2.gz PIFPUHSELIACBG-UHFFFAOYSA-N 0 3 231.339 3.121 20 0 BGADHN c1cc(CN2CC(C3CCCCC3)C2)ccn1 ZINC000297543997 183339301 /nfs/dbraw/zinc/33/93/01/183339301.db2.gz YXFOGDXOSFDOTA-UHFFFAOYSA-N 0 3 230.355 3.094 20 0 BGADHN CCC1(CC)CN(Cc2cnccc2C)C1 ZINC000297547730 386264032 /nfs/dbraw/zinc/26/40/32/386264032.db2.gz ZHAHXZYUVRBNON-UHFFFAOYSA-N 0 3 218.344 3.012 20 0 BGADHN Oc1cccc(CN2CC3(C2)CCCCC3)c1 ZINC000297549045 183288194 /nfs/dbraw/zinc/28/81/94/183288194.db2.gz ZIEGVBBEUGKEIJ-UHFFFAOYSA-N 0 3 231.339 3.158 20 0 BGADHN c1ccc(CN2CC(C3CCCCC3)C2)nc1 ZINC000297552245 183397071 /nfs/dbraw/zinc/39/70/71/183397071.db2.gz ZRZQHIFKIXLPRT-UHFFFAOYSA-N 0 3 230.355 3.094 20 0 BGADHN CC[C@@H](C)CN(C)Cc1cccc(C(C)=O)c1 ZINC000297555226 490316907 /nfs/dbraw/zinc/31/69/07/490316907.db2.gz RBYYOTPYWJKPRL-GFCCVEGCSA-N 0 3 233.355 3.367 20 0 BGADHN CC[C@H](C)CN(C)Cc1cccc(C(C)=O)c1 ZINC000297555230 171273606 /nfs/dbraw/zinc/27/36/06/171273606.db2.gz RBYYOTPYWJKPRL-LBPRGKRZSA-N 0 3 233.355 3.367 20 0 BGADHN CC[C@H](C)[C@@H](O)CN[C@@H](C)c1csc(C)c1 ZINC000297573308 136290979 /nfs/dbraw/zinc/29/09/79/136290979.db2.gz GTKVJYUQKGCGKY-GAFUQQFSSA-N 0 3 241.400 3.114 20 0 BGADHN CC[C@H](C)[C@@H](O)CN[C@H](C)c1csc(C)c1 ZINC000297573311 136291193 /nfs/dbraw/zinc/29/11/93/136291193.db2.gz GTKVJYUQKGCGKY-NDMJEZRESA-N 0 3 241.400 3.114 20 0 BGADHN CC[C@H](C)[C@H](O)CN[C@H](C)c1csc(C)c1 ZINC000297573315 536000904 /nfs/dbraw/zinc/00/09/04/536000904.db2.gz GTKVJYUQKGCGKY-UFGOTCBOSA-N 0 3 241.400 3.114 20 0 BGADHN CC[C@H](C)[C@H](O)CN[C@@H](C)c1csc(C)c1 ZINC000297573317 136291111 /nfs/dbraw/zinc/29/11/11/136291111.db2.gz GTKVJYUQKGCGKY-XHVZSJERSA-N 0 3 241.400 3.114 20 0 BGADHN CC[C@@H](N[C@@H]1C[C@H]2CC[C@@H]1O2)c1ccsc1 ZINC000297583779 487603415 /nfs/dbraw/zinc/60/34/15/487603415.db2.gz HGZGZDLAOSVGMN-LPWJVIDDSA-N 0 3 237.368 3.109 20 0 BGADHN CC[C@H](N[C@@H]1C[C@H]2CC[C@@H]1O2)c1ccsc1 ZINC000297583782 487603603 /nfs/dbraw/zinc/60/36/03/487603603.db2.gz HGZGZDLAOSVGMN-XQHKEYJVSA-N 0 3 237.368 3.109 20 0 BGADHN Cc1cc(NC2CCN(C3CC3)CC2)ccc1F ZINC000297615673 178154314 /nfs/dbraw/zinc/15/43/14/178154314.db2.gz GXDDZZACIWUYTK-UHFFFAOYSA-N 0 3 248.345 3.173 20 0 BGADHN Cc1c(F)cccc1NC1CCN(C2CC2)CC1 ZINC000297669624 388431017 /nfs/dbraw/zinc/43/10/17/388431017.db2.gz KCACAMZKVGJYCO-UHFFFAOYSA-N 0 3 248.345 3.173 20 0 BGADHN Cc1cc([C@@H](C)N[C@@H]2C[C@H]3CC[C@@H]2O3)cs1 ZINC000297671433 487670361 /nfs/dbraw/zinc/67/03/61/487670361.db2.gz LBUDQRMQBBEOIU-JHEVNIALSA-N 0 3 237.368 3.027 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2C[C@H]3CC[C@@H]2O3)cs1 ZINC000297671434 487603467 /nfs/dbraw/zinc/60/34/67/487603467.db2.gz LBUDQRMQBBEOIU-SQNXGDPESA-N 0 3 237.368 3.027 20 0 BGADHN CCc1ccccc1NC1CCN(C2CC2)CC1 ZINC000297742159 388431426 /nfs/dbraw/zinc/43/14/26/388431426.db2.gz KLQZBJPMCGDEEI-UHFFFAOYSA-N 0 3 244.382 3.288 20 0 BGADHN CCc1ccc(NC2CCN(C3CC3)CC2)cc1 ZINC000297748300 388431938 /nfs/dbraw/zinc/43/19/38/388431938.db2.gz KXENNYPCVREFEQ-UHFFFAOYSA-N 0 3 244.382 3.288 20 0 BGADHN Cc1ccc(F)cc1NC1CCN(C2CC2)CC1 ZINC000297748318 398212502 /nfs/dbraw/zinc/21/25/02/398212502.db2.gz KXTWUHGRTLIIGJ-UHFFFAOYSA-N 0 3 248.345 3.173 20 0 BGADHN CCc1cccc(NC2CCN(C3CC3)CC2)c1 ZINC000297766769 388431712 /nfs/dbraw/zinc/43/17/12/388431712.db2.gz LWPCOSQKPBMRGB-UHFFFAOYSA-N 0 3 244.382 3.288 20 0 BGADHN CC[C@@H](NCc1ccn(C)c1)c1ccsc1 ZINC000297820875 352486164 /nfs/dbraw/zinc/48/61/64/352486164.db2.gz RKWMEYDSSXOUIK-CYBMUJFWSA-N 0 3 234.368 3.328 20 0 BGADHN CC[C@H](NCc1ccn(C)c1)c1ccsc1 ZINC000297820877 386282161 /nfs/dbraw/zinc/28/21/61/386282161.db2.gz RKWMEYDSSXOUIK-ZDUSSCGKSA-N 0 3 234.368 3.328 20 0 BGADHN Cc1cc(F)ccc1NC1CCN(C2CC2)CC1 ZINC000297835015 178089664 /nfs/dbraw/zinc/08/96/64/178089664.db2.gz NPERTDAEROPNLI-UHFFFAOYSA-N 0 3 248.345 3.173 20 0 BGADHN Cc1cc(F)cc(NC2CCN(C3CC3)CC2)c1 ZINC000297880104 178078662 /nfs/dbraw/zinc/07/86/62/178078662.db2.gz QHKLSVAUAGFSDZ-UHFFFAOYSA-N 0 3 248.345 3.173 20 0 BGADHN Cc1ccccc1NC1CCN(C2CC2)CC1 ZINC000297901298 179304625 /nfs/dbraw/zinc/30/46/25/179304625.db2.gz RRLGQVPXFSZUBR-UHFFFAOYSA-N 0 3 230.355 3.034 20 0 BGADHN Cc1cccc(NC2CCN(C3CC3)CC2)c1C ZINC000297915689 188109984 /nfs/dbraw/zinc/10/99/84/188109984.db2.gz SQCCPXJDVDTEGB-UHFFFAOYSA-N 0 3 244.382 3.342 20 0 BGADHN Cc1ccc(F)c(NC2CCN(C3CC3)CC2)c1 ZINC000297956767 388432540 /nfs/dbraw/zinc/43/25/40/388432540.db2.gz WFMBIIZDJAKHNZ-UHFFFAOYSA-N 0 3 248.345 3.173 20 0 BGADHN Cc1ccc(C)c(NC2CCN(C3CC3)CC2)c1 ZINC000297972827 398225665 /nfs/dbraw/zinc/22/56/65/398225665.db2.gz XLIHIJJGUKWBJQ-UHFFFAOYSA-N 0 3 244.382 3.342 20 0 BGADHN Fc1ccc([C@@H]2CCCN2C[C@H]2CCCO2)cc1 ZINC000298085047 386297302 /nfs/dbraw/zinc/29/73/02/386297302.db2.gz LVQFYERGEKADJD-CABCVRRESA-N 0 3 249.329 3.142 20 0 BGADHN CSCCN1CCC[C@@H]1c1ccc(F)cc1 ZINC000298094928 386297512 /nfs/dbraw/zinc/29/75/12/386297512.db2.gz QXRPWOJDZYWGRQ-CYBMUJFWSA-N 0 3 239.359 3.326 20 0 BGADHN CSCCN1CCC[C@H]1c1ccc(F)cc1 ZINC000298094930 386298806 /nfs/dbraw/zinc/29/88/06/386298806.db2.gz QXRPWOJDZYWGRQ-ZDUSSCGKSA-N 0 3 239.359 3.326 20 0 BGADHN CCOC1(C)CCN([C@H](C)c2cccnc2)CC1 ZINC000298198187 170319419 /nfs/dbraw/zinc/31/94/19/170319419.db2.gz CDAWDYPAVBWRGP-CYBMUJFWSA-N 0 3 248.370 3.034 20 0 BGADHN CCOC1(C)CCN([C@@H](C)c2cccnc2)CC1 ZINC000298198190 170319008 /nfs/dbraw/zinc/31/90/08/170319008.db2.gz CDAWDYPAVBWRGP-ZDUSSCGKSA-N 0 3 248.370 3.034 20 0 BGADHN CCOC1(C)CCN([C@H](C)c2ccccn2)CC1 ZINC000298224936 170319454 /nfs/dbraw/zinc/31/94/54/170319454.db2.gz GNZACJCGNCFTDD-CYBMUJFWSA-N 0 3 248.370 3.034 20 0 BGADHN CCOC1(C)CCN([C@@H](C)c2ccccn2)CC1 ZINC000298224938 170319079 /nfs/dbraw/zinc/31/90/79/170319079.db2.gz GNZACJCGNCFTDD-ZDUSSCGKSA-N 0 3 248.370 3.034 20 0 BGADHN Cc1cccc(NC2CCN(C3CC3)CC2)c1F ZINC000298239604 187257674 /nfs/dbraw/zinc/25/76/74/187257674.db2.gz CDQPKGKDYRAFTG-UHFFFAOYSA-N 0 3 248.345 3.173 20 0 BGADHN C[C@]12CCN(Cc3ccccc3)C[C@H]1C2(F)F ZINC000298242878 386312343 /nfs/dbraw/zinc/31/23/43/386312343.db2.gz JFWOQIPLDPSZKQ-OLZOCXBDSA-N 0 3 237.293 3.164 20 0 BGADHN C[C@@]12CCN(Cc3ccccc3)C[C@@H]1C2(F)F ZINC000298242882 386311306 /nfs/dbraw/zinc/31/13/06/386311306.db2.gz JFWOQIPLDPSZKQ-QWHCGFSZSA-N 0 3 237.293 3.164 20 0 BGADHN C[C@]12CCN(Cc3cccs3)C[C@H]1C2(F)F ZINC000298271683 386317293 /nfs/dbraw/zinc/31/72/93/386317293.db2.gz NUKXXDLUFUNNIE-MNOVXSKESA-N 0 3 243.322 3.225 20 0 BGADHN C[C@@]12CCN(Cc3cccs3)C[C@@H]1C2(F)F ZINC000298271688 386317400 /nfs/dbraw/zinc/31/74/00/386317400.db2.gz NUKXXDLUFUNNIE-WDEREUQCSA-N 0 3 243.322 3.225 20 0 BGADHN CCOC1(C)CCN(Cc2cccs2)CC1 ZINC000298319437 170319108 /nfs/dbraw/zinc/31/91/08/170319108.db2.gz QSIVHLCXUWPBAY-UHFFFAOYSA-N 0 3 239.384 3.139 20 0 BGADHN CCC(=O)CCN(C)Cc1cccc(C)c1C ZINC000298329449 168199968 /nfs/dbraw/zinc/19/99/68/168199968.db2.gz RIJLFWWVWGYMNQ-UHFFFAOYSA-N 0 3 233.355 3.104 20 0 BGADHN CC(C)[C@@H](C)N(C)Cc1cc(-c2ccco2)on1 ZINC000298451428 167367348 /nfs/dbraw/zinc/36/73/48/167367348.db2.gz VJEHKUMHTNNUJW-LLVKDONJSA-N 0 3 248.326 3.411 20 0 BGADHN CC(C)[C@H](C)N(C)Cc1cc(-c2ccco2)on1 ZINC000298451431 386346571 /nfs/dbraw/zinc/34/65/71/386346571.db2.gz VJEHKUMHTNNUJW-NSHDSACASA-N 0 3 248.326 3.411 20 0 BGADHN CCN(Cc1cccnc1)Cc1ccccc1C ZINC000298494440 352506314 /nfs/dbraw/zinc/50/63/14/352506314.db2.gz YJKOWYMQNBCZJK-UHFFFAOYSA-N 0 3 240.350 3.412 20 0 BGADHN c1cc([C@H]2CCCN2C[C@H]2CCCO2)cs1 ZINC000298516458 183363914 /nfs/dbraw/zinc/36/39/14/183363914.db2.gz ZQLNKPSGQGQOOL-CHWSQXEVSA-N 0 3 237.368 3.064 20 0 BGADHN c1cc([C@@H]2CCCN2C[C@H]2CCCO2)cs1 ZINC000298516461 183361327 /nfs/dbraw/zinc/36/13/27/183361327.db2.gz ZQLNKPSGQGQOOL-OLZOCXBDSA-N 0 3 237.368 3.064 20 0 BGADHN CCOCCN(C)[C@@H](C)c1ccc(C)cc1 ZINC000298569140 170392194 /nfs/dbraw/zinc/39/21/94/170392194.db2.gz BKBKKVJTNFYDNK-ZDUSSCGKSA-N 0 3 221.344 3.024 20 0 BGADHN Cc1ccc([C@H](C)N(C)C[C@H]2CCCO2)cc1 ZINC000298571569 386361652 /nfs/dbraw/zinc/36/16/52/386361652.db2.gz DJTGIKIDAQZBNS-DZGCQCFKSA-N 0 3 233.355 3.167 20 0 BGADHN Cc1ccc([C@@H](C)N(C)C[C@H]2CCCO2)cc1 ZINC000298571572 386361663 /nfs/dbraw/zinc/36/16/63/386361663.db2.gz DJTGIKIDAQZBNS-UKRRQHHQSA-N 0 3 233.355 3.167 20 0 BGADHN C[C@H]1CCC[C@H]1NCc1cc(-c2ccco2)on1 ZINC000298629560 177142384 /nfs/dbraw/zinc/14/23/84/177142384.db2.gz VSJZZEGLMXEVRC-CMPLNLGQSA-N 0 3 246.310 3.213 20 0 BGADHN C[C@H]1CCC[C@@H]1NCc1cc(-c2ccco2)on1 ZINC000298629562 177126755 /nfs/dbraw/zinc/12/67/55/177126755.db2.gz VSJZZEGLMXEVRC-JQWIXIFHSA-N 0 3 246.310 3.213 20 0 BGADHN C[C@@H]1CCC[C@@H]1NCc1cc(-c2ccco2)on1 ZINC000298629563 176131871 /nfs/dbraw/zinc/13/18/71/176131871.db2.gz VSJZZEGLMXEVRC-PWSUYJOCSA-N 0 3 246.310 3.213 20 0 BGADHN C[C@@H]1CCC[C@H]1NCc1cc(-c2ccco2)on1 ZINC000298629565 176150519 /nfs/dbraw/zinc/15/05/19/176150519.db2.gz VSJZZEGLMXEVRC-ZYHUDNBSSA-N 0 3 246.310 3.213 20 0 BGADHN CCC(C)(C)N[C@H](C)C(=O)Nc1cccc(C)c1 ZINC000298692512 168302412 /nfs/dbraw/zinc/30/24/12/168302412.db2.gz UDSCNPILXMCUPK-GFCCVEGCSA-N 0 3 248.370 3.100 20 0 BGADHN CCC(C)(C)N[C@@H](C)C(=O)Nc1cccc(C)c1 ZINC000298692517 168300589 /nfs/dbraw/zinc/30/05/89/168300589.db2.gz UDSCNPILXMCUPK-LBPRGKRZSA-N 0 3 248.370 3.100 20 0 BGADHN CCC(C)(C)N[C@H](C)C(=O)Nc1ccccc1C ZINC000298699365 168303176 /nfs/dbraw/zinc/30/31/76/168303176.db2.gz XMOLQCNUZGEXML-GFCCVEGCSA-N 0 3 248.370 3.100 20 0 BGADHN CCC(C)(C)N[C@@H](C)C(=O)Nc1ccccc1C ZINC000298699368 168300063 /nfs/dbraw/zinc/30/00/63/168300063.db2.gz XMOLQCNUZGEXML-LBPRGKRZSA-N 0 3 248.370 3.100 20 0 BGADHN CCCCN(Cc1cn2ccccc2n1)C1CC1 ZINC000298725253 386376670 /nfs/dbraw/zinc/37/66/70/386376670.db2.gz QJTOFFUANOYPGY-UHFFFAOYSA-N 0 3 243.354 3.099 20 0 BGADHN CN(CCCc1ccccc1)Cc1ccccn1 ZINC000298730655 386378854 /nfs/dbraw/zinc/37/88/54/386378854.db2.gz GVBKLQYOWVJPOT-UHFFFAOYSA-N 0 3 240.350 3.146 20 0 BGADHN Cn1cccc1CN1CCC[C@H]1c1ccsc1 ZINC000298745310 386378911 /nfs/dbraw/zinc/37/89/11/386378911.db2.gz KUXKYAPVXVNACK-AWEZNQCLSA-N 0 3 246.379 3.424 20 0 BGADHN Cn1cccc1CN1CCC[C@@H]1c1ccsc1 ZINC000298745322 386379860 /nfs/dbraw/zinc/37/98/60/386379860.db2.gz KUXKYAPVXVNACK-CQSZACIVSA-N 0 3 246.379 3.424 20 0 BGADHN Fc1cccc([C@@H]2CCCN2C[C@H]2CCCO2)c1 ZINC000298746291 386378710 /nfs/dbraw/zinc/37/87/10/386378710.db2.gz RVKVQOGMDJQBEF-CABCVRRESA-N 0 3 249.329 3.142 20 0 BGADHN Fc1cccc([C@H]2CCCN2C[C@H]2CCCO2)c1 ZINC000298746296 181003990 /nfs/dbraw/zinc/00/39/90/181003990.db2.gz RVKVQOGMDJQBEF-HUUCEWRRSA-N 0 3 249.329 3.142 20 0 BGADHN CCOCCN(Cc1ccco1)C1CCCC1 ZINC000298757679 188214722 /nfs/dbraw/zinc/21/47/22/188214722.db2.gz YZIANMGKVRHCSU-UHFFFAOYSA-N 0 3 237.343 3.061 20 0 BGADHN CCN(C)Cc1cc(Cl)cc2cccnc21 ZINC000298758232 386380957 /nfs/dbraw/zinc/38/09/57/386380957.db2.gz BLRFOZKBHYSHFU-UHFFFAOYSA-N 0 3 234.730 3.340 20 0 BGADHN CCC1CCN([C@H](C)c2cccnc2)CC1 ZINC000298937401 386400455 /nfs/dbraw/zinc/40/04/55/386400455.db2.gz CHTMEQWOTOLZSC-GFCCVEGCSA-N 0 3 218.344 3.265 20 0 BGADHN CCC1CCN([C@@H](C)c2cccnc2)CC1 ZINC000298937405 386400508 /nfs/dbraw/zinc/40/05/08/386400508.db2.gz CHTMEQWOTOLZSC-LBPRGKRZSA-N 0 3 218.344 3.265 20 0 BGADHN C[C@H](c1cccnc1)N(C)Cc1ccccc1 ZINC000299019589 177044474 /nfs/dbraw/zinc/04/44/74/177044474.db2.gz PCRGUSZNMNCKCB-CYBMUJFWSA-N 0 3 226.323 3.275 20 0 BGADHN C[C@@H](c1cccnc1)N(C)Cc1ccccc1 ZINC000299019592 176029397 /nfs/dbraw/zinc/02/93/97/176029397.db2.gz PCRGUSZNMNCKCB-ZDUSSCGKSA-N 0 3 226.323 3.275 20 0 BGADHN COCCN[C@H](c1ccc(F)cc1)C(C)(C)C ZINC000299091749 174340203 /nfs/dbraw/zinc/34/02/03/174340203.db2.gz WIFHTCUGFNIXSF-CYBMUJFWSA-N 0 3 239.334 3.149 20 0 BGADHN COCCN[C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000299091752 174337987 /nfs/dbraw/zinc/33/79/87/174337987.db2.gz WIFHTCUGFNIXSF-ZDUSSCGKSA-N 0 3 239.334 3.149 20 0 BGADHN CCCCN(CC)Cc1cnc(C)s1 ZINC000299110393 386414462 /nfs/dbraw/zinc/41/44/62/386414462.db2.gz ASDTUIRHKPTHIA-UHFFFAOYSA-N 0 3 212.362 3.074 20 0 BGADHN CN(CCc1ccccc1)CCC(F)(F)F ZINC000299114571 386415078 /nfs/dbraw/zinc/41/50/78/386415078.db2.gz CUHMYNOIZJPFPU-UHFFFAOYSA-N 0 3 231.261 3.113 20 0 BGADHN CCC1CCN(Cc2cnc(C)s2)CC1 ZINC000299124396 386417790 /nfs/dbraw/zinc/41/77/90/386417790.db2.gz IEEYHXUCROQIPW-UHFFFAOYSA-N 0 3 224.373 3.074 20 0 BGADHN Cc1ncc(CN2CCCCCCC2)s1 ZINC000299151344 180142002 /nfs/dbraw/zinc/14/20/02/180142002.db2.gz YVRKUFYESBVHDJ-UHFFFAOYSA-N 0 3 224.373 3.218 20 0 BGADHN CCCCN(Cc1cnc(C)s1)C1CC1 ZINC000299153066 386420064 /nfs/dbraw/zinc/42/00/64/386420064.db2.gz ZZBDXTINWJLNPI-UHFFFAOYSA-N 0 3 224.373 3.216 20 0 BGADHN CC(C)OCCN(Cc1cccs1)C(C)C ZINC000299158234 167228109 /nfs/dbraw/zinc/22/81/09/167228109.db2.gz JJHNGHFGVXGNLV-UHFFFAOYSA-N 0 3 241.400 3.384 20 0 BGADHN CC[C@@H](C)[C@@H](C)NCc1cc(-c2ccco2)on1 ZINC000299166712 386422168 /nfs/dbraw/zinc/42/21/68/386422168.db2.gz XUCQHEXEJYIJHZ-GHMZBOCLSA-N 0 3 248.326 3.459 20 0 BGADHN CC[C@@H](C)[C@H](C)NCc1cc(-c2ccco2)on1 ZINC000299166720 386423172 /nfs/dbraw/zinc/42/31/72/386423172.db2.gz XUCQHEXEJYIJHZ-MNOVXSKESA-N 0 3 248.326 3.459 20 0 BGADHN CC[C@H](C)[C@H](C)NCc1cc(-c2ccco2)on1 ZINC000299166726 171389851 /nfs/dbraw/zinc/38/98/51/171389851.db2.gz XUCQHEXEJYIJHZ-QWRGUYRKSA-N 0 3 248.326 3.459 20 0 BGADHN CC[C@H](C)[C@@H](C)NCc1cc(-c2ccco2)on1 ZINC000299166734 171365816 /nfs/dbraw/zinc/36/58/16/171365816.db2.gz XUCQHEXEJYIJHZ-WDEREUQCSA-N 0 3 248.326 3.459 20 0 BGADHN CSCCN(Cc1cccs1)C(C)C ZINC000299198513 386426048 /nfs/dbraw/zinc/42/60/48/386426048.db2.gz LRILOWKALKJEPI-UHFFFAOYSA-N 0 3 229.414 3.322 20 0 BGADHN CCCN(Cc1cnc(C)s1)CC1CC1 ZINC000299200900 169180012 /nfs/dbraw/zinc/18/00/12/169180012.db2.gz NJDSJONQAVMXFM-UHFFFAOYSA-N 0 3 224.373 3.074 20 0 BGADHN CCCc1ccc(CN2CCC(OC)CC2)cc1 ZINC000299253268 386432087 /nfs/dbraw/zinc/43/20/87/386432087.db2.gz ZWMWZOIXWZDXGO-UHFFFAOYSA-N 0 3 247.382 3.250 20 0 BGADHN CC(C)N(CCc1ccccn1)Cc1ccco1 ZINC000299327093 187353562 /nfs/dbraw/zinc/35/35/62/187353562.db2.gz BIKIELXBYZSNLU-UHFFFAOYSA-N 0 3 244.338 3.128 20 0 BGADHN CCN(CCc1cccs1)Cc1ccco1 ZINC000299344432 386442834 /nfs/dbraw/zinc/44/28/34/386442834.db2.gz AVPJDILMVRNTPL-UHFFFAOYSA-N 0 3 235.352 3.406 20 0 BGADHN CN(Cc1nc2ccccc2o1)CC1CCCC1 ZINC000299355651 386442712 /nfs/dbraw/zinc/44/27/12/386442712.db2.gz DVZUGQBYQROMLW-UHFFFAOYSA-N 0 3 244.338 3.450 20 0 BGADHN CC(C)N(Cc1ccco1)C[C@H]1CCCCO1 ZINC000299368986 386445392 /nfs/dbraw/zinc/44/53/92/386445392.db2.gz KNFXBHHXHOQHLB-CYBMUJFWSA-N 0 3 237.343 3.059 20 0 BGADHN CC(C)N(Cc1ccco1)C[C@@H]1CCCCO1 ZINC000299368987 386446390 /nfs/dbraw/zinc/44/63/90/386446390.db2.gz KNFXBHHXHOQHLB-ZDUSSCGKSA-N 0 3 237.343 3.059 20 0 BGADHN CCCN(CC)Cc1nc2ccccc2nc1C ZINC000299374246 169131783 /nfs/dbraw/zinc/13/17/83/169131783.db2.gz HCOZJALCBHGECZ-UHFFFAOYSA-N 0 3 243.354 3.170 20 0 BGADHN CCCN(CCc1ccccn1)Cc1ccco1 ZINC000299388911 169170117 /nfs/dbraw/zinc/17/01/17/169170117.db2.gz QQJSNAGNBSMELC-UHFFFAOYSA-N 0 3 244.338 3.129 20 0 BGADHN CC(C)N(CCOC(C)(C)C)Cc1ccco1 ZINC000299395527 386449063 /nfs/dbraw/zinc/44/90/63/386449063.db2.gz TXABRASVQICXIF-UHFFFAOYSA-N 0 3 239.359 3.305 20 0 BGADHN CCN(CCCO)[C@H](C)c1ccccc1Cl ZINC000299402704 386450479 /nfs/dbraw/zinc/45/04/79/386450479.db2.gz MQBVLSMWVHAELU-LLVKDONJSA-N 0 3 241.762 3.105 20 0 BGADHN CCN(CCCO)[C@@H](C)c1ccccc1Cl ZINC000299402707 386449313 /nfs/dbraw/zinc/44/93/13/386449313.db2.gz MQBVLSMWVHAELU-NSHDSACASA-N 0 3 241.762 3.105 20 0 BGADHN CCN(C/C=C/Cl)CCc1cccs1 ZINC000299459102 386456587 /nfs/dbraw/zinc/45/65/87/386456587.db2.gz YQAKPUBPNUFKAX-QPJJXVBHSA-N 0 3 229.776 3.365 20 0 BGADHN Cc1ncc(CNC(C)(C)c2ccccc2)s1 ZINC000299469558 180149815 /nfs/dbraw/zinc/14/98/15/180149815.db2.gz OGADQBMILZALNE-UHFFFAOYSA-N 0 3 246.379 3.476 20 0 BGADHN C[C@@H](c1ccncc1)N(C)C[C@H]1CCC(C)(C)O1 ZINC000299526748 176036380 /nfs/dbraw/zinc/03/63/80/176036380.db2.gz DHRKZADVDYPNNK-GXTWGEPZSA-N 0 3 248.370 3.032 20 0 BGADHN C[C@@H](c1ccncc1)N(C)C[C@@H]1CCC(C)(C)O1 ZINC000299526751 176033865 /nfs/dbraw/zinc/03/38/65/176033865.db2.gz DHRKZADVDYPNNK-JSGCOSHPSA-N 0 3 248.370 3.032 20 0 BGADHN C[C@H](c1ccncc1)N(C)C[C@@H]1CCC(C)(C)O1 ZINC000299526754 177050509 /nfs/dbraw/zinc/05/05/09/177050509.db2.gz DHRKZADVDYPNNK-OCCSQVGLSA-N 0 3 248.370 3.032 20 0 BGADHN C[C@H](c1ccncc1)N(C)C[C@H]1CCC(C)(C)O1 ZINC000299526757 177050018 /nfs/dbraw/zinc/05/00/18/177050018.db2.gz DHRKZADVDYPNNK-TZMCWYRMSA-N 0 3 248.370 3.032 20 0 BGADHN COc1cc(C)nc(CN(C(C)C)C(C)C)c1 ZINC000299550079 386465118 /nfs/dbraw/zinc/46/51/18/386465118.db2.gz FZTZNHIPTMDZSQ-UHFFFAOYSA-N 0 3 236.359 3.017 20 0 BGADHN CN(CCc1cccs1)CCC(F)(F)F ZINC000299592929 386469402 /nfs/dbraw/zinc/46/94/02/386469402.db2.gz YJQXYYDOAAHSFS-UHFFFAOYSA-N 0 3 237.290 3.175 20 0 BGADHN CN(CCc1cccs1)Cc1ccsc1 ZINC000299620118 386472269 /nfs/dbraw/zinc/47/22/69/386472269.db2.gz UKQUBOFVKANFNJ-UHFFFAOYSA-N 0 3 237.393 3.484 20 0 BGADHN CC(C)(NCc1cccc(O)c1)c1ccccc1 ZINC000299673439 188268961 /nfs/dbraw/zinc/26/89/61/188268961.db2.gz ZIZXCEACUSTENR-UHFFFAOYSA-N 0 3 241.334 3.417 20 0 BGADHN CN(Cc1ccccn1)[C@H]1CCc2ccccc21 ZINC000299676211 398151665 /nfs/dbraw/zinc/15/16/65/398151665.db2.gz UBYHLVPCJRQTOR-INIZCTEOSA-N 0 3 238.334 3.201 20 0 BGADHN CN(Cc1ccccn1)[C@@H]1CCc2ccccc21 ZINC000299676213 398151485 /nfs/dbraw/zinc/15/14/85/398151485.db2.gz UBYHLVPCJRQTOR-MRXNPFEDSA-N 0 3 238.334 3.201 20 0 BGADHN C[C@@H](c1cccnc1)N(C)C[C@H]1CCC(C)(C)O1 ZINC000299724779 176028683 /nfs/dbraw/zinc/02/86/83/176028683.db2.gz UDXALFFJAQZMNM-GXTWGEPZSA-N 0 3 248.370 3.032 20 0 BGADHN C[C@@H](c1cccnc1)N(C)C[C@@H]1CCC(C)(C)O1 ZINC000299724782 176029639 /nfs/dbraw/zinc/02/96/39/176029639.db2.gz UDXALFFJAQZMNM-JSGCOSHPSA-N 0 3 248.370 3.032 20 0 BGADHN C[C@H](c1cccnc1)N(C)C[C@@H]1CCC(C)(C)O1 ZINC000299724785 177045281 /nfs/dbraw/zinc/04/52/81/177045281.db2.gz UDXALFFJAQZMNM-OCCSQVGLSA-N 0 3 248.370 3.032 20 0 BGADHN C[C@H](c1cccnc1)N(C)C[C@H]1CCC(C)(C)O1 ZINC000299724788 177044944 /nfs/dbraw/zinc/04/49/44/177044944.db2.gz UDXALFFJAQZMNM-TZMCWYRMSA-N 0 3 248.370 3.032 20 0 BGADHN CC(C)c1ccc(CN2CC[C@@H](C)[C@H](O)C2)cc1 ZINC000299902917 135380930 /nfs/dbraw/zinc/38/09/30/135380930.db2.gz IRJXHVMNLJWGCC-CZUORRHYSA-N 0 3 247.382 3.013 20 0 BGADHN CC(C)c1ccc(CN2CC[C@H](C)[C@H](O)C2)cc1 ZINC000299902921 135380849 /nfs/dbraw/zinc/38/08/49/135380849.db2.gz IRJXHVMNLJWGCC-XJKSGUPXSA-N 0 3 247.382 3.013 20 0 BGADHN C[C@H]1CC[C@H](NCc2ncc(Cl)s2)CC1 ZINC000300215140 518184412 /nfs/dbraw/zinc/18/44/12/518184412.db2.gz MZHYJJVQIVJDLN-KYZUINATSA-N 0 3 244.791 3.465 20 0 BGADHN C[C@H](NC[C@H]1CCC[C@H]1C)c1cscn1 ZINC000300241481 384405693 /nfs/dbraw/zinc/40/56/93/384405693.db2.gz JKRHDQWVXYREOU-OUAUKWLOSA-N 0 3 224.373 3.230 20 0 BGADHN C[C@H](NC[C@@H]1CCC[C@H]1C)c1cscn1 ZINC000300241484 384407252 /nfs/dbraw/zinc/40/72/52/384407252.db2.gz JKRHDQWVXYREOU-VWYCJHECSA-N 0 3 224.373 3.230 20 0 BGADHN C[C@H](NC[C@H]1CCC[C@H]1C)c1nccs1 ZINC000300242747 384336030 /nfs/dbraw/zinc/33/60/30/384336030.db2.gz PINWBWNUAHGZRZ-OUAUKWLOSA-N 0 3 224.373 3.230 20 0 BGADHN C[C@H](NC[C@@H]1CCC[C@H]1C)c1nccs1 ZINC000300242749 384334227 /nfs/dbraw/zinc/33/42/27/384334227.db2.gz PINWBWNUAHGZRZ-VWYCJHECSA-N 0 3 224.373 3.230 20 0 BGADHN C[C@H](NC[C@H]1CCC[C@H]1C)c1ccc(F)cn1 ZINC000300312093 384606976 /nfs/dbraw/zinc/60/69/76/384606976.db2.gz ZICRLZOFSQDUHK-GRYCIOLGSA-N 0 3 236.334 3.308 20 0 BGADHN C[C@H](NC[C@@H]1CCC[C@H]1C)c1ccc(F)cn1 ZINC000300312094 384606962 /nfs/dbraw/zinc/60/69/62/384606962.db2.gz ZICRLZOFSQDUHK-WOPDTQHZSA-N 0 3 236.334 3.308 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2CCS[C@H]2C)c(C)o1 ZINC000300333120 490556448 /nfs/dbraw/zinc/55/64/48/490556448.db2.gz GHZOOMKSXLPMHQ-GAFUQQFSSA-N 0 3 239.384 3.441 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CCS[C@H]2C)c(C)o1 ZINC000300333121 490556473 /nfs/dbraw/zinc/55/64/73/490556473.db2.gz GHZOOMKSXLPMHQ-XHVZSJERSA-N 0 3 239.384 3.441 20 0 BGADHN C[C@@H]1SCC[C@@H]1N[C@H]1CCCc2occc21 ZINC000300333168 490556055 /nfs/dbraw/zinc/55/60/55/490556055.db2.gz HKQCLIONECWQSS-DLOVCJGASA-N 0 3 237.368 3.141 20 0 BGADHN C[C@@H]1SCC[C@H]1N[C@H]1CCCc2occc21 ZINC000300333169 490556095 /nfs/dbraw/zinc/55/60/95/490556095.db2.gz HKQCLIONECWQSS-WCQGTBRESA-N 0 3 237.368 3.141 20 0 BGADHN C[C@H](N[C@H]1CCS[C@H]1C)c1ccccc1F ZINC000300333325 490557338 /nfs/dbraw/zinc/55/73/38/490557338.db2.gz KHWPSZKFTSZXIA-KWBADKCTSA-N 0 3 239.359 3.370 20 0 BGADHN C[C@H](N[C@@H]1CCS[C@H]1C)c1ccccc1F ZINC000300333326 490556928 /nfs/dbraw/zinc/55/69/28/490556928.db2.gz KHWPSZKFTSZXIA-OUJBWJOFSA-N 0 3 239.359 3.370 20 0 BGADHN Cc1ccc([C@H](C)N[C@H]2CCS[C@H]2C)o1 ZINC000300333381 490556817 /nfs/dbraw/zinc/55/68/17/490556817.db2.gz LODDAPXXLQPMFT-DCAQKATOSA-N 0 3 225.357 3.133 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H]2CCS[C@H]2C)o1 ZINC000300333382 490557097 /nfs/dbraw/zinc/55/70/97/490557097.db2.gz LODDAPXXLQPMFT-GARJFASQSA-N 0 3 225.357 3.133 20 0 BGADHN C[C@H](C[C@H](C)O)N[C@H](C)c1csc(Cl)c1 ZINC000300333553 384356226 /nfs/dbraw/zinc/35/62/26/384356226.db2.gz OQQZCWAQTYCTHL-HRDYMLBCSA-N 0 3 247.791 3.212 20 0 BGADHN C[C@@H](N[C@@H](C)C[C@H](C)O)c1csc(Cl)c1 ZINC000300333554 177001743 /nfs/dbraw/zinc/00/17/43/177001743.db2.gz OQQZCWAQTYCTHL-XHNCKOQMSA-N 0 3 247.791 3.212 20 0 BGADHN CCCC[C@@H](C)N[C@@H](C)c1nccnc1C ZINC000300352986 592506936 /nfs/dbraw/zinc/50/69/36/592506936.db2.gz RUVMCHZZLPWPFI-PWSUYJOCSA-N 0 3 221.348 3.014 20 0 BGADHN CCCC[C@@H](C)N[C@H](C)c1nccnc1C ZINC000300352987 592507614 /nfs/dbraw/zinc/50/76/14/592507614.db2.gz RUVMCHZZLPWPFI-ZYHUDNBSSA-N 0 3 221.348 3.014 20 0 BGADHN CO[C@@H]1C[C@H](N[C@H](C)c2ccsc2)C1(C)C ZINC000300357990 384683152 /nfs/dbraw/zinc/68/31/52/384683152.db2.gz AEFIJGHQSWQEEF-ADEWGFFLSA-N 0 3 239.384 3.212 20 0 BGADHN CO[C@@H]1C[C@@H](N[C@H](C)c2ccsc2)C1(C)C ZINC000300357991 384684575 /nfs/dbraw/zinc/68/45/75/384684575.db2.gz AEFIJGHQSWQEEF-YUSALJHKSA-N 0 3 239.384 3.212 20 0 BGADHN Cc1cnc(CN[C@@H]2C[C@H](C)CC[C@H]2C)s1 ZINC000300361784 352560321 /nfs/dbraw/zinc/56/03/21/352560321.db2.gz IAHDZLKXZWBPEB-CKYFFXLPSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1cnc(CN[C@@H]2C[C@@H](C)CC[C@H]2C)s1 ZINC000300361788 346431942 /nfs/dbraw/zinc/43/19/42/346431942.db2.gz IAHDZLKXZWBPEB-HOSYDEDBSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1cnc([C@H](C)N[C@@H]2CCCC[C@H]2C)o1 ZINC000300395970 387204841 /nfs/dbraw/zinc/20/48/41/387204841.db2.gz RIYGIWBVKDGXHJ-ADEWGFFLSA-N 0 3 222.332 3.212 20 0 BGADHN Cc1cnc([C@H](C)N[C@H]2CCCC[C@H]2C)o1 ZINC000300395971 387203695 /nfs/dbraw/zinc/20/36/95/387203695.db2.gz RIYGIWBVKDGXHJ-USWWRNFRSA-N 0 3 222.332 3.212 20 0 BGADHN CC[C@H](C)[C@H](C)N[C@H](C)c1ncc(C)o1 ZINC000300396066 384369783 /nfs/dbraw/zinc/36/97/83/384369783.db2.gz WVLYKPKMBATBJH-INTQDDNPSA-N 0 3 210.321 3.068 20 0 BGADHN CC[C@H](C)[C@@H](C)N[C@H](C)c1ncc(C)o1 ZINC000300396067 384369654 /nfs/dbraw/zinc/36/96/54/384369654.db2.gz WVLYKPKMBATBJH-JMJZKYOTSA-N 0 3 210.321 3.068 20 0 BGADHN CC[C@@H]1CCC[C@H]1N[C@H](C)c1ncc(C)o1 ZINC000300400713 171003127 /nfs/dbraw/zinc/00/31/27/171003127.db2.gz STKFWKHFHWVRDF-IJLUTSLNSA-N 0 3 222.332 3.212 20 0 BGADHN CC[C@@H]1CCC[C@@H]1N[C@H](C)c1ncc(C)o1 ZINC000300400714 345921321 /nfs/dbraw/zinc/92/13/21/345921321.db2.gz STKFWKHFHWVRDF-UTUOFQBUSA-N 0 3 222.332 3.212 20 0 BGADHN Cc1cnc([C@H](C)N[C@@H]2CCC[C@@H](C)[C@H]2C)o1 ZINC000300411912 387520001 /nfs/dbraw/zinc/52/00/01/387520001.db2.gz CSUJZVBPQSBQHH-FOUMNBMASA-N 0 3 236.359 3.458 20 0 BGADHN Cc1cnc([C@H](C)N[C@@H]2CCC[C@H](C)[C@@H]2C)o1 ZINC000300411913 387520508 /nfs/dbraw/zinc/52/05/08/387520508.db2.gz CSUJZVBPQSBQHH-XYJRDEOASA-N 0 3 236.359 3.458 20 0 BGADHN Cc1cnc([C@H](C)N[C@@H]2CCC[C@H](C)[C@H]2C)o1 ZINC000300411914 387520300 /nfs/dbraw/zinc/52/03/00/387520300.db2.gz CSUJZVBPQSBQHH-ZBAXXZLZSA-N 0 3 236.359 3.458 20 0 BGADHN CO[C@@H]1C[C@H](N[C@H](C)c2ccc(C)o2)C1(C)C ZINC000300412201 387208025 /nfs/dbraw/zinc/20/80/25/387208025.db2.gz RXIZKXJKNSZLBQ-KGYLQXTDSA-N 0 3 237.343 3.052 20 0 BGADHN CO[C@@H]1C[C@@H](N[C@H](C)c2ccc(C)o2)C1(C)C ZINC000300412202 387207409 /nfs/dbraw/zinc/20/74/09/387207409.db2.gz RXIZKXJKNSZLBQ-RAIGVLPGSA-N 0 3 237.343 3.052 20 0 BGADHN C[C@H](N[C@H]1CCO[C@H]1C1CC1)c1cccc(F)c1 ZINC000300413845 387520121 /nfs/dbraw/zinc/52/01/21/387520121.db2.gz GUVJFABGAIGLOX-LKTVYLICSA-N 0 3 249.329 3.044 20 0 BGADHN C[C@H](N[C@@H]1CCO[C@H]1C1CC1)c1cccc(F)c1 ZINC000300413846 387520079 /nfs/dbraw/zinc/52/00/79/387520079.db2.gz GUVJFABGAIGLOX-VQISRLSMSA-N 0 3 249.329 3.044 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CN[C@]2(C)CCCOC2)o1 ZINC000300414090 176407471 /nfs/dbraw/zinc/40/74/71/176407471.db2.gz JGFHPEVISNYOOB-OSAQELSMSA-N 0 3 249.354 3.062 20 0 BGADHN C[C@@H]1C[C@H]1c1ccc(CN[C@]2(C)CCCOC2)o1 ZINC000300414091 387208401 /nfs/dbraw/zinc/20/84/01/387208401.db2.gz JGFHPEVISNYOOB-UXIGCNINSA-N 0 3 249.354 3.062 20 0 BGADHN C[C@H](N[C@H]1CCO[C@H]1C1CC1)c1ccc(F)cc1 ZINC000300415237 387519755 /nfs/dbraw/zinc/51/97/55/387519755.db2.gz TZTCVSLVXDRUJA-LKTVYLICSA-N 0 3 249.329 3.044 20 0 BGADHN C[C@H](N[C@@H]1CCO[C@H]1C1CC1)c1ccc(F)cc1 ZINC000300415238 387520490 /nfs/dbraw/zinc/52/04/90/387520490.db2.gz TZTCVSLVXDRUJA-VQISRLSMSA-N 0 3 249.329 3.044 20 0 BGADHN C[C@H](N[C@H]1CCO[C@H]1C1CC1)c1ccccc1F ZINC000300415690 387520292 /nfs/dbraw/zinc/52/02/92/387520292.db2.gz YPLDGMAZROADFV-LKTVYLICSA-N 0 3 249.329 3.044 20 0 BGADHN C[C@H](N[C@@H]1CCO[C@H]1C1CC1)c1ccccc1F ZINC000300415691 387519987 /nfs/dbraw/zinc/51/99/87/387519987.db2.gz YPLDGMAZROADFV-VQISRLSMSA-N 0 3 249.329 3.044 20 0 BGADHN Cc1cnc([C@H](C)N[C@@H]2CC[C@H](C)C[C@H]2C)o1 ZINC000300416700 387209917 /nfs/dbraw/zinc/20/99/17/387209917.db2.gz ULCOQPBQXPVISY-JULQROHOSA-N 0 3 236.359 3.458 20 0 BGADHN Cc1cnc([C@H](C)N[C@@H]2CC[C@@H](C)C[C@H]2C)o1 ZINC000300416701 387209348 /nfs/dbraw/zinc/20/93/48/387209348.db2.gz ULCOQPBQXPVISY-VCDKRKBESA-N 0 3 236.359 3.458 20 0 BGADHN Cc1cnc([C@H](C)N[C@@H]2CC[C@H](C)C[C@@H]2C)o1 ZINC000300416702 387210165 /nfs/dbraw/zinc/21/01/65/387210165.db2.gz ULCOQPBQXPVISY-XRRVDJEJSA-N 0 3 236.359 3.458 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CN[C@@]2(C)CCO[C@H]2C)o1 ZINC000300418826 384795183 /nfs/dbraw/zinc/79/51/83/384795183.db2.gz DSXDYLMGTKIEAU-MPXAEWJHSA-N 0 3 249.354 3.060 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CN[C@]2(C)CCO[C@H]2C)o1 ZINC000300418827 398344418 /nfs/dbraw/zinc/34/44/18/398344418.db2.gz DSXDYLMGTKIEAU-REJLFOLJSA-N 0 3 249.354 3.060 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CN[C@]2(C)CCO[C@@H]2C)o1 ZINC000300418828 398344501 /nfs/dbraw/zinc/34/45/01/398344501.db2.gz DSXDYLMGTKIEAU-UQFNBPPOSA-N 0 3 249.354 3.060 20 0 BGADHN CCc1cnc(CN[C@H]2[C@H](C)CCC[C@@H]2C)o1 ZINC000300419063 346672668 /nfs/dbraw/zinc/67/26/68/346672668.db2.gz MZXRMABUEDCFRH-YABSGUDNSA-N 0 3 236.359 3.151 20 0 BGADHN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NCc1ccno1 ZINC000300419184 322996596 /nfs/dbraw/zinc/99/65/96/322996596.db2.gz RSCYUACBJFAUAA-KWCYVHTRSA-N 0 3 236.359 3.225 20 0 BGADHN CC(C)[C@H]1CC[C@@H](C)C[C@H]1NCc1ccno1 ZINC000300419185 322996567 /nfs/dbraw/zinc/99/65/67/322996567.db2.gz RSCYUACBJFAUAA-MRVWCRGKSA-N 0 3 236.359 3.225 20 0 BGADHN CCc1cnc(CN[C@@H]2CCC[C@H](C)[C@H]2C)o1 ZINC000300419371 323036864 /nfs/dbraw/zinc/03/68/64/323036864.db2.gz CPYKFIKTPQFZNN-DMDPSCGWSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1cnc(CN[C@@H]2CCC[C@@H](C)[C@H]2C)o1 ZINC000300419372 322996599 /nfs/dbraw/zinc/99/65/99/322996599.db2.gz CPYKFIKTPQFZNN-NQBHXWOUSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1cnc(CN[C@@H]2CC[C@H](C)C[C@H]2C)o1 ZINC000300419561 384547812 /nfs/dbraw/zinc/54/78/12/384547812.db2.gz IFTVSICOTZKJHZ-DMDPSCGWSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1cnc(CN[C@@H]2CC[C@@H](C)C[C@H]2C)o1 ZINC000300419562 322996606 /nfs/dbraw/zinc/99/66/06/322996606.db2.gz IFTVSICOTZKJHZ-NQBHXWOUSA-N 0 3 236.359 3.151 20 0 BGADHN Cc1nccnc1[C@H](C)N[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000300420285 180283841 /nfs/dbraw/zinc/28/38/41/180283841.db2.gz CDMTYVZJNCUNRR-AUZPSNTRSA-N 0 3 247.386 3.260 20 0 BGADHN Cc1nccnc1[C@H](C)N[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000300420286 180283458 /nfs/dbraw/zinc/28/34/58/180283458.db2.gz CDMTYVZJNCUNRR-MHDGFBEUSA-N 0 3 247.386 3.260 20 0 BGADHN Cc1nccnc1[C@H](C)N[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000300420287 180284183 /nfs/dbraw/zinc/28/41/83/180284183.db2.gz CDMTYVZJNCUNRR-UZGDPCLZSA-N 0 3 247.386 3.260 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2CCO[C@H]2C2CC2)c(C)o1 ZINC000300424090 178258283 /nfs/dbraw/zinc/25/82/83/178258283.db2.gz BWKUBOJPGAXHKA-LKTVYLICSA-N 0 3 249.354 3.115 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CCO[C@H]2C2CC2)c(C)o1 ZINC000300424091 178255156 /nfs/dbraw/zinc/25/51/56/178255156.db2.gz BWKUBOJPGAXHKA-VQISRLSMSA-N 0 3 249.354 3.115 20 0 BGADHN CO[C@@H]1C[C@H](N[C@H]2CCCc3occc32)C1(C)C ZINC000300425450 398344568 /nfs/dbraw/zinc/34/45/68/398344568.db2.gz YTGMOFFZKOUMIX-FPMFFAJLSA-N 0 3 249.354 3.060 20 0 BGADHN CO[C@@H]1C[C@@H](N[C@H]2CCCc3occc32)C1(C)C ZINC000300425451 398344549 /nfs/dbraw/zinc/34/45/49/398344549.db2.gz YTGMOFFZKOUMIX-IACUBPJLSA-N 0 3 249.354 3.060 20 0 BGADHN CCC[C@@H]1C[C@H]1N[C@H](COC)c1ccccc1 ZINC000300590008 527867780 /nfs/dbraw/zinc/86/77/80/527867780.db2.gz UKLMIMFUBKUCQX-RBSFLKMASA-N 0 3 233.355 3.152 20 0 BGADHN Cc1cnc([C@@H](C)N[C@H]2[C@H](C)CCC[C@@H]2C)o1 ZINC000300712268 384812207 /nfs/dbraw/zinc/81/22/07/384812207.db2.gz GHPGCJHOUGOVKG-DNIRFERGSA-N 0 3 236.359 3.458 20 0 BGADHN Cc1cnc([C@H](C)NC2[C@H](C)CCC[C@H]2C)o1 ZINC000300712270 384813237 /nfs/dbraw/zinc/81/32/37/384813237.db2.gz GHPGCJHOUGOVKG-FOGDFJRCSA-N 0 3 236.359 3.458 20 0 BGADHN Cc1cnc([C@H](C)N[C@H]2[C@H](C)CCC[C@@H]2C)o1 ZINC000300712272 387239724 /nfs/dbraw/zinc/23/97/24/387239724.db2.gz GHPGCJHOUGOVKG-JULQROHOSA-N 0 3 236.359 3.458 20 0 BGADHN NCc1ccccc1OCCC1CCCC1 ZINC000300757900 259327907 /nfs/dbraw/zinc/32/79/07/259327907.db2.gz MZRCGEOOUWGLBQ-UHFFFAOYSA-N 0 3 219.328 3.104 20 0 BGADHN c1cc(CNCC2CCCCCCC2)no1 ZINC000300764589 592519019 /nfs/dbraw/zinc/51/90/19/592519019.db2.gz PUMXYSUQDXXSHS-UHFFFAOYSA-N 0 3 222.332 3.125 20 0 BGADHN Cc1sc([C@@H]2CCCCN2)nc1C1CC1 ZINC000300764854 388392285 /nfs/dbraw/zinc/39/22/85/388392285.db2.gz OLWYBNXVAAFDIG-JTQLQIEISA-N 0 3 222.357 3.144 20 0 BGADHN Cc1sc([C@H]2CCCCN2)nc1C1CC1 ZINC000300764860 388391933 /nfs/dbraw/zinc/39/19/33/388391933.db2.gz OLWYBNXVAAFDIG-SNVBAGLBSA-N 0 3 222.357 3.144 20 0 BGADHN CCSCCCNCc1ccc(Cl)o1 ZINC000300765548 384541203 /nfs/dbraw/zinc/54/12/03/384541203.db2.gz DHXQJEVNFKQFDE-UHFFFAOYSA-N 0 3 233.764 3.166 20 0 BGADHN CCSCCCNCc1cc(F)cc(F)c1 ZINC000300773982 384878999 /nfs/dbraw/zinc/87/89/99/384878999.db2.gz JVTXLEWHAPNKSH-UHFFFAOYSA-N 0 3 245.338 3.198 20 0 BGADHN Cc1noc(C)c1CNC[C@@H](C)CC(C)C ZINC000300820003 386619987 /nfs/dbraw/zinc/61/99/87/386619987.db2.gz AYGCRJDCEYAQGX-JTQLQIEISA-N 0 3 224.348 3.063 20 0 BGADHN Cc1noc(C)c1CNC[C@H](C)CC(C)C ZINC000300820006 384957394 /nfs/dbraw/zinc/95/73/94/384957394.db2.gz AYGCRJDCEYAQGX-SNVBAGLBSA-N 0 3 224.348 3.063 20 0 BGADHN CC(C)(C)CCCOc1ccccc1CN ZINC000300861288 349395905 /nfs/dbraw/zinc/39/59/05/349395905.db2.gz NPJPEWMIRCIBCK-UHFFFAOYSA-N 0 3 221.344 3.350 20 0 BGADHN Cc1cnc(CNC[C@@H](C)CC(C)C)s1 ZINC000300889808 384633414 /nfs/dbraw/zinc/63/34/14/384633414.db2.gz JSWQLNVJOOIDEH-JTQLQIEISA-N 0 3 226.389 3.223 20 0 BGADHN Cc1cnc(CNC[C@H](C)CC(C)C)s1 ZINC000300889811 398062285 /nfs/dbraw/zinc/06/22/85/398062285.db2.gz JSWQLNVJOOIDEH-SNVBAGLBSA-N 0 3 226.389 3.223 20 0 BGADHN CCSCCCNCc1cc(C)ccc1F ZINC000300920972 385058537 /nfs/dbraw/zinc/05/85/37/385058537.db2.gz LFIOXJCAYOFJJW-UHFFFAOYSA-N 0 3 241.375 3.367 20 0 BGADHN COC(C)(C)[C@@H](C)NCc1ccc(Cl)s1 ZINC000300958769 384744287 /nfs/dbraw/zinc/74/42/87/384744287.db2.gz HYDWGLPYHSTXQH-MRVPVSSYSA-N 0 3 247.791 3.305 20 0 BGADHN COC(C)(C)[C@H](C)NCc1ccc(Cl)s1 ZINC000300958771 384744926 /nfs/dbraw/zinc/74/49/26/384744926.db2.gz HYDWGLPYHSTXQH-QMMMGPOBSA-N 0 3 247.791 3.305 20 0 BGADHN CC(C)C[C@@H](C)COc1ccccc1CN ZINC000300975294 349486642 /nfs/dbraw/zinc/48/66/42/349486642.db2.gz SQYFHBJRHHVNDQ-GFCCVEGCSA-N 0 3 221.344 3.206 20 0 BGADHN CC(C)C[C@H](C)COc1ccccc1CN ZINC000300975297 349486741 /nfs/dbraw/zinc/48/67/41/349486741.db2.gz SQYFHBJRHHVNDQ-LBPRGKRZSA-N 0 3 221.344 3.206 20 0 BGADHN CCc1cnc(CNC[C@H](C)CC(C)C)s1 ZINC000300981260 347325518 /nfs/dbraw/zinc/32/55/18/347325518.db2.gz UFOSWEWRPXHCRL-LLVKDONJSA-N 0 3 240.416 3.477 20 0 BGADHN CCc1cnc(CNC[C@@H](C)CC(C)C)s1 ZINC000300981261 347325642 /nfs/dbraw/zinc/32/56/42/347325642.db2.gz UFOSWEWRPXHCRL-NSHDSACASA-N 0 3 240.416 3.477 20 0 BGADHN CC(C)C[C@@H](C)CN[C@@H](C)c1nccs1 ZINC000301014352 528254140 /nfs/dbraw/zinc/25/41/40/528254140.db2.gz ZIJLPIUTIALBNJ-MNOVXSKESA-N 0 3 226.389 3.476 20 0 BGADHN CC(C)C[C@H](C)CN[C@@H](C)c1nccs1 ZINC000301014353 528461741 /nfs/dbraw/zinc/46/17/41/528461741.db2.gz ZIJLPIUTIALBNJ-QWRGUYRKSA-N 0 3 226.389 3.476 20 0 BGADHN Cc1nc(CNC[C@@H](C)CC(C)C)cs1 ZINC000301015321 490573706 /nfs/dbraw/zinc/57/37/06/490573706.db2.gz ZOAMQQBJGVNMDM-JTQLQIEISA-N 0 3 226.389 3.223 20 0 BGADHN Cc1nc(CNC[C@H](C)CC(C)C)cs1 ZINC000301015322 490574063 /nfs/dbraw/zinc/57/40/63/490574063.db2.gz ZOAMQQBJGVNMDM-SNVBAGLBSA-N 0 3 226.389 3.223 20 0 BGADHN COC(C)(C)[C@H](C)NCc1ccccc1Cl ZINC000301041826 385248182 /nfs/dbraw/zinc/24/81/82/385248182.db2.gz ZOBRYPWMQBAPMD-JTQLQIEISA-N 0 3 241.762 3.243 20 0 BGADHN COC(C)(C)[C@@H](C)NCc1ccccc1Cl ZINC000301041827 385248361 /nfs/dbraw/zinc/24/83/61/385248361.db2.gz ZOBRYPWMQBAPMD-SNVBAGLBSA-N 0 3 241.762 3.243 20 0 BGADHN Cc1cc(N(C)CC2CC2)c2ccccc2n1 ZINC000301056120 178096857 /nfs/dbraw/zinc/09/68/57/178096857.db2.gz AYMXBJDDZXNUFB-UHFFFAOYSA-N 0 3 226.323 3.389 20 0 BGADHN CCCN(C)c1cc(C)nc2ccccc21 ZINC000301073199 169088128 /nfs/dbraw/zinc/08/81/28/169088128.db2.gz FQEFMXMDZVYHLW-UHFFFAOYSA-N 0 3 214.312 3.389 20 0 BGADHN COCCCN(C)c1cc(C)nc2ccccc21 ZINC000301132121 174219768 /nfs/dbraw/zinc/21/97/68/174219768.db2.gz WDNWATRXFJPDAQ-UHFFFAOYSA-N 0 3 244.338 3.016 20 0 BGADHN Cc1cc(N2CC[C@@H](C)C2)c2ccccc2n1 ZINC000301155170 178117084 /nfs/dbraw/zinc/11/70/84/178117084.db2.gz RBPSWMJQQGPTEI-LLVKDONJSA-N 0 3 226.323 3.389 20 0 BGADHN Cc1cc(N2CC[C@H](C)C2)c2ccccc2n1 ZINC000301155171 178119594 /nfs/dbraw/zinc/11/95/94/178119594.db2.gz RBPSWMJQQGPTEI-NSHDSACASA-N 0 3 226.323 3.389 20 0 BGADHN CSCCN(C)c1cc(C)nc2ccccc21 ZINC000301544047 386853750 /nfs/dbraw/zinc/85/37/50/386853750.db2.gz DFISPENMQSTHEH-UHFFFAOYSA-N 0 3 246.379 3.342 20 0 BGADHN Cc1cc(CNCC2CCCCCCC2)on1 ZINC000301569537 592536555 /nfs/dbraw/zinc/53/65/55/592536555.db2.gz FEWVUQISNXZIGI-UHFFFAOYSA-N 0 3 236.359 3.433 20 0 BGADHN CCCc1cc(NCCOC)c2ccccc2n1 ZINC000301758487 386875864 /nfs/dbraw/zinc/87/58/64/386875864.db2.gz AMBASUVEMGOFNB-UHFFFAOYSA-N 0 3 244.338 3.246 20 0 BGADHN CC(C)=CCNCc1cnc2ccccc2c1 ZINC000302009019 592544318 /nfs/dbraw/zinc/54/43/18/592544318.db2.gz FFYUAQXKJFVOIX-UHFFFAOYSA-N 0 3 226.323 3.291 20 0 BGADHN CCc1c(C)nc2ccccc2c1NCCOC ZINC000302058533 386898612 /nfs/dbraw/zinc/89/86/12/386898612.db2.gz REJKDMPYJDWWDE-UHFFFAOYSA-N 0 3 244.338 3.164 20 0 BGADHN Cc1nc2ccccc2c(N2CCCC2)c1C ZINC000302081949 180100900 /nfs/dbraw/zinc/10/09/00/180100900.db2.gz LUKHDFZNABTMHJ-UHFFFAOYSA-N 0 3 226.323 3.452 20 0 BGADHN Cc1ccc2nccc(NCCOC(C)C)c2c1 ZINC000302127897 398325176 /nfs/dbraw/zinc/32/51/76/398325176.db2.gz BFWQXQXZXMAJDJ-UHFFFAOYSA-N 0 3 244.338 3.380 20 0 BGADHN CCCN(C)c1ccnc2ccc(C)cc21 ZINC000302138629 169088936 /nfs/dbraw/zinc/08/89/36/169088936.db2.gz COVGODCAAFTNTH-UHFFFAOYSA-N 0 3 214.312 3.389 20 0 BGADHN COCCCN(C)c1ccnc2ccc(C)cc21 ZINC000302142516 174220839 /nfs/dbraw/zinc/22/08/39/174220839.db2.gz FSVQKHXZDZEWNQ-UHFFFAOYSA-N 0 3 244.338 3.016 20 0 BGADHN COC(C)(C)CNc1ccnc2ccc(C)cc21 ZINC000302142888 173944883 /nfs/dbraw/zinc/94/48/83/173944883.db2.gz FXZSLRHHAOEIRT-UHFFFAOYSA-N 0 3 244.338 3.380 20 0 BGADHN Cc1ccc2nccc(N[C@H](C)CCCO)c2c1 ZINC000302145931 386906673 /nfs/dbraw/zinc/90/66/73/386906673.db2.gz HTACCGKFAJWHPQ-GFCCVEGCSA-N 0 3 244.338 3.116 20 0 BGADHN Cc1ccc2nccc(N[C@@H](C)CCCO)c2c1 ZINC000302145932 386906079 /nfs/dbraw/zinc/90/60/79/386906079.db2.gz HTACCGKFAJWHPQ-LBPRGKRZSA-N 0 3 244.338 3.116 20 0 BGADHN Cc1ccc2nccc(N3CCCC3)c2c1 ZINC000302145937 386907444 /nfs/dbraw/zinc/90/74/44/386907444.db2.gz HTLOKASFRNRVFF-UHFFFAOYSA-N 0 3 212.296 3.143 20 0 BGADHN CC[C@](C)(O)CNc1ccnc2ccc(C)cc21 ZINC000302151873 386909381 /nfs/dbraw/zinc/90/93/81/386909381.db2.gz KUZXPVRYDCHWAQ-HNNXBMFYSA-N 0 3 244.338 3.116 20 0 BGADHN CC[C@@](C)(O)CNc1ccnc2ccc(C)cc21 ZINC000302151875 171186070 /nfs/dbraw/zinc/18/60/70/171186070.db2.gz KUZXPVRYDCHWAQ-OAHLLOKOSA-N 0 3 244.338 3.116 20 0 BGADHN Cc1cccc2c1ncc(C)c2N[C@@H]1CCOC1 ZINC000302152985 179656387 /nfs/dbraw/zinc/65/63/87/179656387.db2.gz CLUXTAKQSPMYKR-GFCCVEGCSA-N 0 3 242.322 3.052 20 0 BGADHN Cc1cccc2c1ncc(C)c2N[C@H]1CCOC1 ZINC000302152986 386908256 /nfs/dbraw/zinc/90/82/56/386908256.db2.gz CLUXTAKQSPMYKR-LBPRGKRZSA-N 0 3 242.322 3.052 20 0 BGADHN CCOCCCNc1ccnc2ccc(C)cc21 ZINC000302158684 170384417 /nfs/dbraw/zinc/38/44/17/170384417.db2.gz NZJZXZRCYBGRAR-UHFFFAOYSA-N 0 3 244.338 3.382 20 0 BGADHN Cc1ccc2nccc(NC3CCOCC3)c2c1 ZINC000302161737 386909332 /nfs/dbraw/zinc/90/93/32/386909332.db2.gz PQWOEKFCPSGOMG-UHFFFAOYSA-N 0 3 242.322 3.134 20 0 BGADHN CC[C@H](CCO)Nc1ccnc2ccc(C)cc21 ZINC000302162636 386908507 /nfs/dbraw/zinc/90/85/07/386908507.db2.gz PXYYOQSYNJKFQE-GFCCVEGCSA-N 0 3 244.338 3.116 20 0 BGADHN CC[C@@H](CCO)Nc1ccnc2ccc(C)cc21 ZINC000302162637 170821404 /nfs/dbraw/zinc/82/14/04/170821404.db2.gz PXYYOQSYNJKFQE-LBPRGKRZSA-N 0 3 244.338 3.116 20 0 BGADHN CCC[C@@H](O)CNc1ccnc2ccc(C)cc21 ZINC000302166050 386908891 /nfs/dbraw/zinc/90/88/91/386908891.db2.gz RHRHDXOCMQZUJR-GFCCVEGCSA-N 0 3 244.338 3.116 20 0 BGADHN CCC[C@H](O)CNc1ccnc2ccc(C)cc21 ZINC000302166051 386909172 /nfs/dbraw/zinc/90/91/72/386909172.db2.gz RHRHDXOCMQZUJR-LBPRGKRZSA-N 0 3 244.338 3.116 20 0 BGADHN Cc1ccc2nccc(NC[C@H]3CCCO3)c2c1 ZINC000302166102 386909228 /nfs/dbraw/zinc/90/92/28/386909228.db2.gz RKXUINHZLKSZIP-GFCCVEGCSA-N 0 3 242.322 3.134 20 0 BGADHN Cc1ccc2nccc(NC[C@@H]3CCCO3)c2c1 ZINC000302166103 178985216 /nfs/dbraw/zinc/98/52/16/178985216.db2.gz RKXUINHZLKSZIP-LBPRGKRZSA-N 0 3 242.322 3.134 20 0 BGADHN Cc1ccc2nccc(NCC3CC3)c2c1 ZINC000302173452 384977599 /nfs/dbraw/zinc/97/75/99/384977599.db2.gz VVLFTYVUGIVGRG-UHFFFAOYSA-N 0 3 212.296 3.365 20 0 BGADHN Cc1ccc2nccc(N3CCSCC3)c2c1 ZINC000302174360 132261354 /nfs/dbraw/zinc/26/13/54/132261354.db2.gz WJHNSWHXPGLCRQ-UHFFFAOYSA-N 0 3 244.363 3.096 20 0 BGADHN COCC[C@@H](C)Nc1ccnc2ccc(C)cc21 ZINC000302175807 174386778 /nfs/dbraw/zinc/38/67/78/174386778.db2.gz XCCIMDHWCBCWNR-GFCCVEGCSA-N 0 3 244.338 3.380 20 0 BGADHN COCC[C@H](C)Nc1ccnc2ccc(C)cc21 ZINC000302175810 386910549 /nfs/dbraw/zinc/91/05/49/386910549.db2.gz XCCIMDHWCBCWNR-LBPRGKRZSA-N 0 3 244.338 3.380 20 0 BGADHN Cc1ccc2nccc(N(C)CC3CC3)c2c1 ZINC000302176916 178983106 /nfs/dbraw/zinc/98/31/06/178983106.db2.gz XLODALGHRUQRQK-UHFFFAOYSA-N 0 3 226.323 3.389 20 0 BGADHN CSCCN(C)c1ccnc2ccc(C)cc21 ZINC000302176986 386911024 /nfs/dbraw/zinc/91/10/24/386911024.db2.gz XNULLAFPTQWANK-UHFFFAOYSA-N 0 3 246.379 3.342 20 0 BGADHN Cc1ccc2nccc(N[C@@H]3CCCOC3)c2c1 ZINC000302178395 386911098 /nfs/dbraw/zinc/91/10/98/386911098.db2.gz YCMYRGQVGFKTIJ-GFCCVEGCSA-N 0 3 242.322 3.134 20 0 BGADHN Cc1ccc2nccc(N[C@H]3CCCOC3)c2c1 ZINC000302178396 386910512 /nfs/dbraw/zinc/91/05/12/386910512.db2.gz YCMYRGQVGFKTIJ-LBPRGKRZSA-N 0 3 242.322 3.134 20 0 BGADHN CCOCCN(C)c1ccnc2ccc(C)cc21 ZINC000302205802 170390929 /nfs/dbraw/zinc/39/09/29/170390929.db2.gz DGFMQBQOEAKAAR-UHFFFAOYSA-N 0 3 244.338 3.016 20 0 BGADHN CC[C@@H](O)CCNc1ccnc2ccc(C)cc21 ZINC000302226559 386917747 /nfs/dbraw/zinc/91/77/47/386917747.db2.gz PQRHWRVMCGBHIR-GFCCVEGCSA-N 0 3 244.338 3.116 20 0 BGADHN CC[C@H](O)CCNc1ccnc2ccc(C)cc21 ZINC000302226560 386917464 /nfs/dbraw/zinc/91/74/64/386917464.db2.gz PQRHWRVMCGBHIR-LBPRGKRZSA-N 0 3 244.338 3.116 20 0 BGADHN CC(C)COCCNC(C)(C)c1ccccc1 ZINC000302456618 528097244 /nfs/dbraw/zinc/09/72/44/528097244.db2.gz WFZVOVHSWCEERI-UHFFFAOYSA-N 0 3 235.371 3.184 20 0 BGADHN CN(C)Cc1cccc(N[C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000302500368 487968154 /nfs/dbraw/zinc/96/81/54/487968154.db2.gz ADFOHAODYVBDRW-VNQPRFMTSA-N 0 3 244.382 3.349 20 0 BGADHN Cc1ccc2nccc(NCCC(C)(C)O)c2c1 ZINC000302507428 386716645 /nfs/dbraw/zinc/71/66/45/386716645.db2.gz WNJYHQIGQZVSNR-UHFFFAOYSA-N 0 3 244.338 3.116 20 0 BGADHN CC[C@@H](CO)Nc1c(C)cnc2c(C)cccc21 ZINC000302508325 386924798 /nfs/dbraw/zinc/92/47/98/386924798.db2.gz RKVCMMXMYYFWOK-LBPRGKRZSA-N 0 3 244.338 3.034 20 0 BGADHN CCC[C@@H](C)NCc1cnc(C(C)(C)C)nc1 ZINC000302548397 490596948 /nfs/dbraw/zinc/59/69/48/490596948.db2.gz VCHPIFYCJYKQIX-LLVKDONJSA-N 0 3 235.375 3.052 20 0 BGADHN CCC[C@H](C)NCc1cnc(C(C)(C)C)nc1 ZINC000302548398 490596992 /nfs/dbraw/zinc/59/69/92/490596992.db2.gz VCHPIFYCJYKQIX-NSHDSACASA-N 0 3 235.375 3.052 20 0 BGADHN Nc1c(F)cccc1CN1CCC2(CCCC2)C1 ZINC000302557330 592549561 /nfs/dbraw/zinc/54/95/61/592549561.db2.gz XEOIQJPCGBNIBW-UHFFFAOYSA-N 0 3 248.345 3.174 20 0 BGADHN CO[C@H](C)CNc1c(C)cnc2c(C)cccc21 ZINC000302611707 386927776 /nfs/dbraw/zinc/92/77/76/386927776.db2.gz BPBMVEUKJQMYPU-GFCCVEGCSA-N 0 3 244.338 3.298 20 0 BGADHN CO[C@@H](C)CNc1c(C)cnc2c(C)cccc21 ZINC000302611708 386928223 /nfs/dbraw/zinc/92/82/23/386928223.db2.gz BPBMVEUKJQMYPU-LBPRGKRZSA-N 0 3 244.338 3.298 20 0 BGADHN CCc1cc(NC[C@@H](C)OC)c2ccccc2n1 ZINC000302660056 386929569 /nfs/dbraw/zinc/92/95/69/386929569.db2.gz LMIJNTLRFZWSFG-LLVKDONJSA-N 0 3 244.338 3.244 20 0 BGADHN CCc1cc(NC[C@H](C)OC)c2ccccc2n1 ZINC000302660057 386929135 /nfs/dbraw/zinc/92/91/35/386929135.db2.gz LMIJNTLRFZWSFG-NSHDSACASA-N 0 3 244.338 3.244 20 0 BGADHN CO[C@H](C)[C@H](C)Nc1ccnc2ccc(C)cc21 ZINC000302722838 386933995 /nfs/dbraw/zinc/93/39/95/386933995.db2.gz QBXLBMBQLYQWOJ-NWDGAFQWSA-N 0 3 244.338 3.379 20 0 BGADHN CO[C@@H](C)[C@H](C)Nc1ccnc2ccc(C)cc21 ZINC000302722839 386934129 /nfs/dbraw/zinc/93/41/29/386934129.db2.gz QBXLBMBQLYQWOJ-RYUDHWBXSA-N 0 3 244.338 3.379 20 0 BGADHN c1ccc2oc(CN3CCCCCC3)nc2c1 ZINC000302744748 398000914 /nfs/dbraw/zinc/00/09/14/398000914.db2.gz ORBPUUDMZVRIIC-UHFFFAOYSA-N 0 3 230.311 3.204 20 0 BGADHN Cc1ccc2nccc(NCCCCCO)c2c1 ZINC000302816001 386730285 /nfs/dbraw/zinc/73/02/85/386730285.db2.gz LHSFWKGBEKONGN-UHFFFAOYSA-N 0 3 244.338 3.118 20 0 BGADHN CCOCCN(C)Cc1ccc(C(C)(C)C)cc1 ZINC000302832173 388849504 /nfs/dbraw/zinc/84/95/04/388849504.db2.gz GDXRNEUTWHHVPE-UHFFFAOYSA-N 0 3 249.398 3.452 20 0 BGADHN CCCCN(CC)Cc1ccccc1F ZINC000302833228 528395395 /nfs/dbraw/zinc/39/53/95/528395395.db2.gz MGILWJOQLSCPJG-UHFFFAOYSA-N 0 3 209.308 3.448 20 0 BGADHN C[C@@H]1C[C@@H](C)CN(Cc2cccc(F)c2F)C1 ZINC000302838252 229287463 /nfs/dbraw/zinc/28/74/63/229287463.db2.gz QTXBPXDOZPFDKK-GHMZBOCLSA-N 0 3 239.309 3.443 20 0 BGADHN C[C@@H]1C[C@H](C)CN(Cc2cccc(F)c2F)C1 ZINC000302838253 229287559 /nfs/dbraw/zinc/28/75/59/229287559.db2.gz QTXBPXDOZPFDKK-PHIMTYICSA-N 0 3 239.309 3.443 20 0 BGADHN C[C@H]1C[C@H](C)CN(Cc2cccc(F)c2F)C1 ZINC000302838255 229287799 /nfs/dbraw/zinc/28/77/99/229287799.db2.gz QTXBPXDOZPFDKK-QWRGUYRKSA-N 0 3 239.309 3.443 20 0 BGADHN CC[C@@H](c1ccccc1)N1CCN(C(C)C)CC1 ZINC000303001728 357080685 /nfs/dbraw/zinc/08/06/85/357080685.db2.gz OJGVMYVDLGVXJH-INIZCTEOSA-N 0 3 246.398 3.164 20 0 BGADHN CC[C@H](c1ccccc1)N1CCN(C(C)C)CC1 ZINC000303001729 387305621 /nfs/dbraw/zinc/30/56/21/387305621.db2.gz OJGVMYVDLGVXJH-MRXNPFEDSA-N 0 3 246.398 3.164 20 0 BGADHN Cc1cc(C)c(CN2CCOC(C)(C)C2)c(C)c1 ZINC000303038885 385626999 /nfs/dbraw/zinc/62/69/99/385626999.db2.gz PMEIUXNGGAPJTN-UHFFFAOYSA-N 0 3 247.382 3.223 20 0 BGADHN COc1cc(C)ccc1[C@@H](C)NCCCF ZINC000303389107 323132765 /nfs/dbraw/zinc/13/27/65/323132765.db2.gz PMKRWUMVIXPQPY-LLVKDONJSA-N 0 3 225.307 3.014 20 0 BGADHN COc1cc(C)ccc1[C@H](C)NCCCF ZINC000303389109 323132749 /nfs/dbraw/zinc/13/27/49/323132749.db2.gz PMKRWUMVIXPQPY-NSHDSACASA-N 0 3 225.307 3.014 20 0 BGADHN C[C@@H](NCCCF)c1nc2ccccc2s1 ZINC000303389171 644819888 /nfs/dbraw/zinc/81/98/88/644819888.db2.gz SRPZNIGASOTWDZ-SECBINFHSA-N 0 3 238.331 3.307 20 0 BGADHN C[C@H](NCCCF)c1nc2ccccc2s1 ZINC000303389600 635928987 /nfs/dbraw/zinc/92/89/87/635928987.db2.gz SRPZNIGASOTWDZ-VIFPVBQESA-N 0 3 238.331 3.307 20 0 BGADHN CC[C@@H]1CN(Cc2cc(C)ccc2C)C[C@@H](C)O1 ZINC000303513997 388857913 /nfs/dbraw/zinc/85/79/13/388857913.db2.gz XLZDQKVLAHISNV-GDBMZVCRSA-N 0 3 247.382 3.303 20 0 BGADHN CC[C@@H]1CN(Cc2cc(C)ccc2C)C[C@H](C)O1 ZINC000303513998 388857979 /nfs/dbraw/zinc/85/79/79/388857979.db2.gz XLZDQKVLAHISNV-GOEBONIOSA-N 0 3 247.382 3.303 20 0 BGADHN CC[C@H]1CN(Cc2cc(C)ccc2C)C[C@H](C)O1 ZINC000303513999 388858003 /nfs/dbraw/zinc/85/80/03/388858003.db2.gz XLZDQKVLAHISNV-HOCLYGCPSA-N 0 3 247.382 3.303 20 0 BGADHN CC[C@H]1CN(Cc2cc(C)ccc2C)C[C@@H](C)O1 ZINC000303514000 388857499 /nfs/dbraw/zinc/85/74/99/388857499.db2.gz XLZDQKVLAHISNV-ZBFHGGJFSA-N 0 3 247.382 3.303 20 0 BGADHN C[C@@H](NCCF)c1ccc2c(c1)CCCC2 ZINC000303520595 533391732 /nfs/dbraw/zinc/39/17/32/533391732.db2.gz RFUJLNJLUJQKCF-LLVKDONJSA-N 0 3 221.319 3.186 20 0 BGADHN C[C@H](NCCF)c1ccc2c(c1)CCCC2 ZINC000303520597 533854973 /nfs/dbraw/zinc/85/49/73/533854973.db2.gz RFUJLNJLUJQKCF-NSHDSACASA-N 0 3 221.319 3.186 20 0 BGADHN Cc1nc(CNC(C(C)C)C(C)C)oc1C ZINC000303526243 490166306 /nfs/dbraw/zinc/16/63/06/490166306.db2.gz WEBICSJQJNOBNG-UHFFFAOYSA-N 0 3 224.348 3.062 20 0 BGADHN CCc1cnc(CNC(C(C)C)C(C)C)o1 ZINC000303526266 490165654 /nfs/dbraw/zinc/16/56/54/490165654.db2.gz YDHPCTXTACYQNX-UHFFFAOYSA-N 0 3 224.348 3.007 20 0 BGADHN CCCCCN(C/C=C/c1ccccc1)CCO ZINC000303550431 528163336 /nfs/dbraw/zinc/16/33/36/528163336.db2.gz VNXPBSPBRWYLHA-DHZHZOJOSA-N 0 3 247.382 3.184 20 0 BGADHN CCc1cnc(CNC[C@H](C)C(C)(C)C)s1 ZINC000303591727 490169170 /nfs/dbraw/zinc/16/91/70/490169170.db2.gz CMMQEIKKAMTIQB-JTQLQIEISA-N 0 3 240.416 3.477 20 0 BGADHN CCc1cnc(CNC[C@@H](C)C(C)(C)C)s1 ZINC000303591728 490169732 /nfs/dbraw/zinc/16/97/32/490169732.db2.gz CMMQEIKKAMTIQB-SNVBAGLBSA-N 0 3 240.416 3.477 20 0 BGADHN CCCN1CCSC[C@H]1c1ccc(C)cc1 ZINC000303630035 369428242 /nfs/dbraw/zinc/42/82/42/369428242.db2.gz FNBVZJHAZFVQNL-AWEZNQCLSA-N 0 3 235.396 3.495 20 0 BGADHN CCCN1CCSC[C@@H]1c1ccc(C)cc1 ZINC000303630036 369427944 /nfs/dbraw/zinc/42/79/44/369427944.db2.gz FNBVZJHAZFVQNL-CQSZACIVSA-N 0 3 235.396 3.495 20 0 BGADHN Cc1cccc(CN2CCS[C@H](C)[C@H]2C)c1 ZINC000303742517 179078374 /nfs/dbraw/zinc/07/83/74/179078374.db2.gz ZLLYPQYGFLWTTA-CHWSQXEVSA-N 0 3 235.396 3.321 20 0 BGADHN Cc1cccc(CN2CCS[C@@H](C)[C@H]2C)c1 ZINC000303742518 179078316 /nfs/dbraw/zinc/07/83/16/179078316.db2.gz ZLLYPQYGFLWTTA-OLZOCXBDSA-N 0 3 235.396 3.321 20 0 BGADHN Cc1cccc(CN2CCS[C@H](C)[C@@H]2C)c1 ZINC000303742521 179079245 /nfs/dbraw/zinc/07/92/45/179079245.db2.gz ZLLYPQYGFLWTTA-QWHCGFSZSA-N 0 3 235.396 3.321 20 0 BGADHN Cc1cccc(CN2CCS[C@@H](C)[C@@H]2C)c1 ZINC000303742523 179080674 /nfs/dbraw/zinc/08/06/74/179080674.db2.gz ZLLYPQYGFLWTTA-STQMWFEESA-N 0 3 235.396 3.321 20 0 BGADHN CCCCCCN(CCOC)Cc1ccco1 ZINC000303849661 644851420 /nfs/dbraw/zinc/85/14/20/644851420.db2.gz ODCYWLZFLOTACO-UHFFFAOYSA-N 0 3 239.359 3.308 20 0 BGADHN CC[C@@H]1CN(CCC2CCCC2)C[C@H](C)O1 ZINC000303958223 171078061 /nfs/dbraw/zinc/07/80/61/171078061.db2.gz YHTGNLBBCWQNEW-GXTWGEPZSA-N 0 3 225.376 3.066 20 0 BGADHN CC[C@H]1CN(CCC2CCCC2)C[C@H](C)O1 ZINC000303958224 387414737 /nfs/dbraw/zinc/41/47/37/387414737.db2.gz YHTGNLBBCWQNEW-JSGCOSHPSA-N 0 3 225.376 3.066 20 0 BGADHN CC[C@H]1CN(CCC2CCCC2)C[C@@H](C)O1 ZINC000303958225 387414759 /nfs/dbraw/zinc/41/47/59/387414759.db2.gz YHTGNLBBCWQNEW-OCCSQVGLSA-N 0 3 225.376 3.066 20 0 BGADHN CC[C@@H]1CN(CCC2CCCC2)C[C@@H](C)O1 ZINC000303958226 171079052 /nfs/dbraw/zinc/07/90/52/171079052.db2.gz YHTGNLBBCWQNEW-TZMCWYRMSA-N 0 3 225.376 3.066 20 0 BGADHN CC1(C)CC[C@@H](NCCF)c2ccccc21 ZINC000304124159 357158269 /nfs/dbraw/zinc/15/82/69/357158269.db2.gz DYFJEMFIVUPARU-CYBMUJFWSA-N 0 3 221.319 3.358 20 0 BGADHN CC1(C)CC[C@H](NCCF)c2ccccc21 ZINC000304124160 357158110 /nfs/dbraw/zinc/15/81/10/357158110.db2.gz DYFJEMFIVUPARU-ZDUSSCGKSA-N 0 3 221.319 3.358 20 0 BGADHN FCCNCc1ccc(-c2ccccc2)s1 ZINC000304124691 229341830 /nfs/dbraw/zinc/34/18/30/229341830.db2.gz GQDSDPVJUAOUBF-UHFFFAOYSA-N 0 3 235.327 3.474 20 0 BGADHN CCC[C@@](C)(CO)NCc1cc2ccccc2o1 ZINC000304258272 387455962 /nfs/dbraw/zinc/45/59/62/387455962.db2.gz SGYANTMHSJLRPX-HNNXBMFYSA-N 0 3 247.338 3.074 20 0 BGADHN CCC[C@](C)(CO)NCc1cc2ccccc2o1 ZINC000304258275 387455193 /nfs/dbraw/zinc/45/51/93/387455193.db2.gz SGYANTMHSJLRPX-OAHLLOKOSA-N 0 3 247.338 3.074 20 0 BGADHN c1nc(CNC(C2CCC2)C2CCC2)cs1 ZINC000304258538 387455924 /nfs/dbraw/zinc/45/59/24/387455924.db2.gz AHZVFBFNGZIKJH-UHFFFAOYSA-N 0 3 236.384 3.202 20 0 BGADHN Cc1noc(C)c1[C@@H](C)NCCSC(C)C ZINC000304262083 371771786 /nfs/dbraw/zinc/77/17/86/371771786.db2.gz JFXAUQGVPMNGPF-SECBINFHSA-N 0 3 242.388 3.084 20 0 BGADHN Cc1noc(C)c1[C@H](C)NCCSC(C)C ZINC000304262084 371771618 /nfs/dbraw/zinc/77/16/18/371771618.db2.gz JFXAUQGVPMNGPF-VIFPVBQESA-N 0 3 242.388 3.084 20 0 BGADHN CCC[C@](C)(CO)NCc1ccc(Cl)s1 ZINC000304262933 169545482 /nfs/dbraw/zinc/54/54/82/169545482.db2.gz ULXAICTVUNVZGI-LLVKDONJSA-N 0 3 247.791 3.042 20 0 BGADHN CCC[C@@](C)(CO)NCc1ccc(Cl)s1 ZINC000304262934 387523685 /nfs/dbraw/zinc/52/36/85/387523685.db2.gz ULXAICTVUNVZGI-NSHDSACASA-N 0 3 247.791 3.042 20 0 BGADHN C[C@@H](c1cccs1)N(C)C[C@@H](O)C(C)(C)C ZINC000304266243 176032768 /nfs/dbraw/zinc/03/27/68/176032768.db2.gz UVKRKVHWJLKAON-CMPLNLGQSA-N 0 3 241.400 3.148 20 0 BGADHN C[C@@H](c1cccs1)N(C)C[C@H](O)C(C)(C)C ZINC000304266247 176033407 /nfs/dbraw/zinc/03/34/07/176033407.db2.gz UVKRKVHWJLKAON-JQWIXIFHSA-N 0 3 241.400 3.148 20 0 BGADHN C[C@H](c1cccs1)N(C)C[C@H](O)C(C)(C)C ZINC000304266251 177048832 /nfs/dbraw/zinc/04/88/32/177048832.db2.gz UVKRKVHWJLKAON-PWSUYJOCSA-N 0 3 241.400 3.148 20 0 BGADHN C[C@H](c1cccs1)N(C)C[C@@H](O)C(C)(C)C ZINC000304266254 177048949 /nfs/dbraw/zinc/04/89/49/177048949.db2.gz UVKRKVHWJLKAON-ZYHUDNBSSA-N 0 3 241.400 3.148 20 0 BGADHN Cc1cc(CNCC(C(C)C)C(C)C)no1 ZINC000304318506 229346211 /nfs/dbraw/zinc/34/62/11/229346211.db2.gz BWRISBYYJNGRFN-UHFFFAOYSA-N 0 3 224.348 3.001 20 0 BGADHN C[C@H](N[C@@H]1CSC[C@H]1C)c1ccccc1F ZINC000304337239 387466114 /nfs/dbraw/zinc/46/61/14/387466114.db2.gz BCEHJHLYOKYWKE-GBIKHYSHSA-N 0 3 239.359 3.228 20 0 BGADHN C[C@H](N[C@H]1CSC[C@@H]1C)c1ccccc1F ZINC000304337244 387465667 /nfs/dbraw/zinc/46/56/67/387465667.db2.gz BCEHJHLYOKYWKE-KWBADKCTSA-N 0 3 239.359 3.228 20 0 BGADHN C[C@H](N[C@H]1CSC[C@H]1C)c1ccccc1F ZINC000304337247 387466906 /nfs/dbraw/zinc/46/69/06/387466906.db2.gz BCEHJHLYOKYWKE-NRUUGDAUSA-N 0 3 239.359 3.228 20 0 BGADHN C[C@H](N[C@@H]1CSC[C@@H]1C)c1ccccc1F ZINC000304337253 176905270 /nfs/dbraw/zinc/90/52/70/176905270.db2.gz BCEHJHLYOKYWKE-OUJBWJOFSA-N 0 3 239.359 3.228 20 0 BGADHN c1csc(CNC(C2CCC2)C2CCC2)n1 ZINC000304344633 386980323 /nfs/dbraw/zinc/98/03/23/386980323.db2.gz PHYYXUXUCSNUMU-UHFFFAOYSA-N 0 3 236.384 3.202 20 0 BGADHN Cc1noc(C)c1[C@@H](C)NCCCCCF ZINC000304348246 490289422 /nfs/dbraw/zinc/28/94/22/490289422.db2.gz GDUPAXQPXONGDL-SECBINFHSA-N 0 3 228.311 3.082 20 0 BGADHN Cc1noc(C)c1[C@H](C)NCCCCCF ZINC000304348249 490289324 /nfs/dbraw/zinc/28/93/24/490289324.db2.gz GDUPAXQPXONGDL-VIFPVBQESA-N 0 3 228.311 3.082 20 0 BGADHN Cc1cc(CN[C@@H](C)CCC(C)(C)C)on1 ZINC000304353861 178030092 /nfs/dbraw/zinc/03/00/92/178030092.db2.gz GZVKKWRDVSQFLW-JTQLQIEISA-N 0 3 224.348 3.287 20 0 BGADHN Cc1cc(CN[C@H](C)CCC(C)(C)C)on1 ZINC000304353865 178036888 /nfs/dbraw/zinc/03/68/88/178036888.db2.gz GZVKKWRDVSQFLW-SNVBAGLBSA-N 0 3 224.348 3.287 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CSC[C@H]2C)c(C)o1 ZINC000304377771 178256020 /nfs/dbraw/zinc/25/60/20/178256020.db2.gz GTQHWUBHOJMXJQ-DFAYQTQMSA-N 0 3 239.384 3.299 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2CSC[C@H]2C)c(C)o1 ZINC000304377775 178259703 /nfs/dbraw/zinc/25/97/03/178259703.db2.gz GTQHWUBHOJMXJQ-DVYJOKAKSA-N 0 3 239.384 3.299 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2CSC[C@@H]2C)c(C)o1 ZINC000304377779 178260186 /nfs/dbraw/zinc/26/01/86/178260186.db2.gz GTQHWUBHOJMXJQ-FWDPORAESA-N 0 3 239.384 3.299 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CSC[C@@H]2C)c(C)o1 ZINC000304377784 178255855 /nfs/dbraw/zinc/25/58/55/178255855.db2.gz GTQHWUBHOJMXJQ-GMOODISLSA-N 0 3 239.384 3.299 20 0 BGADHN Cc1cnc(CNCC(C(C)C)C(C)C)s1 ZINC000304384884 534555224 /nfs/dbraw/zinc/55/52/24/534555224.db2.gz LLIYJZYVBHVRQN-UHFFFAOYSA-N 0 3 240.416 3.469 20 0 BGADHN CC(C)CC[C@@H](NCc1cscn1)C1CC1 ZINC000304391406 166897126 /nfs/dbraw/zinc/89/71/26/166897126.db2.gz YSMZTXPUTQYOLD-CYBMUJFWSA-N 0 3 238.400 3.448 20 0 BGADHN CC(C)CC[C@H](NCc1cscn1)C1CC1 ZINC000304391408 357165857 /nfs/dbraw/zinc/16/58/57/357165857.db2.gz YSMZTXPUTQYOLD-ZDUSSCGKSA-N 0 3 238.400 3.448 20 0 BGADHN CC(C)CC[C@@H](NCc1nccs1)C1CC1 ZINC000304397564 387473748 /nfs/dbraw/zinc/47/37/48/387473748.db2.gz ZYJYQKVNRJLJMX-GFCCVEGCSA-N 0 3 238.400 3.448 20 0 BGADHN CC(C)CC[C@H](NCc1nccs1)C1CC1 ZINC000304397566 352730547 /nfs/dbraw/zinc/73/05/47/352730547.db2.gz ZYJYQKVNRJLJMX-LBPRGKRZSA-N 0 3 238.400 3.448 20 0 BGADHN Cc1cc(CNCC(C(C)C)C(C)C)on1 ZINC000304409919 229351021 /nfs/dbraw/zinc/35/10/21/229351021.db2.gz PNCDSUMRKCPNLP-UHFFFAOYSA-N 0 3 224.348 3.001 20 0 BGADHN Cc1cnc(CNCC(C(C)C)C(C)C)o1 ZINC000304454759 490366386 /nfs/dbraw/zinc/36/63/86/490366386.db2.gz YMSPJERTNLAHRW-UHFFFAOYSA-N 0 3 224.348 3.001 20 0 BGADHN C[C@H](CCC(C)(C)C)N[C@H](C)c1ncc[nH]1 ZINC000304458155 490366876 /nfs/dbraw/zinc/36/68/76/490366876.db2.gz ZJBRIJYYQFBRAE-GHMZBOCLSA-N 0 3 223.364 3.275 20 0 BGADHN C[C@H](CCC(C)(C)C)N[C@@H](C)c1ncc[nH]1 ZINC000304458156 490366885 /nfs/dbraw/zinc/36/68/85/490366885.db2.gz ZJBRIJYYQFBRAE-MNOVXSKESA-N 0 3 223.364 3.275 20 0 BGADHN C[C@@H](CCC(C)(C)C)N[C@@H](C)c1ncc[nH]1 ZINC000304458157 490366866 /nfs/dbraw/zinc/36/68/66/490366866.db2.gz ZJBRIJYYQFBRAE-QWRGUYRKSA-N 0 3 223.364 3.275 20 0 BGADHN C[C@@H](N[C@@H](C)CCC(C)(C)C)c1ncc[nH]1 ZINC000304458158 490365913 /nfs/dbraw/zinc/36/59/13/490365913.db2.gz ZJBRIJYYQFBRAE-WDEREUQCSA-N 0 3 223.364 3.275 20 0 BGADHN Cc1csc([C@@H](C)N[C@H]2CCC[C@H]3C[C@H]32)n1 ZINC000304591114 487511598 /nfs/dbraw/zinc/51/15/98/487511598.db2.gz PIIYIOFDEVWRNE-KXNHARMFSA-N 0 3 236.384 3.291 20 0 BGADHN Cc1csc([C@H](C)N[C@@H]2CCC[C@H]3C[C@H]32)n1 ZINC000304591115 342902596 /nfs/dbraw/zinc/90/25/96/342902596.db2.gz PIIYIOFDEVWRNE-NNYUYHANSA-N 0 3 236.384 3.291 20 0 BGADHN Cc1csc([C@H](C)N[C@@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC000304591116 342902735 /nfs/dbraw/zinc/90/27/35/342902735.db2.gz PIIYIOFDEVWRNE-WHOHXGKFSA-N 0 3 236.384 3.291 20 0 BGADHN Cc1csc([C@@H](C)N[C@@H]2CCC[C@H]3C[C@H]32)n1 ZINC000304591117 487511305 /nfs/dbraw/zinc/51/13/05/487511305.db2.gz PIIYIOFDEVWRNE-WRWGMCAJSA-N 0 3 236.384 3.291 20 0 BGADHN Cc1csc([C@H](C)N[C@H]2CCC[C@H]3C[C@H]32)n1 ZINC000304591121 487511328 /nfs/dbraw/zinc/51/13/28/487511328.db2.gz PIIYIOFDEVWRNE-YFKTTZPYSA-N 0 3 236.384 3.291 20 0 BGADHN C[C@@H](NCc1ccccc1CO)c1cccs1 ZINC000305119477 323167766 /nfs/dbraw/zinc/16/77/66/323167766.db2.gz JCHISFIUIBKMMX-LLVKDONJSA-N 0 3 247.363 3.091 20 0 BGADHN C[C@H](NCc1ccccc1CO)c1cccs1 ZINC000305119479 323167768 /nfs/dbraw/zinc/16/77/68/323167768.db2.gz JCHISFIUIBKMMX-NSHDSACASA-N 0 3 247.363 3.091 20 0 BGADHN CC[C@H](C)[C@@](C)(O)CN[C@@H](C)c1ccc(C)o1 ZINC000305140324 171382880 /nfs/dbraw/zinc/38/28/80/171382880.db2.gz PXYLBXPVBCVUMY-JKOKRWQUSA-N 0 3 239.359 3.036 20 0 BGADHN CC[C@H](C)[C@@](C)(O)CN[C@H](C)c1ccc(C)o1 ZINC000305140326 171382630 /nfs/dbraw/zinc/38/26/30/171382630.db2.gz PXYLBXPVBCVUMY-SUHUHFCYSA-N 0 3 239.359 3.036 20 0 BGADHN CC[C@H](C)[C@](C)(O)CN[C@@H](C)c1ccc(C)o1 ZINC000305140328 387563305 /nfs/dbraw/zinc/56/33/05/387563305.db2.gz PXYLBXPVBCVUMY-VHRBIJSZSA-N 0 3 239.359 3.036 20 0 BGADHN CC[C@H](C)[C@](C)(O)CN[C@H](C)c1ccc(C)o1 ZINC000305140329 387562968 /nfs/dbraw/zinc/56/29/68/387562968.db2.gz PXYLBXPVBCVUMY-ZKYQVNSYSA-N 0 3 239.359 3.036 20 0 BGADHN Cc1cc(CNCC2CCCCCCC2)no1 ZINC000305147481 712840240 /nfs/dbraw/zinc/84/02/40/712840240.db2.gz LIZINUCVZKHQCB-UHFFFAOYSA-N 0 3 236.359 3.433 20 0 BGADHN CCc1ccc(NC2CCN(C)CC2)cc1C ZINC000305468326 529687733 /nfs/dbraw/zinc/68/77/33/529687733.db2.gz YPCLOOAREGIFIG-UHFFFAOYSA-N 0 3 232.371 3.064 20 0 BGADHN CCCC[C@H](N)C(=O)Nc1ccc(C)c(CC)c1 ZINC000305503773 169007740 /nfs/dbraw/zinc/00/77/40/169007740.db2.gz OVKHHTPOBGYUBL-AWEZNQCLSA-N 0 3 248.370 3.013 20 0 BGADHN Cc1ccc(CNC(C)(C)c2ccccc2)cn1 ZINC000305593525 387614692 /nfs/dbraw/zinc/61/46/92/387614692.db2.gz NGOQNXUICOAIDY-UHFFFAOYSA-N 0 3 240.350 3.415 20 0 BGADHN CC(C)[C@H](NC[C@@H](C)O)c1cc2ccccc2o1 ZINC000305769499 387651112 /nfs/dbraw/zinc/65/11/12/387651112.db2.gz GOLRVABDSOUBFP-ABAIWWIYSA-N 0 3 247.338 3.100 20 0 BGADHN CC(C)[C@@H](NC[C@@H](C)O)c1cc2ccccc2o1 ZINC000305769500 387650176 /nfs/dbraw/zinc/65/01/76/387650176.db2.gz GOLRVABDSOUBFP-IAQYHMDHSA-N 0 3 247.338 3.100 20 0 BGADHN CC(C)[C@H](NC[C@H](C)O)c1cc2ccccc2o1 ZINC000305769501 187388619 /nfs/dbraw/zinc/38/86/19/187388619.db2.gz GOLRVABDSOUBFP-NHYWBVRUSA-N 0 3 247.338 3.100 20 0 BGADHN CC(C)[C@@H](NC[C@H](C)O)c1cc2ccccc2o1 ZINC000305769502 387650890 /nfs/dbraw/zinc/65/08/90/387650890.db2.gz GOLRVABDSOUBFP-XHDPSFHLSA-N 0 3 247.338 3.100 20 0 BGADHN CC(C)[C@H](N[C@H](C)CO)c1cc2ccccc2o1 ZINC000305805263 387657746 /nfs/dbraw/zinc/65/77/46/387657746.db2.gz YXKVIHDTNRCZLC-ABAIWWIYSA-N 0 3 247.338 3.100 20 0 BGADHN CC(C)[C@@H](N[C@H](C)CO)c1cc2ccccc2o1 ZINC000305805265 387658031 /nfs/dbraw/zinc/65/80/31/387658031.db2.gz YXKVIHDTNRCZLC-IAQYHMDHSA-N 0 3 247.338 3.100 20 0 BGADHN CC(C)(C)[C@@H](NCCO)c1cc2ccccc2o1 ZINC000305848498 387663466 /nfs/dbraw/zinc/66/34/66/387663466.db2.gz UBPBJROLYFUWBJ-AWEZNQCLSA-N 0 3 247.338 3.102 20 0 BGADHN CC(C)(C)[C@H](NCCO)c1cc2ccccc2o1 ZINC000305848499 187564032 /nfs/dbraw/zinc/56/40/32/187564032.db2.gz UBPBJROLYFUWBJ-CQSZACIVSA-N 0 3 247.338 3.102 20 0 BGADHN CCCC[C@@H](C)C(=O)Nc1ccccc1CNC ZINC000306038050 344960485 /nfs/dbraw/zinc/96/04/85/344960485.db2.gz RHKUFOIDHIAIAS-GFCCVEGCSA-N 0 3 248.370 3.171 20 0 BGADHN CCCC[C@H](C)C(=O)Nc1ccccc1CNC ZINC000306038051 344960293 /nfs/dbraw/zinc/96/02/93/344960293.db2.gz RHKUFOIDHIAIAS-LBPRGKRZSA-N 0 3 248.370 3.171 20 0 BGADHN Fc1ccc(CN[C@H]2CCC[C@H]3C[C@H]32)c(F)c1 ZINC000306075314 343980488 /nfs/dbraw/zinc/98/04/88/343980488.db2.gz FTHKDOBSASQKHC-BHYNMZESSA-N 0 3 237.293 3.243 20 0 BGADHN Fc1ccc(CN[C@@H]2CCC[C@H]3C[C@H]32)c(F)c1 ZINC000306075315 343980353 /nfs/dbraw/zinc/98/03/53/343980353.db2.gz FTHKDOBSASQKHC-MRCXROJRSA-N 0 3 237.293 3.243 20 0 BGADHN CC(C)(C)NCc1ccsc1Cl ZINC000306147674 384680661 /nfs/dbraw/zinc/68/06/61/384680661.db2.gz ANGZCTFFZRVQSM-UHFFFAOYSA-N 0 3 203.738 3.290 20 0 BGADHN C[C@@H]1CC[C@@H]1NCc1sccc1Cl ZINC000306176648 176217787 /nfs/dbraw/zinc/21/77/87/176217787.db2.gz WRYXTRFJSJDEMM-APPZFPTMSA-N 0 3 215.749 3.290 20 0 BGADHN C[C@H]1CC[C@@H]1NCc1sccc1Cl ZINC000306176650 177195857 /nfs/dbraw/zinc/19/58/57/177195857.db2.gz WRYXTRFJSJDEMM-CBAPKCEASA-N 0 3 215.749 3.290 20 0 BGADHN C[C@H]1CC[C@H]1NCc1sccc1Cl ZINC000306176651 177207528 /nfs/dbraw/zinc/20/75/28/177207528.db2.gz WRYXTRFJSJDEMM-IONNQARKSA-N 0 3 215.749 3.290 20 0 BGADHN C[C@@H]1CC[C@H]1NCc1sccc1Cl ZINC000306176653 176237345 /nfs/dbraw/zinc/23/73/45/176237345.db2.gz WRYXTRFJSJDEMM-VXNVDRBHSA-N 0 3 215.749 3.290 20 0 BGADHN CC1(C)SC[C@H]1NCc1cc(Cl)cs1 ZINC000306194979 384777908 /nfs/dbraw/zinc/77/79/08/384777908.db2.gz UXSMQIHTSBIWJI-SECBINFHSA-N 0 3 247.816 3.385 20 0 BGADHN CC1(C)SC[C@@H]1NCc1cc(Cl)cs1 ZINC000306194980 384777657 /nfs/dbraw/zinc/77/76/57/384777657.db2.gz UXSMQIHTSBIWJI-VIFPVBQESA-N 0 3 247.816 3.385 20 0 BGADHN Clc1ccsc1CNC1CC=CC1 ZINC000306195010 490630232 /nfs/dbraw/zinc/63/02/32/490630232.db2.gz XKDSSIMSDSFFAN-UHFFFAOYSA-N 0 3 213.733 3.210 20 0 BGADHN C[C@@H](N[C@@H]1CCC[C@@H]1F)c1cccs1 ZINC000306234485 344083675 /nfs/dbraw/zinc/08/36/75/344083675.db2.gz FDDPYPIMIXAMMQ-KXUCPTDWSA-N 0 3 213.321 3.289 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@@H]1F)c1cccs1 ZINC000306234488 384811784 /nfs/dbraw/zinc/81/17/84/384811784.db2.gz FDDPYPIMIXAMMQ-LPEHRKFASA-N 0 3 213.321 3.289 20 0 BGADHN C[C@H]1SCC[C@@H]1NCc1ccsc1Cl ZINC000306251122 359456508 /nfs/dbraw/zinc/45/65/08/359456508.db2.gz ZIJNABWKEYYJHA-APPZFPTMSA-N 0 3 247.816 3.385 20 0 BGADHN C[C@@H]1SCC[C@@H]1NCc1ccsc1Cl ZINC000306251123 353000464 /nfs/dbraw/zinc/00/04/64/353000464.db2.gz ZIJNABWKEYYJHA-CBAPKCEASA-N 0 3 247.816 3.385 20 0 BGADHN C[C@@H]1SCC[C@H]1NCc1ccsc1Cl ZINC000306251124 359456240 /nfs/dbraw/zinc/45/62/40/359456240.db2.gz ZIJNABWKEYYJHA-IONNQARKSA-N 0 3 247.816 3.385 20 0 BGADHN C[C@H]1SCC[C@H]1NCc1ccsc1Cl ZINC000306251125 359456411 /nfs/dbraw/zinc/45/64/11/359456411.db2.gz ZIJNABWKEYYJHA-VXNVDRBHSA-N 0 3 247.816 3.385 20 0 BGADHN CC1(C)CC[C@H]1NC/C(Cl)=C/Cl ZINC000306251858 635961158 /nfs/dbraw/zinc/96/11/58/635961158.db2.gz LPIRABIUNIREPH-GRKOMRHMSA-N 0 3 208.132 3.084 20 0 BGADHN CC1(C)CC[C@@H]1NC/C(Cl)=C/Cl ZINC000306251860 635961084 /nfs/dbraw/zinc/96/10/84/635961084.db2.gz LPIRABIUNIREPH-TVSKSKRASA-N 0 3 208.132 3.084 20 0 BGADHN Cc1cc([C@@H](C)NC2CSC2)c(C)s1 ZINC000306263953 490633581 /nfs/dbraw/zinc/63/35/81/490633581.db2.gz NVCPLOLGQRUIDL-MRVPVSSYSA-N 0 3 227.398 3.131 20 0 BGADHN Cc1cc([C@H](C)NC2CSC2)c(C)s1 ZINC000306263954 490632513 /nfs/dbraw/zinc/63/25/13/490632513.db2.gz NVCPLOLGQRUIDL-QMMMGPOBSA-N 0 3 227.398 3.131 20 0 BGADHN Clc1cscc1CN[C@@H]1CCCSC1 ZINC000306269499 490339687 /nfs/dbraw/zinc/33/96/87/490339687.db2.gz LYJBJRLERDOYBZ-SECBINFHSA-N 0 3 247.816 3.387 20 0 BGADHN Clc1cscc1CN[C@H]1CCCSC1 ZINC000306269501 490339647 /nfs/dbraw/zinc/33/96/47/490339647.db2.gz LYJBJRLERDOYBZ-VIFPVBQESA-N 0 3 247.816 3.387 20 0 BGADHN CC1(C)C[C@H]1NCc1cscc1Cl ZINC000306271211 490339865 /nfs/dbraw/zinc/33/98/65/490339865.db2.gz VKHJSJMESWQBLW-SECBINFHSA-N 0 3 215.749 3.290 20 0 BGADHN CC1(C)C[C@@H]1NCc1cscc1Cl ZINC000306271212 487607212 /nfs/dbraw/zinc/60/72/12/487607212.db2.gz VKHJSJMESWQBLW-VIFPVBQESA-N 0 3 215.749 3.290 20 0 BGADHN CCNCc1ccc(F)c(Cl)c1Cl ZINC000306290368 170126952 /nfs/dbraw/zinc/12/69/52/170126952.db2.gz QEXZQVXMYRNPMG-UHFFFAOYSA-N 0 3 222.090 3.242 20 0 BGADHN C[C@H]1CCC[C@H](C)C1NCC(C)(F)F ZINC000306350118 359670622 /nfs/dbraw/zinc/67/06/22/359670622.db2.gz VIZLCHNGCHPOLB-IUCAKERBSA-N 0 3 205.292 3.056 20 0 BGADHN C[C@@H]1CCC[C@H](C)[C@H]1NCC(C)(F)F ZINC000306350119 359670612 /nfs/dbraw/zinc/67/06/12/359670612.db2.gz VIZLCHNGCHPOLB-MYJAWHEDSA-N 0 3 205.292 3.056 20 0 BGADHN C[C@@H]1CCC[C@@H](C)C1NCC(C)(F)F ZINC000306350120 359670754 /nfs/dbraw/zinc/67/07/54/359670754.db2.gz VIZLCHNGCHPOLB-RKDXNWHRSA-N 0 3 205.292 3.056 20 0 BGADHN CC1CC(NCc2ccsc2Cl)C1 ZINC000306355390 168147544 /nfs/dbraw/zinc/14/75/44/168147544.db2.gz JJDXGNPYYQPOBM-UHFFFAOYSA-N 0 3 215.749 3.290 20 0 BGADHN Fc1ccc(CNC2CC2)c(Cl)c1Cl ZINC000306355848 384888128 /nfs/dbraw/zinc/88/81/28/384888128.db2.gz SFAUJNJNIYAIFE-UHFFFAOYSA-N 0 3 234.101 3.385 20 0 BGADHN C[C@@H]1C[C@H](NCc2ccsc2Cl)CS1 ZINC000306377679 533958198 /nfs/dbraw/zinc/95/81/98/533958198.db2.gz OKMZLLPFMRRYJK-APPZFPTMSA-N 0 3 247.816 3.385 20 0 BGADHN C[C@H]1C[C@H](NCc2ccsc2Cl)CS1 ZINC000306377680 229393597 /nfs/dbraw/zinc/39/35/97/229393597.db2.gz OKMZLLPFMRRYJK-CBAPKCEASA-N 0 3 247.816 3.385 20 0 BGADHN C[C@H]1C[C@@H](NCc2ccsc2Cl)CS1 ZINC000306377681 229393535 /nfs/dbraw/zinc/39/35/35/229393535.db2.gz OKMZLLPFMRRYJK-IONNQARKSA-N 0 3 247.816 3.385 20 0 BGADHN C[C@@H]1C[C@@H](NCc2ccsc2Cl)CS1 ZINC000306377682 533651790 /nfs/dbraw/zinc/65/17/90/533651790.db2.gz OKMZLLPFMRRYJK-VXNVDRBHSA-N 0 3 247.816 3.385 20 0 BGADHN CC1(C)CC[C@H]1NCc1ccc(Cl)o1 ZINC000306379988 384913205 /nfs/dbraw/zinc/91/32/05/384913205.db2.gz QFNHKRRDXBXTSN-SECBINFHSA-N 0 3 213.708 3.211 20 0 BGADHN CC1(C)CC[C@@H]1NCc1ccc(Cl)o1 ZINC000306379989 345196538 /nfs/dbraw/zinc/19/65/38/345196538.db2.gz QFNHKRRDXBXTSN-VIFPVBQESA-N 0 3 213.708 3.211 20 0 BGADHN Cc1sccc1CNCc1ccccc1 ZINC000306403465 384923518 /nfs/dbraw/zinc/92/35/18/384923518.db2.gz SKEGDBGELSJUOW-UHFFFAOYSA-N 0 3 217.337 3.346 20 0 BGADHN CC(C)(CNCc1ccccc1)C(F)(F)F ZINC000306432594 487609425 /nfs/dbraw/zinc/60/94/25/487609425.db2.gz UABSCVZLPACGHD-UHFFFAOYSA-N 0 3 231.261 3.365 20 0 BGADHN C[C@@H]1C[C@@H](NCc2ccc(Cl)o2)[C@H]1C ZINC000306474079 411448211 /nfs/dbraw/zinc/44/82/11/411448211.db2.gz VNGSHDPQHHVDOY-KHQFGBGNSA-N 0 3 213.708 3.067 20 0 BGADHN C[C@@H]1C[C@H](NCc2ccc(Cl)o2)[C@@H]1C ZINC000306474080 411448135 /nfs/dbraw/zinc/44/81/35/411448135.db2.gz VNGSHDPQHHVDOY-MRTMQBJTSA-N 0 3 213.708 3.067 20 0 BGADHN C[C@@H]1C[C@@H](NCc2ccc(Cl)o2)[C@@H]1C ZINC000306474081 411448238 /nfs/dbraw/zinc/44/82/38/411448238.db2.gz VNGSHDPQHHVDOY-NQMVMOMDSA-N 0 3 213.708 3.067 20 0 BGADHN C[C@@H]1C[C@H](NCc2ccc(Cl)o2)[C@H]1C ZINC000306474082 411448523 /nfs/dbraw/zinc/44/85/23/411448523.db2.gz VNGSHDPQHHVDOY-WEDXCCLWSA-N 0 3 213.708 3.067 20 0 BGADHN Clc1sccc1CNC1CC=CC1 ZINC000306474373 360111484 /nfs/dbraw/zinc/11/14/84/360111484.db2.gz VTDAOIBMJRCSRB-UHFFFAOYSA-N 0 3 213.733 3.210 20 0 BGADHN CSc1ccc(CN2CCCC2)s1 ZINC000306477063 387691862 /nfs/dbraw/zinc/69/18/62/387691862.db2.gz ZXRFSBDLZRLFTM-UHFFFAOYSA-N 0 3 213.371 3.066 20 0 BGADHN Cc1sccc1CN[C@@H]1CCC[C@@H]1F ZINC000306486181 384985835 /nfs/dbraw/zinc/98/58/35/384985835.db2.gz IUXBMXONGMRXAS-WDEREUQCSA-N 0 3 213.321 3.037 20 0 BGADHN C[C@@H]1CCCCN1C[C@@H]1CC1(Cl)Cl ZINC000306493011 387217437 /nfs/dbraw/zinc/21/74/37/387217437.db2.gz YKYZXMWGMBKUSN-BDAKNGLRSA-N 0 3 222.159 3.055 20 0 BGADHN C[C@H]1CCCCN1C[C@H]1CC1(Cl)Cl ZINC000306493012 387217827 /nfs/dbraw/zinc/21/78/27/387217827.db2.gz YKYZXMWGMBKUSN-DTWKUNHWSA-N 0 3 222.159 3.055 20 0 BGADHN C[C@H]1CCCCN1C[C@@H]1CC1(Cl)Cl ZINC000306493013 387216932 /nfs/dbraw/zinc/21/69/32/387216932.db2.gz YKYZXMWGMBKUSN-IUCAKERBSA-N 0 3 222.159 3.055 20 0 BGADHN C[C@@H]1CCCCN1C[C@H]1CC1(Cl)Cl ZINC000306493014 387217568 /nfs/dbraw/zinc/21/75/68/387217568.db2.gz YKYZXMWGMBKUSN-RKDXNWHRSA-N 0 3 222.159 3.055 20 0 BGADHN BrC1=CCCN(CC2CCCC2)C1 ZINC000306496354 635968749 /nfs/dbraw/zinc/96/87/49/635968749.db2.gz XLRJHQXWTDZFSC-UHFFFAOYSA-N 0 3 244.176 3.161 20 0 BGADHN CC1(C)SC[C@H]1NCc1sccc1Cl ZINC000306497199 535016012 /nfs/dbraw/zinc/01/60/12/535016012.db2.gz RKAXPANAOACBOD-SECBINFHSA-N 0 3 247.816 3.385 20 0 BGADHN CC1(C)SC[C@@H]1NCc1sccc1Cl ZINC000306497201 385026336 /nfs/dbraw/zinc/02/63/36/385026336.db2.gz RKAXPANAOACBOD-VIFPVBQESA-N 0 3 247.816 3.385 20 0 BGADHN F[C@@H]1CC[C@@H](NCc2sccc2Cl)C1 ZINC000306503709 385035986 /nfs/dbraw/zinc/03/59/86/385035986.db2.gz QEKAOFDBYYSXTR-HTQZYQBOSA-N 0 3 233.739 3.382 20 0 BGADHN F[C@H]1CC[C@@H](NCc2sccc2Cl)C1 ZINC000306503710 385036211 /nfs/dbraw/zinc/03/62/11/385036211.db2.gz QEKAOFDBYYSXTR-JGVFFNPUSA-N 0 3 233.739 3.382 20 0 BGADHN F[C@@H]1CC[C@H](NCc2sccc2Cl)C1 ZINC000306503711 385037706 /nfs/dbraw/zinc/03/77/06/385037706.db2.gz QEKAOFDBYYSXTR-SFYZADRCSA-N 0 3 233.739 3.382 20 0 BGADHN F[C@H]1CC[C@H](NCc2sccc2Cl)C1 ZINC000306503712 385037610 /nfs/dbraw/zinc/03/76/10/385037610.db2.gz QEKAOFDBYYSXTR-YUMQZZPRSA-N 0 3 233.739 3.382 20 0 BGADHN CC1(C)SC[C@H]1NCc1ccc(Cl)s1 ZINC000306505027 385036487 /nfs/dbraw/zinc/03/64/87/385036487.db2.gz SDVZEPRDYMBXRI-MRVPVSSYSA-N 0 3 247.816 3.385 20 0 BGADHN CC1(C)SC[C@@H]1NCc1ccc(Cl)s1 ZINC000306505029 187297298 /nfs/dbraw/zinc/29/72/98/187297298.db2.gz SDVZEPRDYMBXRI-QMMMGPOBSA-N 0 3 247.816 3.385 20 0 BGADHN Clc1ccc(CN[C@H]2[C@@H]3CCC[C@@H]32)s1 ZINC000306508732 353020468 /nfs/dbraw/zinc/02/04/68/353020468.db2.gz IRPGQWYZUXIOLG-JZYVYDRUSA-N 0 3 227.760 3.290 20 0 BGADHN Clc1sccc1CN[C@@H]1CCCSC1 ZINC000306535308 385067257 /nfs/dbraw/zinc/06/72/57/385067257.db2.gz JMEOWJMRWXYZLY-SECBINFHSA-N 0 3 247.816 3.387 20 0 BGADHN Clc1sccc1CN[C@H]1CCCSC1 ZINC000306535309 385067935 /nfs/dbraw/zinc/06/79/35/385067935.db2.gz JMEOWJMRWXYZLY-VIFPVBQESA-N 0 3 247.816 3.387 20 0 BGADHN Clc1cscc1CN[C@H]1[C@@H]2CCC[C@@H]21 ZINC000306539356 487610518 /nfs/dbraw/zinc/61/05/18/487610518.db2.gz NBYFUUYMHJDACQ-JZYVYDRUSA-N 0 3 227.760 3.290 20 0 BGADHN Clc1sccc1CN[C@H]1[C@@H]2CCC[C@@H]21 ZINC000306543662 360412891 /nfs/dbraw/zinc/41/28/91/360412891.db2.gz STJJOZPNBCQICL-MYJAWHEDSA-N 0 3 227.760 3.290 20 0 BGADHN c1cc(CN[C@@H]2CC23CCCC3)cs1 ZINC000306545588 183351254 /nfs/dbraw/zinc/35/12/54/183351254.db2.gz CTJTXHKKFFFOQZ-LLVKDONJSA-N 0 3 207.342 3.170 20 0 BGADHN c1cc(CN[C@H]2CC23CCCC3)cs1 ZINC000306545596 183353999 /nfs/dbraw/zinc/35/39/99/183353999.db2.gz CTJTXHKKFFFOQZ-NSHDSACASA-N 0 3 207.342 3.170 20 0 BGADHN FC1(F)CC[C@@H](NCc2ccsc2)C1 ZINC000306554028 490642030 /nfs/dbraw/zinc/64/20/30/490642030.db2.gz JUDAMIDHOIGRDG-SECBINFHSA-N 0 3 217.284 3.026 20 0 BGADHN FC1(F)CC[C@H](NCc2ccsc2)C1 ZINC000306554029 490642169 /nfs/dbraw/zinc/64/21/69/490642169.db2.gz JUDAMIDHOIGRDG-VIFPVBQESA-N 0 3 217.284 3.026 20 0 BGADHN Cc1cc(CN[C@H]2CS[C@@H](C)C2)cs1 ZINC000306567584 178041613 /nfs/dbraw/zinc/04/16/13/178041613.db2.gz SPQHFYONZDCRBP-GXSJLCMTSA-N 0 3 227.398 3.040 20 0 BGADHN Cc1cc(CN[C@@H]2CS[C@H](C)C2)cs1 ZINC000306567585 178035776 /nfs/dbraw/zinc/03/57/76/178035776.db2.gz SPQHFYONZDCRBP-KOLCDFICSA-N 0 3 227.398 3.040 20 0 BGADHN Cc1cc(CN[C@H]2CS[C@H](C)C2)cs1 ZINC000306567587 178041025 /nfs/dbraw/zinc/04/10/25/178041025.db2.gz SPQHFYONZDCRBP-MWLCHTKSSA-N 0 3 227.398 3.040 20 0 BGADHN Cc1cc(CN[C@@H]2CS[C@@H](C)C2)cs1 ZINC000306567589 178035066 /nfs/dbraw/zinc/03/50/66/178035066.db2.gz SPQHFYONZDCRBP-ONGXEEELSA-N 0 3 227.398 3.040 20 0 BGADHN C[C@@H]1CCN(Cc2cc(Cl)cs2)C1 ZINC000306595531 176173725 /nfs/dbraw/zinc/17/37/25/176173725.db2.gz UHPZWJNYAPISGY-MRVPVSSYSA-N 0 3 215.749 3.243 20 0 BGADHN C[C@H]1CCN(Cc2cc(Cl)cs2)C1 ZINC000306595533 177163642 /nfs/dbraw/zinc/16/36/42/177163642.db2.gz UHPZWJNYAPISGY-QMMMGPOBSA-N 0 3 215.749 3.243 20 0 BGADHN CC1(NCc2ccsc2Cl)CCC1 ZINC000306619802 535188307 /nfs/dbraw/zinc/18/83/07/535188307.db2.gz VVXWUGYABPBPBS-UHFFFAOYSA-N 0 3 215.749 3.434 20 0 BGADHN c1ccc(CN2CCOCC23CCCCC3)cc1 ZINC000306637787 384792005 /nfs/dbraw/zinc/79/20/05/384792005.db2.gz BXBDVTOSLRKKBF-UHFFFAOYSA-N 0 3 245.366 3.222 20 0 BGADHN Clc1sccc1CNC1CCCC1 ZINC000306686222 387705659 /nfs/dbraw/zinc/70/56/59/387705659.db2.gz FXRFKSANFYRKAO-UHFFFAOYSA-N 0 3 215.749 3.434 20 0 BGADHN C[C@@H]1CSC[C@@H]1NCc1ccsc1Cl ZINC000306712622 176353646 /nfs/dbraw/zinc/35/36/46/176353646.db2.gz OTSYONSDYPBGCZ-APPZFPTMSA-N 0 3 247.816 3.243 20 0 BGADHN C[C@H]1CSC[C@@H]1NCc1ccsc1Cl ZINC000306712628 177306212 /nfs/dbraw/zinc/30/62/12/177306212.db2.gz OTSYONSDYPBGCZ-CBAPKCEASA-N 0 3 247.816 3.243 20 0 BGADHN C[C@H]1CSC[C@H]1NCc1ccsc1Cl ZINC000306712634 177306972 /nfs/dbraw/zinc/30/69/72/177306972.db2.gz OTSYONSDYPBGCZ-IONNQARKSA-N 0 3 247.816 3.243 20 0 BGADHN C[C@@H]1CSC[C@H]1NCc1ccsc1Cl ZINC000306712635 176355823 /nfs/dbraw/zinc/35/58/23/176355823.db2.gz OTSYONSDYPBGCZ-VXNVDRBHSA-N 0 3 247.816 3.243 20 0 BGADHN CC(C)(C)NCc1ccsc1Br ZINC000306717850 323173014 /nfs/dbraw/zinc/17/30/14/323173014.db2.gz HZLJXIDPCYJEDB-UHFFFAOYSA-N 0 3 248.189 3.399 20 0 BGADHN CC1(C)CC(NCc2ccc(Cl)o2)C1 ZINC000306759552 326103555 /nfs/dbraw/zinc/10/35/55/326103555.db2.gz PLROFMDESYJIOD-UHFFFAOYSA-N 0 3 213.708 3.211 20 0 BGADHN CCN(C)Cc1cc(Cl)cc(Cl)c1N ZINC000306770406 384677554 /nfs/dbraw/zinc/67/75/54/384677554.db2.gz QNJPTHQIRWXMGV-UHFFFAOYSA-N 0 3 233.142 3.027 20 0 BGADHN CC1(C)C[C@H]1NCc1ccsc1Cl ZINC000306778939 398325716 /nfs/dbraw/zinc/32/57/16/398325716.db2.gz SPWSYXDLNNHBLT-MRVPVSSYSA-N 0 3 215.749 3.290 20 0 BGADHN CC1(C)C[C@@H]1NCc1ccsc1Cl ZINC000306778940 385193202 /nfs/dbraw/zinc/19/32/02/385193202.db2.gz SPWSYXDLNNHBLT-QMMMGPOBSA-N 0 3 215.749 3.290 20 0 BGADHN Cc1ccsc1CN[C@H]1CCC[C@H]1F ZINC000306780566 411459536 /nfs/dbraw/zinc/45/95/36/411459536.db2.gz IYPAMJVJFWYBDR-ZJUUUORDSA-N 0 3 213.321 3.037 20 0 BGADHN C[C@H](N[C@H]1CCC[C@H]1F)c1cccs1 ZINC000306781447 385199257 /nfs/dbraw/zinc/19/92/57/385199257.db2.gz FDDPYPIMIXAMMQ-AEJSXWLSSA-N 0 3 213.321 3.289 20 0 BGADHN C[C@@H](N[C@H]1CCC[C@H]1F)c1cccs1 ZINC000306781450 323032057 /nfs/dbraw/zinc/03/20/57/323032057.db2.gz FDDPYPIMIXAMMQ-BBBLOLIVSA-N 0 3 213.321 3.289 20 0 BGADHN Cc1cc(CN(C)C2CCC2)cc(Cl)n1 ZINC000306822366 643255499 /nfs/dbraw/zinc/25/54/99/643255499.db2.gz NFQRGNDQXXWLFA-UHFFFAOYSA-N 0 3 224.735 3.028 20 0 BGADHN C[C@H](N[C@H]1CCC[C@H]1F)c1ccsc1 ZINC000306844778 398340456 /nfs/dbraw/zinc/34/04/56/398340456.db2.gz HSLBOXNYGAMPAF-GDPRMGEGSA-N 0 3 213.321 3.289 20 0 BGADHN C[C@@H](N[C@H]1CCC[C@H]1F)c1ccsc1 ZINC000306844780 344452410 /nfs/dbraw/zinc/45/24/10/344452410.db2.gz HSLBOXNYGAMPAF-IEBDPFPHSA-N 0 3 213.321 3.289 20 0 BGADHN C[C@@H]1CSC[C@@H]1NCc1ccc(Cl)s1 ZINC000306871267 176353622 /nfs/dbraw/zinc/35/36/22/176353622.db2.gz WWDAJPIUDSNCBP-APPZFPTMSA-N 0 3 247.816 3.243 20 0 BGADHN C[C@H]1CSC[C@@H]1NCc1ccc(Cl)s1 ZINC000306871268 177306263 /nfs/dbraw/zinc/30/62/63/177306263.db2.gz WWDAJPIUDSNCBP-CBAPKCEASA-N 0 3 247.816 3.243 20 0 BGADHN C[C@H]1CSC[C@H]1NCc1ccc(Cl)s1 ZINC000306871269 177306967 /nfs/dbraw/zinc/30/69/67/177306967.db2.gz WWDAJPIUDSNCBP-IONNQARKSA-N 0 3 247.816 3.243 20 0 BGADHN C[C@@H]1CSC[C@H]1NCc1ccc(Cl)s1 ZINC000306871270 176356257 /nfs/dbraw/zinc/35/62/57/176356257.db2.gz WWDAJPIUDSNCBP-VXNVDRBHSA-N 0 3 247.816 3.243 20 0 BGADHN FC1(F)C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000306924055 351342648 /nfs/dbraw/zinc/34/26/48/351342648.db2.gz HZAAZMLKMGQRLD-BETUJISGSA-N 0 3 237.293 3.449 20 0 BGADHN C[C@@H]1CC[C@H]1NCc1cscc1Cl ZINC000306978602 490650947 /nfs/dbraw/zinc/65/09/47/490650947.db2.gz DAWFOYASLFFRDP-GMSGAONNSA-N 0 3 215.749 3.290 20 0 BGADHN C[C@H]1CC[C@H]1NCc1cscc1Cl ZINC000306978605 490650904 /nfs/dbraw/zinc/65/09/04/490650904.db2.gz DAWFOYASLFFRDP-OIBJUYFYSA-N 0 3 215.749 3.290 20 0 BGADHN C[C@@H]1CC[C@@H]1NCc1cscc1Cl ZINC000306978608 490650883 /nfs/dbraw/zinc/65/08/83/490650883.db2.gz DAWFOYASLFFRDP-XCBNKYQSSA-N 0 3 215.749 3.290 20 0 BGADHN C[C@H]1CC[C@@H]1NCc1cscc1Cl ZINC000306978612 490650330 /nfs/dbraw/zinc/65/03/30/490650330.db2.gz DAWFOYASLFFRDP-XVKPBYJWSA-N 0 3 215.749 3.290 20 0 BGADHN Cc1cc(CN[C@@H]2C=CCCC2)cs1 ZINC000306982175 259311060 /nfs/dbraw/zinc/31/10/60/259311060.db2.gz RBQDIJPDOLFVHK-GFCCVEGCSA-N 0 3 207.342 3.255 20 0 BGADHN Cc1cc(CN[C@H]2C=CCCC2)cs1 ZINC000306982176 259310751 /nfs/dbraw/zinc/31/07/51/259310751.db2.gz RBQDIJPDOLFVHK-LBPRGKRZSA-N 0 3 207.342 3.255 20 0 BGADHN C[C@@H]1C[C@@H](NCc2sccc2Cl)CS1 ZINC000307016490 533655828 /nfs/dbraw/zinc/65/58/28/533655828.db2.gz RJCNUSBTLAFAAC-HTQZYQBOSA-N 0 3 247.816 3.385 20 0 BGADHN C[C@H]1C[C@@H](NCc2sccc2Cl)CS1 ZINC000307016491 229399336 /nfs/dbraw/zinc/39/93/36/229399336.db2.gz RJCNUSBTLAFAAC-JGVFFNPUSA-N 0 3 247.816 3.385 20 0 BGADHN C[C@@H]1C[C@H](NCc2sccc2Cl)CS1 ZINC000307016492 533959809 /nfs/dbraw/zinc/95/98/09/533959809.db2.gz RJCNUSBTLAFAAC-SFYZADRCSA-N 0 3 247.816 3.385 20 0 BGADHN C[C@H]1C[C@H](NCc2sccc2Cl)CS1 ZINC000307016493 229399635 /nfs/dbraw/zinc/39/96/35/229399635.db2.gz RJCNUSBTLAFAAC-YUMQZZPRSA-N 0 3 247.816 3.385 20 0 BGADHN C[C@@H]1CCN(Cc2sccc2Cl)C1 ZINC000307017844 176179283 /nfs/dbraw/zinc/17/92/83/176179283.db2.gz QKQHITJYDOEMGR-MRVPVSSYSA-N 0 3 215.749 3.243 20 0 BGADHN C[C@H]1CCN(Cc2sccc2Cl)C1 ZINC000307017845 177168493 /nfs/dbraw/zinc/16/84/93/177168493.db2.gz QKQHITJYDOEMGR-QMMMGPOBSA-N 0 3 215.749 3.243 20 0 BGADHN Clc1sccc1CNC1CCC1 ZINC000307077822 411271483 /nfs/dbraw/zinc/27/14/83/411271483.db2.gz PTMUGDCBSHRZQX-UHFFFAOYSA-N 0 3 201.722 3.044 20 0 BGADHN Clc1sccc1CN[C@@H]1C[C@H]2C[C@H]2C1 ZINC000307090341 388421139 /nfs/dbraw/zinc/42/11/39/388421139.db2.gz PPECIWRUWAEIRH-ILWJIGKKSA-N 0 3 227.760 3.290 20 0 BGADHN C[C@H]1SCC[C@@H]1NCc1sccc1Cl ZINC000307099623 411465476 /nfs/dbraw/zinc/46/54/76/411465476.db2.gz GBWLPCZXLQPLOA-APPZFPTMSA-N 0 3 247.816 3.385 20 0 BGADHN C[C@@H]1SCC[C@@H]1NCc1sccc1Cl ZINC000307099625 411465548 /nfs/dbraw/zinc/46/55/48/411465548.db2.gz GBWLPCZXLQPLOA-CBAPKCEASA-N 0 3 247.816 3.385 20 0 BGADHN C[C@@H]1SCC[C@H]1NCc1sccc1Cl ZINC000307099627 411465832 /nfs/dbraw/zinc/46/58/32/411465832.db2.gz GBWLPCZXLQPLOA-IONNQARKSA-N 0 3 247.816 3.385 20 0 BGADHN C[C@H]1SCC[C@H]1NCc1sccc1Cl ZINC000307099629 411465559 /nfs/dbraw/zinc/46/55/59/411465559.db2.gz GBWLPCZXLQPLOA-VXNVDRBHSA-N 0 3 247.816 3.385 20 0 BGADHN Cc1sccc1CN[C@@H]1C=CCCC1 ZINC000307104482 398040813 /nfs/dbraw/zinc/04/08/13/398040813.db2.gz XDUMORUCCJYUPO-GFCCVEGCSA-N 0 3 207.342 3.255 20 0 BGADHN Cc1sccc1CN[C@H]1C=CCCC1 ZINC000307104493 398040890 /nfs/dbraw/zinc/04/08/90/398040890.db2.gz XDUMORUCCJYUPO-LBPRGKRZSA-N 0 3 207.342 3.255 20 0 BGADHN Cc1ccc(CN[C@H]2CCC[C@H]2F)s1 ZINC000307136088 385659232 /nfs/dbraw/zinc/65/92/32/385659232.db2.gz SSWJRGPWYNWTSP-MNOVXSKESA-N 0 3 213.321 3.037 20 0 BGADHN C[C@@H]1C[C@H](NCc2cc(Cl)cs2)CS1 ZINC000307164387 388422390 /nfs/dbraw/zinc/42/23/90/388422390.db2.gz KBKVQQXJEAXMQM-APPZFPTMSA-N 0 3 247.816 3.385 20 0 BGADHN C[C@H]1C[C@H](NCc2cc(Cl)cs2)CS1 ZINC000307164407 388422525 /nfs/dbraw/zinc/42/25/25/388422525.db2.gz KBKVQQXJEAXMQM-CBAPKCEASA-N 0 3 247.816 3.385 20 0 BGADHN C[C@H]1C[C@@H](NCc2cc(Cl)cs2)CS1 ZINC000307164418 388422554 /nfs/dbraw/zinc/42/25/54/388422554.db2.gz KBKVQQXJEAXMQM-IONNQARKSA-N 0 3 247.816 3.385 20 0 BGADHN C[C@@H]1C[C@@H](NCc2cc(Cl)cs2)CS1 ZINC000307164436 388422223 /nfs/dbraw/zinc/42/22/23/388422223.db2.gz KBKVQQXJEAXMQM-VXNVDRBHSA-N 0 3 247.816 3.385 20 0 BGADHN Cc1sccc1CN[C@H]1CCC[C@H]1F ZINC000307178045 385662076 /nfs/dbraw/zinc/66/20/76/385662076.db2.gz IUXBMXONGMRXAS-MNOVXSKESA-N 0 3 213.321 3.037 20 0 BGADHN Cc1ccc(CN2CCCC2)c(Cl)c1 ZINC000307185518 387529290 /nfs/dbraw/zinc/52/92/90/387529290.db2.gz ITCBZVYQTJTTGA-UHFFFAOYSA-N 0 3 209.720 3.244 20 0 BGADHN F[C@@H]1CCCC[C@H]1NCc1ccsc1 ZINC000307193046 397990550 /nfs/dbraw/zinc/99/05/50/397990550.db2.gz NAIRSPRJKTXEMJ-GHMZBOCLSA-N 0 3 213.321 3.118 20 0 BGADHN C[C@@H](N[C@@H]1CCC[C@@H]1F)c1ccsc1 ZINC000307239506 369998292 /nfs/dbraw/zinc/99/82/92/369998292.db2.gz HSLBOXNYGAMPAF-DVVUODLYSA-N 0 3 213.321 3.289 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@@H]1F)c1ccsc1 ZINC000307239507 385669465 /nfs/dbraw/zinc/66/94/65/385669465.db2.gz HSLBOXNYGAMPAF-INTQDDNPSA-N 0 3 213.321 3.289 20 0 BGADHN Cc1ccsc1CN[C@@H]1CCC[C@@H]1F ZINC000307241907 387528545 /nfs/dbraw/zinc/52/85/45/387528545.db2.gz IYPAMJVJFWYBDR-VHSXEESVSA-N 0 3 213.321 3.037 20 0 BGADHN Cc1ccc(CN[C@@H]2CCC[C@@H]2F)s1 ZINC000307287023 353066516 /nfs/dbraw/zinc/06/65/16/353066516.db2.gz SSWJRGPWYNWTSP-WDEREUQCSA-N 0 3 213.321 3.037 20 0 BGADHN CCNCc1csc(Cl)c1Cl ZINC000307298358 170130018 /nfs/dbraw/zinc/13/00/18/170130018.db2.gz UDCOQMSFAFWNTB-UHFFFAOYSA-N 0 3 210.129 3.164 20 0 BGADHN Clc1cscc1CNC1CC=CC1 ZINC000307301021 490659451 /nfs/dbraw/zinc/65/94/51/490659451.db2.gz WWBZZBOGRCAJTF-UHFFFAOYSA-N 0 3 213.733 3.210 20 0 BGADHN CC1=C(Br)CN(C2CCCC2)CC1 ZINC000307329553 635986174 /nfs/dbraw/zinc/98/61/74/635986174.db2.gz XCQURFXLUZLVJW-UHFFFAOYSA-N 0 3 244.176 3.304 20 0 BGADHN Cc1cc(CNCc2ccccc2)cs1 ZINC000307340581 178026201 /nfs/dbraw/zinc/02/62/01/178026201.db2.gz TXHLYMTYGXMUII-UHFFFAOYSA-N 0 3 217.337 3.346 20 0 BGADHN CN(Cc1ccc(Br)o1)C(C)(C)C ZINC000307354428 369999540 /nfs/dbraw/zinc/99/95/40/369999540.db2.gz SJNAWQKXRDPQAD-UHFFFAOYSA-N 0 3 246.148 3.272 20 0 BGADHN Clc1ccsc1CN[C@@H]1C[C@H]2C[C@H]2C1 ZINC000307363679 388423102 /nfs/dbraw/zinc/42/31/02/388423102.db2.gz JMMOTXJLMLQNHT-AYMMMOKOSA-N 0 3 227.760 3.290 20 0 BGADHN Cc1cc(CN[C@H]2CSC2(C)C)cs1 ZINC000307388989 388423447 /nfs/dbraw/zinc/42/34/47/388423447.db2.gz PKUPHCIDDJTZAV-JTQLQIEISA-N 0 3 227.398 3.040 20 0 BGADHN Cc1cc(CN[C@@H]2CSC2(C)C)cs1 ZINC000307388990 388423652 /nfs/dbraw/zinc/42/36/52/388423652.db2.gz PKUPHCIDDJTZAV-SNVBAGLBSA-N 0 3 227.398 3.040 20 0 BGADHN C[C@@H]1CSC[C@H]1NCc1cscc1Cl ZINC000307399866 490660355 /nfs/dbraw/zinc/66/03/55/490660355.db2.gz ASNLHSQHZOWHHF-GMSGAONNSA-N 0 3 247.816 3.243 20 0 BGADHN C[C@H]1CSC[C@H]1NCc1cscc1Cl ZINC000307399867 490660369 /nfs/dbraw/zinc/66/03/69/490660369.db2.gz ASNLHSQHZOWHHF-OIBJUYFYSA-N 0 3 247.816 3.243 20 0 BGADHN C[C@@H]1CSC[C@@H]1NCc1cscc1Cl ZINC000307399868 490660381 /nfs/dbraw/zinc/66/03/81/490660381.db2.gz ASNLHSQHZOWHHF-XCBNKYQSSA-N 0 3 247.816 3.243 20 0 BGADHN C[C@H]1CSC[C@@H]1NCc1cscc1Cl ZINC000307399869 490660342 /nfs/dbraw/zinc/66/03/42/490660342.db2.gz ASNLHSQHZOWHHF-XVKPBYJWSA-N 0 3 247.816 3.243 20 0 BGADHN C[C@@H]1CSC[C@@H]1NCc1sccc1Cl ZINC000307423754 176353372 /nfs/dbraw/zinc/35/33/72/176353372.db2.gz NSUDLKSPKGNLKZ-APPZFPTMSA-N 0 3 247.816 3.243 20 0 BGADHN C[C@H]1CSC[C@H]1NCc1sccc1Cl ZINC000307423759 177307250 /nfs/dbraw/zinc/30/72/50/177307250.db2.gz NSUDLKSPKGNLKZ-IONNQARKSA-N 0 3 247.816 3.243 20 0 BGADHN C[C@@H]1CSC[C@H]1NCc1sccc1Cl ZINC000307423763 176355685 /nfs/dbraw/zinc/35/56/85/176355685.db2.gz NSUDLKSPKGNLKZ-VXNVDRBHSA-N 0 3 247.816 3.243 20 0 BGADHN Clc1sccc1CNC1CCSCC1 ZINC000307479732 385691515 /nfs/dbraw/zinc/69/15/15/385691515.db2.gz GCDGXIARYZGAPL-UHFFFAOYSA-N 0 3 247.816 3.387 20 0 BGADHN CCc1ccc(CN2CCCCC2)s1 ZINC000307487745 323203279 /nfs/dbraw/zinc/20/32/79/323203279.db2.gz WHGIXGDDRHQNDU-UHFFFAOYSA-N 0 3 209.358 3.296 20 0 BGADHN CC[C@@H](C)CN1CCC(C)=C(Br)C1 ZINC000307554565 643503445 /nfs/dbraw/zinc/50/34/45/643503445.db2.gz SLQDDFATVBOQGO-SECBINFHSA-N 0 3 246.192 3.407 20 0 BGADHN CC[C@H](C)CN1CCC(C)=C(Br)C1 ZINC000307554566 643502903 /nfs/dbraw/zinc/50/29/03/643502903.db2.gz SLQDDFATVBOQGO-VIFPVBQESA-N 0 3 246.192 3.407 20 0 BGADHN FC(F)(F)C1(CNCc2ccccc2)CC1 ZINC000307566571 385704048 /nfs/dbraw/zinc/70/40/48/385704048.db2.gz SHYJRKTYYVGMTP-UHFFFAOYSA-N 0 3 229.245 3.119 20 0 BGADHN C[C@@H]1CC[C@H]1NCc1ccccc1Cl ZINC000307619058 176236710 /nfs/dbraw/zinc/23/67/10/176236710.db2.gz VWFKQIOSGSOUDM-BXKDBHETSA-N 0 3 209.720 3.228 20 0 BGADHN C[C@H]1CC[C@@H]1NCc1ccccc1Cl ZINC000307619059 177194881 /nfs/dbraw/zinc/19/48/81/177194881.db2.gz VWFKQIOSGSOUDM-CABZTGNLSA-N 0 3 209.720 3.228 20 0 BGADHN C[C@H]1CC[C@H]1NCc1ccccc1Cl ZINC000307619060 177207233 /nfs/dbraw/zinc/20/72/33/177207233.db2.gz VWFKQIOSGSOUDM-JOYOIKCWSA-N 0 3 209.720 3.228 20 0 BGADHN C[C@@H]1CC[C@@H]1NCc1ccccc1Cl ZINC000307619061 176216782 /nfs/dbraw/zinc/21/67/82/176216782.db2.gz VWFKQIOSGSOUDM-SKDRFNHKSA-N 0 3 209.720 3.228 20 0 BGADHN F[C@@H]1CC[C@H](NCc2ccsc2Cl)C1 ZINC000307620419 385736405 /nfs/dbraw/zinc/73/64/05/385736405.db2.gz AWOJXEYSHAFDDQ-BDAKNGLRSA-N 0 3 233.739 3.382 20 0 BGADHN F[C@H]1CC[C@@H](NCc2ccsc2Cl)C1 ZINC000307620420 385735754 /nfs/dbraw/zinc/73/57/54/385735754.db2.gz AWOJXEYSHAFDDQ-DTWKUNHWSA-N 0 3 233.739 3.382 20 0 BGADHN F[C@H]1CC[C@H](NCc2ccsc2Cl)C1 ZINC000307620421 385736292 /nfs/dbraw/zinc/73/62/92/385736292.db2.gz AWOJXEYSHAFDDQ-IUCAKERBSA-N 0 3 233.739 3.382 20 0 BGADHN F[C@@H]1CC[C@@H](NCc2ccsc2Cl)C1 ZINC000307620422 180942231 /nfs/dbraw/zinc/94/22/31/180942231.db2.gz AWOJXEYSHAFDDQ-RKDXNWHRSA-N 0 3 233.739 3.382 20 0 BGADHN CCCNCc1ccsc1Br ZINC000307658138 323334134 /nfs/dbraw/zinc/33/41/34/323334134.db2.gz SHHOHJKCQYIWOP-UHFFFAOYSA-N 0 3 234.162 3.010 20 0 BGADHN CC1(C)C[C@H]1NCc1sccc1Cl ZINC000307681142 534931430 /nfs/dbraw/zinc/93/14/30/534931430.db2.gz WNFDWZYXVYRYBT-SECBINFHSA-N 0 3 215.749 3.290 20 0 BGADHN CC1(C)C[C@@H]1NCc1sccc1Cl ZINC000307681143 398066927 /nfs/dbraw/zinc/06/69/27/398066927.db2.gz WNFDWZYXVYRYBT-VIFPVBQESA-N 0 3 215.749 3.290 20 0 BGADHN Cc1csc(CNCc2ccccc2)c1 ZINC000307683379 385768279 /nfs/dbraw/zinc/76/82/79/385768279.db2.gz GZVJJAQCYYXNGW-UHFFFAOYSA-N 0 3 217.337 3.346 20 0 BGADHN C[C@@H]1CCN(Cc2ccc(Cl)s2)C1 ZINC000307703229 176173460 /nfs/dbraw/zinc/17/34/60/176173460.db2.gz VIEBICKZNCYHNO-MRVPVSSYSA-N 0 3 215.749 3.243 20 0 BGADHN C[C@H]1CCN(Cc2ccc(Cl)s2)C1 ZINC000307703230 177163343 /nfs/dbraw/zinc/16/33/43/177163343.db2.gz VIEBICKZNCYHNO-QMMMGPOBSA-N 0 3 215.749 3.243 20 0 BGADHN F[C@@H]1CCCC[C@H]1NCc1cccs1 ZINC000307708755 388425513 /nfs/dbraw/zinc/42/55/13/388425513.db2.gz KCXPMCAMJJIUNX-GHMZBOCLSA-N 0 3 213.321 3.118 20 0 BGADHN Clc1ccsc1CN[C@H]1[C@@H]2CCC[C@@H]21 ZINC000307710199 259338746 /nfs/dbraw/zinc/33/87/46/259338746.db2.gz OTQLAFRRDXWADZ-VROVMSAKSA-N 0 3 227.760 3.290 20 0 BGADHN C[C@@H]1CC[C@@H]1NCc1ccsc1Cl ZINC000307711964 353095723 /nfs/dbraw/zinc/09/57/23/353095723.db2.gz VSONLWJIWQWNLP-APPZFPTMSA-N 0 3 215.749 3.290 20 0 BGADHN C[C@H]1CC[C@@H]1NCc1ccsc1Cl ZINC000307711965 177195737 /nfs/dbraw/zinc/19/57/37/177195737.db2.gz VSONLWJIWQWNLP-CBAPKCEASA-N 0 3 215.749 3.290 20 0 BGADHN C[C@H]1CC[C@H]1NCc1ccsc1Cl ZINC000307711966 177207469 /nfs/dbraw/zinc/20/74/69/177207469.db2.gz VSONLWJIWQWNLP-IONNQARKSA-N 0 3 215.749 3.290 20 0 BGADHN C[C@@H]1CC[C@H]1NCc1ccsc1Cl ZINC000307711967 176237164 /nfs/dbraw/zinc/23/71/64/176237164.db2.gz VSONLWJIWQWNLP-VXNVDRBHSA-N 0 3 215.749 3.290 20 0 BGADHN C[C@@H](N[C@@H]1CSC1(C)C)c1cccs1 ZINC000307749721 175918687 /nfs/dbraw/zinc/91/86/87/175918687.db2.gz HRAJMQOBSQPBCI-PSASIEDQSA-N 0 3 227.398 3.293 20 0 BGADHN C[C@@H](N[C@H]1CSC1(C)C)c1cccs1 ZINC000307749722 385828922 /nfs/dbraw/zinc/82/89/22/385828922.db2.gz HRAJMQOBSQPBCI-SCZZXKLOSA-N 0 3 227.398 3.293 20 0 BGADHN C[C@H](N[C@@H]1CSC1(C)C)c1cccs1 ZINC000307749723 385830026 /nfs/dbraw/zinc/83/00/26/385830026.db2.gz HRAJMQOBSQPBCI-WCBMZHEXSA-N 0 3 227.398 3.293 20 0 BGADHN C[C@H](N[C@H]1CSC1(C)C)c1cccs1 ZINC000307749724 385829008 /nfs/dbraw/zinc/82/90/08/385829008.db2.gz HRAJMQOBSQPBCI-WPRPVWTQSA-N 0 3 227.398 3.293 20 0 BGADHN CCc1cc(N[C@H](C)c2ccccn2)ccn1 ZINC000307766992 529561935 /nfs/dbraw/zinc/56/19/35/529561935.db2.gz GLNWFDZNYJOPMW-LLVKDONJSA-N 0 3 227.311 3.212 20 0 BGADHN CCc1cc(N[C@@H](C)c2ccccn2)ccn1 ZINC000307766993 529559911 /nfs/dbraw/zinc/55/99/11/529559911.db2.gz GLNWFDZNYJOPMW-NSHDSACASA-N 0 3 227.311 3.212 20 0 BGADHN CCc1cc(N[C@@H](C)c2nccs2)ccn1 ZINC000307800633 388426855 /nfs/dbraw/zinc/42/68/55/388426855.db2.gz BOCKDVHVMDZUSP-VIFPVBQESA-N 0 3 233.340 3.274 20 0 BGADHN CCCCNCc1cscc1Br ZINC000307958103 385362366 /nfs/dbraw/zinc/36/23/66/385362366.db2.gz HXTWAGOVGRDHGX-UHFFFAOYSA-N 0 3 248.189 3.400 20 0 BGADHN CC(C)CNCc1ccsc1Cl ZINC000307962041 167009354 /nfs/dbraw/zinc/00/93/54/167009354.db2.gz MPVURYVBBMXXLE-UHFFFAOYSA-N 0 3 203.738 3.147 20 0 BGADHN CCn1nc(C)c(CNC2C(C)(C)C2(C)C)c1C ZINC000307964600 172245336 /nfs/dbraw/zinc/24/53/36/172245336.db2.gz KIFVITXOFWBORT-UHFFFAOYSA-N 0 3 249.402 3.044 20 0 BGADHN CCCCNCc1ccsc1Cl ZINC000307968003 385371139 /nfs/dbraw/zinc/37/11/39/385371139.db2.gz DNWMTEZPSFLCAD-UHFFFAOYSA-N 0 3 203.738 3.291 20 0 BGADHN CC(C)CNCc1ccsc1Br ZINC000307968727 385367236 /nfs/dbraw/zinc/36/72/36/385367236.db2.gz VJIFGPZGSNZTRD-UHFFFAOYSA-N 0 3 248.189 3.256 20 0 BGADHN CCn1nc(C)c(CN[C@@H]2C[C@H]2CC(C)C)c1C ZINC000307988238 229217920 /nfs/dbraw/zinc/21/79/20/229217920.db2.gz VUHDAMPGSWAZGS-UKRRQHHQSA-N 0 3 249.402 3.044 20 0 BGADHN CC[C@@H](C)NCc1cscc1Cl ZINC000307990946 491134485 /nfs/dbraw/zinc/13/44/85/491134485.db2.gz TVIAVIZEZWAXEP-SSDOTTSWSA-N 0 3 203.738 3.290 20 0 BGADHN CC[C@H](C)NCc1cscc1Cl ZINC000307990947 491134494 /nfs/dbraw/zinc/13/44/94/491134494.db2.gz TVIAVIZEZWAXEP-ZETCQYMHSA-N 0 3 203.738 3.290 20 0 BGADHN Cc1ccc([C@@H](C)NC/C=C\Cl)s1 ZINC000308101705 642366010 /nfs/dbraw/zinc/36/60/10/642366010.db2.gz HWILQPVHEDXVTA-JVBZPZKUSA-N 0 3 215.749 3.460 20 0 BGADHN Cc1ccc([C@H](C)NC/C=C\Cl)s1 ZINC000308101710 642367116 /nfs/dbraw/zinc/36/71/16/642367116.db2.gz HWILQPVHEDXVTA-RWIWAZIYSA-N 0 3 215.749 3.460 20 0 BGADHN C/C=C\CNCc1cccc(Br)c1 ZINC000308102494 350399073 /nfs/dbraw/zinc/39/90/73/350399073.db2.gz HVEGKGMVMBAQNK-IHWYPQMZSA-N 0 3 240.144 3.115 20 0 BGADHN CC(C)CN(C)Cc1ccc(Cl)o1 ZINC000308140479 350578547 /nfs/dbraw/zinc/57/85/47/350578547.db2.gz ICZMIJOOPSFLCM-UHFFFAOYSA-N 0 3 201.697 3.021 20 0 BGADHN CCc1ccc(CNC/C=C\Cl)s1 ZINC000308148144 642436676 /nfs/dbraw/zinc/43/66/76/642436676.db2.gz DKNOBPZCULMAHJ-UTCJRWHESA-N 0 3 215.749 3.153 20 0 BGADHN CC(C)CN(C)Cc1cc(Cl)cs1 ZINC000308155033 350584957 /nfs/dbraw/zinc/58/49/57/350584957.db2.gz QPPNPAHGYWIWMB-UHFFFAOYSA-N 0 3 217.765 3.489 20 0 BGADHN CC(C)(NC/C=C/Cl)c1cccs1 ZINC000308156735 642450308 /nfs/dbraw/zinc/45/03/08/642450308.db2.gz RUZAHHJSLJOGDC-GQCTYLIASA-N 0 3 215.749 3.325 20 0 BGADHN CC(C)(NC/C=C\Cl)c1cccs1 ZINC000308156737 642465809 /nfs/dbraw/zinc/46/58/09/642465809.db2.gz RUZAHHJSLJOGDC-XQRVVYSFSA-N 0 3 215.749 3.325 20 0 BGADHN CC(C)CCN(C/C=C\Cl)C1CC1 ZINC000308169528 633188820 /nfs/dbraw/zinc/18/88/20/633188820.db2.gz YYIHSYOTWJFURQ-CLTKARDFSA-N 0 3 201.741 3.249 20 0 BGADHN CC(C)CN(C)Cc1sccc1Cl ZINC000308169665 350584106 /nfs/dbraw/zinc/58/41/06/350584106.db2.gz ZCAOLFVBSMUMPZ-UHFFFAOYSA-N 0 3 217.765 3.489 20 0 BGADHN CCCN(CC)Cc1ccc(Br)o1 ZINC000308208925 169130280 /nfs/dbraw/zinc/13/02/80/169130280.db2.gz FHMMZJKOSGTYDS-UHFFFAOYSA-N 0 3 246.148 3.274 20 0 BGADHN CC[C@H](F)CN[C@H](C)c1cccs1 ZINC000308228086 385753834 /nfs/dbraw/zinc/75/38/34/385753834.db2.gz NTKQGIVDQURGND-BDAKNGLRSA-N 0 3 201.310 3.147 20 0 BGADHN CC[C@@H](F)CN[C@@H](C)c1cccs1 ZINC000308228089 170858847 /nfs/dbraw/zinc/85/88/47/170858847.db2.gz NTKQGIVDQURGND-DTWKUNHWSA-N 0 3 201.310 3.147 20 0 BGADHN CC[C@H](F)CN[C@@H](C)c1cccs1 ZINC000308228093 385753741 /nfs/dbraw/zinc/75/37/41/385753741.db2.gz NTKQGIVDQURGND-IUCAKERBSA-N 0 3 201.310 3.147 20 0 BGADHN CC[C@@H](F)CN[C@H](C)c1cccs1 ZINC000308228096 385754122 /nfs/dbraw/zinc/75/41/22/385754122.db2.gz NTKQGIVDQURGND-RKDXNWHRSA-N 0 3 201.310 3.147 20 0 BGADHN CCCN(CC)Cc1ccc(Cl)o1 ZINC000308248004 169128992 /nfs/dbraw/zinc/12/89/92/169128992.db2.gz YPOKQXRHYAGTTP-UHFFFAOYSA-N 0 3 201.697 3.165 20 0 BGADHN CN(C)CCSCc1ccc(Cl)s1 ZINC000308252919 385550377 /nfs/dbraw/zinc/55/03/77/385550377.db2.gz GWGRRHUJCMYUIG-UHFFFAOYSA-N 0 3 235.805 3.196 20 0 BGADHN CN(C)CCSCCCC(C)(C)C ZINC000308268652 385763060 /nfs/dbraw/zinc/76/30/60/385763060.db2.gz QXERFTWVMDZZGF-UHFFFAOYSA-N 0 3 203.395 3.108 20 0 BGADHN CCN(Cc1ccc(Cl)o1)C(C)C ZINC000308304673 386111197 /nfs/dbraw/zinc/11/11/97/386111197.db2.gz NTOVCXAESDMGKS-UHFFFAOYSA-N 0 3 201.697 3.163 20 0 BGADHN CC[C@@H](C)N(C)Cc1ccc(Cl)o1 ZINC000308309537 385855030 /nfs/dbraw/zinc/85/50/30/385855030.db2.gz QHJNRJOKQPHEER-MRVPVSSYSA-N 0 3 201.697 3.163 20 0 BGADHN CC[C@H](C)N(C)Cc1ccc(Cl)o1 ZINC000308309538 171307416 /nfs/dbraw/zinc/30/74/16/171307416.db2.gz QHJNRJOKQPHEER-QMMMGPOBSA-N 0 3 201.697 3.163 20 0 BGADHN CS[C@H](C)CNCc1ccsc1Cl ZINC000308319540 384634229 /nfs/dbraw/zinc/63/42/29/384634229.db2.gz ZKMJPKOAVDCAOO-SSDOTTSWSA-N 0 3 235.805 3.243 20 0 BGADHN CS[C@@H](C)CNCc1ccsc1Cl ZINC000308319541 384635091 /nfs/dbraw/zinc/63/50/91/384635091.db2.gz ZKMJPKOAVDCAOO-ZETCQYMHSA-N 0 3 235.805 3.243 20 0 BGADHN CC1(CNCc2ccsc2Cl)CC1 ZINC000308328342 168044363 /nfs/dbraw/zinc/04/43/63/168044363.db2.gz IODBMUBWLITHQV-UHFFFAOYSA-N 0 3 215.749 3.291 20 0 BGADHN C[C@@H](NCc1cscc1Cl)C1CC1 ZINC000308330094 410708051 /nfs/dbraw/zinc/70/80/51/410708051.db2.gz JZVGJSZUCLTNPQ-SSDOTTSWSA-N 0 3 215.749 3.290 20 0 BGADHN C[C@H](NCc1cscc1Cl)C1CC1 ZINC000308330096 411509265 /nfs/dbraw/zinc/50/92/65/411509265.db2.gz JZVGJSZUCLTNPQ-ZETCQYMHSA-N 0 3 215.749 3.290 20 0 BGADHN FCCCCNCc1ccsc1Cl ZINC000308355395 180926960 /nfs/dbraw/zinc/92/69/60/180926960.db2.gz AUOOFNNHICIYCS-UHFFFAOYSA-N 0 3 221.728 3.241 20 0 BGADHN CO[C@@H]1C[C@H](N[C@@H](C)c2ccc(C)o2)C12CCC2 ZINC000308359025 388436014 /nfs/dbraw/zinc/43/60/14/388436014.db2.gz FDTUQAIJJIHQQL-FPMFFAJLSA-N 0 3 249.354 3.196 20 0 BGADHN CO[C@@H]1C[C@@H](N[C@@H](C)c2ccc(C)o2)C12CCC2 ZINC000308359030 388436023 /nfs/dbraw/zinc/43/60/23/388436023.db2.gz FDTUQAIJJIHQQL-IACUBPJLSA-N 0 3 249.354 3.196 20 0 BGADHN CO[C@@H]1C[C@H](N[C@H](C)c2ccc(C)o2)C12CCC2 ZINC000308359031 388436556 /nfs/dbraw/zinc/43/65/56/388436556.db2.gz FDTUQAIJJIHQQL-KWCYVHTRSA-N 0 3 249.354 3.196 20 0 BGADHN CO[C@@H]1C[C@@H](N[C@H](C)c2ccc(C)o2)C12CCC2 ZINC000308359032 388436578 /nfs/dbraw/zinc/43/65/78/388436578.db2.gz FDTUQAIJJIHQQL-MRVWCRGKSA-N 0 3 249.354 3.196 20 0 BGADHN Clc1sccc1CNCC1CCC1 ZINC000308362953 384648404 /nfs/dbraw/zinc/64/84/04/384648404.db2.gz FLQHNHIZLAQDBL-UHFFFAOYSA-N 0 3 215.749 3.291 20 0 BGADHN Clc1sccc1CNCCC1CC1 ZINC000308385137 491136210 /nfs/dbraw/zinc/13/62/10/491136210.db2.gz TXXMWNFIDPSXOM-UHFFFAOYSA-N 0 3 215.749 3.291 20 0 BGADHN C/C=C\CN[C@@H]1CCCc2sccc21 ZINC000308401104 350695954 /nfs/dbraw/zinc/69/59/54/350695954.db2.gz PVBOOPFIZNEZFM-OTDNITJGSA-N 0 3 207.342 3.291 20 0 BGADHN C/C=C\CN[C@H]1CCCc2sccc21 ZINC000308401105 350696053 /nfs/dbraw/zinc/69/60/53/350696053.db2.gz PVBOOPFIZNEZFM-QUCGXOGASA-N 0 3 207.342 3.291 20 0 BGADHN C/C=C\CNCc1ccc(F)c(Cl)c1 ZINC000308402061 355459738 /nfs/dbraw/zinc/45/97/38/355459738.db2.gz VSUDRDPWJIDVQX-IHWYPQMZSA-N 0 3 213.683 3.145 20 0 BGADHN C[C@H](NC/C=C\Cl)c1ccc(F)cc1 ZINC000308409348 631327185 /nfs/dbraw/zinc/32/71/85/631327185.db2.gz AKDYABKFQQGQCX-HKQQGCEUSA-N 0 3 213.683 3.229 20 0 BGADHN C[C@@H](NC/C=C\Cl)c1ccc(F)cc1 ZINC000308409350 631326191 /nfs/dbraw/zinc/32/61/91/631326191.db2.gz AKDYABKFQQGQCX-RMGQIXRRSA-N 0 3 213.683 3.229 20 0 BGADHN CC[C@@H](NC/C=C\Cl)c1ccccc1 ZINC000308411313 631326576 /nfs/dbraw/zinc/32/65/76/631326576.db2.gz CQYRJJMQADDWBY-OJIASSBASA-N 0 3 209.720 3.480 20 0 BGADHN CC[C@H](NC/C=C\Cl)c1ccccc1 ZINC000308411316 631327012 /nfs/dbraw/zinc/32/70/12/631327012.db2.gz CQYRJJMQADDWBY-PWWFUAJNSA-N 0 3 209.720 3.480 20 0 BGADHN C[C@@H](NC/C=C\Cl)c1cccc(F)c1 ZINC000308414138 711526181 /nfs/dbraw/zinc/52/61/81/711526181.db2.gz GPUXLHOGTGQDNO-JVBZPZKUSA-N 0 3 213.683 3.229 20 0 BGADHN C[C@H](NC/C=C\Cl)c1cccc(F)c1 ZINC000308414139 711526217 /nfs/dbraw/zinc/52/62/17/711526217.db2.gz GPUXLHOGTGQDNO-RWIWAZIYSA-N 0 3 213.683 3.229 20 0 BGADHN FCCCCNCc1cscc1Cl ZINC000308423783 409645490 /nfs/dbraw/zinc/64/54/90/409645490.db2.gz VGZXSLPOPHAWFG-UHFFFAOYSA-N 0 3 221.728 3.241 20 0 BGADHN Cc1cccc([C@H](C)NC/C=C\Cl)c1 ZINC000308424671 631328873 /nfs/dbraw/zinc/32/88/73/631328873.db2.gz UOPPSZFSQGILTK-IBHLPDHGSA-N 0 3 209.720 3.398 20 0 BGADHN CN(C)CCSCc1sccc1Cl ZINC000308426723 386116931 /nfs/dbraw/zinc/11/69/31/386116931.db2.gz RPDWUTHIPDEBHO-UHFFFAOYSA-N 0 3 235.805 3.196 20 0 BGADHN Cc1sccc1CNCCC(F)(F)F ZINC000308481153 384741630 /nfs/dbraw/zinc/74/16/30/384741630.db2.gz GYNUJKJCNJTYKK-UHFFFAOYSA-N 0 3 223.263 3.099 20 0 BGADHN CCC(CC)CN1CCC=C(Br)C1 ZINC000308487603 631391971 /nfs/dbraw/zinc/39/19/71/631391971.db2.gz PUJLDRUWHQZTIK-UHFFFAOYSA-N 0 3 246.192 3.407 20 0 BGADHN CC[C@@H](F)CNC(C)(C)c1cccs1 ZINC000308496894 388440560 /nfs/dbraw/zinc/44/05/60/388440560.db2.gz DPXZUMUVIGBGIK-SECBINFHSA-N 0 3 215.337 3.321 20 0 BGADHN CC[C@H](F)CNC(C)(C)c1cccs1 ZINC000308496895 388440278 /nfs/dbraw/zinc/44/02/78/388440278.db2.gz DPXZUMUVIGBGIK-VIFPVBQESA-N 0 3 215.337 3.321 20 0 BGADHN CCN(CC)Cc1ccc(C)cc1Cl ZINC000308511211 386130513 /nfs/dbraw/zinc/13/05/13/386130513.db2.gz SESFYBNKTBMUAN-UHFFFAOYSA-N 0 3 211.736 3.490 20 0 BGADHN CC(C)(C)OCCNC/C=C/c1ccccc1 ZINC000308512804 347769798 /nfs/dbraw/zinc/76/97/98/347769798.db2.gz MWKHGDGFWASUEP-JXMROGBWSA-N 0 3 233.355 3.105 20 0 BGADHN CC(C)(C)OCCNC/C=C\c1ccccc1 ZINC000308512805 347770368 /nfs/dbraw/zinc/77/03/68/347770368.db2.gz MWKHGDGFWASUEP-YFHOEESVSA-N 0 3 233.355 3.105 20 0 BGADHN Clc1ccsc1CNC1(C2CC2)CC1 ZINC000308515525 370142783 /nfs/dbraw/zinc/14/27/83/370142783.db2.gz NCXXWRTYBKORDP-UHFFFAOYSA-N 0 3 227.760 3.434 20 0 BGADHN CC(C)(NC/C=C/Cl)c1ccccc1 ZINC000308516438 633743740 /nfs/dbraw/zinc/74/37/40/633743740.db2.gz FKJCIQOXSHJTBN-RMKNXTFCSA-N 0 3 209.720 3.264 20 0 BGADHN CC(C)(NC/C=C\Cl)c1ccccc1 ZINC000308516439 631412436 /nfs/dbraw/zinc/41/24/36/631412436.db2.gz FKJCIQOXSHJTBN-TWGQIWQCSA-N 0 3 209.720 3.264 20 0 BGADHN CC/C=C\CCN[C@@H](C)c1nccs1 ZINC000308518898 388441329 /nfs/dbraw/zinc/44/13/29/388441329.db2.gz NZOBSBPMZOBCNU-LWTINBJPSA-N 0 3 210.346 3.150 20 0 BGADHN CC(C)(C)OCCNc1ccnc2ccccc21 ZINC000308528756 346881057 /nfs/dbraw/zinc/88/10/57/346881057.db2.gz LTCRCLHQKRUIKA-UHFFFAOYSA-N 0 3 244.338 3.462 20 0 BGADHN CCC(C)(C)OCCNCc1csc(C)c1 ZINC000308533251 528591700 /nfs/dbraw/zinc/59/17/00/528591700.db2.gz CEZDUMWXDDHFLQ-UHFFFAOYSA-N 0 3 241.400 3.351 20 0 BGADHN CCC(C)(C)OCCNCc1ccsc1C ZINC000308538040 388441844 /nfs/dbraw/zinc/44/18/44/388441844.db2.gz GSVDVQBZSJWJEO-UHFFFAOYSA-N 0 3 241.400 3.351 20 0 BGADHN CCC(C)(C)OCCN[C@H](C)c1ccc(C)o1 ZINC000308538996 388441559 /nfs/dbraw/zinc/44/15/59/388441559.db2.gz HOZQSANXKDEITJ-GFCCVEGCSA-N 0 3 239.359 3.444 20 0 BGADHN CCC(C)(C)OCCN[C@@H](C)c1ccc(C)o1 ZINC000308538997 388441644 /nfs/dbraw/zinc/44/16/44/388441644.db2.gz HOZQSANXKDEITJ-LBPRGKRZSA-N 0 3 239.359 3.444 20 0 BGADHN CCC(C)(C)OCCNCc1ccsc1 ZINC000308539050 528591559 /nfs/dbraw/zinc/59/15/59/528591559.db2.gz HTWHRZUPXUVDEK-UHFFFAOYSA-N 0 3 227.373 3.043 20 0 BGADHN CCC(C)(C)OCCN[C@H]1CCc2ccccc21 ZINC000308548231 528592687 /nfs/dbraw/zinc/59/26/87/528592687.db2.gz RDZBXPRZTPVJKR-HNNXBMFYSA-N 0 3 247.382 3.469 20 0 BGADHN CCC(C)(C)OCCN[C@@H]1CCc2ccccc21 ZINC000308548233 528592745 /nfs/dbraw/zinc/59/27/45/528592745.db2.gz RDZBXPRZTPVJKR-OAHLLOKOSA-N 0 3 247.382 3.469 20 0 BGADHN CCC(C)(C)OCCNCc1ccc(C)cc1 ZINC000308550093 528591269 /nfs/dbraw/zinc/59/12/69/528591269.db2.gz VMIDCTIZVZSQAL-UHFFFAOYSA-N 0 3 235.371 3.290 20 0 BGADHN CCC(C)(C)OCCNCc1cccc(C)c1 ZINC000308550680 388442963 /nfs/dbraw/zinc/44/29/63/388442963.db2.gz WINHQEDJDIMBRT-UHFFFAOYSA-N 0 3 235.371 3.290 20 0 BGADHN CCC(C)(CC)NCc1ncc(C)s1 ZINC000308551436 168311293 /nfs/dbraw/zinc/31/12/93/168311293.db2.gz XNXFPBSPGQUGBN-UHFFFAOYSA-N 0 3 212.362 3.120 20 0 BGADHN CCC(C)(C)OCCN[C@H](C)c1ccoc1 ZINC000308552442 259340171 /nfs/dbraw/zinc/34/01/71/259340171.db2.gz ZHXLERKBRDMABL-LLVKDONJSA-N 0 3 225.332 3.135 20 0 BGADHN CCC(C)(C)OCCN[C@@H](C)c1ccoc1 ZINC000308552443 259340319 /nfs/dbraw/zinc/34/03/19/259340319.db2.gz ZHXLERKBRDMABL-NSHDSACASA-N 0 3 225.332 3.135 20 0 BGADHN CCC(C)(C)OCCNCc1ccccc1C ZINC000308552504 388442688 /nfs/dbraw/zinc/44/26/88/388442688.db2.gz ZZTFXVIAGVLPEK-UHFFFAOYSA-N 0 3 235.371 3.290 20 0 BGADHN Cc1ccc(CNCCCF)c(Cl)c1 ZINC000308554646 388361981 /nfs/dbraw/zinc/36/19/81/388361981.db2.gz RPSLPBYMPOZQQN-UHFFFAOYSA-N 0 3 215.699 3.098 20 0 BGADHN CC(C)(C)C(C)(C)NCc1nccs1 ZINC000308558167 409833230 /nfs/dbraw/zinc/83/32/30/409833230.db2.gz CIFCEUZNJSJIAA-UHFFFAOYSA-N 0 3 212.362 3.057 20 0 BGADHN CC(C)(C)C(C)(C)NCc1cscn1 ZINC000308572744 384822280 /nfs/dbraw/zinc/82/22/80/384822280.db2.gz LFLAMMCWPLJBAJ-UHFFFAOYSA-N 0 3 212.362 3.057 20 0 BGADHN CCc1ccc(CNC(C)(C)CF)s1 ZINC000308585962 323176026 /nfs/dbraw/zinc/17/60/26/323176026.db2.gz IIXOKUIEJBPQGF-UHFFFAOYSA-N 0 3 215.337 3.148 20 0 BGADHN FC(F)(F)c1cscc1CNC1CC1 ZINC000308591833 346886778 /nfs/dbraw/zinc/88/67/78/346886778.db2.gz PIXPEDLBFLXKQP-UHFFFAOYSA-N 0 3 221.247 3.019 20 0 BGADHN CC1(CCNCc2ncc(Cl)s2)CC1 ZINC000308598351 384832337 /nfs/dbraw/zinc/83/23/37/384832337.db2.gz ADTVJYZJBXNRMU-UHFFFAOYSA-N 0 3 230.764 3.076 20 0 BGADHN CC1(CCNCc2ccc(Cl)o2)CC1 ZINC000308600452 168020169 /nfs/dbraw/zinc/02/01/69/168020169.db2.gz AOFBMXDXLVRMOB-UHFFFAOYSA-N 0 3 213.708 3.213 20 0 BGADHN CC(C)(C)OCCNCc1cc2ccccc2o1 ZINC000308633644 259340303 /nfs/dbraw/zinc/34/03/03/259340303.db2.gz ADPYOFSHVYIABE-UHFFFAOYSA-N 0 3 247.338 3.338 20 0 BGADHN C[C@H](CCc1ccc(Cl)s1)NCCF ZINC000308640382 388445647 /nfs/dbraw/zinc/44/56/47/388445647.db2.gz DPJDUGSKFBNMEY-MRVPVSSYSA-N 0 3 235.755 3.282 20 0 BGADHN C[C@@H](CCc1ccc(Cl)s1)NCCF ZINC000308640383 388446096 /nfs/dbraw/zinc/44/60/96/388446096.db2.gz DPJDUGSKFBNMEY-QMMMGPOBSA-N 0 3 235.755 3.282 20 0 BGADHN CC(C)=CCCN[C@@H](C)c1nccs1 ZINC000308641419 383845943 /nfs/dbraw/zinc/84/59/43/383845943.db2.gz DXJQHVVJNYWQTR-JTQLQIEISA-N 0 3 210.346 3.150 20 0 BGADHN CC(C)=CCCN[C@H](C)c1nccs1 ZINC000308641420 188099414 /nfs/dbraw/zinc/09/94/14/188099414.db2.gz DXJQHVVJNYWQTR-SNVBAGLBSA-N 0 3 210.346 3.150 20 0 BGADHN C[C@H](CF)N[C@H](C)CCc1ccsc1 ZINC000308641496 383845982 /nfs/dbraw/zinc/84/59/82/383845982.db2.gz DZMAELWJHZQFJO-NXEZZACHSA-N 0 3 215.337 3.017 20 0 BGADHN C[C@@H](CF)N[C@@H](C)CCc1ccsc1 ZINC000308641497 383853558 /nfs/dbraw/zinc/85/35/58/383853558.db2.gz DZMAELWJHZQFJO-UWVGGRQHSA-N 0 3 215.337 3.017 20 0 BGADHN C[C@H](CF)N[C@@H](C)CCc1ccsc1 ZINC000308641498 383853937 /nfs/dbraw/zinc/85/39/37/383853937.db2.gz DZMAELWJHZQFJO-VHSXEESVSA-N 0 3 215.337 3.017 20 0 BGADHN C[C@H](CCc1ccsc1)N[C@@H](C)CF ZINC000308641499 384888147 /nfs/dbraw/zinc/88/81/47/384888147.db2.gz DZMAELWJHZQFJO-ZJUUUORDSA-N 0 3 215.337 3.017 20 0 BGADHN CC(C)C(C)(C)NCc1ncc(Cl)s1 ZINC000308653511 348000147 /nfs/dbraw/zinc/00/01/47/348000147.db2.gz MKMSSGKWAWFUOA-UHFFFAOYSA-N 0 3 232.780 3.321 20 0 BGADHN CC(C)CNC1(C(F)F)CCCCC1 ZINC000308682391 388447760 /nfs/dbraw/zinc/44/77/60/388447760.db2.gz XYLDLVIPZMVKCL-UHFFFAOYSA-N 0 3 205.292 3.200 20 0 BGADHN CC(C)(C)OCCNCc1ccc(C2CC2)cc1 ZINC000308692787 323176775 /nfs/dbraw/zinc/17/67/75/323176775.db2.gz LWUUFNHWPOFPLZ-UHFFFAOYSA-N 0 3 247.382 3.469 20 0 BGADHN CC(C)(C)OCCNCc1ccccc1C1CC1 ZINC000308694392 491137805 /nfs/dbraw/zinc/13/78/05/491137805.db2.gz OLCJMNOFBJIVDU-UHFFFAOYSA-N 0 3 247.382 3.469 20 0 BGADHN CC(C)(C)OCCN[C@@H]1CCCc2occc21 ZINC000308695137 348073765 /nfs/dbraw/zinc/07/37/65/348073765.db2.gz PLFNTMYDPWPIPT-GFCCVEGCSA-N 0 3 237.343 3.062 20 0 BGADHN CC(C)(C)OCCN[C@H]1CCCc2occc21 ZINC000308695138 487846165 /nfs/dbraw/zinc/84/61/65/487846165.db2.gz PLFNTMYDPWPIPT-LBPRGKRZSA-N 0 3 237.343 3.062 20 0 BGADHN Cc1cccc(CNCCOC(C)(C)C)c1F ZINC000308696717 326137478 /nfs/dbraw/zinc/13/74/78/326137478.db2.gz RPRJCTPCIYGQPW-UHFFFAOYSA-N 0 3 239.334 3.039 20 0 BGADHN Nc1c(F)cccc1CN1CCC2(CCC2)CC1 ZINC000308698070 384930734 /nfs/dbraw/zinc/93/07/34/384930734.db2.gz PBVORFLCFOPDHW-UHFFFAOYSA-N 0 3 248.345 3.174 20 0 BGADHN CCC(C)(C)OCCNC/C=C/c1ccccc1 ZINC000308698566 528591860 /nfs/dbraw/zinc/59/18/60/528591860.db2.gz VDVLXAWAJYYJRG-DHZHZOJOSA-N 0 3 247.382 3.495 20 0 BGADHN CCC(C)(C)OCCNC/C=C\c1ccccc1 ZINC000308698572 528591053 /nfs/dbraw/zinc/59/10/53/528591053.db2.gz VDVLXAWAJYYJRG-FLIBITNWSA-N 0 3 247.382 3.495 20 0 BGADHN Cc1cc(CN[C@@]2(C)CCCC[C@@H]2C)on1 ZINC000308705188 346905862 /nfs/dbraw/zinc/90/58/62/346905862.db2.gz FYVDJLOVEQLCIY-GWCFXTLKSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1cc(CN[C@]2(C)CCCC[C@@H]2C)on1 ZINC000308705190 178042064 /nfs/dbraw/zinc/04/20/64/178042064.db2.gz FYVDJLOVEQLCIY-GXFFZTMASA-N 0 3 222.332 3.041 20 0 BGADHN Cc1cc(CN[C@@]2(C)CCCC[C@H]2C)on1 ZINC000308705191 178037569 /nfs/dbraw/zinc/03/75/69/178037569.db2.gz FYVDJLOVEQLCIY-MFKMUULPSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1cc(CN[C@]2(C)CCCC[C@H]2C)on1 ZINC000308705193 178042118 /nfs/dbraw/zinc/04/21/18/178042118.db2.gz FYVDJLOVEQLCIY-ZWNOBZJWSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1nc(CN[C@@]2(C)CCCC[C@@H]2C)oc1C ZINC000308716409 385022197 /nfs/dbraw/zinc/02/21/97/385022197.db2.gz WCHHGIMGNIRLOQ-HZMBPMFUSA-N 0 3 236.359 3.350 20 0 BGADHN Cc1nc(CN[C@]2(C)CCCC[C@@H]2C)oc1C ZINC000308716411 385020559 /nfs/dbraw/zinc/02/05/59/385020559.db2.gz WCHHGIMGNIRLOQ-IINYFYTJSA-N 0 3 236.359 3.350 20 0 BGADHN Cc1nc(CN[C@]2(C)CCCC[C@H]2C)oc1C ZINC000308716412 385020853 /nfs/dbraw/zinc/02/08/53/385020853.db2.gz WCHHGIMGNIRLOQ-QMTHXVAHSA-N 0 3 236.359 3.350 20 0 BGADHN Cc1nc(CN[C@@]2(C)CCCC[C@H]2C)oc1C ZINC000308716413 385021694 /nfs/dbraw/zinc/02/16/94/385021694.db2.gz WCHHGIMGNIRLOQ-YGRLFVJLSA-N 0 3 236.359 3.350 20 0 BGADHN CS[C@H]1CC[C@H]1NCc1ccc(Cl)s1 ZINC000308717199 385024741 /nfs/dbraw/zinc/02/47/41/385024741.db2.gz BTLDZCGFVCERGB-BDAKNGLRSA-N 0 3 247.816 3.385 20 0 BGADHN CS[C@@H]1CC[C@@H]1NCc1ccc(Cl)s1 ZINC000308717202 385025233 /nfs/dbraw/zinc/02/52/33/385025233.db2.gz BTLDZCGFVCERGB-DTWKUNHWSA-N 0 3 247.816 3.385 20 0 BGADHN CS[C@H]1CC[C@@H]1NCc1ccc(Cl)s1 ZINC000308717207 385024126 /nfs/dbraw/zinc/02/41/26/385024126.db2.gz BTLDZCGFVCERGB-IUCAKERBSA-N 0 3 247.816 3.385 20 0 BGADHN CS[C@@H]1CC[C@H]1NCc1ccc(Cl)s1 ZINC000308717217 385023988 /nfs/dbraw/zinc/02/39/88/385023988.db2.gz BTLDZCGFVCERGB-RKDXNWHRSA-N 0 3 247.816 3.385 20 0 BGADHN C[C@H]1CCCC[C@@]1(C)NCc1cscn1 ZINC000308719686 177085606 /nfs/dbraw/zinc/08/56/06/177085606.db2.gz BDMGQVMIOXGCSW-CMPLNLGQSA-N 0 3 224.373 3.202 20 0 BGADHN C[C@H]1CCCC[C@]1(C)NCc1cscn1 ZINC000308719687 177090654 /nfs/dbraw/zinc/09/06/54/177090654.db2.gz BDMGQVMIOXGCSW-JQWIXIFHSA-N 0 3 224.373 3.202 20 0 BGADHN C[C@@H]1CCCC[C@]1(C)NCc1cscn1 ZINC000308719688 176090494 /nfs/dbraw/zinc/09/04/94/176090494.db2.gz BDMGQVMIOXGCSW-PWSUYJOCSA-N 0 3 224.373 3.202 20 0 BGADHN C[C@@H]1CCCC[C@@]1(C)NCc1cscn1 ZINC000308719689 176083402 /nfs/dbraw/zinc/08/34/02/176083402.db2.gz BDMGQVMIOXGCSW-ZYHUDNBSSA-N 0 3 224.373 3.202 20 0 BGADHN Cc1cccc(C)c1CNCCOC(C)(C)C ZINC000308722687 323177343 /nfs/dbraw/zinc/17/73/43/323177343.db2.gz FAGUDZCBOUBNDA-UHFFFAOYSA-N 0 3 235.371 3.208 20 0 BGADHN Cc1ccc(F)c(CNCCOC(C)(C)C)c1 ZINC000308725317 388363529 /nfs/dbraw/zinc/36/35/29/388363529.db2.gz GGMITMLUGNGCAM-UHFFFAOYSA-N 0 3 239.334 3.039 20 0 BGADHN Cc1cccc(CNCCOC(C)(C)C)c1C ZINC000308725874 259367155 /nfs/dbraw/zinc/36/71/55/259367155.db2.gz GOAUSOYBDRDDHQ-UHFFFAOYSA-N 0 3 235.371 3.208 20 0 BGADHN Cc1cc(CNCCOC(C)(C)C)ccc1F ZINC000308726893 259670355 /nfs/dbraw/zinc/67/03/55/259670355.db2.gz GYZONSMPABSPQX-UHFFFAOYSA-N 0 3 239.334 3.039 20 0 BGADHN Cc1cc(C)cc(CNCCOC(C)(C)C)c1 ZINC000308727030 388363255 /nfs/dbraw/zinc/36/32/55/388363255.db2.gz HCFONHAHRXTPTQ-UHFFFAOYSA-N 0 3 235.371 3.208 20 0 BGADHN Cc1cc(CNC(C)(C)CF)c(C)s1 ZINC000308729337 323177287 /nfs/dbraw/zinc/17/72/87/323177287.db2.gz ILJJZFPXDHZCHF-UHFFFAOYSA-N 0 3 215.337 3.203 20 0 BGADHN CCC(C)(C)OCCNCc1ccc(F)cc1 ZINC000308730632 528591210 /nfs/dbraw/zinc/59/12/10/528591210.db2.gz JFVAUFDJQVBPNX-UHFFFAOYSA-N 0 3 239.334 3.121 20 0 BGADHN Cc1ccc(CNCCOC(C)(C)C)cc1C ZINC000308731840 259340188 /nfs/dbraw/zinc/34/01/88/259340188.db2.gz JVHVQHHIFILUHX-UHFFFAOYSA-N 0 3 235.371 3.208 20 0 BGADHN CSC[C@@H](C)NCc1ccc(SC)s1 ZINC000308732480 384095050 /nfs/dbraw/zinc/09/50/50/384095050.db2.gz KCYYIHCYETUBLZ-MRVPVSSYSA-N 0 3 247.454 3.311 20 0 BGADHN CSC[C@H](C)NCc1ccc(SC)s1 ZINC000308732481 384095179 /nfs/dbraw/zinc/09/51/79/384095179.db2.gz KCYYIHCYETUBLZ-QMMMGPOBSA-N 0 3 247.454 3.311 20 0 BGADHN Cc1ccc(C)c(CNCCOC(C)(C)C)c1 ZINC000308732519 342865803 /nfs/dbraw/zinc/86/58/03/342865803.db2.gz KFHORFURQUEUBU-UHFFFAOYSA-N 0 3 235.371 3.208 20 0 BGADHN Cc1ccc2c(c1)[C@@H](NCCOC(C)(C)C)CC2 ZINC000308736346 323177552 /nfs/dbraw/zinc/17/75/52/323177552.db2.gz LOIZFOGHIKQXQR-HNNXBMFYSA-N 0 3 247.382 3.387 20 0 BGADHN Cc1ccc2c(c1)[C@H](NCCOC(C)(C)C)CC2 ZINC000308736347 323177571 /nfs/dbraw/zinc/17/75/71/323177571.db2.gz LOIZFOGHIKQXQR-OAHLLOKOSA-N 0 3 247.382 3.387 20 0 BGADHN Cc1ccc(F)cc1CNCCOC(C)(C)C ZINC000308737533 323177578 /nfs/dbraw/zinc/17/75/78/323177578.db2.gz MMYFGHUQVNHWLJ-UHFFFAOYSA-N 0 3 239.334 3.039 20 0 BGADHN CC(C)(C)OCCNCc1coc2ccccc12 ZINC000308738234 491137966 /nfs/dbraw/zinc/13/79/66/491137966.db2.gz MVNATQSHTJXWOX-UHFFFAOYSA-N 0 3 247.338 3.338 20 0 BGADHN Cc1cc(F)ccc1CNCCOC(C)(C)C ZINC000308738684 348274521 /nfs/dbraw/zinc/27/45/21/348274521.db2.gz NAXCRVQBEKQJNH-UHFFFAOYSA-N 0 3 239.334 3.039 20 0 BGADHN Cc1ccc(CNCCOC(C)(C)C)c(C)c1 ZINC000308739859 259671126 /nfs/dbraw/zinc/67/11/26/259671126.db2.gz NUTDQGQPRGCLHM-UHFFFAOYSA-N 0 3 235.371 3.208 20 0 BGADHN CCC(C)(C)OCCNCc1cccc(F)c1 ZINC000308740574 528591258 /nfs/dbraw/zinc/59/12/58/528591258.db2.gz OMGPLUVZZFQGMZ-UHFFFAOYSA-N 0 3 239.334 3.121 20 0 BGADHN Clc1cscc1CNC[C@H]1CCSC1 ZINC000308743307 538117308 /nfs/dbraw/zinc/11/73/08/538117308.db2.gz PYQGKINPYGYMFU-MRVPVSSYSA-N 0 3 247.816 3.244 20 0 BGADHN Clc1cscc1CNC[C@@H]1CCSC1 ZINC000308743308 491137869 /nfs/dbraw/zinc/13/78/69/491137869.db2.gz PYQGKINPYGYMFU-QMMMGPOBSA-N 0 3 247.816 3.244 20 0 BGADHN Cc1ccc(CNCCOC(C)(C)C)cc1F ZINC000308743865 388362995 /nfs/dbraw/zinc/36/29/95/388362995.db2.gz QHJBPZUYJQLILU-UHFFFAOYSA-N 0 3 239.334 3.039 20 0 BGADHN CCC(C)(C)OCCNCc1ccccc1F ZINC000308744581 528591649 /nfs/dbraw/zinc/59/16/49/528591649.db2.gz QSRLKIDTDXLSQA-UHFFFAOYSA-N 0 3 239.334 3.121 20 0 BGADHN C[C@H]1CCCC[C@@]1(C)NCc1nccs1 ZINC000308747306 385061206 /nfs/dbraw/zinc/06/12/06/385061206.db2.gz GSESOQMETJLIRT-CMPLNLGQSA-N 0 3 224.373 3.202 20 0 BGADHN C[C@H]1CCCC[C@]1(C)NCc1nccs1 ZINC000308747309 177090290 /nfs/dbraw/zinc/09/02/90/177090290.db2.gz GSESOQMETJLIRT-JQWIXIFHSA-N 0 3 224.373 3.202 20 0 BGADHN C[C@@H]1CCCC[C@]1(C)NCc1nccs1 ZINC000308747311 176089946 /nfs/dbraw/zinc/08/99/46/176089946.db2.gz GSESOQMETJLIRT-PWSUYJOCSA-N 0 3 224.373 3.202 20 0 BGADHN C[C@@H]1CCCC[C@@]1(C)NCc1nccs1 ZINC000308747313 176083839 /nfs/dbraw/zinc/08/38/39/176083839.db2.gz GSESOQMETJLIRT-ZYHUDNBSSA-N 0 3 224.373 3.202 20 0 BGADHN CS[C@@H]1CC[C@H]1NCc1cscc1Cl ZINC000308748653 631361370 /nfs/dbraw/zinc/36/13/70/631361370.db2.gz SQWVAWNCHNPHLY-NXEZZACHSA-N 0 3 247.816 3.385 20 0 BGADHN CS[C@H]1CC[C@@H]1NCc1cscc1Cl ZINC000308748660 631564154 /nfs/dbraw/zinc/56/41/54/631564154.db2.gz SQWVAWNCHNPHLY-UWVGGRQHSA-N 0 3 247.816 3.385 20 0 BGADHN CS[C@@H]1CC[C@@H]1NCc1cscc1Cl ZINC000308748668 631564654 /nfs/dbraw/zinc/56/46/54/631564654.db2.gz SQWVAWNCHNPHLY-VHSXEESVSA-N 0 3 247.816 3.385 20 0 BGADHN CS[C@H]1CC[C@H]1NCc1cscc1Cl ZINC000308748672 631565023 /nfs/dbraw/zinc/56/50/23/631565023.db2.gz SQWVAWNCHNPHLY-ZJUUUORDSA-N 0 3 247.816 3.385 20 0 BGADHN CC(C)(C)OCCNCc1cccc2cc[nH]c21 ZINC000308750596 388363281 /nfs/dbraw/zinc/36/32/81/388363281.db2.gz UJVLGVREAFYLAF-UHFFFAOYSA-N 0 3 246.354 3.073 20 0 BGADHN CC(C)(CNCc1nccs1)C1=CCCC1 ZINC000308751744 409901624 /nfs/dbraw/zinc/90/16/24/409901624.db2.gz AOTKCDBFQQEBSS-UHFFFAOYSA-N 0 3 236.384 3.369 20 0 BGADHN CCn1ccnc1CNCC(C)(C)C1=CCCC1 ZINC000308753655 323177744 /nfs/dbraw/zinc/17/77/44/323177744.db2.gz GLSUWKIZFPXJGW-UHFFFAOYSA-N 0 3 247.386 3.129 20 0 BGADHN CC(C)(C)OCCNCc1cccc(C2CC2)c1 ZINC000308753902 348446679 /nfs/dbraw/zinc/44/66/79/348446679.db2.gz VMODQDSXHCBAOA-UHFFFAOYSA-N 0 3 247.382 3.469 20 0 BGADHN CC(C)(CNCc1ccccn1)C1=CCCC1 ZINC000308754404 527171118 /nfs/dbraw/zinc/17/11/18/527171118.db2.gz IDNMKXNEEAUYOI-UHFFFAOYSA-N 0 3 230.355 3.308 20 0 BGADHN CC[C@H](NCc1ccc(Cl)o1)C1CC1 ZINC000308755246 491137985 /nfs/dbraw/zinc/13/79/85/491137985.db2.gz WDACIWMMKMLINK-JTQLQIEISA-N 0 3 213.708 3.211 20 0 BGADHN CC[C@@H](NCc1ccc(Cl)o1)C1CC1 ZINC000308755250 491137989 /nfs/dbraw/zinc/13/79/89/491137989.db2.gz WDACIWMMKMLINK-SNVBAGLBSA-N 0 3 213.708 3.211 20 0 BGADHN C[C@@H](NCC(C)(C)C1=CCCC1)c1nccn1C ZINC000308758966 229248280 /nfs/dbraw/zinc/24/82/80/229248280.db2.gz SXPLNYUFHOBTFV-GFCCVEGCSA-N 0 3 247.386 3.207 20 0 BGADHN C[C@H](NCC(C)(C)C1=CCCC1)c1nccn1C ZINC000308758967 229248592 /nfs/dbraw/zinc/24/85/92/229248592.db2.gz SXPLNYUFHOBTFV-LBPRGKRZSA-N 0 3 247.386 3.207 20 0 BGADHN CC(C)(CNCc1cncs1)C1=CCCC1 ZINC000308760105 527173045 /nfs/dbraw/zinc/17/30/45/527173045.db2.gz VRMXDZCCGYKBSG-UHFFFAOYSA-N 0 3 236.384 3.369 20 0 BGADHN CC(C)(CNCc1cscn1)C1=CCCC1 ZINC000308760122 527172785 /nfs/dbraw/zinc/17/27/85/527172785.db2.gz VXNTVICENATPNK-UHFFFAOYSA-N 0 3 236.384 3.369 20 0 BGADHN CC(C)(C)OCCNCc1ccc2cc[nH]c2c1 ZINC000308760962 342870048 /nfs/dbraw/zinc/87/00/48/342870048.db2.gz YAQISAFKBRUEFI-UHFFFAOYSA-N 0 3 246.354 3.073 20 0 BGADHN CC(C)(C)OCCNCc1ccc2[nH]ccc2c1 ZINC000308762585 346910363 /nfs/dbraw/zinc/91/03/63/346910363.db2.gz YUFWKHZFKKMPII-UHFFFAOYSA-N 0 3 246.354 3.073 20 0 BGADHN CS[C@@H]1CC[C@@H]1N[C@H](C)c1ccsc1 ZINC000308764576 370163319 /nfs/dbraw/zinc/16/33/19/370163319.db2.gz ZSDUUDUDDVXMFC-DVVUODLYSA-N 0 3 227.398 3.293 20 0 BGADHN CS[C@@H]1CC[C@H]1N[C@H](C)c1ccsc1 ZINC000308764577 370163615 /nfs/dbraw/zinc/16/36/15/370163615.db2.gz ZSDUUDUDDVXMFC-FBIMIBRVSA-N 0 3 227.398 3.293 20 0 BGADHN CS[C@@H]1CC[C@@H]1N[C@@H](C)c1ccsc1 ZINC000308764579 370163155 /nfs/dbraw/zinc/16/31/55/370163155.db2.gz ZSDUUDUDDVXMFC-INTQDDNPSA-N 0 3 227.398 3.293 20 0 BGADHN CS[C@@H]1CC[C@H]1N[C@@H](C)c1ccsc1 ZINC000308764581 370163500 /nfs/dbraw/zinc/16/35/00/370163500.db2.gz ZSDUUDUDDVXMFC-JMJZKYOTSA-N 0 3 227.398 3.293 20 0 BGADHN C[C@@H](NCC(C)(C)C1=CCCC1)c1ccncn1 ZINC000308765963 229248357 /nfs/dbraw/zinc/24/83/57/229248357.db2.gz DFNBBUCPURNGRO-GFCCVEGCSA-N 0 3 245.370 3.264 20 0 BGADHN C[C@H](NCC(C)(C)C1=CCCC1)c1ccncn1 ZINC000308765964 229248116 /nfs/dbraw/zinc/24/81/16/229248116.db2.gz DFNBBUCPURNGRO-LBPRGKRZSA-N 0 3 245.370 3.264 20 0 BGADHN Cc1cc(CNCC(C)(C)C2=CCCC2)on1 ZINC000308766840 385086415 /nfs/dbraw/zinc/08/64/15/385086415.db2.gz SPXJNLCSCLRTCW-UHFFFAOYSA-N 0 3 234.343 3.209 20 0 BGADHN C[C@@H](NCC(C)(C)C1=CCCC1)c1cnccn1 ZINC000308767416 229247872 /nfs/dbraw/zinc/24/78/72/229247872.db2.gz UERHEHULTFALEA-GFCCVEGCSA-N 0 3 245.370 3.264 20 0 BGADHN C[C@H](NCC(C)(C)C1=CCCC1)c1cnccn1 ZINC000308767419 229248170 /nfs/dbraw/zinc/24/81/70/229248170.db2.gz UERHEHULTFALEA-LBPRGKRZSA-N 0 3 245.370 3.264 20 0 BGADHN CC(C)(CNCc1cncc(F)c1)C1=CCCC1 ZINC000308767597 527173402 /nfs/dbraw/zinc/17/34/02/527173402.db2.gz RKDIIIQCVSJSMA-UHFFFAOYSA-N 0 3 248.345 3.447 20 0 BGADHN CC(C)(CN[C@@H]1CCn2ccnc21)C1=CCCC1 ZINC000308771221 388449072 /nfs/dbraw/zinc/44/90/72/388449072.db2.gz RZYWUZJBPOMJCO-CYBMUJFWSA-N 0 3 245.370 3.054 20 0 BGADHN CC(C)(CN[C@H]1CCn2ccnc21)C1=CCCC1 ZINC000308771222 388448989 /nfs/dbraw/zinc/44/89/89/388448989.db2.gz RZYWUZJBPOMJCO-ZDUSSCGKSA-N 0 3 245.370 3.054 20 0 BGADHN C/C=C\CN[C@@H](C)c1ccc(CC)cc1 ZINC000308773138 342870707 /nfs/dbraw/zinc/87/07/07/342870707.db2.gz YTNORBAPMMLLMS-RNZFLTOJSA-N 0 3 203.329 3.476 20 0 BGADHN C/C=C\CN[C@H](C)c1ccc(CC)cc1 ZINC000308773139 342870736 /nfs/dbraw/zinc/87/07/36/342870736.db2.gz YTNORBAPMMLLMS-TXNVCOODSA-N 0 3 203.329 3.476 20 0 BGADHN CC(C)=CCNC/C=C\c1ccccc1 ZINC000308779854 527442578 /nfs/dbraw/zinc/44/25/78/527442578.db2.gz QUJZEFJIRHMDFZ-TWGQIWQCSA-N 0 3 201.313 3.256 20 0 BGADHN CCCC[C@@H](NCCF)c1ccccc1 ZINC000308783452 346912435 /nfs/dbraw/zinc/91/24/35/346912435.db2.gz DTKSPJGGELCJTK-CYBMUJFWSA-N 0 3 209.308 3.477 20 0 BGADHN CCCC[C@H](NCCF)c1ccccc1 ZINC000308783453 169011836 /nfs/dbraw/zinc/01/18/36/169011836.db2.gz DTKSPJGGELCJTK-ZDUSSCGKSA-N 0 3 209.308 3.477 20 0 BGADHN C[C@@H](CCC(C)(C)C)NCc1nccs1 ZINC000308789202 384288790 /nfs/dbraw/zinc/28/87/90/384288790.db2.gz ADRZUCSMDXPIFU-JTQLQIEISA-N 0 3 226.389 3.448 20 0 BGADHN C[C@H](CCC(C)(C)C)NCc1nccs1 ZINC000308789203 385104261 /nfs/dbraw/zinc/10/42/61/385104261.db2.gz ADRZUCSMDXPIFU-SNVBAGLBSA-N 0 3 226.389 3.448 20 0 BGADHN CC(C)C[C@@H](NCCF)c1ccccc1 ZINC000308798173 385112832 /nfs/dbraw/zinc/11/28/32/385112832.db2.gz LKJADRVZRXDQKO-CYBMUJFWSA-N 0 3 209.308 3.333 20 0 BGADHN CC(C)C[C@H](NCCF)c1ccccc1 ZINC000308798174 191125940 /nfs/dbraw/zinc/12/59/40/191125940.db2.gz LKJADRVZRXDQKO-ZDUSSCGKSA-N 0 3 209.308 3.333 20 0 BGADHN CC(C)c1ccc([C@@H](C)NCCF)cc1 ZINC000308810949 528131096 /nfs/dbraw/zinc/13/10/96/528131096.db2.gz QFPRHBODXJSHEJ-LLVKDONJSA-N 0 3 209.308 3.430 20 0 BGADHN CC(C)c1ccc([C@H](C)NCCF)cc1 ZINC000308810950 528140421 /nfs/dbraw/zinc/14/04/21/528140421.db2.gz QFPRHBODXJSHEJ-NSHDSACASA-N 0 3 209.308 3.430 20 0 BGADHN CCSCCN[C@@H]1CSc2ccccc21 ZINC000308812166 385182364 /nfs/dbraw/zinc/18/23/64/385182364.db2.gz OCVNRQMBARWONQ-LLVKDONJSA-N 0 3 239.409 3.176 20 0 BGADHN CCSCCN[C@H]1CSc2ccccc21 ZINC000308812168 385180013 /nfs/dbraw/zinc/18/00/13/385180013.db2.gz OCVNRQMBARWONQ-NSHDSACASA-N 0 3 239.409 3.176 20 0 BGADHN Cc1ccoc1CNC1CC(C(C)C)C1 ZINC000308814155 229250206 /nfs/dbraw/zinc/25/02/06/229250206.db2.gz AOJNOOJUZMEGSQ-UHFFFAOYSA-N 0 3 207.317 3.112 20 0 BGADHN C[C@H](NC1CCCCCC1)c1ccon1 ZINC000308817899 385188696 /nfs/dbraw/zinc/18/86/96/385188696.db2.gz BCQOSYQMXUNTLZ-JTQLQIEISA-N 0 3 208.305 3.048 20 0 BGADHN C[C@@H](NC1CCCCCC1)c1ccon1 ZINC000308817900 384306645 /nfs/dbraw/zinc/30/66/45/384306645.db2.gz BCQOSYQMXUNTLZ-SNVBAGLBSA-N 0 3 208.305 3.048 20 0 BGADHN Cc1cc(CN[C@H](C)CC(F)(F)F)cs1 ZINC000308820643 178037365 /nfs/dbraw/zinc/03/73/65/178037365.db2.gz GHNKKOWXEXRFTM-SSDOTTSWSA-N 0 3 237.290 3.487 20 0 BGADHN Cc1cc(CN[C@@H](C)CC(F)(F)F)cs1 ZINC000308820644 178029454 /nfs/dbraw/zinc/02/94/54/178029454.db2.gz GHNKKOWXEXRFTM-ZETCQYMHSA-N 0 3 237.290 3.487 20 0 BGADHN Cc1ccoc1CN[C@H]1CC[C@@H]1C(C)C ZINC000308825009 409907789 /nfs/dbraw/zinc/90/77/89/409907789.db2.gz DJDKKPLTBAURBX-NEPJUHHUSA-N 0 3 207.317 3.112 20 0 BGADHN Cc1ccoc1CN[C@@H]1CC[C@H]1C(C)C ZINC000308825011 409908782 /nfs/dbraw/zinc/90/87/82/409908782.db2.gz DJDKKPLTBAURBX-NWDGAFQWSA-N 0 3 207.317 3.112 20 0 BGADHN Cc1ccoc1CN[C@H]1CC[C@H]1C(C)C ZINC000308825013 409908584 /nfs/dbraw/zinc/90/85/84/409908584.db2.gz DJDKKPLTBAURBX-RYUDHWBXSA-N 0 3 207.317 3.112 20 0 BGADHN Cc1ccoc1CN[C@@H]1CC[C@@H]1C(C)C ZINC000308825014 409909066 /nfs/dbraw/zinc/90/90/66/409909066.db2.gz DJDKKPLTBAURBX-VXGBXAGGSA-N 0 3 207.317 3.112 20 0 BGADHN CCc1ccc([C@@H](CC)NCCF)cc1 ZINC000308825216 384315721 /nfs/dbraw/zinc/31/57/21/384315721.db2.gz RBRHPUHICWKDSL-CYBMUJFWSA-N 0 3 209.308 3.259 20 0 BGADHN CCc1ccc([C@H](CC)NCCF)cc1 ZINC000308825219 384315619 /nfs/dbraw/zinc/31/56/19/384315619.db2.gz RBRHPUHICWKDSL-ZDUSSCGKSA-N 0 3 209.308 3.259 20 0 BGADHN C[C@H](NCC1CC(C)(C)C1)c1ccco1 ZINC000308825266 323179370 /nfs/dbraw/zinc/17/93/70/323179370.db2.gz ADROYWFCTMUIKW-JTQLQIEISA-N 0 3 207.317 3.366 20 0 BGADHN C[C@@H](NCC1CC(C)(C)C1)c1ccco1 ZINC000308825269 323179284 /nfs/dbraw/zinc/17/92/84/323179284.db2.gz ADROYWFCTMUIKW-SNVBAGLBSA-N 0 3 207.317 3.366 20 0 BGADHN C[C@H](CN[C@H](C)c1ccoc1)C(F)(F)F ZINC000308825900 323179467 /nfs/dbraw/zinc/17/94/67/323179467.db2.gz DRAWZFJQSQXAQA-HTQZYQBOSA-N 0 3 221.222 3.129 20 0 BGADHN C[C@@H](NC[C@H](C)C(F)(F)F)c1ccoc1 ZINC000308825902 323179449 /nfs/dbraw/zinc/17/94/49/323179449.db2.gz DRAWZFJQSQXAQA-JGVFFNPUSA-N 0 3 221.222 3.129 20 0 BGADHN C[C@H](CN[C@@H](C)c1ccoc1)C(F)(F)F ZINC000308825903 323179485 /nfs/dbraw/zinc/17/94/85/323179485.db2.gz DRAWZFJQSQXAQA-SFYZADRCSA-N 0 3 221.222 3.129 20 0 BGADHN C[C@@H](CN[C@@H](C)c1ccoc1)C(F)(F)F ZINC000308825905 323179444 /nfs/dbraw/zinc/17/94/44/323179444.db2.gz DRAWZFJQSQXAQA-YUMQZZPRSA-N 0 3 221.222 3.129 20 0 BGADHN C[C@H](CCC1CC1)N[C@H](C)c1cscn1 ZINC000308827653 323179472 /nfs/dbraw/zinc/17/94/72/323179472.db2.gz FCOYGOSXNVXBKC-NXEZZACHSA-N 0 3 224.373 3.372 20 0 BGADHN C[C@@H](CCC1CC1)N[C@@H](C)c1cscn1 ZINC000308827654 323179500 /nfs/dbraw/zinc/17/95/00/323179500.db2.gz FCOYGOSXNVXBKC-UWVGGRQHSA-N 0 3 224.373 3.372 20 0 BGADHN C[C@@H](N[C@@H](C)CCC1CC1)c1cscn1 ZINC000308827655 323179461 /nfs/dbraw/zinc/17/94/61/323179461.db2.gz FCOYGOSXNVXBKC-VHSXEESVSA-N 0 3 224.373 3.372 20 0 BGADHN C[C@H](CCC1CC1)N[C@@H](C)c1cscn1 ZINC000308827656 323179491 /nfs/dbraw/zinc/17/94/91/323179491.db2.gz FCOYGOSXNVXBKC-ZJUUUORDSA-N 0 3 224.373 3.372 20 0 BGADHN CC(C)=CCNCc1cnc(C2CC2)s1 ZINC000308827665 323179451 /nfs/dbraw/zinc/17/94/51/323179451.db2.gz FCWDFGQSNZDZJX-UHFFFAOYSA-N 0 3 222.357 3.076 20 0 BGADHN C[C@@H](CF)NCc1ccccc1C1CC1 ZINC000308828213 409908175 /nfs/dbraw/zinc/90/81/75/409908175.db2.gz FEGLSDNJZDVEPR-JTQLQIEISA-N 0 3 207.292 3.012 20 0 BGADHN C[C@H](CF)NCc1ccccc1C1CC1 ZINC000308828216 491138342 /nfs/dbraw/zinc/13/83/42/491138342.db2.gz FEGLSDNJZDVEPR-SNVBAGLBSA-N 0 3 207.292 3.012 20 0 BGADHN Cc1ccc(CNC[C@@H](C)C(F)(F)F)s1 ZINC000308828583 384329289 /nfs/dbraw/zinc/32/92/89/384329289.db2.gz FHIXDRXXAZWRSV-SSDOTTSWSA-N 0 3 237.290 3.345 20 0 BGADHN Cc1ccc(CNC[C@H](C)C(F)(F)F)s1 ZINC000308828586 384329046 /nfs/dbraw/zinc/32/90/46/384329046.db2.gz FHIXDRXXAZWRSV-ZETCQYMHSA-N 0 3 237.290 3.345 20 0 BGADHN Cc1ccsc1CNC[C@@H](C)C(F)(F)F ZINC000308828932 384329787 /nfs/dbraw/zinc/32/97/87/384329787.db2.gz FLHPNAGOJURVOU-MRVPVSSYSA-N 0 3 237.290 3.345 20 0 BGADHN Cc1ccsc1CNC[C@H](C)C(F)(F)F ZINC000308828934 384329619 /nfs/dbraw/zinc/32/96/19/384329619.db2.gz FLHPNAGOJURVOU-QMMMGPOBSA-N 0 3 237.290 3.345 20 0 BGADHN CC(C)CC[C@@H](C)N[C@H](C)c1ccon1 ZINC000308829041 384329025 /nfs/dbraw/zinc/32/90/25/384329025.db2.gz FNXMWIGRBNWCMU-GHMZBOCLSA-N 0 3 210.321 3.150 20 0 BGADHN CC(C)CC[C@@H](C)N[C@@H](C)c1ccon1 ZINC000308829043 166894285 /nfs/dbraw/zinc/89/42/85/166894285.db2.gz FNXMWIGRBNWCMU-MNOVXSKESA-N 0 3 210.321 3.150 20 0 BGADHN CC(C)CC[C@H](C)N[C@@H](C)c1ccon1 ZINC000308829045 342855634 /nfs/dbraw/zinc/85/56/34/342855634.db2.gz FNXMWIGRBNWCMU-QWRGUYRKSA-N 0 3 210.321 3.150 20 0 BGADHN CC(C)CC[C@H](C)N[C@H](C)c1ccon1 ZINC000308829047 342855775 /nfs/dbraw/zinc/85/57/75/342855775.db2.gz FNXMWIGRBNWCMU-WDEREUQCSA-N 0 3 210.321 3.150 20 0 BGADHN CC(C)=CCNCc1cnc(C(C)C)s1 ZINC000308832310 188104969 /nfs/dbraw/zinc/10/49/69/188104969.db2.gz GSBLLDQRYHWEDZ-UHFFFAOYSA-N 0 3 224.373 3.322 20 0 BGADHN C[C@H](NCCCCF)c1ccccc1F ZINC000308833759 384337472 /nfs/dbraw/zinc/33/74/72/384337472.db2.gz VKXSFGPVJXFHLC-JTQLQIEISA-N 0 3 213.271 3.226 20 0 BGADHN C[C@@H](NCCCCF)c1ccccc1F ZINC000308833761 384338358 /nfs/dbraw/zinc/33/83/58/384338358.db2.gz VKXSFGPVJXFHLC-SNVBAGLBSA-N 0 3 213.271 3.226 20 0 BGADHN Cc1ccoc1CN[C@H](C)CC1CCC1 ZINC000308837363 409911241 /nfs/dbraw/zinc/91/12/41/409911241.db2.gz LVHLMVRLXQPKHH-LLVKDONJSA-N 0 3 207.317 3.256 20 0 BGADHN Cc1ccoc1CN[C@@H](C)CC1CCC1 ZINC000308837364 409909797 /nfs/dbraw/zinc/90/97/97/409909797.db2.gz LVHLMVRLXQPKHH-NSHDSACASA-N 0 3 207.317 3.256 20 0 BGADHN CCSCCNCc1ccc(Cl)cc1F ZINC000308840381 385213579 /nfs/dbraw/zinc/21/35/79/385213579.db2.gz YAILAFAIOUWJBA-UHFFFAOYSA-N 0 3 247.766 3.322 20 0 BGADHN Cc1cc(CN[C@H]2CCC(F)(F)C2)cs1 ZINC000308844746 409915429 /nfs/dbraw/zinc/91/54/29/409915429.db2.gz OUCYQFYCWCFAQL-JTQLQIEISA-N 0 3 231.311 3.334 20 0 BGADHN Cc1cc(CN[C@@H]2CCC(F)(F)C2)cs1 ZINC000308844749 409915227 /nfs/dbraw/zinc/91/52/27/409915227.db2.gz OUCYQFYCWCFAQL-SNVBAGLBSA-N 0 3 231.311 3.334 20 0 BGADHN CO[C@@H]1CCC[C@H]1NCc1ccsc1Cl ZINC000308846154 229251928 /nfs/dbraw/zinc/25/19/28/229251928.db2.gz AHSLCOGVFWZPIS-NXEZZACHSA-N 0 3 245.775 3.059 20 0 BGADHN CO[C@H]1CC[C@@H](NCc2sccc2Cl)C1 ZINC000308846970 385208222 /nfs/dbraw/zinc/20/82/22/385208222.db2.gz FRONLXPENQBRAU-BDAKNGLRSA-N 0 3 245.775 3.059 20 0 BGADHN CO[C@@H]1CC[C@H](NCc2sccc2Cl)C1 ZINC000308846971 385207224 /nfs/dbraw/zinc/20/72/24/385207224.db2.gz FRONLXPENQBRAU-DTWKUNHWSA-N 0 3 245.775 3.059 20 0 BGADHN CO[C@H]1CC[C@H](NCc2sccc2Cl)C1 ZINC000308846972 385208301 /nfs/dbraw/zinc/20/83/01/385208301.db2.gz FRONLXPENQBRAU-IUCAKERBSA-N 0 3 245.775 3.059 20 0 BGADHN CO[C@@H]1CC[C@@H](NCc2sccc2Cl)C1 ZINC000308846973 385206807 /nfs/dbraw/zinc/20/68/07/385206807.db2.gz FRONLXPENQBRAU-RKDXNWHRSA-N 0 3 245.775 3.059 20 0 BGADHN CC(C)(CNCc1cccs1)C(F)(F)F ZINC000308847255 348854291 /nfs/dbraw/zinc/85/42/91/348854291.db2.gz MRTZZSHZOZAREM-UHFFFAOYSA-N 0 3 237.290 3.426 20 0 BGADHN CC(C)OC[C@@H](C)N[C@H](C)c1ccsc1 ZINC000308848085 487555869 /nfs/dbraw/zinc/55/58/69/487555869.db2.gz MYHAMCGMNOSIRF-GHMZBOCLSA-N 0 3 227.373 3.212 20 0 BGADHN CC(C)OC[C@@H](C)N[C@@H](C)c1ccsc1 ZINC000308848086 487556068 /nfs/dbraw/zinc/55/60/68/487556068.db2.gz MYHAMCGMNOSIRF-MNOVXSKESA-N 0 3 227.373 3.212 20 0 BGADHN CC(C)OC[C@H](C)N[C@@H](C)c1ccsc1 ZINC000308848087 487556124 /nfs/dbraw/zinc/55/61/24/487556124.db2.gz MYHAMCGMNOSIRF-QWRGUYRKSA-N 0 3 227.373 3.212 20 0 BGADHN CC(C)OC[C@H](C)N[C@H](C)c1ccsc1 ZINC000308848088 487556000 /nfs/dbraw/zinc/55/60/00/487556000.db2.gz MYHAMCGMNOSIRF-WDEREUQCSA-N 0 3 227.373 3.212 20 0 BGADHN FC1(CN[C@H]2CCCc3sccc32)CC1 ZINC000308851401 323180186 /nfs/dbraw/zinc/18/01/86/323180186.db2.gz ATAFHKVTDPASBJ-JTQLQIEISA-N 0 3 225.332 3.217 20 0 BGADHN FC1(CN[C@@H]2CCCc3sccc32)CC1 ZINC000308851403 323180178 /nfs/dbraw/zinc/18/01/78/323180178.db2.gz ATAFHKVTDPASBJ-SNVBAGLBSA-N 0 3 225.332 3.217 20 0 BGADHN FC(F)(F)c1ccc(CNC2CCC2)s1 ZINC000308852794 385216610 /nfs/dbraw/zinc/21/66/10/385216610.db2.gz FRAZPQNKZGVSMA-UHFFFAOYSA-N 0 3 235.274 3.409 20 0 BGADHN CC(C)=CCNCc1cnc(Cl)c(C)c1 ZINC000308854276 631694592 /nfs/dbraw/zinc/69/45/92/631694592.db2.gz PKXVWWPORSAZGK-UHFFFAOYSA-N 0 3 224.735 3.099 20 0 BGADHN CC(C)=CCNCc1scnc1C1CC1 ZINC000308855232 711731970 /nfs/dbraw/zinc/73/19/70/711731970.db2.gz PPGPXPRDSJNPSP-UHFFFAOYSA-N 0 3 222.357 3.076 20 0 BGADHN FCCNC1(c2ccccc2)CCCC1 ZINC000308859558 385222918 /nfs/dbraw/zinc/22/29/18/385222918.db2.gz AQJBHQZERYXKKX-UHFFFAOYSA-N 0 3 207.292 3.015 20 0 BGADHN Fc1cccc(CNC[C@H]2CC2(Cl)Cl)c1 ZINC000308861595 631975675 /nfs/dbraw/zinc/97/56/75/631975675.db2.gz BSFZHISABLRROB-SECBINFHSA-N 0 3 248.128 3.109 20 0 BGADHN Fc1cccc(CNC[C@@H]2CC2(Cl)Cl)c1 ZINC000308861597 631974669 /nfs/dbraw/zinc/97/46/69/631974669.db2.gz BSFZHISABLRROB-VIFPVBQESA-N 0 3 248.128 3.109 20 0 BGADHN Clc1sccc1CNCCc1ccco1 ZINC000308861628 385228339 /nfs/dbraw/zinc/22/83/39/385228339.db2.gz BTSXFONFMNUNPM-UHFFFAOYSA-N 0 3 241.743 3.327 20 0 BGADHN Clc1sccc1CNC[C@@H]1CCCCO1 ZINC000308864654 385231069 /nfs/dbraw/zinc/23/10/69/385231069.db2.gz DLMZMGFQDXFPQP-JTQLQIEISA-N 0 3 245.775 3.060 20 0 BGADHN Clc1sccc1CNC[C@H]1CCCCO1 ZINC000308864655 385231086 /nfs/dbraw/zinc/23/10/86/385231086.db2.gz DLMZMGFQDXFPQP-SNVBAGLBSA-N 0 3 245.775 3.060 20 0 BGADHN CCc1ccc(CNCCC2(C)CC2)o1 ZINC000308864835 385230044 /nfs/dbraw/zinc/23/00/44/385230044.db2.gz ACQMKPXZGWCOOR-UHFFFAOYSA-N 0 3 207.317 3.122 20 0 BGADHN Clc1sccc1CN[C@H]1CCCOCC1 ZINC000308865266 385232150 /nfs/dbraw/zinc/23/21/50/385232150.db2.gz DZFOWKGYSWVYKY-JTQLQIEISA-N 0 3 245.775 3.060 20 0 BGADHN Clc1sccc1CN[C@@H]1CCCOCC1 ZINC000308865267 385230128 /nfs/dbraw/zinc/23/01/28/385230128.db2.gz DZFOWKGYSWVYKY-SNVBAGLBSA-N 0 3 245.775 3.060 20 0 BGADHN Clc1ccccc1CN[C@H]1[C@@H]2CCC[C@@H]21 ZINC000308867923 323180251 /nfs/dbraw/zinc/18/02/51/323180251.db2.gz HCTAFAQLLXTWOQ-PJXYFTJBSA-N 0 3 221.731 3.228 20 0 BGADHN Clc1ccsc1CNC[C@H]1CCC=CO1 ZINC000308872070 632036530 /nfs/dbraw/zinc/03/65/30/632036530.db2.gz KSBUNMUNZMDHDI-SECBINFHSA-N 0 3 243.759 3.184 20 0 BGADHN Clc1ccsc1CNC[C@@H]1CCC=CO1 ZINC000308872072 631701201 /nfs/dbraw/zinc/70/12/01/631701201.db2.gz KSBUNMUNZMDHDI-VIFPVBQESA-N 0 3 243.759 3.184 20 0 BGADHN Clc1ccsc1CNCCOC1CCC1 ZINC000308873860 632043002 /nfs/dbraw/zinc/04/30/02/632043002.db2.gz MBJGOHURROYCJV-UHFFFAOYSA-N 0 3 245.775 3.060 20 0 BGADHN C[C@@H](NCc1ccc(Cl)o1)[C@H]1CC1(C)C ZINC000308873909 491139493 /nfs/dbraw/zinc/13/94/93/491139493.db2.gz RUNBPDNRIYHCAL-PSASIEDQSA-N 0 3 227.735 3.457 20 0 BGADHN C[C@@H](NCc1ccc(Cl)o1)[C@@H]1CC1(C)C ZINC000308873921 491139489 /nfs/dbraw/zinc/13/94/89/491139489.db2.gz RUNBPDNRIYHCAL-SCZZXKLOSA-N 0 3 227.735 3.457 20 0 BGADHN C[C@H](NCc1ccc(Cl)o1)[C@H]1CC1(C)C ZINC000308873932 491139471 /nfs/dbraw/zinc/13/94/71/491139471.db2.gz RUNBPDNRIYHCAL-WCBMZHEXSA-N 0 3 227.735 3.457 20 0 BGADHN C[C@H](NCc1ccc(Cl)o1)[C@@H]1CC1(C)C ZINC000308873943 491139491 /nfs/dbraw/zinc/13/94/91/491139491.db2.gz RUNBPDNRIYHCAL-WPRPVWTQSA-N 0 3 227.735 3.457 20 0 BGADHN FC1(F)CCC[C@H](NCc2ccsc2)C1 ZINC000308876283 385241460 /nfs/dbraw/zinc/24/14/60/385241460.db2.gz NKJZKEWQILPHPT-JTQLQIEISA-N 0 3 231.311 3.416 20 0 BGADHN FC1(F)CCC[C@@H](NCc2ccsc2)C1 ZINC000308876285 385241323 /nfs/dbraw/zinc/24/13/23/385241323.db2.gz NKJZKEWQILPHPT-SNVBAGLBSA-N 0 3 231.311 3.416 20 0 BGADHN Cn1ccc(CNCc2cc(Cl)cs2)c1 ZINC000308876355 385242831 /nfs/dbraw/zinc/24/28/31/385242831.db2.gz NQGINNNYMCHFNT-UHFFFAOYSA-N 0 3 240.759 3.030 20 0 BGADHN Clc1ccc2c(c1)CC[C@H]2NC1CSC1 ZINC000308879010 385902880 /nfs/dbraw/zinc/90/28/80/385902880.db2.gz PAYSCZFHZJRUPE-GFCCVEGCSA-N 0 3 239.771 3.032 20 0 BGADHN Clc1ccc2c(c1)CC[C@@H]2NC1CSC1 ZINC000308879014 385903095 /nfs/dbraw/zinc/90/30/95/385903095.db2.gz PAYSCZFHZJRUPE-LBPRGKRZSA-N 0 3 239.771 3.032 20 0 BGADHN Cc1csc(CNC(C)(C)C(C)(C)C)n1 ZINC000308879349 490689816 /nfs/dbraw/zinc/68/98/16/490689816.db2.gz CNAXQOBLSNKQFK-UHFFFAOYSA-N 0 3 226.389 3.366 20 0 BGADHN CC[C@H](N[C@@H]1C[C@@H](C)[C@H]1C)c1nccs1 ZINC000308879849 410784793 /nfs/dbraw/zinc/78/47/93/410784793.db2.gz CQVAYDMTTAPMKE-CHWFTXMASA-N 0 3 224.373 3.228 20 0 BGADHN CC[C@H](N[C@@H]1C[C@@H](C)[C@@H]1C)c1nccs1 ZINC000308879851 410785598 /nfs/dbraw/zinc/78/55/98/410785598.db2.gz CQVAYDMTTAPMKE-VPOLOUISSA-N 0 3 224.373 3.228 20 0 BGADHN CC[C@H](N[C@@H]1C[C@H](C)[C@@H]1C)c1nccs1 ZINC000308879853 410785875 /nfs/dbraw/zinc/78/58/75/410785875.db2.gz CQVAYDMTTAPMKE-XWLWVQCSSA-N 0 3 224.373 3.228 20 0 BGADHN CC[C@H](N[C@@H]1C[C@H](C)[C@H]1C)c1nccs1 ZINC000308879855 410785222 /nfs/dbraw/zinc/78/52/22/410785222.db2.gz CQVAYDMTTAPMKE-ZRUFSTJUSA-N 0 3 224.373 3.228 20 0 BGADHN Clc1ccc(CNC[C@H]2CCCSC2)o1 ZINC000308880042 410785052 /nfs/dbraw/zinc/78/50/52/410785052.db2.gz PMVJXZUIANRYIK-SECBINFHSA-N 0 3 245.775 3.166 20 0 BGADHN Clc1ccc(CNC[C@@H]2CCCSC2)o1 ZINC000308880044 410786194 /nfs/dbraw/zinc/78/61/94/410786194.db2.gz PMVJXZUIANRYIK-VIFPVBQESA-N 0 3 245.775 3.166 20 0 BGADHN Clc1cccc2c1CC[C@H]2NC1CSC1 ZINC000308880144 491139382 /nfs/dbraw/zinc/13/93/82/491139382.db2.gz PROAVBXNMVWKBG-GFCCVEGCSA-N 0 3 239.771 3.032 20 0 BGADHN Clc1cccc2c1CC[C@@H]2NC1CSC1 ZINC000308880146 491139421 /nfs/dbraw/zinc/13/94/21/491139421.db2.gz PROAVBXNMVWKBG-LBPRGKRZSA-N 0 3 239.771 3.032 20 0 BGADHN Clc1cscc1CNCCc1ccco1 ZINC000308883022 491139665 /nfs/dbraw/zinc/13/96/65/491139665.db2.gz RFXGGRVRTRHQTN-UHFFFAOYSA-N 0 3 241.743 3.327 20 0 BGADHN COC[C@H](NCc1sccc1Cl)C(C)C ZINC000308885723 349024440 /nfs/dbraw/zinc/02/44/40/349024440.db2.gz PUNBQFKWEQECHM-JTQLQIEISA-N 0 3 247.791 3.162 20 0 BGADHN COC[C@@H](NCc1sccc1Cl)C(C)C ZINC000308885725 349024432 /nfs/dbraw/zinc/02/44/32/349024432.db2.gz PUNBQFKWEQECHM-SNVBAGLBSA-N 0 3 247.791 3.162 20 0 BGADHN C[C@@H]1C[C@H](NCc2ccccc2Cl)[C@@H]1C ZINC000308886056 533956957 /nfs/dbraw/zinc/95/69/57/533956957.db2.gz GDYMPTJGHMGSOL-BREBYQMCSA-N 0 3 223.747 3.474 20 0 BGADHN C[C@@H]1C[C@@H](NCc2ccccc2Cl)[C@H]1C ZINC000308886057 533651297 /nfs/dbraw/zinc/65/12/97/533651297.db2.gz GDYMPTJGHMGSOL-GBIKHYSHSA-N 0 3 223.747 3.474 20 0 BGADHN C[C@@H]1C[C@@H](NCc2ccccc2Cl)[C@@H]1C ZINC000308886058 533651275 /nfs/dbraw/zinc/65/12/75/533651275.db2.gz GDYMPTJGHMGSOL-GIPNMCIBSA-N 0 3 223.747 3.474 20 0 BGADHN C[C@@H]1C[C@H](NCc2ccccc2Cl)[C@H]1C ZINC000308886059 533957873 /nfs/dbraw/zinc/95/78/73/533957873.db2.gz GDYMPTJGHMGSOL-NRUUGDAUSA-N 0 3 223.747 3.474 20 0 BGADHN Clc1ccc(CN[C@H]2CC23CCCC3)o1 ZINC000308887230 180580629 /nfs/dbraw/zinc/58/06/29/180580629.db2.gz UIZDWTVLLXFOMF-JTQLQIEISA-N 0 3 225.719 3.355 20 0 BGADHN Clc1ccc(CN[C@@H]2CC23CCCC3)o1 ZINC000308887231 385253548 /nfs/dbraw/zinc/25/35/48/385253548.db2.gz UIZDWTVLLXFOMF-SNVBAGLBSA-N 0 3 225.719 3.355 20 0 BGADHN CC(C)c1cnc(CNCC2(C)CC2)s1 ZINC000308888083 187307278 /nfs/dbraw/zinc/30/72/78/187307278.db2.gz WMWDYTPWSASCFR-UHFFFAOYSA-N 0 3 224.373 3.156 20 0 BGADHN Clc1nccc(CNC2CC=CC2)c1Cl ZINC000308889456 632091223 /nfs/dbraw/zinc/09/12/23/632091223.db2.gz VYSAQKKIZWRRTO-UHFFFAOYSA-N 0 3 243.137 3.197 20 0 BGADHN Cc1nc(CN[C@H](C)CCC2CC2)cs1 ZINC000308889883 385244022 /nfs/dbraw/zinc/24/40/22/385244022.db2.gz XFXCHTRFPLFYPC-SECBINFHSA-N 0 3 224.373 3.120 20 0 BGADHN Cc1nc(CN[C@@H](C)CCC2CC2)cs1 ZINC000308889884 385244560 /nfs/dbraw/zinc/24/45/60/385244560.db2.gz XFXCHTRFPLFYPC-VIFPVBQESA-N 0 3 224.373 3.120 20 0 BGADHN CO[C@@H]1CCC[C@H]1NCc1sccc1Cl ZINC000308889913 229255834 /nfs/dbraw/zinc/25/58/34/229255834.db2.gz QUDOKBQUARXBJG-NXEZZACHSA-N 0 3 245.775 3.059 20 0 BGADHN CC(C)(C)[C@@H]1CC[C@H]1NCc1cscn1 ZINC000308890319 385245648 /nfs/dbraw/zinc/24/56/48/385245648.db2.gz XHPNFOCNOJSCDA-GHMZBOCLSA-N 0 3 224.373 3.057 20 0 BGADHN CC(C)(C)[C@@H]1CC[C@@H]1NCc1cscn1 ZINC000308890320 188341794 /nfs/dbraw/zinc/34/17/94/188341794.db2.gz XHPNFOCNOJSCDA-MNOVXSKESA-N 0 3 224.373 3.057 20 0 BGADHN CC(C)(C)[C@H]1CC[C@@H]1NCc1cscn1 ZINC000308890321 385245516 /nfs/dbraw/zinc/24/55/16/385245516.db2.gz XHPNFOCNOJSCDA-QWRGUYRKSA-N 0 3 224.373 3.057 20 0 BGADHN CC(C)(C)[C@H]1CC[C@H]1NCc1cscn1 ZINC000308890322 385245428 /nfs/dbraw/zinc/24/54/28/385245428.db2.gz XHPNFOCNOJSCDA-WDEREUQCSA-N 0 3 224.373 3.057 20 0 BGADHN CC(C)(C)[C@@H]1CC[C@@H]1NCc1ccoc1 ZINC000308892083 385248324 /nfs/dbraw/zinc/24/83/24/385248324.db2.gz XZTCDBMFSCIYPM-NEPJUHHUSA-N 0 3 207.317 3.194 20 0 BGADHN CC(C)(C)[C@H]1CC[C@H]1NCc1ccoc1 ZINC000308892084 385248191 /nfs/dbraw/zinc/24/81/91/385248191.db2.gz XZTCDBMFSCIYPM-NWDGAFQWSA-N 0 3 207.317 3.194 20 0 BGADHN CC(C)(C)[C@H]1CC[C@@H]1NCc1ccoc1 ZINC000308892085 385248761 /nfs/dbraw/zinc/24/87/61/385248761.db2.gz XZTCDBMFSCIYPM-RYUDHWBXSA-N 0 3 207.317 3.194 20 0 BGADHN CC(C)(C)[C@@H]1CC[C@H]1NCc1ccoc1 ZINC000308892086 385247034 /nfs/dbraw/zinc/24/70/34/385247034.db2.gz XZTCDBMFSCIYPM-VXGBXAGGSA-N 0 3 207.317 3.194 20 0 BGADHN Clc1csc(CNCCOC2CCC2)c1 ZINC000308892389 631714495 /nfs/dbraw/zinc/71/44/95/631714495.db2.gz XMXCLTOWTFNRKC-UHFFFAOYSA-N 0 3 245.775 3.060 20 0 BGADHN Fc1ccccc1CNC[C@H]1CC1(Cl)Cl ZINC000308893653 631714927 /nfs/dbraw/zinc/71/49/27/631714927.db2.gz YNWVHCLHVRVWIS-SECBINFHSA-N 0 3 248.128 3.109 20 0 BGADHN Fc1ccccc1CNC[C@@H]1CC1(Cl)Cl ZINC000308893656 632100308 /nfs/dbraw/zinc/10/03/08/632100308.db2.gz YNWVHCLHVRVWIS-VIFPVBQESA-N 0 3 248.128 3.109 20 0 BGADHN CC(C)C(N[C@@H](C)c1nccs1)C(C)C ZINC000308894721 491139881 /nfs/dbraw/zinc/13/98/81/491139881.db2.gz RZPZPNZPMCDBJK-JTQLQIEISA-N 0 3 226.389 3.474 20 0 BGADHN CC(C)C(N[C@H](C)c1nccs1)C(C)C ZINC000308894723 491139876 /nfs/dbraw/zinc/13/98/76/491139876.db2.gz RZPZPNZPMCDBJK-SNVBAGLBSA-N 0 3 226.389 3.474 20 0 BGADHN Cc1csc([C@@H](C)NC[C@H](C)C(C)C)n1 ZINC000308897563 342875612 /nfs/dbraw/zinc/87/56/12/342875612.db2.gz AHWUAMBYCDZANW-GXSJLCMTSA-N 0 3 226.389 3.394 20 0 BGADHN Cc1csc([C@H](C)NC[C@@H](C)C(C)C)n1 ZINC000308897566 342875631 /nfs/dbraw/zinc/87/56/31/342875631.db2.gz AHWUAMBYCDZANW-KOLCDFICSA-N 0 3 226.389 3.394 20 0 BGADHN Cc1csc([C@@H](C)NC[C@@H](C)C(C)C)n1 ZINC000308897567 342875542 /nfs/dbraw/zinc/87/55/42/342875542.db2.gz AHWUAMBYCDZANW-MWLCHTKSSA-N 0 3 226.389 3.394 20 0 BGADHN Cc1csc([C@H](C)NC[C@H](C)C(C)C)n1 ZINC000308897572 342875576 /nfs/dbraw/zinc/87/55/76/342875576.db2.gz AHWUAMBYCDZANW-ONGXEEELSA-N 0 3 226.389 3.394 20 0 BGADHN CC(C)(C)C(C)(C)CNCc1nccs1 ZINC000308900632 410814858 /nfs/dbraw/zinc/81/48/58/410814858.db2.gz BUSSPIXQVGQZNF-UHFFFAOYSA-N 0 3 226.389 3.305 20 0 BGADHN CCCCN[C@H](C)c1ncccc1CC ZINC000308901695 528556404 /nfs/dbraw/zinc/55/64/04/528556404.db2.gz BMJQCYJNPLCDKE-LLVKDONJSA-N 0 3 206.333 3.095 20 0 BGADHN CCCCN[C@@H](C)c1ncccc1CC ZINC000308901697 528554315 /nfs/dbraw/zinc/55/43/15/528554315.db2.gz BMJQCYJNPLCDKE-NSHDSACASA-N 0 3 206.333 3.095 20 0 BGADHN CC[C@H]1CC[C@H](NCc2ccco2)CC1 ZINC000308904200 529257701 /nfs/dbraw/zinc/25/77/01/529257701.db2.gz KPVLSVLYLHVHRM-HAQNSBGRSA-N 0 3 207.317 3.338 20 0 BGADHN CC[C@H](NC[C@H]1C[C@@H]1C)c1nc(C)cs1 ZINC000308905013 385277155 /nfs/dbraw/zinc/27/71/55/385277155.db2.gz CGYDVWWECVSWEN-GDPRMGEGSA-N 0 3 224.373 3.148 20 0 BGADHN CC[C@H](NC[C@H]1C[C@H]1C)c1nc(C)cs1 ZINC000308905016 385276739 /nfs/dbraw/zinc/27/67/39/385276739.db2.gz CGYDVWWECVSWEN-IEBDPFPHSA-N 0 3 224.373 3.148 20 0 BGADHN CC[C@H](NC[C@@H]1C[C@@H]1C)c1nc(C)cs1 ZINC000308905019 385277405 /nfs/dbraw/zinc/27/74/05/385277405.db2.gz CGYDVWWECVSWEN-LSJOCFKGSA-N 0 3 224.373 3.148 20 0 BGADHN CC[C@H](NC[C@@H]1C[C@H]1C)c1nc(C)cs1 ZINC000308905023 385277317 /nfs/dbraw/zinc/27/73/17/385277317.db2.gz CGYDVWWECVSWEN-MIMYLULJSA-N 0 3 224.373 3.148 20 0 BGADHN FC1(CCNCc2ccc(Cl)o2)CCC1 ZINC000308905511 385276285 /nfs/dbraw/zinc/27/62/85/385276285.db2.gz DIDGPYBZNAESND-UHFFFAOYSA-N 0 3 231.698 3.305 20 0 BGADHN CCCC[C@@H](C)[C@@H](C)NCc1cscn1 ZINC000308906298 528764530 /nfs/dbraw/zinc/76/45/30/528764530.db2.gz CPBADTSIWQSBKA-GHMZBOCLSA-N 0 3 226.389 3.448 20 0 BGADHN CCCC[C@@H](C)[C@H](C)NCc1cscn1 ZINC000308906301 528765563 /nfs/dbraw/zinc/76/55/63/528765563.db2.gz CPBADTSIWQSBKA-MNOVXSKESA-N 0 3 226.389 3.448 20 0 BGADHN CCCC[C@H](C)[C@H](C)NCc1cscn1 ZINC000308906304 528896319 /nfs/dbraw/zinc/89/63/19/528896319.db2.gz CPBADTSIWQSBKA-QWRGUYRKSA-N 0 3 226.389 3.448 20 0 BGADHN CCCC[C@H](C)[C@@H](C)NCc1cscn1 ZINC000308906307 528896119 /nfs/dbraw/zinc/89/61/19/528896119.db2.gz CPBADTSIWQSBKA-WDEREUQCSA-N 0 3 226.389 3.448 20 0 BGADHN CC[C@H]1CC[C@H](NCc2cscn2)CC1 ZINC000308908846 529257535 /nfs/dbraw/zinc/25/75/35/529257535.db2.gz QWNPAEURQQHWPF-XYPYZODXSA-N 0 3 224.373 3.202 20 0 BGADHN CO[C@@H]1CC[C@@H](NCc2ccsc2Cl)C1 ZINC000308909289 385285599 /nfs/dbraw/zinc/28/55/99/385285599.db2.gz DGGJEECJDMQERV-NXEZZACHSA-N 0 3 245.775 3.059 20 0 BGADHN CO[C@H]1CC[C@H](NCc2ccsc2Cl)C1 ZINC000308909291 385284106 /nfs/dbraw/zinc/28/41/06/385284106.db2.gz DGGJEECJDMQERV-UWVGGRQHSA-N 0 3 245.775 3.059 20 0 BGADHN CO[C@@H]1CC[C@H](NCc2ccsc2Cl)C1 ZINC000308909294 385284843 /nfs/dbraw/zinc/28/48/43/385284843.db2.gz DGGJEECJDMQERV-VHSXEESVSA-N 0 3 245.775 3.059 20 0 BGADHN CO[C@H]1CC[C@@H](NCc2ccsc2Cl)C1 ZINC000308909296 385283616 /nfs/dbraw/zinc/28/36/16/385283616.db2.gz DGGJEECJDMQERV-ZJUUUORDSA-N 0 3 245.775 3.059 20 0 BGADHN CO[C@@H]1CCC[C@H]1NCc1cscc1Cl ZINC000308913920 409936480 /nfs/dbraw/zinc/93/64/80/409936480.db2.gz FKCCJDXKJXUBOY-GHMZBOCLSA-N 0 3 245.775 3.059 20 0 BGADHN CO[C@H]1CCC[C@H]1NCc1cscc1Cl ZINC000308913921 631721403 /nfs/dbraw/zinc/72/14/03/631721403.db2.gz FKCCJDXKJXUBOY-MNOVXSKESA-N 0 3 245.775 3.059 20 0 BGADHN CO[C@H]1CCC[C@@H]1NCc1cscc1Cl ZINC000308913923 633831724 /nfs/dbraw/zinc/83/17/24/633831724.db2.gz FKCCJDXKJXUBOY-QWRGUYRKSA-N 0 3 245.775 3.059 20 0 BGADHN CO[C@@H]1CCC[C@@H]1NCc1cscc1Cl ZINC000308913924 632419904 /nfs/dbraw/zinc/41/99/04/632419904.db2.gz FKCCJDXKJXUBOY-WDEREUQCSA-N 0 3 245.775 3.059 20 0 BGADHN CC[C@@]1(NCc2sccc2Cl)CCOC1 ZINC000308914873 491140136 /nfs/dbraw/zinc/14/01/36/491140136.db2.gz FOBXSYHAGIPTCQ-LLVKDONJSA-N 0 3 245.775 3.060 20 0 BGADHN CC[C@]1(NCc2sccc2Cl)CCOC1 ZINC000308914874 491140176 /nfs/dbraw/zinc/14/01/76/491140176.db2.gz FOBXSYHAGIPTCQ-NSHDSACASA-N 0 3 245.775 3.060 20 0 BGADHN FCCCNCc1ccc(C(F)(F)F)s1 ZINC000308917630 323181561 /nfs/dbraw/zinc/18/15/61/323181561.db2.gz HXQWSCWYBWDBDD-UHFFFAOYSA-N 0 3 241.253 3.216 20 0 BGADHN CCCCNCc1cnc(C(F)(F)F)s1 ZINC000308917724 385290030 /nfs/dbraw/zinc/29/00/30/385290030.db2.gz GIWQDQCTFCCNEH-UHFFFAOYSA-N 0 3 238.278 3.052 20 0 BGADHN CC[C@H](NCCCCCF)c1nccs1 ZINC000308917889 385291994 /nfs/dbraw/zinc/29/19/94/385291994.db2.gz IXSFNOQZMKSGGE-JTQLQIEISA-N 0 3 230.352 3.324 20 0 BGADHN CC[C@@H](NCCCCCF)c1nccs1 ZINC000308917890 385292841 /nfs/dbraw/zinc/29/28/41/385292841.db2.gz IXSFNOQZMKSGGE-SNVBAGLBSA-N 0 3 230.352 3.324 20 0 BGADHN CC[C@](C)(CCO)NCc1ccsc1Cl ZINC000308918804 385292514 /nfs/dbraw/zinc/29/25/14/385292514.db2.gz GQOQUDLHEWHPSV-LLVKDONJSA-N 0 3 247.791 3.042 20 0 BGADHN CC[C@@](C)(CCO)NCc1ccsc1Cl ZINC000308918805 171164983 /nfs/dbraw/zinc/16/49/83/171164983.db2.gz GQOQUDLHEWHPSV-NSHDSACASA-N 0 3 247.791 3.042 20 0 BGADHN C[C@@H]1OCC[C@@]1(C)NCc1sccc1Cl ZINC000308918988 385292224 /nfs/dbraw/zinc/29/22/24/385292224.db2.gz YRRASMLTCVNPQR-GZMMTYOYSA-N 0 3 245.775 3.059 20 0 BGADHN C[C@H]1OCC[C@]1(C)NCc1sccc1Cl ZINC000308918990 385292736 /nfs/dbraw/zinc/29/27/36/385292736.db2.gz YRRASMLTCVNPQR-KCJUWKMLSA-N 0 3 245.775 3.059 20 0 BGADHN C[C@@H]1OCC[C@]1(C)NCc1sccc1Cl ZINC000308918992 385291774 /nfs/dbraw/zinc/29/17/74/385291774.db2.gz YRRASMLTCVNPQR-KWQFWETISA-N 0 3 245.775 3.059 20 0 BGADHN C[C@H]1OCC[C@@]1(C)NCc1sccc1Cl ZINC000308918994 385292826 /nfs/dbraw/zinc/29/28/26/385292826.db2.gz YRRASMLTCVNPQR-LDYMZIIASA-N 0 3 245.775 3.059 20 0 BGADHN FC1(CN[C@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000308920174 323181481 /nfs/dbraw/zinc/18/14/81/323181481.db2.gz IOJQIDMLJJUPBU-NEPJUHHUSA-N 0 3 211.324 3.047 20 0 BGADHN FC1(CN[C@@H]2C[C@H]2C2CCCCC2)CC1 ZINC000308920179 323181569 /nfs/dbraw/zinc/18/15/69/323181569.db2.gz IOJQIDMLJJUPBU-NWDGAFQWSA-N 0 3 211.324 3.047 20 0 BGADHN FC1(CN[C@H]2C[C@H]2C2CCCCC2)CC1 ZINC000308920184 323181600 /nfs/dbraw/zinc/18/16/00/323181600.db2.gz IOJQIDMLJJUPBU-RYUDHWBXSA-N 0 3 211.324 3.047 20 0 BGADHN FC1(CN[C@@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000308920188 323181603 /nfs/dbraw/zinc/18/16/03/323181603.db2.gz IOJQIDMLJJUPBU-VXGBXAGGSA-N 0 3 211.324 3.047 20 0 BGADHN CCCCNCc1c(F)cccc1CC ZINC000308920604 528552955 /nfs/dbraw/zinc/55/29/55/528552955.db2.gz GYWYZMPDEDLFTE-UHFFFAOYSA-N 0 3 209.308 3.278 20 0 BGADHN CC[C@@H](F)CN[C@@H](CC(F)(F)F)C(C)C ZINC000308922900 529553587 /nfs/dbraw/zinc/55/35/87/529553587.db2.gz HMQQHVIHDYIGEL-BDAKNGLRSA-N 0 3 229.261 3.301 20 0 BGADHN CC[C@H](F)CN[C@H](CC(F)(F)F)C(C)C ZINC000308922901 529438688 /nfs/dbraw/zinc/43/86/88/529438688.db2.gz HMQQHVIHDYIGEL-DTWKUNHWSA-N 0 3 229.261 3.301 20 0 BGADHN CC[C@H](F)CN[C@@H](CC(F)(F)F)C(C)C ZINC000308922902 529438435 /nfs/dbraw/zinc/43/84/35/529438435.db2.gz HMQQHVIHDYIGEL-IUCAKERBSA-N 0 3 229.261 3.301 20 0 BGADHN CC[C@@H](F)CN[C@H](CC(F)(F)F)C(C)C ZINC000308922903 529553604 /nfs/dbraw/zinc/55/36/04/529553604.db2.gz HMQQHVIHDYIGEL-RKDXNWHRSA-N 0 3 229.261 3.301 20 0 BGADHN C[C@@H](NCC1(C)CC1)c1ccc(Cl)cn1 ZINC000308924768 385296094 /nfs/dbraw/zinc/29/60/94/385296094.db2.gz CZZOADOQXVGPJV-SECBINFHSA-N 0 3 224.735 3.186 20 0 BGADHN C[C@H](NCC1(C)CC1)c1ccc(Cl)cn1 ZINC000308924772 385297147 /nfs/dbraw/zinc/29/71/47/385297147.db2.gz CZZOADOQXVGPJV-VIFPVBQESA-N 0 3 224.735 3.186 20 0 BGADHN CC[C@H](C)NCc1cnc(C(F)(F)F)s1 ZINC000308925065 171344559 /nfs/dbraw/zinc/34/45/59/171344559.db2.gz IAQATSAUAIBNKD-LURJTMIESA-N 0 3 238.278 3.050 20 0 BGADHN CC[C@@H](C)NCc1cnc(C(F)(F)F)s1 ZINC000308925066 385295864 /nfs/dbraw/zinc/29/58/64/385295864.db2.gz IAQATSAUAIBNKD-ZCFIWIBFSA-N 0 3 238.278 3.050 20 0 BGADHN CC[C@H](O)CCCNCc1cc(Cl)cs1 ZINC000308925095 385296906 /nfs/dbraw/zinc/29/69/06/385296906.db2.gz IBUTUJKEFRWULL-JTQLQIEISA-N 0 3 247.791 3.042 20 0 BGADHN CC[C@@H](O)CCCNCc1cc(Cl)cs1 ZINC000308925096 346941679 /nfs/dbraw/zinc/94/16/79/346941679.db2.gz IBUTUJKEFRWULL-SNVBAGLBSA-N 0 3 247.791 3.042 20 0 BGADHN C[C@H](N[C@H]1CCC12CCC2)c1nccs1 ZINC000308929436 385288804 /nfs/dbraw/zinc/28/88/04/385288804.db2.gz DXUGGGMMMOORLM-UWVGGRQHSA-N 0 3 222.357 3.126 20 0 BGADHN C[C@H](N[C@@H]1CCC12CCC2)c1nccs1 ZINC000308929437 385289698 /nfs/dbraw/zinc/28/96/98/385289698.db2.gz DXUGGGMMMOORLM-VHSXEESVSA-N 0 3 222.357 3.126 20 0 BGADHN CC[C@H](CN[C@@H](C)CF)c1ccccc1 ZINC000308935007 529368294 /nfs/dbraw/zinc/36/82/94/529368294.db2.gz NXZVXBYKIFWTPO-NWDGAFQWSA-N 0 3 209.308 3.128 20 0 BGADHN CC[C@@H](CN[C@@H](C)CF)c1ccccc1 ZINC000308935009 529494871 /nfs/dbraw/zinc/49/48/71/529494871.db2.gz NXZVXBYKIFWTPO-RYUDHWBXSA-N 0 3 209.308 3.128 20 0 BGADHN CCC1CC(N[C@H](C)c2nc(C)cs2)C1 ZINC000308938395 385305254 /nfs/dbraw/zinc/30/52/54/385305254.db2.gz LMZGPHPRJQJWLD-KPPDAEKUSA-N 0 3 224.373 3.291 20 0 BGADHN CCC1CC(N[C@@H](C)c2nc(C)cs2)C1 ZINC000308938397 385304966 /nfs/dbraw/zinc/30/49/66/385304966.db2.gz LMZGPHPRJQJWLD-WHXUTIOJSA-N 0 3 224.373 3.291 20 0 BGADHN CC[C@@](C)(NCCC1CC1)c1nccs1 ZINC000308941323 171174325 /nfs/dbraw/zinc/17/43/25/171174325.db2.gz MIPCHTQIJSQGCB-GFCCVEGCSA-N 0 3 224.373 3.158 20 0 BGADHN CC[C@](C)(NCCC1CC1)c1nccs1 ZINC000308941324 385298413 /nfs/dbraw/zinc/29/84/13/385298413.db2.gz MIPCHTQIJSQGCB-LBPRGKRZSA-N 0 3 224.373 3.158 20 0 BGADHN FCCN[C@@H]1CCCc2ccc(Cl)cc21 ZINC000308945264 259341079 /nfs/dbraw/zinc/34/10/79/259341079.db2.gz RXKMNOIRZDQURR-GFCCVEGCSA-N 0 3 227.710 3.277 20 0 BGADHN FCCN[C@H]1CCCc2ccc(Cl)cc21 ZINC000308945269 259340875 /nfs/dbraw/zinc/34/08/75/259340875.db2.gz RXKMNOIRZDQURR-LBPRGKRZSA-N 0 3 227.710 3.277 20 0 BGADHN CCCc1ccc(CN[C@@H](C)CF)cc1 ZINC000308949773 409966617 /nfs/dbraw/zinc/96/66/17/409966617.db2.gz UPBUTYJYOPGBPX-NSHDSACASA-N 0 3 209.308 3.087 20 0 BGADHN CO[C@@H](C)[C@@H](C)N[C@H](C)c1ccc(Cl)s1 ZINC000308954773 229264050 /nfs/dbraw/zinc/26/40/50/229264050.db2.gz QEKHVHOBOQPBQG-HLTSFMKQSA-N 0 3 247.791 3.476 20 0 BGADHN CC[C@@](C)(NCC[C@H](C)F)c1nccs1 ZINC000308956184 171176091 /nfs/dbraw/zinc/17/60/91/171176091.db2.gz QSAPOVCOQGJSDF-GXSJLCMTSA-N 0 3 230.352 3.106 20 0 BGADHN CC[C@](C)(NCC[C@@H](C)F)c1nccs1 ZINC000308956185 385321856 /nfs/dbraw/zinc/32/18/56/385321856.db2.gz QSAPOVCOQGJSDF-KOLCDFICSA-N 0 3 230.352 3.106 20 0 BGADHN CC[C@@](C)(NCC[C@@H](C)F)c1nccs1 ZINC000308956186 171176394 /nfs/dbraw/zinc/17/63/94/171176394.db2.gz QSAPOVCOQGJSDF-MWLCHTKSSA-N 0 3 230.352 3.106 20 0 BGADHN CC[C@](C)(NCC[C@H](C)F)c1nccs1 ZINC000308956187 385321395 /nfs/dbraw/zinc/32/13/95/385321395.db2.gz QSAPOVCOQGJSDF-ONGXEEELSA-N 0 3 230.352 3.106 20 0 BGADHN CC[C@](C)(CCO)NCc1cscc1Cl ZINC000308960810 491141080 /nfs/dbraw/zinc/14/10/80/491141080.db2.gz RYHHPYFHCLYVMF-LLVKDONJSA-N 0 3 247.791 3.042 20 0 BGADHN CC[C@@](C)(CCO)NCc1cscc1Cl ZINC000308960814 491141087 /nfs/dbraw/zinc/14/10/87/491141087.db2.gz RYHHPYFHCLYVMF-NSHDSACASA-N 0 3 247.791 3.042 20 0 BGADHN CCCC(CCC)N[C@@H](C)c1ccon1 ZINC000308961130 528000389 /nfs/dbraw/zinc/00/03/89/528000389.db2.gz SBRCVMKSJZEZBI-JTQLQIEISA-N 0 3 210.321 3.294 20 0 BGADHN CCCC(CCC)N[C@H](C)c1ccon1 ZINC000308961131 528000900 /nfs/dbraw/zinc/00/09/00/528000900.db2.gz SBRCVMKSJZEZBI-SNVBAGLBSA-N 0 3 210.321 3.294 20 0 BGADHN CS[C@H]1CC[C@H]1NCc1ccccc1Cl ZINC000308963490 175571204 /nfs/dbraw/zinc/57/12/04/175571204.db2.gz SZHUHDDYBRFJHG-NEPJUHHUSA-N 0 3 241.787 3.324 20 0 BGADHN CS[C@@H]1CC[C@@H]1NCc1ccccc1Cl ZINC000308963491 385316039 /nfs/dbraw/zinc/31/60/39/385316039.db2.gz SZHUHDDYBRFJHG-NWDGAFQWSA-N 0 3 241.787 3.324 20 0 BGADHN CS[C@H]1CC[C@@H]1NCc1ccccc1Cl ZINC000308963492 385316626 /nfs/dbraw/zinc/31/66/26/385316626.db2.gz SZHUHDDYBRFJHG-RYUDHWBXSA-N 0 3 241.787 3.324 20 0 BGADHN CS[C@@H]1CC[C@H]1NCc1ccccc1Cl ZINC000308963493 385315857 /nfs/dbraw/zinc/31/58/57/385315857.db2.gz SZHUHDDYBRFJHG-VXGBXAGGSA-N 0 3 241.787 3.324 20 0 BGADHN CC[C@@H](F)CN[C@H](CC)c1ccccc1 ZINC000308963672 385316196 /nfs/dbraw/zinc/31/61/96/385316196.db2.gz TVUFIHLYSBKGIT-CHWSQXEVSA-N 0 3 209.308 3.475 20 0 BGADHN CC[C@@H](F)CN[C@@H](CC)c1ccccc1 ZINC000308963673 385315423 /nfs/dbraw/zinc/31/54/23/385315423.db2.gz TVUFIHLYSBKGIT-OLZOCXBDSA-N 0 3 209.308 3.475 20 0 BGADHN CC[C@@H](NC[C@@H](F)CC)c1ccccc1 ZINC000308963674 171475256 /nfs/dbraw/zinc/47/52/56/171475256.db2.gz TVUFIHLYSBKGIT-QWHCGFSZSA-N 0 3 209.308 3.475 20 0 BGADHN CC[C@H](F)CN[C@@H](CC)c1ccccc1 ZINC000308963675 385315944 /nfs/dbraw/zinc/31/59/44/385315944.db2.gz TVUFIHLYSBKGIT-STQMWFEESA-N 0 3 209.308 3.475 20 0 BGADHN CC[C@](C)(NC[C@H]1C[C@H]1C)c1nccs1 ZINC000308964333 385316612 /nfs/dbraw/zinc/31/66/12/385316612.db2.gz UJCZJQVRJVSSBL-FOGDFJRCSA-N 0 3 224.373 3.014 20 0 BGADHN CC[C@](C)(NC[C@@H]1C[C@@H]1C)c1nccs1 ZINC000308964434 385316834 /nfs/dbraw/zinc/31/68/34/385316834.db2.gz UJCZJQVRJVSSBL-NHCYSSNCSA-N 0 3 224.373 3.014 20 0 BGADHN CC[C@](C)(NC[C@@H]1C[C@H]1C)c1nccs1 ZINC000308964435 385316991 /nfs/dbraw/zinc/31/69/91/385316991.db2.gz UJCZJQVRJVSSBL-SCVCMEIPSA-N 0 3 224.373 3.014 20 0 BGADHN CC[C@](C)(NC[C@H]1C[C@@H]1C)c1nccs1 ZINC000308964436 385315746 /nfs/dbraw/zinc/31/57/46/385315746.db2.gz UJCZJQVRJVSSBL-UMNHJUIQSA-N 0 3 224.373 3.014 20 0 BGADHN CSc1ccc(CNC(C)(C)CF)cc1 ZINC000308965688 385318832 /nfs/dbraw/zinc/31/88/32/385318832.db2.gz VMFUIANQQCDJEY-UHFFFAOYSA-N 0 3 227.348 3.246 20 0 BGADHN CCC[C@@H](N[C@@H](C)COC)c1ccsc1 ZINC000308966483 385318693 /nfs/dbraw/zinc/31/86/93/385318693.db2.gz WDAQRXNBGSKBBD-CMPLNLGQSA-N 0 3 227.373 3.214 20 0 BGADHN CCC[C@H](N[C@@H](C)COC)c1ccsc1 ZINC000308966484 385318042 /nfs/dbraw/zinc/31/80/42/385318042.db2.gz WDAQRXNBGSKBBD-JQWIXIFHSA-N 0 3 227.373 3.214 20 0 BGADHN CCC[C@H](N[C@H](C)COC)c1ccsc1 ZINC000308966485 385318006 /nfs/dbraw/zinc/31/80/06/385318006.db2.gz WDAQRXNBGSKBBD-PWSUYJOCSA-N 0 3 227.373 3.214 20 0 BGADHN CCC[C@@H](N[C@H](C)COC)c1ccsc1 ZINC000308966486 385318630 /nfs/dbraw/zinc/31/86/30/385318630.db2.gz WDAQRXNBGSKBBD-ZYHUDNBSSA-N 0 3 227.373 3.214 20 0 BGADHN CC[C@H](CC(F)(F)F)NCc1ccoc1 ZINC000308968109 631774121 /nfs/dbraw/zinc/77/41/21/631774121.db2.gz XGYVUXAWNSYNGK-SECBINFHSA-N 0 3 221.222 3.100 20 0 BGADHN CC[C@@H](CC(F)(F)F)NCc1ccoc1 ZINC000308968110 632598263 /nfs/dbraw/zinc/59/82/63/632598263.db2.gz XGYVUXAWNSYNGK-VIFPVBQESA-N 0 3 221.222 3.100 20 0 BGADHN Cc1ccc([C@H](C)NC2CC(C)(C)C2)o1 ZINC000308975607 384532775 /nfs/dbraw/zinc/53/27/75/384532775.db2.gz GNKKJGKCYSXXFQ-JTQLQIEISA-N 0 3 207.317 3.427 20 0 BGADHN Cc1ccc([C@@H](C)NC2CC(C)(C)C2)o1 ZINC000308975612 385330264 /nfs/dbraw/zinc/33/02/64/385330264.db2.gz GNKKJGKCYSXXFQ-SNVBAGLBSA-N 0 3 207.317 3.427 20 0 BGADHN C[C@@H](NCC1(C)CC1)c1cccnc1Cl ZINC000308977977 631782078 /nfs/dbraw/zinc/78/20/78/631782078.db2.gz HFXJVNKUOONEQX-SECBINFHSA-N 0 3 224.735 3.186 20 0 BGADHN C[C@H](NCC1(C)CC1)c1cccnc1Cl ZINC000308977978 631780408 /nfs/dbraw/zinc/78/04/08/631780408.db2.gz HFXJVNKUOONEQX-VIFPVBQESA-N 0 3 224.735 3.186 20 0 BGADHN CC(C)CN[C@H]1COc2cccc(Cl)c21 ZINC000308979306 167014940 /nfs/dbraw/zinc/01/49/40/167014940.db2.gz HOXKSLCEJMJTSZ-JTQLQIEISA-N 0 3 225.719 3.019 20 0 BGADHN CC(C)CN[C@@H]1COc2cccc(Cl)c21 ZINC000308979307 167011736 /nfs/dbraw/zinc/01/17/36/167011736.db2.gz HOXKSLCEJMJTSZ-SNVBAGLBSA-N 0 3 225.719 3.019 20 0 BGADHN C[C@H](N[C@@H]1CC12CCCC2)c1ccco1 ZINC000308980060 176892760 /nfs/dbraw/zinc/89/27/60/176892760.db2.gz HUJWEFIOHRQQNO-CMPLNLGQSA-N 0 3 205.301 3.263 20 0 BGADHN C[C@H](N[C@H]1CC12CCCC2)c1ccco1 ZINC000308980062 385323910 /nfs/dbraw/zinc/32/39/10/385323910.db2.gz HUJWEFIOHRQQNO-JQWIXIFHSA-N 0 3 205.301 3.263 20 0 BGADHN C[C@@H](N[C@H]1CC12CCCC2)c1ccco1 ZINC000308980064 385323900 /nfs/dbraw/zinc/32/39/00/385323900.db2.gz HUJWEFIOHRQQNO-PWSUYJOCSA-N 0 3 205.301 3.263 20 0 BGADHN C[C@@H](N[C@@H]1CC12CCCC2)c1ccco1 ZINC000308980066 385323391 /nfs/dbraw/zinc/32/33/91/385323391.db2.gz HUJWEFIOHRQQNO-ZYHUDNBSSA-N 0 3 205.301 3.263 20 0 BGADHN CC(C)c1csc(CNC[C@H]2C[C@H]2C)n1 ZINC000308981833 385323716 /nfs/dbraw/zinc/32/37/16/385323716.db2.gz ILDVTEQUXXGWJB-NXEZZACHSA-N 0 3 224.373 3.012 20 0 BGADHN CC(C)c1csc(CNC[C@@H]2C[C@@H]2C)n1 ZINC000308981834 385323986 /nfs/dbraw/zinc/32/39/86/385323986.db2.gz ILDVTEQUXXGWJB-UWVGGRQHSA-N 0 3 224.373 3.012 20 0 BGADHN CC(C)c1csc(CNC[C@H]2C[C@@H]2C)n1 ZINC000308981835 385323636 /nfs/dbraw/zinc/32/36/36/385323636.db2.gz ILDVTEQUXXGWJB-VHSXEESVSA-N 0 3 224.373 3.012 20 0 BGADHN CC(C)c1csc(CNC[C@@H]2C[C@H]2C)n1 ZINC000308981836 385322605 /nfs/dbraw/zinc/32/26/05/385322605.db2.gz ILDVTEQUXXGWJB-ZJUUUORDSA-N 0 3 224.373 3.012 20 0 BGADHN C/C(=C\c1ccccc1)CN[C@H](C)CF ZINC000308984214 527533759 /nfs/dbraw/zinc/53/37/59/527533759.db2.gz JDSNRTFLFZANOU-JATZPVMKSA-N 0 3 207.292 3.038 20 0 BGADHN C/C(=C/c1ccccc1)CN[C@@H](C)CF ZINC000308984215 527506074 /nfs/dbraw/zinc/50/60/74/527506074.db2.gz JDSNRTFLFZANOU-KGTBHZDVSA-N 0 3 207.292 3.038 20 0 BGADHN C/C(=C/c1ccccc1)CN[C@H](C)CF ZINC000308984216 527506100 /nfs/dbraw/zinc/50/61/00/527506100.db2.gz JDSNRTFLFZANOU-NXIHDVOMSA-N 0 3 207.292 3.038 20 0 BGADHN C/C(=C\c1ccccc1)CN[C@@H](C)CF ZINC000308984217 527534012 /nfs/dbraw/zinc/53/40/12/527534012.db2.gz JDSNRTFLFZANOU-OBIHZWKSSA-N 0 3 207.292 3.038 20 0 BGADHN CC[C@H](NCC1(C)CCC1)c1nccs1 ZINC000308984594 385324764 /nfs/dbraw/zinc/32/47/64/385324764.db2.gz LPFWJNQISHJNPI-JTQLQIEISA-N 0 3 224.373 3.374 20 0 BGADHN CC[C@@H](NCC1(C)CCC1)c1nccs1 ZINC000308984600 385325874 /nfs/dbraw/zinc/32/58/74/385325874.db2.gz LPFWJNQISHJNPI-SNVBAGLBSA-N 0 3 224.373 3.374 20 0 BGADHN C[C@H](N[C@@H]1CSC1(C)C)c1ccccc1 ZINC000308985792 385325577 /nfs/dbraw/zinc/32/55/77/385325577.db2.gz JQTHEDYPGMGSTM-CMPLNLGQSA-N 0 3 221.369 3.231 20 0 BGADHN C[C@H](N[C@H]1CSC1(C)C)c1ccccc1 ZINC000308985793 385325732 /nfs/dbraw/zinc/32/57/32/385325732.db2.gz JQTHEDYPGMGSTM-JQWIXIFHSA-N 0 3 221.369 3.231 20 0 BGADHN C[C@@H](N[C@H]1CSC1(C)C)c1ccccc1 ZINC000308985794 385325268 /nfs/dbraw/zinc/32/52/68/385325268.db2.gz JQTHEDYPGMGSTM-PWSUYJOCSA-N 0 3 221.369 3.231 20 0 BGADHN C[C@@H](N[C@@H]1CSC1(C)C)c1ccccc1 ZINC000308985795 385325479 /nfs/dbraw/zinc/32/54/79/385325479.db2.gz JQTHEDYPGMGSTM-ZYHUDNBSSA-N 0 3 221.369 3.231 20 0 BGADHN CC(C)c1csc(CNCC2(C)CC2)n1 ZINC000308988066 259341184 /nfs/dbraw/zinc/34/11/84/259341184.db2.gz KHPVUMXQLCQEFG-UHFFFAOYSA-N 0 3 224.373 3.156 20 0 BGADHN Cc1cnc([C@H](C)N[C@@H]2C[C@H](C)[C@H]2C)s1 ZINC000308988927 385334322 /nfs/dbraw/zinc/33/43/22/385334322.db2.gz MYQXQHKXCJNAAT-CDEVMZEPSA-N 0 3 224.373 3.147 20 0 BGADHN Cc1cnc([C@H](C)N[C@@H]2C[C@@H](C)[C@H]2C)s1 ZINC000308988928 385334632 /nfs/dbraw/zinc/33/46/32/385334632.db2.gz MYQXQHKXCJNAAT-CZULRBLNSA-N 0 3 224.373 3.147 20 0 BGADHN Cc1cnc([C@H](C)N[C@@H]2C[C@H](C)[C@@H]2C)s1 ZINC000308988929 385334494 /nfs/dbraw/zinc/33/44/94/385334494.db2.gz MYQXQHKXCJNAAT-DMLMCSCLSA-N 0 3 224.373 3.147 20 0 BGADHN Cc1cnc([C@H](C)N[C@@H]2C[C@@H](C)[C@@H]2C)s1 ZINC000308988930 384613416 /nfs/dbraw/zinc/61/34/16/384613416.db2.gz MYQXQHKXCJNAAT-GRLWKWRFSA-N 0 3 224.373 3.147 20 0 BGADHN Cc1nc([C@@H](C)NCCCCF)c(C)s1 ZINC000308992426 410194886 /nfs/dbraw/zinc/19/48/86/410194886.db2.gz OGWJWNSGZMCCDG-MRVPVSSYSA-N 0 3 230.352 3.160 20 0 BGADHN Cc1nc([C@H](C)NCCCCF)c(C)s1 ZINC000308992429 410194824 /nfs/dbraw/zinc/19/48/24/410194824.db2.gz OGWJWNSGZMCCDG-QMMMGPOBSA-N 0 3 230.352 3.160 20 0 BGADHN CC(C)(C)OCCNCc1sccc1Cl ZINC000308993979 491142065 /nfs/dbraw/zinc/14/20/65/491142065.db2.gz LXLWQXSQYHLQIW-UHFFFAOYSA-N 0 3 247.791 3.306 20 0 BGADHN Cc1ncc([C@@H](C)NCCSC(C)C)s1 ZINC000308994416 349269048 /nfs/dbraw/zinc/26/90/48/349269048.db2.gz MAWBGXILSSZWAY-SECBINFHSA-N 0 3 244.429 3.244 20 0 BGADHN Cc1ncc([C@H](C)NCCSC(C)C)s1 ZINC000308994418 349268597 /nfs/dbraw/zinc/26/85/97/349268597.db2.gz MAWBGXILSSZWAY-VIFPVBQESA-N 0 3 244.429 3.244 20 0 BGADHN CC(C)c1ccc(CNC2CSC2)cc1 ZINC000308995557 491142011 /nfs/dbraw/zinc/14/20/11/491142011.db2.gz MKDCRVFQSJSYKV-UHFFFAOYSA-N 0 3 221.369 3.015 20 0 BGADHN c1cc2cc(CNC3CSC3)ccc2s1 ZINC000308996692 491142044 /nfs/dbraw/zinc/14/20/44/491142044.db2.gz MUBBKYMOYXKJEY-UHFFFAOYSA-N 0 3 235.377 3.106 20 0 BGADHN C[C@@H](N[C@H]1CCC(F)(F)C1)c1ccco1 ZINC000308998051 491142090 /nfs/dbraw/zinc/14/20/90/491142090.db2.gz NDLXIOATRJAVMH-BDAKNGLRSA-N 0 3 215.243 3.118 20 0 BGADHN C[C@H](N[C@@H]1CCC(F)(F)C1)c1ccco1 ZINC000308998052 491142134 /nfs/dbraw/zinc/14/21/34/491142134.db2.gz NDLXIOATRJAVMH-DTWKUNHWSA-N 0 3 215.243 3.118 20 0 BGADHN C[C@H](N[C@H]1CCC(F)(F)C1)c1ccco1 ZINC000308998053 491142098 /nfs/dbraw/zinc/14/20/98/491142098.db2.gz NDLXIOATRJAVMH-IUCAKERBSA-N 0 3 215.243 3.118 20 0 BGADHN C[C@@H](N[C@@H]1CCC(F)(F)C1)c1ccco1 ZINC000308998054 491142127 /nfs/dbraw/zinc/14/21/27/491142127.db2.gz NDLXIOATRJAVMH-RKDXNWHRSA-N 0 3 215.243 3.118 20 0 BGADHN FCCCCNCc1cc(Cl)ccc1F ZINC000308999609 385332742 /nfs/dbraw/zinc/33/27/42/385332742.db2.gz QYBSMXFTDWEXMK-UHFFFAOYSA-N 0 3 233.689 3.318 20 0 BGADHN C[C@@H](N[C@H](C)c1ccc[nH]1)c1ccsc1 ZINC000309004183 632613067 /nfs/dbraw/zinc/61/30/67/632613067.db2.gz PCFOQPDZCXQQRB-NXEZZACHSA-N 0 3 220.341 3.488 20 0 BGADHN C[C@H](N[C@@H](C)c1ccc[nH]1)c1ccsc1 ZINC000309004185 631796275 /nfs/dbraw/zinc/79/62/75/631796275.db2.gz PCFOQPDZCXQQRB-UWVGGRQHSA-N 0 3 220.341 3.488 20 0 BGADHN C[C@@H](N[C@@H](C)c1ccsc1)c1ccc[nH]1 ZINC000309004186 631796969 /nfs/dbraw/zinc/79/69/69/631796969.db2.gz PCFOQPDZCXQQRB-VHSXEESVSA-N 0 3 220.341 3.488 20 0 BGADHN C[C@@H](N[C@@H](C)c1ccc[nH]1)c1ccsc1 ZINC000309004187 631797532 /nfs/dbraw/zinc/79/75/32/631797532.db2.gz PCFOQPDZCXQQRB-ZJUUUORDSA-N 0 3 220.341 3.488 20 0 BGADHN Cc1csc([C@H](C)NCC2(C)CCC2)n1 ZINC000309005495 385364679 /nfs/dbraw/zinc/36/46/79/385364679.db2.gz UIRVGHUEZJZTTP-JTQLQIEISA-N 0 3 224.373 3.292 20 0 BGADHN Cc1csc([C@@H](C)NCC2(C)CCC2)n1 ZINC000309005496 385364726 /nfs/dbraw/zinc/36/47/26/385364726.db2.gz UIRVGHUEZJZTTP-SNVBAGLBSA-N 0 3 224.373 3.292 20 0 BGADHN Cc1csc([C@H](C)N[C@@H]2C[C@H](C)[C@H]2C)n1 ZINC000309006270 385356648 /nfs/dbraw/zinc/35/66/48/385356648.db2.gz URQJXAOIWXPTKY-CDEVMZEPSA-N 0 3 224.373 3.147 20 0 BGADHN Cc1csc([C@H](C)N[C@@H]2C[C@@H](C)[C@H]2C)n1 ZINC000309006271 179796096 /nfs/dbraw/zinc/79/60/96/179796096.db2.gz URQJXAOIWXPTKY-CZULRBLNSA-N 0 3 224.373 3.147 20 0 BGADHN Cc1csc([C@H](C)N[C@@H]2C[C@H](C)[C@@H]2C)n1 ZINC000309006272 385356278 /nfs/dbraw/zinc/35/62/78/385356278.db2.gz URQJXAOIWXPTKY-DMLMCSCLSA-N 0 3 224.373 3.147 20 0 BGADHN Cc1csc([C@H](C)N[C@@H]2C[C@@H](C)[C@@H]2C)n1 ZINC000309006273 179796524 /nfs/dbraw/zinc/79/65/24/179796524.db2.gz URQJXAOIWXPTKY-GRLWKWRFSA-N 0 3 224.373 3.147 20 0 BGADHN CC(C)C[C@@H](C)CN[C@H](C)c1ccon1 ZINC000309006557 385356633 /nfs/dbraw/zinc/35/66/33/385356633.db2.gz PZJWXRIZBMIKPP-GHMZBOCLSA-N 0 3 210.321 3.007 20 0 BGADHN CC(C)C[C@@H](C)CN[C@@H](C)c1ccon1 ZINC000309006558 385356989 /nfs/dbraw/zinc/35/69/89/385356989.db2.gz PZJWXRIZBMIKPP-MNOVXSKESA-N 0 3 210.321 3.007 20 0 BGADHN CC(C)C[C@H](C)CN[C@@H](C)c1ccon1 ZINC000309006559 385357640 /nfs/dbraw/zinc/35/76/40/385357640.db2.gz PZJWXRIZBMIKPP-QWRGUYRKSA-N 0 3 210.321 3.007 20 0 BGADHN CC(C)C[C@H](C)CN[C@H](C)c1ccon1 ZINC000309006560 385357035 /nfs/dbraw/zinc/35/70/35/385357035.db2.gz PZJWXRIZBMIKPP-WDEREUQCSA-N 0 3 210.321 3.007 20 0 BGADHN CC(C)=CCCNCc1ccccc1F ZINC000309007285 527407134 /nfs/dbraw/zinc/40/71/34/527407134.db2.gz QHZAJUQIRBDROX-UHFFFAOYSA-N 0 3 207.292 3.272 20 0 BGADHN C[C@@H](NCC1CC(C)(C)C1)c1nccs1 ZINC000309007969 323184225 /nfs/dbraw/zinc/18/42/25/323184225.db2.gz QPLGUQFPWJYLIK-SECBINFHSA-N 0 3 224.373 3.230 20 0 BGADHN C[C@H](NCC1CC(C)(C)C1)c1nccs1 ZINC000309007970 323184222 /nfs/dbraw/zinc/18/42/22/323184222.db2.gz QPLGUQFPWJYLIK-VIFPVBQESA-N 0 3 224.373 3.230 20 0 BGADHN C[C@H](N[C@@H]1CC[C@@H]1C)c1cccnc1Cl ZINC000309009678 632616612 /nfs/dbraw/zinc/61/66/12/632616612.db2.gz RGRFIODNUIKTSS-ATZCPNFKSA-N 0 3 224.735 3.184 20 0 BGADHN C[C@H](N[C@H]1CC[C@@H]1C)c1cccnc1Cl ZINC000309009679 631803065 /nfs/dbraw/zinc/80/30/65/631803065.db2.gz RGRFIODNUIKTSS-QXEWZRGKSA-N 0 3 224.735 3.184 20 0 BGADHN C[C@H](N[C@@H]1CC[C@H]1C)c1cccnc1Cl ZINC000309009680 631803271 /nfs/dbraw/zinc/80/32/71/631803271.db2.gz RGRFIODNUIKTSS-WCABBAIRSA-N 0 3 224.735 3.184 20 0 BGADHN C[C@H](N[C@H]1CC[C@H]1C)c1cccnc1Cl ZINC000309009681 633842043 /nfs/dbraw/zinc/84/20/43/633842043.db2.gz RGRFIODNUIKTSS-YWVKMMECSA-N 0 3 224.735 3.184 20 0 BGADHN Cc1ccc([C@H](C)N[C@H]2CC[C@@H](F)C2)o1 ZINC000309010167 385358849 /nfs/dbraw/zinc/35/88/49/385358849.db2.gz RNLRBMMPYPDPOT-AXFHLTTASA-N 0 3 211.280 3.129 20 0 BGADHN Cc1ccc([C@H](C)N[C@H]2CC[C@H](F)C2)o1 ZINC000309010168 178900068 /nfs/dbraw/zinc/90/00/68/178900068.db2.gz RNLRBMMPYPDPOT-DCAQKATOSA-N 0 3 211.280 3.129 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H]2CC[C@H](F)C2)o1 ZINC000309010169 385358647 /nfs/dbraw/zinc/35/86/47/385358647.db2.gz RNLRBMMPYPDPOT-GARJFASQSA-N 0 3 211.280 3.129 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H]2CC[C@@H](F)C2)o1 ZINC000309010170 178896810 /nfs/dbraw/zinc/89/68/10/178896810.db2.gz RNLRBMMPYPDPOT-HBNTYKKESA-N 0 3 211.280 3.129 20 0 BGADHN Cc1cc([C@@H](C)NCC[C@@H](C)F)c(C)o1 ZINC000309013513 178224702 /nfs/dbraw/zinc/22/47/02/178224702.db2.gz SRTAFFXSGZBYIN-PSASIEDQSA-N 0 3 213.296 3.295 20 0 BGADHN Cc1cc([C@H](C)NCC[C@@H](C)F)c(C)o1 ZINC000309013514 178248037 /nfs/dbraw/zinc/24/80/37/178248037.db2.gz SRTAFFXSGZBYIN-SCZZXKLOSA-N 0 3 213.296 3.295 20 0 BGADHN Cc1cc([C@@H](C)NCC[C@H](C)F)c(C)o1 ZINC000309013515 178224197 /nfs/dbraw/zinc/22/41/97/178224197.db2.gz SRTAFFXSGZBYIN-WCBMZHEXSA-N 0 3 213.296 3.295 20 0 BGADHN Cc1cc([C@H](C)NCC[C@H](C)F)c(C)o1 ZINC000309013516 178248747 /nfs/dbraw/zinc/24/87/47/178248747.db2.gz SRTAFFXSGZBYIN-WPRPVWTQSA-N 0 3 213.296 3.295 20 0 BGADHN FCCCCNCc1c(F)cccc1Cl ZINC000309013854 385368615 /nfs/dbraw/zinc/36/86/15/385368615.db2.gz YNDGTEKRZKJHKP-UHFFFAOYSA-N 0 3 233.689 3.318 20 0 BGADHN C[C@@H](N[C@H](C)C(C)(C)O)c1csc(Cl)c1 ZINC000309017217 491051873 /nfs/dbraw/zinc/05/18/73/491051873.db2.gz UXPJFCFTHHHEDT-HTQZYQBOSA-N 0 3 247.791 3.212 20 0 BGADHN C[C@@H](N[C@@H](C)c1csc(Cl)c1)C(C)(C)O ZINC000309017218 491142403 /nfs/dbraw/zinc/14/24/03/491142403.db2.gz UXPJFCFTHHHEDT-JGVFFNPUSA-N 0 3 247.791 3.212 20 0 BGADHN C[C@@H](N[C@@H](C)C(C)(C)O)c1csc(Cl)c1 ZINC000309017219 491142488 /nfs/dbraw/zinc/14/24/88/491142488.db2.gz UXPJFCFTHHHEDT-SFYZADRCSA-N 0 3 247.791 3.212 20 0 BGADHN C[C@H](N[C@@H](C)C(C)(C)O)c1csc(Cl)c1 ZINC000309017220 491142474 /nfs/dbraw/zinc/14/24/74/491142474.db2.gz UXPJFCFTHHHEDT-YUMQZZPRSA-N 0 3 247.791 3.212 20 0 BGADHN Cc1cnc([C@@H](C)NC2CC(C)(C)C2)s1 ZINC000309017412 385371762 /nfs/dbraw/zinc/37/17/62/385371762.db2.gz VBYXEYZFLDPFSI-SECBINFHSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1cnc([C@H](C)NC2CC(C)(C)C2)s1 ZINC000309017413 385371200 /nfs/dbraw/zinc/37/12/00/385371200.db2.gz VBYXEYZFLDPFSI-VIFPVBQESA-N 0 3 224.373 3.291 20 0 BGADHN C[C@H](N[C@@H](C)[C@@H]1CC1(C)C)c1nccs1 ZINC000309018756 533972656 /nfs/dbraw/zinc/97/26/56/533972656.db2.gz VSKZXWXTOTVCFK-GUBZILKMSA-N 0 3 224.373 3.228 20 0 BGADHN C[C@@H](N[C@@H](C)c1nccs1)[C@H]1CC1(C)C ZINC000309018760 533508488 /nfs/dbraw/zinc/50/84/88/533508488.db2.gz VSKZXWXTOTVCFK-KXUCPTDWSA-N 0 3 224.373 3.228 20 0 BGADHN C[C@H](N[C@@H](C)[C@H]1CC1(C)C)c1nccs1 ZINC000309018761 229299553 /nfs/dbraw/zinc/29/95/53/229299553.db2.gz VSKZXWXTOTVCFK-LPEHRKFASA-N 0 3 224.373 3.228 20 0 BGADHN C[C@@H](N[C@@H](C)c1nccs1)[C@@H]1CC1(C)C ZINC000309018762 533508425 /nfs/dbraw/zinc/50/84/25/533508425.db2.gz VSKZXWXTOTVCFK-UTLUCORTSA-N 0 3 224.373 3.228 20 0 BGADHN CC(C)(CC(F)(F)F)NCc1ccoc1 ZINC000309020367 631801272 /nfs/dbraw/zinc/80/12/72/631801272.db2.gz WQHOUMGOCFAVJY-UHFFFAOYSA-N 0 3 221.222 3.100 20 0 BGADHN C[C@@H](NCC1(C(F)F)CC1)c1ccsc1 ZINC000309022935 385366389 /nfs/dbraw/zinc/36/63/89/385366389.db2.gz YHLMPWTWQVGXLV-MRVPVSSYSA-N 0 3 231.311 3.444 20 0 BGADHN C[C@H](NCC1(C(F)F)CC1)c1ccsc1 ZINC000309022936 385366454 /nfs/dbraw/zinc/36/64/54/385366454.db2.gz YHLMPWTWQVGXLV-QMMMGPOBSA-N 0 3 231.311 3.444 20 0 BGADHN Cc1cc([C@@H](C)N[C@@H]2CC2(C)C)oc1C ZINC000309022958 385367003 /nfs/dbraw/zinc/36/70/03/385367003.db2.gz YIWIUNVETGIUAJ-BXKDBHETSA-N 0 3 207.317 3.346 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2CC2(C)C)oc1C ZINC000309022959 178257895 /nfs/dbraw/zinc/25/78/95/178257895.db2.gz YIWIUNVETGIUAJ-CABZTGNLSA-N 0 3 207.317 3.346 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CC2(C)C)oc1C ZINC000309022960 178254315 /nfs/dbraw/zinc/25/43/15/178254315.db2.gz YIWIUNVETGIUAJ-JOYOIKCWSA-N 0 3 207.317 3.346 20 0 BGADHN Cc1cc([C@@H](C)N[C@H]2CC2(C)C)oc1C ZINC000309022961 178232217 /nfs/dbraw/zinc/23/22/17/178232217.db2.gz YIWIUNVETGIUAJ-SKDRFNHKSA-N 0 3 207.317 3.346 20 0 BGADHN Cc1cc([C@@H](C)N[C@H](C)C(C)(C)C)no1 ZINC000309024149 349317069 /nfs/dbraw/zinc/31/70/69/349317069.db2.gz YZGSJUAWFWGIGW-NXEZZACHSA-N 0 3 210.321 3.068 20 0 BGADHN Cc1cc([C@H](C)N[C@H](C)C(C)(C)C)no1 ZINC000309024153 349317577 /nfs/dbraw/zinc/31/75/77/349317577.db2.gz YZGSJUAWFWGIGW-VHSXEESVSA-N 0 3 210.321 3.068 20 0 BGADHN Cc1ncc([C@H](C)N[C@@H]2CCC2(C)C)s1 ZINC000309024468 491142855 /nfs/dbraw/zinc/14/28/55/491142855.db2.gz ZBWVUPXGGYOSJH-GZMMTYOYSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1ncc([C@@H](C)N[C@H]2CCC2(C)C)s1 ZINC000309024470 491142849 /nfs/dbraw/zinc/14/28/49/491142849.db2.gz ZBWVUPXGGYOSJH-KCJUWKMLSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1ncc([C@H](C)N[C@H]2CCC2(C)C)s1 ZINC000309024473 491142846 /nfs/dbraw/zinc/14/28/46/491142846.db2.gz ZBWVUPXGGYOSJH-KWQFWETISA-N 0 3 224.373 3.291 20 0 BGADHN Cc1ncc([C@@H](C)N[C@@H]2CCC2(C)C)s1 ZINC000309024477 491051747 /nfs/dbraw/zinc/05/17/47/491051747.db2.gz ZBWVUPXGGYOSJH-LDYMZIIASA-N 0 3 224.373 3.291 20 0 BGADHN Cc1ccc([C@H](C)NC2(C3CC3)CC2)o1 ZINC000309025356 323081770 /nfs/dbraw/zinc/08/17/70/323081770.db2.gz ZQBXIOWAXDPTGA-JTQLQIEISA-N 0 3 205.301 3.181 20 0 BGADHN Cc1ccc([C@@H](C)NC2(C3CC3)CC2)o1 ZINC000309025358 323194387 /nfs/dbraw/zinc/19/43/87/323194387.db2.gz ZQBXIOWAXDPTGA-SNVBAGLBSA-N 0 3 205.301 3.181 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2CC[C@@H]2C)oc1C ZINC000309025654 178258539 /nfs/dbraw/zinc/25/85/39/178258539.db2.gz ZUAPMLAAWNVMSP-PEXQALLHSA-N 0 3 207.317 3.346 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CC[C@@H]2C)oc1C ZINC000309025655 178255063 /nfs/dbraw/zinc/25/50/63/178255063.db2.gz ZUAPMLAAWNVMSP-PTOFAABTSA-N 0 3 207.317 3.346 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2CC[C@H]2C)oc1C ZINC000309025656 178259876 /nfs/dbraw/zinc/25/98/76/178259876.db2.gz ZUAPMLAAWNVMSP-QRTLGDNMSA-N 0 3 207.317 3.346 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CC[C@H]2C)oc1C ZINC000309025657 178255668 /nfs/dbraw/zinc/25/56/68/178255668.db2.gz ZUAPMLAAWNVMSP-UBHAPETDSA-N 0 3 207.317 3.346 20 0 BGADHN CCc1cnc(CNC(C)(CC)CC)s1 ZINC000309026532 385377595 /nfs/dbraw/zinc/37/75/95/385377595.db2.gz AWKWRIXNYKNQQV-UHFFFAOYSA-N 0 3 226.389 3.374 20 0 BGADHN CCCc1cccc(CN[C@H](C)CF)c1 ZINC000309029328 385378637 /nfs/dbraw/zinc/37/86/37/385378637.db2.gz CPNXUVRFXPVVNC-LLVKDONJSA-N 0 3 209.308 3.087 20 0 BGADHN CCCc1cccc(CN[C@@H](C)CF)c1 ZINC000309029329 385379804 /nfs/dbraw/zinc/37/98/04/385379804.db2.gz CPNXUVRFXPVVNC-NSHDSACASA-N 0 3 209.308 3.087 20 0 BGADHN CCSc1cccc(CNC2CSC2)c1 ZINC000309029839 410201086 /nfs/dbraw/zinc/20/10/86/410201086.db2.gz CZJYVWBDIYSQKR-UHFFFAOYSA-N 0 3 239.409 3.004 20 0 BGADHN COCC1(N[C@H](C)c2csc(Cl)c2)CC1 ZINC000309030214 323194429 /nfs/dbraw/zinc/19/44/29/323194429.db2.gz DEHQMXMWWZEGTJ-MRVPVSSYSA-N 0 3 245.775 3.231 20 0 BGADHN COCC1(N[C@@H](C)c2csc(Cl)c2)CC1 ZINC000309030215 323194536 /nfs/dbraw/zinc/19/45/36/323194536.db2.gz DEHQMXMWWZEGTJ-QMMMGPOBSA-N 0 3 245.775 3.231 20 0 BGADHN C[C@@H]1CC[C@@H]1NCc1c(F)cccc1Cl ZINC000309031306 176217269 /nfs/dbraw/zinc/21/72/69/176217269.db2.gz BUUFSVPMLCQXMU-PELKAZGASA-N 0 3 227.710 3.367 20 0 BGADHN C[C@@H]1CC[C@H]1NCc1c(F)cccc1Cl ZINC000309031307 176237160 /nfs/dbraw/zinc/23/71/60/176237160.db2.gz BUUFSVPMLCQXMU-PRHODGIISA-N 0 3 227.710 3.367 20 0 BGADHN C[C@H]1CC[C@H]1NCc1c(F)cccc1Cl ZINC000309031308 177207395 /nfs/dbraw/zinc/20/73/95/177207395.db2.gz BUUFSVPMLCQXMU-QPUJVOFHSA-N 0 3 227.710 3.367 20 0 BGADHN COC[C@@H](NCc1cscc1Cl)C(C)C ZINC000309031388 631806193 /nfs/dbraw/zinc/80/61/93/631806193.db2.gz DZRXRMWCOXDFBD-LLVKDONJSA-N 0 3 247.791 3.162 20 0 BGADHN COC[C@H](NCc1cscc1Cl)C(C)C ZINC000309031389 631805772 /nfs/dbraw/zinc/80/57/72/631805772.db2.gz DZRXRMWCOXDFBD-NSHDSACASA-N 0 3 247.791 3.162 20 0 BGADHN C[C@H]1CC[C@@H]1NCc1c(F)cccc1Cl ZINC000309031441 177195318 /nfs/dbraw/zinc/19/53/18/177195318.db2.gz BUUFSVPMLCQXMU-UFBFGSQYSA-N 0 3 227.710 3.367 20 0 BGADHN CCSCCNCc1ccc(Cl)c(C)c1 ZINC000309032441 385381133 /nfs/dbraw/zinc/38/11/33/385381133.db2.gz FQSQPZCIWGEHJB-UHFFFAOYSA-N 0 3 243.803 3.491 20 0 BGADHN CCc1ccc([C@H](C)N[C@@H]2CC[C@@H]2C)o1 ZINC000309032661 188166689 /nfs/dbraw/zinc/16/66/89/188166689.db2.gz FVPGSPBTCVGKHA-JBLDHEPKSA-N 0 3 207.317 3.291 20 0 BGADHN CCc1ccc([C@H](C)N[C@@H]2CC[C@H]2C)o1 ZINC000309032662 385380969 /nfs/dbraw/zinc/38/09/69/385380969.db2.gz FVPGSPBTCVGKHA-JFGNBEQYSA-N 0 3 207.317 3.291 20 0 BGADHN CCc1ccc([C@H](C)N[C@H]2CC[C@@H]2C)o1 ZINC000309032663 385380219 /nfs/dbraw/zinc/38/02/19/385380219.db2.gz FVPGSPBTCVGKHA-NHCYSSNCSA-N 0 3 207.317 3.291 20 0 BGADHN CCc1ccc([C@H](C)N[C@H]2CC[C@H]2C)o1 ZINC000309032664 385380822 /nfs/dbraw/zinc/38/08/22/385380822.db2.gz FVPGSPBTCVGKHA-SCVCMEIPSA-N 0 3 207.317 3.291 20 0 BGADHN C/C=C\CN[C@@H](CC)c1ccc(F)cc1 ZINC000309033252 342881884 /nfs/dbraw/zinc/88/18/84/342881884.db2.gz GJKMSWKUJLLZHT-DXTPNHAXSA-N 0 3 207.292 3.443 20 0 BGADHN C/C=C\CN[C@H](CC)c1ccc(F)cc1 ZINC000309033253 342881968 /nfs/dbraw/zinc/88/19/68/342881968.db2.gz GJKMSWKUJLLZHT-HSBHDXMMSA-N 0 3 207.292 3.443 20 0 BGADHN C/C=C/CN[C@@H](CC)c1ccc(F)cc1 ZINC000309033254 342881880 /nfs/dbraw/zinc/88/18/80/342881880.db2.gz GJKMSWKUJLLZHT-LQPUYASZSA-N 0 3 207.292 3.443 20 0 BGADHN C/C=C/CN[C@H](CC)c1ccc(F)cc1 ZINC000309033255 342881985 /nfs/dbraw/zinc/88/19/85/342881985.db2.gz GJKMSWKUJLLZHT-MASHWEEQSA-N 0 3 207.292 3.443 20 0 BGADHN CCc1cnc(CNCCC=C(C)C)s1 ZINC000309034825 346956108 /nfs/dbraw/zinc/95/61/08/346956108.db2.gz HNPAMGMZSCFIBW-UHFFFAOYSA-N 0 3 224.373 3.151 20 0 BGADHN CCc1cnc(CNC2(CC)CCC2)s1 ZINC000309035676 346956715 /nfs/dbraw/zinc/95/67/15/346956715.db2.gz HYDYTPDEFLUBTA-UHFFFAOYSA-N 0 3 224.373 3.128 20 0 BGADHN CCc1nc([C@H](C)NC[C@@H]2C[C@@H]2C)cs1 ZINC000309037257 172006350 /nfs/dbraw/zinc/00/63/50/172006350.db2.gz IWSFTWUDWJNYKG-GUBZILKMSA-N 0 3 224.373 3.012 20 0 BGADHN CCc1nc([C@H](C)NC[C@H]2C[C@H]2C)cs1 ZINC000309037258 172005588 /nfs/dbraw/zinc/00/55/88/172005588.db2.gz IWSFTWUDWJNYKG-KXUCPTDWSA-N 0 3 224.373 3.012 20 0 BGADHN CCc1nc([C@H](C)NC[C@H]2C[C@@H]2C)cs1 ZINC000309037259 172006201 /nfs/dbraw/zinc/00/62/01/172006201.db2.gz IWSFTWUDWJNYKG-LPEHRKFASA-N 0 3 224.373 3.012 20 0 BGADHN CCc1nc([C@H](C)NC[C@@H]2C[C@H]2C)cs1 ZINC000309037260 172005729 /nfs/dbraw/zinc/00/57/29/172005729.db2.gz IWSFTWUDWJNYKG-UTLUCORTSA-N 0 3 224.373 3.012 20 0 BGADHN CCOCCCCNCc1ccsc1Cl ZINC000309038693 170368979 /nfs/dbraw/zinc/36/89/79/170368979.db2.gz JSPBJWRDVGEROA-UHFFFAOYSA-N 0 3 247.791 3.308 20 0 BGADHN CCOC(C)(C)CNCc1ccsc1Cl ZINC000309039182 170313277 /nfs/dbraw/zinc/31/32/77/170313277.db2.gz KCQKDRBCJQDFCP-UHFFFAOYSA-N 0 3 247.791 3.306 20 0 BGADHN CCNc1c(C)cnc2c(C)cccc21 ZINC000309039602 170170608 /nfs/dbraw/zinc/17/06/08/170170608.db2.gz KMXBUIHURMUPID-UHFFFAOYSA-N 0 3 200.285 3.283 20 0 BGADHN CCc1cccc(Cl)c1CNCCSC ZINC000309039948 349367766 /nfs/dbraw/zinc/36/77/66/349367766.db2.gz KOWVTJDPZYIVPK-UHFFFAOYSA-N 0 3 243.803 3.355 20 0 BGADHN CCCc1csc(CNC(CC)CC)n1 ZINC000309040438 385377839 /nfs/dbraw/zinc/37/78/39/385377839.db2.gz KWPBYSIWCRMPDJ-UHFFFAOYSA-N 0 3 226.389 3.374 20 0 BGADHN CCc1cccc(F)c1CNC1CCC1 ZINC000309040887 385377852 /nfs/dbraw/zinc/37/78/52/385377852.db2.gz LDYRMFQCHGCHEA-UHFFFAOYSA-N 0 3 207.292 3.030 20 0 BGADHN CCCc1csc(CNC(C)(C)CC)n1 ZINC000309044075 385389771 /nfs/dbraw/zinc/38/97/71/385389771.db2.gz NDUGUECZFHSYFG-UHFFFAOYSA-N 0 3 226.389 3.374 20 0 BGADHN C/C=C/CN[C@@H](C)c1ccc(F)c(F)c1 ZINC000309044105 410855039 /nfs/dbraw/zinc/85/50/39/410855039.db2.gz NFJTYKSWLLHVEY-NWALNABHSA-N 0 3 211.255 3.192 20 0 BGADHN C/C=C\CN[C@@H](C)c1ccc(F)c(F)c1 ZINC000309044106 410209166 /nfs/dbraw/zinc/20/91/66/410209166.db2.gz NFJTYKSWLLHVEY-TYRPZCRBSA-N 0 3 211.255 3.192 20 0 BGADHN COCCCCCNCc1ccsc1Cl ZINC000309044146 174183385 /nfs/dbraw/zinc/18/33/85/174183385.db2.gz NGLRBCIVGZCPJB-UHFFFAOYSA-N 0 3 247.791 3.308 20 0 BGADHN COCCC(C)(C)NCc1cscc1Cl ZINC000309046113 491143416 /nfs/dbraw/zinc/14/34/16/491143416.db2.gz OSJPKSUXASDIFL-UHFFFAOYSA-N 0 3 247.791 3.306 20 0 BGADHN CCc1nc(CNC(C)(C)C(C)C)cs1 ZINC000309046295 323205537 /nfs/dbraw/zinc/20/55/37/323205537.db2.gz OVYYBUNTVDTUJY-UHFFFAOYSA-N 0 3 226.389 3.230 20 0 BGADHN COCC1(N[C@H](C)c2ccc(Cl)s2)CC1 ZINC000309048934 323205400 /nfs/dbraw/zinc/20/54/00/323205400.db2.gz PTKDSNOGYHWSIQ-MRVPVSSYSA-N 0 3 245.775 3.231 20 0 BGADHN COCC1(N[C@@H](C)c2ccc(Cl)s2)CC1 ZINC000309048935 323205402 /nfs/dbraw/zinc/20/54/02/323205402.db2.gz PTKDSNOGYHWSIQ-QMMMGPOBSA-N 0 3 245.775 3.231 20 0 BGADHN CCc1cccc(Cl)c1CNCC1CC1 ZINC000309049668 529171614 /nfs/dbraw/zinc/17/16/14/529171614.db2.gz QFIAFOUWILZWQY-UHFFFAOYSA-N 0 3 223.747 3.402 20 0 BGADHN CCC1CC(NCc2nc(C)c(C)s2)C1 ZINC000309050760 385383626 /nfs/dbraw/zinc/38/36/26/385383626.db2.gz QZLXFMHJVGTXLG-UHFFFAOYSA-N 0 3 224.373 3.038 20 0 BGADHN COCCC(C)(C)NCc1sccc1Cl ZINC000309051972 385384203 /nfs/dbraw/zinc/38/42/03/385384203.db2.gz RKLDINGXWHFNBM-UHFFFAOYSA-N 0 3 247.791 3.306 20 0 BGADHN CCc1cccc(Cl)c1CNCCCF ZINC000309052658 323221069 /nfs/dbraw/zinc/22/10/69/323221069.db2.gz RSZNOHXMSKQGFE-UHFFFAOYSA-N 0 3 229.726 3.352 20 0 BGADHN CCc1ccc(CNCCC=C(C)C)o1 ZINC000309052911 385385991 /nfs/dbraw/zinc/38/59/91/385385991.db2.gz RZBCBUSGDXXUNJ-UHFFFAOYSA-N 0 3 207.317 3.288 20 0 BGADHN CCCc1csc(CNCC(C)(C)C)n1 ZINC000309054978 385387072 /nfs/dbraw/zinc/38/70/72/385387072.db2.gz TXOJFJMSSJXZEI-UHFFFAOYSA-N 0 3 226.389 3.231 20 0 BGADHN CCCc1ccc(CN[C@H](C)CF)cc1 ZINC000309056418 491143566 /nfs/dbraw/zinc/14/35/66/491143566.db2.gz UPBUTYJYOPGBPX-LLVKDONJSA-N 0 3 209.308 3.087 20 0 BGADHN CCc1ccc([C@H](C)NCC2(C)CC2)o1 ZINC000309056442 385394683 /nfs/dbraw/zinc/39/46/83/385394683.db2.gz UPYXQHDNYZXMOC-JTQLQIEISA-N 0 3 207.317 3.293 20 0 BGADHN CCc1ccc([C@@H](C)NCC2(C)CC2)o1 ZINC000309056443 385394676 /nfs/dbraw/zinc/39/46/76/385394676.db2.gz UPYXQHDNYZXMOC-SNVBAGLBSA-N 0 3 207.317 3.293 20 0 BGADHN CCO[C@@H]1C[C@H]1N[C@@H](C)c1ccc(Cl)s1 ZINC000309057719 349439350 /nfs/dbraw/zinc/43/93/50/349439350.db2.gz VDLCGPSXVACCJK-DJLDLDEBSA-N 0 3 245.775 3.230 20 0 BGADHN CCO[C@@H]1C[C@@H]1N[C@H](C)c1ccc(Cl)s1 ZINC000309057722 346959138 /nfs/dbraw/zinc/95/91/38/346959138.db2.gz VDLCGPSXVACCJK-HRDYMLBCSA-N 0 3 245.775 3.230 20 0 BGADHN CCO[C@@H]1C[C@H]1N[C@H](C)c1ccc(Cl)s1 ZINC000309057724 349438870 /nfs/dbraw/zinc/43/88/70/349438870.db2.gz VDLCGPSXVACCJK-IWSPIJDZSA-N 0 3 245.775 3.230 20 0 BGADHN CCO[C@@H]1C[C@@H]1N[C@@H](C)c1ccc(Cl)s1 ZINC000309057726 349439104 /nfs/dbraw/zinc/43/91/04/349439104.db2.gz VDLCGPSXVACCJK-XHNCKOQMSA-N 0 3 245.775 3.230 20 0 BGADHN CCc1ccc(CNC2CC(F)(F)C2)s1 ZINC000309058781 398065727 /nfs/dbraw/zinc/06/57/27/398065727.db2.gz VPDISUSSHPCJHA-UHFFFAOYSA-N 0 3 231.311 3.198 20 0 BGADHN CCc1ccc(CN[C@@H]2CSC2(C)C)s1 ZINC000309063117 487633653 /nfs/dbraw/zinc/63/36/53/487633653.db2.gz XXUPCIGBJNPZQP-LLVKDONJSA-N 0 3 241.425 3.294 20 0 BGADHN CCc1ccc(CN[C@H]2CSC2(C)C)s1 ZINC000309063118 487633486 /nfs/dbraw/zinc/63/34/86/487633486.db2.gz XXUPCIGBJNPZQP-NSHDSACASA-N 0 3 241.425 3.294 20 0 BGADHN CCc1nc([C@@H](C)NCCC2CC2)cs1 ZINC000309063983 172003385 /nfs/dbraw/zinc/00/33/85/172003385.db2.gz YIMXHROUBDJNMF-SECBINFHSA-N 0 3 224.373 3.156 20 0 BGADHN CCc1nc([C@H](C)NCCC2CC2)cs1 ZINC000309063984 172005503 /nfs/dbraw/zinc/00/55/03/172005503.db2.gz YIMXHROUBDJNMF-VIFPVBQESA-N 0 3 224.373 3.156 20 0 BGADHN CCc1ccc(CN[C@@H]2CCC2(C)C)o1 ZINC000309064634 171809367 /nfs/dbraw/zinc/80/93/67/171809367.db2.gz YLWSXKYOCVMJPZ-GFCCVEGCSA-N 0 3 207.317 3.120 20 0 BGADHN CCc1ccc(CN[C@H]2CCC2(C)C)o1 ZINC000309064635 385390483 /nfs/dbraw/zinc/39/04/83/385390483.db2.gz YLWSXKYOCVMJPZ-LBPRGKRZSA-N 0 3 207.317 3.120 20 0 BGADHN Cc1ccc(F)c(CN[C@H]2CC[C@@H]2C)c1 ZINC000309065871 385392068 /nfs/dbraw/zinc/39/20/68/385392068.db2.gz ZIXAHHMOFJAALQ-GWCFXTLKSA-N 0 3 207.292 3.022 20 0 BGADHN Cc1ccc(F)c(CN[C@@H]2CC[C@@H]2C)c1 ZINC000309065872 385392854 /nfs/dbraw/zinc/39/28/54/385392854.db2.gz ZIXAHHMOFJAALQ-GXFFZTMASA-N 0 3 207.292 3.022 20 0 BGADHN Cc1ccc(F)c(CN[C@H]2CC[C@H]2C)c1 ZINC000309065873 385392906 /nfs/dbraw/zinc/39/29/06/385392906.db2.gz ZIXAHHMOFJAALQ-MFKMUULPSA-N 0 3 207.292 3.022 20 0 BGADHN Cc1ccc(F)c(CN[C@@H]2CC[C@H]2C)c1 ZINC000309065874 385392232 /nfs/dbraw/zinc/39/22/32/385392232.db2.gz ZIXAHHMOFJAALQ-ZWNOBZJWSA-N 0 3 207.292 3.022 20 0 BGADHN CCCc1csc(CNCCC(C)C)n1 ZINC000309066145 385393138 /nfs/dbraw/zinc/39/31/38/385393138.db2.gz ZNZCYJFDHCPHLM-UHFFFAOYSA-N 0 3 226.389 3.231 20 0 BGADHN CSc1ccc(CNC2CC(F)(F)C2)s1 ZINC000309067705 385392283 /nfs/dbraw/zinc/39/22/83/385392283.db2.gz AZMZUPBCPXVJNA-UHFFFAOYSA-N 0 3 249.351 3.357 20 0 BGADHN CSc1ccc([C@@H](C)NC2CSC2)cc1 ZINC000309068730 491144010 /nfs/dbraw/zinc/14/40/10/491144010.db2.gz BOTFUJNSJXFNSG-SECBINFHSA-N 0 3 239.409 3.175 20 0 BGADHN CS[C@@H](CNCc1cncs1)C(C)(C)C ZINC000309069429 385394129 /nfs/dbraw/zinc/39/41/29/385394129.db2.gz BYEHCQBBOZEOBF-JTQLQIEISA-N 0 3 244.429 3.010 20 0 BGADHN CS[C@H](CNCc1cncs1)C(C)(C)C ZINC000309069430 385394483 /nfs/dbraw/zinc/39/44/83/385394483.db2.gz BYEHCQBBOZEOBF-SNVBAGLBSA-N 0 3 244.429 3.010 20 0 BGADHN Cc1ccsc1CNCc1ccoc1C ZINC000309069992 385402281 /nfs/dbraw/zinc/40/22/81/385402281.db2.gz BBCCLNZZYCBMBQ-UHFFFAOYSA-N 0 3 221.325 3.248 20 0 BGADHN Cc1occc1CNC1CC(C(C)C)C1 ZINC000309072340 491144082 /nfs/dbraw/zinc/14/40/82/491144082.db2.gz FPOGRCSVGYMUOF-UHFFFAOYSA-N 0 3 207.317 3.112 20 0 BGADHN Cc1cc(C)cc(CNC(C)(C)CF)c1 ZINC000309073647 177899457 /nfs/dbraw/zinc/89/94/57/177899457.db2.gz HSZIBAYKBALOFJ-UHFFFAOYSA-N 0 3 209.308 3.141 20 0 BGADHN CC(C)C1CC(NCc2ccc(Cl)o2)C1 ZINC000309074603 538117584 /nfs/dbraw/zinc/11/75/84/538117584.db2.gz IUMQIQAJNYOGOC-UHFFFAOYSA-N 0 3 227.735 3.457 20 0 BGADHN CC(C)(C)[C@H](NCCF)c1ccccc1 ZINC000309076729 526708890 /nfs/dbraw/zinc/70/88/90/526708890.db2.gz LHMAXBNISGHRAW-GFCCVEGCSA-N 0 3 209.308 3.333 20 0 BGADHN CC(C)(C)[C@@H](NCCF)c1ccccc1 ZINC000309076730 526637736 /nfs/dbraw/zinc/63/77/36/526637736.db2.gz LHMAXBNISGHRAW-LBPRGKRZSA-N 0 3 209.308 3.333 20 0 BGADHN CC(C)[C@@H](NCCF)c1ccc(F)cc1 ZINC000309078175 385398754 /nfs/dbraw/zinc/39/87/54/385398754.db2.gz NBIZSMLZBSEQEF-GFCCVEGCSA-N 0 3 213.271 3.082 20 0 BGADHN CC(C)[C@H](NCCF)c1ccc(F)cc1 ZINC000309078176 385398648 /nfs/dbraw/zinc/39/86/48/385398648.db2.gz NBIZSMLZBSEQEF-LBPRGKRZSA-N 0 3 213.271 3.082 20 0 BGADHN CC(C)[C@H]1CC[C@@H]1N[C@@H](C)c1nccs1 ZINC000309079956 487642053 /nfs/dbraw/zinc/64/20/53/487642053.db2.gz OEHLXNDDBAITRK-AXFHLTTASA-N 0 3 224.373 3.228 20 0 BGADHN CC(C)[C@@H]1CC[C@@H]1N[C@@H](C)c1nccs1 ZINC000309079957 488006149 /nfs/dbraw/zinc/00/61/49/488006149.db2.gz OEHLXNDDBAITRK-DCAQKATOSA-N 0 3 224.373 3.228 20 0 BGADHN CC(C)[C@@H]1CC[C@H]1N[C@@H](C)c1nccs1 ZINC000309079958 487642057 /nfs/dbraw/zinc/64/20/57/487642057.db2.gz OEHLXNDDBAITRK-GARJFASQSA-N 0 3 224.373 3.228 20 0 BGADHN CC(C)[C@H]1CC[C@H]1N[C@@H](C)c1nccs1 ZINC000309079959 487642019 /nfs/dbraw/zinc/64/20/19/487642019.db2.gz OEHLXNDDBAITRK-HBNTYKKESA-N 0 3 224.373 3.228 20 0 BGADHN CC(C)=CCNCc1cc(C)nc(Cl)c1 ZINC000309079969 631837646 /nfs/dbraw/zinc/83/76/46/631837646.db2.gz OFEMEVFYFCMPPG-UHFFFAOYSA-N 0 3 224.735 3.099 20 0 BGADHN CC(C)(C)OCCNCc1cc(Cl)cs1 ZINC000309081332 323314648 /nfs/dbraw/zinc/31/46/48/323314648.db2.gz QAEMTBKPQWVCOK-UHFFFAOYSA-N 0 3 247.791 3.306 20 0 BGADHN CS[C@H](C)CN[C@H](C)c1cc(C)c(C)o1 ZINC000309081940 385401033 /nfs/dbraw/zinc/40/10/33/385401033.db2.gz QYSOYRUJHRTOIU-NXEZZACHSA-N 0 3 227.373 3.299 20 0 BGADHN CS[C@@H](C)CN[C@@H](C)c1cc(C)c(C)o1 ZINC000309081941 385401341 /nfs/dbraw/zinc/40/13/41/385401341.db2.gz QYSOYRUJHRTOIU-UWVGGRQHSA-N 0 3 227.373 3.299 20 0 BGADHN CS[C@@H](C)CN[C@H](C)c1cc(C)c(C)o1 ZINC000309081942 385401154 /nfs/dbraw/zinc/40/11/54/385401154.db2.gz QYSOYRUJHRTOIU-VHSXEESVSA-N 0 3 227.373 3.299 20 0 BGADHN CS[C@H](C)CN[C@@H](C)c1cc(C)c(C)o1 ZINC000309081943 385401202 /nfs/dbraw/zinc/40/12/02/385401202.db2.gz QYSOYRUJHRTOIU-ZJUUUORDSA-N 0 3 227.373 3.299 20 0 BGADHN Cc1occc1CNC1CC2(CCC2)C1 ZINC000309082410 491052240 /nfs/dbraw/zinc/05/22/40/491052240.db2.gz RQDCBZJHFAFCBE-UHFFFAOYSA-N 0 3 205.301 3.010 20 0 BGADHN CSc1ccccc1[C@@H](C)NC1CSC1 ZINC000309083377 487699769 /nfs/dbraw/zinc/69/97/69/487699769.db2.gz SWTKBSQILNIUGI-SECBINFHSA-N 0 3 239.409 3.175 20 0 BGADHN CS[C@H](CNCc1nccs1)C(C)(C)C ZINC000309083432 349964360 /nfs/dbraw/zinc/96/43/60/349964360.db2.gz TUFCHYUCUAQWNL-SECBINFHSA-N 0 3 244.429 3.010 20 0 BGADHN CS[C@@H](CNCc1nccs1)C(C)(C)C ZINC000309083433 349964546 /nfs/dbraw/zinc/96/45/46/349964546.db2.gz TUFCHYUCUAQWNL-VIFPVBQESA-N 0 3 244.429 3.010 20 0 BGADHN Cc1occc1CN[C@@H]1CCC12CCC2 ZINC000309084998 487648694 /nfs/dbraw/zinc/64/86/94/487648694.db2.gz WDNRZGHSQGEBNF-GFCCVEGCSA-N 0 3 205.301 3.010 20 0 BGADHN Cc1occc1CN[C@H]1CCC12CCC2 ZINC000309084999 487648898 /nfs/dbraw/zinc/64/88/98/487648898.db2.gz WDNRZGHSQGEBNF-LBPRGKRZSA-N 0 3 205.301 3.010 20 0 BGADHN CC(C)C(N[C@@H](C)c1cscn1)C(C)C ZINC000309085191 491144244 /nfs/dbraw/zinc/14/42/44/491144244.db2.gz WLGYDTWZDNKKPO-JTQLQIEISA-N 0 3 226.389 3.474 20 0 BGADHN CC(C)C(N[C@H](C)c1cscn1)C(C)C ZINC000309085192 491144263 /nfs/dbraw/zinc/14/42/63/491144263.db2.gz WLGYDTWZDNKKPO-SNVBAGLBSA-N 0 3 226.389 3.474 20 0 BGADHN CSc1cccc(F)c1CNCC1CC1 ZINC000309085852 385410502 /nfs/dbraw/zinc/41/05/02/385410502.db2.gz XJUYKUMKLKQAKT-UHFFFAOYSA-N 0 3 225.332 3.047 20 0 BGADHN Cc1ccccc1[C@H](NCCF)C(C)C ZINC000309086043 229330412 /nfs/dbraw/zinc/33/04/12/229330412.db2.gz XTDRCPZOKZQUIT-CYBMUJFWSA-N 0 3 209.308 3.251 20 0 BGADHN Cc1ccccc1[C@@H](NCCF)C(C)C ZINC000309086044 229331102 /nfs/dbraw/zinc/33/11/02/229331102.db2.gz XTDRCPZOKZQUIT-ZDUSSCGKSA-N 0 3 209.308 3.251 20 0 BGADHN CC[C@H](NC1CC(C)(C)C1)c1nccs1 ZINC000309088003 384987664 /nfs/dbraw/zinc/98/76/64/384987664.db2.gz BDXXMUBJSQUZEL-JTQLQIEISA-N 0 3 224.373 3.372 20 0 BGADHN CC[C@@H](NC1CC(C)(C)C1)c1nccs1 ZINC000309088006 170889676 /nfs/dbraw/zinc/88/96/76/170889676.db2.gz BDXXMUBJSQUZEL-SNVBAGLBSA-N 0 3 224.373 3.372 20 0 BGADHN Cc1ccc(CNC(C)(C)CF)cc1Cl ZINC000309088976 534052593 /nfs/dbraw/zinc/05/25/93/534052593.db2.gz BLEZEKJXQUGDIV-UHFFFAOYSA-N 0 3 229.726 3.486 20 0 BGADHN C[C@@]1(NCc2cscc2Cl)CCCOC1 ZINC000309089879 491144486 /nfs/dbraw/zinc/14/44/86/491144486.db2.gz AQPBKOIUDDDUOT-LLVKDONJSA-N 0 3 245.775 3.060 20 0 BGADHN C[C@]1(NCc2cscc2Cl)CCCOC1 ZINC000309089880 491144536 /nfs/dbraw/zinc/14/45/36/491144536.db2.gz AQPBKOIUDDDUOT-NSHDSACASA-N 0 3 245.775 3.060 20 0 BGADHN Cc1ccccc1[C@H](NCCF)C1CC1 ZINC000309090984 179344276 /nfs/dbraw/zinc/34/42/76/179344276.db2.gz CCCOUJYDSRLZEV-CYBMUJFWSA-N 0 3 207.292 3.005 20 0 BGADHN Cc1ccccc1[C@@H](NCCF)C1CC1 ZINC000309090985 179325875 /nfs/dbraw/zinc/32/58/75/179325875.db2.gz CCCOUJYDSRLZEV-ZDUSSCGKSA-N 0 3 207.292 3.005 20 0 BGADHN FCCCCNCc1cccc(Cl)c1F ZINC000309091845 385413350 /nfs/dbraw/zinc/41/33/50/385413350.db2.gz BKTCSZJOISKXMQ-UHFFFAOYSA-N 0 3 233.689 3.318 20 0 BGADHN C[C@@H]1CCCC[C@H]1N[C@@H]1CCCC1(F)F ZINC000309094602 491144650 /nfs/dbraw/zinc/14/46/50/491144650.db2.gz CHYVUOQKLHWXDS-GMTAPVOTSA-N 0 3 217.303 3.343 20 0 BGADHN C[C@@H]1CCCC[C@H]1N[C@H]1CCCC1(F)F ZINC000309094604 491144666 /nfs/dbraw/zinc/14/46/66/491144666.db2.gz CHYVUOQKLHWXDS-MXWKQRLJSA-N 0 3 217.303 3.343 20 0 BGADHN C[C@@H]1CCCC[C@@H]1N[C@@H]1CCCC1(F)F ZINC000309094605 491144780 /nfs/dbraw/zinc/14/47/80/491144780.db2.gz CHYVUOQKLHWXDS-OUAUKWLOSA-N 0 3 217.303 3.343 20 0 BGADHN C[C@@H]1CCCC[C@@H]1N[C@H]1CCCC1(F)F ZINC000309094606 491144764 /nfs/dbraw/zinc/14/47/64/491144764.db2.gz CHYVUOQKLHWXDS-VWYCJHECSA-N 0 3 217.303 3.343 20 0 BGADHN CC[C@@H]1CC[C@@H]1N[C@@H](C)c1nc(C)cs1 ZINC000309095139 171043556 /nfs/dbraw/zinc/04/35/56/171043556.db2.gz DODQVQGMGZAKCK-AXFHLTTASA-N 0 3 224.373 3.291 20 0 BGADHN CC[C@@H]1CC[C@H]1N[C@H](C)c1nc(C)cs1 ZINC000309095140 171060494 /nfs/dbraw/zinc/06/04/94/171060494.db2.gz DODQVQGMGZAKCK-GMTAPVOTSA-N 0 3 224.373 3.291 20 0 BGADHN CC[C@@H]1CC[C@H]1N[C@@H](C)c1nc(C)cs1 ZINC000309095141 171059952 /nfs/dbraw/zinc/05/99/52/171059952.db2.gz DODQVQGMGZAKCK-HBNTYKKESA-N 0 3 224.373 3.291 20 0 BGADHN CC[C@@H]1CC[C@@H]1N[C@H](C)c1nc(C)cs1 ZINC000309095142 171044718 /nfs/dbraw/zinc/04/47/18/171044718.db2.gz DODQVQGMGZAKCK-MXWKQRLJSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1cc(CNCCSC(C)(C)C)sn1 ZINC000309095960 631879639 /nfs/dbraw/zinc/87/96/39/631879639.db2.gz DWHFACLSACFQCJ-UHFFFAOYSA-N 0 3 244.429 3.073 20 0 BGADHN C[C@H](NCCC1(F)CCC1)c1ccoc1 ZINC000309096950 349985015 /nfs/dbraw/zinc/98/50/15/349985015.db2.gz DGXGLCFQUNRDJQ-JTQLQIEISA-N 0 3 211.280 3.213 20 0 BGADHN C[C@@H](NCCC1(F)CCC1)c1ccoc1 ZINC000309096951 349985258 /nfs/dbraw/zinc/98/52/58/349985258.db2.gz DGXGLCFQUNRDJQ-SNVBAGLBSA-N 0 3 211.280 3.213 20 0 BGADHN CC/C=C\CCN[C@@H](C)c1ncc(C)s1 ZINC000309098464 385407851 /nfs/dbraw/zinc/40/78/51/385407851.db2.gz FTDQFHOWFPIFDW-GZTOBOFZSA-N 0 3 224.373 3.458 20 0 BGADHN CC/C=C\CCN[C@H](C)c1ncc(C)s1 ZINC000309098465 385407154 /nfs/dbraw/zinc/40/71/54/385407154.db2.gz FTDQFHOWFPIFDW-ISALQUGTSA-N 0 3 224.373 3.458 20 0 BGADHN CC1(C)SC[C@H]1NCc1ccccc1Cl ZINC000309101251 397850318 /nfs/dbraw/zinc/85/03/18/397850318.db2.gz FTYNYCPKMKHOPL-LLVKDONJSA-N 0 3 241.787 3.324 20 0 BGADHN CC1(C)SC[C@@H]1NCc1ccccc1Cl ZINC000309101252 397850212 /nfs/dbraw/zinc/85/02/12/397850212.db2.gz FTYNYCPKMKHOPL-NSHDSACASA-N 0 3 241.787 3.324 20 0 BGADHN CC1(CCNCc2ccccc2F)CC1 ZINC000309102247 168020227 /nfs/dbraw/zinc/02/02/27/168020227.db2.gz GJOLDQJKYFNFSH-UHFFFAOYSA-N 0 3 207.292 3.106 20 0 BGADHN C/C=C\CNCc1ccccc1C(F)(F)F ZINC000309103598 342893091 /nfs/dbraw/zinc/89/30/91/342893091.db2.gz VONLUPRBRYOVIW-IHWYPQMZSA-N 0 3 229.245 3.371 20 0 BGADHN Cc1cc([C@H](C)NCCC(C)(C)C)no1 ZINC000309104683 385424182 /nfs/dbraw/zinc/42/41/82/385424182.db2.gz HKELXPODEHAFCK-JTQLQIEISA-N 0 3 210.321 3.070 20 0 BGADHN Cc1cc([C@@H](C)NCCC(C)(C)C)no1 ZINC000309104684 178222434 /nfs/dbraw/zinc/22/24/34/178222434.db2.gz HKELXPODEHAFCK-SNVBAGLBSA-N 0 3 210.321 3.070 20 0 BGADHN C[C@@H]1C[C@H](NCc2cscc2Cl)CCO1 ZINC000309111488 491144884 /nfs/dbraw/zinc/14/48/84/491144884.db2.gz JVGLJWNYZWFTJO-PSASIEDQSA-N 0 3 245.775 3.059 20 0 BGADHN C[C@@H]1C[C@@H](NCc2cscc2Cl)CCO1 ZINC000309111491 491144898 /nfs/dbraw/zinc/14/48/98/491144898.db2.gz JVGLJWNYZWFTJO-SCZZXKLOSA-N 0 3 245.775 3.059 20 0 BGADHN C[C@H]1C[C@H](NCc2cscc2Cl)CCO1 ZINC000309111495 491144921 /nfs/dbraw/zinc/14/49/21/491144921.db2.gz JVGLJWNYZWFTJO-WCBMZHEXSA-N 0 3 245.775 3.059 20 0 BGADHN C[C@H]1C[C@@H](NCc2cscc2Cl)CCO1 ZINC000309111497 491144862 /nfs/dbraw/zinc/14/48/62/491144862.db2.gz JVGLJWNYZWFTJO-WPRPVWTQSA-N 0 3 245.775 3.059 20 0 BGADHN C[C@]1(CNCc2cscc2Cl)CCCO1 ZINC000309112117 491052462 /nfs/dbraw/zinc/05/24/62/491052462.db2.gz KAUPRDVCEDQHEE-LLVKDONJSA-N 0 3 245.775 3.060 20 0 BGADHN C[C@@]1(CNCc2cscc2Cl)CCCO1 ZINC000309112118 491144911 /nfs/dbraw/zinc/14/49/11/491144911.db2.gz KAUPRDVCEDQHEE-NSHDSACASA-N 0 3 245.775 3.060 20 0 BGADHN C[C@@H]1OCC[C@@]1(C)NCc1cscc1Cl ZINC000309112119 491144864 /nfs/dbraw/zinc/14/48/64/491144864.db2.gz KAWKLSNABOFUTK-GZMMTYOYSA-N 0 3 245.775 3.059 20 0 BGADHN C[C@H]1OCC[C@]1(C)NCc1cscc1Cl ZINC000309112120 491144903 /nfs/dbraw/zinc/14/49/03/491144903.db2.gz KAWKLSNABOFUTK-KCJUWKMLSA-N 0 3 245.775 3.059 20 0 BGADHN C[C@@H]1OCC[C@]1(C)NCc1cscc1Cl ZINC000309112121 491144869 /nfs/dbraw/zinc/14/48/69/491144869.db2.gz KAWKLSNABOFUTK-KWQFWETISA-N 0 3 245.775 3.059 20 0 BGADHN C[C@H]1OCC[C@@]1(C)NCc1cscc1Cl ZINC000309112122 491144877 /nfs/dbraw/zinc/14/48/77/491144877.db2.gz KAWKLSNABOFUTK-LDYMZIIASA-N 0 3 245.775 3.059 20 0 BGADHN CC1(C)CC[C@@H]1NCc1cccnc1Cl ZINC000309114845 631887920 /nfs/dbraw/zinc/88/79/20/631887920.db2.gz LADDLSFSBRAVSC-JTQLQIEISA-N 0 3 224.735 3.013 20 0 BGADHN CC1(C)CC[C@H]1NCc1cccnc1Cl ZINC000309114846 631887488 /nfs/dbraw/zinc/88/74/88/631887488.db2.gz LADDLSFSBRAVSC-SNVBAGLBSA-N 0 3 224.735 3.013 20 0 BGADHN CCC(C)(C)C[NH2+]Cc1cc([O-])cc(F)c1 ZINC000309118222 168281866 /nfs/dbraw/zinc/28/18/66/168281866.db2.gz QAJAUEPOSRNZBA-UHFFFAOYSA-N 0 3 225.307 3.057 20 0 BGADHN C[C@H](NCCC1(F)CCC1)c1ccco1 ZINC000309121109 385427632 /nfs/dbraw/zinc/42/76/32/385427632.db2.gz NUFKNSUVPTUBLW-JTQLQIEISA-N 0 3 211.280 3.213 20 0 BGADHN C[C@@H](NCCC1(F)CCC1)c1ccco1 ZINC000309121111 385427539 /nfs/dbraw/zinc/42/75/39/385427539.db2.gz NUFKNSUVPTUBLW-SNVBAGLBSA-N 0 3 211.280 3.213 20 0 BGADHN Cc1ccoc1CN[C@H](C)[C@H]1CC1(C)C ZINC000309121291 385428099 /nfs/dbraw/zinc/42/80/99/385428099.db2.gz NXOZJCSLWUDSRI-GHMZBOCLSA-N 0 3 207.317 3.112 20 0 BGADHN Cc1ccoc1CN[C@H](C)[C@@H]1CC1(C)C ZINC000309121292 385428174 /nfs/dbraw/zinc/42/81/74/385428174.db2.gz NXOZJCSLWUDSRI-MNOVXSKESA-N 0 3 207.317 3.112 20 0 BGADHN Cc1ccoc1CN[C@@H](C)[C@@H]1CC1(C)C ZINC000309121293 179529283 /nfs/dbraw/zinc/52/92/83/179529283.db2.gz NXOZJCSLWUDSRI-QWRGUYRKSA-N 0 3 207.317 3.112 20 0 BGADHN Cc1ccoc1CN[C@@H](C)[C@H]1CC1(C)C ZINC000309121294 383867370 /nfs/dbraw/zinc/86/73/70/383867370.db2.gz NXOZJCSLWUDSRI-WDEREUQCSA-N 0 3 207.317 3.112 20 0 BGADHN Cc1sccc1CN[C@H](C)CC(F)(F)F ZINC000309124429 385429106 /nfs/dbraw/zinc/42/91/06/385429106.db2.gz VSINHQFPXIBQRA-SSDOTTSWSA-N 0 3 237.290 3.487 20 0 BGADHN Cc1sccc1CN[C@@H](C)CC(F)(F)F ZINC000309124430 385429824 /nfs/dbraw/zinc/42/98/24/385429824.db2.gz VSINHQFPXIBQRA-ZETCQYMHSA-N 0 3 237.290 3.487 20 0 BGADHN CCC(C)(C)CCN[C@@H](C)c1ccon1 ZINC000309128597 385429758 /nfs/dbraw/zinc/42/97/58/385429758.db2.gz QOVRWOCXMSYCIH-JTQLQIEISA-N 0 3 210.321 3.152 20 0 BGADHN CCC(C)(C)CCN[C@H](C)c1ccon1 ZINC000309128598 168277332 /nfs/dbraw/zinc/27/73/32/168277332.db2.gz QOVRWOCXMSYCIH-SNVBAGLBSA-N 0 3 210.321 3.152 20 0 BGADHN CCC(O)(CC)CNCc1cscc1Cl ZINC000309140112 491145484 /nfs/dbraw/zinc/14/54/84/491145484.db2.gz GWSWTIMEVSTVHI-UHFFFAOYSA-N 0 3 247.791 3.042 20 0 BGADHN C[C@@H](NCCC1(F)CCC1)c1cncs1 ZINC000309140124 385433249 /nfs/dbraw/zinc/43/32/49/385433249.db2.gz SUCRYKQXQIVFSD-SECBINFHSA-N 0 3 228.336 3.076 20 0 BGADHN C[C@H](NCCC1(F)CCC1)c1cncs1 ZINC000309140127 385433420 /nfs/dbraw/zinc/43/34/20/385433420.db2.gz SUCRYKQXQIVFSD-VIFPVBQESA-N 0 3 228.336 3.076 20 0 BGADHN CC[C@@]1(NCc2ccc(Cl)s2)CCOC1 ZINC000309140813 491145486 /nfs/dbraw/zinc/14/54/86/491145486.db2.gz HAXOOJNTTCDWHO-LLVKDONJSA-N 0 3 245.775 3.060 20 0 BGADHN CC[C@]1(NCc2ccc(Cl)s2)CCOC1 ZINC000309140816 491145475 /nfs/dbraw/zinc/14/54/75/491145475.db2.gz HAXOOJNTTCDWHO-NSHDSACASA-N 0 3 245.775 3.060 20 0 BGADHN Cc1nc(CNC2CC(C)(C)C2)sc1C ZINC000309142952 385435412 /nfs/dbraw/zinc/43/54/12/385435412.db2.gz HSTOXEZQVWNVRK-UHFFFAOYSA-N 0 3 224.373 3.038 20 0 BGADHN CC1(NCc2ccsc2Cl)CCOCC1 ZINC000309147067 168063808 /nfs/dbraw/zinc/06/38/08/168063808.db2.gz VLZWAAKSEZEIEI-UHFFFAOYSA-N 0 3 245.775 3.060 20 0 BGADHN C[C@H](NCc1cscc1Cl)[C@H]1CCCO1 ZINC000309150526 632649046 /nfs/dbraw/zinc/64/90/46/632649046.db2.gz WFYFSEAHBKDRJR-GZMMTYOYSA-N 0 3 245.775 3.059 20 0 BGADHN C[C@@H](NCc1cscc1Cl)[C@@H]1CCCO1 ZINC000309150527 632648230 /nfs/dbraw/zinc/64/82/30/632648230.db2.gz WFYFSEAHBKDRJR-KCJUWKMLSA-N 0 3 245.775 3.059 20 0 BGADHN C[C@H](NCc1cscc1Cl)[C@@H]1CCCO1 ZINC000309150528 631910551 /nfs/dbraw/zinc/91/05/51/631910551.db2.gz WFYFSEAHBKDRJR-KWQFWETISA-N 0 3 245.775 3.059 20 0 BGADHN C[C@@H](NCc1cscc1Cl)[C@H]1CCCO1 ZINC000309150529 631909941 /nfs/dbraw/zinc/90/99/41/631909941.db2.gz WFYFSEAHBKDRJR-LDYMZIIASA-N 0 3 245.775 3.059 20 0 BGADHN Cc1cnc(CN[C@@H]2CC=C(C)CC2)s1 ZINC000309159211 168119797 /nfs/dbraw/zinc/11/97/97/168119797.db2.gz YFGOKDJCOIXKTJ-LLVKDONJSA-N 0 3 222.357 3.040 20 0 BGADHN Cc1cnc(CN[C@H]2CC=C(C)CC2)s1 ZINC000309159212 168121158 /nfs/dbraw/zinc/12/11/58/168121158.db2.gz YFGOKDJCOIXKTJ-NSHDSACASA-N 0 3 222.357 3.040 20 0 BGADHN CC1(NCc2scnc2C2CC2)CCC1 ZINC000309162115 491146059 /nfs/dbraw/zinc/14/60/59/491146059.db2.gz ZLSIKUKLUFFTAZ-UHFFFAOYSA-N 0 3 222.357 3.053 20 0 BGADHN CCC(CC)N[C@H](C)c1ccncc1F ZINC000309164469 168392860 /nfs/dbraw/zinc/39/28/60/168392860.db2.gz IJOQMFACTFAOTO-SECBINFHSA-N 0 3 210.296 3.060 20 0 BGADHN CCC(CC)N[C@@H](C)c1ccncc1F ZINC000309164470 168391488 /nfs/dbraw/zinc/39/14/88/168391488.db2.gz IJOQMFACTFAOTO-VIFPVBQESA-N 0 3 210.296 3.060 20 0 BGADHN Cc1ccc([C@H](NC2CC2)C2CCC2)o1 ZINC000309164477 385445189 /nfs/dbraw/zinc/44/51/89/385445189.db2.gz IKFREBFUIZYPHK-CYBMUJFWSA-N 0 3 205.301 3.181 20 0 BGADHN Cc1ccc([C@@H](NC2CC2)C2CCC2)o1 ZINC000309164478 385445002 /nfs/dbraw/zinc/44/50/02/385445002.db2.gz IKFREBFUIZYPHK-ZDUSSCGKSA-N 0 3 205.301 3.181 20 0 BGADHN CC[C@@H](NC1CSC1)c1ccc(C)cc1 ZINC000309168146 491146095 /nfs/dbraw/zinc/14/60/95/491146095.db2.gz JYPBROGLAORPON-CYBMUJFWSA-N 0 3 221.369 3.151 20 0 BGADHN CC[C@H](NC1CSC1)c1ccc(C)cc1 ZINC000309168147 491146124 /nfs/dbraw/zinc/14/61/24/491146124.db2.gz JYPBROGLAORPON-ZDUSSCGKSA-N 0 3 221.369 3.151 20 0 BGADHN CC[C@H](NC1CC(CC)C1)c1nccs1 ZINC000309169400 385447702 /nfs/dbraw/zinc/44/77/02/385447702.db2.gz KQYMAMLQUXWYQV-ILDUYXDCSA-N 0 3 224.373 3.372 20 0 BGADHN CC[C@@H](NC1CC(CC)C1)c1nccs1 ZINC000309169401 385448546 /nfs/dbraw/zinc/44/85/46/385448546.db2.gz KQYMAMLQUXWYQV-VQXHTEKXSA-N 0 3 224.373 3.372 20 0 BGADHN Cc1cc(CNC2CC(F)(F)C2)c(C)s1 ZINC000309169730 178018611 /nfs/dbraw/zinc/01/86/11/178018611.db2.gz KVIPRRULXWHAAJ-UHFFFAOYSA-N 0 3 231.311 3.252 20 0 BGADHN CC[C@H]1CC[C@@H]1NCc1ccccc1F ZINC000309170657 385448155 /nfs/dbraw/zinc/44/81/55/385448155.db2.gz LGPXXXGHQWPLJV-GWCFXTLKSA-N 0 3 207.292 3.104 20 0 BGADHN CC[C@H]1CC[C@H]1NCc1ccccc1F ZINC000309170658 385448002 /nfs/dbraw/zinc/44/80/02/385448002.db2.gz LGPXXXGHQWPLJV-GXFFZTMASA-N 0 3 207.292 3.104 20 0 BGADHN CC[C@@H]1CC[C@@H]1NCc1ccccc1F ZINC000309170659 171044041 /nfs/dbraw/zinc/04/40/41/171044041.db2.gz LGPXXXGHQWPLJV-MFKMUULPSA-N 0 3 207.292 3.104 20 0 BGADHN CC[C@@H]1CC[C@H]1NCc1ccccc1F ZINC000309170660 171059015 /nfs/dbraw/zinc/05/90/15/171059015.db2.gz LGPXXXGHQWPLJV-ZWNOBZJWSA-N 0 3 207.292 3.104 20 0 BGADHN CCC[C@@H](C)N[C@H](C)c1ccncc1F ZINC000309170910 169371179 /nfs/dbraw/zinc/37/11/79/169371179.db2.gz LHIUEOVHLYTOKS-NXEZZACHSA-N 0 3 210.296 3.060 20 0 BGADHN CCC[C@H](C)N[C@@H](C)c1ccncc1F ZINC000309170912 385448976 /nfs/dbraw/zinc/44/89/76/385448976.db2.gz LHIUEOVHLYTOKS-UWVGGRQHSA-N 0 3 210.296 3.060 20 0 BGADHN CCC[C@H](C)N[C@H](C)c1ccncc1F ZINC000309170913 385448953 /nfs/dbraw/zinc/44/89/53/385448953.db2.gz LHIUEOVHLYTOKS-VHSXEESVSA-N 0 3 210.296 3.060 20 0 BGADHN CCC[C@@H](C)N[C@@H](C)c1ccncc1F ZINC000309170915 169370871 /nfs/dbraw/zinc/37/08/71/169370871.db2.gz LHIUEOVHLYTOKS-ZJUUUORDSA-N 0 3 210.296 3.060 20 0 BGADHN CC[C@@H](NCCC1CC1)c1nc(C)cs1 ZINC000309170928 170893695 /nfs/dbraw/zinc/89/36/95/170893695.db2.gz LHVZZCVBLUEGNZ-LLVKDONJSA-N 0 3 224.373 3.292 20 0 BGADHN CC[C@H](NCCC1CC1)c1nc(C)cs1 ZINC000309170930 385448279 /nfs/dbraw/zinc/44/82/79/385448279.db2.gz LHVZZCVBLUEGNZ-NSHDSACASA-N 0 3 224.373 3.292 20 0 BGADHN CC/C=C\CCN[C@H](C)c1ccccn1 ZINC000309173676 384341204 /nfs/dbraw/zinc/34/12/04/384341204.db2.gz LZNHMQOQTDEECS-QMAVJUDZSA-N 0 3 204.317 3.089 20 0 BGADHN CC/C=C\CCN[C@@H](C)c1ccccn1 ZINC000309173677 384342539 /nfs/dbraw/zinc/34/25/39/384342539.db2.gz LZNHMQOQTDEECS-RXNFCKPNSA-N 0 3 204.317 3.089 20 0 BGADHN CCC[C@](C)(CO)NCc1cscc1Cl ZINC000309175373 491145833 /nfs/dbraw/zinc/14/58/33/491145833.db2.gz MOLOJSUDQSSVBJ-LLVKDONJSA-N 0 3 247.791 3.042 20 0 BGADHN CCC[C@@](C)(CO)NCc1cscc1Cl ZINC000309175374 491145825 /nfs/dbraw/zinc/14/58/25/491145825.db2.gz MOLOJSUDQSSVBJ-NSHDSACASA-N 0 3 247.791 3.042 20 0 BGADHN CCC1CC(Nc2cc(C)cc(C)n2)C1 ZINC000309176169 385451208 /nfs/dbraw/zinc/45/12/08/385451208.db2.gz MSPOXKUBUBGAQX-UHFFFAOYSA-N 0 3 204.317 3.299 20 0 BGADHN CC[C@@H](CN[C@H](C)CF)c1ccccc1 ZINC000309181895 385204781 /nfs/dbraw/zinc/20/47/81/385204781.db2.gz NXZVXBYKIFWTPO-NEPJUHHUSA-N 0 3 209.308 3.128 20 0 BGADHN CC[C@H](CN[C@H](C)CF)c1ccccc1 ZINC000309181896 385204882 /nfs/dbraw/zinc/20/48/82/385204882.db2.gz NXZVXBYKIFWTPO-VXGBXAGGSA-N 0 3 209.308 3.128 20 0 BGADHN CCC[C@@H](NC1CCC1)c1ccccn1 ZINC000309194617 169399711 /nfs/dbraw/zinc/39/97/11/169399711.db2.gz QGNOIYAGRQDUOA-CYBMUJFWSA-N 0 3 204.317 3.065 20 0 BGADHN CCC[C@H](NC1CCC1)c1ccccn1 ZINC000309194618 385459135 /nfs/dbraw/zinc/45/91/35/385459135.db2.gz QGNOIYAGRQDUOA-ZDUSSCGKSA-N 0 3 204.317 3.065 20 0 BGADHN Cc1ccc(CN[C@@H]2CC23CCCC3)o1 ZINC000309197741 385461393 /nfs/dbraw/zinc/46/13/93/385461393.db2.gz QUBOXIJPDGJHQI-GFCCVEGCSA-N 0 3 205.301 3.010 20 0 BGADHN Cc1ccc(CN[C@H]2CC23CCCC3)o1 ZINC000309197742 384441432 /nfs/dbraw/zinc/44/14/32/384441432.db2.gz QUBOXIJPDGJHQI-LBPRGKRZSA-N 0 3 205.301 3.010 20 0 BGADHN CCCC[C@@H](CCC)NCc1cc(C)no1 ZINC000309205134 566339259 /nfs/dbraw/zinc/33/92/59/566339259.db2.gz AYFZNVYFOAGQBU-GFCCVEGCSA-N 0 3 224.348 3.432 20 0 BGADHN CCCC[C@H](CCC)NCc1cc(C)no1 ZINC000309205137 491146273 /nfs/dbraw/zinc/14/62/73/491146273.db2.gz AYFZNVYFOAGQBU-LBPRGKRZSA-N 0 3 224.348 3.432 20 0 BGADHN CCSCCNCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000309208057 323328194 /nfs/dbraw/zinc/32/81/94/323328194.db2.gz MYOWYPMZPXQHNU-CMPLNLGQSA-N 0 3 239.384 3.246 20 0 BGADHN CCSCCNCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000309208059 323328479 /nfs/dbraw/zinc/32/84/79/323328479.db2.gz MYOWYPMZPXQHNU-JQWIXIFHSA-N 0 3 239.384 3.246 20 0 BGADHN CCSCCNCc1ccc([C@H]2C[C@H]2C)o1 ZINC000309208062 323328204 /nfs/dbraw/zinc/32/82/04/323328204.db2.gz MYOWYPMZPXQHNU-PWSUYJOCSA-N 0 3 239.384 3.246 20 0 BGADHN CCSCCNCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000309208065 323328737 /nfs/dbraw/zinc/32/87/37/323328737.db2.gz MYOWYPMZPXQHNU-ZYHUDNBSSA-N 0 3 239.384 3.246 20 0 BGADHN Cc1cc(CNCc2cccc(F)c2)cs1 ZINC000309214087 178027091 /nfs/dbraw/zinc/02/70/91/178027091.db2.gz OSEUQUSMJLGACZ-UHFFFAOYSA-N 0 3 235.327 3.485 20 0 BGADHN CC[C@@H]1CC[C@@H]1N[C@@H](C)c1ncc(C)s1 ZINC000309220070 171043461 /nfs/dbraw/zinc/04/34/61/171043461.db2.gz VARGQFFMKZDLDO-AXFHLTTASA-N 0 3 224.373 3.291 20 0 BGADHN CC[C@@H]1CC[C@H]1N[C@H](C)c1ncc(C)s1 ZINC000309220074 171060221 /nfs/dbraw/zinc/06/02/21/171060221.db2.gz VARGQFFMKZDLDO-GMTAPVOTSA-N 0 3 224.373 3.291 20 0 BGADHN CC[C@@H]1CC[C@H]1N[C@@H](C)c1ncc(C)s1 ZINC000309220077 171060944 /nfs/dbraw/zinc/06/09/44/171060944.db2.gz VARGQFFMKZDLDO-HBNTYKKESA-N 0 3 224.373 3.291 20 0 BGADHN CC[C@@H]1CC[C@@H]1N[C@H](C)c1ncc(C)s1 ZINC000309220081 171045042 /nfs/dbraw/zinc/04/50/42/171045042.db2.gz VARGQFFMKZDLDO-MXWKQRLJSA-N 0 3 224.373 3.291 20 0 BGADHN CCCC[C@@H](CCC)NCc1ccon1 ZINC000309221087 491146341 /nfs/dbraw/zinc/14/63/41/491146341.db2.gz VFONWCYXLUVJMD-LLVKDONJSA-N 0 3 210.321 3.123 20 0 BGADHN CCCC[C@H](CCC)NCc1ccon1 ZINC000309221092 491146290 /nfs/dbraw/zinc/14/62/90/491146290.db2.gz VFONWCYXLUVJMD-NSHDSACASA-N 0 3 210.321 3.123 20 0 BGADHN CC[C@@H](NCCCCF)c1ccc(F)cn1 ZINC000309221751 385487727 /nfs/dbraw/zinc/48/77/27/385487727.db2.gz GVLKOTOWDCHITO-LLVKDONJSA-N 0 3 228.286 3.011 20 0 BGADHN CC[C@H](NCCCCF)c1ccc(F)cn1 ZINC000309221753 385488365 /nfs/dbraw/zinc/48/83/65/385488365.db2.gz GVLKOTOWDCHITO-NSHDSACASA-N 0 3 228.286 3.011 20 0 BGADHN Cc1cc(CNC(C)(C)CF)ccc1Cl ZINC000309223475 385269530 /nfs/dbraw/zinc/26/95/30/385269530.db2.gz VQFGDFYKLVHVON-UHFFFAOYSA-N 0 3 229.726 3.486 20 0 BGADHN CCC(CC)(CNCc1ccc(Cl)o1)OC ZINC000309224229 385487957 /nfs/dbraw/zinc/48/79/57/385487957.db2.gz HGOXDLAETXZGBQ-UHFFFAOYSA-N 0 3 245.750 3.228 20 0 BGADHN COc1cccc(Cl)c1CN[C@@H]1CC[C@H]1C ZINC000309231692 175273032 /nfs/dbraw/zinc/27/30/32/175273032.db2.gz UAUNSWSOJSIMSN-BXKDBHETSA-N 0 3 239.746 3.237 20 0 BGADHN COc1cccc(Cl)c1CN[C@H]1CC[C@@H]1C ZINC000309231694 175273654 /nfs/dbraw/zinc/27/36/54/175273654.db2.gz UAUNSWSOJSIMSN-CABZTGNLSA-N 0 3 239.746 3.237 20 0 BGADHN COc1cccc(Cl)c1CN[C@@H]1CC[C@@H]1C ZINC000309231696 175272940 /nfs/dbraw/zinc/27/29/40/175272940.db2.gz UAUNSWSOJSIMSN-JOYOIKCWSA-N 0 3 239.746 3.237 20 0 BGADHN COc1cccc(Cl)c1CN[C@H]1CC[C@H]1C ZINC000309231698 175273882 /nfs/dbraw/zinc/27/38/82/175273882.db2.gz UAUNSWSOJSIMSN-SKDRFNHKSA-N 0 3 239.746 3.237 20 0 BGADHN CCCCCNCc1nc(CCC)cs1 ZINC000309232133 385492491 /nfs/dbraw/zinc/49/24/91/385492491.db2.gz WXFSTFXJLDVWGG-UHFFFAOYSA-N 0 3 226.389 3.375 20 0 BGADHN Cc1ccc(CNCC2CC(C)(C)C2)o1 ZINC000309234256 323333586 /nfs/dbraw/zinc/33/35/86/323333586.db2.gz XIKKIFZJZLTEGO-UHFFFAOYSA-N 0 3 207.317 3.114 20 0 BGADHN CCCCCNCc1cc(F)ccc1OC ZINC000309236609 385276445 /nfs/dbraw/zinc/27/64/45/385276445.db2.gz JQPQCMBSESUNFI-UHFFFAOYSA-N 0 3 225.307 3.114 20 0 BGADHN CC[C@@H](NC1CSC1)c1cccc(Cl)c1 ZINC000309236952 491146526 /nfs/dbraw/zinc/14/65/26/491146526.db2.gz XRTKBMSAHPHNLR-GFCCVEGCSA-N 0 3 241.787 3.496 20 0 BGADHN CC[C@H](NC1CSC1)c1cccc(Cl)c1 ZINC000309236954 491146574 /nfs/dbraw/zinc/14/65/74/491146574.db2.gz XRTKBMSAHPHNLR-LBPRGKRZSA-N 0 3 241.787 3.496 20 0 BGADHN Cc1ccc(F)cc1CNCCSC(C)C ZINC000309238966 385493487 /nfs/dbraw/zinc/49/34/87/385493487.db2.gz WBLOCAWVMVPQSB-UHFFFAOYSA-N 0 3 241.375 3.365 20 0 BGADHN CCC1CC(NCc2ccccc2F)C1 ZINC000309240481 385495773 /nfs/dbraw/zinc/49/57/73/385495773.db2.gz YHMNLKLXMPNAHU-UHFFFAOYSA-N 0 3 207.292 3.104 20 0 BGADHN Cc1cc(CN[C@@H]2CSC2(C)C)c(C)s1 ZINC000309243144 323334751 /nfs/dbraw/zinc/33/47/51/323334751.db2.gz YPSCWSNYJLFLSD-LLVKDONJSA-N 0 3 241.425 3.349 20 0 BGADHN Cc1cc(CN[C@H]2CSC2(C)C)c(C)s1 ZINC000309243145 323334467 /nfs/dbraw/zinc/33/44/67/323334467.db2.gz YPSCWSNYJLFLSD-NSHDSACASA-N 0 3 241.425 3.349 20 0 BGADHN CC[C@H](F)CN[C@@H](C)c1cccc(C)c1 ZINC000309244729 259311879 /nfs/dbraw/zinc/31/18/79/259311879.db2.gz YYQHZPRGHLKDGS-AAEUAGOBSA-N 0 3 209.308 3.394 20 0 BGADHN CC[C@@H](F)CN[C@@H](C)c1cccc(C)c1 ZINC000309244730 259311849 /nfs/dbraw/zinc/31/18/49/259311849.db2.gz YYQHZPRGHLKDGS-WCQYABFASA-N 0 3 209.308 3.394 20 0 BGADHN CC[C@@H](O)CN[C@@H](CC)c1ccc(Cl)s1 ZINC000309246187 487707826 /nfs/dbraw/zinc/70/78/26/487707826.db2.gz ZFMLSMLTORSEGZ-BDAKNGLRSA-N 0 3 247.791 3.213 20 0 BGADHN CC[C@@H](NC[C@@H](O)CC)c1ccc(Cl)s1 ZINC000309246188 487708142 /nfs/dbraw/zinc/70/81/42/487708142.db2.gz ZFMLSMLTORSEGZ-DTWKUNHWSA-N 0 3 247.791 3.213 20 0 BGADHN CC[C@H](O)CN[C@@H](CC)c1ccc(Cl)s1 ZINC000309246189 487707982 /nfs/dbraw/zinc/70/79/82/487707982.db2.gz ZFMLSMLTORSEGZ-IUCAKERBSA-N 0 3 247.791 3.213 20 0 BGADHN CC[C@@H](O)CN[C@H](CC)c1ccc(Cl)s1 ZINC000309246190 347004092 /nfs/dbraw/zinc/00/40/92/347004092.db2.gz ZFMLSMLTORSEGZ-RKDXNWHRSA-N 0 3 247.791 3.213 20 0 BGADHN CC/C=C\CCN[C@@H](C)c1nc(C)cs1 ZINC000309248372 259311851 /nfs/dbraw/zinc/31/18/51/259311851.db2.gz ZQQHEYFMOJBSTC-GZTOBOFZSA-N 0 3 224.373 3.458 20 0 BGADHN CC/C=C\CCN[C@H](C)c1nc(C)cs1 ZINC000309248376 259311861 /nfs/dbraw/zinc/31/18/61/259311861.db2.gz ZQQHEYFMOJBSTC-ISALQUGTSA-N 0 3 224.373 3.458 20 0 BGADHN CC[C@H](NCC1(C)CC1)c1nc(C)cs1 ZINC000309248931 323330627 /nfs/dbraw/zinc/33/06/27/323330627.db2.gz ZSRGICFNAOSULH-JTQLQIEISA-N 0 3 224.373 3.292 20 0 BGADHN CC[C@@H](NCC1(C)CC1)c1nc(C)cs1 ZINC000309248934 323330893 /nfs/dbraw/zinc/33/08/93/323330893.db2.gz ZSRGICFNAOSULH-SNVBAGLBSA-N 0 3 224.373 3.292 20 0 BGADHN CC(C)(C)c1csc(CNCCCCF)n1 ZINC000309257232 632846713 /nfs/dbraw/zinc/84/67/13/632846713.db2.gz ONQXCEAOFJYFHD-UHFFFAOYSA-N 0 3 244.379 3.280 20 0 BGADHN CC(C)(C)c1ncc(CNCCCCF)s1 ZINC000309258664 188167585 /nfs/dbraw/zinc/16/75/85/188167585.db2.gz OTEDQSLAIAQXDZ-UHFFFAOYSA-N 0 3 244.379 3.280 20 0 BGADHN Cc1cc(CNCCOCCC(C)C)cs1 ZINC000309260519 178021302 /nfs/dbraw/zinc/02/13/02/178021302.db2.gz DEDUAIDPKPEKQI-UHFFFAOYSA-N 0 3 241.400 3.209 20 0 BGADHN CC1(C)CC[C@H]1NCc1cccc(F)c1F ZINC000309267612 323336978 /nfs/dbraw/zinc/33/69/78/323336978.db2.gz FLNHALJBWFNGMI-LLVKDONJSA-N 0 3 225.282 3.243 20 0 BGADHN CC1(C)CC[C@@H]1NCc1cccc(F)c1F ZINC000309267613 323337582 /nfs/dbraw/zinc/33/75/82/323337582.db2.gz FLNHALJBWFNGMI-NSHDSACASA-N 0 3 225.282 3.243 20 0 BGADHN Cc1cc(CNCc2ccc(F)cc2)cs1 ZINC000309269837 178027068 /nfs/dbraw/zinc/02/70/68/178027068.db2.gz FYMDOXVCZBTERE-UHFFFAOYSA-N 0 3 235.327 3.485 20 0 BGADHN CC1(C)CC[C@H]1NCc1ccc(F)cc1F ZINC000309290142 188343995 /nfs/dbraw/zinc/34/39/95/188343995.db2.gz JOEYUUJSTWHSCC-GFCCVEGCSA-N 0 3 225.282 3.243 20 0 BGADHN CC1(C)CC[C@@H]1NCc1ccc(F)cc1F ZINC000309290144 347020340 /nfs/dbraw/zinc/02/03/40/347020340.db2.gz JOEYUUJSTWHSCC-LBPRGKRZSA-N 0 3 225.282 3.243 20 0 BGADHN CC(C)(C)c1nc(CNCCCCF)cs1 ZINC000309290518 187820555 /nfs/dbraw/zinc/82/05/55/187820555.db2.gz VPRPMKCOFTWZAZ-UHFFFAOYSA-N 0 3 244.379 3.280 20 0 BGADHN FCCCCNc1ccnc2ccccc21 ZINC000309301772 385525242 /nfs/dbraw/zinc/52/52/42/385525242.db2.gz YQXPHRZBQZKDSN-UHFFFAOYSA-N 0 3 218.275 3.396 20 0 BGADHN Fc1cc(F)cc(CN2CCCCCC2)c1 ZINC000309303755 385525042 /nfs/dbraw/zinc/52/50/42/385525042.db2.gz MRVXDIBKQRLVHX-UHFFFAOYSA-N 0 3 225.282 3.341 20 0 BGADHN Cc1nnc([C@@H](C)NC[C@H](C)CC(C)C)s1 ZINC000309303933 384936775 /nfs/dbraw/zinc/93/67/75/384936775.db2.gz AGTDGFYEVNXMDQ-NXEZZACHSA-N 0 3 241.404 3.179 20 0 BGADHN Cc1nnc([C@H](C)NC[C@@H](C)CC(C)C)s1 ZINC000309303935 384936724 /nfs/dbraw/zinc/93/67/24/384936724.db2.gz AGTDGFYEVNXMDQ-UWVGGRQHSA-N 0 3 241.404 3.179 20 0 BGADHN Cc1nnc([C@@H](C)NC[C@@H](C)CC(C)C)s1 ZINC000309303937 385527015 /nfs/dbraw/zinc/52/70/15/385527015.db2.gz AGTDGFYEVNXMDQ-VHSXEESVSA-N 0 3 241.404 3.179 20 0 BGADHN Cc1nnc([C@H](C)NC[C@H](C)CC(C)C)s1 ZINC000309303940 180445795 /nfs/dbraw/zinc/44/57/95/180445795.db2.gz AGTDGFYEVNXMDQ-ZJUUUORDSA-N 0 3 241.404 3.179 20 0 BGADHN C[C@@H](NCCCCF)c1cc(F)ccc1F ZINC000309304207 385527424 /nfs/dbraw/zinc/52/74/24/385527424.db2.gz ZFSKPURNRNWEHW-SECBINFHSA-N 0 3 231.261 3.365 20 0 BGADHN C[C@H](NCCCCF)c1cc(F)ccc1F ZINC000309304208 384935373 /nfs/dbraw/zinc/93/53/73/384935373.db2.gz ZFSKPURNRNWEHW-VIFPVBQESA-N 0 3 231.261 3.365 20 0 BGADHN CC1(C)CC[C@H]1NCc1cc(F)ccc1F ZINC000309308482 385525854 /nfs/dbraw/zinc/52/58/54/385525854.db2.gz NRHGHWKJEDYWSS-GFCCVEGCSA-N 0 3 225.282 3.243 20 0 BGADHN CC1(C)CC[C@@H]1NCc1cc(F)ccc1F ZINC000309308483 347029817 /nfs/dbraw/zinc/02/98/17/347029817.db2.gz NRHGHWKJEDYWSS-LBPRGKRZSA-N 0 3 225.282 3.243 20 0 BGADHN CC(C)CCCNCc1cc(C(C)C)no1 ZINC000309318666 491053991 /nfs/dbraw/zinc/05/39/91/491053991.db2.gz DQWOPVFIWNCFAJ-UHFFFAOYSA-N 0 3 224.348 3.324 20 0 BGADHN Cc1cc([C@@H](C)N[C@@H](C)CCC(C)C)no1 ZINC000309320750 178231470 /nfs/dbraw/zinc/23/14/70/178231470.db2.gz FDXOLDWQYLWZIK-CMPLNLGQSA-N 0 3 224.348 3.458 20 0 BGADHN Cc1cc([C@@H](C)N[C@H](C)CCC(C)C)no1 ZINC000309320751 178233330 /nfs/dbraw/zinc/23/33/30/178233330.db2.gz FDXOLDWQYLWZIK-ZYHUDNBSSA-N 0 3 224.348 3.458 20 0 BGADHN Cc1ccccc1CNC[C@H](C)C(F)(F)F ZINC000309320765 383869197 /nfs/dbraw/zinc/86/91/97/383869197.db2.gz FEHJARAQVLESSN-JTQLQIEISA-N 0 3 231.261 3.283 20 0 BGADHN Cc1ccccc1CNC[C@@H](C)C(F)(F)F ZINC000309320766 383869522 /nfs/dbraw/zinc/86/95/22/383869522.db2.gz FEHJARAQVLESSN-SNVBAGLBSA-N 0 3 231.261 3.283 20 0 BGADHN CC(C)=CCCNCc1ccc(F)cc1F ZINC000309323162 323343183 /nfs/dbraw/zinc/34/31/83/323343183.db2.gz FQHSKVDWKWFJID-UHFFFAOYSA-N 0 3 225.282 3.411 20 0 BGADHN CC(C)=CCCNCc1scnc1C1CC1 ZINC000309334988 491147968 /nfs/dbraw/zinc/14/79/68/491147968.db2.gz IUDSMVSUSXANPW-UHFFFAOYSA-N 0 3 236.384 3.466 20 0 BGADHN CC(C)(NCCOC1CCC1)c1cccs1 ZINC000309337427 385538965 /nfs/dbraw/zinc/53/89/65/385538965.db2.gz AWYRRCKJFAFSLZ-UHFFFAOYSA-N 0 3 239.384 3.142 20 0 BGADHN CC(C)c1ncc(CN[C@@H]2CC[C@@H](F)C2)s1 ZINC000309338651 188167797 /nfs/dbraw/zinc/16/77/97/188167797.db2.gz JPFFEDCBDPYMTQ-NXEZZACHSA-N 0 3 242.363 3.247 20 0 BGADHN CC(C)c1ncc(CN[C@H]2CC[C@H](F)C2)s1 ZINC000309338652 385538812 /nfs/dbraw/zinc/53/88/12/385538812.db2.gz JPFFEDCBDPYMTQ-UWVGGRQHSA-N 0 3 242.363 3.247 20 0 BGADHN CC(C)c1ncc(CN[C@@H]2CC[C@H](F)C2)s1 ZINC000309338653 385539271 /nfs/dbraw/zinc/53/92/71/385539271.db2.gz JPFFEDCBDPYMTQ-VHSXEESVSA-N 0 3 242.363 3.247 20 0 BGADHN CC(C)c1ncc(CN[C@H]2CC[C@@H](F)C2)s1 ZINC000309338654 385065531 /nfs/dbraw/zinc/06/55/31/385065531.db2.gz JPFFEDCBDPYMTQ-ZJUUUORDSA-N 0 3 242.363 3.247 20 0 BGADHN CC(C)OC[C@@H](C)N[C@H](C)c1ccccc1 ZINC000309339329 167258405 /nfs/dbraw/zinc/25/84/05/167258405.db2.gz JVXZPKTZFHKHNW-CHWSQXEVSA-N 0 3 221.344 3.151 20 0 BGADHN CC(C)OC[C@@H](C)N[C@@H](C)c1ccccc1 ZINC000309339330 167257857 /nfs/dbraw/zinc/25/78/57/167257857.db2.gz JVXZPKTZFHKHNW-OLZOCXBDSA-N 0 3 221.344 3.151 20 0 BGADHN CC(C)OC[C@H](C)N[C@H](C)c1ccccc1 ZINC000309339331 167268567 /nfs/dbraw/zinc/26/85/67/167268567.db2.gz JVXZPKTZFHKHNW-QWHCGFSZSA-N 0 3 221.344 3.151 20 0 BGADHN CC(C)OC[C@H](C)N[C@@H](C)c1ccccc1 ZINC000309339332 167265012 /nfs/dbraw/zinc/26/50/12/167265012.db2.gz JVXZPKTZFHKHNW-STQMWFEESA-N 0 3 221.344 3.151 20 0 BGADHN c1nc(C2CC2)sc1CNC1(C2CC2)CC1 ZINC000309339410 323343975 /nfs/dbraw/zinc/34/39/75/323343975.db2.gz KRJKWZKLQLRKKZ-UHFFFAOYSA-N 0 3 234.368 3.053 20 0 BGADHN C[C@H](N[C@H]1CC[C@@H]1C)c1c(F)cccc1F ZINC000309342346 632006414 /nfs/dbraw/zinc/00/64/14/632006414.db2.gz VQQZFHZPHFOASG-AUTRQRHGSA-N 0 3 225.282 3.414 20 0 BGADHN C[C@H](N[C@@H]1CC[C@@H]1C)c1c(F)cccc1F ZINC000309342348 632006876 /nfs/dbraw/zinc/00/68/76/632006876.db2.gz VQQZFHZPHFOASG-HOTUBEGUSA-N 0 3 225.282 3.414 20 0 BGADHN C[C@H](N[C@H]1CC[C@H]1C)c1c(F)cccc1F ZINC000309342350 711675191 /nfs/dbraw/zinc/67/51/91/711675191.db2.gz VQQZFHZPHFOASG-PTRXPTGYSA-N 0 3 225.282 3.414 20 0 BGADHN C[C@H](N[C@@H]1CC[C@H]1C)c1c(F)cccc1F ZINC000309342352 711675109 /nfs/dbraw/zinc/67/51/09/711675109.db2.gz VQQZFHZPHFOASG-VDDIYKPWSA-N 0 3 225.282 3.414 20 0 BGADHN CC[C@@H](CN[C@@H](C)c1ccc(Cl)cc1)OC ZINC000309346804 383897377 /nfs/dbraw/zinc/89/73/77/383897377.db2.gz MILOTJBJUCTQIF-GWCFXTLKSA-N 0 3 241.762 3.416 20 0 BGADHN CC[C@H](CN[C@@H](C)c1ccc(Cl)cc1)OC ZINC000309346805 383892694 /nfs/dbraw/zinc/89/26/94/383892694.db2.gz MILOTJBJUCTQIF-GXFFZTMASA-N 0 3 241.762 3.416 20 0 BGADHN CC[C@@H](CN[C@H](C)c1ccc(Cl)cc1)OC ZINC000309346806 383892888 /nfs/dbraw/zinc/89/28/88/383892888.db2.gz MILOTJBJUCTQIF-MFKMUULPSA-N 0 3 241.762 3.416 20 0 BGADHN CC[C@H](CN[C@H](C)c1ccc(Cl)cc1)OC ZINC000309346807 383894507 /nfs/dbraw/zinc/89/45/07/383894507.db2.gz MILOTJBJUCTQIF-ZWNOBZJWSA-N 0 3 241.762 3.416 20 0 BGADHN CC(C)Cc1ncc(CN[C@@H]2CC[C@@H]2C)s1 ZINC000309347735 188344557 /nfs/dbraw/zinc/34/45/57/188344557.db2.gz MDTPDNTZHYAFDP-CMPLNLGQSA-N 0 3 238.400 3.230 20 0 BGADHN CC(C)Cc1ncc(CN[C@H]2CC[C@@H]2C)s1 ZINC000309347736 187481978 /nfs/dbraw/zinc/48/19/78/187481978.db2.gz MDTPDNTZHYAFDP-JQWIXIFHSA-N 0 3 238.400 3.230 20 0 BGADHN CC(C)Cc1ncc(CN[C@H]2CC[C@H]2C)s1 ZINC000309347737 385545967 /nfs/dbraw/zinc/54/59/67/385545967.db2.gz MDTPDNTZHYAFDP-PWSUYJOCSA-N 0 3 238.400 3.230 20 0 BGADHN CC(C)Cc1ncc(CN[C@@H]2CC[C@H]2C)s1 ZINC000309347738 188167662 /nfs/dbraw/zinc/16/76/62/188167662.db2.gz MDTPDNTZHYAFDP-ZYHUDNBSSA-N 0 3 238.400 3.230 20 0 BGADHN CC(C)(CF)NCc1cccc2cc[nH]c21 ZINC000309349096 385542947 /nfs/dbraw/zinc/54/29/47/385542947.db2.gz MKMDIYZEUUWARE-UHFFFAOYSA-N 0 3 220.291 3.006 20 0 BGADHN Cc1sccc1CNCc1ccc(O)cc1 ZINC000309351029 385544213 /nfs/dbraw/zinc/54/42/13/385544213.db2.gz BTOFNUPIGLXKIO-UHFFFAOYSA-N 0 3 233.336 3.052 20 0 BGADHN Cc1cc([C@@H](C)NC[C@H](C)C(C)(C)C)no1 ZINC000309351286 632962010 /nfs/dbraw/zinc/96/20/10/632962010.db2.gz MUGIQESJNJUAIW-GXSJLCMTSA-N 0 3 224.348 3.316 20 0 BGADHN Cc1cc([C@@H](C)NC[C@@H](C)C(C)(C)C)no1 ZINC000309351287 633900233 /nfs/dbraw/zinc/90/02/33/633900233.db2.gz MUGIQESJNJUAIW-MWLCHTKSSA-N 0 3 224.348 3.316 20 0 BGADHN C[C@@H]1C[C@@H](NCc2ccc(F)cc2F)[C@@H]1C ZINC000309351799 176378395 /nfs/dbraw/zinc/37/83/95/176378395.db2.gz NFDUEMOGBJQVCE-JRKPZEMJSA-N 0 3 225.282 3.099 20 0 BGADHN C[C@@H]1C[C@H](NCc2ccc(F)cc2F)[C@@H]1C ZINC000309351800 385544093 /nfs/dbraw/zinc/54/40/93/385544093.db2.gz NFDUEMOGBJQVCE-KKFJDGPESA-N 0 3 225.282 3.099 20 0 BGADHN C[C@@H]1C[C@@H](NCc2ccc(F)cc2F)[C@H]1C ZINC000309351801 385544769 /nfs/dbraw/zinc/54/47/69/385544769.db2.gz NFDUEMOGBJQVCE-VYUIOLGVSA-N 0 3 225.282 3.099 20 0 BGADHN C[C@@H]1C[C@H](NCc2ccc(F)cc2F)[C@H]1C ZINC000309351803 385544731 /nfs/dbraw/zinc/54/47/31/385544731.db2.gz NFDUEMOGBJQVCE-ZDMBXUJBSA-N 0 3 225.282 3.099 20 0 BGADHN CC(C)c1cnc(CNC[C@@H]2CC2(C)C)s1 ZINC000309353916 188344990 /nfs/dbraw/zinc/34/49/90/188344990.db2.gz NKIPZXCKTDIASP-JTQLQIEISA-N 0 3 238.400 3.402 20 0 BGADHN CC(C)c1cnc(CNC[C@H]2CC2(C)C)s1 ZINC000309353917 187308489 /nfs/dbraw/zinc/30/84/89/187308489.db2.gz NKIPZXCKTDIASP-SNVBAGLBSA-N 0 3 238.400 3.402 20 0 BGADHN CC(C)=CCNCc1ccc2occc2c1 ZINC000309357727 187308744 /nfs/dbraw/zinc/30/87/44/187308744.db2.gz ODKFWVUJJDTZIJ-UHFFFAOYSA-N 0 3 215.296 3.489 20 0 BGADHN CC(C)OC1CC(N[C@@H](C)c2ccsc2)C1 ZINC000309358726 491147472 /nfs/dbraw/zinc/14/74/72/491147472.db2.gz OJDOIQKZYOATLP-PKSQDBQZSA-N 0 3 239.384 3.355 20 0 BGADHN CC(C)OC1CC(N[C@H](C)c2ccsc2)C1 ZINC000309358727 491147439 /nfs/dbraw/zinc/14/74/39/491147439.db2.gz OJDOIQKZYOATLP-QFWMXSHPSA-N 0 3 239.384 3.355 20 0 BGADHN CC1(C)C(NCc2cccnc2Cl)C1(C)C ZINC000309359038 632970216 /nfs/dbraw/zinc/97/02/16/632970216.db2.gz AFAJZFAXJXHCLG-UHFFFAOYSA-N 0 3 238.762 3.259 20 0 BGADHN CC(C)(CF)NCc1cccc2[nH]ccc21 ZINC000309359600 188344871 /nfs/dbraw/zinc/34/48/71/188344871.db2.gz OMEJKJAWHXCIRP-UHFFFAOYSA-N 0 3 220.291 3.006 20 0 BGADHN C[C@H](NCCCc1nccs1)c1ccoc1 ZINC000309362980 350356194 /nfs/dbraw/zinc/35/61/94/350356194.db2.gz ATBJFADRLQCPQC-JTQLQIEISA-N 0 3 236.340 3.020 20 0 BGADHN C[C@@H](NCCCc1nccs1)c1ccoc1 ZINC000309362981 350356525 /nfs/dbraw/zinc/35/65/25/350356525.db2.gz ATBJFADRLQCPQC-SNVBAGLBSA-N 0 3 236.340 3.020 20 0 BGADHN Cc1nc(CN[C@H]2CC[C@@H]2C(C)C)sc1C ZINC000309366362 491147554 /nfs/dbraw/zinc/14/75/54/491147554.db2.gz POPKXPFYCRUGEA-NEPJUHHUSA-N 0 3 238.400 3.284 20 0 BGADHN Cc1nc(CN[C@@H]2CC[C@H]2C(C)C)sc1C ZINC000309366367 491147566 /nfs/dbraw/zinc/14/75/66/491147566.db2.gz POPKXPFYCRUGEA-NWDGAFQWSA-N 0 3 238.400 3.284 20 0 BGADHN Cc1nc(CN[C@H]2CC[C@H]2C(C)C)sc1C ZINC000309366372 491096251 /nfs/dbraw/zinc/09/62/51/491096251.db2.gz POPKXPFYCRUGEA-RYUDHWBXSA-N 0 3 238.400 3.284 20 0 BGADHN Cc1nc(CN[C@@H]2CC[C@@H]2C(C)C)sc1C ZINC000309366376 491147537 /nfs/dbraw/zinc/14/75/37/491147537.db2.gz POPKXPFYCRUGEA-VXGBXAGGSA-N 0 3 238.400 3.284 20 0 BGADHN CC(C)(C)CC[C@H](CO)NCc1ccsc1 ZINC000309366550 385551520 /nfs/dbraw/zinc/55/15/20/385551520.db2.gz PQCIVHJOANXRFV-GFCCVEGCSA-N 0 3 241.400 3.025 20 0 BGADHN CC(C)(C)CC[C@@H](CO)NCc1ccsc1 ZINC000309366556 166573897 /nfs/dbraw/zinc/57/38/97/166573897.db2.gz PQCIVHJOANXRFV-LBPRGKRZSA-N 0 3 241.400 3.025 20 0 BGADHN CC1(C)CC(CNCc2ccccc2F)C1 ZINC000309367890 323345931 /nfs/dbraw/zinc/34/59/31/323345931.db2.gz BLWXUWCHJWOKDQ-UHFFFAOYSA-N 0 3 221.319 3.352 20 0 BGADHN CC[C@H](CNCc1ccc(Cl)cc1C)OC ZINC000309369177 385280196 /nfs/dbraw/zinc/28/01/96/385280196.db2.gz PVTROIYRHYTIMN-CYBMUJFWSA-N 0 3 241.762 3.163 20 0 BGADHN CC[C@@H](CNCc1ccc(Cl)cc1C)OC ZINC000309369180 170829564 /nfs/dbraw/zinc/82/95/64/170829564.db2.gz PVTROIYRHYTIMN-ZDUSSCGKSA-N 0 3 241.762 3.163 20 0 BGADHN C[C@H](NCCCCCF)c1ccncc1F ZINC000309370514 385554208 /nfs/dbraw/zinc/55/42/08/385554208.db2.gz BYPRHTPEDCYBNF-JTQLQIEISA-N 0 3 228.286 3.011 20 0 BGADHN C[C@@H](NCCCCCF)c1ccncc1F ZINC000309370515 385554316 /nfs/dbraw/zinc/55/43/16/385554316.db2.gz BYPRHTPEDCYBNF-SNVBAGLBSA-N 0 3 228.286 3.011 20 0 BGADHN CC(C)C(C)(C)NCc1ccc(F)cc1F ZINC000309371329 350355115 /nfs/dbraw/zinc/35/51/15/350355115.db2.gz QMDGJXGLKROOAC-UHFFFAOYSA-N 0 3 227.298 3.489 20 0 BGADHN C[C@@H](NC1CC(C(F)(F)F)C1)c1ccco1 ZINC000309375682 385555737 /nfs/dbraw/zinc/55/57/37/385555737.db2.gz COQAJKAZBLOXGF-AFPNSQJFSA-N 0 3 233.233 3.271 20 0 BGADHN C[C@H](NC1CC(C(F)(F)F)C1)c1ccco1 ZINC000309375684 385555566 /nfs/dbraw/zinc/55/55/66/385555566.db2.gz COQAJKAZBLOXGF-UEJVZZJDSA-N 0 3 233.233 3.271 20 0 BGADHN CC1(C)CC(NCc2ccc(F)cc2F)C1 ZINC000309376444 385555609 /nfs/dbraw/zinc/55/56/09/385555609.db2.gz CQOKMYLXVJGXGN-UHFFFAOYSA-N 0 3 225.282 3.243 20 0 BGADHN CC1(C)CC(NCc2nc(C3CC3)cs2)C1 ZINC000309378167 383864794 /nfs/dbraw/zinc/86/47/94/383864794.db2.gz CYKCXCYBNVHRRZ-UHFFFAOYSA-N 0 3 236.384 3.299 20 0 BGADHN CC1(C)CC[C@H]1NCc1c(F)cccc1F ZINC000309378600 187273737 /nfs/dbraw/zinc/27/37/37/187273737.db2.gz CQOKBKPTYHFXGJ-GFCCVEGCSA-N 0 3 225.282 3.243 20 0 BGADHN CC1(C)CC[C@@H]1NCc1c(F)cccc1F ZINC000309378601 347044561 /nfs/dbraw/zinc/04/45/61/347044561.db2.gz CQOKBKPTYHFXGJ-LBPRGKRZSA-N 0 3 225.282 3.243 20 0 BGADHN C[C@@H](NC1CCC(F)(F)CC1)c1cscn1 ZINC000309379033 385558216 /nfs/dbraw/zinc/55/82/16/385558216.db2.gz AAMDZFCKPSJXKV-MRVPVSSYSA-N 0 3 246.326 3.372 20 0 BGADHN C[C@H](NC1CCC(F)(F)CC1)c1cscn1 ZINC000309379036 385558149 /nfs/dbraw/zinc/55/81/49/385558149.db2.gz AAMDZFCKPSJXKV-QMMMGPOBSA-N 0 3 246.326 3.372 20 0 BGADHN Cc1cc([C@@H](C)N[C@@H]2CCC(C)(C)C2)no1 ZINC000309379094 178231229 /nfs/dbraw/zinc/23/12/29/178231229.db2.gz AAZMKGCCGBMZIB-GHMZBOCLSA-N 0 3 222.332 3.212 20 0 BGADHN Cc1cc([C@@H](C)N[C@H]2CCC(C)(C)C2)no1 ZINC000309379097 178232801 /nfs/dbraw/zinc/23/28/01/178232801.db2.gz AAZMKGCCGBMZIB-MNOVXSKESA-N 0 3 222.332 3.212 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2CCC(C)(C)C2)no1 ZINC000309379102 178258553 /nfs/dbraw/zinc/25/85/53/178258553.db2.gz AAZMKGCCGBMZIB-QWRGUYRKSA-N 0 3 222.332 3.212 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CCC(C)(C)C2)no1 ZINC000309379105 178253501 /nfs/dbraw/zinc/25/35/01/178253501.db2.gz AAZMKGCCGBMZIB-WDEREUQCSA-N 0 3 222.332 3.212 20 0 BGADHN C[C@H](N[C@H]1CC[C@@H](F)C1)c1ccc(Cl)cn1 ZINC000309381053 385557998 /nfs/dbraw/zinc/55/79/98/385557998.db2.gz DJHKTBGCYRZXPQ-GDPRMGEGSA-N 0 3 242.725 3.276 20 0 BGADHN C[C@H](N[C@@H]1CC[C@H](F)C1)c1ccc(Cl)cn1 ZINC000309381055 385557942 /nfs/dbraw/zinc/55/79/42/385557942.db2.gz DJHKTBGCYRZXPQ-INTQDDNPSA-N 0 3 242.725 3.276 20 0 BGADHN C[C@H](N[C@@H]1CC[C@@H](F)C1)c1ccc(Cl)cn1 ZINC000309381057 385557506 /nfs/dbraw/zinc/55/75/06/385557506.db2.gz DJHKTBGCYRZXPQ-JMJZKYOTSA-N 0 3 242.725 3.276 20 0 BGADHN C[C@H](N[C@H]1CC[C@H](F)C1)c1ccc(Cl)cn1 ZINC000309381059 385558100 /nfs/dbraw/zinc/55/81/00/385558100.db2.gz DJHKTBGCYRZXPQ-LSJOCFKGSA-N 0 3 242.725 3.276 20 0 BGADHN CC(C)c1cnc(CNC2(C3CC3)CC2)s1 ZINC000309384842 323364999 /nfs/dbraw/zinc/36/49/99/323364999.db2.gz SOICTRPOZUGIMY-UHFFFAOYSA-N 0 3 236.384 3.299 20 0 BGADHN CC(C)(C)c1cnc(CNC2CCCC2)s1 ZINC000309386378 526821947 /nfs/dbraw/zinc/82/19/47/526821947.db2.gz SSSLJZGRJSTDGZ-UHFFFAOYSA-N 0 3 238.400 3.473 20 0 BGADHN C[C@H](NCCC(C)(C)C)c1ccncc1F ZINC000309390020 385558600 /nfs/dbraw/zinc/55/86/00/385558600.db2.gz FQPROCZSLQBYIY-JTQLQIEISA-N 0 3 224.323 3.308 20 0 BGADHN C[C@@H](NCCC(C)(C)C)c1ccncc1F ZINC000309390024 385559188 /nfs/dbraw/zinc/55/91/88/385559188.db2.gz FQPROCZSLQBYIY-SNVBAGLBSA-N 0 3 224.323 3.308 20 0 BGADHN CC1(C)CC(NCc2cc(F)cc(F)c2)C1 ZINC000309391530 385559172 /nfs/dbraw/zinc/55/91/72/385559172.db2.gz FYRPXZYHCBPLGP-UHFFFAOYSA-N 0 3 225.282 3.243 20 0 BGADHN C[C@@H]1CCCC[C@H]1CCNCc1cscn1 ZINC000309392205 176083193 /nfs/dbraw/zinc/08/31/93/176083193.db2.gz FZRMEWFCYDJUNJ-NEPJUHHUSA-N 0 3 238.400 3.449 20 0 BGADHN C[C@H]1CCCC[C@@H]1CCNCc1cscn1 ZINC000309392207 177079812 /nfs/dbraw/zinc/07/98/12/177079812.db2.gz FZRMEWFCYDJUNJ-NWDGAFQWSA-N 0 3 238.400 3.449 20 0 BGADHN C[C@H]1CCCC[C@H]1CCNCc1cscn1 ZINC000309392209 177085617 /nfs/dbraw/zinc/08/56/17/177085617.db2.gz FZRMEWFCYDJUNJ-RYUDHWBXSA-N 0 3 238.400 3.449 20 0 BGADHN C[C@@H]1CCCC[C@@H]1CCNCc1cscn1 ZINC000309392211 176075687 /nfs/dbraw/zinc/07/56/87/176075687.db2.gz FZRMEWFCYDJUNJ-VXGBXAGGSA-N 0 3 238.400 3.449 20 0 BGADHN Cc1ncc([C@@H](C)NCCC2(F)CCC2)s1 ZINC000309394836 491148251 /nfs/dbraw/zinc/14/82/51/491148251.db2.gz GLJKKIQOSLCNFC-SECBINFHSA-N 0 3 242.363 3.384 20 0 BGADHN Cc1ncc([C@H](C)NCCC2(F)CCC2)s1 ZINC000309394838 491054323 /nfs/dbraw/zinc/05/43/23/491054323.db2.gz GLJKKIQOSLCNFC-VIFPVBQESA-N 0 3 242.363 3.384 20 0 BGADHN C[C@@H](NCCCOC(C)(C)C)c1ccoc1 ZINC000309397170 491147858 /nfs/dbraw/zinc/14/78/58/491147858.db2.gz GTKCTOVJCFLPFE-LLVKDONJSA-N 0 3 225.332 3.135 20 0 BGADHN C[C@H](NCCCOC(C)(C)C)c1ccoc1 ZINC000309397171 491054346 /nfs/dbraw/zinc/05/43/46/491054346.db2.gz GTKCTOVJCFLPFE-NSHDSACASA-N 0 3 225.332 3.135 20 0 BGADHN C[C@@H](CNCC1(F)CC1)c1ccc(F)cc1 ZINC000309397199 323372787 /nfs/dbraw/zinc/37/27/87/323372787.db2.gz GTWUCQIXDXPVJJ-JTQLQIEISA-N 0 3 225.282 3.021 20 0 BGADHN C[C@H](CNCC1(F)CC1)c1ccc(F)cc1 ZINC000309397200 323372716 /nfs/dbraw/zinc/37/27/16/323372716.db2.gz GTWUCQIXDXPVJJ-SNVBAGLBSA-N 0 3 225.282 3.021 20 0 BGADHN CC(C)OC[C@@H](C)NCc1cccc(Cl)c1 ZINC000309404133 167256215 /nfs/dbraw/zinc/25/62/15/167256215.db2.gz WWZVQAQMTQVFBJ-LLVKDONJSA-N 0 3 241.762 3.243 20 0 BGADHN CC(C)OC[C@H](C)NCc1cccc(Cl)c1 ZINC000309404135 167265915 /nfs/dbraw/zinc/26/59/15/167265915.db2.gz WWZVQAQMTQVFBJ-NSHDSACASA-N 0 3 241.762 3.243 20 0 BGADHN CC(C)(C)c1cnc(CNC2CC=CC2)s1 ZINC000309404965 491148726 /nfs/dbraw/zinc/14/87/26/491148726.db2.gz WZUIHDPTXZZYQX-UHFFFAOYSA-N 0 3 236.384 3.249 20 0 BGADHN C[C@H](N[C@@H]1CC(C)(C)C[C@@H]1C)c1ccon1 ZINC000309405730 385572988 /nfs/dbraw/zinc/57/29/88/385572988.db2.gz HYQBANOJLDAGHI-JBLDHEPKSA-N 0 3 222.332 3.150 20 0 BGADHN C[C@H](N[C@@H]1CC(C)(C)C[C@H]1C)c1ccon1 ZINC000309405731 385573018 /nfs/dbraw/zinc/57/30/18/385573018.db2.gz HYQBANOJLDAGHI-JFGNBEQYSA-N 0 3 222.332 3.150 20 0 BGADHN C[C@H](N[C@H]1CC(C)(C)C[C@@H]1C)c1ccon1 ZINC000309405732 176917913 /nfs/dbraw/zinc/91/79/13/176917913.db2.gz HYQBANOJLDAGHI-NHCYSSNCSA-N 0 3 222.332 3.150 20 0 BGADHN C[C@H](N[C@H]1CC(C)(C)C[C@H]1C)c1ccon1 ZINC000309405733 385572805 /nfs/dbraw/zinc/57/28/05/385572805.db2.gz HYQBANOJLDAGHI-SCVCMEIPSA-N 0 3 222.332 3.150 20 0 BGADHN CC(C)(C)CCCN[C@H](CO)c1ccsc1 ZINC000309405936 385572450 /nfs/dbraw/zinc/57/24/50/385572450.db2.gz XEJUGLPCBVFDLP-GFCCVEGCSA-N 0 3 241.400 3.197 20 0 BGADHN CC(C)(C)CCCN[C@@H](CO)c1ccsc1 ZINC000309405937 385572707 /nfs/dbraw/zinc/57/27/07/385572707.db2.gz XEJUGLPCBVFDLP-LBPRGKRZSA-N 0 3 241.400 3.197 20 0 BGADHN C[C@H](CNCc1ccc(F)cc1)C(F)(F)F ZINC000309406742 385572560 /nfs/dbraw/zinc/57/25/60/385572560.db2.gz XIDIVFKWFSIINS-MRVPVSSYSA-N 0 3 235.224 3.114 20 0 BGADHN C[C@@H](CNCc1ccc(F)cc1)C(F)(F)F ZINC000309406744 385572661 /nfs/dbraw/zinc/57/26/61/385572661.db2.gz XIDIVFKWFSIINS-QMMMGPOBSA-N 0 3 235.224 3.114 20 0 BGADHN CCOc1c(Cl)cccc1CNCC1CC1 ZINC000309407182 385572629 /nfs/dbraw/zinc/57/26/29/385572629.db2.gz BBPZCIUJBKZSCD-UHFFFAOYSA-N 0 3 239.746 3.238 20 0 BGADHN CCO[C@@H]1C[C@@H]1N[C@H](C)c1ccc(CC)s1 ZINC000309409923 259343215 /nfs/dbraw/zinc/34/32/15/259343215.db2.gz BQCYWAYGSGFKKC-ADEWGFFLSA-N 0 3 239.384 3.139 20 0 BGADHN CCO[C@@H]1C[C@H]1N[C@@H](C)c1ccc(CC)s1 ZINC000309409925 259343264 /nfs/dbraw/zinc/34/32/64/259343264.db2.gz BQCYWAYGSGFKKC-MVWJERBFSA-N 0 3 239.384 3.139 20 0 BGADHN CCO[C@@H]1C[C@H]1N[C@H](C)c1ccc(CC)s1 ZINC000309409927 259343145 /nfs/dbraw/zinc/34/31/45/259343145.db2.gz BQCYWAYGSGFKKC-YUSALJHKSA-N 0 3 239.384 3.139 20 0 BGADHN CCO[C@@H]1C[C@@H]1N[C@@H](C)c1ccc(CC)s1 ZINC000309409929 259343281 /nfs/dbraw/zinc/34/32/81/259343281.db2.gz BQCYWAYGSGFKKC-ZMLRMANQSA-N 0 3 239.384 3.139 20 0 BGADHN C[C@H](CNCc1nccs1)C1CCCCC1 ZINC000309411201 350372370 /nfs/dbraw/zinc/37/23/70/350372370.db2.gz INOCCZXJSJTMFU-LLVKDONJSA-N 0 3 238.400 3.449 20 0 BGADHN C[C@@H](CNCc1nccs1)C1CCCCC1 ZINC000309411203 350372213 /nfs/dbraw/zinc/37/22/13/350372213.db2.gz INOCCZXJSJTMFU-NSHDSACASA-N 0 3 238.400 3.449 20 0 BGADHN Cc1cccc(CNC[C@H](C)C(F)(F)F)c1 ZINC000309412007 383977204 /nfs/dbraw/zinc/97/72/04/383977204.db2.gz YCGJBWGVSLOFNN-JTQLQIEISA-N 0 3 231.261 3.283 20 0 BGADHN Cc1cccc(CNC[C@@H](C)C(F)(F)F)c1 ZINC000309412009 383978458 /nfs/dbraw/zinc/97/84/58/383978458.db2.gz YCGJBWGVSLOFNN-SNVBAGLBSA-N 0 3 231.261 3.283 20 0 BGADHN CC(C)C(C)(C)NCc1cc(F)ccc1F ZINC000309413720 358446934 /nfs/dbraw/zinc/44/69/34/358446934.db2.gz YLHVGWZOSRZBJV-UHFFFAOYSA-N 0 3 227.298 3.489 20 0 BGADHN C[C@H]1CC[C@H]1NCc1cnc(C(C)(C)C)s1 ZINC000309415213 177207004 /nfs/dbraw/zinc/20/70/04/177207004.db2.gz JKGPNPNJAWMLFC-GXSJLCMTSA-N 0 3 238.400 3.329 20 0 BGADHN C[C@@H]1CC[C@@H]1NCc1cnc(C(C)(C)C)s1 ZINC000309415422 176217002 /nfs/dbraw/zinc/21/70/02/176217002.db2.gz JKGPNPNJAWMLFC-KOLCDFICSA-N 0 3 238.400 3.329 20 0 BGADHN C[C@@H]1CC[C@H]1NCc1cnc(C(C)(C)C)s1 ZINC000309415430 176236931 /nfs/dbraw/zinc/23/69/31/176236931.db2.gz JKGPNPNJAWMLFC-MWLCHTKSSA-N 0 3 238.400 3.329 20 0 BGADHN C[C@H]1CC[C@@H]1NCc1cnc(C(C)(C)C)s1 ZINC000309415435 177195938 /nfs/dbraw/zinc/19/59/38/177195938.db2.gz JKGPNPNJAWMLFC-ONGXEEELSA-N 0 3 238.400 3.329 20 0 BGADHN CC(C)C(C)(C)[NH2+]Cc1cc([O-])cc(F)c1 ZINC000309416471 347057560 /nfs/dbraw/zinc/05/75/60/347057560.db2.gz YUNUPHLQZITTFY-UHFFFAOYSA-N 0 3 225.307 3.056 20 0 BGADHN CC(C)[C@@H](NC1CCC1)c1ccc(F)cn1 ZINC000309417590 167431549 /nfs/dbraw/zinc/43/15/49/167431549.db2.gz ZBLAPZQKJIALAT-CYBMUJFWSA-N 0 3 222.307 3.060 20 0 BGADHN CC(C)[C@H](NC1CCC1)c1ccc(F)cn1 ZINC000309417592 188307075 /nfs/dbraw/zinc/30/70/75/188307075.db2.gz ZBLAPZQKJIALAT-ZDUSSCGKSA-N 0 3 222.307 3.060 20 0 BGADHN Cc1ccc(F)c(CN[C@@H]2CCC2(C)C)c1 ZINC000309418628 383983489 /nfs/dbraw/zinc/98/34/89/383983489.db2.gz JWDVCWXBPULKCZ-CYBMUJFWSA-N 0 3 221.319 3.412 20 0 BGADHN Cc1ccc(F)c(CN[C@H]2CCC2(C)C)c1 ZINC000309418630 383983743 /nfs/dbraw/zinc/98/37/43/383983743.db2.gz JWDVCWXBPULKCZ-ZDUSSCGKSA-N 0 3 221.319 3.412 20 0 BGADHN CC(C)c1ncc(CN[C@H]2[C@@H]3CCC[C@@H]32)s1 ZINC000309421795 387670292 /nfs/dbraw/zinc/67/02/92/387670292.db2.gz ZTTXZXMWUGWLFB-GDNZZTSVSA-N 0 3 236.384 3.155 20 0 BGADHN C[C@@H](NCC[C@H](C)F)c1ccc(F)cc1F ZINC000309423266 385578023 /nfs/dbraw/zinc/57/80/23/385578023.db2.gz KBEYVXJWSOGTKH-DTWKUNHWSA-N 0 3 231.261 3.364 20 0 BGADHN C[C@@H](F)CCN[C@H](C)c1ccc(F)cc1F ZINC000309423269 385577212 /nfs/dbraw/zinc/57/72/12/385577212.db2.gz KBEYVXJWSOGTKH-RKDXNWHRSA-N 0 3 231.261 3.364 20 0 BGADHN C[C@H](N[C@@H]1COc2cccc(Cl)c21)C1CC1 ZINC000309423987 385577238 /nfs/dbraw/zinc/57/72/38/385577238.db2.gz AMYUYPWHVBUSJD-GZMMTYOYSA-N 0 3 237.730 3.162 20 0 BGADHN C[C@@H](N[C@H]1COc2cccc(Cl)c21)C1CC1 ZINC000309423991 491124396 /nfs/dbraw/zinc/12/43/96/491124396.db2.gz AMYUYPWHVBUSJD-KCJUWKMLSA-N 0 3 237.730 3.162 20 0 BGADHN C[C@H](N[C@H]1COc2cccc(Cl)c21)C1CC1 ZINC000309423995 385578117 /nfs/dbraw/zinc/57/81/17/385578117.db2.gz AMYUYPWHVBUSJD-KWQFWETISA-N 0 3 237.730 3.162 20 0 BGADHN C[C@@H](N[C@@H]1COc2cccc(Cl)c21)C1CC1 ZINC000309423998 385578171 /nfs/dbraw/zinc/57/81/71/385578171.db2.gz AMYUYPWHVBUSJD-LDYMZIIASA-N 0 3 237.730 3.162 20 0 BGADHN c1nc(C2CC2)c(CNC2(C3CC3)CC2)s1 ZINC000309424646 566433289 /nfs/dbraw/zinc/43/32/89/566433289.db2.gz YKTBJISYGAWXFZ-UHFFFAOYSA-N 0 3 234.368 3.053 20 0 BGADHN CC[C@@H](C)[C@@H](C)NCc1nnc(C(C)C)s1 ZINC000309427204 384361217 /nfs/dbraw/zinc/36/12/17/384361217.db2.gz FMPUNABHUXJBBL-NXEZZACHSA-N 0 3 241.404 3.186 20 0 BGADHN CC[C@H](C)[C@H](C)NCc1nnc(C(C)C)s1 ZINC000309427207 171389729 /nfs/dbraw/zinc/38/97/29/171389729.db2.gz FMPUNABHUXJBBL-UWVGGRQHSA-N 0 3 241.404 3.186 20 0 BGADHN CC[C@H](C)[C@@H](C)NCc1nnc(C(C)C)s1 ZINC000309427210 171366929 /nfs/dbraw/zinc/36/69/29/171366929.db2.gz FMPUNABHUXJBBL-VHSXEESVSA-N 0 3 241.404 3.186 20 0 BGADHN CC[C@@H](C)[C@H](C)NCc1nnc(C(C)C)s1 ZINC000309427213 385579330 /nfs/dbraw/zinc/57/93/30/385579330.db2.gz FMPUNABHUXJBBL-ZJUUUORDSA-N 0 3 241.404 3.186 20 0 BGADHN Cc1cc(CNCCCC2CCCC2)on1 ZINC000309438591 386010061 /nfs/dbraw/zinc/01/00/61/386010061.db2.gz NNFXQDWSVYFZMC-UHFFFAOYSA-N 0 3 222.332 3.043 20 0 BGADHN CCCC[C@H](CC)CN[C@H](C)c1ncc[nH]1 ZINC000309439554 491148280 /nfs/dbraw/zinc/14/82/80/491148280.db2.gz IDBSQOWWERDGBH-NEPJUHHUSA-N 0 3 223.364 3.277 20 0 BGADHN CCCC[C@@H](CC)CN[C@@H](C)c1ncc[nH]1 ZINC000309439555 491098016 /nfs/dbraw/zinc/09/80/16/491098016.db2.gz IDBSQOWWERDGBH-NWDGAFQWSA-N 0 3 223.364 3.277 20 0 BGADHN CCCC[C@H](CC)CN[C@@H](C)c1ncc[nH]1 ZINC000309439557 491148262 /nfs/dbraw/zinc/14/82/62/491148262.db2.gz IDBSQOWWERDGBH-RYUDHWBXSA-N 0 3 223.364 3.277 20 0 BGADHN CCCC[C@@H](CC)CN[C@H](C)c1ncc[nH]1 ZINC000309439558 491098025 /nfs/dbraw/zinc/09/80/25/491098025.db2.gz IDBSQOWWERDGBH-VXGBXAGGSA-N 0 3 223.364 3.277 20 0 BGADHN CCc1ccc(CNCC2CC(C)(C)C2)o1 ZINC000309441010 323407743 /nfs/dbraw/zinc/40/77/43/323407743.db2.gz INJAQSXZWHUEKX-UHFFFAOYSA-N 0 3 221.344 3.368 20 0 BGADHN CCCC[C@H]1CCC[C@@H]1NCc1ccno1 ZINC000309441031 347063143 /nfs/dbraw/zinc/06/31/43/347063143.db2.gz INUYHOMETQUUKU-AAEUAGOBSA-N 0 3 222.332 3.123 20 0 BGADHN CCCC[C@@H]1CCC[C@H]1NCc1ccno1 ZINC000309441033 350454910 /nfs/dbraw/zinc/45/49/10/350454910.db2.gz INUYHOMETQUUKU-DGCLKSJQSA-N 0 3 222.332 3.123 20 0 BGADHN CCCC[C@H]1CCC[C@H]1NCc1ccno1 ZINC000309441034 347063424 /nfs/dbraw/zinc/06/34/24/347063424.db2.gz INUYHOMETQUUKU-WCQYABFASA-N 0 3 222.332 3.123 20 0 BGADHN CCCC[C@@H]1CCC[C@@H]1NCc1ccno1 ZINC000309441035 350454694 /nfs/dbraw/zinc/45/46/94/350454694.db2.gz INUYHOMETQUUKU-YPMHNXCESA-N 0 3 222.332 3.123 20 0 BGADHN CC1(C)CC[C@H]1NCc1cc(F)cc(F)c1 ZINC000309443439 385584326 /nfs/dbraw/zinc/58/43/26/385584326.db2.gz OXQIPKQUQWSHDU-GFCCVEGCSA-N 0 3 225.282 3.243 20 0 BGADHN CC1(C)CC[C@@H]1NCc1cc(F)cc(F)c1 ZINC000309443440 347063159 /nfs/dbraw/zinc/06/31/59/347063159.db2.gz OXQIPKQUQWSHDU-LBPRGKRZSA-N 0 3 225.282 3.243 20 0 BGADHN CC[C@@H](NCCCCF)c1c(C)noc1C ZINC000309444646 385584113 /nfs/dbraw/zinc/58/41/13/385584113.db2.gz JKVJCTJKXYLEID-LLVKDONJSA-N 0 3 228.311 3.082 20 0 BGADHN CC[C@H](NCCCCF)c1c(C)noc1C ZINC000309444648 385584389 /nfs/dbraw/zinc/58/43/89/385584389.db2.gz JKVJCTJKXYLEID-NSHDSACASA-N 0 3 228.311 3.082 20 0 BGADHN C[C@@H](N[C@@H]1CC2CCC1CC2)c1nccs1 ZINC000309446282 385587378 /nfs/dbraw/zinc/58/73/78/385587378.db2.gz LKSOGCSSLAOYPL-HBIQZDMRSA-N 0 3 236.384 3.372 20 0 BGADHN C[C@H](N[C@@H]1CC2CCC1CC2)c1nccs1 ZINC000309446283 385586784 /nfs/dbraw/zinc/58/67/84/385586784.db2.gz LKSOGCSSLAOYPL-WNYYMSAVSA-N 0 3 236.384 3.372 20 0 BGADHN C[C@H](N[C@H]1CC2CCC1CC2)c1nccs1 ZINC000309446284 385586292 /nfs/dbraw/zinc/58/62/92/385586292.db2.gz LKSOGCSSLAOYPL-XKGSQUFQSA-N 0 3 236.384 3.372 20 0 BGADHN C[C@@H](N[C@H]1CC2CCC1CC2)c1nccs1 ZINC000309446285 385586696 /nfs/dbraw/zinc/58/66/96/385586696.db2.gz LKSOGCSSLAOYPL-YYJSSNLHSA-N 0 3 236.384 3.372 20 0 BGADHN C[C@@H](NCCOCC1CCC1)c1ccsc1 ZINC000309447939 350500084 /nfs/dbraw/zinc/50/00/84/350500084.db2.gz LUHLPGBTWWHYBD-LLVKDONJSA-N 0 3 239.384 3.215 20 0 BGADHN C[C@H](NCCOCC1CCC1)c1ccsc1 ZINC000309447940 350499384 /nfs/dbraw/zinc/49/93/84/350499384.db2.gz LUHLPGBTWWHYBD-NSHDSACASA-N 0 3 239.384 3.215 20 0 BGADHN COCC1(N[C@@H](C)c2cccc(Cl)c2)CC1 ZINC000309448273 387778212 /nfs/dbraw/zinc/77/82/12/387778212.db2.gz KKLJPBXCMSGZOZ-JTQLQIEISA-N 0 3 239.746 3.170 20 0 BGADHN COCC1(N[C@H](C)c2cccc(Cl)c2)CC1 ZINC000309448275 323407624 /nfs/dbraw/zinc/40/76/24/323407624.db2.gz KKLJPBXCMSGZOZ-SNVBAGLBSA-N 0 3 239.746 3.170 20 0 BGADHN CCO[C@@H]1C[C@@H]1N[C@H](C)c1cc(C)sc1C ZINC000309451238 350499928 /nfs/dbraw/zinc/49/99/28/350499928.db2.gz LFDBSSXVTUWLGS-JIMOISOXSA-N 0 3 239.384 3.193 20 0 BGADHN CCO[C@@H]1C[C@H]1N[C@H](C)c1cc(C)sc1C ZINC000309451239 347065160 /nfs/dbraw/zinc/06/51/60/347065160.db2.gz LFDBSSXVTUWLGS-OASPWFOLSA-N 0 3 239.384 3.193 20 0 BGADHN CCO[C@@H]1C[C@@H]1N[C@@H](C)c1cc(C)sc1C ZINC000309451240 347065529 /nfs/dbraw/zinc/06/55/29/347065529.db2.gz LFDBSSXVTUWLGS-TVYUQYBPSA-N 0 3 239.384 3.193 20 0 BGADHN CCO[C@@H]1C[C@H]1N[C@@H](C)c1cc(C)sc1C ZINC000309451241 347065168 /nfs/dbraw/zinc/06/51/68/347065168.db2.gz LFDBSSXVTUWLGS-ZWKOPEQDSA-N 0 3 239.384 3.193 20 0 BGADHN COCC1(N[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000309452670 387790528 /nfs/dbraw/zinc/79/05/28/387790528.db2.gz LPQDFBPNRMQLMU-JTQLQIEISA-N 0 3 239.746 3.170 20 0 BGADHN COCC1(N[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000309452672 387790521 /nfs/dbraw/zinc/79/05/21/387790521.db2.gz LPQDFBPNRMQLMU-SNVBAGLBSA-N 0 3 239.746 3.170 20 0 BGADHN C[C@@H](NCCC1(F)CCC1)c1ccccn1 ZINC000309452847 385585852 /nfs/dbraw/zinc/58/58/52/385585852.db2.gz MXOQJIIRNQVTJI-LLVKDONJSA-N 0 3 222.307 3.015 20 0 BGADHN C[C@H](NCCC1(F)CCC1)c1ccccn1 ZINC000309452849 385585860 /nfs/dbraw/zinc/58/58/60/385585860.db2.gz MXOQJIIRNQVTJI-NSHDSACASA-N 0 3 222.307 3.015 20 0 BGADHN CC(C)=CCCN[C@H](C)c1ccncc1F ZINC000309456078 188145402 /nfs/dbraw/zinc/14/54/02/188145402.db2.gz NTASTYKNIPRKEF-LLVKDONJSA-N 0 3 222.307 3.228 20 0 BGADHN CC(C)=CCCN[C@@H](C)c1ccncc1F ZINC000309456080 385588142 /nfs/dbraw/zinc/58/81/42/385588142.db2.gz NTASTYKNIPRKEF-NSHDSACASA-N 0 3 222.307 3.228 20 0 BGADHN Cc1csc(C2(NC[C@H]3C[C@@H]3C)CCC2)n1 ZINC000309456557 385588514 /nfs/dbraw/zinc/58/85/14/385588514.db2.gz NUJCBBQCMHHHDH-GXSJLCMTSA-N 0 3 236.384 3.076 20 0 BGADHN Cc1csc(C2(NC[C@@H]3C[C@H]3C)CCC2)n1 ZINC000309456558 385588234 /nfs/dbraw/zinc/58/82/34/385588234.db2.gz NUJCBBQCMHHHDH-KOLCDFICSA-N 0 3 236.384 3.076 20 0 BGADHN Cc1csc(C2(NC[C@H]3C[C@H]3C)CCC2)n1 ZINC000309456559 385588818 /nfs/dbraw/zinc/58/88/18/385588818.db2.gz NUJCBBQCMHHHDH-MWLCHTKSSA-N 0 3 236.384 3.076 20 0 BGADHN Cc1csc(C2(NC[C@@H]3C[C@@H]3C)CCC2)n1 ZINC000309456560 410101843 /nfs/dbraw/zinc/10/18/43/410101843.db2.gz NUJCBBQCMHHHDH-ONGXEEELSA-N 0 3 236.384 3.076 20 0 BGADHN COCC1(N[C@@H](C)c2cc(C)sc2C)CC1 ZINC000309460096 323411422 /nfs/dbraw/zinc/41/14/22/323411422.db2.gz NRESKMWKHFUHQU-JTQLQIEISA-N 0 3 239.384 3.195 20 0 BGADHN COCC1(N[C@H](C)c2cc(C)sc2C)CC1 ZINC000309460099 387792496 /nfs/dbraw/zinc/79/24/96/387792496.db2.gz NRESKMWKHFUHQU-SNVBAGLBSA-N 0 3 239.384 3.195 20 0 BGADHN CC1CCC(C)(CNCc2nccs2)CC1 ZINC000309461441 491055409 /nfs/dbraw/zinc/05/54/09/491055409.db2.gz OXQFRWTZISEITL-UHFFFAOYSA-N 0 3 238.400 3.449 20 0 BGADHN C[C@H]1CC[C@H]1Nc1ccnc2ccccc21 ZINC000309462645 384088864 /nfs/dbraw/zinc/08/88/64/384088864.db2.gz UYHHCZJQILIZMN-CMPLNLGQSA-N 0 3 212.296 3.445 20 0 BGADHN C[C@H]1CC[C@@H]1Nc1ccnc2ccccc21 ZINC000309462653 384089178 /nfs/dbraw/zinc/08/91/78/384089178.db2.gz UYHHCZJQILIZMN-JQWIXIFHSA-N 0 3 212.296 3.445 20 0 BGADHN C[C@@H]1CC[C@@H]1Nc1ccnc2ccccc21 ZINC000309462661 384089909 /nfs/dbraw/zinc/08/99/09/384089909.db2.gz UYHHCZJQILIZMN-PWSUYJOCSA-N 0 3 212.296 3.445 20 0 BGADHN C[C@@H]1CC[C@H]1Nc1ccnc2ccccc21 ZINC000309462670 384088543 /nfs/dbraw/zinc/08/85/43/384088543.db2.gz UYHHCZJQILIZMN-ZYHUDNBSSA-N 0 3 212.296 3.445 20 0 BGADHN CC[C@H](CNCc1ccc(Cl)c(C)c1)OC ZINC000309464081 385593767 /nfs/dbraw/zinc/59/37/67/385593767.db2.gz OTRFLEDHODPQIQ-GFCCVEGCSA-N 0 3 241.762 3.163 20 0 BGADHN CC[C@@H](CNCc1ccc(Cl)c(C)c1)OC ZINC000309464083 385593502 /nfs/dbraw/zinc/59/35/02/385593502.db2.gz OTRFLEDHODPQIQ-LBPRGKRZSA-N 0 3 241.762 3.163 20 0 BGADHN Cc1ccc([C@H](C)N[C@H]2CC2(C)C)c(C)n1 ZINC000309467139 487971544 /nfs/dbraw/zinc/97/15/44/487971544.db2.gz QEEUPGDBUMGRNU-AAEUAGOBSA-N 0 3 218.344 3.148 20 0 BGADHN Cc1ccc([C@@H](C)N[C@@H]2CC2(C)C)c(C)n1 ZINC000309467140 583070887 /nfs/dbraw/zinc/07/08/87/583070887.db2.gz QEEUPGDBUMGRNU-DGCLKSJQSA-N 0 3 218.344 3.148 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H]2CC2(C)C)c(C)n1 ZINC000309467141 583070819 /nfs/dbraw/zinc/07/08/19/583070819.db2.gz QEEUPGDBUMGRNU-WCQYABFASA-N 0 3 218.344 3.148 20 0 BGADHN Cc1ccc([C@@H](C)N[C@H]2CC2(C)C)c(C)n1 ZINC000309467142 487971596 /nfs/dbraw/zinc/97/15/96/487971596.db2.gz QEEUPGDBUMGRNU-YPMHNXCESA-N 0 3 218.344 3.148 20 0 BGADHN CC[C@@H](NCc1ccno1)C1CCCCC1 ZINC000309467469 491149262 /nfs/dbraw/zinc/14/92/62/491149262.db2.gz PUQBVAHPGZFYNA-CYBMUJFWSA-N 0 3 222.332 3.123 20 0 BGADHN CC[C@H](NCc1ccno1)C1CCCCC1 ZINC000309467470 491149223 /nfs/dbraw/zinc/14/92/23/491149223.db2.gz PUQBVAHPGZFYNA-ZDUSSCGKSA-N 0 3 222.332 3.123 20 0 BGADHN CCSCCN[C@H](C)c1ccncc1CC ZINC000309470823 385599183 /nfs/dbraw/zinc/59/91/83/385599183.db2.gz QQLFWXBOCKUUFI-LLVKDONJSA-N 0 3 238.400 3.048 20 0 BGADHN CCSCCN[C@@H](C)c1ccncc1CC ZINC000309470824 385599187 /nfs/dbraw/zinc/59/91/87/385599187.db2.gz QQLFWXBOCKUUFI-NSHDSACASA-N 0 3 238.400 3.048 20 0 BGADHN CC[C@H](N[C@@H]1CC[C@H]1C)c1ccc(F)cn1 ZINC000309471531 385601423 /nfs/dbraw/zinc/60/14/23/385601423.db2.gz XASQXTGDWHLQMG-ADEWGFFLSA-N 0 3 222.307 3.060 20 0 BGADHN CC[C@H](N[C@H]1CC[C@@H]1C)c1ccc(F)cn1 ZINC000309471533 385600864 /nfs/dbraw/zinc/60/08/64/385600864.db2.gz XASQXTGDWHLQMG-DLOVCJGASA-N 0 3 222.307 3.060 20 0 BGADHN CC[C@H](N[C@H]1CC[C@H]1C)c1ccc(F)cn1 ZINC000309471535 385601171 /nfs/dbraw/zinc/60/11/71/385601171.db2.gz XASQXTGDWHLQMG-USWWRNFRSA-N 0 3 222.307 3.060 20 0 BGADHN CC[C@H](N[C@@H]1CC[C@@H]1C)c1ccc(F)cn1 ZINC000309471537 385600622 /nfs/dbraw/zinc/60/06/22/385600622.db2.gz XASQXTGDWHLQMG-ZMLRMANQSA-N 0 3 222.307 3.060 20 0 BGADHN CCc1ccc([C@H](C)NC2(COC)CC2)s1 ZINC000309472580 387807857 /nfs/dbraw/zinc/80/78/57/387807857.db2.gz QZFWLEQMAUAHHX-JTQLQIEISA-N 0 3 239.384 3.140 20 0 BGADHN CCc1ccc([C@@H](C)NC2(COC)CC2)s1 ZINC000309472581 387807947 /nfs/dbraw/zinc/80/79/47/387807947.db2.gz QZFWLEQMAUAHHX-SNVBAGLBSA-N 0 3 239.384 3.140 20 0 BGADHN Fc1ccccc1CNC1CC2(CCC2)C1 ZINC000309474886 181012186 /nfs/dbraw/zinc/01/21/86/181012186.db2.gz BQONHXFQLXEGFC-UHFFFAOYSA-N 0 3 219.303 3.248 20 0 BGADHN CC[C@H](CC(F)(F)F)NCc1ccc(C)o1 ZINC000309477524 385605637 /nfs/dbraw/zinc/60/56/37/385605637.db2.gz SDMMQOHLGVEYKD-SECBINFHSA-N 0 3 235.249 3.409 20 0 BGADHN CC[C@@H](CC(F)(F)F)NCc1ccc(C)o1 ZINC000309477526 385606603 /nfs/dbraw/zinc/60/66/03/385606603.db2.gz SDMMQOHLGVEYKD-VIFPVBQESA-N 0 3 235.249 3.409 20 0 BGADHN Cc1ccc([C@H](C)NC[C@@H]2C[C@H]2C2CC2)o1 ZINC000309477559 384091193 /nfs/dbraw/zinc/09/11/93/384091193.db2.gz SFWFNUAVWQUEFZ-DRZSPHRISA-N 0 3 219.328 3.285 20 0 BGADHN FC1(CN[C@@H]2CCCc3ccccc32)CC1 ZINC000309480898 387805117 /nfs/dbraw/zinc/80/51/17/387805117.db2.gz DONDXRVMPGWIIA-CYBMUJFWSA-N 0 3 219.303 3.156 20 0 BGADHN FC1(CN[C@H]2CCCc3ccccc32)CC1 ZINC000309480900 387805161 /nfs/dbraw/zinc/80/51/61/387805161.db2.gz DONDXRVMPGWIIA-ZDUSSCGKSA-N 0 3 219.303 3.156 20 0 BGADHN Fc1cccc(CN[C@@H]2CC23CCCC3)c1 ZINC000309482503 385607721 /nfs/dbraw/zinc/60/77/21/385607721.db2.gz FAVZTUDIRRHFDQ-CYBMUJFWSA-N 0 3 219.303 3.248 20 0 BGADHN Fc1cccc(CN[C@H]2CC23CCCC3)c1 ZINC000309482504 385607755 /nfs/dbraw/zinc/60/77/55/385607755.db2.gz FAVZTUDIRRHFDQ-ZDUSSCGKSA-N 0 3 219.303 3.248 20 0 BGADHN Fc1cc(Cl)cc(CN[C@@H]2CC[C@H](F)C2)c1 ZINC000309484255 385611169 /nfs/dbraw/zinc/61/11/69/385611169.db2.gz FSHSNPSQJPULCQ-CMPLNLGQSA-N 0 3 245.700 3.459 20 0 BGADHN Fc1cc(Cl)cc(CN[C@H]2CC[C@H](F)C2)c1 ZINC000309484256 385610908 /nfs/dbraw/zinc/61/09/08/385610908.db2.gz FSHSNPSQJPULCQ-JQWIXIFHSA-N 0 3 245.700 3.459 20 0 BGADHN Fc1cc(Cl)cc(CN[C@H]2CC[C@@H](F)C2)c1 ZINC000309484257 385611097 /nfs/dbraw/zinc/61/10/97/385611097.db2.gz FSHSNPSQJPULCQ-PWSUYJOCSA-N 0 3 245.700 3.459 20 0 BGADHN Fc1cc(Cl)cc(CN[C@@H]2CC[C@@H](F)C2)c1 ZINC000309484258 385611553 /nfs/dbraw/zinc/61/15/53/385611553.db2.gz FSHSNPSQJPULCQ-ZYHUDNBSSA-N 0 3 245.700 3.459 20 0 BGADHN CCc1cc(NCCF)c2ccccc2n1 ZINC000309485092 385613098 /nfs/dbraw/zinc/61/30/98/385613098.db2.gz VDKHIZOXXFQYEG-UHFFFAOYSA-N 0 3 218.275 3.179 20 0 BGADHN Fc1ccccc1CNCCC1(F)CCC1 ZINC000309489781 181011156 /nfs/dbraw/zinc/01/11/56/181011156.db2.gz HZISSESBPHWJNG-UHFFFAOYSA-N 0 3 225.282 3.198 20 0 BGADHN Cc1cc(CNCC(C)(C)C(C)(C)C)on1 ZINC000309492091 386016042 /nfs/dbraw/zinc/01/60/42/386016042.db2.gz IWXUDKCBGAHGRN-UHFFFAOYSA-N 0 3 224.348 3.145 20 0 BGADHN Fc1ccc(Cl)cc1CN[C@@H]1CC[C@@H](F)C1 ZINC000309492599 385613447 /nfs/dbraw/zinc/61/34/47/385613447.db2.gz JAHSGTMONFRPBA-GHMZBOCLSA-N 0 3 245.700 3.459 20 0 BGADHN Fc1ccc(Cl)cc1CN[C@H]1CC[C@@H](F)C1 ZINC000309492602 385613074 /nfs/dbraw/zinc/61/30/74/385613074.db2.gz JAHSGTMONFRPBA-MNOVXSKESA-N 0 3 245.700 3.459 20 0 BGADHN Fc1ccc(Cl)cc1CN[C@H]1CC[C@H](F)C1 ZINC000309492604 385613574 /nfs/dbraw/zinc/61/35/74/385613574.db2.gz JAHSGTMONFRPBA-QWRGUYRKSA-N 0 3 245.700 3.459 20 0 BGADHN Fc1ccc(Cl)cc1CN[C@@H]1CC[C@H](F)C1 ZINC000309492606 385614469 /nfs/dbraw/zinc/61/44/69/385614469.db2.gz JAHSGTMONFRPBA-WDEREUQCSA-N 0 3 245.700 3.459 20 0 BGADHN CCCc1csc(CNC(C)(C)C2CC2)n1 ZINC000309493116 387809048 /nfs/dbraw/zinc/80/90/48/387809048.db2.gz XQUUHPIUBOJJLH-UHFFFAOYSA-N 0 3 238.400 3.374 20 0 BGADHN CCOC[C@H](C)NCc1ccc(Cl)c(C)c1 ZINC000309493154 385614371 /nfs/dbraw/zinc/61/43/71/385614371.db2.gz XRLHSJOBMUPWFB-NSHDSACASA-N 0 3 241.762 3.163 20 0 BGADHN CC1(CNCc2nc(C3CC3)cs2)CCC1 ZINC000309493230 491150187 /nfs/dbraw/zinc/15/01/87/491150187.db2.gz SRROVCDXAZFVHB-UHFFFAOYSA-N 0 3 236.384 3.300 20 0 BGADHN CCc1nc(C)c(CNCCC(C)(C)C)o1 ZINC000309494356 347076808 /nfs/dbraw/zinc/07/68/08/347076808.db2.gz YAACUWDWPKSDLZ-UHFFFAOYSA-N 0 3 224.348 3.071 20 0 BGADHN Cc1nnsc1CNCC(C)(C)C(C)(C)C ZINC000309494635 385615547 /nfs/dbraw/zinc/61/55/47/385615547.db2.gz JSDYQXWFFVIRRD-UHFFFAOYSA-N 0 3 241.404 3.008 20 0 BGADHN FCCCCNCc1cnc(C2CCC2)s1 ZINC000309499243 385623657 /nfs/dbraw/zinc/62/36/57/385623657.db2.gz LAOMZKBTWWSULT-UHFFFAOYSA-N 0 3 242.363 3.250 20 0 BGADHN C[C@@H](NCCCC1CCCC1)c1ncc[nH]1 ZINC000309500704 491150303 /nfs/dbraw/zinc/15/03/03/491150303.db2.gz UVEKPRBETRRVQZ-LLVKDONJSA-N 0 3 221.348 3.031 20 0 BGADHN C[C@H](NCCCC1CCCC1)c1ncc[nH]1 ZINC000309500706 491150301 /nfs/dbraw/zinc/15/03/01/491150301.db2.gz UVEKPRBETRRVQZ-NSHDSACASA-N 0 3 221.348 3.031 20 0 BGADHN C[C@H](CCC(F)(F)F)N[C@H](C)c1ccon1 ZINC000309502275 188344761 /nfs/dbraw/zinc/34/47/61/188344761.db2.gz BEDGKXYBJLQSKP-HTQZYQBOSA-N 0 3 236.237 3.056 20 0 BGADHN C[C@@H](N[C@@H](C)CCC(F)(F)F)c1ccon1 ZINC000309502279 385639729 /nfs/dbraw/zinc/63/97/29/385639729.db2.gz BEDGKXYBJLQSKP-JGVFFNPUSA-N 0 3 236.237 3.056 20 0 BGADHN C[C@H](CCC(F)(F)F)N[C@@H](C)c1ccon1 ZINC000309502283 385639694 /nfs/dbraw/zinc/63/96/94/385639694.db2.gz BEDGKXYBJLQSKP-SFYZADRCSA-N 0 3 236.237 3.056 20 0 BGADHN C[C@@H](CCC(F)(F)F)N[C@@H](C)c1ccon1 ZINC000309502287 385639339 /nfs/dbraw/zinc/63/93/39/385639339.db2.gz BEDGKXYBJLQSKP-YUMQZZPRSA-N 0 3 236.237 3.056 20 0 BGADHN CC(C)c1cc(CNCCC(C)(C)C)on1 ZINC000309502332 491150435 /nfs/dbraw/zinc/15/04/35/491150435.db2.gz BESOASIYZBZYLB-UHFFFAOYSA-N 0 3 224.348 3.324 20 0 BGADHN F[C@@H]1CC[C@@H](N[C@@H]2CCCc3occc32)C1 ZINC000309506378 385643278 /nfs/dbraw/zinc/64/32/78/385643278.db2.gz NGBKTWUHKBVUTM-CKYFFXLPSA-N 0 3 223.291 3.137 20 0 BGADHN F[C@@H]1CC[C@@H](N[C@H]2CCCc3occc32)C1 ZINC000309506379 385643435 /nfs/dbraw/zinc/64/34/35/385643435.db2.gz NGBKTWUHKBVUTM-FOGDFJRCSA-N 0 3 223.291 3.137 20 0 BGADHN F[C@@H]1CC[C@H](N[C@@H]2CCCc3occc32)C1 ZINC000309506381 385641330 /nfs/dbraw/zinc/64/13/30/385641330.db2.gz NGBKTWUHKBVUTM-JFGNBEQYSA-N 0 3 223.291 3.137 20 0 BGADHN F[C@@H]1CC[C@H](N[C@H]2CCCc3occc32)C1 ZINC000309506382 385642771 /nfs/dbraw/zinc/64/27/71/385642771.db2.gz NGBKTWUHKBVUTM-SCVCMEIPSA-N 0 3 223.291 3.137 20 0 BGADHN C[C@H](NCCC1(C)CC1)c1ccncc1F ZINC000309507938 385641307 /nfs/dbraw/zinc/64/13/07/385641307.db2.gz WKNKPUNVAYCUTI-JTQLQIEISA-N 0 3 222.307 3.062 20 0 BGADHN C[C@@H](NCCC1(C)CC1)c1ccncc1F ZINC000309507940 385641653 /nfs/dbraw/zinc/64/16/53/385641653.db2.gz WKNKPUNVAYCUTI-SNVBAGLBSA-N 0 3 222.307 3.062 20 0 BGADHN Fc1ccccc1CN[C@@H]1CC[C@H]1C1CC1 ZINC000309509484 181013142 /nfs/dbraw/zinc/01/31/42/181013142.db2.gz ORQNUJWLEKJGAY-GXTWGEPZSA-N 0 3 219.303 3.104 20 0 BGADHN Fc1ccccc1CN[C@H]1CC[C@H]1C1CC1 ZINC000309509485 181012591 /nfs/dbraw/zinc/01/25/91/181012591.db2.gz ORQNUJWLEKJGAY-JSGCOSHPSA-N 0 3 219.303 3.104 20 0 BGADHN Fc1ccccc1CN[C@H]1CC[C@@H]1C1CC1 ZINC000309509486 181013670 /nfs/dbraw/zinc/01/36/70/181013670.db2.gz ORQNUJWLEKJGAY-OCCSQVGLSA-N 0 3 219.303 3.104 20 0 BGADHN Fc1ccccc1CN[C@@H]1CC[C@@H]1C1CC1 ZINC000309509488 181013507 /nfs/dbraw/zinc/01/35/07/181013507.db2.gz ORQNUJWLEKJGAY-TZMCWYRMSA-N 0 3 219.303 3.104 20 0 BGADHN Clc1ccc(CN2CC3CCC2CC3)cn1 ZINC000309510381 385644259 /nfs/dbraw/zinc/64/42/59/385644259.db2.gz PCOVQEUCHGOSGE-UHFFFAOYSA-N 0 3 236.746 3.109 20 0 BGADHN C[C@@H](NC/C=C/Cl)c1ccc2c(c1)CCO2 ZINC000309512545 632432254 /nfs/dbraw/zinc/43/22/54/632432254.db2.gz XVANEXUWZOELQV-GCEAOBNSSA-N 0 3 237.730 3.025 20 0 BGADHN C[C@H](NC/C=C/Cl)c1ccc2c(c1)CCO2 ZINC000309512546 633939815 /nfs/dbraw/zinc/93/98/15/633939815.db2.gz XVANEXUWZOELQV-LFKJVQOCSA-N 0 3 237.730 3.025 20 0 BGADHN C[C@@H](NC/C=C\Cl)c1ccc2c(c1)CCO2 ZINC000309512547 633940457 /nfs/dbraw/zinc/94/04/57/633940457.db2.gz XVANEXUWZOELQV-LGIFSFGNSA-N 0 3 237.730 3.025 20 0 BGADHN C[C@H](NC/C=C\Cl)c1ccc2c(c1)CCO2 ZINC000309512548 632432637 /nfs/dbraw/zinc/43/26/37/632432637.db2.gz XVANEXUWZOELQV-RILPQGNRSA-N 0 3 237.730 3.025 20 0 BGADHN Clc1ncccc1CN[C@@H]1CC12CCCC2 ZINC000309514407 632432926 /nfs/dbraw/zinc/43/29/26/632432926.db2.gz QTNSQWRSDJPULE-LLVKDONJSA-N 0 3 236.746 3.157 20 0 BGADHN Clc1ncccc1CN[C@H]1CC12CCCC2 ZINC000309514408 633941503 /nfs/dbraw/zinc/94/15/03/633941503.db2.gz QTNSQWRSDJPULE-NSHDSACASA-N 0 3 236.746 3.157 20 0 BGADHN CC1(C)CC(NCc2cc(F)ccc2F)C1 ZINC000309515094 385654694 /nfs/dbraw/zinc/65/46/94/385654694.db2.gz YKOQZHNLIJLWFX-UHFFFAOYSA-N 0 3 225.282 3.243 20 0 BGADHN FC1(CNCc2ccc3sccc3c2)CC1 ZINC000309517008 350693359 /nfs/dbraw/zinc/69/33/59/350693359.db2.gz AESTYIWMMKFGCG-UHFFFAOYSA-N 0 3 235.327 3.493 20 0 BGADHN C[C@@H](NC1CC(F)(F)C1)c1cccc(F)c1 ZINC000309517478 385651493 /nfs/dbraw/zinc/65/14/93/385651493.db2.gz ZCLDSHDDMJOSFR-MRVPVSSYSA-N 0 3 229.245 3.274 20 0 BGADHN C[C@H](NC1CC(F)(F)C1)c1cccc(F)c1 ZINC000309517481 385651406 /nfs/dbraw/zinc/65/14/06/385651406.db2.gz ZCLDSHDDMJOSFR-QMMMGPOBSA-N 0 3 229.245 3.274 20 0 BGADHN C[C@@H](NCCCCF)c1nc2c(s1)CCC2 ZINC000309517835 385652936 /nfs/dbraw/zinc/65/29/36/385652936.db2.gz ZDPPJJQTTWRMNW-SECBINFHSA-N 0 3 242.363 3.032 20 0 BGADHN C[C@H](NCCCCF)c1nc2c(s1)CCC2 ZINC000309517837 176843079 /nfs/dbraw/zinc/84/30/79/176843079.db2.gz ZDPPJJQTTWRMNW-VIFPVBQESA-N 0 3 242.363 3.032 20 0 BGADHN Fc1cc(Cl)ccc1CN[C@@H]1CC[C@@H](F)C1 ZINC000309518257 385652454 /nfs/dbraw/zinc/65/24/54/385652454.db2.gz SLKBQOSZCPKQPA-GHMZBOCLSA-N 0 3 245.700 3.459 20 0 BGADHN Fc1cc(Cl)ccc1CN[C@H]1CC[C@@H](F)C1 ZINC000309518258 385652856 /nfs/dbraw/zinc/65/28/56/385652856.db2.gz SLKBQOSZCPKQPA-MNOVXSKESA-N 0 3 245.700 3.459 20 0 BGADHN Fc1cc(Cl)ccc1CN[C@H]1CC[C@H](F)C1 ZINC000309518260 385652727 /nfs/dbraw/zinc/65/27/27/385652727.db2.gz SLKBQOSZCPKQPA-QWRGUYRKSA-N 0 3 245.700 3.459 20 0 BGADHN Fc1cc(Cl)ccc1CN[C@@H]1CC[C@H](F)C1 ZINC000309518261 180948870 /nfs/dbraw/zinc/94/88/70/180948870.db2.gz SLKBQOSZCPKQPA-WDEREUQCSA-N 0 3 245.700 3.459 20 0 BGADHN Cc1ccc(CCN[C@H](C)c2ccco2)o1 ZINC000309520411 387815531 /nfs/dbraw/zinc/81/55/31/387815531.db2.gz ZXSZHLTYOKCYGG-LLVKDONJSA-N 0 3 219.284 3.074 20 0 BGADHN Cc1ccc(CCN[C@@H](C)c2ccco2)o1 ZINC000309520412 323422499 /nfs/dbraw/zinc/42/24/99/323422499.db2.gz ZXSZHLTYOKCYGG-NSHDSACASA-N 0 3 219.284 3.074 20 0 BGADHN CCc1cccc(Cl)c1CNCCCOC ZINC000309520865 385659727 /nfs/dbraw/zinc/65/97/27/385659727.db2.gz ANWZSQSOXMLWJW-UHFFFAOYSA-N 0 3 241.762 3.029 20 0 BGADHN CCc1nc(C)c(CN[C@@H](C)C(C)(C)C)o1 ZINC000309521644 347092517 /nfs/dbraw/zinc/09/25/17/347092517.db2.gz AOHZVXLUVDOXRL-JTQLQIEISA-N 0 3 224.348 3.070 20 0 BGADHN CCc1nc(C)c(CN[C@H](C)C(C)(C)C)o1 ZINC000309521652 347092588 /nfs/dbraw/zinc/09/25/88/347092588.db2.gz AOHZVXLUVDOXRL-SNVBAGLBSA-N 0 3 224.348 3.070 20 0 BGADHN FC1(F)CC(NC/C=C\c2ccccc2)C1 ZINC000309524564 385666262 /nfs/dbraw/zinc/66/62/62/385666262.db2.gz URWNDJBUUKJKJD-DAXSKMNVSA-N 0 3 223.266 3.087 20 0 BGADHN CC(C)(C)C(C)(C)CNCc1ccccn1 ZINC000309524571 385667986 /nfs/dbraw/zinc/66/79/86/385667986.db2.gz USEMORRWHHSGFT-UHFFFAOYSA-N 0 3 220.360 3.244 20 0 BGADHN CC(C)c1ccc(CNCC2(F)CC2)cc1 ZINC000309524989 323423449 /nfs/dbraw/zinc/42/34/49/323423449.db2.gz CLMIEPPHHQYDAM-UHFFFAOYSA-N 0 3 221.319 3.402 20 0 BGADHN C[C@H](N[C@H]1CC[C@@H](F)C1)c1ccccc1F ZINC000309525025 385667842 /nfs/dbraw/zinc/66/78/42/385667842.db2.gz CMGQFKOVVFOXLR-AXFHLTTASA-N 0 3 225.282 3.367 20 0 BGADHN C[C@H](N[C@H]1CC[C@H](F)C1)c1ccccc1F ZINC000309525026 385666668 /nfs/dbraw/zinc/66/66/68/385666668.db2.gz CMGQFKOVVFOXLR-DCAQKATOSA-N 0 3 225.282 3.367 20 0 BGADHN C[C@H](N[C@@H]1CC[C@H](F)C1)c1ccccc1F ZINC000309525027 385668015 /nfs/dbraw/zinc/66/80/15/385668015.db2.gz CMGQFKOVVFOXLR-GARJFASQSA-N 0 3 225.282 3.367 20 0 BGADHN C[C@H](N[C@@H]1CC[C@@H](F)C1)c1ccccc1F ZINC000309525028 385667137 /nfs/dbraw/zinc/66/71/37/385667137.db2.gz CMGQFKOVVFOXLR-HBNTYKKESA-N 0 3 225.282 3.367 20 0 BGADHN CC(C)C(C)(C)NCc1cccc(F)c1F ZINC000309525497 387817423 /nfs/dbraw/zinc/81/74/23/387817423.db2.gz AYPRZAUQIJVWCQ-UHFFFAOYSA-N 0 3 227.298 3.489 20 0 BGADHN Oc1cccc2c1CCC[C@@H]2NC/C=C\Cl ZINC000309526341 632469599 /nfs/dbraw/zinc/46/95/99/632469599.db2.gz UXZYXKCRKSZIBE-KJPDOOANSA-N 0 3 237.730 3.112 20 0 BGADHN CCC(C)(C)CN[C@@H](C)c1ccncc1F ZINC000309526607 168282413 /nfs/dbraw/zinc/28/24/13/168282413.db2.gz CNIISJCZZVUBPK-JTQLQIEISA-N 0 3 224.323 3.308 20 0 BGADHN CCC(C)(C)CN[C@H](C)c1ccncc1F ZINC000309526613 168281918 /nfs/dbraw/zinc/28/19/18/168281918.db2.gz CNIISJCZZVUBPK-SNVBAGLBSA-N 0 3 224.323 3.308 20 0 BGADHN Cc1cc([C@@H](C)NC2CCC(C)CC2)no1 ZINC000309527481 178222236 /nfs/dbraw/zinc/22/22/36/178222236.db2.gz CUQNAWVCXDIVFB-CKBZRRDASA-N 0 3 222.332 3.212 20 0 BGADHN Cc1cc([C@H](C)NC2CCC(C)CC2)no1 ZINC000309527483 178245175 /nfs/dbraw/zinc/24/51/75/178245175.db2.gz CUQNAWVCXDIVFB-ZYXZCXLHSA-N 0 3 222.332 3.212 20 0 BGADHN Clc1ncccc1CNC12CCC(CC1)C2 ZINC000309530757 385671306 /nfs/dbraw/zinc/67/13/06/385671306.db2.gz VXSDKBUWCGTGSQ-UHFFFAOYSA-N 0 3 236.746 3.157 20 0 BGADHN CC(C)C[C@@H](CNCCF)c1ccccc1 ZINC000309530765 398086480 /nfs/dbraw/zinc/08/64/80/398086480.db2.gz BSMQUIVUYCMCMR-AWEZNQCLSA-N 0 3 223.335 3.375 20 0 BGADHN CC(C)C[C@H](CNCCF)c1ccccc1 ZINC000309530766 398086515 /nfs/dbraw/zinc/08/65/15/398086515.db2.gz BSMQUIVUYCMCMR-CQSZACIVSA-N 0 3 223.335 3.375 20 0 BGADHN CC(C)(CF)NCCSCc1ccccc1 ZINC000309531410 385668029 /nfs/dbraw/zinc/66/80/29/385668029.db2.gz DKLJWAKCSCUWKM-UHFFFAOYSA-N 0 3 241.375 3.258 20 0 BGADHN CC(C)(C)c1cnc(CNCC2CCC2)s1 ZINC000309532403 385668664 /nfs/dbraw/zinc/66/86/64/385668664.db2.gz CCBNSWPOZPPMJT-UHFFFAOYSA-N 0 3 238.400 3.330 20 0 BGADHN Cc1csc([C@H](C)N[C@H]2CC[C@H]2C2CC2)n1 ZINC000309533060 385669146 /nfs/dbraw/zinc/66/91/46/385669146.db2.gz DOYGMJARPQUWTN-DLOVCJGASA-N 0 3 236.384 3.291 20 0 BGADHN Cc1csc([C@H](C)N[C@@H]2CC[C@@H]2C2CC2)n1 ZINC000309533061 385670146 /nfs/dbraw/zinc/67/01/46/385670146.db2.gz DOYGMJARPQUWTN-MVWJERBFSA-N 0 3 236.384 3.291 20 0 BGADHN Cc1csc([C@H](C)N[C@H]2CC[C@@H]2C2CC2)n1 ZINC000309533063 179796259 /nfs/dbraw/zinc/79/62/59/179796259.db2.gz DOYGMJARPQUWTN-WCQGTBRESA-N 0 3 236.384 3.291 20 0 BGADHN Cc1csc([C@H](C)N[C@@H]2CC[C@H]2C2CC2)n1 ZINC000309533064 385669024 /nfs/dbraw/zinc/66/90/24/385669024.db2.gz DOYGMJARPQUWTN-ZMLRMANQSA-N 0 3 236.384 3.291 20 0 BGADHN Cc1cc([C@H](C)NCC2CC(C)(C)C2)no1 ZINC000309535289 491150346 /nfs/dbraw/zinc/15/03/46/491150346.db2.gz DYEPQNYKVVTWMC-JTQLQIEISA-N 0 3 222.332 3.070 20 0 BGADHN Cc1cc([C@@H](C)NCC2CC(C)(C)C2)no1 ZINC000309535290 491150362 /nfs/dbraw/zinc/15/03/62/491150362.db2.gz DYEPQNYKVVTWMC-SNVBAGLBSA-N 0 3 222.332 3.070 20 0 BGADHN c1nc(CN[C@@H]2CC[C@H]3CCC[C@H]3C2)cs1 ZINC000309536797 385677482 /nfs/dbraw/zinc/67/74/82/385677482.db2.gz FORGBTUSOXIRPN-GRYCIOLGSA-N 0 3 236.384 3.202 20 0 BGADHN c1nc(CN[C@@H]2CC[C@H]3CCC[C@@H]3C2)cs1 ZINC000309536798 385675623 /nfs/dbraw/zinc/67/56/23/385675623.db2.gz FORGBTUSOXIRPN-IJLUTSLNSA-N 0 3 236.384 3.202 20 0 BGADHN c1nc(CN[C@@H]2CC[C@@H]3CCC[C@@H]3C2)cs1 ZINC000309536799 385675865 /nfs/dbraw/zinc/67/58/65/385675865.db2.gz FORGBTUSOXIRPN-QJPTWQEYSA-N 0 3 236.384 3.202 20 0 BGADHN c1nc(CN[C@@H]2CC[C@@H]3CCC[C@H]3C2)cs1 ZINC000309536800 385676029 /nfs/dbraw/zinc/67/60/29/385676029.db2.gz FORGBTUSOXIRPN-SDDRHHMPSA-N 0 3 236.384 3.202 20 0 BGADHN Cn1cccc1CNC(C)(C)c1cccs1 ZINC000309537782 385671980 /nfs/dbraw/zinc/67/19/80/385671980.db2.gz XLLJXFFXDZRQAJ-UHFFFAOYSA-N 0 3 234.368 3.112 20 0 BGADHN Clc1cccc2c1OC[C@H]2NC1CCCC1 ZINC000309537831 491150067 /nfs/dbraw/zinc/15/00/67/491150067.db2.gz XNCYLGGTNFNEFH-GFCCVEGCSA-N 0 3 237.730 3.306 20 0 BGADHN Clc1cccc2c1OC[C@@H]2NC1CCCC1 ZINC000309537833 491150125 /nfs/dbraw/zinc/15/01/25/491150125.db2.gz XNCYLGGTNFNEFH-LBPRGKRZSA-N 0 3 237.730 3.306 20 0 BGADHN CC(C)(C)[C@H](NC1CSC1)c1ccccc1 ZINC000309537920 491150147 /nfs/dbraw/zinc/15/01/47/491150147.db2.gz DCUNVTLWDHZCMR-CYBMUJFWSA-N 0 3 235.396 3.479 20 0 BGADHN CC(C)(C)[C@@H](NC1CSC1)c1ccccc1 ZINC000309537921 491150137 /nfs/dbraw/zinc/15/01/37/491150137.db2.gz DCUNVTLWDHZCMR-ZDUSSCGKSA-N 0 3 235.396 3.479 20 0 BGADHN CC(C)(CF)NCc1ccc(C(F)F)cc1 ZINC000309538679 387818196 /nfs/dbraw/zinc/81/81/96/387818196.db2.gz DIEBCFPDVDYPCY-UHFFFAOYSA-N 0 3 231.261 3.462 20 0 BGADHN CC(C)CCC[C@@H](C)N[C@@H](C)c1ncc[nH]1 ZINC000309540323 491150720 /nfs/dbraw/zinc/15/07/20/491150720.db2.gz DRKKFSOLIHDKKQ-NEPJUHHUSA-N 0 3 223.364 3.275 20 0 BGADHN CC(C)CCC[C@H](C)N[C@H](C)c1ncc[nH]1 ZINC000309540325 491150737 /nfs/dbraw/zinc/15/07/37/491150737.db2.gz DRKKFSOLIHDKKQ-NWDGAFQWSA-N 0 3 223.364 3.275 20 0 BGADHN CC(C)CCC[C@H](C)N[C@@H](C)c1ncc[nH]1 ZINC000309540328 491150815 /nfs/dbraw/zinc/15/08/15/491150815.db2.gz DRKKFSOLIHDKKQ-RYUDHWBXSA-N 0 3 223.364 3.275 20 0 BGADHN CC(C)CCC[C@@H](C)N[C@H](C)c1ncc[nH]1 ZINC000309540330 491150830 /nfs/dbraw/zinc/15/08/30/491150830.db2.gz DRKKFSOLIHDKKQ-VXGBXAGGSA-N 0 3 223.364 3.275 20 0 BGADHN CC(C)=CCN[C@H](c1ccccn1)C(C)C ZINC000309541080 711637101 /nfs/dbraw/zinc/63/71/01/711637101.db2.gz DTTLDSHZABOTRR-AWEZNQCLSA-N 0 3 218.344 3.335 20 0 BGADHN CC(C)=CCN[C@@H](c1ccccn1)C(C)C ZINC000309541081 711636654 /nfs/dbraw/zinc/63/66/54/711636654.db2.gz DTTLDSHZABOTRR-CQSZACIVSA-N 0 3 218.344 3.335 20 0 BGADHN C[C@@H](F)CCN[C@@H](C)c1c(F)cccc1F ZINC000309541621 385674160 /nfs/dbraw/zinc/67/41/60/385674160.db2.gz FZYKKSDBHJQJTN-BDAKNGLRSA-N 0 3 231.261 3.364 20 0 BGADHN C[C@@H](NCC[C@H](C)F)c1c(F)cccc1F ZINC000309541622 385674004 /nfs/dbraw/zinc/67/40/04/385674004.db2.gz FZYKKSDBHJQJTN-DTWKUNHWSA-N 0 3 231.261 3.364 20 0 BGADHN C[C@H](F)CCN[C@@H](C)c1c(F)cccc1F ZINC000309541623 385676541 /nfs/dbraw/zinc/67/65/41/385676541.db2.gz FZYKKSDBHJQJTN-IUCAKERBSA-N 0 3 231.261 3.364 20 0 BGADHN C[C@@H](F)CCN[C@H](C)c1c(F)cccc1F ZINC000309541624 385676945 /nfs/dbraw/zinc/67/69/45/385676945.db2.gz FZYKKSDBHJQJTN-RKDXNWHRSA-N 0 3 231.261 3.364 20 0 BGADHN C[C@H](NCc1nccs1)[C@@H]1CCC[C@@H](C)C1 ZINC000309542351 388456598 /nfs/dbraw/zinc/45/65/98/388456598.db2.gz GRYSKUCDLVKZHJ-GRYCIOLGSA-N 0 3 238.400 3.448 20 0 BGADHN C[C@H](NCc1nccs1)[C@H]1CCC[C@@H](C)C1 ZINC000309542355 388456515 /nfs/dbraw/zinc/45/65/15/388456515.db2.gz GRYSKUCDLVKZHJ-WOPDTQHZSA-N 0 3 238.400 3.448 20 0 BGADHN Cc1cnc([C@H](NCC[C@H](C)F)C2CC2)s1 ZINC000309542671 385684828 /nfs/dbraw/zinc/68/48/28/385684828.db2.gz GFEWZHVJMWXWGJ-GZMMTYOYSA-N 0 3 242.363 3.240 20 0 BGADHN Cc1cnc([C@@H](NCC[C@@H](C)F)C2CC2)s1 ZINC000309542672 385684113 /nfs/dbraw/zinc/68/41/13/385684113.db2.gz GFEWZHVJMWXWGJ-KCJUWKMLSA-N 0 3 242.363 3.240 20 0 BGADHN Cc1cnc([C@@H](NCC[C@H](C)F)C2CC2)s1 ZINC000309542674 385684076 /nfs/dbraw/zinc/68/40/76/385684076.db2.gz GFEWZHVJMWXWGJ-KWQFWETISA-N 0 3 242.363 3.240 20 0 BGADHN Cc1cnc([C@H](NCC[C@@H](C)F)C2CC2)s1 ZINC000309542676 385683575 /nfs/dbraw/zinc/68/35/75/385683575.db2.gz GFEWZHVJMWXWGJ-LDYMZIIASA-N 0 3 242.363 3.240 20 0 BGADHN Cc1cc([C@H](C)NC2(C3CC3)CC2)c(C)o1 ZINC000309544597 350744296 /nfs/dbraw/zinc/74/42/96/350744296.db2.gz GQKNDEADMHNDMK-JTQLQIEISA-N 0 3 219.328 3.490 20 0 BGADHN Cc1cc([C@@H](C)NC2(C3CC3)CC2)c(C)o1 ZINC000309544598 350744339 /nfs/dbraw/zinc/74/43/39/350744339.db2.gz GQKNDEADMHNDMK-SNVBAGLBSA-N 0 3 219.328 3.490 20 0 BGADHN FCCN[C@@H](CC1CCC1)c1ccccc1 ZINC000309546341 385682334 /nfs/dbraw/zinc/68/23/34/385682334.db2.gz DNOTYTYVRQKLJC-AWEZNQCLSA-N 0 3 221.319 3.477 20 0 BGADHN FCCN[C@H](CC1CCC1)c1ccccc1 ZINC000309546343 385682197 /nfs/dbraw/zinc/68/21/97/385682197.db2.gz DNOTYTYVRQKLJC-CQSZACIVSA-N 0 3 221.319 3.477 20 0 BGADHN CC(C)c1cc(CN[C@@H](C)C2CCC2)on1 ZINC000309546943 491151016 /nfs/dbraw/zinc/15/10/16/491151016.db2.gz HBMICGKWZSQAPP-JTQLQIEISA-N 0 3 222.332 3.076 20 0 BGADHN CC(C)c1cc(CN[C@H](C)C2CCC2)on1 ZINC000309546944 491151027 /nfs/dbraw/zinc/15/10/27/491151027.db2.gz HBMICGKWZSQAPP-SNVBAGLBSA-N 0 3 222.332 3.076 20 0 BGADHN Cc1nnsc1CN[C@H](C)CCC(C)(C)C ZINC000309546975 385682071 /nfs/dbraw/zinc/68/20/71/385682071.db2.gz HCDLGAACTAUAFD-SECBINFHSA-N 0 3 241.404 3.151 20 0 BGADHN Cc1nnsc1CN[C@@H](C)CCC(C)(C)C ZINC000309546976 180457729 /nfs/dbraw/zinc/45/77/29/180457729.db2.gz HCDLGAACTAUAFD-VIFPVBQESA-N 0 3 241.404 3.151 20 0 BGADHN CC(C)=CCN[C@H](C)c1ccc(C)nc1C ZINC000309547026 491151062 /nfs/dbraw/zinc/15/10/62/491151062.db2.gz HCZSDQYZRAJBER-GFCCVEGCSA-N 0 3 218.344 3.315 20 0 BGADHN CC(C)=CCN[C@@H](C)c1ccc(C)nc1C ZINC000309547027 491151067 /nfs/dbraw/zinc/15/10/67/491151067.db2.gz HCZSDQYZRAJBER-LBPRGKRZSA-N 0 3 218.344 3.315 20 0 BGADHN C[C@H](CF)NC1CC(c2ccccc2F)C1 ZINC000309547226 385680989 /nfs/dbraw/zinc/68/09/89/385680989.db2.gz HDOOZEWNXQJSEB-KPPDAEKUSA-N 0 3 225.282 3.019 20 0 BGADHN C[C@@H](CF)NC1CC(c2ccccc2F)C1 ZINC000309547228 385681363 /nfs/dbraw/zinc/68/13/63/385681363.db2.gz HDOOZEWNXQJSEB-WHXUTIOJSA-N 0 3 225.282 3.019 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CCCC[C@H]2C)no1 ZINC000309547348 178254043 /nfs/dbraw/zinc/25/40/43/178254043.db2.gz HFRQAPDPRFEQQE-ADEWGFFLSA-N 0 3 222.332 3.212 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2CCCC[C@@H]2C)no1 ZINC000309547349 178257417 /nfs/dbraw/zinc/25/74/17/178257417.db2.gz HFRQAPDPRFEQQE-DLOVCJGASA-N 0 3 222.332 3.212 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2CCCC[C@H]2C)no1 ZINC000309547352 178258773 /nfs/dbraw/zinc/25/87/73/178258773.db2.gz HFRQAPDPRFEQQE-USWWRNFRSA-N 0 3 222.332 3.212 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CCCC[C@@H]2C)no1 ZINC000309547354 178252930 /nfs/dbraw/zinc/25/29/30/178252930.db2.gz HFRQAPDPRFEQQE-ZMLRMANQSA-N 0 3 222.332 3.212 20 0 BGADHN FC1(F)CCC(CNCc2nccs2)CC1 ZINC000309547626 487986562 /nfs/dbraw/zinc/98/65/62/487986562.db2.gz DVGXIQFXCSIJDL-UHFFFAOYSA-N 0 3 246.326 3.058 20 0 BGADHN Fc1ccccc1CN[C@H]1CCC(F)(F)C1 ZINC000309548195 491151069 /nfs/dbraw/zinc/15/10/69/491151069.db2.gz JECLUEXUSFOVPD-JTQLQIEISA-N 0 3 229.245 3.103 20 0 BGADHN Fc1ccccc1CN[C@@H]1CCC(F)(F)C1 ZINC000309548196 491151093 /nfs/dbraw/zinc/15/10/93/491151093.db2.gz JECLUEXUSFOVPD-SNVBAGLBSA-N 0 3 229.245 3.103 20 0 BGADHN Cc1cnc([C@@H](C)NC2CC(C(F)F)C2)s1 ZINC000309549261 633950754 /nfs/dbraw/zinc/95/07/54/633950754.db2.gz HPXSCHZVSOLDIG-AFPNSQJFSA-N 0 3 246.326 3.146 20 0 BGADHN Cc1cnc([C@H](C)NC2CC(C(F)F)C2)s1 ZINC000309549262 633195995 /nfs/dbraw/zinc/19/59/95/633195995.db2.gz HPXSCHZVSOLDIG-UEJVZZJDSA-N 0 3 246.326 3.146 20 0 BGADHN C[C@@H](N[C@H]1COc2c1cccc2Cl)C1CC1 ZINC000309549280 491151116 /nfs/dbraw/zinc/15/11/16/491151116.db2.gz HQKOWCCYFVNHCN-PELKAZGASA-N 0 3 237.730 3.162 20 0 BGADHN C[C@@H](N[C@@H]1COc2c1cccc2Cl)C1CC1 ZINC000309549281 491151064 /nfs/dbraw/zinc/15/10/64/491151064.db2.gz HQKOWCCYFVNHCN-PRHODGIISA-N 0 3 237.730 3.162 20 0 BGADHN C[C@H](N[C@@H]1COc2c1cccc2Cl)C1CC1 ZINC000309549282 491151119 /nfs/dbraw/zinc/15/11/19/491151119.db2.gz HQKOWCCYFVNHCN-QPUJVOFHSA-N 0 3 237.730 3.162 20 0 BGADHN C[C@H](N[C@H]1COc2c1cccc2Cl)C1CC1 ZINC000309549283 491151077 /nfs/dbraw/zinc/15/10/77/491151077.db2.gz HQKOWCCYFVNHCN-UFBFGSQYSA-N 0 3 237.730 3.162 20 0 BGADHN C[C@H](N[C@H]1CC12CCCC2)c1ccccn1 ZINC000309549751 385688731 /nfs/dbraw/zinc/68/87/31/385688731.db2.gz HUPHGUWXYDSKHX-AAEUAGOBSA-N 0 3 216.328 3.065 20 0 BGADHN C[C@@H](N[C@@H]1CC12CCCC2)c1ccccn1 ZINC000309549753 385689264 /nfs/dbraw/zinc/68/92/64/385689264.db2.gz HUPHGUWXYDSKHX-DGCLKSJQSA-N 0 3 216.328 3.065 20 0 BGADHN C[C@H](N[C@@H]1CC12CCCC2)c1ccccn1 ZINC000309549755 385689436 /nfs/dbraw/zinc/68/94/36/385689436.db2.gz HUPHGUWXYDSKHX-WCQYABFASA-N 0 3 216.328 3.065 20 0 BGADHN C[C@@H](N[C@H]1CC12CCCC2)c1ccccn1 ZINC000309549756 385688266 /nfs/dbraw/zinc/68/82/66/385688266.db2.gz HUPHGUWXYDSKHX-YPMHNXCESA-N 0 3 216.328 3.065 20 0 BGADHN Cc1c[nH]nc1CN[C@H](C)CCC(C)(C)C ZINC000309550177 385688290 /nfs/dbraw/zinc/68/82/90/385688290.db2.gz HXVWUVAUNFZJLM-LLVKDONJSA-N 0 3 223.364 3.023 20 0 BGADHN Cc1c[nH]nc1CN[C@@H](C)CCC(C)(C)C ZINC000309550179 385689852 /nfs/dbraw/zinc/68/98/52/385689852.db2.gz HXVWUVAUNFZJLM-NSHDSACASA-N 0 3 223.364 3.023 20 0 BGADHN C[C@@H](N[C@@H]1CSC1(C)C)c1ccc(F)cc1 ZINC000309550262 385688196 /nfs/dbraw/zinc/68/81/96/385688196.db2.gz IBAGAJBBTJBFSX-BXKDBHETSA-N 0 3 239.359 3.370 20 0 BGADHN C[C@H](N[C@H]1CSC1(C)C)c1ccc(F)cc1 ZINC000309550263 385689602 /nfs/dbraw/zinc/68/96/02/385689602.db2.gz IBAGAJBBTJBFSX-CABZTGNLSA-N 0 3 239.359 3.370 20 0 BGADHN C[C@H](N[C@@H]1CSC1(C)C)c1ccc(F)cc1 ZINC000309550264 385688395 /nfs/dbraw/zinc/68/83/95/385688395.db2.gz IBAGAJBBTJBFSX-JOYOIKCWSA-N 0 3 239.359 3.370 20 0 BGADHN C[C@@H](N[C@H]1CSC1(C)C)c1ccc(F)cc1 ZINC000309550265 385690186 /nfs/dbraw/zinc/69/01/86/385690186.db2.gz IBAGAJBBTJBFSX-SKDRFNHKSA-N 0 3 239.359 3.370 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2CC[C@H](F)C2)c(C)o1 ZINC000309550637 178260298 /nfs/dbraw/zinc/26/02/98/178260298.db2.gz IDTZHXYPINAHJJ-DLOVCJGASA-N 0 3 225.307 3.438 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CC[C@@H](F)C2)c(C)o1 ZINC000309550639 178256046 /nfs/dbraw/zinc/25/60/46/178256046.db2.gz IDTZHXYPINAHJJ-MVWJERBFSA-N 0 3 225.307 3.438 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2CC[C@@H](F)C2)c(C)o1 ZINC000309550641 178256964 /nfs/dbraw/zinc/25/69/64/178256964.db2.gz IDTZHXYPINAHJJ-WCQGTBRESA-N 0 3 225.307 3.438 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CC[C@H](F)C2)c(C)o1 ZINC000309550838 178256231 /nfs/dbraw/zinc/25/62/31/178256231.db2.gz IDTZHXYPINAHJJ-ZMLRMANQSA-N 0 3 225.307 3.438 20 0 BGADHN C[C@H](NCC1CCC(C)CC1)c1ccon1 ZINC000309550970 168156775 /nfs/dbraw/zinc/15/67/75/168156775.db2.gz IGEWWMONNWRCKJ-CXQJBGSLSA-N 0 3 222.332 3.152 20 0 BGADHN C[C@@H](NCC1CCC(C)CC1)c1ccon1 ZINC000309550971 168156541 /nfs/dbraw/zinc/15/65/41/168156541.db2.gz IGEWWMONNWRCKJ-MOENNCHZSA-N 0 3 222.332 3.152 20 0 BGADHN C[C@H](CF)N[C@@H]1C[C@@H](c2ccccc2)[C@H]1C ZINC000309551582 388456838 /nfs/dbraw/zinc/45/68/38/388456838.db2.gz IJPMNVVCBWLFTN-HBJVGIJOSA-N 0 3 221.319 3.126 20 0 BGADHN C[C@H](CF)N[C@@H]1C[C@H](c2ccccc2)[C@H]1C ZINC000309551583 388456910 /nfs/dbraw/zinc/45/69/10/388456910.db2.gz IJPMNVVCBWLFTN-MHDGFBEUSA-N 0 3 221.319 3.126 20 0 BGADHN C[C@H](CF)N[C@@H]1C[C@H](c2ccccc2)[C@@H]1C ZINC000309551584 534006928 /nfs/dbraw/zinc/00/69/28/534006928.db2.gz IJPMNVVCBWLFTN-UVLXDEKHSA-N 0 3 221.319 3.126 20 0 BGADHN C[C@H](CF)N[C@@H]1C[C@@H](c2ccccc2)[C@@H]1C ZINC000309551585 388456537 /nfs/dbraw/zinc/45/65/37/388456537.db2.gz IJPMNVVCBWLFTN-ZMJPVWNMSA-N 0 3 221.319 3.126 20 0 BGADHN FC1(F)CC[C@@H](CNCc2ccc(Cl)o2)C1 ZINC000309552385 385684922 /nfs/dbraw/zinc/68/49/22/385684922.db2.gz GKRRPYSULORZSV-MRVPVSSYSA-N 0 3 249.688 3.458 20 0 BGADHN FC1(F)CC[C@H](CNCc2ccc(Cl)o2)C1 ZINC000309552388 385684307 /nfs/dbraw/zinc/68/43/07/385684307.db2.gz GKRRPYSULORZSV-QMMMGPOBSA-N 0 3 249.688 3.458 20 0 BGADHN Cc1cscc1CNC1CC(OC(C)C)C1 ZINC000309553082 385686694 /nfs/dbraw/zinc/68/66/94/385686694.db2.gz IWIHKRSMDUQVCB-UHFFFAOYSA-N 0 3 239.384 3.102 20 0 BGADHN C[C@@H](N[C@H](C)C1CCC1)c1ccncc1F ZINC000309554060 385686228 /nfs/dbraw/zinc/68/62/28/385686228.db2.gz JGENSPFRERDAFX-NXEZZACHSA-N 0 3 222.307 3.060 20 0 BGADHN C[C@H](N[C@@H](C)C1CCC1)c1ccncc1F ZINC000309554061 385685846 /nfs/dbraw/zinc/68/58/46/385685846.db2.gz JGENSPFRERDAFX-UWVGGRQHSA-N 0 3 222.307 3.060 20 0 BGADHN C[C@@H](N[C@@H](C)C1CCC1)c1ccncc1F ZINC000309554062 385686023 /nfs/dbraw/zinc/68/60/23/385686023.db2.gz JGENSPFRERDAFX-VHSXEESVSA-N 0 3 222.307 3.060 20 0 BGADHN C[C@@H](N[C@@H](C)c1ccncc1F)C1CCC1 ZINC000309554063 385686578 /nfs/dbraw/zinc/68/65/78/385686578.db2.gz JGENSPFRERDAFX-ZJUUUORDSA-N 0 3 222.307 3.060 20 0 BGADHN C[C@H](CC1CCCC1)N[C@H](C)c1ccon1 ZINC000309554992 385686717 /nfs/dbraw/zinc/68/67/17/385686717.db2.gz JKPBCUWFOIFFCU-GHMZBOCLSA-N 0 3 222.332 3.294 20 0 BGADHN C[C@H](CC1CCCC1)N[C@@H](C)c1ccon1 ZINC000309554994 385685501 /nfs/dbraw/zinc/68/55/01/385685501.db2.gz JKPBCUWFOIFFCU-MNOVXSKESA-N 0 3 222.332 3.294 20 0 BGADHN C[C@@H](CC1CCCC1)N[C@@H](C)c1ccon1 ZINC000309554996 384504425 /nfs/dbraw/zinc/50/44/25/384504425.db2.gz JKPBCUWFOIFFCU-QWRGUYRKSA-N 0 3 222.332 3.294 20 0 BGADHN Fc1cccc(CN[C@@H]2CCC(F)(F)C2)c1 ZINC000309554997 491151353 /nfs/dbraw/zinc/15/13/53/491151353.db2.gz MBOJWTAABUCNKD-LLVKDONJSA-N 0 3 229.245 3.103 20 0 BGADHN C[C@@H](N[C@@H](C)CC1CCCC1)c1ccon1 ZINC000309554998 385685640 /nfs/dbraw/zinc/68/56/40/385685640.db2.gz JKPBCUWFOIFFCU-WDEREUQCSA-N 0 3 222.332 3.294 20 0 BGADHN Fc1cccc(CN[C@H]2CCC(F)(F)C2)c1 ZINC000309554999 491151378 /nfs/dbraw/zinc/15/13/78/491151378.db2.gz MBOJWTAABUCNKD-NSHDSACASA-N 0 3 229.245 3.103 20 0 BGADHN Fc1cc(Cl)ccc1CN[C@H]1[C@@H]2CCC[C@@H]21 ZINC000309556506 487986036 /nfs/dbraw/zinc/98/60/36/487986036.db2.gz HVVWNQHDEBCPPA-PJXYFTJBSA-N 0 3 239.721 3.367 20 0 BGADHN FC1(CNCc2cc3ccccc3s2)CC1 ZINC000309557440 370229126 /nfs/dbraw/zinc/22/91/26/370229126.db2.gz IDJMSZAPDBKSQN-UHFFFAOYSA-N 0 3 235.327 3.493 20 0 BGADHN Clc1cccc2c1[C@H](NC1CCCC1)CO2 ZINC000309558296 388457135 /nfs/dbraw/zinc/45/71/35/388457135.db2.gz IMJCCUDARWOUOW-LLVKDONJSA-N 0 3 237.730 3.306 20 0 BGADHN Clc1cccc2c1[C@@H](NC1CCCC1)CO2 ZINC000309558299 388457384 /nfs/dbraw/zinc/45/73/84/388457384.db2.gz IMJCCUDARWOUOW-NSHDSACASA-N 0 3 237.730 3.306 20 0 BGADHN FCCN[C@@H](c1ccccc1)C1CCCC1 ZINC000309558871 259316566 /nfs/dbraw/zinc/31/65/66/259316566.db2.gz IQPUIYQJRCKOPG-AWEZNQCLSA-N 0 3 221.319 3.477 20 0 BGADHN FCCN[C@H](c1ccccc1)C1CCCC1 ZINC000309558872 259316554 /nfs/dbraw/zinc/31/65/54/259316554.db2.gz IQPUIYQJRCKOPG-CQSZACIVSA-N 0 3 221.319 3.477 20 0 BGADHN C[C@@H](NC1(C2CC2)CC1)c1ccc(Cl)cn1 ZINC000309559158 326159089 /nfs/dbraw/zinc/15/90/89/326159089.db2.gz KLVDMMHRFRQOFL-SECBINFHSA-N 0 3 236.746 3.328 20 0 BGADHN C[C@H](NC1(C2CC2)CC1)c1ccc(Cl)cn1 ZINC000309559159 326159011 /nfs/dbraw/zinc/15/90/11/326159011.db2.gz KLVDMMHRFRQOFL-VIFPVBQESA-N 0 3 236.746 3.328 20 0 BGADHN Cc1noc(C)c1[C@H](C)N[C@H](C)C1CCC1 ZINC000309560601 491151556 /nfs/dbraw/zinc/15/15/56/491151556.db2.gz KXUSOOQCAWEWNK-BDAKNGLRSA-N 0 3 222.332 3.131 20 0 BGADHN Cc1noc(C)c1[C@@H](C)N[C@@H](C)C1CCC1 ZINC000309560602 491151542 /nfs/dbraw/zinc/15/15/42/491151542.db2.gz KXUSOOQCAWEWNK-DTWKUNHWSA-N 0 3 222.332 3.131 20 0 BGADHN Cc1noc(C)c1[C@H](C)N[C@@H](C)C1CCC1 ZINC000309560603 491151523 /nfs/dbraw/zinc/15/15/23/491151523.db2.gz KXUSOOQCAWEWNK-IUCAKERBSA-N 0 3 222.332 3.131 20 0 BGADHN Cc1noc(C)c1[C@@H](C)N[C@H](C)C1CCC1 ZINC000309560605 491151513 /nfs/dbraw/zinc/15/15/13/491151513.db2.gz KXUSOOQCAWEWNK-RKDXNWHRSA-N 0 3 222.332 3.131 20 0 BGADHN CC(C)c1csc(CN[C@@H]2C[C@H](C)[C@@H]2C)n1 ZINC000309560695 385691999 /nfs/dbraw/zinc/69/19/99/385691999.db2.gz KYXDRQODKFSICK-GARJFASQSA-N 0 3 238.400 3.401 20 0 BGADHN CC(C)c1csc(CN[C@@H]2C[C@@H](C)[C@H]2C)n1 ZINC000309560697 385691348 /nfs/dbraw/zinc/69/13/48/385691348.db2.gz KYXDRQODKFSICK-GMTAPVOTSA-N 0 3 238.400 3.401 20 0 BGADHN CC(C)c1csc(CN[C@@H]2C[C@H](C)[C@H]2C)n1 ZINC000309560698 385691445 /nfs/dbraw/zinc/69/14/45/385691445.db2.gz KYXDRQODKFSICK-HBNTYKKESA-N 0 3 238.400 3.401 20 0 BGADHN CC(C)c1csc(CN[C@@H]2C[C@@H](C)[C@@H]2C)n1 ZINC000309560699 385690798 /nfs/dbraw/zinc/69/07/98/385690798.db2.gz KYXDRQODKFSICK-OUAUKWLOSA-N 0 3 238.400 3.401 20 0 BGADHN Fc1ccc2nc(CNC3CCC3)sc2c1 ZINC000309561718 385698603 /nfs/dbraw/zinc/69/86/03/385698603.db2.gz JOVPFVAAKMQOSC-UHFFFAOYSA-N 0 3 236.315 3.078 20 0 BGADHN C[C@@H](F)CCN[C@@H](C)c1cc(F)ccc1F ZINC000309564590 385695411 /nfs/dbraw/zinc/69/54/11/385695411.db2.gz LXSMGYPMEIZWNU-BDAKNGLRSA-N 0 3 231.261 3.364 20 0 BGADHN C[C@@H](NCC[C@H](C)F)c1cc(F)ccc1F ZINC000309564591 385694186 /nfs/dbraw/zinc/69/41/86/385694186.db2.gz LXSMGYPMEIZWNU-DTWKUNHWSA-N 0 3 231.261 3.364 20 0 BGADHN C[C@H](F)CCN[C@@H](C)c1cc(F)ccc1F ZINC000309564592 385695718 /nfs/dbraw/zinc/69/57/18/385695718.db2.gz LXSMGYPMEIZWNU-IUCAKERBSA-N 0 3 231.261 3.364 20 0 BGADHN C[C@@H](F)CCN[C@H](C)c1cc(F)ccc1F ZINC000309564593 385694251 /nfs/dbraw/zinc/69/42/51/385694251.db2.gz LXSMGYPMEIZWNU-RKDXNWHRSA-N 0 3 231.261 3.364 20 0 BGADHN FC1(F)CCC[C@@H](CNCc2cscn2)C1 ZINC000309565253 385695608 /nfs/dbraw/zinc/69/56/08/385695608.db2.gz KQCWVKLZBAWYJY-SECBINFHSA-N 0 3 246.326 3.058 20 0 BGADHN FC1(F)CCC[C@H](CNCc2cscn2)C1 ZINC000309565256 385695261 /nfs/dbraw/zinc/69/52/61/385695261.db2.gz KQCWVKLZBAWYJY-VIFPVBQESA-N 0 3 246.326 3.058 20 0 BGADHN C[C@@H](NC1CCC(F)(F)CC1)c1nccs1 ZINC000309565410 385695268 /nfs/dbraw/zinc/69/52/68/385695268.db2.gz MCGNPGGPCBXEIM-MRVPVSSYSA-N 0 3 246.326 3.372 20 0 BGADHN C[C@H](NC1CCC(F)(F)CC1)c1nccs1 ZINC000309565411 384517976 /nfs/dbraw/zinc/51/79/76/384517976.db2.gz MCGNPGGPCBXEIM-QMMMGPOBSA-N 0 3 246.326 3.372 20 0 BGADHN C[C@H](N[C@@H]1CC[C@H](C)[C@@H](C)C1)c1ccon1 ZINC000309565465 385695878 /nfs/dbraw/zinc/69/58/78/385695878.db2.gz MCXYGSNGVZPVFH-FIQHERPVSA-N 0 3 222.332 3.150 20 0 BGADHN C[C@H](N[C@@H]1CC[C@@H](C)[C@@H](C)C1)c1ccon1 ZINC000309565471 385696004 /nfs/dbraw/zinc/69/60/04/385696004.db2.gz MCXYGSNGVZPVFH-NOOOWODRSA-N 0 3 222.332 3.150 20 0 BGADHN C[C@H](N[C@@H]1CC[C@H](C)[C@H](C)C1)c1ccon1 ZINC000309565475 385695157 /nfs/dbraw/zinc/69/51/57/385695157.db2.gz MCXYGSNGVZPVFH-WHOHXGKFSA-N 0 3 222.332 3.150 20 0 BGADHN C[C@H](N[C@@H]1CC[C@@H](C)[C@H](C)C1)c1ccon1 ZINC000309565480 385697361 /nfs/dbraw/zinc/69/73/61/385697361.db2.gz MCXYGSNGVZPVFH-WISYIIOYSA-N 0 3 222.332 3.150 20 0 BGADHN C[C@@H](F)CCN[C@@H](C)c1cccc(F)c1F ZINC000309566856 385697240 /nfs/dbraw/zinc/69/72/40/385697240.db2.gz MLGHSCIKKRQNKH-BDAKNGLRSA-N 0 3 231.261 3.364 20 0 BGADHN C[C@@H](NCC[C@H](C)F)c1cccc(F)c1F ZINC000309566858 176741729 /nfs/dbraw/zinc/74/17/29/176741729.db2.gz MLGHSCIKKRQNKH-DTWKUNHWSA-N 0 3 231.261 3.364 20 0 BGADHN C[C@H](F)CCN[C@@H](C)c1cccc(F)c1F ZINC000309566859 176741194 /nfs/dbraw/zinc/74/11/94/176741194.db2.gz MLGHSCIKKRQNKH-IUCAKERBSA-N 0 3 231.261 3.364 20 0 BGADHN C[C@@H](F)CCN[C@H](C)c1cccc(F)c1F ZINC000309566860 385697582 /nfs/dbraw/zinc/69/75/82/385697582.db2.gz MLGHSCIKKRQNKH-RKDXNWHRSA-N 0 3 231.261 3.364 20 0 BGADHN C[C@H](F)CCNC1(c2nccs2)CCCC1 ZINC000309567326 385697391 /nfs/dbraw/zinc/69/73/91/385697391.db2.gz MNZXLTMBDWNEAB-JTQLQIEISA-N 0 3 242.363 3.250 20 0 BGADHN C[C@@H](F)CCNC1(c2nccs2)CCCC1 ZINC000309567328 384521488 /nfs/dbraw/zinc/52/14/88/384521488.db2.gz MNZXLTMBDWNEAB-SNVBAGLBSA-N 0 3 242.363 3.250 20 0 BGADHN Cc1cc([C@H](C)NC[C@@H]2CC[C@@H](C)C2)no1 ZINC000309569032 178250571 /nfs/dbraw/zinc/25/05/71/178250571.db2.gz NBVUQWAAAMNCGJ-ADEWGFFLSA-N 0 3 222.332 3.070 20 0 BGADHN Cc1cc([C@H](C)NC[C@H]2CC[C@H](C)C2)no1 ZINC000309569033 178249766 /nfs/dbraw/zinc/24/97/66/178249766.db2.gz NBVUQWAAAMNCGJ-DLOVCJGASA-N 0 3 222.332 3.070 20 0 BGADHN Cc1cc([C@H](C)NC[C@H]2CC[C@@H](C)C2)no1 ZINC000309569034 178250469 /nfs/dbraw/zinc/25/04/69/178250469.db2.gz NBVUQWAAAMNCGJ-USWWRNFRSA-N 0 3 222.332 3.070 20 0 BGADHN Cc1cc([C@H](C)NC[C@@H]2CC[C@H](C)C2)no1 ZINC000309569035 178250920 /nfs/dbraw/zinc/25/09/20/178250920.db2.gz NBVUQWAAAMNCGJ-ZMLRMANQSA-N 0 3 222.332 3.070 20 0 BGADHN FC1(CNCc2csc3ccccc23)CC1 ZINC000309570107 326159776 /nfs/dbraw/zinc/15/97/76/326159776.db2.gz MNQYJWUZSLDPAP-UHFFFAOYSA-N 0 3 235.327 3.493 20 0 BGADHN C[C@@H](NC1CSC1)c1cc2ccccc2o1 ZINC000309571463 491151867 /nfs/dbraw/zinc/15/18/67/491151867.db2.gz NSXGWERKXRUTMY-SECBINFHSA-N 0 3 233.336 3.199 20 0 BGADHN C[C@H](NC1CSC1)c1cc2ccccc2o1 ZINC000309571464 491151884 /nfs/dbraw/zinc/15/18/84/491151884.db2.gz NSXGWERKXRUTMY-VIFPVBQESA-N 0 3 233.336 3.199 20 0 BGADHN FC1(CNCCCc2cccc(Cl)c2)CC1 ZINC000309572011 387831769 /nfs/dbraw/zinc/83/17/69/387831769.db2.gz NETWKMDYPZAETN-UHFFFAOYSA-N 0 3 241.737 3.364 20 0 BGADHN Cc1csc([C@@H](C)N[C@@H]2CCC23CCC3)n1 ZINC000309572194 385702732 /nfs/dbraw/zinc/70/27/32/385702732.db2.gz NWXBKKWZTNEGDN-GHMZBOCLSA-N 0 3 236.384 3.435 20 0 BGADHN Cc1csc([C@@H](C)N[C@H]2CCC23CCC3)n1 ZINC000309572195 179793965 /nfs/dbraw/zinc/79/39/65/179793965.db2.gz NWXBKKWZTNEGDN-MNOVXSKESA-N 0 3 236.384 3.435 20 0 BGADHN Cc1csc([C@H](C)N[C@H]2CCC23CCC3)n1 ZINC000309572196 179796384 /nfs/dbraw/zinc/79/63/84/179796384.db2.gz NWXBKKWZTNEGDN-QWRGUYRKSA-N 0 3 236.384 3.435 20 0 BGADHN Cc1csc([C@H](C)N[C@@H]2CCC23CCC3)n1 ZINC000309572197 385703622 /nfs/dbraw/zinc/70/36/22/385703622.db2.gz NWXBKKWZTNEGDN-WDEREUQCSA-N 0 3 236.384 3.435 20 0 BGADHN C[C@@H](F)CCN[C@@H](C)c1ccc(F)c(F)c1 ZINC000309572836 176852164 /nfs/dbraw/zinc/85/21/64/176852164.db2.gz OBVZTQWZMKFYKW-BDAKNGLRSA-N 0 3 231.261 3.364 20 0 BGADHN C[C@@H](NCC[C@H](C)F)c1ccc(F)c(F)c1 ZINC000309572839 385703542 /nfs/dbraw/zinc/70/35/42/385703542.db2.gz OBVZTQWZMKFYKW-DTWKUNHWSA-N 0 3 231.261 3.364 20 0 BGADHN C[C@H](F)CCN[C@@H](C)c1ccc(F)c(F)c1 ZINC000309572841 384531021 /nfs/dbraw/zinc/53/10/21/384531021.db2.gz OBVZTQWZMKFYKW-IUCAKERBSA-N 0 3 231.261 3.364 20 0 BGADHN C[C@@H](F)CCN[C@H](C)c1ccc(F)c(F)c1 ZINC000309572843 385703226 /nfs/dbraw/zinc/70/32/26/385703226.db2.gz OBVZTQWZMKFYKW-RKDXNWHRSA-N 0 3 231.261 3.364 20 0 BGADHN Fc1c(Cl)cccc1CN[C@@H]1CC[C@@H](F)C1 ZINC000309574370 385707034 /nfs/dbraw/zinc/70/70/34/385707034.db2.gz OHCDWAHMMDXPIP-NXEZZACHSA-N 0 3 245.700 3.459 20 0 BGADHN Fc1c(Cl)cccc1CN[C@H]1CC[C@H](F)C1 ZINC000309574371 385706273 /nfs/dbraw/zinc/70/62/73/385706273.db2.gz OHCDWAHMMDXPIP-UWVGGRQHSA-N 0 3 245.700 3.459 20 0 BGADHN Fc1c(Cl)cccc1CN[C@@H]1CC[C@H](F)C1 ZINC000309574372 385706871 /nfs/dbraw/zinc/70/68/71/385706871.db2.gz OHCDWAHMMDXPIP-VHSXEESVSA-N 0 3 245.700 3.459 20 0 BGADHN Fc1c(Cl)cccc1CN[C@H]1CC[C@@H](F)C1 ZINC000309574373 385707241 /nfs/dbraw/zinc/70/72/41/385707241.db2.gz OHCDWAHMMDXPIP-ZJUUUORDSA-N 0 3 245.700 3.459 20 0 BGADHN Cc1cc([C@H](C)NC[C@H]2CCCS2)oc1C ZINC000309575590 178250213 /nfs/dbraw/zinc/25/02/13/178250213.db2.gz OTWAEEKUBMFSSM-CMPLNLGQSA-N 0 3 239.384 3.443 20 0 BGADHN Cc1cc([C@H](C)NC[C@@H]2CCCS2)oc1C ZINC000309575592 178249311 /nfs/dbraw/zinc/24/93/11/178249311.db2.gz OTWAEEKUBMFSSM-JQWIXIFHSA-N 0 3 239.384 3.443 20 0 BGADHN Cc1cc([C@@H](C)NC[C@@H]2CCCS2)oc1C ZINC000309575594 178226749 /nfs/dbraw/zinc/22/67/49/178226749.db2.gz OTWAEEKUBMFSSM-PWSUYJOCSA-N 0 3 239.384 3.443 20 0 BGADHN Cc1cc([C@@H](C)NC[C@H]2CCCS2)oc1C ZINC000309575596 178229860 /nfs/dbraw/zinc/22/98/60/178229860.db2.gz OTWAEEKUBMFSSM-ZYHUDNBSSA-N 0 3 239.384 3.443 20 0 BGADHN C[C@@H](N[C@@H]1CSC1(C)C)c1ccccc1F ZINC000309578264 385711201 /nfs/dbraw/zinc/71/12/01/385711201.db2.gz PPEYFDGYSFMETF-BXKDBHETSA-N 0 3 239.359 3.370 20 0 BGADHN C[C@H](N[C@H]1CSC1(C)C)c1ccccc1F ZINC000309578265 385711687 /nfs/dbraw/zinc/71/16/87/385711687.db2.gz PPEYFDGYSFMETF-CABZTGNLSA-N 0 3 239.359 3.370 20 0 BGADHN C[C@H](N[C@@H]1CSC1(C)C)c1ccccc1F ZINC000309578266 385711488 /nfs/dbraw/zinc/71/14/88/385711488.db2.gz PPEYFDGYSFMETF-JOYOIKCWSA-N 0 3 239.359 3.370 20 0 BGADHN C[C@@H](N[C@H]1CSC1(C)C)c1ccccc1F ZINC000309578267 385712163 /nfs/dbraw/zinc/71/21/63/385712163.db2.gz PPEYFDGYSFMETF-SKDRFNHKSA-N 0 3 239.359 3.370 20 0 BGADHN F[C@@H]1CC[C@@H](NCc2cnc(C3CC3)s2)C1 ZINC000309578434 491152067 /nfs/dbraw/zinc/15/20/67/491152067.db2.gz PMXSBVFZWDYAGJ-NXEZZACHSA-N 0 3 240.347 3.001 20 0 BGADHN F[C@H]1CC[C@H](NCc2cnc(C3CC3)s2)C1 ZINC000309578435 491152043 /nfs/dbraw/zinc/15/20/43/491152043.db2.gz PMXSBVFZWDYAGJ-UWVGGRQHSA-N 0 3 240.347 3.001 20 0 BGADHN F[C@H]1CC[C@@H](NCc2cnc(C3CC3)s2)C1 ZINC000309578436 491152109 /nfs/dbraw/zinc/15/21/09/491152109.db2.gz PMXSBVFZWDYAGJ-VHSXEESVSA-N 0 3 240.347 3.001 20 0 BGADHN F[C@@H]1CC[C@H](NCc2cnc(C3CC3)s2)C1 ZINC000309578437 491152125 /nfs/dbraw/zinc/15/21/25/491152125.db2.gz PMXSBVFZWDYAGJ-ZJUUUORDSA-N 0 3 240.347 3.001 20 0 BGADHN C[C@@H](N[C@H](C)C1CCCCC1)c1ccon1 ZINC000309579225 384550395 /nfs/dbraw/zinc/55/03/95/384550395.db2.gz PWFCMZZTDAXDQQ-GHMZBOCLSA-N 0 3 222.332 3.294 20 0 BGADHN C[C@@H](N[C@@H](C)c1ccon1)C1CCCCC1 ZINC000309579227 385710405 /nfs/dbraw/zinc/71/04/05/385710405.db2.gz PWFCMZZTDAXDQQ-MNOVXSKESA-N 0 3 222.332 3.294 20 0 BGADHN C[C@H](N[C@@H](C)C1CCCCC1)c1ccon1 ZINC000309579229 385710704 /nfs/dbraw/zinc/71/07/04/385710704.db2.gz PWFCMZZTDAXDQQ-QWRGUYRKSA-N 0 3 222.332 3.294 20 0 BGADHN C[C@@H](N[C@@H](C)C1CCCCC1)c1ccon1 ZINC000309579231 385711071 /nfs/dbraw/zinc/71/10/71/385711071.db2.gz PWFCMZZTDAXDQQ-WDEREUQCSA-N 0 3 222.332 3.294 20 0 BGADHN CC[C@@H]1CCC[C@@H](N[C@H](C)c2ccon2)C1 ZINC000309580307 344402298 /nfs/dbraw/zinc/40/22/98/344402298.db2.gz QDBUYDAIFOYXQF-IJLUTSLNSA-N 0 3 222.332 3.294 20 0 BGADHN CC[C@@H]1CCC[C@@H](N[C@@H](C)c2ccon2)C1 ZINC000309580309 187309157 /nfs/dbraw/zinc/30/91/57/187309157.db2.gz QDBUYDAIFOYXQF-QJPTWQEYSA-N 0 3 222.332 3.294 20 0 BGADHN CC[C@@H]1CCC[C@H](N[C@@H](C)c2ccon2)C1 ZINC000309580311 347106317 /nfs/dbraw/zinc/10/63/17/347106317.db2.gz QDBUYDAIFOYXQF-TUAOUCFPSA-N 0 3 222.332 3.294 20 0 BGADHN CC[C@@H]1CCC[C@H](N[C@H](C)c2ccon2)C1 ZINC000309580313 347106405 /nfs/dbraw/zinc/10/64/05/347106405.db2.gz QDBUYDAIFOYXQF-UTUOFQBUSA-N 0 3 222.332 3.294 20 0 BGADHN C[C@@H](NC1CC(C)(C)C1)c1cncc(F)c1 ZINC000309580339 385704242 /nfs/dbraw/zinc/70/42/42/385704242.db2.gz QDNCHHQNDIHPRY-SECBINFHSA-N 0 3 222.307 3.060 20 0 BGADHN C[C@H](NC1CC(C)(C)C1)c1cncc(F)c1 ZINC000309580341 384549538 /nfs/dbraw/zinc/54/95/38/384549538.db2.gz QDNCHHQNDIHPRY-VIFPVBQESA-N 0 3 222.307 3.060 20 0 BGADHN Cc1cc([C@@H](C)N[C@@H]2CSC2(C)C)oc1C ZINC000309580731 178230816 /nfs/dbraw/zinc/23/08/16/178230816.db2.gz QFSBBNCJFQRCJT-BXKDBHETSA-N 0 3 239.384 3.441 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2CSC2(C)C)oc1C ZINC000309580734 178259566 /nfs/dbraw/zinc/25/95/66/178259566.db2.gz QFSBBNCJFQRCJT-CABZTGNLSA-N 0 3 239.384 3.441 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CSC2(C)C)oc1C ZINC000309580737 178256103 /nfs/dbraw/zinc/25/61/03/178256103.db2.gz QFSBBNCJFQRCJT-JOYOIKCWSA-N 0 3 239.384 3.441 20 0 BGADHN Cc1cc([C@@H](C)N[C@H]2CSC2(C)C)oc1C ZINC000309580739 178233039 /nfs/dbraw/zinc/23/30/39/178233039.db2.gz QFSBBNCJFQRCJT-SKDRFNHKSA-N 0 3 239.384 3.441 20 0 BGADHN Cc1nc(C(C)(C)NCC[C@@H](C)F)sc1C ZINC000309582790 385715198 /nfs/dbraw/zinc/71/51/98/385715198.db2.gz QWKFFJUYLNZHSO-MRVPVSSYSA-N 0 3 244.379 3.333 20 0 BGADHN Cc1nc(C(C)(C)NCC[C@H](C)F)sc1C ZINC000309582791 385715072 /nfs/dbraw/zinc/71/50/72/385715072.db2.gz QWKFFJUYLNZHSO-QMMMGPOBSA-N 0 3 244.379 3.333 20 0 BGADHN FC1(CNCCCc2ccc(Cl)cc2)CC1 ZINC000309583357 326162141 /nfs/dbraw/zinc/16/21/41/326162141.db2.gz REZCFNJNRADNDH-UHFFFAOYSA-N 0 3 241.737 3.364 20 0 BGADHN Cc1ccc([C@@H](C)NCC2(C(F)F)CC2)o1 ZINC000309583492 385715125 /nfs/dbraw/zinc/71/51/25/385715125.db2.gz RBDLSRORQMMWBN-SECBINFHSA-N 0 3 229.270 3.284 20 0 BGADHN Cc1ccc([C@H](C)NCC2(C(F)F)CC2)o1 ZINC000309583493 385714809 /nfs/dbraw/zinc/71/48/09/385714809.db2.gz RBDLSRORQMMWBN-VIFPVBQESA-N 0 3 229.270 3.284 20 0 BGADHN C[C@@H](N[C@@H]1CCCC(C)(C)C1)c1ccon1 ZINC000309583760 385716522 /nfs/dbraw/zinc/71/65/22/385716522.db2.gz RCWPMDLNOWQSMX-GHMZBOCLSA-N 0 3 222.332 3.294 20 0 BGADHN C[C@@H](N[C@H]1CCCC(C)(C)C1)c1ccon1 ZINC000309583763 385715767 /nfs/dbraw/zinc/71/57/67/385715767.db2.gz RCWPMDLNOWQSMX-MNOVXSKESA-N 0 3 222.332 3.294 20 0 BGADHN C[C@H](N[C@H]1CCCC(C)(C)C1)c1ccon1 ZINC000309583766 385716381 /nfs/dbraw/zinc/71/63/81/385716381.db2.gz RCWPMDLNOWQSMX-QWRGUYRKSA-N 0 3 222.332 3.294 20 0 BGADHN C[C@H](N[C@@H]1CCCC(C)(C)C1)c1ccon1 ZINC000309583768 385715734 /nfs/dbraw/zinc/71/57/34/385715734.db2.gz RCWPMDLNOWQSMX-WDEREUQCSA-N 0 3 222.332 3.294 20 0 BGADHN C[C@H](N[C@@H]1CC=CCC1)c1ccc(Cl)cn1 ZINC000309587182 385711896 /nfs/dbraw/zinc/71/18/96/385711896.db2.gz SHJPUBAPFFWMOH-CMPLNLGQSA-N 0 3 236.746 3.494 20 0 BGADHN C[C@H](N[C@H]1CC=CCC1)c1ccc(Cl)cn1 ZINC000309587183 385713596 /nfs/dbraw/zinc/71/35/96/385713596.db2.gz SHJPUBAPFFWMOH-JQWIXIFHSA-N 0 3 236.746 3.494 20 0 BGADHN C[C@@H](N[C@H]1CC=CCC1)c1ccc(Cl)cn1 ZINC000309587184 385713405 /nfs/dbraw/zinc/71/34/05/385713405.db2.gz SHJPUBAPFFWMOH-PWSUYJOCSA-N 0 3 236.746 3.494 20 0 BGADHN C[C@@H](N[C@@H]1CC=CCC1)c1ccc(Cl)cn1 ZINC000309587185 385712894 /nfs/dbraw/zinc/71/28/94/385712894.db2.gz SHJPUBAPFFWMOH-ZYHUDNBSSA-N 0 3 236.746 3.494 20 0 BGADHN CCC[C@H](C)[C@@H](CC)NCc1snnc1C ZINC000309588070 384157287 /nfs/dbraw/zinc/15/72/87/384157287.db2.gz SSSAPOAFWMOSOF-GXSJLCMTSA-N 0 3 241.404 3.151 20 0 BGADHN CCC[C@@H](C)[C@H](CC)NCc1snnc1C ZINC000309588071 384158655 /nfs/dbraw/zinc/15/86/55/384158655.db2.gz SSSAPOAFWMOSOF-KOLCDFICSA-N 0 3 241.404 3.151 20 0 BGADHN CCC[C@@H](C)[C@@H](CC)NCc1snnc1C ZINC000309588073 384158265 /nfs/dbraw/zinc/15/82/65/384158265.db2.gz SSSAPOAFWMOSOF-MWLCHTKSSA-N 0 3 241.404 3.151 20 0 BGADHN CCC[C@H](C)[C@H](CC)NCc1snnc1C ZINC000309588074 384157046 /nfs/dbraw/zinc/15/70/46/384157046.db2.gz SSSAPOAFWMOSOF-ONGXEEELSA-N 0 3 241.404 3.151 20 0 BGADHN C[C@@H](NC1CC(C)(C)C1)c1ccncc1F ZINC000309590941 385719720 /nfs/dbraw/zinc/71/97/20/385719720.db2.gz UTJYDPDWUKNGPQ-SECBINFHSA-N 0 3 222.307 3.060 20 0 BGADHN C[C@H](NC1CC(C)(C)C1)c1ccncc1F ZINC000309590942 385720720 /nfs/dbraw/zinc/72/07/20/385720720.db2.gz UTJYDPDWUKNGPQ-VIFPVBQESA-N 0 3 222.307 3.060 20 0 BGADHN Fc1ccc(CN[C@@H]2CCC(F)(F)C2)cc1 ZINC000309591159 491152736 /nfs/dbraw/zinc/15/27/36/491152736.db2.gz ZLHFEWKFOXQECB-LLVKDONJSA-N 0 3 229.245 3.103 20 0 BGADHN Fc1ccc(CN[C@H]2CCC(F)(F)C2)cc1 ZINC000309591160 491152726 /nfs/dbraw/zinc/15/27/26/491152726.db2.gz ZLHFEWKFOXQECB-NSHDSACASA-N 0 3 229.245 3.103 20 0 BGADHN Cc1occc1CN[C@@H](C)Cc1ccsc1 ZINC000309592206 370234136 /nfs/dbraw/zinc/23/41/36/370234136.db2.gz VBXRYYVAYMLNOP-JTQLQIEISA-N 0 3 235.352 3.370 20 0 BGADHN Cc1occc1CN[C@H](C)Cc1ccsc1 ZINC000309592208 370234027 /nfs/dbraw/zinc/23/40/27/370234027.db2.gz VBXRYYVAYMLNOP-SNVBAGLBSA-N 0 3 235.352 3.370 20 0 BGADHN C[C@H](NC1CCCCC1)c1ccncc1F ZINC000309592247 385723213 /nfs/dbraw/zinc/72/32/13/385723213.db2.gz VCQCEBPXOFFATQ-JTQLQIEISA-N 0 3 222.307 3.204 20 0 BGADHN C[C@@H](NC1CCCCC1)c1ccncc1F ZINC000309592248 385722757 /nfs/dbraw/zinc/72/27/57/385722757.db2.gz VCQCEBPXOFFATQ-SNVBAGLBSA-N 0 3 222.307 3.204 20 0 BGADHN CC(C)Cn1ccnc1NCC1(C)CCC1 ZINC000309592944 491152778 /nfs/dbraw/zinc/15/27/78/491152778.db2.gz HKGZBXLLKGVGLC-UHFFFAOYSA-N 0 3 221.348 3.141 20 0 BGADHN FC1(F)CC[C@@H](NCc2cccnc2Cl)C1 ZINC000309593252 633964148 /nfs/dbraw/zinc/96/41/48/633964148.db2.gz SZJBLQVNOSBNPQ-SECBINFHSA-N 0 3 246.688 3.012 20 0 BGADHN FC1(F)CC[C@H](NCc2cccnc2Cl)C1 ZINC000309593254 633963638 /nfs/dbraw/zinc/96/36/38/633963638.db2.gz SZJBLQVNOSBNPQ-VIFPVBQESA-N 0 3 246.688 3.012 20 0 BGADHN C[C@@H](NCC1(C(F)(F)F)CC1)c1ccoc1 ZINC000309594353 491152809 /nfs/dbraw/zinc/15/28/09/491152809.db2.gz VUDAYJUESUQJEB-MRVPVSSYSA-N 0 3 233.233 3.273 20 0 BGADHN C[C@H](NCC1(C(F)(F)F)CC1)c1ccoc1 ZINC000309594354 491152850 /nfs/dbraw/zinc/15/28/50/491152850.db2.gz VUDAYJUESUQJEB-QMMMGPOBSA-N 0 3 233.233 3.273 20 0 BGADHN CC(C)(C)[C@H](NCCF)c1cccc(F)c1 ZINC000309594626 491152852 /nfs/dbraw/zinc/15/28/52/491152852.db2.gz IARRJCYZECBKIX-GFCCVEGCSA-N 0 3 227.298 3.472 20 0 BGADHN CC(C)(C)[C@@H](NCCF)c1cccc(F)c1 ZINC000309594631 491152805 /nfs/dbraw/zinc/15/28/05/491152805.db2.gz IARRJCYZECBKIX-LBPRGKRZSA-N 0 3 227.298 3.472 20 0 BGADHN Cc1csc([C@H](NCC[C@H](C)F)C2CC2)n1 ZINC000309599070 385727399 /nfs/dbraw/zinc/72/73/99/385727399.db2.gz XCKPQHDGLNTWHE-GZMMTYOYSA-N 0 3 242.363 3.240 20 0 BGADHN Cc1csc([C@@H](NCC[C@@H](C)F)C2CC2)n1 ZINC000309599071 179795299 /nfs/dbraw/zinc/79/52/99/179795299.db2.gz XCKPQHDGLNTWHE-KCJUWKMLSA-N 0 3 242.363 3.240 20 0 BGADHN Cc1csc([C@@H](NCC[C@H](C)F)C2CC2)n1 ZINC000309599072 179795104 /nfs/dbraw/zinc/79/51/04/179795104.db2.gz XCKPQHDGLNTWHE-KWQFWETISA-N 0 3 242.363 3.240 20 0 BGADHN Cc1csc([C@H](NCC[C@@H](C)F)C2CC2)n1 ZINC000309599073 385726506 /nfs/dbraw/zinc/72/65/06/385726506.db2.gz XCKPQHDGLNTWHE-LDYMZIIASA-N 0 3 242.363 3.240 20 0 BGADHN c1csc(CN[C@@H]2CC[C@H]3CCC[C@H]3C2)n1 ZINC000309602782 342745119 /nfs/dbraw/zinc/74/51/19/342745119.db2.gz KMOHARPOOTWOFM-GRYCIOLGSA-N 0 3 236.384 3.202 20 0 BGADHN c1csc(CN[C@@H]2CC[C@H]3CCC[C@@H]3C2)n1 ZINC000309602783 342745207 /nfs/dbraw/zinc/74/52/07/342745207.db2.gz KMOHARPOOTWOFM-IJLUTSLNSA-N 0 3 236.384 3.202 20 0 BGADHN c1csc(CN[C@@H]2CC[C@@H]3CCC[C@@H]3C2)n1 ZINC000309602784 342745176 /nfs/dbraw/zinc/74/51/76/342745176.db2.gz KMOHARPOOTWOFM-QJPTWQEYSA-N 0 3 236.384 3.202 20 0 BGADHN c1csc(CN[C@@H]2CC[C@@H]3CCC[C@H]3C2)n1 ZINC000309602785 342745099 /nfs/dbraw/zinc/74/50/99/342745099.db2.gz KMOHARPOOTWOFM-SDDRHHMPSA-N 0 3 236.384 3.202 20 0 BGADHN C[C@@H](NCC1(C)CCCCC1)c1ncc[nH]1 ZINC000309605796 491152253 /nfs/dbraw/zinc/15/22/53/491152253.db2.gz YPWQIDYLCJTGTF-LLVKDONJSA-N 0 3 221.348 3.031 20 0 BGADHN C[C@H](NCC1(C)CCCCC1)c1ncc[nH]1 ZINC000309605798 491152223 /nfs/dbraw/zinc/15/22/23/491152223.db2.gz YPWQIDYLCJTGTF-NSHDSACASA-N 0 3 221.348 3.031 20 0 BGADHN Fc1ccc(Cl)cc1CN[C@H]1[C@@H]2CCC[C@@H]21 ZINC000309610017 388368780 /nfs/dbraw/zinc/36/87/80/388368780.db2.gz ZFYVOAKEOOHOQZ-PJXYFTJBSA-N 0 3 239.721 3.367 20 0 BGADHN C[C@H](N[C@H]1CC[C@H]1C1CCC1)c1nccs1 ZINC000309610261 384168308 /nfs/dbraw/zinc/16/83/08/384168308.db2.gz ZTMSUYVEURELGH-DLOVCJGASA-N 0 3 236.384 3.372 20 0 BGADHN C[C@H](N[C@@H]1CC[C@@H]1C1CCC1)c1nccs1 ZINC000309610263 384168724 /nfs/dbraw/zinc/16/87/24/384168724.db2.gz ZTMSUYVEURELGH-MVWJERBFSA-N 0 3 236.384 3.372 20 0 BGADHN C[C@H](N[C@H]1CC[C@@H]1C1CCC1)c1nccs1 ZINC000309610264 384167953 /nfs/dbraw/zinc/16/79/53/384167953.db2.gz ZTMSUYVEURELGH-WCQGTBRESA-N 0 3 236.384 3.372 20 0 BGADHN C[C@H](N[C@@H]1CC[C@H]1C1CCC1)c1nccs1 ZINC000309610266 384167519 /nfs/dbraw/zinc/16/75/19/384167519.db2.gz ZTMSUYVEURELGH-ZMLRMANQSA-N 0 3 236.384 3.372 20 0 BGADHN Cc1csc([C@H](C)NC2CC3(CCC3)C2)n1 ZINC000309610894 385741523 /nfs/dbraw/zinc/74/15/23/385741523.db2.gz ZYJHGJFWJMFUPX-JTQLQIEISA-N 0 3 236.384 3.435 20 0 BGADHN Cc1csc([C@@H](C)NC2CC3(CCC3)C2)n1 ZINC000309610895 384643873 /nfs/dbraw/zinc/64/38/73/384643873.db2.gz ZYJHGJFWJMFUPX-SNVBAGLBSA-N 0 3 236.384 3.435 20 0 BGADHN CCCC[C@@H](NCc1cocn1)C1CCC1 ZINC000309611160 347121262 /nfs/dbraw/zinc/12/12/62/347121262.db2.gz AFQKOMXSBPXGRJ-CYBMUJFWSA-N 0 3 222.332 3.123 20 0 BGADHN CCCC[C@H](NCc1cocn1)C1CCC1 ZINC000309611162 169012011 /nfs/dbraw/zinc/01/20/11/169012011.db2.gz AFQKOMXSBPXGRJ-ZDUSSCGKSA-N 0 3 222.332 3.123 20 0 BGADHN CCC(CC)NCc1nc2ccccc2o1 ZINC000309612298 342746689 /nfs/dbraw/zinc/74/66/89/342746689.db2.gz AOZQKBNZXZUWLE-UHFFFAOYSA-N 0 3 218.300 3.106 20 0 BGADHN Cc1nc(C)c(CN[C@@H]2CC23CCCC3)s1 ZINC000309612701 385746138 /nfs/dbraw/zinc/74/61/38/385746138.db2.gz AQMIZZGQXVIKAW-GFCCVEGCSA-N 0 3 236.384 3.182 20 0 BGADHN Cc1nc(C)c(CN[C@H]2CC23CCCC3)s1 ZINC000309612703 385747492 /nfs/dbraw/zinc/74/74/92/385747492.db2.gz AQMIZZGQXVIKAW-LBPRGKRZSA-N 0 3 236.384 3.182 20 0 BGADHN Cc1csc([C@H](NCCC2CC2)C2CC2)n1 ZINC000309613259 385742886 /nfs/dbraw/zinc/74/28/86/385742886.db2.gz AWCBDRANIFGFGX-GFCCVEGCSA-N 0 3 236.384 3.292 20 0 BGADHN Cc1csc([C@@H](NCCC2CC2)C2CC2)n1 ZINC000309613260 179795553 /nfs/dbraw/zinc/79/55/53/179795553.db2.gz AWCBDRANIFGFGX-LBPRGKRZSA-N 0 3 236.384 3.292 20 0 BGADHN CC(C)(CF)NC/C=C\c1ccc(F)cc1 ZINC000309613518 384167685 /nfs/dbraw/zinc/16/76/85/384167685.db2.gz NEHHLSGMSWVUKK-ARJAWSKDSA-N 0 3 225.282 3.177 20 0 BGADHN CC(C)(CF)NC/C=C/c1ccc(F)cc1 ZINC000309613519 384168737 /nfs/dbraw/zinc/16/87/37/384168737.db2.gz NEHHLSGMSWVUKK-ONEGZZNKSA-N 0 3 225.282 3.177 20 0 BGADHN CCCC[C@@H](NCc1ccno1)C1CCC1 ZINC000309614357 323433131 /nfs/dbraw/zinc/43/31/31/323433131.db2.gz BCOZINODGFZWAZ-CYBMUJFWSA-N 0 3 222.332 3.123 20 0 BGADHN CCCC[C@H](NCc1ccno1)C1CCC1 ZINC000309614360 387833922 /nfs/dbraw/zinc/83/39/22/387833922.db2.gz BCOZINODGFZWAZ-ZDUSSCGKSA-N 0 3 222.332 3.123 20 0 BGADHN CC[C@H](N[C@@H]1CC[C@@H]1C1CC1)c1nccs1 ZINC000309614426 491152572 /nfs/dbraw/zinc/15/25/72/491152572.db2.gz BDGCAYCZHZKEGW-GRYCIOLGSA-N 0 3 236.384 3.372 20 0 BGADHN CC[C@H](N[C@@H]1CC[C@H]1C1CC1)c1nccs1 ZINC000309614429 491152562 /nfs/dbraw/zinc/15/25/62/491152562.db2.gz BDGCAYCZHZKEGW-SDDRHHMPSA-N 0 3 236.384 3.372 20 0 BGADHN CC[C@H](N[C@H]1CC[C@H]1C1CC1)c1nccs1 ZINC000309614432 491152550 /nfs/dbraw/zinc/15/25/50/491152550.db2.gz BDGCAYCZHZKEGW-SRVKXCTJSA-N 0 3 236.384 3.372 20 0 BGADHN CC[C@H](N[C@H]1CC[C@@H]1C1CC1)c1nccs1 ZINC000309614435 491152543 /nfs/dbraw/zinc/15/25/43/491152543.db2.gz BDGCAYCZHZKEGW-WOPDTQHZSA-N 0 3 236.384 3.372 20 0 BGADHN CCCC[C@H](C)NCc1oc(CC)nc1C ZINC000309614826 347121993 /nfs/dbraw/zinc/12/19/93/347121993.db2.gz BGTKBJMJUNDTEK-JTQLQIEISA-N 0 3 224.348 3.214 20 0 BGADHN CCCC[C@@H](C)NCc1oc(CC)nc1C ZINC000309614828 344414633 /nfs/dbraw/zinc/41/46/33/344414633.db2.gz BGTKBJMJUNDTEK-SNVBAGLBSA-N 0 3 224.348 3.214 20 0 BGADHN CC(C)[C@@H](C)N[C@@H]1COc2c1cccc2Cl ZINC000309618793 491058189 /nfs/dbraw/zinc/05/81/89/491058189.db2.gz OOCPFXZKVDYXBD-BXKDBHETSA-N 0 3 239.746 3.408 20 0 BGADHN CC(C)[C@H](C)N[C@H]1COc2c1cccc2Cl ZINC000309618797 491152594 /nfs/dbraw/zinc/15/25/94/491152594.db2.gz OOCPFXZKVDYXBD-CABZTGNLSA-N 0 3 239.746 3.408 20 0 BGADHN CC(C)[C@H](C)N[C@@H]1COc2c1cccc2Cl ZINC000309618799 491152642 /nfs/dbraw/zinc/15/26/42/491152642.db2.gz OOCPFXZKVDYXBD-JOYOIKCWSA-N 0 3 239.746 3.408 20 0 BGADHN CC(C)[C@@H](C)N[C@H]1COc2c1cccc2Cl ZINC000309618800 491152638 /nfs/dbraw/zinc/15/26/38/491152638.db2.gz OOCPFXZKVDYXBD-SKDRFNHKSA-N 0 3 239.746 3.408 20 0 BGADHN CCc1cccc(F)c1CNC1CC(C)C1 ZINC000309619585 384168713 /nfs/dbraw/zinc/16/87/13/384168713.db2.gz DVDQOOIFLABABG-UHFFFAOYSA-N 0 3 221.319 3.276 20 0 BGADHN Cc1ccoc1CNCC(C)(C)C(F)(F)F ZINC000309620417 387837514 /nfs/dbraw/zinc/83/75/14/387837514.db2.gz DCCWCEHHQHQWIV-UHFFFAOYSA-N 0 3 235.249 3.266 20 0 BGADHN Cc1csc(CNCC23CCC(CC2)C3)n1 ZINC000309620467 385751875 /nfs/dbraw/zinc/75/18/75/385751875.db2.gz DDFRYTYCPPBCHJ-UHFFFAOYSA-N 0 3 236.384 3.121 20 0 BGADHN CC(C)=CCNC(C)(C)c1c(C)noc1C ZINC000309621241 385745874 /nfs/dbraw/zinc/74/58/74/385745874.db2.gz PCQFWQSARKIUPK-UHFFFAOYSA-N 0 3 222.332 3.082 20 0 BGADHN Cc1ccoc1CNCC12CCC(CC1)C2 ZINC000309621407 384662059 /nfs/dbraw/zinc/66/20/59/384662059.db2.gz DJXIAQBMMVPFKF-UHFFFAOYSA-N 0 3 219.328 3.258 20 0 BGADHN CO[C@H](CNCc1cccc(Cl)c1)C(C)C ZINC000309623213 174867699 /nfs/dbraw/zinc/86/76/99/174867699.db2.gz FUBCFSZJPSGOMN-CYBMUJFWSA-N 0 3 241.762 3.101 20 0 BGADHN CO[C@@H](CNCc1cccc(Cl)c1)C(C)C ZINC000309623214 385749977 /nfs/dbraw/zinc/74/99/77/385749977.db2.gz FUBCFSZJPSGOMN-ZDUSSCGKSA-N 0 3 241.762 3.101 20 0 BGADHN CC[C@@H](N[C@H](C)c1ccncc1F)C1CC1 ZINC000309624211 347123390 /nfs/dbraw/zinc/12/33/90/347123390.db2.gz FIQMUKWBBNFJSK-NOZJJQNGSA-N 0 3 222.307 3.060 20 0 BGADHN CC[C@H](N[C@H](C)c1ccncc1F)C1CC1 ZINC000309624212 385749340 /nfs/dbraw/zinc/74/93/40/385749340.db2.gz FIQMUKWBBNFJSK-RNCFNFMXSA-N 0 3 222.307 3.060 20 0 BGADHN CC[C@@H](N[C@@H](C)c1ccncc1F)C1CC1 ZINC000309624213 386291487 /nfs/dbraw/zinc/29/14/87/386291487.db2.gz FIQMUKWBBNFJSK-TVQRCGJNSA-N 0 3 222.307 3.060 20 0 BGADHN CC[C@H](N[C@@H](C)c1ccncc1F)C1CC1 ZINC000309624214 385748888 /nfs/dbraw/zinc/74/88/88/385748888.db2.gz FIQMUKWBBNFJSK-ZANVPECISA-N 0 3 222.307 3.060 20 0 BGADHN CC1(CCNCc2csc(C3CC3)n2)CC1 ZINC000309624811 168020221 /nfs/dbraw/zinc/02/02/21/168020221.db2.gz PVTAAFKMXVGVHY-UHFFFAOYSA-N 0 3 236.384 3.300 20 0 BGADHN CCSCCCN[C@@H](C)c1ccncc1F ZINC000309627551 385756709 /nfs/dbraw/zinc/75/67/09/385756709.db2.gz GUHQIQDUZQVBAF-JTQLQIEISA-N 0 3 242.363 3.015 20 0 BGADHN CCSCCCN[C@H](C)c1ccncc1F ZINC000309627554 385757061 /nfs/dbraw/zinc/75/70/61/385757061.db2.gz GUHQIQDUZQVBAF-SNVBAGLBSA-N 0 3 242.363 3.015 20 0 BGADHN CC(C)=CCN[C@@H]1CCc2nc(Cl)ccc21 ZINC000309631508 633977489 /nfs/dbraw/zinc/97/74/89/633977489.db2.gz RHYJERFXPWSHIA-LLVKDONJSA-N 0 3 236.746 3.278 20 0 BGADHN CC(C)=CCN[C@H]1CCc2nc(Cl)ccc21 ZINC000309631510 633978484 /nfs/dbraw/zinc/97/84/84/633978484.db2.gz RHYJERFXPWSHIA-NSHDSACASA-N 0 3 236.746 3.278 20 0 BGADHN CCc1cc(CNC[C@H](C)C(C)(C)C)on1 ZINC000309639508 487996812 /nfs/dbraw/zinc/99/68/12/487996812.db2.gz KKGHIOAWSYBSNH-JTQLQIEISA-N 0 3 224.348 3.009 20 0 BGADHN CCc1cc(CNC[C@@H](C)C(C)(C)C)on1 ZINC000309639510 487996766 /nfs/dbraw/zinc/99/67/66/487996766.db2.gz KKGHIOAWSYBSNH-SNVBAGLBSA-N 0 3 224.348 3.009 20 0 BGADHN CCc1ccc(CN[C@@H]2CCC(F)(F)C2)o1 ZINC000309647773 582903608 /nfs/dbraw/zinc/90/36/08/582903608.db2.gz WQBHONMKWZAGSV-SECBINFHSA-N 0 3 229.270 3.119 20 0 BGADHN CCc1ccc(CN[C@H]2CCC(F)(F)C2)o1 ZINC000309647774 582903822 /nfs/dbraw/zinc/90/38/22/582903822.db2.gz WQBHONMKWZAGSV-VIFPVBQESA-N 0 3 229.270 3.119 20 0 BGADHN FC1(F)CC[C@@H](NCc2ccncc2Cl)C1 ZINC000309648997 343940375 /nfs/dbraw/zinc/94/03/75/343940375.db2.gz WZRCTWUOGMSWFW-SECBINFHSA-N 0 3 246.688 3.012 20 0 BGADHN FC1(F)CC[C@H](NCc2ccncc2Cl)C1 ZINC000309648998 343940419 /nfs/dbraw/zinc/94/04/19/343940419.db2.gz WZRCTWUOGMSWFW-VIFPVBQESA-N 0 3 246.688 3.012 20 0 BGADHN CC(C)[C@H](CC(F)(F)F)NCc1ccoc1 ZINC000309650334 633981660 /nfs/dbraw/zinc/98/16/60/633981660.db2.gz XOQCQIVPVWYQSH-JTQLQIEISA-N 0 3 235.249 3.346 20 0 BGADHN CC(C)[C@@H](CC(F)(F)F)NCc1ccoc1 ZINC000309650335 633982575 /nfs/dbraw/zinc/98/25/75/633982575.db2.gz XOQCQIVPVWYQSH-SNVBAGLBSA-N 0 3 235.249 3.346 20 0 BGADHN CCc1cnc(CNC[C@@H]2CC[C@@H](C)C2)s1 ZINC000309650435 347129975 /nfs/dbraw/zinc/12/99/75/347129975.db2.gz NVPIPOUSCRSJOQ-GHMZBOCLSA-N 0 3 238.400 3.231 20 0 BGADHN CCc1cnc(CNC[C@H]2CC[C@@H](C)C2)s1 ZINC000309650437 171914340 /nfs/dbraw/zinc/91/43/40/171914340.db2.gz NVPIPOUSCRSJOQ-MNOVXSKESA-N 0 3 238.400 3.231 20 0 BGADHN CCc1cnc(CNC[C@H]2CC[C@H](C)C2)s1 ZINC000309650439 347130000 /nfs/dbraw/zinc/13/00/00/347130000.db2.gz NVPIPOUSCRSJOQ-QWRGUYRKSA-N 0 3 238.400 3.231 20 0 BGADHN CCc1cnc(CNC[C@@H]2CC[C@H](C)C2)s1 ZINC000309650441 347129891 /nfs/dbraw/zinc/12/98/91/347129891.db2.gz NVPIPOUSCRSJOQ-WDEREUQCSA-N 0 3 238.400 3.231 20 0 BGADHN c1coc(CN[C@@H]2CC[C@H]3CCC[C@H]3C2)c1 ZINC000309652414 385769836 /nfs/dbraw/zinc/76/98/36/385769836.db2.gz YEWSOJVLNYCNBK-FRRDWIJNSA-N 0 3 219.328 3.338 20 0 BGADHN c1coc(CN[C@@H]2CC[C@H]3CCC[C@@H]3C2)c1 ZINC000309652415 187310457 /nfs/dbraw/zinc/31/04/57/187310457.db2.gz YEWSOJVLNYCNBK-JHJVBQTASA-N 0 3 219.328 3.338 20 0 BGADHN c1coc(CN[C@@H]2CC[C@@H]3CCC[C@H]3C2)c1 ZINC000309652416 188168898 /nfs/dbraw/zinc/16/88/98/188168898.db2.gz YEWSOJVLNYCNBK-RWMBFGLXSA-N 0 3 219.328 3.338 20 0 BGADHN c1coc(CN[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1 ZINC000309652417 385770048 /nfs/dbraw/zinc/77/00/48/385770048.db2.gz YEWSOJVLNYCNBK-YNEHKIRRSA-N 0 3 219.328 3.338 20 0 BGADHN CC(C)(CF)NCCc1ccc(F)cc1Cl ZINC000309652418 388459799 /nfs/dbraw/zinc/45/97/99/388459799.db2.gz YEYLLFXVDAEARQ-UHFFFAOYSA-N 0 3 247.716 3.359 20 0 BGADHN CCc1nnc(CNC(CC)(CC)CC)s1 ZINC000309653991 491153784 /nfs/dbraw/zinc/15/37/84/491153784.db2.gz PBCNMRZVAQKAMY-UHFFFAOYSA-N 0 3 241.404 3.159 20 0 BGADHN CO[C@H](CNCc1ccc(Cl)cc1)C(C)C ZINC000309654989 385772564 /nfs/dbraw/zinc/77/25/64/385772564.db2.gz PKCBLCLHDIUBCZ-CYBMUJFWSA-N 0 3 241.762 3.101 20 0 BGADHN CO[C@@H](CNCc1ccc(Cl)cc1)C(C)C ZINC000309654991 385772192 /nfs/dbraw/zinc/77/21/92/385772192.db2.gz PKCBLCLHDIUBCZ-ZDUSSCGKSA-N 0 3 241.762 3.101 20 0 BGADHN CC(C)[C@H](C)CN[C@H](C)c1ccncc1F ZINC000309658682 384195499 /nfs/dbraw/zinc/19/54/99/384195499.db2.gz FLHHDFVAEBISNR-GHMZBOCLSA-N 0 3 224.323 3.163 20 0 BGADHN CC(C)[C@H](C)CN[C@@H](C)c1ccncc1F ZINC000309658683 384196921 /nfs/dbraw/zinc/19/69/21/384196921.db2.gz FLHHDFVAEBISNR-MNOVXSKESA-N 0 3 224.323 3.163 20 0 BGADHN CC(C)[C@@H](C)CN[C@@H](C)c1ccncc1F ZINC000309658686 384197031 /nfs/dbraw/zinc/19/70/31/384197031.db2.gz FLHHDFVAEBISNR-QWRGUYRKSA-N 0 3 224.323 3.163 20 0 BGADHN CC(C)[C@@H](C)CN[C@H](C)c1ccncc1F ZINC000309658688 384196071 /nfs/dbraw/zinc/19/60/71/384196071.db2.gz FLHHDFVAEBISNR-WDEREUQCSA-N 0 3 224.323 3.163 20 0 BGADHN Cc1occc1CN[C@H]1CS[C@@H](C(C)C)C1 ZINC000309658740 491153884 /nfs/dbraw/zinc/15/38/84/491153884.db2.gz FLXACZMGQKBYBQ-CHWSQXEVSA-N 0 3 239.384 3.208 20 0 BGADHN Cc1occc1CN[C@H]1CS[C@H](C(C)C)C1 ZINC000309658743 491153869 /nfs/dbraw/zinc/15/38/69/491153869.db2.gz FLXACZMGQKBYBQ-OLZOCXBDSA-N 0 3 239.384 3.208 20 0 BGADHN Cc1occc1CN[C@@H]1CS[C@@H](C(C)C)C1 ZINC000309658747 491153855 /nfs/dbraw/zinc/15/38/55/491153855.db2.gz FLXACZMGQKBYBQ-QWHCGFSZSA-N 0 3 239.384 3.208 20 0 BGADHN Cc1occc1CN[C@@H]1CS[C@H](C(C)C)C1 ZINC000309658751 491153861 /nfs/dbraw/zinc/15/38/61/491153861.db2.gz FLXACZMGQKBYBQ-STQMWFEESA-N 0 3 239.384 3.208 20 0 BGADHN CCc1cnc(CNCC(C)(C)C(C)C)s1 ZINC000309661539 347130890 /nfs/dbraw/zinc/13/08/90/347130890.db2.gz RMAAESBUTGZZAU-UHFFFAOYSA-N 0 3 240.416 3.477 20 0 BGADHN CC(C)(CF)NCc1ccc2occc2c1 ZINC000309661826 187310129 /nfs/dbraw/zinc/31/01/29/187310129.db2.gz GHJPUXISGPLCEJ-UHFFFAOYSA-N 0 3 221.275 3.271 20 0 BGADHN Cc1occc1CN[C@@H]1CCC12CCCC2 ZINC000309662025 491154110 /nfs/dbraw/zinc/15/41/10/491154110.db2.gz YEJZXDXXMWTIHC-CYBMUJFWSA-N 0 3 219.328 3.400 20 0 BGADHN Cc1occc1CN[C@H]1CCC12CCCC2 ZINC000309662026 491154079 /nfs/dbraw/zinc/15/40/79/491154079.db2.gz YEJZXDXXMWTIHC-ZDUSSCGKSA-N 0 3 219.328 3.400 20 0 BGADHN CCSCCNC1(c2ccc(F)cc2)CC1 ZINC000309662929 385774297 /nfs/dbraw/zinc/77/42/97/385774297.db2.gz RZMKCXRZFUGBES-UHFFFAOYSA-N 0 3 239.359 3.158 20 0 BGADHN c1cc2c(o1)CCC[C@H]2NC1(C2CC2)CC1 ZINC000309665922 370240919 /nfs/dbraw/zinc/24/09/19/370240919.db2.gz HTFLQYXEHVDTER-GFCCVEGCSA-N 0 3 217.312 3.189 20 0 BGADHN c1cc2c(o1)CCC[C@@H]2NC1(C2CC2)CC1 ZINC000309665923 370241328 /nfs/dbraw/zinc/24/13/28/370241328.db2.gz HTFLQYXEHVDTER-LBPRGKRZSA-N 0 3 217.312 3.189 20 0 BGADHN CCSCCN[C@@H]1CCc2ccc(F)cc21 ZINC000309667309 323082643 /nfs/dbraw/zinc/08/26/43/323082643.db2.gz URAPBACANNRXQU-CYBMUJFWSA-N 0 3 239.359 3.156 20 0 BGADHN CCSCCN[C@H]1CCc2ccc(F)cc21 ZINC000309667310 388008898 /nfs/dbraw/zinc/00/88/98/388008898.db2.gz URAPBACANNRXQU-ZDUSSCGKSA-N 0 3 239.359 3.156 20 0 BGADHN CC(C)COCCNC(C)(C)c1cccs1 ZINC000309668217 385783544 /nfs/dbraw/zinc/78/35/44/385783544.db2.gz IQKTUHMXHUVXIA-UHFFFAOYSA-N 0 3 241.400 3.245 20 0 BGADHN CCc1cccc(Cl)c1CNC[C@H](C)OC ZINC000309669151 385784793 /nfs/dbraw/zinc/78/47/93/385784793.db2.gz VIXSGHWBRCCUHI-JTQLQIEISA-N 0 3 241.762 3.027 20 0 BGADHN CCc1cccc(Cl)c1CNC[C@@H](C)OC ZINC000309669155 171857348 /nfs/dbraw/zinc/85/73/48/171857348.db2.gz VIXSGHWBRCCUHI-SNVBAGLBSA-N 0 3 241.762 3.027 20 0 BGADHN c1nc(C2CC2)c(CN[C@@H]2C=CCCC2)s1 ZINC000309669216 491154213 /nfs/dbraw/zinc/15/42/13/491154213.db2.gz JBPVYCDPNXSYKH-LLVKDONJSA-N 0 3 234.368 3.219 20 0 BGADHN c1nc(C2CC2)c(CN[C@H]2C=CCCC2)s1 ZINC000309669217 491154270 /nfs/dbraw/zinc/15/42/70/491154270.db2.gz JBPVYCDPNXSYKH-NSHDSACASA-N 0 3 234.368 3.219 20 0 BGADHN CC(C)=CCNCc1cnc(C2CCC2)s1 ZINC000309669242 188169692 /nfs/dbraw/zinc/16/96/92/188169692.db2.gz JCWZUVYKDUTJOQ-UHFFFAOYSA-N 0 3 236.384 3.466 20 0 BGADHN CCc1cnccc1[C@@H](C)NCC=C(C)C ZINC000309669557 347132707 /nfs/dbraw/zinc/13/27/07/347132707.db2.gz VMSWLDYUYQQNRJ-GFCCVEGCSA-N 0 3 218.344 3.261 20 0 BGADHN CCc1cnccc1[C@H](C)NCC=C(C)C ZINC000309669558 347132757 /nfs/dbraw/zinc/13/27/57/347132757.db2.gz VMSWLDYUYQQNRJ-LBPRGKRZSA-N 0 3 218.344 3.261 20 0 BGADHN Cc1nc(-c2ccc(CNC(C)C)o2)cs1 ZINC000309670047 385785007 /nfs/dbraw/zinc/78/50/07/385785007.db2.gz JLDJPPQOVVNLJM-UHFFFAOYSA-N 0 3 236.340 3.210 20 0 BGADHN CCc1nc([C@H](C)N[C@@H]2C[C@@H](C)[C@H]2C)cs1 ZINC000309671171 172007597 /nfs/dbraw/zinc/00/75/97/172007597.db2.gz WATOQSURDXSWIE-CHWFTXMASA-N 0 3 238.400 3.401 20 0 BGADHN CCc1nc([C@H](C)N[C@@H]2C[C@@H](C)[C@@H]2C)cs1 ZINC000309671172 172007338 /nfs/dbraw/zinc/00/73/38/172007338.db2.gz WATOQSURDXSWIE-VPOLOUISSA-N 0 3 238.400 3.401 20 0 BGADHN CCc1nc([C@H](C)N[C@@H]2C[C@H](C)[C@@H]2C)cs1 ZINC000309671328 172007046 /nfs/dbraw/zinc/00/70/46/172007046.db2.gz WATOQSURDXSWIE-XWLWVQCSSA-N 0 3 238.400 3.401 20 0 BGADHN CCc1nc([C@H](C)N[C@@H]2C[C@H](C)[C@H]2C)cs1 ZINC000309671329 172007594 /nfs/dbraw/zinc/00/75/94/172007594.db2.gz WATOQSURDXSWIE-ZRUFSTJUSA-N 0 3 238.400 3.401 20 0 BGADHN Cc1c[nH]nc1CN[C@H](C)CCCC(C)C ZINC000309674452 385779482 /nfs/dbraw/zinc/77/94/82/385779482.db2.gz LFJOUXQEQHZGMF-GFCCVEGCSA-N 0 3 223.364 3.023 20 0 BGADHN Cc1c[nH]nc1CN[C@@H](C)CCCC(C)C ZINC000309674453 385782668 /nfs/dbraw/zinc/78/26/68/385782668.db2.gz LFJOUXQEQHZGMF-LBPRGKRZSA-N 0 3 223.364 3.023 20 0 BGADHN CCc1cnc(CNCC2(C(C)C)CC2)s1 ZINC000309675674 491058412 /nfs/dbraw/zinc/05/84/12/491058412.db2.gz XOYQSBMGRIQDKH-UHFFFAOYSA-N 0 3 238.400 3.231 20 0 BGADHN CCOC[C@@H](C)NCc1ccc(Cl)c(C)c1 ZINC000309675731 385782179 /nfs/dbraw/zinc/78/21/79/385782179.db2.gz XRLHSJOBMUPWFB-LLVKDONJSA-N 0 3 241.762 3.163 20 0 BGADHN CC(C)=CCN[C@H](c1cccnc1)C(C)C ZINC000309676653 187999009 /nfs/dbraw/zinc/99/90/09/187999009.db2.gz LXTYSJXXRPJZIV-AWEZNQCLSA-N 0 3 218.344 3.335 20 0 BGADHN CC(C)=CCN[C@@H](c1cccnc1)C(C)C ZINC000309676654 191065193 /nfs/dbraw/zinc/06/51/93/191065193.db2.gz LXTYSJXXRPJZIV-CQSZACIVSA-N 0 3 218.344 3.335 20 0 BGADHN CCc1cnc(CNC(CC)(CC)CC)o1 ZINC000309681776 491058420 /nfs/dbraw/zinc/05/84/20/491058420.db2.gz ZSAPQLRIBRMXFA-UHFFFAOYSA-N 0 3 224.348 3.295 20 0 BGADHN Cc1ncc(CN[C@@H]2CCC23CCCC3)s1 ZINC000309685106 180156487 /nfs/dbraw/zinc/15/64/87/180156487.db2.gz HDLKFUILIKDAOL-GFCCVEGCSA-N 0 3 236.384 3.264 20 0 BGADHN Cc1ncc(CN[C@H]2CCC23CCCC3)s1 ZINC000309685107 180158342 /nfs/dbraw/zinc/15/83/42/180158342.db2.gz HDLKFUILIKDAOL-LBPRGKRZSA-N 0 3 236.384 3.264 20 0 BGADHN Cc1ccc(CCNCc2ccc(Cl)o2)o1 ZINC000309686391 388369662 /nfs/dbraw/zinc/36/96/62/388369662.db2.gz HMVAIBNFXQOBPW-UHFFFAOYSA-N 0 3 239.702 3.167 20 0 BGADHN Cc1nc(CNC2CCC(F)(F)CC2)cs1 ZINC000309688447 385792186 /nfs/dbraw/zinc/79/21/86/385792186.db2.gz IFUBICYKYHCMGW-UHFFFAOYSA-N 0 3 246.326 3.119 20 0 BGADHN CCCc1nc(C)c(CN[C@@H](C)CCC)o1 ZINC000309688668 385793475 /nfs/dbraw/zinc/79/34/75/385793475.db2.gz IGJUWSNGILXOTN-JTQLQIEISA-N 0 3 224.348 3.214 20 0 BGADHN CCCc1nc(C)c(CN[C@H](C)CCC)o1 ZINC000309688669 385791084 /nfs/dbraw/zinc/79/10/84/385791084.db2.gz IGJUWSNGILXOTN-SNVBAGLBSA-N 0 3 224.348 3.214 20 0 BGADHN Cc1ccc([C@@H]2CCC[C@@H]2NCCF)cc1 ZINC000309688677 385793404 /nfs/dbraw/zinc/79/34/04/385793404.db2.gz IGWVVAHQLSKFDI-KBPBESRZSA-N 0 3 221.319 3.190 20 0 BGADHN Cc1ccc([C@H]2CCC[C@@H]2NCCF)cc1 ZINC000309688678 385793225 /nfs/dbraw/zinc/79/32/25/385793225.db2.gz IGWVVAHQLSKFDI-KGLIPLIRSA-N 0 3 221.319 3.190 20 0 BGADHN Cc1ccc([C@@H]2CCC[C@H]2NCCF)cc1 ZINC000309688679 385791484 /nfs/dbraw/zinc/79/14/84/385791484.db2.gz IGWVVAHQLSKFDI-UONOGXRCSA-N 0 3 221.319 3.190 20 0 BGADHN Cc1ccc([C@H]2CCC[C@H]2NCCF)cc1 ZINC000309688680 178921429 /nfs/dbraw/zinc/92/14/29/178921429.db2.gz IGWVVAHQLSKFDI-ZIAGYGMSSA-N 0 3 221.319 3.190 20 0 BGADHN CC[C@@H](C)CN[C@@H]1COc2c1cccc2Cl ZINC000309689435 491154409 /nfs/dbraw/zinc/15/44/09/491154409.db2.gz IRONEINDIZNNTB-BXKDBHETSA-N 0 3 239.746 3.409 20 0 BGADHN CC[C@H](C)CN[C@H]1COc2c1cccc2Cl ZINC000309689440 491154465 /nfs/dbraw/zinc/15/44/65/491154465.db2.gz IRONEINDIZNNTB-CABZTGNLSA-N 0 3 239.746 3.409 20 0 BGADHN CC[C@H](C)CN[C@@H]1COc2c1cccc2Cl ZINC000309689446 491154522 /nfs/dbraw/zinc/15/45/22/491154522.db2.gz IRONEINDIZNNTB-JOYOIKCWSA-N 0 3 239.746 3.409 20 0 BGADHN CC[C@@H](C)CN[C@H]1COc2c1cccc2Cl ZINC000309689452 491058526 /nfs/dbraw/zinc/05/85/26/491058526.db2.gz IRONEINDIZNNTB-SKDRFNHKSA-N 0 3 239.746 3.409 20 0 BGADHN Cc1ccc(F)cc1CNC1CC(F)(F)C1 ZINC000309691297 385794424 /nfs/dbraw/zinc/79/44/24/385794424.db2.gz JIJFGCUGZMWURR-UHFFFAOYSA-N 0 3 229.245 3.021 20 0 BGADHN CC(C)CC(C)(C)CN[C@H](C)c1ncc[nH]1 ZINC000309691492 491086201 /nfs/dbraw/zinc/08/62/01/491086201.db2.gz PWWBUMULCBHMQB-LLVKDONJSA-N 0 3 223.364 3.133 20 0 BGADHN CC(C)CC(C)(C)CN[C@@H](C)c1ncc[nH]1 ZINC000309691493 491154570 /nfs/dbraw/zinc/15/45/70/491154570.db2.gz PWWBUMULCBHMQB-NSHDSACASA-N 0 3 223.364 3.133 20 0 BGADHN CC(C)(C)c1cnc(CNCCCCF)s1 ZINC000309692069 188322834 /nfs/dbraw/zinc/32/28/34/188322834.db2.gz QCKYWXIKMASNAJ-UHFFFAOYSA-N 0 3 244.379 3.280 20 0 BGADHN CC(C)CC(CC(C)C)NCc1cocn1 ZINC000309692130 385795067 /nfs/dbraw/zinc/79/50/67/385795067.db2.gz QDBLLADUWQRKJN-UHFFFAOYSA-N 0 3 224.348 3.225 20 0 BGADHN Cc1nc(CNC2CC(C(C)C)C2)sc1C ZINC000309697004 385797708 /nfs/dbraw/zinc/79/77/08/385797708.db2.gz RRELBKOJTBWJTQ-UHFFFAOYSA-N 0 3 238.400 3.284 20 0 BGADHN Cc1csc(CN[C@H]2CC[C@@H]2C2CCC2)n1 ZINC000309697298 385796957 /nfs/dbraw/zinc/79/69/57/385796957.db2.gz LLFCLJAIMJTNNG-NEPJUHHUSA-N 0 3 236.384 3.120 20 0 BGADHN Cc1csc(CN[C@@H]2CC[C@H]2C2CCC2)n1 ZINC000309697304 191128066 /nfs/dbraw/zinc/12/80/66/191128066.db2.gz LLFCLJAIMJTNNG-NWDGAFQWSA-N 0 3 236.384 3.120 20 0 BGADHN Cc1csc(CN[C@H]2CC[C@H]2C2CCC2)n1 ZINC000309697309 385797649 /nfs/dbraw/zinc/79/76/49/385797649.db2.gz LLFCLJAIMJTNNG-RYUDHWBXSA-N 0 3 236.384 3.120 20 0 BGADHN Cc1csc(CN[C@@H]2CC[C@@H]2C2CCC2)n1 ZINC000309697630 385797957 /nfs/dbraw/zinc/79/79/57/385797957.db2.gz LLFCLJAIMJTNNG-VXGBXAGGSA-N 0 3 236.384 3.120 20 0 BGADHN c1nc(CN[C@@H]2CCCC[C@@H]2C2CC2)cs1 ZINC000309697848 385798370 /nfs/dbraw/zinc/79/83/70/385798370.db2.gz RVYYHDLDYRSHFO-CHWSQXEVSA-N 0 3 236.384 3.202 20 0 BGADHN c1nc(CN[C@H]2CCCC[C@@H]2C2CC2)cs1 ZINC000309697849 183531743 /nfs/dbraw/zinc/53/17/43/183531743.db2.gz RVYYHDLDYRSHFO-OLZOCXBDSA-N 0 3 236.384 3.202 20 0 BGADHN c1nc(CN[C@@H]2CCCC[C@H]2C2CC2)cs1 ZINC000309697850 384735502 /nfs/dbraw/zinc/73/55/02/384735502.db2.gz RVYYHDLDYRSHFO-QWHCGFSZSA-N 0 3 236.384 3.202 20 0 BGADHN c1nc(CN[C@H]2CCCC[C@H]2C2CC2)cs1 ZINC000309697851 385798334 /nfs/dbraw/zinc/79/83/34/385798334.db2.gz RVYYHDLDYRSHFO-STQMWFEESA-N 0 3 236.384 3.202 20 0 BGADHN Cc1csc(CN[C@@H]2CCC[C@H]3C[C@]32C)n1 ZINC000309698583 385796874 /nfs/dbraw/zinc/79/68/74/385796874.db2.gz LVSWDAYUABOMLA-DMDPSCGWSA-N 0 3 236.384 3.120 20 0 BGADHN Cc1csc(CN[C@@H]2CCC[C@@H]3C[C@@]32C)n1 ZINC000309698591 191128103 /nfs/dbraw/zinc/12/81/03/191128103.db2.gz LVSWDAYUABOMLA-WZRBSPASSA-N 0 3 236.384 3.120 20 0 BGADHN Cc1nc(CN[C@@H]2CC[C@@H]2C2CCC2)cs1 ZINC000309699937 491070143 /nfs/dbraw/zinc/07/01/43/491070143.db2.gz MHMOYNKVHNEACK-CHWSQXEVSA-N 0 3 236.384 3.120 20 0 BGADHN Cc1nc(CN[C@H]2CC[C@@H]2C2CCC2)cs1 ZINC000309699939 491070146 /nfs/dbraw/zinc/07/01/46/491070146.db2.gz MHMOYNKVHNEACK-OLZOCXBDSA-N 0 3 236.384 3.120 20 0 BGADHN Cc1nc(CN[C@@H]2CC[C@H]2C2CCC2)cs1 ZINC000309699940 491070141 /nfs/dbraw/zinc/07/01/41/491070141.db2.gz MHMOYNKVHNEACK-QWHCGFSZSA-N 0 3 236.384 3.120 20 0 BGADHN Cc1nc(CN[C@H]2CC[C@H]2C2CCC2)cs1 ZINC000309699942 491070151 /nfs/dbraw/zinc/07/01/51/491070151.db2.gz MHMOYNKVHNEACK-STQMWFEESA-N 0 3 236.384 3.120 20 0 BGADHN Cc1ccoc1CNC1CCC(F)(F)CC1 ZINC000309701227 384544597 /nfs/dbraw/zinc/54/45/97/384544597.db2.gz MQUCFXMYPXROTJ-UHFFFAOYSA-N 0 3 229.270 3.256 20 0 BGADHN Cc1cnc(CN[C@@H]2CCC[C@H]3C[C@]32C)s1 ZINC000309701765 259377161 /nfs/dbraw/zinc/37/71/61/259377161.db2.gz MWFISHPFPUWJJS-DMDPSCGWSA-N 0 3 236.384 3.120 20 0 BGADHN Cc1cnc(CN[C@@H]2CCC[C@@H]3C[C@@]32C)s1 ZINC000309701768 259377368 /nfs/dbraw/zinc/37/73/68/259377368.db2.gz MWFISHPFPUWJJS-WZRBSPASSA-N 0 3 236.384 3.120 20 0 BGADHN Cc1cnc(CN[C@@H]2CC[C@H]2C(C)(C)C)s1 ZINC000309702240 491154494 /nfs/dbraw/zinc/15/44/94/491154494.db2.gz NAQPBUSCBHCWOQ-GHMZBOCLSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1cnc(CN[C@H]2CC[C@H]2C(C)(C)C)s1 ZINC000309702241 491154528 /nfs/dbraw/zinc/15/45/28/491154528.db2.gz NAQPBUSCBHCWOQ-MNOVXSKESA-N 0 3 238.400 3.366 20 0 BGADHN Cc1cnc(CN[C@H]2CC[C@@H]2C(C)(C)C)s1 ZINC000309702242 491154503 /nfs/dbraw/zinc/15/45/03/491154503.db2.gz NAQPBUSCBHCWOQ-QWRGUYRKSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1cnc(CN[C@@H]2CC[C@@H]2C(C)(C)C)s1 ZINC000309702243 491154476 /nfs/dbraw/zinc/15/44/76/491154476.db2.gz NAQPBUSCBHCWOQ-WDEREUQCSA-N 0 3 238.400 3.366 20 0 BGADHN CC(C)CCCN[C@H](C)c1ccncc1F ZINC000309703981 384545349 /nfs/dbraw/zinc/54/53/49/384545349.db2.gz UPVLSHISAANVLA-LLVKDONJSA-N 0 3 224.323 3.308 20 0 BGADHN CC(C)CCCN[C@@H](C)c1ccncc1F ZINC000309703982 384745386 /nfs/dbraw/zinc/74/53/86/384745386.db2.gz UPVLSHISAANVLA-NSHDSACASA-N 0 3 224.323 3.308 20 0 BGADHN Cc1ccoc1CNC1CC(C(F)(F)F)C1 ZINC000309706067 384541470 /nfs/dbraw/zinc/54/14/70/384541470.db2.gz OLYGYOCTUAGYRU-UHFFFAOYSA-N 0 3 233.233 3.019 20 0 BGADHN Cc1ccsc1CNCC1(C(F)(F)F)CC1 ZINC000309706633 384541324 /nfs/dbraw/zinc/54/13/24/384541324.db2.gz OTJHRFVGYXHGNF-UHFFFAOYSA-N 0 3 249.301 3.489 20 0 BGADHN Cc1ccc([C@@H](NCCF)C2CCC2)cc1 ZINC000309707355 384550260 /nfs/dbraw/zinc/55/02/60/384550260.db2.gz PCSUHQJVJVAMDJ-AWEZNQCLSA-N 0 3 221.319 3.395 20 0 BGADHN Cc1ccc([C@H](NCCF)C2CCC2)cc1 ZINC000309707356 384551176 /nfs/dbraw/zinc/55/11/76/384551176.db2.gz PCSUHQJVJVAMDJ-CQSZACIVSA-N 0 3 221.319 3.395 20 0 BGADHN Cc1csc(C2(NCC3CCC3)CCC2)n1 ZINC000309707361 384550142 /nfs/dbraw/zinc/55/01/42/384550142.db2.gz PCTHNKGCFVKZLN-UHFFFAOYSA-N 0 3 236.384 3.220 20 0 BGADHN Cc1csc(C2(NC3CCCC3)CCC2)n1 ZINC000309707423 384749478 /nfs/dbraw/zinc/74/94/78/384749478.db2.gz PFIMPSSXDLMJKL-UHFFFAOYSA-N 0 3 236.384 3.363 20 0 BGADHN CC(C)C(C)(C)NCc1nc2c(s1)CCC2 ZINC000309708761 491155442 /nfs/dbraw/zinc/15/54/42/491155442.db2.gz WIAFOEUYSWBMHE-UHFFFAOYSA-N 0 3 238.400 3.156 20 0 BGADHN Cc1cc([C@@H](C)NC(C(C)C)C(C)C)no1 ZINC000309709168 491155483 /nfs/dbraw/zinc/15/54/83/491155483.db2.gz WMJRCPQLABIVNX-LLVKDONJSA-N 0 3 224.348 3.314 20 0 BGADHN Cc1cc([C@H](C)NC(C(C)C)C(C)C)no1 ZINC000309709169 491155425 /nfs/dbraw/zinc/15/54/25/491155425.db2.gz WMJRCPQLABIVNX-NSHDSACASA-N 0 3 224.348 3.314 20 0 BGADHN Cc1ccc(CNCC23CCC(CC2)C3)o1 ZINC000309709545 178605208 /nfs/dbraw/zinc/60/52/08/178605208.db2.gz QAIZQKIEJVNYQT-UHFFFAOYSA-N 0 3 219.328 3.258 20 0 BGADHN Cc1ccc(C)c2c1CCC[C@H]2NCCF ZINC000309709961 384753316 /nfs/dbraw/zinc/75/33/16/384753316.db2.gz QGPMNAJIERLAIL-CYBMUJFWSA-N 0 3 221.319 3.240 20 0 BGADHN Cc1ccc(C)c2c1CCC[C@@H]2NCCF ZINC000309709962 384553043 /nfs/dbraw/zinc/55/30/43/384553043.db2.gz QGPMNAJIERLAIL-ZDUSSCGKSA-N 0 3 221.319 3.240 20 0 BGADHN Cc1csc(C2(NCCC3CC3)CCC2)n1 ZINC000309710474 384554055 /nfs/dbraw/zinc/55/40/55/384554055.db2.gz QMKGAIHLFDKFRR-UHFFFAOYSA-N 0 3 236.384 3.220 20 0 BGADHN CCC[C@@H](CC)NCc1oc(CC)nc1C ZINC000309710487 169379509 /nfs/dbraw/zinc/37/95/09/169379509.db2.gz QMOPKNLOYNCLBT-LLVKDONJSA-N 0 3 224.348 3.214 20 0 BGADHN CCC[C@H](CC)NCc1oc(CC)nc1C ZINC000309710493 384552011 /nfs/dbraw/zinc/55/20/11/384552011.db2.gz QMOPKNLOYNCLBT-NSHDSACASA-N 0 3 224.348 3.214 20 0 BGADHN CC(C)C[C@H](NC1CSC1)c1ccccc1 ZINC000309712225 491154793 /nfs/dbraw/zinc/15/47/93/491154793.db2.gz XLBAXNWSSHQBCP-AWEZNQCLSA-N 0 3 235.396 3.479 20 0 BGADHN CC(C)C[C@@H](NC1CSC1)c1ccccc1 ZINC000309712226 491154776 /nfs/dbraw/zinc/15/47/76/491154776.db2.gz XLBAXNWSSHQBCP-CQSZACIVSA-N 0 3 235.396 3.479 20 0 BGADHN Cc1ccoc1CNCC1(C(F)(F)F)CC1 ZINC000309713705 384556001 /nfs/dbraw/zinc/55/60/01/384556001.db2.gz RVZUDFJUOGEETL-UHFFFAOYSA-N 0 3 233.233 3.020 20 0 BGADHN Cc1cc([C@H](NCCF)C2CC2)ccc1F ZINC000309715997 178263372 /nfs/dbraw/zinc/26/33/72/178263372.db2.gz SVPMRKMTSASAIE-CYBMUJFWSA-N 0 3 225.282 3.144 20 0 BGADHN Cc1cc([C@@H](NCCF)C2CC2)ccc1F ZINC000309715998 178237155 /nfs/dbraw/zinc/23/71/55/178237155.db2.gz SVPMRKMTSASAIE-ZDUSSCGKSA-N 0 3 225.282 3.144 20 0 BGADHN CC[C@@H]1CC[C@@H](C)C[C@H]1NCc1nccs1 ZINC000309716331 171032117 /nfs/dbraw/zinc/03/21/17/171032117.db2.gz TVTKKVGZQRQGQM-IJLUTSLNSA-N 0 3 238.400 3.448 20 0 BGADHN CC[C@@H]1CC[C@H](C)C[C@H]1NCc1nccs1 ZINC000309716333 171049633 /nfs/dbraw/zinc/04/96/33/171049633.db2.gz TVTKKVGZQRQGQM-QJPTWQEYSA-N 0 3 238.400 3.448 20 0 BGADHN CC[C@@H]1CC[C@H](C)C[C@@H]1NCc1nccs1 ZINC000309716335 171049608 /nfs/dbraw/zinc/04/96/08/171049608.db2.gz TVTKKVGZQRQGQM-TUAOUCFPSA-N 0 3 238.400 3.448 20 0 BGADHN CC[C@@H]1CC[C@@H](C)C[C@@H]1NCc1nccs1 ZINC000309716337 171033213 /nfs/dbraw/zinc/03/32/13/171033213.db2.gz TVTKKVGZQRQGQM-UTUOFQBUSA-N 0 3 238.400 3.448 20 0 BGADHN Cc1nc(CN[C@H]2CC[C@H]2C(C)(C)C)cs1 ZINC000309719102 491154977 /nfs/dbraw/zinc/15/49/77/491154977.db2.gz VDWYPHOSNDWEBP-NEPJUHHUSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1nc(CN[C@@H]2CC[C@@H]2C(C)(C)C)cs1 ZINC000309719103 491154954 /nfs/dbraw/zinc/15/49/54/491154954.db2.gz VDWYPHOSNDWEBP-NWDGAFQWSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1nc(CN[C@H]2CC[C@@H]2C(C)(C)C)cs1 ZINC000309719104 491154932 /nfs/dbraw/zinc/15/49/32/491154932.db2.gz VDWYPHOSNDWEBP-RYUDHWBXSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1nc(CN[C@@H]2CC[C@H]2C(C)(C)C)cs1 ZINC000309719105 491154910 /nfs/dbraw/zinc/15/49/10/491154910.db2.gz VDWYPHOSNDWEBP-VXGBXAGGSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1cc(F)ccc1CN[C@@H]1CSC1(C)C ZINC000309719417 178087298 /nfs/dbraw/zinc/08/72/98/178087298.db2.gz VLQITLPWOLVWAL-GFCCVEGCSA-N 0 3 239.359 3.118 20 0 BGADHN Cc1cc(F)ccc1CN[C@H]1CSC1(C)C ZINC000309719419 178086703 /nfs/dbraw/zinc/08/67/03/178086703.db2.gz VLQITLPWOLVWAL-LBPRGKRZSA-N 0 3 239.359 3.118 20 0 BGADHN CCC[C@H](CC)NCc1nnc(C(C)C)s1 ZINC000309719731 384563682 /nfs/dbraw/zinc/56/36/82/384563682.db2.gz VNBGFZHIHCGKGY-JTQLQIEISA-N 0 3 241.404 3.330 20 0 BGADHN CCC[C@@H](CC)NCc1nnc(C(C)C)s1 ZINC000309719732 169379082 /nfs/dbraw/zinc/37/90/82/169379082.db2.gz VNBGFZHIHCGKGY-SNVBAGLBSA-N 0 3 241.404 3.330 20 0 BGADHN Cc1nc(C(C)(C)NCCCCF)sc1C ZINC000309722131 384565926 /nfs/dbraw/zinc/56/59/26/384565926.db2.gz WHJDXUWIGYAISB-UHFFFAOYSA-N 0 3 244.379 3.334 20 0 BGADHN Cc1ccoc1CN[C@H]1CCCC(F)(F)C1 ZINC000309724325 384767078 /nfs/dbraw/zinc/76/70/78/384767078.db2.gz XIALPOAOMVEJCO-JTQLQIEISA-N 0 3 229.270 3.256 20 0 BGADHN Cc1ccoc1CN[C@@H]1CCCC(F)(F)C1 ZINC000309724328 384767152 /nfs/dbraw/zinc/76/71/52/384767152.db2.gz XIALPOAOMVEJCO-SNVBAGLBSA-N 0 3 229.270 3.256 20 0 BGADHN CC[C@H](C)CN[C@@H]1COc2cccc(Cl)c21 ZINC000309724721 388463015 /nfs/dbraw/zinc/46/30/15/388463015.db2.gz XLISDOHWWPPQRT-GXSJLCMTSA-N 0 3 239.746 3.409 20 0 BGADHN CC[C@@H](C)CN[C@H]1COc2cccc(Cl)c21 ZINC000309724722 388463189 /nfs/dbraw/zinc/46/31/89/388463189.db2.gz XLISDOHWWPPQRT-KOLCDFICSA-N 0 3 239.746 3.409 20 0 BGADHN CC[C@@H](C)CN[C@@H]1COc2cccc(Cl)c21 ZINC000309724723 388462988 /nfs/dbraw/zinc/46/29/88/388462988.db2.gz XLISDOHWWPPQRT-MWLCHTKSSA-N 0 3 239.746 3.409 20 0 BGADHN CC[C@H](C)CN[C@H]1COc2cccc(Cl)c21 ZINC000309724724 388462922 /nfs/dbraw/zinc/46/29/22/388462922.db2.gz XLISDOHWWPPQRT-ONGXEEELSA-N 0 3 239.746 3.409 20 0 BGADHN Cc1ccc(F)c(CN[C@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000309725010 370249522 /nfs/dbraw/zinc/24/95/22/370249522.db2.gz XMAWQJHIFBHNBC-IMRBUKKESA-N 0 3 219.303 3.022 20 0 BGADHN Cc1csc(CNC2CCC(F)(F)CC2)n1 ZINC000309725504 384559339 /nfs/dbraw/zinc/55/93/39/384559339.db2.gz XQRKNRVXOXBIQP-UHFFFAOYSA-N 0 3 246.326 3.119 20 0 BGADHN Cc1ncc(CN[C@@H]2CCCC(F)(F)C2)s1 ZINC000309726755 180156991 /nfs/dbraw/zinc/15/69/91/180156991.db2.gz YHGOIRWYZIVUGD-SECBINFHSA-N 0 3 246.326 3.119 20 0 BGADHN Cc1ncc(CN[C@H]2CCCC(F)(F)C2)s1 ZINC000309726756 180158212 /nfs/dbraw/zinc/15/82/12/180158212.db2.gz YHGOIRWYZIVUGD-VIFPVBQESA-N 0 3 246.326 3.119 20 0 BGADHN C[C@H](CCc1ccsc1)NCc1ccco1 ZINC000309726790 384560742 /nfs/dbraw/zinc/56/07/42/384560742.db2.gz DHKZBXXCWNSRKO-LLVKDONJSA-N 0 3 235.352 3.452 20 0 BGADHN C[C@@H](CCc1ccsc1)NCc1ccco1 ZINC000309726791 384560110 /nfs/dbraw/zinc/56/01/10/384560110.db2.gz DHKZBXXCWNSRKO-NSHDSACASA-N 0 3 235.352 3.452 20 0 BGADHN Cc1ccc(CNCC2(C(F)(F)F)CC2)o1 ZINC000309727839 187310406 /nfs/dbraw/zinc/31/04/06/187310406.db2.gz YPMNHRPTSBHNPE-UHFFFAOYSA-N 0 3 233.233 3.020 20 0 BGADHN Cc1nnsc1CN[C@@H](C)CCCC(C)C ZINC000309728027 180457276 /nfs/dbraw/zinc/45/72/76/180457276.db2.gz DPOOCPNTQNWEBD-JTQLQIEISA-N 0 3 241.404 3.151 20 0 BGADHN Cc1nnsc1CN[C@H](C)CCCC(C)C ZINC000309728028 384560667 /nfs/dbraw/zinc/56/06/67/384560667.db2.gz DPOOCPNTQNWEBD-SNVBAGLBSA-N 0 3 241.404 3.151 20 0 BGADHN Cc1ccc2c(c1)[C@H](NC1CSC1)CCC2 ZINC000309729049 411219513 /nfs/dbraw/zinc/21/95/13/411219513.db2.gz ZBWFETSOUWNSAI-CQSZACIVSA-N 0 3 233.380 3.077 20 0 BGADHN C[C@H](CF)NCc1ccc2c(c1)CCCC2 ZINC000309732809 384573459 /nfs/dbraw/zinc/57/34/59/384573459.db2.gz FPJRQRNURYTWKL-LLVKDONJSA-N 0 3 221.319 3.013 20 0 BGADHN C[C@@H](CF)NCc1ccc2c(c1)CCCC2 ZINC000309732810 384573151 /nfs/dbraw/zinc/57/31/51/384573151.db2.gz FPJRQRNURYTWKL-NSHDSACASA-N 0 3 221.319 3.013 20 0 BGADHN C/C=C/CN[C@H](C)c1ccc2c(c1)CCC2 ZINC000309738119 491155329 /nfs/dbraw/zinc/15/53/29/491155329.db2.gz CSRMKNBUNGBVKF-AAOUONPWSA-N 0 3 215.340 3.402 20 0 BGADHN C/C=C\CN[C@@H](C)c1ccc2c(c1)CCC2 ZINC000309738121 491155276 /nfs/dbraw/zinc/15/52/76/491155276.db2.gz CSRMKNBUNGBVKF-MVZIDQBPSA-N 0 3 215.340 3.402 20 0 BGADHN C/C=C/CN[C@@H](C)c1ccc2c(c1)CCC2 ZINC000309738122 491155334 /nfs/dbraw/zinc/15/53/34/491155334.db2.gz CSRMKNBUNGBVKF-PCAWENJQSA-N 0 3 215.340 3.402 20 0 BGADHN C/C=C\CN[C@H](C)c1ccc2c(c1)CCC2 ZINC000309738124 491155325 /nfs/dbraw/zinc/15/53/25/491155325.db2.gz CSRMKNBUNGBVKF-VSQXVHSFSA-N 0 3 215.340 3.402 20 0 BGADHN Cc1cc([C@@H](C)N[C@H](C)C2CCCC2)no1 ZINC000309741192 178232732 /nfs/dbraw/zinc/23/27/32/178232732.db2.gz DJOMCJIBTSYMQX-GHMZBOCLSA-N 0 3 222.332 3.212 20 0 BGADHN Cc1cc([C@@H](C)N[C@@H](C)C2CCCC2)no1 ZINC000309741193 178230636 /nfs/dbraw/zinc/23/06/36/178230636.db2.gz DJOMCJIBTSYMQX-WDEREUQCSA-N 0 3 222.332 3.212 20 0 BGADHN C[C@H](CF)NCc1ccc(C(C)(C)C)cc1 ZINC000309745771 388463170 /nfs/dbraw/zinc/46/31/70/388463170.db2.gz JBQNGCQNAUKPKW-LLVKDONJSA-N 0 3 223.335 3.432 20 0 BGADHN C[C@@H](CF)NCc1ccc(C(C)(C)C)cc1 ZINC000309745773 388463253 /nfs/dbraw/zinc/46/32/53/388463253.db2.gz JBQNGCQNAUKPKW-NSHDSACASA-N 0 3 223.335 3.432 20 0 BGADHN CCCC[C@@H](CCC)NCc1snnc1C ZINC000309747462 488167401 /nfs/dbraw/zinc/16/74/01/488167401.db2.gz JODKJBLSKAJIPR-LLVKDONJSA-N 0 3 241.404 3.295 20 0 BGADHN CCCC[C@H](CCC)NCc1snnc1C ZINC000309747463 488166968 /nfs/dbraw/zinc/16/69/68/488166968.db2.gz JODKJBLSKAJIPR-NSHDSACASA-N 0 3 241.404 3.295 20 0 BGADHN CC1(NCc2nccs2)CCC(F)(F)CC1 ZINC000309755623 491155669 /nfs/dbraw/zinc/15/56/69/491155669.db2.gz HNRWRNBPTDIAGZ-UHFFFAOYSA-N 0 3 246.326 3.201 20 0 BGADHN CC1(C)CCC[C@@H](CNCc2cscn2)C1 ZINC000309756803 347156020 /nfs/dbraw/zinc/15/60/20/347156020.db2.gz HTIFYXRDPCDODE-LLVKDONJSA-N 0 3 238.400 3.449 20 0 BGADHN CC1(C)CCC[C@H](CNCc2cscn2)C1 ZINC000309756804 344453191 /nfs/dbraw/zinc/45/31/91/344453191.db2.gz HTIFYXRDPCDODE-NSHDSACASA-N 0 3 238.400 3.449 20 0 BGADHN CC1(C)SC[C@H]1NC/C=C\c1ccccc1 ZINC000309757298 388464024 /nfs/dbraw/zinc/46/40/24/388464024.db2.gz HUTLJWMLWMWZBW-OYVUYXNMSA-N 0 3 233.380 3.183 20 0 BGADHN CC1(C)SC[C@@H]1NC/C=C/c1ccccc1 ZINC000309757299 388463825 /nfs/dbraw/zinc/46/38/25/388463825.db2.gz HUTLJWMLWMWZBW-PPGNKHEKSA-N 0 3 233.380 3.183 20 0 BGADHN CC1(C)SC[C@@H]1NC/C=C\c1ccccc1 ZINC000309757301 388463948 /nfs/dbraw/zinc/46/39/48/388463948.db2.gz HUTLJWMLWMWZBW-XURPKSDJSA-N 0 3 233.380 3.183 20 0 BGADHN CC1(C)SC[C@H]1NC/C=C/c1ccccc1 ZINC000309757304 388464160 /nfs/dbraw/zinc/46/41/60/388464160.db2.gz HUTLJWMLWMWZBW-YSKGHYERSA-N 0 3 233.380 3.183 20 0 BGADHN CC1(C)C[C@@H](NC2CSC2)c2ccccc21 ZINC000309760273 491155730 /nfs/dbraw/zinc/15/57/30/491155730.db2.gz INCOPULJVFSJLH-CYBMUJFWSA-N 0 3 233.380 3.114 20 0 BGADHN CC1(C)C[C@H](NC2CSC2)c2ccccc21 ZINC000309760274 491155711 /nfs/dbraw/zinc/15/57/11/491155711.db2.gz INCOPULJVFSJLH-ZDUSSCGKSA-N 0 3 233.380 3.114 20 0 BGADHN C/C=C/CN[C@@H](c1ccc(F)cc1)C1CC1 ZINC000309760332 491155713 /nfs/dbraw/zinc/15/57/13/491155713.db2.gz IOSMATQOLLNKOP-BAABZTOOSA-N 0 3 219.303 3.443 20 0 BGADHN C/C=C/CN[C@H](c1ccc(F)cc1)C1CC1 ZINC000309760333 491155683 /nfs/dbraw/zinc/15/56/83/491155683.db2.gz IOSMATQOLLNKOP-HSWBROFVSA-N 0 3 219.303 3.443 20 0 BGADHN C/C=C\CN[C@@H](c1ccc(F)cc1)C1CC1 ZINC000309760335 491155676 /nfs/dbraw/zinc/15/56/76/491155676.db2.gz IOSMATQOLLNKOP-PYLYLYNFSA-N 0 3 219.303 3.443 20 0 BGADHN C/C=C\CN[C@H](c1ccc(F)cc1)C1CC1 ZINC000309760614 491058936 /nfs/dbraw/zinc/05/89/36/491058936.db2.gz IOSMATQOLLNKOP-SFAKSCPVSA-N 0 3 219.303 3.443 20 0 BGADHN Cc1noc(C)c1[C@@H](C)NCC1(C)CCC1 ZINC000309761555 411227712 /nfs/dbraw/zinc/22/77/12/411227712.db2.gz MRDLKAFBTATGPW-SECBINFHSA-N 0 3 222.332 3.132 20 0 BGADHN Cc1noc(C)c1[C@H](C)NCC1(C)CCC1 ZINC000309761561 411227804 /nfs/dbraw/zinc/22/78/04/411227804.db2.gz MRDLKAFBTATGPW-VIFPVBQESA-N 0 3 222.332 3.132 20 0 BGADHN CC1(CCNCc2cccc(F)c2F)CC1 ZINC000309762584 326167538 /nfs/dbraw/zinc/16/75/38/326167538.db2.gz JACTTZLCYVIAEJ-UHFFFAOYSA-N 0 3 225.282 3.245 20 0 BGADHN Cc1nnc([C@H](C)NC[C@@H](C)C(C)(C)C)s1 ZINC000309771749 487610437 /nfs/dbraw/zinc/61/04/37/487610437.db2.gz OUIBMWCJRCSDAW-BDAKNGLRSA-N 0 3 241.404 3.179 20 0 BGADHN Cc1nnc([C@@H](C)NC[C@H](C)C(C)(C)C)s1 ZINC000309771750 487724880 /nfs/dbraw/zinc/72/48/80/487724880.db2.gz OUIBMWCJRCSDAW-DTWKUNHWSA-N 0 3 241.404 3.179 20 0 BGADHN Cc1nnc([C@H](C)NC[C@H](C)C(C)(C)C)s1 ZINC000309771751 487610201 /nfs/dbraw/zinc/61/02/01/487610201.db2.gz OUIBMWCJRCSDAW-IUCAKERBSA-N 0 3 241.404 3.179 20 0 BGADHN Cc1nnc([C@@H](C)NC[C@@H](C)C(C)(C)C)s1 ZINC000309771752 487610176 /nfs/dbraw/zinc/61/01/76/487610176.db2.gz OUIBMWCJRCSDAW-RKDXNWHRSA-N 0 3 241.404 3.179 20 0 BGADHN Cc1csc(C2(NC3CC(C)C3)CCC2)n1 ZINC000309772334 384595695 /nfs/dbraw/zinc/59/56/95/384595695.db2.gz KTFYZRRZJCHRAX-UHFFFAOYSA-N 0 3 236.384 3.219 20 0 BGADHN CC(C)=CCC[C@@H](C)N[C@@H](C)c1ccon1 ZINC000309774570 388463865 /nfs/dbraw/zinc/46/38/65/388463865.db2.gz PIJKUJPGSHWDIN-NEPJUHHUSA-N 0 3 222.332 3.460 20 0 BGADHN CC(C)=CCC[C@H](C)N[C@H](C)c1ccon1 ZINC000309774572 388464021 /nfs/dbraw/zinc/46/40/21/388464021.db2.gz PIJKUJPGSHWDIN-NWDGAFQWSA-N 0 3 222.332 3.460 20 0 BGADHN CC(C)=CCC[C@H](C)N[C@@H](C)c1ccon1 ZINC000309774573 388464188 /nfs/dbraw/zinc/46/41/88/388464188.db2.gz PIJKUJPGSHWDIN-RYUDHWBXSA-N 0 3 222.332 3.460 20 0 BGADHN CC(C)=CCC[C@@H](C)N[C@H](C)c1ccon1 ZINC000309774574 388464263 /nfs/dbraw/zinc/46/42/63/388464263.db2.gz PIJKUJPGSHWDIN-VXGBXAGGSA-N 0 3 222.332 3.460 20 0 BGADHN Cc1cc([C@@H](C)N[C@@H](C)CCC2CC2)no1 ZINC000309777530 178231881 /nfs/dbraw/zinc/23/18/81/178231881.db2.gz QFKVDBCHTJBVDC-GXSJLCMTSA-N 0 3 222.332 3.212 20 0 BGADHN Cc1cc([C@@H](C)N[C@H](C)CCC2CC2)no1 ZINC000309777532 178233366 /nfs/dbraw/zinc/23/33/66/178233366.db2.gz QFKVDBCHTJBVDC-MWLCHTKSSA-N 0 3 222.332 3.212 20 0 BGADHN CC1(CNCc2ccon2)CCCCCC1 ZINC000309786241 491156552 /nfs/dbraw/zinc/15/65/52/491156552.db2.gz OBQSSLBYYVCYTK-UHFFFAOYSA-N 0 3 222.332 3.125 20 0 BGADHN C[C@H]1CCc2ccccc2[C@H]1NC1CSC1 ZINC000309787413 491156545 /nfs/dbraw/zinc/15/65/45/491156545.db2.gz OKJLBFFZFNGASC-HZMBPMFUSA-N 0 3 233.380 3.015 20 0 BGADHN C[C@H]1CCc2ccccc2[C@@H]1NC1CSC1 ZINC000309787414 491156539 /nfs/dbraw/zinc/15/65/39/491156539.db2.gz OKJLBFFZFNGASC-IINYFYTJSA-N 0 3 233.380 3.015 20 0 BGADHN C[C@@H]1CCc2ccccc2[C@@H]1NC1CSC1 ZINC000309787415 491156566 /nfs/dbraw/zinc/15/65/66/491156566.db2.gz OKJLBFFZFNGASC-QMTHXVAHSA-N 0 3 233.380 3.015 20 0 BGADHN C[C@@H]1CCc2ccccc2[C@H]1NC1CSC1 ZINC000309787416 491156528 /nfs/dbraw/zinc/15/65/28/491156528.db2.gz OKJLBFFZFNGASC-YGRLFVJLSA-N 0 3 233.380 3.015 20 0 BGADHN CC1(CCNCc2ccc(F)cc2F)CC1 ZINC000309787610 326168527 /nfs/dbraw/zinc/16/85/27/326168527.db2.gz OMKQUGDZFYYFLQ-UHFFFAOYSA-N 0 3 225.282 3.245 20 0 BGADHN CCC(C)(C)NCc1nc2c(s1)CCCC2 ZINC000309788038 491156543 /nfs/dbraw/zinc/15/65/43/491156543.db2.gz ONQHLNRPAIXHNF-UHFFFAOYSA-N 0 3 238.400 3.300 20 0 BGADHN C[C@@H](NCc1ncc(C(C)(C)C)s1)C1CC1 ZINC000309790267 384607879 /nfs/dbraw/zinc/60/78/79/384607879.db2.gz PAWVDRROANSGOK-SECBINFHSA-N 0 3 238.400 3.329 20 0 BGADHN C[C@H](NCc1ncc(C(C)(C)C)s1)C1CC1 ZINC000309790268 384607898 /nfs/dbraw/zinc/60/78/98/384607898.db2.gz PAWVDRROANSGOK-VIFPVBQESA-N 0 3 238.400 3.329 20 0 BGADHN CCC(C)(C)CCN[C@H](CO)c1ccsc1 ZINC000309790940 168278129 /nfs/dbraw/zinc/27/81/29/168278129.db2.gz PEWCZNIZXATIOE-GFCCVEGCSA-N 0 3 241.400 3.197 20 0 BGADHN CCC(C)(C)CCN[C@@H](CO)c1ccsc1 ZINC000309790942 168278346 /nfs/dbraw/zinc/27/83/46/168278346.db2.gz PEWCZNIZXATIOE-LBPRGKRZSA-N 0 3 241.400 3.197 20 0 BGADHN C[C@@H]1C[C@@H]1CNCc1cc(F)c(Cl)cc1F ZINC000309797654 388464863 /nfs/dbraw/zinc/46/48/63/388464863.db2.gz QMNDKHDAIBVKKM-HTQZYQBOSA-N 0 3 245.700 3.364 20 0 BGADHN C[C@H]1C[C@@H]1CNCc1cc(F)c(Cl)cc1F ZINC000309797656 388464469 /nfs/dbraw/zinc/46/44/69/388464469.db2.gz QMNDKHDAIBVKKM-JGVFFNPUSA-N 0 3 245.700 3.364 20 0 BGADHN C[C@@H]1C[C@H]1CNCc1cc(F)c(Cl)cc1F ZINC000309797657 388464825 /nfs/dbraw/zinc/46/48/25/388464825.db2.gz QMNDKHDAIBVKKM-SFYZADRCSA-N 0 3 245.700 3.364 20 0 BGADHN C[C@H]1C[C@H]1CNCc1cc(F)c(Cl)cc1F ZINC000309797659 388464522 /nfs/dbraw/zinc/46/45/22/388464522.db2.gz QMNDKHDAIBVKKM-YUMQZZPRSA-N 0 3 245.700 3.364 20 0 BGADHN CC1CC(NCc2ncc(C(C)(C)C)s2)C1 ZINC000309799372 168146616 /nfs/dbraw/zinc/14/66/16/168146616.db2.gz QXFYJDAXUSXVHV-UHFFFAOYSA-N 0 3 238.400 3.329 20 0 BGADHN C[C@@H]1C[C@H](N[C@H]2CSc3ccccc32)[C@@H]1C ZINC000309800606 384418185 /nfs/dbraw/zinc/41/81/85/384418185.db2.gz RCXINPSFQCOZHQ-AAXDQBDMSA-N 0 3 233.380 3.468 20 0 BGADHN C[C@@H]1C[C@H](N[C@@H]2CSc3ccccc32)[C@H]1C ZINC000309800613 256527573 /nfs/dbraw/zinc/52/75/73/256527573.db2.gz RCXINPSFQCOZHQ-RSLMWUCJSA-N 0 3 233.380 3.468 20 0 BGADHN C[C@@H]1C[C@H](N[C@H]2CSc3ccccc32)[C@H]1C ZINC000309800620 384416747 /nfs/dbraw/zinc/41/67/47/384416747.db2.gz RCXINPSFQCOZHQ-URBCHYCLSA-N 0 3 233.380 3.468 20 0 BGADHN C[C@@H]1C[C@H](N[C@@H]2CSc3ccccc32)[C@@H]1C ZINC000309800626 384418032 /nfs/dbraw/zinc/41/80/32/384418032.db2.gz RCXINPSFQCOZHQ-VCDKRKBESA-N 0 3 233.380 3.468 20 0 BGADHN C[C@H](CCNCC1(F)CC1)c1ccccc1 ZINC000309805312 387344074 /nfs/dbraw/zinc/34/40/74/387344074.db2.gz XJUOWSCICCDXNC-GFCCVEGCSA-N 0 3 221.319 3.272 20 0 BGADHN C[C@@H](CCNCC1(F)CC1)c1ccccc1 ZINC000309805313 323607641 /nfs/dbraw/zinc/60/76/41/323607641.db2.gz XJUOWSCICCDXNC-LBPRGKRZSA-N 0 3 221.319 3.272 20 0 BGADHN CC1(C)CC[C@H]1NCc1nc(C2CC2)cs1 ZINC000309808486 187484425 /nfs/dbraw/zinc/48/44/25/187484425.db2.gz STVXFNHHLPIXIF-LLVKDONJSA-N 0 3 236.384 3.299 20 0 BGADHN CC1(C)CC[C@@H]1NCc1nc(C2CC2)cs1 ZINC000309808487 347173256 /nfs/dbraw/zinc/17/32/56/347173256.db2.gz STVXFNHHLPIXIF-NSHDSACASA-N 0 3 236.384 3.299 20 0 BGADHN CC1(C)CC[C@H]1NCc1scnc1C1CC1 ZINC000309809071 491156415 /nfs/dbraw/zinc/15/64/15/491156415.db2.gz SZNQPUJGGXVQKJ-LLVKDONJSA-N 0 3 236.384 3.299 20 0 BGADHN CC1(C)CC[C@@H]1NCc1scnc1C1CC1 ZINC000309809072 491156400 /nfs/dbraw/zinc/15/64/00/491156400.db2.gz SZNQPUJGGXVQKJ-NSHDSACASA-N 0 3 236.384 3.299 20 0 BGADHN CCC(C)(C)CCN[C@H](C)c1cc(C)on1 ZINC000309809415 487724709 /nfs/dbraw/zinc/72/47/09/487724709.db2.gz TWDNEVPINPNDNY-LLVKDONJSA-N 0 3 224.348 3.460 20 0 BGADHN CCC(C)(C)CCN[C@@H](C)c1cc(C)on1 ZINC000309809417 487724592 /nfs/dbraw/zinc/72/45/92/487724592.db2.gz TWDNEVPINPNDNY-NSHDSACASA-N 0 3 224.348 3.460 20 0 BGADHN C[C@H]1CC[C@@H](NCc2csc(C3CC3)n2)C1 ZINC000309813869 632672787 /nfs/dbraw/zinc/67/27/87/632672787.db2.gz UXJYIMCFJUQASD-GXSJLCMTSA-N 0 3 236.384 3.299 20 0 BGADHN C[C@@H]1CC[C@H](NCc2csc(C3CC3)n2)C1 ZINC000309813870 633773516 /nfs/dbraw/zinc/77/35/16/633773516.db2.gz UXJYIMCFJUQASD-KOLCDFICSA-N 0 3 236.384 3.299 20 0 BGADHN C[C@@H]1CC[C@@H](NCc2csc(C3CC3)n2)C1 ZINC000309813871 634014470 /nfs/dbraw/zinc/01/44/70/634014470.db2.gz UXJYIMCFJUQASD-MWLCHTKSSA-N 0 3 236.384 3.299 20 0 BGADHN C[C@H]1CC[C@H](NCc2csc(C3CC3)n2)C1 ZINC000309813872 633774025 /nfs/dbraw/zinc/77/40/25/633774025.db2.gz UXJYIMCFJUQASD-ONGXEEELSA-N 0 3 236.384 3.299 20 0 BGADHN C[C@@H](NC[C@@H](C)C1CC1)c1ccc(Cl)cn1 ZINC000309814006 491157154 /nfs/dbraw/zinc/15/71/54/491157154.db2.gz ZWLWGUPLEJRKDE-NXEZZACHSA-N 0 3 238.762 3.432 20 0 BGADHN C[C@@H](CN[C@@H](C)c1ccc(Cl)cn1)C1CC1 ZINC000309814007 491157166 /nfs/dbraw/zinc/15/71/66/491157166.db2.gz ZWLWGUPLEJRKDE-UWVGGRQHSA-N 0 3 238.762 3.432 20 0 BGADHN C[C@@H](CN[C@H](C)c1ccc(Cl)cn1)C1CC1 ZINC000309814008 491157142 /nfs/dbraw/zinc/15/71/42/491157142.db2.gz ZWLWGUPLEJRKDE-VHSXEESVSA-N 0 3 238.762 3.432 20 0 BGADHN C[C@H](CN[C@@H](C)c1ccc(Cl)cn1)C1CC1 ZINC000309814009 491157129 /nfs/dbraw/zinc/15/71/29/491157129.db2.gz ZWLWGUPLEJRKDE-ZJUUUORDSA-N 0 3 238.762 3.432 20 0 BGADHN C/C=C/CN[C@H](C)c1cc(F)c(F)c(F)c1 ZINC000309818591 491157256 /nfs/dbraw/zinc/15/72/56/491157256.db2.gz VVNJQIMGOZZZTF-MPJRPATESA-N 0 3 229.245 3.331 20 0 BGADHN C/C=C/CN[C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000309818592 491157235 /nfs/dbraw/zinc/15/72/35/491157235.db2.gz VVNJQIMGOZZZTF-RTMURIBGSA-N 0 3 229.245 3.331 20 0 BGADHN C/C=C\CN[C@H](C)c1cc(F)c(F)c(F)c1 ZINC000309818593 491157215 /nfs/dbraw/zinc/15/72/15/491157215.db2.gz VVNJQIMGOZZZTF-TUUFMJSCSA-N 0 3 229.245 3.331 20 0 BGADHN C/C=C\CN[C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000309818594 491059090 /nfs/dbraw/zinc/05/90/90/491059090.db2.gz VVNJQIMGOZZZTF-VEMNSZJBSA-N 0 3 229.245 3.331 20 0 BGADHN C[C@@H](NCc1ccc(Cl)cn1)[C@H]1CC1(C)C ZINC000309822503 384638572 /nfs/dbraw/zinc/63/85/72/384638572.db2.gz WRRJWKMQHZEFHN-BXKDBHETSA-N 0 3 238.762 3.259 20 0 BGADHN C[C@H](NCc1ccc(Cl)cn1)[C@@H]1CC1(C)C ZINC000309822505 384638792 /nfs/dbraw/zinc/63/87/92/384638792.db2.gz WRRJWKMQHZEFHN-CABZTGNLSA-N 0 3 238.762 3.259 20 0 BGADHN C[C@H](NCc1ccc(Cl)cn1)[C@H]1CC1(C)C ZINC000309822507 384640433 /nfs/dbraw/zinc/64/04/33/384640433.db2.gz WRRJWKMQHZEFHN-JOYOIKCWSA-N 0 3 238.762 3.259 20 0 BGADHN C[C@@H](NCc1ccc(Cl)cn1)[C@@H]1CC1(C)C ZINC000309822509 384640563 /nfs/dbraw/zinc/64/05/63/384640563.db2.gz WRRJWKMQHZEFHN-SKDRFNHKSA-N 0 3 238.762 3.259 20 0 BGADHN CC1(CNCc2cnc(C3CCC3)s2)CC1 ZINC000309828632 168044207 /nfs/dbraw/zinc/04/42/07/168044207.db2.gz XXSWSHGSJMXERX-UHFFFAOYSA-N 0 3 236.384 3.300 20 0 BGADHN C[C@@H](CF)N[C@@H]1CC[C@H](c2ccccc2)C1 ZINC000309829559 411260563 /nfs/dbraw/zinc/26/05/63/411260563.db2.gz JOMXREONAAJYNM-FPMFFAJLSA-N 0 3 221.319 3.270 20 0 BGADHN C[C@@H](CF)N[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000309829566 411260558 /nfs/dbraw/zinc/26/05/58/411260558.db2.gz JOMXREONAAJYNM-IACUBPJLSA-N 0 3 221.319 3.270 20 0 BGADHN C[C@@H](CF)N[C@H]1CC[C@H](c2ccccc2)C1 ZINC000309829570 411260524 /nfs/dbraw/zinc/26/05/24/411260524.db2.gz JOMXREONAAJYNM-UBHSHLNASA-N 0 3 221.319 3.270 20 0 BGADHN C[C@@H](CF)N[C@H]1CC[C@@H](c2ccccc2)C1 ZINC000309829573 411260587 /nfs/dbraw/zinc/26/05/87/411260587.db2.gz JOMXREONAAJYNM-YUTCNCBUSA-N 0 3 221.319 3.270 20 0 BGADHN C[C@@H](NCc1cocn1)C1CCCCCC1 ZINC000309834470 491156903 /nfs/dbraw/zinc/15/69/03/491156903.db2.gz ZSKQTEJZJFLUKQ-LLVKDONJSA-N 0 3 222.332 3.123 20 0 BGADHN C[C@H](NCc1cocn1)C1CCCCCC1 ZINC000309834471 491156884 /nfs/dbraw/zinc/15/68/84/491156884.db2.gz ZSKQTEJZJFLUKQ-NSHDSACASA-N 0 3 222.332 3.123 20 0 BGADHN C[C@H](N[C@@H]1CC[C@@H]1C)c1ccc(F)cc1F ZINC000309835677 176902623 /nfs/dbraw/zinc/90/26/23/176902623.db2.gz BAQSHVMKADKYER-MWODSPESSA-N 0 3 225.282 3.414 20 0 BGADHN C[C@H](N[C@H]1CC[C@@H]1C)c1ccc(F)cc1F ZINC000309835681 384656819 /nfs/dbraw/zinc/65/68/19/384656819.db2.gz BAQSHVMKADKYER-RVBZMBCESA-N 0 3 225.282 3.414 20 0 BGADHN C[C@H](N[C@@H]1CC[C@H]1C)c1ccc(F)cc1F ZINC000309835688 384657807 /nfs/dbraw/zinc/65/78/07/384657807.db2.gz BAQSHVMKADKYER-VYUIOLGVSA-N 0 3 225.282 3.414 20 0 BGADHN C[C@H](N[C@H]1CC[C@H]1C)c1ccc(F)cc1F ZINC000309835691 176927533 /nfs/dbraw/zinc/92/75/33/176927533.db2.gz BAQSHVMKADKYER-ZDMBXUJBSA-N 0 3 225.282 3.414 20 0 BGADHN Cc1cnc(CN[C@@H]2CC3CCC2CC3)s1 ZINC000309837412 384660895 /nfs/dbraw/zinc/66/08/95/384660895.db2.gz MQAGAPIZBDJSME-HTAVTVPLSA-N 0 3 236.384 3.120 20 0 BGADHN Cc1cnc(CN[C@H]2CC3CCC2CC3)s1 ZINC000309837414 384659088 /nfs/dbraw/zinc/65/90/88/384659088.db2.gz MQAGAPIZBDJSME-MCIGGMRASA-N 0 3 236.384 3.120 20 0 BGADHN C[C@@H](NC[C@@H]1C[C@H]1C)c1ccc(F)cc1F ZINC000309837576 388467080 /nfs/dbraw/zinc/46/70/80/388467080.db2.gz BSDJJMPAFJJTIG-BBBLOLIVSA-N 0 3 225.282 3.271 20 0 BGADHN C[C@@H](NC[C@H]1C[C@H]1C)c1ccc(F)cc1F ZINC000309837578 388466531 /nfs/dbraw/zinc/46/65/31/388466531.db2.gz BSDJJMPAFJJTIG-OPRDCNLKSA-N 0 3 225.282 3.271 20 0 BGADHN COc1cc(Cl)ccc1CNC[C@H]1C[C@@H]1C ZINC000309838702 384434481 /nfs/dbraw/zinc/43/44/81/384434481.db2.gz BXFNTJBUHSMGET-GXSJLCMTSA-N 0 3 239.746 3.094 20 0 BGADHN COc1cc(Cl)ccc1CNC[C@@H]1C[C@H]1C ZINC000309838703 384434782 /nfs/dbraw/zinc/43/47/82/384434782.db2.gz BXFNTJBUHSMGET-KOLCDFICSA-N 0 3 239.746 3.094 20 0 BGADHN COc1cc(Cl)ccc1CNC[C@H]1C[C@H]1C ZINC000309838704 384435293 /nfs/dbraw/zinc/43/52/93/384435293.db2.gz BXFNTJBUHSMGET-MWLCHTKSSA-N 0 3 239.746 3.094 20 0 BGADHN COc1cc(Cl)ccc1CNC[C@@H]1C[C@@H]1C ZINC000309838706 384435788 /nfs/dbraw/zinc/43/57/88/384435788.db2.gz BXFNTJBUHSMGET-ONGXEEELSA-N 0 3 239.746 3.094 20 0 BGADHN Cc1nnc(CNC(C)(C)CC(C)(C)C)s1 ZINC000309839303 384655797 /nfs/dbraw/zinc/65/57/97/384655797.db2.gz CHXHWCFDUWIINY-UHFFFAOYSA-N 0 3 241.404 3.151 20 0 BGADHN Cc1ccc(CN[C@@H]2CSC2(C)C)c(C)c1 ZINC000309839572 388466552 /nfs/dbraw/zinc/46/65/52/388466552.db2.gz CKLRCUOUVDTQQV-CYBMUJFWSA-N 0 3 235.396 3.287 20 0 BGADHN Cc1ccc(CN[C@H]2CSC2(C)C)c(C)c1 ZINC000309839573 388467047 /nfs/dbraw/zinc/46/70/47/388467047.db2.gz CKLRCUOUVDTQQV-ZDUSSCGKSA-N 0 3 235.396 3.287 20 0 BGADHN Cc1ccc(CN[C@@H]2CSC2(C)C)cc1C ZINC000309840693 388466985 /nfs/dbraw/zinc/46/69/85/388466985.db2.gz CYRDJHBMOPEYAZ-CYBMUJFWSA-N 0 3 235.396 3.287 20 0 BGADHN Cc1ccc(CN[C@H]2CSC2(C)C)cc1C ZINC000309840697 388466582 /nfs/dbraw/zinc/46/65/82/388466582.db2.gz CYRDJHBMOPEYAZ-ZDUSSCGKSA-N 0 3 235.396 3.287 20 0 BGADHN CSCCNc1ccnc2ccc(C)cc21 ZINC000309840753 370267608 /nfs/dbraw/zinc/26/76/08/370267608.db2.gz DAQHMDCBSJLOJK-UHFFFAOYSA-N 0 3 232.352 3.318 20 0 BGADHN Cc1ccc(F)c(CN[C@H]2CCS[C@H]2C)c1 ZINC000309843017 411276624 /nfs/dbraw/zinc/27/66/24/411276624.db2.gz QVCIWTLETUYFRK-GWCFXTLKSA-N 0 3 239.359 3.118 20 0 BGADHN Cc1ccc(F)c(CN[C@@H]2CCS[C@H]2C)c1 ZINC000309843018 411276648 /nfs/dbraw/zinc/27/66/48/411276648.db2.gz QVCIWTLETUYFRK-GXFFZTMASA-N 0 3 239.359 3.118 20 0 BGADHN Cc1ccc(F)c(CN[C@H]2CCS[C@@H]2C)c1 ZINC000309843019 411276958 /nfs/dbraw/zinc/27/69/58/411276958.db2.gz QVCIWTLETUYFRK-MFKMUULPSA-N 0 3 239.359 3.118 20 0 BGADHN Cc1ccc(F)c(CN[C@@H]2CCS[C@@H]2C)c1 ZINC000309843020 411276561 /nfs/dbraw/zinc/27/65/61/411276561.db2.gz QVCIWTLETUYFRK-ZWNOBZJWSA-N 0 3 239.359 3.118 20 0 BGADHN Cc1cc(CNCCOC(C)(C)C)c(C)s1 ZINC000309844549 326171492 /nfs/dbraw/zinc/17/14/92/326171492.db2.gz FYJYYARRQMELKQ-UHFFFAOYSA-N 0 3 241.400 3.270 20 0 BGADHN C/C=C\CN[C@@H](C)c1ccc(OC)c(F)c1 ZINC000309844552 487727003 /nfs/dbraw/zinc/72/70/03/487727003.db2.gz FYMKGDVDSGNKRM-LWTINBJPSA-N 0 3 223.291 3.061 20 0 BGADHN C/C=C/CN[C@H](C)c1ccc(OC)c(F)c1 ZINC000309844553 490111682 /nfs/dbraw/zinc/11/16/82/490111682.db2.gz FYMKGDVDSGNKRM-ORAHPGNNSA-N 0 3 223.291 3.061 20 0 BGADHN C/C=C\CN[C@H](C)c1ccc(OC)c(F)c1 ZINC000309844554 490111813 /nfs/dbraw/zinc/11/18/13/490111813.db2.gz FYMKGDVDSGNKRM-UMCURTJPSA-N 0 3 223.291 3.061 20 0 BGADHN C/C=C/CN[C@@H](C)c1ccc(OC)c(F)c1 ZINC000309844555 490111714 /nfs/dbraw/zinc/11/17/14/490111714.db2.gz FYMKGDVDSGNKRM-YEZKRMTDSA-N 0 3 223.291 3.061 20 0 BGADHN COc1ccc(CNCCCCF)c(Cl)c1 ZINC000309845515 175106598 /nfs/dbraw/zinc/10/65/98/175106598.db2.gz GGTMWXUCCAGOOA-UHFFFAOYSA-N 0 3 245.725 3.188 20 0 BGADHN Cc1ccc(CN[C@@H]2CSC2(C)C)cc1F ZINC000309845553 384665313 /nfs/dbraw/zinc/66/53/13/384665313.db2.gz GIIKGZJASGJJFR-GFCCVEGCSA-N 0 3 239.359 3.118 20 0 BGADHN Cc1ccc(CN[C@H]2CSC2(C)C)cc1F ZINC000309845554 384664199 /nfs/dbraw/zinc/66/41/99/384664199.db2.gz GIIKGZJASGJJFR-LBPRGKRZSA-N 0 3 239.359 3.118 20 0 BGADHN COc1ccc(CN[C@@H]2CC[C@H]2C)c(Cl)c1 ZINC000309845960 175109870 /nfs/dbraw/zinc/10/98/70/175109870.db2.gz GPGBTUSYHDGXOD-NOZJJQNGSA-N 0 3 239.746 3.237 20 0 BGADHN COc1ccc(CN[C@H]2CC[C@H]2C)c(Cl)c1 ZINC000309845964 384662159 /nfs/dbraw/zinc/66/21/59/384662159.db2.gz GPGBTUSYHDGXOD-RNCFNFMXSA-N 0 3 239.746 3.237 20 0 BGADHN COc1ccc(CN[C@@H]2CC[C@@H]2C)c(Cl)c1 ZINC000309845968 175109721 /nfs/dbraw/zinc/10/97/21/175109721.db2.gz GPGBTUSYHDGXOD-TVQRCGJNSA-N 0 3 239.746 3.237 20 0 BGADHN COc1ccc(CN[C@H]2CC[C@@H]2C)c(Cl)c1 ZINC000309845972 187292571 /nfs/dbraw/zinc/29/25/71/187292571.db2.gz GPGBTUSYHDGXOD-ZANVPECISA-N 0 3 239.746 3.237 20 0 BGADHN Cc1cc(CN[C@@H]2CSC2(C)C)ccc1F ZINC000309853354 178035070 /nfs/dbraw/zinc/03/50/70/178035070.db2.gz JOFSNEPHRKTAHK-GFCCVEGCSA-N 0 3 239.359 3.118 20 0 BGADHN Cc1cc(CN[C@H]2CSC2(C)C)ccc1F ZINC000309853355 178041662 /nfs/dbraw/zinc/04/16/62/178041662.db2.gz JOFSNEPHRKTAHK-LBPRGKRZSA-N 0 3 239.359 3.118 20 0 BGADHN Cc1ccc(CN[C@H]2CCCC(F)(F)C2)o1 ZINC000309857515 384879977 /nfs/dbraw/zinc/87/99/77/384879977.db2.gz LEVUWYVFYJGONQ-JTQLQIEISA-N 0 3 229.270 3.256 20 0 BGADHN Cc1ccc(CN[C@@H]2CCCC(F)(F)C2)o1 ZINC000309857517 384880769 /nfs/dbraw/zinc/88/07/69/384880769.db2.gz LEVUWYVFYJGONQ-SNVBAGLBSA-N 0 3 229.270 3.256 20 0 BGADHN COc1ccsc1CN[C@@H]1CCC(F)(F)C1 ZINC000309858803 491157528 /nfs/dbraw/zinc/15/75/28/491157528.db2.gz LSMUJWIUOXCBOW-MRVPVSSYSA-N 0 3 247.310 3.034 20 0 BGADHN COc1ccsc1CN[C@H]1CCC(F)(F)C1 ZINC000309858804 491157566 /nfs/dbraw/zinc/15/75/66/491157566.db2.gz LSMUJWIUOXCBOW-QMMMGPOBSA-N 0 3 247.310 3.034 20 0 BGADHN Cc1cnc([C@H](NCCCCF)C2CC2)s1 ZINC000309861103 384672365 /nfs/dbraw/zinc/67/23/65/384672365.db2.gz MNDNNQALVYYNBZ-LLVKDONJSA-N 0 3 242.363 3.242 20 0 BGADHN Cc1cnc([C@@H](NCCCCF)C2CC2)s1 ZINC000309861105 384672844 /nfs/dbraw/zinc/67/28/44/384672844.db2.gz MNDNNQALVYYNBZ-NSHDSACASA-N 0 3 242.363 3.242 20 0 BGADHN Cc1nc(CNCC23CCC(CC2)C3)cs1 ZINC000309866145 384679697 /nfs/dbraw/zinc/67/96/97/384679697.db2.gz OQBRPTFADMFSKC-UHFFFAOYSA-N 0 3 236.384 3.121 20 0 BGADHN Cc1cnc(C(C)(C)NCC2(C)CCC2)s1 ZINC000309874075 384683835 /nfs/dbraw/zinc/68/38/35/384683835.db2.gz RWLIHVIBYDKQLA-UHFFFAOYSA-N 0 3 238.400 3.466 20 0 BGADHN COc1ccsc1CNCCC1(F)CCC1 ZINC000309875502 175377840 /nfs/dbraw/zinc/37/78/40/175377840.db2.gz SNOLLAZTQGTSPH-UHFFFAOYSA-N 0 3 243.347 3.129 20 0 BGADHN CS[C@@H]1CC[C@@H]1N[C@H](C)c1cc(C)oc1C ZINC000309876506 384684878 /nfs/dbraw/zinc/68/48/78/384684878.db2.gz SWAIBUJHALUKDU-JIMOISOXSA-N 0 3 239.384 3.441 20 0 BGADHN CS[C@@H]1CC[C@H]1N[C@H](C)c1cc(C)oc1C ZINC000309876510 384683943 /nfs/dbraw/zinc/68/39/43/384683943.db2.gz SWAIBUJHALUKDU-OASPWFOLSA-N 0 3 239.384 3.441 20 0 BGADHN CS[C@@H]1CC[C@@H]1N[C@@H](C)c1cc(C)oc1C ZINC000309876513 384683101 /nfs/dbraw/zinc/68/31/01/384683101.db2.gz SWAIBUJHALUKDU-TVYUQYBPSA-N 0 3 239.384 3.441 20 0 BGADHN CS[C@@H]1CC[C@H]1N[C@@H](C)c1cc(C)oc1C ZINC000309876516 384685302 /nfs/dbraw/zinc/68/53/02/384685302.db2.gz SWAIBUJHALUKDU-ZWKOPEQDSA-N 0 3 239.384 3.441 20 0 BGADHN Cc1cccc(C)c1CN[C@@H]1CSC1(C)C ZINC000309879312 179037653 /nfs/dbraw/zinc/03/76/53/179037653.db2.gz URZVQIBNGRQDTR-CYBMUJFWSA-N 0 3 235.396 3.287 20 0 BGADHN Cc1cccc(C)c1CN[C@H]1CSC1(C)C ZINC000309879314 384688861 /nfs/dbraw/zinc/68/88/61/384688861.db2.gz URZVQIBNGRQDTR-ZDUSSCGKSA-N 0 3 235.396 3.287 20 0 BGADHN CS[C@H](CNCc1ccc(C)o1)C(C)(C)C ZINC000309881424 384885120 /nfs/dbraw/zinc/88/51/20/384885120.db2.gz VOVPRYVXGTXMEM-GFCCVEGCSA-N 0 3 241.400 3.455 20 0 BGADHN CS[C@@H](CNCc1ccc(C)o1)C(C)(C)C ZINC000309881425 384688354 /nfs/dbraw/zinc/68/83/54/384688354.db2.gz VOVPRYVXGTXMEM-LBPRGKRZSA-N 0 3 241.400 3.455 20 0 BGADHN Cc1cc([C@@H](C)N[C@H]2CCCC2(C)C)no1 ZINC000309882974 178232535 /nfs/dbraw/zinc/23/25/35/178232535.db2.gz WMRMBKJIUPPDOM-PWSUYJOCSA-N 0 3 222.332 3.212 20 0 BGADHN Cc1cc([C@@H](C)N[C@@H]2CCCC2(C)C)no1 ZINC000309882975 178231827 /nfs/dbraw/zinc/23/18/27/178231827.db2.gz WMRMBKJIUPPDOM-ZYHUDNBSSA-N 0 3 222.332 3.212 20 0 BGADHN Cc1cccc2c1ncc(C)c2NCCF ZINC000309883432 384691766 /nfs/dbraw/zinc/69/17/66/384691766.db2.gz WSPOIKQRJJORNJ-UHFFFAOYSA-N 0 3 218.275 3.233 20 0 BGADHN Cc1ccc(CNC2CC(C(F)(F)F)C2)o1 ZINC000309883789 384692462 /nfs/dbraw/zinc/69/24/62/384692462.db2.gz XAPKHHDVPGARFZ-UHFFFAOYSA-N 0 3 233.233 3.019 20 0 BGADHN CCC1CCC(N[C@@H](C)c2ccon2)CC1 ZINC000309887111 384695945 /nfs/dbraw/zinc/69/59/45/384695945.db2.gz YXBUQCBAWBPQFK-UNXYVOJBSA-N 0 3 222.332 3.294 20 0 BGADHN CCC1CCC(N[C@H](C)c2ccon2)CC1 ZINC000309887112 384695431 /nfs/dbraw/zinc/69/54/31/384695431.db2.gz YXBUQCBAWBPQFK-VOMCLLRMSA-N 0 3 222.332 3.294 20 0 BGADHN Cc1ccc(CN[C@@H]2CCC23CCCC3)o1 ZINC000309887967 491157884 /nfs/dbraw/zinc/15/78/84/491157884.db2.gz ZEBIDIJFMZMHGO-CYBMUJFWSA-N 0 3 219.328 3.400 20 0 BGADHN Cc1ccc(CN[C@H]2CCC23CCCC3)o1 ZINC000309887969 491157839 /nfs/dbraw/zinc/15/78/39/491157839.db2.gz ZEBIDIJFMZMHGO-ZDUSSCGKSA-N 0 3 219.328 3.400 20 0 BGADHN CCc1ccc(CN[C@@H]2CSC2(C)C)cc1 ZINC000309896202 388468481 /nfs/dbraw/zinc/46/84/81/388468481.db2.gz FYVZKQVFOXLIDC-CYBMUJFWSA-N 0 3 235.396 3.233 20 0 BGADHN CCc1ccc(CN[C@H]2CSC2(C)C)cc1 ZINC000309896203 388469172 /nfs/dbraw/zinc/46/91/72/388469172.db2.gz FYVZKQVFOXLIDC-ZDUSSCGKSA-N 0 3 235.396 3.233 20 0 BGADHN CSc1cccc(F)c1CNCC1(C)CC1 ZINC000309899500 487806433 /nfs/dbraw/zinc/80/64/33/487806433.db2.gz GZRCTCLRPUTQHT-UHFFFAOYSA-N 0 3 239.359 3.437 20 0 BGADHN CCc1ccc(CN[C@H](C)COC(C)C)s1 ZINC000309899529 384898682 /nfs/dbraw/zinc/89/86/82/384898682.db2.gz HACIYVPAELWACW-LLVKDONJSA-N 0 3 241.400 3.214 20 0 BGADHN CCc1ccc(CN[C@@H](C)COC(C)C)s1 ZINC000309899530 384898480 /nfs/dbraw/zinc/89/84/80/384898480.db2.gz HACIYVPAELWACW-NSHDSACASA-N 0 3 241.400 3.214 20 0 BGADHN CCCc1csc(CNCC2(CC)CC2)n1 ZINC000309899555 384698402 /nfs/dbraw/zinc/69/84/02/384698402.db2.gz HBMRXCMTERMXLA-UHFFFAOYSA-N 0 3 238.400 3.375 20 0 BGADHN CSc1cccc(F)c1CNC1CC(C)C1 ZINC000309900806 384698657 /nfs/dbraw/zinc/69/86/57/384698657.db2.gz HNACITVQHSSLSU-UHFFFAOYSA-N 0 3 239.359 3.436 20 0 BGADHN CCCc1csc(CNCCC2(C)CC2)n1 ZINC000309900855 384698004 /nfs/dbraw/zinc/69/80/04/384698004.db2.gz HOFVTOJPJJWINI-UHFFFAOYSA-N 0 3 238.400 3.375 20 0 BGADHN CSc1cccc(F)c1CN[C@H](C)C1CC1 ZINC000309903412 175580203 /nfs/dbraw/zinc/58/02/03/175580203.db2.gz IYHQZPOTTMEDFN-SECBINFHSA-N 0 3 239.359 3.436 20 0 BGADHN CSc1cccc(F)c1CN[C@@H](C)C1CC1 ZINC000309903413 384712574 /nfs/dbraw/zinc/71/25/74/384712574.db2.gz IYHQZPOTTMEDFN-VIFPVBQESA-N 0 3 239.359 3.436 20 0 BGADHN COc1ccsc1[C@H](C)N[C@H]1CC[C@@H](F)C1 ZINC000309909582 175380452 /nfs/dbraw/zinc/38/04/52/175380452.db2.gz LVEMOEOPGDUZAR-AEJSXWLSSA-N 0 3 243.347 3.298 20 0 BGADHN COc1ccsc1[C@H](C)N[C@H]1CC[C@H](F)C1 ZINC000309909583 175380361 /nfs/dbraw/zinc/38/03/61/175380361.db2.gz LVEMOEOPGDUZAR-GUBZILKMSA-N 0 3 243.347 3.298 20 0 BGADHN COc1ccsc1[C@H](C)N[C@@H]1CC[C@@H](F)C1 ZINC000309909584 175380753 /nfs/dbraw/zinc/38/07/53/175380753.db2.gz LVEMOEOPGDUZAR-IVZWLZJFSA-N 0 3 243.347 3.298 20 0 BGADHN COc1ccsc1[C@H](C)N[C@@H]1CC[C@H](F)C1 ZINC000309909585 175380528 /nfs/dbraw/zinc/38/05/28/175380528.db2.gz LVEMOEOPGDUZAR-LPEHRKFASA-N 0 3 243.347 3.298 20 0 BGADHN COc1ccc(CN[C@H](C)C2CC2)c(Cl)c1 ZINC000309910238 388468687 /nfs/dbraw/zinc/46/86/87/388468687.db2.gz MGDRCBAYXWGKDH-SECBINFHSA-N 0 3 239.746 3.237 20 0 BGADHN COc1ccc(CN[C@@H](C)C2CC2)c(Cl)c1 ZINC000309910240 388469055 /nfs/dbraw/zinc/46/90/55/388469055.db2.gz MGDRCBAYXWGKDH-VIFPVBQESA-N 0 3 239.746 3.237 20 0 BGADHN CCCc1csc(CN[C@@H]2CC=CCC2)n1 ZINC000309910346 384705639 /nfs/dbraw/zinc/70/56/39/384705639.db2.gz MJQNDYJNWNUMSE-LLVKDONJSA-N 0 3 236.384 3.294 20 0 BGADHN CCCc1csc(CN[C@H]2CC=CCC2)n1 ZINC000309910348 384705111 /nfs/dbraw/zinc/70/51/11/384705111.db2.gz MJQNDYJNWNUMSE-NSHDSACASA-N 0 3 236.384 3.294 20 0 BGADHN COc1ccc(CN[C@@H]2CC2(C)C)c(Cl)c1 ZINC000309911161 384705379 /nfs/dbraw/zinc/70/53/79/384705379.db2.gz MURYKBXBJCEWHX-GFCCVEGCSA-N 0 3 239.746 3.237 20 0 BGADHN COc1ccc(CN[C@H]2CC2(C)C)c(Cl)c1 ZINC000309911162 175110862 /nfs/dbraw/zinc/11/08/62/175110862.db2.gz MURYKBXBJCEWHX-LBPRGKRZSA-N 0 3 239.746 3.237 20 0 BGADHN Cc1c[nH]nc1CNC(C)(C)CC(C)(C)C ZINC000309911843 384704928 /nfs/dbraw/zinc/70/49/28/384704928.db2.gz NCTVFQVPJBAALN-UHFFFAOYSA-N 0 3 223.364 3.023 20 0 BGADHN C/C=C/CN[C@H](C)c1cc(C)ccc1OC ZINC000309912254 411189789 /nfs/dbraw/zinc/18/97/89/411189789.db2.gz NJGDMBFGBDCDFG-BTDICHCPSA-N 0 3 219.328 3.230 20 0 BGADHN C/C=C\CN[C@@H](C)c1cc(C)ccc1OC ZINC000309912256 411189624 /nfs/dbraw/zinc/18/96/24/411189624.db2.gz NJGDMBFGBDCDFG-FJOGCWAESA-N 0 3 219.328 3.230 20 0 BGADHN C/C=C\CN[C@H](C)c1cc(C)ccc1OC ZINC000309912258 487729198 /nfs/dbraw/zinc/72/91/98/487729198.db2.gz NJGDMBFGBDCDFG-FOQNGQEVSA-N 0 3 219.328 3.230 20 0 BGADHN C/C=C/CN[C@@H](C)c1cc(C)ccc1OC ZINC000309912259 411189679 /nfs/dbraw/zinc/18/96/79/411189679.db2.gz NJGDMBFGBDCDFG-FYJFLYSWSA-N 0 3 219.328 3.230 20 0 BGADHN CSC1(CNc2cc(C)cc(C)n2)CCC1 ZINC000309914663 384707897 /nfs/dbraw/zinc/70/78/97/384707897.db2.gz OQCRWKBPDMREOU-UHFFFAOYSA-N 0 3 236.384 3.396 20 0 BGADHN CCCc1csc(CN[C@@H]2CCC[C@@H]2C)n1 ZINC000309918438 384715478 /nfs/dbraw/zinc/71/54/78/384715478.db2.gz QRLFKOYMEQHFRN-CMPLNLGQSA-N 0 3 238.400 3.374 20 0 BGADHN CCCc1csc(CN[C@H]2CCC[C@@H]2C)n1 ZINC000309918439 384714682 /nfs/dbraw/zinc/71/46/82/384714682.db2.gz QRLFKOYMEQHFRN-JQWIXIFHSA-N 0 3 238.400 3.374 20 0 BGADHN CCCc1csc(CN[C@H]2CCC[C@H]2C)n1 ZINC000309918440 398327342 /nfs/dbraw/zinc/32/73/42/398327342.db2.gz QRLFKOYMEQHFRN-PWSUYJOCSA-N 0 3 238.400 3.374 20 0 BGADHN CCCc1csc(CN[C@@H]2CCC[C@H]2C)n1 ZINC000309918441 398327183 /nfs/dbraw/zinc/32/71/83/398327183.db2.gz QRLFKOYMEQHFRN-ZYHUDNBSSA-N 0 3 238.400 3.374 20 0 BGADHN CS[C@@H]1CC[C@H]1NCc1ccc(F)c(C)c1 ZINC000309921730 384716550 /nfs/dbraw/zinc/71/65/50/384716550.db2.gz SJXYIBHBQVRMOO-CHWSQXEVSA-N 0 3 239.359 3.118 20 0 BGADHN CS[C@H]1CC[C@H]1NCc1ccc(F)c(C)c1 ZINC000309921732 384716066 /nfs/dbraw/zinc/71/60/66/384716066.db2.gz SJXYIBHBQVRMOO-OLZOCXBDSA-N 0 3 239.359 3.118 20 0 BGADHN CS[C@@H]1CC[C@@H]1NCc1ccc(F)c(C)c1 ZINC000309921734 384714378 /nfs/dbraw/zinc/71/43/78/384714378.db2.gz SJXYIBHBQVRMOO-QWHCGFSZSA-N 0 3 239.359 3.118 20 0 BGADHN CS[C@H]1CC[C@@H]1NCc1ccc(F)c(C)c1 ZINC000309921736 384714116 /nfs/dbraw/zinc/71/41/16/384714116.db2.gz SJXYIBHBQVRMOO-STQMWFEESA-N 0 3 239.359 3.118 20 0 BGADHN CSc1cccc(F)c1CNC[C@H]1C[C@H]1C ZINC000309922340 384719807 /nfs/dbraw/zinc/71/98/07/384719807.db2.gz SUHFTKUBGSASEU-NXEZZACHSA-N 0 3 239.359 3.293 20 0 BGADHN CSc1cccc(F)c1CNC[C@@H]1C[C@@H]1C ZINC000309922345 384718992 /nfs/dbraw/zinc/71/89/92/384718992.db2.gz SUHFTKUBGSASEU-UWVGGRQHSA-N 0 3 239.359 3.293 20 0 BGADHN CSc1cccc(F)c1CNC[C@H]1C[C@@H]1C ZINC000309922351 384719068 /nfs/dbraw/zinc/71/90/68/384719068.db2.gz SUHFTKUBGSASEU-VHSXEESVSA-N 0 3 239.359 3.293 20 0 BGADHN CSc1cccc(F)c1CNC[C@@H]1C[C@H]1C ZINC000309922357 384719616 /nfs/dbraw/zinc/71/96/16/384719616.db2.gz SUHFTKUBGSASEU-ZJUUUORDSA-N 0 3 239.359 3.293 20 0 BGADHN CCSc1cccc(CNCC2(F)CC2)c1 ZINC000309924730 411189537 /nfs/dbraw/zinc/18/95/37/411189537.db2.gz USNGWJIPMIFCLO-UHFFFAOYSA-N 0 3 239.359 3.390 20 0 BGADHN CSCCCNC1(c2ccc(F)cc2)CC1 ZINC000309925199 175486642 /nfs/dbraw/zinc/48/66/42/175486642.db2.gz UYQLOCHTEUSBQL-UHFFFAOYSA-N 0 3 239.359 3.158 20 0 BGADHN COc1cc(Cl)ccc1CNCC1(C)CC1 ZINC000309925933 370276069 /nfs/dbraw/zinc/27/60/69/370276069.db2.gz VHXXNFKZMXDNQF-UHFFFAOYSA-N 0 3 239.746 3.238 20 0 BGADHN CCCc1csc(CNC[C@@H](C)C(C)C)n1 ZINC000309930773 528670616 /nfs/dbraw/zinc/67/06/16/528670616.db2.gz XUSHLETUDYRODH-LLVKDONJSA-N 0 3 240.416 3.477 20 0 BGADHN CCCc1csc(CNC[C@H](C)C(C)C)n1 ZINC000309930779 388468972 /nfs/dbraw/zinc/46/89/72/388468972.db2.gz XUSHLETUDYRODH-NSHDSACASA-N 0 3 240.416 3.477 20 0 BGADHN CCCc1nc(C)c(CNC[C@@H](C)CC)o1 ZINC000309933781 384723768 /nfs/dbraw/zinc/72/37/68/384723768.db2.gz ZAXNOKINRHFOIX-JTQLQIEISA-N 0 3 224.348 3.071 20 0 BGADHN CCCc1nc(C)c(CNC[C@H](C)CC)o1 ZINC000309933786 384722745 /nfs/dbraw/zinc/72/27/45/384722745.db2.gz ZAXNOKINRHFOIX-SNVBAGLBSA-N 0 3 224.348 3.071 20 0 BGADHN CCCc1nc(C)c(CNC(CC)CC)o1 ZINC000309935535 384725945 /nfs/dbraw/zinc/72/59/45/384725945.db2.gz ZRPKPJIGDQYMOM-UHFFFAOYSA-N 0 3 224.348 3.214 20 0 BGADHN Cc1cc(C)nc(NC2CC(C(F)F)C2)c1 ZINC000309936250 633961173 /nfs/dbraw/zinc/96/11/73/633961173.db2.gz ZXRIQXSHELUFGC-UHFFFAOYSA-N 0 3 226.270 3.154 20 0 BGADHN CCC[C@H]1CCCC[C@@H]1NCc1ccno1 ZINC000309936925 323082841 /nfs/dbraw/zinc/08/28/41/323082841.db2.gz AGEBLXFFBYTXGD-AAEUAGOBSA-N 0 3 222.332 3.123 20 0 BGADHN CCC[C@@H]1CCCC[C@H]1NCc1ccno1 ZINC000309936927 323122051 /nfs/dbraw/zinc/12/20/51/323122051.db2.gz AGEBLXFFBYTXGD-DGCLKSJQSA-N 0 3 222.332 3.123 20 0 BGADHN CCC[C@H]1CCCC[C@H]1NCc1ccno1 ZINC000309936929 323122091 /nfs/dbraw/zinc/12/20/91/323122091.db2.gz AGEBLXFFBYTXGD-WCQYABFASA-N 0 3 222.332 3.123 20 0 BGADHN CCC[C@@H]1CCCC[C@@H]1NCc1ccno1 ZINC000309936931 323122189 /nfs/dbraw/zinc/12/21/89/323122189.db2.gz AGEBLXFFBYTXGD-YPMHNXCESA-N 0 3 222.332 3.123 20 0 BGADHN CCC1(CNCc2cocn2)CCCCC1 ZINC000309937527 384733811 /nfs/dbraw/zinc/73/38/11/384733811.db2.gz AKJUGSXIFUDJIP-UHFFFAOYSA-N 0 3 222.332 3.125 20 0 BGADHN CCCc1csc(CNC2(C3CC3)CC2)n1 ZINC000309938620 326176306 /nfs/dbraw/zinc/17/63/06/326176306.db2.gz AWIAZJCVBHTHHM-UHFFFAOYSA-N 0 3 236.384 3.128 20 0 BGADHN CCc1nc(CNC[C@H](C)CC(C)C)cs1 ZINC000309938675 344476592 /nfs/dbraw/zinc/47/65/92/344476592.db2.gz AYIYWXITZOJAJI-LLVKDONJSA-N 0 3 240.416 3.477 20 0 BGADHN CCc1nc(CNC[C@@H](C)CC(C)C)cs1 ZINC000309938676 344476558 /nfs/dbraw/zinc/47/65/58/344476558.db2.gz AYIYWXITZOJAJI-NSHDSACASA-N 0 3 240.416 3.477 20 0 BGADHN CCCCCN[C@H](C)c1ncccc1CC ZINC000309939007 259378889 /nfs/dbraw/zinc/37/88/89/259378889.db2.gz AVARKRWMQNNAHO-GFCCVEGCSA-N 0 3 220.360 3.485 20 0 BGADHN CCCCCN[C@@H](C)c1ncccc1CC ZINC000309939011 259325308 /nfs/dbraw/zinc/32/53/08/259325308.db2.gz AVARKRWMQNNAHO-LBPRGKRZSA-N 0 3 220.360 3.485 20 0 BGADHN CCOc1ccc([C@@H](C)NC/C=C\Cl)cc1 ZINC000309942352 633965177 /nfs/dbraw/zinc/96/51/77/633965177.db2.gz CBUIWTWVQQVPBX-KSHIFHCESA-N 0 3 239.746 3.488 20 0 BGADHN CCOc1ccc([C@H](C)NC/C=C\Cl)cc1 ZINC000309942353 633966320 /nfs/dbraw/zinc/96/63/20/633966320.db2.gz CBUIWTWVQQVPBX-NJHLSQGMSA-N 0 3 239.746 3.488 20 0 BGADHN CCOc1ccc([C@@H](C)NC/C=C/Cl)cc1 ZINC000309942354 633966043 /nfs/dbraw/zinc/96/60/43/633966043.db2.gz CBUIWTWVQQVPBX-VCFDLTMXSA-N 0 3 239.746 3.488 20 0 BGADHN CCOc1ccc([C@H](C)NC/C=C/Cl)cc1 ZINC000309942355 632685916 /nfs/dbraw/zinc/68/59/16/632685916.db2.gz CBUIWTWVQQVPBX-VKJYCEFSSA-N 0 3 239.746 3.488 20 0 BGADHN CCc1ccc(CN[C@@H]2CC23CCCC3)o1 ZINC000309945268 384732274 /nfs/dbraw/zinc/73/22/74/384732274.db2.gz DCJHKGCYFGBXSL-CYBMUJFWSA-N 0 3 219.328 3.264 20 0 BGADHN CCc1ccc(CN[C@H]2CC23CCCC3)o1 ZINC000309945269 384731941 /nfs/dbraw/zinc/73/19/41/384731941.db2.gz DCJHKGCYFGBXSL-ZDUSSCGKSA-N 0 3 219.328 3.264 20 0 BGADHN CCc1cccnc1[C@@H](C)NCC1(C)CC1 ZINC000309946631 384732373 /nfs/dbraw/zinc/73/23/73/384732373.db2.gz DPCYTCZWGGXUFC-LLVKDONJSA-N 0 3 218.344 3.095 20 0 BGADHN CCc1cccnc1[C@H](C)NCC1(C)CC1 ZINC000309946637 384732122 /nfs/dbraw/zinc/73/21/22/384732122.db2.gz DPCYTCZWGGXUFC-NSHDSACASA-N 0 3 218.344 3.095 20 0 BGADHN CCc1cccnc1[C@@H](C)NCCC1CC1 ZINC000309947754 491158785 /nfs/dbraw/zinc/15/87/85/491158785.db2.gz DXXBDMNJVXCGGB-LLVKDONJSA-N 0 3 218.344 3.095 20 0 BGADHN CCc1cccnc1[C@H](C)NCCC1CC1 ZINC000309947755 491158747 /nfs/dbraw/zinc/15/87/47/491158747.db2.gz DXXBDMNJVXCGGB-NSHDSACASA-N 0 3 218.344 3.095 20 0 BGADHN C/C=C/CN[C@H](CC(C)C)c1ccccn1 ZINC000309949476 491158749 /nfs/dbraw/zinc/15/87/49/491158749.db2.gz FMJFUWQAGSIEDR-ISZGNANSSA-N 0 3 218.344 3.335 20 0 BGADHN C/C=C/CN[C@@H](CC(C)C)c1ccccn1 ZINC000309949479 491158741 /nfs/dbraw/zinc/15/87/41/491158741.db2.gz FMJFUWQAGSIEDR-NNTXTVRGSA-N 0 3 218.344 3.335 20 0 BGADHN C/C=C\CN[C@@H](CC(C)C)c1ccccn1 ZINC000309949482 491158806 /nfs/dbraw/zinc/15/88/06/491158806.db2.gz FMJFUWQAGSIEDR-WSNITJDQSA-N 0 3 218.344 3.335 20 0 BGADHN C/C=C\CN[C@H](CC(C)C)c1ccccn1 ZINC000309949485 491158739 /nfs/dbraw/zinc/15/87/39/491158739.db2.gz FMJFUWQAGSIEDR-ZRUQZJFASA-N 0 3 218.344 3.335 20 0 BGADHN CCc1ncc(CNCCC2(F)CCC2)s1 ZINC000309951133 172018690 /nfs/dbraw/zinc/01/86/90/172018690.db2.gz GCJUZWRYCHKUFS-UHFFFAOYSA-N 0 3 242.363 3.077 20 0 BGADHN CCc1cccnc1[C@@H](C)NCC=C(C)C ZINC000309952035 388470044 /nfs/dbraw/zinc/47/00/44/388470044.db2.gz GMTSEXUAICNZLU-GFCCVEGCSA-N 0 3 218.344 3.261 20 0 BGADHN CCc1cccnc1[C@H](C)NCC=C(C)C ZINC000309952037 388470065 /nfs/dbraw/zinc/47/00/65/388470065.db2.gz GMTSEXUAICNZLU-LBPRGKRZSA-N 0 3 218.344 3.261 20 0 BGADHN CCCc1nc(CN[C@@H]2CCC[C@@H]2C)cs1 ZINC000309952264 384737252 /nfs/dbraw/zinc/73/72/52/384737252.db2.gz GRCMRYYOTRCHNM-CMPLNLGQSA-N 0 3 238.400 3.374 20 0 BGADHN CCCc1nc(CN[C@H]2CCC[C@@H]2C)cs1 ZINC000309952265 384737098 /nfs/dbraw/zinc/73/70/98/384737098.db2.gz GRCMRYYOTRCHNM-JQWIXIFHSA-N 0 3 238.400 3.374 20 0 BGADHN CCCc1nc(CN[C@H]2CCC[C@H]2C)cs1 ZINC000309952267 384738296 /nfs/dbraw/zinc/73/82/96/384738296.db2.gz GRCMRYYOTRCHNM-PWSUYJOCSA-N 0 3 238.400 3.374 20 0 BGADHN CCCc1nc(CN[C@@H]2CCC[C@H]2C)cs1 ZINC000309952268 384737066 /nfs/dbraw/zinc/73/70/66/384737066.db2.gz GRCMRYYOTRCHNM-ZYHUDNBSSA-N 0 3 238.400 3.374 20 0 BGADHN CCc1cccnc1[C@@H](C)N[C@H](C)CSC ZINC000309959732 384743456 /nfs/dbraw/zinc/74/34/56/384743456.db2.gz KJCPVRJEXHUHLP-GHMZBOCLSA-N 0 3 238.400 3.046 20 0 BGADHN CCc1cccnc1[C@H](C)N[C@H](C)CSC ZINC000309959733 347205731 /nfs/dbraw/zinc/20/57/31/347205731.db2.gz KJCPVRJEXHUHLP-MNOVXSKESA-N 0 3 238.400 3.046 20 0 BGADHN CCc1cccnc1[C@H](C)N[C@@H](C)CSC ZINC000309959734 347205628 /nfs/dbraw/zinc/20/56/28/347205628.db2.gz KJCPVRJEXHUHLP-QWRGUYRKSA-N 0 3 238.400 3.046 20 0 BGADHN CCc1cccnc1[C@@H](C)N[C@@H](C)CSC ZINC000309959735 347205834 /nfs/dbraw/zinc/20/58/34/347205834.db2.gz KJCPVRJEXHUHLP-WDEREUQCSA-N 0 3 238.400 3.046 20 0 BGADHN CCc1cccnc1[C@H](C)NC1CC(C)C1 ZINC000309964206 384753110 /nfs/dbraw/zinc/75/31/10/384753110.db2.gz MQZBYDJJXUELPS-AKJDGMEZSA-N 0 3 218.344 3.093 20 0 BGADHN CCc1cccnc1[C@@H](C)NC1CC(C)C1 ZINC000309964208 384750579 /nfs/dbraw/zinc/75/05/79/384750579.db2.gz MQZBYDJJXUELPS-QWKFWESOSA-N 0 3 218.344 3.093 20 0 BGADHN CCc1cnc(CNCCC2(F)CCC2)s1 ZINC000309964325 347208267 /nfs/dbraw/zinc/20/82/67/347208267.db2.gz MUBYQJGJNQMLBJ-UHFFFAOYSA-N 0 3 242.363 3.077 20 0 BGADHN CCc1cccnc1[C@H](C)N[C@@H]1CC1(C)C ZINC000309965367 347205649 /nfs/dbraw/zinc/20/56/49/347205649.db2.gz NEBVULDWJUCHNZ-CMPLNLGQSA-N 0 3 218.344 3.093 20 0 BGADHN CCc1cccnc1[C@H](C)N[C@H]1CC1(C)C ZINC000309965368 347205772 /nfs/dbraw/zinc/20/57/72/347205772.db2.gz NEBVULDWJUCHNZ-JQWIXIFHSA-N 0 3 218.344 3.093 20 0 BGADHN CCc1cccnc1[C@@H](C)N[C@H]1CC1(C)C ZINC000309965369 384963685 /nfs/dbraw/zinc/96/36/85/384963685.db2.gz NEBVULDWJUCHNZ-PWSUYJOCSA-N 0 3 218.344 3.093 20 0 BGADHN CCc1cccnc1[C@@H](C)N[C@@H]1CC1(C)C ZINC000309965370 171899627 /nfs/dbraw/zinc/89/96/27/171899627.db2.gz NEBVULDWJUCHNZ-ZYHUDNBSSA-N 0 3 218.344 3.093 20 0 BGADHN CCc1cccnc1[C@@H](C)NCCCSC ZINC000309965687 384745293 /nfs/dbraw/zinc/74/52/93/384745293.db2.gz NIRMOJWQTXMKOP-LLVKDONJSA-N 0 3 238.400 3.048 20 0 BGADHN CCc1cccnc1[C@H](C)NCCCSC ZINC000309965689 347205839 /nfs/dbraw/zinc/20/58/39/347205839.db2.gz NIRMOJWQTXMKOP-NSHDSACASA-N 0 3 238.400 3.048 20 0 BGADHN CO[C@H](C)[C@@H](C)NCc1ccc(C)c(Cl)c1 ZINC000309965990 384743011 /nfs/dbraw/zinc/74/30/11/384743011.db2.gz NMRVSQKPQBSXRP-GHMZBOCLSA-N 0 3 241.762 3.161 20 0 BGADHN CO[C@@H](C)[C@@H](C)NCc1ccc(C)c(Cl)c1 ZINC000309965991 384744644 /nfs/dbraw/zinc/74/46/44/384744644.db2.gz NMRVSQKPQBSXRP-MNOVXSKESA-N 0 3 241.762 3.161 20 0 BGADHN CCc1cccc(F)c1CNCCCSC ZINC000309967034 384743223 /nfs/dbraw/zinc/74/32/23/384743223.db2.gz NWOCUEMLLRTXGH-UHFFFAOYSA-N 0 3 241.375 3.231 20 0 BGADHN CCc1cccnc1[C@@H](C)NCCCCF ZINC000309968000 171899284 /nfs/dbraw/zinc/89/92/84/171899284.db2.gz OGGILZFRKUJAOX-LLVKDONJSA-N 0 3 224.323 3.044 20 0 BGADHN CCc1cccnc1[C@H](C)NCCCCF ZINC000309968001 384745860 /nfs/dbraw/zinc/74/58/60/384745860.db2.gz OGGILZFRKUJAOX-NSHDSACASA-N 0 3 224.323 3.044 20 0 BGADHN CCc1ccc(CNC2CC(F)(F)C2)cc1 ZINC000309982209 171803315 /nfs/dbraw/zinc/80/33/15/171803315.db2.gz WRRRJJZUQJTUSG-UHFFFAOYSA-N 0 3 225.282 3.136 20 0 BGADHN CO[C@H](CNCc1ccccc1Cl)C(C)C ZINC000309986119 384765356 /nfs/dbraw/zinc/76/53/56/384765356.db2.gz YIGQKSLJPAPUAR-CYBMUJFWSA-N 0 3 241.762 3.101 20 0 BGADHN CO[C@@H](CNCc1ccccc1Cl)C(C)C ZINC000309986120 384765334 /nfs/dbraw/zinc/76/53/34/384765334.db2.gz YIGQKSLJPAPUAR-ZDUSSCGKSA-N 0 3 241.762 3.101 20 0 BGADHN CCc1cccnc1[C@@H](C)NC1CC=CC1 ZINC000309986761 491159422 /nfs/dbraw/zinc/15/94/22/491159422.db2.gz YQKCFDIKEZDLFN-LLVKDONJSA-N 0 3 216.328 3.013 20 0 BGADHN CCc1cccnc1[C@H](C)NC1CC=CC1 ZINC000309986762 491159412 /nfs/dbraw/zinc/15/94/12/491159412.db2.gz YQKCFDIKEZDLFN-NSHDSACASA-N 0 3 216.328 3.013 20 0 BGADHN CCC[C@@H](CC)N[C@@H](CC)c1ccn(C)n1 ZINC000309990742 388470953 /nfs/dbraw/zinc/47/09/53/388470953.db2.gz AXCKJRKKXZIOGF-NEPJUHHUSA-N 0 3 223.364 3.040 20 0 BGADHN CCC[C@H](CC)N[C@H](CC)c1ccn(C)n1 ZINC000309990743 388470986 /nfs/dbraw/zinc/47/09/86/388470986.db2.gz AXCKJRKKXZIOGF-NWDGAFQWSA-N 0 3 223.364 3.040 20 0 BGADHN CCC[C@H](CC)N[C@@H](CC)c1ccn(C)n1 ZINC000309990744 388470879 /nfs/dbraw/zinc/47/08/79/388470879.db2.gz AXCKJRKKXZIOGF-RYUDHWBXSA-N 0 3 223.364 3.040 20 0 BGADHN CCC[C@@H](CC)N[C@H](CC)c1ccn(C)n1 ZINC000309990745 388470705 /nfs/dbraw/zinc/47/07/05/388470705.db2.gz AXCKJRKKXZIOGF-VXGBXAGGSA-N 0 3 223.364 3.040 20 0 BGADHN CCC(CC)N[C@@H]1COc2ccc(F)cc21 ZINC000309991055 168392629 /nfs/dbraw/zinc/39/26/29/168392629.db2.gz BAULAKROPYUULM-GFCCVEGCSA-N 0 3 223.291 3.037 20 0 BGADHN CCC(CC)N[C@H]1COc2ccc(F)cc21 ZINC000309991056 168393545 /nfs/dbraw/zinc/39/35/45/168393545.db2.gz BAULAKROPYUULM-LBPRGKRZSA-N 0 3 223.291 3.037 20 0 BGADHN CC[C@H](CSC)N[C@H](C)c1ccncc1F ZINC000309991535 385008288 /nfs/dbraw/zinc/00/82/88/385008288.db2.gz BFORZZMGNLWQJS-NXEZZACHSA-N 0 3 242.363 3.013 20 0 BGADHN CC[C@@H](CSC)N[C@@H](C)c1ccncc1F ZINC000309991536 385007950 /nfs/dbraw/zinc/00/79/50/385007950.db2.gz BFORZZMGNLWQJS-UWVGGRQHSA-N 0 3 242.363 3.013 20 0 BGADHN CC[C@H](CSC)N[C@@H](C)c1ccncc1F ZINC000309991537 385009404 /nfs/dbraw/zinc/00/94/04/385009404.db2.gz BFORZZMGNLWQJS-VHSXEESVSA-N 0 3 242.363 3.013 20 0 BGADHN CC[C@@H](CSC)N[C@H](C)c1ccncc1F ZINC000309991538 385008903 /nfs/dbraw/zinc/00/89/03/385008903.db2.gz BFORZZMGNLWQJS-ZJUUUORDSA-N 0 3 242.363 3.013 20 0 BGADHN CCCC[C@@H](C)[C@@H](C)NCc1nnc(C)s1 ZINC000309993151 343137311 /nfs/dbraw/zinc/13/73/11/343137311.db2.gz BMCWCEGEFGEJFZ-NXEZZACHSA-N 0 3 241.404 3.151 20 0 BGADHN CCCC[C@H](C)[C@H](C)NCc1nnc(C)s1 ZINC000309993152 343137105 /nfs/dbraw/zinc/13/71/05/343137105.db2.gz BMCWCEGEFGEJFZ-UWVGGRQHSA-N 0 3 241.404 3.151 20 0 BGADHN CCCC[C@H](C)[C@@H](C)NCc1nnc(C)s1 ZINC000309993153 343137196 /nfs/dbraw/zinc/13/71/96/343137196.db2.gz BMCWCEGEFGEJFZ-VHSXEESVSA-N 0 3 241.404 3.151 20 0 BGADHN CCCC[C@@H](C)[C@H](C)NCc1nnc(C)s1 ZINC000309993154 343137136 /nfs/dbraw/zinc/13/71/36/343137136.db2.gz BMCWCEGEFGEJFZ-ZJUUUORDSA-N 0 3 241.404 3.151 20 0 BGADHN CC/C=C/CCN[C@@H](C)c1c(C)noc1C ZINC000309994769 491159598 /nfs/dbraw/zinc/15/95/98/491159598.db2.gz BUOAKWBGGBRLFE-FGEFZZPRSA-N 0 3 222.332 3.298 20 0 BGADHN CC/C=C\CCN[C@@H](C)c1c(C)noc1C ZINC000309994770 491159600 /nfs/dbraw/zinc/15/96/00/491159600.db2.gz BUOAKWBGGBRLFE-GFVADAIESA-N 0 3 222.332 3.298 20 0 BGADHN CC/C=C\CCN[C@H](C)c1c(C)noc1C ZINC000309994772 491159590 /nfs/dbraw/zinc/15/95/90/491159590.db2.gz BUOAKWBGGBRLFE-JYESYGNLSA-N 0 3 222.332 3.298 20 0 BGADHN CC/C=C/CCN[C@H](C)c1c(C)noc1C ZINC000309994773 491159621 /nfs/dbraw/zinc/15/96/21/491159621.db2.gz BUOAKWBGGBRLFE-VQCYPWCPSA-N 0 3 222.332 3.298 20 0 BGADHN CCC1CC(NCc2nc(C3CC3)cs2)C1 ZINC000309996450 384765491 /nfs/dbraw/zinc/76/54/91/384765491.db2.gz CGHVYEYMNOZWNY-UHFFFAOYSA-N 0 3 236.384 3.299 20 0 BGADHN CCCC1(CN[C@H](C)c2ncc[nH]2)CCC1 ZINC000309997939 491159655 /nfs/dbraw/zinc/15/96/55/491159655.db2.gz CRHJFNVUBMZEDS-LLVKDONJSA-N 0 3 221.348 3.031 20 0 BGADHN CCCC1(CN[C@@H](C)c2ncc[nH]2)CCC1 ZINC000309997940 491159704 /nfs/dbraw/zinc/15/97/04/491159704.db2.gz CRHJFNVUBMZEDS-NSHDSACASA-N 0 3 221.348 3.031 20 0 BGADHN CCC(CC)(CC)CNCc1snnc1C ZINC000309998775 168316579 /nfs/dbraw/zinc/31/65/79/168316579.db2.gz DCUOVKSTRCMZQX-UHFFFAOYSA-N 0 3 241.404 3.153 20 0 BGADHN CCC[C@H]1CCCC[C@@H]1NCc1cocn1 ZINC000310004010 323083008 /nfs/dbraw/zinc/08/30/08/323083008.db2.gz FWOULRASJRAYEZ-AAEUAGOBSA-N 0 3 222.332 3.123 20 0 BGADHN CCC[C@@H]1CCCC[C@H]1NCc1cocn1 ZINC000310004011 323083031 /nfs/dbraw/zinc/08/30/31/323083031.db2.gz FWOULRASJRAYEZ-DGCLKSJQSA-N 0 3 222.332 3.123 20 0 BGADHN CCC[C@H]1CCCC[C@H]1NCc1cocn1 ZINC000310004012 322964619 /nfs/dbraw/zinc/96/46/19/322964619.db2.gz FWOULRASJRAYEZ-WCQYABFASA-N 0 3 222.332 3.123 20 0 BGADHN CCC[C@@H]1CCCC[C@@H]1NCc1cocn1 ZINC000310004013 383908687 /nfs/dbraw/zinc/90/86/87/383908687.db2.gz FWOULRASJRAYEZ-YPMHNXCESA-N 0 3 222.332 3.123 20 0 BGADHN CCCC[C@@H](C)[C@@H](C)NCc1snnc1C ZINC000310004345 388472005 /nfs/dbraw/zinc/47/20/05/388472005.db2.gz FZHFFEILYPYDOQ-NXEZZACHSA-N 0 3 241.404 3.151 20 0 BGADHN CCCC[C@H](C)[C@H](C)NCc1snnc1C ZINC000310004347 388472356 /nfs/dbraw/zinc/47/23/56/388472356.db2.gz FZHFFEILYPYDOQ-UWVGGRQHSA-N 0 3 241.404 3.151 20 0 BGADHN CCCC[C@H](C)[C@@H](C)NCc1snnc1C ZINC000310004349 388472076 /nfs/dbraw/zinc/47/20/76/388472076.db2.gz FZHFFEILYPYDOQ-VHSXEESVSA-N 0 3 241.404 3.151 20 0 BGADHN CCCC[C@@H](C)[C@H](C)NCc1snnc1C ZINC000310004350 388472440 /nfs/dbraw/zinc/47/24/40/388472440.db2.gz FZHFFEILYPYDOQ-ZJUUUORDSA-N 0 3 241.404 3.151 20 0 BGADHN CCC(CC)(CC)CNCc1cc(C)no1 ZINC000310004647 491159032 /nfs/dbraw/zinc/15/90/32/491159032.db2.gz GCMFMSUTSPOBJI-UHFFFAOYSA-N 0 3 224.348 3.289 20 0 BGADHN CC[C@@H](NCc1csc(C2CC2)n1)C1CC1 ZINC000310006435 491159022 /nfs/dbraw/zinc/15/90/22/491159022.db2.gz GVDFRTCLSDVZDV-GFCCVEGCSA-N 0 3 236.384 3.299 20 0 BGADHN CC[C@H](NCc1csc(C2CC2)n1)C1CC1 ZINC000310006436 491159020 /nfs/dbraw/zinc/15/90/20/491159020.db2.gz GVDFRTCLSDVZDV-LBPRGKRZSA-N 0 3 236.384 3.299 20 0 BGADHN CC[C@@H]1CCC[C@H]1N[C@H](C)c1cc(C)on1 ZINC000310007673 171003018 /nfs/dbraw/zinc/00/30/18/171003018.db2.gz HJUGOHPWNIFOFV-IJLUTSLNSA-N 0 3 222.332 3.212 20 0 BGADHN CC[C@@H]1CCC[C@H]1N[C@@H](C)c1cc(C)on1 ZINC000310007674 171001628 /nfs/dbraw/zinc/00/16/28/171001628.db2.gz HJUGOHPWNIFOFV-QJPTWQEYSA-N 0 3 222.332 3.212 20 0 BGADHN CC[C@@H]1CCC[C@@H]1N[C@@H](C)c1cc(C)on1 ZINC000310007676 344495409 /nfs/dbraw/zinc/49/54/09/344495409.db2.gz HJUGOHPWNIFOFV-TUAOUCFPSA-N 0 3 222.332 3.212 20 0 BGADHN CC[C@@H]1CCC[C@@H]1N[C@H](C)c1cc(C)on1 ZINC000310007677 347217848 /nfs/dbraw/zinc/21/78/48/347217848.db2.gz HJUGOHPWNIFOFV-UTUOFQBUSA-N 0 3 222.332 3.212 20 0 BGADHN CCC(CC)CN[C@@H](C)c1ccncc1F ZINC000310008087 168363287 /nfs/dbraw/zinc/36/32/87/168363287.db2.gz HNLHAFPDHMYTQK-JTQLQIEISA-N 0 3 224.323 3.308 20 0 BGADHN CCC(CC)CN[C@H](C)c1ccncc1F ZINC000310008088 168364317 /nfs/dbraw/zinc/36/43/17/168364317.db2.gz HNLHAFPDHMYTQK-SNVBAGLBSA-N 0 3 224.323 3.308 20 0 BGADHN CC[C@H](NCc1nnc(C(C)C)s1)C(C)C ZINC000310010074 384784397 /nfs/dbraw/zinc/78/43/97/384784397.db2.gz IHLDMBGFCNMFCK-JTQLQIEISA-N 0 3 241.404 3.186 20 0 BGADHN CC[C@@H](NCc1nnc(C(C)C)s1)C(C)C ZINC000310010075 170905292 /nfs/dbraw/zinc/90/52/92/170905292.db2.gz IHLDMBGFCNMFCK-SNVBAGLBSA-N 0 3 241.404 3.186 20 0 BGADHN CCC(CC)(CC)CNCc1n[nH]cc1C ZINC000310010488 168315968 /nfs/dbraw/zinc/31/59/68/168315968.db2.gz IJQDXHHMTRPEPB-UHFFFAOYSA-N 0 3 223.364 3.024 20 0 BGADHN CC[C@H](F)CN[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000310012483 343147634 /nfs/dbraw/zinc/14/76/34/343147634.db2.gz JDGOGPGNNLQVCX-LPEHRKFASA-N 0 3 241.272 3.445 20 0 BGADHN CCC[C@@H]1C[C@@H]1N[C@H](C)c1ccncc1F ZINC000310012485 384783711 /nfs/dbraw/zinc/78/37/11/384783711.db2.gz JDJHMGARBXADTQ-BREBYQMCSA-N 0 3 222.307 3.060 20 0 BGADHN CCC[C@@H]1C[C@@H]1N[C@@H](C)c1ccncc1F ZINC000310012487 384783202 /nfs/dbraw/zinc/78/32/02/384783202.db2.gz JDJHMGARBXADTQ-CWSCBRNRSA-N 0 3 222.307 3.060 20 0 BGADHN CCC[C@@H]1C[C@H]1N[C@H](C)c1ccncc1F ZINC000310012489 385021308 /nfs/dbraw/zinc/02/13/08/385021308.db2.gz JDJHMGARBXADTQ-GIPNMCIBSA-N 0 3 222.307 3.060 20 0 BGADHN CCC[C@@H]1C[C@H]1N[C@@H](C)c1ccncc1F ZINC000310012491 384784082 /nfs/dbraw/zinc/78/40/82/384784082.db2.gz JDJHMGARBXADTQ-OPQQBVKSSA-N 0 3 222.307 3.060 20 0 BGADHN CC[C@@H](NCCC1CC1)c1c(C)noc1C ZINC000310013210 410995098 /nfs/dbraw/zinc/99/50/98/410995098.db2.gz JOSSTQCDLLDPLL-GFCCVEGCSA-N 0 3 222.332 3.132 20 0 BGADHN CC[C@H](NCCC1CC1)c1c(C)noc1C ZINC000310013211 410996229 /nfs/dbraw/zinc/99/62/29/410996229.db2.gz JOSSTQCDLLDPLL-LBPRGKRZSA-N 0 3 222.332 3.132 20 0 BGADHN CC[C@H](C)[C@@H](C)N[C@@H](C)c1ccncc1F ZINC000310013662 171366227 /nfs/dbraw/zinc/36/62/27/171366227.db2.gz JWEMYCHINPRGHT-AXFHLTTASA-N 0 3 224.323 3.306 20 0 BGADHN CC[C@H](C)[C@H](C)N[C@@H](C)c1ccncc1F ZINC000310013665 171390400 /nfs/dbraw/zinc/39/04/00/171390400.db2.gz JWEMYCHINPRGHT-DCAQKATOSA-N 0 3 224.323 3.306 20 0 BGADHN CC[C@H](C)[C@H](C)N[C@H](C)c1ccncc1F ZINC000310013669 171391434 /nfs/dbraw/zinc/39/14/34/171391434.db2.gz JWEMYCHINPRGHT-GARJFASQSA-N 0 3 224.323 3.306 20 0 BGADHN CC[C@H](C)[C@@H](C)N[C@H](C)c1ccncc1F ZINC000310013672 171367044 /nfs/dbraw/zinc/36/70/44/171367044.db2.gz JWEMYCHINPRGHT-HBNTYKKESA-N 0 3 224.323 3.306 20 0 BGADHN CCC1(CN[C@H](C)c2ncc[nH]2)CCCC1 ZINC000310014385 491160128 /nfs/dbraw/zinc/16/01/28/491160128.db2.gz KFEJVVFUXJTHGS-LLVKDONJSA-N 0 3 221.348 3.031 20 0 BGADHN CCC1(CN[C@@H](C)c2ncc[nH]2)CCCC1 ZINC000310014386 491160144 /nfs/dbraw/zinc/16/01/44/491160144.db2.gz KFEJVVFUXJTHGS-NSHDSACASA-N 0 3 221.348 3.031 20 0 BGADHN CCC(CC)(CC)CN[C@H](C)c1ncc[nH]1 ZINC000310015213 491160176 /nfs/dbraw/zinc/16/01/76/491160176.db2.gz KOQMLZDBLDHSQM-LLVKDONJSA-N 0 3 223.364 3.277 20 0 BGADHN CCC(CC)(CC)CN[C@@H](C)c1ncc[nH]1 ZINC000310015214 491160152 /nfs/dbraw/zinc/16/01/52/491160152.db2.gz KOQMLZDBLDHSQM-NSHDSACASA-N 0 3 223.364 3.277 20 0 BGADHN CCCC(CCC)NCc1ccc(F)cn1 ZINC000310015663 384564015 /nfs/dbraw/zinc/56/40/15/384564015.db2.gz KUPSKMNVXVYOKP-UHFFFAOYSA-N 0 3 224.323 3.279 20 0 BGADHN CC/C=C\CCN[C@@H](C)c1cncc(F)c1 ZINC000310016724 384795512 /nfs/dbraw/zinc/79/55/12/384795512.db2.gz LEILMDZGXDZTRU-WYGGZMRJSA-N 0 3 222.307 3.228 20 0 BGADHN CC/C=C/CCN[C@@H](C)c1cncc(F)c1 ZINC000310016725 384796564 /nfs/dbraw/zinc/79/65/64/384796564.db2.gz LEILMDZGXDZTRU-ZWNMCFTASA-N 0 3 222.307 3.228 20 0 BGADHN CC[C@@H]1CC[C@@H]1N[C@H](C)c1ccncc1F ZINC000310017246 384796920 /nfs/dbraw/zinc/79/69/20/384796920.db2.gz LIVUPFGNJOTFNV-BREBYQMCSA-N 0 3 222.307 3.060 20 0 BGADHN CC[C@@H]1CC[C@@H]1N[C@@H](C)c1ccncc1F ZINC000310017247 171044021 /nfs/dbraw/zinc/04/40/21/171044021.db2.gz LIVUPFGNJOTFNV-CWSCBRNRSA-N 0 3 222.307 3.060 20 0 BGADHN CC[C@@H]1CC[C@H]1N[C@H](C)c1ccncc1F ZINC000310017248 171061264 /nfs/dbraw/zinc/06/12/64/171061264.db2.gz LIVUPFGNJOTFNV-GIPNMCIBSA-N 0 3 222.307 3.060 20 0 BGADHN CC[C@@H]1CC[C@H]1N[C@@H](C)c1ccncc1F ZINC000310017249 171060632 /nfs/dbraw/zinc/06/06/32/171060632.db2.gz LIVUPFGNJOTFNV-OPQQBVKSSA-N 0 3 222.307 3.060 20 0 BGADHN CCC1CC(NCc2ccc(F)cc2F)C1 ZINC000310019618 384787646 /nfs/dbraw/zinc/78/76/46/384787646.db2.gz MMWFIESJNYAGRC-UHFFFAOYSA-N 0 3 225.282 3.243 20 0 BGADHN CCCC[C@H](CCC)N[C@H](C)c1ncc[nH]1 ZINC000310019658 491160237 /nfs/dbraw/zinc/16/02/37/491160237.db2.gz MOMZHYFTSBBPBI-NEPJUHHUSA-N 0 3 223.364 3.419 20 0 BGADHN CCCC[C@@H](CCC)N[C@@H](C)c1ncc[nH]1 ZINC000310019659 491105031 /nfs/dbraw/zinc/10/50/31/491105031.db2.gz MOMZHYFTSBBPBI-NWDGAFQWSA-N 0 3 223.364 3.419 20 0 BGADHN CCCC[C@H](CCC)N[C@@H](C)c1ncc[nH]1 ZINC000310019660 491160211 /nfs/dbraw/zinc/16/02/11/491160211.db2.gz MOMZHYFTSBBPBI-RYUDHWBXSA-N 0 3 223.364 3.419 20 0 BGADHN CCCC[C@@H](CCC)N[C@H](C)c1ncc[nH]1 ZINC000310019661 491160225 /nfs/dbraw/zinc/16/02/25/491160225.db2.gz MOMZHYFTSBBPBI-VXGBXAGGSA-N 0 3 223.364 3.419 20 0 BGADHN CCC[C@@H](N[C@@H]1CC1(C)C)c1ccccn1 ZINC000310019912 384786681 /nfs/dbraw/zinc/78/66/81/384786681.db2.gz MQSWPCXHLSERBJ-CHWSQXEVSA-N 0 3 218.344 3.311 20 0 BGADHN CCC[C@@H](N[C@H]1CC1(C)C)c1ccccn1 ZINC000310019913 384786414 /nfs/dbraw/zinc/78/64/14/384786414.db2.gz MQSWPCXHLSERBJ-OLZOCXBDSA-N 0 3 218.344 3.311 20 0 BGADHN CCC[C@H](N[C@@H]1CC1(C)C)c1ccccn1 ZINC000310019915 384787226 /nfs/dbraw/zinc/78/72/26/384787226.db2.gz MQSWPCXHLSERBJ-QWHCGFSZSA-N 0 3 218.344 3.311 20 0 BGADHN CCC[C@H](N[C@H]1CC1(C)C)c1ccccn1 ZINC000310019917 384786662 /nfs/dbraw/zinc/78/66/62/384786662.db2.gz MQSWPCXHLSERBJ-STQMWFEESA-N 0 3 218.344 3.311 20 0 BGADHN CC[C@@H](NCCF)C(C)(C)c1ccccc1 ZINC000310020590 388473640 /nfs/dbraw/zinc/47/36/40/388473640.db2.gz NCFZAVFVSYROSO-CYBMUJFWSA-N 0 3 223.335 3.302 20 0 BGADHN CC[C@H](NCCF)C(C)(C)c1ccccc1 ZINC000310020591 388473621 /nfs/dbraw/zinc/47/36/21/388473621.db2.gz NCFZAVFVSYROSO-ZDUSSCGKSA-N 0 3 223.335 3.302 20 0 BGADHN CCCC[C@@H](CCC)NCc1cc(C)on1 ZINC000310023351 388473778 /nfs/dbraw/zinc/47/37/78/388473778.db2.gz OGYOTGBAKQQTIU-GFCCVEGCSA-N 0 3 224.348 3.432 20 0 BGADHN CCCC[C@H](CCC)NCc1cc(C)on1 ZINC000310023352 388473617 /nfs/dbraw/zinc/47/36/17/388473617.db2.gz OGYOTGBAKQQTIU-LBPRGKRZSA-N 0 3 224.348 3.432 20 0 BGADHN CCCCCNCc1nc2ccccc2o1 ZINC000310024327 343215029 /nfs/dbraw/zinc/21/50/29/343215029.db2.gz OPTSWUKOLISKON-UHFFFAOYSA-N 0 3 218.300 3.108 20 0 BGADHN CC[C@H]1CCC[C@@H]1NCc1ccncc1Cl ZINC000310025146 171625783 /nfs/dbraw/zinc/62/57/83/171625783.db2.gz OWBPLBXLVLSIRG-GWCFXTLKSA-N 0 3 238.762 3.403 20 0 BGADHN CC[C@H]1CCC[C@H]1NCc1ccncc1Cl ZINC000310025147 171628270 /nfs/dbraw/zinc/62/82/70/171628270.db2.gz OWBPLBXLVLSIRG-GXFFZTMASA-N 0 3 238.762 3.403 20 0 BGADHN CC[C@@H]1CCC[C@@H]1NCc1ccncc1Cl ZINC000310025148 344509412 /nfs/dbraw/zinc/50/94/12/344509412.db2.gz OWBPLBXLVLSIRG-MFKMUULPSA-N 0 3 238.762 3.403 20 0 BGADHN CC[C@@H]1CCC[C@H]1NCc1ccncc1Cl ZINC000310025150 171001847 /nfs/dbraw/zinc/00/18/47/171001847.db2.gz OWBPLBXLVLSIRG-ZWNOBZJWSA-N 0 3 238.762 3.403 20 0 BGADHN CCCC[C@H](COC)NCc1cscc1C ZINC000310025968 169004197 /nfs/dbraw/zinc/00/41/97/169004197.db2.gz PHTXQTAUGCODEU-CYBMUJFWSA-N 0 3 241.400 3.351 20 0 BGADHN CCCC[C@@H](COC)NCc1cscc1C ZINC000310025969 384790437 /nfs/dbraw/zinc/79/04/37/384790437.db2.gz PHTXQTAUGCODEU-ZDUSSCGKSA-N 0 3 241.400 3.351 20 0 BGADHN CC[C@H](C)N[C@@H](COC)c1cccc(Cl)c1 ZINC000310026982 384571579 /nfs/dbraw/zinc/57/15/79/384571579.db2.gz PUVRAALNADWUEY-GWCFXTLKSA-N 0 3 241.762 3.416 20 0 BGADHN CC[C@H](C)N[C@H](COC)c1cccc(Cl)c1 ZINC000310026983 529182884 /nfs/dbraw/zinc/18/28/84/529182884.db2.gz PUVRAALNADWUEY-GXFFZTMASA-N 0 3 241.762 3.416 20 0 BGADHN CC[C@@H](C)N[C@@H](COC)c1cccc(Cl)c1 ZINC000310026984 384572777 /nfs/dbraw/zinc/57/27/77/384572777.db2.gz PUVRAALNADWUEY-MFKMUULPSA-N 0 3 241.762 3.416 20 0 BGADHN CC[C@@H](C)N[C@H](COC)c1cccc(Cl)c1 ZINC000310026985 384572406 /nfs/dbraw/zinc/57/24/06/384572406.db2.gz PUVRAALNADWUEY-ZWNOBZJWSA-N 0 3 241.762 3.416 20 0 BGADHN CC[C@H](C)CNC1(c2nc(C)cs2)CCC1 ZINC000310029542 171283508 /nfs/dbraw/zinc/28/35/08/171283508.db2.gz QQLWQRQAFBTTIQ-JTQLQIEISA-N 0 3 238.400 3.466 20 0 BGADHN CC[C@@H](C)CNC1(c2nc(C)cs2)CCC1 ZINC000310029544 384792645 /nfs/dbraw/zinc/79/26/45/384792645.db2.gz QQLWQRQAFBTTIQ-SNVBAGLBSA-N 0 3 238.400 3.466 20 0 BGADHN CC[C@@H](N[C@@H](C)c1cc(C)on1)C(C)(C)C ZINC000310030024 384575450 /nfs/dbraw/zinc/57/54/50/384575450.db2.gz QUPZYUFUBARTIY-CMPLNLGQSA-N 0 3 224.348 3.458 20 0 BGADHN CC[C@H](N[C@@H](C)c1cc(C)on1)C(C)(C)C ZINC000310030025 384576321 /nfs/dbraw/zinc/57/63/21/384576321.db2.gz QUPZYUFUBARTIY-JQWIXIFHSA-N 0 3 224.348 3.458 20 0 BGADHN CC[C@H](N[C@H](C)c1cc(C)on1)C(C)(C)C ZINC000310030026 384574135 /nfs/dbraw/zinc/57/41/35/384574135.db2.gz QUPZYUFUBARTIY-PWSUYJOCSA-N 0 3 224.348 3.458 20 0 BGADHN CC[C@@H](N[C@H](C)c1cc(C)on1)C(C)(C)C ZINC000310030027 384574160 /nfs/dbraw/zinc/57/41/60/384574160.db2.gz QUPZYUFUBARTIY-ZYHUDNBSSA-N 0 3 224.348 3.458 20 0 BGADHN CCCCNCc1coc(-c2cccs2)n1 ZINC000310031976 632695011 /nfs/dbraw/zinc/69/50/11/632695011.db2.gz RIJOLVQAQYYGCL-UHFFFAOYSA-N 0 3 236.340 3.293 20 0 BGADHN CCC1(CN[C@@H](C)c2ccncc2F)CC1 ZINC000310032478 384799715 /nfs/dbraw/zinc/79/97/15/384799715.db2.gz RMWQIFGGKJYGEW-JTQLQIEISA-N 0 3 222.307 3.062 20 0 BGADHN CCC1(CN[C@H](C)c2ccncc2F)CC1 ZINC000310032480 384798951 /nfs/dbraw/zinc/79/89/51/384798951.db2.gz RMWQIFGGKJYGEW-SNVBAGLBSA-N 0 3 222.307 3.062 20 0 BGADHN CCC1CC(NCc2cc(F)cc(F)c2)C1 ZINC000310032638 384798990 /nfs/dbraw/zinc/79/89/90/384798990.db2.gz ROOFUQGITZKWKQ-UHFFFAOYSA-N 0 3 225.282 3.243 20 0 BGADHN CC[C@@H](NCc1cocn1)C1CCCCC1 ZINC000310032912 491159776 /nfs/dbraw/zinc/15/97/76/491159776.db2.gz RRBVWTJRJHYNBN-CYBMUJFWSA-N 0 3 222.332 3.123 20 0 BGADHN CC[C@H](NCc1cocn1)C1CCCCC1 ZINC000310032913 491159768 /nfs/dbraw/zinc/15/97/68/491159768.db2.gz RRBVWTJRJHYNBN-ZDUSSCGKSA-N 0 3 222.332 3.123 20 0 BGADHN CCC1CC(N[C@@H](C)c2cncc(F)c2)C1 ZINC000310033080 384800411 /nfs/dbraw/zinc/80/04/11/384800411.db2.gz RUCULQIWJAPOQX-JBLZRFIASA-N 0 3 222.307 3.060 20 0 BGADHN CCC1CC(N[C@H](C)c2cncc(F)c2)C1 ZINC000310033082 384800667 /nfs/dbraw/zinc/80/06/67/384800667.db2.gz RUCULQIWJAPOQX-TTXORMCVSA-N 0 3 222.307 3.060 20 0 BGADHN CCCCNCc1nc2ccc(F)cc2s1 ZINC000310033109 168871093 /nfs/dbraw/zinc/87/10/93/168871093.db2.gz RVFLMASIDYYHTM-UHFFFAOYSA-N 0 3 238.331 3.325 20 0 BGADHN CC/C=C\CCN[C@H](C)c1ccncc1F ZINC000310034086 384799191 /nfs/dbraw/zinc/79/91/91/384799191.db2.gz SGGNWFVDRZMBMP-DOGVGXBMSA-N 0 3 222.307 3.228 20 0 BGADHN CC/C=C/CCN[C@H](C)c1ccncc1F ZINC000310034087 384800699 /nfs/dbraw/zinc/80/06/99/384800699.db2.gz SGGNWFVDRZMBMP-SGUJLRQBSA-N 0 3 222.307 3.228 20 0 BGADHN CC/C=C\CCN[C@@H](C)c1ccncc1F ZINC000310034088 384800313 /nfs/dbraw/zinc/80/03/13/384800313.db2.gz SGGNWFVDRZMBMP-WYGGZMRJSA-N 0 3 222.307 3.228 20 0 BGADHN CC/C=C/CCN[C@@H](C)c1ccncc1F ZINC000310034089 384799159 /nfs/dbraw/zinc/79/91/59/384799159.db2.gz SGGNWFVDRZMBMP-ZWNMCFTASA-N 0 3 222.307 3.228 20 0 BGADHN CC[C@H]1CC[C@H]1NCc1cc(C(C)C)no1 ZINC000310035690 491159846 /nfs/dbraw/zinc/15/98/46/491159846.db2.gz UBYXDRXUMNPWEI-CMPLNLGQSA-N 0 3 222.332 3.076 20 0 BGADHN CC[C@H]1CC[C@@H]1NCc1cc(C(C)C)no1 ZINC000310035691 491159809 /nfs/dbraw/zinc/15/98/09/491159809.db2.gz UBYXDRXUMNPWEI-JQWIXIFHSA-N 0 3 222.332 3.076 20 0 BGADHN CC[C@@H]1CC[C@@H]1NCc1cc(C(C)C)no1 ZINC000310035692 491159812 /nfs/dbraw/zinc/15/98/12/491159812.db2.gz UBYXDRXUMNPWEI-PWSUYJOCSA-N 0 3 222.332 3.076 20 0 BGADHN CC[C@@H]1CC[C@H]1NCc1cc(C(C)C)no1 ZINC000310035693 491159803 /nfs/dbraw/zinc/15/98/03/491159803.db2.gz UBYXDRXUMNPWEI-ZYHUDNBSSA-N 0 3 222.332 3.076 20 0 BGADHN CCc1nc(C)c(CN[C@H](CC)C(C)C)o1 ZINC000310035835 347221361 /nfs/dbraw/zinc/22/13/61/347221361.db2.gz UDLRUUSCCLJBPD-LLVKDONJSA-N 0 3 224.348 3.070 20 0 BGADHN CCc1nc(C)c(CN[C@@H](CC)C(C)C)o1 ZINC000310035836 171953923 /nfs/dbraw/zinc/95/39/23/171953923.db2.gz UDLRUUSCCLJBPD-NSHDSACASA-N 0 3 224.348 3.070 20 0 BGADHN CC[C@@H](C)N[C@@H]1COCc2cccc(Cl)c21 ZINC000310037481 632696207 /nfs/dbraw/zinc/69/62/07/632696207.db2.gz VDTIZVSNUARWCB-BXKDBHETSA-N 0 3 239.746 3.299 20 0 BGADHN CC[C@H](C)N[C@H]1COCc2cccc(Cl)c21 ZINC000310037482 632695961 /nfs/dbraw/zinc/69/59/61/632695961.db2.gz VDTIZVSNUARWCB-CABZTGNLSA-N 0 3 239.746 3.299 20 0 BGADHN CC[C@H](C)N[C@@H]1COCc2cccc(Cl)c21 ZINC000310037483 632696387 /nfs/dbraw/zinc/69/63/87/632696387.db2.gz VDTIZVSNUARWCB-JOYOIKCWSA-N 0 3 239.746 3.299 20 0 BGADHN CC[C@@H](C)N[C@H]1COCc2cccc(Cl)c21 ZINC000310037484 634100133 /nfs/dbraw/zinc/10/01/33/634100133.db2.gz VDTIZVSNUARWCB-SKDRFNHKSA-N 0 3 239.746 3.299 20 0 BGADHN CC[C@H](C[C@@H](C)CC)NCc1snnc1C ZINC000310037602 171296064 /nfs/dbraw/zinc/29/60/64/171296064.db2.gz VHLZWJKEOONPGS-GXSJLCMTSA-N 0 3 241.404 3.151 20 0 BGADHN CC[C@@H](C)C[C@H](CC)NCc1snnc1C ZINC000310037603 384805856 /nfs/dbraw/zinc/80/58/56/384805856.db2.gz VHLZWJKEOONPGS-KOLCDFICSA-N 0 3 241.404 3.151 20 0 BGADHN CC[C@@H](C)C[C@@H](CC)NCc1snnc1C ZINC000310037604 384805794 /nfs/dbraw/zinc/80/57/94/384805794.db2.gz VHLZWJKEOONPGS-MWLCHTKSSA-N 0 3 241.404 3.151 20 0 BGADHN CC[C@H](C)C[C@H](CC)NCc1snnc1C ZINC000310037605 171299182 /nfs/dbraw/zinc/29/91/82/171299182.db2.gz VHLZWJKEOONPGS-ONGXEEELSA-N 0 3 241.404 3.151 20 0 BGADHN FC1(CNC2CC(c3ccccc3)C2)CC1 ZINC000310040955 323127126 /nfs/dbraw/zinc/12/71/26/323127126.db2.gz YAKZSQWUOVKDCJ-UHFFFAOYSA-N 0 3 219.303 3.024 20 0 BGADHN CCc1nc(C)c(CN[C@H](C)[C@H](C)CC)o1 ZINC000310042806 347224150 /nfs/dbraw/zinc/22/41/50/347224150.db2.gz ZSYPPHXWXRIVNE-NXEZZACHSA-N 0 3 224.348 3.070 20 0 BGADHN CCc1nc(C)c(CN[C@@H](C)[C@@H](C)CC)o1 ZINC000310042807 347224265 /nfs/dbraw/zinc/22/42/65/347224265.db2.gz ZSYPPHXWXRIVNE-UWVGGRQHSA-N 0 3 224.348 3.070 20 0 BGADHN CCc1nc(C)c(CN[C@H](C)[C@@H](C)CC)o1 ZINC000310042808 347223950 /nfs/dbraw/zinc/22/39/50/347223950.db2.gz ZSYPPHXWXRIVNE-VHSXEESVSA-N 0 3 224.348 3.070 20 0 BGADHN CCc1nc(C)c(CN[C@@H](C)[C@H](C)CC)o1 ZINC000310042809 347224090 /nfs/dbraw/zinc/22/40/90/347224090.db2.gz ZSYPPHXWXRIVNE-ZJUUUORDSA-N 0 3 224.348 3.070 20 0 BGADHN CC[C@H](C)N[C@H]1c2ccc(F)cc2O[C@@H]1C ZINC000310042898 171349183 /nfs/dbraw/zinc/34/91/83/171349183.db2.gz ZVZPEWGETIWWTB-IGJMFERPSA-N 0 3 223.291 3.036 20 0 BGADHN CC[C@H](C)N[C@H]1c2ccc(F)cc2O[C@H]1C ZINC000310042899 171348794 /nfs/dbraw/zinc/34/87/94/171348794.db2.gz ZVZPEWGETIWWTB-MWODSPESSA-N 0 3 223.291 3.036 20 0 BGADHN CC[C@H](C)N[C@@H]1c2ccc(F)cc2O[C@H]1C ZINC000310042900 171347245 /nfs/dbraw/zinc/34/72/45/171347245.db2.gz ZVZPEWGETIWWTB-RVBZMBCESA-N 0 3 223.291 3.036 20 0 BGADHN CC[C@H](C)N[C@@H]1c2ccc(F)cc2O[C@@H]1C ZINC000310042901 171346829 /nfs/dbraw/zinc/34/68/29/171346829.db2.gz ZVZPEWGETIWWTB-RWEMILLDSA-N 0 3 223.291 3.036 20 0 BGADHN CC[C@@H](NCCC(C)(C)O)c1ccccc1F ZINC000310109703 384843253 /nfs/dbraw/zinc/84/32/53/384843253.db2.gz QSMBPCDWFDOKSI-CYBMUJFWSA-N 0 3 239.334 3.027 20 0 BGADHN CC[C@H](NCCC(C)(C)O)c1ccccc1F ZINC000310109704 384843698 /nfs/dbraw/zinc/84/36/98/384843698.db2.gz QSMBPCDWFDOKSI-ZDUSSCGKSA-N 0 3 239.334 3.027 20 0 BGADHN CCC[N@H+](Cc1cc([O-])cc(F)c1)CC(C)C ZINC000310122139 169172829 /nfs/dbraw/zinc/17/28/29/169172829.db2.gz VHHJYNGVTPNOAO-UHFFFAOYSA-N 0 3 239.334 3.399 20 0 BGADHN CCC[N@@H+](Cc1cc([O-])cc(F)c1)CC(C)C ZINC000310122139 169172827 /nfs/dbraw/zinc/17/28/27/169172827.db2.gz VHHJYNGVTPNOAO-UHFFFAOYSA-N 0 3 239.334 3.399 20 0 BGADHN Cc1sccc1CNCCOc1ccccc1 ZINC000310123198 384855662 /nfs/dbraw/zinc/85/56/62/384855662.db2.gz AEGIMCSDKCMHCE-UHFFFAOYSA-N 0 3 247.363 3.225 20 0 BGADHN C[C@@H](NCC(C)(C)C(C)(C)C)c1nccn1C ZINC000310151631 384860788 /nfs/dbraw/zinc/86/07/88/384860788.db2.gz ILRDVJKRWXODEZ-LLVKDONJSA-N 0 3 237.391 3.143 20 0 BGADHN C[C@H](NCC(C)(C)C(C)(C)C)c1nccn1C ZINC000310151633 384861155 /nfs/dbraw/zinc/86/11/55/384861155.db2.gz ILRDVJKRWXODEZ-NSHDSACASA-N 0 3 237.391 3.143 20 0 BGADHN Cc1cc(CNC(C2CCC2)C2CCC2)on1 ZINC000310152809 178016694 /nfs/dbraw/zinc/01/66/94/178016694.db2.gz IBADWNQBWNKNLJ-UHFFFAOYSA-N 0 3 234.343 3.041 20 0 BGADHN CC(C)C1CCC(CNCc2ccno2)CC1 ZINC000310154883 343312601 /nfs/dbraw/zinc/31/26/01/343312601.db2.gz OENPQCVIEZDLKI-UHFFFAOYSA-N 0 3 236.359 3.227 20 0 BGADHN c1cc(CN[C@@H]2CCCCC23CCCC3)on1 ZINC000310174651 183351529 /nfs/dbraw/zinc/35/15/29/183351529.db2.gz VCYOFAXCCYLXTD-CYBMUJFWSA-N 0 3 234.343 3.267 20 0 BGADHN c1cc(CN[C@H]2CCCCC23CCCC3)on1 ZINC000310174652 183353884 /nfs/dbraw/zinc/35/38/84/183353884.db2.gz VCYOFAXCCYLXTD-ZDUSSCGKSA-N 0 3 234.343 3.267 20 0 BGADHN Cc1ccc(F)cc1CN[C@@H]1CCC(F)(F)C1 ZINC000310184269 491160678 /nfs/dbraw/zinc/16/06/78/491160678.db2.gz UXSSBYNJEJCDHC-GFCCVEGCSA-N 0 3 243.272 3.412 20 0 BGADHN Cc1ccc(F)cc1CN[C@H]1CCC(F)(F)C1 ZINC000310184270 491160684 /nfs/dbraw/zinc/16/06/84/491160684.db2.gz UXSSBYNJEJCDHC-LBPRGKRZSA-N 0 3 243.272 3.412 20 0 BGADHN CC(C)(C)C(C)(C)[NH2+]Cc1cc([O-])cc(F)c1 ZINC000310187611 398054432 /nfs/dbraw/zinc/05/44/32/398054432.db2.gz XZTRMCFOJRIDHY-UHFFFAOYSA-N 0 3 239.334 3.446 20 0 BGADHN CCCCOCCNC(C)(C)c1ccccc1 ZINC000310202963 388477655 /nfs/dbraw/zinc/47/76/55/388477655.db2.gz ALWGXBSQLVFEEK-UHFFFAOYSA-N 0 3 235.371 3.328 20 0 BGADHN COc1ccc(C)cc1CN[C@H]1CCC1(C)C ZINC000310220066 175076084 /nfs/dbraw/zinc/07/60/84/175076084.db2.gz WWEHNVCDJCLZPA-AWEZNQCLSA-N 0 3 233.355 3.282 20 0 BGADHN COc1ccc(C)cc1CN[C@@H]1CCC1(C)C ZINC000310220067 175076143 /nfs/dbraw/zinc/07/61/43/175076143.db2.gz WWEHNVCDJCLZPA-CQSZACIVSA-N 0 3 233.355 3.282 20 0 BGADHN Cc1cc(CN[C@@H](CCC(C)C)C2CC2)on1 ZINC000310230170 178031988 /nfs/dbraw/zinc/03/19/88/178031988.db2.gz PEILJQFLAAFULT-AWEZNQCLSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1cc(CN[C@H](CCC(C)C)C2CC2)on1 ZINC000310230172 178039074 /nfs/dbraw/zinc/03/90/74/178039074.db2.gz PEILJQFLAAFULT-CQSZACIVSA-N 0 3 236.359 3.287 20 0 BGADHN C[C@H](N[C@@H]1CCC(F)(F)C1)c1cccc(O)c1 ZINC000310238221 488120619 /nfs/dbraw/zinc/12/06/19/488120619.db2.gz ICLLYPLPTVPBJS-GXSJLCMTSA-N 0 3 241.281 3.231 20 0 BGADHN C[C@@H](N[C@H]1CCC(F)(F)C1)c1cccc(O)c1 ZINC000310238223 488120670 /nfs/dbraw/zinc/12/06/70/488120670.db2.gz ICLLYPLPTVPBJS-KOLCDFICSA-N 0 3 241.281 3.231 20 0 BGADHN C[C@@H](N[C@@H]1CCC(F)(F)C1)c1cccc(O)c1 ZINC000310238224 488120541 /nfs/dbraw/zinc/12/05/41/488120541.db2.gz ICLLYPLPTVPBJS-MWLCHTKSSA-N 0 3 241.281 3.231 20 0 BGADHN C[C@H](N[C@H]1CCC(F)(F)C1)c1cccc(O)c1 ZINC000310238227 488120456 /nfs/dbraw/zinc/12/04/56/488120456.db2.gz ICLLYPLPTVPBJS-ONGXEEELSA-N 0 3 241.281 3.231 20 0 BGADHN CCSCCNCc1cnc2ccccc2c1 ZINC000310241694 384099538 /nfs/dbraw/zinc/09/95/38/384099538.db2.gz TUXYKCIBWDXGOS-UHFFFAOYSA-N 0 3 246.379 3.078 20 0 BGADHN CC(C)Oc1ccccc1CN[C@@H]1CC[C@@H]1C ZINC000310269304 167310696 /nfs/dbraw/zinc/31/06/96/167310696.db2.gz IBNHJKXNPCQMDN-GXTWGEPZSA-N 0 3 233.355 3.362 20 0 BGADHN CC(C)Oc1ccccc1CN[C@H]1CC[C@@H]1C ZINC000310269305 167310318 /nfs/dbraw/zinc/31/03/18/167310318.db2.gz IBNHJKXNPCQMDN-JSGCOSHPSA-N 0 3 233.355 3.362 20 0 BGADHN CC(C)Oc1ccccc1CN[C@H]1CC[C@H]1C ZINC000310269306 167310541 /nfs/dbraw/zinc/31/05/41/167310541.db2.gz IBNHJKXNPCQMDN-OCCSQVGLSA-N 0 3 233.355 3.362 20 0 BGADHN CC(C)Oc1ccccc1CN[C@@H]1CC[C@H]1C ZINC000310269307 167309429 /nfs/dbraw/zinc/30/94/29/167309429.db2.gz IBNHJKXNPCQMDN-TZMCWYRMSA-N 0 3 233.355 3.362 20 0 BGADHN COc1ccc(F)cc1CNC[C@@H](C)C(C)C ZINC000310310208 388479718 /nfs/dbraw/zinc/47/97/18/388479718.db2.gz WIPYAUMTYZRGIA-LLVKDONJSA-N 0 3 239.334 3.216 20 0 BGADHN COc1ccc(F)cc1CNC[C@H](C)C(C)C ZINC000310310209 259380962 /nfs/dbraw/zinc/38/09/62/259380962.db2.gz WIPYAUMTYZRGIA-NSHDSACASA-N 0 3 239.334 3.216 20 0 BGADHN CC(C)C1CCC(CNCc2ccon2)CC1 ZINC000310329067 491161051 /nfs/dbraw/zinc/16/10/51/491161051.db2.gz XWNSOGZFJUIHLE-UHFFFAOYSA-N 0 3 236.359 3.227 20 0 BGADHN c1cc(CN[C@@H]2CCCCC23CCCC3)n[nH]1 ZINC000310335930 183351502 /nfs/dbraw/zinc/35/15/02/183351502.db2.gz CPEMEJCNPPBZRO-CYBMUJFWSA-N 0 3 233.359 3.002 20 0 BGADHN c1cc(CN[C@H]2CCCCC23CCCC3)n[nH]1 ZINC000310335932 183353160 /nfs/dbraw/zinc/35/31/60/183353160.db2.gz CPEMEJCNPPBZRO-ZDUSSCGKSA-N 0 3 233.359 3.002 20 0 BGADHN COc1cccc(F)c1[C@H](C)NCCCCF ZINC000310351802 175274287 /nfs/dbraw/zinc/27/42/87/175274287.db2.gz HHPTUTZEINKBKF-JTQLQIEISA-N 0 3 243.297 3.235 20 0 BGADHN COc1cccc(F)c1[C@@H](C)NCCCCF ZINC000310351804 175274496 /nfs/dbraw/zinc/27/44/96/175274496.db2.gz HHPTUTZEINKBKF-SNVBAGLBSA-N 0 3 243.297 3.235 20 0 BGADHN COc1ccc([C@H](C)N[C@H]2CC[C@H]2C)c(F)c1 ZINC000310351948 175190186 /nfs/dbraw/zinc/19/01/86/175190186.db2.gz HCSNTHZWQJNDEV-BFVZDQMLSA-N 0 3 237.318 3.283 20 0 BGADHN COc1ccc([C@H](C)N[C@H]2CC[C@@H]2C)c(F)c1 ZINC000310351953 175190128 /nfs/dbraw/zinc/19/01/28/175190128.db2.gz HCSNTHZWQJNDEV-BHDSKKPTSA-N 0 3 237.318 3.283 20 0 BGADHN COc1ccc([C@H](C)N[C@@H]2CC[C@H]2C)c(F)c1 ZINC000310351959 175189741 /nfs/dbraw/zinc/18/97/41/175189741.db2.gz HCSNTHZWQJNDEV-ISTVAULSSA-N 0 3 237.318 3.283 20 0 BGADHN COc1ccc([C@H](C)N[C@@H]2CC[C@@H]2C)c(F)c1 ZINC000310351964 175189096 /nfs/dbraw/zinc/18/90/96/175189096.db2.gz HCSNTHZWQJNDEV-PKFCDNJMSA-N 0 3 237.318 3.283 20 0 BGADHN Cc1cc(CNCCOc2ccccc2)cs1 ZINC000310367007 385006322 /nfs/dbraw/zinc/00/63/22/385006322.db2.gz MLMVRKPODQXGMH-UHFFFAOYSA-N 0 3 247.363 3.225 20 0 BGADHN CC1(C)CC[C@H]1NCc1cc(F)c(F)cc1F ZINC000310372925 188348324 /nfs/dbraw/zinc/34/83/24/188348324.db2.gz OKIPFFNDFMKDPW-GFCCVEGCSA-N 0 3 243.272 3.382 20 0 BGADHN CC1(C)CC[C@@H]1NCc1cc(F)c(F)cc1F ZINC000310372926 347272757 /nfs/dbraw/zinc/27/27/57/347272757.db2.gz OKIPFFNDFMKDPW-LBPRGKRZSA-N 0 3 243.272 3.382 20 0 BGADHN COc1ccc(F)cc1CNC(C)(C)C1CC1 ZINC000310381669 370341794 /nfs/dbraw/zinc/34/17/94/370341794.db2.gz JFNCUSPRUNRPNL-UHFFFAOYSA-N 0 3 237.318 3.113 20 0 BGADHN C[C@H]1CC[C@H]1NCc1ccccc1OC(F)F ZINC000310407511 177207008 /nfs/dbraw/zinc/20/70/08/177207008.db2.gz VZBOBYQTMZMNJJ-GXSJLCMTSA-N 0 3 241.281 3.176 20 0 BGADHN C[C@@H]1CC[C@@H]1NCc1ccccc1OC(F)F ZINC000310407512 176216719 /nfs/dbraw/zinc/21/67/19/176216719.db2.gz VZBOBYQTMZMNJJ-KOLCDFICSA-N 0 3 241.281 3.176 20 0 BGADHN C[C@@H]1CC[C@H]1NCc1ccccc1OC(F)F ZINC000310407514 176236564 /nfs/dbraw/zinc/23/65/64/176236564.db2.gz VZBOBYQTMZMNJJ-MWLCHTKSSA-N 0 3 241.281 3.176 20 0 BGADHN C[C@H]1CC[C@@H]1NCc1ccccc1OC(F)F ZINC000310407516 177195340 /nfs/dbraw/zinc/19/53/40/177195340.db2.gz VZBOBYQTMZMNJJ-ONGXEEELSA-N 0 3 241.281 3.176 20 0 BGADHN c1c[nH]c(CN[C@@H]2CCCCC23CCCC3)n1 ZINC000310412616 183324491 /nfs/dbraw/zinc/32/44/91/183324491.db2.gz PCHQYNIEDRHXJH-GFCCVEGCSA-N 0 3 233.359 3.002 20 0 BGADHN c1c[nH]c(CN[C@H]2CCCCC23CCCC3)n1 ZINC000310412618 183325906 /nfs/dbraw/zinc/32/59/06/183325906.db2.gz PCHQYNIEDRHXJH-LBPRGKRZSA-N 0 3 233.359 3.002 20 0 BGADHN COc1ccc([C@H](C)NCCCCF)c(F)c1 ZINC000310429984 386405000 /nfs/dbraw/zinc/40/50/00/386405000.db2.gz SLVXNNOTSSSIAL-JTQLQIEISA-N 0 3 243.297 3.235 20 0 BGADHN COc1ccc([C@@H](C)NCCCCF)c(F)c1 ZINC000310429986 385064137 /nfs/dbraw/zinc/06/41/37/385064137.db2.gz SLVXNNOTSSSIAL-SNVBAGLBSA-N 0 3 243.297 3.235 20 0 BGADHN Cc1ncccc1CNCc1ccc(Cl)cc1 ZINC000310432182 343490442 /nfs/dbraw/zinc/49/04/42/343490442.db2.gz NMGNDOUYCRZPRR-UHFFFAOYSA-N 0 3 246.741 3.333 20 0 BGADHN CCC1CCC(CNCc2cc(C)no2)CC1 ZINC000310436675 386183974 /nfs/dbraw/zinc/18/39/74/386183974.db2.gz URBUIFPAFMVRHJ-UHFFFAOYSA-N 0 3 236.359 3.289 20 0 BGADHN Cc1cc(CNC[C@@H](C)C2CCCCC2)no1 ZINC000310438910 323131517 /nfs/dbraw/zinc/13/15/17/323131517.db2.gz VLNYTVCNVWDNRR-LLVKDONJSA-N 0 3 236.359 3.289 20 0 BGADHN Cc1cc(CNC[C@H](C)C2CCCCC2)no1 ZINC000310438911 323131428 /nfs/dbraw/zinc/13/14/28/323131428.db2.gz VLNYTVCNVWDNRR-NSHDSACASA-N 0 3 236.359 3.289 20 0 BGADHN COc1ccc(F)cc1CNCCCC(C)C ZINC000310459145 388483082 /nfs/dbraw/zinc/48/30/82/388483082.db2.gz ALAUSJIGLKLIBL-UHFFFAOYSA-N 0 3 239.334 3.360 20 0 BGADHN COc1ccc(F)cc1CN[C@@H]1CCC1(C)C ZINC000310462709 175129806 /nfs/dbraw/zinc/12/98/06/175129806.db2.gz BEEZICMIWSPJGB-CYBMUJFWSA-N 0 3 237.318 3.113 20 0 BGADHN COc1ccc(F)cc1CN[C@H]1CCC1(C)C ZINC000310462710 175130295 /nfs/dbraw/zinc/13/02/95/175130295.db2.gz BEEZICMIWSPJGB-ZDUSSCGKSA-N 0 3 237.318 3.113 20 0 BGADHN Cc1cc(CNCC2CCC(C)(C)CC2)on1 ZINC000310471372 491161667 /nfs/dbraw/zinc/16/16/67/491161667.db2.gz BLVSNWXSEMFPOV-UHFFFAOYSA-N 0 3 236.359 3.289 20 0 BGADHN Cc1cnc(CNC(C2CCC2)C2CCC2)o1 ZINC000310487515 386193585 /nfs/dbraw/zinc/19/35/85/386193585.db2.gz GXOWZJLBKFTTTB-UHFFFAOYSA-N 0 3 234.343 3.041 20 0 BGADHN Cc1noc(C)c1CNCC(C)(C)C(C)(C)C ZINC000310493550 180472928 /nfs/dbraw/zinc/47/29/28/180472928.db2.gz PCUBGEUWSJZQKP-UHFFFAOYSA-N 0 3 238.375 3.453 20 0 BGADHN CC[C@H](CNCc1ccc(C(F)F)cc1)OC ZINC000310509846 323132616 /nfs/dbraw/zinc/13/26/16/323132616.db2.gz UJGKDEYRXUHOSI-GFCCVEGCSA-N 0 3 243.297 3.139 20 0 BGADHN CC[C@@H](CNCc1ccc(C(F)F)cc1)OC ZINC000310509847 323132614 /nfs/dbraw/zinc/13/26/14/323132614.db2.gz UJGKDEYRXUHOSI-LBPRGKRZSA-N 0 3 243.297 3.139 20 0 BGADHN C[C@H](NC(C1CCC1)C1CCC1)c1ncc[nH]1 ZINC000310516343 491161813 /nfs/dbraw/zinc/16/18/13/491161813.db2.gz RUFHCMGNNGSRNS-JTQLQIEISA-N 0 3 233.359 3.029 20 0 BGADHN C[C@@H](NC(C1CCC1)C1CCC1)c1ncc[nH]1 ZINC000310516344 491161790 /nfs/dbraw/zinc/16/17/90/491161790.db2.gz RUFHCMGNNGSRNS-SNVBAGLBSA-N 0 3 233.359 3.029 20 0 BGADHN CCC(CC)CNCc1cc(F)ccc1OC ZINC000310517528 388484186 /nfs/dbraw/zinc/48/41/86/388484186.db2.gz LHLBZQGRRDRCJP-UHFFFAOYSA-N 0 3 239.334 3.360 20 0 BGADHN CCC(CC)(CNCc1ccccc1F)OC ZINC000310550030 168326052 /nfs/dbraw/zinc/32/60/52/168326052.db2.gz UFSMWKSDZOLBEA-UHFFFAOYSA-N 0 3 239.334 3.121 20 0 BGADHN Cc1cc(CN[C@@H](C)C2CCCCCC2)on1 ZINC000310552960 323133306 /nfs/dbraw/zinc/13/33/06/323133306.db2.gz VBENFGZQMVIOAW-LBPRGKRZSA-N 0 3 236.359 3.432 20 0 BGADHN Fc1ccc(CN[C@H]2CCC(F)(F)C2)c(F)c1 ZINC000310575766 491162040 /nfs/dbraw/zinc/16/20/40/491162040.db2.gz PQUCMNQUEZOZLH-JTQLQIEISA-N 0 3 247.235 3.242 20 0 BGADHN Fc1ccc(CN[C@@H]2CCC(F)(F)C2)c(F)c1 ZINC000310575767 491162042 /nfs/dbraw/zinc/16/20/42/491162042.db2.gz PQUCMNQUEZOZLH-SNVBAGLBSA-N 0 3 247.235 3.242 20 0 BGADHN C[C@@H](N[C@@H]1CCC(F)(F)C1)c1ccc(F)cn1 ZINC000310582036 491162096 /nfs/dbraw/zinc/16/20/96/491162096.db2.gz RMTUNTGWTFAKHN-PSASIEDQSA-N 0 3 244.260 3.059 20 0 BGADHN C[C@@H](N[C@H]1CCC(F)(F)C1)c1ccc(F)cn1 ZINC000310582037 491162098 /nfs/dbraw/zinc/16/20/98/491162098.db2.gz RMTUNTGWTFAKHN-SCZZXKLOSA-N 0 3 244.260 3.059 20 0 BGADHN C[C@H](N[C@@H]1CCC(F)(F)C1)c1ccc(F)cn1 ZINC000310582038 491162105 /nfs/dbraw/zinc/16/21/05/491162105.db2.gz RMTUNTGWTFAKHN-WCBMZHEXSA-N 0 3 244.260 3.059 20 0 BGADHN C[C@H](N[C@H]1CCC(F)(F)C1)c1ccc(F)cn1 ZINC000310582039 491162085 /nfs/dbraw/zinc/16/20/85/491162085.db2.gz RMTUNTGWTFAKHN-WPRPVWTQSA-N 0 3 244.260 3.059 20 0 BGADHN C[C@H](N[C@@H]1CCC(F)(F)C1)c1cncc(F)c1 ZINC000310588968 491162114 /nfs/dbraw/zinc/16/21/14/491162114.db2.gz XVTJJKHHDXRMJY-GZMMTYOYSA-N 0 3 244.260 3.059 20 0 BGADHN C[C@@H](N[C@H]1CCC(F)(F)C1)c1cncc(F)c1 ZINC000310588969 491061356 /nfs/dbraw/zinc/06/13/56/491061356.db2.gz XVTJJKHHDXRMJY-KCJUWKMLSA-N 0 3 244.260 3.059 20 0 BGADHN C[C@H](N[C@H]1CCC(F)(F)C1)c1cncc(F)c1 ZINC000310588970 491162131 /nfs/dbraw/zinc/16/21/31/491162131.db2.gz XVTJJKHHDXRMJY-KWQFWETISA-N 0 3 244.260 3.059 20 0 BGADHN C[C@@H](N[C@@H]1CCC(F)(F)C1)c1cncc(F)c1 ZINC000310588971 491162129 /nfs/dbraw/zinc/16/21/29/491162129.db2.gz XVTJJKHHDXRMJY-LDYMZIIASA-N 0 3 244.260 3.059 20 0 BGADHN Cc1ccc(CN[C@@H]2CCC(F)(F)C2)cc1F ZINC000310591721 541355603 /nfs/dbraw/zinc/35/56/03/541355603.db2.gz ZRLDRRHKXIDCRK-LLVKDONJSA-N 0 3 243.272 3.412 20 0 BGADHN Cc1ccc(CN[C@H]2CCC(F)(F)C2)cc1F ZINC000310591722 541356034 /nfs/dbraw/zinc/35/60/34/541356034.db2.gz ZRLDRRHKXIDCRK-NSHDSACASA-N 0 3 243.272 3.412 20 0 BGADHN Cc1ccncc1CNC/C=C\c1ccccc1 ZINC000310595464 385124575 /nfs/dbraw/zinc/12/45/75/385124575.db2.gz IVIVFGTUUPFVML-YVMONPNESA-N 0 3 238.334 3.193 20 0 BGADHN C=Cn1cc(CNC(C)(C)c2ccccc2)cn1 ZINC000310637653 387539602 /nfs/dbraw/zinc/53/96/02/387539602.db2.gz AJCJFRIGBOSZIV-UHFFFAOYSA-N 0 3 241.338 3.009 20 0 BGADHN COc1ccc([C@H](C)N[C@@H]2CC[C@@H]2C)c(OC)c1 ZINC000310678929 175189178 /nfs/dbraw/zinc/18/91/78/175189178.db2.gz KGAAZWCRTRPAAQ-COPLHBTASA-N 0 3 249.354 3.153 20 0 BGADHN COc1ccc([C@H](C)N[C@H]2CC[C@@H]2C)c(OC)c1 ZINC000310678930 175190243 /nfs/dbraw/zinc/19/02/43/175190243.db2.gz KGAAZWCRTRPAAQ-MJVIPROJSA-N 0 3 249.354 3.153 20 0 BGADHN COc1ccc([C@H](C)N[C@H]2CC[C@H]2C)c(OC)c1 ZINC000310678931 175190256 /nfs/dbraw/zinc/19/02/56/175190256.db2.gz KGAAZWCRTRPAAQ-SUNKGSAMSA-N 0 3 249.354 3.153 20 0 BGADHN COc1ccc([C@H](C)N[C@@H]2CC[C@H]2C)c(OC)c1 ZINC000310678932 175189320 /nfs/dbraw/zinc/18/93/20/175189320.db2.gz KGAAZWCRTRPAAQ-UHIISALHSA-N 0 3 249.354 3.153 20 0 BGADHN CCCC[C@@H](N)C(=O)Nc1ccc(C)c(CC)c1 ZINC000310688967 358445204 /nfs/dbraw/zinc/44/52/04/358445204.db2.gz OVKHHTPOBGYUBL-CQSZACIVSA-N 0 3 248.370 3.013 20 0 BGADHN CC(C)(C)CCNCc1cnc(C(C)(C)C)nc1 ZINC000310721665 387539493 /nfs/dbraw/zinc/53/94/93/387539493.db2.gz RHWAGLAHZGWRLM-UHFFFAOYSA-N 0 3 249.402 3.300 20 0 BGADHN Cn1ccc(CN[C@H]2CCCCC23CCCC3)n1 ZINC000310728185 385154317 /nfs/dbraw/zinc/15/43/17/385154317.db2.gz CRKVIIWUMXFQHY-AWEZNQCLSA-N 0 3 247.386 3.013 20 0 BGADHN Cn1ccc(CN[C@@H]2CCCCC23CCCC3)n1 ZINC000310728186 385153599 /nfs/dbraw/zinc/15/35/99/385153599.db2.gz CRKVIIWUMXFQHY-CQSZACIVSA-N 0 3 247.386 3.013 20 0 BGADHN O=C(CCN1CC2CCC1CC2)c1ccccc1 ZINC000310731744 385155424 /nfs/dbraw/zinc/15/54/24/385155424.db2.gz DZUTWZZUHLDGPK-UHFFFAOYSA-N 0 3 243.350 3.134 20 0 BGADHN CC(C)(C)c1ncc(CNCCCC2CC2)cn1 ZINC000310736773 343565152 /nfs/dbraw/zinc/56/51/52/343565152.db2.gz ZJDYZDKWXTVZII-UHFFFAOYSA-N 0 3 247.386 3.054 20 0 BGADHN CC[C@H](NCc1c[nH]nc1C)c1cccc(C)c1 ZINC000310764308 385162834 /nfs/dbraw/zinc/16/28/34/385162834.db2.gz LBDOFWAWTAEZKX-HNNXBMFYSA-N 0 3 243.354 3.267 20 0 BGADHN CC[C@@H](NCc1c[nH]nc1C)c1cccc(C)c1 ZINC000310764309 347303825 /nfs/dbraw/zinc/30/38/25/347303825.db2.gz LBDOFWAWTAEZKX-OAHLLOKOSA-N 0 3 243.354 3.267 20 0 BGADHN FCCNCC(c1ccccc1)c1ccccc1 ZINC000310811489 411287608 /nfs/dbraw/zinc/28/76/08/411287608.db2.gz BHHWAKBMFMFYQV-UHFFFAOYSA-N 0 3 243.325 3.378 20 0 BGADHN Cc1ncccc1CN[C@@H](C)c1ccc(F)cc1 ZINC000310819491 343583128 /nfs/dbraw/zinc/58/31/28/343583128.db2.gz HYZZTJPLTXEPQU-NSHDSACASA-N 0 3 244.313 3.380 20 0 BGADHN COCC(C)(C)CNc1ccnc2ccccc21 ZINC000310827745 174075660 /nfs/dbraw/zinc/07/56/60/174075660.db2.gz JKIBQWIEBBOWID-UHFFFAOYSA-N 0 3 244.338 3.319 20 0 BGADHN CC1(C)CC[C@@H]1NCc1ccn(C2CCCC2)n1 ZINC000310837398 347311563 /nfs/dbraw/zinc/31/15/63/347311563.db2.gz AJFRVIJLWWDFGE-AWEZNQCLSA-N 0 3 247.386 3.276 20 0 BGADHN CC1(C)CC[C@H]1NCc1ccn(C2CCCC2)n1 ZINC000310837399 385188130 /nfs/dbraw/zinc/18/81/30/385188130.db2.gz AJFRVIJLWWDFGE-CQSZACIVSA-N 0 3 247.386 3.276 20 0 BGADHN CC(C)(C)C(C)(C)NCc1cn2ccccc2n1 ZINC000310851049 527620522 /nfs/dbraw/zinc/62/05/22/527620522.db2.gz PQBRIFYUYNGINY-UHFFFAOYSA-N 0 3 245.370 3.249 20 0 BGADHN CC[C@@H]1CC[C@H](C)[N@@H+](Cc2nc(C)ccc2[O-])C1 ZINC000310854139 388489997 /nfs/dbraw/zinc/48/99/97/388489997.db2.gz MPTPFBCCOADFMX-QWHCGFSZSA-N 0 3 248.370 3.106 20 0 BGADHN CC[C@@H]1CC[C@H](C)[N@H+](Cc2nc(C)ccc2[O-])C1 ZINC000310854139 388489994 /nfs/dbraw/zinc/48/99/94/388489994.db2.gz MPTPFBCCOADFMX-QWHCGFSZSA-N 0 3 248.370 3.106 20 0 BGADHN C[C@H]1C[C@@H](NCCOCC2CC2)c2ccccc21 ZINC000310856749 347312351 /nfs/dbraw/zinc/31/23/51/347312351.db2.gz PKPCRRIVGOUWIP-BLLLJJGKSA-N 0 3 245.366 3.251 20 0 BGADHN C[C@H]1C[C@H](NCCOCC2CC2)c2ccccc21 ZINC000310856751 347312745 /nfs/dbraw/zinc/31/27/45/347312745.db2.gz PKPCRRIVGOUWIP-LRDDRELGSA-N 0 3 245.366 3.251 20 0 BGADHN C[C@@H]1C[C@@H](NCCOCC2CC2)c2ccccc21 ZINC000310856753 347312487 /nfs/dbraw/zinc/31/24/87/347312487.db2.gz PKPCRRIVGOUWIP-MLGOLLRUSA-N 0 3 245.366 3.251 20 0 BGADHN C[C@@H]1C[C@H](NCCOCC2CC2)c2ccccc21 ZINC000310856755 347312340 /nfs/dbraw/zinc/31/23/40/347312340.db2.gz PKPCRRIVGOUWIP-WBMJQRKESA-N 0 3 245.366 3.251 20 0 BGADHN CC(C)Oc1ncccc1CNCC1(C)CCC1 ZINC000310883066 538111822 /nfs/dbraw/zinc/11/18/22/538111822.db2.gz WYDKVRBSYDBZJW-UHFFFAOYSA-N 0 3 248.370 3.149 20 0 BGADHN Cc1ncccc1CN[C@H](C)c1cccc(F)c1 ZINC000310911863 537793049 /nfs/dbraw/zinc/79/30/49/537793049.db2.gz FHOXSNVMGGSHMP-LLVKDONJSA-N 0 3 244.313 3.380 20 0 BGADHN Cc1ncccc1CN[C@@H](C)c1cccc(F)c1 ZINC000310911865 411044755 /nfs/dbraw/zinc/04/47/55/411044755.db2.gz FHOXSNVMGGSHMP-NSHDSACASA-N 0 3 244.313 3.380 20 0 BGADHN C[C@H](N[C@@H]1CC[C@H]1C)c1nc2ccccc2n1C ZINC000310918649 134600615 /nfs/dbraw/zinc/60/06/15/134600615.db2.gz JGOJIXYOPYTEAX-GRYCIOLGSA-N 0 3 243.354 3.022 20 0 BGADHN C[C@H](N[C@@H]1CC[C@@H]1C)c1nc2ccccc2n1C ZINC000310918651 397885637 /nfs/dbraw/zinc/88/56/37/397885637.db2.gz JGOJIXYOPYTEAX-SDDRHHMPSA-N 0 3 243.354 3.022 20 0 BGADHN C[C@H](N[C@H]1CC[C@@H]1C)c1nc2ccccc2n1C ZINC000310918653 134600743 /nfs/dbraw/zinc/60/07/43/134600743.db2.gz JGOJIXYOPYTEAX-SRVKXCTJSA-N 0 3 243.354 3.022 20 0 BGADHN C[C@H](N[C@H]1CC[C@H]1C)c1nc2ccccc2n1C ZINC000310918655 397885558 /nfs/dbraw/zinc/88/55/58/397885558.db2.gz JGOJIXYOPYTEAX-WOPDTQHZSA-N 0 3 243.354 3.022 20 0 BGADHN CC(C)Oc1ncccc1CN[C@@H]1CCC1(C)C ZINC000310951252 487605825 /nfs/dbraw/zinc/60/58/25/487605825.db2.gz REAHRHMWTFHVRK-CYBMUJFWSA-N 0 3 248.370 3.147 20 0 BGADHN CC(C)Oc1ncccc1CN[C@H]1CCC1(C)C ZINC000310951254 487605841 /nfs/dbraw/zinc/60/58/41/487605841.db2.gz REAHRHMWTFHVRK-ZDUSSCGKSA-N 0 3 248.370 3.147 20 0 BGADHN COc1ccncc1CNCCC1CCCCC1 ZINC000310959268 175371255 /nfs/dbraw/zinc/37/12/55/175371255.db2.gz BLECPOFVRAXNJI-UHFFFAOYSA-N 0 3 248.370 3.150 20 0 BGADHN COc1ccncc1CN[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000311008685 175372074 /nfs/dbraw/zinc/37/20/74/175372074.db2.gz LGYQAMBRVUKOOD-IMRBUKKESA-N 0 3 248.370 3.005 20 0 BGADHN COc1ccncc1CNC1C[C@@H](C)C[C@H](C)C1 ZINC000311008689 175371889 /nfs/dbraw/zinc/37/18/89/175371889.db2.gz LGYQAMBRVUKOOD-RYUDHWBXSA-N 0 3 248.370 3.005 20 0 BGADHN COc1ccncc1CNC1C[C@H](C)C[C@@H](C)C1 ZINC000311008694 175372254 /nfs/dbraw/zinc/37/22/54/175372254.db2.gz LGYQAMBRVUKOOD-VXGBXAGGSA-N 0 3 248.370 3.005 20 0 BGADHN Cc1ccoc1CNc1nc2ccc(F)cc2[nH]1 ZINC000311084993 385304426 /nfs/dbraw/zinc/30/44/26/385304426.db2.gz GUWMGIZNWDRSGB-UHFFFAOYSA-N 0 3 245.257 3.216 20 0 BGADHN c1cnc(CN[C@@H]2CCCCC23CCCC3)nc1 ZINC000311096466 385308416 /nfs/dbraw/zinc/30/84/16/385308416.db2.gz JHBHUAXZUQKWPD-CYBMUJFWSA-N 0 3 245.370 3.069 20 0 BGADHN c1cnc(CN[C@H]2CCCCC23CCCC3)nc1 ZINC000311096467 385308604 /nfs/dbraw/zinc/30/86/04/385308604.db2.gz JHBHUAXZUQKWPD-ZDUSSCGKSA-N 0 3 245.370 3.069 20 0 BGADHN Cn1cnc(CN[C@H]2CCCC[C@@H]2C(C)(C)C)c1 ZINC000311099597 538112783 /nfs/dbraw/zinc/11/27/83/538112783.db2.gz JUNAVAULZFSADI-KBPBESRZSA-N 0 3 249.402 3.115 20 0 BGADHN Cn1cnc(CN[C@H]2CCCC[C@H]2C(C)(C)C)c1 ZINC000311099598 538112760 /nfs/dbraw/zinc/11/27/60/538112760.db2.gz JUNAVAULZFSADI-KGLIPLIRSA-N 0 3 249.402 3.115 20 0 BGADHN Cn1cnc(CN[C@@H]2CCCC[C@@H]2C(C)(C)C)c1 ZINC000311099599 538112769 /nfs/dbraw/zinc/11/27/69/538112769.db2.gz JUNAVAULZFSADI-UONOGXRCSA-N 0 3 249.402 3.115 20 0 BGADHN Cn1cnc(CN[C@@H]2CCCC[C@H]2C(C)(C)C)c1 ZINC000311099600 538112757 /nfs/dbraw/zinc/11/27/57/538112757.db2.gz JUNAVAULZFSADI-ZIAGYGMSSA-N 0 3 249.402 3.115 20 0 BGADHN Cn1cnc(CNC2CC(C)(C)CC(C)(C)C2)c1 ZINC000311103077 538112602 /nfs/dbraw/zinc/11/26/02/538112602.db2.gz KSGFFAAOMWWWBC-UHFFFAOYSA-N 0 3 249.402 3.115 20 0 BGADHN Cc1ccoc1CNC[C@H]1CCC2(CCCC2)O1 ZINC000311106051 411314771 /nfs/dbraw/zinc/31/47/71/411314771.db2.gz LIGJIKPCKBFGOO-CYBMUJFWSA-N 0 3 249.354 3.169 20 0 BGADHN Cc1ccoc1CNC[C@@H]1CCC2(CCCC2)O1 ZINC000311106052 411315102 /nfs/dbraw/zinc/31/51/02/411315102.db2.gz LIGJIKPCKBFGOO-ZDUSSCGKSA-N 0 3 249.354 3.169 20 0 BGADHN Cc1ccoc1CN[C@H](C)Cc1ccccc1F ZINC000311118652 385327718 /nfs/dbraw/zinc/32/77/18/385327718.db2.gz OEHPILRUBCIMNO-GFCCVEGCSA-N 0 3 247.313 3.448 20 0 BGADHN Cc1ccoc1CN[C@@H](C)Cc1ccccc1F ZINC000311118654 385325850 /nfs/dbraw/zinc/32/58/50/385325850.db2.gz OEHPILRUBCIMNO-LBPRGKRZSA-N 0 3 247.313 3.448 20 0 BGADHN Cc1ncccc1CNC(C)(C)c1ccccc1 ZINC000311122990 180220108 /nfs/dbraw/zinc/22/01/08/180220108.db2.gz YCXBNLIDOLJHGL-UHFFFAOYSA-N 0 3 240.350 3.415 20 0 BGADHN CC(C)n1ccc(CN[C@H]2CC3CCC2CC3)n1 ZINC000311129155 385333582 /nfs/dbraw/zinc/33/35/82/385333582.db2.gz BTBXSPDISAPEQS-PIMMBPRGSA-N 0 3 247.386 3.132 20 0 BGADHN CC(C)n1ccc(CN[C@@H]2CC3CCC2CC3)n1 ZINC000311129156 385334799 /nfs/dbraw/zinc/33/47/99/385334799.db2.gz BTBXSPDISAPEQS-SSDMNJCBSA-N 0 3 247.386 3.132 20 0 BGADHN COc1ccc(F)cc1CNCC1(C2CC2)CC1 ZINC000311161800 175130489 /nfs/dbraw/zinc/13/04/89/175130489.db2.gz YRWJXFOVCOMZGO-UHFFFAOYSA-N 0 3 249.329 3.114 20 0 BGADHN COc1ccncc1CNC[C@@H]1CCC[C@@H](C)C1 ZINC000311217910 136275880 /nfs/dbraw/zinc/27/58/80/136275880.db2.gz SRAQOXPDPCIVJL-CHWSQXEVSA-N 0 3 248.370 3.006 20 0 BGADHN COc1ccncc1CNC[C@H]1CCC[C@@H](C)C1 ZINC000311217911 136275904 /nfs/dbraw/zinc/27/59/04/136275904.db2.gz SRAQOXPDPCIVJL-OLZOCXBDSA-N 0 3 248.370 3.006 20 0 BGADHN COc1ccncc1CNC[C@@H]1CCC[C@H](C)C1 ZINC000311217912 136275774 /nfs/dbraw/zinc/27/57/74/136275774.db2.gz SRAQOXPDPCIVJL-QWHCGFSZSA-N 0 3 248.370 3.006 20 0 BGADHN COc1ccncc1CNC[C@H]1CCC[C@H](C)C1 ZINC000311217913 136275921 /nfs/dbraw/zinc/27/59/21/136275921.db2.gz SRAQOXPDPCIVJL-STQMWFEESA-N 0 3 248.370 3.006 20 0 BGADHN COc1ccncc1CN[C@@H]1CCCC(C)(C)C1 ZINC000311222845 537119640 /nfs/dbraw/zinc/11/96/40/537119640.db2.gz VOKFYDKHESAPSE-CYBMUJFWSA-N 0 3 248.370 3.149 20 0 BGADHN COc1ccncc1CN[C@H]1CCCC(C)(C)C1 ZINC000311222846 537119986 /nfs/dbraw/zinc/11/99/86/537119986.db2.gz VOKFYDKHESAPSE-ZDUSSCGKSA-N 0 3 248.370 3.149 20 0 BGADHN CC[C@H](CNc1cc(C)nc2ccccc21)OC ZINC000311224139 136275936 /nfs/dbraw/zinc/27/59/36/136275936.db2.gz QJPNVZDGOIXPPU-GFCCVEGCSA-N 0 3 244.338 3.380 20 0 BGADHN CC[C@@H](CNc1cc(C)nc2ccccc21)OC ZINC000311224140 136275677 /nfs/dbraw/zinc/27/56/77/136275677.db2.gz QJPNVZDGOIXPPU-LBPRGKRZSA-N 0 3 244.338 3.380 20 0 BGADHN Cc1ccc([O-])c(C[N@H+]2CCCC23CCCC3)n1 ZINC000311236911 136275878 /nfs/dbraw/zinc/27/58/78/136275878.db2.gz WUDQGPHKLNJBJY-UHFFFAOYSA-N 0 3 246.354 3.004 20 0 BGADHN Cc1ccc([O-])c(C[N@@H+]2CCCC23CCCC3)n1 ZINC000311236911 136275877 /nfs/dbraw/zinc/27/58/77/136275877.db2.gz WUDQGPHKLNJBJY-UHFFFAOYSA-N 0 3 246.354 3.004 20 0 BGADHN Cc1nc(C)c(CN[C@@H]2CC[C@@H](C)C[C@@H]2C)o1 ZINC000311657344 538114645 /nfs/dbraw/zinc/11/46/45/538114645.db2.gz FEIYFBRNXATIFC-GBIKHYSHSA-N 0 3 236.359 3.206 20 0 BGADHN Cc1nc(C)c(CN[C@@H]2CC[C@@H](C)C[C@H]2C)o1 ZINC000311657346 538114654 /nfs/dbraw/zinc/11/46/54/538114654.db2.gz FEIYFBRNXATIFC-GIPNMCIBSA-N 0 3 236.359 3.206 20 0 BGADHN Cc1nc(C)c(CN[C@@H]2CC[C@H](C)C[C@H]2C)o1 ZINC000311657348 538114692 /nfs/dbraw/zinc/11/46/92/538114692.db2.gz FEIYFBRNXATIFC-OPQQBVKSSA-N 0 3 236.359 3.206 20 0 BGADHN Cc1nc(C)c(CN[C@@H]2CC[C@H](C)C[C@@H]2C)o1 ZINC000311657349 538114640 /nfs/dbraw/zinc/11/46/40/538114640.db2.gz FEIYFBRNXATIFC-OUJBWJOFSA-N 0 3 236.359 3.206 20 0 BGADHN Cc1nc(C)c(CN[C@H]2C[C@H](C)C[C@H](C)C2)o1 ZINC000311685749 346172423 /nfs/dbraw/zinc/17/24/23/346172423.db2.gz NGFHKQWATPGODG-IWIIMEHWSA-N 0 3 236.359 3.206 20 0 BGADHN Cc1nc(C)c(CNC2C[C@H](C)C[C@@H](C)C2)o1 ZINC000311685751 346171155 /nfs/dbraw/zinc/17/11/55/346171155.db2.gz NGFHKQWATPGODG-NXEZZACHSA-N 0 3 236.359 3.206 20 0 BGADHN Cc1nc(C)c(CNC2C[C@@H](C)C[C@H](C)C2)o1 ZINC000311685753 346171146 /nfs/dbraw/zinc/17/11/46/346171146.db2.gz NGFHKQWATPGODG-UWVGGRQHSA-N 0 3 236.359 3.206 20 0 BGADHN CCc1nc(C)c(CNC[C@H](C)CC(C)C)o1 ZINC000311693778 349971700 /nfs/dbraw/zinc/97/17/00/349971700.db2.gz PVAJRNDWVRURBM-LLVKDONJSA-N 0 3 238.375 3.317 20 0 BGADHN CCc1nc(C)c(CNC[C@@H](C)CC(C)C)o1 ZINC000311693780 349971661 /nfs/dbraw/zinc/97/16/61/349971661.db2.gz PVAJRNDWVRURBM-NSHDSACASA-N 0 3 238.375 3.317 20 0 BGADHN Cc1nc(C)c(CNCC(C(C)C)C(C)C)o1 ZINC000311717140 385604591 /nfs/dbraw/zinc/60/45/91/385604591.db2.gz XFKBGJFUDLDSQY-UHFFFAOYSA-N 0 3 238.375 3.309 20 0 BGADHN CCc1nc(C)c(CNCC2CCCCC2)o1 ZINC000311734067 349993023 /nfs/dbraw/zinc/99/30/23/349993023.db2.gz DVZPIUZNNYRGSP-UHFFFAOYSA-N 0 3 236.359 3.215 20 0 BGADHN Cc1nc(C)c(CNCCCc2ccccc2)o1 ZINC000311745971 411512865 /nfs/dbraw/zinc/51/28/65/411512865.db2.gz CACKTYOXKSZSHQ-UHFFFAOYSA-N 0 3 244.338 3.014 20 0 BGADHN Cc1nc(C)c(CNCCCC(C)(C)C)o1 ZINC000311752662 349999373 /nfs/dbraw/zinc/99/93/73/349999373.db2.gz JEFZJRBJQCJUIW-UHFFFAOYSA-N 0 3 224.348 3.207 20 0 BGADHN Cc1nc(C)c(CN[C@@H]2CCCCC2(C)C)o1 ZINC000311758548 491090113 /nfs/dbraw/zinc/09/01/13/491090113.db2.gz KKNYFZLIFBFRGR-CYBMUJFWSA-N 0 3 236.359 3.350 20 0 BGADHN Cc1nc(C)c(CN[C@H]2CCCCC2(C)C)o1 ZINC000311758550 541362415 /nfs/dbraw/zinc/36/24/15/541362415.db2.gz KKNYFZLIFBFRGR-ZDUSSCGKSA-N 0 3 236.359 3.350 20 0 BGADHN Cc1nc(C)c(CN[C@@H]2CCC[C@H](C3CC3)C2)o1 ZINC000311769335 385664000 /nfs/dbraw/zinc/66/40/00/385664000.db2.gz MMWYCSUHJWSKTA-UONOGXRCSA-N 0 3 248.370 3.350 20 0 BGADHN Cc1nc(C)c(CN[C@@H](C)CCC(C)C)o1 ZINC000311770983 350005906 /nfs/dbraw/zinc/00/59/06/350005906.db2.gz MUEKPUOTMFRZGN-JTQLQIEISA-N 0 3 224.348 3.206 20 0 BGADHN Cc1nc(C)c(CN[C@H](C)CCC(C)C)o1 ZINC000311770984 346183289 /nfs/dbraw/zinc/18/32/89/346183289.db2.gz MUEKPUOTMFRZGN-SNVBAGLBSA-N 0 3 224.348 3.206 20 0 BGADHN CCc1nc(C)c(CNC[C@H](C)C(C)(C)C)o1 ZINC000311787249 411534252 /nfs/dbraw/zinc/53/42/52/411534252.db2.gz QBNIEBMXCCATAR-JTQLQIEISA-N 0 3 238.375 3.317 20 0 BGADHN CCc1nc(C)c(CNC[C@@H](C)C(C)(C)C)o1 ZINC000311787254 411534421 /nfs/dbraw/zinc/53/44/21/411534421.db2.gz QBNIEBMXCCATAR-SNVBAGLBSA-N 0 3 238.375 3.317 20 0 BGADHN CCc1nc(C)c(CN[C@@H](C)CC2CCC2)o1 ZINC000311792632 411539641 /nfs/dbraw/zinc/53/96/41/411539641.db2.gz RJWCAESYMJOKMW-JTQLQIEISA-N 0 3 236.359 3.214 20 0 BGADHN CCc1nc(C)c(CN[C@H](C)CC2CCC2)o1 ZINC000311792634 411539115 /nfs/dbraw/zinc/53/91/15/411539115.db2.gz RJWCAESYMJOKMW-SNVBAGLBSA-N 0 3 236.359 3.214 20 0 BGADHN CCc1nc(C)c(CN[C@@H]2CCC[C@H](C)C2)o1 ZINC000311822473 350037522 /nfs/dbraw/zinc/03/75/22/350037522.db2.gz ZGMCJWHLPYELOC-CMPLNLGQSA-N 0 3 236.359 3.214 20 0 BGADHN CCc1nc(C)c(CN[C@H]2CCC[C@H](C)C2)o1 ZINC000311822474 350037478 /nfs/dbraw/zinc/03/74/78/350037478.db2.gz ZGMCJWHLPYELOC-JQWIXIFHSA-N 0 3 236.359 3.214 20 0 BGADHN CCc1nc(C)c(CN[C@H]2CCC[C@@H](C)C2)o1 ZINC000311822475 350037267 /nfs/dbraw/zinc/03/72/67/350037267.db2.gz ZGMCJWHLPYELOC-PWSUYJOCSA-N 0 3 236.359 3.214 20 0 BGADHN CCc1nc(C)c(CN[C@@H]2CCC[C@@H](C)C2)o1 ZINC000311822476 350037214 /nfs/dbraw/zinc/03/72/14/350037214.db2.gz ZGMCJWHLPYELOC-ZYHUDNBSSA-N 0 3 236.359 3.214 20 0 BGADHN CCc1nc(C)c(CNC2CCCCCC2)o1 ZINC000311825186 350032903 /nfs/dbraw/zinc/03/29/03/350032903.db2.gz KIAKERSSZLCUGU-UHFFFAOYSA-N 0 3 236.359 3.358 20 0 BGADHN CCc1nc(C)c(CN[C@@H]2CCCC2(C)C)o1 ZINC000311828027 350035177 /nfs/dbraw/zinc/03/51/77/350035177.db2.gz KWROXBIMMYQWDL-GFCCVEGCSA-N 0 3 236.359 3.214 20 0 BGADHN CCc1nc(C)c(CN[C@H]2CCCC2(C)C)o1 ZINC000311828028 350035101 /nfs/dbraw/zinc/03/51/01/350035101.db2.gz KWROXBIMMYQWDL-LBPRGKRZSA-N 0 3 236.359 3.214 20 0 BGADHN Cc1nc(C)c(CNCC2CCCCCC2)o1 ZINC000311833323 385835780 /nfs/dbraw/zinc/83/57/80/385835780.db2.gz LZZSDKPWIJTQQG-UHFFFAOYSA-N 0 3 236.359 3.351 20 0 BGADHN COc1cc(F)cc(CN[C@H]2CC23CCCC3)c1 ZINC000312401122 387277841 /nfs/dbraw/zinc/27/78/41/387277841.db2.gz VHYSOVUDHGSZAI-AWEZNQCLSA-N 0 3 249.329 3.257 20 0 BGADHN COc1cc(F)cc(CN[C@@H]2CC23CCCC3)c1 ZINC000312401123 387276711 /nfs/dbraw/zinc/27/67/11/387276711.db2.gz VHYSOVUDHGSZAI-CQSZACIVSA-N 0 3 249.329 3.257 20 0 BGADHN CC1(C)OCC[C@H]1NCc1ccsc1Cl ZINC000312555557 385269786 /nfs/dbraw/zinc/26/97/86/385269786.db2.gz HEFIPEQWHPJMEX-SECBINFHSA-N 0 3 245.775 3.059 20 0 BGADHN CC1(C)OCC[C@@H]1NCc1ccsc1Cl ZINC000312555558 187392574 /nfs/dbraw/zinc/39/25/74/187392574.db2.gz HEFIPEQWHPJMEX-VIFPVBQESA-N 0 3 245.775 3.059 20 0 BGADHN CCC1(NCc2ccsc2Cl)CC1 ZINC000312563158 322900624 /nfs/dbraw/zinc/90/06/24/322900624.db2.gz RNEGPCPZVLXFSL-UHFFFAOYSA-N 0 3 215.749 3.434 20 0 BGADHN CC[C@](C)(CNCc1ccsc1Cl)OC ZINC000312581532 383961651 /nfs/dbraw/zinc/96/16/51/383961651.db2.gz LLHZQUPRUGJVHD-LLVKDONJSA-N 0 3 247.791 3.306 20 0 BGADHN CC[C@@](C)(CNCc1ccsc1Cl)OC ZINC000312581534 383961439 /nfs/dbraw/zinc/96/14/39/383961439.db2.gz LLHZQUPRUGJVHD-NSHDSACASA-N 0 3 247.791 3.306 20 0 BGADHN CC(C)(O)C(C)(C)NCc1ccsc1Cl ZINC000312582925 487624899 /nfs/dbraw/zinc/62/48/99/487624899.db2.gz NRWFEJFKCYFKAQ-UHFFFAOYSA-N 0 3 247.791 3.041 20 0 BGADHN C[C@H](CC(C)(C)O)NCc1ccsc1Cl ZINC000312606348 259317000 /nfs/dbraw/zinc/31/70/00/259317000.db2.gz RKXYRICSBAMGTF-MRVPVSSYSA-N 0 3 247.791 3.041 20 0 BGADHN C[C@@H](CC(C)(C)O)NCc1ccsc1Cl ZINC000312606349 259316734 /nfs/dbraw/zinc/31/67/34/259316734.db2.gz RKXYRICSBAMGTF-QMMMGPOBSA-N 0 3 247.791 3.041 20 0 BGADHN CCC[C@@H](CNCc1ccsc1Cl)OC ZINC000312684231 259324219 /nfs/dbraw/zinc/32/42/19/259324219.db2.gz NDXOUGIUZNOYMZ-JTQLQIEISA-N 0 3 247.791 3.306 20 0 BGADHN CCC[C@H](CNCc1ccsc1Cl)OC ZINC000312684241 259324240 /nfs/dbraw/zinc/32/42/40/259324240.db2.gz NDXOUGIUZNOYMZ-SNVBAGLBSA-N 0 3 247.791 3.306 20 0 BGADHN C[C@@H]1CC[C@H](CNCc2ccsc2Cl)O1 ZINC000312755445 384468803 /nfs/dbraw/zinc/46/88/03/384468803.db2.gz BVKKSLKISURZNO-PSASIEDQSA-N 0 3 245.775 3.059 20 0 BGADHN C[C@@H]1CC[C@@H](CNCc2ccsc2Cl)O1 ZINC000312755454 384467664 /nfs/dbraw/zinc/46/76/64/384467664.db2.gz BVKKSLKISURZNO-SCZZXKLOSA-N 0 3 245.775 3.059 20 0 BGADHN C[C@H]1CC[C@H](CNCc2ccsc2Cl)O1 ZINC000312755461 384468468 /nfs/dbraw/zinc/46/84/68/384468468.db2.gz BVKKSLKISURZNO-WCBMZHEXSA-N 0 3 245.775 3.059 20 0 BGADHN C[C@H]1CC[C@@H](CNCc2ccsc2Cl)O1 ZINC000312755468 384467259 /nfs/dbraw/zinc/46/72/59/384467259.db2.gz BVKKSLKISURZNO-WPRPVWTQSA-N 0 3 245.775 3.059 20 0 BGADHN COC(C)(C)[C@@H](C)NCc1ccsc1Cl ZINC000312784616 641509582 /nfs/dbraw/zinc/50/95/82/641509582.db2.gz SNJNIOPCFGBCDH-MRVPVSSYSA-N 0 3 247.791 3.305 20 0 BGADHN COC(C)(C)[C@H](C)NCc1ccsc1Cl ZINC000312784619 641509938 /nfs/dbraw/zinc/50/99/38/641509938.db2.gz SNJNIOPCFGBCDH-QMMMGPOBSA-N 0 3 247.791 3.305 20 0 BGADHN c1nc(CN[C@@H]2CCCC23CCCCC3)co1 ZINC000312986505 410433559 /nfs/dbraw/zinc/43/35/59/410433559.db2.gz FZVJLQYSCBNQQV-CYBMUJFWSA-N 0 3 234.343 3.267 20 0 BGADHN c1nc(CN[C@H]2CCCC23CCCCC3)co1 ZINC000312986511 410433674 /nfs/dbraw/zinc/43/36/74/410433674.db2.gz FZVJLQYSCBNQQV-ZDUSSCGKSA-N 0 3 234.343 3.267 20 0 BGADHN Cn1ccc(CN[C@H]2CCCC23CCCCC3)n1 ZINC000312997259 385072333 /nfs/dbraw/zinc/07/23/33/385072333.db2.gz TXFWDZLFRWXGMK-AWEZNQCLSA-N 0 3 247.386 3.013 20 0 BGADHN Cn1ccc(CN[C@@H]2CCCC23CCCCC3)n1 ZINC000312997261 256532610 /nfs/dbraw/zinc/53/26/10/256532610.db2.gz TXFWDZLFRWXGMK-CQSZACIVSA-N 0 3 247.386 3.013 20 0 BGADHN Cn1cnc(CN[C@H]2CCCC23CCCCC3)c1 ZINC000312999037 410454629 /nfs/dbraw/zinc/45/46/29/410454629.db2.gz AXPORPXVHIVKHY-AWEZNQCLSA-N 0 3 247.386 3.013 20 0 BGADHN Cn1cnc(CN[C@@H]2CCCC23CCCCC3)c1 ZINC000312999043 410454547 /nfs/dbraw/zinc/45/45/47/410454547.db2.gz AXPORPXVHIVKHY-CQSZACIVSA-N 0 3 247.386 3.013 20 0 BGADHN c1cc(CN[C@@H]2CCCC23CCCCC3)n[nH]1 ZINC000313001133 410455820 /nfs/dbraw/zinc/45/58/20/410455820.db2.gz IKSKHNCCDCHDCP-CYBMUJFWSA-N 0 3 233.359 3.002 20 0 BGADHN c1cc(CN[C@H]2CCCC23CCCCC3)n[nH]1 ZINC000313001135 410454805 /nfs/dbraw/zinc/45/48/05/410454805.db2.gz IKSKHNCCDCHDCP-ZDUSSCGKSA-N 0 3 233.359 3.002 20 0 BGADHN Cn1ccnc1CN[C@@H]1CCCC12CCCCC2 ZINC000313004428 385103763 /nfs/dbraw/zinc/10/37/63/385103763.db2.gz BERBVWUPGBLISO-CYBMUJFWSA-N 0 3 247.386 3.013 20 0 BGADHN Cn1ccnc1CN[C@H]1CCCC12CCCCC2 ZINC000313004429 385102907 /nfs/dbraw/zinc/10/29/07/385102907.db2.gz BERBVWUPGBLISO-ZDUSSCGKSA-N 0 3 247.386 3.013 20 0 BGADHN c1cc(CN[C@@H]2CCCC23CCCCC3)on1 ZINC000313004519 183351970 /nfs/dbraw/zinc/35/19/70/183351970.db2.gz BIHXVUCIVJRWDN-CYBMUJFWSA-N 0 3 234.343 3.267 20 0 BGADHN c1cc(CN[C@H]2CCCC23CCCCC3)on1 ZINC000313004524 183354031 /nfs/dbraw/zinc/35/40/31/183354031.db2.gz BIHXVUCIVJRWDN-ZDUSSCGKSA-N 0 3 234.343 3.267 20 0 BGADHN c1c[nH]c(CN[C@@H]2CCCC23CCCCC3)n1 ZINC000313009278 491132937 /nfs/dbraw/zinc/13/29/37/491132937.db2.gz OECCMYCDOZLWFC-GFCCVEGCSA-N 0 3 233.359 3.002 20 0 BGADHN c1c[nH]c(CN[C@H]2CCCC23CCCCC3)n1 ZINC000313009285 491132930 /nfs/dbraw/zinc/13/29/30/491132930.db2.gz OECCMYCDOZLWFC-LBPRGKRZSA-N 0 3 233.359 3.002 20 0 BGADHN CC1(C)COC[C@@H]1NCc1ccccc1C1CC1 ZINC000313023050 410587843 /nfs/dbraw/zinc/58/78/43/410587843.db2.gz LSLFQTQTHHNJEG-HNNXBMFYSA-N 0 3 245.366 3.079 20 0 BGADHN CC1(C)COC[C@H]1NCc1ccccc1C1CC1 ZINC000313023052 410587983 /nfs/dbraw/zinc/58/79/83/410587983.db2.gz LSLFQTQTHHNJEG-OAHLLOKOSA-N 0 3 245.366 3.079 20 0 BGADHN CC(C)c1ccc(CN[C@H]2COCC2(C)C)cc1 ZINC000313023073 256534373 /nfs/dbraw/zinc/53/43/73/256534373.db2.gz CGQGBXFRJQQIEG-HNNXBMFYSA-N 0 3 247.382 3.325 20 0 BGADHN CC(C)c1ccc(CN[C@@H]2COCC2(C)C)cc1 ZINC000313023076 385188260 /nfs/dbraw/zinc/18/82/60/385188260.db2.gz CGQGBXFRJQQIEG-OAHLLOKOSA-N 0 3 247.382 3.325 20 0 BGADHN c1cc(CN[C@@H]2CCCC23CCCCC3)no1 ZINC000313023851 410587998 /nfs/dbraw/zinc/58/79/98/410587998.db2.gz CWNUODNXJSOTEQ-CYBMUJFWSA-N 0 3 234.343 3.267 20 0 BGADHN c1cc(CN[C@H]2CCCC23CCCCC3)no1 ZINC000313023853 410588101 /nfs/dbraw/zinc/58/81/01/410588101.db2.gz CWNUODNXJSOTEQ-ZDUSSCGKSA-N 0 3 234.343 3.267 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2COCC2(C)C)cs1 ZINC000313025460 178255140 /nfs/dbraw/zinc/25/51/40/178255140.db2.gz HHURPGVTSJTDMG-CMPLNLGQSA-N 0 3 239.384 3.132 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2COCC2(C)C)cs1 ZINC000313025463 178259418 /nfs/dbraw/zinc/25/94/18/178259418.db2.gz HHURPGVTSJTDMG-JQWIXIFHSA-N 0 3 239.384 3.132 20 0 BGADHN Cc1cc([C@@H](C)N[C@H]2COCC2(C)C)cs1 ZINC000313025465 178232885 /nfs/dbraw/zinc/23/28/85/178232885.db2.gz HHURPGVTSJTDMG-PWSUYJOCSA-N 0 3 239.384 3.132 20 0 BGADHN Cc1cc([C@@H](C)N[C@@H]2COCC2(C)C)cs1 ZINC000313025468 178231308 /nfs/dbraw/zinc/23/13/08/178231308.db2.gz HHURPGVTSJTDMG-ZYHUDNBSSA-N 0 3 239.384 3.132 20 0 BGADHN CC1(C)COC[C@@H]1NCc1cccc(C2CC2)c1 ZINC000313030280 385218141 /nfs/dbraw/zinc/21/81/41/385218141.db2.gz QZFVTABVDZKODY-HNNXBMFYSA-N 0 3 245.366 3.079 20 0 BGADHN CC1(C)COC[C@H]1NCc1cccc(C2CC2)c1 ZINC000313030282 385217648 /nfs/dbraw/zinc/21/76/48/385217648.db2.gz QZFVTABVDZKODY-OAHLLOKOSA-N 0 3 245.366 3.079 20 0 BGADHN CC[C@@H](N[C@H]1COCC1(C)C)c1ccsc1 ZINC000313032892 256534355 /nfs/dbraw/zinc/53/43/55/256534355.db2.gz JVOUVMLBIWCYGP-NEPJUHHUSA-N 0 3 239.384 3.214 20 0 BGADHN CC[C@H](N[C@@H]1COCC1(C)C)c1ccsc1 ZINC000313032894 385225216 /nfs/dbraw/zinc/22/52/16/385225216.db2.gz JVOUVMLBIWCYGP-NWDGAFQWSA-N 0 3 239.384 3.214 20 0 BGADHN CC[C@H](N[C@H]1COCC1(C)C)c1ccsc1 ZINC000313032896 385224787 /nfs/dbraw/zinc/22/47/87/385224787.db2.gz JVOUVMLBIWCYGP-RYUDHWBXSA-N 0 3 239.384 3.214 20 0 BGADHN CC[C@@H](N[C@@H]1COCC1(C)C)c1ccsc1 ZINC000313032898 385223706 /nfs/dbraw/zinc/22/37/06/385223706.db2.gz JVOUVMLBIWCYGP-VXGBXAGGSA-N 0 3 239.384 3.214 20 0 BGADHN CC1(C)COC[C@@H]1NCc1ccc(C2CC2)cc1 ZINC000313038330 385232124 /nfs/dbraw/zinc/23/21/24/385232124.db2.gz ZNOSEZPLBKFJHQ-HNNXBMFYSA-N 0 3 245.366 3.079 20 0 BGADHN CC1(C)COC[C@H]1NCc1ccc(C2CC2)cc1 ZINC000313038331 385230552 /nfs/dbraw/zinc/23/05/52/385230552.db2.gz ZNOSEZPLBKFJHQ-OAHLLOKOSA-N 0 3 245.366 3.079 20 0 BGADHN CC1(C)COC[C@@H]1Nc1ccnc2ccccc21 ZINC000313061193 385309661 /nfs/dbraw/zinc/30/96/61/385309661.db2.gz HXYPDHLYQDTGDA-AWEZNQCLSA-N 0 3 242.322 3.072 20 0 BGADHN CC1(C)COC[C@H]1Nc1ccnc2ccccc21 ZINC000313061195 385309239 /nfs/dbraw/zinc/30/92/39/385309239.db2.gz HXYPDHLYQDTGDA-CQSZACIVSA-N 0 3 242.322 3.072 20 0 BGADHN CC[C@@H](O)[C@@H](CC)NCc1ccc(Cl)s1 ZINC000313101958 383882061 /nfs/dbraw/zinc/88/20/61/383882061.db2.gz VDFRTLIOXVVLMB-NXEZZACHSA-N 0 3 247.791 3.041 20 0 BGADHN CC[C@H](O)[C@H](CC)NCc1ccc(Cl)s1 ZINC000313101959 383879656 /nfs/dbraw/zinc/87/96/56/383879656.db2.gz VDFRTLIOXVVLMB-UWVGGRQHSA-N 0 3 247.791 3.041 20 0 BGADHN CC[C@@H](O)[C@H](CC)NCc1ccc(Cl)s1 ZINC000313101962 383880581 /nfs/dbraw/zinc/88/05/81/383880581.db2.gz VDFRTLIOXVVLMB-VHSXEESVSA-N 0 3 247.791 3.041 20 0 BGADHN CC[C@@H](NCc1ccc(Cl)s1)[C@@H](O)CC ZINC000313101964 383881077 /nfs/dbraw/zinc/88/10/77/383881077.db2.gz VDFRTLIOXVVLMB-ZJUUUORDSA-N 0 3 247.791 3.041 20 0 BGADHN CC[C@@H](Nc1ccnc2ccccc21)[C@@H](O)CC ZINC000313103603 383884663 /nfs/dbraw/zinc/88/46/63/383884663.db2.gz VXRANLWUJVDIPB-DOMZBBRYSA-N 0 3 244.338 3.196 20 0 BGADHN CC[C@@H](O)[C@@H](CC)Nc1ccnc2ccccc21 ZINC000313103605 383882588 /nfs/dbraw/zinc/88/25/88/383882588.db2.gz VXRANLWUJVDIPB-IUODEOHRSA-N 0 3 244.338 3.196 20 0 BGADHN CC[C@@H](O)[C@H](CC)Nc1ccnc2ccccc21 ZINC000313103607 256537769 /nfs/dbraw/zinc/53/77/69/256537769.db2.gz VXRANLWUJVDIPB-SWLSCSKDSA-N 0 3 244.338 3.196 20 0 BGADHN CC[C@H](O)[C@H](CC)Nc1ccnc2ccccc21 ZINC000313103609 383884136 /nfs/dbraw/zinc/88/41/36/383884136.db2.gz VXRANLWUJVDIPB-WFASDCNBSA-N 0 3 244.338 3.196 20 0 BGADHN CC[C@H](O)[C@H](CC)N[C@@H](C)c1ccccc1F ZINC000313108525 383895229 /nfs/dbraw/zinc/89/52/29/383895229.db2.gz KQOQAWCOYIXRNQ-BPNCWPANSA-N 0 3 239.334 3.026 20 0 BGADHN CC[C@@H](N[C@@H](C)c1ccccc1F)[C@@H](O)CC ZINC000313108528 383896972 /nfs/dbraw/zinc/89/69/72/383896972.db2.gz KQOQAWCOYIXRNQ-GDLCADMTSA-N 0 3 239.334 3.026 20 0 BGADHN CC[C@@H](N[C@H](C)c1ccccc1F)[C@@H](O)CC ZINC000313108531 383895726 /nfs/dbraw/zinc/89/57/26/383895726.db2.gz KQOQAWCOYIXRNQ-HONMWMINSA-N 0 3 239.334 3.026 20 0 BGADHN CC[C@H](O)[C@H](CC)N[C@H](C)c1ccccc1F ZINC000313108534 383894937 /nfs/dbraw/zinc/89/49/37/383894937.db2.gz KQOQAWCOYIXRNQ-SWHYSGLUSA-N 0 3 239.334 3.026 20 0 BGADHN CC[C@H](O)[C@H](CC)NCc1cc2ccccc2o1 ZINC000313122978 383909018 /nfs/dbraw/zinc/90/90/18/383909018.db2.gz VIPBPHMMIJBJIB-KBPBESRZSA-N 0 3 247.338 3.072 20 0 BGADHN CC[C@@H](NCc1cc2ccccc2o1)[C@@H](O)CC ZINC000313122980 383909198 /nfs/dbraw/zinc/90/91/98/383909198.db2.gz VIPBPHMMIJBJIB-KGLIPLIRSA-N 0 3 247.338 3.072 20 0 BGADHN CC[C@@H](O)[C@H](CC)NCc1cc2ccccc2o1 ZINC000313122981 383908554 /nfs/dbraw/zinc/90/85/54/383908554.db2.gz VIPBPHMMIJBJIB-UONOGXRCSA-N 0 3 247.338 3.072 20 0 BGADHN CC[C@@H](O)[C@@H](CC)NCc1cc2ccccc2o1 ZINC000313122982 383908399 /nfs/dbraw/zinc/90/83/99/383908399.db2.gz VIPBPHMMIJBJIB-ZIAGYGMSSA-N 0 3 247.338 3.072 20 0 BGADHN CC[C@H](O)[C@H](CC)N[C@@H](C)c1cc(C)oc1C ZINC000313143473 384575950 /nfs/dbraw/zinc/57/59/50/384575950.db2.gz ISAZFRGIEWKVHV-BPNCWPANSA-N 0 3 239.359 3.097 20 0 BGADHN CC[C@@H](N[C@@H](C)c1cc(C)oc1C)[C@@H](O)CC ZINC000313143475 383940758 /nfs/dbraw/zinc/94/07/58/383940758.db2.gz ISAZFRGIEWKVHV-GDLCADMTSA-N 0 3 239.359 3.097 20 0 BGADHN CC[C@@H](N[C@H](C)c1cc(C)oc1C)[C@@H](O)CC ZINC000313143478 383940372 /nfs/dbraw/zinc/94/03/72/383940372.db2.gz ISAZFRGIEWKVHV-HONMWMINSA-N 0 3 239.359 3.097 20 0 BGADHN CC[C@H](O)[C@H](CC)N[C@H](C)c1cc(C)oc1C ZINC000313143480 383939764 /nfs/dbraw/zinc/93/97/64/383939764.db2.gz ISAZFRGIEWKVHV-SWHYSGLUSA-N 0 3 239.359 3.097 20 0 BGADHN CC[C@@H](O)[C@@H](CC)NCc1sccc1Cl ZINC000313165267 383975653 /nfs/dbraw/zinc/97/56/53/383975653.db2.gz JKZLUNUJAZTAOY-NXEZZACHSA-N 0 3 247.791 3.041 20 0 BGADHN CC[C@H](O)[C@H](CC)NCc1sccc1Cl ZINC000313165269 383974749 /nfs/dbraw/zinc/97/47/49/383974749.db2.gz JKZLUNUJAZTAOY-UWVGGRQHSA-N 0 3 247.791 3.041 20 0 BGADHN CC[C@@H](O)[C@H](CC)NCc1sccc1Cl ZINC000313165270 383976223 /nfs/dbraw/zinc/97/62/23/383976223.db2.gz JKZLUNUJAZTAOY-VHSXEESVSA-N 0 3 247.791 3.041 20 0 BGADHN CC[C@@H](NCc1sccc1Cl)[C@@H](O)CC ZINC000313165271 383975073 /nfs/dbraw/zinc/97/50/73/383975073.db2.gz JKZLUNUJAZTAOY-ZJUUUORDSA-N 0 3 247.791 3.041 20 0 BGADHN CC[C@@H](O)[C@@H](CC)NCc1ccsc1Cl ZINC000313200203 384030332 /nfs/dbraw/zinc/03/03/32/384030332.db2.gz LWRVLSNAPRMXME-NXEZZACHSA-N 0 3 247.791 3.041 20 0 BGADHN CC[C@H](O)[C@H](CC)NCc1ccsc1Cl ZINC000313200204 384029585 /nfs/dbraw/zinc/02/95/85/384029585.db2.gz LWRVLSNAPRMXME-UWVGGRQHSA-N 0 3 247.791 3.041 20 0 BGADHN CC[C@@H](O)[C@H](CC)NCc1ccsc1Cl ZINC000313200206 384028569 /nfs/dbraw/zinc/02/85/69/384028569.db2.gz LWRVLSNAPRMXME-VHSXEESVSA-N 0 3 247.791 3.041 20 0 BGADHN CC[C@@H](NCc1ccsc1Cl)[C@@H](O)CC ZINC000313200207 385210077 /nfs/dbraw/zinc/21/00/77/385210077.db2.gz LWRVLSNAPRMXME-ZJUUUORDSA-N 0 3 247.791 3.041 20 0 BGADHN C[C@@H]1C[C@H](NCCCC(C)(C)C)c2nccn21 ZINC000313247132 370574758 /nfs/dbraw/zinc/57/47/58/370574758.db2.gz BNXSMIBZRDPXRW-NEPJUHHUSA-N 0 3 235.375 3.305 20 0 BGADHN C[C@H]1C[C@@H](NCCCC(C)(C)C)c2nccn21 ZINC000313247133 370574541 /nfs/dbraw/zinc/57/45/41/370574541.db2.gz BNXSMIBZRDPXRW-NWDGAFQWSA-N 0 3 235.375 3.305 20 0 BGADHN C[C@H]1C[C@H](NCCCC(C)(C)C)c2nccn21 ZINC000313247134 370574502 /nfs/dbraw/zinc/57/45/02/370574502.db2.gz BNXSMIBZRDPXRW-RYUDHWBXSA-N 0 3 235.375 3.305 20 0 BGADHN C[C@@H]1C[C@@H](NCCCC(C)(C)C)c2nccn21 ZINC000313247137 370574231 /nfs/dbraw/zinc/57/42/31/370574231.db2.gz BNXSMIBZRDPXRW-VXGBXAGGSA-N 0 3 235.375 3.305 20 0 BGADHN CC(C)(C)CCC[NH2+]Cc1cc([O-])cc(F)c1 ZINC000313252941 347441217 /nfs/dbraw/zinc/44/12/17/347441217.db2.gz MBOKLHNSZJJCDM-UHFFFAOYSA-N 0 3 239.334 3.447 20 0 BGADHN Cc1cnc(CNCCCC(C)(C)C)s1 ZINC000313255825 344311329 /nfs/dbraw/zinc/31/13/29/344311329.db2.gz WSAQBYWQRQNUBF-UHFFFAOYSA-N 0 3 226.389 3.367 20 0 BGADHN CCCn1nccc1CNCCCC(C)(C)C ZINC000313262274 411372156 /nfs/dbraw/zinc/37/21/56/411372156.db2.gz BLOGACYSPARHHO-UHFFFAOYSA-N 0 3 237.391 3.209 20 0 BGADHN c1cc(CNCCOCC2CCCC2)cs1 ZINC000313274231 259332613 /nfs/dbraw/zinc/33/26/13/259332613.db2.gz TZJXCAWOHKFASQ-UHFFFAOYSA-N 0 3 239.384 3.045 20 0 BGADHN CC(C)n1nccc1CNCCCC(C)(C)C ZINC000313286820 490285754 /nfs/dbraw/zinc/28/57/54/490285754.db2.gz VTHCGGAXKCHUNA-UHFFFAOYSA-N 0 3 237.391 3.380 20 0 BGADHN C[C@@H](NCCOCC1CCCC1)c1ccoc1 ZINC000313293300 343983263 /nfs/dbraw/zinc/98/32/63/343983263.db2.gz IKMXTGCHGHPUTC-GFCCVEGCSA-N 0 3 237.343 3.137 20 0 BGADHN C[C@H](NCCOCC1CCCC1)c1ccoc1 ZINC000313293302 343983113 /nfs/dbraw/zinc/98/31/13/343983113.db2.gz IKMXTGCHGHPUTC-LBPRGKRZSA-N 0 3 237.343 3.137 20 0 BGADHN CCC[C@@H](NCc1ccon1)C1CCCC1 ZINC000313388299 411462271 /nfs/dbraw/zinc/46/22/71/411462271.db2.gz BPILPLITKWFFMG-CYBMUJFWSA-N 0 3 222.332 3.123 20 0 BGADHN CCC[C@H](NCc1ccon1)C1CCCC1 ZINC000313388300 411462134 /nfs/dbraw/zinc/46/21/34/411462134.db2.gz BPILPLITKWFFMG-ZDUSSCGKSA-N 0 3 222.332 3.123 20 0 BGADHN CCC[C@H](N[C@@H](C)c1ncc[nH]1)C1CCCC1 ZINC000313396417 487640589 /nfs/dbraw/zinc/64/05/89/487640589.db2.gz IKJOEYSSMZEGMQ-AAEUAGOBSA-N 0 3 235.375 3.419 20 0 BGADHN CCC[C@@H](N[C@H](C)c1ncc[nH]1)C1CCCC1 ZINC000313396419 487640521 /nfs/dbraw/zinc/64/05/21/487640521.db2.gz IKJOEYSSMZEGMQ-DGCLKSJQSA-N 0 3 235.375 3.419 20 0 BGADHN CCC[C@@H](N[C@@H](C)c1ncc[nH]1)C1CCCC1 ZINC000313397240 487640455 /nfs/dbraw/zinc/64/04/55/487640455.db2.gz IKJOEYSSMZEGMQ-WCQYABFASA-N 0 3 235.375 3.419 20 0 BGADHN CCC[C@H](N[C@H](C)c1ncc[nH]1)C1CCCC1 ZINC000313397242 487640419 /nfs/dbraw/zinc/64/04/19/487640419.db2.gz IKJOEYSSMZEGMQ-YPMHNXCESA-N 0 3 235.375 3.419 20 0 BGADHN CCC[C@H](NCc1cc(C)on1)C1CCCC1 ZINC000313407294 259334514 /nfs/dbraw/zinc/33/45/14/259334514.db2.gz LLOOIXKWKLOVJT-AWEZNQCLSA-N 0 3 236.359 3.432 20 0 BGADHN CCC[C@@H](NCc1cc(C)on1)C1CCCC1 ZINC000313407295 491124045 /nfs/dbraw/zinc/12/40/45/491124045.db2.gz LLOOIXKWKLOVJT-CQSZACIVSA-N 0 3 236.359 3.432 20 0 BGADHN CCC[C@@H](NCc1ncc(C)o1)C1CCCC1 ZINC000313418747 487936206 /nfs/dbraw/zinc/93/62/06/487936206.db2.gz XPZNNBPYCRUXGO-CYBMUJFWSA-N 0 3 236.359 3.432 20 0 BGADHN CCC[C@H](NCc1ncc(C)o1)C1CCCC1 ZINC000313418748 487936154 /nfs/dbraw/zinc/93/61/54/487936154.db2.gz XPZNNBPYCRUXGO-ZDUSSCGKSA-N 0 3 236.359 3.432 20 0 BGADHN CCC[C@H](NCc1nccn1CC)C1CCCC1 ZINC000313420512 491125099 /nfs/dbraw/zinc/12/50/99/491125099.db2.gz HAPBBQDVRSTSKY-AWEZNQCLSA-N 0 3 249.402 3.352 20 0 BGADHN CCC[C@@H](NCc1nccn1CC)C1CCCC1 ZINC000313420514 398231229 /nfs/dbraw/zinc/23/12/29/398231229.db2.gz HAPBBQDVRSTSKY-CQSZACIVSA-N 0 3 249.402 3.352 20 0 BGADHN CCC[C@H](NCc1cc(C)no1)C1CCCC1 ZINC000313422009 384358995 /nfs/dbraw/zinc/35/89/95/384358995.db2.gz FGPOLZBTUMRBCT-AWEZNQCLSA-N 0 3 236.359 3.432 20 0 BGADHN CCC[C@@H](NCc1cc(C)no1)C1CCCC1 ZINC000313422010 384357813 /nfs/dbraw/zinc/35/78/13/384357813.db2.gz FGPOLZBTUMRBCT-CQSZACIVSA-N 0 3 236.359 3.432 20 0 BGADHN Cc1ccc(CNCCCC(C)C)nc1C ZINC000313858055 259366217 /nfs/dbraw/zinc/36/62/17/259366217.db2.gz VDZJVWDAXUQRPY-UHFFFAOYSA-N 0 3 220.360 3.224 20 0 BGADHN Cc1ccc(CNCCC(C)(C)C)nc1C ZINC000313918540 384715086 /nfs/dbraw/zinc/71/50/86/384715086.db2.gz KILNOFWRCACWFW-UHFFFAOYSA-N 0 3 220.360 3.224 20 0 BGADHN CCCC[C@@H](C)NCc1ccc(C)c(C)n1 ZINC000313927096 384714413 /nfs/dbraw/zinc/71/44/13/384714413.db2.gz LYAFSZHLKVHLHX-GFCCVEGCSA-N 0 3 220.360 3.367 20 0 BGADHN CCCC[C@H](C)NCc1ccc(C)c(C)n1 ZINC000313927099 384714593 /nfs/dbraw/zinc/71/45/93/384714593.db2.gz LYAFSZHLKVHLHX-LBPRGKRZSA-N 0 3 220.360 3.367 20 0 BGADHN Cc1ccc(CNC2CC(C(C)C)C2)nc1C ZINC000314327160 259367085 /nfs/dbraw/zinc/36/70/85/259367085.db2.gz SUMGWEOFADVJJN-UHFFFAOYSA-N 0 3 232.371 3.223 20 0 BGADHN CC[C@](C)(CN[C@H](C)c1cccc(F)c1)OC ZINC000319016087 259382080 /nfs/dbraw/zinc/38/20/80/259382080.db2.gz HBRUUZDQJXVIRV-BXUZGUMPSA-N 0 3 239.334 3.291 20 0 BGADHN CC[C@@](C)(CN[C@@H](C)c1cccc(F)c1)OC ZINC000319016089 259382263 /nfs/dbraw/zinc/38/22/63/259382263.db2.gz HBRUUZDQJXVIRV-FZMZJTMJSA-N 0 3 239.334 3.291 20 0 BGADHN CC[C@@](C)(CN[C@H](C)c1cccc(F)c1)OC ZINC000319016090 259382267 /nfs/dbraw/zinc/38/22/67/259382267.db2.gz HBRUUZDQJXVIRV-RISCZKNCSA-N 0 3 239.334 3.291 20 0 BGADHN CC[C@](C)(CN[C@@H](C)c1cccc(F)c1)OC ZINC000319016091 259382297 /nfs/dbraw/zinc/38/22/97/259382297.db2.gz HBRUUZDQJXVIRV-SMDDNHRTSA-N 0 3 239.334 3.291 20 0 BGADHN CC[C@](C)(CN[C@H](C)c1ccccc1F)OC ZINC000319109653 259384592 /nfs/dbraw/zinc/38/45/92/259384592.db2.gz YURCJLQDDRFZHM-BXUZGUMPSA-N 0 3 239.334 3.291 20 0 BGADHN CC[C@@](C)(CN[C@H](C)c1ccccc1F)OC ZINC000319109654 259384844 /nfs/dbraw/zinc/38/48/44/259384844.db2.gz YURCJLQDDRFZHM-RISCZKNCSA-N 0 3 239.334 3.291 20 0 BGADHN CCN(Cc1cc(C)nc(Cl)c1)C1CC1 ZINC000320557085 711935603 /nfs/dbraw/zinc/93/56/03/711935603.db2.gz DTSUYQTVLJJVFD-UHFFFAOYSA-N 0 3 224.735 3.028 20 0 BGADHN Cc1cc(CN2CC[C@H](C)[C@H]2C)cc(Cl)n1 ZINC000320672544 643766499 /nfs/dbraw/zinc/76/64/99/643766499.db2.gz YDSXTHQUHXQHBC-GXSJLCMTSA-N 0 3 238.762 3.274 20 0 BGADHN Cc1cc(CN2CC[C@@H](C)[C@@H]2C)cc(Cl)n1 ZINC000320672545 636326654 /nfs/dbraw/zinc/32/66/54/636326654.db2.gz YDSXTHQUHXQHBC-KOLCDFICSA-N 0 3 238.762 3.274 20 0 BGADHN Cc1cc(CN2CC[C@@H](C)[C@H]2C)cc(Cl)n1 ZINC000320672546 643767748 /nfs/dbraw/zinc/76/77/48/643767748.db2.gz YDSXTHQUHXQHBC-MWLCHTKSSA-N 0 3 238.762 3.274 20 0 BGADHN Cc1cc(CN2CC[C@H](C)[C@@H]2C)cc(Cl)n1 ZINC000320672547 636325093 /nfs/dbraw/zinc/32/50/93/636325093.db2.gz YDSXTHQUHXQHBC-ONGXEEELSA-N 0 3 238.762 3.274 20 0 BGADHN Cc1cc(CN2C[C@@H](C)C[C@H]2C)cc(Cl)n1 ZINC000320811803 643865625 /nfs/dbraw/zinc/86/56/25/643865625.db2.gz FMWXMRJJNAQGDE-GXSJLCMTSA-N 0 3 238.762 3.274 20 0 BGADHN Cc1cc(CN2C[C@H](C)C[C@@H]2C)cc(Cl)n1 ZINC000320811807 643865948 /nfs/dbraw/zinc/86/59/48/643865948.db2.gz FMWXMRJJNAQGDE-KOLCDFICSA-N 0 3 238.762 3.274 20 0 BGADHN Cc1cc(CN2C[C@H](C)C[C@H]2C)cc(Cl)n1 ZINC000320811810 643865551 /nfs/dbraw/zinc/86/55/51/643865551.db2.gz FMWXMRJJNAQGDE-MWLCHTKSSA-N 0 3 238.762 3.274 20 0 BGADHN Cc1cc(CN2C[C@@H](C)C[C@@H]2C)cc(Cl)n1 ZINC000320811814 643866046 /nfs/dbraw/zinc/86/60/46/643866046.db2.gz FMWXMRJJNAQGDE-ONGXEEELSA-N 0 3 238.762 3.274 20 0 BGADHN Cc1occc1CN[C@@H]1CC12CCCC2 ZINC000320831342 398267950 /nfs/dbraw/zinc/26/79/50/398267950.db2.gz ASFUOKJMPPCXSW-GFCCVEGCSA-N 0 3 205.301 3.010 20 0 BGADHN Cc1occc1CN[C@H]1CC12CCCC2 ZINC000320831344 398267938 /nfs/dbraw/zinc/26/79/38/398267938.db2.gz ASFUOKJMPPCXSW-LBPRGKRZSA-N 0 3 205.301 3.010 20 0 BGADHN Cc1cc(CN2C[C@H](C)[C@H](C)C2)cc(Cl)n1 ZINC000320863624 643888061 /nfs/dbraw/zinc/88/80/61/643888061.db2.gz KYJBHUBISUVANW-AOOOYVTPSA-N 0 3 238.762 3.131 20 0 BGADHN Cc1cc(CN2C[C@@H](C)[C@H](C)C2)cc(Cl)n1 ZINC000320863634 643887799 /nfs/dbraw/zinc/88/77/99/643887799.db2.gz KYJBHUBISUVANW-NXEZZACHSA-N 0 3 238.762 3.131 20 0 BGADHN Cc1cc(CN2C[C@H](C)[C@@H](C)C2)cc(Cl)n1 ZINC000320863641 636460781 /nfs/dbraw/zinc/46/07/81/636460781.db2.gz KYJBHUBISUVANW-UWVGGRQHSA-N 0 3 238.762 3.131 20 0 BGADHN CC[C@@H]1CCN(Cc2cc(C)nc(Cl)c2)C1 ZINC000320899192 636501339 /nfs/dbraw/zinc/50/13/39/636501339.db2.gz OIIQXSCKTJGXQU-LLVKDONJSA-N 0 3 238.762 3.275 20 0 BGADHN CC[C@H]1CCN(Cc2cc(C)nc(Cl)c2)C1 ZINC000320899193 636501529 /nfs/dbraw/zinc/50/15/29/636501529.db2.gz OIIQXSCKTJGXQU-NSHDSACASA-N 0 3 238.762 3.275 20 0 BGADHN Cc1occc1CN[C@H](C)CCc1ccco1 ZINC000320908887 387002519 /nfs/dbraw/zinc/00/25/19/387002519.db2.gz JGMWPGPGEOKFOS-LLVKDONJSA-N 0 3 233.311 3.292 20 0 BGADHN Cc1occc1CN[C@@H](C)CCc1ccco1 ZINC000320908889 387003805 /nfs/dbraw/zinc/00/38/05/387003805.db2.gz JGMWPGPGEOKFOS-NSHDSACASA-N 0 3 233.311 3.292 20 0 BGADHN Cc1occc1CNc1cccc(CN(C)C)c1 ZINC000320976923 387826851 /nfs/dbraw/zinc/82/68/51/387826851.db2.gz PIUZXRCXLFDAAL-UHFFFAOYSA-N 0 3 244.338 3.262 20 0 BGADHN Cc1csc(CNCc2ccoc2C)c1 ZINC000320987546 387884292 /nfs/dbraw/zinc/88/42/92/387884292.db2.gz HVYNJGGMGNWDCU-UHFFFAOYSA-N 0 3 221.325 3.248 20 0 BGADHN Cc1occc1CNCC1=CCCCC1 ZINC000320992477 370691276 /nfs/dbraw/zinc/69/12/76/370691276.db2.gz AELQEQBOFAQLPP-UHFFFAOYSA-N 0 3 205.301 3.178 20 0 BGADHN CC(C)Oc1ncccc1CN[C@H](C)[C@H]1C[C@H]1C ZINC000321071700 488126288 /nfs/dbraw/zinc/12/62/88/488126288.db2.gz KKUXNCBNRGHHSD-BZPMIXESSA-N 0 3 248.370 3.003 20 0 BGADHN CC(C)Oc1ncccc1CN[C@H](C)[C@@H]1C[C@@H]1C ZINC000321071703 488126965 /nfs/dbraw/zinc/12/69/65/488126965.db2.gz KKUXNCBNRGHHSD-OUCADQQQSA-N 0 3 248.370 3.003 20 0 BGADHN CC(C)Oc1ncccc1CN[C@H](C)[C@H]1C[C@@H]1C ZINC000321071704 488126751 /nfs/dbraw/zinc/12/67/51/488126751.db2.gz KKUXNCBNRGHHSD-SCRDCRAPSA-N 0 3 248.370 3.003 20 0 BGADHN CC(C)Oc1ncccc1CN[C@H](C)[C@@H]1C[C@H]1C ZINC000321071705 487743978 /nfs/dbraw/zinc/74/39/78/487743978.db2.gz KKUXNCBNRGHHSD-YRGRVCCFSA-N 0 3 248.370 3.003 20 0 BGADHN CCc1nc(C)c(CN[C@H](CC)[C@H]2C[C@H]2C)o1 ZINC000321099295 259469031 /nfs/dbraw/zinc/46/90/31/259469031.db2.gz OTECDDCQJYELGC-ADEWGFFLSA-N 0 3 236.359 3.070 20 0 BGADHN CCc1nc(C)c(CN[C@H](CC)[C@@H]2C[C@@H]2C)o1 ZINC000321099297 259469003 /nfs/dbraw/zinc/46/90/03/259469003.db2.gz OTECDDCQJYELGC-MVWJERBFSA-N 0 3 236.359 3.070 20 0 BGADHN CCc1nc(C)c(CN[C@H](CC)[C@@H]2C[C@H]2C)o1 ZINC000321099299 387948537 /nfs/dbraw/zinc/94/85/37/387948537.db2.gz OTECDDCQJYELGC-YUSALJHKSA-N 0 3 236.359 3.070 20 0 BGADHN CCc1nc(C)c(CN[C@H](CC)[C@H]2C[C@@H]2C)o1 ZINC000321099300 387948046 /nfs/dbraw/zinc/94/80/46/387948046.db2.gz OTECDDCQJYELGC-ZMLRMANQSA-N 0 3 236.359 3.070 20 0 BGADHN CSCCCCCNCc1ccoc1C ZINC000321195803 387958287 /nfs/dbraw/zinc/95/82/87/387958287.db2.gz GQTIDPGONALCEG-UHFFFAOYSA-N 0 3 227.373 3.211 20 0 BGADHN Cc1occc1CN[C@@H]1C[C@H]1CC(C)C ZINC000321198533 398051193 /nfs/dbraw/zinc/05/11/93/398051193.db2.gz HAGLNUPWCNIZHQ-CHWSQXEVSA-N 0 3 207.317 3.112 20 0 BGADHN CCSCC[C@H](C)NCc1ccoc1C ZINC000321224446 387055499 /nfs/dbraw/zinc/05/54/99/387055499.db2.gz KSITVHPVSJZUCA-JTQLQIEISA-N 0 3 227.373 3.209 20 0 BGADHN CCSCC[C@@H](C)NCc1ccoc1C ZINC000321224449 387056001 /nfs/dbraw/zinc/05/60/01/387056001.db2.gz KSITVHPVSJZUCA-SNVBAGLBSA-N 0 3 227.373 3.209 20 0 BGADHN CC[C@@H]1CCCN1Cc1cc(C)nc(Cl)c1 ZINC000321298295 636619812 /nfs/dbraw/zinc/61/98/12/636619812.db2.gz KAHXXFIONXPUAD-GFCCVEGCSA-N 0 3 238.762 3.418 20 0 BGADHN CC[C@H]1CCCN1Cc1cc(C)nc(Cl)c1 ZINC000321298299 636620670 /nfs/dbraw/zinc/62/06/70/636620670.db2.gz KAHXXFIONXPUAD-LBPRGKRZSA-N 0 3 238.762 3.418 20 0 BGADHN CCCC1(CNCc2ccoc2C)CC1 ZINC000321298801 386833243 /nfs/dbraw/zinc/83/32/43/386833243.db2.gz VGGAOMZVNJTSME-UHFFFAOYSA-N 0 3 207.317 3.258 20 0 BGADHN Cc1occc1CNCCc1cccc(C)c1 ZINC000321318924 387095364 /nfs/dbraw/zinc/09/53/64/387095364.db2.gz XSXMSAZJXIXJFG-UHFFFAOYSA-N 0 3 229.323 3.229 20 0 BGADHN Cc1occc1CNCCc1ccc(F)cc1C ZINC000321339921 323380738 /nfs/dbraw/zinc/38/07/38/323380738.db2.gz BAMIMYQKAUQZCY-UHFFFAOYSA-N 0 3 247.313 3.368 20 0 BGADHN CCOC1(CNCc2ccoc2C)CCCC1 ZINC000321343998 387134050 /nfs/dbraw/zinc/13/40/50/387134050.db2.gz BTXFGRSKUPLROR-UHFFFAOYSA-N 0 3 237.343 3.027 20 0 BGADHN Cc1occc1CNCCCC(C)(F)F ZINC000321345669 387134306 /nfs/dbraw/zinc/13/43/06/387134306.db2.gz BXLGCPFPACAMSY-UHFFFAOYSA-N 0 3 217.259 3.113 20 0 BGADHN Cc1occc1CNCCC1=CCCC1 ZINC000321345746 259472800 /nfs/dbraw/zinc/47/28/00/259472800.db2.gz BZORXESJLHYICX-UHFFFAOYSA-N 0 3 205.301 3.178 20 0 BGADHN Cc1occc1CNC[C@H]1CCCC1(F)F ZINC000321372026 387139409 /nfs/dbraw/zinc/13/94/09/387139409.db2.gz FDCPCLPRKHEIFV-LLVKDONJSA-N 0 3 229.270 3.113 20 0 BGADHN Cc1occc1CNC[C@@H]1CCCC1(F)F ZINC000321372031 387138015 /nfs/dbraw/zinc/13/80/15/387138015.db2.gz FDCPCLPRKHEIFV-NSHDSACASA-N 0 3 229.270 3.113 20 0 BGADHN Cc1occc1CNCCOc1cccc(C)c1 ZINC000321456782 387209132 /nfs/dbraw/zinc/20/91/32/387209132.db2.gz GCWQYRINRMYDEZ-UHFFFAOYSA-N 0 3 245.322 3.065 20 0 BGADHN Cc1occc1CN[C@H]1CCc2ccccc21 ZINC000321470552 387232599 /nfs/dbraw/zinc/23/25/99/387232599.db2.gz HOPWWHPFYLWOMV-HNNXBMFYSA-N 0 3 227.307 3.365 20 0 BGADHN Cc1occc1CN[C@@H]1CCc2ccccc21 ZINC000321470553 387230983 /nfs/dbraw/zinc/23/09/83/387230983.db2.gz HOPWWHPFYLWOMV-OAHLLOKOSA-N 0 3 227.307 3.365 20 0 BGADHN C[C@@H](NCc1ccc(F)cc1F)[C@@H]1C[C@H]1C ZINC000321477422 387248191 /nfs/dbraw/zinc/24/81/91/387248191.db2.gz ILBYNBWAGSDNDJ-KBVBSXBZSA-N 0 3 225.282 3.099 20 0 BGADHN C[C@@H](NCc1ccc(F)cc1F)[C@H]1C[C@H]1C ZINC000321477423 387247455 /nfs/dbraw/zinc/24/74/55/387247455.db2.gz ILBYNBWAGSDNDJ-LNLATYFQSA-N 0 3 225.282 3.099 20 0 BGADHN C[C@H](NCc1ccc(F)cc1F)[C@H]1C[C@H]1C ZINC000321477424 387247372 /nfs/dbraw/zinc/24/73/72/387247372.db2.gz ILBYNBWAGSDNDJ-PTRXPTGYSA-N 0 3 225.282 3.099 20 0 BGADHN C[C@H](NCc1ccc(F)cc1F)[C@@H]1C[C@H]1C ZINC000321477425 387247069 /nfs/dbraw/zinc/24/70/69/387247069.db2.gz ILBYNBWAGSDNDJ-VDDIYKPWSA-N 0 3 225.282 3.099 20 0 BGADHN Cc1occc1CNCCOC1CCCCC1 ZINC000321482331 387232437 /nfs/dbraw/zinc/23/24/37/387232437.db2.gz JCCMMJTWAUZENS-UHFFFAOYSA-N 0 3 237.343 3.027 20 0 BGADHN Cc1occc1CNCCCC(F)(F)F ZINC000321484597 259473790 /nfs/dbraw/zinc/47/37/90/259473790.db2.gz JJJBKZKIBYCQOM-UHFFFAOYSA-N 0 3 221.222 3.020 20 0 BGADHN Cc1csc([C@H](C)N[C@H](C)[C@@H]2C[C@@H]2C)n1 ZINC000321488298 387265027 /nfs/dbraw/zinc/26/50/27/387265027.db2.gz JZIOLKAVJQQRHW-CDEVMZEPSA-N 0 3 224.373 3.147 20 0 BGADHN Cc1csc([C@H](C)N[C@H](C)[C@@H]2C[C@H]2C)n1 ZINC000321488299 259474854 /nfs/dbraw/zinc/47/48/54/259474854.db2.gz JZIOLKAVJQQRHW-CZULRBLNSA-N 0 3 224.373 3.147 20 0 BGADHN Cc1csc([C@H](C)N[C@H](C)[C@H]2C[C@H]2C)n1 ZINC000321488300 387266050 /nfs/dbraw/zinc/26/60/50/387266050.db2.gz JZIOLKAVJQQRHW-SNXWAXQRSA-N 0 3 224.373 3.147 20 0 BGADHN Cc1csc([C@H](C)N[C@H](C)[C@H]2C[C@@H]2C)n1 ZINC000321488301 387265634 /nfs/dbraw/zinc/26/56/34/387265634.db2.gz JZIOLKAVJQQRHW-VFRUTBLMSA-N 0 3 224.373 3.147 20 0 BGADHN Cc1occc1CNCCc1ccccc1C ZINC000321496680 387262303 /nfs/dbraw/zinc/26/23/03/387262303.db2.gz LCHCXEVWEPNSFL-UHFFFAOYSA-N 0 3 229.323 3.229 20 0 BGADHN Cc1occc1CNCCc1ccc(F)cc1 ZINC000321498148 387262543 /nfs/dbraw/zinc/26/25/43/387262543.db2.gz LGXKWMWUMKENDZ-UHFFFAOYSA-N 0 3 233.286 3.059 20 0 BGADHN Cc1occc1CNCCc1ccccc1F ZINC000321499559 387265968 /nfs/dbraw/zinc/26/59/68/387265968.db2.gz GXBGPFYTJXSMPM-UHFFFAOYSA-N 0 3 233.286 3.059 20 0 BGADHN Cc1occc1CNCCc1cccc(F)c1 ZINC000321513888 259474864 /nfs/dbraw/zinc/47/48/64/259474864.db2.gz NFJKFQHBGGXGNY-UHFFFAOYSA-N 0 3 233.286 3.059 20 0 BGADHN Cc1occc1CNCCCOc1ccccc1 ZINC000321517843 387270141 /nfs/dbraw/zinc/27/01/41/387270141.db2.gz NSINKPLSIRTGFG-UHFFFAOYSA-N 0 3 245.322 3.147 20 0 BGADHN Cc1occc1CN[C@@H]1CC12CCCCC2 ZINC000321593931 387265219 /nfs/dbraw/zinc/26/52/19/387265219.db2.gz XAHCPVZNSLIBAE-CYBMUJFWSA-N 0 3 219.328 3.400 20 0 BGADHN Cc1occc1CN[C@H]1CC12CCCCC2 ZINC000321593933 387265407 /nfs/dbraw/zinc/26/54/07/387265407.db2.gz XAHCPVZNSLIBAE-ZDUSSCGKSA-N 0 3 219.328 3.400 20 0 BGADHN C[C@@H](NCc1cc(F)ccc1F)[C@@H]1C[C@H]1C ZINC000321608144 387284202 /nfs/dbraw/zinc/28/42/02/387284202.db2.gz YUMZXSVUZGWALX-KBVBSXBZSA-N 0 3 225.282 3.099 20 0 BGADHN C[C@@H](NCc1cc(F)ccc1F)[C@H]1C[C@H]1C ZINC000321608146 387283186 /nfs/dbraw/zinc/28/31/86/387283186.db2.gz YUMZXSVUZGWALX-LNLATYFQSA-N 0 3 225.282 3.099 20 0 BGADHN C[C@H](NCc1cc(F)ccc1F)[C@H]1C[C@H]1C ZINC000321608149 387283460 /nfs/dbraw/zinc/28/34/60/387283460.db2.gz YUMZXSVUZGWALX-PTRXPTGYSA-N 0 3 225.282 3.099 20 0 BGADHN C[C@H](NCc1cc(F)ccc1F)[C@@H]1C[C@H]1C ZINC000321608152 387284288 /nfs/dbraw/zinc/28/42/88/387284288.db2.gz YUMZXSVUZGWALX-VDDIYKPWSA-N 0 3 225.282 3.099 20 0 BGADHN Cc1occc1CNCCSc1ccccc1 ZINC000321665637 387292018 /nfs/dbraw/zinc/29/20/18/387292018.db2.gz XCRZXNHXDILWEL-UHFFFAOYSA-N 0 3 247.363 3.470 20 0 BGADHN Cc1occc1CN[C@H](C)Cc1ccc(F)cc1 ZINC000321676803 537859423 /nfs/dbraw/zinc/85/94/23/537859423.db2.gz YNEQFJFWXKBIIZ-LLVKDONJSA-N 0 3 247.313 3.448 20 0 BGADHN Cc1occc1CN[C@@H](C)Cc1ccc(F)cc1 ZINC000321676804 537859233 /nfs/dbraw/zinc/85/92/33/537859233.db2.gz YNEQFJFWXKBIIZ-NSHDSACASA-N 0 3 247.313 3.448 20 0 BGADHN CCc1cnc(CN[C@H](CC)[C@H]2C[C@H]2C)s1 ZINC000322116048 387909034 /nfs/dbraw/zinc/90/90/34/387909034.db2.gz BJCIFPDAYRYSTD-ADEWGFFLSA-N 0 3 238.400 3.230 20 0 BGADHN CCc1cnc(CN[C@H](CC)[C@@H]2C[C@@H]2C)s1 ZINC000322116049 387908544 /nfs/dbraw/zinc/90/85/44/387908544.db2.gz BJCIFPDAYRYSTD-MVWJERBFSA-N 0 3 238.400 3.230 20 0 BGADHN CCc1cnc(CN[C@H](CC)[C@@H]2C[C@H]2C)s1 ZINC000322116050 387908326 /nfs/dbraw/zinc/90/83/26/387908326.db2.gz BJCIFPDAYRYSTD-YUSALJHKSA-N 0 3 238.400 3.230 20 0 BGADHN CCc1cnc(CN[C@H](CC)[C@H]2C[C@@H]2C)s1 ZINC000322116051 387908805 /nfs/dbraw/zinc/90/88/05/387908805.db2.gz BJCIFPDAYRYSTD-ZMLRMANQSA-N 0 3 238.400 3.230 20 0 BGADHN CCc1nc(CN[C@H](CC)[C@H]2C[C@H]2C)cs1 ZINC000322166813 411215832 /nfs/dbraw/zinc/21/58/32/411215832.db2.gz LCOROHQSPNNNHX-ADEWGFFLSA-N 0 3 238.400 3.230 20 0 BGADHN CCc1nc(CN[C@H](CC)[C@@H]2C[C@@H]2C)cs1 ZINC000322166814 411215844 /nfs/dbraw/zinc/21/58/44/411215844.db2.gz LCOROHQSPNNNHX-MVWJERBFSA-N 0 3 238.400 3.230 20 0 BGADHN CCc1nc(CN[C@H](CC)[C@@H]2C[C@H]2C)cs1 ZINC000322166815 411215583 /nfs/dbraw/zinc/21/55/83/411215583.db2.gz LCOROHQSPNNNHX-YUSALJHKSA-N 0 3 238.400 3.230 20 0 BGADHN CCc1nc(CN[C@H](CC)[C@H]2C[C@@H]2C)cs1 ZINC000322166816 259492407 /nfs/dbraw/zinc/49/24/07/259492407.db2.gz LCOROHQSPNNNHX-ZMLRMANQSA-N 0 3 238.400 3.230 20 0 BGADHN CC[C@@H](NCc1csc(C)n1)C1CCC1 ZINC000322249705 488177074 /nfs/dbraw/zinc/17/70/74/488177074.db2.gz CKTJYIVZRRAEEF-GFCCVEGCSA-N 0 3 224.373 3.120 20 0 BGADHN CC[C@H](NCc1csc(C)n1)C1CCC1 ZINC000322249706 488176969 /nfs/dbraw/zinc/17/69/69/488176969.db2.gz CKTJYIVZRRAEEF-LBPRGKRZSA-N 0 3 224.373 3.120 20 0 BGADHN CCC[C@@H](NCc1nccs1)C1CCC1 ZINC000322262008 388429458 /nfs/dbraw/zinc/42/94/58/388429458.db2.gz HLEFLRVSAFTNPZ-LLVKDONJSA-N 0 3 224.373 3.202 20 0 BGADHN CCC[C@H](NCc1nccs1)C1CCC1 ZINC000322262009 388429189 /nfs/dbraw/zinc/42/91/89/388429189.db2.gz HLEFLRVSAFTNPZ-NSHDSACASA-N 0 3 224.373 3.202 20 0 BGADHN CC[C@@H](NCc1ncc(C)s1)C1CCC1 ZINC000322273250 343978517 /nfs/dbraw/zinc/97/85/17/343978517.db2.gz LCOAHEWWQGRIJM-LLVKDONJSA-N 0 3 224.373 3.120 20 0 BGADHN CC[C@H](NCc1ncc(C)s1)C1CCC1 ZINC000322273251 343978200 /nfs/dbraw/zinc/97/82/00/343978200.db2.gz LCOAHEWWQGRIJM-NSHDSACASA-N 0 3 224.373 3.120 20 0 BGADHN CC[C@@H](N[C@@H](C)c1nccs1)C1CCC1 ZINC000322274958 388429767 /nfs/dbraw/zinc/42/97/67/388429767.db2.gz LSBPTNMKQYADDJ-GXSJLCMTSA-N 0 3 224.373 3.372 20 0 BGADHN CC[C@H](N[C@@H](C)c1nccs1)C1CCC1 ZINC000322274962 259703646 /nfs/dbraw/zinc/70/36/46/259703646.db2.gz LSBPTNMKQYADDJ-ONGXEEELSA-N 0 3 224.373 3.372 20 0 BGADHN CC[C@@H](NCc1nc(C)cs1)C1CCC1 ZINC000322293002 388430566 /nfs/dbraw/zinc/43/05/66/388430566.db2.gz ROCQPCSGNYLXFA-LLVKDONJSA-N 0 3 224.373 3.120 20 0 BGADHN CC[C@H](NCc1nc(C)cs1)C1CCC1 ZINC000322293004 388430469 /nfs/dbraw/zinc/43/04/69/388430469.db2.gz ROCQPCSGNYLXFA-NSHDSACASA-N 0 3 224.373 3.120 20 0 BGADHN CCC[C@@H](NCc1cscn1)C1CCC1 ZINC000322303967 388431178 /nfs/dbraw/zinc/43/11/78/388431178.db2.gz VRSKTYUODBPERB-GFCCVEGCSA-N 0 3 224.373 3.202 20 0 BGADHN CCC[C@H](NCc1cscn1)C1CCC1 ZINC000322303968 388431104 /nfs/dbraw/zinc/43/11/04/388431104.db2.gz VRSKTYUODBPERB-LBPRGKRZSA-N 0 3 224.373 3.202 20 0 BGADHN CCc1nc(CN[C@H](CC)C2CCC2)cs1 ZINC000322359090 259705591 /nfs/dbraw/zinc/70/55/91/259705591.db2.gz GNXAAOQIJGYWHZ-GFCCVEGCSA-N 0 3 238.400 3.374 20 0 BGADHN CCc1nc(CN[C@@H](CC)C2CCC2)cs1 ZINC000322359092 388432226 /nfs/dbraw/zinc/43/22/26/388432226.db2.gz GNXAAOQIJGYWHZ-LBPRGKRZSA-N 0 3 238.400 3.374 20 0 BGADHN CCC[C@@H](NCc1ncc(CC)o1)C1CCC1 ZINC000322364281 259310685 /nfs/dbraw/zinc/31/06/85/259310685.db2.gz HSTBJYNPRWTJHG-CYBMUJFWSA-N 0 3 236.359 3.295 20 0 BGADHN CCC[C@H](NCc1ncc(CC)o1)C1CCC1 ZINC000322364282 259310949 /nfs/dbraw/zinc/31/09/49/259310949.db2.gz HSTBJYNPRWTJHG-ZDUSSCGKSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1nc(C)c(CN[C@H](CC)C2CCC2)o1 ZINC000322383419 259706374 /nfs/dbraw/zinc/70/63/74/259706374.db2.gz MGSPUFIIFJXPIE-GFCCVEGCSA-N 0 3 236.359 3.214 20 0 BGADHN CCc1nc(C)c(CN[C@@H](CC)C2CCC2)o1 ZINC000322383420 259706107 /nfs/dbraw/zinc/70/61/07/259706107.db2.gz MGSPUFIIFJXPIE-LBPRGKRZSA-N 0 3 236.359 3.214 20 0 BGADHN CCC[C@@H](NCc1oc(C)nc1C)C1CCC1 ZINC000322388280 488184419 /nfs/dbraw/zinc/18/44/19/488184419.db2.gz NUCCMOSLEAZNBL-CYBMUJFWSA-N 0 3 236.359 3.350 20 0 BGADHN CCC[C@H](NCc1oc(C)nc1C)C1CCC1 ZINC000322388281 488183219 /nfs/dbraw/zinc/18/32/19/488183219.db2.gz NUCCMOSLEAZNBL-ZDUSSCGKSA-N 0 3 236.359 3.350 20 0 BGADHN CCc1cnc(CN[C@H](CC)C2CCC2)s1 ZINC000322395956 259337133 /nfs/dbraw/zinc/33/71/33/259337133.db2.gz QEVWPXYTIHYRAJ-GFCCVEGCSA-N 0 3 238.400 3.374 20 0 BGADHN CCc1cnc(CN[C@@H](CC)C2CCC2)s1 ZINC000322395957 259337156 /nfs/dbraw/zinc/33/71/56/259337156.db2.gz QEVWPXYTIHYRAJ-LBPRGKRZSA-N 0 3 238.400 3.374 20 0 BGADHN CCC[C@@H](NCc1nc(C)c(C)o1)C1CCC1 ZINC000322396922 388433148 /nfs/dbraw/zinc/43/31/48/388433148.db2.gz QMIQUSUDPDTSHK-CYBMUJFWSA-N 0 3 236.359 3.350 20 0 BGADHN CCC[C@H](NCc1nc(C)c(C)o1)C1CCC1 ZINC000322396923 388434208 /nfs/dbraw/zinc/43/42/08/388434208.db2.gz QMIQUSUDPDTSHK-ZDUSSCGKSA-N 0 3 236.359 3.350 20 0 BGADHN CC[C@](C)(CNCc1ccccc1Cl)OC ZINC000322509571 388436886 /nfs/dbraw/zinc/43/68/86/388436886.db2.gz AAHLLBWSQSMKAG-CYBMUJFWSA-N 0 3 241.762 3.245 20 0 BGADHN CC[C@@](C)(CNCc1ccccc1Cl)OC ZINC000322509574 388437250 /nfs/dbraw/zinc/43/72/50/388437250.db2.gz AAHLLBWSQSMKAG-ZDUSSCGKSA-N 0 3 241.762 3.245 20 0 BGADHN CC[C@@](C)(CNCc1cc2ccccc2o1)OC ZINC000322516720 388437506 /nfs/dbraw/zinc/43/75/06/388437506.db2.gz KIQAAHYJJJLCRV-HNNXBMFYSA-N 0 3 247.338 3.338 20 0 BGADHN CC[C@](C)(CNCc1cc2ccccc2o1)OC ZINC000322516722 388437124 /nfs/dbraw/zinc/43/71/24/388437124.db2.gz KIQAAHYJJJLCRV-OAHLLOKOSA-N 0 3 247.338 3.338 20 0 BGADHN CC[C@@](C)(CNCc1coc2ccccc12)OC ZINC000322544280 388438389 /nfs/dbraw/zinc/43/83/89/388438389.db2.gz UFPQWESTPKPZLR-HNNXBMFYSA-N 0 3 247.338 3.338 20 0 BGADHN CC[C@](C)(CNCc1coc2ccccc12)OC ZINC000322544282 388437957 /nfs/dbraw/zinc/43/79/57/388437957.db2.gz UFPQWESTPKPZLR-OAHLLOKOSA-N 0 3 247.338 3.338 20 0 BGADHN CC[C@](C)(CNCc1ccc(Cl)s1)OC ZINC000322582001 259710554 /nfs/dbraw/zinc/71/05/54/259710554.db2.gz CZDXLIYAHYLZKA-LLVKDONJSA-N 0 3 247.791 3.306 20 0 BGADHN CC[C@@](C)(CNCc1ccc(Cl)s1)OC ZINC000322582002 388439114 /nfs/dbraw/zinc/43/91/14/388439114.db2.gz CZDXLIYAHYLZKA-NSHDSACASA-N 0 3 247.791 3.306 20 0 BGADHN CC[C@@](C)(CNCc1cccc(C)c1F)OC ZINC000322599734 388439685 /nfs/dbraw/zinc/43/96/85/388439685.db2.gz IDXOGEKSCLEYNS-AWEZNQCLSA-N 0 3 239.334 3.039 20 0 BGADHN CC[C@](C)(CNCc1cccc(C)c1F)OC ZINC000322599736 259468045 /nfs/dbraw/zinc/46/80/45/259468045.db2.gz IDXOGEKSCLEYNS-CQSZACIVSA-N 0 3 239.334 3.039 20 0 BGADHN CC[C@](C)(CNCc1cc(Cl)cs1)OC ZINC000322608316 388441176 /nfs/dbraw/zinc/44/11/76/388441176.db2.gz KCHVDENVJSVNOX-LLVKDONJSA-N 0 3 247.791 3.306 20 0 BGADHN CC[C@@](C)(CNCc1cc(Cl)cs1)OC ZINC000322608317 388440848 /nfs/dbraw/zinc/44/08/48/388440848.db2.gz KCHVDENVJSVNOX-NSHDSACASA-N 0 3 247.791 3.306 20 0 BGADHN CC[C@](C)(CNCc1cccc(Cl)c1)OC ZINC000322638945 388442177 /nfs/dbraw/zinc/44/21/77/388442177.db2.gz TWFYKVFGAFXJMG-CYBMUJFWSA-N 0 3 241.762 3.245 20 0 BGADHN CC[C@@](C)(CNCc1cccc(Cl)c1)OC ZINC000322638946 388441694 /nfs/dbraw/zinc/44/16/94/388441694.db2.gz TWFYKVFGAFXJMG-ZDUSSCGKSA-N 0 3 241.762 3.245 20 0 BGADHN CC[C@](C)(CN[C@@H](C)c1ccsc1)OC ZINC000322646704 388442815 /nfs/dbraw/zinc/44/28/15/388442815.db2.gz VUKJNDJGDCTRMA-CMPLNLGQSA-N 0 3 227.373 3.214 20 0 BGADHN CC[C@@](C)(CN[C@@H](C)c1ccsc1)OC ZINC000322646705 388443072 /nfs/dbraw/zinc/44/30/72/388443072.db2.gz VUKJNDJGDCTRMA-JQWIXIFHSA-N 0 3 227.373 3.214 20 0 BGADHN CC[C@@](C)(CN[C@H](C)c1ccsc1)OC ZINC000322646706 259712972 /nfs/dbraw/zinc/71/29/72/259712972.db2.gz VUKJNDJGDCTRMA-PWSUYJOCSA-N 0 3 227.373 3.214 20 0 BGADHN CC[C@](C)(CN[C@H](C)c1ccsc1)OC ZINC000322646707 388443067 /nfs/dbraw/zinc/44/30/67/388443067.db2.gz VUKJNDJGDCTRMA-ZYHUDNBSSA-N 0 3 227.373 3.214 20 0 BGADHN CC[C@](C)(CNCc1sccc1Cl)OC ZINC000322674555 388443913 /nfs/dbraw/zinc/44/39/13/388443913.db2.gz GRGWKLPOLJZJJY-LLVKDONJSA-N 0 3 247.791 3.306 20 0 BGADHN CC[C@@](C)(CNCc1sccc1Cl)OC ZINC000322674563 388444068 /nfs/dbraw/zinc/44/40/68/388444068.db2.gz GRGWKLPOLJZJJY-NSHDSACASA-N 0 3 247.791 3.306 20 0 BGADHN CC[C@@](C)(CNCc1cc(F)ccc1C)OC ZINC000322683801 388444189 /nfs/dbraw/zinc/44/41/89/388444189.db2.gz IVNJHGLJJSWOPJ-AWEZNQCLSA-N 0 3 239.334 3.039 20 0 BGADHN CC[C@](C)(CNCc1cc(F)ccc1C)OC ZINC000322683803 388443809 /nfs/dbraw/zinc/44/38/09/388443809.db2.gz IVNJHGLJJSWOPJ-CQSZACIVSA-N 0 3 239.334 3.039 20 0 BGADHN CC[C@](C)(CN[C@H](C)c1cc(C)oc1C)OC ZINC000322711893 388444814 /nfs/dbraw/zinc/44/48/14/388444814.db2.gz QCNFKOVVWAEDJL-BXUZGUMPSA-N 0 3 239.359 3.362 20 0 BGADHN CC[C@@](C)(CN[C@@H](C)c1cc(C)oc1C)OC ZINC000322712223 388445494 /nfs/dbraw/zinc/44/54/94/388445494.db2.gz QCNFKOVVWAEDJL-FZMZJTMJSA-N 0 3 239.359 3.362 20 0 BGADHN CC[C@@](C)(CN[C@H](C)c1cc(C)oc1C)OC ZINC000322712224 388445444 /nfs/dbraw/zinc/44/54/44/388445444.db2.gz QCNFKOVVWAEDJL-RISCZKNCSA-N 0 3 239.359 3.362 20 0 BGADHN CC[C@](C)(CN[C@@H](C)c1cc(C)oc1C)OC ZINC000322712225 388444981 /nfs/dbraw/zinc/44/49/81/388444981.db2.gz QCNFKOVVWAEDJL-SMDDNHRTSA-N 0 3 239.359 3.362 20 0 BGADHN CCC[C@@H](NCc1cc(C)no1)C1CCC1 ZINC000322757279 388446102 /nfs/dbraw/zinc/44/61/02/388446102.db2.gz CASYBWUUTPTAFH-CYBMUJFWSA-N 0 3 222.332 3.041 20 0 BGADHN CCC[C@H](NCc1cc(C)no1)C1CCC1 ZINC000322757280 388446277 /nfs/dbraw/zinc/44/62/77/388446277.db2.gz CASYBWUUTPTAFH-ZDUSSCGKSA-N 0 3 222.332 3.041 20 0 BGADHN CC[C@@](C)(CN[C@@H](C)c1ccc(C)o1)OC ZINC000322773441 388446372 /nfs/dbraw/zinc/44/63/72/388446372.db2.gz IYFSACMGFGQMPV-AAEUAGOBSA-N 0 3 225.332 3.054 20 0 BGADHN CC[C@](C)(CN[C@H](C)c1ccc(C)o1)OC ZINC000322773442 388446168 /nfs/dbraw/zinc/44/61/68/388446168.db2.gz IYFSACMGFGQMPV-DGCLKSJQSA-N 0 3 225.332 3.054 20 0 BGADHN CC[C@](C)(CN[C@@H](C)c1ccc(C)o1)OC ZINC000322773443 388446237 /nfs/dbraw/zinc/44/62/37/388446237.db2.gz IYFSACMGFGQMPV-WCQYABFASA-N 0 3 225.332 3.054 20 0 BGADHN CC[C@@](C)(CN[C@H](C)c1ccc(C)o1)OC ZINC000322773444 388446159 /nfs/dbraw/zinc/44/61/59/388446159.db2.gz IYFSACMGFGQMPV-YPMHNXCESA-N 0 3 225.332 3.054 20 0 BGADHN CCC[C@@H](NCc1cc(C)on1)C1CCC1 ZINC000322842862 388448582 /nfs/dbraw/zinc/44/85/82/388448582.db2.gz MCMQNYWZMPNCJX-CYBMUJFWSA-N 0 3 222.332 3.041 20 0 BGADHN CCC[C@H](NCc1cc(C)on1)C1CCC1 ZINC000322842863 388448712 /nfs/dbraw/zinc/44/87/12/388448712.db2.gz MCMQNYWZMPNCJX-ZDUSSCGKSA-N 0 3 222.332 3.041 20 0 BGADHN CCC[C@@H](NCc1ncc(C)o1)C1CCC1 ZINC000322850166 388448762 /nfs/dbraw/zinc/44/87/62/388448762.db2.gz PEYXWFLGUJQYBP-GFCCVEGCSA-N 0 3 222.332 3.041 20 0 BGADHN CCC[C@H](NCc1ncc(C)o1)C1CCC1 ZINC000322850167 388448623 /nfs/dbraw/zinc/44/86/23/388448623.db2.gz PEYXWFLGUJQYBP-LBPRGKRZSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1cc(CN)cc(NC(=O)CCC(C)(C)C)c1 ZINC000322901822 388449827 /nfs/dbraw/zinc/44/98/27/388449827.db2.gz HKTHRBDPNXGVLU-UHFFFAOYSA-N 0 3 248.370 3.219 20 0 BGADHN CCCC[C@@H](C)C(=O)Nc1cc(C)cc(CN)c1 ZINC000322957872 384358277 /nfs/dbraw/zinc/35/82/77/384358277.db2.gz VDVODUXFEAAIIJ-GFCCVEGCSA-N 0 3 248.370 3.219 20 0 BGADHN CCCC[C@H](C)C(=O)Nc1cc(C)cc(CN)c1 ZINC000322957873 322821232 /nfs/dbraw/zinc/82/12/32/322821232.db2.gz VDVODUXFEAAIIJ-LBPRGKRZSA-N 0 3 248.370 3.219 20 0 BGADHN CC[C@@](C)(CNc1ccnc2ccccc21)OC ZINC000322984818 384551550 /nfs/dbraw/zinc/55/15/50/384551550.db2.gz BPQGNNDQANBRRB-HNNXBMFYSA-N 0 3 244.338 3.462 20 0 BGADHN CC[C@](C)(CNc1ccnc2ccccc21)OC ZINC000322984822 322831060 /nfs/dbraw/zinc/83/10/60/322831060.db2.gz BPQGNNDQANBRRB-OAHLLOKOSA-N 0 3 244.338 3.462 20 0 BGADHN CC[C@@](C)(CNCc1ccc(C)c(F)c1)OC ZINC000322984992 384555468 /nfs/dbraw/zinc/55/54/68/384555468.db2.gz BQZGBUIEQPHADS-AWEZNQCLSA-N 0 3 239.334 3.039 20 0 BGADHN CC[C@](C)(CNCc1ccc(C)c(F)c1)OC ZINC000322984996 323204442 /nfs/dbraw/zinc/20/44/42/323204442.db2.gz BQZGBUIEQPHADS-CQSZACIVSA-N 0 3 239.334 3.039 20 0 BGADHN CC[C@](C)(CN[C@H]1CCCc2occc21)OC ZINC000323047195 259310103 /nfs/dbraw/zinc/31/01/03/259310103.db2.gz PSQQCIRLVVDNNA-GXTWGEPZSA-N 0 3 237.343 3.062 20 0 BGADHN CC[C@@](C)(CN[C@H]1CCCc2occc21)OC ZINC000323047196 259310011 /nfs/dbraw/zinc/31/00/11/259310011.db2.gz PSQQCIRLVVDNNA-JSGCOSHPSA-N 0 3 237.343 3.062 20 0 BGADHN CC[C@@](C)(CN[C@@H]1CCCc2occc21)OC ZINC000323047197 259310064 /nfs/dbraw/zinc/31/00/64/259310064.db2.gz PSQQCIRLVVDNNA-OCCSQVGLSA-N 0 3 237.343 3.062 20 0 BGADHN CC[C@](C)(CN[C@@H]1CCCc2occc21)OC ZINC000323047198 259310017 /nfs/dbraw/zinc/31/00/17/259310017.db2.gz PSQQCIRLVVDNNA-TZMCWYRMSA-N 0 3 237.343 3.062 20 0 BGADHN CC[C@@](C)(CN[C@@H](C)c1ccccc1F)OC ZINC000323081926 259316599 /nfs/dbraw/zinc/31/65/99/259316599.db2.gz YURCJLQDDRFZHM-FZMZJTMJSA-N 0 3 239.334 3.291 20 0 BGADHN CC[C@](C)(CN[C@@H](C)c1ccccc1F)OC ZINC000323081927 259316610 /nfs/dbraw/zinc/31/66/10/259316610.db2.gz YURCJLQDDRFZHM-SMDDNHRTSA-N 0 3 239.334 3.291 20 0 BGADHN CC[C@@](C)(CNCc1cc(C)ccc1F)OC ZINC000323082429 384574125 /nfs/dbraw/zinc/57/41/25/384574125.db2.gz YXTZMFUKIWQNCY-AWEZNQCLSA-N 0 3 239.334 3.039 20 0 BGADHN CC[C@](C)(CNCc1cc(C)ccc1F)OC ZINC000323082430 322929924 /nfs/dbraw/zinc/92/99/24/322929924.db2.gz YXTZMFUKIWQNCY-CQSZACIVSA-N 0 3 239.334 3.039 20 0 BGADHN CC[C@@H](NC/C(Cl)=C/Cl)C1CC1 ZINC000323722964 639389346 /nfs/dbraw/zinc/38/93/46/639389346.db2.gz MUZMQXUECOQRDD-BZJXQOFCSA-N 0 3 208.132 3.084 20 0 BGADHN CC[C@H](NC/C(Cl)=C\Cl)C1CC1 ZINC000323722965 639389818 /nfs/dbraw/zinc/38/98/18/639389818.db2.gz MUZMQXUECOQRDD-QRJSTWQJSA-N 0 3 208.132 3.084 20 0 BGADHN CC[C@H](NC/C(Cl)=C/Cl)C1CC1 ZINC000323722966 639390238 /nfs/dbraw/zinc/39/02/38/639390238.db2.gz MUZMQXUECOQRDD-RDOCRHDPSA-N 0 3 208.132 3.084 20 0 BGADHN CC[C@@H](NC/C(Cl)=C\Cl)C1CC1 ZINC000323722967 639389719 /nfs/dbraw/zinc/38/97/19/639389719.db2.gz MUZMQXUECOQRDD-WHXYTISESA-N 0 3 208.132 3.084 20 0 BGADHN CC[C@@H](NCc1ncc(Cl)s1)C1CC1 ZINC000323792180 488221777 /nfs/dbraw/zinc/22/17/77/488221777.db2.gz DITNOBXIRZLICP-MRVPVSSYSA-N 0 3 230.764 3.075 20 0 BGADHN CC[C@H](NCc1ncc(Cl)s1)C1CC1 ZINC000323792182 488221641 /nfs/dbraw/zinc/22/16/41/488221641.db2.gz DITNOBXIRZLICP-QMMMGPOBSA-N 0 3 230.764 3.075 20 0 BGADHN CC(C)[C@H]([NH2+]Cc1ccc([O-])c(F)c1)C1CC1 ZINC000324206258 641675869 /nfs/dbraw/zinc/67/58/69/641675869.db2.gz ZCASMJQYYLFZSX-AWEZNQCLSA-N 0 3 237.318 3.056 20 0 BGADHN CC(C)[C@@H]([NH2+]Cc1ccc([O-])c(F)c1)C1CC1 ZINC000324206259 641675703 /nfs/dbraw/zinc/67/57/03/641675703.db2.gz ZCASMJQYYLFZSX-CQSZACIVSA-N 0 3 237.318 3.056 20 0 BGADHN Cc1nc(CN[C@H](C2CC2)C(C)(C)C)cs1 ZINC000324255509 641683181 /nfs/dbraw/zinc/68/31/81/641683181.db2.gz KTEFIXANKAHFKG-GFCCVEGCSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1nc(CN[C@@H](C2CC2)C(C)(C)C)cs1 ZINC000324255513 641682687 /nfs/dbraw/zinc/68/26/87/641682687.db2.gz KTEFIXANKAHFKG-LBPRGKRZSA-N 0 3 238.400 3.366 20 0 BGADHN CC(C)[C@@H](NCc1ccncc1Cl)C1CC1 ZINC000324296913 388115635 /nfs/dbraw/zinc/11/56/35/388115635.db2.gz SYCIHTCDIAIJEV-CYBMUJFWSA-N 0 3 238.762 3.259 20 0 BGADHN CC(C)[C@H](NCc1ccncc1Cl)C1CC1 ZINC000324296915 388115394 /nfs/dbraw/zinc/11/53/94/388115394.db2.gz SYCIHTCDIAIJEV-ZDUSSCGKSA-N 0 3 238.762 3.259 20 0 BGADHN CC[C@@H](NCc1ccncc1Cl)C1CC1 ZINC000324337046 487577845 /nfs/dbraw/zinc/57/78/45/487577845.db2.gz RGMQVRYFDCVMAI-GFCCVEGCSA-N 0 3 224.735 3.013 20 0 BGADHN CC[C@H](NCc1ccncc1Cl)C1CC1 ZINC000324337047 487577592 /nfs/dbraw/zinc/57/75/92/487577592.db2.gz RGMQVRYFDCVMAI-LBPRGKRZSA-N 0 3 224.735 3.013 20 0 BGADHN CC[C@@H](NCc1cc(F)c(F)cc1F)C1CC1 ZINC000324376650 487587000 /nfs/dbraw/zinc/58/70/00/487587000.db2.gz YIGZYYWBJKKLGI-CYBMUJFWSA-N 0 3 243.272 3.382 20 0 BGADHN CC[C@H](NCc1cc(F)c(F)cc1F)C1CC1 ZINC000324376651 487586812 /nfs/dbraw/zinc/58/68/12/487586812.db2.gz YIGZYYWBJKKLGI-ZDUSSCGKSA-N 0 3 243.272 3.382 20 0 BGADHN CC(C)[C@@H](N[C@H](C)c1cscn1)C1CC1 ZINC000324481094 487621752 /nfs/dbraw/zinc/62/17/52/487621752.db2.gz BWWRSHATOTWOPV-BXKDBHETSA-N 0 3 224.373 3.228 20 0 BGADHN CC(C)[C@H](N[C@@H](C)c1cscn1)C1CC1 ZINC000324481097 487621999 /nfs/dbraw/zinc/62/19/99/487621999.db2.gz BWWRSHATOTWOPV-CABZTGNLSA-N 0 3 224.373 3.228 20 0 BGADHN CC(C)[C@@H](N[C@@H](C)c1cscn1)C1CC1 ZINC000324481099 487621794 /nfs/dbraw/zinc/62/17/94/487621794.db2.gz BWWRSHATOTWOPV-JOYOIKCWSA-N 0 3 224.373 3.228 20 0 BGADHN CC(C)[C@H](N[C@H](C)c1cscn1)C1CC1 ZINC000324481101 487621893 /nfs/dbraw/zinc/62/18/93/487621893.db2.gz BWWRSHATOTWOPV-SKDRFNHKSA-N 0 3 224.373 3.228 20 0 BGADHN CC[C@@H](NCc1cccc(F)c1F)C1CC1 ZINC000324515134 487624748 /nfs/dbraw/zinc/62/47/48/487624748.db2.gz VBNZNMMKKHJCAE-GFCCVEGCSA-N 0 3 225.282 3.243 20 0 BGADHN CC[C@H](NCc1cccc(F)c1F)C1CC1 ZINC000324515135 487625192 /nfs/dbraw/zinc/62/51/92/487625192.db2.gz VBNZNMMKKHJCAE-LBPRGKRZSA-N 0 3 225.282 3.243 20 0 BGADHN CC[C@H](NCc1ccn(C2CCCC2)n1)C1CC1 ZINC000324531342 387353645 /nfs/dbraw/zinc/35/36/45/387353645.db2.gz YEOCRPXLSWNWDA-HNNXBMFYSA-N 0 3 247.386 3.276 20 0 BGADHN CC[C@@H](NCc1ccn(C2CCCC2)n1)C1CC1 ZINC000324531343 356387421 /nfs/dbraw/zinc/38/74/21/356387421.db2.gz YEOCRPXLSWNWDA-OAHLLOKOSA-N 0 3 247.386 3.276 20 0 BGADHN CC(C)[C@@H](NCc1ncc(Cl)s1)C1CC1 ZINC000324577366 487632229 /nfs/dbraw/zinc/63/22/29/487632229.db2.gz WPCDVDWMNFKBAA-LLVKDONJSA-N 0 3 244.791 3.321 20 0 BGADHN CC(C)[C@H](NCc1ncc(Cl)s1)C1CC1 ZINC000324577367 487632204 /nfs/dbraw/zinc/63/22/04/487632204.db2.gz WPCDVDWMNFKBAA-NSHDSACASA-N 0 3 244.791 3.321 20 0 BGADHN CC(C)[C@@H](N[C@@H](C)c1nccs1)C1CC1 ZINC000324581819 487632150 /nfs/dbraw/zinc/63/21/50/487632150.db2.gz XMBBTEGUZHMMIR-GXSJLCMTSA-N 0 3 224.373 3.228 20 0 BGADHN CC(C)[C@H](N[C@H](C)c1nccs1)C1CC1 ZINC000324581820 487632221 /nfs/dbraw/zinc/63/22/21/487632221.db2.gz XMBBTEGUZHMMIR-KOLCDFICSA-N 0 3 224.373 3.228 20 0 BGADHN CC(C)[C@@H](N[C@H](C)c1nccs1)C1CC1 ZINC000324582221 487632125 /nfs/dbraw/zinc/63/21/25/487632125.db2.gz XMBBTEGUZHMMIR-MWLCHTKSSA-N 0 3 224.373 3.228 20 0 BGADHN CC(C)[C@H](N[C@@H](C)c1nccs1)C1CC1 ZINC000324582222 487632031 /nfs/dbraw/zinc/63/20/31/487632031.db2.gz XMBBTEGUZHMMIR-ONGXEEELSA-N 0 3 224.373 3.228 20 0 BGADHN CC[C@H](N[C@H]1C[C@H](C)n2ccnc21)C1CCC1 ZINC000324625235 387478383 /nfs/dbraw/zinc/47/83/83/387478383.db2.gz DFIFUBGJVUKKHB-DRZSPHRISA-N 0 3 233.359 3.057 20 0 BGADHN CC[C@H](N[C@@H]1C[C@@H](C)n2ccnc21)C1CCC1 ZINC000324625236 387479191 /nfs/dbraw/zinc/47/91/91/387479191.db2.gz DFIFUBGJVUKKHB-KGYLQXTDSA-N 0 3 233.359 3.057 20 0 BGADHN CC[C@H](N[C@@H]1C[C@H](C)n2ccnc21)C1CCC1 ZINC000324625237 387478496 /nfs/dbraw/zinc/47/84/96/387478496.db2.gz DFIFUBGJVUKKHB-WCFLWFBJSA-N 0 3 233.359 3.057 20 0 BGADHN CC[C@H](N[C@H]1C[C@@H](C)n2ccnc21)C1CCC1 ZINC000324625238 387478423 /nfs/dbraw/zinc/47/84/23/387478423.db2.gz DFIFUBGJVUKKHB-WXHSDQCUSA-N 0 3 233.359 3.057 20 0 BGADHN [O-]c1cc(F)cc(C[NH2+][C@H](C2CC2)C2CCC2)c1 ZINC000324639182 387490394 /nfs/dbraw/zinc/49/03/94/387490394.db2.gz CJWNETKTCLKOHU-HNNXBMFYSA-N 0 3 249.329 3.200 20 0 BGADHN [O-]c1cc(F)cc(C[NH2+][C@@H](C2CC2)C2CCC2)c1 ZINC000324639564 387490139 /nfs/dbraw/zinc/49/01/39/387490139.db2.gz CJWNETKTCLKOHU-OAHLLOKOSA-N 0 3 249.329 3.200 20 0 BGADHN [O-]c1ccc(C[NH2+][C@H](C2CC2)C2CCC2)cc1F ZINC000324647137 641886378 /nfs/dbraw/zinc/88/63/78/641886378.db2.gz FAVXLTCPKLDOBK-HNNXBMFYSA-N 0 3 249.329 3.200 20 0 BGADHN [O-]c1ccc(C[NH2+][C@@H](C2CC2)C2CCC2)cc1F ZINC000324647138 641886209 /nfs/dbraw/zinc/88/62/09/641886209.db2.gz FAVXLTCPKLDOBK-OAHLLOKOSA-N 0 3 249.329 3.200 20 0 BGADHN CCC[C@H](N[C@@H]1C[C@H](C)n2ccnc21)C1CCC1 ZINC000324651961 387492753 /nfs/dbraw/zinc/49/27/53/387492753.db2.gz GDYJUPYRZUTMJY-FPMFFAJLSA-N 0 3 247.386 3.447 20 0 BGADHN CCC[C@H](N[C@@H]1C[C@@H](C)n2ccnc21)C1CCC1 ZINC000324651962 387492374 /nfs/dbraw/zinc/49/23/74/387492374.db2.gz GDYJUPYRZUTMJY-KWCYVHTRSA-N 0 3 247.386 3.447 20 0 BGADHN CCC[C@H](N[C@H]1C[C@H](C)n2ccnc21)C1CCC1 ZINC000324651963 387491745 /nfs/dbraw/zinc/49/17/45/387491745.db2.gz GDYJUPYRZUTMJY-UBHSHLNASA-N 0 3 247.386 3.447 20 0 BGADHN CCC[C@H](N[C@H]1C[C@@H](C)n2ccnc21)C1CCC1 ZINC000324651964 262793243 /nfs/dbraw/zinc/79/32/43/262793243.db2.gz GDYJUPYRZUTMJY-XBFCOCLRSA-N 0 3 247.386 3.447 20 0 BGADHN CC[C@H](NCc1ccn(C(C)C)n1)C1CCC1 ZINC000324669794 350309447 /nfs/dbraw/zinc/30/94/47/350309447.db2.gz AIRNGBVUXBWPNC-AWEZNQCLSA-N 0 3 235.375 3.132 20 0 BGADHN CC[C@@H](NCc1ccn(C(C)C)n1)C1CCC1 ZINC000324669795 350309402 /nfs/dbraw/zinc/30/94/02/350309402.db2.gz AIRNGBVUXBWPNC-CQSZACIVSA-N 0 3 235.375 3.132 20 0 BGADHN Cc1csc(CN[C@@H](C2CC2)C2CCC2)n1 ZINC000324794846 323283349 /nfs/dbraw/zinc/28/33/49/323283349.db2.gz LDCXCNMBRFMWLL-CYBMUJFWSA-N 0 3 236.384 3.120 20 0 BGADHN Cc1csc(CN[C@H](C2CC2)C2CCC2)n1 ZINC000324794847 323284195 /nfs/dbraw/zinc/28/41/95/323284195.db2.gz LDCXCNMBRFMWLL-ZDUSSCGKSA-N 0 3 236.384 3.120 20 0 BGADHN Cc1nc(CN[C@@H](C2CC2)C2CCC2)cs1 ZINC000324799493 323284240 /nfs/dbraw/zinc/28/42/40/323284240.db2.gz MPWVTDJAVCKEGC-CYBMUJFWSA-N 0 3 236.384 3.120 20 0 BGADHN Cc1nc(CN[C@H](C2CC2)C2CCC2)cs1 ZINC000324799494 323284288 /nfs/dbraw/zinc/28/42/88/323284288.db2.gz MPWVTDJAVCKEGC-ZDUSSCGKSA-N 0 3 236.384 3.120 20 0 BGADHN C[C@@H](N[C@@H](C1CC1)C1CCC1)c1cscn1 ZINC000324806660 350310628 /nfs/dbraw/zinc/31/06/28/350310628.db2.gz OJULHDKFCPCVCD-NOZJJQNGSA-N 0 3 236.384 3.372 20 0 BGADHN C[C@@H](N[C@H](C1CC1)C1CCC1)c1cscn1 ZINC000324806661 350310862 /nfs/dbraw/zinc/31/08/62/350310862.db2.gz OJULHDKFCPCVCD-RNCFNFMXSA-N 0 3 236.384 3.372 20 0 BGADHN C[C@H](N[C@@H](C1CC1)C1CCC1)c1cscn1 ZINC000324806662 350310838 /nfs/dbraw/zinc/31/08/38/350310838.db2.gz OJULHDKFCPCVCD-TVQRCGJNSA-N 0 3 236.384 3.372 20 0 BGADHN C[C@H](N[C@H](C1CC1)C1CCC1)c1cscn1 ZINC000324806663 350311182 /nfs/dbraw/zinc/31/11/82/350311182.db2.gz OJULHDKFCPCVCD-ZANVPECISA-N 0 3 236.384 3.372 20 0 BGADHN CC[C@H](NCc1cn2ccccc2n1)C1CCC1 ZINC000324819193 262795853 /nfs/dbraw/zinc/79/58/53/262795853.db2.gz ROPMYYMNQVZATI-AWEZNQCLSA-N 0 3 243.354 3.003 20 0 BGADHN CC[C@@H](NCc1cn2ccccc2n1)C1CCC1 ZINC000324819194 262795976 /nfs/dbraw/zinc/79/59/76/262795976.db2.gz ROPMYYMNQVZATI-CQSZACIVSA-N 0 3 243.354 3.003 20 0 BGADHN C[C@@H](N[C@@H](C1CC1)C1CCC1)c1nccs1 ZINC000324824536 387529918 /nfs/dbraw/zinc/52/99/18/387529918.db2.gz SYKBBWCUXSFTBZ-BXKDBHETSA-N 0 3 236.384 3.372 20 0 BGADHN C[C@H](N[C@H](C1CC1)C1CCC1)c1nccs1 ZINC000324824537 387529718 /nfs/dbraw/zinc/52/97/18/387529718.db2.gz SYKBBWCUXSFTBZ-CABZTGNLSA-N 0 3 236.384 3.372 20 0 BGADHN C[C@H](N[C@@H](C1CC1)C1CCC1)c1nccs1 ZINC000324824538 387530620 /nfs/dbraw/zinc/53/06/20/387530620.db2.gz SYKBBWCUXSFTBZ-JOYOIKCWSA-N 0 3 236.384 3.372 20 0 BGADHN C[C@@H](N[C@H](C1CC1)C1CCC1)c1nccs1 ZINC000324824539 387529566 /nfs/dbraw/zinc/52/95/66/387529566.db2.gz SYKBBWCUXSFTBZ-SKDRFNHKSA-N 0 3 236.384 3.372 20 0 BGADHN CC(C)n1ccc(CN[C@H](C2CC2)C2CCC2)n1 ZINC000324829272 350311486 /nfs/dbraw/zinc/31/14/86/350311486.db2.gz YSJROEFHTHKJNN-HNNXBMFYSA-N 0 3 247.386 3.132 20 0 BGADHN CC(C)n1ccc(CN[C@@H](C2CC2)C2CCC2)n1 ZINC000324829274 350311423 /nfs/dbraw/zinc/31/14/23/350311423.db2.gz YSJROEFHTHKJNN-OAHLLOKOSA-N 0 3 247.386 3.132 20 0 BGADHN CC[C@@H](NCc1cn2ccsc2n1)C1CCC1 ZINC000324831393 387533829 /nfs/dbraw/zinc/53/38/29/387533829.db2.gz ZDDJZFCBLZQJOP-GFCCVEGCSA-N 0 3 249.383 3.064 20 0 BGADHN CC[C@H](NCc1cn2ccsc2n1)C1CCC1 ZINC000324831394 387534252 /nfs/dbraw/zinc/53/42/52/387534252.db2.gz ZDDJZFCBLZQJOP-LBPRGKRZSA-N 0 3 249.383 3.064 20 0 BGADHN CC[C@@H](N[C@@H](C)c1cscn1)C1CCC1 ZINC000324890198 537812000 /nfs/dbraw/zinc/81/20/00/537812000.db2.gz GCPFJAGDNMTUDZ-GXSJLCMTSA-N 0 3 224.373 3.372 20 0 BGADHN CC[C@H](N[C@H](C)c1cscn1)C1CCC1 ZINC000324890200 583205301 /nfs/dbraw/zinc/20/53/01/583205301.db2.gz GCPFJAGDNMTUDZ-KOLCDFICSA-N 0 3 224.373 3.372 20 0 BGADHN CC[C@@H](N[C@H](C)c1cscn1)C1CCC1 ZINC000324890202 583205380 /nfs/dbraw/zinc/20/53/80/583205380.db2.gz GCPFJAGDNMTUDZ-MWLCHTKSSA-N 0 3 224.373 3.372 20 0 BGADHN CC[C@H](N[C@@H](C)c1cscn1)C1CCC1 ZINC000324890204 583205412 /nfs/dbraw/zinc/20/54/12/583205412.db2.gz GCPFJAGDNMTUDZ-ONGXEEELSA-N 0 3 224.373 3.372 20 0 BGADHN CCC[C@H](N[C@@H](C)c1nccn1C)C1CCC1 ZINC000324912383 487642542 /nfs/dbraw/zinc/64/25/42/487642542.db2.gz JRTAEOFHWNOZJL-AAEUAGOBSA-N 0 3 235.375 3.040 20 0 BGADHN CCC[C@@H](N[C@H](C)c1nccn1C)C1CCC1 ZINC000324912384 487642756 /nfs/dbraw/zinc/64/27/56/487642756.db2.gz JRTAEOFHWNOZJL-DGCLKSJQSA-N 0 3 235.375 3.040 20 0 BGADHN CCC[C@@H](N[C@@H](C)c1nccn1C)C1CCC1 ZINC000324912385 487642422 /nfs/dbraw/zinc/64/24/22/487642422.db2.gz JRTAEOFHWNOZJL-WCQYABFASA-N 0 3 235.375 3.040 20 0 BGADHN CCC[C@H](N[C@H](C)c1nccn1C)C1CCC1 ZINC000324912386 487642567 /nfs/dbraw/zinc/64/25/67/487642567.db2.gz JRTAEOFHWNOZJL-YPMHNXCESA-N 0 3 235.375 3.040 20 0 BGADHN CCC[C@H](N[C@@H](C)c1cnccn1)C1CCC1 ZINC000324942549 386693839 /nfs/dbraw/zinc/69/38/39/386693839.db2.gz RCHSVOMNQLWSRZ-AAEUAGOBSA-N 0 3 233.359 3.096 20 0 BGADHN CCC[C@@H](N[C@H](C)c1cnccn1)C1CCC1 ZINC000324942550 386693237 /nfs/dbraw/zinc/69/32/37/386693237.db2.gz RCHSVOMNQLWSRZ-DGCLKSJQSA-N 0 3 233.359 3.096 20 0 BGADHN CCC[C@@H](N[C@@H](C)c1cnccn1)C1CCC1 ZINC000324942551 386692988 /nfs/dbraw/zinc/69/29/88/386692988.db2.gz RCHSVOMNQLWSRZ-WCQYABFASA-N 0 3 233.359 3.096 20 0 BGADHN CCC[C@H](N[C@H](C)c1cnccn1)C1CCC1 ZINC000324942552 386694438 /nfs/dbraw/zinc/69/44/38/386694438.db2.gz RCHSVOMNQLWSRZ-YPMHNXCESA-N 0 3 233.359 3.096 20 0 BGADHN C[C@@H](NC(C1CCC1)C1CCC1)c1nccn1C ZINC000324974865 386708123 /nfs/dbraw/zinc/70/81/23/386708123.db2.gz QQGQLORAWPURCR-LLVKDONJSA-N 0 3 247.386 3.040 20 0 BGADHN C[C@H](NC(C1CCC1)C1CCC1)c1nccn1C ZINC000324974866 386707885 /nfs/dbraw/zinc/70/78/85/386707885.db2.gz QQGQLORAWPURCR-NSHDSACASA-N 0 3 247.386 3.040 20 0 BGADHN CC[C@@H](NCc1ncc(Cl)s1)C1CCC1 ZINC000324994458 643215096 /nfs/dbraw/zinc/21/50/96/643215096.db2.gz XNRVIYPEEPNJDX-SECBINFHSA-N 0 3 244.791 3.465 20 0 BGADHN CC[C@H](NCc1ncc(Cl)s1)C1CCC1 ZINC000324994459 643214709 /nfs/dbraw/zinc/21/47/09/643214709.db2.gz XNRVIYPEEPNJDX-VIFPVBQESA-N 0 3 244.791 3.465 20 0 BGADHN C[C@@H]1C[C@H](N[C@@H](C2CC2)C2CCC2)c2nccn21 ZINC000325044493 323308761 /nfs/dbraw/zinc/30/87/61/323308761.db2.gz NNYLJGGFEIMDTJ-DDTOSNHZSA-N 0 3 245.370 3.057 20 0 BGADHN C[C@@H]1C[C@@H](N[C@H](C2CC2)C2CCC2)c2nccn21 ZINC000325044494 323309176 /nfs/dbraw/zinc/30/91/76/323309176.db2.gz NNYLJGGFEIMDTJ-HONMWMINSA-N 0 3 245.370 3.057 20 0 BGADHN C[C@@H]1C[C@@H](N[C@@H](C2CC2)C2CCC2)c2nccn21 ZINC000325044768 323308863 /nfs/dbraw/zinc/30/88/63/323308863.db2.gz NNYLJGGFEIMDTJ-LERXQTSPSA-N 0 3 245.370 3.057 20 0 BGADHN C[C@@H]1C[C@H](N[C@H](C2CC2)C2CCC2)c2nccn21 ZINC000325044769 323309103 /nfs/dbraw/zinc/30/91/03/323309103.db2.gz NNYLJGGFEIMDTJ-SWHYSGLUSA-N 0 3 245.370 3.057 20 0 BGADHN CC[C@@H](NCc1nc(C)c(C)s1)C1CCC1 ZINC000325106635 386729845 /nfs/dbraw/zinc/72/98/45/386729845.db2.gz WZULGPKIADELTQ-GFCCVEGCSA-N 0 3 238.400 3.428 20 0 BGADHN CC[C@H](NCc1nc(C)c(C)s1)C1CCC1 ZINC000325106637 386729566 /nfs/dbraw/zinc/72/95/66/386729566.db2.gz WZULGPKIADELTQ-LBPRGKRZSA-N 0 3 238.400 3.428 20 0 BGADHN c1coc(CN[C@@H]2CCCC23CCCC3)c1 ZINC000328124184 387909203 /nfs/dbraw/zinc/90/92/03/387909203.db2.gz SHGWRXRQGLEHEQ-CYBMUJFWSA-N 0 3 219.328 3.482 20 0 BGADHN c1coc(CN[C@H]2CCCC23CCCC3)c1 ZINC000328124185 387908602 /nfs/dbraw/zinc/90/86/02/387908602.db2.gz SHGWRXRQGLEHEQ-ZDUSSCGKSA-N 0 3 219.328 3.482 20 0 BGADHN Cc1noc(C)c1CN[C@H]1CCCC12CCCC2 ZINC000328154348 388557689 /nfs/dbraw/zinc/55/76/89/388557689.db2.gz GGAWPYXFUOBDOI-AWEZNQCLSA-N 0 3 248.370 3.494 20 0 BGADHN Cc1noc(C)c1CN[C@@H]1CCCC12CCCC2 ZINC000328154351 388557211 /nfs/dbraw/zinc/55/72/11/388557211.db2.gz GGAWPYXFUOBDOI-CQSZACIVSA-N 0 3 248.370 3.494 20 0 BGADHN Cc1ccc([O-])c(C[NH2+]CCC(C)(C)C2CC2)n1 ZINC000328284961 388590138 /nfs/dbraw/zinc/59/01/38/388590138.db2.gz CPNOOFKQXXEDRB-UHFFFAOYSA-N 0 3 248.370 3.012 20 0 BGADHN CC(C)(CCNCc1ccco1)C1CC1 ZINC000328419370 188255259 /nfs/dbraw/zinc/25/52/59/188255259.db2.gz JHMPTTONQZHXOG-UHFFFAOYSA-N 0 3 207.317 3.196 20 0 BGADHN Cc1nc(CNCCC(C)(C)C2CC2)cs1 ZINC000328561070 388645039 /nfs/dbraw/zinc/64/50/39/388645039.db2.gz GEPXZRNXTAGKKL-UHFFFAOYSA-N 0 3 238.400 3.367 20 0 BGADHN C[C@@H]1CCC[C@@H]1N[C@@H](C(N)=O)c1ccccc1 ZINC000330412307 176131698 /nfs/dbraw/zinc/13/16/98/176131698.db2.gz ZHQRUDGHLHVOBM-KGYLQXTDSA-N 0 3 232.327 3.041 20 0 BGADHN C[C@@H]1CCC[C@H]1N[C@@H](C(N)=O)c1ccccc1 ZINC000330412308 176150496 /nfs/dbraw/zinc/15/04/96/176150496.db2.gz ZHQRUDGHLHVOBM-RAIGVLPGSA-N 0 3 232.327 3.041 20 0 BGADHN CC(C)(C)c1ccc(C(C)(C)NCC(N)=O)cc1 ZINC000330707400 386860613 /nfs/dbraw/zinc/86/06/13/386860613.db2.gz PUWGGISGFROFBE-UHFFFAOYSA-N 0 3 248.370 3.344 20 0 BGADHN Cc1nc(CN2CCC[C@@H]3CCCC[C@H]32)oc1C ZINC000334146141 386746248 /nfs/dbraw/zinc/74/62/48/386746248.db2.gz OQTFIWLTKDXWNB-UONOGXRCSA-N 0 3 248.370 3.446 20 0 BGADHN Cc1nc(CN2CCC[C@H]3CCCC[C@H]32)oc1C ZINC000334146143 386747001 /nfs/dbraw/zinc/74/70/01/386747001.db2.gz OQTFIWLTKDXWNB-ZIAGYGMSSA-N 0 3 248.370 3.446 20 0 BGADHN Cc1noc(C)c1CN1CCC(C)(C2CC2)CC1 ZINC000334146424 385043602 /nfs/dbraw/zinc/04/36/02/385043602.db2.gz BYVLYGVVDPVYJI-UHFFFAOYSA-N 0 3 248.370 3.304 20 0 BGADHN c1[nH]nc2c1CCC[C@H]2N[C@@H]1CCC12CCCC2 ZINC000334146986 183320769 /nfs/dbraw/zinc/32/07/69/183320769.db2.gz RYANNYWPMOESFS-CHWSQXEVSA-N 0 3 245.370 3.100 20 0 BGADHN c1[nH]nc2c1CCC[C@H]2N[C@H]1CCC12CCCC2 ZINC000334146989 183320220 /nfs/dbraw/zinc/32/02/20/183320220.db2.gz RYANNYWPMOESFS-OLZOCXBDSA-N 0 3 245.370 3.100 20 0 BGADHN c1[nH]nc2c1CCC[C@@H]2N[C@@H]1CCC12CCCC2 ZINC000334146990 183320100 /nfs/dbraw/zinc/32/01/00/183320100.db2.gz RYANNYWPMOESFS-QWHCGFSZSA-N 0 3 245.370 3.100 20 0 BGADHN c1[nH]nc2c1CCC[C@@H]2N[C@H]1CCC12CCCC2 ZINC000334146991 183319731 /nfs/dbraw/zinc/31/97/31/183319731.db2.gz RYANNYWPMOESFS-STQMWFEESA-N 0 3 245.370 3.100 20 0 BGADHN Cc1noc(C)c1CN1CCCCC[C@@H]1C ZINC000334151451 386750070 /nfs/dbraw/zinc/75/00/70/386750070.db2.gz QWZLMPZBWTUFBJ-JTQLQIEISA-N 0 3 222.332 3.056 20 0 BGADHN Cc1noc(C)c1CN1CCCCC[C@H]1C ZINC000334151452 386748665 /nfs/dbraw/zinc/74/86/65/386748665.db2.gz QWZLMPZBWTUFBJ-SNVBAGLBSA-N 0 3 222.332 3.056 20 0 BGADHN C[C@@H](N[C@@H]1CCCc2n[nH]cc21)c1ccccc1 ZINC000334153272 634453187 /nfs/dbraw/zinc/45/31/87/634453187.db2.gz NXKUFBQKNYVXOP-BXUZGUMPSA-N 0 3 241.338 3.138 20 0 BGADHN C[C@@H](N[C@H]1CCCc2n[nH]cc21)c1ccccc1 ZINC000334153273 634452877 /nfs/dbraw/zinc/45/28/77/634452877.db2.gz NXKUFBQKNYVXOP-RISCZKNCSA-N 0 3 241.338 3.138 20 0 BGADHN Cc1c[nH]nc1CN1CCC[C@@]2(CC=CCC2)C1 ZINC000334154274 386752014 /nfs/dbraw/zinc/75/20/14/386752014.db2.gz QXNFJNQOKHGMIC-HNNXBMFYSA-N 0 3 245.370 3.040 20 0 BGADHN Cc1c[nH]nc1CN1CCC[C@]2(CC=CCC2)C1 ZINC000334154275 386752990 /nfs/dbraw/zinc/75/29/90/386752990.db2.gz QXNFJNQOKHGMIC-OAHLLOKOSA-N 0 3 245.370 3.040 20 0 BGADHN Cc1cccc(NC(=O)C(C)C(F)(F)F)c1F ZINC000334173408 352758077 /nfs/dbraw/zinc/75/80/77/352758077.db2.gz BCXMIXINAGGGIJ-SSDOTTSWSA-N 0 3 249.207 3.271 20 0 BGADHN Cc1cccc(NC(=O)C(C)C(F)(F)F)c1F ZINC000334173409 352757928 /nfs/dbraw/zinc/75/79/28/352757928.db2.gz BCXMIXINAGGGIJ-ZETCQYMHSA-N 0 3 249.207 3.271 20 0 BGADHN C[C@H](N[C@H]1CCC12CCC2)c1ccncc1F ZINC000334178628 385517264 /nfs/dbraw/zinc/51/72/64/385517264.db2.gz DEJZIIMVMYDBJI-GWCFXTLKSA-N 0 3 234.318 3.204 20 0 BGADHN C[C@H](N[C@@H]1CCC12CCC2)c1ccncc1F ZINC000334178643 352765398 /nfs/dbraw/zinc/76/53/98/352765398.db2.gz DEJZIIMVMYDBJI-GXFFZTMASA-N 0 3 234.318 3.204 20 0 BGADHN C[C@@H](N[C@H]1CCC12CCC2)c1ccncc1F ZINC000334178644 352765326 /nfs/dbraw/zinc/76/53/26/352765326.db2.gz DEJZIIMVMYDBJI-MFKMUULPSA-N 0 3 234.318 3.204 20 0 BGADHN C[C@@H](N[C@@H]1CCC12CCC2)c1ccncc1F ZINC000334178653 352765525 /nfs/dbraw/zinc/76/55/25/352765525.db2.gz DEJZIIMVMYDBJI-ZWNOBZJWSA-N 0 3 234.318 3.204 20 0 BGADHN c1csc(CN2CCC[C@@H]2C2CCCC2)n1 ZINC000334180934 352768944 /nfs/dbraw/zinc/76/89/44/352768944.db2.gz DRVLRRIGHKNGME-GFCCVEGCSA-N 0 3 236.384 3.298 20 0 BGADHN c1csc(CN2CCC[C@H]2C2CCCC2)n1 ZINC000334180950 352769120 /nfs/dbraw/zinc/76/91/20/352769120.db2.gz DRVLRRIGHKNGME-LBPRGKRZSA-N 0 3 236.384 3.298 20 0 BGADHN CN1CCC(Nc2cccc3ccsc32)CC1 ZINC000334181369 384378788 /nfs/dbraw/zinc/37/87/88/384378788.db2.gz ANSFUPDIGJPWQH-UHFFFAOYSA-N 0 3 246.379 3.407 20 0 BGADHN C[C@@H](C(N)=O)N1C[C@@H](c2ccccc2)C(C)(C)C1 ZINC000334181541 491071383 /nfs/dbraw/zinc/07/13/83/491071383.db2.gz BKGFOKFDVIXYGC-AAEUAGOBSA-N 0 3 246.354 3.036 20 0 BGADHN C[C@H](C(N)=O)N1C[C@@H](c2ccccc2)C(C)(C)C1 ZINC000334181546 491071368 /nfs/dbraw/zinc/07/13/68/491071368.db2.gz BKGFOKFDVIXYGC-YPMHNXCESA-N 0 3 246.354 3.036 20 0 BGADHN Cc1cnc(CN2CCCC23CCCCC3)nc1 ZINC000334182924 385517633 /nfs/dbraw/zinc/51/76/33/385517633.db2.gz FIZVWPBMTMFRSA-UHFFFAOYSA-N 0 3 245.370 3.084 20 0 BGADHN c1cc(CN[C@@H]2CCCCC23CCCC3)no1 ZINC000334185119 183352156 /nfs/dbraw/zinc/35/21/56/183352156.db2.gz DOVMVZGPWVDYGM-CYBMUJFWSA-N 0 3 234.343 3.267 20 0 BGADHN c1cc(CN[C@H]2CCCCC23CCCC3)no1 ZINC000334185120 183353912 /nfs/dbraw/zinc/35/39/12/183353912.db2.gz DOVMVZGPWVDYGM-ZDUSSCGKSA-N 0 3 234.343 3.267 20 0 BGADHN CC1(C)CC[C@@H]1N[C@H]1COCc2ccccc21 ZINC000334186029 346439623 /nfs/dbraw/zinc/43/96/23/346439623.db2.gz FHXSIOKKILAJGT-KBPBESRZSA-N 0 3 231.339 3.036 20 0 BGADHN CC1(C)CC[C@@H]1N[C@@H]1COCc2ccccc21 ZINC000334186031 346439265 /nfs/dbraw/zinc/43/92/65/346439265.db2.gz FHXSIOKKILAJGT-KGLIPLIRSA-N 0 3 231.339 3.036 20 0 BGADHN CC1(C)CC[C@H]1N[C@H]1COCc2ccccc21 ZINC000334186033 346439354 /nfs/dbraw/zinc/43/93/54/346439354.db2.gz FHXSIOKKILAJGT-UONOGXRCSA-N 0 3 231.339 3.036 20 0 BGADHN CC1(C)CC[C@H]1N[C@@H]1COCc2ccccc21 ZINC000334186036 187229692 /nfs/dbraw/zinc/22/96/92/187229692.db2.gz FHXSIOKKILAJGT-ZIAGYGMSSA-N 0 3 231.339 3.036 20 0 BGADHN C[C@@H]1c2ccccc2CN1CCc1cccnc1 ZINC000334188057 352777948 /nfs/dbraw/zinc/77/79/48/352777948.db2.gz HAUMOENBFIKWLT-CYBMUJFWSA-N 0 3 238.334 3.201 20 0 BGADHN C[C@H]1c2ccccc2CN1CCc1cccnc1 ZINC000334188060 352777886 /nfs/dbraw/zinc/77/78/86/352777886.db2.gz HAUMOENBFIKWLT-ZDUSSCGKSA-N 0 3 238.334 3.201 20 0 BGADHN Cc1cnc(CN2CCCC23CCCCC3)o1 ZINC000334188404 385516294 /nfs/dbraw/zinc/51/62/94/385516294.db2.gz HHBBRDSTJPKPAC-UHFFFAOYSA-N 0 3 234.343 3.282 20 0 BGADHN CCc1nc(C)c(CN2CCC[C@@H](C)CC2)o1 ZINC000334188669 352778828 /nfs/dbraw/zinc/77/88/28/352778828.db2.gz GTGAAOIWINKXMG-LLVKDONJSA-N 0 3 236.359 3.167 20 0 BGADHN CCc1nc(C)c(CN2CCC[C@H](C)CC2)o1 ZINC000334188674 352779111 /nfs/dbraw/zinc/77/91/11/352779111.db2.gz GTGAAOIWINKXMG-NSHDSACASA-N 0 3 236.359 3.167 20 0 BGADHN Cc1nc([C@H]2CCCN2CC2CCC2)cs1 ZINC000334195105 352787870 /nfs/dbraw/zinc/78/78/70/352787870.db2.gz VTDVUJIAKXMDBY-CYBMUJFWSA-N 0 3 236.384 3.389 20 0 BGADHN Cc1nocc1CN1CCC[C@@]2(CC=CCC2)C1 ZINC000334198629 352790488 /nfs/dbraw/zinc/79/04/88/352790488.db2.gz MXYSIHPMIBPWQM-HNNXBMFYSA-N 0 3 246.354 3.305 20 0 BGADHN Cc1nocc1CN1CCC[C@]2(CC=CCC2)C1 ZINC000334198630 352790813 /nfs/dbraw/zinc/79/08/13/352790813.db2.gz MXYSIHPMIBPWQM-OAHLLOKOSA-N 0 3 246.354 3.305 20 0 BGADHN c1ccc2ncc(CN3CCC34CCC4)cc2c1 ZINC000334203675 352797651 /nfs/dbraw/zinc/79/76/51/352797651.db2.gz UNGYCJQWBWGVGX-UHFFFAOYSA-N 0 3 238.334 3.363 20 0 BGADHN Cc1ncsc1CN1CC(C)(C)[C@H]1C1CC1 ZINC000334208113 352804338 /nfs/dbraw/zinc/80/43/38/352804338.db2.gz LVMOFPUNXYLLNH-GFCCVEGCSA-N 0 3 236.384 3.072 20 0 BGADHN Cc1ncsc1CN1CC(C)(C)[C@@H]1C1CC1 ZINC000334208114 352804515 /nfs/dbraw/zinc/80/45/15/352804515.db2.gz LVMOFPUNXYLLNH-LBPRGKRZSA-N 0 3 236.384 3.072 20 0 BGADHN CCc1nocc1CN1CC2(CCC2)C[C@H]1C ZINC000334209394 352805936 /nfs/dbraw/zinc/80/59/36/352805936.db2.gz DDPFKALTSZPYOF-LLVKDONJSA-N 0 3 234.343 3.002 20 0 BGADHN CCc1nocc1CN1CC2(CCC2)C[C@@H]1C ZINC000334209396 352806036 /nfs/dbraw/zinc/80/60/36/352806036.db2.gz DDPFKALTSZPYOF-NSHDSACASA-N 0 3 234.343 3.002 20 0 BGADHN Cc1cncc([C@H](C)N[C@@H]2CC23CCCC3)c1 ZINC000334213387 352811754 /nfs/dbraw/zinc/81/17/54/352811754.db2.gz SDWFJZDVUAZRKU-GXTWGEPZSA-N 0 3 230.355 3.373 20 0 BGADHN Cc1cncc([C@H](C)N[C@H]2CC23CCCC3)c1 ZINC000334213390 352811952 /nfs/dbraw/zinc/81/19/52/352811952.db2.gz SDWFJZDVUAZRKU-JSGCOSHPSA-N 0 3 230.355 3.373 20 0 BGADHN Cc1cncc([C@@H](C)N[C@H]2CC23CCCC3)c1 ZINC000334213395 352811712 /nfs/dbraw/zinc/81/17/12/352811712.db2.gz SDWFJZDVUAZRKU-OCCSQVGLSA-N 0 3 230.355 3.373 20 0 BGADHN Cc1cncc([C@@H](C)N[C@@H]2CC23CCCC3)c1 ZINC000334213403 352811878 /nfs/dbraw/zinc/81/18/78/352811878.db2.gz SDWFJZDVUAZRKU-TZMCWYRMSA-N 0 3 230.355 3.373 20 0 BGADHN c1ccc2oc(CN3CCCC34CCC4)nc2c1 ZINC000334216314 352816105 /nfs/dbraw/zinc/81/61/05/352816105.db2.gz UZKMBLIPLBNGKR-UHFFFAOYSA-N 0 3 242.322 3.346 20 0 BGADHN C([C@H]1CCC2(CCCC2)O1)N1CCC12CCC2 ZINC000334217571 352818910 /nfs/dbraw/zinc/81/89/10/352818910.db2.gz WXEQLAAEVBLHEN-CYBMUJFWSA-N 0 3 235.371 3.107 20 0 BGADHN C([C@@H]1CCC2(CCCC2)O1)N1CCC12CCC2 ZINC000334217574 352818886 /nfs/dbraw/zinc/81/88/86/352818886.db2.gz WXEQLAAEVBLHEN-ZDUSSCGKSA-N 0 3 235.371 3.107 20 0 BGADHN Cc1nc(CNC2CCC3(CC3)CC2)cs1 ZINC000334228197 384400644 /nfs/dbraw/zinc/40/06/44/384400644.db2.gz OAILLNPDODMKSR-UHFFFAOYSA-N 0 3 236.384 3.264 20 0 BGADHN Cc1nn(C(C)(C)C)c(C)c1CN1CCC[C@H]1C ZINC000334232764 352850811 /nfs/dbraw/zinc/85/08/11/352850811.db2.gz NIPMPAISRRFYLJ-LLVKDONJSA-N 0 3 249.402 3.239 20 0 BGADHN Cc1nn(C(C)(C)C)c(C)c1CN1CCC[C@@H]1C ZINC000334232765 352850978 /nfs/dbraw/zinc/85/09/78/352850978.db2.gz NIPMPAISRRFYLJ-NSHDSACASA-N 0 3 249.402 3.239 20 0 BGADHN c1sc2ccccc2c1CN1CCCOCC1 ZINC000334234251 343841860 /nfs/dbraw/zinc/84/18/60/343841860.db2.gz ZFNTYLZYFNZHIC-UHFFFAOYSA-N 0 3 247.363 3.124 20 0 BGADHN C[C@H]1C[C@H](NCC2CCCCC2)c2nccn21 ZINC000334235182 135398915 /nfs/dbraw/zinc/39/89/15/135398915.db2.gz BBSHCSCBZPSGMO-AAEUAGOBSA-N 0 3 233.359 3.059 20 0 BGADHN C[C@@H]1C[C@@H](NCC2CCCCC2)c2nccn21 ZINC000334235186 135398644 /nfs/dbraw/zinc/39/86/44/135398644.db2.gz BBSHCSCBZPSGMO-DGCLKSJQSA-N 0 3 233.359 3.059 20 0 BGADHN C[C@H]1C[C@@H](NCC2CCCCC2)c2nccn21 ZINC000334235190 135398669 /nfs/dbraw/zinc/39/86/69/135398669.db2.gz BBSHCSCBZPSGMO-WCQYABFASA-N 0 3 233.359 3.059 20 0 BGADHN C[C@@H]1C[C@H](NCC2CCCCC2)c2nccn21 ZINC000334235194 135398803 /nfs/dbraw/zinc/39/88/03/135398803.db2.gz BBSHCSCBZPSGMO-YPMHNXCESA-N 0 3 233.359 3.059 20 0 BGADHN CC[C@@H]1CC[C@@H](C)N1Cc1nc(C)c(C)o1 ZINC000334240141 352827858 /nfs/dbraw/zinc/82/78/58/352827858.db2.gz OEZFHJZZCDESLK-BXKDBHETSA-N 0 3 222.332 3.054 20 0 BGADHN CC[C@H]1CC[C@H](C)N1Cc1nc(C)c(C)o1 ZINC000334240144 352827777 /nfs/dbraw/zinc/82/77/77/352827777.db2.gz OEZFHJZZCDESLK-CABZTGNLSA-N 0 3 222.332 3.054 20 0 BGADHN CC[C@@H]1CC[C@H](C)N1Cc1nc(C)c(C)o1 ZINC000334240145 352827671 /nfs/dbraw/zinc/82/76/71/352827671.db2.gz OEZFHJZZCDESLK-JOYOIKCWSA-N 0 3 222.332 3.054 20 0 BGADHN CC[C@H]1CC[C@@H](C)N1Cc1nc(C)c(C)o1 ZINC000334240146 352828074 /nfs/dbraw/zinc/82/80/74/352828074.db2.gz OEZFHJZZCDESLK-SKDRFNHKSA-N 0 3 222.332 3.054 20 0 BGADHN c1nc(CN2C[C@@H]3CCCC[C@@H]3C2)oc1C1CC1 ZINC000334242335 352830476 /nfs/dbraw/zinc/83/04/76/352830476.db2.gz QKDPLBUELUJFCB-BETUJISGSA-N 0 3 246.354 3.174 20 0 BGADHN c1nc(CN2C[C@H]3CCCC[C@@H]3C2)oc1C1CC1 ZINC000334242336 352830382 /nfs/dbraw/zinc/83/03/82/352830382.db2.gz QKDPLBUELUJFCB-CHWSQXEVSA-N 0 3 246.354 3.174 20 0 BGADHN c1nc(CN2C[C@@H]3CCCC[C@H]3C2)oc1C1CC1 ZINC000334242337 352830424 /nfs/dbraw/zinc/83/04/24/352830424.db2.gz QKDPLBUELUJFCB-STQMWFEESA-N 0 3 246.354 3.174 20 0 BGADHN F[C@@H]1CCC[C@@H]1NCc1cccc2cccnc21 ZINC000334243130 352830957 /nfs/dbraw/zinc/83/09/57/352830957.db2.gz YAKXVPAZDAMWAO-KGLIPLIRSA-N 0 3 244.313 3.215 20 0 BGADHN Cc1ccc(NC2CCN(C3CC3)CC2)cc1 ZINC000334245081 384412269 /nfs/dbraw/zinc/41/22/69/384412269.db2.gz DRMKZRHEERXNHL-UHFFFAOYSA-N 0 3 230.355 3.034 20 0 BGADHN c1c[nH]c([C@H]2CCCN2CC2CCCCC2)n1 ZINC000334247777 352839607 /nfs/dbraw/zinc/83/96/07/352839607.db2.gz MZZCUJLDQVOJJJ-CYBMUJFWSA-N 0 3 233.359 3.127 20 0 BGADHN c1c[nH]c([C@@H]2CCCN2CC2CCCCC2)n1 ZINC000334247778 352839867 /nfs/dbraw/zinc/83/98/67/352839867.db2.gz MZZCUJLDQVOJJJ-ZDUSSCGKSA-N 0 3 233.359 3.127 20 0 BGADHN C[C@@H]1C[C@@H](NCC2CCC(C)CC2)c2nccn21 ZINC000334250753 168156222 /nfs/dbraw/zinc/15/62/22/168156222.db2.gz AOJPKKLXVZADRK-FKZOYECMSA-N 0 3 247.386 3.305 20 0 BGADHN C[C@H]1C[C@@H](NCC2CCC(C)CC2)c2nccn21 ZINC000334250762 168156758 /nfs/dbraw/zinc/15/67/58/168156758.db2.gz AOJPKKLXVZADRK-GNRIBBGQSA-N 0 3 247.386 3.305 20 0 BGADHN C[C@@H]1C[C@H](NCC2CCC(C)CC2)c2nccn21 ZINC000334250766 168156253 /nfs/dbraw/zinc/15/62/53/168156253.db2.gz AOJPKKLXVZADRK-HHTDUIENSA-N 0 3 247.386 3.305 20 0 BGADHN C[C@H]1C[C@H](NCC2CCC(C)CC2)c2nccn21 ZINC000334250772 168157224 /nfs/dbraw/zinc/15/72/24/168157224.db2.gz AOJPKKLXVZADRK-YIOUJQMASA-N 0 3 247.386 3.305 20 0 BGADHN C[C@H]1C[C@H](C)N1Cc1cnc2ccccc2c1 ZINC000334258354 352869914 /nfs/dbraw/zinc/86/99/14/352869914.db2.gz RSFRQENLBHWIQA-RYUDHWBXSA-N 0 3 226.323 3.218 20 0 BGADHN C[C@@H]1C[C@H](C)N1Cc1cnc2ccccc2c1 ZINC000334258355 352869968 /nfs/dbraw/zinc/86/99/68/352869968.db2.gz RSFRQENLBHWIQA-TXEJJXNPSA-N 0 3 226.323 3.218 20 0 BGADHN C[C@@H]1C[C@@H](C)N1Cc1cnc2ccccc2c1 ZINC000334258356 352869616 /nfs/dbraw/zinc/86/96/16/352869616.db2.gz RSFRQENLBHWIQA-VXGBXAGGSA-N 0 3 226.323 3.218 20 0 BGADHN Cc1cnc(CNC2CCC3(CC3)CC2)s1 ZINC000334272534 397770890 /nfs/dbraw/zinc/77/08/90/397770890.db2.gz XKHQWJQGJXMQLM-UHFFFAOYSA-N 0 3 236.384 3.264 20 0 BGADHN Cc1nc(CN2CC[C@@H](C(C)(C)C)C2)oc1C ZINC000334273385 135331957 /nfs/dbraw/zinc/33/19/57/135331957.db2.gz ZAGSUSNQFYKDJR-GFCCVEGCSA-N 0 3 236.359 3.159 20 0 BGADHN Cc1nc(CN2CC[C@H](C(C)(C)C)C2)oc1C ZINC000334273387 135331667 /nfs/dbraw/zinc/33/16/67/135331667.db2.gz ZAGSUSNQFYKDJR-LBPRGKRZSA-N 0 3 236.359 3.159 20 0 BGADHN C[C@@H]1CCCCCN1Cc1cccc(C(N)=O)c1 ZINC000334278711 352912837 /nfs/dbraw/zinc/91/28/37/352912837.db2.gz UMJTUUPLGNOMEO-GFCCVEGCSA-N 0 3 246.354 3.334 20 0 BGADHN C[C@H]1CCCCCN1Cc1cccc(C(N)=O)c1 ZINC000334278714 352912871 /nfs/dbraw/zinc/91/28/71/352912871.db2.gz UMJTUUPLGNOMEO-LBPRGKRZSA-N 0 3 246.354 3.334 20 0 BGADHN C[C@]1(NCc2cc[nH]c2)CCCc2ccccc21 ZINC000334279525 352914163 /nfs/dbraw/zinc/91/41/63/352914163.db2.gz QFVRHQIHXCFGLF-INIZCTEOSA-N 0 3 240.350 3.356 20 0 BGADHN C[C@@]1(NCc2cc[nH]c2)CCCc2ccccc21 ZINC000334279526 352914073 /nfs/dbraw/zinc/91/40/73/352914073.db2.gz QFVRHQIHXCFGLF-MRXNPFEDSA-N 0 3 240.350 3.356 20 0 BGADHN C[C@@H]1C[C@H](NC2CCC(C)CC2)c2nccn21 ZINC000334281731 168165698 /nfs/dbraw/zinc/16/56/98/168165698.db2.gz HRLATCBMIPCFDU-KPFVRQRISA-N 0 3 233.359 3.057 20 0 BGADHN C[C@H]1C[C@H](NC2CCC(C)CC2)c2nccn21 ZINC000334281734 168165284 /nfs/dbraw/zinc/16/52/84/168165284.db2.gz HRLATCBMIPCFDU-MVKMKZAISA-N 0 3 233.359 3.057 20 0 BGADHN C[C@@H]1C[C@@H](NC2CCC(C)CC2)c2nccn21 ZINC000334281736 168165104 /nfs/dbraw/zinc/16/51/04/168165104.db2.gz HRLATCBMIPCFDU-POOIEITISA-N 0 3 233.359 3.057 20 0 BGADHN C[C@H]1C[C@@H](NC2CCC(C)CC2)c2nccn21 ZINC000334281737 168165125 /nfs/dbraw/zinc/16/51/25/168165125.db2.gz HRLATCBMIPCFDU-PYNQCMFNSA-N 0 3 233.359 3.057 20 0 BGADHN C[C@H]1C[C@H](NC2CCCCCC2)c2nccn21 ZINC000334283991 135339588 /nfs/dbraw/zinc/33/95/88/135339588.db2.gz JPUCJUJNYMMGNB-AAEUAGOBSA-N 0 3 233.359 3.201 20 0 BGADHN C[C@@H]1C[C@@H](NC2CCCCCC2)c2nccn21 ZINC000334283994 135398833 /nfs/dbraw/zinc/39/88/33/135398833.db2.gz JPUCJUJNYMMGNB-DGCLKSJQSA-N 0 3 233.359 3.201 20 0 BGADHN C[C@H]1C[C@@H](NC2CCCCCC2)c2nccn21 ZINC000334283998 135398943 /nfs/dbraw/zinc/39/89/43/135398943.db2.gz JPUCJUJNYMMGNB-WCQYABFASA-N 0 3 233.359 3.201 20 0 BGADHN C[C@@H]1C[C@H](NC2CCCCCC2)c2nccn21 ZINC000334284006 135399050 /nfs/dbraw/zinc/39/90/50/135399050.db2.gz JPUCJUJNYMMGNB-YPMHNXCESA-N 0 3 233.359 3.201 20 0 BGADHN C[C@@H]1C[C@H](NCC2(C)CCCC2)c2nccn21 ZINC000334295563 397771459 /nfs/dbraw/zinc/77/14/59/397771459.db2.gz WXHJQFNDLXWAHE-NEPJUHHUSA-N 0 3 233.359 3.059 20 0 BGADHN C[C@H]1C[C@@H](NCC2(C)CCCC2)c2nccn21 ZINC000334295564 177331328 /nfs/dbraw/zinc/33/13/28/177331328.db2.gz WXHJQFNDLXWAHE-NWDGAFQWSA-N 0 3 233.359 3.059 20 0 BGADHN C[C@H]1C[C@H](NCC2(C)CCCC2)c2nccn21 ZINC000334295565 177368767 /nfs/dbraw/zinc/36/87/67/177368767.db2.gz WXHJQFNDLXWAHE-RYUDHWBXSA-N 0 3 233.359 3.059 20 0 BGADHN C[C@@H]1C[C@@H](NCC2(C)CCCC2)c2nccn21 ZINC000334295566 176375556 /nfs/dbraw/zinc/37/55/56/176375556.db2.gz WXHJQFNDLXWAHE-VXGBXAGGSA-N 0 3 233.359 3.059 20 0 BGADHN Cc1ccc2c(c1)CC[C@@H]2NCc1cccn1C ZINC000334299586 490335012 /nfs/dbraw/zinc/33/50/12/490335012.db2.gz REURYRURUNXKMM-INIZCTEOSA-N 0 3 240.350 3.111 20 0 BGADHN Cc1ccc2c(c1)CC[C@H]2NCc1cccn1C ZINC000334299587 490334742 /nfs/dbraw/zinc/33/47/42/490334742.db2.gz REURYRURUNXKMM-MRXNPFEDSA-N 0 3 240.350 3.111 20 0 BGADHN Cc1nocc1CN[C@H]1CCC[C@H](C)CC1 ZINC000334304083 135399590 /nfs/dbraw/zinc/39/95/90/135399590.db2.gz FVZCRCOSKRASMI-GWCFXTLKSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1nocc1CN[C@@H]1CCC[C@H](C)CC1 ZINC000334304084 135399948 /nfs/dbraw/zinc/39/99/48/135399948.db2.gz FVZCRCOSKRASMI-GXFFZTMASA-N 0 3 222.332 3.041 20 0 BGADHN Cc1nocc1CN[C@H]1CCC[C@@H](C)CC1 ZINC000334304087 135399549 /nfs/dbraw/zinc/39/95/49/135399549.db2.gz FVZCRCOSKRASMI-MFKMUULPSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1nocc1CN[C@@H]1CCC[C@@H](C)CC1 ZINC000334304089 135399382 /nfs/dbraw/zinc/39/93/82/135399382.db2.gz FVZCRCOSKRASMI-ZWNOBZJWSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1nc(CN[C@@H]2CC=C(C)CC2)sc1C ZINC000334305201 135348480 /nfs/dbraw/zinc/34/84/80/135348480.db2.gz GFXNGIQVBOLXQZ-GFCCVEGCSA-N 0 3 236.384 3.348 20 0 BGADHN Cc1nc(CN[C@H]2CC=C(C)CC2)sc1C ZINC000334305202 135348370 /nfs/dbraw/zinc/34/83/70/135348370.db2.gz GFXNGIQVBOLXQZ-LBPRGKRZSA-N 0 3 236.384 3.348 20 0 BGADHN FC(F)C1CCN(Cc2ccsc2)CC1 ZINC000334310455 135350588 /nfs/dbraw/zinc/35/05/88/135350588.db2.gz JFWDPNYCAFAUJI-UHFFFAOYSA-N 0 3 231.311 3.225 20 0 BGADHN C[C@@H]1Cc2ccccc2[C@H]1NCc1cc[nH]c1 ZINC000334310520 135350656 /nfs/dbraw/zinc/35/06/56/135350656.db2.gz JJLQKFOUMATIOC-ABAIWWIYSA-N 0 3 226.323 3.038 20 0 BGADHN C[C@@H]1Cc2ccccc2[C@@H]1NCc1cc[nH]c1 ZINC000334310521 135350935 /nfs/dbraw/zinc/35/09/35/135350935.db2.gz JJLQKFOUMATIOC-IAQYHMDHSA-N 0 3 226.323 3.038 20 0 BGADHN C[C@H]1Cc2ccccc2[C@H]1NCc1cc[nH]c1 ZINC000334310689 135350410 /nfs/dbraw/zinc/35/04/10/135350410.db2.gz JJLQKFOUMATIOC-NHYWBVRUSA-N 0 3 226.323 3.038 20 0 BGADHN C[C@H]1Cc2ccccc2[C@@H]1NCc1cc[nH]c1 ZINC000334310690 135350831 /nfs/dbraw/zinc/35/08/31/135350831.db2.gz JJLQKFOUMATIOC-XHDPSFHLSA-N 0 3 226.323 3.038 20 0 BGADHN F[C@@H]1CCC[C@@H]1NCc1cccc2[nH]ccc21 ZINC000334314815 352945298 /nfs/dbraw/zinc/94/52/98/352945298.db2.gz MQWCCJOLFFIPMC-OCCSQVGLSA-N 0 3 232.302 3.148 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H]2CCCc3cn[nH]c32)o1 ZINC000334316453 136225213 /nfs/dbraw/zinc/22/52/13/136225213.db2.gz PADBWIJJSWFNCI-CMPLNLGQSA-N 0 3 245.326 3.039 20 0 BGADHN Cc1ccc([C@H](C)N[C@H]2CCCc3cn[nH]c32)o1 ZINC000334316456 136225333 /nfs/dbraw/zinc/22/53/33/136225333.db2.gz PADBWIJJSWFNCI-JQWIXIFHSA-N 0 3 245.326 3.039 20 0 BGADHN Cc1ccc([C@@H](C)N[C@H]2CCCc3cn[nH]c32)o1 ZINC000334316457 136225390 /nfs/dbraw/zinc/22/53/90/136225390.db2.gz PADBWIJJSWFNCI-PWSUYJOCSA-N 0 3 245.326 3.039 20 0 BGADHN Cc1ccc([C@@H](C)N[C@@H]2CCCc3cn[nH]c32)o1 ZINC000334316459 136225221 /nfs/dbraw/zinc/22/52/21/136225221.db2.gz PADBWIJJSWFNCI-ZYHUDNBSSA-N 0 3 245.326 3.039 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2CC3CCC2CC3)no1 ZINC000334327048 352963254 /nfs/dbraw/zinc/96/32/54/352963254.db2.gz HEHIOYZCWQYGLV-BBCYWQGDSA-N 0 3 234.343 3.212 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CC3CCC2CC3)no1 ZINC000334327053 352963387 /nfs/dbraw/zinc/96/33/87/352963387.db2.gz HEHIOYZCWQYGLV-DLOFLVKXSA-N 0 3 234.343 3.212 20 0 BGADHN Cc1cc([C@@H](C)N[C@@H]2CC3CCC2CC3)no1 ZINC000334327056 352963186 /nfs/dbraw/zinc/96/31/86/352963186.db2.gz HEHIOYZCWQYGLV-MLCFOIATSA-N 0 3 234.343 3.212 20 0 BGADHN Cc1cc([C@@H](C)N[C@H]2CC3CCC2CC3)no1 ZINC000334327062 352962953 /nfs/dbraw/zinc/96/29/53/352962953.db2.gz HEHIOYZCWQYGLV-NPZBDFSRSA-N 0 3 234.343 3.212 20 0 BGADHN CC1=CC[C@H](N[C@H](C)c2ccncc2F)CC1 ZINC000334339011 352974267 /nfs/dbraw/zinc/97/42/67/352974267.db2.gz LXEOHRZTJCZLNC-NEPJUHHUSA-N 0 3 234.318 3.370 20 0 BGADHN CC1=CC[C@@H](N[C@@H](C)c2ccncc2F)CC1 ZINC000334339014 352974153 /nfs/dbraw/zinc/97/41/53/352974153.db2.gz LXEOHRZTJCZLNC-NWDGAFQWSA-N 0 3 234.318 3.370 20 0 BGADHN CC1=CC[C@H](N[C@@H](C)c2ccncc2F)CC1 ZINC000334339016 352973977 /nfs/dbraw/zinc/97/39/77/352973977.db2.gz LXEOHRZTJCZLNC-RYUDHWBXSA-N 0 3 234.318 3.370 20 0 BGADHN CC1=CC[C@@H](N[C@H](C)c2ccncc2F)CC1 ZINC000334339018 352974044 /nfs/dbraw/zinc/97/40/44/352974044.db2.gz LXEOHRZTJCZLNC-VXGBXAGGSA-N 0 3 234.318 3.370 20 0 BGADHN CC1(C)CCN(Cc2cccc(C(N)=O)c2)CC1 ZINC000334339830 352975021 /nfs/dbraw/zinc/97/50/21/352975021.db2.gz BVAWSYIYZPZPIK-UHFFFAOYSA-N 0 3 246.354 3.192 20 0 BGADHN FC(F)C1CCN(Cc2cccs2)CC1 ZINC000334340557 135363738 /nfs/dbraw/zinc/36/37/38/135363738.db2.gz NDTBKGNHDAUNGQ-UHFFFAOYSA-N 0 3 231.311 3.225 20 0 BGADHN c1c2ccccc2sc1CN1CCCOCC1 ZINC000334343720 538067363 /nfs/dbraw/zinc/06/73/63/538067363.db2.gz MRBFKUMCURXPIC-UHFFFAOYSA-N 0 3 247.363 3.124 20 0 BGADHN Cc1nocc1CNC1(C)CCC(C)CC1 ZINC000334346149 180506673 /nfs/dbraw/zinc/50/66/73/180506673.db2.gz PVXSMXJLFKJERU-UHFFFAOYSA-N 0 3 222.332 3.041 20 0 BGADHN C[C@@H]1c2ccccc2CN1CCc1ccccn1 ZINC000334347043 135367139 /nfs/dbraw/zinc/36/71/39/135367139.db2.gz WVHIIRYDNZDNIX-CYBMUJFWSA-N 0 3 238.334 3.201 20 0 BGADHN C[C@H]1c2ccccc2CN1CCc1ccccn1 ZINC000334347044 135367239 /nfs/dbraw/zinc/36/72/39/135367239.db2.gz WVHIIRYDNZDNIX-ZDUSSCGKSA-N 0 3 238.334 3.201 20 0 BGADHN Cc1ncc(CN(C)C2CCCCC2)s1 ZINC000334347875 135366727 /nfs/dbraw/zinc/36/67/27/135366727.db2.gz RXYYWYVLDZOPMZ-UHFFFAOYSA-N 0 3 224.373 3.216 20 0 BGADHN CCC1CCC(N[C@H]2C[C@H](C)n3ccnc32)CC1 ZINC000334365533 535322574 /nfs/dbraw/zinc/32/25/74/535322574.db2.gz HYOOWVUBGQZMQY-ABXWRUBCSA-N 0 3 247.386 3.447 20 0 BGADHN CCC1CCC(N[C@@H]2C[C@@H](C)n3ccnc32)CC1 ZINC000334365534 535322864 /nfs/dbraw/zinc/32/28/64/535322864.db2.gz HYOOWVUBGQZMQY-BLYZHGLHSA-N 0 3 247.386 3.447 20 0 BGADHN CCC1CCC(N[C@@H]2C[C@H](C)n3ccnc32)CC1 ZINC000334365535 535322167 /nfs/dbraw/zinc/32/21/67/535322167.db2.gz HYOOWVUBGQZMQY-GFJIZPEISA-N 0 3 247.386 3.447 20 0 BGADHN CCC1CCC(N[C@H]2C[C@@H](C)n3ccnc32)CC1 ZINC000334365536 535322651 /nfs/dbraw/zinc/32/26/51/535322651.db2.gz HYOOWVUBGQZMQY-RYSNWHEDSA-N 0 3 247.386 3.447 20 0 BGADHN C[C@@H]1C[C@@H](NCC2(C)CCCCC2)c2nccn21 ZINC000334368738 135399780 /nfs/dbraw/zinc/39/97/80/135399780.db2.gz MHULGKPYNZOQNQ-CHWSQXEVSA-N 0 3 247.386 3.449 20 0 BGADHN C[C@@H]1C[C@H](NCC2(C)CCCCC2)c2nccn21 ZINC000334368739 135399723 /nfs/dbraw/zinc/39/97/23/135399723.db2.gz MHULGKPYNZOQNQ-OLZOCXBDSA-N 0 3 247.386 3.449 20 0 BGADHN C[C@H]1C[C@@H](NCC2(C)CCCCC2)c2nccn21 ZINC000334368740 135399647 /nfs/dbraw/zinc/39/96/47/135399647.db2.gz MHULGKPYNZOQNQ-QWHCGFSZSA-N 0 3 247.386 3.449 20 0 BGADHN C[C@H]1C[C@H](NCC2(C)CCCCC2)c2nccn21 ZINC000334368741 135399507 /nfs/dbraw/zinc/39/95/07/135399507.db2.gz MHULGKPYNZOQNQ-STQMWFEESA-N 0 3 247.386 3.449 20 0 BGADHN CC1CN(Cc2cccc(-c3ccncc3)c2)C1 ZINC000334375555 353031261 /nfs/dbraw/zinc/03/12/61/353031261.db2.gz DJMFDZQFRJUCDE-UHFFFAOYSA-N 0 3 238.334 3.200 20 0 BGADHN Cc1cccc(NC(=O)C(C)C(F)(F)F)c1 ZINC000334376311 135376120 /nfs/dbraw/zinc/37/61/20/135376120.db2.gz DZPFJUBBGJFQIP-MRVPVSSYSA-N 0 3 231.217 3.132 20 0 BGADHN Cc1cccc(NC(=O)C(C)C(F)(F)F)c1 ZINC000334376312 135376655 /nfs/dbraw/zinc/37/66/55/135376655.db2.gz DZPFJUBBGJFQIP-QMMMGPOBSA-N 0 3 231.217 3.132 20 0 BGADHN Cc1ccc(NC(=O)C(C)C(F)(F)F)cc1 ZINC000334377787 135378464 /nfs/dbraw/zinc/37/84/64/135378464.db2.gz GMQJRGUJMFIARF-MRVPVSSYSA-N 0 3 231.217 3.132 20 0 BGADHN Cc1ccc(NC(=O)C(C)C(F)(F)F)cc1 ZINC000334377788 135378475 /nfs/dbraw/zinc/37/84/75/135378475.db2.gz GMQJRGUJMFIARF-QMMMGPOBSA-N 0 3 231.217 3.132 20 0 BGADHN F[C@H]1CCC[C@H]1NCc1cccc2cc[nH]c21 ZINC000334384497 353047144 /nfs/dbraw/zinc/04/71/44/353047144.db2.gz LYPNLQRXFIERHU-QWHCGFSZSA-N 0 3 232.302 3.148 20 0 BGADHN Cc1cc(CN2CCCC23CCCCC3)no1 ZINC000334385376 135382405 /nfs/dbraw/zinc/38/24/05/135382405.db2.gz MWMOQUDILYHIMM-UHFFFAOYSA-N 0 3 234.343 3.282 20 0 BGADHN C[C@H](N[C@@H]1CCCC(F)(F)C1)c1cccnc1 ZINC000334387184 135382877 /nfs/dbraw/zinc/38/28/77/135382877.db2.gz PCIVDNORZCXFFB-CMPLNLGQSA-N 0 3 240.297 3.310 20 0 BGADHN C[C@H](N[C@H]1CCCC(F)(F)C1)c1cccnc1 ZINC000334387185 135382997 /nfs/dbraw/zinc/38/29/97/135382997.db2.gz PCIVDNORZCXFFB-JQWIXIFHSA-N 0 3 240.297 3.310 20 0 BGADHN C[C@@H](N[C@H]1CCCC(F)(F)C1)c1cccnc1 ZINC000334387186 135382955 /nfs/dbraw/zinc/38/29/55/135382955.db2.gz PCIVDNORZCXFFB-PWSUYJOCSA-N 0 3 240.297 3.310 20 0 BGADHN C[C@@H](N[C@@H]1CCCC(F)(F)C1)c1cccnc1 ZINC000334387187 135383379 /nfs/dbraw/zinc/38/33/79/135383379.db2.gz PCIVDNORZCXFFB-ZYHUDNBSSA-N 0 3 240.297 3.310 20 0 BGADHN C[C@@H](N[C@@H]1CCCC(F)(F)C1)c1ccccn1 ZINC000334388978 135382659 /nfs/dbraw/zinc/38/26/59/135382659.db2.gz RFWLGCQYIOIGGJ-GHMZBOCLSA-N 0 3 240.297 3.310 20 0 BGADHN C[C@@H](N[C@H]1CCCC(F)(F)C1)c1ccccn1 ZINC000334388980 135383325 /nfs/dbraw/zinc/38/33/25/135383325.db2.gz RFWLGCQYIOIGGJ-MNOVXSKESA-N 0 3 240.297 3.310 20 0 BGADHN C[C@H](N[C@H]1CCCC(F)(F)C1)c1ccccn1 ZINC000334388982 135383384 /nfs/dbraw/zinc/38/33/84/135383384.db2.gz RFWLGCQYIOIGGJ-QWRGUYRKSA-N 0 3 240.297 3.310 20 0 BGADHN C[C@H](N[C@@H]1CCCC(F)(F)C1)c1ccccn1 ZINC000334388984 135382945 /nfs/dbraw/zinc/38/29/45/135382945.db2.gz RFWLGCQYIOIGGJ-WDEREUQCSA-N 0 3 240.297 3.310 20 0 BGADHN C[C@H](N[C@@H]1CCCC(F)(F)C1)c1ccncc1 ZINC000334389222 135382692 /nfs/dbraw/zinc/38/26/92/135382692.db2.gz RSMVIPCIHMRQTE-CMPLNLGQSA-N 0 3 240.297 3.310 20 0 BGADHN C[C@H](N[C@H]1CCCC(F)(F)C1)c1ccncc1 ZINC000334389225 135383069 /nfs/dbraw/zinc/38/30/69/135383069.db2.gz RSMVIPCIHMRQTE-JQWIXIFHSA-N 0 3 240.297 3.310 20 0 BGADHN C[C@@H](N[C@H]1CCCC(F)(F)C1)c1ccncc1 ZINC000334389226 135383337 /nfs/dbraw/zinc/38/33/37/135383337.db2.gz RSMVIPCIHMRQTE-PWSUYJOCSA-N 0 3 240.297 3.310 20 0 BGADHN C[C@@H](N[C@@H]1CCCC(F)(F)C1)c1ccncc1 ZINC000334389228 135383290 /nfs/dbraw/zinc/38/32/90/135383290.db2.gz RSMVIPCIHMRQTE-ZYHUDNBSSA-N 0 3 240.297 3.310 20 0 BGADHN C[C@H]1CCC[C@H]1NCc1nc2ccc(F)cc2o1 ZINC000334392312 353064263 /nfs/dbraw/zinc/06/42/63/353064263.db2.gz XJMFFLYSALEYDD-GXSJLCMTSA-N 0 3 248.301 3.245 20 0 BGADHN C[C@@H]1CCC[C@@H]1NCc1nc2ccc(F)cc2o1 ZINC000334392313 353064295 /nfs/dbraw/zinc/06/42/95/353064295.db2.gz XJMFFLYSALEYDD-KOLCDFICSA-N 0 3 248.301 3.245 20 0 BGADHN C[C@@H]1CCC[C@H]1NCc1nc2ccc(F)cc2o1 ZINC000334392314 353064466 /nfs/dbraw/zinc/06/44/66/353064466.db2.gz XJMFFLYSALEYDD-MWLCHTKSSA-N 0 3 248.301 3.245 20 0 BGADHN C[C@H]1CCC[C@@H]1NCc1nc2ccc(F)cc2o1 ZINC000334392315 353064411 /nfs/dbraw/zinc/06/44/11/353064411.db2.gz XJMFFLYSALEYDD-ONGXEEELSA-N 0 3 248.301 3.245 20 0 BGADHN C[C@H](N[C@H]1CCC12CCC2)c1cncc(F)c1 ZINC000334394007 135385490 /nfs/dbraw/zinc/38/54/90/135385490.db2.gz AWQLCSCCURWICD-GWCFXTLKSA-N 0 3 234.318 3.204 20 0 BGADHN C[C@H](N[C@@H]1CCC12CCC2)c1cncc(F)c1 ZINC000334394010 135385559 /nfs/dbraw/zinc/38/55/59/135385559.db2.gz AWQLCSCCURWICD-GXFFZTMASA-N 0 3 234.318 3.204 20 0 BGADHN Cc1nocc1CN1CCCC2(CCCC2)C1 ZINC000334418246 353101945 /nfs/dbraw/zinc/10/19/45/353101945.db2.gz PFTZCIGRILREOM-UHFFFAOYSA-N 0 3 234.343 3.139 20 0 BGADHN Cc1nc(C(C)C)oc1CN1CCC(C)(C)C1 ZINC000334420882 386025955 /nfs/dbraw/zinc/02/59/55/386025955.db2.gz ASRGHHIRYOGIDC-UHFFFAOYSA-N 0 3 236.359 3.338 20 0 BGADHN CC1(C)CN(Cc2cncs2)[C@H]2CCC[C@H]21 ZINC000334422860 386029250 /nfs/dbraw/zinc/02/92/50/386029250.db2.gz DXBUBHNXLIZBDB-NEPJUHHUSA-N 0 3 236.384 3.154 20 0 BGADHN CC1(C)CN(Cc2cncs2)[C@@H]2CCC[C@@H]21 ZINC000334422861 386028043 /nfs/dbraw/zinc/02/80/43/386028043.db2.gz DXBUBHNXLIZBDB-NWDGAFQWSA-N 0 3 236.384 3.154 20 0 BGADHN CC1(C)CN(Cc2cncs2)[C@H]2CCC[C@@H]21 ZINC000334422863 386027846 /nfs/dbraw/zinc/02/78/46/386027846.db2.gz DXBUBHNXLIZBDB-RYUDHWBXSA-N 0 3 236.384 3.154 20 0 BGADHN CC1(C)CN(Cc2cncs2)[C@@H]2CCC[C@H]21 ZINC000334422866 386027683 /nfs/dbraw/zinc/02/76/83/386027683.db2.gz DXBUBHNXLIZBDB-VXGBXAGGSA-N 0 3 236.384 3.154 20 0 BGADHN CC[C@@H]1CCCN1Cc1nc2ccccc2o1 ZINC000334442021 386073435 /nfs/dbraw/zinc/07/34/35/386073435.db2.gz CBIFHCMJUFDESY-LLVKDONJSA-N 0 3 230.311 3.202 20 0 BGADHN CC[C@H]1CCCN1Cc1nc2ccccc2o1 ZINC000334442024 386073486 /nfs/dbraw/zinc/07/34/86/386073486.db2.gz CBIFHCMJUFDESY-NSHDSACASA-N 0 3 230.311 3.202 20 0 BGADHN Cc1ccc(NC2CCN(C3CC3)CC2)cc1F ZINC000334443947 386220365 /nfs/dbraw/zinc/22/03/65/386220365.db2.gz FTNWTPYJNUWFJB-UHFFFAOYSA-N 0 3 248.345 3.173 20 0 BGADHN c1cnc(CN[C@H]2CCCCC23CCCC3)cn1 ZINC000334444553 386263763 /nfs/dbraw/zinc/26/37/63/386263763.db2.gz GYGGQZZDPVBDHE-AWEZNQCLSA-N 0 3 245.370 3.069 20 0 BGADHN c1cnc(CN[C@@H]2CCCCC23CCCC3)cn1 ZINC000334444554 386262893 /nfs/dbraw/zinc/26/28/93/386262893.db2.gz GYGGQZZDPVBDHE-CQSZACIVSA-N 0 3 245.370 3.069 20 0 BGADHN Cc1ccnc([C@H](C)N[C@@H]2CC23CCCC3)c1 ZINC000334450520 386090370 /nfs/dbraw/zinc/09/03/70/386090370.db2.gz RVHCWSHEADRENJ-GXTWGEPZSA-N 0 3 230.355 3.373 20 0 BGADHN Cc1ccnc([C@H](C)N[C@H]2CC23CCCC3)c1 ZINC000334450523 386090056 /nfs/dbraw/zinc/09/00/56/386090056.db2.gz RVHCWSHEADRENJ-JSGCOSHPSA-N 0 3 230.355 3.373 20 0 BGADHN Cc1ccnc([C@@H](C)N[C@H]2CC23CCCC3)c1 ZINC000334450525 386088935 /nfs/dbraw/zinc/08/89/35/386088935.db2.gz RVHCWSHEADRENJ-OCCSQVGLSA-N 0 3 230.355 3.373 20 0 BGADHN Cc1ccnc([C@@H](C)N[C@@H]2CC23CCCC3)c1 ZINC000334450527 386089438 /nfs/dbraw/zinc/08/94/38/386089438.db2.gz RVHCWSHEADRENJ-TZMCWYRMSA-N 0 3 230.355 3.373 20 0 BGADHN Cc1nocc1CN1CCC[C@H]2CCCC[C@H]21 ZINC000334457587 386097739 /nfs/dbraw/zinc/09/77/39/386097739.db2.gz PKEJMYPBTHJDQZ-TZMCWYRMSA-N 0 3 234.343 3.138 20 0 BGADHN Cc1noc(C)c1CN1CC(C)(C)[C@H]1C(C)C ZINC000334459109 386099357 /nfs/dbraw/zinc/09/93/57/386099357.db2.gz LCFPGGPQQUIVSG-CYBMUJFWSA-N 0 3 236.359 3.158 20 0 BGADHN Cc1noc(C)c1CN1CC(C)(C)[C@@H]1C(C)C ZINC000334459110 386099681 /nfs/dbraw/zinc/09/96/81/386099681.db2.gz LCFPGGPQQUIVSG-ZDUSSCGKSA-N 0 3 236.359 3.158 20 0 BGADHN Cc1ccc2c(c1)CN(CC[C@@H](C)F)C2 ZINC000334461416 386117595 /nfs/dbraw/zinc/11/75/95/386117595.db2.gz OXTCGDXORHNMRL-LLVKDONJSA-N 0 3 207.292 3.059 20 0 BGADHN Cc1ccc2c(c1)CN(CC[C@H](C)F)C2 ZINC000334461417 386116316 /nfs/dbraw/zinc/11/63/16/386116316.db2.gz OXTCGDXORHNMRL-NSHDSACASA-N 0 3 207.292 3.059 20 0 BGADHN Cc1ccnc(CN2CCCC23CCCCC3)n1 ZINC000334467457 386139751 /nfs/dbraw/zinc/13/97/51/386139751.db2.gz WKOFJRPAUDFPBD-UHFFFAOYSA-N 0 3 245.370 3.084 20 0 BGADHN Cc1nn(C(C)(C)C)c(C)c1CN1CC[C@@H](C)C1 ZINC000334469563 386138882 /nfs/dbraw/zinc/13/88/82/386138882.db2.gz ZKSRGLKPSCBHEX-LLVKDONJSA-N 0 3 249.402 3.097 20 0 BGADHN Cc1nn(C(C)(C)C)c(C)c1CN1CC[C@H](C)C1 ZINC000334469564 386138836 /nfs/dbraw/zinc/13/88/36/386138836.db2.gz ZKSRGLKPSCBHEX-NSHDSACASA-N 0 3 249.402 3.097 20 0 BGADHN FC(F)C1CCN(Cc2ccccc2)CC1 ZINC000334471906 383906734 /nfs/dbraw/zinc/90/67/34/383906734.db2.gz HKIMSTSTEJJGDE-UHFFFAOYSA-N 0 3 225.282 3.164 20 0 BGADHN C[C@H](N[C@H]1CCCc2n[nH]cc21)c1ccccc1 ZINC000334475413 711717249 /nfs/dbraw/zinc/71/72/49/711717249.db2.gz NXKUFBQKNYVXOP-FZMZJTMJSA-N 0 3 241.338 3.138 20 0 BGADHN C[C@H](N[C@@H]1CCCc2n[nH]cc21)c1ccccc1 ZINC000334475414 711717283 /nfs/dbraw/zinc/71/72/83/711717283.db2.gz NXKUFBQKNYVXOP-SMDDNHRTSA-N 0 3 241.338 3.138 20 0 BGADHN Cc1cnc(CN[C@@]2(C)CCCC[C@@H]2C)o1 ZINC000334516295 353622498 /nfs/dbraw/zinc/62/24/98/353622498.db2.gz FFHPPQWOXHSREB-GWCFXTLKSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1cnc(CN[C@]2(C)CCCC[C@@H]2C)o1 ZINC000334516296 353622624 /nfs/dbraw/zinc/62/26/24/353622624.db2.gz FFHPPQWOXHSREB-GXFFZTMASA-N 0 3 222.332 3.041 20 0 BGADHN Cc1cnc(CN[C@@]2(C)CCCC[C@H]2C)o1 ZINC000334516297 353622433 /nfs/dbraw/zinc/62/24/33/353622433.db2.gz FFHPPQWOXHSREB-MFKMUULPSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1cnc(CN[C@]2(C)CCCC[C@H]2C)o1 ZINC000334516298 353622632 /nfs/dbraw/zinc/62/26/32/353622632.db2.gz FFHPPQWOXHSREB-ZWNOBZJWSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1cnccc1CN1CC(C2CCCC2)C1 ZINC000334517365 353637326 /nfs/dbraw/zinc/63/73/26/353637326.db2.gz DWNZSSAOZAUMKK-UHFFFAOYSA-N 0 3 230.355 3.012 20 0 BGADHN Cc1ncccc1CN1CC(C2CCCC2)C1 ZINC000334517946 353641161 /nfs/dbraw/zinc/64/11/61/353641161.db2.gz NBAJLTKZFGDDSE-UHFFFAOYSA-N 0 3 230.355 3.012 20 0 BGADHN Cc1ccncc1CN1CC(C2CCCC2)C1 ZINC000334518349 353654037 /nfs/dbraw/zinc/65/40/37/353654037.db2.gz PTPAZZFTJLCAEM-UHFFFAOYSA-N 0 3 230.355 3.012 20 0 BGADHN CC1(F)CC(N[C@@H]2CCCc3occc32)C1 ZINC000334518848 168053429 /nfs/dbraw/zinc/05/34/29/168053429.db2.gz BPSLTOIKCUMMKF-DMLGSKKGSA-N 0 3 223.291 3.137 20 0 BGADHN CC1(F)CC(N[C@H]2CCCc3occc32)C1 ZINC000334518849 168053844 /nfs/dbraw/zinc/05/38/44/168053844.db2.gz BPSLTOIKCUMMKF-QDYJBQRPSA-N 0 3 223.291 3.137 20 0 BGADHN Cc1ccc([C@H](C)NC2CC(C)(F)C2)o1 ZINC000334519300 353665022 /nfs/dbraw/zinc/66/50/22/353665022.db2.gz DUVOWJNNHCXJIV-BMQDGWLCSA-N 0 3 211.280 3.129 20 0 BGADHN Cc1ccc([C@@H](C)NC2CC(C)(F)C2)o1 ZINC000334519304 353664897 /nfs/dbraw/zinc/66/48/97/353664897.db2.gz DUVOWJNNHCXJIV-GRZMOONWSA-N 0 3 211.280 3.129 20 0 BGADHN Cc1ncsc1CN1CC(C2CCCC2)C1 ZINC000334519372 135637212 /nfs/dbraw/zinc/63/72/12/135637212.db2.gz ZPIAYPZBYKOTOG-UHFFFAOYSA-N 0 3 236.384 3.074 20 0 BGADHN C[C@@H](NC1CC(C)(F)C1)c1ccc(Cl)cn1 ZINC000334519477 353672068 /nfs/dbraw/zinc/67/20/68/353672068.db2.gz JKMKYMJHKWOEPG-DUACVJHASA-N 0 3 242.725 3.276 20 0 BGADHN C[C@H](NC1CC(C)(F)C1)c1ccc(Cl)cn1 ZINC000334519479 353671790 /nfs/dbraw/zinc/67/17/90/353671790.db2.gz JKMKYMJHKWOEPG-JNHNWMDNSA-N 0 3 242.725 3.276 20 0 BGADHN CC1(F)CC(N[C@H]2CCCc3ccc(O)cc32)C1 ZINC000334519579 353672004 /nfs/dbraw/zinc/67/20/04/353672004.db2.gz MFJLRBUPKBLLIJ-WPBUFGDCSA-N 0 3 249.329 3.250 20 0 BGADHN CC1(F)CC(N[C@@H]2CCCc3ccc(O)cc32)C1 ZINC000334519580 353671717 /nfs/dbraw/zinc/67/17/17/353671717.db2.gz MFJLRBUPKBLLIJ-XGTXGMFGSA-N 0 3 249.329 3.250 20 0 BGADHN CC1(F)CC(N[C@H]2CCCc3c(O)cccc32)C1 ZINC000334520181 353883425 /nfs/dbraw/zinc/88/34/25/353883425.db2.gz MVZKEVSWQGULLO-IQYSWEBNSA-N 0 3 249.329 3.250 20 0 BGADHN CC1(F)CC(N[C@@H]2CCCc3c(O)cccc32)C1 ZINC000334520182 353883935 /nfs/dbraw/zinc/88/39/35/353883935.db2.gz MVZKEVSWQGULLO-VROQLPPWSA-N 0 3 249.329 3.250 20 0 BGADHN COc1ccc2c(c1)[C@@H](NC1CC(C)(F)C1)CC2 ZINC000334520591 353884376 /nfs/dbraw/zinc/88/43/76/353884376.db2.gz MAWISFIFEKUSST-WPBUFGDCSA-N 0 3 249.329 3.163 20 0 BGADHN COc1ccc2c(c1)[C@H](NC1CC(C)(F)C1)CC2 ZINC000334520593 353884702 /nfs/dbraw/zinc/88/47/02/353884702.db2.gz MAWISFIFEKUSST-XGTXGMFGSA-N 0 3 249.329 3.163 20 0 BGADHN Cc1nc(C)c([C@@H](C)NC2CC(C)(F)C2)s1 ZINC000334521218 353885871 /nfs/dbraw/zinc/88/58/71/353885871.db2.gz SDOMDLGJTCVAQV-DUACVJHASA-N 0 3 242.363 3.301 20 0 BGADHN Cc1nc(C)c([C@H](C)NC2CC(C)(F)C2)s1 ZINC000334521219 353885782 /nfs/dbraw/zinc/88/57/82/353885782.db2.gz SDOMDLGJTCVAQV-JNHNWMDNSA-N 0 3 242.363 3.301 20 0 BGADHN CCC1CN(Cc2ccc3ncccc3c2)C1 ZINC000334521270 353886061 /nfs/dbraw/zinc/88/60/61/353886061.db2.gz ADVAPYBCMVLHPM-UHFFFAOYSA-N 0 3 226.323 3.077 20 0 BGADHN C[C@H](NC1CC(C)(F)C1)c1ccc2c(c1)COC2 ZINC000334521710 353887655 /nfs/dbraw/zinc/88/76/55/353887655.db2.gz VTMOBFXGCLFLNR-ISAOAKOHSA-N 0 3 249.329 3.258 20 0 BGADHN C[C@@H](NC1CC(C)(F)C1)c1ccc2c(c1)COC2 ZINC000334521712 353887608 /nfs/dbraw/zinc/88/76/08/353887608.db2.gz VTMOBFXGCLFLNR-SFNBMPIDSA-N 0 3 249.329 3.258 20 0 BGADHN C[C@@H](NC1CC(C)(F)C1)c1ccsc1 ZINC000334521794 353887773 /nfs/dbraw/zinc/88/77/73/353887773.db2.gz YRRNPPGQUJYRHP-MFAVDMRSSA-N 0 3 213.321 3.289 20 0 BGADHN C[C@H](NC1CC(C)(F)C1)c1ccsc1 ZINC000334521797 353888002 /nfs/dbraw/zinc/88/80/02/353888002.db2.gz YRRNPPGQUJYRHP-PUSIOWJLSA-N 0 3 213.321 3.289 20 0 BGADHN CCC1CN(Cc2cccc3cccnc32)C1 ZINC000334522819 353890647 /nfs/dbraw/zinc/89/06/47/353890647.db2.gz SFFADAJQHBBLOM-UHFFFAOYSA-N 0 3 226.323 3.077 20 0 BGADHN Cc1ccccc1NC(=O)C(C)C(F)(F)F ZINC000334526315 353899208 /nfs/dbraw/zinc/89/92/08/353899208.db2.gz DAPCWHDGLXNTOO-MRVPVSSYSA-N 0 3 231.217 3.132 20 0 BGADHN Cc1ccccc1NC(=O)C(C)C(F)(F)F ZINC000334526318 353899178 /nfs/dbraw/zinc/89/91/78/353899178.db2.gz DAPCWHDGLXNTOO-QMMMGPOBSA-N 0 3 231.217 3.132 20 0 BGADHN C[C@@H]1C[C@@H](NC2CC(C(C)(C)C)C2)c2nccn21 ZINC000334530071 353906680 /nfs/dbraw/zinc/90/66/80/353906680.db2.gz GUVNHFPGNVVKLJ-IKWCTNDRSA-N 0 3 247.386 3.303 20 0 BGADHN C[C@H]1C[C@H](NC2CC(C(C)(C)C)C2)c2nccn21 ZINC000334530072 353906581 /nfs/dbraw/zinc/90/65/81/353906581.db2.gz GUVNHFPGNVVKLJ-WTIISPKJSA-N 0 3 247.386 3.303 20 0 BGADHN C[C@@H]1C[C@H](NC2CC(C(C)(C)C)C2)c2nccn21 ZINC000334530074 353906751 /nfs/dbraw/zinc/90/67/51/353906751.db2.gz GUVNHFPGNVVKLJ-XVSSEFHLSA-N 0 3 247.386 3.303 20 0 BGADHN C[C@H]1C[C@@H](NC2CC(C(C)(C)C)C2)c2nccn21 ZINC000334530076 353906534 /nfs/dbraw/zinc/90/65/34/353906534.db2.gz GUVNHFPGNVVKLJ-YWPUVAFDSA-N 0 3 247.386 3.303 20 0 BGADHN CC1CCC(C)(CN[C@@H]2CCn3ccnc32)CC1 ZINC000334531045 353909630 /nfs/dbraw/zinc/90/96/30/353909630.db2.gz OLJSJDZNMYHSPA-JVWICGRDSA-N 0 3 247.386 3.134 20 0 BGADHN CC1CCC(C)(CN[C@H]2CCn3ccnc32)CC1 ZINC000334531046 353909675 /nfs/dbraw/zinc/90/96/75/353909675.db2.gz OLJSJDZNMYHSPA-OWYJLGKBSA-N 0 3 247.386 3.134 20 0 BGADHN Cc1ccc([C@H](C)N2CCC[C@@]3(CCOC3)C2)o1 ZINC000334531304 353909662 /nfs/dbraw/zinc/90/96/62/353909662.db2.gz RTBYAKHRJFFPAW-DZGCQCFKSA-N 0 3 249.354 3.152 20 0 BGADHN Cc1ccc([C@@H](C)N2CCC[C@]3(CCOC3)C2)o1 ZINC000334531306 353909681 /nfs/dbraw/zinc/90/96/81/353909681.db2.gz RTBYAKHRJFFPAW-HIFRSBDPSA-N 0 3 249.354 3.152 20 0 BGADHN Cc1ccc([C@@H](C)N2CCC[C@@]3(CCOC3)C2)o1 ZINC000334531307 353909231 /nfs/dbraw/zinc/90/92/31/353909231.db2.gz RTBYAKHRJFFPAW-UKRRQHHQSA-N 0 3 249.354 3.152 20 0 BGADHN Cc1ccc([C@H](C)N2CCC[C@]3(CCOC3)C2)o1 ZINC000334531309 353909586 /nfs/dbraw/zinc/90/95/86/353909586.db2.gz RTBYAKHRJFFPAW-ZFWWWQNUSA-N 0 3 249.354 3.152 20 0 BGADHN C[C@H](N[C@H]1CC12CCCC2)c1ccncc1F ZINC000334536898 353924059 /nfs/dbraw/zinc/92/40/59/353924059.db2.gz IUPUGMBEQUJDGY-GWCFXTLKSA-N 0 3 234.318 3.204 20 0 BGADHN C[C@H](N[C@@H]1CC12CCCC2)c1ccncc1F ZINC000334536899 353923503 /nfs/dbraw/zinc/92/35/03/353923503.db2.gz IUPUGMBEQUJDGY-GXFFZTMASA-N 0 3 234.318 3.204 20 0 BGADHN C[C@@H](N[C@H]1CC12CCCC2)c1ccncc1F ZINC000334536900 353923708 /nfs/dbraw/zinc/92/37/08/353923708.db2.gz IUPUGMBEQUJDGY-MFKMUULPSA-N 0 3 234.318 3.204 20 0 BGADHN C[C@@H](N[C@@H]1CC12CCCC2)c1ccncc1F ZINC000334536901 353923979 /nfs/dbraw/zinc/92/39/79/353923979.db2.gz IUPUGMBEQUJDGY-ZWNOBZJWSA-N 0 3 234.318 3.204 20 0 BGADHN Cc1nc(C(C)C)oc1CN1CCCCCC1 ZINC000334538181 353925920 /nfs/dbraw/zinc/92/59/20/353925920.db2.gz VESPPWCDLSDWOV-UHFFFAOYSA-N 0 3 236.359 3.482 20 0 BGADHN CCc1nc(C)c(CN2CCC[C@H](C)[C@H]2C)o1 ZINC000334539537 353927041 /nfs/dbraw/zinc/92/70/41/353927041.db2.gz GOOFECAVGTXRQZ-CMPLNLGQSA-N 0 3 236.359 3.166 20 0 BGADHN CCc1nc(C)c(CN2CCC[C@H](C)[C@@H]2C)o1 ZINC000334539540 353926827 /nfs/dbraw/zinc/92/68/27/353926827.db2.gz GOOFECAVGTXRQZ-JQWIXIFHSA-N 0 3 236.359 3.166 20 0 BGADHN CCc1nc(C)c(CN2CCC[C@@H](C)[C@@H]2C)o1 ZINC000334539541 353926858 /nfs/dbraw/zinc/92/68/58/353926858.db2.gz GOOFECAVGTXRQZ-PWSUYJOCSA-N 0 3 236.359 3.166 20 0 BGADHN CCc1nc(C)c(CN2CCC[C@@H](C)[C@H]2C)o1 ZINC000334539543 347765583 /nfs/dbraw/zinc/76/55/83/347765583.db2.gz GOOFECAVGTXRQZ-ZYHUDNBSSA-N 0 3 236.359 3.166 20 0 BGADHN Cc1nc(C(C)C)oc1CN1C[C@H](C)C[C@H]1C ZINC000334540356 353974118 /nfs/dbraw/zinc/97/41/18/353974118.db2.gz UPHZMGFBUFMUEF-GHMZBOCLSA-N 0 3 236.359 3.337 20 0 BGADHN Cc1nc(C(C)C)oc1CN1C[C@H](C)C[C@@H]1C ZINC000334540359 353974257 /nfs/dbraw/zinc/97/42/57/353974257.db2.gz UPHZMGFBUFMUEF-MNOVXSKESA-N 0 3 236.359 3.337 20 0 BGADHN Cc1nc(C(C)C)oc1CN1C[C@@H](C)C[C@@H]1C ZINC000334540360 353974173 /nfs/dbraw/zinc/97/41/73/353974173.db2.gz UPHZMGFBUFMUEF-QWRGUYRKSA-N 0 3 236.359 3.337 20 0 BGADHN Cc1nc(C(C)C)oc1CN1C[C@@H](C)C[C@H]1C ZINC000334540361 353974078 /nfs/dbraw/zinc/97/40/78/353974078.db2.gz UPHZMGFBUFMUEF-WDEREUQCSA-N 0 3 236.359 3.337 20 0 BGADHN Cc1ccc2c(c1)CN(C1CC(OC(C)C)C1)C2 ZINC000334542217 353976792 /nfs/dbraw/zinc/97/67/92/353976792.db2.gz VEWNSWJBJWDOHX-UHFFFAOYSA-N 0 3 245.366 3.267 20 0 BGADHN c1cc(CN2CCCC23CCC3)nc2c1CCC2 ZINC000334542331 353976838 /nfs/dbraw/zinc/97/68/38/353976838.db2.gz WKQQHARGZIDIEN-UHFFFAOYSA-N 0 3 242.366 3.089 20 0 BGADHN Cc1nn(C(C)C)cc1CN1CCC2(CCC2)C1 ZINC000334548998 353988367 /nfs/dbraw/zinc/98/83/67/353988367.db2.gz NHICDSZQXXAQOD-UHFFFAOYSA-N 0 3 247.386 3.148 20 0 BGADHN Cc1csc(CN(C)C2(C)CCCC2)n1 ZINC000334553032 353994815 /nfs/dbraw/zinc/99/48/15/353994815.db2.gz KYVDKFFHVOKTCG-UHFFFAOYSA-N 0 3 224.373 3.216 20 0 BGADHN CC(C)OC1CC(N2CCc3ccccc3C2)C1 ZINC000334553297 353995774 /nfs/dbraw/zinc/99/57/74/353995774.db2.gz KDRGISMSHOSXNT-UHFFFAOYSA-N 0 3 245.366 3.001 20 0 BGADHN C[C@H](NC1CC2(CCC2)C1)c1cncc(F)c1 ZINC000334554659 353998650 /nfs/dbraw/zinc/99/86/50/353998650.db2.gz MFLDJVCYCCWCIJ-JTQLQIEISA-N 0 3 234.318 3.204 20 0 BGADHN C[C@@H](NC1CC2(CCC2)C1)c1cncc(F)c1 ZINC000334554662 353998686 /nfs/dbraw/zinc/99/86/86/353998686.db2.gz MFLDJVCYCCWCIJ-SNVBAGLBSA-N 0 3 234.318 3.204 20 0 BGADHN c1cc(CN2CCC[C@H](c3ccccc3)C2)on1 ZINC000334559728 136231377 /nfs/dbraw/zinc/23/13/77/136231377.db2.gz DZDRFRLLXLLMMR-AWEZNQCLSA-N 0 3 242.322 3.054 20 0 BGADHN c1cc(CN2CCC[C@@H](c3ccccc3)C2)on1 ZINC000334559730 136231325 /nfs/dbraw/zinc/23/13/25/136231325.db2.gz DZDRFRLLXLLMMR-CQSZACIVSA-N 0 3 242.322 3.054 20 0 BGADHN Cc1ccc2ncc(CN(C)C3CC3)cc2c1 ZINC000334563332 354080221 /nfs/dbraw/zinc/08/02/21/354080221.db2.gz VCWSWCCSZHVUJX-UHFFFAOYSA-N 0 3 226.323 3.137 20 0 BGADHN C[C@@H]1CCCCCN1Cc1cnc(C2CC2)nc1 ZINC000334563535 354081081 /nfs/dbraw/zinc/08/10/81/354081081.db2.gz LGSRLCVRYPGJHH-GFCCVEGCSA-N 0 3 245.370 3.119 20 0 BGADHN C[C@H]1CCCCCN1Cc1cnc(C2CC2)nc1 ZINC000334563550 354080588 /nfs/dbraw/zinc/08/05/88/354080588.db2.gz LGSRLCVRYPGJHH-LBPRGKRZSA-N 0 3 245.370 3.119 20 0 BGADHN Cc1nc([C@@H](C)NC2CC3(CCC3)C2)cs1 ZINC000334563818 354081114 /nfs/dbraw/zinc/08/11/14/354081114.db2.gz NHCXBDWKSGFOPB-SECBINFHSA-N 0 3 236.384 3.435 20 0 BGADHN Cc1nc([C@H](C)NC2CC3(CCC3)C2)cs1 ZINC000334563820 354081238 /nfs/dbraw/zinc/08/12/38/354081238.db2.gz NHCXBDWKSGFOPB-VIFPVBQESA-N 0 3 236.384 3.435 20 0 BGADHN c1cnc(CN2CCCC3(CCCCC3)C2)cn1 ZINC000334568126 354091220 /nfs/dbraw/zinc/09/12/20/354091220.db2.gz YRHJKOXZOSOTPK-UHFFFAOYSA-N 0 3 245.370 3.023 20 0 BGADHN Cc1cc(CNC2(C)CCC(C)CC2)no1 ZINC000334568398 354091800 /nfs/dbraw/zinc/09/18/00/354091800.db2.gz ZYJGGMYIMAUKGD-UHFFFAOYSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1nc(C(C)C)oc1CN1CCC2(CCC2)C1 ZINC000334569168 354093875 /nfs/dbraw/zinc/09/38/75/354093875.db2.gz HSYJMSMOSFZIIX-UHFFFAOYSA-N 0 3 248.370 3.482 20 0 BGADHN C[C@@H]1CCCN(Cc2cc3cccnc3o2)C1 ZINC000334577621 354120430 /nfs/dbraw/zinc/12/04/30/354120430.db2.gz RHDRMIRDWKXJIS-LLVKDONJSA-N 0 3 230.311 3.060 20 0 BGADHN C[C@H]1CCCN(Cc2cc3cccnc3o2)C1 ZINC000334577622 354120423 /nfs/dbraw/zinc/12/04/23/354120423.db2.gz RHDRMIRDWKXJIS-NSHDSACASA-N 0 3 230.311 3.060 20 0 BGADHN Cc1cnc([C@@H](C)N2CCC[C@@H](C(C)C)C2)o1 ZINC000334577929 354121299 /nfs/dbraw/zinc/12/12/99/354121299.db2.gz MVMQPOYLYKKVRI-CHWSQXEVSA-N 0 3 236.359 3.412 20 0 BGADHN Cc1cnc([C@@H](C)N2CCC[C@H](C(C)C)C2)o1 ZINC000334577931 354121065 /nfs/dbraw/zinc/12/10/65/354121065.db2.gz MVMQPOYLYKKVRI-OLZOCXBDSA-N 0 3 236.359 3.412 20 0 BGADHN Cc1cnc([C@H](C)N2CCC[C@@H](C(C)C)C2)o1 ZINC000334577932 354120948 /nfs/dbraw/zinc/12/09/48/354120948.db2.gz MVMQPOYLYKKVRI-QWHCGFSZSA-N 0 3 236.359 3.412 20 0 BGADHN Cc1cnc([C@H](C)N2CCC[C@H](C(C)C)C2)o1 ZINC000334577933 354121199 /nfs/dbraw/zinc/12/11/99/354121199.db2.gz MVMQPOYLYKKVRI-STQMWFEESA-N 0 3 236.359 3.412 20 0 BGADHN Cc1oncc1CN(C)C1CCCCCC1 ZINC000334584902 354207876 /nfs/dbraw/zinc/20/78/76/354207876.db2.gz GAKCZZQXYUCGRC-UHFFFAOYSA-N 0 3 222.332 3.138 20 0 BGADHN CCc1nc(C)c(CN2[C@H](C)CCC[C@@H]2C)o1 ZINC000334591260 354222313 /nfs/dbraw/zinc/22/23/13/354222313.db2.gz RNDVMVSDFMTGBN-PHIMTYICSA-N 0 3 236.359 3.308 20 0 BGADHN CC1(C2CC2)CCN(Cc2cncs2)CC1 ZINC000334593894 354225700 /nfs/dbraw/zinc/22/57/00/354225700.db2.gz HZPBNMPKZUZCGF-UHFFFAOYSA-N 0 3 236.384 3.155 20 0 BGADHN Cc1ccc(CN[C@H]2CCC23CCC3)nc1C ZINC000334595217 354228018 /nfs/dbraw/zinc/22/80/18/354228018.db2.gz BKYPVULYTMVGJE-AWEZNQCLSA-N 0 3 230.355 3.121 20 0 BGADHN Cc1ccc(CN[C@@H]2CCC23CCC3)nc1C ZINC000334595219 354227727 /nfs/dbraw/zinc/22/77/27/354227727.db2.gz BKYPVULYTMVGJE-CQSZACIVSA-N 0 3 230.355 3.121 20 0 BGADHN CNCc1nc(C2CCCCC2)c(C)s1 ZINC000334598397 354232619 /nfs/dbraw/zinc/23/26/19/354232619.db2.gz NEKAMEOJUBGEKA-UHFFFAOYSA-N 0 3 224.373 3.219 20 0 BGADHN C[C@@H](NC1CCCCCC1)c1cc2n(n1)CCC2 ZINC000334600487 354278630 /nfs/dbraw/zinc/27/86/30/354278630.db2.gz ZAFXRIXIGLAIAM-GFCCVEGCSA-N 0 3 247.386 3.203 20 0 BGADHN C[C@H](NC1CCCCCC1)c1cc2n(n1)CCC2 ZINC000334600489 354278248 /nfs/dbraw/zinc/27/82/48/354278248.db2.gz ZAFXRIXIGLAIAM-LBPRGKRZSA-N 0 3 247.386 3.203 20 0 BGADHN CCn1cncc1CN1CCC2(CCCC2)CC1 ZINC000334603435 354283503 /nfs/dbraw/zinc/28/35/03/354283503.db2.gz XWFDOYOOLRRXJE-UHFFFAOYSA-N 0 3 247.386 3.059 20 0 BGADHN CC1CCN(Cc2cc3cccnc3o2)CC1 ZINC000334605800 354312219 /nfs/dbraw/zinc/31/22/19/354312219.db2.gz KCNOJBIQUMLCJP-UHFFFAOYSA-N 0 3 230.311 3.060 20 0 BGADHN C[C@@H]1CCCCN1Cc1cc2cccnc2o1 ZINC000334606200 354313045 /nfs/dbraw/zinc/31/30/45/354313045.db2.gz RPWDTJPNLXFJRP-LLVKDONJSA-N 0 3 230.311 3.202 20 0 BGADHN C[C@H]1CCCCN1Cc1cc2cccnc2o1 ZINC000334606201 354313205 /nfs/dbraw/zinc/31/32/05/354313205.db2.gz RPWDTJPNLXFJRP-NSHDSACASA-N 0 3 230.311 3.202 20 0 BGADHN c1c2cccnc2oc1CN1CCCCCC1 ZINC000334606970 354313554 /nfs/dbraw/zinc/31/35/54/354313554.db2.gz YQWXSMMBGIRDOP-UHFFFAOYSA-N 0 3 230.311 3.204 20 0 BGADHN CCn1cncc1CN1CCC[C@H]2CCCC[C@H]21 ZINC000334608874 354316494 /nfs/dbraw/zinc/31/64/94/354316494.db2.gz CZXZQJACCMIISK-UKRRQHHQSA-N 0 3 247.386 3.058 20 0 BGADHN CC1(C)CC(N[C@H]2COCc3ccccc32)C1 ZINC000334623382 386277172 /nfs/dbraw/zinc/27/71/72/386277172.db2.gz UIUGMSRIJBXGNH-AWEZNQCLSA-N 0 3 231.339 3.036 20 0 BGADHN CC1(C)CC(N[C@@H]2COCc3ccccc32)C1 ZINC000334623384 386278060 /nfs/dbraw/zinc/27/80/60/386278060.db2.gz UIUGMSRIJBXGNH-CQSZACIVSA-N 0 3 231.339 3.036 20 0 BGADHN Cc1ccc2c(c1)CN(CC1CCC(=O)CC1)C2 ZINC000334623500 354361844 /nfs/dbraw/zinc/36/18/44/354361844.db2.gz RLZXDHUMXDSYET-UHFFFAOYSA-N 0 3 243.350 3.070 20 0 BGADHN CC(=O)c1cccc(CN2CC[C@H]3CCC[C@H]32)c1 ZINC000334628375 354369918 /nfs/dbraw/zinc/36/99/18/354369918.db2.gz PSDHEXXUSSNJMW-GDBMZVCRSA-N 0 3 243.350 3.264 20 0 BGADHN CC(=O)c1cccc(CN2CC[C@@H]3CCC[C@H]32)c1 ZINC000334628379 354369911 /nfs/dbraw/zinc/36/99/11/354369911.db2.gz PSDHEXXUSSNJMW-GOEBONIOSA-N 0 3 243.350 3.264 20 0 BGADHN CC(=O)c1cccc(CN2CC[C@@H]3CCC[C@@H]32)c1 ZINC000334628381 354370437 /nfs/dbraw/zinc/37/04/37/354370437.db2.gz PSDHEXXUSSNJMW-HOCLYGCPSA-N 0 3 243.350 3.264 20 0 BGADHN CC(=O)c1cccc(CN2CC[C@H]3CCC[C@@H]32)c1 ZINC000334628385 354370394 /nfs/dbraw/zinc/37/03/94/354370394.db2.gz PSDHEXXUSSNJMW-ZBFHGGJFSA-N 0 3 243.350 3.264 20 0 BGADHN CCCN1CC2(CCC2)[C@H]1c1ccco1 ZINC000334634245 354378782 /nfs/dbraw/zinc/37/87/82/354378782.db2.gz UFSLCSYKBSXAEE-GFCCVEGCSA-N 0 3 205.301 3.217 20 0 BGADHN CCCN1CC2(CCC2)[C@@H]1c1ccco1 ZINC000334634251 169185364 /nfs/dbraw/zinc/18/53/64/169185364.db2.gz UFSLCSYKBSXAEE-LBPRGKRZSA-N 0 3 205.301 3.217 20 0 BGADHN CC(C)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000334634882 386766318 /nfs/dbraw/zinc/76/63/18/386766318.db2.gz ZDUPGQHIFRERMA-GFCCVEGCSA-N 0 3 205.301 3.215 20 0 BGADHN CC(C)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000334634898 386767934 /nfs/dbraw/zinc/76/79/34/386767934.db2.gz ZDUPGQHIFRERMA-LBPRGKRZSA-N 0 3 205.301 3.215 20 0 BGADHN Cc1cnc([C@@H](C)N2CC[C@@H](C(C)(C)C)C2)cn1 ZINC000334638699 386778888 /nfs/dbraw/zinc/77/88/88/386778888.db2.gz YBPFNGIMSIQJOW-CHWSQXEVSA-N 0 3 247.386 3.214 20 0 BGADHN Cc1cnc([C@@H](C)N2CC[C@H](C(C)(C)C)C2)cn1 ZINC000334638700 386777278 /nfs/dbraw/zinc/77/72/78/386777278.db2.gz YBPFNGIMSIQJOW-OLZOCXBDSA-N 0 3 247.386 3.214 20 0 BGADHN Cc1cnc([C@H](C)N2CC[C@@H](C(C)(C)C)C2)cn1 ZINC000334638701 386777773 /nfs/dbraw/zinc/77/77/73/386777773.db2.gz YBPFNGIMSIQJOW-QWHCGFSZSA-N 0 3 247.386 3.214 20 0 BGADHN Cc1cnc([C@H](C)N2CC[C@H](C(C)(C)C)C2)cn1 ZINC000334638702 386778125 /nfs/dbraw/zinc/77/81/25/386778125.db2.gz YBPFNGIMSIQJOW-STQMWFEESA-N 0 3 247.386 3.214 20 0 BGADHN CC[C@@H]1CCCN1Cc1nc(C)sc1C ZINC000334643103 354399959 /nfs/dbraw/zinc/39/99/59/354399959.db2.gz VHXIREHVOBHUIG-LLVKDONJSA-N 0 3 224.373 3.134 20 0 BGADHN CC[C@H]1CCCN1Cc1nc(C)sc1C ZINC000334643117 354399993 /nfs/dbraw/zinc/39/99/93/354399993.db2.gz VHXIREHVOBHUIG-NSHDSACASA-N 0 3 224.373 3.134 20 0 BGADHN Cc1ccoc1CNC1CC2(CCC2)C1 ZINC000334644434 354402215 /nfs/dbraw/zinc/40/22/15/354402215.db2.gz DHPKLOZTEXDWIT-UHFFFAOYSA-N 0 3 205.301 3.010 20 0 BGADHN c1c2cccnc2oc1CN1CCCC2(CC2)C1 ZINC000334653351 354446689 /nfs/dbraw/zinc/44/66/89/354446689.db2.gz GOTQMKNKQKUYTQ-UHFFFAOYSA-N 0 3 242.322 3.204 20 0 BGADHN FC1(F)CC(CN2CC[C@@H]2c2ccccc2)C1 ZINC000334655171 354448850 /nfs/dbraw/zinc/44/88/50/354448850.db2.gz KTRPMEZHTJPUCR-CYBMUJFWSA-N 0 3 237.293 3.479 20 0 BGADHN FC1(F)CC(CN2CC[C@H]2c2ccccc2)C1 ZINC000334655172 354448841 /nfs/dbraw/zinc/44/88/41/354448841.db2.gz KTRPMEZHTJPUCR-ZDUSSCGKSA-N 0 3 237.293 3.479 20 0 BGADHN O=C1CCC(CN2CC[C@H]2c2ccccc2)CC1 ZINC000334655752 354449992 /nfs/dbraw/zinc/44/99/92/354449992.db2.gz UNNDFTXRDVZQGN-INIZCTEOSA-N 0 3 243.350 3.193 20 0 BGADHN O=C1CCC(CN2CC[C@@H]2c2ccccc2)CC1 ZINC000334655757 354449966 /nfs/dbraw/zinc/44/99/66/354449966.db2.gz UNNDFTXRDVZQGN-MRXNPFEDSA-N 0 3 243.350 3.193 20 0 BGADHN c1ncc(CN2CCCC3(CCCC3)C2)s1 ZINC000334663478 354463437 /nfs/dbraw/zinc/46/34/37/354463437.db2.gz SWJQLCPPLCSOJI-UHFFFAOYSA-N 0 3 236.384 3.299 20 0 BGADHN Cc1ccc(CN2CC(C)(C)[C@@H]2C2CC2)nc1 ZINC000334664999 354466070 /nfs/dbraw/zinc/46/60/70/354466070.db2.gz QOQFMAUZXRXJFB-AWEZNQCLSA-N 0 3 230.355 3.010 20 0 BGADHN Cc1ccc(CN2CC(C)(C)[C@H]2C2CC2)nc1 ZINC000334665007 384649037 /nfs/dbraw/zinc/64/90/37/384649037.db2.gz QOQFMAUZXRXJFB-CQSZACIVSA-N 0 3 230.355 3.010 20 0 BGADHN Cc1cnc(CNc2cc(C)cc(C)n2)s1 ZINC000334665782 354467523 /nfs/dbraw/zinc/46/75/23/354467523.db2.gz LOKIJUODQAKQLA-UHFFFAOYSA-N 0 3 233.340 3.075 20 0 BGADHN C[C@@H]1CC[C@@H](NCCF)c2sccc21 ZINC000334672396 354414756 /nfs/dbraw/zinc/41/47/56/354414756.db2.gz TZNQBEPVGQPLPA-PSASIEDQSA-N 0 3 213.321 3.246 20 0 BGADHN C[C@@H]1CC[C@H](NCCF)c2sccc21 ZINC000334672398 354414510 /nfs/dbraw/zinc/41/45/10/354414510.db2.gz TZNQBEPVGQPLPA-SCZZXKLOSA-N 0 3 213.321 3.246 20 0 BGADHN C[C@H]1CC[C@@H](NCCF)c2sccc21 ZINC000334672400 354414953 /nfs/dbraw/zinc/41/49/53/354414953.db2.gz TZNQBEPVGQPLPA-WCBMZHEXSA-N 0 3 213.321 3.246 20 0 BGADHN C[C@H]1CC[C@H](NCCF)c2sccc21 ZINC000334672401 354414593 /nfs/dbraw/zinc/41/45/93/354414593.db2.gz TZNQBEPVGQPLPA-WPRPVWTQSA-N 0 3 213.321 3.246 20 0 BGADHN Cc1csc(CNC23CCC(CC2)CC3)n1 ZINC000334675176 354418285 /nfs/dbraw/zinc/41/82/85/354418285.db2.gz HHTOALJOFBVIKC-UHFFFAOYSA-N 0 3 236.384 3.264 20 0 BGADHN Cc1cnc(CNC23CCC(CC2)CC3)s1 ZINC000334675749 354418815 /nfs/dbraw/zinc/41/88/15/354418815.db2.gz KPUDMGZPZOXEKZ-UHFFFAOYSA-N 0 3 236.384 3.264 20 0 BGADHN Fc1cnccc1CNC12CCC(CC1)CC2 ZINC000334676378 490417096 /nfs/dbraw/zinc/41/70/96/490417096.db2.gz QSCDPNWGGOHIIZ-UHFFFAOYSA-N 0 3 234.318 3.033 20 0 BGADHN FC(F)C1CCN(CC2CC(F)(F)C2)CC1 ZINC000334676570 354419785 /nfs/dbraw/zinc/41/97/85/354419785.db2.gz QQGNZZIOFMHIBE-UHFFFAOYSA-N 0 3 239.256 3.009 20 0 BGADHN Cc1ccc(CN[C@@H]2CCCC(F)(F)C2)nc1 ZINC000334677880 354421923 /nfs/dbraw/zinc/42/19/23/354421923.db2.gz XJMORKSKUVGYIH-LLVKDONJSA-N 0 3 240.297 3.058 20 0 BGADHN Cc1ccc(CN[C@H]2CCCC(F)(F)C2)nc1 ZINC000334677882 354421941 /nfs/dbraw/zinc/42/19/41/354421941.db2.gz XJMORKSKUVGYIH-NSHDSACASA-N 0 3 240.297 3.058 20 0 BGADHN CN(Cc1cncs1)C1CCC(F)(F)CC1 ZINC000334684692 354430961 /nfs/dbraw/zinc/43/09/61/354430961.db2.gz DEQSYEVHXYSBER-UHFFFAOYSA-N 0 3 246.326 3.153 20 0 BGADHN Cc1nc(C(C)C)oc1CN1C[C@@H](C)[C@H](C)C1 ZINC000334694654 354485346 /nfs/dbraw/zinc/48/53/46/354485346.db2.gz HDRWKZNAWPFXGZ-GHMZBOCLSA-N 0 3 236.359 3.194 20 0 BGADHN Cc1nc(C(C)C)oc1CN1C[C@H](C)[C@H](C)C1 ZINC000334694655 354485577 /nfs/dbraw/zinc/48/55/77/354485577.db2.gz HDRWKZNAWPFXGZ-PHIMTYICSA-N 0 3 236.359 3.194 20 0 BGADHN Cc1nc(C(C)C)oc1CN1C[C@H](C)[C@@H](C)C1 ZINC000334694656 354485679 /nfs/dbraw/zinc/48/56/79/354485679.db2.gz HDRWKZNAWPFXGZ-QWRGUYRKSA-N 0 3 236.359 3.194 20 0 BGADHN CC(C)N1CCC(c2ncccc2Cl)CC1 ZINC000334695457 354487313 /nfs/dbraw/zinc/48/73/13/354487313.db2.gz GWAURJVWKOHWPA-UHFFFAOYSA-N 0 3 238.762 3.323 20 0 BGADHN Cc1ncc(CN(C)C2(C)CCCC2)s1 ZINC000334708919 354504150 /nfs/dbraw/zinc/50/41/50/354504150.db2.gz SPOYSIYXFQPRGR-UHFFFAOYSA-N 0 3 224.373 3.216 20 0 BGADHN Cc1ncc(CNC2CCC(C)(C)CC2)o1 ZINC000334723141 388447611 /nfs/dbraw/zinc/44/76/11/388447611.db2.gz FEYJXDFRUOJTGR-UHFFFAOYSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1ncc(CN[C@@H]2CCCC23CCCC3)o1 ZINC000334723740 385263941 /nfs/dbraw/zinc/26/39/41/385263941.db2.gz GTVFCCFMVPIGPG-CYBMUJFWSA-N 0 3 234.343 3.186 20 0 BGADHN Cc1ncc(CN[C@H]2CCCC23CCCC3)o1 ZINC000334723743 385264215 /nfs/dbraw/zinc/26/42/15/385264215.db2.gz GTVFCCFMVPIGPG-ZDUSSCGKSA-N 0 3 234.343 3.186 20 0 BGADHN Cc1ncc(CN[C@@H]2CCCC(C)(C)C2)o1 ZINC000334723881 385263747 /nfs/dbraw/zinc/26/37/47/385263747.db2.gz ISMFADPZOSFCTG-LLVKDONJSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1ncc(CN[C@H]2CCCC(C)(C)C2)o1 ZINC000334723885 385262234 /nfs/dbraw/zinc/26/22/34/385262234.db2.gz ISMFADPZOSFCTG-NSHDSACASA-N 0 3 222.332 3.041 20 0 BGADHN Cc1ncc(CN[C@@H]2CCCCC2(C)C)o1 ZINC000334723905 385263495 /nfs/dbraw/zinc/26/34/95/385263495.db2.gz IUDHTDVKWCUXHC-GFCCVEGCSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1ncc(CN[C@H]2CCCCC2(C)C)o1 ZINC000334723908 385264677 /nfs/dbraw/zinc/26/46/77/385264677.db2.gz IUDHTDVKWCUXHC-LBPRGKRZSA-N 0 3 222.332 3.041 20 0 BGADHN C[C@@H]1CC[C@H](C)N1Cc1nc2cccnc2s1 ZINC000334736626 354537612 /nfs/dbraw/zinc/53/76/12/354537612.db2.gz XYSYQXQWIGQSPC-AOOOYVTPSA-N 0 3 247.367 3.064 20 0 BGADHN C[C@@H]1CC[C@@H](C)N1Cc1nc2cccnc2s1 ZINC000334736627 354537774 /nfs/dbraw/zinc/53/77/74/354537774.db2.gz XYSYQXQWIGQSPC-NXEZZACHSA-N 0 3 247.367 3.064 20 0 BGADHN C[C@H]1CC[C@H](C)N1Cc1nc2cccnc2s1 ZINC000334736628 133743926 /nfs/dbraw/zinc/74/39/26/133743926.db2.gz XYSYQXQWIGQSPC-UWVGGRQHSA-N 0 3 247.367 3.064 20 0 BGADHN C[C@H](NC1CC2(CCC2)C1)c1ccncc1F ZINC000334739829 354542962 /nfs/dbraw/zinc/54/29/62/354542962.db2.gz IJAANANAEXWHII-JTQLQIEISA-N 0 3 234.318 3.204 20 0 BGADHN C[C@@H](NC1CC2(CCC2)C1)c1ccncc1F ZINC000334739830 354542792 /nfs/dbraw/zinc/54/27/92/354542792.db2.gz IJAANANAEXWHII-SNVBAGLBSA-N 0 3 234.318 3.204 20 0 BGADHN C[C@H]1C[C@H](NC2CCC3(CC3)CC2)c2nccn21 ZINC000334741611 354545301 /nfs/dbraw/zinc/54/53/01/354545301.db2.gz MDYQIAWYEHDVSS-AAEUAGOBSA-N 0 3 245.370 3.201 20 0 BGADHN C[C@@H]1C[C@@H](NC2CCC3(CC3)CC2)c2nccn21 ZINC000334741613 354545097 /nfs/dbraw/zinc/54/50/97/354545097.db2.gz MDYQIAWYEHDVSS-DGCLKSJQSA-N 0 3 245.370 3.201 20 0 BGADHN C[C@H]1C[C@@H](NC2CCC3(CC3)CC2)c2nccn21 ZINC000334741615 354545115 /nfs/dbraw/zinc/54/51/15/354545115.db2.gz MDYQIAWYEHDVSS-WCQYABFASA-N 0 3 245.370 3.201 20 0 BGADHN C[C@@H]1C[C@H](NC2CCC3(CC3)CC2)c2nccn21 ZINC000334741617 385621520 /nfs/dbraw/zinc/62/15/20/385621520.db2.gz MDYQIAWYEHDVSS-YPMHNXCESA-N 0 3 245.370 3.201 20 0 BGADHN CC(C)n1nccc1CN1C[C@@H]2CCCC[C@@H]2C1 ZINC000334746616 354471012 /nfs/dbraw/zinc/47/10/12/354471012.db2.gz JVCAMKQSMJUUBN-OKILXGFUSA-N 0 3 247.386 3.086 20 0 BGADHN Cc1cc(CN(C)C2CC2)cc2cccnc12 ZINC000334746824 354471578 /nfs/dbraw/zinc/47/15/78/354471578.db2.gz LFTGONZKEOYVKS-UHFFFAOYSA-N 0 3 226.323 3.137 20 0 BGADHN C[C@H](c1cnccn1)N1CCC(C)(C2CC2)CC1 ZINC000334749454 354474734 /nfs/dbraw/zinc/47/47/34/354474734.db2.gz NSORKSKOYKPWCP-GFCCVEGCSA-N 0 3 245.370 3.050 20 0 BGADHN C[C@@H](c1cnccn1)N1CCC(C)(C2CC2)CC1 ZINC000334749455 354474651 /nfs/dbraw/zinc/47/46/51/354474651.db2.gz NSORKSKOYKPWCP-LBPRGKRZSA-N 0 3 245.370 3.050 20 0 BGADHN Cc1csc(CN[C@@H]2CCCC23CCC3)n1 ZINC000334757728 384475367 /nfs/dbraw/zinc/47/53/67/384475367.db2.gz OCYRVOFHFHFZCR-LLVKDONJSA-N 0 3 236.384 3.264 20 0 BGADHN Cc1csc(CN[C@H]2CCCC23CCC3)n1 ZINC000334757730 384474922 /nfs/dbraw/zinc/47/49/22/384474922.db2.gz OCYRVOFHFHFZCR-NSHDSACASA-N 0 3 236.384 3.264 20 0 BGADHN Cc1noc(C)c1CN[C@@H]1CCCC12CCC2 ZINC000334757839 384477756 /nfs/dbraw/zinc/47/77/56/384477756.db2.gz QISRUGGSPQCCDZ-CYBMUJFWSA-N 0 3 234.343 3.104 20 0 BGADHN Cc1noc(C)c1CN[C@H]1CCCC12CCC2 ZINC000334757840 384476963 /nfs/dbraw/zinc/47/69/63/384476963.db2.gz QISRUGGSPQCCDZ-ZDUSSCGKSA-N 0 3 234.343 3.104 20 0 BGADHN Cc1cnc(CN[C@@H]2CCCC23CCC3)s1 ZINC000334759087 384520326 /nfs/dbraw/zinc/52/03/26/384520326.db2.gz ZIMRFOZCLVCMMK-LLVKDONJSA-N 0 3 236.384 3.264 20 0 BGADHN Cc1cnc(CN[C@H]2CCCC23CCC3)s1 ZINC000334759089 384522128 /nfs/dbraw/zinc/52/21/28/384522128.db2.gz ZIMRFOZCLVCMMK-NSHDSACASA-N 0 3 236.384 3.264 20 0 BGADHN Cc1nn(C(C)C)cc1CN1C[C@H](C)C[C@@H]1C ZINC000334765893 354587027 /nfs/dbraw/zinc/58/70/27/354587027.db2.gz CUIQXLNJYTUNIG-NEPJUHHUSA-N 0 3 235.375 3.003 20 0 BGADHN Cc1nn(C(C)C)cc1CN1C[C@@H](C)C[C@H]1C ZINC000334765894 354586929 /nfs/dbraw/zinc/58/69/29/354586929.db2.gz CUIQXLNJYTUNIG-NWDGAFQWSA-N 0 3 235.375 3.003 20 0 BGADHN Cc1nn(C(C)C)cc1CN1C[C@@H](C)C[C@@H]1C ZINC000334765896 354586978 /nfs/dbraw/zinc/58/69/78/354586978.db2.gz CUIQXLNJYTUNIG-RYUDHWBXSA-N 0 3 235.375 3.003 20 0 BGADHN Cc1nn(C(C)C)cc1CN1C[C@H](C)C[C@H]1C ZINC000334765897 354587090 /nfs/dbraw/zinc/58/70/90/354587090.db2.gz CUIQXLNJYTUNIG-VXGBXAGGSA-N 0 3 235.375 3.003 20 0 BGADHN Cc1cc(CN[C@@]2(C)CCCC[C@@H]2C)no1 ZINC000334785459 386844334 /nfs/dbraw/zinc/84/43/34/386844334.db2.gz JFBWEMQLRYDIOT-GWCFXTLKSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1cc(CN[C@]2(C)CCCC[C@@H]2C)no1 ZINC000334785462 386845272 /nfs/dbraw/zinc/84/52/72/386845272.db2.gz JFBWEMQLRYDIOT-GXFFZTMASA-N 0 3 222.332 3.041 20 0 BGADHN Cc1cc(CN[C@@]2(C)CCCC[C@H]2C)no1 ZINC000334785464 386845724 /nfs/dbraw/zinc/84/57/24/386845724.db2.gz JFBWEMQLRYDIOT-MFKMUULPSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1cc(CN[C@]2(C)CCCC[C@H]2C)no1 ZINC000334785467 135812103 /nfs/dbraw/zinc/81/21/03/135812103.db2.gz JFBWEMQLRYDIOT-ZWNOBZJWSA-N 0 3 222.332 3.041 20 0 BGADHN Clc1ccc(CNC2CC3(CCC3)C2)nc1 ZINC000334785578 386845174 /nfs/dbraw/zinc/84/51/74/386845174.db2.gz KBESVZKUFCZKJB-UHFFFAOYSA-N 0 3 236.746 3.157 20 0 BGADHN CC(C)(C)C1CN(Cc2cc3cccnc3o2)C1 ZINC000334788250 386851132 /nfs/dbraw/zinc/85/11/32/386851132.db2.gz SWJUHDKZBXNBRO-UHFFFAOYSA-N 0 3 244.338 3.306 20 0 BGADHN CN(Cc1ccc(Cl)cn1)C1CCCC1 ZINC000334789809 386853463 /nfs/dbraw/zinc/85/34/63/386853463.db2.gz FFGDHFHOKXPLDX-UHFFFAOYSA-N 0 3 224.735 3.109 20 0 BGADHN C[C@H]1c2ccccc2CN1C[C@H]1CCCCO1 ZINC000334789831 386854395 /nfs/dbraw/zinc/85/43/95/386854395.db2.gz HBNUTMBXESFAHY-GXTWGEPZSA-N 0 3 231.339 3.132 20 0 BGADHN C[C@H]1c2ccccc2CN1C[C@@H]1CCCCO1 ZINC000334789836 386853634 /nfs/dbraw/zinc/85/36/34/386853634.db2.gz HBNUTMBXESFAHY-JSGCOSHPSA-N 0 3 231.339 3.132 20 0 BGADHN C[C@@H]1c2ccccc2CN1C[C@@H]1CCCCO1 ZINC000334789838 386852988 /nfs/dbraw/zinc/85/29/88/386852988.db2.gz HBNUTMBXESFAHY-OCCSQVGLSA-N 0 3 231.339 3.132 20 0 BGADHN C[C@@H]1c2ccccc2CN1C[C@H]1CCCCO1 ZINC000334789839 386854325 /nfs/dbraw/zinc/85/43/25/386854325.db2.gz HBNUTMBXESFAHY-TZMCWYRMSA-N 0 3 231.339 3.132 20 0 BGADHN Cc1cc([C@H]2CCCN2[C@@H]2C=CCCC2)on1 ZINC000334801043 354556398 /nfs/dbraw/zinc/55/63/98/354556398.db2.gz PEJNBQJWOLFXGK-CHWSQXEVSA-N 0 3 232.327 3.229 20 0 BGADHN Cc1cc([C@@H]2CCCN2[C@@H]2C=CCCC2)on1 ZINC000334801044 354556494 /nfs/dbraw/zinc/55/64/94/354556494.db2.gz PEJNBQJWOLFXGK-OLZOCXBDSA-N 0 3 232.327 3.229 20 0 BGADHN Fc1cc(-c2ncco2)ccc1CN1CCCC1 ZINC000334804682 354561129 /nfs/dbraw/zinc/56/11/29/354561129.db2.gz DOHDVZHNGMPJST-UHFFFAOYSA-N 0 3 246.285 3.077 20 0 BGADHN Cc1ccc2ncc(CN3CCCC3)cc2c1 ZINC000334808787 354565705 /nfs/dbraw/zinc/56/57/05/354565705.db2.gz UCPZPFLVNKZTME-UHFFFAOYSA-N 0 3 226.323 3.139 20 0 BGADHN C[C@@H](N[C@H]1CCC(C)(C)C1)c1cc2n(n1)CCC2 ZINC000334828452 386864877 /nfs/dbraw/zinc/86/48/77/386864877.db2.gz KWKJNCGTJGPHLG-NEPJUHHUSA-N 0 3 247.386 3.059 20 0 BGADHN C[C@H](N[C@@H]1CCC(C)(C)C1)c1cc2n(n1)CCC2 ZINC000334828453 386865190 /nfs/dbraw/zinc/86/51/90/386865190.db2.gz KWKJNCGTJGPHLG-NWDGAFQWSA-N 0 3 247.386 3.059 20 0 BGADHN C[C@H](N[C@H]1CCC(C)(C)C1)c1cc2n(n1)CCC2 ZINC000334828454 386864709 /nfs/dbraw/zinc/86/47/09/386864709.db2.gz KWKJNCGTJGPHLG-RYUDHWBXSA-N 0 3 247.386 3.059 20 0 BGADHN C[C@@H](N[C@@H]1CCC(C)(C)C1)c1cc2n(n1)CCC2 ZINC000334828455 386865411 /nfs/dbraw/zinc/86/54/11/386865411.db2.gz KWKJNCGTJGPHLG-VXGBXAGGSA-N 0 3 247.386 3.059 20 0 BGADHN Cc1cc(CN2CCC3(CCCC3)CC2)on1 ZINC000334831043 386867447 /nfs/dbraw/zinc/86/74/47/386867447.db2.gz DPUFHVJNHDLJDA-UHFFFAOYSA-N 0 3 234.343 3.139 20 0 BGADHN Cc1cccc2c1CC[C@@H]2N[C@H](C)c1cn[nH]c1 ZINC000334831661 386869627 /nfs/dbraw/zinc/86/96/27/386869627.db2.gz CURGIIGXUKHLMD-ABAIWWIYSA-N 0 3 241.338 3.056 20 0 BGADHN Cc1cccc2c1CC[C@H]2N[C@H](C)c1cn[nH]c1 ZINC000334831663 386869143 /nfs/dbraw/zinc/86/91/43/386869143.db2.gz CURGIIGXUKHLMD-IAQYHMDHSA-N 0 3 241.338 3.056 20 0 BGADHN Cc1cccc2c1CC[C@@H]2N[C@@H](C)c1cn[nH]c1 ZINC000334831664 386869574 /nfs/dbraw/zinc/86/95/74/386869574.db2.gz CURGIIGXUKHLMD-NHYWBVRUSA-N 0 3 241.338 3.056 20 0 BGADHN Cc1cccc2c1CC[C@H]2N[C@@H](C)c1cn[nH]c1 ZINC000334831665 386868862 /nfs/dbraw/zinc/86/88/62/386868862.db2.gz CURGIIGXUKHLMD-XHDPSFHLSA-N 0 3 241.338 3.056 20 0 BGADHN Cc1occc1CN1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000334834996 386873999 /nfs/dbraw/zinc/87/39/99/386873999.db2.gz CPOFRIAVRLGHLZ-NEPJUHHUSA-N 0 3 241.281 3.065 20 0 BGADHN Cc1occc1CN1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000334834997 386874500 /nfs/dbraw/zinc/87/45/00/386874500.db2.gz CPOFRIAVRLGHLZ-NWDGAFQWSA-N 0 3 241.281 3.065 20 0 BGADHN C[C@H]1C[C@H](NC2(C3CCC3)CCC2)c2nccn21 ZINC000334837154 386878574 /nfs/dbraw/zinc/87/85/74/386878574.db2.gz VIPUJKULJMAHQL-AAEUAGOBSA-N 0 3 245.370 3.201 20 0 BGADHN C[C@@H]1C[C@@H](NC2(C3CCC3)CCC2)c2nccn21 ZINC000334837155 386879212 /nfs/dbraw/zinc/87/92/12/386879212.db2.gz VIPUJKULJMAHQL-DGCLKSJQSA-N 0 3 245.370 3.201 20 0 BGADHN C[C@H]1C[C@@H](NC2(C3CCC3)CCC2)c2nccn21 ZINC000334837157 386878850 /nfs/dbraw/zinc/87/88/50/386878850.db2.gz VIPUJKULJMAHQL-WCQYABFASA-N 0 3 245.370 3.201 20 0 BGADHN C[C@@H]1C[C@H](NC2(C3CCC3)CCC2)c2nccn21 ZINC000334837160 386878138 /nfs/dbraw/zinc/87/81/38/386878138.db2.gz VIPUJKULJMAHQL-YPMHNXCESA-N 0 3 245.370 3.201 20 0 BGADHN Cc1ccc(CN(C)C2CCC(C)(C)CC2)nn1 ZINC000334839938 386883710 /nfs/dbraw/zinc/88/37/10/386883710.db2.gz FFABFSXAYZUUDX-UHFFFAOYSA-N 0 3 247.386 3.186 20 0 BGADHN Cc1ccc(CN2CCC[C@H](C(C)C)CC2)nn1 ZINC000334841598 386885857 /nfs/dbraw/zinc/88/58/57/386885857.db2.gz PDIGWNGZHYKARB-AWEZNQCLSA-N 0 3 247.386 3.043 20 0 BGADHN Cc1ccc(CN2CCC[C@@H](C(C)C)CC2)nn1 ZINC000334841599 386886465 /nfs/dbraw/zinc/88/64/65/386886465.db2.gz PDIGWNGZHYKARB-CQSZACIVSA-N 0 3 247.386 3.043 20 0 BGADHN Cc1occc1CN1CCC(C(F)F)CC1 ZINC000334842146 386888071 /nfs/dbraw/zinc/88/80/71/386888071.db2.gz QUQFNLUIPYQKCD-UHFFFAOYSA-N 0 3 229.270 3.065 20 0 BGADHN Cc1ccc(CN2CCC(C(C)(C)C)CC2)nn1 ZINC000334850034 386899267 /nfs/dbraw/zinc/89/92/67/386899267.db2.gz YCNMEVISKRPFRM-UHFFFAOYSA-N 0 3 247.386 3.043 20 0 BGADHN Cc1nc2ccc(CN(C)C3CC3)cc2s1 ZINC000334850611 386900877 /nfs/dbraw/zinc/90/08/77/386900877.db2.gz OSVJVTUFNFXJOA-UHFFFAOYSA-N 0 3 232.352 3.199 20 0 BGADHN Cc1occc1CN[C@@H]1CCCC(F)(F)C1 ZINC000334862851 386917362 /nfs/dbraw/zinc/91/73/62/386917362.db2.gz SUDGBRITEBQKDK-LLVKDONJSA-N 0 3 229.270 3.256 20 0 BGADHN Cc1occc1CN[C@H]1CCCC(F)(F)C1 ZINC000334862867 386917742 /nfs/dbraw/zinc/91/77/42/386917742.db2.gz SUDGBRITEBQKDK-NSHDSACASA-N 0 3 229.270 3.256 20 0 BGADHN CC1=CC[C@H](N[C@@H](C)c2nccs2)CC1 ZINC000334866869 168121677 /nfs/dbraw/zinc/12/16/77/168121677.db2.gz GKTHKRFZAUHPFX-QWRGUYRKSA-N 0 3 222.357 3.293 20 0 BGADHN CC1=CC[C@@H](N[C@@H](C)c2nccs2)CC1 ZINC000334866871 168119225 /nfs/dbraw/zinc/11/92/25/168119225.db2.gz GKTHKRFZAUHPFX-WDEREUQCSA-N 0 3 222.357 3.293 20 0 BGADHN C[C@@H](N[C@@H]1CCCC1(C)C)c1cc2n(n1)CCC2 ZINC000334867765 386927003 /nfs/dbraw/zinc/92/70/03/386927003.db2.gz JJCYTKYUMZOWPI-BXUZGUMPSA-N 0 3 247.386 3.059 20 0 BGADHN C[C@H](N[C@H]1CCCC1(C)C)c1cc2n(n1)CCC2 ZINC000334867768 386925715 /nfs/dbraw/zinc/92/57/15/386925715.db2.gz JJCYTKYUMZOWPI-FZMZJTMJSA-N 0 3 247.386 3.059 20 0 BGADHN C[C@@H](N[C@H]1CCCC1(C)C)c1cc2n(n1)CCC2 ZINC000334867771 386925581 /nfs/dbraw/zinc/92/55/81/386925581.db2.gz JJCYTKYUMZOWPI-RISCZKNCSA-N 0 3 247.386 3.059 20 0 BGADHN C[C@H](N[C@@H]1CCCC1(C)C)c1cc2n(n1)CCC2 ZINC000334867773 386926133 /nfs/dbraw/zinc/92/61/33/386926133.db2.gz JJCYTKYUMZOWPI-SMDDNHRTSA-N 0 3 247.386 3.059 20 0 BGADHN C[C@H](NC1CC2(CCC2)C1)c1nccs1 ZINC000334868272 386925442 /nfs/dbraw/zinc/92/54/42/386925442.db2.gz OODKFCUQTQVDKO-VIFPVBQESA-N 0 3 222.357 3.126 20 0 BGADHN CCN1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000334877177 170006602 /nfs/dbraw/zinc/00/66/02/170006602.db2.gz AKNGAODCMHAPJH-SECBINFHSA-N 0 3 221.266 3.061 20 0 BGADHN CCN1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000334877179 386938745 /nfs/dbraw/zinc/93/87/45/386938745.db2.gz AKNGAODCMHAPJH-VIFPVBQESA-N 0 3 221.266 3.061 20 0 BGADHN Cc1nc(CN2CCC[C@@H]2C2CCC2)oc1C ZINC000334895633 386968965 /nfs/dbraw/zinc/96/89/65/386968965.db2.gz PHJUDKQWYBUFLC-CYBMUJFWSA-N 0 3 234.343 3.056 20 0 BGADHN Cc1nc(CN2CCC[C@H]2C2CCC2)oc1C ZINC000334895634 386968554 /nfs/dbraw/zinc/96/85/54/386968554.db2.gz PHJUDKQWYBUFLC-ZDUSSCGKSA-N 0 3 234.343 3.056 20 0 BGADHN CCC1CC(N[C@@H]2COCc3ccccc32)C1 ZINC000334907258 386980530 /nfs/dbraw/zinc/98/05/30/386980530.db2.gz ANQPXPYRSUIQAG-ABIUDSBCSA-N 0 3 231.339 3.036 20 0 BGADHN CCC1CC(N[C@H]2COCc3ccccc32)C1 ZINC000334907259 386980661 /nfs/dbraw/zinc/98/06/61/386980661.db2.gz ANQPXPYRSUIQAG-HGMXIMQMSA-N 0 3 231.339 3.036 20 0 BGADHN Cc1c(F)cccc1NC(=O)C(C)C(F)(F)F ZINC000334912116 386986327 /nfs/dbraw/zinc/98/63/27/386986327.db2.gz XNZGRWRHXUEVOQ-SSDOTTSWSA-N 0 3 249.207 3.271 20 0 BGADHN Cc1c(F)cccc1NC(=O)C(C)C(F)(F)F ZINC000334912117 386986024 /nfs/dbraw/zinc/98/60/24/386986024.db2.gz XNZGRWRHXUEVOQ-ZETCQYMHSA-N 0 3 249.207 3.271 20 0 BGADHN CN(Cc1nc2cccnc2s1)C1CCCC1 ZINC000334919331 386995221 /nfs/dbraw/zinc/99/52/21/386995221.db2.gz YVHMJEUKPWODQA-UHFFFAOYSA-N 0 3 247.367 3.066 20 0 BGADHN Cc1cc([C@@H](C)NC2CCC3(CC3)CC2)no1 ZINC000334934262 135844970 /nfs/dbraw/zinc/84/49/70/135844970.db2.gz VTTUIXHRVQVWBP-LLVKDONJSA-N 0 3 234.343 3.356 20 0 BGADHN Cc1cc([C@H](C)NC2CCC3(CC3)CC2)no1 ZINC000334934263 387010844 /nfs/dbraw/zinc/01/08/44/387010844.db2.gz VTTUIXHRVQVWBP-NSHDSACASA-N 0 3 234.343 3.356 20 0 BGADHN CCn1cncc1CN1CCC2(C1)CCCCC2 ZINC000334935968 387012706 /nfs/dbraw/zinc/01/27/06/387012706.db2.gz IBLHDTWUNSQWPR-UHFFFAOYSA-N 0 3 247.386 3.059 20 0 BGADHN Cc1cc([C@@H](C)NC2CCC3(CC3)CC2)nn1C ZINC000334947272 387109008 /nfs/dbraw/zinc/10/90/08/387109008.db2.gz PGXYVPNTFIHBSV-GFCCVEGCSA-N 0 3 247.386 3.102 20 0 BGADHN Cc1cc([C@H](C)NC2CCC3(CC3)CC2)nn1C ZINC000334947273 387110649 /nfs/dbraw/zinc/11/06/49/387110649.db2.gz PGXYVPNTFIHBSV-LBPRGKRZSA-N 0 3 247.386 3.102 20 0 BGADHN CC(C)N1CCC(CC(F)(F)F)CC1 ZINC000334953333 387031089 /nfs/dbraw/zinc/03/10/89/387031089.db2.gz ALPCLKCETGGKEG-UHFFFAOYSA-N 0 3 209.255 3.059 20 0 BGADHN Cc1ncc(CN2CC3(CCC3)[C@H]2C2CC2)s1 ZINC000334978266 387064737 /nfs/dbraw/zinc/06/47/37/387064737.db2.gz XFEIRZOWZIIMSZ-CYBMUJFWSA-N 0 3 248.395 3.216 20 0 BGADHN Cc1ncc(CN2CC3(CCC3)[C@@H]2C2CC2)s1 ZINC000334978267 387064862 /nfs/dbraw/zinc/06/48/62/387064862.db2.gz XFEIRZOWZIIMSZ-ZDUSSCGKSA-N 0 3 248.395 3.216 20 0 BGADHN Cc1cccc(NC(=O)C(C)C(F)(F)F)c1C ZINC000334991769 387080055 /nfs/dbraw/zinc/08/00/55/387080055.db2.gz PREULWPYNQSPPJ-SECBINFHSA-N 0 3 245.244 3.440 20 0 BGADHN Cc1cccc(NC(=O)C(C)C(F)(F)F)c1C ZINC000334991770 387080403 /nfs/dbraw/zinc/08/04/03/387080403.db2.gz PREULWPYNQSPPJ-VIFPVBQESA-N 0 3 245.244 3.440 20 0 BGADHN c1ncc(CN2CC[C@@H](C3CCCC3)C2)s1 ZINC000334993058 387082410 /nfs/dbraw/zinc/08/24/10/387082410.db2.gz DXWZNKQKDGBUPD-GFCCVEGCSA-N 0 3 236.384 3.155 20 0 BGADHN c1ncc(CN2CC[C@H](C3CCCC3)C2)s1 ZINC000334993059 387082496 /nfs/dbraw/zinc/08/24/96/387082496.db2.gz DXWZNKQKDGBUPD-LBPRGKRZSA-N 0 3 236.384 3.155 20 0 BGADHN F[C@H]1CCC[C@H]1NCc1ccc2ncccc2c1 ZINC000335013537 385969491 /nfs/dbraw/zinc/96/94/91/385969491.db2.gz BPQFFLMFUDSNRJ-DZGCQCFKSA-N 0 3 244.313 3.215 20 0 BGADHN C[C@@H](NC1CC(C)C1)c1ccncc1Cl ZINC000335027375 387120945 /nfs/dbraw/zinc/12/09/45/387120945.db2.gz SSVWLFQGHAMTFA-HWOCKDDLSA-N 0 3 224.735 3.184 20 0 BGADHN C[C@H](NC1CC(C)C1)c1ccncc1Cl ZINC000335027376 387120917 /nfs/dbraw/zinc/12/09/17/387120917.db2.gz SSVWLFQGHAMTFA-KYHHOPLUSA-N 0 3 224.735 3.184 20 0 BGADHN C[C@@H](N[C@@H]1CC=CCC1)c1ccncc1Cl ZINC000335028105 387120533 /nfs/dbraw/zinc/12/05/33/387120533.db2.gz WNJMQEAYMZUQMP-GHMZBOCLSA-N 0 3 236.746 3.494 20 0 BGADHN C[C@@H](N[C@H]1CC=CCC1)c1ccncc1Cl ZINC000335028145 387120754 /nfs/dbraw/zinc/12/07/54/387120754.db2.gz WNJMQEAYMZUQMP-MNOVXSKESA-N 0 3 236.746 3.494 20 0 BGADHN C[C@H](N[C@H]1CC=CCC1)c1ccncc1Cl ZINC000335028147 387120791 /nfs/dbraw/zinc/12/07/91/387120791.db2.gz WNJMQEAYMZUQMP-QWRGUYRKSA-N 0 3 236.746 3.494 20 0 BGADHN C[C@H](N[C@@H]1CC=CCC1)c1ccncc1Cl ZINC000335028609 387123005 /nfs/dbraw/zinc/12/30/05/387123005.db2.gz WNJMQEAYMZUQMP-WDEREUQCSA-N 0 3 236.746 3.494 20 0 BGADHN Cc1ncccc1CN[C@@H]1CCCC(F)(F)C1 ZINC000335045831 385941474 /nfs/dbraw/zinc/94/14/74/385941474.db2.gz KJNSIVMUFUFRME-GFCCVEGCSA-N 0 3 240.297 3.058 20 0 BGADHN Cc1ncccc1CN[C@H]1CCCC(F)(F)C1 ZINC000335045833 385941697 /nfs/dbraw/zinc/94/16/97/385941697.db2.gz KJNSIVMUFUFRME-LBPRGKRZSA-N 0 3 240.297 3.058 20 0 BGADHN Oc1cccc(CN[C@@H]2CCCC(F)(F)C2)c1 ZINC000335046237 385940855 /nfs/dbraw/zinc/94/08/55/385940855.db2.gz WHNPLMLEBUFNSA-LLVKDONJSA-N 0 3 241.281 3.060 20 0 BGADHN Oc1cccc(CN[C@H]2CCCC(F)(F)C2)c1 ZINC000335046238 385941670 /nfs/dbraw/zinc/94/16/70/385941670.db2.gz WHNPLMLEBUFNSA-NSHDSACASA-N 0 3 241.281 3.060 20 0 BGADHN CC1(C)CCN([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000335070396 386018928 /nfs/dbraw/zinc/01/89/28/386018928.db2.gz QQQFKMYQJFGLQE-CYBMUJFWSA-N 0 3 246.354 3.385 20 0 BGADHN CC1(C)CCN([C@H](C(N)=O)c2ccccc2)CC1 ZINC000335070407 398275937 /nfs/dbraw/zinc/27/59/37/398275937.db2.gz QQQFKMYQJFGLQE-ZDUSSCGKSA-N 0 3 246.354 3.385 20 0 BGADHN CC1(C)CCCN1Cc1nc2cccnc2s1 ZINC000335073060 386065824 /nfs/dbraw/zinc/06/58/24/386065824.db2.gz KMYODYMIHMZNGV-UHFFFAOYSA-N 0 3 247.367 3.066 20 0 BGADHN C[C@@H](NC1CCCC1)c1ccncc1Cl ZINC000335075847 386044175 /nfs/dbraw/zinc/04/41/75/386044175.db2.gz STUXGLTUQIOMSD-SECBINFHSA-N 0 3 224.735 3.328 20 0 BGADHN C[C@H](NC1CCCC1)c1ccncc1Cl ZINC000335075849 386044779 /nfs/dbraw/zinc/04/47/79/386044779.db2.gz STUXGLTUQIOMSD-VIFPVBQESA-N 0 3 224.735 3.328 20 0 BGADHN Cc1cnc([C@@H](C)N2CC[C@H](C(C)C)C2)o1 ZINC000335091813 354628213 /nfs/dbraw/zinc/62/82/13/354628213.db2.gz CUGUULHEMGXGLM-NEPJUHHUSA-N 0 3 222.332 3.022 20 0 BGADHN Cc1cnc([C@H](C)N2CC[C@@H](C(C)C)C2)o1 ZINC000335091815 354628363 /nfs/dbraw/zinc/62/83/63/354628363.db2.gz CUGUULHEMGXGLM-NWDGAFQWSA-N 0 3 222.332 3.022 20 0 BGADHN Cc1cnc([C@H](C)N2CC[C@H](C(C)C)C2)o1 ZINC000335091817 354628400 /nfs/dbraw/zinc/62/84/00/354628400.db2.gz CUGUULHEMGXGLM-RYUDHWBXSA-N 0 3 222.332 3.022 20 0 BGADHN Cc1cnc([C@@H](C)N2CC[C@@H](C(C)C)C2)o1 ZINC000335091819 354628146 /nfs/dbraw/zinc/62/81/46/354628146.db2.gz CUGUULHEMGXGLM-VXGBXAGGSA-N 0 3 222.332 3.022 20 0 BGADHN Cc1cnc([C@@H](C)N2CCC[C@H](C)CC2)o1 ZINC000335093242 354630336 /nfs/dbraw/zinc/63/03/36/354630336.db2.gz ONNNRZKFXKVTSU-CMPLNLGQSA-N 0 3 222.332 3.166 20 0 BGADHN Cc1cnc([C@H](C)N2CCC[C@H](C)CC2)o1 ZINC000335093244 354630019 /nfs/dbraw/zinc/63/00/19/354630019.db2.gz ONNNRZKFXKVTSU-JQWIXIFHSA-N 0 3 222.332 3.166 20 0 BGADHN Cc1cnc([C@H](C)N2CCC[C@@H](C)CC2)o1 ZINC000335093245 354630163 /nfs/dbraw/zinc/63/01/63/354630163.db2.gz ONNNRZKFXKVTSU-PWSUYJOCSA-N 0 3 222.332 3.166 20 0 BGADHN Cc1cnc([C@@H](C)N2CCC[C@@H](C)CC2)o1 ZINC000335093246 354630224 /nfs/dbraw/zinc/63/02/24/354630224.db2.gz ONNNRZKFXKVTSU-ZYHUDNBSSA-N 0 3 222.332 3.166 20 0 BGADHN CCc1nc(C)c(CN2CC[C@@H](C)C[C@H]2C)o1 ZINC000335094776 354633000 /nfs/dbraw/zinc/63/30/00/354633000.db2.gz KGTDLWSBDCFXHF-GHMZBOCLSA-N 0 3 236.359 3.166 20 0 BGADHN CC1(C)CCC(CN[C@@H]2CCn3ccnc32)CC1 ZINC000335105160 384823340 /nfs/dbraw/zinc/82/33/40/384823340.db2.gz TUWARBPRWKOJSK-CYBMUJFWSA-N 0 3 247.386 3.134 20 0 BGADHN CC1(C)CCC(CN[C@H]2CCn3ccnc32)CC1 ZINC000335105161 384822703 /nfs/dbraw/zinc/82/27/03/384822703.db2.gz TUWARBPRWKOJSK-ZDUSSCGKSA-N 0 3 247.386 3.134 20 0 BGADHN CC(C)n1cncc1CN1CC2(CCC2)C[C@H]1C ZINC000335107132 354692370 /nfs/dbraw/zinc/69/23/70/354692370.db2.gz BUSJOVHIMDUCOK-CYBMUJFWSA-N 0 3 247.386 3.229 20 0 BGADHN CC(C)n1cncc1CN1CC2(CCC2)C[C@@H]1C ZINC000335107134 354692407 /nfs/dbraw/zinc/69/24/07/354692407.db2.gz BUSJOVHIMDUCOK-ZDUSSCGKSA-N 0 3 247.386 3.229 20 0 BGADHN CC(C)n1cncc1CN1CCCC(C)(C)C1 ZINC000335107292 354692899 /nfs/dbraw/zinc/69/28/99/354692899.db2.gz CCDUSGQMOSPNJU-UHFFFAOYSA-N 0 3 235.375 3.086 20 0 BGADHN CC(C)n1cncc1CN1CC(C)(C)C[C@H]1C ZINC000335109186 354694940 /nfs/dbraw/zinc/69/49/40/354694940.db2.gz LQKVXIKOYQIWIC-GFCCVEGCSA-N 0 3 235.375 3.084 20 0 BGADHN CC(C)n1cncc1CN1CC(C)(C)C[C@@H]1C ZINC000335109188 354695164 /nfs/dbraw/zinc/69/51/64/354695164.db2.gz LQKVXIKOYQIWIC-LBPRGKRZSA-N 0 3 235.375 3.084 20 0 BGADHN CC(C)n1cncc1CN1CCC[C@@H](C)CC1 ZINC000335112108 354699045 /nfs/dbraw/zinc/69/90/45/354699045.db2.gz RWQSWEZHQPXCLM-CYBMUJFWSA-N 0 3 235.375 3.086 20 0 BGADHN CC(C)n1cncc1CN1CCC[C@H](C)CC1 ZINC000335112109 354698897 /nfs/dbraw/zinc/69/88/97/354698897.db2.gz RWQSWEZHQPXCLM-ZDUSSCGKSA-N 0 3 235.375 3.086 20 0 BGADHN COC1CCN(Cc2coc3ccccc23)CC1 ZINC000335126410 354770324 /nfs/dbraw/zinc/77/03/24/354770324.db2.gz TTYLPHIUVCBQBE-UHFFFAOYSA-N 0 3 245.322 3.044 20 0 BGADHN Cc1csc(CN2CCC[C@@H](C3CC3)C2)n1 ZINC000335131660 386131280 /nfs/dbraw/zinc/13/12/80/386131280.db2.gz JXRFGTDFHXCBEG-GFCCVEGCSA-N 0 3 236.384 3.074 20 0 BGADHN Cc1csc(CN2CCC[C@H](C3CC3)C2)n1 ZINC000335131661 386092042 /nfs/dbraw/zinc/09/20/42/386092042.db2.gz JXRFGTDFHXCBEG-LBPRGKRZSA-N 0 3 236.384 3.074 20 0 BGADHN Cc1ncsc1CN1CCC[C@@H](C2CC2)C1 ZINC000335144972 354852901 /nfs/dbraw/zinc/85/29/01/354852901.db2.gz WQPYLMJFPMRAGB-GFCCVEGCSA-N 0 3 236.384 3.074 20 0 BGADHN Cc1ncsc1CN1CCC[C@H](C2CC2)C1 ZINC000335144973 354852969 /nfs/dbraw/zinc/85/29/69/354852969.db2.gz WQPYLMJFPMRAGB-LBPRGKRZSA-N 0 3 236.384 3.074 20 0 BGADHN CC(C)n1cncc1CN1C[C@H](C)CC[C@H]1C ZINC000335145534 354854432 /nfs/dbraw/zinc/85/44/32/354854432.db2.gz AYVFVNMRWVMBJB-CHWSQXEVSA-N 0 3 235.375 3.084 20 0 BGADHN CC(C)n1cncc1CN1C[C@H](C)CC[C@@H]1C ZINC000335145535 354854418 /nfs/dbraw/zinc/85/44/18/354854418.db2.gz AYVFVNMRWVMBJB-OLZOCXBDSA-N 0 3 235.375 3.084 20 0 BGADHN CC(C)n1cncc1CN1C[C@@H](C)CC[C@H]1C ZINC000335145536 354854566 /nfs/dbraw/zinc/85/45/66/354854566.db2.gz AYVFVNMRWVMBJB-QWHCGFSZSA-N 0 3 235.375 3.084 20 0 BGADHN CC(C)n1cncc1CN1C[C@@H](C)CC[C@@H]1C ZINC000335145537 354854440 /nfs/dbraw/zinc/85/44/40/354854440.db2.gz AYVFVNMRWVMBJB-STQMWFEESA-N 0 3 235.375 3.084 20 0 BGADHN CC(C)n1cncc1CN1CCC[C@@H](C)[C@H]1C ZINC000335146205 354856222 /nfs/dbraw/zinc/85/62/22/354856222.db2.gz IMQVWDCLPKEEFQ-CHWSQXEVSA-N 0 3 235.375 3.084 20 0 BGADHN CC(C)n1cncc1CN1CCC[C@@H](C)[C@@H]1C ZINC000335146207 354856313 /nfs/dbraw/zinc/85/63/13/354856313.db2.gz IMQVWDCLPKEEFQ-OLZOCXBDSA-N 0 3 235.375 3.084 20 0 BGADHN CC(C)n1cncc1CN1CCC[C@H](C)[C@H]1C ZINC000335146210 354856556 /nfs/dbraw/zinc/85/65/56/354856556.db2.gz IMQVWDCLPKEEFQ-QWHCGFSZSA-N 0 3 235.375 3.084 20 0 BGADHN CC(C)n1cncc1CN1CCC[C@H](C)[C@@H]1C ZINC000335146212 354856172 /nfs/dbraw/zinc/85/61/72/354856172.db2.gz IMQVWDCLPKEEFQ-STQMWFEESA-N 0 3 235.375 3.084 20 0 BGADHN CC(C)n1cncc1CN1CCCCC[C@H]1C ZINC000335146315 354857228 /nfs/dbraw/zinc/85/72/28/354857228.db2.gz JNJXLXZBSYYLGS-CYBMUJFWSA-N 0 3 235.375 3.229 20 0 BGADHN CC(C)n1cncc1CN1CCCCC[C@@H]1C ZINC000335146319 354857239 /nfs/dbraw/zinc/85/72/39/354857239.db2.gz JNJXLXZBSYYLGS-ZDUSSCGKSA-N 0 3 235.375 3.229 20 0 BGADHN CC(C)n1cncc1CN1CCC(C)(C)CC1 ZINC000335146589 354857856 /nfs/dbraw/zinc/85/78/56/354857856.db2.gz LLOJFYAAXQQDGL-UHFFFAOYSA-N 0 3 235.375 3.086 20 0 BGADHN Cc1cccc(CN(C)C2CC(C)(C)C2)n1 ZINC000335148574 179063186 /nfs/dbraw/zinc/06/31/86/179063186.db2.gz PEOMCCPRMGRXNR-UHFFFAOYSA-N 0 3 218.344 3.010 20 0 BGADHN CC(C)n1cncc1CN1C[C@H](C)CC1(C)C ZINC000335148759 354862762 /nfs/dbraw/zinc/86/27/62/354862762.db2.gz YQTYLHJYDQFZOY-GFCCVEGCSA-N 0 3 235.375 3.084 20 0 BGADHN CC(C)n1cncc1CN1C[C@@H](C)CC1(C)C ZINC000335148760 354862750 /nfs/dbraw/zinc/86/27/50/354862750.db2.gz YQTYLHJYDQFZOY-LBPRGKRZSA-N 0 3 235.375 3.084 20 0 BGADHN Cc1ccc(CNC2CC3(CCC3)C2)nc1C ZINC000335150929 386143429 /nfs/dbraw/zinc/14/34/29/386143429.db2.gz UUMYJXFJHFHITR-UHFFFAOYSA-N 0 3 230.355 3.121 20 0 BGADHN Cc1noc(C)c1CNC1CC2(C1)CCCCC2 ZINC000335161431 354913002 /nfs/dbraw/zinc/91/30/02/354913002.db2.gz GHFZAERERYYKKV-UHFFFAOYSA-N 0 3 248.370 3.494 20 0 BGADHN c1csc(CNC2CC3(C2)CCCCC3)n1 ZINC000335162138 354914519 /nfs/dbraw/zinc/91/45/19/354914519.db2.gz PAKQHNJFBONXMV-UHFFFAOYSA-N 0 3 236.384 3.346 20 0 BGADHN Cc1ncccc1CN(C)C1CC(C)(C)C1 ZINC000335165837 354923125 /nfs/dbraw/zinc/92/31/25/354923125.db2.gz FVRZUYXJKVBUKD-UHFFFAOYSA-N 0 3 218.344 3.010 20 0 BGADHN Cc1cccnc1CN(C)C1CC(C)(C)C1 ZINC000335167008 354926054 /nfs/dbraw/zinc/92/60/54/354926054.db2.gz KYAZMNMILYPHKB-UHFFFAOYSA-N 0 3 218.344 3.010 20 0 BGADHN Cc1ncsc1CN(C)C1CC(C)(C)C1 ZINC000335169399 354932276 /nfs/dbraw/zinc/93/22/76/354932276.db2.gz PUDBGMJWEIPYAF-UHFFFAOYSA-N 0 3 224.373 3.072 20 0 BGADHN Cc1ccc(CN(C)C2CC(C)(C)C2)nc1 ZINC000335170239 354933267 /nfs/dbraw/zinc/93/32/67/354933267.db2.gz SJZLZCCHEJFTQK-UHFFFAOYSA-N 0 3 218.344 3.010 20 0 BGADHN Cc1ccncc1CN(C)C1CC(C)(C)C1 ZINC000335170270 354933518 /nfs/dbraw/zinc/93/35/18/354933518.db2.gz TWUVXFKHUJQANT-UHFFFAOYSA-N 0 3 218.344 3.010 20 0 BGADHN Cc1cnccc1CN(C)C1CC(C)(C)C1 ZINC000335170297 354933555 /nfs/dbraw/zinc/93/35/55/354933555.db2.gz UVPHTAQKEBNWJT-UHFFFAOYSA-N 0 3 218.344 3.010 20 0 BGADHN Fc1ccc(CN[C@@H]2CCCC23CCC3)nc1 ZINC000335170665 354934612 /nfs/dbraw/zinc/93/46/12/354934612.db2.gz PJOQMQDZGCFEPT-CYBMUJFWSA-N 0 3 234.318 3.033 20 0 BGADHN Fc1ccc(CN[C@H]2CCCC23CCC3)nc1 ZINC000335170666 354934394 /nfs/dbraw/zinc/93/43/94/354934394.db2.gz PJOQMQDZGCFEPT-ZDUSSCGKSA-N 0 3 234.318 3.033 20 0 BGADHN Cc1ccc(CN(C)C2CC(C)(C)C2)cn1 ZINC000335170943 354934819 /nfs/dbraw/zinc/93/48/19/354934819.db2.gz XGCMDNVTHPJCGN-UHFFFAOYSA-N 0 3 218.344 3.010 20 0 BGADHN C[C@H]1CC(C)(C)CN1[C@H](C(N)=O)c1ccccc1 ZINC000335171702 354936156 /nfs/dbraw/zinc/93/61/56/354936156.db2.gz HZYJBUGFRYIWFD-AAEUAGOBSA-N 0 3 246.354 3.383 20 0 BGADHN C[C@@H]1CC(C)(C)CN1[C@@H](C(N)=O)c1ccccc1 ZINC000335171703 354936328 /nfs/dbraw/zinc/93/63/28/354936328.db2.gz HZYJBUGFRYIWFD-DGCLKSJQSA-N 0 3 246.354 3.383 20 0 BGADHN C[C@H]1CC(C)(C)CN1[C@@H](C(N)=O)c1ccccc1 ZINC000335171704 354936216 /nfs/dbraw/zinc/93/62/16/354936216.db2.gz HZYJBUGFRYIWFD-WCQYABFASA-N 0 3 246.354 3.383 20 0 BGADHN C[C@@H]1CC(C)(C)CN1[C@H](C(N)=O)c1ccccc1 ZINC000335171705 354936350 /nfs/dbraw/zinc/93/63/50/354936350.db2.gz HZYJBUGFRYIWFD-YPMHNXCESA-N 0 3 246.354 3.383 20 0 BGADHN Cc1ccc(CN[C@@H]2CCC(C)(C)C[C@H]2C)nn1 ZINC000335174319 384848386 /nfs/dbraw/zinc/84/83/86/384848386.db2.gz CKHMXGHGIKUKGU-BXUZGUMPSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1ccc(CN[C@H]2CCC(C)(C)C[C@@H]2C)nn1 ZINC000335174320 384847764 /nfs/dbraw/zinc/84/77/64/384847764.db2.gz CKHMXGHGIKUKGU-FZMZJTMJSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1ccc(CN[C@H]2CCC(C)(C)C[C@H]2C)nn1 ZINC000335174321 384848457 /nfs/dbraw/zinc/84/84/57/384848457.db2.gz CKHMXGHGIKUKGU-RISCZKNCSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1ccc(CN[C@@H]2CCC(C)(C)C[C@@H]2C)nn1 ZINC000335174322 135408707 /nfs/dbraw/zinc/40/87/07/135408707.db2.gz CKHMXGHGIKUKGU-SMDDNHRTSA-N 0 3 247.386 3.089 20 0 BGADHN C[C@@H](NC1CC2(C1)CCCCC2)c1ccn(C)n1 ZINC000335187983 355087318 /nfs/dbraw/zinc/08/73/18/355087318.db2.gz BNVYFWZDQWGIAN-GFCCVEGCSA-N 0 3 247.386 3.184 20 0 BGADHN C[C@H](NC1CC2(C1)CCCCC2)c1ccn(C)n1 ZINC000335187984 355086901 /nfs/dbraw/zinc/08/69/01/355086901.db2.gz BNVYFWZDQWGIAN-LBPRGKRZSA-N 0 3 247.386 3.184 20 0 BGADHN Cc1ncc(CNC2CC3(C2)CCCCC3)o1 ZINC000335188640 355019404 /nfs/dbraw/zinc/01/94/04/355019404.db2.gz FOVVWVPISRDMAV-UHFFFAOYSA-N 0 3 234.343 3.186 20 0 BGADHN Cc1cnc([C@@H](C)N2CC(C)(C)C[C@@H]2C)o1 ZINC000335188700 355019377 /nfs/dbraw/zinc/01/93/77/355019377.db2.gz IBEKEEOFOJIINF-GXSJLCMTSA-N 0 3 222.332 3.164 20 0 BGADHN Cc1cnc([C@H](C)N2CC(C)(C)C[C@H]2C)o1 ZINC000335188701 355019669 /nfs/dbraw/zinc/01/96/69/355019669.db2.gz IBEKEEOFOJIINF-KOLCDFICSA-N 0 3 222.332 3.164 20 0 BGADHN Cc1cnc([C@@H](C)N2CC(C)(C)C[C@H]2C)o1 ZINC000335188702 355019638 /nfs/dbraw/zinc/01/96/38/355019638.db2.gz IBEKEEOFOJIINF-MWLCHTKSSA-N 0 3 222.332 3.164 20 0 BGADHN Cc1cnc([C@H](C)N2CC(C)(C)C[C@@H]2C)o1 ZINC000335188703 355019600 /nfs/dbraw/zinc/01/96/00/355019600.db2.gz IBEKEEOFOJIINF-ONGXEEELSA-N 0 3 222.332 3.164 20 0 BGADHN CCc1nc(C)c(CN2CC(C)(C)C[C@@H]2C)o1 ZINC000335188779 355019176 /nfs/dbraw/zinc/01/91/76/355019176.db2.gz JZCYTWBKYAEPKA-JTQLQIEISA-N 0 3 236.359 3.166 20 0 BGADHN CCc1nc(C)c(CN2CC(C)(C)C[C@H]2C)o1 ZINC000335188780 355019553 /nfs/dbraw/zinc/01/95/53/355019553.db2.gz JZCYTWBKYAEPKA-SNVBAGLBSA-N 0 3 236.359 3.166 20 0 BGADHN C[C@@H]1CC(C)(C)CN1Cc1cccc(C(N)=O)c1 ZINC000335189112 355020697 /nfs/dbraw/zinc/02/06/97/355020697.db2.gz JRAHJRRFJDDDFT-LLVKDONJSA-N 0 3 246.354 3.190 20 0 BGADHN C[C@H]1CC(C)(C)CN1Cc1cccc(C(N)=O)c1 ZINC000335189113 355020262 /nfs/dbraw/zinc/02/02/62/355020262.db2.gz JRAHJRRFJDDDFT-NSHDSACASA-N 0 3 246.354 3.190 20 0 BGADHN Cc1ncsc1CN1CC(C)(C)C[C@H]1C ZINC000335194054 355026827 /nfs/dbraw/zinc/02/68/27/355026827.db2.gz XVXSNMJAYHBROI-SECBINFHSA-N 0 3 224.373 3.072 20 0 BGADHN Cc1ncsc1CN1CC(C)(C)C[C@@H]1C ZINC000335194064 355027615 /nfs/dbraw/zinc/02/76/15/355027615.db2.gz XVXSNMJAYHBROI-VIFPVBQESA-N 0 3 224.373 3.072 20 0 BGADHN CCn1cncc1CN1CCCC2(CCCC2)C1 ZINC000335194436 355027140 /nfs/dbraw/zinc/02/71/40/355027140.db2.gz FGRQIFYHPBXCJR-UHFFFAOYSA-N 0 3 247.386 3.059 20 0 BGADHN Cc1cscc1NC(=O)C(C)C(F)(F)F ZINC000335207482 355043845 /nfs/dbraw/zinc/04/38/45/355043845.db2.gz OFBYTPYXEYDTBD-LURJTMIESA-N 0 3 237.246 3.193 20 0 BGADHN Cc1cscc1NC(=O)C(C)C(F)(F)F ZINC000335207483 355043539 /nfs/dbraw/zinc/04/35/39/355043539.db2.gz OFBYTPYXEYDTBD-ZCFIWIBFSA-N 0 3 237.246 3.193 20 0 BGADHN FC1(F)CC(NCc2coc3ccccc23)C1 ZINC000335209930 355046558 /nfs/dbraw/zinc/04/65/58/355046558.db2.gz OBMQIKBLYDOCJE-UHFFFAOYSA-N 0 3 237.249 3.320 20 0 BGADHN c1nc(C2CC2)c(CN2CCC3(CCC3)C2)s1 ZINC000335213362 583612888 /nfs/dbraw/zinc/61/28/88/583612888.db2.gz PDGMJSXXUBUUPX-UHFFFAOYSA-N 0 3 248.395 3.397 20 0 BGADHN C[C@H]1CCCCN1Cc1scnc1C1CC1 ZINC000335218454 583612906 /nfs/dbraw/zinc/61/29/06/583612906.db2.gz KZHJQHFVYWTCPF-JTQLQIEISA-N 0 3 236.384 3.395 20 0 BGADHN C[C@@H]1CCCCN1Cc1scnc1C1CC1 ZINC000335218457 583612966 /nfs/dbraw/zinc/61/29/66/583612966.db2.gz KZHJQHFVYWTCPF-SNVBAGLBSA-N 0 3 236.384 3.395 20 0 BGADHN Cc1ccc(CN2CC3(CCC3)[C@@H]2C2CC2)cn1 ZINC000335221513 538092325 /nfs/dbraw/zinc/09/23/25/538092325.db2.gz ZEQSMQNNBOOBCR-HNNXBMFYSA-N 0 3 242.366 3.155 20 0 BGADHN Cc1ccc(CN2CC3(CCC3)[C@H]2C2CC2)cn1 ZINC000335221514 538092318 /nfs/dbraw/zinc/09/23/18/538092318.db2.gz ZEQSMQNNBOOBCR-OAHLLOKOSA-N 0 3 242.366 3.155 20 0 BGADHN Cc1csc(CN2CC3(CCC3)C[C@H]2C)n1 ZINC000335226416 355067828 /nfs/dbraw/zinc/06/78/28/355067828.db2.gz UAOYBOQPGZVSJI-LLVKDONJSA-N 0 3 236.384 3.216 20 0 BGADHN Cc1csc(CN2CC3(CCC3)C[C@@H]2C)n1 ZINC000335226417 355067796 /nfs/dbraw/zinc/06/77/96/355067796.db2.gz UAOYBOQPGZVSJI-NSHDSACASA-N 0 3 236.384 3.216 20 0 BGADHN C[C@@H](NC1CC2(C1)CCCCC2)c1cn[nH]c1 ZINC000335230754 355073415 /nfs/dbraw/zinc/07/34/15/355073415.db2.gz JMYTXPVZAQTODL-LLVKDONJSA-N 0 3 233.359 3.173 20 0 BGADHN C[C@H](NC1CC2(C1)CCCCC2)c1cn[nH]c1 ZINC000335230756 355073093 /nfs/dbraw/zinc/07/30/93/355073093.db2.gz JMYTXPVZAQTODL-NSHDSACASA-N 0 3 233.359 3.173 20 0 BGADHN Cc1cc(CNC2CC3(C2)CCCCC3)on1 ZINC000335232671 355092981 /nfs/dbraw/zinc/09/29/81/355092981.db2.gz PDSHRTCEPJXQJX-UHFFFAOYSA-N 0 3 234.343 3.186 20 0 BGADHN c1cc2c(s1)CCC[C@H]2NCC1=CCOCC1 ZINC000335233127 388449089 /nfs/dbraw/zinc/44/90/89/388449089.db2.gz KIJMGOOPHQKJCA-CYBMUJFWSA-N 0 3 249.379 3.062 20 0 BGADHN c1cc2c(s1)CCC[C@@H]2NCC1=CCOCC1 ZINC000335233128 388448970 /nfs/dbraw/zinc/44/89/70/388448970.db2.gz KIJMGOOPHQKJCA-ZDUSSCGKSA-N 0 3 249.379 3.062 20 0 BGADHN C[C@@H](NC1CC2(C1)CCCCC2)c1cnn(C)c1 ZINC000335233961 355094665 /nfs/dbraw/zinc/09/46/65/355094665.db2.gz UOLFJSHTYNODKK-GFCCVEGCSA-N 0 3 247.386 3.184 20 0 BGADHN C[C@H](NC1CC2(C1)CCCCC2)c1cnn(C)c1 ZINC000335233962 355094540 /nfs/dbraw/zinc/09/45/40/355094540.db2.gz UOLFJSHTYNODKK-LBPRGKRZSA-N 0 3 247.386 3.184 20 0 BGADHN C[C@@]1(NCc2ncc(Cl)s2)CC=CCC1 ZINC000335237682 384866000 /nfs/dbraw/zinc/86/60/00/384866000.db2.gz BOJWSWHGJXKXLK-LLVKDONJSA-N 0 3 242.775 3.385 20 0 BGADHN C[C@]1(NCc2ncc(Cl)s2)CC=CCC1 ZINC000335237684 384866070 /nfs/dbraw/zinc/86/60/70/384866070.db2.gz BOJWSWHGJXKXLK-NSHDSACASA-N 0 3 242.775 3.385 20 0 BGADHN Cc1nc(CN[C@]2(C)CC=CCC2)cs1 ZINC000335239628 384865281 /nfs/dbraw/zinc/86/52/81/384865281.db2.gz LVMAGSMXJVCCEE-GFCCVEGCSA-N 0 3 222.357 3.040 20 0 BGADHN Cc1nc(CN[C@@]2(C)CC=CCC2)cs1 ZINC000335239629 384671105 /nfs/dbraw/zinc/67/11/05/384671105.db2.gz LVMAGSMXJVCCEE-LBPRGKRZSA-N 0 3 222.357 3.040 20 0 BGADHN Cc1cncc(CN(C)C2CC(C)(C)C2)c1 ZINC000335242058 355177699 /nfs/dbraw/zinc/17/76/99/355177699.db2.gz UQXIMZCCBOTDAI-UHFFFAOYSA-N 0 3 218.344 3.010 20 0 BGADHN Cc1csc(CN[C@]2(C)CC=CCC2)n1 ZINC000335242086 388449234 /nfs/dbraw/zinc/44/92/34/388449234.db2.gz VTSRPYAWJPQPQR-GFCCVEGCSA-N 0 3 222.357 3.040 20 0 BGADHN Cc1csc(CN[C@@]2(C)CC=CCC2)n1 ZINC000335242087 388449297 /nfs/dbraw/zinc/44/92/97/388449297.db2.gz VTSRPYAWJPQPQR-LBPRGKRZSA-N 0 3 222.357 3.040 20 0 BGADHN Cc1cnc(CN[C@]2(C)CC=CCC2)s1 ZINC000335242878 384872641 /nfs/dbraw/zinc/87/26/41/384872641.db2.gz WTONMSHXXKUSEI-GFCCVEGCSA-N 0 3 222.357 3.040 20 0 BGADHN Cc1cnc(CN[C@@]2(C)CC=CCC2)s1 ZINC000335242881 384871557 /nfs/dbraw/zinc/87/15/57/384871557.db2.gz WTONMSHXXKUSEI-LBPRGKRZSA-N 0 3 222.357 3.040 20 0 BGADHN C[C@@H](N[C@@H]1CC12CC2)c1nccc2ccccc21 ZINC000335247270 384675347 /nfs/dbraw/zinc/67/53/47/384675347.db2.gz BTYXBNVIWJXUHD-BXUZGUMPSA-N 0 3 238.334 3.438 20 0 BGADHN C[C@H](N[C@H]1CC12CC2)c1nccc2ccccc21 ZINC000335247273 384674703 /nfs/dbraw/zinc/67/47/03/384674703.db2.gz BTYXBNVIWJXUHD-FZMZJTMJSA-N 0 3 238.334 3.438 20 0 BGADHN C[C@@H](N[C@H]1CC12CC2)c1nccc2ccccc21 ZINC000335247275 384675135 /nfs/dbraw/zinc/67/51/35/384675135.db2.gz BTYXBNVIWJXUHD-RISCZKNCSA-N 0 3 238.334 3.438 20 0 BGADHN C[C@H](N[C@@H]1CC12CC2)c1nccc2ccccc21 ZINC000335247277 384674887 /nfs/dbraw/zinc/67/48/87/384674887.db2.gz BTYXBNVIWJXUHD-SMDDNHRTSA-N 0 3 238.334 3.438 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CC23CC3)cs1 ZINC000335247289 384674651 /nfs/dbraw/zinc/67/46/51/384674651.db2.gz BZBFZWNXAWVVJQ-GXSJLCMTSA-N 0 3 207.342 3.260 20 0 BGADHN Cc1cc([C@@H](C)N[C@H]2CC23CC3)cs1 ZINC000335247304 384677557 /nfs/dbraw/zinc/67/75/57/384677557.db2.gz BZBFZWNXAWVVJQ-KOLCDFICSA-N 0 3 207.342 3.260 20 0 BGADHN Cc1cc([C@@H](C)N[C@@H]2CC23CC3)cs1 ZINC000335247305 384679105 /nfs/dbraw/zinc/67/91/05/384679105.db2.gz BZBFZWNXAWVVJQ-MWLCHTKSSA-N 0 3 207.342 3.260 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2CC23CC3)cs1 ZINC000335247308 384677748 /nfs/dbraw/zinc/67/77/48/384677748.db2.gz BZBFZWNXAWVVJQ-ONGXEEELSA-N 0 3 207.342 3.260 20 0 BGADHN Cc1cc([C@@H](C)N[C@@H]2CC23CC3)oc1C ZINC000335250200 384677483 /nfs/dbraw/zinc/67/74/83/384677483.db2.gz UKASGENZXQLHLQ-BXKDBHETSA-N 0 3 205.301 3.100 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2CC23CC3)oc1C ZINC000335250226 384679361 /nfs/dbraw/zinc/67/93/61/384679361.db2.gz UKASGENZXQLHLQ-CABZTGNLSA-N 0 3 205.301 3.100 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CC23CC3)oc1C ZINC000335250228 384677720 /nfs/dbraw/zinc/67/77/20/384677720.db2.gz UKASGENZXQLHLQ-JOYOIKCWSA-N 0 3 205.301 3.100 20 0 BGADHN Cc1cc([C@@H](C)N[C@H]2CC23CC3)oc1C ZINC000335250230 384680121 /nfs/dbraw/zinc/68/01/21/384680121.db2.gz UKASGENZXQLHLQ-SKDRFNHKSA-N 0 3 205.301 3.100 20 0 BGADHN Cc1nn(C(C)C)cc1CN1CCCC1(C)C ZINC000335257073 355192826 /nfs/dbraw/zinc/19/28/26/355192826.db2.gz ZSKCQMHXBMMPIK-UHFFFAOYSA-N 0 3 235.375 3.147 20 0 BGADHN Cc1nn(C(C)C)cc1CN1CC[C@H](C)[C@@H]1C ZINC000335257797 355194609 /nfs/dbraw/zinc/19/46/09/355194609.db2.gz PZXNWLHTALCMBV-AAEUAGOBSA-N 0 3 235.375 3.003 20 0 BGADHN Cc1nn(C(C)C)cc1CN1CC[C@@H](C)[C@H]1C ZINC000335257799 355194619 /nfs/dbraw/zinc/19/46/19/355194619.db2.gz PZXNWLHTALCMBV-DGCLKSJQSA-N 0 3 235.375 3.003 20 0 BGADHN Cc1nn(C(C)C)cc1CN1CC[C@H](C)[C@H]1C ZINC000335257801 355194568 /nfs/dbraw/zinc/19/45/68/355194568.db2.gz PZXNWLHTALCMBV-WCQYABFASA-N 0 3 235.375 3.003 20 0 BGADHN Cc1nn(C(C)C)cc1CN1CC[C@@H](C)[C@@H]1C ZINC000335257803 355194649 /nfs/dbraw/zinc/19/46/49/355194649.db2.gz PZXNWLHTALCMBV-YPMHNXCESA-N 0 3 235.375 3.003 20 0 BGADHN C[C@H]1C[C@H](C)N1Cc1ccc2ncccc2c1 ZINC000335265312 133815581 /nfs/dbraw/zinc/81/55/81/133815581.db2.gz UQRZAWXYSVIVDP-RYUDHWBXSA-N 0 3 226.323 3.218 20 0 BGADHN C[C@@H]1C[C@H](C)N1Cc1ccc2ncccc2c1 ZINC000335265314 386299918 /nfs/dbraw/zinc/29/99/18/386299918.db2.gz UQRZAWXYSVIVDP-TXEJJXNPSA-N 0 3 226.323 3.218 20 0 BGADHN C[C@@H]1C[C@@H](C)N1Cc1ccc2ncccc2c1 ZINC000335265316 386299225 /nfs/dbraw/zinc/29/92/25/386299225.db2.gz UQRZAWXYSVIVDP-VXGBXAGGSA-N 0 3 226.323 3.218 20 0 BGADHN Cc1ccc(CN2CCC(C)(C(C)C)CC2)nn1 ZINC000335268801 386351449 /nfs/dbraw/zinc/35/14/49/386351449.db2.gz HVDSXGCWRSKQSK-UHFFFAOYSA-N 0 3 247.386 3.043 20 0 BGADHN C[C@@H]1C[C@H](C)N1Cc1scnc1C1CC1 ZINC000335271909 538094310 /nfs/dbraw/zinc/09/43/10/538094310.db2.gz JPOUCZGOOOCYKJ-DTORHVGOSA-N 0 3 222.357 3.003 20 0 BGADHN C[C@H]1C[C@H](C)N1Cc1scnc1C1CC1 ZINC000335271910 538094268 /nfs/dbraw/zinc/09/42/68/538094268.db2.gz JPOUCZGOOOCYKJ-IUCAKERBSA-N 0 3 222.357 3.003 20 0 BGADHN C[C@@H]1C[C@@H](C)N1Cc1scnc1C1CC1 ZINC000335271912 538094347 /nfs/dbraw/zinc/09/43/47/538094347.db2.gz JPOUCZGOOOCYKJ-RKDXNWHRSA-N 0 3 222.357 3.003 20 0 BGADHN Cc1nn(C(C)(C)C)c(C)c1CN1[C@H](C)C[C@H]1C ZINC000335272451 386363839 /nfs/dbraw/zinc/36/38/39/386363839.db2.gz UDSKOTHOBRARHN-GHMZBOCLSA-N 0 3 249.402 3.238 20 0 BGADHN Cc1nn(C(C)(C)C)c(C)c1CN1[C@H](C)C[C@@H]1C ZINC000335272452 386363509 /nfs/dbraw/zinc/36/35/09/386363509.db2.gz UDSKOTHOBRARHN-PHIMTYICSA-N 0 3 249.402 3.238 20 0 BGADHN Cc1nn(C(C)(C)C)c(C)c1CN1[C@@H](C)C[C@@H]1C ZINC000335272453 386363462 /nfs/dbraw/zinc/36/34/62/386363462.db2.gz UDSKOTHOBRARHN-QWRGUYRKSA-N 0 3 249.402 3.238 20 0 BGADHN C[C@@H](N[C@H]1CC12CC2)c1ccc2ccccc2n1 ZINC000335275536 384718076 /nfs/dbraw/zinc/71/80/76/384718076.db2.gz CEOKXDNWABWXMY-ABAIWWIYSA-N 0 3 238.334 3.438 20 0 BGADHN C[C@@H](N[C@@H]1CC12CC2)c1ccc2ccccc2n1 ZINC000335275540 384717984 /nfs/dbraw/zinc/71/79/84/384717984.db2.gz CEOKXDNWABWXMY-IAQYHMDHSA-N 0 3 238.334 3.438 20 0 BGADHN C[C@H](N[C@H]1CC12CC2)c1ccc2ccccc2n1 ZINC000335275546 384719998 /nfs/dbraw/zinc/71/99/98/384719998.db2.gz CEOKXDNWABWXMY-NHYWBVRUSA-N 0 3 238.334 3.438 20 0 BGADHN C[C@H](N[C@@H]1CC12CC2)c1ccc2ccccc2n1 ZINC000335275551 384720273 /nfs/dbraw/zinc/72/02/73/384720273.db2.gz CEOKXDNWABWXMY-XHDPSFHLSA-N 0 3 238.334 3.438 20 0 BGADHN Fc1ccc2c(c1)[C@@H](N[C@@H]1CC13CC3)CCCO2 ZINC000335275726 384719311 /nfs/dbraw/zinc/71/93/11/384719311.db2.gz CWFVUHSIHOHAIC-GXTWGEPZSA-N 0 3 247.313 3.182 20 0 BGADHN Fc1ccc2c(c1)[C@@H](N[C@H]1CC13CC3)CCCO2 ZINC000335275728 384718864 /nfs/dbraw/zinc/71/88/64/384718864.db2.gz CWFVUHSIHOHAIC-JSGCOSHPSA-N 0 3 247.313 3.182 20 0 BGADHN Fc1ccc2c(c1)[C@H](N[C@H]1CC13CC3)CCCO2 ZINC000335275731 384719708 /nfs/dbraw/zinc/71/97/08/384719708.db2.gz CWFVUHSIHOHAIC-OCCSQVGLSA-N 0 3 247.313 3.182 20 0 BGADHN Fc1ccc2c(c1)[C@H](N[C@@H]1CC13CC3)CCCO2 ZINC000335275734 384719021 /nfs/dbraw/zinc/71/90/21/384719021.db2.gz CWFVUHSIHOHAIC-TZMCWYRMSA-N 0 3 247.313 3.182 20 0 BGADHN c1ccc2c(c1)SCC[C@@H]2N[C@H]1CC12CC2 ZINC000335275981 384708931 /nfs/dbraw/zinc/70/89/31/384708931.db2.gz CTIHDQROQBKANJ-AAEUAGOBSA-N 0 3 231.364 3.366 20 0 BGADHN c1ccc2c(c1)SCC[C@H]2N[C@@H]1CC12CC2 ZINC000335275991 384707185 /nfs/dbraw/zinc/70/71/85/384707185.db2.gz CTIHDQROQBKANJ-DGCLKSJQSA-N 0 3 231.364 3.366 20 0 BGADHN c1ccc2c(c1)SCC[C@@H]2N[C@@H]1CC12CC2 ZINC000335275993 384708062 /nfs/dbraw/zinc/70/80/62/384708062.db2.gz CTIHDQROQBKANJ-WCQYABFASA-N 0 3 231.364 3.366 20 0 BGADHN c1ccc2c(c1)SCC[C@H]2N[C@H]1CC12CC2 ZINC000335275995 384707296 /nfs/dbraw/zinc/70/72/96/384707296.db2.gz CTIHDQROQBKANJ-YPMHNXCESA-N 0 3 231.364 3.366 20 0 BGADHN c1oc2ccccc2c1CN[C@@H]1CC12CC2 ZINC000335276042 384707577 /nfs/dbraw/zinc/70/75/77/384707577.db2.gz DIFDWJGNLVZHRT-CYBMUJFWSA-N 0 3 213.280 3.075 20 0 BGADHN c1oc2ccccc2c1CN[C@H]1CC12CC2 ZINC000335276043 384708858 /nfs/dbraw/zinc/70/88/58/384708858.db2.gz DIFDWJGNLVZHRT-ZDUSSCGKSA-N 0 3 213.280 3.075 20 0 BGADHN C[C@@H](N[C@H]1CC12CC2)c1ccc(F)cc1F ZINC000335277008 384708109 /nfs/dbraw/zinc/70/81/09/384708109.db2.gz GHUSYHKJYWDODB-PELKAZGASA-N 0 3 223.266 3.168 20 0 BGADHN C[C@@H](N[C@@H]1CC12CC2)c1ccc(F)cc1F ZINC000335277011 384707333 /nfs/dbraw/zinc/70/73/33/384707333.db2.gz GHUSYHKJYWDODB-PRHODGIISA-N 0 3 223.266 3.168 20 0 BGADHN C[C@H](N[C@@H]1CC12CC2)c1ccc(F)cc1F ZINC000335277013 386158147 /nfs/dbraw/zinc/15/81/47/386158147.db2.gz GHUSYHKJYWDODB-QPUJVOFHSA-N 0 3 223.266 3.168 20 0 BGADHN C[C@H](N[C@H]1CC12CC2)c1ccc(F)cc1F ZINC000335277016 384709048 /nfs/dbraw/zinc/70/90/48/384709048.db2.gz GHUSYHKJYWDODB-UFBFGSQYSA-N 0 3 223.266 3.168 20 0 BGADHN C[C@@H](N[C@H]1CC12CC2)c1cc(F)ccc1F ZINC000335277039 386159950 /nfs/dbraw/zinc/15/99/50/386159950.db2.gz GQRIPZFOWHRKQX-PELKAZGASA-N 0 3 223.266 3.168 20 0 BGADHN C[C@@H](N[C@@H]1CC12CC2)c1cc(F)ccc1F ZINC000335277040 384708194 /nfs/dbraw/zinc/70/81/94/384708194.db2.gz GQRIPZFOWHRKQX-PRHODGIISA-N 0 3 223.266 3.168 20 0 BGADHN C[C@H](N[C@@H]1CC12CC2)c1cc(F)ccc1F ZINC000335277042 384709014 /nfs/dbraw/zinc/70/90/14/384709014.db2.gz GQRIPZFOWHRKQX-QPUJVOFHSA-N 0 3 223.266 3.168 20 0 BGADHN C[C@H](N[C@H]1CC12CC2)c1cc(F)ccc1F ZINC000335277044 384708273 /nfs/dbraw/zinc/70/82/73/384708273.db2.gz GQRIPZFOWHRKQX-UFBFGSQYSA-N 0 3 223.266 3.168 20 0 BGADHN C[C@@H](N[C@@H]1CC12CC2)c1cnc2ccsc2c1 ZINC000335277493 384706942 /nfs/dbraw/zinc/70/69/42/384706942.db2.gz IJHQYBCICVHUIT-NOZJJQNGSA-N 0 3 244.363 3.499 20 0 BGADHN C[C@@H](N[C@H]1CC12CC2)c1cnc2ccsc2c1 ZINC000335277494 384706723 /nfs/dbraw/zinc/70/67/23/384706723.db2.gz IJHQYBCICVHUIT-RNCFNFMXSA-N 0 3 244.363 3.499 20 0 BGADHN C[C@H](N[C@@H]1CC12CC2)c1cnc2ccsc2c1 ZINC000335277496 384707021 /nfs/dbraw/zinc/70/70/21/384707021.db2.gz IJHQYBCICVHUIT-TVQRCGJNSA-N 0 3 244.363 3.499 20 0 BGADHN C[C@H](N[C@H]1CC12CC2)c1cnc2ccsc2c1 ZINC000335277498 384708286 /nfs/dbraw/zinc/70/82/86/384708286.db2.gz IJHQYBCICVHUIT-ZANVPECISA-N 0 3 244.363 3.499 20 0 BGADHN Cc1cc([C@@H](C)N[C@@H]2CC23CC3)c(C)o1 ZINC000335277632 384707107 /nfs/dbraw/zinc/70/71/07/384707107.db2.gz KNOPIEDRFGISBV-BXKDBHETSA-N 0 3 205.301 3.100 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2CC23CC3)c(C)o1 ZINC000335277633 384708453 /nfs/dbraw/zinc/70/84/53/384708453.db2.gz KNOPIEDRFGISBV-CABZTGNLSA-N 0 3 205.301 3.100 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CC23CC3)c(C)o1 ZINC000335277634 384708829 /nfs/dbraw/zinc/70/88/29/384708829.db2.gz KNOPIEDRFGISBV-JOYOIKCWSA-N 0 3 205.301 3.100 20 0 BGADHN Cc1cc([C@@H](C)N[C@H]2CC23CC3)c(C)o1 ZINC000335277635 384707858 /nfs/dbraw/zinc/70/78/58/384707858.db2.gz KNOPIEDRFGISBV-SKDRFNHKSA-N 0 3 205.301 3.100 20 0 BGADHN C[C@@H](N[C@H]1CC12CC2)c1ccc(F)c(F)c1 ZINC000335277936 384706109 /nfs/dbraw/zinc/70/61/09/384706109.db2.gz KASGZSZORBXSFT-PELKAZGASA-N 0 3 223.266 3.168 20 0 BGADHN C[C@@H](N[C@@H]1CC12CC2)c1ccc(F)c(F)c1 ZINC000335277940 384706288 /nfs/dbraw/zinc/70/62/88/384706288.db2.gz KASGZSZORBXSFT-PRHODGIISA-N 0 3 223.266 3.168 20 0 BGADHN C[C@H](N[C@@H]1CC12CC2)c1ccc(F)c(F)c1 ZINC000335277944 384707561 /nfs/dbraw/zinc/70/75/61/384707561.db2.gz KASGZSZORBXSFT-QPUJVOFHSA-N 0 3 223.266 3.168 20 0 BGADHN C[C@H](N[C@H]1CC12CC2)c1ccc(F)c(F)c1 ZINC000335277947 384706162 /nfs/dbraw/zinc/70/61/62/384706162.db2.gz KASGZSZORBXSFT-UFBFGSQYSA-N 0 3 223.266 3.168 20 0 BGADHN C[C@@H](N[C@@H]1CC12CC2)c1ccc(F)cc1 ZINC000335279013 384709837 /nfs/dbraw/zinc/70/98/37/384709837.db2.gz OIHSHOBYNWUSAC-BXKDBHETSA-N 0 3 205.276 3.029 20 0 BGADHN C[C@H](N[C@H]1CC12CC2)c1ccc(F)cc1 ZINC000335279014 384712358 /nfs/dbraw/zinc/71/23/58/384712358.db2.gz OIHSHOBYNWUSAC-CABZTGNLSA-N 0 3 205.276 3.029 20 0 BGADHN C[C@H](N[C@@H]1CC12CC2)c1ccc(F)cc1 ZINC000335279015 384710537 /nfs/dbraw/zinc/71/05/37/384710537.db2.gz OIHSHOBYNWUSAC-JOYOIKCWSA-N 0 3 205.276 3.029 20 0 BGADHN C[C@@H](N[C@H]1CC12CC2)c1ccc(F)cc1 ZINC000335279017 384710264 /nfs/dbraw/zinc/71/02/64/384710264.db2.gz OIHSHOBYNWUSAC-SKDRFNHKSA-N 0 3 205.276 3.029 20 0 BGADHN Fc1ccc2c(c1)OCCC[C@@H]2N[C@@H]1CC12CC2 ZINC000335279553 386160529 /nfs/dbraw/zinc/16/05/29/386160529.db2.gz RSDHTJHNOKNNDU-GXTWGEPZSA-N 0 3 247.313 3.182 20 0 BGADHN Fc1ccc2c(c1)OCCC[C@@H]2N[C@H]1CC12CC2 ZINC000335279554 384710911 /nfs/dbraw/zinc/71/09/11/384710911.db2.gz RSDHTJHNOKNNDU-JSGCOSHPSA-N 0 3 247.313 3.182 20 0 BGADHN Fc1ccc2c(c1)OCCC[C@H]2N[C@H]1CC12CC2 ZINC000335279555 133832282 /nfs/dbraw/zinc/83/22/82/133832282.db2.gz RSDHTJHNOKNNDU-OCCSQVGLSA-N 0 3 247.313 3.182 20 0 BGADHN Fc1ccc2c(c1)OCCC[C@H]2N[C@@H]1CC12CC2 ZINC000335279556 384711244 /nfs/dbraw/zinc/71/12/44/384711244.db2.gz RSDHTJHNOKNNDU-TZMCWYRMSA-N 0 3 247.313 3.182 20 0 BGADHN C[C@H](N[C@H]1CC12CC2)c1cc(F)c(F)c(F)c1 ZINC000335279996 384710247 /nfs/dbraw/zinc/71/02/47/384710247.db2.gz QDNMEZXEFYCMHI-CPCISQLKSA-N 0 3 241.256 3.307 20 0 BGADHN C[C@@H](N[C@H]1CC12CC2)c1cc(F)c(F)c(F)c1 ZINC000335279997 133832044 /nfs/dbraw/zinc/83/20/44/133832044.db2.gz QDNMEZXEFYCMHI-HQJQHLMTSA-N 0 3 241.256 3.307 20 0 BGADHN C[C@@H](N[C@@H]1CC12CC2)c1cc(F)c(F)c(F)c1 ZINC000335279998 384710727 /nfs/dbraw/zinc/71/07/27/384710727.db2.gz QDNMEZXEFYCMHI-RDDDGLTNSA-N 0 3 241.256 3.307 20 0 BGADHN C[C@H](N[C@@H]1CC12CC2)c1cc(F)c(F)c(F)c1 ZINC000335279999 384711093 /nfs/dbraw/zinc/71/10/93/384711093.db2.gz QDNMEZXEFYCMHI-WRWORJQWSA-N 0 3 241.256 3.307 20 0 BGADHN Cc1nc2ccc(CN[C@@H]3CC34CC4)cc2s1 ZINC000335280494 384711770 /nfs/dbraw/zinc/71/17/70/384711770.db2.gz MKUDYACYUVGKEM-CYBMUJFWSA-N 0 3 244.363 3.247 20 0 BGADHN Cc1nc2ccc(CN[C@H]3CC34CC4)cc2s1 ZINC000335280495 384712453 /nfs/dbraw/zinc/71/24/53/384712453.db2.gz MKUDYACYUVGKEM-ZDUSSCGKSA-N 0 3 244.363 3.247 20 0 BGADHN c1ccc2c(c1)OCCC[C@@H]2N[C@@H]1CC12CC2 ZINC000335280548 384712430 /nfs/dbraw/zinc/71/24/30/384712430.db2.gz VLVRLHFVXYQFSH-GXTWGEPZSA-N 0 3 229.323 3.042 20 0 BGADHN c1ccc2c(c1)OCCC[C@@H]2N[C@H]1CC12CC2 ZINC000335280549 384710007 /nfs/dbraw/zinc/71/00/07/384710007.db2.gz VLVRLHFVXYQFSH-JSGCOSHPSA-N 0 3 229.323 3.042 20 0 BGADHN c1ccc2c(c1)OCCC[C@H]2N[C@H]1CC12CC2 ZINC000335280550 384710095 /nfs/dbraw/zinc/71/00/95/384710095.db2.gz VLVRLHFVXYQFSH-OCCSQVGLSA-N 0 3 229.323 3.042 20 0 BGADHN c1ccc2c(c1)OCCC[C@H]2N[C@@H]1CC12CC2 ZINC000335280551 384710424 /nfs/dbraw/zinc/71/04/24/384710424.db2.gz VLVRLHFVXYQFSH-TZMCWYRMSA-N 0 3 229.323 3.042 20 0 BGADHN Fc1ccc(F)c2c1CC[C@H]2N[C@H]1CC12CC2 ZINC000335280586 384713943 /nfs/dbraw/zinc/71/39/43/384713943.db2.gz WQLNLAWMKMKJRG-NEPJUHHUSA-N 0 3 235.277 3.094 20 0 BGADHN Fc1ccc(F)c2c1CC[C@@H]2N[C@@H]1CC12CC2 ZINC000335280587 384714465 /nfs/dbraw/zinc/71/44/65/384714465.db2.gz WQLNLAWMKMKJRG-NWDGAFQWSA-N 0 3 235.277 3.094 20 0 BGADHN Fc1ccc(F)c2c1CC[C@@H]2N[C@H]1CC12CC2 ZINC000335280588 384715483 /nfs/dbraw/zinc/71/54/83/384715483.db2.gz WQLNLAWMKMKJRG-RYUDHWBXSA-N 0 3 235.277 3.094 20 0 BGADHN Fc1ccc(F)c2c1CC[C@H]2N[C@@H]1CC12CC2 ZINC000335280589 384716276 /nfs/dbraw/zinc/71/62/76/384716276.db2.gz WQLNLAWMKMKJRG-VXGBXAGGSA-N 0 3 235.277 3.094 20 0 BGADHN CCc1nc2c(s1)[C@@H](N[C@@H]1CC13CC3)CCC2 ZINC000335280602 384707213 /nfs/dbraw/zinc/70/72/13/384707213.db2.gz XCZWTRYTIKPGJP-GXSJLCMTSA-N 0 3 248.395 3.225 20 0 BGADHN CCc1nc2c(s1)[C@H](N[C@H]1CC13CC3)CCC2 ZINC000335280603 384707636 /nfs/dbraw/zinc/70/76/36/384707636.db2.gz XCZWTRYTIKPGJP-KOLCDFICSA-N 0 3 248.395 3.225 20 0 BGADHN CCc1nc2c(s1)[C@H](N[C@@H]1CC13CC3)CCC2 ZINC000335280604 384712343 /nfs/dbraw/zinc/71/23/43/384712343.db2.gz XCZWTRYTIKPGJP-MWLCHTKSSA-N 0 3 248.395 3.225 20 0 BGADHN C[C@@H](N[C@H]1CC12CC2)c1cc(F)cc(F)c1 ZINC000335280880 386165542 /nfs/dbraw/zinc/16/55/42/386165542.db2.gz VIFGLOWQVHQDEA-PELKAZGASA-N 0 3 223.266 3.168 20 0 BGADHN C[C@@H](N[C@@H]1CC12CC2)c1cc(F)cc(F)c1 ZINC000335280881 384710354 /nfs/dbraw/zinc/71/03/54/384710354.db2.gz VIFGLOWQVHQDEA-PRHODGIISA-N 0 3 223.266 3.168 20 0 BGADHN C[C@H](N[C@@H]1CC12CC2)c1cc(F)cc(F)c1 ZINC000335280883 384711868 /nfs/dbraw/zinc/71/18/68/384711868.db2.gz VIFGLOWQVHQDEA-QPUJVOFHSA-N 0 3 223.266 3.168 20 0 BGADHN C[C@H](N[C@H]1CC12CC2)c1cc(F)cc(F)c1 ZINC000335280885 398279027 /nfs/dbraw/zinc/27/90/27/398279027.db2.gz VIFGLOWQVHQDEA-UFBFGSQYSA-N 0 3 223.266 3.168 20 0 BGADHN C[C@@H](N[C@@H]1CC12CC2)c1ccccc1F ZINC000335281314 398278736 /nfs/dbraw/zinc/27/87/36/398278736.db2.gz NAWCFXMKXOQIJV-BXKDBHETSA-N 0 3 205.276 3.029 20 0 BGADHN C[C@H](N[C@H]1CC12CC2)c1ccccc1F ZINC000335281317 398278772 /nfs/dbraw/zinc/27/87/72/398278772.db2.gz NAWCFXMKXOQIJV-CABZTGNLSA-N 0 3 205.276 3.029 20 0 BGADHN C[C@H](N[C@@H]1CC12CC2)c1ccccc1F ZINC000335281319 398279110 /nfs/dbraw/zinc/27/91/10/398279110.db2.gz NAWCFXMKXOQIJV-JOYOIKCWSA-N 0 3 205.276 3.029 20 0 BGADHN C[C@@H](N[C@H]1CC12CC2)c1ccccc1F ZINC000335281322 384715452 /nfs/dbraw/zinc/71/54/52/384715452.db2.gz NAWCFXMKXOQIJV-SKDRFNHKSA-N 0 3 205.276 3.029 20 0 BGADHN Clc1ccsc1CN[C@@H]1CC12CC2 ZINC000335281535 384714966 /nfs/dbraw/zinc/71/49/66/384714966.db2.gz PZXAFWDVXXNMER-SECBINFHSA-N 0 3 213.733 3.044 20 0 BGADHN CCc1nc2c(s1)[C@@H](N[C@H]1CC13CC3)CCC2 ZINC000335281760 384716379 /nfs/dbraw/zinc/71/63/79/384716379.db2.gz XCZWTRYTIKPGJP-ONGXEEELSA-N 0 3 248.395 3.225 20 0 BGADHN C[C@H](N[C@@H]1CC12CC2)c1cccc(F)c1F ZINC000335281778 384715772 /nfs/dbraw/zinc/71/57/72/384715772.db2.gz YBVJEPADSLWXIG-GZMMTYOYSA-N 0 3 223.266 3.168 20 0 BGADHN C[C@@H](N[C@H]1CC12CC2)c1cccc(F)c1F ZINC000335281779 384715308 /nfs/dbraw/zinc/71/53/08/384715308.db2.gz YBVJEPADSLWXIG-KCJUWKMLSA-N 0 3 223.266 3.168 20 0 BGADHN C[C@H](N[C@H]1CC12CC2)c1cccc(F)c1F ZINC000335281780 384714904 /nfs/dbraw/zinc/71/49/04/384714904.db2.gz YBVJEPADSLWXIG-KWQFWETISA-N 0 3 223.266 3.168 20 0 BGADHN C[C@@H](N[C@@H]1CC12CC2)c1cccc(F)c1F ZINC000335281781 384714612 /nfs/dbraw/zinc/71/46/12/384714612.db2.gz YBVJEPADSLWXIG-LDYMZIIASA-N 0 3 223.266 3.168 20 0 BGADHN C[C@@H](N[C@@H]1CC12CC2)c1cccc(F)c1 ZINC000335281875 386167533 /nfs/dbraw/zinc/16/75/33/386167533.db2.gz XUCGERBAGCJXEL-BXKDBHETSA-N 0 3 205.276 3.029 20 0 BGADHN C[C@H](N[C@H]1CC12CC2)c1cccc(F)c1 ZINC000335281876 136000114 /nfs/dbraw/zinc/00/01/14/136000114.db2.gz XUCGERBAGCJXEL-CABZTGNLSA-N 0 3 205.276 3.029 20 0 BGADHN C[C@H](N[C@@H]1CC12CC2)c1cccc(F)c1 ZINC000335281877 136000058 /nfs/dbraw/zinc/00/00/58/136000058.db2.gz XUCGERBAGCJXEL-JOYOIKCWSA-N 0 3 205.276 3.029 20 0 BGADHN C[C@@H](N[C@H]1CC12CC2)c1cccc(F)c1 ZINC000335281878 136000250 /nfs/dbraw/zinc/00/02/50/136000250.db2.gz XUCGERBAGCJXEL-SKDRFNHKSA-N 0 3 205.276 3.029 20 0 BGADHN Clc1ccsc1CN[C@H]1CC12CC2 ZINC000335282244 136000154 /nfs/dbraw/zinc/00/01/54/136000154.db2.gz PZXAFWDVXXNMER-VIFPVBQESA-N 0 3 213.733 3.044 20 0 BGADHN Clc1csc(CN[C@@H]2CC23CC3)c1 ZINC000335282837 136000420 /nfs/dbraw/zinc/00/04/20/136000420.db2.gz VMURTSPSZOWNMA-SECBINFHSA-N 0 3 213.733 3.044 20 0 BGADHN Clc1csc(CN[C@H]2CC23CC3)c1 ZINC000335282839 136000793 /nfs/dbraw/zinc/00/07/93/136000793.db2.gz VMURTSPSZOWNMA-VIFPVBQESA-N 0 3 213.733 3.044 20 0 BGADHN Cc1cc(CN[C@@H]2CC23CC3)c(C)s1 ZINC000335284515 178034093 /nfs/dbraw/zinc/03/40/93/178034093.db2.gz FKWGYZUSBXOWSY-LLVKDONJSA-N 0 3 207.342 3.007 20 0 BGADHN Cc1cc(CN[C@H]2CC23CC3)c(C)s1 ZINC000335284516 136001859 /nfs/dbraw/zinc/00/18/59/136001859.db2.gz FKWGYZUSBXOWSY-NSHDSACASA-N 0 3 207.342 3.007 20 0 BGADHN Clc1ccc(CN[C@@H]2CC23CC3)s1 ZINC000335284539 136002176 /nfs/dbraw/zinc/00/21/76/136002176.db2.gz KFBHWLPFAJGMRA-MRVPVSSYSA-N 0 3 213.733 3.044 20 0 BGADHN Clc1ccc(CN[C@H]2CC23CC3)s1 ZINC000335284541 136001946 /nfs/dbraw/zinc/00/19/46/136001946.db2.gz KFBHWLPFAJGMRA-QMMMGPOBSA-N 0 3 213.733 3.044 20 0 BGADHN c1c2ccccc2oc1CN[C@@H]1CC12CC2 ZINC000335285730 384724122 /nfs/dbraw/zinc/72/41/22/384724122.db2.gz ZDNMWGZDDGIVIT-CYBMUJFWSA-N 0 3 213.280 3.075 20 0 BGADHN c1c2ccccc2oc1CN[C@H]1CC12CC2 ZINC000335285731 384721413 /nfs/dbraw/zinc/72/14/13/384721413.db2.gz ZDNMWGZDDGIVIT-ZDUSSCGKSA-N 0 3 213.280 3.075 20 0 BGADHN Fc1ccc2oc(CN[C@@H]3CC34CC4)cc2c1 ZINC000335286336 136002583 /nfs/dbraw/zinc/00/25/83/136002583.db2.gz PIPFDDNGOKEDSL-CYBMUJFWSA-N 0 3 231.270 3.214 20 0 BGADHN Fc1ccc2oc(CN[C@H]3CC34CC4)cc2c1 ZINC000335286337 136002775 /nfs/dbraw/zinc/00/27/75/136002775.db2.gz PIPFDDNGOKEDSL-ZDUSSCGKSA-N 0 3 231.270 3.214 20 0 BGADHN Fc1cc2cccnc2c(CN[C@@H]2CC23CC3)c1 ZINC000335286524 384722738 /nfs/dbraw/zinc/72/27/38/384722738.db2.gz UICVATZIKKLLBQ-CYBMUJFWSA-N 0 3 242.297 3.016 20 0 BGADHN Fc1cc2cccnc2c(CN[C@H]2CC23CC3)c1 ZINC000335286525 384724167 /nfs/dbraw/zinc/72/41/67/384724167.db2.gz UICVATZIKKLLBQ-ZDUSSCGKSA-N 0 3 242.297 3.016 20 0 BGADHN Cc1ccc2c(c1)CN(C[C@H]1CCO[C@@H](C)C1)C2 ZINC000335291575 491122447 /nfs/dbraw/zinc/12/24/47/491122447.db2.gz GNQXRWCTVMMBKZ-KBPBESRZSA-N 0 3 245.366 3.126 20 0 BGADHN Cc1ccc2c(c1)CN(C[C@H]1CCO[C@H](C)C1)C2 ZINC000335291576 491122440 /nfs/dbraw/zinc/12/24/40/491122440.db2.gz GNQXRWCTVMMBKZ-KGLIPLIRSA-N 0 3 245.366 3.126 20 0 BGADHN Cc1ccc2c(c1)CN(C[C@@H]1CCO[C@@H](C)C1)C2 ZINC000335291577 491122490 /nfs/dbraw/zinc/12/24/90/491122490.db2.gz GNQXRWCTVMMBKZ-UONOGXRCSA-N 0 3 245.366 3.126 20 0 BGADHN Cc1ccc2c(c1)CN(C[C@@H]1CCO[C@H](C)C1)C2 ZINC000335291578 491122434 /nfs/dbraw/zinc/12/24/34/491122434.db2.gz GNQXRWCTVMMBKZ-ZIAGYGMSSA-N 0 3 245.366 3.126 20 0 BGADHN C[C@@H](c1ccccn1)N1CCC(C(F)F)CC1 ZINC000335291660 176027883 /nfs/dbraw/zinc/02/78/83/176027883.db2.gz SCLUNWHCGXWJCJ-JTQLQIEISA-N 0 3 240.297 3.120 20 0 BGADHN C[C@H](c1ccccn1)N1CCC(C(F)F)CC1 ZINC000335291661 177043704 /nfs/dbraw/zinc/04/37/04/177043704.db2.gz SCLUNWHCGXWJCJ-SNVBAGLBSA-N 0 3 240.297 3.120 20 0 BGADHN c1ccc2c(c1)COC[C@H]2N[C@H]1CCC12CCC2 ZINC000335303762 136021575 /nfs/dbraw/zinc/02/15/75/136021575.db2.gz QRWPZHNXCHMWRI-CABCVRRESA-N 0 3 243.350 3.180 20 0 BGADHN c1ccc2c(c1)COC[C@@H]2N[C@H]1CCC12CCC2 ZINC000335303765 136021402 /nfs/dbraw/zinc/02/14/02/136021402.db2.gz QRWPZHNXCHMWRI-GJZGRUSLSA-N 0 3 243.350 3.180 20 0 BGADHN c1ccc2c(c1)COC[C@H]2N[C@@H]1CCC12CCC2 ZINC000335303768 136021643 /nfs/dbraw/zinc/02/16/43/136021643.db2.gz QRWPZHNXCHMWRI-HUUCEWRRSA-N 0 3 243.350 3.180 20 0 BGADHN c1ccc2c(c1)COC[C@@H]2N[C@@H]1CCC12CCC2 ZINC000335303770 136021729 /nfs/dbraw/zinc/02/17/29/136021729.db2.gz QRWPZHNXCHMWRI-LSDHHAIUSA-N 0 3 243.350 3.180 20 0 BGADHN Cc1nc(CN2CCCC23CCC3)sc1C ZINC000335310628 136029161 /nfs/dbraw/zinc/02/91/61/136029161.db2.gz NBDNDZXYRMCBLQ-UHFFFAOYSA-N 0 3 236.384 3.278 20 0 BGADHN Cc1nc(CN2CCCC23CCC3)c(C)s1 ZINC000335311877 136030267 /nfs/dbraw/zinc/03/02/67/136030267.db2.gz NUVACALLQCAPQD-UHFFFAOYSA-N 0 3 236.384 3.278 20 0 BGADHN C[C@@H]1CCN(Cc2cncs2)CC12CCC2 ZINC000335313361 136031204 /nfs/dbraw/zinc/03/12/04/136031204.db2.gz LEQMCQLEQKQXOV-LLVKDONJSA-N 0 3 236.384 3.155 20 0 BGADHN C[C@H]1CCN(Cc2cncs2)CC12CCC2 ZINC000335313363 136030854 /nfs/dbraw/zinc/03/08/54/136030854.db2.gz LEQMCQLEQKQXOV-NSHDSACASA-N 0 3 236.384 3.155 20 0 BGADHN Cc1ncccc1CN1CC2(CCC2)[C@@H]1C1CC1 ZINC000335319318 136033707 /nfs/dbraw/zinc/03/37/07/136033707.db2.gz AVGSUXWLAUPWQR-HNNXBMFYSA-N 0 3 242.366 3.155 20 0 BGADHN Cc1ncccc1CN1CC2(CCC2)[C@H]1C1CC1 ZINC000335319322 136033704 /nfs/dbraw/zinc/03/37/04/136033704.db2.gz AVGSUXWLAUPWQR-OAHLLOKOSA-N 0 3 242.366 3.155 20 0 BGADHN CC[C@]1(C)CCN(Cc2scnc2C)C1 ZINC000335328547 535911065 /nfs/dbraw/zinc/91/10/65/535911065.db2.gz OPBLRTFQWWYKNM-GFCCVEGCSA-N 0 3 224.373 3.074 20 0 BGADHN CC[C@@]1(C)CCN(Cc2scnc2C)C1 ZINC000335328558 536050192 /nfs/dbraw/zinc/05/01/92/536050192.db2.gz OPBLRTFQWWYKNM-LBPRGKRZSA-N 0 3 224.373 3.074 20 0 BGADHN CCc1nc(C)c(CN2CCCC(C)(C)C2)o1 ZINC000335340490 136063985 /nfs/dbraw/zinc/06/39/85/136063985.db2.gz AZMPQEMMJWPSQH-UHFFFAOYSA-N 0 3 236.359 3.167 20 0 BGADHN Cc1cnc([C@@H](C)N[C@@H]2CC3CCC2CC3)o1 ZINC000335352665 388450130 /nfs/dbraw/zinc/45/01/30/388450130.db2.gz MVHFCFWFKROTEV-IKWCTNDRSA-N 0 3 234.343 3.212 20 0 BGADHN Cc1cnc([C@H](C)N[C@H]2CC3CCC2CC3)o1 ZINC000335352666 388449904 /nfs/dbraw/zinc/44/99/04/388449904.db2.gz MVHFCFWFKROTEV-WTIISPKJSA-N 0 3 234.343 3.212 20 0 BGADHN Cc1cnc([C@@H](C)N[C@H]2CC3CCC2CC3)o1 ZINC000335352667 388450282 /nfs/dbraw/zinc/45/02/82/388450282.db2.gz MVHFCFWFKROTEV-XVSSEFHLSA-N 0 3 234.343 3.212 20 0 BGADHN Cc1cnc([C@H](C)N[C@@H]2CC3CCC2CC3)o1 ZINC000335352668 388449516 /nfs/dbraw/zinc/44/95/16/388449516.db2.gz MVHFCFWFKROTEV-YWPUVAFDSA-N 0 3 234.343 3.212 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2COC(C)(C)C2)c(C)o1 ZINC000335355855 385346676 /nfs/dbraw/zinc/34/66/76/385346676.db2.gz IRVGIQUGUPMSIP-CMPLNLGQSA-N 0 3 237.343 3.115 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2COC(C)(C)C2)c(C)o1 ZINC000335355856 518187916 /nfs/dbraw/zinc/18/79/16/518187916.db2.gz IRVGIQUGUPMSIP-JQWIXIFHSA-N 0 3 237.343 3.115 20 0 BGADHN Cc1cc([C@@H](C)N[C@@H]2COC(C)(C)C2)c(C)o1 ZINC000335355857 385346348 /nfs/dbraw/zinc/34/63/48/385346348.db2.gz IRVGIQUGUPMSIP-PWSUYJOCSA-N 0 3 237.343 3.115 20 0 BGADHN Cc1cc([C@@H](C)N[C@H]2COC(C)(C)C2)c(C)o1 ZINC000335355858 385347316 /nfs/dbraw/zinc/34/73/16/385347316.db2.gz IRVGIQUGUPMSIP-ZYHUDNBSSA-N 0 3 237.343 3.115 20 0 BGADHN c1coc(CNC2CCC3(CCOCC3)CC2)c1 ZINC000335366867 136082113 /nfs/dbraw/zinc/08/21/13/136082113.db2.gz YESPUMWJNTUQHV-UHFFFAOYSA-N 0 3 249.354 3.109 20 0 BGADHN F[C@@H]1CCC[C@H](NCc2ccc(Cl)o2)C1 ZINC000335371890 136083638 /nfs/dbraw/zinc/08/36/38/136083638.db2.gz JYONWEXCZANGJH-BDAKNGLRSA-N 0 3 231.698 3.303 20 0 BGADHN F[C@H]1CCC[C@@H](NCc2ccc(Cl)o2)C1 ZINC000335371891 136083624 /nfs/dbraw/zinc/08/36/24/136083624.db2.gz JYONWEXCZANGJH-DTWKUNHWSA-N 0 3 231.698 3.303 20 0 BGADHN F[C@H]1CCC[C@H](NCc2ccc(Cl)o2)C1 ZINC000335371892 136083732 /nfs/dbraw/zinc/08/37/32/136083732.db2.gz JYONWEXCZANGJH-IUCAKERBSA-N 0 3 231.698 3.303 20 0 BGADHN F[C@@H]1CCC[C@@H](NCc2ccc(Cl)o2)C1 ZINC000335371893 136083417 /nfs/dbraw/zinc/08/34/17/136083417.db2.gz JYONWEXCZANGJH-RKDXNWHRSA-N 0 3 231.698 3.303 20 0 BGADHN c1cc2cccc(CN3CC4(CC4)C3)c2o1 ZINC000335374917 487621804 /nfs/dbraw/zinc/62/18/04/487621804.db2.gz COAYHMNUIIVLMU-UHFFFAOYSA-N 0 3 213.280 3.029 20 0 BGADHN CC1(F)CC(NCc2cc(F)c(F)c(F)c2)C1 ZINC000335376063 168053029 /nfs/dbraw/zinc/05/30/29/168053029.db2.gz QVMHVCHFOPDUNC-UHFFFAOYSA-N 0 3 247.235 3.084 20 0 BGADHN Cc1cc(CN2CC3(CC3)C2)cc2cccnc12 ZINC000335382686 487621469 /nfs/dbraw/zinc/62/14/69/487621469.db2.gz AESWBMLVIOASGF-UHFFFAOYSA-N 0 3 238.334 3.139 20 0 BGADHN Cc1ccc2cc(CN3CC4(CC4)C3)ccc2n1 ZINC000335383586 487622317 /nfs/dbraw/zinc/62/23/17/487622317.db2.gz ZURXPOWGZUWOSB-UHFFFAOYSA-N 0 3 238.334 3.139 20 0 BGADHN F[C@@H]1CCC[C@H](NCc2cc3cccnc3o2)C1 ZINC000335386985 136089505 /nfs/dbraw/zinc/08/95/05/136089505.db2.gz OOQBNVGDIPEIRI-NEPJUHHUSA-N 0 3 248.301 3.198 20 0 BGADHN F[C@H]1CCC[C@@H](NCc2cc3cccnc3o2)C1 ZINC000335386986 136089313 /nfs/dbraw/zinc/08/93/13/136089313.db2.gz OOQBNVGDIPEIRI-NWDGAFQWSA-N 0 3 248.301 3.198 20 0 BGADHN F[C@H]1CCC[C@H](NCc2cc3cccnc3o2)C1 ZINC000335386987 136089415 /nfs/dbraw/zinc/08/94/15/136089415.db2.gz OOQBNVGDIPEIRI-RYUDHWBXSA-N 0 3 248.301 3.198 20 0 BGADHN F[C@@H]1CCC[C@@H](NCc2cc3cccnc3o2)C1 ZINC000335386988 136089227 /nfs/dbraw/zinc/08/92/27/136089227.db2.gz OOQBNVGDIPEIRI-VXGBXAGGSA-N 0 3 248.301 3.198 20 0 BGADHN Cc1cnc(CN2CC[C@@H]3CCCC[C@@H]32)s1 ZINC000335387998 136089869 /nfs/dbraw/zinc/08/98/69/136089869.db2.gz IYFQMALKDSHJJW-RYUDHWBXSA-N 0 3 236.384 3.216 20 0 BGADHN CC(C)n1nccc1CN1CC[C@@H]2CCCC[C@@H]21 ZINC000335390842 136090419 /nfs/dbraw/zinc/09/04/19/136090419.db2.gz YBDDIYXVYUNVPQ-ZFWWWQNUSA-N 0 3 247.386 3.229 20 0 BGADHN c1nc(CN2CC[C@@H]3CCCC[C@@H]32)oc1C1CC1 ZINC000335390895 136090462 /nfs/dbraw/zinc/09/04/62/136090462.db2.gz ZZDWZDGRAGLCGG-AAEUAGOBSA-N 0 3 246.354 3.317 20 0 BGADHN Cc1ccc(CN2CCC[C@@H](C(C)(C)C)C2)nn1 ZINC000335392514 136091499 /nfs/dbraw/zinc/09/14/99/136091499.db2.gz JAOYVFFJVVFUHM-CYBMUJFWSA-N 0 3 247.386 3.043 20 0 BGADHN Cc1ccc(CN2CCC[C@H](C(C)(C)C)C2)nn1 ZINC000335392515 136091231 /nfs/dbraw/zinc/09/12/31/136091231.db2.gz JAOYVFFJVVFUHM-ZDUSSCGKSA-N 0 3 247.386 3.043 20 0 BGADHN Cc1nc(C)c(CN2CC3(C2)CCCC3)s1 ZINC000335396317 136092490 /nfs/dbraw/zinc/09/24/90/136092490.db2.gz CWSKUVKVFPFASO-UHFFFAOYSA-N 0 3 236.384 3.136 20 0 BGADHN C[C@H]1C[C@@H](NCC2CCCCCC2)c2nccn21 ZINC000335410109 177331188 /nfs/dbraw/zinc/33/11/88/177331188.db2.gz ORQBWFOSXBXMRF-GXTWGEPZSA-N 0 3 247.386 3.449 20 0 BGADHN C[C@H]1C[C@H](NCC2CCCCCC2)c2nccn21 ZINC000335410110 177368791 /nfs/dbraw/zinc/36/87/91/177368791.db2.gz ORQBWFOSXBXMRF-JSGCOSHPSA-N 0 3 247.386 3.449 20 0 BGADHN C[C@@H]1C[C@H](NCC2CCCCCC2)c2nccn21 ZINC000335410111 384262681 /nfs/dbraw/zinc/26/26/81/384262681.db2.gz ORQBWFOSXBXMRF-OCCSQVGLSA-N 0 3 247.386 3.449 20 0 BGADHN C[C@@H]1C[C@@H](NCC2CCCCCC2)c2nccn21 ZINC000335410112 176375113 /nfs/dbraw/zinc/37/51/13/176375113.db2.gz ORQBWFOSXBXMRF-TZMCWYRMSA-N 0 3 247.386 3.449 20 0 BGADHN CC[C@@H]1CCCN1Cc1ccncc1Cl ZINC000335412372 386575895 /nfs/dbraw/zinc/57/58/95/386575895.db2.gz NGYAETCPHGROJO-LLVKDONJSA-N 0 3 224.735 3.109 20 0 BGADHN CC[C@H]1CCCN1Cc1ccncc1Cl ZINC000335412374 386576217 /nfs/dbraw/zinc/57/62/17/386576217.db2.gz NGYAETCPHGROJO-NSHDSACASA-N 0 3 224.735 3.109 20 0 BGADHN C[C@@H]1C[C@H](C)N1Cc1c[nH]nc1-c1cccs1 ZINC000335412665 386576261 /nfs/dbraw/zinc/57/62/61/386576261.db2.gz VHGPNEKBOBEXAT-AOOOYVTPSA-N 0 3 247.367 3.121 20 0 BGADHN C[C@@H]1C[C@@H](C)N1Cc1c[nH]nc1-c1cccs1 ZINC000335412666 386575527 /nfs/dbraw/zinc/57/55/27/386575527.db2.gz VHGPNEKBOBEXAT-NXEZZACHSA-N 0 3 247.367 3.121 20 0 BGADHN C[C@H]1C[C@H](C)N1Cc1c[nH]nc1-c1cccs1 ZINC000335412667 386575390 /nfs/dbraw/zinc/57/53/90/386575390.db2.gz VHGPNEKBOBEXAT-UWVGGRQHSA-N 0 3 247.367 3.121 20 0 BGADHN c1ccc2sc(C3CN(CC4CC4)C3)nc2c1 ZINC000335414323 386580535 /nfs/dbraw/zinc/58/05/35/386580535.db2.gz JAQVOCHEGXTCJT-UHFFFAOYSA-N 0 3 244.363 3.106 20 0 BGADHN Cc1nc(C(C)C)oc1CN1CCCC2(CC2)C1 ZINC000335427777 386481451 /nfs/dbraw/zinc/48/14/51/386481451.db2.gz LRNINZWHKZNQPB-UHFFFAOYSA-N 0 3 248.370 3.482 20 0 BGADHN Cc1ccc(NC(=O)C(C)C(F)(F)F)c(C)c1 ZINC000335428456 386482122 /nfs/dbraw/zinc/48/21/22/386482122.db2.gz YGWLJQRLJYCPMJ-SECBINFHSA-N 0 3 245.244 3.440 20 0 BGADHN Cc1ccc(NC(=O)C(C)C(F)(F)F)c(C)c1 ZINC000335428459 386481896 /nfs/dbraw/zinc/48/18/96/386481896.db2.gz YGWLJQRLJYCPMJ-VIFPVBQESA-N 0 3 245.244 3.440 20 0 BGADHN c1c2cccnc2oc1CN1CCC2(CCC2)C1 ZINC000335433241 386491600 /nfs/dbraw/zinc/49/16/00/386491600.db2.gz DBCDQXXUXREQDZ-UHFFFAOYSA-N 0 3 242.322 3.204 20 0 BGADHN C[C@@H]1CC(C)(C)CN1CCC(F)(F)F ZINC000335437834 133845837 /nfs/dbraw/zinc/84/58/37/133845837.db2.gz SDOWHLHJONEODV-MRVPVSSYSA-N 0 3 209.255 3.059 20 0 BGADHN C[C@H]1CC(C)(C)CN1CCC(F)(F)F ZINC000335437836 398287604 /nfs/dbraw/zinc/28/76/04/398287604.db2.gz SDOWHLHJONEODV-QMMMGPOBSA-N 0 3 209.255 3.059 20 0 BGADHN c1cc(CN2CC[C@H](c3cccnc3)C2)cs1 ZINC000335444763 386509625 /nfs/dbraw/zinc/50/96/25/386509625.db2.gz UZNAWQKQZKKKKM-AWEZNQCLSA-N 0 3 244.363 3.133 20 0 BGADHN c1cc(CN2CC[C@@H](c3cccnc3)C2)cs1 ZINC000335444764 386509771 /nfs/dbraw/zinc/50/97/71/386509771.db2.gz UZNAWQKQZKKKKM-CQSZACIVSA-N 0 3 244.363 3.133 20 0 BGADHN Cc1csc(CNC2CCC3(CC3)CC2)n1 ZINC000335452132 388451101 /nfs/dbraw/zinc/45/11/01/388451101.db2.gz ZFVZBUZRSWHPNF-UHFFFAOYSA-N 0 3 236.384 3.264 20 0 BGADHN CN(Cc1nc2ccccc2o1)C(C)(C)C ZINC000335453554 386529403 /nfs/dbraw/zinc/52/94/03/386529403.db2.gz AAVXQNCNIJGSRF-UHFFFAOYSA-N 0 3 218.300 3.058 20 0 BGADHN Cc1nc2ccccc2nc1CN(C)C(C)(C)C ZINC000335453702 386273436 /nfs/dbraw/zinc/27/34/36/386273436.db2.gz DYKXQXWDWKPAAE-UHFFFAOYSA-N 0 3 243.354 3.169 20 0 BGADHN CN(Cc1nc2cc(F)ccc2o1)C(C)(C)C ZINC000335454351 386529222 /nfs/dbraw/zinc/52/92/22/386529222.db2.gz GACLIKFDBWFDIZ-UHFFFAOYSA-N 0 3 236.290 3.197 20 0 BGADHN CN(Cc1nc2ccc(F)cc2o1)C(C)(C)C ZINC000335455011 386530730 /nfs/dbraw/zinc/53/07/30/386530730.db2.gz LQOITMJEIICFOU-UHFFFAOYSA-N 0 3 236.290 3.197 20 0 BGADHN C[C@H]1CCCN(Cc2scnc2C2CC2)C1 ZINC000335475376 566403858 /nfs/dbraw/zinc/40/38/58/566403858.db2.gz AHPBWESLLOJUFU-JTQLQIEISA-N 0 3 236.384 3.252 20 0 BGADHN C[C@@H]1CCCN(Cc2scnc2C2CC2)C1 ZINC000335475418 566403826 /nfs/dbraw/zinc/40/38/26/566403826.db2.gz AHPBWESLLOJUFU-SNVBAGLBSA-N 0 3 236.384 3.252 20 0 BGADHN C[C@@H](c1cnccn1)N1CC[C@@H](C2CCCC2)C1 ZINC000335504539 386635165 /nfs/dbraw/zinc/63/51/65/386635165.db2.gz VRWICNDKKKFALK-GXTWGEPZSA-N 0 3 245.370 3.050 20 0 BGADHN C[C@@H](c1cnccn1)N1CC[C@H](C2CCCC2)C1 ZINC000335504540 386635277 /nfs/dbraw/zinc/63/52/77/386635277.db2.gz VRWICNDKKKFALK-JSGCOSHPSA-N 0 3 245.370 3.050 20 0 BGADHN C[C@H](c1cnccn1)N1CC[C@H](C2CCCC2)C1 ZINC000335505005 386636150 /nfs/dbraw/zinc/63/61/50/386636150.db2.gz VRWICNDKKKFALK-OCCSQVGLSA-N 0 3 245.370 3.050 20 0 BGADHN C[C@H](c1cnccn1)N1CC[C@@H](C2CCCC2)C1 ZINC000335505006 386636869 /nfs/dbraw/zinc/63/68/69/386636869.db2.gz VRWICNDKKKFALK-TZMCWYRMSA-N 0 3 245.370 3.050 20 0 BGADHN Cc1nc(CN2CC[C@H](C3CCCC3)C2)oc1C ZINC000335514066 386649326 /nfs/dbraw/zinc/64/93/26/386649326.db2.gz ZJYVNYIUGUCBBS-AWEZNQCLSA-N 0 3 248.370 3.304 20 0 BGADHN Cc1nc(CN2CC[C@@H](C3CCCC3)C2)oc1C ZINC000335514067 386648924 /nfs/dbraw/zinc/64/89/24/386648924.db2.gz ZJYVNYIUGUCBBS-CQSZACIVSA-N 0 3 248.370 3.304 20 0 BGADHN NC(=O)c1cccc(CN2CCCC23CCC3)c1 ZINC000335520298 386658422 /nfs/dbraw/zinc/65/84/22/386658422.db2.gz GZOSVAQKXCVCSM-UHFFFAOYSA-N 0 3 244.338 3.088 20 0 BGADHN Clc1cnccc1CN1CCCC12CCC2 ZINC000335521861 386662184 /nfs/dbraw/zinc/66/21/84/386662184.db2.gz PLCGUPCDTNCFDM-UHFFFAOYSA-N 0 3 236.746 3.254 20 0 BGADHN Cc1nc(CN2[C@H](C)CC[C@@H]2C)c(C)s1 ZINC000335524905 386667993 /nfs/dbraw/zinc/66/79/93/386667993.db2.gz PZVQEHJIAIHQFN-DTORHVGOSA-N 0 3 224.373 3.133 20 0 BGADHN Cc1nc(CN2[C@@H](C)CC[C@@H]2C)c(C)s1 ZINC000335524906 386668577 /nfs/dbraw/zinc/66/85/77/386668577.db2.gz PZVQEHJIAIHQFN-IUCAKERBSA-N 0 3 224.373 3.133 20 0 BGADHN Cc1nc(CN2[C@H](C)CC[C@H]2C)c(C)s1 ZINC000335524907 385760720 /nfs/dbraw/zinc/76/07/20/385760720.db2.gz PZVQEHJIAIHQFN-RKDXNWHRSA-N 0 3 224.373 3.133 20 0 BGADHN CC(C)n1cncc1CN1CC[C@@H](C)C[C@H]1C ZINC000335527248 386671854 /nfs/dbraw/zinc/67/18/54/386671854.db2.gz GZIAJKAGOKGBMY-CHWSQXEVSA-N 0 3 235.375 3.084 20 0 BGADHN Cc1nc(C(C)C)oc1CN1CCC[C@@H]1C ZINC000335530776 385764362 /nfs/dbraw/zinc/76/43/62/385764362.db2.gz XITXHQDUHNZPPK-JTQLQIEISA-N 0 3 222.332 3.091 20 0 BGADHN Cc1nc(C(C)C)oc1CN1CCC[C@H]1C ZINC000335530792 386680647 /nfs/dbraw/zinc/68/06/47/386680647.db2.gz XITXHQDUHNZPPK-SNVBAGLBSA-N 0 3 222.332 3.091 20 0 BGADHN Cc1csc([C@@H](C)N[C@@H]2CCC2(C)C)n1 ZINC000335552818 384318787 /nfs/dbraw/zinc/31/87/87/384318787.db2.gz DKJCZVBRZFEZAY-NXEZZACHSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1csc([C@H](C)N[C@H]2CCC2(C)C)n1 ZINC000335552819 384321038 /nfs/dbraw/zinc/32/10/38/384321038.db2.gz DKJCZVBRZFEZAY-UWVGGRQHSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1csc([C@H](C)N[C@@H]2CCC2(C)C)n1 ZINC000335552820 384318398 /nfs/dbraw/zinc/31/83/98/384318398.db2.gz DKJCZVBRZFEZAY-VHSXEESVSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1csc([C@@H](C)N[C@H]2CCC2(C)C)n1 ZINC000335552821 384318662 /nfs/dbraw/zinc/31/86/62/384318662.db2.gz DKJCZVBRZFEZAY-ZJUUUORDSA-N 0 3 224.373 3.291 20 0 BGADHN C[C@@]1(NCc2sccc2Cl)CCCOC1 ZINC000335557694 384325588 /nfs/dbraw/zinc/32/55/88/384325588.db2.gz YMGVCIKTCLUHDC-LLVKDONJSA-N 0 3 245.775 3.060 20 0 BGADHN C[C@]1(NCc2sccc2Cl)CCCOC1 ZINC000335557695 384326017 /nfs/dbraw/zinc/32/60/17/384326017.db2.gz YMGVCIKTCLUHDC-NSHDSACASA-N 0 3 245.775 3.060 20 0 BGADHN Cc1ncccc1CN1CC2(C1)CCCCC2 ZINC000335572982 136110465 /nfs/dbraw/zinc/11/04/65/136110465.db2.gz WEAGMEREEYQWKV-UHFFFAOYSA-N 0 3 230.355 3.156 20 0 BGADHN Cc1cc(CN2CCC3(C2)CCCCC3)on1 ZINC000335593779 136103987 /nfs/dbraw/zinc/10/39/87/136103987.db2.gz UMSKFMWOYQRPAV-UHFFFAOYSA-N 0 3 234.343 3.139 20 0 BGADHN Cc1nc(CNC2CC3(CCC3)C2)sc1C ZINC000335596497 136104902 /nfs/dbraw/zinc/10/49/02/136104902.db2.gz QYTKKDVIGTYZOR-UHFFFAOYSA-N 0 3 236.384 3.182 20 0 BGADHN C[C@@H](NC1CCC1)c1nc2c(s1)CCCC2 ZINC000335603054 136235617 /nfs/dbraw/zinc/23/56/17/136235617.db2.gz JBLVXFHJNVQXBS-SECBINFHSA-N 0 3 236.384 3.225 20 0 BGADHN C[C@H](NC1CCC1)c1nc2c(s1)CCCC2 ZINC000335603055 136235715 /nfs/dbraw/zinc/23/57/15/136235715.db2.gz JBLVXFHJNVQXBS-VIFPVBQESA-N 0 3 236.384 3.225 20 0 BGADHN Cc1csc([C@@H](C)NC2CC(C)(C)C2)n1 ZINC000335603057 384372983 /nfs/dbraw/zinc/37/29/83/384372983.db2.gz KWNSDNJPOBHFHL-SECBINFHSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1csc([C@H](C)NC2CC(C)(C)C2)n1 ZINC000335603058 384372997 /nfs/dbraw/zinc/37/29/97/384372997.db2.gz KWNSDNJPOBHFHL-VIFPVBQESA-N 0 3 224.373 3.291 20 0 BGADHN Cc1nc([C@@H](C)NC2CC(C)(C)C2)cs1 ZINC000335603213 136235472 /nfs/dbraw/zinc/23/54/72/136235472.db2.gz UXXZOBIZIGAETC-MRVPVSSYSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1nc([C@H](C)NC2CC(C)(C)C2)cs1 ZINC000335603214 136235500 /nfs/dbraw/zinc/23/55/00/136235500.db2.gz UXXZOBIZIGAETC-QMMMGPOBSA-N 0 3 224.373 3.291 20 0 BGADHN C[C@@H](N[C@@H]1CCC1(C)C)c1ccncc1F ZINC000335603237 384376408 /nfs/dbraw/zinc/37/64/08/384376408.db2.gz ZNUWRQQSMHIDKX-BXKDBHETSA-N 0 3 222.307 3.060 20 0 BGADHN C[C@H](N[C@H]1CCC1(C)C)c1ccncc1F ZINC000335603238 384375028 /nfs/dbraw/zinc/37/50/28/384375028.db2.gz ZNUWRQQSMHIDKX-CABZTGNLSA-N 0 3 222.307 3.060 20 0 BGADHN C[C@H](N[C@@H]1CCC1(C)C)c1ccncc1F ZINC000335603239 384375092 /nfs/dbraw/zinc/37/50/92/384375092.db2.gz ZNUWRQQSMHIDKX-JOYOIKCWSA-N 0 3 222.307 3.060 20 0 BGADHN C[C@@H](N[C@H]1CCC1(C)C)c1ccncc1F ZINC000335603240 175924362 /nfs/dbraw/zinc/92/43/62/175924362.db2.gz ZNUWRQQSMHIDKX-SKDRFNHKSA-N 0 3 222.307 3.060 20 0 BGADHN Cc1ccnc([C@@H](C)N[C@@H]2C=CCCC2)c1 ZINC000335604804 384376622 /nfs/dbraw/zinc/37/66/22/384376622.db2.gz MJTRARRKHYCADZ-CHWSQXEVSA-N 0 3 216.328 3.149 20 0 BGADHN Cc1ccnc([C@@H](C)N[C@H]2C=CCCC2)c1 ZINC000335604805 384374752 /nfs/dbraw/zinc/37/47/52/384374752.db2.gz MJTRARRKHYCADZ-OLZOCXBDSA-N 0 3 216.328 3.149 20 0 BGADHN Cc1ccnc([C@H](C)N[C@@H]2C=CCCC2)c1 ZINC000335604806 384374735 /nfs/dbraw/zinc/37/47/35/384374735.db2.gz MJTRARRKHYCADZ-QWHCGFSZSA-N 0 3 216.328 3.149 20 0 BGADHN Cc1ccnc([C@H](C)N[C@H]2C=CCCC2)c1 ZINC000335604807 384375320 /nfs/dbraw/zinc/37/53/20/384375320.db2.gz MJTRARRKHYCADZ-STQMWFEESA-N 0 3 216.328 3.149 20 0 BGADHN Cc1ncsc1CN[C@@H]1CCCC(F)(F)C1 ZINC000335604825 180322734 /nfs/dbraw/zinc/32/27/34/180322734.db2.gz RCOIGBPNUVSLQF-SECBINFHSA-N 0 3 246.326 3.119 20 0 BGADHN Cc1ncsc1CN[C@H]1CCCC(F)(F)C1 ZINC000335604826 180324172 /nfs/dbraw/zinc/32/41/72/180324172.db2.gz RCOIGBPNUVSLQF-VIFPVBQESA-N 0 3 246.326 3.119 20 0 BGADHN CC1(C)CC(NCc2ccc(Cl)cn2)C1 ZINC000335605294 167889448 /nfs/dbraw/zinc/88/94/48/167889448.db2.gz QJCYSOZSPLZUDN-UHFFFAOYSA-N 0 3 224.735 3.013 20 0 BGADHN CC1=CC[C@@H](NCc2ccc(Cl)cn2)CC1 ZINC000335605369 168119894 /nfs/dbraw/zinc/11/98/94/168119894.db2.gz VHQCYMXCPYHQBG-GFCCVEGCSA-N 0 3 236.746 3.323 20 0 BGADHN CC1=CC[C@H](NCc2ccc(Cl)cn2)CC1 ZINC000335605370 168120509 /nfs/dbraw/zinc/12/05/09/168120509.db2.gz VHQCYMXCPYHQBG-LBPRGKRZSA-N 0 3 236.746 3.323 20 0 BGADHN C[C@H](N[C@H]1CC12CCCC2)c1cccnc1 ZINC000335606516 384381831 /nfs/dbraw/zinc/38/18/31/384381831.db2.gz ACNANGWIENZVIB-AAEUAGOBSA-N 0 3 216.328 3.065 20 0 BGADHN C[C@@H](N[C@@H]1CC12CCCC2)c1cccnc1 ZINC000335606518 384381375 /nfs/dbraw/zinc/38/13/75/384381375.db2.gz ACNANGWIENZVIB-DGCLKSJQSA-N 0 3 216.328 3.065 20 0 BGADHN C[C@H](N[C@@H]1CC12CCCC2)c1cccnc1 ZINC000335606519 384381455 /nfs/dbraw/zinc/38/14/55/384381455.db2.gz ACNANGWIENZVIB-WCQYABFASA-N 0 3 216.328 3.065 20 0 BGADHN C[C@@H](N[C@H]1CC12CCCC2)c1cccnc1 ZINC000335606520 384380130 /nfs/dbraw/zinc/38/01/30/384380130.db2.gz ACNANGWIENZVIB-YPMHNXCESA-N 0 3 216.328 3.065 20 0 BGADHN C[C@H](N[C@H]1CC12CCCC2)c1ccncc1 ZINC000335606529 384380056 /nfs/dbraw/zinc/38/00/56/384380056.db2.gz AGGOFWIJSTWCSS-AAEUAGOBSA-N 0 3 216.328 3.065 20 0 BGADHN C[C@@H](N[C@@H]1CC12CCCC2)c1ccncc1 ZINC000335606530 384380416 /nfs/dbraw/zinc/38/04/16/384380416.db2.gz AGGOFWIJSTWCSS-DGCLKSJQSA-N 0 3 216.328 3.065 20 0 BGADHN C[C@H](N[C@@H]1CC12CCCC2)c1ccncc1 ZINC000335606531 384382293 /nfs/dbraw/zinc/38/22/93/384382293.db2.gz AGGOFWIJSTWCSS-WCQYABFASA-N 0 3 216.328 3.065 20 0 BGADHN C[C@@H](N[C@H]1CC12CCCC2)c1ccncc1 ZINC000335606532 384380837 /nfs/dbraw/zinc/38/08/37/384380837.db2.gz AGGOFWIJSTWCSS-YPMHNXCESA-N 0 3 216.328 3.065 20 0 BGADHN C[C@@H](NC1CC2(CCC2)C1)c1ccccn1 ZINC000335606546 384381740 /nfs/dbraw/zinc/38/17/40/384381740.db2.gz DVALIMHUFIWPAH-LLVKDONJSA-N 0 3 216.328 3.065 20 0 BGADHN C[C@H](NC1CC2(CCC2)C1)c1ccccn1 ZINC000335606547 384382023 /nfs/dbraw/zinc/38/20/23/384382023.db2.gz DVALIMHUFIWPAH-NSHDSACASA-N 0 3 216.328 3.065 20 0 BGADHN Cc1cnc([C@H](C)NC2CC3(CCC3)C2)s1 ZINC000335606608 384382411 /nfs/dbraw/zinc/38/24/11/384382411.db2.gz OZJHFCOWRWWIEY-JTQLQIEISA-N 0 3 236.384 3.435 20 0 BGADHN Cc1cnc([C@@H](C)NC2CC3(CCC3)C2)s1 ZINC000335606610 179646916 /nfs/dbraw/zinc/64/69/16/179646916.db2.gz OZJHFCOWRWWIEY-SNVBAGLBSA-N 0 3 236.384 3.435 20 0 BGADHN C[C@@H]1C[C@H](NCc2ccsc2Cl)CCO1 ZINC000335606807 136236340 /nfs/dbraw/zinc/23/63/40/136236340.db2.gz PJAFUPGWUAHFSV-PSASIEDQSA-N 0 3 245.775 3.059 20 0 BGADHN C[C@@H]1C[C@@H](NCc2ccsc2Cl)CCO1 ZINC000335606808 136236430 /nfs/dbraw/zinc/23/64/30/136236430.db2.gz PJAFUPGWUAHFSV-SCZZXKLOSA-N 0 3 245.775 3.059 20 0 BGADHN C[C@H]1C[C@H](NCc2ccsc2Cl)CCO1 ZINC000335606809 136236259 /nfs/dbraw/zinc/23/62/59/136236259.db2.gz PJAFUPGWUAHFSV-WCBMZHEXSA-N 0 3 245.775 3.059 20 0 BGADHN C[C@H]1C[C@@H](NCc2ccsc2Cl)CCO1 ZINC000335606810 136236171 /nfs/dbraw/zinc/23/61/71/136236171.db2.gz PJAFUPGWUAHFSV-WPRPVWTQSA-N 0 3 245.775 3.059 20 0 BGADHN C[C@@H](N[C@H]1CCCC(F)(F)C1)c1cncs1 ZINC000335607789 384385768 /nfs/dbraw/zinc/38/57/68/384385768.db2.gz FNJJZWYRAIOYNU-BDAKNGLRSA-N 0 3 246.326 3.372 20 0 BGADHN C[C@H](N[C@@H]1CCCC(F)(F)C1)c1cncs1 ZINC000335607791 384387703 /nfs/dbraw/zinc/38/77/03/384387703.db2.gz FNJJZWYRAIOYNU-DTWKUNHWSA-N 0 3 246.326 3.372 20 0 BGADHN C[C@H](N[C@H]1CCCC(F)(F)C1)c1cncs1 ZINC000335607792 384386387 /nfs/dbraw/zinc/38/63/87/384386387.db2.gz FNJJZWYRAIOYNU-IUCAKERBSA-N 0 3 246.326 3.372 20 0 BGADHN C[C@@H](N[C@@H]1CCCC(F)(F)C1)c1cncs1 ZINC000335607793 384386465 /nfs/dbraw/zinc/38/64/65/384386465.db2.gz FNJJZWYRAIOYNU-RKDXNWHRSA-N 0 3 246.326 3.372 20 0 BGADHN C[C@H](N[C@@H]1CC12CCCC2)c1cncs1 ZINC000335607925 384386096 /nfs/dbraw/zinc/38/60/96/384386096.db2.gz RNHFWHVVPHXMRY-GXSJLCMTSA-N 0 3 222.357 3.126 20 0 BGADHN C[C@@H](N[C@H]1CC12CCCC2)c1cncs1 ZINC000335607926 384386403 /nfs/dbraw/zinc/38/64/03/384386403.db2.gz RNHFWHVVPHXMRY-KOLCDFICSA-N 0 3 222.357 3.126 20 0 BGADHN C[C@@H](N[C@@H]1CC12CCCC2)c1cncs1 ZINC000335607927 384387823 /nfs/dbraw/zinc/38/78/23/384387823.db2.gz RNHFWHVVPHXMRY-MWLCHTKSSA-N 0 3 222.357 3.126 20 0 BGADHN C[C@H](N[C@H]1CC12CCCC2)c1cncs1 ZINC000335607928 384387772 /nfs/dbraw/zinc/38/77/72/384387772.db2.gz RNHFWHVVPHXMRY-ONGXEEELSA-N 0 3 222.357 3.126 20 0 BGADHN Cc1nnc([C@@H](C)N[C@@H]2CCC(C)(C)C2)s1 ZINC000335608264 384383970 /nfs/dbraw/zinc/38/39/70/384383970.db2.gz KCNUMGYQPIAFCN-PSASIEDQSA-N 0 3 239.388 3.076 20 0 BGADHN Cc1nnc([C@@H](C)N[C@H]2CCC(C)(C)C2)s1 ZINC000335608268 384383735 /nfs/dbraw/zinc/38/37/35/384383735.db2.gz KCNUMGYQPIAFCN-SCZZXKLOSA-N 0 3 239.388 3.076 20 0 BGADHN Cc1nnc([C@H](C)N[C@@H]2CCC(C)(C)C2)s1 ZINC000335608276 384383565 /nfs/dbraw/zinc/38/35/65/384383565.db2.gz KCNUMGYQPIAFCN-WCBMZHEXSA-N 0 3 239.388 3.076 20 0 BGADHN Cc1nnc([C@H](C)N[C@H]2CCC(C)(C)C2)s1 ZINC000335608282 384384155 /nfs/dbraw/zinc/38/41/55/384384155.db2.gz KCNUMGYQPIAFCN-WPRPVWTQSA-N 0 3 239.388 3.076 20 0 BGADHN Cc1cscc1NC1CCN(C2CC2)CC1 ZINC000335609406 384384522 /nfs/dbraw/zinc/38/45/22/384384522.db2.gz VIFVCWFZCFOQNU-UHFFFAOYSA-N 0 3 236.384 3.095 20 0 BGADHN C[C@H](NC1CC(C)(F)C1)c1ccncc1Cl ZINC000335615112 136296165 /nfs/dbraw/zinc/29/61/65/136296165.db2.gz BEWZEAQAJNYNPO-QTZUAFFRSA-N 0 3 242.725 3.276 20 0 BGADHN C[C@@H](NC1CC(C)(F)C1)c1ccncc1Cl ZINC000335615113 136296294 /nfs/dbraw/zinc/29/62/94/136296294.db2.gz BEWZEAQAJNYNPO-YDNLMGDJSA-N 0 3 242.725 3.276 20 0 BGADHN Cc1nc(C)c(CN[C@@H]2CCCC[C@H]2F)s1 ZINC000335631054 388452450 /nfs/dbraw/zinc/45/24/50/388452450.db2.gz KXWDYZZDAFZCNF-GHMZBOCLSA-N 0 3 242.363 3.130 20 0 BGADHN c1ccc2c(c1)COC[C@@H]2NC1CC2(CCC2)C1 ZINC000335634830 385830346 /nfs/dbraw/zinc/83/03/46/385830346.db2.gz HUNOWSXGAJWOJN-HNNXBMFYSA-N 0 3 243.350 3.180 20 0 BGADHN c1ccc2c(c1)COC[C@H]2NC1CC2(CCC2)C1 ZINC000335634838 136300803 /nfs/dbraw/zinc/30/08/03/136300803.db2.gz HUNOWSXGAJWOJN-OAHLLOKOSA-N 0 3 243.350 3.180 20 0 BGADHN c1coc(CN2CCSC3(CCC3)CC2)c1 ZINC000335640828 386764240 /nfs/dbraw/zinc/76/42/40/386764240.db2.gz ALBICZLEPTYEGZ-UHFFFAOYSA-N 0 3 237.368 3.141 20 0 BGADHN CC[C@@H]1CC[C@H](C)N(Cc2nc(C)c(C)o2)C1 ZINC000335651955 136304974 /nfs/dbraw/zinc/30/49/74/136304974.db2.gz LOOSEGITOBIHGE-GXFFZTMASA-N 0 3 236.359 3.302 20 0 BGADHN Cc1ncc(CN2CCC[C@@H](C3CC3)C2)s1 ZINC000335656100 136306544 /nfs/dbraw/zinc/30/65/44/136306544.db2.gz RDFVXESQDGYSTC-GFCCVEGCSA-N 0 3 236.384 3.074 20 0 BGADHN Cc1ncc(CN2CCC[C@H](C3CC3)C2)s1 ZINC000335656101 136306498 /nfs/dbraw/zinc/30/64/98/136306498.db2.gz RDFVXESQDGYSTC-LBPRGKRZSA-N 0 3 236.384 3.074 20 0 BGADHN CC1(C)C[C@@H](NCc2ccc(Cl)s2)CO1 ZINC000335657374 384459684 /nfs/dbraw/zinc/45/96/84/384459684.db2.gz QNTUKXISRQCLRY-MRVPVSSYSA-N 0 3 245.775 3.059 20 0 BGADHN CC1(C)C[C@H](NCc2ccc(Cl)s2)CO1 ZINC000335657375 384458387 /nfs/dbraw/zinc/45/83/87/384458387.db2.gz QNTUKXISRQCLRY-QMMMGPOBSA-N 0 3 245.775 3.059 20 0 BGADHN Cc1ncc(CN(C)C2CC(C)(C)C2)s1 ZINC000335657376 136306804 /nfs/dbraw/zinc/30/68/04/136306804.db2.gz QVELYTOQTLUXJS-UHFFFAOYSA-N 0 3 224.373 3.072 20 0 BGADHN CC(C)n1ccc(CN2CC[C@@H]3CCCC[C@@H]32)n1 ZINC000335661821 136314964 /nfs/dbraw/zinc/31/49/64/136314964.db2.gz SZRZWMCSIGOUJB-ZFWWWQNUSA-N 0 3 247.386 3.229 20 0 BGADHN CCCN1CC(c2nc3ccccc3s2)C1 ZINC000335666184 535350238 /nfs/dbraw/zinc/35/02/38/535350238.db2.gz ZOXXJKJORSWUKM-UHFFFAOYSA-N 0 3 232.352 3.106 20 0 BGADHN Cc1nocc1CN[C@@H]1CCCCC1(C)C ZINC000335668258 388453845 /nfs/dbraw/zinc/45/38/45/388453845.db2.gz CEYKKVKBYPSTFK-GFCCVEGCSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1nocc1CN[C@H]1CCCCC1(C)C ZINC000335668259 135421200 /nfs/dbraw/zinc/42/12/00/135421200.db2.gz CEYKKVKBYPSTFK-LBPRGKRZSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1ncsc1CN1CC2(CCC2)[C@H]1C1CC1 ZINC000335675688 136318671 /nfs/dbraw/zinc/31/86/71/136318671.db2.gz RBYHCFBPQIQGFX-CYBMUJFWSA-N 0 3 248.395 3.216 20 0 BGADHN Cc1ncsc1CN1CC2(CCC2)[C@@H]1C1CC1 ZINC000335675689 136318664 /nfs/dbraw/zinc/31/86/64/136318664.db2.gz RBYHCFBPQIQGFX-ZDUSSCGKSA-N 0 3 248.395 3.216 20 0 BGADHN CC(C)[C@@H]1CCCN(Cc2cncs2)C1 ZINC000335676336 136318659 /nfs/dbraw/zinc/31/86/59/136318659.db2.gz NQDCZBSQEXITJT-LLVKDONJSA-N 0 3 224.373 3.011 20 0 BGADHN CC(C)[C@H]1CCCN(Cc2cncs2)C1 ZINC000335676337 136318545 /nfs/dbraw/zinc/31/85/45/136318545.db2.gz NQDCZBSQEXITJT-NSHDSACASA-N 0 3 224.373 3.011 20 0 BGADHN CCc1ncc(CN2CCCC23CCC3)s1 ZINC000335687857 136323601 /nfs/dbraw/zinc/32/36/01/136323601.db2.gz SMRJZXNOHXZEDP-UHFFFAOYSA-N 0 3 236.384 3.224 20 0 BGADHN CC1(C)CCCN1Cc1ccncc1Cl ZINC000335693731 136326078 /nfs/dbraw/zinc/32/60/78/136326078.db2.gz NMOUKEDWLHPLBR-UHFFFAOYSA-N 0 3 224.735 3.109 20 0 BGADHN Cc1noc(C)c1CN1CC2(CCC2)C[C@@H]1C ZINC000335701809 136334610 /nfs/dbraw/zinc/33/46/10/136334610.db2.gz MEZHDDDGZQKRCX-JTQLQIEISA-N 0 3 234.343 3.056 20 0 BGADHN Cc1noc(C)c1CN1CC2(CCC2)C[C@H]1C ZINC000335701810 136334463 /nfs/dbraw/zinc/33/44/63/136334463.db2.gz MEZHDDDGZQKRCX-SNVBAGLBSA-N 0 3 234.343 3.056 20 0 BGADHN C[C@H](N[C@@H]1CCOC1)c1cc2cccc(F)c2o1 ZINC000335705723 136335850 /nfs/dbraw/zinc/33/58/50/136335850.db2.gz AUEAOAXORQLIRF-GXSJLCMTSA-N 0 3 249.285 3.011 20 0 BGADHN C[C@@H](N[C@H]1CCOC1)c1cc2cccc(F)c2o1 ZINC000335705724 136335542 /nfs/dbraw/zinc/33/55/42/136335542.db2.gz AUEAOAXORQLIRF-KOLCDFICSA-N 0 3 249.285 3.011 20 0 BGADHN C[C@@H](N[C@@H]1CCOC1)c1cc2cccc(F)c2o1 ZINC000335705725 136335665 /nfs/dbraw/zinc/33/56/65/136335665.db2.gz AUEAOAXORQLIRF-MWLCHTKSSA-N 0 3 249.285 3.011 20 0 BGADHN C[C@H](N[C@H]1CCOC1)c1cc2cccc(F)c2o1 ZINC000335705726 136335892 /nfs/dbraw/zinc/33/58/92/136335892.db2.gz AUEAOAXORQLIRF-ONGXEEELSA-N 0 3 249.285 3.011 20 0 BGADHN CC1=C(C)CN(C/C=C/c2ccncc2)CC1 ZINC000335708065 535234390 /nfs/dbraw/zinc/23/43/90/535234390.db2.gz WYGQXLRQEQLFNA-ONEGZZNKSA-N 0 3 228.339 3.137 20 0 BGADHN c1cc(-c2n[nH]cc2CN2CCCCC2)cs1 ZINC000335708469 136337048 /nfs/dbraw/zinc/33/70/48/136337048.db2.gz PRSZBVYNVAQDRJ-UHFFFAOYSA-N 0 3 247.367 3.124 20 0 BGADHN CC1=C[C@H](C)CN([C@@H](C)c2ccccn2)C1 ZINC000335713436 136338213 /nfs/dbraw/zinc/33/82/13/136338213.db2.gz XWOXWCUXJCOQAA-AAEUAGOBSA-N 0 3 216.328 3.041 20 0 BGADHN CC1=C[C@@H](C)CN([C@H](C)c2ccccn2)C1 ZINC000335713437 136338368 /nfs/dbraw/zinc/33/83/68/136338368.db2.gz XWOXWCUXJCOQAA-DGCLKSJQSA-N 0 3 216.328 3.041 20 0 BGADHN CC1=C[C@H](C)CN([C@H](C)c2ccccn2)C1 ZINC000335713438 136338487 /nfs/dbraw/zinc/33/84/87/136338487.db2.gz XWOXWCUXJCOQAA-WCQYABFASA-N 0 3 216.328 3.041 20 0 BGADHN CC1=C[C@@H](C)CN([C@@H](C)c2ccccn2)C1 ZINC000335713439 136338179 /nfs/dbraw/zinc/33/81/79/136338179.db2.gz XWOXWCUXJCOQAA-YPMHNXCESA-N 0 3 216.328 3.041 20 0 BGADHN C/C=C/c1ccc(NC2CCN(C)CC2)cc1 ZINC000335715227 533456148 /nfs/dbraw/zinc/45/61/48/533456148.db2.gz ZALULDAGVABAJJ-ONEGZZNKSA-N 0 3 230.355 3.226 20 0 BGADHN CCc1noc(C)c1CN1CCCC12CCC2 ZINC000335717719 535876182 /nfs/dbraw/zinc/87/61/82/535876182.db2.gz XBLAKHGDDDLLRK-UHFFFAOYSA-N 0 3 234.343 3.064 20 0 BGADHN CC1CN(Cc2cccc(-c3cccnc3)c2)C1 ZINC000335726799 136347614 /nfs/dbraw/zinc/34/76/14/136347614.db2.gz WQUBJQWXOUWHBN-UHFFFAOYSA-N 0 3 238.334 3.200 20 0 BGADHN CCn1ccnc1CN1CCCC12CCCCC2 ZINC000335737366 136351094 /nfs/dbraw/zinc/35/10/94/136351094.db2.gz PVAKAQBFAFJZCQ-UHFFFAOYSA-N 0 3 247.386 3.202 20 0 BGADHN CC(C)=CCN1CCC[C@H]1c1cccnc1 ZINC000335741164 398297015 /nfs/dbraw/zinc/29/70/15/398297015.db2.gz LLCGULZYBSGFKV-AWEZNQCLSA-N 0 3 216.328 3.185 20 0 BGADHN CC(C)=CCN1CCC[C@@H]1c1cccnc1 ZINC000335741165 398297055 /nfs/dbraw/zinc/29/70/55/398297055.db2.gz LLCGULZYBSGFKV-CQSZACIVSA-N 0 3 216.328 3.185 20 0 BGADHN Cc1ncc(CN2CC3(CCC3)C[C@@H]2C)s1 ZINC000335746904 386869106 /nfs/dbraw/zinc/86/91/06/386869106.db2.gz CPVCRZMSOGXFGT-JTQLQIEISA-N 0 3 236.384 3.216 20 0 BGADHN Cc1ncc(CN2CC3(CCC3)C[C@H]2C)s1 ZINC000335746905 386868803 /nfs/dbraw/zinc/86/88/03/386868803.db2.gz CPVCRZMSOGXFGT-SNVBAGLBSA-N 0 3 236.384 3.216 20 0 BGADHN Cc1nc(CN2CC(C)(C)[C@@H]3CCC[C@H]32)oc1C ZINC000335748259 386870712 /nfs/dbraw/zinc/87/07/12/386870712.db2.gz BVIGUARAMOAPFB-CHWSQXEVSA-N 0 3 248.370 3.302 20 0 BGADHN Cc1nc(CN2CC(C)(C)[C@@H]3CCC[C@@H]32)oc1C ZINC000335748260 386871460 /nfs/dbraw/zinc/87/14/60/386871460.db2.gz BVIGUARAMOAPFB-OLZOCXBDSA-N 0 3 248.370 3.302 20 0 BGADHN Cc1nc(CN2CC(C)(C)[C@H]3CCC[C@H]32)oc1C ZINC000335748261 386871700 /nfs/dbraw/zinc/87/17/00/386871700.db2.gz BVIGUARAMOAPFB-QWHCGFSZSA-N 0 3 248.370 3.302 20 0 BGADHN Cc1nc(CN2CC(C)(C)[C@H]3CCC[C@@H]32)oc1C ZINC000335748262 386871724 /nfs/dbraw/zinc/87/17/24/386871724.db2.gz BVIGUARAMOAPFB-STQMWFEESA-N 0 3 248.370 3.302 20 0 BGADHN Cc1cnc([C@@H](C)N2CCCC[C@H](C)C2)o1 ZINC000335751955 386879150 /nfs/dbraw/zinc/87/91/50/386879150.db2.gz RQEBPGOPNLWMAN-CMPLNLGQSA-N 0 3 222.332 3.166 20 0 BGADHN Cc1cnc([C@H](C)N2CCCC[C@H](C)C2)o1 ZINC000335751958 386878728 /nfs/dbraw/zinc/87/87/28/386878728.db2.gz RQEBPGOPNLWMAN-JQWIXIFHSA-N 0 3 222.332 3.166 20 0 BGADHN Cc1cnc([C@H](C)N2CCCC[C@@H](C)C2)o1 ZINC000335751960 386879574 /nfs/dbraw/zinc/87/95/74/386879574.db2.gz RQEBPGOPNLWMAN-PWSUYJOCSA-N 0 3 222.332 3.166 20 0 BGADHN Cc1cnc([C@@H](C)N2CCCC[C@@H](C)C2)o1 ZINC000335751962 386878970 /nfs/dbraw/zinc/87/89/70/386878970.db2.gz RQEBPGOPNLWMAN-ZYHUDNBSSA-N 0 3 222.332 3.166 20 0 BGADHN Cc1noc(C)c1CN(C)[C@@H]1CCC(C)(C)C1 ZINC000335755810 386883036 /nfs/dbraw/zinc/88/30/36/386883036.db2.gz AACQRGIDQUYQAQ-GFCCVEGCSA-N 0 3 236.359 3.302 20 0 BGADHN Cc1noc(C)c1CN(C)[C@H]1CCC(C)(C)C1 ZINC000335755811 386882699 /nfs/dbraw/zinc/88/26/99/386882699.db2.gz AACQRGIDQUYQAQ-LBPRGKRZSA-N 0 3 236.359 3.302 20 0 BGADHN C[C@@H](c1cccnc1)N1CCC(C(F)F)CC1 ZINC000335761568 386900741 /nfs/dbraw/zinc/90/07/41/386900741.db2.gz ZLRORDJAHVIHSB-JTQLQIEISA-N 0 3 240.297 3.120 20 0 BGADHN C[C@H](c1cccnc1)N1CCC(C(F)F)CC1 ZINC000335761569 386900606 /nfs/dbraw/zinc/90/06/06/386900606.db2.gz ZLRORDJAHVIHSB-SNVBAGLBSA-N 0 3 240.297 3.120 20 0 BGADHN Cc1ccc(C)c(NC(=O)C(C)C(F)(F)F)c1 ZINC000335765767 386907631 /nfs/dbraw/zinc/90/76/31/386907631.db2.gz OIPPPACGUZHYLQ-SECBINFHSA-N 0 3 245.244 3.440 20 0 BGADHN Cc1ccc(C)c(NC(=O)C(C)C(F)(F)F)c1 ZINC000335765768 386907955 /nfs/dbraw/zinc/90/79/55/386907955.db2.gz OIPPPACGUZHYLQ-VIFPVBQESA-N 0 3 245.244 3.440 20 0 BGADHN F[C@H]1CCC[C@H]1NCc1cccc2[nH]ccc21 ZINC000335777871 355404101 /nfs/dbraw/zinc/40/41/01/355404101.db2.gz MQWCCJOLFFIPMC-GXTWGEPZSA-N 0 3 232.302 3.148 20 0 BGADHN CNCc1nc(C2CCC(F)(F)CC2)cs1 ZINC000335780019 355406815 /nfs/dbraw/zinc/40/68/15/355406815.db2.gz ANBSKEKZLGEZSS-UHFFFAOYSA-N 0 3 246.326 3.155 20 0 BGADHN CNCc1nc(-c2cc(C)ccc2C)c(C)s1 ZINC000335780020 355406856 /nfs/dbraw/zinc/40/68/56/355406856.db2.gz AOKPFUSIGXGTFV-UHFFFAOYSA-N 0 3 246.379 3.455 20 0 BGADHN CCc1nc(C)c(CN2CCC(C)(C)CC2)o1 ZINC000335783100 347333011 /nfs/dbraw/zinc/33/30/11/347333011.db2.gz ZCVGNPVMBKNDOM-UHFFFAOYSA-N 0 3 236.359 3.167 20 0 BGADHN Cc1cnc([C@H](C)N[C@@H]2CCC23CCCC3)cn1 ZINC000335790738 355442276 /nfs/dbraw/zinc/44/22/76/355442276.db2.gz KOSIQQWKYSTGBQ-GXTWGEPZSA-N 0 3 245.370 3.158 20 0 BGADHN Cc1cnc([C@H](C)N[C@H]2CCC23CCCC3)cn1 ZINC000335790739 355442164 /nfs/dbraw/zinc/44/21/64/355442164.db2.gz KOSIQQWKYSTGBQ-JSGCOSHPSA-N 0 3 245.370 3.158 20 0 BGADHN Cc1cnc([C@@H](C)N[C@H]2CCC23CCCC3)cn1 ZINC000335790740 355442262 /nfs/dbraw/zinc/44/22/62/355442262.db2.gz KOSIQQWKYSTGBQ-OCCSQVGLSA-N 0 3 245.370 3.158 20 0 BGADHN Cc1cnc([C@@H](C)N[C@@H]2CCC23CCCC3)cn1 ZINC000335790741 355442342 /nfs/dbraw/zinc/44/23/42/355442342.db2.gz KOSIQQWKYSTGBQ-TZMCWYRMSA-N 0 3 245.370 3.158 20 0 BGADHN C[C@H]1C[C@H](NC2CCC(C)(C)CC2)c2nccn21 ZINC000335797152 410466928 /nfs/dbraw/zinc/46/69/28/410466928.db2.gz MNEVUCLODSNQJF-AAEUAGOBSA-N 0 3 247.386 3.447 20 0 BGADHN C[C@@H]1C[C@@H](NC2CCC(C)(C)CC2)c2nccn21 ZINC000335797153 410467001 /nfs/dbraw/zinc/46/70/01/410467001.db2.gz MNEVUCLODSNQJF-DGCLKSJQSA-N 0 3 247.386 3.447 20 0 BGADHN C[C@H]1C[C@@H](NC2CCC(C)(C)CC2)c2nccn21 ZINC000335797154 410466876 /nfs/dbraw/zinc/46/68/76/410466876.db2.gz MNEVUCLODSNQJF-WCQYABFASA-N 0 3 247.386 3.447 20 0 BGADHN C[C@@H]1C[C@H](NC2CCC(C)(C)CC2)c2nccn21 ZINC000335797155 410466200 /nfs/dbraw/zinc/46/62/00/410466200.db2.gz MNEVUCLODSNQJF-YPMHNXCESA-N 0 3 247.386 3.447 20 0 BGADHN CCc1nocc1CN1CCCCC[C@H]1C ZINC000335797738 355455096 /nfs/dbraw/zinc/45/50/96/355455096.db2.gz FJFOYZLXDHIFQH-LLVKDONJSA-N 0 3 222.332 3.002 20 0 BGADHN CCc1nocc1CN1CCCCC[C@@H]1C ZINC000335797739 355454701 /nfs/dbraw/zinc/45/47/01/355454701.db2.gz FJFOYZLXDHIFQH-NSHDSACASA-N 0 3 222.332 3.002 20 0 BGADHN c1csc(CN2CCCC23CCCCC3)n1 ZINC000335798682 355457386 /nfs/dbraw/zinc/45/73/86/355457386.db2.gz DSFDYDROYXASRJ-UHFFFAOYSA-N 0 3 236.384 3.442 20 0 BGADHN C[C@H](c1cnccn1)N1CCCC2(CCCC2)C1 ZINC000335809267 355483776 /nfs/dbraw/zinc/48/37/76/355483776.db2.gz RMPNNDKITXCPEX-CYBMUJFWSA-N 0 3 245.370 3.194 20 0 BGADHN C[C@@H](c1cnccn1)N1CCCC2(CCCC2)C1 ZINC000335809269 355483912 /nfs/dbraw/zinc/48/39/12/355483912.db2.gz RMPNNDKITXCPEX-ZDUSSCGKSA-N 0 3 245.370 3.194 20 0 BGADHN CN(Cc1nc2ccc(F)cc2o1)C1CCCC1 ZINC000335816095 355506291 /nfs/dbraw/zinc/50/62/91/355506291.db2.gz JKPWZMRSSTVTTC-UHFFFAOYSA-N 0 3 248.301 3.341 20 0 BGADHN Cc1nc(C(C)C)oc1CN1CC[C@H](C)[C@H]1C ZINC000335821259 355540135 /nfs/dbraw/zinc/54/01/35/355540135.db2.gz HZGQHHWTWOBKHV-CMPLNLGQSA-N 0 3 236.359 3.337 20 0 BGADHN Cc1nc(C(C)C)oc1CN1CC[C@H](C)[C@@H]1C ZINC000335821276 355540216 /nfs/dbraw/zinc/54/02/16/355540216.db2.gz HZGQHHWTWOBKHV-JQWIXIFHSA-N 0 3 236.359 3.337 20 0 BGADHN Cc1nc(C(C)C)oc1CN1CC[C@@H](C)[C@@H]1C ZINC000335821295 355540419 /nfs/dbraw/zinc/54/04/19/355540419.db2.gz HZGQHHWTWOBKHV-PWSUYJOCSA-N 0 3 236.359 3.337 20 0 BGADHN Cc1nc(C(C)C)oc1CN1CC[C@@H](C)[C@H]1C ZINC000335821308 355540198 /nfs/dbraw/zinc/54/01/98/355540198.db2.gz HZGQHHWTWOBKHV-ZYHUDNBSSA-N 0 3 236.359 3.337 20 0 BGADHN CC(C)n1nccc1CN1CC2(CCC2)C[C@H]1C ZINC000335821326 355540321 /nfs/dbraw/zinc/54/03/21/355540321.db2.gz KGTFDBFRZIHQNK-CYBMUJFWSA-N 0 3 247.386 3.229 20 0 BGADHN CC(C)n1nccc1CN1CC2(CCC2)C[C@@H]1C ZINC000335821329 355540007 /nfs/dbraw/zinc/54/00/07/355540007.db2.gz KGTFDBFRZIHQNK-ZDUSSCGKSA-N 0 3 247.386 3.229 20 0 BGADHN CC[C@H]1C[C@@H](CN2Cc3ccccc3C2)CCO1 ZINC000335824768 355535379 /nfs/dbraw/zinc/53/53/79/355535379.db2.gz OXNUPSXEPMCKBQ-BBRMVZONSA-N 0 3 245.366 3.207 20 0 BGADHN CC[C@H]1C[C@H](CN2Cc3ccccc3C2)CCO1 ZINC000335824769 355535527 /nfs/dbraw/zinc/53/55/27/355535527.db2.gz OXNUPSXEPMCKBQ-CJNGLKHVSA-N 0 3 245.366 3.207 20 0 BGADHN CC[C@@H]1C[C@H](CN2Cc3ccccc3C2)CCO1 ZINC000335824770 355535610 /nfs/dbraw/zinc/53/56/10/355535610.db2.gz OXNUPSXEPMCKBQ-CZUORRHYSA-N 0 3 245.366 3.207 20 0 BGADHN CC[C@@H]1C[C@@H](CN2Cc3ccccc3C2)CCO1 ZINC000335824771 355535203 /nfs/dbraw/zinc/53/52/03/355535203.db2.gz OXNUPSXEPMCKBQ-XJKSGUPXSA-N 0 3 245.366 3.207 20 0 BGADHN Cc1noc(C)c1CNC1CCC2(CC2)CC1 ZINC000335828612 180472731 /nfs/dbraw/zinc/47/27/31/180472731.db2.gz JJFHMWSFJHDGKT-UHFFFAOYSA-N 0 3 234.343 3.104 20 0 BGADHN Cc1nn(C(C)C)cc1CN1CCCC12CCC2 ZINC000335831976 355559159 /nfs/dbraw/zinc/55/91/59/355559159.db2.gz BOTMFVWKKOXEQY-UHFFFAOYSA-N 0 3 247.386 3.291 20 0 BGADHN Cc1nn(C(C)C)cc1CN1CCCCCC1 ZINC000335832492 355560342 /nfs/dbraw/zinc/56/03/42/355560342.db2.gz AXDBUJFSAKJCDE-UHFFFAOYSA-N 0 3 235.375 3.148 20 0 BGADHN Cc1cnc(CN(C)C2(C)CCCC2)s1 ZINC000335832831 355559979 /nfs/dbraw/zinc/55/99/79/355559979.db2.gz YJVUACQEOBLMNO-UHFFFAOYSA-N 0 3 224.373 3.216 20 0 BGADHN c1cncc([C@@H]2CCCN2[C@@H]2C=CCCC2)c1 ZINC000335835744 355563246 /nfs/dbraw/zinc/56/32/46/355563246.db2.gz OQFWHGNWLKNEIT-CABCVRRESA-N 0 3 228.339 3.327 20 0 BGADHN c1cncc([C@@H]2CCCN2[C@H]2C=CCCC2)c1 ZINC000335835745 355563058 /nfs/dbraw/zinc/56/30/58/355563058.db2.gz OQFWHGNWLKNEIT-GJZGRUSLSA-N 0 3 228.339 3.327 20 0 BGADHN c1cncc([C@H]2CCCN2[C@@H]2C=CCCC2)c1 ZINC000335835746 355562896 /nfs/dbraw/zinc/56/28/96/355562896.db2.gz OQFWHGNWLKNEIT-HUUCEWRRSA-N 0 3 228.339 3.327 20 0 BGADHN c1cncc([C@H]2CCCN2[C@H]2C=CCCC2)c1 ZINC000335835747 355563351 /nfs/dbraw/zinc/56/33/51/355563351.db2.gz OQFWHGNWLKNEIT-LSDHHAIUSA-N 0 3 228.339 3.327 20 0 BGADHN CC1(C)CCN(Cc2scnc2C2CC2)C1 ZINC000335840945 541423565 /nfs/dbraw/zinc/42/35/65/541423565.db2.gz VOFZNRSTELBOGS-UHFFFAOYSA-N 0 3 236.384 3.252 20 0 BGADHN c1sc(CN2CC[C@@H]3CCC[C@@H]32)nc1C1CC1 ZINC000335846025 183554591 /nfs/dbraw/zinc/55/45/91/183554591.db2.gz CBWIQQLFCOBERG-AAEUAGOBSA-N 0 3 248.395 3.395 20 0 BGADHN c1sc(CN2CC[C@H]3CCC[C@H]32)nc1C1CC1 ZINC000335846026 355589048 /nfs/dbraw/zinc/58/90/48/355589048.db2.gz CBWIQQLFCOBERG-DGCLKSJQSA-N 0 3 248.395 3.395 20 0 BGADHN c1sc(CN2CC[C@@H]3CCC[C@H]32)nc1C1CC1 ZINC000335846027 355589478 /nfs/dbraw/zinc/58/94/78/355589478.db2.gz CBWIQQLFCOBERG-WCQYABFASA-N 0 3 248.395 3.395 20 0 BGADHN c1sc(CN2CC[C@H]3CCC[C@@H]32)nc1C1CC1 ZINC000335846028 355589080 /nfs/dbraw/zinc/58/90/80/355589080.db2.gz CBWIQQLFCOBERG-YPMHNXCESA-N 0 3 248.395 3.395 20 0 BGADHN CN(Cc1cncs1)[C@H]1CCC(C)(C)C1 ZINC000335849943 136355408 /nfs/dbraw/zinc/35/54/08/136355408.db2.gz IMOFRLBKWYTPAJ-JTQLQIEISA-N 0 3 224.373 3.154 20 0 BGADHN CN(Cc1cncs1)[C@@H]1CCC(C)(C)C1 ZINC000335849944 136355553 /nfs/dbraw/zinc/35/55/53/136355553.db2.gz IMOFRLBKWYTPAJ-SNVBAGLBSA-N 0 3 224.373 3.154 20 0 BGADHN Cc1nc(C(C)C)oc1CN1[C@H](C)CC[C@H]1C ZINC000335854871 133939434 /nfs/dbraw/zinc/93/94/34/133939434.db2.gz ZJLJGUZRGDTWQI-GHMZBOCLSA-N 0 3 236.359 3.479 20 0 BGADHN Cc1nc(C(C)C)oc1CN1[C@H](C)CC[C@@H]1C ZINC000335854872 355598777 /nfs/dbraw/zinc/59/87/77/355598777.db2.gz ZJLJGUZRGDTWQI-PHIMTYICSA-N 0 3 236.359 3.479 20 0 BGADHN Cc1nc(C(C)C)oc1CN1[C@@H](C)CC[C@@H]1C ZINC000335854873 355598839 /nfs/dbraw/zinc/59/88/39/355598839.db2.gz ZJLJGUZRGDTWQI-QWRGUYRKSA-N 0 3 236.359 3.479 20 0 BGADHN CCc1nc(C)c(CN2CC[C@@H](C)[C@H](C)C2)o1 ZINC000335859899 355605266 /nfs/dbraw/zinc/60/52/66/355605266.db2.gz WYPYVVGNRDPAHT-GHMZBOCLSA-N 0 3 236.359 3.023 20 0 BGADHN CCc1nc(C)c(CN2CC[C@@H](C)[C@@H](C)C2)o1 ZINC000335859900 355605228 /nfs/dbraw/zinc/60/52/28/355605228.db2.gz WYPYVVGNRDPAHT-MNOVXSKESA-N 0 3 236.359 3.023 20 0 BGADHN CCc1nc(C)c(CN2CC[C@H](C)[C@@H](C)C2)o1 ZINC000335859901 355605745 /nfs/dbraw/zinc/60/57/45/355605745.db2.gz WYPYVVGNRDPAHT-QWRGUYRKSA-N 0 3 236.359 3.023 20 0 BGADHN CCc1nc(C)c(CN2CC[C@H](C)[C@H](C)C2)o1 ZINC000335859902 355605527 /nfs/dbraw/zinc/60/55/27/355605527.db2.gz WYPYVVGNRDPAHT-WDEREUQCSA-N 0 3 236.359 3.023 20 0 BGADHN C[C@@H](N[C@@H]1CCOc2c(F)cccc21)C1CC1 ZINC000335860389 355622689 /nfs/dbraw/zinc/62/26/89/355622689.db2.gz UTBGNZIJKKZXQZ-NOZJJQNGSA-N 0 3 235.302 3.037 20 0 BGADHN C[C@H](N[C@@H]1CCOc2c(F)cccc21)C1CC1 ZINC000335860391 355623057 /nfs/dbraw/zinc/62/30/57/355623057.db2.gz UTBGNZIJKKZXQZ-TVQRCGJNSA-N 0 3 235.302 3.037 20 0 BGADHN Clc1ccc(CN2CC[C@@H]3CCC[C@@H]32)nc1 ZINC000335861093 386943210 /nfs/dbraw/zinc/94/32/10/386943210.db2.gz PTSAAKUJKOZXSB-GWCFXTLKSA-N 0 3 236.746 3.109 20 0 BGADHN Clc1ccc(CN2CC[C@@H]3CCC[C@H]32)nc1 ZINC000335861094 386942779 /nfs/dbraw/zinc/94/27/79/386942779.db2.gz PTSAAKUJKOZXSB-GXFFZTMASA-N 0 3 236.746 3.109 20 0 BGADHN Clc1ccc(CN2CC[C@H]3CCC[C@@H]32)nc1 ZINC000335861206 355623796 /nfs/dbraw/zinc/62/37/96/355623796.db2.gz PTSAAKUJKOZXSB-MFKMUULPSA-N 0 3 236.746 3.109 20 0 BGADHN Clc1ccc(CN2CC[C@H]3CCC[C@H]32)nc1 ZINC000335861207 355624160 /nfs/dbraw/zinc/62/41/60/355624160.db2.gz PTSAAKUJKOZXSB-ZWNOBZJWSA-N 0 3 236.746 3.109 20 0 BGADHN Cc1cccnc1CN(C)[C@H]1CC[C@H](C)C1 ZINC000335877544 136356668 /nfs/dbraw/zinc/35/66/68/136356668.db2.gz VBNMBWQOPUOOMP-AAEUAGOBSA-N 0 3 218.344 3.010 20 0 BGADHN Cc1cccnc1CN(C)[C@@H]1CC[C@@H](C)C1 ZINC000335877545 136356369 /nfs/dbraw/zinc/35/63/69/136356369.db2.gz VBNMBWQOPUOOMP-DGCLKSJQSA-N 0 3 218.344 3.010 20 0 BGADHN Cc1cccnc1CN(C)[C@@H]1CC[C@H](C)C1 ZINC000335877546 136356412 /nfs/dbraw/zinc/35/64/12/136356412.db2.gz VBNMBWQOPUOOMP-WCQYABFASA-N 0 3 218.344 3.010 20 0 BGADHN Cc1cccnc1CN(C)[C@H]1CC[C@@H](C)C1 ZINC000335877547 136356436 /nfs/dbraw/zinc/35/64/36/136356436.db2.gz VBNMBWQOPUOOMP-YPMHNXCESA-N 0 3 218.344 3.010 20 0 BGADHN C[C@H]1CC[C@@H](N(C)Cc2cn3ccsc3n2)C1 ZINC000335879449 136356536 /nfs/dbraw/zinc/35/65/36/136356536.db2.gz ZPFXZZNFNRGCDR-CMPLNLGQSA-N 0 3 249.383 3.016 20 0 BGADHN C[C@H]1CC[C@H](N(C)Cc2cn3ccsc3n2)C1 ZINC000335879450 136356750 /nfs/dbraw/zinc/35/67/50/136356750.db2.gz ZPFXZZNFNRGCDR-JQWIXIFHSA-N 0 3 249.383 3.016 20 0 BGADHN C[C@@H]1CC[C@H](N(C)Cc2cn3ccsc3n2)C1 ZINC000335879451 136356683 /nfs/dbraw/zinc/35/66/83/136356683.db2.gz ZPFXZZNFNRGCDR-PWSUYJOCSA-N 0 3 249.383 3.016 20 0 BGADHN C[C@@H]1CC[C@@H](N(C)Cc2cn3ccsc3n2)C1 ZINC000335879452 136356415 /nfs/dbraw/zinc/35/64/15/136356415.db2.gz ZPFXZZNFNRGCDR-ZYHUDNBSSA-N 0 3 249.383 3.016 20 0 BGADHN Cc1nc(C(C)C)oc1CN1C[C@@H]2CCC[C@@H]2C1 ZINC000335879652 136356820 /nfs/dbraw/zinc/35/68/20/136356820.db2.gz NTAOMJLKMYWKPZ-BETUJISGSA-N 0 3 248.370 3.338 20 0 BGADHN Cc1nc(C(C)C)oc1CN1C[C@H]2CCC[C@@H]2C1 ZINC000335880119 355668256 /nfs/dbraw/zinc/66/82/56/355668256.db2.gz NTAOMJLKMYWKPZ-CHWSQXEVSA-N 0 3 248.370 3.338 20 0 BGADHN Cc1nc(C(C)C)oc1CN1C[C@@H]2CCC[C@H]2C1 ZINC000335880121 355668235 /nfs/dbraw/zinc/66/82/35/355668235.db2.gz NTAOMJLKMYWKPZ-STQMWFEESA-N 0 3 248.370 3.338 20 0 BGADHN Cc1ccc(CNC2CCC(F)(F)CC2)o1 ZINC000335883188 384552039 /nfs/dbraw/zinc/55/20/39/384552039.db2.gz OGSDJXBXHVVYCT-UHFFFAOYSA-N 0 3 229.270 3.256 20 0 BGADHN F[C@@H]1CCC[C@@H]1NCc1ccc2ncccc2c1 ZINC000335887092 355679039 /nfs/dbraw/zinc/67/90/39/355679039.db2.gz BPQFFLMFUDSNRJ-HIFRSBDPSA-N 0 3 244.313 3.215 20 0 BGADHN CCc1ncc(CN2CC[C@@H]3CCC[C@H]32)s1 ZINC000335891914 136359108 /nfs/dbraw/zinc/35/91/08/136359108.db2.gz HYYIPKQMZJHTIH-CMPLNLGQSA-N 0 3 236.384 3.080 20 0 BGADHN CCc1ncc(CN2CC[C@@H]3CCC[C@@H]32)s1 ZINC000335891915 136359061 /nfs/dbraw/zinc/35/90/61/136359061.db2.gz HYYIPKQMZJHTIH-JQWIXIFHSA-N 0 3 236.384 3.080 20 0 BGADHN CCc1ncc(CN2CC[C@H]3CCC[C@@H]32)s1 ZINC000335891916 136359047 /nfs/dbraw/zinc/35/90/47/136359047.db2.gz HYYIPKQMZJHTIH-PWSUYJOCSA-N 0 3 236.384 3.080 20 0 BGADHN CCc1ncc(CN2CC[C@H]3CCC[C@H]32)s1 ZINC000335891917 136359278 /nfs/dbraw/zinc/35/92/78/136359278.db2.gz HYYIPKQMZJHTIH-ZYHUDNBSSA-N 0 3 236.384 3.080 20 0 BGADHN Cc1ccc(CN[C@@H]2CCCC(F)(F)C2)cn1 ZINC000335892429 538101596 /nfs/dbraw/zinc/10/15/96/538101596.db2.gz HWVGZENCGPMSKX-GFCCVEGCSA-N 0 3 240.297 3.058 20 0 BGADHN Cc1ccc(CN[C@H]2CCCC(F)(F)C2)cn1 ZINC000335892433 538034294 /nfs/dbraw/zinc/03/42/94/538034294.db2.gz HWVGZENCGPMSKX-LBPRGKRZSA-N 0 3 240.297 3.058 20 0 BGADHN Cc1nc(C(C)C)oc1CN1CCCC1(C)C ZINC000335893949 355688260 /nfs/dbraw/zinc/68/82/60/355688260.db2.gz XQAWKSONFZWNBZ-UHFFFAOYSA-N 0 3 236.359 3.481 20 0 BGADHN CC1(C)CCN(CCC(F)(F)F)CCS1 ZINC000335894654 344044679 /nfs/dbraw/zinc/04/46/79/344044679.db2.gz QUFZTURAJIFVMZ-UHFFFAOYSA-N 0 3 241.322 3.156 20 0 BGADHN c1cnc2c(c1)cccc2CN1CCC12CCC2 ZINC000335895819 355691126 /nfs/dbraw/zinc/69/11/26/355691126.db2.gz OCONPRBBWQBGKP-UHFFFAOYSA-N 0 3 238.334 3.363 20 0 BGADHN c1ccc2c(c1)C=C(CN1CCC13CCC3)CO2 ZINC000335895946 355690721 /nfs/dbraw/zinc/69/07/21/355690721.db2.gz SXSCEBHSBQHXNJ-UHFFFAOYSA-N 0 3 241.334 3.091 20 0 BGADHN Cc1nocc1CNC1CCC(C)(C)CC1 ZINC000335909809 384677787 /nfs/dbraw/zinc/67/77/87/384677787.db2.gz YQLGRQKACMQDEJ-UHFFFAOYSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1cccc(CN(C)[C@@H]2CC[C@@H](C)C2)n1 ZINC000335912833 356136383 /nfs/dbraw/zinc/13/63/83/356136383.db2.gz YPKIAOLXXTYPLI-BXUZGUMPSA-N 0 3 218.344 3.010 20 0 BGADHN Cc1cccc(CN(C)[C@H]2CC[C@H](C)C2)n1 ZINC000335912834 356136428 /nfs/dbraw/zinc/13/64/28/356136428.db2.gz YPKIAOLXXTYPLI-FZMZJTMJSA-N 0 3 218.344 3.010 20 0 BGADHN Cc1cccc(CN(C)[C@H]2CC[C@@H](C)C2)n1 ZINC000335912835 356137705 /nfs/dbraw/zinc/13/77/05/356137705.db2.gz YPKIAOLXXTYPLI-RISCZKNCSA-N 0 3 218.344 3.010 20 0 BGADHN Cc1cccc(CN(C)[C@@H]2CC[C@H](C)C2)n1 ZINC000335912836 356137572 /nfs/dbraw/zinc/13/75/72/356137572.db2.gz YPKIAOLXXTYPLI-SMDDNHRTSA-N 0 3 218.344 3.010 20 0 BGADHN CC[C@@H]1CCCN1Cc1nc(C)c(C)s1 ZINC000335915785 356155764 /nfs/dbraw/zinc/15/57/64/356155764.db2.gz WIVMGQYBSDAADZ-LLVKDONJSA-N 0 3 224.373 3.134 20 0 BGADHN CC[C@H]1CCCN1Cc1nc(C)c(C)s1 ZINC000335915786 356155979 /nfs/dbraw/zinc/15/59/79/356155979.db2.gz WIVMGQYBSDAADZ-NSHDSACASA-N 0 3 224.373 3.134 20 0 BGADHN C[C@@H](N[C@H]1CCCC(C)(C)C1)c1ccncn1 ZINC000335916866 384684687 /nfs/dbraw/zinc/68/46/87/384684687.db2.gz SZXTWSCDVYQKPF-NEPJUHHUSA-N 0 3 233.359 3.096 20 0 BGADHN C[C@H](N[C@@H]1CCCC(C)(C)C1)c1ccncn1 ZINC000335916867 384683661 /nfs/dbraw/zinc/68/36/61/384683661.db2.gz SZXTWSCDVYQKPF-NWDGAFQWSA-N 0 3 233.359 3.096 20 0 BGADHN C[C@H](N[C@H]1CCCC(C)(C)C1)c1ccncn1 ZINC000335916868 135424235 /nfs/dbraw/zinc/42/42/35/135424235.db2.gz SZXTWSCDVYQKPF-RYUDHWBXSA-N 0 3 233.359 3.096 20 0 BGADHN C[C@@H](N[C@@H]1CCCC(C)(C)C1)c1ccncn1 ZINC000335916869 135424586 /nfs/dbraw/zinc/42/45/86/135424586.db2.gz SZXTWSCDVYQKPF-VXGBXAGGSA-N 0 3 233.359 3.096 20 0 BGADHN C[C@H](N[C@H]1CCCCC1(C)C)c1ccncn1 ZINC000335916873 384683733 /nfs/dbraw/zinc/68/37/33/384683733.db2.gz XAWZGZDFZJVYNC-AAEUAGOBSA-N 0 3 233.359 3.096 20 0 BGADHN C[C@@H](N[C@@H]1CCCCC1(C)C)c1ccncn1 ZINC000335916874 384683886 /nfs/dbraw/zinc/68/38/86/384683886.db2.gz XAWZGZDFZJVYNC-DGCLKSJQSA-N 0 3 233.359 3.096 20 0 BGADHN C[C@H](N[C@@H]1CCCCC1(C)C)c1ccncn1 ZINC000335916875 384683494 /nfs/dbraw/zinc/68/34/94/384683494.db2.gz XAWZGZDFZJVYNC-WCQYABFASA-N 0 3 233.359 3.096 20 0 BGADHN C[C@@H](N[C@H]1CCCCC1(C)C)c1ccncn1 ZINC000335916876 135424487 /nfs/dbraw/zinc/42/44/87/135424487.db2.gz XAWZGZDFZJVYNC-YPMHNXCESA-N 0 3 233.359 3.096 20 0 BGADHN C[C@@H](NC1CCC(C)(C)CC1)c1ccncn1 ZINC000335916889 384888023 /nfs/dbraw/zinc/88/80/23/384888023.db2.gz ZNHMGULHEDSZMW-LLVKDONJSA-N 0 3 233.359 3.096 20 0 BGADHN C[C@H](NC1CCC(C)(C)CC1)c1ccncn1 ZINC000335916890 384888502 /nfs/dbraw/zinc/88/85/02/384888502.db2.gz ZNHMGULHEDSZMW-NSHDSACASA-N 0 3 233.359 3.096 20 0 BGADHN C[C@@H]1c2ccccc2CN1CCC1CCOCC1 ZINC000335917938 356163711 /nfs/dbraw/zinc/16/37/11/356163711.db2.gz CZZOKEYNRXXNNF-CYBMUJFWSA-N 0 3 245.366 3.380 20 0 BGADHN C[C@H]1c2ccccc2CN1CCC1CCOCC1 ZINC000335917939 356164072 /nfs/dbraw/zinc/16/40/72/356164072.db2.gz CZZOKEYNRXXNNF-ZDUSSCGKSA-N 0 3 245.366 3.380 20 0 BGADHN Cc1cc([C@@H](C)NC2CCCCCC2)no1 ZINC000335918362 178223330 /nfs/dbraw/zinc/22/33/30/178223330.db2.gz OWRZNVNKVCLUAI-LLVKDONJSA-N 0 3 222.332 3.356 20 0 BGADHN Cc1cc([C@H](C)NC2CCCCCC2)no1 ZINC000335918363 178246062 /nfs/dbraw/zinc/24/60/62/178246062.db2.gz OWRZNVNKVCLUAI-NSHDSACASA-N 0 3 222.332 3.356 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CCC23CCCC3)nn1C ZINC000335919362 356166669 /nfs/dbraw/zinc/16/66/69/356166669.db2.gz QRXJBDLBQDZSCV-GXTWGEPZSA-N 0 3 247.386 3.102 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2CCC23CCCC3)nn1C ZINC000335919363 356167083 /nfs/dbraw/zinc/16/70/83/356167083.db2.gz QRXJBDLBQDZSCV-JSGCOSHPSA-N 0 3 247.386 3.102 20 0 BGADHN Cc1cc([C@@H](C)N[C@H]2CCC23CCCC3)nn1C ZINC000335919364 356166682 /nfs/dbraw/zinc/16/66/82/356166682.db2.gz QRXJBDLBQDZSCV-OCCSQVGLSA-N 0 3 247.386 3.102 20 0 BGADHN Cc1cc([C@@H](C)N[C@@H]2CCC23CCCC3)nn1C ZINC000335919365 133995894 /nfs/dbraw/zinc/99/58/94/133995894.db2.gz QRXJBDLBQDZSCV-TZMCWYRMSA-N 0 3 247.386 3.102 20 0 BGADHN c1nc(CN[C@@H]2CCCC23CCCC3)cs1 ZINC000335919417 384707250 /nfs/dbraw/zinc/70/72/50/384707250.db2.gz BILKJMAPJHRMIP-GFCCVEGCSA-N 0 3 236.384 3.346 20 0 BGADHN c1nc(CN[C@H]2CCCC23CCCC3)cs1 ZINC000335919418 384706812 /nfs/dbraw/zinc/70/68/12/384706812.db2.gz BILKJMAPJHRMIP-LBPRGKRZSA-N 0 3 236.384 3.346 20 0 BGADHN c1csc(CN[C@@H]2CCCC23CCCC3)n1 ZINC000335919448 384708073 /nfs/dbraw/zinc/70/80/73/384708073.db2.gz HMTIZKLJOOTLCD-LLVKDONJSA-N 0 3 236.384 3.346 20 0 BGADHN c1csc(CN[C@H]2CCCC23CCCC3)n1 ZINC000335919449 384707148 /nfs/dbraw/zinc/70/71/48/384707148.db2.gz HMTIZKLJOOTLCD-NSHDSACASA-N 0 3 236.384 3.346 20 0 BGADHN Cc1cc(CN[C@@H]2CCCC23CCCC3)on1 ZINC000335919468 135424009 /nfs/dbraw/zinc/42/40/09/135424009.db2.gz LDTSLZCTFABFCL-CYBMUJFWSA-N 0 3 234.343 3.186 20 0 BGADHN Cc1cc(CN[C@H]2CCCC23CCCC3)on1 ZINC000335919469 384707767 /nfs/dbraw/zinc/70/77/67/384707767.db2.gz LDTSLZCTFABFCL-ZDUSSCGKSA-N 0 3 234.343 3.186 20 0 BGADHN c1ccc([C@@H]2CCN2C[C@H]2CCCCO2)cc1 ZINC000335919659 356166802 /nfs/dbraw/zinc/16/68/02/356166802.db2.gz GAZASNHQAIZYQD-CABCVRRESA-N 0 3 231.339 3.003 20 0 BGADHN c1ccc([C@@H]2CCN2C[C@@H]2CCCCO2)cc1 ZINC000335919660 356167241 /nfs/dbraw/zinc/16/72/41/356167241.db2.gz GAZASNHQAIZYQD-GJZGRUSLSA-N 0 3 231.339 3.003 20 0 BGADHN c1ccc([C@H]2CCN2C[C@H]2CCCCO2)cc1 ZINC000335919661 356167033 /nfs/dbraw/zinc/16/70/33/356167033.db2.gz GAZASNHQAIZYQD-HUUCEWRRSA-N 0 3 231.339 3.003 20 0 BGADHN c1ccc([C@H]2CCN2C[C@@H]2CCCCO2)cc1 ZINC000335919662 356166632 /nfs/dbraw/zinc/16/66/32/356166632.db2.gz GAZASNHQAIZYQD-LSDHHAIUSA-N 0 3 231.339 3.003 20 0 BGADHN CC(C)n1nccc1CN1C[C@@H]2CCCC[C@H]2C1 ZINC000335920475 134006861 /nfs/dbraw/zinc/00/68/61/134006861.db2.gz JVCAMKQSMJUUBN-KBPBESRZSA-N 0 3 247.386 3.086 20 0 BGADHN CC(C)n1nccc1CN1C[C@H]2CCCC[C@@H]2C1 ZINC000335920477 134007121 /nfs/dbraw/zinc/00/71/21/134007121.db2.gz JVCAMKQSMJUUBN-ZIAGYGMSSA-N 0 3 247.386 3.086 20 0 BGADHN CC1(C)CN(Cc2nccs2)[C@@H]2CCC[C@H]21 ZINC000335930841 535356293 /nfs/dbraw/zinc/35/62/93/535356293.db2.gz FNLNXVNFYXVAJE-GHMZBOCLSA-N 0 3 236.384 3.154 20 0 BGADHN CC1(C)CN(Cc2nccs2)[C@H]2CCC[C@H]21 ZINC000335930842 535356272 /nfs/dbraw/zinc/35/62/72/535356272.db2.gz FNLNXVNFYXVAJE-MNOVXSKESA-N 0 3 236.384 3.154 20 0 BGADHN CC1(C)CN(Cc2nccs2)[C@H]2CCC[C@@H]21 ZINC000335930843 535356637 /nfs/dbraw/zinc/35/66/37/535356637.db2.gz FNLNXVNFYXVAJE-QWRGUYRKSA-N 0 3 236.384 3.154 20 0 BGADHN CC1(C)CN(Cc2nccs2)[C@@H]2CCC[C@@H]21 ZINC000335930844 535357334 /nfs/dbraw/zinc/35/73/34/535357334.db2.gz FNLNXVNFYXVAJE-WDEREUQCSA-N 0 3 236.384 3.154 20 0 BGADHN Cc1nocc1CN[C@@H]1CCCC(C)(C)C1 ZINC000335930861 384717335 /nfs/dbraw/zinc/71/73/35/384717335.db2.gz HUQVITGEOZUTEK-GFCCVEGCSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1nocc1CN[C@H]1CCCC(C)(C)C1 ZINC000335930862 384716750 /nfs/dbraw/zinc/71/67/50/384716750.db2.gz HUQVITGEOZUTEK-LBPRGKRZSA-N 0 3 222.332 3.041 20 0 BGADHN CC1(C)CN(Cc2cscn2)[C@H]2CCC[C@H]21 ZINC000335930869 134010597 /nfs/dbraw/zinc/01/05/97/134010597.db2.gz INEAQRCGHCSLOH-NEPJUHHUSA-N 0 3 236.384 3.154 20 0 BGADHN CC1(C)CN(Cc2cscn2)[C@@H]2CCC[C@@H]21 ZINC000335930870 134010308 /nfs/dbraw/zinc/01/03/08/134010308.db2.gz INEAQRCGHCSLOH-NWDGAFQWSA-N 0 3 236.384 3.154 20 0 BGADHN CC1(C)CN(Cc2cscn2)[C@H]2CCC[C@@H]21 ZINC000335930871 134010184 /nfs/dbraw/zinc/01/01/84/134010184.db2.gz INEAQRCGHCSLOH-RYUDHWBXSA-N 0 3 236.384 3.154 20 0 BGADHN CC1(C)CN(Cc2cscn2)[C@@H]2CCC[C@H]21 ZINC000335930872 134010358 /nfs/dbraw/zinc/01/03/58/134010358.db2.gz INEAQRCGHCSLOH-VXGBXAGGSA-N 0 3 236.384 3.154 20 0 BGADHN Cc1nocc1CN(C)C1CCCCCC1 ZINC000335941241 134017704 /nfs/dbraw/zinc/01/77/04/134017704.db2.gz DQAIWWDVMSYNOP-UHFFFAOYSA-N 0 3 222.332 3.138 20 0 BGADHN Cc1noc(C)c1C(C)(C)N[C@@H]1C=CCCC1 ZINC000335945546 134019831 /nfs/dbraw/zinc/01/98/31/134019831.db2.gz NBNUXXPEXYWHKU-GFCCVEGCSA-N 0 3 234.343 3.225 20 0 BGADHN Cc1noc(C)c1C(C)(C)N[C@H]1C=CCCC1 ZINC000335945547 134019719 /nfs/dbraw/zinc/01/97/19/134019719.db2.gz NBNUXXPEXYWHKU-LBPRGKRZSA-N 0 3 234.343 3.225 20 0 BGADHN Cc1noc(C)c1CN1CC[C@@H](C)C2(CCC2)C1 ZINC000335947151 134020500 /nfs/dbraw/zinc/02/05/00/134020500.db2.gz KMBFKJSYNKATJC-LLVKDONJSA-N 0 3 248.370 3.304 20 0 BGADHN Cc1noc(C)c1CN1CC[C@H](C)C2(CCC2)C1 ZINC000335947153 134020643 /nfs/dbraw/zinc/02/06/43/134020643.db2.gz KMBFKJSYNKATJC-NSHDSACASA-N 0 3 248.370 3.304 20 0 BGADHN C[C@H]1C[C@@H](NCC2=CCCOC2)c2ccccc21 ZINC000335956902 177331265 /nfs/dbraw/zinc/33/12/65/177331265.db2.gz UOLLTYYFTWYMCZ-BLLLJJGKSA-N 0 3 243.350 3.171 20 0 BGADHN C[C@H]1C[C@H](NCC2=CCCOC2)c2ccccc21 ZINC000335956903 177369724 /nfs/dbraw/zinc/36/97/24/177369724.db2.gz UOLLTYYFTWYMCZ-LRDDRELGSA-N 0 3 243.350 3.171 20 0 BGADHN C[C@@H]1C[C@@H](NCC2=CCCOC2)c2ccccc21 ZINC000335956904 176374977 /nfs/dbraw/zinc/37/49/77/176374977.db2.gz UOLLTYYFTWYMCZ-MLGOLLRUSA-N 0 3 243.350 3.171 20 0 BGADHN C[C@@H]1C[C@H](NCC2=CCCOC2)c2ccccc21 ZINC000335956905 384736255 /nfs/dbraw/zinc/73/62/55/384736255.db2.gz UOLLTYYFTWYMCZ-WBMJQRKESA-N 0 3 243.350 3.171 20 0 BGADHN C[C@H]1C[C@@H](NCc2ccn(C)c2)c2ccccc21 ZINC000335971442 134029520 /nfs/dbraw/zinc/02/95/20/134029520.db2.gz NERJSYRIZUCJNI-BLLLJJGKSA-N 0 3 240.350 3.363 20 0 BGADHN C[C@H]1C[C@H](NCc2ccn(C)c2)c2ccccc21 ZINC000335971443 134030223 /nfs/dbraw/zinc/03/02/23/134030223.db2.gz NERJSYRIZUCJNI-LRDDRELGSA-N 0 3 240.350 3.363 20 0 BGADHN C[C@@H]1C[C@@H](NCc2ccn(C)c2)c2ccccc21 ZINC000335971445 134030248 /nfs/dbraw/zinc/03/02/48/134030248.db2.gz NERJSYRIZUCJNI-MLGOLLRUSA-N 0 3 240.350 3.363 20 0 BGADHN C[C@@H]1C[C@H](NCc2ccn(C)c2)c2ccccc21 ZINC000335971446 134030109 /nfs/dbraw/zinc/03/01/09/134030109.db2.gz NERJSYRIZUCJNI-WBMJQRKESA-N 0 3 240.350 3.363 20 0 BGADHN Cc1noc(C)c1CN1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000335981105 134037845 /nfs/dbraw/zinc/03/78/45/134037845.db2.gz NSVQXZYWUVHPSR-ABAIWWIYSA-N 0 3 248.370 3.304 20 0 BGADHN Cc1noc(C)c1CN1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000335981107 134037588 /nfs/dbraw/zinc/03/75/88/134037588.db2.gz NSVQXZYWUVHPSR-IAQYHMDHSA-N 0 3 248.370 3.304 20 0 BGADHN Cc1noc(C)c1CN1CC[C@]2(CC[C@H](C)C2)C1 ZINC000335981110 134037858 /nfs/dbraw/zinc/03/78/58/134037858.db2.gz NSVQXZYWUVHPSR-NHYWBVRUSA-N 0 3 248.370 3.304 20 0 BGADHN Cc1noc(C)c1CN1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000335981436 134037633 /nfs/dbraw/zinc/03/76/33/134037633.db2.gz NSVQXZYWUVHPSR-XHDPSFHLSA-N 0 3 248.370 3.304 20 0 BGADHN C[C@@H]1c2ccccc2CN1CCc1ccncc1 ZINC000335989601 134039981 /nfs/dbraw/zinc/03/99/81/134039981.db2.gz GZMAECABNMCDOA-CYBMUJFWSA-N 0 3 238.334 3.201 20 0 BGADHN C[C@H]1c2ccccc2CN1CCc1ccncc1 ZINC000335989602 134039808 /nfs/dbraw/zinc/03/98/08/134039808.db2.gz GZMAECABNMCDOA-ZDUSSCGKSA-N 0 3 238.334 3.201 20 0 BGADHN c1sc(CN2C[C@@H]3CCC[C@H]3C2)nc1C1CC1 ZINC000335990109 134039877 /nfs/dbraw/zinc/03/98/77/134039877.db2.gz IJUYHRZRPLXCPJ-RYUDHWBXSA-N 0 3 248.395 3.252 20 0 BGADHN c1sc(CN2C[C@@H]3CCC[C@@H]3C2)nc1C1CC1 ZINC000335990110 134039798 /nfs/dbraw/zinc/03/97/98/134039798.db2.gz IJUYHRZRPLXCPJ-TXEJJXNPSA-N 0 3 248.395 3.252 20 0 BGADHN c1sc(CN2C[C@H]3CCC[C@@H]3C2)nc1C1CC1 ZINC000335990111 134039891 /nfs/dbraw/zinc/03/98/91/134039891.db2.gz IJUYHRZRPLXCPJ-VXGBXAGGSA-N 0 3 248.395 3.252 20 0 BGADHN CC(C)(C)[C@H]1CCN(Cc2nccs2)C1 ZINC000335992177 134040890 /nfs/dbraw/zinc/04/08/90/134040890.db2.gz YOFXNXKPEIPBOJ-JTQLQIEISA-N 0 3 224.373 3.011 20 0 BGADHN CC(C)(C)[C@@H]1CCN(Cc2nccs2)C1 ZINC000335992178 134040765 /nfs/dbraw/zinc/04/07/65/134040765.db2.gz YOFXNXKPEIPBOJ-SNVBAGLBSA-N 0 3 224.373 3.011 20 0 BGADHN Cc1cnc([C@H](C)N2CCC[C@H](C3CC3)C2)o1 ZINC000335993419 134041539 /nfs/dbraw/zinc/04/15/39/134041539.db2.gz CXRTUQQHHOOFBA-AAEUAGOBSA-N 0 3 234.343 3.166 20 0 BGADHN Cc1cnc([C@@H](C)N2CCC[C@@H](C3CC3)C2)o1 ZINC000335993420 134041568 /nfs/dbraw/zinc/04/15/68/134041568.db2.gz CXRTUQQHHOOFBA-DGCLKSJQSA-N 0 3 234.343 3.166 20 0 BGADHN Cc1cnc([C@H](C)N2CCC[C@@H](C3CC3)C2)o1 ZINC000335993421 134041589 /nfs/dbraw/zinc/04/15/89/134041589.db2.gz CXRTUQQHHOOFBA-WCQYABFASA-N 0 3 234.343 3.166 20 0 BGADHN Cc1cnc([C@@H](C)N2CCC[C@H](C3CC3)C2)o1 ZINC000335993422 134041410 /nfs/dbraw/zinc/04/14/10/134041410.db2.gz CXRTUQQHHOOFBA-YPMHNXCESA-N 0 3 234.343 3.166 20 0 BGADHN CC(C)(C)[C@H]1CCN(Cc2cncs2)C1 ZINC000335996465 134041989 /nfs/dbraw/zinc/04/19/89/134041989.db2.gz QKFATXMHUIVHAA-JTQLQIEISA-N 0 3 224.373 3.011 20 0 BGADHN CC(C)(C)[C@@H]1CCN(Cc2cncs2)C1 ZINC000335996466 134042247 /nfs/dbraw/zinc/04/22/47/134042247.db2.gz QKFATXMHUIVHAA-SNVBAGLBSA-N 0 3 224.373 3.011 20 0 BGADHN Cc1cc(CN2CCCC3(CCCC3)C2)on1 ZINC000336009196 134050093 /nfs/dbraw/zinc/05/00/93/134050093.db2.gz NSNXFVFAKOUCBQ-UHFFFAOYSA-N 0 3 234.343 3.139 20 0 BGADHN Cc1ncsc1CN1CC2(CCC2)C[C@@H]1C ZINC000336010881 134051441 /nfs/dbraw/zinc/05/14/41/134051441.db2.gz GEKKZNPXJXHPFM-JTQLQIEISA-N 0 3 236.384 3.216 20 0 BGADHN Cc1ncsc1CN1CC2(CCC2)C[C@H]1C ZINC000336010882 134051463 /nfs/dbraw/zinc/05/14/63/134051463.db2.gz GEKKZNPXJXHPFM-SNVBAGLBSA-N 0 3 236.384 3.216 20 0 BGADHN Cc1noc(C)c1CN1CC2(CCC2)[C@@H]1C1CC1 ZINC000336012123 134051589 /nfs/dbraw/zinc/05/15/89/134051589.db2.gz PMFXHZVCNKQPOV-AWEZNQCLSA-N 0 3 246.354 3.056 20 0 BGADHN Cc1noc(C)c1CN1CC2(CCC2)[C@H]1C1CC1 ZINC000336012124 134051896 /nfs/dbraw/zinc/05/18/96/134051896.db2.gz PMFXHZVCNKQPOV-CQSZACIVSA-N 0 3 246.354 3.056 20 0 BGADHN Cc1ccc(CN2CC3(CCC3)[C@@H]2C2CC2)nc1 ZINC000336012139 134051511 /nfs/dbraw/zinc/05/15/11/134051511.db2.gz RPZQKPVWPIXVCR-HNNXBMFYSA-N 0 3 242.366 3.155 20 0 BGADHN Cc1ccc(CN2CC3(CCC3)[C@H]2C2CC2)nc1 ZINC000336012140 134051583 /nfs/dbraw/zinc/05/15/83/134051583.db2.gz RPZQKPVWPIXVCR-OAHLLOKOSA-N 0 3 242.366 3.155 20 0 BGADHN C[C@@H]1C[C@@H](C)N(Cc2nc3ccccc3o2)C1 ZINC000336013172 134052108 /nfs/dbraw/zinc/05/21/08/134052108.db2.gz CCVWXEBYNWMGQM-GHMZBOCLSA-N 0 3 230.311 3.058 20 0 BGADHN C[C@@H]1C[C@H](C)N(Cc2nc3ccccc3o2)C1 ZINC000336013173 134052384 /nfs/dbraw/zinc/05/23/84/134052384.db2.gz CCVWXEBYNWMGQM-MNOVXSKESA-N 0 3 230.311 3.058 20 0 BGADHN C[C@H]1C[C@H](C)N(Cc2nc3ccccc3o2)C1 ZINC000336013174 134052360 /nfs/dbraw/zinc/05/23/60/134052360.db2.gz CCVWXEBYNWMGQM-QWRGUYRKSA-N 0 3 230.311 3.058 20 0 BGADHN C[C@@H]1C[C@H](C)CN1Cc1nc2ccccc2o1 ZINC000336013175 134052105 /nfs/dbraw/zinc/05/21/05/134052105.db2.gz CCVWXEBYNWMGQM-WDEREUQCSA-N 0 3 230.311 3.058 20 0 BGADHN Cc1ccccc1CN1CC2(CCC2(F)F)C1 ZINC000336018060 179271313 /nfs/dbraw/zinc/27/13/13/179271313.db2.gz XTYHPRDFCXYVHE-UHFFFAOYSA-N 0 3 237.293 3.226 20 0 BGADHN Cc1ccc(F)cc1NC(=O)C(C)C(F)(F)F ZINC000336030553 134058218 /nfs/dbraw/zinc/05/82/18/134058218.db2.gz WUHLEKGDDOSOSH-SSDOTTSWSA-N 0 3 249.207 3.271 20 0 BGADHN Cc1ccc(F)cc1NC(=O)C(C)C(F)(F)F ZINC000336030554 134058463 /nfs/dbraw/zinc/05/84/63/134058463.db2.gz WUHLEKGDDOSOSH-ZETCQYMHSA-N 0 3 249.207 3.271 20 0 BGADHN CC1CN(Cc2ccc(C(F)F)cc2)C1 ZINC000336039192 134060744 /nfs/dbraw/zinc/06/07/44/134060744.db2.gz PCYDPTCBGIGZHR-UHFFFAOYSA-N 0 3 211.255 3.076 20 0 BGADHN CN(Cc1ccccn1)[C@@H]1CCC(C)(C)C1 ZINC000336046909 134063434 /nfs/dbraw/zinc/06/34/34/134063434.db2.gz ZRRIXDGHOIPFHW-CYBMUJFWSA-N 0 3 218.344 3.092 20 0 BGADHN CN(Cc1ccccn1)[C@H]1CCC(C)(C)C1 ZINC000336046910 134063417 /nfs/dbraw/zinc/06/34/17/134063417.db2.gz ZRRIXDGHOIPFHW-ZDUSSCGKSA-N 0 3 218.344 3.092 20 0 BGADHN Cc1noc(C)c1CN(C)C1(C)CCCC1 ZINC000336089964 134077933 /nfs/dbraw/zinc/07/79/33/134077933.db2.gz PYCPPRZOQITVFN-UHFFFAOYSA-N 0 3 222.332 3.056 20 0 BGADHN c1nc(C2CC2)c(CN2CCCCCC2)s1 ZINC000336102609 538103095 /nfs/dbraw/zinc/10/30/95/538103095.db2.gz BWTYJVQEIVQFPZ-UHFFFAOYSA-N 0 3 236.384 3.397 20 0 BGADHN c1nc(C2CC2)c(CN2CCCC3(CC3)C2)s1 ZINC000336105455 538103069 /nfs/dbraw/zinc/10/30/69/538103069.db2.gz LEHBSCDEIQHHPK-UHFFFAOYSA-N 0 3 248.395 3.397 20 0 BGADHN CC1(C)[C@@H]2CN(Cc3scnc3C3CC3)C[C@@H]21 ZINC000336109103 538103034 /nfs/dbraw/zinc/10/30/34/538103034.db2.gz XFHILWAHLFCWIB-PHIMTYICSA-N 0 3 248.395 3.108 20 0 BGADHN CC1(C)CCCN1Cc1scnc1C1CC1 ZINC000336109527 538103020 /nfs/dbraw/zinc/10/30/20/538103020.db2.gz NUQVQMDKRSPBII-UHFFFAOYSA-N 0 3 236.384 3.395 20 0 BGADHN CCc1nc(C)c(CN2CCC[C@H]3CCC[C@H]32)o1 ZINC000336110446 134086603 /nfs/dbraw/zinc/08/66/03/134086603.db2.gz STAJIIGEIXSFMB-CHWSQXEVSA-N 0 3 248.370 3.310 20 0 BGADHN CCc1nc(C)c(CN2CCC[C@H]3CCC[C@@H]32)o1 ZINC000336110447 134086328 /nfs/dbraw/zinc/08/63/28/134086328.db2.gz STAJIIGEIXSFMB-OLZOCXBDSA-N 0 3 248.370 3.310 20 0 BGADHN CCc1nc(C)c(CN2CCC[C@@H]3CCC[C@H]32)o1 ZINC000336110448 134086549 /nfs/dbraw/zinc/08/65/49/134086549.db2.gz STAJIIGEIXSFMB-QWHCGFSZSA-N 0 3 248.370 3.310 20 0 BGADHN CCc1nc(C)c(CN2CCC[C@@H]3CCC[C@@H]32)o1 ZINC000336110449 134086192 /nfs/dbraw/zinc/08/61/92/134086192.db2.gz STAJIIGEIXSFMB-STQMWFEESA-N 0 3 248.370 3.310 20 0 BGADHN CCc1nc(C)c(CN2C[C@H](C)CC[C@H]2C)o1 ZINC000336110657 134086320 /nfs/dbraw/zinc/08/63/20/134086320.db2.gz DKBGLARCHFESSI-GHMZBOCLSA-N 0 3 236.359 3.166 20 0 BGADHN CCc1nc(C)c(CN2C[C@H](C)CC[C@@H]2C)o1 ZINC000336110658 134086526 /nfs/dbraw/zinc/08/65/26/134086526.db2.gz DKBGLARCHFESSI-MNOVXSKESA-N 0 3 236.359 3.166 20 0 BGADHN CCc1nc(C)c(CN2C[C@@H](C)CC[C@@H]2C)o1 ZINC000336110659 134086515 /nfs/dbraw/zinc/08/65/15/134086515.db2.gz DKBGLARCHFESSI-QWRGUYRKSA-N 0 3 236.359 3.166 20 0 BGADHN CCc1nc(C)c(CN2C[C@@H](C)CC[C@H]2C)o1 ZINC000336110660 350727496 /nfs/dbraw/zinc/72/74/96/350727496.db2.gz DKBGLARCHFESSI-WDEREUQCSA-N 0 3 236.359 3.166 20 0 BGADHN Cc1cnc([C@@H](C)N2CCC(C(C)C)CC2)cn1 ZINC000336110677 134086162 /nfs/dbraw/zinc/08/61/62/134086162.db2.gz GNHZAINTYVPXGU-CYBMUJFWSA-N 0 3 247.386 3.214 20 0 BGADHN Cc1cnc([C@H](C)N2CCC(C(C)C)CC2)cn1 ZINC000336110678 134086360 /nfs/dbraw/zinc/08/63/60/134086360.db2.gz GNHZAINTYVPXGU-ZDUSSCGKSA-N 0 3 247.386 3.214 20 0 BGADHN Cc1nc(C(C)C)oc1CN1C[C@@H]2[C@H](C1)C2(C)C ZINC000336111201 134086967 /nfs/dbraw/zinc/08/69/67/134086967.db2.gz IAIMPQSTQWZDAC-TXEJJXNPSA-N 0 3 248.370 3.194 20 0 BGADHN CCc1nc(C)c(CN2[C@H](C)CCC[C@H]2C)o1 ZINC000336112194 134086857 /nfs/dbraw/zinc/08/68/57/134086857.db2.gz RNDVMVSDFMTGBN-GHMZBOCLSA-N 0 3 236.359 3.308 20 0 BGADHN CCc1nc(C)c(CN2[C@@H](C)CCC[C@@H]2C)o1 ZINC000336112195 134087006 /nfs/dbraw/zinc/08/70/06/134087006.db2.gz RNDVMVSDFMTGBN-QWRGUYRKSA-N 0 3 236.359 3.308 20 0 BGADHN Cc1noc(C)c1CN1CC2(CCC2)[C@@H]1C(C)C ZINC000336113523 134087136 /nfs/dbraw/zinc/08/71/36/134087136.db2.gz NOJXKNGZNXCPCM-AWEZNQCLSA-N 0 3 248.370 3.302 20 0 BGADHN Cc1noc(C)c1CN1CC2(CCC2)[C@H]1C(C)C ZINC000336113524 134087100 /nfs/dbraw/zinc/08/71/00/134087100.db2.gz NOJXKNGZNXCPCM-CQSZACIVSA-N 0 3 248.370 3.302 20 0 BGADHN CCc1nc(C)c(CN2C[C@H](C)C[C@@H](C)C2)o1 ZINC000336115071 134088206 /nfs/dbraw/zinc/08/82/06/134088206.db2.gz ICXVZXUBCHTEPF-GHMZBOCLSA-N 0 3 236.359 3.023 20 0 BGADHN CCc1nc(C)c(CN2C[C@H](C)C[C@H](C)C2)o1 ZINC000336115072 134088160 /nfs/dbraw/zinc/08/81/60/134088160.db2.gz ICXVZXUBCHTEPF-PHIMTYICSA-N 0 3 236.359 3.023 20 0 BGADHN CCc1nc(C)c(CN2C[C@@H](C)C[C@H](C)C2)o1 ZINC000336115073 134088405 /nfs/dbraw/zinc/08/84/05/134088405.db2.gz ICXVZXUBCHTEPF-QWRGUYRKSA-N 0 3 236.359 3.023 20 0 BGADHN CCc1cnc(CN2CC[C@@H]3CCC[C@H]32)s1 ZINC000336115265 536036819 /nfs/dbraw/zinc/03/68/19/536036819.db2.gz FTAWKARJTYZQFR-CMPLNLGQSA-N 0 3 236.384 3.080 20 0 BGADHN CCc1cnc(CN2CC[C@@H]3CCC[C@@H]32)s1 ZINC000336115269 536037428 /nfs/dbraw/zinc/03/74/28/536037428.db2.gz FTAWKARJTYZQFR-JQWIXIFHSA-N 0 3 236.384 3.080 20 0 BGADHN CCc1cnc(CN2CC[C@H]3CCC[C@@H]32)s1 ZINC000336115271 134088265 /nfs/dbraw/zinc/08/82/65/134088265.db2.gz FTAWKARJTYZQFR-PWSUYJOCSA-N 0 3 236.384 3.080 20 0 BGADHN CCc1cnc(CN2CC[C@H]3CCC[C@H]32)s1 ZINC000336115274 134088262 /nfs/dbraw/zinc/08/82/62/134088262.db2.gz FTAWKARJTYZQFR-ZYHUDNBSSA-N 0 3 236.384 3.080 20 0 BGADHN Cc1nc(C(C)C)oc1CN1CCC[C@@H](C)C1 ZINC000336115386 134088193 /nfs/dbraw/zinc/08/81/93/134088193.db2.gz FTPFJTNDRFTHFQ-LLVKDONJSA-N 0 3 236.359 3.338 20 0 BGADHN Cc1nc(C(C)C)oc1CN1CCC[C@H](C)C1 ZINC000336115389 134088387 /nfs/dbraw/zinc/08/83/87/134088387.db2.gz FTPFJTNDRFTHFQ-NSHDSACASA-N 0 3 236.359 3.338 20 0 BGADHN CCc1nc(C)c(CN2CCCC[C@@H](C)C2)o1 ZINC000336116054 134088659 /nfs/dbraw/zinc/08/86/59/134088659.db2.gz UFVXNCKNKCFCST-LLVKDONJSA-N 0 3 236.359 3.167 20 0 BGADHN CCc1nc(C)c(CN2CCCC[C@H](C)C2)o1 ZINC000336116055 134088452 /nfs/dbraw/zinc/08/84/52/134088452.db2.gz UFVXNCKNKCFCST-NSHDSACASA-N 0 3 236.359 3.167 20 0 BGADHN Cc1cnc([C@H](C)N2CCC[C@H](C(C)C)C2)cn1 ZINC000336116470 134088568 /nfs/dbraw/zinc/08/85/68/134088568.db2.gz APVSCCRCYAJQTM-KBPBESRZSA-N 0 3 247.386 3.214 20 0 BGADHN Cc1cnc([C@@H](C)N2CCC[C@H](C(C)C)C2)cn1 ZINC000336116472 134088522 /nfs/dbraw/zinc/08/85/22/134088522.db2.gz APVSCCRCYAJQTM-KGLIPLIRSA-N 0 3 247.386 3.214 20 0 BGADHN Cc1cnc([C@H](C)N2CCC[C@@H](C(C)C)C2)cn1 ZINC000336116474 134088823 /nfs/dbraw/zinc/08/88/23/134088823.db2.gz APVSCCRCYAJQTM-UONOGXRCSA-N 0 3 247.386 3.214 20 0 BGADHN Cc1cnc([C@@H](C)N2CCC[C@@H](C(C)C)C2)cn1 ZINC000336116476 134088826 /nfs/dbraw/zinc/08/88/26/134088826.db2.gz APVSCCRCYAJQTM-ZIAGYGMSSA-N 0 3 247.386 3.214 20 0 BGADHN Cc1nc(C(C)C)oc1CN1CCC(C)CC1 ZINC000336118647 134089505 /nfs/dbraw/zinc/08/95/05/134089505.db2.gz CNPLBUWKULTVQF-UHFFFAOYSA-N 0 3 236.359 3.338 20 0 BGADHN C[C@H](N[C@H]1CC12CCCC2)c1cncc(F)c1 ZINC000336119679 388456571 /nfs/dbraw/zinc/45/65/71/388456571.db2.gz IXRZRUWKTJLKKE-GWCFXTLKSA-N 0 3 234.318 3.204 20 0 BGADHN C[C@H](N[C@@H]1CC12CCCC2)c1cncc(F)c1 ZINC000336119680 388456863 /nfs/dbraw/zinc/45/68/63/388456863.db2.gz IXRZRUWKTJLKKE-GXFFZTMASA-N 0 3 234.318 3.204 20 0 BGADHN C[C@@H](N[C@H]1CC12CCCC2)c1cncc(F)c1 ZINC000336119681 388456353 /nfs/dbraw/zinc/45/63/53/388456353.db2.gz IXRZRUWKTJLKKE-MFKMUULPSA-N 0 3 234.318 3.204 20 0 BGADHN C[C@@H](N[C@@H]1CC12CCCC2)c1cncc(F)c1 ZINC000336119682 388456160 /nfs/dbraw/zinc/45/61/60/388456160.db2.gz IXRZRUWKTJLKKE-ZWNOBZJWSA-N 0 3 234.318 3.204 20 0 BGADHN Cc1ncc([C@@H](C)N[C@@H]2CC23CCCC3)c(C)n1 ZINC000336119702 134089797 /nfs/dbraw/zinc/08/97/97/134089797.db2.gz KVKHBCXOUCYKJG-BXUZGUMPSA-N 0 3 245.370 3.077 20 0 BGADHN Cc1ncc([C@H](C)N[C@H]2CC23CCCC3)c(C)n1 ZINC000336119703 134089868 /nfs/dbraw/zinc/08/98/68/134089868.db2.gz KVKHBCXOUCYKJG-FZMZJTMJSA-N 0 3 245.370 3.077 20 0 BGADHN Cc1ncc([C@@H](C)N[C@H]2CC23CCCC3)c(C)n1 ZINC000336119704 134089922 /nfs/dbraw/zinc/08/99/22/134089922.db2.gz KVKHBCXOUCYKJG-RISCZKNCSA-N 0 3 245.370 3.077 20 0 BGADHN Cc1ncc([C@H](C)N[C@@H]2CC23CCCC3)c(C)n1 ZINC000336119705 134089741 /nfs/dbraw/zinc/08/97/41/134089741.db2.gz KVKHBCXOUCYKJG-SMDDNHRTSA-N 0 3 245.370 3.077 20 0 BGADHN CCc1nc(C)c(CN2CCCC23CCC3)o1 ZINC000336124953 134092425 /nfs/dbraw/zinc/09/24/25/134092425.db2.gz OKVLAIWWIQAZQX-UHFFFAOYSA-N 0 3 234.343 3.064 20 0 BGADHN Cc1cnc([C@@H](C)N2CC3(CCC3)C[C@@H]2C)o1 ZINC000336131917 134094748 /nfs/dbraw/zinc/09/47/48/134094748.db2.gz NQWPDYXZVLRPQY-CMPLNLGQSA-N 0 3 234.343 3.309 20 0 BGADHN Cc1cnc([C@H](C)N2CC3(CCC3)C[C@@H]2C)o1 ZINC000336131918 134094387 /nfs/dbraw/zinc/09/43/87/134094387.db2.gz NQWPDYXZVLRPQY-JQWIXIFHSA-N 0 3 234.343 3.309 20 0 BGADHN Cc1cnc([C@H](C)N2CC3(CCC3)C[C@H]2C)o1 ZINC000336131919 134094823 /nfs/dbraw/zinc/09/48/23/134094823.db2.gz NQWPDYXZVLRPQY-PWSUYJOCSA-N 0 3 234.343 3.309 20 0 BGADHN Cc1cnc([C@@H](C)N2CC3(CCC3)C[C@H]2C)o1 ZINC000336131920 134094912 /nfs/dbraw/zinc/09/49/12/134094912.db2.gz NQWPDYXZVLRPQY-ZYHUDNBSSA-N 0 3 234.343 3.309 20 0 BGADHN Cc1ccc2c(c1)CN(CCC1CCOCC1)C2 ZINC000336132023 134094464 /nfs/dbraw/zinc/09/44/64/134094464.db2.gz YQRVWOVVYIXMAR-UHFFFAOYSA-N 0 3 245.366 3.127 20 0 BGADHN CC(C)n1cc(CN2CC3(CCC3)C[C@H]2C)cn1 ZINC000336136945 134096449 /nfs/dbraw/zinc/09/64/49/134096449.db2.gz QTMQGYUPFTUHFH-CYBMUJFWSA-N 0 3 247.386 3.229 20 0 BGADHN CC(C)n1cc(CN2CC3(CCC3)C[C@@H]2C)cn1 ZINC000336136946 134096341 /nfs/dbraw/zinc/09/63/41/134096341.db2.gz QTMQGYUPFTUHFH-ZDUSSCGKSA-N 0 3 247.386 3.229 20 0 BGADHN Cc1ccc([C@@H]2CCCN2Cc2cnc[nH]2)cc1 ZINC000336141918 134100560 /nfs/dbraw/zinc/10/05/60/134100560.db2.gz WAQYNLVHJOTYRM-HNNXBMFYSA-N 0 3 241.338 3.055 20 0 BGADHN Cc1ccc([C@H]2CCCN2Cc2cnc[nH]2)cc1 ZINC000336141919 134100696 /nfs/dbraw/zinc/10/06/96/134100696.db2.gz WAQYNLVHJOTYRM-OAHLLOKOSA-N 0 3 241.338 3.055 20 0 BGADHN Cc1nc(CN[C@@H]2CCC23CCCC3)cs1 ZINC000336145060 384924520 /nfs/dbraw/zinc/92/45/20/384924520.db2.gz KOIFNWFYJKQIJB-GFCCVEGCSA-N 0 3 236.384 3.264 20 0 BGADHN Cc1nc(CN[C@H]2CCC23CCCC3)cs1 ZINC000336145061 384924057 /nfs/dbraw/zinc/92/40/57/384924057.db2.gz KOIFNWFYJKQIJB-LBPRGKRZSA-N 0 3 236.384 3.264 20 0 BGADHN Cc1ccoc1CN1CCC(C(F)F)CC1 ZINC000336145741 134101987 /nfs/dbraw/zinc/10/19/87/134101987.db2.gz YTOYRMXCFRUMQG-UHFFFAOYSA-N 0 3 229.270 3.065 20 0 BGADHN CC1=CCCN(Cc2scnc2C2CC2)C1 ZINC000336161370 538103461 /nfs/dbraw/zinc/10/34/61/538103461.db2.gz JJBJNYZRLJIGCW-UHFFFAOYSA-N 0 3 234.368 3.173 20 0 BGADHN C[C@H]1CCCN1Cc1c[nH]nc1-c1ccsc1 ZINC000336164522 134112669 /nfs/dbraw/zinc/11/26/69/134112669.db2.gz NTOHMBCYDJMRRL-JTQLQIEISA-N 0 3 247.367 3.123 20 0 BGADHN C[C@@H]1CCCN1Cc1c[nH]nc1-c1ccsc1 ZINC000336164523 134112598 /nfs/dbraw/zinc/11/25/98/134112598.db2.gz NTOHMBCYDJMRRL-SNVBAGLBSA-N 0 3 247.367 3.123 20 0 BGADHN C1=C/[C@@H](N2CCN(C3CCC3)CC2)CCCCC/1 ZINC000336166528 533480815 /nfs/dbraw/zinc/48/08/15/533480815.db2.gz RWYYQXRAWWVEDO-NFBGWVBBSA-N 0 3 248.414 3.045 20 0 BGADHN C1=C/[C@H](N2CCN(C3CCC3)CC2)CCCCC/1 ZINC000336166529 533479608 /nfs/dbraw/zinc/47/96/08/533479608.db2.gz RWYYQXRAWWVEDO-SZTZYQKNSA-N 0 3 248.414 3.045 20 0 BGADHN CCN1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000336166807 134113668 /nfs/dbraw/zinc/11/36/68/134113668.db2.gz NVNVOBXKUCXNTD-JTQLQIEISA-N 0 3 248.301 3.166 20 0 BGADHN CCN1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000336166808 535543939 /nfs/dbraw/zinc/54/39/39/535543939.db2.gz NVNVOBXKUCXNTD-SNVBAGLBSA-N 0 3 248.301 3.166 20 0 BGADHN Cc1cnc([C@@H](C)N2CC[C@H](C(C)(C)C)C2)o1 ZINC000336176753 134116972 /nfs/dbraw/zinc/11/69/72/134116972.db2.gz JRTNTBMHJNMFIP-NEPJUHHUSA-N 0 3 236.359 3.412 20 0 BGADHN Cc1cnc([C@H](C)N2CC[C@@H](C(C)(C)C)C2)o1 ZINC000336176758 134117115 /nfs/dbraw/zinc/11/71/15/134117115.db2.gz JRTNTBMHJNMFIP-NWDGAFQWSA-N 0 3 236.359 3.412 20 0 BGADHN Cc1cnc([C@H](C)N2CC[C@H](C(C)(C)C)C2)o1 ZINC000336176761 134117097 /nfs/dbraw/zinc/11/70/97/134117097.db2.gz JRTNTBMHJNMFIP-RYUDHWBXSA-N 0 3 236.359 3.412 20 0 BGADHN Cc1cnc([C@@H](C)N2CC[C@@H](C(C)(C)C)C2)o1 ZINC000336176770 134117228 /nfs/dbraw/zinc/11/72/28/134117228.db2.gz JRTNTBMHJNMFIP-VXGBXAGGSA-N 0 3 236.359 3.412 20 0 BGADHN Cc1nc(CN2CCC[C@@H]2C(C)(C)C)oc1C ZINC000336176838 134116929 /nfs/dbraw/zinc/11/69/29/134116929.db2.gz NCCUOXHXFUXNLV-GFCCVEGCSA-N 0 3 236.359 3.302 20 0 BGADHN Cc1nc(CN2CCC[C@H]2C(C)(C)C)oc1C ZINC000336176840 134117072 /nfs/dbraw/zinc/11/70/72/134117072.db2.gz NCCUOXHXFUXNLV-LBPRGKRZSA-N 0 3 236.359 3.302 20 0 BGADHN C[C@H](c1cnccn1)N1CCCCC(C)(C)C1 ZINC000336181090 134119434 /nfs/dbraw/zinc/11/94/34/134119434.db2.gz BSATWPHMQJJOQA-GFCCVEGCSA-N 0 3 233.359 3.050 20 0 BGADHN C[C@@H](c1cnccn1)N1CCCCC(C)(C)C1 ZINC000336181091 134119503 /nfs/dbraw/zinc/11/95/03/134119503.db2.gz BSATWPHMQJJOQA-LBPRGKRZSA-N 0 3 233.359 3.050 20 0 BGADHN Cc1ccc(CN2CC(C)(C)[C@@H]2C2CC2)cn1 ZINC000336184539 538103907 /nfs/dbraw/zinc/10/39/07/538103907.db2.gz XYMVRBIWKXRHLV-AWEZNQCLSA-N 0 3 230.355 3.010 20 0 BGADHN Cc1ccc(CN2CC(C)(C)[C@H]2C2CC2)cn1 ZINC000336184540 538103855 /nfs/dbraw/zinc/10/38/55/538103855.db2.gz XYMVRBIWKXRHLV-CQSZACIVSA-N 0 3 230.355 3.010 20 0 BGADHN CCc1cc(N2CCC[C@](C)(OC)CC2)ccn1 ZINC000336186784 134121647 /nfs/dbraw/zinc/12/16/47/134121647.db2.gz ZWBKTVACVQXHTN-HNNXBMFYSA-N 0 3 248.370 3.039 20 0 BGADHN CCc1cc(N2CCC[C@@](C)(OC)CC2)ccn1 ZINC000336186785 134121580 /nfs/dbraw/zinc/12/15/80/134121580.db2.gz ZWBKTVACVQXHTN-OAHLLOKOSA-N 0 3 248.370 3.039 20 0 BGADHN CCc1cc(N2CCC(C(F)F)CC2)ccn1 ZINC000336187800 536143509 /nfs/dbraw/zinc/14/35/09/536143509.db2.gz TVRNZYCRXBYMNQ-UHFFFAOYSA-N 0 3 240.297 3.126 20 0 BGADHN C1=C(CN2CCN(C3CCCC3)CC2)CCCC1 ZINC000336189523 134123021 /nfs/dbraw/zinc/12/30/21/134123021.db2.gz AZNWHFKXPQRQOY-UHFFFAOYSA-N 0 3 248.414 3.047 20 0 BGADHN C[C@@H]1CN([C@@H]2C=CCCC2)CCC1(F)F ZINC000336191120 134123244 /nfs/dbraw/zinc/12/32/44/134123244.db2.gz ZQTVYRJLESLEKU-GHMZBOCLSA-N 0 3 215.287 3.072 20 0 BGADHN C[C@@H]1CN([C@H]2C=CCCC2)CCC1(F)F ZINC000336191121 134123290 /nfs/dbraw/zinc/12/32/90/134123290.db2.gz ZQTVYRJLESLEKU-MNOVXSKESA-N 0 3 215.287 3.072 20 0 BGADHN C[C@H]1CN([C@H]2C=CCCC2)CCC1(F)F ZINC000336191122 134123397 /nfs/dbraw/zinc/12/33/97/134123397.db2.gz ZQTVYRJLESLEKU-QWRGUYRKSA-N 0 3 215.287 3.072 20 0 BGADHN C[C@H]1CN([C@@H]2C=CCCC2)CCC1(F)F ZINC000336191123 134123326 /nfs/dbraw/zinc/12/33/26/134123326.db2.gz ZQTVYRJLESLEKU-WDEREUQCSA-N 0 3 215.287 3.072 20 0 BGADHN CCc1cc(N2CCC(F)(F)[C@@H](C)C2)ccn1 ZINC000336194651 536144840 /nfs/dbraw/zinc/14/48/40/536144840.db2.gz WLGADLPXSPOCJN-JTQLQIEISA-N 0 3 240.297 3.126 20 0 BGADHN CCc1cc(N2CCC(F)(F)[C@H](C)C2)ccn1 ZINC000336194652 536144571 /nfs/dbraw/zinc/14/45/71/536144571.db2.gz WLGADLPXSPOCJN-SNVBAGLBSA-N 0 3 240.297 3.126 20 0 BGADHN FC1(F)CC[C@@H](CN2Cc3ccccc3C2)C1 ZINC000336198939 487690249 /nfs/dbraw/zinc/69/02/49/487690249.db2.gz SYENFVSHFPWNOU-LLVKDONJSA-N 0 3 237.293 3.438 20 0 BGADHN FC1(F)CC[C@H](CN2Cc3ccccc3C2)C1 ZINC000336198940 487690471 /nfs/dbraw/zinc/69/04/71/487690471.db2.gz SYENFVSHFPWNOU-NSHDSACASA-N 0 3 237.293 3.438 20 0 BGADHN C[C@@H]1c2ccccc2CN1CC1CCC(=O)CC1 ZINC000336199825 134128392 /nfs/dbraw/zinc/12/83/92/134128392.db2.gz VUKSBVCIUNMWNQ-GFCCVEGCSA-N 0 3 243.350 3.323 20 0 BGADHN C[C@H]1c2ccccc2CN1CC1CCC(=O)CC1 ZINC000336199826 134128337 /nfs/dbraw/zinc/12/83/37/134128337.db2.gz VUKSBVCIUNMWNQ-LBPRGKRZSA-N 0 3 243.350 3.323 20 0 BGADHN CS[C@@H]1CCN(c2ccnc3ccccc32)C1 ZINC000336202660 134130958 /nfs/dbraw/zinc/13/09/58/134130958.db2.gz DEOAWZMWEZSRIS-LLVKDONJSA-N 0 3 244.363 3.177 20 0 BGADHN CS[C@H]1CCN(c2ccnc3ccccc32)C1 ZINC000336202661 134131027 /nfs/dbraw/zinc/13/10/27/134131027.db2.gz DEOAWZMWEZSRIS-NSHDSACASA-N 0 3 244.363 3.177 20 0 BGADHN CC1(C)CCC[C@@H](CN[C@@H]2CCn3ccnc32)C1 ZINC000336208348 134133165 /nfs/dbraw/zinc/13/31/65/134133165.db2.gz DJVRGUMOWFHQJT-CHWSQXEVSA-N 0 3 247.386 3.134 20 0 BGADHN CC1(C)CCC[C@@H](CN[C@H]2CCn3ccnc32)C1 ZINC000336208349 134133522 /nfs/dbraw/zinc/13/35/22/134133522.db2.gz DJVRGUMOWFHQJT-OLZOCXBDSA-N 0 3 247.386 3.134 20 0 BGADHN CC1(C)CCC[C@H](CN[C@@H]2CCn3ccnc32)C1 ZINC000336208350 134133250 /nfs/dbraw/zinc/13/32/50/134133250.db2.gz DJVRGUMOWFHQJT-QWHCGFSZSA-N 0 3 247.386 3.134 20 0 BGADHN CC1(C)CCC[C@H](CN[C@H]2CCn3ccnc32)C1 ZINC000336208351 134133484 /nfs/dbraw/zinc/13/34/84/134133484.db2.gz DJVRGUMOWFHQJT-STQMWFEESA-N 0 3 247.386 3.134 20 0 BGADHN c1c2cccnc2oc1CN[C@@H]1CC12CCCC2 ZINC000336208500 134133385 /nfs/dbraw/zinc/13/33/85/134133385.db2.gz ODXYIHFUFYPQFH-CYBMUJFWSA-N 0 3 242.322 3.250 20 0 BGADHN c1c2cccnc2oc1CN[C@H]1CC12CCCC2 ZINC000336208501 134133559 /nfs/dbraw/zinc/13/35/59/134133559.db2.gz ODXYIHFUFYPQFH-ZDUSSCGKSA-N 0 3 242.322 3.250 20 0 BGADHN CC(C)C1CCC(N[C@@H]2CCn3ccnc32)CC1 ZINC000336208510 134133590 /nfs/dbraw/zinc/13/35/90/134133590.db2.gz PZKBLNSWHLZQSN-JXQTWKCFSA-N 0 3 247.386 3.132 20 0 BGADHN CC(C)C1CCC(N[C@H]2CCn3ccnc32)CC1 ZINC000336208511 134133042 /nfs/dbraw/zinc/13/30/42/134133042.db2.gz PZKBLNSWHLZQSN-RUXDESIVSA-N 0 3 247.386 3.132 20 0 BGADHN CC1(CN[C@@H]2CCn3ccnc32)CCCCCC1 ZINC000336208873 535158198 /nfs/dbraw/zinc/15/81/98/535158198.db2.gz WIVSPOVYOOYTFH-CYBMUJFWSA-N 0 3 247.386 3.278 20 0 BGADHN CC1(CN[C@H]2CCn3ccnc32)CCCCCC1 ZINC000336208874 134133196 /nfs/dbraw/zinc/13/31/96/134133196.db2.gz WIVSPOVYOOYTFH-ZDUSSCGKSA-N 0 3 247.386 3.278 20 0 BGADHN FC1(F)CC(NCc2cccc3ccoc32)C1 ZINC000336209985 134134050 /nfs/dbraw/zinc/13/40/50/134134050.db2.gz UBZFBYAYSJZZRG-UHFFFAOYSA-N 0 3 237.249 3.320 20 0 BGADHN Fc1cnccc1CN[C@@H]1CCC12CCCC2 ZINC000336209995 134133953 /nfs/dbraw/zinc/13/39/53/134133953.db2.gz UTHTXYXBVBOEQL-CYBMUJFWSA-N 0 3 234.318 3.033 20 0 BGADHN Fc1cnccc1CN[C@H]1CCC12CCCC2 ZINC000336209996 134133668 /nfs/dbraw/zinc/13/36/68/134133668.db2.gz UTHTXYXBVBOEQL-ZDUSSCGKSA-N 0 3 234.318 3.033 20 0 BGADHN CC1(C)CC[C@H]1NCc1cc2cccnc2o1 ZINC000336210087 386317709 /nfs/dbraw/zinc/31/77/09/386317709.db2.gz FBTOVMLUSISZCJ-GFCCVEGCSA-N 0 3 230.311 3.106 20 0 BGADHN CC1(C)CC[C@@H]1NCc1cc2cccnc2o1 ZINC000336210088 134133735 /nfs/dbraw/zinc/13/37/35/134133735.db2.gz FBTOVMLUSISZCJ-LBPRGKRZSA-N 0 3 230.311 3.106 20 0 BGADHN FCC1CCN(Cc2cc3cccnc3o2)CC1 ZINC000336210381 134134353 /nfs/dbraw/zinc/13/43/53/134134353.db2.gz ICPJTSGJGFUMNP-UHFFFAOYSA-N 0 3 248.301 3.009 20 0 BGADHN Fc1cnccc1CNC1CCC2(CC2)CC1 ZINC000336211292 487691137 /nfs/dbraw/zinc/69/11/37/487691137.db2.gz IWQULYHMCJJSNO-UHFFFAOYSA-N 0 3 234.318 3.033 20 0 BGADHN CC1(NCc2ccncc2F)CCCCC1 ZINC000336212897 487691037 /nfs/dbraw/zinc/69/10/37/487691037.db2.gz UQJKIKFPCCNAJX-UHFFFAOYSA-N 0 3 222.307 3.033 20 0 BGADHN Fc1cccc2c1CCC[C@@H]2NCc1cc[nH]c1 ZINC000336213103 134135565 /nfs/dbraw/zinc/13/55/65/134135565.db2.gz BRSJABBPBPPIIQ-HNNXBMFYSA-N 0 3 244.313 3.321 20 0 BGADHN Fc1cccc2c1CCC[C@H]2NCc1cc[nH]c1 ZINC000336213104 134135422 /nfs/dbraw/zinc/13/54/22/134135422.db2.gz BRSJABBPBPPIIQ-OAHLLOKOSA-N 0 3 244.313 3.321 20 0 BGADHN C[C@@H]1C[C@@H](NCc2cc[nH]c2)c2ccccc2O1 ZINC000336213758 134135834 /nfs/dbraw/zinc/13/58/34/134135834.db2.gz BGKWIAGSHGYCBX-BXUZGUMPSA-N 0 3 242.322 3.017 20 0 BGADHN Cc1sccc1CNC1CC(C)(F)C1 ZINC000336215484 134136989 /nfs/dbraw/zinc/13/69/89/134136989.db2.gz QIAWPLAAHPMZLA-UHFFFAOYSA-N 0 3 213.321 3.037 20 0 BGADHN Cc1cc(CNC2CC(C)(F)C2)cs1 ZINC000336215578 134136442 /nfs/dbraw/zinc/13/64/42/134136442.db2.gz YRLFSWZMZNGSDR-UHFFFAOYSA-N 0 3 213.321 3.037 20 0 BGADHN CC1(C)CCN(Cc2cc3cccnc3o2)C1 ZINC000336215601 535316149 /nfs/dbraw/zinc/31/61/49/535316149.db2.gz JLVYCAHGNOQOOC-UHFFFAOYSA-N 0 3 230.311 3.060 20 0 BGADHN Cc1cnccc1CN[C@@H]1CCCC(F)(F)C1 ZINC000336217552 134137953 /nfs/dbraw/zinc/13/79/53/134137953.db2.gz HSZXSOJOPAGENN-GFCCVEGCSA-N 0 3 240.297 3.058 20 0 BGADHN Cc1cnccc1CN[C@H]1CCCC(F)(F)C1 ZINC000336217553 134137960 /nfs/dbraw/zinc/13/79/60/134137960.db2.gz HSZXSOJOPAGENN-LBPRGKRZSA-N 0 3 240.297 3.058 20 0 BGADHN CN(Cc1cc2cccnc2o1)[C@@H]1CC1(C)C ZINC000336217759 134137879 /nfs/dbraw/zinc/13/78/79/134137879.db2.gz NPHOVJDDTPCDQT-GFCCVEGCSA-N 0 3 230.311 3.058 20 0 BGADHN CN(Cc1cc2cccnc2o1)[C@H]1CC1(C)C ZINC000336217760 134138066 /nfs/dbraw/zinc/13/80/66/134138066.db2.gz NPHOVJDDTPCDQT-LBPRGKRZSA-N 0 3 230.311 3.058 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CCCC2(C)C)no1 ZINC000336218194 178253700 /nfs/dbraw/zinc/25/37/00/178253700.db2.gz WMRMBKJIUPPDOM-CMPLNLGQSA-N 0 3 222.332 3.212 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2CCCC2(C)C)no1 ZINC000336218195 178258244 /nfs/dbraw/zinc/25/82/44/178258244.db2.gz WMRMBKJIUPPDOM-JQWIXIFHSA-N 0 3 222.332 3.212 20 0 BGADHN Cc1nnc([C@@H](C)N[C@@H]2CCCC2(C)C)s1 ZINC000336218318 134138141 /nfs/dbraw/zinc/13/81/41/134138141.db2.gz ZAAXXSDCPFHFAM-PSASIEDQSA-N 0 3 239.388 3.076 20 0 BGADHN Cc1nnc([C@@H](C)N[C@H]2CCCC2(C)C)s1 ZINC000336218319 384981618 /nfs/dbraw/zinc/98/16/18/384981618.db2.gz ZAAXXSDCPFHFAM-SCZZXKLOSA-N 0 3 239.388 3.076 20 0 BGADHN Cc1nnc([C@H](C)N[C@@H]2CCCC2(C)C)s1 ZINC000336218320 384982555 /nfs/dbraw/zinc/98/25/55/384982555.db2.gz ZAAXXSDCPFHFAM-WCBMZHEXSA-N 0 3 239.388 3.076 20 0 BGADHN Cc1nnc([C@H](C)N[C@H]2CCCC2(C)C)s1 ZINC000336218321 384980949 /nfs/dbraw/zinc/98/09/49/384980949.db2.gz ZAAXXSDCPFHFAM-WPRPVWTQSA-N 0 3 239.388 3.076 20 0 BGADHN c1[nH]nc2c1CCC[C@H]2NC1CCC2(CC2)CC1 ZINC000336218536 134138280 /nfs/dbraw/zinc/13/82/80/134138280.db2.gz SBXDFFSBEVKHLD-CYBMUJFWSA-N 0 3 245.370 3.100 20 0 BGADHN c1[nH]nc2c1CCC[C@@H]2NC1CCC2(CC2)CC1 ZINC000336218537 134138261 /nfs/dbraw/zinc/13/82/61/134138261.db2.gz SBXDFFSBEVKHLD-ZDUSSCGKSA-N 0 3 245.370 3.100 20 0 BGADHN Cc1cc(CN[C@H]2CCC[C@H]2F)cs1 ZINC000336219650 134138969 /nfs/dbraw/zinc/13/89/69/134138969.db2.gz UAUXNPWWFZXMLW-MNOVXSKESA-N 0 3 213.321 3.037 20 0 BGADHN Cc1cc(CN[C@@H]2CCC[C@@H]2F)cs1 ZINC000336219652 134138901 /nfs/dbraw/zinc/13/89/01/134138901.db2.gz UAUXNPWWFZXMLW-WDEREUQCSA-N 0 3 213.321 3.037 20 0 BGADHN Cc1nc(CNC23CCC(CC2)CC3)cs1 ZINC000336221533 386356005 /nfs/dbraw/zinc/35/60/05/386356005.db2.gz QATFWCDQXIAUCX-UHFFFAOYSA-N 0 3 236.384 3.264 20 0 BGADHN c1c2cccnc2oc1CN[C@@H]1C=CCCC1 ZINC000336222314 387062567 /nfs/dbraw/zinc/06/25/67/387062567.db2.gz VPPMULQDSJMOGC-GFCCVEGCSA-N 0 3 228.295 3.026 20 0 BGADHN c1c2cccnc2oc1CN[C@H]1C=CCCC1 ZINC000336222315 188228064 /nfs/dbraw/zinc/22/80/64/188228064.db2.gz VPPMULQDSJMOGC-LBPRGKRZSA-N 0 3 228.295 3.026 20 0 BGADHN Cc1nn(C(C)C)cc1CN1CCCC2(CC2)C1 ZINC000336223020 385478234 /nfs/dbraw/zinc/47/82/34/385478234.db2.gz JHYQJBNCQUNPMA-UHFFFAOYSA-N 0 3 247.386 3.148 20 0 BGADHN CCCN1CCC[C@H]1c1nc2ccccc2n1C ZINC000336225772 169200656 /nfs/dbraw/zinc/20/06/56/169200656.db2.gz PRJSTCVVAULCHG-AWEZNQCLSA-N 0 3 243.354 3.120 20 0 BGADHN CCCN1CCC[C@@H]1c1nc2ccccc2n1C ZINC000336225773 169198739 /nfs/dbraw/zinc/19/87/39/169198739.db2.gz PRJSTCVVAULCHG-CQSZACIVSA-N 0 3 243.354 3.120 20 0 BGADHN CC(C)[C@H]1CCN1Cc1cc2cccnc2o1 ZINC000336226106 387065347 /nfs/dbraw/zinc/06/53/47/387065347.db2.gz LKYIXCFYDDYMIX-CYBMUJFWSA-N 0 3 230.311 3.058 20 0 BGADHN CC(C)[C@@H]1CCN1Cc1cc2cccnc2o1 ZINC000336226109 187366237 /nfs/dbraw/zinc/36/62/37/187366237.db2.gz LKYIXCFYDDYMIX-ZDUSSCGKSA-N 0 3 230.311 3.058 20 0 BGADHN CC1=C(C)CN(Cc2cc3cccnc3o2)CC1 ZINC000336228809 168085689 /nfs/dbraw/zinc/08/56/89/168085689.db2.gz BEIRQWKFPSJLIT-UHFFFAOYSA-N 0 3 242.322 3.370 20 0 BGADHN CC1=C[C@@H](C)CN(Cc2cc3cccnc3o2)C1 ZINC000336229090 168123872 /nfs/dbraw/zinc/12/38/72/168123872.db2.gz UBSACDSDKPIJDM-LLVKDONJSA-N 0 3 242.322 3.226 20 0 BGADHN CC1=C[C@H](C)CN(Cc2cc3cccnc3o2)C1 ZINC000336229091 168128113 /nfs/dbraw/zinc/12/81/13/168128113.db2.gz UBSACDSDKPIJDM-NSHDSACASA-N 0 3 242.322 3.226 20 0 BGADHN c1c2cccnc2oc1CN1CC(C2CCC2)C1 ZINC000336229252 387067547 /nfs/dbraw/zinc/06/75/47/387067547.db2.gz VBKWMNSBBBGDGX-UHFFFAOYSA-N 0 3 242.322 3.060 20 0 BGADHN Cc1cnc(CN[C@H]2CC[C@H](C)CC2)s1 ZINC000336232150 388456787 /nfs/dbraw/zinc/45/67/87/388456787.db2.gz QAPDRLVOHVENOI-HOMQSWHASA-N 0 3 224.373 3.120 20 0 BGADHN Cc1cnc(CNC2CCC(F)(F)CC2)s1 ZINC000336232201 385037665 /nfs/dbraw/zinc/03/76/65/385037665.db2.gz WYIZMUYVNBJKLM-UHFFFAOYSA-N 0 3 246.326 3.119 20 0 BGADHN Cc1cc(CN[C@H]2CCc3ccccc32)ccn1 ZINC000336233721 178041093 /nfs/dbraw/zinc/04/10/93/178041093.db2.gz CDDPJAVNBKCPBM-INIZCTEOSA-N 0 3 238.334 3.167 20 0 BGADHN Cc1cc(CN[C@@H]2CCc3ccccc32)ccn1 ZINC000336233722 178035886 /nfs/dbraw/zinc/03/58/86/178035886.db2.gz CDDPJAVNBKCPBM-MRXNPFEDSA-N 0 3 238.334 3.167 20 0 BGADHN Cc1nn(C(C)(C)C)c(C)c1CN1CCCCC1 ZINC000336236895 180332383 /nfs/dbraw/zinc/33/23/83/180332383.db2.gz JZBSMWDPQNBZIG-UHFFFAOYSA-N 0 3 249.402 3.241 20 0 BGADHN c1nc(CN2CCCC23CCCCC3)cs1 ZINC000336247296 384856035 /nfs/dbraw/zinc/85/60/35/384856035.db2.gz GKIUQTZTNRLNDF-UHFFFAOYSA-N 0 3 236.384 3.442 20 0 BGADHN C[C@@H]1CN(CC2CC(F)(F)C2)CCC1(F)F ZINC000336253946 176287062 /nfs/dbraw/zinc/28/70/62/176287062.db2.gz AHSKCGWHDLSYKK-MRVPVSSYSA-N 0 3 239.256 3.009 20 0 BGADHN C[C@H]1CN(CC2CC(F)(F)C2)CCC1(F)F ZINC000336253949 177245618 /nfs/dbraw/zinc/24/56/18/177245618.db2.gz AHSKCGWHDLSYKK-QMMMGPOBSA-N 0 3 239.256 3.009 20 0 BGADHN CC(=O)c1cccc(CN2CCCC23CCC3)c1 ZINC000336257448 387086697 /nfs/dbraw/zinc/08/66/97/387086697.db2.gz INTPOXKVZVCDHA-UHFFFAOYSA-N 0 3 243.350 3.408 20 0 BGADHN CC(=O)c1ccc(CN2CCCC23CCC3)cc1 ZINC000336257668 387088415 /nfs/dbraw/zinc/08/84/15/387088415.db2.gz QOUVHDHWWGOKFS-UHFFFAOYSA-N 0 3 243.350 3.408 20 0 BGADHN F[C@H]1CCC[C@H]1NCc1cccc2cccnc21 ZINC000336259197 180942962 /nfs/dbraw/zinc/94/29/62/180942962.db2.gz YAKXVPAZDAMWAO-UONOGXRCSA-N 0 3 244.313 3.215 20 0 BGADHN OC1CCC2(CC1)CCN([C@H]1C=CCCC1)CC2 ZINC000336261033 183029660 /nfs/dbraw/zinc/02/96/60/183029660.db2.gz IIFJCXKRPVRPDQ-AWEZNQCLSA-N 0 3 249.398 3.112 20 0 BGADHN OC1CCC2(CC1)CCN([C@@H]1C=CCCC1)CC2 ZINC000336261034 183029790 /nfs/dbraw/zinc/02/97/90/183029790.db2.gz IIFJCXKRPVRPDQ-CQSZACIVSA-N 0 3 249.398 3.112 20 0 BGADHN Cc1cnc([C@H](C)N[C@H]2CCCC2(C)C)cn1 ZINC000336275872 387108119 /nfs/dbraw/zinc/10/81/19/387108119.db2.gz WACBTLGHHXBPAT-AAEUAGOBSA-N 0 3 233.359 3.014 20 0 BGADHN Cc1cnc([C@@H](C)N[C@@H]2CCCC2(C)C)cn1 ZINC000336275873 387108186 /nfs/dbraw/zinc/10/81/86/387108186.db2.gz WACBTLGHHXBPAT-DGCLKSJQSA-N 0 3 233.359 3.014 20 0 BGADHN Cc1cnc([C@H](C)N[C@@H]2CCCC2(C)C)cn1 ZINC000336275874 387108065 /nfs/dbraw/zinc/10/80/65/387108065.db2.gz WACBTLGHHXBPAT-WCQYABFASA-N 0 3 233.359 3.014 20 0 BGADHN Cc1cnc([C@@H](C)N[C@H]2CCCC2(C)C)cn1 ZINC000336275875 387108631 /nfs/dbraw/zinc/10/86/31/387108631.db2.gz WACBTLGHHXBPAT-YPMHNXCESA-N 0 3 233.359 3.014 20 0 BGADHN C[C@@H]1c2ccccc2CN1CCc1cncs1 ZINC000336279137 387111559 /nfs/dbraw/zinc/11/15/59/387111559.db2.gz HHODZLRUFKTTOL-LLVKDONJSA-N 0 3 244.363 3.262 20 0 BGADHN C[C@H]1c2ccccc2CN1CCc1cncs1 ZINC000336279138 387110755 /nfs/dbraw/zinc/11/07/55/387110755.db2.gz HHODZLRUFKTTOL-NSHDSACASA-N 0 3 244.363 3.262 20 0 BGADHN Cc1ccncc1CN[C@@H]1CCCC(F)(F)C1 ZINC000336283006 387117699 /nfs/dbraw/zinc/11/76/99/387117699.db2.gz MJJBDANXXMVSBJ-GFCCVEGCSA-N 0 3 240.297 3.058 20 0 BGADHN Cc1ccncc1CN[C@H]1CCCC(F)(F)C1 ZINC000336283007 387117746 /nfs/dbraw/zinc/11/77/46/387117746.db2.gz MJJBDANXXMVSBJ-LBPRGKRZSA-N 0 3 240.297 3.058 20 0 BGADHN Cc1nc(CN2[C@H](C)CCC2(C)C)oc1C ZINC000336304658 385004913 /nfs/dbraw/zinc/00/49/13/385004913.db2.gz RSJYXURVGBELGG-SECBINFHSA-N 0 3 222.332 3.054 20 0 BGADHN Cc1nc(CN2[C@@H](C)CCC2(C)C)oc1C ZINC000336304659 385004675 /nfs/dbraw/zinc/00/46/75/385004675.db2.gz RSJYXURVGBELGG-VIFPVBQESA-N 0 3 222.332 3.054 20 0 BGADHN C[C@@H]1C[C@@H](C)N(Cc2scnc2C2CC2)C1 ZINC000336309444 583859836 /nfs/dbraw/zinc/85/98/36/583859836.db2.gz SSSHCDKTGYZUIR-NXEZZACHSA-N 0 3 236.384 3.251 20 0 BGADHN C[C@H]1C[C@H](C)N(Cc2scnc2C2CC2)C1 ZINC000336309445 583860047 /nfs/dbraw/zinc/86/00/47/583860047.db2.gz SSSHCDKTGYZUIR-UWVGGRQHSA-N 0 3 236.384 3.251 20 0 BGADHN C[C@@H]1C[C@H](C)CN1Cc1scnc1C1CC1 ZINC000336309446 583860292 /nfs/dbraw/zinc/86/02/92/583860292.db2.gz SSSHCDKTGYZUIR-VHSXEESVSA-N 0 3 236.384 3.251 20 0 BGADHN C[C@@H]1C[C@H](C)N(Cc2scnc2C2CC2)C1 ZINC000336309447 583860252 /nfs/dbraw/zinc/86/02/52/583860252.db2.gz SSSHCDKTGYZUIR-ZJUUUORDSA-N 0 3 236.384 3.251 20 0 BGADHN c1nc(C2CC2)c(CN2CCCCC2)s1 ZINC000336312621 583858564 /nfs/dbraw/zinc/85/85/64/583858564.db2.gz AOEKWIXJEPCJMT-UHFFFAOYSA-N 0 3 222.357 3.006 20 0 BGADHN Cc1ccncc1[C@H](C)N[C@@H]1CC12CCCC2 ZINC000336313653 387139373 /nfs/dbraw/zinc/13/93/73/387139373.db2.gz YNQOZSRZOCSTBS-GXTWGEPZSA-N 0 3 230.355 3.373 20 0 BGADHN Cc1ccncc1[C@H](C)N[C@H]1CC12CCCC2 ZINC000336313654 387139388 /nfs/dbraw/zinc/13/93/88/387139388.db2.gz YNQOZSRZOCSTBS-JSGCOSHPSA-N 0 3 230.355 3.373 20 0 BGADHN Cc1ccncc1[C@@H](C)N[C@H]1CC12CCCC2 ZINC000336313655 387139311 /nfs/dbraw/zinc/13/93/11/387139311.db2.gz YNQOZSRZOCSTBS-OCCSQVGLSA-N 0 3 230.355 3.373 20 0 BGADHN Cc1ccncc1[C@@H](C)N[C@@H]1CC12CCCC2 ZINC000336313656 387139433 /nfs/dbraw/zinc/13/94/33/387139433.db2.gz YNQOZSRZOCSTBS-TZMCWYRMSA-N 0 3 230.355 3.373 20 0 BGADHN Cc1oncc1CN1CCCC2(CCCC2)C1 ZINC000336314251 385023688 /nfs/dbraw/zinc/02/36/88/385023688.db2.gz NDJRQTIQAHGVCQ-UHFFFAOYSA-N 0 3 234.343 3.139 20 0 BGADHN Cc1nocc1CN1CCC2(C1)CCCCC2 ZINC000336315267 385024533 /nfs/dbraw/zinc/02/45/33/385024533.db2.gz MDYZAKLEOZBWMS-UHFFFAOYSA-N 0 3 234.343 3.139 20 0 BGADHN Cc1noc([C@H]2CCCN2CC2CCCCC2)n1 ZINC000336315373 387142246 /nfs/dbraw/zinc/14/22/46/387142246.db2.gz CMBYZILOXIOKMY-CYBMUJFWSA-N 0 3 249.358 3.095 20 0 BGADHN Cc1noc([C@@H]2CCCN2CC2CCCCC2)n1 ZINC000336315381 387141422 /nfs/dbraw/zinc/14/14/22/387141422.db2.gz CMBYZILOXIOKMY-ZDUSSCGKSA-N 0 3 249.358 3.095 20 0 BGADHN CCc1nc(C)c(CN2CCCCC[C@H]2C)o1 ZINC000336316655 356335056 /nfs/dbraw/zinc/33/50/56/356335056.db2.gz TZLKZAJDFPJESM-LLVKDONJSA-N 0 3 236.359 3.310 20 0 BGADHN CCc1nc(C)c(CN2CCCCC[C@@H]2C)o1 ZINC000336316657 171953007 /nfs/dbraw/zinc/95/30/07/171953007.db2.gz TZLKZAJDFPJESM-NSHDSACASA-N 0 3 236.359 3.310 20 0 BGADHN Cn1ccnc1CN[C@@H]1CCCCC12CCCC2 ZINC000336322368 385188946 /nfs/dbraw/zinc/18/89/46/385188946.db2.gz REHMXZDAWQKNQA-CYBMUJFWSA-N 0 3 247.386 3.013 20 0 BGADHN Cn1ccnc1CN[C@H]1CCCCC12CCCC2 ZINC000336322369 385187176 /nfs/dbraw/zinc/18/71/76/385187176.db2.gz REHMXZDAWQKNQA-ZDUSSCGKSA-N 0 3 247.386 3.013 20 0 BGADHN c1csc(CN2CCC[C@H]2c2cccnc2)c1 ZINC000336324273 387152658 /nfs/dbraw/zinc/15/26/58/387152658.db2.gz FJYBRIRVABWDCC-AWEZNQCLSA-N 0 3 244.363 3.480 20 0 BGADHN c1csc(CN2CCC[C@@H]2c2cccnc2)c1 ZINC000336324274 387152199 /nfs/dbraw/zinc/15/21/99/387152199.db2.gz FJYBRIRVABWDCC-CQSZACIVSA-N 0 3 244.363 3.480 20 0 BGADHN CC(C)(C)n1cc(CN2CCCC23CCC3)cn1 ZINC000336326964 387154728 /nfs/dbraw/zinc/15/47/28/387154728.db2.gz KJZXMYXLIMAKSW-UHFFFAOYSA-N 0 3 247.386 3.157 20 0 BGADHN CCc1nocc1CN1CCC[C@H]2CCC[C@H]21 ZINC000336343330 172098859 /nfs/dbraw/zinc/09/88/59/172098859.db2.gz KUNXEDYYSXEPOX-BXUZGUMPSA-N 0 3 234.343 3.002 20 0 BGADHN CCc1nocc1CN1CCC[C@@H]2CCC[C@@H]21 ZINC000336343331 172098326 /nfs/dbraw/zinc/09/83/26/172098326.db2.gz KUNXEDYYSXEPOX-FZMZJTMJSA-N 0 3 234.343 3.002 20 0 BGADHN CCc1nocc1CN1CCC[C@H]2CCC[C@@H]21 ZINC000336343332 172097671 /nfs/dbraw/zinc/09/76/71/172097671.db2.gz KUNXEDYYSXEPOX-RISCZKNCSA-N 0 3 234.343 3.002 20 0 BGADHN CCc1nocc1CN1CCC[C@@H]2CCC[C@H]21 ZINC000336343333 172097823 /nfs/dbraw/zinc/09/78/23/172097823.db2.gz KUNXEDYYSXEPOX-SMDDNHRTSA-N 0 3 234.343 3.002 20 0 BGADHN FC(F)(F)C1=CCN(C2CCCC2)CC1 ZINC000336343655 385141061 /nfs/dbraw/zinc/14/10/61/385141061.db2.gz BEFMUYODVKEFHQ-UHFFFAOYSA-N 0 3 219.250 3.123 20 0 BGADHN Cc1csc(CN2CCC[C@@H]2C2CCC2)n1 ZINC000336344122 398318426 /nfs/dbraw/zinc/31/84/26/398318426.db2.gz MQUYGXBFMACKLL-GFCCVEGCSA-N 0 3 236.384 3.216 20 0 BGADHN Cc1csc(CN2CCC[C@H]2C2CCC2)n1 ZINC000336344123 398318343 /nfs/dbraw/zinc/31/83/43/398318343.db2.gz MQUYGXBFMACKLL-LBPRGKRZSA-N 0 3 236.384 3.216 20 0 BGADHN C[C@H]1CCC[C@H]1NCc1nc2cc(F)ccc2o1 ZINC000336352748 177142983 /nfs/dbraw/zinc/14/29/83/177142983.db2.gz QCLNXOMNPIXOQC-GXSJLCMTSA-N 0 3 248.301 3.245 20 0 BGADHN C[C@@H]1CCC[C@@H]1NCc1nc2cc(F)ccc2o1 ZINC000336352749 176132302 /nfs/dbraw/zinc/13/23/02/176132302.db2.gz QCLNXOMNPIXOQC-KOLCDFICSA-N 0 3 248.301 3.245 20 0 BGADHN C[C@@H]1CCC[C@H]1NCc1nc2cc(F)ccc2o1 ZINC000336352750 176150285 /nfs/dbraw/zinc/15/02/85/176150285.db2.gz QCLNXOMNPIXOQC-MWLCHTKSSA-N 0 3 248.301 3.245 20 0 BGADHN C[C@H]1CCC[C@@H]1NCc1nc2cc(F)ccc2o1 ZINC000336352751 177126681 /nfs/dbraw/zinc/12/66/81/177126681.db2.gz QCLNXOMNPIXOQC-ONGXEEELSA-N 0 3 248.301 3.245 20 0 BGADHN Clc1cnccc1CN1CC[C@@H]2CCC[C@@H]21 ZINC000336353057 387183038 /nfs/dbraw/zinc/18/30/38/387183038.db2.gz OQUFNKVJEVXOGK-GWCFXTLKSA-N 0 3 236.746 3.109 20 0 BGADHN Clc1cnccc1CN1CC[C@@H]2CCC[C@H]21 ZINC000336353058 387183316 /nfs/dbraw/zinc/18/33/16/387183316.db2.gz OQUFNKVJEVXOGK-GXFFZTMASA-N 0 3 236.746 3.109 20 0 BGADHN Clc1cnccc1CN1CC[C@H]2CCC[C@@H]21 ZINC000336353059 387183164 /nfs/dbraw/zinc/18/31/64/387183164.db2.gz OQUFNKVJEVXOGK-MFKMUULPSA-N 0 3 236.746 3.109 20 0 BGADHN Clc1cnccc1CN1CC[C@H]2CCC[C@H]21 ZINC000336353060 387183800 /nfs/dbraw/zinc/18/38/00/387183800.db2.gz OQUFNKVJEVXOGK-ZWNOBZJWSA-N 0 3 236.746 3.109 20 0 BGADHN Cc1nn(C(C)C)cc1CN1[C@@H](C)CC[C@@H]1C ZINC000336354590 387185003 /nfs/dbraw/zinc/18/50/03/387185003.db2.gz CCZIJNPSJGZNKF-RYUDHWBXSA-N 0 3 235.375 3.145 20 0 BGADHN Cc1nn(C(C)C)cc1CN1[C@H](C)CC[C@@H]1C ZINC000336354591 387185106 /nfs/dbraw/zinc/18/51/06/387185106.db2.gz CCZIJNPSJGZNKF-TXEJJXNPSA-N 0 3 235.375 3.145 20 0 BGADHN Cc1nn(C(C)C)cc1CN1[C@H](C)CC[C@H]1C ZINC000336354592 188055477 /nfs/dbraw/zinc/05/54/77/188055477.db2.gz CCZIJNPSJGZNKF-VXGBXAGGSA-N 0 3 235.375 3.145 20 0 BGADHN Cc1nc(CN2CC[C@H]3CCC[C@@H]32)sc1C ZINC000336377161 384215113 /nfs/dbraw/zinc/21/51/13/384215113.db2.gz PFRUPJIODDICKF-NEPJUHHUSA-N 0 3 236.384 3.134 20 0 BGADHN Cc1nc(CN2CC[C@@H]3CCC[C@H]32)sc1C ZINC000336377162 385203644 /nfs/dbraw/zinc/20/36/44/385203644.db2.gz PFRUPJIODDICKF-NWDGAFQWSA-N 0 3 236.384 3.134 20 0 BGADHN Cc1nc(CN2CC[C@@H]3CCC[C@@H]32)sc1C ZINC000336377163 385202678 /nfs/dbraw/zinc/20/26/78/385202678.db2.gz PFRUPJIODDICKF-RYUDHWBXSA-N 0 3 236.384 3.134 20 0 BGADHN Cc1nc(CN2CC[C@H]3CCC[C@H]32)sc1C ZINC000336377164 385202917 /nfs/dbraw/zinc/20/29/17/385202917.db2.gz PFRUPJIODDICKF-VXGBXAGGSA-N 0 3 236.384 3.134 20 0 BGADHN Cc1noc([C@H]2CCCCN2CC2CCCC2)n1 ZINC000336387048 387215787 /nfs/dbraw/zinc/21/57/87/387215787.db2.gz JAVZFKFPZPGCLI-CYBMUJFWSA-N 0 3 249.358 3.095 20 0 BGADHN Cc1noc([C@@H]2CCCCN2CC2CCCC2)n1 ZINC000336387049 387216170 /nfs/dbraw/zinc/21/61/70/387216170.db2.gz JAVZFKFPZPGCLI-ZDUSSCGKSA-N 0 3 249.358 3.095 20 0 BGADHN Fc1cc(F)c(CN[C@H]2CC[C@@H](F)C2)cc1F ZINC000336391406 387219507 /nfs/dbraw/zinc/21/95/07/387219507.db2.gz NYXDNIWXQKTZIO-BDAKNGLRSA-N 0 3 247.235 3.084 20 0 BGADHN Fc1cc(F)c(CN[C@@H]2CC[C@H](F)C2)cc1F ZINC000336391407 387220583 /nfs/dbraw/zinc/22/05/83/387220583.db2.gz NYXDNIWXQKTZIO-DTWKUNHWSA-N 0 3 247.235 3.084 20 0 BGADHN Fc1cc(F)c(CN[C@H]2CC[C@H](F)C2)cc1F ZINC000336391408 387220678 /nfs/dbraw/zinc/22/06/78/387220678.db2.gz NYXDNIWXQKTZIO-IUCAKERBSA-N 0 3 247.235 3.084 20 0 BGADHN Fc1cc(F)c(CN[C@@H]2CC[C@@H](F)C2)cc1F ZINC000336391409 387220724 /nfs/dbraw/zinc/22/07/24/387220724.db2.gz NYXDNIWXQKTZIO-RKDXNWHRSA-N 0 3 247.235 3.084 20 0 BGADHN Fc1cc(CN[C@H]2CC[C@@H](F)C2)cc(F)c1F ZINC000336391978 356358848 /nfs/dbraw/zinc/35/88/48/356358848.db2.gz PWUHSVZJNKNHAA-BDAKNGLRSA-N 0 3 247.235 3.084 20 0 BGADHN Fc1cc(CN[C@@H]2CC[C@H](F)C2)cc(F)c1F ZINC000336391979 356358622 /nfs/dbraw/zinc/35/86/22/356358622.db2.gz PWUHSVZJNKNHAA-DTWKUNHWSA-N 0 3 247.235 3.084 20 0 BGADHN Fc1cc(CN[C@H]2CC[C@H](F)C2)cc(F)c1F ZINC000336391981 356359016 /nfs/dbraw/zinc/35/90/16/356359016.db2.gz PWUHSVZJNKNHAA-IUCAKERBSA-N 0 3 247.235 3.084 20 0 BGADHN Fc1cc(CN[C@@H]2CC[C@@H](F)C2)cc(F)c1F ZINC000336391982 356358731 /nfs/dbraw/zinc/35/87/31/356358731.db2.gz PWUHSVZJNKNHAA-RKDXNWHRSA-N 0 3 247.235 3.084 20 0 BGADHN Cc1nccnc1[C@H](C)N[C@H]1CC2CCC1CC2 ZINC000336401098 180283736 /nfs/dbraw/zinc/28/37/36/180283736.db2.gz IQNGGPKUJRVMDH-ABXWRUBCSA-N 0 3 245.370 3.014 20 0 BGADHN Cc1nccnc1[C@@H](C)N[C@@H]1CC2CCC1CC2 ZINC000336401099 180281983 /nfs/dbraw/zinc/28/19/83/180281983.db2.gz IQNGGPKUJRVMDH-BLYZHGLHSA-N 0 3 245.370 3.014 20 0 BGADHN Cc1nccnc1[C@H](C)N[C@@H]1CC2CCC1CC2 ZINC000336401100 180283752 /nfs/dbraw/zinc/28/37/52/180283752.db2.gz IQNGGPKUJRVMDH-GFJIZPEISA-N 0 3 245.370 3.014 20 0 BGADHN Cc1nccnc1[C@@H](C)N[C@H]1CC2CCC1CC2 ZINC000336401101 180281334 /nfs/dbraw/zinc/28/13/34/180281334.db2.gz IQNGGPKUJRVMDH-RYSNWHEDSA-N 0 3 245.370 3.014 20 0 BGADHN Cc1nn(C(C)C)cc1CN1CCCC[C@H]1C ZINC000336407098 188056222 /nfs/dbraw/zinc/05/62/22/188056222.db2.gz ALDKABVLUWBHJZ-GFCCVEGCSA-N 0 3 235.375 3.147 20 0 BGADHN Cc1nn(C(C)C)cc1CN1CCCC[C@@H]1C ZINC000336407109 387237258 /nfs/dbraw/zinc/23/72/58/387237258.db2.gz ALDKABVLUWBHJZ-LBPRGKRZSA-N 0 3 235.375 3.147 20 0 BGADHN Cc1nn(C(C)C)cc1CN1CCC(C)CC1 ZINC000336407207 187368456 /nfs/dbraw/zinc/36/84/56/187368456.db2.gz VGTCEZWYACMZGL-UHFFFAOYSA-N 0 3 235.375 3.004 20 0 BGADHN Fc1ccc(CN[C@@H]2CCC23CCCC3)nc1 ZINC000336412073 387240419 /nfs/dbraw/zinc/24/04/19/387240419.db2.gz BVFKGTOVLMNFBZ-CYBMUJFWSA-N 0 3 234.318 3.033 20 0 BGADHN Fc1ccc(CN[C@H]2CCC23CCCC3)nc1 ZINC000336412074 387240960 /nfs/dbraw/zinc/24/09/60/387240960.db2.gz BVFKGTOVLMNFBZ-ZDUSSCGKSA-N 0 3 234.318 3.033 20 0 BGADHN CC(C)n1ccnc1CN1C[C@H](C)CC1(C)C ZINC000336414798 398318763 /nfs/dbraw/zinc/31/87/63/398318763.db2.gz LUZGXVJXNCPPCP-GFCCVEGCSA-N 0 3 235.375 3.084 20 0 BGADHN CC(C)n1ccnc1CN1C[C@@H](C)CC1(C)C ZINC000336414814 398318728 /nfs/dbraw/zinc/31/87/28/398318728.db2.gz LUZGXVJXNCPPCP-LBPRGKRZSA-N 0 3 235.375 3.084 20 0 BGADHN Cc1cc([C@H]2CCCN2CC2(C)CCC2)on1 ZINC000336418622 178266926 /nfs/dbraw/zinc/26/69/26/178266926.db2.gz IBSBVMVWHIPGBN-GFCCVEGCSA-N 0 3 234.343 3.310 20 0 BGADHN Cc1cc([C@@H]2CCCN2CC2(C)CCC2)on1 ZINC000336418623 178240469 /nfs/dbraw/zinc/24/04/69/178240469.db2.gz IBSBVMVWHIPGBN-LBPRGKRZSA-N 0 3 234.343 3.310 20 0 BGADHN Cc1ccc(CN(C)[C@@H]2CC[C@@H](C)C2)nc1 ZINC000336421400 386670787 /nfs/dbraw/zinc/67/07/87/386670787.db2.gz YYIZAWYSCHIADN-BXUZGUMPSA-N 0 3 218.344 3.010 20 0 BGADHN Cc1ccc(CN(C)[C@H]2CC[C@H](C)C2)nc1 ZINC000336421401 387253161 /nfs/dbraw/zinc/25/31/61/387253161.db2.gz YYIZAWYSCHIADN-FZMZJTMJSA-N 0 3 218.344 3.010 20 0 BGADHN Cc1ccc(CN(C)[C@H]2CC[C@@H](C)C2)nc1 ZINC000336421402 386669968 /nfs/dbraw/zinc/66/99/68/386669968.db2.gz YYIZAWYSCHIADN-RISCZKNCSA-N 0 3 218.344 3.010 20 0 BGADHN Cc1ccc(CN(C)[C@@H]2CC[C@H](C)C2)nc1 ZINC000336421403 386669219 /nfs/dbraw/zinc/66/92/19/386669219.db2.gz YYIZAWYSCHIADN-SMDDNHRTSA-N 0 3 218.344 3.010 20 0 BGADHN C[C@H]1CC[C@]2(CCN(Cc3cncs3)C2)C1 ZINC000336428093 177207998 /nfs/dbraw/zinc/20/79/98/177207998.db2.gz UPUWDVXODVZPTI-AAEUAGOBSA-N 0 3 236.384 3.155 20 0 BGADHN C[C@@H]1CC[C@@]2(CCN(Cc3cncs3)C2)C1 ZINC000336428094 176219388 /nfs/dbraw/zinc/21/93/88/176219388.db2.gz UPUWDVXODVZPTI-DGCLKSJQSA-N 0 3 236.384 3.155 20 0 BGADHN C[C@H]1CC[C@@]2(CCN(Cc3cncs3)C2)C1 ZINC000336428095 177196729 /nfs/dbraw/zinc/19/67/29/177196729.db2.gz UPUWDVXODVZPTI-WCQYABFASA-N 0 3 236.384 3.155 20 0 BGADHN C[C@@H]1CC[C@]2(CCN(Cc3cncs3)C2)C1 ZINC000336428096 176238540 /nfs/dbraw/zinc/23/85/40/176238540.db2.gz UPUWDVXODVZPTI-YPMHNXCESA-N 0 3 236.384 3.155 20 0 BGADHN Cc1cc([C@@H](C)NC2CCCCCC2)nn1C ZINC000336436702 178222071 /nfs/dbraw/zinc/22/20/71/178222071.db2.gz JHFRSQUTIBWZNR-GFCCVEGCSA-N 0 3 235.375 3.102 20 0 BGADHN Cc1cc([C@H](C)NC2CCCCCC2)nn1C ZINC000336436703 178245940 /nfs/dbraw/zinc/24/59/40/178245940.db2.gz JHFRSQUTIBWZNR-LBPRGKRZSA-N 0 3 235.375 3.102 20 0 BGADHN Cc1nocc1CN1CCC2(CCCC2)CC1 ZINC000336437726 383882716 /nfs/dbraw/zinc/88/27/16/383882716.db2.gz UMQDZZBBKUYOMZ-UHFFFAOYSA-N 0 3 234.343 3.139 20 0 BGADHN CC[C@H]1CCCN1Cc1nc2cccnc2s1 ZINC000336439330 387262275 /nfs/dbraw/zinc/26/22/75/387262275.db2.gz YBRWACXZXZIHHP-JTQLQIEISA-N 0 3 247.367 3.066 20 0 BGADHN CC[C@@H]1CCCN1Cc1nc2cccnc2s1 ZINC000336439331 356369716 /nfs/dbraw/zinc/36/97/16/356369716.db2.gz YBRWACXZXZIHHP-SNVBAGLBSA-N 0 3 247.367 3.066 20 0 BGADHN F[C@@H]1CCC[C@@H]1NCc1cccc2cc[nH]c21 ZINC000336441204 188192966 /nfs/dbraw/zinc/19/29/66/188192966.db2.gz LYPNLQRXFIERHU-OLZOCXBDSA-N 0 3 232.302 3.148 20 0 BGADHN Cc1cc(F)ccc1NC(=O)C(C)C(F)(F)F ZINC000336449513 178089031 /nfs/dbraw/zinc/08/90/31/178089031.db2.gz ZTLPRHVRVRBCIV-SSDOTTSWSA-N 0 3 249.207 3.271 20 0 BGADHN Cc1cc(F)ccc1NC(=O)C(C)C(F)(F)F ZINC000336449534 178089696 /nfs/dbraw/zinc/08/96/96/178089696.db2.gz ZTLPRHVRVRBCIV-ZETCQYMHSA-N 0 3 249.207 3.271 20 0 BGADHN C[C@H]1c2ccccc2CN1CC[C@H]1CCCO1 ZINC000336457402 387284598 /nfs/dbraw/zinc/28/45/98/387284598.db2.gz QJCIXCZULDLSBH-GXTWGEPZSA-N 0 3 231.339 3.132 20 0 BGADHN C[C@H]1c2ccccc2CN1CC[C@@H]1CCCO1 ZINC000336457419 387283836 /nfs/dbraw/zinc/28/38/36/387283836.db2.gz QJCIXCZULDLSBH-JSGCOSHPSA-N 0 3 231.339 3.132 20 0 BGADHN C[C@@H]1c2ccccc2CN1CC[C@@H]1CCCO1 ZINC000336457421 387284326 /nfs/dbraw/zinc/28/43/26/387284326.db2.gz QJCIXCZULDLSBH-OCCSQVGLSA-N 0 3 231.339 3.132 20 0 BGADHN C[C@@H]1c2ccccc2CN1CC[C@H]1CCCO1 ZINC000336457423 387283237 /nfs/dbraw/zinc/28/32/37/387283237.db2.gz QJCIXCZULDLSBH-TZMCWYRMSA-N 0 3 231.339 3.132 20 0 BGADHN Cc1nn(C(C)C)cc1CN1CCC(C)(C)C1 ZINC000336458415 387284541 /nfs/dbraw/zinc/28/45/41/387284541.db2.gz XTWLYDYPRYYNBD-UHFFFAOYSA-N 0 3 235.375 3.004 20 0 BGADHN FC(F)(F)C[C@H]1CCN([C@@H]2C=CCCC2)C1 ZINC000336458666 397904570 /nfs/dbraw/zinc/90/45/70/397904570.db2.gz WFLFTVRLFCJBKV-GHMZBOCLSA-N 0 3 233.277 3.369 20 0 BGADHN FC(F)(F)C[C@H]1CCN([C@H]2C=CCCC2)C1 ZINC000336458667 387284144 /nfs/dbraw/zinc/28/41/44/387284144.db2.gz WFLFTVRLFCJBKV-MNOVXSKESA-N 0 3 233.277 3.369 20 0 BGADHN FC(F)(F)C[C@@H]1CCN([C@H]2C=CCCC2)C1 ZINC000336458668 387283162 /nfs/dbraw/zinc/28/31/62/387283162.db2.gz WFLFTVRLFCJBKV-QWRGUYRKSA-N 0 3 233.277 3.369 20 0 BGADHN FC(F)(F)C[C@@H]1CCN([C@@H]2C=CCCC2)C1 ZINC000336458669 387283728 /nfs/dbraw/zinc/28/37/28/387283728.db2.gz WFLFTVRLFCJBKV-WDEREUQCSA-N 0 3 233.277 3.369 20 0 BGADHN CCc1ncc(CN2CCCC3(CC3)C2)s1 ZINC000336459424 172017960 /nfs/dbraw/zinc/01/79/60/172017960.db2.gz LJBNATCIUPRBAE-UHFFFAOYSA-N 0 3 236.384 3.082 20 0 BGADHN c1nc(C2CC2)c(CN2CCC23CCC3)s1 ZINC000336461447 537811051 /nfs/dbraw/zinc/81/10/51/537811051.db2.gz BFLTZNGAOMNQQY-UHFFFAOYSA-N 0 3 234.368 3.149 20 0 BGADHN CC1=CC[C@@H](NCc2noc3c2CCCC3)CC1 ZINC000336471564 168119645 /nfs/dbraw/zinc/11/96/45/168119645.db2.gz FBCCJWXTBURBNN-GFCCVEGCSA-N 0 3 246.354 3.142 20 0 BGADHN CC1=CC[C@H](NCc2noc3c2CCCC3)CC1 ZINC000336471565 168121990 /nfs/dbraw/zinc/12/19/90/168121990.db2.gz FBCCJWXTBURBNN-LBPRGKRZSA-N 0 3 246.354 3.142 20 0 BGADHN c1cnc2ccc(CN3CCC34CCC4)cc2c1 ZINC000336472104 387300786 /nfs/dbraw/zinc/30/07/86/387300786.db2.gz COYIHYPLYQYYAH-UHFFFAOYSA-N 0 3 238.334 3.363 20 0 BGADHN Cc1nc2ccccn2c1CN(C)C1CCCC1 ZINC000336472567 180107452 /nfs/dbraw/zinc/10/74/52/180107452.db2.gz CDUSITCODAFXAT-UHFFFAOYSA-N 0 3 243.354 3.017 20 0 BGADHN Cc1ccc2c(c1)CN(C[C@H]1CCSC1)C2 ZINC000336499759 188057611 /nfs/dbraw/zinc/05/76/11/188057611.db2.gz YSBSCKZLLQZDGC-GFCCVEGCSA-N 0 3 233.380 3.064 20 0 BGADHN Cc1ccc2c(c1)CN(C[C@@H]1CCSC1)C2 ZINC000336499760 188057267 /nfs/dbraw/zinc/05/72/67/188057267.db2.gz YSBSCKZLLQZDGC-LBPRGKRZSA-N 0 3 233.380 3.064 20 0 BGADHN C[C@@H]1CC[C@H](C)N1Cc1scnc1C1CC1 ZINC000336503030 537813244 /nfs/dbraw/zinc/81/32/44/537813244.db2.gz ONIPDINLYGHWQB-AOOOYVTPSA-N 0 3 236.384 3.393 20 0 BGADHN C[C@@H]1CC[C@@H](C)N1Cc1scnc1C1CC1 ZINC000336503031 537814184 /nfs/dbraw/zinc/81/41/84/537814184.db2.gz ONIPDINLYGHWQB-NXEZZACHSA-N 0 3 236.384 3.393 20 0 BGADHN C[C@H]1CC[C@H](C)N1Cc1scnc1C1CC1 ZINC000336503032 537813651 /nfs/dbraw/zinc/81/36/51/537813651.db2.gz ONIPDINLYGHWQB-UWVGGRQHSA-N 0 3 236.384 3.393 20 0 BGADHN Cc1cnc([C@H](C)N[C@H]2CC3CCC2CC3)cn1 ZINC000336503563 387328576 /nfs/dbraw/zinc/32/85/76/387328576.db2.gz QRPTWJDYMVPGQL-ABXWRUBCSA-N 0 3 245.370 3.014 20 0 BGADHN Cc1cnc([C@@H](C)N[C@@H]2CC3CCC2CC3)cn1 ZINC000336503564 387329575 /nfs/dbraw/zinc/32/95/75/387329575.db2.gz QRPTWJDYMVPGQL-BLYZHGLHSA-N 0 3 245.370 3.014 20 0 BGADHN Cc1cnc([C@H](C)N[C@@H]2CC3CCC2CC3)cn1 ZINC000336503565 387328790 /nfs/dbraw/zinc/32/87/90/387328790.db2.gz QRPTWJDYMVPGQL-GFJIZPEISA-N 0 3 245.370 3.014 20 0 BGADHN Cc1cnc([C@@H](C)N[C@H]2CC3CCC2CC3)cn1 ZINC000336503566 387328699 /nfs/dbraw/zinc/32/86/99/387328699.db2.gz QRPTWJDYMVPGQL-RYSNWHEDSA-N 0 3 245.370 3.014 20 0 BGADHN c1ccc2oc(CN3CC[C@@H](C4CC4)C3)nc2c1 ZINC000336511818 387335545 /nfs/dbraw/zinc/33/55/45/387335545.db2.gz MRGRZKJHHCSPGG-GFCCVEGCSA-N 0 3 242.322 3.060 20 0 BGADHN c1ccc2oc(CN3CC[C@H](C4CC4)C3)nc2c1 ZINC000336511819 387336176 /nfs/dbraw/zinc/33/61/76/387336176.db2.gz MRGRZKJHHCSPGG-LBPRGKRZSA-N 0 3 242.322 3.060 20 0 BGADHN Cc1cccc2c1CC[C@H]2NC1CC(F)(F)C1 ZINC000336514790 179217118 /nfs/dbraw/zinc/21/71/18/179217118.db2.gz CUVQIAUNTBVVQI-CYBMUJFWSA-N 0 3 237.293 3.370 20 0 BGADHN Cc1cccc2c1CC[C@@H]2NC1CC(F)(F)C1 ZINC000336514791 179214763 /nfs/dbraw/zinc/21/47/63/179214763.db2.gz CUVQIAUNTBVVQI-ZDUSSCGKSA-N 0 3 237.293 3.370 20 0 BGADHN Cc1nc(C(C)C)oc1CN1CC[C@H]2CCC[C@H]21 ZINC000336515434 387339780 /nfs/dbraw/zinc/33/97/80/387339780.db2.gz GEDYZLLPOAQZCM-CHWSQXEVSA-N 0 3 248.370 3.481 20 0 BGADHN Cc1nc(C(C)C)oc1CN1CC[C@H]2CCC[C@@H]21 ZINC000336515435 387339757 /nfs/dbraw/zinc/33/97/57/387339757.db2.gz GEDYZLLPOAQZCM-OLZOCXBDSA-N 0 3 248.370 3.481 20 0 BGADHN Cc1nc(C(C)C)oc1CN1CC[C@@H]2CCC[C@H]21 ZINC000336515436 387339978 /nfs/dbraw/zinc/33/99/78/387339978.db2.gz GEDYZLLPOAQZCM-QWHCGFSZSA-N 0 3 248.370 3.481 20 0 BGADHN Cc1nc(C(C)C)oc1CN1CC[C@@H]2CCC[C@@H]21 ZINC000336515437 387338870 /nfs/dbraw/zinc/33/88/70/387338870.db2.gz GEDYZLLPOAQZCM-STQMWFEESA-N 0 3 248.370 3.481 20 0 BGADHN Cc1cc([C@@H](C)NC2CCC(F)(F)CC2)no1 ZINC000336530976 178223431 /nfs/dbraw/zinc/22/34/31/178223431.db2.gz YLGMVZHWYWKUSA-SECBINFHSA-N 0 3 244.285 3.212 20 0 BGADHN Cc1cc([C@H](C)NC2CCC(F)(F)CC2)no1 ZINC000336530977 178244946 /nfs/dbraw/zinc/24/49/46/178244946.db2.gz YLGMVZHWYWKUSA-VIFPVBQESA-N 0 3 244.285 3.212 20 0 BGADHN Cc1nn(C(C)C)cc1CN1C[C@@H]2CCC[C@H]2C1 ZINC000336533314 188231212 /nfs/dbraw/zinc/23/12/12/188231212.db2.gz LNYUIIOFFXPUSG-KBPBESRZSA-N 0 3 247.386 3.004 20 0 BGADHN Cc1nn(C(C)C)cc1CN1C[C@@H]2CCC[C@@H]2C1 ZINC000336533315 387354963 /nfs/dbraw/zinc/35/49/63/387354963.db2.gz LNYUIIOFFXPUSG-OKILXGFUSA-N 0 3 247.386 3.004 20 0 BGADHN Cc1nn(C(C)C)cc1CN1C[C@H]2CCC[C@@H]2C1 ZINC000336533316 188231418 /nfs/dbraw/zinc/23/14/18/188231418.db2.gz LNYUIIOFFXPUSG-ZIAGYGMSSA-N 0 3 247.386 3.004 20 0 BGADHN Cc1nc(C(C)C)oc1CN1CCCC[C@H]1C ZINC000336547328 387367837 /nfs/dbraw/zinc/36/78/37/387367837.db2.gz DPQHXTFIGDVSKB-LLVKDONJSA-N 0 3 236.359 3.481 20 0 BGADHN Cc1nc(C(C)C)oc1CN1CCCC[C@@H]1C ZINC000336547329 387367608 /nfs/dbraw/zinc/36/76/08/387367608.db2.gz DPQHXTFIGDVSKB-NSHDSACASA-N 0 3 236.359 3.481 20 0 BGADHN CCc1noc(C)c1CN1CCC[C@H]2CCC[C@H]21 ZINC000336551571 172077484 /nfs/dbraw/zinc/07/74/84/172077484.db2.gz WKYRWKRDJXGLJX-IUODEOHRSA-N 0 3 248.370 3.310 20 0 BGADHN CCc1noc(C)c1CN1CCC[C@@H]2CCC[C@H]21 ZINC000336551572 172077961 /nfs/dbraw/zinc/07/79/61/172077961.db2.gz WKYRWKRDJXGLJX-SWLSCSKDSA-N 0 3 248.370 3.310 20 0 BGADHN Cc1ncsc1CN1CCC(C)(C)CC1 ZINC000336552287 180316556 /nfs/dbraw/zinc/31/65/56/180316556.db2.gz WRLCMCZTSWSTNH-UHFFFAOYSA-N 0 3 224.373 3.074 20 0 BGADHN Cc1nc(CN2CCCC2(C)C)c(C)s1 ZINC000336556133 384132859 /nfs/dbraw/zinc/13/28/59/384132859.db2.gz LELFYCDKXJXVHY-UHFFFAOYSA-N 0 3 224.373 3.134 20 0 BGADHN Cc1ncc(CN2CC(C)(C)[C@H]2C2CC2)s1 ZINC000336561248 180140767 /nfs/dbraw/zinc/14/07/67/180140767.db2.gz PYUAJLOHEPAENW-GFCCVEGCSA-N 0 3 236.384 3.072 20 0 BGADHN Cc1ncc(CN2CC(C)(C)[C@@H]2C2CC2)s1 ZINC000336561250 180139337 /nfs/dbraw/zinc/13/93/37/180139337.db2.gz PYUAJLOHEPAENW-LBPRGKRZSA-N 0 3 236.384 3.072 20 0 BGADHN Cc1ncccc1CN1CC(C)(C)[C@@H]1C1CC1 ZINC000336561949 180219119 /nfs/dbraw/zinc/21/91/19/180219119.db2.gz ZAOKIZUDOGDSIP-AWEZNQCLSA-N 0 3 230.355 3.010 20 0 BGADHN Cc1ncccc1CN1CC(C)(C)[C@H]1C1CC1 ZINC000336561950 180218192 /nfs/dbraw/zinc/21/81/92/180218192.db2.gz ZAOKIZUDOGDSIP-CQSZACIVSA-N 0 3 230.355 3.010 20 0 BGADHN Cc1nn(C(C)C)cc1CN1CCC[C@@H](C)C1 ZINC000336562768 387389128 /nfs/dbraw/zinc/38/91/28/387389128.db2.gz QQBSPUXNLHHPFX-GFCCVEGCSA-N 0 3 235.375 3.004 20 0 BGADHN Cc1nn(C(C)C)cc1CN1CCC[C@H](C)C1 ZINC000336562769 387389632 /nfs/dbraw/zinc/38/96/32/387389632.db2.gz QQBSPUXNLHHPFX-LBPRGKRZSA-N 0 3 235.375 3.004 20 0 BGADHN CC1CCN(Cc2scnc2C2CC2)CC1 ZINC000336567029 583901700 /nfs/dbraw/zinc/90/17/00/583901700.db2.gz QARILQNARVWHTO-UHFFFAOYSA-N 0 3 236.384 3.252 20 0 BGADHN Fc1ccc(CNC2CCC3(CC3)CC2)nc1 ZINC000336568459 387392958 /nfs/dbraw/zinc/39/29/58/387392958.db2.gz ULTLOENCECFBOO-UHFFFAOYSA-N 0 3 234.318 3.033 20 0 BGADHN C[C@H]1C[C@H](C)N1Cc1c[nH]nc1-c1ccccc1 ZINC000336570239 177360429 /nfs/dbraw/zinc/36/04/29/177360429.db2.gz JFQPCFNLXLBTMN-RYUDHWBXSA-N 0 3 241.338 3.059 20 0 BGADHN C[C@@H]1C[C@H](C)N1Cc1c[nH]nc1-c1ccccc1 ZINC000336570240 177320398 /nfs/dbraw/zinc/32/03/98/177320398.db2.gz JFQPCFNLXLBTMN-TXEJJXNPSA-N 0 3 241.338 3.059 20 0 BGADHN C[C@@H]1C[C@@H](C)N1Cc1c[nH]nc1-c1ccccc1 ZINC000336570241 176363783 /nfs/dbraw/zinc/36/37/83/176363783.db2.gz JFQPCFNLXLBTMN-VXGBXAGGSA-N 0 3 241.338 3.059 20 0 BGADHN C[C@@H]1CCN(Cc2scnc2C2CC2)[C@@H]1C ZINC000336583938 541429264 /nfs/dbraw/zinc/42/92/64/541429264.db2.gz MIZBHKWUESCODJ-NXEZZACHSA-N 0 3 236.384 3.251 20 0 BGADHN C[C@H]1CCN(Cc2scnc2C2CC2)[C@H]1C ZINC000336583939 541429329 /nfs/dbraw/zinc/42/93/29/541429329.db2.gz MIZBHKWUESCODJ-UWVGGRQHSA-N 0 3 236.384 3.251 20 0 BGADHN C[C@@H]1[C@@H](C)CCN1Cc1scnc1C1CC1 ZINC000336583940 541429170 /nfs/dbraw/zinc/42/91/70/541429170.db2.gz MIZBHKWUESCODJ-VHSXEESVSA-N 0 3 236.384 3.251 20 0 BGADHN C[C@@H]1CCN(Cc2scnc2C2CC2)[C@H]1C ZINC000336583941 541429394 /nfs/dbraw/zinc/42/93/94/541429394.db2.gz MIZBHKWUESCODJ-ZJUUUORDSA-N 0 3 236.384 3.251 20 0 BGADHN Cc1cnc(CN2CCC[C@@H](C(C)(C)C)C2)o1 ZINC000336588676 387415068 /nfs/dbraw/zinc/41/50/68/387415068.db2.gz KTPMPFYLLANPQG-GFCCVEGCSA-N 0 3 236.359 3.241 20 0 BGADHN Cc1cnc(CN2CCC[C@H](C(C)(C)C)C2)o1 ZINC000336588677 387415005 /nfs/dbraw/zinc/41/50/05/387415005.db2.gz KTPMPFYLLANPQG-LBPRGKRZSA-N 0 3 236.359 3.241 20 0 BGADHN C[C@@H]1CCC[C@H]1NCc1nc2ccccc2o1 ZINC000336598412 176150575 /nfs/dbraw/zinc/15/05/75/176150575.db2.gz HHKFRCNAAQHPLC-GHMZBOCLSA-N 0 3 230.311 3.106 20 0 BGADHN C[C@@H]1CCC[C@@H]1NCc1nc2ccccc2o1 ZINC000336598413 176131700 /nfs/dbraw/zinc/13/17/00/176131700.db2.gz HHKFRCNAAQHPLC-MNOVXSKESA-N 0 3 230.311 3.106 20 0 BGADHN C[C@H]1CCC[C@@H]1NCc1nc2ccccc2o1 ZINC000336598414 177126720 /nfs/dbraw/zinc/12/67/20/177126720.db2.gz HHKFRCNAAQHPLC-QWRGUYRKSA-N 0 3 230.311 3.106 20 0 BGADHN C[C@H]1CCC[C@H]1NCc1nc2ccccc2o1 ZINC000336598415 177143010 /nfs/dbraw/zinc/14/30/10/177143010.db2.gz HHKFRCNAAQHPLC-WDEREUQCSA-N 0 3 230.311 3.106 20 0 BGADHN CC(C)(C)n1cc(CN2CC[C@@H]3CCC[C@@H]32)cn1 ZINC000336598655 387422115 /nfs/dbraw/zinc/42/21/15/387422115.db2.gz YMLLNFVAZCRFLB-KBPBESRZSA-N 0 3 247.386 3.013 20 0 BGADHN CC(C)(C)n1cc(CN2CC[C@H]3CCC[C@@H]32)cn1 ZINC000336598661 188057918 /nfs/dbraw/zinc/05/79/18/188057918.db2.gz YMLLNFVAZCRFLB-KGLIPLIRSA-N 0 3 247.386 3.013 20 0 BGADHN CC(C)(C)n1cc(CN2CC[C@@H]3CCC[C@H]32)cn1 ZINC000336598662 187369177 /nfs/dbraw/zinc/36/91/77/187369177.db2.gz YMLLNFVAZCRFLB-UONOGXRCSA-N 0 3 247.386 3.013 20 0 BGADHN CC(C)(C)n1cc(CN2CC[C@H]3CCC[C@H]32)cn1 ZINC000336598663 188231359 /nfs/dbraw/zinc/23/13/59/188231359.db2.gz YMLLNFVAZCRFLB-ZIAGYGMSSA-N 0 3 247.386 3.013 20 0 BGADHN Cc1n[nH]c(C)c1CN1CC2(CCC2)[C@@H]1C(C)C ZINC000336599520 387424468 /nfs/dbraw/zinc/42/44/68/387424468.db2.gz GCFLVTOSWCPROM-AWEZNQCLSA-N 0 3 247.386 3.037 20 0 BGADHN Cc1n[nH]c(C)c1CN1CC2(CCC2)[C@H]1C(C)C ZINC000336599526 387423620 /nfs/dbraw/zinc/42/36/20/387423620.db2.gz GCFLVTOSWCPROM-CQSZACIVSA-N 0 3 247.386 3.037 20 0 BGADHN CC1=C[C@H](C)CN([C@@H](C)c2cccnc2)C1 ZINC000336600250 168127394 /nfs/dbraw/zinc/12/73/94/168127394.db2.gz LIHYKNNNMAMUMF-AAEUAGOBSA-N 0 3 216.328 3.041 20 0 BGADHN CC1=C[C@@H](C)CN([C@H](C)c2cccnc2)C1 ZINC000336600251 168123467 /nfs/dbraw/zinc/12/34/67/168123467.db2.gz LIHYKNNNMAMUMF-DGCLKSJQSA-N 0 3 216.328 3.041 20 0 BGADHN CC1=C[C@H](C)CN([C@H](C)c2cccnc2)C1 ZINC000336600252 168127233 /nfs/dbraw/zinc/12/72/33/168127233.db2.gz LIHYKNNNMAMUMF-WCQYABFASA-N 0 3 216.328 3.041 20 0 BGADHN CC1=C[C@@H](C)CN([C@@H](C)c2cccnc2)C1 ZINC000336600253 168123205 /nfs/dbraw/zinc/12/32/05/168123205.db2.gz LIHYKNNNMAMUMF-YPMHNXCESA-N 0 3 216.328 3.041 20 0 BGADHN CC[C@@]1(C)C[C@H]1C(=O)N1Cc2ccc(C)cc2C1 ZINC000336610777 171207122 /nfs/dbraw/zinc/20/71/22/171207122.db2.gz CNANKGSKMFHFLZ-HOCLYGCPSA-N 0 3 243.350 3.273 20 0 BGADHN Cc1nc(CN2CC[C@@H]3CCC[C@@H]32)c(C)s1 ZINC000336611803 384235674 /nfs/dbraw/zinc/23/56/74/384235674.db2.gz ADADOUGIPFHTAI-AAEUAGOBSA-N 0 3 236.384 3.134 20 0 BGADHN Cc1nc(CN2CC[C@H]3CCC[C@H]32)c(C)s1 ZINC000336611805 384235876 /nfs/dbraw/zinc/23/58/76/384235876.db2.gz ADADOUGIPFHTAI-DGCLKSJQSA-N 0 3 236.384 3.134 20 0 BGADHN Cc1nc(CN2CC[C@@H]3CCC[C@H]32)c(C)s1 ZINC000336611806 384237247 /nfs/dbraw/zinc/23/72/47/384237247.db2.gz ADADOUGIPFHTAI-WCQYABFASA-N 0 3 236.384 3.134 20 0 BGADHN Cc1nc(CN2CC[C@H]3CCC[C@@H]32)c(C)s1 ZINC000336611807 384236227 /nfs/dbraw/zinc/23/62/27/384236227.db2.gz ADADOUGIPFHTAI-YPMHNXCESA-N 0 3 236.384 3.134 20 0 BGADHN CSC1(CN2CC3(CCC3(F)F)C2)CCC1 ZINC000336617842 384239158 /nfs/dbraw/zinc/23/91/58/384239158.db2.gz SDRRBZJOBJRDTN-UHFFFAOYSA-N 0 3 247.354 3.003 20 0 BGADHN CC(C)(C)CCN1CC2(CCC2(F)F)C1 ZINC000336617864 386561374 /nfs/dbraw/zinc/56/13/74/386561374.db2.gz ZYDRHFHGCNDXFK-UHFFFAOYSA-N 0 3 217.303 3.154 20 0 BGADHN Cc1ccc(C(C)(C)N[C@H]2C=CCCC2)cn1 ZINC000336621411 387476317 /nfs/dbraw/zinc/47/63/17/387476317.db2.gz VCZJVUBFFFFVGM-AWEZNQCLSA-N 0 3 230.355 3.323 20 0 BGADHN Cc1ccc(C(C)(C)N[C@@H]2C=CCCC2)cn1 ZINC000336621412 387475895 /nfs/dbraw/zinc/47/58/95/387475895.db2.gz VCZJVUBFFFFVGM-CQSZACIVSA-N 0 3 230.355 3.323 20 0 BGADHN C[C@@H]1CCCN1Cc1scnc1C1CC1 ZINC000336621591 537817644 /nfs/dbraw/zinc/81/76/44/537817644.db2.gz ZSJQXZMLVPBKPO-SECBINFHSA-N 0 3 222.357 3.005 20 0 BGADHN C[C@H]1CCCN1Cc1scnc1C1CC1 ZINC000336621592 537816890 /nfs/dbraw/zinc/81/68/90/537816890.db2.gz ZSJQXZMLVPBKPO-VIFPVBQESA-N 0 3 222.357 3.005 20 0 BGADHN C[C@H]1C[C@H](C)N1Cc1cccc2cccnc21 ZINC000336622847 177360832 /nfs/dbraw/zinc/36/08/32/177360832.db2.gz ZPDSECCLXFLBDI-RYUDHWBXSA-N 0 3 226.323 3.218 20 0 BGADHN C[C@@H]1C[C@H](C)N1Cc1cccc2cccnc21 ZINC000336622848 177320033 /nfs/dbraw/zinc/32/00/33/177320033.db2.gz ZPDSECCLXFLBDI-TXEJJXNPSA-N 0 3 226.323 3.218 20 0 BGADHN C[C@@H]1C[C@@H](C)N1Cc1cccc2cccnc21 ZINC000336622849 176363850 /nfs/dbraw/zinc/36/38/50/176363850.db2.gz ZPDSECCLXFLBDI-VXGBXAGGSA-N 0 3 226.323 3.218 20 0 BGADHN CC[C@@H](C)NCc1ccsc1Cl ZINC000336634647 388458564 /nfs/dbraw/zinc/45/85/64/388458564.db2.gz HVBIXBMZGRYKJG-SSDOTTSWSA-N 0 3 203.738 3.290 20 0 BGADHN CC[C@H](C)NCc1ccsc1Cl ZINC000336634648 171343765 /nfs/dbraw/zinc/34/37/65/171343765.db2.gz HVBIXBMZGRYKJG-ZETCQYMHSA-N 0 3 203.738 3.290 20 0 BGADHN FCCCCNCc1sccc1Cl ZINC000336642503 386080272 /nfs/dbraw/zinc/08/02/72/386080272.db2.gz ATSIPKMSOHUATO-UHFFFAOYSA-N 0 3 221.728 3.241 20 0 BGADHN CC1(CNCc2sccc2Cl)CC1 ZINC000336642639 168044292 /nfs/dbraw/zinc/04/42/92/168044292.db2.gz BOVRXKVTJVEXMS-UHFFFAOYSA-N 0 3 215.749 3.291 20 0 BGADHN C[C@H]1CC[C@H]1NCc1csc(C(C)(C)C)n1 ZINC000336642958 177207039 /nfs/dbraw/zinc/20/70/39/177207039.db2.gz AHYSYDSQJWEHEA-GXSJLCMTSA-N 0 3 238.400 3.329 20 0 BGADHN C[C@@H]1CC[C@@H]1NCc1csc(C(C)(C)C)n1 ZINC000336642971 176216745 /nfs/dbraw/zinc/21/67/45/176216745.db2.gz AHYSYDSQJWEHEA-KOLCDFICSA-N 0 3 238.400 3.329 20 0 BGADHN C[C@@H]1CC[C@H]1NCc1csc(C(C)(C)C)n1 ZINC000336642972 176236727 /nfs/dbraw/zinc/23/67/27/176236727.db2.gz AHYSYDSQJWEHEA-MWLCHTKSSA-N 0 3 238.400 3.329 20 0 BGADHN C[C@H]1CC[C@@H]1NCc1csc(C(C)(C)C)n1 ZINC000336642973 177195865 /nfs/dbraw/zinc/19/58/65/177195865.db2.gz AHYSYDSQJWEHEA-ONGXEEELSA-N 0 3 238.400 3.329 20 0 BGADHN CSc1ccc(CN(C)C2CC2)s1 ZINC000336643285 188338555 /nfs/dbraw/zinc/33/85/55/188338555.db2.gz BJSLQYNTATUZSX-UHFFFAOYSA-N 0 3 213.371 3.064 20 0 BGADHN CSCCCN1CC[C@@H]1c1ccccc1 ZINC000336643314 386247819 /nfs/dbraw/zinc/24/78/19/386247819.db2.gz BZWNEVCJZACZPC-CYBMUJFWSA-N 0 3 221.369 3.187 20 0 BGADHN CSCCCN1CC[C@H]1c1ccccc1 ZINC000336643316 386248568 /nfs/dbraw/zinc/24/85/68/386248568.db2.gz BZWNEVCJZACZPC-ZDUSSCGKSA-N 0 3 221.369 3.187 20 0 BGADHN CCN(Cc1nc(C)sc1C)CC(C)C ZINC000336643644 350415083 /nfs/dbraw/zinc/41/50/83/350415083.db2.gz DCCARHRQBVLZCJ-UHFFFAOYSA-N 0 3 226.389 3.238 20 0 BGADHN CCC(C)(C)N(C)Cc1nc(C)sc1C ZINC000336644046 168289105 /nfs/dbraw/zinc/28/91/05/168289105.db2.gz FMBSYQBCVZGIJU-UHFFFAOYSA-N 0 3 226.389 3.380 20 0 BGADHN C[C@H]1C[C@H]1c1ccc(CNCCCCF)o1 ZINC000336644201 192069238 /nfs/dbraw/zinc/06/92/38/192069238.db2.gz CAQNQRPQUIFCAZ-CMPLNLGQSA-N 0 3 225.307 3.242 20 0 BGADHN C[C@H]1C[C@@H]1c1ccc(CNCCCCF)o1 ZINC000336644204 177351723 /nfs/dbraw/zinc/35/17/23/177351723.db2.gz CAQNQRPQUIFCAZ-JQWIXIFHSA-N 0 3 225.307 3.242 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CNCCCCF)o1 ZINC000336644206 386591596 /nfs/dbraw/zinc/59/15/96/386591596.db2.gz CAQNQRPQUIFCAZ-PWSUYJOCSA-N 0 3 225.307 3.242 20 0 BGADHN C[C@@H]1C[C@H]1c1ccc(CNCCCCF)o1 ZINC000336644207 386592092 /nfs/dbraw/zinc/59/20/92/386592092.db2.gz CAQNQRPQUIFCAZ-ZYHUDNBSSA-N 0 3 225.307 3.242 20 0 BGADHN CCSCCN1Cc2ccccc2[C@H]1C ZINC000336644227 386276775 /nfs/dbraw/zinc/27/67/75/386276775.db2.gz FTOUMOLRHDBWNA-LLVKDONJSA-N 0 3 221.369 3.316 20 0 BGADHN CCSCCN1Cc2ccccc2[C@@H]1C ZINC000336644228 386276980 /nfs/dbraw/zinc/27/69/80/386276980.db2.gz FTOUMOLRHDBWNA-NSHDSACASA-N 0 3 221.369 3.316 20 0 BGADHN CCc1cccc(Cl)c1CNC1CC1 ZINC000336644933 386602949 /nfs/dbraw/zinc/60/29/49/386602949.db2.gz AYOSBYGOWJECJW-UHFFFAOYSA-N 0 3 209.720 3.154 20 0 BGADHN Cc1cc(CNCCOC2CCCC2)cs1 ZINC000336645420 178020685 /nfs/dbraw/zinc/02/06/85/178020685.db2.gz DBLODQZRDKACDL-UHFFFAOYSA-N 0 3 239.384 3.105 20 0 BGADHN Cc1ncc(CN2CCC(C)(C)CC2)s1 ZINC000336645611 180141075 /nfs/dbraw/zinc/14/10/75/180141075.db2.gz IKFURBDPYCOBDU-UHFFFAOYSA-N 0 3 224.373 3.074 20 0 BGADHN FC(F)(F)c1ccc(CNC2CC2)s1 ZINC000336645919 386610037 /nfs/dbraw/zinc/61/00/37/386610037.db2.gz CFGZDXQJZQOXFZ-UHFFFAOYSA-N 0 3 221.247 3.019 20 0 BGADHN CCCN(Cc1c(C)noc1C)CC(C)C ZINC000336646067 169172296 /nfs/dbraw/zinc/17/22/96/169172296.db2.gz DPOMFBSFUYUHOM-UHFFFAOYSA-N 0 3 224.348 3.159 20 0 BGADHN CCSCCN1CCc2sccc2[C@@H]1C ZINC000336646325 386253592 /nfs/dbraw/zinc/25/35/92/386253592.db2.gz KGTAIBBQYMMYEU-JTQLQIEISA-N 0 3 241.425 3.420 20 0 BGADHN CCSCCN1CCc2sccc2[C@H]1C ZINC000336646326 386255217 /nfs/dbraw/zinc/25/52/17/386255217.db2.gz KGTAIBBQYMMYEU-SNVBAGLBSA-N 0 3 241.425 3.420 20 0 BGADHN CCC(C)(C)CCSCCN(C)C ZINC000336646943 168278305 /nfs/dbraw/zinc/27/83/05/168278305.db2.gz DBUIUSSEBHUFBU-UHFFFAOYSA-N 0 3 203.395 3.108 20 0 BGADHN CC[C@@H]1C[C@H](C)CN1Cc1nc(C)cs1 ZINC000336647309 171127162 /nfs/dbraw/zinc/12/71/62/171127162.db2.gz LZIVQHXWBHTVKC-GXSJLCMTSA-N 0 3 224.373 3.072 20 0 BGADHN CC[C@H]1C[C@@H](C)CN1Cc1nc(C)cs1 ZINC000336647312 386256415 /nfs/dbraw/zinc/25/64/15/386256415.db2.gz LZIVQHXWBHTVKC-KOLCDFICSA-N 0 3 224.373 3.072 20 0 BGADHN CC[C@@H]1C[C@@H](C)CN1Cc1nc(C)cs1 ZINC000336647316 171116891 /nfs/dbraw/zinc/11/68/91/171116891.db2.gz LZIVQHXWBHTVKC-MWLCHTKSSA-N 0 3 224.373 3.072 20 0 BGADHN CC[C@H]1C[C@H](C)CN1Cc1nc(C)cs1 ZINC000336647318 386258348 /nfs/dbraw/zinc/25/83/48/386258348.db2.gz LZIVQHXWBHTVKC-ONGXEEELSA-N 0 3 224.373 3.072 20 0 BGADHN CC[C@]1(C)CCN(Cc2cnc(C)s2)C1 ZINC000336647352 386258924 /nfs/dbraw/zinc/25/89/24/386258924.db2.gz MFHCZRLOBOHPNV-GFCCVEGCSA-N 0 3 224.373 3.074 20 0 BGADHN CC[C@@]1(C)CCN(Cc2cnc(C)s2)C1 ZINC000336647353 171202856 /nfs/dbraw/zinc/20/28/56/171202856.db2.gz MFHCZRLOBOHPNV-LBPRGKRZSA-N 0 3 224.373 3.074 20 0 BGADHN CC(C)CC[C@@H](C)NCc1ccc(F)cn1 ZINC000336647371 386670011 /nfs/dbraw/zinc/67/00/11/386670011.db2.gz BWFAJNZREMDNFX-LLVKDONJSA-N 0 3 224.323 3.135 20 0 BGADHN CC(C)CC[C@H](C)NCc1ccc(F)cn1 ZINC000336647372 350564384 /nfs/dbraw/zinc/56/43/84/350564384.db2.gz BWFAJNZREMDNFX-NSHDSACASA-N 0 3 224.323 3.135 20 0 BGADHN C[C@@H]1C[C@@H](NCc2cc(F)ccc2F)[C@@H]1C ZINC000336648347 176377784 /nfs/dbraw/zinc/37/77/84/176377784.db2.gz CMDJKQNTLZLLIN-JRKPZEMJSA-N 0 3 225.282 3.099 20 0 BGADHN C[C@@H]1C[C@H](NCc2cc(F)ccc2F)[C@@H]1C ZINC000336648353 386692897 /nfs/dbraw/zinc/69/28/97/386692897.db2.gz CMDJKQNTLZLLIN-KKFJDGPESA-N 0 3 225.282 3.099 20 0 BGADHN C[C@@H]1C[C@@H](NCc2cc(F)ccc2F)[C@H]1C ZINC000336648354 386692380 /nfs/dbraw/zinc/69/23/80/386692380.db2.gz CMDJKQNTLZLLIN-VYUIOLGVSA-N 0 3 225.282 3.099 20 0 BGADHN C[C@@H]1C[C@H](NCc2cc(F)ccc2F)[C@H]1C ZINC000336648355 386695500 /nfs/dbraw/zinc/69/55/00/386695500.db2.gz CMDJKQNTLZLLIN-ZDMBXUJBSA-N 0 3 225.282 3.099 20 0 BGADHN Cc1sccc1CNCc1cccc(F)c1 ZINC000336648733 386699526 /nfs/dbraw/zinc/69/95/26/386699526.db2.gz GLRBQLBDKVXPEO-UHFFFAOYSA-N 0 3 235.327 3.485 20 0 BGADHN CC[C@@H](C)CN1CC=C(C(F)(F)F)CC1 ZINC000336648837 386259540 /nfs/dbraw/zinc/25/95/40/386259540.db2.gz PSUBAVPXLHBMJG-SECBINFHSA-N 0 3 221.266 3.227 20 0 BGADHN CC[C@H](C)CN1CC=C(C(F)(F)F)CC1 ZINC000336648846 171279654 /nfs/dbraw/zinc/27/96/54/171279654.db2.gz PSUBAVPXLHBMJG-VIFPVBQESA-N 0 3 221.266 3.227 20 0 BGADHN CC(C)CC[C@H](C)N[C@@H](CO)c1ccsc1 ZINC000336649119 350571889 /nfs/dbraw/zinc/57/18/89/350571889.db2.gz DAAQSDZFVWNODI-AAEUAGOBSA-N 0 3 241.400 3.196 20 0 BGADHN CC(C)CC[C@@H](C)N[C@H](CO)c1ccsc1 ZINC000336649120 385593206 /nfs/dbraw/zinc/59/32/06/385593206.db2.gz DAAQSDZFVWNODI-DGCLKSJQSA-N 0 3 241.400 3.196 20 0 BGADHN CC(C)CC[C@H](C)N[C@H](CO)c1ccsc1 ZINC000336649121 350571959 /nfs/dbraw/zinc/57/19/59/350571959.db2.gz DAAQSDZFVWNODI-WCQYABFASA-N 0 3 241.400 3.196 20 0 BGADHN CC(C)CC[C@@H](C)N[C@@H](CO)c1ccsc1 ZINC000336649122 384591083 /nfs/dbraw/zinc/59/10/83/384591083.db2.gz DAAQSDZFVWNODI-YPMHNXCESA-N 0 3 241.400 3.196 20 0 BGADHN CSCCCN1Cc2ccccc2[C@H]1C ZINC000336649208 386261313 /nfs/dbraw/zinc/26/13/13/386261313.db2.gz QNFIQANQQUDERK-LLVKDONJSA-N 0 3 221.369 3.316 20 0 BGADHN CSCCCN1Cc2ccccc2[C@@H]1C ZINC000336649209 386260709 /nfs/dbraw/zinc/26/07/09/386260709.db2.gz QNFIQANQQUDERK-NSHDSACASA-N 0 3 221.369 3.316 20 0 BGADHN Cc1ccc(F)c(CNCCSC(C)C)c1 ZINC000336649235 188339565 /nfs/dbraw/zinc/33/95/65/188339565.db2.gz GUOMNXXNNKCYAW-UHFFFAOYSA-N 0 3 241.375 3.365 20 0 BGADHN CCCN(C)Cc1ccc(SC)s1 ZINC000336649723 169081110 /nfs/dbraw/zinc/08/11/10/169081110.db2.gz HMQLQSNZFSRQNO-UHFFFAOYSA-N 0 3 215.387 3.312 20 0 BGADHN Clc1sccc1CNC[C@H]1CCSC1 ZINC000336649729 385601348 /nfs/dbraw/zinc/60/13/48/385601348.db2.gz IAQQZCYKZBPSBI-MRVPVSSYSA-N 0 3 247.816 3.244 20 0 BGADHN Clc1sccc1CNC[C@@H]1CCSC1 ZINC000336649730 385600454 /nfs/dbraw/zinc/60/04/54/385600454.db2.gz IAQQZCYKZBPSBI-QMMMGPOBSA-N 0 3 247.816 3.244 20 0 BGADHN CCN(Cc1sc(C)nc1C)C1CCC1 ZINC000336649898 350417871 /nfs/dbraw/zinc/41/78/71/350417871.db2.gz RVZHHEBVZYGCCX-UHFFFAOYSA-N 0 3 224.373 3.134 20 0 BGADHN Cc1ncc(CN(C)[C@@H](C)CC(C)C)s1 ZINC000336649904 180141352 /nfs/dbraw/zinc/14/13/52/180141352.db2.gz RWOHTZXOUCMLDR-JTQLQIEISA-N 0 3 226.389 3.318 20 0 BGADHN Cc1ncc(CN(C)[C@H](C)CC(C)C)s1 ZINC000336649909 180139212 /nfs/dbraw/zinc/13/92/12/180139212.db2.gz RWOHTZXOUCMLDR-SNVBAGLBSA-N 0 3 226.389 3.318 20 0 BGADHN CC(C)[C@H](CC(F)(F)F)NCc1cc[nH]c1 ZINC000336649915 385597115 /nfs/dbraw/zinc/59/71/15/385597115.db2.gz DINDGHRIUJBCGD-JTQLQIEISA-N 0 3 234.265 3.081 20 0 BGADHN CC(C)[C@@H](CC(F)(F)F)NCc1cc[nH]c1 ZINC000336649934 167389804 /nfs/dbraw/zinc/38/98/04/167389804.db2.gz DINDGHRIUJBCGD-SNVBAGLBSA-N 0 3 234.265 3.081 20 0 BGADHN CCC(CC)CN(C)Cc1ccc(C)o1 ZINC000336649946 168346668 /nfs/dbraw/zinc/34/66/68/168346668.db2.gz RZBDUFLVCBBKSE-UHFFFAOYSA-N 0 3 209.333 3.456 20 0 BGADHN FCCCCNCc1ccccc1Cl ZINC000336650235 385609773 /nfs/dbraw/zinc/60/97/73/385609773.db2.gz AKZXPPFJGJGBQR-UHFFFAOYSA-N 0 3 215.699 3.179 20 0 BGADHN CCCN(CCC)Cc1nc(C)sc1C ZINC000336651148 169150343 /nfs/dbraw/zinc/15/03/43/169150343.db2.gz ULCNHZOXWTWNBE-UHFFFAOYSA-N 0 3 226.389 3.382 20 0 BGADHN Cc1cc([C@H](C)N[C@@H](C)CCC(C)C)no1 ZINC000336651370 178251488 /nfs/dbraw/zinc/25/14/88/178251488.db2.gz FDXOLDWQYLWZIK-JQWIXIFHSA-N 0 3 224.348 3.458 20 0 BGADHN Cc1cc([C@H](C)N[C@H](C)CCC(C)C)no1 ZINC000336651375 178256605 /nfs/dbraw/zinc/25/66/05/178256605.db2.gz FDXOLDWQYLWZIK-PWSUYJOCSA-N 0 3 224.348 3.458 20 0 BGADHN CC(C)(C)c1cnc(CNCCC2CC2)s1 ZINC000336651381 537821010 /nfs/dbraw/zinc/82/10/10/537821010.db2.gz FEKIXAHOLQNMIE-UHFFFAOYSA-N 0 3 238.400 3.330 20 0 BGADHN CCC[N@H+](Cc1cccc([O-])c1)CC(C)C ZINC000336651670 169177832 /nfs/dbraw/zinc/17/78/32/169177832.db2.gz HYYWSXPMHNDSOS-UHFFFAOYSA-N 0 3 221.344 3.260 20 0 BGADHN CCC[N@@H+](Cc1cccc([O-])c1)CC(C)C ZINC000336651670 169177830 /nfs/dbraw/zinc/17/78/30/169177830.db2.gz HYYWSXPMHNDSOS-UHFFFAOYSA-N 0 3 221.344 3.260 20 0 BGADHN CCC(C)(C)N(C)Cc1nc(C)c(C)s1 ZINC000336651749 168287896 /nfs/dbraw/zinc/28/78/96/168287896.db2.gz VUWILBSVZKPYLF-UHFFFAOYSA-N 0 3 226.389 3.380 20 0 BGADHN Clc1sccc1CNC[C@H]1CCCS1 ZINC000336651818 385633948 /nfs/dbraw/zinc/63/39/48/385633948.db2.gz KDJIIFXDAAWZNA-SECBINFHSA-N 0 3 247.816 3.387 20 0 BGADHN Clc1sccc1CNC[C@@H]1CCCS1 ZINC000336651827 385633899 /nfs/dbraw/zinc/63/38/99/385633899.db2.gz KDJIIFXDAAWZNA-VIFPVBQESA-N 0 3 247.816 3.387 20 0 BGADHN C[C@@H](NCc1ccsc1Cl)C1CC1 ZINC000336652319 385649863 /nfs/dbraw/zinc/64/98/63/385649863.db2.gz KVPBOIPFNAKAAQ-SSDOTTSWSA-N 0 3 215.749 3.290 20 0 BGADHN C[C@H](NCc1ccsc1Cl)C1CC1 ZINC000336652340 385651427 /nfs/dbraw/zinc/65/14/27/385651427.db2.gz KVPBOIPFNAKAAQ-ZETCQYMHSA-N 0 3 215.749 3.290 20 0 BGADHN CCOCC(C)(C)CNCc1ccc(Cl)o1 ZINC000336652712 170350949 /nfs/dbraw/zinc/35/09/49/170350949.db2.gz IVLAUMSOUNEWJS-UHFFFAOYSA-N 0 3 245.750 3.085 20 0 BGADHN C[C@@H]1C[C@H]1CNCc1ccsc1Cl ZINC000336652836 490686058 /nfs/dbraw/zinc/68/60/58/490686058.db2.gz LFHKRAKUUUHHAL-APPZFPTMSA-N 0 3 215.749 3.147 20 0 BGADHN C[C@H]1C[C@H]1CNCc1ccsc1Cl ZINC000336652837 177382160 /nfs/dbraw/zinc/38/21/60/177382160.db2.gz LFHKRAKUUUHHAL-CBAPKCEASA-N 0 3 215.749 3.147 20 0 BGADHN C[C@H]1C[C@@H]1CNCc1ccsc1Cl ZINC000336652838 177345871 /nfs/dbraw/zinc/34/58/71/177345871.db2.gz LFHKRAKUUUHHAL-IONNQARKSA-N 0 3 215.749 3.147 20 0 BGADHN C[C@@H]1C[C@@H]1CNCc1ccsc1Cl ZINC000336652839 176396925 /nfs/dbraw/zinc/39/69/25/176396925.db2.gz LFHKRAKUUUHHAL-VXNVDRBHSA-N 0 3 215.749 3.147 20 0 BGADHN COCC(C)(C)CNCc1ccccc1Cl ZINC000336653342 174072543 /nfs/dbraw/zinc/07/25/43/174072543.db2.gz JJHWARGBNVLWFK-UHFFFAOYSA-N 0 3 241.762 3.102 20 0 BGADHN c1nc(C2CCCC2)sc1CNC1CCC1 ZINC000336653738 385712603 /nfs/dbraw/zinc/71/26/03/385712603.db2.gz GIEQQTDIFFIUEV-UHFFFAOYSA-N 0 3 236.384 3.443 20 0 BGADHN C[C@H](N[C@@H]1CC[C@@H]1C)c1cc(F)ccc1F ZINC000336654108 385721222 /nfs/dbraw/zinc/72/12/22/385721222.db2.gz JYYLJBIRHGRBKN-MWODSPESSA-N 0 3 225.282 3.414 20 0 BGADHN C[C@H](N[C@H]1CC[C@@H]1C)c1cc(F)ccc1F ZINC000336654109 385721876 /nfs/dbraw/zinc/72/18/76/385721876.db2.gz JYYLJBIRHGRBKN-RVBZMBCESA-N 0 3 225.282 3.414 20 0 BGADHN C[C@H](N[C@@H]1CC[C@H]1C)c1cc(F)ccc1F ZINC000336654110 385722308 /nfs/dbraw/zinc/72/23/08/385722308.db2.gz JYYLJBIRHGRBKN-VYUIOLGVSA-N 0 3 225.282 3.414 20 0 BGADHN C[C@H](N[C@H]1CC[C@H]1C)c1cc(F)ccc1F ZINC000336654111 385721369 /nfs/dbraw/zinc/72/13/69/385721369.db2.gz JYYLJBIRHGRBKN-ZDMBXUJBSA-N 0 3 225.282 3.414 20 0 BGADHN CCSCCN1CC[C@@H]1c1ccccc1 ZINC000336654117 386271333 /nfs/dbraw/zinc/27/13/33/386271333.db2.gz ZJDZJGGNYGJKGE-CYBMUJFWSA-N 0 3 221.369 3.187 20 0 BGADHN CCSCCN1CC[C@H]1c1ccccc1 ZINC000336654118 386271572 /nfs/dbraw/zinc/27/15/72/386271572.db2.gz ZJDZJGGNYGJKGE-ZDUSSCGKSA-N 0 3 221.369 3.187 20 0 BGADHN CCC(CC)CN(C)Cc1ccoc1C ZINC000336654121 168347613 /nfs/dbraw/zinc/34/76/13/168347613.db2.gz ZJJVLPBQTOGSGZ-UHFFFAOYSA-N 0 3 209.333 3.456 20 0 BGADHN CC[C@H](CNCc1ccc(C)c(Cl)c1)OC ZINC000336654306 385723259 /nfs/dbraw/zinc/72/32/59/385723259.db2.gz GQEGONBSCZBNTF-GFCCVEGCSA-N 0 3 241.762 3.163 20 0 BGADHN CC[C@@H](CNCc1ccc(C)c(Cl)c1)OC ZINC000336654315 385724144 /nfs/dbraw/zinc/72/41/44/385724144.db2.gz GQEGONBSCZBNTF-LBPRGKRZSA-N 0 3 241.762 3.163 20 0 BGADHN CC(C)[C@@H](NC1CC1)c1cc(F)ccc1F ZINC000336654552 388458496 /nfs/dbraw/zinc/45/84/96/388458496.db2.gz GUEWZJPZBBBUOJ-CYBMUJFWSA-N 0 3 225.282 3.414 20 0 BGADHN CC(C)[C@H](NC1CC1)c1cc(F)ccc1F ZINC000336654553 388458437 /nfs/dbraw/zinc/45/84/37/388458437.db2.gz GUEWZJPZBBBUOJ-ZDUSSCGKSA-N 0 3 225.282 3.414 20 0 BGADHN CCOC1(CNCc2ccc(C)o2)CCCC1 ZINC000336654612 170318739 /nfs/dbraw/zinc/31/87/39/170318739.db2.gz HSODGAYZYDGSER-UHFFFAOYSA-N 0 3 237.343 3.027 20 0 BGADHN Cc1cscc1CNCc1cccnc1C ZINC000336654675 388458768 /nfs/dbraw/zinc/45/87/68/388458768.db2.gz KBEZCMBYUFVBOY-UHFFFAOYSA-N 0 3 232.352 3.050 20 0 BGADHN CCCCN(C)Cc1ccc(Cl)o1 ZINC000336655045 385745120 /nfs/dbraw/zinc/74/51/20/385745120.db2.gz OGBYZEFUVGIRCO-UHFFFAOYSA-N 0 3 201.697 3.165 20 0 BGADHN C[C@H](CN1CCC(=O)[C@H](C)C1)C1CCCCC1 ZINC000336655179 385749433 /nfs/dbraw/zinc/74/94/33/385749433.db2.gz IQUZUYSSKMAOQS-CHWSQXEVSA-N 0 3 237.387 3.114 20 0 BGADHN C[C@H](CN1CCC(=O)[C@@H](C)C1)C1CCCCC1 ZINC000336655183 177256431 /nfs/dbraw/zinc/25/64/31/177256431.db2.gz IQUZUYSSKMAOQS-OLZOCXBDSA-N 0 3 237.387 3.114 20 0 BGADHN C[C@@H](CN1CCC(=O)[C@H](C)C1)C1CCCCC1 ZINC000336655184 176299238 /nfs/dbraw/zinc/29/92/38/176299238.db2.gz IQUZUYSSKMAOQS-QWHCGFSZSA-N 0 3 237.387 3.114 20 0 BGADHN C[C@@H](CN1CCC(=O)[C@@H](C)C1)C1CCCCC1 ZINC000336655185 177257887 /nfs/dbraw/zinc/25/78/87/177257887.db2.gz IQUZUYSSKMAOQS-STQMWFEESA-N 0 3 237.387 3.114 20 0 BGADHN Cc1cc(CNCCSC(C)C)ccc1F ZINC000336655802 178022621 /nfs/dbraw/zinc/02/26/21/178022621.db2.gz LEEHJGFYTHWNRY-UHFFFAOYSA-N 0 3 241.375 3.365 20 0 BGADHN FC(F)C1CCC(NCc2cscn2)CC1 ZINC000336656013 385775703 /nfs/dbraw/zinc/77/57/03/385775703.db2.gz AHBOOZRJLFBVFK-UHFFFAOYSA-N 0 3 246.326 3.057 20 0 BGADHN FCCN[C@H](c1ccccc1)C1CCC1 ZINC000336656930 385820373 /nfs/dbraw/zinc/82/03/73/385820373.db2.gz APIKFXZBFCHCKV-CYBMUJFWSA-N 0 3 207.292 3.087 20 0 BGADHN FCCN[C@@H](c1ccccc1)C1CCC1 ZINC000336656945 385816666 /nfs/dbraw/zinc/81/66/66/385816666.db2.gz APIKFXZBFCHCKV-ZDUSSCGKSA-N 0 3 207.292 3.087 20 0 BGADHN Clc1ccsc1CNC[C@H]1CCCCO1 ZINC000336656986 385815950 /nfs/dbraw/zinc/81/59/50/385815950.db2.gz APAOOOZKDNOFBN-SECBINFHSA-N 0 3 245.775 3.060 20 0 BGADHN Clc1ccsc1CNC[C@@H]1CCCCO1 ZINC000336657017 180597976 /nfs/dbraw/zinc/59/79/76/180597976.db2.gz APAOOOZKDNOFBN-VIFPVBQESA-N 0 3 245.775 3.060 20 0 BGADHN CCC1(CC)CN(Cc2sc(C)nc2C)C1 ZINC000336658758 386277140 /nfs/dbraw/zinc/27/71/40/386277140.db2.gz SPRMLIOFDQQEJT-UHFFFAOYSA-N 0 3 238.400 3.382 20 0 BGADHN CSCCNC1(c2ccc(Cl)cc2)CC1 ZINC000336660253 388089680 /nfs/dbraw/zinc/08/96/80/388089680.db2.gz BUCZIICJANUBBY-UHFFFAOYSA-N 0 3 241.787 3.282 20 0 BGADHN Cc1cc(F)ccc1CNCCSC(C)C ZINC000336660648 178087608 /nfs/dbraw/zinc/08/76/08/178087608.db2.gz NTTZHMWECMZGDS-UHFFFAOYSA-N 0 3 241.375 3.365 20 0 BGADHN CCC(C)(C)N(C)Cc1ccn(C(C)C)n1 ZINC000336660758 168285835 /nfs/dbraw/zinc/28/58/35/168285835.db2.gz BKEQBECRFUAXHL-UHFFFAOYSA-N 0 3 223.364 3.084 20 0 BGADHN C[C@@H](NCC(C)(C)C(C)(C)C)c1cnccn1 ZINC000336661270 175864314 /nfs/dbraw/zinc/86/43/14/175864314.db2.gz SJAXGGNGKVQPLH-LLVKDONJSA-N 0 3 235.375 3.200 20 0 BGADHN C[C@H](NCC(C)(C)C(C)(C)C)c1cnccn1 ZINC000336661292 388101259 /nfs/dbraw/zinc/10/12/59/388101259.db2.gz SJAXGGNGKVQPLH-NSHDSACASA-N 0 3 235.375 3.200 20 0 BGADHN CC(C)OCCN1CC=C(C(C)(C)C)CC1 ZINC000336661390 167232941 /nfs/dbraw/zinc/23/29/41/167232941.db2.gz HJFAXRFHVNSPAN-UHFFFAOYSA-N 0 3 225.376 3.090 20 0 BGADHN CSCCCNCc1ccsc1Cl ZINC000336661966 388260109 /nfs/dbraw/zinc/26/01/09/388260109.db2.gz VSAOONDVYHETSM-UHFFFAOYSA-N 0 3 235.805 3.244 20 0 BGADHN CSC[C@@H](C)NCc1ccsc1Cl ZINC000336662197 388259105 /nfs/dbraw/zinc/25/91/05/388259105.db2.gz WBTJSYPEZCRCFK-SSDOTTSWSA-N 0 3 235.805 3.243 20 0 BGADHN CSC[C@H](C)NCc1ccsc1Cl ZINC000336662204 388259154 /nfs/dbraw/zinc/25/91/54/388259154.db2.gz WBTJSYPEZCRCFK-ZETCQYMHSA-N 0 3 235.805 3.243 20 0 BGADHN Cc1nc(CN2C[C@H](C)C[C@@H](C)[C@H]2C)cs1 ZINC000336662356 386281804 /nfs/dbraw/zinc/28/18/04/386281804.db2.gz LZPAMJDDZRPOSG-GMTAPVOTSA-N 0 3 238.400 3.318 20 0 BGADHN Cc1nc(CN2C[C@H](C)C[C@@H](C)[C@@H]2C)cs1 ZINC000336662357 386282946 /nfs/dbraw/zinc/28/29/46/386282946.db2.gz LZPAMJDDZRPOSG-MXWKQRLJSA-N 0 3 238.400 3.318 20 0 BGADHN Cc1nc(CN2C[C@H](C)C[C@H](C)[C@H]2C)cs1 ZINC000336662358 179961936 /nfs/dbraw/zinc/96/19/36/179961936.db2.gz LZPAMJDDZRPOSG-OUAUKWLOSA-N 0 3 238.400 3.318 20 0 BGADHN Cc1nc(CN2C[C@H](C)C[C@H](C)[C@@H]2C)cs1 ZINC000336662359 386282210 /nfs/dbraw/zinc/28/22/10/386282210.db2.gz LZPAMJDDZRPOSG-VWYCJHECSA-N 0 3 238.400 3.318 20 0 BGADHN CCN(CC)CCSCC(=O)C(C)(C)CC ZINC000336662464 169783002 /nfs/dbraw/zinc/78/30/02/169783002.db2.gz OJUMBYQNICZGNZ-UHFFFAOYSA-N 0 3 245.432 3.067 20 0 BGADHN CC(C)=CCN[C@H](c1cccnc1)C1CC1 ZINC000336662596 388259770 /nfs/dbraw/zinc/25/97/70/388259770.db2.gz KMOSPAICCYQXJZ-AWEZNQCLSA-N 0 3 216.328 3.089 20 0 BGADHN CC(C)=CCN[C@@H](c1cccnc1)C1CC1 ZINC000336662622 388260429 /nfs/dbraw/zinc/26/04/29/388260429.db2.gz KMOSPAICCYQXJZ-CQSZACIVSA-N 0 3 216.328 3.089 20 0 BGADHN COc1cccc(Cl)c1CNCCCCF ZINC000336662710 175273244 /nfs/dbraw/zinc/27/32/44/175273244.db2.gz OUAPLZKNAHJSBZ-UHFFFAOYSA-N 0 3 245.725 3.188 20 0 BGADHN Cc1ccc(CNC(C)(C)CF)c(C)c1 ZINC000336662898 388261631 /nfs/dbraw/zinc/26/16/31/388261631.db2.gz CJVZMWLHKGNCNA-UHFFFAOYSA-N 0 3 209.308 3.141 20 0 BGADHN C[C@H](CNCc1ccsc1)C(F)(F)F ZINC000336663086 388262062 /nfs/dbraw/zinc/26/20/62/388262062.db2.gz UBFVSBHOPNHPKB-SSDOTTSWSA-N 0 3 223.263 3.036 20 0 BGADHN C[C@@H](CNCc1ccsc1)C(F)(F)F ZINC000336663090 388262176 /nfs/dbraw/zinc/26/21/76/388262176.db2.gz UBFVSBHOPNHPKB-ZETCQYMHSA-N 0 3 223.263 3.036 20 0 BGADHN F[C@@H]1CC[C@@H](NCc2ccccc2Cl)C1 ZINC000336663178 388460133 /nfs/dbraw/zinc/46/01/33/388460133.db2.gz CLYTVMSUYFZARW-GHMZBOCLSA-N 0 3 227.710 3.320 20 0 BGADHN F[C@@H]1CC[C@H](NCc2ccccc2Cl)C1 ZINC000336663212 388460754 /nfs/dbraw/zinc/46/07/54/388460754.db2.gz CLYTVMSUYFZARW-MNOVXSKESA-N 0 3 227.710 3.320 20 0 BGADHN F[C@H]1CC[C@H](NCc2ccccc2Cl)C1 ZINC000336663213 398006162 /nfs/dbraw/zinc/00/61/62/398006162.db2.gz CLYTVMSUYFZARW-QWRGUYRKSA-N 0 3 227.710 3.320 20 0 BGADHN F[C@H]1CC[C@@H](NCc2ccccc2Cl)C1 ZINC000336663214 398006124 /nfs/dbraw/zinc/00/61/24/398006124.db2.gz CLYTVMSUYFZARW-WDEREUQCSA-N 0 3 227.710 3.320 20 0 BGADHN CCN(Cc1nc(C)sc1C)CC1CCC1 ZINC000336663427 350425086 /nfs/dbraw/zinc/42/50/86/350425086.db2.gz QSTBMPYKEURZQP-UHFFFAOYSA-N 0 3 238.400 3.382 20 0 BGADHN FC(F)(F)C1(CNCc2ccco2)CCC1 ZINC000336663505 388262484 /nfs/dbraw/zinc/26/24/84/388262484.db2.gz DBKCKZZMOJYWMN-UHFFFAOYSA-N 0 3 233.233 3.102 20 0 BGADHN Cc1csc(CN2C[C@H](C)C[C@@H](C)[C@H]2C)n1 ZINC000336663509 386285618 /nfs/dbraw/zinc/28/56/18/386285618.db2.gz SRGKTICHWKZDHG-CKYFFXLPSA-N 0 3 238.400 3.318 20 0 BGADHN Cc1csc(CN2C[C@H](C)C[C@@H](C)[C@@H]2C)n1 ZINC000336663510 386284322 /nfs/dbraw/zinc/28/43/22/386284322.db2.gz SRGKTICHWKZDHG-FOGDFJRCSA-N 0 3 238.400 3.318 20 0 BGADHN Cc1csc(CN2C[C@H](C)C[C@H](C)[C@H]2C)n1 ZINC000336663512 386285937 /nfs/dbraw/zinc/28/59/37/386285937.db2.gz SRGKTICHWKZDHG-JFGNBEQYSA-N 0 3 238.400 3.318 20 0 BGADHN Cc1csc(CN2C[C@H](C)C[C@H](C)[C@@H]2C)n1 ZINC000336663514 386285109 /nfs/dbraw/zinc/28/51/09/386285109.db2.gz SRGKTICHWKZDHG-SCVCMEIPSA-N 0 3 238.400 3.318 20 0 BGADHN CCN(Cc1nc(C)c(C)s1)CC1CCC1 ZINC000336663543 350425015 /nfs/dbraw/zinc/42/50/15/350425015.db2.gz VDMGRBOZRGLMTJ-UHFFFAOYSA-N 0 3 238.400 3.382 20 0 BGADHN CSc1ccc(CN[C@@H]2CC2(C)C)s1 ZINC000336664559 386761033 /nfs/dbraw/zinc/76/10/33/386761033.db2.gz UUAMYKDCIXEDHO-SECBINFHSA-N 0 3 227.398 3.358 20 0 BGADHN CSc1ccc(CN[C@H]2CC2(C)C)s1 ZINC000336664560 386760395 /nfs/dbraw/zinc/76/03/95/386760395.db2.gz UUAMYKDCIXEDHO-VIFPVBQESA-N 0 3 227.398 3.358 20 0 BGADHN CSc1ccc(CNC2CC(F)(F)C2)cc1 ZINC000336664596 386761041 /nfs/dbraw/zinc/76/10/41/386761041.db2.gz DXKRJTDLVMAEAZ-UHFFFAOYSA-N 0 3 243.322 3.296 20 0 BGADHN COC(C)(C)CCN(C)[C@H](C)c1ccco1 ZINC000336664843 386286535 /nfs/dbraw/zinc/28/65/35/386286535.db2.gz HRJCFNYIXADUIJ-LLVKDONJSA-N 0 3 225.332 3.088 20 0 BGADHN COC(C)(C)CCN(C)[C@@H](C)c1ccco1 ZINC000336664844 386286495 /nfs/dbraw/zinc/28/64/95/386286495.db2.gz HRJCFNYIXADUIJ-NSHDSACASA-N 0 3 225.332 3.088 20 0 BGADHN Cc1cc([C@@H](C)NCC2(C(C)C)CC2)no1 ZINC000336665045 178221689 /nfs/dbraw/zinc/22/16/89/178221689.db2.gz LIVCZVFURPMYMC-LLVKDONJSA-N 0 3 222.332 3.070 20 0 BGADHN Cc1cc([C@H](C)NCC2(C(C)C)CC2)no1 ZINC000336665053 178245078 /nfs/dbraw/zinc/24/50/78/178245078.db2.gz LIVCZVFURPMYMC-NSHDSACASA-N 0 3 222.332 3.070 20 0 BGADHN Cc1nc(CNC(C)(C)C(C)(C)C)cs1 ZINC000336665321 386769136 /nfs/dbraw/zinc/76/91/36/386769136.db2.gz DFUIOGJLTHNMKR-UHFFFAOYSA-N 0 3 226.389 3.366 20 0 BGADHN C[C@H](N[C@H]1CC[C@@H]1C)c1cccc(F)c1F ZINC000336665394 386767589 /nfs/dbraw/zinc/76/75/89/386767589.db2.gz PNFSVHLWBLCLBW-AUTRQRHGSA-N 0 3 225.282 3.414 20 0 BGADHN C[C@H](N[C@@H]1CC[C@@H]1C)c1cccc(F)c1F ZINC000336665395 384757685 /nfs/dbraw/zinc/75/76/85/384757685.db2.gz PNFSVHLWBLCLBW-HOTUBEGUSA-N 0 3 225.282 3.414 20 0 BGADHN C[C@H](N[C@H]1CC[C@H]1C)c1cccc(F)c1F ZINC000336665396 386769200 /nfs/dbraw/zinc/76/92/00/386769200.db2.gz PNFSVHLWBLCLBW-PTRXPTGYSA-N 0 3 225.282 3.414 20 0 BGADHN C[C@H](N[C@@H]1CC[C@H]1C)c1cccc(F)c1F ZINC000336665397 386768907 /nfs/dbraw/zinc/76/89/07/386768907.db2.gz PNFSVHLWBLCLBW-VDDIYKPWSA-N 0 3 225.282 3.414 20 0 BGADHN Cc1ncc(CN2CCCCC[C@@H]2C)s1 ZINC000336665878 180142843 /nfs/dbraw/zinc/14/28/43/180142843.db2.gz STHMEGYAGKSCRP-JTQLQIEISA-N 0 3 224.373 3.216 20 0 BGADHN Cc1ncc(CN2CCCCC[C@H]2C)s1 ZINC000336665899 180144105 /nfs/dbraw/zinc/14/41/05/180144105.db2.gz STHMEGYAGKSCRP-SNVBAGLBSA-N 0 3 224.373 3.216 20 0 BGADHN Cc1csc(C2(NCCC(C)C)CCC2)n1 ZINC000336666273 386777236 /nfs/dbraw/zinc/77/72/36/386777236.db2.gz LTFFKNXAFDBAES-UHFFFAOYSA-N 0 3 238.400 3.466 20 0 BGADHN CC(C)SCCN1CCc2ccccc2C1 ZINC000336666710 167328018 /nfs/dbraw/zinc/32/80/18/167328018.db2.gz LUOKJHKGTLEHDB-UHFFFAOYSA-N 0 3 235.396 3.186 20 0 BGADHN Cc1sccc1CNCc1ccc(F)cc1 ZINC000336666739 386774593 /nfs/dbraw/zinc/77/45/93/386774593.db2.gz QDYTUIMNFSXZQP-UHFFFAOYSA-N 0 3 235.327 3.485 20 0 BGADHN Cc1ccsc1CN(C)CCOCC(C)C ZINC000336666752 386292594 /nfs/dbraw/zinc/29/25/94/386292594.db2.gz KXPQPQNFLJDBRL-UHFFFAOYSA-N 0 3 241.400 3.161 20 0 BGADHN Cc1ccc(CN(C)CCOCC(C)C)s1 ZINC000336666947 386293025 /nfs/dbraw/zinc/29/30/25/386293025.db2.gz MDEUOMUFGCSGCI-UHFFFAOYSA-N 0 3 241.400 3.161 20 0 BGADHN CSc1ccc(CN[C@@H]2CCSC2)s1 ZINC000336667215 175576144 /nfs/dbraw/zinc/57/61/44/175576144.db2.gz WBVVYHZVBLCDNP-MRVPVSSYSA-N 0 3 245.438 3.065 20 0 BGADHN CSc1ccc(CN[C@H]2CCSC2)s1 ZINC000336667253 386783058 /nfs/dbraw/zinc/78/30/58/386783058.db2.gz WBVVYHZVBLCDNP-QMMMGPOBSA-N 0 3 245.438 3.065 20 0 BGADHN Cc1sccc1CNCCOC1CCCC1 ZINC000336667832 384777780 /nfs/dbraw/zinc/77/77/80/384777780.db2.gz QMAPZXSEHWSYPZ-UHFFFAOYSA-N 0 3 239.384 3.105 20 0 BGADHN CCN(CC)Cc1cc(Cl)cc2c1OCC2 ZINC000336667858 384777869 /nfs/dbraw/zinc/77/78/69/384777869.db2.gz QMUANQGVVHLQCT-UHFFFAOYSA-N 0 3 239.746 3.117 20 0 BGADHN CCCN(Cc1c(C)onc1CC)CC(C)C ZINC000336668104 169174111 /nfs/dbraw/zinc/17/41/11/169174111.db2.gz AEVLSMYWWMKFHU-UHFFFAOYSA-N 0 3 238.375 3.413 20 0 BGADHN Cc1ccc(CNCCSC(C)C)cc1F ZINC000336668160 384780089 /nfs/dbraw/zinc/78/00/89/384780089.db2.gz QWEWZYVOGDLBQG-UHFFFAOYSA-N 0 3 241.375 3.365 20 0 BGADHN CCN(CC)Cc1ccc(SC)s1 ZINC000336668223 386788309 /nfs/dbraw/zinc/78/83/09/386788309.db2.gz ZWWHCVFAWQCBDJ-UHFFFAOYSA-N 0 3 215.387 3.312 20 0 BGADHN CC(C)Cc1ncc(CN[C@@H]2CC2(C)C)s1 ZINC000336668317 386784900 /nfs/dbraw/zinc/78/49/00/386784900.db2.gz MIOLLYMKFXTVSY-LLVKDONJSA-N 0 3 238.400 3.230 20 0 BGADHN CC(C)Cc1ncc(CN[C@H]2CC2(C)C)s1 ZINC000336668330 388461608 /nfs/dbraw/zinc/46/16/08/388461608.db2.gz MIOLLYMKFXTVSY-NSHDSACASA-N 0 3 238.400 3.230 20 0 BGADHN CS[C@@H]1CC[C@H]1NCc1ccc(C)c(F)c1 ZINC000336668392 385065440 /nfs/dbraw/zinc/06/54/40/385065440.db2.gz GASBPLPHAIONDH-CHWSQXEVSA-N 0 3 239.359 3.118 20 0 BGADHN CS[C@H]1CC[C@H]1NCc1ccc(C)c(F)c1 ZINC000336668393 386797341 /nfs/dbraw/zinc/79/73/41/386797341.db2.gz GASBPLPHAIONDH-OLZOCXBDSA-N 0 3 239.359 3.118 20 0 BGADHN CS[C@@H]1CC[C@@H]1NCc1ccc(C)c(F)c1 ZINC000336668394 386796082 /nfs/dbraw/zinc/79/60/82/386796082.db2.gz GASBPLPHAIONDH-QWHCGFSZSA-N 0 3 239.359 3.118 20 0 BGADHN CS[C@H]1CC[C@@H]1NCc1ccc(C)c(F)c1 ZINC000336668395 386795318 /nfs/dbraw/zinc/79/53/18/386795318.db2.gz GASBPLPHAIONDH-STQMWFEESA-N 0 3 239.359 3.118 20 0 BGADHN CSC1(CNCc2ccsc2Cl)CC1 ZINC000336668429 386796270 /nfs/dbraw/zinc/79/62/70/386796270.db2.gz XEBYWQSGNGQCTH-UHFFFAOYSA-N 0 3 247.816 3.387 20 0 BGADHN CC(C)=CCNC(C)(C)c1ccc(C)nc1 ZINC000336668506 188340903 /nfs/dbraw/zinc/34/09/03/188340903.db2.gz MNFCJRGFCQFBJL-UHFFFAOYSA-N 0 3 218.344 3.181 20 0 BGADHN Cc1ccsc1CN(C)C[C@@H]1CC[C@@H](C)O1 ZINC000336668615 386309607 /nfs/dbraw/zinc/30/96/07/386309607.db2.gz PISRRIJORYWQBT-NEPJUHHUSA-N 0 3 239.384 3.056 20 0 BGADHN Cc1ccsc1CN(C)C[C@H]1CC[C@H](C)O1 ZINC000336668628 386310857 /nfs/dbraw/zinc/31/08/57/386310857.db2.gz PISRRIJORYWQBT-NWDGAFQWSA-N 0 3 239.384 3.056 20 0 BGADHN Cc1ccsc1CN(C)C[C@@H]1CC[C@H](C)O1 ZINC000336668630 386309735 /nfs/dbraw/zinc/30/97/35/386309735.db2.gz PISRRIJORYWQBT-RYUDHWBXSA-N 0 3 239.384 3.056 20 0 BGADHN Cc1ccsc1CN(C)C[C@H]1CC[C@@H](C)O1 ZINC000336668632 386309547 /nfs/dbraw/zinc/30/95/47/386309547.db2.gz PISRRIJORYWQBT-VXGBXAGGSA-N 0 3 239.384 3.056 20 0 BGADHN CC(C)SCCN1CCC(C(F)F)CC1 ZINC000336669263 167323883 /nfs/dbraw/zinc/32/38/83/167323883.db2.gz FLXGYOGRUJANCV-UHFFFAOYSA-N 0 3 237.359 3.105 20 0 BGADHN Cc1sccc1CNCc1cnccc1C ZINC000336669331 384802671 /nfs/dbraw/zinc/80/26/71/384802671.db2.gz RLKWBDGIZXZGPV-UHFFFAOYSA-N 0 3 232.352 3.050 20 0 BGADHN CCC(C)(C)N(C)Cc1nc(C)cs1 ZINC000336669505 168288057 /nfs/dbraw/zinc/28/80/57/168288057.db2.gz FDFXAPYPDHYIRL-UHFFFAOYSA-N 0 3 212.362 3.072 20 0 BGADHN CCN(CCC1CC1)Cc1cccc(C)n1 ZINC000336669567 386313757 /nfs/dbraw/zinc/31/37/57/386313757.db2.gz SILXXKLIYXXEPO-UHFFFAOYSA-N 0 3 218.344 3.012 20 0 BGADHN CCN(CCOCC(C)C)Cc1cccs1 ZINC000336669646 386312367 /nfs/dbraw/zinc/31/23/67/386312367.db2.gz UOZRYIREWKUOGO-UHFFFAOYSA-N 0 3 241.400 3.243 20 0 BGADHN CCC(CC)CN(C)Cc1cccc(C)n1 ZINC000336669958 168347314 /nfs/dbraw/zinc/34/73/14/168347314.db2.gz IGBXQXMZZSCAQU-UHFFFAOYSA-N 0 3 220.360 3.258 20 0 BGADHN Cc1ccc(CNC2CCC3(CC3)CC2)o1 ZINC000336670270 385070531 /nfs/dbraw/zinc/07/05/31/385070531.db2.gz ACLCZPOTRYJWNS-UHFFFAOYSA-N 0 3 219.328 3.400 20 0 BGADHN Cc1nc(CN[C@H]2CC[C@@H]2C2CC2)sc1C ZINC000336670331 537819577 /nfs/dbraw/zinc/81/95/77/537819577.db2.gz AEKHNPDUCNZHOM-NEPJUHHUSA-N 0 3 236.384 3.038 20 0 BGADHN Cc1nc(CN[C@@H]2CC[C@H]2C2CC2)sc1C ZINC000336670335 537819817 /nfs/dbraw/zinc/81/98/17/537819817.db2.gz AEKHNPDUCNZHOM-NWDGAFQWSA-N 0 3 236.384 3.038 20 0 BGADHN Cc1nc(CN[C@H]2CC[C@H]2C2CC2)sc1C ZINC000336670336 537818664 /nfs/dbraw/zinc/81/86/64/537818664.db2.gz AEKHNPDUCNZHOM-RYUDHWBXSA-N 0 3 236.384 3.038 20 0 BGADHN Cc1nc(CN[C@@H]2CC[C@@H]2C2CC2)sc1C ZINC000336670337 537821299 /nfs/dbraw/zinc/82/12/99/537821299.db2.gz AEKHNPDUCNZHOM-VXGBXAGGSA-N 0 3 236.384 3.038 20 0 BGADHN CC(C)SCCN1CC(C)(C)OC(C)(C)C1 ZINC000336670799 167322390 /nfs/dbraw/zinc/32/23/90/167322390.db2.gz ZXSBSVQNKUQBQB-UHFFFAOYSA-N 0 3 245.432 3.017 20 0 BGADHN CC(C)C[C@@H](C)N[C@H](C)c1ccncc1F ZINC000336671137 386811585 /nfs/dbraw/zinc/81/15/85/386811585.db2.gz NREKEUJGNMWUNR-GHMZBOCLSA-N 0 3 224.323 3.306 20 0 BGADHN CC(C)C[C@@H](C)N[C@@H](C)c1ccncc1F ZINC000336671138 384831790 /nfs/dbraw/zinc/83/17/90/384831790.db2.gz NREKEUJGNMWUNR-MNOVXSKESA-N 0 3 224.323 3.306 20 0 BGADHN CC(C)C[C@H](C)N[C@@H](C)c1ccncc1F ZINC000336671139 386811313 /nfs/dbraw/zinc/81/13/13/386811313.db2.gz NREKEUJGNMWUNR-QWRGUYRKSA-N 0 3 224.323 3.306 20 0 BGADHN CC(C)C[C@H](C)N[C@H](C)c1ccncc1F ZINC000336671140 188340172 /nfs/dbraw/zinc/34/01/72/188340172.db2.gz NREKEUJGNMWUNR-WDEREUQCSA-N 0 3 224.323 3.306 20 0 BGADHN COc1ccc(F)cc1CNCC1CCCC1 ZINC000336671152 175130675 /nfs/dbraw/zinc/13/06/75/175130675.db2.gz AYGPMSRQWSJYJM-UHFFFAOYSA-N 0 3 237.318 3.114 20 0 BGADHN Cc1sccc1CNCCOCCC(C)C ZINC000336671246 386812957 /nfs/dbraw/zinc/81/29/57/386812957.db2.gz SDOIFEPISLLTIX-UHFFFAOYSA-N 0 3 241.400 3.209 20 0 BGADHN CC1(C)CC[C@H]1NCc1ccccc1F ZINC000336671973 386816899 /nfs/dbraw/zinc/81/68/99/386816899.db2.gz GJITVKFHTROSCE-GFCCVEGCSA-N 0 3 207.292 3.104 20 0 BGADHN CC1(C)CC[C@@H]1NCc1ccccc1F ZINC000336671974 350867954 /nfs/dbraw/zinc/86/79/54/350867954.db2.gz GJITVKFHTROSCE-LBPRGKRZSA-N 0 3 207.292 3.104 20 0 BGADHN C[C@H](CNCc1cccs1)C(F)(F)F ZINC000336672120 386824243 /nfs/dbraw/zinc/82/42/43/386824243.db2.gz ZQIBIIZRHBOKFK-SSDOTTSWSA-N 0 3 223.263 3.036 20 0 BGADHN C[C@@H](CNCc1cccs1)C(F)(F)F ZINC000336672121 386824256 /nfs/dbraw/zinc/82/42/56/386824256.db2.gz ZQIBIIZRHBOKFK-ZETCQYMHSA-N 0 3 223.263 3.036 20 0 BGADHN FC1(F)CCC(CNCc2cscn2)CC1 ZINC000336673089 386831513 /nfs/dbraw/zinc/83/15/13/386831513.db2.gz HQUPAZTYHMFEFK-UHFFFAOYSA-N 0 3 246.326 3.058 20 0 BGADHN c1csc(C2(NCCC3CC3)CCCC2)n1 ZINC000336673097 386831135 /nfs/dbraw/zinc/83/11/35/386831135.db2.gz OJLYYNYBVVSBBD-UHFFFAOYSA-N 0 3 236.384 3.302 20 0 BGADHN Cc1ccc(F)c(CN[C@H]2CC[C@@H](F)C2)c1 ZINC000336673168 386827187 /nfs/dbraw/zinc/82/71/87/386827187.db2.gz AYWPKYXTGJSQRL-NEPJUHHUSA-N 0 3 225.282 3.114 20 0 BGADHN Cc1ccc(F)c(CN[C@@H]2CC[C@H](F)C2)c1 ZINC000336673171 178673855 /nfs/dbraw/zinc/67/38/55/178673855.db2.gz AYWPKYXTGJSQRL-NWDGAFQWSA-N 0 3 225.282 3.114 20 0 BGADHN Cc1ccc(F)c(CN[C@H]2CC[C@H](F)C2)c1 ZINC000336673173 386827160 /nfs/dbraw/zinc/82/71/60/386827160.db2.gz AYWPKYXTGJSQRL-RYUDHWBXSA-N 0 3 225.282 3.114 20 0 BGADHN Cc1ccc(F)c(CN[C@@H]2CC[C@@H](F)C2)c1 ZINC000336673176 386827206 /nfs/dbraw/zinc/82/72/06/386827206.db2.gz AYWPKYXTGJSQRL-VXGBXAGGSA-N 0 3 225.282 3.114 20 0 BGADHN Cc1cc(CNCc2ccc(O)cc2)cs1 ZINC000336673390 178027792 /nfs/dbraw/zinc/02/77/92/178027792.db2.gz TTZALMQNPFPOPY-UHFFFAOYSA-N 0 3 233.336 3.052 20 0 BGADHN CC1(C)CC(NCc2ccccc2F)C1 ZINC000336673987 167889673 /nfs/dbraw/zinc/88/96/73/167889673.db2.gz ABYCBTBAMWYPPH-UHFFFAOYSA-N 0 3 207.292 3.104 20 0 BGADHN c1csc([C@H](NCc2cc[nH]c2)C2CC2)c1 ZINC000336674051 386840952 /nfs/dbraw/zinc/84/09/52/386840952.db2.gz OXKXZYMSSJXYJB-CYBMUJFWSA-N 0 3 232.352 3.317 20 0 BGADHN c1csc([C@@H](NCc2cc[nH]c2)C2CC2)c1 ZINC000336674161 386843218 /nfs/dbraw/zinc/84/32/18/386843218.db2.gz OXKXZYMSSJXYJB-ZDUSSCGKSA-N 0 3 232.352 3.317 20 0 BGADHN c1nc(C2CCC2)sc1CNC1CCC1 ZINC000336674415 386850688 /nfs/dbraw/zinc/85/06/88/386850688.db2.gz AESXKWNQYBXRKP-UHFFFAOYSA-N 0 3 222.357 3.053 20 0 BGADHN Cc1noc(C)c1C(C)(C)NCCC(C)C ZINC000336674464 386850601 /nfs/dbraw/zinc/85/06/01/386850601.db2.gz PBYDGLBZDCGXBE-UHFFFAOYSA-N 0 3 224.348 3.162 20 0 BGADHN Cc1cc(CNCC2CCC(C)(C)CC2)no1 ZINC000336674709 178019903 /nfs/dbraw/zinc/01/99/03/178019903.db2.gz BXYKIBWXHWSXHO-UHFFFAOYSA-N 0 3 236.359 3.289 20 0 BGADHN CCc1noc(C)c1CN(C)C(C)(C)CC ZINC000336675052 172075572 /nfs/dbraw/zinc/07/55/72/172075572.db2.gz LVSTUHKFCRYDIA-UHFFFAOYSA-N 0 3 224.348 3.166 20 0 BGADHN CCOCCCN1CCc2sccc2[C@H]1C ZINC000336675270 170374439 /nfs/dbraw/zinc/37/44/39/170374439.db2.gz MLBUJRCDLLEAAL-LLVKDONJSA-N 0 3 239.384 3.094 20 0 BGADHN CCOCCCN1CCc2sccc2[C@@H]1C ZINC000336675271 170374968 /nfs/dbraw/zinc/37/49/68/170374968.db2.gz MLBUJRCDLLEAAL-NSHDSACASA-N 0 3 239.384 3.094 20 0 BGADHN C[C@@H](NCCC1(F)CCC1)c1nccs1 ZINC000336675488 385596434 /nfs/dbraw/zinc/59/64/34/385596434.db2.gz AJYHIVYDETVLRM-SECBINFHSA-N 0 3 228.336 3.076 20 0 BGADHN C[C@H](NCCC1(F)CCC1)c1nccs1 ZINC000336675531 386852188 /nfs/dbraw/zinc/85/21/88/386852188.db2.gz AJYHIVYDETVLRM-VIFPVBQESA-N 0 3 228.336 3.076 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CN[C@H]2CC[C@H]2C)o1 ZINC000336675750 176216904 /nfs/dbraw/zinc/21/69/04/176216904.db2.gz VHOMSFDJXYEOFZ-AAXDQBDMSA-N 0 3 219.328 3.291 20 0 BGADHN C[C@H]1C[C@H]1c1ccc(CN[C@H]2CC[C@H]2C)o1 ZINC000336675754 177386848 /nfs/dbraw/zinc/38/68/48/177386848.db2.gz VHOMSFDJXYEOFZ-DNIRFERGSA-N 0 3 219.328 3.291 20 0 BGADHN C[C@H]1C[C@@H]1c1ccc(CN[C@H]2CC[C@H]2C)o1 ZINC000336675757 177351632 /nfs/dbraw/zinc/35/16/32/177351632.db2.gz VHOMSFDJXYEOFZ-URBCHYCLSA-N 0 3 219.328 3.291 20 0 BGADHN C[C@@H]1C[C@H]1c1ccc(CN[C@H]2CC[C@H]2C)o1 ZINC000336675759 176217328 /nfs/dbraw/zinc/21/73/28/176217328.db2.gz VHOMSFDJXYEOFZ-WFFHOREQSA-N 0 3 219.328 3.291 20 0 BGADHN CCC[C@@H](C)CN[C@H](C)c1ccncc1F ZINC000336675905 169361031 /nfs/dbraw/zinc/36/10/31/169361031.db2.gz BQDFVYFPJTZEAQ-GHMZBOCLSA-N 0 3 224.323 3.308 20 0 BGADHN CCC[C@@H](C)CN[C@@H](C)c1ccncc1F ZINC000336675909 169359728 /nfs/dbraw/zinc/35/97/28/169359728.db2.gz BQDFVYFPJTZEAQ-MNOVXSKESA-N 0 3 224.323 3.308 20 0 BGADHN CCC[C@H](C)CN[C@@H](C)c1ccncc1F ZINC000336675911 385599578 /nfs/dbraw/zinc/59/95/78/385599578.db2.gz BQDFVYFPJTZEAQ-QWRGUYRKSA-N 0 3 224.323 3.308 20 0 BGADHN CCC[C@H](C)CN[C@H](C)c1ccncc1F ZINC000336675914 385599818 /nfs/dbraw/zinc/59/98/18/385599818.db2.gz BQDFVYFPJTZEAQ-WDEREUQCSA-N 0 3 224.323 3.308 20 0 BGADHN CC[C@@H](F)CN[C@@H](C)c1cccc(OC)c1 ZINC000336675939 385599348 /nfs/dbraw/zinc/59/93/48/385599348.db2.gz BRVSNMJWSQVYGD-CMPLNLGQSA-N 0 3 225.307 3.094 20 0 BGADHN CC[C@H](F)CN[C@@H](C)c1cccc(OC)c1 ZINC000336676581 385602006 /nfs/dbraw/zinc/60/20/06/385602006.db2.gz BRVSNMJWSQVYGD-JQWIXIFHSA-N 0 3 225.307 3.094 20 0 BGADHN CC[C@H](F)CN[C@H](C)c1cccc(OC)c1 ZINC000336676582 384911183 /nfs/dbraw/zinc/91/11/83/384911183.db2.gz BRVSNMJWSQVYGD-PWSUYJOCSA-N 0 3 225.307 3.094 20 0 BGADHN CC[C@@H](F)CN[C@H](C)c1cccc(OC)c1 ZINC000336676583 385602145 /nfs/dbraw/zinc/60/21/45/385602145.db2.gz BRVSNMJWSQVYGD-ZYHUDNBSSA-N 0 3 225.307 3.094 20 0 BGADHN CC(C)N(CCC(F)(F)F)C1CCC1 ZINC000336676789 188181967 /nfs/dbraw/zinc/18/19/67/188181967.db2.gz ZPTNWRWSBYQZJH-UHFFFAOYSA-N 0 3 209.255 3.202 20 0 BGADHN CCSCCN(C)Cc1sccc1C ZINC000336676798 386327730 /nfs/dbraw/zinc/32/77/30/386327730.db2.gz ZRRLKYGZSNNCNX-UHFFFAOYSA-N 0 3 229.414 3.241 20 0 BGADHN CCc1ccc(CNCC(CC)(CC)OC)o1 ZINC000336677072 385604842 /nfs/dbraw/zinc/60/48/42/385604842.db2.gz CJVOGVHEWALPNG-UHFFFAOYSA-N 0 3 239.359 3.137 20 0 BGADHN CC1(C)C[C@H]1NCc1cnc(C2CCC2)s1 ZINC000336677305 385609838 /nfs/dbraw/zinc/60/98/38/385609838.db2.gz BMWPFSXGWWZLLB-LLVKDONJSA-N 0 3 236.384 3.299 20 0 BGADHN CCc1noc(C)c1CN1C[C@H](C)CC[C@H]1C ZINC000336677308 172078227 /nfs/dbraw/zinc/07/82/27/172078227.db2.gz AZNMSRIZPPVHJY-GHMZBOCLSA-N 0 3 236.359 3.166 20 0 BGADHN CCc1noc(C)c1CN1C[C@@H](C)CC[C@H]1C ZINC000336677309 172077758 /nfs/dbraw/zinc/07/77/58/172077758.db2.gz AZNMSRIZPPVHJY-WDEREUQCSA-N 0 3 236.359 3.166 20 0 BGADHN CC1(C)C[C@@H]1NCc1cnc(C2CCC2)s1 ZINC000336677314 385608584 /nfs/dbraw/zinc/60/85/84/385608584.db2.gz BMWPFSXGWWZLLB-NSHDSACASA-N 0 3 236.384 3.299 20 0 BGADHN c1coc(-c2ncc(CNC3CCC3)s2)c1 ZINC000336677591 384920444 /nfs/dbraw/zinc/92/04/44/384920444.db2.gz QDWPFCAMYWTTLY-UHFFFAOYSA-N 0 3 234.324 3.045 20 0 BGADHN Cc1ccc(F)c(CN[C@@H]2CSC2(C)C)c1 ZINC000336677992 385613786 /nfs/dbraw/zinc/61/37/86/385613786.db2.gz CDMRTRMBMHBJQR-GFCCVEGCSA-N 0 3 239.359 3.118 20 0 BGADHN Cc1ccc(F)c(CN[C@H]2CSC2(C)C)c1 ZINC000336677995 384942587 /nfs/dbraw/zinc/94/25/87/384942587.db2.gz CDMRTRMBMHBJQR-LBPRGKRZSA-N 0 3 239.359 3.118 20 0 BGADHN CCCC[C@H](C)[C@@H](C)NCc1cc(C)no1 ZINC000336678110 350891818 /nfs/dbraw/zinc/89/18/18/350891818.db2.gz CFXGORNVSRKTDB-CMPLNLGQSA-N 0 3 224.348 3.287 20 0 BGADHN CCCC[C@H](C)[C@H](C)NCc1cc(C)no1 ZINC000336678111 350891950 /nfs/dbraw/zinc/89/19/50/350891950.db2.gz CFXGORNVSRKTDB-JQWIXIFHSA-N 0 3 224.348 3.287 20 0 BGADHN CCCC[C@@H](C)[C@H](C)NCc1cc(C)no1 ZINC000336678112 350892126 /nfs/dbraw/zinc/89/21/26/350892126.db2.gz CFXGORNVSRKTDB-PWSUYJOCSA-N 0 3 224.348 3.287 20 0 BGADHN CCCC[C@@H](C)[C@@H](C)NCc1cc(C)no1 ZINC000336678113 350892008 /nfs/dbraw/zinc/89/20/08/350892008.db2.gz CFXGORNVSRKTDB-ZYHUDNBSSA-N 0 3 224.348 3.287 20 0 BGADHN Fc1ccccc1CN[C@@H]1CC12CCCC2 ZINC000336678380 181012826 /nfs/dbraw/zinc/01/28/26/181012826.db2.gz MUSZRGILFNJSBT-CYBMUJFWSA-N 0 3 219.303 3.248 20 0 BGADHN Fc1ccccc1CN[C@H]1CC12CCCC2 ZINC000336678385 181013297 /nfs/dbraw/zinc/01/32/97/181013297.db2.gz MUSZRGILFNJSBT-ZDUSSCGKSA-N 0 3 219.303 3.248 20 0 BGADHN CCSCCN1CC[C@H]1Cc1ccccc1 ZINC000336678536 386319138 /nfs/dbraw/zinc/31/91/38/386319138.db2.gz ORBOXHSXJKSZAB-AWEZNQCLSA-N 0 3 235.396 3.057 20 0 BGADHN CCSCCN1CC[C@@H]1Cc1ccccc1 ZINC000336678537 386317576 /nfs/dbraw/zinc/31/75/76/386317576.db2.gz ORBOXHSXJKSZAB-CQSZACIVSA-N 0 3 235.396 3.057 20 0 BGADHN C[C@H](NCC1(C)CCC1)c1ccncc1F ZINC000336678583 385619275 /nfs/dbraw/zinc/61/92/75/385619275.db2.gz AFCIQILAMIFMFK-JTQLQIEISA-N 0 3 222.307 3.062 20 0 BGADHN C[C@@H](NCC1(C)CCC1)c1ccncc1F ZINC000336678592 385619910 /nfs/dbraw/zinc/61/99/10/385619910.db2.gz AFCIQILAMIFMFK-SNVBAGLBSA-N 0 3 222.307 3.062 20 0 BGADHN CC[C@@H]1CC[C@H]1NCc1ccc(F)cc1F ZINC000336679088 171058626 /nfs/dbraw/zinc/05/86/26/171058626.db2.gz CIOIMMBSUAHBQM-NOZJJQNGSA-N 0 3 225.282 3.243 20 0 BGADHN CC[C@@H]1CC[C@@H]1NCc1ccc(F)cc1F ZINC000336679089 171043936 /nfs/dbraw/zinc/04/39/36/171043936.db2.gz CIOIMMBSUAHBQM-RNCFNFMXSA-N 0 3 225.282 3.243 20 0 BGADHN CC[C@H]1CC[C@H]1NCc1ccc(F)cc1F ZINC000336679090 385619874 /nfs/dbraw/zinc/61/98/74/385619874.db2.gz CIOIMMBSUAHBQM-TVQRCGJNSA-N 0 3 225.282 3.243 20 0 BGADHN CC[C@H]1CC[C@@H]1NCc1ccc(F)cc1F ZINC000336679091 385618926 /nfs/dbraw/zinc/61/89/26/385618926.db2.gz CIOIMMBSUAHBQM-ZANVPECISA-N 0 3 225.282 3.243 20 0 BGADHN CCC[C@H](C)CNCc1oc(CC)nc1C ZINC000336679135 384957846 /nfs/dbraw/zinc/95/78/46/384957846.db2.gz CKHCBPVMNHMIMM-JTQLQIEISA-N 0 3 224.348 3.071 20 0 BGADHN CCC[C@@H](C)CNCc1oc(CC)nc1C ZINC000336679136 169359926 /nfs/dbraw/zinc/35/99/26/169359926.db2.gz CKHCBPVMNHMIMM-SNVBAGLBSA-N 0 3 224.348 3.071 20 0 BGADHN CC(C)CN1CC(c2nc3ccccc3s2)C1 ZINC000336679859 350436475 /nfs/dbraw/zinc/43/64/75/350436475.db2.gz CEJWHSMQYMSVNQ-UHFFFAOYSA-N 0 3 246.379 3.352 20 0 BGADHN FC(F)(F)CCNCc1sccc1Cl ZINC000336680095 385627656 /nfs/dbraw/zinc/62/76/56/385627656.db2.gz GECOSIZCRDCGFB-UHFFFAOYSA-N 0 3 243.681 3.444 20 0 BGADHN CC(C)Cc1ncc(CNCC2(C)CC2)s1 ZINC000336680268 385629523 /nfs/dbraw/zinc/62/95/23/385629523.db2.gz RFTVMKSXNULASR-UHFFFAOYSA-N 0 3 238.400 3.231 20 0 BGADHN CCc1ncc(CN(C)C2CCCCC2)s1 ZINC000336680463 386334881 /nfs/dbraw/zinc/33/48/81/386334881.db2.gz QMOFXJAXIZCJRN-UHFFFAOYSA-N 0 3 238.400 3.470 20 0 BGADHN CCCC(CCC)NCc1nnc(CC)s1 ZINC000336680563 385632305 /nfs/dbraw/zinc/63/23/05/385632305.db2.gz CTTCIIBNOLVCQF-UHFFFAOYSA-N 0 3 241.404 3.159 20 0 BGADHN Cc1nc(CN2CC[C@@H](C)[C@H](C)C2)c(C)s1 ZINC000336681070 386336715 /nfs/dbraw/zinc/33/67/15/386336715.db2.gz YNFVXHILRZYKGO-NXEZZACHSA-N 0 3 238.400 3.238 20 0 BGADHN Cc1nc(CN2CC[C@H](C)[C@@H](C)C2)c(C)s1 ZINC000336681077 386337585 /nfs/dbraw/zinc/33/75/85/386337585.db2.gz YNFVXHILRZYKGO-UWVGGRQHSA-N 0 3 238.400 3.238 20 0 BGADHN Cc1nc(CN2CC[C@H](C)[C@H](C)C2)c(C)s1 ZINC000336681085 386337785 /nfs/dbraw/zinc/33/77/85/386337785.db2.gz YNFVXHILRZYKGO-VHSXEESVSA-N 0 3 238.400 3.238 20 0 BGADHN Cc1nc(CN2CC[C@@H](C)[C@@H](C)C2)c(C)s1 ZINC000336681091 386338347 /nfs/dbraw/zinc/33/83/47/386338347.db2.gz YNFVXHILRZYKGO-ZJUUUORDSA-N 0 3 238.400 3.238 20 0 BGADHN Cc1csc([C@H](C)NCCCCCF)n1 ZINC000336681404 385634377 /nfs/dbraw/zinc/63/43/77/385634377.db2.gz JCMBUHOKBXVRTM-JTQLQIEISA-N 0 3 230.352 3.242 20 0 BGADHN Cc1csc([C@@H](C)NCCCCCF)n1 ZINC000336681405 385635279 /nfs/dbraw/zinc/63/52/79/385635279.db2.gz JCMBUHOKBXVRTM-SNVBAGLBSA-N 0 3 230.352 3.242 20 0 BGADHN Cc1cc(CNC(C2CCC2)C2CCC2)no1 ZINC000336681422 178016683 /nfs/dbraw/zinc/01/66/83/178016683.db2.gz BQCOUQPXLKESQJ-UHFFFAOYSA-N 0 3 234.343 3.041 20 0 BGADHN Cc1csc(C2(N[C@H](C)C(C)C)CCC2)n1 ZINC000336681796 385640874 /nfs/dbraw/zinc/64/08/74/385640874.db2.gz RRCYBFZNVBVDDQ-LLVKDONJSA-N 0 3 238.400 3.465 20 0 BGADHN Cc1csc(C2(N[C@@H](C)C(C)C)CCC2)n1 ZINC000336681800 385638709 /nfs/dbraw/zinc/63/87/09/385638709.db2.gz RRCYBFZNVBVDDQ-NSHDSACASA-N 0 3 238.400 3.465 20 0 BGADHN CC(C)[C@H](CC(F)(F)F)NCc1ccco1 ZINC000336681847 385640650 /nfs/dbraw/zinc/64/06/50/385640650.db2.gz RSQXGEVJVMOIJA-JTQLQIEISA-N 0 3 235.249 3.346 20 0 BGADHN CC(C)[C@@H](CC(F)(F)F)NCc1ccco1 ZINC000336681864 167389648 /nfs/dbraw/zinc/38/96/48/167389648.db2.gz RSQXGEVJVMOIJA-SNVBAGLBSA-N 0 3 235.249 3.346 20 0 BGADHN CC(C)(NCc1ccncc1)c1cccs1 ZINC000336681917 188164295 /nfs/dbraw/zinc/16/42/95/188164295.db2.gz RVYUFRKVTSDAMI-UHFFFAOYSA-N 0 3 232.352 3.168 20 0 BGADHN CCC[C@H](C)N(C)Cc1c(C)onc1CC ZINC000336683130 386340299 /nfs/dbraw/zinc/34/02/99/386340299.db2.gz SKZLSVPBJWLIRJ-JTQLQIEISA-N 0 3 224.348 3.166 20 0 BGADHN CCC[C@@H](C)N(C)Cc1c(C)onc1CC ZINC000336683131 169365559 /nfs/dbraw/zinc/36/55/59/169365559.db2.gz SKZLSVPBJWLIRJ-SNVBAGLBSA-N 0 3 224.348 3.166 20 0 BGADHN CC(C)OCCCN1CC[C@H]1c1ccccc1 ZINC000336683354 167217152 /nfs/dbraw/zinc/21/71/52/167217152.db2.gz DPWGTQJORUEDGS-HNNXBMFYSA-N 0 3 233.355 3.249 20 0 BGADHN CC(C)OCCCN1CC[C@@H]1c1ccccc1 ZINC000336683358 167216231 /nfs/dbraw/zinc/21/62/31/167216231.db2.gz DPWGTQJORUEDGS-OAHLLOKOSA-N 0 3 233.355 3.249 20 0 BGADHN CCN(CCC1CC1)CCC(F)(F)F ZINC000336683456 386331657 /nfs/dbraw/zinc/33/16/57/386331657.db2.gz IYNQAHGSYRAEBE-UHFFFAOYSA-N 0 3 209.255 3.061 20 0 BGADHN CCCN(Cc1nc(C)c(C)o1)CC(C)C ZINC000336683574 169180676 /nfs/dbraw/zinc/18/06/76/169180676.db2.gz ZBJAPDLLSZILLG-UHFFFAOYSA-N 0 3 224.348 3.159 20 0 BGADHN CC1(C)CC[C@H]1NCc1cc(F)c(F)c(F)c1 ZINC000336683978 385669152 /nfs/dbraw/zinc/66/91/52/385669152.db2.gz COZSTLJRCJQDAA-LLVKDONJSA-N 0 3 243.272 3.382 20 0 BGADHN CC1(C)CC[C@@H]1NCc1cc(F)c(F)c(F)c1 ZINC000336684001 350919837 /nfs/dbraw/zinc/91/98/37/350919837.db2.gz COZSTLJRCJQDAA-NSHDSACASA-N 0 3 243.272 3.382 20 0 BGADHN CCN(Cc1c(C)noc1C)CC(C)(C)C ZINC000336684575 386335980 /nfs/dbraw/zinc/33/59/80/386335980.db2.gz ZTBNGDGBNXAQTP-UHFFFAOYSA-N 0 3 224.348 3.159 20 0 BGADHN CC(C)(NCc1cccnc1)c1cccs1 ZINC000336684680 188255779 /nfs/dbraw/zinc/25/57/79/188255779.db2.gz SXRWJUVLZOIWQM-UHFFFAOYSA-N 0 3 232.352 3.168 20 0 BGADHN CSCCCCN[C@H](C)c1cc(C)ccn1 ZINC000336684892 385678658 /nfs/dbraw/zinc/67/86/58/385678658.db2.gz ICODSIDPTHJWOA-GFCCVEGCSA-N 0 3 238.400 3.184 20 0 BGADHN CSCCCCN[C@@H](C)c1cc(C)ccn1 ZINC000336684893 385679118 /nfs/dbraw/zinc/67/91/18/385679118.db2.gz ICODSIDPTHJWOA-LBPRGKRZSA-N 0 3 238.400 3.184 20 0 BGADHN CCc1noc(C)c1CN1CCC(C)(C)CC1 ZINC000336685297 172075811 /nfs/dbraw/zinc/07/58/11/172075811.db2.gz FNEJJAYHQRRMTG-UHFFFAOYSA-N 0 3 236.359 3.167 20 0 BGADHN CC[C@@H](C)CN1CCc2ccc(F)cc2C1 ZINC000336685504 386357719 /nfs/dbraw/zinc/35/77/19/386357719.db2.gz VJJAEPULRNDZQL-LLVKDONJSA-N 0 3 221.319 3.230 20 0 BGADHN CC[C@H](C)CN1CCc2ccc(F)cc2C1 ZINC000336685507 171282968 /nfs/dbraw/zinc/28/29/68/171282968.db2.gz VJJAEPULRNDZQL-NSHDSACASA-N 0 3 221.319 3.230 20 0 BGADHN Cc1nc(CN2CC[C@@H](C(C)C)C2)sc1C ZINC000336685706 386345503 /nfs/dbraw/zinc/34/55/03/386345503.db2.gz VNRPKFQMFXBNGH-GFCCVEGCSA-N 0 3 238.400 3.238 20 0 BGADHN Cc1nc(CN2CC[C@H](C(C)C)C2)sc1C ZINC000336685708 386344074 /nfs/dbraw/zinc/34/40/74/386344074.db2.gz VNRPKFQMFXBNGH-LBPRGKRZSA-N 0 3 238.400 3.238 20 0 BGADHN COc1cccc(CNC(C)(C)C(C)(C)C)n1 ZINC000336686134 175263916 /nfs/dbraw/zinc/26/39/16/175263916.db2.gz GECDVHDFAVSENN-UHFFFAOYSA-N 0 3 236.359 3.005 20 0 BGADHN COc1ccccc1[C@@H](C)NCC[C@@H](C)F ZINC000336686894 175344366 /nfs/dbraw/zinc/34/43/66/175344366.db2.gz JBXYKWRREDJPBV-GHMZBOCLSA-N 0 3 225.307 3.094 20 0 BGADHN COc1ccccc1[C@H](C)NCC[C@@H](C)F ZINC000336686896 175351076 /nfs/dbraw/zinc/35/10/76/175351076.db2.gz JBXYKWRREDJPBV-MNOVXSKESA-N 0 3 225.307 3.094 20 0 BGADHN COc1ccccc1[C@H](C)NCC[C@H](C)F ZINC000336686898 175350932 /nfs/dbraw/zinc/35/09/32/175350932.db2.gz JBXYKWRREDJPBV-QWRGUYRKSA-N 0 3 225.307 3.094 20 0 BGADHN COc1ccccc1[C@@H](C)NCC[C@H](C)F ZINC000336686900 175344185 /nfs/dbraw/zinc/34/41/85/175344185.db2.gz JBXYKWRREDJPBV-WDEREUQCSA-N 0 3 225.307 3.094 20 0 BGADHN CC(C)C[C@H](C)CN[C@@H](CO)c1ccsc1 ZINC000336686983 192069393 /nfs/dbraw/zinc/06/93/93/192069393.db2.gz UVWDRAFIZVFVMA-AAEUAGOBSA-N 0 3 241.400 3.053 20 0 BGADHN CC(C)C[C@@H](C)CN[C@H](CO)c1ccsc1 ZINC000336686985 188256194 /nfs/dbraw/zinc/25/61/94/188256194.db2.gz UVWDRAFIZVFVMA-DGCLKSJQSA-N 0 3 241.400 3.053 20 0 BGADHN CC(C)C[C@H](C)CN[C@H](CO)c1ccsc1 ZINC000336686986 385705480 /nfs/dbraw/zinc/70/54/80/385705480.db2.gz UVWDRAFIZVFVMA-WCQYABFASA-N 0 3 241.400 3.053 20 0 BGADHN CC(C)C[C@@H](C)CN[C@@H](CO)c1ccsc1 ZINC000336686987 385704828 /nfs/dbraw/zinc/70/48/28/385704828.db2.gz UVWDRAFIZVFVMA-YPMHNXCESA-N 0 3 241.400 3.053 20 0 BGADHN Clc1ccsc1CNCCc1ccco1 ZINC000336687480 398191061 /nfs/dbraw/zinc/19/10/61/398191061.db2.gz LIVSOWPEUKHLOM-UHFFFAOYSA-N 0 3 241.743 3.327 20 0 BGADHN CC[C@H](N[C@H]1CCC1(C)C)c1ccc(F)cn1 ZINC000336687663 385706116 /nfs/dbraw/zinc/70/61/16/385706116.db2.gz FRPIRYULKQECDO-AAEUAGOBSA-N 0 3 236.334 3.450 20 0 BGADHN CC[C@@H](N[C@@H]1CCC1(C)C)c1ccc(F)cn1 ZINC000336687668 350961369 /nfs/dbraw/zinc/96/13/69/350961369.db2.gz FRPIRYULKQECDO-DGCLKSJQSA-N 0 3 236.334 3.450 20 0 BGADHN CC[C@H](N[C@@H]1CCC1(C)C)c1ccc(F)cn1 ZINC000336687669 385705735 /nfs/dbraw/zinc/70/57/35/385705735.db2.gz FRPIRYULKQECDO-WCQYABFASA-N 0 3 236.334 3.450 20 0 BGADHN CC[C@@H](N[C@H]1CCC1(C)C)c1ccc(F)cn1 ZINC000336687670 350961436 /nfs/dbraw/zinc/96/14/36/350961436.db2.gz FRPIRYULKQECDO-YPMHNXCESA-N 0 3 236.334 3.450 20 0 BGADHN CC[C@@H](C)CN1CCc2c(F)cccc2C1 ZINC000336687751 386351363 /nfs/dbraw/zinc/35/13/63/386351363.db2.gz XRSIGXANTXKHNZ-LLVKDONJSA-N 0 3 221.319 3.230 20 0 BGADHN CC[C@H](C)CN1CCc2c(F)cccc2C1 ZINC000336687752 171282126 /nfs/dbraw/zinc/28/21/26/171282126.db2.gz XRSIGXANTXKHNZ-NSHDSACASA-N 0 3 221.319 3.230 20 0 BGADHN FCCC[C@@H]1CCC[C@H]1NCc1cscn1 ZINC000336688083 398191785 /nfs/dbraw/zinc/19/17/85/398191785.db2.gz UVFDWLPKDWOSSF-CMPLNLGQSA-N 0 3 242.363 3.151 20 0 BGADHN FCCC[C@@H]1CCC[C@@H]1NCc1cscn1 ZINC000336688094 385708988 /nfs/dbraw/zinc/70/89/88/385708988.db2.gz UVFDWLPKDWOSSF-JQWIXIFHSA-N 0 3 242.363 3.151 20 0 BGADHN FCCC[C@H]1CCC[C@@H]1NCc1cscn1 ZINC000336688095 385709025 /nfs/dbraw/zinc/70/90/25/385709025.db2.gz UVFDWLPKDWOSSF-PWSUYJOCSA-N 0 3 242.363 3.151 20 0 BGADHN FCCC[C@H]1CCC[C@H]1NCc1cscn1 ZINC000336688096 385707597 /nfs/dbraw/zinc/70/75/97/385707597.db2.gz UVFDWLPKDWOSSF-ZYHUDNBSSA-N 0 3 242.363 3.151 20 0 BGADHN Cc1csc(C(C)(C)NCC2(C)CCC2)n1 ZINC000336688250 385708908 /nfs/dbraw/zinc/70/89/08/385708908.db2.gz JQHDZSIALRCRGK-UHFFFAOYSA-N 0 3 238.400 3.466 20 0 BGADHN C[C@@H]1CC[C@@H]1NCc1ccc(F)cc1Cl ZINC000336688504 176216727 /nfs/dbraw/zinc/21/67/27/176216727.db2.gz LTJAWYJCNXPQLO-PELKAZGASA-N 0 3 227.710 3.367 20 0 BGADHN C[C@@H]1CC[C@H]1NCc1ccc(F)cc1Cl ZINC000336688505 176237018 /nfs/dbraw/zinc/23/70/18/176237018.db2.gz LTJAWYJCNXPQLO-PRHODGIISA-N 0 3 227.710 3.367 20 0 BGADHN C[C@H]1CC[C@H]1NCc1ccc(F)cc1Cl ZINC000336688506 177206995 /nfs/dbraw/zinc/20/69/95/177206995.db2.gz LTJAWYJCNXPQLO-QPUJVOFHSA-N 0 3 227.710 3.367 20 0 BGADHN C[C@H]1CC[C@@H]1NCc1ccc(F)cc1Cl ZINC000336688507 177195193 /nfs/dbraw/zinc/19/51/93/177195193.db2.gz LTJAWYJCNXPQLO-UFBFGSQYSA-N 0 3 227.710 3.367 20 0 BGADHN Cc1nc(CN2CC[C@@H](C(C)C)C2)c(C)s1 ZINC000336688613 386352237 /nfs/dbraw/zinc/35/22/37/386352237.db2.gz YNLUSKATEZZHAB-GFCCVEGCSA-N 0 3 238.400 3.238 20 0 BGADHN Cc1nc(CN2CC[C@H](C(C)C)C2)c(C)s1 ZINC000336688615 386350446 /nfs/dbraw/zinc/35/04/46/386350446.db2.gz YNLUSKATEZZHAB-LBPRGKRZSA-N 0 3 238.400 3.238 20 0 BGADHN CC(C)C[C@H](NC1CCC1)c1ccccn1 ZINC000336688709 388463479 /nfs/dbraw/zinc/46/34/79/388463479.db2.gz VTDXTCGTFXYAAC-AWEZNQCLSA-N 0 3 218.344 3.311 20 0 BGADHN CC(C)C[C@@H](NC1CCC1)c1ccccn1 ZINC000336688711 388463398 /nfs/dbraw/zinc/46/33/98/388463398.db2.gz VTDXTCGTFXYAAC-CQSZACIVSA-N 0 3 218.344 3.311 20 0 BGADHN CC(C)SCCNCc1ccc(Cl)o1 ZINC000336688999 167330851 /nfs/dbraw/zinc/33/08/51/167330851.db2.gz OATBNRGCLNOMJZ-UHFFFAOYSA-N 0 3 233.764 3.164 20 0 BGADHN FC(F)C1(CNCc2ccccc2Cl)CC1 ZINC000336689187 385711424 /nfs/dbraw/zinc/71/14/24/385711424.db2.gz VWXNKIXXARVLSV-UHFFFAOYSA-N 0 3 245.700 3.475 20 0 BGADHN CCN(Cc1cnc(C)s1)CC1CCC1 ZINC000336689369 350445015 /nfs/dbraw/zinc/44/50/15/350445015.db2.gz BZYNQBUGKLTSRR-UHFFFAOYSA-N 0 3 224.373 3.074 20 0 BGADHN CC[C@@H](C)CN1CCN(C)C[C@@H]1c1ccccc1 ZINC000336689777 386354204 /nfs/dbraw/zinc/35/42/04/386354204.db2.gz ANRPSATWZDPELN-GDBMZVCRSA-N 0 3 246.398 3.021 20 0 BGADHN CC[C@H](C)CN1CCN(C)C[C@@H]1c1ccccc1 ZINC000336689781 171280975 /nfs/dbraw/zinc/28/09/75/171280975.db2.gz ANRPSATWZDPELN-GOEBONIOSA-N 0 3 246.398 3.021 20 0 BGADHN CC[C@H](C)CN1CCN(C)C[C@H]1c1ccccc1 ZINC000336689784 171280939 /nfs/dbraw/zinc/28/09/39/171280939.db2.gz ANRPSATWZDPELN-HOCLYGCPSA-N 0 3 246.398 3.021 20 0 BGADHN CC[C@@H](C)CN1CCN(C)C[C@H]1c1ccccc1 ZINC000336689787 386357471 /nfs/dbraw/zinc/35/74/71/386357471.db2.gz ANRPSATWZDPELN-ZBFHGGJFSA-N 0 3 246.398 3.021 20 0 BGADHN COC(C)(C)CCN(Cc1ccco1)C(C)C ZINC000336689824 386358352 /nfs/dbraw/zinc/35/83/52/386358352.db2.gz BXJFOBCLAUTUGJ-UHFFFAOYSA-N 0 3 239.359 3.305 20 0 BGADHN CC(C)Cc1ccc(CN[C@H](C)CF)cc1 ZINC000336690820 385724284 /nfs/dbraw/zinc/72/42/84/385724284.db2.gz WMUSBCVIDZNOQW-GFCCVEGCSA-N 0 3 223.335 3.333 20 0 BGADHN CC(C)Cc1ccc(CN[C@@H](C)CF)cc1 ZINC000336690856 385724523 /nfs/dbraw/zinc/72/45/23/385724523.db2.gz WMUSBCVIDZNOQW-LBPRGKRZSA-N 0 3 223.335 3.333 20 0 BGADHN FCCCCNCc1ccc(F)cc1Cl ZINC000336691001 385727477 /nfs/dbraw/zinc/72/74/77/385727477.db2.gz MPWOXUFNCVOSJG-UHFFFAOYSA-N 0 3 233.689 3.318 20 0 BGADHN CC(C)COCCN(C)[C@@H](C)c1ccccc1 ZINC000336691340 187321759 /nfs/dbraw/zinc/32/17/59/187321759.db2.gz GITBTPJSRJYSTC-AWEZNQCLSA-N 0 3 235.371 3.352 20 0 BGADHN CC(C)COCCN(C)[C@H](C)c1ccccc1 ZINC000336691341 398132918 /nfs/dbraw/zinc/13/29/18/398132918.db2.gz GITBTPJSRJYSTC-CQSZACIVSA-N 0 3 235.371 3.352 20 0 BGADHN CC(C)SCCN(C)CCC(F)(F)F ZINC000336692254 167320661 /nfs/dbraw/zinc/32/06/61/167320661.db2.gz QCEMLKLYEPTJBK-UHFFFAOYSA-N 0 3 229.311 3.012 20 0 BGADHN CC(C)NCc1cscc1C(F)(F)F ZINC000336692478 167121851 /nfs/dbraw/zinc/12/18/51/167121851.db2.gz QLHHESCDIRIZEA-UHFFFAOYSA-N 0 3 223.263 3.265 20 0 BGADHN CC(C)n1ccc(CN2C[C@H](C)C[C@H](C)[C@H]2C)n1 ZINC000336692537 167763628 /nfs/dbraw/zinc/76/36/28/167763628.db2.gz HFXFUSVDDYALCE-HZSPNIEDSA-N 0 3 249.402 3.330 20 0 BGADHN CC(C)n1ccc(CN2C[C@H](C)C[C@@H](C)[C@@H]2C)n1 ZINC000336692538 386363460 /nfs/dbraw/zinc/36/34/60/386363460.db2.gz HFXFUSVDDYALCE-MCIONIFRSA-N 0 3 249.402 3.330 20 0 BGADHN CC(C)n1ccc(CN2C[C@H](C)C[C@@H](C)[C@H]2C)n1 ZINC000336692540 386362154 /nfs/dbraw/zinc/36/21/54/386362154.db2.gz HFXFUSVDDYALCE-MGPQQGTHSA-N 0 3 249.402 3.330 20 0 BGADHN CC(C)n1ccc(CN2C[C@H](C)C[C@H](C)[C@@H]2C)n1 ZINC000336692541 386361857 /nfs/dbraw/zinc/36/18/57/386361857.db2.gz HFXFUSVDDYALCE-RDBSUJKOSA-N 0 3 249.402 3.330 20 0 BGADHN C[C@@H]1CC[C@@H](CN2Cc3ccccc3[C@H]2C)O1 ZINC000336692752 176203772 /nfs/dbraw/zinc/20/37/72/176203772.db2.gz ILBXWNCDFLZHRM-BZPMIXESSA-N 0 3 231.339 3.131 20 0 BGADHN C[C@@H]1CC[C@@H](CN2Cc3ccccc3[C@@H]2C)O1 ZINC000336692760 386365178 /nfs/dbraw/zinc/36/51/78/386365178.db2.gz ILBXWNCDFLZHRM-DYEKYZERSA-N 0 3 231.339 3.131 20 0 BGADHN C[C@@H]1CC[C@H](CN2Cc3ccccc3[C@@H]2C)O1 ZINC000336692763 386365344 /nfs/dbraw/zinc/36/53/44/386365344.db2.gz ILBXWNCDFLZHRM-MBNYWOFBSA-N 0 3 231.339 3.131 20 0 BGADHN C[C@@H]1CC[C@H](CN2Cc3ccccc3[C@H]2C)O1 ZINC000336692765 176225527 /nfs/dbraw/zinc/22/55/27/176225527.db2.gz ILBXWNCDFLZHRM-YRGRVCCFSA-N 0 3 231.339 3.131 20 0 BGADHN C[C@@H]1c2ccccc2CN1CCC1CC1 ZINC000336693166 386364694 /nfs/dbraw/zinc/36/46/94/386364694.db2.gz BXFYKJPGGYIQNP-LLVKDONJSA-N 0 3 201.313 3.363 20 0 BGADHN C[C@H]1c2ccccc2CN1CCC1CC1 ZINC000336693235 386365916 /nfs/dbraw/zinc/36/59/16/386365916.db2.gz BXFYKJPGGYIQNP-NSHDSACASA-N 0 3 201.313 3.363 20 0 BGADHN CCOc1ccccc1CN[C@H]1CCC1(C)C ZINC000336693523 388463380 /nfs/dbraw/zinc/46/33/80/388463380.db2.gz HTKNENGFVJKTON-AWEZNQCLSA-N 0 3 233.355 3.364 20 0 BGADHN Cc1cc(CN(C(C)C)C2CCCC2)on1 ZINC000336693561 386367668 /nfs/dbraw/zinc/36/76/68/386367668.db2.gz DFYJAVYIYSPMOS-UHFFFAOYSA-N 0 3 222.332 3.136 20 0 BGADHN CCOc1ccccc1CN[C@@H]1CCC1(C)C ZINC000336693569 388463706 /nfs/dbraw/zinc/46/37/06/388463706.db2.gz HTKNENGFVJKTON-CQSZACIVSA-N 0 3 233.355 3.364 20 0 BGADHN CC(C)n1ccnc1CN1C[C@H](C)C[C@H](C)[C@H]1C ZINC000336694602 386391175 /nfs/dbraw/zinc/39/11/75/386391175.db2.gz RJLOARYMORRLIR-HZSPNIEDSA-N 0 3 249.402 3.330 20 0 BGADHN CC(C)n1ccnc1CN1C[C@H](C)C[C@@H](C)[C@@H]1C ZINC000336694604 386391050 /nfs/dbraw/zinc/39/10/50/386391050.db2.gz RJLOARYMORRLIR-MCIONIFRSA-N 0 3 249.402 3.330 20 0 BGADHN CC(C)n1ccnc1CN1C[C@H](C)C[C@@H](C)[C@H]1C ZINC000336694606 386390781 /nfs/dbraw/zinc/39/07/81/386390781.db2.gz RJLOARYMORRLIR-MGPQQGTHSA-N 0 3 249.402 3.330 20 0 BGADHN CC(C)n1ccnc1CN1C[C@H](C)C[C@H](C)[C@@H]1C ZINC000336694608 386390379 /nfs/dbraw/zinc/39/03/79/386390379.db2.gz RJLOARYMORRLIR-RDBSUJKOSA-N 0 3 249.402 3.330 20 0 BGADHN Cc1ccccc1CN(C)C[C@@H]1CCC(C)(C)O1 ZINC000336694672 179270451 /nfs/dbraw/zinc/27/04/51/179270451.db2.gz SPJREDYKOFQBCT-HNNXBMFYSA-N 0 3 247.382 3.384 20 0 BGADHN Cc1ccccc1CN(C)C[C@H]1CCC(C)(C)O1 ZINC000336694684 179270403 /nfs/dbraw/zinc/27/04/03/179270403.db2.gz SPJREDYKOFQBCT-OAHLLOKOSA-N 0 3 247.382 3.384 20 0 BGADHN CC(C)(C)OCCN1CC[C@H]1Cc1ccccc1 ZINC000336694730 386389507 /nfs/dbraw/zinc/38/95/07/386389507.db2.gz CELWYULEKWRRDJ-HNNXBMFYSA-N 0 3 247.382 3.119 20 0 BGADHN CC(C)(C)OCCN1CC[C@@H]1Cc1ccccc1 ZINC000336694733 386390027 /nfs/dbraw/zinc/39/00/27/386390027.db2.gz CELWYULEKWRRDJ-OAHLLOKOSA-N 0 3 247.382 3.119 20 0 BGADHN CC1(C)CC[C@H](CN2CC[C@H]2c2ccccc2)O1 ZINC000336694880 350450767 /nfs/dbraw/zinc/45/07/67/350450767.db2.gz WISNKCRVFIWWRC-CABCVRRESA-N 0 3 245.366 3.391 20 0 BGADHN CC1(C)CC[C@@H](CN2CC[C@H]2c2ccccc2)O1 ZINC000336694886 350450742 /nfs/dbraw/zinc/45/07/42/350450742.db2.gz WISNKCRVFIWWRC-GJZGRUSLSA-N 0 3 245.366 3.391 20 0 BGADHN CC1(C)CC[C@H](CN2CC[C@@H]2c2ccccc2)O1 ZINC000336694887 350450920 /nfs/dbraw/zinc/45/09/20/350450920.db2.gz WISNKCRVFIWWRC-HUUCEWRRSA-N 0 3 245.366 3.391 20 0 BGADHN CC1(C)CC[C@@H](CN2CC[C@@H]2c2ccccc2)O1 ZINC000336694888 350450977 /nfs/dbraw/zinc/45/09/77/350450977.db2.gz WISNKCRVFIWWRC-LSDHHAIUSA-N 0 3 245.366 3.391 20 0 BGADHN CCN(Cc1nc(C)cs1)CC1CCC1 ZINC000336695246 350450936 /nfs/dbraw/zinc/45/09/36/350450936.db2.gz ZQLMRUMVATUASG-UHFFFAOYSA-N 0 3 224.373 3.074 20 0 BGADHN CCC1(CNCc2cc(F)ccc2OC)CC1 ZINC000336695799 168479599 /nfs/dbraw/zinc/47/95/99/168479599.db2.gz ILULWTHXVQCFCU-UHFFFAOYSA-N 0 3 237.318 3.114 20 0 BGADHN Cc1cc(C)nc(N[C@@H]2CC[C@@H]2C2CC2)c1 ZINC000336695806 537826026 /nfs/dbraw/zinc/82/60/26/537826026.db2.gz LUUHDKBJIOJXDJ-CHWSQXEVSA-N 0 3 216.328 3.299 20 0 BGADHN Cc1cc(C)nc(N[C@H]2CC[C@@H]2C2CC2)c1 ZINC000336695816 537826257 /nfs/dbraw/zinc/82/62/57/537826257.db2.gz LUUHDKBJIOJXDJ-OLZOCXBDSA-N 0 3 216.328 3.299 20 0 BGADHN Cc1cc(C)nc(N[C@@H]2CC[C@H]2C2CC2)c1 ZINC000336695820 537826424 /nfs/dbraw/zinc/82/64/24/537826424.db2.gz LUUHDKBJIOJXDJ-QWHCGFSZSA-N 0 3 216.328 3.299 20 0 BGADHN Cc1cc(C)nc(N[C@H]2CC[C@H]2C2CC2)c1 ZINC000336695823 537825738 /nfs/dbraw/zinc/82/57/38/537825738.db2.gz LUUHDKBJIOJXDJ-STQMWFEESA-N 0 3 216.328 3.299 20 0 BGADHN Cc1cc([C@@H](C)NCC(C)(C)C(C)C)no1 ZINC000336696036 178222267 /nfs/dbraw/zinc/22/22/67/178222267.db2.gz YOYSZXVXHKJVLR-LLVKDONJSA-N 0 3 224.348 3.316 20 0 BGADHN Cc1cc([C@H](C)NCC(C)(C)C(C)C)no1 ZINC000336696047 178246086 /nfs/dbraw/zinc/24/60/86/178246086.db2.gz YOYSZXVXHKJVLR-NSHDSACASA-N 0 3 224.348 3.316 20 0 BGADHN COC(C)(C)CCN1Cc2ccccc2[C@H]1C ZINC000336696155 386375465 /nfs/dbraw/zinc/37/54/65/386375465.db2.gz QMFPTWNEEGHTQS-GFCCVEGCSA-N 0 3 233.355 3.378 20 0 BGADHN COC(C)(C)CCN1Cc2ccccc2[C@@H]1C ZINC000336696235 386375107 /nfs/dbraw/zinc/37/51/07/386375107.db2.gz QMFPTWNEEGHTQS-LBPRGKRZSA-N 0 3 233.355 3.378 20 0 BGADHN FC(F)C1(CNCc2cccc(Cl)c2)CC1 ZINC000336696463 385746127 /nfs/dbraw/zinc/74/61/27/385746127.db2.gz ZPAGMMOWZZAAMQ-UHFFFAOYSA-N 0 3 245.700 3.475 20 0 BGADHN CC(C)(C)c1cnc(CNCC2(C)CC2)s1 ZINC000336696696 168043981 /nfs/dbraw/zinc/04/39/81/168043981.db2.gz YUSVKIOKIOCGHM-UHFFFAOYSA-N 0 3 238.400 3.330 20 0 BGADHN Fc1ccc(CN[C@@H]2CC[C@H](F)C2)c(Cl)c1 ZINC000336696930 398197206 /nfs/dbraw/zinc/19/72/06/398197206.db2.gz MCYFVRZEEGWWOS-GXSJLCMTSA-N 0 3 245.700 3.459 20 0 BGADHN Fc1ccc(CN[C@H]2CC[C@@H](F)C2)c(Cl)c1 ZINC000336696931 398197490 /nfs/dbraw/zinc/19/74/90/398197490.db2.gz MCYFVRZEEGWWOS-KOLCDFICSA-N 0 3 245.700 3.459 20 0 BGADHN Fc1ccc(CN[C@@H]2CC[C@@H](F)C2)c(Cl)c1 ZINC000336696932 398197438 /nfs/dbraw/zinc/19/74/38/398197438.db2.gz MCYFVRZEEGWWOS-MWLCHTKSSA-N 0 3 245.700 3.459 20 0 BGADHN Fc1ccc(CN[C@H]2CC[C@H](F)C2)c(Cl)c1 ZINC000336696933 398197560 /nfs/dbraw/zinc/19/75/60/398197560.db2.gz MCYFVRZEEGWWOS-ONGXEEELSA-N 0 3 245.700 3.459 20 0 BGADHN C[C@@H]1CC[C@H](CN2CC[C@@H]2c2ccccc2)O1 ZINC000336697105 176225090 /nfs/dbraw/zinc/22/50/90/176225090.db2.gz RHHXCZPJHOHLAW-BPLDGKMQSA-N 0 3 231.339 3.001 20 0 BGADHN C[C@@H]1CC[C@@H](CN2CC[C@H]2c2ccccc2)O1 ZINC000336697107 176203622 /nfs/dbraw/zinc/20/36/22/176203622.db2.gz RHHXCZPJHOHLAW-SNPRPXQTSA-N 0 3 231.339 3.001 20 0 BGADHN C[C@@H]1CC[C@@H](CN2CC[C@@H]2c2ccccc2)O1 ZINC000336697176 176204370 /nfs/dbraw/zinc/20/43/70/176204370.db2.gz RHHXCZPJHOHLAW-VHDGCEQUSA-N 0 3 231.339 3.001 20 0 BGADHN C[C@@H]1CC[C@H](CN2CC[C@H]2c2ccccc2)O1 ZINC000336697180 176224887 /nfs/dbraw/zinc/22/48/87/176224887.db2.gz RHHXCZPJHOHLAW-YUELXQCFSA-N 0 3 231.339 3.001 20 0 BGADHN CC(C)COCCN1CC[C@H]1c1ccccc1 ZINC000336697206 386377957 /nfs/dbraw/zinc/37/79/57/386377957.db2.gz RUCPILLTBHXYHZ-HNNXBMFYSA-N 0 3 233.355 3.106 20 0 BGADHN CC(C)COCCN1CC[C@@H]1c1ccccc1 ZINC000336697207 188011325 /nfs/dbraw/zinc/01/13/25/188011325.db2.gz RUCPILLTBHXYHZ-OAHLLOKOSA-N 0 3 233.355 3.106 20 0 BGADHN C[C@@H]1CC[C@@H]1NCc1cc(Cl)ccc1F ZINC000336697645 176216954 /nfs/dbraw/zinc/21/69/54/176216954.db2.gz OIWWNVZMWVAXIW-PELKAZGASA-N 0 3 227.710 3.367 20 0 BGADHN C[C@@H]1CC[C@H]1NCc1cc(Cl)ccc1F ZINC000336697648 176237056 /nfs/dbraw/zinc/23/70/56/176237056.db2.gz OIWWNVZMWVAXIW-PRHODGIISA-N 0 3 227.710 3.367 20 0 BGADHN C[C@H]1CC[C@H]1NCc1cc(Cl)ccc1F ZINC000336697651 177207457 /nfs/dbraw/zinc/20/74/57/177207457.db2.gz OIWWNVZMWVAXIW-QPUJVOFHSA-N 0 3 227.710 3.367 20 0 BGADHN C[C@H]1CC[C@@H]1NCc1cc(Cl)ccc1F ZINC000336697654 177195016 /nfs/dbraw/zinc/19/50/16/177195016.db2.gz OIWWNVZMWVAXIW-UFBFGSQYSA-N 0 3 227.710 3.367 20 0 BGADHN C[C@@H]1CC[C@@H]1NCc1ccc(Cl)cc1F ZINC000336697972 176217230 /nfs/dbraw/zinc/21/72/30/176217230.db2.gz ONERZRMPBRKFTQ-PELKAZGASA-N 0 3 227.710 3.367 20 0 BGADHN C[C@@H]1CC[C@H]1NCc1ccc(Cl)cc1F ZINC000336697974 176236690 /nfs/dbraw/zinc/23/66/90/176236690.db2.gz ONERZRMPBRKFTQ-PRHODGIISA-N 0 3 227.710 3.367 20 0 BGADHN C[C@H]1CC[C@H]1NCc1ccc(Cl)cc1F ZINC000336697975 177207621 /nfs/dbraw/zinc/20/76/21/177207621.db2.gz ONERZRMPBRKFTQ-QPUJVOFHSA-N 0 3 227.710 3.367 20 0 BGADHN C[C@H]1CC[C@@H]1NCc1ccc(Cl)cc1F ZINC000336697977 177195438 /nfs/dbraw/zinc/19/54/38/177195438.db2.gz ONERZRMPBRKFTQ-UFBFGSQYSA-N 0 3 227.710 3.367 20 0 BGADHN CC(C)COCCN(Cc1ccco1)C(C)C ZINC000336698385 386381574 /nfs/dbraw/zinc/38/15/74/386381574.db2.gz WKVHUSTXUHIYQD-UHFFFAOYSA-N 0 3 239.359 3.163 20 0 BGADHN Cc1nc(CN2C[C@H](C)C[C@H](C)C2)c(C)s1 ZINC000336698416 386381840 /nfs/dbraw/zinc/38/18/40/386381840.db2.gz IROJADWVQUVGSF-AOOOYVTPSA-N 0 3 238.400 3.238 20 0 BGADHN Cc1nc(CN2C[C@H](C)C[C@@H](C)C2)c(C)s1 ZINC000336698417 386382334 /nfs/dbraw/zinc/38/23/34/386382334.db2.gz IROJADWVQUVGSF-NXEZZACHSA-N 0 3 238.400 3.238 20 0 BGADHN Cc1nc(CN2C[C@@H](C)C[C@H](C)C2)c(C)s1 ZINC000336698418 386380854 /nfs/dbraw/zinc/38/08/54/386380854.db2.gz IROJADWVQUVGSF-UWVGGRQHSA-N 0 3 238.400 3.238 20 0 BGADHN Cn1ccc(CNC(C)(C)c2cccs2)c1 ZINC000336698970 385752336 /nfs/dbraw/zinc/75/23/36/385752336.db2.gz MZINSLDXQSWUMA-UHFFFAOYSA-N 0 3 234.368 3.112 20 0 BGADHN CC(C)(C)c1cnc(CNC2(C)CCC2)s1 ZINC000336699016 168064335 /nfs/dbraw/zinc/06/43/35/168064335.db2.gz ZQJFJODJMUBIHJ-UHFFFAOYSA-N 0 3 238.400 3.473 20 0 BGADHN CC(C)[C@@H]1C[C@H](NCCF)c2ccccc21 ZINC000336699040 187307509 /nfs/dbraw/zinc/30/75/09/187307509.db2.gz ZRHQHRYUUUXMMK-KBPBESRZSA-N 0 3 221.319 3.430 20 0 BGADHN CC(C)[C@H]1C[C@H](NCCF)c2ccccc21 ZINC000336699050 385755296 /nfs/dbraw/zinc/75/52/96/385755296.db2.gz ZRHQHRYUUUXMMK-KGLIPLIRSA-N 0 3 221.319 3.430 20 0 BGADHN CC(C)[C@@H]1C[C@@H](NCCF)c2ccccc21 ZINC000336699053 187307449 /nfs/dbraw/zinc/30/74/49/187307449.db2.gz ZRHQHRYUUUXMMK-UONOGXRCSA-N 0 3 221.319 3.430 20 0 BGADHN CC(C)[C@H]1C[C@@H](NCCF)c2ccccc21 ZINC000336699055 385755276 /nfs/dbraw/zinc/75/52/76/385755276.db2.gz ZRHQHRYUUUXMMK-ZIAGYGMSSA-N 0 3 221.319 3.430 20 0 BGADHN FCCCCNCc1ccccc1OC(F)F ZINC000336699223 385759259 /nfs/dbraw/zinc/75/92/59/385759259.db2.gz JIUUZJIRWIKLMS-UHFFFAOYSA-N 0 3 247.260 3.127 20 0 BGADHN C[C@H]1CC[C@H](CN2CC=C(C(C)(C)C)CC2)O1 ZINC000336699598 177202153 /nfs/dbraw/zinc/20/21/53/177202153.db2.gz XYUHRKSPPJGIFR-GXTWGEPZSA-N 0 3 237.387 3.232 20 0 BGADHN C[C@H]1CC[C@@H](CN2CC=C(C(C)(C)C)CC2)O1 ZINC000336699599 177189007 /nfs/dbraw/zinc/18/90/07/177189007.db2.gz XYUHRKSPPJGIFR-JSGCOSHPSA-N 0 3 237.387 3.232 20 0 BGADHN C[C@@H]1CC[C@@H](CN2CC=C(C(C)(C)C)CC2)O1 ZINC000336699600 176202278 /nfs/dbraw/zinc/20/22/78/176202278.db2.gz XYUHRKSPPJGIFR-OCCSQVGLSA-N 0 3 237.387 3.232 20 0 BGADHN C[C@@H]1CC[C@H](CN2CC=C(C(C)(C)C)CC2)O1 ZINC000336699601 176224252 /nfs/dbraw/zinc/22/42/52/176224252.db2.gz XYUHRKSPPJGIFR-TZMCWYRMSA-N 0 3 237.387 3.232 20 0 BGADHN Cc1ccccc1CN(C)CCOCC(C)C ZINC000336699674 179270670 /nfs/dbraw/zinc/27/06/70/179270670.db2.gz YMUIZWXMLGEJKN-UHFFFAOYSA-N 0 3 235.371 3.099 20 0 BGADHN FCCNC1CC(c2ccccc2Cl)C1 ZINC000336699741 385757396 /nfs/dbraw/zinc/75/73/96/385757396.db2.gz OUQQNMCTEVIVDE-UHFFFAOYSA-N 0 3 227.710 3.145 20 0 BGADHN CC(C)SCCN1CCc2sccc2C1 ZINC000336699963 167328224 /nfs/dbraw/zinc/32/82/24/167328224.db2.gz PDNIZPJNNSCQIF-UHFFFAOYSA-N 0 3 241.425 3.248 20 0 BGADHN C[C@@H](NCCF)c1cc2c(s1)CCCC2 ZINC000336699980 385757824 /nfs/dbraw/zinc/75/78/24/385757824.db2.gz PDZLVWGEUJQSHA-SECBINFHSA-N 0 3 227.348 3.247 20 0 BGADHN C[C@H](NCCF)c1cc2c(s1)CCCC2 ZINC000336699993 398240074 /nfs/dbraw/zinc/24/00/74/398240074.db2.gz PDZLVWGEUJQSHA-VIFPVBQESA-N 0 3 227.348 3.247 20 0 BGADHN Cc1nc(C)c(CN2CCC(C)(C)CC2)s1 ZINC000336700708 386402124 /nfs/dbraw/zinc/40/21/24/386402124.db2.gz KYRIYSLOBNGVHB-UHFFFAOYSA-N 0 3 238.400 3.382 20 0 BGADHN Cc1ncc(CN(CCC(C)C)C2CC2)s1 ZINC000336700731 180141798 /nfs/dbraw/zinc/14/17/98/180141798.db2.gz LFIBETUWIARZMF-UHFFFAOYSA-N 0 3 238.400 3.462 20 0 BGADHN CCCN(Cc1nccn1C(C)C)CC(C)C ZINC000336700770 169181471 /nfs/dbraw/zinc/18/14/71/169181471.db2.gz JSGNHAGREHNCIV-UHFFFAOYSA-N 0 3 237.391 3.332 20 0 BGADHN CC[C@]1(C)CCN(Cc2nc(C)c(C)s2)C1 ZINC000336700874 386400411 /nfs/dbraw/zinc/40/04/11/386400411.db2.gz LNTCBRMEZWZKAR-CYBMUJFWSA-N 0 3 238.400 3.382 20 0 BGADHN CC[C@@]1(C)CCN(Cc2nc(C)c(C)s2)C1 ZINC000336700880 171203068 /nfs/dbraw/zinc/20/30/68/171203068.db2.gz LNTCBRMEZWZKAR-ZDUSSCGKSA-N 0 3 238.400 3.382 20 0 BGADHN Cc1nc(CN2C[C@H](C)CC2(C)C)c(C)s1 ZINC000336700921 386402267 /nfs/dbraw/zinc/40/22/67/386402267.db2.gz LPIVBLLFXSJYNR-SECBINFHSA-N 0 3 238.400 3.380 20 0 BGADHN Cc1nc(CN2C[C@@H](C)CC2(C)C)c(C)s1 ZINC000336700927 386401668 /nfs/dbraw/zinc/40/16/68/386401668.db2.gz LPIVBLLFXSJYNR-VIFPVBQESA-N 0 3 238.400 3.380 20 0 BGADHN CC(C)n1ccnc1CN(CC1CC1)CC1CC1 ZINC000336701067 386402197 /nfs/dbraw/zinc/40/21/97/386402197.db2.gz HEZFRIRCWRPKNA-UHFFFAOYSA-N 0 3 247.386 3.086 20 0 BGADHN FCCCCNCc1ccc(Cl)cc1F ZINC000336701473 385766474 /nfs/dbraw/zinc/76/64/74/385766474.db2.gz PXHVXXFKLOIXKS-UHFFFAOYSA-N 0 3 233.689 3.318 20 0 BGADHN CCc1noc(C)c1CN1CC[C@](C)(CC)C1 ZINC000336701559 172077929 /nfs/dbraw/zinc/07/79/29/172077929.db2.gz LSSNKLZRHBGEOZ-AWEZNQCLSA-N 0 3 236.359 3.167 20 0 BGADHN CCc1noc(C)c1CN1CC[C@@](C)(CC)C1 ZINC000336701560 172078059 /nfs/dbraw/zinc/07/80/59/172078059.db2.gz LSSNKLZRHBGEOZ-CQSZACIVSA-N 0 3 236.359 3.167 20 0 BGADHN CCc1noc(C)c1CN1CCC[C@@H](C)[C@H]1C ZINC000336701679 172076430 /nfs/dbraw/zinc/07/64/30/172076430.db2.gz LVECQIIZPRQYOM-GHMZBOCLSA-N 0 3 236.359 3.166 20 0 BGADHN CCc1noc(C)c1CN1CCC[C@@H](C)[C@@H]1C ZINC000336701681 172076366 /nfs/dbraw/zinc/07/63/66/172076366.db2.gz LVECQIIZPRQYOM-MNOVXSKESA-N 0 3 236.359 3.166 20 0 BGADHN CCc1noc(C)c1CN1CCC[C@H](C)[C@@H]1C ZINC000336701683 172077144 /nfs/dbraw/zinc/07/71/44/172077144.db2.gz LVECQIIZPRQYOM-QWRGUYRKSA-N 0 3 236.359 3.166 20 0 BGADHN CCc1noc(C)c1CN1CCC[C@H](C)[C@H]1C ZINC000336701685 172077017 /nfs/dbraw/zinc/07/70/17/172077017.db2.gz LVECQIIZPRQYOM-WDEREUQCSA-N 0 3 236.359 3.166 20 0 BGADHN Cc1nc(CN2C[C@H](C)CC2(C)C)sc1C ZINC000336702092 386403793 /nfs/dbraw/zinc/40/37/93/386403793.db2.gz NBCGIYKOISGWRI-SECBINFHSA-N 0 3 238.400 3.380 20 0 BGADHN Cc1nc(CN2C[C@@H](C)CC2(C)C)sc1C ZINC000336702093 386403711 /nfs/dbraw/zinc/40/37/11/386403711.db2.gz NBCGIYKOISGWRI-VIFPVBQESA-N 0 3 238.400 3.380 20 0 BGADHN CCCN(Cc1ccn(C(C)C)n1)CC(C)C ZINC000336703263 169179987 /nfs/dbraw/zinc/17/99/87/169179987.db2.gz KKRKOWIFLKLAQW-UHFFFAOYSA-N 0 3 237.391 3.332 20 0 BGADHN Cc1cc(CNCCC(F)(F)F)cs1 ZINC000336703268 178021183 /nfs/dbraw/zinc/02/11/83/178021183.db2.gz ZMDVTQNOSYHWCV-UHFFFAOYSA-N 0 3 223.263 3.099 20 0 BGADHN CC[C@H](C)CN1CCO[C@@H](c2ccccc2)C1 ZINC000336703736 351068828 /nfs/dbraw/zinc/06/88/28/351068828.db2.gz BSGDXOFRWKCCOP-DZGCQCFKSA-N 0 3 233.355 3.106 20 0 BGADHN CC[C@@H](C)CN1CCO[C@@H](c2ccccc2)C1 ZINC000336703740 351068444 /nfs/dbraw/zinc/06/84/44/351068444.db2.gz BSGDXOFRWKCCOP-UKRRQHHQSA-N 0 3 233.355 3.106 20 0 BGADHN CC(C)n1ccc(CN(CC2CC2)CC2CC2)n1 ZINC000336703827 386389149 /nfs/dbraw/zinc/38/91/49/386389149.db2.gz IMZOKQQEUXAEQS-UHFFFAOYSA-N 0 3 247.386 3.086 20 0 BGADHN CC(C)n1ccc(CN2CC[C@@H](C(C)(C)C)C2)n1 ZINC000336703831 386389459 /nfs/dbraw/zinc/38/94/59/386389459.db2.gz LQULMJIJPNTGNH-CYBMUJFWSA-N 0 3 249.402 3.332 20 0 BGADHN CC(C)n1ccc(CN2CC[C@H](C(C)(C)C)C2)n1 ZINC000336703832 386390139 /nfs/dbraw/zinc/39/01/39/386390139.db2.gz LQULMJIJPNTGNH-ZDUSSCGKSA-N 0 3 249.402 3.332 20 0 BGADHN Cc1nc(CN2CC[C@@H](C(C)(C)C)C2)cs1 ZINC000336703853 386390106 /nfs/dbraw/zinc/39/01/06/386390106.db2.gz RMZASQRVOCSLON-LLVKDONJSA-N 0 3 238.400 3.320 20 0 BGADHN Cc1nc(CN2CC[C@H](C(C)(C)C)C2)cs1 ZINC000336703858 386389340 /nfs/dbraw/zinc/38/93/40/386389340.db2.gz RMZASQRVOCSLON-NSHDSACASA-N 0 3 238.400 3.320 20 0 BGADHN CCN(Cc1ncc(C)c(OC)c1C)C1CCC1 ZINC000336703932 350454415 /nfs/dbraw/zinc/45/44/15/350454415.db2.gz ITALJXAXJMSZIT-UHFFFAOYSA-N 0 3 248.370 3.081 20 0 BGADHN COc1ccsc1CNC1C(C)(C)C1(C)C ZINC000336703945 175377664 /nfs/dbraw/zinc/37/76/64/175377664.db2.gz OSWMNFIXAIMWSC-UHFFFAOYSA-N 0 3 239.384 3.281 20 0 BGADHN Cc1nc(CN2CCC[C@@H](C)[C@H]2C)c(C)s1 ZINC000336704049 386392050 /nfs/dbraw/zinc/39/20/50/386392050.db2.gz PDQJCGNRLJTMPW-NXEZZACHSA-N 0 3 238.400 3.380 20 0 BGADHN Cc1nc(CN2CCC[C@H](C)[C@@H]2C)c(C)s1 ZINC000336704052 386392924 /nfs/dbraw/zinc/39/29/24/386392924.db2.gz PDQJCGNRLJTMPW-UWVGGRQHSA-N 0 3 238.400 3.380 20 0 BGADHN Cc1nc(CN2CCC[C@H](C)[C@H]2C)c(C)s1 ZINC000336704055 386392191 /nfs/dbraw/zinc/39/21/91/386392191.db2.gz PDQJCGNRLJTMPW-VHSXEESVSA-N 0 3 238.400 3.380 20 0 BGADHN Cc1nc(CN2CCC[C@@H](C)[C@@H]2C)c(C)s1 ZINC000336704064 386392894 /nfs/dbraw/zinc/39/28/94/386392894.db2.gz PDQJCGNRLJTMPW-ZJUUUORDSA-N 0 3 238.400 3.380 20 0 BGADHN Cc1csc(CN2CC[C@@H](C(C)(C)C)C2)n1 ZINC000336704381 386393586 /nfs/dbraw/zinc/39/35/86/386393586.db2.gz WJZSYOYIVCHRRD-LLVKDONJSA-N 0 3 238.400 3.320 20 0 BGADHN Cc1csc(CN2CC[C@H](C(C)(C)C)C2)n1 ZINC000336704382 386393501 /nfs/dbraw/zinc/39/35/01/386393501.db2.gz WJZSYOYIVCHRRD-NSHDSACASA-N 0 3 238.400 3.320 20 0 BGADHN CC[C@@H]1CCCCCN1Cc1cc(C)no1 ZINC000336704385 350455851 /nfs/dbraw/zinc/45/58/51/350455851.db2.gz XNAULEMPQJJTAG-GFCCVEGCSA-N 0 3 222.332 3.138 20 0 BGADHN CC[C@H]1CCCCCN1Cc1cc(C)no1 ZINC000336704388 386393780 /nfs/dbraw/zinc/39/37/80/386393780.db2.gz XNAULEMPQJJTAG-LBPRGKRZSA-N 0 3 222.332 3.138 20 0 BGADHN Fc1cc(C2CC2)ccc1CNCC1CC1 ZINC000336704491 385785010 /nfs/dbraw/zinc/78/50/10/385785010.db2.gz PDQNQPAQYBAFIY-UHFFFAOYSA-N 0 3 219.303 3.203 20 0 BGADHN CC[C@@H]1CCCN(Cc2nc(C)sc2C)C1 ZINC000336705255 350456012 /nfs/dbraw/zinc/45/60/12/350456012.db2.gz PYLFNLYYJJEAIY-GFCCVEGCSA-N 0 3 238.400 3.382 20 0 BGADHN CC[C@H]1CCCN(Cc2nc(C)sc2C)C1 ZINC000336705276 386394746 /nfs/dbraw/zinc/39/47/46/386394746.db2.gz PYLFNLYYJJEAIY-LBPRGKRZSA-N 0 3 238.400 3.382 20 0 BGADHN Cc1nc(CN2C[C@H](C)CC[C@H]2C)c(C)s1 ZINC000336705287 386396223 /nfs/dbraw/zinc/39/62/23/386396223.db2.gz QBXGYKJXYVHBHS-NXEZZACHSA-N 0 3 238.400 3.380 20 0 BGADHN Cc1nc(CN2C[C@@H](C)CC[C@@H]2C)c(C)s1 ZINC000336705288 386396348 /nfs/dbraw/zinc/39/63/48/386396348.db2.gz QBXGYKJXYVHBHS-UWVGGRQHSA-N 0 3 238.400 3.380 20 0 BGADHN Cc1nc(CN2C[C@@H](C)CC[C@H]2C)c(C)s1 ZINC000336705289 386395503 /nfs/dbraw/zinc/39/55/03/386395503.db2.gz QBXGYKJXYVHBHS-VHSXEESVSA-N 0 3 238.400 3.380 20 0 BGADHN Cc1nc(CN2C[C@H](C)CC[C@@H]2C)c(C)s1 ZINC000336705290 386394706 /nfs/dbraw/zinc/39/47/06/386394706.db2.gz QBXGYKJXYVHBHS-ZJUUUORDSA-N 0 3 238.400 3.380 20 0 BGADHN COc1ccc(C)cc1CN(C)CCC1CC1 ZINC000336705740 175075183 /nfs/dbraw/zinc/07/51/83/175075183.db2.gz FGJUXGRAMXGHQE-UHFFFAOYSA-N 0 3 233.355 3.236 20 0 BGADHN C[C@H](N[C@]1(C)CCO[C@H]1C)c1ccccc1F ZINC000336705800 386398414 /nfs/dbraw/zinc/39/84/14/386398414.db2.gz GUGGJUVGRIALLH-COPLHBTASA-N 0 3 237.318 3.044 20 0 BGADHN C[C@H](N[C@]1(C)CCO[C@@H]1C)c1ccccc1F ZINC000336705801 386398717 /nfs/dbraw/zinc/39/87/17/386398717.db2.gz GUGGJUVGRIALLH-MISXGVKJSA-N 0 3 237.318 3.044 20 0 BGADHN C[C@H](N[C@@]1(C)CCO[C@H]1C)c1ccccc1F ZINC000336705802 386398655 /nfs/dbraw/zinc/39/86/55/386398655.db2.gz GUGGJUVGRIALLH-MJVIPROJSA-N 0 3 237.318 3.044 20 0 BGADHN C[C@H](N[C@@]1(C)CCO[C@@H]1C)c1ccccc1F ZINC000336705803 386397308 /nfs/dbraw/zinc/39/73/08/386397308.db2.gz GUGGJUVGRIALLH-WDMOLILDSA-N 0 3 237.318 3.044 20 0 BGADHN C[C@H](N[C@]1(C)CCO[C@H]1C)c1ccc(F)cc1 ZINC000336705835 386398921 /nfs/dbraw/zinc/39/89/21/386398921.db2.gz HERVDJKEUOJDPP-COPLHBTASA-N 0 3 237.318 3.044 20 0 BGADHN C[C@H](N[C@]1(C)CCO[C@@H]1C)c1ccc(F)cc1 ZINC000336705837 176930801 /nfs/dbraw/zinc/93/08/01/176930801.db2.gz HERVDJKEUOJDPP-MISXGVKJSA-N 0 3 237.318 3.044 20 0 BGADHN C[C@H](N[C@@]1(C)CCO[C@H]1C)c1ccc(F)cc1 ZINC000336705840 188012565 /nfs/dbraw/zinc/01/25/65/188012565.db2.gz HERVDJKEUOJDPP-MJVIPROJSA-N 0 3 237.318 3.044 20 0 BGADHN C[C@H](N[C@@]1(C)CCO[C@@H]1C)c1ccc(F)cc1 ZINC000336705842 386398392 /nfs/dbraw/zinc/39/83/92/386398392.db2.gz HERVDJKEUOJDPP-WDMOLILDSA-N 0 3 237.318 3.044 20 0 BGADHN CCCCN(CCc1c(C)noc1C)C1CC1 ZINC000336705866 386398534 /nfs/dbraw/zinc/39/85/34/386398534.db2.gz OAZMHHORMKFODA-UHFFFAOYSA-N 0 3 236.359 3.098 20 0 BGADHN CC[C@H](C)CN1CCOC[C@@H]1c1ccccc1 ZINC000336706316 171281259 /nfs/dbraw/zinc/28/12/59/171281259.db2.gz FYFIAMGYQSPMPB-DZGCQCFKSA-N 0 3 233.355 3.106 20 0 BGADHN CC[C@@H](C)CN1CCOC[C@H]1c1ccccc1 ZINC000336706319 386398114 /nfs/dbraw/zinc/39/81/14/386398114.db2.gz FYFIAMGYQSPMPB-HIFRSBDPSA-N 0 3 233.355 3.106 20 0 BGADHN CC[C@@H](C)CN1CCOC[C@@H]1c1ccccc1 ZINC000336706321 386399308 /nfs/dbraw/zinc/39/93/08/386399308.db2.gz FYFIAMGYQSPMPB-UKRRQHHQSA-N 0 3 233.355 3.106 20 0 BGADHN CC[C@H](C)CN1CCOC[C@H]1c1ccccc1 ZINC000336706323 171281275 /nfs/dbraw/zinc/28/12/75/171281275.db2.gz FYFIAMGYQSPMPB-ZFWWWQNUSA-N 0 3 233.355 3.106 20 0 BGADHN CCC(CC)CN(Cc1ccccn1)C1CC1 ZINC000336706365 168351131 /nfs/dbraw/zinc/35/11/31/168351131.db2.gz FZXBDRIFKYFHPQ-UHFFFAOYSA-N 0 3 232.371 3.482 20 0 BGADHN Cc1noc(C)c1CN(C(C)C)C1CCC1 ZINC000336706441 386401264 /nfs/dbraw/zinc/40/12/64/386401264.db2.gz RREWHEPSXQWRSP-UHFFFAOYSA-N 0 3 222.332 3.054 20 0 BGADHN CC(C)OCCCN1Cc2ccccc2[C@H]1C ZINC000336706731 167218026 /nfs/dbraw/zinc/21/80/26/167218026.db2.gz OGDMEOCKOWMNPD-CYBMUJFWSA-N 0 3 233.355 3.378 20 0 BGADHN CC(C)OCCCN1Cc2ccccc2[C@@H]1C ZINC000336706735 167218233 /nfs/dbraw/zinc/21/82/33/167218233.db2.gz OGDMEOCKOWMNPD-ZDUSSCGKSA-N 0 3 233.355 3.378 20 0 BGADHN CCC1(NCc2cc(F)ccc2OC)CCC1 ZINC000336707212 385791706 /nfs/dbraw/zinc/79/17/06/385791706.db2.gz LSDWPRGVGJCQOD-UHFFFAOYSA-N 0 3 237.318 3.257 20 0 BGADHN CC(C)n1ccnc1CN1CC[C@@H](C(C)(C)C)C1 ZINC000336707464 386410819 /nfs/dbraw/zinc/41/08/19/386410819.db2.gz ZSVJWZPVRINKLE-CYBMUJFWSA-N 0 3 249.402 3.332 20 0 BGADHN CC(C)n1ccnc1CN1CC[C@H](C(C)(C)C)C1 ZINC000336707465 167772190 /nfs/dbraw/zinc/77/21/90/167772190.db2.gz ZSVJWZPVRINKLE-ZDUSSCGKSA-N 0 3 249.402 3.332 20 0 BGADHN CC[C@@H]1C[C@@H](C)CN1Cc1nc(C)c(C)s1 ZINC000336707535 171116993 /nfs/dbraw/zinc/11/69/93/171116993.db2.gz SQORKYZOPZXDED-BXKDBHETSA-N 0 3 238.400 3.380 20 0 BGADHN CC[C@H]1C[C@H](C)CN1Cc1nc(C)c(C)s1 ZINC000336707544 386414809 /nfs/dbraw/zinc/41/48/09/386414809.db2.gz SQORKYZOPZXDED-CABZTGNLSA-N 0 3 238.400 3.380 20 0 BGADHN CC[C@@H]1C[C@H](C)CN1Cc1nc(C)c(C)s1 ZINC000336707549 171127596 /nfs/dbraw/zinc/12/75/96/171127596.db2.gz SQORKYZOPZXDED-JOYOIKCWSA-N 0 3 238.400 3.380 20 0 BGADHN CC[C@H]1C[C@@H](C)CN1Cc1nc(C)c(C)s1 ZINC000336707550 171676260 /nfs/dbraw/zinc/67/62/60/171676260.db2.gz SQORKYZOPZXDED-SKDRFNHKSA-N 0 3 238.400 3.380 20 0 BGADHN Fc1cccc(Cl)c1CN[C@H]1CC[C@@H](F)C1 ZINC000336707929 385386182 /nfs/dbraw/zinc/38/61/82/385386182.db2.gz QKNNOQAQPKNCGH-BDAKNGLRSA-N 0 3 245.700 3.459 20 0 BGADHN Fc1cccc(Cl)c1CN[C@@H]1CC[C@H](F)C1 ZINC000336707930 385795386 /nfs/dbraw/zinc/79/53/86/385795386.db2.gz QKNNOQAQPKNCGH-DTWKUNHWSA-N 0 3 245.700 3.459 20 0 BGADHN Fc1cccc(Cl)c1CN[C@H]1CC[C@H](F)C1 ZINC000336707932 385794494 /nfs/dbraw/zinc/79/44/94/385794494.db2.gz QKNNOQAQPKNCGH-IUCAKERBSA-N 0 3 245.700 3.459 20 0 BGADHN Fc1cccc(Cl)c1CN[C@@H]1CC[C@@H](F)C1 ZINC000336707934 385794793 /nfs/dbraw/zinc/79/47/93/385794793.db2.gz QKNNOQAQPKNCGH-RKDXNWHRSA-N 0 3 245.700 3.459 20 0 BGADHN CCCC[C@@H](C)[N@@H+](C)Cc1nc(C)ccc1[O-] ZINC000336708069 351077445 /nfs/dbraw/zinc/07/74/45/351077445.db2.gz LYXVXTFQLVJWKO-GFCCVEGCSA-N 0 3 236.359 3.106 20 0 BGADHN CCCC[C@@H](C)[N@H+](C)Cc1nc(C)ccc1[O-] ZINC000336708069 351077441 /nfs/dbraw/zinc/07/74/41/351077441.db2.gz LYXVXTFQLVJWKO-GFCCVEGCSA-N 0 3 236.359 3.106 20 0 BGADHN CCCC[C@H](C)[N@@H+](C)Cc1nc(C)ccc1[O-] ZINC000336708081 365360992 /nfs/dbraw/zinc/36/09/92/365360992.db2.gz LYXVXTFQLVJWKO-LBPRGKRZSA-N 0 3 236.359 3.106 20 0 BGADHN CCCC[C@H](C)[N@H+](C)Cc1nc(C)ccc1[O-] ZINC000336708081 365360988 /nfs/dbraw/zinc/36/09/88/365360988.db2.gz LYXVXTFQLVJWKO-LBPRGKRZSA-N 0 3 236.359 3.106 20 0 BGADHN Cc1cnc([C@H](NCCC2CC2)C2CC2)s1 ZINC000336708274 388466679 /nfs/dbraw/zinc/46/66/79/388466679.db2.gz QSKCJVOEQAZPRJ-GFCCVEGCSA-N 0 3 236.384 3.292 20 0 BGADHN Cc1cnc([C@@H](NCCC2CC2)C2CC2)s1 ZINC000336708275 388466592 /nfs/dbraw/zinc/46/65/92/388466592.db2.gz QSKCJVOEQAZPRJ-LBPRGKRZSA-N 0 3 236.384 3.292 20 0 BGADHN CCCN(Cc1nc(C)sc1C)CC1CC1 ZINC000336708558 169180551 /nfs/dbraw/zinc/18/05/51/169180551.db2.gz VBAVRTVSMHXKNS-UHFFFAOYSA-N 0 3 238.400 3.382 20 0 BGADHN C[C@H](N[C@]1(C)CCO[C@H]1C)c1cccc(F)c1 ZINC000336708797 386417197 /nfs/dbraw/zinc/41/71/97/386417197.db2.gz ZAWHALIOKJJGNL-COPLHBTASA-N 0 3 237.318 3.044 20 0 BGADHN C[C@H](N[C@]1(C)CCO[C@@H]1C)c1cccc(F)c1 ZINC000336708798 386419591 /nfs/dbraw/zinc/41/95/91/386419591.db2.gz ZAWHALIOKJJGNL-MISXGVKJSA-N 0 3 237.318 3.044 20 0 BGADHN C[C@H](N[C@@]1(C)CCO[C@H]1C)c1cccc(F)c1 ZINC000336708800 386417434 /nfs/dbraw/zinc/41/74/34/386417434.db2.gz ZAWHALIOKJJGNL-MJVIPROJSA-N 0 3 237.318 3.044 20 0 BGADHN C[C@H](N[C@@]1(C)CCO[C@@H]1C)c1cccc(F)c1 ZINC000336708801 188182492 /nfs/dbraw/zinc/18/24/92/188182492.db2.gz ZAWHALIOKJJGNL-WDMOLILDSA-N 0 3 237.318 3.044 20 0 BGADHN CC[C@@H]1C[C@@H](C)CN1Cc1nccn1C(C)C ZINC000336709067 171117957 /nfs/dbraw/zinc/11/79/57/171117957.db2.gz PRDJUAINKRZCBU-CHWSQXEVSA-N 0 3 235.375 3.084 20 0 BGADHN CC[C@H]1C[C@@H](C)CN1Cc1nccn1C(C)C ZINC000336709068 386417241 /nfs/dbraw/zinc/41/72/41/386417241.db2.gz PRDJUAINKRZCBU-OLZOCXBDSA-N 0 3 235.375 3.084 20 0 BGADHN CC[C@@H]1C[C@H](C)CN1Cc1nccn1C(C)C ZINC000336709069 171128672 /nfs/dbraw/zinc/12/86/72/171128672.db2.gz PRDJUAINKRZCBU-QWHCGFSZSA-N 0 3 235.375 3.084 20 0 BGADHN CC[C@H]1C[C@H](C)CN1Cc1nccn1C(C)C ZINC000336709070 386418319 /nfs/dbraw/zinc/41/83/19/386418319.db2.gz PRDJUAINKRZCBU-STQMWFEESA-N 0 3 235.375 3.084 20 0 BGADHN CCC1CCN(Cc2sc(C)nc2C)CC1 ZINC000336709236 386418253 /nfs/dbraw/zinc/41/82/53/386418253.db2.gz WKJRTUBTQJAYSM-UHFFFAOYSA-N 0 3 238.400 3.382 20 0 BGADHN CC[C@@H]1C[C@@H](C)CN1Cc1nc(C)sc1C ZINC000336709870 171117019 /nfs/dbraw/zinc/11/70/19/171117019.db2.gz XQSDUHQZXDVNQV-BXKDBHETSA-N 0 3 238.400 3.380 20 0 BGADHN CC[C@H]1C[C@H](C)CN1Cc1nc(C)sc1C ZINC000336709871 386421558 /nfs/dbraw/zinc/42/15/58/386421558.db2.gz XQSDUHQZXDVNQV-CABZTGNLSA-N 0 3 238.400 3.380 20 0 BGADHN CC[C@@H]1C[C@H](C)CN1Cc1nc(C)sc1C ZINC000336709872 171126735 /nfs/dbraw/zinc/12/67/35/171126735.db2.gz XQSDUHQZXDVNQV-JOYOIKCWSA-N 0 3 238.400 3.380 20 0 BGADHN CC[C@H]1C[C@@H](C)CN1Cc1nc(C)sc1C ZINC000336709873 386423365 /nfs/dbraw/zinc/42/33/65/386423365.db2.gz XQSDUHQZXDVNQV-SKDRFNHKSA-N 0 3 238.400 3.380 20 0 BGADHN C[C@H](N[C@@H]1CC[C@H]1C)c1ccccc1F ZINC000336709909 385796827 /nfs/dbraw/zinc/79/68/27/385796827.db2.gz SYNCNXPHYVLKLY-GBIKHYSHSA-N 0 3 207.292 3.275 20 0 BGADHN C[C@H](N[C@H]1CC[C@@H]1C)c1ccccc1F ZINC000336709912 385797118 /nfs/dbraw/zinc/79/71/18/385797118.db2.gz SYNCNXPHYVLKLY-KWBADKCTSA-N 0 3 207.292 3.275 20 0 BGADHN C[C@H](N[C@H]1CC[C@H]1C)c1ccccc1F ZINC000336709914 385798064 /nfs/dbraw/zinc/79/80/64/385798064.db2.gz SYNCNXPHYVLKLY-NRUUGDAUSA-N 0 3 207.292 3.275 20 0 BGADHN C[C@H](N[C@@H]1CC[C@@H]1C)c1ccccc1F ZINC000336709917 385175330 /nfs/dbraw/zinc/17/53/30/385175330.db2.gz SYNCNXPHYVLKLY-OUJBWJOFSA-N 0 3 207.292 3.275 20 0 BGADHN CC[C@@H](CN[C@@H](C)c1ccc(C)c(F)c1)OC ZINC000336710005 385798047 /nfs/dbraw/zinc/79/80/47/385798047.db2.gz MWYJKJDZFOICID-AAEUAGOBSA-N 0 3 239.334 3.210 20 0 BGADHN CC[C@H](CN[C@H](C)c1ccc(C)c(F)c1)OC ZINC000336710016 385797622 /nfs/dbraw/zinc/79/76/22/385797622.db2.gz MWYJKJDZFOICID-DGCLKSJQSA-N 0 3 239.334 3.210 20 0 BGADHN CC[C@H](CN[C@@H](C)c1ccc(C)c(F)c1)OC ZINC000336710017 385795985 /nfs/dbraw/zinc/79/59/85/385795985.db2.gz MWYJKJDZFOICID-WCQYABFASA-N 0 3 239.334 3.210 20 0 BGADHN CC[C@@H](CN[C@H](C)c1ccc(C)c(F)c1)OC ZINC000336710018 385798375 /nfs/dbraw/zinc/79/83/75/385798375.db2.gz MWYJKJDZFOICID-YPMHNXCESA-N 0 3 239.334 3.210 20 0 BGADHN CS[C@H](CNCc1occc1C)C(C)(C)C ZINC000336710261 388465990 /nfs/dbraw/zinc/46/59/90/388465990.db2.gz RPAJTNKOTBNOEM-GFCCVEGCSA-N 0 3 241.400 3.455 20 0 BGADHN CS[C@@H](CNCc1occc1C)C(C)(C)C ZINC000336710263 388466028 /nfs/dbraw/zinc/46/60/28/388466028.db2.gz RPAJTNKOTBNOEM-LBPRGKRZSA-N 0 3 241.400 3.455 20 0 BGADHN CC[C@@H]1CCCN1Cc1ncc(C)c(OC)c1C ZINC000336711594 350459235 /nfs/dbraw/zinc/45/92/35/350459235.db2.gz NVTUCZNEQHZQRM-CYBMUJFWSA-N 0 3 248.370 3.081 20 0 BGADHN CC[C@H]1CCCN1Cc1ncc(C)c(OC)c1C ZINC000336711595 386410354 /nfs/dbraw/zinc/41/03/54/386410354.db2.gz NVTUCZNEQHZQRM-ZDUSSCGKSA-N 0 3 248.370 3.081 20 0 BGADHN CCSCCNCc1ccc2ccccc2n1 ZINC000336711878 388466620 /nfs/dbraw/zinc/46/66/20/388466620.db2.gz PYDLCDAQDIYSHP-UHFFFAOYSA-N 0 3 246.379 3.078 20 0 BGADHN CCOCCCN1C[C@H](C)[C@@H]1c1ccccc1 ZINC000336712069 170376093 /nfs/dbraw/zinc/37/60/93/170376093.db2.gz NPVMREXAANIPEZ-DZGCQCFKSA-N 0 3 233.355 3.106 20 0 BGADHN CCOCCCN1C[C@@H](C)[C@H]1c1ccccc1 ZINC000336712070 170374865 /nfs/dbraw/zinc/37/48/65/170374865.db2.gz NPVMREXAANIPEZ-HIFRSBDPSA-N 0 3 233.355 3.106 20 0 BGADHN CCOCCCN1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000336712071 170374944 /nfs/dbraw/zinc/37/49/44/170374944.db2.gz NPVMREXAANIPEZ-UKRRQHHQSA-N 0 3 233.355 3.106 20 0 BGADHN CCOCCCN1C[C@H](C)[C@H]1c1ccccc1 ZINC000336712072 170376302 /nfs/dbraw/zinc/37/63/02/170376302.db2.gz NPVMREXAANIPEZ-ZFWWWQNUSA-N 0 3 233.355 3.106 20 0 BGADHN Cc1c[nH]nc1CNCCCCC(C)(C)C ZINC000336713029 385802941 /nfs/dbraw/zinc/80/29/41/385802941.db2.gz UAUMQZGOJJXMLY-UHFFFAOYSA-N 0 3 223.364 3.024 20 0 BGADHN C[C@H](c1ccco1)N(C[C@H]1CCCOC1)C1CC1 ZINC000336713214 177048131 /nfs/dbraw/zinc/04/81/31/177048131.db2.gz PBVIECWSLFCRIL-CHWSQXEVSA-N 0 3 249.354 3.232 20 0 BGADHN C[C@H](c1ccco1)N(C[C@@H]1CCCOC1)C1CC1 ZINC000336713215 177048226 /nfs/dbraw/zinc/04/82/26/177048226.db2.gz PBVIECWSLFCRIL-OLZOCXBDSA-N 0 3 249.354 3.232 20 0 BGADHN C[C@@H](c1ccco1)N(C[C@H]1CCCOC1)C1CC1 ZINC000336713216 176032710 /nfs/dbraw/zinc/03/27/10/176032710.db2.gz PBVIECWSLFCRIL-QWHCGFSZSA-N 0 3 249.354 3.232 20 0 BGADHN C[C@@H](c1ccco1)N(C[C@@H]1CCCOC1)C1CC1 ZINC000336713217 176033142 /nfs/dbraw/zinc/03/31/42/176033142.db2.gz PBVIECWSLFCRIL-STQMWFEESA-N 0 3 249.354 3.232 20 0 BGADHN CS[C@@H]1CC[C@H]1N[C@H]1CCCc2occc21 ZINC000336713483 388467077 /nfs/dbraw/zinc/46/70/77/388467077.db2.gz UHSKPZAGTLYVBQ-DMDPSCGWSA-N 0 3 237.368 3.141 20 0 BGADHN CS[C@@H]1CC[C@@H]1N[C@H]1CCCc2occc21 ZINC000336713490 388467098 /nfs/dbraw/zinc/46/70/98/388467098.db2.gz UHSKPZAGTLYVBQ-GMXVVIOVSA-N 0 3 237.368 3.141 20 0 BGADHN CS[C@@H]1CC[C@H]1N[C@@H]1CCCc2occc21 ZINC000336713492 388467060 /nfs/dbraw/zinc/46/70/60/388467060.db2.gz UHSKPZAGTLYVBQ-NQBHXWOUSA-N 0 3 237.368 3.141 20 0 BGADHN CS[C@@H]1CC[C@@H]1N[C@@H]1CCCc2occc21 ZINC000336713497 388467121 /nfs/dbraw/zinc/46/71/21/388467121.db2.gz UHSKPZAGTLYVBQ-NTZNESFSSA-N 0 3 237.368 3.141 20 0 BGADHN CCC(CC)CN(Cc1cccnc1)C1CC1 ZINC000336713830 168350726 /nfs/dbraw/zinc/35/07/26/168350726.db2.gz QKOUUPYLMDNDQY-UHFFFAOYSA-N 0 3 232.371 3.482 20 0 BGADHN C[C@H]1CC[C@H]1NCc1cccc(Cl)c1F ZINC000336714195 177207289 /nfs/dbraw/zinc/20/72/89/177207289.db2.gz VYDZALKDRGCLMU-GZMMTYOYSA-N 0 3 227.710 3.367 20 0 BGADHN C[C@@H]1CC[C@@H]1NCc1cccc(Cl)c1F ZINC000336714197 176216795 /nfs/dbraw/zinc/21/67/95/176216795.db2.gz VYDZALKDRGCLMU-KCJUWKMLSA-N 0 3 227.710 3.367 20 0 BGADHN C[C@H]1CC[C@@H]1NCc1cccc(Cl)c1F ZINC000336714199 177194979 /nfs/dbraw/zinc/19/49/79/177194979.db2.gz VYDZALKDRGCLMU-KWQFWETISA-N 0 3 227.710 3.367 20 0 BGADHN C[C@@H]1CC[C@H]1NCc1cccc(Cl)c1F ZINC000336714202 176236577 /nfs/dbraw/zinc/23/65/77/176236577.db2.gz VYDZALKDRGCLMU-LDYMZIIASA-N 0 3 227.710 3.367 20 0 BGADHN CC(C)SCCNc1ccnc2ccccc21 ZINC000336714728 167328649 /nfs/dbraw/zinc/32/86/49/167328649.db2.gz SHLNHUWGOKMBEF-UHFFFAOYSA-N 0 3 246.379 3.210 20 0 BGADHN CC(C)(C)OCCN1CC[C@H]1c1ccccc1 ZINC000336715067 386432668 /nfs/dbraw/zinc/43/26/68/386432668.db2.gz SPPXCGNNNQIHOI-AWEZNQCLSA-N 0 3 233.355 3.249 20 0 BGADHN CC(C)(C)OCCN1CC[C@@H]1c1ccccc1 ZINC000336715069 386433731 /nfs/dbraw/zinc/43/37/31/386433731.db2.gz SPPXCGNNNQIHOI-CQSZACIVSA-N 0 3 233.355 3.249 20 0 BGADHN CCCCN(Cc1c(CC)noc1C)C1CC1 ZINC000336715281 386432740 /nfs/dbraw/zinc/43/27/40/386432740.db2.gz UNUPVRMIGLLPLV-UHFFFAOYSA-N 0 3 236.359 3.310 20 0 BGADHN COc1ccc(F)cc1CNC1(C)CCCC1 ZINC000336715396 175130423 /nfs/dbraw/zinc/13/04/23/175130423.db2.gz PNXZEEILGHYNBB-UHFFFAOYSA-N 0 3 237.318 3.257 20 0 BGADHN F[C@@H]1CC[C@@H](NCc2scnc2C2CC2)C1 ZINC000336715862 537824784 /nfs/dbraw/zinc/82/47/84/537824784.db2.gz VSIJQOGKIOORGK-NXEZZACHSA-N 0 3 240.347 3.001 20 0 BGADHN F[C@H]1CC[C@H](NCc2scnc2C2CC2)C1 ZINC000336715865 537826783 /nfs/dbraw/zinc/82/67/83/537826783.db2.gz VSIJQOGKIOORGK-UWVGGRQHSA-N 0 3 240.347 3.001 20 0 BGADHN F[C@H]1CC[C@@H](NCc2scnc2C2CC2)C1 ZINC000336715869 537827447 /nfs/dbraw/zinc/82/74/47/537827447.db2.gz VSIJQOGKIOORGK-VHSXEESVSA-N 0 3 240.347 3.001 20 0 BGADHN F[C@@H]1CC[C@H](NCc2scnc2C2CC2)C1 ZINC000336715873 537826400 /nfs/dbraw/zinc/82/64/00/537826400.db2.gz VSIJQOGKIOORGK-ZJUUUORDSA-N 0 3 240.347 3.001 20 0 BGADHN CCc1noc(C)c1CN(CC(C)C)C(C)C ZINC000336715939 172075051 /nfs/dbraw/zinc/07/50/51/172075051.db2.gz VGKPBIRHEBEYMH-UHFFFAOYSA-N 0 3 238.375 3.412 20 0 BGADHN CCC(CC)(CNCc1cccc(F)c1)OC ZINC000336716407 168325522 /nfs/dbraw/zinc/32/55/22/168325522.db2.gz QAYZDAKFVVGOAD-UHFFFAOYSA-N 0 3 239.334 3.121 20 0 BGADHN CCSCCNCc1ccc(SC)cc1 ZINC000336716866 388467563 /nfs/dbraw/zinc/46/75/63/388467563.db2.gz XPUQZDUTRHTFEW-UHFFFAOYSA-N 0 3 241.425 3.251 20 0 BGADHN CCc1noc(C)c1CN(CC)CC(C)(C)C ZINC000336717574 172074902 /nfs/dbraw/zinc/07/49/02/172074902.db2.gz QOIWFYIOSPIFAR-UHFFFAOYSA-N 0 3 238.375 3.413 20 0 BGADHN FCCN[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000336717923 385454517 /nfs/dbraw/zinc/45/45/17/385454517.db2.gz XCSOGKFTGYDIJL-CYBMUJFWSA-N 0 3 225.282 3.226 20 0 BGADHN FCCN[C@H](c1ccc(F)cc1)C1CCC1 ZINC000336717924 385840539 /nfs/dbraw/zinc/84/05/39/385840539.db2.gz XCSOGKFTGYDIJL-ZDUSSCGKSA-N 0 3 225.282 3.226 20 0 BGADHN CC(C)n1ccc(CN2C[C@H](C)CC2(C)C)n1 ZINC000336718156 386439271 /nfs/dbraw/zinc/43/92/71/386439271.db2.gz WVLSALIXCFGXAU-GFCCVEGCSA-N 0 3 235.375 3.084 20 0 BGADHN CC(C)n1ccc(CN2C[C@@H](C)CC2(C)C)n1 ZINC000336718158 386438579 /nfs/dbraw/zinc/43/85/79/386438579.db2.gz WVLSALIXCFGXAU-LBPRGKRZSA-N 0 3 235.375 3.084 20 0 BGADHN COc1ccc(F)cc1CNCC1(C)CCC1 ZINC000336718166 175130131 /nfs/dbraw/zinc/13/01/31/175130131.db2.gz QXDODPVVTIVOJH-UHFFFAOYSA-N 0 3 237.318 3.114 20 0 BGADHN COc1ccc(CNCC2(C)CC2)c(Cl)c1 ZINC000336718608 188167570 /nfs/dbraw/zinc/16/75/70/188167570.db2.gz XMWVBOXAFUDETK-UHFFFAOYSA-N 0 3 239.746 3.238 20 0 BGADHN CCc1noc(C)c1CN1CCC(CC)CC1 ZINC000336718694 172075165 /nfs/dbraw/zinc/07/51/65/172075165.db2.gz XBXAUMDMODVLLK-UHFFFAOYSA-N 0 3 236.359 3.167 20 0 BGADHN COc1ccc(CN[C@@H]2CCC2(C)C)c(F)c1 ZINC000336718838 188256791 /nfs/dbraw/zinc/25/67/91/188256791.db2.gz VLSFSJNZWVFZHG-CYBMUJFWSA-N 0 3 237.318 3.113 20 0 BGADHN COc1ccc(CN[C@H]2CCC2(C)C)c(F)c1 ZINC000336718851 175111927 /nfs/dbraw/zinc/11/19/27/175111927.db2.gz VLSFSJNZWVFZHG-ZDUSSCGKSA-N 0 3 237.318 3.113 20 0 BGADHN CCc1noc(C)c1CN1CCCCC[C@H]1C ZINC000336719011 172076294 /nfs/dbraw/zinc/07/62/94/172076294.db2.gz PAOGYCHTTCXGLA-LLVKDONJSA-N 0 3 236.359 3.310 20 0 BGADHN CCc1noc(C)c1CN1CCCCC[C@@H]1C ZINC000336719012 172075699 /nfs/dbraw/zinc/07/56/99/172075699.db2.gz PAOGYCHTTCXGLA-NSHDSACASA-N 0 3 236.359 3.310 20 0 BGADHN CSCCN1CC[C@@H](C(F)(F)F)C1(C)C ZINC000336719878 386451016 /nfs/dbraw/zinc/45/10/16/386451016.db2.gz ZKIWYEAWASKAEW-MRVPVSSYSA-N 0 3 241.322 3.012 20 0 BGADHN CSCCN1CC[C@H](C(F)(F)F)C1(C)C ZINC000336719879 386452022 /nfs/dbraw/zinc/45/20/22/386452022.db2.gz ZKIWYEAWASKAEW-QMMMGPOBSA-N 0 3 241.322 3.012 20 0 BGADHN COc1ccsc1CN[C@@H]1CC12CCCC2 ZINC000336720013 175378312 /nfs/dbraw/zinc/37/83/12/175378312.db2.gz YQUAFHYCUVZAFY-GFCCVEGCSA-N 0 3 237.368 3.179 20 0 BGADHN COc1ccsc1CN[C@H]1CC12CCCC2 ZINC000336720018 175379274 /nfs/dbraw/zinc/37/92/74/175379274.db2.gz YQUAFHYCUVZAFY-LBPRGKRZSA-N 0 3 237.368 3.179 20 0 BGADHN FCCCNC1(c2ccc(Cl)cc2)CC1 ZINC000336720780 385882216 /nfs/dbraw/zinc/88/22/16/385882216.db2.gz DABHRKWJDJQVRT-UHFFFAOYSA-N 0 3 227.710 3.278 20 0 BGADHN CC[C@@H](NCC[C@@H](C)F)c1nc(C)cs1 ZINC000336721417 170896718 /nfs/dbraw/zinc/89/67/18/170896718.db2.gz DLSQDRLVDDMRHV-PSASIEDQSA-N 0 3 230.352 3.240 20 0 BGADHN CC[C@H](NCC[C@@H](C)F)c1nc(C)cs1 ZINC000336721418 385910401 /nfs/dbraw/zinc/91/04/01/385910401.db2.gz DLSQDRLVDDMRHV-SCZZXKLOSA-N 0 3 230.352 3.240 20 0 BGADHN CC[C@@H](NCC[C@H](C)F)c1nc(C)cs1 ZINC000336721419 385910589 /nfs/dbraw/zinc/91/05/89/385910589.db2.gz DLSQDRLVDDMRHV-WCBMZHEXSA-N 0 3 230.352 3.240 20 0 BGADHN CC[C@H](NCC[C@H](C)F)c1nc(C)cs1 ZINC000336721420 385911066 /nfs/dbraw/zinc/91/10/66/385911066.db2.gz DLSQDRLVDDMRHV-WPRPVWTQSA-N 0 3 230.352 3.240 20 0 BGADHN CC[C@H](N[C@H]1CC[C@@H]1CC)c1nccs1 ZINC000336721458 385910158 /nfs/dbraw/zinc/91/01/58/385910158.db2.gz DPOJRMSUIMSDQF-DCAQKATOSA-N 0 3 224.373 3.372 20 0 BGADHN CC[C@H](N[C@@H]1CC[C@@H]1CC)c1nccs1 ZINC000336721460 385909851 /nfs/dbraw/zinc/90/98/51/385909851.db2.gz DPOJRMSUIMSDQF-GARJFASQSA-N 0 3 224.373 3.372 20 0 BGADHN CC[C@H](N[C@@H]1CC[C@H]1CC)c1nccs1 ZINC000336721461 385910511 /nfs/dbraw/zinc/91/05/11/385910511.db2.gz DPOJRMSUIMSDQF-OUAUKWLOSA-N 0 3 224.373 3.372 20 0 BGADHN CC[C@H](N[C@H]1CC[C@H]1CC)c1nccs1 ZINC000336721462 385473278 /nfs/dbraw/zinc/47/32/78/385473278.db2.gz DPOJRMSUIMSDQF-VWYCJHECSA-N 0 3 224.373 3.372 20 0 BGADHN CSCCCNC(C)(C)c1ccccc1F ZINC000336721483 385912675 /nfs/dbraw/zinc/91/26/75/385912675.db2.gz ZVVWKUBLPIQVMS-UHFFFAOYSA-N 0 3 241.375 3.404 20 0 BGADHN CCC1CC(N[C@@H]2CCCc3occc32)C1 ZINC000336721784 388468589 /nfs/dbraw/zinc/46/85/89/388468589.db2.gz DNJWHSNJLKZESF-GCZXYKMCSA-N 0 3 219.328 3.435 20 0 BGADHN CCC1CC(N[C@H]2CCCc3occc32)C1 ZINC000336721787 168513807 /nfs/dbraw/zinc/51/38/07/168513807.db2.gz DNJWHSNJLKZESF-XIVSLSHWSA-N 0 3 219.328 3.435 20 0 BGADHN Cc1cc(C)nc(NC2CC(C)(C)C2)c1 ZINC000336722477 386161585 /nfs/dbraw/zinc/16/15/85/386161585.db2.gz FBAFHDXJJXLHHQ-UHFFFAOYSA-N 0 3 204.317 3.299 20 0 BGADHN CCc1noc(C)c1CN(CC)CC1CCC1 ZINC000336723980 172075361 /nfs/dbraw/zinc/07/53/61/172075361.db2.gz HAYPVYPZMCSDKS-UHFFFAOYSA-N 0 3 236.359 3.167 20 0 BGADHN CCN(Cc1ccn(C(C)C)n1)CC1CCC1 ZINC000336724101 350478360 /nfs/dbraw/zinc/47/83/60/350478360.db2.gz HMVJJZKTSBYJHQ-UHFFFAOYSA-N 0 3 235.375 3.086 20 0 BGADHN CCOc1c(Cl)cccc1CNC1CCC1 ZINC000336724805 385748669 /nfs/dbraw/zinc/74/86/69/385748669.db2.gz BJFLKACMKFPESK-UHFFFAOYSA-N 0 3 239.746 3.381 20 0 BGADHN CC(C)COCCN(Cc1ccccc1)C1CC1 ZINC000336724951 386462223 /nfs/dbraw/zinc/46/22/23/386462223.db2.gz XHKQZSVVAQQIOI-UHFFFAOYSA-N 0 3 247.382 3.324 20 0 BGADHN Cc1nc(CN2C[C@H](C)C[C@@H](C)[C@H]2C)oc1C ZINC000336725234 386462289 /nfs/dbraw/zinc/46/22/89/386462289.db2.gz RKAJKVCNBGSDMQ-CKYFFXLPSA-N 0 3 236.359 3.158 20 0 BGADHN Cc1nc(CN2C[C@H](C)C[C@@H](C)[C@@H]2C)oc1C ZINC000336725236 386462385 /nfs/dbraw/zinc/46/23/85/386462385.db2.gz RKAJKVCNBGSDMQ-FOGDFJRCSA-N 0 3 236.359 3.158 20 0 BGADHN Cc1nc(CN2C[C@H](C)C[C@H](C)[C@H]2C)oc1C ZINC000336725238 386461412 /nfs/dbraw/zinc/46/14/12/386461412.db2.gz RKAJKVCNBGSDMQ-JFGNBEQYSA-N 0 3 236.359 3.158 20 0 BGADHN Cc1nc(CN2C[C@H](C)C[C@H](C)[C@@H]2C)oc1C ZINC000336725241 386460651 /nfs/dbraw/zinc/46/06/51/386460651.db2.gz RKAJKVCNBGSDMQ-SCVCMEIPSA-N 0 3 236.359 3.158 20 0 BGADHN Cc1cnc(C(C)(C)NCCC2CC2)s1 ZINC000336726030 385870628 /nfs/dbraw/zinc/87/06/28/385870628.db2.gz GQZZQNAGYZHQMI-UHFFFAOYSA-N 0 3 224.373 3.076 20 0 BGADHN CCc1noc(C)c1CN1CC[C@@H](C)[C@@H](C)C1 ZINC000336726917 172077639 /nfs/dbraw/zinc/07/76/39/172077639.db2.gz XJBCMHXPCWRGMD-MNOVXSKESA-N 0 3 236.359 3.023 20 0 BGADHN CCc1noc(C)c1CN1CC[C@H](C)[C@@H](C)C1 ZINC000336726918 172077886 /nfs/dbraw/zinc/07/78/86/172077886.db2.gz XJBCMHXPCWRGMD-QWRGUYRKSA-N 0 3 236.359 3.023 20 0 BGADHN CC[N@@H+](Cc1cc([O-])cc(F)c1)CC(C)(C)C ZINC000336726978 351496581 /nfs/dbraw/zinc/49/65/81/351496581.db2.gz VRUMCKACYQSAHY-UHFFFAOYSA-N 0 3 239.334 3.399 20 0 BGADHN CC[N@H+](Cc1cc([O-])cc(F)c1)CC(C)(C)C ZINC000336726978 351496576 /nfs/dbraw/zinc/49/65/76/351496576.db2.gz VRUMCKACYQSAHY-UHFFFAOYSA-N 0 3 239.334 3.399 20 0 BGADHN CC(C)(C)C1=CCN(CCOCC2CC2)CC1 ZINC000336727076 386464551 /nfs/dbraw/zinc/46/45/51/386464551.db2.gz ZIHWEFUQRGFHNV-UHFFFAOYSA-N 0 3 237.387 3.091 20 0 BGADHN CC[C@@H](NCC[C@H](C)F)c1c(C)noc1C ZINC000336727113 385960985 /nfs/dbraw/zinc/96/09/85/385960985.db2.gz GLEPRGXVWDYBMX-GZMMTYOYSA-N 0 3 228.311 3.080 20 0 BGADHN CC[C@H](NCC[C@@H](C)F)c1c(C)noc1C ZINC000336727114 385960541 /nfs/dbraw/zinc/96/05/41/385960541.db2.gz GLEPRGXVWDYBMX-KCJUWKMLSA-N 0 3 228.311 3.080 20 0 BGADHN CC[C@H](NCC[C@H](C)F)c1c(C)noc1C ZINC000336727115 385962191 /nfs/dbraw/zinc/96/21/91/385962191.db2.gz GLEPRGXVWDYBMX-KWQFWETISA-N 0 3 228.311 3.080 20 0 BGADHN CC[C@@H](NCC[C@@H](C)F)c1c(C)noc1C ZINC000336727116 385960248 /nfs/dbraw/zinc/96/02/48/385960248.db2.gz GLEPRGXVWDYBMX-LDYMZIIASA-N 0 3 228.311 3.080 20 0 BGADHN COCCC(C)(C)NCc1ccccc1Cl ZINC000336727195 174148902 /nfs/dbraw/zinc/14/89/02/174148902.db2.gz CLKRIUMAPXAEHM-UHFFFAOYSA-N 0 3 241.762 3.245 20 0 BGADHN Cc1cc(C)nc(NCC2(C)CCC2)c1 ZINC000336727583 537829502 /nfs/dbraw/zinc/82/95/02/537829502.db2.gz HKMNDDRKYRBQBO-UHFFFAOYSA-N 0 3 204.317 3.301 20 0 BGADHN CC[C@@](C)(NCC[C@@H](C)F)c1nc(C)cs1 ZINC000336727818 171176266 /nfs/dbraw/zinc/17/62/66/171176266.db2.gz GTHXNULPCGMVHP-BXKDBHETSA-N 0 3 244.379 3.414 20 0 BGADHN CC[C@](C)(NCC[C@H](C)F)c1nc(C)cs1 ZINC000336727819 386032941 /nfs/dbraw/zinc/03/29/41/386032941.db2.gz GTHXNULPCGMVHP-CABZTGNLSA-N 0 3 244.379 3.414 20 0 BGADHN CC[C@@](C)(NCC[C@H](C)F)c1nc(C)cs1 ZINC000336727820 171176742 /nfs/dbraw/zinc/17/67/42/171176742.db2.gz GTHXNULPCGMVHP-JOYOIKCWSA-N 0 3 244.379 3.414 20 0 BGADHN CC[C@](C)(NCC[C@@H](C)F)c1nc(C)cs1 ZINC000336727821 171698388 /nfs/dbraw/zinc/69/83/88/171698388.db2.gz GTHXNULPCGMVHP-SKDRFNHKSA-N 0 3 244.379 3.414 20 0 BGADHN CC[C@@H]1CC[C@H]1NCc1ccc(Cl)cn1 ZINC000336728182 171058641 /nfs/dbraw/zinc/05/86/41/171058641.db2.gz HZYVEUIXWBEAKP-BXKDBHETSA-N 0 3 224.735 3.013 20 0 BGADHN CC[C@H]1CC[C@@H]1NCc1ccc(Cl)cn1 ZINC000336728190 386064779 /nfs/dbraw/zinc/06/47/79/386064779.db2.gz HZYVEUIXWBEAKP-CABZTGNLSA-N 0 3 224.735 3.013 20 0 BGADHN CC[C@H]1CC[C@H]1NCc1ccc(Cl)cn1 ZINC000336728191 385521413 /nfs/dbraw/zinc/52/14/13/385521413.db2.gz HZYVEUIXWBEAKP-JOYOIKCWSA-N 0 3 224.735 3.013 20 0 BGADHN CC[C@@H]1CC[C@@H]1NCc1ccc(Cl)cn1 ZINC000336728192 171043896 /nfs/dbraw/zinc/04/38/96/171043896.db2.gz HZYVEUIXWBEAKP-SKDRFNHKSA-N 0 3 224.735 3.013 20 0 BGADHN CC1(CCNCc2c(F)cccc2F)CC1 ZINC000336728235 168020790 /nfs/dbraw/zinc/02/07/90/168020790.db2.gz CKUSJJPMICKSOE-UHFFFAOYSA-N 0 3 225.282 3.245 20 0 BGADHN Cc1csc(C2(N[C@@H](C)C3CC3)CCC2)n1 ZINC000336728322 386068306 /nfs/dbraw/zinc/06/83/06/386068306.db2.gz CMMKSHVAIKRYJL-JTQLQIEISA-N 0 3 236.384 3.219 20 0 BGADHN CC[C@@H]1CCC[C@@H]1NCc1ncc(Cl)s1 ZINC000336728340 188343305 /nfs/dbraw/zinc/34/33/05/188343305.db2.gz IBKFOCBAOPOKIT-BDAKNGLRSA-N 0 3 244.791 3.465 20 0 BGADHN CC[C@H]1CCC[C@H]1NCc1ncc(Cl)s1 ZINC000336728344 187308298 /nfs/dbraw/zinc/30/82/98/187308298.db2.gz IBKFOCBAOPOKIT-DTWKUNHWSA-N 0 3 244.791 3.465 20 0 BGADHN CC[C@H]1CCC[C@@H]1NCc1ncc(Cl)s1 ZINC000336728348 388469829 /nfs/dbraw/zinc/46/98/29/388469829.db2.gz IBKFOCBAOPOKIT-IUCAKERBSA-N 0 3 244.791 3.465 20 0 BGADHN CC[C@@H]1CCC[C@H]1NCc1ncc(Cl)s1 ZINC000336728350 171001615 /nfs/dbraw/zinc/00/16/15/171001615.db2.gz IBKFOCBAOPOKIT-RKDXNWHRSA-N 0 3 244.791 3.465 20 0 BGADHN Cc1csc(C2(N[C@H](C)C3CC3)CCC2)n1 ZINC000336728360 388469900 /nfs/dbraw/zinc/46/99/00/388469900.db2.gz CMMKSHVAIKRYJL-SNVBAGLBSA-N 0 3 236.384 3.219 20 0 BGADHN CC[C@@](C)(NCCC1CC1)c1nc(C)cs1 ZINC000336728587 171174727 /nfs/dbraw/zinc/17/47/27/171174727.db2.gz HGCDDXGJJGVASN-CYBMUJFWSA-N 0 3 238.400 3.466 20 0 BGADHN CC[C@](C)(NCCC1CC1)c1nc(C)cs1 ZINC000336728590 398003102 /nfs/dbraw/zinc/00/31/02/398003102.db2.gz HGCDDXGJJGVASN-ZDUSSCGKSA-N 0 3 238.400 3.466 20 0 BGADHN Cc1ccoc1CN[C@@H]1CC[C@@H]1C1CCC1 ZINC000336728597 398005024 /nfs/dbraw/zinc/00/50/24/398005024.db2.gz HGMQWVJAMKQGBR-CHWSQXEVSA-N 0 3 219.328 3.256 20 0 BGADHN Cc1ccoc1CN[C@H]1CC[C@@H]1C1CCC1 ZINC000336728604 386080287 /nfs/dbraw/zinc/08/02/87/386080287.db2.gz HGMQWVJAMKQGBR-OLZOCXBDSA-N 0 3 219.328 3.256 20 0 BGADHN Cc1ccoc1CN[C@@H]1CC[C@H]1C1CCC1 ZINC000336728605 386079928 /nfs/dbraw/zinc/07/99/28/386079928.db2.gz HGMQWVJAMKQGBR-QWHCGFSZSA-N 0 3 219.328 3.256 20 0 BGADHN Cc1ccoc1CN[C@H]1CC[C@H]1C1CCC1 ZINC000336728607 386078790 /nfs/dbraw/zinc/07/87/90/386078790.db2.gz HGMQWVJAMKQGBR-STQMWFEESA-N 0 3 219.328 3.256 20 0 BGADHN C[C@H](NC1CCC(C)(C)CC1)c1ccon1 ZINC000336729384 386113155 /nfs/dbraw/zinc/11/31/55/386113155.db2.gz DBJWALPZNTUFGB-JTQLQIEISA-N 0 3 222.332 3.294 20 0 BGADHN C[C@@H](NC1CCC(C)(C)CC1)c1ccon1 ZINC000336729396 386113477 /nfs/dbraw/zinc/11/34/77/386113477.db2.gz DBJWALPZNTUFGB-SNVBAGLBSA-N 0 3 222.332 3.294 20 0 BGADHN Cc1cc([C@H](C)N[C@H](C)C2CCCC2)no1 ZINC000336729864 178255031 /nfs/dbraw/zinc/25/50/31/178255031.db2.gz DJOMCJIBTSYMQX-MNOVXSKESA-N 0 3 222.332 3.212 20 0 BGADHN Cc1cc([C@H](C)N[C@@H](C)C2CCCC2)no1 ZINC000336729870 178252411 /nfs/dbraw/zinc/25/24/11/178252411.db2.gz DJOMCJIBTSYMQX-QWRGUYRKSA-N 0 3 222.332 3.212 20 0 BGADHN CCCC[C@@H](C)N[C@H](C)c1ccncc1F ZINC000336730118 351591456 /nfs/dbraw/zinc/59/14/56/351591456.db2.gz IDVZLTIFVLTAEQ-GHMZBOCLSA-N 0 3 224.323 3.450 20 0 BGADHN CCCC[C@@H](C)N[C@@H](C)c1ccncc1F ZINC000336730119 351591365 /nfs/dbraw/zinc/59/13/65/351591365.db2.gz IDVZLTIFVLTAEQ-MNOVXSKESA-N 0 3 224.323 3.450 20 0 BGADHN CCCC[C@H](C)N[C@@H](C)c1ccncc1F ZINC000336730120 351591500 /nfs/dbraw/zinc/59/15/00/351591500.db2.gz IDVZLTIFVLTAEQ-QWRGUYRKSA-N 0 3 224.323 3.450 20 0 BGADHN CCCC[C@H](C)N[C@H](C)c1ccncc1F ZINC000336730121 351591834 /nfs/dbraw/zinc/59/18/34/351591834.db2.gz IDVZLTIFVLTAEQ-WDEREUQCSA-N 0 3 224.323 3.450 20 0 BGADHN CS[C@H]1CC[C@H]1NCc1cccc(Cl)c1 ZINC000336730534 386285083 /nfs/dbraw/zinc/28/50/83/386285083.db2.gz KEYPFAADCZRALA-NEPJUHHUSA-N 0 3 241.787 3.324 20 0 BGADHN CS[C@@H]1CC[C@@H]1NCc1cccc(Cl)c1 ZINC000336730535 386283301 /nfs/dbraw/zinc/28/33/01/386283301.db2.gz KEYPFAADCZRALA-NWDGAFQWSA-N 0 3 241.787 3.324 20 0 BGADHN CS[C@H]1CC[C@@H]1NCc1cccc(Cl)c1 ZINC000336730536 386283884 /nfs/dbraw/zinc/28/38/84/386283884.db2.gz KEYPFAADCZRALA-RYUDHWBXSA-N 0 3 241.787 3.324 20 0 BGADHN CS[C@@H]1CC[C@H]1NCc1cccc(Cl)c1 ZINC000336730538 386285123 /nfs/dbraw/zinc/28/51/23/386285123.db2.gz KEYPFAADCZRALA-VXGBXAGGSA-N 0 3 241.787 3.324 20 0 BGADHN CC(C)OCCCN1CCC[C@H]1c1cccnc1 ZINC000336731173 167213872 /nfs/dbraw/zinc/21/38/72/167213872.db2.gz QVTMVYSCCVXRRR-HNNXBMFYSA-N 0 3 248.370 3.034 20 0 BGADHN CC(C)OCCCN1CCC[C@@H]1c1cccnc1 ZINC000336731181 167213486 /nfs/dbraw/zinc/21/34/86/167213486.db2.gz QVTMVYSCCVXRRR-OAHLLOKOSA-N 0 3 248.370 3.034 20 0 BGADHN C[C@@H](NC1CCC1)c1cc(F)c(F)c(F)c1 ZINC000336731310 411441878 /nfs/dbraw/zinc/44/18/78/411441878.db2.gz FDVZFCUOEVFAQT-SSDOTTSWSA-N 0 3 229.245 3.307 20 0 BGADHN C[C@H](NC1CCC1)c1cc(F)c(F)c(F)c1 ZINC000336731311 411441613 /nfs/dbraw/zinc/44/16/13/411441613.db2.gz FDVZFCUOEVFAQT-ZETCQYMHSA-N 0 3 229.245 3.307 20 0 BGADHN C[C@@H](NCC1CCC(C)(C)CC1)c1ncc[nH]1 ZINC000336731483 537832384 /nfs/dbraw/zinc/83/23/84/537832384.db2.gz YWUAZBIVSJXZQE-LLVKDONJSA-N 0 3 235.375 3.277 20 0 BGADHN C[C@H](NCC1CCC(C)(C)CC1)c1ncc[nH]1 ZINC000336731486 537831861 /nfs/dbraw/zinc/83/18/61/537831861.db2.gz YWUAZBIVSJXZQE-NSHDSACASA-N 0 3 235.375 3.277 20 0 BGADHN CC(C)(C)OCCN1CCC[C@H]1c1cccnc1 ZINC000336731727 386470260 /nfs/dbraw/zinc/47/02/60/386470260.db2.gz RJPGWGZBXYFJSQ-AWEZNQCLSA-N 0 3 248.370 3.034 20 0 BGADHN CC(C)(C)OCCN1CCC[C@@H]1c1cccnc1 ZINC000336731728 386469730 /nfs/dbraw/zinc/46/97/30/386469730.db2.gz RJPGWGZBXYFJSQ-CQSZACIVSA-N 0 3 248.370 3.034 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@H](C)[C@@H]1C)c1ccon1 ZINC000336731897 386343508 /nfs/dbraw/zinc/34/35/08/386343508.db2.gz FLXFMMRZOLGODD-FIQHERPVSA-N 0 3 222.332 3.150 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@@H](C)[C@@H]1C)c1ccon1 ZINC000336731906 386347400 /nfs/dbraw/zinc/34/74/00/386347400.db2.gz FLXFMMRZOLGODD-NOOOWODRSA-N 0 3 222.332 3.150 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@H](C)[C@H]1C)c1ccon1 ZINC000336731907 386347722 /nfs/dbraw/zinc/34/77/22/386347722.db2.gz FLXFMMRZOLGODD-WHOHXGKFSA-N 0 3 222.332 3.150 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@@H](C)[C@H]1C)c1ccon1 ZINC000336731908 386346319 /nfs/dbraw/zinc/34/63/19/386346319.db2.gz FLXFMMRZOLGODD-WISYIIOYSA-N 0 3 222.332 3.150 20 0 BGADHN CS[C@H]1CC[C@H]1NCc1ccc(Cl)cc1 ZINC000336732112 386378160 /nfs/dbraw/zinc/37/81/60/386378160.db2.gz LDWUCNOAJJTXTJ-NEPJUHHUSA-N 0 3 241.787 3.324 20 0 BGADHN CS[C@@H]1CC[C@@H]1NCc1ccc(Cl)cc1 ZINC000336732113 386377854 /nfs/dbraw/zinc/37/78/54/386377854.db2.gz LDWUCNOAJJTXTJ-NWDGAFQWSA-N 0 3 241.787 3.324 20 0 BGADHN CS[C@H]1CC[C@@H]1NCc1ccc(Cl)cc1 ZINC000336732114 386377163 /nfs/dbraw/zinc/37/71/63/386377163.db2.gz LDWUCNOAJJTXTJ-RYUDHWBXSA-N 0 3 241.787 3.324 20 0 BGADHN CS[C@@H]1CC[C@H]1NCc1ccc(Cl)cc1 ZINC000336732115 386378196 /nfs/dbraw/zinc/37/81/96/386378196.db2.gz LDWUCNOAJJTXTJ-VXGBXAGGSA-N 0 3 241.787 3.324 20 0 BGADHN Cc1ccc(CNC(C)(C)CF)cc1C ZINC000336732139 386378518 /nfs/dbraw/zinc/37/85/18/386378518.db2.gz LFZHXFUJCYOLME-UHFFFAOYSA-N 0 3 209.308 3.141 20 0 BGADHN CC[C@H](C)C[C@@H](C)N[C@H](C)c1cc(C)on1 ZINC000336732390 171295574 /nfs/dbraw/zinc/29/55/74/171295574.db2.gz JLDDXUYZZLIVLW-HOSYDEDBSA-N 0 3 224.348 3.458 20 0 BGADHN CC[C@H](C)C[C@H](C)N[C@H](C)c1cc(C)on1 ZINC000336732391 171298701 /nfs/dbraw/zinc/29/87/01/171298701.db2.gz JLDDXUYZZLIVLW-JBLDHEPKSA-N 0 3 224.348 3.458 20 0 BGADHN CC[C@H](C)C[C@H](C)N[C@@H](C)c1cc(C)on1 ZINC000336732392 171298532 /nfs/dbraw/zinc/29/85/32/171298532.db2.gz JLDDXUYZZLIVLW-NHCYSSNCSA-N 0 3 224.348 3.458 20 0 BGADHN CC[C@H](C)C[C@@H](C)N[C@@H](C)c1cc(C)on1 ZINC000336732394 171295738 /nfs/dbraw/zinc/29/57/38/171295738.db2.gz JLDDXUYZZLIVLW-UMNHJUIQSA-N 0 3 224.348 3.458 20 0 BGADHN CCC1CC(NCc2cc(F)ccc2F)C1 ZINC000336732395 386388645 /nfs/dbraw/zinc/38/86/45/386388645.db2.gz JLKBFTWBVPOREU-UHFFFAOYSA-N 0 3 225.282 3.243 20 0 BGADHN CCC(O)(CC)CNCc1ccsc1Cl ZINC000336732677 385566314 /nfs/dbraw/zinc/56/63/14/385566314.db2.gz LWLLTOAJGRWUIJ-UHFFFAOYSA-N 0 3 247.791 3.042 20 0 BGADHN Cc1csc([C@H](NCCCCF)C2CC2)n1 ZINC000336732932 386432862 /nfs/dbraw/zinc/43/28/62/386432862.db2.gz JSHLTFWXSIYGCD-LLVKDONJSA-N 0 3 242.363 3.242 20 0 BGADHN Cc1csc([C@@H](NCCCCF)C2CC2)n1 ZINC000336732933 386434564 /nfs/dbraw/zinc/43/45/64/386434564.db2.gz JSHLTFWXSIYGCD-NSHDSACASA-N 0 3 242.363 3.242 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CCC[C@@H](C)C2)no1 ZINC000336733238 178253414 /nfs/dbraw/zinc/25/34/14/178253414.db2.gz GKFHDMSQWOOBSS-ADEWGFFLSA-N 0 3 222.332 3.212 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2CCC[C@H](C)C2)no1 ZINC000336733239 178258332 /nfs/dbraw/zinc/25/83/32/178258332.db2.gz GKFHDMSQWOOBSS-DLOVCJGASA-N 0 3 222.332 3.212 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2CCC[C@@H](C)C2)no1 ZINC000336733240 178257089 /nfs/dbraw/zinc/25/70/89/178257089.db2.gz GKFHDMSQWOOBSS-USWWRNFRSA-N 0 3 222.332 3.212 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CCC[C@H](C)C2)no1 ZINC000336733241 178254123 /nfs/dbraw/zinc/25/41/23/178254123.db2.gz GKFHDMSQWOOBSS-ZMLRMANQSA-N 0 3 222.332 3.212 20 0 BGADHN C[C@@H](NC[C@H]1CC1(C)C)c1ccc(Cl)cn1 ZINC000336733267 386510796 /nfs/dbraw/zinc/51/07/96/386510796.db2.gz GMIPJDLDCJLYPO-NXEZZACHSA-N 0 3 238.762 3.432 20 0 BGADHN C[C@H](NC[C@@H]1CC1(C)C)c1ccc(Cl)cn1 ZINC000336733268 386510435 /nfs/dbraw/zinc/51/04/35/386510435.db2.gz GMIPJDLDCJLYPO-UWVGGRQHSA-N 0 3 238.762 3.432 20 0 BGADHN C[C@H](NC[C@H]1CC1(C)C)c1ccc(Cl)cn1 ZINC000336733269 386510809 /nfs/dbraw/zinc/51/08/09/386510809.db2.gz GMIPJDLDCJLYPO-VHSXEESVSA-N 0 3 238.762 3.432 20 0 BGADHN C[C@@H](NC[C@@H]1CC1(C)C)c1ccc(Cl)cn1 ZINC000336733270 386513551 /nfs/dbraw/zinc/51/35/51/386513551.db2.gz GMIPJDLDCJLYPO-ZJUUUORDSA-N 0 3 238.762 3.432 20 0 BGADHN C[C@H](CC1CC1)N[C@H](C)c1ccncc1F ZINC000336733294 386515501 /nfs/dbraw/zinc/51/55/01/386515501.db2.gz GOFPDJNLPMYZEV-NXEZZACHSA-N 0 3 222.307 3.060 20 0 BGADHN C[C@@H](CC1CC1)N[C@@H](C)c1ccncc1F ZINC000336733295 386514421 /nfs/dbraw/zinc/51/44/21/386514421.db2.gz GOFPDJNLPMYZEV-UWVGGRQHSA-N 0 3 222.307 3.060 20 0 BGADHN C[C@@H](N[C@@H](C)CC1CC1)c1ccncc1F ZINC000336733297 175657433 /nfs/dbraw/zinc/65/74/33/175657433.db2.gz GOFPDJNLPMYZEV-VHSXEESVSA-N 0 3 222.307 3.060 20 0 BGADHN CCC(CC)CNCc1nnc(C(C)C)s1 ZINC000336733458 168363196 /nfs/dbraw/zinc/36/31/96/168363196.db2.gz KBPHNNMWZIRFHP-UHFFFAOYSA-N 0 3 241.404 3.187 20 0 BGADHN CCCC[C@H](CC)NCc1nnc(CC)s1 ZINC000336733503 351769048 /nfs/dbraw/zinc/76/90/48/351769048.db2.gz KBWMFANBDKCKTA-JTQLQIEISA-N 0 3 241.404 3.159 20 0 BGADHN CCCC[C@@H](CC)NCc1nnc(CC)s1 ZINC000336733504 351768834 /nfs/dbraw/zinc/76/88/34/351768834.db2.gz KBWMFANBDKCKTA-SNVBAGLBSA-N 0 3 241.404 3.159 20 0 BGADHN C[C@H](CC1CC1)N[C@@H](C)c1ccncc1F ZINC000336733627 386546643 /nfs/dbraw/zinc/54/66/43/386546643.db2.gz GOFPDJNLPMYZEV-ZJUUUORDSA-N 0 3 222.307 3.060 20 0 BGADHN C[C@H](CNCc1cccc(F)c1)C(F)(F)F ZINC000336733758 176681498 /nfs/dbraw/zinc/68/14/98/176681498.db2.gz GTNXSOAKWLCGRT-MRVPVSSYSA-N 0 3 235.224 3.114 20 0 BGADHN C[C@@H](CNCc1cccc(F)c1)C(F)(F)F ZINC000336733759 385647111 /nfs/dbraw/zinc/64/71/11/385647111.db2.gz GTNXSOAKWLCGRT-QMMMGPOBSA-N 0 3 235.224 3.114 20 0 BGADHN CC(C)OC[C@@H](C)NCc1ccccc1Cl ZINC000336733994 167257587 /nfs/dbraw/zinc/25/75/87/167257587.db2.gz GYUFNYJOVCJUHL-LLVKDONJSA-N 0 3 241.762 3.243 20 0 BGADHN CC(C)OC[C@H](C)NCc1ccccc1Cl ZINC000336734002 167266158 /nfs/dbraw/zinc/26/61/58/167266158.db2.gz GYUFNYJOVCJUHL-NSHDSACASA-N 0 3 241.762 3.243 20 0 BGADHN Cc1nc([C@H](C)N[C@H]2CC[C@@H]2C2CC2)cs1 ZINC000336734025 180051926 /nfs/dbraw/zinc/05/19/26/180051926.db2.gz HACCLGGGFJFIPI-AXTRIDKLSA-N 0 3 236.384 3.291 20 0 BGADHN Cc1nc([C@H](C)N[C@@H]2CC[C@H]2C2CC2)cs1 ZINC000336734026 180051534 /nfs/dbraw/zinc/05/15/34/180051534.db2.gz HACCLGGGFJFIPI-KPXOXKRLSA-N 0 3 236.384 3.291 20 0 BGADHN Cc1nc([C@H](C)N[C@H]2CC[C@H]2C2CC2)cs1 ZINC000336734028 180051034 /nfs/dbraw/zinc/05/10/34/180051034.db2.gz HACCLGGGFJFIPI-UWJYBYFXSA-N 0 3 236.384 3.291 20 0 BGADHN Cc1nc([C@H](C)N[C@@H]2CC[C@@H]2C2CC2)cs1 ZINC000336734030 180051213 /nfs/dbraw/zinc/05/12/13/180051213.db2.gz HACCLGGGFJFIPI-XXILOJSOSA-N 0 3 236.384 3.291 20 0 BGADHN Cc1ccc(F)cc1CN[C@@H]1CSC1(C)C ZINC000336734656 385668781 /nfs/dbraw/zinc/66/87/81/385668781.db2.gz KZNAMWAXTOFROE-GFCCVEGCSA-N 0 3 239.359 3.118 20 0 BGADHN Cc1ccc(F)cc1CN[C@H]1CSC1(C)C ZINC000336734657 178687699 /nfs/dbraw/zinc/68/76/99/178687699.db2.gz KZNAMWAXTOFROE-LBPRGKRZSA-N 0 3 239.359 3.118 20 0 BGADHN CC(C)c1cnc(CN[C@@H]2CC[C@@H](F)C2)s1 ZINC000336734756 385683741 /nfs/dbraw/zinc/68/37/41/385683741.db2.gz HOHKHZUXKPONHM-NXEZZACHSA-N 0 3 242.363 3.247 20 0 BGADHN CC(C)c1cnc(CN[C@H]2CC[C@H](F)C2)s1 ZINC000336734757 385685021 /nfs/dbraw/zinc/68/50/21/385685021.db2.gz HOHKHZUXKPONHM-UWVGGRQHSA-N 0 3 242.363 3.247 20 0 BGADHN CC(C)c1cnc(CN[C@@H]2CC[C@H](F)C2)s1 ZINC000336734758 385683324 /nfs/dbraw/zinc/68/33/24/385683324.db2.gz HOHKHZUXKPONHM-VHSXEESVSA-N 0 3 242.363 3.247 20 0 BGADHN CC(C)c1cnc(CN[C@H]2CC[C@@H](F)C2)s1 ZINC000336734759 188344850 /nfs/dbraw/zinc/34/48/50/188344850.db2.gz HOHKHZUXKPONHM-ZJUUUORDSA-N 0 3 242.363 3.247 20 0 BGADHN C[C@@H](N[C@H]1CC[C@@H](C)C[C@H]1C)c1ccon1 ZINC000336734800 176234284 /nfs/dbraw/zinc/23/42/84/176234284.db2.gz HRIAOHWBRREGHB-KKOKHZNYSA-N 0 3 222.332 3.150 20 0 BGADHN C[C@@H](N[C@H]1CC[C@@H](C)C[C@@H]1C)c1ccon1 ZINC000336734801 177356814 /nfs/dbraw/zinc/35/68/14/177356814.db2.gz HRIAOHWBRREGHB-KXNHARMFSA-N 0 3 222.332 3.150 20 0 BGADHN C[C@H](N[C@H]1CC[C@@H](C)C[C@@H]1C)c1ccon1 ZINC000336734802 385684581 /nfs/dbraw/zinc/68/45/81/385684581.db2.gz HRIAOHWBRREGHB-RHYQMDGZSA-N 0 3 222.332 3.150 20 0 BGADHN C[C@H](N[C@H]1CC[C@@H](C)C[C@H]1C)c1ccon1 ZINC000336734803 385684442 /nfs/dbraw/zinc/68/44/42/385684442.db2.gz HRIAOHWBRREGHB-WYUUTHIRSA-N 0 3 222.332 3.150 20 0 BGADHN Cc1csc(C(C)(C)NCCC2CC2)n1 ZINC000336735050 385691672 /nfs/dbraw/zinc/69/16/72/385691672.db2.gz NXWFYSZOVRVOJH-UHFFFAOYSA-N 0 3 224.373 3.076 20 0 BGADHN FC(F)(F)C1(CNCc2ccsc2)CC1 ZINC000336735442 385700338 /nfs/dbraw/zinc/70/03/38/385700338.db2.gz OFSNYNXZAVFLJG-UHFFFAOYSA-N 0 3 235.274 3.180 20 0 BGADHN C[C@H](F)CCNC1(c2ccc(F)cc2)CC1 ZINC000336735655 385713781 /nfs/dbraw/zinc/71/37/81/385713781.db2.gz IHXRXNJJFBSDEA-JTQLQIEISA-N 0 3 225.282 3.153 20 0 BGADHN C[C@@H](F)CCNC1(c2ccc(F)cc2)CC1 ZINC000336735657 385713852 /nfs/dbraw/zinc/71/38/52/385713852.db2.gz IHXRXNJJFBSDEA-SNVBAGLBSA-N 0 3 225.282 3.153 20 0 BGADHN CCCC[C@@H](CC)NCc1ccc(F)cn1 ZINC000336735695 351916641 /nfs/dbraw/zinc/91/66/41/351916641.db2.gz LWPKUXIESTXPBU-GFCCVEGCSA-N 0 3 224.323 3.279 20 0 BGADHN CCCC[C@H](CC)NCc1ccc(F)cn1 ZINC000336735696 169000007 /nfs/dbraw/zinc/00/00/07/169000007.db2.gz LWPKUXIESTXPBU-LBPRGKRZSA-N 0 3 224.323 3.279 20 0 BGADHN Cc1nc(CN[C@@H]2CC3CCC2CC3)cs1 ZINC000336735770 385722179 /nfs/dbraw/zinc/72/21/79/385722179.db2.gz MAOURDYQIMZTGZ-GCZXYKMCSA-N 0 3 236.384 3.120 20 0 BGADHN Cc1nc(CN[C@H]2CC3CCC2CC3)cs1 ZINC000336735771 385721307 /nfs/dbraw/zinc/72/13/07/385721307.db2.gz MAOURDYQIMZTGZ-XIVSLSHWSA-N 0 3 236.384 3.120 20 0 BGADHN Cc1cc([C@@H](C)NCCC2CCCC2)no1 ZINC000336735999 178225013 /nfs/dbraw/zinc/22/50/13/178225013.db2.gz INGYDZBQVPGFCE-LLVKDONJSA-N 0 3 222.332 3.214 20 0 BGADHN Cc1cc([C@H](C)NCCC2CCCC2)no1 ZINC000336736007 178247310 /nfs/dbraw/zinc/24/73/10/178247310.db2.gz INGYDZBQVPGFCE-NSHDSACASA-N 0 3 222.332 3.214 20 0 BGADHN CCC[C@@](C)(O)CNCc1ccsc1Cl ZINC000336736302 385742846 /nfs/dbraw/zinc/74/28/46/385742846.db2.gz PHARSGZXFUQLGG-LLVKDONJSA-N 0 3 247.791 3.042 20 0 BGADHN CCC[C@](C)(O)CNCc1ccsc1Cl ZINC000336736303 385743374 /nfs/dbraw/zinc/74/33/74/385743374.db2.gz PHARSGZXFUQLGG-NSHDSACASA-N 0 3 247.791 3.042 20 0 BGADHN Cc1ccoc1CN[C@@H]1CC12CCCC2 ZINC000336736569 385743312 /nfs/dbraw/zinc/74/33/12/385743312.db2.gz PHSFXPLKAKFCQZ-GFCCVEGCSA-N 0 3 205.301 3.010 20 0 BGADHN Cc1ccoc1CN[C@H]1CC12CCCC2 ZINC000336736570 385742627 /nfs/dbraw/zinc/74/26/27/385742627.db2.gz PHSFXPLKAKFCQZ-LBPRGKRZSA-N 0 3 205.301 3.010 20 0 BGADHN CC[C@@H](F)CN[C@@H](C)c1ccc(OC)cc1 ZINC000336736820 398068184 /nfs/dbraw/zinc/06/81/84/398068184.db2.gz MWOPBWMSTWJHGY-CMPLNLGQSA-N 0 3 225.307 3.094 20 0 BGADHN CC[C@H](F)CN[C@@H](C)c1ccc(OC)cc1 ZINC000336736821 398068604 /nfs/dbraw/zinc/06/86/04/398068604.db2.gz MWOPBWMSTWJHGY-JQWIXIFHSA-N 0 3 225.307 3.094 20 0 BGADHN CC[C@H](F)CN[C@H](C)c1ccc(OC)cc1 ZINC000336736822 398068466 /nfs/dbraw/zinc/06/84/66/398068466.db2.gz MWOPBWMSTWJHGY-PWSUYJOCSA-N 0 3 225.307 3.094 20 0 BGADHN CC[C@@H](F)CN[C@H](C)c1ccc(OC)cc1 ZINC000336736823 398068418 /nfs/dbraw/zinc/06/84/18/398068418.db2.gz MWOPBWMSTWJHGY-ZYHUDNBSSA-N 0 3 225.307 3.094 20 0 BGADHN CC[C@@H](NCCOC1CCC1)c1cccs1 ZINC000336736829 398068277 /nfs/dbraw/zinc/06/82/77/398068277.db2.gz MXAUNTBCDRINOO-GFCCVEGCSA-N 0 3 239.384 3.358 20 0 BGADHN CC[C@H](NCCOC1CCC1)c1cccs1 ZINC000336736830 398068523 /nfs/dbraw/zinc/06/85/23/398068523.db2.gz MXAUNTBCDRINOO-LBPRGKRZSA-N 0 3 239.384 3.358 20 0 BGADHN FC(F)C1(CNCc2ccc(Cl)o2)CC1 ZINC000336737153 487720653 /nfs/dbraw/zinc/72/06/53/487720653.db2.gz PUMUSLKZCGGBMM-UHFFFAOYSA-N 0 3 235.661 3.068 20 0 BGADHN CC[C@](C)(NC[C@@H]1C[C@H]1C)c1nc(C)cs1 ZINC000336737317 385759374 /nfs/dbraw/zinc/75/93/74/385759374.db2.gz NHGJLPSHPOPWAZ-CDMKHQONSA-N 0 3 238.400 3.322 20 0 BGADHN CC[C@](C)(NC[C@@H]1C[C@@H]1C)c1nc(C)cs1 ZINC000336737319 385759784 /nfs/dbraw/zinc/75/97/84/385759784.db2.gz NHGJLPSHPOPWAZ-GAFUQQFSSA-N 0 3 238.400 3.322 20 0 BGADHN CC[C@](C)(NC[C@H]1C[C@@H]1C)c1nc(C)cs1 ZINC000336737320 385758709 /nfs/dbraw/zinc/75/87/09/385758709.db2.gz NHGJLPSHPOPWAZ-NDMJEZRESA-N 0 3 238.400 3.322 20 0 BGADHN CC[C@](C)(NC[C@H]1C[C@H]1C)c1nc(C)cs1 ZINC000336737321 385759335 /nfs/dbraw/zinc/75/93/35/385759335.db2.gz NHGJLPSHPOPWAZ-XWIASGKRSA-N 0 3 238.400 3.322 20 0 BGADHN Cc1ccoc1CN[C@H](C)CCC(F)(F)F ZINC000336737456 385771128 /nfs/dbraw/zinc/77/11/28/385771128.db2.gz JKLTWRYAWBUKGY-SECBINFHSA-N 0 3 235.249 3.409 20 0 BGADHN Cc1ccoc1CN[C@@H](C)CCC(F)(F)F ZINC000336737459 385767209 /nfs/dbraw/zinc/76/72/09/385767209.db2.gz JKLTWRYAWBUKGY-VIFPVBQESA-N 0 3 235.249 3.409 20 0 BGADHN Cc1csc(CN[C@@H]2CC[C@H]2C(C)(C)C)n1 ZINC000336737753 385818988 /nfs/dbraw/zinc/81/89/88/385818988.db2.gz NVVWNCRWPKUVNR-GHMZBOCLSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1csc(CN[C@H]2CC[C@H]2C(C)(C)C)n1 ZINC000336737754 385819939 /nfs/dbraw/zinc/81/99/39/385819939.db2.gz NVVWNCRWPKUVNR-MNOVXSKESA-N 0 3 238.400 3.366 20 0 BGADHN Cc1csc(CN[C@H]2CC[C@@H]2C(C)(C)C)n1 ZINC000336737755 385819368 /nfs/dbraw/zinc/81/93/68/385819368.db2.gz NVVWNCRWPKUVNR-QWRGUYRKSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1csc(CN[C@@H]2CC[C@@H]2C(C)(C)C)n1 ZINC000336737756 188168167 /nfs/dbraw/zinc/16/81/67/188168167.db2.gz NVVWNCRWPKUVNR-WDEREUQCSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1cc([C@@H](C)N[C@@H]2CSC2(C)C)c(C)o1 ZINC000336737797 178230649 /nfs/dbraw/zinc/23/06/49/178230649.db2.gz JRVZDAYXYQJOKC-BXKDBHETSA-N 0 3 239.384 3.441 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2CSC2(C)C)c(C)o1 ZINC000336737798 178259709 /nfs/dbraw/zinc/25/97/09/178259709.db2.gz JRVZDAYXYQJOKC-CABZTGNLSA-N 0 3 239.384 3.441 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CSC2(C)C)c(C)o1 ZINC000336737799 178256476 /nfs/dbraw/zinc/25/64/76/178256476.db2.gz JRVZDAYXYQJOKC-JOYOIKCWSA-N 0 3 239.384 3.441 20 0 BGADHN Cc1cc([C@@H](C)N[C@H]2CSC2(C)C)c(C)o1 ZINC000336737800 178232831 /nfs/dbraw/zinc/23/28/31/178232831.db2.gz JRVZDAYXYQJOKC-SKDRFNHKSA-N 0 3 239.384 3.441 20 0 BGADHN C[C@@H](N[C@@H]1CSC1(C)C)c1cccc(F)c1 ZINC000336737815 385824707 /nfs/dbraw/zinc/82/47/07/385824707.db2.gz JSKKTOVVQNFFEA-BXKDBHETSA-N 0 3 239.359 3.370 20 0 BGADHN C[C@H](N[C@H]1CSC1(C)C)c1cccc(F)c1 ZINC000336737816 385824101 /nfs/dbraw/zinc/82/41/01/385824101.db2.gz JSKKTOVVQNFFEA-CABZTGNLSA-N 0 3 239.359 3.370 20 0 BGADHN C[C@H](N[C@@H]1CSC1(C)C)c1cccc(F)c1 ZINC000336737817 385824461 /nfs/dbraw/zinc/82/44/61/385824461.db2.gz JSKKTOVVQNFFEA-JOYOIKCWSA-N 0 3 239.359 3.370 20 0 BGADHN C[C@@H](N[C@H]1CSC1(C)C)c1cccc(F)c1 ZINC000336737818 385824885 /nfs/dbraw/zinc/82/48/85/385824885.db2.gz JSKKTOVVQNFFEA-SKDRFNHKSA-N 0 3 239.359 3.370 20 0 BGADHN C[C@@H](F)CCN[C@@H](C)c1ccc(F)cc1F ZINC000336738129 385827029 /nfs/dbraw/zinc/82/70/29/385827029.db2.gz KBEYVXJWSOGTKH-BDAKNGLRSA-N 0 3 231.261 3.364 20 0 BGADHN C[C@H](F)CCN[C@@H](C)c1ccc(F)cc1F ZINC000336738130 385827057 /nfs/dbraw/zinc/82/70/57/385827057.db2.gz KBEYVXJWSOGTKH-IUCAKERBSA-N 0 3 231.261 3.364 20 0 BGADHN C[C@@H]1C[C@@H]1CNC1(c2nccs2)CCCC1 ZINC000336738687 176395528 /nfs/dbraw/zinc/39/55/28/176395528.db2.gz KNLPZZRIIAJJIQ-GHMZBOCLSA-N 0 3 236.384 3.158 20 0 BGADHN C[C@@H]1C[C@H]1CNC1(c2nccs2)CCCC1 ZINC000336738702 386188993 /nfs/dbraw/zinc/18/89/93/386188993.db2.gz KNLPZZRIIAJJIQ-MNOVXSKESA-N 0 3 236.384 3.158 20 0 BGADHN C[C@H]1C[C@H]1CNC1(c2nccs2)CCCC1 ZINC000336738705 177381424 /nfs/dbraw/zinc/38/14/24/177381424.db2.gz KNLPZZRIIAJJIQ-QWRGUYRKSA-N 0 3 236.384 3.158 20 0 BGADHN C[C@H]1C[C@@H]1CNC1(c2nccs2)CCCC1 ZINC000336738708 177344801 /nfs/dbraw/zinc/34/48/01/177344801.db2.gz KNLPZZRIIAJJIQ-WDEREUQCSA-N 0 3 236.384 3.158 20 0 BGADHN CC1CCC(C)(CNCc2cscn2)CC1 ZINC000336738849 168150652 /nfs/dbraw/zinc/15/06/52/168150652.db2.gz KPURCISLJUXORL-UHFFFAOYSA-N 0 3 238.400 3.449 20 0 BGADHN C[C@H](F)CCNC1(c2cccc(F)c2)CC1 ZINC000336738991 386668381 /nfs/dbraw/zinc/66/83/81/386668381.db2.gz KTTBZDIFRZTRKO-JTQLQIEISA-N 0 3 225.282 3.153 20 0 BGADHN C[C@@H](F)CCNC1(c2cccc(F)c2)CC1 ZINC000336738993 386668907 /nfs/dbraw/zinc/66/89/07/386668907.db2.gz KTTBZDIFRZTRKO-SNVBAGLBSA-N 0 3 225.282 3.153 20 0 BGADHN CC[C@@H]1CC[C@H]1NCc1nc(C)c(C)s1 ZINC000336739150 171059244 /nfs/dbraw/zinc/05/92/44/171059244.db2.gz SDAPSJZSYURFRX-GHMZBOCLSA-N 0 3 224.373 3.038 20 0 BGADHN CC[C@@H]1CC[C@@H]1NCc1nc(C)c(C)s1 ZINC000336739152 171043577 /nfs/dbraw/zinc/04/35/77/171043577.db2.gz SDAPSJZSYURFRX-MNOVXSKESA-N 0 3 224.373 3.038 20 0 BGADHN CC[C@H]1CC[C@@H]1NCc1nc(C)c(C)s1 ZINC000336739153 171643916 /nfs/dbraw/zinc/64/39/16/171643916.db2.gz SDAPSJZSYURFRX-QWRGUYRKSA-N 0 3 224.373 3.038 20 0 BGADHN CC[C@H]1CC[C@H]1NCc1nc(C)c(C)s1 ZINC000336739154 386875402 /nfs/dbraw/zinc/87/54/02/386875402.db2.gz SDAPSJZSYURFRX-WDEREUQCSA-N 0 3 224.373 3.038 20 0 BGADHN CC[C@@H]1CC[C@H](C)C[C@H]1NCc1cscn1 ZINC000336739325 171050181 /nfs/dbraw/zinc/05/01/81/171050181.db2.gz OZMAJHLDRMHABO-DMDPSCGWSA-N 0 3 238.400 3.448 20 0 BGADHN CC[C@@H]1CC[C@H](C)C[C@@H]1NCc1cscn1 ZINC000336739326 171050469 /nfs/dbraw/zinc/05/04/69/171050469.db2.gz OZMAJHLDRMHABO-LOWVWBTDSA-N 0 3 238.400 3.448 20 0 BGADHN CC[C@@H]1CC[C@@H](C)C[C@H]1NCc1cscn1 ZINC000336739327 171032921 /nfs/dbraw/zinc/03/29/21/171032921.db2.gz OZMAJHLDRMHABO-NQBHXWOUSA-N 0 3 238.400 3.448 20 0 BGADHN CC[C@@H]1CC[C@@H](C)C[C@@H]1NCc1cscn1 ZINC000336739328 171032222 /nfs/dbraw/zinc/03/22/22/171032222.db2.gz OZMAJHLDRMHABO-WZRBSPASSA-N 0 3 238.400 3.448 20 0 BGADHN C[C@@H](NCCCCC(C)(C)C)c1ncc[nH]1 ZINC000336739512 537837560 /nfs/dbraw/zinc/83/75/60/537837560.db2.gz LJMJFFNHLGCFOI-LLVKDONJSA-N 0 3 223.364 3.277 20 0 BGADHN C[C@H](NCCCCC(C)(C)C)c1ncc[nH]1 ZINC000336739513 537838496 /nfs/dbraw/zinc/83/84/96/537838496.db2.gz LJMJFFNHLGCFOI-NSHDSACASA-N 0 3 223.364 3.277 20 0 BGADHN CCc1nc(C)c(CNCC(CC)CC)o1 ZINC000336739524 352361922 /nfs/dbraw/zinc/36/19/22/352361922.db2.gz PGIMZNCPAZCZTI-UHFFFAOYSA-N 0 3 224.348 3.071 20 0 BGADHN CC[C@@H]1CCC[C@H]1N[C@H](C)c1nnc(C)s1 ZINC000336739671 171003433 /nfs/dbraw/zinc/00/34/33/171003433.db2.gz PIWYLFJNJJDKJB-FBIMIBRVSA-N 0 3 239.388 3.076 20 0 BGADHN CC[C@@H]1CCC[C@@H]1N[C@@H](C)c1nnc(C)s1 ZINC000336739672 170992674 /nfs/dbraw/zinc/99/26/74/170992674.db2.gz PIWYLFJNJJDKJB-GDPRMGEGSA-N 0 3 239.388 3.076 20 0 BGADHN CC[C@@H]1CCC[C@@H]1N[C@H](C)c1nnc(C)s1 ZINC000336739673 352363161 /nfs/dbraw/zinc/36/31/61/352363161.db2.gz PIWYLFJNJJDKJB-IEBDPFPHSA-N 0 3 239.388 3.076 20 0 BGADHN CC[C@@H]1CCC[C@H]1N[C@@H](C)c1nnc(C)s1 ZINC000336739674 171003362 /nfs/dbraw/zinc/00/33/62/171003362.db2.gz PIWYLFJNJJDKJB-JMJZKYOTSA-N 0 3 239.388 3.076 20 0 BGADHN FC(F)(F)C1(CNCc2cccs2)CC1 ZINC000336739687 386894531 /nfs/dbraw/zinc/89/45/31/386894531.db2.gz SRYHXPOSKOHARD-UHFFFAOYSA-N 0 3 235.274 3.180 20 0 BGADHN CCC(CC)(CO)NCc1ccsc1Cl ZINC000336739878 168329915 /nfs/dbraw/zinc/32/99/15/168329915.db2.gz SXDQQFHNYOTSQC-UHFFFAOYSA-N 0 3 247.791 3.042 20 0 BGADHN C[C@@H](NC1C[C@H](C)C[C@@H](C)C1)c1ccon1 ZINC000336739941 177066064 /nfs/dbraw/zinc/06/60/64/177066064.db2.gz LVSWZXLJBATPAD-GMTAPVOTSA-N 0 3 222.332 3.150 20 0 BGADHN C[C@@H](N[C@H]1C[C@H](C)C[C@H](C)C1)c1ccon1 ZINC000336739942 177318808 /nfs/dbraw/zinc/31/88/08/177318808.db2.gz LVSWZXLJBATPAD-KXNHARMFSA-N 0 3 222.332 3.150 20 0 BGADHN C[C@H](NC1C[C@H](C)C[C@@H](C)C1)c1ccon1 ZINC000336739943 385776895 /nfs/dbraw/zinc/77/68/95/385776895.db2.gz LVSWZXLJBATPAD-MXWKQRLJSA-N 0 3 222.332 3.150 20 0 BGADHN C[C@H](N[C@H]1C[C@H](C)C[C@H](C)C1)c1ccon1 ZINC000336739944 177318370 /nfs/dbraw/zinc/31/83/70/177318370.db2.gz LVSWZXLJBATPAD-WHOHXGKFSA-N 0 3 222.332 3.150 20 0 BGADHN CCC1(CN[C@H](C)c2cc(C)on2)CCC1 ZINC000336740094 398121272 /nfs/dbraw/zinc/12/12/72/398121272.db2.gz PTFVKXWBKNLZMC-LLVKDONJSA-N 0 3 222.332 3.214 20 0 BGADHN CCC1(CN[C@@H](C)c2cc(C)on2)CCC1 ZINC000336740095 398121289 /nfs/dbraw/zinc/12/12/89/398121289.db2.gz PTFVKXWBKNLZMC-NSHDSACASA-N 0 3 222.332 3.214 20 0 BGADHN CC[C@@H]1CC[C@H]1NCc1cc(F)ccc1F ZINC000336740379 171059513 /nfs/dbraw/zinc/05/95/13/171059513.db2.gz QDVCTGOTDBSWNG-NOZJJQNGSA-N 0 3 225.282 3.243 20 0 BGADHN CC[C@@H]1CC[C@@H]1NCc1cc(F)ccc1F ZINC000336740380 171044170 /nfs/dbraw/zinc/04/41/70/171044170.db2.gz QDVCTGOTDBSWNG-RNCFNFMXSA-N 0 3 225.282 3.243 20 0 BGADHN CC[C@H]1CC[C@H]1NCc1cc(F)ccc1F ZINC000336740381 385810173 /nfs/dbraw/zinc/81/01/73/385810173.db2.gz QDVCTGOTDBSWNG-TVQRCGJNSA-N 0 3 225.282 3.243 20 0 BGADHN CS[C@H](CNCc1ccco1)C(C)(C)C ZINC000336740684 487774325 /nfs/dbraw/zinc/77/43/25/487774325.db2.gz USPIJNDGKZBCCB-LLVKDONJSA-N 0 3 227.373 3.147 20 0 BGADHN CS[C@@H](CNCc1ccco1)C(C)(C)C ZINC000336740685 487774711 /nfs/dbraw/zinc/77/47/11/487774711.db2.gz USPIJNDGKZBCCB-NSHDSACASA-N 0 3 227.373 3.147 20 0 BGADHN C[C@H](NC[C@@H]1CCC[C@@H](C)C1)c1ccon1 ZINC000336740841 398126414 /nfs/dbraw/zinc/12/64/14/398126414.db2.gz MOPTUYHIAYPJQE-GRYCIOLGSA-N 0 3 222.332 3.152 20 0 BGADHN C[C@@H](NC[C@@H]1CCC[C@@H](C)C1)c1ccon1 ZINC000336740842 176119416 /nfs/dbraw/zinc/11/94/16/176119416.db2.gz MOPTUYHIAYPJQE-IJLUTSLNSA-N 0 3 222.332 3.152 20 0 BGADHN C[C@@H](NC[C@H]1CCC[C@@H](C)C1)c1ccon1 ZINC000336740843 176139948 /nfs/dbraw/zinc/13/99/48/176139948.db2.gz MOPTUYHIAYPJQE-UTUOFQBUSA-N 0 3 222.332 3.152 20 0 BGADHN C[C@H](NC[C@H]1CCC[C@@H](C)C1)c1ccon1 ZINC000336740844 398126407 /nfs/dbraw/zinc/12/64/07/398126407.db2.gz MOPTUYHIAYPJQE-WOPDTQHZSA-N 0 3 222.332 3.152 20 0 BGADHN CCC1CC(N[C@H](C)c2ccncc2F)C1 ZINC000336741191 385852156 /nfs/dbraw/zinc/85/21/56/385852156.db2.gz QVKZXTZPNVHEBG-KPPDAEKUSA-N 0 3 222.307 3.060 20 0 BGADHN CCC1CC(N[C@@H](C)c2ccncc2F)C1 ZINC000336741192 398126107 /nfs/dbraw/zinc/12/61/07/398126107.db2.gz QVKZXTZPNVHEBG-WHXUTIOJSA-N 0 3 222.307 3.060 20 0 BGADHN CCCCCNC(C)(C)c1c(C)noc1C ZINC000336741685 385866652 /nfs/dbraw/zinc/86/66/52/385866652.db2.gz RHORZBPHUGMMFZ-UHFFFAOYSA-N 0 3 224.348 3.306 20 0 BGADHN CC[C@H](CC(F)(F)F)NCc1occc1C ZINC000336741712 385907597 /nfs/dbraw/zinc/90/75/97/385907597.db2.gz RICPLHNHGFEAJZ-SECBINFHSA-N 0 3 235.249 3.409 20 0 BGADHN CC[C@@H](CC(F)(F)F)NCc1occc1C ZINC000336741714 385738264 /nfs/dbraw/zinc/73/82/64/385738264.db2.gz RICPLHNHGFEAJZ-VIFPVBQESA-N 0 3 235.249 3.409 20 0 BGADHN Cc1csc(CN[C@@H]2CC3CCC2CC3)n1 ZINC000336741725 188345940 /nfs/dbraw/zinc/34/59/40/188345940.db2.gz RIVSHWAOQOHJDO-HTAVTVPLSA-N 0 3 236.384 3.120 20 0 BGADHN Cc1csc(CN[C@H]2CC3CCC2CC3)n1 ZINC000336741737 385907729 /nfs/dbraw/zinc/90/77/29/385907729.db2.gz RIVSHWAOQOHJDO-MCIGGMRASA-N 0 3 236.384 3.120 20 0 BGADHN CC[C@@H]1CC[C@@H]1Nc1cc(C)cc(C)n1 ZINC000336741793 171045874 /nfs/dbraw/zinc/04/58/74/171045874.db2.gz WCSVVXFOJGJSED-NEPJUHHUSA-N 0 3 204.317 3.299 20 0 BGADHN CC[C@H]1CC[C@H]1Nc1cc(C)cc(C)n1 ZINC000336741795 385909862 /nfs/dbraw/zinc/90/98/62/385909862.db2.gz WCSVVXFOJGJSED-NWDGAFQWSA-N 0 3 204.317 3.299 20 0 BGADHN CC[C@H]1CC[C@@H]1Nc1cc(C)cc(C)n1 ZINC000336741796 385909651 /nfs/dbraw/zinc/90/96/51/385909651.db2.gz WCSVVXFOJGJSED-RYUDHWBXSA-N 0 3 204.317 3.299 20 0 BGADHN CC[C@@H]1CC[C@H]1Nc1cc(C)cc(C)n1 ZINC000336741797 171061138 /nfs/dbraw/zinc/06/11/38/171061138.db2.gz WCSVVXFOJGJSED-VXGBXAGGSA-N 0 3 204.317 3.299 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CSC[C@@H]2C)oc1C ZINC000336741891 178254874 /nfs/dbraw/zinc/25/48/74/178254874.db2.gz NQNZRMZUWSJXHU-JBLDHEPKSA-N 0 3 239.384 3.299 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CSC[C@H]2C)oc1C ZINC000336741892 178255566 /nfs/dbraw/zinc/25/55/66/178255566.db2.gz NQNZRMZUWSJXHU-JFGNBEQYSA-N 0 3 239.384 3.299 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2CSC[C@@H]2C)oc1C ZINC000336741893 178260289 /nfs/dbraw/zinc/26/02/89/178260289.db2.gz NQNZRMZUWSJXHU-NHCYSSNCSA-N 0 3 239.384 3.299 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2CSC[C@H]2C)oc1C ZINC000336741894 178259545 /nfs/dbraw/zinc/25/95/45/178259545.db2.gz NQNZRMZUWSJXHU-SCVCMEIPSA-N 0 3 239.384 3.299 20 0 BGADHN C[C@H](CCc1ccsc1)NCc1ccoc1 ZINC000336741961 385916907 /nfs/dbraw/zinc/91/69/07/385916907.db2.gz NTNJWOGGLZTZAH-LLVKDONJSA-N 0 3 235.352 3.452 20 0 BGADHN C[C@@H](CCc1ccsc1)NCc1ccoc1 ZINC000336741966 385917148 /nfs/dbraw/zinc/91/71/48/385917148.db2.gz NTNJWOGGLZTZAH-NSHDSACASA-N 0 3 235.352 3.452 20 0 BGADHN CCC(CC)(CC)CNCc1cc(C)on1 ZINC000336742068 168316374 /nfs/dbraw/zinc/31/63/74/168316374.db2.gz RSDIOIQJWFLNBZ-UHFFFAOYSA-N 0 3 224.348 3.289 20 0 BGADHN Cc1ccc(C)c(CNC(C)(C)CF)c1 ZINC000336742172 385913261 /nfs/dbraw/zinc/91/32/61/385913261.db2.gz WPNBBTCQEPCNLE-UHFFFAOYSA-N 0 3 209.308 3.141 20 0 BGADHN C[C@H](NCC1CCCC1)c1ccncc1F ZINC000336742235 385954294 /nfs/dbraw/zinc/95/42/94/385954294.db2.gz NZUYBFMITUMQGF-JTQLQIEISA-N 0 3 222.307 3.062 20 0 BGADHN C[C@@H](NCC1CCCC1)c1ccncc1F ZINC000336742236 175869658 /nfs/dbraw/zinc/86/96/58/175869658.db2.gz NZUYBFMITUMQGF-SNVBAGLBSA-N 0 3 222.307 3.062 20 0 BGADHN CCc1noc(C)c1CN[C@H](C)[C@H](C)CC ZINC000336742361 172079542 /nfs/dbraw/zinc/07/95/42/172079542.db2.gz RWPOQAHSABEMFO-NXEZZACHSA-N 0 3 224.348 3.070 20 0 BGADHN CCc1noc(C)c1CN[C@@H](C)[C@@H](C)CC ZINC000336742362 172078615 /nfs/dbraw/zinc/07/86/15/172078615.db2.gz RWPOQAHSABEMFO-UWVGGRQHSA-N 0 3 224.348 3.070 20 0 BGADHN CCc1noc(C)c1CN[C@H](C)[C@@H](C)CC ZINC000336742363 172079706 /nfs/dbraw/zinc/07/97/06/172079706.db2.gz RWPOQAHSABEMFO-VHSXEESVSA-N 0 3 224.348 3.070 20 0 BGADHN CCc1noc(C)c1CN[C@@H](C)[C@H](C)CC ZINC000336742364 172079229 /nfs/dbraw/zinc/07/92/29/172079229.db2.gz RWPOQAHSABEMFO-ZJUUUORDSA-N 0 3 224.348 3.070 20 0 BGADHN CCC[C@@H](CC)N[C@H](C)c1ccncc1F ZINC000336742680 169380142 /nfs/dbraw/zinc/38/01/42/169380142.db2.gz SEEZAPNHVTXFJY-GHMZBOCLSA-N 0 3 224.323 3.450 20 0 BGADHN CCC[C@H](CC)N[C@H](C)c1ccncc1F ZINC000336742681 187999319 /nfs/dbraw/zinc/99/93/19/187999319.db2.gz SEEZAPNHVTXFJY-MNOVXSKESA-N 0 3 224.323 3.450 20 0 BGADHN CCC[C@H](CC)N[C@@H](C)c1ccncc1F ZINC000336742682 386205793 /nfs/dbraw/zinc/20/57/93/386205793.db2.gz SEEZAPNHVTXFJY-QWRGUYRKSA-N 0 3 224.323 3.450 20 0 BGADHN CCC[C@@H](CC)N[C@@H](C)c1ccncc1F ZINC000336742683 169379853 /nfs/dbraw/zinc/37/98/53/169379853.db2.gz SEEZAPNHVTXFJY-WDEREUQCSA-N 0 3 224.323 3.450 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2CC[C@H](F)C2)oc1C ZINC000336743231 178260255 /nfs/dbraw/zinc/26/02/55/178260255.db2.gz OUZPNSIGOBDLMI-DLOVCJGASA-N 0 3 225.307 3.438 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CC[C@@H](F)C2)oc1C ZINC000336743232 178255189 /nfs/dbraw/zinc/25/51/89/178255189.db2.gz OUZPNSIGOBDLMI-MVWJERBFSA-N 0 3 225.307 3.438 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2CC[C@@H](F)C2)oc1C ZINC000336743233 178258797 /nfs/dbraw/zinc/25/87/97/178258797.db2.gz OUZPNSIGOBDLMI-WCQGTBRESA-N 0 3 225.307 3.438 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CC[C@H](F)C2)oc1C ZINC000336743234 178255245 /nfs/dbraw/zinc/25/52/45/178255245.db2.gz OUZPNSIGOBDLMI-ZMLRMANQSA-N 0 3 225.307 3.438 20 0 BGADHN CCC[C@H](N[C@@H](C)CSC)c1ccccn1 ZINC000336743367 386371545 /nfs/dbraw/zinc/37/15/45/386371545.db2.gz UBAXHMQOPNNQAN-AAEUAGOBSA-N 0 3 238.400 3.264 20 0 BGADHN CCC[C@@H](N[C@H](C)CSC)c1ccccn1 ZINC000336743368 386369604 /nfs/dbraw/zinc/36/96/04/386369604.db2.gz UBAXHMQOPNNQAN-DGCLKSJQSA-N 0 3 238.400 3.264 20 0 BGADHN CCC[C@@H](N[C@@H](C)CSC)c1ccccn1 ZINC000336743569 386432897 /nfs/dbraw/zinc/43/28/97/386432897.db2.gz UBAXHMQOPNNQAN-WCQYABFASA-N 0 3 238.400 3.264 20 0 BGADHN CCC[C@H](N[C@H](C)CSC)c1ccccn1 ZINC000336743570 386431592 /nfs/dbraw/zinc/43/15/92/386431592.db2.gz UBAXHMQOPNNQAN-YPMHNXCESA-N 0 3 238.400 3.264 20 0 BGADHN CC[C@@H](C)NCc1c(F)cccc1SC ZINC000336743593 187310318 /nfs/dbraw/zinc/31/03/18/187310318.db2.gz YHNWFUZSTCOUPT-SECBINFHSA-N 0 3 227.348 3.436 20 0 BGADHN CC[C@H](C)NCc1c(F)cccc1SC ZINC000336743613 171342100 /nfs/dbraw/zinc/34/21/00/171342100.db2.gz YHNWFUZSTCOUPT-VIFPVBQESA-N 0 3 227.348 3.436 20 0 BGADHN CCC[C@@H](C)N[C@@H]1COc2ccc(F)cc21 ZINC000336743639 169371857 /nfs/dbraw/zinc/37/18/57/169371857.db2.gz UBSMZDXDFHBLAP-BXKDBHETSA-N 0 3 223.291 3.037 20 0 BGADHN CCC[C@H](C)N[C@H]1COc2ccc(F)cc21 ZINC000336743640 386429390 /nfs/dbraw/zinc/42/93/90/386429390.db2.gz UBSMZDXDFHBLAP-CABZTGNLSA-N 0 3 223.291 3.037 20 0 BGADHN CCC[C@H](C)N[C@@H]1COc2ccc(F)cc21 ZINC000336743641 386429709 /nfs/dbraw/zinc/42/97/09/386429709.db2.gz UBSMZDXDFHBLAP-JOYOIKCWSA-N 0 3 223.291 3.037 20 0 BGADHN CCC[C@@H](C)N[C@H]1COc2ccc(F)cc21 ZINC000336743642 169371452 /nfs/dbraw/zinc/37/14/52/169371452.db2.gz UBSMZDXDFHBLAP-SKDRFNHKSA-N 0 3 223.291 3.037 20 0 BGADHN Cc1ccc(CNCC2(C(F)(F)F)CC2)s1 ZINC000336743744 188345528 /nfs/dbraw/zinc/34/55/28/188345528.db2.gz UFXFCXZLCBMOJT-UHFFFAOYSA-N 0 3 249.301 3.489 20 0 BGADHN Cc1nc2c(s1)[C@H](N[C@@H]1CC1(C)C)CCC2 ZINC000336743996 180073800 /nfs/dbraw/zinc/07/38/00/180073800.db2.gz UIYOIZXLXQVYQE-GHMZBOCLSA-N 0 3 236.384 3.217 20 0 BGADHN Cc1nc2c(s1)[C@H](N[C@H]1CC1(C)C)CCC2 ZINC000336743997 180073665 /nfs/dbraw/zinc/07/36/65/180073665.db2.gz UIYOIZXLXQVYQE-MNOVXSKESA-N 0 3 236.384 3.217 20 0 BGADHN Cc1nc2c(s1)[C@@H](N[C@H]1CC1(C)C)CCC2 ZINC000336743998 180074949 /nfs/dbraw/zinc/07/49/49/180074949.db2.gz UIYOIZXLXQVYQE-QWRGUYRKSA-N 0 3 236.384 3.217 20 0 BGADHN Cc1nc2c(s1)[C@@H](N[C@@H]1CC1(C)C)CCC2 ZINC000336744000 180074418 /nfs/dbraw/zinc/07/44/18/180074418.db2.gz UIYOIZXLXQVYQE-WDEREUQCSA-N 0 3 236.384 3.217 20 0 BGADHN CC[C@@H](NCc1nc(C)c(C)o1)C(C)(C)C ZINC000336744394 352696059 /nfs/dbraw/zinc/69/60/59/352696059.db2.gz UVHYGZICNVOALM-LLVKDONJSA-N 0 3 224.348 3.206 20 0 BGADHN CC[C@H](NCc1nc(C)c(C)o1)C(C)(C)C ZINC000336744398 386855193 /nfs/dbraw/zinc/85/51/93/386855193.db2.gz UVHYGZICNVOALM-NSHDSACASA-N 0 3 224.348 3.206 20 0 BGADHN CC[C@H](NCc1[nH]ncc1C)c1cccs1 ZINC000336744404 386855032 /nfs/dbraw/zinc/85/50/32/386855032.db2.gz UWAPQVMUIJMBFI-JTQLQIEISA-N 0 3 235.356 3.021 20 0 BGADHN CC[C@@H](NCc1[nH]ncc1C)c1cccs1 ZINC000336744405 352695965 /nfs/dbraw/zinc/69/59/65/352695965.db2.gz UWAPQVMUIJMBFI-SNVBAGLBSA-N 0 3 235.356 3.021 20 0 BGADHN Cc1cc([C@H](C)N[C@H](C)CCC2CC2)no1 ZINC000336744565 178255653 /nfs/dbraw/zinc/25/56/53/178255653.db2.gz QFKVDBCHTJBVDC-KOLCDFICSA-N 0 3 222.332 3.212 20 0 BGADHN Cc1cc([C@H](C)N[C@@H](C)CCC2CC2)no1 ZINC000336744566 178252112 /nfs/dbraw/zinc/25/21/12/178252112.db2.gz QFKVDBCHTJBVDC-ONGXEEELSA-N 0 3 222.332 3.212 20 0 BGADHN FC(F)(F)c1cscc1CNC1CCC1 ZINC000336744720 386876548 /nfs/dbraw/zinc/87/65/48/386876548.db2.gz ZVXZMZQBKGFXIR-UHFFFAOYSA-N 0 3 235.274 3.409 20 0 BGADHN FC1(F)CC(CNCc2ccc(Cl)o2)C1 ZINC000336744745 386877332 /nfs/dbraw/zinc/87/73/32/386877332.db2.gz ZWKCAIKNMXOMQT-UHFFFAOYSA-N 0 3 235.661 3.068 20 0 BGADHN C[C@H](N[C@@H]1CC[C@@H]1C)c1ccc(Cl)cn1 ZINC000336745537 386992361 /nfs/dbraw/zinc/99/23/61/386992361.db2.gz BHEMZLRNNRUOLI-ATZCPNFKSA-N 0 3 224.735 3.184 20 0 BGADHN C[C@H](N[C@H]1CC[C@@H]1C)c1ccc(Cl)cn1 ZINC000336745541 386993047 /nfs/dbraw/zinc/99/30/47/386993047.db2.gz BHEMZLRNNRUOLI-QXEWZRGKSA-N 0 3 224.735 3.184 20 0 BGADHN C[C@H](N[C@@H]1CC[C@H]1C)c1ccc(Cl)cn1 ZINC000336745542 387000296 /nfs/dbraw/zinc/00/02/96/387000296.db2.gz BHEMZLRNNRUOLI-WCABBAIRSA-N 0 3 224.735 3.184 20 0 BGADHN C[C@H](N[C@H]1CC[C@H]1C)c1ccc(Cl)cn1 ZINC000336745543 387001095 /nfs/dbraw/zinc/00/10/95/387001095.db2.gz BHEMZLRNNRUOLI-YWVKMMECSA-N 0 3 224.735 3.184 20 0 BGADHN Cc1ccc(CN[C@@H](C)CCC2CC2)o1 ZINC000336745877 387013791 /nfs/dbraw/zinc/01/37/91/387013791.db2.gz BNJJTHBQCJAOEC-JTQLQIEISA-N 0 3 207.317 3.256 20 0 BGADHN Cc1ccc(CN[C@H](C)CCC2CC2)o1 ZINC000336745878 387014108 /nfs/dbraw/zinc/01/41/08/387014108.db2.gz BNJJTHBQCJAOEC-SNVBAGLBSA-N 0 3 207.317 3.256 20 0 BGADHN CCCc1csc(CNC2CCCC2)n1 ZINC000336746233 385928932 /nfs/dbraw/zinc/92/89/32/385928932.db2.gz BBOJVQHAOOZFJD-UHFFFAOYSA-N 0 3 224.373 3.128 20 0 BGADHN Cc1occc1CN[C@@H](C)Cc1cccs1 ZINC000336746500 385948343 /nfs/dbraw/zinc/94/83/43/385948343.db2.gz RJYZULSTFYTEQV-JTQLQIEISA-N 0 3 235.352 3.370 20 0 BGADHN Cc1occc1CN[C@H](C)Cc1cccs1 ZINC000336746503 385946300 /nfs/dbraw/zinc/94/63/00/385946300.db2.gz RJYZULSTFYTEQV-SNVBAGLBSA-N 0 3 235.352 3.370 20 0 BGADHN CC1(CCNCc2cc(F)ccc2F)CC1 ZINC000336746552 168020486 /nfs/dbraw/zinc/02/04/86/168020486.db2.gz RLZSXWVUMPQAHL-UHFFFAOYSA-N 0 3 225.282 3.245 20 0 BGADHN Cc1cc([C@H](C)NC[C@H]2CCC[C@H]2C)no1 ZINC000336746976 178249844 /nfs/dbraw/zinc/24/98/44/178249844.db2.gz RQJJCSQAQVDFAH-ADEWGFFLSA-N 0 3 222.332 3.070 20 0 BGADHN Cc1cc([C@H](C)NC[C@@H]2CCC[C@@H]2C)no1 ZINC000336746983 178250352 /nfs/dbraw/zinc/25/03/52/178250352.db2.gz RQJJCSQAQVDFAH-DLOVCJGASA-N 0 3 222.332 3.070 20 0 BGADHN Cc1cc([C@H](C)NC[C@@H]2CCC[C@H]2C)no1 ZINC000336746988 178250625 /nfs/dbraw/zinc/25/06/25/178250625.db2.gz RQJJCSQAQVDFAH-USWWRNFRSA-N 0 3 222.332 3.070 20 0 BGADHN Cc1cc([C@H](C)NC[C@H]2CCC[C@@H]2C)no1 ZINC000336746990 178249840 /nfs/dbraw/zinc/24/98/40/178249840.db2.gz RQJJCSQAQVDFAH-ZMLRMANQSA-N 0 3 222.332 3.070 20 0 BGADHN CC(C)OCCCNCc1ccsc1Cl ZINC000336747288 167224235 /nfs/dbraw/zinc/22/42/35/167224235.db2.gz CGUIXYMRUSWJIJ-UHFFFAOYSA-N 0 3 247.791 3.306 20 0 BGADHN Cc1cc([C@@H](C)NCC2CCCCC2)no1 ZINC000336747448 178223395 /nfs/dbraw/zinc/22/33/95/178223395.db2.gz SDERUJDUJLAWIW-LLVKDONJSA-N 0 3 222.332 3.214 20 0 BGADHN Cc1cc([C@H](C)NCC2CCCCC2)no1 ZINC000336747449 178246983 /nfs/dbraw/zinc/24/69/83/178246983.db2.gz SDERUJDUJLAWIW-NSHDSACASA-N 0 3 222.332 3.214 20 0 BGADHN Cc1ccc([C@H](C)NC[C@@H](C)C(F)(F)F)o1 ZINC000336747451 178890568 /nfs/dbraw/zinc/89/05/68/178890568.db2.gz SDKUSTSKKLDJQC-APPZFPTMSA-N 0 3 235.249 3.437 20 0 BGADHN Cc1ccc([C@H](C)NC[C@H](C)C(F)(F)F)o1 ZINC000336747465 385978088 /nfs/dbraw/zinc/97/80/88/385978088.db2.gz SDKUSTSKKLDJQC-CBAPKCEASA-N 0 3 235.249 3.437 20 0 BGADHN Cc1ccc([C@@H](C)NC[C@H](C)C(F)(F)F)o1 ZINC000336747466 385979239 /nfs/dbraw/zinc/97/92/39/385979239.db2.gz SDKUSTSKKLDJQC-IONNQARKSA-N 0 3 235.249 3.437 20 0 BGADHN Cc1ccc([C@@H](C)NC[C@@H](C)C(F)(F)F)o1 ZINC000336747467 385979359 /nfs/dbraw/zinc/97/93/59/385979359.db2.gz SDKUSTSKKLDJQC-VXNVDRBHSA-N 0 3 235.249 3.437 20 0 BGADHN CC(C)OC[C@@H](C)NCc1ccc(Cl)cc1 ZINC000336747772 167256287 /nfs/dbraw/zinc/25/62/87/167256287.db2.gz SEANPEIHJZPHFQ-LLVKDONJSA-N 0 3 241.762 3.243 20 0 BGADHN CC(C)OC[C@H](C)NCc1ccc(Cl)cc1 ZINC000336747773 167265066 /nfs/dbraw/zinc/26/50/66/167265066.db2.gz SEANPEIHJZPHFQ-NSHDSACASA-N 0 3 241.762 3.243 20 0 BGADHN CC(C)OC[C@@H](C)NCc1ccc(Cl)s1 ZINC000336747865 167257039 /nfs/dbraw/zinc/25/70/39/167257039.db2.gz CUYDGQZQSISGNI-SECBINFHSA-N 0 3 247.791 3.305 20 0 BGADHN CC(C)OC[C@H](C)NCc1ccc(Cl)s1 ZINC000336747867 167265187 /nfs/dbraw/zinc/26/51/87/167265187.db2.gz CUYDGQZQSISGNI-VIFPVBQESA-N 0 3 247.791 3.305 20 0 BGADHN Cc1cnc(C(C)(C)NCC[C@@H](C)F)s1 ZINC000336747868 398196497 /nfs/dbraw/zinc/19/64/97/398196497.db2.gz CUYKRLGKPKFZBN-MRVPVSSYSA-N 0 3 230.352 3.024 20 0 BGADHN Cc1cnc(C(C)(C)NCC[C@H](C)F)s1 ZINC000336747870 385982301 /nfs/dbraw/zinc/98/23/01/385982301.db2.gz CUYKRLGKPKFZBN-QMMMGPOBSA-N 0 3 230.352 3.024 20 0 BGADHN CC[C@@H]1CC[C@@H]1NCc1nc(C2CC2)cs1 ZINC000336748515 171044239 /nfs/dbraw/zinc/04/42/39/171044239.db2.gz XZRYDEAHLBXQEU-KOLCDFICSA-N 0 3 236.384 3.299 20 0 BGADHN CC[C@@H]1CC[C@H]1NCc1nc(C2CC2)cs1 ZINC000336748516 171059361 /nfs/dbraw/zinc/05/93/61/171059361.db2.gz XZRYDEAHLBXQEU-MWLCHTKSSA-N 0 3 236.384 3.299 20 0 BGADHN CC(C)SCCN[C@@H](C)c1ccncc1F ZINC000336748708 167332443 /nfs/dbraw/zinc/33/24/43/167332443.db2.gz TUAHQQJSHYWSQT-JTQLQIEISA-N 0 3 242.363 3.013 20 0 BGADHN CC(C)SCCN[C@H](C)c1ccncc1F ZINC000336748710 167332945 /nfs/dbraw/zinc/33/29/45/167332945.db2.gz TUAHQQJSHYWSQT-SNVBAGLBSA-N 0 3 242.363 3.013 20 0 BGADHN CC[C@@H](C)NCc1nc(C(C)C)c(C)s1 ZINC000336748796 385988825 /nfs/dbraw/zinc/98/88/25/385988825.db2.gz CVIHDHSAJDFQPM-SECBINFHSA-N 0 3 226.389 3.463 20 0 BGADHN CC[C@H](C)NCc1nc(C(C)C)c(C)s1 ZINC000336748797 171343965 /nfs/dbraw/zinc/34/39/65/171343965.db2.gz CVIHDHSAJDFQPM-VIFPVBQESA-N 0 3 226.389 3.463 20 0 BGADHN Cc1nc(C(C)(C)NCCC2CC2)sc1C ZINC000336748873 385989374 /nfs/dbraw/zinc/98/93/74/385989374.db2.gz YGJSBUPDOQWWOA-UHFFFAOYSA-N 0 3 238.400 3.385 20 0 BGADHN Cc1cccc(CN[C@@H]2CSC2(C)C)c1C ZINC000336748880 179100632 /nfs/dbraw/zinc/10/06/32/179100632.db2.gz YGZICCVUXCQSSF-CYBMUJFWSA-N 0 3 235.396 3.287 20 0 BGADHN Cc1cccc(CN[C@H]2CSC2(C)C)c1C ZINC000336748881 385987473 /nfs/dbraw/zinc/98/74/73/385987473.db2.gz YGZICCVUXCQSSF-ZDUSSCGKSA-N 0 3 235.396 3.287 20 0 BGADHN CC(C)c1ncc(CN[C@H]2CC2(C)C)s1 ZINC000336749115 385994065 /nfs/dbraw/zinc/99/40/65/385994065.db2.gz DWLSOUQSHZDDRV-JTQLQIEISA-N 0 3 224.373 3.155 20 0 BGADHN CC(C)c1ncc(CN[C@@H]2CC2(C)C)s1 ZINC000336749116 385994776 /nfs/dbraw/zinc/99/47/76/385994776.db2.gz DWLSOUQSHZDDRV-SNVBAGLBSA-N 0 3 224.373 3.155 20 0 BGADHN CC(C)c1ncc(CNCC2(C)CC2)s1 ZINC000336749131 385995373 /nfs/dbraw/zinc/99/53/73/385995373.db2.gz DXLWTFUWZISJNK-UHFFFAOYSA-N 0 3 224.373 3.156 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@H]1C)c1ccncc1F ZINC000336749623 385996579 /nfs/dbraw/zinc/99/65/79/385996579.db2.gz UIMGUFGRLWMBGG-GBIKHYSHSA-N 0 3 222.307 3.060 20 0 BGADHN C[C@H](N[C@H]1CCC[C@@H]1C)c1ccncc1F ZINC000336749625 385996077 /nfs/dbraw/zinc/99/60/77/385996077.db2.gz UIMGUFGRLWMBGG-KWBADKCTSA-N 0 3 222.307 3.060 20 0 BGADHN C[C@H](N[C@H]1CCC[C@H]1C)c1ccncc1F ZINC000336749626 384684764 /nfs/dbraw/zinc/68/47/64/384684764.db2.gz UIMGUFGRLWMBGG-NRUUGDAUSA-N 0 3 222.307 3.060 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@@H]1C)c1ccncc1F ZINC000336749638 385997824 /nfs/dbraw/zinc/99/78/24/385997824.db2.gz UIMGUFGRLWMBGG-OUJBWJOFSA-N 0 3 222.307 3.060 20 0 BGADHN Cc1ccc([C@@H](C)NCCC2(C)CC2)o1 ZINC000336750483 411510879 /nfs/dbraw/zinc/51/08/79/411510879.db2.gz FXSZAIWTYNZPDX-LLVKDONJSA-N 0 3 207.317 3.429 20 0 BGADHN Cc1ccc([C@H](C)NCCC2(C)CC2)o1 ZINC000336750486 398201213 /nfs/dbraw/zinc/20/12/13/398201213.db2.gz FXSZAIWTYNZPDX-NSHDSACASA-N 0 3 207.317 3.429 20 0 BGADHN C[C@@H](NCCOCC1CCC1)c1cccs1 ZINC000336750825 411512025 /nfs/dbraw/zinc/51/20/25/411512025.db2.gz UYHYDASHMJSDBK-LLVKDONJSA-N 0 3 239.384 3.215 20 0 BGADHN C[C@H](NCCOCC1CCC1)c1cccs1 ZINC000336750826 411511908 /nfs/dbraw/zinc/51/19/08/411511908.db2.gz UYHYDASHMJSDBK-NSHDSACASA-N 0 3 239.384 3.215 20 0 BGADHN C[C@@H]1CCC[C@H](CNCc2cscn2)[C@H]1C ZINC000336751380 386008839 /nfs/dbraw/zinc/00/88/39/386008839.db2.gz VEIAJWMPPGOZNS-GRYCIOLGSA-N 0 3 238.400 3.305 20 0 BGADHN C[C@@H]1CCC[C@H](CNCc2cscn2)[C@@H]1C ZINC000336751381 176139403 /nfs/dbraw/zinc/13/94/03/176139403.db2.gz VEIAJWMPPGOZNS-IJLUTSLNSA-N 0 3 238.400 3.305 20 0 BGADHN C[C@@H]1CCC[C@@H](CNCc2cscn2)[C@@H]1C ZINC000336751382 176118492 /nfs/dbraw/zinc/11/84/92/176118492.db2.gz VEIAJWMPPGOZNS-UTUOFQBUSA-N 0 3 238.400 3.305 20 0 BGADHN C[C@@H]1CCC[C@@H](CNCc2cscn2)[C@H]1C ZINC000336751383 386008395 /nfs/dbraw/zinc/00/83/95/386008395.db2.gz VEIAJWMPPGOZNS-WOPDTQHZSA-N 0 3 238.400 3.305 20 0 BGADHN Cc1sc(CNC[C@H]2C[C@@H]2C)nc1C(C)C ZINC000336751429 386008529 /nfs/dbraw/zinc/00/85/29/386008529.db2.gz VHWVNAAUMFUCLL-GXSJLCMTSA-N 0 3 238.400 3.321 20 0 BGADHN Cc1sc(CNC[C@@H]2C[C@H]2C)nc1C(C)C ZINC000336751430 384728693 /nfs/dbraw/zinc/72/86/93/384728693.db2.gz VHWVNAAUMFUCLL-KOLCDFICSA-N 0 3 238.400 3.321 20 0 BGADHN Cc1sc(CNC[C@H]2C[C@H]2C)nc1C(C)C ZINC000336751431 386008039 /nfs/dbraw/zinc/00/80/39/386008039.db2.gz VHWVNAAUMFUCLL-MWLCHTKSSA-N 0 3 238.400 3.321 20 0 BGADHN Cc1sc(CNC[C@@H]2C[C@@H]2C)nc1C(C)C ZINC000336751432 386008808 /nfs/dbraw/zinc/00/88/08/386008808.db2.gz VHWVNAAUMFUCLL-ONGXEEELSA-N 0 3 238.400 3.321 20 0 BGADHN CCc1cccc(F)c1CNC[C@H](C)SC ZINC000336751912 386010630 /nfs/dbraw/zinc/01/06/30/386010630.db2.gz CQCLPTUPYHBLSY-JTQLQIEISA-N 0 3 241.375 3.229 20 0 BGADHN CCc1cccc(F)c1CNC[C@@H](C)SC ZINC000336751926 386013522 /nfs/dbraw/zinc/01/35/22/386013522.db2.gz CQCLPTUPYHBLSY-SNVBAGLBSA-N 0 3 241.375 3.229 20 0 BGADHN C[C@H](NC1CCC2(CC2)CC1)c1ccon1 ZINC000336752207 386015321 /nfs/dbraw/zinc/01/53/21/386015321.db2.gz VOTCHGAPXMAFIK-JTQLQIEISA-N 0 3 220.316 3.048 20 0 BGADHN C[C@@H](NC1CCC2(CC2)CC1)c1ccon1 ZINC000336752209 386015286 /nfs/dbraw/zinc/01/52/86/386015286.db2.gz VOTCHGAPXMAFIK-SNVBAGLBSA-N 0 3 220.316 3.048 20 0 BGADHN Cc1cc([C@@H](C)NCC2(C)CCCC2)no1 ZINC000336752502 178223043 /nfs/dbraw/zinc/22/30/43/178223043.db2.gz VTNRDHAXKMYNCF-LLVKDONJSA-N 0 3 222.332 3.214 20 0 BGADHN Cc1cc([C@H](C)NCC2(C)CCCC2)no1 ZINC000336752504 178246896 /nfs/dbraw/zinc/24/68/96/178246896.db2.gz VTNRDHAXKMYNCF-NSHDSACASA-N 0 3 222.332 3.214 20 0 BGADHN Cc1sc(CN[C@H](C)C2CC2)nc1C(C)C ZINC000336752594 180558446 /nfs/dbraw/zinc/55/84/46/180558446.db2.gz VVRXROCGIOIAOG-SECBINFHSA-N 0 3 238.400 3.463 20 0 BGADHN Cc1sc(CN[C@@H](C)C2CC2)nc1C(C)C ZINC000336752596 411513936 /nfs/dbraw/zinc/51/39/36/411513936.db2.gz VVRXROCGIOIAOG-VIFPVBQESA-N 0 3 238.400 3.463 20 0 BGADHN C[C@H](CNCc1ccccc1F)C(F)(F)F ZINC000336752675 411515139 /nfs/dbraw/zinc/51/51/39/411515139.db2.gz VZAQLUDZADEVDM-MRVPVSSYSA-N 0 3 235.224 3.114 20 0 BGADHN CC[C@@H](C)NCc1ccc(OC)cc1Cl ZINC000336752705 411515517 /nfs/dbraw/zinc/51/55/17/411515517.db2.gz GKGHCAIQXKGNBR-SECBINFHSA-N 0 3 227.735 3.237 20 0 BGADHN CC[C@H](C)NCc1ccc(OC)cc1Cl ZINC000336752706 171342852 /nfs/dbraw/zinc/34/28/52/171342852.db2.gz GKGHCAIQXKGNBR-VIFPVBQESA-N 0 3 227.735 3.237 20 0 BGADHN CCC1CC(N[C@@H](C)c2ccc(C)o2)C1 ZINC000336752762 386016593 /nfs/dbraw/zinc/01/65/93/386016593.db2.gz GNWPZHSODVANLB-UNXYVOJBSA-N 0 3 207.317 3.427 20 0 BGADHN CCC1CC(N[C@H](C)c2ccc(C)o2)C1 ZINC000336752766 386016333 /nfs/dbraw/zinc/01/63/33/386016333.db2.gz GNWPZHSODVANLB-VOMCLLRMSA-N 0 3 207.317 3.427 20 0 BGADHN C[C@@H](CNCc1ccccc1F)C(F)(F)F ZINC000336752877 386020924 /nfs/dbraw/zinc/02/09/24/386020924.db2.gz VZAQLUDZADEVDM-QMMMGPOBSA-N 0 3 235.224 3.114 20 0 BGADHN Cc1cnc([C@H](C)N[C@H]2CC[C@H]2C2CC2)s1 ZINC000336753709 537841361 /nfs/dbraw/zinc/84/13/61/537841361.db2.gz WMZHILIZROQSKY-DLOVCJGASA-N 0 3 236.384 3.291 20 0 BGADHN Cc1cnc([C@H](C)N[C@@H]2CC[C@@H]2C2CC2)s1 ZINC000336753710 537840604 /nfs/dbraw/zinc/84/06/04/537840604.db2.gz WMZHILIZROQSKY-MVWJERBFSA-N 0 3 236.384 3.291 20 0 BGADHN Cc1cnc([C@H](C)N[C@H]2CC[C@@H]2C2CC2)s1 ZINC000336753711 537841976 /nfs/dbraw/zinc/84/19/76/537841976.db2.gz WMZHILIZROQSKY-WCQGTBRESA-N 0 3 236.384 3.291 20 0 BGADHN Cc1cnc([C@H](C)N[C@@H]2CC[C@H]2C2CC2)s1 ZINC000336753712 537842038 /nfs/dbraw/zinc/84/20/38/537842038.db2.gz WMZHILIZROQSKY-ZMLRMANQSA-N 0 3 236.384 3.291 20 0 BGADHN COCCC(C)(C)NCc1ccsc1Cl ZINC000336754619 174148504 /nfs/dbraw/zinc/14/85/04/174148504.db2.gz HRQJNTVTNMCAJS-UHFFFAOYSA-N 0 3 247.791 3.306 20 0 BGADHN Cc1sc(CNC2CC(C)C2)nc1C(C)C ZINC000336754831 386525266 /nfs/dbraw/zinc/52/52/66/386525266.db2.gz XHTUQMCXKTYCLF-UHFFFAOYSA-N 0 3 238.400 3.463 20 0 BGADHN Cc1cc(C)nc(N[C@@H]2C[C@@H](C)[C@@H]2C)c1 ZINC000336755409 386538719 /nfs/dbraw/zinc/53/87/19/386538719.db2.gz IVHHCWIYZXXKFG-ADEWGFFLSA-N 0 3 204.317 3.155 20 0 BGADHN Cc1cc(C)nc(N[C@@H]2C[C@H](C)[C@H]2C)c1 ZINC000336755412 386537921 /nfs/dbraw/zinc/53/79/21/386537921.db2.gz IVHHCWIYZXXKFG-MVWJERBFSA-N 0 3 204.317 3.155 20 0 BGADHN Cc1cc(C)nc(N[C@@H]2C[C@@H](C)[C@H]2C)c1 ZINC000336755413 386538930 /nfs/dbraw/zinc/53/89/30/386538930.db2.gz IVHHCWIYZXXKFG-YUSALJHKSA-N 0 3 204.317 3.155 20 0 BGADHN Cc1cc(C)nc(N[C@@H]2C[C@H](C)[C@@H]2C)c1 ZINC000336755414 386537404 /nfs/dbraw/zinc/53/74/04/386537404.db2.gz IVHHCWIYZXXKFG-ZMLRMANQSA-N 0 3 204.317 3.155 20 0 BGADHN CC1(C)C[C@H]1CNCc1csc(C2CC2)n1 ZINC000336755691 188171329 /nfs/dbraw/zinc/17/13/29/188171329.db2.gz XWGBPOVHHJQPDG-JTQLQIEISA-N 0 3 236.384 3.156 20 0 BGADHN CC1(C)C[C@@H]1CNCc1csc(C2CC2)n1 ZINC000336755693 353149337 /nfs/dbraw/zinc/14/93/37/353149337.db2.gz XWGBPOVHHJQPDG-SNVBAGLBSA-N 0 3 236.384 3.156 20 0 BGADHN CCNCc1c(Cl)cc(Cl)cc1N(C)C ZINC000336755702 170124606 /nfs/dbraw/zinc/12/46/06/170124606.db2.gz IDVWXHHKUZWRME-UHFFFAOYSA-N 0 3 247.169 3.169 20 0 BGADHN C[C@@H]1CCc2c(F)cccc2[C@@H]1NCCF ZINC000336756235 176239632 /nfs/dbraw/zinc/23/96/32/176239632.db2.gz YKPLSZIBTPFRGE-NOZJJQNGSA-N 0 3 225.282 3.008 20 0 BGADHN C[C@@H]1CCc2c(F)cccc2[C@H]1NCCF ZINC000336756237 176239016 /nfs/dbraw/zinc/23/90/16/176239016.db2.gz YKPLSZIBTPFRGE-RNCFNFMXSA-N 0 3 225.282 3.008 20 0 BGADHN C[C@H]1CCc2c(F)cccc2[C@@H]1NCCF ZINC000336756239 177209342 /nfs/dbraw/zinc/20/93/42/177209342.db2.gz YKPLSZIBTPFRGE-TVQRCGJNSA-N 0 3 225.282 3.008 20 0 BGADHN C[C@H]1CCc2c(F)cccc2[C@H]1NCCF ZINC000336756242 177208961 /nfs/dbraw/zinc/20/89/61/177208961.db2.gz YKPLSZIBTPFRGE-ZANVPECISA-N 0 3 225.282 3.008 20 0 BGADHN CC(C)(C)[C@@H]1CC[C@@H]1NCc1ccco1 ZINC000336756343 187312144 /nfs/dbraw/zinc/31/21/44/187312144.db2.gz JIDCAKWUPOTWQN-NEPJUHHUSA-N 0 3 207.317 3.194 20 0 BGADHN CC(C)(C)[C@H]1CC[C@H]1NCc1ccco1 ZINC000336756359 386564763 /nfs/dbraw/zinc/56/47/63/386564763.db2.gz JIDCAKWUPOTWQN-NWDGAFQWSA-N 0 3 207.317 3.194 20 0 BGADHN CC(C)(C)[C@H]1CC[C@@H]1NCc1ccco1 ZINC000336756363 187484955 /nfs/dbraw/zinc/48/49/55/187484955.db2.gz JIDCAKWUPOTWQN-RYUDHWBXSA-N 0 3 207.317 3.194 20 0 BGADHN CC(C)(C)[C@@H]1CC[C@H]1NCc1ccco1 ZINC000336756364 188347890 /nfs/dbraw/zinc/34/78/90/188347890.db2.gz JIDCAKWUPOTWQN-VXGBXAGGSA-N 0 3 207.317 3.194 20 0 BGADHN Cc1cc([C@H](C)NCCCCF)oc1C ZINC000336756386 178246905 /nfs/dbraw/zinc/24/69/05/178246905.db2.gz JIYWIWKLECOANF-JTQLQIEISA-N 0 3 213.296 3.297 20 0 BGADHN Cc1cc([C@@H](C)NCCCCF)oc1C ZINC000336756387 178223743 /nfs/dbraw/zinc/22/37/43/178223743.db2.gz JIYWIWKLECOANF-SNVBAGLBSA-N 0 3 213.296 3.297 20 0 BGADHN COCC(C)(C)CNCc1ccsc1Cl ZINC000336756613 174075402 /nfs/dbraw/zinc/07/54/02/174075402.db2.gz IUVAHOOFZWDOGY-UHFFFAOYSA-N 0 3 247.791 3.164 20 0 BGADHN CC(C)(C)[C@@H]1CC[C@H]1NCc1nccs1 ZINC000336757206 386599843 /nfs/dbraw/zinc/59/98/43/386599843.db2.gz JWODQTSLVILLCW-NXEZZACHSA-N 0 3 224.373 3.057 20 0 BGADHN CC(C)(C)[C@H]1CC[C@@H]1NCc1nccs1 ZINC000336757208 188347315 /nfs/dbraw/zinc/34/73/15/188347315.db2.gz JWODQTSLVILLCW-UWVGGRQHSA-N 0 3 224.373 3.057 20 0 BGADHN CC(C)(C)[C@H]1CC[C@H]1NCc1nccs1 ZINC000336757209 386600734 /nfs/dbraw/zinc/60/07/34/386600734.db2.gz JWODQTSLVILLCW-VHSXEESVSA-N 0 3 224.373 3.057 20 0 BGADHN CC(C)(C)[C@@H]1CC[C@@H]1NCc1nccs1 ZINC000336757210 384872211 /nfs/dbraw/zinc/87/22/11/384872211.db2.gz JWODQTSLVILLCW-ZJUUUORDSA-N 0 3 224.373 3.057 20 0 BGADHN C[C@@H]1CCCC[C@H]1CCNCc1cncs1 ZINC000336757403 176083320 /nfs/dbraw/zinc/08/33/20/176083320.db2.gz YYUZBJWRADSQFG-NEPJUHHUSA-N 0 3 238.400 3.449 20 0 BGADHN C[C@H]1CCCC[C@@H]1CCNCc1cncs1 ZINC000336757404 177079821 /nfs/dbraw/zinc/07/98/21/177079821.db2.gz YYUZBJWRADSQFG-NWDGAFQWSA-N 0 3 238.400 3.449 20 0 BGADHN C[C@H]1CCCC[C@H]1CCNCc1cncs1 ZINC000336757405 177085236 /nfs/dbraw/zinc/08/52/36/177085236.db2.gz YYUZBJWRADSQFG-RYUDHWBXSA-N 0 3 238.400 3.449 20 0 BGADHN C[C@@H]1CCCC[C@@H]1CCNCc1cncs1 ZINC000336757406 176075156 /nfs/dbraw/zinc/07/51/56/176075156.db2.gz YYUZBJWRADSQFG-VXGBXAGGSA-N 0 3 238.400 3.449 20 0 BGADHN Cc1csc(C2(NCC[C@@H](C)F)CCC2)n1 ZINC000336757407 386586677 /nfs/dbraw/zinc/58/66/77/386586677.db2.gz YYVXRVFUDRKABL-SECBINFHSA-N 0 3 242.363 3.168 20 0 BGADHN Cc1csc(C2(NCC[C@H](C)F)CCC2)n1 ZINC000336757408 386586380 /nfs/dbraw/zinc/58/63/80/386586380.db2.gz YYVXRVFUDRKABL-VIFPVBQESA-N 0 3 242.363 3.168 20 0 BGADHN C[C@@H](N[C@@H]1CC[C@@H](C)C1)c1ccncc1F ZINC000336757532 176213933 /nfs/dbraw/zinc/21/39/33/176213933.db2.gz ZDGSJYLVWQUOQN-GMTAPVOTSA-N 0 3 222.307 3.060 20 0 BGADHN C[C@@H](N[C@H]1CC[C@@H](C)C1)c1ccncc1F ZINC000336757533 176234370 /nfs/dbraw/zinc/23/43/70/176234370.db2.gz ZDGSJYLVWQUOQN-MXWKQRLJSA-N 0 3 222.307 3.060 20 0 BGADHN C[C@H](N[C@@H]1CC[C@@H](C)C1)c1ccncc1F ZINC000336757536 386606401 /nfs/dbraw/zinc/60/64/01/386606401.db2.gz ZDGSJYLVWQUOQN-OUAUKWLOSA-N 0 3 222.307 3.060 20 0 BGADHN C[C@]1(CNCc2ccsc2Cl)CCCO1 ZINC000336757618 386607305 /nfs/dbraw/zinc/60/73/05/386607305.db2.gz KBZOBCCXRXHNSM-LLVKDONJSA-N 0 3 245.775 3.060 20 0 BGADHN C[C@@]1(CNCc2ccsc2Cl)CCCO1 ZINC000336757619 384891715 /nfs/dbraw/zinc/89/17/15/384891715.db2.gz KBZOBCCXRXHNSM-NSHDSACASA-N 0 3 245.775 3.060 20 0 BGADHN CC1(C)SC[C@H]1NCc1cccc(Cl)c1 ZINC000336757744 188001137 /nfs/dbraw/zinc/00/11/37/188001137.db2.gz KGGKGEUZABUESK-LLVKDONJSA-N 0 3 241.787 3.324 20 0 BGADHN CC1(C)SC[C@@H]1NCc1cccc(Cl)c1 ZINC000336757746 188171139 /nfs/dbraw/zinc/17/11/39/188171139.db2.gz KGGKGEUZABUESK-NSHDSACASA-N 0 3 241.787 3.324 20 0 BGADHN C[C@H](N[C@H]1CC[C@@H](C)C1)c1ccncc1F ZINC000336757832 386610778 /nfs/dbraw/zinc/61/07/78/386610778.db2.gz ZDGSJYLVWQUOQN-VWYCJHECSA-N 0 3 222.307 3.060 20 0 BGADHN C[C@@H](NCC1(C(F)(F)F)CC1)c1ccco1 ZINC000336757930 386622195 /nfs/dbraw/zinc/62/21/95/386622195.db2.gz ZIAUWOOMCDQBCI-MRVPVSSYSA-N 0 3 233.233 3.273 20 0 BGADHN C[C@H](NCC1(C(F)(F)F)CC1)c1ccco1 ZINC000336757931 176834310 /nfs/dbraw/zinc/83/43/10/176834310.db2.gz ZIAUWOOMCDQBCI-QMMMGPOBSA-N 0 3 233.233 3.273 20 0 BGADHN Cc1ccc(CN[C@H](C)CCC2CC2)nc1 ZINC000336758337 386632671 /nfs/dbraw/zinc/63/26/71/386632671.db2.gz ZPAAQKNNCSLVKM-GFCCVEGCSA-N 0 3 218.344 3.058 20 0 BGADHN Cc1ccc(CN[C@@H](C)CCC2CC2)nc1 ZINC000336758338 386632693 /nfs/dbraw/zinc/63/26/93/386632693.db2.gz ZPAAQKNNCSLVKM-LBPRGKRZSA-N 0 3 218.344 3.058 20 0 BGADHN C[C@H](NC[C@H]1CCCC[C@H]1C)c1ccon1 ZINC000336758764 386642169 /nfs/dbraw/zinc/64/21/69/386642169.db2.gz ZSGDFGKLNMWOJL-GRYCIOLGSA-N 0 3 222.332 3.152 20 0 BGADHN C[C@H](NC[C@H]1CCCC[C@@H]1C)c1ccon1 ZINC000336758765 386641458 /nfs/dbraw/zinc/64/14/58/386641458.db2.gz ZSGDFGKLNMWOJL-SDDRHHMPSA-N 0 3 222.332 3.152 20 0 BGADHN C[C@H](NC[C@@H]1CCCC[C@@H]1C)c1ccon1 ZINC000336758766 386640755 /nfs/dbraw/zinc/64/07/55/386640755.db2.gz ZSGDFGKLNMWOJL-SRVKXCTJSA-N 0 3 222.332 3.152 20 0 BGADHN C[C@H](NC[C@@H]1CCCC[C@H]1C)c1ccon1 ZINC000336758767 386641446 /nfs/dbraw/zinc/64/14/46/386641446.db2.gz ZSGDFGKLNMWOJL-WOPDTQHZSA-N 0 3 222.332 3.152 20 0 BGADHN CCCc1csc(CNC2(C)CCC2)n1 ZINC000336758806 187824270 /nfs/dbraw/zinc/82/42/70/187824270.db2.gz JYDCWBVRGFOXMD-UHFFFAOYSA-N 0 3 224.373 3.128 20 0 BGADHN CC(C)c1ncc(CN[C@@H]2CC[C@@H]2C)s1 ZINC000336758904 386642973 /nfs/dbraw/zinc/64/29/73/386642973.db2.gz KXIOOJKORIFUSR-GXSJLCMTSA-N 0 3 224.373 3.155 20 0 BGADHN CC(C)c1ncc(CN[C@H]2CC[C@H]2C)s1 ZINC000336758905 386644052 /nfs/dbraw/zinc/64/40/52/386644052.db2.gz KXIOOJKORIFUSR-KOLCDFICSA-N 0 3 224.373 3.155 20 0 BGADHN CC(C)c1ncc(CN[C@@H]2CC[C@H]2C)s1 ZINC000336758906 188001562 /nfs/dbraw/zinc/00/15/62/188001562.db2.gz KXIOOJKORIFUSR-MWLCHTKSSA-N 0 3 224.373 3.155 20 0 BGADHN CC(C)c1ncc(CN[C@H]2CC[C@@H]2C)s1 ZINC000336758907 386643405 /nfs/dbraw/zinc/64/34/05/386643405.db2.gz KXIOOJKORIFUSR-ONGXEEELSA-N 0 3 224.373 3.155 20 0 BGADHN CCCc1csc(CN[C@@H](C)CC2CC2)n1 ZINC000336760329 386712502 /nfs/dbraw/zinc/71/25/02/386712502.db2.gz JPHDJKDJWHGQBC-JTQLQIEISA-N 0 3 238.400 3.374 20 0 BGADHN CCCc1csc(CN[C@H](C)CC2CC2)n1 ZINC000336760330 386712574 /nfs/dbraw/zinc/71/25/74/386712574.db2.gz JPHDJKDJWHGQBC-SNVBAGLBSA-N 0 3 238.400 3.374 20 0 BGADHN Cc1cc([C@H](C)NCC2(C)CC2)oc1C ZINC000336761199 178245636 /nfs/dbraw/zinc/24/56/36/178245636.db2.gz NBLGQLQAZUDTLK-JTQLQIEISA-N 0 3 207.317 3.347 20 0 BGADHN Cc1cc([C@@H](C)NCC2(C)CC2)oc1C ZINC000336761200 178222033 /nfs/dbraw/zinc/22/20/33/178222033.db2.gz NBLGQLQAZUDTLK-SNVBAGLBSA-N 0 3 207.317 3.347 20 0 BGADHN C[C@@H](NCCCCF)c1ccc(Cl)cn1 ZINC000336761859 386786425 /nfs/dbraw/zinc/78/64/25/386786425.db2.gz NRMJZZKCVPAXGZ-SECBINFHSA-N 0 3 230.714 3.135 20 0 BGADHN C[C@H](NCCCCF)c1ccc(Cl)cn1 ZINC000336761860 386786873 /nfs/dbraw/zinc/78/68/73/386786873.db2.gz NRMJZZKCVPAXGZ-VIFPVBQESA-N 0 3 230.714 3.135 20 0 BGADHN CC/C=C\CCNC(C)(C)c1nccs1 ZINC000336761947 386792266 /nfs/dbraw/zinc/79/22/66/386792266.db2.gz NCMRUGDKMNEYRR-WAYWQWQTSA-N 0 3 224.373 3.324 20 0 BGADHN CC[C@H](O)CCCNCc1ccsc1Cl ZINC000336762275 386925316 /nfs/dbraw/zinc/92/53/16/386925316.db2.gz NNUMMPBLEYANFO-JTQLQIEISA-N 0 3 247.791 3.042 20 0 BGADHN CC[C@@H](O)CCCNCc1ccsc1Cl ZINC000336762276 353201284 /nfs/dbraw/zinc/20/12/84/353201284.db2.gz NNUMMPBLEYANFO-SNVBAGLBSA-N 0 3 247.791 3.042 20 0 BGADHN CC(C)c1cnc(CN[C@@H]2CC[C@H]2C)s1 ZINC000336763255 386953838 /nfs/dbraw/zinc/95/38/38/386953838.db2.gz OVCHRAFEZDTWMM-NXEZZACHSA-N 0 3 224.373 3.155 20 0 BGADHN CC(C)c1cnc(CN[C@H]2CC[C@@H]2C)s1 ZINC000336763256 188003216 /nfs/dbraw/zinc/00/32/16/188003216.db2.gz OVCHRAFEZDTWMM-UWVGGRQHSA-N 0 3 224.373 3.155 20 0 BGADHN CC(C)c1cnc(CN[C@@H]2CC[C@@H]2C)s1 ZINC000336763257 386955074 /nfs/dbraw/zinc/95/50/74/386955074.db2.gz OVCHRAFEZDTWMM-VHSXEESVSA-N 0 3 224.373 3.155 20 0 BGADHN CC(C)c1cnc(CN[C@H]2CC[C@H]2C)s1 ZINC000336763258 187313781 /nfs/dbraw/zinc/31/37/81/187313781.db2.gz OVCHRAFEZDTWMM-ZJUUUORDSA-N 0 3 224.373 3.155 20 0 BGADHN C[C@@H](F)CCN[C@H](C)c1ccccc1F ZINC000336763686 387032012 /nfs/dbraw/zinc/03/20/12/387032012.db2.gz PKMBACOVAREQPK-NXEZZACHSA-N 0 3 213.271 3.224 20 0 BGADHN C[C@H](F)CCN[C@@H](C)c1ccccc1F ZINC000336763688 387031988 /nfs/dbraw/zinc/03/19/88/387031988.db2.gz PKMBACOVAREQPK-UWVGGRQHSA-N 0 3 213.271 3.224 20 0 BGADHN C[C@@H](NCC[C@H](C)F)c1ccccc1F ZINC000336763690 387032197 /nfs/dbraw/zinc/03/21/97/387032197.db2.gz PKMBACOVAREQPK-VHSXEESVSA-N 0 3 213.271 3.224 20 0 BGADHN C[C@@H](F)CCN[C@@H](C)c1ccccc1F ZINC000336763693 387032054 /nfs/dbraw/zinc/03/20/54/387032054.db2.gz PKMBACOVAREQPK-ZJUUUORDSA-N 0 3 213.271 3.224 20 0 BGADHN CCC[C@](C)(CO)NCc1ccsc1Cl ZINC000336763752 387033829 /nfs/dbraw/zinc/03/38/29/387033829.db2.gz PETPYOUIVNVXFV-LLVKDONJSA-N 0 3 247.791 3.042 20 0 BGADHN CCC[C@@](C)(CO)NCc1ccsc1Cl ZINC000336763753 387035022 /nfs/dbraw/zinc/03/50/22/387035022.db2.gz PETPYOUIVNVXFV-NSHDSACASA-N 0 3 247.791 3.042 20 0 BGADHN CCc1cnc(CN[C@@H]2CCC23CCC3)s1 ZINC000336765019 353261429 /nfs/dbraw/zinc/26/14/29/353261429.db2.gz NUDWXRNJLQNHQD-LLVKDONJSA-N 0 3 236.384 3.128 20 0 BGADHN CCc1cnc(CN[C@H]2CCC23CCC3)s1 ZINC000336765020 353261417 /nfs/dbraw/zinc/26/14/17/353261417.db2.gz NUDWXRNJLQNHQD-NSHDSACASA-N 0 3 236.384 3.128 20 0 BGADHN CC1(CNCc2ccc(Cl)cn2)CCC1 ZINC000336765756 583575841 /nfs/dbraw/zinc/57/58/41/583575841.db2.gz RMCUWLCAUJVRAU-UHFFFAOYSA-N 0 3 224.735 3.015 20 0 BGADHN CCC1CC(NCc2ccc(Cl)cn2)C1 ZINC000336766223 387104067 /nfs/dbraw/zinc/10/40/67/387104067.db2.gz RMMUTFXHCGVWOV-UHFFFAOYSA-N 0 3 224.735 3.013 20 0 BGADHN COC1(CNCc2ccsc2Cl)CCC1 ZINC000336766459 387109602 /nfs/dbraw/zinc/10/96/02/387109602.db2.gz ROOLPFLEJDQBPX-UHFFFAOYSA-N 0 3 245.775 3.060 20 0 BGADHN CCc1ccc([C@H](C)NCCCCF)o1 ZINC000336766885 386499921 /nfs/dbraw/zinc/49/99/21/386499921.db2.gz SASDGABWVSHPHB-JTQLQIEISA-N 0 3 213.296 3.242 20 0 BGADHN CCc1ccc([C@@H](C)NCCCCF)o1 ZINC000336766886 387126187 /nfs/dbraw/zinc/12/61/87/387126187.db2.gz SASDGABWVSHPHB-SNVBAGLBSA-N 0 3 213.296 3.242 20 0 BGADHN Cc1occc1CN[C@H](C)CC(F)(F)F ZINC000336767770 385929431 /nfs/dbraw/zinc/92/94/31/385929431.db2.gz UBTKOAKWBQLVMO-SSDOTTSWSA-N 0 3 221.222 3.019 20 0 BGADHN Cc1occc1CN[C@@H](C)CC(F)(F)F ZINC000336767771 385929330 /nfs/dbraw/zinc/92/93/30/385929330.db2.gz UBTKOAKWBQLVMO-ZETCQYMHSA-N 0 3 221.222 3.019 20 0 BGADHN COC[C@@H](CC(C)C)NCc1cscc1C ZINC000336767906 385933559 /nfs/dbraw/zinc/93/35/59/385933559.db2.gz QCPAPLVIFSLVDZ-CYBMUJFWSA-N 0 3 241.400 3.207 20 0 BGADHN COC[C@H](CC(C)C)NCc1cscc1C ZINC000336767909 487764272 /nfs/dbraw/zinc/76/42/72/487764272.db2.gz QCPAPLVIFSLVDZ-ZDUSSCGKSA-N 0 3 241.400 3.207 20 0 BGADHN CCc1cnc(CNC2(C)CCCC2)s1 ZINC000336768130 353277659 /nfs/dbraw/zinc/27/76/59/353277659.db2.gz SZYBGOXFHYFNAJ-UHFFFAOYSA-N 0 3 224.373 3.128 20 0 BGADHN CO[C@@H](CNCc1ccsc1Cl)C(C)C ZINC000336768410 385949867 /nfs/dbraw/zinc/94/98/67/385949867.db2.gz UBMMZJQWOXXYRU-JTQLQIEISA-N 0 3 247.791 3.162 20 0 BGADHN CO[C@H](CNCc1ccsc1Cl)C(C)C ZINC000336768411 385949216 /nfs/dbraw/zinc/94/92/16/385949216.db2.gz UBMMZJQWOXXYRU-SNVBAGLBSA-N 0 3 247.791 3.162 20 0 BGADHN CC1(C)SC[C@H]1NCc1ccc(Cl)cc1 ZINC000336768687 188352699 /nfs/dbraw/zinc/35/26/99/188352699.db2.gz UVWDBPCCLYOSMH-LLVKDONJSA-N 0 3 241.787 3.324 20 0 BGADHN CC1(C)SC[C@@H]1NCc1ccc(Cl)cc1 ZINC000336768688 385954727 /nfs/dbraw/zinc/95/47/27/385954727.db2.gz UVWDBPCCLYOSMH-NSHDSACASA-N 0 3 241.787 3.324 20 0 BGADHN CCCC(C)(C)NCc1ncc(CC)s1 ZINC000336768832 385958087 /nfs/dbraw/zinc/95/80/87/385958087.db2.gz UNCWMNDDGXEVRY-UHFFFAOYSA-N 0 3 226.389 3.374 20 0 BGADHN Cc1csc(C(C)(C)NCC[C@@H](C)F)n1 ZINC000336769116 385978095 /nfs/dbraw/zinc/97/80/95/385978095.db2.gz VFPQBLNQZJJMRT-MRVPVSSYSA-N 0 3 230.352 3.024 20 0 BGADHN Cc1csc(C(C)(C)NCC[C@H](C)F)n1 ZINC000336769118 385979581 /nfs/dbraw/zinc/97/95/81/385979581.db2.gz VFPQBLNQZJJMRT-QMMMGPOBSA-N 0 3 230.352 3.024 20 0 BGADHN CCC1CC(N[C@H](C)c2ncc(C)s2)C1 ZINC000336769949 385996927 /nfs/dbraw/zinc/99/69/27/385996927.db2.gz VEYSJSYXRUNKJE-KPPDAEKUSA-N 0 3 224.373 3.291 20 0 BGADHN CCC1CC(N[C@@H](C)c2ncc(C)s2)C1 ZINC000336769950 385996447 /nfs/dbraw/zinc/99/64/47/385996447.db2.gz VEYSJSYXRUNKJE-WHXUTIOJSA-N 0 3 224.373 3.291 20 0 BGADHN CC[C@@H](O)CCCNCc1sccc1Cl ZINC000336770035 353294697 /nfs/dbraw/zinc/29/46/97/353294697.db2.gz VHRQTMDAEZHOKX-SECBINFHSA-N 0 3 247.791 3.042 20 0 BGADHN CC[C@H](O)CCCNCc1sccc1Cl ZINC000336770037 385997701 /nfs/dbraw/zinc/99/77/01/385997701.db2.gz VHRQTMDAEZHOKX-VIFPVBQESA-N 0 3 247.791 3.042 20 0 BGADHN CC(C)c1cnc(CNCCCCF)s1 ZINC000336770743 188006640 /nfs/dbraw/zinc/00/66/40/188006640.db2.gz WXKJKBGITHPCBY-UHFFFAOYSA-N 0 3 230.352 3.106 20 0 BGADHN CCc1cnc(CNC[C@H]2CCC[C@H]2C)s1 ZINC000336771075 347460603 /nfs/dbraw/zinc/46/06/03/347460603.db2.gz UDQJLYQTQISLAH-GHMZBOCLSA-N 0 3 238.400 3.231 20 0 BGADHN CCc1cnc(CNC[C@@H]2CCC[C@H]2C)s1 ZINC000336771076 347460344 /nfs/dbraw/zinc/46/03/44/347460344.db2.gz UDQJLYQTQISLAH-MNOVXSKESA-N 0 3 238.400 3.231 20 0 BGADHN CCc1cnc(CNC[C@@H]2CCC[C@@H]2C)s1 ZINC000336771077 353304846 /nfs/dbraw/zinc/30/48/46/353304846.db2.gz UDQJLYQTQISLAH-QWRGUYRKSA-N 0 3 238.400 3.231 20 0 BGADHN CCc1cnc(CNC[C@H]2CCC[C@@H]2C)s1 ZINC000336771078 347460374 /nfs/dbraw/zinc/46/03/74/347460374.db2.gz UDQJLYQTQISLAH-WDEREUQCSA-N 0 3 238.400 3.231 20 0 BGADHN CCc1ccc([C@@H](C)N[C@@H]2CC2(C)C)o1 ZINC000336771364 386036384 /nfs/dbraw/zinc/03/63/84/386036384.db2.gz WRCXYSZPXDMAAY-BXKDBHETSA-N 0 3 207.317 3.291 20 0 BGADHN CCc1ccc([C@H](C)N[C@H]2CC2(C)C)o1 ZINC000336771365 386037661 /nfs/dbraw/zinc/03/76/61/386037661.db2.gz WRCXYSZPXDMAAY-CABZTGNLSA-N 0 3 207.317 3.291 20 0 BGADHN CCc1ccc([C@H](C)N[C@@H]2CC2(C)C)o1 ZINC000336771367 386035792 /nfs/dbraw/zinc/03/57/92/386035792.db2.gz WRCXYSZPXDMAAY-JOYOIKCWSA-N 0 3 207.317 3.291 20 0 BGADHN CCc1ccc([C@@H](C)N[C@H]2CC2(C)C)o1 ZINC000336771370 386037573 /nfs/dbraw/zinc/03/75/73/386037573.db2.gz WRCXYSZPXDMAAY-SKDRFNHKSA-N 0 3 207.317 3.291 20 0 BGADHN CCCc1csc(CN[C@@H](C)C(C)C)n1 ZINC000336771489 386043584 /nfs/dbraw/zinc/04/35/84/386043584.db2.gz WUQCOKQOBRXOTO-JTQLQIEISA-N 0 3 226.389 3.230 20 0 BGADHN CCCc1csc(CN[C@H](C)C(C)C)n1 ZINC000336771491 386043512 /nfs/dbraw/zinc/04/35/12/386043512.db2.gz WUQCOKQOBRXOTO-SNVBAGLBSA-N 0 3 226.389 3.230 20 0 BGADHN CC(C)(NCc1cc[nH]c1)c1cccs1 ZINC000336773513 188353212 /nfs/dbraw/zinc/35/32/12/188353212.db2.gz YUXPOZSPTIPHNL-UHFFFAOYSA-N 0 3 220.341 3.101 20 0 BGADHN CCCCCN[C@@H](C)c1ccncc1F ZINC000336774338 386338056 /nfs/dbraw/zinc/33/80/56/386338056.db2.gz ZPYVNQJNJTYBBQ-JTQLQIEISA-N 0 3 210.296 3.062 20 0 BGADHN CCCCCN[C@H](C)c1ccncc1F ZINC000336774339 386339207 /nfs/dbraw/zinc/33/92/07/386339207.db2.gz ZPYVNQJNJTYBBQ-SNVBAGLBSA-N 0 3 210.296 3.062 20 0 BGADHN C[C@H](CCC(F)(F)F)NCc1ccco1 ZINC000336774408 323084938 /nfs/dbraw/zinc/08/49/38/323084938.db2.gz ZLSADVLVVCLRHC-MRVPVSSYSA-N 0 3 221.222 3.100 20 0 BGADHN C[C@@H](CCC(F)(F)F)NCc1ccco1 ZINC000336774411 386371063 /nfs/dbraw/zinc/37/10/63/386371063.db2.gz ZLSADVLVVCLRHC-QMMMGPOBSA-N 0 3 221.222 3.100 20 0 BGADHN C[C@H](CCC(F)(F)F)NCc1ccoc1 ZINC000336774781 386366747 /nfs/dbraw/zinc/36/67/47/386366747.db2.gz ZSGIRSZMTJRMDP-MRVPVSSYSA-N 0 3 221.222 3.100 20 0 BGADHN C[C@@H](CCC(F)(F)F)NCc1ccoc1 ZINC000336774782 175660931 /nfs/dbraw/zinc/66/09/31/175660931.db2.gz ZSGIRSZMTJRMDP-QMMMGPOBSA-N 0 3 221.222 3.100 20 0 BGADHN CO[C@H](C)[C@@H](C)NCc1ccc(Cl)cc1C ZINC000336775449 411183599 /nfs/dbraw/zinc/18/35/99/411183599.db2.gz ZAWWUGIDSXPAGV-GHMZBOCLSA-N 0 3 241.762 3.161 20 0 BGADHN CO[C@@H](C)[C@@H](C)NCc1ccc(Cl)cc1C ZINC000336775450 411183630 /nfs/dbraw/zinc/18/36/30/411183630.db2.gz ZAWWUGIDSXPAGV-MNOVXSKESA-N 0 3 241.762 3.161 20 0 BGADHN Cc1nc(C(C)(C)NC[C@H]2C[C@@H]2C)sc1C ZINC000336775988 386390894 /nfs/dbraw/zinc/39/08/94/386390894.db2.gz DHVKQNZZGWMVAP-GZMMTYOYSA-N 0 3 238.400 3.241 20 0 BGADHN Cc1nc(C(C)(C)NC[C@@H]2C[C@H]2C)sc1C ZINC000336775989 386391253 /nfs/dbraw/zinc/39/12/53/386391253.db2.gz DHVKQNZZGWMVAP-KCJUWKMLSA-N 0 3 238.400 3.241 20 0 BGADHN Cc1nc(C(C)(C)NC[C@@H]2C[C@@H]2C)sc1C ZINC000336775990 386391413 /nfs/dbraw/zinc/39/14/13/386391413.db2.gz DHVKQNZZGWMVAP-KWQFWETISA-N 0 3 238.400 3.241 20 0 BGADHN Cc1nc(C(C)(C)NC[C@H]2C[C@H]2C)sc1C ZINC000336775991 386391113 /nfs/dbraw/zinc/39/11/13/386391113.db2.gz DHVKQNZZGWMVAP-LDYMZIIASA-N 0 3 238.400 3.241 20 0 BGADHN CCc1cnc(CN[C@@H](C)[C@H]2CC2(C)C)s1 ZINC000336776037 347502886 /nfs/dbraw/zinc/50/28/86/347502886.db2.gz DNFMTDFFSDYPCQ-GXSJLCMTSA-N 0 3 238.400 3.230 20 0 BGADHN CCc1cnc(CN[C@@H](C)[C@@H]2CC2(C)C)s1 ZINC000336776040 347502543 /nfs/dbraw/zinc/50/25/43/347502543.db2.gz DNFMTDFFSDYPCQ-ONGXEEELSA-N 0 3 238.400 3.230 20 0 BGADHN CCc1nc(C)c([C@@H](C)N[C@@H]2CC2(C)C)s1 ZINC000336776623 353478981 /nfs/dbraw/zinc/47/89/81/353478981.db2.gz GEBRWSABKBOQFF-PSASIEDQSA-N 0 3 238.400 3.463 20 0 BGADHN CCc1nc(C)c([C@@H](C)N[C@H]2CC2(C)C)s1 ZINC000336776624 353479099 /nfs/dbraw/zinc/47/90/99/353479099.db2.gz GEBRWSABKBOQFF-SCZZXKLOSA-N 0 3 238.400 3.463 20 0 BGADHN CCc1nc(C)c([C@H](C)N[C@@H]2CC2(C)C)s1 ZINC000336776625 353478999 /nfs/dbraw/zinc/47/89/99/353478999.db2.gz GEBRWSABKBOQFF-WCBMZHEXSA-N 0 3 238.400 3.463 20 0 BGADHN CCc1nc(C)c([C@H](C)N[C@H]2CC2(C)C)s1 ZINC000336776626 353479209 /nfs/dbraw/zinc/47/92/09/353479209.db2.gz GEBRWSABKBOQFF-WPRPVWTQSA-N 0 3 238.400 3.463 20 0 BGADHN CCc1cccc(F)c1CNCC1(C)CC1 ZINC000336776755 386400750 /nfs/dbraw/zinc/40/07/50/386400750.db2.gz GOBJDLBNHNUXRP-UHFFFAOYSA-N 0 3 221.319 3.278 20 0 BGADHN CCCc1csc(CNCC2(C)CCC2)n1 ZINC000336777035 188353874 /nfs/dbraw/zinc/35/38/74/188353874.db2.gz HHMSLUXYVOBQDI-UHFFFAOYSA-N 0 3 238.400 3.375 20 0 BGADHN CCc1cccc(F)c1CNCCCCF ZINC000336777382 386428155 /nfs/dbraw/zinc/42/81/55/386428155.db2.gz IHDNAIVMLCHCJC-UHFFFAOYSA-N 0 3 227.298 3.227 20 0 BGADHN CCc1ccc([C@H](C)N[C@H]2CC[C@@H](F)C2)o1 ZINC000336777518 386424187 /nfs/dbraw/zinc/42/41/87/386424187.db2.gz ISNQCMXLTVDSRB-AXFHLTTASA-N 0 3 225.307 3.383 20 0 BGADHN CCc1ccc([C@H](C)N[C@H]2CC[C@H](F)C2)o1 ZINC000336777519 386425313 /nfs/dbraw/zinc/42/53/13/386425313.db2.gz ISNQCMXLTVDSRB-DCAQKATOSA-N 0 3 225.307 3.383 20 0 BGADHN CCc1ccc([C@H](C)N[C@@H]2CC[C@H](F)C2)o1 ZINC000336777520 386424475 /nfs/dbraw/zinc/42/44/75/386424475.db2.gz ISNQCMXLTVDSRB-GARJFASQSA-N 0 3 225.307 3.383 20 0 BGADHN CCc1ccc([C@H](C)N[C@@H]2CC[C@@H](F)C2)o1 ZINC000336777521 386424769 /nfs/dbraw/zinc/42/47/69/386424769.db2.gz ISNQCMXLTVDSRB-HBNTYKKESA-N 0 3 225.307 3.383 20 0 BGADHN CCc1nc(CN[C@@H](C)[C@H]2CC2(C)C)cs1 ZINC000336777823 353502989 /nfs/dbraw/zinc/50/29/89/353502989.db2.gz JPWGJVYBYVIVPJ-GXSJLCMTSA-N 0 3 238.400 3.230 20 0 BGADHN CCc1nc(CN[C@H](C)[C@@H]2CC2(C)C)cs1 ZINC000336777824 353503033 /nfs/dbraw/zinc/50/30/33/353503033.db2.gz JPWGJVYBYVIVPJ-KOLCDFICSA-N 0 3 238.400 3.230 20 0 BGADHN CCc1nc(CN[C@H](C)[C@H]2CC2(C)C)cs1 ZINC000336777825 353503019 /nfs/dbraw/zinc/50/30/19/353503019.db2.gz JPWGJVYBYVIVPJ-MWLCHTKSSA-N 0 3 238.400 3.230 20 0 BGADHN CCc1nc(CN[C@@H](C)[C@@H]2CC2(C)C)cs1 ZINC000336777826 353502782 /nfs/dbraw/zinc/50/27/82/353502782.db2.gz JPWGJVYBYVIVPJ-ONGXEEELSA-N 0 3 238.400 3.230 20 0 BGADHN CCCc1csc(CNC[C@@H]2CC2(C)C)n1 ZINC000336777835 187317639 /nfs/dbraw/zinc/31/76/39/187317639.db2.gz JQXUHXWDYDJBCP-JTQLQIEISA-N 0 3 238.400 3.231 20 0 BGADHN CCCc1csc(CNC[C@H]2CC2(C)C)n1 ZINC000336777836 188177776 /nfs/dbraw/zinc/17/77/76/188177776.db2.gz JQXUHXWDYDJBCP-SNVBAGLBSA-N 0 3 238.400 3.231 20 0 BGADHN CCCc1nc(C)c(CNCC(C)(C)C)o1 ZINC000336778194 169586441 /nfs/dbraw/zinc/58/64/41/169586441.db2.gz KPKKMJICZPXUOJ-UHFFFAOYSA-N 0 3 224.348 3.071 20 0 BGADHN CCCc1csc(CN[C@@H]2CCC2(C)C)n1 ZINC000336778361 386460731 /nfs/dbraw/zinc/46/07/31/386460731.db2.gz LEUDNZAZSHXMIU-LLVKDONJSA-N 0 3 238.400 3.374 20 0 BGADHN CCCc1csc(CN[C@H]2CCC2(C)C)n1 ZINC000336778362 386460920 /nfs/dbraw/zinc/46/09/20/386460920.db2.gz LEUDNZAZSHXMIU-NSHDSACASA-N 0 3 238.400 3.374 20 0 BGADHN CCc1nc(C)c(CN[C@@H](C)CC(C)C)o1 ZINC000336778377 353517786 /nfs/dbraw/zinc/51/77/86/353517786.db2.gz LFIGXBJTHIEBND-JTQLQIEISA-N 0 3 224.348 3.070 20 0 BGADHN CCc1nc(C)c(CN[C@H](C)CC(C)C)o1 ZINC000336778378 353517444 /nfs/dbraw/zinc/51/74/44/353517444.db2.gz LFIGXBJTHIEBND-SNVBAGLBSA-N 0 3 224.348 3.070 20 0 BGADHN C[C@@H](NCc1nccs1)C1C(C)(C)C1(C)C ZINC000336778530 386463127 /nfs/dbraw/zinc/46/31/27/386463127.db2.gz LNYSMZRBOYEQQL-SECBINFHSA-N 0 3 238.400 3.303 20 0 BGADHN C[C@H](NCc1nccs1)C1C(C)(C)C1(C)C ZINC000336778531 386463757 /nfs/dbraw/zinc/46/37/57/386463757.db2.gz LNYSMZRBOYEQQL-VIFPVBQESA-N 0 3 238.400 3.303 20 0 BGADHN CCc1cccnc1[C@@H](C)NC[C@@H](C)SC ZINC000336778794 398245627 /nfs/dbraw/zinc/24/56/27/398245627.db2.gz MJEBOEKQLNIKSO-GHMZBOCLSA-N 0 3 238.400 3.046 20 0 BGADHN CCc1cccnc1[C@H](C)NC[C@@H](C)SC ZINC000336778795 386475422 /nfs/dbraw/zinc/47/54/22/386475422.db2.gz MJEBOEKQLNIKSO-MNOVXSKESA-N 0 3 238.400 3.046 20 0 BGADHN CCc1cccnc1[C@H](C)NC[C@H](C)SC ZINC000336778796 386476693 /nfs/dbraw/zinc/47/66/93/386476693.db2.gz MJEBOEKQLNIKSO-QWRGUYRKSA-N 0 3 238.400 3.046 20 0 BGADHN CCc1cccnc1[C@@H](C)NC[C@H](C)SC ZINC000336778797 398245624 /nfs/dbraw/zinc/24/56/24/398245624.db2.gz MJEBOEKQLNIKSO-WDEREUQCSA-N 0 3 238.400 3.046 20 0 BGADHN CCc1cnc(CNCCC2=CCCC2)s1 ZINC000336778799 353526721 /nfs/dbraw/zinc/52/67/21/353526721.db2.gz MJILITIMWYTDLL-UHFFFAOYSA-N 0 3 236.384 3.296 20 0 BGADHN C[C@@H]1C[C@@H](NCc2nc(C3CC3)cs2)[C@@H]1C ZINC000336779369 176377753 /nfs/dbraw/zinc/37/77/53/176377753.db2.gz OBRXYUZPJSUXRV-FXPVBKGRSA-N 0 3 236.384 3.155 20 0 BGADHN C[C@@H]1C[C@H](NCc2nc(C3CC3)cs2)[C@@H]1C ZINC000336779370 386495493 /nfs/dbraw/zinc/49/54/93/386495493.db2.gz OBRXYUZPJSUXRV-KKZNHRDASA-N 0 3 236.384 3.155 20 0 BGADHN C[C@@H]1C[C@@H](NCc2nc(C3CC3)cs2)[C@H]1C ZINC000336779371 386496303 /nfs/dbraw/zinc/49/63/03/386496303.db2.gz OBRXYUZPJSUXRV-WCABBAIRSA-N 0 3 236.384 3.155 20 0 BGADHN C[C@@H]1C[C@H](NCc2nc(C3CC3)cs2)[C@H]1C ZINC000336779372 176495762 /nfs/dbraw/zinc/49/57/62/176495762.db2.gz OBRXYUZPJSUXRV-YWVKMMECSA-N 0 3 236.384 3.155 20 0 BGADHN C[C@@H]1CC[C@H]1NCc1cnc(C2CCC2)s1 ZINC000336779499 176236947 /nfs/dbraw/zinc/23/69/47/176236947.db2.gz OMHCLBVTHBNMGH-BXKDBHETSA-N 0 3 236.384 3.299 20 0 BGADHN C[C@H]1CC[C@@H]1NCc1cnc(C2CCC2)s1 ZINC000336779500 177195807 /nfs/dbraw/zinc/19/58/07/177195807.db2.gz OMHCLBVTHBNMGH-CABZTGNLSA-N 0 3 236.384 3.299 20 0 BGADHN C[C@H]1CC[C@H]1NCc1cnc(C2CCC2)s1 ZINC000336779501 177207028 /nfs/dbraw/zinc/20/70/28/177207028.db2.gz OMHCLBVTHBNMGH-JOYOIKCWSA-N 0 3 236.384 3.299 20 0 BGADHN C[C@@H]1CC[C@@H]1NCc1cnc(C2CCC2)s1 ZINC000336779502 176216889 /nfs/dbraw/zinc/21/68/89/176216889.db2.gz OMHCLBVTHBNMGH-SKDRFNHKSA-N 0 3 236.384 3.299 20 0 BGADHN CCCc1csc(CNCC2CCCC2)n1 ZINC000336779729 188176824 /nfs/dbraw/zinc/17/68/24/188176824.db2.gz PKKXESQXHKHVAC-UHFFFAOYSA-N 0 3 238.400 3.375 20 0 BGADHN C[C@@H]1CC[C@H]1NCc1ncc(C(C)(C)C)s1 ZINC000336779776 176237279 /nfs/dbraw/zinc/23/72/79/176237279.db2.gz PPAWZBHYNORTTL-NXEZZACHSA-N 0 3 238.400 3.329 20 0 BGADHN C[C@H]1CC[C@@H]1NCc1ncc(C(C)(C)C)s1 ZINC000336779777 177195896 /nfs/dbraw/zinc/19/58/96/177195896.db2.gz PPAWZBHYNORTTL-UWVGGRQHSA-N 0 3 238.400 3.329 20 0 BGADHN C[C@H]1CC[C@H]1NCc1ncc(C(C)(C)C)s1 ZINC000336779778 177207084 /nfs/dbraw/zinc/20/70/84/177207084.db2.gz PPAWZBHYNORTTL-VHSXEESVSA-N 0 3 238.400 3.329 20 0 BGADHN C[C@@H]1CC[C@@H]1NCc1ncc(C(C)(C)C)s1 ZINC000336779779 176217977 /nfs/dbraw/zinc/21/79/77/176217977.db2.gz PPAWZBHYNORTTL-ZJUUUORDSA-N 0 3 238.400 3.329 20 0 BGADHN CCc1cccnc1[C@H](C)N[C@@H]1CC[C@@H]1C ZINC000336780592 353592830 /nfs/dbraw/zinc/59/28/30/353592830.db2.gz RTIAQEYWUUGGJC-GMXVVIOVSA-N 0 3 218.344 3.093 20 0 BGADHN CCc1cccnc1[C@H](C)N[C@H]1CC[C@@H]1C ZINC000336780593 353592893 /nfs/dbraw/zinc/59/28/93/353592893.db2.gz RTIAQEYWUUGGJC-GVXVVHGQSA-N 0 3 218.344 3.093 20 0 BGADHN CCc1cccnc1[C@H](C)N[C@H]1CC[C@H]1C ZINC000336780594 353592940 /nfs/dbraw/zinc/59/29/40/353592940.db2.gz RTIAQEYWUUGGJC-MDZLAQPJSA-N 0 3 218.344 3.093 20 0 BGADHN CCc1cccnc1[C@H](C)N[C@@H]1CC[C@H]1C ZINC000336780595 353593152 /nfs/dbraw/zinc/59/31/52/353593152.db2.gz RTIAQEYWUUGGJC-NTZNESFSSA-N 0 3 218.344 3.093 20 0 BGADHN CCCc1csc(CN[C@@H]2CC[C@@H](C)C2)n1 ZINC000336780805 386566728 /nfs/dbraw/zinc/56/67/28/386566728.db2.gz SDZOECUWCWGYPD-GHMZBOCLSA-N 0 3 238.400 3.374 20 0 BGADHN CCCc1csc(CN[C@H]2CC[C@@H](C)C2)n1 ZINC000336780806 386565546 /nfs/dbraw/zinc/56/55/46/386565546.db2.gz SDZOECUWCWGYPD-MNOVXSKESA-N 0 3 238.400 3.374 20 0 BGADHN CCCc1csc(CN[C@H]2CC[C@H](C)C2)n1 ZINC000336780807 386567339 /nfs/dbraw/zinc/56/73/39/386567339.db2.gz SDZOECUWCWGYPD-QWRGUYRKSA-N 0 3 238.400 3.374 20 0 BGADHN CCCc1csc(CN[C@@H]2CC[C@H](C)C2)n1 ZINC000336780808 386565022 /nfs/dbraw/zinc/56/50/22/386565022.db2.gz SDZOECUWCWGYPD-WDEREUQCSA-N 0 3 238.400 3.374 20 0 BGADHN CCc1ccc([C@@H](C)N[C@@H]2CSC2(C)C)o1 ZINC000336780976 386574873 /nfs/dbraw/zinc/57/48/73/386574873.db2.gz SVOJIRXYLXFCOY-BXKDBHETSA-N 0 3 239.384 3.387 20 0 BGADHN CCc1ccc([C@H](C)N[C@H]2CSC2(C)C)o1 ZINC000336780977 386575147 /nfs/dbraw/zinc/57/51/47/386575147.db2.gz SVOJIRXYLXFCOY-CABZTGNLSA-N 0 3 239.384 3.387 20 0 BGADHN CCc1ccc([C@H](C)N[C@@H]2CSC2(C)C)o1 ZINC000336780978 188353923 /nfs/dbraw/zinc/35/39/23/188353923.db2.gz SVOJIRXYLXFCOY-JOYOIKCWSA-N 0 3 239.384 3.387 20 0 BGADHN CCc1ccc([C@@H](C)N[C@H]2CSC2(C)C)o1 ZINC000336780979 386574033 /nfs/dbraw/zinc/57/40/33/386574033.db2.gz SVOJIRXYLXFCOY-SKDRFNHKSA-N 0 3 239.384 3.387 20 0 BGADHN CCCc1nc(C)c(CN[C@@H](C)C(C)C)o1 ZINC000336781363 386593985 /nfs/dbraw/zinc/59/39/85/386593985.db2.gz UMHXOFMIQXYVOG-JTQLQIEISA-N 0 3 224.348 3.070 20 0 BGADHN CCCc1nc(C)c(CN[C@H](C)C(C)C)o1 ZINC000336781364 386593824 /nfs/dbraw/zinc/59/38/24/386593824.db2.gz UMHXOFMIQXYVOG-SNVBAGLBSA-N 0 3 224.348 3.070 20 0 BGADHN Cc1cnc([C@H](NC[C@H]2C[C@H]2C)C2CC2)s1 ZINC000336781596 386607314 /nfs/dbraw/zinc/60/73/14/386607314.db2.gz VCKKFVLSOYSXJB-GGZOMVNGSA-N 0 3 236.384 3.148 20 0 BGADHN Cc1cnc([C@H](NC[C@@H]2C[C@H]2C)C2CC2)s1 ZINC000336781597 386607628 /nfs/dbraw/zinc/60/76/28/386607628.db2.gz VCKKFVLSOYSXJB-JFUSQASVSA-N 0 3 236.384 3.148 20 0 BGADHN Cc1cnc([C@H](NC[C@@H]2C[C@@H]2C)C2CC2)s1 ZINC000336781598 386606219 /nfs/dbraw/zinc/60/62/19/386606219.db2.gz VCKKFVLSOYSXJB-KPXOXKRLSA-N 0 3 236.384 3.148 20 0 BGADHN Cc1cnc([C@H](NC[C@H]2C[C@@H]2C)C2CC2)s1 ZINC000336781599 386606079 /nfs/dbraw/zinc/60/60/79/386606079.db2.gz VCKKFVLSOYSXJB-XXILOJSOSA-N 0 3 236.384 3.148 20 0 BGADHN CCOCCNCc1c(Cl)cccc1CC ZINC000336781635 386600733 /nfs/dbraw/zinc/60/07/33/386600733.db2.gz VEGIMQBYTNTSIX-UHFFFAOYSA-N 0 3 241.762 3.029 20 0 BGADHN CCc1ccc(CNCCC2(F)CCC2)o1 ZINC000336781700 398254206 /nfs/dbraw/zinc/25/42/06/398254206.db2.gz VIGZTQTXIIDEJG-UHFFFAOYSA-N 0 3 225.307 3.214 20 0 BGADHN CCc1ncc(CN[C@@H]2CC23CCCC3)s1 ZINC000336781701 537852068 /nfs/dbraw/zinc/85/20/68/537852068.db2.gz VIJGNHWCRRDDDV-LLVKDONJSA-N 0 3 236.384 3.128 20 0 BGADHN CCc1ncc(CN[C@H]2CC23CCCC3)s1 ZINC000336781702 537852319 /nfs/dbraw/zinc/85/23/19/537852319.db2.gz VIJGNHWCRRDDDV-NSHDSACASA-N 0 3 236.384 3.128 20 0 BGADHN CCc1nc(C)c(CNCCCC(C)C)o1 ZINC000336782447 353724251 /nfs/dbraw/zinc/72/42/51/353724251.db2.gz XREITFAJBNINKU-UHFFFAOYSA-N 0 3 224.348 3.071 20 0 BGADHN CCCc1csc(CN[C@@H]2CC[C@@H](F)C2)n1 ZINC000336782844 386650864 /nfs/dbraw/zinc/65/08/64/386650864.db2.gz YUTQGDIKQRUPAJ-NXEZZACHSA-N 0 3 242.363 3.076 20 0 BGADHN CCCc1csc(CN[C@H]2CC[C@H](F)C2)n1 ZINC000336782845 386652010 /nfs/dbraw/zinc/65/20/10/386652010.db2.gz YUTQGDIKQRUPAJ-UWVGGRQHSA-N 0 3 242.363 3.076 20 0 BGADHN CCCc1csc(CN[C@@H]2CC[C@H](F)C2)n1 ZINC000336782846 386651848 /nfs/dbraw/zinc/65/18/48/386651848.db2.gz YUTQGDIKQRUPAJ-VHSXEESVSA-N 0 3 242.363 3.076 20 0 BGADHN CCCc1csc(CN[C@H]2CC[C@@H](F)C2)n1 ZINC000336782847 386650402 /nfs/dbraw/zinc/65/04/02/386650402.db2.gz YUTQGDIKQRUPAJ-ZJUUUORDSA-N 0 3 242.363 3.076 20 0 BGADHN C[C@@H](NCc1cscn1)C1C(C)(C)C1(C)C ZINC000336782850 386650416 /nfs/dbraw/zinc/65/04/16/386650416.db2.gz YVAOPVAGAQOMDB-SECBINFHSA-N 0 3 238.400 3.303 20 0 BGADHN C[C@H](NCc1cscn1)C1C(C)(C)C1(C)C ZINC000336782851 386651939 /nfs/dbraw/zinc/65/19/39/386651939.db2.gz YVAOPVAGAQOMDB-VIFPVBQESA-N 0 3 238.400 3.303 20 0 BGADHN CCc1ccc([C@H](C)N[C@@H]2CSC[C@@H]2C)o1 ZINC000336783069 386654476 /nfs/dbraw/zinc/65/44/76/386654476.db2.gz ZJIILKHECZLYSS-JBLDHEPKSA-N 0 3 239.384 3.244 20 0 BGADHN CCc1ccc([C@H](C)N[C@@H]2CSC[C@H]2C)o1 ZINC000336783070 188438730 /nfs/dbraw/zinc/43/87/30/188438730.db2.gz ZJIILKHECZLYSS-JFGNBEQYSA-N 0 3 239.384 3.244 20 0 BGADHN CCc1ccc([C@H](C)N[C@H]2CSC[C@@H]2C)o1 ZINC000336783071 386655820 /nfs/dbraw/zinc/65/58/20/386655820.db2.gz ZJIILKHECZLYSS-NHCYSSNCSA-N 0 3 239.384 3.244 20 0 BGADHN CCc1ccc([C@H](C)N[C@H]2CSC[C@H]2C)o1 ZINC000336783072 386655710 /nfs/dbraw/zinc/65/57/10/386655710.db2.gz ZJIILKHECZLYSS-SCVCMEIPSA-N 0 3 239.384 3.244 20 0 BGADHN Cc1nc(CN[C@@H](C)[C@H]2CC2(C)C)sc1C ZINC000336783261 386657887 /nfs/dbraw/zinc/65/78/87/386657887.db2.gz ZXFRSKFLRLJINI-GXSJLCMTSA-N 0 3 238.400 3.284 20 0 BGADHN Cc1nc(CN[C@H](C)[C@@H]2CC2(C)C)sc1C ZINC000336783262 386656883 /nfs/dbraw/zinc/65/68/83/386656883.db2.gz ZXFRSKFLRLJINI-KOLCDFICSA-N 0 3 238.400 3.284 20 0 BGADHN Cc1nc(CN[C@H](C)[C@H]2CC2(C)C)sc1C ZINC000336783263 386656901 /nfs/dbraw/zinc/65/69/01/386656901.db2.gz ZXFRSKFLRLJINI-MWLCHTKSSA-N 0 3 238.400 3.284 20 0 BGADHN Cc1nc(CN[C@@H](C)[C@@H]2CC2(C)C)sc1C ZINC000336783264 386658608 /nfs/dbraw/zinc/65/86/08/386658608.db2.gz ZXFRSKFLRLJINI-ONGXEEELSA-N 0 3 238.400 3.284 20 0 BGADHN Cc1csc([C@H](NC[C@H]2C[C@H]2C)C2CC2)n1 ZINC000336783277 386666197 /nfs/dbraw/zinc/66/61/97/386666197.db2.gz ZYVCUKMQULVOCP-GGZOMVNGSA-N 0 3 236.384 3.148 20 0 BGADHN Cc1csc([C@H](NC[C@@H]2C[C@H]2C)C2CC2)n1 ZINC000336783278 386664563 /nfs/dbraw/zinc/66/45/63/386664563.db2.gz ZYVCUKMQULVOCP-JFUSQASVSA-N 0 3 236.384 3.148 20 0 BGADHN Cc1csc([C@H](NC[C@@H]2C[C@@H]2C)C2CC2)n1 ZINC000336783279 386664656 /nfs/dbraw/zinc/66/46/56/386664656.db2.gz ZYVCUKMQULVOCP-KPXOXKRLSA-N 0 3 236.384 3.148 20 0 BGADHN Cc1csc([C@H](NC[C@H]2C[C@@H]2C)C2CC2)n1 ZINC000336783280 386665692 /nfs/dbraw/zinc/66/56/92/386665692.db2.gz ZYVCUKMQULVOCP-XXILOJSOSA-N 0 3 236.384 3.148 20 0 BGADHN C[C@@H]1CC[C@@H](CN2CCCC[C@@H]2c2ccco2)O1 ZINC000336783538 176203735 /nfs/dbraw/zinc/20/37/35/176203735.db2.gz AOXFXGZQUCJKPS-HZSPNIEDSA-N 0 3 249.354 3.374 20 0 BGADHN C[C@@H]1CC[C@H](CN2CCCC[C@H]2c2ccco2)O1 ZINC000336783539 176223525 /nfs/dbraw/zinc/22/35/25/176223525.db2.gz AOXFXGZQUCJKPS-MCIONIFRSA-N 0 3 249.354 3.374 20 0 BGADHN C[C@@H]1CC[C@H](CN2CCCC[C@@H]2c2ccco2)O1 ZINC000336783540 176223847 /nfs/dbraw/zinc/22/38/47/176223847.db2.gz AOXFXGZQUCJKPS-MGPQQGTHSA-N 0 3 249.354 3.374 20 0 BGADHN C[C@@H]1CC[C@@H](CN2CCCC[C@H]2c2ccco2)O1 ZINC000336783541 176204339 /nfs/dbraw/zinc/20/43/39/176204339.db2.gz AOXFXGZQUCJKPS-RDBSUJKOSA-N 0 3 249.354 3.374 20 0 BGADHN c1coc(CN(CCC2CC2)C[C@@H]2CCCO2)c1 ZINC000336783552 386509190 /nfs/dbraw/zinc/50/91/90/386509190.db2.gz AZAVZPODINOUJF-HNNXBMFYSA-N 0 3 249.354 3.061 20 0 BGADHN c1coc(CN(CCC2CC2)C[C@H]2CCCO2)c1 ZINC000336783553 386507700 /nfs/dbraw/zinc/50/77/00/386507700.db2.gz AZAVZPODINOUJF-OAHLLOKOSA-N 0 3 249.354 3.061 20 0 BGADHN C[C@H]1CN(CCC2CC2)[C@H](c2ccccc2)CO1 ZINC000336783559 177247195 /nfs/dbraw/zinc/24/71/95/177247195.db2.gz BJIIIIKJXHMZSO-BBRMVZONSA-N 0 3 245.366 3.249 20 0 BGADHN C[C@@H]1CN(CCC2CC2)[C@H](c2ccccc2)CO1 ZINC000336783560 176286679 /nfs/dbraw/zinc/28/66/79/176286679.db2.gz BJIIIIKJXHMZSO-CJNGLKHVSA-N 0 3 245.366 3.249 20 0 BGADHN C[C@@H]1CN(CCC2CC2)[C@@H](c2ccccc2)CO1 ZINC000336783561 176286791 /nfs/dbraw/zinc/28/67/91/176286791.db2.gz BJIIIIKJXHMZSO-CZUORRHYSA-N 0 3 245.366 3.249 20 0 BGADHN C[C@H]1CN(CCC2CC2)[C@@H](c2ccccc2)CO1 ZINC000336783562 177246846 /nfs/dbraw/zinc/24/68/46/177246846.db2.gz BJIIIIKJXHMZSO-XJKSGUPXSA-N 0 3 245.366 3.249 20 0 BGADHN CC(C)COCCN(C)[C@H]1CCc2ccccc21 ZINC000336784036 188012444 /nfs/dbraw/zinc/01/24/44/188012444.db2.gz JOLDMDFZJNMNCK-INIZCTEOSA-N 0 3 247.382 3.278 20 0 BGADHN CC(C)COCCN(C)[C@@H]1CCc2ccccc21 ZINC000336784037 386509131 /nfs/dbraw/zinc/50/91/31/386509131.db2.gz JOLDMDFZJNMNCK-MRXNPFEDSA-N 0 3 247.382 3.278 20 0 BGADHN CN(CCC1CC1)C[C@@H]1OCCc2ccccc21 ZINC000336784321 386511463 /nfs/dbraw/zinc/51/14/63/386511463.db2.gz OTKFIOHWVMNCDW-INIZCTEOSA-N 0 3 245.366 3.032 20 0 BGADHN CN(CCC1CC1)C[C@H]1OCCc2ccccc21 ZINC000336784322 386511353 /nfs/dbraw/zinc/51/13/53/386511353.db2.gz OTKFIOHWVMNCDW-MRXNPFEDSA-N 0 3 245.366 3.032 20 0 BGADHN C[C@H]1CN(CCC2CC2)C[C@@H](c2ccccc2)O1 ZINC000336784663 177246817 /nfs/dbraw/zinc/24/68/17/177246817.db2.gz USSCAKMKWPZAIH-BBRMVZONSA-N 0 3 245.366 3.249 20 0 BGADHN C[C@@H]1CN(CCC2CC2)C[C@@H](c2ccccc2)O1 ZINC000336784664 176286844 /nfs/dbraw/zinc/28/68/44/176286844.db2.gz USSCAKMKWPZAIH-CJNGLKHVSA-N 0 3 245.366 3.249 20 0 BGADHN C[C@@H]1CN(CCC2CC2)C[C@H](c2ccccc2)O1 ZINC000336784665 176286943 /nfs/dbraw/zinc/28/69/43/176286943.db2.gz USSCAKMKWPZAIH-CZUORRHYSA-N 0 3 245.366 3.249 20 0 BGADHN C[C@H]1CN(CCC2CC2)C[C@H](c2ccccc2)O1 ZINC000336784666 177246923 /nfs/dbraw/zinc/24/69/23/177246923.db2.gz USSCAKMKWPZAIH-XJKSGUPXSA-N 0 3 245.366 3.249 20 0 BGADHN C[C@H]1CO[C@H](c2ccccc2)CN1CCC1CC1 ZINC000336784755 386511668 /nfs/dbraw/zinc/51/16/68/386511668.db2.gz XACAPIRTTVTEMU-BBRMVZONSA-N 0 3 245.366 3.249 20 0 BGADHN C[C@@H]1CO[C@H](c2ccccc2)CN1CCC1CC1 ZINC000336784756 176348499 /nfs/dbraw/zinc/34/84/99/176348499.db2.gz XACAPIRTTVTEMU-CJNGLKHVSA-N 0 3 245.366 3.249 20 0 BGADHN C[C@@H]1CO[C@@H](c2ccccc2)CN1CCC1CC1 ZINC000336784757 187322902 /nfs/dbraw/zinc/32/29/02/187322902.db2.gz XACAPIRTTVTEMU-CZUORRHYSA-N 0 3 245.366 3.249 20 0 BGADHN C[C@H]1CO[C@@H](c2ccccc2)CN1CCC1CC1 ZINC000336784758 177300851 /nfs/dbraw/zinc/30/08/51/177300851.db2.gz XACAPIRTTVTEMU-XJKSGUPXSA-N 0 3 245.366 3.249 20 0 BGADHN COc1ccccc1CN(CCC1CC1)C1CC1 ZINC000336784826 175325919 /nfs/dbraw/zinc/32/59/19/175325919.db2.gz YDXDCUBBXXRLDX-UHFFFAOYSA-N 0 3 245.366 3.460 20 0 BGADHN COc1ccc(F)cc1CNCCC1=CCCC1 ZINC000336786276 175130804 /nfs/dbraw/zinc/13/08/04/175130804.db2.gz BQRBTTKHEHMSEY-UHFFFAOYSA-N 0 3 249.329 3.424 20 0 BGADHN COc1ccncc1CNC[C@H]1CCCC[C@H]1C ZINC000336787261 175371570 /nfs/dbraw/zinc/37/15/70/175371570.db2.gz DQNNXPSWKLLXOR-CHWSQXEVSA-N 0 3 248.370 3.006 20 0 BGADHN COc1ccncc1CNC[C@@H]1CCCC[C@H]1C ZINC000336787262 175371482 /nfs/dbraw/zinc/37/14/82/175371482.db2.gz DQNNXPSWKLLXOR-OLZOCXBDSA-N 0 3 248.370 3.006 20 0 BGADHN COc1ccncc1CNC[C@H]1CCCC[C@@H]1C ZINC000336787263 175372312 /nfs/dbraw/zinc/37/23/12/175372312.db2.gz DQNNXPSWKLLXOR-QWHCGFSZSA-N 0 3 248.370 3.006 20 0 BGADHN COc1ccncc1CNC[C@@H]1CCCC[C@@H]1C ZINC000336787264 175372534 /nfs/dbraw/zinc/37/25/34/175372534.db2.gz DQNNXPSWKLLXOR-STQMWFEESA-N 0 3 248.370 3.006 20 0 BGADHN COc1ccncc1CN[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000336789534 175371893 /nfs/dbraw/zinc/37/18/93/175371893.db2.gz JIGFPWDRUZTXMD-MBNYWOFBSA-N 0 3 248.370 3.005 20 0 BGADHN COc1ccncc1CN[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000336789535 175371523 /nfs/dbraw/zinc/37/15/23/175371523.db2.gz JIGFPWDRUZTXMD-OUCADQQQSA-N 0 3 248.370 3.005 20 0 BGADHN COc1ccncc1CN[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000336789536 175371519 /nfs/dbraw/zinc/37/15/19/175371519.db2.gz JIGFPWDRUZTXMD-SGMGOOAPSA-N 0 3 248.370 3.005 20 0 BGADHN COc1ccncc1CN[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000336789537 175371923 /nfs/dbraw/zinc/37/19/23/175371923.db2.gz JIGFPWDRUZTXMD-YRGRVCCFSA-N 0 3 248.370 3.005 20 0 BGADHN CC[C@H]1CCC[C@@H](NCc2cnccc2OC)C1 ZINC000336789976 387617150 /nfs/dbraw/zinc/61/71/50/387617150.db2.gz KKILLLWEYWURKR-GXTWGEPZSA-N 0 3 248.370 3.149 20 0 BGADHN CC[C@H]1CCC[C@H](NCc2cnccc2OC)C1 ZINC000336789977 387617636 /nfs/dbraw/zinc/61/76/36/387617636.db2.gz KKILLLWEYWURKR-JSGCOSHPSA-N 0 3 248.370 3.149 20 0 BGADHN CC[C@@H]1CCC[C@H](NCc2cnccc2OC)C1 ZINC000336789978 358517346 /nfs/dbraw/zinc/51/73/46/358517346.db2.gz KKILLLWEYWURKR-OCCSQVGLSA-N 0 3 248.370 3.149 20 0 BGADHN CC[C@@H]1CCC[C@@H](NCc2cnccc2OC)C1 ZINC000336789979 358517529 /nfs/dbraw/zinc/51/75/29/358517529.db2.gz KKILLLWEYWURKR-TZMCWYRMSA-N 0 3 248.370 3.149 20 0 BGADHN C[C@@H]1CC[C@H]1NCc1cccc2c1OC(C)(C)C2 ZINC000336790911 176236716 /nfs/dbraw/zinc/23/67/16/176236716.db2.gz MJJPTGUGEJHOJE-BXUZGUMPSA-N 0 3 245.366 3.288 20 0 BGADHN C[C@H]1CC[C@@H]1NCc1cccc2c1OC(C)(C)C2 ZINC000336790912 177195077 /nfs/dbraw/zinc/19/50/77/177195077.db2.gz MJJPTGUGEJHOJE-FZMZJTMJSA-N 0 3 245.366 3.288 20 0 BGADHN C[C@@H]1CC[C@@H]1NCc1cccc2c1OC(C)(C)C2 ZINC000336790913 176217334 /nfs/dbraw/zinc/21/73/34/176217334.db2.gz MJJPTGUGEJHOJE-RISCZKNCSA-N 0 3 245.366 3.288 20 0 BGADHN C[C@H]1CC[C@H]1NCc1cccc2c1OC(C)(C)C2 ZINC000336790914 177207017 /nfs/dbraw/zinc/20/70/17/177207017.db2.gz MJJPTGUGEJHOJE-SMDDNHRTSA-N 0 3 245.366 3.288 20 0 BGADHN COc1ccncc1CN[C@H]1CCCCC1(C)C ZINC000336792140 175373441 /nfs/dbraw/zinc/37/34/41/175373441.db2.gz QSWWAAFFHGCCBE-AWEZNQCLSA-N 0 3 248.370 3.149 20 0 BGADHN COc1ccncc1CN[C@@H]1CCCCC1(C)C ZINC000336792141 175372299 /nfs/dbraw/zinc/37/22/99/175372299.db2.gz QSWWAAFFHGCCBE-CQSZACIVSA-N 0 3 248.370 3.149 20 0 BGADHN COc1ccncc1CN[C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000336792444 175372532 /nfs/dbraw/zinc/37/25/32/175372532.db2.gz SDYBHHVAGNZKPC-MBNYWOFBSA-N 0 3 248.370 3.005 20 0 BGADHN COc1ccncc1CN[C@@H]1CC[C@H](C)C[C@H]1C ZINC000336792445 175372476 /nfs/dbraw/zinc/37/24/76/175372476.db2.gz SDYBHHVAGNZKPC-OUCADQQQSA-N 0 3 248.370 3.005 20 0 BGADHN COc1ccncc1CN[C@@H]1CC[C@H](C)C[C@@H]1C ZINC000336792446 175372524 /nfs/dbraw/zinc/37/25/24/175372524.db2.gz SDYBHHVAGNZKPC-SGMGOOAPSA-N 0 3 248.370 3.005 20 0 BGADHN COc1ccncc1CN[C@@H]1CC[C@@H](C)C[C@H]1C ZINC000336792447 175371613 /nfs/dbraw/zinc/37/16/13/175371613.db2.gz SDYBHHVAGNZKPC-YRGRVCCFSA-N 0 3 248.370 3.005 20 0 BGADHN CCC1CCC(NCc2cnccc2OC)CC1 ZINC000336792801 168521663 /nfs/dbraw/zinc/52/16/63/168521663.db2.gz UFQIKTJWOAXYLJ-UHFFFAOYSA-N 0 3 248.370 3.149 20 0 BGADHN COc1ccc(OC)c([C@H](C)N[C@@H]2CC[C@@H]2C)c1 ZINC000336792982 175169016 /nfs/dbraw/zinc/16/90/16/175169016.db2.gz UYSULMUTWNPOER-COPLHBTASA-N 0 3 249.354 3.153 20 0 BGADHN COc1ccc(OC)c([C@H](C)N[C@H]2CC[C@@H]2C)c1 ZINC000336792983 175168881 /nfs/dbraw/zinc/16/88/81/175168881.db2.gz UYSULMUTWNPOER-MJVIPROJSA-N 0 3 249.354 3.153 20 0 BGADHN COc1ccc(OC)c([C@H](C)N[C@H]2CC[C@H]2C)c1 ZINC000336792984 175168820 /nfs/dbraw/zinc/16/88/20/175168820.db2.gz UYSULMUTWNPOER-SUNKGSAMSA-N 0 3 249.354 3.153 20 0 BGADHN COc1ccc(OC)c([C@H](C)N[C@@H]2CC[C@H]2C)c1 ZINC000336792985 175169053 /nfs/dbraw/zinc/16/90/53/175169053.db2.gz UYSULMUTWNPOER-UHIISALHSA-N 0 3 249.354 3.153 20 0 BGADHN C[C@@H](N[C@H]1C[C@@H](C)c2ccccc21)c1cn[nH]c1 ZINC000336793439 387166380 /nfs/dbraw/zinc/16/63/80/387166380.db2.gz WSKKFYTYNBXGRX-HFAKWTLXSA-N 0 3 241.338 3.309 20 0 BGADHN C[C@H](N[C@@H]1C[C@@H](C)c2ccccc21)c1cn[nH]c1 ZINC000336793440 387164871 /nfs/dbraw/zinc/16/48/71/387164871.db2.gz WSKKFYTYNBXGRX-JRPNMDOOSA-N 0 3 241.338 3.309 20 0 BGADHN C[C@@H](N[C@@H]1C[C@@H](C)c2ccccc21)c1cn[nH]c1 ZINC000336793441 176379140 /nfs/dbraw/zinc/37/91/40/176379140.db2.gz WSKKFYTYNBXGRX-UEKVPHQBSA-N 0 3 241.338 3.309 20 0 BGADHN C[C@H](N[C@H]1C[C@@H](C)c2ccccc21)c1cn[nH]c1 ZINC000336793442 387166424 /nfs/dbraw/zinc/16/64/24/387166424.db2.gz WSKKFYTYNBXGRX-ZETOZRRWSA-N 0 3 241.338 3.309 20 0 BGADHN COc1ccncc1CNC1CCC(C)(C)CC1 ZINC000336793837 175371627 /nfs/dbraw/zinc/37/16/27/175371627.db2.gz YOKVUWXGJFMQQS-UHFFFAOYSA-N 0 3 248.370 3.149 20 0 BGADHN CC[C@H](CNCc1c(C)oc2ccccc21)OC ZINC000336794733 388471370 /nfs/dbraw/zinc/47/13/70/388471370.db2.gz FGSDSUPTODCAGN-GFCCVEGCSA-N 0 3 247.338 3.256 20 0 BGADHN CC[C@@H](CNCc1c(C)oc2ccccc21)OC ZINC000336794734 388471181 /nfs/dbraw/zinc/47/11/81/388471181.db2.gz FGSDSUPTODCAGN-LBPRGKRZSA-N 0 3 247.338 3.256 20 0 BGADHN [O-]c1cc(F)cc(C[NH2+][C@@H]2CC3CCC2CC3)c1 ZINC000336794856 183259943 /nfs/dbraw/zinc/25/99/43/183259943.db2.gz GGRGFMCXZQIQIG-MBRGGSNBSA-N 0 3 249.329 3.200 20 0 BGADHN [O-]c1cc(F)cc(C[NH2+][C@H]2CC3CCC2CC3)c1 ZINC000336794857 183259679 /nfs/dbraw/zinc/25/96/79/183259679.db2.gz GGRGFMCXZQIQIG-QHAMSDLMSA-N 0 3 249.329 3.200 20 0 BGADHN CCc1nc(C)c(CNC2CCC(C)CC2)o1 ZINC000336812980 365376892 /nfs/dbraw/zinc/37/68/92/365376892.db2.gz BIUOQHHMAPOXOA-UHFFFAOYSA-N 0 3 236.359 3.214 20 0 BGADHN CCc1nc(C)c(CN[C@H]2CCC[C@H]2CC)o1 ZINC000336817231 364793491 /nfs/dbraw/zinc/79/34/91/364793491.db2.gz PGVOBSJTJZYRDH-NEPJUHHUSA-N 0 3 236.359 3.214 20 0 BGADHN CCc1nc(C)c(CN[C@@H]2CCC[C@@H]2CC)o1 ZINC000336817232 364793861 /nfs/dbraw/zinc/79/38/61/364793861.db2.gz PGVOBSJTJZYRDH-NWDGAFQWSA-N 0 3 236.359 3.214 20 0 BGADHN CCc1nc(C)c(CN[C@H]2CCC[C@@H]2CC)o1 ZINC000336817233 364793574 /nfs/dbraw/zinc/79/35/74/364793574.db2.gz PGVOBSJTJZYRDH-RYUDHWBXSA-N 0 3 236.359 3.214 20 0 BGADHN CCc1nc(C)c(CN[C@@H]2CCC[C@H]2CC)o1 ZINC000336817234 364794541 /nfs/dbraw/zinc/79/45/41/364794541.db2.gz PGVOBSJTJZYRDH-VXGBXAGGSA-N 0 3 236.359 3.214 20 0 BGADHN CCc1nc(C)c(CN[C@@H]2CCC(C)(C)C2)o1 ZINC000336817628 171954940 /nfs/dbraw/zinc/95/49/40/171954940.db2.gz RBLGKPLRVSLZNK-LLVKDONJSA-N 0 3 236.359 3.214 20 0 BGADHN CCc1nc(C)c(CN[C@H]2CCC(C)(C)C2)o1 ZINC000336817629 364874187 /nfs/dbraw/zinc/87/41/87/364874187.db2.gz RBLGKPLRVSLZNK-NSHDSACASA-N 0 3 236.359 3.214 20 0 BGADHN CCc1nc(C)c(CN[C@H](C)CCC(C)C)o1 ZINC000336817667 364875353 /nfs/dbraw/zinc/87/53/53/364875353.db2.gz RGUWGGCCBLYAAA-LLVKDONJSA-N 0 3 238.375 3.460 20 0 BGADHN CCc1nc(C)c(CN[C@@H](C)CCC(C)C)o1 ZINC000336817668 364875003 /nfs/dbraw/zinc/87/50/03/364875003.db2.gz RGUWGGCCBLYAAA-NSHDSACASA-N 0 3 238.375 3.460 20 0 BGADHN CCc1nc(C)c(CN[C@@H]2CCCC[C@@H]2C)o1 ZINC000336817978 364880512 /nfs/dbraw/zinc/88/05/12/364880512.db2.gz SQIDKZZJHRXAGC-CMPLNLGQSA-N 0 3 236.359 3.214 20 0 BGADHN CCc1nc(C)c(CN[C@H]2CCCC[C@@H]2C)o1 ZINC000336817979 364879665 /nfs/dbraw/zinc/87/96/65/364879665.db2.gz SQIDKZZJHRXAGC-JQWIXIFHSA-N 0 3 236.359 3.214 20 0 BGADHN CCc1nc(C)c(CN[C@H]2CCCC[C@H]2C)o1 ZINC000336817980 364880733 /nfs/dbraw/zinc/88/07/33/364880733.db2.gz SQIDKZZJHRXAGC-PWSUYJOCSA-N 0 3 236.359 3.214 20 0 BGADHN CCc1nc(C)c(CN[C@@H]2CCCC[C@H]2C)o1 ZINC000336817981 364880622 /nfs/dbraw/zinc/88/06/22/364880622.db2.gz SQIDKZZJHRXAGC-ZYHUDNBSSA-N 0 3 236.359 3.214 20 0 BGADHN CCc1nc(C)c(CN[C@@H](C)C2CCCC2)o1 ZINC000336818781 364899200 /nfs/dbraw/zinc/89/92/00/364899200.db2.gz WZLKLKGVZZJYMY-JTQLQIEISA-N 0 3 236.359 3.214 20 0 BGADHN CCc1nc(C)c(CN[C@H](C)C2CCCC2)o1 ZINC000336818782 364898737 /nfs/dbraw/zinc/89/87/37/364898737.db2.gz WZLKLKGVZZJYMY-SNVBAGLBSA-N 0 3 236.359 3.214 20 0 BGADHN Cc1csc(CNCCC(C)(C)C2CC2)n1 ZINC000336884046 388470719 /nfs/dbraw/zinc/47/07/19/388470719.db2.gz ADBIWQWXHZAGRS-UHFFFAOYSA-N 0 3 238.400 3.367 20 0 BGADHN COc1cccc(CNCCC(C)(C)C2CC2)n1 ZINC000336885706 175262986 /nfs/dbraw/zinc/26/29/86/175262986.db2.gz DVGNLKVALBHZPO-UHFFFAOYSA-N 0 3 248.370 3.006 20 0 BGADHN Cc1noc(C)c1CNCCC(C)(C)C1CC1 ZINC000336889286 388470835 /nfs/dbraw/zinc/47/08/35/388470835.db2.gz LOGDYNWTXKVGRT-UHFFFAOYSA-N 0 3 236.359 3.207 20 0 BGADHN Cc1ccc(CNCCC(C)(C)C2CC2)nc1 ZINC000336891463 388435650 /nfs/dbraw/zinc/43/56/50/388435650.db2.gz PWXXPPROMFWWDP-UHFFFAOYSA-N 0 3 232.371 3.306 20 0 BGADHN CC1(C)OCC[C@@H]1NCc1cc2ccccc2o1 ZINC000336896795 206019225 /nfs/dbraw/zinc/01/92/25/206019225.db2.gz OJCVLBPCTSZYOO-AWEZNQCLSA-N 0 3 245.322 3.090 20 0 BGADHN CC1(C)OCC[C@H]1NCc1cc2ccccc2o1 ZINC000336896797 206019493 /nfs/dbraw/zinc/01/94/93/206019493.db2.gz OJCVLBPCTSZYOO-CQSZACIVSA-N 0 3 245.322 3.090 20 0 BGADHN CCN(CCCC(C)(C)C)Cc1cnn(C)c1 ZINC000337122144 386612717 /nfs/dbraw/zinc/61/27/17/386612717.db2.gz BBZJTYCSSZGWON-UHFFFAOYSA-N 0 3 237.391 3.068 20 0 BGADHN CC(C)n1nccc1CN1CCC[C@H]1C(C)(C)C ZINC000337122795 386613550 /nfs/dbraw/zinc/61/35/50/386613550.db2.gz BQESFOWSWQBTSO-AWEZNQCLSA-N 0 3 249.402 3.475 20 0 BGADHN CC(C)n1nccc1CN1CCC[C@@H]1C(C)(C)C ZINC000337122796 386612078 /nfs/dbraw/zinc/61/20/78/386612078.db2.gz BQESFOWSWQBTSO-CQSZACIVSA-N 0 3 249.402 3.475 20 0 BGADHN CCN(Cc1ccnn1C(C)C)C1CCCC1 ZINC000337124323 350558054 /nfs/dbraw/zinc/55/80/54/350558054.db2.gz DCQKONRFBYOQOV-UHFFFAOYSA-N 0 3 235.375 3.229 20 0 BGADHN CC(C)n1nccc1CN1CCC(C)(C)CC1 ZINC000337126061 386614697 /nfs/dbraw/zinc/61/46/97/386614697.db2.gz FOWOTCSJELOUNI-UHFFFAOYSA-N 0 3 235.375 3.086 20 0 BGADHN CC(C)n1nccc1CN1CCC[C@@H](C)CC1 ZINC000337127228 386615680 /nfs/dbraw/zinc/61/56/80/386615680.db2.gz GNUKZSHQRVVPAK-CYBMUJFWSA-N 0 3 235.375 3.086 20 0 BGADHN CC(C)n1nccc1CN1CCC[C@H](C)CC1 ZINC000337127230 386615352 /nfs/dbraw/zinc/61/53/52/386615352.db2.gz GNUKZSHQRVVPAK-ZDUSSCGKSA-N 0 3 235.375 3.086 20 0 BGADHN CCCN(Cc1ccnn1C(C)C)CC(C)C ZINC000337127237 169179347 /nfs/dbraw/zinc/17/93/47/169179347.db2.gz GOLHLGNBYYXSOM-UHFFFAOYSA-N 0 3 237.391 3.332 20 0 BGADHN CC(C)(C)CCCN1CCO[C@@H]2CCC[C@H]21 ZINC000337127311 386615490 /nfs/dbraw/zinc/61/54/90/386615490.db2.gz GQZGOPSAABBGQD-CHWSQXEVSA-N 0 3 225.376 3.066 20 0 BGADHN CC(C)(C)CCCN1CCO[C@H]2CCC[C@H]21 ZINC000337127312 386614945 /nfs/dbraw/zinc/61/49/45/386614945.db2.gz GQZGOPSAABBGQD-OLZOCXBDSA-N 0 3 225.376 3.066 20 0 BGADHN CC(C)(C)CCCN1CCO[C@@H]2CCC[C@@H]21 ZINC000337127313 386614758 /nfs/dbraw/zinc/61/47/58/386614758.db2.gz GQZGOPSAABBGQD-QWHCGFSZSA-N 0 3 225.376 3.066 20 0 BGADHN CC(C)(C)CCCN1CCO[C@H]2CCC[C@@H]21 ZINC000337127315 386614822 /nfs/dbraw/zinc/61/48/22/386614822.db2.gz GQZGOPSAABBGQD-STQMWFEESA-N 0 3 225.376 3.066 20 0 BGADHN CCN(Cc1ccnn1C(C)C)[C@H](C)C(C)C ZINC000337128362 350558757 /nfs/dbraw/zinc/55/87/57/350558757.db2.gz HUWJLBNDKMDZCW-CYBMUJFWSA-N 0 3 237.391 3.330 20 0 BGADHN CCN(Cc1ccnn1C(C)C)[C@@H](C)C(C)C ZINC000337128363 350558745 /nfs/dbraw/zinc/55/87/45/350558745.db2.gz HUWJLBNDKMDZCW-ZDUSSCGKSA-N 0 3 237.391 3.330 20 0 BGADHN CC(C)CN(Cc1ccnn1C(C)C)C(C)C ZINC000337128940 350558829 /nfs/dbraw/zinc/55/88/29/350558829.db2.gz IEYWJEXFIQHLKY-UHFFFAOYSA-N 0 3 237.391 3.330 20 0 BGADHN C[C@@H]1CCCN(Cc2cnc3ccccc3c2)C1 ZINC000337129564 176101554 /nfs/dbraw/zinc/10/15/54/176101554.db2.gz JBPSBECJVQPEGI-CYBMUJFWSA-N 0 3 240.350 3.467 20 0 BGADHN C[C@H]1CCCN(Cc2cnc3ccccc3c2)C1 ZINC000337129565 177102638 /nfs/dbraw/zinc/10/26/38/177102638.db2.gz JBPSBECJVQPEGI-ZDUSSCGKSA-N 0 3 240.350 3.467 20 0 BGADHN CCC1(C)CCN(Cc2ccnn2C(C)C)CC1 ZINC000337131496 386618515 /nfs/dbraw/zinc/61/85/15/386618515.db2.gz JTWJYOCUEAGVHS-UHFFFAOYSA-N 0 3 249.402 3.476 20 0 BGADHN CC[C@H]1CCCN(Cc2ccnn2C(C)C)CC1 ZINC000337133095 386619526 /nfs/dbraw/zinc/61/95/26/386619526.db2.gz ATWHYVPROVTXCL-AWEZNQCLSA-N 0 3 249.402 3.476 20 0 BGADHN CC[C@@H]1CCCN(Cc2ccnn2C(C)C)CC1 ZINC000337133096 350559505 /nfs/dbraw/zinc/55/95/05/350559505.db2.gz ATWHYVPROVTXCL-CQSZACIVSA-N 0 3 249.402 3.476 20 0 BGADHN CC1CCN(Cc2cnc3ccccc3c2)CC1 ZINC000337133579 168184969 /nfs/dbraw/zinc/18/49/69/168184969.db2.gz MGIUIIWEUHUFFJ-UHFFFAOYSA-N 0 3 240.350 3.467 20 0 BGADHN CCCCN(Cc1ccnn1C(C)C)C1CC1 ZINC000337135087 386619980 /nfs/dbraw/zinc/61/99/80/386619980.db2.gz NPDWPBDJCYONQQ-UHFFFAOYSA-N 0 3 235.375 3.229 20 0 BGADHN CCC1CCN(Cc2ccnn2C(C)C)CC1 ZINC000337135404 386621161 /nfs/dbraw/zinc/62/11/61/386621161.db2.gz MNCGOPSYPNQBBU-UHFFFAOYSA-N 0 3 235.375 3.086 20 0 BGADHN CC(C)[C@@H](C)N(Cc1ccnn1C(C)C)C1CC1 ZINC000337135842 167370224 /nfs/dbraw/zinc/37/02/24/167370224.db2.gz MSHTYTBJHUGLHN-CYBMUJFWSA-N 0 3 249.402 3.473 20 0 BGADHN CC(C)[C@H](C)N(Cc1ccnn1C(C)C)C1CC1 ZINC000337135843 386623844 /nfs/dbraw/zinc/62/38/44/386623844.db2.gz MSHTYTBJHUGLHN-ZDUSSCGKSA-N 0 3 249.402 3.473 20 0 BGADHN CC(C)n1nccc1CN(C)C1CCCCC1 ZINC000337136660 386625170 /nfs/dbraw/zinc/62/51/70/386625170.db2.gz ORKUTUJSRFGRKT-UHFFFAOYSA-N 0 3 235.375 3.229 20 0 BGADHN CC(C)n1nccc1CN(C)C(C1CC1)C1CC1 ZINC000337137012 386624120 /nfs/dbraw/zinc/62/41/20/386624120.db2.gz NSMZGKRIMVQNTF-UHFFFAOYSA-N 0 3 247.386 3.084 20 0 BGADHN CC(C)n1nccc1CN(C)CC1CCCC1 ZINC000337137016 386623221 /nfs/dbraw/zinc/62/32/21/386623221.db2.gz NTAJPUYMFUZAJG-UHFFFAOYSA-N 0 3 235.375 3.086 20 0 BGADHN CC(C)C[C@@H](C)CN(C)Cc1ccco1 ZINC000337137534 187323665 /nfs/dbraw/zinc/32/36/65/187323665.db2.gz PTZGZKJWDGUKAJ-GFCCVEGCSA-N 0 3 209.333 3.394 20 0 BGADHN CC(C)C[C@H](C)CN(C)Cc1ccco1 ZINC000337137535 386623008 /nfs/dbraw/zinc/62/30/08/386623008.db2.gz PTZGZKJWDGUKAJ-LBPRGKRZSA-N 0 3 209.333 3.394 20 0 BGADHN CC(C)n1nccc1CN([C@H](C)C1CC1)C1CC1 ZINC000337138324 386624835 /nfs/dbraw/zinc/62/48/35/386624835.db2.gz OWTUJXCIICYGTD-GFCCVEGCSA-N 0 3 247.386 3.227 20 0 BGADHN CC(C)n1nccc1CN([C@@H](C)C1CC1)C1CC1 ZINC000337138326 386624642 /nfs/dbraw/zinc/62/46/42/386624642.db2.gz OWTUJXCIICYGTD-LBPRGKRZSA-N 0 3 247.386 3.227 20 0 BGADHN CCC[C@@H](C)N(C)Cc1ccnn1C(C)C ZINC000337139683 169364960 /nfs/dbraw/zinc/36/49/60/169364960.db2.gz SJHMFQSRTRLMEI-GFCCVEGCSA-N 0 3 223.364 3.084 20 0 BGADHN CCC[C@H](C)N(C)Cc1ccnn1C(C)C ZINC000337139684 386623034 /nfs/dbraw/zinc/62/30/34/386623034.db2.gz SJHMFQSRTRLMEI-LBPRGKRZSA-N 0 3 223.364 3.084 20 0 BGADHN CC(C)n1nccc1CN(C)C1CCC(C)CC1 ZINC000337139732 168159638 /nfs/dbraw/zinc/15/96/38/168159638.db2.gz SPPVRUPLXARVLV-UHFFFAOYSA-N 0 3 249.402 3.475 20 0 BGADHN CC[C@@H]1CCCN(Cc2ccnn2C(C)C)C1 ZINC000337140862 350559465 /nfs/dbraw/zinc/55/94/65/350559465.db2.gz UTJFDLRTEUBRAR-CYBMUJFWSA-N 0 3 235.375 3.086 20 0 BGADHN CC[C@H]1CCCN(Cc2ccnn2C(C)C)C1 ZINC000337140863 386622741 /nfs/dbraw/zinc/62/27/41/386622741.db2.gz UTJFDLRTEUBRAR-ZDUSSCGKSA-N 0 3 235.375 3.086 20 0 BGADHN CC(C)CN(Cc1ccnn1C(C)C)C1CC1 ZINC000337140946 350559478 /nfs/dbraw/zinc/55/94/78/350559478.db2.gz VAUKLEWFSMXGAU-UHFFFAOYSA-N 0 3 235.375 3.084 20 0 BGADHN CC(C)C[C@@H]1CCCN1Cc1ccnn1C(C)C ZINC000337141298 191136460 /nfs/dbraw/zinc/13/64/60/191136460.db2.gz SADDNILONGZQQE-AWEZNQCLSA-N 0 3 249.402 3.475 20 0 BGADHN CC(C)C[C@H]1CCCN1Cc1ccnn1C(C)C ZINC000337141299 386624758 /nfs/dbraw/zinc/62/47/58/386624758.db2.gz SADDNILONGZQQE-CQSZACIVSA-N 0 3 249.402 3.475 20 0 BGADHN CCCCN(CC)Cc1ccnn1C(C)C ZINC000337141368 386622700 /nfs/dbraw/zinc/62/27/00/386622700.db2.gz VNOLCJBYTUQEDX-UHFFFAOYSA-N 0 3 223.364 3.086 20 0 BGADHN CC(C)n1nccc1CN(C)CC1CCCCC1 ZINC000337141874 386624958 /nfs/dbraw/zinc/62/49/58/386624958.db2.gz WFAXVFXTSNTGGJ-UHFFFAOYSA-N 0 3 249.402 3.476 20 0 BGADHN CC(C)n1nccc1CN(C)[C@H]1CCC[C@H](C)C1 ZINC000337142317 386626969 /nfs/dbraw/zinc/62/69/69/386626969.db2.gz TZIOVDIARDPICJ-KBPBESRZSA-N 0 3 249.402 3.475 20 0 BGADHN CC(C)n1nccc1CN(C)[C@H]1CCC[C@@H](C)C1 ZINC000337142318 386627000 /nfs/dbraw/zinc/62/70/00/386627000.db2.gz TZIOVDIARDPICJ-KGLIPLIRSA-N 0 3 249.402 3.475 20 0 BGADHN CC(C)n1nccc1CN(C)[C@@H]1CCC[C@H](C)C1 ZINC000337142319 386627028 /nfs/dbraw/zinc/62/70/28/386627028.db2.gz TZIOVDIARDPICJ-UONOGXRCSA-N 0 3 249.402 3.475 20 0 BGADHN CC(C)n1nccc1CN(C)[C@@H]1CCC[C@@H](C)C1 ZINC000337142320 386626494 /nfs/dbraw/zinc/62/64/94/386626494.db2.gz TZIOVDIARDPICJ-ZIAGYGMSSA-N 0 3 249.402 3.475 20 0 BGADHN CCCN(CCC)Cc1ccnn1C(C)C ZINC000337142540 169148714 /nfs/dbraw/zinc/14/87/14/169148714.db2.gz XGBHXWYRDAQVET-UHFFFAOYSA-N 0 3 223.364 3.086 20 0 BGADHN CC[C@@H]1CCCCN1Cc1ccnn1C(C)C ZINC000337143247 350560382 /nfs/dbraw/zinc/56/03/82/350560382.db2.gz YGJKMFDBJZTVTM-CYBMUJFWSA-N 0 3 235.375 3.229 20 0 BGADHN CC[C@H]1CCCCN1Cc1ccnn1C(C)C ZINC000337143249 386626957 /nfs/dbraw/zinc/62/69/57/386626957.db2.gz YGJKMFDBJZTVTM-ZDUSSCGKSA-N 0 3 235.375 3.229 20 0 BGADHN CCCN(Cc1ccnn1C(C)C)CC1CC1 ZINC000337143516 169179564 /nfs/dbraw/zinc/17/95/64/169179564.db2.gz YNISKGUKYJNZPV-UHFFFAOYSA-N 0 3 235.375 3.086 20 0 BGADHN CC(C)[C@@H]1CCCN1Cc1ccnn1C(C)C ZINC000337143907 386627211 /nfs/dbraw/zinc/62/72/11/386627211.db2.gz VYPNWTHNJYACOB-AWEZNQCLSA-N 0 3 235.375 3.084 20 0 BGADHN CC(C)[C@H]1CCCN1Cc1ccnn1C(C)C ZINC000337143908 188184918 /nfs/dbraw/zinc/18/49/18/188184918.db2.gz VYPNWTHNJYACOB-CQSZACIVSA-N 0 3 235.375 3.084 20 0 BGADHN CC(C)CCN(Cc1ccnn1C(C)C)C1CC1 ZINC000337143949 537854705 /nfs/dbraw/zinc/85/47/05/537854705.db2.gz WCUGRDPZFUKDGF-UHFFFAOYSA-N 0 3 249.402 3.475 20 0 BGADHN CC(C)C[C@@H](C)CN(C)Cc1ccoc1 ZINC000337146005 187323481 /nfs/dbraw/zinc/32/34/81/187323481.db2.gz XXBVPLFZNOARMB-GFCCVEGCSA-N 0 3 209.333 3.394 20 0 BGADHN CC(C)C[C@H](C)CN(C)Cc1ccoc1 ZINC000337146006 188184779 /nfs/dbraw/zinc/18/47/79/188184779.db2.gz XXBVPLFZNOARMB-LBPRGKRZSA-N 0 3 209.333 3.394 20 0 BGADHN CSCCN(C)Cc1cnc2ccccc2c1 ZINC000337150215 386618601 /nfs/dbraw/zinc/61/86/01/386618601.db2.gz IRFWTABIRPZZAP-UHFFFAOYSA-N 0 3 246.379 3.030 20 0 BGADHN CC(C)(C)CCCN1CC[C@@](C)(F)C1 ZINC000337166711 386630444 /nfs/dbraw/zinc/63/04/44/386630444.db2.gz AHLNTPDHYUUONG-GFCCVEGCSA-N 0 3 201.329 3.247 20 0 BGADHN CC(C)(C)CCCN1CC[C@](C)(F)C1 ZINC000337166713 386629335 /nfs/dbraw/zinc/62/93/35/386629335.db2.gz AHLNTPDHYUUONG-LBPRGKRZSA-N 0 3 201.329 3.247 20 0 BGADHN CC(C)(C)CCCN1CCOC2(CCC2)C1 ZINC000337167212 386630787 /nfs/dbraw/zinc/63/07/87/386630787.db2.gz AQILIRNWQIRQKK-UHFFFAOYSA-N 0 3 225.376 3.068 20 0 BGADHN CCC[C@H]1CCCN(Cc2ccnn2C(C)C)C1 ZINC000337167728 386631025 /nfs/dbraw/zinc/63/10/25/386631025.db2.gz CQTOQTKSJMOHDF-AWEZNQCLSA-N 0 3 249.402 3.476 20 0 BGADHN CCC[C@@H]1CCCN(Cc2ccnn2C(C)C)C1 ZINC000337167729 386631002 /nfs/dbraw/zinc/63/10/02/386631002.db2.gz CQTOQTKSJMOHDF-CQSZACIVSA-N 0 3 249.402 3.476 20 0 BGADHN CC(C)n1nccc1CN1C[C@H](C)CC[C@H]1C ZINC000337169190 386631125 /nfs/dbraw/zinc/63/11/25/386631125.db2.gz DLUGOTAYCGHDLZ-CHWSQXEVSA-N 0 3 235.375 3.084 20 0 BGADHN CC(C)n1nccc1CN1C[C@H](C)CC[C@@H]1C ZINC000337169191 386630101 /nfs/dbraw/zinc/63/01/01/386630101.db2.gz DLUGOTAYCGHDLZ-OLZOCXBDSA-N 0 3 235.375 3.084 20 0 BGADHN CC(C)n1nccc1CN1C[C@@H](C)CC[C@H]1C ZINC000337169192 386630616 /nfs/dbraw/zinc/63/06/16/386630616.db2.gz DLUGOTAYCGHDLZ-QWHCGFSZSA-N 0 3 235.375 3.084 20 0 BGADHN CC(C)n1nccc1CN1C[C@@H](C)CC[C@@H]1C ZINC000337169193 386630522 /nfs/dbraw/zinc/63/05/22/386630522.db2.gz DLUGOTAYCGHDLZ-STQMWFEESA-N 0 3 235.375 3.084 20 0 BGADHN C[C@]1(F)CCN(CCCCC2CCOCC2)C1 ZINC000337170174 386629888 /nfs/dbraw/zinc/62/98/88/386629888.db2.gz CRTKAEAFPLXULL-AWEZNQCLSA-N 0 3 243.366 3.017 20 0 BGADHN C[C@@]1(F)CCN(CCCCC2CCOCC2)C1 ZINC000337170175 386634032 /nfs/dbraw/zinc/63/40/32/386634032.db2.gz CRTKAEAFPLXULL-CQSZACIVSA-N 0 3 243.366 3.017 20 0 BGADHN CC(C)n1nccc1CN1C[C@H](C)CC1(C)C ZINC000337171946 386632037 /nfs/dbraw/zinc/63/20/37/386632037.db2.gz GGGZBFWBERMGCG-GFCCVEGCSA-N 0 3 235.375 3.084 20 0 BGADHN CC(C)n1nccc1CN1C[C@@H](C)CC1(C)C ZINC000337171947 386632691 /nfs/dbraw/zinc/63/26/91/386632691.db2.gz GGGZBFWBERMGCG-LBPRGKRZSA-N 0 3 235.375 3.084 20 0 BGADHN CC(C)n1nccc1CN1CCC[C@@H](C)[C@H]1C ZINC000337173518 386632053 /nfs/dbraw/zinc/63/20/53/386632053.db2.gz HFMNZWNMEHOVFH-CHWSQXEVSA-N 0 3 235.375 3.084 20 0 BGADHN CC(C)n1nccc1CN1CCC[C@@H](C)[C@@H]1C ZINC000337173519 386631816 /nfs/dbraw/zinc/63/18/16/386631816.db2.gz HFMNZWNMEHOVFH-OLZOCXBDSA-N 0 3 235.375 3.084 20 0 BGADHN CC(C)n1nccc1CN1CCC[C@H](C)[C@H]1C ZINC000337173520 386632389 /nfs/dbraw/zinc/63/23/89/386632389.db2.gz HFMNZWNMEHOVFH-QWHCGFSZSA-N 0 3 235.375 3.084 20 0 BGADHN CC(C)n1nccc1CN1CCC[C@H](C)[C@@H]1C ZINC000337173521 386633525 /nfs/dbraw/zinc/63/35/25/386633525.db2.gz HFMNZWNMEHOVFH-STQMWFEESA-N 0 3 235.375 3.084 20 0 BGADHN CC[C@@]1(C)CCCN(Cc2ccnn2C(C)C)C1 ZINC000337175409 171199936 /nfs/dbraw/zinc/19/99/36/171199936.db2.gz ISEWYOPNEUDESX-HNNXBMFYSA-N 0 3 249.402 3.476 20 0 BGADHN CC[C@]1(C)CCCN(Cc2ccnn2C(C)C)C1 ZINC000337175410 386636467 /nfs/dbraw/zinc/63/64/67/386636467.db2.gz ISEWYOPNEUDESX-OAHLLOKOSA-N 0 3 249.402 3.476 20 0 BGADHN CCC(C)(C)N(C)Cc1ccnn1C(C)C ZINC000337175895 168286551 /nfs/dbraw/zinc/28/65/51/168286551.db2.gz ILZHKYRADTZNRG-UHFFFAOYSA-N 0 3 223.364 3.084 20 0 BGADHN CCC1(CC)CCN(Cc2ccnn2C(C)C)C1 ZINC000337176853 386636439 /nfs/dbraw/zinc/63/64/39/386636439.db2.gz JPQNCJHUWNWVDM-UHFFFAOYSA-N 0 3 249.402 3.476 20 0 BGADHN CC(C)N(Cc1ccnn1C(C)C)C1CCC1 ZINC000337177176 386636547 /nfs/dbraw/zinc/63/65/47/386636547.db2.gz JGBZVPMDWMKDBG-UHFFFAOYSA-N 0 3 235.375 3.227 20 0 BGADHN CC[C@@]1(C)CCN(Cc2ccnn2C(C)C)C1 ZINC000337178831 171202896 /nfs/dbraw/zinc/20/28/96/171202896.db2.gz KYIJAOLRYRMCHF-AWEZNQCLSA-N 0 3 235.375 3.086 20 0 BGADHN CC[C@]1(C)CCN(Cc2ccnn2C(C)C)C1 ZINC000337178832 386635418 /nfs/dbraw/zinc/63/54/18/386635418.db2.gz KYIJAOLRYRMCHF-CQSZACIVSA-N 0 3 235.375 3.086 20 0 BGADHN CC[C@@H](C)CN(CC)Cc1ccnn1C(C)C ZINC000337178867 386636094 /nfs/dbraw/zinc/63/60/94/386636094.db2.gz LAXRNTJXZIIIOA-CYBMUJFWSA-N 0 3 237.391 3.332 20 0 BGADHN CC[C@H](C)CN(CC)Cc1ccnn1C(C)C ZINC000337178868 171278413 /nfs/dbraw/zinc/27/84/13/171278413.db2.gz LAXRNTJXZIIIOA-ZDUSSCGKSA-N 0 3 237.391 3.332 20 0 BGADHN CC1(C)CCN(Cc2cnc3ccccc3c2)C1 ZINC000337179508 350560786 /nfs/dbraw/zinc/56/07/86/350560786.db2.gz LPPCWKDDNCIWKJ-UHFFFAOYSA-N 0 3 240.350 3.467 20 0 BGADHN CC(C)n1nccc1CN(C)[C@@H]1CCCC[C@@H]1C ZINC000337179757 386636719 /nfs/dbraw/zinc/63/67/19/386636719.db2.gz AFARBPQDEVQARA-DZGCQCFKSA-N 0 3 249.402 3.475 20 0 BGADHN CC(C)n1nccc1CN(C)[C@H]1CCCC[C@H]1C ZINC000337179759 386635502 /nfs/dbraw/zinc/63/55/02/386635502.db2.gz AFARBPQDEVQARA-HIFRSBDPSA-N 0 3 249.402 3.475 20 0 BGADHN CC(C)n1nccc1CN(C)[C@@H]1CCCC[C@H]1C ZINC000337179760 386634989 /nfs/dbraw/zinc/63/49/89/386634989.db2.gz AFARBPQDEVQARA-UKRRQHHQSA-N 0 3 249.402 3.475 20 0 BGADHN CC(C)n1nccc1CN(C)[C@H]1CCCC[C@@H]1C ZINC000337179761 386635069 /nfs/dbraw/zinc/63/50/69/386635069.db2.gz AFARBPQDEVQARA-ZFWWWQNUSA-N 0 3 249.402 3.475 20 0 BGADHN CC(C)n1nccc1CN(CC1CC1)CC1CC1 ZINC000337179940 386636943 /nfs/dbraw/zinc/63/69/43/386636943.db2.gz LOAXHHWWBULQHE-UHFFFAOYSA-N 0 3 247.386 3.086 20 0 BGADHN CC(C)C[C@@H](C)CN(C)[C@H](C)c1cnn(C)c1 ZINC000337180022 386636604 /nfs/dbraw/zinc/63/66/04/386636604.db2.gz LSTFBCAFLGSGFL-CHWSQXEVSA-N 0 3 237.391 3.095 20 0 BGADHN CC(C)C[C@@H](C)CN(C)[C@@H](C)c1cnn(C)c1 ZINC000337180023 386636306 /nfs/dbraw/zinc/63/63/06/386636306.db2.gz LSTFBCAFLGSGFL-OLZOCXBDSA-N 0 3 237.391 3.095 20 0 BGADHN CC(C)C[C@H](C)CN(C)[C@H](C)c1cnn(C)c1 ZINC000337180024 191135968 /nfs/dbraw/zinc/13/59/68/191135968.db2.gz LSTFBCAFLGSGFL-QWHCGFSZSA-N 0 3 237.391 3.095 20 0 BGADHN CC(C)C[C@H](C)CN(C)[C@@H](C)c1cnn(C)c1 ZINC000337180025 188014893 /nfs/dbraw/zinc/01/48/93/188014893.db2.gz LSTFBCAFLGSGFL-STQMWFEESA-N 0 3 237.391 3.095 20 0 BGADHN CC(C)[C@@H]1CCCCN1Cc1ccnn1C(C)C ZINC000337180470 386640217 /nfs/dbraw/zinc/64/02/17/386640217.db2.gz MAWCRMXYXXAMPY-HNNXBMFYSA-N 0 3 249.402 3.475 20 0 BGADHN CC(C)[C@H]1CCCCN1Cc1ccnn1C(C)C ZINC000337180474 188184960 /nfs/dbraw/zinc/18/49/60/188184960.db2.gz MAWCRMXYXXAMPY-OAHLLOKOSA-N 0 3 249.402 3.475 20 0 BGADHN C[C@H](c1cnn(C)c1)N(C)CCCC(C)(C)C ZINC000337180485 177052196 /nfs/dbraw/zinc/05/21/96/177052196.db2.gz LZJKZMQMEFPNEX-GFCCVEGCSA-N 0 3 237.391 3.239 20 0 BGADHN C[C@@H](c1cnn(C)c1)N(C)CCCC(C)(C)C ZINC000337180486 176037130 /nfs/dbraw/zinc/03/71/30/176037130.db2.gz LZJKZMQMEFPNEX-LBPRGKRZSA-N 0 3 237.391 3.239 20 0 BGADHN CC(C)n1nccc1CN1C[C@@H](C)CCC[C@@H]1C ZINC000337181831 386652523 /nfs/dbraw/zinc/65/25/23/386652523.db2.gz MRSTUELGCBBGAR-KBPBESRZSA-N 0 3 249.402 3.475 20 0 BGADHN CC(C)n1nccc1CN1C[C@H](C)CCC[C@@H]1C ZINC000337181832 386651501 /nfs/dbraw/zinc/65/15/01/386651501.db2.gz MRSTUELGCBBGAR-KGLIPLIRSA-N 0 3 249.402 3.475 20 0 BGADHN CC(C)n1nccc1CN1C[C@@H](C)CCC[C@H]1C ZINC000337181833 386651758 /nfs/dbraw/zinc/65/17/58/386651758.db2.gz MRSTUELGCBBGAR-UONOGXRCSA-N 0 3 249.402 3.475 20 0 BGADHN CC(C)n1nccc1CN1C[C@H](C)CCC[C@H]1C ZINC000337181834 386652927 /nfs/dbraw/zinc/65/29/27/386652927.db2.gz MRSTUELGCBBGAR-ZIAGYGMSSA-N 0 3 249.402 3.475 20 0 BGADHN COC[C@@H](NC[C@H](C)CC(C)C)c1ccco1 ZINC000337183026 386653634 /nfs/dbraw/zinc/65/36/34/386653634.db2.gz BQRLKGBTBAGNRO-CHWSQXEVSA-N 0 3 239.359 3.239 20 0 BGADHN COC[C@H](NC[C@H](C)CC(C)C)c1ccco1 ZINC000337183027 174582065 /nfs/dbraw/zinc/58/20/65/174582065.db2.gz BQRLKGBTBAGNRO-OLZOCXBDSA-N 0 3 239.359 3.239 20 0 BGADHN COC[C@@H](NC[C@@H](C)CC(C)C)c1ccco1 ZINC000337183028 386654569 /nfs/dbraw/zinc/65/45/69/386654569.db2.gz BQRLKGBTBAGNRO-QWHCGFSZSA-N 0 3 239.359 3.239 20 0 BGADHN COC[C@H](NC[C@@H](C)CC(C)C)c1ccco1 ZINC000337183029 386655167 /nfs/dbraw/zinc/65/51/67/386655167.db2.gz BQRLKGBTBAGNRO-STQMWFEESA-N 0 3 239.359 3.239 20 0 BGADHN CC(C)n1nccc1CN1CCCC(C)(C)CC1 ZINC000337185567 386654752 /nfs/dbraw/zinc/65/47/52/386654752.db2.gz OLVSCRAQZMPFFL-UHFFFAOYSA-N 0 3 249.402 3.476 20 0 BGADHN CC(C)n1nccc1CN(C)[C@H](C)C1(C)CC1 ZINC000337186288 386653603 /nfs/dbraw/zinc/65/36/03/386653603.db2.gz OVDIGRRQHUUXCB-GFCCVEGCSA-N 0 3 235.375 3.084 20 0 BGADHN CC(C)n1nccc1CN(C)[C@@H](C)C1(C)CC1 ZINC000337186289 386655524 /nfs/dbraw/zinc/65/55/24/386655524.db2.gz OVDIGRRQHUUXCB-LBPRGKRZSA-N 0 3 235.375 3.084 20 0 BGADHN CC(C)n1nccc1CN1CC[C@H](C)C[C@H](C)C1 ZINC000337186775 386657180 /nfs/dbraw/zinc/65/71/80/386657180.db2.gz PNMHACORKXFFGX-KBPBESRZSA-N 0 3 249.402 3.332 20 0 BGADHN CC(C)n1nccc1CN1CC[C@@H](C)C[C@H](C)C1 ZINC000337186776 386657680 /nfs/dbraw/zinc/65/76/80/386657680.db2.gz PNMHACORKXFFGX-KGLIPLIRSA-N 0 3 249.402 3.332 20 0 BGADHN CC(C)n1nccc1CN1CC[C@H](C)C[C@@H](C)C1 ZINC000337186777 386658163 /nfs/dbraw/zinc/65/81/63/386658163.db2.gz PNMHACORKXFFGX-UONOGXRCSA-N 0 3 249.402 3.332 20 0 BGADHN CC(C)n1nccc1CN1CC[C@@H](C)C[C@@H](C)C1 ZINC000337186778 386658823 /nfs/dbraw/zinc/65/88/23/386658823.db2.gz PNMHACORKXFFGX-ZIAGYGMSSA-N 0 3 249.402 3.332 20 0 BGADHN CC(C)C[C@@H]1CCN(Cc2ccnn2C(C)C)C1 ZINC000337187352 191137141 /nfs/dbraw/zinc/13/71/41/191137141.db2.gz POCXUHYIMRTGBD-AWEZNQCLSA-N 0 3 249.402 3.332 20 0 BGADHN CC(C)C[C@H]1CCN(Cc2ccnn2C(C)C)C1 ZINC000337187353 386658152 /nfs/dbraw/zinc/65/81/52/386658152.db2.gz POCXUHYIMRTGBD-CQSZACIVSA-N 0 3 249.402 3.332 20 0 BGADHN CC(C)(C)CCCN1CCOCC12CCC2 ZINC000337190943 386642286 /nfs/dbraw/zinc/64/22/86/386642286.db2.gz SVTRFEMSFSQLFZ-UHFFFAOYSA-N 0 3 225.376 3.068 20 0 BGADHN CC(C)n1nccc1CN1CCCCC[C@H]1C ZINC000337192919 386645012 /nfs/dbraw/zinc/64/50/12/386645012.db2.gz UGUZGILUZGDIEL-CYBMUJFWSA-N 0 3 235.375 3.229 20 0 BGADHN CC(C)n1nccc1CN1CCCCC[C@@H]1C ZINC000337192920 386646484 /nfs/dbraw/zinc/64/64/84/386646484.db2.gz UGUZGILUZGDIEL-ZDUSSCGKSA-N 0 3 235.375 3.229 20 0 BGADHN CC(C)n1nccc1CN(C)[C@H](C)C1CCC1 ZINC000337195062 386646134 /nfs/dbraw/zinc/64/61/34/386646134.db2.gz WPUMSQIRHNHTFN-GFCCVEGCSA-N 0 3 235.375 3.084 20 0 BGADHN CC(C)n1nccc1CN(C)[C@@H](C)C1CCC1 ZINC000337195063 386645214 /nfs/dbraw/zinc/64/52/14/386645214.db2.gz WPUMSQIRHNHTFN-LBPRGKRZSA-N 0 3 235.375 3.084 20 0 BGADHN CC(C)C[C@@H](C)CN1CCC[C@@H]1c1ncc[nH]1 ZINC000337196400 386646755 /nfs/dbraw/zinc/64/67/55/386646755.db2.gz XLIMKHWWVJZZQI-CHWSQXEVSA-N 0 3 235.375 3.229 20 0 BGADHN CC(C)C[C@@H](C)CN1CCC[C@H]1c1ncc[nH]1 ZINC000337196401 386646257 /nfs/dbraw/zinc/64/62/57/386646257.db2.gz XLIMKHWWVJZZQI-OLZOCXBDSA-N 0 3 235.375 3.229 20 0 BGADHN CC(C)C[C@H](C)CN1CCC[C@@H]1c1ncc[nH]1 ZINC000337196402 386646610 /nfs/dbraw/zinc/64/66/10/386646610.db2.gz XLIMKHWWVJZZQI-QWHCGFSZSA-N 0 3 235.375 3.229 20 0 BGADHN CC(C)C[C@H](C)CN1CCC[C@H]1c1ncc[nH]1 ZINC000337196403 188361745 /nfs/dbraw/zinc/36/17/45/188361745.db2.gz XLIMKHWWVJZZQI-STQMWFEESA-N 0 3 235.375 3.229 20 0 BGADHN CC[C@@H]1CC[C@@H](C)N1Cc1ccnn1C(C)C ZINC000337197067 171037665 /nfs/dbraw/zinc/03/76/65/171037665.db2.gz YAVIGWOUVFAKGX-CHWSQXEVSA-N 0 3 235.375 3.227 20 0 BGADHN CC[C@H]1CC[C@@H](C)N1Cc1ccnn1C(C)C ZINC000337197068 386645491 /nfs/dbraw/zinc/64/54/91/386645491.db2.gz YAVIGWOUVFAKGX-OLZOCXBDSA-N 0 3 235.375 3.227 20 0 BGADHN CC[C@@H]1CC[C@H](C)N1Cc1ccnn1C(C)C ZINC000337197069 171054700 /nfs/dbraw/zinc/05/47/00/171054700.db2.gz YAVIGWOUVFAKGX-QWHCGFSZSA-N 0 3 235.375 3.227 20 0 BGADHN CC[C@H]1CC[C@H](C)N1Cc1ccnn1C(C)C ZINC000337197070 386645986 /nfs/dbraw/zinc/64/59/86/386645986.db2.gz YAVIGWOUVFAKGX-STQMWFEESA-N 0 3 235.375 3.227 20 0 BGADHN CC(C)n1nccc1CN1C[C@H](C)CC(C)(C)C1 ZINC000337199521 386648368 /nfs/dbraw/zinc/64/83/68/386648368.db2.gz DRJPOTPOLRGQKS-CYBMUJFWSA-N 0 3 249.402 3.332 20 0 BGADHN CC(C)n1nccc1CN1C[C@@H](C)CC(C)(C)C1 ZINC000337199522 386648877 /nfs/dbraw/zinc/64/88/77/386648877.db2.gz DRJPOTPOLRGQKS-ZDUSSCGKSA-N 0 3 249.402 3.332 20 0 BGADHN CC(C)n1nccc1CN1CCCC(C)(C)C1 ZINC000337199646 386649192 /nfs/dbraw/zinc/64/91/92/386649192.db2.gz ZAPBYNQNCVAVDW-UHFFFAOYSA-N 0 3 235.375 3.086 20 0 BGADHN CC[C@@H]1[C@@H](C)CCN1Cc1ccnn1C(C)C ZINC000337201288 171155399 /nfs/dbraw/zinc/15/53/99/171155399.db2.gz FVKPZLLEKRVVNK-GXTWGEPZSA-N 0 3 235.375 3.084 20 0 BGADHN CC[C@H]1[C@@H](C)CCN1Cc1ccnn1C(C)C ZINC000337201289 386648017 /nfs/dbraw/zinc/64/80/17/386648017.db2.gz FVKPZLLEKRVVNK-JSGCOSHPSA-N 0 3 235.375 3.084 20 0 BGADHN CC[C@H]1[C@H](C)CCN1Cc1ccnn1C(C)C ZINC000337201290 386648158 /nfs/dbraw/zinc/64/81/58/386648158.db2.gz FVKPZLLEKRVVNK-OCCSQVGLSA-N 0 3 235.375 3.084 20 0 BGADHN CC[C@@H]1[C@H](C)CCN1Cc1ccnn1C(C)C ZINC000337201291 171160431 /nfs/dbraw/zinc/16/04/31/171160431.db2.gz FVKPZLLEKRVVNK-TZMCWYRMSA-N 0 3 235.375 3.084 20 0 BGADHN CC(C)n1nccc1CN1CCCC[C@@H](C)C1 ZINC000337205356 386650771 /nfs/dbraw/zinc/65/07/71/386650771.db2.gz KKCHWKQSEOSCBL-CYBMUJFWSA-N 0 3 235.375 3.086 20 0 BGADHN CC(C)n1nccc1CN1CCCC[C@H](C)C1 ZINC000337205357 386652332 /nfs/dbraw/zinc/65/23/32/386652332.db2.gz KKCHWKQSEOSCBL-ZDUSSCGKSA-N 0 3 235.375 3.086 20 0 BGADHN COC[C@@H](NCCCC(C)(C)C)c1ccco1 ZINC000337207761 386667592 /nfs/dbraw/zinc/66/75/92/386667592.db2.gz PFQCDBPVUQLDNU-GFCCVEGCSA-N 0 3 239.359 3.383 20 0 BGADHN COC[C@H](NCCCC(C)(C)C)c1ccco1 ZINC000337207762 386667433 /nfs/dbraw/zinc/66/74/33/386667433.db2.gz PFQCDBPVUQLDNU-LBPRGKRZSA-N 0 3 239.359 3.383 20 0 BGADHN CC(C)n1nccc1CN1CC[C@@H](C(C)(C)C)C1 ZINC000337208193 386670548 /nfs/dbraw/zinc/67/05/48/386670548.db2.gz QBNBUAZGFFMRFX-CYBMUJFWSA-N 0 3 249.402 3.332 20 0 BGADHN CC(C)n1nccc1CN1CC[C@H](C(C)(C)C)C1 ZINC000337208194 386669722 /nfs/dbraw/zinc/66/97/22/386669722.db2.gz QBNBUAZGFFMRFX-ZDUSSCGKSA-N 0 3 249.402 3.332 20 0 BGADHN CC(C)n1nccc1CN(C)C[C@H]1CC=CCC1 ZINC000337208453 386671217 /nfs/dbraw/zinc/67/12/17/386671217.db2.gz QRKUCCIQPVXSCM-AWEZNQCLSA-N 0 3 247.386 3.252 20 0 BGADHN CC(C)n1nccc1CN(C)C[C@@H]1CC=CCC1 ZINC000337208454 386670513 /nfs/dbraw/zinc/67/05/13/386670513.db2.gz QRKUCCIQPVXSCM-CQSZACIVSA-N 0 3 247.386 3.252 20 0 BGADHN CC(C)COCCN1Cc2ccccc2C[C@@H]1C ZINC000337209105 187323447 /nfs/dbraw/zinc/32/34/47/187323447.db2.gz AIZUPNGPXCAIPK-AWEZNQCLSA-N 0 3 247.382 3.106 20 0 BGADHN CC(C)COCCN1Cc2ccccc2C[C@H]1C ZINC000337209106 191136725 /nfs/dbraw/zinc/13/67/25/191136725.db2.gz AIZUPNGPXCAIPK-CQSZACIVSA-N 0 3 247.382 3.106 20 0 BGADHN CC(C)n1nccc1CN1CC[C@@H](C)C(C)(C)C1 ZINC000337209880 386669387 /nfs/dbraw/zinc/66/93/87/386669387.db2.gz STNQNSNTKGGPEA-CYBMUJFWSA-N 0 3 249.402 3.332 20 0 BGADHN CC(C)n1nccc1CN1CC[C@H](C)C(C)(C)C1 ZINC000337209882 386669342 /nfs/dbraw/zinc/66/93/42/386669342.db2.gz STNQNSNTKGGPEA-ZDUSSCGKSA-N 0 3 249.402 3.332 20 0 BGADHN CSCCN(C)CCSC1CCCCC1 ZINC000337211564 386670650 /nfs/dbraw/zinc/67/06/50/386670650.db2.gz DSQZMTHQGNTUAI-UHFFFAOYSA-N 0 3 247.473 3.347 20 0 BGADHN CC(C)N(Cc1ccnn1C(C)C)CC1CCC1 ZINC000337212197 386670331 /nfs/dbraw/zinc/67/03/31/386670331.db2.gz VGMIMJFEOSNWFP-UHFFFAOYSA-N 0 3 249.402 3.475 20 0 BGADHN CC(C)n1nccc1CN1CCCCC(C)(C)C1 ZINC000337212689 386658366 /nfs/dbraw/zinc/65/83/66/386658366.db2.gz VPZNAOIBRRUZSY-UHFFFAOYSA-N 0 3 249.402 3.476 20 0 BGADHN CC(C)n1nccc1CN1C[C@H](C)C[C@H](C)[C@H]1C ZINC000337212701 167790367 /nfs/dbraw/zinc/79/03/67/167790367.db2.gz VQPPTBGPHVSSEX-HZSPNIEDSA-N 0 3 249.402 3.330 20 0 BGADHN CC(C)n1nccc1CN1C[C@H](C)C[C@@H](C)[C@@H]1C ZINC000337212702 386657642 /nfs/dbraw/zinc/65/76/42/386657642.db2.gz VQPPTBGPHVSSEX-MCIONIFRSA-N 0 3 249.402 3.330 20 0 BGADHN CC(C)n1nccc1CN1C[C@H](C)C[C@@H](C)[C@H]1C ZINC000337212703 386657231 /nfs/dbraw/zinc/65/72/31/386657231.db2.gz VQPPTBGPHVSSEX-MGPQQGTHSA-N 0 3 249.402 3.330 20 0 BGADHN CC(C)n1nccc1CN1C[C@H](C)C[C@H](C)[C@@H]1C ZINC000337212704 386657265 /nfs/dbraw/zinc/65/72/65/386657265.db2.gz VQPPTBGPHVSSEX-RDBSUJKOSA-N 0 3 249.402 3.330 20 0 BGADHN CC(C)(C)CCCN1CCc2ncsc2C1 ZINC000337216499 386660774 /nfs/dbraw/zinc/66/07/74/386660774.db2.gz ZLWLPZXURMCCPE-UHFFFAOYSA-N 0 3 238.400 3.328 20 0 BGADHN CCN(CCC1CC1)Cc1ccnn1C(C)C ZINC000337216537 386661529 /nfs/dbraw/zinc/66/15/29/386661529.db2.gz ZNRKQZYSCKWHSP-UHFFFAOYSA-N 0 3 235.375 3.086 20 0 BGADHN CC(C)n1nccc1CN(C)[C@@H]1CC[C@@H](C)C1 ZINC000337219204 386660689 /nfs/dbraw/zinc/66/06/89/386660689.db2.gz BHPBYRVJXSCDBQ-CHWSQXEVSA-N 0 3 235.375 3.084 20 0 BGADHN CC(C)n1nccc1CN(C)[C@H]1CC[C@@H](C)C1 ZINC000337219205 386659774 /nfs/dbraw/zinc/65/97/74/386659774.db2.gz BHPBYRVJXSCDBQ-OLZOCXBDSA-N 0 3 235.375 3.084 20 0 BGADHN CC(C)n1nccc1CN(C)[C@@H]1CC[C@H](C)C1 ZINC000337219206 386660615 /nfs/dbraw/zinc/66/06/15/386660615.db2.gz BHPBYRVJXSCDBQ-QWHCGFSZSA-N 0 3 235.375 3.084 20 0 BGADHN CC(C)n1nccc1CN(C)[C@H]1CC[C@H](C)C1 ZINC000337219207 386660223 /nfs/dbraw/zinc/66/02/23/386660223.db2.gz BHPBYRVJXSCDBQ-STQMWFEESA-N 0 3 235.375 3.084 20 0 BGADHN CC(C)n1nccc1CN(C)C1(C)CCCC1 ZINC000337225479 386662939 /nfs/dbraw/zinc/66/29/39/386662939.db2.gz FJMBBGJIUZDTRL-UHFFFAOYSA-N 0 3 235.375 3.229 20 0 BGADHN CC(C)n1nccc1CN(C)[C@@H]1CCC(C)(C)C1 ZINC000337229313 386680161 /nfs/dbraw/zinc/68/01/61/386680161.db2.gz HOANJPJSKBYUQK-CYBMUJFWSA-N 0 3 249.402 3.475 20 0 BGADHN CC(C)n1nccc1CN(C)[C@H]1CCC(C)(C)C1 ZINC000337229316 386679155 /nfs/dbraw/zinc/67/91/55/386679155.db2.gz HOANJPJSKBYUQK-ZDUSSCGKSA-N 0 3 249.402 3.475 20 0 BGADHN CC(C)CCCN1CCCC[C@H]1c1ccnn1C ZINC000337236860 386684648 /nfs/dbraw/zinc/68/46/48/386684648.db2.gz CNINKJYXCJANAZ-HNNXBMFYSA-N 0 3 249.402 3.383 20 0 BGADHN CC(C)CCCN1CCCC[C@@H]1c1ccnn1C ZINC000337236861 386684609 /nfs/dbraw/zinc/68/46/09/386684609.db2.gz CNINKJYXCJANAZ-OAHLLOKOSA-N 0 3 249.402 3.383 20 0 BGADHN CCN(Cc1ccnn1C(C)C)CC1CCC1 ZINC000337244227 350565295 /nfs/dbraw/zinc/56/52/95/350565295.db2.gz NYGIOMBVAIWGCY-UHFFFAOYSA-N 0 3 235.375 3.086 20 0 BGADHN CC(C)COCCN1CCc2ccccc2[C@@H]1C ZINC000337245575 386675597 /nfs/dbraw/zinc/67/55/97/386675597.db2.gz IOTUZCFODMCJBS-AWEZNQCLSA-N 0 3 247.382 3.278 20 0 BGADHN CC(C)COCCN1CCc2ccccc2[C@H]1C ZINC000337245576 187324053 /nfs/dbraw/zinc/32/40/53/187324053.db2.gz IOTUZCFODMCJBS-CQSZACIVSA-N 0 3 247.382 3.278 20 0 BGADHN CC(C)COCCN1CCCc2ccccc2C1 ZINC000337253998 188361964 /nfs/dbraw/zinc/36/19/64/188361964.db2.gz QCIHQJLNIFZLFB-UHFFFAOYSA-N 0 3 247.382 3.107 20 0 BGADHN CN(Cc1cnc2ccccc2c1)[C@H]1CC1(C)C ZINC000337262841 386695036 /nfs/dbraw/zinc/69/50/36/386695036.db2.gz WSRVDJGKXFXFOX-HNNXBMFYSA-N 0 3 240.350 3.465 20 0 BGADHN CN(Cc1cnc2ccccc2c1)[C@@H]1CC1(C)C ZINC000337262842 386695146 /nfs/dbraw/zinc/69/51/46/386695146.db2.gz WSRVDJGKXFXFOX-OAHLLOKOSA-N 0 3 240.350 3.465 20 0 BGADHN CC(C)n1nccc1CN(CC1CC1)C1CCC1 ZINC000337263976 386694945 /nfs/dbraw/zinc/69/49/45/386694945.db2.gz XKCZKJJEPVXSQP-UHFFFAOYSA-N 0 3 247.386 3.229 20 0 BGADHN CC(C)OC[C@@H](C)NCc1ccc(C2CC2)cc1 ZINC000337271689 167256332 /nfs/dbraw/zinc/25/63/32/167256332.db2.gz BTXWLNWPTVPARF-CYBMUJFWSA-N 0 3 247.382 3.467 20 0 BGADHN CC(C)OC[C@H](C)NCc1ccc(C2CC2)cc1 ZINC000337271691 167264749 /nfs/dbraw/zinc/26/47/49/167264749.db2.gz BTXWLNWPTVPARF-ZDUSSCGKSA-N 0 3 247.382 3.467 20 0 BGADHN Cc1cc([C@H](C)NC[C@H]2CCC[C@H](C)C2)no1 ZINC000337278461 178250455 /nfs/dbraw/zinc/25/04/55/178250455.db2.gz HMVLIKLVWLMHEL-DRZSPHRISA-N 0 3 236.359 3.460 20 0 BGADHN Cc1cc([C@H](C)NC[C@@H]2CCC[C@@H](C)C2)no1 ZINC000337278463 178248799 /nfs/dbraw/zinc/24/87/99/178248799.db2.gz HMVLIKLVWLMHEL-KGYLQXTDSA-N 0 3 236.359 3.460 20 0 BGADHN Cc1cc([C@H](C)NC[C@@H]2CCC[C@H](C)C2)no1 ZINC000337278465 178249919 /nfs/dbraw/zinc/24/99/19/178249919.db2.gz HMVLIKLVWLMHEL-WCFLWFBJSA-N 0 3 236.359 3.460 20 0 BGADHN Cc1cc([C@H](C)NC[C@H]2CCC[C@@H](C)C2)no1 ZINC000337278467 178250119 /nfs/dbraw/zinc/25/01/19/178250119.db2.gz HMVLIKLVWLMHEL-WXHSDQCUSA-N 0 3 236.359 3.460 20 0 BGADHN Cc1cc([C@H](C)NCC2CCC(C)CC2)no1 ZINC000337290655 178246949 /nfs/dbraw/zinc/24/69/49/178246949.db2.gz MFMKPRYHGPAWNE-YDGIUTOCSA-N 0 3 236.359 3.460 20 0 BGADHN Cc1cc([C@@H](C)NCC2CCC(C)CC2)no1 ZINC000337290656 178222823 /nfs/dbraw/zinc/22/28/23/178222823.db2.gz MFMKPRYHGPAWNE-YXMLORGKSA-N 0 3 236.359 3.460 20 0 BGADHN CCN(CCOCC(C)C)Cc1ccccc1 ZINC000337297635 385589313 /nfs/dbraw/zinc/58/93/13/385589313.db2.gz KRHOINXJYKSJBK-UHFFFAOYSA-N 0 3 235.371 3.181 20 0 BGADHN CCOCCN(C)CCSC1CCCCC1 ZINC000337306743 170389008 /nfs/dbraw/zinc/38/90/08/170389008.db2.gz VKYXTHZGMWASON-UHFFFAOYSA-N 0 3 245.432 3.021 20 0 BGADHN c1coc(CNCCc2cccc3[nH]ccc32)c1 ZINC000337308519 385593555 /nfs/dbraw/zinc/59/35/55/385593555.db2.gz SXBHBFQYPQIUEX-UHFFFAOYSA-N 0 3 240.306 3.093 20 0 BGADHN CC[C@H](C)N1CC(c2nc3ccccc3s2)C1 ZINC000337309333 171317860 /nfs/dbraw/zinc/31/78/60/171317860.db2.gz ZCESFJASSCHJMU-JTQLQIEISA-N 0 3 246.379 3.494 20 0 BGADHN CC[C@@H](C)N1CC(c2nc3ccccc3s2)C1 ZINC000337309334 385593567 /nfs/dbraw/zinc/59/35/67/385593567.db2.gz ZCESFJASSCHJMU-SNVBAGLBSA-N 0 3 246.379 3.494 20 0 BGADHN CCOc1ccc2c(c1)CCN([C@H](C)CC)C2 ZINC000337310739 385601071 /nfs/dbraw/zinc/60/10/71/385601071.db2.gz BHUDDSUTPIDUEH-GFCCVEGCSA-N 0 3 233.355 3.242 20 0 BGADHN CCOc1ccc2c(c1)CCN([C@@H](C)CC)C2 ZINC000337310741 385601539 /nfs/dbraw/zinc/60/15/39/385601539.db2.gz BHUDDSUTPIDUEH-LBPRGKRZSA-N 0 3 233.355 3.242 20 0 BGADHN CCC[C@@H](C)N(C)Cc1cccc(C)n1 ZINC000337318747 169364545 /nfs/dbraw/zinc/36/45/45/169364545.db2.gz NBLAUDPQADIOOE-GFCCVEGCSA-N 0 3 206.333 3.010 20 0 BGADHN CCC[C@H](C)N(C)Cc1cccc(C)n1 ZINC000337318748 385594809 /nfs/dbraw/zinc/59/48/09/385594809.db2.gz NBLAUDPQADIOOE-LBPRGKRZSA-N 0 3 206.333 3.010 20 0 BGADHN CC(C)OC[C@@H](C)NCc1cccc2cc[nH]c21 ZINC000337322143 167257231 /nfs/dbraw/zinc/25/72/31/167257231.db2.gz ZTHSNYZGLVBLEA-GFCCVEGCSA-N 0 3 246.354 3.071 20 0 BGADHN CC(C)OC[C@H](C)NCc1cccc2cc[nH]c21 ZINC000337322144 167265419 /nfs/dbraw/zinc/26/54/19/167265419.db2.gz ZTHSNYZGLVBLEA-LBPRGKRZSA-N 0 3 246.354 3.071 20 0 BGADHN CC[C@@H](C)N(C)Cc1cc(C)ccc1OC ZINC000337323000 385595928 /nfs/dbraw/zinc/59/59/28/385595928.db2.gz DPZIPQLOYNMMMX-GFCCVEGCSA-N 0 3 221.344 3.234 20 0 BGADHN CC[C@H](C)N(C)Cc1cc(C)ccc1OC ZINC000337323001 171308610 /nfs/dbraw/zinc/30/86/10/171308610.db2.gz DPZIPQLOYNMMMX-LBPRGKRZSA-N 0 3 221.344 3.234 20 0 BGADHN CCc1ccccc1CN[C@H](C)COC(C)C ZINC000337331489 385601233 /nfs/dbraw/zinc/60/12/33/385601233.db2.gz HHBIBBJIUIOWKP-CYBMUJFWSA-N 0 3 235.371 3.152 20 0 BGADHN CCc1ccccc1CN[C@@H](C)COC(C)C ZINC000337331490 385601451 /nfs/dbraw/zinc/60/14/51/385601451.db2.gz HHBIBBJIUIOWKP-ZDUSSCGKSA-N 0 3 235.371 3.152 20 0 BGADHN C(CN1CCSCC1)SC1CCCCC1 ZINC000337334497 385607859 /nfs/dbraw/zinc/60/78/59/385607859.db2.gz KJSQLEFIPYIYRC-UHFFFAOYSA-N 0 3 245.457 3.101 20 0 BGADHN Cc1ccc(CN[C@@H](C)COC(C)C)c(C)c1 ZINC000337335699 385607699 /nfs/dbraw/zinc/60/76/99/385607699.db2.gz LQBRPVLIYKQDJE-AWEZNQCLSA-N 0 3 235.371 3.207 20 0 BGADHN Cc1ccc(CN[C@H](C)COC(C)C)c(C)c1 ZINC000337335700 385607401 /nfs/dbraw/zinc/60/74/01/385607401.db2.gz LQBRPVLIYKQDJE-CQSZACIVSA-N 0 3 235.371 3.207 20 0 BGADHN CC(C)OC[C@@H](C)NCc1coc2ccccc12 ZINC000337337117 167257823 /nfs/dbraw/zinc/25/78/23/167257823.db2.gz MSDHIKMZNUEGMF-GFCCVEGCSA-N 0 3 247.338 3.336 20 0 BGADHN CC(C)OC[C@H](C)NCc1coc2ccccc12 ZINC000337337118 167266128 /nfs/dbraw/zinc/26/61/28/167266128.db2.gz MSDHIKMZNUEGMF-LBPRGKRZSA-N 0 3 247.338 3.336 20 0 BGADHN Cc1ccc(CN[C@H](C)COC(C)C)cc1F ZINC000337338947 385608772 /nfs/dbraw/zinc/60/87/72/385608772.db2.gz OEXUNBQVPBLGPY-GFCCVEGCSA-N 0 3 239.334 3.037 20 0 BGADHN Cc1ccc(CN[C@@H](C)COC(C)C)cc1F ZINC000337338948 385610581 /nfs/dbraw/zinc/61/05/81/385610581.db2.gz OEXUNBQVPBLGPY-LBPRGKRZSA-N 0 3 239.334 3.037 20 0 BGADHN Cc1cccc(CN(C)CCOCC(C)C)c1 ZINC000337340234 179067993 /nfs/dbraw/zinc/06/79/93/179067993.db2.gz SMADZVFKHXTHJW-UHFFFAOYSA-N 0 3 235.371 3.099 20 0 BGADHN CCN(CCOC)CCSC1CCCCC1 ZINC000337341358 385609813 /nfs/dbraw/zinc/60/98/13/385609813.db2.gz UQFJBAIPQADJMJ-UHFFFAOYSA-N 0 3 245.432 3.021 20 0 BGADHN Cc1cc([C@@H](C)N[C@@H](C)COC(C)C)c(C)o1 ZINC000337341905 178230725 /nfs/dbraw/zinc/23/07/25/178230725.db2.gz QTOQTQSTPFNJTL-CMPLNLGQSA-N 0 3 239.359 3.361 20 0 BGADHN Cc1cc([C@H](C)N[C@@H](C)COC(C)C)c(C)o1 ZINC000337341906 178251559 /nfs/dbraw/zinc/25/15/59/178251559.db2.gz QTOQTQSTPFNJTL-JQWIXIFHSA-N 0 3 239.359 3.361 20 0 BGADHN Cc1cc([C@H](C)N[C@H](C)COC(C)C)c(C)o1 ZINC000337341907 178256634 /nfs/dbraw/zinc/25/66/34/178256634.db2.gz QTOQTQSTPFNJTL-PWSUYJOCSA-N 0 3 239.359 3.361 20 0 BGADHN Cc1cc([C@@H](C)N[C@H](C)COC(C)C)c(C)o1 ZINC000337341908 178232301 /nfs/dbraw/zinc/23/23/01/178232301.db2.gz QTOQTQSTPFNJTL-ZYHUDNBSSA-N 0 3 239.359 3.361 20 0 BGADHN Cc1ccc(CN(C)CCOCC(C)C)cc1 ZINC000337344095 385613273 /nfs/dbraw/zinc/61/32/73/385613273.db2.gz YIBRQMMERJAOKF-UHFFFAOYSA-N 0 3 235.371 3.099 20 0 BGADHN Cc1cc(CN[C@H](C)COC(C)C)ccc1F ZINC000337349122 178037430 /nfs/dbraw/zinc/03/74/30/178037430.db2.gz ZSTXFDIFROEAGO-GFCCVEGCSA-N 0 3 239.334 3.037 20 0 BGADHN Cc1cc(CN[C@@H](C)COC(C)C)ccc1F ZINC000337349123 178029520 /nfs/dbraw/zinc/02/95/20/178029520.db2.gz ZSTXFDIFROEAGO-LBPRGKRZSA-N 0 3 239.334 3.037 20 0 BGADHN c1nc(-c2ccccc2)sc1CNC1CCC1 ZINC000337349293 183383221 /nfs/dbraw/zinc/38/32/21/183383221.db2.gz PEQWLKZVEOGNTR-UHFFFAOYSA-N 0 3 244.363 3.452 20 0 BGADHN COc1cccc(CNC2CCC2)c1OC(C)C ZINC000337351277 175263389 /nfs/dbraw/zinc/26/33/89/175263389.db2.gz VNHDDZYPEWSYJQ-UHFFFAOYSA-N 0 3 249.354 3.125 20 0 BGADHN CC[C@H](C)C[C@@H](C)N[C@H](C)c1cc(C)n(C)n1 ZINC000337362964 171295304 /nfs/dbraw/zinc/29/53/04/171295304.db2.gz ADHVVKGSOFRTSJ-DMDPSCGWSA-N 0 3 237.391 3.204 20 0 BGADHN CC[C@H](C)C[C@H](C)N[C@H](C)c1cc(C)n(C)n1 ZINC000337363213 171297965 /nfs/dbraw/zinc/29/79/65/171297965.db2.gz ADHVVKGSOFRTSJ-GMXVVIOVSA-N 0 3 237.391 3.204 20 0 BGADHN CC[C@H](C)C[C@H](C)N[C@@H](C)c1cc(C)n(C)n1 ZINC000337363215 171298637 /nfs/dbraw/zinc/29/86/37/171298637.db2.gz ADHVVKGSOFRTSJ-GVXVVHGQSA-N 0 3 237.391 3.204 20 0 BGADHN CC[C@H](C)C[C@@H](C)N[C@@H](C)c1cc(C)n(C)n1 ZINC000337363216 171295173 /nfs/dbraw/zinc/29/51/73/171295173.db2.gz ADHVVKGSOFRTSJ-LOWVWBTDSA-N 0 3 237.391 3.204 20 0 BGADHN COc1ccc(CN[C@H]2CCC23CCC3)c(F)c1 ZINC000337364499 175112082 /nfs/dbraw/zinc/11/20/82/175112082.db2.gz AVKBDGZYPNIBCA-AWEZNQCLSA-N 0 3 249.329 3.257 20 0 BGADHN COc1ccc(CN[C@@H]2CCC23CCC3)c(F)c1 ZINC000337364500 188363115 /nfs/dbraw/zinc/36/31/15/188363115.db2.gz AVKBDGZYPNIBCA-CQSZACIVSA-N 0 3 249.329 3.257 20 0 BGADHN Fc1cc(F)cc(CN[C@@H]2CCC23CCC3)c1 ZINC000337378522 385628971 /nfs/dbraw/zinc/62/89/71/385628971.db2.gz BULCNXVUCWHKLL-CYBMUJFWSA-N 0 3 237.293 3.387 20 0 BGADHN Fc1cc(F)cc(CN[C@H]2CCC23CCC3)c1 ZINC000337378523 385630501 /nfs/dbraw/zinc/63/05/01/385630501.db2.gz BULCNXVUCWHKLL-ZDUSSCGKSA-N 0 3 237.293 3.387 20 0 BGADHN Cc1cc([C@H](C)NC[C@H]2CCCC[C@@H]2C)nn1C ZINC000337383843 178250263 /nfs/dbraw/zinc/25/02/63/178250263.db2.gz FAGSYDBSUNTNFJ-FPMFFAJLSA-N 0 3 249.402 3.205 20 0 BGADHN Cc1cc([C@H](C)NC[C@H]2CCCC[C@H]2C)nn1C ZINC000337383844 178250421 /nfs/dbraw/zinc/25/04/21/178250421.db2.gz FAGSYDBSUNTNFJ-KWCYVHTRSA-N 0 3 249.402 3.205 20 0 BGADHN Cc1cc([C@H](C)NC[C@@H]2CCCC[C@@H]2C)nn1C ZINC000337383845 178248414 /nfs/dbraw/zinc/24/84/14/178248414.db2.gz FAGSYDBSUNTNFJ-UBHSHLNASA-N 0 3 249.402 3.205 20 0 BGADHN Cc1cc([C@H](C)NC[C@@H]2CCCC[C@H]2C)nn1C ZINC000337383846 178249453 /nfs/dbraw/zinc/24/94/53/178249453.db2.gz FAGSYDBSUNTNFJ-XBFCOCLRSA-N 0 3 249.402 3.205 20 0 BGADHN Cc1cc(F)cc2c1CN(CCC1CC1)CC2 ZINC000337388005 178080182 /nfs/dbraw/zinc/08/01/82/178080182.db2.gz GBGBZBSUOBXJDJ-UHFFFAOYSA-N 0 3 233.330 3.292 20 0 BGADHN Cc1ccccc1[C@]1(F)CCN(C(C)C)C1 ZINC000337389879 179352394 /nfs/dbraw/zinc/35/23/94/179352394.db2.gz GWARMOQTWKOROV-AWEZNQCLSA-N 0 3 221.319 3.274 20 0 BGADHN Cc1ccccc1[C@@]1(F)CCN(C(C)C)C1 ZINC000337389880 179333457 /nfs/dbraw/zinc/33/34/57/179333457.db2.gz GWARMOQTWKOROV-CQSZACIVSA-N 0 3 221.319 3.274 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CC[C@H](C)[C@@H](C)C2)nn1C ZINC000337392404 178255585 /nfs/dbraw/zinc/25/55/85/178255585.db2.gz BAKKFNCVFNGGQX-AUZPSNTRSA-N 0 3 249.402 3.204 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CC[C@@H](C)[C@H](C)C2)nn1C ZINC000337392407 178254842 /nfs/dbraw/zinc/25/48/42/178254842.db2.gz BAKKFNCVFNGGQX-MHDGFBEUSA-N 0 3 249.402 3.204 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CC[C@@H](C)[C@@H](C)C2)nn1C ZINC000337392898 178256323 /nfs/dbraw/zinc/25/63/23/178256323.db2.gz BAKKFNCVFNGGQX-UVLXDEKHSA-N 0 3 249.402 3.204 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CC[C@H](C)[C@H](C)C2)nn1C ZINC000337392899 178256438 /nfs/dbraw/zinc/25/64/38/178256438.db2.gz BAKKFNCVFNGGQX-UZGDPCLZSA-N 0 3 249.402 3.204 20 0 BGADHN c1sc(CN[C@@H]2CCC23CCC3)nc1C1CC1 ZINC000337393790 385634506 /nfs/dbraw/zinc/63/45/06/385634506.db2.gz BJOJOAIEJZDRLB-GFCCVEGCSA-N 0 3 248.395 3.443 20 0 BGADHN c1sc(CN[C@H]2CCC23CCC3)nc1C1CC1 ZINC000337393791 385634265 /nfs/dbraw/zinc/63/42/65/385634265.db2.gz BJOJOAIEJZDRLB-LBPRGKRZSA-N 0 3 248.395 3.443 20 0 BGADHN CC[C@H](O)CCCN[C@@H](C)c1cc(C)c(C)o1 ZINC000337395278 171556085 /nfs/dbraw/zinc/55/60/85/171556085.db2.gz BPPBXAFNLVKGBV-AAEUAGOBSA-N 0 3 239.359 3.098 20 0 BGADHN CC[C@@H](O)CCCN[C@H](C)c1cc(C)c(C)o1 ZINC000337395279 350579853 /nfs/dbraw/zinc/57/98/53/350579853.db2.gz BPPBXAFNLVKGBV-DGCLKSJQSA-N 0 3 239.359 3.098 20 0 BGADHN CC[C@@H](O)CCCN[C@@H](C)c1cc(C)c(C)o1 ZINC000337395280 350579938 /nfs/dbraw/zinc/57/99/38/350579938.db2.gz BPPBXAFNLVKGBV-WCQYABFASA-N 0 3 239.359 3.098 20 0 BGADHN CC[C@H](O)CCCN[C@H](C)c1cc(C)c(C)o1 ZINC000337395281 385633648 /nfs/dbraw/zinc/63/36/48/385633648.db2.gz BPPBXAFNLVKGBV-YPMHNXCESA-N 0 3 239.359 3.098 20 0 BGADHN Cc1cc([C@@H](C)NCC2C(C)(C)C2(C)C)nn1C ZINC000337396835 178221865 /nfs/dbraw/zinc/22/18/65/178221865.db2.gz BXMPZLQSXCJFIS-LLVKDONJSA-N 0 3 249.402 3.061 20 0 BGADHN Cc1cc([C@H](C)NCC2C(C)(C)C2(C)C)nn1C ZINC000337396837 178247108 /nfs/dbraw/zinc/24/71/08/178247108.db2.gz BXMPZLQSXCJFIS-NSHDSACASA-N 0 3 249.402 3.061 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CCC[C@H](C)[C@H]2C)nn1C ZINC000337408619 178254234 /nfs/dbraw/zinc/25/42/34/178254234.db2.gz UOADZHRCYBXRBZ-AHLTXXRQSA-N 0 3 249.402 3.204 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CCC[C@H](C)[C@@H]2C)nn1C ZINC000337408620 178253720 /nfs/dbraw/zinc/25/37/20/178253720.db2.gz UOADZHRCYBXRBZ-DOERSZECSA-N 0 3 249.402 3.204 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CCC[C@@H](C)[C@H]2C)nn1C ZINC000337408621 178253235 /nfs/dbraw/zinc/25/32/35/178253235.db2.gz UOADZHRCYBXRBZ-RUZUBIRVSA-N 0 3 249.402 3.204 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CCC[C@@H](C)[C@@H]2C)nn1C ZINC000337408622 178253546 /nfs/dbraw/zinc/25/35/46/178253546.db2.gz UOADZHRCYBXRBZ-VZZFWQQMSA-N 0 3 249.402 3.204 20 0 BGADHN CCC1CCC(N[C@@H](C)c2cc(C)n(C)n2)CC1 ZINC000337409836 385643416 /nfs/dbraw/zinc/64/34/16/385643416.db2.gz VJRDKZBSQKAITH-HSBZDZAISA-N 0 3 249.402 3.348 20 0 BGADHN CCC1CCC(N[C@H](C)c2cc(C)n(C)n2)CC1 ZINC000337409837 385642022 /nfs/dbraw/zinc/64/20/22/385642022.db2.gz VJRDKZBSQKAITH-IYXRBSQSSA-N 0 3 249.402 3.348 20 0 BGADHN Cc1cc([C@@H](C)NC2CCC(C)(C)CC2)nn1C ZINC000337418411 178223459 /nfs/dbraw/zinc/22/34/59/178223459.db2.gz DXNVHAOFOIZTHP-GFCCVEGCSA-N 0 3 249.402 3.348 20 0 BGADHN Cc1cc([C@H](C)NC2CCC(C)(C)CC2)nn1C ZINC000337418412 178245083 /nfs/dbraw/zinc/24/50/83/178245083.db2.gz DXNVHAOFOIZTHP-LBPRGKRZSA-N 0 3 249.402 3.348 20 0 BGADHN CCc1noc(CC)c1CN[C@H]1CCC12CCC2 ZINC000337418445 172083104 /nfs/dbraw/zinc/08/31/04/172083104.db2.gz DYONGXGFKHXKDO-AWEZNQCLSA-N 0 3 248.370 3.222 20 0 BGADHN CCc1noc(CC)c1CN[C@@H]1CCC12CCC2 ZINC000337418446 172083027 /nfs/dbraw/zinc/08/30/27/172083027.db2.gz DYONGXGFKHXKDO-CQSZACIVSA-N 0 3 248.370 3.222 20 0 BGADHN CO[C@@H]1CC[C@@H](N[C@@H](C)c2cc(C)c(C)o2)C1 ZINC000337419045 385653290 /nfs/dbraw/zinc/65/32/90/385653290.db2.gz FCNACOXTOYLMFS-CYZMBNFOSA-N 0 3 237.343 3.115 20 0 BGADHN CO[C@@H]1CC[C@H](N[C@H](C)c2cc(C)c(C)o2)C1 ZINC000337419046 385653258 /nfs/dbraw/zinc/65/32/58/385653258.db2.gz FCNACOXTOYLMFS-KGYLQXTDSA-N 0 3 237.343 3.115 20 0 BGADHN CO[C@@H]1CC[C@@H](N[C@H](C)c2cc(C)c(C)o2)C1 ZINC000337419047 385652349 /nfs/dbraw/zinc/65/23/49/385652349.db2.gz FCNACOXTOYLMFS-RAIGVLPGSA-N 0 3 237.343 3.115 20 0 BGADHN CO[C@@H]1CC[C@H](N[C@@H](C)c2cc(C)c(C)o2)C1 ZINC000337419048 385653272 /nfs/dbraw/zinc/65/32/72/385653272.db2.gz FCNACOXTOYLMFS-WCFLWFBJSA-N 0 3 237.343 3.115 20 0 BGADHN C[C@@H](N[C@@H]1CC1(C)C)c1cnn(C2CCCC2)c1 ZINC000337420206 385652743 /nfs/dbraw/zinc/65/27/43/385652743.db2.gz FKRZPCGHVFKLGV-BXUZGUMPSA-N 0 3 247.386 3.447 20 0 BGADHN C[C@H](N[C@H]1CC1(C)C)c1cnn(C2CCCC2)c1 ZINC000337420207 385653388 /nfs/dbraw/zinc/65/33/88/385653388.db2.gz FKRZPCGHVFKLGV-FZMZJTMJSA-N 0 3 247.386 3.447 20 0 BGADHN C[C@@H](N[C@H]1CC1(C)C)c1cnn(C2CCCC2)c1 ZINC000337420208 385652982 /nfs/dbraw/zinc/65/29/82/385652982.db2.gz FKRZPCGHVFKLGV-RISCZKNCSA-N 0 3 247.386 3.447 20 0 BGADHN C[C@H](N[C@@H]1CC1(C)C)c1cnn(C2CCCC2)c1 ZINC000337420209 385653449 /nfs/dbraw/zinc/65/34/49/385653449.db2.gz FKRZPCGHVFKLGV-SMDDNHRTSA-N 0 3 247.386 3.447 20 0 BGADHN CCOC(C)(C)CN[C@H](C)c1cc(C)c(C)o1 ZINC000337421524 170314170 /nfs/dbraw/zinc/31/41/70/170314170.db2.gz FSLVDCZXVCAGQP-LLVKDONJSA-N 0 3 239.359 3.362 20 0 BGADHN CCOC(C)(C)CN[C@@H](C)c1cc(C)c(C)o1 ZINC000337421525 170313436 /nfs/dbraw/zinc/31/34/36/170313436.db2.gz FSLVDCZXVCAGQP-NSHDSACASA-N 0 3 239.359 3.362 20 0 BGADHN C[C@H](NC1CC(C)C1)c1cnn(C2CCCC2)c1 ZINC000337421587 168146379 /nfs/dbraw/zinc/14/63/79/168146379.db2.gz FUHKDHVXZHYHGF-LXVYMNJGSA-N 0 3 247.386 3.447 20 0 BGADHN C[C@@H](NC1CC(C)C1)c1cnn(C2CCCC2)c1 ZINC000337421592 168148566 /nfs/dbraw/zinc/14/85/66/168148566.db2.gz FUHKDHVXZHYHGF-MBHSVXNSSA-N 0 3 247.386 3.447 20 0 BGADHN CCC1(CN[C@H](C)c2cc(C)n(C)n2)CCCC1 ZINC000337422295 385653955 /nfs/dbraw/zinc/65/39/55/385653955.db2.gz FYSDKTUZGWLATQ-CYBMUJFWSA-N 0 3 249.402 3.350 20 0 BGADHN CCC1(CN[C@@H](C)c2cc(C)n(C)n2)CCCC1 ZINC000337422301 385653974 /nfs/dbraw/zinc/65/39/74/385653974.db2.gz FYSDKTUZGWLATQ-ZDUSSCGKSA-N 0 3 249.402 3.350 20 0 BGADHN Cc1cc(F)cc2c1CN(CC(C)C)CC2 ZINC000337424325 178080747 /nfs/dbraw/zinc/08/07/47/178080747.db2.gz VZBXMYDLKNLXRP-UHFFFAOYSA-N 0 3 221.319 3.148 20 0 BGADHN Cc1cc([C@H](C)NC2C[C@@H](C)C[C@H](C)C2)nn1C ZINC000337431768 178245335 /nfs/dbraw/zinc/24/53/35/178245335.db2.gz VDTCILJOYQMVJP-GVXVVHGQSA-N 0 3 249.402 3.204 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2C[C@H](C)C[C@H](C)C2)nn1C ZINC000337431769 178255733 /nfs/dbraw/zinc/25/57/33/178255733.db2.gz VDTCILJOYQMVJP-UZGDPCLZSA-N 0 3 249.402 3.204 20 0 BGADHN Cc1cc([C@@H](C)N[C@H]2C[C@H](C)C[C@H](C)C2)nn1C ZINC000337431771 178231589 /nfs/dbraw/zinc/23/15/89/178231589.db2.gz VDTCILJOYQMVJP-WVWOOGAGSA-N 0 3 249.402 3.204 20 0 BGADHN Cc1cc([C@H](C)NC2C[C@H](C)C[C@@H](C)C2)nn1C ZINC000337431773 178245823 /nfs/dbraw/zinc/24/58/23/178245823.db2.gz VDTCILJOYQMVJP-WZRBSPASSA-N 0 3 249.402 3.204 20 0 BGADHN Cc1cc([C@@H](C)NCC2(C)CCCCC2)nn1C ZINC000337446265 178222537 /nfs/dbraw/zinc/22/25/37/178222537.db2.gz GTBIPGWSJYCORL-CYBMUJFWSA-N 0 3 249.402 3.350 20 0 BGADHN Cc1cc([C@H](C)NCC2(C)CCCCC2)nn1C ZINC000337446266 178246827 /nfs/dbraw/zinc/24/68/27/178246827.db2.gz GTBIPGWSJYCORL-ZDUSSCGKSA-N 0 3 249.402 3.350 20 0 BGADHN Cc1cc([C@H](C)NC2[C@@H](C)CCC[C@@H]2C)nn1C ZINC000337449996 178245302 /nfs/dbraw/zinc/24/53/02/178245302.db2.gz HPOLCMVXBYJJQC-GVXVVHGQSA-N 0 3 249.402 3.204 20 0 BGADHN Cc1cc([C@@H](C)N[C@H]2[C@H](C)CCC[C@@H]2C)nn1C ZINC000337449997 178231727 /nfs/dbraw/zinc/23/17/27/178231727.db2.gz HPOLCMVXBYJJQC-OICBVUGWSA-N 0 3 249.402 3.204 20 0 BGADHN Cc1cc([C@H](C)NC2[C@H](C)CCC[C@H]2C)nn1C ZINC000337449998 178245739 /nfs/dbraw/zinc/24/57/39/178245739.db2.gz HPOLCMVXBYJJQC-WZRBSPASSA-N 0 3 249.402 3.204 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2[C@H](C)CCC[C@@H]2C)nn1C ZINC000337449999 178255043 /nfs/dbraw/zinc/25/50/43/178255043.db2.gz HPOLCMVXBYJJQC-YODMDTAWSA-N 0 3 249.402 3.204 20 0 BGADHN CCC[C@@H](C)N(C)Cc1cnccc1C ZINC000337450110 169365719 /nfs/dbraw/zinc/36/57/19/169365719.db2.gz FAJPJNAAXFFKRZ-GFCCVEGCSA-N 0 3 206.333 3.010 20 0 BGADHN CCC[C@H](C)N(C)Cc1cnccc1C ZINC000337450111 385666289 /nfs/dbraw/zinc/66/62/89/385666289.db2.gz FAJPJNAAXFFKRZ-LBPRGKRZSA-N 0 3 206.333 3.010 20 0 BGADHN CC[C@@H](C)N1CCc2cc(F)cc(C)c2C1 ZINC000337451424 385666802 /nfs/dbraw/zinc/66/68/02/385666802.db2.gz KVABPWBEZQZVNY-LLVKDONJSA-N 0 3 221.319 3.291 20 0 BGADHN CC[C@H](C)N1CCc2cc(F)cc(C)c2C1 ZINC000337451425 171320648 /nfs/dbraw/zinc/32/06/48/171320648.db2.gz KVABPWBEZQZVNY-NSHDSACASA-N 0 3 221.319 3.291 20 0 BGADHN Cc1cc([C@@H](C)NCCCC2CCCC2)nn1C ZINC000337452233 178224626 /nfs/dbraw/zinc/22/46/26/178224626.db2.gz IFTFGIAGMNWALC-CYBMUJFWSA-N 0 3 249.402 3.350 20 0 BGADHN Cc1cc([C@H](C)NCCCC2CCCC2)nn1C ZINC000337452235 178247579 /nfs/dbraw/zinc/24/75/79/178247579.db2.gz IFTFGIAGMNWALC-ZDUSSCGKSA-N 0 3 249.402 3.350 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CCC[C@H](C)CC2)nn1C ZINC000337452747 178253576 /nfs/dbraw/zinc/25/35/76/178253576.db2.gz IKMYQHCFDHTPOW-FPMFFAJLSA-N 0 3 249.402 3.348 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CCC[C@@H](C)CC2)nn1C ZINC000337452749 178254492 /nfs/dbraw/zinc/25/44/92/178254492.db2.gz IKMYQHCFDHTPOW-KWCYVHTRSA-N 0 3 249.402 3.348 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2CCC[C@H](C)CC2)nn1C ZINC000337452751 178258511 /nfs/dbraw/zinc/25/85/11/178258511.db2.gz IKMYQHCFDHTPOW-UBHSHLNASA-N 0 3 249.402 3.348 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2CCC[C@@H](C)CC2)nn1C ZINC000337452753 178257717 /nfs/dbraw/zinc/25/77/17/178257717.db2.gz IKMYQHCFDHTPOW-XBFCOCLRSA-N 0 3 249.402 3.348 20 0 BGADHN Cc1cc([C@@H](C)NCC(C)(C)C(C)C)nn1C ZINC000337460617 178221739 /nfs/dbraw/zinc/22/17/39/178221739.db2.gz KFQKBORNFPDWRH-GFCCVEGCSA-N 0 3 237.391 3.061 20 0 BGADHN Cc1cc([C@H](C)NCC(C)(C)C(C)C)nn1C ZINC000337460618 178245902 /nfs/dbraw/zinc/24/59/02/178245902.db2.gz KFQKBORNFPDWRH-LBPRGKRZSA-N 0 3 237.391 3.061 20 0 BGADHN Cc1cc([C@@H](C)N[C@@H]2CCCC(C)(C)C2)nn1C ZINC000337461109 178231657 /nfs/dbraw/zinc/23/16/57/178231657.db2.gz KKODLULJQFMBCS-CHWSQXEVSA-N 0 3 249.402 3.348 20 0 BGADHN Cc1cc([C@@H](C)N[C@H]2CCCC(C)(C)C2)nn1C ZINC000337461110 178232232 /nfs/dbraw/zinc/23/22/32/178232232.db2.gz KKODLULJQFMBCS-OLZOCXBDSA-N 0 3 249.402 3.348 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CCCC(C)(C)C2)nn1C ZINC000337461111 178253459 /nfs/dbraw/zinc/25/34/59/178253459.db2.gz KKODLULJQFMBCS-QWHCGFSZSA-N 0 3 249.402 3.348 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2CCCC(C)(C)C2)nn1C ZINC000337461112 178258734 /nfs/dbraw/zinc/25/87/34/178258734.db2.gz KKODLULJQFMBCS-STQMWFEESA-N 0 3 249.402 3.348 20 0 BGADHN CCC[C@@H](C)N(C)Cc1cnc(C(C)C)nc1 ZINC000337462144 169365082 /nfs/dbraw/zinc/36/50/82/169365082.db2.gz KXDHNQJGXUQGKP-GFCCVEGCSA-N 0 3 235.375 3.220 20 0 BGADHN CCC[C@H](C)N(C)Cc1cnc(C(C)C)nc1 ZINC000337462147 385671622 /nfs/dbraw/zinc/67/16/22/385671622.db2.gz KXDHNQJGXUQGKP-LBPRGKRZSA-N 0 3 235.375 3.220 20 0 BGADHN Cc1ccc2c(c1)CCN(CCOCC(C)C)C2 ZINC000337462811 385672708 /nfs/dbraw/zinc/67/27/08/385672708.db2.gz LCSXTPQVAFNSKU-UHFFFAOYSA-N 0 3 247.382 3.026 20 0 BGADHN Cc1cccc2c1CN(CCOCC(C)C)CC2 ZINC000337463838 179217530 /nfs/dbraw/zinc/21/75/30/179217530.db2.gz LQDPDZSPDOQMNN-UHFFFAOYSA-N 0 3 247.382 3.026 20 0 BGADHN Cc1cc([C@@H](C)NCCc2ccco2)oc1C ZINC000337471019 178227883 /nfs/dbraw/zinc/22/78/83/178227883.db2.gz NPXKDXIQBATPFU-LLVKDONJSA-N 0 3 233.311 3.383 20 0 BGADHN Cc1cc([C@H](C)NCCc2ccco2)oc1C ZINC000337471020 178249399 /nfs/dbraw/zinc/24/93/99/178249399.db2.gz NPXKDXIQBATPFU-NSHDSACASA-N 0 3 233.311 3.383 20 0 BGADHN COc1cnccc1[C@@H](C)N[C@@H]1CCC12CCC2 ZINC000337472104 385678045 /nfs/dbraw/zinc/67/80/45/385678045.db2.gz NZKFUZABYYBMFT-BXUZGUMPSA-N 0 3 246.354 3.074 20 0 BGADHN COc1cnccc1[C@H](C)N[C@H]1CCC12CCC2 ZINC000337472105 188015111 /nfs/dbraw/zinc/01/51/11/188015111.db2.gz NZKFUZABYYBMFT-FZMZJTMJSA-N 0 3 246.354 3.074 20 0 BGADHN COc1cnccc1[C@@H](C)N[C@H]1CCC12CCC2 ZINC000337472106 187325162 /nfs/dbraw/zinc/32/51/62/187325162.db2.gz NZKFUZABYYBMFT-RISCZKNCSA-N 0 3 246.354 3.074 20 0 BGADHN COc1cnccc1[C@H](C)N[C@@H]1CCC12CCC2 ZINC000337472107 385676894 /nfs/dbraw/zinc/67/68/94/385676894.db2.gz NZKFUZABYYBMFT-SMDDNHRTSA-N 0 3 246.354 3.074 20 0 BGADHN C[C@@H](NC1CCC1)c1cnn(C2CCCC2)c1 ZINC000337472814 385677723 /nfs/dbraw/zinc/67/77/23/385677723.db2.gz ODJMSPBAGKCHIK-LLVKDONJSA-N 0 3 233.359 3.201 20 0 BGADHN C[C@H](NC1CCC1)c1cnn(C2CCCC2)c1 ZINC000337472815 385677735 /nfs/dbraw/zinc/67/77/35/385677735.db2.gz ODJMSPBAGKCHIK-NSHDSACASA-N 0 3 233.359 3.201 20 0 BGADHN COc1cc(C)ccc1CN[C@H]1CCC12CCC2 ZINC000337473463 385676020 /nfs/dbraw/zinc/67/60/20/385676020.db2.gz OJEATVGSAFMEMG-HNNXBMFYSA-N 0 3 245.366 3.426 20 0 BGADHN COc1cc(C)ccc1CN[C@@H]1CCC12CCC2 ZINC000337473464 385676065 /nfs/dbraw/zinc/67/60/65/385676065.db2.gz OJEATVGSAFMEMG-OAHLLOKOSA-N 0 3 245.366 3.426 20 0 BGADHN Cc1cc(F)cc2c1CN(CC1CCC1)CC2 ZINC000337474725 178080874 /nfs/dbraw/zinc/08/08/74/178080874.db2.gz XLOBYKVVZTWFLP-UHFFFAOYSA-N 0 3 233.330 3.292 20 0 BGADHN Fc1ccc2c(c1)[C@@H](N[C@@H]1CCC13CCC3)CO2 ZINC000337477032 385680166 /nfs/dbraw/zinc/68/01/66/385680166.db2.gz PIMFTCQXSFAOGS-GXTWGEPZSA-N 0 3 247.313 3.182 20 0 BGADHN Fc1ccc2c(c1)[C@@H](N[C@H]1CCC13CCC3)CO2 ZINC000337477034 385679869 /nfs/dbraw/zinc/67/98/69/385679869.db2.gz PIMFTCQXSFAOGS-JSGCOSHPSA-N 0 3 247.313 3.182 20 0 BGADHN Fc1ccc2c(c1)[C@H](N[C@H]1CCC13CCC3)CO2 ZINC000337477037 385680443 /nfs/dbraw/zinc/68/04/43/385680443.db2.gz PIMFTCQXSFAOGS-OCCSQVGLSA-N 0 3 247.313 3.182 20 0 BGADHN Fc1ccc2c(c1)[C@H](N[C@@H]1CCC13CCC3)CO2 ZINC000337477039 385679170 /nfs/dbraw/zinc/67/91/70/385679170.db2.gz PIMFTCQXSFAOGS-TZMCWYRMSA-N 0 3 247.313 3.182 20 0 BGADHN CCCC1(CN[C@H](C)c2cc(C)n(C)n2)CCC1 ZINC000337488433 592536810 /nfs/dbraw/zinc/53/68/10/592536810.db2.gz UNNGCKBBWOUTLW-CYBMUJFWSA-N 0 3 249.402 3.350 20 0 BGADHN CCCC1(CN[C@@H](C)c2cc(C)n(C)n2)CCC1 ZINC000337488434 168601746 /nfs/dbraw/zinc/60/17/46/168601746.db2.gz UNNGCKBBWOUTLW-ZDUSSCGKSA-N 0 3 249.402 3.350 20 0 BGADHN Cc1cc([C@@H](C)NC[C@@]2(C)CCCO2)oc1C ZINC000337490963 178227950 /nfs/dbraw/zinc/22/79/50/178227950.db2.gz WCKPESPTXJLJOQ-BXUZGUMPSA-N 0 3 237.343 3.116 20 0 BGADHN Cc1cc([C@H](C)NC[C@]2(C)CCCO2)oc1C ZINC000337490964 178249794 /nfs/dbraw/zinc/24/97/94/178249794.db2.gz WCKPESPTXJLJOQ-FZMZJTMJSA-N 0 3 237.343 3.116 20 0 BGADHN Cc1cc([C@@H](C)NC[C@]2(C)CCCO2)oc1C ZINC000337490965 178228915 /nfs/dbraw/zinc/22/89/15/178228915.db2.gz WCKPESPTXJLJOQ-RISCZKNCSA-N 0 3 237.343 3.116 20 0 BGADHN Cc1cc([C@H](C)NC[C@@]2(C)CCCO2)oc1C ZINC000337490966 178250404 /nfs/dbraw/zinc/25/04/04/178250404.db2.gz WCKPESPTXJLJOQ-SMDDNHRTSA-N 0 3 237.343 3.116 20 0 BGADHN COC1(CN[C@H](C)c2cc(C)c(C)o2)CCC1 ZINC000337491646 174004902 /nfs/dbraw/zinc/00/49/02/174004902.db2.gz WONYSZZFEWONCI-LLVKDONJSA-N 0 3 237.343 3.116 20 0 BGADHN COC1(CN[C@@H](C)c2cc(C)c(C)o2)CCC1 ZINC000337491647 174004080 /nfs/dbraw/zinc/00/40/80/174004080.db2.gz WONYSZZFEWONCI-NSHDSACASA-N 0 3 237.343 3.116 20 0 BGADHN Cc1cc([C@@H](C)NCC2(CC(C)C)CC2)nn1C ZINC000337492076 178223446 /nfs/dbraw/zinc/22/34/46/178223446.db2.gz WVJUBWUCUYYKAA-CYBMUJFWSA-N 0 3 249.402 3.205 20 0 BGADHN Cc1cc([C@H](C)NCC2(CC(C)C)CC2)nn1C ZINC000337492078 178246289 /nfs/dbraw/zinc/24/62/89/178246289.db2.gz WVJUBWUCUYYKAA-ZDUSSCGKSA-N 0 3 249.402 3.205 20 0 BGADHN CCCN(CC)Cc1ccc(F)cc1F ZINC000337493653 169129107 /nfs/dbraw/zinc/12/91/07/169129107.db2.gz CAWYWVCOPQKPIM-UHFFFAOYSA-N 0 3 213.271 3.197 20 0 BGADHN CCc1oc2ccccc2c1CN(C)CC ZINC000337494122 172112915 /nfs/dbraw/zinc/11/29/15/172112915.db2.gz CHXWFKUYBOJSLA-UHFFFAOYSA-N 0 3 217.312 3.447 20 0 BGADHN CC[C@H]1CCCN1Cc1cn2c(cccc2C)n1 ZINC000337495345 385685064 /nfs/dbraw/zinc/68/50/64/385685064.db2.gz ICLDDSHMAMSOBY-AWEZNQCLSA-N 0 3 243.354 3.017 20 0 BGADHN CC[C@@H]1CCCN1Cc1cn2c(cccc2C)n1 ZINC000337495346 350589015 /nfs/dbraw/zinc/58/90/15/350589015.db2.gz ICLDDSHMAMSOBY-CQSZACIVSA-N 0 3 243.354 3.017 20 0 BGADHN CCN(C)Cc1ccc(OC(F)(F)F)cc1 ZINC000337499849 385691978 /nfs/dbraw/zinc/69/19/78/385691978.db2.gz JLQUDTLQDOYQIL-UHFFFAOYSA-N 0 3 233.233 3.037 20 0 BGADHN CCN(CCOC)[C@H](C)c1ccc(Cl)cc1 ZINC000337499870 385692869 /nfs/dbraw/zinc/69/28/69/385692869.db2.gz JMOJHAKQEHOQLY-LLVKDONJSA-N 0 3 241.762 3.369 20 0 BGADHN CCN(CCOC)[C@@H](C)c1ccc(Cl)cc1 ZINC000337499872 385691952 /nfs/dbraw/zinc/69/19/52/385691952.db2.gz JMOJHAKQEHOQLY-NSHDSACASA-N 0 3 241.762 3.369 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CC[C@H](C)C[C@@H]2C)nn1C ZINC000337502215 178256287 /nfs/dbraw/zinc/25/62/87/178256287.db2.gz BWOLEXNRYSUCQA-AUZPSNTRSA-N 0 3 249.402 3.204 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CC[C@@H](C)C[C@H]2C)nn1C ZINC000337502216 178255544 /nfs/dbraw/zinc/25/55/44/178255544.db2.gz BWOLEXNRYSUCQA-MHDGFBEUSA-N 0 3 249.402 3.204 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CC[C@@H](C)C[C@@H]2C)nn1C ZINC000337502217 178255607 /nfs/dbraw/zinc/25/56/07/178255607.db2.gz BWOLEXNRYSUCQA-UVLXDEKHSA-N 0 3 249.402 3.204 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CC[C@H](C)C[C@H]2C)nn1C ZINC000337502218 178255086 /nfs/dbraw/zinc/25/50/86/178255086.db2.gz BWOLEXNRYSUCQA-UZGDPCLZSA-N 0 3 249.402 3.204 20 0 BGADHN Cc1cccc2nc(CN(C)[C@H](C)C(C)C)cn21 ZINC000337506458 179229297 /nfs/dbraw/zinc/22/92/97/179229297.db2.gz QPOUMQWTDXPFDO-CYBMUJFWSA-N 0 3 245.370 3.119 20 0 BGADHN Cc1cccc2nc(CN(C)[C@@H](C)C(C)C)cn21 ZINC000337506459 179229184 /nfs/dbraw/zinc/22/91/84/179229184.db2.gz QPOUMQWTDXPFDO-ZDUSSCGKSA-N 0 3 245.370 3.119 20 0 BGADHN CCN(Cc1ccc(F)cc1F)CC(C)C ZINC000337513540 350591592 /nfs/dbraw/zinc/59/15/92/350591592.db2.gz WZUWILUBLRSTEK-UHFFFAOYSA-N 0 3 227.298 3.443 20 0 BGADHN CCN(CCOC)[C@H](C)c1cccc(Cl)c1 ZINC000337514080 385691906 /nfs/dbraw/zinc/69/19/06/385691906.db2.gz XPCSVXMOMCWAQD-LLVKDONJSA-N 0 3 241.762 3.369 20 0 BGADHN CCN(CCOC)[C@@H](C)c1cccc(Cl)c1 ZINC000337514081 385693367 /nfs/dbraw/zinc/69/33/67/385693367.db2.gz XPCSVXMOMCWAQD-NSHDSACASA-N 0 3 241.762 3.369 20 0 BGADHN Fc1ccc(CN[C@@H]2CCC23CCC3)c(F)c1 ZINC000337514247 385693404 /nfs/dbraw/zinc/69/34/04/385693404.db2.gz KTHDCLYNSXMFSU-CYBMUJFWSA-N 0 3 237.293 3.387 20 0 BGADHN Fc1ccc(CN[C@H]2CCC23CCC3)c(F)c1 ZINC000337514248 385692974 /nfs/dbraw/zinc/69/29/74/385692974.db2.gz KTHDCLYNSXMFSU-ZDUSSCGKSA-N 0 3 237.293 3.387 20 0 BGADHN CCN(CCOC)Cc1ccc2ccccc2c1 ZINC000337514635 385693077 /nfs/dbraw/zinc/69/30/77/385693077.db2.gz XYGYYNHGWDVKHB-UHFFFAOYSA-N 0 3 243.350 3.308 20 0 BGADHN CCCCOCCN[C@H](C)c1cc(C)c(C)o1 ZINC000337520635 350593092 /nfs/dbraw/zinc/59/30/92/350593092.db2.gz PFNFFPKSMHLAIO-GFCCVEGCSA-N 0 3 239.359 3.364 20 0 BGADHN CCCCOCCN[C@@H](C)c1cc(C)c(C)o1 ZINC000337520636 350593147 /nfs/dbraw/zinc/59/31/47/350593147.db2.gz PFNFFPKSMHLAIO-LBPRGKRZSA-N 0 3 239.359 3.364 20 0 BGADHN Cc1cc([C@H](C)NC[C@@H]2CCC[C@H](C)C2)nn1C ZINC000337528076 178250058 /nfs/dbraw/zinc/25/00/58/178250058.db2.gz SMCQUGAOTRIORW-FPMFFAJLSA-N 0 3 249.402 3.205 20 0 BGADHN Cc1cc([C@H](C)NC[C@@H]2CCC[C@@H](C)C2)nn1C ZINC000337528078 178247865 /nfs/dbraw/zinc/24/78/65/178247865.db2.gz SMCQUGAOTRIORW-KWCYVHTRSA-N 0 3 249.402 3.205 20 0 BGADHN Cc1cc([C@H](C)NC[C@H]2CCC[C@H](C)C2)nn1C ZINC000337528080 178250835 /nfs/dbraw/zinc/25/08/35/178250835.db2.gz SMCQUGAOTRIORW-UBHSHLNASA-N 0 3 249.402 3.205 20 0 BGADHN Cc1cc([C@H](C)NC[C@H]2CCC[C@@H](C)C2)nn1C ZINC000337528082 178250522 /nfs/dbraw/zinc/25/05/22/178250522.db2.gz SMCQUGAOTRIORW-XBFCOCLRSA-N 0 3 249.402 3.205 20 0 BGADHN C[C@H](N[C@H]1CCC[C@H]1OC(F)F)c1ccco1 ZINC000337529821 385697783 /nfs/dbraw/zinc/69/77/83/385697783.db2.gz CKHWXTYEFOQXAH-ATZCPNFKSA-N 0 3 245.269 3.091 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@H]1OC(F)F)c1ccco1 ZINC000337529822 385697659 /nfs/dbraw/zinc/69/76/59/385697659.db2.gz CKHWXTYEFOQXAH-IQJOONFLSA-N 0 3 245.269 3.091 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@@H]1OC(F)F)c1ccco1 ZINC000337529825 385697741 /nfs/dbraw/zinc/69/77/41/385697741.db2.gz CKHWXTYEFOQXAH-NGZCFLSTSA-N 0 3 245.269 3.091 20 0 BGADHN C[C@H](N[C@H]1CCC[C@@H]1OC(F)F)c1ccco1 ZINC000337529827 385697203 /nfs/dbraw/zinc/69/72/03/385697203.db2.gz CKHWXTYEFOQXAH-QXEWZRGKSA-N 0 3 245.269 3.091 20 0 BGADHN Cc1cc([C@H](C)N[C@@H](C)CCC(C)C)nn1C ZINC000337530781 178252587 /nfs/dbraw/zinc/25/25/87/178252587.db2.gz VAMNKGDTKQIQTL-AAEUAGOBSA-N 0 3 237.391 3.204 20 0 BGADHN Cc1cc([C@@H](C)N[C@H](C)CCC(C)C)nn1C ZINC000337530782 178233225 /nfs/dbraw/zinc/23/32/25/178233225.db2.gz VAMNKGDTKQIQTL-DGCLKSJQSA-N 0 3 237.391 3.204 20 0 BGADHN Cc1cc([C@@H](C)N[C@@H](C)CCC(C)C)nn1C ZINC000337530783 178230623 /nfs/dbraw/zinc/23/06/23/178230623.db2.gz VAMNKGDTKQIQTL-WCQYABFASA-N 0 3 237.391 3.204 20 0 BGADHN Cc1cc([C@H](C)N[C@H](C)CCC(C)C)nn1C ZINC000337530784 178256085 /nfs/dbraw/zinc/25/60/85/178256085.db2.gz VAMNKGDTKQIQTL-YPMHNXCESA-N 0 3 237.391 3.204 20 0 BGADHN C[C@@H]1CCC[C@@H]1N[C@H]1COc2ccc(F)cc21 ZINC000337531635 176133068 /nfs/dbraw/zinc/13/30/68/176133068.db2.gz DKDGMUVNSMOWRK-ICCXJUOJSA-N 0 3 235.302 3.037 20 0 BGADHN C[C@@H]1CCC[C@@H]1N[C@@H]1COc2ccc(F)cc21 ZINC000337531636 176132165 /nfs/dbraw/zinc/13/21/65/176132165.db2.gz DKDGMUVNSMOWRK-JIMOISOXSA-N 0 3 235.302 3.037 20 0 BGADHN C[C@@H]1CCC[C@H]1N[C@@H]1COc2ccc(F)cc21 ZINC000337531637 176151512 /nfs/dbraw/zinc/15/15/12/176151512.db2.gz DKDGMUVNSMOWRK-OASPWFOLSA-N 0 3 235.302 3.037 20 0 BGADHN C[C@@H]1CCC[C@H]1N[C@H]1COc2ccc(F)cc21 ZINC000337531638 176151337 /nfs/dbraw/zinc/15/13/37/176151337.db2.gz DKDGMUVNSMOWRK-WQAKAFBOSA-N 0 3 235.302 3.037 20 0 BGADHN Cc1cc([C@@H](C)NCC2CCC(C)CC2)nn1C ZINC000337532734 178222971 /nfs/dbraw/zinc/22/29/71/178222971.db2.gz WFLYRJXXHCXRHY-HRDQMINSSA-N 0 3 249.402 3.205 20 0 BGADHN Cc1cc([C@H](C)NCC2CCC(C)CC2)nn1C ZINC000337532739 178246280 /nfs/dbraw/zinc/24/62/80/178246280.db2.gz WFLYRJXXHCXRHY-QRMWWUJWSA-N 0 3 249.402 3.205 20 0 BGADHN Fc1ccc(F)c(CN[C@@H]2CCC23CCC3)c1 ZINC000337538714 385700263 /nfs/dbraw/zinc/70/02/63/385700263.db2.gz ZVGVGFINEZGYGS-CYBMUJFWSA-N 0 3 237.293 3.387 20 0 BGADHN Fc1ccc(F)c(CN[C@H]2CCC23CCC3)c1 ZINC000337538717 385700219 /nfs/dbraw/zinc/70/02/19/385700219.db2.gz ZVGVGFINEZGYGS-ZDUSSCGKSA-N 0 3 237.293 3.387 20 0 BGADHN Cc1cc([C@@H](C)N[C@H]2C[C@H](C)C[C@H](C)C2)no1 ZINC000337544098 178230970 /nfs/dbraw/zinc/23/09/70/178230970.db2.gz KLGCJJDREINMOJ-DNIRFERGSA-N 0 3 236.359 3.458 20 0 BGADHN Cc1cc([C@H](C)NC2C[C@H](C)C[C@@H](C)C2)no1 ZINC000337544099 178245784 /nfs/dbraw/zinc/24/57/84/178245784.db2.gz KLGCJJDREINMOJ-FOGDFJRCSA-N 0 3 236.359 3.458 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2C[C@H](C)C[C@H](C)C2)no1 ZINC000337544100 178255789 /nfs/dbraw/zinc/25/57/89/178255789.db2.gz KLGCJJDREINMOJ-JULQROHOSA-N 0 3 236.359 3.458 20 0 BGADHN Cc1cc([C@H](C)NC2C[C@@H](C)C[C@H](C)C2)no1 ZINC000337544399 178245032 /nfs/dbraw/zinc/24/50/32/178245032.db2.gz KLGCJJDREINMOJ-NHCYSSNCSA-N 0 3 236.359 3.458 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CCC[C@@H](C)[C@H]2C)no1 ZINC000337550923 178254213 /nfs/dbraw/zinc/25/42/13/178254213.db2.gz OEYNTYJJQFIHST-FOUMNBMASA-N 0 3 236.359 3.458 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CCC[C@@H](C)[C@@H]2C)no1 ZINC000337550924 178254415 /nfs/dbraw/zinc/25/44/15/178254415.db2.gz OEYNTYJJQFIHST-LPTSXCQYSA-N 0 3 236.359 3.458 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CCC[C@H](C)[C@@H]2C)no1 ZINC000337550925 178252990 /nfs/dbraw/zinc/25/29/90/178252990.db2.gz OEYNTYJJQFIHST-XYJRDEOASA-N 0 3 236.359 3.458 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CCC[C@H](C)[C@H]2C)no1 ZINC000337550926 178253938 /nfs/dbraw/zinc/25/39/38/178253938.db2.gz OEYNTYJJQFIHST-ZBAXXZLZSA-N 0 3 236.359 3.458 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CC[C@H](C)[C@H](C)C2)no1 ZINC000337561506 178255908 /nfs/dbraw/zinc/25/59/08/178255908.db2.gz VPKMJXMDYJMDCK-JULQROHOSA-N 0 3 236.359 3.458 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CC[C@@H](C)[C@@H](C)C2)no1 ZINC000337561507 178256039 /nfs/dbraw/zinc/25/60/39/178256039.db2.gz VPKMJXMDYJMDCK-RSLMWUCJSA-N 0 3 236.359 3.458 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CC[C@@H](C)[C@H](C)C2)no1 ZINC000337561508 178256002 /nfs/dbraw/zinc/25/60/02/178256002.db2.gz VPKMJXMDYJMDCK-VCDKRKBESA-N 0 3 236.359 3.458 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CC[C@H](C)[C@@H](C)C2)no1 ZINC000337561509 178256279 /nfs/dbraw/zinc/25/62/79/178256279.db2.gz VPKMJXMDYJMDCK-XRRVDJEJSA-N 0 3 236.359 3.458 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CC[C@H](C)C[C@H]2C)no1 ZINC000337566576 178255664 /nfs/dbraw/zinc/25/56/64/178255664.db2.gz YNCGQZHJDWYROB-JULQROHOSA-N 0 3 236.359 3.458 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CC[C@@H](C)C[C@@H]2C)no1 ZINC000337566577 178256543 /nfs/dbraw/zinc/25/65/43/178256543.db2.gz YNCGQZHJDWYROB-RSLMWUCJSA-N 0 3 236.359 3.458 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CC[C@@H](C)C[C@H]2C)no1 ZINC000337566578 178254803 /nfs/dbraw/zinc/25/48/03/178254803.db2.gz YNCGQZHJDWYROB-VCDKRKBESA-N 0 3 236.359 3.458 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CC[C@H](C)C[C@@H]2C)no1 ZINC000337566579 178255761 /nfs/dbraw/zinc/25/57/61/178255761.db2.gz YNCGQZHJDWYROB-XRRVDJEJSA-N 0 3 236.359 3.458 20 0 BGADHN COC[C@H](C)N(C)Cc1ccc(CC(C)C)cc1 ZINC000337616483 385730658 /nfs/dbraw/zinc/73/06/58/385730658.db2.gz BGTKPZCMWUCEAU-AWEZNQCLSA-N 0 3 249.398 3.352 20 0 BGADHN COC[C@@H](C)N(C)Cc1ccc(CC(C)C)cc1 ZINC000337616485 385730026 /nfs/dbraw/zinc/73/00/26/385730026.db2.gz BGTKPZCMWUCEAU-CQSZACIVSA-N 0 3 249.398 3.352 20 0 BGADHN CCC1(C)CCN(Cc2c(C)noc2C)CC1 ZINC000337625356 385735647 /nfs/dbraw/zinc/73/56/47/385735647.db2.gz AAFHWJSTJVKJIG-UHFFFAOYSA-N 0 3 236.359 3.304 20 0 BGADHN CC(C)Cc1ccc(CN2CCCOCC2)cc1 ZINC000337647069 350601709 /nfs/dbraw/zinc/60/17/09/350601709.db2.gz AETADJHTKYRHMP-UHFFFAOYSA-N 0 3 247.382 3.107 20 0 BGADHN Fc1ccc(F)c2c1CC[C@H]2NCCC1CC1 ZINC000337649922 583575678 /nfs/dbraw/zinc/57/56/78/583575678.db2.gz AEWMMTSPTNCNEY-CYBMUJFWSA-N 0 3 237.293 3.342 20 0 BGADHN Fc1ccc(F)c2c1CC[C@@H]2NCCC1CC1 ZINC000337649923 537857351 /nfs/dbraw/zinc/85/73/51/537857351.db2.gz AEWMMTSPTNCNEY-ZDUSSCGKSA-N 0 3 237.293 3.342 20 0 BGADHN C[C@H]1CCN(Cc2ccccc2OC(F)F)C1 ZINC000337672962 177165707 /nfs/dbraw/zinc/16/57/07/177165707.db2.gz DWDGDWAZWHKWNO-JTQLQIEISA-N 0 3 241.281 3.130 20 0 BGADHN C[C@@H]1CCN(Cc2ccccc2OC(F)F)C1 ZINC000337672963 176176509 /nfs/dbraw/zinc/17/65/09/176176509.db2.gz DWDGDWAZWHKWNO-SNVBAGLBSA-N 0 3 241.281 3.130 20 0 BGADHN CCC1(C)CCN(Cc2cnc(C)s2)CC1 ZINC000337673722 385748865 /nfs/dbraw/zinc/74/88/65/385748865.db2.gz DZGABSPSPNXXLR-UHFFFAOYSA-N 0 3 238.400 3.464 20 0 BGADHN C[C@H](c1ccc(F)c(F)c1)N1CC[C@@H](C)C1 ZINC000337676905 176180557 /nfs/dbraw/zinc/18/05/57/176180557.db2.gz FZTVDRFDEQXLIN-NXEZZACHSA-N 0 3 225.282 3.368 20 0 BGADHN C[C@@H](c1ccc(F)c(F)c1)N1CC[C@H](C)C1 ZINC000337676906 177169370 /nfs/dbraw/zinc/16/93/70/177169370.db2.gz FZTVDRFDEQXLIN-UWVGGRQHSA-N 0 3 225.282 3.368 20 0 BGADHN C[C@H](c1ccc(F)c(F)c1)N1CC[C@H](C)C1 ZINC000337676908 177169702 /nfs/dbraw/zinc/16/97/02/177169702.db2.gz FZTVDRFDEQXLIN-VHSXEESVSA-N 0 3 225.282 3.368 20 0 BGADHN C[C@@H](c1ccc(F)c(F)c1)N1CC[C@@H](C)C1 ZINC000337676910 176014525 /nfs/dbraw/zinc/01/45/25/176014525.db2.gz FZTVDRFDEQXLIN-ZJUUUORDSA-N 0 3 225.282 3.368 20 0 BGADHN CCC1(C)CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000337678890 385750671 /nfs/dbraw/zinc/75/06/71/385750671.db2.gz HAETWAVKUFFZBN-UHFFFAOYSA-N 0 3 249.402 3.049 20 0 BGADHN C[C@@H]1CCN(Cc2cc(F)cc3cccnc32)C1 ZINC000337680211 176173503 /nfs/dbraw/zinc/17/35/03/176173503.db2.gz HNBRXYIWZUHEKC-LLVKDONJSA-N 0 3 244.313 3.216 20 0 BGADHN C[C@H]1CCN(Cc2cc(F)cc3cccnc32)C1 ZINC000337680219 177163813 /nfs/dbraw/zinc/16/38/13/177163813.db2.gz HNBRXYIWZUHEKC-NSHDSACASA-N 0 3 244.313 3.216 20 0 BGADHN C[C@H](c1ccccc1F)N1CC[C@@H](C)C1 ZINC000337688787 176180778 /nfs/dbraw/zinc/18/07/78/176180778.db2.gz MNRCIOCGUKAFAC-GHMZBOCLSA-N 0 3 207.292 3.229 20 0 BGADHN C[C@@H](c1ccccc1F)N1CC[C@@H](C)C1 ZINC000337688788 176024523 /nfs/dbraw/zinc/02/45/23/176024523.db2.gz MNRCIOCGUKAFAC-MNOVXSKESA-N 0 3 207.292 3.229 20 0 BGADHN C[C@@H](c1ccccc1F)N1CC[C@H](C)C1 ZINC000337688789 177169960 /nfs/dbraw/zinc/16/99/60/177169960.db2.gz MNRCIOCGUKAFAC-QWRGUYRKSA-N 0 3 207.292 3.229 20 0 BGADHN C[C@H](c1ccccc1F)N1CC[C@H](C)C1 ZINC000337688790 177169717 /nfs/dbraw/zinc/16/97/17/177169717.db2.gz MNRCIOCGUKAFAC-WDEREUQCSA-N 0 3 207.292 3.229 20 0 BGADHN C[C@@H]1CCN(CCSc2ccccc2F)C1 ZINC000337691236 176170497 /nfs/dbraw/zinc/17/04/97/176170497.db2.gz OQLKPVFKLWCVJT-LLVKDONJSA-N 0 3 239.359 3.260 20 0 BGADHN C[C@H]1CCN(CCSc2ccccc2F)C1 ZINC000337691237 177160720 /nfs/dbraw/zinc/16/07/20/177160720.db2.gz OQLKPVFKLWCVJT-NSHDSACASA-N 0 3 239.359 3.260 20 0 BGADHN C[C@H]1CCN(Cc2cccc(Cl)c2)C1 ZINC000337697277 177165558 /nfs/dbraw/zinc/16/55/58/177165558.db2.gz UEPYTVIGFGQKRB-JTQLQIEISA-N 0 3 209.720 3.182 20 0 BGADHN C[C@@H]1CCN(Cc2cccc(Cl)c2)C1 ZINC000337697278 176176403 /nfs/dbraw/zinc/17/64/03/176176403.db2.gz UEPYTVIGFGQKRB-SNVBAGLBSA-N 0 3 209.720 3.182 20 0 BGADHN C[C@H](c1cc(F)ccc1F)N1CC[C@@H](C)C1 ZINC000337698403 176180612 /nfs/dbraw/zinc/18/06/12/176180612.db2.gz VEYJJILFIMJVNF-NXEZZACHSA-N 0 3 225.282 3.368 20 0 BGADHN C[C@@H](c1cc(F)ccc1F)N1CC[C@H](C)C1 ZINC000337698404 177169567 /nfs/dbraw/zinc/16/95/67/177169567.db2.gz VEYJJILFIMJVNF-UWVGGRQHSA-N 0 3 225.282 3.368 20 0 BGADHN C[C@H](c1cc(F)ccc1F)N1CC[C@H](C)C1 ZINC000337698405 177170566 /nfs/dbraw/zinc/17/05/66/177170566.db2.gz VEYJJILFIMJVNF-VHSXEESVSA-N 0 3 225.282 3.368 20 0 BGADHN C[C@@H](c1cc(F)ccc1F)N1CC[C@@H](C)C1 ZINC000337698406 176012819 /nfs/dbraw/zinc/01/28/19/176012819.db2.gz VEYJJILFIMJVNF-ZJUUUORDSA-N 0 3 225.282 3.368 20 0 BGADHN C[C@H](c1ccc(F)cc1F)N1CC[C@@H](C)C1 ZINC000337699103 176180561 /nfs/dbraw/zinc/18/05/61/176180561.db2.gz VGZDOFNYPPKZOC-NXEZZACHSA-N 0 3 225.282 3.368 20 0 BGADHN C[C@@H](c1ccc(F)cc1F)N1CC[C@H](C)C1 ZINC000337699106 177169608 /nfs/dbraw/zinc/16/96/08/177169608.db2.gz VGZDOFNYPPKZOC-UWVGGRQHSA-N 0 3 225.282 3.368 20 0 BGADHN C[C@H](c1ccc(F)cc1F)N1CC[C@H](C)C1 ZINC000337699110 177169696 /nfs/dbraw/zinc/16/96/96/177169696.db2.gz VGZDOFNYPPKZOC-VHSXEESVSA-N 0 3 225.282 3.368 20 0 BGADHN C[C@@H](c1ccc(F)cc1F)N1CC[C@@H](C)C1 ZINC000337699113 176014924 /nfs/dbraw/zinc/01/49/24/176014924.db2.gz VGZDOFNYPPKZOC-ZJUUUORDSA-N 0 3 225.282 3.368 20 0 BGADHN C[C@@H]1CCN(Cc2ccc(F)c3cccnc23)C1 ZINC000337699663 176174575 /nfs/dbraw/zinc/17/45/75/176174575.db2.gz VPDVYEMHFDLWFM-LLVKDONJSA-N 0 3 244.313 3.216 20 0 BGADHN C[C@H]1CCN(Cc2ccc(F)c3cccnc23)C1 ZINC000337699666 177163837 /nfs/dbraw/zinc/16/38/37/177163837.db2.gz VPDVYEMHFDLWFM-NSHDSACASA-N 0 3 244.313 3.216 20 0 BGADHN CSc1ccc(CN2CC[C@@H](C)C2)cc1 ZINC000337699853 385754567 /nfs/dbraw/zinc/75/45/67/385754567.db2.gz VSVOOBZFAHKBHK-LLVKDONJSA-N 0 3 221.369 3.250 20 0 BGADHN CSc1ccc(CN2CC[C@H](C)C2)cc1 ZINC000337699856 385754268 /nfs/dbraw/zinc/75/42/68/385754268.db2.gz VSVOOBZFAHKBHK-NSHDSACASA-N 0 3 221.369 3.250 20 0 BGADHN Fc1ccc(F)c2c1CC[C@H]2NCC1CCC1 ZINC000337716613 385759263 /nfs/dbraw/zinc/75/92/63/385759263.db2.gz RSINBVRLSMXHMN-CYBMUJFWSA-N 0 3 237.293 3.342 20 0 BGADHN Fc1ccc(F)c2c1CC[C@@H]2NCC1CCC1 ZINC000337716615 385758423 /nfs/dbraw/zinc/75/84/23/385758423.db2.gz RSINBVRLSMXHMN-ZDUSSCGKSA-N 0 3 237.293 3.342 20 0 BGADHN CC1(CN[C@@H]2CCc3c2c(F)ccc3F)CC1 ZINC000337725262 168045733 /nfs/dbraw/zinc/04/57/33/168045733.db2.gz ZCYVXJNWUJJXFB-GFCCVEGCSA-N 0 3 237.293 3.342 20 0 BGADHN CC1(CN[C@H]2CCc3c2c(F)ccc3F)CC1 ZINC000337725267 168046188 /nfs/dbraw/zinc/04/61/88/168046188.db2.gz ZCYVXJNWUJJXFB-LBPRGKRZSA-N 0 3 237.293 3.342 20 0 BGADHN CN(C)CCSC[C@H]1CCCC(F)(F)C1 ZINC000337745145 385773018 /nfs/dbraw/zinc/77/30/18/385773018.db2.gz GALVOMOBJKFPST-JTQLQIEISA-N 0 3 237.359 3.107 20 0 BGADHN CN(C)CCSC[C@@H]1CCCC(F)(F)C1 ZINC000337745146 385773231 /nfs/dbraw/zinc/77/32/31/385773231.db2.gz GALVOMOBJKFPST-SNVBAGLBSA-N 0 3 237.359 3.107 20 0 BGADHN Cc1cnc(CN(C)CCC2CCCCC2)cn1 ZINC000337772000 385776341 /nfs/dbraw/zinc/77/63/41/385776341.db2.gz CWZNQSSOPSVGTA-UHFFFAOYSA-N 0 3 247.386 3.187 20 0 BGADHN Cc1cc(CN(C)CCC2CCCCC2)on1 ZINC000337833338 385801638 /nfs/dbraw/zinc/80/16/38/385801638.db2.gz HAVGGHRXVYHVSN-UHFFFAOYSA-N 0 3 236.359 3.385 20 0 BGADHN Cc1ncc(CN(C)CCC2CCCCC2)cn1 ZINC000337849614 180138550 /nfs/dbraw/zinc/13/85/50/180138550.db2.gz QWRRYTMTJYPMNW-UHFFFAOYSA-N 0 3 247.386 3.187 20 0 BGADHN COCC[C@@H](NCc1ccc(C)o1)C(C)(C)C ZINC000337947132 174394372 /nfs/dbraw/zinc/39/43/72/174394372.db2.gz HVFZXXCKXWLYCJ-CYBMUJFWSA-N 0 3 239.359 3.129 20 0 BGADHN COCC[C@H](NCc1ccc(C)o1)C(C)(C)C ZINC000337947133 385855403 /nfs/dbraw/zinc/85/54/03/385855403.db2.gz HVFZXXCKXWLYCJ-ZDUSSCGKSA-N 0 3 239.359 3.129 20 0 BGADHN COCC[C@@H](NCc1occc1C)C(C)(C)C ZINC000337947144 174393550 /nfs/dbraw/zinc/39/35/50/174393550.db2.gz IFDVDLNARLWEMX-CYBMUJFWSA-N 0 3 239.359 3.129 20 0 BGADHN COCC[C@H](NCc1occc1C)C(C)(C)C ZINC000337947145 385854993 /nfs/dbraw/zinc/85/49/93/385854993.db2.gz IFDVDLNARLWEMX-ZDUSSCGKSA-N 0 3 239.359 3.129 20 0 BGADHN C[C@@H](NC[C@H]1CC=CCC1)c1ccncc1F ZINC000337949403 191140628 /nfs/dbraw/zinc/14/06/28/191140628.db2.gz ATRQBCQRUJBFDL-NEPJUHHUSA-N 0 3 234.318 3.228 20 0 BGADHN C[C@H](NC[C@@H]1CC=CCC1)c1ccncc1F ZINC000337949424 385858818 /nfs/dbraw/zinc/85/88/18/385858818.db2.gz ATRQBCQRUJBFDL-NWDGAFQWSA-N 0 3 234.318 3.228 20 0 BGADHN C[C@H](NC[C@H]1CC=CCC1)c1ccncc1F ZINC000337949425 385858634 /nfs/dbraw/zinc/85/86/34/385858634.db2.gz ATRQBCQRUJBFDL-RYUDHWBXSA-N 0 3 234.318 3.228 20 0 BGADHN C[C@@H](NC[C@@H]1CC=CCC1)c1ccncc1F ZINC000337949426 175887916 /nfs/dbraw/zinc/88/79/16/175887916.db2.gz ATRQBCQRUJBFDL-VXGBXAGGSA-N 0 3 234.318 3.228 20 0 BGADHN C[C@@H](N[C@@H](C)c1ccncc1F)[C@H]1CC1(C)C ZINC000337951818 385861611 /nfs/dbraw/zinc/86/16/11/385861611.db2.gz KUTIBWOPCPHDHI-HOSYDEDBSA-N 0 3 236.334 3.306 20 0 BGADHN C[C@H](N[C@@H](C)[C@H]1CC1(C)C)c1ccncc1F ZINC000337951820 385861189 /nfs/dbraw/zinc/86/11/89/385861189.db2.gz KUTIBWOPCPHDHI-JBLDHEPKSA-N 0 3 236.334 3.306 20 0 BGADHN C[C@H](N[C@@H](C)[C@@H]1CC1(C)C)c1ccncc1F ZINC000337951821 385860445 /nfs/dbraw/zinc/86/04/45/385860445.db2.gz KUTIBWOPCPHDHI-NHCYSSNCSA-N 0 3 236.334 3.306 20 0 BGADHN C[C@@H](N[C@@H](C)c1ccncc1F)[C@@H]1CC1(C)C ZINC000337951822 385860566 /nfs/dbraw/zinc/86/05/66/385860566.db2.gz KUTIBWOPCPHDHI-UMNHJUIQSA-N 0 3 236.334 3.306 20 0 BGADHN C[C@@H](NCC1CCCCC1)c1ccncc1F ZINC000337952426 385860555 /nfs/dbraw/zinc/86/05/55/385860555.db2.gz RYMXRCIDRTXLRH-LLVKDONJSA-N 0 3 236.334 3.452 20 0 BGADHN C[C@H](NCC1CCCCC1)c1ccncc1F ZINC000337952428 385860668 /nfs/dbraw/zinc/86/06/68/385860668.db2.gz RYMXRCIDRTXLRH-NSHDSACASA-N 0 3 236.334 3.452 20 0 BGADHN Fc1ccccc1CN[C@@H]1CC[C@H]1C1CCC1 ZINC000337986839 181012930 /nfs/dbraw/zinc/01/29/30/181012930.db2.gz JHHCMVDERCCQDY-DZGCQCFKSA-N 0 3 233.330 3.494 20 0 BGADHN Fc1ccccc1CN[C@H]1CC[C@@H]1C1CCC1 ZINC000337986840 181012493 /nfs/dbraw/zinc/01/24/93/181012493.db2.gz JHHCMVDERCCQDY-HIFRSBDPSA-N 0 3 233.330 3.494 20 0 BGADHN Fc1ccccc1CN[C@@H]1CC[C@@H]1C1CCC1 ZINC000337986841 181012679 /nfs/dbraw/zinc/01/26/79/181012679.db2.gz JHHCMVDERCCQDY-UKRRQHHQSA-N 0 3 233.330 3.494 20 0 BGADHN Fc1ccccc1CN[C@H]1CC[C@H]1C1CCC1 ZINC000337986842 181012447 /nfs/dbraw/zinc/01/24/47/181012447.db2.gz JHHCMVDERCCQDY-ZFWWWQNUSA-N 0 3 233.330 3.494 20 0 BGADHN C[C@H](N[C@@H]1CC[C@H]1C1CCC1)c1ccccn1 ZINC000337987858 385868638 /nfs/dbraw/zinc/86/86/38/385868638.db2.gz VQQRQSBCDQQLOP-CORIIIEPSA-N 0 3 230.355 3.311 20 0 BGADHN C[C@H](N[C@H]1CC[C@@H]1C1CCC1)c1ccccn1 ZINC000337987860 385868566 /nfs/dbraw/zinc/86/85/66/385868566.db2.gz VQQRQSBCDQQLOP-LNSITVRQSA-N 0 3 230.355 3.311 20 0 BGADHN C[C@H](N[C@@H]1CC[C@@H]1C1CCC1)c1ccccn1 ZINC000337987861 385868293 /nfs/dbraw/zinc/86/82/93/385868293.db2.gz VQQRQSBCDQQLOP-NJZAAPMLSA-N 0 3 230.355 3.311 20 0 BGADHN C[C@H](N[C@H]1CC[C@H]1C1CCC1)c1ccccn1 ZINC000337987863 385868948 /nfs/dbraw/zinc/86/89/48/385868948.db2.gz VQQRQSBCDQQLOP-WHOFXGATSA-N 0 3 230.355 3.311 20 0 BGADHN COC[C@H](N[C@H]1CC[C@H]1C1CCC1)c1ccco1 ZINC000337988903 385870044 /nfs/dbraw/zinc/87/00/44/385870044.db2.gz PFSOCQIPHKTJRK-IHRRRGAJSA-N 0 3 249.354 3.135 20 0 BGADHN COC[C@H](N[C@@H]1CC[C@@H]1C1CCC1)c1ccco1 ZINC000337988904 174584960 /nfs/dbraw/zinc/58/49/60/174584960.db2.gz PFSOCQIPHKTJRK-MCIONIFRSA-N 0 3 249.354 3.135 20 0 BGADHN COC[C@H](N[C@@H]1CC[C@H]1C1CCC1)c1ccco1 ZINC000337988905 385869720 /nfs/dbraw/zinc/86/97/20/385869720.db2.gz PFSOCQIPHKTJRK-MJBXVCDLSA-N 0 3 249.354 3.135 20 0 BGADHN COC[C@H](N[C@H]1CC[C@@H]1C1CCC1)c1ccco1 ZINC000337988906 385869806 /nfs/dbraw/zinc/86/98/06/385869806.db2.gz PFSOCQIPHKTJRK-RDBSUJKOSA-N 0 3 249.354 3.135 20 0 BGADHN Cc1cccnc1CN[C@H]1CC[C@H]1C1CCC1 ZINC000337995736 179384464 /nfs/dbraw/zinc/38/44/64/179384464.db2.gz OYLRNNJRANATFZ-KBPBESRZSA-N 0 3 230.355 3.058 20 0 BGADHN Cc1cccnc1CN[C@H]1CC[C@@H]1C1CCC1 ZINC000337995737 179384192 /nfs/dbraw/zinc/38/41/92/179384192.db2.gz OYLRNNJRANATFZ-KGLIPLIRSA-N 0 3 230.355 3.058 20 0 BGADHN Cc1cccnc1CN[C@@H]1CC[C@H]1C1CCC1 ZINC000337995738 179383744 /nfs/dbraw/zinc/38/37/44/179383744.db2.gz OYLRNNJRANATFZ-UONOGXRCSA-N 0 3 230.355 3.058 20 0 BGADHN Cc1cccnc1CN[C@@H]1CC[C@@H]1C1CCC1 ZINC000337995739 179384478 /nfs/dbraw/zinc/38/44/78/179384478.db2.gz OYLRNNJRANATFZ-ZIAGYGMSSA-N 0 3 230.355 3.058 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@@H](C)C1)c1ccncc1F ZINC000338009864 385878728 /nfs/dbraw/zinc/87/87/28/385878728.db2.gz XDFDTFDSCDFTMP-GRYCIOLGSA-N 0 3 236.334 3.450 20 0 BGADHN C[C@@H](N[C@@H]1CCC[C@@H](C)C1)c1ccncc1F ZINC000338009866 176124158 /nfs/dbraw/zinc/12/41/58/176124158.db2.gz XDFDTFDSCDFTMP-IJLUTSLNSA-N 0 3 236.334 3.450 20 0 BGADHN C[C@@H](N[C@H]1CCC[C@@H](C)C1)c1ccncc1F ZINC000338009868 176145536 /nfs/dbraw/zinc/14/55/36/176145536.db2.gz XDFDTFDSCDFTMP-UTUOFQBUSA-N 0 3 236.334 3.450 20 0 BGADHN C[C@H](N[C@H]1CCC[C@@H](C)C1)c1ccncc1F ZINC000338009869 385879253 /nfs/dbraw/zinc/87/92/53/385879253.db2.gz XDFDTFDSCDFTMP-WOPDTQHZSA-N 0 3 236.334 3.450 20 0 BGADHN COCC[C@H](N[C@@H](C)c1ccco1)C(C)(C)C ZINC000338011589 385879499 /nfs/dbraw/zinc/87/94/99/385879499.db2.gz HOEPSSZBJNXUKL-AAEUAGOBSA-N 0 3 239.359 3.381 20 0 BGADHN COCC[C@@H](N[C@H](C)c1ccco1)C(C)(C)C ZINC000338011590 174395646 /nfs/dbraw/zinc/39/56/46/174395646.db2.gz HOEPSSZBJNXUKL-DGCLKSJQSA-N 0 3 239.359 3.381 20 0 BGADHN COCC[C@@H](N[C@@H](C)c1ccco1)C(C)(C)C ZINC000338011591 174395002 /nfs/dbraw/zinc/39/50/02/174395002.db2.gz HOEPSSZBJNXUKL-WCQYABFASA-N 0 3 239.359 3.381 20 0 BGADHN COCC[C@H](N[C@H](C)c1ccco1)C(C)(C)C ZINC000338011592 385880052 /nfs/dbraw/zinc/88/00/52/385880052.db2.gz HOEPSSZBJNXUKL-YPMHNXCESA-N 0 3 239.359 3.381 20 0 BGADHN Cc1cc([C@@H](C)NCCCOC(F)F)oc1C ZINC000338011745 178225348 /nfs/dbraw/zinc/22/53/48/178225348.db2.gz OLMHZYAAGWRHAI-SECBINFHSA-N 0 3 247.285 3.176 20 0 BGADHN Cc1cc([C@H](C)NCCCOC(F)F)oc1C ZINC000338011746 178247257 /nfs/dbraw/zinc/24/72/57/178247257.db2.gz OLMHZYAAGWRHAI-VIFPVBQESA-N 0 3 247.285 3.176 20 0 BGADHN Cc1cc([C@@H](C)NCCCOC(F)F)c(C)o1 ZINC000338012540 178224564 /nfs/dbraw/zinc/22/45/64/178224564.db2.gz SBRXISKCPVSVDQ-SECBINFHSA-N 0 3 247.285 3.176 20 0 BGADHN Cc1cc([C@H](C)NCCCOC(F)F)c(C)o1 ZINC000338012542 178246955 /nfs/dbraw/zinc/24/69/55/178246955.db2.gz SBRXISKCPVSVDQ-VIFPVBQESA-N 0 3 247.285 3.176 20 0 BGADHN C[C@H](CCC1CC1)N[C@H](C)c1ccncc1F ZINC000338015272 385881633 /nfs/dbraw/zinc/88/16/33/385881633.db2.gz BMFTVDOTSVYMKX-GHMZBOCLSA-N 0 3 236.334 3.450 20 0 BGADHN C[C@H](CCC1CC1)N[C@@H](C)c1ccncc1F ZINC000338015273 385881687 /nfs/dbraw/zinc/88/16/87/385881687.db2.gz BMFTVDOTSVYMKX-MNOVXSKESA-N 0 3 236.334 3.450 20 0 BGADHN C[C@@H](CCC1CC1)N[C@@H](C)c1ccncc1F ZINC000338015275 385881453 /nfs/dbraw/zinc/88/14/53/385881453.db2.gz BMFTVDOTSVYMKX-QWRGUYRKSA-N 0 3 236.334 3.450 20 0 BGADHN C[C@@H](N[C@@H](C)CCC1CC1)c1ccncc1F ZINC000338015277 385881088 /nfs/dbraw/zinc/88/10/88/385881088.db2.gz BMFTVDOTSVYMKX-WDEREUQCSA-N 0 3 236.334 3.450 20 0 BGADHN C[C@@H](N[C@H](C)C1CCCC1)c1ccncc1F ZINC000338016716 385874737 /nfs/dbraw/zinc/87/47/37/385874737.db2.gz WYKMOPCNOLWMQA-GHMZBOCLSA-N 0 3 236.334 3.450 20 0 BGADHN C[C@@H](N[C@@H](C)c1ccncc1F)C1CCCC1 ZINC000338016718 385876091 /nfs/dbraw/zinc/87/60/91/385876091.db2.gz WYKMOPCNOLWMQA-MNOVXSKESA-N 0 3 236.334 3.450 20 0 BGADHN C[C@H](N[C@@H](C)C1CCCC1)c1ccncc1F ZINC000338016721 385875700 /nfs/dbraw/zinc/87/57/00/385875700.db2.gz WYKMOPCNOLWMQA-QWRGUYRKSA-N 0 3 236.334 3.450 20 0 BGADHN C[C@@H](N[C@@H](C)C1CCCC1)c1ccncc1F ZINC000338016722 385875190 /nfs/dbraw/zinc/87/51/90/385875190.db2.gz WYKMOPCNOLWMQA-WDEREUQCSA-N 0 3 236.334 3.450 20 0 BGADHN C[C@@H](N[C@@H]1CCC(C)(C)C1)c1ccncc1F ZINC000338017925 385874878 /nfs/dbraw/zinc/87/48/78/385874878.db2.gz YBUHHPBAKACOTI-GHMZBOCLSA-N 0 3 236.334 3.450 20 0 BGADHN C[C@@H](N[C@H]1CCC(C)(C)C1)c1ccncc1F ZINC000338017926 385875671 /nfs/dbraw/zinc/87/56/71/385875671.db2.gz YBUHHPBAKACOTI-MNOVXSKESA-N 0 3 236.334 3.450 20 0 BGADHN C[C@H](N[C@H]1CCC(C)(C)C1)c1ccncc1F ZINC000338017927 385875624 /nfs/dbraw/zinc/87/56/24/385875624.db2.gz YBUHHPBAKACOTI-QWRGUYRKSA-N 0 3 236.334 3.450 20 0 BGADHN C[C@H](N[C@@H]1CCC(C)(C)C1)c1ccncc1F ZINC000338017928 385875943 /nfs/dbraw/zinc/87/59/43/385875943.db2.gz YBUHHPBAKACOTI-WDEREUQCSA-N 0 3 236.334 3.450 20 0 BGADHN C[C@H](N[C@@H]1CC[C@@H]1C1CCC1)c1ccncc1F ZINC000338018802 385876011 /nfs/dbraw/zinc/87/60/11/385876011.db2.gz ZAVNCMQYXQHAEI-PSOPSSQASA-N 0 3 248.345 3.450 20 0 BGADHN C[C@H](N[C@@H]1CC[C@H]1C1CCC1)c1ccncc1F ZINC000338018803 385875614 /nfs/dbraw/zinc/87/56/14/385875614.db2.gz ZAVNCMQYXQHAEI-VZJVUDMVSA-N 0 3 248.345 3.450 20 0 BGADHN C[C@H](N[C@H]1CC[C@H]1C1CCC1)c1ccncc1F ZINC000338018805 385876042 /nfs/dbraw/zinc/87/60/42/385876042.db2.gz ZAVNCMQYXQHAEI-XEGUGMAKSA-N 0 3 248.345 3.450 20 0 BGADHN C[C@H](N[C@H]1CC[C@@H]1C1CCC1)c1ccncc1F ZINC000338018806 385876116 /nfs/dbraw/zinc/87/61/16/385876116.db2.gz ZAVNCMQYXQHAEI-ZBINZKHDSA-N 0 3 248.345 3.450 20 0 BGADHN C[C@H](NC1CCC(C)CC1)c1ccncc1F ZINC000338019069 168163903 /nfs/dbraw/zinc/16/39/03/168163903.db2.gz GFNPTQXTUHZVIV-CXQJBGSLSA-N 0 3 236.334 3.450 20 0 BGADHN C[C@@H](NC1CCC(C)CC1)c1ccncc1F ZINC000338019077 168165442 /nfs/dbraw/zinc/16/54/42/168165442.db2.gz GFNPTQXTUHZVIV-MOENNCHZSA-N 0 3 236.334 3.450 20 0 BGADHN CC[C@@]1(C)C[C@H]1C(=O)N1CCc2cc(F)ccc21 ZINC000338105909 171207054 /nfs/dbraw/zinc/20/70/54/171207054.db2.gz PILPGZPFLNDBGY-WFASDCNBSA-N 0 3 247.313 3.151 20 0 BGADHN CCOc1cccc(CNCCC2=CCCC2)n1 ZINC000338188084 385916539 /nfs/dbraw/zinc/91/65/39/385916539.db2.gz YTNRMSCQIQBCKZ-UHFFFAOYSA-N 0 3 246.354 3.070 20 0 BGADHN CCN(CCOC)Cc1csc2ccccc12 ZINC000338203210 385915184 /nfs/dbraw/zinc/91/51/84/385915184.db2.gz FSXQAQXFPBPNGV-UHFFFAOYSA-N 0 3 249.379 3.370 20 0 BGADHN CCC[C@@H](C)N(C)Cc1cccc2c1OCCO2 ZINC000338204030 169365513 /nfs/dbraw/zinc/36/55/13/169365513.db2.gz LAHMGRPVTGYHEP-GFCCVEGCSA-N 0 3 249.354 3.078 20 0 BGADHN CCC[C@H](C)N(C)Cc1cccc2c1OCCO2 ZINC000338204033 385914201 /nfs/dbraw/zinc/91/42/01/385914201.db2.gz LAHMGRPVTGYHEP-LBPRGKRZSA-N 0 3 249.354 3.078 20 0 BGADHN CCCN(CCC)Cc1cccc2c1OCCO2 ZINC000338210459 169148470 /nfs/dbraw/zinc/14/84/70/169148470.db2.gz ZSSXWVRJLFQBCE-UHFFFAOYSA-N 0 3 249.354 3.080 20 0 BGADHN COc1ccc(CN(C)CC2CCCCC2)nc1 ZINC000338235212 187326627 /nfs/dbraw/zinc/32/66/27/187326627.db2.gz RGRBLRLPXFRPGS-UHFFFAOYSA-N 0 3 248.370 3.102 20 0 BGADHN CCCN(C)C[C@@H](OC)c1ccc(Cl)cc1 ZINC000338238506 169079343 /nfs/dbraw/zinc/07/93/43/169079343.db2.gz VBVIYSXJMTWUQU-CYBMUJFWSA-N 0 3 241.762 3.369 20 0 BGADHN CCCN(C)C[C@H](OC)c1ccc(Cl)cc1 ZINC000338238509 169078809 /nfs/dbraw/zinc/07/88/09/169078809.db2.gz VBVIYSXJMTWUQU-ZDUSSCGKSA-N 0 3 241.762 3.369 20 0 BGADHN CCC1(C)CCN(Cc2ccc(OC)cn2)CC1 ZINC000338238535 385931429 /nfs/dbraw/zinc/93/14/29/385931429.db2.gz MVEKWDOQJGSBJO-UHFFFAOYSA-N 0 3 248.370 3.102 20 0 BGADHN CCC[N@@H+](C)Cc1ccc([O-])c2nc(C)ccc12 ZINC000338239052 169081142 /nfs/dbraw/zinc/08/11/42/169081142.db2.gz XTXMPCNEYBGJJH-UHFFFAOYSA-N 0 3 244.338 3.091 20 0 BGADHN CCC[N@H+](C)Cc1ccc([O-])c2nc(C)ccc12 ZINC000338239052 169081140 /nfs/dbraw/zinc/08/11/40/169081140.db2.gz XTXMPCNEYBGJJH-UHFFFAOYSA-N 0 3 244.338 3.091 20 0 BGADHN COc1ccc(CN2CCC[C@H]2CC(C)C)nc1 ZINC000338239172 175099692 /nfs/dbraw/zinc/09/96/92/175099692.db2.gz ZVVPCFMFJYPEKB-AWEZNQCLSA-N 0 3 248.370 3.101 20 0 BGADHN COc1ccc(CN2CCC[C@@H]2CC(C)C)nc1 ZINC000338239175 187326254 /nfs/dbraw/zinc/32/62/54/187326254.db2.gz ZVVPCFMFJYPEKB-CQSZACIVSA-N 0 3 248.370 3.101 20 0 BGADHN CC(C)SCCN(C)Cc1cccc(F)c1 ZINC000338248053 167324094 /nfs/dbraw/zinc/32/40/94/167324094.db2.gz AVTGLTPAOJRKGC-UHFFFAOYSA-N 0 3 241.375 3.399 20 0 BGADHN CC(C)SCCN(C)Cc1ccc(F)cc1 ZINC000338253025 167323425 /nfs/dbraw/zinc/32/34/25/167323425.db2.gz UYESRGCRMFLBHV-UHFFFAOYSA-N 0 3 241.375 3.399 20 0 BGADHN CC(C)Oc1ccccc1CN1CC[C@@H](C)C1 ZINC000338255109 167310482 /nfs/dbraw/zinc/31/04/82/167310482.db2.gz JLUPMWPUQRDRBH-CYBMUJFWSA-N 0 3 233.355 3.316 20 0 BGADHN CC(C)Oc1ccccc1CN1CC[C@H](C)C1 ZINC000338255111 167310471 /nfs/dbraw/zinc/31/04/71/167310471.db2.gz JLUPMWPUQRDRBH-ZDUSSCGKSA-N 0 3 233.355 3.316 20 0 BGADHN C[C@@H]1CCN(Cc2cc(-c3ccccc3)no2)C1 ZINC000338256426 176174002 /nfs/dbraw/zinc/17/40/02/176174002.db2.gz MAUIOHAGGCMOTA-GFCCVEGCSA-N 0 3 242.322 3.183 20 0 BGADHN C[C@H]1CCN(Cc2cc(-c3ccccc3)no2)C1 ZINC000338256428 177162856 /nfs/dbraw/zinc/16/28/56/177162856.db2.gz MAUIOHAGGCMOTA-LBPRGKRZSA-N 0 3 242.322 3.183 20 0 BGADHN CN(CCC(F)(F)F)CC1CCCC1 ZINC000338257177 385928825 /nfs/dbraw/zinc/92/88/25/385928825.db2.gz IDJKQPMRNSRWIS-UHFFFAOYSA-N 0 3 209.255 3.061 20 0 BGADHN C[C@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC000338258121 177163455 /nfs/dbraw/zinc/16/34/55/177163455.db2.gz WBJLOBRHEVMOET-JTQLQIEISA-N 0 3 209.720 3.182 20 0 BGADHN C[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC000338258124 176173850 /nfs/dbraw/zinc/17/38/50/176173850.db2.gz WBJLOBRHEVMOET-SNVBAGLBSA-N 0 3 209.720 3.182 20 0 BGADHN C[C@H]1CCN(Cc2ccccc2Cl)C1 ZINC000338258211 177164762 /nfs/dbraw/zinc/16/47/62/177164762.db2.gz YUCMNLMMIXHDAN-JTQLQIEISA-N 0 3 209.720 3.182 20 0 BGADHN C[C@@H]1CCN(Cc2ccccc2Cl)C1 ZINC000338258213 176176584 /nfs/dbraw/zinc/17/65/84/176176584.db2.gz YUCMNLMMIXHDAN-SNVBAGLBSA-N 0 3 209.720 3.182 20 0 BGADHN COc1ccc(Cl)cc1CN1CC[C@H](C)C1 ZINC000338259118 175120846 /nfs/dbraw/zinc/12/08/46/175120846.db2.gz XMXZDSZRFQMXHD-JTQLQIEISA-N 0 3 239.746 3.190 20 0 BGADHN COc1ccc(Cl)cc1CN1CC[C@@H](C)C1 ZINC000338259119 175120525 /nfs/dbraw/zinc/12/05/25/175120525.db2.gz XMXZDSZRFQMXHD-SNVBAGLBSA-N 0 3 239.746 3.190 20 0 BGADHN CCCCN(C)C[C@@H]1OCCc2ccccc21 ZINC000338260467 385937641 /nfs/dbraw/zinc/93/76/41/385937641.db2.gz GUUYDXHXRQSAHW-HNNXBMFYSA-N 0 3 233.355 3.032 20 0 BGADHN CCCCN(C)C[C@H]1OCCc2ccccc21 ZINC000338260468 385938623 /nfs/dbraw/zinc/93/86/23/385938623.db2.gz GUUYDXHXRQSAHW-OAHLLOKOSA-N 0 3 233.355 3.032 20 0 BGADHN CCN(CC)C[C@@H](OC)c1ccc(Cl)cc1 ZINC000338263427 385936298 /nfs/dbraw/zinc/93/62/98/385936298.db2.gz MIVSGKWAQRVJCO-CYBMUJFWSA-N 0 3 241.762 3.369 20 0 BGADHN CCN(CC)C[C@H](OC)c1ccc(Cl)cc1 ZINC000338263428 385934450 /nfs/dbraw/zinc/93/44/50/385934450.db2.gz MIVSGKWAQRVJCO-ZDUSSCGKSA-N 0 3 241.762 3.369 20 0 BGADHN CC[NH+](CC)Cc1ccc([O-])c2nc(C)ccc12 ZINC000338264603 169790897 /nfs/dbraw/zinc/79/08/97/169790897.db2.gz VBYYACOJUNOYEG-UHFFFAOYSA-N 0 3 244.338 3.091 20 0 BGADHN C[C@H]1CCCC[C@@H]1OCCN1CCCCC1 ZINC000338278171 177084043 /nfs/dbraw/zinc/08/40/43/177084043.db2.gz KUGSWQPLGBZATK-KBPBESRZSA-N 0 3 225.376 3.068 20 0 BGADHN C[C@@H]1CCCC[C@@H]1OCCN1CCCCC1 ZINC000338278173 176082277 /nfs/dbraw/zinc/08/22/77/176082277.db2.gz KUGSWQPLGBZATK-KGLIPLIRSA-N 0 3 225.376 3.068 20 0 BGADHN C[C@H]1CCCC[C@H]1OCCN1CCCCC1 ZINC000338278175 177089924 /nfs/dbraw/zinc/08/99/24/177089924.db2.gz KUGSWQPLGBZATK-UONOGXRCSA-N 0 3 225.376 3.068 20 0 BGADHN C[C@@H]1CCCC[C@H]1OCCN1CCCCC1 ZINC000338278176 176089324 /nfs/dbraw/zinc/08/93/24/176089324.db2.gz KUGSWQPLGBZATK-ZIAGYGMSSA-N 0 3 225.376 3.068 20 0 BGADHN CCC1(CC)CCN(Cc2ccc(OC)cn2)C1 ZINC000338279794 385944981 /nfs/dbraw/zinc/94/49/81/385944981.db2.gz AUNJUYWVSSKWRY-UHFFFAOYSA-N 0 3 248.370 3.102 20 0 BGADHN C[C@@]1(F)CCN(C[C@@H]2CCCC(F)(F)C2)C1 ZINC000338285922 385943663 /nfs/dbraw/zinc/94/36/63/385943663.db2.gz UUSJELQELQMUQG-GHMZBOCLSA-N 0 3 235.293 3.246 20 0 BGADHN C[C@]1(F)CCN(C[C@@H]2CCCC(F)(F)C2)C1 ZINC000338285923 385941826 /nfs/dbraw/zinc/94/18/26/385941826.db2.gz UUSJELQELQMUQG-MNOVXSKESA-N 0 3 235.293 3.246 20 0 BGADHN C[C@]1(F)CCN(C[C@H]2CCCC(F)(F)C2)C1 ZINC000338285924 385941135 /nfs/dbraw/zinc/94/11/35/385941135.db2.gz UUSJELQELQMUQG-QWRGUYRKSA-N 0 3 235.293 3.246 20 0 BGADHN C[C@@]1(F)CCN(C[C@H]2CCCC(F)(F)C2)C1 ZINC000338285925 385942161 /nfs/dbraw/zinc/94/21/61/385942161.db2.gz UUSJELQELQMUQG-WDEREUQCSA-N 0 3 235.293 3.246 20 0 BGADHN CCC[C@@H]1CCCN(Cc2ccc(OC)cn2)C1 ZINC000338288616 385942002 /nfs/dbraw/zinc/94/20/02/385942002.db2.gz QWYWXNFZFUQCRO-CYBMUJFWSA-N 0 3 248.370 3.102 20 0 BGADHN CCC[C@H]1CCCN(Cc2ccc(OC)cn2)C1 ZINC000338288618 385942454 /nfs/dbraw/zinc/94/24/54/385942454.db2.gz QWYWXNFZFUQCRO-ZDUSSCGKSA-N 0 3 248.370 3.102 20 0 BGADHN CCC[C@H]1CCCCN1Cc1ccc(OC)cn1 ZINC000338296462 385956270 /nfs/dbraw/zinc/95/62/70/385956270.db2.gz MIXSMSBASBGMTC-AWEZNQCLSA-N 0 3 248.370 3.245 20 0 BGADHN CCC[C@@H]1CCCCN1Cc1ccc(OC)cn1 ZINC000338296464 385957584 /nfs/dbraw/zinc/95/75/84/385957584.db2.gz MIXSMSBASBGMTC-CQSZACIVSA-N 0 3 248.370 3.245 20 0 BGADHN C[C@@H](NC[C@@H]1CCCC(F)(F)C1)c1ccon1 ZINC000338302133 385953425 /nfs/dbraw/zinc/95/34/25/385953425.db2.gz QZVUGZONGDDQDA-NXEZZACHSA-N 0 3 244.285 3.151 20 0 BGADHN C[C@H](NC[C@H]1CCCC(F)(F)C1)c1ccon1 ZINC000338302134 385953342 /nfs/dbraw/zinc/95/33/42/385953342.db2.gz QZVUGZONGDDQDA-UWVGGRQHSA-N 0 3 244.285 3.151 20 0 BGADHN C[C@H](NC[C@@H]1CCCC(F)(F)C1)c1ccon1 ZINC000338302136 385953701 /nfs/dbraw/zinc/95/37/01/385953701.db2.gz QZVUGZONGDDQDA-VHSXEESVSA-N 0 3 244.285 3.151 20 0 BGADHN C[C@@H](NC[C@H]1CCCC(F)(F)C1)c1ccon1 ZINC000338302138 188017152 /nfs/dbraw/zinc/01/71/52/188017152.db2.gz QZVUGZONGDDQDA-ZJUUUORDSA-N 0 3 244.285 3.151 20 0 BGADHN COc1ccc(CN2C[C@H](C)CCC[C@H]2C)nc1 ZINC000338303301 188017100 /nfs/dbraw/zinc/01/71/00/188017100.db2.gz FACAGVYUCZSGAX-CHWSQXEVSA-N 0 3 248.370 3.101 20 0 BGADHN COc1ccc(CN2C[C@H](C)CCC[C@@H]2C)nc1 ZINC000338303305 385951683 /nfs/dbraw/zinc/95/16/83/385951683.db2.gz FACAGVYUCZSGAX-OLZOCXBDSA-N 0 3 248.370 3.101 20 0 BGADHN COc1ccc(CN2C[C@@H](C)CCC[C@H]2C)nc1 ZINC000338303308 385952298 /nfs/dbraw/zinc/95/22/98/385952298.db2.gz FACAGVYUCZSGAX-QWHCGFSZSA-N 0 3 248.370 3.101 20 0 BGADHN COc1ccc(CN2C[C@@H](C)CCC[C@@H]2C)nc1 ZINC000338303312 188188339 /nfs/dbraw/zinc/18/83/39/188188339.db2.gz FACAGVYUCZSGAX-STQMWFEESA-N 0 3 248.370 3.101 20 0 BGADHN CC[C@@]1(C)CCCN(Cc2ccc(OC)cn2)C1 ZINC000338304233 171198479 /nfs/dbraw/zinc/19/84/79/171198479.db2.gz IOLZGFPMSZRZNI-HNNXBMFYSA-N 0 3 248.370 3.102 20 0 BGADHN CC[C@]1(C)CCCN(Cc2ccc(OC)cn2)C1 ZINC000338304234 171712801 /nfs/dbraw/zinc/71/28/01/171712801.db2.gz IOLZGFPMSZRZNI-OAHLLOKOSA-N 0 3 248.370 3.102 20 0 BGADHN COc1ccc(CN2CCCC[C@H]2C(C)C)nc1 ZINC000338305397 175098688 /nfs/dbraw/zinc/09/86/88/175098688.db2.gz KWMQJKXZFLUOHW-HNNXBMFYSA-N 0 3 248.370 3.101 20 0 BGADHN COc1ccc(CN2CCCC[C@@H]2C(C)C)nc1 ZINC000338305399 175098787 /nfs/dbraw/zinc/09/87/87/175098787.db2.gz KWMQJKXZFLUOHW-OAHLLOKOSA-N 0 3 248.370 3.101 20 0 BGADHN COc1ccc(CN2CCCC(C)(C)CC2)nc1 ZINC000338312675 385963346 /nfs/dbraw/zinc/96/33/46/385963346.db2.gz FDPAUTQYAINRPS-UHFFFAOYSA-N 0 3 248.370 3.102 20 0 BGADHN CC[C@@H]1CCCN(Cc2ccc(OC)cn2)CC1 ZINC000338316489 350678562 /nfs/dbraw/zinc/67/85/62/350678562.db2.gz NSYUREAJLPKTKZ-CYBMUJFWSA-N 0 3 248.370 3.102 20 0 BGADHN CC[C@H]1CCCN(Cc2ccc(OC)cn2)CC1 ZINC000338316490 385967447 /nfs/dbraw/zinc/96/74/47/385967447.db2.gz NSYUREAJLPKTKZ-ZDUSSCGKSA-N 0 3 248.370 3.102 20 0 BGADHN CC[C@H]1CCCCCN1Cc1ccc(OC)cn1 ZINC000338323332 385959908 /nfs/dbraw/zinc/95/99/08/385959908.db2.gz YEKNRVUTTLKXAW-AWEZNQCLSA-N 0 3 248.370 3.245 20 0 BGADHN CC[C@@H]1CCCCCN1Cc1ccc(OC)cn1 ZINC000338323333 350678010 /nfs/dbraw/zinc/67/80/10/350678010.db2.gz YEKNRVUTTLKXAW-CQSZACIVSA-N 0 3 248.370 3.245 20 0 BGADHN CCOCCCN1CCC(C)=C(c2ccco2)C1 ZINC000338337604 170372150 /nfs/dbraw/zinc/37/21/50/170372150.db2.gz ABLZXDUGTIGIQL-UHFFFAOYSA-N 0 3 249.354 3.185 20 0 BGADHN Cc1oncc1CN(C)[C@H](C)C1CCCCC1 ZINC000338337768 385968876 /nfs/dbraw/zinc/96/88/76/385968876.db2.gz BXDPTQJPFGLWIB-LLVKDONJSA-N 0 3 236.359 3.384 20 0 BGADHN Cc1oncc1CN(C)[C@@H](C)C1CCCCC1 ZINC000338337770 385971766 /nfs/dbraw/zinc/97/17/66/385971766.db2.gz BXDPTQJPFGLWIB-NSHDSACASA-N 0 3 236.359 3.384 20 0 BGADHN Cc1cc(CN(C)[C@H](C)C2CCCCC2)on1 ZINC000338340273 385968943 /nfs/dbraw/zinc/96/89/43/385968943.db2.gz FBWSFSWQUNMFRF-GFCCVEGCSA-N 0 3 236.359 3.384 20 0 BGADHN Cc1cc(CN(C)[C@@H](C)C2CCCCC2)on1 ZINC000338340275 385971857 /nfs/dbraw/zinc/97/18/57/385971857.db2.gz FBWSFSWQUNMFRF-LBPRGKRZSA-N 0 3 236.359 3.384 20 0 BGADHN Cc1cc(CN(C)[C@H](C)C2CCCCC2)nn1C ZINC000338340825 385971382 /nfs/dbraw/zinc/97/13/82/385971382.db2.gz HKQPKEUKAZCWAL-CYBMUJFWSA-N 0 3 249.402 3.129 20 0 BGADHN Cc1cc(CN(C)[C@@H](C)C2CCCCC2)nn1C ZINC000338340829 385970535 /nfs/dbraw/zinc/97/05/35/385970535.db2.gz HKQPKEUKAZCWAL-ZDUSSCGKSA-N 0 3 249.402 3.129 20 0 BGADHN CCCN1CCC(C)=C(c2ccco2)C1 ZINC000338341602 169186161 /nfs/dbraw/zinc/18/61/61/169186161.db2.gz HBBUIBKKGJQFPS-UHFFFAOYSA-N 0 3 205.301 3.169 20 0 BGADHN Cc1cnc(CN(C)[C@H](C)C2CCCCC2)cn1 ZINC000338341748 385973907 /nfs/dbraw/zinc/97/39/07/385973907.db2.gz FVTQTNPIIFXVLA-CYBMUJFWSA-N 0 3 247.386 3.186 20 0 BGADHN Cc1cnc(CN(C)[C@@H](C)C2CCCCC2)cn1 ZINC000338341751 385972850 /nfs/dbraw/zinc/97/28/50/385972850.db2.gz FVTQTNPIIFXVLA-ZDUSSCGKSA-N 0 3 247.386 3.186 20 0 BGADHN Cc1ncc(CN(C)[C@H](C)C2CCCCC2)cn1 ZINC000338347151 180140187 /nfs/dbraw/zinc/14/01/87/180140187.db2.gz WGAQLAGZPHXENZ-GFCCVEGCSA-N 0 3 247.386 3.186 20 0 BGADHN Cc1ncc(CN(C)[C@@H](C)C2CCCCC2)cn1 ZINC000338347152 180141764 /nfs/dbraw/zinc/14/17/64/180141764.db2.gz WGAQLAGZPHXENZ-LBPRGKRZSA-N 0 3 247.386 3.186 20 0 BGADHN COc1ccc(CN2CCCCC(C)(C)C2)nc1 ZINC000338350282 188188303 /nfs/dbraw/zinc/18/83/03/188188303.db2.gz SWAMHENSFDCBSA-UHFFFAOYSA-N 0 3 248.370 3.102 20 0 BGADHN COc1ccc(CN(C)[C@@H]2CCC(C)(C)C2)nc1 ZINC000338351891 175096345 /nfs/dbraw/zinc/09/63/45/175096345.db2.gz CUXRGURFECNGQK-CYBMUJFWSA-N 0 3 248.370 3.101 20 0 BGADHN COc1ccc(CN(C)[C@H]2CCC(C)(C)C2)nc1 ZINC000338351893 188366016 /nfs/dbraw/zinc/36/60/16/188366016.db2.gz CUXRGURFECNGQK-ZDUSSCGKSA-N 0 3 248.370 3.101 20 0 BGADHN Cc1nccc(CN(C)[C@H](C)C2CCCCC2)n1 ZINC000338354436 180183276 /nfs/dbraw/zinc/18/32/76/180183276.db2.gz IVVPQMPCTAYOTP-GFCCVEGCSA-N 0 3 247.386 3.186 20 0 BGADHN Cc1nccc(CN(C)[C@@H](C)C2CCCCC2)n1 ZINC000338354439 180183767 /nfs/dbraw/zinc/18/37/67/180183767.db2.gz IVVPQMPCTAYOTP-LBPRGKRZSA-N 0 3 247.386 3.186 20 0 BGADHN C[C@H](N[C@H]1CCCC1(C)C)c1ccncc1F ZINC000338357356 385977698 /nfs/dbraw/zinc/97/76/98/385977698.db2.gz OPDXIEPSPUQTRT-GWCFXTLKSA-N 0 3 236.334 3.450 20 0 BGADHN C[C@H](N[C@@H]1CCCC1(C)C)c1ccncc1F ZINC000338357357 385978040 /nfs/dbraw/zinc/97/80/40/385978040.db2.gz OPDXIEPSPUQTRT-GXFFZTMASA-N 0 3 236.334 3.450 20 0 BGADHN C[C@@H](N[C@H]1CCCC1(C)C)c1ccncc1F ZINC000338357359 385976575 /nfs/dbraw/zinc/97/65/75/385976575.db2.gz OPDXIEPSPUQTRT-MFKMUULPSA-N 0 3 236.334 3.450 20 0 BGADHN C[C@@H](N[C@@H]1CCCC1(C)C)c1ccncc1F ZINC000338357360 385976936 /nfs/dbraw/zinc/97/69/36/385976936.db2.gz OPDXIEPSPUQTRT-ZWNOBZJWSA-N 0 3 236.334 3.450 20 0 BGADHN C[C@@H](NCCC1CCCC1)c1ccncc1F ZINC000338359992 385969178 /nfs/dbraw/zinc/96/91/78/385969178.db2.gz VKJCDKDYKPRNPC-LLVKDONJSA-N 0 3 236.334 3.452 20 0 BGADHN C[C@H](NCCC1CCCC1)c1ccncc1F ZINC000338359993 385969969 /nfs/dbraw/zinc/96/99/69/385969969.db2.gz VKJCDKDYKPRNPC-NSHDSACASA-N 0 3 236.334 3.452 20 0 BGADHN Cc1cccc2c1CN(CCSC(C)C)CC2 ZINC000338362583 179216623 /nfs/dbraw/zinc/21/66/23/179216623.db2.gz QNPYRPRECLEJEP-UHFFFAOYSA-N 0 3 249.423 3.495 20 0 BGADHN Cc1ccc2c(c1)CCN(CCSC(C)C)C2 ZINC000338362827 385986246 /nfs/dbraw/zinc/98/62/46/385986246.db2.gz OHMONCOCWBGWCG-UHFFFAOYSA-N 0 3 249.423 3.495 20 0 BGADHN C[C@@H](NCCc1ccccc1)c1ccncc1F ZINC000338365165 385978159 /nfs/dbraw/zinc/97/81/59/385978159.db2.gz GNKNDRPLSDAFQN-GFCCVEGCSA-N 0 3 244.313 3.114 20 0 BGADHN C[C@H](NCCc1ccccc1)c1ccncc1F ZINC000338365166 385976919 /nfs/dbraw/zinc/97/69/19/385976919.db2.gz GNKNDRPLSDAFQN-LBPRGKRZSA-N 0 3 244.313 3.114 20 0 BGADHN CCN(Cc1cc(F)ccc1F)CC(C)C ZINC000338388762 350682584 /nfs/dbraw/zinc/68/25/84/350682584.db2.gz DNGNUJDKUZOFGW-UHFFFAOYSA-N 0 3 227.298 3.443 20 0 BGADHN CC(C)[C@@H](C)N(C)Cc1nc2ccccc2o1 ZINC000338411175 167367476 /nfs/dbraw/zinc/36/74/76/167367476.db2.gz ULQLSMHCXSLGCQ-LLVKDONJSA-N 0 3 232.327 3.304 20 0 BGADHN CC(C)[C@H](C)N(C)Cc1nc2ccccc2o1 ZINC000338411182 188017006 /nfs/dbraw/zinc/01/70/06/188017006.db2.gz ULQLSMHCXSLGCQ-NSHDSACASA-N 0 3 232.327 3.304 20 0 BGADHN Cc1ccn2cc(CNCCCC(C)C)nc2c1 ZINC000338431656 385999937 /nfs/dbraw/zinc/99/99/37/385999937.db2.gz IROVBCNDFJIQRB-UHFFFAOYSA-N 0 3 245.370 3.169 20 0 BGADHN Cc1ccc2nc(CNCCCC(C)C)cn2c1 ZINC000338433231 385998770 /nfs/dbraw/zinc/99/87/70/385998770.db2.gz VVPBOOMCAPNDHZ-UHFFFAOYSA-N 0 3 245.370 3.169 20 0 BGADHN CC(C)CCCNCc1nccn1CC(C)C ZINC000338434655 385999106 /nfs/dbraw/zinc/99/91/06/385999106.db2.gz HHIAGXBDARYZCY-UHFFFAOYSA-N 0 3 237.391 3.065 20 0 BGADHN Cc1cccc2nc(CNCCCC(C)C)cn21 ZINC000338435322 179229103 /nfs/dbraw/zinc/22/91/03/179229103.db2.gz LZXXRMGPYKEDPH-UHFFFAOYSA-N 0 3 245.370 3.169 20 0 BGADHN CC(C)CCCN[C@H](C)c1nnc(C(C)C)[nH]1 ZINC000338435791 386000360 /nfs/dbraw/zinc/00/03/60/386000360.db2.gz FXDVALHGNIDPIB-LLVKDONJSA-N 0 3 238.379 3.015 20 0 BGADHN CC(C)CCC[NH2+][C@H](C)c1nnc(C(C)C)[n-]1 ZINC000338435791 386000350 /nfs/dbraw/zinc/00/03/50/386000350.db2.gz FXDVALHGNIDPIB-LLVKDONJSA-N 0 3 238.379 3.015 20 0 BGADHN CC(C)CCCN[C@@H](C)c1nnc(C(C)C)[nH]1 ZINC000338435796 385998233 /nfs/dbraw/zinc/99/82/33/385998233.db2.gz FXDVALHGNIDPIB-NSHDSACASA-N 0 3 238.379 3.015 20 0 BGADHN CC(C)CCC[NH2+][C@@H](C)c1nnc(C(C)C)[n-]1 ZINC000338435796 385998227 /nfs/dbraw/zinc/99/82/27/385998227.db2.gz FXDVALHGNIDPIB-NSHDSACASA-N 0 3 238.379 3.015 20 0 BGADHN Cc1cccc2nc(CNCCCC(C)C)[nH]c21 ZINC000338436263 179230545 /nfs/dbraw/zinc/23/05/45/179230545.db2.gz DZGYEWSHRMHJTE-UHFFFAOYSA-N 0 3 245.370 3.397 20 0 BGADHN Cc1cccc2[nH]c(CNCCCC(C)C)nc21 ZINC000338436263 179230544 /nfs/dbraw/zinc/23/05/44/179230544.db2.gz DZGYEWSHRMHJTE-UHFFFAOYSA-N 0 3 245.370 3.397 20 0 BGADHN CCOc1ncccc1CNCCCC(C)C ZINC000338437550 386001228 /nfs/dbraw/zinc/00/12/28/386001228.db2.gz UJUHNFZZFAIZEC-UHFFFAOYSA-N 0 3 236.359 3.006 20 0 BGADHN Cc1ccc2nc(CNCCCC(C)C)[nH]c2c1 ZINC000338440221 386003585 /nfs/dbraw/zinc/00/35/85/386003585.db2.gz OKVZJWJXGJLLCD-UHFFFAOYSA-N 0 3 245.370 3.397 20 0 BGADHN Cc1ccc2[nH]c(CNCCCC(C)C)nc2c1 ZINC000338440221 386003575 /nfs/dbraw/zinc/00/35/75/386003575.db2.gz OKVZJWJXGJLLCD-UHFFFAOYSA-N 0 3 245.370 3.397 20 0 BGADHN COc1cnccc1[C@@H](C)NCCCC(C)C ZINC000338443074 188189306 /nfs/dbraw/zinc/18/93/06/188189306.db2.gz YIVBQUGTFILNBR-GFCCVEGCSA-N 0 3 236.359 3.177 20 0 BGADHN COc1cnccc1[C@H](C)NCCCC(C)C ZINC000338443075 188545811 /nfs/dbraw/zinc/54/58/11/188545811.db2.gz YIVBQUGTFILNBR-LBPRGKRZSA-N 0 3 236.359 3.177 20 0 BGADHN COC[C@@H](NCCCC(C)C)c1ccc(C)o1 ZINC000338443453 386010254 /nfs/dbraw/zinc/01/02/54/386010254.db2.gz LAODKUNBIJKIAP-CYBMUJFWSA-N 0 3 239.359 3.301 20 0 BGADHN COC[C@H](NCCCC(C)C)c1ccc(C)o1 ZINC000338443456 386012374 /nfs/dbraw/zinc/01/23/74/386012374.db2.gz LAODKUNBIJKIAP-ZDUSSCGKSA-N 0 3 239.359 3.301 20 0 BGADHN CCc1noc(CC)c1CNCCCC(C)C ZINC000338451604 172083868 /nfs/dbraw/zinc/08/38/68/172083868.db2.gz HKVGFLWHKACAJN-UHFFFAOYSA-N 0 3 238.375 3.325 20 0 BGADHN CC1(C)SC[C@H]1NCc1cc2ccccc2o1 ZINC000338476649 188097542 /nfs/dbraw/zinc/09/75/42/188097542.db2.gz XXJHYVIGSJKBAW-CYBMUJFWSA-N 0 3 247.363 3.416 20 0 BGADHN CC1(C)SC[C@@H]1NCc1cc2ccccc2o1 ZINC000338476652 384914207 /nfs/dbraw/zinc/91/42/07/384914207.db2.gz XXJHYVIGSJKBAW-ZDUSSCGKSA-N 0 3 247.363 3.416 20 0 BGADHN CC1(C)SC[C@H]1NCc1coc2ccccc12 ZINC000338479975 388474770 /nfs/dbraw/zinc/47/47/70/388474770.db2.gz AEVHRMKLDVYPRQ-CYBMUJFWSA-N 0 3 247.363 3.416 20 0 BGADHN CC1(C)SC[C@@H]1NCc1coc2ccccc12 ZINC000338479976 388474942 /nfs/dbraw/zinc/47/49/42/388474942.db2.gz AEVHRMKLDVYPRQ-ZDUSSCGKSA-N 0 3 247.363 3.416 20 0 BGADHN CO[C@@H](CN(C)[C@H]1CC1(C)C)c1ccccc1 ZINC000338539066 386032915 /nfs/dbraw/zinc/03/29/15/386032915.db2.gz DGCYGPBYZWSUQO-KBPBESRZSA-N 0 3 233.355 3.104 20 0 BGADHN CO[C@H](CN(C)[C@H]1CC1(C)C)c1ccccc1 ZINC000338539067 386032856 /nfs/dbraw/zinc/03/28/56/386032856.db2.gz DGCYGPBYZWSUQO-KGLIPLIRSA-N 0 3 233.355 3.104 20 0 BGADHN CO[C@@H](CN(C)[C@@H]1CC1(C)C)c1ccccc1 ZINC000338539068 386031429 /nfs/dbraw/zinc/03/14/29/386031429.db2.gz DGCYGPBYZWSUQO-UONOGXRCSA-N 0 3 233.355 3.104 20 0 BGADHN CO[C@H](CN(C)[C@@H]1CC1(C)C)c1ccccc1 ZINC000338539069 386031464 /nfs/dbraw/zinc/03/14/64/386031464.db2.gz DGCYGPBYZWSUQO-ZIAGYGMSSA-N 0 3 233.355 3.104 20 0 BGADHN CO[C@@H](CN1CCC=C(C)C1)c1ccccc1 ZINC000338542313 386035383 /nfs/dbraw/zinc/03/53/83/386035383.db2.gz NIJRNAMEJBVYQL-HNNXBMFYSA-N 0 3 231.339 3.026 20 0 BGADHN CO[C@H](CN1CCC=C(C)C1)c1ccccc1 ZINC000338542314 386036355 /nfs/dbraw/zinc/03/63/55/386036355.db2.gz NIJRNAMEJBVYQL-OAHLLOKOSA-N 0 3 231.339 3.026 20 0 BGADHN CO[C@@H](CN1CCC12CCC2)c1ccccc1 ZINC000338547471 386040810 /nfs/dbraw/zinc/04/08/10/386040810.db2.gz ORLPLVSEOKCTCZ-AWEZNQCLSA-N 0 3 231.339 3.003 20 0 BGADHN CO[C@H](CN1CCC12CCC2)c1ccccc1 ZINC000338547473 386041294 /nfs/dbraw/zinc/04/12/94/386041294.db2.gz ORLPLVSEOKCTCZ-CQSZACIVSA-N 0 3 231.339 3.003 20 0 BGADHN CN(C)CCSCc1cnc2ccccc2c1 ZINC000338555852 386051769 /nfs/dbraw/zinc/05/17/69/386051769.db2.gz ZSAIMTFPEBSVHJ-UHFFFAOYSA-N 0 3 246.379 3.030 20 0 BGADHN CC1(C)CCC(CN2CCOCC23CC3)CC1 ZINC000338593890 386070686 /nfs/dbraw/zinc/07/06/86/386070686.db2.gz VSPTXZCPUNDJNU-UHFFFAOYSA-N 0 3 237.387 3.068 20 0 BGADHN CCC[C@@H](C)N1CCOc2cc(OC)ccc2C1 ZINC000338637439 169367039 /nfs/dbraw/zinc/36/70/39/169367039.db2.gz OFACRCCQRFCAJI-GFCCVEGCSA-N 0 3 249.354 3.078 20 0 BGADHN CCC[C@H](C)N1CCOc2cc(OC)ccc2C1 ZINC000338637440 386081377 /nfs/dbraw/zinc/08/13/77/386081377.db2.gz OFACRCCQRFCAJI-LBPRGKRZSA-N 0 3 249.354 3.078 20 0 BGADHN Cc1occc1CNC/C=C/c1ccccc1 ZINC000338708379 386111915 /nfs/dbraw/zinc/11/19/15/386111915.db2.gz ORHRMECCPUEHPL-VMPITWQZSA-N 0 3 227.307 3.391 20 0 BGADHN Cc1occc1CNC/C=C\c1ccccc1 ZINC000338708380 386112062 /nfs/dbraw/zinc/11/20/62/386112062.db2.gz ORHRMECCPUEHPL-YVMONPNESA-N 0 3 227.307 3.391 20 0 BGADHN CC[C@H](c1ccc(Cl)cc1)N(C)CCOC ZINC000338735811 386119829 /nfs/dbraw/zinc/11/98/29/386119829.db2.gz HYVWNWBPIIEJIZ-CYBMUJFWSA-N 0 3 241.762 3.369 20 0 BGADHN CC[C@@H](c1ccc(Cl)cc1)N(C)CCOC ZINC000338735812 350707221 /nfs/dbraw/zinc/70/72/21/350707221.db2.gz HYVWNWBPIIEJIZ-ZDUSSCGKSA-N 0 3 241.762 3.369 20 0 BGADHN Cc1ccc2nccc(NCC[C@@H](C)F)c2c1 ZINC000338748364 386125544 /nfs/dbraw/zinc/12/55/44/386125544.db2.gz FYZSGOXSJMQQFG-LLVKDONJSA-N 0 3 232.302 3.125 20 0 BGADHN Cc1ccc2nccc(NCC[C@H](C)F)c2c1 ZINC000338748365 386124967 /nfs/dbraw/zinc/12/49/67/386124967.db2.gz FYZSGOXSJMQQFG-NSHDSACASA-N 0 3 232.302 3.125 20 0 BGADHN Cc1cc(NCC[C@H](C)F)c2ccccc2n1 ZINC000338748882 386125963 /nfs/dbraw/zinc/12/59/63/386125963.db2.gz CMBZPZCPQATFIK-JTQLQIEISA-N 0 3 232.302 3.125 20 0 BGADHN Cc1cc(NCC[C@@H](C)F)c2ccccc2n1 ZINC000338748883 386125945 /nfs/dbraw/zinc/12/59/45/386125945.db2.gz CMBZPZCPQATFIK-SNVBAGLBSA-N 0 3 232.302 3.125 20 0 BGADHN CCCCN(CC)Cc1cccc2c1OCO2 ZINC000338777010 386129248 /nfs/dbraw/zinc/12/92/48/386129248.db2.gz WQWIOABHYPNNMT-UHFFFAOYSA-N 0 3 235.327 3.037 20 0 BGADHN CC(C)CCN(Cc1nccn1C)C1CCCC1 ZINC000338782117 386139453 /nfs/dbraw/zinc/13/94/53/386139453.db2.gz IOPPUPSRJREOLQ-UHFFFAOYSA-N 0 3 249.402 3.211 20 0 BGADHN CCCCN(Cc1nccn1C)C1CCCCC1 ZINC000338792759 386142516 /nfs/dbraw/zinc/14/25/16/386142516.db2.gz XDTWHBOATUTIIB-UHFFFAOYSA-N 0 3 249.402 3.355 20 0 BGADHN Cc1ccc2nccc(N3CCC[C@@H]3CF)c2c1 ZINC000338804882 384625565 /nfs/dbraw/zinc/62/55/65/384625565.db2.gz FMDSRHDRFXRCMN-GFCCVEGCSA-N 0 3 244.313 3.482 20 0 BGADHN Cc1ccc2nccc(N3CCC[C@H]3CF)c2c1 ZINC000338804883 384624629 /nfs/dbraw/zinc/62/46/29/384624629.db2.gz FMDSRHDRFXRCMN-LBPRGKRZSA-N 0 3 244.313 3.482 20 0 BGADHN C[C@H](CN(C)Cc1cnn(C)c1)C1CCCCC1 ZINC000338881397 386166817 /nfs/dbraw/zinc/16/68/17/386166817.db2.gz CCXDTKYCINPGHL-CYBMUJFWSA-N 0 3 249.402 3.068 20 0 BGADHN C[C@@H](CN(C)Cc1cnn(C)c1)C1CCCCC1 ZINC000338881398 386165670 /nfs/dbraw/zinc/16/56/70/386165670.db2.gz CCXDTKYCINPGHL-ZDUSSCGKSA-N 0 3 249.402 3.068 20 0 BGADHN C[C@H]1CC[C@H](N(C)Cc2ccccc2F)C1 ZINC000338886377 177203698 /nfs/dbraw/zinc/20/36/98/177203698.db2.gz GLAVRBLNKUFLGL-AAEUAGOBSA-N 0 3 221.319 3.446 20 0 BGADHN C[C@@H]1CC[C@@H](N(C)Cc2ccccc2F)C1 ZINC000338886378 176207854 /nfs/dbraw/zinc/20/78/54/176207854.db2.gz GLAVRBLNKUFLGL-DGCLKSJQSA-N 0 3 221.319 3.446 20 0 BGADHN C[C@H]1CC[C@@H](N(C)Cc2ccccc2F)C1 ZINC000338886379 177191527 /nfs/dbraw/zinc/19/15/27/177191527.db2.gz GLAVRBLNKUFLGL-WCQYABFASA-N 0 3 221.319 3.446 20 0 BGADHN C[C@@H]1CC[C@H](N(C)Cc2ccccc2F)C1 ZINC000338886603 176228906 /nfs/dbraw/zinc/22/89/06/176228906.db2.gz GLAVRBLNKUFLGL-YPMHNXCESA-N 0 3 221.319 3.446 20 0 BGADHN CCCCN(CC)Cc1ccc(CC)cn1 ZINC000338886687 386174252 /nfs/dbraw/zinc/17/42/52/386174252.db2.gz GFGBYPYGCJOFLF-UHFFFAOYSA-N 0 3 220.360 3.266 20 0 BGADHN CCc1ccc(CN(C)C2CCCC2)nc1 ZINC000338892556 386169769 /nfs/dbraw/zinc/16/97/69/386169769.db2.gz SAPIKGQKQATCOX-UHFFFAOYSA-N 0 3 218.344 3.018 20 0 BGADHN CCc1nc(C(C)C)ccc1CN1CCCC1 ZINC000338894154 350718087 /nfs/dbraw/zinc/71/80/87/350718087.db2.gz DUVNHWVUZUWMGQ-UHFFFAOYSA-N 0 3 232.371 3.363 20 0 BGADHN CCc1ccc(CN2CCCC[C@@H]2CC)nc1 ZINC000338895634 386169559 /nfs/dbraw/zinc/16/95/59/386169559.db2.gz QSAAUPMKVQXPIT-HNNXBMFYSA-N 0 3 232.371 3.409 20 0 BGADHN CCc1ccc(CN2CCCC[C@H]2CC)nc1 ZINC000338895635 386168826 /nfs/dbraw/zinc/16/88/26/386168826.db2.gz QSAAUPMKVQXPIT-OAHLLOKOSA-N 0 3 232.371 3.409 20 0 BGADHN Cc1ccc(CN(C)[C@H]2CC[C@@H](C)C2)o1 ZINC000338895946 386169071 /nfs/dbraw/zinc/16/90/71/386169071.db2.gz RBRXHPJSCIZUBU-PWSUYJOCSA-N 0 3 207.317 3.208 20 0 BGADHN Cc1ccc(CN(C)[C@@H]2CC[C@@H](C)C2)o1 ZINC000338895947 386169925 /nfs/dbraw/zinc/16/99/25/386169925.db2.gz RBRXHPJSCIZUBU-ZYHUDNBSSA-N 0 3 207.317 3.208 20 0 BGADHN CCC[C@@H](C)N(C)Cc1ccc(CC)cn1 ZINC000338897065 169365267 /nfs/dbraw/zinc/36/52/67/169365267.db2.gz ARDDYLILSWNLFL-GFCCVEGCSA-N 0 3 220.360 3.264 20 0 BGADHN CCC[C@H](C)N(C)Cc1ccc(CC)cn1 ZINC000338897067 386169535 /nfs/dbraw/zinc/16/95/35/386169535.db2.gz ARDDYLILSWNLFL-LBPRGKRZSA-N 0 3 220.360 3.264 20 0 BGADHN CCc1ccc(CN2C[C@H](C)C[C@H](C)C2)nc1 ZINC000338899316 386171511 /nfs/dbraw/zinc/17/15/11/386171511.db2.gz GBOZYJKXRZTWKK-BETUJISGSA-N 0 3 232.371 3.122 20 0 BGADHN CCc1ccc(CN2C[C@H](C)C[C@@H](C)C2)nc1 ZINC000338899317 386171896 /nfs/dbraw/zinc/17/18/96/386171896.db2.gz GBOZYJKXRZTWKK-CHWSQXEVSA-N 0 3 232.371 3.122 20 0 BGADHN CCc1ccc(CN2C[C@@H](C)C[C@H](C)C2)nc1 ZINC000338899318 386172501 /nfs/dbraw/zinc/17/25/01/386172501.db2.gz GBOZYJKXRZTWKK-STQMWFEESA-N 0 3 232.371 3.122 20 0 BGADHN CCc1ccc(CN2CCC[C@H](CC)C2)nc1 ZINC000338899569 386171983 /nfs/dbraw/zinc/17/19/83/386171983.db2.gz ZCWHLVWZKIUKSB-AWEZNQCLSA-N 0 3 232.371 3.266 20 0 BGADHN CCc1ccc(CN2CCC[C@@H](CC)C2)nc1 ZINC000338899570 386172371 /nfs/dbraw/zinc/17/23/71/386172371.db2.gz ZCWHLVWZKIUKSB-CQSZACIVSA-N 0 3 232.371 3.266 20 0 BGADHN Cc1nc(C(C)C)ccc1CN1CCCCC1 ZINC000338901051 386171011 /nfs/dbraw/zinc/17/10/11/386171011.db2.gz FXWKHJYZQCBMLY-UHFFFAOYSA-N 0 3 232.371 3.499 20 0 BGADHN CCCCN(Cc1ccc(CC)cn1)C1CC1 ZINC000338906035 386176291 /nfs/dbraw/zinc/17/62/91/386176291.db2.gz UYCYVIOHGHVRTG-UHFFFAOYSA-N 0 3 232.371 3.409 20 0 BGADHN CCc1ccc(CN(CC(C)C)C2CC2)nc1 ZINC000338906372 386176696 /nfs/dbraw/zinc/17/66/96/386176696.db2.gz TWPGHKGKNVMELH-UHFFFAOYSA-N 0 3 232.371 3.264 20 0 BGADHN CCc1ccc(CN(C(C)C)C2CC2)nc1 ZINC000338906796 386177888 /nfs/dbraw/zinc/17/78/88/386177888.db2.gz HNIBMYFUYADFNX-UHFFFAOYSA-N 0 3 218.344 3.017 20 0 BGADHN CCc1ccc(CN2CCCC[C@H]2C)nc1 ZINC000338907021 386177385 /nfs/dbraw/zinc/17/73/85/386177385.db2.gz OJAMYXLUZFTOPB-GFCCVEGCSA-N 0 3 218.344 3.018 20 0 BGADHN CCc1ccc(CN2CCCC[C@@H]2C)nc1 ZINC000338907022 386177318 /nfs/dbraw/zinc/17/73/18/386177318.db2.gz OJAMYXLUZFTOPB-LBPRGKRZSA-N 0 3 218.344 3.018 20 0 BGADHN CCc1ccc(CN2CCCCCC2)nc1 ZINC000338907848 384962871 /nfs/dbraw/zinc/96/28/71/384962871.db2.gz UXJKFCUYPOFPFI-UHFFFAOYSA-N 0 3 218.344 3.020 20 0 BGADHN CC(C)COc1ccccc1CN1CCCC1 ZINC000338908281 386173722 /nfs/dbraw/zinc/17/37/22/386173722.db2.gz QFQUJTRVQCTPML-UHFFFAOYSA-N 0 3 233.355 3.317 20 0 BGADHN CCc1ccc(CN([C@H](C)C2CC2)C2CC2)nc1 ZINC000338908379 386174279 /nfs/dbraw/zinc/17/42/79/386174279.db2.gz SCUZGEHCVJKAKC-GFCCVEGCSA-N 0 3 244.382 3.407 20 0 BGADHN CCc1ccc(CN([C@@H](C)C2CC2)C2CC2)nc1 ZINC000338908380 386174784 /nfs/dbraw/zinc/17/47/84/386174784.db2.gz SCUZGEHCVJKAKC-LBPRGKRZSA-N 0 3 244.382 3.407 20 0 BGADHN CCN(C)Cc1ccccc1OCC(C)C ZINC000338917537 386179780 /nfs/dbraw/zinc/17/97/80/386179780.db2.gz HPXRHSWJGKQONI-UHFFFAOYSA-N 0 3 221.344 3.173 20 0 BGADHN CC(C)COc1ccccc1CN(C)C1CC1 ZINC000338926997 188189743 /nfs/dbraw/zinc/18/97/43/188189743.db2.gz FYMQIPYJTDAKLI-UHFFFAOYSA-N 0 3 233.355 3.316 20 0 BGADHN CCc1ccc(CN2CCC(CC)CC2)nc1 ZINC000338927296 386182811 /nfs/dbraw/zinc/18/28/11/386182811.db2.gz QWSACORFCXYREQ-UHFFFAOYSA-N 0 3 232.371 3.266 20 0 BGADHN CCc1ccc(CN2CCC[C@@H](C)CC2)nc1 ZINC000338932882 386181985 /nfs/dbraw/zinc/18/19/85/386181985.db2.gz CLMJLOSSZGVPQV-CYBMUJFWSA-N 0 3 232.371 3.266 20 0 BGADHN CCc1ccc(CN2CCC[C@H](C)CC2)nc1 ZINC000338932883 386182793 /nfs/dbraw/zinc/18/27/93/386182793.db2.gz CLMJLOSSZGVPQV-ZDUSSCGKSA-N 0 3 232.371 3.266 20 0 BGADHN Cc1ccccc1CN(C[C@@H]1CCCO1)C1CC1 ZINC000338934284 179271982 /nfs/dbraw/zinc/27/19/82/179271982.db2.gz RLKNDUSONBUOQB-INIZCTEOSA-N 0 3 245.366 3.138 20 0 BGADHN Cc1ccccc1CN(C[C@H]1CCCO1)C1CC1 ZINC000338934285 179271167 /nfs/dbraw/zinc/27/11/67/179271167.db2.gz RLKNDUSONBUOQB-MRXNPFEDSA-N 0 3 245.366 3.138 20 0 BGADHN CCc1ccc(CN(C)CC2CCCC2)nc1 ZINC000338940616 386188140 /nfs/dbraw/zinc/18/81/40/386188140.db2.gz CGWBSXMLWMPTNC-UHFFFAOYSA-N 0 3 232.371 3.266 20 0 BGADHN Fc1ccc(CN2CCCCC2)c2ncccc12 ZINC000338943990 386182484 /nfs/dbraw/zinc/18/24/84/386182484.db2.gz CCENRNVMTHQZNC-UHFFFAOYSA-N 0 3 244.313 3.360 20 0 BGADHN CC1CN(Cc2csc3ccccc23)C1 ZINC000338951975 168191933 /nfs/dbraw/zinc/19/19/33/168191933.db2.gz KHGIUDQDXLWROC-UHFFFAOYSA-N 0 3 217.337 3.353 20 0 BGADHN CCc1ccc(CN(C)CC(C)(C)C)nc1 ZINC000338953070 386184489 /nfs/dbraw/zinc/18/44/89/386184489.db2.gz CNMVOFXZWUCOGB-UHFFFAOYSA-N 0 3 220.360 3.122 20 0 BGADHN CCn1nccc1CN(C)[C@H](C)C1CCCCC1 ZINC000338953522 172264837 /nfs/dbraw/zinc/26/48/37/172264837.db2.gz DMSYKIWSHNTXFP-CYBMUJFWSA-N 0 3 249.402 3.304 20 0 BGADHN CCn1nccc1CN(C)[C@@H](C)C1CCCCC1 ZINC000338953523 172262860 /nfs/dbraw/zinc/26/28/60/172262860.db2.gz DMSYKIWSHNTXFP-ZDUSSCGKSA-N 0 3 249.402 3.304 20 0 BGADHN CCc1oc2ccccc2c1CN1CC(C)C1 ZINC000338953703 172112904 /nfs/dbraw/zinc/11/29/04/172112904.db2.gz KOGGNLMPDBRIBP-UHFFFAOYSA-N 0 3 229.323 3.447 20 0 BGADHN C=Cn1cc(CN(C)[C@H](C)C2CCCCC2)cn1 ZINC000338954085 188189302 /nfs/dbraw/zinc/18/93/02/188189302.db2.gz IAWAOYHEMQPSEQ-CYBMUJFWSA-N 0 3 247.386 3.384 20 0 BGADHN C=Cn1cc(CN(C)[C@@H](C)C2CCCCC2)cn1 ZINC000338954087 386185324 /nfs/dbraw/zinc/18/53/24/386185324.db2.gz IAWAOYHEMQPSEQ-ZDUSSCGKSA-N 0 3 247.386 3.384 20 0 BGADHN CCc1ccc(CN2CCC(C)(C)CC2)nc1 ZINC000338954691 386184566 /nfs/dbraw/zinc/18/45/66/386184566.db2.gz KOZNPVGCTIQVTJ-UHFFFAOYSA-N 0 3 232.371 3.266 20 0 BGADHN CC1CN(Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000338955137 168191637 /nfs/dbraw/zinc/19/16/37/168191637.db2.gz BNAKNZBCJIRISN-UHFFFAOYSA-N 0 3 245.244 3.037 20 0 BGADHN Cc1nc(C(C)C)ccc1CN1CC[C@@H](C)C1 ZINC000338955151 386185234 /nfs/dbraw/zinc/18/52/34/386185234.db2.gz DPEKUCQDNDRPES-GFCCVEGCSA-N 0 3 232.371 3.355 20 0 BGADHN Cc1nc(C(C)C)ccc1CN1CC[C@H](C)C1 ZINC000338955152 386185942 /nfs/dbraw/zinc/18/59/42/386185942.db2.gz DPEKUCQDNDRPES-LBPRGKRZSA-N 0 3 232.371 3.355 20 0 BGADHN Cc1oc2ccccc2c1CN1CC(C)C1 ZINC000338956565 180534062 /nfs/dbraw/zinc/53/40/62/180534062.db2.gz KEDSSEBVUZDTQH-UHFFFAOYSA-N 0 3 215.296 3.193 20 0 BGADHN CCn1cc(CN(C)[C@H](C)C2CCCCC2)cn1 ZINC000338957710 172162365 /nfs/dbraw/zinc/16/23/65/172162365.db2.gz JSJUKEVNLDCJGB-CYBMUJFWSA-N 0 3 249.402 3.304 20 0 BGADHN CCn1cc(CN(C)[C@@H](C)C2CCCCC2)cn1 ZINC000338957711 172162498 /nfs/dbraw/zinc/16/24/98/172162498.db2.gz JSJUKEVNLDCJGB-ZDUSSCGKSA-N 0 3 249.402 3.304 20 0 BGADHN CCSc1cccc(CN2CC(C)C2)c1 ZINC000338958093 386183830 /nfs/dbraw/zinc/18/38/30/386183830.db2.gz PSQREHYYDNEBJU-UHFFFAOYSA-N 0 3 221.369 3.250 20 0 BGADHN CC1CN(Cc2cccc(-c3ccccn3)c2)C1 ZINC000338958443 168191678 /nfs/dbraw/zinc/19/16/78/168191678.db2.gz RTWDGTWOWDWVMS-UHFFFAOYSA-N 0 3 238.334 3.200 20 0 BGADHN CCCN(Cc1ccc(CC)cn1)C1CC1 ZINC000338964872 169175613 /nfs/dbraw/zinc/17/56/13/169175613.db2.gz UPVHYSRUPXYUHP-UHFFFAOYSA-N 0 3 218.344 3.018 20 0 BGADHN CC(C)[C@H](C)N(C)Cc1cc(F)ccc1F ZINC000338972447 386192898 /nfs/dbraw/zinc/19/28/98/386192898.db2.gz GRIKHCFZWUZSSE-JTQLQIEISA-N 0 3 227.298 3.441 20 0 BGADHN CC(C)[C@@H](C)N(C)Cc1cc(F)ccc1F ZINC000338972459 167369004 /nfs/dbraw/zinc/36/90/04/167369004.db2.gz GRIKHCFZWUZSSE-SNVBAGLBSA-N 0 3 227.298 3.441 20 0 BGADHN Cc1ccc2nc(CN(C)[C@H](C)C(C)C)cn2c1 ZINC000338973784 386192293 /nfs/dbraw/zinc/19/22/93/386192293.db2.gz SBORJDFYMVVKNY-CYBMUJFWSA-N 0 3 245.370 3.119 20 0 BGADHN Cc1ccc2nc(CN(C)[C@@H](C)C(C)C)cn2c1 ZINC000338973787 386192315 /nfs/dbraw/zinc/19/23/15/386192315.db2.gz SBORJDFYMVVKNY-ZDUSSCGKSA-N 0 3 245.370 3.119 20 0 BGADHN CCc1ccc(CN2[C@H](C)CCC[C@@H]2C)nc1 ZINC000338983567 386196044 /nfs/dbraw/zinc/19/60/44/386196044.db2.gz FAVSOMHHTXETDE-BETUJISGSA-N 0 3 232.371 3.407 20 0 BGADHN CCc1ccc(CN2[C@H](C)CCC[C@H]2C)nc1 ZINC000338983568 386194845 /nfs/dbraw/zinc/19/48/45/386194845.db2.gz FAVSOMHHTXETDE-CHWSQXEVSA-N 0 3 232.371 3.407 20 0 BGADHN CCc1ccc(CN2[C@@H](C)CCC[C@@H]2C)nc1 ZINC000338983569 386194836 /nfs/dbraw/zinc/19/48/36/386194836.db2.gz FAVSOMHHTXETDE-STQMWFEESA-N 0 3 232.371 3.407 20 0 BGADHN CCc1ncc(CN(C)[C@@H]2CC[C@@H](C)C2)s1 ZINC000338990943 188018551 /nfs/dbraw/zinc/01/85/51/188018551.db2.gz XQIUOVUKVKONPX-GHMZBOCLSA-N 0 3 238.400 3.326 20 0 BGADHN CCc1ncc(CN(C)[C@H]2CC[C@@H](C)C2)s1 ZINC000338990944 188366879 /nfs/dbraw/zinc/36/68/79/188366879.db2.gz XQIUOVUKVKONPX-MNOVXSKESA-N 0 3 238.400 3.326 20 0 BGADHN CCc1ccc(CN2CCCC(C)(C)C2)nc1 ZINC000338993953 386199189 /nfs/dbraw/zinc/19/91/89/386199189.db2.gz BQPHYFOVDQBGIX-UHFFFAOYSA-N 0 3 232.371 3.266 20 0 BGADHN CCc1ccc(CN(C)C[C@H](C)CC)nc1 ZINC000338994452 386198956 /nfs/dbraw/zinc/19/89/56/386198956.db2.gz GJUXNLGJVRVHGF-GFCCVEGCSA-N 0 3 220.360 3.122 20 0 BGADHN CCc1ccc(CN(C)C[C@@H](C)CC)nc1 ZINC000338994453 386196826 /nfs/dbraw/zinc/19/68/26/386196826.db2.gz GJUXNLGJVRVHGF-LBPRGKRZSA-N 0 3 220.360 3.122 20 0 BGADHN CCc1ccc(CN(CC)C2CCC2)nc1 ZINC000339002978 386200845 /nfs/dbraw/zinc/20/08/45/386200845.db2.gz LYOTYKXJVHYACK-UHFFFAOYSA-N 0 3 218.344 3.018 20 0 BGADHN CCc1ccc(CN2CCC[C@@H](C)[C@H]2C)nc1 ZINC000339005524 386201590 /nfs/dbraw/zinc/20/15/90/386201590.db2.gz TXRBRJVJTOUBML-CHWSQXEVSA-N 0 3 232.371 3.264 20 0 BGADHN CCc1ccc(CN2CCC[C@@H](C)[C@@H]2C)nc1 ZINC000339005525 386202103 /nfs/dbraw/zinc/20/21/03/386202103.db2.gz TXRBRJVJTOUBML-OLZOCXBDSA-N 0 3 232.371 3.264 20 0 BGADHN CCc1ccc(CN2CCC[C@H](C)[C@H]2C)nc1 ZINC000339005526 386201219 /nfs/dbraw/zinc/20/12/19/386201219.db2.gz TXRBRJVJTOUBML-QWHCGFSZSA-N 0 3 232.371 3.264 20 0 BGADHN CCc1ccc(CN2CCC[C@H](C)[C@@H]2C)nc1 ZINC000339005527 386201317 /nfs/dbraw/zinc/20/13/17/386201317.db2.gz TXRBRJVJTOUBML-STQMWFEESA-N 0 3 232.371 3.264 20 0 BGADHN CCCCN(Cc1ccc(C)o1)C1CC1 ZINC000339008330 386207137 /nfs/dbraw/zinc/20/71/37/386207137.db2.gz HATMJRQOWYXNGW-UHFFFAOYSA-N 0 3 207.317 3.353 20 0 BGADHN Cc1nc(C(C)C)ccc1CN1CCC[C@H]1C ZINC000339009313 386206188 /nfs/dbraw/zinc/20/61/88/386206188.db2.gz AXOJVRUVAQTIBD-GFCCVEGCSA-N 0 3 232.371 3.498 20 0 BGADHN Cc1nc(C(C)C)ccc1CN1CCC[C@@H]1C ZINC000339009314 386207475 /nfs/dbraw/zinc/20/74/75/386207475.db2.gz AXOJVRUVAQTIBD-LBPRGKRZSA-N 0 3 232.371 3.498 20 0 BGADHN CCc1ccc(CN2C[C@H](C)CC[C@H]2C)nc1 ZINC000339011313 386208847 /nfs/dbraw/zinc/20/88/47/386208847.db2.gz OZKPMOPKHSCLAG-CHWSQXEVSA-N 0 3 232.371 3.264 20 0 BGADHN CCc1ccc(CN2C[C@H](C)CC[C@@H]2C)nc1 ZINC000339011315 386209541 /nfs/dbraw/zinc/20/95/41/386209541.db2.gz OZKPMOPKHSCLAG-OLZOCXBDSA-N 0 3 232.371 3.264 20 0 BGADHN CCc1ccc(CN2C[C@@H](C)CC[C@H]2C)nc1 ZINC000339011317 386208685 /nfs/dbraw/zinc/20/86/85/386208685.db2.gz OZKPMOPKHSCLAG-QWHCGFSZSA-N 0 3 232.371 3.264 20 0 BGADHN CCc1ccc(CN2C[C@@H](C)CC[C@@H]2C)nc1 ZINC000339011319 386209245 /nfs/dbraw/zinc/20/92/45/386209245.db2.gz OZKPMOPKHSCLAG-STQMWFEESA-N 0 3 232.371 3.264 20 0 BGADHN CCc1ccc(CN(C)[C@H](C)C2(C)CC2)nc1 ZINC000339015244 386211739 /nfs/dbraw/zinc/21/17/39/386211739.db2.gz HIYWRVZMTTZDKO-GFCCVEGCSA-N 0 3 232.371 3.264 20 0 BGADHN CCc1ccc(CN(C)[C@@H](C)C2(C)CC2)nc1 ZINC000339015245 386213169 /nfs/dbraw/zinc/21/31/69/386213169.db2.gz HIYWRVZMTTZDKO-LBPRGKRZSA-N 0 3 232.371 3.264 20 0 BGADHN CCc1ccc(CN2CC[C@](C)(CC)C2)nc1 ZINC000339016443 386212225 /nfs/dbraw/zinc/21/22/25/386212225.db2.gz AVLCWHPLOUEPPX-HNNXBMFYSA-N 0 3 232.371 3.266 20 0 BGADHN CCc1ccc(CN2CC[C@@](C)(CC)C2)nc1 ZINC000339016445 386213539 /nfs/dbraw/zinc/21/35/39/386213539.db2.gz AVLCWHPLOUEPPX-OAHLLOKOSA-N 0 3 232.371 3.266 20 0 BGADHN CCc1ccc(CN2CCC3(CCC3)C2)nc1 ZINC000339016539 386213075 /nfs/dbraw/zinc/21/30/75/386213075.db2.gz CASWQBHCKBRHCO-UHFFFAOYSA-N 0 3 230.355 3.020 20 0 BGADHN C[C@@H](c1ccccc1)N(C[C@@H]1CCCO1)C1CC1 ZINC000339028159 176020486 /nfs/dbraw/zinc/02/04/86/176020486.db2.gz KDCGNTFZRZWKMH-BBRMVZONSA-N 0 3 245.366 3.391 20 0 BGADHN C[C@H](c1ccccc1)N(C[C@@H]1CCCO1)C1CC1 ZINC000339028161 177038960 /nfs/dbraw/zinc/03/89/60/177038960.db2.gz KDCGNTFZRZWKMH-CJNGLKHVSA-N 0 3 245.366 3.391 20 0 BGADHN C[C@H](c1ccccc1)N(C[C@H]1CCCO1)C1CC1 ZINC000339028163 177038775 /nfs/dbraw/zinc/03/87/75/177038775.db2.gz KDCGNTFZRZWKMH-CZUORRHYSA-N 0 3 245.366 3.391 20 0 BGADHN C[C@@H](c1ccccc1)N(C[C@H]1CCCO1)C1CC1 ZINC000339028165 176020579 /nfs/dbraw/zinc/02/05/79/176020579.db2.gz KDCGNTFZRZWKMH-XJKSGUPXSA-N 0 3 245.366 3.391 20 0 BGADHN CCCCN(CCCC)Cc1cnc(C)nc1 ZINC000339053989 386228039 /nfs/dbraw/zinc/22/80/39/386228039.db2.gz GYYWZEPILZNLLW-UHFFFAOYSA-N 0 3 235.375 3.187 20 0 BGADHN CCc1ccc(CN2CC[C@@H](C)[C@H](C)C2)nc1 ZINC000339060845 386228843 /nfs/dbraw/zinc/22/88/43/386228843.db2.gz YCBUHENVTFJDOX-CHWSQXEVSA-N 0 3 232.371 3.122 20 0 BGADHN CCc1ccc(CN2CC[C@@H](C)[C@@H](C)C2)nc1 ZINC000339060846 386229278 /nfs/dbraw/zinc/22/92/78/386229278.db2.gz YCBUHENVTFJDOX-OLZOCXBDSA-N 0 3 232.371 3.122 20 0 BGADHN CCc1ccc(CN2CC[C@H](C)[C@H](C)C2)nc1 ZINC000339060847 386230111 /nfs/dbraw/zinc/23/01/11/386230111.db2.gz YCBUHENVTFJDOX-QWHCGFSZSA-N 0 3 232.371 3.122 20 0 BGADHN CCc1ccc(CN2CC[C@H](C)[C@@H](C)C2)nc1 ZINC000339060848 386230161 /nfs/dbraw/zinc/23/01/61/386230161.db2.gz YCBUHENVTFJDOX-STQMWFEESA-N 0 3 232.371 3.122 20 0 BGADHN CCCN1CCn2cccc2[C@@H]1c1ccccc1 ZINC000339074140 169210686 /nfs/dbraw/zinc/21/06/86/169210686.db2.gz OLOSNPANEBHAIC-INIZCTEOSA-N 0 3 240.350 3.303 20 0 BGADHN CCCN1CCn2cccc2[C@H]1c1ccccc1 ZINC000339074141 169210465 /nfs/dbraw/zinc/21/04/65/169210465.db2.gz OLOSNPANEBHAIC-MRXNPFEDSA-N 0 3 240.350 3.303 20 0 BGADHN CCc1ccc(CN(C)C[C@H]2CC=CCC2)nc1 ZINC000339085474 386235200 /nfs/dbraw/zinc/23/52/00/386235200.db2.gz XECPOYZTHIREKN-HNNXBMFYSA-N 0 3 244.382 3.432 20 0 BGADHN CCc1ccc(CN(C)C[C@@H]2CC=CCC2)nc1 ZINC000339085475 386236043 /nfs/dbraw/zinc/23/60/43/386236043.db2.gz XECPOYZTHIREKN-OAHLLOKOSA-N 0 3 244.382 3.432 20 0 BGADHN CCCCCN(Cc1cnc(C)nc1)C(C)C ZINC000339094502 386243033 /nfs/dbraw/zinc/24/30/33/386243033.db2.gz VBIZJAALRVEFMV-UHFFFAOYSA-N 0 3 235.375 3.186 20 0 BGADHN CCc1ccc(CN2CCCC3(CC3)C2)nc1 ZINC000339096003 386243399 /nfs/dbraw/zinc/24/33/99/386243399.db2.gz GSRQEMAMYCTTRL-UHFFFAOYSA-N 0 3 230.355 3.020 20 0 BGADHN CCc1ccc(CN(CC)CCC2CC2)nc1 ZINC000339097871 386247336 /nfs/dbraw/zinc/24/73/36/386247336.db2.gz YTPRQECNAMZFJY-UHFFFAOYSA-N 0 3 232.371 3.266 20 0 BGADHN CN(C)CCS[C@H]1CCCc2ccccc21 ZINC000339119579 386249294 /nfs/dbraw/zinc/24/92/94/386249294.db2.gz SRNMKPSVNHIRFS-AWEZNQCLSA-N 0 3 235.396 3.359 20 0 BGADHN CN(C)CCS[C@@H]1CCCc2ccccc21 ZINC000339119581 386249132 /nfs/dbraw/zinc/24/91/32/386249132.db2.gz SRNMKPSVNHIRFS-CQSZACIVSA-N 0 3 235.396 3.359 20 0 BGADHN CCc1ccc(CN(C)[C@H]2CC[C@@H](C)C2)nc1 ZINC000339125037 386251684 /nfs/dbraw/zinc/25/16/84/386251684.db2.gz MNJDJMNJVABQMJ-DOMZBBRYSA-N 0 3 232.371 3.264 20 0 BGADHN CCc1ccc(CN(C)[C@@H]2CC[C@@H](C)C2)nc1 ZINC000339125040 386251334 /nfs/dbraw/zinc/25/13/34/386251334.db2.gz MNJDJMNJVABQMJ-IUODEOHRSA-N 0 3 232.371 3.264 20 0 BGADHN CCc1ccc(CN(C)[C@@H]2CC[C@H](C)C2)nc1 ZINC000339125041 386251591 /nfs/dbraw/zinc/25/15/91/386251591.db2.gz MNJDJMNJVABQMJ-SWLSCSKDSA-N 0 3 232.371 3.264 20 0 BGADHN CCc1ccc(CN(C)[C@H]2CC[C@H](C)C2)nc1 ZINC000339125044 386252033 /nfs/dbraw/zinc/25/20/33/386252033.db2.gz MNJDJMNJVABQMJ-WFASDCNBSA-N 0 3 232.371 3.264 20 0 BGADHN COCc1ccc(CN(C)[C@H]2CC2(C)C)cc1 ZINC000339132875 386264359 /nfs/dbraw/zinc/26/43/59/386264359.db2.gz LJOMGZGEKKQIDI-AWEZNQCLSA-N 0 3 233.355 3.063 20 0 BGADHN COCc1ccc(CN(C)[C@@H]2CC2(C)C)cc1 ZINC000339132877 386265155 /nfs/dbraw/zinc/26/51/55/386265155.db2.gz LJOMGZGEKKQIDI-CQSZACIVSA-N 0 3 233.355 3.063 20 0 BGADHN CCC[C@H](C)N(C)Cc1cn2ccsc2n1 ZINC000339138024 386259050 /nfs/dbraw/zinc/25/90/50/386259050.db2.gz YLHDRPVKDPNLBI-JTQLQIEISA-N 0 3 237.372 3.016 20 0 BGADHN CCC[C@@H](C)N(C)Cc1cn2ccsc2n1 ZINC000339138026 169365757 /nfs/dbraw/zinc/36/57/57/169365757.db2.gz YLHDRPVKDPNLBI-SNVBAGLBSA-N 0 3 237.372 3.016 20 0 BGADHN CCN(Cc1cn2ccsc2n1)C1CCCC1 ZINC000339139330 350736157 /nfs/dbraw/zinc/73/61/57/350736157.db2.gz DTNKHPDTHZZPFI-UHFFFAOYSA-N 0 3 249.383 3.160 20 0 BGADHN CC(C)[C@H]1CCCN1Cc1cn2ccsc2n1 ZINC000339140843 386260995 /nfs/dbraw/zinc/26/09/95/386260995.db2.gz NVFMAIIPZQRSFY-GFCCVEGCSA-N 0 3 249.383 3.016 20 0 BGADHN CC(C)[C@@H]1CCCN1Cc1cn2ccsc2n1 ZINC000339140844 386261909 /nfs/dbraw/zinc/26/19/09/386261909.db2.gz NVFMAIIPZQRSFY-LBPRGKRZSA-N 0 3 249.383 3.016 20 0 BGADHN C[C@H](CN(C)Cc1ccnn1C)C1CCCCC1 ZINC000339140901 176654024 /nfs/dbraw/zinc/65/40/24/176654024.db2.gz GPCYUNRHVKPUNS-CYBMUJFWSA-N 0 3 249.402 3.068 20 0 BGADHN C[C@@H](CN(C)Cc1ccnn1C)C1CCCCC1 ZINC000339140902 386261957 /nfs/dbraw/zinc/26/19/57/386261957.db2.gz GPCYUNRHVKPUNS-ZDUSSCGKSA-N 0 3 249.402 3.068 20 0 BGADHN CCc1ccc(CN2CCCC3(CCC3)C2)nc1 ZINC000339143023 386262342 /nfs/dbraw/zinc/26/23/42/386262342.db2.gz XFALWRCYTTYNKX-UHFFFAOYSA-N 0 3 244.382 3.410 20 0 BGADHN CCc1ccc(CN2CCC(C)=C(C)C2)nc1 ZINC000339148551 386272670 /nfs/dbraw/zinc/27/26/70/386272670.db2.gz OOMDQTNXNOFYPV-UHFFFAOYSA-N 0 3 230.355 3.186 20 0 BGADHN COC1(CCN2Cc3ccc(C)cc3C2)CCC1 ZINC000339148982 386272108 /nfs/dbraw/zinc/27/21/08/386272108.db2.gz PJJPVXZJIRQFQF-UHFFFAOYSA-N 0 3 245.366 3.270 20 0 BGADHN COCc1ccc(CN2CCC(C)=C(C)C2)cc1 ZINC000339150323 386273258 /nfs/dbraw/zinc/27/32/58/386273258.db2.gz VIYBUQGLBJNRIQ-UHFFFAOYSA-N 0 3 245.366 3.375 20 0 BGADHN CCn1ccnc1[C@@H]1CCCCN1CCC1CC1 ZINC000339150681 172229577 /nfs/dbraw/zinc/22/95/77/172229577.db2.gz GFHZROUCEQMMSC-AWEZNQCLSA-N 0 3 247.386 3.230 20 0 BGADHN CCn1ccnc1[C@H]1CCCCN1CCC1CC1 ZINC000339150684 172230826 /nfs/dbraw/zinc/23/08/26/172230826.db2.gz GFHZROUCEQMMSC-CQSZACIVSA-N 0 3 247.386 3.230 20 0 BGADHN CCCCN1CCCC[C@@H]1c1nccn1CC ZINC000339151237 386272383 /nfs/dbraw/zinc/27/23/83/386272383.db2.gz BDGUCHHZSDQFSJ-CYBMUJFWSA-N 0 3 235.375 3.230 20 0 BGADHN CCCCN1CCCC[C@H]1c1nccn1CC ZINC000339151238 386272090 /nfs/dbraw/zinc/27/20/90/386272090.db2.gz BDGUCHHZSDQFSJ-ZDUSSCGKSA-N 0 3 235.375 3.230 20 0 BGADHN CCn1ccnc1[C@@H]1CCCCN1CC1CCC1 ZINC000339151682 172229748 /nfs/dbraw/zinc/22/97/48/172229748.db2.gz KWXLDEHSCBCZLL-AWEZNQCLSA-N 0 3 247.386 3.230 20 0 BGADHN CCn1ccnc1[C@H]1CCCCN1CC1CCC1 ZINC000339151683 172230780 /nfs/dbraw/zinc/23/07/80/172230780.db2.gz KWXLDEHSCBCZLL-CQSZACIVSA-N 0 3 247.386 3.230 20 0 BGADHN CCc1ccc(CN2CC(C)=C[C@@H](C)C2)nc1 ZINC000339153698 386274541 /nfs/dbraw/zinc/27/45/41/386274541.db2.gz JHYGYGVFFFFULS-GFCCVEGCSA-N 0 3 230.355 3.042 20 0 BGADHN CCc1ccc(CN2CC(C)=C[C@H](C)C2)nc1 ZINC000339153699 386275641 /nfs/dbraw/zinc/27/56/41/386275641.db2.gz JHYGYGVFFFFULS-LBPRGKRZSA-N 0 3 230.355 3.042 20 0 BGADHN CC[C@H](C)CN1CCCC[C@H]1c1nccn1CC ZINC000339154134 171279174 /nfs/dbraw/zinc/27/91/74/171279174.db2.gz VAPBGERISKSJMD-KBPBESRZSA-N 0 3 249.402 3.476 20 0 BGADHN CC[C@@H](C)CN1CCCC[C@H]1c1nccn1CC ZINC000339154135 386275541 /nfs/dbraw/zinc/27/55/41/386275541.db2.gz VAPBGERISKSJMD-KGLIPLIRSA-N 0 3 249.402 3.476 20 0 BGADHN CC[C@H](C)CN1CCCC[C@@H]1c1nccn1CC ZINC000339154136 171279915 /nfs/dbraw/zinc/27/99/15/171279915.db2.gz VAPBGERISKSJMD-UONOGXRCSA-N 0 3 249.402 3.476 20 0 BGADHN CC[C@@H](C)CN1CCCC[C@@H]1c1nccn1CC ZINC000339154137 386274467 /nfs/dbraw/zinc/27/44/67/386274467.db2.gz VAPBGERISKSJMD-ZIAGYGMSSA-N 0 3 249.402 3.476 20 0 BGADHN CCn1ccnc1[C@@H]1CCCCN1CCC(C)C ZINC000339154390 172230023 /nfs/dbraw/zinc/23/00/23/172230023.db2.gz NZTZMZKBDMMCQK-AWEZNQCLSA-N 0 3 249.402 3.476 20 0 BGADHN CCn1ccnc1[C@H]1CCCCN1CCC(C)C ZINC000339154391 172230774 /nfs/dbraw/zinc/23/07/74/172230774.db2.gz NZTZMZKBDMMCQK-CQSZACIVSA-N 0 3 249.402 3.476 20 0 BGADHN CCc1nocc1CNC[C@@H](C)c1ccccc1 ZINC000339163240 172100534 /nfs/dbraw/zinc/10/05/34/172100534.db2.gz BERIGDCTHHSEME-GFCCVEGCSA-N 0 3 244.338 3.130 20 0 BGADHN CCc1nocc1CNC[C@H](C)c1ccccc1 ZINC000339163242 172099690 /nfs/dbraw/zinc/09/96/90/172099690.db2.gz BERIGDCTHHSEME-LBPRGKRZSA-N 0 3 244.338 3.130 20 0 BGADHN Cc1nocc1CN[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000339170319 388479306 /nfs/dbraw/zinc/47/93/06/388479306.db2.gz LLIIIOYKZVSLLV-GZBFAFLISA-N 0 3 248.370 3.432 20 0 BGADHN Cc1nocc1CN[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000339170320 388479313 /nfs/dbraw/zinc/47/93/13/388479313.db2.gz LLIIIOYKZVSLLV-KCQAQPDRSA-N 0 3 248.370 3.432 20 0 BGADHN Cc1nocc1CN[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000339170321 388479998 /nfs/dbraw/zinc/47/99/98/388479998.db2.gz LLIIIOYKZVSLLV-UMVBOHGHSA-N 0 3 248.370 3.432 20 0 BGADHN Cc1nocc1CN[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000339170322 388479779 /nfs/dbraw/zinc/47/97/79/388479779.db2.gz LLIIIOYKZVSLLV-VNHYZAJKSA-N 0 3 248.370 3.432 20 0 BGADHN Cc1cc(Cl)cc(CN2CCCC2)c1 ZINC000339170422 178063043 /nfs/dbraw/zinc/06/30/43/178063043.db2.gz DXMUWHZYIHBYBX-UHFFFAOYSA-N 0 3 209.720 3.244 20 0 BGADHN Cc1nocc1CN[C@H](C)CCCC(C)C ZINC000339172244 388479087 /nfs/dbraw/zinc/47/90/87/388479087.db2.gz PEIZTVMJAHVEDI-LLVKDONJSA-N 0 3 224.348 3.287 20 0 BGADHN Cc1nocc1CN[C@@H](C)CCCC(C)C ZINC000339172247 388479286 /nfs/dbraw/zinc/47/92/86/388479286.db2.gz PEIZTVMJAHVEDI-NSHDSACASA-N 0 3 224.348 3.287 20 0 BGADHN CCCC[C@@H](CC)CNCc1conc1C ZINC000339174460 365451371 /nfs/dbraw/zinc/45/13/71/365451371.db2.gz SSESDLZPPKQKBQ-GFCCVEGCSA-N 0 3 224.348 3.289 20 0 BGADHN CCCC[C@H](CC)CNCc1conc1C ZINC000339174461 365452633 /nfs/dbraw/zinc/45/26/33/365452633.db2.gz SSESDLZPPKQKBQ-LBPRGKRZSA-N 0 3 224.348 3.289 20 0 BGADHN CC(C)CNCc1conc1Cc1ccccc1 ZINC000339174468 167009972 /nfs/dbraw/zinc/00/99/72/167009972.db2.gz TUDCVSIWTQAWLQ-UHFFFAOYSA-N 0 3 244.338 3.011 20 0 BGADHN CCC(CC)NCc1cc(OC)ccc1F ZINC000339175550 168389523 /nfs/dbraw/zinc/38/95/23/168389523.db2.gz WHIOYVRQQPKNBK-UHFFFAOYSA-N 0 3 225.307 3.113 20 0 BGADHN CCc1nocc1CNCCC1=CCCCC1 ZINC000339177097 172100094 /nfs/dbraw/zinc/10/00/94/172100094.db2.gz MTFYEJXGJOJQLQ-UHFFFAOYSA-N 0 3 234.343 3.217 20 0 BGADHN CCc1nocc1CNCCCC1CCCC1 ZINC000339178402 172100511 /nfs/dbraw/zinc/10/05/11/172100511.db2.gz PHWAKURMAPTHHT-UHFFFAOYSA-N 0 3 236.359 3.297 20 0 BGADHN Cc1nocc1CNCCCC1CCCC1 ZINC000339178630 388479867 /nfs/dbraw/zinc/47/98/67/388479867.db2.gz VIKIXUDPSNUQFC-UHFFFAOYSA-N 0 3 222.332 3.043 20 0 BGADHN CCc1nocc1CNCCC1CCCCC1 ZINC000339178935 172099283 /nfs/dbraw/zinc/09/92/83/172099283.db2.gz BESJXGFKNRTRIK-UHFFFAOYSA-N 0 3 236.359 3.297 20 0 BGADHN COc1ccc(F)c(CNCC2CCCC2)c1 ZINC000339179434 175124825 /nfs/dbraw/zinc/12/48/25/175124825.db2.gz RFZBLONATCSXBX-UHFFFAOYSA-N 0 3 237.318 3.114 20 0 BGADHN Cc1nocc1CNCCC1CCCCC1 ZINC000339179444 388480290 /nfs/dbraw/zinc/48/02/90/388480290.db2.gz ROJYXLXMXKJBJM-UHFFFAOYSA-N 0 3 222.332 3.043 20 0 BGADHN Cc1nocc1CNC(C)(C)CC(C)(C)C ZINC000339180266 388479713 /nfs/dbraw/zinc/47/97/13/388479713.db2.gz FPISSFFCDIUEOS-UHFFFAOYSA-N 0 3 224.348 3.287 20 0 BGADHN Cc1nocc1CNCC(C)(C)c1ccccc1 ZINC000339180704 386278165 /nfs/dbraw/zinc/27/81/65/386278165.db2.gz FIDHYARKDDDYPX-UHFFFAOYSA-N 0 3 244.338 3.050 20 0 BGADHN Cc1nocc1CNCCCC1CCCCC1 ZINC000339182201 388479741 /nfs/dbraw/zinc/47/97/41/388479741.db2.gz RTYOJGUDWXSGJR-UHFFFAOYSA-N 0 3 236.359 3.433 20 0 BGADHN CCC1CCC(NCc2conc2C)CC1 ZINC000339183217 388480073 /nfs/dbraw/zinc/48/00/73/388480073.db2.gz CTZWTDIPENHAEG-UHFFFAOYSA-N 0 3 222.332 3.041 20 0 BGADHN CCc1nocc1CNC1CCC(CC)CC1 ZINC000339183220 172098577 /nfs/dbraw/zinc/09/85/77/172098577.db2.gz CUFHWEPNDVOOND-UHFFFAOYSA-N 0 3 236.359 3.295 20 0 BGADHN CCOCCNCc1ccc(C2CCC2)cc1 ZINC000339189634 170412257 /nfs/dbraw/zinc/41/22/57/170412257.db2.gz LUABTBLXQQWVSF-UHFFFAOYSA-N 0 3 233.355 3.080 20 0 BGADHN CCCC1CCC(NCc2conc2C)CC1 ZINC000339198351 388481541 /nfs/dbraw/zinc/48/15/41/388481541.db2.gz HYQHQVIHBLJHJA-UHFFFAOYSA-N 0 3 236.359 3.432 20 0 BGADHN CCc1ccc(CN2CCC[C@H](C3CC3)C2)nc1 ZINC000339201598 386291717 /nfs/dbraw/zinc/29/17/17/386291717.db2.gz QEEMZDDOWYAACH-HNNXBMFYSA-N 0 3 244.382 3.266 20 0 BGADHN CCc1ccc(CN2CCC[C@@H](C3CC3)C2)nc1 ZINC000339201599 386292911 /nfs/dbraw/zinc/29/29/11/386292911.db2.gz QEEMZDDOWYAACH-OAHLLOKOSA-N 0 3 244.382 3.266 20 0 BGADHN CCc1nocc1CNC[C@@H]1CCCC[C@H]1C ZINC000339204799 172100330 /nfs/dbraw/zinc/10/03/30/172100330.db2.gz PYHFVDTXDJMPCM-NEPJUHHUSA-N 0 3 236.359 3.153 20 0 BGADHN CCc1nocc1CNC[C@H]1CCCC[C@@H]1C ZINC000339204800 172099234 /nfs/dbraw/zinc/09/92/34/172099234.db2.gz PYHFVDTXDJMPCM-NWDGAFQWSA-N 0 3 236.359 3.153 20 0 BGADHN CCc1nocc1CNC[C@@H]1CCCC[C@@H]1C ZINC000339204802 172099631 /nfs/dbraw/zinc/09/96/31/172099631.db2.gz PYHFVDTXDJMPCM-RYUDHWBXSA-N 0 3 236.359 3.153 20 0 BGADHN CCc1nocc1CNC[C@H]1CCCC[C@H]1C ZINC000339204803 172099981 /nfs/dbraw/zinc/09/99/81/172099981.db2.gz PYHFVDTXDJMPCM-VXGBXAGGSA-N 0 3 236.359 3.153 20 0 BGADHN COc1ccc(F)c(CNC[C@@H]2CC=CCC2)c1 ZINC000339204963 175125300 /nfs/dbraw/zinc/12/53/00/175125300.db2.gz NTNLCWWWCBHNSK-GFCCVEGCSA-N 0 3 249.329 3.280 20 0 BGADHN COc1ccc(F)c(CNC[C@H]2CC=CCC2)c1 ZINC000339204965 175125598 /nfs/dbraw/zinc/12/55/98/175125598.db2.gz NTNLCWWWCBHNSK-LBPRGKRZSA-N 0 3 249.329 3.280 20 0 BGADHN CCc1nocc1CNCC1CCC(C)CC1 ZINC000339204992 172098731 /nfs/dbraw/zinc/09/87/31/172098731.db2.gz LSACJUMATISLTJ-UHFFFAOYSA-N 0 3 236.359 3.153 20 0 BGADHN CCc1nocc1CNC[C@H]1CCC[C@@H](C)C1 ZINC000339206775 172099451 /nfs/dbraw/zinc/09/94/51/172099451.db2.gz YPQOSPPGFPCKDH-NEPJUHHUSA-N 0 3 236.359 3.153 20 0 BGADHN CCc1nocc1CNC[C@@H]1CCC[C@H](C)C1 ZINC000339206776 172100488 /nfs/dbraw/zinc/10/04/88/172100488.db2.gz YPQOSPPGFPCKDH-NWDGAFQWSA-N 0 3 236.359 3.153 20 0 BGADHN CCc1nocc1CNC[C@H]1CCC[C@H](C)C1 ZINC000339206777 172100639 /nfs/dbraw/zinc/10/06/39/172100639.db2.gz YPQOSPPGFPCKDH-RYUDHWBXSA-N 0 3 236.359 3.153 20 0 BGADHN CCc1nocc1CNC[C@@H]1CCC[C@@H](C)C1 ZINC000339206778 172100449 /nfs/dbraw/zinc/10/04/49/172100449.db2.gz YPQOSPPGFPCKDH-VXGBXAGGSA-N 0 3 236.359 3.153 20 0 BGADHN Cc1ccoc1CN(C)[C@@H]1CC[C@H](C)C1 ZINC000339209370 386301814 /nfs/dbraw/zinc/30/18/14/386301814.db2.gz NWRUKIQSEPNEHG-CMPLNLGQSA-N 0 3 207.317 3.208 20 0 BGADHN Cc1ccoc1CN(C)[C@H]1CC[C@H](C)C1 ZINC000339209371 386302145 /nfs/dbraw/zinc/30/21/45/386302145.db2.gz NWRUKIQSEPNEHG-JQWIXIFHSA-N 0 3 207.317 3.208 20 0 BGADHN Cc1ccoc1CN(C)[C@H]1CC[C@@H](C)C1 ZINC000339209372 386300702 /nfs/dbraw/zinc/30/07/02/386300702.db2.gz NWRUKIQSEPNEHG-PWSUYJOCSA-N 0 3 207.317 3.208 20 0 BGADHN Cc1ccoc1CN(C)[C@@H]1CC[C@@H](C)C1 ZINC000339209373 386300920 /nfs/dbraw/zinc/30/09/20/386300920.db2.gz NWRUKIQSEPNEHG-ZYHUDNBSSA-N 0 3 207.317 3.208 20 0 BGADHN CC1=CCN(c2ccnc3ccccc32)CC1 ZINC000339215396 386303853 /nfs/dbraw/zinc/30/38/53/386303853.db2.gz UEINQCKTTVOYFX-UHFFFAOYSA-N 0 3 224.307 3.391 20 0 BGADHN COCC(C)(C)NCc1cc(C)cc(Cl)c1 ZINC000339224727 174083009 /nfs/dbraw/zinc/08/30/09/174083009.db2.gz UEBAQAAGCOQZAF-UHFFFAOYSA-N 0 3 241.762 3.163 20 0 BGADHN CCCC[C@H]1CCC[C@H]1NCc1conc1C ZINC000339226557 169014287 /nfs/dbraw/zinc/01/42/87/169014287.db2.gz UDPPTKFZGYHLMO-GXTWGEPZSA-N 0 3 236.359 3.432 20 0 BGADHN CCCC[C@H]1CCC[C@@H]1NCc1conc1C ZINC000339226558 169013999 /nfs/dbraw/zinc/01/39/99/169013999.db2.gz UDPPTKFZGYHLMO-JSGCOSHPSA-N 0 3 236.359 3.432 20 0 BGADHN CCCC[C@@H]1CCC[C@@H]1NCc1conc1C ZINC000339226559 350742097 /nfs/dbraw/zinc/74/20/97/350742097.db2.gz UDPPTKFZGYHLMO-OCCSQVGLSA-N 0 3 236.359 3.432 20 0 BGADHN CCCC[C@@H]1CCC[C@H]1NCc1conc1C ZINC000339226561 350741896 /nfs/dbraw/zinc/74/18/96/350741896.db2.gz UDPPTKFZGYHLMO-TZMCWYRMSA-N 0 3 236.359 3.432 20 0 BGADHN COc1ccc(F)c(CNC2(C)CCCC2)c1 ZINC000339226849 175124366 /nfs/dbraw/zinc/12/43/66/175124366.db2.gz NNBAJGIBZSJDQQ-UHFFFAOYSA-N 0 3 237.318 3.257 20 0 BGADHN COc1ccc(F)c(CN[C@H]2CCC[C@@H]2C)c1 ZINC000339231023 175125966 /nfs/dbraw/zinc/12/59/66/175125966.db2.gz FWEUPTBHKRUVTN-HZMBPMFUSA-N 0 3 237.318 3.113 20 0 BGADHN COc1ccc(F)c(CN[C@@H]2CCC[C@@H]2C)c1 ZINC000339231028 175125807 /nfs/dbraw/zinc/12/58/07/175125807.db2.gz FWEUPTBHKRUVTN-IINYFYTJSA-N 0 3 237.318 3.113 20 0 BGADHN COc1ccc(F)c(CN[C@@H]2CCC[C@H]2C)c1 ZINC000339231031 175125429 /nfs/dbraw/zinc/12/54/29/175125429.db2.gz FWEUPTBHKRUVTN-QMTHXVAHSA-N 0 3 237.318 3.113 20 0 BGADHN COc1ccc(F)c(CN[C@H]2CCC[C@H]2C)c1 ZINC000339231034 175125176 /nfs/dbraw/zinc/12/51/76/175125176.db2.gz FWEUPTBHKRUVTN-YGRLFVJLSA-N 0 3 237.318 3.113 20 0 BGADHN CCC1CCC(CNCc2conc2C)CC1 ZINC000339233078 386311180 /nfs/dbraw/zinc/31/11/80/386311180.db2.gz AFKOCZLHZVCKMX-UHFFFAOYSA-N 0 3 236.359 3.289 20 0 BGADHN Cc1nocc1CNCCCCC(C)(C)C ZINC000339234438 384977217 /nfs/dbraw/zinc/97/72/17/384977217.db2.gz ORLZFHUNGHMKBD-UHFFFAOYSA-N 0 3 224.348 3.289 20 0 BGADHN CCOC[C@@H](C)NCc1ccc(C2CCC2)cc1 ZINC000339238867 386314982 /nfs/dbraw/zinc/31/49/82/386314982.db2.gz KXERASGFDNYCHS-CYBMUJFWSA-N 0 3 247.382 3.469 20 0 BGADHN CCOC[C@H](C)NCc1ccc(C2CCC2)cc1 ZINC000339238871 386315465 /nfs/dbraw/zinc/31/54/65/386315465.db2.gz KXERASGFDNYCHS-ZDUSSCGKSA-N 0 3 247.382 3.469 20 0 BGADHN COc1ccc(F)c(CN[C@@H](C)CC2CC2)c1 ZINC000339250408 175125319 /nfs/dbraw/zinc/12/53/19/175125319.db2.gz HMKYEJWJTIIVGL-JTQLQIEISA-N 0 3 237.318 3.113 20 0 BGADHN COc1ccc(F)c(CN[C@H](C)CC2CC2)c1 ZINC000339250410 175125995 /nfs/dbraw/zinc/12/59/95/175125995.db2.gz HMKYEJWJTIIVGL-SNVBAGLBSA-N 0 3 237.318 3.113 20 0 BGADHN CC1(C)CCN(Cc2ccccc2F)CC1 ZINC000339252553 350743513 /nfs/dbraw/zinc/74/35/13/350743513.db2.gz GGRKCRBHPQYJGD-UHFFFAOYSA-N 0 3 221.319 3.448 20 0 BGADHN Cc1nocc1CNCC[C@@H]1CCCC[C@@H]1C ZINC000339256320 386327784 /nfs/dbraw/zinc/32/77/84/386327784.db2.gz FFGPTUAVVDRSRD-AAEUAGOBSA-N 0 3 236.359 3.289 20 0 BGADHN Cc1nocc1CNCC[C@H]1CCCC[C@H]1C ZINC000339256321 386329325 /nfs/dbraw/zinc/32/93/25/386329325.db2.gz FFGPTUAVVDRSRD-DGCLKSJQSA-N 0 3 236.359 3.289 20 0 BGADHN Cc1nocc1CNCC[C@H]1CCCC[C@@H]1C ZINC000339256322 386327695 /nfs/dbraw/zinc/32/76/95/386327695.db2.gz FFGPTUAVVDRSRD-WCQYABFASA-N 0 3 236.359 3.289 20 0 BGADHN Cc1nocc1CNCC[C@@H]1CCCC[C@H]1C ZINC000339256323 386329238 /nfs/dbraw/zinc/32/92/38/386329238.db2.gz FFGPTUAVVDRSRD-YPMHNXCESA-N 0 3 236.359 3.289 20 0 BGADHN CC1(C)CCN(Cc2cccc(F)c2)CC1 ZINC000339258599 350744329 /nfs/dbraw/zinc/74/43/29/350744329.db2.gz JCTCMTCIONJKEJ-UHFFFAOYSA-N 0 3 221.319 3.448 20 0 BGADHN C[C@H](c1cccnc1)N1CCC(C)(C)CC1 ZINC000339259220 177044687 /nfs/dbraw/zinc/04/46/87/177044687.db2.gz ZFDYUSWPOGVEDO-GFCCVEGCSA-N 0 3 218.344 3.265 20 0 BGADHN C[C@@H](c1cccnc1)N1CCC(C)(C)CC1 ZINC000339259221 176029576 /nfs/dbraw/zinc/02/95/76/176029576.db2.gz ZFDYUSWPOGVEDO-LBPRGKRZSA-N 0 3 218.344 3.265 20 0 BGADHN CN(Cc1nc2ccccc2o1)CC(C)(C)C ZINC000339259700 386331005 /nfs/dbraw/zinc/33/10/05/386331005.db2.gz PHCANZMKIACRGA-UHFFFAOYSA-N 0 3 232.327 3.306 20 0 BGADHN Cc1cccc2nc(CN(C)CC(C)(C)C)cn21 ZINC000339259749 179229601 /nfs/dbraw/zinc/22/96/01/179229601.db2.gz QVOLSSHVWIBAFJ-UHFFFAOYSA-N 0 3 245.370 3.121 20 0 BGADHN Cc1nocc1CNCC[C@@H]1CCC[C@H](C)C1 ZINC000339266128 386329092 /nfs/dbraw/zinc/32/90/92/386329092.db2.gz VLWXQZXGYIXAMY-AAEUAGOBSA-N 0 3 236.359 3.289 20 0 BGADHN Cc1nocc1CNCC[C@H]1CCC[C@@H](C)C1 ZINC000339266130 386329375 /nfs/dbraw/zinc/32/93/75/386329375.db2.gz VLWXQZXGYIXAMY-DGCLKSJQSA-N 0 3 236.359 3.289 20 0 BGADHN Cc1nocc1CNCC[C@H]1CCC[C@H](C)C1 ZINC000339266133 386328643 /nfs/dbraw/zinc/32/86/43/386328643.db2.gz VLWXQZXGYIXAMY-WCQYABFASA-N 0 3 236.359 3.289 20 0 BGADHN Cc1nocc1CNCC[C@@H]1CCC[C@@H](C)C1 ZINC000339266136 386327981 /nfs/dbraw/zinc/32/79/81/386327981.db2.gz VLWXQZXGYIXAMY-YPMHNXCESA-N 0 3 236.359 3.289 20 0 BGADHN Cc1nocc1CN[C@@H](C)CCC(C)(C)C ZINC000339267718 388480788 /nfs/dbraw/zinc/48/07/88/388480788.db2.gz FMNOHGRQDQKALN-JTQLQIEISA-N 0 3 224.348 3.287 20 0 BGADHN Cc1nocc1CN[C@H](C)CCC(C)(C)C ZINC000339267719 388481371 /nfs/dbraw/zinc/48/13/71/388481371.db2.gz FMNOHGRQDQKALN-SNVBAGLBSA-N 0 3 224.348 3.287 20 0 BGADHN CC[C@H](COC)NCc1cc(C)cc(Cl)c1 ZINC000339271427 384982893 /nfs/dbraw/zinc/98/28/93/384982893.db2.gz FROOKABJYKQGTK-CYBMUJFWSA-N 0 3 241.762 3.163 20 0 BGADHN CC[C@@H](COC)NCc1cc(C)cc(Cl)c1 ZINC000339271430 384984098 /nfs/dbraw/zinc/98/40/98/384984098.db2.gz FROOKABJYKQGTK-ZDUSSCGKSA-N 0 3 241.762 3.163 20 0 BGADHN CCCC[C@H](COC)NCc1ccsc1C ZINC000339275316 169004336 /nfs/dbraw/zinc/00/43/36/169004336.db2.gz XDEJPQXUGUVKOR-CYBMUJFWSA-N 0 3 241.400 3.351 20 0 BGADHN CCCC[C@@H](COC)NCc1ccsc1C ZINC000339275319 343696344 /nfs/dbraw/zinc/69/63/44/343696344.db2.gz XDEJPQXUGUVKOR-ZDUSSCGKSA-N 0 3 241.400 3.351 20 0 BGADHN CC[C@H]1CCC[C@H](NCc2conc2C)C1 ZINC000339277012 384980470 /nfs/dbraw/zinc/98/04/70/384980470.db2.gz WKCZTDANMGGGGC-AAEUAGOBSA-N 0 3 222.332 3.041 20 0 BGADHN CC[C@@H]1CCC[C@@H](NCc2conc2C)C1 ZINC000339277015 343696145 /nfs/dbraw/zinc/69/61/45/343696145.db2.gz WKCZTDANMGGGGC-DGCLKSJQSA-N 0 3 222.332 3.041 20 0 BGADHN CC[C@H]1CCC[C@@H](NCc2conc2C)C1 ZINC000339277018 384978264 /nfs/dbraw/zinc/97/82/64/384978264.db2.gz WKCZTDANMGGGGC-WCQYABFASA-N 0 3 222.332 3.041 20 0 BGADHN CC[C@@H]1CCC[C@H](NCc2conc2C)C1 ZINC000339277020 170997014 /nfs/dbraw/zinc/99/70/14/170997014.db2.gz WKCZTDANMGGGGC-YPMHNXCESA-N 0 3 222.332 3.041 20 0 BGADHN Cc1nocc1CN[C@@H](C)C1CCCCC1 ZINC000339277160 384978482 /nfs/dbraw/zinc/97/84/82/384978482.db2.gz SBFURPYBNKUQBA-JTQLQIEISA-N 0 3 222.332 3.041 20 0 BGADHN Cc1nocc1CN[C@H](C)C1CCCCC1 ZINC000339277161 384979433 /nfs/dbraw/zinc/97/94/33/384979433.db2.gz SBFURPYBNKUQBA-SNVBAGLBSA-N 0 3 222.332 3.041 20 0 BGADHN CCc1nocc1CNC1CCC(C)(C)CC1 ZINC000339277589 172097141 /nfs/dbraw/zinc/09/71/41/172097141.db2.gz UMVQNXUGQBTGBU-UHFFFAOYSA-N 0 3 236.359 3.295 20 0 BGADHN Cc1nocc1CNC[C@@H](C)c1cccc(C)c1 ZINC000339277595 179193158 /nfs/dbraw/zinc/19/31/58/179193158.db2.gz UPFIJHOLLAJWQA-GFCCVEGCSA-N 0 3 244.338 3.185 20 0 BGADHN Cc1nocc1CNC[C@H](C)c1cccc(C)c1 ZINC000339277598 179179622 /nfs/dbraw/zinc/17/96/22/179179622.db2.gz UPFIJHOLLAJWQA-LBPRGKRZSA-N 0 3 244.338 3.185 20 0 BGADHN Cc1nocc1CN[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000339280045 386333200 /nfs/dbraw/zinc/33/32/00/386333200.db2.gz DLVBGQKKYPPIEE-MBNYWOFBSA-N 0 3 234.343 3.041 20 0 BGADHN Cc1nocc1CN[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000339280046 386334004 /nfs/dbraw/zinc/33/40/04/386334004.db2.gz DLVBGQKKYPPIEE-OUCADQQQSA-N 0 3 234.343 3.041 20 0 BGADHN Cc1nocc1CN[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000339280047 386333819 /nfs/dbraw/zinc/33/38/19/386333819.db2.gz DLVBGQKKYPPIEE-SGMGOOAPSA-N 0 3 234.343 3.041 20 0 BGADHN Cc1nocc1CN[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000339280048 386334299 /nfs/dbraw/zinc/33/42/99/386334299.db2.gz DLVBGQKKYPPIEE-YRGRVCCFSA-N 0 3 234.343 3.041 20 0 BGADHN Cc1ncc(CN[C@H](C)CCCC(C)C)cn1 ZINC000339280095 180156264 /nfs/dbraw/zinc/15/62/64/180156264.db2.gz DWZQOXHBAKEVIO-GFCCVEGCSA-N 0 3 235.375 3.089 20 0 BGADHN Cc1ncc(CN[C@@H](C)CCCC(C)C)cn1 ZINC000339280097 180154515 /nfs/dbraw/zinc/15/45/15/180154515.db2.gz DWZQOXHBAKEVIO-LBPRGKRZSA-N 0 3 235.375 3.089 20 0 BGADHN COC[C@@H]1CCN1Cc1ccc(CC(C)C)cc1 ZINC000339280812 386348450 /nfs/dbraw/zinc/34/84/50/386348450.db2.gz FLKMAEIGVWAODL-INIZCTEOSA-N 0 3 247.382 3.106 20 0 BGADHN COC[C@H]1CCN1Cc1ccc(CC(C)C)cc1 ZINC000339280813 386350693 /nfs/dbraw/zinc/35/06/93/386350693.db2.gz FLKMAEIGVWAODL-MRXNPFEDSA-N 0 3 247.382 3.106 20 0 BGADHN Cc1nocc1CN[C@H]1C[C@H]1C1CCCCC1 ZINC000339283859 386353254 /nfs/dbraw/zinc/35/32/54/386353254.db2.gz QLBOKESWQWJWMM-KBPBESRZSA-N 0 3 234.343 3.041 20 0 BGADHN Cc1nocc1CN[C@H]1C[C@@H]1C1CCCCC1 ZINC000339283863 386352773 /nfs/dbraw/zinc/35/27/73/386352773.db2.gz QLBOKESWQWJWMM-KGLIPLIRSA-N 0 3 234.343 3.041 20 0 BGADHN Cc1nocc1CN[C@@H]1C[C@H]1C1CCCCC1 ZINC000339283865 386353876 /nfs/dbraw/zinc/35/38/76/386353876.db2.gz QLBOKESWQWJWMM-UONOGXRCSA-N 0 3 234.343 3.041 20 0 BGADHN Cc1nocc1CN[C@@H]1C[C@@H]1C1CCCCC1 ZINC000339283867 386352680 /nfs/dbraw/zinc/35/26/80/386352680.db2.gz QLBOKESWQWJWMM-ZIAGYGMSSA-N 0 3 234.343 3.041 20 0 BGADHN CCc1nocc1CN[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000339284381 172101106 /nfs/dbraw/zinc/10/11/06/172101106.db2.gz PSKJCLWRXMCWAO-MBNYWOFBSA-N 0 3 248.370 3.295 20 0 BGADHN CCc1nocc1CN[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000339284382 172102222 /nfs/dbraw/zinc/10/22/22/172102222.db2.gz PSKJCLWRXMCWAO-OUCADQQQSA-N 0 3 248.370 3.295 20 0 BGADHN CCc1nocc1CN[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000339285141 172102142 /nfs/dbraw/zinc/10/21/42/172102142.db2.gz PSKJCLWRXMCWAO-SGMGOOAPSA-N 0 3 248.370 3.295 20 0 BGADHN CCc1nocc1CN[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000339285142 172101682 /nfs/dbraw/zinc/10/16/82/172101682.db2.gz PSKJCLWRXMCWAO-YRGRVCCFSA-N 0 3 248.370 3.295 20 0 BGADHN Cc1ncc(CNCCCC2CCCCC2)cn1 ZINC000339285244 386353566 /nfs/dbraw/zinc/35/35/66/386353566.db2.gz HDPPYNMVSRCBNB-UHFFFAOYSA-N 0 3 247.386 3.235 20 0 BGADHN COC(C)(C)CNCc1cc(C)cc(Cl)c1 ZINC000339286373 388480859 /nfs/dbraw/zinc/48/08/59/388480859.db2.gz YQEOGXSOWOWUGD-UHFFFAOYSA-N 0 3 241.762 3.163 20 0 BGADHN CCC1(NCc2cc(OC)ccc2F)CCC1 ZINC000339289392 386341355 /nfs/dbraw/zinc/34/13/55/386341355.db2.gz BCYRUASAJUPIID-UHFFFAOYSA-N 0 3 237.318 3.257 20 0 BGADHN COC[C@@H]1CCN1Cc1ccc(C(C)C)cc1 ZINC000339289436 386342210 /nfs/dbraw/zinc/34/22/10/386342210.db2.gz CRWKHUNVHNPGRA-HNNXBMFYSA-N 0 3 233.355 3.031 20 0 BGADHN COC[C@H]1CCN1Cc1ccc(C(C)C)cc1 ZINC000339289438 386343355 /nfs/dbraw/zinc/34/33/55/386343355.db2.gz CRWKHUNVHNPGRA-OAHLLOKOSA-N 0 3 233.355 3.031 20 0 BGADHN COC[C@@H]1CCN1Cc1ccc(C2CCC2)cc1 ZINC000339290210 386342788 /nfs/dbraw/zinc/34/27/88/386342788.db2.gz LCHMXFZVFSWAMI-INIZCTEOSA-N 0 3 245.366 3.175 20 0 BGADHN COC[C@H]1CCN1Cc1ccc(C2CCC2)cc1 ZINC000339290213 386341911 /nfs/dbraw/zinc/34/19/11/386341911.db2.gz LCHMXFZVFSWAMI-MRXNPFEDSA-N 0 3 245.366 3.175 20 0 BGADHN Cc1cc(Cl)cc(CNCc2ccn(C)c2)c1 ZINC000339290649 386347280 /nfs/dbraw/zinc/34/72/80/386347280.db2.gz MGGIAAUGFVPAJE-UHFFFAOYSA-N 0 3 248.757 3.277 20 0 BGADHN Cc1nocc1CNCCCCC1CCCC1 ZINC000339290759 386347309 /nfs/dbraw/zinc/34/73/09/386347309.db2.gz SHWBYUFJHCOHGU-UHFFFAOYSA-N 0 3 236.359 3.433 20 0 BGADHN Cc1nocc1CNCC(C)(C)CC(C)C ZINC000339291519 180506140 /nfs/dbraw/zinc/50/61/40/180506140.db2.gz DFYXZJWGSCUXJH-UHFFFAOYSA-N 0 3 224.348 3.145 20 0 BGADHN CCC1(CNCc2cc(OC)ccc2F)CC1 ZINC000339292370 386344798 /nfs/dbraw/zinc/34/47/98/386344798.db2.gz AMJMAVGPNATFRV-UHFFFAOYSA-N 0 3 237.318 3.114 20 0 BGADHN Cc1nocc1CN[C@H]1CCC(C)(C)C[C@@H]1C ZINC000339292806 384982868 /nfs/dbraw/zinc/98/28/68/384982868.db2.gz FLLVIYRHDAYGAC-GWCFXTLKSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1nocc1CN[C@@H]1CCC(C)(C)C[C@@H]1C ZINC000339292808 384983142 /nfs/dbraw/zinc/98/31/42/384983142.db2.gz FLLVIYRHDAYGAC-GXFFZTMASA-N 0 3 236.359 3.287 20 0 BGADHN Cc1nocc1CN[C@H]1CCC(C)(C)C[C@H]1C ZINC000339292811 384984458 /nfs/dbraw/zinc/98/44/58/384984458.db2.gz FLLVIYRHDAYGAC-MFKMUULPSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1nocc1CN[C@@H]1CCC(C)(C)C[C@H]1C ZINC000339292814 384982376 /nfs/dbraw/zinc/98/23/76/384982376.db2.gz FLLVIYRHDAYGAC-ZWNOBZJWSA-N 0 3 236.359 3.287 20 0 BGADHN CCN(CCc1cccs1)Cc1cccnc1 ZINC000339292830 386348776 /nfs/dbraw/zinc/34/87/76/386348776.db2.gz FPXJCQMMNAXMOK-UHFFFAOYSA-N 0 3 246.379 3.208 20 0 BGADHN CCCC[C@@H](CCC)NCc1conc1C ZINC000339293537 168961412 /nfs/dbraw/zinc/96/14/12/168961412.db2.gz LKWAJBZZYVYPGK-CYBMUJFWSA-N 0 3 224.348 3.432 20 0 BGADHN CCCC[C@H](CCC)NCc1conc1C ZINC000339293538 169002489 /nfs/dbraw/zinc/00/24/89/169002489.db2.gz LKWAJBZZYVYPGK-ZDUSSCGKSA-N 0 3 224.348 3.432 20 0 BGADHN COc1ccc(F)c(CNCC2(C)CCC2)c1 ZINC000339294273 175124994 /nfs/dbraw/zinc/12/49/94/175124994.db2.gz RXMGVJAESQCACZ-UHFFFAOYSA-N 0 3 237.318 3.114 20 0 BGADHN COC[C@H]1CCN1Cc1csc2ccccc12 ZINC000339294411 386355918 /nfs/dbraw/zinc/35/59/18/386355918.db2.gz UZAIXLPRDJZDHZ-GFCCVEGCSA-N 0 3 247.363 3.122 20 0 BGADHN COC[C@@H]1CCN1Cc1csc2ccccc12 ZINC000339294420 386355262 /nfs/dbraw/zinc/35/52/62/386355262.db2.gz UZAIXLPRDJZDHZ-LBPRGKRZSA-N 0 3 247.363 3.122 20 0 BGADHN CCC(CC)(CC)CNCc1conc1C ZINC000339296458 168316832 /nfs/dbraw/zinc/31/68/32/168316832.db2.gz NLGMMZTYRWDOGU-UHFFFAOYSA-N 0 3 224.348 3.289 20 0 BGADHN Cc1nocc1CNCC1(C)CCCCC1 ZINC000339296581 384982707 /nfs/dbraw/zinc/98/27/07/384982707.db2.gz BSVFRPPTYGBKHA-UHFFFAOYSA-N 0 3 222.332 3.043 20 0 BGADHN CCCC1(CNCc2conc2C)CCC1 ZINC000339296689 384984123 /nfs/dbraw/zinc/98/41/23/384984123.db2.gz CVMSJGPPIMRWIL-UHFFFAOYSA-N 0 3 222.332 3.043 20 0 BGADHN COc1ccc(F)c(CN[C@@H]2C=CCCC2)c1 ZINC000339296731 175125182 /nfs/dbraw/zinc/12/51/82/175125182.db2.gz CYUKXLAFEKAKCS-GFCCVEGCSA-N 0 3 235.302 3.033 20 0 BGADHN COc1ccc(F)c(CN[C@H]2C=CCCC2)c1 ZINC000339296737 175125450 /nfs/dbraw/zinc/12/54/50/175125450.db2.gz CYUKXLAFEKAKCS-LBPRGKRZSA-N 0 3 235.302 3.033 20 0 BGADHN CCc1nocc1CNCC1(CC(C)C)CC1 ZINC000339296783 172097303 /nfs/dbraw/zinc/09/73/03/172097303.db2.gz BRJSBVVABIVUQC-UHFFFAOYSA-N 0 3 236.359 3.153 20 0 BGADHN Cc1nocc1CNCC1(CC(C)C)CCC1 ZINC000339297998 386362019 /nfs/dbraw/zinc/36/20/19/386362019.db2.gz KZYXCXKUAGJGCE-UHFFFAOYSA-N 0 3 236.359 3.289 20 0 BGADHN Cc1nocc1CNC1CCC(C(C)C)CC1 ZINC000339298666 388481719 /nfs/dbraw/zinc/48/17/19/388481719.db2.gz REPRPJKXYMRENM-UHFFFAOYSA-N 0 3 236.359 3.287 20 0 BGADHN CCc1nocc1CNCC1(C)CCCCC1 ZINC000339300012 172097608 /nfs/dbraw/zinc/09/76/08/172097608.db2.gz YYVUHVWVSYWWJQ-UHFFFAOYSA-N 0 3 236.359 3.297 20 0 BGADHN CCCC1(CNCc2conc2CC)CCC1 ZINC000339300025 386362730 /nfs/dbraw/zinc/36/27/30/386362730.db2.gz ZGSZDXDVGGSGCJ-UHFFFAOYSA-N 0 3 236.359 3.297 20 0 BGADHN CCC1(CNCc2conc2C)CCCC1 ZINC000339300851 388480828 /nfs/dbraw/zinc/48/08/28/388480828.db2.gz UJDAZXXMMITVQG-UHFFFAOYSA-N 0 3 222.332 3.043 20 0 BGADHN CCc1nocc1CNCC1(CC)CCCC1 ZINC000339301250 172098912 /nfs/dbraw/zinc/09/89/12/172098912.db2.gz VSMDGOHOEIRLFY-UHFFFAOYSA-N 0 3 236.359 3.297 20 0 BGADHN Cc1nocc1CNCC(C)(C)C1CCCC1 ZINC000339319316 386367107 /nfs/dbraw/zinc/36/71/07/386367107.db2.gz HJLIDJUWKDQPRV-UHFFFAOYSA-N 0 3 236.359 3.289 20 0 BGADHN COc1ccc(F)c(CNCC2(C3CC3)CC2)c1 ZINC000339320026 175124853 /nfs/dbraw/zinc/12/48/53/175124853.db2.gz UEXOPURAWAABRN-UHFFFAOYSA-N 0 3 249.329 3.114 20 0 BGADHN COc1ccc(F)c(CNCCC2=CCCC2)c1 ZINC000339321695 175124861 /nfs/dbraw/zinc/12/48/61/175124861.db2.gz WQKPSKLDMVHLNB-UHFFFAOYSA-N 0 3 249.329 3.424 20 0 BGADHN C[C@]1(NCc2ccc(C3CCC3)cc2)CCOC1 ZINC000339327165 490257698 /nfs/dbraw/zinc/25/76/98/490257698.db2.gz ZNWAZLVRSJCHTB-INIZCTEOSA-N 0 3 245.366 3.223 20 0 BGADHN C[C@@]1(NCc2ccc(C3CCC3)cc2)CCOC1 ZINC000339327166 490257656 /nfs/dbraw/zinc/25/76/56/490257656.db2.gz ZNWAZLVRSJCHTB-MRXNPFEDSA-N 0 3 245.366 3.223 20 0 BGADHN Cc1nocc1CNCC1CCC(C)(C)CC1 ZINC000339336566 388482192 /nfs/dbraw/zinc/48/21/92/388482192.db2.gz TULZBMLALXRMAH-UHFFFAOYSA-N 0 3 236.359 3.289 20 0 BGADHN Cc1nocc1CNCC1(C)CCCCCC1 ZINC000339341298 384986333 /nfs/dbraw/zinc/98/63/33/384986333.db2.gz VQYCKJNQANSZQH-UHFFFAOYSA-N 0 3 236.359 3.433 20 0 BGADHN CC(C)OCCNCc1ccc(C2CCC2)cc1 ZINC000339346300 167241819 /nfs/dbraw/zinc/24/18/19/167241819.db2.gz ANNXNPHREBHVPZ-UHFFFAOYSA-N 0 3 247.382 3.469 20 0 BGADHN CCC1(CNCc2conc2C)CCCCC1 ZINC000339349235 386383343 /nfs/dbraw/zinc/38/33/43/386383343.db2.gz NWYTUHKUIDXRQC-UHFFFAOYSA-N 0 3 236.359 3.433 20 0 BGADHN CCc1nocc1CN[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000339349707 172101731 /nfs/dbraw/zinc/10/17/31/172101731.db2.gz RFPFCXCPJFZVFB-DMDPSCGWSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1nocc1CN[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000339349711 172101042 /nfs/dbraw/zinc/10/10/42/172101042.db2.gz RFPFCXCPJFZVFB-GMXVVIOVSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1nocc1CN[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000339349718 172101825 /nfs/dbraw/zinc/10/18/25/172101825.db2.gz RFPFCXCPJFZVFB-NQBHXWOUSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1nocc1CN[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000339349723 172101738 /nfs/dbraw/zinc/10/17/38/172101738.db2.gz RFPFCXCPJFZVFB-NTZNESFSSA-N 0 3 236.359 3.151 20 0 BGADHN Cc1cc(Cl)cc(CNCCOC(C)C)c1 ZINC000339350032 388482376 /nfs/dbraw/zinc/48/23/76/388482376.db2.gz WJWLSKAHDLYUTI-UHFFFAOYSA-N 0 3 241.762 3.163 20 0 BGADHN Cc1sccc1CNC[C@H]1CCC(C)(C)O1 ZINC000339357746 388482185 /nfs/dbraw/zinc/48/21/85/388482185.db2.gz LXUJFQZWALTIKH-GFCCVEGCSA-N 0 3 239.384 3.104 20 0 BGADHN Cc1sccc1CNC[C@@H]1CCC(C)(C)O1 ZINC000339357749 388483199 /nfs/dbraw/zinc/48/31/99/388483199.db2.gz LXUJFQZWALTIKH-LBPRGKRZSA-N 0 3 239.384 3.104 20 0 BGADHN Cc1sccc1CNC[C@@H](C)C(F)(F)F ZINC000339358565 388482699 /nfs/dbraw/zinc/48/26/99/388482699.db2.gz KUPKXZMTLVFMCG-SSDOTTSWSA-N 0 3 237.290 3.345 20 0 BGADHN Cc1sccc1CNC[C@H](C)C(F)(F)F ZINC000339358566 388483051 /nfs/dbraw/zinc/48/30/51/388483051.db2.gz KUPKXZMTLVFMCG-ZETCQYMHSA-N 0 3 237.290 3.345 20 0 BGADHN COc1ccc(F)c(CN[C@@H]2CC[C@H](C)C2)c1 ZINC000339358943 175126065 /nfs/dbraw/zinc/12/60/65/175126065.db2.gz AWFOIEKLHAKQFX-CMPLNLGQSA-N 0 3 237.318 3.113 20 0 BGADHN COc1ccc(F)c(CN[C@H]2CC[C@H](C)C2)c1 ZINC000339358946 175125841 /nfs/dbraw/zinc/12/58/41/175125841.db2.gz AWFOIEKLHAKQFX-JQWIXIFHSA-N 0 3 237.318 3.113 20 0 BGADHN COc1ccc(F)c(CN[C@H]2CC[C@@H](C)C2)c1 ZINC000339358949 175126038 /nfs/dbraw/zinc/12/60/38/175126038.db2.gz AWFOIEKLHAKQFX-PWSUYJOCSA-N 0 3 237.318 3.113 20 0 BGADHN COc1ccc(F)c(CN[C@@H]2CC[C@@H](C)C2)c1 ZINC000339358951 175125390 /nfs/dbraw/zinc/12/53/90/175125390.db2.gz AWFOIEKLHAKQFX-ZYHUDNBSSA-N 0 3 237.318 3.113 20 0 BGADHN CCOC[C@@H](C)NCc1cc(C)cc(Cl)c1 ZINC000339360220 170432263 /nfs/dbraw/zinc/43/22/63/170432263.db2.gz UQAIYOBWDCMRBI-LLVKDONJSA-N 0 3 241.762 3.163 20 0 BGADHN CCOC[C@H](C)NCc1cc(C)cc(Cl)c1 ZINC000339360221 388482737 /nfs/dbraw/zinc/48/27/37/388482737.db2.gz UQAIYOBWDCMRBI-NSHDSACASA-N 0 3 241.762 3.163 20 0 BGADHN CCOCC(C)(C)NCc1cc(F)ccc1C ZINC000339360450 170354455 /nfs/dbraw/zinc/35/44/55/170354455.db2.gz HWAINZMAWSZGAP-UHFFFAOYSA-N 0 3 239.334 3.039 20 0 BGADHN CO[C@H](C)CNCc1ccc(C2CCC2)cc1 ZINC000339366921 386396116 /nfs/dbraw/zinc/39/61/16/386396116.db2.gz SVXWPLWVUDRVEL-GFCCVEGCSA-N 0 3 233.355 3.079 20 0 BGADHN CO[C@@H](C)CNCc1ccc(C2CCC2)cc1 ZINC000339366925 386395657 /nfs/dbraw/zinc/39/56/57/386395657.db2.gz SVXWPLWVUDRVEL-LBPRGKRZSA-N 0 3 233.355 3.079 20 0 BGADHN CCc1nocc1CNCC(C)(C)C(C)C ZINC000339368876 172098815 /nfs/dbraw/zinc/09/88/15/172098815.db2.gz ZRBFXFJUSMAVRC-UHFFFAOYSA-N 0 3 224.348 3.009 20 0 BGADHN CO[C@H](C)[C@@H](C)NCc1cc(C)cc(Cl)c1 ZINC000339370232 384989594 /nfs/dbraw/zinc/98/95/94/384989594.db2.gz SYBQCUBQWXVTRL-GHMZBOCLSA-N 0 3 241.762 3.161 20 0 BGADHN CO[C@@H](C)[C@@H](C)NCc1cc(C)cc(Cl)c1 ZINC000339370233 384988899 /nfs/dbraw/zinc/98/88/99/384988899.db2.gz SYBQCUBQWXVTRL-MNOVXSKESA-N 0 3 241.762 3.161 20 0 BGADHN CO[C@@H](C)[C@H](C)NCc1cc(C)cc(Cl)c1 ZINC000339370234 384989531 /nfs/dbraw/zinc/98/95/31/384989531.db2.gz SYBQCUBQWXVTRL-QWRGUYRKSA-N 0 3 241.762 3.161 20 0 BGADHN CO[C@H](C)[C@H](C)NCc1cc(C)cc(Cl)c1 ZINC000339370235 384990284 /nfs/dbraw/zinc/99/02/84/384990284.db2.gz SYBQCUBQWXVTRL-WDEREUQCSA-N 0 3 241.762 3.161 20 0 BGADHN COc1ccc(F)c(CN[C@H]2CC23CCCC3)c1 ZINC000339373685 175125579 /nfs/dbraw/zinc/12/55/79/175125579.db2.gz YQYJRBASESRPSI-AWEZNQCLSA-N 0 3 249.329 3.257 20 0 BGADHN COc1ccc(F)c(CN[C@@H]2CC23CCCC3)c1 ZINC000339373686 175125221 /nfs/dbraw/zinc/12/52/21/175125221.db2.gz YQYJRBASESRPSI-CQSZACIVSA-N 0 3 249.329 3.257 20 0 BGADHN CCc1nocc1CNC1CCC2(CC2)CC1 ZINC000339374941 172098459 /nfs/dbraw/zinc/09/84/59/172098459.db2.gz NQTJBDAIABIIJJ-UHFFFAOYSA-N 0 3 234.343 3.049 20 0 BGADHN COc1ccc(F)c(CNCCC2(C)CC2)c1 ZINC000339375267 175124303 /nfs/dbraw/zinc/12/43/03/175124303.db2.gz AVQSYVKVFCBLLR-UHFFFAOYSA-N 0 3 237.318 3.114 20 0 BGADHN Cc1nocc1CN[C@H](C)CC1CCCCC1 ZINC000339377548 386394072 /nfs/dbraw/zinc/39/40/72/386394072.db2.gz JGGNXPLPEZQMIV-LLVKDONJSA-N 0 3 236.359 3.432 20 0 BGADHN Cc1nocc1CN[C@@H](C)CC1CCCCC1 ZINC000339377550 386393261 /nfs/dbraw/zinc/39/32/61/386393261.db2.gz JGGNXPLPEZQMIV-NSHDSACASA-N 0 3 236.359 3.432 20 0 BGADHN Cc1nocc1CNCC1(C)CCC(C)CC1 ZINC000339382513 386398475 /nfs/dbraw/zinc/39/84/75/386398475.db2.gz ZKMASCAVXDXOLY-UHFFFAOYSA-N 0 3 236.359 3.289 20 0 BGADHN CCc1nocc1CNCC1C(C)(C)C1(C)C ZINC000339383780 172098531 /nfs/dbraw/zinc/09/85/31/172098531.db2.gz BLPNQJVZXXXPIU-UHFFFAOYSA-N 0 3 236.359 3.009 20 0 BGADHN Cc1nocc1CNC[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000339384928 386398778 /nfs/dbraw/zinc/39/87/78/386398778.db2.gz MMYZTVNTILQVQN-GVXVVHGQSA-N 0 3 236.359 3.145 20 0 BGADHN Cc1nocc1CNC[C@@H]1CCC[C@H](C)[C@H]1C ZINC000339384931 386398640 /nfs/dbraw/zinc/39/86/40/386398640.db2.gz MMYZTVNTILQVQN-LOWVWBTDSA-N 0 3 236.359 3.145 20 0 BGADHN Cc1nocc1CNC[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000339384933 386398693 /nfs/dbraw/zinc/39/86/93/386398693.db2.gz MMYZTVNTILQVQN-MDZLAQPJSA-N 0 3 236.359 3.145 20 0 BGADHN Cc1nocc1CNC[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000339384936 386397666 /nfs/dbraw/zinc/39/76/66/386397666.db2.gz MMYZTVNTILQVQN-WZRBSPASSA-N 0 3 236.359 3.145 20 0 BGADHN Cc1sccc1CNCC1(C(F)(F)F)CC1 ZINC000339393688 384997281 /nfs/dbraw/zinc/99/72/81/384997281.db2.gz NEHBSKKIYABQMS-UHFFFAOYSA-N 0 3 249.301 3.489 20 0 BGADHN COc1ccc(F)c(CN[C@@H]2CCC2(C)C)c1 ZINC000339401576 175125769 /nfs/dbraw/zinc/12/57/69/175125769.db2.gz WSCMPWBKLXGJBB-CYBMUJFWSA-N 0 3 237.318 3.113 20 0 BGADHN COc1ccc(F)c(CN[C@H]2CCC2(C)C)c1 ZINC000339401577 175125930 /nfs/dbraw/zinc/12/59/30/175125930.db2.gz WSCMPWBKLXGJBB-ZDUSSCGKSA-N 0 3 237.318 3.113 20 0 BGADHN C[C@H](CF)NCc1ccc(C2CCC2)cc1 ZINC000339404998 388482558 /nfs/dbraw/zinc/48/25/58/388482558.db2.gz VXXGHCWEIYWAKH-LLVKDONJSA-N 0 3 221.319 3.402 20 0 BGADHN C[C@@H](CF)NCc1ccc(C2CCC2)cc1 ZINC000339404999 388482790 /nfs/dbraw/zinc/48/27/90/388482790.db2.gz VXXGHCWEIYWAKH-NSHDSACASA-N 0 3 221.319 3.402 20 0 BGADHN Cn1ccc(CNCc2coc3ccccc23)c1 ZINC000339407542 386414944 /nfs/dbraw/zinc/41/49/44/386414944.db2.gz OXAPPCJJDLFLAO-UHFFFAOYSA-N 0 3 240.306 3.061 20 0 BGADHN Cn1cccc1CNCc1coc2ccccc12 ZINC000339408087 386413499 /nfs/dbraw/zinc/41/34/99/386413499.db2.gz PUKLVXCIPRKDJG-UHFFFAOYSA-N 0 3 240.306 3.061 20 0 BGADHN Cc1nocc1CNCC(C)(C)C(C)(C)C ZINC000339409462 388482104 /nfs/dbraw/zinc/48/21/04/388482104.db2.gz YZUVEPJZBNYIOE-UHFFFAOYSA-N 0 3 224.348 3.145 20 0 BGADHN CC[C@H](CNCc1cc(C)cc(Cl)c1)OC ZINC000339410043 388482961 /nfs/dbraw/zinc/48/29/61/388482961.db2.gz DBWFKCPOXADXKQ-CYBMUJFWSA-N 0 3 241.762 3.163 20 0 BGADHN CC[C@@H](CNCc1cc(C)cc(Cl)c1)OC ZINC000339410046 170828465 /nfs/dbraw/zinc/82/84/65/170828465.db2.gz DBWFKCPOXADXKQ-ZDUSSCGKSA-N 0 3 241.762 3.163 20 0 BGADHN Cc1ccccc1CN(CCOC(C)C)C1CC1 ZINC000339425309 179272734 /nfs/dbraw/zinc/27/27/34/179272734.db2.gz NUBKEXVGYPTAAM-UHFFFAOYSA-N 0 3 247.382 3.384 20 0 BGADHN CCc1noc(C)c1CNCC(CC)CC ZINC000339435578 172079220 /nfs/dbraw/zinc/07/92/20/172079220.db2.gz CRNALOJJSLWHSA-UHFFFAOYSA-N 0 3 224.348 3.071 20 0 BGADHN CCc1noc(C)c1CNCC1CCCCC1 ZINC000339436243 172078508 /nfs/dbraw/zinc/07/85/08/172078508.db2.gz GCKCHQDOSDEIIY-UHFFFAOYSA-N 0 3 236.359 3.215 20 0 BGADHN CCc1noc(C)c1CN[C@@H]1CCC[C@H](C)C1 ZINC000339436866 172079626 /nfs/dbraw/zinc/07/96/26/172079626.db2.gz HIUTVKHNWWMULO-CMPLNLGQSA-N 0 3 236.359 3.214 20 0 BGADHN CCc1noc(C)c1CN[C@H]1CCC[C@H](C)C1 ZINC000339436869 172080369 /nfs/dbraw/zinc/08/03/69/172080369.db2.gz HIUTVKHNWWMULO-JQWIXIFHSA-N 0 3 236.359 3.214 20 0 BGADHN CCc1noc(C)c1CN[C@H]1CCC[C@@H](C)C1 ZINC000339436871 172080776 /nfs/dbraw/zinc/08/07/76/172080776.db2.gz HIUTVKHNWWMULO-PWSUYJOCSA-N 0 3 236.359 3.214 20 0 BGADHN CCc1noc(C)c1CN[C@@H]1CCC[C@@H](C)C1 ZINC000339436874 172078638 /nfs/dbraw/zinc/07/86/38/172078638.db2.gz HIUTVKHNWWMULO-ZYHUDNBSSA-N 0 3 236.359 3.214 20 0 BGADHN CCC[C@H](C)CNCc1c(CC)noc1C ZINC000339437344 169482546 /nfs/dbraw/zinc/48/25/46/169482546.db2.gz NXXWJZBMBFBNSI-JTQLQIEISA-N 0 3 224.348 3.071 20 0 BGADHN CCC[C@@H](C)CNCc1c(CC)noc1C ZINC000339437345 169360086 /nfs/dbraw/zinc/36/00/86/169360086.db2.gz NXXWJZBMBFBNSI-SNVBAGLBSA-N 0 3 224.348 3.071 20 0 BGADHN CCc1noc(C)c1CN[C@H](C)[C@H]1CC1(C)C ZINC000339437828 172080720 /nfs/dbraw/zinc/08/07/20/172080720.db2.gz MYMAOYMVDNSLKI-BXKDBHETSA-N 0 3 236.359 3.070 20 0 BGADHN CCc1noc(C)c1CN[C@@H](C)[C@@H]1CC1(C)C ZINC000339437830 172080006 /nfs/dbraw/zinc/08/00/06/172080006.db2.gz MYMAOYMVDNSLKI-CABZTGNLSA-N 0 3 236.359 3.070 20 0 BGADHN CCc1noc(C)c1CN[C@@H](C)[C@H]1CC1(C)C ZINC000339437834 172079699 /nfs/dbraw/zinc/07/96/99/172079699.db2.gz MYMAOYMVDNSLKI-JOYOIKCWSA-N 0 3 236.359 3.070 20 0 BGADHN CCc1noc(C)c1CN[C@H](C)[C@@H]1CC1(C)C ZINC000339437836 172079100 /nfs/dbraw/zinc/07/91/00/172079100.db2.gz MYMAOYMVDNSLKI-SKDRFNHKSA-N 0 3 236.359 3.070 20 0 BGADHN CCc1noc(C)c1CNC1CCC(C)CC1 ZINC000339437949 172079906 /nfs/dbraw/zinc/07/99/06/172079906.db2.gz RIZNKTRBSOTSFY-UHFFFAOYSA-N 0 3 236.359 3.214 20 0 BGADHN CCc1noc(C)c1CN[C@@H](C)CC(C)C ZINC000339438003 172079889 /nfs/dbraw/zinc/07/98/89/172079889.db2.gz RQTXSXHMBZROJZ-JTQLQIEISA-N 0 3 224.348 3.070 20 0 BGADHN CCc1noc(C)c1CN[C@H](C)CC(C)C ZINC000339438006 172079215 /nfs/dbraw/zinc/07/92/15/172079215.db2.gz RQTXSXHMBZROJZ-SNVBAGLBSA-N 0 3 224.348 3.070 20 0 BGADHN CCc1noc(C)c1CNC1CCC2(CC2)CC1 ZINC000339438934 172079994 /nfs/dbraw/zinc/07/99/94/172079994.db2.gz QXYUUKWAPADZLZ-UHFFFAOYSA-N 0 3 248.370 3.358 20 0 BGADHN CCc1noc(C)c1CNC1CCCCCC1 ZINC000339440297 172079279 /nfs/dbraw/zinc/07/92/79/172079279.db2.gz WHKIWYCLFJXCOR-UHFFFAOYSA-N 0 3 236.359 3.358 20 0 BGADHN CCc1noc(C)c1CNCCCC(C)C ZINC000339441395 172079080 /nfs/dbraw/zinc/07/90/80/172079080.db2.gz MMNAMAOKFOSGAU-UHFFFAOYSA-N 0 3 224.348 3.071 20 0 BGADHN CCOCC(C)(C)NCc1ccc2occc2c1 ZINC000339449773 170355244 /nfs/dbraw/zinc/35/52/44/170355244.db2.gz PDHSLGTZTMVHDF-UHFFFAOYSA-N 0 3 247.338 3.338 20 0 BGADHN CCOCC(C)(C)NCc1coc2ccccc12 ZINC000339450057 170355081 /nfs/dbraw/zinc/35/50/81/170355081.db2.gz LDKCWQQSUZJVQV-UHFFFAOYSA-N 0 3 247.338 3.338 20 0 BGADHN Cc1ccc(CN[C@@H](C)c2cc[nH]c(=O)c2)s1 ZINC000339459538 386439681 /nfs/dbraw/zinc/43/96/81/386439681.db2.gz RCFJLUDMOGLZIV-JTQLQIEISA-N 0 3 248.351 3.008 20 0 BGADHN Cc1ccc(CN[C@H](C)c2cc[nH]c(=O)c2)s1 ZINC000339459539 386439946 /nfs/dbraw/zinc/43/99/46/386439946.db2.gz RCFJLUDMOGLZIV-SNVBAGLBSA-N 0 3 248.351 3.008 20 0 BGADHN Cc1sccc1CN[C@H](C)c1cc[nH]c(=O)c1 ZINC000339460012 386437979 /nfs/dbraw/zinc/43/79/79/386437979.db2.gz WCNOLZBXOXRPJM-SECBINFHSA-N 0 3 248.351 3.008 20 0 BGADHN Cc1sccc1CN[C@@H](C)c1cc[nH]c(=O)c1 ZINC000339460014 386439990 /nfs/dbraw/zinc/43/99/90/386439990.db2.gz WCNOLZBXOXRPJM-VIFPVBQESA-N 0 3 248.351 3.008 20 0 BGADHN CC(C)n1cc(CNC2CC(C(C)(C)C)C2)cn1 ZINC000339462845 386441123 /nfs/dbraw/zinc/44/11/23/386441123.db2.gz BGKFFAVOBGFJRK-UHFFFAOYSA-N 0 3 249.402 3.378 20 0 BGADHN CC(C)n1nccc1CNC1CC(C(C)(C)C)C1 ZINC000339463307 386443018 /nfs/dbraw/zinc/44/30/18/386443018.db2.gz BQRGONAQQRAOOY-UHFFFAOYSA-N 0 3 249.402 3.378 20 0 BGADHN CC(C)(C)C1CC(NCc2cncs2)C1 ZINC000339464451 388484224 /nfs/dbraw/zinc/48/42/24/388484224.db2.gz FIJMPVBXECIMET-UHFFFAOYSA-N 0 3 224.373 3.057 20 0 BGADHN COc1ccc(CNC2CC(C(C)(C)C)C2)cn1 ZINC000339464456 175105275 /nfs/dbraw/zinc/10/52/75/175105275.db2.gz IDKUDULUBPFLOY-UHFFFAOYSA-N 0 3 248.370 3.005 20 0 BGADHN Cc1ncsc1CNC1CC(C(C)(C)C)C1 ZINC000339464960 180320151 /nfs/dbraw/zinc/32/01/51/180320151.db2.gz FYGYCKNUMXKVTK-UHFFFAOYSA-N 0 3 238.400 3.366 20 0 BGADHN CC(C)(C)C1CC(NCc2cncc(F)c2)C1 ZINC000339465366 386441330 /nfs/dbraw/zinc/44/13/30/386441330.db2.gz IJDSTRNONKZJDH-UHFFFAOYSA-N 0 3 236.334 3.135 20 0 BGADHN Cc1ccsc1CN[C@@H](C)c1cc[nH]c(=O)c1 ZINC000339465901 386442230 /nfs/dbraw/zinc/44/22/30/386442230.db2.gz GNQPMVWMCAROPY-JTQLQIEISA-N 0 3 248.351 3.008 20 0 BGADHN Cc1ccsc1CN[C@H](C)c1cc[nH]c(=O)c1 ZINC000339465902 386441102 /nfs/dbraw/zinc/44/11/02/386441102.db2.gz GNQPMVWMCAROPY-SNVBAGLBSA-N 0 3 248.351 3.008 20 0 BGADHN Cc1ccc(CNC2CC(C(C)(C)C)C2)nc1 ZINC000339466723 386441560 /nfs/dbraw/zinc/44/15/60/386441560.db2.gz IVGCIYBSHGTSRF-UHFFFAOYSA-N 0 3 232.371 3.304 20 0 BGADHN COc1cccc(CNC2CC(C(C)(C)C)C2)n1 ZINC000339466898 175263883 /nfs/dbraw/zinc/26/38/83/175263883.db2.gz KLYJLMLSFUGTOC-UHFFFAOYSA-N 0 3 248.370 3.005 20 0 BGADHN Cc1csc(CNC2CC(C(C)(C)C)C2)n1 ZINC000339466936 179775254 /nfs/dbraw/zinc/77/52/54/179775254.db2.gz KQZMJBGURAGDCB-UHFFFAOYSA-N 0 3 238.400 3.366 20 0 BGADHN CC(C)(C)C1CC(NCc2ccoc2)C1 ZINC000339466974 388484101 /nfs/dbraw/zinc/48/41/01/388484101.db2.gz SFVZQHFVJYCQBO-UHFFFAOYSA-N 0 3 207.317 3.194 20 0 BGADHN CCCn1cc(CNC2CC(C(C)(C)C)C2)cn1 ZINC000339467940 386442399 /nfs/dbraw/zinc/44/23/99/386442399.db2.gz NIOBOWWCSMATJY-UHFFFAOYSA-N 0 3 249.402 3.207 20 0 BGADHN CC(C)(C)C1CC(NCc2ccco2)C1 ZINC000339467988 388483792 /nfs/dbraw/zinc/48/37/92/388483792.db2.gz NLVKIIWQGZQUMR-UHFFFAOYSA-N 0 3 207.317 3.194 20 0 BGADHN Cc1noc(C)c1CNC1CC(C(C)(C)C)C1 ZINC000339468361 386442129 /nfs/dbraw/zinc/44/21/29/386442129.db2.gz ZFECECVOOMTHNS-UHFFFAOYSA-N 0 3 236.359 3.206 20 0 BGADHN Cc1ncc(CNC2CC(C(C)(C)C)C2)s1 ZINC000339469174 180150490 /nfs/dbraw/zinc/15/04/90/180150490.db2.gz QVSXQXGPWRWESV-UHFFFAOYSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1ccc([O-])c(C[NH2+]C2CC(C(C)(C)C)C2)n1 ZINC000339469273 386443941 /nfs/dbraw/zinc/44/39/41/386443941.db2.gz RJUHKGJSKDMKAQ-UHFFFAOYSA-N 0 3 248.370 3.010 20 0 BGADHN CCc1nocc1CNC1CC(C(C)(C)C)C1 ZINC000339472816 172098945 /nfs/dbraw/zinc/09/89/45/172098945.db2.gz ZIGQTPNWSACMEQ-UHFFFAOYSA-N 0 3 236.359 3.151 20 0 BGADHN C[C@H](F)CCNCc1cc2ccccc2o1 ZINC000339482180 388484213 /nfs/dbraw/zinc/48/42/13/388484213.db2.gz DSBUZNYVKNUNFY-JTQLQIEISA-N 0 3 221.275 3.271 20 0 BGADHN C[C@@H](F)CCNCc1cc2ccccc2o1 ZINC000339482184 388484155 /nfs/dbraw/zinc/48/41/55/388484155.db2.gz DSBUZNYVKNUNFY-SNVBAGLBSA-N 0 3 221.275 3.271 20 0 BGADHN C[C@@H](F)CCNCc1ccc(Cl)s1 ZINC000339482275 175789534 /nfs/dbraw/zinc/78/95/34/175789534.db2.gz HECYHWZGBGXOSP-SSDOTTSWSA-N 0 3 221.728 3.239 20 0 BGADHN C[C@H](F)CCNCc1ccc(Cl)s1 ZINC000339482278 388483697 /nfs/dbraw/zinc/48/36/97/388483697.db2.gz HECYHWZGBGXOSP-ZETCQYMHSA-N 0 3 221.728 3.239 20 0 BGADHN C[C@@H](F)CCNCc1ccsc1Cl ZINC000339482842 384998859 /nfs/dbraw/zinc/99/88/59/384998859.db2.gz GWVSIGRPYUKMPS-SSDOTTSWSA-N 0 3 221.728 3.239 20 0 BGADHN C[C@H](F)CCNCc1ccsc1Cl ZINC000339482846 384998826 /nfs/dbraw/zinc/99/88/26/384998826.db2.gz GWVSIGRPYUKMPS-ZETCQYMHSA-N 0 3 221.728 3.239 20 0 BGADHN C[C@@H](F)CCNCc1cc(Cl)ccc1F ZINC000339483633 384999980 /nfs/dbraw/zinc/99/99/80/384999980.db2.gz CIRUCZOLXMEXJF-MRVPVSSYSA-N 0 3 233.689 3.317 20 0 BGADHN C[C@H](F)CCNCc1cc(Cl)ccc1F ZINC000339483634 384999908 /nfs/dbraw/zinc/99/99/08/384999908.db2.gz CIRUCZOLXMEXJF-QMMMGPOBSA-N 0 3 233.689 3.317 20 0 BGADHN C[C@@H](F)CCNCc1ccc(Cl)cc1F ZINC000339484088 385003900 /nfs/dbraw/zinc/00/39/00/385003900.db2.gz KGHRAXMXCLTOPO-MRVPVSSYSA-N 0 3 233.689 3.317 20 0 BGADHN C[C@H](F)CCNCc1ccc(Cl)cc1F ZINC000339484092 385002797 /nfs/dbraw/zinc/00/27/97/385002797.db2.gz KGHRAXMXCLTOPO-QMMMGPOBSA-N 0 3 233.689 3.317 20 0 BGADHN C[C@@H](F)CCNCc1cnc(C(C)(C)C)s1 ZINC000339484728 385002255 /nfs/dbraw/zinc/00/22/55/385002255.db2.gz BJQBULWVVOMKGP-SECBINFHSA-N 0 3 244.379 3.278 20 0 BGADHN C[C@H](F)CCNCc1cnc(C(C)(C)C)s1 ZINC000339484731 385578541 /nfs/dbraw/zinc/57/85/41/385578541.db2.gz BJQBULWVVOMKGP-VIFPVBQESA-N 0 3 244.379 3.278 20 0 BGADHN C[C@@H](F)CCNCc1c(F)cccc1Cl ZINC000339484890 388483551 /nfs/dbraw/zinc/48/35/51/388483551.db2.gz OPKWGNYKMKKAPU-MRVPVSSYSA-N 0 3 233.689 3.317 20 0 BGADHN C[C@H](F)CCNCc1c(F)cccc1Cl ZINC000339484893 388484398 /nfs/dbraw/zinc/48/43/98/388484398.db2.gz OPKWGNYKMKKAPU-QMMMGPOBSA-N 0 3 233.689 3.317 20 0 BGADHN C[C@@H](F)CCNCc1ccc(Cl)c(F)c1 ZINC000339486371 388484353 /nfs/dbraw/zinc/48/43/53/388484353.db2.gz SCGRMSQTWZYZLJ-MRVPVSSYSA-N 0 3 233.689 3.317 20 0 BGADHN C[C@H](F)CCNCc1ccc(Cl)c(F)c1 ZINC000339486375 388484324 /nfs/dbraw/zinc/48/43/24/388484324.db2.gz SCGRMSQTWZYZLJ-QMMMGPOBSA-N 0 3 233.689 3.317 20 0 BGADHN Cc1nn(C(C)(C)C)c(C)c1CN[C@@H]1CC1(C)C ZINC000339488484 180332183 /nfs/dbraw/zinc/33/21/83/180332183.db2.gz AJEJSEQVRIYRPT-CYBMUJFWSA-N 0 3 249.402 3.143 20 0 BGADHN Cc1nn(C(C)(C)C)c(C)c1CN[C@H]1CC1(C)C ZINC000339488492 180332307 /nfs/dbraw/zinc/33/23/07/180332307.db2.gz AJEJSEQVRIYRPT-ZDUSSCGKSA-N 0 3 249.402 3.143 20 0 BGADHN CC(C)c1cnc(CNCC[C@@H](C)F)s1 ZINC000339488721 385004396 /nfs/dbraw/zinc/00/43/96/385004396.db2.gz BOYHOMPOSWKGSE-SECBINFHSA-N 0 3 230.352 3.104 20 0 BGADHN CC(C)c1cnc(CNCC[C@H](C)F)s1 ZINC000339488725 188177388 /nfs/dbraw/zinc/17/73/88/188177388.db2.gz BOYHOMPOSWKGSE-VIFPVBQESA-N 0 3 230.352 3.104 20 0 BGADHN CCc1cccc(F)c1CNCC[C@H](C)F ZINC000339488774 385003874 /nfs/dbraw/zinc/00/38/74/385003874.db2.gz PYQUEOPJPLFAOD-JTQLQIEISA-N 0 3 227.298 3.226 20 0 BGADHN CCc1cccc(F)c1CNCC[C@@H](C)F ZINC000339488786 385003139 /nfs/dbraw/zinc/00/31/39/385003139.db2.gz PYQUEOPJPLFAOD-SNVBAGLBSA-N 0 3 227.298 3.226 20 0 BGADHN C[C@@H](F)CCNCc1cc(F)cc(Cl)c1 ZINC000339489498 385003311 /nfs/dbraw/zinc/00/33/11/385003311.db2.gz FZOPLULQLIEKIW-MRVPVSSYSA-N 0 3 233.689 3.317 20 0 BGADHN C[C@H](F)CCNCc1cc(F)cc(Cl)c1 ZINC000339489500 176740031 /nfs/dbraw/zinc/74/00/31/176740031.db2.gz FZOPLULQLIEKIW-QMMMGPOBSA-N 0 3 233.689 3.317 20 0 BGADHN CC(C)Cc1ncc(CNCC[C@H](C)F)s1 ZINC000339489524 188353724 /nfs/dbraw/zinc/35/37/24/188353724.db2.gz GOQYXHWCGBIJGA-JTQLQIEISA-N 0 3 244.379 3.179 20 0 BGADHN CC(C)Cc1ncc(CNCC[C@@H](C)F)s1 ZINC000339489525 188354057 /nfs/dbraw/zinc/35/40/57/188354057.db2.gz GOQYXHWCGBIJGA-SNVBAGLBSA-N 0 3 244.379 3.179 20 0 BGADHN C[C@@H](F)CCNCc1cccc(Cl)c1F ZINC000339489627 385003383 /nfs/dbraw/zinc/00/33/83/385003383.db2.gz SBPIDZUAXZMUNW-MRVPVSSYSA-N 0 3 233.689 3.317 20 0 BGADHN C[C@H](F)CCNCc1cccc(Cl)c1F ZINC000339489628 385002886 /nfs/dbraw/zinc/00/28/86/385002886.db2.gz SBPIDZUAXZMUNW-QMMMGPOBSA-N 0 3 233.689 3.317 20 0 BGADHN C[C@@H](F)CCNCc1ccccc1Cl ZINC000339489635 385127546 /nfs/dbraw/zinc/12/75/46/385127546.db2.gz HGXMYFAPMWCBSB-SECBINFHSA-N 0 3 215.699 3.178 20 0 BGADHN C[C@H](F)CCNCc1ccccc1Cl ZINC000339489636 385001957 /nfs/dbraw/zinc/00/19/57/385001957.db2.gz HGXMYFAPMWCBSB-VIFPVBQESA-N 0 3 215.699 3.178 20 0 BGADHN C[C@H](F)CCNCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000339490306 388484338 /nfs/dbraw/zinc/48/43/38/388484338.db2.gz KIGFKXHDMXLOKX-JBLDHEPKSA-N 0 3 225.307 3.241 20 0 BGADHN C[C@H](F)CCNCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000339490309 388484263 /nfs/dbraw/zinc/48/42/63/388484263.db2.gz KIGFKXHDMXLOKX-JFGNBEQYSA-N 0 3 225.307 3.241 20 0 BGADHN C[C@H](F)CCNCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000339490312 388484286 /nfs/dbraw/zinc/48/42/86/388484286.db2.gz KIGFKXHDMXLOKX-NHCYSSNCSA-N 0 3 225.307 3.241 20 0 BGADHN C[C@H](F)CCNCc1ccc([C@H]2C[C@H]2C)o1 ZINC000339490315 388484217 /nfs/dbraw/zinc/48/42/17/388484217.db2.gz KIGFKXHDMXLOKX-SCVCMEIPSA-N 0 3 225.307 3.241 20 0 BGADHN C[C@@H](F)CCNCc1ccc(F)cc1Cl ZINC000339491411 388484235 /nfs/dbraw/zinc/48/42/35/388484235.db2.gz YBTRIWNRNQGGDQ-MRVPVSSYSA-N 0 3 233.689 3.317 20 0 BGADHN C[C@H](F)CCNCc1ccc(F)cc1Cl ZINC000339491416 385006747 /nfs/dbraw/zinc/00/67/47/385006747.db2.gz YBTRIWNRNQGGDQ-QMMMGPOBSA-N 0 3 233.689 3.317 20 0 BGADHN CCOc1ccc(CNCC[C@H](C)F)cc1F ZINC000339492811 386446043 /nfs/dbraw/zinc/44/60/43/386446043.db2.gz FMOYWZZYOVOJSM-JTQLQIEISA-N 0 3 243.297 3.062 20 0 BGADHN CCOc1ccc(CNCC[C@@H](C)F)cc1F ZINC000339492813 386446170 /nfs/dbraw/zinc/44/61/70/386446170.db2.gz FMOYWZZYOVOJSM-SNVBAGLBSA-N 0 3 243.297 3.062 20 0 BGADHN CC(C)c1ncc(CNCC[C@@H](C)F)s1 ZINC000339492837 385007016 /nfs/dbraw/zinc/00/70/16/385007016.db2.gz FZDLQRQLIWZLSZ-SECBINFHSA-N 0 3 230.352 3.104 20 0 BGADHN CC(C)c1ncc(CNCC[C@H](C)F)s1 ZINC000339492838 187312770 /nfs/dbraw/zinc/31/27/70/187312770.db2.gz FZDLQRQLIWZLSZ-VIFPVBQESA-N 0 3 230.352 3.104 20 0 BGADHN C[C@@H](F)CCNCc1cc2cc(F)ccc2o1 ZINC000339493577 386444027 /nfs/dbraw/zinc/44/40/27/386444027.db2.gz IOOMFJWEVHOVGL-SECBINFHSA-N 0 3 239.265 3.410 20 0 BGADHN C[C@H](F)CCNCc1cc2cc(F)ccc2o1 ZINC000339493578 386445437 /nfs/dbraw/zinc/44/54/37/386445437.db2.gz IOOMFJWEVHOVGL-VIFPVBQESA-N 0 3 239.265 3.410 20 0 BGADHN C[C@@H](F)CCNCc1sccc1Cl ZINC000339494813 385006555 /nfs/dbraw/zinc/00/65/55/385006555.db2.gz MESKMAJBJFZSEA-SSDOTTSWSA-N 0 3 221.728 3.239 20 0 BGADHN C[C@H](F)CCNCc1sccc1Cl ZINC000339494815 385007494 /nfs/dbraw/zinc/00/74/94/385007494.db2.gz MESKMAJBJFZSEA-ZETCQYMHSA-N 0 3 221.728 3.239 20 0 BGADHN C[C@@H](F)CCNCc1cnc(C2CCC2)s1 ZINC000339494898 385005800 /nfs/dbraw/zinc/00/58/00/385005800.db2.gz NFJIRRLSAIJCOO-SECBINFHSA-N 0 3 242.363 3.248 20 0 BGADHN C[C@H](F)CCNCc1cnc(C2CCC2)s1 ZINC000339495651 385007374 /nfs/dbraw/zinc/00/73/74/385007374.db2.gz NFJIRRLSAIJCOO-VIFPVBQESA-N 0 3 242.363 3.248 20 0 BGADHN CC(C)Oc1ccccc1CNCC[C@@H](C)F ZINC000339495804 167311258 /nfs/dbraw/zinc/31/12/58/167311258.db2.gz NXFQXASFTNXQHW-GFCCVEGCSA-N 0 3 239.334 3.312 20 0 BGADHN CC(C)Oc1ccccc1CNCC[C@H](C)F ZINC000339495808 167310658 /nfs/dbraw/zinc/31/06/58/167310658.db2.gz NXFQXASFTNXQHW-LBPRGKRZSA-N 0 3 239.334 3.312 20 0 BGADHN C[C@@H](F)CCNCc1ncc(C(C)(C)C)s1 ZINC000339495821 385007288 /nfs/dbraw/zinc/00/72/88/385007288.db2.gz KUQIROKMFFFYPV-SECBINFHSA-N 0 3 244.379 3.278 20 0 BGADHN C[C@H](F)CCNCc1ncc(C(C)(C)C)s1 ZINC000339495824 176741258 /nfs/dbraw/zinc/74/12/58/176741258.db2.gz KUQIROKMFFFYPV-VIFPVBQESA-N 0 3 244.379 3.278 20 0 BGADHN C[C@@H](F)CCNCc1ccccc1OC(F)F ZINC000339495910 386444135 /nfs/dbraw/zinc/44/41/35/386444135.db2.gz LREDKTDBBNJGIX-SECBINFHSA-N 0 3 247.260 3.126 20 0 BGADHN C[C@H](F)CCNCc1ccccc1OC(F)F ZINC000339495912 386445641 /nfs/dbraw/zinc/44/56/41/386445641.db2.gz LREDKTDBBNJGIX-VIFPVBQESA-N 0 3 247.260 3.126 20 0 BGADHN COc1cccc(Cl)c1CNCC[C@@H](C)F ZINC000339497328 175273253 /nfs/dbraw/zinc/27/32/53/175273253.db2.gz VURCGFYORMUOCO-SECBINFHSA-N 0 3 245.725 3.186 20 0 BGADHN COc1cccc(Cl)c1CNCC[C@H](C)F ZINC000339497329 175273866 /nfs/dbraw/zinc/27/38/66/175273866.db2.gz VURCGFYORMUOCO-VIFPVBQESA-N 0 3 245.725 3.186 20 0 BGADHN COc1ccc(CNCC[C@@H](C)F)c(Cl)c1 ZINC000339499438 385006955 /nfs/dbraw/zinc/00/69/55/385006955.db2.gz YCWWYVUFNMGWTL-SECBINFHSA-N 0 3 245.725 3.186 20 0 BGADHN COc1ccc(CNCC[C@H](C)F)c(Cl)c1 ZINC000339499439 385007228 /nfs/dbraw/zinc/00/72/28/385007228.db2.gz YCWWYVUFNMGWTL-VIFPVBQESA-N 0 3 245.725 3.186 20 0 BGADHN C[C@@H](F)CCNCc1ccc(F)c(Cl)c1 ZINC000339499482 385007549 /nfs/dbraw/zinc/00/75/49/385007549.db2.gz ZLDUVMMYATWMQD-MRVPVSSYSA-N 0 3 233.689 3.317 20 0 BGADHN C[C@H](F)CCNCc1ccc(F)c(Cl)c1 ZINC000339499483 385008005 /nfs/dbraw/zinc/00/80/05/385008005.db2.gz ZLDUVMMYATWMQD-QMMMGPOBSA-N 0 3 233.689 3.317 20 0 BGADHN CCCc1csc(CNC2(C(C)C)CC2)n1 ZINC000339500595 385005631 /nfs/dbraw/zinc/00/56/31/385005631.db2.gz CBEXGYIAHKEJLZ-UHFFFAOYSA-N 0 3 238.400 3.374 20 0 BGADHN CC(C)C1(NCc2cccc(F)c2F)CC1 ZINC000339502536 385002652 /nfs/dbraw/zinc/00/26/52/385002652.db2.gz SHGYNMFZMSKXSL-UHFFFAOYSA-N 0 3 225.282 3.243 20 0 BGADHN COc1ccc(C)cc1CNC1(C(C)C)CC1 ZINC000339502949 175075600 /nfs/dbraw/zinc/07/56/00/175075600.db2.gz VSSIYNXOBXDICT-UHFFFAOYSA-N 0 3 233.355 3.282 20 0 BGADHN COc1ccc(F)c(CNC2(C(C)C)CC2)c1 ZINC000339502952 175124547 /nfs/dbraw/zinc/12/45/47/175124547.db2.gz VVFKIZKCYWXBRE-UHFFFAOYSA-N 0 3 237.318 3.113 20 0 BGADHN CCc1ccc(CNC2(C(C)C)CC2)o1 ZINC000339503203 388484259 /nfs/dbraw/zinc/48/42/59/388484259.db2.gz VJYHQZLKBWAYNO-UHFFFAOYSA-N 0 3 207.317 3.120 20 0 BGADHN CC(C)C1(NCc2ccc(F)cc2F)CC1 ZINC000339503277 388484002 /nfs/dbraw/zinc/48/40/02/388484002.db2.gz HMEVUOIOOXXTKH-UHFFFAOYSA-N 0 3 225.282 3.243 20 0 BGADHN CC(C)C1(NCc2scnc2C2CC2)CC1 ZINC000339503619 384860467 /nfs/dbraw/zinc/86/04/67/384860467.db2.gz ZUJVSAYYUKGHEJ-UHFFFAOYSA-N 0 3 236.384 3.299 20 0 BGADHN Cc1nn(C(C)C)cc1CNC1(C(C)C)CC1 ZINC000339504357 386454738 /nfs/dbraw/zinc/45/47/38/386454738.db2.gz IKHDFYCYUPKIKE-UHFFFAOYSA-N 0 3 235.375 3.051 20 0 BGADHN CC(C)C1(NCc2cc(F)cc(F)c2)CC1 ZINC000339504362 388484080 /nfs/dbraw/zinc/48/40/80/388484080.db2.gz IRMNVUOKKXABRL-UHFFFAOYSA-N 0 3 225.282 3.243 20 0 BGADHN CC(C)C1(NCc2cc(F)c(F)c(F)c2)CC1 ZINC000339504407 388483801 /nfs/dbraw/zinc/48/38/01/388483801.db2.gz JPKYQJPQLIQBOQ-UHFFFAOYSA-N 0 3 243.272 3.382 20 0 BGADHN CC(C)C1(NCc2ccc(Cl)o2)CC1 ZINC000339504963 388484320 /nfs/dbraw/zinc/48/43/20/388484320.db2.gz ZTPYNMFYOIDKGN-UHFFFAOYSA-N 0 3 213.708 3.211 20 0 BGADHN CC(C)C1(NCc2cc(F)ccc2F)CC1 ZINC000339507453 388483868 /nfs/dbraw/zinc/48/38/68/388483868.db2.gz PVKWBYVPADCUSE-UHFFFAOYSA-N 0 3 225.282 3.243 20 0 BGADHN CC(C)C1(NCc2ccccc2F)CC1 ZINC000339507993 385010085 /nfs/dbraw/zinc/01/00/85/385010085.db2.gz NZKNLWXCBNTRCB-UHFFFAOYSA-N 0 3 207.292 3.104 20 0 BGADHN CC(C)C1(NCc2cc(F)c(F)cc2F)CC1 ZINC000339508335 385011425 /nfs/dbraw/zinc/01/14/25/385011425.db2.gz UTOLSYBNMPUDSB-UHFFFAOYSA-N 0 3 243.272 3.382 20 0 BGADHN COc1ccc(F)cc1CNC1(C(C)C)CC1 ZINC000339508353 175130468 /nfs/dbraw/zinc/13/04/68/175130468.db2.gz UWERRSYWFLFFSJ-UHFFFAOYSA-N 0 3 237.318 3.113 20 0 BGADHN Cc1ccoc1CNC[C@H]1C[C@H]1c1ccccc1 ZINC000339511444 386456369 /nfs/dbraw/zinc/45/63/69/386456369.db2.gz OQZBNLBVACJFNO-CABCVRRESA-N 0 3 241.334 3.481 20 0 BGADHN Cc1ccoc1CNC[C@@H]1C[C@H]1c1ccccc1 ZINC000339511445 386457443 /nfs/dbraw/zinc/45/74/43/386457443.db2.gz OQZBNLBVACJFNO-GJZGRUSLSA-N 0 3 241.334 3.481 20 0 BGADHN Cc1ccoc1CNC[C@H]1C[C@@H]1c1ccccc1 ZINC000339511447 386457890 /nfs/dbraw/zinc/45/78/90/386457890.db2.gz OQZBNLBVACJFNO-HUUCEWRRSA-N 0 3 241.334 3.481 20 0 BGADHN Cc1ccoc1CNC[C@@H]1C[C@@H]1c1ccccc1 ZINC000339511449 386456972 /nfs/dbraw/zinc/45/69/72/386456972.db2.gz OQZBNLBVACJFNO-LSDHHAIUSA-N 0 3 241.334 3.481 20 0 BGADHN CC(C)C1(NCc2nc3ccccc3o2)CC1 ZINC000339512179 386457742 /nfs/dbraw/zinc/45/77/42/386457742.db2.gz KYRNLJKUQYVSBI-UHFFFAOYSA-N 0 3 230.311 3.106 20 0 BGADHN CC(C)C1(NCc2nc3ccc(F)cc3o2)CC1 ZINC000339513461 386460454 /nfs/dbraw/zinc/46/04/54/386460454.db2.gz SCADAJCBBBECPO-UHFFFAOYSA-N 0 3 248.301 3.245 20 0 BGADHN CC(C)C1(NCc2ccncc2Cl)CC1 ZINC000339513992 385009464 /nfs/dbraw/zinc/00/94/64/385009464.db2.gz ONJIAKOYGKBCAM-UHFFFAOYSA-N 0 3 224.735 3.013 20 0 BGADHN c1csc(CNC[C@H]2C[C@@H]2c2ccccc2)n1 ZINC000339514114 386459648 /nfs/dbraw/zinc/45/96/48/386459648.db2.gz KZAWWJHZBHBSBB-CHWSQXEVSA-N 0 3 244.363 3.036 20 0 BGADHN c1csc(CNC[C@H]2C[C@H]2c2ccccc2)n1 ZINC000339514118 386460166 /nfs/dbraw/zinc/46/01/66/386460166.db2.gz KZAWWJHZBHBSBB-OLZOCXBDSA-N 0 3 244.363 3.036 20 0 BGADHN c1csc(CNC[C@@H]2C[C@@H]2c2ccccc2)n1 ZINC000339514122 386459403 /nfs/dbraw/zinc/45/94/03/386459403.db2.gz KZAWWJHZBHBSBB-QWHCGFSZSA-N 0 3 244.363 3.036 20 0 BGADHN c1csc(CNC[C@@H]2C[C@H]2c2ccccc2)n1 ZINC000339514124 386460400 /nfs/dbraw/zinc/46/04/00/386460400.db2.gz KZAWWJHZBHBSBB-STQMWFEESA-N 0 3 244.363 3.036 20 0 BGADHN CC(C)C1(NCc2nc(C3CC3)cs2)CC1 ZINC000339515223 385011400 /nfs/dbraw/zinc/01/14/00/385011400.db2.gz FFQASJSSVZBERW-UHFFFAOYSA-N 0 3 236.384 3.299 20 0 BGADHN c1cc(CNC[C@H]2C[C@H]2c2ccccc2)co1 ZINC000339517117 386462688 /nfs/dbraw/zinc/46/26/88/386462688.db2.gz WMYWMEVZAMRGBU-CABCVRRESA-N 0 3 227.307 3.173 20 0 BGADHN c1cc(CNC[C@@H]2C[C@H]2c2ccccc2)co1 ZINC000339517119 386462612 /nfs/dbraw/zinc/46/26/12/386462612.db2.gz WMYWMEVZAMRGBU-GJZGRUSLSA-N 0 3 227.307 3.173 20 0 BGADHN c1cc(CNC[C@H]2C[C@@H]2c2ccccc2)co1 ZINC000339517122 386463029 /nfs/dbraw/zinc/46/30/29/386463029.db2.gz WMYWMEVZAMRGBU-HUUCEWRRSA-N 0 3 227.307 3.173 20 0 BGADHN c1cc(CNC[C@@H]2C[C@@H]2c2ccccc2)co1 ZINC000339517124 386462495 /nfs/dbraw/zinc/46/24/95/386462495.db2.gz WMYWMEVZAMRGBU-LSDHHAIUSA-N 0 3 227.307 3.173 20 0 BGADHN CC(C)C1(NCc2nc3cc(F)ccc3o2)CC1 ZINC000339517634 386451193 /nfs/dbraw/zinc/45/11/93/386451193.db2.gz WDLPEYJIGDZZER-UHFFFAOYSA-N 0 3 248.301 3.245 20 0 BGADHN Cc1nc(CNC2(C(C)C)CC2)c(C)s1 ZINC000339519832 385014089 /nfs/dbraw/zinc/01/40/89/385014089.db2.gz UDLAWFQJAZDSSA-UHFFFAOYSA-N 0 3 224.373 3.038 20 0 BGADHN Cc1nc(C(C)C)oc1CNC1(C(C)C)CC1 ZINC000339520578 386465178 /nfs/dbraw/zinc/46/51/78/386465178.db2.gz CCHLPZRQBVXJEJ-UHFFFAOYSA-N 0 3 236.359 3.385 20 0 BGADHN C[C@@H]1CC[C@@H](NCc2c(F)cc(F)cc2F)C1 ZINC000339521960 176213569 /nfs/dbraw/zinc/21/35/69/176213569.db2.gz FBXKOSWAWIQRTI-PSASIEDQSA-N 0 3 243.272 3.382 20 0 BGADHN C[C@@H]1CC[C@H](NCc2c(F)cc(F)cc2F)C1 ZINC000339521962 176233727 /nfs/dbraw/zinc/23/37/27/176233727.db2.gz FBXKOSWAWIQRTI-SCZZXKLOSA-N 0 3 243.272 3.382 20 0 BGADHN C[C@H]1CC[C@@H](NCc2c(F)cc(F)cc2F)C1 ZINC000339521964 177193096 /nfs/dbraw/zinc/19/30/96/177193096.db2.gz FBXKOSWAWIQRTI-WCBMZHEXSA-N 0 3 243.272 3.382 20 0 BGADHN C[C@H]1CC[C@H](NCc2c(F)cc(F)cc2F)C1 ZINC000339521966 177205392 /nfs/dbraw/zinc/20/53/92/177205392.db2.gz FBXKOSWAWIQRTI-WPRPVWTQSA-N 0 3 243.272 3.382 20 0 BGADHN CC[C@@H](C)CNCc1c(F)cc(F)cc1F ZINC000339523836 388485558 /nfs/dbraw/zinc/48/55/58/388485558.db2.gz XKZXIGJFMFWFHJ-MRVPVSSYSA-N 0 3 231.261 3.240 20 0 BGADHN CC[C@H](C)CNCc1c(F)cc(F)cc1F ZINC000339523837 171285684 /nfs/dbraw/zinc/28/56/84/171285684.db2.gz XKZXIGJFMFWFHJ-QMMMGPOBSA-N 0 3 231.261 3.240 20 0 BGADHN C[C@@H]1CCC[C@H]1NCc1c(F)cc(F)cc1F ZINC000339524465 176150956 /nfs/dbraw/zinc/15/09/56/176150956.db2.gz SYVPPXRPNFHNAW-AMIZOPFISA-N 0 3 243.272 3.382 20 0 BGADHN C[C@H]1CCC[C@H]1NCc1c(F)cc(F)cc1F ZINC000339524466 177142346 /nfs/dbraw/zinc/14/23/46/177142346.db2.gz SYVPPXRPNFHNAW-ISVAXAHUSA-N 0 3 243.272 3.382 20 0 BGADHN C[C@@H]1CCC[C@@H]1NCc1c(F)cc(F)cc1F ZINC000339524467 176132051 /nfs/dbraw/zinc/13/20/51/176132051.db2.gz SYVPPXRPNFHNAW-OQPBUACISA-N 0 3 243.272 3.382 20 0 BGADHN C[C@H]1CCC[C@@H]1NCc1c(F)cc(F)cc1F ZINC000339524468 177126745 /nfs/dbraw/zinc/12/67/45/177126745.db2.gz SYVPPXRPNFHNAW-SDBXPKJASA-N 0 3 243.272 3.382 20 0 BGADHN CC[C@@H](NCc1ccsc1Cl)C(C)(C)O ZINC000339545398 365467749 /nfs/dbraw/zinc/46/77/49/365467749.db2.gz YMHATNXPPVIJKQ-SECBINFHSA-N 0 3 247.791 3.041 20 0 BGADHN CC[C@H](NCc1ccsc1Cl)C(C)(C)O ZINC000339545401 388485628 /nfs/dbraw/zinc/48/56/28/388485628.db2.gz YMHATNXPPVIJKQ-VIFPVBQESA-N 0 3 247.791 3.041 20 0 BGADHN C[C@H](c1ccccc1F)N1C[C@@H](C)[C@H]1C ZINC000339560609 176318342 /nfs/dbraw/zinc/31/83/42/176318342.db2.gz BDYBERFNLHTABA-GMTAPVOTSA-N 0 3 207.292 3.227 20 0 BGADHN C[C@@H](c1ccccc1F)N1C[C@@H](C)[C@H]1C ZINC000339560612 176024520 /nfs/dbraw/zinc/02/45/20/176024520.db2.gz BDYBERFNLHTABA-MXWKQRLJSA-N 0 3 207.292 3.227 20 0 BGADHN C[C@H](c1ccccc1F)N1C[C@@H](C)[C@@H]1C ZINC000339560613 386476049 /nfs/dbraw/zinc/47/60/49/386476049.db2.gz BDYBERFNLHTABA-OUAUKWLOSA-N 0 3 207.292 3.227 20 0 BGADHN C[C@@H](c1ccccc1F)N1C[C@@H](C)[C@@H]1C ZINC000339560614 176025701 /nfs/dbraw/zinc/02/57/01/176025701.db2.gz BDYBERFNLHTABA-VWYCJHECSA-N 0 3 207.292 3.227 20 0 BGADHN COc1cccc([C@H](C)N2C[C@H](C)[C@@H]2C)c1 ZINC000339561324 175292521 /nfs/dbraw/zinc/29/25/21/175292521.db2.gz ILFJVLUUFXGJGW-SRVKXCTJSA-N 0 3 219.328 3.096 20 0 BGADHN COc1cccc([C@H](C)N2C[C@H](C)[C@H]2C)c1 ZINC000339561325 175292385 /nfs/dbraw/zinc/29/23/85/175292385.db2.gz ILFJVLUUFXGJGW-TUAOUCFPSA-N 0 3 219.328 3.096 20 0 BGADHN COc1cccc([C@H](C)N2C[C@@H](C)[C@H]2C)c1 ZINC000339561326 175292159 /nfs/dbraw/zinc/29/21/59/175292159.db2.gz ILFJVLUUFXGJGW-UTUOFQBUSA-N 0 3 219.328 3.096 20 0 BGADHN COc1cccc([C@H](C)N2C[C@@H](C)[C@@H]2C)c1 ZINC000339561327 175292150 /nfs/dbraw/zinc/29/21/50/175292150.db2.gz ILFJVLUUFXGJGW-WOPDTQHZSA-N 0 3 219.328 3.096 20 0 BGADHN CC(C)Oc1ccccc1CN1C[C@@H](C)[C@H]1C ZINC000339561627 167309539 /nfs/dbraw/zinc/30/95/39/167309539.db2.gz CFKSGKBZLIBQEK-CHWSQXEVSA-N 0 3 233.355 3.314 20 0 BGADHN CC(C)Oc1ccccc1CN1C[C@@H](C)[C@@H]1C ZINC000339561629 167310214 /nfs/dbraw/zinc/31/02/14/167310214.db2.gz CFKSGKBZLIBQEK-OLZOCXBDSA-N 0 3 233.355 3.314 20 0 BGADHN CC(C)Oc1ccccc1CN1C[C@H](C)[C@H]1C ZINC000339561630 167309733 /nfs/dbraw/zinc/30/97/33/167309733.db2.gz CFKSGKBZLIBQEK-QWHCGFSZSA-N 0 3 233.355 3.314 20 0 BGADHN CC(C)Oc1ccccc1CN1C[C@H](C)[C@@H]1C ZINC000339561632 167310490 /nfs/dbraw/zinc/31/04/90/167310490.db2.gz CFKSGKBZLIBQEK-STQMWFEESA-N 0 3 233.355 3.314 20 0 BGADHN CCc1nocc1CNCCC(C)(C)C1CC1 ZINC000339562078 172097120 /nfs/dbraw/zinc/09/71/20/172097120.db2.gz GRGGISYGSJFZRK-UHFFFAOYSA-N 0 3 236.359 3.153 20 0 BGADHN Cc1cc(CN2C[C@@H](C)[C@H]2C)c(C)s1 ZINC000339563280 178006211 /nfs/dbraw/zinc/00/62/11/178006211.db2.gz IIMUMBWHXMJQKQ-PSASIEDQSA-N 0 3 209.358 3.205 20 0 BGADHN Cc1cc(CN2C[C@@H](C)[C@@H]2C)c(C)s1 ZINC000339563281 178005833 /nfs/dbraw/zinc/00/58/33/178005833.db2.gz IIMUMBWHXMJQKQ-SCZZXKLOSA-N 0 3 209.358 3.205 20 0 BGADHN Cc1cc(CN2C[C@H](C)[C@H]2C)c(C)s1 ZINC000339563282 178007642 /nfs/dbraw/zinc/00/76/42/178007642.db2.gz IIMUMBWHXMJQKQ-WCBMZHEXSA-N 0 3 209.358 3.205 20 0 BGADHN Cc1cc(CN2C[C@H](C)[C@@H]2C)c(C)s1 ZINC000339563283 178007463 /nfs/dbraw/zinc/00/74/63/178007463.db2.gz IIMUMBWHXMJQKQ-WPRPVWTQSA-N 0 3 209.358 3.205 20 0 BGADHN C[C@@H]1CN(CCSc2ccccc2)[C@H]1C ZINC000339563398 386478028 /nfs/dbraw/zinc/47/80/28/386478028.db2.gz LMLJZTWQGUJGSS-NEPJUHHUSA-N 0 3 221.369 3.119 20 0 BGADHN C[C@@H]1[C@@H](C)CN1CCSc1ccccc1 ZINC000339563399 177254979 /nfs/dbraw/zinc/25/49/79/177254979.db2.gz LMLJZTWQGUJGSS-NWDGAFQWSA-N 0 3 221.369 3.119 20 0 BGADHN C[C@H]1CN(CCSc2ccccc2)[C@H]1C ZINC000339563400 177253948 /nfs/dbraw/zinc/25/39/48/177253948.db2.gz LMLJZTWQGUJGSS-RYUDHWBXSA-N 0 3 221.369 3.119 20 0 BGADHN C[C@@H]1CN(CCSc2ccccc2)[C@@H]1C ZINC000339563401 176292848 /nfs/dbraw/zinc/29/28/48/176292848.db2.gz LMLJZTWQGUJGSS-VXGBXAGGSA-N 0 3 221.369 3.119 20 0 BGADHN C[C@H](c1ccc(F)cc1)N1C[C@@H](C)[C@H]1C ZINC000339565881 176316245 /nfs/dbraw/zinc/31/62/45/176316245.db2.gz WLQLOTYEGAAIKW-GMTAPVOTSA-N 0 3 207.292 3.227 20 0 BGADHN C[C@@H](c1ccc(F)cc1)N1C[C@@H](C)[C@H]1C ZINC000339565882 176015525 /nfs/dbraw/zinc/01/55/25/176015525.db2.gz WLQLOTYEGAAIKW-MXWKQRLJSA-N 0 3 207.292 3.227 20 0 BGADHN C[C@H](c1ccc(F)cc1)N1C[C@@H](C)[C@@H]1C ZINC000339565883 386477932 /nfs/dbraw/zinc/47/79/32/386477932.db2.gz WLQLOTYEGAAIKW-OUAUKWLOSA-N 0 3 207.292 3.227 20 0 BGADHN C[C@@H](c1ccc(F)cc1)N1C[C@@H](C)[C@@H]1C ZINC000339565884 176015802 /nfs/dbraw/zinc/01/58/02/176015802.db2.gz WLQLOTYEGAAIKW-VWYCJHECSA-N 0 3 207.292 3.227 20 0 BGADHN C[C@H](c1cccc(F)c1)N1C[C@@H](C)[C@H]1C ZINC000339568256 176316783 /nfs/dbraw/zinc/31/67/83/176316783.db2.gz OEOMHNGVAQBACQ-GMTAPVOTSA-N 0 3 207.292 3.227 20 0 BGADHN C[C@@H](c1cccc(F)c1)N1C[C@@H](C)[C@H]1C ZINC000339568257 176018411 /nfs/dbraw/zinc/01/84/11/176018411.db2.gz OEOMHNGVAQBACQ-MXWKQRLJSA-N 0 3 207.292 3.227 20 0 BGADHN C[C@H](c1cccc(F)c1)N1C[C@@H](C)[C@@H]1C ZINC000339568258 386466622 /nfs/dbraw/zinc/46/66/22/386466622.db2.gz OEOMHNGVAQBACQ-OUAUKWLOSA-N 0 3 207.292 3.227 20 0 BGADHN C[C@@H](c1cccc(F)c1)N1C[C@@H](C)[C@@H]1C ZINC000339568259 176018084 /nfs/dbraw/zinc/01/80/84/176018084.db2.gz OEOMHNGVAQBACQ-VWYCJHECSA-N 0 3 207.292 3.227 20 0 BGADHN C[C@@H]1CN([C@H]2CCc3ccc(F)cc32)[C@H]1C ZINC000339568348 386468304 /nfs/dbraw/zinc/46/83/04/386468304.db2.gz KOPOMJQTNGRMJJ-BFVZDQMLSA-N 0 3 219.303 3.153 20 0 BGADHN C[C@@H]1CN([C@@H]2CCc3ccc(F)cc32)[C@@H]1C ZINC000339568350 176315038 /nfs/dbraw/zinc/31/50/38/176315038.db2.gz KOPOMJQTNGRMJJ-GPCCPHFNSA-N 0 3 219.303 3.153 20 0 BGADHN C[C@@H]1CN([C@@H]2CCc3ccc(F)cc32)[C@H]1C ZINC000339568353 386468461 /nfs/dbraw/zinc/46/84/61/386468461.db2.gz KOPOMJQTNGRMJJ-ISTVAULSSA-N 0 3 219.303 3.153 20 0 BGADHN C[C@@H]1CN([C@H]2CCc3ccc(F)cc32)[C@@H]1C ZINC000339568355 176317960 /nfs/dbraw/zinc/31/79/60/176317960.db2.gz KOPOMJQTNGRMJJ-RULNRJAQSA-N 0 3 219.303 3.153 20 0 BGADHN C[C@@H]1CN(Cc2cccc(OC(F)F)c2)[C@@H]1C ZINC000339569198 176306141 /nfs/dbraw/zinc/30/61/41/176306141.db2.gz RKLQYXNBRVMAMF-NXEZZACHSA-N 0 3 241.281 3.128 20 0 BGADHN C[C@H]1CN(Cc2cccc(OC(F)F)c2)[C@H]1C ZINC000339569199 177264811 /nfs/dbraw/zinc/26/48/11/177264811.db2.gz RKLQYXNBRVMAMF-UWVGGRQHSA-N 0 3 241.281 3.128 20 0 BGADHN C[C@@H]1[C@@H](C)CN1Cc1cccc(OC(F)F)c1 ZINC000339569200 177265354 /nfs/dbraw/zinc/26/53/54/177265354.db2.gz RKLQYXNBRVMAMF-VHSXEESVSA-N 0 3 241.281 3.128 20 0 BGADHN C[C@@H]1CN(Cc2cccc(OC(F)F)c2)[C@H]1C ZINC000339569201 386467434 /nfs/dbraw/zinc/46/74/34/386467434.db2.gz RKLQYXNBRVMAMF-ZJUUUORDSA-N 0 3 241.281 3.128 20 0 BGADHN C[C@@H]1CN(CCSCc2ccccc2)[C@@H]1C ZINC000339570147 176292294 /nfs/dbraw/zinc/29/22/94/176292294.db2.gz VSPUJEWYBHMPOR-CHWSQXEVSA-N 0 3 235.396 3.260 20 0 BGADHN C[C@@H]1CN(CCSCc2ccccc2)[C@H]1C ZINC000339570151 386469182 /nfs/dbraw/zinc/46/91/82/386469182.db2.gz VSPUJEWYBHMPOR-OLZOCXBDSA-N 0 3 235.396 3.260 20 0 BGADHN C[C@@H]1[C@@H](C)CN1CCSCc1ccccc1 ZINC000339570155 177252710 /nfs/dbraw/zinc/25/27/10/177252710.db2.gz VSPUJEWYBHMPOR-QWHCGFSZSA-N 0 3 235.396 3.260 20 0 BGADHN C[C@H]1CN(CCSCc2ccccc2)[C@H]1C ZINC000339570160 177252257 /nfs/dbraw/zinc/25/22/57/177252257.db2.gz VSPUJEWYBHMPOR-STQMWFEESA-N 0 3 235.396 3.260 20 0 BGADHN C[C@@H]1CN(Cc2ccc3c(c2)CCC3)[C@H]1C ZINC000339570216 386470774 /nfs/dbraw/zinc/47/07/74/386470774.db2.gz WFHSYFUOOUGIDM-NEPJUHHUSA-N 0 3 215.340 3.016 20 0 BGADHN C[C@@H]1[C@@H](C)CN1Cc1ccc2c(c1)CCC2 ZINC000339570220 177263822 /nfs/dbraw/zinc/26/38/22/177263822.db2.gz WFHSYFUOOUGIDM-NWDGAFQWSA-N 0 3 215.340 3.016 20 0 BGADHN C[C@H]1CN(Cc2ccc3c(c2)CCC3)[C@H]1C ZINC000339570222 177263390 /nfs/dbraw/zinc/26/33/90/177263390.db2.gz WFHSYFUOOUGIDM-RYUDHWBXSA-N 0 3 215.340 3.016 20 0 BGADHN C[C@@H]1CN(Cc2ccc3c(c2)CCC3)[C@@H]1C ZINC000339570223 176304840 /nfs/dbraw/zinc/30/48/40/176304840.db2.gz WFHSYFUOOUGIDM-VXGBXAGGSA-N 0 3 215.340 3.016 20 0 BGADHN C[C@@H]1CN(CCCCC(F)(F)F)[C@H]1C ZINC000339572433 187329613 /nfs/dbraw/zinc/32/96/13/187329613.db2.gz VPQBZAXBOZYTBD-BDAKNGLRSA-N 0 3 209.255 3.059 20 0 BGADHN C[C@@H]1[C@@H](C)CN1CCCCC(F)(F)F ZINC000339572435 177247763 /nfs/dbraw/zinc/24/77/63/177247763.db2.gz VPQBZAXBOZYTBD-DTWKUNHWSA-N 0 3 209.255 3.059 20 0 BGADHN C[C@H]1CN(CCCCC(F)(F)F)[C@H]1C ZINC000339572436 177248578 /nfs/dbraw/zinc/24/85/78/177248578.db2.gz VPQBZAXBOZYTBD-IUCAKERBSA-N 0 3 209.255 3.059 20 0 BGADHN C[C@@H]1CN(CCCCC(F)(F)F)[C@@H]1C ZINC000339572438 176288477 /nfs/dbraw/zinc/28/84/77/176288477.db2.gz VPQBZAXBOZYTBD-RKDXNWHRSA-N 0 3 209.255 3.059 20 0 BGADHN Cc1csc(CNC[C@H]2CCCC2(C)C)n1 ZINC000339573831 385016573 /nfs/dbraw/zinc/01/65/73/385016573.db2.gz FTFGHRUHQJMHRQ-LLVKDONJSA-N 0 3 238.400 3.367 20 0 BGADHN Cc1csc(CNC[C@@H]2CCCC2(C)C)n1 ZINC000339573832 385017134 /nfs/dbraw/zinc/01/71/34/385017134.db2.gz FTFGHRUHQJMHRQ-NSHDSACASA-N 0 3 238.400 3.367 20 0 BGADHN Cc1ccc([O-])c(C[NH2+]C[C@H]2CCCC2(C)C)n1 ZINC000339574374 385017939 /nfs/dbraw/zinc/01/79/39/385017939.db2.gz IYTUVLRRBPDTJC-GFCCVEGCSA-N 0 3 248.370 3.012 20 0 BGADHN Cc1ccc([O-])c(C[NH2+]C[C@@H]2CCCC2(C)C)n1 ZINC000339574375 385017452 /nfs/dbraw/zinc/01/74/52/385017452.db2.gz IYTUVLRRBPDTJC-LBPRGKRZSA-N 0 3 248.370 3.012 20 0 BGADHN C[C@@H]1CN(Cc2cc3ccccc3o2)[C@@H]1C ZINC000339574729 176302825 /nfs/dbraw/zinc/30/28/25/176302825.db2.gz RJWZEONHFRQJSW-GHMZBOCLSA-N 0 3 215.296 3.273 20 0 BGADHN C[C@@H]1CN(Cc2cc3ccccc3o2)[C@H]1C ZINC000339574731 386472118 /nfs/dbraw/zinc/47/21/18/386472118.db2.gz RJWZEONHFRQJSW-MNOVXSKESA-N 0 3 215.296 3.273 20 0 BGADHN C[C@H]1CN(Cc2cc3ccccc3o2)[C@H]1C ZINC000339574733 177260703 /nfs/dbraw/zinc/26/07/03/177260703.db2.gz RJWZEONHFRQJSW-QWRGUYRKSA-N 0 3 215.296 3.273 20 0 BGADHN C[C@@H]1[C@@H](C)CN1Cc1cc2ccccc2o1 ZINC000339574735 177260503 /nfs/dbraw/zinc/26/05/03/177260503.db2.gz RJWZEONHFRQJSW-WDEREUQCSA-N 0 3 215.296 3.273 20 0 BGADHN Cc1nc(CNC[C@H]2CCCC2(C)C)cs1 ZINC000339575515 385024214 /nfs/dbraw/zinc/02/42/14/385024214.db2.gz SSFKBBROUXQCAE-LLVKDONJSA-N 0 3 238.400 3.367 20 0 BGADHN Cc1nc(CNC[C@@H]2CCCC2(C)C)cs1 ZINC000339575516 385025091 /nfs/dbraw/zinc/02/50/91/385025091.db2.gz SSFKBBROUXQCAE-NSHDSACASA-N 0 3 238.400 3.367 20 0 BGADHN C[C@@H]1CN(Cc2cc(F)cc3cccnc32)[C@@H]1C ZINC000339576253 176302337 /nfs/dbraw/zinc/30/23/37/176302337.db2.gz YEMACELHMKVKDG-GHMZBOCLSA-N 0 3 244.313 3.214 20 0 BGADHN C[C@@H]1CN(Cc2cc(F)cc3cccnc32)[C@H]1C ZINC000339576254 386474046 /nfs/dbraw/zinc/47/40/46/386474046.db2.gz YEMACELHMKVKDG-MNOVXSKESA-N 0 3 244.313 3.214 20 0 BGADHN C[C@H]1CN(Cc2cc(F)cc3cccnc32)[C@H]1C ZINC000339576255 177261268 /nfs/dbraw/zinc/26/12/68/177261268.db2.gz YEMACELHMKVKDG-QWRGUYRKSA-N 0 3 244.313 3.214 20 0 BGADHN C[C@@H]1[C@@H](C)CN1Cc1cc(F)cc2cccnc21 ZINC000339576256 177260143 /nfs/dbraw/zinc/26/01/43/177260143.db2.gz YEMACELHMKVKDG-WDEREUQCSA-N 0 3 244.313 3.214 20 0 BGADHN CC(C)Oc1cccc(CN2C[C@@H](C)[C@H]2C)c1 ZINC000339576259 167305790 /nfs/dbraw/zinc/30/57/90/167305790.db2.gz YGLIGAMGDFIDEX-CHWSQXEVSA-N 0 3 233.355 3.314 20 0 BGADHN CC(C)Oc1cccc(CN2C[C@@H](C)[C@@H]2C)c1 ZINC000339576260 167307311 /nfs/dbraw/zinc/30/73/11/167307311.db2.gz YGLIGAMGDFIDEX-OLZOCXBDSA-N 0 3 233.355 3.314 20 0 BGADHN CC(C)Oc1cccc(CN2C[C@H](C)[C@H]2C)c1 ZINC000339576261 167306145 /nfs/dbraw/zinc/30/61/45/167306145.db2.gz YGLIGAMGDFIDEX-QWHCGFSZSA-N 0 3 233.355 3.314 20 0 BGADHN CC(C)Oc1cccc(CN2C[C@H](C)[C@@H]2C)c1 ZINC000339576262 167306477 /nfs/dbraw/zinc/30/64/77/167306477.db2.gz YGLIGAMGDFIDEX-STQMWFEESA-N 0 3 233.355 3.314 20 0 BGADHN C[C@@H]1CN(CCCc2ccsc2)[C@@H]1C ZINC000339576885 176290082 /nfs/dbraw/zinc/29/00/82/176290082.db2.gz BAHQNKZGXWLDRF-GHMZBOCLSA-N 0 3 209.358 3.021 20 0 BGADHN C[C@@H]1CN(CCCc2ccsc2)[C@H]1C ZINC000339576896 386473386 /nfs/dbraw/zinc/47/33/86/386473386.db2.gz BAHQNKZGXWLDRF-MNOVXSKESA-N 0 3 209.358 3.021 20 0 BGADHN C[C@H]1CN(CCCc2ccsc2)[C@H]1C ZINC000339576897 177251152 /nfs/dbraw/zinc/25/11/52/177251152.db2.gz BAHQNKZGXWLDRF-QWRGUYRKSA-N 0 3 209.358 3.021 20 0 BGADHN C[C@@H]1[C@@H](C)CN1CCCc1ccsc1 ZINC000339576899 177251282 /nfs/dbraw/zinc/25/12/82/177251282.db2.gz BAHQNKZGXWLDRF-WDEREUQCSA-N 0 3 209.358 3.021 20 0 BGADHN CCc1nocc1CNC[C@H]1CCCC1(C)C ZINC000339577487 172100499 /nfs/dbraw/zinc/10/04/99/172100499.db2.gz ODSSUPXNHPPYCV-GFCCVEGCSA-N 0 3 236.359 3.153 20 0 BGADHN CCc1nocc1CNC[C@@H]1CCCC1(C)C ZINC000339577488 172100684 /nfs/dbraw/zinc/10/06/84/172100684.db2.gz ODSSUPXNHPPYCV-LBPRGKRZSA-N 0 3 236.359 3.153 20 0 BGADHN CSc1ccccc1CN1C[C@@H](C)[C@H]1C ZINC000339578546 386471751 /nfs/dbraw/zinc/47/17/51/386471751.db2.gz OQWJZRJNURDVAT-GHMZBOCLSA-N 0 3 221.369 3.249 20 0 BGADHN CSc1ccccc1CN1C[C@@H](C)[C@@H]1C ZINC000339578547 386473672 /nfs/dbraw/zinc/47/36/72/386473672.db2.gz OQWJZRJNURDVAT-MNOVXSKESA-N 0 3 221.369 3.249 20 0 BGADHN CSc1ccccc1CN1C[C@H](C)[C@@H]1C ZINC000339578548 386473992 /nfs/dbraw/zinc/47/39/92/386473992.db2.gz OQWJZRJNURDVAT-QWRGUYRKSA-N 0 3 221.369 3.249 20 0 BGADHN CSc1ccccc1CN1C[C@H](C)[C@H]1C ZINC000339578549 386472275 /nfs/dbraw/zinc/47/22/75/386472275.db2.gz OQWJZRJNURDVAT-WDEREUQCSA-N 0 3 221.369 3.249 20 0 BGADHN C[C@@H]1CN(Cc2cccc3c2OC(C)(C)C3)[C@H]1C ZINC000339580887 386485211 /nfs/dbraw/zinc/48/52/11/386485211.db2.gz JLTLBYJEMWCFRP-NEPJUHHUSA-N 0 3 245.366 3.240 20 0 BGADHN C[C@@H]1[C@@H](C)CN1Cc1cccc2c1OC(C)(C)C2 ZINC000339580888 177264839 /nfs/dbraw/zinc/26/48/39/177264839.db2.gz JLTLBYJEMWCFRP-NWDGAFQWSA-N 0 3 245.366 3.240 20 0 BGADHN C[C@H]1CN(Cc2cccc3c2OC(C)(C)C3)[C@H]1C ZINC000339580889 177265373 /nfs/dbraw/zinc/26/53/73/177265373.db2.gz JLTLBYJEMWCFRP-RYUDHWBXSA-N 0 3 245.366 3.240 20 0 BGADHN C[C@@H]1CN(Cc2cccc3c2OC(C)(C)C3)[C@@H]1C ZINC000339580890 176305817 /nfs/dbraw/zinc/30/58/17/176305817.db2.gz JLTLBYJEMWCFRP-VXGBXAGGSA-N 0 3 245.366 3.240 20 0 BGADHN Cc1ccc(F)cc1CN[C@@H]1CCC[C@H]1F ZINC000339581929 386486181 /nfs/dbraw/zinc/48/61/81/386486181.db2.gz FEGPCWAKOOGOLB-CHWSQXEVSA-N 0 3 225.282 3.114 20 0 BGADHN Cc1ccc(F)cc1CN[C@H]1CCC[C@H]1F ZINC000339581930 385019851 /nfs/dbraw/zinc/01/98/51/385019851.db2.gz FEGPCWAKOOGOLB-OLZOCXBDSA-N 0 3 225.282 3.114 20 0 BGADHN Cc1ccc(F)cc1CN[C@@H]1CCC[C@@H]1F ZINC000339581932 385019795 /nfs/dbraw/zinc/01/97/95/385019795.db2.gz FEGPCWAKOOGOLB-QWHCGFSZSA-N 0 3 225.282 3.114 20 0 BGADHN Cc1ccc(F)cc1CN[C@H]1CCC[C@@H]1F ZINC000339581933 178687806 /nfs/dbraw/zinc/68/78/06/178687806.db2.gz FEGPCWAKOOGOLB-STQMWFEESA-N 0 3 225.282 3.114 20 0 BGADHN F[C@@H]1CCC[C@@H]1NCc1cccc(Cl)c1 ZINC000339582600 388486548 /nfs/dbraw/zinc/48/65/48/388486548.db2.gz GRTHHYBXAUMNEM-NEPJUHHUSA-N 0 3 227.710 3.320 20 0 BGADHN F[C@H]1CCC[C@H]1NCc1cccc(Cl)c1 ZINC000339582603 388486340 /nfs/dbraw/zinc/48/63/40/388486340.db2.gz GRTHHYBXAUMNEM-NWDGAFQWSA-N 0 3 227.710 3.320 20 0 BGADHN F[C@H]1CCC[C@@H]1NCc1cccc(Cl)c1 ZINC000339582606 566373777 /nfs/dbraw/zinc/37/37/77/566373777.db2.gz GRTHHYBXAUMNEM-RYUDHWBXSA-N 0 3 227.710 3.320 20 0 BGADHN F[C@@H]1CCC[C@H]1NCc1cccc(Cl)c1 ZINC000339582609 180941136 /nfs/dbraw/zinc/94/11/36/180941136.db2.gz GRTHHYBXAUMNEM-VXGBXAGGSA-N 0 3 227.710 3.320 20 0 BGADHN F[C@@H]1CCC[C@@H]1NCc1ccc(Cl)cc1 ZINC000339583245 388486791 /nfs/dbraw/zinc/48/67/91/388486791.db2.gz HSYZUKUMBJLNDC-NEPJUHHUSA-N 0 3 227.710 3.320 20 0 BGADHN F[C@H]1CCC[C@H]1NCc1ccc(Cl)cc1 ZINC000339583246 388486143 /nfs/dbraw/zinc/48/61/43/388486143.db2.gz HSYZUKUMBJLNDC-NWDGAFQWSA-N 0 3 227.710 3.320 20 0 BGADHN F[C@H]1CCC[C@@H]1NCc1ccc(Cl)cc1 ZINC000339583247 487471094 /nfs/dbraw/zinc/47/10/94/487471094.db2.gz HSYZUKUMBJLNDC-RYUDHWBXSA-N 0 3 227.710 3.320 20 0 BGADHN F[C@@H]1CCC[C@H]1NCc1ccc(Cl)cc1 ZINC000339583248 487471130 /nfs/dbraw/zinc/47/11/30/487471130.db2.gz HSYZUKUMBJLNDC-VXGBXAGGSA-N 0 3 227.710 3.320 20 0 BGADHN CSc1ccc(CN[C@@H]2CCC[C@H]2F)cc1 ZINC000339584520 386489537 /nfs/dbraw/zinc/48/95/37/386489537.db2.gz NCMLDPVJTDEKCR-CHWSQXEVSA-N 0 3 239.359 3.389 20 0 BGADHN CSc1ccc(CN[C@H]2CCC[C@H]2F)cc1 ZINC000339584521 385022367 /nfs/dbraw/zinc/02/23/67/385022367.db2.gz NCMLDPVJTDEKCR-OLZOCXBDSA-N 0 3 239.359 3.389 20 0 BGADHN CSc1ccc(CN[C@@H]2CCC[C@@H]2F)cc1 ZINC000339584522 385020356 /nfs/dbraw/zinc/02/03/56/385020356.db2.gz NCMLDPVJTDEKCR-QWHCGFSZSA-N 0 3 239.359 3.389 20 0 BGADHN CSc1ccc(CN[C@H]2CCC[C@@H]2F)cc1 ZINC000339584523 188369129 /nfs/dbraw/zinc/36/91/29/188369129.db2.gz NCMLDPVJTDEKCR-STQMWFEESA-N 0 3 239.359 3.389 20 0 BGADHN CCOc1cccc(CN[C@H]2CCC[C@@H]2F)c1 ZINC000339584798 386487087 /nfs/dbraw/zinc/48/70/87/386487087.db2.gz POEMAAMMDWGNBT-KBPBESRZSA-N 0 3 237.318 3.066 20 0 BGADHN CCOc1cccc(CN[C@H]2CCC[C@H]2F)c1 ZINC000339584799 386489388 /nfs/dbraw/zinc/48/93/88/386489388.db2.gz POEMAAMMDWGNBT-KGLIPLIRSA-N 0 3 237.318 3.066 20 0 BGADHN CCOc1cccc(CN[C@@H]2CCC[C@@H]2F)c1 ZINC000339584800 386488205 /nfs/dbraw/zinc/48/82/05/386488205.db2.gz POEMAAMMDWGNBT-UONOGXRCSA-N 0 3 237.318 3.066 20 0 BGADHN CCOc1cccc(CN[C@@H]2CCC[C@H]2F)c1 ZINC000339584801 386487613 /nfs/dbraw/zinc/48/76/13/386487613.db2.gz POEMAAMMDWGNBT-ZIAGYGMSSA-N 0 3 237.318 3.066 20 0 BGADHN COc1ccccc1/C=C\CN[C@@H]1CCC[C@@H]1F ZINC000339584818 175315897 /nfs/dbraw/zinc/31/58/97/175315897.db2.gz QCMHHYGVZCNBQS-BPIHMUFXSA-N 0 3 249.329 3.189 20 0 BGADHN COc1ccccc1/C=C/CN[C@@H]1CCC[C@@H]1F ZINC000339584819 175314975 /nfs/dbraw/zinc/31/49/75/175314975.db2.gz QCMHHYGVZCNBQS-CXSYMGSUSA-N 0 3 249.329 3.189 20 0 BGADHN COc1ccccc1/C=C\CN[C@@H]1CCC[C@H]1F ZINC000339584820 175315914 /nfs/dbraw/zinc/31/59/14/175315914.db2.gz QCMHHYGVZCNBQS-KMVAXQJASA-N 0 3 249.329 3.189 20 0 BGADHN COc1ccccc1/C=C/CN[C@@H]1CCC[C@H]1F ZINC000339584821 175314880 /nfs/dbraw/zinc/31/48/80/175314880.db2.gz QCMHHYGVZCNBQS-VTGPQGOBSA-N 0 3 249.329 3.189 20 0 BGADHN Cc1cccc(CN[C@H]2CCC[C@@H]2F)c1C ZINC000339584985 179101312 /nfs/dbraw/zinc/10/13/12/179101312.db2.gz RDEMLJBOKAOVJQ-KBPBESRZSA-N 0 3 221.319 3.284 20 0 BGADHN Cc1cccc(CN[C@H]2CCC[C@H]2F)c1C ZINC000339584986 179101637 /nfs/dbraw/zinc/10/16/37/179101637.db2.gz RDEMLJBOKAOVJQ-KGLIPLIRSA-N 0 3 221.319 3.284 20 0 BGADHN Cc1cccc(CN[C@@H]2CCC[C@@H]2F)c1C ZINC000339584987 179097908 /nfs/dbraw/zinc/09/79/08/179097908.db2.gz RDEMLJBOKAOVJQ-UONOGXRCSA-N 0 3 221.319 3.284 20 0 BGADHN Cc1cccc(CN[C@@H]2CCC[C@H]2F)c1C ZINC000339584988 179097133 /nfs/dbraw/zinc/09/71/33/179097133.db2.gz RDEMLJBOKAOVJQ-ZIAGYGMSSA-N 0 3 221.319 3.284 20 0 BGADHN F[C@@H]1CCC[C@H]1NCc1ccc2occc2c1 ZINC000339585016 386487717 /nfs/dbraw/zinc/48/77/17/386487717.db2.gz RMZPLFJNRCAZEV-CHWSQXEVSA-N 0 3 233.286 3.413 20 0 BGADHN F[C@@H]1CCC[C@@H]1NCc1ccc2occc2c1 ZINC000339585017 386488703 /nfs/dbraw/zinc/48/87/03/386488703.db2.gz RMZPLFJNRCAZEV-OLZOCXBDSA-N 0 3 233.286 3.413 20 0 BGADHN F[C@H]1CCC[C@H]1NCc1ccc2occc2c1 ZINC000339585018 386488344 /nfs/dbraw/zinc/48/83/44/386488344.db2.gz RMZPLFJNRCAZEV-QWHCGFSZSA-N 0 3 233.286 3.413 20 0 BGADHN F[C@H]1CCC[C@@H]1NCc1ccc2occc2c1 ZINC000339585019 386489225 /nfs/dbraw/zinc/48/92/25/386489225.db2.gz RMZPLFJNRCAZEV-STQMWFEESA-N 0 3 233.286 3.413 20 0 BGADHN CSc1ccc(CN[C@@H]2CCC[C@H]2F)s1 ZINC000339585454 386487529 /nfs/dbraw/zinc/48/75/29/386487529.db2.gz WEGUHDJSEQAZGP-NXEZZACHSA-N 0 3 245.388 3.450 20 0 BGADHN CSc1ccc(CN[C@H]2CCC[C@@H]2F)s1 ZINC000339585455 386489247 /nfs/dbraw/zinc/48/92/47/386489247.db2.gz WEGUHDJSEQAZGP-UWVGGRQHSA-N 0 3 245.388 3.450 20 0 BGADHN CSc1ccc(CN[C@@H]2CCC[C@@H]2F)s1 ZINC000339585456 385021754 /nfs/dbraw/zinc/02/17/54/385021754.db2.gz WEGUHDJSEQAZGP-VHSXEESVSA-N 0 3 245.388 3.450 20 0 BGADHN CSc1ccc(CN[C@H]2CCC[C@H]2F)s1 ZINC000339585457 385021044 /nfs/dbraw/zinc/02/10/44/385021044.db2.gz WEGUHDJSEQAZGP-ZJUUUORDSA-N 0 3 245.388 3.450 20 0 BGADHN Cc1cccc(C)c1CN[C@H]1CCC[C@@H]1F ZINC000339585482 179039428 /nfs/dbraw/zinc/03/94/28/179039428.db2.gz WNCHLSXQGDVZPV-KBPBESRZSA-N 0 3 221.319 3.284 20 0 BGADHN Cc1cccc(C)c1CN[C@H]1CCC[C@H]1F ZINC000339585483 179039272 /nfs/dbraw/zinc/03/92/72/179039272.db2.gz WNCHLSXQGDVZPV-KGLIPLIRSA-N 0 3 221.319 3.284 20 0 BGADHN Cc1cccc(C)c1CN[C@@H]1CCC[C@@H]1F ZINC000339585484 179036932 /nfs/dbraw/zinc/03/69/32/179036932.db2.gz WNCHLSXQGDVZPV-UONOGXRCSA-N 0 3 221.319 3.284 20 0 BGADHN Cc1cccc(C)c1CN[C@@H]1CCC[C@H]1F ZINC000339585485 179036844 /nfs/dbraw/zinc/03/68/44/179036844.db2.gz WNCHLSXQGDVZPV-ZIAGYGMSSA-N 0 3 221.319 3.284 20 0 BGADHN Cc1ccc(CN[C@H]2CCC[C@@H]2F)cc1F ZINC000339586344 386487602 /nfs/dbraw/zinc/48/76/02/386487602.db2.gz IQQHXNRKKOWROQ-AAEUAGOBSA-N 0 3 225.282 3.114 20 0 BGADHN Cc1ccc(CN[C@@H]2CCC[C@H]2F)cc1F ZINC000339586345 386489614 /nfs/dbraw/zinc/48/96/14/386489614.db2.gz IQQHXNRKKOWROQ-DGCLKSJQSA-N 0 3 225.282 3.114 20 0 BGADHN Cc1ccc(CN[C@@H]2CCC[C@@H]2F)cc1F ZINC000339586346 388486707 /nfs/dbraw/zinc/48/67/07/388486707.db2.gz IQQHXNRKKOWROQ-WCQYABFASA-N 0 3 225.282 3.114 20 0 BGADHN Cc1ccc(CN[C@H]2CCC[C@H]2F)cc1F ZINC000339586347 388486560 /nfs/dbraw/zinc/48/65/60/388486560.db2.gz IQQHXNRKKOWROQ-YPMHNXCESA-N 0 3 225.282 3.114 20 0 BGADHN Cc1cc(CN[C@@H]2CCC[C@H]2F)ccc1F ZINC000339586537 178032455 /nfs/dbraw/zinc/03/24/55/178032455.db2.gz KAKHQIAUDFTHIT-CHWSQXEVSA-N 0 3 225.282 3.114 20 0 BGADHN Cc1cc(CN[C@H]2CCC[C@H]2F)ccc1F ZINC000339586538 178039778 /nfs/dbraw/zinc/03/97/78/178039778.db2.gz KAKHQIAUDFTHIT-OLZOCXBDSA-N 0 3 225.282 3.114 20 0 BGADHN Cc1cc(CN[C@@H]2CCC[C@@H]2F)ccc1F ZINC000339586539 178033030 /nfs/dbraw/zinc/03/30/30/178033030.db2.gz KAKHQIAUDFTHIT-QWHCGFSZSA-N 0 3 225.282 3.114 20 0 BGADHN Cc1cc(CN[C@H]2CCC[C@@H]2F)ccc1F ZINC000339586540 178039819 /nfs/dbraw/zinc/03/98/19/178039819.db2.gz KAKHQIAUDFTHIT-STQMWFEESA-N 0 3 225.282 3.114 20 0 BGADHN Cc1ccnc(CN(CC(C)C)C2CCCC2)n1 ZINC000339587094 188368231 /nfs/dbraw/zinc/36/82/31/188368231.db2.gz LUSDLILGBAEAAG-UHFFFAOYSA-N 0 3 247.386 3.186 20 0 BGADHN Cc1cc(F)ccc1CN[C@@H]1CCC[C@H]1F ZINC000339587236 178086681 /nfs/dbraw/zinc/08/66/81/178086681.db2.gz ODWNHCDYTPNUHB-CHWSQXEVSA-N 0 3 225.282 3.114 20 0 BGADHN Cc1cc(F)ccc1CN[C@H]1CCC[C@H]1F ZINC000339587237 178087149 /nfs/dbraw/zinc/08/71/49/178087149.db2.gz ODWNHCDYTPNUHB-OLZOCXBDSA-N 0 3 225.282 3.114 20 0 BGADHN Cc1cc(F)ccc1CN[C@@H]1CCC[C@@H]1F ZINC000339587238 178087157 /nfs/dbraw/zinc/08/71/57/178087157.db2.gz ODWNHCDYTPNUHB-QWHCGFSZSA-N 0 3 225.282 3.114 20 0 BGADHN Cc1cc(F)ccc1CN[C@H]1CCC[C@@H]1F ZINC000339587239 178087658 /nfs/dbraw/zinc/08/76/58/178087658.db2.gz ODWNHCDYTPNUHB-STQMWFEESA-N 0 3 225.282 3.114 20 0 BGADHN CCOc1ccc(CN[C@H]2CCC[C@@H]2F)cc1 ZINC000339588062 386480658 /nfs/dbraw/zinc/48/06/58/386480658.db2.gz VFKGAVXNNSJHAW-KBPBESRZSA-N 0 3 237.318 3.066 20 0 BGADHN CCOc1ccc(CN[C@H]2CCC[C@H]2F)cc1 ZINC000339588063 386480232 /nfs/dbraw/zinc/48/02/32/386480232.db2.gz VFKGAVXNNSJHAW-KGLIPLIRSA-N 0 3 237.318 3.066 20 0 BGADHN CCOc1ccc(CN[C@@H]2CCC[C@@H]2F)cc1 ZINC000339588064 386480822 /nfs/dbraw/zinc/48/08/22/386480822.db2.gz VFKGAVXNNSJHAW-UONOGXRCSA-N 0 3 237.318 3.066 20 0 BGADHN CCOc1ccc(CN[C@@H]2CCC[C@H]2F)cc1 ZINC000339588065 386480357 /nfs/dbraw/zinc/48/03/57/386480357.db2.gz VFKGAVXNNSJHAW-ZIAGYGMSSA-N 0 3 237.318 3.066 20 0 BGADHN F[C@@H]1CCC[C@H]1NCc1coc2ccccc12 ZINC000339588437 386480153 /nfs/dbraw/zinc/48/01/53/386480153.db2.gz XWSXOXWYDMEMAD-CHWSQXEVSA-N 0 3 233.286 3.413 20 0 BGADHN F[C@@H]1CCC[C@@H]1NCc1coc2ccccc12 ZINC000339588438 386480554 /nfs/dbraw/zinc/48/05/54/386480554.db2.gz XWSXOXWYDMEMAD-OLZOCXBDSA-N 0 3 233.286 3.413 20 0 BGADHN F[C@H]1CCC[C@H]1NCc1coc2ccccc12 ZINC000339588439 386480384 /nfs/dbraw/zinc/48/03/84/386480384.db2.gz XWSXOXWYDMEMAD-QWHCGFSZSA-N 0 3 233.286 3.413 20 0 BGADHN F[C@H]1CCC[C@@H]1NCc1coc2ccccc12 ZINC000339588440 386480047 /nfs/dbraw/zinc/48/00/47/386480047.db2.gz XWSXOXWYDMEMAD-STQMWFEESA-N 0 3 233.286 3.413 20 0 BGADHN Cc1ccnc(CN2CCC[C@@H]2CC(C)(C)C)n1 ZINC000339590610 487470894 /nfs/dbraw/zinc/47/08/94/487470894.db2.gz RVVWKGYEJFYIOQ-CYBMUJFWSA-N 0 3 247.386 3.186 20 0 BGADHN Cc1ccnc(CN2CCC[C@H]2CC(C)(C)C)n1 ZINC000339590611 487470809 /nfs/dbraw/zinc/47/08/09/487470809.db2.gz RVVWKGYEJFYIOQ-ZDUSSCGKSA-N 0 3 247.386 3.186 20 0 BGADHN CCc1nocc1CN(C)CCCC(C)(C)C ZINC000339602102 172093457 /nfs/dbraw/zinc/09/34/57/172093457.db2.gz NIXRHUPUAFEZMD-UHFFFAOYSA-N 0 3 238.375 3.495 20 0 BGADHN CCc1nocc1CN(C)CCCC(C)C ZINC000339604884 172093302 /nfs/dbraw/zinc/09/33/02/172093302.db2.gz HEAIYTAZGGTVBF-UHFFFAOYSA-N 0 3 224.348 3.105 20 0 BGADHN CCc1nocc1CN(C)CC1CCCCC1 ZINC000339605237 172093903 /nfs/dbraw/zinc/09/39/03/172093903.db2.gz OKLGFQIBEUBTBA-UHFFFAOYSA-N 0 3 236.359 3.249 20 0 BGADHN CCc1nocc1CN(C)C[C@H](C)CC(C)C ZINC000339607693 172094389 /nfs/dbraw/zinc/09/43/89/172094389.db2.gz CLQGDCVECOCOQY-GFCCVEGCSA-N 0 3 238.375 3.351 20 0 BGADHN CCc1nocc1CN(C)C[C@@H](C)CC(C)C ZINC000339607695 172096361 /nfs/dbraw/zinc/09/63/61/172096361.db2.gz CLQGDCVECOCOQY-LBPRGKRZSA-N 0 3 238.375 3.351 20 0 BGADHN CCc1nocc1CN(C)CCC(C)(C)C ZINC000339608627 172093951 /nfs/dbraw/zinc/09/39/51/172093951.db2.gz MRGDOZFMYKNKLN-UHFFFAOYSA-N 0 3 224.348 3.105 20 0 BGADHN CCc1nocc1CN(C)CCC1CCCC1 ZINC000339608710 172093351 /nfs/dbraw/zinc/09/33/51/172093351.db2.gz QUEXSWDBXBOHDF-UHFFFAOYSA-N 0 3 236.359 3.249 20 0 BGADHN CCc1nocc1CN(C)CCC(C)(C)CC ZINC000339609176 172093664 /nfs/dbraw/zinc/09/36/64/172093664.db2.gz UAVZVXWJQSJNAJ-UHFFFAOYSA-N 0 3 238.375 3.495 20 0 BGADHN Cc1cccc([C@H](C)N2C[C@@H](C)N(C)[C@H](C)C2)c1 ZINC000339612817 179195034 /nfs/dbraw/zinc/19/50/34/179195034.db2.gz AOPLTGVGKDZJDQ-KFWWJZLASA-N 0 3 246.398 3.080 20 0 BGADHN Cc1cccc([C@H](C)N2C[C@H](C)N(C)[C@@H](C)C2)c1 ZINC000339612831 179194507 /nfs/dbraw/zinc/19/45/07/179194507.db2.gz AOPLTGVGKDZJDQ-KKUMJFAQSA-N 0 3 246.398 3.080 20 0 BGADHN Cc1cccc([C@@H](C)N2C[C@@H](C)N(C)[C@@H](C)C2)c1 ZINC000339612833 179180604 /nfs/dbraw/zinc/18/06/04/179180604.db2.gz AOPLTGVGKDZJDQ-QLFBSQMISA-N 0 3 246.398 3.080 20 0 BGADHN Cc1cccc([C@H](C)N2C[C@@H](C)N(C)[C@@H](C)C2)c1 ZINC000339612834 179194270 /nfs/dbraw/zinc/19/42/70/179194270.db2.gz AOPLTGVGKDZJDQ-ZNMIVQPWSA-N 0 3 246.398 3.080 20 0 BGADHN Cc1cccc(CN2CC=C(C)CC2)c1 ZINC000339623495 168114721 /nfs/dbraw/zinc/11/47/21/168114721.db2.gz FKXITNGVGGNHOG-UHFFFAOYSA-N 0 3 201.313 3.147 20 0 BGADHN CC1=CCN(Cc2ccc3c(c2)CCC3)CC1 ZINC000339624020 168114814 /nfs/dbraw/zinc/11/48/14/168114814.db2.gz JEJGJYYKIGCNKQ-UHFFFAOYSA-N 0 3 227.351 3.327 20 0 BGADHN Cc1ccc(CN2CC=C(C)CC2)cc1 ZINC000339625181 168115257 /nfs/dbraw/zinc/11/52/57/168115257.db2.gz GTMVIZRKFRIRDH-UHFFFAOYSA-N 0 3 201.313 3.147 20 0 BGADHN CCOc1ccc(CN2CC=C(C)CC2)cc1 ZINC000339626880 386494836 /nfs/dbraw/zinc/49/48/36/386494836.db2.gz QJZJZYZJLYYTIS-UHFFFAOYSA-N 0 3 231.339 3.237 20 0 BGADHN COc1ccc(C)cc1CN1CC=C(C)CC1 ZINC000339628314 175074585 /nfs/dbraw/zinc/07/45/85/175074585.db2.gz ZEKRXPJPCUZANX-UHFFFAOYSA-N 0 3 231.339 3.156 20 0 BGADHN CCC[C@H](C)[C@H]1CCCN1Cc1nccc(C)n1 ZINC000339657735 386509887 /nfs/dbraw/zinc/50/98/87/386509887.db2.gz DCLJLNHXIMVUND-GXTWGEPZSA-N 0 3 247.386 3.186 20 0 BGADHN CCC[C@H](C)[C@@H]1CCCN1Cc1nccc(C)n1 ZINC000339657738 386509784 /nfs/dbraw/zinc/50/97/84/386509784.db2.gz DCLJLNHXIMVUND-JSGCOSHPSA-N 0 3 247.386 3.186 20 0 BGADHN CCC[C@@H](C)[C@@H]1CCCN1Cc1nccc(C)n1 ZINC000339657740 169373670 /nfs/dbraw/zinc/37/36/70/169373670.db2.gz DCLJLNHXIMVUND-OCCSQVGLSA-N 0 3 247.386 3.186 20 0 BGADHN CCC[C@@H](C)[C@H]1CCCN1Cc1nccc(C)n1 ZINC000339657743 169373935 /nfs/dbraw/zinc/37/39/35/169373935.db2.gz DCLJLNHXIMVUND-TZMCWYRMSA-N 0 3 247.386 3.186 20 0 BGADHN CCOc1ccccc1CN1CC=C(C)CC1 ZINC000339659432 386509475 /nfs/dbraw/zinc/50/94/75/386509475.db2.gz RBSZZFOZEAVDIC-UHFFFAOYSA-N 0 3 231.339 3.237 20 0 BGADHN CC1=CCN(CCCOc2ccccc2)CC1 ZINC000339660229 168111038 /nfs/dbraw/zinc/11/10/38/168111038.db2.gz VBCDPGORLOKHPT-UHFFFAOYSA-N 0 3 231.339 3.108 20 0 BGADHN CCC[C@@H]1[C@@H](C)CCCN1Cc1nccc(C)n1 ZINC000339660966 386509573 /nfs/dbraw/zinc/50/95/73/386509573.db2.gz RTJQGOBYXPJUHJ-GXTWGEPZSA-N 0 3 247.386 3.186 20 0 BGADHN CCC[C@H]1[C@@H](C)CCCN1Cc1nccc(C)n1 ZINC000339660967 386509860 /nfs/dbraw/zinc/50/98/60/386509860.db2.gz RTJQGOBYXPJUHJ-JSGCOSHPSA-N 0 3 247.386 3.186 20 0 BGADHN CCC[C@H]1[C@H](C)CCCN1Cc1nccc(C)n1 ZINC000339660968 386509340 /nfs/dbraw/zinc/50/93/40/386509340.db2.gz RTJQGOBYXPJUHJ-OCCSQVGLSA-N 0 3 247.386 3.186 20 0 BGADHN CCC[C@@H]1[C@H](C)CCCN1Cc1nccc(C)n1 ZINC000339660969 169445378 /nfs/dbraw/zinc/44/53/78/169445378.db2.gz RTJQGOBYXPJUHJ-TZMCWYRMSA-N 0 3 247.386 3.186 20 0 BGADHN Cc1ccnc(CN(C(C)C)C2CCCCC2)n1 ZINC000339662633 386508789 /nfs/dbraw/zinc/50/87/89/386508789.db2.gz KWJPJFQCMXUYHD-UHFFFAOYSA-N 0 3 247.386 3.328 20 0 BGADHN Cc1ccnc(CN(CC(C)C)CC(C)(C)C)n1 ZINC000339662685 187329808 /nfs/dbraw/zinc/32/98/08/187329808.db2.gz MXJCMIGBLHOLHE-UHFFFAOYSA-N 0 3 249.402 3.289 20 0 BGADHN Cc1cc(C)cc(CN2CCC[C@H]2CF)c1 ZINC000339665577 386511713 /nfs/dbraw/zinc/51/17/13/386511713.db2.gz VGYXEQNGXSASGQ-AWEZNQCLSA-N 0 3 221.319 3.237 20 0 BGADHN Cc1cc(C)cc(CN2CCC[C@@H]2CF)c1 ZINC000339665578 386512409 /nfs/dbraw/zinc/51/24/09/386512409.db2.gz VGYXEQNGXSASGQ-CQSZACIVSA-N 0 3 221.319 3.237 20 0 BGADHN Cc1cccc(C)c1CN1CCC[C@@H]1CF ZINC000339665615 179034392 /nfs/dbraw/zinc/03/43/92/179034392.db2.gz WOHNTLYDABXQNE-CYBMUJFWSA-N 0 3 221.319 3.237 20 0 BGADHN Cc1cccc(C)c1CN1CCC[C@H]1CF ZINC000339665616 179035605 /nfs/dbraw/zinc/03/56/05/179035605.db2.gz WOHNTLYDABXQNE-ZDUSSCGKSA-N 0 3 221.319 3.237 20 0 BGADHN CC[C@H](C)[C@H]1CCCCN1Cc1nccc(C)n1 ZINC000339665920 386512968 /nfs/dbraw/zinc/51/29/68/386512968.db2.gz ODALMYXNNDSZFT-GXTWGEPZSA-N 0 3 247.386 3.186 20 0 BGADHN CC[C@H](C)[C@@H]1CCCCN1Cc1nccc(C)n1 ZINC000339665921 171381640 /nfs/dbraw/zinc/38/16/40/171381640.db2.gz ODALMYXNNDSZFT-JSGCOSHPSA-N 0 3 247.386 3.186 20 0 BGADHN CC[C@@H](C)[C@@H]1CCCCN1Cc1nccc(C)n1 ZINC000339665922 386510697 /nfs/dbraw/zinc/51/06/97/386510697.db2.gz ODALMYXNNDSZFT-OCCSQVGLSA-N 0 3 247.386 3.186 20 0 BGADHN CC[C@@H](C)[C@H]1CCCCN1Cc1nccc(C)n1 ZINC000339665923 386513065 /nfs/dbraw/zinc/51/30/65/386513065.db2.gz ODALMYXNNDSZFT-TZMCWYRMSA-N 0 3 247.386 3.186 20 0 BGADHN FC[C@@H]1CCCN1C[C@H]1C[C@H]1c1ccccc1 ZINC000339666211 386512269 /nfs/dbraw/zinc/51/22/69/386512269.db2.gz ZZFVIORQGYWJDU-ILXRZTDVSA-N 0 3 233.330 3.224 20 0 BGADHN FC[C@@H]1CCCN1C[C@@H]1C[C@H]1c1ccccc1 ZINC000339666212 386511405 /nfs/dbraw/zinc/51/14/05/386511405.db2.gz ZZFVIORQGYWJDU-KKUMJFAQSA-N 0 3 233.330 3.224 20 0 BGADHN FC[C@@H]1CCCN1C[C@H]1C[C@@H]1c1ccccc1 ZINC000339666213 386513173 /nfs/dbraw/zinc/51/31/73/386513173.db2.gz ZZFVIORQGYWJDU-QLFBSQMISA-N 0 3 233.330 3.224 20 0 BGADHN FC[C@@H]1CCCN1C[C@@H]1C[C@@H]1c1ccccc1 ZINC000339666214 386513278 /nfs/dbraw/zinc/51/32/78/386513278.db2.gz ZZFVIORQGYWJDU-SOUVJXGZSA-N 0 3 233.330 3.224 20 0 BGADHN CCC(CC)N(Cc1nccc(C)n1)CC(C)C ZINC000339666287 168375858 /nfs/dbraw/zinc/37/58/58/168375858.db2.gz SZACZFVPJIPKCA-UHFFFAOYSA-N 0 3 249.402 3.432 20 0 BGADHN CCC(C)(C)[C@H]1CCCN1Cc1nccc(C)n1 ZINC000339666296 168305136 /nfs/dbraw/zinc/30/51/36/168305136.db2.gz UIYPVHPQCJBJJS-CYBMUJFWSA-N 0 3 247.386 3.186 20 0 BGADHN CCC(C)(C)[C@@H]1CCCN1Cc1nccc(C)n1 ZINC000339666297 168304559 /nfs/dbraw/zinc/30/45/59/168304559.db2.gz UIYPVHPQCJBJJS-ZDUSSCGKSA-N 0 3 247.386 3.186 20 0 BGADHN Cc1ccc(C)c(CN2CCC[C@H]2CF)c1 ZINC000339667845 386511070 /nfs/dbraw/zinc/51/10/70/386511070.db2.gz WNLAZUMWQGJLRY-AWEZNQCLSA-N 0 3 221.319 3.237 20 0 BGADHN Cc1ccc(C)c(CN2CCC[C@@H]2CF)c1 ZINC000339667848 386511951 /nfs/dbraw/zinc/51/19/51/386511951.db2.gz WNLAZUMWQGJLRY-CQSZACIVSA-N 0 3 221.319 3.237 20 0 BGADHN CCc1cccc(CN2CCC[C@H]2CF)c1 ZINC000339668893 386513042 /nfs/dbraw/zinc/51/30/42/386513042.db2.gz SJKNMRUWGQWYFR-AWEZNQCLSA-N 0 3 221.319 3.183 20 0 BGADHN CCc1cccc(CN2CCC[C@@H]2CF)c1 ZINC000339668894 386512454 /nfs/dbraw/zinc/51/24/54/386512454.db2.gz SJKNMRUWGQWYFR-CQSZACIVSA-N 0 3 221.319 3.183 20 0 BGADHN Cc1ccc(CN2CCC[C@H]2CF)cc1C ZINC000339669873 386512886 /nfs/dbraw/zinc/51/28/86/386512886.db2.gz FYDFFNAEFPGUOB-AWEZNQCLSA-N 0 3 221.319 3.237 20 0 BGADHN Cc1ccc(CN2CCC[C@@H]2CF)cc1C ZINC000339669874 386512133 /nfs/dbraw/zinc/51/21/33/386512133.db2.gz FYDFFNAEFPGUOB-CQSZACIVSA-N 0 3 221.319 3.237 20 0 BGADHN Cc1cccc(CN2CC[C@@H](CC3CC3)C2)n1 ZINC000339670323 179079699 /nfs/dbraw/zinc/07/96/99/179079699.db2.gz BCJMPRKBBLYQGN-AWEZNQCLSA-N 0 3 230.355 3.012 20 0 BGADHN Cc1cccc(CN2CC[C@H](CC3CC3)C2)n1 ZINC000339670324 179081074 /nfs/dbraw/zinc/08/10/74/179081074.db2.gz BCJMPRKBBLYQGN-CQSZACIVSA-N 0 3 230.355 3.012 20 0 BGADHN Cc1ncc(CN2CC[C@H](CC3CC3)C2)s1 ZINC000339670836 180145910 /nfs/dbraw/zinc/14/59/10/180145910.db2.gz GCFFPTWVDZFRCI-GFCCVEGCSA-N 0 3 236.384 3.074 20 0 BGADHN Cc1ncc(CN2CC[C@@H](CC3CC3)C2)s1 ZINC000339670837 180144989 /nfs/dbraw/zinc/14/49/89/180144989.db2.gz GCFFPTWVDZFRCI-LBPRGKRZSA-N 0 3 236.384 3.074 20 0 BGADHN CCc1ccc(CN2CCC[C@H]2CF)cc1 ZINC000339671876 386515800 /nfs/dbraw/zinc/51/58/00/386515800.db2.gz RBHYSCVRZDIIBQ-AWEZNQCLSA-N 0 3 221.319 3.183 20 0 BGADHN CCc1ccc(CN2CCC[C@@H]2CF)cc1 ZINC000339671877 386514066 /nfs/dbraw/zinc/51/40/66/386514066.db2.gz RBHYSCVRZDIIBQ-CQSZACIVSA-N 0 3 221.319 3.183 20 0 BGADHN Cc1csc(CN2CC[C@H](CC3CC3)C2)n1 ZINC000339673191 386515189 /nfs/dbraw/zinc/51/51/89/386515189.db2.gz DTONGQMEJHBRIC-GFCCVEGCSA-N 0 3 236.384 3.074 20 0 BGADHN Cc1csc(CN2CC[C@@H](CC3CC3)C2)n1 ZINC000339673193 386515969 /nfs/dbraw/zinc/51/59/69/386515969.db2.gz DTONGQMEJHBRIC-LBPRGKRZSA-N 0 3 236.384 3.074 20 0 BGADHN Cc1ncsc1CN1CC[C@H](CC2CC2)C1 ZINC000339675134 180317637 /nfs/dbraw/zinc/31/76/37/180317637.db2.gz CHDXGYDFPATMSA-GFCCVEGCSA-N 0 3 236.384 3.074 20 0 BGADHN Cc1ncsc1CN1CC[C@@H](CC2CC2)C1 ZINC000339675135 180316939 /nfs/dbraw/zinc/31/69/39/180316939.db2.gz CHDXGYDFPATMSA-LBPRGKRZSA-N 0 3 236.384 3.074 20 0 BGADHN CCc1noc(C)c1CN1CC[C@H](CC2CC2)C1 ZINC000339676642 172077555 /nfs/dbraw/zinc/07/75/55/172077555.db2.gz XJRMWXIFEPRDCE-CYBMUJFWSA-N 0 3 248.370 3.167 20 0 BGADHN CCc1noc(C)c1CN1CC[C@@H](CC2CC2)C1 ZINC000339676643 172078137 /nfs/dbraw/zinc/07/81/37/172078137.db2.gz XJRMWXIFEPRDCE-ZDUSSCGKSA-N 0 3 248.370 3.167 20 0 BGADHN CC(C)n1nccc1CN1CC[C@@H](CC2CC2)C1 ZINC000339678943 386521259 /nfs/dbraw/zinc/52/12/59/386521259.db2.gz PJOBPYNOLZXVAC-AWEZNQCLSA-N 0 3 247.386 3.086 20 0 BGADHN CC(C)n1nccc1CN1CC[C@H](CC2CC2)C1 ZINC000339678944 386521442 /nfs/dbraw/zinc/52/14/42/386521442.db2.gz PJOBPYNOLZXVAC-CQSZACIVSA-N 0 3 247.386 3.086 20 0 BGADHN CCc1ccc(CN2CC[C@@H](CC3CC3)C2)nc1 ZINC000339679554 386521374 /nfs/dbraw/zinc/52/13/74/386521374.db2.gz PNOFNMNAEIBFFY-HNNXBMFYSA-N 0 3 244.382 3.266 20 0 BGADHN CCc1ccc(CN2CC[C@H](CC3CC3)C2)nc1 ZINC000339679555 386519959 /nfs/dbraw/zinc/51/99/59/386519959.db2.gz PNOFNMNAEIBFFY-OAHLLOKOSA-N 0 3 244.382 3.266 20 0 BGADHN Cc1ccc(CN2CC[C@@H](CC3CC3)C2)nc1 ZINC000339680557 386521334 /nfs/dbraw/zinc/52/13/34/386521334.db2.gz QFKUUPHMDAJPQO-AWEZNQCLSA-N 0 3 230.355 3.012 20 0 BGADHN Cc1ccc(CN2CC[C@H](CC3CC3)C2)nc1 ZINC000339680559 386519065 /nfs/dbraw/zinc/51/90/65/386519065.db2.gz QFKUUPHMDAJPQO-CQSZACIVSA-N 0 3 230.355 3.012 20 0 BGADHN CCc1nc(C)c(CN2CC[C@H](CC3CC3)C2)o1 ZINC000339685103 350773392 /nfs/dbraw/zinc/77/33/92/350773392.db2.gz WITUYXQNXDCNKC-CYBMUJFWSA-N 0 3 248.370 3.167 20 0 BGADHN CCc1nc(C)c(CN2CC[C@@H](CC3CC3)C2)o1 ZINC000339685104 350773606 /nfs/dbraw/zinc/77/36/06/350773606.db2.gz WITUYXQNXDCNKC-ZDUSSCGKSA-N 0 3 248.370 3.167 20 0 BGADHN Cc1cnc([C@H](C)N2CC[C@@H](CC3CC3)C2)o1 ZINC000339685583 386521244 /nfs/dbraw/zinc/52/12/44/386521244.db2.gz FMHRHHKZFDNGMP-AAEUAGOBSA-N 0 3 234.343 3.166 20 0 BGADHN Cc1cnc([C@@H](C)N2CC[C@H](CC3CC3)C2)o1 ZINC000339685584 386520274 /nfs/dbraw/zinc/52/02/74/386520274.db2.gz FMHRHHKZFDNGMP-DGCLKSJQSA-N 0 3 234.343 3.166 20 0 BGADHN Cc1cnc([C@H](C)N2CC[C@H](CC3CC3)C2)o1 ZINC000339685585 386520191 /nfs/dbraw/zinc/52/01/91/386520191.db2.gz FMHRHHKZFDNGMP-WCQYABFASA-N 0 3 234.343 3.166 20 0 BGADHN Cc1cnc([C@@H](C)N2CC[C@@H](CC3CC3)C2)o1 ZINC000339685586 386518827 /nfs/dbraw/zinc/51/88/27/386518827.db2.gz FMHRHHKZFDNGMP-YPMHNXCESA-N 0 3 234.343 3.166 20 0 BGADHN Cc1cnc(CN2CC[C@H](CC3CC3)C2)s1 ZINC000339688858 386519408 /nfs/dbraw/zinc/51/94/08/386519408.db2.gz WXKVOZHBAXEWNM-GFCCVEGCSA-N 0 3 236.384 3.074 20 0 BGADHN Cc1cnc(CN2CC[C@@H](CC3CC3)C2)s1 ZINC000339688859 386520567 /nfs/dbraw/zinc/52/05/67/386520567.db2.gz WXKVOZHBAXEWNM-LBPRGKRZSA-N 0 3 236.384 3.074 20 0 BGADHN CC(C)CSCCCSCCN(C)C ZINC000339739999 188369263 /nfs/dbraw/zinc/36/92/63/188369263.db2.gz BQZZXQCNBVURLK-UHFFFAOYSA-N 0 3 235.462 3.061 20 0 BGADHN C[C@H](SCCN(C)C)c1ccccc1F ZINC000339740031 177026905 /nfs/dbraw/zinc/02/69/05/177026905.db2.gz DKJUKDIRDBCRIX-JTQLQIEISA-N 0 3 227.348 3.182 20 0 BGADHN C[C@@H](SCCN(C)C)c1ccccc1F ZINC000339740032 176008420 /nfs/dbraw/zinc/00/84/20/176008420.db2.gz DKJUKDIRDBCRIX-SNVBAGLBSA-N 0 3 227.348 3.182 20 0 BGADHN CC[C@@H](SCCN(C)C)c1ccccc1 ZINC000339741907 350792585 /nfs/dbraw/zinc/79/25/85/350792585.db2.gz CXIPFXUJSPMUDM-CYBMUJFWSA-N 0 3 223.385 3.433 20 0 BGADHN CC[C@H](SCCN(C)C)c1ccccc1 ZINC000339741908 386570374 /nfs/dbraw/zinc/57/03/74/386570374.db2.gz CXIPFXUJSPMUDM-ZDUSSCGKSA-N 0 3 223.385 3.433 20 0 BGADHN CN(C)CCSCCCC1CCCC1 ZINC000339742273 386576727 /nfs/dbraw/zinc/57/67/27/386576727.db2.gz KFHJLZVGILZLEO-UHFFFAOYSA-N 0 3 215.406 3.252 20 0 BGADHN CN(C)CCSCc1cc2ccccc2o1 ZINC000339742297 386573631 /nfs/dbraw/zinc/57/36/31/386573631.db2.gz ISGJPIOUVSPZTP-UHFFFAOYSA-N 0 3 235.352 3.228 20 0 BGADHN Cc1cccc([C@@H](C)SCCN(C)C)c1 ZINC000339742351 188019012 /nfs/dbraw/zinc/01/90/12/188019012.db2.gz KFARYMWGIZHICW-GFCCVEGCSA-N 0 3 223.385 3.351 20 0 BGADHN Cc1cccc([C@H](C)SCCN(C)C)c1 ZINC000339742352 386573767 /nfs/dbraw/zinc/57/37/67/386573767.db2.gz KFARYMWGIZHICW-LBPRGKRZSA-N 0 3 223.385 3.351 20 0 BGADHN CN(C)CCSCCCCC(F)(F)F ZINC000339742739 386576556 /nfs/dbraw/zinc/57/65/56/386576556.db2.gz MOAGAPKSVXUPRP-UHFFFAOYSA-N 0 3 229.311 3.014 20 0 BGADHN CN(C)CCSC[C@@H]1CCCc2ccccc21 ZINC000339743965 386578562 /nfs/dbraw/zinc/57/85/62/386578562.db2.gz YPZMYGBMJDIKQM-AWEZNQCLSA-N 0 3 249.423 3.401 20 0 BGADHN CN(C)CCSC[C@H]1CCCc2ccccc21 ZINC000339743966 386578529 /nfs/dbraw/zinc/57/85/29/386578529.db2.gz YPZMYGBMJDIKQM-CQSZACIVSA-N 0 3 249.423 3.401 20 0 BGADHN CCCCCN1CCOC[C@@H]1CC1CCC1 ZINC000339769426 386608321 /nfs/dbraw/zinc/60/83/21/386608321.db2.gz MYZZKRDEASARQN-AWEZNQCLSA-N 0 3 225.376 3.068 20 0 BGADHN CCCCCN1CCOC[C@H]1CC1CCC1 ZINC000339769427 386609060 /nfs/dbraw/zinc/60/90/60/386609060.db2.gz MYZZKRDEASARQN-CQSZACIVSA-N 0 3 225.376 3.068 20 0 BGADHN FCCCCCN1CCOC[C@@H]1CC1CCC1 ZINC000339771729 386608857 /nfs/dbraw/zinc/60/88/57/386608857.db2.gz CPXUUECZZGIBMX-AWEZNQCLSA-N 0 3 243.366 3.017 20 0 BGADHN FCCCCCN1CCOC[C@H]1CC1CCC1 ZINC000339771730 386608985 /nfs/dbraw/zinc/60/89/85/386608985.db2.gz CPXUUECZZGIBMX-CQSZACIVSA-N 0 3 243.366 3.017 20 0 BGADHN CC/C=C\CCN1CCOC[C@H]1CC1CCC1 ZINC000339774830 386620862 /nfs/dbraw/zinc/62/08/62/386620862.db2.gz XHEOTSCRARINBS-ABCZVMIZSA-N 0 3 237.387 3.234 20 0 BGADHN CC/C=C/CCN1CCOC[C@@H]1CC1CCC1 ZINC000339774831 386621417 /nfs/dbraw/zinc/62/14/17/386621417.db2.gz XHEOTSCRARINBS-BWPKMQGJSA-N 0 3 237.387 3.234 20 0 BGADHN CC/C=C\CCN1CCOC[C@@H]1CC1CCC1 ZINC000339774832 386620666 /nfs/dbraw/zinc/62/06/66/386620666.db2.gz XHEOTSCRARINBS-JZIMQPMSSA-N 0 3 237.387 3.234 20 0 BGADHN CC/C=C/CCN1CCOC[C@H]1CC1CCC1 ZINC000339774833 386620018 /nfs/dbraw/zinc/62/00/18/386620018.db2.gz XHEOTSCRARINBS-NHZBNJEXSA-N 0 3 237.387 3.234 20 0 BGADHN CC1(CN2CCOC[C@@H]2CC2CCC2)CCC1 ZINC000339776207 168025408 /nfs/dbraw/zinc/02/54/08/168025408.db2.gz MPSZQQNQIIFWNL-AWEZNQCLSA-N 0 3 237.387 3.068 20 0 BGADHN CC1(CN2CCOC[C@H]2CC2CCC2)CCC1 ZINC000339776208 168025489 /nfs/dbraw/zinc/02/54/89/168025489.db2.gz MPSZQQNQIIFWNL-CQSZACIVSA-N 0 3 237.387 3.068 20 0 BGADHN COCc1ccc(CNCC23CCC(CC2)C3)o1 ZINC000339788766 386634440 /nfs/dbraw/zinc/63/44/40/386634440.db2.gz VOLFYCKTLRTGHR-UHFFFAOYSA-N 0 3 249.354 3.096 20 0 BGADHN CCCCN(Cc1c[nH]cn1)C1CCCCC1 ZINC000339795620 386641705 /nfs/dbraw/zinc/64/17/05/386641705.db2.gz HILVDRQBEXWEBL-UHFFFAOYSA-N 0 3 235.375 3.345 20 0 BGADHN CCCCN(Cc1ncccn1)C1CCCCC1 ZINC000339798126 386643993 /nfs/dbraw/zinc/64/39/93/386643993.db2.gz OFXJCOFHSZXJHJ-UHFFFAOYSA-N 0 3 247.386 3.411 20 0 BGADHN COc1cc(C)nc(CN2CCC[C@H](C)[C@@H]2C)c1 ZINC000339815062 386656922 /nfs/dbraw/zinc/65/69/22/386656922.db2.gz GEGYWHVNQLSSRS-AAEUAGOBSA-N 0 3 248.370 3.019 20 0 BGADHN COc1cc(C)nc(CN2CCC[C@@H](C)[C@H]2C)c1 ZINC000339815069 386655628 /nfs/dbraw/zinc/65/56/28/386655628.db2.gz GEGYWHVNQLSSRS-DGCLKSJQSA-N 0 3 248.370 3.019 20 0 BGADHN COc1cc(C)nc(CN2CCC[C@H](C)[C@H]2C)c1 ZINC000339815071 386656259 /nfs/dbraw/zinc/65/62/59/386656259.db2.gz GEGYWHVNQLSSRS-WCQYABFASA-N 0 3 248.370 3.019 20 0 BGADHN COc1cc(C)nc(CN2CCC[C@@H](C)[C@@H]2C)c1 ZINC000339815073 386657072 /nfs/dbraw/zinc/65/70/72/386657072.db2.gz GEGYWHVNQLSSRS-YPMHNXCESA-N 0 3 248.370 3.019 20 0 BGADHN CCC1CCN(Cc2cc(OC)cc(C)n2)CC1 ZINC000339816961 386655910 /nfs/dbraw/zinc/65/59/10/386655910.db2.gz IDFMCLRCGNPCKA-UHFFFAOYSA-N 0 3 248.370 3.021 20 0 BGADHN COc1cc(C)nc(CN2C[C@H](C)CC2(C)C)c1 ZINC000339817612 386658736 /nfs/dbraw/zinc/65/87/36/386658736.db2.gz OYKOYEZVUISMOU-LLVKDONJSA-N 0 3 248.370 3.019 20 0 BGADHN COc1cc(C)nc(CN2C[C@@H](C)CC2(C)C)c1 ZINC000339817614 386659172 /nfs/dbraw/zinc/65/91/72/386659172.db2.gz OYKOYEZVUISMOU-NSHDSACASA-N 0 3 248.370 3.019 20 0 BGADHN COc1cc(C)nc(CN(C(C)C)C2CCC2)c1 ZINC000339818510 386662797 /nfs/dbraw/zinc/66/27/97/386662797.db2.gz BRKMLXMHFPXZDQ-UHFFFAOYSA-N 0 3 248.370 3.162 20 0 BGADHN COc1cc(C)nc(CN2C[C@@H](C)CC[C@@H]2C)c1 ZINC000339818807 386664088 /nfs/dbraw/zinc/66/40/88/386664088.db2.gz BWLFANNMPOWCKU-AAEUAGOBSA-N 0 3 248.370 3.019 20 0 BGADHN COc1cc(C)nc(CN2C[C@H](C)CC[C@H]2C)c1 ZINC000339818808 386665166 /nfs/dbraw/zinc/66/51/66/386665166.db2.gz BWLFANNMPOWCKU-DGCLKSJQSA-N 0 3 248.370 3.019 20 0 BGADHN COc1cc(C)nc(CN2C[C@@H](C)CC[C@H]2C)c1 ZINC000339818809 386663608 /nfs/dbraw/zinc/66/36/08/386663608.db2.gz BWLFANNMPOWCKU-WCQYABFASA-N 0 3 248.370 3.019 20 0 BGADHN COc1cc(C)nc(CN2C[C@H](C)CC[C@@H]2C)c1 ZINC000339818810 386665152 /nfs/dbraw/zinc/66/51/52/386665152.db2.gz BWLFANNMPOWCKU-YPMHNXCESA-N 0 3 248.370 3.019 20 0 BGADHN COc1cc(C)nc(CN2CCCCC[C@H]2C)c1 ZINC000339819688 386663889 /nfs/dbraw/zinc/66/38/89/386663889.db2.gz JFLPTHIWGXCZSJ-CYBMUJFWSA-N 0 3 248.370 3.163 20 0 BGADHN COc1cc(C)nc(CN2CCCCC[C@@H]2C)c1 ZINC000339819689 386663686 /nfs/dbraw/zinc/66/36/86/386663686.db2.gz JFLPTHIWGXCZSJ-ZDUSSCGKSA-N 0 3 248.370 3.163 20 0 BGADHN CC[C@@H]1CCCN(Cc2cc(OC)cc(C)n2)C1 ZINC000339821171 350837193 /nfs/dbraw/zinc/83/71/93/350837193.db2.gz DWFZKRNGEIZAMQ-CYBMUJFWSA-N 0 3 248.370 3.021 20 0 BGADHN CC[C@H]1CCCN(Cc2cc(OC)cc(C)n2)C1 ZINC000339821174 386659429 /nfs/dbraw/zinc/65/94/29/386659429.db2.gz DWFZKRNGEIZAMQ-ZDUSSCGKSA-N 0 3 248.370 3.021 20 0 BGADHN COc1cc(C)nc(CN2CCC(C)(C)CC2)c1 ZINC000339823849 487502461 /nfs/dbraw/zinc/50/24/61/487502461.db2.gz ARPCQHVARXVIQR-UHFFFAOYSA-N 0 3 248.370 3.021 20 0 BGADHN COc1cc(C)nc(CN2[C@H](C)CCC[C@@H]2C)c1 ZINC000339824437 386670752 /nfs/dbraw/zinc/67/07/52/386670752.db2.gz GNMRMTSPFNDRMW-BETUJISGSA-N 0 3 248.370 3.162 20 0 BGADHN COc1cc(C)nc(CN2[C@H](C)CCC[C@H]2C)c1 ZINC000339824438 386670671 /nfs/dbraw/zinc/67/06/71/386670671.db2.gz GNMRMTSPFNDRMW-CHWSQXEVSA-N 0 3 248.370 3.162 20 0 BGADHN COc1cc(C)nc(CN2[C@@H](C)CCC[C@@H]2C)c1 ZINC000339824443 386669323 /nfs/dbraw/zinc/66/93/23/386669323.db2.gz GNMRMTSPFNDRMW-STQMWFEESA-N 0 3 248.370 3.162 20 0 BGADHN CC[C@@]1(C)CCN(Cc2cc(OC)cc(C)n2)C1 ZINC000339825774 171201157 /nfs/dbraw/zinc/20/11/57/171201157.db2.gz ADNZHLIPOVEJQH-HNNXBMFYSA-N 0 3 248.370 3.021 20 0 BGADHN CC[C@]1(C)CCN(Cc2cc(OC)cc(C)n2)C1 ZINC000339825775 386673698 /nfs/dbraw/zinc/67/36/98/386673698.db2.gz ADNZHLIPOVEJQH-OAHLLOKOSA-N 0 3 248.370 3.021 20 0 BGADHN COc1cc(C)nc(CN2CCC[C@@H](C)CC2)c1 ZINC000339827030 398172024 /nfs/dbraw/zinc/17/20/24/398172024.db2.gz NCDQPDLVMSKFTD-GFCCVEGCSA-N 0 3 248.370 3.021 20 0 BGADHN COc1cc(C)nc(CN2CCC[C@H](C)CC2)c1 ZINC000339827031 398172340 /nfs/dbraw/zinc/17/23/40/398172340.db2.gz NCDQPDLVMSKFTD-LBPRGKRZSA-N 0 3 248.370 3.021 20 0 BGADHN COc1cc(C)nc(CN2CCCC(C)(C)C2)c1 ZINC000339830358 386682215 /nfs/dbraw/zinc/68/22/15/386682215.db2.gz JVZQNQFAMFSPCO-UHFFFAOYSA-N 0 3 248.370 3.021 20 0 BGADHN CCCCN(CC)Cc1cc(OC)cc(C)n1 ZINC000339830902 386679524 /nfs/dbraw/zinc/67/95/24/386679524.db2.gz ZSBCSYXQCYSSBA-UHFFFAOYSA-N 0 3 236.359 3.021 20 0 BGADHN CC[C@H]1CCCCN1Cc1cc(OC)cc(C)n1 ZINC000339839775 386696778 /nfs/dbraw/zinc/69/67/78/386696778.db2.gz YFSRHOVWEHLJCD-AWEZNQCLSA-N 0 3 248.370 3.163 20 0 BGADHN CC[C@@H]1CCCCN1Cc1cc(OC)cc(C)n1 ZINC000339839776 350843160 /nfs/dbraw/zinc/84/31/60/350843160.db2.gz YFSRHOVWEHLJCD-CQSZACIVSA-N 0 3 248.370 3.163 20 0 BGADHN CCCN(CCC)Cc1cc(OC)cc(C)n1 ZINC000339839982 169149355 /nfs/dbraw/zinc/14/93/55/169149355.db2.gz UQZCZPCHDLFLBX-UHFFFAOYSA-N 0 3 236.359 3.021 20 0 BGADHN CCCCN(Cc1cc(OC)cc(C)n1)C1CC1 ZINC000339841967 398173482 /nfs/dbraw/zinc/17/34/82/398173482.db2.gz OFQNLTIQFQSMCB-UHFFFAOYSA-N 0 3 248.370 3.163 20 0 BGADHN COc1cc(C)nc(CN(C)CC2CCCC2)c1 ZINC000339842209 398173559 /nfs/dbraw/zinc/17/35/59/398173559.db2.gz BQOVEKVNSVUMQN-UHFFFAOYSA-N 0 3 248.370 3.021 20 0 BGADHN COc1cc(CN(C)C2CCC(C)CC2)ccn1 ZINC000339865379 398176497 /nfs/dbraw/zinc/17/64/97/398176497.db2.gz IOIBTPMXSRTRBC-UHFFFAOYSA-N 0 3 248.370 3.101 20 0 BGADHN COc1cc(CN(CCC(C)C)C2CC2)ccn1 ZINC000339866810 537897042 /nfs/dbraw/zinc/89/70/42/537897042.db2.gz MFGHVZHTMMUHQS-UHFFFAOYSA-N 0 3 248.370 3.101 20 0 BGADHN c1cc(CN[C@H](c2cccnc2)C2CC2)cs1 ZINC000340105652 385692417 /nfs/dbraw/zinc/69/24/17/385692417.db2.gz PVONQKVRHRYMDW-AWEZNQCLSA-N 0 3 244.363 3.384 20 0 BGADHN c1cc(CN[C@@H](c2cccnc2)C2CC2)cs1 ZINC000340105659 385692435 /nfs/dbraw/zinc/69/24/35/385692435.db2.gz PVONQKVRHRYMDW-CQSZACIVSA-N 0 3 244.363 3.384 20 0 BGADHN c1csc(CN[C@H](c2cccnc2)C2CC2)c1 ZINC000340106455 385690755 /nfs/dbraw/zinc/69/07/55/385690755.db2.gz UNHVXTPRTLJDKS-AWEZNQCLSA-N 0 3 244.363 3.384 20 0 BGADHN c1csc(CN[C@@H](c2cccnc2)C2CC2)c1 ZINC000340106456 385690590 /nfs/dbraw/zinc/69/05/90/385690590.db2.gz UNHVXTPRTLJDKS-CQSZACIVSA-N 0 3 244.363 3.384 20 0 BGADHN CC[C@@H](NCc1cnc(C)nc1)c1cccs1 ZINC000340107007 351903155 /nfs/dbraw/zinc/90/31/55/351903155.db2.gz WQJYZXGHJRGISP-GFCCVEGCSA-N 0 3 247.367 3.087 20 0 BGADHN CC[C@H](NCc1cnc(C)nc1)c1cccs1 ZINC000340107008 398060857 /nfs/dbraw/zinc/06/08/57/398060857.db2.gz WQJYZXGHJRGISP-LBPRGKRZSA-N 0 3 247.367 3.087 20 0 BGADHN c1ccc(CN[C@H](c2cccnc2)C2CC2)cc1 ZINC000340108355 133558800 /nfs/dbraw/zinc/55/88/00/133558800.db2.gz IITZIZUHOMZEEW-INIZCTEOSA-N 0 3 238.334 3.323 20 0 BGADHN c1ccc(CN[C@@H](c2cccnc2)C2CC2)cc1 ZINC000340108356 351907123 /nfs/dbraw/zinc/90/71/23/351907123.db2.gz IITZIZUHOMZEEW-MRXNPFEDSA-N 0 3 238.334 3.323 20 0 BGADHN Cc1occc1CNCc1cccc2cc[nH]c21 ZINC000340173278 385819737 /nfs/dbraw/zinc/81/97/37/385819737.db2.gz FOTPBCGVGJUHMF-UHFFFAOYSA-N 0 3 240.306 3.359 20 0 BGADHN CC(C)C[C@@H](NCc1cnc[nH]1)c1cccs1 ZINC000340176192 398073906 /nfs/dbraw/zinc/07/39/06/398073906.db2.gz KQMGVDUCKDVWHY-GFCCVEGCSA-N 0 3 249.383 3.348 20 0 BGADHN CC(C)C[C@@H](NCc1c[nH]cn1)c1cccs1 ZINC000340176192 398073904 /nfs/dbraw/zinc/07/39/04/398073904.db2.gz KQMGVDUCKDVWHY-GFCCVEGCSA-N 0 3 249.383 3.348 20 0 BGADHN CC(C)C[C@H](NCc1cnc[nH]1)c1cccs1 ZINC000340176193 398074246 /nfs/dbraw/zinc/07/42/46/398074246.db2.gz KQMGVDUCKDVWHY-LBPRGKRZSA-N 0 3 249.383 3.348 20 0 BGADHN CC(C)C[C@H](NCc1c[nH]cn1)c1cccs1 ZINC000340176193 398074242 /nfs/dbraw/zinc/07/42/42/398074242.db2.gz KQMGVDUCKDVWHY-LBPRGKRZSA-N 0 3 249.383 3.348 20 0 BGADHN CCOCCN[C@H](C)c1cccc(C2CC2)c1 ZINC000340187014 385839368 /nfs/dbraw/zinc/83/93/68/385839368.db2.gz PYUXGGOPLITAHJ-GFCCVEGCSA-N 0 3 233.355 3.251 20 0 BGADHN CCOCCN[C@@H](C)c1cccc(C2CC2)c1 ZINC000340187015 170413989 /nfs/dbraw/zinc/41/39/89/170413989.db2.gz PYUXGGOPLITAHJ-LBPRGKRZSA-N 0 3 233.355 3.251 20 0 BGADHN COc1cccc(CN2CCCC(C)(C)C2)c1 ZINC000340199062 175257543 /nfs/dbraw/zinc/25/75/43/175257543.db2.gz SJSJFRFKJSPKKX-UHFFFAOYSA-N 0 3 233.355 3.317 20 0 BGADHN c1cc(CNCCCCOc2ccccc2)co1 ZINC000340199707 385905356 /nfs/dbraw/zinc/90/53/56/385905356.db2.gz DTLHMEVVUSAHAH-UHFFFAOYSA-N 0 3 245.322 3.228 20 0 BGADHN C[C@@H](NC(C1CC1)C1CC1)c1ccncc1F ZINC000340202799 385911007 /nfs/dbraw/zinc/91/10/07/385911007.db2.gz XBGFHNIACXYVDZ-SECBINFHSA-N 0 3 234.318 3.060 20 0 BGADHN C[C@H](NC(C1CC1)C1CC1)c1ccncc1F ZINC000340202801 385911739 /nfs/dbraw/zinc/91/17/39/385911739.db2.gz XBGFHNIACXYVDZ-VIFPVBQESA-N 0 3 234.318 3.060 20 0 BGADHN Cc1cc(C)c(CN2C[C@H](C)OC[C@@H]2C)c(C)c1 ZINC000340219149 385990926 /nfs/dbraw/zinc/99/09/26/385990926.db2.gz ZAYKCNUFTFFLQC-GJZGRUSLSA-N 0 3 247.382 3.221 20 0 BGADHN Cc1cc(C)c(CN2C[C@@H](C)OC[C@H]2C)c(C)c1 ZINC000340219150 385991110 /nfs/dbraw/zinc/99/11/10/385991110.db2.gz ZAYKCNUFTFFLQC-HUUCEWRRSA-N 0 3 247.382 3.221 20 0 BGADHN Cc1cc(C)c(CN2C[C@@H](C)OC[C@@H]2C)c(C)c1 ZINC000340219151 385991527 /nfs/dbraw/zinc/99/15/27/385991527.db2.gz ZAYKCNUFTFFLQC-LSDHHAIUSA-N 0 3 247.382 3.221 20 0 BGADHN COCCN(Cc1c(C)cc(C)cc1C)C1CC1 ZINC000340221554 174298155 /nfs/dbraw/zinc/29/81/55/174298155.db2.gz XQOFYADPXTYWHA-UHFFFAOYSA-N 0 3 247.382 3.223 20 0 BGADHN CC(C)OCCN1Cc2ccccc2C(C)(C)C1 ZINC000340229416 167238111 /nfs/dbraw/zinc/23/81/11/167238111.db2.gz BKTZLDWZQOSTLC-UHFFFAOYSA-N 0 3 247.382 3.205 20 0 BGADHN CC1(C)CN(CCCF)Cc2ccccc21 ZINC000340232823 187346494 /nfs/dbraw/zinc/34/64/94/187346494.db2.gz XVGLUYABKDJFMB-UHFFFAOYSA-N 0 3 221.319 3.139 20 0 BGADHN Cc1cc(CN2CCCC23CCCCC3)nn1C ZINC000340234675 386058549 /nfs/dbraw/zinc/05/85/49/386058549.db2.gz BAVYACXIFGRUHQ-UHFFFAOYSA-N 0 3 247.386 3.027 20 0 BGADHN CCOCCCN1Cc2ccccc2C(C)(C)C1 ZINC000340238930 170376194 /nfs/dbraw/zinc/37/61/94/170376194.db2.gz LRWNMUSJAVZNCU-UHFFFAOYSA-N 0 3 247.382 3.206 20 0 BGADHN CSCCN1Cc2ccccc2C(C)(C)C1 ZINC000340240658 386071541 /nfs/dbraw/zinc/07/15/41/386071541.db2.gz VWDACUUDFGEYLZ-UHFFFAOYSA-N 0 3 235.396 3.143 20 0 BGADHN CSCCCCN[C@@H](C)c1ccncc1F ZINC000340243508 388488562 /nfs/dbraw/zinc/48/85/62/388488562.db2.gz GMLAXWAZLPLJOF-JTQLQIEISA-N 0 3 242.363 3.015 20 0 BGADHN CSCCCCN[C@H](C)c1ccncc1F ZINC000340243509 175476273 /nfs/dbraw/zinc/47/62/73/175476273.db2.gz GMLAXWAZLPLJOF-SNVBAGLBSA-N 0 3 242.363 3.015 20 0 BGADHN CC1(C)Cc2cccc(CN3CCCCC3)c2O1 ZINC000340245303 188386407 /nfs/dbraw/zinc/38/64/07/188386407.db2.gz NTKXCOFMYMPQPF-UHFFFAOYSA-N 0 3 245.366 3.386 20 0 BGADHN CCC1(CN[C@H](C)c2ccncc2F)CCC1 ZINC000340255715 386126317 /nfs/dbraw/zinc/12/63/17/386126317.db2.gz KVLVPRSRNXJCIO-LLVKDONJSA-N 0 3 236.334 3.452 20 0 BGADHN CCC1(CN[C@@H](C)c2ccncc2F)CCC1 ZINC000340255718 386126541 /nfs/dbraw/zinc/12/65/41/386126541.db2.gz KVLVPRSRNXJCIO-NSHDSACASA-N 0 3 236.334 3.452 20 0 BGADHN CC[C@@H]1CCC[C@@H]1N[C@H](C)c1ccncc1F ZINC000340256726 386133729 /nfs/dbraw/zinc/13/37/29/386133729.db2.gz BXCXJNFENWQZMZ-GYSYKLTISA-N 0 3 236.334 3.450 20 0 BGADHN CC[C@@H]1CCC[C@H]1N[C@H](C)c1ccncc1F ZINC000340256743 171002390 /nfs/dbraw/zinc/00/23/90/171002390.db2.gz BXCXJNFENWQZMZ-JTNHKYCSSA-N 0 3 236.334 3.450 20 0 BGADHN CC[C@@H]1CCC[C@H]1N[C@@H](C)c1ccncc1F ZINC000340256745 171001927 /nfs/dbraw/zinc/00/19/27/171001927.db2.gz BXCXJNFENWQZMZ-MISXGVKJSA-N 0 3 236.334 3.450 20 0 BGADHN CC[C@@H]1CCC[C@@H]1N[C@@H](C)c1ccncc1F ZINC000340256747 386135747 /nfs/dbraw/zinc/13/57/47/386135747.db2.gz BXCXJNFENWQZMZ-WDMOLILDSA-N 0 3 236.334 3.450 20 0 BGADHN C[C@H](Cc1ccoc1)N[C@H](C)c1ccncc1F ZINC000340262376 386151861 /nfs/dbraw/zinc/15/18/61/386151861.db2.gz YCXZZBZFLMHJJY-GHMZBOCLSA-N 0 3 248.301 3.096 20 0 BGADHN C[C@H](Cc1ccoc1)N[C@@H](C)c1ccncc1F ZINC000340262378 386150761 /nfs/dbraw/zinc/15/07/61/386150761.db2.gz YCXZZBZFLMHJJY-MNOVXSKESA-N 0 3 248.301 3.096 20 0 BGADHN C[C@@H](Cc1ccoc1)N[C@@H](C)c1ccncc1F ZINC000340262379 386151607 /nfs/dbraw/zinc/15/16/07/386151607.db2.gz YCXZZBZFLMHJJY-QWRGUYRKSA-N 0 3 248.301 3.096 20 0 BGADHN C[C@@H](N[C@@H](C)Cc1ccoc1)c1ccncc1F ZINC000340262380 386149943 /nfs/dbraw/zinc/14/99/43/386149943.db2.gz YCXZZBZFLMHJJY-WDEREUQCSA-N 0 3 248.301 3.096 20 0 BGADHN Fc1ccc(CN[C@H]2CCCC23CCCC3)nc1 ZINC000340265896 386159017 /nfs/dbraw/zinc/15/90/17/386159017.db2.gz JBLLCFOWXMJMAT-AWEZNQCLSA-N 0 3 248.345 3.423 20 0 BGADHN Fc1ccc(CN[C@@H]2CCCC23CCCC3)nc1 ZINC000340265897 386158816 /nfs/dbraw/zinc/15/88/16/386158816.db2.gz JBLLCFOWXMJMAT-CQSZACIVSA-N 0 3 248.345 3.423 20 0 BGADHN COc1ccc(CN(C)CC2(C)CCC2)cc1O ZINC000340274532 188209994 /nfs/dbraw/zinc/20/99/94/188209994.db2.gz DLBYGFSDRHFGRZ-UHFFFAOYSA-N 0 3 249.354 3.023 20 0 BGADHN CC1(CN2CCc3sccc3C2)CCC1 ZINC000340275088 168026314 /nfs/dbraw/zinc/02/63/14/168026314.db2.gz AZWCVQRGQGRVHX-UHFFFAOYSA-N 0 3 221.369 3.296 20 0 BGADHN COc1ccccc1CN(C)CC1(C)CCC1 ZINC000340284842 175324503 /nfs/dbraw/zinc/32/45/03/175324503.db2.gz KOXVBNPRPWVROK-UHFFFAOYSA-N 0 3 233.355 3.317 20 0 BGADHN C[C@H](c1ccco1)N(C)CC1(C)CCC1 ZINC000340285822 177047197 /nfs/dbraw/zinc/04/71/97/177047197.db2.gz CJJPMTRQYMNWSK-LLVKDONJSA-N 0 3 207.317 3.463 20 0 BGADHN C[C@@H](c1ccco1)N(C)CC1(C)CCC1 ZINC000340285824 176032249 /nfs/dbraw/zinc/03/22/49/176032249.db2.gz CJJPMTRQYMNWSK-NSHDSACASA-N 0 3 207.317 3.463 20 0 BGADHN CN(Cc1ccccc1F)CC1(C)CCC1 ZINC000340287102 386212645 /nfs/dbraw/zinc/21/26/45/386212645.db2.gz GLQAJGQVGJMMCA-UHFFFAOYSA-N 0 3 221.319 3.448 20 0 BGADHN CN(Cc1ccco1)C[C@H]1CCC(F)(F)C1 ZINC000340287912 386214530 /nfs/dbraw/zinc/21/45/30/386214530.db2.gz QYESGMPKTLRHPV-JTQLQIEISA-N 0 3 229.270 3.147 20 0 BGADHN CN(Cc1ccco1)C[C@@H]1CCC(F)(F)C1 ZINC000340287913 172889960 /nfs/dbraw/zinc/88/99/60/172889960.db2.gz QYESGMPKTLRHPV-SNVBAGLBSA-N 0 3 229.270 3.147 20 0 BGADHN C[C@@H]1c2cccn2CCN1CC1(C)CCC1 ZINC000340288653 386222685 /nfs/dbraw/zinc/22/26/85/386222685.db2.gz UTNCIAQBCXXVGQ-GFCCVEGCSA-N 0 3 218.344 3.055 20 0 BGADHN C[C@H]1c2cccn2CCN1CC1(C)CCC1 ZINC000340288655 386222413 /nfs/dbraw/zinc/22/24/13/386222413.db2.gz UTNCIAQBCXXVGQ-LBPRGKRZSA-N 0 3 218.344 3.055 20 0 BGADHN CC1(CN2CCc3cc(F)ccc3C2)CCC1 ZINC000340292874 168027344 /nfs/dbraw/zinc/02/73/44/168027344.db2.gz VCSZPLHSCANGDT-UHFFFAOYSA-N 0 3 233.330 3.374 20 0 BGADHN Cn1ccc(CN2CCC[C@@H](C(C)(C)C)CC2)n1 ZINC000340293827 386229634 /nfs/dbraw/zinc/22/96/34/386229634.db2.gz YBRGYRRHLZFZGU-CYBMUJFWSA-N 0 3 249.402 3.068 20 0 BGADHN Cn1ccc(CN2CCC[C@H](C(C)(C)C)CC2)n1 ZINC000340293829 386228980 /nfs/dbraw/zinc/22/89/80/386228980.db2.gz YBRGYRRHLZFZGU-ZDUSSCGKSA-N 0 3 249.402 3.068 20 0 BGADHN COC(C)(C)[C@@H](C)NCc1coc2ccccc12 ZINC000340299746 386251160 /nfs/dbraw/zinc/25/11/60/386251160.db2.gz HJHSIQVEHCEUTK-LLVKDONJSA-N 0 3 247.338 3.336 20 0 BGADHN COC(C)(C)[C@H](C)NCc1coc2ccccc12 ZINC000340299751 386251610 /nfs/dbraw/zinc/25/16/10/386251610.db2.gz HJHSIQVEHCEUTK-NSHDSACASA-N 0 3 247.338 3.336 20 0 BGADHN C[C@H](NCC1(C2CC2)CC1)c1ccncc1F ZINC000340309584 386280017 /nfs/dbraw/zinc/28/00/17/386280017.db2.gz QJXCHOORZZLYHT-JTQLQIEISA-N 0 3 234.318 3.062 20 0 BGADHN C[C@@H](NCC1(C2CC2)CC1)c1ccncc1F ZINC000340309586 386280148 /nfs/dbraw/zinc/28/01/48/386280148.db2.gz QJXCHOORZZLYHT-SNVBAGLBSA-N 0 3 234.318 3.062 20 0 BGADHN C[C@@H](NCC1(C2CC2)CCC1)c1ccncc1F ZINC000340310358 386282587 /nfs/dbraw/zinc/28/25/87/386282587.db2.gz VIKQCNUTRSSEJS-LLVKDONJSA-N 0 3 248.345 3.452 20 0 BGADHN C[C@H](NCC1(C2CC2)CCC1)c1ccncc1F ZINC000340310360 386282902 /nfs/dbraw/zinc/28/29/02/386282902.db2.gz VIKQCNUTRSSEJS-NSHDSACASA-N 0 3 248.345 3.452 20 0 BGADHN C[C@H](NCC12CCC(CC1)C2)c1ccncc1F ZINC000340311835 398085691 /nfs/dbraw/zinc/08/56/91/398085691.db2.gz HARDOGACNKAOSS-BZUNDVKYSA-N 0 3 248.345 3.452 20 0 BGADHN C[C@@H](NCC12CCC(CC1)C2)c1ccncc1F ZINC000340311836 175868342 /nfs/dbraw/zinc/86/83/42/175868342.db2.gz HARDOGACNKAOSS-XIKARTHZSA-N 0 3 248.345 3.452 20 0 BGADHN c1nc(CN[C@@H]2CCCCC23CCCC3)co1 ZINC000340331734 388489586 /nfs/dbraw/zinc/48/95/86/388489586.db2.gz AMOOQJLCVZAVLS-CYBMUJFWSA-N 0 3 234.343 3.267 20 0 BGADHN c1nc(CN[C@H]2CCCCC23CCCC3)co1 ZINC000340331735 388489441 /nfs/dbraw/zinc/48/94/41/388489441.db2.gz AMOOQJLCVZAVLS-ZDUSSCGKSA-N 0 3 234.343 3.267 20 0 BGADHN C[C@H](NC[C@H]1CCC[C@H]1C)c1ccncc1F ZINC000340378701 386535730 /nfs/dbraw/zinc/53/57/30/386535730.db2.gz GJBPDJYZUPNXIU-GRYCIOLGSA-N 0 3 236.334 3.308 20 0 BGADHN C[C@H](NC[C@H]1CCC[C@@H]1C)c1ccncc1F ZINC000340378702 386536848 /nfs/dbraw/zinc/53/68/48/386536848.db2.gz GJBPDJYZUPNXIU-SDDRHHMPSA-N 0 3 236.334 3.308 20 0 BGADHN C[C@H](NC[C@@H]1CCC[C@@H]1C)c1ccncc1F ZINC000340378703 386536731 /nfs/dbraw/zinc/53/67/31/386536731.db2.gz GJBPDJYZUPNXIU-SRVKXCTJSA-N 0 3 236.334 3.308 20 0 BGADHN C[C@H](NC[C@@H]1CCC[C@H]1C)c1ccncc1F ZINC000340378704 176861270 /nfs/dbraw/zinc/86/12/70/176861270.db2.gz GJBPDJYZUPNXIU-WOPDTQHZSA-N 0 3 236.334 3.308 20 0 BGADHN C[C@H](N[C@H]1CC[C@@H]1C1CC1)c1ccncc1F ZINC000340379666 386546636 /nfs/dbraw/zinc/54/66/36/386546636.db2.gz PXWKQHOKGCJRAZ-BHYNMZESSA-N 0 3 234.318 3.060 20 0 BGADHN C[C@H](N[C@@H]1CC[C@H]1C1CC1)c1ccncc1F ZINC000340379667 386544654 /nfs/dbraw/zinc/54/46/54/386544654.db2.gz PXWKQHOKGCJRAZ-DUFXMDAXSA-N 0 3 234.318 3.060 20 0 BGADHN C[C@H](N[C@@H]1CC[C@@H]1C1CC1)c1ccncc1F ZINC000340379668 386546969 /nfs/dbraw/zinc/54/69/69/386546969.db2.gz PXWKQHOKGCJRAZ-MRCXROJRSA-N 0 3 234.318 3.060 20 0 BGADHN C[C@H](N[C@H]1CC[C@H]1C1CC1)c1ccncc1F ZINC000340379669 386546760 /nfs/dbraw/zinc/54/67/60/386546760.db2.gz PXWKQHOKGCJRAZ-WFBYXXMGSA-N 0 3 234.318 3.060 20 0 BGADHN C[C@H](NCCF)c1cccc(C2CC2)c1 ZINC000340379897 385051639 /nfs/dbraw/zinc/05/16/39/385051639.db2.gz YMMZUDJSBUVHFA-JTQLQIEISA-N 0 3 207.292 3.184 20 0 BGADHN C[C@@H](NCCF)c1cccc(C2CC2)c1 ZINC000340379898 385051406 /nfs/dbraw/zinc/05/14/06/385051406.db2.gz YMMZUDJSBUVHFA-SNVBAGLBSA-N 0 3 207.292 3.184 20 0 BGADHN C[C@H](NCCC1(F)CCC1)c1ccncc1F ZINC000340387225 386619265 /nfs/dbraw/zinc/61/92/65/386619265.db2.gz BUTCIMZQDYDNDX-JTQLQIEISA-N 0 3 240.297 3.154 20 0 BGADHN C[C@@H](NCCC1(F)CCC1)c1ccncc1F ZINC000340387228 386619426 /nfs/dbraw/zinc/61/94/26/386619426.db2.gz BUTCIMZQDYDNDX-SNVBAGLBSA-N 0 3 240.297 3.154 20 0 BGADHN COc1ccncc1CN[C@@H]1CC[C@H]1C(C)(C)C ZINC000340404271 175372237 /nfs/dbraw/zinc/37/22/37/175372237.db2.gz ZPUBONGGRRGRRW-CHWSQXEVSA-N 0 3 248.370 3.005 20 0 BGADHN COc1ccncc1CN[C@H]1CC[C@H]1C(C)(C)C ZINC000340404272 175374130 /nfs/dbraw/zinc/37/41/30/175374130.db2.gz ZPUBONGGRRGRRW-OLZOCXBDSA-N 0 3 248.370 3.005 20 0 BGADHN COc1ccncc1CN[C@@H]1CC[C@@H]1C(C)(C)C ZINC000340404273 175371640 /nfs/dbraw/zinc/37/16/40/175371640.db2.gz ZPUBONGGRRGRRW-QWHCGFSZSA-N 0 3 248.370 3.005 20 0 BGADHN COc1ccncc1CN[C@H]1CC[C@@H]1C(C)(C)C ZINC000340404274 175373367 /nfs/dbraw/zinc/37/33/67/175373367.db2.gz ZPUBONGGRRGRRW-STQMWFEESA-N 0 3 248.370 3.005 20 0 BGADHN CCn1ccnc1CN[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000340405171 172224294 /nfs/dbraw/zinc/22/42/94/172224294.db2.gz MAYFWOQSCJKKGI-CHWSQXEVSA-N 0 3 249.402 3.207 20 0 BGADHN CCn1ccnc1CN[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000340405172 172223794 /nfs/dbraw/zinc/22/37/94/172223794.db2.gz MAYFWOQSCJKKGI-OLZOCXBDSA-N 0 3 249.402 3.207 20 0 BGADHN CCn1ccnc1CN[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000340405173 172223624 /nfs/dbraw/zinc/22/36/24/172223624.db2.gz MAYFWOQSCJKKGI-QWHCGFSZSA-N 0 3 249.402 3.207 20 0 BGADHN CCn1ccnc1CN[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000340405174 172224577 /nfs/dbraw/zinc/22/45/77/172224577.db2.gz MAYFWOQSCJKKGI-STQMWFEESA-N 0 3 249.402 3.207 20 0 BGADHN C[C@H](NCC(C)(C)C(C)(C)C)c1ncc[nH]1 ZINC000340405469 384966213 /nfs/dbraw/zinc/96/62/13/384966213.db2.gz UNDJXVGIVZFVGP-JTQLQIEISA-N 0 3 223.364 3.133 20 0 BGADHN C[C@@H](NCC(C)(C)C(C)(C)C)c1ncc[nH]1 ZINC000340405470 384966532 /nfs/dbraw/zinc/96/65/32/384966532.db2.gz UNDJXVGIVZFVGP-SNVBAGLBSA-N 0 3 223.364 3.133 20 0 BGADHN CC[C@H](NCc1cnc(C)nc1)c1ccccc1 ZINC000340406536 386751478 /nfs/dbraw/zinc/75/14/78/386751478.db2.gz QRRYABBFRCTWCT-HNNXBMFYSA-N 0 3 241.338 3.026 20 0 BGADHN CC[C@@H](NCc1cnc(C)nc1)c1ccccc1 ZINC000340406540 352333324 /nfs/dbraw/zinc/33/33/24/352333324.db2.gz QRRYABBFRCTWCT-OAHLLOKOSA-N 0 3 241.338 3.026 20 0 BGADHN COc1ccncc1CN[C@H](C)CCC=C(C)C ZINC000340407379 175372953 /nfs/dbraw/zinc/37/29/53/175372953.db2.gz JNAWEPWFSHYJDE-CYBMUJFWSA-N 0 3 248.370 3.315 20 0 BGADHN COc1ccncc1CN[C@@H](C)CCC=C(C)C ZINC000340407380 175371716 /nfs/dbraw/zinc/37/17/16/175371716.db2.gz JNAWEPWFSHYJDE-ZDUSSCGKSA-N 0 3 248.370 3.315 20 0 BGADHN COc1ccncc1CN[C@H]1CCC[C@H]1C(C)C ZINC000340408815 175373537 /nfs/dbraw/zinc/37/35/37/175373537.db2.gz RFXKAEWQTPZDCV-KBPBESRZSA-N 0 3 248.370 3.005 20 0 BGADHN COc1ccncc1CN[C@H]1CCC[C@@H]1C(C)C ZINC000340408816 175373362 /nfs/dbraw/zinc/37/33/62/175373362.db2.gz RFXKAEWQTPZDCV-KGLIPLIRSA-N 0 3 248.370 3.005 20 0 BGADHN COc1ccncc1CN[C@@H]1CCC[C@H]1C(C)C ZINC000340408817 175371991 /nfs/dbraw/zinc/37/19/91/175371991.db2.gz RFXKAEWQTPZDCV-UONOGXRCSA-N 0 3 248.370 3.005 20 0 BGADHN COc1ccncc1CN[C@@H]1CCC[C@@H]1C(C)C ZINC000340408818 175372046 /nfs/dbraw/zinc/37/20/46/175372046.db2.gz RFXKAEWQTPZDCV-ZIAGYGMSSA-N 0 3 248.370 3.005 20 0 BGADHN COc1ccncc1CN[C@H](C)CC1CCCC1 ZINC000340409368 175373039 /nfs/dbraw/zinc/37/30/39/175373039.db2.gz VQGNKMNNQMIEKS-GFCCVEGCSA-N 0 3 248.370 3.149 20 0 BGADHN COc1ccncc1CN[C@@H](C)CC1CCCC1 ZINC000340409369 175372149 /nfs/dbraw/zinc/37/21/49/175372149.db2.gz VQGNKMNNQMIEKS-LBPRGKRZSA-N 0 3 248.370 3.149 20 0 BGADHN CC1(C)C[C@H]1NCc1cccc(OC(F)F)c1 ZINC000340410532 187349661 /nfs/dbraw/zinc/34/96/61/187349661.db2.gz KLRSODVPDDOQAY-LLVKDONJSA-N 0 3 241.281 3.176 20 0 BGADHN CC1(C)C[C@@H]1NCc1cccc(OC(F)F)c1 ZINC000340410533 386764935 /nfs/dbraw/zinc/76/49/35/386764935.db2.gz KLRSODVPDDOQAY-NSHDSACASA-N 0 3 241.281 3.176 20 0 BGADHN CC1(C)C[C@@H]1NCc1ccccc1OCC1CC1 ZINC000340412250 386773683 /nfs/dbraw/zinc/77/36/83/386773683.db2.gz YESHZHDMUOFRND-HNNXBMFYSA-N 0 3 245.366 3.364 20 0 BGADHN CC1(C)C[C@H]1NCc1ccccc1OCC1CC1 ZINC000340412253 352337968 /nfs/dbraw/zinc/33/79/68/352337968.db2.gz YESHZHDMUOFRND-OAHLLOKOSA-N 0 3 245.366 3.364 20 0 BGADHN CC[C@H](N[C@H]1CC2CCC1CC2)c1ccn(C)n1 ZINC000340422431 386800681 /nfs/dbraw/zinc/80/06/81/386800681.db2.gz GKRYURSAXWISFT-DVTFPSANSA-N 0 3 247.386 3.040 20 0 BGADHN CC[C@H](N[C@@H]1CC2CCC1CC2)c1ccn(C)n1 ZINC000340422432 386800481 /nfs/dbraw/zinc/80/04/81/386800481.db2.gz GKRYURSAXWISFT-NSOJWWLLSA-N 0 3 247.386 3.040 20 0 BGADHN CC[C@@H](N[C@H]1CC2CCC1CC2)c1ccn(C)n1 ZINC000340422433 352346967 /nfs/dbraw/zinc/34/69/67/352346967.db2.gz GKRYURSAXWISFT-SJQFEJMWSA-N 0 3 247.386 3.040 20 0 BGADHN CC[C@@H](N[C@@H]1CC2CCC1CC2)c1ccn(C)n1 ZINC000340422434 352347205 /nfs/dbraw/zinc/34/72/05/352347205.db2.gz GKRYURSAXWISFT-UJFKTDLFSA-N 0 3 247.386 3.040 20 0 BGADHN CCc1noc(C)c1CN[C@H]1CC[C@@H]1C1CCC1 ZINC000340439111 172081050 /nfs/dbraw/zinc/08/10/50/172081050.db2.gz HEEXTBPVVNVUPS-DOMZBBRYSA-N 0 3 248.370 3.214 20 0 BGADHN CCc1noc(C)c1CN[C@@H]1CC[C@@H]1C1CCC1 ZINC000340439112 172079727 /nfs/dbraw/zinc/07/97/27/172079727.db2.gz HEEXTBPVVNVUPS-IUODEOHRSA-N 0 3 248.370 3.214 20 0 BGADHN CCc1noc(C)c1CN[C@@H]1CC[C@H]1C1CCC1 ZINC000340439113 172079920 /nfs/dbraw/zinc/07/99/20/172079920.db2.gz HEEXTBPVVNVUPS-SWLSCSKDSA-N 0 3 248.370 3.214 20 0 BGADHN CCc1noc(C)c1CN[C@H]1CC[C@H]1C1CCC1 ZINC000340439114 172081020 /nfs/dbraw/zinc/08/10/20/172081020.db2.gz HEEXTBPVVNVUPS-WFASDCNBSA-N 0 3 248.370 3.214 20 0 BGADHN CCc1noc(C)c1CN[C@H]1CCC12CCCC2 ZINC000340439178 172080374 /nfs/dbraw/zinc/08/03/74/172080374.db2.gz ITAWASBXNWIJDL-AWEZNQCLSA-N 0 3 248.370 3.358 20 0 BGADHN CCc1noc(C)c1CN[C@@H]1CCC12CCCC2 ZINC000340439179 172079724 /nfs/dbraw/zinc/07/97/24/172079724.db2.gz ITAWASBXNWIJDL-CQSZACIVSA-N 0 3 248.370 3.358 20 0 BGADHN CCCC[C@H](C)NCc1c(CC)noc1C ZINC000340439788 343714622 /nfs/dbraw/zinc/71/46/22/343714622.db2.gz DMYBPEVOCIOENO-JTQLQIEISA-N 0 3 224.348 3.214 20 0 BGADHN CCCC[C@@H](C)NCc1c(CC)noc1C ZINC000340439789 343714403 /nfs/dbraw/zinc/71/44/03/343714403.db2.gz DMYBPEVOCIOENO-SNVBAGLBSA-N 0 3 224.348 3.214 20 0 BGADHN CCc1noc(C)c1CN[C@@H]1CCCC1(C)C ZINC000340440552 172079224 /nfs/dbraw/zinc/07/92/24/172079224.db2.gz DQSQDOIEPYZVKD-CYBMUJFWSA-N 0 3 236.359 3.214 20 0 BGADHN CCc1noc(C)c1CN[C@H]1CCCC1(C)C ZINC000340440553 172080934 /nfs/dbraw/zinc/08/09/34/172080934.db2.gz DQSQDOIEPYZVKD-ZDUSSCGKSA-N 0 3 236.359 3.214 20 0 BGADHN CCc1noc(C)c1CN[C@@H]1CCC(C)(C)C1 ZINC000340440920 172079560 /nfs/dbraw/zinc/07/95/60/172079560.db2.gz UNFHWNLPYFZXSA-LLVKDONJSA-N 0 3 236.359 3.214 20 0 BGADHN CCc1noc(C)c1CN[C@H]1CCC(C)(C)C1 ZINC000340440921 172080837 /nfs/dbraw/zinc/08/08/37/172080837.db2.gz UNFHWNLPYFZXSA-NSHDSACASA-N 0 3 236.359 3.214 20 0 BGADHN CCc1noc(C)c1CN[C@H](C)CCC(C)C ZINC000340442901 172079758 /nfs/dbraw/zinc/07/97/58/172079758.db2.gz QEQSRQYNYFSVMF-LLVKDONJSA-N 0 3 238.375 3.460 20 0 BGADHN CCc1noc(C)c1CN[C@@H](C)CCC(C)C ZINC000340442902 172079109 /nfs/dbraw/zinc/07/91/09/172079109.db2.gz QEQSRQYNYFSVMF-NSHDSACASA-N 0 3 238.375 3.460 20 0 BGADHN CCC[C@@H](CC)NCc1c(CC)noc1C ZINC000340443602 169379025 /nfs/dbraw/zinc/37/90/25/169379025.db2.gz XYYRQHXEBIHWRH-LLVKDONJSA-N 0 3 224.348 3.214 20 0 BGADHN CCC[C@H](CC)NCc1c(CC)noc1C ZINC000340443603 388491104 /nfs/dbraw/zinc/49/11/04/388491104.db2.gz XYYRQHXEBIHWRH-NSHDSACASA-N 0 3 224.348 3.214 20 0 BGADHN CCc1noc(C)c1CN[C@@H](C)CCC1CC1 ZINC000340443673 172079529 /nfs/dbraw/zinc/07/95/29/172079529.db2.gz JRRBSEJSUBNLTO-JTQLQIEISA-N 0 3 236.359 3.214 20 0 BGADHN CCc1noc(C)c1CN[C@H](C)CCC1CC1 ZINC000340443675 172079831 /nfs/dbraw/zinc/07/98/31/172079831.db2.gz JRRBSEJSUBNLTO-SNVBAGLBSA-N 0 3 236.359 3.214 20 0 BGADHN CCc1noc(C)c1CN[C@@H](C)C1CCCC1 ZINC000340443686 172078826 /nfs/dbraw/zinc/07/88/26/172078826.db2.gz JYWVDAHEDVYUAH-JTQLQIEISA-N 0 3 236.359 3.214 20 0 BGADHN CCc1noc(C)c1CN[C@H](C)C1CCCC1 ZINC000340443687 172078952 /nfs/dbraw/zinc/07/89/52/172078952.db2.gz JYWVDAHEDVYUAH-SNVBAGLBSA-N 0 3 236.359 3.214 20 0 BGADHN CCc1noc(C)c1CN[C@@H]1CCC[C@H]1CC ZINC000340444012 172078620 /nfs/dbraw/zinc/07/86/20/172078620.db2.gz MUPZVYDTYGIIQY-BXUZGUMPSA-N 0 3 236.359 3.214 20 0 BGADHN CCc1noc(C)c1CN[C@H]1CCC[C@@H]1CC ZINC000340444017 172081397 /nfs/dbraw/zinc/08/13/97/172081397.db2.gz MUPZVYDTYGIIQY-FZMZJTMJSA-N 0 3 236.359 3.214 20 0 BGADHN CCc1noc(C)c1CN[C@H]1CCC[C@H]1CC ZINC000340444021 172081017 /nfs/dbraw/zinc/08/10/17/172081017.db2.gz MUPZVYDTYGIIQY-RISCZKNCSA-N 0 3 236.359 3.214 20 0 BGADHN CCc1noc(C)c1CN[C@@H]1CCC[C@@H]1CC ZINC000340444026 172078961 /nfs/dbraw/zinc/07/89/61/172078961.db2.gz MUPZVYDTYGIIQY-SMDDNHRTSA-N 0 3 236.359 3.214 20 0 BGADHN CCc1noc(C)c1CN[C@@H]1CCC[C@@H]2C[C@@]21C ZINC000340445425 172079256 /nfs/dbraw/zinc/07/92/56/172079256.db2.gz YMUNYZALKJGYJE-DFBGVHRSSA-N 0 3 248.370 3.214 20 0 BGADHN CCc1noc(C)c1CN[C@@H]1CCC[C@H]2C[C@]21C ZINC000340445428 172079323 /nfs/dbraw/zinc/07/93/23/172079323.db2.gz YMUNYZALKJGYJE-NILFDRSVSA-N 0 3 248.370 3.214 20 0 BGADHN C[C@@H](N[C@@H](C)c1cc[nH]c(=O)c1)c1ccccc1 ZINC000340446336 176914684 /nfs/dbraw/zinc/91/46/84/176914684.db2.gz LYNXTXXQEVAFNN-NEPJUHHUSA-N 0 3 242.322 3.199 20 0 BGADHN C[C@@H](N[C@@H](C)c1ccccc1)c1cc[nH]c(=O)c1 ZINC000340446337 386905095 /nfs/dbraw/zinc/90/50/95/386905095.db2.gz LYNXTXXQEVAFNN-NWDGAFQWSA-N 0 3 242.322 3.199 20 0 BGADHN C[C@H](N[C@@H](C)c1cc[nH]c(=O)c1)c1ccccc1 ZINC000340446338 386905072 /nfs/dbraw/zinc/90/50/72/386905072.db2.gz LYNXTXXQEVAFNN-RYUDHWBXSA-N 0 3 242.322 3.199 20 0 BGADHN C[C@@H](N[C@H](C)c1cc[nH]c(=O)c1)c1ccccc1 ZINC000340446339 175921639 /nfs/dbraw/zinc/92/16/39/175921639.db2.gz LYNXTXXQEVAFNN-VXGBXAGGSA-N 0 3 242.322 3.199 20 0 BGADHN C[C@@H](N[C@H](C)c1cc[nH]c(=O)c1)c1cccs1 ZINC000340448544 385776789 /nfs/dbraw/zinc/77/67/89/385776789.db2.gz MUDQNYGUVSEYJJ-NXEZZACHSA-N 0 3 248.351 3.261 20 0 BGADHN C[C@H](N[C@@H](C)c1cc[nH]c(=O)c1)c1cccs1 ZINC000340448546 385778410 /nfs/dbraw/zinc/77/84/10/385778410.db2.gz MUDQNYGUVSEYJJ-UWVGGRQHSA-N 0 3 248.351 3.261 20 0 BGADHN C[C@@H](N[C@@H](C)c1cc[nH]c(=O)c1)c1cccs1 ZINC000340448547 385777167 /nfs/dbraw/zinc/77/71/67/385777167.db2.gz MUDQNYGUVSEYJJ-VHSXEESVSA-N 0 3 248.351 3.261 20 0 BGADHN C[C@@H](N[C@@H](C)c1cccs1)c1cc[nH]c(=O)c1 ZINC000340448548 385777003 /nfs/dbraw/zinc/77/70/03/385777003.db2.gz MUDQNYGUVSEYJJ-ZJUUUORDSA-N 0 3 248.351 3.261 20 0 BGADHN Cc1c([C@H](C)NC2CC(C(C)(C)C)C2)cnn1C ZINC000340449055 385798030 /nfs/dbraw/zinc/79/80/30/385798030.db2.gz CPIAITVZUWWISK-PKSQDBQZSA-N 0 3 249.402 3.204 20 0 BGADHN Cc1c([C@@H](C)NC2CC(C(C)(C)C)C2)cnn1C ZINC000340449056 385796740 /nfs/dbraw/zinc/79/67/40/385796740.db2.gz CPIAITVZUWWISK-QFWMXSHPSA-N 0 3 249.402 3.204 20 0 BGADHN Cc1cc([C@H](C)NC2CC(C(C)(C)C)C2)nn1C ZINC000340451909 178245286 /nfs/dbraw/zinc/24/52/86/178245286.db2.gz OMIGVXAVCVKHDR-HIFPTAJRSA-N 0 3 249.402 3.204 20 0 BGADHN Cc1cc([C@@H](C)NC2CC(C(C)(C)C)C2)nn1C ZINC000340451910 178222592 /nfs/dbraw/zinc/22/25/92/178222592.db2.gz OMIGVXAVCVKHDR-PNESKVBLSA-N 0 3 249.402 3.204 20 0 BGADHN Cc1nccnc1[C@H](C)NC1CC(C(C)(C)C)C1 ZINC000340452592 180282440 /nfs/dbraw/zinc/28/24/40/180282440.db2.gz XJDLUWCVYBRAIE-HIFPTAJRSA-N 0 3 247.386 3.260 20 0 BGADHN Cc1nccnc1[C@@H](C)NC1CC(C(C)(C)C)C1 ZINC000340452593 180279260 /nfs/dbraw/zinc/27/92/60/180279260.db2.gz XJDLUWCVYBRAIE-PNESKVBLSA-N 0 3 247.386 3.260 20 0 BGADHN Cc1nn(C)cc1[C@H](C)NC1CC(C(C)(C)C)C1 ZINC000340452866 180380523 /nfs/dbraw/zinc/38/05/23/180380523.db2.gz ASMBOHDTWKJWCX-PKSQDBQZSA-N 0 3 249.402 3.204 20 0 BGADHN Cc1nn(C)cc1[C@@H](C)NC1CC(C(C)(C)C)C1 ZINC000340452867 180379055 /nfs/dbraw/zinc/37/90/55/180379055.db2.gz ASMBOHDTWKJWCX-QFWMXSHPSA-N 0 3 249.402 3.204 20 0 BGADHN CC[C@H](NC1CC(C(C)(C)C)C1)c1nccn1C ZINC000340453829 171514261 /nfs/dbraw/zinc/51/42/61/171514261.db2.gz KKXUKOXMWNFHPG-BPCQOVAHSA-N 0 3 249.402 3.286 20 0 BGADHN CC[C@@H](NC1CC(C(C)(C)C)C1)c1nccn1C ZINC000340453830 385815860 /nfs/dbraw/zinc/81/58/60/385815860.db2.gz KKXUKOXMWNFHPG-WXRRBKDZSA-N 0 3 249.402 3.286 20 0 BGADHN CCn1cc([C@@H](C)NC2CC(C(C)(C)C)C2)cn1 ZINC000340454612 172192272 /nfs/dbraw/zinc/19/22/72/172192272.db2.gz OUQIKARMGKFKLC-LMWSTFAQSA-N 0 3 249.402 3.378 20 0 BGADHN CCn1cc([C@H](C)NC2CC(C(C)(C)C)C2)cn1 ZINC000340454613 172196189 /nfs/dbraw/zinc/19/61/89/172196189.db2.gz OUQIKARMGKFKLC-XGNXJENSSA-N 0 3 249.402 3.378 20 0 BGADHN C[C@@H](F)CCN[C@@H](C)c1ccc(Cl)cn1 ZINC000340456954 388490760 /nfs/dbraw/zinc/49/07/60/388490760.db2.gz AHZWHEWAIYHIDR-BDAKNGLRSA-N 0 3 230.714 3.134 20 0 BGADHN C[C@@H](NCC[C@H](C)F)c1ccc(Cl)cn1 ZINC000340456955 388490993 /nfs/dbraw/zinc/49/09/93/388490993.db2.gz AHZWHEWAIYHIDR-DTWKUNHWSA-N 0 3 230.714 3.134 20 0 BGADHN C[C@H](F)CCN[C@@H](C)c1ccc(Cl)cn1 ZINC000340456956 388490728 /nfs/dbraw/zinc/49/07/28/388490728.db2.gz AHZWHEWAIYHIDR-IUCAKERBSA-N 0 3 230.714 3.134 20 0 BGADHN C[C@@H](F)CCN[C@H](C)c1ccc(Cl)cn1 ZINC000340456957 388491019 /nfs/dbraw/zinc/49/10/19/388491019.db2.gz AHZWHEWAIYHIDR-RKDXNWHRSA-N 0 3 230.714 3.134 20 0 BGADHN CC(C)[C@H](NCC[C@H](C)F)c1ccc(F)cn1 ZINC000340456971 187350060 /nfs/dbraw/zinc/35/00/60/187350060.db2.gz ASRFFPJNWWHUBQ-GWCFXTLKSA-N 0 3 242.313 3.256 20 0 BGADHN CC(C)[C@@H](NCC[C@H](C)F)c1ccc(F)cn1 ZINC000340456972 385834755 /nfs/dbraw/zinc/83/47/55/385834755.db2.gz ASRFFPJNWWHUBQ-GXFFZTMASA-N 0 3 242.313 3.256 20 0 BGADHN CC(C)[C@H](NCC[C@@H](C)F)c1ccc(F)cn1 ZINC000340456973 188038588 /nfs/dbraw/zinc/03/85/88/188038588.db2.gz ASRFFPJNWWHUBQ-MFKMUULPSA-N 0 3 242.313 3.256 20 0 BGADHN CC(C)[C@@H](NCC[C@@H](C)F)c1ccc(F)cn1 ZINC000340456974 385834958 /nfs/dbraw/zinc/83/49/58/385834958.db2.gz ASRFFPJNWWHUBQ-ZWNOBZJWSA-N 0 3 242.313 3.256 20 0 BGADHN C[C@@H](F)CCN[C@@H](C)c1cc(F)cc(F)c1 ZINC000340457284 176852041 /nfs/dbraw/zinc/85/20/41/176852041.db2.gz AMWGQMGISGJVMB-BDAKNGLRSA-N 0 3 231.261 3.364 20 0 BGADHN C[C@@H](NCC[C@H](C)F)c1cc(F)cc(F)c1 ZINC000340457289 385063364 /nfs/dbraw/zinc/06/33/64/385063364.db2.gz AMWGQMGISGJVMB-DTWKUNHWSA-N 0 3 231.261 3.364 20 0 BGADHN C[C@H](F)CCN[C@@H](C)c1cc(F)cc(F)c1 ZINC000340457290 385060818 /nfs/dbraw/zinc/06/08/18/385060818.db2.gz AMWGQMGISGJVMB-IUCAKERBSA-N 0 3 231.261 3.364 20 0 BGADHN C[C@@H](F)CCN[C@H](C)c1cc(F)cc(F)c1 ZINC000340457291 385062167 /nfs/dbraw/zinc/06/21/67/385062167.db2.gz AMWGQMGISGJVMB-RKDXNWHRSA-N 0 3 231.261 3.364 20 0 BGADHN CCc1ccc([C@@H](C)NCC[C@@H](C)F)o1 ZINC000340457324 171829589 /nfs/dbraw/zinc/82/95/89/171829589.db2.gz BBYNBPHGEIIKRX-NXEZZACHSA-N 0 3 213.296 3.241 20 0 BGADHN CCc1ccc([C@H](C)NCC[C@H](C)F)o1 ZINC000340457325 385062970 /nfs/dbraw/zinc/06/29/70/385062970.db2.gz BBYNBPHGEIIKRX-UWVGGRQHSA-N 0 3 213.296 3.241 20 0 BGADHN CCc1ccc([C@@H](C)NCC[C@H](C)F)o1 ZINC000340457326 385061746 /nfs/dbraw/zinc/06/17/46/385061746.db2.gz BBYNBPHGEIIKRX-VHSXEESVSA-N 0 3 213.296 3.241 20 0 BGADHN CCc1ccc([C@H](C)NCC[C@@H](C)F)o1 ZINC000340457327 171839203 /nfs/dbraw/zinc/83/92/03/171839203.db2.gz BBYNBPHGEIIKRX-ZJUUUORDSA-N 0 3 213.296 3.241 20 0 BGADHN COc1ccsc1[C@H](C)NCC[C@@H](C)F ZINC000340457334 175380010 /nfs/dbraw/zinc/38/00/10/175380010.db2.gz BEHWNDFTEBCUMW-BDAKNGLRSA-N 0 3 231.336 3.155 20 0 BGADHN COc1ccsc1[C@@H](C)NCC[C@H](C)F ZINC000340457335 175379397 /nfs/dbraw/zinc/37/93/97/175379397.db2.gz BEHWNDFTEBCUMW-DTWKUNHWSA-N 0 3 231.336 3.155 20 0 BGADHN COc1ccsc1[C@H](C)NCC[C@H](C)F ZINC000340457336 175379677 /nfs/dbraw/zinc/37/96/77/175379677.db2.gz BEHWNDFTEBCUMW-IUCAKERBSA-N 0 3 231.336 3.155 20 0 BGADHN COc1ccsc1[C@@H](C)NCC[C@@H](C)F ZINC000340457337 175379394 /nfs/dbraw/zinc/37/93/94/175379394.db2.gz BEHWNDFTEBCUMW-RKDXNWHRSA-N 0 3 231.336 3.155 20 0 BGADHN COc1ccc(C)cc1[C@H](C)NCC[C@@H](C)F ZINC000340457352 175081069 /nfs/dbraw/zinc/08/10/69/175081069.db2.gz BRANLFXPLDALFF-NEPJUHHUSA-N 0 3 239.334 3.402 20 0 BGADHN COc1ccc(C)cc1[C@@H](C)NCC[C@H](C)F ZINC000340457353 175079025 /nfs/dbraw/zinc/07/90/25/175079025.db2.gz BRANLFXPLDALFF-NWDGAFQWSA-N 0 3 239.334 3.402 20 0 BGADHN COc1ccc(C)cc1[C@H](C)NCC[C@H](C)F ZINC000340457354 175081210 /nfs/dbraw/zinc/08/12/10/175081210.db2.gz BRANLFXPLDALFF-RYUDHWBXSA-N 0 3 239.334 3.402 20 0 BGADHN COc1ccc(C)cc1[C@@H](C)NCC[C@@H](C)F ZINC000340457357 175079426 /nfs/dbraw/zinc/07/94/26/175079426.db2.gz BRANLFXPLDALFF-VXGBXAGGSA-N 0 3 239.334 3.402 20 0 BGADHN Cc1c([C@@H](C)NCC[C@@H](C)F)cnn1C(C)C ZINC000340458387 385833479 /nfs/dbraw/zinc/83/34/79/385833479.db2.gz GFUOMXAJAWHHAA-GHMZBOCLSA-N 0 3 241.354 3.171 20 0 BGADHN Cc1c([C@H](C)NCC[C@@H](C)F)cnn1C(C)C ZINC000340458389 177633167 /nfs/dbraw/zinc/63/31/67/177633167.db2.gz GFUOMXAJAWHHAA-MNOVXSKESA-N 0 3 241.354 3.171 20 0 BGADHN Cc1c([C@H](C)NCC[C@H](C)F)cnn1C(C)C ZINC000340458391 385833201 /nfs/dbraw/zinc/83/32/01/385833201.db2.gz GFUOMXAJAWHHAA-QWRGUYRKSA-N 0 3 241.354 3.171 20 0 BGADHN Cc1c([C@@H](C)NCC[C@H](C)F)cnn1C(C)C ZINC000340458393 177628074 /nfs/dbraw/zinc/62/80/74/177628074.db2.gz GFUOMXAJAWHHAA-WDEREUQCSA-N 0 3 241.354 3.171 20 0 BGADHN Cc1cc([C@@H](C)NCC[C@@H](C)F)oc1C ZINC000340458396 178225264 /nfs/dbraw/zinc/22/52/64/178225264.db2.gz GGTMTXTYMOQYMG-NXEZZACHSA-N 0 3 213.296 3.295 20 0 BGADHN Cc1cc([C@H](C)NCC[C@H](C)F)oc1C ZINC000340458398 178249274 /nfs/dbraw/zinc/24/92/74/178249274.db2.gz GGTMTXTYMOQYMG-UWVGGRQHSA-N 0 3 213.296 3.295 20 0 BGADHN Cc1cc([C@@H](C)NCC[C@H](C)F)oc1C ZINC000340458400 178223713 /nfs/dbraw/zinc/22/37/13/178223713.db2.gz GGTMTXTYMOQYMG-VHSXEESVSA-N 0 3 213.296 3.295 20 0 BGADHN Cc1cc([C@H](C)NCC[C@@H](C)F)oc1C ZINC000340458402 178249224 /nfs/dbraw/zinc/24/92/24/178249224.db2.gz GGTMTXTYMOQYMG-ZJUUUORDSA-N 0 3 213.296 3.295 20 0 BGADHN CCC[C@H](NCC[C@@H](C)F)c1ccccn1 ZINC000340459090 385067977 /nfs/dbraw/zinc/06/79/77/385067977.db2.gz HBJPAEPLUKEZPU-NEPJUHHUSA-N 0 3 224.323 3.261 20 0 BGADHN CCC[C@@H](NCC[C@H](C)F)c1ccccn1 ZINC000340459102 385068898 /nfs/dbraw/zinc/06/88/98/385068898.db2.gz HBJPAEPLUKEZPU-NWDGAFQWSA-N 0 3 224.323 3.261 20 0 BGADHN CCC[C@H](NCC[C@H](C)F)c1ccccn1 ZINC000340459103 385068341 /nfs/dbraw/zinc/06/83/41/385068341.db2.gz HBJPAEPLUKEZPU-RYUDHWBXSA-N 0 3 224.323 3.261 20 0 BGADHN CCC[C@@H](NCC[C@@H](C)F)c1ccccn1 ZINC000340459105 385070170 /nfs/dbraw/zinc/07/01/70/385070170.db2.gz HBJPAEPLUKEZPU-VXGBXAGGSA-N 0 3 224.323 3.261 20 0 BGADHN C[C@@H](F)CCN[C@H]1CCc2c1c(F)ccc2F ZINC000340459214 385842282 /nfs/dbraw/zinc/84/22/82/385842282.db2.gz CNLBZIPCPLMVRQ-PELKAZGASA-N 0 3 243.272 3.290 20 0 BGADHN C[C@@H](F)CCN[C@@H]1CCc2c1c(F)ccc2F ZINC000340459216 385843046 /nfs/dbraw/zinc/84/30/46/385843046.db2.gz CNLBZIPCPLMVRQ-PRHODGIISA-N 0 3 243.272 3.290 20 0 BGADHN C[C@H](F)CCN[C@@H]1CCc2c1c(F)ccc2F ZINC000340459219 385842355 /nfs/dbraw/zinc/84/23/55/385842355.db2.gz CNLBZIPCPLMVRQ-QPUJVOFHSA-N 0 3 243.272 3.290 20 0 BGADHN C[C@H](F)CCN[C@H]1CCc2c1c(F)ccc2F ZINC000340459222 385842885 /nfs/dbraw/zinc/84/28/85/385842885.db2.gz CNLBZIPCPLMVRQ-UFBFGSQYSA-N 0 3 243.272 3.290 20 0 BGADHN C[C@@H](F)CCN[C@@H](C)c1nc2c(s1)CCC2 ZINC000340460270 385066274 /nfs/dbraw/zinc/06/62/74/385066274.db2.gz MPDHMDCCKVBBLH-BDAKNGLRSA-N 0 3 242.363 3.031 20 0 BGADHN C[C@@H](NCC[C@H](C)F)c1nc2c(s1)CCC2 ZINC000340460274 385065962 /nfs/dbraw/zinc/06/59/62/385065962.db2.gz MPDHMDCCKVBBLH-DTWKUNHWSA-N 0 3 242.363 3.031 20 0 BGADHN C[C@H](F)CCN[C@@H](C)c1nc2c(s1)CCC2 ZINC000340460275 385066385 /nfs/dbraw/zinc/06/63/85/385066385.db2.gz MPDHMDCCKVBBLH-IUCAKERBSA-N 0 3 242.363 3.031 20 0 BGADHN C[C@@H](F)CCN[C@H](C)c1nc2c(s1)CCC2 ZINC000340460276 385064770 /nfs/dbraw/zinc/06/47/70/385064770.db2.gz MPDHMDCCKVBBLH-RKDXNWHRSA-N 0 3 242.363 3.031 20 0 BGADHN CC[C@H](NCC[C@H](C)F)c1ccccc1OC ZINC000340460998 385841758 /nfs/dbraw/zinc/84/17/58/385841758.db2.gz KXRGXJJJQKXBSR-AAEUAGOBSA-N 0 3 239.334 3.484 20 0 BGADHN CC[C@@H](NCC[C@@H](C)F)c1ccccc1OC ZINC000340460999 170896430 /nfs/dbraw/zinc/89/64/30/170896430.db2.gz KXRGXJJJQKXBSR-DGCLKSJQSA-N 0 3 239.334 3.484 20 0 BGADHN CC[C@@H](NCC[C@H](C)F)c1ccccc1OC ZINC000340461000 385841336 /nfs/dbraw/zinc/84/13/36/385841336.db2.gz KXRGXJJJQKXBSR-WCQYABFASA-N 0 3 239.334 3.484 20 0 BGADHN CC[C@H](NCC[C@@H](C)F)c1ccccc1OC ZINC000340461005 385841685 /nfs/dbraw/zinc/84/16/85/385841685.db2.gz KXRGXJJJQKXBSR-YPMHNXCESA-N 0 3 239.334 3.484 20 0 BGADHN COc1ccc(F)cc1[C@@H](C)NCC[C@@H](C)F ZINC000340464220 175132086 /nfs/dbraw/zinc/13/20/86/175132086.db2.gz IANCRXVCQLJMKN-NXEZZACHSA-N 0 3 243.297 3.233 20 0 BGADHN COc1ccc(F)cc1[C@H](C)NCC[C@H](C)F ZINC000340464222 175133297 /nfs/dbraw/zinc/13/32/97/175133297.db2.gz IANCRXVCQLJMKN-UWVGGRQHSA-N 0 3 243.297 3.233 20 0 BGADHN COc1ccc(F)cc1[C@@H](C)NCC[C@H](C)F ZINC000340464226 175132837 /nfs/dbraw/zinc/13/28/37/175132837.db2.gz IANCRXVCQLJMKN-VHSXEESVSA-N 0 3 243.297 3.233 20 0 BGADHN COc1ccc(F)cc1[C@H](C)NCC[C@@H](C)F ZINC000340464230 175133057 /nfs/dbraw/zinc/13/30/57/175133057.db2.gz IANCRXVCQLJMKN-ZJUUUORDSA-N 0 3 243.297 3.233 20 0 BGADHN CC[C@@H](NCC[C@H](C)F)c1ccc(F)cn1 ZINC000340465761 170896881 /nfs/dbraw/zinc/89/68/81/170896881.db2.gz XNIXAXLCWVURMH-GXSJLCMTSA-N 0 3 228.286 3.010 20 0 BGADHN CC[C@H](NCC[C@@H](C)F)c1ccc(F)cn1 ZINC000340465768 385064342 /nfs/dbraw/zinc/06/43/42/385064342.db2.gz XNIXAXLCWVURMH-KOLCDFICSA-N 0 3 228.286 3.010 20 0 BGADHN CC[C@@H](NCC[C@@H](C)F)c1ccc(F)cn1 ZINC000340465801 385065489 /nfs/dbraw/zinc/06/54/89/385065489.db2.gz XNIXAXLCWVURMH-MWLCHTKSSA-N 0 3 228.286 3.010 20 0 BGADHN CC[C@H](NCC[C@H](C)F)c1ccc(F)cn1 ZINC000340465803 385064856 /nfs/dbraw/zinc/06/48/56/385064856.db2.gz XNIXAXLCWVURMH-ONGXEEELSA-N 0 3 228.286 3.010 20 0 BGADHN CCc1cccnc1[C@@H](C)NCC[C@@H](C)F ZINC000340468358 385065884 /nfs/dbraw/zinc/06/58/84/385065884.db2.gz RYVHVGMZDWWGOB-GHMZBOCLSA-N 0 3 224.323 3.043 20 0 BGADHN CCc1cccnc1[C@H](C)NCC[C@@H](C)F ZINC000340468359 385066835 /nfs/dbraw/zinc/06/68/35/385066835.db2.gz RYVHVGMZDWWGOB-MNOVXSKESA-N 0 3 224.323 3.043 20 0 BGADHN CCc1cccnc1[C@H](C)NCC[C@H](C)F ZINC000340468360 343715888 /nfs/dbraw/zinc/71/58/88/343715888.db2.gz RYVHVGMZDWWGOB-QWRGUYRKSA-N 0 3 224.323 3.043 20 0 BGADHN CCc1cccnc1[C@@H](C)NCC[C@H](C)F ZINC000340468361 385066464 /nfs/dbraw/zinc/06/64/64/385066464.db2.gz RYVHVGMZDWWGOB-WDEREUQCSA-N 0 3 224.323 3.043 20 0 BGADHN CCOc1ccccc1[C@H](C)NCC[C@@H](C)F ZINC000340469501 385859799 /nfs/dbraw/zinc/85/97/99/385859799.db2.gz VXONCODQMZRBPY-NEPJUHHUSA-N 0 3 239.334 3.484 20 0 BGADHN CCOc1ccccc1[C@@H](C)NCC[C@H](C)F ZINC000340469508 385859586 /nfs/dbraw/zinc/85/95/86/385859586.db2.gz VXONCODQMZRBPY-NWDGAFQWSA-N 0 3 239.334 3.484 20 0 BGADHN CCOc1ccccc1[C@H](C)NCC[C@H](C)F ZINC000340469511 385860037 /nfs/dbraw/zinc/86/00/37/385860037.db2.gz VXONCODQMZRBPY-RYUDHWBXSA-N 0 3 239.334 3.484 20 0 BGADHN CCOc1ccccc1[C@@H](C)NCC[C@@H](C)F ZINC000340469514 385859898 /nfs/dbraw/zinc/85/98/98/385859898.db2.gz VXONCODQMZRBPY-VXGBXAGGSA-N 0 3 239.334 3.484 20 0 BGADHN C[C@@H](F)CCN[C@@H](c1cncc(F)c1)C1CC1 ZINC000340469852 385861995 /nfs/dbraw/zinc/86/19/95/385861995.db2.gz YSAFBRDETGVSTE-NOZJJQNGSA-N 0 3 240.297 3.010 20 0 BGADHN C[C@@H](F)CCN[C@H](c1cncc(F)c1)C1CC1 ZINC000340469853 385862022 /nfs/dbraw/zinc/86/20/22/385862022.db2.gz YSAFBRDETGVSTE-RNCFNFMXSA-N 0 3 240.297 3.010 20 0 BGADHN C[C@H](F)CCN[C@@H](c1cncc(F)c1)C1CC1 ZINC000340469854 385862007 /nfs/dbraw/zinc/86/20/07/385862007.db2.gz YSAFBRDETGVSTE-TVQRCGJNSA-N 0 3 240.297 3.010 20 0 BGADHN C[C@H](F)CCN[C@H](c1cncc(F)c1)C1CC1 ZINC000340469855 385861680 /nfs/dbraw/zinc/86/16/80/385861680.db2.gz YSAFBRDETGVSTE-ZANVPECISA-N 0 3 240.297 3.010 20 0 BGADHN COc1ccc([C@@H](C)NCC[C@@H](C)F)c(F)c1 ZINC000340470536 175176588 /nfs/dbraw/zinc/17/65/88/175176588.db2.gz OYQDWKMWJPOQLE-NXEZZACHSA-N 0 3 243.297 3.233 20 0 BGADHN COc1ccc([C@H](C)NCC[C@H](C)F)c(F)c1 ZINC000340470537 175188756 /nfs/dbraw/zinc/18/87/56/175188756.db2.gz OYQDWKMWJPOQLE-UWVGGRQHSA-N 0 3 243.297 3.233 20 0 BGADHN COc1ccc([C@@H](C)NCC[C@H](C)F)c(F)c1 ZINC000340470539 175177371 /nfs/dbraw/zinc/17/73/71/175177371.db2.gz OYQDWKMWJPOQLE-VHSXEESVSA-N 0 3 243.297 3.233 20 0 BGADHN COc1ccc([C@H](C)NCC[C@@H](C)F)c(F)c1 ZINC000340470540 175188622 /nfs/dbraw/zinc/18/86/22/175188622.db2.gz OYQDWKMWJPOQLE-ZJUUUORDSA-N 0 3 243.297 3.233 20 0 BGADHN COc1cccc(F)c1[C@@H](C)NCC[C@@H](C)F ZINC000340471412 175274670 /nfs/dbraw/zinc/27/46/70/175274670.db2.gz WLKYQDXXXPGQJD-NXEZZACHSA-N 0 3 243.297 3.233 20 0 BGADHN COc1cccc(F)c1[C@H](C)NCC[C@H](C)F ZINC000340471414 175274104 /nfs/dbraw/zinc/27/41/04/175274104.db2.gz WLKYQDXXXPGQJD-UWVGGRQHSA-N 0 3 243.297 3.233 20 0 BGADHN COc1cccc(F)c1[C@@H](C)NCC[C@H](C)F ZINC000340471415 175274327 /nfs/dbraw/zinc/27/43/27/175274327.db2.gz WLKYQDXXXPGQJD-VHSXEESVSA-N 0 3 243.297 3.233 20 0 BGADHN COc1cccc(F)c1[C@H](C)NCC[C@@H](C)F ZINC000340471418 175274011 /nfs/dbraw/zinc/27/40/11/175274011.db2.gz WLKYQDXXXPGQJD-ZJUUUORDSA-N 0 3 243.297 3.233 20 0 BGADHN CC(C)C1(N[C@@H](C)c2ccncc2F)CC1 ZINC000340478424 385067837 /nfs/dbraw/zinc/06/78/37/385067837.db2.gz KQAGUBZOHPCNSZ-JTQLQIEISA-N 0 3 222.307 3.060 20 0 BGADHN CC(C)C1(N[C@H](C)c2ccncc2F)CC1 ZINC000340478425 385068100 /nfs/dbraw/zinc/06/81/00/385068100.db2.gz KQAGUBZOHPCNSZ-SNVBAGLBSA-N 0 3 222.307 3.060 20 0 BGADHN C[C@@H]1C[C@@H](NCc2c(F)cc(F)cc2F)[C@H]1C ZINC000340484518 385912646 /nfs/dbraw/zinc/91/26/46/385912646.db2.gz AWDXOZZQBNHABR-BFHDXFOESA-N 0 3 243.272 3.238 20 0 BGADHN C[C@@H]1C[C@@H](NCc2c(F)cc(F)cc2F)[C@@H]1C ZINC000340484520 176377353 /nfs/dbraw/zinc/37/73/53/176377353.db2.gz AWDXOZZQBNHABR-OTPXZMOZSA-N 0 3 243.272 3.238 20 0 BGADHN C[C@@H]1C[C@H](NCc2c(F)cc(F)cc2F)[C@@H]1C ZINC000340484521 385912050 /nfs/dbraw/zinc/91/20/50/385912050.db2.gz AWDXOZZQBNHABR-RBDZCENOSA-N 0 3 243.272 3.238 20 0 BGADHN C[C@@H]1C[C@H](NCc2c(F)cc(F)cc2F)[C@H]1C ZINC000340484522 385912472 /nfs/dbraw/zinc/91/24/72/385912472.db2.gz AWDXOZZQBNHABR-UJVNDKKSSA-N 0 3 243.272 3.238 20 0 BGADHN C[C@@H](NCc1c(F)cc(F)cc1F)C1CCC1 ZINC000340486899 385923371 /nfs/dbraw/zinc/92/33/71/385923371.db2.gz LFTFRMGCJQGMHV-MRVPVSSYSA-N 0 3 243.272 3.382 20 0 BGADHN C[C@H](NCc1c(F)cc(F)cc1F)C1CCC1 ZINC000340486900 385925390 /nfs/dbraw/zinc/92/53/90/385925390.db2.gz LFTFRMGCJQGMHV-QMMMGPOBSA-N 0 3 243.272 3.382 20 0 BGADHN Cc1cccc(C)c1[C@@H](C)N[C@H](C)c1cn[nH]c1 ZINC000340490521 179049285 /nfs/dbraw/zinc/04/92/85/179049285.db2.gz HMGIXPGPAARWAH-CHWSQXEVSA-N 0 3 243.354 3.438 20 0 BGADHN Cc1cccc(C)c1[C@H](C)N[C@H](C)c1cn[nH]c1 ZINC000340490530 179049416 /nfs/dbraw/zinc/04/94/16/179049416.db2.gz HMGIXPGPAARWAH-OLZOCXBDSA-N 0 3 243.354 3.438 20 0 BGADHN Cc1cccc(C)c1[C@@H](C)N[C@@H](C)c1cn[nH]c1 ZINC000340490531 179048881 /nfs/dbraw/zinc/04/88/81/179048881.db2.gz HMGIXPGPAARWAH-QWHCGFSZSA-N 0 3 243.354 3.438 20 0 BGADHN Cc1cccc(C)c1[C@H](C)N[C@@H](C)c1cn[nH]c1 ZINC000340490533 179049552 /nfs/dbraw/zinc/04/95/52/179049552.db2.gz HMGIXPGPAARWAH-STQMWFEESA-N 0 3 243.354 3.438 20 0 BGADHN CC(C)[C@@H](C)NCc1c(F)cc(F)cc1F ZINC000340490924 167382819 /nfs/dbraw/zinc/38/28/19/167382819.db2.gz SQTFYPLXJORDRM-MRVPVSSYSA-N 0 3 231.261 3.238 20 0 BGADHN CC(C)[C@H](C)NCc1c(F)cc(F)cc1F ZINC000340490927 188354734 /nfs/dbraw/zinc/35/47/34/188354734.db2.gz SQTFYPLXJORDRM-QMMMGPOBSA-N 0 3 231.261 3.238 20 0 BGADHN CC[C@@H]1CC[C@H]1NCc1c(F)cc(F)cc1F ZINC000340492238 171059628 /nfs/dbraw/zinc/05/96/28/171059628.db2.gz XZWBZLASHZQARF-AMIZOPFISA-N 0 3 243.272 3.382 20 0 BGADHN CC[C@H]1CC[C@H]1NCc1c(F)cc(F)cc1F ZINC000340492241 385966074 /nfs/dbraw/zinc/96/60/74/385966074.db2.gz XZWBZLASHZQARF-ISVAXAHUSA-N 0 3 243.272 3.382 20 0 BGADHN CC[C@@H]1CC[C@@H]1NCc1c(F)cc(F)cc1F ZINC000340492242 171044056 /nfs/dbraw/zinc/04/40/56/171044056.db2.gz XZWBZLASHZQARF-OQPBUACISA-N 0 3 243.272 3.382 20 0 BGADHN CC[C@H]1CC[C@@H]1NCc1c(F)cc(F)cc1F ZINC000340492243 385968069 /nfs/dbraw/zinc/96/80/69/385968069.db2.gz XZWBZLASHZQARF-SDBXPKJASA-N 0 3 243.272 3.382 20 0 BGADHN C[C@H](NC[C@@H]1CC[C@@H](C)C1)c1ccncc1F ZINC000340498272 386000185 /nfs/dbraw/zinc/00/01/85/386000185.db2.gz LQTXXMQAEAXOJN-GRYCIOLGSA-N 0 3 236.334 3.308 20 0 BGADHN C[C@@H](NC[C@@H]1CC[C@@H](C)C1)c1ccncc1F ZINC000340498273 176205800 /nfs/dbraw/zinc/20/58/00/176205800.db2.gz LQTXXMQAEAXOJN-IJLUTSLNSA-N 0 3 236.334 3.308 20 0 BGADHN C[C@@H](NC[C@H]1CC[C@@H](C)C1)c1ccncc1F ZINC000340498275 176226893 /nfs/dbraw/zinc/22/68/93/176226893.db2.gz LQTXXMQAEAXOJN-UTUOFQBUSA-N 0 3 236.334 3.308 20 0 BGADHN C[C@H](NC[C@H]1CC[C@@H](C)C1)c1ccncc1F ZINC000340498277 386000666 /nfs/dbraw/zinc/00/06/66/386000666.db2.gz LQTXXMQAEAXOJN-WOPDTQHZSA-N 0 3 236.334 3.308 20 0 BGADHN C[C@H](CC1CC1)NCc1c(F)cc(F)cc1F ZINC000340505391 386033266 /nfs/dbraw/zinc/03/32/66/386033266.db2.gz NEXTWRMRIKEUHV-MRVPVSSYSA-N 0 3 243.272 3.382 20 0 BGADHN C[C@@H](CC1CC1)NCc1c(F)cc(F)cc1F ZINC000340505392 386034215 /nfs/dbraw/zinc/03/42/15/386034215.db2.gz NEXTWRMRIKEUHV-QMMMGPOBSA-N 0 3 243.272 3.382 20 0 BGADHN C[C@@H](NCc1c(F)cc(F)cc1F)C1(C)CC1 ZINC000340506723 386045361 /nfs/dbraw/zinc/04/53/61/386045361.db2.gz SZWXMPFLTYDHDM-MRVPVSSYSA-N 0 3 243.272 3.382 20 0 BGADHN C[C@H](NCc1c(F)cc(F)cc1F)C1(C)CC1 ZINC000340506725 386045534 /nfs/dbraw/zinc/04/55/34/386045534.db2.gz SZWXMPFLTYDHDM-QMMMGPOBSA-N 0 3 243.272 3.382 20 0 BGADHN Cc1cc([C@H](C)NCC2C(C)(C)C2(C)C)no1 ZINC000340511343 178246441 /nfs/dbraw/zinc/24/64/41/178246441.db2.gz ZQNAMRSOJISNLG-JTQLQIEISA-N 0 3 236.359 3.316 20 0 BGADHN Cc1cc([C@@H](C)NCC2C(C)(C)C2(C)C)no1 ZINC000340511347 178222012 /nfs/dbraw/zinc/22/20/12/178222012.db2.gz ZQNAMRSOJISNLG-SNVBAGLBSA-N 0 3 236.359 3.316 20 0 BGADHN CC[C@@H](NCCC(C)(C)C1CC1)c1nccn1C ZINC000340515050 386092605 /nfs/dbraw/zinc/09/26/05/386092605.db2.gz MEFYTNJXXINAGZ-CYBMUJFWSA-N 0 3 249.402 3.287 20 0 BGADHN CC[C@H](NCCC(C)(C)C1CC1)c1nccn1C ZINC000340515052 386091785 /nfs/dbraw/zinc/09/17/85/386091785.db2.gz MEFYTNJXXINAGZ-ZDUSSCGKSA-N 0 3 249.402 3.287 20 0 BGADHN Cc1cc([C@@H](C)NCCC(C)(C)C2CC2)no1 ZINC000340515540 178222852 /nfs/dbraw/zinc/22/28/52/178222852.db2.gz RXDXSXRZZHYZJZ-LLVKDONJSA-N 0 3 236.359 3.460 20 0 BGADHN Cc1cc([C@H](C)NCCC(C)(C)C2CC2)no1 ZINC000340515541 178246297 /nfs/dbraw/zinc/24/62/97/178246297.db2.gz RXDXSXRZZHYZJZ-NSHDSACASA-N 0 3 236.359 3.460 20 0 BGADHN Cc1cc([C@@H](C)NCCC(C)(C)C2CC2)nn1C ZINC000340519169 178222007 /nfs/dbraw/zinc/22/20/07/178222007.db2.gz TYXMZRVJIFEYOX-GFCCVEGCSA-N 0 3 249.402 3.205 20 0 BGADHN Cc1cc([C@H](C)NCCC(C)(C)C2CC2)nn1C ZINC000340519170 178247063 /nfs/dbraw/zinc/24/70/63/178247063.db2.gz TYXMZRVJIFEYOX-LBPRGKRZSA-N 0 3 249.402 3.205 20 0 BGADHN Cc1cc([C@@H](C)NC[C@H]2CCCC2(C)C)nn1C ZINC000340519237 178226492 /nfs/dbraw/zinc/22/64/92/178226492.db2.gz NBJOQPHJVMMJAP-CHWSQXEVSA-N 0 3 249.402 3.205 20 0 BGADHN Cc1cc([C@@H](C)NC[C@@H]2CCCC2(C)C)nn1C ZINC000340519239 178225895 /nfs/dbraw/zinc/22/58/95/178225895.db2.gz NBJOQPHJVMMJAP-OLZOCXBDSA-N 0 3 249.402 3.205 20 0 BGADHN Cc1cc([C@H](C)NC[C@H]2CCCC2(C)C)nn1C ZINC000340519240 178250429 /nfs/dbraw/zinc/25/04/29/178250429.db2.gz NBJOQPHJVMMJAP-QWHCGFSZSA-N 0 3 249.402 3.205 20 0 BGADHN Cc1cc([C@H](C)NC[C@@H]2CCCC2(C)C)nn1C ZINC000340519242 178249424 /nfs/dbraw/zinc/24/94/24/178249424.db2.gz NBJOQPHJVMMJAP-STQMWFEESA-N 0 3 249.402 3.205 20 0 BGADHN CC[C@@H](NC[C@H]1CCCC1(C)C)c1nccn1C ZINC000340519617 352428913 /nfs/dbraw/zinc/42/89/13/352428913.db2.gz NLNVYPGYVWZJGS-CHWSQXEVSA-N 0 3 249.402 3.287 20 0 BGADHN CC[C@H](NC[C@H]1CCCC1(C)C)c1nccn1C ZINC000340519619 386106884 /nfs/dbraw/zinc/10/68/84/386106884.db2.gz NLNVYPGYVWZJGS-OLZOCXBDSA-N 0 3 249.402 3.287 20 0 BGADHN CC[C@@H](NC[C@@H]1CCCC1(C)C)c1nccn1C ZINC000340519621 386106535 /nfs/dbraw/zinc/10/65/35/386106535.db2.gz NLNVYPGYVWZJGS-QWHCGFSZSA-N 0 3 249.402 3.287 20 0 BGADHN CC[C@H](NC[C@@H]1CCCC1(C)C)c1nccn1C ZINC000340519624 386106574 /nfs/dbraw/zinc/10/65/74/386106574.db2.gz NLNVYPGYVWZJGS-STQMWFEESA-N 0 3 249.402 3.287 20 0 BGADHN Cc1cc([C@H](C)NC2[C@H](C)CCC[C@H]2C)no1 ZINC000340519871 178245926 /nfs/dbraw/zinc/24/59/26/178245926.db2.gz RDKGPWXGZQIHJP-FOGDFJRCSA-N 0 3 236.359 3.458 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2[C@H](C)CCC[C@@H]2C)no1 ZINC000340519872 178256621 /nfs/dbraw/zinc/25/66/21/178256621.db2.gz RDKGPWXGZQIHJP-HEQLZXTPSA-N 0 3 236.359 3.458 20 0 BGADHN Cc1cc([C@@H](C)N[C@H]2[C@H](C)CCC[C@@H]2C)no1 ZINC000340519873 178231186 /nfs/dbraw/zinc/23/11/86/178231186.db2.gz RDKGPWXGZQIHJP-JCRCQARHSA-N 0 3 236.359 3.458 20 0 BGADHN Cc1cc([C@H](C)NC2[C@@H](C)CCC[C@@H]2C)no1 ZINC000340519874 178245278 /nfs/dbraw/zinc/24/52/78/178245278.db2.gz RDKGPWXGZQIHJP-NHCYSSNCSA-N 0 3 236.359 3.458 20 0 BGADHN CCCC1(CN[C@H](C)c2ccncc2F)CC1 ZINC000340520604 386111749 /nfs/dbraw/zinc/11/17/49/386111749.db2.gz QYOJUUBJMFTPCO-LLVKDONJSA-N 0 3 236.334 3.452 20 0 BGADHN CCCC1(CN[C@@H](C)c2ccncc2F)CC1 ZINC000340520606 168601593 /nfs/dbraw/zinc/60/15/93/168601593.db2.gz QYOJUUBJMFTPCO-NSHDSACASA-N 0 3 236.334 3.452 20 0 BGADHN Cc1cc([C@@H](C)NC[C@@H]2CCCC2(C)C)no1 ZINC000340521119 178227267 /nfs/dbraw/zinc/22/72/67/178227267.db2.gz TWJVGNFNCWNMII-NEPJUHHUSA-N 0 3 236.359 3.460 20 0 BGADHN Cc1cc([C@H](C)NC[C@H]2CCCC2(C)C)no1 ZINC000340521120 178250417 /nfs/dbraw/zinc/25/04/17/178250417.db2.gz TWJVGNFNCWNMII-NWDGAFQWSA-N 0 3 236.359 3.460 20 0 BGADHN Cc1cc([C@H](C)NC[C@@H]2CCCC2(C)C)no1 ZINC000340521121 178249049 /nfs/dbraw/zinc/24/90/49/178249049.db2.gz TWJVGNFNCWNMII-RYUDHWBXSA-N 0 3 236.359 3.460 20 0 BGADHN Cc1cc([C@@H](C)NC[C@H]2CCCC2(C)C)no1 ZINC000340521122 178226875 /nfs/dbraw/zinc/22/68/75/178226875.db2.gz TWJVGNFNCWNMII-VXGBXAGGSA-N 0 3 236.359 3.460 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@H]1F)c1ccccc1 ZINC000340521484 386120297 /nfs/dbraw/zinc/12/02/97/386120297.db2.gz FVPIUZNPWYEXQW-CYZMBNFOSA-N 0 3 207.292 3.228 20 0 BGADHN C[C@H](N[C@H]1CCC[C@@H]1F)c1ccccc1 ZINC000340521486 386120251 /nfs/dbraw/zinc/12/02/51/386120251.db2.gz FVPIUZNPWYEXQW-DRZSPHRISA-N 0 3 207.292 3.228 20 0 BGADHN C[C@H](N[C@H]1CCC[C@H]1F)c1ccccc1 ZINC000340521488 385086678 /nfs/dbraw/zinc/08/66/78/385086678.db2.gz FVPIUZNPWYEXQW-UHTWSYAYSA-N 0 3 207.292 3.228 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@@H]1F)c1ccccc1 ZINC000340521491 385089238 /nfs/dbraw/zinc/08/92/38/385089238.db2.gz FVPIUZNPWYEXQW-WCFLWFBJSA-N 0 3 207.292 3.228 20 0 BGADHN Oc1ccc2c(c1)[C@H](N[C@H]1CCC[C@H]1F)CCC2 ZINC000340521839 183281047 /nfs/dbraw/zinc/28/10/47/183281047.db2.gz GEGLTLWKNNRQKL-KFWWJZLASA-N 0 3 249.329 3.250 20 0 BGADHN Oc1ccc2c(c1)[C@H](N[C@@H]1CCC[C@H]1F)CCC2 ZINC000340521840 183281983 /nfs/dbraw/zinc/28/19/83/183281983.db2.gz GEGLTLWKNNRQKL-RBSFLKMASA-N 0 3 249.329 3.250 20 0 BGADHN Oc1ccc2c(c1)[C@H](N[C@@H]1CCC[C@@H]1F)CCC2 ZINC000340521841 183281219 /nfs/dbraw/zinc/28/12/19/183281219.db2.gz GEGLTLWKNNRQKL-RRFJBIMHSA-N 0 3 249.329 3.250 20 0 BGADHN Oc1ccc2c(c1)[C@H](N[C@H]1CCC[C@@H]1F)CCC2 ZINC000340521842 183281518 /nfs/dbraw/zinc/28/15/18/183281518.db2.gz GEGLTLWKNNRQKL-ZNMIVQPWSA-N 0 3 249.329 3.250 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@H]1F)c1ccsc1 ZINC000340521979 386123518 /nfs/dbraw/zinc/12/35/18/386123518.db2.gz HSLBOXNYGAMPAF-JMJZKYOTSA-N 0 3 213.321 3.289 20 0 BGADHN C[C@H](N[C@H]1CCC[C@@H]1F)c1ccsc1 ZINC000340521980 176921952 /nfs/dbraw/zinc/92/19/52/176921952.db2.gz HSLBOXNYGAMPAF-LSJOCFKGSA-N 0 3 213.321 3.289 20 0 BGADHN F[C@@H]1CCC[C@@H]1N[C@H](c1cccnc1)C1CCC1 ZINC000340522563 386116956 /nfs/dbraw/zinc/11/69/56/386116956.db2.gz FOEFHITVLFHERF-ILXRZTDVSA-N 0 3 248.345 3.403 20 0 BGADHN F[C@@H]1CCC[C@H]1N[C@H](c1cccnc1)C1CCC1 ZINC000340522564 386117375 /nfs/dbraw/zinc/11/73/75/386117375.db2.gz FOEFHITVLFHERF-KFWWJZLASA-N 0 3 248.345 3.403 20 0 BGADHN F[C@@H]1CCC[C@@H]1N[C@@H](c1cccnc1)C1CCC1 ZINC000340522565 386117404 /nfs/dbraw/zinc/11/74/04/386117404.db2.gz FOEFHITVLFHERF-QLFBSQMISA-N 0 3 248.345 3.403 20 0 BGADHN F[C@@H]1CCC[C@H]1N[C@@H](c1cccnc1)C1CCC1 ZINC000340522567 386117576 /nfs/dbraw/zinc/11/75/76/386117576.db2.gz FOEFHITVLFHERF-RBSFLKMASA-N 0 3 248.345 3.403 20 0 BGADHN Oc1cccc2c1CCC[C@@H]2N[C@@H]1CCC[C@H]1F ZINC000340522578 183293808 /nfs/dbraw/zinc/29/38/08/183293808.db2.gz FSQXQBFMVJZQFB-HZSPNIEDSA-N 0 3 249.329 3.250 20 0 BGADHN Oc1cccc2c1CCC[C@@H]2N[C@H]1CCC[C@@H]1F ZINC000340522580 183294726 /nfs/dbraw/zinc/29/47/26/183294726.db2.gz FSQXQBFMVJZQFB-IHRRRGAJSA-N 0 3 249.329 3.250 20 0 BGADHN Oc1cccc2c1CCC[C@@H]2N[C@@H]1CCC[C@@H]1F ZINC000340522582 183294879 /nfs/dbraw/zinc/29/48/79/183294879.db2.gz FSQXQBFMVJZQFB-MELADBBJSA-N 0 3 249.329 3.250 20 0 BGADHN Oc1cccc2c1CCC[C@@H]2N[C@H]1CCC[C@H]1F ZINC000340522585 183293695 /nfs/dbraw/zinc/29/36/95/183293695.db2.gz FSQXQBFMVJZQFB-RDBSUJKOSA-N 0 3 249.329 3.250 20 0 BGADHN CC(C)O[C@@H]1C[C@H](N[C@@H]2CCC[C@H]2F)C1(C)C ZINC000340523006 167282501 /nfs/dbraw/zinc/28/25/01/167282501.db2.gz LQZLIDAVEUOAOP-FVCCEPFGSA-N 0 3 243.366 3.059 20 0 BGADHN CC(C)O[C@@H]1C[C@H](N[C@H]2CCC[C@H]2F)C1(C)C ZINC000340523008 167282243 /nfs/dbraw/zinc/28/22/43/167282243.db2.gz LQZLIDAVEUOAOP-MROQNXINSA-N 0 3 243.366 3.059 20 0 BGADHN CC(C)O[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]2F)C1(C)C ZINC000340523009 167281228 /nfs/dbraw/zinc/28/12/28/167281228.db2.gz LQZLIDAVEUOAOP-QNWHQSFQSA-N 0 3 243.366 3.059 20 0 BGADHN CC(C)O[C@@H]1C[C@H](N[C@H]2CCC[C@@H]2F)C1(C)C ZINC000340523010 167283077 /nfs/dbraw/zinc/28/30/77/167283077.db2.gz LQZLIDAVEUOAOP-ZDEQEGDKSA-N 0 3 243.366 3.059 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@H]1F)c1ccc2c(c1)COC2 ZINC000340523092 386117357 /nfs/dbraw/zinc/11/73/57/386117357.db2.gz NCOVAZNAZOFXEZ-COLVAYQJSA-N 0 3 249.329 3.258 20 0 BGADHN C[C@H](N[C@H]1CCC[C@@H]1F)c1ccc2c(c1)COC2 ZINC000340523095 386117552 /nfs/dbraw/zinc/11/75/52/386117552.db2.gz NCOVAZNAZOFXEZ-LKTVYLICSA-N 0 3 249.329 3.258 20 0 BGADHN C[C@H](N[C@H]1CCC[C@H]1F)c1ccc(F)cc1 ZINC000340523280 385086928 /nfs/dbraw/zinc/08/69/28/385086928.db2.gz HDFVLRUJYIYKCV-BIMULSAOSA-N 0 3 225.282 3.367 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@@H]1F)c1ccc(F)cc1 ZINC000340523281 385087621 /nfs/dbraw/zinc/08/76/21/385087621.db2.gz HDFVLRUJYIYKCV-TVYUQYBPSA-N 0 3 225.282 3.367 20 0 BGADHN C[C@H](N[C@H]1CCC[C@@H]1F)c1ccc(F)cc1 ZINC000340523282 386119335 /nfs/dbraw/zinc/11/93/35/386119335.db2.gz HDFVLRUJYIYKCV-XDTLVQLUSA-N 0 3 225.282 3.367 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@H]1F)c1ccc(F)cc1 ZINC000340523283 386119156 /nfs/dbraw/zinc/11/91/56/386119156.db2.gz HDFVLRUJYIYKCV-ZWKOPEQDSA-N 0 3 225.282 3.367 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@@H]1F)c1ccc2c(c1)COC2 ZINC000340523575 386116478 /nfs/dbraw/zinc/11/64/78/386116478.db2.gz NCOVAZNAZOFXEZ-NZVBXONLSA-N 0 3 249.329 3.258 20 0 BGADHN C[C@H](N[C@H]1CCC[C@H]1F)c1ccc2c(c1)COC2 ZINC000340523578 411479614 /nfs/dbraw/zinc/47/96/14/411479614.db2.gz NCOVAZNAZOFXEZ-VQISRLSMSA-N 0 3 249.329 3.258 20 0 BGADHN C[C@H](N[C@H]1CCC[C@H]1F)c1cccc(F)c1 ZINC000340524078 385085102 /nfs/dbraw/zinc/08/51/02/385085102.db2.gz BSHMEVANIRFPTQ-BIMULSAOSA-N 0 3 225.282 3.367 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@@H]1F)c1cccc(F)c1 ZINC000340524081 385084164 /nfs/dbraw/zinc/08/41/64/385084164.db2.gz BSHMEVANIRFPTQ-TVYUQYBPSA-N 0 3 225.282 3.367 20 0 BGADHN C[C@H](N[C@H]1CCC[C@@H]1F)c1cccc(F)c1 ZINC000340524084 398136716 /nfs/dbraw/zinc/13/67/16/398136716.db2.gz BSHMEVANIRFPTQ-XDTLVQLUSA-N 0 3 225.282 3.367 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@H]1F)c1cccc(F)c1 ZINC000340524086 176897715 /nfs/dbraw/zinc/89/77/15/176897715.db2.gz BSHMEVANIRFPTQ-ZWKOPEQDSA-N 0 3 225.282 3.367 20 0 BGADHN COc1cccc([C@H](C)N[C@H]2CCC[C@@H]2F)c1 ZINC000340524641 175293543 /nfs/dbraw/zinc/29/35/43/175293543.db2.gz DSHOFFSFHIDLIX-BPNCWPANSA-N 0 3 237.318 3.236 20 0 BGADHN COc1cccc([C@H](C)N[C@H]2CCC[C@H]2F)c1 ZINC000340524642 175293128 /nfs/dbraw/zinc/29/31/28/175293128.db2.gz DSHOFFSFHIDLIX-GDLCADMTSA-N 0 3 237.318 3.236 20 0 BGADHN COc1cccc([C@H](C)N[C@@H]2CCC[C@@H]2F)c1 ZINC000340524643 175293050 /nfs/dbraw/zinc/29/30/50/175293050.db2.gz DSHOFFSFHIDLIX-LEWSCRJBSA-N 0 3 237.318 3.236 20 0 BGADHN COc1cccc([C@H](C)N[C@@H]2CCC[C@H]2F)c1 ZINC000340524644 175293810 /nfs/dbraw/zinc/29/38/10/175293810.db2.gz DSHOFFSFHIDLIX-ZLKJLUDKSA-N 0 3 237.318 3.236 20 0 BGADHN C[C@H](N[C@H]1CCC[C@@H]1F)c1cccs1 ZINC000340525066 386125906 /nfs/dbraw/zinc/12/59/06/386125906.db2.gz FDDPYPIMIXAMMQ-GUBZILKMSA-N 0 3 213.321 3.289 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@H]1F)c1cccs1 ZINC000340525069 386127841 /nfs/dbraw/zinc/12/78/41/386127841.db2.gz FDDPYPIMIXAMMQ-IVZWLZJFSA-N 0 3 213.321 3.289 20 0 BGADHN Fc1ccc2c(c1)[C@H](N[C@@H]1CCC[C@@H]1F)CC2 ZINC000340525166 384975349 /nfs/dbraw/zinc/97/53/49/384975349.db2.gz MEWMMRLOACMWGR-BFHYXJOUSA-N 0 3 237.293 3.293 20 0 BGADHN Fc1ccc2c(c1)[C@H](N[C@H]1CCC[C@H]1F)CC2 ZINC000340525175 384974727 /nfs/dbraw/zinc/97/47/27/384974727.db2.gz MEWMMRLOACMWGR-MCIONIFRSA-N 0 3 237.293 3.293 20 0 BGADHN F[C@@H]1CCC[C@H]1N[C@H]1CCc2ccccc21 ZINC000340525404 386126719 /nfs/dbraw/zinc/12/67/19/386126719.db2.gz JGDRCFYZHLIVKV-HZSPNIEDSA-N 0 3 219.303 3.154 20 0 BGADHN F[C@@H]1CCC[C@@H]1N[C@@H]1CCc2ccccc21 ZINC000340525413 385085007 /nfs/dbraw/zinc/08/50/07/385085007.db2.gz JGDRCFYZHLIVKV-MCIONIFRSA-N 0 3 219.303 3.154 20 0 BGADHN F[C@@H]1CCC[C@H]1N[C@@H]1CCc2ccccc21 ZINC000340525414 386125947 /nfs/dbraw/zinc/12/59/47/386125947.db2.gz JGDRCFYZHLIVKV-MGPQQGTHSA-N 0 3 219.303 3.154 20 0 BGADHN F[C@@H]1CCC[C@@H]1N[C@H]1CCc2ccccc21 ZINC000340525415 385084936 /nfs/dbraw/zinc/08/49/36/385084936.db2.gz JGDRCFYZHLIVKV-RDBSUJKOSA-N 0 3 219.303 3.154 20 0 BGADHN Fc1cccc2c1CC[C@@H]2N[C@@H]1CCC[C@H]1F ZINC000340525706 181004816 /nfs/dbraw/zinc/00/48/16/181004816.db2.gz XLAHOCSQFNTPDM-HZSPNIEDSA-N 0 3 237.293 3.293 20 0 BGADHN Fc1cccc2c1CC[C@@H]2N[C@H]1CCC[C@@H]1F ZINC000340525708 181005638 /nfs/dbraw/zinc/00/56/38/181005638.db2.gz XLAHOCSQFNTPDM-IHRRRGAJSA-N 0 3 237.293 3.293 20 0 BGADHN Fc1cccc2c1CC[C@@H]2N[C@@H]1CCC[C@@H]1F ZINC000340525710 181004827 /nfs/dbraw/zinc/00/48/27/181004827.db2.gz XLAHOCSQFNTPDM-MELADBBJSA-N 0 3 237.293 3.293 20 0 BGADHN Fc1cccc2c1CC[C@@H]2N[C@H]1CCC[C@H]1F ZINC000340525711 181005149 /nfs/dbraw/zinc/00/51/49/181005149.db2.gz XLAHOCSQFNTPDM-RDBSUJKOSA-N 0 3 237.293 3.293 20 0 BGADHN F[C@@H]1CCC[C@H]1N[C@@H]1CCCNc2ccccc21 ZINC000340526247 386129915 /nfs/dbraw/zinc/12/99/15/386129915.db2.gz POFNMBGOVHIPTA-BPLDGKMQSA-N 0 3 248.345 3.414 20 0 BGADHN F[C@@H]1CCC[C@@H]1N[C@H]1CCCNc2ccccc21 ZINC000340526248 386129331 /nfs/dbraw/zinc/12/93/31/386129331.db2.gz POFNMBGOVHIPTA-SNPRPXQTSA-N 0 3 248.345 3.414 20 0 BGADHN F[C@@H]1CCC[C@H]1N[C@H]1CCCNc2ccccc21 ZINC000340526249 386129351 /nfs/dbraw/zinc/12/93/51/386129351.db2.gz POFNMBGOVHIPTA-VHDGCEQUSA-N 0 3 248.345 3.414 20 0 BGADHN F[C@@H]1CCC[C@@H]1N[C@@H]1CCCNc2ccccc21 ZINC000340526250 386130152 /nfs/dbraw/zinc/13/01/52/386130152.db2.gz POFNMBGOVHIPTA-YUELXQCFSA-N 0 3 248.345 3.414 20 0 BGADHN CCC[C@H](N[C@@H]1CCC[C@H]1F)c1cccnc1 ZINC000340527609 386129629 /nfs/dbraw/zinc/12/96/29/386129629.db2.gz WVAISEHBEVZWJU-HZSPNIEDSA-N 0 3 236.334 3.403 20 0 BGADHN CCC[C@H](N[C@H]1CCC[C@@H]1F)c1cccnc1 ZINC000340527611 386130750 /nfs/dbraw/zinc/13/07/50/386130750.db2.gz WVAISEHBEVZWJU-IHRRRGAJSA-N 0 3 236.334 3.403 20 0 BGADHN CCC[C@H](N[C@@H]1CCC[C@@H]1F)c1cccnc1 ZINC000340527612 386128857 /nfs/dbraw/zinc/12/88/57/386128857.db2.gz WVAISEHBEVZWJU-MELADBBJSA-N 0 3 236.334 3.403 20 0 BGADHN CCC[C@H](N[C@H]1CCC[C@H]1F)c1cccnc1 ZINC000340527613 386129391 /nfs/dbraw/zinc/12/93/91/386129391.db2.gz WVAISEHBEVZWJU-RDBSUJKOSA-N 0 3 236.334 3.403 20 0 BGADHN COc1ccc([C@H](C)N[C@H]2CCC[C@@H]2F)cc1 ZINC000340528378 175190033 /nfs/dbraw/zinc/19/00/33/175190033.db2.gz WFKYVPAODJEECE-BPNCWPANSA-N 0 3 237.318 3.236 20 0 BGADHN COc1ccc([C@H](C)N[C@H]2CCC[C@H]2F)cc1 ZINC000340528381 175190340 /nfs/dbraw/zinc/19/03/40/175190340.db2.gz WFKYVPAODJEECE-GDLCADMTSA-N 0 3 237.318 3.236 20 0 BGADHN COc1ccc([C@H](C)N[C@@H]2CCC[C@@H]2F)cc1 ZINC000340528388 175189750 /nfs/dbraw/zinc/18/97/50/175189750.db2.gz WFKYVPAODJEECE-LEWSCRJBSA-N 0 3 237.318 3.236 20 0 BGADHN COc1ccc([C@H](C)N[C@@H]2CCC[C@H]2F)cc1 ZINC000340528393 175189765 /nfs/dbraw/zinc/18/97/65/175189765.db2.gz WFKYVPAODJEECE-ZLKJLUDKSA-N 0 3 237.318 3.236 20 0 BGADHN COc1ccc2c(c1)[C@H](N[C@H]1CCC[C@H]1F)CC2 ZINC000340528535 175217337 /nfs/dbraw/zinc/21/73/37/175217337.db2.gz XVWDYQFSHQFBLU-KFWWJZLASA-N 0 3 249.329 3.163 20 0 BGADHN COc1ccc2c(c1)[C@H](N[C@@H]1CCC[C@H]1F)CC2 ZINC000340528536 175216044 /nfs/dbraw/zinc/21/60/44/175216044.db2.gz XVWDYQFSHQFBLU-RBSFLKMASA-N 0 3 249.329 3.163 20 0 BGADHN COc1ccc2c(c1)[C@H](N[C@@H]1CCC[C@@H]1F)CC2 ZINC000340528537 175215975 /nfs/dbraw/zinc/21/59/75/175215975.db2.gz XVWDYQFSHQFBLU-RRFJBIMHSA-N 0 3 249.329 3.163 20 0 BGADHN COc1ccc2c(c1)[C@H](N[C@H]1CCC[C@@H]1F)CC2 ZINC000340528538 175217452 /nfs/dbraw/zinc/21/74/52/175217452.db2.gz XVWDYQFSHQFBLU-ZNMIVQPWSA-N 0 3 249.329 3.163 20 0 BGADHN CC(C)C1(CN[C@H](C)c2ccncc2F)CC1 ZINC000340529680 386140783 /nfs/dbraw/zinc/14/07/83/386140783.db2.gz OGYNAVXCWCANJK-LLVKDONJSA-N 0 3 236.334 3.308 20 0 BGADHN CC(C)C1(CN[C@@H](C)c2ccncc2F)CC1 ZINC000340529681 386140292 /nfs/dbraw/zinc/14/02/92/386140292.db2.gz OGYNAVXCWCANJK-NSHDSACASA-N 0 3 236.334 3.308 20 0 BGADHN CC(C)[C@H](N[C@H]1CCC[C@@H]1F)c1cccnc1 ZINC000340530269 386144545 /nfs/dbraw/zinc/14/45/45/386144545.db2.gz MINDZTQRVOVNHU-IHRRRGAJSA-N 0 3 236.334 3.259 20 0 BGADHN CC(C)[C@H](N[C@@H]1CCC[C@H]1F)c1cccnc1 ZINC000340530273 386144910 /nfs/dbraw/zinc/14/49/10/386144910.db2.gz MINDZTQRVOVNHU-MCIONIFRSA-N 0 3 236.334 3.259 20 0 BGADHN CC(C)[C@H](N[C@@H]1CCC[C@@H]1F)c1cccnc1 ZINC000340530277 386145753 /nfs/dbraw/zinc/14/57/53/386145753.db2.gz MINDZTQRVOVNHU-MJBXVCDLSA-N 0 3 236.334 3.259 20 0 BGADHN CC(C)[C@H](N[C@H]1CCC[C@H]1F)c1cccnc1 ZINC000340530283 386145393 /nfs/dbraw/zinc/14/53/93/386145393.db2.gz MINDZTQRVOVNHU-RDBSUJKOSA-N 0 3 236.334 3.259 20 0 BGADHN COc1cccc2c1CC[C@@H]2N[C@@H]1CCC[C@H]1F ZINC000340532546 175302829 /nfs/dbraw/zinc/30/28/29/175302829.db2.gz ROZGRYDDTARWTF-HZSPNIEDSA-N 0 3 249.329 3.163 20 0 BGADHN COc1cccc2c1CC[C@@H]2N[C@H]1CCC[C@@H]1F ZINC000340532550 175302546 /nfs/dbraw/zinc/30/25/46/175302546.db2.gz ROZGRYDDTARWTF-IHRRRGAJSA-N 0 3 249.329 3.163 20 0 BGADHN COc1cccc2c1CC[C@@H]2N[C@@H]1CCC[C@@H]1F ZINC000340532553 175302279 /nfs/dbraw/zinc/30/22/79/175302279.db2.gz ROZGRYDDTARWTF-MELADBBJSA-N 0 3 249.329 3.163 20 0 BGADHN COc1cccc2c1CC[C@@H]2N[C@H]1CCC[C@H]1F ZINC000340532559 175302326 /nfs/dbraw/zinc/30/23/26/175302326.db2.gz ROZGRYDDTARWTF-RDBSUJKOSA-N 0 3 249.329 3.163 20 0 BGADHN Fc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCC[C@H]1F ZINC000340533738 386155693 /nfs/dbraw/zinc/15/56/93/386155693.db2.gz XIWFOQWKHCWMGG-HZSPNIEDSA-N 0 3 237.293 3.293 20 0 BGADHN Fc1ccc2c(c1)CC[C@@H]2N[C@H]1CCC[C@@H]1F ZINC000340533743 386157140 /nfs/dbraw/zinc/15/71/40/386157140.db2.gz XIWFOQWKHCWMGG-IHRRRGAJSA-N 0 3 237.293 3.293 20 0 BGADHN Fc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCC[C@@H]1F ZINC000340533745 386155399 /nfs/dbraw/zinc/15/53/99/386155399.db2.gz XIWFOQWKHCWMGG-MELADBBJSA-N 0 3 237.293 3.293 20 0 BGADHN Fc1ccc2c(c1)CC[C@@H]2N[C@H]1CCC[C@H]1F ZINC000340533749 386156626 /nfs/dbraw/zinc/15/66/26/386156626.db2.gz XIWFOQWKHCWMGG-RDBSUJKOSA-N 0 3 237.293 3.293 20 0 BGADHN C[C@@H](NCC1(C)CCCC1)c1ccncc1F ZINC000340539475 411481059 /nfs/dbraw/zinc/48/10/59/411481059.db2.gz ZXHRJOAFWYRAKJ-LLVKDONJSA-N 0 3 236.334 3.452 20 0 BGADHN C[C@H](NCC1(C)CCCC1)c1ccncc1F ZINC000340539479 386176714 /nfs/dbraw/zinc/17/67/14/386176714.db2.gz ZXHRJOAFWYRAKJ-NSHDSACASA-N 0 3 236.334 3.452 20 0 BGADHN CSCCN(C)Cc1ccc(SC)s1 ZINC000340576579 386273244 /nfs/dbraw/zinc/27/32/44/386273244.db2.gz JKZHUBZIYNJHNC-UHFFFAOYSA-N 0 3 247.454 3.265 20 0 BGADHN Fc1ccc(SCCN2CCCC2)cc1 ZINC000340577683 386273326 /nfs/dbraw/zinc/27/33/26/386273326.db2.gz LILWNXUFVAKYHQ-UHFFFAOYSA-N 0 3 225.332 3.014 20 0 BGADHN CC(C)C[C@@H](C)CNCc1cn2ccccc2n1 ZINC000340583041 386279891 /nfs/dbraw/zinc/27/98/91/386279891.db2.gz SYXJWAHMSMVTLX-CYBMUJFWSA-N 0 3 245.370 3.106 20 0 BGADHN CC(C)C[C@H](C)CNCc1cn2ccccc2n1 ZINC000340583042 386279502 /nfs/dbraw/zinc/27/95/02/386279502.db2.gz SYXJWAHMSMVTLX-ZDUSSCGKSA-N 0 3 245.370 3.106 20 0 BGADHN CC[C@H](C)N(C)Cc1cc(F)ccc1OC ZINC000340603600 171307349 /nfs/dbraw/zinc/30/73/49/171307349.db2.gz VPKOTPCVXYPQGH-JTQLQIEISA-N 0 3 225.307 3.065 20 0 BGADHN CC[C@@H](C)N(C)Cc1cc(F)ccc1OC ZINC000340603601 386351421 /nfs/dbraw/zinc/35/14/21/386351421.db2.gz VPKOTPCVXYPQGH-SNVBAGLBSA-N 0 3 225.307 3.065 20 0 BGADHN Cc1ccc(CN(C)CC2CCCC2)o1 ZINC000340617077 188041530 /nfs/dbraw/zinc/04/15/30/188041530.db2.gz PLZKBGICHFZIKE-UHFFFAOYSA-N 0 3 207.317 3.210 20 0 BGADHN Cc1ccccc1[C@H](C)N(C)CCOC(C)C ZINC000340638173 179334821 /nfs/dbraw/zinc/33/48/21/179334821.db2.gz LNUVVXCKEMCUFD-AWEZNQCLSA-N 0 3 235.371 3.413 20 0 BGADHN Cc1ccccc1[C@@H](C)N(C)CCOC(C)C ZINC000340638174 179318144 /nfs/dbraw/zinc/31/81/44/179318144.db2.gz LNUVVXCKEMCUFD-CQSZACIVSA-N 0 3 235.371 3.413 20 0 BGADHN CCOCCN(C)[C@@H](C)c1ccc(C)cc1C ZINC000340639067 170391678 /nfs/dbraw/zinc/39/16/78/170391678.db2.gz ZUPOJCSVPUUMNL-AWEZNQCLSA-N 0 3 235.371 3.333 20 0 BGADHN CCOCCN(C)[C@H](C)c1ccc(C)cc1C ZINC000340639068 170391738 /nfs/dbraw/zinc/39/17/38/170391738.db2.gz ZUPOJCSVPUUMNL-CQSZACIVSA-N 0 3 235.371 3.333 20 0 BGADHN CCN(CCSC)Cc1cccc(F)c1 ZINC000340655385 398153734 /nfs/dbraw/zinc/15/37/34/398153734.db2.gz CKEVNGMPRGUMHA-UHFFFAOYSA-N 0 3 227.348 3.011 20 0 BGADHN CC(C)CN(Cc1ncc(C2CC2)o1)C(C)C ZINC000340661090 352550543 /nfs/dbraw/zinc/55/05/43/352550543.db2.gz KRYWSBJOPRZZOM-UHFFFAOYSA-N 0 3 236.359 3.418 20 0 BGADHN CSCCN(C)Cc1c(C)cc(C)cc1C ZINC000340671574 386652709 /nfs/dbraw/zinc/65/27/09/386652709.db2.gz BXDJLMPVXSPSFW-UHFFFAOYSA-N 0 3 237.412 3.407 20 0 BGADHN Cc1cnc(CN2CCC[C@@H]2CC(C)(C)C)nc1 ZINC000340672527 386653483 /nfs/dbraw/zinc/65/34/83/386653483.db2.gz AYWQBGQDMIGESF-CYBMUJFWSA-N 0 3 247.386 3.186 20 0 BGADHN Cc1cnc(CN2CCC[C@H]2CC(C)(C)C)nc1 ZINC000340672528 386652980 /nfs/dbraw/zinc/65/29/80/386652980.db2.gz AYWQBGQDMIGESF-ZDUSSCGKSA-N 0 3 247.386 3.186 20 0 BGADHN Cc1cnc(CN(CC(C)C)C2CCCC2)nc1 ZINC000340672801 386653103 /nfs/dbraw/zinc/65/31/03/386653103.db2.gz HCBZTMWLJRJRKK-UHFFFAOYSA-N 0 3 247.386 3.186 20 0 BGADHN CSCCN(Cc1ccccc1F)C(C)C ZINC000340672904 386652019 /nfs/dbraw/zinc/65/20/19/386652019.db2.gz IRHLLZDANYUTFP-UHFFFAOYSA-N 0 3 241.375 3.399 20 0 BGADHN CCCN(Cc1ncc(C2CC2)o1)CC(C)C ZINC000340674877 169180557 /nfs/dbraw/zinc/18/05/57/169180557.db2.gz MOBXNQPWLMVTDQ-UHFFFAOYSA-N 0 3 236.359 3.420 20 0 BGADHN CSCCN(Cc1ccccc1C)C1CC1 ZINC000340677025 386666281 /nfs/dbraw/zinc/66/62/81/386666281.db2.gz TYVRSNCGAXJKOZ-UHFFFAOYSA-N 0 3 235.396 3.322 20 0 BGADHN CCN(Cc1ncc(C2CC2)o1)[C@H](C)C(C)C ZINC000340678914 352607308 /nfs/dbraw/zinc/60/73/08/352607308.db2.gz ZIRXUIDWMIVTPQ-LLVKDONJSA-N 0 3 236.359 3.418 20 0 BGADHN CCN(Cc1ncc(C2CC2)o1)[C@@H](C)C(C)C ZINC000340678917 352607823 /nfs/dbraw/zinc/60/78/23/352607823.db2.gz ZIRXUIDWMIVTPQ-NSHDSACASA-N 0 3 236.359 3.418 20 0 BGADHN CC[C@@H]1CCCN1Cc1cc(OC)ccc1OC ZINC000340681062 352613636 /nfs/dbraw/zinc/61/36/36/352613636.db2.gz QUCYXTZJABAEES-CYBMUJFWSA-N 0 3 249.354 3.078 20 0 BGADHN CC[C@H]1CCCN1Cc1cc(OC)ccc1OC ZINC000340681063 386669424 /nfs/dbraw/zinc/66/94/24/386669424.db2.gz QUCYXTZJABAEES-ZDUSSCGKSA-N 0 3 249.354 3.078 20 0 BGADHN CC[C@@H]1CCCN1Cc1cc(F)ccc1OC ZINC000340682456 352613474 /nfs/dbraw/zinc/61/34/74/352613474.db2.gz NVPCNKTWPUTDOC-CYBMUJFWSA-N 0 3 237.318 3.209 20 0 BGADHN CC[C@H]1CCCN1Cc1cc(F)ccc1OC ZINC000340682457 386669657 /nfs/dbraw/zinc/66/96/57/386669657.db2.gz NVPCNKTWPUTDOC-ZDUSSCGKSA-N 0 3 237.318 3.209 20 0 BGADHN CC[C@@H]1CCCN1Cc1cc(F)ccc1F ZINC000340685703 352630370 /nfs/dbraw/zinc/63/03/70/352630370.db2.gz KEWDFBMUHXGQBF-GFCCVEGCSA-N 0 3 225.282 3.339 20 0 BGADHN CC[C@H]1CCCN1Cc1cc(F)ccc1F ZINC000340685713 386694818 /nfs/dbraw/zinc/69/48/18/386694818.db2.gz KEWDFBMUHXGQBF-LBPRGKRZSA-N 0 3 225.282 3.339 20 0 BGADHN CC[C@@H]1CCCN1Cc1ccccc1F ZINC000340685878 352630216 /nfs/dbraw/zinc/63/02/16/352630216.db2.gz ATWOEDVFZNXISR-GFCCVEGCSA-N 0 3 207.292 3.200 20 0 BGADHN CC[C@H]1CCCN1Cc1ccccc1F ZINC000340685884 386695142 /nfs/dbraw/zinc/69/51/42/386695142.db2.gz ATWOEDVFZNXISR-LBPRGKRZSA-N 0 3 207.292 3.200 20 0 BGADHN CCC(CC)N(Cc1ncc(C)cn1)CC(C)C ZINC000340687299 168376409 /nfs/dbraw/zinc/37/64/09/168376409.db2.gz CTWDPHPDDNUNNB-UHFFFAOYSA-N 0 3 249.402 3.432 20 0 BGADHN CN(Cc1ncc(C2CC2)o1)C(C1CC1)C1CC1 ZINC000340687720 386696098 /nfs/dbraw/zinc/69/60/98/386696098.db2.gz ZSSLHJUNMUGRFW-UHFFFAOYSA-N 0 3 246.354 3.172 20 0 BGADHN CSCCN(Cc1cccc(F)c1)C(C)C ZINC000340687887 386696452 /nfs/dbraw/zinc/69/64/52/386696452.db2.gz WPTKNXYMHPIHHF-UHFFFAOYSA-N 0 3 241.375 3.399 20 0 BGADHN CC[C@@H]1CCCN1Cc1ccc(OC)c(F)c1 ZINC000340688197 352630425 /nfs/dbraw/zinc/63/04/25/352630425.db2.gz LTWWBJQWOIYJLV-GFCCVEGCSA-N 0 3 237.318 3.209 20 0 BGADHN CC[C@H]1CCCN1Cc1ccc(OC)c(F)c1 ZINC000340688198 386696161 /nfs/dbraw/zinc/69/61/61/386696161.db2.gz LTWWBJQWOIYJLV-LBPRGKRZSA-N 0 3 237.318 3.209 20 0 BGADHN Cc1cnc(CN(C(C)C)C2CCCCC2)nc1 ZINC000340688576 188042464 /nfs/dbraw/zinc/04/24/64/188042464.db2.gz GYUHMMUYZHWMGR-UHFFFAOYSA-N 0 3 247.386 3.328 20 0 BGADHN CC[C@@H]1CCCN1CCOc1ccccc1F ZINC000340689779 352641986 /nfs/dbraw/zinc/64/19/86/352641986.db2.gz VONQHFJFTXUYQR-GFCCVEGCSA-N 0 3 237.318 3.079 20 0 BGADHN CC[C@H]1CCCN1CCOc1ccccc1F ZINC000340689780 386710155 /nfs/dbraw/zinc/71/01/55/386710155.db2.gz VONQHFJFTXUYQR-LBPRGKRZSA-N 0 3 237.318 3.079 20 0 BGADHN CCC[C@H](C)[C@@H]1CCCN1Cc1ncc(C)cn1 ZINC000340690503 386713351 /nfs/dbraw/zinc/71/33/51/386713351.db2.gz GSVXYFHISPABOY-KBPBESRZSA-N 0 3 247.386 3.186 20 0 BGADHN CCC[C@@H](C)[C@@H]1CCCN1Cc1ncc(C)cn1 ZINC000340690504 169372965 /nfs/dbraw/zinc/37/29/65/169372965.db2.gz GSVXYFHISPABOY-KGLIPLIRSA-N 0 3 247.386 3.186 20 0 BGADHN CCC[C@H](C)[C@H]1CCCN1Cc1ncc(C)cn1 ZINC000340690505 386715769 /nfs/dbraw/zinc/71/57/69/386715769.db2.gz GSVXYFHISPABOY-UONOGXRCSA-N 0 3 247.386 3.186 20 0 BGADHN CCC[C@@H](C)[C@H]1CCCN1Cc1ncc(C)cn1 ZINC000340690506 169374417 /nfs/dbraw/zinc/37/44/17/169374417.db2.gz GSVXYFHISPABOY-ZIAGYGMSSA-N 0 3 247.386 3.186 20 0 BGADHN Cc1cnc(CN(CC(C)C)CC(C)(C)C)nc1 ZINC000340691868 386714154 /nfs/dbraw/zinc/71/41/54/386714154.db2.gz SBXROCIGNIAYRP-UHFFFAOYSA-N 0 3 249.402 3.289 20 0 BGADHN CC[C@@H]1CCCN1Cc1cccc(F)c1F ZINC000340694721 352650189 /nfs/dbraw/zinc/65/01/89/352650189.db2.gz WUQIUZVGJMCVIG-LLVKDONJSA-N 0 3 225.282 3.339 20 0 BGADHN CC[C@H]1CCCN1Cc1cccc(F)c1F ZINC000340694722 386718424 /nfs/dbraw/zinc/71/84/24/386718424.db2.gz WUQIUZVGJMCVIG-NSHDSACASA-N 0 3 225.282 3.339 20 0 BGADHN CCC[C@H]1[C@@H](C)CCCN1Cc1ncc(C)cn1 ZINC000340696863 386727366 /nfs/dbraw/zinc/72/73/66/386727366.db2.gz XWFJMMXNIITVMY-KBPBESRZSA-N 0 3 247.386 3.186 20 0 BGADHN CCC[C@H]1[C@H](C)CCCN1Cc1ncc(C)cn1 ZINC000340696866 386726519 /nfs/dbraw/zinc/72/65/19/386726519.db2.gz XWFJMMXNIITVMY-KGLIPLIRSA-N 0 3 247.386 3.186 20 0 BGADHN CCC[C@@H]1[C@@H](C)CCCN1Cc1ncc(C)cn1 ZINC000340696867 386728269 /nfs/dbraw/zinc/72/82/69/386728269.db2.gz XWFJMMXNIITVMY-UONOGXRCSA-N 0 3 247.386 3.186 20 0 BGADHN CCC[C@@H]1[C@H](C)CCCN1Cc1ncc(C)cn1 ZINC000340696869 386726821 /nfs/dbraw/zinc/72/68/21/386726821.db2.gz XWFJMMXNIITVMY-ZIAGYGMSSA-N 0 3 247.386 3.186 20 0 BGADHN c1nc(CN(CC2CC2)CC2CC2)oc1C1CC1 ZINC000340702336 386744950 /nfs/dbraw/zinc/74/49/50/386744950.db2.gz XZBBXLBMAPMARX-UHFFFAOYSA-N 0 3 246.354 3.174 20 0 BGADHN CCC(C)(C)[C@H]1CCCN1Cc1ncc(C)cn1 ZINC000340706653 168305203 /nfs/dbraw/zinc/30/52/03/168305203.db2.gz CKANERSGTTYVNI-CYBMUJFWSA-N 0 3 247.386 3.186 20 0 BGADHN CCC(C)(C)[C@@H]1CCCN1Cc1ncc(C)cn1 ZINC000340706657 168304612 /nfs/dbraw/zinc/30/46/12/168304612.db2.gz CKANERSGTTYVNI-ZDUSSCGKSA-N 0 3 247.386 3.186 20 0 BGADHN CCSCCN(CC)Cc1cccc(F)c1 ZINC000340745942 386763580 /nfs/dbraw/zinc/76/35/80/386763580.db2.gz SFCIXUFPOATPLF-UHFFFAOYSA-N 0 3 241.375 3.401 20 0 BGADHN CCSCCN(C)Cc1cccc(F)c1 ZINC000340762328 386766657 /nfs/dbraw/zinc/76/66/57/386766657.db2.gz VPHMGWPKVCMIBD-UHFFFAOYSA-N 0 3 227.348 3.011 20 0 BGADHN CCSCCN(C)Cc1ccc(C)cc1 ZINC000340762579 386765281 /nfs/dbraw/zinc/76/52/81/386765281.db2.gz WYFWZWSEVYYVBE-UHFFFAOYSA-N 0 3 223.385 3.180 20 0 BGADHN c1cc(CN2CCCSCC2)cc2c1CCC2 ZINC000340771945 183367994 /nfs/dbraw/zinc/36/79/94/183367994.db2.gz JAFMWRFTMRPULK-UHFFFAOYSA-N 0 3 247.407 3.114 20 0 BGADHN Cc1ccncc1[C@@H](C)NC[C@@H](C)C(F)(F)F ZINC000340775112 386771989 /nfs/dbraw/zinc/77/19/89/386771989.db2.gz JCVYBAIKKCZNMD-NXEZZACHSA-N 0 3 246.276 3.239 20 0 BGADHN Cc1ccncc1[C@H](C)NC[C@H](C)C(F)(F)F ZINC000340775124 386771379 /nfs/dbraw/zinc/77/13/79/386771379.db2.gz JCVYBAIKKCZNMD-UWVGGRQHSA-N 0 3 246.276 3.239 20 0 BGADHN Cc1ccncc1[C@@H](C)NC[C@H](C)C(F)(F)F ZINC000340775127 386771811 /nfs/dbraw/zinc/77/18/11/386771811.db2.gz JCVYBAIKKCZNMD-VHSXEESVSA-N 0 3 246.276 3.239 20 0 BGADHN Cc1ccncc1[C@H](C)NC[C@@H](C)C(F)(F)F ZINC000340775128 386772392 /nfs/dbraw/zinc/77/23/92/386772392.db2.gz JCVYBAIKKCZNMD-ZJUUUORDSA-N 0 3 246.276 3.239 20 0 BGADHN CC(C)c1nc(CSCCN(C)C)cs1 ZINC000340788118 386764266 /nfs/dbraw/zinc/76/42/66/386764266.db2.gz BUFSKNHBIQYUSU-UHFFFAOYSA-N 0 3 244.429 3.061 20 0 BGADHN C[C@H](c1ccc(F)cc1)N1CCCSCC1 ZINC000340808456 177034629 /nfs/dbraw/zinc/03/46/29/177034629.db2.gz YVXAMXDIXFRUAD-LLVKDONJSA-N 0 3 239.359 3.326 20 0 BGADHN C[C@@H](c1ccc(F)cc1)N1CCCSCC1 ZINC000340808465 176015379 /nfs/dbraw/zinc/01/53/79/176015379.db2.gz YVXAMXDIXFRUAD-NSHDSACASA-N 0 3 239.359 3.326 20 0 BGADHN CC[C@H](C)[C@@H]1CCCCN1Cc1ncc(C)cn1 ZINC000340836890 171382299 /nfs/dbraw/zinc/38/22/99/171382299.db2.gz DQLKDXNYNFDDIE-KBPBESRZSA-N 0 3 247.386 3.186 20 0 BGADHN CC[C@@H](C)[C@@H]1CCCCN1Cc1ncc(C)cn1 ZINC000340836906 386785577 /nfs/dbraw/zinc/78/55/77/386785577.db2.gz DQLKDXNYNFDDIE-KGLIPLIRSA-N 0 3 247.386 3.186 20 0 BGADHN CC[C@H](C)[C@H]1CCCCN1Cc1ncc(C)cn1 ZINC000340836908 386785403 /nfs/dbraw/zinc/78/54/03/386785403.db2.gz DQLKDXNYNFDDIE-UONOGXRCSA-N 0 3 247.386 3.186 20 0 BGADHN CC[C@@H](C)[C@H]1CCCCN1Cc1ncc(C)cn1 ZINC000340836909 386785878 /nfs/dbraw/zinc/78/58/78/386785878.db2.gz DQLKDXNYNFDDIE-ZIAGYGMSSA-N 0 3 247.386 3.186 20 0 BGADHN Cc1cnc(CNC(C)(C)CC(C)(C)C)nc1 ZINC000340854538 386790219 /nfs/dbraw/zinc/79/02/19/386790219.db2.gz XNHZRPUAAZSXPM-UHFFFAOYSA-N 0 3 235.375 3.089 20 0 BGADHN CCCN(C)Cc1cc(Cl)cc2c1OCC2 ZINC000340917190 169080700 /nfs/dbraw/zinc/08/07/00/169080700.db2.gz NRAVYUHWAPCZQH-UHFFFAOYSA-N 0 3 239.746 3.117 20 0 BGADHN CC(C)Cn1cc(CN(C)[C@H](C)C(C)C)cn1 ZINC000340919867 188398486 /nfs/dbraw/zinc/39/84/86/188398486.db2.gz SOUDCIAQVYFFCI-CYBMUJFWSA-N 0 3 237.391 3.015 20 0 BGADHN CC(C)Cn1cc(CN(C)[C@@H](C)C(C)C)cn1 ZINC000340919958 386811829 /nfs/dbraw/zinc/81/18/29/386811829.db2.gz SOUDCIAQVYFFCI-ZDUSSCGKSA-N 0 3 237.391 3.015 20 0 BGADHN CC(C)N(C)Cc1cc(Cl)cc2c1OCC2 ZINC000340924517 188216398 /nfs/dbraw/zinc/21/63/98/188216398.db2.gz URKBTZPJTMKSPK-UHFFFAOYSA-N 0 3 239.746 3.115 20 0 BGADHN CCC[C@@H](C)N(C)Cc1cnn(CC(C)C)c1 ZINC000340926972 169365707 /nfs/dbraw/zinc/36/57/07/169365707.db2.gz WIRBZHHVINDDPX-CYBMUJFWSA-N 0 3 237.391 3.160 20 0 BGADHN CCC[C@H](C)N(C)Cc1cnn(CC(C)C)c1 ZINC000340926973 386803193 /nfs/dbraw/zinc/80/31/93/386803193.db2.gz WIRBZHHVINDDPX-ZDUSSCGKSA-N 0 3 237.391 3.160 20 0 BGADHN CCSCCN(C)Cc1cccc(C)c1 ZINC000340941323 386802842 /nfs/dbraw/zinc/80/28/42/386802842.db2.gz PPFGDUJWYUIABE-UHFFFAOYSA-N 0 3 223.385 3.180 20 0 BGADHN CCCCN(Cc1cnn(CC(C)C)c1)C1CC1 ZINC000340959204 386808349 /nfs/dbraw/zinc/80/83/49/386808349.db2.gz UUDZQLKQHCJDID-UHFFFAOYSA-N 0 3 249.402 3.304 20 0 BGADHN FC1(CCNc2ccnc3ccccc32)CCC1 ZINC000340987548 386811952 /nfs/dbraw/zinc/81/19/52/386811952.db2.gz ZTJUVSWJOALPQN-UHFFFAOYSA-N 0 3 244.313 3.351 20 0 BGADHN Cc1cnc(CNCCCCC(C)(C)C)n1C ZINC000341004518 386814235 /nfs/dbraw/zinc/81/42/35/386814235.db2.gz IHWLWCXNQMRTGC-UHFFFAOYSA-N 0 3 237.391 3.035 20 0 BGADHN Cc1cnc(CNCC[C@H]2CCCC[C@@H]2C)n1C ZINC000341004822 386814880 /nfs/dbraw/zinc/81/48/80/386814880.db2.gz CSBDYIZUGJDWAT-GXTWGEPZSA-N 0 3 249.402 3.035 20 0 BGADHN Cc1cnc(CNCC[C@@H]2CCCC[C@@H]2C)n1C ZINC000341004823 386814784 /nfs/dbraw/zinc/81/47/84/386814784.db2.gz CSBDYIZUGJDWAT-JSGCOSHPSA-N 0 3 249.402 3.035 20 0 BGADHN Cc1cnc(CNCC[C@@H]2CCCC[C@H]2C)n1C ZINC000341004824 386813615 /nfs/dbraw/zinc/81/36/15/386813615.db2.gz CSBDYIZUGJDWAT-OCCSQVGLSA-N 0 3 249.402 3.035 20 0 BGADHN Cc1cnc(CNCC[C@H]2CCCC[C@H]2C)n1C ZINC000341004825 386813512 /nfs/dbraw/zinc/81/35/12/386813512.db2.gz CSBDYIZUGJDWAT-TZMCWYRMSA-N 0 3 249.402 3.035 20 0 BGADHN CC[C@@H](C)CN(C)Cc1c(C)nc2ccccn21 ZINC000341005745 386813897 /nfs/dbraw/zinc/81/38/97/386813897.db2.gz CDMOQDZNSKJXMI-GFCCVEGCSA-N 0 3 245.370 3.121 20 0 BGADHN CC[C@H](C)CN(C)Cc1c(C)nc2ccccn21 ZINC000341005746 171274384 /nfs/dbraw/zinc/27/43/84/171274384.db2.gz CDMOQDZNSKJXMI-LBPRGKRZSA-N 0 3 245.370 3.121 20 0 BGADHN Cc1cnc(CNCCCCC2CCCC2)n1C ZINC000341006823 386817041 /nfs/dbraw/zinc/81/70/41/386817041.db2.gz DCYUXLIRMJMMPX-UHFFFAOYSA-N 0 3 249.402 3.179 20 0 BGADHN CC[C@H](NCc1cn2cc(C)ccc2n1)C(C)C ZINC000341008082 386815946 /nfs/dbraw/zinc/81/59/46/386815946.db2.gz KKGKBCGXANTPOE-AWEZNQCLSA-N 0 3 245.370 3.167 20 0 BGADHN CC[C@@H](NCc1cn2cc(C)ccc2n1)C(C)C ZINC000341008089 352684977 /nfs/dbraw/zinc/68/49/77/352684977.db2.gz KKGKBCGXANTPOE-CQSZACIVSA-N 0 3 245.370 3.167 20 0 BGADHN C(CC1CCCC1)CN1CCOC[C@H]1C1CC1 ZINC000341008879 188398517 /nfs/dbraw/zinc/39/85/17/188398517.db2.gz KNZPJTRZJKMGEH-HNNXBMFYSA-N 0 3 237.387 3.068 20 0 BGADHN C(CC1CCCC1)CN1CCOC[C@@H]1C1CC1 ZINC000341008880 386817607 /nfs/dbraw/zinc/81/76/07/386817607.db2.gz KNZPJTRZJKMGEH-OAHLLOKOSA-N 0 3 237.387 3.068 20 0 BGADHN CC[C@@H](C)CN(C)Cc1ccccc1F ZINC000341016557 386817501 /nfs/dbraw/zinc/81/75/01/386817501.db2.gz TXUWSIPNOCBSMN-LLVKDONJSA-N 0 3 209.308 3.304 20 0 BGADHN CC[C@H](C)CN(C)Cc1ccccc1F ZINC000341016569 171273536 /nfs/dbraw/zinc/27/35/36/171273536.db2.gz TXUWSIPNOCBSMN-NSHDSACASA-N 0 3 209.308 3.304 20 0 BGADHN Cc1cnc(CN[C@H]2CCC[C@H](C(C)C)C2)n1C ZINC000341023286 398182651 /nfs/dbraw/zinc/18/26/51/398182651.db2.gz SCSCEVILFVMVMY-KBPBESRZSA-N 0 3 249.402 3.033 20 0 BGADHN Cc1cnc(CN[C@H]2CCC[C@@H](C(C)C)C2)n1C ZINC000341023289 398182335 /nfs/dbraw/zinc/18/23/35/398182335.db2.gz SCSCEVILFVMVMY-KGLIPLIRSA-N 0 3 249.402 3.033 20 0 BGADHN Cc1cnc(CN[C@@H]2CCC[C@H](C(C)C)C2)n1C ZINC000341023292 398182342 /nfs/dbraw/zinc/18/23/42/398182342.db2.gz SCSCEVILFVMVMY-UONOGXRCSA-N 0 3 249.402 3.033 20 0 BGADHN Cc1cnc(CN[C@@H]2CCC[C@@H](C(C)C)C2)n1C ZINC000341023295 398182642 /nfs/dbraw/zinc/18/26/42/398182642.db2.gz SCSCEVILFVMVMY-ZIAGYGMSSA-N 0 3 249.402 3.033 20 0 BGADHN Cc1cnc(CNCC[C@H]2CCC[C@H](C)C2)n1C ZINC000341025873 179604741 /nfs/dbraw/zinc/60/47/41/179604741.db2.gz YZGRHRBMKQGDES-GXTWGEPZSA-N 0 3 249.402 3.035 20 0 BGADHN Cc1cnc(CNCC[C@@H]2CCC[C@H](C)C2)n1C ZINC000341025874 179604106 /nfs/dbraw/zinc/60/41/06/179604106.db2.gz YZGRHRBMKQGDES-JSGCOSHPSA-N 0 3 249.402 3.035 20 0 BGADHN Cc1cnc(CNCC[C@@H]2CCC[C@@H](C)C2)n1C ZINC000341025876 386823912 /nfs/dbraw/zinc/82/39/12/386823912.db2.gz YZGRHRBMKQGDES-OCCSQVGLSA-N 0 3 249.402 3.035 20 0 BGADHN Cc1cnc(CNCC[C@H]2CCC[C@@H](C)C2)n1C ZINC000341025877 386824221 /nfs/dbraw/zinc/82/42/21/386824221.db2.gz YZGRHRBMKQGDES-TZMCWYRMSA-N 0 3 249.402 3.035 20 0 BGADHN Cc1ccc2nc(CNCCC(C)(C)C)cn2c1 ZINC000341042867 386828804 /nfs/dbraw/zinc/82/88/04/386828804.db2.gz OHVHLBFFWKNUCL-UHFFFAOYSA-N 0 3 245.370 3.169 20 0 BGADHN CCCC[C@H]1CCC[C@@H]1NCc1ncc(C)n1C ZINC000341043947 169014190 /nfs/dbraw/zinc/01/41/90/169014190.db2.gz JPPAATKXKQHUCV-KBPBESRZSA-N 0 3 249.402 3.177 20 0 BGADHN CCCC[C@@H]1CCC[C@@H]1NCc1ncc(C)n1C ZINC000341043949 386828404 /nfs/dbraw/zinc/82/84/04/386828404.db2.gz JPPAATKXKQHUCV-KGLIPLIRSA-N 0 3 249.402 3.177 20 0 BGADHN CCCC[C@H]1CCC[C@H]1NCc1ncc(C)n1C ZINC000341043952 169014139 /nfs/dbraw/zinc/01/41/39/169014139.db2.gz JPPAATKXKQHUCV-UONOGXRCSA-N 0 3 249.402 3.177 20 0 BGADHN CCCC[C@@H]1CCC[C@H]1NCc1ncc(C)n1C ZINC000341043954 386828930 /nfs/dbraw/zinc/82/89/30/386828930.db2.gz JPPAATKXKQHUCV-ZIAGYGMSSA-N 0 3 249.402 3.177 20 0 BGADHN CCC1CCC(CNCc2ncc(C)n2C)CC1 ZINC000341055786 386831198 /nfs/dbraw/zinc/83/11/98/386831198.db2.gz YLWMWZQBNNNQFO-UHFFFAOYSA-N 0 3 249.402 3.035 20 0 BGADHN Cc1cnc(CN[C@H](C)CCC(C)(C)C)n1C ZINC000341058997 386830245 /nfs/dbraw/zinc/83/02/45/386830245.db2.gz WNAFTPHHIIPKKO-LLVKDONJSA-N 0 3 237.391 3.033 20 0 BGADHN Cc1cnc(CN[C@@H](C)CCC(C)(C)C)n1C ZINC000341061624 386831582 /nfs/dbraw/zinc/83/15/82/386831582.db2.gz WNAFTPHHIIPKKO-NSHDSACASA-N 0 3 237.391 3.033 20 0 BGADHN Cc1cnc(CNC(C)(C)CC(C)(C)C)n1C ZINC000341096243 386837124 /nfs/dbraw/zinc/83/71/24/386837124.db2.gz UUZRSPBRAKGNAB-UHFFFAOYSA-N 0 3 237.391 3.033 20 0 BGADHN CCCC[C@@H](CC)CNCc1ncc(C)n1C ZINC000341107055 352688556 /nfs/dbraw/zinc/68/85/56/352688556.db2.gz AEKDBYFZTOXQJT-CYBMUJFWSA-N 0 3 237.391 3.035 20 0 BGADHN CCCC[C@H](CC)CNCc1ncc(C)n1C ZINC000341107056 352688676 /nfs/dbraw/zinc/68/86/76/352688676.db2.gz AEKDBYFZTOXQJT-ZDUSSCGKSA-N 0 3 237.391 3.035 20 0 BGADHN Cc1cnc(CNCCCC2CCCCC2)n1C ZINC000341107119 386839997 /nfs/dbraw/zinc/83/99/97/386839997.db2.gz AGHWCOJLJHDHDP-UHFFFAOYSA-N 0 3 249.402 3.179 20 0 BGADHN CC[C@@]1(C)CCN(Cc2cnn(CC(C)C)c2)C1 ZINC000341125200 171202307 /nfs/dbraw/zinc/20/23/07/171202307.db2.gz BSYIVLFGFFFLBG-HNNXBMFYSA-N 0 3 249.402 3.161 20 0 BGADHN CC[C@]1(C)CCN(Cc2cnn(CC(C)C)c2)C1 ZINC000341125201 386842736 /nfs/dbraw/zinc/84/27/36/386842736.db2.gz BSYIVLFGFFFLBG-OAHLLOKOSA-N 0 3 249.402 3.161 20 0 BGADHN CCCC1CCC(NCc2ncc(C)n2C)CC1 ZINC000341126858 386842116 /nfs/dbraw/zinc/84/21/16/386842116.db2.gz UPISQRFJANYXFI-UHFFFAOYSA-N 0 3 249.402 3.177 20 0 BGADHN CC(C)Cn1cc(CN2CCCCC[C@@H]2C)cn1 ZINC000341130064 386855972 /nfs/dbraw/zinc/85/59/72/386855972.db2.gz HBDOOYPWQPNZAB-AWEZNQCLSA-N 0 3 249.402 3.304 20 0 BGADHN CC(C)Cn1cc(CN2CCCCC[C@H]2C)cn1 ZINC000341130065 188043527 /nfs/dbraw/zinc/04/35/27/188043527.db2.gz HBDOOYPWQPNZAB-CQSZACIVSA-N 0 3 249.402 3.304 20 0 BGADHN CCC(C)(C)N(C)Cc1cnn(CC(C)C)c1 ZINC000341134519 168288216 /nfs/dbraw/zinc/28/82/16/168288216.db2.gz KRLOMACOVMCDOA-UHFFFAOYSA-N 0 3 237.391 3.160 20 0 BGADHN Cc1cnc(CN[C@H](C)CCCC(C)C)n1C ZINC000341145047 386844224 /nfs/dbraw/zinc/84/42/24/386844224.db2.gz XZJAJBMRGVLHNW-GFCCVEGCSA-N 0 3 237.391 3.033 20 0 BGADHN Cc1cnc(CN[C@@H](C)CCCC(C)C)n1C ZINC000341145051 386844652 /nfs/dbraw/zinc/84/46/52/386844652.db2.gz XZJAJBMRGVLHNW-LBPRGKRZSA-N 0 3 237.391 3.033 20 0 BGADHN CC[C@H]1CCCN1Cc1cn2cc(C)ccc2n1 ZINC000341175167 386851784 /nfs/dbraw/zinc/85/17/84/386851784.db2.gz YXSFXBGUXBTDEZ-AWEZNQCLSA-N 0 3 243.354 3.017 20 0 BGADHN CC[C@@H]1CCCN1Cc1cn2cc(C)ccc2n1 ZINC000341175168 352694428 /nfs/dbraw/zinc/69/44/28/352694428.db2.gz YXSFXBGUXBTDEZ-CQSZACIVSA-N 0 3 243.354 3.017 20 0 BGADHN CCC1CCN(Cc2cnn(CC(C)C)c2)CC1 ZINC000341175785 386853471 /nfs/dbraw/zinc/85/34/71/386853471.db2.gz FLUOAUDURHKDAP-UHFFFAOYSA-N 0 3 249.402 3.161 20 0 BGADHN CC(C)Cn1cc(CN(C)CC(C)(C)C)cn1 ZINC000341177703 386852422 /nfs/dbraw/zinc/85/24/22/386852422.db2.gz PUNKJPIRBKPQNO-UHFFFAOYSA-N 0 3 237.391 3.017 20 0 BGADHN Cc1ccncc1CN1CCC(C)(C)CC1 ZINC000341182784 386852787 /nfs/dbraw/zinc/85/27/87/386852787.db2.gz CLNBJLAYCVMKDX-UHFFFAOYSA-N 0 3 218.344 3.012 20 0 BGADHN C[C@H](c1ccccn1)N1CCC(C)(C)CC1 ZINC000341191817 177044069 /nfs/dbraw/zinc/04/40/69/177044069.db2.gz OVHKGMAPPQGVSL-GFCCVEGCSA-N 0 3 218.344 3.265 20 0 BGADHN C[C@@H](c1ccccn1)N1CCC(C)(C)CC1 ZINC000341191820 176028298 /nfs/dbraw/zinc/02/82/98/176028298.db2.gz OVHKGMAPPQGVSL-LBPRGKRZSA-N 0 3 218.344 3.265 20 0 BGADHN COCC1(NCc2coc3ccccc23)CCC1 ZINC000341208010 174110555 /nfs/dbraw/zinc/11/05/55/174110555.db2.gz ASZGYEMHKRIBJN-UHFFFAOYSA-N 0 3 245.322 3.092 20 0 BGADHN CN(CCSc1ccc(F)cc1)C1CC1 ZINC000341222274 386857431 /nfs/dbraw/zinc/85/74/31/386857431.db2.gz AAIREZMAAVMRPP-UHFFFAOYSA-N 0 3 225.332 3.012 20 0 BGADHN CCCc1cccc(CNC2(COC)CCC2)c1 ZINC000341228377 386857596 /nfs/dbraw/zinc/85/75/96/386857596.db2.gz RKJNCZWYUZAFGG-UHFFFAOYSA-N 0 3 247.382 3.298 20 0 BGADHN Cc1cnc(CN[C@H]2CCC(C)(C)C[C@@H]2C)n1C ZINC000341254914 386867256 /nfs/dbraw/zinc/86/72/56/386867256.db2.gz AKFLKSUMZYDVHR-AAEUAGOBSA-N 0 3 249.402 3.033 20 0 BGADHN Cc1cnc(CN[C@@H]2CCC(C)(C)C[C@H]2C)n1C ZINC000341254915 386868654 /nfs/dbraw/zinc/86/86/54/386868654.db2.gz AKFLKSUMZYDVHR-DGCLKSJQSA-N 0 3 249.402 3.033 20 0 BGADHN Cc1cnc(CN[C@@H]2CCC(C)(C)C[C@@H]2C)n1C ZINC000341254916 386867898 /nfs/dbraw/zinc/86/78/98/386867898.db2.gz AKFLKSUMZYDVHR-WCQYABFASA-N 0 3 249.402 3.033 20 0 BGADHN Cc1cnc(CN[C@H]2CCC(C)(C)C[C@H]2C)n1C ZINC000341254917 386868045 /nfs/dbraw/zinc/86/80/45/386868045.db2.gz AKFLKSUMZYDVHR-YPMHNXCESA-N 0 3 249.402 3.033 20 0 BGADHN CCCC[C@@H](CCC)NCc1ncc(C)n1C ZINC000341257453 352698556 /nfs/dbraw/zinc/69/85/56/352698556.db2.gz GSHIEBMIUOTFTQ-CYBMUJFWSA-N 0 3 237.391 3.177 20 0 BGADHN CCCC[C@H](CCC)NCc1ncc(C)n1C ZINC000341257454 169002358 /nfs/dbraw/zinc/00/23/58/169002358.db2.gz GSHIEBMIUOTFTQ-ZDUSSCGKSA-N 0 3 237.391 3.177 20 0 BGADHN CC(C)=CCC[C@@H](C)NCc1ccc(F)cn1 ZINC000341268083 386872807 /nfs/dbraw/zinc/87/28/07/386872807.db2.gz CQSLNNVXYSCAPH-GFCCVEGCSA-N 0 3 236.334 3.445 20 0 BGADHN CC(C)=CCC[C@H](C)NCc1ccc(F)cn1 ZINC000341268090 386871917 /nfs/dbraw/zinc/87/19/17/386871917.db2.gz CQSLNNVXYSCAPH-LBPRGKRZSA-N 0 3 236.334 3.445 20 0 BGADHN CC/C=C\CCN(C)[C@H](C)c1ccccn1 ZINC000341280552 386876468 /nfs/dbraw/zinc/87/64/68/386876468.db2.gz ALQLQSWCHMUYKW-CFHLNLSMSA-N 0 3 218.344 3.431 20 0 BGADHN CC/C=C\CCN(C)[C@@H](C)c1ccccn1 ZINC000341280556 386876798 /nfs/dbraw/zinc/87/67/98/386876798.db2.gz ALQLQSWCHMUYKW-SZZPACECSA-N 0 3 218.344 3.431 20 0 BGADHN CC/C=C\CCN(C)[C@H](C)c1cccnc1 ZINC000341282492 386876924 /nfs/dbraw/zinc/87/69/24/386876924.db2.gz BWXMNXQWOZZTHA-CFHLNLSMSA-N 0 3 218.344 3.431 20 0 BGADHN CC/C=C\CCN(C)[C@@H](C)c1cccnc1 ZINC000341282493 386876889 /nfs/dbraw/zinc/87/68/89/386876889.db2.gz BWXMNXQWOZZTHA-SZZPACECSA-N 0 3 218.344 3.431 20 0 BGADHN Cc1cnc(CNCC2(C)CCCCCC2)n1C ZINC000341284558 386876708 /nfs/dbraw/zinc/87/67/08/386876708.db2.gz ONUMQFPYGXJXOK-UHFFFAOYSA-N 0 3 249.402 3.179 20 0 BGADHN CC/C=C\CCN(CC)Cc1ccncc1 ZINC000341286754 386879328 /nfs/dbraw/zinc/87/93/28/386879328.db2.gz FFWYNQVIVXAYRJ-WAYWQWQTSA-N 0 3 218.344 3.260 20 0 BGADHN CCC(CC)(CC)CNCc1ncc(C)n1C ZINC000341291472 168316115 /nfs/dbraw/zinc/31/61/15/168316115.db2.gz VBSJEXBYPNZRRI-UHFFFAOYSA-N 0 3 237.391 3.035 20 0 BGADHN Cc1cnc(CNCC(C)(C)C2CCCC2)n1C ZINC000341293010 386864099 /nfs/dbraw/zinc/86/40/99/386864099.db2.gz UBJXDTRTNOZLPG-UHFFFAOYSA-N 0 3 249.402 3.035 20 0 BGADHN Cc1cnc(CNCC2CCC(C)(C)CC2)n1C ZINC000341294007 386864339 /nfs/dbraw/zinc/86/43/39/386864339.db2.gz WZFXUNKYJVAQJB-UHFFFAOYSA-N 0 3 249.402 3.035 20 0 BGADHN CC/C=C\CCN(Cc1cccnc1)C1CC1 ZINC000341296095 386865702 /nfs/dbraw/zinc/86/57/02/386865702.db2.gz LQQRZVALCMJQLJ-ARJAWSKDSA-N 0 3 230.355 3.402 20 0 BGADHN CCC1(CNCc2ncc(C)n2C)CCCCC1 ZINC000341296678 386866353 /nfs/dbraw/zinc/86/63/53/386866353.db2.gz ZPRILRCVVQJVNY-UHFFFAOYSA-N 0 3 249.402 3.179 20 0 BGADHN Cc1cnc(CNCC2(CC(C)C)CCC2)n1C ZINC000341299798 386889409 /nfs/dbraw/zinc/88/94/09/386889409.db2.gz LBQNLSUIAITZFL-UHFFFAOYSA-N 0 3 249.402 3.035 20 0 BGADHN CC/C=C\CCN(Cc1ccncc1)C1CC1 ZINC000341300282 386889345 /nfs/dbraw/zinc/88/93/45/386889345.db2.gz PPDOSNXIPYAOPT-ARJAWSKDSA-N 0 3 230.355 3.402 20 0 BGADHN CC/C=C\CCN1CCc2ccsc2C1 ZINC000341305636 386891214 /nfs/dbraw/zinc/89/12/14/386891214.db2.gz VTYMURYLHWXRKQ-ARJAWSKDSA-N 0 3 221.369 3.463 20 0 BGADHN CC/C=C/CCN1CCc2ccsc2C1 ZINC000341305658 386891240 /nfs/dbraw/zinc/89/12/40/386891240.db2.gz VTYMURYLHWXRKQ-ONEGZZNKSA-N 0 3 221.369 3.463 20 0 BGADHN Cc1cnc(CNC2CCC(C(C)C)CC2)n1C ZINC000341307032 386891192 /nfs/dbraw/zinc/89/11/92/386891192.db2.gz SWJJFUNYTAXBPI-UHFFFAOYSA-N 0 3 249.402 3.033 20 0 BGADHN CC(C)Cn1cc(CN2CCC(C)(C)CC2)cn1 ZINC000341309882 386890792 /nfs/dbraw/zinc/89/07/92/386890792.db2.gz LQNTUBYOOJPPBP-UHFFFAOYSA-N 0 3 249.402 3.161 20 0 BGADHN CC/C=C\CCN(C)[C@H](C)c1ccncc1 ZINC000341310189 167858301 /nfs/dbraw/zinc/85/83/01/167858301.db2.gz CMUPRQCNIMYECL-CFHLNLSMSA-N 0 3 218.344 3.431 20 0 BGADHN CC/C=C\CCN(C)[C@@H](C)c1ccncc1 ZINC000341310190 386892265 /nfs/dbraw/zinc/89/22/65/386892265.db2.gz CMUPRQCNIMYECL-SZZPACECSA-N 0 3 218.344 3.431 20 0 BGADHN CC/C=C\CCN1CCc2ccc(O)cc2C1 ZINC000341317750 386879990 /nfs/dbraw/zinc/87/99/90/386879990.db2.gz KYIJHNWMXORLFN-ARJAWSKDSA-N 0 3 231.339 3.107 20 0 BGADHN CC/C=C/CCN1CCc2ccc(O)cc2C1 ZINC000341317751 386878566 /nfs/dbraw/zinc/87/85/66/386878566.db2.gz KYIJHNWMXORLFN-ONEGZZNKSA-N 0 3 231.339 3.107 20 0 BGADHN CC/C=C/CCN(C)Cc1cccc(C)n1 ZINC000341320377 188217429 /nfs/dbraw/zinc/21/74/29/188217429.db2.gz PFZZFVCCODJYNH-AATRIKPKSA-N 0 3 218.344 3.178 20 0 BGADHN CC/C=C\CCN(C)Cc1cccc(C)n1 ZINC000341320380 386879270 /nfs/dbraw/zinc/87/92/70/386879270.db2.gz PFZZFVCCODJYNH-WAYWQWQTSA-N 0 3 218.344 3.178 20 0 BGADHN Cc1cnc(CNCCC2=CCCCCC2)n1C ZINC000341354817 386905457 /nfs/dbraw/zinc/90/54/57/386905457.db2.gz OMBWPROXUMLYRH-UHFFFAOYSA-N 0 3 247.386 3.099 20 0 BGADHN Cc1nn(C(C)C)cc1CN[C@H]1CC12CCCC2 ZINC000341381181 188043652 /nfs/dbraw/zinc/04/36/52/188043652.db2.gz UNOJSTXOXMDJDM-AWEZNQCLSA-N 0 3 247.386 3.195 20 0 BGADHN Cc1nn(C(C)C)cc1CN[C@@H]1CC12CCCC2 ZINC000341381184 188217916 /nfs/dbraw/zinc/21/79/16/188217916.db2.gz UNOJSTXOXMDJDM-CQSZACIVSA-N 0 3 247.386 3.195 20 0 BGADHN Cc1cnc(CNCC2(C)CCC(C)CC2)n1C ZINC000341391800 386901885 /nfs/dbraw/zinc/90/18/85/386901885.db2.gz USOVBJZKDZDSFA-UHFFFAOYSA-N 0 3 249.402 3.035 20 0 BGADHN Cc1cnc(CN[C@H](C)CC2CCCCC2)n1C ZINC000341393270 386900922 /nfs/dbraw/zinc/90/09/22/386900922.db2.gz WCYHYISQAWOUIZ-GFCCVEGCSA-N 0 3 249.402 3.177 20 0 BGADHN Cc1cnc(CN[C@@H](C)CC2CCCCC2)n1C ZINC000341393272 179606517 /nfs/dbraw/zinc/60/65/17/179606517.db2.gz WCYHYISQAWOUIZ-LBPRGKRZSA-N 0 3 249.402 3.177 20 0 BGADHN Cc1ccc2nc(CN[C@H](C)CC(C)C)cn2c1 ZINC000341398043 386904482 /nfs/dbraw/zinc/90/44/82/386904482.db2.gz RGJYIAJQSIDADJ-CYBMUJFWSA-N 0 3 245.370 3.167 20 0 BGADHN Cc1ccc2nc(CN[C@@H](C)CC(C)C)cn2c1 ZINC000341398051 386903744 /nfs/dbraw/zinc/90/37/44/386903744.db2.gz RGJYIAJQSIDADJ-ZDUSSCGKSA-N 0 3 245.370 3.167 20 0 BGADHN COc1ncccc1CN[C@H](C)CCC=C(C)C ZINC000341435071 386910137 /nfs/dbraw/zinc/91/01/37/386910137.db2.gz GQZZJGDZZBCUNW-CYBMUJFWSA-N 0 3 248.370 3.315 20 0 BGADHN COc1ncccc1CN[C@@H](C)CCC=C(C)C ZINC000341435072 386910585 /nfs/dbraw/zinc/91/05/85/386910585.db2.gz GQZZJGDZZBCUNW-ZDUSSCGKSA-N 0 3 248.370 3.315 20 0 BGADHN Fc1ccccc1SCCN1CCCCC1 ZINC000341447540 386905686 /nfs/dbraw/zinc/90/56/86/386905686.db2.gz CYNYASNQSIBRGK-UHFFFAOYSA-N 0 3 239.359 3.404 20 0 BGADHN CC[C@@]1(C)C[C@H]1C(=O)N(C)Cc1cccs1 ZINC000341468248 171207326 /nfs/dbraw/zinc/20/73/26/171207326.db2.gz RZUMMPUXMFIVTP-AAEUAGOBSA-N 0 3 237.368 3.143 20 0 BGADHN CCOc1cccc(CNC[C@H]2CCC[C@H]2C)n1 ZINC000341483624 386912118 /nfs/dbraw/zinc/91/21/18/386912118.db2.gz LCMVMGFBFRDBOX-CHWSQXEVSA-N 0 3 248.370 3.006 20 0 BGADHN CCOc1cccc(CNC[C@@H]2CCC[C@H]2C)n1 ZINC000341483625 386912216 /nfs/dbraw/zinc/91/22/16/386912216.db2.gz LCMVMGFBFRDBOX-OLZOCXBDSA-N 0 3 248.370 3.006 20 0 BGADHN CCOc1cccc(CNC[C@H]2CCC[C@@H]2C)n1 ZINC000341483627 386912240 /nfs/dbraw/zinc/91/22/40/386912240.db2.gz LCMVMGFBFRDBOX-QWHCGFSZSA-N 0 3 248.370 3.006 20 0 BGADHN CCOc1cccc(CNC[C@@H]2CCC[C@@H]2C)n1 ZINC000341483629 386912645 /nfs/dbraw/zinc/91/26/45/386912645.db2.gz LCMVMGFBFRDBOX-STQMWFEESA-N 0 3 248.370 3.006 20 0 BGADHN CC(C)COc1ccccc1CNC1CCC1 ZINC000341514051 187868145 /nfs/dbraw/zinc/86/81/45/187868145.db2.gz VDSYCCJBUJDQFT-UHFFFAOYSA-N 0 3 233.355 3.364 20 0 BGADHN CCC[C@H]1CCCN(Cc2cccc(C)n2)C1 ZINC000341545769 386923238 /nfs/dbraw/zinc/92/32/38/386923238.db2.gz LKWFGHHPVZSPNB-AWEZNQCLSA-N 0 3 232.371 3.402 20 0 BGADHN CCC[C@@H]1CCCN(Cc2cccc(C)n2)C1 ZINC000341545771 386923393 /nfs/dbraw/zinc/92/33/93/386923393.db2.gz LKWFGHHPVZSPNB-CQSZACIVSA-N 0 3 232.371 3.402 20 0 BGADHN CCC[C@@H]1CCCN(Cc2cccc(OC)n2)C1 ZINC000341550569 386923130 /nfs/dbraw/zinc/92/31/30/386923130.db2.gz RLCBEILPVLTPLQ-CYBMUJFWSA-N 0 3 248.370 3.102 20 0 BGADHN CCC[C@H]1CCCN(Cc2cccc(OC)n2)C1 ZINC000341550570 386923271 /nfs/dbraw/zinc/92/32/71/386923271.db2.gz RLCBEILPVLTPLQ-ZDUSSCGKSA-N 0 3 248.370 3.102 20 0 BGADHN CN1CCC(Nc2ccc(F)c(C3CC3)c2)CC1 ZINC000341550991 188044808 /nfs/dbraw/zinc/04/48/08/188044808.db2.gz FHZAXRNVVNVXLP-UHFFFAOYSA-N 0 3 248.345 3.209 20 0 BGADHN Fc1ccc2c(c1)[C@H](NC[C@@H]1CC=CCC1)CO2 ZINC000341555508 386925402 /nfs/dbraw/zinc/92/54/02/386925402.db2.gz BBHFIYIHNXMIPD-BXUZGUMPSA-N 0 3 247.313 3.205 20 0 BGADHN Fc1ccc2c(c1)[C@@H](NC[C@H]1CC=CCC1)CO2 ZINC000341555509 386924765 /nfs/dbraw/zinc/92/47/65/386924765.db2.gz BBHFIYIHNXMIPD-FZMZJTMJSA-N 0 3 247.313 3.205 20 0 BGADHN Fc1ccc2c(c1)[C@@H](NC[C@@H]1CC=CCC1)CO2 ZINC000341555511 386926460 /nfs/dbraw/zinc/92/64/60/386926460.db2.gz BBHFIYIHNXMIPD-RISCZKNCSA-N 0 3 247.313 3.205 20 0 BGADHN Fc1ccc2c(c1)[C@H](NC[C@H]1CC=CCC1)CO2 ZINC000341555512 386925761 /nfs/dbraw/zinc/92/57/61/386925761.db2.gz BBHFIYIHNXMIPD-SMDDNHRTSA-N 0 3 247.313 3.205 20 0 BGADHN CCN(Cc1nc2cccnc2s1)C1CCC1 ZINC000341557104 352711219 /nfs/dbraw/zinc/71/12/19/352711219.db2.gz CQPDXNDQTHGFOI-UHFFFAOYSA-N 0 3 247.367 3.066 20 0 BGADHN CN(C)CCSCc1c(F)cccc1Cl ZINC000341557999 386916866 /nfs/dbraw/zinc/91/68/66/386916866.db2.gz WRKPDYUUHYSNAD-UHFFFAOYSA-N 0 3 247.766 3.274 20 0 BGADHN CC[C@H](C)CN(C)Cc1nc2cccnc2s1 ZINC000341582193 171274254 /nfs/dbraw/zinc/27/42/54/171274254.db2.gz IOHVAAVTQHURIE-JTQLQIEISA-N 0 3 249.383 3.169 20 0 BGADHN CC[C@@H](C)CN(C)Cc1nc2cccnc2s1 ZINC000341582194 386926280 /nfs/dbraw/zinc/92/62/80/386926280.db2.gz IOHVAAVTQHURIE-SNVBAGLBSA-N 0 3 249.383 3.169 20 0 BGADHN CCC[C@@H]1CCCN(Cc2ccc(OC)nc2)C1 ZINC000341606983 386933275 /nfs/dbraw/zinc/93/32/75/386933275.db2.gz GXVNQEXVGFKQGZ-CYBMUJFWSA-N 0 3 248.370 3.102 20 0 BGADHN CCC[C@H]1CCCN(Cc2ccc(OC)nc2)C1 ZINC000341606987 386934294 /nfs/dbraw/zinc/93/42/94/386934294.db2.gz GXVNQEXVGFKQGZ-ZDUSSCGKSA-N 0 3 248.370 3.102 20 0 BGADHN CCCCN(CC)Cc1nc2cccnc2s1 ZINC000341607890 386934245 /nfs/dbraw/zinc/93/42/45/386934245.db2.gz CLHPRLKUQIRWLB-UHFFFAOYSA-N 0 3 249.383 3.313 20 0 BGADHN CC(C)[C@H](C)N(C)Cc1nc2cccnc2s1 ZINC000341609300 386934435 /nfs/dbraw/zinc/93/44/35/386934435.db2.gz SMXKEIPCENGXCT-JTQLQIEISA-N 0 3 249.383 3.168 20 0 BGADHN CC(C)[C@@H](C)N(C)Cc1nc2cccnc2s1 ZINC000341609301 167369436 /nfs/dbraw/zinc/36/94/36/167369436.db2.gz SMXKEIPCENGXCT-SNVBAGLBSA-N 0 3 249.383 3.168 20 0 BGADHN CCC[C@H](C)N(C)Cc1nc2cccnc2s1 ZINC000341614408 386935943 /nfs/dbraw/zinc/93/59/43/386935943.db2.gz ZYPHWWOPNCVVCB-JTQLQIEISA-N 0 3 249.383 3.312 20 0 BGADHN CCC[C@@H](C)N(C)Cc1nc2cccnc2s1 ZINC000341614409 169365662 /nfs/dbraw/zinc/36/56/62/169365662.db2.gz ZYPHWWOPNCVVCB-SNVBAGLBSA-N 0 3 249.383 3.312 20 0 BGADHN CN(Cc1ccco1)C1CC(OC(C)(C)C)C1 ZINC000341627097 386942781 /nfs/dbraw/zinc/94/27/81/386942781.db2.gz PLDDVPMNRFKXEK-UHFFFAOYSA-N 0 3 237.343 3.058 20 0 BGADHN CCN(Cc1nc2cccnc2s1)CC(C)C ZINC000341629511 352718321 /nfs/dbraw/zinc/71/83/21/352718321.db2.gz YMNSQDCRFGUIIT-UHFFFAOYSA-N 0 3 249.383 3.169 20 0 BGADHN CCCN(CCC)Cc1nc2cccnc2s1 ZINC000341637041 169150208 /nfs/dbraw/zinc/15/02/08/169150208.db2.gz QTEUWPFCGQRPNY-UHFFFAOYSA-N 0 3 249.383 3.313 20 0 BGADHN Cc1ccccc1CN(C)CCOCC1CCC1 ZINC000341675284 179269090 /nfs/dbraw/zinc/26/90/90/179269090.db2.gz JRLBQCZNWDCHSU-UHFFFAOYSA-N 0 3 247.382 3.244 20 0 BGADHN Cc1cccc(CN(C)CCOCC2CCC2)c1 ZINC000341676477 179067478 /nfs/dbraw/zinc/06/74/78/179067478.db2.gz MOBRWSOSUQJMTK-UHFFFAOYSA-N 0 3 247.382 3.244 20 0 BGADHN C[C@@H](c1ccccc1)N(C)CCOCC1CCC1 ZINC000341677722 176019903 /nfs/dbraw/zinc/01/99/03/176019903.db2.gz POCLXEJNIMNIHF-AWEZNQCLSA-N 0 3 247.382 3.496 20 0 BGADHN C[C@H](c1ccccc1)N(C)CCOCC1CCC1 ZINC000341677723 177038106 /nfs/dbraw/zinc/03/81/06/177038106.db2.gz POCLXEJNIMNIHF-CQSZACIVSA-N 0 3 247.382 3.496 20 0 BGADHN Cc1ccc(CN(C)CCOCC2CCC2)cc1 ZINC000341680597 386942885 /nfs/dbraw/zinc/94/28/85/386942885.db2.gz XJXXTQZQKUJUQC-UHFFFAOYSA-N 0 3 247.382 3.244 20 0 BGADHN CC[C@H](NC1CCC(C)CC1)c1nccn1C ZINC000341685118 386950457 /nfs/dbraw/zinc/95/04/57/386950457.db2.gz QSIDHWKRJNAYTN-BPCQOVAHSA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@@H](NC1CCC(C)CC1)c1nccn1C ZINC000341685119 386951079 /nfs/dbraw/zinc/95/10/79/386951079.db2.gz QSIDHWKRJNAYTN-WXRRBKDZSA-N 0 3 235.375 3.040 20 0 BGADHN CCC(C)(C)N(C)Cc1nc2cccnc2s1 ZINC000341688603 168287387 /nfs/dbraw/zinc/28/73/87/168287387.db2.gz QKVAKBSEGJPBQV-UHFFFAOYSA-N 0 3 249.383 3.312 20 0 BGADHN C[C@H](N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1nccn1C ZINC000341704063 386953151 /nfs/dbraw/zinc/95/31/51/386953151.db2.gz ZWLOWHJDJMPTIV-IGQOVBAYSA-N 0 3 247.386 3.040 20 0 BGADHN C[C@H](N[C@@H]1CC[C@H]2CCC[C@@H]2C1)c1nccn1C ZINC000341704065 386953017 /nfs/dbraw/zinc/95/30/17/386953017.db2.gz ZWLOWHJDJMPTIV-REWJHTLYSA-N 0 3 247.386 3.040 20 0 BGADHN C[C@H](N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1nccn1C ZINC000341704066 386952480 /nfs/dbraw/zinc/95/24/80/386952480.db2.gz ZWLOWHJDJMPTIV-RFQIPJPRSA-N 0 3 247.386 3.040 20 0 BGADHN C[C@H](N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1nccn1C ZINC000341704069 386953515 /nfs/dbraw/zinc/95/35/15/386953515.db2.gz ZWLOWHJDJMPTIV-XDQVBPFNSA-N 0 3 247.386 3.040 20 0 BGADHN C[C@H](NCC[C@H]1CCCC[C@H]1C)c1nccn1C ZINC000341714477 386955180 /nfs/dbraw/zinc/95/51/80/386955180.db2.gz TUHSDXVIKOAZGA-HZSPNIEDSA-N 0 3 249.402 3.287 20 0 BGADHN C[C@H](NCC[C@@H]1CCCC[C@@H]1C)c1nccn1C ZINC000341714480 386954626 /nfs/dbraw/zinc/95/46/26/386954626.db2.gz TUHSDXVIKOAZGA-IHRRRGAJSA-N 0 3 249.402 3.287 20 0 BGADHN C[C@H](NCC[C@H]1CCCC[C@@H]1C)c1nccn1C ZINC000341714481 386955469 /nfs/dbraw/zinc/95/54/69/386955469.db2.gz TUHSDXVIKOAZGA-MELADBBJSA-N 0 3 249.402 3.287 20 0 BGADHN C[C@H](NCC[C@@H]1CCCC[C@H]1C)c1nccn1C ZINC000341714483 386955674 /nfs/dbraw/zinc/95/56/74/386955674.db2.gz TUHSDXVIKOAZGA-RDBSUJKOSA-N 0 3 249.402 3.287 20 0 BGADHN CC[C@H](NCCC1CCCCC1)c1nccn1C ZINC000341755789 386960998 /nfs/dbraw/zinc/96/09/98/386960998.db2.gz ANZIZNNCJQCRJS-AWEZNQCLSA-N 0 3 249.402 3.431 20 0 BGADHN CC[C@@H](NCCC1CCCCC1)c1nccn1C ZINC000341755790 386961621 /nfs/dbraw/zinc/96/16/21/386961621.db2.gz ANZIZNNCJQCRJS-CQSZACIVSA-N 0 3 249.402 3.431 20 0 BGADHN CC[C@@H](NCC1CCCCC1)c1nccn1C ZINC000341756134 386961339 /nfs/dbraw/zinc/96/13/39/386961339.db2.gz CGZBEBPSHBQQST-CYBMUJFWSA-N 0 3 235.375 3.041 20 0 BGADHN CC[C@H](NCC1CCCCC1)c1nccn1C ZINC000341756136 386961087 /nfs/dbraw/zinc/96/10/87/386961087.db2.gz CGZBEBPSHBQQST-ZDUSSCGKSA-N 0 3 235.375 3.041 20 0 BGADHN CC(C)[C@H](C)N(C)Cc1cccc(F)c1F ZINC000341804817 187356845 /nfs/dbraw/zinc/35/68/45/187356845.db2.gz CPIGEMHJZUNOBF-JTQLQIEISA-N 0 3 227.298 3.441 20 0 BGADHN CC(C)[C@@H](C)N(C)Cc1cccc(F)c1F ZINC000341804819 167368417 /nfs/dbraw/zinc/36/84/17/167368417.db2.gz CPIGEMHJZUNOBF-SNVBAGLBSA-N 0 3 227.298 3.441 20 0 BGADHN CCCC[C@H](NCCF)c1ccc(OC)cc1 ZINC000341807968 169011871 /nfs/dbraw/zinc/01/18/71/169011871.db2.gz RDJMJMYEJCWKET-AWEZNQCLSA-N 0 3 239.334 3.486 20 0 BGADHN CCCC[C@@H](NCCF)c1ccc(OC)cc1 ZINC000341807969 352728336 /nfs/dbraw/zinc/72/83/36/352728336.db2.gz RDJMJMYEJCWKET-CQSZACIVSA-N 0 3 239.334 3.486 20 0 BGADHN C[C@H](CN[C@@H](C)c1cccc(O)c1)C(F)(F)F ZINC000341808167 386973488 /nfs/dbraw/zinc/97/34/88/386973488.db2.gz NVXXRVYJRPFTRF-BDAKNGLRSA-N 0 3 247.260 3.241 20 0 BGADHN C[C@@H](NC[C@H](C)C(F)(F)F)c1cccc(O)c1 ZINC000341808168 386973893 /nfs/dbraw/zinc/97/38/93/386973893.db2.gz NVXXRVYJRPFTRF-DTWKUNHWSA-N 0 3 247.260 3.241 20 0 BGADHN C[C@H](NC[C@H](C)C(F)(F)F)c1cccc(O)c1 ZINC000341808169 386974339 /nfs/dbraw/zinc/97/43/39/386974339.db2.gz NVXXRVYJRPFTRF-IUCAKERBSA-N 0 3 247.260 3.241 20 0 BGADHN C[C@@H](NC[C@@H](C)C(F)(F)F)c1cccc(O)c1 ZINC000341808170 188045195 /nfs/dbraw/zinc/04/51/95/188045195.db2.gz NVXXRVYJRPFTRF-RKDXNWHRSA-N 0 3 247.260 3.241 20 0 BGADHN COc1ccc(F)cc1CN(C)[C@H](C)C(C)C ZINC000341811206 175129017 /nfs/dbraw/zinc/12/90/17/175129017.db2.gz TUIXSWLRHTXUCZ-LLVKDONJSA-N 0 3 239.334 3.311 20 0 BGADHN COc1ccc(F)cc1CN(C)[C@@H](C)C(C)C ZINC000341811207 175129268 /nfs/dbraw/zinc/12/92/68/175129268.db2.gz TUIXSWLRHTXUCZ-NSHDSACASA-N 0 3 239.334 3.311 20 0 BGADHN CC(C)[C@@H](C)N(C)Cc1ccccc1F ZINC000341815322 167367249 /nfs/dbraw/zinc/36/72/49/167367249.db2.gz WRILXBKTYRARTD-LLVKDONJSA-N 0 3 209.308 3.302 20 0 BGADHN CC(C)[C@H](C)N(C)Cc1ccccc1F ZINC000341815323 188045144 /nfs/dbraw/zinc/04/51/44/188045144.db2.gz WRILXBKTYRARTD-NSHDSACASA-N 0 3 209.308 3.302 20 0 BGADHN Cc1cc([C@H]2CCCN2CCCCCF)on1 ZINC000341829234 178266411 /nfs/dbraw/zinc/26/64/11/178266411.db2.gz AFPUKIRYJOEGAR-GFCCVEGCSA-N 0 3 240.322 3.260 20 0 BGADHN Cc1cc([C@@H]2CCCN2CCCCCF)on1 ZINC000341829235 178240615 /nfs/dbraw/zinc/24/06/15/178240615.db2.gz AFPUKIRYJOEGAR-LBPRGKRZSA-N 0 3 240.322 3.260 20 0 BGADHN C[C@H](c1ccco1)N(C)CCCCCF ZINC000341833690 177047308 /nfs/dbraw/zinc/04/73/08/177047308.db2.gz PEXOQIXONAMLAX-LLVKDONJSA-N 0 3 213.296 3.412 20 0 BGADHN C[C@@H](c1ccco1)N(C)CCCCCF ZINC000341833691 176031344 /nfs/dbraw/zinc/03/13/44/176031344.db2.gz PEXOQIXONAMLAX-NSHDSACASA-N 0 3 213.296 3.412 20 0 BGADHN CN(CCCCCF)Cc1ccccc1F ZINC000341833695 386971679 /nfs/dbraw/zinc/97/16/79/386971679.db2.gz PFXASHACQMJQIU-UHFFFAOYSA-N 0 3 227.298 3.397 20 0 BGADHN Cc1ccc(CN(C)CCC(C)(C)C)o1 ZINC000341833933 386972150 /nfs/dbraw/zinc/97/21/50/386972150.db2.gz ICLXBCZRULLLBV-UHFFFAOYSA-N 0 3 209.333 3.456 20 0 BGADHN CCn1ccnc1CN(CC(C)C)C1CCCC1 ZINC000341834328 172221044 /nfs/dbraw/zinc/22/10/44/172221044.db2.gz JFNPGJCWIYITQS-UHFFFAOYSA-N 0 3 249.402 3.304 20 0 BGADHN FCCCCCN1CCc2sccc2C1 ZINC000341836413 386977238 /nfs/dbraw/zinc/97/72/38/386977238.db2.gz XUQYJGYDOCCLOU-UHFFFAOYSA-N 0 3 227.348 3.246 20 0 BGADHN FCCCCCN1CCC[C@H](C(F)(F)F)C1 ZINC000341837831 386976440 /nfs/dbraw/zinc/97/64/40/386976440.db2.gz WJOUMKRNJQQRKN-JTQLQIEISA-N 0 3 241.272 3.401 20 0 BGADHN FCCCCCN1CCC[C@@H](C(F)(F)F)C1 ZINC000341837832 386976348 /nfs/dbraw/zinc/97/63/48/386976348.db2.gz WJOUMKRNJQQRKN-SNVBAGLBSA-N 0 3 241.272 3.401 20 0 BGADHN CCCc1ccc(CN2CCC[C@H](OC)C2)cc1 ZINC000341865133 386977561 /nfs/dbraw/zinc/97/75/61/386977561.db2.gz XZNMQXIZMIZLTE-INIZCTEOSA-N 0 3 247.382 3.250 20 0 BGADHN CCCc1ccc(CN2CCC[C@@H](OC)C2)cc1 ZINC000341865134 386975529 /nfs/dbraw/zinc/97/55/29/386975529.db2.gz XZNMQXIZMIZLTE-MRXNPFEDSA-N 0 3 247.382 3.250 20 0 BGADHN COCCN[C@H](c1cc2ccccc2o1)C(C)C ZINC000341877376 174340052 /nfs/dbraw/zinc/34/00/52/174340052.db2.gz OFWNODBRXRNRRX-HNNXBMFYSA-N 0 3 247.338 3.366 20 0 BGADHN COCCN[C@@H](c1cc2ccccc2o1)C(C)C ZINC000341877377 174337815 /nfs/dbraw/zinc/33/78/15/174337815.db2.gz OFWNODBRXRNRRX-OAHLLOKOSA-N 0 3 247.338 3.366 20 0 BGADHN FCCCCCN1CCC(C(F)(F)F)CC1 ZINC000341883197 386983639 /nfs/dbraw/zinc/98/36/39/386983639.db2.gz BFGLXIWFMXYUTK-UHFFFAOYSA-N 0 3 241.272 3.401 20 0 BGADHN CC[C@@H](C)[C@@H](C)NCc1cn2ccc(C)cc2n1 ZINC000341889074 386985837 /nfs/dbraw/zinc/98/58/37/386985837.db2.gz DPLFCYPEQFWJEF-CHWSQXEVSA-N 0 3 245.370 3.167 20 0 BGADHN CC[C@@H](C)[C@H](C)NCc1cn2ccc(C)cc2n1 ZINC000341889076 170791056 /nfs/dbraw/zinc/79/10/56/170791056.db2.gz DPLFCYPEQFWJEF-OLZOCXBDSA-N 0 3 245.370 3.167 20 0 BGADHN CC[C@H](C)[C@@H](C)NCc1cn2ccc(C)cc2n1 ZINC000341889078 171365958 /nfs/dbraw/zinc/36/59/58/171365958.db2.gz DPLFCYPEQFWJEF-QWHCGFSZSA-N 0 3 245.370 3.167 20 0 BGADHN CC[C@H](C)[C@H](C)NCc1cn2ccc(C)cc2n1 ZINC000341889079 171389279 /nfs/dbraw/zinc/38/92/79/171389279.db2.gz DPLFCYPEQFWJEF-STQMWFEESA-N 0 3 245.370 3.167 20 0 BGADHN CC[C@@H](C)N(C)Cc1ccc(C(F)(F)F)cn1 ZINC000341893062 386995610 /nfs/dbraw/zinc/99/56/10/386995610.db2.gz QYIIAWOBSBVRJB-SECBINFHSA-N 0 3 246.276 3.331 20 0 BGADHN CC[C@H](C)N(C)Cc1ccc(C(F)(F)F)cn1 ZINC000341893063 171307949 /nfs/dbraw/zinc/30/79/49/171307949.db2.gz QYIIAWOBSBVRJB-VIFPVBQESA-N 0 3 246.276 3.331 20 0 BGADHN CN(CCCCCF)CCC(F)(F)F ZINC000341896252 386995483 /nfs/dbraw/zinc/99/54/83/386995483.db2.gz YWOCVVXTRRKWHI-UHFFFAOYSA-N 0 3 215.234 3.010 20 0 BGADHN FCCCCCN1CCS[C@@H]2CCCC[C@H]21 ZINC000341896996 386996736 /nfs/dbraw/zinc/99/67/36/386996736.db2.gz PRZYRNVCNZBVRX-CHWSQXEVSA-N 0 3 245.407 3.486 20 0 BGADHN FCCCCCN1CCS[C@H]2CCCC[C@H]21 ZINC000341896997 386996756 /nfs/dbraw/zinc/99/67/56/386996756.db2.gz PRZYRNVCNZBVRX-OLZOCXBDSA-N 0 3 245.407 3.486 20 0 BGADHN FCCCCCN1CCS[C@@H]2CCCC[C@@H]21 ZINC000341896998 386995039 /nfs/dbraw/zinc/99/50/39/386995039.db2.gz PRZYRNVCNZBVRX-QWHCGFSZSA-N 0 3 245.407 3.486 20 0 BGADHN FCCCCCN1CCS[C@H]2CCCC[C@@H]21 ZINC000341897000 386995998 /nfs/dbraw/zinc/99/59/98/386995998.db2.gz PRZYRNVCNZBVRX-STQMWFEESA-N 0 3 245.407 3.486 20 0 BGADHN CC[C@H](NCc1cn2ccc(C)cc2n1)C(C)C ZINC000341901427 386998520 /nfs/dbraw/zinc/99/85/20/386998520.db2.gz RFDGLHBLHYNAGJ-AWEZNQCLSA-N 0 3 245.370 3.167 20 0 BGADHN CC[C@@H](NCc1cn2ccc(C)cc2n1)C(C)C ZINC000341901428 352732932 /nfs/dbraw/zinc/73/29/32/352732932.db2.gz RFDGLHBLHYNAGJ-CQSZACIVSA-N 0 3 245.370 3.167 20 0 BGADHN CC[C@@H](NCCCCCF)c1c(C)noc1C ZINC000341905013 386986701 /nfs/dbraw/zinc/98/67/01/386986701.db2.gz LBLSUASDJYVSPA-GFCCVEGCSA-N 0 3 242.338 3.472 20 0 BGADHN CC[C@H](NCCCCCF)c1c(C)noc1C ZINC000341905014 386988142 /nfs/dbraw/zinc/98/81/42/386988142.db2.gz LBLSUASDJYVSPA-LBPRGKRZSA-N 0 3 242.338 3.472 20 0 BGADHN FCCCCCN1CCc2cc(F)ccc2C1 ZINC000341905629 386988718 /nfs/dbraw/zinc/98/87/18/386988718.db2.gz GBEPEERDMHWNBQ-UHFFFAOYSA-N 0 3 239.309 3.324 20 0 BGADHN FCCCCCN1CC=C(C(F)(F)F)CC1 ZINC000341906314 386988319 /nfs/dbraw/zinc/98/83/19/386988319.db2.gz IFVPPWLNDTVGMY-UHFFFAOYSA-N 0 3 239.256 3.321 20 0 BGADHN CC(C)(C)CCN1CCc2ccc(O)cc2C1 ZINC000341908255 386990922 /nfs/dbraw/zinc/99/09/22/386990922.db2.gz JTVJAMVIIXKBKB-UHFFFAOYSA-N 0 3 233.355 3.187 20 0 BGADHN FCCCCCN1CCc2c(F)cccc2C1 ZINC000341910387 386989953 /nfs/dbraw/zinc/98/99/53/386989953.db2.gz NJFKIWWIFTWQOZ-UHFFFAOYSA-N 0 3 239.309 3.324 20 0 BGADHN FCCCCCN1CCc2ccc(F)cc2C1 ZINC000341911142 386990580 /nfs/dbraw/zinc/99/05/80/386990580.db2.gz SXPGELOIWQPXAF-UHFFFAOYSA-N 0 3 239.309 3.324 20 0 BGADHN CO[C@@H]1CCC[C@H]1CN[C@H](C)c1ccc(C)o1 ZINC000341911492 386989648 /nfs/dbraw/zinc/98/96/48/386989648.db2.gz UZVOYNMUTBZHNE-MBNYWOFBSA-N 0 3 237.343 3.054 20 0 BGADHN CO[C@@H]1CCC[C@@H]1CN[C@@H](C)c1ccc(C)o1 ZINC000341911493 386991207 /nfs/dbraw/zinc/99/12/07/386991207.db2.gz UZVOYNMUTBZHNE-OUCADQQQSA-N 0 3 237.343 3.054 20 0 BGADHN CO[C@@H]1CCC[C@H]1CN[C@@H](C)c1ccc(C)o1 ZINC000341911494 386989711 /nfs/dbraw/zinc/98/97/11/386989711.db2.gz UZVOYNMUTBZHNE-SGMGOOAPSA-N 0 3 237.343 3.054 20 0 BGADHN CO[C@@H]1CCC[C@@H]1CN[C@H](C)c1ccc(C)o1 ZINC000341911495 386990772 /nfs/dbraw/zinc/99/07/72/386990772.db2.gz UZVOYNMUTBZHNE-YRGRVCCFSA-N 0 3 237.343 3.054 20 0 BGADHN Cc1cccc(CN(C)CCC(C)(C)C)n1 ZINC000341913292 179064447 /nfs/dbraw/zinc/06/44/47/179064447.db2.gz RNRIIKBDDOJDSV-UHFFFAOYSA-N 0 3 220.360 3.258 20 0 BGADHN CC[C@@H](NCC1(C)CCCCC1)c1nccn1C ZINC000341915135 386992761 /nfs/dbraw/zinc/99/27/61/386992761.db2.gz XQDUSOTYDIWKBX-CYBMUJFWSA-N 0 3 249.402 3.431 20 0 BGADHN CC[C@H](NCC1(C)CCCCC1)c1nccn1C ZINC000341915136 386992281 /nfs/dbraw/zinc/99/22/81/386992281.db2.gz XQDUSOTYDIWKBX-ZDUSSCGKSA-N 0 3 249.402 3.431 20 0 BGADHN CCCN1CCC(CC(F)(F)F)CC1 ZINC000341980196 169186365 /nfs/dbraw/zinc/18/63/65/169186365.db2.gz CJIAVPOVHFKJOE-UHFFFAOYSA-N 0 3 209.255 3.061 20 0 BGADHN CC(C)OCCN1CCC=C(c2ccccc2)C1 ZINC000341980409 167232068 /nfs/dbraw/zinc/23/20/68/167232068.db2.gz CTEVYLRUFBUSNX-UHFFFAOYSA-N 0 3 245.366 3.201 20 0 BGADHN CC[C@@H](C)[C@H](C)NCc1nc2cc(C)ccc2[nH]1 ZINC000341982107 487846906 /nfs/dbraw/zinc/84/69/06/487846906.db2.gz UDMNXEPMQYDXPR-NEPJUHHUSA-N 0 3 245.370 3.396 20 0 BGADHN CC[C@H](C)[C@@H](C)NCc1nc2cc(C)ccc2[nH]1 ZINC000341982109 171365472 /nfs/dbraw/zinc/36/54/72/171365472.db2.gz UDMNXEPMQYDXPR-NWDGAFQWSA-N 0 3 245.370 3.396 20 0 BGADHN CC[C@H](C)[C@H](C)NCc1nc2cc(C)ccc2[nH]1 ZINC000341982110 171389482 /nfs/dbraw/zinc/38/94/82/171389482.db2.gz UDMNXEPMQYDXPR-RYUDHWBXSA-N 0 3 245.370 3.396 20 0 BGADHN CC[C@@H](C)[C@@H](C)NCc1nc2cc(C)ccc2[nH]1 ZINC000341982111 487846594 /nfs/dbraw/zinc/84/65/94/487846594.db2.gz UDMNXEPMQYDXPR-VXGBXAGGSA-N 0 3 245.370 3.396 20 0 BGADHN CSCCN1CCC(CC(F)(F)F)CC1 ZINC000341988632 385915356 /nfs/dbraw/zinc/91/53/56/385915356.db2.gz JJXLGILRWVWCSJ-UHFFFAOYSA-N 0 3 241.322 3.014 20 0 BGADHN FC(F)(F)CC1CCN(CC2CC2)CC1 ZINC000341991741 385915834 /nfs/dbraw/zinc/91/58/34/385915834.db2.gz OSTDGPWVPVNLKS-UHFFFAOYSA-N 0 3 221.266 3.061 20 0 BGADHN CSCCN1CCC=C(c2ccccc2)C1 ZINC000341993838 387012847 /nfs/dbraw/zinc/01/28/47/387012847.db2.gz PTQGKTBDUVZYNO-UHFFFAOYSA-N 0 3 233.380 3.139 20 0 BGADHN FCCCN1CCC(CC(F)(F)F)CC1 ZINC000342002245 387014336 /nfs/dbraw/zinc/01/43/36/387014336.db2.gz WXHVOJUWOHAFER-UHFFFAOYSA-N 0 3 227.245 3.010 20 0 BGADHN CCOCCCN1CCC=C(c2ccccc2)C1 ZINC000342027114 170371598 /nfs/dbraw/zinc/37/15/98/170371598.db2.gz XROISALUNFEOKL-UHFFFAOYSA-N 0 3 245.366 3.202 20 0 BGADHN Cc1cnc(CNC(C)(C)CC(C)(C)C)cn1 ZINC000342060116 385919046 /nfs/dbraw/zinc/91/90/46/385919046.db2.gz TVHJPAPLXDHBSY-UHFFFAOYSA-N 0 3 235.375 3.089 20 0 BGADHN CC[C@H](c1ccccc1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000342075398 385921272 /nfs/dbraw/zinc/92/12/72/385921272.db2.gz MGSPVNRNMYVBOC-QLFBSQMISA-N 0 3 231.339 3.001 20 0 BGADHN CC[C@@H](c1ccccc1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000342075400 385922108 /nfs/dbraw/zinc/92/21/08/385922108.db2.gz MGSPVNRNMYVBOC-ZNMIVQPWSA-N 0 3 231.339 3.001 20 0 BGADHN CC1(C)CN(CCCCCF)CC(C)(C)O1 ZINC000342126001 385932331 /nfs/dbraw/zinc/93/23/31/385932331.db2.gz KVAOUALRZXREBD-UHFFFAOYSA-N 0 3 231.355 3.016 20 0 BGADHN Cc1ccc2c(c1)CN(CCCCCF)C2 ZINC000342126197 385932640 /nfs/dbraw/zinc/93/26/40/385932640.db2.gz JVMLXFWQOOYGQL-UHFFFAOYSA-N 0 3 221.319 3.450 20 0 BGADHN COc1ccc(CNCC=C(C)C)c(C)c1OC ZINC000342129415 187356136 /nfs/dbraw/zinc/35/61/36/187356136.db2.gz CFJQUJMJWILANX-UHFFFAOYSA-N 0 3 249.354 3.068 20 0 BGADHN Cc1ccncc1CN(C)CCC(C)(C)C ZINC000342130046 385934652 /nfs/dbraw/zinc/93/46/52/385934652.db2.gz NLFNWGICQDBTCT-UHFFFAOYSA-N 0 3 220.360 3.258 20 0 BGADHN C[C@@H]1[C@H](C(F)(F)F)CCN1CCCCCF ZINC000342138333 385936896 /nfs/dbraw/zinc/93/68/96/385936896.db2.gz VPRRSDASDJHUDN-NXEZZACHSA-N 0 3 241.272 3.399 20 0 BGADHN C[C@H]1[C@@H](C(F)(F)F)CCN1CCCCCF ZINC000342138335 385935356 /nfs/dbraw/zinc/93/53/56/385935356.db2.gz VPRRSDASDJHUDN-UWVGGRQHSA-N 0 3 241.272 3.399 20 0 BGADHN C[C@H]1[C@H](C(F)(F)F)CCN1CCCCCF ZINC000342138341 385937650 /nfs/dbraw/zinc/93/76/50/385937650.db2.gz VPRRSDASDJHUDN-VHSXEESVSA-N 0 3 241.272 3.399 20 0 BGADHN C[C@@H]1[C@@H](C(F)(F)F)CCN1CCCCCF ZINC000342138345 385936796 /nfs/dbraw/zinc/93/67/96/385936796.db2.gz VPRRSDASDJHUDN-ZJUUUORDSA-N 0 3 241.272 3.399 20 0 BGADHN CC(C)c1ncc(CN(C)CCC(C)(C)C)cn1 ZINC000342155366 385946671 /nfs/dbraw/zinc/94/66/71/385946671.db2.gz DKWXBZZQDCAPQG-UHFFFAOYSA-N 0 3 249.402 3.468 20 0 BGADHN Cc1nn(C(C)C)cc1CN[C@@H]1CCC1(C)C ZINC000342174262 187356035 /nfs/dbraw/zinc/35/60/35/187356035.db2.gz AFQFOBJBFMZYMO-CYBMUJFWSA-N 0 3 235.375 3.051 20 0 BGADHN Cc1nn(C(C)C)cc1CN[C@H]1CCC1(C)C ZINC000342174263 187356460 /nfs/dbraw/zinc/35/64/60/187356460.db2.gz AFQFOBJBFMZYMO-ZDUSSCGKSA-N 0 3 235.375 3.051 20 0 BGADHN CC/C=C\CCN1Cc2ccccc2C1 ZINC000342187747 365539466 /nfs/dbraw/zinc/53/94/66/365539466.db2.gz KSFVXBYKVSCIIY-ARJAWSKDSA-N 0 3 201.313 3.359 20 0 BGADHN Fc1ccc(F)c(CNCCC2(F)CCC2)c1 ZINC000342188467 385942334 /nfs/dbraw/zinc/94/23/34/385942334.db2.gz GSFWFIDUAVWRLR-UHFFFAOYSA-N 0 3 243.272 3.337 20 0 BGADHN Fc1cc(F)cc(CNCCC2(F)CCC2)c1 ZINC000342193268 385942905 /nfs/dbraw/zinc/94/29/05/385942905.db2.gz CVOATJAYNNMJEC-UHFFFAOYSA-N 0 3 243.272 3.337 20 0 BGADHN COc1ccccc1CNCCC1(F)CCC1 ZINC000342194920 188399506 /nfs/dbraw/zinc/39/95/06/188399506.db2.gz FJIDHWQVBMDDPN-UHFFFAOYSA-N 0 3 237.318 3.067 20 0 BGADHN CC(C)N(Cc1nc2ccc(F)cc2o1)C1CC1 ZINC000342196303 187356123 /nfs/dbraw/zinc/35/61/23/187356123.db2.gz FIQUPCLKJXGEFP-UHFFFAOYSA-N 0 3 248.301 3.340 20 0 BGADHN FC(F)[C@@H]1C[C@H]1NCc1coc2ccccc12 ZINC000342197642 385939053 /nfs/dbraw/zinc/93/90/53/385939053.db2.gz HQQDZMMWNADXKR-GHMZBOCLSA-N 0 3 237.249 3.176 20 0 BGADHN FC(F)[C@@H]1C[C@@H]1NCc1coc2ccccc12 ZINC000342197644 385940532 /nfs/dbraw/zinc/94/05/32/385940532.db2.gz HQQDZMMWNADXKR-MNOVXSKESA-N 0 3 237.249 3.176 20 0 BGADHN FC(F)[C@H]1C[C@@H]1NCc1coc2ccccc12 ZINC000342197647 385940316 /nfs/dbraw/zinc/94/03/16/385940316.db2.gz HQQDZMMWNADXKR-QWRGUYRKSA-N 0 3 237.249 3.176 20 0 BGADHN FC(F)[C@H]1C[C@H]1NCc1coc2ccccc12 ZINC000342197648 385938405 /nfs/dbraw/zinc/93/84/05/385938405.db2.gz HQQDZMMWNADXKR-WDEREUQCSA-N 0 3 237.249 3.176 20 0 BGADHN CC/C=C/CCN(C)Cc1ccccc1OC ZINC000342200263 385957051 /nfs/dbraw/zinc/95/70/51/385957051.db2.gz IRZJEBANDAAQAP-AATRIKPKSA-N 0 3 233.355 3.483 20 0 BGADHN CC/C=C\CCN(C)Cc1ccccc1OC ZINC000342200264 385957311 /nfs/dbraw/zinc/95/73/11/385957311.db2.gz IRZJEBANDAAQAP-WAYWQWQTSA-N 0 3 233.355 3.483 20 0 BGADHN CCc1noc(C)c1CN([C@@H](C)C1CC1)C1CC1 ZINC000342200316 172076371 /nfs/dbraw/zinc/07/63/71/172076371.db2.gz IYFVEDPKBXCORT-JTQLQIEISA-N 0 3 248.370 3.308 20 0 BGADHN CCc1noc(C)c1CN([C@H](C)C1CC1)C1CC1 ZINC000342200318 172075630 /nfs/dbraw/zinc/07/56/30/172075630.db2.gz IYFVEDPKBXCORT-SNVBAGLBSA-N 0 3 248.370 3.308 20 0 BGADHN CC/C=C\CCN(C)Cc1cc(Cl)cn1C ZINC000342200600 365538858 /nfs/dbraw/zinc/53/88/58/365538858.db2.gz AUYKIIMUMBRBHL-WAYWQWQTSA-N 0 3 240.778 3.467 20 0 BGADHN CC/C=C\CCN(C)CCC(F)(F)F ZINC000342201058 385955666 /nfs/dbraw/zinc/95/56/66/385955666.db2.gz LWXPZBCAMIPELJ-PLNGDYQASA-N 0 3 209.255 3.227 20 0 BGADHN CC/C=C/CCN(C)CCC(F)(F)F ZINC000342201059 385957735 /nfs/dbraw/zinc/95/77/35/385957735.db2.gz LWXPZBCAMIPELJ-SNAWJCMRSA-N 0 3 209.255 3.227 20 0 BGADHN CCc1ccc(CNCCC2(F)CCC2)cn1 ZINC000342201921 385956127 /nfs/dbraw/zinc/95/61/27/385956127.db2.gz GRMHVLIDEVWWIS-UHFFFAOYSA-N 0 3 236.334 3.016 20 0 BGADHN Cc1cc2[nH]c(CN[C@H](C)CF)cc2c(C)c1 ZINC000342202764 385956976 /nfs/dbraw/zinc/95/69/76/385956976.db2.gz NCJBMSANSAUFGF-LLVKDONJSA-N 0 3 234.318 3.232 20 0 BGADHN Cc1cc2[nH]c(CN[C@@H](C)CF)cc2c(C)c1 ZINC000342202769 385956156 /nfs/dbraw/zinc/95/61/56/385956156.db2.gz NCJBMSANSAUFGF-NSHDSACASA-N 0 3 234.318 3.232 20 0 BGADHN CC/C=C\CCN(C)Cc1ccc(OC)c(O)c1 ZINC000342202911 385956919 /nfs/dbraw/zinc/95/69/19/385956919.db2.gz LLCSOMOUIHZNDM-WAYWQWQTSA-N 0 3 249.354 3.189 20 0 BGADHN CCc1noc(C)c1CN1CCC[C@@H](C)CC1 ZINC000342206379 172075913 /nfs/dbraw/zinc/07/59/13/172075913.db2.gz RERRZELESKUEHZ-LLVKDONJSA-N 0 3 236.359 3.167 20 0 BGADHN CCc1noc(C)c1CN1CCC[C@H](C)CC1 ZINC000342206380 172077952 /nfs/dbraw/zinc/07/79/52/172077952.db2.gz RERRZELESKUEHZ-NSHDSACASA-N 0 3 236.359 3.167 20 0 BGADHN Cc1ccc2[nH]c(CN[C@@H](C)CF)cc2c1C ZINC000342207885 385957774 /nfs/dbraw/zinc/95/77/74/385957774.db2.gz UPIJFCXTDSDGHZ-JTQLQIEISA-N 0 3 234.318 3.232 20 0 BGADHN Cc1ccc2[nH]c(CN[C@H](C)CF)cc2c1C ZINC000342207886 385957976 /nfs/dbraw/zinc/95/79/76/385957976.db2.gz UPIJFCXTDSDGHZ-SNVBAGLBSA-N 0 3 234.318 3.232 20 0 BGADHN CC/C=C\CCN(C)Cc1ccc2c(c1)OCO2 ZINC000342214079 385960023 /nfs/dbraw/zinc/96/00/23/385960023.db2.gz BILWVYIUQUKRQV-PLNGDYQASA-N 0 3 247.338 3.203 20 0 BGADHN CC/C=C/CCN(C)Cc1ccc2c(c1)OCO2 ZINC000342214080 188399055 /nfs/dbraw/zinc/39/90/55/188399055.db2.gz BILWVYIUQUKRQV-SNAWJCMRSA-N 0 3 247.338 3.203 20 0 BGADHN CC/C=C\CCN(C)Cc1scnc1C ZINC000342214669 385958596 /nfs/dbraw/zinc/95/85/96/385958596.db2.gz HDQWAPHVXGHIJO-WAYWQWQTSA-N 0 3 224.373 3.240 20 0 BGADHN CCCN(CC)Cc1nc2ccc(F)cc2o1 ZINC000342214768 169131972 /nfs/dbraw/zinc/13/19/72/169131972.db2.gz HSEJBAFIORTTCR-UHFFFAOYSA-N 0 3 236.290 3.199 20 0 BGADHN FC(F)[C@@H]1C[C@H]1NCc1ccc2occc2c1 ZINC000342215249 385959839 /nfs/dbraw/zinc/95/98/39/385959839.db2.gz PHOAPMJZWSVHKD-GHMZBOCLSA-N 0 3 237.249 3.176 20 0 BGADHN FC(F)[C@@H]1C[C@@H]1NCc1ccc2occc2c1 ZINC000342215251 385960680 /nfs/dbraw/zinc/96/06/80/385960680.db2.gz PHOAPMJZWSVHKD-MNOVXSKESA-N 0 3 237.249 3.176 20 0 BGADHN FC(F)[C@H]1C[C@@H]1NCc1ccc2occc2c1 ZINC000342215254 385959015 /nfs/dbraw/zinc/95/90/15/385959015.db2.gz PHOAPMJZWSVHKD-QWRGUYRKSA-N 0 3 237.249 3.176 20 0 BGADHN FC(F)[C@H]1C[C@H]1NCc1ccc2occc2c1 ZINC000342215256 385959492 /nfs/dbraw/zinc/95/94/92/385959492.db2.gz PHOAPMJZWSVHKD-WDEREUQCSA-N 0 3 237.249 3.176 20 0 BGADHN CC1(C)CCCN1Cc1nc2ccc(F)cc2o1 ZINC000342217575 352741104 /nfs/dbraw/zinc/74/11/04/352741104.db2.gz HJHQGFMPSLREID-UHFFFAOYSA-N 0 3 248.301 3.341 20 0 BGADHN CC/C=C\CCN1CCOC[C@H]1CC(C)C ZINC000342217771 385960791 /nfs/dbraw/zinc/96/07/91/385960791.db2.gz IEWSUVWUXVAYBG-GEXIGZQTSA-N 0 3 225.376 3.090 20 0 BGADHN CC/C=C/CCN1CCOC[C@@H]1CC(C)C ZINC000342217772 385960140 /nfs/dbraw/zinc/96/01/40/385960140.db2.gz IEWSUVWUXVAYBG-GJBLVYBDSA-N 0 3 225.376 3.090 20 0 BGADHN CC/C=C\CCN1CCOC[C@@H]1CC(C)C ZINC000342217773 385958782 /nfs/dbraw/zinc/95/87/82/385958782.db2.gz IEWSUVWUXVAYBG-GXMNPTEKSA-N 0 3 225.376 3.090 20 0 BGADHN CC/C=C/CCN1CCOC[C@H]1CC(C)C ZINC000342217774 385959755 /nfs/dbraw/zinc/95/97/55/385959755.db2.gz IEWSUVWUXVAYBG-VBROQKIQSA-N 0 3 225.376 3.090 20 0 BGADHN CC/C=C\CCN(C)Cc1ccoc1C ZINC000342218911 365538985 /nfs/dbraw/zinc/53/89/85/365538985.db2.gz JCDPPMHHFQTQNY-WAYWQWQTSA-N 0 3 207.317 3.376 20 0 BGADHN CC[C@@H]1CCCN1Cc1nc2ccc(F)cc2o1 ZINC000342220116 352741075 /nfs/dbraw/zinc/74/10/75/352741075.db2.gz KCBPBHUJYPERMN-LLVKDONJSA-N 0 3 248.301 3.341 20 0 BGADHN CC[C@H]1CCCN1Cc1nc2ccc(F)cc2o1 ZINC000342220118 385963384 /nfs/dbraw/zinc/96/33/84/385963384.db2.gz KCBPBHUJYPERMN-NSHDSACASA-N 0 3 248.301 3.341 20 0 BGADHN FC(F)[C@@H]1C[C@H]1NCc1cc2ccccc2o1 ZINC000342222775 385961860 /nfs/dbraw/zinc/96/18/60/385961860.db2.gz VBHMKXBQOBGKLE-GHMZBOCLSA-N 0 3 237.249 3.176 20 0 BGADHN FC(F)[C@@H]1C[C@@H]1NCc1cc2ccccc2o1 ZINC000342222779 385962501 /nfs/dbraw/zinc/96/25/01/385962501.db2.gz VBHMKXBQOBGKLE-MNOVXSKESA-N 0 3 237.249 3.176 20 0 BGADHN FC(F)[C@H]1C[C@@H]1NCc1cc2ccccc2o1 ZINC000342222783 385962268 /nfs/dbraw/zinc/96/22/68/385962268.db2.gz VBHMKXBQOBGKLE-QWRGUYRKSA-N 0 3 237.249 3.176 20 0 BGADHN FC(F)[C@H]1C[C@H]1NCc1cc2ccccc2o1 ZINC000342222790 385962930 /nfs/dbraw/zinc/96/29/30/385962930.db2.gz VBHMKXBQOBGKLE-WDEREUQCSA-N 0 3 237.249 3.176 20 0 BGADHN CC(C)CN(C)Cc1nc2ccc(F)cc2o1 ZINC000342224166 535023599 /nfs/dbraw/zinc/02/35/99/535023599.db2.gz VDFDLZOUBOAVDG-UHFFFAOYSA-N 0 3 236.290 3.055 20 0 BGADHN CC/C=C\CCN1CCc2ccc(OC)cc2C1 ZINC000342231821 135254936 /nfs/dbraw/zinc/25/49/36/135254936.db2.gz NDEFEDZTOHIYQM-PLNGDYQASA-N 0 3 245.366 3.410 20 0 BGADHN CC/C=C/CCN1CCc2ccc(OC)cc2C1 ZINC000342231822 135254301 /nfs/dbraw/zinc/25/43/01/135254301.db2.gz NDEFEDZTOHIYQM-SNAWJCMRSA-N 0 3 245.366 3.410 20 0 BGADHN CC/C=C\CCN(C)Cc1cnc(C)s1 ZINC000342232262 535245426 /nfs/dbraw/zinc/24/54/26/535245426.db2.gz IWYRBHDIEYPLPH-WAYWQWQTSA-N 0 3 224.373 3.240 20 0 BGADHN Fc1cccc(F)c1CNCCC1(F)CCC1 ZINC000342233283 135254681 /nfs/dbraw/zinc/25/46/81/135254681.db2.gz SDXNGQRQIQIDCT-UHFFFAOYSA-N 0 3 243.272 3.337 20 0 BGADHN CC/C=C\CCN(CCOC)Cc1ccco1 ZINC000342234081 346560383 /nfs/dbraw/zinc/56/03/83/346560383.db2.gz QFJBRUGAVUPURT-PLNGDYQASA-N 0 3 237.343 3.084 20 0 BGADHN CC/C=C\CCN1CCc2sccc2C1 ZINC000342235485 365540535 /nfs/dbraw/zinc/54/05/35/365540535.db2.gz RJLMGCVPQQDARA-ARJAWSKDSA-N 0 3 221.369 3.463 20 0 BGADHN Fc1ccc(CNCCC2(F)CCC2)cc1F ZINC000342236628 135254442 /nfs/dbraw/zinc/25/44/42/135254442.db2.gz WGHXETSFLNRDDT-UHFFFAOYSA-N 0 3 243.272 3.337 20 0 BGADHN CC/C=C\CCN(C)Cc1ccc(C)o1 ZINC000342241956 365540729 /nfs/dbraw/zinc/54/07/29/365540729.db2.gz YCNDRPFSQCLLQV-WAYWQWQTSA-N 0 3 207.317 3.376 20 0 BGADHN CCc1noc(C)c1CN(C)[C@@H](C)C(C)C ZINC000342247559 172076158 /nfs/dbraw/zinc/07/61/58/172076158.db2.gz LIOPIRMRUPAXLM-JTQLQIEISA-N 0 3 224.348 3.022 20 0 BGADHN CCc1noc(C)c1CN(C)[C@H](C)C(C)C ZINC000342247566 172074687 /nfs/dbraw/zinc/07/46/87/172074687.db2.gz LIOPIRMRUPAXLM-SNVBAGLBSA-N 0 3 224.348 3.022 20 0 BGADHN C[C@H](CF)NCc1cccc(-c2ccncc2)c1 ZINC000342251337 385953636 /nfs/dbraw/zinc/95/36/36/385953636.db2.gz HCJPPMJSIBYUAI-GFCCVEGCSA-N 0 3 244.313 3.196 20 0 BGADHN C[C@@H](CF)NCc1cccc(-c2ccncc2)c1 ZINC000342251338 385952817 /nfs/dbraw/zinc/95/28/17/385952817.db2.gz HCJPPMJSIBYUAI-LBPRGKRZSA-N 0 3 244.313 3.196 20 0 BGADHN CC/C=C\CCN(CC)Cc1ccccn1 ZINC000342253574 385953345 /nfs/dbraw/zinc/95/33/45/385953345.db2.gz VJXZEOOPZJPRRZ-WAYWQWQTSA-N 0 3 218.344 3.260 20 0 BGADHN CC/C=C\CCN1CCC[C@@H]1c1cc(C)no1 ZINC000342277264 135260227 /nfs/dbraw/zinc/26/02/27/135260227.db2.gz VKCWARCDUFWHJP-DSYXLKISSA-N 0 3 234.343 3.476 20 0 BGADHN CC/C=C/CCN1CCC[C@H]1c1cc(C)no1 ZINC000342277265 535232011 /nfs/dbraw/zinc/23/20/11/535232011.db2.gz VKCWARCDUFWHJP-IHVVCDCBSA-N 0 3 234.343 3.476 20 0 BGADHN CC/C=C/CCN1CCC[C@@H]1c1cc(C)no1 ZINC000342277266 535231621 /nfs/dbraw/zinc/23/16/21/535231621.db2.gz VKCWARCDUFWHJP-MUBLQREKSA-N 0 3 234.343 3.476 20 0 BGADHN CC/C=C\CCN1CCC[C@H]1c1cc(C)no1 ZINC000342277267 135260662 /nfs/dbraw/zinc/26/06/62/135260662.db2.gz VKCWARCDUFWHJP-ZFDPJTLLSA-N 0 3 234.343 3.476 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CN[C@H]2CC[C@H](F)C2)o1 ZINC000342287944 135256855 /nfs/dbraw/zinc/25/68/55/135256855.db2.gz VNFACOMTIYNYMH-BLFANLJRSA-N 0 3 237.318 3.383 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CN[C@H]2CC[C@@H](F)C2)o1 ZINC000342287946 135256480 /nfs/dbraw/zinc/25/64/80/135256480.db2.gz VNFACOMTIYNYMH-DCQANWLSSA-N 0 3 237.318 3.383 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CN[C@@H]2CC[C@@H](F)C2)o1 ZINC000342287947 135256642 /nfs/dbraw/zinc/25/66/42/135256642.db2.gz VNFACOMTIYNYMH-UZWSLXQKSA-N 0 3 237.318 3.383 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CN[C@@H]2CC[C@H](F)C2)o1 ZINC000342287949 135256660 /nfs/dbraw/zinc/25/66/60/135256660.db2.gz VNFACOMTIYNYMH-XZUYRWCXSA-N 0 3 237.318 3.383 20 0 BGADHN CCOc1ccccc1CN[C@@H]1CC[C@@H](F)C1 ZINC000342291333 535512455 /nfs/dbraw/zinc/51/24/55/535512455.db2.gz YESQDPPIMPSPGW-CHWSQXEVSA-N 0 3 237.318 3.066 20 0 BGADHN CCOc1ccccc1CN[C@H]1CC[C@@H](F)C1 ZINC000342291335 535513000 /nfs/dbraw/zinc/51/30/00/535513000.db2.gz YESQDPPIMPSPGW-OLZOCXBDSA-N 0 3 237.318 3.066 20 0 BGADHN CCOc1ccccc1CN[C@@H]1CC[C@H](F)C1 ZINC000342291337 535512339 /nfs/dbraw/zinc/51/23/39/535512339.db2.gz YESQDPPIMPSPGW-QWHCGFSZSA-N 0 3 237.318 3.066 20 0 BGADHN CCOc1ccccc1CN[C@H]1CC[C@H](F)C1 ZINC000342291339 535512892 /nfs/dbraw/zinc/51/28/92/535512892.db2.gz YESQDPPIMPSPGW-STQMWFEESA-N 0 3 237.318 3.066 20 0 BGADHN F[C@@H]1CC[C@H](NCc2cc3ccccc3o2)C1 ZINC000342295626 135257538 /nfs/dbraw/zinc/25/75/38/135257538.db2.gz INXXOSXFYZJHDH-NEPJUHHUSA-N 0 3 233.286 3.413 20 0 BGADHN F[C@H]1CC[C@@H](NCc2cc3ccccc3o2)C1 ZINC000342295630 135257323 /nfs/dbraw/zinc/25/73/23/135257323.db2.gz INXXOSXFYZJHDH-NWDGAFQWSA-N 0 3 233.286 3.413 20 0 BGADHN F[C@H]1CC[C@H](NCc2cc3ccccc3o2)C1 ZINC000342295633 135257141 /nfs/dbraw/zinc/25/71/41/135257141.db2.gz INXXOSXFYZJHDH-RYUDHWBXSA-N 0 3 233.286 3.413 20 0 BGADHN F[C@@H]1CC[C@@H](NCc2cc3ccccc3o2)C1 ZINC000342295636 135257109 /nfs/dbraw/zinc/25/71/09/135257109.db2.gz INXXOSXFYZJHDH-VXGBXAGGSA-N 0 3 233.286 3.413 20 0 BGADHN CC[C@@H](NCCF)c1ccc(OC(F)F)cc1 ZINC000342296006 135257593 /nfs/dbraw/zinc/25/75/93/135257593.db2.gz PRWBFVHNWNJSTG-LLVKDONJSA-N 0 3 247.260 3.298 20 0 BGADHN CC[C@H](NCCF)c1ccc(OC(F)F)cc1 ZINC000342296008 135257395 /nfs/dbraw/zinc/25/73/95/135257395.db2.gz PRWBFVHNWNJSTG-NSHDSACASA-N 0 3 247.260 3.298 20 0 BGADHN Fc1ccccc1CNC1CC(C(F)(F)F)C1 ZINC000342296919 135257375 /nfs/dbraw/zinc/25/73/75/135257375.db2.gz JWILAVGEAMHDFF-UHFFFAOYSA-N 0 3 247.235 3.256 20 0 BGADHN CC(C)C[C@@H](C)NCc1noc2c1CCCC2 ZINC000342307932 135257767 /nfs/dbraw/zinc/25/77/67/135257767.db2.gz LXLCDTSILPKQCW-LLVKDONJSA-N 0 3 236.359 3.078 20 0 BGADHN CC(C)C[C@H](C)NCc1noc2c1CCCC2 ZINC000342307936 535300147 /nfs/dbraw/zinc/30/01/47/535300147.db2.gz LXLCDTSILPKQCW-NSHDSACASA-N 0 3 236.359 3.078 20 0 BGADHN C[C@H](NCc1noc2c1CCCC2)[C@H]1CC1(C)C ZINC000342313933 136222860 /nfs/dbraw/zinc/22/28/60/136222860.db2.gz UJYCBFWPXMMVEV-CMPLNLGQSA-N 0 3 248.370 3.078 20 0 BGADHN C[C@H](NCc1noc2c1CCCC2)[C@@H]1CC1(C)C ZINC000342313935 136222810 /nfs/dbraw/zinc/22/28/10/136222810.db2.gz UJYCBFWPXMMVEV-JQWIXIFHSA-N 0 3 248.370 3.078 20 0 BGADHN C[C@@H](NCc1noc2c1CCCC2)[C@@H]1CC1(C)C ZINC000342313937 136222736 /nfs/dbraw/zinc/22/27/36/136222736.db2.gz UJYCBFWPXMMVEV-PWSUYJOCSA-N 0 3 248.370 3.078 20 0 BGADHN C[C@@H](NCc1noc2c1CCCC2)[C@H]1CC1(C)C ZINC000342313939 136222789 /nfs/dbraw/zinc/22/27/89/136222789.db2.gz UJYCBFWPXMMVEV-ZYHUDNBSSA-N 0 3 248.370 3.078 20 0 BGADHN CCc1ccc(CNC2CC(C(F)(F)F)C2)o1 ZINC000342314534 136222766 /nfs/dbraw/zinc/22/27/66/136222766.db2.gz XYFZPEBLUFWNJG-UHFFFAOYSA-N 0 3 247.260 3.273 20 0 BGADHN COC[C@H](N[C@@H]1C=CCCC1)c1ccc(F)cc1 ZINC000342315143 536879274 /nfs/dbraw/zinc/87/92/74/536879274.db2.gz KSABLGPNKXUXED-CABCVRRESA-N 0 3 249.329 3.212 20 0 BGADHN COC[C@H](N[C@H]1C=CCCC1)c1ccc(F)cc1 ZINC000342315144 136222710 /nfs/dbraw/zinc/22/27/10/136222710.db2.gz KSABLGPNKXUXED-GJZGRUSLSA-N 0 3 249.329 3.212 20 0 BGADHN COC[C@@H](N[C@@H]1C=CCCC1)c1ccc(F)cc1 ZINC000342315145 136222745 /nfs/dbraw/zinc/22/27/45/136222745.db2.gz KSABLGPNKXUXED-HUUCEWRRSA-N 0 3 249.329 3.212 20 0 BGADHN COC[C@@H](N[C@H]1C=CCCC1)c1ccc(F)cc1 ZINC000342315146 136222730 /nfs/dbraw/zinc/22/27/30/136222730.db2.gz KSABLGPNKXUXED-LSDHHAIUSA-N 0 3 249.329 3.212 20 0 BGADHN C/C(=C\c1ccccc1)CNCC1=CCCOC1 ZINC000342315804 533411089 /nfs/dbraw/zinc/41/10/89/533411089.db2.gz ZYXPAKYVXMYWDY-GXDHUFHOSA-N 0 3 243.350 3.026 20 0 BGADHN C/C(=C/c1ccccc1)CNCC1=CCCOC1 ZINC000342315805 533391444 /nfs/dbraw/zinc/39/14/44/533391444.db2.gz ZYXPAKYVXMYWDY-UVTDQMKNSA-N 0 3 243.350 3.026 20 0 BGADHN C[C@@H]1CCC[C@H](NCc2noc3c2CCCC3)C1 ZINC000342316105 136222847 /nfs/dbraw/zinc/22/28/47/136222847.db2.gz PLHKBUPGBQVQHZ-NEPJUHHUSA-N 0 3 248.370 3.222 20 0 BGADHN C[C@H]1CCC[C@@H](NCc2noc3c2CCCC3)C1 ZINC000342316107 136222845 /nfs/dbraw/zinc/22/28/45/136222845.db2.gz PLHKBUPGBQVQHZ-NWDGAFQWSA-N 0 3 248.370 3.222 20 0 BGADHN C[C@H]1CCC[C@H](NCc2noc3c2CCCC3)C1 ZINC000342316108 136222759 /nfs/dbraw/zinc/22/27/59/136222759.db2.gz PLHKBUPGBQVQHZ-RYUDHWBXSA-N 0 3 248.370 3.222 20 0 BGADHN C[C@@H]1CCC[C@@H](NCc2noc3c2CCCC3)C1 ZINC000342316109 136222791 /nfs/dbraw/zinc/22/27/91/136222791.db2.gz PLHKBUPGBQVQHZ-VXGBXAGGSA-N 0 3 248.370 3.222 20 0 BGADHN COC[C@H](NCCC(C)C)c1ccc(F)cc1 ZINC000342317609 536875939 /nfs/dbraw/zinc/87/59/39/536875939.db2.gz DHESRKPBERFWFW-AWEZNQCLSA-N 0 3 239.334 3.149 20 0 BGADHN COC[C@@H](NCCC(C)C)c1ccc(F)cc1 ZINC000342317610 136222941 /nfs/dbraw/zinc/22/29/41/136222941.db2.gz DHESRKPBERFWFW-CQSZACIVSA-N 0 3 239.334 3.149 20 0 BGADHN CC1CCC(NCc2noc3c2CCCC3)CC1 ZINC000342318730 135264385 /nfs/dbraw/zinc/26/43/85/135264385.db2.gz SLFPREJZKOXGDO-UHFFFAOYSA-N 0 3 248.370 3.222 20 0 BGADHN CC(C)=CCN[C@H](c1cnn(C)c1)C(C)(C)C ZINC000342320768 535371250 /nfs/dbraw/zinc/37/12/50/535371250.db2.gz OMJHTMFQIILWOA-CYBMUJFWSA-N 0 3 235.375 3.063 20 0 BGADHN CC(C)=CCN[C@@H](c1cnn(C)c1)C(C)(C)C ZINC000342320769 535371186 /nfs/dbraw/zinc/37/11/86/535371186.db2.gz OMJHTMFQIILWOA-ZDUSSCGKSA-N 0 3 235.375 3.063 20 0 BGADHN Cn1cc([C@H](N[C@H]2C=CCCC2)C(C)(C)C)cn1 ZINC000342321636 135264514 /nfs/dbraw/zinc/26/45/14/135264514.db2.gz PAIOZPWCIXCKCB-KBPBESRZSA-N 0 3 247.386 3.206 20 0 BGADHN Cn1cc([C@H](N[C@@H]2C=CCCC2)C(C)(C)C)cn1 ZINC000342321638 135264405 /nfs/dbraw/zinc/26/44/05/135264405.db2.gz PAIOZPWCIXCKCB-KGLIPLIRSA-N 0 3 247.386 3.206 20 0 BGADHN Cn1cc([C@@H](N[C@H]2C=CCCC2)C(C)(C)C)cn1 ZINC000342321639 135264009 /nfs/dbraw/zinc/26/40/09/135264009.db2.gz PAIOZPWCIXCKCB-UONOGXRCSA-N 0 3 247.386 3.206 20 0 BGADHN Cn1cc([C@@H](N[C@@H]2C=CCCC2)C(C)(C)C)cn1 ZINC000342321640 135264066 /nfs/dbraw/zinc/26/40/66/135264066.db2.gz PAIOZPWCIXCKCB-ZIAGYGMSSA-N 0 3 247.386 3.206 20 0 BGADHN CCc1cccc(F)c1CN[C@H]1CC[C@@H](F)C1 ZINC000342322995 135264205 /nfs/dbraw/zinc/26/42/05/135264205.db2.gz UJYPJTZWUAXNPD-NEPJUHHUSA-N 0 3 239.309 3.368 20 0 BGADHN CCc1cccc(F)c1CN[C@@H]1CC[C@H](F)C1 ZINC000342322997 135264199 /nfs/dbraw/zinc/26/41/99/135264199.db2.gz UJYPJTZWUAXNPD-NWDGAFQWSA-N 0 3 239.309 3.368 20 0 BGADHN CCc1cccc(F)c1CN[C@H]1CC[C@H](F)C1 ZINC000342322999 135264074 /nfs/dbraw/zinc/26/40/74/135264074.db2.gz UJYPJTZWUAXNPD-RYUDHWBXSA-N 0 3 239.309 3.368 20 0 BGADHN CCc1cccc(F)c1CN[C@@H]1CC[C@@H](F)C1 ZINC000342323001 135263980 /nfs/dbraw/zinc/26/39/80/135263980.db2.gz UJYPJTZWUAXNPD-VXGBXAGGSA-N 0 3 239.309 3.368 20 0 BGADHN CC1(C)CN(Cc2cccnc2)CC(C)(C)C1 ZINC000342339703 135264753 /nfs/dbraw/zinc/26/47/53/135264753.db2.gz OYUHYXOLDIYVBH-UHFFFAOYSA-N 0 3 232.371 3.340 20 0 BGADHN Cc1cnc(CN2CC(C)(C)CC(C)(C)C2)cn1 ZINC000342341858 135265464 /nfs/dbraw/zinc/26/54/64/135265464.db2.gz URNLNMADEPISFI-UHFFFAOYSA-N 0 3 247.386 3.043 20 0 BGADHN C[C@H]1CCN(Cc2nc3ccc(F)cc3o2)[C@H]1C ZINC000342352815 135261291 /nfs/dbraw/zinc/26/12/91/135261291.db2.gz BRVACXLHKBTZQH-UWVGGRQHSA-N 0 3 248.301 3.197 20 0 BGADHN C[C@@H]1CCN(Cc2nc3ccc(F)cc3o2)[C@H]1C ZINC000342352816 135261325 /nfs/dbraw/zinc/26/13/25/135261325.db2.gz BRVACXLHKBTZQH-ZJUUUORDSA-N 0 3 248.301 3.197 20 0 BGADHN C[C@H](c1cnccn1)N1CC(C)(C)CC(C)(C)C1 ZINC000342354869 135261330 /nfs/dbraw/zinc/26/13/30/135261330.db2.gz BBGRPGZIEYMAAQ-GFCCVEGCSA-N 0 3 247.386 3.296 20 0 BGADHN C[C@@H](c1cnccn1)N1CC(C)(C)CC(C)(C)C1 ZINC000342354870 135261488 /nfs/dbraw/zinc/26/14/88/135261488.db2.gz BBGRPGZIEYMAAQ-LBPRGKRZSA-N 0 3 247.386 3.296 20 0 BGADHN CCN(Cc1nc2ccc(F)cc2o1)C1CCC1 ZINC000342356931 135261949 /nfs/dbraw/zinc/26/19/49/135261949.db2.gz MEKPVYKJQQMAMM-UHFFFAOYSA-N 0 3 248.301 3.341 20 0 BGADHN CC1(C)CN(Cc2ccncc2)CC(C)(C)C1 ZINC000342362361 135263285 /nfs/dbraw/zinc/26/32/85/135263285.db2.gz PZPUCEZOKIGFQA-UHFFFAOYSA-N 0 3 232.371 3.340 20 0 BGADHN CC1(C)CN(Cc2ccccn2)CC(C)(C)C1 ZINC000342373149 135268124 /nfs/dbraw/zinc/26/81/24/135268124.db2.gz WIZUGLVNHADVKJ-UHFFFAOYSA-N 0 3 232.371 3.340 20 0 BGADHN C[C@H]1CN(Cc2nc3ccc(F)cc3o2)C[C@H]1C ZINC000342382507 135269362 /nfs/dbraw/zinc/26/93/62/135269362.db2.gz YXGNMODNBIKKHU-AOOOYVTPSA-N 0 3 248.301 3.055 20 0 BGADHN C[C@@H]1CN(Cc2nc3ccc(F)cc3o2)C[C@H]1C ZINC000342382508 135269100 /nfs/dbraw/zinc/26/91/00/135269100.db2.gz YXGNMODNBIKKHU-NXEZZACHSA-N 0 3 248.301 3.055 20 0 BGADHN C[C@H]1CN(Cc2nc3ccc(F)cc3o2)C[C@@H]1C ZINC000342382509 135269232 /nfs/dbraw/zinc/26/92/32/135269232.db2.gz YXGNMODNBIKKHU-UWVGGRQHSA-N 0 3 248.301 3.055 20 0 BGADHN C[C@H](NCC[C@H]1CCCC[C@H]1C)c1cnccn1 ZINC000342401353 135271678 /nfs/dbraw/zinc/27/16/78/135271678.db2.gz NMSBOSNHNLUKIA-HZSPNIEDSA-N 0 3 247.386 3.344 20 0 BGADHN C[C@H](NCC[C@@H]1CCCC[C@@H]1C)c1cnccn1 ZINC000342401354 135271793 /nfs/dbraw/zinc/27/17/93/135271793.db2.gz NMSBOSNHNLUKIA-IHRRRGAJSA-N 0 3 247.386 3.344 20 0 BGADHN C[C@H](NCC[C@H]1CCCC[C@@H]1C)c1cnccn1 ZINC000342401355 135271810 /nfs/dbraw/zinc/27/18/10/135271810.db2.gz NMSBOSNHNLUKIA-MELADBBJSA-N 0 3 247.386 3.344 20 0 BGADHN C[C@H](NCC[C@@H]1CCCC[C@H]1C)c1cnccn1 ZINC000342401356 135271450 /nfs/dbraw/zinc/27/14/50/135271450.db2.gz NMSBOSNHNLUKIA-RDBSUJKOSA-N 0 3 247.386 3.344 20 0 BGADHN C[C@H](N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1cnccn1 ZINC000342403187 135271699 /nfs/dbraw/zinc/27/16/99/135271699.db2.gz RWVMTXOAEYXINL-IGQOVBAYSA-N 0 3 245.370 3.096 20 0 BGADHN C[C@H](N[C@@H]1CC[C@H]2CCC[C@@H]2C1)c1cnccn1 ZINC000342403188 135271812 /nfs/dbraw/zinc/27/18/12/135271812.db2.gz RWVMTXOAEYXINL-REWJHTLYSA-N 0 3 245.370 3.096 20 0 BGADHN C[C@H](N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1cnccn1 ZINC000342403189 135271889 /nfs/dbraw/zinc/27/18/89/135271889.db2.gz RWVMTXOAEYXINL-RFQIPJPRSA-N 0 3 245.370 3.096 20 0 BGADHN C[C@H](N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1cnccn1 ZINC000342403190 135271390 /nfs/dbraw/zinc/27/13/90/135271390.db2.gz RWVMTXOAEYXINL-XDQVBPFNSA-N 0 3 245.370 3.096 20 0 BGADHN CC(C)(C)c1n[nH]cc1CNC1C(C)(C)C1(C)C ZINC000342405698 135271674 /nfs/dbraw/zinc/27/16/74/135271674.db2.gz UPVUVGIFUPBDAZ-UHFFFAOYSA-N 0 3 249.402 3.231 20 0 BGADHN CC(C)n1ccc(CN2CCC[C@H]2C(C)(C)C)n1 ZINC000342494279 135283084 /nfs/dbraw/zinc/28/30/84/135283084.db2.gz IGMCGZOAVCEFMM-AWEZNQCLSA-N 0 3 249.402 3.475 20 0 BGADHN CC(C)n1ccc(CN2CCC[C@@H]2C(C)(C)C)n1 ZINC000342494298 135283292 /nfs/dbraw/zinc/28/32/92/135283292.db2.gz IGMCGZOAVCEFMM-CQSZACIVSA-N 0 3 249.402 3.475 20 0 BGADHN CC(C)C[C@@H]1CCCN1Cc1ccn(C(C)C)n1 ZINC000342516976 535284581 /nfs/dbraw/zinc/28/45/81/535284581.db2.gz MBVUURKLFNAUOX-HNNXBMFYSA-N 0 3 249.402 3.475 20 0 BGADHN CC(C)C[C@H]1CCCN1Cc1ccn(C(C)C)n1 ZINC000342516977 535327125 /nfs/dbraw/zinc/32/71/25/535327125.db2.gz MBVUURKLFNAUOX-OAHLLOKOSA-N 0 3 249.402 3.475 20 0 BGADHN CC(C)[C@@H]1CCCN1Cc1ccn(C(C)C)n1 ZINC000342523172 135279198 /nfs/dbraw/zinc/27/91/98/135279198.db2.gz UPJJVKKADJHFGJ-AWEZNQCLSA-N 0 3 235.375 3.084 20 0 BGADHN CC(C)[C@H]1CCCN1Cc1ccn(C(C)C)n1 ZINC000342523173 535183908 /nfs/dbraw/zinc/18/39/08/535183908.db2.gz UPJJVKKADJHFGJ-CQSZACIVSA-N 0 3 235.375 3.084 20 0 BGADHN CCCCN1CC(c2nc3ccccc3s2)C1 ZINC000342543632 135295296 /nfs/dbraw/zinc/29/52/96/135295296.db2.gz KNAKXOGEOLNUDW-UHFFFAOYSA-N 0 3 246.379 3.496 20 0 BGADHN CCC1CC(NCc2cc(F)ccc2OC)C1 ZINC000342583941 135292607 /nfs/dbraw/zinc/29/26/07/135292607.db2.gz WKOWNDXIEVPMAF-UHFFFAOYSA-N 0 3 237.318 3.113 20 0 BGADHN CCC1CC(N[C@H]2COc3ccc(F)cc32)C1 ZINC000342589083 135293295 /nfs/dbraw/zinc/29/32/95/135293295.db2.gz DXHCFVANFVBOLF-OCTTZUBCSA-N 0 3 235.302 3.037 20 0 BGADHN CCC1CC(N[C@@H]2COc3ccc(F)cc32)C1 ZINC000342589085 135293841 /nfs/dbraw/zinc/29/38/41/135293841.db2.gz DXHCFVANFVBOLF-QEIKUCIBSA-N 0 3 235.302 3.037 20 0 BGADHN CN(C/C=C/c1ccccc1)CC[C@H]1CCCO1 ZINC000342591897 135293475 /nfs/dbraw/zinc/29/34/75/135293475.db2.gz DTJUCLQDPXZOPB-DXWDOBMASA-N 0 3 245.366 3.201 20 0 BGADHN CN(C/C=C\c1ccccc1)CC[C@@H]1CCCO1 ZINC000342591898 135293866 /nfs/dbraw/zinc/29/38/66/135293866.db2.gz DTJUCLQDPXZOPB-GEZBDVBVSA-N 0 3 245.366 3.201 20 0 BGADHN CN(C/C=C\c1ccccc1)CC[C@H]1CCCO1 ZINC000342591899 135293809 /nfs/dbraw/zinc/29/38/09/135293809.db2.gz DTJUCLQDPXZOPB-MEMKZHQFSA-N 0 3 245.366 3.201 20 0 BGADHN CN(C/C=C/c1ccccc1)CC[C@@H]1CCCO1 ZINC000342591900 135293406 /nfs/dbraw/zinc/29/34/06/135293406.db2.gz DTJUCLQDPXZOPB-RDTXFTJFSA-N 0 3 245.366 3.201 20 0 BGADHN CCC1CC(NCc2ccc3c(n2)CCCC3)C1 ZINC000342594323 135300427 /nfs/dbraw/zinc/30/04/27/135300427.db2.gz LBCIUUYKJPFOLH-UHFFFAOYSA-N 0 3 244.382 3.239 20 0 BGADHN CC1(C)CC[C@H]1N[C@H]1CCOc2ccc(F)cc21 ZINC000342595601 135300994 /nfs/dbraw/zinc/30/09/94/135300994.db2.gz LURILTFIHIXMOM-GXTWGEPZSA-N 0 3 249.329 3.428 20 0 BGADHN CC1(C)CC[C@@H]1N[C@H]1CCOc2ccc(F)cc21 ZINC000342595603 135301365 /nfs/dbraw/zinc/30/13/65/135301365.db2.gz LURILTFIHIXMOM-JSGCOSHPSA-N 0 3 249.329 3.428 20 0 BGADHN CC1(C)CC[C@@H]1N[C@@H]1CCOc2ccc(F)cc21 ZINC000342595606 135301250 /nfs/dbraw/zinc/30/12/50/135301250.db2.gz LURILTFIHIXMOM-OCCSQVGLSA-N 0 3 249.329 3.428 20 0 BGADHN CC1(C)CC[C@H]1N[C@@H]1CCOc2ccc(F)cc21 ZINC000342595607 135301032 /nfs/dbraw/zinc/30/10/32/135301032.db2.gz LURILTFIHIXMOM-TZMCWYRMSA-N 0 3 249.329 3.428 20 0 BGADHN CC1(C)CC[C@H]1N[C@@H]1CCOc2c(F)cccc21 ZINC000342595697 135300886 /nfs/dbraw/zinc/30/08/86/135300886.db2.gz MQVHTNJCKZGUFU-CHWSQXEVSA-N 0 3 249.329 3.428 20 0 BGADHN CC1(C)CC[C@@H]1N[C@@H]1CCOc2c(F)cccc21 ZINC000342595701 135301134 /nfs/dbraw/zinc/30/11/34/135301134.db2.gz MQVHTNJCKZGUFU-OLZOCXBDSA-N 0 3 249.329 3.428 20 0 BGADHN CC1(C)CC[C@H]1N[C@H]1CCOc2c(F)cccc21 ZINC000342595704 135301284 /nfs/dbraw/zinc/30/12/84/135301284.db2.gz MQVHTNJCKZGUFU-QWHCGFSZSA-N 0 3 249.329 3.428 20 0 BGADHN CC1(C)CC[C@@H]1N[C@H]1CCOc2c(F)cccc21 ZINC000342595707 135300975 /nfs/dbraw/zinc/30/09/75/135300975.db2.gz MQVHTNJCKZGUFU-STQMWFEESA-N 0 3 249.329 3.428 20 0 BGADHN CCC1CC(N[C@@H](CCOC)c2ccco2)C1 ZINC000342597862 135300737 /nfs/dbraw/zinc/30/07/37/135300737.db2.gz PYEBYBJMKKWTQI-BPCQOVAHSA-N 0 3 237.343 3.135 20 0 BGADHN CCC1CC(N[C@H](CCOC)c2ccco2)C1 ZINC000342597863 135300695 /nfs/dbraw/zinc/30/06/95/135300695.db2.gz PYEBYBJMKKWTQI-WXRRBKDZSA-N 0 3 237.343 3.135 20 0 BGADHN CC1(C)CC[C@@H]1N[C@H]1COc2ccc(F)cc21 ZINC000342602009 135301994 /nfs/dbraw/zinc/30/19/94/135301994.db2.gz VDWYLDJDBCQLKB-AAEUAGOBSA-N 0 3 235.302 3.037 20 0 BGADHN CC1(C)CC[C@H]1N[C@@H]1COc2ccc(F)cc21 ZINC000342602015 135301885 /nfs/dbraw/zinc/30/18/85/135301885.db2.gz VDWYLDJDBCQLKB-DGCLKSJQSA-N 0 3 235.302 3.037 20 0 BGADHN CC1(C)CC[C@H]1N[C@H]1COc2ccc(F)cc21 ZINC000342602024 135302138 /nfs/dbraw/zinc/30/21/38/135302138.db2.gz VDWYLDJDBCQLKB-WCQYABFASA-N 0 3 235.302 3.037 20 0 BGADHN CC1(C)CC[C@@H]1N[C@@H]1COc2ccc(F)cc21 ZINC000342602030 135302250 /nfs/dbraw/zinc/30/22/50/135302250.db2.gz VDWYLDJDBCQLKB-YPMHNXCESA-N 0 3 235.302 3.037 20 0 BGADHN CCC1CC(N[C@H]2CCOc3c(F)cccc32)C1 ZINC000342603253 135301722 /nfs/dbraw/zinc/30/17/22/135301722.db2.gz XBEOLUIJPNNBRI-MGULZYLOSA-N 0 3 249.329 3.428 20 0 BGADHN CCC1CC(N[C@@H]2CCOc3c(F)cccc32)C1 ZINC000342603257 135301734 /nfs/dbraw/zinc/30/17/34/135301734.db2.gz XBEOLUIJPNNBRI-QIMFLAQGSA-N 0 3 249.329 3.428 20 0 BGADHN CC1(C)CC[C@@H]1NCc1ccc2c(n1)CCCC2 ZINC000342603495 135302214 /nfs/dbraw/zinc/30/22/14/135302214.db2.gz XQMWHCSKUOWWPU-HNNXBMFYSA-N 0 3 244.382 3.239 20 0 BGADHN CC1(C)CC[C@H]1NCc1ccc2c(n1)CCCC2 ZINC000342603501 135302107 /nfs/dbraw/zinc/30/21/07/135302107.db2.gz XQMWHCSKUOWWPU-OAHLLOKOSA-N 0 3 244.382 3.239 20 0 BGADHN CCC1CC(N[C@@H]2CCOc3ccc(F)cc32)C1 ZINC000342605013 135302271 /nfs/dbraw/zinc/30/22/71/135302271.db2.gz ZFBIKYFHYPVGQK-MMWSSPAHSA-N 0 3 249.329 3.428 20 0 BGADHN CCC1CC(N[C@H]2CCOc3ccc(F)cc32)C1 ZINC000342605016 135301789 /nfs/dbraw/zinc/30/17/89/135301789.db2.gz ZFBIKYFHYPVGQK-OVGLSYRBSA-N 0 3 249.329 3.428 20 0 BGADHN COc1ccc(F)cc1CN(C(C)C)C1CC1 ZINC000342606251 135302295 /nfs/dbraw/zinc/30/22/95/135302295.db2.gz KHYHTKRKMWHERT-UHFFFAOYSA-N 0 3 237.318 3.207 20 0 BGADHN CCCN(Cc1cn2ccccc2n1)CC(C)C ZINC000342608162 135302843 /nfs/dbraw/zinc/30/28/43/135302843.db2.gz UMMFPQISSGUVGP-UHFFFAOYSA-N 0 3 245.370 3.202 20 0 BGADHN CCC1CC(NCc2ccc(OC(C)C)nc2)C1 ZINC000342617465 135295837 /nfs/dbraw/zinc/29/58/37/135295837.db2.gz RHKCUUSWUNPLGZ-UHFFFAOYSA-N 0 3 248.370 3.147 20 0 BGADHN Cc1cccc(C)c1CN1CCO[C@H]2CCC[C@H]21 ZINC000342619870 135296635 /nfs/dbraw/zinc/29/66/35/135296635.db2.gz VUGZIPUEAKGCHB-CVEARBPZSA-N 0 3 245.366 3.057 20 0 BGADHN Cc1cccc(C)c1CN1CCO[C@H]2CCC[C@@H]21 ZINC000342619871 135296764 /nfs/dbraw/zinc/29/67/64/135296764.db2.gz VUGZIPUEAKGCHB-HOTGVXAUSA-N 0 3 245.366 3.057 20 0 BGADHN Cc1cccc(C)c1CN1CCO[C@@H]2CCC[C@H]21 ZINC000342619872 135296678 /nfs/dbraw/zinc/29/66/78/135296678.db2.gz VUGZIPUEAKGCHB-HZPDHXFCSA-N 0 3 245.366 3.057 20 0 BGADHN Cc1cccc(C)c1CN1CCO[C@@H]2CCC[C@@H]21 ZINC000342619873 135296709 /nfs/dbraw/zinc/29/67/09/135296709.db2.gz VUGZIPUEAKGCHB-JKSUJKDBSA-N 0 3 245.366 3.057 20 0 BGADHN CCC[C@@H](C)CN(C)Cc1ccoc1C ZINC000342620406 135297121 /nfs/dbraw/zinc/29/71/21/135297121.db2.gz XBKSGDYHJKNUQX-LLVKDONJSA-N 0 3 209.333 3.456 20 0 BGADHN CCC[C@H](C)CN(C)Cc1ccoc1C ZINC000342620408 535608050 /nfs/dbraw/zinc/60/80/50/535608050.db2.gz XBKSGDYHJKNUQX-NSHDSACASA-N 0 3 209.333 3.456 20 0 BGADHN Cc1cccc(C)c1CN(C)C[C@@H]1CCCCO1 ZINC000342622367 135296985 /nfs/dbraw/zinc/29/69/85/135296985.db2.gz NNYROMITLWDWJH-HNNXBMFYSA-N 0 3 247.382 3.304 20 0 BGADHN Cc1cccc(C)c1CN(C)C[C@H]1CCCCO1 ZINC000342622369 135296979 /nfs/dbraw/zinc/29/69/79/135296979.db2.gz NNYROMITLWDWJH-OAHLLOKOSA-N 0 3 247.382 3.304 20 0 BGADHN CCOCCN(CC)Cc1c(C)cccc1C ZINC000342627930 535585546 /nfs/dbraw/zinc/58/55/46/535585546.db2.gz YJRVUUIBQYJZLJ-UHFFFAOYSA-N 0 3 235.371 3.162 20 0 BGADHN CCC1CC(N[C@@H]2CCOc3ccccc32)C1 ZINC000342633258 135298829 /nfs/dbraw/zinc/29/88/29/135298829.db2.gz XZAIHNXMSJELNP-ORHYLEIMSA-N 0 3 231.339 3.288 20 0 BGADHN CCC1CC(N[C@H]2CCOc3ccccc32)C1 ZINC000342633259 135298347 /nfs/dbraw/zinc/29/83/47/135298347.db2.gz XZAIHNXMSJELNP-YIZWMMSDSA-N 0 3 231.339 3.288 20 0 BGADHN C[C@@H](c1cnccn1)N1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000342633384 135298952 /nfs/dbraw/zinc/29/89/52/135298952.db2.gz NMEMTJLXBVJRBF-IPYPFGDCSA-N 0 3 245.370 3.050 20 0 BGADHN C[C@H](c1cnccn1)N1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000342633385 135298701 /nfs/dbraw/zinc/29/87/01/135298701.db2.gz NMEMTJLXBVJRBF-NFAWXSAZSA-N 0 3 245.370 3.050 20 0 BGADHN C[C@H](c1cnccn1)N1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000342633386 135298484 /nfs/dbraw/zinc/29/84/84/135298484.db2.gz NMEMTJLXBVJRBF-UMVBOHGHSA-N 0 3 245.370 3.050 20 0 BGADHN C[C@@H](c1cnccn1)N1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000342633387 135298548 /nfs/dbraw/zinc/29/85/48/135298548.db2.gz NMEMTJLXBVJRBF-VNHYZAJKSA-N 0 3 245.370 3.050 20 0 BGADHN CC/C=C\CCN[C@H](CCOC)c1ccco1 ZINC000342636107 135299502 /nfs/dbraw/zinc/29/95/02/135299502.db2.gz LMGUIZBOAQRNSS-DSYXLKISSA-N 0 3 237.343 3.303 20 0 BGADHN CC/C=C\CCN[C@@H](CCOC)c1ccco1 ZINC000342636109 135299387 /nfs/dbraw/zinc/29/93/87/135299387.db2.gz LMGUIZBOAQRNSS-ZFDPJTLLSA-N 0 3 237.343 3.303 20 0 BGADHN CC/C=C\CCN1CCc2c(cccc2OC)C1 ZINC000342644927 135300045 /nfs/dbraw/zinc/30/00/45/135300045.db2.gz BSQHQUNDKOJBAR-PLNGDYQASA-N 0 3 245.366 3.410 20 0 BGADHN CC/C=C/CCN1CCc2c(cccc2OC)C1 ZINC000342644928 135300325 /nfs/dbraw/zinc/30/03/25/135300325.db2.gz BSQHQUNDKOJBAR-SNAWJCMRSA-N 0 3 245.366 3.410 20 0 BGADHN CC/C=C\CCN[C@H](COC)c1ccc(C)o1 ZINC000342658940 136223377 /nfs/dbraw/zinc/22/33/77/136223377.db2.gz LQHHMCUMPCWZNM-CFHLNLSMSA-N 0 3 237.343 3.221 20 0 BGADHN CC/C=C\CCN[C@@H](COC)c1ccc(C)o1 ZINC000342658944 136223447 /nfs/dbraw/zinc/22/34/47/136223447.db2.gz LQHHMCUMPCWZNM-SZZPACECSA-N 0 3 237.343 3.221 20 0 BGADHN CC(C)COc1cccc(CN(C)C2CC2)c1 ZINC000342665494 535238359 /nfs/dbraw/zinc/23/83/59/535238359.db2.gz DANDSEAKNDTDLR-UHFFFAOYSA-N 0 3 233.355 3.316 20 0 BGADHN CCN(C)Cc1cccc(OCC(C)C)c1 ZINC000342672921 135309082 /nfs/dbraw/zinc/30/90/82/135309082.db2.gz FOWJSHQJTGICME-UHFFFAOYSA-N 0 3 221.344 3.173 20 0 BGADHN CCc1noc(CC)c1CNC1CC(CC)C1 ZINC000342684051 135304784 /nfs/dbraw/zinc/30/47/84/135304784.db2.gz AOYOJJYZBNBPPE-UHFFFAOYSA-N 0 3 236.359 3.078 20 0 BGADHN CCCOc1ncccc1CN[C@@H]1CCC1(C)C ZINC000342687186 135305716 /nfs/dbraw/zinc/30/57/16/135305716.db2.gz HOETZLJIKPTJMG-CYBMUJFWSA-N 0 3 248.370 3.149 20 0 BGADHN CCCOc1ncccc1CN[C@H]1CCC1(C)C ZINC000342687187 135305290 /nfs/dbraw/zinc/30/52/90/135305290.db2.gz HOETZLJIKPTJMG-ZDUSSCGKSA-N 0 3 248.370 3.149 20 0 BGADHN CCC1CC(N[C@H](COC)c2ccccc2)C1 ZINC000342688512 135305886 /nfs/dbraw/zinc/30/58/86/135305886.db2.gz LUNXUKDWOCIAHK-PESDSKBTSA-N 0 3 233.355 3.152 20 0 BGADHN CCC1CC(N[C@@H](COC)c2ccccc2)C1 ZINC000342688515 135305772 /nfs/dbraw/zinc/30/57/72/135305772.db2.gz LUNXUKDWOCIAHK-ZALBZXLWSA-N 0 3 233.355 3.152 20 0 BGADHN CCCOc1ncccc1CNC1CC(CC)C1 ZINC000342691781 135305336 /nfs/dbraw/zinc/30/53/36/135305336.db2.gz VNLCEBIISWFIMW-UHFFFAOYSA-N 0 3 248.370 3.149 20 0 BGADHN CCC1CC(NCc2nc3ccc(C)cc3[nH]2)C1 ZINC000342691794 135305327 /nfs/dbraw/zinc/30/53/27/135305327.db2.gz VWZXEDMJPGENQL-UHFFFAOYSA-N 0 3 243.354 3.150 20 0 BGADHN CCC1CC(NCc2nc3cc(C)ccc3[nH]2)C1 ZINC000342691794 135305326 /nfs/dbraw/zinc/30/53/26/135305326.db2.gz VWZXEDMJPGENQL-UHFFFAOYSA-N 0 3 243.354 3.150 20 0 BGADHN CCCOc1ccc(CNC2CC(CC)C2)cn1 ZINC000342691825 135305266 /nfs/dbraw/zinc/30/52/66/135305266.db2.gz WHWBHZBRGGDWDU-UHFFFAOYSA-N 0 3 248.370 3.149 20 0 BGADHN CCc1noc(CC)c1CN[C@@H]1CCC1(C)C ZINC000342692497 135305619 /nfs/dbraw/zinc/30/56/19/135305619.db2.gz ZEQLSBKZXPZYIQ-CYBMUJFWSA-N 0 3 236.359 3.078 20 0 BGADHN CCc1noc(CC)c1CN[C@H]1CCC1(C)C ZINC000342692498 135305871 /nfs/dbraw/zinc/30/58/71/135305871.db2.gz ZEQLSBKZXPZYIQ-ZDUSSCGKSA-N 0 3 236.359 3.078 20 0 BGADHN CCC1CC(N[C@@H](COC)c2ccc(C)o2)C1 ZINC000342693457 135306063 /nfs/dbraw/zinc/30/60/63/135306063.db2.gz BDTPZGGKOQXJLN-BPCQOVAHSA-N 0 3 237.343 3.054 20 0 BGADHN CCC1CC(N[C@H](COC)c2ccc(C)o2)C1 ZINC000342693458 135306632 /nfs/dbraw/zinc/30/66/32/135306632.db2.gz BDTPZGGKOQXJLN-WXRRBKDZSA-N 0 3 237.343 3.054 20 0 BGADHN COc1cc(C)ccc1CN[C@H]1CCC1(C)C ZINC000342695560 536653253 /nfs/dbraw/zinc/65/32/53/536653253.db2.gz AVRWKBNOYPLPBQ-AWEZNQCLSA-N 0 3 233.355 3.282 20 0 BGADHN COc1cc(C)ccc1CN[C@@H]1CCC1(C)C ZINC000342695562 536653898 /nfs/dbraw/zinc/65/38/98/536653898.db2.gz AVRWKBNOYPLPBQ-CQSZACIVSA-N 0 3 233.355 3.282 20 0 BGADHN CCC1CC(NCc2ccn(C3CCCC3)n2)C1 ZINC000342696872 135306491 /nfs/dbraw/zinc/30/64/91/135306491.db2.gz DKPXIMXJMCGKKF-UHFFFAOYSA-N 0 3 247.386 3.276 20 0 BGADHN CCC1CC(NCc2ccc(OC)cc2F)C1 ZINC000342697230 135306226 /nfs/dbraw/zinc/30/62/26/135306226.db2.gz KEFNSDZBFNVFKD-UHFFFAOYSA-N 0 3 237.318 3.113 20 0 BGADHN Clc1ccc2c(c1)[C@H](N1CCCC1)CC2 ZINC000342701429 135307259 /nfs/dbraw/zinc/30/72/59/135307259.db2.gz YQBQJWZEHKWXBX-CYBMUJFWSA-N 0 3 221.731 3.423 20 0 BGADHN Clc1ccc2c(c1)[C@@H](N1CCCC1)CC2 ZINC000342701431 135307307 /nfs/dbraw/zinc/30/73/07/135307307.db2.gz YQBQJWZEHKWXBX-ZDUSSCGKSA-N 0 3 221.731 3.423 20 0 BGADHN CCC[C@@H](C)CN1CCc2ccc(O)cc2C1 ZINC000342702884 135312235 /nfs/dbraw/zinc/31/22/35/135312235.db2.gz IZUZBPOMDOMHAX-GFCCVEGCSA-N 0 3 233.355 3.187 20 0 BGADHN CCC[C@H](C)CN1CCc2ccc(O)cc2C1 ZINC000342702885 535611528 /nfs/dbraw/zinc/61/15/28/535611528.db2.gz IZUZBPOMDOMHAX-LBPRGKRZSA-N 0 3 233.355 3.187 20 0 BGADHN CCCCn1cc(CNC2CC(CC)C2)c(C)n1 ZINC000342710726 135312604 /nfs/dbraw/zinc/31/26/04/135312604.db2.gz PHJJOGVHQAJKCC-UHFFFAOYSA-N 0 3 249.402 3.270 20 0 BGADHN CCCCn1cc(CN[C@H]2CCC2(C)C)c(C)n1 ZINC000342719135 535151755 /nfs/dbraw/zinc/15/17/55/535151755.db2.gz ZVBUDPMFDRDMBC-AWEZNQCLSA-N 0 3 249.402 3.270 20 0 BGADHN CCCCn1cc(CN[C@@H]2CCC2(C)C)c(C)n1 ZINC000342719136 135314265 /nfs/dbraw/zinc/31/42/65/135314265.db2.gz ZVBUDPMFDRDMBC-CQSZACIVSA-N 0 3 249.402 3.270 20 0 BGADHN Cc1cncc(CN2CCCC(C)(C)C2)c1 ZINC000342724483 135314532 /nfs/dbraw/zinc/31/45/32/135314532.db2.gz RBSRTTUSDPBNDY-UHFFFAOYSA-N 0 3 218.344 3.012 20 0 BGADHN CCC[C@@H](C)CN(C)Cc1ccc(C)o1 ZINC000342732392 135316944 /nfs/dbraw/zinc/31/69/44/135316944.db2.gz UXAVWHUOJZOMGM-LLVKDONJSA-N 0 3 209.333 3.456 20 0 BGADHN CCC[C@H](C)CN(C)Cc1ccc(C)o1 ZINC000342732411 535608526 /nfs/dbraw/zinc/60/85/26/535608526.db2.gz UXAVWHUOJZOMGM-NSHDSACASA-N 0 3 209.333 3.456 20 0 BGADHN Cc1ccc(CN2CCCC(C)(C)C2)c(C)n1 ZINC000342740106 135309994 /nfs/dbraw/zinc/30/99/94/135309994.db2.gz YVHPPKDYIYALGY-UHFFFAOYSA-N 0 3 232.371 3.320 20 0 BGADHN Cc1cnc(CN(CC(C)C)C2CCCC2)n1C ZINC000342777664 135327880 /nfs/dbraw/zinc/32/78/80/135327880.db2.gz HXINJAPEEONUBU-UHFFFAOYSA-N 0 3 249.402 3.129 20 0 BGADHN CC[C@@H]1CCCN1Cc1cnc(C(C)(C)C)nc1 ZINC000342778053 535820641 /nfs/dbraw/zinc/82/06/41/535820641.db2.gz JMCODWMIKJLCOU-CYBMUJFWSA-N 0 3 247.386 3.149 20 0 BGADHN CC[C@H]1CCCN1Cc1cnc(C(C)(C)C)nc1 ZINC000342778054 536070807 /nfs/dbraw/zinc/07/08/07/536070807.db2.gz JMCODWMIKJLCOU-ZDUSSCGKSA-N 0 3 247.386 3.149 20 0 BGADHN Cc1cnc(CN2CCCC23CCCCC3)n1C ZINC000342781046 135317207 /nfs/dbraw/zinc/31/72/07/135317207.db2.gz MUMAUTBFULCALY-UHFFFAOYSA-N 0 3 247.386 3.027 20 0 BGADHN C[C@@H]1CCN(Cc2cnc(C(C)(C)C)nc2)[C@H]1C ZINC000342781115 135317193 /nfs/dbraw/zinc/31/71/93/135317193.db2.gz NCVAIYITZGJSOD-NEPJUHHUSA-N 0 3 247.386 3.004 20 0 BGADHN C[C@@H]1[C@@H](C)CCN1Cc1cnc(C(C)(C)C)nc1 ZINC000342781118 135317752 /nfs/dbraw/zinc/31/77/52/135317752.db2.gz NCVAIYITZGJSOD-NWDGAFQWSA-N 0 3 247.386 3.004 20 0 BGADHN C[C@H]1CCN(Cc2cnc(C(C)(C)C)nc2)[C@H]1C ZINC000342781120 135317584 /nfs/dbraw/zinc/31/75/84/135317584.db2.gz NCVAIYITZGJSOD-RYUDHWBXSA-N 0 3 247.386 3.004 20 0 BGADHN C[C@@H]1CCN(Cc2cnc(C(C)(C)C)nc2)[C@@H]1C ZINC000342781122 135317166 /nfs/dbraw/zinc/31/71/66/135317166.db2.gz NCVAIYITZGJSOD-VXGBXAGGSA-N 0 3 247.386 3.004 20 0 BGADHN Cc1cnc(CN(C(C)C)C2CCCCC2)n1C ZINC000342783517 135317491 /nfs/dbraw/zinc/31/74/91/135317491.db2.gz PVLHNBRIXVINPQ-UHFFFAOYSA-N 0 3 249.402 3.272 20 0 BGADHN Cc1cnc(CN2CCCC[C@H]2CC(C)C)n1C ZINC000342783574 135317087 /nfs/dbraw/zinc/31/70/87/135317087.db2.gz QELZUZONYGZJNF-AWEZNQCLSA-N 0 3 249.402 3.129 20 0 BGADHN Cc1cnc(CN2CCCC[C@@H]2CC(C)C)n1C ZINC000342783575 135317458 /nfs/dbraw/zinc/31/74/58/135317458.db2.gz QELZUZONYGZJNF-CQSZACIVSA-N 0 3 249.402 3.129 20 0 BGADHN CCC[C@H](C)[C@H]1CCCN1Cc1ncc(C)n1C ZINC000342785777 535659584 /nfs/dbraw/zinc/65/95/84/535659584.db2.gz SNUNWLHSHWZUIN-GXTWGEPZSA-N 0 3 249.402 3.129 20 0 BGADHN CCC[C@H](C)[C@@H]1CCCN1Cc1ncc(C)n1C ZINC000342785779 135318355 /nfs/dbraw/zinc/31/83/55/135318355.db2.gz SNUNWLHSHWZUIN-JSGCOSHPSA-N 0 3 249.402 3.129 20 0 BGADHN CCC[C@@H](C)[C@@H]1CCCN1Cc1ncc(C)n1C ZINC000342785780 135318098 /nfs/dbraw/zinc/31/80/98/135318098.db2.gz SNUNWLHSHWZUIN-OCCSQVGLSA-N 0 3 249.402 3.129 20 0 BGADHN CCC[C@@H](C)[C@H]1CCCN1Cc1ncc(C)n1C ZINC000342785781 135318808 /nfs/dbraw/zinc/31/88/08/135318808.db2.gz SNUNWLHSHWZUIN-TZMCWYRMSA-N 0 3 249.402 3.129 20 0 BGADHN CC[C@H](C)[C@H]1CCCCN1Cc1ncc(C)n1C ZINC000342789872 135318882 /nfs/dbraw/zinc/31/88/82/135318882.db2.gz YNLUAZIRHOFMDU-GXTWGEPZSA-N 0 3 249.402 3.129 20 0 BGADHN CC[C@H](C)[C@@H]1CCCCN1Cc1ncc(C)n1C ZINC000342789873 535914345 /nfs/dbraw/zinc/91/43/45/535914345.db2.gz YNLUAZIRHOFMDU-JSGCOSHPSA-N 0 3 249.402 3.129 20 0 BGADHN CC[C@@H](C)[C@@H]1CCCCN1Cc1ncc(C)n1C ZINC000342789874 535701644 /nfs/dbraw/zinc/70/16/44/535701644.db2.gz YNLUAZIRHOFMDU-OCCSQVGLSA-N 0 3 249.402 3.129 20 0 BGADHN CC[C@@H](C)[C@H]1CCCCN1Cc1ncc(C)n1C ZINC000342789875 135318384 /nfs/dbraw/zinc/31/83/84/135318384.db2.gz YNLUAZIRHOFMDU-TZMCWYRMSA-N 0 3 249.402 3.129 20 0 BGADHN Cc1cnc(CN2CCC[C@H]2CCC(C)C)n1C ZINC000342790400 135318691 /nfs/dbraw/zinc/31/86/91/135318691.db2.gz ZNQBISLKYNYAMT-AWEZNQCLSA-N 0 3 249.402 3.129 20 0 BGADHN Cc1cnc(CN2CCC[C@@H]2CCC(C)C)n1C ZINC000342790401 135318286 /nfs/dbraw/zinc/31/82/86/135318286.db2.gz ZNQBISLKYNYAMT-CQSZACIVSA-N 0 3 249.402 3.129 20 0 BGADHN C[C@H]1CC[C@H](C)N1Cc1cnc(C(C)(C)C)nc1 ZINC000342791525 135319693 /nfs/dbraw/zinc/31/96/93/135319693.db2.gz OCBLYTVIGNXOKR-RYUDHWBXSA-N 0 3 247.386 3.147 20 0 BGADHN C[C@@H]1CC[C@H](C)N1Cc1cnc(C(C)(C)C)nc1 ZINC000342791527 135319948 /nfs/dbraw/zinc/31/99/48/135319948.db2.gz OCBLYTVIGNXOKR-TXEJJXNPSA-N 0 3 247.386 3.147 20 0 BGADHN C[C@@H]1CC[C@@H](C)N1Cc1cnc(C(C)(C)C)nc1 ZINC000342791529 135320124 /nfs/dbraw/zinc/32/01/24/135320124.db2.gz OCBLYTVIGNXOKR-VXGBXAGGSA-N 0 3 247.386 3.147 20 0 BGADHN CCC[C@@H]1[C@@H](C)CCCN1Cc1ncc(C)n1C ZINC000342792196 535506570 /nfs/dbraw/zinc/50/65/70/535506570.db2.gz PKLHUNUZWXXLNL-GXTWGEPZSA-N 0 3 249.402 3.129 20 0 BGADHN CCC[C@H]1[C@@H](C)CCCN1Cc1ncc(C)n1C ZINC000342792197 135319471 /nfs/dbraw/zinc/31/94/71/135319471.db2.gz PKLHUNUZWXXLNL-JSGCOSHPSA-N 0 3 249.402 3.129 20 0 BGADHN CCC[C@H]1[C@H](C)CCCN1Cc1ncc(C)n1C ZINC000342792198 135319185 /nfs/dbraw/zinc/31/91/85/135319185.db2.gz PKLHUNUZWXXLNL-OCCSQVGLSA-N 0 3 249.402 3.129 20 0 BGADHN CCC[C@@H]1[C@H](C)CCCN1Cc1ncc(C)n1C ZINC000342792199 535510672 /nfs/dbraw/zinc/51/06/72/535510672.db2.gz PKLHUNUZWXXLNL-TZMCWYRMSA-N 0 3 249.402 3.129 20 0 BGADHN CCN(Cc1cn2cc(C)ccc2n1)C1CCC1 ZINC000342795290 135319941 /nfs/dbraw/zinc/31/99/41/135319941.db2.gz FKKMVSUDARQLFL-UHFFFAOYSA-N 0 3 243.354 3.017 20 0 BGADHN CC[C@@H](C)N(C)Cc1cnc(C(C)(C)C)nc1 ZINC000342795579 135319477 /nfs/dbraw/zinc/31/94/77/135319477.db2.gz XDQFNSJNKYYBMS-LLVKDONJSA-N 0 3 235.375 3.004 20 0 BGADHN CC[C@H](C)N(C)Cc1cnc(C(C)(C)C)nc1 ZINC000342795580 135319496 /nfs/dbraw/zinc/31/94/96/135319496.db2.gz XDQFNSJNKYYBMS-NSHDSACASA-N 0 3 235.375 3.004 20 0 BGADHN CCN(Cc1cnc(C(C)(C)C)nc1)C1CCC1 ZINC000342795952 135319446 /nfs/dbraw/zinc/31/94/46/135319446.db2.gz IEEVRIMGEWMEPH-UHFFFAOYSA-N 0 3 247.386 3.149 20 0 BGADHN CCC(C)(C)[C@H]1CCCN1Cc1ncc(C)n1C ZINC000342796929 135321390 /nfs/dbraw/zinc/32/13/90/135321390.db2.gz DBHGXQLEPAOGJP-CYBMUJFWSA-N 0 3 249.402 3.129 20 0 BGADHN CCC(C)(C)[C@@H]1CCCN1Cc1ncc(C)n1C ZINC000342796930 135321347 /nfs/dbraw/zinc/32/13/47/135321347.db2.gz DBHGXQLEPAOGJP-ZDUSSCGKSA-N 0 3 249.402 3.129 20 0 BGADHN CN(Cc1cnc(C(C)(C)C)nc1)CC1CCC1 ZINC000342797236 135321361 /nfs/dbraw/zinc/32/13/61/135321361.db2.gz NZPBMJSRVPHOHX-UHFFFAOYSA-N 0 3 247.386 3.006 20 0 BGADHN Cc1cnc(CN2CCC[C@@H]2CC(C)(C)C)n1C ZINC000342797691 135320638 /nfs/dbraw/zinc/32/06/38/135320638.db2.gz HSLGCYWELYLIOV-CYBMUJFWSA-N 0 3 249.402 3.129 20 0 BGADHN Cc1cnc(CN2CCC[C@H]2CC(C)(C)C)n1C ZINC000342797692 135321193 /nfs/dbraw/zinc/32/11/93/135321193.db2.gz HSLGCYWELYLIOV-ZDUSSCGKSA-N 0 3 249.402 3.129 20 0 BGADHN Cc1cccc(C)c1[C@H](C)NCc1ccn(C)c1 ZINC000342797974 135320943 /nfs/dbraw/zinc/32/09/43/135320943.db2.gz SXJXYQLFYDCWMM-AWEZNQCLSA-N 0 3 242.366 3.493 20 0 BGADHN Cc1cccc(C)c1[C@@H](C)NCc1ccn(C)c1 ZINC000342797975 135321055 /nfs/dbraw/zinc/32/10/55/135321055.db2.gz SXJXYQLFYDCWMM-CQSZACIVSA-N 0 3 242.366 3.493 20 0 BGADHN Cc1ccc2nc(CN(C)CC(C)(C)C)cn2c1 ZINC000342798562 135320706 /nfs/dbraw/zinc/32/07/06/135320706.db2.gz VNYVNMGCUZNSGG-UHFFFAOYSA-N 0 3 245.370 3.121 20 0 BGADHN CCCCC[C@H]1CCCN1Cc1ncc(C)n1C ZINC000342800925 135322270 /nfs/dbraw/zinc/32/22/70/135322270.db2.gz VEXZWXBLSFCYSB-AWEZNQCLSA-N 0 3 249.402 3.273 20 0 BGADHN CCCCC[C@@H]1CCCN1Cc1ncc(C)n1C ZINC000342800926 535123036 /nfs/dbraw/zinc/12/30/36/535123036.db2.gz VEXZWXBLSFCYSB-CQSZACIVSA-N 0 3 249.402 3.273 20 0 BGADHN Cc1n[nH]cc1CN[C@H](C)c1c(C)cccc1C ZINC000342803000 135321841 /nfs/dbraw/zinc/32/18/41/135321841.db2.gz SSDUAPOCDQKHAK-CYBMUJFWSA-N 0 3 243.354 3.186 20 0 BGADHN Cc1n[nH]cc1CN[C@@H](C)c1c(C)cccc1C ZINC000342803001 135321936 /nfs/dbraw/zinc/32/19/36/135321936.db2.gz SSDUAPOCDQKHAK-ZDUSSCGKSA-N 0 3 243.354 3.186 20 0 BGADHN CCC(C)(C)N(C)Cc1cn2cc(C)ccc2n1 ZINC000342808615 352860985 /nfs/dbraw/zinc/86/09/85/352860985.db2.gz ROZMVWWUOPVRTN-UHFFFAOYSA-N 0 3 245.370 3.263 20 0 BGADHN Cc1cc(CN[C@H](C)C2CCCCC2)nc(C)n1 ZINC000342808823 352861373 /nfs/dbraw/zinc/86/13/73/352861373.db2.gz DYLCAGXUTWLAPD-GFCCVEGCSA-N 0 3 247.386 3.152 20 0 BGADHN Cc1cc(CN[C@@H](C)C2CCCCC2)nc(C)n1 ZINC000342808824 352861438 /nfs/dbraw/zinc/86/14/38/352861438.db2.gz DYLCAGXUTWLAPD-LBPRGKRZSA-N 0 3 247.386 3.152 20 0 BGADHN Cc1cc(CN[C@@H]2CC[C@H](C)C[C@H]2C)nc(C)n1 ZINC000342811665 352861888 /nfs/dbraw/zinc/86/18/88/352861888.db2.gz VOANYQRGRFPIEW-FIXISWKDSA-N 0 3 247.386 3.008 20 0 BGADHN Cc1cc(CN[C@@H]2CC[C@@H](C)C[C@@H]2C)nc(C)n1 ZINC000342811666 352862373 /nfs/dbraw/zinc/86/23/73/352862373.db2.gz VOANYQRGRFPIEW-JRPNMDOOSA-N 0 3 247.386 3.008 20 0 BGADHN Cc1cc(CN[C@@H]2CC[C@@H](C)C[C@H]2C)nc(C)n1 ZINC000342811667 352862325 /nfs/dbraw/zinc/86/23/25/352862325.db2.gz VOANYQRGRFPIEW-UEKVPHQBSA-N 0 3 247.386 3.008 20 0 BGADHN Cc1cc(CN[C@@H]2CC[C@H](C)C[C@@H]2C)nc(C)n1 ZINC000342811668 352861933 /nfs/dbraw/zinc/86/19/33/352861933.db2.gz VOANYQRGRFPIEW-ZIBATOQPSA-N 0 3 247.386 3.008 20 0 BGADHN CCN(Cc1ccn(C(F)F)n1)C1CCCC1 ZINC000342836599 352886670 /nfs/dbraw/zinc/88/66/70/352886670.db2.gz KGSKCPWVOUJXRV-UHFFFAOYSA-N 0 3 243.301 3.043 20 0 BGADHN CCc1ncc(CN(CC)C2CCCC2)s1 ZINC000342841882 352871155 /nfs/dbraw/zinc/87/11/55/352871155.db2.gz UPVXCHMGXAQXAZ-UHFFFAOYSA-N 0 3 238.400 3.470 20 0 BGADHN CCc1cnc(CN(CC)C2CCCC2)s1 ZINC000342843224 536032726 /nfs/dbraw/zinc/03/27/26/536032726.db2.gz VGGHDPQSFHKAKR-UHFFFAOYSA-N 0 3 238.400 3.470 20 0 BGADHN CC(C)c1ncc(CN2CC[C@@H]2C(C)C)s1 ZINC000342847147 133601807 /nfs/dbraw/zinc/60/18/07/133601807.db2.gz BAICUAUYJVCWDU-GFCCVEGCSA-N 0 3 238.400 3.497 20 0 BGADHN CC(C)c1ncc(CN2CC[C@H]2C(C)C)s1 ZINC000342847148 352873481 /nfs/dbraw/zinc/87/34/81/352873481.db2.gz BAICUAUYJVCWDU-LBPRGKRZSA-N 0 3 238.400 3.497 20 0 BGADHN CC(C)[C@H]1CCN1Cc1ccc(F)cc1 ZINC000342847373 352873526 /nfs/dbraw/zinc/87/35/26/352873526.db2.gz BFUCRFSVHIQIIK-CYBMUJFWSA-N 0 3 207.292 3.056 20 0 BGADHN CC(C)[C@@H]1CCN1Cc1ccc(F)cc1 ZINC000342847374 352873100 /nfs/dbraw/zinc/87/31/00/352873100.db2.gz BFUCRFSVHIQIIK-ZDUSSCGKSA-N 0 3 207.292 3.056 20 0 BGADHN CCOc1ccccc1CN1CC[C@H]1C(C)C ZINC000342847433 352873446 /nfs/dbraw/zinc/87/34/46/352873446.db2.gz BSIBZGHRWDNOTH-AWEZNQCLSA-N 0 3 233.355 3.316 20 0 BGADHN CCOc1ccccc1CN1CC[C@@H]1C(C)C ZINC000342847434 352873601 /nfs/dbraw/zinc/87/36/01/352873601.db2.gz BSIBZGHRWDNOTH-CQSZACIVSA-N 0 3 233.355 3.316 20 0 BGADHN CCCn1nc(C)c(CN2CC[C@H]2C(C)C)c1C ZINC000342847478 352873564 /nfs/dbraw/zinc/87/35/64/352873564.db2.gz CFJGFQXQJJHEAA-HNNXBMFYSA-N 0 3 249.402 3.140 20 0 BGADHN CCCn1nc(C)c(CN2CC[C@@H]2C(C)C)c1C ZINC000342847479 352873461 /nfs/dbraw/zinc/87/34/61/352873461.db2.gz CFJGFQXQJJHEAA-OAHLLOKOSA-N 0 3 249.402 3.140 20 0 BGADHN CCOc1cccc(CN2CC[C@H]2C(C)C)c1 ZINC000342847548 352873545 /nfs/dbraw/zinc/87/35/45/352873545.db2.gz DCKBKDSJYIBOOA-HNNXBMFYSA-N 0 3 233.355 3.316 20 0 BGADHN CCOc1cccc(CN2CC[C@@H]2C(C)C)c1 ZINC000342847549 352873371 /nfs/dbraw/zinc/87/33/71/352873371.db2.gz DCKBKDSJYIBOOA-OAHLLOKOSA-N 0 3 233.355 3.316 20 0 BGADHN CC(C)[C@H]1CCN1Cc1cccc(F)c1 ZINC000342856971 352877805 /nfs/dbraw/zinc/87/78/05/352877805.db2.gz WLONENVWLUJRPO-CYBMUJFWSA-N 0 3 207.292 3.056 20 0 BGADHN CC(C)[C@@H]1CCN1Cc1cccc(F)c1 ZINC000342856972 352877193 /nfs/dbraw/zinc/87/71/93/352877193.db2.gz WLONENVWLUJRPO-ZDUSSCGKSA-N 0 3 207.292 3.056 20 0 BGADHN COc1ccc(CN2CC[C@@H]2C(C)C)cc1F ZINC000342858987 352878440 /nfs/dbraw/zinc/87/84/40/352878440.db2.gz DMLSVOKMAWMCNB-CYBMUJFWSA-N 0 3 237.318 3.065 20 0 BGADHN COc1ccc(CN2CC[C@H]2C(C)C)cc1F ZINC000342858988 352878781 /nfs/dbraw/zinc/87/87/81/352878781.db2.gz DMLSVOKMAWMCNB-ZDUSSCGKSA-N 0 3 237.318 3.065 20 0 BGADHN CCc1ccc(CN2CC[C@@H]2C(C)C)o1 ZINC000342859023 352878818 /nfs/dbraw/zinc/87/88/18/352878818.db2.gz DRFQLMGHXDUFRU-CYBMUJFWSA-N 0 3 207.317 3.072 20 0 BGADHN CCc1ccc(CN2CC[C@H]2C(C)C)o1 ZINC000342859033 352878377 /nfs/dbraw/zinc/87/83/77/352878377.db2.gz DRFQLMGHXDUFRU-ZDUSSCGKSA-N 0 3 207.317 3.072 20 0 BGADHN COc1ccc(C)cc1CN1CC[C@H]1C(C)C ZINC000342859527 352878823 /nfs/dbraw/zinc/87/88/23/352878823.db2.gz GJMDYAVOIFEDBC-AWEZNQCLSA-N 0 3 233.355 3.234 20 0 BGADHN COc1ccc(C)cc1CN1CC[C@@H]1C(C)C ZINC000342859528 352878481 /nfs/dbraw/zinc/87/84/81/352878481.db2.gz GJMDYAVOIFEDBC-CQSZACIVSA-N 0 3 233.355 3.234 20 0 BGADHN CCC1(C)CCN(Cc2ccnc(OC)c2)CC1 ZINC000342859630 352878698 /nfs/dbraw/zinc/87/86/98/352878698.db2.gz JYDGIUBREUWAOM-UHFFFAOYSA-N 0 3 248.370 3.102 20 0 BGADHN CC[C@@H]1CCCN(Cc2ccnc(OC)c2)CC1 ZINC000342859992 352878643 /nfs/dbraw/zinc/87/86/43/352878643.db2.gz MXHUEOOZPHTXAI-CYBMUJFWSA-N 0 3 248.370 3.102 20 0 BGADHN CC[C@H]1CCCN(Cc2ccnc(OC)c2)CC1 ZINC000342859993 352879707 /nfs/dbraw/zinc/87/97/07/352879707.db2.gz MXHUEOOZPHTXAI-ZDUSSCGKSA-N 0 3 248.370 3.102 20 0 BGADHN COc1cc(CN2CCCC(C)(C)CC2)ccn1 ZINC000342860801 133603343 /nfs/dbraw/zinc/60/33/43/133603343.db2.gz RCRJJJHNECXEHD-UHFFFAOYSA-N 0 3 248.370 3.102 20 0 BGADHN COc1ccc(CN2CC[C@H]2C(C)C)cc1C ZINC000342860938 352879743 /nfs/dbraw/zinc/87/97/43/352879743.db2.gz KPBCVVBNYYRCQC-AWEZNQCLSA-N 0 3 233.355 3.234 20 0 BGADHN COc1ccc(CN2CC[C@@H]2C(C)C)cc1C ZINC000342860939 352879788 /nfs/dbraw/zinc/87/97/88/352879788.db2.gz KPBCVVBNYYRCQC-CQSZACIVSA-N 0 3 233.355 3.234 20 0 BGADHN COc1cc(CN2CCCC[C@H]2C(C)C)ccn1 ZINC000342861330 352879305 /nfs/dbraw/zinc/87/93/05/352879305.db2.gz WZZVAEJFGDSRPZ-AWEZNQCLSA-N 0 3 248.370 3.101 20 0 BGADHN COc1cc(CN2CCCC[C@@H]2C(C)C)ccn1 ZINC000342861331 352879822 /nfs/dbraw/zinc/87/98/22/352879822.db2.gz WZZVAEJFGDSRPZ-CQSZACIVSA-N 0 3 248.370 3.101 20 0 BGADHN COc1cc(CN2CCC[C@@H]2C(C)(C)C)ccn1 ZINC000342863360 352880725 /nfs/dbraw/zinc/88/07/25/352880725.db2.gz IGFFXSPOFKGSSM-CYBMUJFWSA-N 0 3 248.370 3.101 20 0 BGADHN COc1cc(CN2CCC[C@H]2C(C)(C)C)ccn1 ZINC000342863661 352880591 /nfs/dbraw/zinc/88/05/91/352880591.db2.gz IGFFXSPOFKGSSM-ZDUSSCGKSA-N 0 3 248.370 3.101 20 0 BGADHN CCC[C@@H]1CCCN(Cc2ccnc(OC)c2)C1 ZINC000342863733 352881495 /nfs/dbraw/zinc/88/14/95/352881495.db2.gz JHNYYGZBCBYFNV-CYBMUJFWSA-N 0 3 248.370 3.102 20 0 BGADHN CCC[C@H]1CCCN(Cc2ccnc(OC)c2)C1 ZINC000342863734 352881959 /nfs/dbraw/zinc/88/19/59/352881959.db2.gz JHNYYGZBCBYFNV-ZDUSSCGKSA-N 0 3 248.370 3.102 20 0 BGADHN CCOc1ccc(CN2CC[C@H]2C(C)C)cc1 ZINC000342863961 352882056 /nfs/dbraw/zinc/88/20/56/352882056.db2.gz YNRQDZQTGZUGDJ-HNNXBMFYSA-N 0 3 233.355 3.316 20 0 BGADHN CCOc1ccc(CN2CC[C@@H]2C(C)C)cc1 ZINC000342863962 352881488 /nfs/dbraw/zinc/88/14/88/352881488.db2.gz YNRQDZQTGZUGDJ-OAHLLOKOSA-N 0 3 233.355 3.316 20 0 BGADHN CC(C)[C@H]1CCN1Cc1ccccc1F ZINC000342863970 352881617 /nfs/dbraw/zinc/88/16/17/352881617.db2.gz YQUZWFOAKXRYNP-CYBMUJFWSA-N 0 3 207.292 3.056 20 0 BGADHN CC(C)[C@@H]1CCN1Cc1ccccc1F ZINC000342863971 352881949 /nfs/dbraw/zinc/88/19/49/352881949.db2.gz YQUZWFOAKXRYNP-ZDUSSCGKSA-N 0 3 207.292 3.056 20 0 BGADHN COc1cc(CN(C)CC2CCCCC2)ccn1 ZINC000342865440 352882712 /nfs/dbraw/zinc/88/27/12/352882712.db2.gz VJDVZBLTCOHSCC-UHFFFAOYSA-N 0 3 248.370 3.102 20 0 BGADHN CC[C@@]1(C)CCCN(Cc2ccnc(OC)c2)C1 ZINC000342865467 352882512 /nfs/dbraw/zinc/88/25/12/352882512.db2.gz VTYFXEBLPPYQMI-HNNXBMFYSA-N 0 3 248.370 3.102 20 0 BGADHN CC[C@]1(C)CCCN(Cc2ccnc(OC)c2)C1 ZINC000342865468 352882885 /nfs/dbraw/zinc/88/28/85/352882885.db2.gz VTYFXEBLPPYQMI-OAHLLOKOSA-N 0 3 248.370 3.102 20 0 BGADHN CCC1(CC)CCN(Cc2ccnc(OC)c2)C1 ZINC000342866311 352882783 /nfs/dbraw/zinc/88/27/83/352882783.db2.gz ZFGPXNVKSYQMLR-UHFFFAOYSA-N 0 3 248.370 3.102 20 0 BGADHN Cc1ccccc1CN1CCOCC12CCCC2 ZINC000342872039 352884999 /nfs/dbraw/zinc/88/49/99/352884999.db2.gz BVFQYWVWLJGUFA-UHFFFAOYSA-N 0 3 245.366 3.140 20 0 BGADHN Cc1cccc(CN2CCOCC23CCCC3)c1 ZINC000342877083 352885959 /nfs/dbraw/zinc/88/59/59/352885959.db2.gz VNWOGOPRJPQCHJ-UHFFFAOYSA-N 0 3 245.366 3.140 20 0 BGADHN Cc1cccc(C)c1CN(C)Cc1ccc[nH]1 ZINC000342930834 135336536 /nfs/dbraw/zinc/33/65/36/135336536.db2.gz UUUPHAVFAIKWAT-UHFFFAOYSA-N 0 3 228.339 3.264 20 0 BGADHN Cc1cccc(C)c1CN1CCSC[C@H]1C ZINC000342938217 135336334 /nfs/dbraw/zinc/33/63/34/135336334.db2.gz KLNHDSDEEHQJSU-CYBMUJFWSA-N 0 3 235.396 3.241 20 0 BGADHN Cc1cccc(C)c1CN1CCSC[C@@H]1C ZINC000342938218 135336968 /nfs/dbraw/zinc/33/69/68/135336968.db2.gz KLNHDSDEEHQJSU-ZDUSSCGKSA-N 0 3 235.396 3.241 20 0 BGADHN Cc1cccc(C)c1CN1CCOCC12CCC2 ZINC000342938859 135336684 /nfs/dbraw/zinc/33/66/84/135336684.db2.gz NXWIUFSVJIEYRW-UHFFFAOYSA-N 0 3 245.366 3.058 20 0 BGADHN CSCCN(C)Cc1c(C)cccc1C ZINC000342940626 135337475 /nfs/dbraw/zinc/33/74/75/135337475.db2.gz UBZJPUCSPNIWAI-UHFFFAOYSA-N 0 3 223.385 3.098 20 0 BGADHN CCN(Cc1cn(C)nc1C(C)(C)C)C1CCC1 ZINC000342942195 135338000 /nfs/dbraw/zinc/33/80/00/135338000.db2.gz YJNZIVFEOOZMJT-UHFFFAOYSA-N 0 3 249.402 3.092 20 0 BGADHN CCC[C@@H](C)CN(C)Cc1cccc(C)n1 ZINC000342943357 135338149 /nfs/dbraw/zinc/33/81/49/135338149.db2.gz QDFSMDRYSVRJQF-GFCCVEGCSA-N 0 3 220.360 3.258 20 0 BGADHN CCC[C@H](C)CN(C)Cc1cccc(C)n1 ZINC000342943358 535608557 /nfs/dbraw/zinc/60/85/57/535608557.db2.gz QDFSMDRYSVRJQF-LBPRGKRZSA-N 0 3 220.360 3.258 20 0 BGADHN Cc1cccc(CN(C)CC2CCCC2)n1 ZINC000342945338 135337317 /nfs/dbraw/zinc/33/73/17/135337317.db2.gz XOQVCZRFMUWSOL-UHFFFAOYSA-N 0 3 218.344 3.012 20 0 BGADHN COc1ccc(F)cc1CN1CCCC1(C)C ZINC000343012030 135344307 /nfs/dbraw/zinc/34/43/07/135344307.db2.gz WKSCKUYPBGMSAY-UHFFFAOYSA-N 0 3 237.318 3.209 20 0 BGADHN COc1ccc2oc(CN[C@H]3CC3(C)C)cc2c1 ZINC000343064852 135355599 /nfs/dbraw/zinc/35/55/99/135355599.db2.gz NWAOTGMDRJFKHP-AWEZNQCLSA-N 0 3 245.322 3.330 20 0 BGADHN COc1ccc2oc(CN[C@@H]3CC3(C)C)cc2c1 ZINC000343064853 135355742 /nfs/dbraw/zinc/35/57/42/135355742.db2.gz NWAOTGMDRJFKHP-CQSZACIVSA-N 0 3 245.322 3.330 20 0 BGADHN Cc1ccoc1CNCCOc1ccc(C)cc1 ZINC000343072639 135355938 /nfs/dbraw/zinc/35/59/38/135355938.db2.gz QOCHYTCESZAYBD-UHFFFAOYSA-N 0 3 245.322 3.065 20 0 BGADHN Cc1ccc(C)c([C@H](C)NCC2=CCCOC2)c1 ZINC000343078909 365565552 /nfs/dbraw/zinc/56/55/52/365565552.db2.gz NHJMJMZQBJDWNK-AWEZNQCLSA-N 0 3 245.366 3.301 20 0 BGADHN Cc1ccc(C)c([C@@H](C)NCC2=CCCOC2)c1 ZINC000343078910 388499262 /nfs/dbraw/zinc/49/92/62/388499262.db2.gz NHJMJMZQBJDWNK-CQSZACIVSA-N 0 3 245.366 3.301 20 0 BGADHN CN(Cc1ccoc1)CC1CCCCC1 ZINC000343104464 135363027 /nfs/dbraw/zinc/36/30/27/135363027.db2.gz SFNPWKMUZQBIGW-UHFFFAOYSA-N 0 3 207.317 3.292 20 0 BGADHN CC(C)C[C@H]1CCCN1Cc1cscn1 ZINC000343116849 535326925 /nfs/dbraw/zinc/32/69/25/535326925.db2.gz JAXXWYJLYKDFLF-GFCCVEGCSA-N 0 3 224.373 3.154 20 0 BGADHN CC(C)C[C@@H]1CCCN1Cc1cscn1 ZINC000343116850 135357557 /nfs/dbraw/zinc/35/75/57/135357557.db2.gz JAXXWYJLYKDFLF-LBPRGKRZSA-N 0 3 224.373 3.154 20 0 BGADHN Cc1ccoc1CNCC1(c2ccccc2)CC1 ZINC000343162584 135363751 /nfs/dbraw/zinc/36/37/51/135363751.db2.gz QWPFONXKQHSBPF-UHFFFAOYSA-N 0 3 241.334 3.409 20 0 BGADHN COc1ccc2oc(CNC3CCC3)cc2c1 ZINC000343188472 386202491 /nfs/dbraw/zinc/20/24/91/386202491.db2.gz RKTDEWQHPKRQAT-UHFFFAOYSA-N 0 3 231.295 3.084 20 0 BGADHN CC1CCC(CN[C@@H]2CCCc3c[nH]nc32)CC1 ZINC000343276801 353306197 /nfs/dbraw/zinc/30/61/97/353306197.db2.gz ZLVWSUALNMXZQF-ORHYLEIMSA-N 0 3 247.386 3.203 20 0 BGADHN CC1CCC(CN[C@H]2CCCc3c[nH]nc32)CC1 ZINC000343276802 353306047 /nfs/dbraw/zinc/30/60/47/353306047.db2.gz ZLVWSUALNMXZQF-YIZWMMSDSA-N 0 3 247.386 3.203 20 0 BGADHN Cc1ccoc1CNCCOc1ccccc1C ZINC000343416224 353880115 /nfs/dbraw/zinc/88/01/15/353880115.db2.gz YMKUDGXWLWVTQW-UHFFFAOYSA-N 0 3 245.322 3.065 20 0 BGADHN COc1ccc(CN2CC[C@H](C)C2)cc1Cl ZINC000343431218 353883980 /nfs/dbraw/zinc/88/39/80/353883980.db2.gz KRTMBNYBJYGEMA-JTQLQIEISA-N 0 3 239.746 3.190 20 0 BGADHN COc1ccc(CN2CC[C@@H](C)C2)cc1Cl ZINC000343431219 353883969 /nfs/dbraw/zinc/88/39/69/353883969.db2.gz KRTMBNYBJYGEMA-SNVBAGLBSA-N 0 3 239.746 3.190 20 0 BGADHN COc1cc2c(cc1F)CC[C@@H]2N[C@@H]1CC1(C)C ZINC000343489727 353907900 /nfs/dbraw/zinc/90/79/00/353907900.db2.gz NGXSJRUFMHHCTJ-GXTWGEPZSA-N 0 3 249.329 3.210 20 0 BGADHN COc1cc2c(cc1F)CC[C@@H]2N[C@H]1CC1(C)C ZINC000343489728 353907884 /nfs/dbraw/zinc/90/78/84/353907884.db2.gz NGXSJRUFMHHCTJ-JSGCOSHPSA-N 0 3 249.329 3.210 20 0 BGADHN COc1cc2c(cc1F)CC[C@H]2N[C@H]1CC1(C)C ZINC000343489729 133688259 /nfs/dbraw/zinc/68/82/59/133688259.db2.gz NGXSJRUFMHHCTJ-OCCSQVGLSA-N 0 3 249.329 3.210 20 0 BGADHN COc1cc2c(cc1F)CC[C@H]2N[C@@H]1CC1(C)C ZINC000343489730 353908982 /nfs/dbraw/zinc/90/89/82/353908982.db2.gz NGXSJRUFMHHCTJ-TZMCWYRMSA-N 0 3 249.329 3.210 20 0 BGADHN CCC[C@@H](C)N(C)Cc1cn(C(C)C)nc1C ZINC000343502936 353915256 /nfs/dbraw/zinc/91/52/56/353915256.db2.gz BOXUHXWHLASUJV-GFCCVEGCSA-N 0 3 237.391 3.393 20 0 BGADHN CCC[C@H](C)N(C)Cc1cn(C(C)C)nc1C ZINC000343502943 353915536 /nfs/dbraw/zinc/91/55/36/353915536.db2.gz BOXUHXWHLASUJV-LBPRGKRZSA-N 0 3 237.391 3.393 20 0 BGADHN CCCCN(C)Cc1cn(C(C)C)nc1C ZINC000343504152 353921157 /nfs/dbraw/zinc/92/11/57/353921157.db2.gz DDORAWGXSHCVJI-UHFFFAOYSA-N 0 3 223.364 3.004 20 0 BGADHN CC[C@@H](NCc1cn2c(n1)CCCC2)C(C)(C)C ZINC000343504469 353920728 /nfs/dbraw/zinc/92/07/28/353920728.db2.gz GLUUFECPTXMZHK-CYBMUJFWSA-N 0 3 249.402 3.134 20 0 BGADHN CC[C@H](NCc1cn2c(n1)CCCC2)C(C)(C)C ZINC000343504470 353921273 /nfs/dbraw/zinc/92/12/73/353921273.db2.gz GLUUFECPTXMZHK-ZDUSSCGKSA-N 0 3 249.402 3.134 20 0 BGADHN Cc1nn(C(C)C)cc1CN(C)[C@H](C)C(C)C ZINC000343505531 353921830 /nfs/dbraw/zinc/92/18/30/353921830.db2.gz FJQKBBLBQOHAQF-CYBMUJFWSA-N 0 3 237.391 3.249 20 0 BGADHN Cc1nn(C(C)C)cc1CN(C)[C@@H](C)C(C)C ZINC000343505532 353921553 /nfs/dbraw/zinc/92/15/53/353921553.db2.gz FJQKBBLBQOHAQF-ZDUSSCGKSA-N 0 3 237.391 3.249 20 0 BGADHN CCN(Cc1cn(C(C)C)nc1C)C(C)C ZINC000343506071 353921569 /nfs/dbraw/zinc/92/15/69/353921569.db2.gz GAJZCEOUMMTDIX-UHFFFAOYSA-N 0 3 223.364 3.003 20 0 BGADHN CCCCN(CC)Cc1cn(C(C)C)nc1C ZINC000343507500 353922101 /nfs/dbraw/zinc/92/21/01/353922101.db2.gz HOQOIIYVQZCVCR-UHFFFAOYSA-N 0 3 237.391 3.394 20 0 BGADHN Cc1nn(C(C)C)cc1CN(CC(C)C)C1CC1 ZINC000343509216 353923209 /nfs/dbraw/zinc/92/32/09/353923209.db2.gz JSAVOSJWQSZQQI-UHFFFAOYSA-N 0 3 249.402 3.393 20 0 BGADHN Cc1nn(C(C)C)cc1CN(C)CC(C)(C)C ZINC000343512687 353924445 /nfs/dbraw/zinc/92/44/45/353924445.db2.gz NBEHKDCCUJRDJE-UHFFFAOYSA-N 0 3 237.391 3.250 20 0 BGADHN Cc1nn(C(C)C)cc1CN1CCC[C@@H](C)CC1 ZINC000343518245 136230847 /nfs/dbraw/zinc/23/08/47/136230847.db2.gz STQRPRNBRHTZSS-CYBMUJFWSA-N 0 3 249.402 3.394 20 0 BGADHN Cc1nn(C(C)C)cc1CN1CCC[C@H](C)CC1 ZINC000343518247 136230717 /nfs/dbraw/zinc/23/07/17/136230717.db2.gz STQRPRNBRHTZSS-ZDUSSCGKSA-N 0 3 249.402 3.394 20 0 BGADHN CCN(Cc1cn(C(C)C)nc1C)C1CCC1 ZINC000343521605 136231048 /nfs/dbraw/zinc/23/10/48/136231048.db2.gz DUGDNSOVEICEJD-UHFFFAOYSA-N 0 3 235.375 3.147 20 0 BGADHN CCC1CCN(Cc2cn(C(C)C)nc2C)CC1 ZINC000343526736 353928339 /nfs/dbraw/zinc/92/83/39/353928339.db2.gz YXVSPNQOLIHQCY-UHFFFAOYSA-N 0 3 249.402 3.394 20 0 BGADHN Cc1nn(C(C)C)cc1CN1C[C@H](C)C[C@H](C)C1 ZINC000343526804 353928436 /nfs/dbraw/zinc/92/84/36/353928436.db2.gz ZDQJOVTUBGGAHC-BETUJISGSA-N 0 3 249.402 3.250 20 0 BGADHN Cc1nn(C(C)C)cc1CN1C[C@H](C)C[C@@H](C)C1 ZINC000343526806 353928367 /nfs/dbraw/zinc/92/83/67/353928367.db2.gz ZDQJOVTUBGGAHC-CHWSQXEVSA-N 0 3 249.402 3.250 20 0 BGADHN Cc1nn(C(C)C)cc1CN1C[C@@H](C)C[C@H](C)C1 ZINC000343526807 353928478 /nfs/dbraw/zinc/92/84/78/353928478.db2.gz ZDQJOVTUBGGAHC-STQMWFEESA-N 0 3 249.402 3.250 20 0 BGADHN CCCN(CCC)Cc1cn(C(C)C)nc1C ZINC000343526843 169149273 /nfs/dbraw/zinc/14/92/73/169149273.db2.gz ZHHOYBJOCCVBQT-UHFFFAOYSA-N 0 3 237.391 3.394 20 0 BGADHN Cc1nn(C(C)C)cc1CN(C)CC1CCC1 ZINC000343528824 353928797 /nfs/dbraw/zinc/92/87/97/353928797.db2.gz BUVKPIXGQBVVJB-UHFFFAOYSA-N 0 3 235.375 3.004 20 0 BGADHN CCC(C)(C)N(C)Cc1cn(C(C)C)nc1C ZINC000343529006 353929027 /nfs/dbraw/zinc/92/90/27/353929027.db2.gz CXRWWVZLUHUGDP-UHFFFAOYSA-N 0 3 237.391 3.393 20 0 BGADHN CC[C@@H](C)CN(C)Cc1cn(C(C)C)nc1C ZINC000343530940 353929394 /nfs/dbraw/zinc/92/93/94/353929394.db2.gz FJHOHEOXWZMLKH-GFCCVEGCSA-N 0 3 237.391 3.250 20 0 BGADHN CC[C@H](C)CN(C)Cc1cn(C(C)C)nc1C ZINC000343530942 353929741 /nfs/dbraw/zinc/92/97/41/353929741.db2.gz FJHOHEOXWZMLKH-LBPRGKRZSA-N 0 3 237.391 3.250 20 0 BGADHN CC[C@@H](C)N(C)Cc1cn(C(C)C)nc1C ZINC000343531015 353929848 /nfs/dbraw/zinc/92/98/48/353929848.db2.gz CBXKOBCWHOLNFX-LLVKDONJSA-N 0 3 223.364 3.003 20 0 BGADHN CC[C@H](C)N(C)Cc1cn(C(C)C)nc1C ZINC000343531016 353929510 /nfs/dbraw/zinc/92/95/10/353929510.db2.gz CBXKOBCWHOLNFX-NSHDSACASA-N 0 3 223.364 3.003 20 0 BGADHN Cc1nn(C(C)C)cc1CN1CC[C@H](C(C)C)C1 ZINC000343531531 353929781 /nfs/dbraw/zinc/92/97/81/353929781.db2.gz KOJSHXLNPVFONZ-AWEZNQCLSA-N 0 3 249.402 3.250 20 0 BGADHN Cc1nn(C(C)C)cc1CN1CC[C@@H](C(C)C)C1 ZINC000343531535 353929465 /nfs/dbraw/zinc/92/94/65/353929465.db2.gz KOJSHXLNPVFONZ-CQSZACIVSA-N 0 3 249.402 3.250 20 0 BGADHN CC[C@@H]1CCN(Cc2cn(C(C)C)nc2C)C1 ZINC000343534624 353930483 /nfs/dbraw/zinc/93/04/83/353930483.db2.gz NFEZOXKOPYOMCK-CYBMUJFWSA-N 0 3 235.375 3.004 20 0 BGADHN CC[C@H]1CCN(Cc2cn(C(C)C)nc2C)C1 ZINC000343534625 353930134 /nfs/dbraw/zinc/93/01/34/353930134.db2.gz NFEZOXKOPYOMCK-ZDUSSCGKSA-N 0 3 235.375 3.004 20 0 BGADHN COc1ccc(CN(C)CC2CCCCC2)cn1 ZINC000343538622 353917520 /nfs/dbraw/zinc/91/75/20/353917520.db2.gz FKXQWRWFHWKDTR-UHFFFAOYSA-N 0 3 248.370 3.102 20 0 BGADHN CCCN(CC)Cc1cn(C(C)C)nc1C ZINC000343540815 353917359 /nfs/dbraw/zinc/91/73/59/353917359.db2.gz WGGDMTKILBKFMA-UHFFFAOYSA-N 0 3 223.364 3.004 20 0 BGADHN Cc1nn(C(C)C)cc1CN1CC[C@@H](C)[C@H](C)C1 ZINC000343545317 353918810 /nfs/dbraw/zinc/91/88/10/353918810.db2.gz YMYJEFVNHYWNBN-CHWSQXEVSA-N 0 3 249.402 3.250 20 0 BGADHN Cc1nn(C(C)C)cc1CN1CC[C@@H](C)[C@@H](C)C1 ZINC000343545324 353918572 /nfs/dbraw/zinc/91/85/72/353918572.db2.gz YMYJEFVNHYWNBN-OLZOCXBDSA-N 0 3 249.402 3.250 20 0 BGADHN Cc1nn(C(C)C)cc1CN1CC[C@H](C)[C@H](C)C1 ZINC000343545328 353918407 /nfs/dbraw/zinc/91/84/07/353918407.db2.gz YMYJEFVNHYWNBN-QWHCGFSZSA-N 0 3 249.402 3.250 20 0 BGADHN Cc1nn(C(C)C)cc1CN1CC[C@H](C)[C@@H](C)C1 ZINC000343545331 353918730 /nfs/dbraw/zinc/91/87/30/353918730.db2.gz YMYJEFVNHYWNBN-STQMWFEESA-N 0 3 249.402 3.250 20 0 BGADHN Cc1nn(C(C)C)cc1CN1CC[C@H]1C(C)C ZINC000343545460 133691155 /nfs/dbraw/zinc/69/11/55/133691155.db2.gz YQEIGGAMUZNCSM-AWEZNQCLSA-N 0 3 235.375 3.003 20 0 BGADHN Cc1nn(C(C)C)cc1CN1CC[C@@H]1C(C)C ZINC000343545461 353918778 /nfs/dbraw/zinc/91/87/78/353918778.db2.gz YQEIGGAMUZNCSM-CQSZACIVSA-N 0 3 235.375 3.003 20 0 BGADHN CC[C@@]1(C)CCN(Cc2cn(C(C)C)nc2C)C1 ZINC000343547394 353918385 /nfs/dbraw/zinc/91/83/85/353918385.db2.gz JEPMOGVJJCBARH-HNNXBMFYSA-N 0 3 249.402 3.394 20 0 BGADHN CC[C@]1(C)CCN(Cc2cn(C(C)C)nc2C)C1 ZINC000343547398 353918634 /nfs/dbraw/zinc/91/86/34/353918634.db2.gz JEPMOGVJJCBARH-OAHLLOKOSA-N 0 3 249.402 3.394 20 0 BGADHN CCN(Cc1cn(C(C)C)nc1C)CC1CC1 ZINC000343549194 353919189 /nfs/dbraw/zinc/91/91/89/353919189.db2.gz LJBQHXNTZUOVKC-UHFFFAOYSA-N 0 3 235.375 3.004 20 0 BGADHN Cc1nn(C(C)C)cc1CN(C)[C@H](C)C1CC1 ZINC000343549871 353919154 /nfs/dbraw/zinc/91/91/54/353919154.db2.gz MEEHFOKFIDPVMT-GFCCVEGCSA-N 0 3 235.375 3.003 20 0 BGADHN Cc1nn(C(C)C)cc1CN(C)[C@@H](C)C1CC1 ZINC000343549873 353919419 /nfs/dbraw/zinc/91/94/19/353919419.db2.gz MEEHFOKFIDPVMT-LBPRGKRZSA-N 0 3 235.375 3.003 20 0 BGADHN CCCN(Cc1cn(C(C)C)nc1C)C1CC1 ZINC000343553004 353919978 /nfs/dbraw/zinc/91/99/78/353919978.db2.gz PDCTWVXBZNJMKA-UHFFFAOYSA-N 0 3 235.375 3.147 20 0 BGADHN CC[C@H]1CCCN(Cc2cn(C(C)C)nc2C)C1 ZINC000343556527 353920738 /nfs/dbraw/zinc/92/07/38/353920738.db2.gz UCVNBSLHDUNGTC-AWEZNQCLSA-N 0 3 249.402 3.394 20 0 BGADHN CC[C@@H]1CCCN(Cc2cn(C(C)C)nc2C)C1 ZINC000343556528 353921219 /nfs/dbraw/zinc/92/12/19/353921219.db2.gz UCVNBSLHDUNGTC-CQSZACIVSA-N 0 3 249.402 3.394 20 0 BGADHN CCN(CCC1CC1)Cc1cn(C(C)C)nc1C ZINC000343556879 353920879 /nfs/dbraw/zinc/92/08/79/353920879.db2.gz MCICDGFGMZEXLE-UHFFFAOYSA-N 0 3 249.402 3.394 20 0 BGADHN Cc1nn(C(C)C)cc1CN1CCC[C@H](C)[C@H]1C ZINC000343557395 353921050 /nfs/dbraw/zinc/92/10/50/353921050.db2.gz VOXBEYHJIVQKDZ-GXTWGEPZSA-N 0 3 249.402 3.393 20 0 BGADHN Cc1nn(C(C)C)cc1CN1CCC[C@H](C)[C@@H]1C ZINC000343557397 353920714 /nfs/dbraw/zinc/92/07/14/353920714.db2.gz VOXBEYHJIVQKDZ-JSGCOSHPSA-N 0 3 249.402 3.393 20 0 BGADHN Cc1nn(C(C)C)cc1CN1CCC[C@@H](C)[C@@H]1C ZINC000343557398 133692225 /nfs/dbraw/zinc/69/22/25/133692225.db2.gz VOXBEYHJIVQKDZ-OCCSQVGLSA-N 0 3 249.402 3.393 20 0 BGADHN Cc1nn(C(C)C)cc1CN1CCC[C@@H](C)[C@H]1C ZINC000343557399 353921088 /nfs/dbraw/zinc/92/10/88/353921088.db2.gz VOXBEYHJIVQKDZ-TZMCWYRMSA-N 0 3 249.402 3.393 20 0 BGADHN CCN(Cc1cn(C(C)C)nc1C)CC(C)C ZINC000343558573 353934446 /nfs/dbraw/zinc/93/44/46/353934446.db2.gz WSLDVDWIAZVSDR-UHFFFAOYSA-N 0 3 237.391 3.250 20 0 BGADHN CC[C@H]1CCCN1Cc1cn(C(C)C)nc1C ZINC000343559649 353934190 /nfs/dbraw/zinc/93/41/90/353934190.db2.gz YBJRSPLZZYMWLE-AWEZNQCLSA-N 0 3 235.375 3.147 20 0 BGADHN CC[C@@H]1CCCN1Cc1cn(C(C)C)nc1C ZINC000343559650 353934396 /nfs/dbraw/zinc/93/43/96/353934396.db2.gz YBJRSPLZZYMWLE-CQSZACIVSA-N 0 3 235.375 3.147 20 0 BGADHN Cc1nn(C(C)C)cc1CN1C[C@H](C)CC[C@H]1C ZINC000343559710 353934468 /nfs/dbraw/zinc/93/44/68/353934468.db2.gz YJGHVNVVHAUSIA-CHWSQXEVSA-N 0 3 249.402 3.393 20 0 BGADHN Cc1nn(C(C)C)cc1CN1C[C@H](C)CC[C@@H]1C ZINC000343559711 353934434 /nfs/dbraw/zinc/93/44/34/353934434.db2.gz YJGHVNVVHAUSIA-OLZOCXBDSA-N 0 3 249.402 3.393 20 0 BGADHN Cc1nn(C(C)C)cc1CN1C[C@@H](C)CC[C@H]1C ZINC000343559712 353934489 /nfs/dbraw/zinc/93/44/89/353934489.db2.gz YJGHVNVVHAUSIA-QWHCGFSZSA-N 0 3 249.402 3.393 20 0 BGADHN Cc1nn(C(C)C)cc1CN1C[C@@H](C)CC[C@@H]1C ZINC000343559713 353934246 /nfs/dbraw/zinc/93/42/46/353934246.db2.gz YJGHVNVVHAUSIA-STQMWFEESA-N 0 3 249.402 3.393 20 0 BGADHN Cc1nn(C(C)C)cc1CN(C(C)C)C1CC1 ZINC000343572252 353937329 /nfs/dbraw/zinc/93/73/29/353937329.db2.gz MCYSQNOTVBOMTK-UHFFFAOYSA-N 0 3 235.375 3.145 20 0 BGADHN CC/C=C\CCN[C@H](COC)c1ccccc1 ZINC000343583074 365609412 /nfs/dbraw/zinc/60/94/12/365609412.db2.gz ADOSHAAJISJTBO-FOSCPCJNSA-N 0 3 233.355 3.320 20 0 BGADHN CC/C=C\CCN[C@@H](COC)c1ccccc1 ZINC000343583075 365609374 /nfs/dbraw/zinc/60/93/74/365609374.db2.gz ADOSHAAJISJTBO-XVWMLYKFSA-N 0 3 233.355 3.320 20 0 BGADHN Cc1nn(C(C)C)cc1CN1CCC(C)(C)CC1 ZINC000343584083 353939842 /nfs/dbraw/zinc/93/98/42/353939842.db2.gz AYPJZHXZUNMQNV-UHFFFAOYSA-N 0 3 249.402 3.394 20 0 BGADHN Cc1nn(C(C)C)cc1CN(C)CC1CCCC1 ZINC000343584204 353939814 /nfs/dbraw/zinc/93/98/14/353939814.db2.gz BJVQZPUMCLZTAI-UHFFFAOYSA-N 0 3 249.402 3.394 20 0 BGADHN CC/C=C\CCN(Cc1ccccn1)C1CC1 ZINC000343584245 353939698 /nfs/dbraw/zinc/93/96/98/353939698.db2.gz BMGJJLOWDOCADJ-ARJAWSKDSA-N 0 3 230.355 3.402 20 0 BGADHN Cc1nn(C(C)C)cc1CN(C)CCC1CC1 ZINC000343587267 353940481 /nfs/dbraw/zinc/94/04/81/353940481.db2.gz DOKZDEXTEDUNQI-UHFFFAOYSA-N 0 3 235.375 3.004 20 0 BGADHN CC[C@@H](NCc1nccn1C(C)C)C(C)(C)C ZINC000343587455 353940313 /nfs/dbraw/zinc/94/03/13/353940313.db2.gz GVHNRJNRDIWPJS-GFCCVEGCSA-N 0 3 237.391 3.378 20 0 BGADHN CC[C@H](NCc1nccn1C(C)C)C(C)(C)C ZINC000343587456 353940341 /nfs/dbraw/zinc/94/03/41/353940341.db2.gz GVHNRJNRDIWPJS-LBPRGKRZSA-N 0 3 237.391 3.378 20 0 BGADHN C[C@@H]1CC[C@@H](C)N1CCc1cccc(F)c1F ZINC000343589715 353941665 /nfs/dbraw/zinc/94/16/65/353941665.db2.gz XCROYIGXDYTRFS-GHMZBOCLSA-N 0 3 239.309 3.380 20 0 BGADHN C[C@@H]1CC[C@H](C)N1CCc1cccc(F)c1F ZINC000343589716 353941452 /nfs/dbraw/zinc/94/14/52/353941452.db2.gz XCROYIGXDYTRFS-PHIMTYICSA-N 0 3 239.309 3.380 20 0 BGADHN C[C@H]1CC[C@H](C)N1CCc1cccc(F)c1F ZINC000343589717 353942127 /nfs/dbraw/zinc/94/21/27/353942127.db2.gz XCROYIGXDYTRFS-QWRGUYRKSA-N 0 3 239.309 3.380 20 0 BGADHN Cc1nn(C(C)C)cc1CN(C)C1CCCC1 ZINC000343590686 353941748 /nfs/dbraw/zinc/94/17/48/353941748.db2.gz GZAMMGFEBCFQLT-UHFFFAOYSA-N 0 3 235.375 3.147 20 0 BGADHN Cc1nn(C(C)C)cc1CN(C)[C@H]1CC[C@@H](C)C1 ZINC000343592799 353942510 /nfs/dbraw/zinc/94/25/10/353942510.db2.gz DXQKEPXTBMJSKO-DOMZBBRYSA-N 0 3 249.402 3.393 20 0 BGADHN Cc1nn(C(C)C)cc1CN(C)[C@@H]1CC[C@@H](C)C1 ZINC000343592800 353942488 /nfs/dbraw/zinc/94/24/88/353942488.db2.gz DXQKEPXTBMJSKO-IUODEOHRSA-N 0 3 249.402 3.393 20 0 BGADHN Cc1nn(C(C)C)cc1CN(C)[C@@H]1CC[C@H](C)C1 ZINC000343592802 353942605 /nfs/dbraw/zinc/94/26/05/353942605.db2.gz DXQKEPXTBMJSKO-SWLSCSKDSA-N 0 3 249.402 3.393 20 0 BGADHN Cc1nn(C(C)C)cc1CN(C)[C@H]1CC[C@H](C)C1 ZINC000343592803 353942613 /nfs/dbraw/zinc/94/26/13/353942613.db2.gz DXQKEPXTBMJSKO-WFASDCNBSA-N 0 3 249.402 3.393 20 0 BGADHN CCN(Cc1cn(C(C)C)nc1C)CC1CCC1 ZINC000343596791 353943291 /nfs/dbraw/zinc/94/32/91/353943291.db2.gz DEMMRZAAXBKHHI-UHFFFAOYSA-N 0 3 249.402 3.394 20 0 BGADHN Cc1nn(C(C)C)cc1CN1CCCC[C@@H](C)C1 ZINC000343603904 353931581 /nfs/dbraw/zinc/93/15/81/353931581.db2.gz DUOMRZAYTSIGHH-CYBMUJFWSA-N 0 3 249.402 3.394 20 0 BGADHN Cc1nn(C(C)C)cc1CN1CCCC[C@H](C)C1 ZINC000343603907 353931750 /nfs/dbraw/zinc/93/17/50/353931750.db2.gz DUOMRZAYTSIGHH-ZDUSSCGKSA-N 0 3 249.402 3.394 20 0 BGADHN Cc1nn(C(C)C)cc1CN(C)[C@H](C)C1(C)CC1 ZINC000343609461 353932730 /nfs/dbraw/zinc/93/27/30/353932730.db2.gz PDIPCUSHZBYTKO-CYBMUJFWSA-N 0 3 249.402 3.393 20 0 BGADHN Cc1nn(C(C)C)cc1CN(C)[C@@H](C)C1(C)CC1 ZINC000343609464 353932778 /nfs/dbraw/zinc/93/27/78/353932778.db2.gz PDIPCUSHZBYTKO-ZDUSSCGKSA-N 0 3 249.402 3.393 20 0 BGADHN Cc1nn(C(C)C)cc1CN1CC(C)=C[C@@H](C)C1 ZINC000343626185 353947338 /nfs/dbraw/zinc/94/73/38/353947338.db2.gz SHRKQKDDGMKLTR-GFCCVEGCSA-N 0 3 247.386 3.170 20 0 BGADHN Cc1nn(C(C)C)cc1CN1CC(C)=C[C@H](C)C1 ZINC000343626187 353947532 /nfs/dbraw/zinc/94/75/32/353947532.db2.gz SHRKQKDDGMKLTR-LBPRGKRZSA-N 0 3 247.386 3.170 20 0 BGADHN Cc1nn(C(C)C)cc1CN1CCCC(C)(C)C1 ZINC000343629167 353947659 /nfs/dbraw/zinc/94/76/59/353947659.db2.gz XIPCQNACBIKSND-UHFFFAOYSA-N 0 3 249.402 3.394 20 0 BGADHN CCCN(CC)[C@H](C)C(=O)Nc1cccc(C)c1 ZINC000343640158 353950914 /nfs/dbraw/zinc/95/09/14/353950914.db2.gz ACMMJGCRMWDHBF-CYBMUJFWSA-N 0 3 248.370 3.054 20 0 BGADHN CCCN(CC)[C@@H](C)C(=O)Nc1cccc(C)c1 ZINC000343640160 353950933 /nfs/dbraw/zinc/95/09/33/353950933.db2.gz ACMMJGCRMWDHBF-ZDUSSCGKSA-N 0 3 248.370 3.054 20 0 BGADHN CC1(C)C[C@H]1NCc1cc2cc(F)ccc2o1 ZINC000343646652 353952441 /nfs/dbraw/zinc/95/24/41/353952441.db2.gz VKGXFVOYCKWUPA-CYBMUJFWSA-N 0 3 233.286 3.460 20 0 BGADHN CC1(C)C[C@@H]1NCc1cc2cc(F)ccc2o1 ZINC000343646654 353952875 /nfs/dbraw/zinc/95/28/75/353952875.db2.gz VKGXFVOYCKWUPA-ZDUSSCGKSA-N 0 3 233.286 3.460 20 0 BGADHN CC1(C)C[C@H]1NCc1cc(F)cc2cccnc21 ZINC000343648800 353953558 /nfs/dbraw/zinc/95/35/58/353953558.db2.gz YEDXLBDQZOCLNQ-CYBMUJFWSA-N 0 3 244.313 3.262 20 0 BGADHN CC1(C)C[C@@H]1NCc1cc(F)cc2cccnc21 ZINC000343648802 353953396 /nfs/dbraw/zinc/95/33/96/353953396.db2.gz YEDXLBDQZOCLNQ-ZDUSSCGKSA-N 0 3 244.313 3.262 20 0 BGADHN CSCCCN(C)Cc1ccc(C)c(F)c1 ZINC000343660610 353943756 /nfs/dbraw/zinc/94/37/56/353943756.db2.gz POPPWWOOTJRZED-UHFFFAOYSA-N 0 3 241.375 3.319 20 0 BGADHN CSCCCN(C)Cc1ccc(Cl)o1 ZINC000343665967 353944824 /nfs/dbraw/zinc/94/48/24/353944824.db2.gz XKLKMDXPDWMUIN-UHFFFAOYSA-N 0 3 233.764 3.118 20 0 BGADHN CSCCCN(C)Cc1ccc(F)c(C)c1 ZINC000343667630 353944583 /nfs/dbraw/zinc/94/45/83/353944583.db2.gz ZXNBRJUKBAMSNE-UHFFFAOYSA-N 0 3 241.375 3.319 20 0 BGADHN CC1(CN2CCC[C@@H](C(F)(F)F)C2)CCC1 ZINC000343668369 353945081 /nfs/dbraw/zinc/94/50/81/353945081.db2.gz BLOGPJLTVVGRNC-SNVBAGLBSA-N 0 3 235.293 3.451 20 0 BGADHN CSCCCN(C)C/C=C\c1ccccc1 ZINC000343669202 353945058 /nfs/dbraw/zinc/94/50/58/353945058.db2.gz CJYAVBAIWOVYOE-POHAHGRESA-N 0 3 235.396 3.385 20 0 BGADHN CSCCCN(C)C/C=C/c1ccccc1 ZINC000343669206 353945390 /nfs/dbraw/zinc/94/53/90/353945390.db2.gz CJYAVBAIWOVYOE-UXBLZVDNSA-N 0 3 235.396 3.385 20 0 BGADHN CSCCCN(C)Cc1cc(C)ccc1F ZINC000343676795 353961424 /nfs/dbraw/zinc/96/14/24/353961424.db2.gz LDWXCEPCHFLBAZ-UHFFFAOYSA-N 0 3 241.375 3.319 20 0 BGADHN COc1ccc2c(c1F)CC[C@@H]2N[C@H]1CC1(C)C ZINC000343677437 353961719 /nfs/dbraw/zinc/96/17/19/353961719.db2.gz UTUHWCFYXFMUJX-AAEUAGOBSA-N 0 3 249.329 3.210 20 0 BGADHN COc1ccc2c(c1F)CC[C@H]2N[C@@H]1CC1(C)C ZINC000343677438 133703553 /nfs/dbraw/zinc/70/35/53/133703553.db2.gz UTUHWCFYXFMUJX-DGCLKSJQSA-N 0 3 249.329 3.210 20 0 BGADHN COc1ccc2c(c1F)CC[C@@H]2N[C@@H]1CC1(C)C ZINC000343677439 353961575 /nfs/dbraw/zinc/96/15/75/353961575.db2.gz UTUHWCFYXFMUJX-WCQYABFASA-N 0 3 249.329 3.210 20 0 BGADHN COc1ccc2c(c1F)CC[C@H]2N[C@H]1CC1(C)C ZINC000343677440 353961602 /nfs/dbraw/zinc/96/16/02/353961602.db2.gz UTUHWCFYXFMUJX-YPMHNXCESA-N 0 3 249.329 3.210 20 0 BGADHN CSCCCN(C)Cc1cc(F)ccc1C ZINC000343682607 353962917 /nfs/dbraw/zinc/96/29/17/353962917.db2.gz RNUBNJHZXQYNPV-UHFFFAOYSA-N 0 3 241.375 3.319 20 0 BGADHN CSCCCN(C)Cc1ccc(F)cc1C ZINC000343688176 353963592 /nfs/dbraw/zinc/96/35/92/353963592.db2.gz YJZKUASKANEECO-UHFFFAOYSA-N 0 3 241.375 3.319 20 0 BGADHN CC[C@@H](NCc1cc(OC)ccn1)C(C)(C)C ZINC000343698085 353966557 /nfs/dbraw/zinc/96/65/57/353966557.db2.gz SLWNYRDWOPJEKN-CYBMUJFWSA-N 0 3 236.359 3.005 20 0 BGADHN CC[C@H](NCc1cc(OC)ccn1)C(C)(C)C ZINC000343698087 353966555 /nfs/dbraw/zinc/96/65/55/353966555.db2.gz SLWNYRDWOPJEKN-ZDUSSCGKSA-N 0 3 236.359 3.005 20 0 BGADHN CCC[C@H]1CCCCN1Cc1cncc(OC)c1 ZINC000343703124 353967260 /nfs/dbraw/zinc/96/72/60/353967260.db2.gz ZJVBRVHUYYCNGO-AWEZNQCLSA-N 0 3 248.370 3.245 20 0 BGADHN CCC[C@@H]1CCCCN1Cc1cncc(OC)c1 ZINC000343703126 353967022 /nfs/dbraw/zinc/96/70/22/353967022.db2.gz ZJVBRVHUYYCNGO-CQSZACIVSA-N 0 3 248.370 3.245 20 0 BGADHN CCOc1cccc(CN2[C@H](CC)CC[C@@H]2C)n1 ZINC000343721693 353959060 /nfs/dbraw/zinc/95/90/60/353959060.db2.gz WHYXEHCEBINCRI-GXTWGEPZSA-N 0 3 248.370 3.243 20 0 BGADHN CCOc1cccc(CN2[C@@H](C)CC[C@@H]2CC)n1 ZINC000343721695 353958659 /nfs/dbraw/zinc/95/86/59/353958659.db2.gz WHYXEHCEBINCRI-JSGCOSHPSA-N 0 3 248.370 3.243 20 0 BGADHN CCOc1cccc(CN2[C@H](C)CC[C@@H]2CC)n1 ZINC000343721697 353958632 /nfs/dbraw/zinc/95/86/32/353958632.db2.gz WHYXEHCEBINCRI-OCCSQVGLSA-N 0 3 248.370 3.243 20 0 BGADHN CCOc1cccc(CN2[C@H](C)CC[C@H]2CC)n1 ZINC000343721699 353958879 /nfs/dbraw/zinc/95/88/79/353958879.db2.gz WHYXEHCEBINCRI-TZMCWYRMSA-N 0 3 248.370 3.243 20 0 BGADHN COCC[C@H](NC1CC(C)C1)c1ccc(C)o1 ZINC000343724767 353959521 /nfs/dbraw/zinc/95/95/21/353959521.db2.gz JPKUGCZHUJAMOM-GDKBPFBDSA-N 0 3 237.343 3.054 20 0 BGADHN COCC[C@@H](NC1CC(C)C1)c1ccc(C)o1 ZINC000343724775 353959571 /nfs/dbraw/zinc/95/95/71/353959571.db2.gz JPKUGCZHUJAMOM-KGPNIALWSA-N 0 3 237.343 3.054 20 0 BGADHN COc1cncc(CN2CCCCC(C)(C)C2)c1 ZINC000343738350 353969765 /nfs/dbraw/zinc/96/97/65/353969765.db2.gz DSSQPRMKYYFPCY-UHFFFAOYSA-N 0 3 248.370 3.102 20 0 BGADHN C[C@H](CO)N(C)Cc1ccc(C2CCCC2)cc1 ZINC000343744926 353971228 /nfs/dbraw/zinc/97/12/28/353971228.db2.gz VRVRUMAQDLUCDK-CYBMUJFWSA-N 0 3 247.382 3.157 20 0 BGADHN C[C@@H](CO)N(C)Cc1ccc(C2CCCC2)cc1 ZINC000343744927 353971210 /nfs/dbraw/zinc/97/12/10/353971210.db2.gz VRVRUMAQDLUCDK-ZDUSSCGKSA-N 0 3 247.382 3.157 20 0 BGADHN CCOc1cccc(CN(C(C)C)C(C)C)n1 ZINC000343748519 353972149 /nfs/dbraw/zinc/97/21/49/353972149.db2.gz ZYFNUFQEVYOOKW-UHFFFAOYSA-N 0 3 236.359 3.099 20 0 BGADHN Cc1cc(CNC[C@@H]2CCCC(C)(C)C2)no1 ZINC000343752144 353972832 /nfs/dbraw/zinc/97/28/32/353972832.db2.gz YMEAONBEVRXJPV-GFCCVEGCSA-N 0 3 236.359 3.289 20 0 BGADHN Cc1cc(CNC[C@H]2CCCC(C)(C)C2)no1 ZINC000343752145 353972485 /nfs/dbraw/zinc/97/24/85/353972485.db2.gz YMEAONBEVRXJPV-LBPRGKRZSA-N 0 3 236.359 3.289 20 0 BGADHN CO[C@H](C)CN(C)c1cc(C)nc2ccccc21 ZINC000343755395 353973277 /nfs/dbraw/zinc/97/32/77/353973277.db2.gz CVNGBOPLTYCZFI-GFCCVEGCSA-N 0 3 244.338 3.014 20 0 BGADHN CO[C@@H](C)CN(C)c1cc(C)nc2ccccc21 ZINC000343755396 353973380 /nfs/dbraw/zinc/97/33/80/353973380.db2.gz CVNGBOPLTYCZFI-LBPRGKRZSA-N 0 3 244.338 3.014 20 0 BGADHN CCOc1cccc(CN(C)[C@H](C)C2CCC2)n1 ZINC000343763269 353978157 /nfs/dbraw/zinc/97/81/57/353978157.db2.gz LFTLCTJDBHKVEY-GFCCVEGCSA-N 0 3 248.370 3.101 20 0 BGADHN CCOc1cccc(CN(C)[C@@H](C)C2CCC2)n1 ZINC000343763276 353978228 /nfs/dbraw/zinc/97/82/28/353978228.db2.gz LFTLCTJDBHKVEY-LBPRGKRZSA-N 0 3 248.370 3.101 20 0 BGADHN COc1cncc(CN(C)[C@@H]2CCC(C)(C)C2)c1 ZINC000343767192 353980688 /nfs/dbraw/zinc/98/06/88/353980688.db2.gz OUGNBWPKRLYBKQ-CYBMUJFWSA-N 0 3 248.370 3.101 20 0 BGADHN COc1cncc(CN(C)[C@H]2CCC(C)(C)C2)c1 ZINC000343767193 353980833 /nfs/dbraw/zinc/98/08/33/353980833.db2.gz OUGNBWPKRLYBKQ-ZDUSSCGKSA-N 0 3 248.370 3.101 20 0 BGADHN CCN(CCO)Cc1ccc(C2CCCC2)cc1 ZINC000343786910 353992289 /nfs/dbraw/zinc/99/22/89/353992289.db2.gz GHPOXBIKYCMJMF-UHFFFAOYSA-N 0 3 247.382 3.158 20 0 BGADHN COc1cncc(CN2CCCC(C)(C)CC2)c1 ZINC000343800659 354005077 /nfs/dbraw/zinc/00/50/77/354005077.db2.gz SMGQDHBIULLPRH-UHFFFAOYSA-N 0 3 248.370 3.102 20 0 BGADHN CO[C@H](C)CN(C)c1ccnc2ccc(C)cc21 ZINC000343805727 136231386 /nfs/dbraw/zinc/23/13/86/136231386.db2.gz HXUHHZIJGAPLSE-GFCCVEGCSA-N 0 3 244.338 3.014 20 0 BGADHN CO[C@@H](C)CN(C)c1ccnc2ccc(C)cc21 ZINC000343805735 136231327 /nfs/dbraw/zinc/23/13/27/136231327.db2.gz HXUHHZIJGAPLSE-LBPRGKRZSA-N 0 3 244.338 3.014 20 0 BGADHN CC[C@@]1(C)CCCN(Cc2cncc(OC)c2)C1 ZINC000343821488 354014321 /nfs/dbraw/zinc/01/43/21/354014321.db2.gz ROMIZJKJCGQQEN-HNNXBMFYSA-N 0 3 248.370 3.102 20 0 BGADHN CC[C@]1(C)CCCN(Cc2cncc(OC)c2)C1 ZINC000343821489 354014636 /nfs/dbraw/zinc/01/46/36/354014636.db2.gz ROMIZJKJCGQQEN-OAHLLOKOSA-N 0 3 248.370 3.102 20 0 BGADHN CC(C)=CCN(C)CCCC(=O)OC(C)(C)C ZINC000343821568 354014480 /nfs/dbraw/zinc/01/44/80/354014480.db2.gz SFZCOYIOHXNUQU-UHFFFAOYSA-N 0 3 241.375 3.006 20 0 BGADHN CC[C@H]1CCCCCN1Cc1cncc(OC)c1 ZINC000343825466 354016113 /nfs/dbraw/zinc/01/61/13/354016113.db2.gz VOIXSMNBKZFTRQ-AWEZNQCLSA-N 0 3 248.370 3.245 20 0 BGADHN CC[C@@H]1CCCCCN1Cc1cncc(OC)c1 ZINC000343825468 354015789 /nfs/dbraw/zinc/01/57/89/354015789.db2.gz VOIXSMNBKZFTRQ-CQSZACIVSA-N 0 3 248.370 3.245 20 0 BGADHN CC1CC(NCc2ncoc2-c2ccccc2)C1 ZINC000343842903 354020002 /nfs/dbraw/zinc/02/00/02/354020002.db2.gz VWLUGMQFTZNOQJ-UHFFFAOYSA-N 0 3 242.322 3.230 20 0 BGADHN CCC1(CC)CCN(Cc2cncc(OC)c2)C1 ZINC000343843381 354019826 /nfs/dbraw/zinc/01/98/26/354019826.db2.gz FSPYQWYURAHFPR-UHFFFAOYSA-N 0 3 248.370 3.102 20 0 BGADHN COc1cncc(CN2CCC[C@H]2C(C)(C)C)c1 ZINC000343851563 354021842 /nfs/dbraw/zinc/02/18/42/354021842.db2.gz HUHWKQUPQQSBDV-AWEZNQCLSA-N 0 3 248.370 3.101 20 0 BGADHN COc1cncc(CN2CCC[C@@H]2C(C)(C)C)c1 ZINC000343851567 354021736 /nfs/dbraw/zinc/02/17/36/354021736.db2.gz HUHWKQUPQQSBDV-CQSZACIVSA-N 0 3 248.370 3.101 20 0 BGADHN COc1cncc(CN2C[C@H](C)CCC[C@H]2C)c1 ZINC000343859342 354024135 /nfs/dbraw/zinc/02/41/35/354024135.db2.gz KWJUABQPHYUGOZ-CHWSQXEVSA-N 0 3 248.370 3.101 20 0 BGADHN COc1cncc(CN2C[C@H](C)CCC[C@@H]2C)c1 ZINC000343859343 354024261 /nfs/dbraw/zinc/02/42/61/354024261.db2.gz KWJUABQPHYUGOZ-OLZOCXBDSA-N 0 3 248.370 3.101 20 0 BGADHN COc1cncc(CN2C[C@@H](C)CCC[C@H]2C)c1 ZINC000343859344 354024312 /nfs/dbraw/zinc/02/43/12/354024312.db2.gz KWJUABQPHYUGOZ-QWHCGFSZSA-N 0 3 248.370 3.101 20 0 BGADHN COc1cncc(CN2C[C@@H](C)CCC[C@@H]2C)c1 ZINC000343859346 354024020 /nfs/dbraw/zinc/02/40/20/354024020.db2.gz KWJUABQPHYUGOZ-STQMWFEESA-N 0 3 248.370 3.101 20 0 BGADHN CC[C@@H](NCC=C(C)C)c1c(C)nn(C)c1C ZINC000343859860 354024900 /nfs/dbraw/zinc/02/49/00/354024900.db2.gz VYJHNXAJSDLAKD-CYBMUJFWSA-N 0 3 235.375 3.044 20 0 BGADHN CC[C@H](NCC=C(C)C)c1c(C)nn(C)c1C ZINC000343859861 354024985 /nfs/dbraw/zinc/02/49/85/354024985.db2.gz VYJHNXAJSDLAKD-ZDUSSCGKSA-N 0 3 235.375 3.044 20 0 BGADHN CC[C@@H]1CCCN(Cc2cncc(OC)c2)CC1 ZINC000343862910 354025978 /nfs/dbraw/zinc/02/59/78/354025978.db2.gz NBRYNAIEBPFCSX-CYBMUJFWSA-N 0 3 248.370 3.102 20 0 BGADHN CC[C@H]1CCCN(Cc2cncc(OC)c2)CC1 ZINC000343862916 354026008 /nfs/dbraw/zinc/02/60/08/354026008.db2.gz NBRYNAIEBPFCSX-ZDUSSCGKSA-N 0 3 248.370 3.102 20 0 BGADHN CC1CC(NCc2cccc(OC(C)(C)C)n2)C1 ZINC000343864823 354025955 /nfs/dbraw/zinc/02/59/55/354025955.db2.gz QKVIPJSJKSZNDK-UHFFFAOYSA-N 0 3 248.370 3.147 20 0 BGADHN CCCCOC1CCN(CC=C(C)C)CC1 ZINC000343866606 354026953 /nfs/dbraw/zinc/02/69/53/354026953.db2.gz OMUHLOXLXHXIEC-UHFFFAOYSA-N 0 3 225.376 3.234 20 0 BGADHN C[C@@H]1CC[C@H](N[C@@H]2CCCc3c[nH]nc32)C[C@H]1C ZINC000343869744 354028092 /nfs/dbraw/zinc/02/80/92/354028092.db2.gz WTDPFMOSFMVFIQ-MHDGFBEUSA-N 0 3 247.386 3.201 20 0 BGADHN C[C@@H]1CC[C@H](N[C@H]2CCCc3c[nH]nc32)C[C@H]1C ZINC000343869745 354028372 /nfs/dbraw/zinc/02/83/72/354028372.db2.gz WTDPFMOSFMVFIQ-RFHZTLPTSA-N 0 3 247.386 3.201 20 0 BGADHN C[C@@H]1CC[C@H](N[C@@H]2CCCc3c[nH]nc32)C[C@@H]1C ZINC000343869746 354028086 /nfs/dbraw/zinc/02/80/86/354028086.db2.gz WTDPFMOSFMVFIQ-UVLXDEKHSA-N 0 3 247.386 3.201 20 0 BGADHN C[C@@H]1CC[C@H](N[C@H]2CCCc3c[nH]nc32)C[C@@H]1C ZINC000343869747 354028179 /nfs/dbraw/zinc/02/81/79/354028179.db2.gz WTDPFMOSFMVFIQ-XWUBHJNHSA-N 0 3 247.386 3.201 20 0 BGADHN CCCCCn1cc(CNC2CC(C)C2)c(C)n1 ZINC000343871114 135706076 /nfs/dbraw/zinc/70/60/76/135706076.db2.gz ZIHHPGNQQLGYNQ-UHFFFAOYSA-N 0 3 249.402 3.270 20 0 BGADHN CCC[C@@H]1CCCN(Cc2cncc(OC)c2)C1 ZINC000343879791 354031000 /nfs/dbraw/zinc/03/10/00/354031000.db2.gz RZIBZOLIQFDSMU-CYBMUJFWSA-N 0 3 248.370 3.102 20 0 BGADHN CCC[C@H]1CCCN(Cc2cncc(OC)c2)C1 ZINC000343879795 354030889 /nfs/dbraw/zinc/03/08/89/354030889.db2.gz RZIBZOLIQFDSMU-ZDUSSCGKSA-N 0 3 248.370 3.102 20 0 BGADHN COc1cncc(CN2CCCC[C@H]2C(C)C)c1 ZINC000343892863 354052105 /nfs/dbraw/zinc/05/21/05/354052105.db2.gz ZPZGZXUQTGAALR-HNNXBMFYSA-N 0 3 248.370 3.101 20 0 BGADHN COc1cncc(CN2CCCC[C@@H]2C(C)C)c1 ZINC000343892866 354051833 /nfs/dbraw/zinc/05/18/33/354051833.db2.gz ZPZGZXUQTGAALR-OAHLLOKOSA-N 0 3 248.370 3.101 20 0 BGADHN CC[C@@H](NCc1cc(C)nc(C)n1)C(C)(C)C ZINC000343916836 354041344 /nfs/dbraw/zinc/04/13/44/354041344.db2.gz ALXBUMLETAAXNQ-CYBMUJFWSA-N 0 3 235.375 3.008 20 0 BGADHN CC[C@H](NCc1cc(C)nc(C)n1)C(C)(C)C ZINC000343916837 354041661 /nfs/dbraw/zinc/04/16/61/354041661.db2.gz ALXBUMLETAAXNQ-ZDUSSCGKSA-N 0 3 235.375 3.008 20 0 BGADHN CN(CCCO)Cc1ccc(C2CCCC2)cc1 ZINC000343940000 354048362 /nfs/dbraw/zinc/04/83/62/354048362.db2.gz MZVGSYPJWPLUPP-UHFFFAOYSA-N 0 3 247.382 3.158 20 0 BGADHN CC[C@@H]1CCCN(Cc2cccc(OC)n2)CC1 ZINC000343941720 354049414 /nfs/dbraw/zinc/04/94/14/354049414.db2.gz WMEHWOUBSISAHZ-CYBMUJFWSA-N 0 3 248.370 3.102 20 0 BGADHN CC[C@H]1CCCN(Cc2cccc(OC)n2)CC1 ZINC000343941722 354049295 /nfs/dbraw/zinc/04/92/95/354049295.db2.gz WMEHWOUBSISAHZ-ZDUSSCGKSA-N 0 3 248.370 3.102 20 0 BGADHN COc1cncc(CN2CCC[C@H]2CC(C)C)c1 ZINC000343954323 354070994 /nfs/dbraw/zinc/07/09/94/354070994.db2.gz GSYKCTWYHZJVCB-AWEZNQCLSA-N 0 3 248.370 3.101 20 0 BGADHN COc1cncc(CN2CCC[C@@H]2CC(C)C)c1 ZINC000343954324 354071024 /nfs/dbraw/zinc/07/10/24/354071024.db2.gz GSYKCTWYHZJVCB-CQSZACIVSA-N 0 3 248.370 3.101 20 0 BGADHN CC(C)CC1(C)CCN(Cc2cncn2C)CC1 ZINC000343960211 354074427 /nfs/dbraw/zinc/07/44/27/354074427.db2.gz HXYMHMAWTGVUQS-UHFFFAOYSA-N 0 3 249.402 3.068 20 0 BGADHN COc1cncc(CN(C)CC2CCCCC2)c1 ZINC000343966518 354075973 /nfs/dbraw/zinc/07/59/73/354075973.db2.gz FYTMUJGXYMVHAG-UHFFFAOYSA-N 0 3 248.370 3.102 20 0 BGADHN C[C@@H]1C[C@H](N[C@H]2C[C@H]2C(F)F)c2ccccc21 ZINC000343985051 354060134 /nfs/dbraw/zinc/06/01/34/354060134.db2.gz MMBQOOJKHOUJGX-KMLBCRHOSA-N 0 3 237.293 3.478 20 0 BGADHN C[C@@H]1C[C@H](N[C@@H]2C[C@H]2C(F)F)c2ccccc21 ZINC000343985054 354060231 /nfs/dbraw/zinc/06/02/31/354060231.db2.gz MMBQOOJKHOUJGX-WRSRJMLGSA-N 0 3 237.293 3.478 20 0 BGADHN C[C@@H]1C[C@H](N[C@H]2C[C@@H]2C(F)F)c2ccccc21 ZINC000343985055 354059789 /nfs/dbraw/zinc/05/97/89/354059789.db2.gz MMBQOOJKHOUJGX-YJRXYDGGSA-N 0 3 237.293 3.478 20 0 BGADHN C[C@@H]1C[C@H](N[C@@H]2C[C@@H]2C(F)F)c2ccccc21 ZINC000343985060 354059823 /nfs/dbraw/zinc/05/98/23/354059823.db2.gz MMBQOOJKHOUJGX-ZJNJWXDTSA-N 0 3 237.293 3.478 20 0 BGADHN CCC1(C)CCN(Cc2cncc(OC)c2)CC1 ZINC000343988945 354062196 /nfs/dbraw/zinc/06/21/96/354062196.db2.gz SKWSZEWEQVXKBS-UHFFFAOYSA-N 0 3 248.370 3.102 20 0 BGADHN CC(C)CC1(C)CCN(Cc2cnc[nH]2)CC1 ZINC000343996638 354065541 /nfs/dbraw/zinc/06/55/41/354065541.db2.gz SVXJPAILUUYXPZ-UHFFFAOYSA-N 0 3 235.375 3.058 20 0 BGADHN CC(C)CC1(C)CCN(Cc2cnn(C)c2)CC1 ZINC000343997267 354065216 /nfs/dbraw/zinc/06/52/16/354065216.db2.gz UEHGRRORLHKGTE-UHFFFAOYSA-N 0 3 249.402 3.068 20 0 BGADHN CC(C)CC1(C)CCN(Cc2ccnn2C)CC1 ZINC000344001636 354067180 /nfs/dbraw/zinc/06/71/80/354067180.db2.gz ZUBPKQVEAPTOSV-UHFFFAOYSA-N 0 3 249.402 3.068 20 0 BGADHN Fc1ccc(F)c(CN2CC[C@@H](C3CC3)C2)c1 ZINC000344005651 354112497 /nfs/dbraw/zinc/11/24/97/354112497.db2.gz MNQPICGNLPHRJE-LLVKDONJSA-N 0 3 237.293 3.197 20 0 BGADHN Fc1ccc(F)c(CN2CC[C@H](C3CC3)C2)c1 ZINC000344005652 354112141 /nfs/dbraw/zinc/11/21/41/354112141.db2.gz MNQPICGNLPHRJE-NSHDSACASA-N 0 3 237.293 3.197 20 0 BGADHN Fc1ccccc1CN1CC[C@@H](C2CC2)C1 ZINC000344006836 354112928 /nfs/dbraw/zinc/11/29/28/354112928.db2.gz OKMMWXHPRRSJPA-GFCCVEGCSA-N 0 3 219.303 3.058 20 0 BGADHN Fc1ccccc1CN1CC[C@H](C2CC2)C1 ZINC000344006837 354112822 /nfs/dbraw/zinc/11/28/22/354112822.db2.gz OKMMWXHPRRSJPA-LBPRGKRZSA-N 0 3 219.303 3.058 20 0 BGADHN COc1ccc(F)cc1CN1CC[C@@H](C2CC2)C1 ZINC000344008950 354114903 /nfs/dbraw/zinc/11/49/03/354114903.db2.gz DICKZBMBXSVDFS-GFCCVEGCSA-N 0 3 249.329 3.066 20 0 BGADHN COc1ccc(F)cc1CN1CC[C@H](C2CC2)C1 ZINC000344008951 354114639 /nfs/dbraw/zinc/11/46/39/354114639.db2.gz DICKZBMBXSVDFS-LBPRGKRZSA-N 0 3 249.329 3.066 20 0 BGADHN Cc1ccc(CN2C[C@H](C)CC(C)(C)C2)nc1 ZINC000344014000 354118615 /nfs/dbraw/zinc/11/86/15/354118615.db2.gz DCNSGMCLJNRCRT-CYBMUJFWSA-N 0 3 232.371 3.258 20 0 BGADHN Cc1ccc(CN2C[C@@H](C)CC(C)(C)C2)nc1 ZINC000344014014 354118681 /nfs/dbraw/zinc/11/86/81/354118681.db2.gz DCNSGMCLJNRCRT-ZDUSSCGKSA-N 0 3 232.371 3.258 20 0 BGADHN Cc1cc(CN(C(C)C)C2CCCCC2)nn1C ZINC000344015356 354078100 /nfs/dbraw/zinc/07/81/00/354078100.db2.gz KBALMOVFJSLOQU-UHFFFAOYSA-N 0 3 249.402 3.272 20 0 BGADHN CCC(CC)N(CC)Cc1nccn1C(C)C ZINC000344023144 354084713 /nfs/dbraw/zinc/08/47/13/354084713.db2.gz HOQYNWGCRIBUMW-UHFFFAOYSA-N 0 3 237.391 3.475 20 0 BGADHN Cc1ccc(CN(C)C[C@H]2CC=CCC2)nc1 ZINC000344026474 354088102 /nfs/dbraw/zinc/08/81/02/354088102.db2.gz JYUWKOZHUPIESU-AWEZNQCLSA-N 0 3 230.355 3.178 20 0 BGADHN Cc1ccc(CN(C)C[C@@H]2CC=CCC2)nc1 ZINC000344026476 354088125 /nfs/dbraw/zinc/08/81/25/354088125.db2.gz JYUWKOZHUPIESU-CQSZACIVSA-N 0 3 230.355 3.178 20 0 BGADHN Fc1ccc(CN2CC[C@@H](C3CC3)C2)c(F)c1 ZINC000344027109 354088619 /nfs/dbraw/zinc/08/86/19/354088619.db2.gz HSRZSSDUSZIHPA-LLVKDONJSA-N 0 3 237.293 3.197 20 0 BGADHN Fc1ccc(CN2CC[C@H](C3CC3)C2)c(F)c1 ZINC000344027110 354088804 /nfs/dbraw/zinc/08/88/04/354088804.db2.gz HSRZSSDUSZIHPA-NSHDSACASA-N 0 3 237.293 3.197 20 0 BGADHN CCC(CC)N(CC)Cc1cccnc1OC ZINC000344027999 354089611 /nfs/dbraw/zinc/08/96/11/354089611.db2.gz LLSHTUIXUPNGLM-UHFFFAOYSA-N 0 3 236.359 3.101 20 0 BGADHN Cc1ccc([C@H](N[C@H]2CCCOC2)C2CCC2)o1 ZINC000344028655 354091086 /nfs/dbraw/zinc/09/10/86/354091086.db2.gz HEVKZTYKLVSZEQ-DZGCQCFKSA-N 0 3 249.354 3.198 20 0 BGADHN Cc1ccc([C@@H](N[C@@H]2CCCOC2)C2CCC2)o1 ZINC000344028656 354091025 /nfs/dbraw/zinc/09/10/25/354091025.db2.gz HEVKZTYKLVSZEQ-HIFRSBDPSA-N 0 3 249.354 3.198 20 0 BGADHN Cc1ccc([C@H](N[C@@H]2CCCOC2)C2CCC2)o1 ZINC000344028657 354091331 /nfs/dbraw/zinc/09/13/31/354091331.db2.gz HEVKZTYKLVSZEQ-UKRRQHHQSA-N 0 3 249.354 3.198 20 0 BGADHN Cc1ccc([C@@H](N[C@H]2CCCOC2)C2CCC2)o1 ZINC000344028659 354090942 /nfs/dbraw/zinc/09/09/42/354090942.db2.gz HEVKZTYKLVSZEQ-ZFWWWQNUSA-N 0 3 249.354 3.198 20 0 BGADHN CCC(CC)N(CC)Cc1cn2ccccc2n1 ZINC000344029540 354091935 /nfs/dbraw/zinc/09/19/35/354091935.db2.gz NKFQATXDEJOLCF-UHFFFAOYSA-N 0 3 245.370 3.345 20 0 BGADHN Cc1noc(C)c1CN1C[C@@H](C)CC(C)(C)C1 ZINC000344029648 354091832 /nfs/dbraw/zinc/09/18/32/354091832.db2.gz NOHFXLUUUZZELR-JTQLQIEISA-N 0 3 236.359 3.159 20 0 BGADHN Cc1noc(C)c1CN1C[C@H](C)CC(C)(C)C1 ZINC000344029657 354091914 /nfs/dbraw/zinc/09/19/14/354091914.db2.gz NOHFXLUUUZZELR-SNVBAGLBSA-N 0 3 236.359 3.159 20 0 BGADHN Cc1ncc(CN2C[C@@H](C)CC(C)(C)C2)s1 ZINC000344030159 354092856 /nfs/dbraw/zinc/09/28/56/354092856.db2.gz NVHNSHCLARIYDJ-JTQLQIEISA-N 0 3 238.400 3.320 20 0 BGADHN Cc1ncc(CN2C[C@H](C)CC(C)(C)C2)s1 ZINC000344030160 354092677 /nfs/dbraw/zinc/09/26/77/354092677.db2.gz NVHNSHCLARIYDJ-SNVBAGLBSA-N 0 3 238.400 3.320 20 0 BGADHN CCC(CC)N(CC)Cc1ccn(C(C)C)n1 ZINC000344034495 354099036 /nfs/dbraw/zinc/09/90/36/354099036.db2.gz RLPMFOAPYXIDOL-UHFFFAOYSA-N 0 3 237.391 3.475 20 0 BGADHN CCC(CC)N(CC)Cc1nc(C)cs1 ZINC000344035355 354100743 /nfs/dbraw/zinc/10/07/43/354100743.db2.gz RVEMMCRBPXPLHC-UHFFFAOYSA-N 0 3 226.389 3.462 20 0 BGADHN CCC(CC)N(CC)Cc1nc(C)c(C)o1 ZINC000344039734 354104923 /nfs/dbraw/zinc/10/49/23/354104923.db2.gz UMWLTOUWNVELAR-UHFFFAOYSA-N 0 3 224.348 3.302 20 0 BGADHN CCC(CC)N(CC)Cc1c(C)noc1C ZINC000344039814 354104885 /nfs/dbraw/zinc/10/48/85/354104885.db2.gz UTVJJZLWDIVFEN-UHFFFAOYSA-N 0 3 224.348 3.302 20 0 BGADHN CCC(CC)N(CC)Cc1ccnn1C(C)C ZINC000344041532 354107324 /nfs/dbraw/zinc/10/73/24/354107324.db2.gz WDCBKWIKBWEYNA-UHFFFAOYSA-N 0 3 237.391 3.475 20 0 BGADHN Fc1ccc(CN2CC[C@@H](C3CC3)C2)cc1F ZINC000344044691 354107195 /nfs/dbraw/zinc/10/71/95/354107195.db2.gz BTFGSVBFKHUUDO-GFCCVEGCSA-N 0 3 237.293 3.197 20 0 BGADHN Fc1ccc(CN2CC[C@H](C3CC3)C2)cc1F ZINC000344044693 354110872 /nfs/dbraw/zinc/11/08/72/354110872.db2.gz BTFGSVBFKHUUDO-LBPRGKRZSA-N 0 3 237.293 3.197 20 0 BGADHN Cc1cccc(CN2C[C@H](C)CC(C)(C)C2)n1 ZINC000344045550 354119668 /nfs/dbraw/zinc/11/96/68/354119668.db2.gz JQAWFFDUGNMPQN-GFCCVEGCSA-N 0 3 232.371 3.258 20 0 BGADHN Cc1cccc(CN2C[C@@H](C)CC(C)(C)C2)n1 ZINC000344045551 354119589 /nfs/dbraw/zinc/11/95/89/354119589.db2.gz JQAWFFDUGNMPQN-LBPRGKRZSA-N 0 3 232.371 3.258 20 0 BGADHN Cc1cccnc1CN(C)C[C@H]1CC=CCC1 ZINC000344062251 354129382 /nfs/dbraw/zinc/12/93/82/354129382.db2.gz NASHNYCSNAHTEY-AWEZNQCLSA-N 0 3 230.355 3.178 20 0 BGADHN Cc1cccnc1CN(C)C[C@@H]1CC=CCC1 ZINC000344062253 354129871 /nfs/dbraw/zinc/12/98/71/354129871.db2.gz NASHNYCSNAHTEY-CQSZACIVSA-N 0 3 230.355 3.178 20 0 BGADHN Cn1cc(CNC2CCC2)c(C2CCCCC2)n1 ZINC000344063499 354129916 /nfs/dbraw/zinc/12/99/16/354129916.db2.gz CTMMUMUUNVMCMI-UHFFFAOYSA-N 0 3 247.386 3.110 20 0 BGADHN CC(C)N1Cc2ccccc2OC(C)(C)C1 ZINC000344065750 354130566 /nfs/dbraw/zinc/13/05/66/354130566.db2.gz GPHOREONARYQIA-UHFFFAOYSA-N 0 3 219.328 3.068 20 0 BGADHN Fc1cccc(CN2CC[C@@H](C3CC3)C2)c1F ZINC000344066769 354130893 /nfs/dbraw/zinc/13/08/93/354130893.db2.gz TXKWQCFHHZJYRU-LLVKDONJSA-N 0 3 237.293 3.197 20 0 BGADHN Fc1cccc(CN2CC[C@H](C3CC3)C2)c1F ZINC000344066770 354130741 /nfs/dbraw/zinc/13/07/41/354130741.db2.gz TXKWQCFHHZJYRU-NSHDSACASA-N 0 3 237.293 3.197 20 0 BGADHN CCO[C@H]1C[C@H](NCc2ccoc2C)C12CCC2 ZINC000344071945 354132870 /nfs/dbraw/zinc/13/28/70/354132870.db2.gz UZQQKLCJDAHRFJ-KBPBESRZSA-N 0 3 249.354 3.025 20 0 BGADHN CCO[C@H]1C[C@@H](NCc2ccoc2C)C12CCC2 ZINC000344071946 354132818 /nfs/dbraw/zinc/13/28/18/354132818.db2.gz UZQQKLCJDAHRFJ-KGLIPLIRSA-N 0 3 249.354 3.025 20 0 BGADHN CCO[C@@H]1C[C@H](NCc2ccoc2C)C12CCC2 ZINC000344071947 354132832 /nfs/dbraw/zinc/13/28/32/354132832.db2.gz UZQQKLCJDAHRFJ-UONOGXRCSA-N 0 3 249.354 3.025 20 0 BGADHN CCO[C@@H]1C[C@@H](NCc2ccoc2C)C12CCC2 ZINC000344071948 354132348 /nfs/dbraw/zinc/13/23/48/354132348.db2.gz UZQQKLCJDAHRFJ-ZIAGYGMSSA-N 0 3 249.354 3.025 20 0 BGADHN Cc1cccc(CN2CCC[C@H](C3CC3)C2)n1 ZINC000344073005 354132206 /nfs/dbraw/zinc/13/22/06/354132206.db2.gz STSFHTTZFSLYKO-AWEZNQCLSA-N 0 3 230.355 3.012 20 0 BGADHN Cc1cccc(CN2CCC[C@@H](C3CC3)C2)n1 ZINC000344073006 354132853 /nfs/dbraw/zinc/13/28/53/354132853.db2.gz STSFHTTZFSLYKO-CQSZACIVSA-N 0 3 230.355 3.012 20 0 BGADHN CCc1noc(C)c1CN(C)C[C@@H]1CC=CCC1 ZINC000344090743 354138015 /nfs/dbraw/zinc/13/80/15/354138015.db2.gz VJWRCNXFBDNHCL-CYBMUJFWSA-N 0 3 248.370 3.334 20 0 BGADHN CCc1noc(C)c1CN(C)C[C@H]1CC=CCC1 ZINC000344090744 354138218 /nfs/dbraw/zinc/13/82/18/354138218.db2.gz VJWRCNXFBDNHCL-ZDUSSCGKSA-N 0 3 248.370 3.334 20 0 BGADHN CC1CCC(N[C@@H]2COc3ccc(F)cc32)CC1 ZINC000344094509 354138811 /nfs/dbraw/zinc/13/88/11/354138811.db2.gz DMWDXKXQLFAQHE-MMWSSPAHSA-N 0 3 249.329 3.428 20 0 BGADHN CC1CCC(N[C@H]2COc3ccc(F)cc32)CC1 ZINC000344094511 354139083 /nfs/dbraw/zinc/13/90/83/354139083.db2.gz DMWDXKXQLFAQHE-OVGLSYRBSA-N 0 3 249.329 3.428 20 0 BGADHN C[C@H](CC1CC1)N[C@@H]1COc2ccc(F)cc21 ZINC000344097190 354139955 /nfs/dbraw/zinc/13/99/55/354139955.db2.gz IISGNAOXGQTTTG-NOZJJQNGSA-N 0 3 235.302 3.037 20 0 BGADHN C[C@H](CC1CC1)N[C@H]1COc2ccc(F)cc21 ZINC000344097192 354139986 /nfs/dbraw/zinc/13/99/86/354139986.db2.gz IISGNAOXGQTTTG-RNCFNFMXSA-N 0 3 235.302 3.037 20 0 BGADHN C[C@@H](CC1CC1)N[C@@H]1COc2ccc(F)cc21 ZINC000344097193 354139935 /nfs/dbraw/zinc/13/99/35/354139935.db2.gz IISGNAOXGQTTTG-TVQRCGJNSA-N 0 3 235.302 3.037 20 0 BGADHN C[C@@H](CC1CC1)N[C@H]1COc2ccc(F)cc21 ZINC000344097195 354139877 /nfs/dbraw/zinc/13/98/77/354139877.db2.gz IISGNAOXGQTTTG-ZANVPECISA-N 0 3 235.302 3.037 20 0 BGADHN CC1(C)CN(CCCF)Cc2ccccc2O1 ZINC000344097873 354139835 /nfs/dbraw/zinc/13/98/35/354139835.db2.gz CJVXEOJSUWZHLO-UHFFFAOYSA-N 0 3 237.318 3.019 20 0 BGADHN CC(C)=CCN(C)Cc1ccccc1N(C)C ZINC000344104305 354158708 /nfs/dbraw/zinc/15/87/08/354158708.db2.gz HNJBOKLYFWTLAL-UHFFFAOYSA-N 0 3 232.371 3.151 20 0 BGADHN C[C@@H]1CC[C@H](N[C@H]2COc3ccc(F)cc32)C1 ZINC000344104917 354159679 /nfs/dbraw/zinc/15/96/79/354159679.db2.gz MHHVYJFAMYCIRV-CDMKHQONSA-N 0 3 235.302 3.037 20 0 BGADHN C[C@@H]1CC[C@@H](N[C@@H]2COc3ccc(F)cc32)C1 ZINC000344104920 354159769 /nfs/dbraw/zinc/15/97/69/354159769.db2.gz MHHVYJFAMYCIRV-IRUJWGPZSA-N 0 3 235.302 3.037 20 0 BGADHN C[C@@H]1CC[C@H](N[C@@H]2COc3ccc(F)cc32)C1 ZINC000344104922 354159823 /nfs/dbraw/zinc/15/98/23/354159823.db2.gz MHHVYJFAMYCIRV-SUZMYJTESA-N 0 3 235.302 3.037 20 0 BGADHN C[C@@H]1CC[C@@H](N[C@H]2COc3ccc(F)cc32)C1 ZINC000344104925 354159575 /nfs/dbraw/zinc/15/95/75/354159575.db2.gz MHHVYJFAMYCIRV-XWIASGKRSA-N 0 3 235.302 3.037 20 0 BGADHN CCc1noc(C)c1CN1CCC[C@@H](C2CC2)C1 ZINC000344105408 354159940 /nfs/dbraw/zinc/15/99/40/354159940.db2.gz PINHZYUMEHBXLM-CYBMUJFWSA-N 0 3 248.370 3.167 20 0 BGADHN CCc1noc(C)c1CN1CCC[C@H](C2CC2)C1 ZINC000344105410 354159802 /nfs/dbraw/zinc/15/98/02/354159802.db2.gz PINHZYUMEHBXLM-ZDUSSCGKSA-N 0 3 248.370 3.167 20 0 BGADHN CC[C@@H](N[C@@H]1COc2ccc(F)cc21)C1CC1 ZINC000344108910 354160947 /nfs/dbraw/zinc/16/09/47/354160947.db2.gz MXNJXBIFPNORQT-CHWSQXEVSA-N 0 3 235.302 3.037 20 0 BGADHN CC[C@@H](N[C@H]1COc2ccc(F)cc21)C1CC1 ZINC000344108911 354160710 /nfs/dbraw/zinc/16/07/10/354160710.db2.gz MXNJXBIFPNORQT-OLZOCXBDSA-N 0 3 235.302 3.037 20 0 BGADHN CC[C@H](N[C@@H]1COc2ccc(F)cc21)C1CC1 ZINC000344108912 354160858 /nfs/dbraw/zinc/16/08/58/354160858.db2.gz MXNJXBIFPNORQT-QWHCGFSZSA-N 0 3 235.302 3.037 20 0 BGADHN CC[C@H](N[C@H]1COc2ccc(F)cc21)C1CC1 ZINC000344108913 535949034 /nfs/dbraw/zinc/94/90/34/535949034.db2.gz MXNJXBIFPNORQT-STQMWFEESA-N 0 3 235.302 3.037 20 0 BGADHN CCCN1Cc2ccccc2OC(C)(C)C1 ZINC000344117636 354142133 /nfs/dbraw/zinc/14/21/33/354142133.db2.gz PTSWCSYFJHHFDP-UHFFFAOYSA-N 0 3 219.328 3.070 20 0 BGADHN CN(C)c1ccccc1CN(C)[C@H]1C=CCCC1 ZINC000344119258 354143611 /nfs/dbraw/zinc/14/36/11/354143611.db2.gz QQQKULYFWKXNFB-HNNXBMFYSA-N 0 3 244.382 3.293 20 0 BGADHN CN(C)c1ccccc1CN(C)[C@@H]1C=CCCC1 ZINC000344119260 354143174 /nfs/dbraw/zinc/14/31/74/354143174.db2.gz QQQKULYFWKXNFB-OAHLLOKOSA-N 0 3 244.382 3.293 20 0 BGADHN Cc1cncc([C@@H](C)N[C@H](C)CC(F)(F)F)c1 ZINC000344119645 354143283 /nfs/dbraw/zinc/14/32/83/354143283.db2.gz VDGIKGDJSVJXEX-NXEZZACHSA-N 0 3 246.276 3.382 20 0 BGADHN Cc1cncc([C@H](C)N[C@@H](C)CC(F)(F)F)c1 ZINC000344119648 135744081 /nfs/dbraw/zinc/74/40/81/135744081.db2.gz VDGIKGDJSVJXEX-UWVGGRQHSA-N 0 3 246.276 3.382 20 0 BGADHN Cc1cncc([C@@H](C)N[C@@H](C)CC(F)(F)F)c1 ZINC000344119653 354143491 /nfs/dbraw/zinc/14/34/91/354143491.db2.gz VDGIKGDJSVJXEX-VHSXEESVSA-N 0 3 246.276 3.382 20 0 BGADHN Cc1cncc([C@H](C)N[C@H](C)CC(F)(F)F)c1 ZINC000344119660 354143389 /nfs/dbraw/zinc/14/33/89/354143389.db2.gz VDGIKGDJSVJXEX-ZJUUUORDSA-N 0 3 246.276 3.382 20 0 BGADHN CC1(C)CCC[C@@H](NCc2ccc(F)cn2)C1 ZINC000344128912 354147253 /nfs/dbraw/zinc/14/72/53/354147253.db2.gz JLCRHVCYQUHOBS-GFCCVEGCSA-N 0 3 236.334 3.279 20 0 BGADHN CC1(C)CCC[C@H](NCc2ccc(F)cn2)C1 ZINC000344128918 354147461 /nfs/dbraw/zinc/14/74/61/354147461.db2.gz JLCRHVCYQUHOBS-LBPRGKRZSA-N 0 3 236.334 3.279 20 0 BGADHN Cc1ccc(CN2CCC[C@H](C3CC3)C2)nc1 ZINC000344134809 354149967 /nfs/dbraw/zinc/14/99/67/354149967.db2.gz ZPPRIKOUEULFLH-AWEZNQCLSA-N 0 3 230.355 3.012 20 0 BGADHN Cc1ccc(CN2CCC[C@@H](C3CC3)C2)nc1 ZINC000344134810 354149262 /nfs/dbraw/zinc/14/92/62/354149262.db2.gz ZPPRIKOUEULFLH-CQSZACIVSA-N 0 3 230.355 3.012 20 0 BGADHN CC(C)n1nccc1CN1CCC[C@H](C2CC2)C1 ZINC000344141270 386743555 /nfs/dbraw/zinc/74/35/55/386743555.db2.gz LMVDSJQOGDRIFR-AWEZNQCLSA-N 0 3 247.386 3.086 20 0 BGADHN CC(C)n1nccc1CN1CCC[C@@H](C2CC2)C1 ZINC000344141271 386744703 /nfs/dbraw/zinc/74/47/03/386744703.db2.gz LMVDSJQOGDRIFR-CQSZACIVSA-N 0 3 247.386 3.086 20 0 BGADHN Cc1cnc(CN2CC[C@@H](C(C)(C)C)C2)s1 ZINC000344183476 354177246 /nfs/dbraw/zinc/17/72/46/354177246.db2.gz AUJIZTXOQJLESI-LLVKDONJSA-N 0 3 238.400 3.320 20 0 BGADHN Cc1cnc(CN2CC[C@H](C(C)(C)C)C2)s1 ZINC000344183477 354177375 /nfs/dbraw/zinc/17/73/75/354177375.db2.gz AUJIZTXOQJLESI-NSHDSACASA-N 0 3 238.400 3.320 20 0 BGADHN CCn1ccnc1CN[C@H]1CCC[C@H](C(C)C)C1 ZINC000344190797 172223696 /nfs/dbraw/zinc/22/36/96/172223696.db2.gz SNACNLACFCVWLF-KBPBESRZSA-N 0 3 249.402 3.207 20 0 BGADHN CCn1ccnc1CN[C@H]1CCC[C@@H](C(C)C)C1 ZINC000344190798 172224732 /nfs/dbraw/zinc/22/47/32/172224732.db2.gz SNACNLACFCVWLF-KGLIPLIRSA-N 0 3 249.402 3.207 20 0 BGADHN CCn1ccnc1CN[C@@H]1CCC[C@H](C(C)C)C1 ZINC000344190799 172223574 /nfs/dbraw/zinc/22/35/74/172223574.db2.gz SNACNLACFCVWLF-UONOGXRCSA-N 0 3 249.402 3.207 20 0 BGADHN CCn1ccnc1CN[C@@H]1CCC[C@@H](C(C)C)C1 ZINC000344190801 172223415 /nfs/dbraw/zinc/22/34/15/172223415.db2.gz SNACNLACFCVWLF-ZIAGYGMSSA-N 0 3 249.402 3.207 20 0 BGADHN CC(C)CC[C@@H]1CCC[C@H]1NCc1ccn(C)n1 ZINC000344209418 354164898 /nfs/dbraw/zinc/16/48/98/354164898.db2.gz JGIIWJFPPLRPGS-DZGCQCFKSA-N 0 3 249.402 3.115 20 0 BGADHN CC(C)CC[C@H]1CCC[C@@H]1NCc1ccn(C)n1 ZINC000344209419 354164916 /nfs/dbraw/zinc/16/49/16/354164916.db2.gz JGIIWJFPPLRPGS-HIFRSBDPSA-N 0 3 249.402 3.115 20 0 BGADHN CC(C)CC[C@H]1CCC[C@H]1NCc1ccn(C)n1 ZINC000344209421 354164925 /nfs/dbraw/zinc/16/49/25/354164925.db2.gz JGIIWJFPPLRPGS-UKRRQHHQSA-N 0 3 249.402 3.115 20 0 BGADHN CC(C)CC[C@@H]1CCC[C@@H]1NCc1ccn(C)n1 ZINC000344209422 354164627 /nfs/dbraw/zinc/16/46/27/354164627.db2.gz JGIIWJFPPLRPGS-ZFWWWQNUSA-N 0 3 249.402 3.115 20 0 BGADHN Cc1ccoc1CN[C@H](C)Cc1cccc(O)c1 ZINC000344209429 354164691 /nfs/dbraw/zinc/16/46/91/354164691.db2.gz JJQIQWWGQGODST-GFCCVEGCSA-N 0 3 245.322 3.014 20 0 BGADHN Cc1ccoc1CN[C@@H](C)Cc1cccc(O)c1 ZINC000344209431 354164618 /nfs/dbraw/zinc/16/46/18/354164618.db2.gz JJQIQWWGQGODST-LBPRGKRZSA-N 0 3 245.322 3.014 20 0 BGADHN CCCC(C)(C)NCc1cccc(OCC)n1 ZINC000344211776 354166015 /nfs/dbraw/zinc/16/60/15/354166015.db2.gz FJUCAXGEZLNOHR-UHFFFAOYSA-N 0 3 236.359 3.149 20 0 BGADHN Fc1ccc(C(F)(F)F)cc1CNC1CCC1 ZINC000344212781 354165623 /nfs/dbraw/zinc/16/56/23/354165623.db2.gz NUQWRSDKJYLLKN-UHFFFAOYSA-N 0 3 247.235 3.487 20 0 BGADHN CCCC[C@H]1CCC[C@@H]1NCc1nccn1CC ZINC000344217295 354197331 /nfs/dbraw/zinc/19/73/31/354197331.db2.gz REYUJPFUIYNDGE-KBPBESRZSA-N 0 3 249.402 3.352 20 0 BGADHN CCCC[C@@H]1CCC[C@@H]1NCc1nccn1CC ZINC000344217297 354197088 /nfs/dbraw/zinc/19/70/88/354197088.db2.gz REYUJPFUIYNDGE-KGLIPLIRSA-N 0 3 249.402 3.352 20 0 BGADHN CCCC[C@H]1CCC[C@H]1NCc1nccn1CC ZINC000344217298 354197167 /nfs/dbraw/zinc/19/71/67/354197167.db2.gz REYUJPFUIYNDGE-UONOGXRCSA-N 0 3 249.402 3.352 20 0 BGADHN CCCC[C@@H]1CCC[C@H]1NCc1nccn1CC ZINC000344217300 354196907 /nfs/dbraw/zinc/19/69/07/354196907.db2.gz REYUJPFUIYNDGE-ZIAGYGMSSA-N 0 3 249.402 3.352 20 0 BGADHN CC1(c2ccccc2)CC(NCc2ccoc2)C1 ZINC000344217693 354181171 /nfs/dbraw/zinc/18/11/71/354181171.db2.gz LANVRHOZHIZLLO-UHFFFAOYSA-N 0 3 241.334 3.490 20 0 BGADHN Cc1ccc(-c2ncc(CNC3CCC3)s2)o1 ZINC000344220732 354182200 /nfs/dbraw/zinc/18/22/00/354182200.db2.gz VUMNQNPUYKPXFE-UHFFFAOYSA-N 0 3 248.351 3.354 20 0 BGADHN CC[C@@]1(C)CCN(Cc2cccc(C)n2)C1 ZINC000344221827 354182220 /nfs/dbraw/zinc/18/22/20/354182220.db2.gz SRTSPXZFEARFCC-AWEZNQCLSA-N 0 3 218.344 3.012 20 0 BGADHN CC[C@]1(C)CCN(Cc2cccc(C)n2)C1 ZINC000344221829 354181750 /nfs/dbraw/zinc/18/17/50/354181750.db2.gz SRTSPXZFEARFCC-CQSZACIVSA-N 0 3 218.344 3.012 20 0 BGADHN CC(C)(C)[C@@H]1CCN(Cc2ncc(C3CC3)o2)C1 ZINC000344222233 354182867 /nfs/dbraw/zinc/18/28/67/354182867.db2.gz SRDWGIBBGDAKJT-GFCCVEGCSA-N 0 3 248.370 3.420 20 0 BGADHN CC(C)(C)[C@H]1CCN(Cc2ncc(C3CC3)o2)C1 ZINC000344222234 354183128 /nfs/dbraw/zinc/18/31/28/354183128.db2.gz SRDWGIBBGDAKJT-LBPRGKRZSA-N 0 3 248.370 3.420 20 0 BGADHN CC1(c2ccccc2)CC(NCc2ccco2)C1 ZINC000344225639 354184015 /nfs/dbraw/zinc/18/40/15/354184015.db2.gz WCEMDUUJQRCIDS-UHFFFAOYSA-N 0 3 241.334 3.490 20 0 BGADHN CC/C=C\CCN1CCCc2occc2C1 ZINC000344232287 354185513 /nfs/dbraw/zinc/18/55/13/354185513.db2.gz GOQCWWYWXBHKRP-ARJAWSKDSA-N 0 3 219.328 3.384 20 0 BGADHN CC/C=C/CCN1CCCc2occc2C1 ZINC000344232289 354185549 /nfs/dbraw/zinc/18/55/49/354185549.db2.gz GOQCWWYWXBHKRP-ONEGZZNKSA-N 0 3 219.328 3.384 20 0 BGADHN CC[C@@]1(C)CCN(Cc2nc3ccccc3o2)C1 ZINC000344234210 354185331 /nfs/dbraw/zinc/18/53/31/354185331.db2.gz IVOZEYJHAKVBJJ-HNNXBMFYSA-N 0 3 244.338 3.450 20 0 BGADHN CC[C@]1(C)CCN(Cc2nc3ccccc3o2)C1 ZINC000344234211 354185605 /nfs/dbraw/zinc/18/56/05/354185605.db2.gz IVOZEYJHAKVBJJ-OAHLLOKOSA-N 0 3 244.338 3.450 20 0 BGADHN c1cc2c(o1)CCCN(Cc1ccccc1)C2 ZINC000344238820 354187491 /nfs/dbraw/zinc/18/74/91/354187491.db2.gz BENNGKOGYUKAGS-UHFFFAOYSA-N 0 3 227.307 3.228 20 0 BGADHN CC(C)N[C@@H](C)c1nc(-c2ccncc2)cs1 ZINC000344288664 354205564 /nfs/dbraw/zinc/20/55/64/354205564.db2.gz JRYOXPSAFZWASL-JTQLQIEISA-N 0 3 247.367 3.264 20 0 BGADHN CC(C)N[C@H](C)c1nc(-c2ccncc2)cs1 ZINC000344288665 354205630 /nfs/dbraw/zinc/20/56/30/354205630.db2.gz JRYOXPSAFZWASL-SNVBAGLBSA-N 0 3 247.367 3.264 20 0 BGADHN Fc1ccccc1NCCCNCc1ccco1 ZINC000344295660 354209372 /nfs/dbraw/zinc/20/93/72/354209372.db2.gz LYIBJRSMQTYNQJ-UHFFFAOYSA-N 0 3 248.301 3.011 20 0 BGADHN CC(C)(NCc1cccc(O)c1)c1cccs1 ZINC000344303925 354214216 /nfs/dbraw/zinc/21/42/16/354214216.db2.gz DKEDDGGPYLKEMB-UHFFFAOYSA-N 0 3 247.363 3.479 20 0 BGADHN CC(C)N[C@@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000344306571 354216174 /nfs/dbraw/zinc/21/61/74/354216174.db2.gz QLJNLGNHJZDHNW-GFCCVEGCSA-N 0 3 237.318 3.426 20 0 BGADHN CC(C)N[C@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000344306573 354216097 /nfs/dbraw/zinc/21/60/97/354216097.db2.gz QLJNLGNHJZDHNW-LBPRGKRZSA-N 0 3 237.318 3.426 20 0 BGADHN COc1cccc(C[C@@H](C)NCc2ccco2)c1 ZINC000344308842 354218118 /nfs/dbraw/zinc/21/81/18/354218118.db2.gz PYAHUPPANXZOCP-GFCCVEGCSA-N 0 3 245.322 3.009 20 0 BGADHN COc1cccc(C[C@H](C)NCc2ccco2)c1 ZINC000344308843 354218044 /nfs/dbraw/zinc/21/80/44/354218044.db2.gz PYAHUPPANXZOCP-LBPRGKRZSA-N 0 3 245.322 3.009 20 0 BGADHN Cc1ccoc1CNCCc1ccc(C)cc1 ZINC000344336398 135764231 /nfs/dbraw/zinc/76/42/31/135764231.db2.gz BGDLLKJCJSPGMY-UHFFFAOYSA-N 0 3 229.323 3.229 20 0 BGADHN C[C@@H]1CCCC[C@H]1CNCc1ccc(F)cn1 ZINC000344339972 354235803 /nfs/dbraw/zinc/23/58/03/354235803.db2.gz ZCJYULGDBDOHLF-NEPJUHHUSA-N 0 3 236.334 3.137 20 0 BGADHN C[C@H]1CCCC[C@@H]1CNCc1ccc(F)cn1 ZINC000344339973 354235952 /nfs/dbraw/zinc/23/59/52/354235952.db2.gz ZCJYULGDBDOHLF-NWDGAFQWSA-N 0 3 236.334 3.137 20 0 BGADHN C[C@H]1CCCC[C@H]1CNCc1ccc(F)cn1 ZINC000344339974 354236464 /nfs/dbraw/zinc/23/64/64/354236464.db2.gz ZCJYULGDBDOHLF-RYUDHWBXSA-N 0 3 236.334 3.137 20 0 BGADHN C[C@@H]1CCCC[C@@H]1CNCc1ccc(F)cn1 ZINC000344339975 354235961 /nfs/dbraw/zinc/23/59/61/354235961.db2.gz ZCJYULGDBDOHLF-VXGBXAGGSA-N 0 3 236.334 3.137 20 0 BGADHN Cc1ccoc1CNC[C@@H]1CCc2ccccc21 ZINC000344343188 354236839 /nfs/dbraw/zinc/23/68/39/354236839.db2.gz FVNUJENVQFZFBW-AWEZNQCLSA-N 0 3 241.334 3.408 20 0 BGADHN Cc1ccoc1CNC[C@H]1CCc2ccccc21 ZINC000344343189 354236904 /nfs/dbraw/zinc/23/69/04/354236904.db2.gz FVNUJENVQFZFBW-CQSZACIVSA-N 0 3 241.334 3.408 20 0 BGADHN Cc1ncccc1CNC(C)(C)c1cccs1 ZINC000344343819 354237948 /nfs/dbraw/zinc/23/79/48/354237948.db2.gz HJQTWAYSCAFWTA-UHFFFAOYSA-N 0 3 246.379 3.476 20 0 BGADHN Cc1noc(C)c1CN[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000344353475 354241329 /nfs/dbraw/zinc/24/13/29/354241329.db2.gz KQXUZTLKVIVQTG-BFHYXJOUSA-N 0 3 248.370 3.350 20 0 BGADHN Cc1noc(C)c1CN[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000344353476 354240730 /nfs/dbraw/zinc/24/07/30/354240730.db2.gz KQXUZTLKVIVQTG-HZSPNIEDSA-N 0 3 248.370 3.350 20 0 BGADHN Cc1noc(C)c1CN[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000344353477 354240830 /nfs/dbraw/zinc/24/08/30/354240830.db2.gz KQXUZTLKVIVQTG-MELADBBJSA-N 0 3 248.370 3.350 20 0 BGADHN Cc1noc(C)c1CN[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000344353478 354241050 /nfs/dbraw/zinc/24/10/50/354241050.db2.gz KQXUZTLKVIVQTG-MGPQQGTHSA-N 0 3 248.370 3.350 20 0 BGADHN Cc1ncc(CNCC[C@@H]2CCCC[C@H]2C)cn1 ZINC000344366988 354244488 /nfs/dbraw/zinc/24/44/88/354244488.db2.gz APHUPJQASFGQDA-DOMZBBRYSA-N 0 3 247.386 3.091 20 0 BGADHN Cc1ncc(CNCC[C@H]2CCCC[C@H]2C)cn1 ZINC000344366991 354244467 /nfs/dbraw/zinc/24/44/67/354244467.db2.gz APHUPJQASFGQDA-IUODEOHRSA-N 0 3 247.386 3.091 20 0 BGADHN Cc1ncc(CNCC[C@H]2CCCC[C@@H]2C)cn1 ZINC000344366997 354244191 /nfs/dbraw/zinc/24/41/91/354244191.db2.gz APHUPJQASFGQDA-SWLSCSKDSA-N 0 3 247.386 3.091 20 0 BGADHN Cc1ncc(CNCC[C@@H]2CCCC[C@@H]2C)cn1 ZINC000344367002 135767417 /nfs/dbraw/zinc/76/74/17/135767417.db2.gz APHUPJQASFGQDA-WFASDCNBSA-N 0 3 247.386 3.091 20 0 BGADHN C[C@H]1CCCC[C@H]1CCNCc1ccccn1 ZINC000344376960 354255712 /nfs/dbraw/zinc/25/57/12/354255712.db2.gz JUERVABSBJXVCH-KBPBESRZSA-N 0 3 232.371 3.388 20 0 BGADHN C[C@@H]1CCCC[C@H]1CCNCc1ccccn1 ZINC000344376961 354255681 /nfs/dbraw/zinc/25/56/81/354255681.db2.gz JUERVABSBJXVCH-KGLIPLIRSA-N 0 3 232.371 3.388 20 0 BGADHN C[C@H]1CCCC[C@@H]1CCNCc1ccccn1 ZINC000344376962 354255813 /nfs/dbraw/zinc/25/58/13/354255813.db2.gz JUERVABSBJXVCH-UONOGXRCSA-N 0 3 232.371 3.388 20 0 BGADHN C[C@@H]1CCCC[C@@H]1CCNCc1ccccn1 ZINC000344376963 354255697 /nfs/dbraw/zinc/25/56/97/354255697.db2.gz JUERVABSBJXVCH-ZIAGYGMSSA-N 0 3 232.371 3.388 20 0 BGADHN Cc1ncc(CNCC[C@H]2CCC[C@H](C)C2)cn1 ZINC000344395910 354259635 /nfs/dbraw/zinc/25/96/35/354259635.db2.gz SOQHVAURYKXQDF-GXTWGEPZSA-N 0 3 247.386 3.091 20 0 BGADHN Cc1ncc(CNCC[C@@H]2CCC[C@H](C)C2)cn1 ZINC000344395917 354259567 /nfs/dbraw/zinc/25/95/67/354259567.db2.gz SOQHVAURYKXQDF-JSGCOSHPSA-N 0 3 247.386 3.091 20 0 BGADHN Cc1ncc(CNCC[C@@H]2CCC[C@@H](C)C2)cn1 ZINC000344395924 354259790 /nfs/dbraw/zinc/25/97/90/354259790.db2.gz SOQHVAURYKXQDF-OCCSQVGLSA-N 0 3 247.386 3.091 20 0 BGADHN Cc1ncc(CNCC[C@H]2CCC[C@@H](C)C2)cn1 ZINC000344395928 354259748 /nfs/dbraw/zinc/25/97/48/354259748.db2.gz SOQHVAURYKXQDF-TZMCWYRMSA-N 0 3 247.386 3.091 20 0 BGADHN CCn1ccnc1CN[C@H](C)CCC(C)(C)C ZINC000344440257 365689870 /nfs/dbraw/zinc/68/98/70/365689870.db2.gz MRAOWYCGFPCPCQ-GFCCVEGCSA-N 0 3 237.391 3.207 20 0 BGADHN CCn1ccnc1CN[C@@H](C)CCC(C)(C)C ZINC000344440260 172224409 /nfs/dbraw/zinc/22/44/09/172224409.db2.gz MRAOWYCGFPCPCQ-LBPRGKRZSA-N 0 3 237.391 3.207 20 0 BGADHN Cc1ncc(CN[C@H](C)CCC(C)(C)C)cn1 ZINC000344442851 135774297 /nfs/dbraw/zinc/77/42/97/135774297.db2.gz SBCLJJUXNGKKSX-LLVKDONJSA-N 0 3 235.375 3.089 20 0 BGADHN Cc1ncc(CN[C@@H](C)CCC(C)(C)C)cn1 ZINC000344442854 354274008 /nfs/dbraw/zinc/27/40/08/354274008.db2.gz SBCLJJUXNGKKSX-NSHDSACASA-N 0 3 235.375 3.089 20 0 BGADHN CC(C)(CNCc1ccco1)Oc1ccccc1 ZINC000344445845 354260279 /nfs/dbraw/zinc/26/02/79/354260279.db2.gz KEDYKKXXSDVZDE-UHFFFAOYSA-N 0 3 245.322 3.227 20 0 BGADHN Cc1ccc(CN[C@@H]2C[C@H]2Cc2ccccc2)o1 ZINC000344454079 354263272 /nfs/dbraw/zinc/26/32/72/354263272.db2.gz DHSISVBJJIUTBE-GDBMZVCRSA-N 0 3 241.334 3.309 20 0 BGADHN Cc1ccc(CN[C@@H]2C[C@@H]2Cc2ccccc2)o1 ZINC000344454080 354263109 /nfs/dbraw/zinc/26/31/09/354263109.db2.gz DHSISVBJJIUTBE-GOEBONIOSA-N 0 3 241.334 3.309 20 0 BGADHN Cc1ccc(CN[C@H]2C[C@@H]2Cc2ccccc2)o1 ZINC000344454081 354263287 /nfs/dbraw/zinc/26/32/87/354263287.db2.gz DHSISVBJJIUTBE-HOCLYGCPSA-N 0 3 241.334 3.309 20 0 BGADHN Cc1ccc(CN[C@H]2C[C@H]2Cc2ccccc2)o1 ZINC000344454082 354262986 /nfs/dbraw/zinc/26/29/86/354262986.db2.gz DHSISVBJJIUTBE-ZBFHGGJFSA-N 0 3 241.334 3.309 20 0 BGADHN Cc1nn(C)c(C)c1CN(C)[C@@H]1CCC(C)(C)C1 ZINC000344497718 354288367 /nfs/dbraw/zinc/28/83/67/354288367.db2.gz MFCPDLPVZQMEEO-CYBMUJFWSA-N 0 3 249.402 3.047 20 0 BGADHN Cc1nn(C)c(C)c1CN(C)[C@H]1CCC(C)(C)C1 ZINC000344497719 354288337 /nfs/dbraw/zinc/28/83/37/354288337.db2.gz MFCPDLPVZQMEEO-ZDUSSCGKSA-N 0 3 249.402 3.047 20 0 BGADHN CC[C@H](NCc1cccc(O)c1)c1ccncc1 ZINC000344534149 354283054 /nfs/dbraw/zinc/28/30/54/354283054.db2.gz RMUSRQFEYQRQBT-HNNXBMFYSA-N 0 3 242.322 3.028 20 0 BGADHN CC[C@@H](NCc1cccc(O)c1)c1ccncc1 ZINC000344534152 354283120 /nfs/dbraw/zinc/28/31/20/354283120.db2.gz RMUSRQFEYQRQBT-OAHLLOKOSA-N 0 3 242.322 3.028 20 0 BGADHN CC[C@H](NCc1ccccc1)c1ccncc1 ZINC000344552365 354317697 /nfs/dbraw/zinc/31/76/97/354317697.db2.gz NIVBJTLNGBNUFM-HNNXBMFYSA-N 0 3 226.323 3.323 20 0 BGADHN CC[C@@H](NCc1ccccc1)c1ccncc1 ZINC000344552366 354317839 /nfs/dbraw/zinc/31/78/39/354317839.db2.gz NIVBJTLNGBNUFM-OAHLLOKOSA-N 0 3 226.323 3.323 20 0 BGADHN CC[C@H](NCc1ccc(F)cc1)c1ccncc1 ZINC000344579993 354310183 /nfs/dbraw/zinc/31/01/83/354310183.db2.gz IAPRTUHCYIZHKU-HNNXBMFYSA-N 0 3 244.313 3.462 20 0 BGADHN CC[C@@H](NCc1ccc(F)cc1)c1ccncc1 ZINC000344579996 354310446 /nfs/dbraw/zinc/31/04/46/354310446.db2.gz IAPRTUHCYIZHKU-OAHLLOKOSA-N 0 3 244.313 3.462 20 0 BGADHN CC[C@@H](NCc1scnc1C)c1ccncc1 ZINC000344584710 354310755 /nfs/dbraw/zinc/31/07/55/354310755.db2.gz ODOHTSOHKWEZNQ-GFCCVEGCSA-N 0 3 247.367 3.087 20 0 BGADHN CC[C@H](NCc1scnc1C)c1ccncc1 ZINC000344584712 354311052 /nfs/dbraw/zinc/31/10/52/354311052.db2.gz ODOHTSOHKWEZNQ-LBPRGKRZSA-N 0 3 247.367 3.087 20 0 BGADHN Cc1ncc(CNCCCCC2CCCC2)cn1 ZINC000344586793 135786032 /nfs/dbraw/zinc/78/60/32/135786032.db2.gz GKGCQWDWGFDJLM-UHFFFAOYSA-N 0 3 247.386 3.235 20 0 BGADHN CC[C@H](NCc1cccc(F)c1)c1ccncc1 ZINC000344589660 354320579 /nfs/dbraw/zinc/32/05/79/354320579.db2.gz VKSOXSHFNVVXOI-HNNXBMFYSA-N 0 3 244.313 3.462 20 0 BGADHN CC[C@@H](NCc1cccc(F)c1)c1ccncc1 ZINC000344589662 354321523 /nfs/dbraw/zinc/32/15/23/354321523.db2.gz VKSOXSHFNVVXOI-OAHLLOKOSA-N 0 3 244.313 3.462 20 0 BGADHN CCCCCN1CCC[C@@H]1c1cc(C)no1 ZINC000344601885 354323336 /nfs/dbraw/zinc/32/33/36/354323336.db2.gz OTFPUADHJIDWAK-GFCCVEGCSA-N 0 3 222.332 3.310 20 0 BGADHN CCCCCN1CCC[C@H]1c1cc(C)no1 ZINC000344601886 354323506 /nfs/dbraw/zinc/32/35/06/354323506.db2.gz OTFPUADHJIDWAK-LBPRGKRZSA-N 0 3 222.332 3.310 20 0 BGADHN Cc1csc(CNCc2cnc(C)s2)c1 ZINC000344605427 188257734 /nfs/dbraw/zinc/25/77/34/188257734.db2.gz BUDANKVZUPFNEJ-UHFFFAOYSA-N 0 3 238.381 3.111 20 0 BGADHN Cc1ncc(CN(C)[C@@H]2CCC(C)(C)C2)s1 ZINC000344606109 354324975 /nfs/dbraw/zinc/32/49/75/354324975.db2.gz JHVUSTUIFVIBOG-LLVKDONJSA-N 0 3 238.400 3.462 20 0 BGADHN Cc1ncc(CN(C)[C@H]2CCC(C)(C)C2)s1 ZINC000344606110 354325091 /nfs/dbraw/zinc/32/50/91/354325091.db2.gz JHVUSTUIFVIBOG-NSHDSACASA-N 0 3 238.400 3.462 20 0 BGADHN Cc1csc(CNCc2ccc(C)nc2)c1 ZINC000344607806 384888243 /nfs/dbraw/zinc/88/82/43/384888243.db2.gz FPQBDVSNIFDIRD-UHFFFAOYSA-N 0 3 232.352 3.050 20 0 BGADHN C/C(=C/c1ccccc1)CNCc1ccn(C)c1 ZINC000344608557 354325040 /nfs/dbraw/zinc/32/50/40/354325040.db2.gz YZARBNIZBHORSE-UVTDQMKNSA-N 0 3 240.350 3.218 20 0 BGADHN Cc1csc(CNCc2cccc(O)c2)c1 ZINC000344609364 388507907 /nfs/dbraw/zinc/50/79/07/388507907.db2.gz ILLOZVYPFUZPKL-UHFFFAOYSA-N 0 3 233.336 3.052 20 0 BGADHN Cc1csc(CN[C@H](C)c2ccncc2)c1 ZINC000344609502 398082073 /nfs/dbraw/zinc/08/20/73/398082073.db2.gz IXKYFGRZOYRFGS-LLVKDONJSA-N 0 3 232.352 3.302 20 0 BGADHN Cc1csc(CN[C@@H](C)c2ccncc2)c1 ZINC000344609503 398081997 /nfs/dbraw/zinc/08/19/97/398081997.db2.gz IXKYFGRZOYRFGS-NSHDSACASA-N 0 3 232.352 3.302 20 0 BGADHN Cc1csc(CNCc2cccc(F)c2)c1 ZINC000344609745 385288640 /nfs/dbraw/zinc/28/86/40/385288640.db2.gz JOGWAIJLGYHNEK-UHFFFAOYSA-N 0 3 235.327 3.485 20 0 BGADHN CCn1cc([C@@H](C)NCc2cc(C)cs2)cn1 ZINC000344610437 388507841 /nfs/dbraw/zinc/50/78/41/388507841.db2.gz KMAYLMGVNHKXKM-LLVKDONJSA-N 0 3 249.383 3.124 20 0 BGADHN CCn1cc([C@H](C)NCc2cc(C)cs2)cn1 ZINC000344610439 388507798 /nfs/dbraw/zinc/50/77/98/388507798.db2.gz KMAYLMGVNHKXKM-NSHDSACASA-N 0 3 249.383 3.124 20 0 BGADHN Cc1csc(CNCc2cnccc2C)c1 ZINC000344610466 187232228 /nfs/dbraw/zinc/23/22/28/187232228.db2.gz KUEOIXWKYDQAAS-UHFFFAOYSA-N 0 3 232.352 3.050 20 0 BGADHN Cc1csc(CNCc2ccc(F)cc2)c1 ZINC000344610961 385290547 /nfs/dbraw/zinc/29/05/47/385290547.db2.gz BNNBZFJDJSKLTD-UHFFFAOYSA-N 0 3 235.327 3.485 20 0 BGADHN COc1ccc(CNCc2cc(C)cs2)cc1 ZINC000344611672 175107948 /nfs/dbraw/zinc/10/79/48/175107948.db2.gz MENYJWSXPGICID-UHFFFAOYSA-N 0 3 247.363 3.355 20 0 BGADHN COc1ccc(CN(C)[C@@H]2CCC(C)(C)C2)cn1 ZINC000344611811 354325802 /nfs/dbraw/zinc/32/58/02/354325802.db2.gz IHLWUQJWEJOVEK-CYBMUJFWSA-N 0 3 248.370 3.101 20 0 BGADHN COc1ccc(CN(C)[C@H]2CCC(C)(C)C2)cn1 ZINC000344611812 354325596 /nfs/dbraw/zinc/32/55/96/354325596.db2.gz IHLWUQJWEJOVEK-ZDUSSCGKSA-N 0 3 248.370 3.101 20 0 BGADHN Cc1csc(CN[C@H](C)c2cccnc2)c1 ZINC000344612521 388507853 /nfs/dbraw/zinc/50/78/53/388507853.db2.gz NANOVMSWRPFKCT-LLVKDONJSA-N 0 3 232.352 3.302 20 0 BGADHN Cc1csc(CN[C@@H](C)c2cccnc2)c1 ZINC000344612522 187394941 /nfs/dbraw/zinc/39/49/41/187394941.db2.gz NANOVMSWRPFKCT-NSHDSACASA-N 0 3 232.352 3.302 20 0 BGADHN Cc1csc(CNCc2ccsc2)c1 ZINC000344613420 187394266 /nfs/dbraw/zinc/39/42/66/187394266.db2.gz OQUIOWFEYXMSFG-UHFFFAOYSA-N 0 3 223.366 3.408 20 0 BGADHN Cc1csc(CNCc2cnn(C(C)C)c2)c1 ZINC000344614202 187231966 /nfs/dbraw/zinc/23/19/66/187231966.db2.gz QORDXMZZYWZWHF-UHFFFAOYSA-N 0 3 249.383 3.124 20 0 BGADHN Cc1csc(CNCc2cncn2C(C)C)c1 ZINC000344614281 187394617 /nfs/dbraw/zinc/39/46/17/187394617.db2.gz RETBLVJEDJKUKY-UHFFFAOYSA-N 0 3 249.383 3.124 20 0 BGADHN COc1cccc(CNCc2cc(C)cs2)c1 ZINC000344616069 175265873 /nfs/dbraw/zinc/26/58/73/175265873.db2.gz SRLKOMKLXXHDMY-UHFFFAOYSA-N 0 3 247.363 3.355 20 0 BGADHN COc1ccccc1CNCc1cc(C)cs1 ZINC000344620485 175330081 /nfs/dbraw/zinc/33/00/81/175330081.db2.gz IUYVDEDOHHODSY-UHFFFAOYSA-N 0 3 247.363 3.355 20 0 BGADHN Cc1csc(CNCc2cccs2)c1 ZINC000344620993 398082231 /nfs/dbraw/zinc/08/22/31/398082231.db2.gz ZSJIWWSQNXUGGU-UHFFFAOYSA-N 0 3 223.366 3.408 20 0 BGADHN Cc1csc(CNCc2scnc2C)c1 ZINC000344622266 187232040 /nfs/dbraw/zinc/23/20/40/187232040.db2.gz LMTOMGJKWGGJBU-UHFFFAOYSA-N 0 3 238.381 3.111 20 0 BGADHN Cc1ccc(CC[C@@H](C)NCc2ccccn2)o1 ZINC000344624960 354329067 /nfs/dbraw/zinc/32/90/67/354329067.db2.gz MJJPZLOPRXDDCB-GFCCVEGCSA-N 0 3 244.338 3.094 20 0 BGADHN Cc1ccc(CC[C@H](C)NCc2ccccn2)o1 ZINC000344624961 135787828 /nfs/dbraw/zinc/78/78/28/135787828.db2.gz MJJPZLOPRXDDCB-LBPRGKRZSA-N 0 3 244.338 3.094 20 0 BGADHN Cc1ccc(CC[C@@H](C)NCc2ccco2)o1 ZINC000344630751 354330453 /nfs/dbraw/zinc/33/04/53/354330453.db2.gz QTNJXBPGQOPHPC-LLVKDONJSA-N 0 3 233.311 3.292 20 0 BGADHN Cc1ccc(CC[C@H](C)NCc2ccco2)o1 ZINC000344630752 354330423 /nfs/dbraw/zinc/33/04/23/354330423.db2.gz QTNJXBPGQOPHPC-NSHDSACASA-N 0 3 233.311 3.292 20 0 BGADHN CSCCN(C)Cc1ccc(Cl)cc1C ZINC000344641249 354320219 /nfs/dbraw/zinc/32/02/19/354320219.db2.gz VNYQXWHKUOGGNM-UHFFFAOYSA-N 0 3 243.803 3.443 20 0 BGADHN Cc1csc(CNCc2cccnc2C)c1 ZINC000344649408 388509041 /nfs/dbraw/zinc/50/90/41/388509041.db2.gz ZSFLILDHYLBGLC-UHFFFAOYSA-N 0 3 232.352 3.050 20 0 BGADHN C[C@H](CC1CCCC1)NCc1ccc(F)cn1 ZINC000344682864 354333367 /nfs/dbraw/zinc/33/33/67/354333367.db2.gz UVZXFFOQIAUHAS-LLVKDONJSA-N 0 3 236.334 3.279 20 0 BGADHN C[C@@H](CC1CCCC1)NCc1ccc(F)cn1 ZINC000344682866 354333232 /nfs/dbraw/zinc/33/32/32/354333232.db2.gz UVZXFFOQIAUHAS-NSHDSACASA-N 0 3 236.334 3.279 20 0 BGADHN CC1(CNCc2ccccc2OCC2CC2)CC1 ZINC000344695107 354335530 /nfs/dbraw/zinc/33/55/30/354335530.db2.gz BZTWHTBMDDMPIZ-UHFFFAOYSA-N 0 3 245.366 3.365 20 0 BGADHN CC1(CNCc2coc(-c3ccccc3)n2)CC1 ZINC000344696804 354336251 /nfs/dbraw/zinc/33/62/51/354336251.db2.gz HFWYVPUGCMQWML-UHFFFAOYSA-N 0 3 242.322 3.231 20 0 BGADHN COCCC(C)(C)NCc1cc(C)ccc1F ZINC000344699453 388508582 /nfs/dbraw/zinc/50/85/82/388508582.db2.gz OSECAWIAFMFYBQ-UHFFFAOYSA-N 0 3 239.334 3.039 20 0 BGADHN CCC1(CC)CN(Cc2ccco2)CCS1 ZINC000344711512 354353630 /nfs/dbraw/zinc/35/36/30/354353630.db2.gz VUNOSQHMYFPQCY-UHFFFAOYSA-N 0 3 239.384 3.387 20 0 BGADHN CCn1ccnc1CN[C@@H]1CCC(C)(C)C[C@H]1C ZINC000344717354 388508783 /nfs/dbraw/zinc/50/87/83/388508783.db2.gz VEMCYZRMQYFZTI-CHWSQXEVSA-N 0 3 249.402 3.207 20 0 BGADHN CCn1ccnc1CN[C@H]1CCC(C)(C)C[C@H]1C ZINC000344717355 388508971 /nfs/dbraw/zinc/50/89/71/388508971.db2.gz VEMCYZRMQYFZTI-OLZOCXBDSA-N 0 3 249.402 3.207 20 0 BGADHN CCn1ccnc1CN[C@@H]1CCC(C)(C)C[C@@H]1C ZINC000344717356 388508327 /nfs/dbraw/zinc/50/83/27/388508327.db2.gz VEMCYZRMQYFZTI-QWHCGFSZSA-N 0 3 249.402 3.207 20 0 BGADHN CCn1ccnc1CN[C@H]1CCC(C)(C)C[C@@H]1C ZINC000344717357 388508990 /nfs/dbraw/zinc/50/89/90/388508990.db2.gz VEMCYZRMQYFZTI-STQMWFEESA-N 0 3 249.402 3.207 20 0 BGADHN Cc1cnc([C@H](C)N[C@@H]2CCC[C@@H]2C2CC2)o1 ZINC000344741362 354347762 /nfs/dbraw/zinc/34/77/62/354347762.db2.gz WTHATIQOKJUZBQ-CYZMBNFOSA-N 0 3 234.343 3.212 20 0 BGADHN Cc1cnc([C@H](C)N[C@H]2CCC[C@H]2C2CC2)o1 ZINC000344741363 354348056 /nfs/dbraw/zinc/34/80/56/354348056.db2.gz WTHATIQOKJUZBQ-DRZSPHRISA-N 0 3 234.343 3.212 20 0 BGADHN Cc1cnc([C@H](C)N[C@H]2CCC[C@@H]2C2CC2)o1 ZINC000344741364 354347897 /nfs/dbraw/zinc/34/78/97/354347897.db2.gz WTHATIQOKJUZBQ-UHTWSYAYSA-N 0 3 234.343 3.212 20 0 BGADHN Cc1cnc([C@H](C)N[C@@H]2CCC[C@H]2C2CC2)o1 ZINC000344741365 354347643 /nfs/dbraw/zinc/34/76/43/354347643.db2.gz WTHATIQOKJUZBQ-WCFLWFBJSA-N 0 3 234.343 3.212 20 0 BGADHN CO[C@@H](CNCc1coc2ccccc12)C(C)C ZINC000344744403 385292852 /nfs/dbraw/zinc/29/28/52/385292852.db2.gz UVRMDASLRHYTOB-HNNXBMFYSA-N 0 3 247.338 3.193 20 0 BGADHN CO[C@H](CNCc1coc2ccccc12)C(C)C ZINC000344744407 174867703 /nfs/dbraw/zinc/86/77/03/174867703.db2.gz UVRMDASLRHYTOB-OAHLLOKOSA-N 0 3 247.338 3.193 20 0 BGADHN C[C@H](NCc1cc[nH]n1)[C@@H](C)C1CCCCC1 ZINC000344772213 354359728 /nfs/dbraw/zinc/35/97/28/354359728.db2.gz MSTOQEJTMARDEL-NEPJUHHUSA-N 0 3 235.375 3.104 20 0 BGADHN C[C@@H](NCc1cc[nH]n1)[C@H](C)C1CCCCC1 ZINC000344772214 354359749 /nfs/dbraw/zinc/35/97/49/354359749.db2.gz MSTOQEJTMARDEL-NWDGAFQWSA-N 0 3 235.375 3.104 20 0 BGADHN C[C@@H]([C@H](C)NCc1cc[nH]n1)C1CCCCC1 ZINC000344772218 354359622 /nfs/dbraw/zinc/35/96/22/354359622.db2.gz MSTOQEJTMARDEL-RYUDHWBXSA-N 0 3 235.375 3.104 20 0 BGADHN C[C@@H](NCc1cc[nH]n1)[C@@H](C)C1CCCCC1 ZINC000344772222 354359673 /nfs/dbraw/zinc/35/96/73/354359673.db2.gz MSTOQEJTMARDEL-VXGBXAGGSA-N 0 3 235.375 3.104 20 0 BGADHN Fc1ccc(CN[C@@H]2CCCC(F)(F)C2)cc1 ZINC000344780782 354365577 /nfs/dbraw/zinc/36/55/77/354365577.db2.gz YXXHQTBLVJYTDK-GFCCVEGCSA-N 0 3 243.272 3.493 20 0 BGADHN Fc1ccc(CN[C@H]2CCCC(F)(F)C2)cc1 ZINC000344780788 354365678 /nfs/dbraw/zinc/36/56/78/354365678.db2.gz YXXHQTBLVJYTDK-LBPRGKRZSA-N 0 3 243.272 3.493 20 0 BGADHN Cc1ncc(CNCC2(CC(C)C)CCC2)cn1 ZINC000344787727 354369647 /nfs/dbraw/zinc/36/96/47/354369647.db2.gz FBSGMLCLDHOQKW-UHFFFAOYSA-N 0 3 247.386 3.091 20 0 BGADHN Fc1ccccc1CN[C@@H]1CCCC(F)(F)C1 ZINC000344795935 354374093 /nfs/dbraw/zinc/37/40/93/354374093.db2.gz PXORGRMWEILZGZ-LLVKDONJSA-N 0 3 243.272 3.493 20 0 BGADHN Fc1ccccc1CN[C@H]1CCCC(F)(F)C1 ZINC000344795938 354374037 /nfs/dbraw/zinc/37/40/37/354374037.db2.gz PXORGRMWEILZGZ-NSHDSACASA-N 0 3 243.272 3.493 20 0 BGADHN Fc1cccc(CN[C@@H]2CCCC(F)(F)C2)c1 ZINC000344820674 386781358 /nfs/dbraw/zinc/78/13/58/386781358.db2.gz HRYPDWKMMDGVNY-GFCCVEGCSA-N 0 3 243.272 3.493 20 0 BGADHN Fc1cccc(CN[C@H]2CCCC(F)(F)C2)c1 ZINC000344820675 386780306 /nfs/dbraw/zinc/78/03/06/386780306.db2.gz HRYPDWKMMDGVNY-LBPRGKRZSA-N 0 3 243.272 3.493 20 0 BGADHN CCC(CC)[C@H](CCNCc1ccco1)OC ZINC000344822388 386780981 /nfs/dbraw/zinc/78/09/81/386780981.db2.gz DJPDIWZFBAEBMU-AWEZNQCLSA-N 0 3 239.359 3.211 20 0 BGADHN CCC(CC)[C@@H](CCNCc1ccco1)OC ZINC000344822401 386780899 /nfs/dbraw/zinc/78/08/99/386780899.db2.gz DJPDIWZFBAEBMU-CQSZACIVSA-N 0 3 239.359 3.211 20 0 BGADHN CCn1ccnc1CNC1CCC(C)(CC)CC1 ZINC000344831926 386756266 /nfs/dbraw/zinc/75/62/66/386756266.db2.gz OJICRIPFEUISHA-UHFFFAOYSA-N 0 3 249.402 3.352 20 0 BGADHN CCn1nccc1CN1CC(C)(C)CC(C)(C)C1 ZINC000344889144 386792439 /nfs/dbraw/zinc/79/24/39/386792439.db2.gz LEUJTWLUMWTBTD-UHFFFAOYSA-N 0 3 249.402 3.161 20 0 BGADHN CCn1cc(CN2CC(C)(C)CC(C)(C)C2)cn1 ZINC000344889207 386792551 /nfs/dbraw/zinc/79/25/51/386792551.db2.gz LJCIDCQLCSAPAB-UHFFFAOYSA-N 0 3 249.402 3.161 20 0 BGADHN CC1(C)CN(Cc2cncs2)CC(C)(C)C1 ZINC000344892788 386792387 /nfs/dbraw/zinc/79/23/87/386792387.db2.gz PUJUYXUIHDACOP-UHFFFAOYSA-N 0 3 238.400 3.401 20 0 BGADHN Cc1n[nH]c(C)c1CN1CC(C)(C)CC(C)(C)C1 ZINC000344895673 386797110 /nfs/dbraw/zinc/79/71/10/386797110.db2.gz OFLMZCZRXWHJTE-UHFFFAOYSA-N 0 3 249.402 3.285 20 0 BGADHN CC1(C)CCC(NCc2ccc(F)cn2)CC1 ZINC000344900945 386795972 /nfs/dbraw/zinc/79/59/72/386795972.db2.gz HGQLIOROUCMTCG-UHFFFAOYSA-N 0 3 236.334 3.279 20 0 BGADHN C[C@H]1CC(NCc2ccc(F)cn2)C[C@H](C)C1 ZINC000344901078 386796278 /nfs/dbraw/zinc/79/62/78/386796278.db2.gz IAZRJQMSDHLLAM-GHMZBOCLSA-N 0 3 236.334 3.135 20 0 BGADHN C[C@@H]1CC(NCc2ccc(F)cn2)C[C@@H](C)C1 ZINC000344901079 386795685 /nfs/dbraw/zinc/79/56/85/386795685.db2.gz IAZRJQMSDHLLAM-QWRGUYRKSA-N 0 3 236.334 3.135 20 0 BGADHN C[C@H]1C[C@H](NCc2ccc(F)cn2)C[C@@H](C)C1 ZINC000344901081 386797191 /nfs/dbraw/zinc/79/71/91/386797191.db2.gz IAZRJQMSDHLLAM-YABSGUDNSA-N 0 3 236.334 3.135 20 0 BGADHN CCn1ccnc1CNC1CCC(C(C)C)CC1 ZINC000344903804 172224377 /nfs/dbraw/zinc/22/43/77/172224377.db2.gz LESATNREPFKZEW-UHFFFAOYSA-N 0 3 249.402 3.207 20 0 BGADHN Fc1ccc(CNCC2CCCCCC2)nc1 ZINC000344906569 386798762 /nfs/dbraw/zinc/79/87/62/386798762.db2.gz OSSRPIMSJMRNKE-UHFFFAOYSA-N 0 3 236.334 3.281 20 0 BGADHN Fc1ccc(CN[C@@H]2CCC[C@H](C3CC3)C2)nc1 ZINC000344907642 386799157 /nfs/dbraw/zinc/79/91/57/386799157.db2.gz PQRCFGRHHQRSSH-GXTWGEPZSA-N 0 3 248.345 3.279 20 0 BGADHN Fc1ccc(CN[C@H]2CCC[C@H](C3CC3)C2)nc1 ZINC000344907652 386799174 /nfs/dbraw/zinc/79/91/74/386799174.db2.gz PQRCFGRHHQRSSH-JSGCOSHPSA-N 0 3 248.345 3.279 20 0 BGADHN Fc1ccc(CN[C@H]2CCC[C@@H](C3CC3)C2)nc1 ZINC000344907653 386799646 /nfs/dbraw/zinc/79/96/46/386799646.db2.gz PQRCFGRHHQRSSH-OCCSQVGLSA-N 0 3 248.345 3.279 20 0 BGADHN Fc1ccc(CN[C@@H]2CCC[C@@H](C3CC3)C2)nc1 ZINC000344907654 135805972 /nfs/dbraw/zinc/80/59/72/135805972.db2.gz PQRCFGRHHQRSSH-TZMCWYRMSA-N 0 3 248.345 3.279 20 0 BGADHN CC[C@H]1CCC[C@H](NCc2ccc(F)cn2)C1 ZINC000344907760 386798206 /nfs/dbraw/zinc/79/82/06/386798206.db2.gz QLBYOBOGDHZADI-AAEUAGOBSA-N 0 3 236.334 3.279 20 0 BGADHN CC[C@@H]1CCC[C@@H](NCc2ccc(F)cn2)C1 ZINC000344907761 386798026 /nfs/dbraw/zinc/79/80/26/386798026.db2.gz QLBYOBOGDHZADI-DGCLKSJQSA-N 0 3 236.334 3.279 20 0 BGADHN CC[C@H]1CCC[C@@H](NCc2ccc(F)cn2)C1 ZINC000344907762 386798710 /nfs/dbraw/zinc/79/87/10/386798710.db2.gz QLBYOBOGDHZADI-WCQYABFASA-N 0 3 236.334 3.279 20 0 BGADHN CC[C@@H]1CCC[C@H](NCc2ccc(F)cn2)C1 ZINC000344907763 386798314 /nfs/dbraw/zinc/79/83/14/386798314.db2.gz QLBYOBOGDHZADI-YPMHNXCESA-N 0 3 236.334 3.279 20 0 BGADHN CCC1CCC(NCc2ccc(F)cn2)CC1 ZINC000344910767 386802601 /nfs/dbraw/zinc/80/26/01/386802601.db2.gz WAWRCFAZAQBBJX-UHFFFAOYSA-N 0 3 236.334 3.279 20 0 BGADHN CS[C@@H]1CC[C@@H]1NCc1coc2ccccc12 ZINC000344960084 354383217 /nfs/dbraw/zinc/38/32/17/354383217.db2.gz XXPCZPFJVRRPII-GXTWGEPZSA-N 0 3 247.363 3.416 20 0 BGADHN CS[C@H]1CC[C@@H]1NCc1coc2ccccc12 ZINC000344960086 354383541 /nfs/dbraw/zinc/38/35/41/354383541.db2.gz XXPCZPFJVRRPII-JSGCOSHPSA-N 0 3 247.363 3.416 20 0 BGADHN CS[C@H]1CC[C@H]1NCc1coc2ccccc12 ZINC000344960087 354383307 /nfs/dbraw/zinc/38/33/07/354383307.db2.gz XXPCZPFJVRRPII-OCCSQVGLSA-N 0 3 247.363 3.416 20 0 BGADHN CS[C@@H]1CC[C@H]1NCc1coc2ccccc12 ZINC000344960089 354384296 /nfs/dbraw/zinc/38/42/96/354384296.db2.gz XXPCZPFJVRRPII-TZMCWYRMSA-N 0 3 247.363 3.416 20 0 BGADHN CCC[C@H](N[C@@H]1C=C[C@@H](CO)C1)c1ccccc1 ZINC000345049920 385964322 /nfs/dbraw/zinc/96/43/22/385964322.db2.gz HMTRYQDGHDWJOP-BMFZPTHFSA-N 0 3 245.366 3.054 20 0 BGADHN CCC[C@H](N[C@H]1C=C[C@H](CO)C1)c1ccccc1 ZINC000345049922 385963343 /nfs/dbraw/zinc/96/33/43/385963343.db2.gz HMTRYQDGHDWJOP-BPUTZDHNSA-N 0 3 245.366 3.054 20 0 BGADHN CCC[C@H](N[C@H]1C=C[C@@H](CO)C1)c1ccccc1 ZINC000345049923 385963293 /nfs/dbraw/zinc/96/32/93/385963293.db2.gz HMTRYQDGHDWJOP-KBMXLJTQSA-N 0 3 245.366 3.054 20 0 BGADHN C[C@@H]1CCC[C@@H](N[C@H](c2nccn2C)C2CC2)C1 ZINC000345052364 385964122 /nfs/dbraw/zinc/96/41/22/385964122.db2.gz CIPAPZLYYSOZFX-BNOWGMLFSA-N 0 3 247.386 3.040 20 0 BGADHN C[C@@H]1CCC[C@H](N[C@@H](c2nccn2C)C2CC2)C1 ZINC000345052365 385963561 /nfs/dbraw/zinc/96/35/61/385963561.db2.gz CIPAPZLYYSOZFX-KWCYVHTRSA-N 0 3 247.386 3.040 20 0 BGADHN C[C@@H]1CCC[C@@H](N[C@@H](c2nccn2C)C2CC2)C1 ZINC000345052366 385964653 /nfs/dbraw/zinc/96/46/53/385964653.db2.gz CIPAPZLYYSOZFX-MRVWCRGKSA-N 0 3 247.386 3.040 20 0 BGADHN C[C@@H]1CCC[C@H](N[C@H](c2nccn2C)C2CC2)C1 ZINC000345052367 385964332 /nfs/dbraw/zinc/96/43/32/385964332.db2.gz CIPAPZLYYSOZFX-XBFCOCLRSA-N 0 3 247.386 3.040 20 0 BGADHN CC[C@H](N[C@H]1CCC[C@@H](C)C1)c1nccn1C ZINC000345061955 386002538 /nfs/dbraw/zinc/00/25/38/386002538.db2.gz QZIVKSZUZFNKPK-AGIUHOORSA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@H](N[C@H]1CCC[C@H](C)C1)c1nccn1C ZINC000345061956 535945851 /nfs/dbraw/zinc/94/58/51/535945851.db2.gz QZIVKSZUZFNKPK-AVGNSLFASA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@H](N[C@@H]1CCC[C@@H](C)C1)c1nccn1C ZINC000345061957 535934638 /nfs/dbraw/zinc/93/46/38/535934638.db2.gz QZIVKSZUZFNKPK-UPJWGTAASA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@H](N[C@@H]1CCC[C@H](C)C1)c1nccn1C ZINC000345061958 386002493 /nfs/dbraw/zinc/00/24/93/386002493.db2.gz QZIVKSZUZFNKPK-XQQFMLRXSA-N 0 3 235.375 3.040 20 0 BGADHN Cc1cc(N2CCC(F)(F)C2)c2ccccc2n1 ZINC000345076916 135880051 /nfs/dbraw/zinc/88/00/51/135880051.db2.gz RRZUHRWFWIRMNH-UHFFFAOYSA-N 0 3 248.276 3.389 20 0 BGADHN CN(CCCOc1ccccc1)Cc1ccoc1 ZINC000345089505 385990766 /nfs/dbraw/zinc/99/07/66/385990766.db2.gz HQESFSIPKAIKFD-UHFFFAOYSA-N 0 3 245.322 3.181 20 0 BGADHN CN(CCCc1ccccc1)Cc1ccoc1 ZINC000345090869 385994824 /nfs/dbraw/zinc/99/48/24/385994824.db2.gz LUWZQSWUEYRVHO-UHFFFAOYSA-N 0 3 229.323 3.344 20 0 BGADHN CC(C)[C@H](N[C@@H](C)CO)c1cc2ccccc2o1 ZINC000345174564 386042527 /nfs/dbraw/zinc/04/25/27/386042527.db2.gz YXKVIHDTNRCZLC-NHYWBVRUSA-N 0 3 247.338 3.100 20 0 BGADHN CC(C)[C@@H](N[C@@H](C)CO)c1cc2ccccc2o1 ZINC000345174566 386043443 /nfs/dbraw/zinc/04/34/43/386043443.db2.gz YXKVIHDTNRCZLC-XHDPSFHLSA-N 0 3 247.338 3.100 20 0 BGADHN C[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000345202375 386057350 /nfs/dbraw/zinc/05/73/50/386057350.db2.gz PUJOGCQRVPPENH-JTQLQIEISA-N 0 3 209.720 3.497 20 0 BGADHN C[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000345202376 386058856 /nfs/dbraw/zinc/05/88/56/386058856.db2.gz PUJOGCQRVPPENH-SNVBAGLBSA-N 0 3 209.720 3.497 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H](C)Cc2ccncc2)o1 ZINC000345204279 386060638 /nfs/dbraw/zinc/06/06/38/386060638.db2.gz OCBHLNMUCNBCJT-AAEUAGOBSA-N 0 3 244.338 3.265 20 0 BGADHN Cc1ccc([C@@H](C)N[C@H](C)Cc2ccncc2)o1 ZINC000345204288 386059472 /nfs/dbraw/zinc/05/94/72/386059472.db2.gz OCBHLNMUCNBCJT-DGCLKSJQSA-N 0 3 244.338 3.265 20 0 BGADHN Cc1ccc([C@@H](C)N[C@@H](C)Cc2ccncc2)o1 ZINC000345204289 386060875 /nfs/dbraw/zinc/06/08/75/386060875.db2.gz OCBHLNMUCNBCJT-WCQYABFASA-N 0 3 244.338 3.265 20 0 BGADHN Cc1ccc([C@H](C)N[C@H](C)Cc2ccncc2)o1 ZINC000345204291 135890611 /nfs/dbraw/zinc/89/06/11/135890611.db2.gz OCBHLNMUCNBCJT-YPMHNXCESA-N 0 3 244.338 3.265 20 0 BGADHN Cc1c([C@H](C)NC2CC(C)C2)cnn1C(C)C ZINC000345269790 386068771 /nfs/dbraw/zinc/06/87/71/386068771.db2.gz GNVIDUWMBIIHRK-AKJDGMEZSA-N 0 3 235.375 3.222 20 0 BGADHN Cc1c([C@@H](C)NC2CC(C)C2)cnn1C(C)C ZINC000345269791 386068357 /nfs/dbraw/zinc/06/83/57/386068357.db2.gz GNVIDUWMBIIHRK-QWKFWESOSA-N 0 3 235.375 3.222 20 0 BGADHN Cc1c([C@H](C)NC2CC(C)C2)cnn1C(C)(C)C ZINC000345279780 354614744 /nfs/dbraw/zinc/61/47/44/354614744.db2.gz UQDIRLZJRSFNPH-AKJDGMEZSA-N 0 3 249.402 3.396 20 0 BGADHN Cc1c([C@@H](C)NC2CC(C)C2)cnn1C(C)(C)C ZINC000345279784 354614831 /nfs/dbraw/zinc/61/48/31/354614831.db2.gz UQDIRLZJRSFNPH-QWKFWESOSA-N 0 3 249.402 3.396 20 0 BGADHN Cc1c([C@H](C)NC2CCC2)cnn1C(C)(C)C ZINC000345282506 386088641 /nfs/dbraw/zinc/08/86/41/386088641.db2.gz ZUDJRCLZZYVRJY-JTQLQIEISA-N 0 3 235.375 3.150 20 0 BGADHN Cc1c([C@@H](C)NC2CCC2)cnn1C(C)(C)C ZINC000345282507 386089591 /nfs/dbraw/zinc/08/95/91/386089591.db2.gz ZUDJRCLZZYVRJY-SNVBAGLBSA-N 0 3 235.375 3.150 20 0 BGADHN Cc1c([C@H](C)N[C@H]2CC2(C)C)cnn1C(C)(C)C ZINC000345286866 386091223 /nfs/dbraw/zinc/09/12/23/386091223.db2.gz DOXCXTBDEVVRSW-GWCFXTLKSA-N 0 3 249.402 3.396 20 0 BGADHN Cc1c([C@H](C)N[C@@H]2CC2(C)C)cnn1C(C)(C)C ZINC000345286867 386091672 /nfs/dbraw/zinc/09/16/72/386091672.db2.gz DOXCXTBDEVVRSW-GXFFZTMASA-N 0 3 249.402 3.396 20 0 BGADHN Cc1c([C@@H](C)N[C@H]2CC2(C)C)cnn1C(C)(C)C ZINC000345286868 386091490 /nfs/dbraw/zinc/09/14/90/386091490.db2.gz DOXCXTBDEVVRSW-MFKMUULPSA-N 0 3 249.402 3.396 20 0 BGADHN Cc1c([C@@H](C)N[C@@H]2CC2(C)C)cnn1C(C)(C)C ZINC000345286869 386092189 /nfs/dbraw/zinc/09/21/89/386092189.db2.gz DOXCXTBDEVVRSW-ZWNOBZJWSA-N 0 3 249.402 3.396 20 0 BGADHN Cc1c([C@H](C)N[C@H]2CC2(C)C)cnn1C(C)C ZINC000345289972 386091810 /nfs/dbraw/zinc/09/18/10/386091810.db2.gz IYOYXLBJJHBHCR-GWCFXTLKSA-N 0 3 235.375 3.222 20 0 BGADHN Cc1c([C@H](C)N[C@@H]2CC2(C)C)cnn1C(C)C ZINC000345289973 386091119 /nfs/dbraw/zinc/09/11/19/386091119.db2.gz IYOYXLBJJHBHCR-GXFFZTMASA-N 0 3 235.375 3.222 20 0 BGADHN Cc1c([C@@H](C)N[C@H]2CC2(C)C)cnn1C(C)C ZINC000345289974 386091402 /nfs/dbraw/zinc/09/14/02/386091402.db2.gz IYOYXLBJJHBHCR-MFKMUULPSA-N 0 3 235.375 3.222 20 0 BGADHN Cc1c([C@@H](C)N[C@@H]2CC2(C)C)cnn1C(C)C ZINC000345289975 386090569 /nfs/dbraw/zinc/09/05/69/386090569.db2.gz IYOYXLBJJHBHCR-ZWNOBZJWSA-N 0 3 235.375 3.222 20 0 BGADHN CCCC1(CN[C@H]2C[C@@H](C)n3ccnc32)CC1 ZINC000345340303 168601816 /nfs/dbraw/zinc/60/18/16/168601816.db2.gz CFTLUDYGIRWZHM-NEPJUHHUSA-N 0 3 233.359 3.059 20 0 BGADHN CCCC1(CN[C@@H]2C[C@H](C)n3ccnc32)CC1 ZINC000345340304 388511370 /nfs/dbraw/zinc/51/13/70/388511370.db2.gz CFTLUDYGIRWZHM-NWDGAFQWSA-N 0 3 233.359 3.059 20 0 BGADHN CCCC1(CN[C@H]2C[C@H](C)n3ccnc32)CC1 ZINC000345340305 388511305 /nfs/dbraw/zinc/51/13/05/388511305.db2.gz CFTLUDYGIRWZHM-RYUDHWBXSA-N 0 3 233.359 3.059 20 0 BGADHN CCCC1(CN[C@@H]2C[C@@H](C)n3ccnc32)CC1 ZINC000345340306 388511086 /nfs/dbraw/zinc/51/10/86/388511086.db2.gz CFTLUDYGIRWZHM-VXGBXAGGSA-N 0 3 233.359 3.059 20 0 BGADHN C[C@@H]1CCC[C@@H](CCN[C@@H]2CCn3ccnc32)C1 ZINC000345343463 176117897 /nfs/dbraw/zinc/11/78/97/176117897.db2.gz HGZMYBJQHPZYOR-HZSPNIEDSA-N 0 3 247.386 3.134 20 0 BGADHN C[C@@H]1CCC[C@H](CCN[C@H]2CCn3ccnc32)C1 ZINC000345343467 176137994 /nfs/dbraw/zinc/13/79/94/176137994.db2.gz HGZMYBJQHPZYOR-MCIONIFRSA-N 0 3 247.386 3.134 20 0 BGADHN C[C@@H]1CCC[C@H](CCN[C@@H]2CCn3ccnc32)C1 ZINC000345343468 176137965 /nfs/dbraw/zinc/13/79/65/176137965.db2.gz HGZMYBJQHPZYOR-MGPQQGTHSA-N 0 3 247.386 3.134 20 0 BGADHN C[C@@H]1CCC[C@@H](CCN[C@H]2CCn3ccnc32)C1 ZINC000345343470 176117541 /nfs/dbraw/zinc/11/75/41/176117541.db2.gz HGZMYBJQHPZYOR-RDBSUJKOSA-N 0 3 247.386 3.134 20 0 BGADHN C[C@@H]1C[C@@H](NC[C@H]2CCCC[C@H]2C)c2nccn21 ZINC000345344282 176077618 /nfs/dbraw/zinc/07/76/18/176077618.db2.gz ARPSONDAJGGDFE-AAVRWANBSA-N 0 3 247.386 3.305 20 0 BGADHN C[C@H]1C[C@H](NC[C@H]2CCCC[C@H]2C)c2nccn21 ZINC000345344283 177370226 /nfs/dbraw/zinc/37/02/26/177370226.db2.gz ARPSONDAJGGDFE-RQJABVFESA-N 0 3 247.386 3.305 20 0 BGADHN C[C@@H]1C[C@H](NC[C@H]2CCCC[C@H]2C)c2nccn21 ZINC000345344284 176077643 /nfs/dbraw/zinc/07/76/43/176077643.db2.gz ARPSONDAJGGDFE-SYQHCUMBSA-N 0 3 247.386 3.305 20 0 BGADHN C[C@H]1C[C@@H](NC[C@H]2CCCC[C@H]2C)c2nccn21 ZINC000345344286 177332861 /nfs/dbraw/zinc/33/28/61/177332861.db2.gz ARPSONDAJGGDFE-XJFOESAGSA-N 0 3 247.386 3.305 20 0 BGADHN C[C@H]1C[C@@H](NCCCC2CCCC2)c2nccn21 ZINC000345345054 177331171 /nfs/dbraw/zinc/33/11/71/177331171.db2.gz BPALQQWBZXDPKL-GXTWGEPZSA-N 0 3 247.386 3.449 20 0 BGADHN C[C@H]1C[C@H](NCCCC2CCCC2)c2nccn21 ZINC000345345056 177368627 /nfs/dbraw/zinc/36/86/27/177368627.db2.gz BPALQQWBZXDPKL-JSGCOSHPSA-N 0 3 247.386 3.449 20 0 BGADHN C[C@@H]1C[C@H](NCCCC2CCCC2)c2nccn21 ZINC000345345058 388512802 /nfs/dbraw/zinc/51/28/02/388512802.db2.gz BPALQQWBZXDPKL-OCCSQVGLSA-N 0 3 247.386 3.449 20 0 BGADHN C[C@@H]1C[C@@H](NCCCC2CCCC2)c2nccn21 ZINC000345345059 176375465 /nfs/dbraw/zinc/37/54/65/176375465.db2.gz BPALQQWBZXDPKL-TZMCWYRMSA-N 0 3 247.386 3.449 20 0 BGADHN CC(C)C(C)(C)CN[C@H]1C[C@@H](C)n2ccnc21 ZINC000345345093 166742509 /nfs/dbraw/zinc/74/25/09/166742509.db2.gz BUBRYFRTUQDQKO-NEPJUHHUSA-N 0 3 235.375 3.161 20 0 BGADHN CC(C)C(C)(C)CN[C@@H]1C[C@H](C)n2ccnc21 ZINC000345345094 388512519 /nfs/dbraw/zinc/51/25/19/388512519.db2.gz BUBRYFRTUQDQKO-NWDGAFQWSA-N 0 3 235.375 3.161 20 0 BGADHN CC(C)C(C)(C)CN[C@H]1C[C@H](C)n2ccnc21 ZINC000345345096 388511780 /nfs/dbraw/zinc/51/17/80/388511780.db2.gz BUBRYFRTUQDQKO-RYUDHWBXSA-N 0 3 235.375 3.161 20 0 BGADHN CC(C)C(C)(C)CN[C@@H]1C[C@@H](C)n2ccnc21 ZINC000345345097 388511862 /nfs/dbraw/zinc/51/18/62/388511862.db2.gz BUBRYFRTUQDQKO-VXGBXAGGSA-N 0 3 235.375 3.161 20 0 BGADHN CCCC[C@@H](CCC)N[C@@H]1CCn2ccnc21 ZINC000345345495 133760120 /nfs/dbraw/zinc/76/01/20/133760120.db2.gz JFIVXBWUJYXDTA-CHWSQXEVSA-N 0 3 235.375 3.276 20 0 BGADHN CCCC[C@@H](CCC)N[C@H]1CCn2ccnc21 ZINC000345345498 365859180 /nfs/dbraw/zinc/85/91/80/365859180.db2.gz JFIVXBWUJYXDTA-OLZOCXBDSA-N 0 3 235.375 3.276 20 0 BGADHN CCCC[C@H](CCC)N[C@@H]1CCn2ccnc21 ZINC000345345503 365858475 /nfs/dbraw/zinc/85/84/75/365858475.db2.gz JFIVXBWUJYXDTA-QWHCGFSZSA-N 0 3 235.375 3.276 20 0 BGADHN CCCC[C@H](CCC)N[C@H]1CCn2ccnc21 ZINC000345345507 365859144 /nfs/dbraw/zinc/85/91/44/365859144.db2.gz JFIVXBWUJYXDTA-STQMWFEESA-N 0 3 235.375 3.276 20 0 BGADHN C[C@@H]1C[C@H](N[C@@H]2CCCC2(C)C)c2nccn21 ZINC000345345667 388512542 /nfs/dbraw/zinc/51/25/42/388512542.db2.gz JVDAYMZWXUTUCS-GRYCIOLGSA-N 0 3 233.359 3.057 20 0 BGADHN C[C@@H]1C[C@@H](N[C@@H]2CCCC2(C)C)c2nccn21 ZINC000345345670 176379417 /nfs/dbraw/zinc/37/94/17/176379417.db2.gz JVDAYMZWXUTUCS-IJLUTSLNSA-N 0 3 233.359 3.057 20 0 BGADHN C[C@@H]1C[C@@H](N[C@H]2CCCC2(C)C)c2nccn21 ZINC000345345672 176379232 /nfs/dbraw/zinc/37/92/32/176379232.db2.gz JVDAYMZWXUTUCS-UTUOFQBUSA-N 0 3 233.359 3.057 20 0 BGADHN C[C@@H]1C[C@H](N[C@H]2CCCC2(C)C)c2nccn21 ZINC000345345676 388511929 /nfs/dbraw/zinc/51/19/29/388511929.db2.gz JVDAYMZWXUTUCS-WOPDTQHZSA-N 0 3 233.359 3.057 20 0 BGADHN C[C@H]1C[C@@H](N[C@H]2CC[C@@H](C)[C@@H](C)C2)c2nccn21 ZINC000345346829 177333166 /nfs/dbraw/zinc/33/31/66/177333166.db2.gz CXYVHUMJDXVMIK-IKOXMDCHSA-N 0 3 247.386 3.303 20 0 BGADHN C[C@H]1C[C@@H](N[C@H]2CC[C@@H](C)[C@H](C)C2)c2nccn21 ZINC000345346830 177334816 /nfs/dbraw/zinc/33/48/16/177334816.db2.gz CXYVHUMJDXVMIK-PEBLQZBPSA-N 0 3 247.386 3.303 20 0 BGADHN C[C@@H]1C[C@@H](N[C@H]2CC[C@@H](C)[C@H](C)C2)c2nccn21 ZINC000345346831 176234624 /nfs/dbraw/zinc/23/46/24/176234624.db2.gz CXYVHUMJDXVMIK-XGFWRYKXSA-N 0 3 247.386 3.303 20 0 BGADHN C[C@@H]1C[C@@H](N[C@H]2CC[C@@H](C)[C@@H](C)C2)c2nccn21 ZINC000345346832 177333322 /nfs/dbraw/zinc/33/33/22/177333322.db2.gz CXYVHUMJDXVMIK-XHJNMGKDSA-N 0 3 247.386 3.303 20 0 BGADHN CCCC[C@@H](CC)CN[C@@H]1CCn2ccnc21 ZINC000345347528 365859175 /nfs/dbraw/zinc/85/91/75/365859175.db2.gz LGPRZVWXZDYZLT-CHWSQXEVSA-N 0 3 235.375 3.134 20 0 BGADHN CCCC[C@@H](CC)CN[C@H]1CCn2ccnc21 ZINC000345347531 365859113 /nfs/dbraw/zinc/85/91/13/365859113.db2.gz LGPRZVWXZDYZLT-OLZOCXBDSA-N 0 3 235.375 3.134 20 0 BGADHN CCCC[C@H](CC)CN[C@@H]1CCn2ccnc21 ZINC000345347534 365858508 /nfs/dbraw/zinc/85/85/08/365858508.db2.gz LGPRZVWXZDYZLT-QWHCGFSZSA-N 0 3 235.375 3.134 20 0 BGADHN CCCC[C@H](CC)CN[C@H]1CCn2ccnc21 ZINC000345347537 365858570 /nfs/dbraw/zinc/85/85/70/365858570.db2.gz LGPRZVWXZDYZLT-STQMWFEESA-N 0 3 235.375 3.134 20 0 BGADHN CC[C@@H]1CCC[C@H](N[C@H]2C[C@H](C)n3ccnc32)C1 ZINC000345347735 365858868 /nfs/dbraw/zinc/85/88/68/365858868.db2.gz FFCNSYPMMAZGRW-CRWXNKLISA-N 0 3 247.386 3.447 20 0 BGADHN CC[C@@H]1CCC[C@H](N[C@H]2C[C@@H](C)n3ccnc32)C1 ZINC000345347739 365858688 /nfs/dbraw/zinc/85/86/88/365858688.db2.gz FFCNSYPMMAZGRW-MQYQWHSLSA-N 0 3 247.386 3.447 20 0 BGADHN CC[C@@H]1CCC[C@H](N[C@@H]2C[C@H](C)n3ccnc32)C1 ZINC000345347742 365858256 /nfs/dbraw/zinc/85/82/56/365858256.db2.gz FFCNSYPMMAZGRW-RFQIPJPRSA-N 0 3 247.386 3.447 20 0 BGADHN CC[C@@H]1CCC[C@H](N[C@@H]2C[C@@H](C)n3ccnc32)C1 ZINC000345347746 365858753 /nfs/dbraw/zinc/85/87/53/365858753.db2.gz FFCNSYPMMAZGRW-YIYPIFLZSA-N 0 3 247.386 3.447 20 0 BGADHN C[C@@H]1C[C@@H](N[C@H]2CCCC[C@H]2C)c2nccn21 ZINC000345348471 176081478 /nfs/dbraw/zinc/08/14/78/176081478.db2.gz MFJSAJVHTKZYGK-FVCCEPFGSA-N 0 3 233.359 3.057 20 0 BGADHN C[C@H]1C[C@@H](N[C@H]2CCCC[C@H]2C)c2nccn21 ZINC000345348472 177335249 /nfs/dbraw/zinc/33/52/49/177335249.db2.gz MFJSAJVHTKZYGK-MROQNXINSA-N 0 3 233.359 3.057 20 0 BGADHN C[C@@H]1C[C@H](N[C@H]2CCCC[C@H]2C)c2nccn21 ZINC000345348474 176081511 /nfs/dbraw/zinc/08/15/11/176081511.db2.gz MFJSAJVHTKZYGK-NDBYEHHHSA-N 0 3 233.359 3.057 20 0 BGADHN C[C@H]1C[C@H](N[C@H]2CCCC[C@H]2C)c2nccn21 ZINC000345348475 177371166 /nfs/dbraw/zinc/37/11/66/177371166.db2.gz MFJSAJVHTKZYGK-VOAKCMCISA-N 0 3 233.359 3.057 20 0 BGADHN CC(C)CCC[C@@H](C)N[C@@H]1CCn2ccnc21 ZINC000345349634 383950698 /nfs/dbraw/zinc/95/06/98/383950698.db2.gz NNJKDXRFOGLCSD-CHWSQXEVSA-N 0 3 235.375 3.132 20 0 BGADHN CC(C)CCC[C@@H](C)N[C@H]1CCn2ccnc21 ZINC000345349636 383948837 /nfs/dbraw/zinc/94/88/37/383948837.db2.gz NNJKDXRFOGLCSD-OLZOCXBDSA-N 0 3 235.375 3.132 20 0 BGADHN CC(C)CCC[C@H](C)N[C@@H]1CCn2ccnc21 ZINC000345349637 383949487 /nfs/dbraw/zinc/94/94/87/383949487.db2.gz NNJKDXRFOGLCSD-QWHCGFSZSA-N 0 3 235.375 3.132 20 0 BGADHN CC(C)CCC[C@H](C)N[C@H]1CCn2ccnc21 ZINC000345349638 383950286 /nfs/dbraw/zinc/95/02/86/383950286.db2.gz NNJKDXRFOGLCSD-STQMWFEESA-N 0 3 235.375 3.132 20 0 BGADHN C[C@H]1C[C@@H](N[C@H]2CC[C@@H](C)C[C@@H]2C)c2nccn21 ZINC000345351692 177356870 /nfs/dbraw/zinc/35/68/70/177356870.db2.gz ILQYVJGSYQBIOU-IKOXMDCHSA-N 0 3 247.386 3.303 20 0 BGADHN C[C@H]1C[C@@H](N[C@H]2CC[C@@H](C)C[C@H]2C)c2nccn21 ZINC000345351694 177335091 /nfs/dbraw/zinc/33/50/91/177335091.db2.gz ILQYVJGSYQBIOU-PEBLQZBPSA-N 0 3 247.386 3.303 20 0 BGADHN C[C@@H]1C[C@@H](N[C@H]2CC[C@@H](C)C[C@H]2C)c2nccn21 ZINC000345351695 176234056 /nfs/dbraw/zinc/23/40/56/176234056.db2.gz ILQYVJGSYQBIOU-XGFWRYKXSA-N 0 3 247.386 3.303 20 0 BGADHN C[C@@H]1C[C@@H](N[C@H]2CC[C@@H](C)C[C@@H]2C)c2nccn21 ZINC000345351696 177356736 /nfs/dbraw/zinc/35/67/36/177356736.db2.gz ILQYVJGSYQBIOU-XHJNMGKDSA-N 0 3 247.386 3.303 20 0 BGADHN C[C@@H]1C[C@H](N[C@@H]2CC3CCC2CC3)c2nccn21 ZINC000345351699 388512388 /nfs/dbraw/zinc/51/23/88/388512388.db2.gz IOAOEDPFASGRMJ-DQRRXLOISA-N 0 3 245.370 3.057 20 0 BGADHN C[C@@H]1C[C@H](N[C@H]2CC3CCC2CC3)c2nccn21 ZINC000345351702 388512143 /nfs/dbraw/zinc/51/21/43/388512143.db2.gz IOAOEDPFASGRMJ-JKZOPUQSSA-N 0 3 245.370 3.057 20 0 BGADHN C[C@@H]1C[C@@H](N[C@@H]2CC3CCC2CC3)c2nccn21 ZINC000345351703 176378831 /nfs/dbraw/zinc/37/88/31/176378831.db2.gz IOAOEDPFASGRMJ-MGBPRESASA-N 0 3 245.370 3.057 20 0 BGADHN C[C@@H]1C[C@@H](N[C@H]2CC3CCC2CC3)c2nccn21 ZINC000345351705 176378656 /nfs/dbraw/zinc/37/86/56/176378656.db2.gz IOAOEDPFASGRMJ-UUFIZFKYSA-N 0 3 245.370 3.057 20 0 BGADHN C[C@H]1C[C@H](NCCC2CCCC2)c2nccn21 ZINC000345351928 388511856 /nfs/dbraw/zinc/51/18/56/388511856.db2.gz OXBWBHRHHWTQTC-AAEUAGOBSA-N 0 3 233.359 3.059 20 0 BGADHN C[C@@H]1C[C@@H](NCCC2CCCC2)c2nccn21 ZINC000345351929 388512683 /nfs/dbraw/zinc/51/26/83/388512683.db2.gz OXBWBHRHHWTQTC-DGCLKSJQSA-N 0 3 233.359 3.059 20 0 BGADHN C[C@H]1C[C@@H](NCCC2CCCC2)c2nccn21 ZINC000345351930 388511842 /nfs/dbraw/zinc/51/18/42/388511842.db2.gz OXBWBHRHHWTQTC-WCQYABFASA-N 0 3 233.359 3.059 20 0 BGADHN C[C@@H]1C[C@H](NCCC2CCCC2)c2nccn21 ZINC000345351931 135471099 /nfs/dbraw/zinc/47/10/99/135471099.db2.gz OXBWBHRHHWTQTC-YPMHNXCESA-N 0 3 233.359 3.059 20 0 BGADHN C[C@H](N[C@H]1C[C@@H](C)n2ccnc21)C1CCCCC1 ZINC000345352437 388512406 /nfs/dbraw/zinc/51/24/06/388512406.db2.gz JLQNLMIGRGUJCC-DYEKYZERSA-N 0 3 247.386 3.447 20 0 BGADHN C[C@H](N[C@@H]1C[C@@H](C)n2ccnc21)C1CCCCC1 ZINC000345352441 388512047 /nfs/dbraw/zinc/51/20/47/388512047.db2.gz JLQNLMIGRGUJCC-MBNYWOFBSA-N 0 3 247.386 3.447 20 0 BGADHN C[C@H](N[C@H]1C[C@H](C)n2ccnc21)C1CCCCC1 ZINC000345352442 388511922 /nfs/dbraw/zinc/51/19/22/388511922.db2.gz JLQNLMIGRGUJCC-OBJOEFQTSA-N 0 3 247.386 3.447 20 0 BGADHN C[C@H](N[C@@H]1C[C@H](C)n2ccnc21)C1CCCCC1 ZINC000345352445 388512162 /nfs/dbraw/zinc/51/21/62/388512162.db2.gz JLQNLMIGRGUJCC-SGMGOOAPSA-N 0 3 247.386 3.447 20 0 BGADHN CCCC[C@H](C)N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000345352548 168990982 /nfs/dbraw/zinc/99/09/82/168990982.db2.gz JSADUEHINOTSLD-QJPTWQEYSA-N 0 3 221.348 3.057 20 0 BGADHN CCCC[C@H](C)N[C@@H]1C[C@H](C)n2ccnc21 ZINC000345352550 365860067 /nfs/dbraw/zinc/86/00/67/365860067.db2.gz JSADUEHINOTSLD-SDDRHHMPSA-N 0 3 221.348 3.057 20 0 BGADHN CCCC[C@H](C)N[C@H]1C[C@H](C)n2ccnc21 ZINC000345352552 365858453 /nfs/dbraw/zinc/85/84/53/365858453.db2.gz JSADUEHINOTSLD-SRVKXCTJSA-N 0 3 221.348 3.057 20 0 BGADHN CCCC[C@H](C)N[C@H]1C[C@@H](C)n2ccnc21 ZINC000345352554 168992503 /nfs/dbraw/zinc/99/25/03/168992503.db2.gz JSADUEHINOTSLD-TUAOUCFPSA-N 0 3 221.348 3.057 20 0 BGADHN C[C@@H]1C[C@@H](NCC2C(C)(C)C2(C)C)c2nccn21 ZINC000345352717 176374939 /nfs/dbraw/zinc/37/49/39/176374939.db2.gz JZKMMXQKOXIRCM-GHMZBOCLSA-N 0 3 247.386 3.161 20 0 BGADHN C[C@@H]1C[C@H](NCC2C(C)(C)C2(C)C)c2nccn21 ZINC000345352720 388512671 /nfs/dbraw/zinc/51/26/71/388512671.db2.gz JZKMMXQKOXIRCM-MNOVXSKESA-N 0 3 247.386 3.161 20 0 BGADHN C[C@H]1C[C@H](NCC2C(C)(C)C2(C)C)c2nccn21 ZINC000345352723 177368898 /nfs/dbraw/zinc/36/88/98/177368898.db2.gz JZKMMXQKOXIRCM-QWRGUYRKSA-N 0 3 247.386 3.161 20 0 BGADHN C[C@H]1C[C@@H](NCC2C(C)(C)C2(C)C)c2nccn21 ZINC000345352727 177330332 /nfs/dbraw/zinc/33/03/32/177330332.db2.gz JZKMMXQKOXIRCM-WDEREUQCSA-N 0 3 247.386 3.161 20 0 BGADHN C[C@@H]1C[C@@H](N[C@H]2CCC(C)(C)C2)c2nccn21 ZINC000345353270 176379216 /nfs/dbraw/zinc/37/92/16/176379216.db2.gz QKTHEKJSXWUESN-GRYCIOLGSA-N 0 3 233.359 3.057 20 0 BGADHN C[C@@H]1C[C@@H](N[C@@H]2CCC(C)(C)C2)c2nccn21 ZINC000345353271 176378988 /nfs/dbraw/zinc/37/89/88/176378988.db2.gz QKTHEKJSXWUESN-IJLUTSLNSA-N 0 3 233.359 3.057 20 0 BGADHN CCC1(CN[C@@H]2C[C@@H](C)n3ccnc32)CCCC1 ZINC000345353314 383949138 /nfs/dbraw/zinc/94/91/38/383949138.db2.gz KBSWDDZXTTVIDQ-CHWSQXEVSA-N 0 3 247.386 3.449 20 0 BGADHN CCC1(CN[C@H]2C[C@@H](C)n3ccnc32)CCCC1 ZINC000345353315 383948486 /nfs/dbraw/zinc/94/84/86/383948486.db2.gz KBSWDDZXTTVIDQ-OLZOCXBDSA-N 0 3 247.386 3.449 20 0 BGADHN CCC1(CN[C@@H]2C[C@H](C)n3ccnc32)CCCC1 ZINC000345353316 168481650 /nfs/dbraw/zinc/48/16/50/168481650.db2.gz KBSWDDZXTTVIDQ-QWHCGFSZSA-N 0 3 247.386 3.449 20 0 BGADHN CCC1(CN[C@H]2C[C@H](C)n3ccnc32)CCCC1 ZINC000345353318 383949323 /nfs/dbraw/zinc/94/93/23/383949323.db2.gz KBSWDDZXTTVIDQ-STQMWFEESA-N 0 3 247.386 3.449 20 0 BGADHN C[C@H]1C[C@@H](NCCC2CCCCC2)c2nccn21 ZINC000345353450 177331105 /nfs/dbraw/zinc/33/11/05/177331105.db2.gz KPWZJGYYFSMKTD-GXTWGEPZSA-N 0 3 247.386 3.449 20 0 BGADHN C[C@H]1C[C@H](NCCC2CCCCC2)c2nccn21 ZINC000345353451 177369751 /nfs/dbraw/zinc/36/97/51/177369751.db2.gz KPWZJGYYFSMKTD-JSGCOSHPSA-N 0 3 247.386 3.449 20 0 BGADHN C[C@@H]1C[C@H](NCCC2CCCCC2)c2nccn21 ZINC000345353452 383954242 /nfs/dbraw/zinc/95/42/42/383954242.db2.gz KPWZJGYYFSMKTD-OCCSQVGLSA-N 0 3 247.386 3.449 20 0 BGADHN C[C@@H]1C[C@@H](NCCC2CCCCC2)c2nccn21 ZINC000345353453 176375803 /nfs/dbraw/zinc/37/58/03/176375803.db2.gz KPWZJGYYFSMKTD-TZMCWYRMSA-N 0 3 247.386 3.449 20 0 BGADHN C[C@@H]1C[C@H](N[C@@H]2CCC(C)(C)C2)c2nccn21 ZINC000345353817 383954170 /nfs/dbraw/zinc/95/41/70/383954170.db2.gz QKTHEKJSXWUESN-UTUOFQBUSA-N 0 3 233.359 3.057 20 0 BGADHN C[C@@H]1C[C@H](N[C@H]2CCC(C)(C)C2)c2nccn21 ZINC000345353818 383953453 /nfs/dbraw/zinc/95/34/53/383953453.db2.gz QKTHEKJSXWUESN-WOPDTQHZSA-N 0 3 233.359 3.057 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1N[C@H]1C[C@H](C)n2ccnc21 ZINC000345354483 365860440 /nfs/dbraw/zinc/86/04/40/365860440.db2.gz LNBMJHQAFMLJOZ-CRWXNKLISA-N 0 3 247.386 3.447 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1N[C@H]1C[C@@H](C)n2ccnc21 ZINC000345354484 365861029 /nfs/dbraw/zinc/86/10/29/365861029.db2.gz LNBMJHQAFMLJOZ-MQYQWHSLSA-N 0 3 247.386 3.447 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@H](C)n2ccnc21 ZINC000345354485 365860239 /nfs/dbraw/zinc/86/02/39/365860239.db2.gz LNBMJHQAFMLJOZ-RFQIPJPRSA-N 0 3 247.386 3.447 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000345354486 365860965 /nfs/dbraw/zinc/86/09/65/365860965.db2.gz LNBMJHQAFMLJOZ-YIYPIFLZSA-N 0 3 247.386 3.447 20 0 BGADHN C[C@@H]1C[C@H](N[C@H]2CCCC(C)(C)C2)c2nccn21 ZINC000345354494 388513413 /nfs/dbraw/zinc/51/34/13/388513413.db2.gz LPBRJQSXFZZUBH-AGIUHOORSA-N 0 3 247.386 3.447 20 0 BGADHN C[C@@H]1C[C@@H](N[C@H]2CCCC(C)(C)C2)c2nccn21 ZINC000345354495 388513756 /nfs/dbraw/zinc/51/37/56/388513756.db2.gz LPBRJQSXFZZUBH-FRRDWIJNSA-N 0 3 247.386 3.447 20 0 BGADHN C[C@@H]1C[C@@H](N[C@@H]2CCCC(C)(C)C2)c2nccn21 ZINC000345354496 388513915 /nfs/dbraw/zinc/51/39/15/388513915.db2.gz LPBRJQSXFZZUBH-JHJVBQTASA-N 0 3 247.386 3.447 20 0 BGADHN C[C@@H]1C[C@H](N[C@@H]2CCCC(C)(C)C2)c2nccn21 ZINC000345354497 388513586 /nfs/dbraw/zinc/51/35/86/388513586.db2.gz LPBRJQSXFZZUBH-UPJWGTAASA-N 0 3 247.386 3.447 20 0 BGADHN C[C@@H]1C[C@H](N[C@H]2CCC[C@@H](C)CC2)c2nccn21 ZINC000345355531 176145238 /nfs/dbraw/zinc/14/52/38/176145238.db2.gz MMDGAADHRKZUHJ-MQYQWHSLSA-N 0 3 247.386 3.447 20 0 BGADHN C[C@H]1C[C@H](N[C@H]2CCC[C@@H](C)CC2)c2nccn21 ZINC000345355532 177372102 /nfs/dbraw/zinc/37/21/02/177372102.db2.gz MMDGAADHRKZUHJ-RFGFWPKPSA-N 0 3 247.386 3.447 20 0 BGADHN C[C@@H]1C[C@@H](N[C@H]2CCC[C@@H](C)CC2)c2nccn21 ZINC000345355533 176145467 /nfs/dbraw/zinc/14/54/67/176145467.db2.gz MMDGAADHRKZUHJ-YIYPIFLZSA-N 0 3 247.386 3.447 20 0 BGADHN C[C@H]1C[C@@H](N[C@H]2CCC[C@@H](C)CC2)c2nccn21 ZINC000345355534 177334839 /nfs/dbraw/zinc/33/48/39/177334839.db2.gz MMDGAADHRKZUHJ-ZOBORPQBSA-N 0 3 247.386 3.447 20 0 BGADHN C[C@@H]1C[C@@H](N[C@H]2CCC[C@@H](C)C2)c2nccn21 ZINC000345356285 176145523 /nfs/dbraw/zinc/14/55/23/176145523.db2.gz UMESFKFPZCHZKP-FVCCEPFGSA-N 0 3 233.359 3.057 20 0 BGADHN C[C@H]1C[C@@H](N[C@H]2CCC[C@@H](C)C2)c2nccn21 ZINC000345356286 177334688 /nfs/dbraw/zinc/33/46/88/177334688.db2.gz UMESFKFPZCHZKP-MROQNXINSA-N 0 3 233.359 3.057 20 0 BGADHN C[C@@H]1C[C@H](N[C@H]2CCC[C@@H](C)C2)c2nccn21 ZINC000345356288 176145047 /nfs/dbraw/zinc/14/50/47/176145047.db2.gz UMESFKFPZCHZKP-NDBYEHHHSA-N 0 3 233.359 3.057 20 0 BGADHN C[C@H]1C[C@H](N[C@H]2CCC[C@@H](C)C2)c2nccn21 ZINC000345356289 177371195 /nfs/dbraw/zinc/37/11/95/177371195.db2.gz UMESFKFPZCHZKP-VOAKCMCISA-N 0 3 233.359 3.057 20 0 BGADHN C[C@H](N[C@@H]1C[C@H](C)n2ccnc21)C1CCCC1 ZINC000345357225 388513039 /nfs/dbraw/zinc/51/30/39/388513039.db2.gz VRMGHQWOGDPZAN-GMXVVIOVSA-N 0 3 233.359 3.057 20 0 BGADHN C[C@H](N[C@H]1C[C@H](C)n2ccnc21)C1CCCC1 ZINC000345357228 176930173 /nfs/dbraw/zinc/93/01/73/176930173.db2.gz VRMGHQWOGDPZAN-GVXVVHGQSA-N 0 3 233.359 3.057 20 0 BGADHN C[C@H](N[C@H]1C[C@@H](C)n2ccnc21)C1CCCC1 ZINC000345357231 388513407 /nfs/dbraw/zinc/51/34/07/388513407.db2.gz VRMGHQWOGDPZAN-MDZLAQPJSA-N 0 3 233.359 3.057 20 0 BGADHN C[C@H](N[C@@H]1C[C@@H](C)n2ccnc21)C1CCCC1 ZINC000345357234 388514169 /nfs/dbraw/zinc/51/41/69/388514169.db2.gz VRMGHQWOGDPZAN-NTZNESFSSA-N 0 3 233.359 3.057 20 0 BGADHN CCC1(CN[C@H]2C[C@@H](C)n3ccnc32)CCC1 ZINC000345358155 388513499 /nfs/dbraw/zinc/51/34/99/388513499.db2.gz VYMGGVUJGJLTRA-NEPJUHHUSA-N 0 3 233.359 3.059 20 0 BGADHN CCC1(CN[C@@H]2C[C@H](C)n3ccnc32)CCC1 ZINC000345358156 388513847 /nfs/dbraw/zinc/51/38/47/388513847.db2.gz VYMGGVUJGJLTRA-NWDGAFQWSA-N 0 3 233.359 3.059 20 0 BGADHN CCC1(CN[C@H]2C[C@H](C)n3ccnc32)CCC1 ZINC000345358157 388514179 /nfs/dbraw/zinc/51/41/79/388514179.db2.gz VYMGGVUJGJLTRA-RYUDHWBXSA-N 0 3 233.359 3.059 20 0 BGADHN CCC1(CN[C@@H]2C[C@@H](C)n3ccnc32)CCC1 ZINC000345358158 388513280 /nfs/dbraw/zinc/51/32/80/388513280.db2.gz VYMGGVUJGJLTRA-VXGBXAGGSA-N 0 3 233.359 3.059 20 0 BGADHN CCCC1CCC(N[C@@H]2CCn3ccnc32)CC1 ZINC000345358188 383962936 /nfs/dbraw/zinc/96/29/36/383962936.db2.gz WFXFCVIIXADMJT-JXQTWKCFSA-N 0 3 247.386 3.276 20 0 BGADHN CCCC1CCC(N[C@H]2CCn3ccnc32)CC1 ZINC000345358189 383956515 /nfs/dbraw/zinc/95/65/15/383956515.db2.gz WFXFCVIIXADMJT-RUXDESIVSA-N 0 3 247.386 3.276 20 0 BGADHN C[C@H]1C[C@@H](N[C@H]2CCC[C@@H](C)[C@@H]2C)c2nccn21 ZINC000345358415 388514020 /nfs/dbraw/zinc/51/40/20/388514020.db2.gz QESIBQYEFZADDA-IKOXMDCHSA-N 0 3 247.386 3.303 20 0 BGADHN C[C@@H]1C[C@@H](N[C@H]2CCC[C@@H](C)[C@@H]2C)c2nccn21 ZINC000345358417 388513867 /nfs/dbraw/zinc/51/38/67/388513867.db2.gz QESIBQYEFZADDA-PEBLQZBPSA-N 0 3 247.386 3.303 20 0 BGADHN C[C@@H]1C[C@@H](N[C@H]2CCC[C@@H](C)[C@H]2C)c2nccn21 ZINC000345358419 176144993 /nfs/dbraw/zinc/14/49/93/176144993.db2.gz QESIBQYEFZADDA-XGFWRYKXSA-N 0 3 247.386 3.303 20 0 BGADHN C[C@H]1C[C@@H](N[C@H]2CCC[C@@H](C)[C@H]2C)c2nccn21 ZINC000345358420 177334965 /nfs/dbraw/zinc/33/49/65/177334965.db2.gz QESIBQYEFZADDA-XHJNMGKDSA-N 0 3 247.386 3.303 20 0 BGADHN CCC1CCC(CN[C@@H]2CCn3ccnc32)CC1 ZINC000345359862 383960543 /nfs/dbraw/zinc/96/05/43/383960543.db2.gz YORBXKKJRBVWLD-JXQTWKCFSA-N 0 3 247.386 3.134 20 0 BGADHN CCC1CCC(CN[C@H]2CCn3ccnc32)CC1 ZINC000345359864 383958190 /nfs/dbraw/zinc/95/81/90/383958190.db2.gz YORBXKKJRBVWLD-RUXDESIVSA-N 0 3 247.386 3.134 20 0 BGADHN CC[C@H](C)C[C@H](C)N[C@H]1C[C@H](C)n2ccnc21 ZINC000345360240 171298759 /nfs/dbraw/zinc/29/87/59/171298759.db2.gz SIEZZXYFVPGKJW-CYDGBPFRSA-N 0 3 235.375 3.303 20 0 BGADHN CC[C@H](C)C[C@H](C)N[C@H]1C[C@@H](C)n2ccnc21 ZINC000345360241 171298422 /nfs/dbraw/zinc/29/84/22/171298422.db2.gz SIEZZXYFVPGKJW-RVMXOQNASA-N 0 3 235.375 3.303 20 0 BGADHN CC[C@H](C)C[C@H](C)N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000345360243 171298476 /nfs/dbraw/zinc/29/84/76/171298476.db2.gz SIEZZXYFVPGKJW-WUHRBBMRSA-N 0 3 235.375 3.303 20 0 BGADHN CC[C@H](C)C[C@H](C)N[C@@H]1C[C@H](C)n2ccnc21 ZINC000345360244 171298486 /nfs/dbraw/zinc/29/84/86/171298486.db2.gz SIEZZXYFVPGKJW-ZDEQEGDKSA-N 0 3 235.375 3.303 20 0 BGADHN CC(C)CC[C@H](C)N[C@H]1C[C@H](C)n2ccnc21 ZINC000345360795 365863550 /nfs/dbraw/zinc/86/35/50/365863550.db2.gz UAMLKJKKMNSIIN-AVGNSLFASA-N 0 3 235.375 3.303 20 0 BGADHN CC(C)CC[C@H](C)N[C@@H]1C[C@H](C)n2ccnc21 ZINC000345360796 365864153 /nfs/dbraw/zinc/86/41/53/365864153.db2.gz UAMLKJKKMNSIIN-RWMBFGLXSA-N 0 3 235.375 3.303 20 0 BGADHN CC(C)CC[C@H](C)N[C@H]1C[C@@H](C)n2ccnc21 ZINC000345360797 365864088 /nfs/dbraw/zinc/86/40/88/365864088.db2.gz UAMLKJKKMNSIIN-XQQFMLRXSA-N 0 3 235.375 3.303 20 0 BGADHN CC(C)CC[C@H](C)N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000345360798 365863816 /nfs/dbraw/zinc/86/38/16/365863816.db2.gz UAMLKJKKMNSIIN-YNEHKIRRSA-N 0 3 235.375 3.303 20 0 BGADHN C[C@@H]1C[C@H](N[C@H]2CCCCC2(C)C)c2nccn21 ZINC000345362039 388514198 /nfs/dbraw/zinc/51/41/98/388514198.db2.gz VBWLHBYVWODXLG-AGIUHOORSA-N 0 3 247.386 3.447 20 0 BGADHN C[C@@H]1C[C@H](N[C@@H]2CCCCC2(C)C)c2nccn21 ZINC000345362045 388513244 /nfs/dbraw/zinc/51/32/44/388513244.db2.gz VBWLHBYVWODXLG-FRRDWIJNSA-N 0 3 247.386 3.447 20 0 BGADHN C[C@@H]1C[C@@H](N[C@@H]2CCCCC2(C)C)c2nccn21 ZINC000345362046 176378889 /nfs/dbraw/zinc/37/88/89/176378889.db2.gz VBWLHBYVWODXLG-JHJVBQTASA-N 0 3 247.386 3.447 20 0 BGADHN C[C@@H]1C[C@@H](N[C@H]2CCCCC2(C)C)c2nccn21 ZINC000345362049 176379582 /nfs/dbraw/zinc/37/95/82/176379582.db2.gz VBWLHBYVWODXLG-UPJWGTAASA-N 0 3 247.386 3.447 20 0 BGADHN C[C@H]1C[C@H](NCCC(C)(C)C2CC2)c2nccn21 ZINC000345364540 177368621 /nfs/dbraw/zinc/36/86/21/177368621.db2.gz XBNKJLDKFKEPLY-AAEUAGOBSA-N 0 3 247.386 3.305 20 0 BGADHN C[C@@H]1C[C@@H](NCCC(C)(C)C2CC2)c2nccn21 ZINC000345364541 176375013 /nfs/dbraw/zinc/37/50/13/176375013.db2.gz XBNKJLDKFKEPLY-DGCLKSJQSA-N 0 3 247.386 3.305 20 0 BGADHN C[C@H]1C[C@@H](NCCC(C)(C)C2CC2)c2nccn21 ZINC000345364542 177330418 /nfs/dbraw/zinc/33/04/18/177330418.db2.gz XBNKJLDKFKEPLY-WCQYABFASA-N 0 3 247.386 3.305 20 0 BGADHN C[C@@H]1C[C@H](NCCC(C)(C)C2CC2)c2nccn21 ZINC000345364543 383976292 /nfs/dbraw/zinc/97/62/92/383976292.db2.gz XBNKJLDKFKEPLY-YPMHNXCESA-N 0 3 247.386 3.305 20 0 BGADHN CCC[C@H](CC)N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000345365452 365865388 /nfs/dbraw/zinc/86/53/88/365865388.db2.gz YDHKMPUOTMQGLE-GRYCIOLGSA-N 0 3 221.348 3.057 20 0 BGADHN CCC[C@H](CC)N[C@@H]1C[C@H](C)n2ccnc21 ZINC000345365456 365865081 /nfs/dbraw/zinc/86/50/81/365865081.db2.gz YDHKMPUOTMQGLE-SDDRHHMPSA-N 0 3 221.348 3.057 20 0 BGADHN CCC[C@H](CC)N[C@H]1C[C@H](C)n2ccnc21 ZINC000345365459 388513955 /nfs/dbraw/zinc/51/39/55/388513955.db2.gz YDHKMPUOTMQGLE-SRVKXCTJSA-N 0 3 221.348 3.057 20 0 BGADHN CCC[C@H](CC)N[C@H]1C[C@@H](C)n2ccnc21 ZINC000345365462 388514209 /nfs/dbraw/zinc/51/42/09/388514209.db2.gz YDHKMPUOTMQGLE-WOPDTQHZSA-N 0 3 221.348 3.057 20 0 BGADHN C[C@@H]1C[C@H](N[C@H]2C[C@H](C)C[C@H](C)C2)c2nccn21 ZINC000345365523 177318879 /nfs/dbraw/zinc/31/88/79/177318879.db2.gz YIXYGZRZHVTYKW-BJJPWKGXSA-N 0 3 247.386 3.303 20 0 BGADHN C[C@H]1C[C@@H](N[C@H]2C[C@H](C)C[C@H](C)C2)c2nccn21 ZINC000345365525 177317851 /nfs/dbraw/zinc/31/78/51/177317851.db2.gz YIXYGZRZHVTYKW-MEBFFEOJSA-N 0 3 247.386 3.303 20 0 BGADHN C[C@H]1C[C@H](N[C@H]2C[C@H](C)C[C@H](C)C2)c2nccn21 ZINC000345365526 177318858 /nfs/dbraw/zinc/31/88/58/177318858.db2.gz YIXYGZRZHVTYKW-VJTDZRGJSA-N 0 3 247.386 3.303 20 0 BGADHN C[C@@H]1C[C@@H](N[C@H]2C[C@H](C)C[C@H](C)C2)c2nccn21 ZINC000345365528 177318360 /nfs/dbraw/zinc/31/83/60/177318360.db2.gz YIXYGZRZHVTYKW-XHJNMGKDSA-N 0 3 247.386 3.303 20 0 BGADHN C[C@@H]1C[C@H](NC[C@H]2CCC[C@@H](C)C2)c2nccn21 ZINC000345366361 388514058 /nfs/dbraw/zinc/51/40/58/388514058.db2.gz ZSJMOIQGQOYUFU-MQYQWHSLSA-N 0 3 247.386 3.305 20 0 BGADHN C[C@H]1C[C@H](NC[C@H]2CCC[C@@H](C)C2)c2nccn21 ZINC000345366363 388513051 /nfs/dbraw/zinc/51/30/51/388513051.db2.gz ZSJMOIQGQOYUFU-RFGFWPKPSA-N 0 3 247.386 3.305 20 0 BGADHN C[C@@H]1C[C@@H](NC[C@H]2CCC[C@@H](C)C2)c2nccn21 ZINC000345366365 135470832 /nfs/dbraw/zinc/47/08/32/135470832.db2.gz ZSJMOIQGQOYUFU-YIYPIFLZSA-N 0 3 247.386 3.305 20 0 BGADHN C[C@H]1C[C@@H](NC[C@H]2CCC[C@@H](C)C2)c2nccn21 ZINC000345366367 388514008 /nfs/dbraw/zinc/51/40/08/388514008.db2.gz ZSJMOIQGQOYUFU-ZOBORPQBSA-N 0 3 247.386 3.305 20 0 BGADHN CCN(Cc1cc(F)ccc1OC)C(C)C ZINC000345373378 354656081 /nfs/dbraw/zinc/65/60/81/354656081.db2.gz GBJBPRAGODGNAR-UHFFFAOYSA-N 0 3 225.307 3.065 20 0 BGADHN CCN(Cc1cc(F)ccc1OC)CC(C)C ZINC000345379032 354645729 /nfs/dbraw/zinc/64/57/29/354645729.db2.gz LTYKRNPVLYTFRW-UHFFFAOYSA-N 0 3 239.334 3.312 20 0 BGADHN Cc1cccc(F)c1NC(=O)C(C)C(F)(F)F ZINC000345383774 354647202 /nfs/dbraw/zinc/64/72/02/354647202.db2.gz ZTYPTOACOPBTTJ-SSDOTTSWSA-N 0 3 249.207 3.271 20 0 BGADHN Cc1cccc(F)c1NC(=O)C(C)C(F)(F)F ZINC000345383776 354647043 /nfs/dbraw/zinc/64/70/43/354647043.db2.gz ZTYPTOACOPBTTJ-ZETCQYMHSA-N 0 3 249.207 3.271 20 0 BGADHN CCCN(CC)Cc1cc(F)ccc1OC ZINC000345397662 354649177 /nfs/dbraw/zinc/64/91/77/354649177.db2.gz WWPGPNDHAJTSFM-UHFFFAOYSA-N 0 3 225.307 3.066 20 0 BGADHN CC[C@@H](C(=O)Nc1ccc(C)cc1)N(CC)CC ZINC000345585068 354706317 /nfs/dbraw/zinc/70/63/17/354706317.db2.gz IWSLYYCJJULMQV-AWEZNQCLSA-N 0 3 248.370 3.054 20 0 BGADHN CC[C@H](C(=O)Nc1ccc(C)cc1)N(CC)CC ZINC000345585069 354706504 /nfs/dbraw/zinc/70/65/04/354706504.db2.gz IWSLYYCJJULMQV-CQSZACIVSA-N 0 3 248.370 3.054 20 0 BGADHN CC[C@@H](C(=O)Nc1cccc(C)c1)N(CC)CC ZINC000345612681 354714933 /nfs/dbraw/zinc/71/49/33/354714933.db2.gz RVEHXHWHXRUYCH-AWEZNQCLSA-N 0 3 248.370 3.054 20 0 BGADHN CC[C@H](C(=O)Nc1cccc(C)c1)N(CC)CC ZINC000345612682 354714647 /nfs/dbraw/zinc/71/46/47/354714647.db2.gz RVEHXHWHXRUYCH-CQSZACIVSA-N 0 3 248.370 3.054 20 0 BGADHN C[C@@H]1Cc2ccccc2CN1CCOC(C)(C)C ZINC000345702299 354753581 /nfs/dbraw/zinc/75/35/81/354753581.db2.gz AJLJGGKGOQZRAV-CYBMUJFWSA-N 0 3 247.382 3.248 20 0 BGADHN C[C@H]1Cc2ccccc2CN1CCOC(C)(C)C ZINC000345702304 354753690 /nfs/dbraw/zinc/75/36/90/354753690.db2.gz AJLJGGKGOQZRAV-ZDUSSCGKSA-N 0 3 247.382 3.248 20 0 BGADHN CN(Cc1ccc(F)cn1)CC1CCCCC1 ZINC000345724181 354744510 /nfs/dbraw/zinc/74/45/10/354744510.db2.gz POEAKVYYOXGZKO-UHFFFAOYSA-N 0 3 236.334 3.233 20 0 BGADHN COC(C)(C)CCN(C)Cc1ccc(F)cc1 ZINC000345771089 354757373 /nfs/dbraw/zinc/75/73/73/354757373.db2.gz MQFJHLVAHCQYBU-UHFFFAOYSA-N 0 3 239.334 3.073 20 0 BGADHN CCC(CC)CN(CC)Cc1ccc(F)cn1 ZINC000345777057 354760843 /nfs/dbraw/zinc/76/08/43/354760843.db2.gz SXFUMNKXAIJLDC-UHFFFAOYSA-N 0 3 238.350 3.479 20 0 BGADHN COC(C)(C)CCN(C)Cc1cccc(F)c1 ZINC000345777059 354761005 /nfs/dbraw/zinc/76/10/05/354761005.db2.gz SXULRHCZJCSMBS-UHFFFAOYSA-N 0 3 239.334 3.073 20 0 BGADHN CCOc1cccc(CN[C@H](C)CCC2CC2)n1 ZINC000345802038 354774916 /nfs/dbraw/zinc/77/49/16/354774916.db2.gz VRDPUSLYAHRMDV-GFCCVEGCSA-N 0 3 248.370 3.149 20 0 BGADHN CCOc1cccc(CN[C@@H](C)CCC2CC2)n1 ZINC000345802042 354774955 /nfs/dbraw/zinc/77/49/55/354774955.db2.gz VRDPUSLYAHRMDV-LBPRGKRZSA-N 0 3 248.370 3.149 20 0 BGADHN COc1cc(C)nc(CN[C@H](C)CCC2CC2)c1 ZINC000345802081 323890924 /nfs/dbraw/zinc/89/09/24/323890924.db2.gz VXKGDPIXBDWZET-LLVKDONJSA-N 0 3 248.370 3.067 20 0 BGADHN COc1cc(C)nc(CN[C@@H](C)CCC2CC2)c1 ZINC000345802083 385122675 /nfs/dbraw/zinc/12/26/75/385122675.db2.gz VXKGDPIXBDWZET-NSHDSACASA-N 0 3 248.370 3.067 20 0 BGADHN COCc1ccc(CN[C@H](C)CCC2CC2)o1 ZINC000345812818 365919345 /nfs/dbraw/zinc/91/93/45/365919345.db2.gz GWBWCKLYCYCPMK-LLVKDONJSA-N 0 3 237.343 3.094 20 0 BGADHN COCc1ccc(CN[C@@H](C)CCC2CC2)o1 ZINC000345812820 536779092 /nfs/dbraw/zinc/77/90/92/536779092.db2.gz GWBWCKLYCYCPMK-NSHDSACASA-N 0 3 237.343 3.094 20 0 BGADHN COC(C)(C)CCN(C)Cc1ccccc1F ZINC000345850750 386127689 /nfs/dbraw/zinc/12/76/89/386127689.db2.gz JFKMQYCHBQADEF-UHFFFAOYSA-N 0 3 239.334 3.073 20 0 BGADHN CC(C)CN1CC[C@@H](c2c(F)cccc2F)C1 ZINC000346030620 354829837 /nfs/dbraw/zinc/82/98/37/354829837.db2.gz LPHNPWPPYZQPEH-LLVKDONJSA-N 0 3 239.309 3.410 20 0 BGADHN CC(C)CN1CC[C@H](c2c(F)cccc2F)C1 ZINC000346030621 354830340 /nfs/dbraw/zinc/83/03/40/354830340.db2.gz LPHNPWPPYZQPEH-NSHDSACASA-N 0 3 239.309 3.410 20 0 BGADHN CC(C)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000346038440 354841036 /nfs/dbraw/zinc/84/10/36/354841036.db2.gz KEMPOERCXMQWMD-JTQLQIEISA-N 0 3 225.282 3.163 20 0 BGADHN CC(C)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000346038441 354840615 /nfs/dbraw/zinc/84/06/15/354840615.db2.gz KEMPOERCXMQWMD-SNVBAGLBSA-N 0 3 225.282 3.163 20 0 BGADHN CC[C@H](N[C@@H]1CCC(C)(C)C1)c1nccn1C ZINC000346132162 386164332 /nfs/dbraw/zinc/16/43/32/386164332.db2.gz ORFIFQWTZAXULD-NEPJUHHUSA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@@H](N[C@H]1CCC(C)(C)C1)c1nccn1C ZINC000346132165 354870097 /nfs/dbraw/zinc/87/00/97/354870097.db2.gz ORFIFQWTZAXULD-NWDGAFQWSA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@H](N[C@H]1CCC(C)(C)C1)c1nccn1C ZINC000346132166 386163212 /nfs/dbraw/zinc/16/32/12/386163212.db2.gz ORFIFQWTZAXULD-RYUDHWBXSA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@@H](N[C@@H]1CCC(C)(C)C1)c1nccn1C ZINC000346132168 354870085 /nfs/dbraw/zinc/87/00/85/354870085.db2.gz ORFIFQWTZAXULD-VXGBXAGGSA-N 0 3 235.375 3.040 20 0 BGADHN CCc1cnc(CN2CCC[C@@H]2C(C)C)s1 ZINC000346142208 354870942 /nfs/dbraw/zinc/87/09/42/354870942.db2.gz ACXUKJUWNZXLGF-GFCCVEGCSA-N 0 3 238.400 3.326 20 0 BGADHN CCc1cnc(CN2CCC[C@H]2C(C)C)s1 ZINC000346142214 171910957 /nfs/dbraw/zinc/91/09/57/171910957.db2.gz ACXUKJUWNZXLGF-LBPRGKRZSA-N 0 3 238.400 3.326 20 0 BGADHN CCc1cnc(CN2CCCCC[C@H]2C)s1 ZINC000346172290 354868174 /nfs/dbraw/zinc/86/81/74/354868174.db2.gz OJAQUCQVEJFJMH-LLVKDONJSA-N 0 3 238.400 3.470 20 0 BGADHN CCc1cnc(CN2CCCCC[C@@H]2C)s1 ZINC000346172292 354868491 /nfs/dbraw/zinc/86/84/91/354868491.db2.gz OJAQUCQVEJFJMH-NSHDSACASA-N 0 3 238.400 3.470 20 0 BGADHN CCc1cnc(CN2C[C@@H](C)CC2(C)C)s1 ZINC000346175248 354868437 /nfs/dbraw/zinc/86/84/37/354868437.db2.gz QQTNUCZKSOHTEZ-JTQLQIEISA-N 0 3 238.400 3.326 20 0 BGADHN CCc1cnc(CN2C[C@H](C)CC2(C)C)s1 ZINC000346175249 354868131 /nfs/dbraw/zinc/86/81/31/354868131.db2.gz QQTNUCZKSOHTEZ-SNVBAGLBSA-N 0 3 238.400 3.326 20 0 BGADHN CCCN(Cc1ncc(CC)s1)CC1CC1 ZINC000346178412 169181629 /nfs/dbraw/zinc/18/16/29/169181629.db2.gz PNIOXKRWBGXJAV-UHFFFAOYSA-N 0 3 238.400 3.328 20 0 BGADHN CCC(C)(C)CCN[C@H](CCO)c1ccco1 ZINC000346190667 168278510 /nfs/dbraw/zinc/27/85/10/168278510.db2.gz VNZPPOVELYEMGI-GFCCVEGCSA-N 0 3 239.359 3.119 20 0 BGADHN CCC(C)(C)CCN[C@@H](CCO)c1ccco1 ZINC000346190669 168275656 /nfs/dbraw/zinc/27/56/56/168275656.db2.gz VNZPPOVELYEMGI-LBPRGKRZSA-N 0 3 239.359 3.119 20 0 BGADHN CC(C)C[C@@H]1CCCN1Cc1ccc(F)cn1 ZINC000346214242 187363405 /nfs/dbraw/zinc/36/34/05/187363405.db2.gz FOUIFDVCLZXJIF-AWEZNQCLSA-N 0 3 236.334 3.231 20 0 BGADHN CC(C)C[C@H]1CCCN1Cc1ccc(F)cn1 ZINC000346214245 386186884 /nfs/dbraw/zinc/18/68/84/386186884.db2.gz FOUIFDVCLZXJIF-CQSZACIVSA-N 0 3 236.334 3.231 20 0 BGADHN CCOCCN(CC)Cc1cccc(CC)c1 ZINC000346237493 170396477 /nfs/dbraw/zinc/39/64/77/170396477.db2.gz IHVRAQWQMJLDPC-UHFFFAOYSA-N 0 3 235.371 3.107 20 0 BGADHN CC(C)(C)C1CCN(CCOCC(F)F)CC1 ZINC000346238406 386179262 /nfs/dbraw/zinc/17/92/62/386179262.db2.gz DSDOCDFVERTDPZ-UHFFFAOYSA-N 0 3 249.345 3.026 20 0 BGADHN CCc1cccc(CN(CC)C[C@@H]2CCCO2)c1 ZINC000346244293 386192173 /nfs/dbraw/zinc/19/21/73/386192173.db2.gz RGILDSMNIPQUMK-INIZCTEOSA-N 0 3 247.382 3.250 20 0 BGADHN CCc1cccc(CN(CC)C[C@H]2CCCO2)c1 ZINC000346244294 386191604 /nfs/dbraw/zinc/19/16/04/386191604.db2.gz RGILDSMNIPQUMK-MRXNPFEDSA-N 0 3 247.382 3.250 20 0 BGADHN CCc1cccc(CN2CCSC[C@H]2C)c1 ZINC000346256114 354881532 /nfs/dbraw/zinc/88/15/32/354881532.db2.gz XIUZVNBZTLHLEE-GFCCVEGCSA-N 0 3 235.396 3.186 20 0 BGADHN CCc1cccc(CN2CCSC[C@@H]2C)c1 ZINC000346256116 354881405 /nfs/dbraw/zinc/88/14/05/354881405.db2.gz XIUZVNBZTLHLEE-LBPRGKRZSA-N 0 3 235.396 3.186 20 0 BGADHN CC[C@@H]1CCCN(Cc2ccc(F)cn2)CC1 ZINC000346263054 354883789 /nfs/dbraw/zinc/88/37/89/354883789.db2.gz PEWRWCLNXKESEW-GFCCVEGCSA-N 0 3 236.334 3.233 20 0 BGADHN CC[C@H]1CCCN(Cc2ccc(F)cn2)CC1 ZINC000346263055 354884102 /nfs/dbraw/zinc/88/41/02/354884102.db2.gz PEWRWCLNXKESEW-LBPRGKRZSA-N 0 3 236.334 3.233 20 0 BGADHN CC[C@H]1CCCCCN1Cc1ccc(F)cn1 ZINC000346267122 354885493 /nfs/dbraw/zinc/88/54/93/354885493.db2.gz BTLABTKMUCONKB-AWEZNQCLSA-N 0 3 236.334 3.375 20 0 BGADHN CC[C@@H]1CCCCCN1Cc1ccc(F)cn1 ZINC000346267123 354885899 /nfs/dbraw/zinc/88/58/99/354885899.db2.gz BTLABTKMUCONKB-CQSZACIVSA-N 0 3 236.334 3.375 20 0 BGADHN C[C@@H]1CCC[C@H](C)N(Cc2ccc(F)cn2)C1 ZINC000346283923 177114834 /nfs/dbraw/zinc/11/48/34/177114834.db2.gz SSGNZTCKRYBWKL-NEPJUHHUSA-N 0 3 236.334 3.231 20 0 BGADHN C[C@@H]1CCC[C@H](C)CN1Cc1ccc(F)cn1 ZINC000346283928 177114534 /nfs/dbraw/zinc/11/45/34/177114534.db2.gz SSGNZTCKRYBWKL-NWDGAFQWSA-N 0 3 236.334 3.231 20 0 BGADHN C[C@H]1CCC[C@H](C)N(Cc2ccc(F)cn2)C1 ZINC000346283932 177130508 /nfs/dbraw/zinc/13/05/08/177130508.db2.gz SSGNZTCKRYBWKL-RYUDHWBXSA-N 0 3 236.334 3.231 20 0 BGADHN C[C@@H]1CCC[C@@H](C)N(Cc2ccc(F)cn2)C1 ZINC000346283934 176114293 /nfs/dbraw/zinc/11/42/93/176114293.db2.gz SSGNZTCKRYBWKL-VXGBXAGGSA-N 0 3 236.334 3.231 20 0 BGADHN CCCN(CC)Cc1cccc(F)c1F ZINC000346293923 169128873 /nfs/dbraw/zinc/12/88/73/169128873.db2.gz JUZAVLMESCPNRJ-UHFFFAOYSA-N 0 3 213.271 3.197 20 0 BGADHN CC(C)=CCN(Cc1ccco1)C(C)C ZINC000346293968 386192259 /nfs/dbraw/zinc/19/22/59/386192259.db2.gz KAPTXYYPXOIDLP-UHFFFAOYSA-N 0 3 207.317 3.456 20 0 BGADHN CC(C)N(CCc1ccncc1)Cc1ccco1 ZINC000346308747 354892138 /nfs/dbraw/zinc/89/21/38/354892138.db2.gz XDLMTOPKAROMIP-UHFFFAOYSA-N 0 3 244.338 3.128 20 0 BGADHN CCCn1cc(CN2C[C@H](C)CC(C)(C)C2)cn1 ZINC000346318685 354895167 /nfs/dbraw/zinc/89/51/67/354895167.db2.gz BRYBFPHPKSIIHO-CYBMUJFWSA-N 0 3 249.402 3.161 20 0 BGADHN CCCn1cc(CN2C[C@@H](C)CC(C)(C)C2)cn1 ZINC000346319445 354894938 /nfs/dbraw/zinc/89/49/38/354894938.db2.gz BRYBFPHPKSIIHO-ZDUSSCGKSA-N 0 3 249.402 3.161 20 0 BGADHN CCCN(CC)Cc1ccccc1OCC ZINC000346319930 354896167 /nfs/dbraw/zinc/89/61/67/354896167.db2.gz SKVLTCVSSIGOHE-UHFFFAOYSA-N 0 3 221.344 3.317 20 0 BGADHN CC(C)n1cc(CN(C)C[C@H]2CC=CCC2)cn1 ZINC000346320184 354895395 /nfs/dbraw/zinc/89/53/95/354895395.db2.gz FMDXVDUKZOZRBJ-AWEZNQCLSA-N 0 3 247.386 3.252 20 0 BGADHN CC(C)n1cc(CN(C)C[C@@H]2CC=CCC2)cn1 ZINC000346320185 354895855 /nfs/dbraw/zinc/89/58/55/354895855.db2.gz FMDXVDUKZOZRBJ-CQSZACIVSA-N 0 3 247.386 3.252 20 0 BGADHN C[C@@H]1CN(Cc2cncs2)CC(C)(C)C1 ZINC000346321495 354895548 /nfs/dbraw/zinc/89/55/48/354895548.db2.gz GQDIKEWZYUKELM-JTQLQIEISA-N 0 3 224.373 3.011 20 0 BGADHN C[C@H]1CN(Cc2cncs2)CC(C)(C)C1 ZINC000346321498 354896150 /nfs/dbraw/zinc/89/61/50/354896150.db2.gz GQDIKEWZYUKELM-SNVBAGLBSA-N 0 3 224.373 3.011 20 0 BGADHN Cc1ncsc1CN1C[C@@H](C)CC(C)(C)C1 ZINC000346325408 354897672 /nfs/dbraw/zinc/89/76/72/354897672.db2.gz HHVCMUYDBXGBBU-JTQLQIEISA-N 0 3 238.400 3.320 20 0 BGADHN Cc1ncsc1CN1C[C@H](C)CC(C)(C)C1 ZINC000346325410 354897410 /nfs/dbraw/zinc/89/74/10/354897410.db2.gz HHVCMUYDBXGBBU-SNVBAGLBSA-N 0 3 238.400 3.320 20 0 BGADHN CCCn1cc(CN(C)C[C@H]2CC=CCC2)cn1 ZINC000346326261 354897306 /nfs/dbraw/zinc/89/73/06/354897306.db2.gz KHWHKMYHVWPLAZ-AWEZNQCLSA-N 0 3 247.386 3.081 20 0 BGADHN CCCn1cc(CN(C)C[C@@H]2CC=CCC2)cn1 ZINC000346326263 354897454 /nfs/dbraw/zinc/89/74/54/354897454.db2.gz KHWHKMYHVWPLAZ-CQSZACIVSA-N 0 3 247.386 3.081 20 0 BGADHN C[C@H]1CN(Cc2ccco2)CC(C)(C)C1 ZINC000346329032 354898315 /nfs/dbraw/zinc/89/83/15/354898315.db2.gz JFEPOYJQBKCQGV-LLVKDONJSA-N 0 3 207.317 3.148 20 0 BGADHN C[C@@H]1CN(Cc2ccco2)CC(C)(C)C1 ZINC000346329034 354898343 /nfs/dbraw/zinc/89/83/43/354898343.db2.gz JFEPOYJQBKCQGV-NSHDSACASA-N 0 3 207.317 3.148 20 0 BGADHN C[C@H]1C[N@@H+](Cc2cccc([O-])c2)CC(C)(C)C1 ZINC000346334865 354899305 /nfs/dbraw/zinc/89/93/05/354899305.db2.gz OJYIDVDPUKNSQE-GFCCVEGCSA-N 0 3 233.355 3.260 20 0 BGADHN C[C@H]1C[N@H+](Cc2cccc([O-])c2)CC(C)(C)C1 ZINC000346334865 354899302 /nfs/dbraw/zinc/89/93/02/354899302.db2.gz OJYIDVDPUKNSQE-GFCCVEGCSA-N 0 3 233.355 3.260 20 0 BGADHN C[C@@H]1C[N@@H+](Cc2cccc([O-])c2)CC(C)(C)C1 ZINC000346334867 354899070 /nfs/dbraw/zinc/89/90/70/354899070.db2.gz OJYIDVDPUKNSQE-LBPRGKRZSA-N 0 3 233.355 3.260 20 0 BGADHN C[C@@H]1C[N@H+](Cc2cccc([O-])c2)CC(C)(C)C1 ZINC000346334867 354899067 /nfs/dbraw/zinc/89/90/67/354899067.db2.gz OJYIDVDPUKNSQE-LBPRGKRZSA-N 0 3 233.355 3.260 20 0 BGADHN CC(C)n1cc(CN2C[C@H](C)CC(C)(C)C2)cn1 ZINC000346335848 354899788 /nfs/dbraw/zinc/89/97/88/354899788.db2.gz OYTTZWJXBGXPIY-CYBMUJFWSA-N 0 3 249.402 3.332 20 0 BGADHN CC(C)n1cc(CN2C[C@@H](C)CC(C)(C)C2)cn1 ZINC000346335851 354899773 /nfs/dbraw/zinc/89/97/73/354899773.db2.gz OYTTZWJXBGXPIY-ZDUSSCGKSA-N 0 3 249.402 3.332 20 0 BGADHN CCCN(CC)Cc1cc(C)ccc1OC ZINC000346336331 354900318 /nfs/dbraw/zinc/90/03/18/354900318.db2.gz NAEYIHGNUCEUMZ-UHFFFAOYSA-N 0 3 221.344 3.236 20 0 BGADHN COCc1ccc(CN(C)C[C@@H]2CC=CCC2)o1 ZINC000346336553 354900044 /nfs/dbraw/zinc/90/00/44/354900044.db2.gz RTPNZZREXJKAPJ-CYBMUJFWSA-N 0 3 249.354 3.214 20 0 BGADHN COCc1ccc(CN(C)C[C@H]2CC=CCC2)o1 ZINC000346336555 536764935 /nfs/dbraw/zinc/76/49/35/536764935.db2.gz RTPNZZREXJKAPJ-ZDUSSCGKSA-N 0 3 249.354 3.214 20 0 BGADHN Cc1ccc(CN2C[C@H](C)CC(C)(C)C2)o1 ZINC000346336901 354899958 /nfs/dbraw/zinc/89/99/58/354899958.db2.gz PZSJWTQUQIBLEY-LLVKDONJSA-N 0 3 221.344 3.456 20 0 BGADHN Cc1ccc(CN2C[C@@H](C)CC(C)(C)C2)o1 ZINC000346336902 354900216 /nfs/dbraw/zinc/90/02/16/354900216.db2.gz PZSJWTQUQIBLEY-NSHDSACASA-N 0 3 221.344 3.456 20 0 BGADHN CCCN(CC)Cc1nc2ccccc2o1 ZINC000346343709 354901326 /nfs/dbraw/zinc/90/13/26/354901326.db2.gz FVFROTLVZFHQPI-UHFFFAOYSA-N 0 3 218.300 3.060 20 0 BGADHN Cc1ccoc1CN(C)C[C@@H]1CC=CCC1 ZINC000346347533 354887695 /nfs/dbraw/zinc/88/76/95/354887695.db2.gz YDPIBVJALAHUSO-CYBMUJFWSA-N 0 3 219.328 3.376 20 0 BGADHN Cc1ccoc1CN(C)C[C@H]1CC=CCC1 ZINC000346347535 354887801 /nfs/dbraw/zinc/88/78/01/354887801.db2.gz YDPIBVJALAHUSO-ZDUSSCGKSA-N 0 3 219.328 3.376 20 0 BGADHN CCCN(CC)Cc1cc(F)ccc1F ZINC000346361207 354918048 /nfs/dbraw/zinc/91/80/48/354918048.db2.gz ZPUKKFFIWWFCSA-UHFFFAOYSA-N 0 3 213.271 3.197 20 0 BGADHN CN(CCc1ccccc1O)Cc1cccs1 ZINC000346368968 354920080 /nfs/dbraw/zinc/92/00/80/354920080.db2.gz JOHIQFVHTDJODC-UHFFFAOYSA-N 0 3 247.363 3.128 20 0 BGADHN CC(C)n1cc(CN2CC[C@H](C(C)(C)C)C2)cn1 ZINC000346375576 354903694 /nfs/dbraw/zinc/90/36/94/354903694.db2.gz ZCRNNAWJTIFAJQ-AWEZNQCLSA-N 0 3 249.402 3.332 20 0 BGADHN CC(C)n1cc(CN2CC[C@@H](C(C)(C)C)C2)cn1 ZINC000346375579 354903748 /nfs/dbraw/zinc/90/37/48/354903748.db2.gz ZCRNNAWJTIFAJQ-CQSZACIVSA-N 0 3 249.402 3.332 20 0 BGADHN CCCN(CC)Cc1cnn(-c2ccccc2)c1 ZINC000346378541 354904739 /nfs/dbraw/zinc/90/47/39/354904739.db2.gz LBTWKQYRXXASPX-UHFFFAOYSA-N 0 3 243.354 3.104 20 0 BGADHN CN(CCc1ccccc1O)Cc1ccsc1 ZINC000346394373 354909649 /nfs/dbraw/zinc/90/96/49/354909649.db2.gz RPLNPIXVKLXLIS-UHFFFAOYSA-N 0 3 247.363 3.128 20 0 BGADHN Cc1ccc(CCN(C)C[C@@H]2CCCCO2)cc1 ZINC000346421270 354923900 /nfs/dbraw/zinc/92/39/00/354923900.db2.gz HMASABXTPAWCQK-INIZCTEOSA-N 0 3 247.382 3.038 20 0 BGADHN Cc1ccc(CCN(C)C[C@H]2CCCCO2)cc1 ZINC000346421271 354923941 /nfs/dbraw/zinc/92/39/41/354923941.db2.gz HMASABXTPAWCQK-MRXNPFEDSA-N 0 3 247.382 3.038 20 0 BGADHN Cc1ccc(CCN(C)Cc2ccoc2)cc1 ZINC000346435773 354934270 /nfs/dbraw/zinc/93/42/70/354934270.db2.gz VTOXTPMERATFCT-UHFFFAOYSA-N 0 3 229.323 3.263 20 0 BGADHN CCC1CCN(Cc2cccc(C)n2)CC1 ZINC000346435947 354934499 /nfs/dbraw/zinc/93/44/99/354934499.db2.gz WHGCLFWXLICDEI-UHFFFAOYSA-N 0 3 218.344 3.012 20 0 BGADHN CC[C@@H]1CCCN(Cc2cccc(C)n2)C1 ZINC000346437968 354936230 /nfs/dbraw/zinc/93/62/30/354936230.db2.gz GPVSEFGASVIOTA-CYBMUJFWSA-N 0 3 218.344 3.012 20 0 BGADHN CC[C@H]1CCCN(Cc2cccc(C)n2)C1 ZINC000346437984 354935977 /nfs/dbraw/zinc/93/59/77/354935977.db2.gz GPVSEFGASVIOTA-ZDUSSCGKSA-N 0 3 218.344 3.012 20 0 BGADHN Cc1cccc(CN(C)CCc2ccccc2)n1 ZINC000346439459 354937472 /nfs/dbraw/zinc/93/74/72/354937472.db2.gz PTJZSZQXAMMIHV-UHFFFAOYSA-N 0 3 240.350 3.065 20 0 BGADHN CCc1cccc(CN2CCC23CCC3)c1 ZINC000346440650 354937157 /nfs/dbraw/zinc/93/71/57/354937157.db2.gz UXUPJMJNKIZNPG-UHFFFAOYSA-N 0 3 215.340 3.377 20 0 BGADHN C(CC1CCCC1)CN1CCOC2(CCC2)C1 ZINC000346454214 354947461 /nfs/dbraw/zinc/94/74/61/354947461.db2.gz LTNKATHYVCWGBX-UHFFFAOYSA-N 0 3 237.387 3.212 20 0 BGADHN Cc1cccc(C)c1CN1CCOC2(CCC2)C1 ZINC000346464794 354953570 /nfs/dbraw/zinc/95/35/70/354953570.db2.gz VCBXCKNOYYKIGM-UHFFFAOYSA-N 0 3 245.366 3.058 20 0 BGADHN CCOc1ncccc1CN[C@@H]1CCC(C)(C)C1 ZINC000346470139 354955364 /nfs/dbraw/zinc/95/53/64/354955364.db2.gz WIWMISZJWXQUEK-CYBMUJFWSA-N 0 3 248.370 3.149 20 0 BGADHN CCOc1ncccc1CN[C@H]1CCC(C)(C)C1 ZINC000346470141 135934291 /nfs/dbraw/zinc/93/42/91/135934291.db2.gz WIWMISZJWXQUEK-ZDUSSCGKSA-N 0 3 248.370 3.149 20 0 BGADHN CCC(C)(C)CCN1CCOC2(CCC2)C1 ZINC000346471044 354955109 /nfs/dbraw/zinc/95/51/09/354955109.db2.gz AHMMJRADIYUWLT-UHFFFAOYSA-N 0 3 225.376 3.068 20 0 BGADHN CCc1cccc(CN(C)CCOCC2CC2)c1 ZINC000346479193 354957023 /nfs/dbraw/zinc/95/70/23/354957023.db2.gz GLZOXMQWRGGSQQ-UHFFFAOYSA-N 0 3 247.382 3.107 20 0 BGADHN CCC1(CC)CCCN(Cc2ccn(C)n2)CC1 ZINC000346485025 354957665 /nfs/dbraw/zinc/95/76/65/354957665.db2.gz JWJPQHLWPWNFEW-UHFFFAOYSA-N 0 3 249.402 3.212 20 0 BGADHN CC(C)C1(C)CCN(CCOCC(F)F)CC1 ZINC000346518684 354974103 /nfs/dbraw/zinc/97/41/03/354974103.db2.gz GHYNKPXKXCAIOK-UHFFFAOYSA-N 0 3 249.345 3.026 20 0 BGADHN C[C@@H](CCC1CC1)N[C@H]1COc2ccc(F)cc21 ZINC000346531811 354978624 /nfs/dbraw/zinc/97/86/24/354978624.db2.gz FBOVWMHOHHCATA-HZMBPMFUSA-N 0 3 249.329 3.428 20 0 BGADHN C[C@@H](CCC1CC1)N[C@@H]1COc2ccc(F)cc21 ZINC000346531813 354978307 /nfs/dbraw/zinc/97/83/07/354978307.db2.gz FBOVWMHOHHCATA-IINYFYTJSA-N 0 3 249.329 3.428 20 0 BGADHN C[C@H](CCC1CC1)N[C@@H]1COc2ccc(F)cc21 ZINC000346531815 354978639 /nfs/dbraw/zinc/97/86/39/354978639.db2.gz FBOVWMHOHHCATA-QMTHXVAHSA-N 0 3 249.329 3.428 20 0 BGADHN C[C@H](CCC1CC1)N[C@H]1COc2ccc(F)cc21 ZINC000346531817 354978209 /nfs/dbraw/zinc/97/82/09/354978209.db2.gz FBOVWMHOHHCATA-YGRLFVJLSA-N 0 3 249.329 3.428 20 0 BGADHN C[C@@H](NCc1ccc(F)cn1)C1CCCCC1 ZINC000346534698 354979159 /nfs/dbraw/zinc/97/91/59/354979159.db2.gz HZQCLJJQLWUENM-LLVKDONJSA-N 0 3 236.334 3.279 20 0 BGADHN C[C@H](NCc1ccc(F)cn1)C1CCCCC1 ZINC000346534700 354979162 /nfs/dbraw/zinc/97/91/62/354979162.db2.gz HZQCLJJQLWUENM-NSHDSACASA-N 0 3 236.334 3.279 20 0 BGADHN CC(C)Cn1ccnc1CN[C@@H]1CCC(C)(C)C1 ZINC000346548844 354983477 /nfs/dbraw/zinc/98/34/77/354983477.db2.gz CRSFVQAVOOVPLM-CYBMUJFWSA-N 0 3 249.402 3.207 20 0 BGADHN CC(C)Cn1ccnc1CN[C@H]1CCC(C)(C)C1 ZINC000346548845 354983935 /nfs/dbraw/zinc/98/39/35/354983935.db2.gz CRSFVQAVOOVPLM-ZDUSSCGKSA-N 0 3 249.402 3.207 20 0 BGADHN C[C@H]1CN(Cc2ccc(F)cn2)CC(C)(C)C1 ZINC000346550024 354983885 /nfs/dbraw/zinc/98/38/85/354983885.db2.gz JYSWQOWALWKWQY-LLVKDONJSA-N 0 3 236.334 3.089 20 0 BGADHN C[C@@H]1CN(Cc2ccc(F)cn2)CC(C)(C)C1 ZINC000346551030 354983815 /nfs/dbraw/zinc/98/38/15/354983815.db2.gz JYSWQOWALWKWQY-NSHDSACASA-N 0 3 236.334 3.089 20 0 BGADHN CC1(C)C[C@@H]1N[C@H]1CSCCc2ccccc21 ZINC000346558944 354968687 /nfs/dbraw/zinc/96/86/87/354968687.db2.gz GASNEDNJYDWYCO-KBPBESRZSA-N 0 3 247.407 3.405 20 0 BGADHN CC1(C)C[C@@H]1N[C@@H]1CSCCc2ccccc21 ZINC000346558945 354968266 /nfs/dbraw/zinc/96/82/66/354968266.db2.gz GASNEDNJYDWYCO-KGLIPLIRSA-N 0 3 247.407 3.405 20 0 BGADHN CC1(C)C[C@H]1N[C@H]1CSCCc2ccccc21 ZINC000346558946 354968301 /nfs/dbraw/zinc/96/83/01/354968301.db2.gz GASNEDNJYDWYCO-UONOGXRCSA-N 0 3 247.407 3.405 20 0 BGADHN CC1(C)C[C@H]1N[C@@H]1CSCCc2ccccc21 ZINC000346558947 354968222 /nfs/dbraw/zinc/96/82/22/354968222.db2.gz GASNEDNJYDWYCO-ZIAGYGMSSA-N 0 3 247.407 3.405 20 0 BGADHN CC1(C)CN(CCOCC(F)F)CC(C)(C)C1 ZINC000346561347 354969336 /nfs/dbraw/zinc/96/93/36/354969336.db2.gz KPKCCLBGZSHIIS-UHFFFAOYSA-N 0 3 249.345 3.026 20 0 BGADHN CC1(C)C[C@H]1N[C@H]1CCCOc2ccc(F)cc21 ZINC000346561489 354969634 /nfs/dbraw/zinc/96/96/34/354969634.db2.gz ALODXVNKEJWRHM-GXTWGEPZSA-N 0 3 249.329 3.428 20 0 BGADHN CC1(C)C[C@@H]1N[C@H]1CCCOc2ccc(F)cc21 ZINC000346561492 354969313 /nfs/dbraw/zinc/96/93/13/354969313.db2.gz ALODXVNKEJWRHM-JSGCOSHPSA-N 0 3 249.329 3.428 20 0 BGADHN CC1(C)C[C@@H]1N[C@@H]1CCCOc2ccc(F)cc21 ZINC000346561496 354969674 /nfs/dbraw/zinc/96/96/74/354969674.db2.gz ALODXVNKEJWRHM-OCCSQVGLSA-N 0 3 249.329 3.428 20 0 BGADHN CC1(C)C[C@H]1N[C@@H]1CCCOc2ccc(F)cc21 ZINC000346561498 534932110 /nfs/dbraw/zinc/93/21/10/534932110.db2.gz ALODXVNKEJWRHM-TZMCWYRMSA-N 0 3 249.329 3.428 20 0 BGADHN CC1(C)C[C@@H]1N[C@@H]1CCc2c1c(F)ccc2F ZINC000346563011 354969598 /nfs/dbraw/zinc/96/95/98/354969598.db2.gz BTMBFVGHZBOOCH-NEPJUHHUSA-N 0 3 237.293 3.340 20 0 BGADHN CC1(C)C[C@H]1N[C@H]1CCc2c1c(F)ccc2F ZINC000346563016 354969591 /nfs/dbraw/zinc/96/95/91/354969591.db2.gz BTMBFVGHZBOOCH-NWDGAFQWSA-N 0 3 237.293 3.340 20 0 BGADHN CC1(C)C[C@@H]1N[C@H]1CCc2c1c(F)ccc2F ZINC000346563019 354969472 /nfs/dbraw/zinc/96/94/72/354969472.db2.gz BTMBFVGHZBOOCH-RYUDHWBXSA-N 0 3 237.293 3.340 20 0 BGADHN CC1(C)C[C@H]1N[C@@H]1CCc2c1c(F)ccc2F ZINC000346563023 354969408 /nfs/dbraw/zinc/96/94/08/354969408.db2.gz BTMBFVGHZBOOCH-VXGBXAGGSA-N 0 3 237.293 3.340 20 0 BGADHN C[C@@H](N[C@@H]1CC1(C)C)c1ccccc1N(C)C ZINC000346577882 354999145 /nfs/dbraw/zinc/99/91/45/354999145.db2.gz RQFGLYLMFVQUDE-BXUZGUMPSA-N 0 3 232.371 3.202 20 0 BGADHN C[C@H](N[C@H]1CC1(C)C)c1ccccc1N(C)C ZINC000346577883 354999286 /nfs/dbraw/zinc/99/92/86/354999286.db2.gz RQFGLYLMFVQUDE-FZMZJTMJSA-N 0 3 232.371 3.202 20 0 BGADHN C[C@@H](N[C@H]1CC1(C)C)c1ccccc1N(C)C ZINC000346577884 354999405 /nfs/dbraw/zinc/99/94/05/354999405.db2.gz RQFGLYLMFVQUDE-RISCZKNCSA-N 0 3 232.371 3.202 20 0 BGADHN C[C@H](N[C@@H]1CC1(C)C)c1ccccc1N(C)C ZINC000346577885 354999241 /nfs/dbraw/zinc/99/92/41/354999241.db2.gz RQFGLYLMFVQUDE-SMDDNHRTSA-N 0 3 232.371 3.202 20 0 BGADHN CC[C@H](N[C@@H](C)CCC1CC1)c1ccn(C)n1 ZINC000346579077 354999823 /nfs/dbraw/zinc/99/98/23/354999823.db2.gz AWQZTGLMYJUAGW-AAEUAGOBSA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@@H](N[C@H](C)CCC1CC1)c1ccn(C)n1 ZINC000346579079 355000116 /nfs/dbraw/zinc/00/01/16/355000116.db2.gz AWQZTGLMYJUAGW-DGCLKSJQSA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@@H](N[C@@H](C)CCC1CC1)c1ccn(C)n1 ZINC000346579081 355000238 /nfs/dbraw/zinc/00/02/38/355000238.db2.gz AWQZTGLMYJUAGW-WCQYABFASA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@H](N[C@H](C)CCC1CC1)c1ccn(C)n1 ZINC000346579083 135944382 /nfs/dbraw/zinc/94/43/82/135944382.db2.gz AWQZTGLMYJUAGW-YPMHNXCESA-N 0 3 235.375 3.040 20 0 BGADHN CCC1(CC)CCN(CCOCC(F)F)CC1 ZINC000346581920 355000563 /nfs/dbraw/zinc/00/05/63/355000563.db2.gz VKAGEONFYRPXED-UHFFFAOYSA-N 0 3 249.345 3.170 20 0 BGADHN C[C@@H](CCC1CC1)NCc1cn2ccsc2n1 ZINC000346583334 388521017 /nfs/dbraw/zinc/52/10/17/388521017.db2.gz VZIGYRFYZXYLQW-JTQLQIEISA-N 0 3 249.383 3.064 20 0 BGADHN C[C@H](CCC1CC1)NCc1cn2ccsc2n1 ZINC000346583335 388520708 /nfs/dbraw/zinc/52/07/08/388520708.db2.gz VZIGYRFYZXYLQW-SNVBAGLBSA-N 0 3 249.383 3.064 20 0 BGADHN CC1(C)C[C@H]1N[C@H]1CCCOc2ccccc21 ZINC000346585338 355001275 /nfs/dbraw/zinc/00/12/75/355001275.db2.gz ZBRCRYVLQMKORY-GXTWGEPZSA-N 0 3 231.339 3.288 20 0 BGADHN CC1(C)C[C@@H]1N[C@H]1CCCOc2ccccc21 ZINC000346585341 355001398 /nfs/dbraw/zinc/00/13/98/355001398.db2.gz ZBRCRYVLQMKORY-JSGCOSHPSA-N 0 3 231.339 3.288 20 0 BGADHN CC1(C)C[C@@H]1N[C@@H]1CCCOc2ccccc21 ZINC000346585343 355001381 /nfs/dbraw/zinc/00/13/81/355001381.db2.gz ZBRCRYVLQMKORY-OCCSQVGLSA-N 0 3 231.339 3.288 20 0 BGADHN CC1(C)C[C@H]1N[C@@H]1CCCOc2ccccc21 ZINC000346585346 534933148 /nfs/dbraw/zinc/93/31/48/534933148.db2.gz ZBRCRYVLQMKORY-TZMCWYRMSA-N 0 3 231.339 3.288 20 0 BGADHN C[C@H](CCC1CC1)N[C@H](C)c1ccc(F)cn1 ZINC000346586952 135475756 /nfs/dbraw/zinc/47/57/56/135475756.db2.gz ILLWWCXPSFHMDP-GHMZBOCLSA-N 0 3 236.334 3.450 20 0 BGADHN C[C@H](CCC1CC1)N[C@@H](C)c1ccc(F)cn1 ZINC000346586954 388520111 /nfs/dbraw/zinc/52/01/11/388520111.db2.gz ILLWWCXPSFHMDP-MNOVXSKESA-N 0 3 236.334 3.450 20 0 BGADHN C[C@@H](CCC1CC1)N[C@@H](C)c1ccc(F)cn1 ZINC000346586956 388520227 /nfs/dbraw/zinc/52/02/27/388520227.db2.gz ILLWWCXPSFHMDP-QWRGUYRKSA-N 0 3 236.334 3.450 20 0 BGADHN C[C@@H](N[C@@H](C)CCC1CC1)c1ccc(F)cn1 ZINC000346586959 388520900 /nfs/dbraw/zinc/52/09/00/388520900.db2.gz ILLWWCXPSFHMDP-WDEREUQCSA-N 0 3 236.334 3.450 20 0 BGADHN CC(C)(C)[C@@H]1CCN(Cc2ccc(F)cn2)C1 ZINC000346603999 354990061 /nfs/dbraw/zinc/99/00/61/354990061.db2.gz IVPWPRWRVBMIGD-LLVKDONJSA-N 0 3 236.334 3.089 20 0 BGADHN CC(C)(C)[C@H]1CCN(Cc2ccc(F)cn2)C1 ZINC000346604004 354989969 /nfs/dbraw/zinc/98/99/69/354989969.db2.gz IVPWPRWRVBMIGD-NSHDSACASA-N 0 3 236.334 3.089 20 0 BGADHN COCCCN(Cc1ccccc1F)C(C)C ZINC000346609259 354991694 /nfs/dbraw/zinc/99/16/94/354991694.db2.gz SGOFTCYFENMNSH-UHFFFAOYSA-N 0 3 239.334 3.073 20 0 BGADHN C[C@@H]1CCCN(c2ccnc3ccccc32)C1 ZINC000346609692 354992601 /nfs/dbraw/zinc/99/26/01/354992601.db2.gz QNZDWAKUSOPSAI-GFCCVEGCSA-N 0 3 226.323 3.471 20 0 BGADHN C[C@H]1CCCN(c2ccnc3ccccc32)C1 ZINC000346609693 354992562 /nfs/dbraw/zinc/99/25/62/354992562.db2.gz QNZDWAKUSOPSAI-LBPRGKRZSA-N 0 3 226.323 3.471 20 0 BGADHN CN(Cc1cccnc1)c1ccnc2ccccc21 ZINC000346612372 354993265 /nfs/dbraw/zinc/99/32/65/354993265.db2.gz WCYXFMNYQKFJJO-UHFFFAOYSA-N 0 3 249.317 3.266 20 0 BGADHN CCCN(Cc1ccccc1F)C(C)C ZINC000346613104 354993154 /nfs/dbraw/zinc/99/31/54/354993154.db2.gz UVSSWJNNPZBARN-UHFFFAOYSA-N 0 3 209.308 3.446 20 0 BGADHN CN(Cc1ccc(F)cn1)C[C@@H]1CC=CCC1 ZINC000346614196 354994221 /nfs/dbraw/zinc/99/42/21/354994221.db2.gz MYJJPGCYGAVEPZ-GFCCVEGCSA-N 0 3 234.318 3.009 20 0 BGADHN CN(Cc1ccc(F)cn1)C[C@H]1CC=CCC1 ZINC000346614197 354994185 /nfs/dbraw/zinc/99/41/85/354994185.db2.gz MYJJPGCYGAVEPZ-LBPRGKRZSA-N 0 3 234.318 3.009 20 0 BGADHN Cc1cccc(CN2CCCC(C)(C)C2)n1 ZINC000346639127 355015572 /nfs/dbraw/zinc/01/55/72/355015572.db2.gz HTLKYNMMVLEGRM-UHFFFAOYSA-N 0 3 218.344 3.012 20 0 BGADHN Cc1cccc(CN2CCC(C)(C)CC2)n1 ZINC000346641479 355016165 /nfs/dbraw/zinc/01/61/65/355016165.db2.gz LIXSQZMMIWEUMR-UHFFFAOYSA-N 0 3 218.344 3.012 20 0 BGADHN CCC1(C)CCN(Cc2cccc(C)n2)CC1 ZINC000346642968 355017158 /nfs/dbraw/zinc/01/71/58/355017158.db2.gz MZAJKAPDHQLBKU-UHFFFAOYSA-N 0 3 232.371 3.402 20 0 BGADHN CC1(C)CC(N[C@@H]2CCOc3ccc(F)cc32)C1 ZINC000346665175 355006727 /nfs/dbraw/zinc/00/67/27/355006727.db2.gz RQAKZYXMPHVIFK-CYBMUJFWSA-N 0 3 249.329 3.428 20 0 BGADHN CC1(C)CC(N[C@H]2CCOc3ccc(F)cc32)C1 ZINC000346665177 355006437 /nfs/dbraw/zinc/00/64/37/355006437.db2.gz RQAKZYXMPHVIFK-ZDUSSCGKSA-N 0 3 249.329 3.428 20 0 BGADHN CCC(CC)(CC)NCc1ccn(C(F)F)n1 ZINC000346676157 355009277 /nfs/dbraw/zinc/00/92/77/355009277.db2.gz YCVWCPICHQOPMZ-UHFFFAOYSA-N 0 3 245.317 3.337 20 0 BGADHN CC1(NCc2ccn(C(F)F)n2)CCCCC1 ZINC000346679610 355009812 /nfs/dbraw/zinc/00/98/12/355009812.db2.gz VSTBCUOODJZUDU-UHFFFAOYSA-N 0 3 243.301 3.091 20 0 BGADHN C[C@]1(F)CCN(c2ccnc3ccccc32)C1 ZINC000346695379 355059721 /nfs/dbraw/zinc/05/97/21/355059721.db2.gz AMARMRUROULOJM-AWEZNQCLSA-N 0 3 230.286 3.173 20 0 BGADHN C[C@@]1(F)CCN(c2ccnc3ccccc32)C1 ZINC000346695380 355059502 /nfs/dbraw/zinc/05/95/02/355059502.db2.gz AMARMRUROULOJM-CQSZACIVSA-N 0 3 230.286 3.173 20 0 BGADHN Cc1cc(CN(CC(C)C)C2CCCC2)no1 ZINC000346731437 355088951 /nfs/dbraw/zinc/08/89/51/355088951.db2.gz HRNJAAJFBXAYKY-UHFFFAOYSA-N 0 3 236.359 3.384 20 0 BGADHN CN(CC1CC1)c1ccnc2ccccc21 ZINC000346782057 355115148 /nfs/dbraw/zinc/11/51/48/355115148.db2.gz RVDWVXPXECOKOU-UHFFFAOYSA-N 0 3 212.296 3.081 20 0 BGADHN COc1nc(C)cc(C)c1CN(C)C1CCCC1 ZINC000346831731 355129743 /nfs/dbraw/zinc/12/97/43/355129743.db2.gz ULJINCZRLWSIPV-UHFFFAOYSA-N 0 3 248.370 3.081 20 0 BGADHN Cc1ccc(CN(C)CCOC2CCC2)s1 ZINC000346832160 355129557 /nfs/dbraw/zinc/12/95/57/355129557.db2.gz AWVLNLIKVKKJHT-UHFFFAOYSA-N 0 3 239.384 3.057 20 0 BGADHN COc1nc(C)cc(C)c1CN1CCCC1(C)C ZINC000346832207 355129777 /nfs/dbraw/zinc/12/97/77/355129777.db2.gz BKBVOESDUBSMHN-UHFFFAOYSA-N 0 3 248.370 3.081 20 0 BGADHN CCC(CC)CN(CC)Cc1cncc(F)c1 ZINC000346833811 355130328 /nfs/dbraw/zinc/13/03/28/355130328.db2.gz WTZCDUFZECIKCZ-UHFFFAOYSA-N 0 3 238.350 3.479 20 0 BGADHN CC(C)[C@@H](C)N(Cc1cncc(F)c1)C1CC1 ZINC000346835624 355131720 /nfs/dbraw/zinc/13/17/20/355131720.db2.gz BAQYYNWFYOMJNN-LLVKDONJSA-N 0 3 236.334 3.230 20 0 BGADHN CC(C)[C@H](C)N(Cc1cncc(F)c1)C1CC1 ZINC000346835625 355131774 /nfs/dbraw/zinc/13/17/74/355131774.db2.gz BAQYYNWFYOMJNN-NSHDSACASA-N 0 3 236.334 3.230 20 0 BGADHN CC(C)N(CCOC1CCC1)Cc1ccco1 ZINC000346836901 355131596 /nfs/dbraw/zinc/13/15/96/355131596.db2.gz DBCHZOBJMJXTGT-UHFFFAOYSA-N 0 3 237.343 3.059 20 0 BGADHN COc1ccncc1CN(C)[C@@H]1CCC[C@H](C)C1 ZINC000346839105 355132740 /nfs/dbraw/zinc/13/27/40/355132740.db2.gz QBLAUKTVRWLBRE-GXTWGEPZSA-N 0 3 248.370 3.101 20 0 BGADHN COc1ccncc1CN(C)[C@H]1CCC[C@H](C)C1 ZINC000346839106 355132725 /nfs/dbraw/zinc/13/27/25/355132725.db2.gz QBLAUKTVRWLBRE-JSGCOSHPSA-N 0 3 248.370 3.101 20 0 BGADHN COc1ccncc1CN(C)[C@H]1CCC[C@@H](C)C1 ZINC000346839109 355132386 /nfs/dbraw/zinc/13/23/86/355132386.db2.gz QBLAUKTVRWLBRE-OCCSQVGLSA-N 0 3 248.370 3.101 20 0 BGADHN COc1ccncc1CN(C)[C@@H]1CCC[C@@H](C)C1 ZINC000346839112 135976841 /nfs/dbraw/zinc/97/68/41/135976841.db2.gz QBLAUKTVRWLBRE-TZMCWYRMSA-N 0 3 248.370 3.101 20 0 BGADHN CC[C@@H]1CCCN1Cc1c(C)cc(C)nc1OC ZINC000346839319 355132499 /nfs/dbraw/zinc/13/24/99/355132499.db2.gz IZANWFSXKXMILL-CYBMUJFWSA-N 0 3 248.370 3.081 20 0 BGADHN CC[C@H]1CCCN1Cc1c(C)cc(C)nc1OC ZINC000346839320 355132659 /nfs/dbraw/zinc/13/26/59/355132659.db2.gz IZANWFSXKXMILL-ZDUSSCGKSA-N 0 3 248.370 3.081 20 0 BGADHN COc1ccncc1CN(C)CC1CCCCC1 ZINC000346843044 355134629 /nfs/dbraw/zinc/13/46/29/355134629.db2.gz KUYHPAYGQAYAHT-UHFFFAOYSA-N 0 3 248.370 3.102 20 0 BGADHN COc1nc(C)cc(C)c1CN(C(C)C)C1CC1 ZINC000346846068 355135491 /nfs/dbraw/zinc/13/54/91/355135491.db2.gz ZMDBCAYUWVHPFS-UHFFFAOYSA-N 0 3 248.370 3.080 20 0 BGADHN CCCN(C)c1ccnc2ccccc21 ZINC000346846337 355135752 /nfs/dbraw/zinc/13/57/52/355135752.db2.gz LQGPQTHYKLRMDG-UHFFFAOYSA-N 0 3 200.285 3.081 20 0 BGADHN CCCN(Cc1c(C)cc(C)nc1OC)C1CC1 ZINC000346853372 355138998 /nfs/dbraw/zinc/13/89/98/355138998.db2.gz SAEPAWTXLNIOLK-UHFFFAOYSA-N 0 3 248.370 3.081 20 0 BGADHN CC(C)C[C@@H]1CCCN1Cc1cncc(F)c1 ZINC000346861352 355119150 /nfs/dbraw/zinc/11/91/50/355119150.db2.gz ALLDEOOKEOYDEI-AWEZNQCLSA-N 0 3 236.334 3.231 20 0 BGADHN CC(C)C[C@H]1CCCN1Cc1cncc(F)c1 ZINC000346861355 355119496 /nfs/dbraw/zinc/11/94/96/355119496.db2.gz ALLDEOOKEOYDEI-CQSZACIVSA-N 0 3 236.334 3.231 20 0 BGADHN COc1ccncc1CN1CCC[C@H]1CC(C)C ZINC000346867769 355156838 /nfs/dbraw/zinc/15/68/38/355156838.db2.gz HXVWWVIHVHCSCX-AWEZNQCLSA-N 0 3 248.370 3.101 20 0 BGADHN COc1ccncc1CN1CCC[C@@H]1CC(C)C ZINC000346867770 355156997 /nfs/dbraw/zinc/15/69/97/355156997.db2.gz HXVWWVIHVHCSCX-CQSZACIVSA-N 0 3 248.370 3.101 20 0 BGADHN c1nc(CN[C@@H]2CC[C@H]3CCCC[C@H]3C2)co1 ZINC000346868479 388521093 /nfs/dbraw/zinc/52/10/93/388521093.db2.gz YSQVTJGRPMENQB-FRRDWIJNSA-N 0 3 234.343 3.123 20 0 BGADHN c1nc(CN[C@@H]2CC[C@H]3CCCC[C@@H]3C2)co1 ZINC000346868480 388521564 /nfs/dbraw/zinc/52/15/64/388521564.db2.gz YSQVTJGRPMENQB-JHJVBQTASA-N 0 3 234.343 3.123 20 0 BGADHN c1nc(CN[C@@H]2CC[C@@H]3CCCC[C@H]3C2)co1 ZINC000346868482 388522252 /nfs/dbraw/zinc/52/22/52/388522252.db2.gz YSQVTJGRPMENQB-RWMBFGLXSA-N 0 3 234.343 3.123 20 0 BGADHN c1nc(CN[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)co1 ZINC000346868485 388522508 /nfs/dbraw/zinc/52/25/08/388522508.db2.gz YSQVTJGRPMENQB-YNEHKIRRSA-N 0 3 234.343 3.123 20 0 BGADHN Cc1ccsc1CN(C)CCOC1CCC1 ZINC000346869396 355158004 /nfs/dbraw/zinc/15/80/04/355158004.db2.gz MVYSNRZRWSAXSH-UHFFFAOYSA-N 0 3 239.384 3.057 20 0 BGADHN CCN(CCOC1CCC1)Cc1ccccc1 ZINC000346870793 355139644 /nfs/dbraw/zinc/13/96/44/355139644.db2.gz KTEYRBCRIYAXBV-UHFFFAOYSA-N 0 3 233.355 3.078 20 0 BGADHN COc1nc(C)cc(C)c1CN1CCCCCC1 ZINC000346870937 355140745 /nfs/dbraw/zinc/14/07/45/355140745.db2.gz OONONTOGCATBOA-UHFFFAOYSA-N 0 3 248.370 3.083 20 0 BGADHN COc1nc(C)cc(C)c1CN1CCCC[C@H]1C ZINC000346882003 355144088 /nfs/dbraw/zinc/14/40/88/355144088.db2.gz LKUWVAWWUZAFMH-CYBMUJFWSA-N 0 3 248.370 3.081 20 0 BGADHN COc1nc(C)cc(C)c1CN1CCCC[C@@H]1C ZINC000346882005 355144100 /nfs/dbraw/zinc/14/41/00/355144100.db2.gz LKUWVAWWUZAFMH-ZDUSSCGKSA-N 0 3 248.370 3.081 20 0 BGADHN CCc1ccc(CN(C)CCOC2CCC2)cc1 ZINC000346890729 355145387 /nfs/dbraw/zinc/14/53/87/355145387.db2.gz SZDZEZAEKCTEOZ-UHFFFAOYSA-N 0 3 247.382 3.250 20 0 BGADHN CCN(CCOC1CCC1)Cc1ccccc1C ZINC000346892046 355146780 /nfs/dbraw/zinc/14/67/80/355146780.db2.gz UDRIBCQPZJBLGN-UHFFFAOYSA-N 0 3 247.382 3.386 20 0 BGADHN c1ccc(CN(CCOC2CCC2)C2CC2)cc1 ZINC000346892093 355146552 /nfs/dbraw/zinc/14/65/52/355146552.db2.gz UIQJTWPCJFPQSW-UHFFFAOYSA-N 0 3 245.366 3.220 20 0 BGADHN CCC1(C)CCN(Cc2cnccc2OC)CC1 ZINC000346910274 355150568 /nfs/dbraw/zinc/15/05/68/355150568.db2.gz ULZHIPUPBHHIFK-UHFFFAOYSA-N 0 3 248.370 3.102 20 0 BGADHN CN(CCC(F)(F)F)C[C@H]1Cc2ccccc21 ZINC000346915051 355152662 /nfs/dbraw/zinc/15/26/62/355152662.db2.gz ZPUMEYVRYHBRGR-LLVKDONJSA-N 0 3 243.272 3.211 20 0 BGADHN CN(CCC(F)(F)F)C[C@@H]1Cc2ccccc21 ZINC000346915054 355152789 /nfs/dbraw/zinc/15/27/89/355152789.db2.gz ZPUMEYVRYHBRGR-NSHDSACASA-N 0 3 243.272 3.211 20 0 BGADHN C[C@@H]1CC[C@]2(CCN(Cc3cncc(F)c3)C2)C1 ZINC000346933763 355181833 /nfs/dbraw/zinc/18/18/33/355181833.db2.gz BZVUUSYAADNIFS-DOMZBBRYSA-N 0 3 248.345 3.233 20 0 BGADHN C[C@@H]1CC[C@@]2(CCN(Cc3cncc(F)c3)C2)C1 ZINC000346933764 355181888 /nfs/dbraw/zinc/18/18/88/355181888.db2.gz BZVUUSYAADNIFS-IUODEOHRSA-N 0 3 248.345 3.233 20 0 BGADHN C[C@H]1CC[C@@]2(CCN(Cc3cncc(F)c3)C2)C1 ZINC000346933765 355182242 /nfs/dbraw/zinc/18/22/42/355182242.db2.gz BZVUUSYAADNIFS-SWLSCSKDSA-N 0 3 248.345 3.233 20 0 BGADHN C[C@H]1CC[C@]2(CCN(Cc3cncc(F)c3)C2)C1 ZINC000346933766 355182025 /nfs/dbraw/zinc/18/20/25/355182025.db2.gz BZVUUSYAADNIFS-WFASDCNBSA-N 0 3 248.345 3.233 20 0 BGADHN CC(C)CN(C)c1ccnc2ccccc21 ZINC000346936692 355183114 /nfs/dbraw/zinc/18/31/14/355183114.db2.gz FXXVKIIAXXWOBL-UHFFFAOYSA-N 0 3 214.312 3.327 20 0 BGADHN COC[C@@H](CC(C)C)Nc1cc(C)cc(C)n1 ZINC000346936973 355183519 /nfs/dbraw/zinc/18/35/19/355183519.db2.gz LJIOAUOZGOTEPV-CYBMUJFWSA-N 0 3 236.359 3.171 20 0 BGADHN COC[C@H](CC(C)C)Nc1cc(C)cc(C)n1 ZINC000346936974 355183882 /nfs/dbraw/zinc/18/38/82/355183882.db2.gz LJIOAUOZGOTEPV-ZDUSSCGKSA-N 0 3 236.359 3.171 20 0 BGADHN CN(Cc1ccoc1)c1ccnc2ccccc21 ZINC000346942018 136234122 /nfs/dbraw/zinc/23/41/22/136234122.db2.gz PUJMPBDTPGYZSV-UHFFFAOYSA-N 0 3 238.290 3.464 20 0 BGADHN CN(Cc1cncc(F)c1)C[C@@H]1CC=CCC1 ZINC000346950779 355164189 /nfs/dbraw/zinc/16/41/89/355164189.db2.gz UNSICZCLWDAFOY-GFCCVEGCSA-N 0 3 234.318 3.009 20 0 BGADHN CN(Cc1cncc(F)c1)C[C@H]1CC=CCC1 ZINC000346950781 355164112 /nfs/dbraw/zinc/16/41/12/355164112.db2.gz UNSICZCLWDAFOY-LBPRGKRZSA-N 0 3 234.318 3.009 20 0 BGADHN Cc1cccc([C@@H](C)NCCOC2CCC2)c1 ZINC000346952081 355165062 /nfs/dbraw/zinc/16/50/62/355165062.db2.gz YNFFMWJCLWNXMQ-CYBMUJFWSA-N 0 3 233.355 3.215 20 0 BGADHN Cc1cccc([C@H](C)NCCOC2CCC2)c1 ZINC000346952089 355165474 /nfs/dbraw/zinc/16/54/74/355165474.db2.gz YNFFMWJCLWNXMQ-ZDUSSCGKSA-N 0 3 233.355 3.215 20 0 BGADHN CCn1cccc1CN(C)CCc1ccccc1 ZINC000346954476 355166541 /nfs/dbraw/zinc/16/65/41/355166541.db2.gz LYMQMFAGACFQCM-UHFFFAOYSA-N 0 3 242.366 3.183 20 0 BGADHN CC1=CCN(CCc2ccccc2F)CC1 ZINC000346956146 355167080 /nfs/dbraw/zinc/16/70/80/355167080.db2.gz CGWZBTGKCQRBOH-UHFFFAOYSA-N 0 3 219.303 3.020 20 0 BGADHN FCCCCCN1CCC[C@H]1c1cccnc1 ZINC000346981000 355183558 /nfs/dbraw/zinc/18/35/58/355183558.db2.gz MQEVCLANKHZKOR-AWEZNQCLSA-N 0 3 236.334 3.358 20 0 BGADHN FCCCCCN1CCC[C@@H]1c1cccnc1 ZINC000346981002 355183484 /nfs/dbraw/zinc/18/34/84/355183484.db2.gz MQEVCLANKHZKOR-CQSZACIVSA-N 0 3 236.334 3.358 20 0 BGADHN C[C@H]1CN(Cc2cncc(F)c2)CC(C)(C)C1 ZINC000346981353 355183457 /nfs/dbraw/zinc/18/34/57/355183457.db2.gz YLSBUTQOBRKDLJ-LLVKDONJSA-N 0 3 236.334 3.089 20 0 BGADHN C[C@@H]1CN(Cc2cncc(F)c2)CC(C)(C)C1 ZINC000346981363 355183985 /nfs/dbraw/zinc/18/39/85/355183985.db2.gz YLSBUTQOBRKDLJ-NSHDSACASA-N 0 3 236.334 3.089 20 0 BGADHN Fc1ccc(CN2CCCC3(CCCC3)C2)nc1 ZINC000346984190 355185656 /nfs/dbraw/zinc/18/56/56/355185656.db2.gz OLCWWZWXZMJKMF-UHFFFAOYSA-N 0 3 248.345 3.377 20 0 BGADHN CC1(C)CCCCN(Cc2ccc(F)cn2)C1 ZINC000346984202 355185588 /nfs/dbraw/zinc/18/55/88/355185588.db2.gz OLRJYMHFXSXTHB-UHFFFAOYSA-N 0 3 236.334 3.233 20 0 BGADHN CC(C)(C)C1=CCN(CCOC2CCC2)CC1 ZINC000346989792 355189696 /nfs/dbraw/zinc/18/96/96/355189696.db2.gz SHYUAKVLTZQAIL-UHFFFAOYSA-N 0 3 237.387 3.234 20 0 BGADHN COCCCCCN1CCC[C@H]1c1cccnc1 ZINC000346991512 355190330 /nfs/dbraw/zinc/19/03/30/355190330.db2.gz VHBVSCQYBYFYTD-HNNXBMFYSA-N 0 3 248.370 3.035 20 0 BGADHN COCCCCCN1CCC[C@@H]1c1cccnc1 ZINC000346991513 355190405 /nfs/dbraw/zinc/19/04/05/355190405.db2.gz VHBVSCQYBYFYTD-OAHLLOKOSA-N 0 3 248.370 3.035 20 0 BGADHN CCCCOCCN1CCC[C@H]1c1cccnc1 ZINC000346991766 355190740 /nfs/dbraw/zinc/19/07/40/355190740.db2.gz XDICGPBTIBJXSJ-HNNXBMFYSA-N 0 3 248.370 3.035 20 0 BGADHN CCCCOCCN1CCC[C@@H]1c1cccnc1 ZINC000346991767 355190546 /nfs/dbraw/zinc/19/05/46/355190546.db2.gz XDICGPBTIBJXSJ-OAHLLOKOSA-N 0 3 248.370 3.035 20 0 BGADHN CCCN(C)Cc1cc(-c2ccc(F)cc2)no1 ZINC000347006154 355202486 /nfs/dbraw/zinc/20/24/86/355202486.db2.gz MQMTUMGHLKXMHD-UHFFFAOYSA-N 0 3 248.301 3.323 20 0 BGADHN COc1ccncc1CN1CCCC(C)(C)CC1 ZINC000347028160 386220386 /nfs/dbraw/zinc/22/03/86/386220386.db2.gz FVZXBWFMCNVBSV-UHFFFAOYSA-N 0 3 248.370 3.102 20 0 BGADHN c1ccc([C@@H]2CCN2CCOC2CCC2)cc1 ZINC000347028325 386221316 /nfs/dbraw/zinc/22/13/16/386221316.db2.gz GTZOMUMZXYSVMF-HNNXBMFYSA-N 0 3 231.339 3.003 20 0 BGADHN c1ccc([C@H]2CCN2CCOC2CCC2)cc1 ZINC000347028326 386220614 /nfs/dbraw/zinc/22/06/14/386220614.db2.gz GTZOMUMZXYSVMF-OAHLLOKOSA-N 0 3 231.339 3.003 20 0 BGADHN CC[C@@H]1CCCN(Cc2cnccc2OC)CC1 ZINC000347028878 386220408 /nfs/dbraw/zinc/22/04/08/386220408.db2.gz HLBAHQHPXFQLFV-CYBMUJFWSA-N 0 3 248.370 3.102 20 0 BGADHN CC[C@H]1CCCN(Cc2cnccc2OC)CC1 ZINC000347028879 386220142 /nfs/dbraw/zinc/22/01/42/386220142.db2.gz HLBAHQHPXFQLFV-ZDUSSCGKSA-N 0 3 248.370 3.102 20 0 BGADHN COc1nc(C)cc(C)c1CN1[C@H](C)CC[C@@H]1C ZINC000347028894 133802984 /nfs/dbraw/zinc/80/29/84/133802984.db2.gz HRBJVWQAHKHMRW-BETUJISGSA-N 0 3 248.370 3.080 20 0 BGADHN COc1nc(C)cc(C)c1CN1[C@H](C)CC[C@H]1C ZINC000347028895 386221638 /nfs/dbraw/zinc/22/16/38/386221638.db2.gz HRBJVWQAHKHMRW-CHWSQXEVSA-N 0 3 248.370 3.080 20 0 BGADHN COc1nc(C)cc(C)c1CN1[C@@H](C)CC[C@@H]1C ZINC000347028896 386221229 /nfs/dbraw/zinc/22/12/29/386221229.db2.gz HRBJVWQAHKHMRW-STQMWFEESA-N 0 3 248.370 3.080 20 0 BGADHN CC[C@@H]1CCCN(Cc2cncc(F)c2)CC1 ZINC000347031368 386224452 /nfs/dbraw/zinc/22/44/52/386224452.db2.gz KOTHMDVZNNJWMH-GFCCVEGCSA-N 0 3 236.334 3.233 20 0 BGADHN CC[C@H]1CCCN(Cc2cncc(F)c2)CC1 ZINC000347031369 386222927 /nfs/dbraw/zinc/22/29/27/386222927.db2.gz KOTHMDVZNNJWMH-LBPRGKRZSA-N 0 3 236.334 3.233 20 0 BGADHN COc1ccncc1CN1CCCC[C@H]1C(C)C ZINC000347032244 386223800 /nfs/dbraw/zinc/22/38/00/386223800.db2.gz LTRMBJHNXOVJLB-AWEZNQCLSA-N 0 3 248.370 3.101 20 0 BGADHN COc1ccncc1CN1CCCC[C@@H]1C(C)C ZINC000347032245 386224167 /nfs/dbraw/zinc/22/41/67/386224167.db2.gz LTRMBJHNXOVJLB-CQSZACIVSA-N 0 3 248.370 3.101 20 0 BGADHN C[C@@H]1Cc2ccccc2CN1CCOC1CCC1 ZINC000347034261 386223062 /nfs/dbraw/zinc/22/30/62/386223062.db2.gz OTQNYPBQCPTFEV-CYBMUJFWSA-N 0 3 245.366 3.002 20 0 BGADHN C[C@H]1Cc2ccccc2CN1CCOC1CCC1 ZINC000347034264 386222953 /nfs/dbraw/zinc/22/29/53/386222953.db2.gz OTQNYPBQCPTFEV-ZDUSSCGKSA-N 0 3 245.366 3.002 20 0 BGADHN CCN(Cc1c(C)cc(C)nc1OC)C1CCC1 ZINC000347044179 386228303 /nfs/dbraw/zinc/22/83/03/386228303.db2.gz DIBXLIRPUGUREV-UHFFFAOYSA-N 0 3 248.370 3.081 20 0 BGADHN CC[C@@]1(C)CCCN(Cc2cnccc2OC)C1 ZINC000347047796 386229740 /nfs/dbraw/zinc/22/97/40/386229740.db2.gz AJILLENMHYIJQN-HNNXBMFYSA-N 0 3 248.370 3.102 20 0 BGADHN CC[C@]1(C)CCCN(Cc2cnccc2OC)C1 ZINC000347047797 386229502 /nfs/dbraw/zinc/22/95/02/386229502.db2.gz AJILLENMHYIJQN-OAHLLOKOSA-N 0 3 248.370 3.102 20 0 BGADHN CCC1(CC)CCN(Cc2cnccc2OC)C1 ZINC000347048350 386231812 /nfs/dbraw/zinc/23/18/12/386231812.db2.gz IFZJZCUDCURMFC-UHFFFAOYSA-N 0 3 248.370 3.102 20 0 BGADHN C[C@@H]1CCC[C@H](C)N(Cc2cncc(F)c2)C1 ZINC000347049756 386204374 /nfs/dbraw/zinc/20/43/74/386204374.db2.gz JDAFIDSUUOUZHT-NEPJUHHUSA-N 0 3 236.334 3.231 20 0 BGADHN C[C@@H]1CCC[C@H](C)CN1Cc1cncc(F)c1 ZINC000347049757 386204953 /nfs/dbraw/zinc/20/49/53/386204953.db2.gz JDAFIDSUUOUZHT-NWDGAFQWSA-N 0 3 236.334 3.231 20 0 BGADHN C[C@H]1CCC[C@H](C)N(Cc2cncc(F)c2)C1 ZINC000347049758 386203336 /nfs/dbraw/zinc/20/33/36/386203336.db2.gz JDAFIDSUUOUZHT-RYUDHWBXSA-N 0 3 236.334 3.231 20 0 BGADHN C[C@@H]1CCC[C@@H](C)N(Cc2cncc(F)c2)C1 ZINC000347049759 386205181 /nfs/dbraw/zinc/20/51/81/386205181.db2.gz JDAFIDSUUOUZHT-VXGBXAGGSA-N 0 3 236.334 3.231 20 0 BGADHN CC[C@H]1CCCCCN1Cc1cncc(F)c1 ZINC000347049798 386203699 /nfs/dbraw/zinc/20/36/99/386203699.db2.gz IWHJARXUFARPID-AWEZNQCLSA-N 0 3 236.334 3.375 20 0 BGADHN CC[C@@H]1CCCCCN1Cc1cncc(F)c1 ZINC000347049799 386204010 /nfs/dbraw/zinc/20/40/10/386204010.db2.gz IWHJARXUFARPID-CQSZACIVSA-N 0 3 236.334 3.375 20 0 BGADHN COc1ccncc1CN1C[C@H](C)CCC[C@H]1C ZINC000347051270 386204305 /nfs/dbraw/zinc/20/43/05/386204305.db2.gz JYAGAEAVZBDTSY-CHWSQXEVSA-N 0 3 248.370 3.101 20 0 BGADHN COc1ccncc1CN1C[C@H](C)CCC[C@@H]1C ZINC000347051272 386203768 /nfs/dbraw/zinc/20/37/68/386203768.db2.gz JYAGAEAVZBDTSY-OLZOCXBDSA-N 0 3 248.370 3.101 20 0 BGADHN COc1ccncc1CN1C[C@@H](C)CCC[C@H]1C ZINC000347051275 386203444 /nfs/dbraw/zinc/20/34/44/386203444.db2.gz JYAGAEAVZBDTSY-QWHCGFSZSA-N 0 3 248.370 3.101 20 0 BGADHN COc1ccncc1CN1C[C@@H](C)CCC[C@@H]1C ZINC000347051278 386204974 /nfs/dbraw/zinc/20/49/74/386204974.db2.gz JYAGAEAVZBDTSY-STQMWFEESA-N 0 3 248.370 3.101 20 0 BGADHN C[C@@H]1c2ccccc2CCN1CCOC1CCC1 ZINC000347060292 386208796 /nfs/dbraw/zinc/20/87/96/386208796.db2.gz TWTGVKMZHDPHTF-CYBMUJFWSA-N 0 3 245.366 3.175 20 0 BGADHN C[C@H]1c2ccccc2CCN1CCOC1CCC1 ZINC000347060294 386210807 /nfs/dbraw/zinc/21/08/07/386210807.db2.gz TWTGVKMZHDPHTF-ZDUSSCGKSA-N 0 3 245.366 3.175 20 0 BGADHN CCc1cccc(CN2CC[C@H](C)[C@@H](OC)C2)c1 ZINC000347061761 386208679 /nfs/dbraw/zinc/20/86/79/386208679.db2.gz YXWXKOXRUSYDES-BBRMVZONSA-N 0 3 247.382 3.106 20 0 BGADHN CCc1cccc(CN2CC[C@@H](C)[C@@H](OC)C2)c1 ZINC000347061763 386209230 /nfs/dbraw/zinc/20/92/30/386209230.db2.gz YXWXKOXRUSYDES-CJNGLKHVSA-N 0 3 247.382 3.106 20 0 BGADHN CCc1cccc(CN2CC[C@@H](C)[C@H](OC)C2)c1 ZINC000347061765 386210817 /nfs/dbraw/zinc/21/08/17/386210817.db2.gz YXWXKOXRUSYDES-CZUORRHYSA-N 0 3 247.382 3.106 20 0 BGADHN CCc1cccc(CN2CC[C@H](C)[C@H](OC)C2)c1 ZINC000347061767 386210637 /nfs/dbraw/zinc/21/06/37/386210637.db2.gz YXWXKOXRUSYDES-XJKSGUPXSA-N 0 3 247.382 3.106 20 0 BGADHN CC[C@H]1CCCCCN1Cc1cnccc1OC ZINC000347062916 386212389 /nfs/dbraw/zinc/21/23/89/386212389.db2.gz XKURLKCXEURIHM-AWEZNQCLSA-N 0 3 248.370 3.245 20 0 BGADHN CC[C@@H]1CCCCCN1Cc1cnccc1OC ZINC000347062919 386213352 /nfs/dbraw/zinc/21/33/52/386213352.db2.gz XKURLKCXEURIHM-CQSZACIVSA-N 0 3 248.370 3.245 20 0 BGADHN CCC[C@@H]1CCCN(Cc2cnccc2OC)C1 ZINC000347064494 386211753 /nfs/dbraw/zinc/21/17/53/386211753.db2.gz YYODOLNXZBJGFL-CYBMUJFWSA-N 0 3 248.370 3.102 20 0 BGADHN CCC[C@H]1CCCN(Cc2cnccc2OC)C1 ZINC000347064496 386211768 /nfs/dbraw/zinc/21/17/68/386211768.db2.gz YYODOLNXZBJGFL-ZDUSSCGKSA-N 0 3 248.370 3.102 20 0 BGADHN COc1ccncc1CN(C)[C@@H]1CCC(C)(C)C1 ZINC000347075363 386218369 /nfs/dbraw/zinc/21/83/69/386218369.db2.gz HFHZKFDRBGUAGR-CYBMUJFWSA-N 0 3 248.370 3.101 20 0 BGADHN COc1ccncc1CN(C)[C@H]1CCC(C)(C)C1 ZINC000347075364 386216628 /nfs/dbraw/zinc/21/66/28/386216628.db2.gz HFHZKFDRBGUAGR-ZDUSSCGKSA-N 0 3 248.370 3.101 20 0 BGADHN CN(Cc1cncc(F)c1)[C@@H]1CCC(C)(C)C1 ZINC000347081870 386242992 /nfs/dbraw/zinc/24/29/92/386242992.db2.gz GYNNECMXIBQVHW-CYBMUJFWSA-N 0 3 236.334 3.231 20 0 BGADHN CN(Cc1cncc(F)c1)[C@H]1CCC(C)(C)C1 ZINC000347081872 386242603 /nfs/dbraw/zinc/24/26/03/386242603.db2.gz GYNNECMXIBQVHW-ZDUSSCGKSA-N 0 3 236.334 3.231 20 0 BGADHN CCCCCN(CCOC)Cc1ccc(C)o1 ZINC000347094539 386246638 /nfs/dbraw/zinc/24/66/38/386246638.db2.gz HLXGEGKIMVMXRG-UHFFFAOYSA-N 0 3 239.359 3.227 20 0 BGADHN Cc1cc(C)cc(CN(C)CCOC2CCC2)c1 ZINC000347122319 386234123 /nfs/dbraw/zinc/23/41/23/386234123.db2.gz MTIKRRHWQWCWSA-UHFFFAOYSA-N 0 3 247.382 3.304 20 0 BGADHN Cc1ccc(C)c(CN(C)CCOC2CCC2)c1 ZINC000347125406 386238345 /nfs/dbraw/zinc/23/83/45/386238345.db2.gz QRXZKTQOLSOCCV-UHFFFAOYSA-N 0 3 247.382 3.304 20 0 BGADHN CCOCCN(CC)c1ccnc2ccccc21 ZINC000347127594 535588790 /nfs/dbraw/zinc/58/87/90/535588790.db2.gz LXLVGJHAQIQDJF-UHFFFAOYSA-N 0 3 244.338 3.098 20 0 BGADHN Fc1cncc(CN2CCCC3(CCCC3)C2)c1 ZINC000347153368 386264314 /nfs/dbraw/zinc/26/43/14/386264314.db2.gz AJNTYAIBPKDAAD-UHFFFAOYSA-N 0 3 248.345 3.377 20 0 BGADHN C[C@@H]1C[C@H](C)[C@@H](C)N(Cc2cncc(F)c2)C1 ZINC000347170763 386267392 /nfs/dbraw/zinc/26/73/92/386267392.db2.gz PZEBNSKRTHUTDB-GRYCIOLGSA-N 0 3 236.334 3.087 20 0 BGADHN C[C@@H]1C[C@@H](C)[C@@H](C)N(Cc2cncc(F)c2)C1 ZINC000347170767 386265629 /nfs/dbraw/zinc/26/56/29/386265629.db2.gz PZEBNSKRTHUTDB-IJLUTSLNSA-N 0 3 236.334 3.087 20 0 BGADHN C[C@@H]1C[C@@H](C)[C@H](C)N(Cc2cncc(F)c2)C1 ZINC000347171238 386266013 /nfs/dbraw/zinc/26/60/13/386266013.db2.gz PZEBNSKRTHUTDB-UTUOFQBUSA-N 0 3 236.334 3.087 20 0 BGADHN C[C@@H]1C[C@H](C)[C@H](C)N(Cc2cncc(F)c2)C1 ZINC000347171239 386265377 /nfs/dbraw/zinc/26/53/77/386265377.db2.gz PZEBNSKRTHUTDB-WOPDTQHZSA-N 0 3 236.334 3.087 20 0 BGADHN Cc1cc([C@@H](C)NCCOC2CCC2)c(C)o1 ZINC000347172208 386267068 /nfs/dbraw/zinc/26/70/68/386267068.db2.gz RFDXFVJCLLDJRJ-LLVKDONJSA-N 0 3 237.343 3.116 20 0 BGADHN Cc1cc([C@H](C)NCCOC2CCC2)c(C)o1 ZINC000347172209 386267602 /nfs/dbraw/zinc/26/76/02/386267602.db2.gz RFDXFVJCLLDJRJ-NSHDSACASA-N 0 3 237.343 3.116 20 0 BGADHN C[C@@H](NCCCC1CCOCC1)c1ccco1 ZINC000347193298 386258391 /nfs/dbraw/zinc/25/83/91/386258391.db2.gz FWQMTEKQSVKRBZ-GFCCVEGCSA-N 0 3 237.343 3.137 20 0 BGADHN C[C@H](NCCCC1CCOCC1)c1ccco1 ZINC000347193299 386257662 /nfs/dbraw/zinc/25/76/62/386257662.db2.gz FWQMTEKQSVKRBZ-LBPRGKRZSA-N 0 3 237.343 3.137 20 0 BGADHN CC(C)[C@@H]1CCCN(Cc2cncc(F)c2)C1 ZINC000347194837 386258749 /nfs/dbraw/zinc/25/87/49/386258749.db2.gz YPNHMHSTOUNRME-CYBMUJFWSA-N 0 3 236.334 3.089 20 0 BGADHN CC(C)[C@H]1CCCN(Cc2cncc(F)c2)C1 ZINC000347194839 386257452 /nfs/dbraw/zinc/25/74/52/386257452.db2.gz YPNHMHSTOUNRME-ZDUSSCGKSA-N 0 3 236.334 3.089 20 0 BGADHN CC(C)(C)[C@@H]1CCN(Cc2cncc(F)c2)C1 ZINC000347199498 386282665 /nfs/dbraw/zinc/28/26/65/386282665.db2.gz MMRGGEZZHLYZDR-GFCCVEGCSA-N 0 3 236.334 3.089 20 0 BGADHN CC(C)(C)[C@H]1CCN(Cc2cncc(F)c2)C1 ZINC000347199499 386282851 /nfs/dbraw/zinc/28/28/51/386282851.db2.gz MMRGGEZZHLYZDR-LBPRGKRZSA-N 0 3 236.334 3.089 20 0 BGADHN CC1(C)CCCCN(Cc2cncc(F)c2)C1 ZINC000347221260 386287030 /nfs/dbraw/zinc/28/70/30/386287030.db2.gz FLAGJKBRLRTPCX-UHFFFAOYSA-N 0 3 236.334 3.233 20 0 BGADHN COc1ccncc1CN(C)[C@@H]1CCCC[C@@H]1C ZINC000347227657 386289380 /nfs/dbraw/zinc/28/93/80/386289380.db2.gz MNTSSRFXSQRAKM-GXTWGEPZSA-N 0 3 248.370 3.101 20 0 BGADHN COc1ccncc1CN(C)[C@H]1CCCC[C@@H]1C ZINC000347227661 386289082 /nfs/dbraw/zinc/28/90/82/386289082.db2.gz MNTSSRFXSQRAKM-JSGCOSHPSA-N 0 3 248.370 3.101 20 0 BGADHN COc1ccncc1CN(C)[C@H]1CCCC[C@H]1C ZINC000347227665 386290824 /nfs/dbraw/zinc/29/08/24/386290824.db2.gz MNTSSRFXSQRAKM-OCCSQVGLSA-N 0 3 248.370 3.101 20 0 BGADHN COc1ccncc1CN(C)[C@@H]1CCCC[C@H]1C ZINC000347227667 386290471 /nfs/dbraw/zinc/29/04/71/386290471.db2.gz MNTSSRFXSQRAKM-TZMCWYRMSA-N 0 3 248.370 3.101 20 0 BGADHN CCC[C@H]1CCCCN1Cc1cnccc1OC ZINC000347252623 386277677 /nfs/dbraw/zinc/27/76/77/386277677.db2.gz QUSSZKINWZBVRR-AWEZNQCLSA-N 0 3 248.370 3.245 20 0 BGADHN CCC[C@@H]1CCCCN1Cc1cnccc1OC ZINC000347252627 386279053 /nfs/dbraw/zinc/27/90/53/386279053.db2.gz QUSSZKINWZBVRR-CQSZACIVSA-N 0 3 248.370 3.245 20 0 BGADHN CCC1(CC)CCN(Cc2cnc(C)s2)C1 ZINC000347253764 386308370 /nfs/dbraw/zinc/30/83/70/386308370.db2.gz QRWKEWBEOHHYDQ-UHFFFAOYSA-N 0 3 238.400 3.464 20 0 BGADHN COc1ccncc1CN1CCCCC(C)(C)C1 ZINC000347258291 386308982 /nfs/dbraw/zinc/30/89/82/386308982.db2.gz XSZASONZJCPWFW-UHFFFAOYSA-N 0 3 248.370 3.102 20 0 BGADHN C[C@H](c1ccco1)N(C)CCCc1ccncc1 ZINC000347299325 386302932 /nfs/dbraw/zinc/30/29/32/386302932.db2.gz KQSLSTABTBDDKC-CYBMUJFWSA-N 0 3 244.338 3.300 20 0 BGADHN C[C@@H](c1ccco1)N(C)CCCc1ccncc1 ZINC000347299327 386302179 /nfs/dbraw/zinc/30/21/79/386302179.db2.gz KQSLSTABTBDDKC-ZDUSSCGKSA-N 0 3 244.338 3.300 20 0 BGADHN Cc1ncc(CN([C@@H](C)C(C)C)C2CC2)s1 ZINC000347305936 386348142 /nfs/dbraw/zinc/34/81/42/386348142.db2.gz LHGXHDZWCGXCHB-JTQLQIEISA-N 0 3 238.400 3.460 20 0 BGADHN Cc1ncc(CN([C@H](C)C(C)C)C2CC2)s1 ZINC000347305937 386348686 /nfs/dbraw/zinc/34/86/86/386348686.db2.gz LHGXHDZWCGXCHB-SNVBAGLBSA-N 0 3 238.400 3.460 20 0 BGADHN CN(CC1CCC1)c1ccnc2ccccc21 ZINC000347306443 386348747 /nfs/dbraw/zinc/34/87/47/386348747.db2.gz ISWJCIIDMVXXQV-UHFFFAOYSA-N 0 3 226.323 3.471 20 0 BGADHN Cc1csc(CN(C)[C@@H]2CCC(C)(C)C2)n1 ZINC000347323047 386361248 /nfs/dbraw/zinc/36/12/48/386361248.db2.gz CZJWUHLEQDBUHN-LLVKDONJSA-N 0 3 238.400 3.462 20 0 BGADHN Cc1csc(CN(C)[C@H]2CCC(C)(C)C2)n1 ZINC000347323051 386361192 /nfs/dbraw/zinc/36/11/92/386361192.db2.gz CZJWUHLEQDBUHN-NSHDSACASA-N 0 3 238.400 3.462 20 0 BGADHN Cc1ncsc1CN(C)[C@@H]1CCC(C)(C)C1 ZINC000347323304 386363938 /nfs/dbraw/zinc/36/39/38/386363938.db2.gz DRJUERLAPKNQGA-LLVKDONJSA-N 0 3 238.400 3.462 20 0 BGADHN Cc1ncsc1CN(C)[C@H]1CCC(C)(C)C1 ZINC000347324243 386362511 /nfs/dbraw/zinc/36/25/11/386362511.db2.gz DRJUERLAPKNQGA-NSHDSACASA-N 0 3 238.400 3.462 20 0 BGADHN Cc1cccc(C)c1CN1CC[C@](C)(F)C1 ZINC000347342244 386339337 /nfs/dbraw/zinc/33/93/37/386339337.db2.gz GMSRGMQEXGZPLB-AWEZNQCLSA-N 0 3 221.319 3.237 20 0 BGADHN Cc1cccc(C)c1CN1CC[C@@](C)(F)C1 ZINC000347342275 386339482 /nfs/dbraw/zinc/33/94/82/386339482.db2.gz GMSRGMQEXGZPLB-CQSZACIVSA-N 0 3 221.319 3.237 20 0 BGADHN Cc1cc(C)cc(CN2CC[C@](C)(F)C2)c1 ZINC000347348215 386342845 /nfs/dbraw/zinc/34/28/45/386342845.db2.gz HJASMHUTFNNRLG-AWEZNQCLSA-N 0 3 221.319 3.237 20 0 BGADHN Cc1cc(C)cc(CN2CC[C@@](C)(F)C2)c1 ZINC000347348217 386343861 /nfs/dbraw/zinc/34/38/61/386343861.db2.gz HJASMHUTFNNRLG-CQSZACIVSA-N 0 3 221.319 3.237 20 0 BGADHN C[C@@H](c1ccccc1)N1CC[C@](C)(F)C1 ZINC000347348811 386344191 /nfs/dbraw/zinc/34/41/91/386344191.db2.gz HSJVQTCOUPWQEN-AAEUAGOBSA-N 0 3 207.292 3.182 20 0 BGADHN C[C@H](c1ccccc1)N1CC[C@@](C)(F)C1 ZINC000347348813 386343060 /nfs/dbraw/zinc/34/30/60/386343060.db2.gz HSJVQTCOUPWQEN-DGCLKSJQSA-N 0 3 207.292 3.182 20 0 BGADHN C[C@@H](c1ccccc1)N1CC[C@@](C)(F)C1 ZINC000347348814 386344000 /nfs/dbraw/zinc/34/40/00/386344000.db2.gz HSJVQTCOUPWQEN-WCQYABFASA-N 0 3 207.292 3.182 20 0 BGADHN C[C@H](c1ccccc1)N1CC[C@](C)(F)C1 ZINC000347348817 386344262 /nfs/dbraw/zinc/34/42/62/386344262.db2.gz HSJVQTCOUPWQEN-YPMHNXCESA-N 0 3 207.292 3.182 20 0 BGADHN CN(Cc1ccco1)[C@@H]1CCC(C)(C)C1 ZINC000347353643 386392955 /nfs/dbraw/zinc/39/29/55/386392955.db2.gz PIVAEVASVHFLKL-LLVKDONJSA-N 0 3 207.317 3.290 20 0 BGADHN CN(Cc1ccco1)[C@H]1CCC(C)(C)C1 ZINC000347353646 386392119 /nfs/dbraw/zinc/39/21/19/386392119.db2.gz PIVAEVASVHFLKL-NSHDSACASA-N 0 3 207.317 3.290 20 0 BGADHN Cc1cccc(CN(C)[C@H]2CCC(C)(C)C2)n1 ZINC000347355037 386392636 /nfs/dbraw/zinc/39/26/36/386392636.db2.gz QHROTXAXESAKMT-AWEZNQCLSA-N 0 3 232.371 3.401 20 0 BGADHN Cc1cccc(CN(C)[C@@H]2CCC(C)(C)C2)n1 ZINC000347355041 386392876 /nfs/dbraw/zinc/39/28/76/386392876.db2.gz QHROTXAXESAKMT-CQSZACIVSA-N 0 3 232.371 3.401 20 0 BGADHN CCN(CCOC)Cc1ccc(C(F)F)cc1 ZINC000347370295 386369309 /nfs/dbraw/zinc/36/93/09/386369309.db2.gz LQTOYTCZHDUYJF-UHFFFAOYSA-N 0 3 243.297 3.093 20 0 BGADHN CCCCN(Cc1cccc(C)n1)C1CC1 ZINC000347371344 386370754 /nfs/dbraw/zinc/37/07/54/386370754.db2.gz VZSFHRXBEIWRLY-UHFFFAOYSA-N 0 3 218.344 3.155 20 0 BGADHN COCCCCCN1CC[C@H]1c1ccccc1 ZINC000347375750 386371816 /nfs/dbraw/zinc/37/18/16/386371816.db2.gz KOPQEQBQUNPTBK-HNNXBMFYSA-N 0 3 233.355 3.250 20 0 BGADHN COCCCCCN1CC[C@@H]1c1ccccc1 ZINC000347375751 386370278 /nfs/dbraw/zinc/37/02/78/386370278.db2.gz KOPQEQBQUNPTBK-OAHLLOKOSA-N 0 3 233.355 3.250 20 0 BGADHN Cc1cccc(CN(CC(C)C)C2CC2)n1 ZINC000347378797 386373923 /nfs/dbraw/zinc/37/39/23/386373923.db2.gz FMXPDIGSVQOSNT-UHFFFAOYSA-N 0 3 218.344 3.010 20 0 BGADHN CCN(CCOC)Cc1ccc(Cl)cc1C ZINC000347380641 386372788 /nfs/dbraw/zinc/37/27/88/386372788.db2.gz SRYYCFCHXXLQSB-UHFFFAOYSA-N 0 3 241.762 3.117 20 0 BGADHN Cc1cccc(CN([C@H](C)C2CC2)C2CC2)n1 ZINC000347384617 386377806 /nfs/dbraw/zinc/37/78/06/386377806.db2.gz NGOVKTDLCAEMIL-GFCCVEGCSA-N 0 3 230.355 3.153 20 0 BGADHN Cc1cccc(CN([C@@H](C)C2CC2)C2CC2)n1 ZINC000347384618 386377229 /nfs/dbraw/zinc/37/72/29/386377229.db2.gz NGOVKTDLCAEMIL-LBPRGKRZSA-N 0 3 230.355 3.153 20 0 BGADHN CCCCN(CC)Cc1cccc(C)n1 ZINC000347390098 386378749 /nfs/dbraw/zinc/37/87/49/386378749.db2.gz VPUQQZJRARBSQN-UHFFFAOYSA-N 0 3 206.333 3.012 20 0 BGADHN Cc1cccc(CN(CCC(C)C)C2CC2)n1 ZINC000347391318 386378393 /nfs/dbraw/zinc/37/83/93/386378393.db2.gz WSMXWWKJBXGDLW-UHFFFAOYSA-N 0 3 232.371 3.401 20 0 BGADHN CN(CC[C@H]1CCCCO1)Cc1cccs1 ZINC000347395298 386382720 /nfs/dbraw/zinc/38/27/20/386382720.db2.gz RJFKEOCIAGANBZ-GFCCVEGCSA-N 0 3 239.384 3.139 20 0 BGADHN CN(CC[C@@H]1CCCCO1)Cc1cccs1 ZINC000347395299 386382113 /nfs/dbraw/zinc/38/21/13/386382113.db2.gz RJFKEOCIAGANBZ-LBPRGKRZSA-N 0 3 239.384 3.139 20 0 BGADHN CC(C)CSCCCN1CC[C@@](C)(F)C1 ZINC000347397229 386385726 /nfs/dbraw/zinc/38/57/26/386385726.db2.gz YZGGYTZMYFBAKD-GFCCVEGCSA-N 0 3 233.396 3.200 20 0 BGADHN CC(C)CSCCCN1CC[C@](C)(F)C1 ZINC000347397234 386385244 /nfs/dbraw/zinc/38/52/44/386385244.db2.gz YZGGYTZMYFBAKD-LBPRGKRZSA-N 0 3 233.396 3.200 20 0 BGADHN C[C@]1(F)CCN(Cc2cccc3cccnc32)C1 ZINC000347398168 386385760 /nfs/dbraw/zinc/38/57/60/386385760.db2.gz XANLBFGFDIPRLY-HNNXBMFYSA-N 0 3 244.313 3.169 20 0 BGADHN C[C@@]1(F)CCN(Cc2cccc3cccnc32)C1 ZINC000347398174 386385692 /nfs/dbraw/zinc/38/56/92/386385692.db2.gz XANLBFGFDIPRLY-OAHLLOKOSA-N 0 3 244.313 3.169 20 0 BGADHN C[C@H](c1ccco1)N(C)CC[C@H]1CCCCO1 ZINC000347398935 386385790 /nfs/dbraw/zinc/38/57/90/386385790.db2.gz JZQQEYZDBOABKE-CHWSQXEVSA-N 0 3 237.343 3.232 20 0 BGADHN C[C@H](c1ccco1)N(C)CC[C@@H]1CCCCO1 ZINC000347398936 386385716 /nfs/dbraw/zinc/38/57/16/386385716.db2.gz JZQQEYZDBOABKE-OLZOCXBDSA-N 0 3 237.343 3.232 20 0 BGADHN C[C@@H](c1ccco1)N(C)CC[C@H]1CCCCO1 ZINC000347398937 386385464 /nfs/dbraw/zinc/38/54/64/386385464.db2.gz JZQQEYZDBOABKE-QWHCGFSZSA-N 0 3 237.343 3.232 20 0 BGADHN C[C@@H](c1ccco1)N(C)CC[C@@H]1CCCCO1 ZINC000347398938 386385852 /nfs/dbraw/zinc/38/58/52/386385852.db2.gz JZQQEYZDBOABKE-STQMWFEESA-N 0 3 237.343 3.232 20 0 BGADHN COC1CC(NCc2oc3ccccc3c2C)C1 ZINC000347407836 386390511 /nfs/dbraw/zinc/39/05/11/386390511.db2.gz GAEOKKBERRNQDZ-UHFFFAOYSA-N 0 3 245.322 3.008 20 0 BGADHN Cc1ccc(C)c(CN2CC[C@](C)(F)C2)c1 ZINC000347408118 386389365 /nfs/dbraw/zinc/38/93/65/386389365.db2.gz LILWCVKUXSDFQU-AWEZNQCLSA-N 0 3 221.319 3.237 20 0 BGADHN Cc1ccc(C)c(CN2CC[C@@](C)(F)C2)c1 ZINC000347408121 386390311 /nfs/dbraw/zinc/39/03/11/386390311.db2.gz LILWCVKUXSDFQU-CQSZACIVSA-N 0 3 221.319 3.237 20 0 BGADHN c1ccc([C@@H]2CCN2CC[C@H]2CCCCO2)cc1 ZINC000347431116 386401898 /nfs/dbraw/zinc/40/18/98/386401898.db2.gz DFQROIFFXQLZDP-CVEARBPZSA-N 0 3 245.366 3.393 20 0 BGADHN c1ccc([C@@H]2CCN2CC[C@@H]2CCCCO2)cc1 ZINC000347431117 386401561 /nfs/dbraw/zinc/40/15/61/386401561.db2.gz DFQROIFFXQLZDP-HOTGVXAUSA-N 0 3 245.366 3.393 20 0 BGADHN c1ccc([C@H]2CCN2CC[C@H]2CCCCO2)cc1 ZINC000347431118 386401988 /nfs/dbraw/zinc/40/19/88/386401988.db2.gz DFQROIFFXQLZDP-HZPDHXFCSA-N 0 3 245.366 3.393 20 0 BGADHN c1ccc([C@H]2CCN2CC[C@@H]2CCCCO2)cc1 ZINC000347431119 386401435 /nfs/dbraw/zinc/40/14/35/386401435.db2.gz DFQROIFFXQLZDP-JKSUJKDBSA-N 0 3 245.366 3.393 20 0 BGADHN CCOC1CC(N(C)C/C=C/c2ccccc2)C1 ZINC000347458943 386412801 /nfs/dbraw/zinc/41/28/01/386412801.db2.gz WCSOAWLBNBLMMX-JXMROGBWSA-N 0 3 245.366 3.199 20 0 BGADHN CCOC1CC(N(C)C/C=C\c2ccccc2)C1 ZINC000347458947 386412779 /nfs/dbraw/zinc/41/27/79/386412779.db2.gz WCSOAWLBNBLMMX-YFHOEESVSA-N 0 3 245.366 3.199 20 0 BGADHN C[C@@H](c1ccncc1)N(C)CC[C@H]1CCCCO1 ZINC000347483907 386438329 /nfs/dbraw/zinc/43/83/29/386438329.db2.gz ILJHFPFTVSNLQC-DZGCQCFKSA-N 0 3 248.370 3.034 20 0 BGADHN C[C@H](c1ccncc1)N(C)CC[C@@H]1CCCCO1 ZINC000347483909 386439047 /nfs/dbraw/zinc/43/90/47/386439047.db2.gz ILJHFPFTVSNLQC-HIFRSBDPSA-N 0 3 248.370 3.034 20 0 BGADHN C[C@H](c1ccncc1)N(C)CC[C@H]1CCCCO1 ZINC000347483911 386437995 /nfs/dbraw/zinc/43/79/95/386437995.db2.gz ILJHFPFTVSNLQC-UKRRQHHQSA-N 0 3 248.370 3.034 20 0 BGADHN C[C@@H](c1ccncc1)N(C)CC[C@@H]1CCCCO1 ZINC000347483912 386438443 /nfs/dbraw/zinc/43/84/43/386438443.db2.gz ILJHFPFTVSNLQC-ZFWWWQNUSA-N 0 3 248.370 3.034 20 0 BGADHN C[C@@H](c1cccnc1)N(C)CC[C@H]1CCCCO1 ZINC000347501788 386425988 /nfs/dbraw/zinc/42/59/88/386425988.db2.gz YLQJZBKKUXKZMD-DZGCQCFKSA-N 0 3 248.370 3.034 20 0 BGADHN C[C@H](c1cccnc1)N(C)CC[C@@H]1CCCCO1 ZINC000347501793 386425384 /nfs/dbraw/zinc/42/53/84/386425384.db2.gz YLQJZBKKUXKZMD-HIFRSBDPSA-N 0 3 248.370 3.034 20 0 BGADHN C[C@H](c1cccnc1)N(C)CC[C@H]1CCCCO1 ZINC000347501798 386424080 /nfs/dbraw/zinc/42/40/80/386424080.db2.gz YLQJZBKKUXKZMD-UKRRQHHQSA-N 0 3 248.370 3.034 20 0 BGADHN C[C@@H](c1cccnc1)N(C)CC[C@@H]1CCCCO1 ZINC000347501804 386424129 /nfs/dbraw/zinc/42/41/29/386424129.db2.gz YLQJZBKKUXKZMD-ZFWWWQNUSA-N 0 3 248.370 3.034 20 0 BGADHN C[C@@H](c1ccccn1)N(C)CC[C@@H]1CCCCO1 ZINC000347502546 386423945 /nfs/dbraw/zinc/42/39/45/386423945.db2.gz ZYTVNMPRNMCZEV-KBPBESRZSA-N 0 3 248.370 3.034 20 0 BGADHN C[C@H](c1ccccn1)N(C)CC[C@@H]1CCCCO1 ZINC000347502549 386424892 /nfs/dbraw/zinc/42/48/92/386424892.db2.gz ZYTVNMPRNMCZEV-KGLIPLIRSA-N 0 3 248.370 3.034 20 0 BGADHN C[C@@H](c1ccccn1)N(C)CC[C@H]1CCCCO1 ZINC000347502550 386424035 /nfs/dbraw/zinc/42/40/35/386424035.db2.gz ZYTVNMPRNMCZEV-UONOGXRCSA-N 0 3 248.370 3.034 20 0 BGADHN C[C@H](c1ccccn1)N(C)CC[C@H]1CCCCO1 ZINC000347502553 386424578 /nfs/dbraw/zinc/42/45/78/386424578.db2.gz ZYTVNMPRNMCZEV-ZIAGYGMSSA-N 0 3 248.370 3.034 20 0 BGADHN COc1ccnc(CN[C@H](C)C2CCCCC2)c1 ZINC000347522130 386429914 /nfs/dbraw/zinc/42/99/14/386429914.db2.gz BAQVQKHLTHVSNR-GFCCVEGCSA-N 0 3 248.370 3.149 20 0 BGADHN COc1ccnc(CN[C@@H](C)C2CCCCC2)c1 ZINC000347522138 386430436 /nfs/dbraw/zinc/43/04/36/386430436.db2.gz BAQVQKHLTHVSNR-LBPRGKRZSA-N 0 3 248.370 3.149 20 0 BGADHN CC(C)n1ccc(CNC2[C@H](C)CCC[C@H]2C)n1 ZINC000347538005 386443779 /nfs/dbraw/zinc/44/37/79/386443779.db2.gz JLARNPQBVQKIBF-CHWSQXEVSA-N 0 3 249.402 3.378 20 0 BGADHN CC(C)n1ccc(CN[C@H]2[C@H](C)CCC[C@@H]2C)n1 ZINC000347538006 386443132 /nfs/dbraw/zinc/44/31/32/386443132.db2.gz JLARNPQBVQKIBF-NHAGDIPZSA-N 0 3 249.402 3.378 20 0 BGADHN CC(C)n1ccc(CNC2[C@@H](C)CCC[C@@H]2C)n1 ZINC000347538008 386444571 /nfs/dbraw/zinc/44/45/71/386444571.db2.gz JLARNPQBVQKIBF-STQMWFEESA-N 0 3 249.402 3.378 20 0 BGADHN CC1CCC(CN2CCC[C@@H]2c2ncc[nH]2)CC1 ZINC000347538015 386443596 /nfs/dbraw/zinc/44/35/96/386443596.db2.gz JNQMOAWLVUSWPL-JXQTWKCFSA-N 0 3 247.386 3.373 20 0 BGADHN CC1CCC(CN2CCC[C@H]2c2ncc[nH]2)CC1 ZINC000347538016 386443660 /nfs/dbraw/zinc/44/36/60/386443660.db2.gz JNQMOAWLVUSWPL-RUXDESIVSA-N 0 3 247.386 3.373 20 0 BGADHN CC[C@H](c1ccccc1OC)N(C)CCCF ZINC000347540037 386445316 /nfs/dbraw/zinc/44/53/16/386445316.db2.gz MBBOCFWWZPIOBO-CYBMUJFWSA-N 0 3 239.334 3.438 20 0 BGADHN CC[C@@H](c1ccccc1OC)N(C)CCCF ZINC000347540040 386444186 /nfs/dbraw/zinc/44/41/86/386444186.db2.gz MBBOCFWWZPIOBO-ZDUSSCGKSA-N 0 3 239.334 3.438 20 0 BGADHN C[C@@H]1CCC[C@@H](C)C1NCc1ncc(C2CC2)o1 ZINC000347554212 386449905 /nfs/dbraw/zinc/44/99/05/386449905.db2.gz JQWWCNCDHJOZRT-GHMZBOCLSA-N 0 3 248.370 3.466 20 0 BGADHN C[C@@H]1CCC[C@H](C)[C@H]1NCc1ncc(C2CC2)o1 ZINC000347554216 386449612 /nfs/dbraw/zinc/44/96/12/386449612.db2.gz JQWWCNCDHJOZRT-HBYGRHMLSA-N 0 3 248.370 3.466 20 0 BGADHN C[C@H]1CCC[C@H](C)C1NCc1ncc(C2CC2)o1 ZINC000347554221 386450153 /nfs/dbraw/zinc/45/01/53/386450153.db2.gz JQWWCNCDHJOZRT-QWRGUYRKSA-N 0 3 248.370 3.466 20 0 BGADHN CC[C@H](c1ccccc1OC)N(C)CC ZINC000347554628 386450791 /nfs/dbraw/zinc/45/07/91/386450791.db2.gz JBSLGAWFZHPYAN-GFCCVEGCSA-N 0 3 207.317 3.098 20 0 BGADHN CC[C@@H](c1ccccc1OC)N(C)CC ZINC000347554630 386450662 /nfs/dbraw/zinc/45/06/62/386450662.db2.gz JBSLGAWFZHPYAN-LBPRGKRZSA-N 0 3 207.317 3.098 20 0 BGADHN COc1cc([C@H](C)NCc2cccs2)ccn1 ZINC000347573383 386454671 /nfs/dbraw/zinc/45/46/71/386454671.db2.gz ZVEJXRVNGKNPSD-JTQLQIEISA-N 0 3 248.351 3.003 20 0 BGADHN COc1cc([C@@H](C)NCc2cccs2)ccn1 ZINC000347573384 386454801 /nfs/dbraw/zinc/45/48/01/386454801.db2.gz ZVEJXRVNGKNPSD-SNVBAGLBSA-N 0 3 248.351 3.003 20 0 BGADHN C[C@@H]1C[C@H](C(C)(C)C)CCN1Cc1cncn1C ZINC000347578297 386459288 /nfs/dbraw/zinc/45/92/88/386459288.db2.gz BDTRGTOSQCATPQ-CHWSQXEVSA-N 0 3 249.402 3.067 20 0 BGADHN C[C@@H]1C[C@@H](C(C)(C)C)CCN1Cc1cncn1C ZINC000347578300 386457790 /nfs/dbraw/zinc/45/77/90/386457790.db2.gz BDTRGTOSQCATPQ-OLZOCXBDSA-N 0 3 249.402 3.067 20 0 BGADHN C[C@H]1C[C@H](C(C)(C)C)CCN1Cc1cncn1C ZINC000347578301 386457070 /nfs/dbraw/zinc/45/70/70/386457070.db2.gz BDTRGTOSQCATPQ-QWHCGFSZSA-N 0 3 249.402 3.067 20 0 BGADHN C[C@H]1C[C@@H](C(C)(C)C)CCN1Cc1cncn1C ZINC000347578304 386456953 /nfs/dbraw/zinc/45/69/53/386456953.db2.gz BDTRGTOSQCATPQ-STQMWFEESA-N 0 3 249.402 3.067 20 0 BGADHN CCC[C@@H](C)N(C)Cc1ccc(CC)nc1 ZINC000347580420 386457698 /nfs/dbraw/zinc/45/76/98/386457698.db2.gz GGWDEAYBNTXNAE-GFCCVEGCSA-N 0 3 220.360 3.264 20 0 BGADHN CCC[C@H](C)N(C)Cc1ccc(CC)nc1 ZINC000347580421 386458448 /nfs/dbraw/zinc/45/84/48/386458448.db2.gz GGWDEAYBNTXNAE-LBPRGKRZSA-N 0 3 220.360 3.264 20 0 BGADHN C[C@@H]1C[C@H](C(C)(C)C)CCN1Cc1ccnn1C ZINC000347580623 386458907 /nfs/dbraw/zinc/45/89/07/386458907.db2.gz MSEJCCLOEQFEJR-CHWSQXEVSA-N 0 3 249.402 3.067 20 0 BGADHN C[C@@H]1C[C@@H](C(C)(C)C)CCN1Cc1ccnn1C ZINC000347580624 386457947 /nfs/dbraw/zinc/45/79/47/386457947.db2.gz MSEJCCLOEQFEJR-OLZOCXBDSA-N 0 3 249.402 3.067 20 0 BGADHN C[C@H]1C[C@H](C(C)(C)C)CCN1Cc1ccnn1C ZINC000347580626 386457584 /nfs/dbraw/zinc/45/75/84/386457584.db2.gz MSEJCCLOEQFEJR-QWHCGFSZSA-N 0 3 249.402 3.067 20 0 BGADHN C[C@H]1C[C@@H](C(C)(C)C)CCN1Cc1ccnn1C ZINC000347580627 386456895 /nfs/dbraw/zinc/45/68/95/386456895.db2.gz MSEJCCLOEQFEJR-STQMWFEESA-N 0 3 249.402 3.067 20 0 BGADHN CCc1ccc(CN2CCC[C@@H](CC)C2)cn1 ZINC000347584145 355246177 /nfs/dbraw/zinc/24/61/77/355246177.db2.gz JWUAWCCJZUSVIW-CYBMUJFWSA-N 0 3 232.371 3.266 20 0 BGADHN CCc1ccc(CN2CCC[C@H](CC)C2)cn1 ZINC000347584148 355246349 /nfs/dbraw/zinc/24/63/49/355246349.db2.gz JWUAWCCJZUSVIW-ZDUSSCGKSA-N 0 3 232.371 3.266 20 0 BGADHN C[C@@H]1CCN(Cc2ccccc2F)C[C@@H]1C ZINC000347589883 355247708 /nfs/dbraw/zinc/24/77/08/355247708.db2.gz LCGSQWGLUZTXHO-NEPJUHHUSA-N 0 3 221.319 3.304 20 0 BGADHN C[C@H]1CCN(Cc2ccccc2F)C[C@H]1C ZINC000347589884 355248077 /nfs/dbraw/zinc/24/80/77/355248077.db2.gz LCGSQWGLUZTXHO-NWDGAFQWSA-N 0 3 221.319 3.304 20 0 BGADHN C[C@H]1CN(Cc2ccccc2F)CC[C@@H]1C ZINC000347589885 355247953 /nfs/dbraw/zinc/24/79/53/355247953.db2.gz LCGSQWGLUZTXHO-RYUDHWBXSA-N 0 3 221.319 3.304 20 0 BGADHN C[C@@H]1CCN(Cc2ccccc2F)C[C@H]1C ZINC000347589887 355248295 /nfs/dbraw/zinc/24/82/95/355248295.db2.gz LCGSQWGLUZTXHO-VXGBXAGGSA-N 0 3 221.319 3.304 20 0 BGADHN C[C@H]1C[C@H](C(C)(C)C)CCN1Cc1cnn(C)c1 ZINC000347591017 355249304 /nfs/dbraw/zinc/24/93/04/355249304.db2.gz YRFJAYIFIMATGI-GXTWGEPZSA-N 0 3 249.402 3.067 20 0 BGADHN C[C@H]1C[C@@H](C(C)(C)C)CCN1Cc1cnn(C)c1 ZINC000347591018 355249509 /nfs/dbraw/zinc/24/95/09/355249509.db2.gz YRFJAYIFIMATGI-JSGCOSHPSA-N 0 3 249.402 3.067 20 0 BGADHN C[C@@H]1C[C@@H](C(C)(C)C)CCN1Cc1cnn(C)c1 ZINC000347591020 355249421 /nfs/dbraw/zinc/24/94/21/355249421.db2.gz YRFJAYIFIMATGI-OCCSQVGLSA-N 0 3 249.402 3.067 20 0 BGADHN C[C@@H]1C[C@H](C(C)(C)C)CCN1Cc1cnn(C)c1 ZINC000347591021 355248888 /nfs/dbraw/zinc/24/88/88/355248888.db2.gz YRFJAYIFIMATGI-TZMCWYRMSA-N 0 3 249.402 3.067 20 0 BGADHN CN(C/C=C\c1ccc(F)c(F)c1)C1CC1 ZINC000347591880 355249235 /nfs/dbraw/zinc/24/92/35/355249235.db2.gz PKTCYZRNVUVZMF-IHWYPQMZSA-N 0 3 223.266 3.072 20 0 BGADHN CCC1CCC(N(C)Cc2c(C)cnn2C)CC1 ZINC000347596215 355250925 /nfs/dbraw/zinc/25/09/25/355250925.db2.gz MKFPDJXLTOZVPS-UHFFFAOYSA-N 0 3 249.402 3.129 20 0 BGADHN CCc1ccc(CN(C)C[C@H](C)CC)cn1 ZINC000347600056 355252033 /nfs/dbraw/zinc/25/20/33/355252033.db2.gz ZHUSYSHKTUBUIS-GFCCVEGCSA-N 0 3 220.360 3.122 20 0 BGADHN CCc1ccc(CN(C)C[C@@H](C)CC)cn1 ZINC000347600059 355252107 /nfs/dbraw/zinc/25/21/07/355252107.db2.gz ZHUSYSHKTUBUIS-LBPRGKRZSA-N 0 3 220.360 3.122 20 0 BGADHN CCCN(Cc1ccc(CC)nc1)C1CC1 ZINC000347600585 355252911 /nfs/dbraw/zinc/25/29/11/355252911.db2.gz AFEMDRBVKVGEMQ-UHFFFAOYSA-N 0 3 218.344 3.018 20 0 BGADHN COCCN(Cc1ccc2occc2c1)C1CC1 ZINC000347603519 355253730 /nfs/dbraw/zinc/25/37/30/355253730.db2.gz DDJBUBXITYYIDU-UHFFFAOYSA-N 0 3 245.322 3.044 20 0 BGADHN CCCCN(Cc1ccc(CC)nc1)C1CC1 ZINC000347615908 355236727 /nfs/dbraw/zinc/23/67/27/355236727.db2.gz RNPKZKOGGDYPOD-UHFFFAOYSA-N 0 3 232.371 3.409 20 0 BGADHN CCC(C)(C)CCN[C@H](COC)c1ccco1 ZINC000347617166 355236575 /nfs/dbraw/zinc/23/65/75/355236575.db2.gz MGKMAOVYCYUYKI-GFCCVEGCSA-N 0 3 239.359 3.383 20 0 BGADHN CCC(C)(C)CCN[C@@H](COC)c1ccco1 ZINC000347617168 355236669 /nfs/dbraw/zinc/23/66/69/355236669.db2.gz MGKMAOVYCYUYKI-LBPRGKRZSA-N 0 3 239.359 3.383 20 0 BGADHN CCCCCN(Cc1c(C)cnn1C)C(C)C ZINC000347621048 355238104 /nfs/dbraw/zinc/23/81/04/355238104.db2.gz YYFIEZDHJRCNGI-UHFFFAOYSA-N 0 3 237.391 3.129 20 0 BGADHN C[C@@H]1C[C@@H](C(C)(C)C)CCN1Cc1cnc[nH]1 ZINC000347622168 355238021 /nfs/dbraw/zinc/23/80/21/355238021.db2.gz VTPJPUXMMOWBIK-NEPJUHHUSA-N 0 3 235.375 3.056 20 0 BGADHN C[C@@H]1C[C@@H](C(C)(C)C)CCN1Cc1c[nH]cn1 ZINC000347622168 355238019 /nfs/dbraw/zinc/23/80/19/355238019.db2.gz VTPJPUXMMOWBIK-NEPJUHHUSA-N 0 3 235.375 3.056 20 0 BGADHN C[C@H]1C[C@H](C(C)(C)C)CCN1Cc1cnc[nH]1 ZINC000347622169 355238368 /nfs/dbraw/zinc/23/83/68/355238368.db2.gz VTPJPUXMMOWBIK-NWDGAFQWSA-N 0 3 235.375 3.056 20 0 BGADHN C[C@H]1C[C@H](C(C)(C)C)CCN1Cc1c[nH]cn1 ZINC000347622169 355238367 /nfs/dbraw/zinc/23/83/67/355238367.db2.gz VTPJPUXMMOWBIK-NWDGAFQWSA-N 0 3 235.375 3.056 20 0 BGADHN C[C@H]1C[C@@H](C(C)(C)C)CCN1Cc1cnc[nH]1 ZINC000347622170 355238319 /nfs/dbraw/zinc/23/83/19/355238319.db2.gz VTPJPUXMMOWBIK-RYUDHWBXSA-N 0 3 235.375 3.056 20 0 BGADHN C[C@H]1C[C@@H](C(C)(C)C)CCN1Cc1c[nH]cn1 ZINC000347622170 355238315 /nfs/dbraw/zinc/23/83/15/355238315.db2.gz VTPJPUXMMOWBIK-RYUDHWBXSA-N 0 3 235.375 3.056 20 0 BGADHN C[C@@H]1C[C@H](C(C)(C)C)CCN1Cc1cnc[nH]1 ZINC000347622171 355238558 /nfs/dbraw/zinc/23/85/58/355238558.db2.gz VTPJPUXMMOWBIK-VXGBXAGGSA-N 0 3 235.375 3.056 20 0 BGADHN C[C@@H]1C[C@H](C(C)(C)C)CCN1Cc1c[nH]cn1 ZINC000347622171 355238554 /nfs/dbraw/zinc/23/85/54/355238554.db2.gz VTPJPUXMMOWBIK-VXGBXAGGSA-N 0 3 235.375 3.056 20 0 BGADHN CCc1ccc(CN(C)CC(C)(C)C)cn1 ZINC000347636601 355243307 /nfs/dbraw/zinc/24/33/07/355243307.db2.gz JIVBSHJAVGBNMR-UHFFFAOYSA-N 0 3 220.360 3.122 20 0 BGADHN CCc1ccc(CN2C[C@H](C)C[C@H](C)C2)cn1 ZINC000347637413 355243277 /nfs/dbraw/zinc/24/32/77/355243277.db2.gz LFZQVDOMZKPRCL-BETUJISGSA-N 0 3 232.371 3.122 20 0 BGADHN CCc1ccc(CN2C[C@H](C)C[C@@H](C)C2)cn1 ZINC000347637414 355243332 /nfs/dbraw/zinc/24/33/32/355243332.db2.gz LFZQVDOMZKPRCL-CHWSQXEVSA-N 0 3 232.371 3.122 20 0 BGADHN CCc1ccc(CN2C[C@@H](C)C[C@H](C)C2)cn1 ZINC000347637415 355243689 /nfs/dbraw/zinc/24/36/89/355243689.db2.gz LFZQVDOMZKPRCL-STQMWFEESA-N 0 3 232.371 3.122 20 0 BGADHN CSC1(CN(C)Cc2ccc(F)cc2)CC1 ZINC000347645760 136000129 /nfs/dbraw/zinc/00/01/29/136000129.db2.gz WCILLZBIMYARJH-UHFFFAOYSA-N 0 3 239.359 3.153 20 0 BGADHN CCc1ccc(CN(CC(C)C)C2CC2)cn1 ZINC000347647482 536172233 /nfs/dbraw/zinc/17/22/33/536172233.db2.gz LIICBMWYONNGRH-UHFFFAOYSA-N 0 3 232.371 3.264 20 0 BGADHN CCc1ccc(CN2CCC(CC)CC2)cn1 ZINC000347648198 136000600 /nfs/dbraw/zinc/00/06/00/136000600.db2.gz BVQSAJPTMCHWOI-UHFFFAOYSA-N 0 3 232.371 3.266 20 0 BGADHN CC[C@@H](C)[C@@H](C)NCc1nc2cccnc2s1 ZINC000347649016 535644331 /nfs/dbraw/zinc/64/43/31/535644331.db2.gz MWQBBGPSRVLPCM-NXEZZACHSA-N 0 3 249.383 3.216 20 0 BGADHN CC[C@H](C)[C@H](C)NCc1nc2cccnc2s1 ZINC000347649019 136000704 /nfs/dbraw/zinc/00/07/04/136000704.db2.gz MWQBBGPSRVLPCM-UWVGGRQHSA-N 0 3 249.383 3.216 20 0 BGADHN CC[C@H](C)[C@@H](C)NCc1nc2cccnc2s1 ZINC000347649022 136000698 /nfs/dbraw/zinc/00/06/98/136000698.db2.gz MWQBBGPSRVLPCM-VHSXEESVSA-N 0 3 249.383 3.216 20 0 BGADHN CC[C@@H](C)[C@H](C)NCc1nc2cccnc2s1 ZINC000347649025 136000607 /nfs/dbraw/zinc/00/06/07/136000607.db2.gz MWQBBGPSRVLPCM-ZJUUUORDSA-N 0 3 249.383 3.216 20 0 BGADHN CCc1ccc(CN(C(C)C)C2CC2)cn1 ZINC000347653245 136001776 /nfs/dbraw/zinc/00/17/76/136001776.db2.gz RHUPPAYVCVIYPA-UHFFFAOYSA-N 0 3 218.344 3.017 20 0 BGADHN CCc1ccc(CN2CCCC[C@@H]2CC)cn1 ZINC000347653665 136001569 /nfs/dbraw/zinc/00/15/69/136001569.db2.gz OJZOSURCEDJBNB-HNNXBMFYSA-N 0 3 232.371 3.409 20 0 BGADHN CCc1ccc(CN2CCCC[C@H]2CC)cn1 ZINC000347653667 136001537 /nfs/dbraw/zinc/00/15/37/136001537.db2.gz OJZOSURCEDJBNB-OAHLLOKOSA-N 0 3 232.371 3.409 20 0 BGADHN CCc1ccc(CN2CCCC(C)(C)C2)cn1 ZINC000347666430 355256768 /nfs/dbraw/zinc/25/67/68/355256768.db2.gz OCLWIWTZIGREPP-UHFFFAOYSA-N 0 3 232.371 3.266 20 0 BGADHN CCc1ccc(CN2CCCCCC2)cn1 ZINC000347669353 355258982 /nfs/dbraw/zinc/25/89/82/355258982.db2.gz GQHOSXJTFHCOHD-UHFFFAOYSA-N 0 3 218.344 3.020 20 0 BGADHN CN(CCCC1CCCCC1)Cc1cnn(C)c1 ZINC000347672015 355261209 /nfs/dbraw/zinc/26/12/09/355261209.db2.gz ILJSVENDNMGXLQ-UHFFFAOYSA-N 0 3 249.402 3.212 20 0 BGADHN CC[C@H](C)CN(CC)Cc1ccn(C(F)F)n1 ZINC000347672620 355260852 /nfs/dbraw/zinc/26/08/52/355260852.db2.gz CZVBWFQUAVPYIH-JTQLQIEISA-N 0 3 245.317 3.146 20 0 BGADHN CC[C@@H](C)CN(CC)Cc1ccn(C(F)F)n1 ZINC000347672621 355261013 /nfs/dbraw/zinc/26/10/13/355261013.db2.gz CZVBWFQUAVPYIH-SNVBAGLBSA-N 0 3 245.317 3.146 20 0 BGADHN CN(CCC1CCCCCC1)Cc1cnn(C)c1 ZINC000347673537 355261559 /nfs/dbraw/zinc/26/15/59/355261559.db2.gz KHKVSUSZZSICRV-UHFFFAOYSA-N 0 3 249.402 3.212 20 0 BGADHN CCc1ccc(CN2CCCC[C@H]2C)cn1 ZINC000347675378 355262555 /nfs/dbraw/zinc/26/25/55/355262555.db2.gz PECHJQKESWXZRT-GFCCVEGCSA-N 0 3 218.344 3.018 20 0 BGADHN CCc1ccc(CN2CCCC[C@@H]2C)cn1 ZINC000347675380 355262337 /nfs/dbraw/zinc/26/23/37/355262337.db2.gz PECHJQKESWXZRT-LBPRGKRZSA-N 0 3 218.344 3.018 20 0 BGADHN Cc1ccncc1CCCN(C)Cc1ccoc1 ZINC000347676662 355263625 /nfs/dbraw/zinc/26/36/25/355263625.db2.gz VEVYNTDIZAESJH-UHFFFAOYSA-N 0 3 244.338 3.048 20 0 BGADHN CCCCN(CC)Cc1ccc(CC)nc1 ZINC000347688628 136005237 /nfs/dbraw/zinc/00/52/37/136005237.db2.gz VHLRUZVRABMVKW-UHFFFAOYSA-N 0 3 220.360 3.266 20 0 BGADHN CC(C)CN(Cc1ccn(C(F)F)n1)C(C)C ZINC000347689800 535059817 /nfs/dbraw/zinc/05/98/17/535059817.db2.gz SPXDIMGCXCMMEG-UHFFFAOYSA-N 0 3 245.317 3.145 20 0 BGADHN CCN(Cc1ccn(C(F)F)n1)[C@@H](C)C(C)C ZINC000347704050 136007641 /nfs/dbraw/zinc/00/76/41/136007641.db2.gz NRJQSTHCRFGRRU-JTQLQIEISA-N 0 3 245.317 3.145 20 0 BGADHN CCN(Cc1ccn(C(F)F)n1)[C@H](C)C(C)C ZINC000347704052 136007713 /nfs/dbraw/zinc/00/77/13/136007713.db2.gz NRJQSTHCRFGRRU-SNVBAGLBSA-N 0 3 245.317 3.145 20 0 BGADHN CCCN(Cc1ccn(C(F)F)n1)CC(C)C ZINC000347716661 136003140 /nfs/dbraw/zinc/00/31/40/136003140.db2.gz HVZMISBXGHGPGS-UHFFFAOYSA-N 0 3 245.317 3.146 20 0 BGADHN CC1CCN(Cc2ccccc2OC2CC2)CC1 ZINC000347723042 136003529 /nfs/dbraw/zinc/00/35/29/136003529.db2.gz DSOLGOGDZKNETM-UHFFFAOYSA-N 0 3 245.366 3.460 20 0 BGADHN C[C@@H]1CCCN(Cc2ccccc2OC2CC2)C1 ZINC000347733200 136004590 /nfs/dbraw/zinc/00/45/90/136004590.db2.gz OPAJJSCQUKZWBQ-CYBMUJFWSA-N 0 3 245.366 3.460 20 0 BGADHN C[C@H]1CCCN(Cc2ccccc2OC2CC2)C1 ZINC000347733202 136004660 /nfs/dbraw/zinc/00/46/60/136004660.db2.gz OPAJJSCQUKZWBQ-ZDUSSCGKSA-N 0 3 245.366 3.460 20 0 BGADHN C[C@@H]1CCN(Cc2ccccc2OC2CC2)C1 ZINC000347734014 136004711 /nfs/dbraw/zinc/00/47/11/136004711.db2.gz LGBHQKGPDLHYDK-GFCCVEGCSA-N 0 3 231.339 3.070 20 0 BGADHN C[C@H]1CCN(Cc2ccccc2OC2CC2)C1 ZINC000347734018 136004740 /nfs/dbraw/zinc/00/47/40/136004740.db2.gz LGBHQKGPDLHYDK-LBPRGKRZSA-N 0 3 231.339 3.070 20 0 BGADHN COc1c(O)cccc1CN[C@H](C)CCC1CC1 ZINC000347736692 136004349 /nfs/dbraw/zinc/00/43/49/136004349.db2.gz RTWFDZCWWROPRV-LLVKDONJSA-N 0 3 249.354 3.069 20 0 BGADHN COc1c(O)cccc1CN[C@@H](C)CCC1CC1 ZINC000347736694 136004662 /nfs/dbraw/zinc/00/46/62/136004662.db2.gz RTWFDZCWWROPRV-NSHDSACASA-N 0 3 249.354 3.069 20 0 BGADHN CN(Cc1ccco1)CC12CCC(CC1)C2 ZINC000347738059 136005085 /nfs/dbraw/zinc/00/50/85/136005085.db2.gz MUTRBELRYIIKCO-UHFFFAOYSA-N 0 3 219.328 3.292 20 0 BGADHN CC(C)CN(Cc1cnns1)CC(C)(C)C ZINC000347745926 136010602 /nfs/dbraw/zinc/01/06/02/136010602.db2.gz JMVVKKZTJLMPIS-UHFFFAOYSA-N 0 3 241.404 3.042 20 0 BGADHN CCN(Cc1ccccn1)CC12CCC(CC1)C2 ZINC000347750946 136011559 /nfs/dbraw/zinc/01/15/59/136011559.db2.gz PUSXEDFOQBUEAH-UHFFFAOYSA-N 0 3 244.382 3.484 20 0 BGADHN CCC(=O)CCCN(C)[C@H](C)c1cccc(O)c1 ZINC000347759853 136011969 /nfs/dbraw/zinc/01/19/69/136011969.db2.gz SOIPDOFFMFIQRC-GFCCVEGCSA-N 0 3 249.354 3.144 20 0 BGADHN CCC(=O)CCCN(C)[C@@H](C)c1cccc(O)c1 ZINC000347759855 136012010 /nfs/dbraw/zinc/01/20/10/136012010.db2.gz SOIPDOFFMFIQRC-LBPRGKRZSA-N 0 3 249.354 3.144 20 0 BGADHN CCc1ccc(CN2CCC(C)(C)CC2)cn1 ZINC000347777335 136009261 /nfs/dbraw/zinc/00/92/61/136009261.db2.gz IPVFCIGIPIUZDI-UHFFFAOYSA-N 0 3 232.371 3.266 20 0 BGADHN CCc1ccc(CN2CCC[C@@H](C)CC2)cn1 ZINC000347777892 136009529 /nfs/dbraw/zinc/00/95/29/136009529.db2.gz BQVPLAVRGMEPHJ-CYBMUJFWSA-N 0 3 232.371 3.266 20 0 BGADHN CCc1ccc(CN2CCC[C@H](C)CC2)cn1 ZINC000347777894 136009375 /nfs/dbraw/zinc/00/93/75/136009375.db2.gz BQVPLAVRGMEPHJ-ZDUSSCGKSA-N 0 3 232.371 3.266 20 0 BGADHN CC[C@H](C)[C@H](C)N(Cc1c(C)cnn1C)C1CC1 ZINC000347782691 535933404 /nfs/dbraw/zinc/93/34/04/535933404.db2.gz MXZPKAOZMHCVGZ-AAEUAGOBSA-N 0 3 249.402 3.128 20 0 BGADHN CC[C@@H](C)[C@@H](C)N(Cc1c(C)cnn1C)C1CC1 ZINC000347782693 136009386 /nfs/dbraw/zinc/00/93/86/136009386.db2.gz MXZPKAOZMHCVGZ-DGCLKSJQSA-N 0 3 249.402 3.128 20 0 BGADHN CC[C@H](C)[C@@H](C)N(Cc1c(C)cnn1C)C1CC1 ZINC000347782696 535826318 /nfs/dbraw/zinc/82/63/18/535826318.db2.gz MXZPKAOZMHCVGZ-WCQYABFASA-N 0 3 249.402 3.128 20 0 BGADHN CC[C@@H](C)[C@H](C)N(Cc1c(C)cnn1C)C1CC1 ZINC000347782698 136009153 /nfs/dbraw/zinc/00/91/53/136009153.db2.gz MXZPKAOZMHCVGZ-YPMHNXCESA-N 0 3 249.402 3.128 20 0 BGADHN CCOCCN(CC)Cc1ccc2occc2c1 ZINC000347846136 535584897 /nfs/dbraw/zinc/58/48/97/535584897.db2.gz JSYMUEIRCSBZAP-UHFFFAOYSA-N 0 3 247.338 3.291 20 0 BGADHN CCc1ccc(CN(C)CC2CCCC2)cn1 ZINC000347846434 136012314 /nfs/dbraw/zinc/01/23/14/136012314.db2.gz NCGSLLXISAWVOK-UHFFFAOYSA-N 0 3 232.371 3.266 20 0 BGADHN CCc1ccc(CN2CC[C@](C)(CC)C2)cn1 ZINC000347847451 136012330 /nfs/dbraw/zinc/01/23/30/136012330.db2.gz GFOYRLQQWJIQPD-HNNXBMFYSA-N 0 3 232.371 3.266 20 0 BGADHN CCc1ccc(CN2CC[C@@](C)(CC)C2)cn1 ZINC000347847452 536178692 /nfs/dbraw/zinc/17/86/92/536178692.db2.gz GFOYRLQQWJIQPD-OAHLLOKOSA-N 0 3 232.371 3.266 20 0 BGADHN Cc1cc(CN2CC=C(C)CC2)cc(C)c1O ZINC000347848832 136012498 /nfs/dbraw/zinc/01/24/98/136012498.db2.gz BPRLDHQBTGALSO-UHFFFAOYSA-N 0 3 231.339 3.161 20 0 BGADHN CO[C@@H]1CCN([C@@H](C)c2ccc(Cl)cc2)C1 ZINC000347849542 136012339 /nfs/dbraw/zinc/01/23/39/136012339.db2.gz DTWUKHOSIVPOOR-GXFFZTMASA-N 0 3 239.746 3.122 20 0 BGADHN CO[C@@H]1CCN([C@H](C)c2ccc(Cl)cc2)C1 ZINC000347849543 536694128 /nfs/dbraw/zinc/69/41/28/536694128.db2.gz DTWUKHOSIVPOOR-ZWNOBZJWSA-N 0 3 239.746 3.122 20 0 BGADHN CCc1ccc(CN2CCC[C@H]3CCC[C@H]32)cn1 ZINC000347849738 136012309 /nfs/dbraw/zinc/01/23/09/136012309.db2.gz MWAPRKMIXLWYDN-GDBMZVCRSA-N 0 3 244.382 3.409 20 0 BGADHN CCc1ccc(CN2CCC[C@@H]3CCC[C@H]32)cn1 ZINC000347849740 136012209 /nfs/dbraw/zinc/01/22/09/136012209.db2.gz MWAPRKMIXLWYDN-GOEBONIOSA-N 0 3 244.382 3.409 20 0 BGADHN CCc1ccc(CN2CCC[C@@H]3CCC[C@@H]32)cn1 ZINC000347849742 136012287 /nfs/dbraw/zinc/01/22/87/136012287.db2.gz MWAPRKMIXLWYDN-HOCLYGCPSA-N 0 3 244.382 3.409 20 0 BGADHN CCc1ccc(CN2CCC[C@H]3CCC[C@@H]32)cn1 ZINC000347849743 136012565 /nfs/dbraw/zinc/01/25/65/136012565.db2.gz MWAPRKMIXLWYDN-ZBFHGGJFSA-N 0 3 244.382 3.409 20 0 BGADHN CSCCN(C)Cc1ccc2occc2c1 ZINC000347849864 136012355 /nfs/dbraw/zinc/01/23/55/136012355.db2.gz JSTSBDKVEVEZLX-UHFFFAOYSA-N 0 3 235.352 3.228 20 0 BGADHN Cc1cc(CN2CCC23CCC3)cc(C)c1O ZINC000347855272 136014378 /nfs/dbraw/zinc/01/43/78/136014378.db2.gz ADEBSTAXBBCNFR-UHFFFAOYSA-N 0 3 231.339 3.137 20 0 BGADHN CCc1ccc(CN2CCC[C@@H](C)[C@H]2C)cn1 ZINC000347859841 136293567 /nfs/dbraw/zinc/29/35/67/136293567.db2.gz FVYAEELIOZFLLB-CHWSQXEVSA-N 0 3 232.371 3.264 20 0 BGADHN CCc1ccc(CN2CCC[C@@H](C)[C@@H]2C)cn1 ZINC000347859842 136293501 /nfs/dbraw/zinc/29/35/01/136293501.db2.gz FVYAEELIOZFLLB-OLZOCXBDSA-N 0 3 232.371 3.264 20 0 BGADHN CCc1ccc(CN2CCC[C@H](C)[C@H]2C)cn1 ZINC000347859843 136293197 /nfs/dbraw/zinc/29/31/97/136293197.db2.gz FVYAEELIOZFLLB-QWHCGFSZSA-N 0 3 232.371 3.264 20 0 BGADHN CCc1ccc(CN2CCC[C@H](C)[C@@H]2C)cn1 ZINC000347859844 136293126 /nfs/dbraw/zinc/29/31/26/136293126.db2.gz FVYAEELIOZFLLB-STQMWFEESA-N 0 3 232.371 3.264 20 0 BGADHN CCC[C@@]1(C)CCCN(Cc2c(C)cnn2C)C1 ZINC000347859995 535553351 /nfs/dbraw/zinc/55/33/51/535553351.db2.gz GYMLIGMBRCLOIQ-HNNXBMFYSA-N 0 3 249.402 3.131 20 0 BGADHN CCC[C@]1(C)CCCN(Cc2c(C)cnn2C)C1 ZINC000347859998 136293515 /nfs/dbraw/zinc/29/35/15/136293515.db2.gz GYMLIGMBRCLOIQ-OAHLLOKOSA-N 0 3 249.402 3.131 20 0 BGADHN C[C@@H]1CSCCN1Cc1ccc2occc2c1 ZINC000347861071 136293097 /nfs/dbraw/zinc/29/30/97/136293097.db2.gz SYYZJEIQVDLPSZ-LLVKDONJSA-N 0 3 247.363 3.370 20 0 BGADHN C[C@H]1CSCCN1Cc1ccc2occc2c1 ZINC000347861072 136293206 /nfs/dbraw/zinc/29/32/06/136293206.db2.gz SYYZJEIQVDLPSZ-NSHDSACASA-N 0 3 247.363 3.370 20 0 BGADHN CCc1ccc(CN(CC)C2CCC2)cn1 ZINC000347862018 536172767 /nfs/dbraw/zinc/17/27/67/536172767.db2.gz UTXNVOWMEMHQFA-UHFFFAOYSA-N 0 3 218.344 3.018 20 0 BGADHN Cc1cnn(C)c1CN(C)C1CCC(C)(C)CC1 ZINC000347870726 136017038 /nfs/dbraw/zinc/01/70/38/136017038.db2.gz RTIKPVJCXFWRIP-UHFFFAOYSA-N 0 3 249.402 3.129 20 0 BGADHN CCc1ccc(CN2CC[C@@H](C)[C@H](C)C2)cn1 ZINC000347875845 536178943 /nfs/dbraw/zinc/17/89/43/536178943.db2.gz KKYYZODUZMULHC-CHWSQXEVSA-N 0 3 232.371 3.122 20 0 BGADHN CCc1ccc(CN2CC[C@@H](C)[C@@H](C)C2)cn1 ZINC000347875849 536178841 /nfs/dbraw/zinc/17/88/41/536178841.db2.gz KKYYZODUZMULHC-OLZOCXBDSA-N 0 3 232.371 3.122 20 0 BGADHN CCc1ccc(CN2CC[C@H](C)[C@H](C)C2)cn1 ZINC000347875851 136017072 /nfs/dbraw/zinc/01/70/72/136017072.db2.gz KKYYZODUZMULHC-QWHCGFSZSA-N 0 3 232.371 3.122 20 0 BGADHN CCc1ccc(CN2CC[C@H](C)[C@@H](C)C2)cn1 ZINC000347875862 136016887 /nfs/dbraw/zinc/01/68/87/136016887.db2.gz KKYYZODUZMULHC-STQMWFEESA-N 0 3 232.371 3.122 20 0 BGADHN CCc1ccc(CN2C[C@H](C)CC[C@H]2C)cn1 ZINC000347876976 536180137 /nfs/dbraw/zinc/18/01/37/536180137.db2.gz XQAHIBJWDWCNDQ-CHWSQXEVSA-N 0 3 232.371 3.264 20 0 BGADHN CCc1ccc(CN2C[C@H](C)CC[C@@H]2C)cn1 ZINC000347876979 536179477 /nfs/dbraw/zinc/17/94/77/536179477.db2.gz XQAHIBJWDWCNDQ-OLZOCXBDSA-N 0 3 232.371 3.264 20 0 BGADHN CCc1ccc(CN2C[C@@H](C)CC[C@H]2C)cn1 ZINC000347876981 136293069 /nfs/dbraw/zinc/29/30/69/136293069.db2.gz XQAHIBJWDWCNDQ-QWHCGFSZSA-N 0 3 232.371 3.264 20 0 BGADHN CCc1ccc(CN2C[C@@H](C)CC[C@@H]2C)cn1 ZINC000347876984 136017019 /nfs/dbraw/zinc/01/70/19/136017019.db2.gz XQAHIBJWDWCNDQ-STQMWFEESA-N 0 3 232.371 3.264 20 0 BGADHN CCc1ccc(CN2CCC3(CCC3)C2)cn1 ZINC000347877026 136017085 /nfs/dbraw/zinc/01/70/85/136017085.db2.gz YCGUWEMWSFOSKK-UHFFFAOYSA-N 0 3 230.355 3.020 20 0 BGADHN CCCC[C@H](NCc1cnc(C)cn1)C1CCC1 ZINC000347903579 136015761 /nfs/dbraw/zinc/01/57/61/136015761.db2.gz AUWNTPBPCLAZAM-HNNXBMFYSA-N 0 3 247.386 3.234 20 0 BGADHN CCCC[C@@H](NCc1cnc(C)cn1)C1CCC1 ZINC000347903580 136015785 /nfs/dbraw/zinc/01/57/85/136015785.db2.gz AUWNTPBPCLAZAM-OAHLLOKOSA-N 0 3 247.386 3.234 20 0 BGADHN CCCC[C@H](NCc1nccc(C)n1)C1CCC1 ZINC000347911156 136015971 /nfs/dbraw/zinc/01/59/71/136015971.db2.gz BKUPRWZXGBZGIT-AWEZNQCLSA-N 0 3 247.386 3.234 20 0 BGADHN CCCC[C@@H](NCc1nccc(C)n1)C1CCC1 ZINC000347911157 136016074 /nfs/dbraw/zinc/01/60/74/136016074.db2.gz BKUPRWZXGBZGIT-CQSZACIVSA-N 0 3 247.386 3.234 20 0 BGADHN CCc1ccc(CN(C)[C@H](C)C2(C)CC2)cn1 ZINC000347920311 136018235 /nfs/dbraw/zinc/01/82/35/136018235.db2.gz POJLHXOJIUDBPX-GFCCVEGCSA-N 0 3 232.371 3.264 20 0 BGADHN CCc1ccc(CN(C)[C@@H](C)C2(C)CC2)cn1 ZINC000347920312 136018119 /nfs/dbraw/zinc/01/81/19/136018119.db2.gz POJLHXOJIUDBPX-LBPRGKRZSA-N 0 3 232.371 3.264 20 0 BGADHN CCCC[C@H](NCc1cc(C)n(C)n1)C1CCC1 ZINC000347927080 136018552 /nfs/dbraw/zinc/01/85/52/136018552.db2.gz ZTGVTTUDQKCEBQ-HNNXBMFYSA-N 0 3 249.402 3.177 20 0 BGADHN CCCC[C@@H](NCc1cc(C)n(C)n1)C1CCC1 ZINC000347927081 534933649 /nfs/dbraw/zinc/93/36/49/534933649.db2.gz ZTGVTTUDQKCEBQ-OAHLLOKOSA-N 0 3 249.402 3.177 20 0 BGADHN CCCC[C@H](NCc1ncc(C)cn1)C1CCC1 ZINC000347930390 136018529 /nfs/dbraw/zinc/01/85/29/136018529.db2.gz XPORDIVGJLONAS-AWEZNQCLSA-N 0 3 247.386 3.234 20 0 BGADHN CCCC[C@@H](NCc1ncc(C)cn1)C1CCC1 ZINC000347930391 136018594 /nfs/dbraw/zinc/01/85/94/136018594.db2.gz XPORDIVGJLONAS-CQSZACIVSA-N 0 3 247.386 3.234 20 0 BGADHN COCC[C@@H](N[C@@H]1C=CCCC1)c1ccco1 ZINC000347934699 536807679 /nfs/dbraw/zinc/80/76/79/536807679.db2.gz RAASTXWNKVRKMG-CHWSQXEVSA-N 0 3 235.327 3.056 20 0 BGADHN COCC[C@H](N[C@@H]1C=CCCC1)c1ccco1 ZINC000347934701 136019164 /nfs/dbraw/zinc/01/91/64/136019164.db2.gz RAASTXWNKVRKMG-OLZOCXBDSA-N 0 3 235.327 3.056 20 0 BGADHN COCC[C@@H](N[C@H]1C=CCCC1)c1ccco1 ZINC000347934702 536811175 /nfs/dbraw/zinc/81/11/75/536811175.db2.gz RAASTXWNKVRKMG-QWHCGFSZSA-N 0 3 235.327 3.056 20 0 BGADHN COCC[C@H](N[C@H]1C=CCCC1)c1ccco1 ZINC000347934704 536819606 /nfs/dbraw/zinc/81/96/06/536819606.db2.gz RAASTXWNKVRKMG-STQMWFEESA-N 0 3 235.327 3.056 20 0 BGADHN C[C@@H](NCc1nccn1C)[C@@H](C)C1CCCCC1 ZINC000347965945 136017816 /nfs/dbraw/zinc/01/78/16/136017816.db2.gz RCHYUUZNYHXMGN-CHWSQXEVSA-N 0 3 249.402 3.115 20 0 BGADHN C[C@H](NCc1nccn1C)[C@@H](C)C1CCCCC1 ZINC000347965946 136017603 /nfs/dbraw/zinc/01/76/03/136017603.db2.gz RCHYUUZNYHXMGN-OLZOCXBDSA-N 0 3 249.402 3.115 20 0 BGADHN C[C@@H](NCc1nccn1C)[C@H](C)C1CCCCC1 ZINC000347965947 136017540 /nfs/dbraw/zinc/01/75/40/136017540.db2.gz RCHYUUZNYHXMGN-QWHCGFSZSA-N 0 3 249.402 3.115 20 0 BGADHN C[C@@H]([C@H](C)NCc1nccn1C)C1CCCCC1 ZINC000347965948 136017738 /nfs/dbraw/zinc/01/77/38/136017738.db2.gz RCHYUUZNYHXMGN-STQMWFEESA-N 0 3 249.402 3.115 20 0 BGADHN CC[C@@H](C)CN1CCc2cccc(F)c2C1 ZINC000347973614 136022707 /nfs/dbraw/zinc/02/27/07/136022707.db2.gz LDHBKUZXLLCIFB-LLVKDONJSA-N 0 3 221.319 3.230 20 0 BGADHN CC[C@H](C)CN1CCc2cccc(F)c2C1 ZINC000347973618 136022700 /nfs/dbraw/zinc/02/27/00/136022700.db2.gz LDHBKUZXLLCIFB-NSHDSACASA-N 0 3 221.319 3.230 20 0 BGADHN Cc1nc(CCN2CCC(C)(C)CC2)cs1 ZINC000348054998 136031848 /nfs/dbraw/zinc/03/18/48/136031848.db2.gz XTUYAZZOJVTJKN-UHFFFAOYSA-N 0 3 238.400 3.116 20 0 BGADHN CSCCN(C)Cc1cccc(C(F)F)c1 ZINC000348059644 136024239 /nfs/dbraw/zinc/02/42/39/136024239.db2.gz QVTNZKMDNJNFOJ-UHFFFAOYSA-N 0 3 245.338 3.419 20 0 BGADHN CCc1noc(CC)c1CN[C@H]1CC[C@@H]1CC ZINC000348059886 136024336 /nfs/dbraw/zinc/02/43/36/136024336.db2.gz BUADJHXXHLEGAX-GWCFXTLKSA-N 0 3 236.359 3.078 20 0 BGADHN CCc1noc(CC)c1CN[C@@H]1CC[C@@H]1CC ZINC000348059888 136024141 /nfs/dbraw/zinc/02/41/41/136024141.db2.gz BUADJHXXHLEGAX-GXFFZTMASA-N 0 3 236.359 3.078 20 0 BGADHN CCc1noc(CC)c1CN[C@H]1CC[C@H]1CC ZINC000348059890 136024212 /nfs/dbraw/zinc/02/42/12/136024212.db2.gz BUADJHXXHLEGAX-MFKMUULPSA-N 0 3 236.359 3.078 20 0 BGADHN CCc1noc(CC)c1CN[C@@H]1CC[C@H]1CC ZINC000348059891 136024463 /nfs/dbraw/zinc/02/44/63/136024463.db2.gz BUADJHXXHLEGAX-ZWNOBZJWSA-N 0 3 236.359 3.078 20 0 BGADHN Cc1occc1CN(C)C1Cc2ccccc2C1 ZINC000348061702 136024249 /nfs/dbraw/zinc/02/42/49/136024249.db2.gz JHPZSYWWBIMUHO-UHFFFAOYSA-N 0 3 241.334 3.187 20 0 BGADHN Fc1ccc(CN[C@@H]2CC[C@H]2C2CC2)c(F)c1 ZINC000348064146 136025038 /nfs/dbraw/zinc/02/50/38/136025038.db2.gz NMOUJCWKSJKHAV-GXTWGEPZSA-N 0 3 237.293 3.243 20 0 BGADHN Fc1ccc(CN[C@H]2CC[C@H]2C2CC2)c(F)c1 ZINC000348064147 136025236 /nfs/dbraw/zinc/02/52/36/136025236.db2.gz NMOUJCWKSJKHAV-JSGCOSHPSA-N 0 3 237.293 3.243 20 0 BGADHN Fc1ccc(CN[C@H]2CC[C@@H]2C2CC2)c(F)c1 ZINC000348064148 136025321 /nfs/dbraw/zinc/02/53/21/136025321.db2.gz NMOUJCWKSJKHAV-OCCSQVGLSA-N 0 3 237.293 3.243 20 0 BGADHN Fc1ccc(CN[C@@H]2CC[C@@H]2C2CC2)c(F)c1 ZINC000348064149 136025033 /nfs/dbraw/zinc/02/50/33/136025033.db2.gz NMOUJCWKSJKHAV-TZMCWYRMSA-N 0 3 237.293 3.243 20 0 BGADHN CCc1noc(CC)c1CN[C@@H]1CC[C@@H]1C1CC1 ZINC000348079507 537806955 /nfs/dbraw/zinc/80/69/55/537806955.db2.gz JDBQPXUYSGYVKS-BXUZGUMPSA-N 0 3 248.370 3.078 20 0 BGADHN CCc1noc(CC)c1CN[C@H]1CC[C@H]1C1CC1 ZINC000348079508 537808156 /nfs/dbraw/zinc/80/81/56/537808156.db2.gz JDBQPXUYSGYVKS-FZMZJTMJSA-N 0 3 248.370 3.078 20 0 BGADHN CCc1noc(CC)c1CN[C@H]1CC[C@@H]1C1CC1 ZINC000348079509 537808197 /nfs/dbraw/zinc/80/81/97/537808197.db2.gz JDBQPXUYSGYVKS-RISCZKNCSA-N 0 3 248.370 3.078 20 0 BGADHN CCc1noc(CC)c1CN[C@@H]1CC[C@H]1C1CC1 ZINC000348080326 537811400 /nfs/dbraw/zinc/81/14/00/537811400.db2.gz JDBQPXUYSGYVKS-SMDDNHRTSA-N 0 3 248.370 3.078 20 0 BGADHN CC(C)(C)[C@@H]1CC[C@H]1NCc1ccc(F)cn1 ZINC000348086247 136034722 /nfs/dbraw/zinc/03/47/22/136034722.db2.gz YJIMWKKFCSZVKK-CHWSQXEVSA-N 0 3 236.334 3.135 20 0 BGADHN CC(C)(C)[C@@H]1CC[C@@H]1NCc1ccc(F)cn1 ZINC000348086248 136034708 /nfs/dbraw/zinc/03/47/08/136034708.db2.gz YJIMWKKFCSZVKK-OLZOCXBDSA-N 0 3 236.334 3.135 20 0 BGADHN CC(C)(C)[C@H]1CC[C@H]1NCc1ccc(F)cn1 ZINC000348086249 136034770 /nfs/dbraw/zinc/03/47/70/136034770.db2.gz YJIMWKKFCSZVKK-QWHCGFSZSA-N 0 3 236.334 3.135 20 0 BGADHN CC(C)(C)[C@H]1CC[C@@H]1NCc1ccc(F)cn1 ZINC000348086250 136034892 /nfs/dbraw/zinc/03/48/92/136034892.db2.gz YJIMWKKFCSZVKK-STQMWFEESA-N 0 3 236.334 3.135 20 0 BGADHN Cc1noc(C)c1CN[C@@H]1CC[C@H]1C(C)(C)C ZINC000348087616 136035249 /nfs/dbraw/zinc/03/52/49/136035249.db2.gz QBEGGQKDCLYGQD-CHWSQXEVSA-N 0 3 236.359 3.206 20 0 BGADHN Cc1noc(C)c1CN[C@H]1CC[C@H]1C(C)(C)C ZINC000348087617 136035456 /nfs/dbraw/zinc/03/54/56/136035456.db2.gz QBEGGQKDCLYGQD-OLZOCXBDSA-N 0 3 236.359 3.206 20 0 BGADHN Cc1noc(C)c1CN[C@@H]1CC[C@@H]1C(C)(C)C ZINC000348087618 136035473 /nfs/dbraw/zinc/03/54/73/136035473.db2.gz QBEGGQKDCLYGQD-QWHCGFSZSA-N 0 3 236.359 3.206 20 0 BGADHN Cc1noc(C)c1CN[C@H]1CC[C@@H]1C(C)(C)C ZINC000348087620 136035308 /nfs/dbraw/zinc/03/53/08/136035308.db2.gz QBEGGQKDCLYGQD-STQMWFEESA-N 0 3 236.359 3.206 20 0 BGADHN CC(C)C[C@H](C)CN[C@H]1CCCc2c[nH]nc21 ZINC000348091365 136035732 /nfs/dbraw/zinc/03/57/32/136035732.db2.gz LJYDVFXKYHMLTI-AAEUAGOBSA-N 0 3 235.375 3.059 20 0 BGADHN CC(C)C[C@@H](C)CN[C@@H]1CCCc2c[nH]nc21 ZINC000348091366 136035865 /nfs/dbraw/zinc/03/58/65/136035865.db2.gz LJYDVFXKYHMLTI-DGCLKSJQSA-N 0 3 235.375 3.059 20 0 BGADHN CC(C)C[C@H](C)CN[C@@H]1CCCc2c[nH]nc21 ZINC000348091367 136035928 /nfs/dbraw/zinc/03/59/28/136035928.db2.gz LJYDVFXKYHMLTI-WCQYABFASA-N 0 3 235.375 3.059 20 0 BGADHN CC(C)C[C@@H](C)CN[C@H]1CCCc2c[nH]nc21 ZINC000348091368 136035824 /nfs/dbraw/zinc/03/58/24/136035824.db2.gz LJYDVFXKYHMLTI-YPMHNXCESA-N 0 3 235.375 3.059 20 0 BGADHN COC[C@H](N[C@H]1CC[C@H]1C1CC1)c1ccc(C)o1 ZINC000348100324 582524897 /nfs/dbraw/zinc/52/48/97/582524897.db2.gz DVOBXUDHCOVMSX-IHRRRGAJSA-N 0 3 249.354 3.054 20 0 BGADHN COC[C@H](N[C@@H]1CC[C@@H]1C1CC1)c1ccc(C)o1 ZINC000348100326 582525024 /nfs/dbraw/zinc/52/50/24/582525024.db2.gz DVOBXUDHCOVMSX-MCIONIFRSA-N 0 3 249.354 3.054 20 0 BGADHN COC[C@H](N[C@@H]1CC[C@H]1C1CC1)c1ccc(C)o1 ZINC000348100328 582525009 /nfs/dbraw/zinc/52/50/09/582525009.db2.gz DVOBXUDHCOVMSX-MJBXVCDLSA-N 0 3 249.354 3.054 20 0 BGADHN COC[C@H](N[C@H]1CC[C@@H]1C1CC1)c1ccc(C)o1 ZINC000348100330 582524998 /nfs/dbraw/zinc/52/49/98/582524998.db2.gz DVOBXUDHCOVMSX-RDBSUJKOSA-N 0 3 249.354 3.054 20 0 BGADHN CC[C@@H]1CC[C@@H]1N[C@@H](COC)c1ccc(C)o1 ZINC000348102143 535823657 /nfs/dbraw/zinc/82/36/57/535823657.db2.gz LZGBOYDAIGRXQL-AGIUHOORSA-N 0 3 237.343 3.054 20 0 BGADHN CC[C@@H]1CC[C@@H]1N[C@H](COC)c1ccc(C)o1 ZINC000348102144 136036625 /nfs/dbraw/zinc/03/66/25/136036625.db2.gz LZGBOYDAIGRXQL-FRRDWIJNSA-N 0 3 237.343 3.054 20 0 BGADHN CC[C@@H]1CC[C@H]1N[C@H](COC)c1ccc(C)o1 ZINC000348102145 535824982 /nfs/dbraw/zinc/82/49/82/535824982.db2.gz LZGBOYDAIGRXQL-JHJVBQTASA-N 0 3 237.343 3.054 20 0 BGADHN CC[C@@H]1CC[C@H]1N[C@@H](COC)c1ccc(C)o1 ZINC000348102146 136036584 /nfs/dbraw/zinc/03/65/84/136036584.db2.gz LZGBOYDAIGRXQL-UPJWGTAASA-N 0 3 237.343 3.054 20 0 BGADHN CCCOc1ncccc1CN[C@@H]1CC[C@@H]1CC ZINC000348111112 136037365 /nfs/dbraw/zinc/03/73/65/136037365.db2.gz VMXAKMBQNZOOQE-GXTWGEPZSA-N 0 3 248.370 3.149 20 0 BGADHN CCCOc1ncccc1CN[C@H]1CC[C@@H]1CC ZINC000348111113 136037121 /nfs/dbraw/zinc/03/71/21/136037121.db2.gz VMXAKMBQNZOOQE-JSGCOSHPSA-N 0 3 248.370 3.149 20 0 BGADHN CCCOc1ncccc1CN[C@H]1CC[C@H]1CC ZINC000348111114 136037306 /nfs/dbraw/zinc/03/73/06/136037306.db2.gz VMXAKMBQNZOOQE-OCCSQVGLSA-N 0 3 248.370 3.149 20 0 BGADHN CCCOc1ncccc1CN[C@@H]1CC[C@H]1CC ZINC000348111116 136037405 /nfs/dbraw/zinc/03/74/05/136037405.db2.gz VMXAKMBQNZOOQE-TZMCWYRMSA-N 0 3 248.370 3.149 20 0 BGADHN CC[C@@H]1CC[C@@H]1NCc1nc2ccc(C)cc2[nH]1 ZINC000348113591 535823744 /nfs/dbraw/zinc/82/37/44/535823744.db2.gz RPPZSKNYZWFZDN-NEPJUHHUSA-N 0 3 243.354 3.150 20 0 BGADHN CC[C@@H]1CC[C@@H]1NCc1nc2cc(C)ccc2[nH]1 ZINC000348113591 535823743 /nfs/dbraw/zinc/82/37/43/535823743.db2.gz RPPZSKNYZWFZDN-NEPJUHHUSA-N 0 3 243.354 3.150 20 0 BGADHN CC[C@H]1CC[C@H]1NCc1nc2ccc(C)cc2[nH]1 ZINC000348113593 536101058 /nfs/dbraw/zinc/10/10/58/536101058.db2.gz RPPZSKNYZWFZDN-NWDGAFQWSA-N 0 3 243.354 3.150 20 0 BGADHN CC[C@H]1CC[C@H]1NCc1nc2cc(C)ccc2[nH]1 ZINC000348113593 536101055 /nfs/dbraw/zinc/10/10/55/536101055.db2.gz RPPZSKNYZWFZDN-NWDGAFQWSA-N 0 3 243.354 3.150 20 0 BGADHN CC[C@H]1CC[C@@H]1NCc1nc2ccc(C)cc2[nH]1 ZINC000348113595 136037154 /nfs/dbraw/zinc/03/71/54/136037154.db2.gz RPPZSKNYZWFZDN-RYUDHWBXSA-N 0 3 243.354 3.150 20 0 BGADHN CC[C@H]1CC[C@@H]1NCc1nc2cc(C)ccc2[nH]1 ZINC000348113595 136037153 /nfs/dbraw/zinc/03/71/53/136037153.db2.gz RPPZSKNYZWFZDN-RYUDHWBXSA-N 0 3 243.354 3.150 20 0 BGADHN CC[C@@H]1CC[C@H]1NCc1nc2ccc(C)cc2[nH]1 ZINC000348113596 136037263 /nfs/dbraw/zinc/03/72/63/136037263.db2.gz RPPZSKNYZWFZDN-VXGBXAGGSA-N 0 3 243.354 3.150 20 0 BGADHN CC[C@@H]1CC[C@H]1NCc1nc2cc(C)ccc2[nH]1 ZINC000348113596 136037262 /nfs/dbraw/zinc/03/72/62/136037262.db2.gz RPPZSKNYZWFZDN-VXGBXAGGSA-N 0 3 243.354 3.150 20 0 BGADHN COc1ncccc1CN[C@@H]1CC[C@H]1C(C)(C)C ZINC000348113631 136037208 /nfs/dbraw/zinc/03/72/08/136037208.db2.gz XUMIMCZOTJZKPO-CHWSQXEVSA-N 0 3 248.370 3.005 20 0 BGADHN COc1ncccc1CN[C@H]1CC[C@H]1C(C)(C)C ZINC000348113632 136037107 /nfs/dbraw/zinc/03/71/07/136037107.db2.gz XUMIMCZOTJZKPO-OLZOCXBDSA-N 0 3 248.370 3.005 20 0 BGADHN COc1ncccc1CN[C@@H]1CC[C@@H]1C(C)(C)C ZINC000348113634 136037515 /nfs/dbraw/zinc/03/75/15/136037515.db2.gz XUMIMCZOTJZKPO-QWHCGFSZSA-N 0 3 248.370 3.005 20 0 BGADHN COc1ncccc1CN[C@H]1CC[C@@H]1C(C)(C)C ZINC000348113636 136037349 /nfs/dbraw/zinc/03/73/49/136037349.db2.gz XUMIMCZOTJZKPO-STQMWFEESA-N 0 3 248.370 3.005 20 0 BGADHN CC(C)c1ncc(CN[C@H]2C[C@H]2C(F)F)s1 ZINC000348117625 136032492 /nfs/dbraw/zinc/03/24/92/136032492.db2.gz MEDSEQWOWVBDBN-BDAKNGLRSA-N 0 3 246.326 3.010 20 0 BGADHN CC(C)c1ncc(CN[C@@H]2C[C@@H]2C(F)F)s1 ZINC000348117626 136032381 /nfs/dbraw/zinc/03/23/81/136032381.db2.gz MEDSEQWOWVBDBN-DTWKUNHWSA-N 0 3 246.326 3.010 20 0 BGADHN CC(C)c1ncc(CN[C@H]2C[C@@H]2C(F)F)s1 ZINC000348117627 388525809 /nfs/dbraw/zinc/52/58/09/388525809.db2.gz MEDSEQWOWVBDBN-IUCAKERBSA-N 0 3 246.326 3.010 20 0 BGADHN CC(C)c1ncc(CN[C@@H]2C[C@H]2C(F)F)s1 ZINC000348117628 136032260 /nfs/dbraw/zinc/03/22/60/136032260.db2.gz MEDSEQWOWVBDBN-RKDXNWHRSA-N 0 3 246.326 3.010 20 0 BGADHN Fc1ccc(F)c(CN[C@@H]2CC[C@H]2C2CC2)c1 ZINC000348118164 136032441 /nfs/dbraw/zinc/03/24/41/136032441.db2.gz FMMRQTXBZNXPLT-GXTWGEPZSA-N 0 3 237.293 3.243 20 0 BGADHN Fc1ccc(F)c(CN[C@H]2CC[C@H]2C2CC2)c1 ZINC000348118167 136032361 /nfs/dbraw/zinc/03/23/61/136032361.db2.gz FMMRQTXBZNXPLT-JSGCOSHPSA-N 0 3 237.293 3.243 20 0 BGADHN Cc1cc(CNCCCC2CCCCC2)on1 ZINC000348118357 388526055 /nfs/dbraw/zinc/52/60/55/388526055.db2.gz PKIDEQQCPKJKKD-UHFFFAOYSA-N 0 3 236.359 3.433 20 0 BGADHN Fc1ccc(F)c(CN[C@H]2CC[C@@H]2C2CC2)c1 ZINC000348119020 136032551 /nfs/dbraw/zinc/03/25/51/136032551.db2.gz FMMRQTXBZNXPLT-OCCSQVGLSA-N 0 3 237.293 3.243 20 0 BGADHN Fc1ccc(F)c(CN[C@@H]2CC[C@@H]2C2CC2)c1 ZINC000348119021 136032358 /nfs/dbraw/zinc/03/23/58/136032358.db2.gz FMMRQTXBZNXPLT-TZMCWYRMSA-N 0 3 237.293 3.243 20 0 BGADHN C[C@H](N[C@@H]1C[C@@H]1C(F)F)c1ccsc1 ZINC000348143799 136039187 /nfs/dbraw/zinc/03/91/87/136039187.db2.gz AGHWPZWOCXDTIB-CNUIFLNQSA-N 0 3 217.284 3.052 20 0 BGADHN C[C@H](N[C@@H]1C[C@H]1C(F)F)c1ccsc1 ZINC000348143801 136039030 /nfs/dbraw/zinc/03/90/30/136039030.db2.gz AGHWPZWOCXDTIB-NBEYISGCSA-N 0 3 217.284 3.052 20 0 BGADHN C[C@H](N[C@H]1C[C@@H]1C(F)F)c1ccsc1 ZINC000348143802 136038945 /nfs/dbraw/zinc/03/89/45/136038945.db2.gz AGHWPZWOCXDTIB-XVYDVKMFSA-N 0 3 217.284 3.052 20 0 BGADHN C[C@H](N[C@H]1C[C@H]1C(F)F)c1ccsc1 ZINC000348143805 136039175 /nfs/dbraw/zinc/03/91/75/136039175.db2.gz AGHWPZWOCXDTIB-ZQARSLAVSA-N 0 3 217.284 3.052 20 0 BGADHN C[C@H](N[C@@H]1C[C@@H]1C(F)F)c1ccc(F)cc1 ZINC000348144504 136038860 /nfs/dbraw/zinc/03/88/60/136038860.db2.gz BSYJAVKKDWFUEW-BKDNQFJXSA-N 0 3 229.245 3.130 20 0 BGADHN C[C@H](N[C@H]1C[C@@H]1C(F)F)c1ccc(F)cc1 ZINC000348144505 388526035 /nfs/dbraw/zinc/52/60/35/388526035.db2.gz BSYJAVKKDWFUEW-SWPVVBRQSA-N 0 3 229.245 3.130 20 0 BGADHN C[C@H](N[C@@H]1C[C@H]1C(F)F)c1ccc(F)cc1 ZINC000348144506 136039143 /nfs/dbraw/zinc/03/91/43/136039143.db2.gz BSYJAVKKDWFUEW-WHGOUJPWSA-N 0 3 229.245 3.130 20 0 BGADHN C[C@H](N[C@H]1C[C@H]1C(F)F)c1ccc(F)cc1 ZINC000348144507 136038811 /nfs/dbraw/zinc/03/88/11/136038811.db2.gz BSYJAVKKDWFUEW-XROYCOCOSA-N 0 3 229.245 3.130 20 0 BGADHN CCC(C)(C)CCN1CCC[C@@H]1c1cc[nH]n1 ZINC000348145096 136039609 /nfs/dbraw/zinc/03/96/09/136039609.db2.gz CJECHZQJBMWQAD-CYBMUJFWSA-N 0 3 235.375 3.373 20 0 BGADHN CCC(C)(C)CCN1CCC[C@H]1c1cc[nH]n1 ZINC000348145097 535351194 /nfs/dbraw/zinc/35/11/94/535351194.db2.gz CJECHZQJBMWQAD-ZDUSSCGKSA-N 0 3 235.375 3.373 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2C[C@@H]2C(F)F)c(C)o1 ZINC000348146705 136039528 /nfs/dbraw/zinc/03/95/28/136039528.db2.gz FMSDPRKDNJWKAB-BKDNQFJXSA-N 0 3 229.270 3.201 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2C[C@@H]2C(F)F)c(C)o1 ZINC000348146707 178260037 /nfs/dbraw/zinc/26/00/37/178260037.db2.gz FMSDPRKDNJWKAB-SWPVVBRQSA-N 0 3 229.270 3.201 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2C[C@H]2C(F)F)c(C)o1 ZINC000348146708 136039614 /nfs/dbraw/zinc/03/96/14/136039614.db2.gz FMSDPRKDNJWKAB-WHGOUJPWSA-N 0 3 229.270 3.201 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2C[C@H]2C(F)F)c(C)o1 ZINC000348146709 136039328 /nfs/dbraw/zinc/03/93/28/136039328.db2.gz FMSDPRKDNJWKAB-XROYCOCOSA-N 0 3 229.270 3.201 20 0 BGADHN C[C@H](N[C@@H]1C[C@@H]1C(F)F)c1cccc(F)c1 ZINC000348148544 136039364 /nfs/dbraw/zinc/03/93/64/136039364.db2.gz ISHAFWSCEVYMKH-BKDNQFJXSA-N 0 3 229.245 3.130 20 0 BGADHN C[C@H](N[C@H]1C[C@@H]1C(F)F)c1cccc(F)c1 ZINC000348148545 388526028 /nfs/dbraw/zinc/52/60/28/388526028.db2.gz ISHAFWSCEVYMKH-SWPVVBRQSA-N 0 3 229.245 3.130 20 0 BGADHN C[C@H](N[C@@H]1C[C@H]1C(F)F)c1cccc(F)c1 ZINC000348148547 136039243 /nfs/dbraw/zinc/03/92/43/136039243.db2.gz ISHAFWSCEVYMKH-WHGOUJPWSA-N 0 3 229.245 3.130 20 0 BGADHN C[C@H](N[C@H]1C[C@H]1C(F)F)c1cccc(F)c1 ZINC000348148548 136039595 /nfs/dbraw/zinc/03/95/95/136039595.db2.gz ISHAFWSCEVYMKH-XROYCOCOSA-N 0 3 229.245 3.130 20 0 BGADHN C[C@H](N[C@@H]1C[C@@H]1C(F)F)c1cccs1 ZINC000348150439 136039671 /nfs/dbraw/zinc/03/96/71/136039671.db2.gz LGDLOYAZRIAQRI-BIIVOSGPSA-N 0 3 217.284 3.052 20 0 BGADHN C[C@H](N[C@H]1C[C@@H]1C(F)F)c1cccs1 ZINC000348150440 136039703 /nfs/dbraw/zinc/03/97/03/136039703.db2.gz LGDLOYAZRIAQRI-FXQIFTODSA-N 0 3 217.284 3.052 20 0 BGADHN C[C@H](N[C@H]1C[C@H]1C(F)F)c1cccs1 ZINC000348150441 136039886 /nfs/dbraw/zinc/03/98/86/136039886.db2.gz LGDLOYAZRIAQRI-RNJXMRFFSA-N 0 3 217.284 3.052 20 0 BGADHN C[C@H](N[C@@H]1C[C@H]1C(F)F)c1cccs1 ZINC000348150442 136039735 /nfs/dbraw/zinc/03/97/35/136039735.db2.gz LGDLOYAZRIAQRI-XLPZGREQSA-N 0 3 217.284 3.052 20 0 BGADHN CC(C)C[C@H](C)CN1CCC[C@@H]1c1cc[nH]n1 ZINC000348152937 136040463 /nfs/dbraw/zinc/04/04/63/136040463.db2.gz CSOOGMUWXKTWQP-GXTWGEPZSA-N 0 3 235.375 3.229 20 0 BGADHN CC(C)C[C@H](C)CN1CCC[C@H]1c1cc[nH]n1 ZINC000348152938 136040202 /nfs/dbraw/zinc/04/02/02/136040202.db2.gz CSOOGMUWXKTWQP-JSGCOSHPSA-N 0 3 235.375 3.229 20 0 BGADHN CC(C)C[C@@H](C)CN1CCC[C@H]1c1cc[nH]n1 ZINC000348152940 136040406 /nfs/dbraw/zinc/04/04/06/136040406.db2.gz CSOOGMUWXKTWQP-OCCSQVGLSA-N 0 3 235.375 3.229 20 0 BGADHN CC(C)C[C@@H](C)CN1CCC[C@@H]1c1cc[nH]n1 ZINC000348152941 136040300 /nfs/dbraw/zinc/04/03/00/136040300.db2.gz CSOOGMUWXKTWQP-TZMCWYRMSA-N 0 3 235.375 3.229 20 0 BGADHN CC(C)(C)CCCN1CCC[C@@H]1c1cc[nH]n1 ZINC000348154842 490393556 /nfs/dbraw/zinc/39/35/56/490393556.db2.gz GOYIFOIFQPDREL-CYBMUJFWSA-N 0 3 235.375 3.373 20 0 BGADHN CC(C)(C)CCCN1CCC[C@H]1c1cc[nH]n1 ZINC000348154843 490393496 /nfs/dbraw/zinc/39/34/96/490393496.db2.gz GOYIFOIFQPDREL-ZDUSSCGKSA-N 0 3 235.375 3.373 20 0 BGADHN Cc1ccc([C@H](C)N[C@H]2C[C@@H]2C(F)F)s1 ZINC000348154975 134357663 /nfs/dbraw/zinc/35/76/63/134357663.db2.gz XHIUIIILBMQJGH-CIUDSAMLSA-N 0 3 231.311 3.361 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H]2C[C@H]2C(F)F)s1 ZINC000348154977 136040797 /nfs/dbraw/zinc/04/07/97/136040797.db2.gz XHIUIIILBMQJGH-DJLDLDEBSA-N 0 3 231.311 3.361 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H]2C[C@@H]2C(F)F)s1 ZINC000348154983 136040956 /nfs/dbraw/zinc/04/09/56/136040956.db2.gz XHIUIIILBMQJGH-XHNCKOQMSA-N 0 3 231.311 3.361 20 0 BGADHN Cc1ccc([C@H](C)N[C@H]2C[C@H]2C(F)F)s1 ZINC000348154985 136040753 /nfs/dbraw/zinc/04/07/53/136040753.db2.gz XHIUIIILBMQJGH-YIZRAAEISA-N 0 3 231.311 3.361 20 0 BGADHN Cc1nc(C)c([C@H](C)N[C@@H]2C[C@@H]2C(F)F)s1 ZINC000348159854 136041281 /nfs/dbraw/zinc/04/12/81/136041281.db2.gz NUOMKRIWRAZVIV-CNUIFLNQSA-N 0 3 246.326 3.064 20 0 BGADHN Cc1nc(C)c([C@H](C)N[C@@H]2C[C@H]2C(F)F)s1 ZINC000348159855 136041337 /nfs/dbraw/zinc/04/13/37/136041337.db2.gz NUOMKRIWRAZVIV-NBEYISGCSA-N 0 3 246.326 3.064 20 0 BGADHN Cc1nc(C)c([C@H](C)N[C@H]2C[C@@H]2C(F)F)s1 ZINC000348159856 388526952 /nfs/dbraw/zinc/52/69/52/388526952.db2.gz NUOMKRIWRAZVIV-XVYDVKMFSA-N 0 3 246.326 3.064 20 0 BGADHN Cc1nc(C)c([C@H](C)N[C@H]2C[C@H]2C(F)F)s1 ZINC000348159857 136041317 /nfs/dbraw/zinc/04/13/17/136041317.db2.gz NUOMKRIWRAZVIV-ZQARSLAVSA-N 0 3 246.326 3.064 20 0 BGADHN CC[C@H](N[C@@H]1C[C@H]1C(F)F)c1ccccc1 ZINC000348161384 136041832 /nfs/dbraw/zinc/04/18/32/136041832.db2.gz MUNYYGRDSYAEFH-GRYCIOLGSA-N 0 3 225.282 3.381 20 0 BGADHN CC[C@H](N[C@@H]1C[C@@H]1C(F)F)c1ccccc1 ZINC000348161385 136041524 /nfs/dbraw/zinc/04/15/24/136041524.db2.gz MUNYYGRDSYAEFH-SDDRHHMPSA-N 0 3 225.282 3.381 20 0 BGADHN CC[C@H](N[C@H]1C[C@@H]1C(F)F)c1ccccc1 ZINC000348161386 383916897 /nfs/dbraw/zinc/91/68/97/383916897.db2.gz MUNYYGRDSYAEFH-SRVKXCTJSA-N 0 3 225.282 3.381 20 0 BGADHN CC[C@H](N[C@H]1C[C@H]1C(F)F)c1ccccc1 ZINC000348161387 136041609 /nfs/dbraw/zinc/04/16/09/136041609.db2.gz MUNYYGRDSYAEFH-WOPDTQHZSA-N 0 3 225.282 3.381 20 0 BGADHN CC[C@H]1CCC[C@H]1NCc1ccn(C(C)C)n1 ZINC000348164964 383927260 /nfs/dbraw/zinc/92/72/60/383927260.db2.gz YCWSGXDBMOAOEH-GXTWGEPZSA-N 0 3 235.375 3.132 20 0 BGADHN CC[C@H]1CCC[C@@H]1NCc1ccn(C(C)C)n1 ZINC000348164965 383926851 /nfs/dbraw/zinc/92/68/51/383926851.db2.gz YCWSGXDBMOAOEH-JSGCOSHPSA-N 0 3 235.375 3.132 20 0 BGADHN CC[C@@H]1CCC[C@@H]1NCc1ccn(C(C)C)n1 ZINC000348164966 344644634 /nfs/dbraw/zinc/64/46/34/344644634.db2.gz YCWSGXDBMOAOEH-OCCSQVGLSA-N 0 3 235.375 3.132 20 0 BGADHN CC[C@@H]1CCC[C@H]1NCc1ccn(C(C)C)n1 ZINC000348164967 171001778 /nfs/dbraw/zinc/00/17/78/171001778.db2.gz YCWSGXDBMOAOEH-TZMCWYRMSA-N 0 3 235.375 3.132 20 0 BGADHN CC[C@@]1(C)CCN(CCC(=O)c2ccccc2)C1 ZINC000348170143 383931287 /nfs/dbraw/zinc/93/12/87/383931287.db2.gz QVLDYCBBRUQXRS-INIZCTEOSA-N 0 3 245.366 3.381 20 0 BGADHN CC[C@]1(C)CCN(CCC(=O)c2ccccc2)C1 ZINC000348170144 383932475 /nfs/dbraw/zinc/93/24/75/383932475.db2.gz QVLDYCBBRUQXRS-MRXNPFEDSA-N 0 3 245.366 3.381 20 0 BGADHN COc1cccc(CN2CCCC3(CCC3)C2)c1 ZINC000348170201 136042108 /nfs/dbraw/zinc/04/21/08/136042108.db2.gz RMZZFBUXCIJJKN-UHFFFAOYSA-N 0 3 245.366 3.461 20 0 BGADHN Cc1cccnc1CN1CCCC2(CCC2)C1 ZINC000348171929 136042805 /nfs/dbraw/zinc/04/28/05/136042805.db2.gz WLPPUYIXHQOOAR-UHFFFAOYSA-N 0 3 230.355 3.156 20 0 BGADHN Cc1noc(C)c1CCN1CCCC2(CCC2)C1 ZINC000348172536 136042686 /nfs/dbraw/zinc/04/26/86/136042686.db2.gz YGRVZZYVQCLJAW-UHFFFAOYSA-N 0 3 248.370 3.100 20 0 BGADHN Cc1ccc(CN2CCCC3(CCC3)C2)nc1 ZINC000348172542 136042562 /nfs/dbraw/zinc/04/25/62/136042562.db2.gz YJCYLQIHCUIZEH-UHFFFAOYSA-N 0 3 230.355 3.156 20 0 BGADHN CCc1ccc(CN2CCCC3(CC3)C2)cn1 ZINC000348174772 136043023 /nfs/dbraw/zinc/04/30/23/136043023.db2.gz PGIKHRNXUXCJQK-UHFFFAOYSA-N 0 3 230.355 3.020 20 0 BGADHN Cc1cc(CN2CCCC3(CC3)C2)cc(C)c1O ZINC000348176376 136042970 /nfs/dbraw/zinc/04/29/70/136042970.db2.gz VIPIZCHQWFCAIC-UHFFFAOYSA-N 0 3 245.366 3.385 20 0 BGADHN O=C(CCN1CCC12CCC2)c1ccc(F)cc1 ZINC000348178036 136043250 /nfs/dbraw/zinc/04/32/50/136043250.db2.gz YUHSBAUDUCDFAZ-UHFFFAOYSA-N 0 3 247.313 3.027 20 0 BGADHN Cc1cccc(CN[C@H]2C[C@H]2C(F)F)c1C ZINC000348179336 136043532 /nfs/dbraw/zinc/04/35/32/136043532.db2.gz FZVJHBSKLSPJLY-NEPJUHHUSA-N 0 3 225.282 3.047 20 0 BGADHN Cc1cccc(CN[C@@H]2C[C@@H]2C(F)F)c1C ZINC000348179337 136043543 /nfs/dbraw/zinc/04/35/43/136043543.db2.gz FZVJHBSKLSPJLY-NWDGAFQWSA-N 0 3 225.282 3.047 20 0 BGADHN Cc1cccc(CN[C@H]2C[C@@H]2C(F)F)c1C ZINC000348179338 188085680 /nfs/dbraw/zinc/08/56/80/188085680.db2.gz FZVJHBSKLSPJLY-RYUDHWBXSA-N 0 3 225.282 3.047 20 0 BGADHN Cc1cccc(CN[C@@H]2C[C@H]2C(F)F)c1C ZINC000348179339 136043179 /nfs/dbraw/zinc/04/31/79/136043179.db2.gz FZVJHBSKLSPJLY-VXGBXAGGSA-N 0 3 225.282 3.047 20 0 BGADHN COc1ccc(C)cc1CN(C)CC1CCC1 ZINC000348179881 136043387 /nfs/dbraw/zinc/04/33/87/136043387.db2.gz IVQCRXDOZZACBY-UHFFFAOYSA-N 0 3 233.355 3.236 20 0 BGADHN Cc1ncc(CN2CCCC3(CCC3)C2)s1 ZINC000348182595 136043700 /nfs/dbraw/zinc/04/37/00/136043700.db2.gz RCEUMTUNTCWMIZ-UHFFFAOYSA-N 0 3 236.384 3.218 20 0 BGADHN CCC1(CC)CCN(Cc2c(C)cnn2C)CC1 ZINC000348183412 136044169 /nfs/dbraw/zinc/04/41/69/136044169.db2.gz BVBQXUZFVPSCQM-UHFFFAOYSA-N 0 3 249.402 3.131 20 0 BGADHN Cc1ccc(CN[C@H]2C[C@H]2C(F)F)c(C)c1 ZINC000348184183 136044130 /nfs/dbraw/zinc/04/41/30/136044130.db2.gz LLLSEUDIZFVKQC-NEPJUHHUSA-N 0 3 225.282 3.047 20 0 BGADHN Cc1ccc(CN[C@@H]2C[C@@H]2C(F)F)c(C)c1 ZINC000348184184 136044163 /nfs/dbraw/zinc/04/41/63/136044163.db2.gz LLLSEUDIZFVKQC-NWDGAFQWSA-N 0 3 225.282 3.047 20 0 BGADHN Cc1ccc(CN[C@H]2C[C@@H]2C(F)F)c(C)c1 ZINC000348184185 388526360 /nfs/dbraw/zinc/52/63/60/388526360.db2.gz LLLSEUDIZFVKQC-RYUDHWBXSA-N 0 3 225.282 3.047 20 0 BGADHN Cc1ccc(CN[C@@H]2C[C@H]2C(F)F)c(C)c1 ZINC000348184186 136044094 /nfs/dbraw/zinc/04/40/94/136044094.db2.gz LLLSEUDIZFVKQC-VXGBXAGGSA-N 0 3 225.282 3.047 20 0 BGADHN CC[C@H]1CCC[C@H]1NCc1cn2ccsc2n1 ZINC000348185079 398332365 /nfs/dbraw/zinc/33/23/65/398332365.db2.gz POOQXGIQTYYIMX-CMPLNLGQSA-N 0 3 249.383 3.064 20 0 BGADHN CC[C@H]1CCC[C@@H]1NCc1cn2ccsc2n1 ZINC000348185080 383931610 /nfs/dbraw/zinc/93/16/10/383931610.db2.gz POOQXGIQTYYIMX-JQWIXIFHSA-N 0 3 249.383 3.064 20 0 BGADHN CC[C@@H]1CCC[C@@H]1NCc1cn2ccsc2n1 ZINC000348185081 344645926 /nfs/dbraw/zinc/64/59/26/344645926.db2.gz POOQXGIQTYYIMX-PWSUYJOCSA-N 0 3 249.383 3.064 20 0 BGADHN CC[C@@H]1CCC[C@H]1NCc1cn2ccsc2n1 ZINC000348185082 344645667 /nfs/dbraw/zinc/64/56/67/344645667.db2.gz POOQXGIQTYYIMX-ZYHUDNBSSA-N 0 3 249.383 3.064 20 0 BGADHN CSc1ccc(CN[C@@H]2C[C@H]2C(F)F)cc1 ZINC000348185968 136037855 /nfs/dbraw/zinc/03/78/55/136037855.db2.gz CKPSEGOYDBRETO-GHMZBOCLSA-N 0 3 243.322 3.152 20 0 BGADHN CSc1ccc(CN[C@H]2C[C@H]2C(F)F)cc1 ZINC000348185969 136037831 /nfs/dbraw/zinc/03/78/31/136037831.db2.gz CKPSEGOYDBRETO-MNOVXSKESA-N 0 3 243.322 3.152 20 0 BGADHN CSc1ccc(CN[C@H]2C[C@@H]2C(F)F)cc1 ZINC000348185970 388526895 /nfs/dbraw/zinc/52/68/95/388526895.db2.gz CKPSEGOYDBRETO-QWRGUYRKSA-N 0 3 243.322 3.152 20 0 BGADHN CSc1ccc(CN[C@@H]2C[C@@H]2C(F)F)cc1 ZINC000348185971 136037782 /nfs/dbraw/zinc/03/77/82/136037782.db2.gz CKPSEGOYDBRETO-WDEREUQCSA-N 0 3 243.322 3.152 20 0 BGADHN CC[C@@H]1CCC[C@H]1NCc1nccn1C(C)C ZINC000348186265 136037714 /nfs/dbraw/zinc/03/77/14/136037714.db2.gz QZLCEMKKONBHJQ-CHWSQXEVSA-N 0 3 235.375 3.132 20 0 BGADHN CC[C@@H]1CCC[C@@H]1NCc1nccn1C(C)C ZINC000348186266 136038018 /nfs/dbraw/zinc/03/80/18/136038018.db2.gz QZLCEMKKONBHJQ-OLZOCXBDSA-N 0 3 235.375 3.132 20 0 BGADHN CC[C@H]1CCC[C@H]1NCc1nccn1C(C)C ZINC000348186269 136038012 /nfs/dbraw/zinc/03/80/12/136038012.db2.gz QZLCEMKKONBHJQ-QWHCGFSZSA-N 0 3 235.375 3.132 20 0 BGADHN CC[C@H]1CCC[C@@H]1NCc1nccn1C(C)C ZINC000348186271 536076032 /nfs/dbraw/zinc/07/60/32/536076032.db2.gz QZLCEMKKONBHJQ-STQMWFEESA-N 0 3 235.375 3.132 20 0 BGADHN CSc1ccc(CN[C@@H]2C[C@H]2C(F)F)s1 ZINC000348188111 136048869 /nfs/dbraw/zinc/04/88/69/136048869.db2.gz KNUDDFJZIRQGRY-HTQZYQBOSA-N 0 3 249.351 3.213 20 0 BGADHN CSc1ccc(CN[C@@H]2C[C@@H]2C(F)F)s1 ZINC000348188112 136048680 /nfs/dbraw/zinc/04/86/80/136048680.db2.gz KNUDDFJZIRQGRY-JGVFFNPUSA-N 0 3 249.351 3.213 20 0 BGADHN CSc1ccc(CN[C@H]2C[C@H]2C(F)F)s1 ZINC000348188113 136048572 /nfs/dbraw/zinc/04/85/72/136048572.db2.gz KNUDDFJZIRQGRY-SFYZADRCSA-N 0 3 249.351 3.213 20 0 BGADHN CSc1ccc(CN[C@H]2C[C@@H]2C(F)F)s1 ZINC000348188114 134359273 /nfs/dbraw/zinc/35/92/73/134359273.db2.gz KNUDDFJZIRQGRY-YUMQZZPRSA-N 0 3 249.351 3.213 20 0 BGADHN Cc1cccc(C)c1CN[C@@H]1C[C@@H]1C(F)F ZINC000348188619 136048472 /nfs/dbraw/zinc/04/84/72/136048472.db2.gz RKLSKOAIPWAPDC-CMPLNLGQSA-N 0 3 225.282 3.047 20 0 BGADHN Cc1cccc(C)c1CN[C@H]1C[C@@H]1C(F)F ZINC000348188620 179038189 /nfs/dbraw/zinc/03/81/89/179038189.db2.gz RKLSKOAIPWAPDC-JQWIXIFHSA-N 0 3 225.282 3.047 20 0 BGADHN Cc1cccc(C)c1CN[C@H]1C[C@H]1C(F)F ZINC000348188621 136048838 /nfs/dbraw/zinc/04/88/38/136048838.db2.gz RKLSKOAIPWAPDC-PWSUYJOCSA-N 0 3 225.282 3.047 20 0 BGADHN Cc1cccc(C)c1CN[C@@H]1C[C@H]1C(F)F ZINC000348188622 136048994 /nfs/dbraw/zinc/04/89/94/136048994.db2.gz RKLSKOAIPWAPDC-ZYHUDNBSSA-N 0 3 225.282 3.047 20 0 BGADHN Cc1ccc(CN[C@H]2C[C@H]2C(F)F)cc1C ZINC000348192248 136049454 /nfs/dbraw/zinc/04/94/54/136049454.db2.gz XWXIGGKHEGRWEU-NEPJUHHUSA-N 0 3 225.282 3.047 20 0 BGADHN Cc1ccc(CN[C@@H]2C[C@@H]2C(F)F)cc1C ZINC000348192250 136049625 /nfs/dbraw/zinc/04/96/25/136049625.db2.gz XWXIGGKHEGRWEU-NWDGAFQWSA-N 0 3 225.282 3.047 20 0 BGADHN Cc1ccc(CN[C@H]2C[C@@H]2C(F)F)cc1C ZINC000348192252 383933662 /nfs/dbraw/zinc/93/36/62/383933662.db2.gz XWXIGGKHEGRWEU-RYUDHWBXSA-N 0 3 225.282 3.047 20 0 BGADHN Cc1ccc(CN[C@@H]2C[C@H]2C(F)F)cc1C ZINC000348192253 136049524 /nfs/dbraw/zinc/04/95/24/136049524.db2.gz XWXIGGKHEGRWEU-VXGBXAGGSA-N 0 3 225.282 3.047 20 0 BGADHN Cc1cccc(CN2CCCC3(CCC3)C2)n1 ZINC000348192586 136049599 /nfs/dbraw/zinc/04/95/99/136049599.db2.gz HZGVWRQDMJFWAC-UHFFFAOYSA-N 0 3 230.355 3.156 20 0 BGADHN Cc1ccc(C)c(CN[C@H]2C[C@H]2C(F)F)c1 ZINC000348192789 136049586 /nfs/dbraw/zinc/04/95/86/136049586.db2.gz YVVIZBYKWVPHPJ-NEPJUHHUSA-N 0 3 225.282 3.047 20 0 BGADHN Cc1ccc(C)c(CN[C@@H]2C[C@@H]2C(F)F)c1 ZINC000348192790 136049550 /nfs/dbraw/zinc/04/95/50/136049550.db2.gz YVVIZBYKWVPHPJ-NWDGAFQWSA-N 0 3 225.282 3.047 20 0 BGADHN Cc1ccc(C)c(CN[C@H]2C[C@@H]2C(F)F)c1 ZINC000348192791 388526917 /nfs/dbraw/zinc/52/69/17/388526917.db2.gz YVVIZBYKWVPHPJ-RYUDHWBXSA-N 0 3 225.282 3.047 20 0 BGADHN Cc1ccc(C)c(CN[C@@H]2C[C@H]2C(F)F)c1 ZINC000348192792 136049747 /nfs/dbraw/zinc/04/97/47/136049747.db2.gz YVVIZBYKWVPHPJ-VXGBXAGGSA-N 0 3 225.282 3.047 20 0 BGADHN C[C@H](c1ccccn1)N1CCCC2(CCC2)C1 ZINC000348195657 136051150 /nfs/dbraw/zinc/05/11/50/136051150.db2.gz XZHUJLKLKVYZHU-CYBMUJFWSA-N 0 3 230.355 3.409 20 0 BGADHN C[C@@H](c1ccccn1)N1CCCC2(CCC2)C1 ZINC000348195658 136050763 /nfs/dbraw/zinc/05/07/63/136050763.db2.gz XZHUJLKLKVYZHU-ZDUSSCGKSA-N 0 3 230.355 3.409 20 0 BGADHN COc1ccc(F)cc1CN(C)CC1CCC1 ZINC000348208270 136055595 /nfs/dbraw/zinc/05/55/95/136055595.db2.gz SFLZZAIQDLJDAL-UHFFFAOYSA-N 0 3 237.318 3.066 20 0 BGADHN COc1ccsc1[C@H](C)N[C@@H]1C[C@@H]1C(F)F ZINC000348208477 136055381 /nfs/dbraw/zinc/05/53/81/136055381.db2.gz HXHIRUCFVKVCOY-BIIVOSGPSA-N 0 3 247.310 3.061 20 0 BGADHN COc1ccsc1[C@H](C)N[C@H]1C[C@@H]1C(F)F ZINC000348208478 175380456 /nfs/dbraw/zinc/38/04/56/175380456.db2.gz HXHIRUCFVKVCOY-FXQIFTODSA-N 0 3 247.310 3.061 20 0 BGADHN COc1ccsc1[C@H](C)N[C@H]1C[C@H]1C(F)F ZINC000348208479 136055500 /nfs/dbraw/zinc/05/55/00/136055500.db2.gz HXHIRUCFVKVCOY-RNJXMRFFSA-N 0 3 247.310 3.061 20 0 BGADHN COc1ccsc1[C@H](C)N[C@@H]1C[C@H]1C(F)F ZINC000348208481 136055607 /nfs/dbraw/zinc/05/56/07/136055607.db2.gz HXHIRUCFVKVCOY-XLPZGREQSA-N 0 3 247.310 3.061 20 0 BGADHN Cc1cc(C)cc(CN[C@H]2C[C@H]2C(F)F)c1 ZINC000348210916 136234437 /nfs/dbraw/zinc/23/44/37/136234437.db2.gz ORBZVNOFVAAJGG-NEPJUHHUSA-N 0 3 225.282 3.047 20 0 BGADHN Cc1cc(C)cc(CN[C@@H]2C[C@@H]2C(F)F)c1 ZINC000348210917 136234463 /nfs/dbraw/zinc/23/44/63/136234463.db2.gz ORBZVNOFVAAJGG-NWDGAFQWSA-N 0 3 225.282 3.047 20 0 BGADHN Cc1cc(C)cc(CN[C@H]2C[C@@H]2C(F)F)c1 ZINC000348210918 388527122 /nfs/dbraw/zinc/52/71/22/388527122.db2.gz ORBZVNOFVAAJGG-RYUDHWBXSA-N 0 3 225.282 3.047 20 0 BGADHN Cc1cc(C)cc(CN[C@@H]2C[C@H]2C(F)F)c1 ZINC000348210919 136234407 /nfs/dbraw/zinc/23/44/07/136234407.db2.gz ORBZVNOFVAAJGG-VXGBXAGGSA-N 0 3 225.282 3.047 20 0 BGADHN Fc1ccc(CN[C@@H]2C[C@H]2C(F)F)cc1Cl ZINC000348214440 136046184 /nfs/dbraw/zinc/04/61/84/136046184.db2.gz CIZMXCVYFWLAIS-GMSGAONNSA-N 0 3 249.663 3.222 20 0 BGADHN Fc1ccc(CN[C@@H]2C[C@@H]2C(F)F)cc1Cl ZINC000348214441 136046054 /nfs/dbraw/zinc/04/60/54/136046054.db2.gz CIZMXCVYFWLAIS-OIBJUYFYSA-N 0 3 249.663 3.222 20 0 BGADHN Fc1ccc(CN[C@H]2C[C@H]2C(F)F)cc1Cl ZINC000348214442 136045976 /nfs/dbraw/zinc/04/59/76/136045976.db2.gz CIZMXCVYFWLAIS-XCBNKYQSSA-N 0 3 249.663 3.222 20 0 BGADHN Fc1ccc(CN[C@H]2C[C@@H]2C(F)F)cc1Cl ZINC000348214443 383938764 /nfs/dbraw/zinc/93/87/64/383938764.db2.gz CIZMXCVYFWLAIS-XVKPBYJWSA-N 0 3 249.663 3.222 20 0 BGADHN Fc1cc(CN[C@@H]2C[C@H]2C(F)F)ccc1Cl ZINC000348214465 136046267 /nfs/dbraw/zinc/04/62/67/136046267.db2.gz CPMAYHODNSBVRQ-GMSGAONNSA-N 0 3 249.663 3.222 20 0 BGADHN Fc1cc(CN[C@@H]2C[C@@H]2C(F)F)ccc1Cl ZINC000348214466 136045992 /nfs/dbraw/zinc/04/59/92/136045992.db2.gz CPMAYHODNSBVRQ-OIBJUYFYSA-N 0 3 249.663 3.222 20 0 BGADHN Fc1cc(CN[C@H]2C[C@H]2C(F)F)ccc1Cl ZINC000348214467 136046324 /nfs/dbraw/zinc/04/63/24/136046324.db2.gz CPMAYHODNSBVRQ-XCBNKYQSSA-N 0 3 249.663 3.222 20 0 BGADHN Fc1cc(CN[C@H]2C[C@@H]2C(F)F)ccc1Cl ZINC000348214468 383942813 /nfs/dbraw/zinc/94/28/13/383942813.db2.gz CPMAYHODNSBVRQ-XVKPBYJWSA-N 0 3 249.663 3.222 20 0 BGADHN FC(F)[C@@H]1C[C@@H]1N[C@@H]1CCCc2sccc21 ZINC000348216653 136046884 /nfs/dbraw/zinc/04/68/84/136046884.db2.gz DMULLHPSTKNTDD-BBBLOLIVSA-N 0 3 243.322 3.369 20 0 BGADHN FC(F)[C@@H]1C[C@H]1N[C@H]1CCCc2sccc21 ZINC000348216655 136046443 /nfs/dbraw/zinc/04/64/43/136046443.db2.gz DMULLHPSTKNTDD-KXUCPTDWSA-N 0 3 243.322 3.369 20 0 BGADHN FC(F)[C@@H]1C[C@H]1N[C@@H]1CCCc2sccc21 ZINC000348216657 136046599 /nfs/dbraw/zinc/04/65/99/136046599.db2.gz DMULLHPSTKNTDD-OPRDCNLKSA-N 0 3 243.322 3.369 20 0 BGADHN FC(F)[C@@H]1C[C@@H]1N[C@H]1CCCc2sccc21 ZINC000348216659 136046456 /nfs/dbraw/zinc/04/64/56/136046456.db2.gz DMULLHPSTKNTDD-UTLUCORTSA-N 0 3 243.322 3.369 20 0 BGADHN Fc1cc(Cl)cc(CN[C@@H]2C[C@H]2C(F)F)c1 ZINC000348216713 136046774 /nfs/dbraw/zinc/04/67/74/136046774.db2.gz DXAUNGCKFTXZET-NXEZZACHSA-N 0 3 249.663 3.222 20 0 BGADHN Fc1cc(Cl)cc(CN[C@H]2C[C@@H]2C(F)F)c1 ZINC000348216714 180949284 /nfs/dbraw/zinc/94/92/84/180949284.db2.gz DXAUNGCKFTXZET-UWVGGRQHSA-N 0 3 249.663 3.222 20 0 BGADHN CCc1ccc(CN(CC)CCC2CC2)cn1 ZINC000348216825 536172886 /nfs/dbraw/zinc/17/28/86/536172886.db2.gz CGPGJUURJWAFAH-UHFFFAOYSA-N 0 3 232.371 3.266 20 0 BGADHN Fc1cc(Cl)cc(CN[C@@H]2C[C@@H]2C(F)F)c1 ZINC000348217912 136046570 /nfs/dbraw/zinc/04/65/70/136046570.db2.gz DXAUNGCKFTXZET-VHSXEESVSA-N 0 3 249.663 3.222 20 0 BGADHN Fc1cc(Cl)cc(CN[C@H]2C[C@H]2C(F)F)c1 ZINC000348217913 136046799 /nfs/dbraw/zinc/04/67/99/136046799.db2.gz DXAUNGCKFTXZET-ZJUUUORDSA-N 0 3 249.663 3.222 20 0 BGADHN FC(F)[C@@H]1C[C@H]1NCc1ccc(Cl)cc1 ZINC000348219354 136047247 /nfs/dbraw/zinc/04/72/47/136047247.db2.gz MKMKQAYSZOAOFA-NXEZZACHSA-N 0 3 231.673 3.083 20 0 BGADHN FC(F)[C@H]1C[C@@H]1NCc1ccc(Cl)cc1 ZINC000348219355 388527073 /nfs/dbraw/zinc/52/70/73/388527073.db2.gz MKMKQAYSZOAOFA-UWVGGRQHSA-N 0 3 231.673 3.083 20 0 BGADHN FC(F)[C@H]1C[C@H]1NCc1ccc(Cl)cc1 ZINC000348219356 136046926 /nfs/dbraw/zinc/04/69/26/136046926.db2.gz MKMKQAYSZOAOFA-VHSXEESVSA-N 0 3 231.673 3.083 20 0 BGADHN FC(F)[C@@H]1C[C@@H]1NCc1ccc(Cl)cc1 ZINC000348219357 136047049 /nfs/dbraw/zinc/04/70/49/136047049.db2.gz MKMKQAYSZOAOFA-ZJUUUORDSA-N 0 3 231.673 3.083 20 0 BGADHN C[C@@H]1CN(CCC2CCCC2)C[C@@H](C2CC2)O1 ZINC000348221482 136046974 /nfs/dbraw/zinc/04/69/74/136046974.db2.gz DQAWZCXEISJZCT-DOMZBBRYSA-N 0 3 237.387 3.066 20 0 BGADHN C[C@@H]1CN(CCC2CCCC2)C[C@H](C2CC2)O1 ZINC000348221485 136047063 /nfs/dbraw/zinc/04/70/63/136047063.db2.gz DQAWZCXEISJZCT-IUODEOHRSA-N 0 3 237.387 3.066 20 0 BGADHN C[C@H]1CN(CCC2CCCC2)C[C@H](C2CC2)O1 ZINC000348221488 136047377 /nfs/dbraw/zinc/04/73/77/136047377.db2.gz DQAWZCXEISJZCT-SWLSCSKDSA-N 0 3 237.387 3.066 20 0 BGADHN C[C@H]1CN(CCC2CCCC2)C[C@@H](C2CC2)O1 ZINC000348221491 136047304 /nfs/dbraw/zinc/04/73/04/136047304.db2.gz DQAWZCXEISJZCT-WFASDCNBSA-N 0 3 237.387 3.066 20 0 BGADHN C[C@@H](c1ccccc1)N1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000348221529 136047288 /nfs/dbraw/zinc/04/72/88/136047288.db2.gz DSKLQXNTVDSYJT-DVOMOZLQSA-N 0 3 245.366 3.247 20 0 BGADHN C[C@H](c1ccccc1)N1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000348221531 136047117 /nfs/dbraw/zinc/04/71/17/136047117.db2.gz DSKLQXNTVDSYJT-IOASZLSFSA-N 0 3 245.366 3.247 20 0 BGADHN C[C@@H](c1ccccc1)N1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000348221534 136047211 /nfs/dbraw/zinc/04/72/11/136047211.db2.gz DSKLQXNTVDSYJT-WWGRRREGSA-N 0 3 245.366 3.247 20 0 BGADHN C[C@H](c1ccccc1)N1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000348221536 136046970 /nfs/dbraw/zinc/04/69/70/136046970.db2.gz DSKLQXNTVDSYJT-XJKCOSOUSA-N 0 3 245.366 3.247 20 0 BGADHN FC(F)[C@H]1C[C@@H]1NCc1ccc(Cl)s1 ZINC000348221626 136047152 /nfs/dbraw/zinc/04/71/52/136047152.db2.gz OZXFQHFZKFSCBK-BQBZGAKWSA-N 0 3 237.702 3.145 20 0 BGADHN FC(F)[C@H]1C[C@H]1NCc1ccc(Cl)s1 ZINC000348221629 136047121 /nfs/dbraw/zinc/04/71/21/136047121.db2.gz OZXFQHFZKFSCBK-NKWVEPMBSA-N 0 3 237.702 3.145 20 0 BGADHN FC(F)[C@@H]1C[C@H]1NCc1ccc(Cl)s1 ZINC000348221630 136047403 /nfs/dbraw/zinc/04/74/03/136047403.db2.gz OZXFQHFZKFSCBK-RNFRBKRXSA-N 0 3 237.702 3.145 20 0 BGADHN FC(F)[C@@H]1C[C@@H]1NCc1ccc(Cl)s1 ZINC000348221633 136047273 /nfs/dbraw/zinc/04/72/73/136047273.db2.gz OZXFQHFZKFSCBK-RQJHMYQMSA-N 0 3 237.702 3.145 20 0 BGADHN FC(F)[C@@H]1C[C@H]1NCc1cccc(Cl)c1 ZINC000348224442 136047606 /nfs/dbraw/zinc/04/76/06/136047606.db2.gz SAMVJNNEYDHHMJ-NXEZZACHSA-N 0 3 231.673 3.083 20 0 BGADHN FC(F)[C@H]1C[C@@H]1NCc1cccc(Cl)c1 ZINC000348224443 136047790 /nfs/dbraw/zinc/04/77/90/136047790.db2.gz SAMVJNNEYDHHMJ-UWVGGRQHSA-N 0 3 231.673 3.083 20 0 BGADHN FC(F)[C@H]1C[C@H]1NCc1cccc(Cl)c1 ZINC000348224445 136047613 /nfs/dbraw/zinc/04/76/13/136047613.db2.gz SAMVJNNEYDHHMJ-VHSXEESVSA-N 0 3 231.673 3.083 20 0 BGADHN FC(F)[C@@H]1C[C@@H]1NCc1cccc(Cl)c1 ZINC000348224446 136047644 /nfs/dbraw/zinc/04/76/44/136047644.db2.gz SAMVJNNEYDHHMJ-ZJUUUORDSA-N 0 3 231.673 3.083 20 0 BGADHN FC(F)[C@@H]1C[C@H]1NCc1cc(Cl)cs1 ZINC000348228650 136060335 /nfs/dbraw/zinc/06/03/35/136060335.db2.gz PLHYUWRRILGAMC-HTQZYQBOSA-N 0 3 237.702 3.145 20 0 BGADHN FC(F)[C@H]1C[C@H]1NCc1cc(Cl)cs1 ZINC000348228653 136060518 /nfs/dbraw/zinc/06/05/18/136060518.db2.gz PLHYUWRRILGAMC-JGVFFNPUSA-N 0 3 237.702 3.145 20 0 BGADHN FC(F)[C@@H]1C[C@@H]1NCc1cc(Cl)cs1 ZINC000348228654 136060421 /nfs/dbraw/zinc/06/04/21/136060421.db2.gz PLHYUWRRILGAMC-SFYZADRCSA-N 0 3 237.702 3.145 20 0 BGADHN FC(F)[C@H]1C[C@@H]1NCc1cc(Cl)cs1 ZINC000348228657 388527066 /nfs/dbraw/zinc/52/70/66/388527066.db2.gz PLHYUWRRILGAMC-YUMQZZPRSA-N 0 3 237.702 3.145 20 0 BGADHN CCSCCN1CC[C@H](C(F)(F)F)[C@H]1C ZINC000348234333 136060644 /nfs/dbraw/zinc/06/06/44/136060644.db2.gz BEPYIOZJCUKMRV-BDAKNGLRSA-N 0 3 241.322 3.012 20 0 BGADHN CCSCCN1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000348234334 136060676 /nfs/dbraw/zinc/06/06/76/136060676.db2.gz BEPYIOZJCUKMRV-DTWKUNHWSA-N 0 3 241.322 3.012 20 0 BGADHN CCSCCN1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000348234335 136060684 /nfs/dbraw/zinc/06/06/84/136060684.db2.gz BEPYIOZJCUKMRV-IUCAKERBSA-N 0 3 241.322 3.012 20 0 BGADHN CCSCCN1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000348234336 136060881 /nfs/dbraw/zinc/06/08/81/136060881.db2.gz BEPYIOZJCUKMRV-RKDXNWHRSA-N 0 3 241.322 3.012 20 0 BGADHN C(CC1CCCC1)CN1CCSCC1 ZINC000348248152 136056649 /nfs/dbraw/zinc/05/66/49/136056649.db2.gz ORUCCOCTDBBJED-UHFFFAOYSA-N 0 3 213.390 3.006 20 0 BGADHN C[C@H]1[C@H](C(F)(F)F)CCN1Cc1ccccc1 ZINC000348248854 136056710 /nfs/dbraw/zinc/05/67/10/136056710.db2.gz VRYKHWFPRSJQEM-CMPLNLGQSA-N 0 3 243.272 3.459 20 0 BGADHN C[C@H]1[C@@H](C(F)(F)F)CCN1Cc1ccccc1 ZINC000348248855 136056599 /nfs/dbraw/zinc/05/65/99/136056599.db2.gz VRYKHWFPRSJQEM-JQWIXIFHSA-N 0 3 243.272 3.459 20 0 BGADHN C[C@@H]1[C@@H](C(F)(F)F)CCN1Cc1ccccc1 ZINC000348248856 136056795 /nfs/dbraw/zinc/05/67/95/136056795.db2.gz VRYKHWFPRSJQEM-PWSUYJOCSA-N 0 3 243.272 3.459 20 0 BGADHN C[C@@H]1[C@H](C(F)(F)F)CCN1Cc1ccccc1 ZINC000348248857 136056943 /nfs/dbraw/zinc/05/69/43/136056943.db2.gz VRYKHWFPRSJQEM-ZYHUDNBSSA-N 0 3 243.272 3.459 20 0 BGADHN CC[C@H](CNCc1cc(C)on1)c1ccccc1 ZINC000348253390 136057476 /nfs/dbraw/zinc/05/74/76/136057476.db2.gz DGQBRHLKQGAJFD-CYBMUJFWSA-N 0 3 244.338 3.266 20 0 BGADHN CC[C@@H](CNCc1cc(C)on1)c1ccccc1 ZINC000348253392 136057068 /nfs/dbraw/zinc/05/70/68/136057068.db2.gz DGQBRHLKQGAJFD-ZDUSSCGKSA-N 0 3 244.338 3.266 20 0 BGADHN C[C@@H]1CN(CCCC2CCCC2)C[C@H](C)O1 ZINC000348266983 136058065 /nfs/dbraw/zinc/05/80/65/136058065.db2.gz JWOLAZJLYCBBDJ-BETUJISGSA-N 0 3 225.376 3.066 20 0 BGADHN C[C@@H]1CN(CCCC2CCCC2)C[C@@H](C)O1 ZINC000348266984 136058392 /nfs/dbraw/zinc/05/83/92/136058392.db2.gz JWOLAZJLYCBBDJ-CHWSQXEVSA-N 0 3 225.376 3.066 20 0 BGADHN C[C@H]1CN(CCCC2CCCC2)C[C@H](C)O1 ZINC000348266985 136058115 /nfs/dbraw/zinc/05/81/15/136058115.db2.gz JWOLAZJLYCBBDJ-STQMWFEESA-N 0 3 225.376 3.066 20 0 BGADHN CC[C@]1(C)CCN(CCc2csc(C)n2)C1 ZINC000348270446 535908444 /nfs/dbraw/zinc/90/84/44/535908444.db2.gz YDPISIGYURVKAJ-CYBMUJFWSA-N 0 3 238.400 3.116 20 0 BGADHN CC[C@@]1(C)CCN(CCc2csc(C)n2)C1 ZINC000348270447 536049038 /nfs/dbraw/zinc/04/90/38/536049038.db2.gz YDPISIGYURVKAJ-ZDUSSCGKSA-N 0 3 238.400 3.116 20 0 BGADHN COc1ccc(F)cc1CN[C@H]1CC[C@H]1C1CC1 ZINC000348274452 136059479 /nfs/dbraw/zinc/05/94/79/136059479.db2.gz BPOUUPXANTXOED-KBPBESRZSA-N 0 3 249.329 3.113 20 0 BGADHN COc1ccc(F)cc1CN[C@H]1CC[C@@H]1C1CC1 ZINC000348274453 136059133 /nfs/dbraw/zinc/05/91/33/136059133.db2.gz BPOUUPXANTXOED-KGLIPLIRSA-N 0 3 249.329 3.113 20 0 BGADHN COc1ccc(F)cc1CN[C@@H]1CC[C@H]1C1CC1 ZINC000348274454 136059515 /nfs/dbraw/zinc/05/95/15/136059515.db2.gz BPOUUPXANTXOED-UONOGXRCSA-N 0 3 249.329 3.113 20 0 BGADHN COc1ccc(F)cc1CN[C@@H]1CC[C@@H]1C1CC1 ZINC000348274455 136059107 /nfs/dbraw/zinc/05/91/07/136059107.db2.gz BPOUUPXANTXOED-ZIAGYGMSSA-N 0 3 249.329 3.113 20 0 BGADHN FC(F)[C@@H]1C[C@@H]1N[C@H]1CCCc2ccccc21 ZINC000348277048 136059498 /nfs/dbraw/zinc/05/94/98/136059498.db2.gz FVZVMSJAVSOWAO-AGIUHOORSA-N 0 3 237.293 3.307 20 0 BGADHN FC(F)[C@@H]1C[C@H]1N[C@H]1CCCc2ccccc21 ZINC000348277049 136059318 /nfs/dbraw/zinc/05/93/18/136059318.db2.gz FVZVMSJAVSOWAO-FRRDWIJNSA-N 0 3 237.293 3.307 20 0 BGADHN FC(F)[C@@H]1C[C@H]1N[C@@H]1CCCc2ccccc21 ZINC000348277050 136059051 /nfs/dbraw/zinc/05/90/51/136059051.db2.gz FVZVMSJAVSOWAO-JHJVBQTASA-N 0 3 237.293 3.307 20 0 BGADHN FC(F)[C@@H]1C[C@@H]1N[C@@H]1CCCc2ccccc21 ZINC000348277052 136059340 /nfs/dbraw/zinc/05/93/40/136059340.db2.gz FVZVMSJAVSOWAO-UPJWGTAASA-N 0 3 237.293 3.307 20 0 BGADHN Fc1ccc2c(c1)CC[C@@H]2N[C@@H]1C[C@H]1C(F)F ZINC000348282031 136059794 /nfs/dbraw/zinc/05/97/94/136059794.db2.gz BBEARLJGQJTBOM-GRYCIOLGSA-N 0 3 241.256 3.056 20 0 BGADHN Fc1ccc2c(c1)CC[C@@H]2N[C@@H]1C[C@@H]1C(F)F ZINC000348282032 136059605 /nfs/dbraw/zinc/05/96/05/136059605.db2.gz BBEARLJGQJTBOM-SDDRHHMPSA-N 0 3 241.256 3.056 20 0 BGADHN Fc1ccc2c(c1)CC[C@@H]2N[C@H]1C[C@@H]1C(F)F ZINC000348282033 136060014 /nfs/dbraw/zinc/06/00/14/136060014.db2.gz BBEARLJGQJTBOM-SRVKXCTJSA-N 0 3 241.256 3.056 20 0 BGADHN Fc1ccc2c(c1)CC[C@@H]2N[C@H]1C[C@H]1C(F)F ZINC000348282034 136059888 /nfs/dbraw/zinc/05/98/88/136059888.db2.gz BBEARLJGQJTBOM-WOPDTQHZSA-N 0 3 241.256 3.056 20 0 BGADHN CC1(C)CN(CCCC2CCCC2)CCO1 ZINC000348282779 136060024 /nfs/dbraw/zinc/06/00/24/136060024.db2.gz OVBHSKHXCSUNFF-UHFFFAOYSA-N 0 3 225.376 3.068 20 0 BGADHN Cc1cnn(C)c1CN(C)[C@H](C)C1CCCCC1 ZINC000348284511 136059960 /nfs/dbraw/zinc/05/99/60/136059960.db2.gz IYHNGGMIISVOKG-CYBMUJFWSA-N 0 3 249.402 3.129 20 0 BGADHN Cc1cnn(C)c1CN(C)[C@@H](C)C1CCCCC1 ZINC000348284512 136059629 /nfs/dbraw/zinc/05/96/29/136059629.db2.gz IYHNGGMIISVOKG-ZDUSSCGKSA-N 0 3 249.402 3.129 20 0 BGADHN CC[C@@H]1CC[C@@H]1N[C@@H]1CCOc2ccc(F)cc21 ZINC000348286505 535823837 /nfs/dbraw/zinc/82/38/37/535823837.db2.gz ZLZYNOSKTZPITH-DDTOSNHZSA-N 0 3 249.329 3.428 20 0 BGADHN CC[C@@H]1CC[C@H]1N[C@H]1CCOc2ccc(F)cc21 ZINC000348286507 535824889 /nfs/dbraw/zinc/82/48/89/535824889.db2.gz ZLZYNOSKTZPITH-HONMWMINSA-N 0 3 249.329 3.428 20 0 BGADHN CC[C@@H]1CC[C@H]1N[C@@H]1CCOc2ccc(F)cc21 ZINC000348286509 136061814 /nfs/dbraw/zinc/06/18/14/136061814.db2.gz ZLZYNOSKTZPITH-LERXQTSPSA-N 0 3 249.329 3.428 20 0 BGADHN CC[C@@H]1CC[C@@H]1N[C@H]1CCOc2ccc(F)cc21 ZINC000348286512 136061773 /nfs/dbraw/zinc/06/17/73/136061773.db2.gz ZLZYNOSKTZPITH-SWHYSGLUSA-N 0 3 249.329 3.428 20 0 BGADHN Fc1cccc2c1CC[C@@H]2N[C@@H]1C[C@H]1C(F)F ZINC000348287859 136061666 /nfs/dbraw/zinc/06/16/66/136061666.db2.gz IEKSFJAVNMPOBN-ADEWGFFLSA-N 0 3 241.256 3.056 20 0 BGADHN Fc1cccc2c1CC[C@@H]2N[C@H]1C[C@@H]1C(F)F ZINC000348287860 136061875 /nfs/dbraw/zinc/06/18/75/136061875.db2.gz IEKSFJAVNMPOBN-DLOVCJGASA-N 0 3 241.256 3.056 20 0 BGADHN Fc1cccc2c1CC[C@@H]2N[C@H]1C[C@H]1C(F)F ZINC000348287861 136061827 /nfs/dbraw/zinc/06/18/27/136061827.db2.gz IEKSFJAVNMPOBN-USWWRNFRSA-N 0 3 241.256 3.056 20 0 BGADHN Fc1cccc2c1CC[C@@H]2N[C@@H]1C[C@@H]1C(F)F ZINC000348287862 136061787 /nfs/dbraw/zinc/06/17/87/136061787.db2.gz IEKSFJAVNMPOBN-ZMLRMANQSA-N 0 3 241.256 3.056 20 0 BGADHN Fc1ccc2c(c1)[C@H](N[C@H]1C[C@@H]1C(F)F)CC2 ZINC000348287980 566266785 /nfs/dbraw/zinc/26/67/85/566266785.db2.gz JCBOUKNBPWFXOV-TUAOUCFPSA-N 0 3 241.256 3.056 20 0 BGADHN CCC[C@H](N[C@@H]1C[C@H]1C(F)F)c1cccnc1 ZINC000348292283 136062621 /nfs/dbraw/zinc/06/26/21/136062621.db2.gz NALZMVROJBLPAG-GRYCIOLGSA-N 0 3 240.297 3.166 20 0 BGADHN CCC[C@H](N[C@@H]1C[C@@H]1C(F)F)c1cccnc1 ZINC000348292284 136062272 /nfs/dbraw/zinc/06/22/72/136062272.db2.gz NALZMVROJBLPAG-SDDRHHMPSA-N 0 3 240.297 3.166 20 0 BGADHN CCC[C@H](N[C@H]1C[C@@H]1C(F)F)c1cccnc1 ZINC000348292285 136062238 /nfs/dbraw/zinc/06/22/38/136062238.db2.gz NALZMVROJBLPAG-SRVKXCTJSA-N 0 3 240.297 3.166 20 0 BGADHN CCC[C@H](N[C@H]1C[C@H]1C(F)F)c1cccnc1 ZINC000348292286 136062451 /nfs/dbraw/zinc/06/24/51/136062451.db2.gz NALZMVROJBLPAG-WOPDTQHZSA-N 0 3 240.297 3.166 20 0 BGADHN C[C@H](N[C@@H]1C[C@H]1C(F)F)c1ccc(F)c(F)c1 ZINC000348292324 136062242 /nfs/dbraw/zinc/06/22/42/136062242.db2.gz NMHLMTVAVHTNFL-FMTFEUNWSA-N 0 3 247.235 3.269 20 0 BGADHN C[C@H](N[C@@H]1C[C@@H]1C(F)F)c1ccc(F)c(F)c1 ZINC000348292326 136062304 /nfs/dbraw/zinc/06/23/04/136062304.db2.gz NMHLMTVAVHTNFL-GEOGLEFRSA-N 0 3 247.235 3.269 20 0 BGADHN C[C@H](N[C@H]1C[C@H]1C(F)F)c1ccc(F)c(F)c1 ZINC000348292327 136062607 /nfs/dbraw/zinc/06/26/07/136062607.db2.gz NMHLMTVAVHTNFL-QXHCQDJKSA-N 0 3 247.235 3.269 20 0 BGADHN C[C@H](N[C@H]1C[C@@H]1C(F)F)c1ccc(F)c(F)c1 ZINC000348292328 136062289 /nfs/dbraw/zinc/06/22/89/136062289.db2.gz NMHLMTVAVHTNFL-RASWFIQWSA-N 0 3 247.235 3.269 20 0 BGADHN C[C@H](N[C@H]1C[C@@H]1C(F)F)c1cc(F)cc(F)c1 ZINC000348293505 136063107 /nfs/dbraw/zinc/06/31/07/136063107.db2.gz PJWSGOCCPRMMRY-CYUDJLOBSA-N 0 3 247.235 3.269 20 0 BGADHN C[C@H](N[C@H]1C[C@H]1C(F)F)c1cc(F)cc(F)c1 ZINC000348293507 136062971 /nfs/dbraw/zinc/06/29/71/136062971.db2.gz PJWSGOCCPRMMRY-FZYJTZEISA-N 0 3 247.235 3.269 20 0 BGADHN C[C@H](N[C@@H]1C[C@H]1C(F)F)c1cc(F)cc(F)c1 ZINC000348293509 136063161 /nfs/dbraw/zinc/06/31/61/136063161.db2.gz PJWSGOCCPRMMRY-MQOMDTIOSA-N 0 3 247.235 3.269 20 0 BGADHN C[C@H](N[C@@H]1C[C@@H]1C(F)F)c1cc(F)cc(F)c1 ZINC000348293782 136063027 /nfs/dbraw/zinc/06/30/27/136063027.db2.gz PJWSGOCCPRMMRY-NRZXQICZSA-N 0 3 247.235 3.269 20 0 BGADHN CC[C@@H]1CC[C@H]1N[C@H](C)c1c(F)cncc1F ZINC000348298415 136063552 /nfs/dbraw/zinc/06/35/52/136063552.db2.gz CSEQTGVHIWIGFR-KBVBSXBZSA-N 0 3 240.297 3.199 20 0 BGADHN CC[C@@H]1CC[C@@H]1N[C@H](C)c1c(F)cncc1F ZINC000348298416 535823805 /nfs/dbraw/zinc/82/38/05/535823805.db2.gz CSEQTGVHIWIGFR-LNLATYFQSA-N 0 3 240.297 3.199 20 0 BGADHN CC[C@@H]1CC[C@@H]1N[C@@H](C)c1c(F)cncc1F ZINC000348298417 535823687 /nfs/dbraw/zinc/82/36/87/535823687.db2.gz CSEQTGVHIWIGFR-SBMIAAHKSA-N 0 3 240.297 3.199 20 0 BGADHN CC[C@@H]1CC[C@H]1N[C@@H](C)c1c(F)cncc1F ZINC000348298418 136063527 /nfs/dbraw/zinc/06/35/27/136063527.db2.gz CSEQTGVHIWIGFR-YGOYTEALSA-N 0 3 240.297 3.199 20 0 BGADHN CCC[C@H](N[C@@H]1C[C@H]1C(F)F)c1ccccn1 ZINC000348300076 136063272 /nfs/dbraw/zinc/06/32/72/136063272.db2.gz FQSWPTSWNFWDDZ-ADEWGFFLSA-N 0 3 240.297 3.166 20 0 BGADHN CCC[C@H](N[C@H]1C[C@@H]1C(F)F)c1ccccn1 ZINC000348300078 136063421 /nfs/dbraw/zinc/06/34/21/136063421.db2.gz FQSWPTSWNFWDDZ-DLOVCJGASA-N 0 3 240.297 3.166 20 0 BGADHN CCC[C@H](N[C@H]1C[C@H]1C(F)F)c1ccccn1 ZINC000348300080 136063396 /nfs/dbraw/zinc/06/33/96/136063396.db2.gz FQSWPTSWNFWDDZ-USWWRNFRSA-N 0 3 240.297 3.166 20 0 BGADHN CCC[C@H](N[C@@H]1C[C@@H]1C(F)F)c1ccccn1 ZINC000348300082 136063439 /nfs/dbraw/zinc/06/34/39/136063439.db2.gz FQSWPTSWNFWDDZ-ZMLRMANQSA-N 0 3 240.297 3.166 20 0 BGADHN Fc1ccc2c(c1)[C@H](N[C@H]1CC[C@H]1C1CC1)CO2 ZINC000348300355 537844341 /nfs/dbraw/zinc/84/43/41/537844341.db2.gz JILWOQGYUDUOJG-FPMFFAJLSA-N 0 3 247.313 3.037 20 0 BGADHN Fc1ccc2c(c1)[C@H](N[C@@H]1CC[C@H]1C1CC1)CO2 ZINC000348300356 537844126 /nfs/dbraw/zinc/84/41/26/537844126.db2.gz JILWOQGYUDUOJG-IACUBPJLSA-N 0 3 247.313 3.037 20 0 BGADHN Fc1ccc2c(c1)[C@H](N[C@H]1CC[C@@H]1C1CC1)CO2 ZINC000348300357 537843377 /nfs/dbraw/zinc/84/33/77/537843377.db2.gz JILWOQGYUDUOJG-KWCYVHTRSA-N 0 3 247.313 3.037 20 0 BGADHN Fc1ccc2c(c1)[C@H](N[C@@H]1CC[C@@H]1C1CC1)CO2 ZINC000348300358 537842603 /nfs/dbraw/zinc/84/26/03/537842603.db2.gz JILWOQGYUDUOJG-MRVWCRGKSA-N 0 3 247.313 3.037 20 0 BGADHN CC[C@@H]1CC[C@@H]1N[C@H]1COc2ccc(F)cc21 ZINC000348300563 136063501 /nfs/dbraw/zinc/06/35/01/136063501.db2.gz JJERWUKYTAANDG-ICCXJUOJSA-N 0 3 235.302 3.037 20 0 BGADHN CC[C@@H]1CC[C@@H]1N[C@@H]1COc2ccc(F)cc21 ZINC000348300565 535823830 /nfs/dbraw/zinc/82/38/30/535823830.db2.gz JJERWUKYTAANDG-JIMOISOXSA-N 0 3 235.302 3.037 20 0 BGADHN CC[C@@H]1CC[C@H]1N[C@@H]1COc2ccc(F)cc21 ZINC000348300567 136063332 /nfs/dbraw/zinc/06/33/32/136063332.db2.gz JJERWUKYTAANDG-OASPWFOLSA-N 0 3 235.302 3.037 20 0 BGADHN CC[C@@H]1CC[C@H]1N[C@H]1COc2ccc(F)cc21 ZINC000348300569 535824893 /nfs/dbraw/zinc/82/48/93/535824893.db2.gz JJERWUKYTAANDG-WQAKAFBOSA-N 0 3 235.302 3.037 20 0 BGADHN Cc1ccncc1CNC(C)(C)c1cccs1 ZINC000348307176 136066184 /nfs/dbraw/zinc/06/61/84/136066184.db2.gz LORLUJZIZUAFAY-UHFFFAOYSA-N 0 3 246.379 3.476 20 0 BGADHN CC(C)n1cc([C@H](C)N[C@@H]2CC[C@@H](F)C2)cn1 ZINC000348313202 136067333 /nfs/dbraw/zinc/06/73/33/136067333.db2.gz GHGZEROXNSAGAZ-CYZMBNFOSA-N 0 3 239.338 3.005 20 0 BGADHN CC(C)n1cc([C@H](C)N[C@H]2CC[C@H](F)C2)cn1 ZINC000348313203 136067588 /nfs/dbraw/zinc/06/75/88/136067588.db2.gz GHGZEROXNSAGAZ-DRZSPHRISA-N 0 3 239.338 3.005 20 0 BGADHN CC(C)n1cc([C@H](C)N[C@H]2CC[C@@H](F)C2)cn1 ZINC000348313204 136067550 /nfs/dbraw/zinc/06/75/50/136067550.db2.gz GHGZEROXNSAGAZ-UHTWSYAYSA-N 0 3 239.338 3.005 20 0 BGADHN CC(C)n1cc([C@H](C)N[C@@H]2CC[C@H](F)C2)cn1 ZINC000348313205 136067472 /nfs/dbraw/zinc/06/74/72/136067472.db2.gz GHGZEROXNSAGAZ-WCFLWFBJSA-N 0 3 239.338 3.005 20 0 BGADHN C[C@@H]1CC[C@H](N[C@H]2c3ccc(F)cc3O[C@@H]2C)C1 ZINC000348314331 136067777 /nfs/dbraw/zinc/06/77/77/136067777.db2.gz AXLAFWJTKWBUQU-DSKWVYQCSA-N 0 3 249.329 3.426 20 0 BGADHN C[C@@H]1CC[C@H](N[C@@H]2c3ccc(F)cc3O[C@@H]2C)C1 ZINC000348314332 136068011 /nfs/dbraw/zinc/06/80/11/136068011.db2.gz AXLAFWJTKWBUQU-FCIGDQIPSA-N 0 3 249.329 3.426 20 0 BGADHN C[C@@H]1CC[C@H](N[C@H]2c3ccc(F)cc3O[C@H]2C)C1 ZINC000348314333 136068049 /nfs/dbraw/zinc/06/80/49/136068049.db2.gz AXLAFWJTKWBUQU-GOMXZESMSA-N 0 3 249.329 3.426 20 0 BGADHN C[C@@H]1CC[C@H](N[C@@H]2c3ccc(F)cc3O[C@H]2C)C1 ZINC000348314335 136068076 /nfs/dbraw/zinc/06/80/76/136068076.db2.gz AXLAFWJTKWBUQU-YOLKCXPHSA-N 0 3 249.329 3.426 20 0 BGADHN CCc1cccnc1[C@H](C)N[C@@H]1CC[C@@H](F)C1 ZINC000348315824 136068291 /nfs/dbraw/zinc/06/82/91/136068291.db2.gz CVLAVUYOFLCFKG-CYZMBNFOSA-N 0 3 236.334 3.185 20 0 BGADHN CCc1cccnc1[C@H](C)N[C@H]1CC[C@H](F)C1 ZINC000348315826 535990966 /nfs/dbraw/zinc/99/09/66/535990966.db2.gz CVLAVUYOFLCFKG-DRZSPHRISA-N 0 3 236.334 3.185 20 0 BGADHN CCc1cccnc1[C@H](C)N[C@H]1CC[C@@H](F)C1 ZINC000348315828 535990761 /nfs/dbraw/zinc/99/07/61/535990761.db2.gz CVLAVUYOFLCFKG-UHTWSYAYSA-N 0 3 236.334 3.185 20 0 BGADHN CCc1cccnc1[C@H](C)N[C@@H]1CC[C@H](F)C1 ZINC000348315830 535990889 /nfs/dbraw/zinc/99/08/89/535990889.db2.gz CVLAVUYOFLCFKG-WCFLWFBJSA-N 0 3 236.334 3.185 20 0 BGADHN CC(C)[C@H](N[C@H]1C[C@@H]1C(F)F)c1cccnc1 ZINC000348316111 535128077 /nfs/dbraw/zinc/12/80/77/535128077.db2.gz WRIVLWQVOSQKTB-SRVKXCTJSA-N 0 3 240.297 3.022 20 0 BGADHN CC(C)[C@H](N[C@@H]1C[C@@H]1C(F)F)c1cccnc1 ZINC000348316112 136068278 /nfs/dbraw/zinc/06/82/78/136068278.db2.gz WRIVLWQVOSQKTB-TUAOUCFPSA-N 0 3 240.297 3.022 20 0 BGADHN CC(C)[C@H](N[C@@H]1C[C@H]1C(F)F)c1cccnc1 ZINC000348316113 136068206 /nfs/dbraw/zinc/06/82/06/136068206.db2.gz WRIVLWQVOSQKTB-UTUOFQBUSA-N 0 3 240.297 3.022 20 0 BGADHN CC(C)[C@H](N[C@H]1C[C@H]1C(F)F)c1cccnc1 ZINC000348316114 535127563 /nfs/dbraw/zinc/12/75/63/535127563.db2.gz WRIVLWQVOSQKTB-WOPDTQHZSA-N 0 3 240.297 3.022 20 0 BGADHN Cc1cccc(OCCN2CCC23CCC3)c1 ZINC000348316994 136068458 /nfs/dbraw/zinc/06/84/58/136068458.db2.gz FTIIZWPPJRIHDE-UHFFFAOYSA-N 0 3 231.339 3.002 20 0 BGADHN CC[C@@H]1CC[C@@H]1N[C@@H]1CCOc2c(F)cccc21 ZINC000348317324 535823775 /nfs/dbraw/zinc/82/37/75/535823775.db2.gz XNQQENODIKIWEB-DDTOSNHZSA-N 0 3 249.329 3.428 20 0 BGADHN CC[C@@H]1CC[C@H]1N[C@H]1CCOc2c(F)cccc21 ZINC000348317326 535824926 /nfs/dbraw/zinc/82/49/26/535824926.db2.gz XNQQENODIKIWEB-HONMWMINSA-N 0 3 249.329 3.428 20 0 BGADHN CC[C@@H]1CC[C@H]1N[C@@H]1CCOc2c(F)cccc21 ZINC000348317327 136068503 /nfs/dbraw/zinc/06/85/03/136068503.db2.gz XNQQENODIKIWEB-LERXQTSPSA-N 0 3 249.329 3.428 20 0 BGADHN CC[C@@H]1CC[C@@H]1N[C@H]1CCOc2c(F)cccc21 ZINC000348317328 136068684 /nfs/dbraw/zinc/06/86/84/136068684.db2.gz XNQQENODIKIWEB-SWHYSGLUSA-N 0 3 249.329 3.428 20 0 BGADHN CC[C@H]1CC[C@@H]1NCc1cc(F)ccc1OC ZINC000348320405 136069189 /nfs/dbraw/zinc/06/91/89/136069189.db2.gz ZWAKWFPKGSESPR-GWCFXTLKSA-N 0 3 237.318 3.113 20 0 BGADHN CC[C@H]1CC[C@H]1NCc1cc(F)ccc1OC ZINC000348320406 536099455 /nfs/dbraw/zinc/09/94/55/536099455.db2.gz ZWAKWFPKGSESPR-GXFFZTMASA-N 0 3 237.318 3.113 20 0 BGADHN CC[C@@H]1CC[C@@H]1NCc1cc(F)ccc1OC ZINC000348320407 136069250 /nfs/dbraw/zinc/06/92/50/136069250.db2.gz ZWAKWFPKGSESPR-MFKMUULPSA-N 0 3 237.318 3.113 20 0 BGADHN CC[C@@H]1CC[C@H]1NCc1cc(F)ccc1OC ZINC000348320408 136069279 /nfs/dbraw/zinc/06/92/79/136069279.db2.gz ZWAKWFPKGSESPR-ZWNOBZJWSA-N 0 3 237.318 3.113 20 0 BGADHN C[C@H](NCCC1(F)CCC1)c1cncc(F)c1 ZINC000348321565 136069452 /nfs/dbraw/zinc/06/94/52/136069452.db2.gz HXECEEBXDSJXEE-JTQLQIEISA-N 0 3 240.297 3.154 20 0 BGADHN C[C@@H](NCCC1(F)CCC1)c1cncc(F)c1 ZINC000348321566 136069454 /nfs/dbraw/zinc/06/94/54/136069454.db2.gz HXECEEBXDSJXEE-SNVBAGLBSA-N 0 3 240.297 3.154 20 0 BGADHN COCCCC[C@H](NCCF)c1ccccc1 ZINC000348322112 536884709 /nfs/dbraw/zinc/88/47/09/536884709.db2.gz OWECYJDIVKDOQN-AWEZNQCLSA-N 0 3 239.334 3.104 20 0 BGADHN COCCCC[C@@H](NCCF)c1ccccc1 ZINC000348322113 136069529 /nfs/dbraw/zinc/06/95/29/136069529.db2.gz OWECYJDIVKDOQN-CQSZACIVSA-N 0 3 239.334 3.104 20 0 BGADHN CC(C)CC[C@@H]1CCC[C@@H]1NCc1nccn1C ZINC000348322880 136069727 /nfs/dbraw/zinc/06/97/27/136069727.db2.gz WASGCONOZOGBCN-KBPBESRZSA-N 0 3 249.402 3.115 20 0 BGADHN CC(C)CC[C@H]1CCC[C@@H]1NCc1nccn1C ZINC000348322882 534957634 /nfs/dbraw/zinc/95/76/34/534957634.db2.gz WASGCONOZOGBCN-KGLIPLIRSA-N 0 3 249.402 3.115 20 0 BGADHN CC(C)CC[C@@H]1CCC[C@H]1NCc1nccn1C ZINC000348322884 534930357 /nfs/dbraw/zinc/93/03/57/534930357.db2.gz WASGCONOZOGBCN-UONOGXRCSA-N 0 3 249.402 3.115 20 0 BGADHN CC(C)CC[C@H]1CCC[C@H]1NCc1nccn1C ZINC000348322887 136069854 /nfs/dbraw/zinc/06/98/54/136069854.db2.gz WASGCONOZOGBCN-ZIAGYGMSSA-N 0 3 249.402 3.115 20 0 BGADHN CC[C@@H]1CC[C@@H]1NCc1ccc2c(n1)CCCC2 ZINC000348330153 136074760 /nfs/dbraw/zinc/07/47/60/136074760.db2.gz HQYMNQBXQGWVRJ-DOMZBBRYSA-N 0 3 244.382 3.239 20 0 BGADHN CC[C@@H]1CC[C@H]1NCc1ccc2c(n1)CCCC2 ZINC000348330154 136074666 /nfs/dbraw/zinc/07/46/66/136074666.db2.gz HQYMNQBXQGWVRJ-IUODEOHRSA-N 0 3 244.382 3.239 20 0 BGADHN CC[C@H]1CC[C@H]1NCc1ccc2c(n1)CCCC2 ZINC000348330155 536100034 /nfs/dbraw/zinc/10/00/34/536100034.db2.gz HQYMNQBXQGWVRJ-SWLSCSKDSA-N 0 3 244.382 3.239 20 0 BGADHN CC[C@H]1CC[C@@H]1NCc1ccc2c(n1)CCCC2 ZINC000348330156 136074485 /nfs/dbraw/zinc/07/44/85/136074485.db2.gz HQYMNQBXQGWVRJ-WFASDCNBSA-N 0 3 244.382 3.239 20 0 BGADHN C[C@H](NCCC1(F)CCC1)c1ccc(F)cn1 ZINC000348331242 136075074 /nfs/dbraw/zinc/07/50/74/136075074.db2.gz VDCAWOJNRFXILC-JTQLQIEISA-N 0 3 240.297 3.154 20 0 BGADHN C[C@@H](NCCC1(F)CCC1)c1ccc(F)cn1 ZINC000348331243 136075122 /nfs/dbraw/zinc/07/51/22/136075122.db2.gz VDCAWOJNRFXILC-SNVBAGLBSA-N 0 3 240.297 3.154 20 0 BGADHN Cc1cc(CN2CCC=C(C)C2)cc(C)c1O ZINC000348338306 136075680 /nfs/dbraw/zinc/07/56/80/136075680.db2.gz GLHXJDVSOZOYFO-UHFFFAOYSA-N 0 3 231.339 3.161 20 0 BGADHN C[C@@H]1Oc2cc(F)ccc2[C@@H]1NC1CCCC1 ZINC000348339602 136071225 /nfs/dbraw/zinc/07/12/25/136071225.db2.gz WSJDJVFOOGPSPG-LKFCYVNXSA-N 0 3 235.302 3.180 20 0 BGADHN C[C@H]1Oc2cc(F)ccc2[C@H]1NC1CCCC1 ZINC000348339607 136071314 /nfs/dbraw/zinc/07/13/14/136071314.db2.gz WSJDJVFOOGPSPG-OTYXRUKQSA-N 0 3 235.302 3.180 20 0 BGADHN C[C@@H]1Oc2cc(F)ccc2[C@H]1NC1CCCC1 ZINC000348339610 136071348 /nfs/dbraw/zinc/07/13/48/136071348.db2.gz WSJDJVFOOGPSPG-XPTSAGLGSA-N 0 3 235.302 3.180 20 0 BGADHN C[C@H]1Oc2cc(F)ccc2[C@@H]1NC1CCCC1 ZINC000348339612 136071372 /nfs/dbraw/zinc/07/13/72/136071372.db2.gz WSJDJVFOOGPSPG-YMTOWFKASA-N 0 3 235.302 3.180 20 0 BGADHN CCc1ccc(CN2CCCC3(CCC3)C2)cn1 ZINC000348342193 136071376 /nfs/dbraw/zinc/07/13/76/136071376.db2.gz LDNUETAEXIYEGH-UHFFFAOYSA-N 0 3 244.382 3.410 20 0 BGADHN CCN(Cc1cc2ccccc2o1)[C@@H]1CCOC1 ZINC000348352704 136072229 /nfs/dbraw/zinc/07/22/29/136072229.db2.gz LSKAIUZLDWLGAF-CYBMUJFWSA-N 0 3 245.322 3.044 20 0 BGADHN CCN(Cc1cc2ccccc2o1)[C@H]1CCOC1 ZINC000348352707 136072027 /nfs/dbraw/zinc/07/20/27/136072027.db2.gz LSKAIUZLDWLGAF-ZDUSSCGKSA-N 0 3 245.322 3.044 20 0 BGADHN CC(C)(C)Oc1cccc(CNC2CCCC2)n1 ZINC000348353990 136072111 /nfs/dbraw/zinc/07/21/11/136072111.db2.gz UXMWDIYUHNKNGG-UHFFFAOYSA-N 0 3 248.370 3.291 20 0 BGADHN CSC1(CN2Cc3ccc(C)cc3C2)CC1 ZINC000348355077 136071942 /nfs/dbraw/zinc/07/19/42/136071942.db2.gz JURDRPGLKYVIPD-UHFFFAOYSA-N 0 3 233.380 3.206 20 0 BGADHN CCc1ccc(CN2CC(C)=C[C@@H](C)C2)cn1 ZINC000348357987 136072734 /nfs/dbraw/zinc/07/27/34/136072734.db2.gz PZEZAQNELSUCHW-GFCCVEGCSA-N 0 3 230.355 3.042 20 0 BGADHN CCc1ccc(CN2CC(C)=C[C@H](C)C2)cn1 ZINC000348357988 136072373 /nfs/dbraw/zinc/07/23/73/136072373.db2.gz PZEZAQNELSUCHW-LBPRGKRZSA-N 0 3 230.355 3.042 20 0 BGADHN CCc1ccc(CN2CCC(C)=C(C)C2)cn1 ZINC000348359920 136072677 /nfs/dbraw/zinc/07/26/77/136072677.db2.gz ABEDPEBRJLBGOI-UHFFFAOYSA-N 0 3 230.355 3.186 20 0 BGADHN CN(Cc1ccnn1C)CC1CCC(C)(C)CC1 ZINC000348366654 136073326 /nfs/dbraw/zinc/07/33/26/136073326.db2.gz QRCMNIQXPZJPSG-UHFFFAOYSA-N 0 3 249.402 3.068 20 0 BGADHN CC[C@H]1CC[C@@H]1NCc1ccc(OC)cc1F ZINC000348367206 136073330 /nfs/dbraw/zinc/07/33/30/136073330.db2.gz CDHMICXYHQAZLK-HZMBPMFUSA-N 0 3 237.318 3.113 20 0 BGADHN CC[C@H]1CC[C@H]1NCc1ccc(OC)cc1F ZINC000348367208 536100016 /nfs/dbraw/zinc/10/00/16/536100016.db2.gz CDHMICXYHQAZLK-IINYFYTJSA-N 0 3 237.318 3.113 20 0 BGADHN CC[C@@H]1CC[C@H]1NCc1ccc(OC)cc1F ZINC000348367209 136073264 /nfs/dbraw/zinc/07/32/64/136073264.db2.gz CDHMICXYHQAZLK-QMTHXVAHSA-N 0 3 237.318 3.113 20 0 BGADHN CC[C@@H]1CC[C@@H]1NCc1ccc(OC)cc1F ZINC000348367210 136073283 /nfs/dbraw/zinc/07/32/83/136073283.db2.gz CDHMICXYHQAZLK-YGRLFVJLSA-N 0 3 237.318 3.113 20 0 BGADHN Cc1cc(CNCCCC2CCCCC2)n(C)n1 ZINC000348370257 136073421 /nfs/dbraw/zinc/07/34/21/136073421.db2.gz VGKWFPIBVMGPLQ-UHFFFAOYSA-N 0 3 249.402 3.179 20 0 BGADHN Cc1ccnc([C@@H](C)NCCC2(F)CCC2)c1 ZINC000348374795 136073865 /nfs/dbraw/zinc/07/38/65/136073865.db2.gz AALWBKUTRAXWLY-GFCCVEGCSA-N 0 3 236.334 3.323 20 0 BGADHN Cc1ccnc([C@H](C)NCCC2(F)CCC2)c1 ZINC000348374796 136073601 /nfs/dbraw/zinc/07/36/01/136073601.db2.gz AALWBKUTRAXWLY-LBPRGKRZSA-N 0 3 236.334 3.323 20 0 BGADHN CC[C@H](N[C@H]1CC[C@H](F)C1)c1ccc(F)cn1 ZINC000348379070 136074389 /nfs/dbraw/zinc/07/43/89/136074389.db2.gz CGVQDWMMTVAHHS-DLOVCJGASA-N 0 3 240.297 3.152 20 0 BGADHN CC[C@H](N[C@@H]1CC[C@@H](F)C1)c1ccc(F)cn1 ZINC000348379073 535940332 /nfs/dbraw/zinc/94/03/32/535940332.db2.gz CGVQDWMMTVAHHS-JLLWLGSASA-N 0 3 240.297 3.152 20 0 BGADHN CCC[C@H](NCc1nccn1C)C1CCCCC1 ZINC000348379600 136074224 /nfs/dbraw/zinc/07/42/24/136074224.db2.gz KEJPPKQAINRLDN-AWEZNQCLSA-N 0 3 249.402 3.259 20 0 BGADHN CCC[C@@H](NCc1nccn1C)C1CCCCC1 ZINC000348379601 136074174 /nfs/dbraw/zinc/07/41/74/136074174.db2.gz KEJPPKQAINRLDN-CQSZACIVSA-N 0 3 249.402 3.259 20 0 BGADHN COCC[C@H](N[C@H]1CC[C@H]1C1CC1)c1ccco1 ZINC000348379882 537895546 /nfs/dbraw/zinc/89/55/46/537895546.db2.gz PTEWBZGPUJDJTJ-IHRRRGAJSA-N 0 3 249.354 3.135 20 0 BGADHN COCC[C@H](N[C@@H]1CC[C@@H]1C1CC1)c1ccco1 ZINC000348379886 537895450 /nfs/dbraw/zinc/89/54/50/537895450.db2.gz PTEWBZGPUJDJTJ-MCIONIFRSA-N 0 3 249.354 3.135 20 0 BGADHN COCC[C@H](N[C@@H]1CC[C@H]1C1CC1)c1ccco1 ZINC000348379890 537895423 /nfs/dbraw/zinc/89/54/23/537895423.db2.gz PTEWBZGPUJDJTJ-MJBXVCDLSA-N 0 3 249.354 3.135 20 0 BGADHN COCC[C@H](N[C@H]1CC[C@@H]1C1CC1)c1ccco1 ZINC000348379893 537895595 /nfs/dbraw/zinc/89/55/95/537895595.db2.gz PTEWBZGPUJDJTJ-RDBSUJKOSA-N 0 3 249.354 3.135 20 0 BGADHN CC[C@H](N[C@H]1CC[C@@H](F)C1)c1ccc(F)cn1 ZINC000348381234 136074258 /nfs/dbraw/zinc/07/42/58/136074258.db2.gz CGVQDWMMTVAHHS-USWWRNFRSA-N 0 3 240.297 3.152 20 0 BGADHN CC[C@H](N[C@@H]1CC[C@H](F)C1)c1ccc(F)cn1 ZINC000348381235 535940764 /nfs/dbraw/zinc/94/07/64/535940764.db2.gz CGVQDWMMTVAHHS-WCQGTBRESA-N 0 3 240.297 3.152 20 0 BGADHN CCC(C)(C)CCN(C)Cc1cccnc1 ZINC000348382157 136074262 /nfs/dbraw/zinc/07/42/62/136074262.db2.gz LKCIBEOZTUDJMR-UHFFFAOYSA-N 0 3 220.360 3.340 20 0 BGADHN COc1ccc(CN[C@@H]2CC[C@H]2C2CC2)c(F)c1 ZINC000348384741 536898191 /nfs/dbraw/zinc/89/81/91/536898191.db2.gz VBVXRJMIHGPTST-DZGCQCFKSA-N 0 3 249.329 3.113 20 0 BGADHN COc1ccc(CN[C@H]2CC[C@@H]2C2CC2)c(F)c1 ZINC000348384742 136078592 /nfs/dbraw/zinc/07/85/92/136078592.db2.gz VBVXRJMIHGPTST-HIFRSBDPSA-N 0 3 249.329 3.113 20 0 BGADHN COc1ccc(CN[C@@H]2CC[C@@H]2C2CC2)c(F)c1 ZINC000348384744 536898091 /nfs/dbraw/zinc/89/80/91/536898091.db2.gz VBVXRJMIHGPTST-UKRRQHHQSA-N 0 3 249.329 3.113 20 0 BGADHN COc1ccc(CN[C@H]2CC[C@H]2C2CC2)c(F)c1 ZINC000348384745 136078886 /nfs/dbraw/zinc/07/88/86/136078886.db2.gz VBVXRJMIHGPTST-ZFWWWQNUSA-N 0 3 249.329 3.113 20 0 BGADHN CC[C@@H]1CC[C@@H]1N[C@@H](CCOC)c1ccco1 ZINC000348385217 535823632 /nfs/dbraw/zinc/82/36/32/535823632.db2.gz VSAFHHXZSHKVRF-AGIUHOORSA-N 0 3 237.343 3.135 20 0 BGADHN CC[C@@H]1CC[C@@H]1N[C@H](CCOC)c1ccco1 ZINC000348385219 535823860 /nfs/dbraw/zinc/82/38/60/535823860.db2.gz VSAFHHXZSHKVRF-FRRDWIJNSA-N 0 3 237.343 3.135 20 0 BGADHN CC[C@@H]1CC[C@H]1N[C@H](CCOC)c1ccco1 ZINC000348385220 535824876 /nfs/dbraw/zinc/82/48/76/535824876.db2.gz VSAFHHXZSHKVRF-JHJVBQTASA-N 0 3 237.343 3.135 20 0 BGADHN CC[C@@H]1CC[C@H]1N[C@@H](CCOC)c1ccco1 ZINC000348385221 136078888 /nfs/dbraw/zinc/07/88/88/136078888.db2.gz VSAFHHXZSHKVRF-UPJWGTAASA-N 0 3 237.343 3.135 20 0 BGADHN CC[C@@H]1CC[C@@H]1NCc1ccn(C2CCCC2)n1 ZINC000348385788 535823667 /nfs/dbraw/zinc/82/36/67/535823667.db2.gz IZWSSLNZYRCDOK-DOMZBBRYSA-N 0 3 247.386 3.276 20 0 BGADHN CC[C@@H]1CC[C@H]1NCc1ccn(C2CCCC2)n1 ZINC000348385789 136079186 /nfs/dbraw/zinc/07/91/86/136079186.db2.gz IZWSSLNZYRCDOK-IUODEOHRSA-N 0 3 247.386 3.276 20 0 BGADHN CC[C@H]1CC[C@H]1NCc1ccn(C2CCCC2)n1 ZINC000348385790 536101019 /nfs/dbraw/zinc/10/10/19/536101019.db2.gz IZWSSLNZYRCDOK-SWLSCSKDSA-N 0 3 247.386 3.276 20 0 BGADHN CC[C@H]1CC[C@@H]1NCc1ccn(C2CCCC2)n1 ZINC000348385791 136078987 /nfs/dbraw/zinc/07/89/87/136078987.db2.gz IZWSSLNZYRCDOK-WFASDCNBSA-N 0 3 247.386 3.276 20 0 BGADHN c1sc(CN[C@H]2CC[C@@H]2C2CC2)nc1C1CC1 ZINC000348386544 537896634 /nfs/dbraw/zinc/89/66/34/537896634.db2.gz XCMMEWZLKQFKDD-NEPJUHHUSA-N 0 3 248.395 3.299 20 0 BGADHN c1sc(CN[C@@H]2CC[C@H]2C2CC2)nc1C1CC1 ZINC000348386545 537897157 /nfs/dbraw/zinc/89/71/57/537897157.db2.gz XCMMEWZLKQFKDD-NWDGAFQWSA-N 0 3 248.395 3.299 20 0 BGADHN c1sc(CN[C@H]2CC[C@H]2C2CC2)nc1C1CC1 ZINC000348386546 537896573 /nfs/dbraw/zinc/89/65/73/537896573.db2.gz XCMMEWZLKQFKDD-RYUDHWBXSA-N 0 3 248.395 3.299 20 0 BGADHN c1sc(CN[C@@H]2CC[C@@H]2C2CC2)nc1C1CC1 ZINC000348386547 537897091 /nfs/dbraw/zinc/89/70/91/537897091.db2.gz XCMMEWZLKQFKDD-VXGBXAGGSA-N 0 3 248.395 3.299 20 0 BGADHN CCc1ccc(CN2CC3(CCC3)C[C@H]2C)cn1 ZINC000348399192 136076614 /nfs/dbraw/zinc/07/66/14/136076614.db2.gz AICBSGBNWLCPEV-CYBMUJFWSA-N 0 3 244.382 3.409 20 0 BGADHN CCc1ccc(CN2CC3(CCC3)C[C@@H]2C)cn1 ZINC000348399195 136076503 /nfs/dbraw/zinc/07/65/03/136076503.db2.gz AICBSGBNWLCPEV-ZDUSSCGKSA-N 0 3 244.382 3.409 20 0 BGADHN C[C@H]1CCC[C@@H](CCN(C)Cc2ccnn2C)C1 ZINC000348407504 136076892 /nfs/dbraw/zinc/07/68/92/136076892.db2.gz PNJWSTVTMZWURW-KBPBESRZSA-N 0 3 249.402 3.068 20 0 BGADHN C[C@@H]1CCC[C@@H](CCN(C)Cc2ccnn2C)C1 ZINC000348407506 136077231 /nfs/dbraw/zinc/07/72/31/136077231.db2.gz PNJWSTVTMZWURW-KGLIPLIRSA-N 0 3 249.402 3.068 20 0 BGADHN C[C@H]1CCC[C@H](CCN(C)Cc2ccnn2C)C1 ZINC000348407508 136077060 /nfs/dbraw/zinc/07/70/60/136077060.db2.gz PNJWSTVTMZWURW-UONOGXRCSA-N 0 3 249.402 3.068 20 0 BGADHN C[C@@H]1CCC[C@H](CCN(C)Cc2ccnn2C)C1 ZINC000348407511 136077089 /nfs/dbraw/zinc/07/70/89/136077089.db2.gz PNJWSTVTMZWURW-ZIAGYGMSSA-N 0 3 249.402 3.068 20 0 BGADHN CC[C@@H]1CC[C@@H]1NCc1nc2cccc(C)c2[nH]1 ZINC000348429206 535823651 /nfs/dbraw/zinc/82/36/51/535823651.db2.gz YABYUTVWEMLEFL-NEPJUHHUSA-N 0 3 243.354 3.150 20 0 BGADHN CC[C@@H]1CC[C@@H]1NCc1nc2c(cccc2C)[nH]1 ZINC000348429206 535823650 /nfs/dbraw/zinc/82/36/50/535823650.db2.gz YABYUTVWEMLEFL-NEPJUHHUSA-N 0 3 243.354 3.150 20 0 BGADHN CC[C@H]1CC[C@H]1NCc1nc2cccc(C)c2[nH]1 ZINC000348429207 536100742 /nfs/dbraw/zinc/10/07/42/536100742.db2.gz YABYUTVWEMLEFL-NWDGAFQWSA-N 0 3 243.354 3.150 20 0 BGADHN CC[C@H]1CC[C@H]1NCc1nc2c(cccc2C)[nH]1 ZINC000348429207 536100738 /nfs/dbraw/zinc/10/07/38/536100738.db2.gz YABYUTVWEMLEFL-NWDGAFQWSA-N 0 3 243.354 3.150 20 0 BGADHN CC[C@H]1CC[C@@H]1NCc1nc2cccc(C)c2[nH]1 ZINC000348429208 136078447 /nfs/dbraw/zinc/07/84/47/136078447.db2.gz YABYUTVWEMLEFL-RYUDHWBXSA-N 0 3 243.354 3.150 20 0 BGADHN CC[C@H]1CC[C@@H]1NCc1nc2c(cccc2C)[nH]1 ZINC000348429208 136078446 /nfs/dbraw/zinc/07/84/46/136078446.db2.gz YABYUTVWEMLEFL-RYUDHWBXSA-N 0 3 243.354 3.150 20 0 BGADHN CC[C@@H]1CC[C@H]1NCc1nc2cccc(C)c2[nH]1 ZINC000348429209 136078412 /nfs/dbraw/zinc/07/84/12/136078412.db2.gz YABYUTVWEMLEFL-VXGBXAGGSA-N 0 3 243.354 3.150 20 0 BGADHN CC[C@@H]1CC[C@H]1NCc1nc2c(cccc2C)[nH]1 ZINC000348429209 136078411 /nfs/dbraw/zinc/07/84/11/136078411.db2.gz YABYUTVWEMLEFL-VXGBXAGGSA-N 0 3 243.354 3.150 20 0 BGADHN CC1CC(N[C@H]2c3ccc(F)cc3O[C@@H]2C)C1 ZINC000348434922 136078523 /nfs/dbraw/zinc/07/85/23/136078523.db2.gz WHOZLMLTTLTNPB-FWELUMEISA-N 0 3 235.302 3.036 20 0 BGADHN CC1CC(N[C@@H]2c3ccc(F)cc3O[C@H]2C)C1 ZINC000348434923 136078384 /nfs/dbraw/zinc/07/83/84/136078384.db2.gz WHOZLMLTTLTNPB-MOHZCQITSA-N 0 3 235.302 3.036 20 0 BGADHN CC1CC(N[C@H]2c3ccc(F)cc3O[C@H]2C)C1 ZINC000348434924 136078322 /nfs/dbraw/zinc/07/83/22/136078322.db2.gz WHOZLMLTTLTNPB-PJSJGCJSSA-N 0 3 235.302 3.036 20 0 BGADHN CC1CC(N[C@@H]2c3ccc(F)cc3O[C@@H]2C)C1 ZINC000348434925 136078149 /nfs/dbraw/zinc/07/81/49/136078149.db2.gz WHOZLMLTTLTNPB-XDOCHKEESA-N 0 3 235.302 3.036 20 0 BGADHN COc1ccccc1[C@H](C)N[C@@H]1CC[C@@H](F)C1 ZINC000348436393 136078848 /nfs/dbraw/zinc/07/88/48/136078848.db2.gz XAXFKNIUGPRIAM-QJPTWQEYSA-N 0 3 237.318 3.236 20 0 BGADHN COc1ccccc1[C@H](C)N[C@@H]1CC[C@H](F)C1 ZINC000348436394 136078652 /nfs/dbraw/zinc/07/86/52/136078652.db2.gz XAXFKNIUGPRIAM-SDDRHHMPSA-N 0 3 237.318 3.236 20 0 BGADHN COc1ccccc1[C@H](C)N[C@H]1CC[C@H](F)C1 ZINC000348436395 136078530 /nfs/dbraw/zinc/07/85/30/136078530.db2.gz XAXFKNIUGPRIAM-SRVKXCTJSA-N 0 3 237.318 3.236 20 0 BGADHN COc1ccccc1[C@H](C)N[C@H]1CC[C@@H](F)C1 ZINC000348436396 136078679 /nfs/dbraw/zinc/07/86/79/136078679.db2.gz XAXFKNIUGPRIAM-TUAOUCFPSA-N 0 3 237.318 3.236 20 0 BGADHN CCC[C@H](N[C@@H]1CC[C@@H](F)C1)c1ccccn1 ZINC000348438200 136078769 /nfs/dbraw/zinc/07/87/69/136078769.db2.gz XYYDHJQZWHYBTK-BZPMIXESSA-N 0 3 236.334 3.403 20 0 BGADHN CCC[C@H](N[C@H]1CC[C@@H](F)C1)c1ccccn1 ZINC000348438201 136078798 /nfs/dbraw/zinc/07/87/98/136078798.db2.gz XYYDHJQZWHYBTK-DYEKYZERSA-N 0 3 236.334 3.403 20 0 BGADHN CCC[C@H](N[C@H]1CC[C@H](F)C1)c1ccccn1 ZINC000348438202 136078724 /nfs/dbraw/zinc/07/87/24/136078724.db2.gz XYYDHJQZWHYBTK-OBJOEFQTSA-N 0 3 236.334 3.403 20 0 BGADHN CCC[C@H](N[C@@H]1CC[C@H](F)C1)c1ccccn1 ZINC000348438204 136078559 /nfs/dbraw/zinc/07/85/59/136078559.db2.gz XYYDHJQZWHYBTK-SCRDCRAPSA-N 0 3 236.334 3.403 20 0 BGADHN Cc1cccc(CN(C)CCC2CCCC2)n1 ZINC000348549892 136095957 /nfs/dbraw/zinc/09/59/57/136095957.db2.gz CMWLIVNMQRIBNF-UHFFFAOYSA-N 0 3 232.371 3.402 20 0 BGADHN CC(C)C[C@H](C)CN[C@@H](c1nccn1C)C1CC1 ZINC000348554434 136096429 /nfs/dbraw/zinc/09/64/29/136096429.db2.gz MDGRFXBFYZMGNL-GXTWGEPZSA-N 0 3 249.402 3.143 20 0 BGADHN CC(C)C[C@H](C)CN[C@H](c1nccn1C)C1CC1 ZINC000348554439 136096372 /nfs/dbraw/zinc/09/63/72/136096372.db2.gz MDGRFXBFYZMGNL-JSGCOSHPSA-N 0 3 249.402 3.143 20 0 BGADHN CC(C)C[C@@H](C)CN[C@H](c1nccn1C)C1CC1 ZINC000348554440 136096644 /nfs/dbraw/zinc/09/66/44/136096644.db2.gz MDGRFXBFYZMGNL-OCCSQVGLSA-N 0 3 249.402 3.143 20 0 BGADHN CC(C)C[C@@H](C)CN[C@@H](c1nccn1C)C1CC1 ZINC000348554442 136096690 /nfs/dbraw/zinc/09/66/90/136096690.db2.gz MDGRFXBFYZMGNL-TZMCWYRMSA-N 0 3 249.402 3.143 20 0 BGADHN COCC(C)(C)CN1CCC=C(c2ccco2)C1 ZINC000348676100 136113485 /nfs/dbraw/zinc/11/34/85/136113485.db2.gz RGMYOSIGDJKSSD-UHFFFAOYSA-N 0 3 249.354 3.041 20 0 BGADHN COC1CC(N(C)Cc2cc(Cl)cs2)C1 ZINC000348676145 536716557 /nfs/dbraw/zinc/71/65/57/536716557.db2.gz RUPQWDHWBHWNMK-UHFFFAOYSA-N 0 3 245.775 3.011 20 0 BGADHN c1nc(C2CC2)c(CN2CC(C3CCC3)C2)s1 ZINC000348677812 537970014 /nfs/dbraw/zinc/97/00/14/537970014.db2.gz VUXTWDIPBMCVHV-UHFFFAOYSA-N 0 3 248.395 3.252 20 0 BGADHN Fc1cccc(CN2CC(C3CCC3)C2)c1 ZINC000348700002 136116295 /nfs/dbraw/zinc/11/62/95/136116295.db2.gz BFLPKXQFTARIFR-UHFFFAOYSA-N 0 3 219.303 3.058 20 0 BGADHN COCc1ccc(CN2CC(C3CCC3)C2)cc1 ZINC000348705747 536766689 /nfs/dbraw/zinc/76/66/89/536766689.db2.gz GLCITAVXVBCYOO-UHFFFAOYSA-N 0 3 245.366 3.065 20 0 BGADHN COc1cc(CN2CC(C3CCC3)C2)ccc1C ZINC000348706284 136116316 /nfs/dbraw/zinc/11/63/16/136116316.db2.gz HENUMGIIVYERRQ-UHFFFAOYSA-N 0 3 245.366 3.236 20 0 BGADHN COC1CC(N(C)Cc2ccc([C@H]3C[C@@H]3C)o2)C1 ZINC000348707448 536718118 /nfs/dbraw/zinc/71/81/18/536718118.db2.gz IVSFQXURRGXFFU-PSPOIRCVSA-N 0 3 249.354 3.012 20 0 BGADHN COC1CC(N(C)Cc2ccc([C@@H]3C[C@@H]3C)o2)C1 ZINC000348707449 536717105 /nfs/dbraw/zinc/71/71/05/536717105.db2.gz IVSFQXURRGXFFU-PYULLRNSSA-N 0 3 249.354 3.012 20 0 BGADHN COC1CC(N(C)Cc2ccc([C@H]3C[C@H]3C)o2)C1 ZINC000348707450 536717836 /nfs/dbraw/zinc/71/78/36/536717836.db2.gz IVSFQXURRGXFFU-UZRPSVAASA-N 0 3 249.354 3.012 20 0 BGADHN COC1CC(N(C)Cc2ccc([C@@H]3C[C@H]3C)o2)C1 ZINC000348707451 536716583 /nfs/dbraw/zinc/71/65/83/536716583.db2.gz IVSFQXURRGXFFU-XXIIAIFYSA-N 0 3 249.354 3.012 20 0 BGADHN COC1CC(N(C)Cc2ccc3occc3c2)C1 ZINC000348708898 536717786 /nfs/dbraw/zinc/71/77/86/536717786.db2.gz AHKMFLLIGFPASQ-UHFFFAOYSA-N 0 3 245.322 3.042 20 0 BGADHN Fc1ccc(CN2CC(C3CCC3)C2)cc1 ZINC000348710461 136116698 /nfs/dbraw/zinc/11/66/98/136116698.db2.gz CNGVNDSYBALLHZ-UHFFFAOYSA-N 0 3 219.303 3.058 20 0 BGADHN Cc1cc(C)c(CN(C)[C@H]2CCCOC2)cc1C ZINC000348711081 136117126 /nfs/dbraw/zinc/11/71/26/136117126.db2.gz QLZKTDMXLDFLKO-INIZCTEOSA-N 0 3 247.382 3.223 20 0 BGADHN Cc1cc(C)c(CN(C)[C@@H]2CCCOC2)cc1C ZINC000348711082 136116842 /nfs/dbraw/zinc/11/68/42/136116842.db2.gz QLZKTDMXLDFLKO-MRXNPFEDSA-N 0 3 247.382 3.223 20 0 BGADHN CCOc1ccccc1CN1CC(C2CCC2)C1 ZINC000348711084 136116693 /nfs/dbraw/zinc/11/66/93/136116693.db2.gz QNBPWMCXRNIKMH-UHFFFAOYSA-N 0 3 245.366 3.317 20 0 BGADHN CCc1ccc(CN2CC(C3CCC3)C2)o1 ZINC000348712124 136293789 /nfs/dbraw/zinc/29/37/89/136293789.db2.gz SUQSTSXBSQIICI-UHFFFAOYSA-N 0 3 219.328 3.074 20 0 BGADHN COCc1cccc(CN2CC(C3CCC3)C2)c1 ZINC000348712183 136293713 /nfs/dbraw/zinc/29/37/13/136293713.db2.gz UCVQMRSYSNBNNC-UHFFFAOYSA-N 0 3 245.366 3.065 20 0 BGADHN COc1ccc(CN2CC(C3CCC3)C2)cc1C ZINC000348712589 136294074 /nfs/dbraw/zinc/29/40/74/136294074.db2.gz UYVKGJUURFEXOB-UHFFFAOYSA-N 0 3 245.366 3.236 20 0 BGADHN COc1ccc(C)cc1CN1CC(C2CCC2)C1 ZINC000348712646 136293868 /nfs/dbraw/zinc/29/38/68/136293868.db2.gz VOBLQANRAKJKCG-UHFFFAOYSA-N 0 3 245.366 3.236 20 0 BGADHN Cc1ccsc1CN1CC(C2CCC2)C1 ZINC000348713320 136293952 /nfs/dbraw/zinc/29/39/52/136293952.db2.gz WGQFPIZSQPSSOL-UHFFFAOYSA-N 0 3 221.369 3.288 20 0 BGADHN CCOc1cccc(CN2CC(C3CCC3)C2)c1 ZINC000348713351 136293696 /nfs/dbraw/zinc/29/36/96/136293696.db2.gz KPCCUZCUZSFDMK-UHFFFAOYSA-N 0 3 245.366 3.317 20 0 BGADHN CCCc1cccc(CN(C)[C@H]2CCCOC2)c1 ZINC000348713380 535430785 /nfs/dbraw/zinc/43/07/85/535430785.db2.gz KSSFLVKFEINSIF-INIZCTEOSA-N 0 3 247.382 3.250 20 0 BGADHN CCCc1cccc(CN(C)[C@@H]2CCCOC2)c1 ZINC000348713383 535431149 /nfs/dbraw/zinc/43/11/49/535431149.db2.gz KSSFLVKFEINSIF-MRXNPFEDSA-N 0 3 247.382 3.250 20 0 BGADHN CCOc1ccc(CN2CC(C3CCC3)C2)cc1 ZINC000348713970 535717565 /nfs/dbraw/zinc/71/75/65/535717565.db2.gz MBOCJUAARGOKQR-UHFFFAOYSA-N 0 3 245.366 3.317 20 0 BGADHN COC1CC(N(C)Cc2coc3ccccc23)C1 ZINC000348715390 536720010 /nfs/dbraw/zinc/72/00/10/536720010.db2.gz PMHNXEHPWNFRKI-UHFFFAOYSA-N 0 3 245.322 3.042 20 0 BGADHN CN(Cc1ccc2occc2c1)[C@H]1CCCOC1 ZINC000348715732 536473655 /nfs/dbraw/zinc/47/36/55/536473655.db2.gz QNNZOCHESRKSDL-AWEZNQCLSA-N 0 3 245.322 3.044 20 0 BGADHN CN(Cc1ccc2occc2c1)[C@@H]1CCCOC1 ZINC000348715733 536474280 /nfs/dbraw/zinc/47/42/80/536474280.db2.gz QNNZOCHESRKSDL-CQSZACIVSA-N 0 3 245.322 3.044 20 0 BGADHN Cc1ccc(CN2CC(C3CCC3)C2)cc1 ZINC000348716699 136294567 /nfs/dbraw/zinc/29/45/67/136294567.db2.gz SVIWMRJVHMKDNS-UHFFFAOYSA-N 0 3 215.340 3.227 20 0 BGADHN CN(Cc1coc2ccccc12)[C@@H]1CCCOC1 ZINC000348717512 536485374 /nfs/dbraw/zinc/48/53/74/536485374.db2.gz UKQQXJBVLVXDMU-CYBMUJFWSA-N 0 3 245.322 3.044 20 0 BGADHN CN(Cc1coc2ccccc12)[C@H]1CCCOC1 ZINC000348717513 536485364 /nfs/dbraw/zinc/48/53/64/536485364.db2.gz UKQQXJBVLVXDMU-ZDUSSCGKSA-N 0 3 245.322 3.044 20 0 BGADHN Cc1ccc(CN2CC(C3CCC3)C2)s1 ZINC000348718244 136294240 /nfs/dbraw/zinc/29/42/40/136294240.db2.gz WVODOZYIESCZKQ-UHFFFAOYSA-N 0 3 221.369 3.288 20 0 BGADHN Cc1cccc(CN2CC(C3CCC3)C2)c1 ZINC000348742337 136295590 /nfs/dbraw/zinc/29/55/90/136295590.db2.gz USLMFPKLOIXRTK-UHFFFAOYSA-N 0 3 215.340 3.227 20 0 BGADHN C[C@H](NC1CC(C(F)(F)F)C1)c1ccccn1 ZINC000348755827 136297640 /nfs/dbraw/zinc/29/76/40/136297640.db2.gz NHQPVJGFNMIWBE-IDKOKCKLSA-N 0 3 244.260 3.073 20 0 BGADHN C[C@@H](NC1CC(C(F)(F)F)C1)c1ccccn1 ZINC000348755829 136297625 /nfs/dbraw/zinc/29/76/25/136297625.db2.gz NHQPVJGFNMIWBE-XNWIYYODSA-N 0 3 244.260 3.073 20 0 BGADHN CCC[C@H]1CCCCN1Cc1cc(OC)ccn1 ZINC000348802378 136301601 /nfs/dbraw/zinc/30/16/01/136301601.db2.gz ANJMDWZKBLRMKF-AWEZNQCLSA-N 0 3 248.370 3.245 20 0 BGADHN CCC[C@@H]1CCCCN1Cc1cc(OC)ccn1 ZINC000348802379 535409177 /nfs/dbraw/zinc/40/91/77/535409177.db2.gz ANJMDWZKBLRMKF-CQSZACIVSA-N 0 3 248.370 3.245 20 0 BGADHN CCC[C@H]1CCCCN1Cc1ccc(OC)nc1 ZINC000348806471 136301405 /nfs/dbraw/zinc/30/14/05/136301405.db2.gz HVLWTFSWMCDYRI-AWEZNQCLSA-N 0 3 248.370 3.245 20 0 BGADHN CCC[C@@H]1CCCCN1Cc1ccc(OC)nc1 ZINC000348806474 535409201 /nfs/dbraw/zinc/40/92/01/535409201.db2.gz HVLWTFSWMCDYRI-CQSZACIVSA-N 0 3 248.370 3.245 20 0 BGADHN CCC[C@H]1CCCCN1Cc1ccnc(OC)c1 ZINC000348811354 136239164 /nfs/dbraw/zinc/23/91/64/136239164.db2.gz SWYLWEXAMXTNGD-AWEZNQCLSA-N 0 3 248.370 3.245 20 0 BGADHN CCC[C@@H]1CCCCN1Cc1ccnc(OC)c1 ZINC000348811355 535410128 /nfs/dbraw/zinc/41/01/28/535410128.db2.gz SWYLWEXAMXTNGD-CQSZACIVSA-N 0 3 248.370 3.245 20 0 BGADHN CCC[C@H]1CCCCN1Cc1cccc(OC)n1 ZINC000348818842 136239450 /nfs/dbraw/zinc/23/94/50/136239450.db2.gz IHUYORXJZCOQCP-AWEZNQCLSA-N 0 3 248.370 3.245 20 0 BGADHN CCC[C@@H]1CCCCN1Cc1cccc(OC)n1 ZINC000348818843 535409819 /nfs/dbraw/zinc/40/98/19/535409819.db2.gz IHUYORXJZCOQCP-CQSZACIVSA-N 0 3 248.370 3.245 20 0 BGADHN CCCc1cccc(CN(C)C[C@@H](C)OC)c1 ZINC000348833225 535430665 /nfs/dbraw/zinc/43/06/65/535430665.db2.gz LNKPBRRZUYPYCP-CYBMUJFWSA-N 0 3 235.371 3.106 20 0 BGADHN CCCc1cccc(CN(C)C[C@H](C)OC)c1 ZINC000348833226 535430385 /nfs/dbraw/zinc/43/03/85/535430385.db2.gz LNKPBRRZUYPYCP-ZDUSSCGKSA-N 0 3 235.371 3.106 20 0 BGADHN CO[C@H](C)CN(C)Cc1c(C)oc2ccccc21 ZINC000348836506 136302309 /nfs/dbraw/zinc/30/23/09/136302309.db2.gz XALBDWLGGTXDDI-LLVKDONJSA-N 0 3 247.338 3.208 20 0 BGADHN CO[C@@H](C)CN(C)Cc1c(C)oc2ccccc21 ZINC000348836507 136302054 /nfs/dbraw/zinc/30/20/54/136302054.db2.gz XALBDWLGGTXDDI-NSHDSACASA-N 0 3 247.338 3.208 20 0 BGADHN CO[C@H](C)CN(C)Cc1ccc(Cl)c(C)c1 ZINC000348836508 136302042 /nfs/dbraw/zinc/30/20/42/136302042.db2.gz XAWHDCXTKZGCEP-LLVKDONJSA-N 0 3 241.762 3.115 20 0 BGADHN CO[C@@H](C)CN(C)Cc1ccc(Cl)c(C)c1 ZINC000348836509 136301967 /nfs/dbraw/zinc/30/19/67/136301967.db2.gz XAWHDCXTKZGCEP-NSHDSACASA-N 0 3 241.762 3.115 20 0 BGADHN CO[C@H](C)CN(C)Cc1ccc(C)c(Cl)c1 ZINC000348837032 136302315 /nfs/dbraw/zinc/30/23/15/136302315.db2.gz ZKYQPSRQNWHKPQ-LLVKDONJSA-N 0 3 241.762 3.115 20 0 BGADHN CO[C@@H](C)CN(C)Cc1ccc(C)c(Cl)c1 ZINC000348837033 136301818 /nfs/dbraw/zinc/30/18/18/136301818.db2.gz ZKYQPSRQNWHKPQ-NSHDSACASA-N 0 3 241.762 3.115 20 0 BGADHN CCC[C@@H](C)CN1CCOc2cc(O)ccc2C1 ZINC000348875640 136242714 /nfs/dbraw/zinc/24/27/14/136242714.db2.gz LBHVKNVDEIBXEX-GFCCVEGCSA-N 0 3 249.354 3.023 20 0 BGADHN CCC[C@H](C)CN1CCOc2cc(O)ccc2C1 ZINC000348875641 535611646 /nfs/dbraw/zinc/61/16/46/535611646.db2.gz LBHVKNVDEIBXEX-LBPRGKRZSA-N 0 3 249.354 3.023 20 0 BGADHN CCC(CC)CN1CCOc2cc(O)ccc2C1 ZINC000348876194 136242922 /nfs/dbraw/zinc/24/29/22/136242922.db2.gz MEMGATLJMPBENX-UHFFFAOYSA-N 0 3 249.354 3.023 20 0 BGADHN CCN(CCCC(C)C)Cc1ccncc1 ZINC000348893830 136309085 /nfs/dbraw/zinc/30/90/85/136309085.db2.gz NDSGUJOEAKRBSH-UHFFFAOYSA-N 0 3 220.360 3.340 20 0 BGADHN C[C@H](c1cnn(C)c1)N(C)CCC1CCCCC1 ZINC000348926452 177052313 /nfs/dbraw/zinc/05/23/13/177052313.db2.gz HVLGJVOMHHCTRS-CYBMUJFWSA-N 0 3 249.402 3.383 20 0 BGADHN C[C@@H](c1cnn(C)c1)N(C)CCC1CCCCC1 ZINC000348926453 176037515 /nfs/dbraw/zinc/03/75/15/176037515.db2.gz HVLGJVOMHHCTRS-ZDUSSCGKSA-N 0 3 249.402 3.383 20 0 BGADHN CCC(C)(C)CCN(C)[C@H](C)c1cnn(C)c1 ZINC000348949822 136309905 /nfs/dbraw/zinc/30/99/05/136309905.db2.gz OWPVEMABVVLRND-GFCCVEGCSA-N 0 3 237.391 3.239 20 0 BGADHN CCC(C)(C)CCN(C)[C@@H](C)c1cnn(C)c1 ZINC000348949824 136309822 /nfs/dbraw/zinc/30/98/22/136309822.db2.gz OWPVEMABVVLRND-LBPRGKRZSA-N 0 3 237.391 3.239 20 0 BGADHN CCCCOCCN(Cc1ccco1)C(C)C ZINC000348990158 136314336 /nfs/dbraw/zinc/31/43/36/136314336.db2.gz DPUSTUZURQJCGB-UHFFFAOYSA-N 0 3 239.359 3.307 20 0 BGADHN CCCc1cccc(CN(CC)CCOC)c1 ZINC000349011006 535430914 /nfs/dbraw/zinc/43/09/14/535430914.db2.gz REDUDAKGIUJTOS-UHFFFAOYSA-N 0 3 235.371 3.107 20 0 BGADHN CCN(CCOC)Cc1ccc(C)c(Cl)c1 ZINC000349044739 136320907 /nfs/dbraw/zinc/32/09/07/136320907.db2.gz XWWJOHWHBFTSTN-UHFFFAOYSA-N 0 3 241.762 3.117 20 0 BGADHN C(=C\c1ccccc1)\CN1CCCSCC1 ZINC000349073869 136322306 /nfs/dbraw/zinc/32/23/06/136322306.db2.gz LTEWOHSHSADAAZ-YWEYNIOJSA-N 0 3 233.380 3.139 20 0 BGADHN c1oc2ccccc2c1CN1CCCSCC1 ZINC000349080264 136322492 /nfs/dbraw/zinc/32/24/92/136322492.db2.gz UEOOHNDCWZPKLO-UHFFFAOYSA-N 0 3 247.363 3.372 20 0 BGADHN Cc1nn(C(C)C)cc1CNC1C(C)(C)C1(C)C ZINC000349124415 136322427 /nfs/dbraw/zinc/32/24/27/136322427.db2.gz BJNOMDDLXXASBV-UHFFFAOYSA-N 0 3 249.402 3.297 20 0 BGADHN CC(C)Cn1cc(CNC2C(C)(C)C2(C)C)cn1 ZINC000349132994 386776169 /nfs/dbraw/zinc/77/61/69/386776169.db2.gz TWAAVDCCIVNZFU-UHFFFAOYSA-N 0 3 249.402 3.063 20 0 BGADHN Cc1ccoc1CN[C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000349134378 136329574 /nfs/dbraw/zinc/32/95/74/136329574.db2.gz XMYKBPWIPPNACY-NUEKZKHPSA-N 0 3 239.318 3.016 20 0 BGADHN Cc1ccoc1CN[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000349134379 136329584 /nfs/dbraw/zinc/32/95/84/136329584.db2.gz XMYKBPWIPPNACY-VNQPRFMTSA-N 0 3 239.318 3.016 20 0 BGADHN Cc1ccnc([C@@H](C)NC2C(C)(C)C2(C)C)c1 ZINC000349149985 136326003 /nfs/dbraw/zinc/32/60/03/136326003.db2.gz MIFHWKHBSNZJDY-LLVKDONJSA-N 0 3 232.371 3.475 20 0 BGADHN Cc1ccnc([C@H](C)NC2C(C)(C)C2(C)C)c1 ZINC000349149986 136326165 /nfs/dbraw/zinc/32/61/65/136326165.db2.gz MIFHWKHBSNZJDY-NSHDSACASA-N 0 3 232.371 3.475 20 0 BGADHN CCc1ccc(CNC2C(C)(C)C2(C)C)cn1 ZINC000349179669 136330672 /nfs/dbraw/zinc/33/06/72/136330672.db2.gz CCSMHMAKMHAXGQ-UHFFFAOYSA-N 0 3 232.371 3.168 20 0 BGADHN CCC[C@@H](C)CN(Cc1ccccn1)C1CC1 ZINC000349241330 355374398 /nfs/dbraw/zinc/37/43/98/355374398.db2.gz KIYYLJYEZOOHES-CYBMUJFWSA-N 0 3 232.371 3.482 20 0 BGADHN CCC[C@H](C)CN(Cc1ccccn1)C1CC1 ZINC000349241331 355373737 /nfs/dbraw/zinc/37/37/37/355373737.db2.gz KIYYLJYEZOOHES-ZDUSSCGKSA-N 0 3 232.371 3.482 20 0 BGADHN C[C@H](CN[C@@H](C)c1ccon1)c1ccccc1 ZINC000349243561 355375275 /nfs/dbraw/zinc/37/52/75/355375275.db2.gz PWFWUTMJPINAIB-NEPJUHHUSA-N 0 3 230.311 3.129 20 0 BGADHN C[C@@H](CN[C@H](C)c1ccon1)c1ccccc1 ZINC000349243563 355375461 /nfs/dbraw/zinc/37/54/61/355375461.db2.gz PWFWUTMJPINAIB-NWDGAFQWSA-N 0 3 230.311 3.129 20 0 BGADHN C[C@@H](CN[C@@H](C)c1ccon1)c1ccccc1 ZINC000349243564 355374971 /nfs/dbraw/zinc/37/49/71/355374971.db2.gz PWFWUTMJPINAIB-RYUDHWBXSA-N 0 3 230.311 3.129 20 0 BGADHN C[C@@H](NC[C@@H](C)c1ccccc1)c1ccon1 ZINC000349243565 355375325 /nfs/dbraw/zinc/37/53/25/355375325.db2.gz PWFWUTMJPINAIB-VXGBXAGGSA-N 0 3 230.311 3.129 20 0 BGADHN CCCN(CCOCC)Cc1ccc(F)cc1 ZINC000349249129 136333179 /nfs/dbraw/zinc/33/31/79/136333179.db2.gz OIOHEECKWCZIMQ-UHFFFAOYSA-N 0 3 239.334 3.074 20 0 BGADHN CC(C)CCCN(Cc1ccccn1)C1CC1 ZINC000349252491 136332907 /nfs/dbraw/zinc/33/29/07/136332907.db2.gz UAXJEXHFAVTXHL-UHFFFAOYSA-N 0 3 232.371 3.482 20 0 BGADHN C[C@H](CCc1ccccc1)N[C@H](C)c1ccon1 ZINC000349254608 136333183 /nfs/dbraw/zinc/33/31/83/136333183.db2.gz ZKIUQTJYANTHAM-CHWSQXEVSA-N 0 3 244.338 3.347 20 0 BGADHN C[C@H](CCc1ccccc1)N[C@@H](C)c1ccon1 ZINC000349254609 136333136 /nfs/dbraw/zinc/33/31/36/136333136.db2.gz ZKIUQTJYANTHAM-OLZOCXBDSA-N 0 3 244.338 3.347 20 0 BGADHN C[C@@H](N[C@@H](C)CCc1ccccc1)c1ccon1 ZINC000349254610 136333093 /nfs/dbraw/zinc/33/30/93/136333093.db2.gz ZKIUQTJYANTHAM-QWHCGFSZSA-N 0 3 244.338 3.347 20 0 BGADHN C[C@@H](CCc1ccccc1)N[C@@H](C)c1ccon1 ZINC000349254611 136332941 /nfs/dbraw/zinc/33/29/41/136332941.db2.gz ZKIUQTJYANTHAM-STQMWFEESA-N 0 3 244.338 3.347 20 0 BGADHN CC(C)CCCN(Cc1cccnc1)C1CC1 ZINC000349277600 136334222 /nfs/dbraw/zinc/33/42/22/136334222.db2.gz MBZZTIOMPRIFFL-UHFFFAOYSA-N 0 3 232.371 3.482 20 0 BGADHN CCC[C@@H](C)CN(Cc1cccnc1)C1CC1 ZINC000349279131 136334504 /nfs/dbraw/zinc/33/45/04/136334504.db2.gz OATSXCBOYANMGN-CYBMUJFWSA-N 0 3 232.371 3.482 20 0 BGADHN CCC[C@H](C)CN(Cc1cccnc1)C1CC1 ZINC000349279132 535609092 /nfs/dbraw/zinc/60/90/92/535609092.db2.gz OATSXCBOYANMGN-ZDUSSCGKSA-N 0 3 232.371 3.482 20 0 BGADHN CC[C@@H](NCC1CCC(C)CC1)c1ccn(C)n1 ZINC000349450278 535803138 /nfs/dbraw/zinc/80/31/38/535803138.db2.gz HHDYMHNUDBRCCD-JXQTWKCFSA-N 0 3 249.402 3.287 20 0 BGADHN CC[C@H](NCC1CCC(C)CC1)c1ccn(C)n1 ZINC000349450279 136352098 /nfs/dbraw/zinc/35/20/98/136352098.db2.gz HHDYMHNUDBRCCD-RUXDESIVSA-N 0 3 249.402 3.287 20 0 BGADHN CC[C@@H](NCC1(C)CCCC1)c1ccn(C)n1 ZINC000349490576 535803051 /nfs/dbraw/zinc/80/30/51/535803051.db2.gz CAHGEDPWZBEOJJ-GFCCVEGCSA-N 0 3 235.375 3.041 20 0 BGADHN CC[C@H](NCC1(C)CCCC1)c1ccn(C)n1 ZINC000349490577 535897638 /nfs/dbraw/zinc/89/76/38/535897638.db2.gz CAHGEDPWZBEOJJ-LBPRGKRZSA-N 0 3 235.375 3.041 20 0 BGADHN CCCC1(CN[C@H](CC)c2ccn(C)n2)CCC1 ZINC000349502070 386854946 /nfs/dbraw/zinc/85/49/46/386854946.db2.gz QUZKUTSJARKMSL-CYBMUJFWSA-N 0 3 249.402 3.431 20 0 BGADHN CCCC1(CN[C@@H](CC)c2ccn(C)n2)CCC1 ZINC000349502071 386854803 /nfs/dbraw/zinc/85/48/03/386854803.db2.gz QUZKUTSJARKMSL-ZDUSSCGKSA-N 0 3 249.402 3.431 20 0 BGADHN CC[C@H](C)C[C@H](C)N[C@@H](CC)c1ccn(C)n1 ZINC000349506652 386856420 /nfs/dbraw/zinc/85/64/20/386856420.db2.gz CVRYEOFULWTCQB-AVGNSLFASA-N 0 3 237.391 3.286 20 0 BGADHN CC[C@@H](N[C@@H](C)C[C@@H](C)CC)c1ccn(C)n1 ZINC000349506654 386856858 /nfs/dbraw/zinc/85/68/58/386856858.db2.gz CVRYEOFULWTCQB-RWMBFGLXSA-N 0 3 237.391 3.286 20 0 BGADHN CC[C@H](C)C[C@@H](C)N[C@@H](CC)c1ccn(C)n1 ZINC000349506656 386855861 /nfs/dbraw/zinc/85/58/61/386855861.db2.gz CVRYEOFULWTCQB-XQQFMLRXSA-N 0 3 237.391 3.286 20 0 BGADHN CC[C@@H](N[C@H](C)C[C@@H](C)CC)c1ccn(C)n1 ZINC000349506657 386857277 /nfs/dbraw/zinc/85/72/77/386857277.db2.gz CVRYEOFULWTCQB-YNEHKIRRSA-N 0 3 237.391 3.286 20 0 BGADHN CC[C@@H](NCC1(CC(C)C)CC1)c1ccn(C)n1 ZINC000349506851 386856528 /nfs/dbraw/zinc/85/65/28/386856528.db2.gz VROXTLSHZAQGTO-CYBMUJFWSA-N 0 3 249.402 3.287 20 0 BGADHN CC[C@H](NCC1(CC(C)C)CC1)c1ccn(C)n1 ZINC000349506853 535897971 /nfs/dbraw/zinc/89/79/71/535897971.db2.gz VROXTLSHZAQGTO-ZDUSSCGKSA-N 0 3 249.402 3.287 20 0 BGADHN CCCC1(CN[C@H](CC)c2ccn(C)n2)CC1 ZINC000349525396 386853111 /nfs/dbraw/zinc/85/31/11/386853111.db2.gz YXISANNEWCKMNU-GFCCVEGCSA-N 0 3 235.375 3.041 20 0 BGADHN CCCC1(CN[C@@H](CC)c2ccn(C)n2)CC1 ZINC000349525398 133888048 /nfs/dbraw/zinc/88/80/48/133888048.db2.gz YXISANNEWCKMNU-LBPRGKRZSA-N 0 3 235.375 3.041 20 0 BGADHN CC[C@H](NC1CCC(C)CC1)c1ccn(C)n1 ZINC000349539859 355390083 /nfs/dbraw/zinc/39/00/83/355390083.db2.gz VSMLDEFEHVPSTA-BPCQOVAHSA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@@H](NC1CCC(C)CC1)c1ccn(C)n1 ZINC000349539863 355389946 /nfs/dbraw/zinc/38/99/46/355389946.db2.gz VSMLDEFEHVPSTA-WXRRBKDZSA-N 0 3 235.375 3.040 20 0 BGADHN Cc1ccsc1CN(C)Cc1ccn(C)c1 ZINC000349578049 398297707 /nfs/dbraw/zinc/29/77/07/398297707.db2.gz NDEOFVDKXOFAHH-UHFFFAOYSA-N 0 3 234.368 3.027 20 0 BGADHN Cc1ccc2[nH]c(CN3CCCC3)cc2c1C ZINC000349600656 136352475 /nfs/dbraw/zinc/35/24/75/136352475.db2.gz QNJOUKMIBZWSPS-UHFFFAOYSA-N 0 3 228.339 3.381 20 0 BGADHN CN(Cc1ccc(Cl)s1)C1CCOCC1 ZINC000349613971 386893007 /nfs/dbraw/zinc/89/30/07/386893007.db2.gz PJDDZIFRZVGZER-UHFFFAOYSA-N 0 3 245.775 3.012 20 0 BGADHN CC[C@@H]1CCC[C@H]1[NH2+]Cc1cc([O-])cc(F)c1 ZINC000349627652 171000628 /nfs/dbraw/zinc/00/06/28/171000628.db2.gz DDKMEKBIIKUZJA-BXUZGUMPSA-N 0 3 237.318 3.200 20 0 BGADHN CC[C@H]1CCC[C@@H]1[NH2+]Cc1cc([O-])cc(F)c1 ZINC000349627653 398245786 /nfs/dbraw/zinc/24/57/86/398245786.db2.gz DDKMEKBIIKUZJA-FZMZJTMJSA-N 0 3 237.318 3.200 20 0 BGADHN CC[C@@H]1CCC[C@@H]1[NH2+]Cc1cc([O-])cc(F)c1 ZINC000349627654 366205122 /nfs/dbraw/zinc/20/51/22/366205122.db2.gz DDKMEKBIIKUZJA-RISCZKNCSA-N 0 3 237.318 3.200 20 0 BGADHN CC[C@H]1CCC[C@H]1[NH2+]Cc1cc([O-])cc(F)c1 ZINC000349627655 398245797 /nfs/dbraw/zinc/24/57/97/398245797.db2.gz DDKMEKBIIKUZJA-SMDDNHRTSA-N 0 3 237.318 3.200 20 0 BGADHN C[C@@H](CCC1CC1)[NH2+]Cc1cc([O-])cc(F)c1 ZINC000349643065 398245736 /nfs/dbraw/zinc/24/57/36/398245736.db2.gz DCWUMAVAOQHNCH-JTQLQIEISA-N 0 3 237.318 3.200 20 0 BGADHN C[C@H](CCC1CC1)[NH2+]Cc1cc([O-])cc(F)c1 ZINC000349643066 398245759 /nfs/dbraw/zinc/24/57/59/398245759.db2.gz DCWUMAVAOQHNCH-SNVBAGLBSA-N 0 3 237.318 3.200 20 0 BGADHN [O-]c1cc(F)cc(C[NH2+]CC23CCC(CC2)C3)c1 ZINC000349643081 386896875 /nfs/dbraw/zinc/89/68/75/386896875.db2.gz DGAWFMFFRQQBKA-UHFFFAOYSA-N 0 3 249.329 3.201 20 0 BGADHN CCC1CCC(N(C)Cc2cnn(CC)c2)CC1 ZINC000349676054 355408383 /nfs/dbraw/zinc/40/83/83/355408383.db2.gz CANMNTULBGSSGQ-UHFFFAOYSA-N 0 3 249.402 3.304 20 0 BGADHN CCC1CCC(N(C)Cc2cnn(C)c2C)CC1 ZINC000349678459 355409286 /nfs/dbraw/zinc/40/92/86/355409286.db2.gz JSQVSVYMAXTJAB-UHFFFAOYSA-N 0 3 249.402 3.129 20 0 BGADHN CCC1CCC(N(C)Cc2ccccn2)CC1 ZINC000349679686 355410308 /nfs/dbraw/zinc/41/03/08/355410308.db2.gz MUGMGUDXZRHLEQ-UHFFFAOYSA-N 0 3 232.371 3.482 20 0 BGADHN CCC1CCC(N(C)Cc2cnc(C)nc2)CC1 ZINC000349679753 355410051 /nfs/dbraw/zinc/41/00/51/355410051.db2.gz NPOPLZYEFCXZEC-UHFFFAOYSA-N 0 3 247.386 3.186 20 0 BGADHN CCC1CCC(N(C)Cc2cn(C)nc2C)CC1 ZINC000349680389 355409987 /nfs/dbraw/zinc/40/99/87/355409987.db2.gz QBGXWQQJULUDKR-UHFFFAOYSA-N 0 3 249.402 3.129 20 0 BGADHN CCC1CCC(N(C)Cc2ccnn2CC)CC1 ZINC000349681988 355410722 /nfs/dbraw/zinc/41/07/22/355410722.db2.gz ZVGLFFMOOLEUJY-UHFFFAOYSA-N 0 3 249.402 3.304 20 0 BGADHN CN(Cc1cc[nH]n1)C1CCC(C(C)(C)C)CC1 ZINC000349699089 355413639 /nfs/dbraw/zinc/41/36/39/355413639.db2.gz KNDUHCHOWYZEEN-UHFFFAOYSA-N 0 3 249.402 3.446 20 0 BGADHN Cc1cccc(CN(C)Cc2cccc(O)c2)c1 ZINC000349700984 355413955 /nfs/dbraw/zinc/41/39/55/355413955.db2.gz UVCXNNSXPPIHON-UHFFFAOYSA-N 0 3 241.334 3.333 20 0 BGADHN CCC1CCC(N(C)Cc2c[nH]nc2C)CC1 ZINC000349705248 355415742 /nfs/dbraw/zinc/41/57/42/355415742.db2.gz GUHQFWFXMWUCDX-UHFFFAOYSA-N 0 3 235.375 3.119 20 0 BGADHN CN(Cc1cnc[nH]1)C1CCC(C(C)(C)C)CC1 ZINC000349712631 355416514 /nfs/dbraw/zinc/41/65/14/355416514.db2.gz XZWYGMGFJPNJHC-UHFFFAOYSA-N 0 3 249.402 3.446 20 0 BGADHN CN(Cc1c[nH]cn1)C1CCC(C(C)(C)C)CC1 ZINC000349712631 355416512 /nfs/dbraw/zinc/41/65/12/355416512.db2.gz XZWYGMGFJPNJHC-UHFFFAOYSA-N 0 3 249.402 3.446 20 0 BGADHN CCCN1CC=C(c2cccc(OC)c2)CC1 ZINC000349727095 355420182 /nfs/dbraw/zinc/42/01/82/355420182.db2.gz LOIHCEBBVOHUQF-UHFFFAOYSA-N 0 3 231.339 3.194 20 0 BGADHN CN(Cc1ccc(Cl)o1)C1CCCC1 ZINC000349747147 355422433 /nfs/dbraw/zinc/42/24/33/355422433.db2.gz IDLSOMJMOGXHPL-UHFFFAOYSA-N 0 3 213.708 3.307 20 0 BGADHN COC1CCN(C/C(C)=C\c2ccccc2)CC1 ZINC000349747926 355422025 /nfs/dbraw/zinc/42/20/25/355422025.db2.gz LJSIHKHEOGNUOS-OWBHPGMISA-N 0 3 245.366 3.201 20 0 BGADHN CC[C@H](N[C@@H]1CC[C@H](C)[C@H](C)C1)c1nccn1C ZINC000349753485 355423375 /nfs/dbraw/zinc/42/33/75/355423375.db2.gz BQCNZLOCNMZFHE-DGAVXFQQSA-N 0 3 249.402 3.286 20 0 BGADHN CC[C@H](N[C@@H]1CC[C@H](C)[C@@H](C)C1)c1nccn1C ZINC000349753487 355423226 /nfs/dbraw/zinc/42/32/26/355423226.db2.gz BQCNZLOCNMZFHE-FQUUOJAGSA-N 0 3 249.402 3.286 20 0 BGADHN CC[C@H](N[C@@H]1CC[C@@H](C)[C@@H](C)C1)c1nccn1C ZINC000349753488 355423420 /nfs/dbraw/zinc/42/34/20/355423420.db2.gz BQCNZLOCNMZFHE-RQJABVFESA-N 0 3 249.402 3.286 20 0 BGADHN CC[C@H](N[C@@H]1CC[C@@H](C)[C@H](C)C1)c1nccn1C ZINC000349753490 355423437 /nfs/dbraw/zinc/42/34/37/355423437.db2.gz BQCNZLOCNMZFHE-SYQHCUMBSA-N 0 3 249.402 3.286 20 0 BGADHN CC[C@H](N[C@@H]1CC[C@H](C)[C@H](C)C1)c1ccn(C)n1 ZINC000349753573 355423466 /nfs/dbraw/zinc/42/34/66/355423466.db2.gz CEDILRWOVJPKOS-DGAVXFQQSA-N 0 3 249.402 3.286 20 0 BGADHN CC[C@H](N[C@@H]1CC[C@H](C)[C@@H](C)C1)c1ccn(C)n1 ZINC000349753579 355423526 /nfs/dbraw/zinc/42/35/26/355423526.db2.gz CEDILRWOVJPKOS-FQUUOJAGSA-N 0 3 249.402 3.286 20 0 BGADHN CC[C@H](N[C@@H]1CC[C@@H](C)[C@@H](C)C1)c1ccn(C)n1 ZINC000349753583 355423283 /nfs/dbraw/zinc/42/32/83/355423283.db2.gz CEDILRWOVJPKOS-RQJABVFESA-N 0 3 249.402 3.286 20 0 BGADHN CC[C@H](N[C@@H]1CC[C@@H](C)[C@H](C)C1)c1ccn(C)n1 ZINC000349753587 355423572 /nfs/dbraw/zinc/42/35/72/355423572.db2.gz CEDILRWOVJPKOS-SYQHCUMBSA-N 0 3 249.402 3.286 20 0 BGADHN Cc1ccc([C@H](N[C@H]2CCOC2)C2CCCC2)o1 ZINC000349761763 355432171 /nfs/dbraw/zinc/43/21/71/355432171.db2.gz ZVHSSTPJOYZJSN-DZGCQCFKSA-N 0 3 249.354 3.198 20 0 BGADHN Cc1ccc([C@@H](N[C@@H]2CCOC2)C2CCCC2)o1 ZINC000349761764 355432330 /nfs/dbraw/zinc/43/23/30/355432330.db2.gz ZVHSSTPJOYZJSN-HIFRSBDPSA-N 0 3 249.354 3.198 20 0 BGADHN Cc1ccc([C@H](N[C@@H]2CCOC2)C2CCCC2)o1 ZINC000349761765 355432323 /nfs/dbraw/zinc/43/23/23/355432323.db2.gz ZVHSSTPJOYZJSN-UKRRQHHQSA-N 0 3 249.354 3.198 20 0 BGADHN Cc1ccc([C@@H](N[C@H]2CCOC2)C2CCCC2)o1 ZINC000349761766 355431938 /nfs/dbraw/zinc/43/19/38/355431938.db2.gz ZVHSSTPJOYZJSN-ZFWWWQNUSA-N 0 3 249.354 3.198 20 0 BGADHN Cc1cccc2ncc(CN(C)C3CCCC3)n21 ZINC000349767795 355443784 /nfs/dbraw/zinc/44/37/84/355443784.db2.gz KXVDYENLFWKUTB-UHFFFAOYSA-N 0 3 243.354 3.017 20 0 BGADHN CC[C@@H](NCC12CCC(CC1)C2)c1ccn(C)n1 ZINC000349778234 355459763 /nfs/dbraw/zinc/45/97/63/355459763.db2.gz RSFTVBWKFARNCN-JVWICGRDSA-N 0 3 247.386 3.041 20 0 BGADHN CC[C@H](NCC12CCC(CC1)C2)c1ccn(C)n1 ZINC000349778236 355459499 /nfs/dbraw/zinc/45/94/99/355459499.db2.gz RSFTVBWKFARNCN-OWYJLGKBSA-N 0 3 247.386 3.041 20 0 BGADHN CC[C@H](N[C@@H]1CCC(C)(C)C1)c1ccn(C)n1 ZINC000349780307 355460655 /nfs/dbraw/zinc/46/06/55/355460655.db2.gz WGYKUWNUJCRZNK-NEPJUHHUSA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@@H](N[C@H]1CCC(C)(C)C1)c1ccn(C)n1 ZINC000349780308 355460497 /nfs/dbraw/zinc/46/04/97/355460497.db2.gz WGYKUWNUJCRZNK-NWDGAFQWSA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@H](N[C@H]1CCC(C)(C)C1)c1ccn(C)n1 ZINC000349780310 355460612 /nfs/dbraw/zinc/46/06/12/355460612.db2.gz WGYKUWNUJCRZNK-RYUDHWBXSA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@@H](N[C@@H]1CCC(C)(C)C1)c1ccn(C)n1 ZINC000349780311 355460476 /nfs/dbraw/zinc/46/04/76/355460476.db2.gz WGYKUWNUJCRZNK-VXGBXAGGSA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@@H](NCC1(C2CC2)CCC1)c1ccn(C)n1 ZINC000349781974 355461449 /nfs/dbraw/zinc/46/14/49/355461449.db2.gz YSCPKBDOZZPTLQ-CYBMUJFWSA-N 0 3 247.386 3.041 20 0 BGADHN CC[C@H](NCC1(C2CC2)CCC1)c1ccn(C)n1 ZINC000349781975 355461218 /nfs/dbraw/zinc/46/12/18/355461218.db2.gz YSCPKBDOZZPTLQ-ZDUSSCGKSA-N 0 3 247.386 3.041 20 0 BGADHN CCN(Cc1cc(C)ccc1F)C(C)C ZINC000349789171 355463260 /nfs/dbraw/zinc/46/32/60/355463260.db2.gz BAEMOGGBNVBDFC-UHFFFAOYSA-N 0 3 209.308 3.364 20 0 BGADHN CCN(Cc1cc(C)ccc1OC)C(C)C ZINC000349789478 355462808 /nfs/dbraw/zinc/46/28/08/355462808.db2.gz DBVDLGKGGJEPEZ-UHFFFAOYSA-N 0 3 221.344 3.234 20 0 BGADHN Cc1cc(C)c(CN2CCSCC2)cc1C ZINC000349789862 355462951 /nfs/dbraw/zinc/46/29/51/355462951.db2.gz GZCMOIIMTLNSSC-UHFFFAOYSA-N 0 3 235.396 3.161 20 0 BGADHN CC(C)(CF)NCc1cccc2cccnc21 ZINC000349790621 355464041 /nfs/dbraw/zinc/46/40/41/355464041.db2.gz NLTZNWSIBRBAIL-UHFFFAOYSA-N 0 3 232.302 3.073 20 0 BGADHN CC(C)Oc1ccc(CNC(C)(C)CF)cc1 ZINC000349793849 355463870 /nfs/dbraw/zinc/46/38/70/355463870.db2.gz XIALFWQLAGEZTJ-UHFFFAOYSA-N 0 3 239.334 3.312 20 0 BGADHN Cc1n[nH]c(C)c1CN(C)CC1CCCCC1 ZINC000349797725 355465034 /nfs/dbraw/zinc/46/50/34/355465034.db2.gz BGPGJTWOYGRMBV-UHFFFAOYSA-N 0 3 235.375 3.039 20 0 BGADHN CC(C)(CF)NCc1ccc(OC(F)F)cc1 ZINC000349798646 355465148 /nfs/dbraw/zinc/46/51/48/355465148.db2.gz GHDNOCPZPQUYNB-UHFFFAOYSA-N 0 3 247.260 3.126 20 0 BGADHN Cc1ccc(CN(C)CC2CCCCC2)nc1 ZINC000349803859 355465638 /nfs/dbraw/zinc/46/56/38/355465638.db2.gz ZPKUNWHPUNEFIB-UHFFFAOYSA-N 0 3 232.371 3.402 20 0 BGADHN CC(C)(CF)NCc1ccc2ncccc2c1 ZINC000349805468 355467008 /nfs/dbraw/zinc/46/70/08/355467008.db2.gz WFUUQPWFYANSDS-UHFFFAOYSA-N 0 3 232.302 3.073 20 0 BGADHN CN(CCc1ccccc1)Cc1ccsc1 ZINC000349815348 355467819 /nfs/dbraw/zinc/46/78/19/355467819.db2.gz ADRDDNWXBCJJHA-UHFFFAOYSA-N 0 3 231.364 3.423 20 0 BGADHN CN(C)CCSc1cc(Cl)ccc1F ZINC000349816255 355468642 /nfs/dbraw/zinc/46/86/42/355468642.db2.gz KOPIFWUARWBYMX-UHFFFAOYSA-N 0 3 233.739 3.133 20 0 BGADHN COc1ccccc1/C=C/CNC(C)(C)CF ZINC000349819513 355469418 /nfs/dbraw/zinc/46/94/18/355469418.db2.gz BFSFXZBIOJPFSL-SOFGYWHQSA-N 0 3 237.318 3.046 20 0 BGADHN COc1ccccc1/C=C\CNC(C)(C)CF ZINC000349819514 355469373 /nfs/dbraw/zinc/46/93/73/355469373.db2.gz BFSFXZBIOJPFSL-VURMDHGXSA-N 0 3 237.318 3.046 20 0 BGADHN Cc1cc(CNC(C)(C)CF)cc2cccnc12 ZINC000349821084 355470051 /nfs/dbraw/zinc/47/00/51/355470051.db2.gz IMMDSFDCJMXJDO-UHFFFAOYSA-N 0 3 246.329 3.381 20 0 BGADHN Fc1ccc(/C=C\CN2CCCC2)c(F)c1 ZINC000349828499 355486650 /nfs/dbraw/zinc/48/66/50/355486650.db2.gz AQGNBMYMOCARFS-ARJAWSKDSA-N 0 3 223.266 3.074 20 0 BGADHN Fc1ccc(/C=C/CN2CCCC2)c(F)c1 ZINC000349828500 355486893 /nfs/dbraw/zinc/48/68/93/355486893.db2.gz AQGNBMYMOCARFS-ONEGZZNKSA-N 0 3 223.266 3.074 20 0 BGADHN Cc1cc(C)c(CN(C)C[C@@H]2CCCO2)cc1C ZINC000349830206 355487838 /nfs/dbraw/zinc/48/78/38/355487838.db2.gz FRKOGRRIFMUKCP-INIZCTEOSA-N 0 3 247.382 3.223 20 0 BGADHN Cc1cc(C)c(CN(C)C[C@H]2CCCO2)cc1C ZINC000349830208 355488187 /nfs/dbraw/zinc/48/81/87/355488187.db2.gz FRKOGRRIFMUKCP-MRXNPFEDSA-N 0 3 247.382 3.223 20 0 BGADHN CCCN(C)Cc1cnc(-c2ccncc2)s1 ZINC000349830493 355488047 /nfs/dbraw/zinc/48/80/47/355488047.db2.gz HGBMLTXJZUJHRR-UHFFFAOYSA-N 0 3 247.367 3.047 20 0 BGADHN C[C@@H](N[C@H](C)C1C(C)(C)C1(C)C)c1ccon1 ZINC000349831996 355489128 /nfs/dbraw/zinc/48/91/28/355489128.db2.gz LMUKEJOMTYJQTF-NXEZZACHSA-N 0 3 236.359 3.396 20 0 BGADHN C[C@H](N[C@@H](C)C1C(C)(C)C1(C)C)c1ccon1 ZINC000349831998 355489280 /nfs/dbraw/zinc/48/92/80/355489280.db2.gz LMUKEJOMTYJQTF-UWVGGRQHSA-N 0 3 236.359 3.396 20 0 BGADHN C[C@@H](N[C@@H](C)c1ccon1)C1C(C)(C)C1(C)C ZINC000349831999 355488849 /nfs/dbraw/zinc/48/88/49/355488849.db2.gz LMUKEJOMTYJQTF-VHSXEESVSA-N 0 3 236.359 3.396 20 0 BGADHN C[C@@H](N[C@@H](C)C1C(C)(C)C1(C)C)c1ccon1 ZINC000349832001 355488729 /nfs/dbraw/zinc/48/87/29/355488729.db2.gz LMUKEJOMTYJQTF-ZJUUUORDSA-N 0 3 236.359 3.396 20 0 BGADHN CCCc1ccc(CN(C)C[C@@H]2CCCO2)cc1 ZINC000349833232 355489266 /nfs/dbraw/zinc/48/92/66/355489266.db2.gz RPQZPMPVBZTCTJ-INIZCTEOSA-N 0 3 247.382 3.250 20 0 BGADHN CCCc1ccc(CN(C)C[C@H]2CCCO2)cc1 ZINC000349833233 355489053 /nfs/dbraw/zinc/48/90/53/355489053.db2.gz RPQZPMPVBZTCTJ-MRXNPFEDSA-N 0 3 247.382 3.250 20 0 BGADHN CC[C@H](Cc1ccccc1)N[C@@H](C)c1ccon1 ZINC000349835866 355489937 /nfs/dbraw/zinc/48/99/37/355489937.db2.gz RHJOUIIQPYKOJL-GXTWGEPZSA-N 0 3 244.338 3.347 20 0 BGADHN CC[C@@H](Cc1ccccc1)N[C@@H](C)c1ccon1 ZINC000349835867 355490208 /nfs/dbraw/zinc/49/02/08/355490208.db2.gz RHJOUIIQPYKOJL-JSGCOSHPSA-N 0 3 244.338 3.347 20 0 BGADHN CC[C@@H](Cc1ccccc1)N[C@H](C)c1ccon1 ZINC000349835868 355489868 /nfs/dbraw/zinc/48/98/68/355489868.db2.gz RHJOUIIQPYKOJL-OCCSQVGLSA-N 0 3 244.338 3.347 20 0 BGADHN CC[C@H](Cc1ccccc1)N[C@H](C)c1ccon1 ZINC000349835869 355490109 /nfs/dbraw/zinc/49/01/09/355490109.db2.gz RHJOUIIQPYKOJL-TZMCWYRMSA-N 0 3 244.338 3.347 20 0 BGADHN CCCN(C)Cc1c(C)nn(C(C)(C)C)c1C ZINC000349839775 355491776 /nfs/dbraw/zinc/49/17/76/355491776.db2.gz NGWLCMALVQEUNC-UHFFFAOYSA-N 0 3 237.391 3.097 20 0 BGADHN CC(C)CN(C)Cc1cnc(C2CCC2)s1 ZINC000349841067 355491716 /nfs/dbraw/zinc/49/17/16/355491716.db2.gz SHKOPEBLKIJNRH-UHFFFAOYSA-N 0 3 238.400 3.498 20 0 BGADHN CC(C)CN(C)Cc1cnc(C(C)C)s1 ZINC000349852114 355482420 /nfs/dbraw/zinc/48/24/20/355482420.db2.gz AMSIQZAWPURPRL-UHFFFAOYSA-N 0 3 226.389 3.354 20 0 BGADHN CC(C)CN(C)Cc1ccccc1OC(F)F ZINC000349852597 355483644 /nfs/dbraw/zinc/48/36/44/355483644.db2.gz DGMRVCRNGZKLLN-UHFFFAOYSA-N 0 3 243.297 3.376 20 0 BGADHN CCCN(C)Cc1cccn1CCC(C)C ZINC000349852657 355483564 /nfs/dbraw/zinc/48/35/64/355483564.db2.gz FPZMYZXOJZQPAY-UHFFFAOYSA-N 0 3 222.376 3.376 20 0 BGADHN CC(C)CN(C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000349853001 355484267 /nfs/dbraw/zinc/48/42/67/355484267.db2.gz GPVIULORCDEDAI-UHFFFAOYSA-N 0 3 243.354 3.165 20 0 BGADHN Cc1ccc(F)c(CN(C)CC(C)C)c1 ZINC000349854264 355496387 /nfs/dbraw/zinc/49/63/87/355496387.db2.gz NDOOKMYVSFESRU-UHFFFAOYSA-N 0 3 209.308 3.222 20 0 BGADHN CC(C)Cc1ncc(CN(C)CC(C)C)s1 ZINC000349854289 355496178 /nfs/dbraw/zinc/49/61/78/355496178.db2.gz NPFUHUFEJMVOSJ-UHFFFAOYSA-N 0 3 240.416 3.429 20 0 BGADHN CC(C)CN(C)Cc1ncccc1C(F)(F)F ZINC000349855165 355498203 /nfs/dbraw/zinc/49/82/03/355498203.db2.gz ROYHLOUVNNTORC-UHFFFAOYSA-N 0 3 246.276 3.188 20 0 BGADHN CC(C)CN(C)Cc1cc(F)cc(F)c1 ZINC000349855993 355499367 /nfs/dbraw/zinc/49/93/67/355499367.db2.gz UUQZNDMEJCUSBW-UHFFFAOYSA-N 0 3 213.271 3.053 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@@H](C2CC2)C1)c1ccon1 ZINC000349858380 355503718 /nfs/dbraw/zinc/50/37/18/355503718.db2.gz PMUCTKUEUKKJPR-CYZMBNFOSA-N 0 3 234.343 3.294 20 0 BGADHN C[C@H](N[C@H]1CCC[C@H](C2CC2)C1)c1ccon1 ZINC000349858381 355503645 /nfs/dbraw/zinc/50/36/45/355503645.db2.gz PMUCTKUEUKKJPR-DRZSPHRISA-N 0 3 234.343 3.294 20 0 BGADHN C[C@H](N[C@H]1CCC[C@@H](C2CC2)C1)c1ccon1 ZINC000349858382 355503544 /nfs/dbraw/zinc/50/35/44/355503544.db2.gz PMUCTKUEUKKJPR-UHTWSYAYSA-N 0 3 234.343 3.294 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@H](C2CC2)C1)c1ccon1 ZINC000349858383 355503584 /nfs/dbraw/zinc/50/35/84/355503584.db2.gz PMUCTKUEUKKJPR-WCFLWFBJSA-N 0 3 234.343 3.294 20 0 BGADHN CCN(CCOC)Cc1cc2ccccc2s1 ZINC000349859505 355506095 /nfs/dbraw/zinc/50/60/95/355506095.db2.gz ACWWJBUBDFXUDM-UHFFFAOYSA-N 0 3 249.379 3.370 20 0 BGADHN CCCc1ccc(CN(CC)CCOC)cc1 ZINC000349860693 355508545 /nfs/dbraw/zinc/50/85/45/355508545.db2.gz JRZYXQLCDOBUNA-UHFFFAOYSA-N 0 3 235.371 3.107 20 0 BGADHN CCN(CCOC)Cc1c(C)oc2ccccc21 ZINC000349862097 355511216 /nfs/dbraw/zinc/51/12/16/355511216.db2.gz SXLDQIYTIGTIIQ-UHFFFAOYSA-N 0 3 247.338 3.210 20 0 BGADHN CCCN(C)Cc1cccc2c1OC(C)(C)C2 ZINC000349873688 355513730 /nfs/dbraw/zinc/51/37/30/355513730.db2.gz KLAZUGSDIBAUFO-UHFFFAOYSA-N 0 3 233.355 3.242 20 0 BGADHN CC(C)CN(C)Cc1cc(F)ccc1F ZINC000349875638 355514640 /nfs/dbraw/zinc/51/46/40/355514640.db2.gz PFBFBRAYMPNLJU-UHFFFAOYSA-N 0 3 213.271 3.053 20 0 BGADHN Fc1ccc(/C=C/CNCc2ccoc2)c(F)c1 ZINC000349904758 355523285 /nfs/dbraw/zinc/52/32/85/355523285.db2.gz JWOSCGHEJQHTJL-OWOJBTEDSA-N 0 3 249.260 3.361 20 0 BGADHN Fc1ccc(/C=C\CNCc2ccoc2)c(F)c1 ZINC000349904759 355523193 /nfs/dbraw/zinc/52/31/93/355523193.db2.gz JWOSCGHEJQHTJL-UPHRSURJSA-N 0 3 249.260 3.361 20 0 BGADHN Cc1cnc(CN2CCC[C@H]2CC(C)(C)C)cn1 ZINC000349943464 355532600 /nfs/dbraw/zinc/53/26/00/355532600.db2.gz FMPUKGSWEZOFJD-AWEZNQCLSA-N 0 3 247.386 3.186 20 0 BGADHN Cc1cnc(CN2CCC[C@@H]2CC(C)(C)C)cn1 ZINC000349943465 355532737 /nfs/dbraw/zinc/53/27/37/355532737.db2.gz FMPUKGSWEZOFJD-CQSZACIVSA-N 0 3 247.386 3.186 20 0 BGADHN CN(C/C=C\c1ccc(F)cc1F)C1CC1 ZINC000349974680 355553762 /nfs/dbraw/zinc/55/37/62/355553762.db2.gz MWNOOQJNCCPJQS-IHWYPQMZSA-N 0 3 223.266 3.072 20 0 BGADHN CN(C/C=C/c1ccc(F)cc1F)C1CC1 ZINC000349974683 355553422 /nfs/dbraw/zinc/55/34/22/355553422.db2.gz MWNOOQJNCCPJQS-NSCUHMNNSA-N 0 3 223.266 3.072 20 0 BGADHN CC(C)[C@H]1CCCN1Cc1ccncc1Cl ZINC000350111480 355606460 /nfs/dbraw/zinc/60/64/60/355606460.db2.gz AZGNERANZVWGNO-CYBMUJFWSA-N 0 3 238.762 3.355 20 0 BGADHN CC(C)[C@@H]1CCCN1Cc1ccncc1Cl ZINC000350111482 355606758 /nfs/dbraw/zinc/60/67/58/355606758.db2.gz AZGNERANZVWGNO-ZDUSSCGKSA-N 0 3 238.762 3.355 20 0 BGADHN COc1ccc(F)c(CN(C)CC2CCC2)c1 ZINC000350126078 355608914 /nfs/dbraw/zinc/60/89/14/355608914.db2.gz HINSPCQNDIPWCN-UHFFFAOYSA-N 0 3 237.318 3.066 20 0 BGADHN CCCN(CC)Cc1cc(OC)ccc1F ZINC000350126575 355610134 /nfs/dbraw/zinc/61/01/34/355610134.db2.gz WGJLOFNYOKWKTR-UHFFFAOYSA-N 0 3 225.307 3.066 20 0 BGADHN CCN(Cc1conc1C)C1CCCCC1 ZINC000350141454 355613421 /nfs/dbraw/zinc/61/34/21/355613421.db2.gz CHTNAOCFBXQOEL-UHFFFAOYSA-N 0 3 222.332 3.138 20 0 BGADHN CCCCN(C)Cc1cc(OC)ccc1F ZINC000350143784 355614192 /nfs/dbraw/zinc/61/41/92/355614192.db2.gz BBHJJQKNJLRFPO-UHFFFAOYSA-N 0 3 225.307 3.066 20 0 BGADHN COc1ccc(F)c(CN2CCC[C@@H](C)C2)c1 ZINC000350145055 355613991 /nfs/dbraw/zinc/61/39/91/355613991.db2.gz GYZGDTLAEGPUAA-LLVKDONJSA-N 0 3 237.318 3.066 20 0 BGADHN COc1ccc(F)c(CN2CCC[C@H](C)C2)c1 ZINC000350145060 355614100 /nfs/dbraw/zinc/61/41/00/355614100.db2.gz GYZGDTLAEGPUAA-NSHDSACASA-N 0 3 237.318 3.066 20 0 BGADHN CCCCN(CCCC)Cc1ccnc(C)n1 ZINC000350146728 133941693 /nfs/dbraw/zinc/94/16/93/133941693.db2.gz MYDFJGQTNNBKBR-UHFFFAOYSA-N 0 3 235.375 3.187 20 0 BGADHN CCc1nocc1CN(C)C1CCCCC1 ZINC000350147760 355615396 /nfs/dbraw/zinc/61/53/96/355615396.db2.gz QJLVGVUDKYTJPD-UHFFFAOYSA-N 0 3 222.332 3.002 20 0 BGADHN COc1ccc(F)c(CN2CCCCCC2)c1 ZINC000350147825 355615555 /nfs/dbraw/zinc/61/55/55/355615555.db2.gz QRWOZORPZZXEKO-UHFFFAOYSA-N 0 3 237.318 3.210 20 0 BGADHN CCCCN(CCCC)Cc1conc1C ZINC000350150934 355616183 /nfs/dbraw/zinc/61/61/83/355616183.db2.gz WNRBOWXJHNNBQU-UHFFFAOYSA-N 0 3 224.348 3.385 20 0 BGADHN COc1ccc(F)c(CN2CCCC[C@H]2C)c1 ZINC000350178652 355620303 /nfs/dbraw/zinc/62/03/03/355620303.db2.gz ZKHNZPMTYKXMNV-LLVKDONJSA-N 0 3 237.318 3.209 20 0 BGADHN COc1ccc(F)c(CN2CCCC[C@@H]2C)c1 ZINC000350178653 355620434 /nfs/dbraw/zinc/62/04/34/355620434.db2.gz ZKHNZPMTYKXMNV-NSHDSACASA-N 0 3 237.318 3.209 20 0 BGADHN C[C@@H]1CN(Cc2ccncc2Cl)C(C)(C)C1 ZINC000350203082 355643116 /nfs/dbraw/zinc/64/31/16/355643116.db2.gz DNJWYVVRBXUEML-JTQLQIEISA-N 0 3 238.762 3.355 20 0 BGADHN C[C@H]1CN(Cc2ccncc2Cl)C(C)(C)C1 ZINC000350203084 355643321 /nfs/dbraw/zinc/64/33/21/355643321.db2.gz DNJWYVVRBXUEML-SNVBAGLBSA-N 0 3 238.762 3.355 20 0 BGADHN CCOCCCN(C)Cc1cc2ccccc2o1 ZINC000350211614 355654678 /nfs/dbraw/zinc/65/46/78/355654678.db2.gz KOGWSCVBUSXWSB-UHFFFAOYSA-N 0 3 247.338 3.291 20 0 BGADHN C/C(=C/c1ccccc1)CNCCOC(C)C ZINC000350229171 355653056 /nfs/dbraw/zinc/65/30/56/355653056.db2.gz VXVBNNYTUAOZSY-KAMYIIQDSA-N 0 3 233.355 3.105 20 0 BGADHN C[C@H]1CN(Cc2nc3ccccc3o2)C(C)(C)C1 ZINC000350258434 136357122 /nfs/dbraw/zinc/35/71/22/136357122.db2.gz UTSKBCNXBLQOGM-LLVKDONJSA-N 0 3 244.338 3.448 20 0 BGADHN C[C@@H]1CN(Cc2nc3ccccc3o2)C(C)(C)C1 ZINC000350258435 136356947 /nfs/dbraw/zinc/35/69/47/136356947.db2.gz UTSKBCNXBLQOGM-NSHDSACASA-N 0 3 244.338 3.448 20 0 BGADHN CCC[C@@H](C)N(C)Cc1cnc2cccc(C)n12 ZINC000350277962 136357490 /nfs/dbraw/zinc/35/74/90/136357490.db2.gz HVXJXOZTRFBWEB-GFCCVEGCSA-N 0 3 245.370 3.263 20 0 BGADHN CCC[C@H](C)N(C)Cc1cnc2cccc(C)n12 ZINC000350277963 535632577 /nfs/dbraw/zinc/63/25/77/535632577.db2.gz HVXJXOZTRFBWEB-LBPRGKRZSA-N 0 3 245.370 3.263 20 0 BGADHN CCC[C@@H](C)N(C)Cc1cccc(OCC)n1 ZINC000350279160 136357555 /nfs/dbraw/zinc/35/75/55/136357555.db2.gz NPSCXOUKWWSEOC-GFCCVEGCSA-N 0 3 236.359 3.101 20 0 BGADHN CCC[C@H](C)N(C)Cc1cccc(OCC)n1 ZINC000350279161 535631835 /nfs/dbraw/zinc/63/18/35/535631835.db2.gz NPSCXOUKWWSEOC-LBPRGKRZSA-N 0 3 236.359 3.101 20 0 BGADHN CCC[C@@H](C)N(C)Cc1cnn(C(C)(C)C)c1 ZINC000350298063 136358084 /nfs/dbraw/zinc/35/80/84/136358084.db2.gz BNCVRIJYUKUPLW-GFCCVEGCSA-N 0 3 237.391 3.259 20 0 BGADHN CCC[C@H](C)N(C)Cc1cnn(C(C)(C)C)c1 ZINC000350298065 535631708 /nfs/dbraw/zinc/63/17/08/535631708.db2.gz BNCVRIJYUKUPLW-LBPRGKRZSA-N 0 3 237.391 3.259 20 0 BGADHN CCC[C@@H](C)N(C)Cc1c(C)nc2ccccn21 ZINC000350299508 136357806 /nfs/dbraw/zinc/35/78/06/136357806.db2.gz HCYYCFIVBIVDCW-GFCCVEGCSA-N 0 3 245.370 3.263 20 0 BGADHN CCC[C@H](C)N(C)Cc1c(C)nc2ccccn21 ZINC000350299510 535632303 /nfs/dbraw/zinc/63/23/03/535632303.db2.gz HCYYCFIVBIVDCW-LBPRGKRZSA-N 0 3 245.370 3.263 20 0 BGADHN CCc1nocc1CN(C)C1CCC(C)CC1 ZINC000350301433 136357757 /nfs/dbraw/zinc/35/77/57/136357757.db2.gz OPYHZVSBLNJXTN-UHFFFAOYSA-N 0 3 236.359 3.248 20 0 BGADHN CCC[C@@H](C)N(C)Cc1ccc(C)cn1 ZINC000350301848 136357750 /nfs/dbraw/zinc/35/77/50/136357750.db2.gz PPUQISVHSCBHCP-GFCCVEGCSA-N 0 3 206.333 3.010 20 0 BGADHN CCC[C@H](C)N(C)Cc1ccc(C)cn1 ZINC000350301851 535631502 /nfs/dbraw/zinc/63/15/02/535631502.db2.gz PPUQISVHSCBHCP-LBPRGKRZSA-N 0 3 206.333 3.010 20 0 BGADHN CCC[C@@H](C)N(C)Cc1cccnc1C ZINC000350302694 136357837 /nfs/dbraw/zinc/35/78/37/136357837.db2.gz TVKQYGOEHAAXGS-LLVKDONJSA-N 0 3 206.333 3.010 20 0 BGADHN CCC[C@H](C)N(C)Cc1cccnc1C ZINC000350302695 535632674 /nfs/dbraw/zinc/63/26/74/535632674.db2.gz TVKQYGOEHAAXGS-NSHDSACASA-N 0 3 206.333 3.010 20 0 BGADHN CCC[C@@H](C)N(C)Cc1cnn(C(C)C)c1 ZINC000350303585 136357925 /nfs/dbraw/zinc/35/79/25/136357925.db2.gz WKFIHSMUOFKMNY-GFCCVEGCSA-N 0 3 223.364 3.084 20 0 BGADHN CCC[C@H](C)N(C)Cc1cnn(C(C)C)c1 ZINC000350303587 535632455 /nfs/dbraw/zinc/63/24/55/535632455.db2.gz WKFIHSMUOFKMNY-LBPRGKRZSA-N 0 3 223.364 3.084 20 0 BGADHN CCC[C@@H](C)N(C)Cc1c(C)nn(CC)c1C ZINC000350313636 355668364 /nfs/dbraw/zinc/66/83/64/355668364.db2.gz AQRIYHOPLHIWFZ-LLVKDONJSA-N 0 3 237.391 3.140 20 0 BGADHN CCC[C@H](C)N(C)Cc1c(C)nn(CC)c1C ZINC000350313637 355668230 /nfs/dbraw/zinc/66/82/30/355668230.db2.gz AQRIYHOPLHIWFZ-NSHDSACASA-N 0 3 237.391 3.140 20 0 BGADHN CCC[C@H](C)N(C)Cc1sccc1OC ZINC000350314072 355669273 /nfs/dbraw/zinc/66/92/73/355669273.db2.gz HLFNANOBQAXHET-JTQLQIEISA-N 0 3 227.373 3.377 20 0 BGADHN CCC[C@@H](C)N(C)Cc1sccc1OC ZINC000350314075 355669025 /nfs/dbraw/zinc/66/90/25/355669025.db2.gz HLFNANOBQAXHET-SNVBAGLBSA-N 0 3 227.373 3.377 20 0 BGADHN CCC[C@@H](C)N(C)Cc1cccc2c1OCO2 ZINC000350314369 355670165 /nfs/dbraw/zinc/67/01/65/355670165.db2.gz LSVALWGSKGFYHM-LLVKDONJSA-N 0 3 235.327 3.036 20 0 BGADHN CCC[C@H](C)N(C)Cc1cccc2c1OCO2 ZINC000350314371 355669996 /nfs/dbraw/zinc/66/99/96/355669996.db2.gz LSVALWGSKGFYHM-NSHDSACASA-N 0 3 235.327 3.036 20 0 BGADHN C[C@H]1CCCC[C@H]1CN(C)Cc1ccccn1 ZINC000350354021 136358799 /nfs/dbraw/zinc/35/87/99/136358799.db2.gz LJEZXEABBAEOIW-KBPBESRZSA-N 0 3 232.371 3.340 20 0 BGADHN C[C@@H]1CCCC[C@H]1CN(C)Cc1ccccn1 ZINC000350354023 136358917 /nfs/dbraw/zinc/35/89/17/136358917.db2.gz LJEZXEABBAEOIW-KGLIPLIRSA-N 0 3 232.371 3.340 20 0 BGADHN C[C@H]1CCCC[C@@H]1CN(C)Cc1ccccn1 ZINC000350354024 136358845 /nfs/dbraw/zinc/35/88/45/136358845.db2.gz LJEZXEABBAEOIW-UONOGXRCSA-N 0 3 232.371 3.340 20 0 BGADHN C[C@@H]1CCCC[C@@H]1CN(C)Cc1ccccn1 ZINC000350354026 136358736 /nfs/dbraw/zinc/35/87/36/136358736.db2.gz LJEZXEABBAEOIW-ZIAGYGMSSA-N 0 3 232.371 3.340 20 0 BGADHN CCc1nocc1CN(C)C1CCCCCC1 ZINC000350393166 355695463 /nfs/dbraw/zinc/69/54/63/355695463.db2.gz MEUFNPPVWAXJEQ-UHFFFAOYSA-N 0 3 236.359 3.392 20 0 BGADHN CN(Cc1ccccn1)CC1CCCCCC1 ZINC000350395803 355696245 /nfs/dbraw/zinc/69/62/45/355696245.db2.gz VTVIFFMJGZVZGU-UHFFFAOYSA-N 0 3 232.371 3.484 20 0 BGADHN COc1ccc(F)c(CN(C)C2CCCC2)c1 ZINC000350442028 536598275 /nfs/dbraw/zinc/59/82/75/536598275.db2.gz XMXXFWRAGXMTFU-UHFFFAOYSA-N 0 3 237.318 3.209 20 0 BGADHN COC[C@@H](C)N(C)Cc1ccc(C2CCC2)cc1 ZINC000350472261 355710300 /nfs/dbraw/zinc/71/03/00/355710300.db2.gz CDJPEGJRSAENKQ-CYBMUJFWSA-N 0 3 247.382 3.421 20 0 BGADHN COC[C@H](C)N(C)Cc1ccc(C2CCC2)cc1 ZINC000350472262 355710105 /nfs/dbraw/zinc/71/01/05/355710105.db2.gz CDJPEGJRSAENKQ-ZDUSSCGKSA-N 0 3 247.382 3.421 20 0 BGADHN COC[C@@H](C)N(C)Cc1cc(C)cc(Cl)c1 ZINC000350480798 136361222 /nfs/dbraw/zinc/36/12/22/136361222.db2.gz QDLAEVMGFQBCEM-LLVKDONJSA-N 0 3 241.762 3.115 20 0 BGADHN COC[C@H](C)N(C)Cc1cc(C)cc(Cl)c1 ZINC000350480800 136361115 /nfs/dbraw/zinc/36/11/15/136361115.db2.gz QDLAEVMGFQBCEM-NSHDSACASA-N 0 3 241.762 3.115 20 0 BGADHN c1cc(C2CCC2)ccc1CN1CCCOCC1 ZINC000350484023 538657169 /nfs/dbraw/zinc/65/71/69/538657169.db2.gz VNEYYKNLOAPCLZ-UHFFFAOYSA-N 0 3 245.366 3.176 20 0 BGADHN Cc1ccc(C)c(CN2CCO[C@H]3CCC[C@H]32)c1 ZINC000350618401 136362123 /nfs/dbraw/zinc/36/21/23/136362123.db2.gz DNOIVJHVOWODCL-CVEARBPZSA-N 0 3 245.366 3.057 20 0 BGADHN Cc1ccc(C)c(CN2CCO[C@@H]3CCC[C@H]32)c1 ZINC000350618402 136362083 /nfs/dbraw/zinc/36/20/83/136362083.db2.gz DNOIVJHVOWODCL-HZPDHXFCSA-N 0 3 245.366 3.057 20 0 BGADHN CC[C@@H]1CCCN1Cc1cc(OC)ccc1F ZINC000350654892 355738047 /nfs/dbraw/zinc/73/80/47/355738047.db2.gz IQNJBYHLNYEVKD-GFCCVEGCSA-N 0 3 237.318 3.209 20 0 BGADHN CC[C@H]1CCCN1Cc1cc(OC)ccc1F ZINC000350654893 355738196 /nfs/dbraw/zinc/73/81/96/355738196.db2.gz IQNJBYHLNYEVKD-LBPRGKRZSA-N 0 3 237.318 3.209 20 0 BGADHN CCOc1cccc(CN[C@@H]2CCC(C)(C)C2)n1 ZINC000350658213 355738808 /nfs/dbraw/zinc/73/88/08/355738808.db2.gz LMJHAHTVTVDPTD-GFCCVEGCSA-N 0 3 248.370 3.149 20 0 BGADHN CCOc1cccc(CN[C@H]2CCC(C)(C)C2)n1 ZINC000350658215 355739014 /nfs/dbraw/zinc/73/90/14/355739014.db2.gz LMJHAHTVTVDPTD-LBPRGKRZSA-N 0 3 248.370 3.149 20 0 BGADHN COCc1ccc(CN[C@@H]2CCC(C)(C)C2)o1 ZINC000350659306 388530803 /nfs/dbraw/zinc/53/08/03/388530803.db2.gz LWESEIGYHHYJDD-LLVKDONJSA-N 0 3 237.343 3.094 20 0 BGADHN COCc1ccc(CN[C@H]2CCC(C)(C)C2)o1 ZINC000350659309 398333606 /nfs/dbraw/zinc/33/36/06/398333606.db2.gz LWESEIGYHHYJDD-NSHDSACASA-N 0 3 237.343 3.094 20 0 BGADHN CCCN(Cc1cc(F)ccc1OC)C1CC1 ZINC000350698359 355742936 /nfs/dbraw/zinc/74/29/36/355742936.db2.gz DMPSTGOVSSTHTR-UHFFFAOYSA-N 0 3 237.318 3.209 20 0 BGADHN CC(C)CN(Cc1cnc[nH]1)Cc1ccccc1 ZINC000350698963 355743042 /nfs/dbraw/zinc/74/30/42/355743042.db2.gz IGSNSWHLCUMGRI-UHFFFAOYSA-N 0 3 243.354 3.068 20 0 BGADHN CC(C)[C@H](C)N(C)Cc1ccncc1Cl ZINC000350705080 355744286 /nfs/dbraw/zinc/74/42/86/355744286.db2.gz YDNPUORUFXKXTK-JTQLQIEISA-N 0 3 226.751 3.211 20 0 BGADHN CC(C)[C@@H](C)N(C)Cc1ccncc1Cl ZINC000350705081 355744161 /nfs/dbraw/zinc/74/41/61/355744161.db2.gz YDNPUORUFXKXTK-SNVBAGLBSA-N 0 3 226.751 3.211 20 0 BGADHN CN(Cc1ccccn1)c1ccnc2ccccc21 ZINC000350712150 355746401 /nfs/dbraw/zinc/74/64/01/355746401.db2.gz GYGXXFKKJIYUSZ-UHFFFAOYSA-N 0 3 249.317 3.266 20 0 BGADHN COCCCN(C)Cc1cc(C)cc(Cl)c1 ZINC000350742126 355753779 /nfs/dbraw/zinc/75/37/79/355753779.db2.gz CSODBZUBNDFHAW-UHFFFAOYSA-N 0 3 241.762 3.117 20 0 BGADHN CCc1nocc1CN(CC)[C@H](C)C(C)C ZINC000350749388 535905500 /nfs/dbraw/zinc/90/55/00/535905500.db2.gz TXYIXYNWTSYMJF-LLVKDONJSA-N 0 3 224.348 3.103 20 0 BGADHN CCc1nocc1CN(CC)[C@@H](C)C(C)C ZINC000350749389 535905521 /nfs/dbraw/zinc/90/55/21/535905521.db2.gz TXYIXYNWTSYMJF-NSHDSACASA-N 0 3 224.348 3.103 20 0 BGADHN C[C@@H]1CCC[C@@H](CN[C@H]2CCCc3c[nH]nc32)C1 ZINC000350869554 355844260 /nfs/dbraw/zinc/84/42/60/355844260.db2.gz LJHWPQVIPRNFQZ-BZPMIXESSA-N 0 3 247.386 3.203 20 0 BGADHN C[C@@H]1CCC[C@H](CN[C@H]2CCCc3c[nH]nc32)C1 ZINC000350869561 355844288 /nfs/dbraw/zinc/84/42/88/355844288.db2.gz LJHWPQVIPRNFQZ-DYEKYZERSA-N 0 3 247.386 3.203 20 0 BGADHN C[C@@H]1CCC[C@H](CN[C@@H]2CCCc3c[nH]nc32)C1 ZINC000350869563 355844136 /nfs/dbraw/zinc/84/41/36/355844136.db2.gz LJHWPQVIPRNFQZ-MBNYWOFBSA-N 0 3 247.386 3.203 20 0 BGADHN C[C@@H]1CCC[C@@H](CN[C@@H]2CCCc3c[nH]nc32)C1 ZINC000350869566 355843956 /nfs/dbraw/zinc/84/39/56/355843956.db2.gz LJHWPQVIPRNFQZ-YRGRVCCFSA-N 0 3 247.386 3.203 20 0 BGADHN Cc1nocc1CN1CCC(C(C)(C)C)CC1 ZINC000350899241 355870898 /nfs/dbraw/zinc/87/08/98/355870898.db2.gz UCRGVEGOHQJIDE-UHFFFAOYSA-N 0 3 236.359 3.241 20 0 BGADHN Cc1nccc(CN2CCC(C(C)(C)C)CC2)n1 ZINC000350900242 355871522 /nfs/dbraw/zinc/87/15/22/355871522.db2.gz WYUYSXBTNBVXSH-UHFFFAOYSA-N 0 3 247.386 3.043 20 0 BGADHN C[C@@H]1CCC[C@H](CNCc2ccc(F)cn2)C1 ZINC000350941364 355912425 /nfs/dbraw/zinc/91/24/25/355912425.db2.gz NJROEXZDIKZPGD-NEPJUHHUSA-N 0 3 236.334 3.137 20 0 BGADHN C[C@H]1CCC[C@@H](CNCc2ccc(F)cn2)C1 ZINC000350941365 355912082 /nfs/dbraw/zinc/91/20/82/355912082.db2.gz NJROEXZDIKZPGD-NWDGAFQWSA-N 0 3 236.334 3.137 20 0 BGADHN C[C@H]1CCC[C@H](CNCc2ccc(F)cn2)C1 ZINC000350941366 355912220 /nfs/dbraw/zinc/91/22/20/355912220.db2.gz NJROEXZDIKZPGD-RYUDHWBXSA-N 0 3 236.334 3.137 20 0 BGADHN C[C@@H]1CCC[C@@H](CNCc2ccc(F)cn2)C1 ZINC000350941367 355911978 /nfs/dbraw/zinc/91/19/78/355911978.db2.gz NJROEXZDIKZPGD-VXGBXAGGSA-N 0 3 236.334 3.137 20 0 BGADHN COc1ccc(F)c(CN2CCCC2(C)C)c1 ZINC000350970036 355934236 /nfs/dbraw/zinc/93/42/36/355934236.db2.gz GHUJVIAOOYJVEP-UHFFFAOYSA-N 0 3 237.318 3.209 20 0 BGADHN Cc1nocc1CN(C)CCC1CCCCC1 ZINC000350972840 180502949 /nfs/dbraw/zinc/50/29/49/180502949.db2.gz UTKWAEHCINTZNF-UHFFFAOYSA-N 0 3 236.359 3.385 20 0 BGADHN COc1ccsc1CN(C(C)C)C1CC1 ZINC000350974047 175376911 /nfs/dbraw/zinc/37/69/11/175376911.db2.gz XTJUANFHBUZRLI-UHFFFAOYSA-N 0 3 225.357 3.130 20 0 BGADHN Cc1nccc(CN(C)CCC2CCCCC2)n1 ZINC000350974305 386713538 /nfs/dbraw/zinc/71/35/38/386713538.db2.gz YTAWMBRKYWIGFA-UHFFFAOYSA-N 0 3 247.386 3.187 20 0 BGADHN COc1ccc(C)cc1CN(C(C)C)C1CC1 ZINC000350974316 175075331 /nfs/dbraw/zinc/07/53/31/175075331.db2.gz ZBQRNIGVABMRQZ-UHFFFAOYSA-N 0 3 233.355 3.376 20 0 BGADHN Cc1cccc2ncc(CN(C(C)C)C3CC3)n21 ZINC000350998243 136366394 /nfs/dbraw/zinc/36/63/94/136366394.db2.gz CBFRTQVTAYTDHW-UHFFFAOYSA-N 0 3 243.354 3.016 20 0 BGADHN CCc1nocc1CN1CCC(C)(CC)CC1 ZINC000350999022 535904953 /nfs/dbraw/zinc/90/49/53/535904953.db2.gz DUYZKOMKCUJABQ-UHFFFAOYSA-N 0 3 236.359 3.249 20 0 BGADHN CCc1ccc(CN(CC(C)C)C2CC2)o1 ZINC000351026764 355938670 /nfs/dbraw/zinc/93/86/70/355938670.db2.gz GWTRBEJOICGZIT-UHFFFAOYSA-N 0 3 221.344 3.462 20 0 BGADHN Cc1ccc(CN(CC(C)C)C2CC2)nc1 ZINC000351051884 355941732 /nfs/dbraw/zinc/94/17/32/355941732.db2.gz KAXTZZOXXAFETJ-UHFFFAOYSA-N 0 3 218.344 3.010 20 0 BGADHN Cc1ccoc1CN(C)[C@H](C)CC(C)C ZINC000351054794 136366846 /nfs/dbraw/zinc/36/68/46/136366846.db2.gz XCZXHCSCAUFXJN-GFCCVEGCSA-N 0 3 209.333 3.454 20 0 BGADHN Cc1ccoc1CN(C)[C@@H](C)CC(C)C ZINC000351054795 136367119 /nfs/dbraw/zinc/36/71/19/136367119.db2.gz XCZXHCSCAUFXJN-LBPRGKRZSA-N 0 3 209.333 3.454 20 0 BGADHN CCC(C)(C)CCN1CCC[C@@H]1c1ncc[nH]1 ZINC000351060941 136366905 /nfs/dbraw/zinc/36/69/05/136366905.db2.gz FXDXBYNHOATHSU-GFCCVEGCSA-N 0 3 235.375 3.373 20 0 BGADHN CCC(C)(C)CCN1CCC[C@H]1c1ncc[nH]1 ZINC000351060943 535351207 /nfs/dbraw/zinc/35/12/07/535351207.db2.gz FXDXBYNHOATHSU-LBPRGKRZSA-N 0 3 235.375 3.373 20 0 BGADHN C[C@@H]1CCC[C@H](CN2CCC[C@@H]2c2ncc[nH]2)C1 ZINC000351062763 136367013 /nfs/dbraw/zinc/36/70/13/136367013.db2.gz KEEORXKFKNVBAM-HZSPNIEDSA-N 0 3 247.386 3.373 20 0 BGADHN C[C@@H]1CCC[C@@H](CN2CCC[C@H]2c2ncc[nH]2)C1 ZINC000351062765 136367125 /nfs/dbraw/zinc/36/71/25/136367125.db2.gz KEEORXKFKNVBAM-MCIONIFRSA-N 0 3 247.386 3.373 20 0 BGADHN C[C@@H]1CCC[C@@H](CN2CCC[C@@H]2c2ncc[nH]2)C1 ZINC000351062767 136366861 /nfs/dbraw/zinc/36/68/61/136366861.db2.gz KEEORXKFKNVBAM-MGPQQGTHSA-N 0 3 247.386 3.373 20 0 BGADHN C[C@@H]1CCC[C@H](CN2CCC[C@H]2c2ncc[nH]2)C1 ZINC000351062769 136367082 /nfs/dbraw/zinc/36/70/82/136367082.db2.gz KEEORXKFKNVBAM-RDBSUJKOSA-N 0 3 247.386 3.373 20 0 BGADHN Cc1ccc(CN(C)[C@H](C)CC(C)C)o1 ZINC000351077992 355945880 /nfs/dbraw/zinc/94/58/80/355945880.db2.gz JGUUAFVLJSFQEL-LLVKDONJSA-N 0 3 209.333 3.454 20 0 BGADHN Cc1ccc(CN(C)[C@@H](C)CC(C)C)o1 ZINC000351077994 355945921 /nfs/dbraw/zinc/94/59/21/355945921.db2.gz JGUUAFVLJSFQEL-NSHDSACASA-N 0 3 209.333 3.454 20 0 BGADHN CCc1ncc(CN(C(C)C)C2CC2)s1 ZINC000351078121 355946299 /nfs/dbraw/zinc/94/62/99/355946299.db2.gz KRKPQCMTHHXOBL-UHFFFAOYSA-N 0 3 224.373 3.078 20 0 BGADHN CC(C)N(Cc1ccc(Cl)o1)C1CC1 ZINC000351080297 355945727 /nfs/dbraw/zinc/94/57/27/355945727.db2.gz VVNGCZGCCKNGLJ-UHFFFAOYSA-N 0 3 213.708 3.306 20 0 BGADHN Cc1cccc(C)c1CN1CCO[C@H](C(C)C)C1 ZINC000351093024 136367394 /nfs/dbraw/zinc/36/73/94/136367394.db2.gz AHYAOHNRWPCRQA-INIZCTEOSA-N 0 3 247.382 3.160 20 0 BGADHN Cc1cccc(C)c1CN1CCO[C@@H](C(C)C)C1 ZINC000351093025 136367315 /nfs/dbraw/zinc/36/73/15/136367315.db2.gz AHYAOHNRWPCRQA-MRXNPFEDSA-N 0 3 247.382 3.160 20 0 BGADHN CC(C)[C@H]1CN([C@@H](C)c2ccccc2)CCO1 ZINC000351094234 136367784 /nfs/dbraw/zinc/36/77/84/136367784.db2.gz CGCJIPKOGOPHMO-DZGCQCFKSA-N 0 3 233.355 3.104 20 0 BGADHN CC(C)[C@@H]1CN([C@H](C)c2ccccc2)CCO1 ZINC000351094235 136367442 /nfs/dbraw/zinc/36/74/42/136367442.db2.gz CGCJIPKOGOPHMO-HIFRSBDPSA-N 0 3 233.355 3.104 20 0 BGADHN CC(C)[C@H]1CN([C@H](C)c2ccccc2)CCO1 ZINC000351094236 136367454 /nfs/dbraw/zinc/36/74/54/136367454.db2.gz CGCJIPKOGOPHMO-UKRRQHHQSA-N 0 3 233.355 3.104 20 0 BGADHN CC(C)[C@@H]1CN([C@@H](C)c2ccccc2)CCO1 ZINC000351094237 136367356 /nfs/dbraw/zinc/36/73/56/136367356.db2.gz CGCJIPKOGOPHMO-ZFWWWQNUSA-N 0 3 233.355 3.104 20 0 BGADHN CC1(C)CN([C@@H]2C[C@@H]2c2ccccc2)CCS1 ZINC000351274136 355970652 /nfs/dbraw/zinc/97/06/52/355970652.db2.gz YIKMTRLDXKEBGK-ZIAGYGMSSA-N 0 3 247.407 3.370 20 0 BGADHN CCc1nocc1CN1CCC[C@@H]1C(C)(C)C ZINC000351309939 355977079 /nfs/dbraw/zinc/97/70/79/355977079.db2.gz YQQOWHWUCGYTFR-CYBMUJFWSA-N 0 3 236.359 3.248 20 0 BGADHN CCc1nocc1CN1CCC[C@H]1C(C)(C)C ZINC000351309943 355977017 /nfs/dbraw/zinc/97/70/17/355977017.db2.gz YQQOWHWUCGYTFR-ZDUSSCGKSA-N 0 3 236.359 3.248 20 0 BGADHN CN(Cc1ccc(C2CCC2)cc1)[C@H]1CCOC1 ZINC000351392763 136245819 /nfs/dbraw/zinc/24/58/19/136245819.db2.gz ATKZPUNHWFYPNA-INIZCTEOSA-N 0 3 245.366 3.175 20 0 BGADHN CN(Cc1ccc(C2CCC2)cc1)[C@@H]1CCOC1 ZINC000351392764 136245617 /nfs/dbraw/zinc/24/56/17/136245617.db2.gz ATKZPUNHWFYPNA-MRXNPFEDSA-N 0 3 245.366 3.175 20 0 BGADHN CCc1nocc1CN1CCC2(CCCC2)CC1 ZINC000351401115 535904227 /nfs/dbraw/zinc/90/42/27/535904227.db2.gz UXPRFSLSRWQTEX-UHFFFAOYSA-N 0 3 248.370 3.393 20 0 BGADHN CC[C@H](C)[C@@H](C)N(Cc1conc1C)C1CC1 ZINC000351451975 355993447 /nfs/dbraw/zinc/99/34/47/355993447.db2.gz LWTVILXUMDYSPW-CMPLNLGQSA-N 0 3 236.359 3.382 20 0 BGADHN CC[C@H](C)[C@H](C)N(Cc1conc1C)C1CC1 ZINC000351451976 355993550 /nfs/dbraw/zinc/99/35/50/355993550.db2.gz LWTVILXUMDYSPW-JQWIXIFHSA-N 0 3 236.359 3.382 20 0 BGADHN CC[C@@H](C)[C@H](C)N(Cc1conc1C)C1CC1 ZINC000351451978 355993635 /nfs/dbraw/zinc/99/36/35/355993635.db2.gz LWTVILXUMDYSPW-PWSUYJOCSA-N 0 3 236.359 3.382 20 0 BGADHN CC[C@@H](C)[C@@H](C)N(Cc1conc1C)C1CC1 ZINC000351451979 355993384 /nfs/dbraw/zinc/99/33/84/355993384.db2.gz LWTVILXUMDYSPW-ZYHUDNBSSA-N 0 3 236.359 3.382 20 0 BGADHN CC[C@@H](C)[C@H](C)N(Cc1ccnc(C)n1)C1CC1 ZINC000351456656 355994389 /nfs/dbraw/zinc/99/43/89/355994389.db2.gz XJEJFMRRZRABTI-NEPJUHHUSA-N 0 3 247.386 3.184 20 0 BGADHN CC[C@H](C)[C@@H](C)N(Cc1ccnc(C)n1)C1CC1 ZINC000351456657 355994470 /nfs/dbraw/zinc/99/44/70/355994470.db2.gz XJEJFMRRZRABTI-NWDGAFQWSA-N 0 3 247.386 3.184 20 0 BGADHN CC[C@H](C)[C@H](C)N(Cc1ccnc(C)n1)C1CC1 ZINC000351456658 355994482 /nfs/dbraw/zinc/99/44/82/355994482.db2.gz XJEJFMRRZRABTI-RYUDHWBXSA-N 0 3 247.386 3.184 20 0 BGADHN CC[C@@H](C)[C@@H](C)N(Cc1ccnc(C)n1)C1CC1 ZINC000351456659 355994140 /nfs/dbraw/zinc/99/41/40/355994140.db2.gz XJEJFMRRZRABTI-VXGBXAGGSA-N 0 3 247.386 3.184 20 0 BGADHN CC(C)CN(Cc1ccon1)C1CCCC1 ZINC000351472877 355997688 /nfs/dbraw/zinc/99/76/88/355997688.db2.gz BQRBQWLKRFIESX-UHFFFAOYSA-N 0 3 222.332 3.075 20 0 BGADHN CCCN(C)[C@]1(c2ccccc2)CCCCC1=O ZINC000351493845 356001652 /nfs/dbraw/zinc/00/16/52/356001652.db2.gz PPWTWAAZFSDEQT-INIZCTEOSA-N 0 3 245.366 3.367 20 0 BGADHN CCCN(C)[C@@]1(c2ccccc2)CCCCC1=O ZINC000351493846 356001562 /nfs/dbraw/zinc/00/15/62/356001562.db2.gz PPWTWAAZFSDEQT-MRXNPFEDSA-N 0 3 245.366 3.367 20 0 BGADHN c1sc(CNC2CC3(CCC3)C2)nc1C1CC1 ZINC000351504161 356004928 /nfs/dbraw/zinc/00/49/28/356004928.db2.gz UUPGKMSSLWUXFZ-UHFFFAOYSA-N 0 3 248.395 3.443 20 0 BGADHN CC[C@H](C)[C@@H]1CCCCN1Cc1ccon1 ZINC000351517219 535914523 /nfs/dbraw/zinc/91/45/23/535914523.db2.gz IZMBPRSVEGBIAG-AAEUAGOBSA-N 0 3 222.332 3.075 20 0 BGADHN CC[C@@H](C)[C@H]1CCCCN1Cc1ccon1 ZINC000351517220 136246393 /nfs/dbraw/zinc/24/63/93/136246393.db2.gz IZMBPRSVEGBIAG-DGCLKSJQSA-N 0 3 222.332 3.075 20 0 BGADHN CC[C@H](C)[C@H]1CCCCN1Cc1ccon1 ZINC000351517221 136246708 /nfs/dbraw/zinc/24/67/08/136246708.db2.gz IZMBPRSVEGBIAG-WCQYABFASA-N 0 3 222.332 3.075 20 0 BGADHN CC[C@@H](C)[C@@H]1CCCCN1Cc1ccon1 ZINC000351517222 535701904 /nfs/dbraw/zinc/70/19/04/535701904.db2.gz IZMBPRSVEGBIAG-YPMHNXCESA-N 0 3 222.332 3.075 20 0 BGADHN c1ccc([C@@H]2CCN2CCc2ccncc2)cc1 ZINC000351517314 136246380 /nfs/dbraw/zinc/24/63/80/136246380.db2.gz JUBJMNWXLUIWFK-INIZCTEOSA-N 0 3 238.334 3.071 20 0 BGADHN c1ccc([C@H]2CCN2CCc2ccncc2)cc1 ZINC000351517315 136246586 /nfs/dbraw/zinc/24/65/86/136246586.db2.gz JUBJMNWXLUIWFK-MRXNPFEDSA-N 0 3 238.334 3.071 20 0 BGADHN CCC(CC)N(Cc1nc(C)no1)CC(C)C ZINC000351522488 356007501 /nfs/dbraw/zinc/00/75/01/356007501.db2.gz YLWUETWFZIUDTG-UHFFFAOYSA-N 0 3 239.363 3.025 20 0 BGADHN Cc1cc(CN2CCC[C@@H]2CCC(C)C)on1 ZINC000351538484 356012135 /nfs/dbraw/zinc/01/21/35/356012135.db2.gz RPUMWLJPYXCEDU-CYBMUJFWSA-N 0 3 236.359 3.384 20 0 BGADHN Cc1cc(CN2CCC[C@H]2CCC(C)C)on1 ZINC000351538485 356012159 /nfs/dbraw/zinc/01/21/59/356012159.db2.gz RPUMWLJPYXCEDU-ZDUSSCGKSA-N 0 3 236.359 3.384 20 0 BGADHN Cc1cc(CN(C)C2CCC(C)(C)CC2)on1 ZINC000351539250 356011881 /nfs/dbraw/zinc/01/18/81/356011881.db2.gz TVSMQJMFDCXCQN-UHFFFAOYSA-N 0 3 236.359 3.384 20 0 BGADHN Cc1cc(CN2CCC[C@H](CC(C)C)C2)on1 ZINC000351540562 356012360 /nfs/dbraw/zinc/01/23/60/356012360.db2.gz ONKYQMRAWPQUJL-CYBMUJFWSA-N 0 3 236.359 3.241 20 0 BGADHN Cc1cc(CN2CCC[C@@H](CC(C)C)C2)on1 ZINC000351540563 356012343 /nfs/dbraw/zinc/01/23/43/356012343.db2.gz ONKYQMRAWPQUJL-ZDUSSCGKSA-N 0 3 236.359 3.241 20 0 BGADHN CCCCN(CCOC)Cc1ccsc1C ZINC000351566171 356019652 /nfs/dbraw/zinc/01/96/52/356019652.db2.gz GAFXYYFEVIQCRD-UHFFFAOYSA-N 0 3 241.400 3.305 20 0 BGADHN CCc1nocc1CN1CCC(CC)(CC)C1 ZINC000351567827 535905269 /nfs/dbraw/zinc/90/52/69/535905269.db2.gz KFORTRPMGQPEOW-UHFFFAOYSA-N 0 3 236.359 3.249 20 0 BGADHN CCc1nocc1CN1CC[C@H](CC(C)C)C1 ZINC000351569144 136246976 /nfs/dbraw/zinc/24/69/76/136246976.db2.gz RJCFBOVXENYTIX-GFCCVEGCSA-N 0 3 236.359 3.105 20 0 BGADHN CCc1nocc1CN1CC[C@@H](CC(C)C)C1 ZINC000351569146 136247057 /nfs/dbraw/zinc/24/70/57/136247057.db2.gz RJCFBOVXENYTIX-LBPRGKRZSA-N 0 3 236.359 3.105 20 0 BGADHN COc1ccc(F)c(CN2CCC(C)(C)C2)c1 ZINC000351569816 136247117 /nfs/dbraw/zinc/24/71/17/136247117.db2.gz WRPWNUYLNLFKRQ-UHFFFAOYSA-N 0 3 237.318 3.066 20 0 BGADHN C[C@H](NC[C@@H]1C[C@@H]1c1ccccc1)c1ccon1 ZINC000351576306 136369116 /nfs/dbraw/zinc/36/91/16/136369116.db2.gz WFZZUTRGTVCHRM-FPMFFAJLSA-N 0 3 242.322 3.129 20 0 BGADHN C[C@H](NC[C@H]1C[C@@H]1c1ccccc1)c1ccon1 ZINC000351576307 136369512 /nfs/dbraw/zinc/36/95/12/136369512.db2.gz WFZZUTRGTVCHRM-IACUBPJLSA-N 0 3 242.322 3.129 20 0 BGADHN C[C@H](NC[C@@H]1C[C@H]1c1ccccc1)c1ccon1 ZINC000351576308 136369324 /nfs/dbraw/zinc/36/93/24/136369324.db2.gz WFZZUTRGTVCHRM-UBHSHLNASA-N 0 3 242.322 3.129 20 0 BGADHN C[C@H](NC[C@H]1C[C@H]1c1ccccc1)c1ccon1 ZINC000351576309 136369175 /nfs/dbraw/zinc/36/91/75/136369175.db2.gz WFZZUTRGTVCHRM-YUTCNCBUSA-N 0 3 242.322 3.129 20 0 BGADHN CCN(CCC1CC1)Cc1cccnc1C ZINC000351580373 136369424 /nfs/dbraw/zinc/36/94/24/136369424.db2.gz LSIBWLJIVGTUMA-UHFFFAOYSA-N 0 3 218.344 3.012 20 0 BGADHN CCC1(CC)CCN(Cc2cc(C)no2)CC1 ZINC000351582780 136247586 /nfs/dbraw/zinc/24/75/86/136247586.db2.gz QTLFGDMBOQPUAD-UHFFFAOYSA-N 0 3 236.359 3.385 20 0 BGADHN CCN(CCC1CC1)Cc1scnc1C ZINC000351585496 356022211 /nfs/dbraw/zinc/02/22/11/356022211.db2.gz ZANXXYWLXCMORP-UHFFFAOYSA-N 0 3 224.373 3.074 20 0 BGADHN CCN(Cc1cc(OC)ccc1F)CC1CC1 ZINC000351590456 356024048 /nfs/dbraw/zinc/02/40/48/356024048.db2.gz UWNCUSSDVLHFTI-UHFFFAOYSA-N 0 3 237.318 3.066 20 0 BGADHN Cc1nccc(CN2CCC[C@H](C(C)C)CC2)n1 ZINC000351600475 136247580 /nfs/dbraw/zinc/24/75/80/136247580.db2.gz FHEVPRKZUXWRAZ-AWEZNQCLSA-N 0 3 247.386 3.043 20 0 BGADHN Cc1nccc(CN2CCC[C@@H](C(C)C)CC2)n1 ZINC000351600476 136247472 /nfs/dbraw/zinc/24/74/72/136247472.db2.gz FHEVPRKZUXWRAZ-CQSZACIVSA-N 0 3 247.386 3.043 20 0 BGADHN CCCN(Cc1nc2ccccc2[nH]1)CC(C)C ZINC000351602320 136247376 /nfs/dbraw/zinc/24/73/76/136247376.db2.gz KWELSBIJKPRMFL-UHFFFAOYSA-N 0 3 245.370 3.431 20 0 BGADHN Cc1ncccc1CN1CC[C@@H](C)C(C)(C)C1 ZINC000351602934 136247560 /nfs/dbraw/zinc/24/75/60/136247560.db2.gz JPYCPBXHSUTZBS-GFCCVEGCSA-N 0 3 232.371 3.258 20 0 BGADHN Cc1ncccc1CN1CC[C@H](C)C(C)(C)C1 ZINC000351602936 136247716 /nfs/dbraw/zinc/24/77/16/136247716.db2.gz JPYCPBXHSUTZBS-LBPRGKRZSA-N 0 3 232.371 3.258 20 0 BGADHN CCCN(Cc1cncs1)CC(C)C ZINC000351604715 136370127 /nfs/dbraw/zinc/37/01/27/136370127.db2.gz VKQMXTJWHGVVGB-UHFFFAOYSA-N 0 3 212.362 3.011 20 0 BGADHN Cc1nocc1CN1CCC[C@@H](C(C)C)CC1 ZINC000351604756 136370008 /nfs/dbraw/zinc/37/00/08/136370008.db2.gz WGGFIVDWIZMXGI-CYBMUJFWSA-N 0 3 236.359 3.241 20 0 BGADHN Cc1nocc1CN1CCC[C@H](C(C)C)CC1 ZINC000351604757 136369734 /nfs/dbraw/zinc/36/97/34/136369734.db2.gz WGGFIVDWIZMXGI-ZDUSSCGKSA-N 0 3 236.359 3.241 20 0 BGADHN COc1ccc(F)c(CN2C[C@@H]3CCC[C@H]3C2)c1 ZINC000351605341 136369771 /nfs/dbraw/zinc/36/97/71/136369771.db2.gz YJKHWOORXSVRIG-RYUDHWBXSA-N 0 3 249.329 3.066 20 0 BGADHN COc1ccc(F)c(CN2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000351605342 136369827 /nfs/dbraw/zinc/36/98/27/136369827.db2.gz YJKHWOORXSVRIG-TXEJJXNPSA-N 0 3 249.329 3.066 20 0 BGADHN COc1ccc(F)c(CN2C[C@H]3CCC[C@@H]3C2)c1 ZINC000351605343 136370227 /nfs/dbraw/zinc/37/02/27/136370227.db2.gz YJKHWOORXSVRIG-VXGBXAGGSA-N 0 3 249.329 3.066 20 0 BGADHN CCCN(Cc1nccs1)CC(C)C ZINC000351605393 136370217 /nfs/dbraw/zinc/37/02/17/136370217.db2.gz ZLYNIBSZHIARCS-UHFFFAOYSA-N 0 3 212.362 3.011 20 0 BGADHN Cc1cc(CN2CC(C)(C)CC(C)(C)C2)on1 ZINC000351605563 136369777 /nfs/dbraw/zinc/36/97/77/136369777.db2.gz ORUGWVCDEFCYOZ-UHFFFAOYSA-N 0 3 236.359 3.241 20 0 BGADHN Cc1ncsc1CN1CC[C@H](C)C(C)(C)C1 ZINC000351607286 136370068 /nfs/dbraw/zinc/37/00/68/136370068.db2.gz WDQZZLSULDQFAE-JTQLQIEISA-N 0 3 238.400 3.320 20 0 BGADHN Cc1ncsc1CN1CC[C@@H](C)C(C)(C)C1 ZINC000351607288 136369948 /nfs/dbraw/zinc/36/99/48/136369948.db2.gz WDQZZLSULDQFAE-SNVBAGLBSA-N 0 3 238.400 3.320 20 0 BGADHN CCc1nocc1CN1CCC[C@](C)(CC)C1 ZINC000351608709 136369852 /nfs/dbraw/zinc/36/98/52/136369852.db2.gz QRFMRMQNFWJRHO-AWEZNQCLSA-N 0 3 236.359 3.249 20 0 BGADHN CCc1nocc1CN1CCC[C@@](C)(CC)C1 ZINC000351608711 136370132 /nfs/dbraw/zinc/37/01/32/136370132.db2.gz QRFMRMQNFWJRHO-CQSZACIVSA-N 0 3 236.359 3.249 20 0 BGADHN COc1ccc(F)c(CN2CCC3(CCC3)C2)c1 ZINC000351609423 136370116 /nfs/dbraw/zinc/37/01/16/136370116.db2.gz UJMZBFLZZZZDFK-UHFFFAOYSA-N 0 3 249.329 3.210 20 0 BGADHN Cc1cc(CN2CCC(C)(C(C)C)CC2)on1 ZINC000351609830 136370070 /nfs/dbraw/zinc/37/00/70/136370070.db2.gz MRNQYXLSTVTXJN-UHFFFAOYSA-N 0 3 236.359 3.241 20 0 BGADHN CO[C@H]1CCN(Cc2ccc(C3CCC3)cc2)C1 ZINC000351619100 536749203 /nfs/dbraw/zinc/74/92/03/536749203.db2.gz FDZVTVQJBZVXPA-INIZCTEOSA-N 0 3 245.366 3.175 20 0 BGADHN CO[C@@H]1CCN(Cc2ccc(C3CCC3)cc2)C1 ZINC000351619101 136248310 /nfs/dbraw/zinc/24/83/10/136248310.db2.gz FDZVTVQJBZVXPA-MRXNPFEDSA-N 0 3 245.366 3.175 20 0 BGADHN CCc1nocc1CN1CCC[C@H]2CCCC[C@@H]21 ZINC000351619582 136248379 /nfs/dbraw/zinc/24/83/79/136248379.db2.gz KIFMYWVVSFPJDP-DOMZBBRYSA-N 0 3 248.370 3.392 20 0 BGADHN CCc1nocc1CN1CCC[C@H]2CCCC[C@H]21 ZINC000351619584 136248399 /nfs/dbraw/zinc/24/83/99/136248399.db2.gz KIFMYWVVSFPJDP-IUODEOHRSA-N 0 3 248.370 3.392 20 0 BGADHN CCc1nocc1CN1CCC[C@@H]2CCCC[C@H]21 ZINC000351619587 136247775 /nfs/dbraw/zinc/24/77/75/136247775.db2.gz KIFMYWVVSFPJDP-SWLSCSKDSA-N 0 3 248.370 3.392 20 0 BGADHN CCc1nocc1CN1CCC[C@@H]2CCCC[C@@H]21 ZINC000351619589 136247933 /nfs/dbraw/zinc/24/79/33/136247933.db2.gz KIFMYWVVSFPJDP-WFASDCNBSA-N 0 3 248.370 3.392 20 0 BGADHN CCC(CC)CN(CC)Cc1cnc(C)nc1 ZINC000351619808 136248329 /nfs/dbraw/zinc/24/83/29/136248329.db2.gz KXUBVCGORBUAMB-UHFFFAOYSA-N 0 3 235.375 3.043 20 0 BGADHN C[C@@H](O)CCN(C)Cc1ccc(C2CCC2)cc1 ZINC000351620560 136247767 /nfs/dbraw/zinc/24/77/67/136247767.db2.gz QOQSKEWJFOMKHH-CYBMUJFWSA-N 0 3 247.382 3.157 20 0 BGADHN C[C@H](O)CCN(C)Cc1ccc(C2CCC2)cc1 ZINC000351620561 136248435 /nfs/dbraw/zinc/24/84/35/136248435.db2.gz QOQSKEWJFOMKHH-ZDUSSCGKSA-N 0 3 247.382 3.157 20 0 BGADHN CCC(CC)CN(CC)Cc1cnc(C)cn1 ZINC000351621371 136248032 /nfs/dbraw/zinc/24/80/32/136248032.db2.gz CFBMTMUXBJWKBW-UHFFFAOYSA-N 0 3 235.375 3.043 20 0 BGADHN CCC[C@@]1(C)CCCN(Cc2ccnc(C)n2)C1 ZINC000351622012 356031923 /nfs/dbraw/zinc/03/19/23/356031923.db2.gz BDTHZMRUULDKSH-HNNXBMFYSA-N 0 3 247.386 3.187 20 0 BGADHN CCC[C@]1(C)CCCN(Cc2ccnc(C)n2)C1 ZINC000351622014 356031502 /nfs/dbraw/zinc/03/15/02/356031502.db2.gz BDTHZMRUULDKSH-OAHLLOKOSA-N 0 3 247.386 3.187 20 0 BGADHN Cc1sccc1CN(C)CCCOC(C)C ZINC000351622218 356031401 /nfs/dbraw/zinc/03/14/01/356031401.db2.gz IBMJVROPSPJQIX-UHFFFAOYSA-N 0 3 241.400 3.303 20 0 BGADHN CSCCN(C)Cc1cc(C)cc(Cl)c1 ZINC000351622238 356031389 /nfs/dbraw/zinc/03/13/89/356031389.db2.gz BYEUGGFVQVKDER-UHFFFAOYSA-N 0 3 243.803 3.443 20 0 BGADHN Cc1nocc1CN(C)C1CCC(C)(C)CC1 ZINC000351623456 356032572 /nfs/dbraw/zinc/03/25/72/356032572.db2.gz IOEVUFYZAFDXQN-UHFFFAOYSA-N 0 3 236.359 3.384 20 0 BGADHN Cc1sccc1CN1CCS[C@H](C)[C@H]1C ZINC000351623925 356032848 /nfs/dbraw/zinc/03/28/48/356032848.db2.gz KPHURJGYMWHXDR-NXEZZACHSA-N 0 3 241.425 3.382 20 0 BGADHN Cc1sccc1CN1CCS[C@@H](C)[C@@H]1C ZINC000351623929 356032612 /nfs/dbraw/zinc/03/26/12/356032612.db2.gz KPHURJGYMWHXDR-UWVGGRQHSA-N 0 3 241.425 3.382 20 0 BGADHN Cc1sccc1CN1CCS[C@H](C)[C@@H]1C ZINC000351623930 356032902 /nfs/dbraw/zinc/03/29/02/356032902.db2.gz KPHURJGYMWHXDR-VHSXEESVSA-N 0 3 241.425 3.382 20 0 BGADHN Cc1sccc1CN1CCS[C@@H](C)[C@H]1C ZINC000351623931 356032960 /nfs/dbraw/zinc/03/29/60/356032960.db2.gz KPHURJGYMWHXDR-ZJUUUORDSA-N 0 3 241.425 3.382 20 0 BGADHN Cc1nccc(CN(C)C2CCC(C)(C)CC2)n1 ZINC000351624400 356033573 /nfs/dbraw/zinc/03/35/73/356033573.db2.gz NKPDAVFAJGKNNH-UHFFFAOYSA-N 0 3 247.386 3.186 20 0 BGADHN Cc1sccc1CN1CCSC(C)(C)C1 ZINC000351624975 356033979 /nfs/dbraw/zinc/03/39/79/356033979.db2.gz QYACJBKZCYUNOJ-UHFFFAOYSA-N 0 3 241.425 3.384 20 0 BGADHN CC[C@@H]1CN(Cc2ccsc2C)CCS1 ZINC000351625275 356034141 /nfs/dbraw/zinc/03/41/41/356034141.db2.gz VQGACIAFZVXRRY-GFCCVEGCSA-N 0 3 241.425 3.384 20 0 BGADHN CC[C@H]1CN(Cc2ccsc2C)CCS1 ZINC000351625276 356034011 /nfs/dbraw/zinc/03/40/11/356034011.db2.gz VQGACIAFZVXRRY-LBPRGKRZSA-N 0 3 241.425 3.384 20 0 BGADHN CCC[C@@]1(C)CCCN(Cc2conc2C)C1 ZINC000351625326 356033678 /nfs/dbraw/zinc/03/36/78/356033678.db2.gz WKSZQCQHFOAYQN-AWEZNQCLSA-N 0 3 236.359 3.385 20 0 BGADHN CCC[C@]1(C)CCCN(Cc2conc2C)C1 ZINC000351625327 356033928 /nfs/dbraw/zinc/03/39/28/356033928.db2.gz WKSZQCQHFOAYQN-CQSZACIVSA-N 0 3 236.359 3.385 20 0 BGADHN CC[C@H]1CCCC[C@H]1N(C)Cc1cc(C)no1 ZINC000351633680 356056997 /nfs/dbraw/zinc/05/69/97/356056997.db2.gz ZUBLRIMHFAMQQO-GXTWGEPZSA-N 0 3 236.359 3.384 20 0 BGADHN CC[C@H]1CCCC[C@@H]1N(C)Cc1cc(C)no1 ZINC000351633681 356057028 /nfs/dbraw/zinc/05/70/28/356057028.db2.gz ZUBLRIMHFAMQQO-JSGCOSHPSA-N 0 3 236.359 3.384 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1N(C)Cc1cc(C)no1 ZINC000351633682 356057285 /nfs/dbraw/zinc/05/72/85/356057285.db2.gz ZUBLRIMHFAMQQO-OCCSQVGLSA-N 0 3 236.359 3.384 20 0 BGADHN CC[C@@H]1CCCC[C@H]1N(C)Cc1cc(C)no1 ZINC000351633683 356057068 /nfs/dbraw/zinc/05/70/68/356057068.db2.gz ZUBLRIMHFAMQQO-TZMCWYRMSA-N 0 3 236.359 3.384 20 0 BGADHN CCc1nocc1CN1CCC[C@@H](CC)CC1 ZINC000351639390 356040241 /nfs/dbraw/zinc/04/02/41/356040241.db2.gz CUOJQCKFZAQGDD-GFCCVEGCSA-N 0 3 236.359 3.249 20 0 BGADHN CCc1nocc1CN1CCC[C@H](CC)CC1 ZINC000351639391 356040266 /nfs/dbraw/zinc/04/02/66/356040266.db2.gz CUOJQCKFZAQGDD-LBPRGKRZSA-N 0 3 236.359 3.249 20 0 BGADHN CCc1ccc(CNc2cc(C)cc(C)n2)cn1 ZINC000351639809 356040577 /nfs/dbraw/zinc/04/05/77/356040577.db2.gz DYRUPUBWRHLVHC-UHFFFAOYSA-N 0 3 241.338 3.268 20 0 BGADHN CCN(Cc1cc(OC)ccc1F)C1CCC1 ZINC000351641525 356040925 /nfs/dbraw/zinc/04/09/25/356040925.db2.gz NILSIEMPLKSRCH-UHFFFAOYSA-N 0 3 237.318 3.209 20 0 BGADHN CO[C@H](C)CN(Cc1ccsc1C)C(C)C ZINC000351644902 356042385 /nfs/dbraw/zinc/04/23/85/356042385.db2.gz TZAPNGAOTNDPGI-LLVKDONJSA-N 0 3 241.400 3.302 20 0 BGADHN CO[C@@H](C)CN(Cc1ccsc1C)C(C)C ZINC000351644904 356041894 /nfs/dbraw/zinc/04/18/94/356041894.db2.gz TZAPNGAOTNDPGI-NSHDSACASA-N 0 3 241.400 3.302 20 0 BGADHN Cc1nccc(CN2CCCC[C@H]2CC(C)C)n1 ZINC000351658788 356047801 /nfs/dbraw/zinc/04/78/01/356047801.db2.gz KQWRTZIEMHMEJM-HNNXBMFYSA-N 0 3 247.386 3.186 20 0 BGADHN Cc1nccc(CN2CCCC[C@@H]2CC(C)C)n1 ZINC000351658789 356047485 /nfs/dbraw/zinc/04/74/85/356047485.db2.gz KQWRTZIEMHMEJM-OAHLLOKOSA-N 0 3 247.386 3.186 20 0 BGADHN Cc1nocc1CN1CCCC[C@H]1CC(C)C ZINC000351660037 356047830 /nfs/dbraw/zinc/04/78/30/356047830.db2.gz XEGNNEBPSSCAFV-AWEZNQCLSA-N 0 3 236.359 3.384 20 0 BGADHN Cc1nocc1CN1CCCC[C@@H]1CC(C)C ZINC000351660038 356047787 /nfs/dbraw/zinc/04/77/87/356047787.db2.gz XEGNNEBPSSCAFV-CQSZACIVSA-N 0 3 236.359 3.384 20 0 BGADHN CCc1nocc1CN1CCCC(C)(C)CC1 ZINC000351660310 356047378 /nfs/dbraw/zinc/04/73/78/356047378.db2.gz XWRCNUDJLLLASZ-UHFFFAOYSA-N 0 3 236.359 3.249 20 0 BGADHN Cc1sccc1CN1CCC12CCC2 ZINC000351661636 356048373 /nfs/dbraw/zinc/04/83/73/356048373.db2.gz NOWJRIQEPNRVHB-UHFFFAOYSA-N 0 3 207.342 3.185 20 0 BGADHN CCc1nocc1CN1CCC2(C1)CCCCC2 ZINC000351661938 356048496 /nfs/dbraw/zinc/04/84/96/356048496.db2.gz RNLVCBVSJMECTJ-UHFFFAOYSA-N 0 3 248.370 3.393 20 0 BGADHN CCC[C@@H]1CCCN(Cc2conc2CC)C1 ZINC000351670877 356050866 /nfs/dbraw/zinc/05/08/66/356050866.db2.gz FMKHIPBUKZSGSM-GFCCVEGCSA-N 0 3 236.359 3.249 20 0 BGADHN CCC[C@H]1CCCN(Cc2conc2CC)C1 ZINC000351670878 356051040 /nfs/dbraw/zinc/05/10/40/356051040.db2.gz FMKHIPBUKZSGSM-LBPRGKRZSA-N 0 3 236.359 3.249 20 0 BGADHN Cc1nccc(CN2CCC[C@@H](CC(C)C)C2)n1 ZINC000351671293 356050853 /nfs/dbraw/zinc/05/08/53/356050853.db2.gz HSXZCYNWMPBMOO-AWEZNQCLSA-N 0 3 247.386 3.043 20 0 BGADHN Cc1nccc(CN2CCC[C@H](CC(C)C)C2)n1 ZINC000351671294 356051253 /nfs/dbraw/zinc/05/12/53/356051253.db2.gz HSXZCYNWMPBMOO-CQSZACIVSA-N 0 3 247.386 3.043 20 0 BGADHN Cc1nocc1CN1CCC[C@H](CC(C)C)C1 ZINC000351674114 356051814 /nfs/dbraw/zinc/05/18/14/356051814.db2.gz UIMVCRNUNQYATF-CYBMUJFWSA-N 0 3 236.359 3.241 20 0 BGADHN Cc1nocc1CN1CCC[C@@H](CC(C)C)C1 ZINC000351674115 356051851 /nfs/dbraw/zinc/05/18/51/356051851.db2.gz UIMVCRNUNQYATF-ZDUSSCGKSA-N 0 3 236.359 3.241 20 0 BGADHN C[C@@H]1CCCN1Cc1cccc(OC(C)(C)C)n1 ZINC000351683637 356056290 /nfs/dbraw/zinc/05/62/90/356056290.db2.gz BESTWBPIEAQPBC-GFCCVEGCSA-N 0 3 248.370 3.243 20 0 BGADHN C[C@H]1CCCN1Cc1cccc(OC(C)(C)C)n1 ZINC000351683638 356056112 /nfs/dbraw/zinc/05/61/12/356056112.db2.gz BESTWBPIEAQPBC-LBPRGKRZSA-N 0 3 248.370 3.243 20 0 BGADHN CCCN(C)Cc1cccc(OC(C)(C)C)n1 ZINC000351684649 356057059 /nfs/dbraw/zinc/05/70/59/356057059.db2.gz IKVMXXKLZZTZAK-UHFFFAOYSA-N 0 3 236.359 3.101 20 0 BGADHN Cc1ccc(CN(C)C[C@@H]2CCCCO2)c(C)c1 ZINC000351686299 356057374 /nfs/dbraw/zinc/05/73/74/356057374.db2.gz QIMFLSWCRYSKGZ-INIZCTEOSA-N 0 3 247.382 3.304 20 0 BGADHN Cc1ccc(CN(C)C[C@H]2CCCCO2)c(C)c1 ZINC000351686300 356057008 /nfs/dbraw/zinc/05/70/08/356057008.db2.gz QIMFLSWCRYSKGZ-MRXNPFEDSA-N 0 3 247.382 3.304 20 0 BGADHN COc1ccc(F)c(CN2CC[C@@H](C3CC3)C2)c1 ZINC000351686391 356050259 /nfs/dbraw/zinc/05/02/59/356050259.db2.gz RIWZOLPUSKQDHC-GFCCVEGCSA-N 0 3 249.329 3.066 20 0 BGADHN COc1ccc(F)c(CN2CC[C@H](C3CC3)C2)c1 ZINC000351686392 356049976 /nfs/dbraw/zinc/04/99/76/356049976.db2.gz RIWZOLPUSKQDHC-LBPRGKRZSA-N 0 3 249.329 3.066 20 0 BGADHN CCC(C)(C)[C@@H]1CCCN1Cc1ccnc(C)n1 ZINC000351688074 356058459 /nfs/dbraw/zinc/05/84/59/356058459.db2.gz QGJBWBLTMHNTRF-AWEZNQCLSA-N 0 3 247.386 3.186 20 0 BGADHN CCC(C)(C)[C@H]1CCCN1Cc1ccnc(C)n1 ZINC000351688075 356057745 /nfs/dbraw/zinc/05/77/45/356057745.db2.gz QGJBWBLTMHNTRF-CQSZACIVSA-N 0 3 247.386 3.186 20 0 BGADHN C[C@@H]1CCN(Cc2cccc(OC(C)(C)C)n2)C1 ZINC000351688471 356057966 /nfs/dbraw/zinc/05/79/66/356057966.db2.gz SCDNULMHOUDQAY-GFCCVEGCSA-N 0 3 248.370 3.101 20 0 BGADHN C[C@H]1CCN(Cc2cccc(OC(C)(C)C)n2)C1 ZINC000351688472 356057673 /nfs/dbraw/zinc/05/76/73/356057673.db2.gz SCDNULMHOUDQAY-LBPRGKRZSA-N 0 3 248.370 3.101 20 0 BGADHN CN(Cc1cccc(OC(C)(C)C)n1)CC1CC1 ZINC000351689113 356057821 /nfs/dbraw/zinc/05/78/21/356057821.db2.gz XRNBQCDJNGPXCQ-UHFFFAOYSA-N 0 3 248.370 3.101 20 0 BGADHN CCN(CC)Cc1cccc(OC(C)(C)C)n1 ZINC000351689258 356059323 /nfs/dbraw/zinc/05/93/23/356059323.db2.gz YSNLCWDFGARNRP-UHFFFAOYSA-N 0 3 236.359 3.101 20 0 BGADHN CCN(Cc1cccc(OC(C)(C)C)n1)C1CC1 ZINC000351689301 356059131 /nfs/dbraw/zinc/05/91/31/356059131.db2.gz ZKRADCLWTFRDPX-UHFFFAOYSA-N 0 3 248.370 3.243 20 0 BGADHN CC(C)CCN(Cc1ccn(C)n1)C1CCCC1 ZINC000351693994 356060715 /nfs/dbraw/zinc/06/07/15/356060715.db2.gz KXVSZBYKLNKXSO-UHFFFAOYSA-N 0 3 249.402 3.211 20 0 BGADHN CC(C)CCN(Cc1cc[nH]n1)C1CCCC1 ZINC000351694535 356060278 /nfs/dbraw/zinc/06/02/78/356060278.db2.gz LXLWLHYHBIDNJZ-UHFFFAOYSA-N 0 3 235.375 3.200 20 0 BGADHN CN(Cc1cccc(OC(C)(C)C)n1)C1CCC1 ZINC000351697032 356061506 /nfs/dbraw/zinc/06/15/06/356061506.db2.gz UDUAPOVAMSDHMN-UHFFFAOYSA-N 0 3 248.370 3.243 20 0 BGADHN CC(C)CCN(Cc1c[nH]cn1)C1CCCC1 ZINC000351697424 356061876 /nfs/dbraw/zinc/06/18/76/356061876.db2.gz WNIUHVFUKLOMEF-UHFFFAOYSA-N 0 3 235.375 3.200 20 0 BGADHN Cc1nocc1CN(CC(C)C)CC(C)(C)C ZINC000351700197 356063732 /nfs/dbraw/zinc/06/37/32/356063732.db2.gz JXJRZPOABGHPAF-UHFFFAOYSA-N 0 3 238.375 3.487 20 0 BGADHN CC(C)N(CC[C@@H](C)F)Cc1cccnc1 ZINC000351717486 356069254 /nfs/dbraw/zinc/06/92/54/356069254.db2.gz FUQFWZZDGFZODI-GFCCVEGCSA-N 0 3 224.323 3.040 20 0 BGADHN CC(C)N(CC[C@H](C)F)Cc1cccnc1 ZINC000351717487 356069465 /nfs/dbraw/zinc/06/94/65/356069465.db2.gz FUQFWZZDGFZODI-LBPRGKRZSA-N 0 3 224.323 3.040 20 0 BGADHN Cc1nccc(CN2CCC[C@H]2CCC(C)C)n1 ZINC000351718904 356069615 /nfs/dbraw/zinc/06/96/15/356069615.db2.gz LGDFAJMXHYQBDN-HNNXBMFYSA-N 0 3 247.386 3.186 20 0 BGADHN Cc1nccc(CN2CCC[C@@H]2CCC(C)C)n1 ZINC000351718905 356069704 /nfs/dbraw/zinc/06/97/04/356069704.db2.gz LGDFAJMXHYQBDN-OAHLLOKOSA-N 0 3 247.386 3.186 20 0 BGADHN CCc1nocc1CN(CC)C[C@H](C)CC ZINC000351719972 356070554 /nfs/dbraw/zinc/07/05/54/356070554.db2.gz NDVVBDQBIIMBRD-LLVKDONJSA-N 0 3 224.348 3.105 20 0 BGADHN CCc1nocc1CN(CC)C[C@@H](C)CC ZINC000351719974 356070560 /nfs/dbraw/zinc/07/05/60/356070560.db2.gz NDVVBDQBIIMBRD-NSHDSACASA-N 0 3 224.348 3.105 20 0 BGADHN Cc1nocc1CN1CCC[C@H]1CCC(C)C ZINC000351722062 356071601 /nfs/dbraw/zinc/07/16/01/356071601.db2.gz UCBXYFOBKXEJGQ-AWEZNQCLSA-N 0 3 236.359 3.384 20 0 BGADHN Cc1nocc1CN1CCC[C@@H]1CCC(C)C ZINC000351722063 356071090 /nfs/dbraw/zinc/07/10/90/356071090.db2.gz UCBXYFOBKXEJGQ-CQSZACIVSA-N 0 3 236.359 3.384 20 0 BGADHN CCC(C)(C)c1ccc(CN(C)[C@H](C)CO)cc1 ZINC000351730725 535367400 /nfs/dbraw/zinc/36/74/00/535367400.db2.gz REPQWVOTKQUXRW-CYBMUJFWSA-N 0 3 249.398 3.187 20 0 BGADHN CCC(C)(C)c1ccc(CN(C)[C@@H](C)CO)cc1 ZINC000351730726 535367155 /nfs/dbraw/zinc/36/71/55/535367155.db2.gz REPQWVOTKQUXRW-ZDUSSCGKSA-N 0 3 249.398 3.187 20 0 BGADHN COc1ccc(C2(NCC[C@@H](C)F)CC2)cc1 ZINC000351751135 136251334 /nfs/dbraw/zinc/25/13/34/136251334.db2.gz GONWXJOTFQKSLO-LLVKDONJSA-N 0 3 237.318 3.022 20 0 BGADHN COc1ccc(C2(NCC[C@H](C)F)CC2)cc1 ZINC000351751136 136251263 /nfs/dbraw/zinc/25/12/63/136251263.db2.gz GONWXJOTFQKSLO-NSHDSACASA-N 0 3 237.318 3.022 20 0 BGADHN C[C@@H](F)CCN1Cc2ccccc2[C@H]1C ZINC000351751199 136251172 /nfs/dbraw/zinc/25/11/72/136251172.db2.gz HKZPRGOYUDRUBJ-GHMZBOCLSA-N 0 3 207.292 3.311 20 0 BGADHN C[C@@H](F)CCN1Cc2ccccc2[C@@H]1C ZINC000351751200 136250960 /nfs/dbraw/zinc/25/09/60/136250960.db2.gz HKZPRGOYUDRUBJ-MNOVXSKESA-N 0 3 207.292 3.311 20 0 BGADHN C[C@H](F)CCN1Cc2ccccc2[C@@H]1C ZINC000351751201 136251348 /nfs/dbraw/zinc/25/13/48/136251348.db2.gz HKZPRGOYUDRUBJ-QWRGUYRKSA-N 0 3 207.292 3.311 20 0 BGADHN C[C@H](F)CCN1Cc2ccccc2[C@H]1C ZINC000351751202 136251407 /nfs/dbraw/zinc/25/14/07/136251407.db2.gz HKZPRGOYUDRUBJ-WDEREUQCSA-N 0 3 207.292 3.311 20 0 BGADHN CC[C@@H](c1ccncc1)N(C)CC[C@H](C)F ZINC000351751793 136251106 /nfs/dbraw/zinc/25/11/06/136251106.db2.gz LGOARRPLTYSGIU-AAEUAGOBSA-N 0 3 224.323 3.213 20 0 BGADHN CC[C@H](c1ccncc1)N(C)CC[C@@H](C)F ZINC000351751794 136251430 /nfs/dbraw/zinc/25/14/30/136251430.db2.gz LGOARRPLTYSGIU-DGCLKSJQSA-N 0 3 224.323 3.213 20 0 BGADHN CC[C@H](c1ccncc1)N(C)CC[C@H](C)F ZINC000351751795 136251290 /nfs/dbraw/zinc/25/12/90/136251290.db2.gz LGOARRPLTYSGIU-WCQYABFASA-N 0 3 224.323 3.213 20 0 BGADHN CC[C@@H](c1ccncc1)N(C)CC[C@@H](C)F ZINC000351751796 136250865 /nfs/dbraw/zinc/25/08/65/136250865.db2.gz LGOARRPLTYSGIU-YPMHNXCESA-N 0 3 224.323 3.213 20 0 BGADHN CCC(C)(C)[C@@H]1CCCN1Cc1cnc(C)nc1 ZINC000351751887 136250902 /nfs/dbraw/zinc/25/09/02/136250902.db2.gz DTDOZJHGOXMBJK-AWEZNQCLSA-N 0 3 247.386 3.186 20 0 BGADHN CCC(C)(C)[C@H]1CCCN1Cc1cnc(C)nc1 ZINC000351751888 136250927 /nfs/dbraw/zinc/25/09/27/136250927.db2.gz DTDOZJHGOXMBJK-CQSZACIVSA-N 0 3 247.386 3.186 20 0 BGADHN CCOC1CC(CN2Cc3ccccc3[C@H]2C)C1 ZINC000351752369 535756240 /nfs/dbraw/zinc/75/62/40/535756240.db2.gz QSFPPCWLWCIMTJ-DNOWBOINSA-N 0 3 245.366 3.378 20 0 BGADHN CCOC1CC(CN2Cc3ccccc3[C@@H]2C)C1 ZINC000351752370 535756153 /nfs/dbraw/zinc/75/61/53/535756153.db2.gz QSFPPCWLWCIMTJ-OPFPJEHXSA-N 0 3 245.366 3.378 20 0 BGADHN C[C@@H](F)CCN1Cc2ccccc2OC[C@@H]1C ZINC000351752592 136251015 /nfs/dbraw/zinc/25/10/15/136251015.db2.gz RTTSXUAKGJLXKA-NEPJUHHUSA-N 0 3 237.318 3.018 20 0 BGADHN C[C@H](F)CCN1Cc2ccccc2OC[C@H]1C ZINC000351752594 136250882 /nfs/dbraw/zinc/25/08/82/136250882.db2.gz RTTSXUAKGJLXKA-NWDGAFQWSA-N 0 3 237.318 3.018 20 0 BGADHN C[C@H](F)CCN1Cc2ccccc2OC[C@@H]1C ZINC000351752595 136251298 /nfs/dbraw/zinc/25/12/98/136251298.db2.gz RTTSXUAKGJLXKA-RYUDHWBXSA-N 0 3 237.318 3.018 20 0 BGADHN C[C@@H](F)CCN1Cc2ccccc2OC[C@H]1C ZINC000351752596 136251238 /nfs/dbraw/zinc/25/12/38/136251238.db2.gz RTTSXUAKGJLXKA-VXGBXAGGSA-N 0 3 237.318 3.018 20 0 BGADHN C[C@@H]1c2ccccc2CN1CCCCF ZINC000351753539 136250857 /nfs/dbraw/zinc/25/08/57/136250857.db2.gz WPBJQGIKYDGRSK-LLVKDONJSA-N 0 3 207.292 3.313 20 0 BGADHN C[C@H]1c2ccccc2CN1CCCCF ZINC000351753540 136251025 /nfs/dbraw/zinc/25/10/25/136251025.db2.gz WPBJQGIKYDGRSK-NSHDSACASA-N 0 3 207.292 3.313 20 0 BGADHN COc1ccc(F)c(CN2CC[C@@H](C)[C@H]2C)c1 ZINC000351756298 136252009 /nfs/dbraw/zinc/25/20/09/136252009.db2.gz KVYMPALYTVJMMU-GHMZBOCLSA-N 0 3 237.318 3.065 20 0 BGADHN COc1ccc(F)c(CN2CC[C@@H](C)[C@@H]2C)c1 ZINC000351756300 136251538 /nfs/dbraw/zinc/25/15/38/136251538.db2.gz KVYMPALYTVJMMU-MNOVXSKESA-N 0 3 237.318 3.065 20 0 BGADHN COc1ccc(F)c(CN2CC[C@H](C)[C@@H]2C)c1 ZINC000351756301 136251533 /nfs/dbraw/zinc/25/15/33/136251533.db2.gz KVYMPALYTVJMMU-QWRGUYRKSA-N 0 3 237.318 3.065 20 0 BGADHN COc1ccc(F)c(CN2CC[C@H](C)[C@H]2C)c1 ZINC000351756302 136251528 /nfs/dbraw/zinc/25/15/28/136251528.db2.gz KVYMPALYTVJMMU-WDEREUQCSA-N 0 3 237.318 3.065 20 0 BGADHN COc1ccc(F)cc1[C@H](C)NCCCCF ZINC000351756323 536639530 /nfs/dbraw/zinc/63/95/30/536639530.db2.gz LADSKHLCPCPDOW-JTQLQIEISA-N 0 3 243.297 3.235 20 0 BGADHN CN(CCCCF)Cc1cc(F)c(F)c(F)c1 ZINC000351756326 536334825 /nfs/dbraw/zinc/33/48/25/536334825.db2.gz HPSDXZHMCQUQPW-UHFFFAOYSA-N 0 3 249.251 3.285 20 0 BGADHN COc1ccc(F)cc1[C@@H](C)NCCCCF ZINC000351756646 536634263 /nfs/dbraw/zinc/63/42/63/536634263.db2.gz LADSKHLCPCPDOW-SNVBAGLBSA-N 0 3 243.297 3.235 20 0 BGADHN Cc1ncc(CN2CCCC[C@H]2CC(C)C)cn1 ZINC000351759774 136252320 /nfs/dbraw/zinc/25/23/20/136252320.db2.gz SWHDYIXZNILMRF-HNNXBMFYSA-N 0 3 247.386 3.186 20 0 BGADHN Cc1ncc(CN2CCCC[C@@H]2CC(C)C)cn1 ZINC000351759775 136252400 /nfs/dbraw/zinc/25/24/00/136252400.db2.gz SWHDYIXZNILMRF-OAHLLOKOSA-N 0 3 247.386 3.186 20 0 BGADHN COc1cccc(C2(NCC[C@@H](C)F)CC2)c1 ZINC000351760564 136252185 /nfs/dbraw/zinc/25/21/85/136252185.db2.gz VAFCQGBUNOVBCK-LLVKDONJSA-N 0 3 237.318 3.022 20 0 BGADHN COc1cccc(C2(NCC[C@H](C)F)CC2)c1 ZINC000351760566 136252616 /nfs/dbraw/zinc/25/26/16/136252616.db2.gz VAFCQGBUNOVBCK-NSHDSACASA-N 0 3 237.318 3.022 20 0 BGADHN CCc1nocc1CN1CC[C@@H](C)C[C@H](C)C1 ZINC000351761048 136252191 /nfs/dbraw/zinc/25/21/91/136252191.db2.gz WDBGVWKRMWGGJS-NEPJUHHUSA-N 0 3 236.359 3.105 20 0 BGADHN CCc1nocc1CN1CC[C@H](C)C[C@@H](C)C1 ZINC000351761050 136252344 /nfs/dbraw/zinc/25/23/44/136252344.db2.gz WDBGVWKRMWGGJS-NWDGAFQWSA-N 0 3 236.359 3.105 20 0 BGADHN CCc1nocc1CN1CC[C@H](C)C[C@H](C)C1 ZINC000351761052 136252225 /nfs/dbraw/zinc/25/22/25/136252225.db2.gz WDBGVWKRMWGGJS-RYUDHWBXSA-N 0 3 236.359 3.105 20 0 BGADHN CCc1nocc1CN1CC[C@@H](C)C[C@@H](C)C1 ZINC000351761054 136252720 /nfs/dbraw/zinc/25/27/20/136252720.db2.gz WDBGVWKRMWGGJS-VXGBXAGGSA-N 0 3 236.359 3.105 20 0 BGADHN CC[C@@H]1CCN(Cc2cc(OC)ccc2F)C1 ZINC000351775456 356084517 /nfs/dbraw/zinc/08/45/17/356084517.db2.gz UZWWODWRXDDICZ-LLVKDONJSA-N 0 3 237.318 3.066 20 0 BGADHN CC[C@H]1CCN(Cc2cc(OC)ccc2F)C1 ZINC000351775457 356084652 /nfs/dbraw/zinc/08/46/52/356084652.db2.gz UZWWODWRXDDICZ-NSHDSACASA-N 0 3 237.318 3.066 20 0 BGADHN COc1ccc(F)c(CN2[C@H](C)CC[C@H]2C)c1 ZINC000351776235 356085573 /nfs/dbraw/zinc/08/55/73/356085573.db2.gz ZILCOTQIOKJYJF-GHMZBOCLSA-N 0 3 237.318 3.207 20 0 BGADHN COc1ccc(F)c(CN2[C@H](C)CC[C@@H]2C)c1 ZINC000351776237 356085693 /nfs/dbraw/zinc/08/56/93/356085693.db2.gz ZILCOTQIOKJYJF-PHIMTYICSA-N 0 3 237.318 3.207 20 0 BGADHN COc1ccc(F)c(CN2[C@@H](C)CC[C@@H]2C)c1 ZINC000351776238 356085544 /nfs/dbraw/zinc/08/55/44/356085544.db2.gz ZILCOTQIOKJYJF-QWRGUYRKSA-N 0 3 237.318 3.207 20 0 BGADHN COc1ccc(F)c(CN(C)CCC2CC2)c1 ZINC000351810301 536596896 /nfs/dbraw/zinc/59/68/96/536596896.db2.gz NFOSCVMKAOHUNJ-UHFFFAOYSA-N 0 3 237.318 3.066 20 0 BGADHN Cc1cc(C)c2c(c1)CN(CC[C@@H](C)F)CC2 ZINC000351812948 136254747 /nfs/dbraw/zinc/25/47/47/136254747.db2.gz FQKFDIAHONPXPN-CYBMUJFWSA-N 0 3 235.346 3.410 20 0 BGADHN Cc1cc(C)c2c(c1)CN(CC[C@H](C)F)CC2 ZINC000351812950 136254761 /nfs/dbraw/zinc/25/47/61/136254761.db2.gz FQKFDIAHONPXPN-ZDUSSCGKSA-N 0 3 235.346 3.410 20 0 BGADHN CCC1(CC)CCN(Cc2cnc(C)nc2)CC1 ZINC000351814707 136255082 /nfs/dbraw/zinc/25/50/82/136255082.db2.gz KIGCYOJQEDNHRA-UHFFFAOYSA-N 0 3 247.386 3.187 20 0 BGADHN CCCCC[C@H]1CCCN1Cc1ccnc(C)n1 ZINC000351814816 136255279 /nfs/dbraw/zinc/25/52/79/136255279.db2.gz UNLXVVQXUXHVHK-HNNXBMFYSA-N 0 3 247.386 3.330 20 0 BGADHN CCCCC[C@@H]1CCCN1Cc1ccnc(C)n1 ZINC000351814817 535122931 /nfs/dbraw/zinc/12/29/31/535122931.db2.gz UNLXVVQXUXHVHK-OAHLLOKOSA-N 0 3 247.386 3.330 20 0 BGADHN Cc1ncc(CN2CCC(C)(C(C)C)CC2)cn1 ZINC000351823910 356091572 /nfs/dbraw/zinc/09/15/72/356091572.db2.gz OUJFBLDKTHDJTQ-UHFFFAOYSA-N 0 3 247.386 3.043 20 0 BGADHN C[C@H](F)CCN(C)Cc1ccc(F)cc1 ZINC000351843478 133986759 /nfs/dbraw/zinc/98/67/59/133986759.db2.gz FIWGSDBUXVEHDC-JTQLQIEISA-N 0 3 213.271 3.006 20 0 BGADHN C[C@@H](F)CCN(C)Cc1ccc(F)cc1 ZINC000351843480 356096072 /nfs/dbraw/zinc/09/60/72/356096072.db2.gz FIWGSDBUXVEHDC-SNVBAGLBSA-N 0 3 213.271 3.006 20 0 BGADHN CCOc1ccc(CN(C)CC[C@@H](C)F)cc1 ZINC000351851471 136257471 /nfs/dbraw/zinc/25/74/71/136257471.db2.gz AMVPQNSECKZZQS-GFCCVEGCSA-N 0 3 239.334 3.265 20 0 BGADHN CCOc1ccc(CN(C)CC[C@H](C)F)cc1 ZINC000351851472 136257536 /nfs/dbraw/zinc/25/75/36/136257536.db2.gz AMVPQNSECKZZQS-LBPRGKRZSA-N 0 3 239.334 3.265 20 0 BGADHN CN(CCCCF)Cc1ccccc1F ZINC000351853302 536334308 /nfs/dbraw/zinc/33/43/08/536334308.db2.gz MKBJXQUNASGVOE-UHFFFAOYSA-N 0 3 213.271 3.007 20 0 BGADHN C[C@H](F)CCN(C)Cc1cccc(F)c1 ZINC000351855816 136258173 /nfs/dbraw/zinc/25/81/73/136258173.db2.gz HATYUZHMTAHEQU-JTQLQIEISA-N 0 3 213.271 3.006 20 0 BGADHN C[C@@H](F)CCN(C)Cc1cccc(F)c1 ZINC000351855817 136258231 /nfs/dbraw/zinc/25/82/31/136258231.db2.gz HATYUZHMTAHEQU-SNVBAGLBSA-N 0 3 213.271 3.006 20 0 BGADHN Cc1cccc(OCCN(C)CC[C@@H](C)F)c1 ZINC000351856666 136258393 /nfs/dbraw/zinc/25/83/93/136258393.db2.gz RVOVBHWDDBNJQW-CYBMUJFWSA-N 0 3 239.334 3.054 20 0 BGADHN Cc1cccc(OCCN(C)CC[C@H](C)F)c1 ZINC000351856667 136258135 /nfs/dbraw/zinc/25/81/35/136258135.db2.gz RVOVBHWDDBNJQW-ZDUSSCGKSA-N 0 3 239.334 3.054 20 0 BGADHN Cc1cccc(CN(C)CC[C@@H](C)F)c1 ZINC000351859565 356098533 /nfs/dbraw/zinc/09/85/33/356098533.db2.gz LAPVDQOSONXYGO-GFCCVEGCSA-N 0 3 209.308 3.175 20 0 BGADHN Cc1cccc(CN(C)CC[C@H](C)F)c1 ZINC000351859566 356098061 /nfs/dbraw/zinc/09/80/61/356098061.db2.gz LAPVDQOSONXYGO-LBPRGKRZSA-N 0 3 209.308 3.175 20 0 BGADHN CCOc1ccccc1CN(C)CC[C@@H](C)F ZINC000351860464 356098509 /nfs/dbraw/zinc/09/85/09/356098509.db2.gz LUFIJWXXKCUHJZ-GFCCVEGCSA-N 0 3 239.334 3.265 20 0 BGADHN CCOc1ccccc1CN(C)CC[C@H](C)F ZINC000351860465 356097957 /nfs/dbraw/zinc/09/79/57/356097957.db2.gz LUFIJWXXKCUHJZ-LBPRGKRZSA-N 0 3 239.334 3.265 20 0 BGADHN C[C@@H](F)CCN(C)Cc1ccc(F)c(F)c1 ZINC000351860860 356098305 /nfs/dbraw/zinc/09/83/05/356098305.db2.gz QUUXRIKSGAZHQE-SECBINFHSA-N 0 3 231.261 3.145 20 0 BGADHN C[C@H](F)CCN(C)Cc1ccc(F)c(F)c1 ZINC000351860861 356098573 /nfs/dbraw/zinc/09/85/73/356098573.db2.gz QUUXRIKSGAZHQE-VIFPVBQESA-N 0 3 231.261 3.145 20 0 BGADHN CCN(CC[C@@H](C)F)Cc1cccc(F)c1 ZINC000351860871 133987110 /nfs/dbraw/zinc/98/71/10/133987110.db2.gz QWLWAHQNXWZMFS-LLVKDONJSA-N 0 3 227.298 3.396 20 0 BGADHN CCN(CC[C@H](C)F)Cc1cccc(F)c1 ZINC000351860872 356098490 /nfs/dbraw/zinc/09/84/90/356098490.db2.gz QWLWAHQNXWZMFS-NSHDSACASA-N 0 3 227.298 3.396 20 0 BGADHN CCOc1ccccc1CN(C)CCCCF ZINC000351865812 356101808 /nfs/dbraw/zinc/10/18/08/356101808.db2.gz VREZPRAAAKMICW-UHFFFAOYSA-N 0 3 239.334 3.267 20 0 BGADHN CCC[C@@H](C)[C@@H]1CCCN1Cc1cnc(C)nc1 ZINC000351869990 136259273 /nfs/dbraw/zinc/25/92/73/136259273.db2.gz JXHBTVJOVYYFSI-DOMZBBRYSA-N 0 3 247.386 3.186 20 0 BGADHN CCC[C@@H](C)[C@H]1CCCN1Cc1cnc(C)nc1 ZINC000351869991 136259147 /nfs/dbraw/zinc/25/91/47/136259147.db2.gz JXHBTVJOVYYFSI-IUODEOHRSA-N 0 3 247.386 3.186 20 0 BGADHN CCC[C@H](C)[C@H]1CCCN1Cc1cnc(C)nc1 ZINC000351869992 535658321 /nfs/dbraw/zinc/65/83/21/535658321.db2.gz JXHBTVJOVYYFSI-SWLSCSKDSA-N 0 3 247.386 3.186 20 0 BGADHN CCC[C@H](C)[C@@H]1CCCN1Cc1cnc(C)nc1 ZINC000351869993 535656873 /nfs/dbraw/zinc/65/68/73/535656873.db2.gz JXHBTVJOVYYFSI-WFASDCNBSA-N 0 3 247.386 3.186 20 0 BGADHN CCCCC[C@H]1CCCN1Cc1cnc(C)nc1 ZINC000351870232 136259553 /nfs/dbraw/zinc/25/95/53/136259553.db2.gz LJJPFKGQNFADKR-HNNXBMFYSA-N 0 3 247.386 3.330 20 0 BGADHN CCCCC[C@@H]1CCCN1Cc1cnc(C)nc1 ZINC000351870233 535124463 /nfs/dbraw/zinc/12/44/63/535124463.db2.gz LJJPFKGQNFADKR-OAHLLOKOSA-N 0 3 247.386 3.330 20 0 BGADHN Cc1ncc(CN2CCC[C@@H](CC(C)C)C2)cn1 ZINC000351870890 136260126 /nfs/dbraw/zinc/26/01/26/136260126.db2.gz PEMWPCQKLFCMBJ-AWEZNQCLSA-N 0 3 247.386 3.043 20 0 BGADHN Cc1ncc(CN2CCC[C@H](CC(C)C)C2)cn1 ZINC000351870891 136260184 /nfs/dbraw/zinc/26/01/84/136260184.db2.gz PEMWPCQKLFCMBJ-CQSZACIVSA-N 0 3 247.386 3.043 20 0 BGADHN Cc1ncc(CN(C)C2CCC(C)(C)CC2)cn1 ZINC000351871123 136260304 /nfs/dbraw/zinc/26/03/04/136260304.db2.gz RCEJOOSEJBXQGX-UHFFFAOYSA-N 0 3 247.386 3.186 20 0 BGADHN Cc1ncc(CN2CCC[C@H]2CCC(C)C)cn1 ZINC000351873441 136371143 /nfs/dbraw/zinc/37/11/43/136371143.db2.gz YNJSRZKSYRXTQS-HNNXBMFYSA-N 0 3 247.386 3.186 20 0 BGADHN Cc1ncc(CN2CCC[C@@H]2CCC(C)C)cn1 ZINC000351873443 136371327 /nfs/dbraw/zinc/37/13/27/136371327.db2.gz YNJSRZKSYRXTQS-OAHLLOKOSA-N 0 3 247.386 3.186 20 0 BGADHN CCC[C@H]1[C@H](C)CCCN1Cc1cnc(C)nc1 ZINC000351875568 136261253 /nfs/dbraw/zinc/26/12/53/136261253.db2.gz MOARWFJPOMGFHG-DOMZBBRYSA-N 0 3 247.386 3.186 20 0 BGADHN CCC[C@@H]1[C@H](C)CCCN1Cc1cnc(C)nc1 ZINC000351875576 535510220 /nfs/dbraw/zinc/51/02/20/535510220.db2.gz MOARWFJPOMGFHG-IUODEOHRSA-N 0 3 247.386 3.186 20 0 BGADHN CCC[C@@H]1[C@@H](C)CCCN1Cc1cnc(C)nc1 ZINC000351875583 535506654 /nfs/dbraw/zinc/50/66/54/535506654.db2.gz MOARWFJPOMGFHG-SWLSCSKDSA-N 0 3 247.386 3.186 20 0 BGADHN CCC[C@H]1[C@@H](C)CCCN1Cc1cnc(C)nc1 ZINC000351875589 136261158 /nfs/dbraw/zinc/26/11/58/136261158.db2.gz MOARWFJPOMGFHG-WFASDCNBSA-N 0 3 247.386 3.186 20 0 BGADHN C[C@H](F)CCN1CCS[C@@H]2CCCC[C@H]21 ZINC000351879132 136262142 /nfs/dbraw/zinc/26/21/42/136262142.db2.gz GYSDTRGRPMPUID-QJPTWQEYSA-N 0 3 231.380 3.095 20 0 BGADHN C[C@H](F)CCN1CCS[C@@H]2CCCC[C@@H]21 ZINC000351879139 136262264 /nfs/dbraw/zinc/26/22/64/136262264.db2.gz GYSDTRGRPMPUID-SDDRHHMPSA-N 0 3 231.380 3.095 20 0 BGADHN C[C@H](F)CCN1CCS[C@H]2CCCC[C@@H]21 ZINC000351879140 136262079 /nfs/dbraw/zinc/26/20/79/136262079.db2.gz GYSDTRGRPMPUID-SRVKXCTJSA-N 0 3 231.380 3.095 20 0 BGADHN C[C@H](F)CCN1CCS[C@H]2CCCC[C@H]21 ZINC000351879141 136262181 /nfs/dbraw/zinc/26/21/81/136262181.db2.gz GYSDTRGRPMPUID-TUAOUCFPSA-N 0 3 231.380 3.095 20 0 BGADHN COc1ccccc1C(C)(C)NCC[C@@H](C)F ZINC000351882442 356124641 /nfs/dbraw/zinc/12/46/41/356124641.db2.gz PXWLMMNNOYGRSM-LLVKDONJSA-N 0 3 239.334 3.268 20 0 BGADHN COc1ccccc1C(C)(C)NCC[C@H](C)F ZINC000351882443 356124543 /nfs/dbraw/zinc/12/45/43/356124543.db2.gz PXWLMMNNOYGRSM-NSHDSACASA-N 0 3 239.334 3.268 20 0 BGADHN C[C@@H](F)CCN(CCC(F)(F)F)CC1CC1 ZINC000351883240 356128002 /nfs/dbraw/zinc/12/80/02/356128002.db2.gz UMKAUWZBAWZWLL-SECBINFHSA-N 0 3 241.272 3.399 20 0 BGADHN C[C@H](F)CCN(CCC(F)(F)F)CC1CC1 ZINC000351883241 356128128 /nfs/dbraw/zinc/12/81/28/356128128.db2.gz UMKAUWZBAWZWLL-VIFPVBQESA-N 0 3 241.272 3.399 20 0 BGADHN CCc1ccc(CN(C)C[C@H](C)CC)o1 ZINC000351886600 356144282 /nfs/dbraw/zinc/14/42/82/356144282.db2.gz DNQYZJDRJXPCOO-LLVKDONJSA-N 0 3 209.333 3.320 20 0 BGADHN CCc1ccc(CN(C)C[C@@H](C)CC)o1 ZINC000351886601 356144193 /nfs/dbraw/zinc/14/41/93/356144193.db2.gz DNQYZJDRJXPCOO-NSHDSACASA-N 0 3 209.333 3.320 20 0 BGADHN CC[C@@H](C)CN(C)Cc1cnc2cccc(C)n12 ZINC000351892669 356158928 /nfs/dbraw/zinc/15/89/28/356158928.db2.gz SKUYURQXQOILSO-GFCCVEGCSA-N 0 3 245.370 3.121 20 0 BGADHN CC[C@H](C)CN(C)Cc1cnc2cccc(C)n12 ZINC000351892670 356159058 /nfs/dbraw/zinc/15/90/58/356159058.db2.gz SKUYURQXQOILSO-LBPRGKRZSA-N 0 3 245.370 3.121 20 0 BGADHN C[C@@H](F)CCN(C)[C@H](C)c1cccc(O)c1 ZINC000351893323 356160666 /nfs/dbraw/zinc/16/06/66/356160666.db2.gz UPNCIPJPQSWFEZ-GHMZBOCLSA-N 0 3 225.307 3.133 20 0 BGADHN C[C@@H](F)CCN(C)[C@@H](C)c1cccc(O)c1 ZINC000351893324 356161022 /nfs/dbraw/zinc/16/10/22/356161022.db2.gz UPNCIPJPQSWFEZ-MNOVXSKESA-N 0 3 225.307 3.133 20 0 BGADHN C[C@H](F)CCN(C)[C@@H](C)c1cccc(O)c1 ZINC000351893325 356161147 /nfs/dbraw/zinc/16/11/47/356161147.db2.gz UPNCIPJPQSWFEZ-QWRGUYRKSA-N 0 3 225.307 3.133 20 0 BGADHN C[C@H](c1cccc(O)c1)N(C)CC[C@H](C)F ZINC000351893326 356161086 /nfs/dbraw/zinc/16/10/86/356161086.db2.gz UPNCIPJPQSWFEZ-WDEREUQCSA-N 0 3 225.307 3.133 20 0 BGADHN CC(C)N(CC[C@@H](C)F)Cc1ccco1 ZINC000351911883 356196773 /nfs/dbraw/zinc/19/67/73/356196773.db2.gz SNQVNWGIBNSATG-LLVKDONJSA-N 0 3 213.296 3.238 20 0 BGADHN CC(C)N(CC[C@H](C)F)Cc1ccco1 ZINC000351911884 356196678 /nfs/dbraw/zinc/19/66/78/356196678.db2.gz SNQVNWGIBNSATG-NSHDSACASA-N 0 3 213.296 3.238 20 0 BGADHN CC[C@H]1CCCCCN1Cc1cccc(OC)n1 ZINC000351912358 356197288 /nfs/dbraw/zinc/19/72/88/356197288.db2.gz HWPFNINMFZQQFS-AWEZNQCLSA-N 0 3 248.370 3.245 20 0 BGADHN CC[C@@H]1CCCCCN1Cc1cccc(OC)n1 ZINC000351912359 356197622 /nfs/dbraw/zinc/19/76/22/356197622.db2.gz HWPFNINMFZQQFS-CQSZACIVSA-N 0 3 248.370 3.245 20 0 BGADHN C[C@@H](F)CCN(C)[C@H](C)c1cccs1 ZINC000351915061 134001874 /nfs/dbraw/zinc/00/18/74/134001874.db2.gz YRKXDNJEIZEIJP-NXEZZACHSA-N 0 3 215.337 3.489 20 0 BGADHN C[C@H](F)CCN(C)[C@@H](C)c1cccs1 ZINC000351915062 134002228 /nfs/dbraw/zinc/00/22/28/134002228.db2.gz YRKXDNJEIZEIJP-UWVGGRQHSA-N 0 3 215.337 3.489 20 0 BGADHN C[C@H](c1cccs1)N(C)CC[C@H](C)F ZINC000351915063 134001869 /nfs/dbraw/zinc/00/18/69/134001869.db2.gz YRKXDNJEIZEIJP-VHSXEESVSA-N 0 3 215.337 3.489 20 0 BGADHN C[C@@H](F)CCN(C)[C@@H](C)c1cccs1 ZINC000351915064 134002199 /nfs/dbraw/zinc/00/21/99/134002199.db2.gz YRKXDNJEIZEIJP-ZJUUUORDSA-N 0 3 215.337 3.489 20 0 BGADHN COc1ccc(CN2CCCC3(CC3)C2)cc1C ZINC000351915150 134002172 /nfs/dbraw/zinc/00/21/72/134002172.db2.gz JMKZQTQVWMDSJV-UHFFFAOYSA-N 0 3 245.366 3.380 20 0 BGADHN CC[C@@H](C)CN1CCc2cc(F)ccc2C1 ZINC000351933357 134014242 /nfs/dbraw/zinc/01/42/42/134014242.db2.gz BDGTWEAFQPMQIN-LLVKDONJSA-N 0 3 221.319 3.230 20 0 BGADHN CC[C@H](C)CN1CCc2cc(F)ccc2C1 ZINC000351933358 134014088 /nfs/dbraw/zinc/01/40/88/134014088.db2.gz BDGTWEAFQPMQIN-NSHDSACASA-N 0 3 221.319 3.230 20 0 BGADHN COc1ccc(C)cc1CN1CCCC2(CC2)C1 ZINC000351941055 134014970 /nfs/dbraw/zinc/01/49/70/134014970.db2.gz MDUYVOJPPJWCPI-UHFFFAOYSA-N 0 3 245.366 3.380 20 0 BGADHN CC[C@@H]1CCCN(Cc2cccc3c2OCO3)C1 ZINC000351963583 134024407 /nfs/dbraw/zinc/02/44/07/134024407.db2.gz FZRSXPWTCMBACA-GFCCVEGCSA-N 0 3 247.338 3.037 20 0 BGADHN CC[C@H]1CCCN(Cc2cccc3c2OCO3)C1 ZINC000351963584 134024528 /nfs/dbraw/zinc/02/45/28/134024528.db2.gz FZRSXPWTCMBACA-LBPRGKRZSA-N 0 3 247.338 3.037 20 0 BGADHN CCc1ccc(CN2CCC[C@@H](CC)C2)o1 ZINC000351964311 134024552 /nfs/dbraw/zinc/02/45/52/134024552.db2.gz KSPSKLVEOXDXBL-GFCCVEGCSA-N 0 3 221.344 3.464 20 0 BGADHN CCc1ccc(CN2CCC[C@H](CC)C2)o1 ZINC000351964312 134024738 /nfs/dbraw/zinc/02/47/38/134024738.db2.gz KSPSKLVEOXDXBL-LBPRGKRZSA-N 0 3 221.344 3.464 20 0 BGADHN CCOc1cccc(CN2CCC[C@@H](CC)C2)n1 ZINC000351965408 134024573 /nfs/dbraw/zinc/02/45/73/134024573.db2.gz SNQIWNHHWWIYEL-CYBMUJFWSA-N 0 3 248.370 3.102 20 0 BGADHN CCOc1cccc(CN2CCC[C@H](CC)C2)n1 ZINC000351965409 134024685 /nfs/dbraw/zinc/02/46/85/134024685.db2.gz SNQIWNHHWWIYEL-ZDUSSCGKSA-N 0 3 248.370 3.102 20 0 BGADHN CN(CCCc1cccc(F)c1)Cc1ccoc1 ZINC000351977915 536361918 /nfs/dbraw/zinc/36/19/18/536361918.db2.gz LQUAWXLZHDJSLS-UHFFFAOYSA-N 0 3 247.313 3.483 20 0 BGADHN C[N@H+](Cc1cc([O-])cc(F)c1)C[C@@H]1CC=CCC1 ZINC000351980786 134025725 /nfs/dbraw/zinc/02/57/25/134025725.db2.gz GVHLXEDZUBUOHF-GFCCVEGCSA-N 0 3 249.329 3.319 20 0 BGADHN C[N@@H+](Cc1cc([O-])cc(F)c1)C[C@@H]1CC=CCC1 ZINC000351980786 134025724 /nfs/dbraw/zinc/02/57/24/134025724.db2.gz GVHLXEDZUBUOHF-GFCCVEGCSA-N 0 3 249.329 3.319 20 0 BGADHN C[N@H+](Cc1cc([O-])cc(F)c1)C[C@H]1CC=CCC1 ZINC000351980787 134025467 /nfs/dbraw/zinc/02/54/67/134025467.db2.gz GVHLXEDZUBUOHF-LBPRGKRZSA-N 0 3 249.329 3.319 20 0 BGADHN C[N@@H+](Cc1cc([O-])cc(F)c1)C[C@H]1CC=CCC1 ZINC000351980787 134025466 /nfs/dbraw/zinc/02/54/66/134025466.db2.gz GVHLXEDZUBUOHF-LBPRGKRZSA-N 0 3 249.329 3.319 20 0 BGADHN CC/C=C/CCN1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000351983908 134025941 /nfs/dbraw/zinc/02/59/41/134025941.db2.gz VLQBIRQZVOMBIW-BEVHLOIGSA-N 0 3 237.387 3.232 20 0 BGADHN CC/C=C/CCN1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000351983909 134025773 /nfs/dbraw/zinc/02/57/73/134025773.db2.gz VLQBIRQZVOMBIW-IHDARNGBSA-N 0 3 237.387 3.232 20 0 BGADHN CC/C=C\CCN1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000351983910 134026184 /nfs/dbraw/zinc/02/61/84/134026184.db2.gz VLQBIRQZVOMBIW-LAWSMPECSA-N 0 3 237.387 3.232 20 0 BGADHN CC/C=C\CCN1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000351983911 134026086 /nfs/dbraw/zinc/02/60/86/134026086.db2.gz VLQBIRQZVOMBIW-QJTIAFMVSA-N 0 3 237.387 3.232 20 0 BGADHN CCCC[N@@H+](Cc1cc([O-])cc(F)c1)C1CC1 ZINC000351987938 134026492 /nfs/dbraw/zinc/02/64/92/134026492.db2.gz BWTKNYTZJCQDEF-UHFFFAOYSA-N 0 3 237.318 3.296 20 0 BGADHN CCCC[N@H+](Cc1cc([O-])cc(F)c1)C1CC1 ZINC000351987938 134026491 /nfs/dbraw/zinc/02/64/91/134026491.db2.gz BWTKNYTZJCQDEF-UHFFFAOYSA-N 0 3 237.318 3.296 20 0 BGADHN Cc1ccc2[nH]c(CN(C)C3CC3)cc2c1C ZINC000351989112 134026435 /nfs/dbraw/zinc/02/64/35/134026435.db2.gz QAAIBYFYJXCJAQ-UHFFFAOYSA-N 0 3 228.339 3.379 20 0 BGADHN CC[N@@H+](Cc1cc([O-])cc(F)c1)[C@H](C)C(C)C ZINC000351989432 134027002 /nfs/dbraw/zinc/02/70/02/134027002.db2.gz UNGGZNPDCPTDBN-LLVKDONJSA-N 0 3 239.334 3.398 20 0 BGADHN CC[N@H+](Cc1cc([O-])cc(F)c1)[C@H](C)C(C)C ZINC000351989432 134027001 /nfs/dbraw/zinc/02/70/01/134027001.db2.gz UNGGZNPDCPTDBN-LLVKDONJSA-N 0 3 239.334 3.398 20 0 BGADHN CC[N@@H+](Cc1cc([O-])cc(F)c1)[C@@H](C)C(C)C ZINC000351989533 134026836 /nfs/dbraw/zinc/02/68/36/134026836.db2.gz UNGGZNPDCPTDBN-NSHDSACASA-N 0 3 239.334 3.398 20 0 BGADHN CC[N@H+](Cc1cc([O-])cc(F)c1)[C@@H](C)C(C)C ZINC000351989533 134026835 /nfs/dbraw/zinc/02/68/35/134026835.db2.gz UNGGZNPDCPTDBN-NSHDSACASA-N 0 3 239.334 3.398 20 0 BGADHN CC[N@@H+](CCC1CC1)Cc1cc([O-])cc(F)c1 ZINC000351989576 134027030 /nfs/dbraw/zinc/02/70/30/134027030.db2.gz UZHORKITLHDHCX-UHFFFAOYSA-N 0 3 237.318 3.153 20 0 BGADHN CC[N@H+](CCC1CC1)Cc1cc([O-])cc(F)c1 ZINC000351989576 134027029 /nfs/dbraw/zinc/02/70/29/134027029.db2.gz UZHORKITLHDHCX-UHFFFAOYSA-N 0 3 237.318 3.153 20 0 BGADHN CC(C)SCCN1CCC(F)(F)[C@@H](C)C1 ZINC000351994027 535105343 /nfs/dbraw/zinc/10/53/43/535105343.db2.gz JKQVESBWEGFAPF-JTQLQIEISA-N 0 3 237.359 3.105 20 0 BGADHN CC(C)SCCN1CCC(F)(F)[C@H](C)C1 ZINC000351994028 535105197 /nfs/dbraw/zinc/10/51/97/535105197.db2.gz JKQVESBWEGFAPF-SNVBAGLBSA-N 0 3 237.359 3.105 20 0 BGADHN Cc1ncc(CN2CC(C)(C)CC(C)(C)C2)cn1 ZINC000351995477 134033388 /nfs/dbraw/zinc/03/33/88/134033388.db2.gz PZAKZJAVOMWFQJ-UHFFFAOYSA-N 0 3 247.386 3.043 20 0 BGADHN CCCN(CC)Cc1nn(CC)c2ccccc12 ZINC000351996603 134033010 /nfs/dbraw/zinc/03/30/10/134033010.db2.gz PUGFXKYBOMFXRZ-UHFFFAOYSA-N 0 3 245.370 3.288 20 0 BGADHN C[C@H](F)CCN1CCO[C@@H](C2CCCCC2)C1 ZINC000351996823 134033017 /nfs/dbraw/zinc/03/30/17/134033017.db2.gz VRUZAMWNNZXLTR-GXTWGEPZSA-N 0 3 243.366 3.016 20 0 BGADHN C[C@H](F)CCN1CCO[C@H](C2CCCCC2)C1 ZINC000351996824 134033303 /nfs/dbraw/zinc/03/33/03/134033303.db2.gz VRUZAMWNNZXLTR-JSGCOSHPSA-N 0 3 243.366 3.016 20 0 BGADHN C[C@@H](F)CCN1CCO[C@H](C2CCCCC2)C1 ZINC000351996825 134033409 /nfs/dbraw/zinc/03/34/09/134033409.db2.gz VRUZAMWNNZXLTR-OCCSQVGLSA-N 0 3 243.366 3.016 20 0 BGADHN C[C@@H](F)CCN1CCO[C@@H](C2CCCCC2)C1 ZINC000351996826 134033377 /nfs/dbraw/zinc/03/33/77/134033377.db2.gz VRUZAMWNNZXLTR-TZMCWYRMSA-N 0 3 243.366 3.016 20 0 BGADHN FCCCCN1CCO[C@H](C2CCCCC2)C1 ZINC000351997306 134033336 /nfs/dbraw/zinc/03/33/36/134033336.db2.gz XLCYULKQVBGRHA-AWEZNQCLSA-N 0 3 243.366 3.017 20 0 BGADHN FCCCCN1CCO[C@@H](C2CCCCC2)C1 ZINC000351997307 134033423 /nfs/dbraw/zinc/03/34/23/134033423.db2.gz XLCYULKQVBGRHA-CQSZACIVSA-N 0 3 243.366 3.017 20 0 BGADHN CCN(C)Cc1cc2c(ccc(C)c2C)[nH]1 ZINC000351997623 134032915 /nfs/dbraw/zinc/03/29/15/134032915.db2.gz VKKPQMHZHZMCSD-UHFFFAOYSA-N 0 3 216.328 3.236 20 0 BGADHN CC(C)CCOCCN1CCC(F)(F)[C@H](C)C1 ZINC000351998608 134033755 /nfs/dbraw/zinc/03/37/55/134033755.db2.gz WSAHRLDOIBGBLY-GFCCVEGCSA-N 0 3 249.345 3.026 20 0 BGADHN CC(C)CCOCCN1CCC(F)(F)[C@@H](C)C1 ZINC000351998609 134034043 /nfs/dbraw/zinc/03/40/43/134034043.db2.gz WSAHRLDOIBGBLY-LBPRGKRZSA-N 0 3 249.345 3.026 20 0 BGADHN [O-]c1cc(F)cc(C[NH+](CC2CC2)CC2CC2)c1 ZINC000352000951 134033807 /nfs/dbraw/zinc/03/38/07/134033807.db2.gz BTJDQINFAVYIBS-UHFFFAOYSA-N 0 3 249.329 3.153 20 0 BGADHN CC[C@@H](C)[C@H](C)N(Cc1cnc(C)nc1)C1CC1 ZINC000352001582 134033721 /nfs/dbraw/zinc/03/37/21/134033721.db2.gz CHJDNKBMFBNSSR-NEPJUHHUSA-N 0 3 247.386 3.184 20 0 BGADHN CC[C@H](C)[C@@H](C)N(Cc1cnc(C)nc1)C1CC1 ZINC000352001595 535826353 /nfs/dbraw/zinc/82/63/53/535826353.db2.gz CHJDNKBMFBNSSR-NWDGAFQWSA-N 0 3 247.386 3.184 20 0 BGADHN CC[C@H](C)[C@H](C)N(Cc1cnc(C)nc1)C1CC1 ZINC000352001597 535933459 /nfs/dbraw/zinc/93/34/59/535933459.db2.gz CHJDNKBMFBNSSR-RYUDHWBXSA-N 0 3 247.386 3.184 20 0 BGADHN CC[C@@H](C)[C@@H](C)N(Cc1cnc(C)nc1)C1CC1 ZINC000352001598 134033739 /nfs/dbraw/zinc/03/37/39/134033739.db2.gz CHJDNKBMFBNSSR-VXGBXAGGSA-N 0 3 247.386 3.184 20 0 BGADHN C[C@@H](F)CCN1CCC(C(F)(F)F)CC1 ZINC000352001958 134025443 /nfs/dbraw/zinc/02/54/43/134025443.db2.gz DRAOBDRYSXBUHQ-MRVPVSSYSA-N 0 3 227.245 3.009 20 0 BGADHN C[C@H](F)CCN1CCC(C(F)(F)F)CC1 ZINC000352001959 134025653 /nfs/dbraw/zinc/02/56/53/134025653.db2.gz DRAOBDRYSXBUHQ-QMMMGPOBSA-N 0 3 227.245 3.009 20 0 BGADHN C[C@@H]1C[N@@H+](Cc2cc([O-])cc(F)c2)C(C)(C)C1 ZINC000352002088 176302274 /nfs/dbraw/zinc/30/22/74/176302274.db2.gz KGFQTQFGAREWIC-JTQLQIEISA-N 0 3 237.318 3.152 20 0 BGADHN C[C@@H]1C[N@H+](Cc2cc([O-])cc(F)c2)C(C)(C)C1 ZINC000352002088 176302272 /nfs/dbraw/zinc/30/22/72/176302272.db2.gz KGFQTQFGAREWIC-JTQLQIEISA-N 0 3 237.318 3.152 20 0 BGADHN C[C@H]1C[N@@H+](Cc2cc([O-])cc(F)c2)C(C)(C)C1 ZINC000352002089 177260530 /nfs/dbraw/zinc/26/05/30/177260530.db2.gz KGFQTQFGAREWIC-SNVBAGLBSA-N 0 3 237.318 3.152 20 0 BGADHN C[C@H]1C[N@H+](Cc2cc([O-])cc(F)c2)C(C)(C)C1 ZINC000352002089 177260529 /nfs/dbraw/zinc/26/05/29/177260529.db2.gz KGFQTQFGAREWIC-SNVBAGLBSA-N 0 3 237.318 3.152 20 0 BGADHN C[C@H](F)CCN1CC[C@H]1c1ccccc1 ZINC000352002398 134033698 /nfs/dbraw/zinc/03/36/98/134033698.db2.gz GYZUHTVDVDFGOD-AAEUAGOBSA-N 0 3 207.292 3.182 20 0 BGADHN C[C@@H](F)CCN1CC[C@@H]1c1ccccc1 ZINC000352002399 134033771 /nfs/dbraw/zinc/03/37/71/134033771.db2.gz GYZUHTVDVDFGOD-DGCLKSJQSA-N 0 3 207.292 3.182 20 0 BGADHN C[C@H](F)CCN1CC[C@@H]1c1ccccc1 ZINC000352002400 134033947 /nfs/dbraw/zinc/03/39/47/134033947.db2.gz GYZUHTVDVDFGOD-WCQYABFASA-N 0 3 207.292 3.182 20 0 BGADHN C[C@@H](F)CCN1CC[C@H]1c1ccccc1 ZINC000352002401 134033893 /nfs/dbraw/zinc/03/38/93/134033893.db2.gz GYZUHTVDVDFGOD-YPMHNXCESA-N 0 3 207.292 3.182 20 0 BGADHN CC[C@@H](C)N(C)Cc1nn(CC)c2ccccc12 ZINC000352002971 134033569 /nfs/dbraw/zinc/03/35/69/134033569.db2.gz OMHYFEIRNDIFDU-GFCCVEGCSA-N 0 3 245.370 3.287 20 0 BGADHN CC[C@H](C)N(C)Cc1nn(CC)c2ccccc12 ZINC000352002972 134033958 /nfs/dbraw/zinc/03/39/58/134033958.db2.gz OMHYFEIRNDIFDU-LBPRGKRZSA-N 0 3 245.370 3.287 20 0 BGADHN FCCCCN1CCC(C(F)(F)F)CC1 ZINC000352003594 134034922 /nfs/dbraw/zinc/03/49/22/134034922.db2.gz MMWLAYJMDYPEJB-UHFFFAOYSA-N 0 3 227.245 3.010 20 0 BGADHN FCCCCN1CC[C@@H]1c1ccccc1 ZINC000352004788 134034768 /nfs/dbraw/zinc/03/47/68/134034768.db2.gz QCLGDRSFAQYRAW-CYBMUJFWSA-N 0 3 207.292 3.183 20 0 BGADHN FCCCCN1CC[C@H]1c1ccccc1 ZINC000352004789 134034300 /nfs/dbraw/zinc/03/43/00/134034300.db2.gz QCLGDRSFAQYRAW-ZDUSSCGKSA-N 0 3 207.292 3.183 20 0 BGADHN Cc1ncc(CN2CCC[C@H](C(C)C)CC2)cn1 ZINC000352006138 134034724 /nfs/dbraw/zinc/03/47/24/134034724.db2.gz SVDNOIZCKNIHEY-HNNXBMFYSA-N 0 3 247.386 3.043 20 0 BGADHN Cc1ncc(CN2CCC[C@@H](C(C)C)CC2)cn1 ZINC000352006139 134034754 /nfs/dbraw/zinc/03/47/54/134034754.db2.gz SVDNOIZCKNIHEY-OAHLLOKOSA-N 0 3 247.386 3.043 20 0 BGADHN Cc1ccc(CN(C)CC[C@@H](C)F)s1 ZINC000352006243 134034351 /nfs/dbraw/zinc/03/43/51/134034351.db2.gz TZMZKJLWONUVEC-SECBINFHSA-N 0 3 215.337 3.236 20 0 BGADHN Cc1ccc(CN(C)CC[C@H](C)F)s1 ZINC000352006245 134034936 /nfs/dbraw/zinc/03/49/36/134034936.db2.gz TZMZKJLWONUVEC-VIFPVBQESA-N 0 3 215.337 3.236 20 0 BGADHN C[C@H]1CN(CCCCCF)CCC1(F)F ZINC000352018176 134036867 /nfs/dbraw/zinc/03/68/67/134036867.db2.gz OGYOQOKCWFFWPU-JTQLQIEISA-N 0 3 223.282 3.103 20 0 BGADHN C[C@@H]1CN(CCCCCF)CCC1(F)F ZINC000352018177 134036951 /nfs/dbraw/zinc/03/69/51/134036951.db2.gz OGYOQOKCWFFWPU-SNVBAGLBSA-N 0 3 223.282 3.103 20 0 BGADHN CCC[C@@]1(C)CCCN(Cc2cnc(C)nc2)C1 ZINC000352024223 535553798 /nfs/dbraw/zinc/55/37/98/535553798.db2.gz DYLGTTJZPAXYLD-HNNXBMFYSA-N 0 3 247.386 3.187 20 0 BGADHN CCC[C@]1(C)CCCN(Cc2cnc(C)nc2)C1 ZINC000352024224 134040432 /nfs/dbraw/zinc/04/04/32/134040432.db2.gz DYLGTTJZPAXYLD-OAHLLOKOSA-N 0 3 247.386 3.187 20 0 BGADHN CC[C@@H](C)[C@@H]1CCCCN1Cc1cnc(C)nc1 ZINC000352024386 535702202 /nfs/dbraw/zinc/70/22/02/535702202.db2.gz GKEKQEQWGCQXNT-DOMZBBRYSA-N 0 3 247.386 3.186 20 0 BGADHN CC[C@@H](C)[C@H]1CCCCN1Cc1cnc(C)nc1 ZINC000352024387 134040739 /nfs/dbraw/zinc/04/07/39/134040739.db2.gz GKEKQEQWGCQXNT-IUODEOHRSA-N 0 3 247.386 3.186 20 0 BGADHN CC[C@H](C)[C@H]1CCCCN1Cc1cnc(C)nc1 ZINC000352024388 134040843 /nfs/dbraw/zinc/04/08/43/134040843.db2.gz GKEKQEQWGCQXNT-SWLSCSKDSA-N 0 3 247.386 3.186 20 0 BGADHN CC[C@H](C)[C@@H]1CCCCN1Cc1cnc(C)nc1 ZINC000352024389 535914496 /nfs/dbraw/zinc/91/44/96/535914496.db2.gz GKEKQEQWGCQXNT-WFASDCNBSA-N 0 3 247.386 3.186 20 0 BGADHN C[C@@H](F)CCN1CCC[C@@H]1c1ccco1 ZINC000352027804 134044112 /nfs/dbraw/zinc/04/41/12/134044112.db2.gz PEECVUCAARTWDF-GHMZBOCLSA-N 0 3 211.280 3.165 20 0 BGADHN C[C@@H](F)CCN1CCC[C@H]1c1ccco1 ZINC000352027806 134044524 /nfs/dbraw/zinc/04/45/24/134044524.db2.gz PEECVUCAARTWDF-MNOVXSKESA-N 0 3 211.280 3.165 20 0 BGADHN C[C@H](F)CCN1CCC[C@H]1c1ccco1 ZINC000352027807 134044059 /nfs/dbraw/zinc/04/40/59/134044059.db2.gz PEECVUCAARTWDF-QWRGUYRKSA-N 0 3 211.280 3.165 20 0 BGADHN C[C@H](F)CCN1CCC[C@@H]1c1ccco1 ZINC000352027809 134044397 /nfs/dbraw/zinc/04/43/97/134044397.db2.gz PEECVUCAARTWDF-WDEREUQCSA-N 0 3 211.280 3.165 20 0 BGADHN COc1ccc(CN(C)CC[C@@H](C)F)cc1C ZINC000352050554 134046838 /nfs/dbraw/zinc/04/68/38/134046838.db2.gz RUQPMJKHQXUUMM-GFCCVEGCSA-N 0 3 239.334 3.184 20 0 BGADHN COc1ccc(CN(C)CC[C@H](C)F)cc1C ZINC000352050555 134046540 /nfs/dbraw/zinc/04/65/40/134046540.db2.gz RUQPMJKHQXUUMM-LBPRGKRZSA-N 0 3 239.334 3.184 20 0 BGADHN Cc1ccc([C@H]2CCCN2CC[C@H](C)F)o1 ZINC000352064461 134054908 /nfs/dbraw/zinc/05/49/08/134054908.db2.gz YORUAHLSYMQUHT-CMPLNLGQSA-N 0 3 225.307 3.473 20 0 BGADHN Cc1ccc([C@@H]2CCCN2CC[C@H](C)F)o1 ZINC000352064462 134054745 /nfs/dbraw/zinc/05/47/45/134054745.db2.gz YORUAHLSYMQUHT-JQWIXIFHSA-N 0 3 225.307 3.473 20 0 BGADHN Cc1ccc([C@@H]2CCCN2CC[C@@H](C)F)o1 ZINC000352064463 134054731 /nfs/dbraw/zinc/05/47/31/134054731.db2.gz YORUAHLSYMQUHT-PWSUYJOCSA-N 0 3 225.307 3.473 20 0 BGADHN Cc1ccc([C@H]2CCCN2CC[C@@H](C)F)o1 ZINC000352064464 134054933 /nfs/dbraw/zinc/05/49/33/134054933.db2.gz YORUAHLSYMQUHT-ZYHUDNBSSA-N 0 3 225.307 3.473 20 0 BGADHN Cc1ccc(OCCN(C)CC[C@@H](C)F)cc1 ZINC000352092708 134061580 /nfs/dbraw/zinc/06/15/80/134061580.db2.gz WBLBXKXELJCZLJ-CYBMUJFWSA-N 0 3 239.334 3.054 20 0 BGADHN Cc1ccc(OCCN(C)CC[C@H](C)F)cc1 ZINC000352092709 134061718 /nfs/dbraw/zinc/06/17/18/134061718.db2.gz WBLBXKXELJCZLJ-ZDUSSCGKSA-N 0 3 239.334 3.054 20 0 BGADHN CCN(CC[C@H](C)F)Cc1cccs1 ZINC000352092798 134061790 /nfs/dbraw/zinc/06/17/90/134061790.db2.gz YGXFGEOWKRHIRJ-JTQLQIEISA-N 0 3 215.337 3.318 20 0 BGADHN CCN(CC[C@@H](C)F)Cc1cccs1 ZINC000352092799 134061659 /nfs/dbraw/zinc/06/16/59/134061659.db2.gz YGXFGEOWKRHIRJ-SNVBAGLBSA-N 0 3 215.337 3.318 20 0 BGADHN Cc1ccsc1CN(C)CC[C@H](C)F ZINC000352092849 134061513 /nfs/dbraw/zinc/06/15/13/134061513.db2.gz YYXAJQBJJHFDRO-JTQLQIEISA-N 0 3 215.337 3.236 20 0 BGADHN Cc1ccsc1CN(C)CC[C@@H](C)F ZINC000352092850 134061709 /nfs/dbraw/zinc/06/17/09/134061709.db2.gz YYXAJQBJJHFDRO-SNVBAGLBSA-N 0 3 215.337 3.236 20 0 BGADHN C[C@@H](F)CCN1CCc2sccc2[C@H]1C ZINC000352092978 134061712 /nfs/dbraw/zinc/06/17/12/134061712.db2.gz ZLZKROOLFBVVJD-NXEZZACHSA-N 0 3 227.348 3.415 20 0 BGADHN C[C@H](F)CCN1CCc2sccc2[C@@H]1C ZINC000352092980 134061302 /nfs/dbraw/zinc/06/13/02/134061302.db2.gz ZLZKROOLFBVVJD-UWVGGRQHSA-N 0 3 227.348 3.415 20 0 BGADHN C[C@H](F)CCN1CCc2sccc2[C@H]1C ZINC000352092982 134061565 /nfs/dbraw/zinc/06/15/65/134061565.db2.gz ZLZKROOLFBVVJD-VHSXEESVSA-N 0 3 227.348 3.415 20 0 BGADHN C[C@@H](F)CCN1CCc2sccc2[C@@H]1C ZINC000352092984 134061338 /nfs/dbraw/zinc/06/13/38/134061338.db2.gz ZLZKROOLFBVVJD-ZJUUUORDSA-N 0 3 227.348 3.415 20 0 BGADHN C[C@@H](F)CCN1CCC[C@H](C(F)(F)F)C1 ZINC000352103312 134068281 /nfs/dbraw/zinc/06/82/81/134068281.db2.gz ZUOPPQOZWNMFSX-BDAKNGLRSA-N 0 3 227.245 3.009 20 0 BGADHN C[C@H](F)CCN1CCC[C@@H](C(F)(F)F)C1 ZINC000352103313 134067974 /nfs/dbraw/zinc/06/79/74/134067974.db2.gz ZUOPPQOZWNMFSX-DTWKUNHWSA-N 0 3 227.245 3.009 20 0 BGADHN C[C@H](F)CCN1CCC[C@H](C(F)(F)F)C1 ZINC000352103314 134067846 /nfs/dbraw/zinc/06/78/46/134067846.db2.gz ZUOPPQOZWNMFSX-IUCAKERBSA-N 0 3 227.245 3.009 20 0 BGADHN C[C@@H](F)CCN1CCC[C@@H](C(F)(F)F)C1 ZINC000352103315 134068214 /nfs/dbraw/zinc/06/82/14/134068214.db2.gz ZUOPPQOZWNMFSX-RKDXNWHRSA-N 0 3 227.245 3.009 20 0 BGADHN FCCCCN1CCC[C@@H](C(F)(F)F)C1 ZINC000352103321 134067853 /nfs/dbraw/zinc/06/78/53/134067853.db2.gz ZWONYPIYMGORMS-SECBINFHSA-N 0 3 227.245 3.010 20 0 BGADHN FCCCCN1CCC[C@H](C(F)(F)F)C1 ZINC000352103322 134067849 /nfs/dbraw/zinc/06/78/49/134067849.db2.gz ZWONYPIYMGORMS-VIFPVBQESA-N 0 3 227.245 3.010 20 0 BGADHN C[C@H](F)CCN(Cc1cccs1)C1CC1 ZINC000352112537 134068361 /nfs/dbraw/zinc/06/83/61/134068361.db2.gz CJZFBQOLEPJTEL-JTQLQIEISA-N 0 3 227.348 3.461 20 0 BGADHN C[C@@H](F)CCN(Cc1cccs1)C1CC1 ZINC000352112538 134068585 /nfs/dbraw/zinc/06/85/85/134068585.db2.gz CJZFBQOLEPJTEL-SNVBAGLBSA-N 0 3 227.348 3.461 20 0 BGADHN Cc1ccccc1OCCN(C)CC[C@@H](C)F ZINC000352113838 134068611 /nfs/dbraw/zinc/06/86/11/134068611.db2.gz ONBDLVVBFIHLNP-CYBMUJFWSA-N 0 3 239.334 3.054 20 0 BGADHN Cc1ccccc1OCCN(C)CC[C@H](C)F ZINC000352113839 134068671 /nfs/dbraw/zinc/06/86/71/134068671.db2.gz ONBDLVVBFIHLNP-ZDUSSCGKSA-N 0 3 239.334 3.054 20 0 BGADHN CCC[C@H](NC(C)C)C(=O)Nc1cccc(C)c1 ZINC000352128925 398315235 /nfs/dbraw/zinc/31/52/35/398315235.db2.gz KIWWTMDMWNOJLI-AWEZNQCLSA-N 0 3 248.370 3.100 20 0 BGADHN CCC[C@@H](NC(C)C)C(=O)Nc1cccc(C)c1 ZINC000352128926 136746311 /nfs/dbraw/zinc/74/63/11/136746311.db2.gz KIWWTMDMWNOJLI-CQSZACIVSA-N 0 3 248.370 3.100 20 0 BGADHN C[C@@H](F)CCN1CCC[C@@H](c2nccs2)C1 ZINC000352130972 134078456 /nfs/dbraw/zinc/07/84/56/134078456.db2.gz NCPJYGISXGEBDI-GHMZBOCLSA-N 0 3 242.363 3.071 20 0 BGADHN C[C@@H](F)CCN1CCC[C@H](c2nccs2)C1 ZINC000352130973 134078543 /nfs/dbraw/zinc/07/85/43/134078543.db2.gz NCPJYGISXGEBDI-MNOVXSKESA-N 0 3 242.363 3.071 20 0 BGADHN C[C@H](F)CCN1CCC[C@H](c2nccs2)C1 ZINC000352130974 134078295 /nfs/dbraw/zinc/07/82/95/134078295.db2.gz NCPJYGISXGEBDI-QWRGUYRKSA-N 0 3 242.363 3.071 20 0 BGADHN C[C@H](F)CCN1CCC[C@@H](c2nccs2)C1 ZINC000352130975 134078518 /nfs/dbraw/zinc/07/85/18/134078518.db2.gz NCPJYGISXGEBDI-WDEREUQCSA-N 0 3 242.363 3.071 20 0 BGADHN CC1(C2CC2)CCN(CCC(F)(F)F)CC1 ZINC000352174246 168015438 /nfs/dbraw/zinc/01/54/38/168015438.db2.gz AEZVROXSMCCQFE-UHFFFAOYSA-N 0 3 235.293 3.451 20 0 BGADHN CC1(C2CC2)CCN(Cc2ccncc2)CC1 ZINC000352174735 168015509 /nfs/dbraw/zinc/01/55/09/168015509.db2.gz CKBZUFLJMLWSGA-UHFFFAOYSA-N 0 3 230.355 3.094 20 0 BGADHN CC1(C2CC2)CCN(Cc2cccnc2)CC1 ZINC000352176172 168015821 /nfs/dbraw/zinc/01/58/21/168015821.db2.gz LLXDQVHBWYXJOE-UHFFFAOYSA-N 0 3 230.355 3.094 20 0 BGADHN Cc1cccnc1CN1CCC(C)(C2CC2)CC1 ZINC000352176208 136263516 /nfs/dbraw/zinc/26/35/16/136263516.db2.gz MCRHKQMDYPBUJG-UHFFFAOYSA-N 0 3 244.382 3.402 20 0 BGADHN CC1(C2CC2)CCN(Cc2ccccn2)CC1 ZINC000352176478 535108938 /nfs/dbraw/zinc/10/89/38/535108938.db2.gz PHEBUZHIFDDYRW-UHFFFAOYSA-N 0 3 230.355 3.094 20 0 BGADHN Cc1ccncc1CN1CCC(C)(C2CC2)CC1 ZINC000352176773 136263566 /nfs/dbraw/zinc/26/35/66/136263566.db2.gz UJWBGBOAVUVVJH-UHFFFAOYSA-N 0 3 244.382 3.402 20 0 BGADHN Cc1ncccc1CN1CCC(C)(C2CC2)CC1 ZINC000352176791 136263540 /nfs/dbraw/zinc/26/35/40/136263540.db2.gz UPXSWTWXNWTGIQ-UHFFFAOYSA-N 0 3 244.382 3.402 20 0 BGADHN Cc1cc(C)c(CN(C)[C@H]2CCCOC2)c(C)c1 ZINC000352186078 134099893 /nfs/dbraw/zinc/09/98/93/134099893.db2.gz IXGUVFANQGOCEC-HNNXBMFYSA-N 0 3 247.382 3.223 20 0 BGADHN Cc1cc(C)c(CN(C)[C@@H]2CCCOC2)c(C)c1 ZINC000352186079 134099747 /nfs/dbraw/zinc/09/97/47/134099747.db2.gz IXGUVFANQGOCEC-OAHLLOKOSA-N 0 3 247.382 3.223 20 0 BGADHN Cc1ccc(CN2CCC(C)(C3CC3)CC2)nc1 ZINC000352190137 134097536 /nfs/dbraw/zinc/09/75/36/134097536.db2.gz OWXCYDOJRXLERS-UHFFFAOYSA-N 0 3 244.382 3.402 20 0 BGADHN Cc1cncc(CN2CCC(C)(C3CC3)CC2)c1 ZINC000352191534 134097931 /nfs/dbraw/zinc/09/79/31/134097931.db2.gz SKWDMQXVBUKYED-UHFFFAOYSA-N 0 3 244.382 3.402 20 0 BGADHN Cc1cccc(CN2CCC(C)(C3CC3)CC2)n1 ZINC000352192807 134098294 /nfs/dbraw/zinc/09/82/94/134098294.db2.gz XJOYEZSRIXOBJS-UHFFFAOYSA-N 0 3 244.382 3.402 20 0 BGADHN CCN(C[C@@H](C)O)[C@H](C)c1ccccc1Cl ZINC000352195280 134098927 /nfs/dbraw/zinc/09/89/27/134098927.db2.gz PMOHRFXPPOULQH-GHMZBOCLSA-N 0 3 241.762 3.104 20 0 BGADHN CCN(C[C@@H](C)O)[C@@H](C)c1ccccc1Cl ZINC000352195281 535765445 /nfs/dbraw/zinc/76/54/45/535765445.db2.gz PMOHRFXPPOULQH-MNOVXSKESA-N 0 3 241.762 3.104 20 0 BGADHN CCN(C[C@H](C)O)[C@@H](C)c1ccccc1Cl ZINC000352195282 134098667 /nfs/dbraw/zinc/09/86/67/134098667.db2.gz PMOHRFXPPOULQH-QWRGUYRKSA-N 0 3 241.762 3.104 20 0 BGADHN CCN(C[C@H](C)O)[C@H](C)c1ccccc1Cl ZINC000352195283 134098748 /nfs/dbraw/zinc/09/87/48/134098748.db2.gz PMOHRFXPPOULQH-WDEREUQCSA-N 0 3 241.762 3.104 20 0 BGADHN COC1CC(N(C)Cc2ccc(Cl)s2)C1 ZINC000352200429 536716907 /nfs/dbraw/zinc/71/69/07/536716907.db2.gz AQELOAWDTPXUGM-UHFFFAOYSA-N 0 3 245.775 3.011 20 0 BGADHN CCCc1ccc(CN(C)[C@H]2CCCOC2)cc1 ZINC000352200761 535416041 /nfs/dbraw/zinc/41/60/41/535416041.db2.gz BRYWMFRRBAIVQD-INIZCTEOSA-N 0 3 247.382 3.250 20 0 BGADHN CCCc1ccc(CN(C)[C@@H]2CCCOC2)cc1 ZINC000352200762 535416179 /nfs/dbraw/zinc/41/61/79/535416179.db2.gz BRYWMFRRBAIVQD-MRXNPFEDSA-N 0 3 247.382 3.250 20 0 BGADHN CC[C@@H](F)CN1CCC(C)(C2CC2)CC1 ZINC000352200848 134100153 /nfs/dbraw/zinc/10/01/53/134100153.db2.gz NWOLVFGQDVEEFH-GFCCVEGCSA-N 0 3 213.340 3.247 20 0 BGADHN CC[C@H](F)CN1CCC(C)(C2CC2)CC1 ZINC000352200850 134099973 /nfs/dbraw/zinc/09/99/73/134099973.db2.gz NWOLVFGQDVEEFH-LBPRGKRZSA-N 0 3 213.340 3.247 20 0 BGADHN CN(Cc1cc2ccccc2o1)[C@@H]1CCCOC1 ZINC000352202211 134101302 /nfs/dbraw/zinc/10/13/02/134101302.db2.gz IYIDVZUREPBTAE-CYBMUJFWSA-N 0 3 245.322 3.044 20 0 BGADHN CN(Cc1cc2ccccc2o1)[C@H]1CCCOC1 ZINC000352202212 134101281 /nfs/dbraw/zinc/10/12/81/134101281.db2.gz IYIDVZUREPBTAE-ZDUSSCGKSA-N 0 3 245.322 3.044 20 0 BGADHN CC(C)CCCN1CCCC[C@H]1c1cc[nH]n1 ZINC000352221605 134109648 /nfs/dbraw/zinc/10/96/48/134109648.db2.gz MREGSJYRDKVSDH-AWEZNQCLSA-N 0 3 235.375 3.373 20 0 BGADHN CC(C)CCCN1CCCC[C@@H]1c1cc[nH]n1 ZINC000352221606 134109725 /nfs/dbraw/zinc/10/97/25/134109725.db2.gz MREGSJYRDKVSDH-CQSZACIVSA-N 0 3 235.375 3.373 20 0 BGADHN COC1CC(N(C)Cc2cc3ccccc3o2)C1 ZINC000352228957 536716390 /nfs/dbraw/zinc/71/63/90/536716390.db2.gz BOBGNFFTYBTFAP-UHFFFAOYSA-N 0 3 245.322 3.042 20 0 BGADHN CCc1ccc(CNCc2ccc(C)cc2)cn1 ZINC000352241377 134118064 /nfs/dbraw/zinc/11/80/64/134118064.db2.gz LIEIUGZMKHSCGQ-UHFFFAOYSA-N 0 3 240.350 3.242 20 0 BGADHN CCc1ccc(CNCc2ccccc2C)cn1 ZINC000352241711 134118391 /nfs/dbraw/zinc/11/83/91/134118391.db2.gz MZUNGLWCOJMRHD-UHFFFAOYSA-N 0 3 240.350 3.242 20 0 BGADHN Fc1ccc(/C=C\CN2CCCC2)cc1F ZINC000352247203 134118590 /nfs/dbraw/zinc/11/85/90/134118590.db2.gz WVNBGNHZMVKSSD-ARJAWSKDSA-N 0 3 223.266 3.074 20 0 BGADHN CCc1ccc(CNCc2cccc(C)c2)cn1 ZINC000352247271 134118523 /nfs/dbraw/zinc/11/85/23/134118523.db2.gz XKLISXLCVMDDTB-UHFFFAOYSA-N 0 3 240.350 3.242 20 0 BGADHN CCc1ccc(CN[C@H](C)c2ccccc2)cn1 ZINC000352250828 134119145 /nfs/dbraw/zinc/11/91/45/134119145.db2.gz LLCKZIQKJAGAAI-CYBMUJFWSA-N 0 3 240.350 3.495 20 0 BGADHN CCc1ccc(CN[C@@H](C)c2ccccc2)cn1 ZINC000352250829 134118870 /nfs/dbraw/zinc/11/88/70/134118870.db2.gz LLCKZIQKJAGAAI-ZDUSSCGKSA-N 0 3 240.350 3.495 20 0 BGADHN c1cc2cc(CNCc3cccnc3)ccc2o1 ZINC000352257741 134119778 /nfs/dbraw/zinc/11/97/78/134119778.db2.gz WUBJWALCGBWDFH-UHFFFAOYSA-N 0 3 238.290 3.118 20 0 BGADHN Cc1cccc(OCCN2CCCC3(CC3)C2)c1 ZINC000352268304 134129194 /nfs/dbraw/zinc/12/91/94/134129194.db2.gz ZOMVXOPPLUVMHD-UHFFFAOYSA-N 0 3 245.366 3.250 20 0 BGADHN CN(Cc1cccc2c1OC(C)(C)C2)CC1CC1 ZINC000352287783 134137281 /nfs/dbraw/zinc/13/72/81/134137281.db2.gz RRRBSGCAOWWQIF-UHFFFAOYSA-N 0 3 245.366 3.242 20 0 BGADHN COCCN(CC=C(C)C)Cc1ccccc1 ZINC000352302742 174289649 /nfs/dbraw/zinc/28/96/49/174289649.db2.gz NPCGWPQXURQRQM-UHFFFAOYSA-N 0 3 233.355 3.101 20 0 BGADHN Cc1nn(C(C)(C)C)c(C)c1CN(C)CC1CC1 ZINC000352303665 180332363 /nfs/dbraw/zinc/33/23/63/180332363.db2.gz TXXVSCHJKHZJLO-UHFFFAOYSA-N 0 3 249.402 3.097 20 0 BGADHN COc1ccc(CN(C)CC2CC2)c(Cl)c1 ZINC000352304045 188228242 /nfs/dbraw/zinc/22/82/42/188228242.db2.gz WNVXNVAKNAVFEP-UHFFFAOYSA-N 0 3 239.746 3.190 20 0 BGADHN CC(C)CCn1cccc1CN(C)CC1CC1 ZINC000352310085 356315616 /nfs/dbraw/zinc/31/56/16/356315616.db2.gz GFJMXZDVXGKPNM-UHFFFAOYSA-N 0 3 234.387 3.376 20 0 BGADHN COc1ccccc1CN1CCCC(C)(C)C1 ZINC000352319163 175325380 /nfs/dbraw/zinc/32/53/80/175325380.db2.gz HAKYCRNOXSYVLN-UHFFFAOYSA-N 0 3 233.355 3.317 20 0 BGADHN CC1(C)CCCN(Cc2ccccc2F)C1 ZINC000352319363 387077383 /nfs/dbraw/zinc/07/73/83/387077383.db2.gz ILYCQXCIVSYJJO-UHFFFAOYSA-N 0 3 221.319 3.448 20 0 BGADHN CC1(C)CCCN(Cc2cccc(F)c2)C1 ZINC000352320490 387076254 /nfs/dbraw/zinc/07/62/54/387076254.db2.gz QPLNJXRKBWXEFH-UHFFFAOYSA-N 0 3 221.319 3.448 20 0 BGADHN CC1(C)CCCN(Cc2ccc(F)cc2)C1 ZINC000352321050 387077148 /nfs/dbraw/zinc/07/71/48/387077148.db2.gz VHQYLQOMUAONEF-UHFFFAOYSA-N 0 3 221.319 3.448 20 0 BGADHN CC1(C)CCCN(Cc2ccc3c(c2)CCO3)C1 ZINC000352321224 387077955 /nfs/dbraw/zinc/07/79/55/387077955.db2.gz WKHMRLPWAAIXQY-UHFFFAOYSA-N 0 3 245.366 3.244 20 0 BGADHN CCc1ncc(CN2CCCC(C)(C)C2)s1 ZINC000352338033 172017972 /nfs/dbraw/zinc/01/79/72/172017972.db2.gz NTEZEOUVZVWMOG-UHFFFAOYSA-N 0 3 238.400 3.328 20 0 BGADHN CC(C)c1ccc(CN2CCCOCC2)cc1 ZINC000352339054 388360355 /nfs/dbraw/zinc/36/03/55/388360355.db2.gz YVWBOTTYUHIOBV-UHFFFAOYSA-N 0 3 233.355 3.032 20 0 BGADHN CCn1nccc1CN(C)C[C@H](C)CC(C)C ZINC000352342621 172262876 /nfs/dbraw/zinc/26/28/76/172262876.db2.gz WFRSMXWCQNWGAU-CYBMUJFWSA-N 0 3 237.391 3.017 20 0 BGADHN CCn1nccc1CN(C)C[C@@H](C)CC(C)C ZINC000352342622 172263185 /nfs/dbraw/zinc/26/31/85/172263185.db2.gz WFRSMXWCQNWGAU-ZDUSSCGKSA-N 0 3 237.391 3.017 20 0 BGADHN CCc1ccc(CN2CCCC(C)(C)C2)o1 ZINC000352343886 387093834 /nfs/dbraw/zinc/09/38/34/387093834.db2.gz AYNQXZVMYAQQQG-UHFFFAOYSA-N 0 3 221.344 3.464 20 0 BGADHN CCOc1cccc(CN2CCCC(C)(C)C2)n1 ZINC000352344782 387092455 /nfs/dbraw/zinc/09/24/55/387092455.db2.gz GYRBPSQQSPOPOP-UHFFFAOYSA-N 0 3 248.370 3.102 20 0 BGADHN COc1ccsc1CN1CCCC(C)(C)C1 ZINC000352345397 175377470 /nfs/dbraw/zinc/37/74/70/175377470.db2.gz LNHXKHHPZTVHPA-UHFFFAOYSA-N 0 3 239.384 3.379 20 0 BGADHN COc1ccc(CN2CCCC(C)(C)C2)cc1 ZINC000352345589 387092100 /nfs/dbraw/zinc/09/21/00/387092100.db2.gz NFRBGQFVSOVBMJ-UHFFFAOYSA-N 0 3 233.355 3.317 20 0 BGADHN CC1(C)CCCN(Cc2cccc3c2OCO3)C1 ZINC000352347901 387092396 /nfs/dbraw/zinc/09/23/96/387092396.db2.gz YDNFUKWQXFNKDF-UHFFFAOYSA-N 0 3 247.338 3.037 20 0 BGADHN Cc1cc(CN2CCC[C@@H](C(C)(C)C)C2)on1 ZINC000352349840 387093686 /nfs/dbraw/zinc/09/36/86/387093686.db2.gz NPNXOKQNKZMAES-GFCCVEGCSA-N 0 3 236.359 3.241 20 0 BGADHN Cc1cc(CN2CCC[C@H](C(C)(C)C)C2)on1 ZINC000352349841 387092136 /nfs/dbraw/zinc/09/21/36/387092136.db2.gz NPNXOKQNKZMAES-LBPRGKRZSA-N 0 3 236.359 3.241 20 0 BGADHN FCCCCN1CCC(CC(F)(F)F)CC1 ZINC000352361710 387112744 /nfs/dbraw/zinc/11/27/44/387112744.db2.gz MBAXDIIOUKXXGP-UHFFFAOYSA-N 0 3 241.272 3.401 20 0 BGADHN C[C@@H](F)CCN1CCC(CC(F)(F)F)CC1 ZINC000352363968 387113015 /nfs/dbraw/zinc/11/30/15/387113015.db2.gz XBVMNFIGBPJATH-SECBINFHSA-N 0 3 241.272 3.399 20 0 BGADHN C[C@H](F)CCN1CCC(CC(F)(F)F)CC1 ZINC000352363969 387113559 /nfs/dbraw/zinc/11/35/59/387113559.db2.gz XBVMNFIGBPJATH-VIFPVBQESA-N 0 3 241.272 3.399 20 0 BGADHN CCn1nccc1CN(C)CCC(C)(C)CC ZINC000352364468 172263252 /nfs/dbraw/zinc/26/32/52/172263252.db2.gz DPOWWFXFZMAJSC-UHFFFAOYSA-N 0 3 237.391 3.161 20 0 BGADHN Cc1ncsc1CN(CC1CC1)C1CCC1 ZINC000352365089 180316216 /nfs/dbraw/zinc/31/62/16/180316216.db2.gz MYXFCRONJXERDC-UHFFFAOYSA-N 0 3 236.384 3.216 20 0 BGADHN CCN(Cc1scnc1C)CC1CCC1 ZINC000352365449 356329546 /nfs/dbraw/zinc/32/95/46/356329546.db2.gz RPDMOBIWDZFTIU-UHFFFAOYSA-N 0 3 224.373 3.074 20 0 BGADHN Cc1ncsc1CN1CCCC2(CCC2)C1 ZINC000352365503 180316151 /nfs/dbraw/zinc/31/61/51/180316151.db2.gz SLDPIWRRHISLGC-UHFFFAOYSA-N 0 3 236.384 3.218 20 0 BGADHN CCn1nccc1CN(C)C[C@H]1CCC[C@H](C)C1 ZINC000352369974 172264991 /nfs/dbraw/zinc/26/49/91/172264991.db2.gz UZTPGSWMCMJSDT-KBPBESRZSA-N 0 3 249.402 3.161 20 0 BGADHN CCn1nccc1CN(C)C[C@H]1CCC[C@@H](C)C1 ZINC000352369975 172265089 /nfs/dbraw/zinc/26/50/89/172265089.db2.gz UZTPGSWMCMJSDT-KGLIPLIRSA-N 0 3 249.402 3.161 20 0 BGADHN CCn1nccc1CN(C)C[C@@H]1CCC[C@H](C)C1 ZINC000352369976 172263206 /nfs/dbraw/zinc/26/32/06/172263206.db2.gz UZTPGSWMCMJSDT-UONOGXRCSA-N 0 3 249.402 3.161 20 0 BGADHN CCn1nccc1CN(C)C[C@@H]1CCC[C@@H](C)C1 ZINC000352369977 172263113 /nfs/dbraw/zinc/26/31/13/172263113.db2.gz UZTPGSWMCMJSDT-ZIAGYGMSSA-N 0 3 249.402 3.161 20 0 BGADHN CCC1CCN(Cc2cccnc2C)CC1 ZINC000352371194 387114862 /nfs/dbraw/zinc/11/48/62/387114862.db2.gz GTOUCYZZCPMOHZ-UHFFFAOYSA-N 0 3 218.344 3.012 20 0 BGADHN CCC1CCN(Cc2ccc(C)cn2)CC1 ZINC000352371414 387116456 /nfs/dbraw/zinc/11/64/56/387116456.db2.gz IVTDKWVGVRFRID-UHFFFAOYSA-N 0 3 218.344 3.012 20 0 BGADHN CCc1ccc(CN(C)CC(C)(C)C)o1 ZINC000352371541 387115538 /nfs/dbraw/zinc/11/55/38/387115538.db2.gz JXHUUISRORRISF-UHFFFAOYSA-N 0 3 209.333 3.320 20 0 BGADHN Cc1cccc2ncc(CN(C)CC(C)(C)C)n21 ZINC000352372262 179231986 /nfs/dbraw/zinc/23/19/86/179231986.db2.gz QBNAEORKJCWJOM-UHFFFAOYSA-N 0 3 245.370 3.121 20 0 BGADHN CCC1CCN(Cc2ccsc2)CC1 ZINC000352372670 387116838 /nfs/dbraw/zinc/11/68/38/387116838.db2.gz VPWISTFLOOPRHY-UHFFFAOYSA-N 0 3 209.358 3.370 20 0 BGADHN Cc1cc(F)cc2c1CN(CCCCF)CC2 ZINC000352376141 178080584 /nfs/dbraw/zinc/08/05/84/178080584.db2.gz KQRCIUUJLGEELK-UHFFFAOYSA-N 0 3 239.309 3.242 20 0 BGADHN CC1CCC(CN2CCO[C@H]3CCC[C@H]32)CC1 ZINC000352376242 168153674 /nfs/dbraw/zinc/15/36/74/168153674.db2.gz MDKZTLUPYUGOQZ-CVSAEHQPSA-N 0 3 237.387 3.066 20 0 BGADHN CC1CCC(CN2CCO[C@@H]3CCC[C@H]32)CC1 ZINC000352376243 168153833 /nfs/dbraw/zinc/15/38/33/168153833.db2.gz MDKZTLUPYUGOQZ-NEXFUWMNSA-N 0 3 237.387 3.066 20 0 BGADHN CC1CCC(CN2CCO[C@@H]3CCC[C@@H]32)CC1 ZINC000352376244 168152944 /nfs/dbraw/zinc/15/29/44/168152944.db2.gz MDKZTLUPYUGOQZ-PFSRBDOWSA-N 0 3 237.387 3.066 20 0 BGADHN CC1CCC(CN2CCO[C@H]3CCC[C@@H]32)CC1 ZINC000352376245 168153949 /nfs/dbraw/zinc/15/39/49/168153949.db2.gz MDKZTLUPYUGOQZ-WUCCLRPBSA-N 0 3 237.387 3.066 20 0 BGADHN Cc1cc(F)cc2c1CN(CC[C@@H](C)F)CC2 ZINC000352376364 178080487 /nfs/dbraw/zinc/08/04/87/178080487.db2.gz OCVBTAQXCSBTFZ-LLVKDONJSA-N 0 3 239.309 3.240 20 0 BGADHN Cc1cc(F)cc2c1CN(CC[C@H](C)F)CC2 ZINC000352376365 178080730 /nfs/dbraw/zinc/08/07/30/178080730.db2.gz OCVBTAQXCSBTFZ-NSHDSACASA-N 0 3 239.309 3.240 20 0 BGADHN CCc1ncc(CN2CCC(CC)CC2)s1 ZINC000352377489 172017457 /nfs/dbraw/zinc/01/74/57/172017457.db2.gz YRIGRSVBBXZVNS-UHFFFAOYSA-N 0 3 238.400 3.328 20 0 BGADHN CCC1CCN(Cc2cnn(C(C)C)c2)CC1 ZINC000352382061 387130565 /nfs/dbraw/zinc/13/05/65/387130565.db2.gz AWDZXSHCSWFXPG-UHFFFAOYSA-N 0 3 235.375 3.086 20 0 BGADHN CCC1CCN(Cc2cccc3c2OCO3)CC1 ZINC000352382265 387129814 /nfs/dbraw/zinc/12/98/14/387129814.db2.gz CJOXAFHEZCLLRQ-UHFFFAOYSA-N 0 3 247.338 3.037 20 0 BGADHN CCC1CCN(Cc2sccc2OC)CC1 ZINC000352382465 387130093 /nfs/dbraw/zinc/13/00/93/387130093.db2.gz FISVCVFEVQAPGH-UHFFFAOYSA-N 0 3 239.384 3.379 20 0 BGADHN CCC1CCN(Cc2ccc(C)o2)CC1 ZINC000352383286 387129562 /nfs/dbraw/zinc/12/95/62/387129562.db2.gz JNLGYWHICVCPIQ-UHFFFAOYSA-N 0 3 207.317 3.210 20 0 BGADHN CCOc1cccc(CN2CCC(CC)CC2)n1 ZINC000352384182 170574008 /nfs/dbraw/zinc/57/40/08/170574008.db2.gz SDZDZFXHGHLOLB-UHFFFAOYSA-N 0 3 248.370 3.102 20 0 BGADHN Cc1cccc(CN2CCO[C@H]3CCC[C@H]32)c1C ZINC000352384193 179078770 /nfs/dbraw/zinc/07/87/70/179078770.db2.gz SFHUNJJMYOYCTO-CVEARBPZSA-N 0 3 245.366 3.057 20 0 BGADHN Cc1cccc(CN2CCO[C@H]3CCC[C@@H]32)c1C ZINC000352384194 179080238 /nfs/dbraw/zinc/08/02/38/179080238.db2.gz SFHUNJJMYOYCTO-HOTGVXAUSA-N 0 3 245.366 3.057 20 0 BGADHN Cc1cccc(CN2CCO[C@@H]3CCC[C@H]32)c1C ZINC000352384195 179079240 /nfs/dbraw/zinc/07/92/40/179079240.db2.gz SFHUNJJMYOYCTO-HZPDHXFCSA-N 0 3 245.366 3.057 20 0 BGADHN Cc1cccc(CN2CCO[C@@H]3CCC[C@@H]32)c1C ZINC000352384196 179078353 /nfs/dbraw/zinc/07/83/53/179078353.db2.gz SFHUNJJMYOYCTO-JKSUJKDBSA-N 0 3 245.366 3.057 20 0 BGADHN CCCC[C@@H](C)N(C)Cc1cccc(C)n1 ZINC000352390629 356335776 /nfs/dbraw/zinc/33/57/76/356335776.db2.gz FPDQNXRBSSKBNL-CYBMUJFWSA-N 0 3 220.360 3.401 20 0 BGADHN CCCC[C@H](C)N(C)Cc1cccc(C)n1 ZINC000352390630 356335700 /nfs/dbraw/zinc/33/57/00/356335700.db2.gz FPDQNXRBSSKBNL-ZDUSSCGKSA-N 0 3 220.360 3.401 20 0 BGADHN CCCC[C@@H](C)N(C)Cc1c(C)nn(C)c1C ZINC000352390831 356335861 /nfs/dbraw/zinc/33/58/61/356335861.db2.gz GWCGCNYSRDNOMK-LLVKDONJSA-N 0 3 237.391 3.047 20 0 BGADHN CCCC[C@H](C)N(C)Cc1c(C)nn(C)c1C ZINC000352390832 356335811 /nfs/dbraw/zinc/33/58/11/356335811.db2.gz GWCGCNYSRDNOMK-NSHDSACASA-N 0 3 237.391 3.047 20 0 BGADHN CCCC[C@@H](C)N(C)Cc1cccc(OC)n1 ZINC000352391683 356335773 /nfs/dbraw/zinc/33/57/73/356335773.db2.gz NMBLIVHXLKXKIQ-GFCCVEGCSA-N 0 3 236.359 3.101 20 0 BGADHN CCCC[C@H](C)N(C)Cc1cccc(OC)n1 ZINC000352391684 356335517 /nfs/dbraw/zinc/33/55/17/356335517.db2.gz NMBLIVHXLKXKIQ-LBPRGKRZSA-N 0 3 236.359 3.101 20 0 BGADHN CCCC[C@H](C)N(C)Cc1c(C)noc1C ZINC000352392274 356336444 /nfs/dbraw/zinc/33/64/44/356336444.db2.gz SMYQESVBTPKZNG-JTQLQIEISA-N 0 3 224.348 3.302 20 0 BGADHN CCCC[C@@H](C)N(C)Cc1c(C)noc1C ZINC000352392275 356336971 /nfs/dbraw/zinc/33/69/71/356336971.db2.gz SMYQESVBTPKZNG-SNVBAGLBSA-N 0 3 224.348 3.302 20 0 BGADHN CCCC[C@@H](C)N(C)Cc1ccc(C)cn1 ZINC000352397475 356336829 /nfs/dbraw/zinc/33/68/29/356336829.db2.gz KLIPAMHKDYOOMZ-CYBMUJFWSA-N 0 3 220.360 3.401 20 0 BGADHN CCCC[C@H](C)N(C)Cc1ccc(C)cn1 ZINC000352397476 356336796 /nfs/dbraw/zinc/33/67/96/356336796.db2.gz KLIPAMHKDYOOMZ-ZDUSSCGKSA-N 0 3 220.360 3.401 20 0 BGADHN CCCC[C@@H](C)N(C)Cc1ccc(OC)nc1 ZINC000352397709 356336513 /nfs/dbraw/zinc/33/65/13/356336513.db2.gz LAAOQRJWQULTKI-GFCCVEGCSA-N 0 3 236.359 3.101 20 0 BGADHN CCCC[C@H](C)N(C)Cc1ccc(OC)nc1 ZINC000352397710 356336432 /nfs/dbraw/zinc/33/64/32/356336432.db2.gz LAAOQRJWQULTKI-LBPRGKRZSA-N 0 3 236.359 3.101 20 0 BGADHN CCCC[C@@H](C)N(C)Cc1ccnn1C(C)C ZINC000352399094 356337599 /nfs/dbraw/zinc/33/75/99/356337599.db2.gz RGPGIPRIQPFACC-CYBMUJFWSA-N 0 3 237.391 3.475 20 0 BGADHN CCCC[C@H](C)N(C)Cc1ccnn1C(C)C ZINC000352399095 356337416 /nfs/dbraw/zinc/33/74/16/356337416.db2.gz RGPGIPRIQPFACC-ZDUSSCGKSA-N 0 3 237.391 3.475 20 0 BGADHN Cc1ccc2c(c1)CCN(CCCCF)C2 ZINC000352402732 387148185 /nfs/dbraw/zinc/14/81/85/387148185.db2.gz PCYNNWVOZOMVCT-UHFFFAOYSA-N 0 3 221.319 3.103 20 0 BGADHN Cc1ccc2c(c1)CCN(CC[C@@H](C)F)C2 ZINC000352403865 387147688 /nfs/dbraw/zinc/14/76/88/387147688.db2.gz YWVBLWLLYMPWRZ-GFCCVEGCSA-N 0 3 221.319 3.101 20 0 BGADHN Cc1ccc2c(c1)CCN(CC[C@H](C)F)C2 ZINC000352403866 188055004 /nfs/dbraw/zinc/05/50/04/188055004.db2.gz YWVBLWLLYMPWRZ-LBPRGKRZSA-N 0 3 221.319 3.101 20 0 BGADHN CCOC1CC(CN2Cc3ccc(C)cc3C2)C1 ZINC000352406215 170324678 /nfs/dbraw/zinc/32/46/78/170324678.db2.gz LWWFNFYJHPELNP-UHFFFAOYSA-N 0 3 245.366 3.126 20 0 BGADHN CCC(C)(C)c1ccc(CN(C)CCCO)cc1 ZINC000352407356 168306120 /nfs/dbraw/zinc/30/61/20/168306120.db2.gz QFJGFMCVEWRKOA-UHFFFAOYSA-N 0 3 249.398 3.188 20 0 BGADHN C[C@@H](F)CCN1CC2(CCCC2)OC(C)(C)C1 ZINC000352407571 387165934 /nfs/dbraw/zinc/16/59/34/387165934.db2.gz QNOHNFLRDYARGM-GFCCVEGCSA-N 0 3 243.366 3.158 20 0 BGADHN C[C@H](F)CCN1CC2(CCCC2)OC(C)(C)C1 ZINC000352407572 387165631 /nfs/dbraw/zinc/16/56/31/387165631.db2.gz QNOHNFLRDYARGM-LBPRGKRZSA-N 0 3 243.366 3.158 20 0 BGADHN Cc1ccc2c(c1)CN(CCCCF)C2 ZINC000352407789 187367601 /nfs/dbraw/zinc/36/76/01/187367601.db2.gz RSWWTBKFSVXDAH-UHFFFAOYSA-N 0 3 207.292 3.060 20 0 BGADHN CCCC[C@@H](C)N(C)Cc1ccnc(OC)c1 ZINC000352410136 356340553 /nfs/dbraw/zinc/34/05/53/356340553.db2.gz OQJSSWHBMATPEW-GFCCVEGCSA-N 0 3 236.359 3.101 20 0 BGADHN CCCC[C@H](C)N(C)Cc1ccnc(OC)c1 ZINC000352410137 356340665 /nfs/dbraw/zinc/34/06/65/356340665.db2.gz OQJSSWHBMATPEW-LBPRGKRZSA-N 0 3 236.359 3.101 20 0 BGADHN CCCC[C@@H](C)N(C)Cc1cccnc1C ZINC000352410892 356341694 /nfs/dbraw/zinc/34/16/94/356341694.db2.gz UCDZFLHQTSEZOD-GFCCVEGCSA-N 0 3 220.360 3.401 20 0 BGADHN CCCC[C@H](C)N(C)Cc1cccnc1C ZINC000352410893 356341576 /nfs/dbraw/zinc/34/15/76/356341576.db2.gz UCDZFLHQTSEZOD-LBPRGKRZSA-N 0 3 220.360 3.401 20 0 BGADHN C[C@H](F)CCN1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000352412605 387167765 /nfs/dbraw/zinc/16/77/65/387167765.db2.gz HEJATAFXYNLKLA-CIUDSAMLSA-N 0 3 227.245 3.007 20 0 BGADHN C[C@H](F)CCN1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000352412606 387168335 /nfs/dbraw/zinc/16/83/35/387168335.db2.gz HEJATAFXYNLKLA-DJLDLDEBSA-N 0 3 227.245 3.007 20 0 BGADHN C[C@H](F)CCN1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000352412607 387168931 /nfs/dbraw/zinc/16/89/31/387168931.db2.gz HEJATAFXYNLKLA-XHNCKOQMSA-N 0 3 227.245 3.007 20 0 BGADHN C[C@H](F)CCN1CC[C@H](C(F)(F)F)[C@H]1C ZINC000352412608 387169140 /nfs/dbraw/zinc/16/91/40/387169140.db2.gz HEJATAFXYNLKLA-YIZRAAEISA-N 0 3 227.245 3.007 20 0 BGADHN CCCC[C@@H](C)N(C)Cc1cccnc1OC ZINC000352416192 356342945 /nfs/dbraw/zinc/34/29/45/356342945.db2.gz RWYONNQGFWIQLF-GFCCVEGCSA-N 0 3 236.359 3.101 20 0 BGADHN CCCC[C@H](C)N(C)Cc1cccnc1OC ZINC000352416193 356342311 /nfs/dbraw/zinc/34/23/11/356342311.db2.gz RWYONNQGFWIQLF-LBPRGKRZSA-N 0 3 236.359 3.101 20 0 BGADHN Cc1ncc(CN2CCC[C@H](C(C)(C)C)C2)cn1 ZINC000352421847 180144581 /nfs/dbraw/zinc/14/45/81/180144581.db2.gz OBTWSNMTALVBNT-AWEZNQCLSA-N 0 3 247.386 3.043 20 0 BGADHN Cc1ncc(CN2CCC[C@@H](C(C)(C)C)C2)cn1 ZINC000352421848 180143262 /nfs/dbraw/zinc/14/32/62/180143262.db2.gz OBTWSNMTALVBNT-CQSZACIVSA-N 0 3 247.386 3.043 20 0 BGADHN Cc1cc(CN(C)CC[C@@H](C)F)ccc1F ZINC000352422241 387186443 /nfs/dbraw/zinc/18/64/43/387186443.db2.gz QIUBVXZFNYLPNM-LLVKDONJSA-N 0 3 227.298 3.314 20 0 BGADHN Cc1cc(CN(C)CC[C@H](C)F)ccc1F ZINC000352422242 387187365 /nfs/dbraw/zinc/18/73/65/387187365.db2.gz QIUBVXZFNYLPNM-NSHDSACASA-N 0 3 227.298 3.314 20 0 BGADHN C[C@@H]1[C@@H](C(F)(F)F)CCN1CCCCF ZINC000352422396 387187695 /nfs/dbraw/zinc/18/76/95/387187695.db2.gz QZWKJYTZYAXSSB-BDAKNGLRSA-N 0 3 227.245 3.009 20 0 BGADHN C[C@H]1[C@H](C(F)(F)F)CCN1CCCCF ZINC000352422397 387187022 /nfs/dbraw/zinc/18/70/22/387187022.db2.gz QZWKJYTZYAXSSB-DTWKUNHWSA-N 0 3 227.245 3.009 20 0 BGADHN C[C@H]1[C@@H](C(F)(F)F)CCN1CCCCF ZINC000352422398 387186657 /nfs/dbraw/zinc/18/66/57/387186657.db2.gz QZWKJYTZYAXSSB-IUCAKERBSA-N 0 3 227.245 3.009 20 0 BGADHN C[C@@H]1[C@H](C(F)(F)F)CCN1CCCCF ZINC000352422399 387187857 /nfs/dbraw/zinc/18/78/57/387187857.db2.gz QZWKJYTZYAXSSB-RKDXNWHRSA-N 0 3 227.245 3.009 20 0 BGADHN Cc1ccc(F)c(CN(C)CCCCF)c1 ZINC000352422727 387187351 /nfs/dbraw/zinc/18/73/51/387187351.db2.gz UPHCDPCQWPHHBA-UHFFFAOYSA-N 0 3 227.298 3.316 20 0 BGADHN CN(CCCCF)Cc1cc(F)cc(F)c1 ZINC000352422778 387190147 /nfs/dbraw/zinc/19/01/47/387190147.db2.gz VBATXFFJPDPBBU-UHFFFAOYSA-N 0 3 231.261 3.146 20 0 BGADHN C1=C[C@H](N2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)CCC1 ZINC000352423044 387190028 /nfs/dbraw/zinc/19/00/28/387190028.db2.gz MHUKKZSSRCBFFX-KKUMJFAQSA-N 0 3 247.382 3.129 20 0 BGADHN C1=C[C@H](N2CC3(CCC3)[C@H]2[C@H]2CCCO2)CCC1 ZINC000352423045 387188645 /nfs/dbraw/zinc/18/86/45/387188645.db2.gz MHUKKZSSRCBFFX-RRFJBIMHSA-N 0 3 247.382 3.129 20 0 BGADHN C1=C[C@H](N2CC3(CCC3)[C@H]2[C@@H]2CCCO2)CCC1 ZINC000352423046 188055493 /nfs/dbraw/zinc/05/54/93/188055493.db2.gz MHUKKZSSRCBFFX-SOUVJXGZSA-N 0 3 247.382 3.129 20 0 BGADHN C1=C[C@H](N2CC3(CCC3)[C@@H]2[C@H]2CCCO2)CCC1 ZINC000352423047 387189349 /nfs/dbraw/zinc/18/93/49/387189349.db2.gz MHUKKZSSRCBFFX-ZNMIVQPWSA-N 0 3 247.382 3.129 20 0 BGADHN Cc1cc(F)ccc1CN(C)CC[C@@H](C)F ZINC000352423363 178085518 /nfs/dbraw/zinc/08/55/18/178085518.db2.gz XEIUGZRVCWMOKQ-LLVKDONJSA-N 0 3 227.298 3.314 20 0 BGADHN Cc1cc(F)ccc1CN(C)CC[C@H](C)F ZINC000352423364 178086315 /nfs/dbraw/zinc/08/63/15/178086315.db2.gz XEIUGZRVCWMOKQ-NSHDSACASA-N 0 3 227.298 3.314 20 0 BGADHN C[C@@H](F)CCN(C)Cc1cc(F)cc(F)c1 ZINC000352423692 387190042 /nfs/dbraw/zinc/19/00/42/387190042.db2.gz YZSQATVIUOIJDR-SECBINFHSA-N 0 3 231.261 3.145 20 0 BGADHN C[C@H](F)CCN(C)Cc1cc(F)cc(F)c1 ZINC000352423693 387189631 /nfs/dbraw/zinc/18/96/31/387189631.db2.gz YZSQATVIUOIJDR-VIFPVBQESA-N 0 3 231.261 3.145 20 0 BGADHN CC/C=C\CCN1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000352432720 387192917 /nfs/dbraw/zinc/19/29/17/387192917.db2.gz RVNMERZXAXLNHF-CGXNLCPXSA-N 0 3 249.398 3.376 20 0 BGADHN CC/C=C\CCN1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000352432721 387192642 /nfs/dbraw/zinc/19/26/42/387192642.db2.gz RVNMERZXAXLNHF-OVNWPICBSA-N 0 3 249.398 3.376 20 0 BGADHN CC/C=C/CCN1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000352432722 387192669 /nfs/dbraw/zinc/19/26/69/387192669.db2.gz RVNMERZXAXLNHF-RYIMYRPNSA-N 0 3 249.398 3.376 20 0 BGADHN CC/C=C/CCN1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000352432723 387193210 /nfs/dbraw/zinc/19/32/10/387193210.db2.gz RVNMERZXAXLNHF-WCYDHSITSA-N 0 3 249.398 3.376 20 0 BGADHN CC[C@@H](C)N1Cc2ccc(OC)cc2C2(CC2)C1 ZINC000352438727 387202944 /nfs/dbraw/zinc/20/29/44/387202944.db2.gz IQECCJICIVRZMH-GFCCVEGCSA-N 0 3 245.366 3.341 20 0 BGADHN CC[C@H](C)N1Cc2ccc(OC)cc2C2(CC2)C1 ZINC000352438728 171320263 /nfs/dbraw/zinc/32/02/63/171320263.db2.gz IQECCJICIVRZMH-LBPRGKRZSA-N 0 3 245.366 3.341 20 0 BGADHN COc1ccc2c(c1)C1(CC1)CN(CC(C)C)C2 ZINC000352441393 175207132 /nfs/dbraw/zinc/20/71/32/175207132.db2.gz WYAXMVHSIBWVFQ-UHFFFAOYSA-N 0 3 245.366 3.198 20 0 BGADHN CCCCN1Cc2ccc(OC)cc2C2(CC2)C1 ZINC000352441610 387210590 /nfs/dbraw/zinc/21/05/90/387210590.db2.gz ZWEHYJZFVMTNBP-UHFFFAOYSA-N 0 3 245.366 3.343 20 0 BGADHN CC(C)COCCN1CCC=C(c2ccco2)C1 ZINC000352543799 387307352 /nfs/dbraw/zinc/30/73/52/387307352.db2.gz JXDMXCBUWWDUQF-UHFFFAOYSA-N 0 3 249.354 3.041 20 0 BGADHN c1coc(C2=CCCN([C@H]3C=CCCC3)C2)c1 ZINC000352550205 387309160 /nfs/dbraw/zinc/30/91/60/387309160.db2.gz LEYZZPXQKGGIBF-AWEZNQCLSA-N 0 3 229.323 3.477 20 0 BGADHN c1coc(C2=CCCN([C@@H]3C=CCCC3)C2)c1 ZINC000352550206 387309302 /nfs/dbraw/zinc/30/93/02/387309302.db2.gz LEYZZPXQKGGIBF-CQSZACIVSA-N 0 3 229.323 3.477 20 0 BGADHN CC(C)=CCN1CCC=C(c2ccco2)C1 ZINC000352551683 187368400 /nfs/dbraw/zinc/36/84/00/187368400.db2.gz ZYKRHVSRLWOAGP-UHFFFAOYSA-N 0 3 217.312 3.335 20 0 BGADHN CCCCOCCN1CCC=C(c2ccco2)C1 ZINC000352570944 187369745 /nfs/dbraw/zinc/36/97/45/187369745.db2.gz OABJALIRQSDHSJ-UHFFFAOYSA-N 0 3 249.354 3.185 20 0 BGADHN Cc1ccc(F)cc1CN1CCC12CCC2 ZINC000352611323 490096215 /nfs/dbraw/zinc/09/62/15/490096215.db2.gz GNLKZCIXZQNUJG-UHFFFAOYSA-N 0 3 219.303 3.263 20 0 BGADHN CC[C@@]1(C)CCN(Cc2cccc(O)c2OC)C1 ZINC000352613795 171200979 /nfs/dbraw/zinc/20/09/79/171200979.db2.gz YRXITELGZRHPKC-HNNXBMFYSA-N 0 3 249.354 3.023 20 0 BGADHN CC[C@]1(C)CCN(Cc2cccc(O)c2OC)C1 ZINC000352613796 387366149 /nfs/dbraw/zinc/36/61/49/387366149.db2.gz YRXITELGZRHPKC-OAHLLOKOSA-N 0 3 249.354 3.023 20 0 BGADHN COc1c(O)cccc1CN(C(C)C)C1CCC1 ZINC000352617373 387384136 /nfs/dbraw/zinc/38/41/36/387384136.db2.gz BPMCVRVBWWIBJT-UHFFFAOYSA-N 0 3 249.354 3.164 20 0 BGADHN Cc1ccc(F)cc1CN1CC=C(C)CC1 ZINC000352618126 168114777 /nfs/dbraw/zinc/11/47/77/168114777.db2.gz MIOBXEUSUXRILK-UHFFFAOYSA-N 0 3 219.303 3.286 20 0 BGADHN COc1c(O)cccc1CN1CCCCC[C@H]1C ZINC000352618668 387384246 /nfs/dbraw/zinc/38/42/46/387384246.db2.gz SHTZGLIHCBWGGJ-GFCCVEGCSA-N 0 3 249.354 3.165 20 0 BGADHN COc1c(O)cccc1CN1CCCCC[C@@H]1C ZINC000352618669 387384192 /nfs/dbraw/zinc/38/41/92/387384192.db2.gz SHTZGLIHCBWGGJ-LBPRGKRZSA-N 0 3 249.354 3.165 20 0 BGADHN CC[C@@H]1CCCN1Cc1cc(OC)cc(OC)c1 ZINC000352641651 387403298 /nfs/dbraw/zinc/40/32/98/387403298.db2.gz CZUPSPSGKAVBBN-CYBMUJFWSA-N 0 3 249.354 3.078 20 0 BGADHN CC[C@H]1CCCN1Cc1cc(OC)cc(OC)c1 ZINC000352641653 387403236 /nfs/dbraw/zinc/40/32/36/387403236.db2.gz CZUPSPSGKAVBBN-ZDUSSCGKSA-N 0 3 249.354 3.078 20 0 BGADHN CC[C@@H]1CCCN1Cc1cnc2cc(C)ccn12 ZINC000352646781 387406250 /nfs/dbraw/zinc/40/62/50/387406250.db2.gz XGDFJLZQBJWNOS-CYBMUJFWSA-N 0 3 243.354 3.017 20 0 BGADHN CC[C@H]1CCCN1Cc1cnc2cc(C)ccn12 ZINC000352646782 387405202 /nfs/dbraw/zinc/40/52/02/387405202.db2.gz XGDFJLZQBJWNOS-ZDUSSCGKSA-N 0 3 243.354 3.017 20 0 BGADHN CC[C@@H]1CCCN1Cc1cnc2cccc(C)n12 ZINC000352648019 356394898 /nfs/dbraw/zinc/39/48/98/356394898.db2.gz CLNWOASWPQBPCW-CYBMUJFWSA-N 0 3 243.354 3.017 20 0 BGADHN CC[C@H]1CCCN1Cc1cnc2cccc(C)n12 ZINC000352648020 387406039 /nfs/dbraw/zinc/40/60/39/387406039.db2.gz CLNWOASWPQBPCW-ZDUSSCGKSA-N 0 3 243.354 3.017 20 0 BGADHN CN(Cc1ccoc1)C[C@@H]1CC=CCC1 ZINC000352648768 387406119 /nfs/dbraw/zinc/40/61/19/387406119.db2.gz HEUHYCPCGJEBPS-GFCCVEGCSA-N 0 3 205.301 3.068 20 0 BGADHN CN(Cc1ccoc1)C[C@H]1CC=CCC1 ZINC000352648769 387404855 /nfs/dbraw/zinc/40/48/55/387404855.db2.gz HEUHYCPCGJEBPS-LBPRGKRZSA-N 0 3 205.301 3.068 20 0 BGADHN CCc1ccc(CN(CC)C[C@@H]2CCCO2)cc1 ZINC000352648800 387404640 /nfs/dbraw/zinc/40/46/40/387404640.db2.gz HRUHOMRNLYZVRF-INIZCTEOSA-N 0 3 247.382 3.250 20 0 BGADHN CCc1ccc(CN(CC)C[C@H]2CCCO2)cc1 ZINC000352648802 387404623 /nfs/dbraw/zinc/40/46/23/387404623.db2.gz HRUHOMRNLYZVRF-MRXNPFEDSA-N 0 3 247.382 3.250 20 0 BGADHN CN(CCc1ccccc1F)Cc1ccoc1 ZINC000352649560 387405785 /nfs/dbraw/zinc/40/57/85/387405785.db2.gz LKYJEZDHUMBXQN-UHFFFAOYSA-N 0 3 233.286 3.093 20 0 BGADHN CC[C@@H]1CCCN1Cc1cccc(OC)c1OC ZINC000352649711 356394790 /nfs/dbraw/zinc/39/47/90/356394790.db2.gz NPDIEZAXTIMWJP-CYBMUJFWSA-N 0 3 249.354 3.078 20 0 BGADHN CC[C@H]1CCCN1Cc1cccc(OC)c1OC ZINC000352649712 387406069 /nfs/dbraw/zinc/40/60/69/387406069.db2.gz NPDIEZAXTIMWJP-ZDUSSCGKSA-N 0 3 249.354 3.078 20 0 BGADHN CC[C@@H]1CCCN1Cc1ccc(OC)cc1OC ZINC000352651312 356395502 /nfs/dbraw/zinc/39/55/02/356395502.db2.gz GTMDNEVTFBFVBY-CYBMUJFWSA-N 0 3 249.354 3.078 20 0 BGADHN CC[C@H]1CCCN1Cc1ccc(OC)cc1OC ZINC000352651313 387413230 /nfs/dbraw/zinc/41/32/30/387413230.db2.gz GTMDNEVTFBFVBY-ZDUSSCGKSA-N 0 3 249.354 3.078 20 0 BGADHN CCN(Cc1ccc(C)cc1C)C[C@@H]1CCCO1 ZINC000352652176 356395341 /nfs/dbraw/zinc/39/53/41/356395341.db2.gz MBQBHUNDDOGXSK-INIZCTEOSA-N 0 3 247.382 3.304 20 0 BGADHN CCN(Cc1ccc(C)cc1C)C[C@H]1CCCO1 ZINC000352652177 356395652 /nfs/dbraw/zinc/39/56/52/356395652.db2.gz MBQBHUNDDOGXSK-MRXNPFEDSA-N 0 3 247.382 3.304 20 0 BGADHN CCc1ncc(CN2CCC[C@@H]2CC)s1 ZINC000352652663 172016740 /nfs/dbraw/zinc/01/67/40/172016740.db2.gz PYXOTDFIOAPQML-JTQLQIEISA-N 0 3 224.373 3.080 20 0 BGADHN CCc1ncc(CN2CCC[C@H]2CC)s1 ZINC000352652664 172016784 /nfs/dbraw/zinc/01/67/84/172016784.db2.gz PYXOTDFIOAPQML-SNVBAGLBSA-N 0 3 224.373 3.080 20 0 BGADHN CC[C@@H]1CCCN1Cc1cc(F)cc(F)c1 ZINC000352652856 356395583 /nfs/dbraw/zinc/39/55/83/356395583.db2.gz RRGTUICIHSZPNV-CYBMUJFWSA-N 0 3 225.282 3.339 20 0 BGADHN CC[C@H]1CCCN1Cc1cc(F)cc(F)c1 ZINC000352652857 387414510 /nfs/dbraw/zinc/41/45/10/387414510.db2.gz RRGTUICIHSZPNV-ZDUSSCGKSA-N 0 3 225.282 3.339 20 0 BGADHN CC[C@@H]1CCCN1Cc1ccc(Cl)o1 ZINC000352653234 356395222 /nfs/dbraw/zinc/39/52/22/356395222.db2.gz VGVVEFFJSXBLME-SECBINFHSA-N 0 3 213.708 3.307 20 0 BGADHN CC[C@H]1CCCN1Cc1ccc(Cl)o1 ZINC000352653235 387415922 /nfs/dbraw/zinc/41/59/22/387415922.db2.gz VGVVEFFJSXBLME-VIFPVBQESA-N 0 3 213.708 3.307 20 0 BGADHN CC[C@@H]1CCCN1Cc1ccc(F)cc1F ZINC000352653451 356395601 /nfs/dbraw/zinc/39/56/01/356395601.db2.gz WVLAAGQPKZONJD-GFCCVEGCSA-N 0 3 225.282 3.339 20 0 BGADHN CC[C@H]1CCCN1Cc1ccc(F)cc1F ZINC000352653452 387417256 /nfs/dbraw/zinc/41/72/56/387417256.db2.gz WVLAAGQPKZONJD-LBPRGKRZSA-N 0 3 225.282 3.339 20 0 BGADHN CC[C@@H]1CCCN1Cc1cnc2c(C)cccn12 ZINC000352653638 356396720 /nfs/dbraw/zinc/39/67/20/356396720.db2.gz YLQCRAYBBFRPJV-CYBMUJFWSA-N 0 3 243.354 3.017 20 0 BGADHN CC[C@H]1CCCN1Cc1cnc2c(C)cccn12 ZINC000352653639 387417411 /nfs/dbraw/zinc/41/74/11/387417411.db2.gz YLQCRAYBBFRPJV-ZDUSSCGKSA-N 0 3 243.354 3.017 20 0 BGADHN CN(Cc1ccoc1)Cc1cccc2[nH]ccc21 ZINC000352653734 387404019 /nfs/dbraw/zinc/40/40/19/387404019.db2.gz DRKBOWZFFCNKEC-UHFFFAOYSA-N 0 3 240.306 3.393 20 0 BGADHN CC[C@@H]1CCCN1Cc1cnc2ccc(C)cn12 ZINC000352654319 356396233 /nfs/dbraw/zinc/39/62/33/356396233.db2.gz KBYNUZQHJUZFJM-CYBMUJFWSA-N 0 3 243.354 3.017 20 0 BGADHN CC[C@H]1CCCN1Cc1cnc2ccc(C)cn12 ZINC000352654320 387416364 /nfs/dbraw/zinc/41/63/64/387416364.db2.gz KBYNUZQHJUZFJM-ZDUSSCGKSA-N 0 3 243.354 3.017 20 0 BGADHN CC[C@@H]1CCCN1Cc1cnn(C(C)(C)C)c1 ZINC000352656080 356396390 /nfs/dbraw/zinc/39/63/90/356396390.db2.gz XWQNYMBHFWJRAW-CYBMUJFWSA-N 0 3 235.375 3.013 20 0 BGADHN CC[C@H]1CCCN1Cc1cnn(C(C)(C)C)c1 ZINC000352656082 387420690 /nfs/dbraw/zinc/42/06/90/387420690.db2.gz XWQNYMBHFWJRAW-ZDUSSCGKSA-N 0 3 235.375 3.013 20 0 BGADHN CCN(Cc1ccc(C)c(C)c1)C[C@@H]1CCCO1 ZINC000352656162 356396560 /nfs/dbraw/zinc/39/65/60/356396560.db2.gz YYIDOKHXFUNJIS-INIZCTEOSA-N 0 3 247.382 3.304 20 0 BGADHN CCN(Cc1ccc(C)c(C)c1)C[C@H]1CCCO1 ZINC000352656163 356396777 /nfs/dbraw/zinc/39/67/77/356396777.db2.gz YYIDOKHXFUNJIS-MRXNPFEDSA-N 0 3 247.382 3.304 20 0 BGADHN Cc1ccoc1CN(C)CCc1ccccc1F ZINC000352657274 387422802 /nfs/dbraw/zinc/42/28/02/387422802.db2.gz FWUKFNXPDPUHBL-UHFFFAOYSA-N 0 3 247.313 3.402 20 0 BGADHN CCN(Cc1cccc(C)c1C)C[C@@H]1CCCO1 ZINC000352661855 356398686 /nfs/dbraw/zinc/39/86/86/356398686.db2.gz ZCUXUSSGSBCEKF-INIZCTEOSA-N 0 3 247.382 3.304 20 0 BGADHN CCN(Cc1cccc(C)c1C)C[C@H]1CCCO1 ZINC000352661856 356398806 /nfs/dbraw/zinc/39/88/06/356398806.db2.gz ZCUXUSSGSBCEKF-MRXNPFEDSA-N 0 3 247.382 3.304 20 0 BGADHN Cc1ccc(CN(C)C2Cc3ccccc3C2)o1 ZINC000352672655 387432920 /nfs/dbraw/zinc/43/29/20/387432920.db2.gz VSBYBZWCFMAVCE-UHFFFAOYSA-N 0 3 241.334 3.187 20 0 BGADHN CCN(CCc1ccccn1)Cc1occc1C ZINC000352674316 387433156 /nfs/dbraw/zinc/43/31/56/387433156.db2.gz PQVQJZDGRQPCQX-UHFFFAOYSA-N 0 3 244.338 3.048 20 0 BGADHN Cc1ccoc1CN(C)C1Cc2ccccc2C1 ZINC000352681251 387435558 /nfs/dbraw/zinc/43/55/58/387435558.db2.gz LKVFVRVGDVGQPX-UHFFFAOYSA-N 0 3 241.334 3.187 20 0 BGADHN Cc1ccc(CN(C)C[C@@H]2CCCCO2)cc1C ZINC000352682407 387435122 /nfs/dbraw/zinc/43/51/22/387435122.db2.gz PJEKASACYWCUSX-INIZCTEOSA-N 0 3 247.382 3.304 20 0 BGADHN Cc1ccc(CN(C)C[C@H]2CCCCO2)cc1C ZINC000352682408 387434019 /nfs/dbraw/zinc/43/40/19/387434019.db2.gz PJEKASACYWCUSX-MRXNPFEDSA-N 0 3 247.382 3.304 20 0 BGADHN COc1c(O)cccc1CN1CCC(C)(C)CC1 ZINC000352693516 387440471 /nfs/dbraw/zinc/44/04/71/387440471.db2.gz RYSGTPBQHSNCFR-UHFFFAOYSA-N 0 3 249.354 3.023 20 0 BGADHN CCc1ccc(CN[C@H]2CC23CCCC3)cn1 ZINC000352710691 387455420 /nfs/dbraw/zinc/45/54/20/387455420.db2.gz KJONPDCVUAMNPA-AWEZNQCLSA-N 0 3 230.355 3.066 20 0 BGADHN CCc1ccc(CN[C@@H]2CC23CCCC3)cn1 ZINC000352710692 387454553 /nfs/dbraw/zinc/45/45/53/387454553.db2.gz KJONPDCVUAMNPA-CQSZACIVSA-N 0 3 230.355 3.066 20 0 BGADHN COc1cccc(OC)c1CNCCC=C(C)C ZINC000352713958 175282036 /nfs/dbraw/zinc/28/20/36/175282036.db2.gz VDTMSOWTLUDPOH-UHFFFAOYSA-N 0 3 249.354 3.150 20 0 BGADHN C[C@@H]1CCN(Cc2ccccc2OCC2CC2)C1 ZINC000352735670 176176350 /nfs/dbraw/zinc/17/63/50/176176350.db2.gz INLVVBZXTIPRPB-CYBMUJFWSA-N 0 3 245.366 3.317 20 0 BGADHN C[C@H]1CCN(Cc2ccccc2OCC2CC2)C1 ZINC000352735671 177164684 /nfs/dbraw/zinc/16/46/84/177164684.db2.gz INLVVBZXTIPRPB-ZDUSSCGKSA-N 0 3 245.366 3.317 20 0 BGADHN COc1ccccc1/C=C\CN1CC[C@@H](C)C1 ZINC000352736126 175315289 /nfs/dbraw/zinc/31/52/89/175315289.db2.gz FMUTXMIVAPKZCL-SCXUMTSISA-N 0 3 231.339 3.050 20 0 BGADHN COc1ccccc1/C=C\CN1CC[C@H](C)C1 ZINC000352736130 175315513 /nfs/dbraw/zinc/31/55/13/175315513.db2.gz FMUTXMIVAPKZCL-VGVVRCBHSA-N 0 3 231.339 3.050 20 0 BGADHN Cc1ccc(F)cc1CN1CCC(C)CC1 ZINC000352739090 387465002 /nfs/dbraw/zinc/46/50/02/387465002.db2.gz KPSGKSGOHVUCAL-UHFFFAOYSA-N 0 3 221.319 3.366 20 0 BGADHN CCc1ccc(CN[C@H](C)CC(F)(F)F)cn1 ZINC000352740414 387466260 /nfs/dbraw/zinc/46/62/60/387466260.db2.gz WYILLTNLYLIGRN-SECBINFHSA-N 0 3 246.276 3.075 20 0 BGADHN CCc1ccc(CN[C@@H](C)CC(F)(F)F)cn1 ZINC000352740415 387467907 /nfs/dbraw/zinc/46/79/07/387467907.db2.gz WYILLTNLYLIGRN-VIFPVBQESA-N 0 3 246.276 3.075 20 0 BGADHN C[C@H]1C[C@@H]1c1ccc(CN2CC[C@@H](C)C2)o1 ZINC000352741521 177351181 /nfs/dbraw/zinc/35/11/81/177351181.db2.gz HDEQTYGTSJWJFP-MDZLAQPJSA-N 0 3 219.328 3.245 20 0 BGADHN C[C@@H]1C[C@H]1c1ccc(CN2CC[C@@H](C)C2)o1 ZINC000352741522 176176637 /nfs/dbraw/zinc/17/66/37/176176637.db2.gz HDEQTYGTSJWJFP-NQBHXWOUSA-N 0 3 219.328 3.245 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CN2CC[C@@H](C)C2)o1 ZINC000352741523 176176043 /nfs/dbraw/zinc/17/60/43/176176043.db2.gz HDEQTYGTSJWJFP-WZRBSPASSA-N 0 3 219.328 3.245 20 0 BGADHN COc1ccc(CN2CC[C@H](C)C2)c(Cl)c1 ZINC000352741726 387467942 /nfs/dbraw/zinc/46/79/42/387467942.db2.gz IFLSOHVKHHWTHR-JTQLQIEISA-N 0 3 239.746 3.190 20 0 BGADHN COc1ccc(CN2CC[C@@H](C)C2)c(Cl)c1 ZINC000352741727 175101197 /nfs/dbraw/zinc/10/11/97/175101197.db2.gz IFLSOHVKHHWTHR-SNVBAGLBSA-N 0 3 239.746 3.190 20 0 BGADHN C[C@@H]1CCN(Cc2cccc3c2OC(C)(C)C3)C1 ZINC000352742088 176175212 /nfs/dbraw/zinc/17/52/12/176175212.db2.gz LRHHCCJCKQKNQU-GFCCVEGCSA-N 0 3 245.366 3.242 20 0 BGADHN C[C@H]1CCN(Cc2cccc3c2OC(C)(C)C3)C1 ZINC000352742089 177165129 /nfs/dbraw/zinc/16/51/29/177165129.db2.gz LRHHCCJCKQKNQU-LBPRGKRZSA-N 0 3 245.366 3.242 20 0 BGADHN CC(C)CCn1cccc1CN1CC[C@H](C)C1 ZINC000352743675 356410118 /nfs/dbraw/zinc/41/01/18/356410118.db2.gz WMLBYDVCNXLMPG-AWEZNQCLSA-N 0 3 234.387 3.376 20 0 BGADHN CC(C)CCn1cccc1CN1CC[C@@H](C)C1 ZINC000352743676 356410122 /nfs/dbraw/zinc/41/01/22/356410122.db2.gz WMLBYDVCNXLMPG-CQSZACIVSA-N 0 3 234.387 3.376 20 0 BGADHN Cc1ccc(F)cc1CN1CCC[C@@H](C)C1 ZINC000352744709 387470076 /nfs/dbraw/zinc/47/00/76/387470076.db2.gz QAZCUAYZIPMHSZ-LLVKDONJSA-N 0 3 221.319 3.366 20 0 BGADHN Cc1ccc(F)cc1CN1CCC[C@H](C)C1 ZINC000352744710 387470004 /nfs/dbraw/zinc/47/00/04/387470004.db2.gz QAZCUAYZIPMHSZ-NSHDSACASA-N 0 3 221.319 3.366 20 0 BGADHN FC(F)(F)CCNCc1ccc2occc2c1 ZINC000352751012 387471503 /nfs/dbraw/zinc/47/15/03/387471503.db2.gz SKWHZLLTRFOYGG-UHFFFAOYSA-N 0 3 243.228 3.475 20 0 BGADHN Cn1cccc1CNCc1ccc2occc2c1 ZINC000352752078 387471157 /nfs/dbraw/zinc/47/11/57/387471157.db2.gz XGRVIHQLRONKLV-UHFFFAOYSA-N 0 3 240.306 3.061 20 0 BGADHN CN(Cc1cn2ccsc2n1)C1CCCCC1 ZINC000352757505 387474013 /nfs/dbraw/zinc/47/40/13/387474013.db2.gz JWIGXXFDMYFOMV-UHFFFAOYSA-N 0 3 249.383 3.160 20 0 BGADHN CC[C@@H](NCc1c(C)cnn1C)c1cccs1 ZINC000352765464 344871305 /nfs/dbraw/zinc/87/13/05/344871305.db2.gz NLETVDQVWBAQEX-LLVKDONJSA-N 0 3 249.383 3.031 20 0 BGADHN CC[C@H](NCc1c(C)cnn1C)c1cccs1 ZINC000352765465 171529447 /nfs/dbraw/zinc/52/94/47/171529447.db2.gz NLETVDQVWBAQEX-NSHDSACASA-N 0 3 249.383 3.031 20 0 BGADHN CCc1ccc(CNCc2sccc2C)cn1 ZINC000352767313 387469589 /nfs/dbraw/zinc/46/95/89/387469589.db2.gz BYSLXWZXWPMTEY-UHFFFAOYSA-N 0 3 246.379 3.304 20 0 BGADHN CC(C)N(Cc1ccn(C(C)C)n1)C(C)C ZINC000352768211 387469198 /nfs/dbraw/zinc/46/91/98/387469198.db2.gz GMCSHKUSGDAJJG-UHFFFAOYSA-N 0 3 223.364 3.083 20 0 BGADHN C[C@@H]1CCC[C@H](CN2CCC=C(F)C2)C1 ZINC000352769478 176137390 /nfs/dbraw/zinc/13/73/90/176137390.db2.gz MTBGJZZRXGSYQR-NEPJUHHUSA-N 0 3 211.324 3.372 20 0 BGADHN C[C@H]1CCC[C@@H](CN2CCC=C(F)C2)C1 ZINC000352769480 177119369 /nfs/dbraw/zinc/11/93/69/177119369.db2.gz MTBGJZZRXGSYQR-NWDGAFQWSA-N 0 3 211.324 3.372 20 0 BGADHN C[C@H]1CCC[C@H](CN2CCC=C(F)C2)C1 ZINC000352769481 177133594 /nfs/dbraw/zinc/13/35/94/177133594.db2.gz MTBGJZZRXGSYQR-RYUDHWBXSA-N 0 3 211.324 3.372 20 0 BGADHN C[C@@H]1CCC[C@@H](CN2CCC=C(F)C2)C1 ZINC000352769482 176117153 /nfs/dbraw/zinc/11/71/53/176117153.db2.gz MTBGJZZRXGSYQR-VXGBXAGGSA-N 0 3 211.324 3.372 20 0 BGADHN Cn1ccc(CNCc2ccc3occc3c2)c1 ZINC000352769804 387469638 /nfs/dbraw/zinc/46/96/38/387469638.db2.gz NXXYLHRJYGOICZ-UHFFFAOYSA-N 0 3 240.306 3.061 20 0 BGADHN Fc1ccc(/C=C/CNCc2ccoc2)cc1F ZINC000352771760 387473994 /nfs/dbraw/zinc/47/39/94/387473994.db2.gz NZYRFWDWTUXJDP-OWOJBTEDSA-N 0 3 249.260 3.361 20 0 BGADHN Fc1ccc(/C=C\CNCc2ccoc2)cc1F ZINC000352771761 387473777 /nfs/dbraw/zinc/47/37/77/387473777.db2.gz NZYRFWDWTUXJDP-UPHRSURJSA-N 0 3 249.260 3.361 20 0 BGADHN CCCCOCCNCc1ccc2occc2c1 ZINC000352778551 168901720 /nfs/dbraw/zinc/90/17/20/168901720.db2.gz HTUYGBWGQFVADR-UHFFFAOYSA-N 0 3 247.338 3.339 20 0 BGADHN CCc1ccc(CNCc2ccc(C)s2)cn1 ZINC000352784002 136264569 /nfs/dbraw/zinc/26/45/69/136264569.db2.gz ZVMVDQKPYGPGRJ-UHFFFAOYSA-N 0 3 246.379 3.304 20 0 BGADHN CC(C)N(Cc1nc2cccnc2s1)C(C)C ZINC000352785047 387481448 /nfs/dbraw/zinc/48/14/48/387481448.db2.gz SZSOTMKJGDUWCU-UHFFFAOYSA-N 0 3 249.383 3.310 20 0 BGADHN Cc1c[nH]nc1CNCC(C)(C)C1CCCC1 ZINC000352793119 387486694 /nfs/dbraw/zinc/48/66/94/387486694.db2.gz DPEOWLLHVBDIEF-UHFFFAOYSA-N 0 3 235.375 3.024 20 0 BGADHN C[C@@H]1CCCN(Cc2cccc3c2OCO3)CC1 ZINC000352794359 176101427 /nfs/dbraw/zinc/10/14/27/176101427.db2.gz ANIWNIOUHZRPNB-GFCCVEGCSA-N 0 3 247.338 3.037 20 0 BGADHN C[C@H]1CCCN(Cc2cccc3c2OCO3)CC1 ZINC000352794361 177101916 /nfs/dbraw/zinc/10/19/16/177101916.db2.gz ANIWNIOUHZRPNB-LBPRGKRZSA-N 0 3 247.338 3.037 20 0 BGADHN C[C@@H]1CCCN(Cc2ccccc2F)CC1 ZINC000352804199 176101258 /nfs/dbraw/zinc/10/12/58/176101258.db2.gz ZVVCTMBNDAPBKU-GFCCVEGCSA-N 0 3 221.319 3.448 20 0 BGADHN C[C@H]1CCCN(Cc2ccccc2F)CC1 ZINC000352804200 177101501 /nfs/dbraw/zinc/10/15/01/177101501.db2.gz ZVVCTMBNDAPBKU-LBPRGKRZSA-N 0 3 221.319 3.448 20 0 BGADHN CCOc1cccc(CN2CCC[C@@H](C)CC2)n1 ZINC000352804752 387493511 /nfs/dbraw/zinc/49/35/11/387493511.db2.gz QMIBUPUTSAUYFX-CYBMUJFWSA-N 0 3 248.370 3.102 20 0 BGADHN CCOc1cccc(CN2CCC[C@H](C)CC2)n1 ZINC000352804753 387493565 /nfs/dbraw/zinc/49/35/65/387493565.db2.gz QMIBUPUTSAUYFX-ZDUSSCGKSA-N 0 3 248.370 3.102 20 0 BGADHN COc1c(O)cccc1CN[C@@H]1CCC(C)(C)C1 ZINC000352806459 387498311 /nfs/dbraw/zinc/49/83/11/387498311.db2.gz RDURZDMRROUJSE-GFCCVEGCSA-N 0 3 249.354 3.069 20 0 BGADHN COc1c(O)cccc1CN[C@H]1CCC(C)(C)C1 ZINC000352806460 387498671 /nfs/dbraw/zinc/49/86/71/387498671.db2.gz RDURZDMRROUJSE-LBPRGKRZSA-N 0 3 249.354 3.069 20 0 BGADHN CCc1ccc(CN2CCC[C@@H](C)CC2)o1 ZINC000352807081 387498918 /nfs/dbraw/zinc/49/89/18/387498918.db2.gz WBBMXDAJJDWIAK-GFCCVEGCSA-N 0 3 221.344 3.464 20 0 BGADHN CCc1ccc(CN2CCC[C@H](C)CC2)o1 ZINC000352807082 387498610 /nfs/dbraw/zinc/49/86/10/387498610.db2.gz WBBMXDAJJDWIAK-LBPRGKRZSA-N 0 3 221.344 3.464 20 0 BGADHN Cc1cn[nH]c1CN[C@H](C)c1ccc(C)c(F)c1 ZINC000352809210 387500516 /nfs/dbraw/zinc/50/05/16/387500516.db2.gz GCKPJBHNNOLEKW-LLVKDONJSA-N 0 3 247.317 3.016 20 0 BGADHN Cc1c[nH]nc1CNCC[C@@H]1CCC[C@H](C)C1 ZINC000352809909 387500907 /nfs/dbraw/zinc/50/09/07/387500907.db2.gz KBINUUWPOGYWJM-AAEUAGOBSA-N 0 3 235.375 3.024 20 0 BGADHN Cc1c[nH]nc1CNCC[C@H]1CCC[C@@H](C)C1 ZINC000352809910 387501996 /nfs/dbraw/zinc/50/19/96/387501996.db2.gz KBINUUWPOGYWJM-DGCLKSJQSA-N 0 3 235.375 3.024 20 0 BGADHN Cc1c[nH]nc1CNCC[C@H]1CCC[C@H](C)C1 ZINC000352809911 387501389 /nfs/dbraw/zinc/50/13/89/387501389.db2.gz KBINUUWPOGYWJM-WCQYABFASA-N 0 3 235.375 3.024 20 0 BGADHN Cc1c[nH]nc1CNCC[C@@H]1CCC[C@@H](C)C1 ZINC000352809912 387501538 /nfs/dbraw/zinc/50/15/38/387501538.db2.gz KBINUUWPOGYWJM-YPMHNXCESA-N 0 3 235.375 3.024 20 0 BGADHN Cc1c[nH]nc1CN[C@@H]1CCC(C)(C)C[C@@H]1C ZINC000352811561 387502994 /nfs/dbraw/zinc/50/29/94/387502994.db2.gz STIPKQXEDYKUFC-CMPLNLGQSA-N 0 3 235.375 3.023 20 0 BGADHN Cc1c[nH]nc1CN[C@H]1CCC(C)(C)C[C@@H]1C ZINC000352811567 387502842 /nfs/dbraw/zinc/50/28/42/387502842.db2.gz STIPKQXEDYKUFC-JQWIXIFHSA-N 0 3 235.375 3.023 20 0 BGADHN Cc1c[nH]nc1CN[C@H]1CCC(C)(C)C[C@H]1C ZINC000352811568 387502575 /nfs/dbraw/zinc/50/25/75/387502575.db2.gz STIPKQXEDYKUFC-PWSUYJOCSA-N 0 3 235.375 3.023 20 0 BGADHN Cc1c[nH]nc1CN[C@@H]1CCC(C)(C)C[C@H]1C ZINC000352811573 387503261 /nfs/dbraw/zinc/50/32/61/387503261.db2.gz STIPKQXEDYKUFC-ZYHUDNBSSA-N 0 3 235.375 3.023 20 0 BGADHN C[C@H]1CSC[C@@H]1NCc1cc2ccccc2o1 ZINC000352814546 177306171 /nfs/dbraw/zinc/30/61/71/177306171.db2.gz IOHXMJHEDVKTHH-GWCFXTLKSA-N 0 3 247.363 3.274 20 0 BGADHN C[C@H]1CSC[C@H]1NCc1cc2ccccc2o1 ZINC000352814547 177307006 /nfs/dbraw/zinc/30/70/06/177307006.db2.gz IOHXMJHEDVKTHH-GXFFZTMASA-N 0 3 247.363 3.274 20 0 BGADHN C[C@@H]1CSC[C@@H]1NCc1cc2ccccc2o1 ZINC000352814548 176353557 /nfs/dbraw/zinc/35/35/57/176353557.db2.gz IOHXMJHEDVKTHH-MFKMUULPSA-N 0 3 247.363 3.274 20 0 BGADHN C[C@@H]1CSC[C@H]1NCc1cc2ccccc2o1 ZINC000352814549 176355618 /nfs/dbraw/zinc/35/56/18/176355618.db2.gz IOHXMJHEDVKTHH-ZWNOBZJWSA-N 0 3 247.363 3.274 20 0 BGADHN CCOCCN(C)Cc1ccc(C2CCC2)cc1 ZINC000352821360 170389160 /nfs/dbraw/zinc/38/91/60/170389160.db2.gz BSTRIAOUGKTXLO-UHFFFAOYSA-N 0 3 247.382 3.422 20 0 BGADHN CCCC[NH2+]Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000352822277 387522178 /nfs/dbraw/zinc/52/21/78/387522178.db2.gz JLUFVLUMEXCYTI-UHFFFAOYSA-N 0 3 247.260 3.301 20 0 BGADHN CCOCCN(C)Cc1cc(C)cc(Cl)c1 ZINC000352823787 170389916 /nfs/dbraw/zinc/38/99/16/170389916.db2.gz LFXMRVHZZXQDFG-UHFFFAOYSA-N 0 3 241.762 3.117 20 0 BGADHN CC(C)C[NH2+]Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000352826048 167007555 /nfs/dbraw/zinc/00/75/55/167007555.db2.gz VMEAGKSEEPQMRB-UHFFFAOYSA-N 0 3 247.260 3.157 20 0 BGADHN CCC1CCC(CNCc2n[nH]cc2C)CC1 ZINC000352828064 398323880 /nfs/dbraw/zinc/32/38/80/398323880.db2.gz ZWRUTKYZXWNDGQ-UHFFFAOYSA-N 0 3 235.375 3.024 20 0 BGADHN CCOCCN([C@H](C)c1ccccc1)C1CC1 ZINC000352828712 170392258 /nfs/dbraw/zinc/39/22/58/170392258.db2.gz ZAUBUUROXZUTBU-CYBMUJFWSA-N 0 3 233.355 3.249 20 0 BGADHN CCOCCN([C@@H](C)c1ccccc1)C1CC1 ZINC000352828713 170392408 /nfs/dbraw/zinc/39/24/08/170392408.db2.gz ZAUBUUROXZUTBU-ZDUSSCGKSA-N 0 3 233.355 3.249 20 0 BGADHN CCOCCN(CC)Cc1ccc(C)c(C)c1 ZINC000352828778 170395768 /nfs/dbraw/zinc/39/57/68/170395768.db2.gz ZTVGKPSJUHSKPG-UHFFFAOYSA-N 0 3 235.371 3.162 20 0 BGADHN Cc1c[nH]nc1CNCC[C@@H]1CCCC[C@@H]1C ZINC000352836150 386681524 /nfs/dbraw/zinc/68/15/24/386681524.db2.gz JULJJJANMDHWBE-AAEUAGOBSA-N 0 3 235.375 3.024 20 0 BGADHN Cc1c[nH]nc1CNCC[C@H]1CCCC[C@H]1C ZINC000352836151 386681444 /nfs/dbraw/zinc/68/14/44/386681444.db2.gz JULJJJANMDHWBE-DGCLKSJQSA-N 0 3 235.375 3.024 20 0 BGADHN Cc1c[nH]nc1CNCC[C@H]1CCCC[C@@H]1C ZINC000352836282 386680117 /nfs/dbraw/zinc/68/01/17/386680117.db2.gz JULJJJANMDHWBE-WCQYABFASA-N 0 3 235.375 3.024 20 0 BGADHN Cc1c[nH]nc1CNCC[C@@H]1CCCC[C@H]1C ZINC000352836283 386680022 /nfs/dbraw/zinc/68/00/22/386680022.db2.gz JULJJJANMDHWBE-YPMHNXCESA-N 0 3 235.375 3.024 20 0 BGADHN Cc1c[nH]nc1CNCC1(CC(C)C)CCC1 ZINC000352836527 386681260 /nfs/dbraw/zinc/68/12/60/386681260.db2.gz MJYRPBLCQDEDNQ-UHFFFAOYSA-N 0 3 235.375 3.024 20 0 BGADHN CCOCCN(CC)Cc1ccc(C)cc1C ZINC000352837280 170396753 /nfs/dbraw/zinc/39/67/53/170396753.db2.gz DIJBKAUTBPVCKX-UHFFFAOYSA-N 0 3 235.371 3.162 20 0 BGADHN CCOCCN(CC)Cc1ccc(CC)cc1 ZINC000352837678 170396286 /nfs/dbraw/zinc/39/62/86/170396286.db2.gz GCSUOCYFPOCVJW-UHFFFAOYSA-N 0 3 235.371 3.107 20 0 BGADHN CCOCCN(CC)Cc1cc(C)ccc1C ZINC000352837969 170395206 /nfs/dbraw/zinc/39/52/06/170395206.db2.gz IWMBTTYKICSODM-UHFFFAOYSA-N 0 3 235.371 3.162 20 0 BGADHN CCOCCN(CC)Cc1ccc2c(c1)CCC2 ZINC000352838238 170396758 /nfs/dbraw/zinc/39/67/58/170396758.db2.gz JTOIBEMPJGVHSQ-UHFFFAOYSA-N 0 3 247.382 3.034 20 0 BGADHN CCc1nocc1CN1CC[C@@H](C)C2(CCC2)C1 ZINC000352838549 172098267 /nfs/dbraw/zinc/09/82/67/172098267.db2.gz LCKWXOJUVBBIFJ-GFCCVEGCSA-N 0 3 248.370 3.249 20 0 BGADHN CCc1nocc1CN1CC[C@H](C)C2(CCC2)C1 ZINC000352838550 172098900 /nfs/dbraw/zinc/09/89/00/172098900.db2.gz LCKWXOJUVBBIFJ-LBPRGKRZSA-N 0 3 248.370 3.249 20 0 BGADHN Cc1c[nH]nc1CN[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000352838651 386689620 /nfs/dbraw/zinc/68/96/20/386689620.db2.gz GMONIXVHEDLBOB-BFHYXJOUSA-N 0 3 247.386 3.167 20 0 BGADHN Cc1c[nH]nc1CN[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000352838652 386689084 /nfs/dbraw/zinc/68/90/84/386689084.db2.gz GMONIXVHEDLBOB-HZSPNIEDSA-N 0 3 247.386 3.167 20 0 BGADHN Cc1c[nH]nc1CN[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000352838653 386687362 /nfs/dbraw/zinc/68/73/62/386687362.db2.gz GMONIXVHEDLBOB-MELADBBJSA-N 0 3 247.386 3.167 20 0 BGADHN Cc1c[nH]nc1CN[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000352838654 386689916 /nfs/dbraw/zinc/68/99/16/386689916.db2.gz GMONIXVHEDLBOB-MGPQQGTHSA-N 0 3 247.386 3.167 20 0 BGADHN CCOCCN(CC)Cc1cc(C)cc(C)c1 ZINC000352839750 170394817 /nfs/dbraw/zinc/39/48/17/170394817.db2.gz RNAATOSNLZRMDF-UHFFFAOYSA-N 0 3 235.371 3.162 20 0 BGADHN CCOCCN(CC)Cc1cccc(C)c1C ZINC000352840815 170396414 /nfs/dbraw/zinc/39/64/14/170396414.db2.gz YBJNJVBBSAFQCW-UHFFFAOYSA-N 0 3 235.371 3.162 20 0 BGADHN CC[C@@H](C)[NH2+]Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000352840885 187370180 /nfs/dbraw/zinc/37/01/80/187370180.db2.gz PFYNBEQTNMXKAK-MRVPVSSYSA-N 0 3 247.260 3.299 20 0 BGADHN CC[C@H](C)[NH2+]Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000352840886 171343422 /nfs/dbraw/zinc/34/34/22/171343422.db2.gz PFYNBEQTNMXKAK-QMMMGPOBSA-N 0 3 247.260 3.299 20 0 BGADHN [O-]c1cc(C[NH2+]C2CCC2)cc(C(F)(F)F)c1 ZINC000352840994 183257614 /nfs/dbraw/zinc/25/76/14/183257614.db2.gz QBZXVWWSJMIWEZ-UHFFFAOYSA-N 0 3 245.244 3.053 20 0 BGADHN CCCC1CCC(NCc2n[nH]cc2C)CC1 ZINC000352841444 386696875 /nfs/dbraw/zinc/69/68/75/386696875.db2.gz RISOZGWHEIFZDG-UHFFFAOYSA-N 0 3 235.375 3.167 20 0 BGADHN Cc1c[nH]nc1CNCCCCC1CCCC1 ZINC000352844730 386710736 /nfs/dbraw/zinc/71/07/36/386710736.db2.gz QTLRWLLAEPNCEH-UHFFFAOYSA-N 0 3 235.375 3.168 20 0 BGADHN Cc1c[nH]nc1CNCC1CCC(C)(C)CC1 ZINC000352846889 490104173 /nfs/dbraw/zinc/10/41/73/490104173.db2.gz STSTUXWNFDDTQE-UHFFFAOYSA-N 0 3 235.375 3.024 20 0 BGADHN CC1=C[C@H](C)C[C@H](CNCc2ccc(F)cn2)C1 ZINC000352850584 168131045 /nfs/dbraw/zinc/13/10/45/168131045.db2.gz YGSSVAJZLJAXEA-AAEUAGOBSA-N 0 3 248.345 3.303 20 0 BGADHN CC1=C[C@@H](C)C[C@@H](CNCc2ccc(F)cn2)C1 ZINC000352850589 168122987 /nfs/dbraw/zinc/12/29/87/168122987.db2.gz YGSSVAJZLJAXEA-DGCLKSJQSA-N 0 3 248.345 3.303 20 0 BGADHN CC1=C[C@H](C)C[C@@H](CNCc2ccc(F)cn2)C1 ZINC000352850590 168128867 /nfs/dbraw/zinc/12/88/67/168128867.db2.gz YGSSVAJZLJAXEA-WCQYABFASA-N 0 3 248.345 3.303 20 0 BGADHN CC1=C[C@@H](C)C[C@H](CNCc2ccc(F)cn2)C1 ZINC000352850592 168125587 /nfs/dbraw/zinc/12/55/87/168125587.db2.gz YGSSVAJZLJAXEA-YPMHNXCESA-N 0 3 248.345 3.303 20 0 BGADHN CCc1nocc1CN1C[C@H](C)CC(C)(C)C1 ZINC000352858297 172097289 /nfs/dbraw/zinc/09/72/89/172097289.db2.gz NVSAYICCEGLHEI-LLVKDONJSA-N 0 3 236.359 3.105 20 0 BGADHN CCc1nocc1CN1C[C@@H](C)CC(C)(C)C1 ZINC000352858298 172098316 /nfs/dbraw/zinc/09/83/16/172098316.db2.gz NVSAYICCEGLHEI-NSHDSACASA-N 0 3 236.359 3.105 20 0 BGADHN Cc1c[nH]nc1CNCC[C@@H](C)CC(C)(C)C ZINC000352861341 386773072 /nfs/dbraw/zinc/77/30/72/386773072.db2.gz HEUCXWBRKMMIDS-LLVKDONJSA-N 0 3 237.391 3.270 20 0 BGADHN Cc1c[nH]nc1CNCC[C@H](C)CC(C)(C)C ZINC000352861342 386772520 /nfs/dbraw/zinc/77/25/20/386772520.db2.gz HEUCXWBRKMMIDS-NSHDSACASA-N 0 3 237.391 3.270 20 0 BGADHN CCc1nocc1CN1CC[C@@H](C(C)(C)C)C1 ZINC000352865805 172097278 /nfs/dbraw/zinc/09/72/78/172097278.db2.gz DUHPAKOKQDZTJR-GFCCVEGCSA-N 0 3 236.359 3.105 20 0 BGADHN CCc1nocc1CN1CC[C@H](C(C)(C)C)C1 ZINC000352865807 172098275 /nfs/dbraw/zinc/09/82/75/172098275.db2.gz DUHPAKOKQDZTJR-LBPRGKRZSA-N 0 3 236.359 3.105 20 0 BGADHN CC1(C)SC[C@H]1NCc1ccc2occc2c1 ZINC000352865990 386780413 /nfs/dbraw/zinc/78/04/13/386780413.db2.gz IOUIBEWSYFSJDD-CYBMUJFWSA-N 0 3 247.363 3.416 20 0 BGADHN CC1(C)SC[C@@H]1NCc1ccc2occc2c1 ZINC000352865991 188231781 /nfs/dbraw/zinc/23/17/81/188231781.db2.gz IOUIBEWSYFSJDD-ZDUSSCGKSA-N 0 3 247.363 3.416 20 0 BGADHN CCc1nocc1CN1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000352868589 172097229 /nfs/dbraw/zinc/09/72/29/172097229.db2.gz TVBZAEJEJPGGAY-DOMZBBRYSA-N 0 3 248.370 3.249 20 0 BGADHN CCc1nocc1CN1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000352868592 172097341 /nfs/dbraw/zinc/09/73/41/172097341.db2.gz TVBZAEJEJPGGAY-IUODEOHRSA-N 0 3 248.370 3.249 20 0 BGADHN CCc1nocc1CN1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000352868594 172097473 /nfs/dbraw/zinc/09/74/73/172097473.db2.gz TVBZAEJEJPGGAY-SWLSCSKDSA-N 0 3 248.370 3.249 20 0 BGADHN CCc1nocc1CN1CC[C@]2(CC[C@H](C)C2)C1 ZINC000352868609 172097508 /nfs/dbraw/zinc/09/75/08/172097508.db2.gz TVBZAEJEJPGGAY-WFASDCNBSA-N 0 3 248.370 3.249 20 0 BGADHN CCC1(CNCc2n[nH]cc2C)CCCCC1 ZINC000352874906 386813215 /nfs/dbraw/zinc/81/32/15/386813215.db2.gz XBBWGPAYNZRSCM-UHFFFAOYSA-N 0 3 235.375 3.168 20 0 BGADHN CCC[C@@H]1CCCCN1Cc1conc1C ZINC000352894802 386937230 /nfs/dbraw/zinc/93/72/30/386937230.db2.gz VPGFIJAVJDEETN-CYBMUJFWSA-N 0 3 222.332 3.138 20 0 BGADHN CCC[C@H]1CCCCN1Cc1conc1C ZINC000352894803 169524564 /nfs/dbraw/zinc/52/45/64/169524564.db2.gz VPGFIJAVJDEETN-ZDUSSCGKSA-N 0 3 222.332 3.138 20 0 BGADHN CC1=C[C@H](C)C[C@@H](CN[C@H](C)c2ccon2)C1 ZINC000352904738 168129656 /nfs/dbraw/zinc/12/96/56/168129656.db2.gz UOZKETUYMUORSX-CYZMBNFOSA-N 0 3 234.343 3.318 20 0 BGADHN CC1=C[C@H](C)C[C@H](CN[C@@H](C)c2ccon2)C1 ZINC000352904740 168130802 /nfs/dbraw/zinc/13/08/02/168130802.db2.gz UOZKETUYMUORSX-DRZSPHRISA-N 0 3 234.343 3.318 20 0 BGADHN CC1=C[C@H](C)C[C@H](CN[C@H](C)c2ccon2)C1 ZINC000352904742 168131056 /nfs/dbraw/zinc/13/10/56/168131056.db2.gz UOZKETUYMUORSX-UHTWSYAYSA-N 0 3 234.343 3.318 20 0 BGADHN CC1=C[C@H](C)C[C@@H](CN[C@@H](C)c2ccon2)C1 ZINC000352904745 168129983 /nfs/dbraw/zinc/12/99/83/168129983.db2.gz UOZKETUYMUORSX-WCFLWFBJSA-N 0 3 234.343 3.318 20 0 BGADHN CCc1nocc1CN1CC[C@@H](C)C(C)(C)C1 ZINC000352905799 172097687 /nfs/dbraw/zinc/09/76/87/172097687.db2.gz ZOTBRPMDAQKXDN-LLVKDONJSA-N 0 3 236.359 3.105 20 0 BGADHN CCc1nocc1CN1CC[C@H](C)C(C)(C)C1 ZINC000352905800 172098554 /nfs/dbraw/zinc/09/85/54/172098554.db2.gz ZOTBRPMDAQKXDN-NSHDSACASA-N 0 3 236.359 3.105 20 0 BGADHN Cc1cn[nH]c1CNCc1cccc(C(C)C)c1 ZINC000352907977 386957540 /nfs/dbraw/zinc/95/75/40/386957540.db2.gz WLKCATREFBDIGE-UHFFFAOYSA-N 0 3 243.354 3.131 20 0 BGADHN Cc1n[nH]c(C)c1CN1CCC(C(C)(C)C)CC1 ZINC000352913975 386965853 /nfs/dbraw/zinc/96/58/53/386965853.db2.gz JMYJMKRGNOLHGJ-UHFFFAOYSA-N 0 3 249.402 3.285 20 0 BGADHN Cn1cccc1CN1CCC(C(C)(C)C)CC1 ZINC000352916942 386965958 /nfs/dbraw/zinc/96/59/58/386965958.db2.gz UMGSEOPXDOJJMG-UHFFFAOYSA-N 0 3 234.387 3.283 20 0 BGADHN C[C@@H]1CCCN(Cc2cccc(F)c2)[C@H]1C ZINC000352923820 386967502 /nfs/dbraw/zinc/96/75/02/386967502.db2.gz CYINOWJRRWRRAS-NEPJUHHUSA-N 0 3 221.319 3.446 20 0 BGADHN C[C@@H]1[C@@H](C)CCCN1Cc1cccc(F)c1 ZINC000352923821 177102261 /nfs/dbraw/zinc/10/22/61/177102261.db2.gz CYINOWJRRWRRAS-NWDGAFQWSA-N 0 3 221.319 3.446 20 0 BGADHN C[C@H]1CCCN(Cc2cccc(F)c2)[C@H]1C ZINC000352923822 177102416 /nfs/dbraw/zinc/10/24/16/177102416.db2.gz CYINOWJRRWRRAS-RYUDHWBXSA-N 0 3 221.319 3.446 20 0 BGADHN C[C@@H]1CCCN(Cc2cccc(F)c2)[C@@H]1C ZINC000352923823 176101738 /nfs/dbraw/zinc/10/17/38/176101738.db2.gz CYINOWJRRWRRAS-VXGBXAGGSA-N 0 3 221.319 3.446 20 0 BGADHN Cc1nccc(CN2CC(C)(C)CC(C)(C)C2)n1 ZINC000352923880 180183807 /nfs/dbraw/zinc/18/38/07/180183807.db2.gz FAIGWVWUCOPZSM-UHFFFAOYSA-N 0 3 247.386 3.043 20 0 BGADHN CCOc1cccc(CN2CCC[C@@H](C)[C@H]2C)n1 ZINC000352925113 386968401 /nfs/dbraw/zinc/96/84/01/386968401.db2.gz KABKANLKRUNCFJ-CHWSQXEVSA-N 0 3 248.370 3.101 20 0 BGADHN CCOc1cccc(CN2CCC[C@@H](C)[C@@H]2C)n1 ZINC000352925114 386968912 /nfs/dbraw/zinc/96/89/12/386968912.db2.gz KABKANLKRUNCFJ-OLZOCXBDSA-N 0 3 248.370 3.101 20 0 BGADHN CCOc1cccc(CN2CCC[C@H](C)[C@H]2C)n1 ZINC000352925115 386968271 /nfs/dbraw/zinc/96/82/71/386968271.db2.gz KABKANLKRUNCFJ-QWHCGFSZSA-N 0 3 248.370 3.101 20 0 BGADHN CCOc1cccc(CN2CCC[C@H](C)[C@@H]2C)n1 ZINC000352925116 386968182 /nfs/dbraw/zinc/96/81/82/386968182.db2.gz KABKANLKRUNCFJ-STQMWFEESA-N 0 3 248.370 3.101 20 0 BGADHN Cc1nocc1CN1CC(C)(C)CC(C)(C)C1 ZINC000352926697 386968715 /nfs/dbraw/zinc/96/87/15/386968715.db2.gz QHRASQOBESSAIQ-UHFFFAOYSA-N 0 3 236.359 3.241 20 0 BGADHN CCc1ccc(CN2CCC[C@@H](C)[C@@H]2C)o1 ZINC000352926770 386967837 /nfs/dbraw/zinc/96/78/37/386967837.db2.gz REONXWODMPREEW-NEPJUHHUSA-N 0 3 221.344 3.462 20 0 BGADHN CCc1ccc(CN2CCC[C@H](C)[C@H]2C)o1 ZINC000352926771 386969020 /nfs/dbraw/zinc/96/90/20/386969020.db2.gz REONXWODMPREEW-NWDGAFQWSA-N 0 3 221.344 3.462 20 0 BGADHN CCc1ccc(CN2CCC[C@H](C)[C@@H]2C)o1 ZINC000352926772 386969608 /nfs/dbraw/zinc/96/96/08/386969608.db2.gz REONXWODMPREEW-RYUDHWBXSA-N 0 3 221.344 3.462 20 0 BGADHN CCc1ccc(CN2CCC[C@@H](C)[C@H]2C)o1 ZINC000352926773 386968091 /nfs/dbraw/zinc/96/80/91/386968091.db2.gz REONXWODMPREEW-VXGBXAGGSA-N 0 3 221.344 3.462 20 0 BGADHN C[C@@H]1CCCN(Cc2ccccc2F)[C@H]1C ZINC000352927436 386967647 /nfs/dbraw/zinc/96/76/47/386967647.db2.gz XFYPOKSRKXFQAQ-NEPJUHHUSA-N 0 3 221.319 3.446 20 0 BGADHN C[C@@H]1[C@@H](C)CCCN1Cc1ccccc1F ZINC000352927437 177102287 /nfs/dbraw/zinc/10/22/87/177102287.db2.gz XFYPOKSRKXFQAQ-NWDGAFQWSA-N 0 3 221.319 3.446 20 0 BGADHN C[C@H]1CCCN(Cc2ccccc2F)[C@H]1C ZINC000352927438 177101151 /nfs/dbraw/zinc/10/11/51/177101151.db2.gz XFYPOKSRKXFQAQ-RYUDHWBXSA-N 0 3 221.319 3.446 20 0 BGADHN C[C@@H]1CCCN(Cc2ccccc2F)[C@@H]1C ZINC000352927439 176101014 /nfs/dbraw/zinc/10/10/14/176101014.db2.gz XFYPOKSRKXFQAQ-VXGBXAGGSA-N 0 3 221.319 3.446 20 0 BGADHN Cc1ccc(CN2CCC[C@@H](C)[C@H]2C)nc1 ZINC000352935901 386971764 /nfs/dbraw/zinc/97/17/64/386971764.db2.gz RVUYHWMIAVYAHO-CHWSQXEVSA-N 0 3 218.344 3.010 20 0 BGADHN Cc1ccc(CN2CCC[C@@H](C)[C@@H]2C)nc1 ZINC000352935902 386972047 /nfs/dbraw/zinc/97/20/47/386972047.db2.gz RVUYHWMIAVYAHO-OLZOCXBDSA-N 0 3 218.344 3.010 20 0 BGADHN Cc1ccc(CN2CCC[C@H](C)[C@H]2C)nc1 ZINC000352935903 386972246 /nfs/dbraw/zinc/97/22/46/386972246.db2.gz RVUYHWMIAVYAHO-QWHCGFSZSA-N 0 3 218.344 3.010 20 0 BGADHN Cc1ccc(CN2CCC[C@H](C)[C@@H]2C)nc1 ZINC000352935904 386970196 /nfs/dbraw/zinc/97/01/96/386970196.db2.gz RVUYHWMIAVYAHO-STQMWFEESA-N 0 3 218.344 3.010 20 0 BGADHN Cc1c[nH]nc1CNCC1(C)CCC(C)CC1 ZINC000352940221 386972063 /nfs/dbraw/zinc/97/20/63/386972063.db2.gz LQDKCAVTNCJDJI-UHFFFAOYSA-N 0 3 235.375 3.024 20 0 BGADHN CCc1ncc(CN(C)CC2CCCC2)s1 ZINC000352944051 386971631 /nfs/dbraw/zinc/97/16/31/386971631.db2.gz FQYUAGRDYUHLTL-UHFFFAOYSA-N 0 3 238.400 3.328 20 0 BGADHN Cc1c[nH]nc1CNCCC1=CCCCCC1 ZINC000352947504 386972960 /nfs/dbraw/zinc/97/29/60/386972960.db2.gz QIXQBXFNJCYFSC-UHFFFAOYSA-N 0 3 233.359 3.088 20 0 BGADHN Cc1cn[nH]c1CN[C@H](C)c1c(C)cccc1C ZINC000352947570 386973219 /nfs/dbraw/zinc/97/32/19/386973219.db2.gz RFVQEDHBJWJALV-CYBMUJFWSA-N 0 3 243.354 3.186 20 0 BGADHN Cc1cn[nH]c1CN[C@@H](C)c1c(C)cccc1C ZINC000352947571 386974711 /nfs/dbraw/zinc/97/47/11/386974711.db2.gz RFVQEDHBJWJALV-ZDUSSCGKSA-N 0 3 243.354 3.186 20 0 BGADHN CN(Cc1cccc2c1OCO2)CC1CCCC1 ZINC000352955930 172865612 /nfs/dbraw/zinc/86/56/12/172865612.db2.gz KEYWGYJHQWDWDL-UHFFFAOYSA-N 0 3 247.338 3.037 20 0 BGADHN CCC1(CC)CCN(Cc2conc2C)CC1 ZINC000352956173 386972818 /nfs/dbraw/zinc/97/28/18/386972818.db2.gz KHPVPLSXSCGBBD-UHFFFAOYSA-N 0 3 236.359 3.385 20 0 BGADHN Cc1sccc1CN1CCCC2(CC2)C1 ZINC000352959817 386975619 /nfs/dbraw/zinc/97/56/19/386975619.db2.gz BEZVBXZWXZDECP-UHFFFAOYSA-N 0 3 221.369 3.433 20 0 BGADHN CCC1(CC)CCN(Cc2ccnc(C)n2)CC1 ZINC000352961085 386976302 /nfs/dbraw/zinc/97/63/02/386976302.db2.gz ZWUBTLPBQKUXTG-UHFFFAOYSA-N 0 3 247.386 3.187 20 0 BGADHN Cc1cccc2ncc(CN3CCCC3(C)C)n21 ZINC000352962366 179231244 /nfs/dbraw/zinc/23/12/44/179231244.db2.gz LWBMAQWCSSQJHB-UHFFFAOYSA-N 0 3 243.354 3.017 20 0 BGADHN CCc1ncc(CN2CCC[C@@H](C)[C@H]2C)s1 ZINC000352964104 172017345 /nfs/dbraw/zinc/01/73/45/172017345.db2.gz RPEBICSHTKNMNZ-GHMZBOCLSA-N 0 3 238.400 3.326 20 0 BGADHN CCc1ncc(CN2CCC[C@H](C)[C@H]2C)s1 ZINC000352964105 172016884 /nfs/dbraw/zinc/01/68/84/172016884.db2.gz RPEBICSHTKNMNZ-WDEREUQCSA-N 0 3 238.400 3.326 20 0 BGADHN C[C@@H]1CCCN(Cc2cccc3c2OCO3)[C@H]1C ZINC000352964968 386977416 /nfs/dbraw/zinc/97/74/16/386977416.db2.gz WJZQETDFIOEEIE-NEPJUHHUSA-N 0 3 247.338 3.036 20 0 BGADHN C[C@@H]1[C@@H](C)CCCN1Cc1cccc2c1OCO2 ZINC000352964970 177101850 /nfs/dbraw/zinc/10/18/50/177101850.db2.gz WJZQETDFIOEEIE-NWDGAFQWSA-N 0 3 247.338 3.036 20 0 BGADHN C[C@H]1CCCN(Cc2cccc3c2OCO3)[C@H]1C ZINC000352964971 177101018 /nfs/dbraw/zinc/10/10/18/177101018.db2.gz WJZQETDFIOEEIE-RYUDHWBXSA-N 0 3 247.338 3.036 20 0 BGADHN C[C@@H]1CCCN(Cc2cccc3c2OCO3)[C@@H]1C ZINC000352964973 176100829 /nfs/dbraw/zinc/10/08/29/176100829.db2.gz WJZQETDFIOEEIE-VXGBXAGGSA-N 0 3 247.338 3.036 20 0 BGADHN COc1ccsc1CN1CCC[C@@H](C)[C@@H]1C ZINC000352965988 175377766 /nfs/dbraw/zinc/37/77/66/175377766.db2.gz YVZDDIXOFHTYNT-MNOVXSKESA-N 0 3 239.384 3.377 20 0 BGADHN COc1ccsc1CN1CCC[C@H](C)[C@@H]1C ZINC000352965989 175378816 /nfs/dbraw/zinc/37/88/16/175378816.db2.gz YVZDDIXOFHTYNT-QWRGUYRKSA-N 0 3 239.384 3.377 20 0 BGADHN Cc1nccc(CN2CCC(C)(C(C)C)CC2)n1 ZINC000352974836 180182994 /nfs/dbraw/zinc/18/29/94/180182994.db2.gz FDQVFERJKVEKEB-UHFFFAOYSA-N 0 3 247.386 3.043 20 0 BGADHN Cc1nocc1CN1CCC(C)(C(C)C)CC1 ZINC000352974841 386982244 /nfs/dbraw/zinc/98/22/44/386982244.db2.gz FECIWDFKDMGJEF-UHFFFAOYSA-N 0 3 236.359 3.241 20 0 BGADHN COc1ccc(F)c(CN2CC[C@H]3CCC[C@@H]32)c1 ZINC000352991447 175124229 /nfs/dbraw/zinc/12/42/29/175124229.db2.gz VURWJSYYZJFLCH-ABAIWWIYSA-N 0 3 249.329 3.209 20 0 BGADHN COc1ccc(F)c(CN2CC[C@H]3CCC[C@H]32)c1 ZINC000352991448 175124580 /nfs/dbraw/zinc/12/45/80/175124580.db2.gz VURWJSYYZJFLCH-IAQYHMDHSA-N 0 3 249.329 3.209 20 0 BGADHN COc1ccc(F)c(CN2CC[C@@H]3CCC[C@@H]32)c1 ZINC000352991449 175124758 /nfs/dbraw/zinc/12/47/58/175124758.db2.gz VURWJSYYZJFLCH-NHYWBVRUSA-N 0 3 249.329 3.209 20 0 BGADHN COc1ccc(F)c(CN2CC[C@@H]3CCC[C@H]32)c1 ZINC000352991450 175124664 /nfs/dbraw/zinc/12/46/64/175124664.db2.gz VURWJSYYZJFLCH-XHDPSFHLSA-N 0 3 249.329 3.209 20 0 BGADHN Fc1ccccc1CNCC1(C(F)(F)F)CC1 ZINC000353030622 181011991 /nfs/dbraw/zinc/01/19/91/181011991.db2.gz ADVFCHMGZVKMHC-UHFFFAOYSA-N 0 3 247.235 3.258 20 0 BGADHN Cn1ccnc1[C@@H](NCC1CCCCC1)C1CC1 ZINC000353034705 387004495 /nfs/dbraw/zinc/00/44/95/387004495.db2.gz BAZFHMSOBCSWCY-AWEZNQCLSA-N 0 3 247.386 3.041 20 0 BGADHN Cn1ccnc1[C@H](NCC1CCCCC1)C1CC1 ZINC000353034706 387004645 /nfs/dbraw/zinc/00/46/45/387004645.db2.gz BAZFHMSOBCSWCY-CQSZACIVSA-N 0 3 247.386 3.041 20 0 BGADHN Fc1ccc(CNCC2(C(F)(F)F)CC2)cc1 ZINC000353036750 387012772 /nfs/dbraw/zinc/01/27/72/387012772.db2.gz SIPDKKCIXCDVCB-UHFFFAOYSA-N 0 3 247.235 3.258 20 0 BGADHN Cc1ccccc1CNCC1(C(F)(F)F)CC1 ZINC000353036944 179280619 /nfs/dbraw/zinc/28/06/19/179280619.db2.gz UKQDTQUMXRWZRO-UHFFFAOYSA-N 0 3 243.272 3.427 20 0 BGADHN Cc1ccc(CNCC2(C(F)(F)F)CC2)cc1 ZINC000353046575 387028286 /nfs/dbraw/zinc/02/82/86/387028286.db2.gz LDBZYVBKUPBJCR-UHFFFAOYSA-N 0 3 243.272 3.427 20 0 BGADHN Cc1cccc(CNCC2(C(F)(F)F)CC2)c1 ZINC000353051079 179090379 /nfs/dbraw/zinc/09/03/79/179090379.db2.gz XEDWEOZLMSOHQA-UHFFFAOYSA-N 0 3 243.272 3.427 20 0 BGADHN Fc1cccc(CNCC2(C(F)(F)F)CC2)c1 ZINC000353051380 387032516 /nfs/dbraw/zinc/03/25/16/387032516.db2.gz HNUHATOBIBCCAQ-UHFFFAOYSA-N 0 3 247.235 3.258 20 0 BGADHN CCc1ccc(CNCC2(C(F)(F)F)CC2)o1 ZINC000353054553 387032060 /nfs/dbraw/zinc/03/20/60/387032060.db2.gz QODQKMXUPFLTPB-UHFFFAOYSA-N 0 3 247.260 3.274 20 0 BGADHN CCc1nocc1CN1CCCC2(CCCC2)C1 ZINC000353091087 172097791 /nfs/dbraw/zinc/09/77/91/172097791.db2.gz BUNDFJVAFJHFAI-UHFFFAOYSA-N 0 3 248.370 3.393 20 0 BGADHN Cc1ccc(CNCC2(C(F)(F)F)CCC2)o1 ZINC000353091189 387114689 /nfs/dbraw/zinc/11/46/89/387114689.db2.gz PPNSIIBBBGRXAF-UHFFFAOYSA-N 0 3 247.260 3.410 20 0 BGADHN Cc1ccoc1CNCC1(C(F)(F)F)CCC1 ZINC000353091697 387115790 /nfs/dbraw/zinc/11/57/90/387115790.db2.gz CVMXBEHZIRLSDT-UHFFFAOYSA-N 0 3 247.260 3.410 20 0 BGADHN CC(C)=CCN[C@H](C)c1ccc2n[nH]cc2c1 ZINC000353097628 188396899 /nfs/dbraw/zinc/39/68/99/188396899.db2.gz GPKDIYIKLRTCOA-LLVKDONJSA-N 0 3 229.327 3.180 20 0 BGADHN CC(C)=CCN[C@@H](C)c1ccc2n[nH]cc2c1 ZINC000353097629 187355148 /nfs/dbraw/zinc/35/51/48/187355148.db2.gz GPKDIYIKLRTCOA-NSHDSACASA-N 0 3 229.327 3.180 20 0 BGADHN CCc1nocc1CN1CCCCC(C)(C)C1 ZINC000353101196 355750670 /nfs/dbraw/zinc/75/06/70/355750670.db2.gz WNBODRLOLXMBLT-UHFFFAOYSA-N 0 3 236.359 3.249 20 0 BGADHN CC[C@@H]1CN([C@@H]2C[C@@H]2c2ccccc2)CCS1 ZINC000353119964 171095448 /nfs/dbraw/zinc/09/54/48/171095448.db2.gz DEFFMOIYNUZGJM-RBSFLKMASA-N 0 3 247.407 3.370 20 0 BGADHN CCC1(C)CCN(Cc2cccn2C)CC1 ZINC000353121866 387143221 /nfs/dbraw/zinc/14/32/21/387143221.db2.gz DUWFKWXZVXGJFR-UHFFFAOYSA-N 0 3 220.360 3.037 20 0 BGADHN CCC1(C)CCN(Cc2c(C)n[nH]c2C)CC1 ZINC000353121927 387141867 /nfs/dbraw/zinc/14/18/67/387141867.db2.gz FFSAQDOOGUOLQP-UHFFFAOYSA-N 0 3 235.375 3.039 20 0 BGADHN Cc1sccc1CN(C)CC[C@H]1CCCO1 ZINC000353123875 387143625 /nfs/dbraw/zinc/14/36/25/387143625.db2.gz IXMVOVPOMVIFDJ-CYBMUJFWSA-N 0 3 239.384 3.057 20 0 BGADHN Cc1sccc1CN(C)CC[C@@H]1CCCO1 ZINC000353123876 387142555 /nfs/dbraw/zinc/14/25/55/387142555.db2.gz IXMVOVPOMVIFDJ-ZDUSSCGKSA-N 0 3 239.384 3.057 20 0 BGADHN Cc1cc2cc(CNCc3cc[nH]c3)ccc2[nH]1 ZINC000353128474 178293861 /nfs/dbraw/zinc/29/38/61/178293861.db2.gz RGUHCEZCIQHIIA-UHFFFAOYSA-N 0 3 239.322 3.094 20 0 BGADHN CCC1(C)CCN(Cc2ccco2)CC1 ZINC000353129258 387143652 /nfs/dbraw/zinc/14/36/52/387143652.db2.gz SVBPVPCUIQNYFV-UHFFFAOYSA-N 0 3 207.317 3.292 20 0 BGADHN CCCn1cc(CN2CCC(C)(CC)CC2)cn1 ZINC000353129681 385581001 /nfs/dbraw/zinc/58/10/01/385581001.db2.gz UYTAUWVMDPVADV-UHFFFAOYSA-N 0 3 249.402 3.305 20 0 BGADHN CCC1(C)CCN(Cc2cccnc2C)CC1 ZINC000353130384 387143782 /nfs/dbraw/zinc/14/37/82/387143782.db2.gz WPJKORSOXQLBPX-UHFFFAOYSA-N 0 3 232.371 3.402 20 0 BGADHN CCC1(C)CCN(Cc2ccc(C)cn2)CC1 ZINC000353130426 397955599 /nfs/dbraw/zinc/95/55/99/397955599.db2.gz XDJSKPGMDQIZIR-UHFFFAOYSA-N 0 3 232.371 3.402 20 0 BGADHN CCC1(C)CCN(Cc2cnn(C(C)C)c2)CC1 ZINC000353130455 397955583 /nfs/dbraw/zinc/95/55/83/397955583.db2.gz XGJRLCNBHUXKTH-UHFFFAOYSA-N 0 3 249.402 3.476 20 0 BGADHN Cc1ccc(C(C)(C)NCc2ccccc2)cn1 ZINC000353131767 387143830 /nfs/dbraw/zinc/14/38/30/387143830.db2.gz RHGCKHDPGFLGOL-UHFFFAOYSA-N 0 3 240.350 3.415 20 0 BGADHN C[C@H]1CC[C@H]1NCc1cnc(-c2ccco2)s1 ZINC000353131987 177207148 /nfs/dbraw/zinc/20/71/48/177207148.db2.gz CDNWULCTOFVJDI-GXSJLCMTSA-N 0 3 248.351 3.291 20 0 BGADHN C[C@@H]1CC[C@@H]1NCc1cnc(-c2ccco2)s1 ZINC000353131992 176217228 /nfs/dbraw/zinc/21/72/28/176217228.db2.gz CDNWULCTOFVJDI-KOLCDFICSA-N 0 3 248.351 3.291 20 0 BGADHN C[C@@H]1CC[C@H]1NCc1cnc(-c2ccco2)s1 ZINC000353131993 176237120 /nfs/dbraw/zinc/23/71/20/176237120.db2.gz CDNWULCTOFVJDI-MWLCHTKSSA-N 0 3 248.351 3.291 20 0 BGADHN C[C@H]1CC[C@@H]1NCc1cnc(-c2ccco2)s1 ZINC000353131994 177195467 /nfs/dbraw/zinc/19/54/67/177195467.db2.gz CDNWULCTOFVJDI-ONGXEEELSA-N 0 3 248.351 3.291 20 0 BGADHN CCC1(C)CCN(Cc2scnc2C)CC1 ZINC000353132067 387142015 /nfs/dbraw/zinc/14/20/15/387142015.db2.gz ZZLJLLALQXUYLB-UHFFFAOYSA-N 0 3 238.400 3.464 20 0 BGADHN CC(C)(C)CCN1CCOc2cc(O)ccc2C1 ZINC000353133156 385588953 /nfs/dbraw/zinc/58/89/53/385588953.db2.gz DSBNMIIUUDZYQQ-UHFFFAOYSA-N 0 3 249.354 3.023 20 0 BGADHN CCC1(C)CCN(Cc2cccc(OC)n2)CC1 ZINC000353136001 387142581 /nfs/dbraw/zinc/14/25/81/387142581.db2.gz HQMTWLFRNAMQLR-UHFFFAOYSA-N 0 3 248.370 3.102 20 0 BGADHN C[C@@H](NCC1CCCC1)c1c(F)cncc1F ZINC000353137682 411179822 /nfs/dbraw/zinc/17/98/22/411179822.db2.gz MOTNSDKZAKBIQF-SECBINFHSA-N 0 3 240.297 3.201 20 0 BGADHN C[C@H](NCC1CCCC1)c1c(F)cncc1F ZINC000353137684 411179831 /nfs/dbraw/zinc/17/98/31/411179831.db2.gz MOTNSDKZAKBIQF-VIFPVBQESA-N 0 3 240.297 3.201 20 0 BGADHN Cc1ccc(C(C)(C)NCc2ccsc2)cn1 ZINC000353138192 387142645 /nfs/dbraw/zinc/14/26/45/387142645.db2.gz YXNHNGHSZIMHRK-UHFFFAOYSA-N 0 3 246.379 3.476 20 0 BGADHN C[C@@H]1CC[C@H]1NCc1coc(-c2ccccc2)n1 ZINC000353138899 176236586 /nfs/dbraw/zinc/23/65/86/176236586.db2.gz NCUVTMLZYUSQIE-BXUZGUMPSA-N 0 3 242.322 3.230 20 0 BGADHN C[C@H]1CC[C@@H]1NCc1coc(-c2ccccc2)n1 ZINC000353138900 177195458 /nfs/dbraw/zinc/19/54/58/177195458.db2.gz NCUVTMLZYUSQIE-FZMZJTMJSA-N 0 3 242.322 3.230 20 0 BGADHN C[C@@H]1CC[C@@H]1NCc1coc(-c2ccccc2)n1 ZINC000353138901 176217148 /nfs/dbraw/zinc/21/71/48/176217148.db2.gz NCUVTMLZYUSQIE-RISCZKNCSA-N 0 3 242.322 3.230 20 0 BGADHN C[C@H]1CC[C@H]1NCc1coc(-c2ccccc2)n1 ZINC000353138902 177207664 /nfs/dbraw/zinc/20/76/64/177207664.db2.gz NCUVTMLZYUSQIE-SMDDNHRTSA-N 0 3 242.322 3.230 20 0 BGADHN Cc1c(CN(C)CCC2CCCCC2)cnn1C ZINC000353148514 385697830 /nfs/dbraw/zinc/69/78/30/385697830.db2.gz YTWSXOFGAKFDKX-UHFFFAOYSA-N 0 3 249.402 3.131 20 0 BGADHN Cc1cccnc1C(C)(C)CNCc1ccco1 ZINC000353155440 179366494 /nfs/dbraw/zinc/36/64/94/179366494.db2.gz QPTUDLJGSRQINN-UHFFFAOYSA-N 0 3 244.338 3.050 20 0 BGADHN Cc1ccc(C(C)(C)NCc2cccs2)cn1 ZINC000353155557 178452247 /nfs/dbraw/zinc/45/22/47/178452247.db2.gz QZSNSYVWMWZNEM-UHFFFAOYSA-N 0 3 246.379 3.476 20 0 BGADHN CC(C)CCCN1CCOc2cc(O)ccc2C1 ZINC000353169438 135167162 /nfs/dbraw/zinc/16/71/62/135167162.db2.gz OSBHSBJFYUBUFU-UHFFFAOYSA-N 0 3 249.354 3.023 20 0 BGADHN COc1c2ccccc2oc1CNC1CCCC1 ZINC000353194815 387153418 /nfs/dbraw/zinc/15/34/18/387153418.db2.gz TVZRYEGZBNZFKH-UHFFFAOYSA-N 0 3 245.322 3.474 20 0 BGADHN COc1c2ccccc2oc1CNCC(C)C ZINC000353195226 387153064 /nfs/dbraw/zinc/15/30/64/387153064.db2.gz USFROKNATIKUQG-UHFFFAOYSA-N 0 3 233.311 3.187 20 0 BGADHN CO[C@H](C)CN(C)Cc1ccc(Cl)cc1C ZINC000353199600 387155407 /nfs/dbraw/zinc/15/54/07/387155407.db2.gz GSNVTARUAPDHFG-LLVKDONJSA-N 0 3 241.762 3.115 20 0 BGADHN CO[C@@H](C)CN(C)Cc1ccc(Cl)cc1C ZINC000353199602 188061049 /nfs/dbraw/zinc/06/10/49/188061049.db2.gz GSNVTARUAPDHFG-NSHDSACASA-N 0 3 241.762 3.115 20 0 BGADHN CCC1(CC)CCC(NCc2nccn2C)CC1 ZINC000353203690 387155320 /nfs/dbraw/zinc/15/53/20/387155320.db2.gz ASEGJGQYVVVZBZ-UHFFFAOYSA-N 0 3 249.402 3.259 20 0 BGADHN CCC1(CC)CCC(NCc2ncc[nH]2)CC1 ZINC000353212261 168455283 /nfs/dbraw/zinc/45/52/83/168455283.db2.gz WZNRBMRSABSISZ-UHFFFAOYSA-N 0 3 235.375 3.248 20 0 BGADHN CO[C@H](C)CN(C)CCSC1CCCCC1 ZINC000353218410 387158084 /nfs/dbraw/zinc/15/80/84/387158084.db2.gz JWGZKENDLUHOIZ-GFCCVEGCSA-N 0 3 245.432 3.019 20 0 BGADHN CO[C@@H](C)CN(C)CCSC1CCCCC1 ZINC000353218411 187207825 /nfs/dbraw/zinc/20/78/25/187207825.db2.gz JWGZKENDLUHOIZ-LBPRGKRZSA-N 0 3 245.432 3.019 20 0 BGADHN CO[C@H](C)CN(C)Cc1ccc2ccccc2c1 ZINC000353219887 386716267 /nfs/dbraw/zinc/71/62/67/386716267.db2.gz NYQIHBAXSOSHPD-CYBMUJFWSA-N 0 3 243.350 3.307 20 0 BGADHN CO[C@@H](C)CN(C)Cc1ccc2ccccc2c1 ZINC000353219888 188043521 /nfs/dbraw/zinc/04/35/21/188043521.db2.gz NYQIHBAXSOSHPD-ZDUSSCGKSA-N 0 3 243.350 3.307 20 0 BGADHN CO[C@H](C)CN(C)Cc1ccc(C2CCC2)cc1 ZINC000353221432 386979866 /nfs/dbraw/zinc/97/98/66/386979866.db2.gz RNGIVGDAKOYYDE-CYBMUJFWSA-N 0 3 247.382 3.421 20 0 BGADHN CO[C@@H](C)CN(C)Cc1ccc(C2CCC2)cc1 ZINC000353221434 386978304 /nfs/dbraw/zinc/97/83/04/386978304.db2.gz RNGIVGDAKOYYDE-ZDUSSCGKSA-N 0 3 247.382 3.421 20 0 BGADHN CCCc1ccc(CN(C)C[C@@H](C)OC)cc1 ZINC000353222135 535416870 /nfs/dbraw/zinc/41/68/70/535416870.db2.gz UJOYPAHMRQNAAG-CYBMUJFWSA-N 0 3 235.371 3.106 20 0 BGADHN CCCc1ccc(CN(C)C[C@H](C)OC)cc1 ZINC000353222136 535415982 /nfs/dbraw/zinc/41/59/82/535415982.db2.gz UJOYPAHMRQNAAG-ZDUSSCGKSA-N 0 3 235.371 3.106 20 0 BGADHN CO[C@H](C)CN(C)Cc1cc2ccccc2s1 ZINC000353224734 387162334 /nfs/dbraw/zinc/16/23/34/387162334.db2.gz ZPFODIACRRMHAZ-LLVKDONJSA-N 0 3 249.379 3.368 20 0 BGADHN CO[C@@H](C)CN(C)Cc1cc2ccccc2s1 ZINC000353224736 387160680 /nfs/dbraw/zinc/16/06/80/387160680.db2.gz ZPFODIACRRMHAZ-NSHDSACASA-N 0 3 249.379 3.368 20 0 BGADHN CCC1(CC)CCC(NCc2cc[nH]n2)CC1 ZINC000353229455 387161929 /nfs/dbraw/zinc/16/19/29/387161929.db2.gz XFYOULNDUJIIJF-UHFFFAOYSA-N 0 3 235.375 3.248 20 0 BGADHN COc1ccc(F)c(CN2CCCC23CCC3)c1 ZINC000353231101 386792790 /nfs/dbraw/zinc/79/27/90/386792790.db2.gz MFFAVPLATGCNFK-UHFFFAOYSA-N 0 3 249.329 3.353 20 0 BGADHN Cc1sccc1CN(C)[C@@H]1CC1(C)C ZINC000353235483 353530744 /nfs/dbraw/zinc/53/07/44/353530744.db2.gz QSUMEUFVIMAUHH-LLVKDONJSA-N 0 3 209.358 3.287 20 0 BGADHN Cc1sccc1CN(C)[C@H]1CC1(C)C ZINC000353235491 353531117 /nfs/dbraw/zinc/53/11/17/353531117.db2.gz QSUMEUFVIMAUHH-NSHDSACASA-N 0 3 209.358 3.287 20 0 BGADHN Cc1nocc1CN(C)[C@H](C)C1CCCCC1 ZINC000353239184 386776446 /nfs/dbraw/zinc/77/64/46/386776446.db2.gz YTHRTFSSYRBKDS-GFCCVEGCSA-N 0 3 236.359 3.384 20 0 BGADHN Cc1nocc1CN(C)[C@@H](C)C1CCCCC1 ZINC000353239185 386775780 /nfs/dbraw/zinc/77/57/80/386775780.db2.gz YTHRTFSSYRBKDS-LBPRGKRZSA-N 0 3 236.359 3.384 20 0 BGADHN CCc1nocc1CN(CC1CCC1)C(C)C ZINC000353239475 172096428 /nfs/dbraw/zinc/09/64/28/172096428.db2.gz WPUFCCDSJYGRGA-UHFFFAOYSA-N 0 3 236.359 3.248 20 0 BGADHN CO[C@@H](C)CN(C)Cc1ccc(CC(C)C)cc1 ZINC000353240510 387164575 /nfs/dbraw/zinc/16/45/75/387164575.db2.gz YHPBQLMRCBZSEW-AWEZNQCLSA-N 0 3 249.398 3.352 20 0 BGADHN CO[C@H](C)CN(C)Cc1ccc(CC(C)C)cc1 ZINC000353240512 387164018 /nfs/dbraw/zinc/16/40/18/387164018.db2.gz YHPBQLMRCBZSEW-CQSZACIVSA-N 0 3 249.398 3.352 20 0 BGADHN Cc1cc([C@@H](C)NCC2(C3CC3)CCC2)no1 ZINC000353253948 178223167 /nfs/dbraw/zinc/22/31/67/178223167.db2.gz LSDVLGRRGQPDRI-LLVKDONJSA-N 0 3 234.343 3.214 20 0 BGADHN Cc1cc([C@H](C)NCC2(C3CC3)CCC2)no1 ZINC000353253952 178246607 /nfs/dbraw/zinc/24/66/07/178246607.db2.gz LSDVLGRRGQPDRI-NSHDSACASA-N 0 3 234.343 3.214 20 0 BGADHN CCc1nocc1CN1CCCC2(CCC2)C1 ZINC000353256110 172097451 /nfs/dbraw/zinc/09/74/51/172097451.db2.gz GYHJQZCGRJNBON-UHFFFAOYSA-N 0 3 234.343 3.003 20 0 BGADHN CC1CN(Cc2ccc(C3CCC3)cc2)C1 ZINC000353261804 168189741 /nfs/dbraw/zinc/18/97/41/168189741.db2.gz QVZCDBGUSNNATN-UHFFFAOYSA-N 0 3 215.340 3.406 20 0 BGADHN CCc1nocc1CN(C)[C@@H]1CCC(C)(C)C1 ZINC000353267972 172095851 /nfs/dbraw/zinc/09/58/51/172095851.db2.gz PDDCXTYGRXWBSB-GFCCVEGCSA-N 0 3 236.359 3.248 20 0 BGADHN CCc1nocc1CN(C)[C@H]1CCC(C)(C)C1 ZINC000353267973 172095859 /nfs/dbraw/zinc/09/58/59/172095859.db2.gz PDDCXTYGRXWBSB-LBPRGKRZSA-N 0 3 236.359 3.248 20 0 BGADHN CC[C@H](C)NCc1oc2ccccc2c1OC ZINC000353276415 171344426 /nfs/dbraw/zinc/34/44/26/171344426.db2.gz LWYVXQYKEGPXJK-JTQLQIEISA-N 0 3 233.311 3.330 20 0 BGADHN CC[C@@H](C)NCc1oc2ccccc2c1OC ZINC000353276416 387171066 /nfs/dbraw/zinc/17/10/66/387171066.db2.gz LWYVXQYKEGPXJK-SNVBAGLBSA-N 0 3 233.311 3.330 20 0 BGADHN Cc1nccc(CN2CCC[C@@H](C(C)(C)C)C2)n1 ZINC000353281951 180183185 /nfs/dbraw/zinc/18/31/85/180183185.db2.gz DXKKDYSZLXKTNW-CYBMUJFWSA-N 0 3 247.386 3.043 20 0 BGADHN Cc1nccc(CN2CCC[C@H](C(C)(C)C)C2)n1 ZINC000353281952 180184108 /nfs/dbraw/zinc/18/41/08/180184108.db2.gz DXKKDYSZLXKTNW-ZDUSSCGKSA-N 0 3 247.386 3.043 20 0 BGADHN CCc1nocc1CN(CC1CC1)C1CCC1 ZINC000353282485 172095576 /nfs/dbraw/zinc/09/55/76/172095576.db2.gz JMKOJIXQLSLKNP-UHFFFAOYSA-N 0 3 234.343 3.002 20 0 BGADHN Cc1ccc(CN2CCS[C@H](C)C2)c(C)c1 ZINC000353284604 387171468 /nfs/dbraw/zinc/17/14/68/387171468.db2.gz VKMCGJKJSLBBQK-CYBMUJFWSA-N 0 3 235.396 3.241 20 0 BGADHN Cc1nocc1CN1CCC[C@@H](C(C)(C)C)C1 ZINC000353284730 387174591 /nfs/dbraw/zinc/17/45/91/387174591.db2.gz WURYMMVBNBCXRQ-CYBMUJFWSA-N 0 3 236.359 3.241 20 0 BGADHN Cc1nocc1CN1CCC[C@H](C(C)(C)C)C1 ZINC000353284733 387172928 /nfs/dbraw/zinc/17/29/28/387172928.db2.gz WURYMMVBNBCXRQ-ZDUSSCGKSA-N 0 3 236.359 3.241 20 0 BGADHN C[C@@H]1CN(Cc2ccc3c(c2)CCC3)CCS1 ZINC000353285613 176305048 /nfs/dbraw/zinc/30/50/48/176305048.db2.gz ZTKFOYXXNDKJOB-GFCCVEGCSA-N 0 3 247.407 3.113 20 0 BGADHN COc1cccc(CN2CCC[C@@H]2C(C)(C)C)n1 ZINC000353299504 175258553 /nfs/dbraw/zinc/25/85/53/175258553.db2.gz ZUPHYQQFRTZUQB-CYBMUJFWSA-N 0 3 248.370 3.101 20 0 BGADHN COc1cccc(CN2CCC[C@H]2C(C)(C)C)n1 ZINC000353299505 175258465 /nfs/dbraw/zinc/25/84/65/175258465.db2.gz ZUPHYQQFRTZUQB-ZDUSSCGKSA-N 0 3 248.370 3.101 20 0 BGADHN CCOc1cccc(CN2[C@H](C)CCC[C@@H]2C)n1 ZINC000353308557 387176307 /nfs/dbraw/zinc/17/63/07/387176307.db2.gz NXIUZXCQLGSFNO-BETUJISGSA-N 0 3 248.370 3.243 20 0 BGADHN CCOc1cccc(CN2[C@H](C)CCC[C@H]2C)n1 ZINC000353308558 386661911 /nfs/dbraw/zinc/66/19/11/386661911.db2.gz NXIUZXCQLGSFNO-CHWSQXEVSA-N 0 3 248.370 3.243 20 0 BGADHN CCOc1cccc(CN2[C@@H](C)CCC[C@@H]2C)n1 ZINC000353308559 386662143 /nfs/dbraw/zinc/66/21/43/386662143.db2.gz NXIUZXCQLGSFNO-STQMWFEESA-N 0 3 248.370 3.243 20 0 BGADHN CC[C@H](C)[C@H](C)N(Cc1cnc(C)cn1)C1CC1 ZINC000353311394 171386348 /nfs/dbraw/zinc/38/63/48/171386348.db2.gz UXIOMXQNBCXUEK-AAEUAGOBSA-N 0 3 247.386 3.184 20 0 BGADHN CC[C@@H](C)[C@@H](C)N(Cc1cnc(C)cn1)C1CC1 ZINC000353311396 387179114 /nfs/dbraw/zinc/17/91/14/387179114.db2.gz UXIOMXQNBCXUEK-DGCLKSJQSA-N 0 3 247.386 3.184 20 0 BGADHN CC[C@H](C)[C@@H](C)N(Cc1cnc(C)cn1)C1CC1 ZINC000353311405 171361618 /nfs/dbraw/zinc/36/16/18/171361618.db2.gz UXIOMXQNBCXUEK-WCQYABFASA-N 0 3 247.386 3.184 20 0 BGADHN CC[C@@H](C)[C@H](C)N(Cc1cnc(C)cn1)C1CC1 ZINC000353311409 387178359 /nfs/dbraw/zinc/17/83/59/387178359.db2.gz UXIOMXQNBCXUEK-YPMHNXCESA-N 0 3 247.386 3.184 20 0 BGADHN COc1c2ccccc2oc1CN[C@@H](C)C1CC1 ZINC000353313790 187372989 /nfs/dbraw/zinc/37/29/89/187372989.db2.gz BNMYYPNLMUURHN-JTQLQIEISA-N 0 3 245.322 3.330 20 0 BGADHN COc1c2ccccc2oc1CN[C@H](C)C1CC1 ZINC000353313792 387178271 /nfs/dbraw/zinc/17/82/71/387178271.db2.gz BNMYYPNLMUURHN-SNVBAGLBSA-N 0 3 245.322 3.330 20 0 BGADHN CC(C)n1ccc(CN[C@H]2CCC23CCCC3)n1 ZINC000353321328 387180221 /nfs/dbraw/zinc/18/02/21/387180221.db2.gz IEIJIXLBMHFZPM-AWEZNQCLSA-N 0 3 247.386 3.276 20 0 BGADHN CC(C)n1ccc(CN[C@@H]2CCC23CCCC3)n1 ZINC000353321329 387181207 /nfs/dbraw/zinc/18/12/07/387181207.db2.gz IEIJIXLBMHFZPM-CQSZACIVSA-N 0 3 247.386 3.276 20 0 BGADHN CCc1cccc(F)c1CN(CC)CC ZINC000353351589 387187632 /nfs/dbraw/zinc/18/76/32/387187632.db2.gz JHBCXJHXLFZIDD-UHFFFAOYSA-N 0 3 209.308 3.230 20 0 BGADHN COc1c2ccccc2oc1CNC1CC(C)C1 ZINC000353352819 387187106 /nfs/dbraw/zinc/18/71/06/387187106.db2.gz ZLSNQAVQZNQCAL-UHFFFAOYSA-N 0 3 245.322 3.330 20 0 BGADHN CCN(CC)Cc1ccnn1-c1ccccc1C ZINC000353360127 387186960 /nfs/dbraw/zinc/18/69/60/387186960.db2.gz XSTHAXQRPZVTFD-UHFFFAOYSA-N 0 3 243.354 3.023 20 0 BGADHN CCc1cccc(F)c1CN(C)C(C)C ZINC000353361461 387188319 /nfs/dbraw/zinc/18/83/19/387188319.db2.gz AKEQWVISSFQACG-UHFFFAOYSA-N 0 3 209.308 3.228 20 0 BGADHN Cc1ccncc1CN(C)CC1CCCCC1 ZINC000353375866 187209431 /nfs/dbraw/zinc/20/94/31/187209431.db2.gz BGVLARJTOUZEDT-UHFFFAOYSA-N 0 3 232.371 3.402 20 0 BGADHN CCCN(C)Cc1ccnn1-c1ccccc1C ZINC000353375877 169080190 /nfs/dbraw/zinc/08/01/90/169080190.db2.gz BLUVBRBXCQBTDV-UHFFFAOYSA-N 0 3 243.354 3.023 20 0 BGADHN Cc1ccc(CCCN(C)Cc2ccco2)cn1 ZINC000353384521 387192339 /nfs/dbraw/zinc/19/23/39/387192339.db2.gz SEIUHJRYVMSGPB-UHFFFAOYSA-N 0 3 244.338 3.048 20 0 BGADHN c1c[nH]c([C@@H](NCC2CCC2)C2CCCCC2)n1 ZINC000353385671 183326940 /nfs/dbraw/zinc/32/69/40/183326940.db2.gz KOGGVPABSHVFET-AWEZNQCLSA-N 0 3 247.386 3.421 20 0 BGADHN c1c[nH]c([C@H](NCC2CCC2)C2CCCCC2)n1 ZINC000353385672 183328122 /nfs/dbraw/zinc/32/81/22/183328122.db2.gz KOGGVPABSHVFET-CQSZACIVSA-N 0 3 247.386 3.421 20 0 BGADHN CC(C)CC1(CN[C@H](C)c2ncc[nH]2)CCC1 ZINC000353409263 538739069 /nfs/dbraw/zinc/73/90/69/538739069.db2.gz WFHPUXDHMUMWSK-GFCCVEGCSA-N 0 3 235.375 3.277 20 0 BGADHN CC(C)CC1(CN[C@@H](C)c2ncc[nH]2)CCC1 ZINC000353409264 538741294 /nfs/dbraw/zinc/74/12/94/538741294.db2.gz WFHPUXDHMUMWSK-LBPRGKRZSA-N 0 3 235.375 3.277 20 0 BGADHN CCC1CCC(N(C)Cc2cc(C)no2)CC1 ZINC000353433655 398328751 /nfs/dbraw/zinc/32/87/51/398328751.db2.gz HGXQHPGRRFWONJ-UHFFFAOYSA-N 0 3 236.359 3.384 20 0 BGADHN Cc1ccc(CN2CCC(C)(C)CC2)nc1 ZINC000353434509 387203214 /nfs/dbraw/zinc/20/32/14/387203214.db2.gz JROKHVOZOLUGMT-UHFFFAOYSA-N 0 3 218.344 3.012 20 0 BGADHN CC1(C)CCN(Cc2cccc3c2OCO3)CC1 ZINC000353436027 387201292 /nfs/dbraw/zinc/20/12/92/387201292.db2.gz ATRLFTQNMIHDKD-UHFFFAOYSA-N 0 3 247.338 3.037 20 0 BGADHN Cc1ccc([O-])c(C[N@H+]2CCC[C@H]2C(C)(C)C)n1 ZINC000353436212 387201704 /nfs/dbraw/zinc/20/17/04/387201704.db2.gz OLKPGMHYFUZGEW-AWEZNQCLSA-N 0 3 248.370 3.106 20 0 BGADHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@H]2C(C)(C)C)n1 ZINC000353436212 387201698 /nfs/dbraw/zinc/20/16/98/387201698.db2.gz OLKPGMHYFUZGEW-AWEZNQCLSA-N 0 3 248.370 3.106 20 0 BGADHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@H]2C(C)(C)C)n1 ZINC000353436213 387201821 /nfs/dbraw/zinc/20/18/21/387201821.db2.gz OLKPGMHYFUZGEW-CQSZACIVSA-N 0 3 248.370 3.106 20 0 BGADHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H]2C(C)(C)C)n1 ZINC000353436213 387201818 /nfs/dbraw/zinc/20/18/18/387201818.db2.gz OLKPGMHYFUZGEW-CQSZACIVSA-N 0 3 248.370 3.106 20 0 BGADHN CCn1nc(C)c(CN2CCC(C)(C)CC2)c1C ZINC000353436507 172244922 /nfs/dbraw/zinc/24/49/22/172244922.db2.gz CFFPENUOJSPYFU-UHFFFAOYSA-N 0 3 249.402 3.142 20 0 BGADHN COCCN[C@H](C)c1cccc(CC(C)C)c1 ZINC000353439230 174339758 /nfs/dbraw/zinc/33/97/58/174339758.db2.gz IGZXXXYJAVLKGR-CYBMUJFWSA-N 0 3 235.371 3.182 20 0 BGADHN COCCN[C@@H](C)c1cccc(CC(C)C)c1 ZINC000353439237 174338479 /nfs/dbraw/zinc/33/84/79/174338479.db2.gz IGZXXXYJAVLKGR-ZDUSSCGKSA-N 0 3 235.371 3.182 20 0 BGADHN Cc1ccc(CN2CCC(C)(C)CC2)o1 ZINC000353439272 387201917 /nfs/dbraw/zinc/20/19/17/387201917.db2.gz IMCIPIURAKMKHP-UHFFFAOYSA-N 0 3 207.317 3.210 20 0 BGADHN CCc1ncc(CN2CCC(C)(C)CC2)s1 ZINC000353439853 187209446 /nfs/dbraw/zinc/20/94/46/187209446.db2.gz JWFKEGDVTVTDBW-UHFFFAOYSA-N 0 3 238.400 3.328 20 0 BGADHN Cc1csc(CN2CCC[C@@H]2C(C)(C)C)n1 ZINC000353440046 387203071 /nfs/dbraw/zinc/20/30/71/387203071.db2.gz YKMXSHJDAPJUHM-LLVKDONJSA-N 0 3 238.400 3.462 20 0 BGADHN Cc1csc(CN2CCC[C@H]2C(C)(C)C)n1 ZINC000353440047 387202244 /nfs/dbraw/zinc/20/22/44/387202244.db2.gz YKMXSHJDAPJUHM-NSHDSACASA-N 0 3 238.400 3.462 20 0 BGADHN COc1ccsc1CN1CCC(C)(C)CC1 ZINC000353440536 175376983 /nfs/dbraw/zinc/37/69/83/175376983.db2.gz KWMUYPBBNWPRTQ-UHFFFAOYSA-N 0 3 239.384 3.379 20 0 BGADHN Cc1ccncc1CN(C)[C@H](C)CC(C)C ZINC000353440933 387201010 /nfs/dbraw/zinc/20/10/10/387201010.db2.gz QYMOVBUYXKHHRG-CYBMUJFWSA-N 0 3 220.360 3.256 20 0 BGADHN Cc1ccncc1CN(C)[C@@H](C)CC(C)C ZINC000353440934 387202230 /nfs/dbraw/zinc/20/22/30/387202230.db2.gz QYMOVBUYXKHHRG-ZDUSSCGKSA-N 0 3 220.360 3.256 20 0 BGADHN CC(C)n1cc(CN2CCC[C@H]2C(C)(C)C)cn1 ZINC000353441322 387202272 /nfs/dbraw/zinc/20/22/72/387202272.db2.gz MLFYSDKUHGVBNU-AWEZNQCLSA-N 0 3 249.402 3.475 20 0 BGADHN CC(C)n1cc(CN2CCC[C@@H]2C(C)(C)C)cn1 ZINC000353441323 167744726 /nfs/dbraw/zinc/74/47/26/167744726.db2.gz MLFYSDKUHGVBNU-CQSZACIVSA-N 0 3 249.402 3.475 20 0 BGADHN COCc1ccc(CN2CCC(C)(C)CC2)o1 ZINC000353443757 387201275 /nfs/dbraw/zinc/20/12/75/387201275.db2.gz SVUPGQODUFEGHG-UHFFFAOYSA-N 0 3 237.343 3.048 20 0 BGADHN CCCn1cc(CN2CCC[C@H]2C(C)(C)C)cn1 ZINC000353447508 387204681 /nfs/dbraw/zinc/20/46/81/387204681.db2.gz MLVLZQIBCVLTRT-AWEZNQCLSA-N 0 3 249.402 3.304 20 0 BGADHN CCCn1cc(CN2CCC[C@@H]2C(C)(C)C)cn1 ZINC000353447509 387203757 /nfs/dbraw/zinc/20/37/57/387203757.db2.gz MLVLZQIBCVLTRT-CQSZACIVSA-N 0 3 249.402 3.304 20 0 BGADHN CCc1cccc(F)c1CN(CC)C1CC1 ZINC000353449506 387204234 /nfs/dbraw/zinc/20/42/34/387204234.db2.gz NCCYPLMTUWSBAH-UHFFFAOYSA-N 0 3 221.319 3.372 20 0 BGADHN CCOc1cccc(CN2CCC(C)(C)CC2)n1 ZINC000353453124 387203925 /nfs/dbraw/zinc/20/39/25/387203925.db2.gz DAOOTGCPPYQZHB-UHFFFAOYSA-N 0 3 248.370 3.102 20 0 BGADHN CCc1ccc(CN2CCC(C)(C)CC2)o1 ZINC000353454255 385687436 /nfs/dbraw/zinc/68/74/36/385687436.db2.gz IZFVCADWCZDSKG-UHFFFAOYSA-N 0 3 221.344 3.464 20 0 BGADHN Cc1ccc(CCCN(C)Cc2ccoc2)cn1 ZINC000353457360 385721281 /nfs/dbraw/zinc/72/12/81/385721281.db2.gz GPBGUGLWGXBZMB-UHFFFAOYSA-N 0 3 244.338 3.048 20 0 BGADHN CC(C)n1cc(CN2CCC(C)(C)CC2)cn1 ZINC000353457383 134163992 /nfs/dbraw/zinc/16/39/92/134163992.db2.gz YQLHOJINYKPGES-UHFFFAOYSA-N 0 3 235.375 3.086 20 0 BGADHN Cc1ncccc1CN1CCC(C)(C)CC1 ZINC000353458345 180219090 /nfs/dbraw/zinc/21/90/90/180219090.db2.gz BZEXNWNZVREDNV-UHFFFAOYSA-N 0 3 218.344 3.012 20 0 BGADHN CC1(C)CCN(Cc2ccsc2)CC1 ZINC000353459050 351923170 /nfs/dbraw/zinc/92/31/70/351923170.db2.gz FXNXPPACMQVNMW-UHFFFAOYSA-N 0 3 209.358 3.370 20 0 BGADHN CCOCCN[C@@H](CCC(C)C)c1ccoc1 ZINC000353460085 387206295 /nfs/dbraw/zinc/20/62/95/387206295.db2.gz BDQAPBOCDPBBPP-AWEZNQCLSA-N 0 3 239.359 3.383 20 0 BGADHN CCOCCN[C@H](CCC(C)C)c1ccoc1 ZINC000353460086 387208456 /nfs/dbraw/zinc/20/84/56/387208456.db2.gz BDQAPBOCDPBBPP-CQSZACIVSA-N 0 3 239.359 3.383 20 0 BGADHN CC(C)n1cc(CN2CCCCC[C@H]2C)cn1 ZINC000353460482 398328769 /nfs/dbraw/zinc/32/87/69/398328769.db2.gz CDYFSMCIHSUBTF-CYBMUJFWSA-N 0 3 235.375 3.229 20 0 BGADHN CC(C)n1cc(CN2CCCCC[C@@H]2C)cn1 ZINC000353460483 387208353 /nfs/dbraw/zinc/20/83/53/387208353.db2.gz CDYFSMCIHSUBTF-ZDUSSCGKSA-N 0 3 235.375 3.229 20 0 BGADHN Cc1sccc1CN1CC(C2CCC2)C1 ZINC000353461712 385764368 /nfs/dbraw/zinc/76/43/68/385764368.db2.gz NLFYSIRRVMFCQB-UHFFFAOYSA-N 0 3 221.369 3.288 20 0 BGADHN C[C@@H]1CCCCCN1Cc1cnc2ccccn12 ZINC000353462758 176062842 /nfs/dbraw/zinc/06/28/42/176062842.db2.gz KFHOZOSBUHSCMY-CYBMUJFWSA-N 0 3 243.354 3.099 20 0 BGADHN C[C@H]1CCCCCN1Cc1cnc2ccccn12 ZINC000353462760 177070132 /nfs/dbraw/zinc/07/01/32/177070132.db2.gz KFHOZOSBUHSCMY-ZDUSSCGKSA-N 0 3 243.354 3.099 20 0 BGADHN CC(C)(C)n1cc(CN2CCC(C)(C)CC2)cn1 ZINC000353464009 398069344 /nfs/dbraw/zinc/06/93/44/398069344.db2.gz SWQMSOUUUUPKPC-UHFFFAOYSA-N 0 3 249.402 3.260 20 0 BGADHN Cc1ccoc1CN1CCC(C)(C)CC1 ZINC000353464021 387206591 /nfs/dbraw/zinc/20/65/91/387206591.db2.gz TVIMOCMMHFPJPE-UHFFFAOYSA-N 0 3 207.317 3.210 20 0 BGADHN C[C@@H](NCCCC1CCCCC1)c1ncc[nH]1 ZINC000353464611 538744596 /nfs/dbraw/zinc/74/45/96/538744596.db2.gz RAVDXYVCXBJAHE-GFCCVEGCSA-N 0 3 235.375 3.421 20 0 BGADHN C[C@H](NCCCC1CCCCC1)c1ncc[nH]1 ZINC000353464612 538743049 /nfs/dbraw/zinc/74/30/49/538743049.db2.gz RAVDXYVCXBJAHE-LBPRGKRZSA-N 0 3 235.375 3.421 20 0 BGADHN C[C@@H]1CCCCCN1Cc1nc2ccccc2[nH]1 ZINC000353464978 176064110 /nfs/dbraw/zinc/06/41/10/176064110.db2.gz RWSLMLOMPNYTBE-GFCCVEGCSA-N 0 3 243.354 3.327 20 0 BGADHN C[C@H]1CCCCCN1Cc1nc2ccccc2[nH]1 ZINC000353464979 177070523 /nfs/dbraw/zinc/07/05/23/177070523.db2.gz RWSLMLOMPNYTBE-LBPRGKRZSA-N 0 3 243.354 3.327 20 0 BGADHN COc1cc(CN(C)CC=C(C)C)cc(OC)c1 ZINC000353465236 387206120 /nfs/dbraw/zinc/20/61/20/387206120.db2.gz WMSDDBGCTNXFGS-UHFFFAOYSA-N 0 3 249.354 3.102 20 0 BGADHN C[C@@H](NCC(C)(C)c1ccccc1)c1ncc[nH]1 ZINC000353465296 642844364 /nfs/dbraw/zinc/84/43/64/642844364.db2.gz XDJXNQQVUCOQMR-GFCCVEGCSA-N 0 3 243.354 3.038 20 0 BGADHN C[C@H](NCC(C)(C)c1ccccc1)c1ncc[nH]1 ZINC000353465297 642844811 /nfs/dbraw/zinc/84/48/11/642844811.db2.gz XDJXNQQVUCOQMR-LBPRGKRZSA-N 0 3 243.354 3.038 20 0 BGADHN COc1ccccc1CN1CCC(C)(C)CC1 ZINC000353465611 175325960 /nfs/dbraw/zinc/32/59/60/175325960.db2.gz YTQBWUWJVYSVQM-UHFFFAOYSA-N 0 3 233.355 3.317 20 0 BGADHN Cc1cccc(CN2CCSC[C@H]2C)c1C ZINC000353466599 179078269 /nfs/dbraw/zinc/07/82/69/179078269.db2.gz ZVYTXBVYUNZWDI-GFCCVEGCSA-N 0 3 235.396 3.241 20 0 BGADHN Cc1cccc(CN2CCSC[C@@H]2C)c1C ZINC000353466600 179080116 /nfs/dbraw/zinc/08/01/16/179080116.db2.gz ZVYTXBVYUNZWDI-LBPRGKRZSA-N 0 3 235.396 3.241 20 0 BGADHN Cc1ccc(CN2CCSC[C@H]2C)cc1C ZINC000353468377 387207685 /nfs/dbraw/zinc/20/76/85/387207685.db2.gz ADUFUIHVHPADSC-CYBMUJFWSA-N 0 3 235.396 3.241 20 0 BGADHN Cc1ccc(CN2CCSC[C@@H]2C)cc1C ZINC000353468379 387207739 /nfs/dbraw/zinc/20/77/39/387207739.db2.gz ADUFUIHVHPADSC-ZDUSSCGKSA-N 0 3 235.396 3.241 20 0 BGADHN C[C@@H]1CSCCN1Cc1ccc2c(c1)CCC2 ZINC000353469838 176351726 /nfs/dbraw/zinc/35/17/26/176351726.db2.gz JZRPPJWXLPXSAJ-GFCCVEGCSA-N 0 3 247.407 3.113 20 0 BGADHN C[C@H]1CSCCN1Cc1ccc2c(c1)CCC2 ZINC000353469839 177304818 /nfs/dbraw/zinc/30/48/18/177304818.db2.gz JZRPPJWXLPXSAJ-LBPRGKRZSA-N 0 3 247.407 3.113 20 0 BGADHN C[C@@H]1CCCCCN1Cc1cnn(C(C)(C)C)c1 ZINC000353470398 176063761 /nfs/dbraw/zinc/06/37/61/176063761.db2.gz KTAKFQPCBSCTNF-CYBMUJFWSA-N 0 3 249.402 3.403 20 0 BGADHN C[C@H]1CCCCCN1Cc1cnn(C(C)(C)C)c1 ZINC000353470399 177069745 /nfs/dbraw/zinc/06/97/45/177069745.db2.gz KTAKFQPCBSCTNF-ZDUSSCGKSA-N 0 3 249.402 3.403 20 0 BGADHN C[C@@H]1CSCCN1Cc1cccc2cc[nH]c21 ZINC000353470697 176351630 /nfs/dbraw/zinc/35/16/30/176351630.db2.gz JMNSLMSKLYKDHK-LLVKDONJSA-N 0 3 246.379 3.105 20 0 BGADHN C[C@H]1CSCCN1Cc1cccc2cc[nH]c21 ZINC000353470698 177305130 /nfs/dbraw/zinc/30/51/30/177305130.db2.gz JMNSLMSKLYKDHK-NSHDSACASA-N 0 3 246.379 3.105 20 0 BGADHN Cc1ccc(CN2CCSC[C@H]2C)c(C)c1 ZINC000353476923 387210626 /nfs/dbraw/zinc/21/06/26/387210626.db2.gz ZKGYCYPRTOOXMQ-CYBMUJFWSA-N 0 3 235.396 3.241 20 0 BGADHN Cc1ccc(CN2CCSC[C@@H]2C)c(C)c1 ZINC000353476924 387210839 /nfs/dbraw/zinc/21/08/39/387210839.db2.gz ZKGYCYPRTOOXMQ-ZDUSSCGKSA-N 0 3 235.396 3.241 20 0 BGADHN Cc1ccc(C)c(CN2CCSC[C@H]2C)c1 ZINC000353483271 387212712 /nfs/dbraw/zinc/21/27/12/387212712.db2.gz QTMGZTOIGWKCJQ-CYBMUJFWSA-N 0 3 235.396 3.241 20 0 BGADHN Cc1ccc(C)c(CN2CCSC[C@@H]2C)c1 ZINC000353483272 387212675 /nfs/dbraw/zinc/21/26/75/387212675.db2.gz QTMGZTOIGWKCJQ-ZDUSSCGKSA-N 0 3 235.396 3.241 20 0 BGADHN C[C@@H]1CCCCCN1Cc1cccc2c1OCO2 ZINC000353488938 176063921 /nfs/dbraw/zinc/06/39/21/176063921.db2.gz AFNIJPUGBNOWME-GFCCVEGCSA-N 0 3 247.338 3.180 20 0 BGADHN C[C@H]1CCCCCN1Cc1cccc2c1OCO2 ZINC000353488939 177069950 /nfs/dbraw/zinc/06/99/50/177069950.db2.gz AFNIJPUGBNOWME-LBPRGKRZSA-N 0 3 247.338 3.180 20 0 BGADHN CCOc1cccc(CN2CCCCC[C@H]2C)n1 ZINC000353489496 387216453 /nfs/dbraw/zinc/21/64/53/387216453.db2.gz CECBCSFOQHAEMT-CYBMUJFWSA-N 0 3 248.370 3.245 20 0 BGADHN CCOc1cccc(CN2CCCCC[C@@H]2C)n1 ZINC000353489497 387216592 /nfs/dbraw/zinc/21/65/92/387216592.db2.gz CECBCSFOQHAEMT-ZDUSSCGKSA-N 0 3 248.370 3.245 20 0 BGADHN C[C@@H]1CCCCCN1Cc1cn2ccccc2n1 ZINC000353493087 176064073 /nfs/dbraw/zinc/06/40/73/176064073.db2.gz RJSULHACWPLHMU-CYBMUJFWSA-N 0 3 243.354 3.099 20 0 BGADHN C[C@H]1CCCCCN1Cc1cn2ccccc2n1 ZINC000353493089 177070059 /nfs/dbraw/zinc/07/00/59/177070059.db2.gz RJSULHACWPLHMU-ZDUSSCGKSA-N 0 3 243.354 3.099 20 0 BGADHN CCCn1cc(CN2CCCCC[C@H]2C)cn1 ZINC000353493298 387216509 /nfs/dbraw/zinc/21/65/09/387216509.db2.gz SFFAFGHMELTQBH-CYBMUJFWSA-N 0 3 235.375 3.058 20 0 BGADHN CCCn1cc(CN2CCCCC[C@@H]2C)cn1 ZINC000353493299 387215128 /nfs/dbraw/zinc/21/51/28/387215128.db2.gz SFFAFGHMELTQBH-ZDUSSCGKSA-N 0 3 235.375 3.058 20 0 BGADHN CO[C@H](C)CN(C)Cc1cc(C)cc(Cl)c1 ZINC000353497104 387214983 /nfs/dbraw/zinc/21/49/83/387214983.db2.gz BVMOFUIHMRBHQG-LLVKDONJSA-N 0 3 241.762 3.115 20 0 BGADHN CO[C@@H](C)CN(C)Cc1cc(C)cc(Cl)c1 ZINC000353497105 187373265 /nfs/dbraw/zinc/37/32/65/187373265.db2.gz BVMOFUIHMRBHQG-NSHDSACASA-N 0 3 241.762 3.115 20 0 BGADHN CCc1ccc(CN2CCSC[C@H]2C)cc1 ZINC000353499892 387215470 /nfs/dbraw/zinc/21/54/70/387215470.db2.gz DUKSKGDOJPQGJY-GFCCVEGCSA-N 0 3 235.396 3.186 20 0 BGADHN CCc1ccc(CN2CCSC[C@@H]2C)cc1 ZINC000353499893 387214862 /nfs/dbraw/zinc/21/48/62/387214862.db2.gz DUKSKGDOJPQGJY-LBPRGKRZSA-N 0 3 235.396 3.186 20 0 BGADHN CCCC[C@@H]1CCC[C@H]1N[C@H](C)c1ncc[nH]1 ZINC000353500058 538746688 /nfs/dbraw/zinc/74/66/88/538746688.db2.gz FLTMFGWWIZLKAV-JHJVBQTASA-N 0 3 235.375 3.419 20 0 BGADHN CCCC[C@@H]1CCC[C@@H]1N[C@H](C)c1ncc[nH]1 ZINC000353500059 538745829 /nfs/dbraw/zinc/74/58/29/538745829.db2.gz FLTMFGWWIZLKAV-UPJWGTAASA-N 0 3 235.375 3.419 20 0 BGADHN CCCC[C@@H]1CCC[C@@H]1N[C@@H](C)c1ncc[nH]1 ZINC000353500060 538747474 /nfs/dbraw/zinc/74/74/74/538747474.db2.gz FLTMFGWWIZLKAV-XQQFMLRXSA-N 0 3 235.375 3.419 20 0 BGADHN CCCC[C@@H]1CCC[C@H]1N[C@@H](C)c1ncc[nH]1 ZINC000353500061 538747412 /nfs/dbraw/zinc/74/74/12/538747412.db2.gz FLTMFGWWIZLKAV-YNEHKIRRSA-N 0 3 235.375 3.419 20 0 BGADHN COCc1ccc(CN2CCCCC[C@H]2C)o1 ZINC000353507180 387219167 /nfs/dbraw/zinc/21/91/67/387219167.db2.gz NXPXJWICVCCATP-GFCCVEGCSA-N 0 3 237.343 3.191 20 0 BGADHN COCc1ccc(CN2CCCCC[C@@H]2C)o1 ZINC000353507182 387218604 /nfs/dbraw/zinc/21/86/04/387218604.db2.gz NXPXJWICVCCATP-LBPRGKRZSA-N 0 3 237.343 3.191 20 0 BGADHN C[C@H](N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1ncc[nH]1 ZINC000353510947 538745974 /nfs/dbraw/zinc/74/59/74/538745974.db2.gz ATHAGBRHDNSGMK-QNWHQSFQSA-N 0 3 233.359 3.029 20 0 BGADHN C[C@H](N[C@@H]1CC[C@H]2CCC[C@@H]2C1)c1ncc[nH]1 ZINC000353510948 538746520 /nfs/dbraw/zinc/74/65/20/538746520.db2.gz ATHAGBRHDNSGMK-UMSGYPCISA-N 0 3 233.359 3.029 20 0 BGADHN C[C@H](N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1ncc[nH]1 ZINC000353510949 538747169 /nfs/dbraw/zinc/74/71/69/538747169.db2.gz ATHAGBRHDNSGMK-WUHRBBMRSA-N 0 3 233.359 3.029 20 0 BGADHN C[C@H](N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1ncc[nH]1 ZINC000353510950 538746585 /nfs/dbraw/zinc/74/65/85/538746585.db2.gz ATHAGBRHDNSGMK-ZDEQEGDKSA-N 0 3 233.359 3.029 20 0 BGADHN C[C@H](NCC[C@@H]1CCCC[C@H]1C)c1ncc[nH]1 ZINC000353511507 538746708 /nfs/dbraw/zinc/74/67/08/538746708.db2.gz BRRMVGMVBQIHBZ-AGIUHOORSA-N 0 3 235.375 3.277 20 0 BGADHN C[C@H](NCC[C@@H]1CCCC[C@@H]1C)c1ncc[nH]1 ZINC000353511510 538746949 /nfs/dbraw/zinc/74/69/49/538746949.db2.gz BRRMVGMVBQIHBZ-AVGNSLFASA-N 0 3 235.375 3.277 20 0 BGADHN C[C@H](NCC[C@H]1CCCC[C@H]1C)c1ncc[nH]1 ZINC000353511513 538746402 /nfs/dbraw/zinc/74/64/02/538746402.db2.gz BRRMVGMVBQIHBZ-FRRDWIJNSA-N 0 3 235.375 3.277 20 0 BGADHN C[C@H](NCC[C@H]1CCCC[C@@H]1C)c1ncc[nH]1 ZINC000353511516 538746882 /nfs/dbraw/zinc/74/68/82/538746882.db2.gz BRRMVGMVBQIHBZ-RWMBFGLXSA-N 0 3 235.375 3.277 20 0 BGADHN CC(C)Cn1ccnc1CN[C@H]1CC[C@H]1C(C)C ZINC000353512536 538747216 /nfs/dbraw/zinc/74/72/16/538747216.db2.gz DNNAHDBDLMVTEL-KBPBESRZSA-N 0 3 249.402 3.063 20 0 BGADHN CC(C)Cn1ccnc1CN[C@H]1CC[C@@H]1C(C)C ZINC000353512537 538746874 /nfs/dbraw/zinc/74/68/74/538746874.db2.gz DNNAHDBDLMVTEL-KGLIPLIRSA-N 0 3 249.402 3.063 20 0 BGADHN CC(C)Cn1ccnc1CN[C@@H]1CC[C@H]1C(C)C ZINC000353512538 538746858 /nfs/dbraw/zinc/74/68/58/538746858.db2.gz DNNAHDBDLMVTEL-UONOGXRCSA-N 0 3 249.402 3.063 20 0 BGADHN CC(C)Cn1ccnc1CN[C@@H]1CC[C@@H]1C(C)C ZINC000353512539 538747523 /nfs/dbraw/zinc/74/75/23/538747523.db2.gz DNNAHDBDLMVTEL-ZIAGYGMSSA-N 0 3 249.402 3.063 20 0 BGADHN CCc1ncc(CN2CCCCC[C@H]2C)s1 ZINC000353513200 172017755 /nfs/dbraw/zinc/01/77/55/172017755.db2.gz WFWXWTIXKJFYJX-LLVKDONJSA-N 0 3 238.400 3.470 20 0 BGADHN CCc1ncc(CN2CCCCC[C@@H]2C)s1 ZINC000353513203 172017817 /nfs/dbraw/zinc/01/78/17/172017817.db2.gz WFWXWTIXKJFYJX-NSHDSACASA-N 0 3 238.400 3.470 20 0 BGADHN Cc1cc(C)cc(CN2CCSC[C@H]2C)c1 ZINC000353514946 387221395 /nfs/dbraw/zinc/22/13/95/387221395.db2.gz XOJGUXLUPLIMSE-CYBMUJFWSA-N 0 3 235.396 3.241 20 0 BGADHN Cc1cc(C)cc(CN2CCSC[C@@H]2C)c1 ZINC000353514948 387219938 /nfs/dbraw/zinc/21/99/38/387219938.db2.gz XOJGUXLUPLIMSE-ZDUSSCGKSA-N 0 3 235.396 3.241 20 0 BGADHN C[C@@H](NCCCCC1CCCC1)c1ncc[nH]1 ZINC000353515164 538747589 /nfs/dbraw/zinc/74/75/89/538747589.db2.gz HHIJIUZSYLHWBT-GFCCVEGCSA-N 0 3 235.375 3.421 20 0 BGADHN C[C@H](NCCCCC1CCCC1)c1ncc[nH]1 ZINC000353515165 538745910 /nfs/dbraw/zinc/74/59/10/538745910.db2.gz HHIJIUZSYLHWBT-LBPRGKRZSA-N 0 3 235.375 3.421 20 0 BGADHN CC(C)CN1CCc2c(Cl)cccc2C1 ZINC000353515322 356712079 /nfs/dbraw/zinc/71/20/79/356712079.db2.gz DTANIMUBUHAPFZ-UHFFFAOYSA-N 0 3 223.747 3.354 20 0 BGADHN CC[C@H]1CCCC[C@H]1N(C)Cc1conc1C ZINC000353517607 387221895 /nfs/dbraw/zinc/22/18/95/387221895.db2.gz JETUEMZTJBSIEU-GXTWGEPZSA-N 0 3 236.359 3.384 20 0 BGADHN CC[C@H]1CCCC[C@@H]1N(C)Cc1conc1C ZINC000353517609 187208839 /nfs/dbraw/zinc/20/88/39/187208839.db2.gz JETUEMZTJBSIEU-JSGCOSHPSA-N 0 3 236.359 3.384 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1N(C)Cc1conc1C ZINC000353517611 356713264 /nfs/dbraw/zinc/71/32/64/356713264.db2.gz JETUEMZTJBSIEU-OCCSQVGLSA-N 0 3 236.359 3.384 20 0 BGADHN CC[C@@H]1CCCC[C@H]1N(C)Cc1conc1C ZINC000353517612 356713284 /nfs/dbraw/zinc/71/32/84/356713284.db2.gz JETUEMZTJBSIEU-TZMCWYRMSA-N 0 3 236.359 3.384 20 0 BGADHN CCCC[C@H](NCc1ccnc(C)n1)C1CCC1 ZINC000353519157 169011906 /nfs/dbraw/zinc/01/19/06/169011906.db2.gz MJUKFZPLFRRMNN-HNNXBMFYSA-N 0 3 247.386 3.234 20 0 BGADHN CCCC[C@@H](NCc1ccnc(C)n1)C1CCC1 ZINC000353519158 356712822 /nfs/dbraw/zinc/71/28/22/356712822.db2.gz MJUKFZPLFRRMNN-OAHLLOKOSA-N 0 3 247.386 3.234 20 0 BGADHN CC[C@H]1CCCC[C@H]1N(C)Cc1ccnc(C)n1 ZINC000353522768 386409274 /nfs/dbraw/zinc/40/92/74/386409274.db2.gz WJJUZNFVOLUWMS-DZGCQCFKSA-N 0 3 247.386 3.186 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1N(C)Cc1ccnc(C)n1 ZINC000353522769 352216594 /nfs/dbraw/zinc/21/65/94/352216594.db2.gz WJJUZNFVOLUWMS-HIFRSBDPSA-N 0 3 247.386 3.186 20 0 BGADHN CC[C@@H]1CCCC[C@H]1N(C)Cc1ccnc(C)n1 ZINC000353522770 352216692 /nfs/dbraw/zinc/21/66/92/352216692.db2.gz WJJUZNFVOLUWMS-UKRRQHHQSA-N 0 3 247.386 3.186 20 0 BGADHN CC[C@H]1CCCC[C@@H]1N(C)Cc1ccnc(C)n1 ZINC000353522771 188210673 /nfs/dbraw/zinc/21/06/73/188210673.db2.gz WJJUZNFVOLUWMS-ZFWWWQNUSA-N 0 3 247.386 3.186 20 0 BGADHN CCC1CCC(CN[C@@H](C)c2ncc[nH]2)CC1 ZINC000353524820 538750265 /nfs/dbraw/zinc/75/02/65/538750265.db2.gz XGNMRYWZYKTKHW-HIFPTAJRSA-N 0 3 235.375 3.277 20 0 BGADHN CCC1CCC(CN[C@H](C)c2ncc[nH]2)CC1 ZINC000353524821 538750221 /nfs/dbraw/zinc/75/02/21/538750221.db2.gz XGNMRYWZYKTKHW-PNESKVBLSA-N 0 3 235.375 3.277 20 0 BGADHN CCC(C)(C)N(C)Cc1cnc2cccc(C)n12 ZINC000353527024 168288179 /nfs/dbraw/zinc/28/81/79/168288179.db2.gz KPABVEYDCMTPSU-UHFFFAOYSA-N 0 3 245.370 3.263 20 0 BGADHN CCC(C)(C)N(C)Cc1nc2ccccc2n1C ZINC000353527428 168289000 /nfs/dbraw/zinc/28/90/00/168289000.db2.gz LCLWALITPBNNRZ-UHFFFAOYSA-N 0 3 245.370 3.194 20 0 BGADHN C[C@H](NCC[C@@H]1CCC[C@@H](C)C1)c1ncc[nH]1 ZINC000353531292 538746967 /nfs/dbraw/zinc/74/69/67/538746967.db2.gz OENNDOUMKBOSJQ-AGIUHOORSA-N 0 3 235.375 3.277 20 0 BGADHN C[C@H](NCC[C@H]1CCC[C@@H](C)C1)c1ncc[nH]1 ZINC000353531293 538746599 /nfs/dbraw/zinc/74/65/99/538746599.db2.gz OENNDOUMKBOSJQ-FRRDWIJNSA-N 0 3 235.375 3.277 20 0 BGADHN C[C@@H](NCC[C@H]1CCC[C@@H](C)C1)c1ncc[nH]1 ZINC000353531295 538747107 /nfs/dbraw/zinc/74/71/07/538747107.db2.gz OENNDOUMKBOSJQ-JHJVBQTASA-N 0 3 235.375 3.277 20 0 BGADHN C[C@@H](NCC[C@@H]1CCC[C@@H](C)C1)c1ncc[nH]1 ZINC000353531297 538745588 /nfs/dbraw/zinc/74/55/88/538745588.db2.gz OENNDOUMKBOSJQ-UPJWGTAASA-N 0 3 235.375 3.277 20 0 BGADHN CCC(C)(C)N(C)Cc1cnn(C(C)C)c1 ZINC000353531343 168288732 /nfs/dbraw/zinc/28/87/32/168288732.db2.gz OKNPOZXXKSKYJB-UHFFFAOYSA-N 0 3 223.364 3.084 20 0 BGADHN CCOc1cccc(CN(C)C(C)(C)CC)n1 ZINC000353531899 387223063 /nfs/dbraw/zinc/22/30/63/387223063.db2.gz PYEOXEKEYUSURV-UHFFFAOYSA-N 0 3 236.359 3.101 20 0 BGADHN CCOC1CC(N(C)Cc2ccsc2C)C1 ZINC000353533886 170328259 /nfs/dbraw/zinc/32/82/59/170328259.db2.gz YAAZQEMSAUOPSF-UHFFFAOYSA-N 0 3 239.384 3.056 20 0 BGADHN Cc1noc(C)c1C(C)(C)NCCCCCF ZINC000353540546 387224175 /nfs/dbraw/zinc/22/41/75/387224175.db2.gz DBLFNXXGJGZISN-UHFFFAOYSA-N 0 3 242.338 3.256 20 0 BGADHN CC/C=C\CCNC(C)(C)c1c(C)noc1C ZINC000353551614 387228330 /nfs/dbraw/zinc/22/83/30/387228330.db2.gz UQQNKAVXSRKVCM-FPLPWBNLSA-N 0 3 236.359 3.472 20 0 BGADHN CCc1nocc1CN1CCC(C)(C2CC2)CC1 ZINC000353556039 172097369 /nfs/dbraw/zinc/09/73/69/172097369.db2.gz QTHVKIDPKPUUCE-UHFFFAOYSA-N 0 3 248.370 3.249 20 0 BGADHN CC[C@@H](CN[C@@H](C)c1ccc(F)c(C)c1)OC ZINC000353557652 387230712 /nfs/dbraw/zinc/23/07/12/387230712.db2.gz HQKSJJWOHNQXKO-AAEUAGOBSA-N 0 3 239.334 3.210 20 0 BGADHN CC[C@H](CN[C@H](C)c1ccc(F)c(C)c1)OC ZINC000353557653 387230716 /nfs/dbraw/zinc/23/07/16/387230716.db2.gz HQKSJJWOHNQXKO-DGCLKSJQSA-N 0 3 239.334 3.210 20 0 BGADHN CC[C@H](CN[C@@H](C)c1ccc(F)c(C)c1)OC ZINC000353557655 387230760 /nfs/dbraw/zinc/23/07/60/387230760.db2.gz HQKSJJWOHNQXKO-WCQYABFASA-N 0 3 239.334 3.210 20 0 BGADHN CC[C@@H](CN[C@H](C)c1ccc(F)c(C)c1)OC ZINC000353557657 387230111 /nfs/dbraw/zinc/23/01/11/387230111.db2.gz HQKSJJWOHNQXKO-YPMHNXCESA-N 0 3 239.334 3.210 20 0 BGADHN CCN(Cc1ccc(Cl)o1)CC1CC1 ZINC000353563838 356713549 /nfs/dbraw/zinc/71/35/49/356713549.db2.gz BGIBYSFEUJVXMA-UHFFFAOYSA-N 0 3 213.708 3.165 20 0 BGADHN CCCC[C@@H](C)N(C)Cc1conc1CC ZINC000353564117 356714084 /nfs/dbraw/zinc/71/40/84/356714084.db2.gz OMEPIXKGVZLAQZ-LLVKDONJSA-N 0 3 224.348 3.248 20 0 BGADHN CCCC[C@H](C)N(C)Cc1conc1CC ZINC000353564118 356714018 /nfs/dbraw/zinc/71/40/18/356714018.db2.gz OMEPIXKGVZLAQZ-NSHDSACASA-N 0 3 224.348 3.248 20 0 BGADHN CCc1nocc1CN(CC)CC(C)(C)C ZINC000353568531 172095663 /nfs/dbraw/zinc/09/56/63/172095663.db2.gz LSZDRNZPZHCFOV-UHFFFAOYSA-N 0 3 224.348 3.105 20 0 BGADHN CCOC[C@@H](C)NCc1ccc2sccc2c1 ZINC000353568909 387232495 /nfs/dbraw/zinc/23/24/95/387232495.db2.gz QATDKJUFGVMZDR-LLVKDONJSA-N 0 3 249.379 3.416 20 0 BGADHN CCOC[C@H](C)NCc1ccc2sccc2c1 ZINC000353568911 387234177 /nfs/dbraw/zinc/23/41/77/387234177.db2.gz QATDKJUFGVMZDR-NSHDSACASA-N 0 3 249.379 3.416 20 0 BGADHN Cc1ccc(C(C)(C)NCCC(F)(F)F)cn1 ZINC000353582515 187372656 /nfs/dbraw/zinc/37/26/56/187372656.db2.gz RXKIPJKCHSCXGD-UHFFFAOYSA-N 0 3 246.276 3.167 20 0 BGADHN CCc1nocc1CN1CC2(CCC2)[C@@H]1C(C)C ZINC000353583989 172098000 /nfs/dbraw/zinc/09/80/00/172098000.db2.gz DGDSAISJZMNGIP-AWEZNQCLSA-N 0 3 248.370 3.248 20 0 BGADHN CCc1nocc1CN1CC2(CCC2)[C@H]1C(C)C ZINC000353583990 172097818 /nfs/dbraw/zinc/09/78/18/172097818.db2.gz DGDSAISJZMNGIP-CQSZACIVSA-N 0 3 248.370 3.248 20 0 BGADHN C[C@H](NC[C@@H]1CCC[C@H](C)[C@@H]1C)c1ncc[nH]1 ZINC000353588734 538751469 /nfs/dbraw/zinc/75/14/69/538751469.db2.gz NGGSXAAOBHIRDW-CYDGBPFRSA-N 0 3 235.375 3.133 20 0 BGADHN C[C@H](NC[C@@H]1CCC[C@@H](C)[C@H]1C)c1ncc[nH]1 ZINC000353588735 538751620 /nfs/dbraw/zinc/75/16/20/538751620.db2.gz NGGSXAAOBHIRDW-NDBYEHHHSA-N 0 3 235.375 3.133 20 0 BGADHN C[C@H](NC[C@@H]1CCC[C@H](C)[C@H]1C)c1ncc[nH]1 ZINC000353588737 538751824 /nfs/dbraw/zinc/75/18/24/538751824.db2.gz NGGSXAAOBHIRDW-RNJOBUHISA-N 0 3 235.375 3.133 20 0 BGADHN C[C@H](NC[C@@H]1CCC[C@@H](C)[C@@H]1C)c1ncc[nH]1 ZINC000353588739 538751977 /nfs/dbraw/zinc/75/19/77/538751977.db2.gz NGGSXAAOBHIRDW-VOAKCMCISA-N 0 3 235.375 3.133 20 0 BGADHN C[C@H](CC1CCCCC1)N[C@@H](C)c1ncc[nH]1 ZINC000353589165 538751548 /nfs/dbraw/zinc/75/15/48/538751548.db2.gz PEONCAIEEILTEA-NEPJUHHUSA-N 0 3 235.375 3.419 20 0 BGADHN C[C@@H](N[C@@H](C)CC1CCCCC1)c1ncc[nH]1 ZINC000353589166 538751374 /nfs/dbraw/zinc/75/13/74/538751374.db2.gz PEONCAIEEILTEA-NWDGAFQWSA-N 0 3 235.375 3.419 20 0 BGADHN C[C@@H](CC1CCCCC1)N[C@@H](C)c1ncc[nH]1 ZINC000353589167 538751537 /nfs/dbraw/zinc/75/15/37/538751537.db2.gz PEONCAIEEILTEA-RYUDHWBXSA-N 0 3 235.375 3.419 20 0 BGADHN C[C@H](CC1CCCCC1)N[C@H](C)c1ncc[nH]1 ZINC000353589168 538751093 /nfs/dbraw/zinc/75/10/93/538751093.db2.gz PEONCAIEEILTEA-VXGBXAGGSA-N 0 3 235.375 3.419 20 0 BGADHN CCC1(CC)CCN(Cc2ccc(C)cn2)C1 ZINC000353589184 387236409 /nfs/dbraw/zinc/23/64/09/387236409.db2.gz PJXTVIVEFCMRQU-UHFFFAOYSA-N 0 3 232.371 3.402 20 0 BGADHN Cc1ccc(F)c(CN2CCC[C@H]2C)c1 ZINC000353590069 387235839 /nfs/dbraw/zinc/23/58/39/387235839.db2.gz BWNZBBANMWKWCE-LLVKDONJSA-N 0 3 207.292 3.118 20 0 BGADHN Cc1ccc(F)c(CN2CCC[C@@H]2C)c1 ZINC000353590070 387229871 /nfs/dbraw/zinc/22/98/71/387229871.db2.gz BWNZBBANMWKWCE-NSHDSACASA-N 0 3 207.292 3.118 20 0 BGADHN CCOc1ccccc1CN1CCC(C)(C)C1 ZINC000353590112 387232895 /nfs/dbraw/zinc/23/28/95/387232895.db2.gz SPYCRFDTNJOXES-UHFFFAOYSA-N 0 3 233.355 3.317 20 0 BGADHN C[C@@H]1CCCN1Cc1ccccc1OCC1CC1 ZINC000353590497 176109626 /nfs/dbraw/zinc/10/96/26/176109626.db2.gz GLZLDTLKBYWENB-CYBMUJFWSA-N 0 3 245.366 3.460 20 0 BGADHN C[C@H]1CCCN1Cc1ccccc1OCC1CC1 ZINC000353590763 177110162 /nfs/dbraw/zinc/11/01/62/177110162.db2.gz GLZLDTLKBYWENB-ZDUSSCGKSA-N 0 3 245.366 3.460 20 0 BGADHN COc1ccc(CN2CCC[C@@H]2C)c(Cl)c1 ZINC000353591386 387238382 /nfs/dbraw/zinc/23/83/82/387238382.db2.gz KWTHIXRWSRYYJD-JTQLQIEISA-N 0 3 239.746 3.333 20 0 BGADHN COc1ccc(CN2CCC[C@H]2C)c(Cl)c1 ZINC000353591387 175099573 /nfs/dbraw/zinc/09/95/73/175099573.db2.gz KWTHIXRWSRYYJD-SNVBAGLBSA-N 0 3 239.746 3.333 20 0 BGADHN Cc1ccc(CN2CCC[C@H]2C)cc1F ZINC000353592199 387238168 /nfs/dbraw/zinc/23/81/68/387238168.db2.gz QRFPTUFSFWUAKN-LLVKDONJSA-N 0 3 207.292 3.118 20 0 BGADHN Cc1ccc(CN2CCC[C@@H]2C)cc1F ZINC000353592200 387237907 /nfs/dbraw/zinc/23/79/07/387237907.db2.gz QRFPTUFSFWUAKN-NSHDSACASA-N 0 3 207.292 3.118 20 0 BGADHN Cc1ccnc([C@H](C)NCC2(C(F)F)CC2)c1 ZINC000353602872 387239264 /nfs/dbraw/zinc/23/92/64/387239264.db2.gz FNCXRPFGKSCCIR-JTQLQIEISA-N 0 3 240.297 3.086 20 0 BGADHN Cc1ccnc([C@@H](C)NCC2(C(F)F)CC2)c1 ZINC000353602873 387239181 /nfs/dbraw/zinc/23/91/81/387239181.db2.gz FNCXRPFGKSCCIR-SNVBAGLBSA-N 0 3 240.297 3.086 20 0 BGADHN CCC1(CC)CCN(Cc2ccco2)C1 ZINC000353607877 387241187 /nfs/dbraw/zinc/24/11/87/387241187.db2.gz BXUOIWBWFOVIPU-UHFFFAOYSA-N 0 3 207.317 3.292 20 0 BGADHN CCC1(CC)CCN(Cc2nc(C)cs2)C1 ZINC000353608311 387242055 /nfs/dbraw/zinc/24/20/55/387242055.db2.gz FLCGHBDUILGTNT-UHFFFAOYSA-N 0 3 238.400 3.464 20 0 BGADHN CCCn1cc(CN2CCC(CC)(CC)C2)cn1 ZINC000353609744 387239972 /nfs/dbraw/zinc/23/99/72/387239972.db2.gz OWEAWGDRKLLJHM-UHFFFAOYSA-N 0 3 249.402 3.305 20 0 BGADHN CC(C)CC[C@@H](C)NCc1ncccc1N(C)C ZINC000353609834 386461779 /nfs/dbraw/zinc/46/17/79/386461779.db2.gz KRJJZLUJYGFAFY-CYBMUJFWSA-N 0 3 249.402 3.062 20 0 BGADHN CC(C)CC[C@H](C)NCc1ncccc1N(C)C ZINC000353609835 352537795 /nfs/dbraw/zinc/53/77/95/352537795.db2.gz KRJJZLUJYGFAFY-ZDUSSCGKSA-N 0 3 249.402 3.062 20 0 BGADHN CCCCN(CCOC)Cc1ccc(CC)o1 ZINC000353610110 386476302 /nfs/dbraw/zinc/47/63/02/386476302.db2.gz RYCIIYFKQKIIQT-UHFFFAOYSA-N 0 3 239.359 3.091 20 0 BGADHN C[C@@H](NCC(C)(C)C1CCCC1)c1ncc[nH]1 ZINC000353610847 538752856 /nfs/dbraw/zinc/75/28/56/538752856.db2.gz AYISKPBESQAUPV-LLVKDONJSA-N 0 3 235.375 3.277 20 0 BGADHN C[C@H](NCC(C)(C)C1CCCC1)c1ncc[nH]1 ZINC000353610854 538753444 /nfs/dbraw/zinc/75/34/44/538753444.db2.gz AYISKPBESQAUPV-NSHDSACASA-N 0 3 235.375 3.277 20 0 BGADHN COc1ccc(C)cc1CN1CCC(C)(C)C1 ZINC000353611234 175075356 /nfs/dbraw/zinc/07/53/56/175075356.db2.gz ZZWRROKYUOJZKT-UHFFFAOYSA-N 0 3 233.355 3.236 20 0 BGADHN C[C@H](NCC1(C)CCC(C)CC1)c1ncc[nH]1 ZINC000353611750 538752998 /nfs/dbraw/zinc/75/29/98/538752998.db2.gz ZXICHWIUCZLLMA-LXVYMNJGSA-N 0 3 235.375 3.277 20 0 BGADHN C[C@@H](NCC1(C)CCC(C)CC1)c1ncc[nH]1 ZINC000353611751 538753396 /nfs/dbraw/zinc/75/33/96/538753396.db2.gz ZXICHWIUCZLLMA-MBHSVXNSSA-N 0 3 235.375 3.277 20 0 BGADHN COc1ccncc1CNCC1CCCCCC1 ZINC000353611887 175371982 /nfs/dbraw/zinc/37/19/82/175371982.db2.gz FYFZGTUWZYUNPS-UHFFFAOYSA-N 0 3 248.370 3.150 20 0 BGADHN CCC1(CC)CCN(Cc2c(C)noc2C)C1 ZINC000353612088 387240069 /nfs/dbraw/zinc/24/00/69/387240069.db2.gz HCDWXNBHOCYOLM-UHFFFAOYSA-N 0 3 236.359 3.304 20 0 BGADHN CCC1(CC)CCN(Cc2cnn(C(C)C)c2)C1 ZINC000353612477 387239770 /nfs/dbraw/zinc/23/97/70/387239770.db2.gz JHJZYBOEAYAJGV-UHFFFAOYSA-N 0 3 249.402 3.476 20 0 BGADHN C[C@@H]1CCCN1Cc1cccc2c1OC(C)(C)C2 ZINC000353614248 176110882 /nfs/dbraw/zinc/11/08/82/176110882.db2.gz RNCGAVQJMMRQCH-GFCCVEGCSA-N 0 3 245.366 3.384 20 0 BGADHN C[C@H]1CCCN1Cc1cccc2c1OC(C)(C)C2 ZINC000353614250 177110000 /nfs/dbraw/zinc/11/00/00/177110000.db2.gz RNCGAVQJMMRQCH-LBPRGKRZSA-N 0 3 245.366 3.384 20 0 BGADHN CC1(C)C[C@H]1N[C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000353615753 187209709 /nfs/dbraw/zinc/20/97/09/187209709.db2.gz AMLFFECOFHCGHU-CHWSQXEVSA-N 0 3 247.386 3.419 20 0 BGADHN CC1(C)C[C@H]1N[C@H](c1ncc[nH]1)C1CCCCC1 ZINC000353615754 387243778 /nfs/dbraw/zinc/24/37/78/387243778.db2.gz AMLFFECOFHCGHU-OLZOCXBDSA-N 0 3 247.386 3.419 20 0 BGADHN CC1(C)C[C@@H]1N[C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000353615755 187372904 /nfs/dbraw/zinc/37/29/04/187372904.db2.gz AMLFFECOFHCGHU-QWHCGFSZSA-N 0 3 247.386 3.419 20 0 BGADHN CC1(C)C[C@@H]1N[C@H](c1ncc[nH]1)C1CCCCC1 ZINC000353615756 387242997 /nfs/dbraw/zinc/24/29/97/387242997.db2.gz AMLFFECOFHCGHU-STQMWFEESA-N 0 3 247.386 3.419 20 0 BGADHN CC1CC(N[C@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000353616007 168148410 /nfs/dbraw/zinc/14/84/10/168148410.db2.gz YCLIUZKVGVPPKH-UBHUBRDASA-N 0 3 247.386 3.419 20 0 BGADHN CC1CC(N[C@@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000353616008 168147198 /nfs/dbraw/zinc/14/71/98/168147198.db2.gz YCLIUZKVGVPPKH-UXUKBGGZSA-N 0 3 247.386 3.419 20 0 BGADHN CC1(CN[C@@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000353621266 168044721 /nfs/dbraw/zinc/04/47/21/168044721.db2.gz LKFOROXAGCCZAU-CYBMUJFWSA-N 0 3 247.386 3.421 20 0 BGADHN CC1(CN[C@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000353621267 168046649 /nfs/dbraw/zinc/04/66/49/168046649.db2.gz LKFOROXAGCCZAU-ZDUSSCGKSA-N 0 3 247.386 3.421 20 0 BGADHN Cc1ccncc1CN(C)CC1CCCC1 ZINC000353624012 387242498 /nfs/dbraw/zinc/24/24/98/387242498.db2.gz LYUUFIZUBYNKAU-UHFFFAOYSA-N 0 3 218.344 3.012 20 0 BGADHN CC(C)CC[C@H](N[C@H]1CCOC1)c1ccoc1 ZINC000353634408 356715328 /nfs/dbraw/zinc/71/53/28/356715328.db2.gz VLTKVDNFXHFIRE-KBPBESRZSA-N 0 3 237.343 3.135 20 0 BGADHN CC(C)CC[C@H](N[C@@H]1CCOC1)c1ccoc1 ZINC000353634409 356715199 /nfs/dbraw/zinc/71/51/99/356715199.db2.gz VLTKVDNFXHFIRE-KGLIPLIRSA-N 0 3 237.343 3.135 20 0 BGADHN CC(C)CC[C@@H](N[C@H]1CCOC1)c1ccoc1 ZINC000353634410 387244695 /nfs/dbraw/zinc/24/46/95/387244695.db2.gz VLTKVDNFXHFIRE-UONOGXRCSA-N 0 3 237.343 3.135 20 0 BGADHN CC(C)CC[C@@H](N[C@@H]1CCOC1)c1ccoc1 ZINC000353634411 387244674 /nfs/dbraw/zinc/24/46/74/387244674.db2.gz VLTKVDNFXHFIRE-ZIAGYGMSSA-N 0 3 237.343 3.135 20 0 BGADHN CC(C)Cc1cccc([C@H](C)N[C@H]2CCOC2)c1 ZINC000353634463 188234933 /nfs/dbraw/zinc/23/49/33/188234933.db2.gz VXMITJSYDPXETB-BBRMVZONSA-N 0 3 247.382 3.325 20 0 BGADHN CC(C)Cc1cccc([C@@H](C)N[C@H]2CCOC2)c1 ZINC000353634464 387246606 /nfs/dbraw/zinc/24/66/06/387246606.db2.gz VXMITJSYDPXETB-CJNGLKHVSA-N 0 3 247.382 3.325 20 0 BGADHN CC(C)Cc1cccc([C@@H](C)N[C@@H]2CCOC2)c1 ZINC000353634465 187208897 /nfs/dbraw/zinc/20/88/97/187208897.db2.gz VXMITJSYDPXETB-CZUORRHYSA-N 0 3 247.382 3.325 20 0 BGADHN CC(C)Cc1cccc([C@H](C)N[C@@H]2CCOC2)c1 ZINC000353634466 387246701 /nfs/dbraw/zinc/24/67/01/387246701.db2.gz VXMITJSYDPXETB-XJKSGUPXSA-N 0 3 247.382 3.325 20 0 BGADHN CCOc1ccccc1CN1CCC12CCC2 ZINC000353644045 387248516 /nfs/dbraw/zinc/24/85/16/387248516.db2.gz BWTHZPQKJOSVNR-UHFFFAOYSA-N 0 3 231.339 3.214 20 0 BGADHN Cc1ccncc1CN(C)[C@H](C)C1(C)CC1 ZINC000353645231 387248400 /nfs/dbraw/zinc/24/84/00/387248400.db2.gz BWBOYXSSLRZRBU-GFCCVEGCSA-N 0 3 218.344 3.010 20 0 BGADHN Cc1ccncc1CN(C)[C@@H](C)C1(C)CC1 ZINC000353645233 387248093 /nfs/dbraw/zinc/24/80/93/387248093.db2.gz BWBOYXSSLRZRBU-LBPRGKRZSA-N 0 3 218.344 3.010 20 0 BGADHN Cc1csc(CN2CCCC(C)(C)CC2)n1 ZINC000353646885 387248486 /nfs/dbraw/zinc/24/84/86/387248486.db2.gz JSHFRTVTKZOZFG-UHFFFAOYSA-N 0 3 238.400 3.464 20 0 BGADHN COc1ccccc1/C=C\CN1CCC12CCC2 ZINC000353648112 175315907 /nfs/dbraw/zinc/31/59/07/175315907.db2.gz OMXGLTNWRUDWHM-DAXSKMNVSA-N 0 3 243.350 3.337 20 0 BGADHN COc1ccccc1/C=C/CN1CCC12CCC2 ZINC000353648113 175313743 /nfs/dbraw/zinc/31/37/43/175313743.db2.gz OMXGLTNWRUDWHM-QPJJXVBHSA-N 0 3 243.350 3.337 20 0 BGADHN Cc1cc(F)ccc1CN1CCC12CCC2 ZINC000353648747 178086046 /nfs/dbraw/zinc/08/60/46/178086046.db2.gz QCPOIJZWDGXSNL-UHFFFAOYSA-N 0 3 219.303 3.263 20 0 BGADHN CCC1(C)CCN(Cc2cnccc2C)CC1 ZINC000353652008 387250659 /nfs/dbraw/zinc/25/06/59/387250659.db2.gz QQPSRLLVGGIAQT-UHFFFAOYSA-N 0 3 232.371 3.402 20 0 BGADHN CCc1cccc(F)c1CN1CCC[C@H]1C ZINC000353652976 387249722 /nfs/dbraw/zinc/24/97/22/387249722.db2.gz GNSULIUXIJMTDF-LLVKDONJSA-N 0 3 221.319 3.372 20 0 BGADHN CCc1cccc(F)c1CN1CCC[C@@H]1C ZINC000353652977 387249711 /nfs/dbraw/zinc/24/97/11/387249711.db2.gz GNSULIUXIJMTDF-NSHDSACASA-N 0 3 221.319 3.372 20 0 BGADHN COc1c(C)cc(CN2CCC23CCC3)cc1C ZINC000353653482 386777131 /nfs/dbraw/zinc/77/71/31/386777131.db2.gz KMURFVBJPTZMHE-UHFFFAOYSA-N 0 3 245.366 3.440 20 0 BGADHN Cc1cc(CN2CCC23CCC3)ccc1F ZINC000353655063 387251515 /nfs/dbraw/zinc/25/15/15/387251515.db2.gz OKPQILKNZGUCKN-UHFFFAOYSA-N 0 3 219.303 3.263 20 0 BGADHN CC[C@@]1(C)CCCN(Cc2cnccc2C)C1 ZINC000353655213 171198714 /nfs/dbraw/zinc/19/87/14/171198714.db2.gz XEABWIMKCZHLSU-HNNXBMFYSA-N 0 3 232.371 3.402 20 0 BGADHN CC[C@]1(C)CCCN(Cc2cnccc2C)C1 ZINC000353655214 387250770 /nfs/dbraw/zinc/25/07/70/387250770.db2.gz XEABWIMKCZHLSU-OAHLLOKOSA-N 0 3 232.371 3.402 20 0 BGADHN Cc1ccc(CN2CCC23CCC3)s1 ZINC000353657018 178565562 /nfs/dbraw/zinc/56/55/62/178565562.db2.gz SRTPOWWBNVJTGQ-UHFFFAOYSA-N 0 3 207.342 3.185 20 0 BGADHN COc1ccc(CN2CCC23CCC3)cc1C ZINC000353658924 188234865 /nfs/dbraw/zinc/23/48/65/188234865.db2.gz XTCGQLQVXVPVBO-UHFFFAOYSA-N 0 3 231.339 3.132 20 0 BGADHN CCc1cccc(F)c1CN(C)C1CCC1 ZINC000353662371 387253660 /nfs/dbraw/zinc/25/36/60/387253660.db2.gz YTMDUQCPTFXQGW-UHFFFAOYSA-N 0 3 221.319 3.372 20 0 BGADHN Cc1ccc(F)c(CN2CCC23CCC3)c1 ZINC000353665570 387253637 /nfs/dbraw/zinc/25/36/37/387253637.db2.gz LJTNMGNCUQLIOK-UHFFFAOYSA-N 0 3 219.303 3.263 20 0 BGADHN CCOc1ccc(CN2CCC23CCC3)cc1 ZINC000353666358 387254032 /nfs/dbraw/zinc/25/40/32/387254032.db2.gz OMRJNZYLUPXUMK-UHFFFAOYSA-N 0 3 231.339 3.214 20 0 BGADHN Cc1ccc(CN2CCC23CCC3)cc1F ZINC000353666742 387253924 /nfs/dbraw/zinc/25/39/24/387253924.db2.gz PVVWDFAZSVXDQD-UHFFFAOYSA-N 0 3 219.303 3.263 20 0 BGADHN CCCn1nc(C)c(CN2CCC23CCC3)c1C ZINC000353667015 387252797 /nfs/dbraw/zinc/25/27/97/387252797.db2.gz RAZMYGICLBCCIR-UHFFFAOYSA-N 0 3 247.386 3.038 20 0 BGADHN Cc1cc(CN2CCC23CCC3)c(C)s1 ZINC000353667103 387253720 /nfs/dbraw/zinc/25/37/20/387253720.db2.gz SLEJFFWZURYDRT-UHFFFAOYSA-N 0 3 221.369 3.493 20 0 BGADHN CCOc1cccc(CN2CCC23CCC3)c1 ZINC000353667106 387254240 /nfs/dbraw/zinc/25/42/40/387254240.db2.gz SNGNTRDPCBZBDN-UHFFFAOYSA-N 0 3 231.339 3.214 20 0 BGADHN CC[C@H](CO)N[C@@H](CCC(C)C)c1ccoc1 ZINC000353668821 387255726 /nfs/dbraw/zinc/25/57/26/387255726.db2.gz AXRBANTXXGAQMZ-KGLIPLIRSA-N 0 3 239.359 3.117 20 0 BGADHN CC[C@H](CO)N[C@H](CCC(C)C)c1ccoc1 ZINC000353668823 387256603 /nfs/dbraw/zinc/25/66/03/387256603.db2.gz AXRBANTXXGAQMZ-ZIAGYGMSSA-N 0 3 239.359 3.117 20 0 BGADHN CCC1(CN[C@H](C)c2ncc[nH]2)CCCCC1 ZINC000353670474 538755191 /nfs/dbraw/zinc/75/51/91/538755191.db2.gz HONKFDUWOVXPFT-GFCCVEGCSA-N 0 3 235.375 3.421 20 0 BGADHN CCC1(CN[C@@H](C)c2ncc[nH]2)CCCCC1 ZINC000353670475 538755224 /nfs/dbraw/zinc/75/52/24/538755224.db2.gz HONKFDUWOVXPFT-LBPRGKRZSA-N 0 3 235.375 3.421 20 0 BGADHN Cc1ccnc([C@@H](C)NC[C@@H](C)C(F)(F)F)c1 ZINC000353676828 385927095 /nfs/dbraw/zinc/92/70/95/385927095.db2.gz WXYSKOBCLKBKOP-NXEZZACHSA-N 0 3 246.276 3.239 20 0 BGADHN Cc1ccnc([C@H](C)NC[C@H](C)C(F)(F)F)c1 ZINC000353676829 385926744 /nfs/dbraw/zinc/92/67/44/385926744.db2.gz WXYSKOBCLKBKOP-UWVGGRQHSA-N 0 3 246.276 3.239 20 0 BGADHN Cc1ccnc([C@@H](C)NC[C@H](C)C(F)(F)F)c1 ZINC000353676830 385927601 /nfs/dbraw/zinc/92/76/01/385927601.db2.gz WXYSKOBCLKBKOP-VHSXEESVSA-N 0 3 246.276 3.239 20 0 BGADHN Cc1ccnc([C@H](C)NC[C@@H](C)C(F)(F)F)c1 ZINC000353676831 385926502 /nfs/dbraw/zinc/92/65/02/385926502.db2.gz WXYSKOBCLKBKOP-ZJUUUORDSA-N 0 3 246.276 3.239 20 0 BGADHN Cc1ccccc1CN1CCC(C(F)F)CC1 ZINC000353678001 179272469 /nfs/dbraw/zinc/27/24/69/179272469.db2.gz ZLEXQZBJBBDVBE-UHFFFAOYSA-N 0 3 239.309 3.472 20 0 BGADHN Cc1nn(C(C)(C)C)c(C)c1CN(C)C1CCC1 ZINC000353683446 180332049 /nfs/dbraw/zinc/33/20/49/180332049.db2.gz QBQWIBUIHYIUES-UHFFFAOYSA-N 0 3 249.402 3.239 20 0 BGADHN COc1ccc(C)cc1CN1CCC2(CCC2)C1 ZINC000353687559 175075151 /nfs/dbraw/zinc/07/51/51/175075151.db2.gz MCMKDIQPQNVRRQ-UHFFFAOYSA-N 0 3 245.366 3.380 20 0 BGADHN CC(C)OCCCN(C)Cc1ccc(Cl)o1 ZINC000353697383 167209447 /nfs/dbraw/zinc/20/94/47/167209447.db2.gz GLMUSMMHBQUYGO-UHFFFAOYSA-N 0 3 245.750 3.180 20 0 BGADHN C[C@@H]1C[C@@H]1CN1CC(C)(C)[C@@H]1c1ccncc1 ZINC000353700360 176391320 /nfs/dbraw/zinc/39/13/20/176391320.db2.gz WJUXNENSRFVUHO-BNOWGMLFSA-N 0 3 230.355 3.121 20 0 BGADHN C[C@@H]1C[C@H]1CN1CC(C)(C)[C@H]1c1ccncc1 ZINC000353700362 387261303 /nfs/dbraw/zinc/26/13/03/387261303.db2.gz WJUXNENSRFVUHO-KWCYVHTRSA-N 0 3 230.355 3.121 20 0 BGADHN C[C@@H]1C[C@@H]1CN1CC(C)(C)[C@H]1c1ccncc1 ZINC000353700363 176391674 /nfs/dbraw/zinc/39/16/74/176391674.db2.gz WJUXNENSRFVUHO-MRVWCRGKSA-N 0 3 230.355 3.121 20 0 BGADHN C[C@@H]1C[C@H]1CN1CC(C)(C)[C@@H]1c1ccncc1 ZINC000353700365 387261645 /nfs/dbraw/zinc/26/16/45/387261645.db2.gz WJUXNENSRFVUHO-XBFCOCLRSA-N 0 3 230.355 3.121 20 0 BGADHN CC1(C)CCC(CN2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000353702790 387260559 /nfs/dbraw/zinc/26/05/59/387260559.db2.gz KGBRGAXFTXAMQK-OKILXGFUSA-N 0 3 237.387 3.066 20 0 BGADHN CC[C@@H]1CCCCCN1Cc1nccs1 ZINC000353709192 356716487 /nfs/dbraw/zinc/71/64/87/356716487.db2.gz JMTKBXWRTUFRHW-LLVKDONJSA-N 0 3 224.373 3.298 20 0 BGADHN CC[C@H]1CCCCCN1Cc1nccs1 ZINC000353709194 387263218 /nfs/dbraw/zinc/26/32/18/387263218.db2.gz JMTKBXWRTUFRHW-NSHDSACASA-N 0 3 224.373 3.298 20 0 BGADHN CC[C@@]1(C)CCC[N@@H+](Cc2cccc([O-])c2)C1 ZINC000353709881 171199530 /nfs/dbraw/zinc/19/95/30/171199530.db2.gz SOIQNYRQMMFOON-HNNXBMFYSA-N 0 3 233.355 3.404 20 0 BGADHN CC[C@@]1(C)CCC[N@H+](Cc2cccc([O-])c2)C1 ZINC000353709881 171199529 /nfs/dbraw/zinc/19/95/29/171199529.db2.gz SOIQNYRQMMFOON-HNNXBMFYSA-N 0 3 233.355 3.404 20 0 BGADHN CC[C@]1(C)CCC[N@@H+](Cc2cccc([O-])c2)C1 ZINC000353709883 387264071 /nfs/dbraw/zinc/26/40/71/387264071.db2.gz SOIQNYRQMMFOON-OAHLLOKOSA-N 0 3 233.355 3.404 20 0 BGADHN CC[C@]1(C)CCC[N@H+](Cc2cccc([O-])c2)C1 ZINC000353709883 387264069 /nfs/dbraw/zinc/26/40/69/387264069.db2.gz SOIQNYRQMMFOON-OAHLLOKOSA-N 0 3 233.355 3.404 20 0 BGADHN CCOCCN(Cc1cccc(F)c1)C(C)C ZINC000353712019 387262398 /nfs/dbraw/zinc/26/23/98/387262398.db2.gz OTLCMCMTPIAMAS-UHFFFAOYSA-N 0 3 239.334 3.073 20 0 BGADHN Cc1ncc(CN2CC(C)(C)[C@H]2C(C)C)s1 ZINC000353743235 180139996 /nfs/dbraw/zinc/13/99/96/180139996.db2.gz BYBNTPFMBLIBNT-GFCCVEGCSA-N 0 3 238.400 3.318 20 0 BGADHN Cc1ncc(CN2CC(C)(C)[C@@H]2C(C)C)s1 ZINC000353743236 180141164 /nfs/dbraw/zinc/14/11/64/180141164.db2.gz BYBNTPFMBLIBNT-LBPRGKRZSA-N 0 3 238.400 3.318 20 0 BGADHN Cc1ccc(CN2CC(C)(C)[C@H]2C(C)C)o1 ZINC000353743794 387266718 /nfs/dbraw/zinc/26/67/18/387266718.db2.gz CWIYXWWRGIIPLP-CYBMUJFWSA-N 0 3 221.344 3.454 20 0 BGADHN Cc1ccc(CN2CC(C)(C)[C@@H]2C(C)C)o1 ZINC000353743795 387266771 /nfs/dbraw/zinc/26/67/71/387266771.db2.gz CWIYXWWRGIIPLP-ZDUSSCGKSA-N 0 3 221.344 3.454 20 0 BGADHN CC(C)[C@@H]1N(Cc2cnn(C(C)C)c2)CC1(C)C ZINC000353743933 187372918 /nfs/dbraw/zinc/37/29/18/187372918.db2.gz FEYGJSFVSZNSAM-AWEZNQCLSA-N 0 3 249.402 3.330 20 0 BGADHN CC(C)[C@H]1N(Cc2cnn(C(C)C)c2)CC1(C)C ZINC000353743936 387266644 /nfs/dbraw/zinc/26/66/44/387266644.db2.gz FEYGJSFVSZNSAM-CQSZACIVSA-N 0 3 249.402 3.330 20 0 BGADHN Cc1ncsc1CN1CC(C)(C)[C@H]1C(C)C ZINC000353743938 180314750 /nfs/dbraw/zinc/31/47/50/180314750.db2.gz FFFPCWFGFIAGIM-GFCCVEGCSA-N 0 3 238.400 3.318 20 0 BGADHN Cc1ncsc1CN1CC(C)(C)[C@@H]1C(C)C ZINC000353743940 180315867 /nfs/dbraw/zinc/31/58/67/180315867.db2.gz FFFPCWFGFIAGIM-LBPRGKRZSA-N 0 3 238.400 3.318 20 0 BGADHN Cc1cnc(CN2CCCC[C@H]2CC(C)C)cn1 ZINC000353744053 387267886 /nfs/dbraw/zinc/26/78/86/387267886.db2.gz DTNYUUGWUGHIMA-HNNXBMFYSA-N 0 3 247.386 3.186 20 0 BGADHN Cc1cnc(CN2CCCC[C@@H]2CC(C)C)cn1 ZINC000353744054 387268263 /nfs/dbraw/zinc/26/82/63/387268263.db2.gz DTNYUUGWUGHIMA-OAHLLOKOSA-N 0 3 247.386 3.186 20 0 BGADHN CCCn1cc(CN2CC(C)(C)[C@@H]2C(C)C)cn1 ZINC000353745312 386753998 /nfs/dbraw/zinc/75/39/98/386753998.db2.gz ISLLWHIWRLZNJP-AWEZNQCLSA-N 0 3 249.402 3.160 20 0 BGADHN CCCn1cc(CN2CC(C)(C)[C@H]2C(C)C)cn1 ZINC000353745313 386753543 /nfs/dbraw/zinc/75/35/43/386753543.db2.gz ISLLWHIWRLZNJP-CQSZACIVSA-N 0 3 249.402 3.160 20 0 BGADHN Cc1ccc(CN2CC(C)(C)[C@@H]2C(C)C)nc1 ZINC000353745640 387267940 /nfs/dbraw/zinc/26/79/40/387267940.db2.gz KGFXBIHERPCOCR-AWEZNQCLSA-N 0 3 232.371 3.256 20 0 BGADHN Cc1ccc(CN2CC(C)(C)[C@H]2C(C)C)nc1 ZINC000353745642 387268089 /nfs/dbraw/zinc/26/80/89/387268089.db2.gz KGFXBIHERPCOCR-CQSZACIVSA-N 0 3 232.371 3.256 20 0 BGADHN CC(C)[C@H]1N(Cc2ccco2)CC1(C)C ZINC000353746095 386763060 /nfs/dbraw/zinc/76/30/60/386763060.db2.gz KWXOOMHXHYHTSS-GFCCVEGCSA-N 0 3 207.317 3.146 20 0 BGADHN CC(C)[C@@H]1N(Cc2ccco2)CC1(C)C ZINC000353746096 386761556 /nfs/dbraw/zinc/76/15/56/386761556.db2.gz KWXOOMHXHYHTSS-LBPRGKRZSA-N 0 3 207.317 3.146 20 0 BGADHN Cc1ccc(CN2CC(C)(C)[C@@H]2C(C)C)cn1 ZINC000353746149 387492208 /nfs/dbraw/zinc/49/22/08/387492208.db2.gz LKTYJGRFNXKQHT-AWEZNQCLSA-N 0 3 232.371 3.256 20 0 BGADHN Cc1ccc(CN2CC(C)(C)[C@H]2C(C)C)cn1 ZINC000353746151 387492587 /nfs/dbraw/zinc/49/25/87/387492587.db2.gz LKTYJGRFNXKQHT-CQSZACIVSA-N 0 3 232.371 3.256 20 0 BGADHN Cc1cccc(CN(C)C[C@H]2CC=CCC2)n1 ZINC000353746870 179066429 /nfs/dbraw/zinc/06/64/29/179066429.db2.gz KYGDBSOMNMPENI-AWEZNQCLSA-N 0 3 230.355 3.178 20 0 BGADHN Cc1cccc(CN(C)C[C@@H]2CC=CCC2)n1 ZINC000353746871 179065728 /nfs/dbraw/zinc/06/57/28/179065728.db2.gz KYGDBSOMNMPENI-CQSZACIVSA-N 0 3 230.355 3.178 20 0 BGADHN CC(C)[C@@H]1N(Cc2cccc(O)c2)CC1(C)C ZINC000353747139 187373377 /nfs/dbraw/zinc/37/33/77/187373377.db2.gz OETRDUWHYLKGLL-AWEZNQCLSA-N 0 3 233.355 3.259 20 0 BGADHN CC(C)[C@H]1N(Cc2cccc(O)c2)CC1(C)C ZINC000353747140 387267275 /nfs/dbraw/zinc/26/72/75/387267275.db2.gz OETRDUWHYLKGLL-CQSZACIVSA-N 0 3 233.355 3.259 20 0 BGADHN CC(C)(C)C(C)(C)NCc1ccn(C(F)F)n1 ZINC000353747650 387267446 /nfs/dbraw/zinc/26/74/46/387267446.db2.gz PTRDZAOKBOFYCV-UHFFFAOYSA-N 0 3 245.317 3.193 20 0 BGADHN COCc1ccc(CNC(C)(C)C(C)(C)C)o1 ZINC000353747791 384540355 /nfs/dbraw/zinc/54/03/55/384540355.db2.gz QGABSCNLKSFWCW-UHFFFAOYSA-N 0 3 239.359 3.340 20 0 BGADHN Cc1ncccc1CN1CC(C)(C)[C@@H]1C(C)C ZINC000353750002 180218503 /nfs/dbraw/zinc/21/85/03/180218503.db2.gz XMRMZZCDLBJTCW-AWEZNQCLSA-N 0 3 232.371 3.256 20 0 BGADHN Cc1ncccc1CN1CC(C)(C)[C@H]1C(C)C ZINC000353750003 180219163 /nfs/dbraw/zinc/21/91/63/180219163.db2.gz XMRMZZCDLBJTCW-CQSZACIVSA-N 0 3 232.371 3.256 20 0 BGADHN CCc1nocc1CN1CC(C)(C)[C@H]1C(C)C ZINC000353750761 172096444 /nfs/dbraw/zinc/09/64/44/172096444.db2.gz ZHQQEHKQRGLNED-CYBMUJFWSA-N 0 3 236.359 3.103 20 0 BGADHN CCc1nocc1CN1CC(C)(C)[C@@H]1C(C)C ZINC000353750762 172096253 /nfs/dbraw/zinc/09/62/53/172096253.db2.gz ZHQQEHKQRGLNED-ZDUSSCGKSA-N 0 3 236.359 3.103 20 0 BGADHN CC1CCC(CN2CCOC3(CCC3)C2)CC1 ZINC000353756584 168152881 /nfs/dbraw/zinc/15/28/81/168152881.db2.gz WHKFSUXPWCWCPP-UHFFFAOYSA-N 0 3 237.387 3.068 20 0 BGADHN Cc1cccc(CN(C)CC2CCCCC2)n1 ZINC000353765346 353250869 /nfs/dbraw/zinc/25/08/69/353250869.db2.gz CCYFIHRHWSNRRB-UHFFFAOYSA-N 0 3 232.371 3.402 20 0 BGADHN CC1CCC(CN(C)Cc2ccccn2)CC1 ZINC000353771052 168153828 /nfs/dbraw/zinc/15/38/28/168153828.db2.gz WMHXZOKZTPDPPA-UHFFFAOYSA-N 0 3 232.371 3.340 20 0 BGADHN CO[C@H](C)CN(Cc1cccc(F)c1)C(C)C ZINC000353775287 387271585 /nfs/dbraw/zinc/27/15/85/387271585.db2.gz LIDMPPOECOKOKN-GFCCVEGCSA-N 0 3 239.334 3.071 20 0 BGADHN CO[C@@H](C)CN(Cc1cccc(F)c1)C(C)C ZINC000353775288 387268010 /nfs/dbraw/zinc/26/80/10/387268010.db2.gz LIDMPPOECOKOKN-LBPRGKRZSA-N 0 3 239.334 3.071 20 0 BGADHN CO[C@@H](C)CN(Cc1ccc(Cl)o1)C(C)C ZINC000353787862 387275060 /nfs/dbraw/zinc/27/50/60/387275060.db2.gz BDZIYZWFELBKAH-JTQLQIEISA-N 0 3 245.750 3.178 20 0 BGADHN CO[C@H](C)CN(Cc1ccc(Cl)o1)C(C)C ZINC000353787864 387273994 /nfs/dbraw/zinc/27/39/94/387273994.db2.gz BDZIYZWFELBKAH-SNVBAGLBSA-N 0 3 245.750 3.178 20 0 BGADHN CCN(Cc1ccccc1OC)C1CCC1 ZINC000353799629 356719695 /nfs/dbraw/zinc/71/96/95/356719695.db2.gz AYLPQNISPVBMBW-UHFFFAOYSA-N 0 3 219.328 3.070 20 0 BGADHN CC[C@H](C)[C@@H]1CCCCN1Cc1nccn1CC ZINC000353799632 171382263 /nfs/dbraw/zinc/38/22/63/171382263.db2.gz AZCSIZMIJWXVOL-KBPBESRZSA-N 0 3 249.402 3.304 20 0 BGADHN CC[C@@H](C)[C@@H]1CCCCN1Cc1nccn1CC ZINC000353799633 387277886 /nfs/dbraw/zinc/27/78/86/387277886.db2.gz AZCSIZMIJWXVOL-KGLIPLIRSA-N 0 3 249.402 3.304 20 0 BGADHN CC[C@H](C)[C@H]1CCCCN1Cc1nccn1CC ZINC000353799634 387277726 /nfs/dbraw/zinc/27/77/26/387277726.db2.gz AZCSIZMIJWXVOL-UONOGXRCSA-N 0 3 249.402 3.304 20 0 BGADHN CC[C@@H](C)[C@H]1CCCCN1Cc1nccn1CC ZINC000353799635 387276940 /nfs/dbraw/zinc/27/69/40/387276940.db2.gz AZCSIZMIJWXVOL-ZIAGYGMSSA-N 0 3 249.402 3.304 20 0 BGADHN CCN(Cc1cccc(OC)c1OC)C1CCC1 ZINC000353799783 356719308 /nfs/dbraw/zinc/71/93/08/356719308.db2.gz AHABXWYTSINGHE-UHFFFAOYSA-N 0 3 249.354 3.078 20 0 BGADHN CO[C@H](C)CN(Cc1ccccc1F)C(C)C ZINC000353799900 387276433 /nfs/dbraw/zinc/27/64/33/387276433.db2.gz XOQUDAQTJNSABP-GFCCVEGCSA-N 0 3 239.334 3.071 20 0 BGADHN CO[C@@H](C)CN(Cc1ccccc1F)C(C)C ZINC000353799902 387276693 /nfs/dbraw/zinc/27/66/93/387276693.db2.gz XOQUDAQTJNSABP-LBPRGKRZSA-N 0 3 239.334 3.071 20 0 BGADHN CC[C@@H](C)[C@@H]1CCCCN1Cc1cnc(C)cn1 ZINC000353800271 387276971 /nfs/dbraw/zinc/27/69/71/387276971.db2.gz CAZDDXLPXFPDSM-DOMZBBRYSA-N 0 3 247.386 3.186 20 0 BGADHN CC[C@@H](C)[C@H]1CCCCN1Cc1cnc(C)cn1 ZINC000353800272 387276573 /nfs/dbraw/zinc/27/65/73/387276573.db2.gz CAZDDXLPXFPDSM-IUODEOHRSA-N 0 3 247.386 3.186 20 0 BGADHN CC[C@H](C)[C@H]1CCCCN1Cc1cnc(C)cn1 ZINC000353800273 387277124 /nfs/dbraw/zinc/27/71/24/387277124.db2.gz CAZDDXLPXFPDSM-SWLSCSKDSA-N 0 3 247.386 3.186 20 0 BGADHN CC[C@H](C)[C@@H]1CCCCN1Cc1cnc(C)cn1 ZINC000353800274 171381919 /nfs/dbraw/zinc/38/19/19/171381919.db2.gz CAZDDXLPXFPDSM-WFASDCNBSA-N 0 3 247.386 3.186 20 0 BGADHN CC[C@H](C)[C@H]1CCCCN1Cc1ccnn1CC ZINC000353802786 387277657 /nfs/dbraw/zinc/27/76/57/387277657.db2.gz IZULZONPPMWBKV-DZGCQCFKSA-N 0 3 249.402 3.304 20 0 BGADHN CC[C@@H](C)[C@@H]1CCCCN1Cc1ccnn1CC ZINC000353802787 387277025 /nfs/dbraw/zinc/27/70/25/387277025.db2.gz IZULZONPPMWBKV-HIFRSBDPSA-N 0 3 249.402 3.304 20 0 BGADHN CC[C@@H](C)[C@H]1CCCCN1Cc1ccnn1CC ZINC000353802788 387277059 /nfs/dbraw/zinc/27/70/59/387277059.db2.gz IZULZONPPMWBKV-UKRRQHHQSA-N 0 3 249.402 3.304 20 0 BGADHN CC[C@H](C)[C@@H]1CCCCN1Cc1ccnn1CC ZINC000353802789 171381687 /nfs/dbraw/zinc/38/16/87/171381687.db2.gz IZULZONPPMWBKV-ZFWWWQNUSA-N 0 3 249.402 3.304 20 0 BGADHN CCN(Cc1ccc(F)cc1F)C1CCC1 ZINC000353803599 356719549 /nfs/dbraw/zinc/71/95/49/356719549.db2.gz KQJNOKCNOIJXQL-UHFFFAOYSA-N 0 3 225.282 3.339 20 0 BGADHN C[C@@H]1CC[C@H]1N[C@@H]1CCc2c1c(F)ccc2F ZINC000353803609 353631363 /nfs/dbraw/zinc/63/13/63/353631363.db2.gz KROLEQJBATWFJD-BZHVJNSISA-N 0 3 237.293 3.340 20 0 BGADHN C[C@@H]1CC[C@@H]1N[C@H]1CCc2c1c(F)ccc2F ZINC000353803610 353631022 /nfs/dbraw/zinc/63/10/22/353631022.db2.gz KROLEQJBATWFJD-JCOFBHIZSA-N 0 3 237.293 3.340 20 0 BGADHN C[C@@H]1CC[C@@H]1N[C@@H]1CCc2c1c(F)ccc2F ZINC000353803611 353631113 /nfs/dbraw/zinc/63/11/13/353631113.db2.gz KROLEQJBATWFJD-OXHMUOHRSA-N 0 3 237.293 3.340 20 0 BGADHN C[C@@H]1CC[C@H]1N[C@H]1CCc2c1c(F)ccc2F ZINC000353803612 353631275 /nfs/dbraw/zinc/63/12/75/353631275.db2.gz KROLEQJBATWFJD-WQHBLYJGSA-N 0 3 237.293 3.340 20 0 BGADHN CCOc1ccccc1CN(CC)C1CCC1 ZINC000353803700 387277852 /nfs/dbraw/zinc/27/78/52/387277852.db2.gz LNDGGCLQUINCAL-UHFFFAOYSA-N 0 3 233.355 3.460 20 0 BGADHN CCN(Cc1ccccc1F)C1CCC1 ZINC000353804457 356720209 /nfs/dbraw/zinc/72/02/09/356720209.db2.gz MOFMAKMTEUIOLQ-UHFFFAOYSA-N 0 3 207.292 3.200 20 0 BGADHN CCN(Cc1ccccc1NC(C)=O)C1CCC1 ZINC000353804514 356720860 /nfs/dbraw/zinc/72/08/60/356720860.db2.gz MWKCTLOGSPCJND-UHFFFAOYSA-N 0 3 246.354 3.019 20 0 BGADHN CCN(Cc1cc(OC)ccc1OC)C1CCC1 ZINC000353808214 353711768 /nfs/dbraw/zinc/71/17/68/353711768.db2.gz SDNKOPDZVSOKPO-UHFFFAOYSA-N 0 3 249.354 3.078 20 0 BGADHN CCN(Cc1cnn(C(C)(C)C)c1)C1CCC1 ZINC000353810316 169930606 /nfs/dbraw/zinc/93/06/06/169930606.db2.gz CUJOCGIBNJCFSG-UHFFFAOYSA-N 0 3 235.375 3.013 20 0 BGADHN CCc1ccc(CN(C[C@@H](C)OC)C(C)C)o1 ZINC000353812010 387279544 /nfs/dbraw/zinc/27/95/44/387279544.db2.gz OHVQZCXNDAHBRL-GFCCVEGCSA-N 0 3 239.359 3.087 20 0 BGADHN CCc1ccc(CN(C[C@H](C)OC)C(C)C)o1 ZINC000353812011 171796776 /nfs/dbraw/zinc/79/67/76/171796776.db2.gz OHVQZCXNDAHBRL-LBPRGKRZSA-N 0 3 239.359 3.087 20 0 BGADHN CCN(Cc1c(C)nc2ccccn21)C1CCC1 ZINC000353812919 387280450 /nfs/dbraw/zinc/28/04/50/387280450.db2.gz XZQOGBOJRRPRHS-UHFFFAOYSA-N 0 3 243.354 3.017 20 0 BGADHN CCN(Cc1c[nH]nc1C(C)(C)C)C1CCC1 ZINC000353812965 169900521 /nfs/dbraw/zinc/90/05/21/169900521.db2.gz YHCHSNMZVQXFRT-UHFFFAOYSA-N 0 3 235.375 3.082 20 0 BGADHN CCc1ccc(CN(CC)C2CCC2)o1 ZINC000353814437 353767336 /nfs/dbraw/zinc/76/73/36/353767336.db2.gz CLXGUKZAOJUKQX-UHFFFAOYSA-N 0 3 207.317 3.216 20 0 BGADHN C[C@@H]1CC[C@H]1N[C@H](c1ncc[nH]1)C1CCCCC1 ZINC000353816467 176237656 /nfs/dbraw/zinc/23/76/56/176237656.db2.gz MOVRJEUMLJLDEQ-BNOWGMLFSA-N 0 3 247.386 3.419 20 0 BGADHN C[C@@H]1CC[C@@H]1N[C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000353816468 176217819 /nfs/dbraw/zinc/21/78/19/176217819.db2.gz MOVRJEUMLJLDEQ-KWCYVHTRSA-N 0 3 247.386 3.419 20 0 BGADHN C[C@@H]1CC[C@H]1N[C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000353816703 176237349 /nfs/dbraw/zinc/23/73/49/176237349.db2.gz MOVRJEUMLJLDEQ-MRVWCRGKSA-N 0 3 247.386 3.419 20 0 BGADHN C[C@@H]1CC[C@@H]1N[C@H](c1ncc[nH]1)C1CCCCC1 ZINC000353816704 176217763 /nfs/dbraw/zinc/21/77/63/176217763.db2.gz MOVRJEUMLJLDEQ-XBFCOCLRSA-N 0 3 247.386 3.419 20 0 BGADHN CCCn1nc(C)c(CN(CC)C2CCC2)c1C ZINC000353817798 387279357 /nfs/dbraw/zinc/27/93/57/387279357.db2.gz OLIRBPUJLWJJNV-UHFFFAOYSA-N 0 3 249.402 3.284 20 0 BGADHN CC(C)C[C@@H]1CCCCCN1Cc1ccn(C)n1 ZINC000353817872 387279427 /nfs/dbraw/zinc/27/94/27/387279427.db2.gz GVKOZALIWUIXCP-HNNXBMFYSA-N 0 3 249.402 3.211 20 0 BGADHN CC(C)C[C@H]1CCCCCN1Cc1ccn(C)n1 ZINC000353817873 387280534 /nfs/dbraw/zinc/28/05/34/387280534.db2.gz GVKOZALIWUIXCP-OAHLLOKOSA-N 0 3 249.402 3.211 20 0 BGADHN CCN(Cc1cc(F)cc(F)c1)C1CCC1 ZINC000353819108 356721960 /nfs/dbraw/zinc/72/19/60/356721960.db2.gz PSLSNRCFSSUUDC-UHFFFAOYSA-N 0 3 225.282 3.339 20 0 BGADHN CCN(Cc1cnc2ccc(C)cn12)C1CCC1 ZINC000353819995 356721776 /nfs/dbraw/zinc/72/17/76/356721776.db2.gz QODTXMGOHVHPMM-UHFFFAOYSA-N 0 3 243.354 3.017 20 0 BGADHN CCN(Cc1ccc(Cl)o1)C1CCC1 ZINC000353822012 356721340 /nfs/dbraw/zinc/72/13/40/356721340.db2.gz TZEKXPNZGZZEAP-UHFFFAOYSA-N 0 3 213.708 3.307 20 0 BGADHN CCN(Cc1cccc(F)c1F)C1CCC1 ZINC000353822249 356721237 /nfs/dbraw/zinc/72/12/37/356721237.db2.gz UOQFTRBZHYKWCC-UHFFFAOYSA-N 0 3 225.282 3.339 20 0 BGADHN CCc1ncc(CN(CC)C2CCC2)s1 ZINC000353822996 188234182 /nfs/dbraw/zinc/23/41/82/188234182.db2.gz VLIGKBWJAQNLRL-UHFFFAOYSA-N 0 3 224.373 3.080 20 0 BGADHN CCN(Cc1cc(F)c(F)c(F)c1)C1CCC1 ZINC000353824833 353815007 /nfs/dbraw/zinc/81/50/07/353815007.db2.gz NGORXBAIRIBBQG-UHFFFAOYSA-N 0 3 243.272 3.478 20 0 BGADHN CCN(Cc1cc(F)ccc1F)C1CCC1 ZINC000353826455 356721969 /nfs/dbraw/zinc/72/19/69/356721969.db2.gz PLIUWUNSKXEZQP-UHFFFAOYSA-N 0 3 225.282 3.339 20 0 BGADHN CCN(Cc1cnc2cc(C)ccn12)C1CCC1 ZINC000353828750 353836747 /nfs/dbraw/zinc/83/67/47/353836747.db2.gz SCKCVOURBPSPOE-UHFFFAOYSA-N 0 3 243.354 3.017 20 0 BGADHN CCN(Cc1cnc2cccc(C)n12)C1CCC1 ZINC000353829383 356721919 /nfs/dbraw/zinc/72/19/19/356721919.db2.gz SNTOVCZRLNIPIX-UHFFFAOYSA-N 0 3 243.354 3.017 20 0 BGADHN CCN(Cc1cnc2c(C)cccn12)C1CCC1 ZINC000353833539 356721186 /nfs/dbraw/zinc/72/11/86/356721186.db2.gz ZTYORUOWXMBXPH-UHFFFAOYSA-N 0 3 243.354 3.017 20 0 BGADHN CO[C@H]1CCN(Cc2ccc(CC(C)C)cc2)C1 ZINC000353842459 387282490 /nfs/dbraw/zinc/28/24/90/387282490.db2.gz GWKUBJPAIMJOCF-INIZCTEOSA-N 0 3 247.382 3.106 20 0 BGADHN CO[C@@H]1CCN(Cc2ccc(CC(C)C)cc2)C1 ZINC000353842462 387283230 /nfs/dbraw/zinc/28/32/30/387283230.db2.gz GWKUBJPAIMJOCF-MRXNPFEDSA-N 0 3 247.382 3.106 20 0 BGADHN CCOc1cccc(CN2CC=C(C)CC2)c1 ZINC000353844995 387281820 /nfs/dbraw/zinc/28/18/20/387281820.db2.gz LPDHBPUROLKGCO-UHFFFAOYSA-N 0 3 231.339 3.237 20 0 BGADHN CC[C@H]1CN(Cc2ccc(C)cc2)CCS1 ZINC000353845014 387283395 /nfs/dbraw/zinc/28/33/95/387283395.db2.gz LSZWMBHOAYXPAI-AWEZNQCLSA-N 0 3 235.396 3.322 20 0 BGADHN CC[C@@H]1CN(Cc2ccc(C)cc2)CCS1 ZINC000353845016 171089609 /nfs/dbraw/zinc/08/96/09/171089609.db2.gz LSZWMBHOAYXPAI-CQSZACIVSA-N 0 3 235.396 3.322 20 0 BGADHN CCc1ncc(CN2C[C@H](C)CC[C@H]2C)s1 ZINC000353845814 172017554 /nfs/dbraw/zinc/01/75/54/172017554.db2.gz NTIJBELIMUTVKT-GHMZBOCLSA-N 0 3 238.400 3.326 20 0 BGADHN CCc1ncc(CN2C[C@@H](C)CC[C@H]2C)s1 ZINC000353845815 172017287 /nfs/dbraw/zinc/01/72/87/172017287.db2.gz NTIJBELIMUTVKT-WDEREUQCSA-N 0 3 238.400 3.326 20 0 BGADHN CCc1ncc(CN2C[C@@H](C)CC2(C)C)s1 ZINC000353846709 172017041 /nfs/dbraw/zinc/01/70/41/172017041.db2.gz QRUUFTUKGQVWAG-JTQLQIEISA-N 0 3 238.400 3.326 20 0 BGADHN CCc1ncc(CN2C[C@H](C)CC2(C)C)s1 ZINC000353846710 172016918 /nfs/dbraw/zinc/01/69/18/172016918.db2.gz QRUUFTUKGQVWAG-SNVBAGLBSA-N 0 3 238.400 3.326 20 0 BGADHN Cn1cccc1CN1CCC[C@@H]2CCCC[C@H]21 ZINC000353847790 387285252 /nfs/dbraw/zinc/28/52/52/387285252.db2.gz TVFWFBPJPFUSQS-DZGCQCFKSA-N 0 3 232.371 3.180 20 0 BGADHN Cn1cccc1CN1CCC[C@H]2CCCC[C@@H]21 ZINC000353847791 387285127 /nfs/dbraw/zinc/28/51/27/387285127.db2.gz TVFWFBPJPFUSQS-HIFRSBDPSA-N 0 3 232.371 3.180 20 0 BGADHN Cn1cccc1CN1CCC[C@@H]2CCCC[C@@H]21 ZINC000353847792 387285153 /nfs/dbraw/zinc/28/51/53/387285153.db2.gz TVFWFBPJPFUSQS-ZFWWWQNUSA-N 0 3 232.371 3.180 20 0 BGADHN CC[C@H]1CN(Cc2cccc(C)c2)CCS1 ZINC000353848326 387284420 /nfs/dbraw/zinc/28/44/20/387284420.db2.gz VLVCEBWODBSJEV-AWEZNQCLSA-N 0 3 235.396 3.322 20 0 BGADHN CC[C@@H]1CN(Cc2cccc(C)c2)CCS1 ZINC000353848327 387284129 /nfs/dbraw/zinc/28/41/29/387284129.db2.gz VLVCEBWODBSJEV-CQSZACIVSA-N 0 3 235.396 3.322 20 0 BGADHN CCc1ccc(CN2CC[C@@H](C)[C@@H](C)C2)o1 ZINC000353849739 354186503 /nfs/dbraw/zinc/18/65/03/354186503.db2.gz ZCILALFQJDQCMZ-NEPJUHHUSA-N 0 3 221.344 3.320 20 0 BGADHN CCc1ccc(CN2CC[C@H](C)[C@H](C)C2)o1 ZINC000353849740 354186172 /nfs/dbraw/zinc/18/61/72/354186172.db2.gz ZCILALFQJDQCMZ-NWDGAFQWSA-N 0 3 221.344 3.320 20 0 BGADHN CCc1ccc(CN2CC[C@H](C)[C@@H](C)C2)o1 ZINC000353849741 354186201 /nfs/dbraw/zinc/18/62/01/354186201.db2.gz ZCILALFQJDQCMZ-RYUDHWBXSA-N 0 3 221.344 3.320 20 0 BGADHN CCc1ccc(CN2CC[C@@H](C)[C@H](C)C2)o1 ZINC000353849742 354186277 /nfs/dbraw/zinc/18/62/77/354186277.db2.gz ZCILALFQJDQCMZ-VXGBXAGGSA-N 0 3 221.344 3.320 20 0 BGADHN CO[C@H]1CCN(Cc2ccc(C(C)C)cc2)C1 ZINC000353851716 387284665 /nfs/dbraw/zinc/28/46/65/387284665.db2.gz AGUHOOKCDHCSTM-HNNXBMFYSA-N 0 3 233.355 3.031 20 0 BGADHN CO[C@@H]1CCN(Cc2ccc(C(C)C)cc2)C1 ZINC000353851718 387284505 /nfs/dbraw/zinc/28/45/05/387284505.db2.gz AGUHOOKCDHCSTM-OAHLLOKOSA-N 0 3 233.355 3.031 20 0 BGADHN C[C@@H]1CC[C@H](C)N(Cc2cccc3c2OCO3)C1 ZINC000353853413 177184182 /nfs/dbraw/zinc/18/41/82/177184182.db2.gz FYTONJVJAJUORG-NEPJUHHUSA-N 0 3 247.338 3.036 20 0 BGADHN C[C@@H]1CC[C@H](C)CN1Cc1cccc2c1OCO2 ZINC000353853426 177184697 /nfs/dbraw/zinc/18/46/97/177184697.db2.gz FYTONJVJAJUORG-NWDGAFQWSA-N 0 3 247.338 3.036 20 0 BGADHN C[C@H]1CC[C@H](C)N(Cc2cccc3c2OCO3)C1 ZINC000353853430 177198312 /nfs/dbraw/zinc/19/83/12/177198312.db2.gz FYTONJVJAJUORG-RYUDHWBXSA-N 0 3 247.338 3.036 20 0 BGADHN C[C@@H]1CC[C@@H](C)N(Cc2cccc3c2OCO3)C1 ZINC000353853435 176197774 /nfs/dbraw/zinc/19/77/74/176197774.db2.gz FYTONJVJAJUORG-VXGBXAGGSA-N 0 3 247.338 3.036 20 0 BGADHN CCN(Cc1ccc(F)c(F)c1)C1CCC1 ZINC000353854758 354322186 /nfs/dbraw/zinc/32/21/86/354322186.db2.gz ADYOEIPTMDPLEI-UHFFFAOYSA-N 0 3 225.282 3.339 20 0 BGADHN CC(C)CC[C@H](C)N[C@@H](c1nccn1C)C1CC1 ZINC000353856568 356723286 /nfs/dbraw/zinc/72/32/86/356723286.db2.gz BNZWSDCIAKGGHZ-GXTWGEPZSA-N 0 3 249.402 3.286 20 0 BGADHN CC(C)CC[C@H](C)N[C@H](c1nccn1C)C1CC1 ZINC000353856569 356723333 /nfs/dbraw/zinc/72/33/33/356723333.db2.gz BNZWSDCIAKGGHZ-JSGCOSHPSA-N 0 3 249.402 3.286 20 0 BGADHN CC(C)CC[C@@H](C)N[C@H](c1nccn1C)C1CC1 ZINC000353856570 387284290 /nfs/dbraw/zinc/28/42/90/387284290.db2.gz BNZWSDCIAKGGHZ-OCCSQVGLSA-N 0 3 249.402 3.286 20 0 BGADHN CC(C)CC[C@@H](C)N[C@@H](c1nccn1C)C1CC1 ZINC000353856571 387285379 /nfs/dbraw/zinc/28/53/79/387285379.db2.gz BNZWSDCIAKGGHZ-TZMCWYRMSA-N 0 3 249.402 3.286 20 0 BGADHN CCOc1cccc(CN2C[C@H](C)CC2(C)C)n1 ZINC000353857925 387287766 /nfs/dbraw/zinc/28/77/66/387287766.db2.gz TXCFMBKQVUFYTG-GFCCVEGCSA-N 0 3 248.370 3.101 20 0 BGADHN CCOc1cccc(CN2C[C@@H](C)CC2(C)C)n1 ZINC000353857926 387287816 /nfs/dbraw/zinc/28/78/16/387287816.db2.gz TXCFMBKQVUFYTG-LBPRGKRZSA-N 0 3 248.370 3.101 20 0 BGADHN CCc1ccc(CN2C[C@H](C)CC[C@@H]2C)o1 ZINC000353857927 387287421 /nfs/dbraw/zinc/28/74/21/387287421.db2.gz TXIXJQIKUQVKRF-NEPJUHHUSA-N 0 3 221.344 3.462 20 0 BGADHN CCc1ccc(CN2C[C@@H](C)CC[C@H]2C)o1 ZINC000353857928 387288186 /nfs/dbraw/zinc/28/81/86/387288186.db2.gz TXIXJQIKUQVKRF-NWDGAFQWSA-N 0 3 221.344 3.462 20 0 BGADHN CCc1ccc(CN2C[C@@H](C)CC[C@@H]2C)o1 ZINC000353857929 387287358 /nfs/dbraw/zinc/28/73/58/387287358.db2.gz TXIXJQIKUQVKRF-RYUDHWBXSA-N 0 3 221.344 3.462 20 0 BGADHN CCc1ccc(CN2C[C@H](C)CC[C@H]2C)o1 ZINC000353857930 387287902 /nfs/dbraw/zinc/28/79/02/387287902.db2.gz TXIXJQIKUQVKRF-VXGBXAGGSA-N 0 3 221.344 3.462 20 0 BGADHN C[C@@H]1CCCC[C@H]1N[C@H](c1nccn1C)C1CC1 ZINC000353858425 176089208 /nfs/dbraw/zinc/08/92/08/176089208.db2.gz CSLSOCYYTUJVNS-BNOWGMLFSA-N 0 3 247.386 3.040 20 0 BGADHN C[C@@H]1CCCC[C@@H]1N[C@@H](c1nccn1C)C1CC1 ZINC000353858426 176081814 /nfs/dbraw/zinc/08/18/14/176081814.db2.gz CSLSOCYYTUJVNS-KWCYVHTRSA-N 0 3 247.386 3.040 20 0 BGADHN C[C@@H]1CCCC[C@H]1N[C@@H](c1nccn1C)C1CC1 ZINC000353858427 176088653 /nfs/dbraw/zinc/08/86/53/176088653.db2.gz CSLSOCYYTUJVNS-MRVWCRGKSA-N 0 3 247.386 3.040 20 0 BGADHN C[C@@H]1CCCC[C@@H]1N[C@H](c1nccn1C)C1CC1 ZINC000353858428 176082032 /nfs/dbraw/zinc/08/20/32/176082032.db2.gz CSLSOCYYTUJVNS-XBFCOCLRSA-N 0 3 247.386 3.040 20 0 BGADHN CC(C)Cc1ccc(CN(C)CC[C@H](C)O)cc1 ZINC000353859955 188062070 /nfs/dbraw/zinc/06/20/70/188062070.db2.gz XHOSTSSTGZDWTO-AWEZNQCLSA-N 0 3 249.398 3.088 20 0 BGADHN CC(C)Cc1ccc(CN(C)CC[C@@H](C)O)cc1 ZINC000353859958 187373105 /nfs/dbraw/zinc/37/31/05/187373105.db2.gz XHOSTSSTGZDWTO-CQSZACIVSA-N 0 3 249.398 3.088 20 0 BGADHN Cc1ccc(CN2CC=C(C)CC2)s1 ZINC000353861901 168115592 /nfs/dbraw/zinc/11/55/92/168115592.db2.gz AYRUAVHHJNOAJX-UHFFFAOYSA-N 0 3 207.342 3.209 20 0 BGADHN CC(C)n1cc(CN2C[C@H](C)CC2(C)C)cn1 ZINC000353864758 387288356 /nfs/dbraw/zinc/28/83/56/387288356.db2.gz JJUACNMOJQJJEK-GFCCVEGCSA-N 0 3 235.375 3.084 20 0 BGADHN CC(C)n1cc(CN2C[C@@H](C)CC2(C)C)cn1 ZINC000353864759 387286786 /nfs/dbraw/zinc/28/67/86/387286786.db2.gz JJUACNMOJQJJEK-LBPRGKRZSA-N 0 3 235.375 3.084 20 0 BGADHN CCCC[C@H](C)N[C@H](c1nccn1C)C1CC1 ZINC000353865150 356723375 /nfs/dbraw/zinc/72/33/75/356723375.db2.gz JZOPBYFRMXZWBY-AAEUAGOBSA-N 0 3 235.375 3.040 20 0 BGADHN CCCC[C@@H](C)N[C@@H](c1nccn1C)C1CC1 ZINC000353865151 356723351 /nfs/dbraw/zinc/72/33/51/356723351.db2.gz JZOPBYFRMXZWBY-DGCLKSJQSA-N 0 3 235.375 3.040 20 0 BGADHN CCCC[C@H](C)N[C@@H](c1nccn1C)C1CC1 ZINC000353865152 356723064 /nfs/dbraw/zinc/72/30/64/356723064.db2.gz JZOPBYFRMXZWBY-WCQYABFASA-N 0 3 235.375 3.040 20 0 BGADHN CCCC[C@@H](C)N[C@H](c1nccn1C)C1CC1 ZINC000353865153 356723297 /nfs/dbraw/zinc/72/32/97/356723297.db2.gz JZOPBYFRMXZWBY-YPMHNXCESA-N 0 3 235.375 3.040 20 0 BGADHN CSCCN(C)Cc1cc(C)c(C)cc1C ZINC000353866565 387288369 /nfs/dbraw/zinc/28/83/69/387288369.db2.gz ICQHUWHBGUVOKZ-UHFFFAOYSA-N 0 3 237.412 3.407 20 0 BGADHN C[C@H]1CN(Cc2nc3ccccc3[nH]2)C(C)(C)C1 ZINC000353867037 177270854 /nfs/dbraw/zinc/27/08/54/177270854.db2.gz NHNRAANZCKUNSV-LLVKDONJSA-N 0 3 243.354 3.183 20 0 BGADHN C[C@@H]1CN(Cc2nc3ccccc3[nH]2)C(C)(C)C1 ZINC000353867039 176311627 /nfs/dbraw/zinc/31/16/27/176311627.db2.gz NHNRAANZCKUNSV-NSHDSACASA-N 0 3 243.354 3.183 20 0 BGADHN CCOc1cccc(CN2C[C@H](C)CC[C@H]2C)n1 ZINC000353867063 387287625 /nfs/dbraw/zinc/28/76/25/387287625.db2.gz NKJRCPSYKNQFHT-CHWSQXEVSA-N 0 3 248.370 3.101 20 0 BGADHN CCOc1cccc(CN2C[C@H](C)CC[C@@H]2C)n1 ZINC000353867064 387287804 /nfs/dbraw/zinc/28/78/04/387287804.db2.gz NKJRCPSYKNQFHT-OLZOCXBDSA-N 0 3 248.370 3.101 20 0 BGADHN CCOc1cccc(CN2C[C@@H](C)CC[C@H]2C)n1 ZINC000353867065 387287573 /nfs/dbraw/zinc/28/75/73/387287573.db2.gz NKJRCPSYKNQFHT-QWHCGFSZSA-N 0 3 248.370 3.101 20 0 BGADHN CCOc1cccc(CN2C[C@@H](C)CC[C@@H]2C)n1 ZINC000353867066 354652694 /nfs/dbraw/zinc/65/26/94/354652694.db2.gz NKJRCPSYKNQFHT-STQMWFEESA-N 0 3 248.370 3.101 20 0 BGADHN CCC[C@@H](CC)N[C@@H](c1nccn1C)C1CC1 ZINC000353869425 354657414 /nfs/dbraw/zinc/65/74/14/354657414.db2.gz KOBCXJBHJRZRJD-CHWSQXEVSA-N 0 3 235.375 3.040 20 0 BGADHN CCC[C@@H](CC)N[C@H](c1nccn1C)C1CC1 ZINC000353869426 354657983 /nfs/dbraw/zinc/65/79/83/354657983.db2.gz KOBCXJBHJRZRJD-OLZOCXBDSA-N 0 3 235.375 3.040 20 0 BGADHN CCC[C@H](CC)N[C@@H](c1nccn1C)C1CC1 ZINC000353869427 354658109 /nfs/dbraw/zinc/65/81/09/354658109.db2.gz KOBCXJBHJRZRJD-QWHCGFSZSA-N 0 3 235.375 3.040 20 0 BGADHN CCC[C@H](CC)N[C@H](c1nccn1C)C1CC1 ZINC000353869428 354658252 /nfs/dbraw/zinc/65/82/52/354658252.db2.gz KOBCXJBHJRZRJD-STQMWFEESA-N 0 3 235.375 3.040 20 0 BGADHN CCN(Cc1sccc1OC)C1CCC1 ZINC000353871453 356723560 /nfs/dbraw/zinc/72/35/60/356723560.db2.gz LYVUBSFUHRUYAB-UHFFFAOYSA-N 0 3 225.357 3.131 20 0 BGADHN COc1ccc(CN2CC=C(C)CC2)cc1C ZINC000353871826 175098288 /nfs/dbraw/zinc/09/82/88/175098288.db2.gz UERSABNRLGEQOP-UHFFFAOYSA-N 0 3 231.339 3.156 20 0 BGADHN Cc1ccc(CN2CCS[C@H](C)[C@H]2C)cc1 ZINC000353875519 354771017 /nfs/dbraw/zinc/77/10/17/354771017.db2.gz ZLBIIFIDLRNWHX-CHWSQXEVSA-N 0 3 235.396 3.321 20 0 BGADHN Cc1ccc(CN2CCS[C@@H](C)[C@H]2C)cc1 ZINC000353875520 354771212 /nfs/dbraw/zinc/77/12/12/354771212.db2.gz ZLBIIFIDLRNWHX-OLZOCXBDSA-N 0 3 235.396 3.321 20 0 BGADHN Cc1ccc(CN2CCS[C@H](C)[C@@H]2C)cc1 ZINC000353875521 354771194 /nfs/dbraw/zinc/77/11/94/354771194.db2.gz ZLBIIFIDLRNWHX-QWHCGFSZSA-N 0 3 235.396 3.321 20 0 BGADHN Cc1ccc(CN2CCS[C@@H](C)[C@@H]2C)cc1 ZINC000353875522 354771071 /nfs/dbraw/zinc/77/10/71/354771071.db2.gz ZLBIIFIDLRNWHX-STQMWFEESA-N 0 3 235.396 3.321 20 0 BGADHN CO[C@@H]1CCN(Cc2ccc3ccccc3c2)C1 ZINC000353875690 387290220 /nfs/dbraw/zinc/29/02/20/387290220.db2.gz ZVPWAZJPXMFIHL-MRXNPFEDSA-N 0 3 241.334 3.061 20 0 BGADHN CCn1cc(CN2CCC[C@H]3CCCC[C@@H]32)cn1 ZINC000353879271 354839131 /nfs/dbraw/zinc/83/91/31/354839131.db2.gz GNIABECRAKWDFV-CABCVRRESA-N 0 3 247.386 3.058 20 0 BGADHN CCn1cc(CN2CCC[C@@H]3CCCC[C@@H]32)cn1 ZINC000353879274 354839358 /nfs/dbraw/zinc/83/93/58/354839358.db2.gz GNIABECRAKWDFV-GJZGRUSLSA-N 0 3 247.386 3.058 20 0 BGADHN CCn1cc(CN2CCC[C@@H]3CCCC[C@H]32)cn1 ZINC000353879279 354839325 /nfs/dbraw/zinc/83/93/25/354839325.db2.gz GNIABECRAKWDFV-LSDHHAIUSA-N 0 3 247.386 3.058 20 0 BGADHN Cc1n[nH]c(C)c1CN1CCC[C@@H]2CCCC[C@H]21 ZINC000353879525 387288909 /nfs/dbraw/zinc/28/89/09/387288909.db2.gz ONNMLYGGWVZNIJ-DZGCQCFKSA-N 0 3 247.386 3.181 20 0 BGADHN Cc1n[nH]c(C)c1CN1CCC[C@H]2CCCC[C@@H]21 ZINC000353879526 387288844 /nfs/dbraw/zinc/28/88/44/387288844.db2.gz ONNMLYGGWVZNIJ-HIFRSBDPSA-N 0 3 247.386 3.181 20 0 BGADHN Cc1n[nH]c(C)c1CN1CCC[C@@H]2CCCC[C@@H]21 ZINC000353879527 387289112 /nfs/dbraw/zinc/28/91/12/387289112.db2.gz ONNMLYGGWVZNIJ-ZFWWWQNUSA-N 0 3 247.386 3.181 20 0 BGADHN Cc1cnc(CN(C)C2CCC(C)(C)CC2)cn1 ZINC000353879665 387289871 /nfs/dbraw/zinc/28/98/71/387289871.db2.gz HCSCSCPQORPCGI-UHFFFAOYSA-N 0 3 247.386 3.186 20 0 BGADHN Cc1ccc(CN2C[C@H](C)CC[C@H]2C)nc1 ZINC000353880872 387290490 /nfs/dbraw/zinc/29/04/90/387290490.db2.gz KQIXNSYBGDTJKR-CHWSQXEVSA-N 0 3 218.344 3.010 20 0 BGADHN Cc1ccc(CN2C[C@@H](C)CC[C@H]2C)nc1 ZINC000353881179 387289490 /nfs/dbraw/zinc/28/94/90/387289490.db2.gz KQIXNSYBGDTJKR-QWHCGFSZSA-N 0 3 218.344 3.010 20 0 BGADHN Cc1cc(F)ccc1CN1CC=C(C)CC1 ZINC000353881737 168116411 /nfs/dbraw/zinc/11/64/11/168116411.db2.gz MXYYHVRDAATUHN-UHFFFAOYSA-N 0 3 219.303 3.286 20 0 BGADHN Cc1ccc(CN2CCSC(C)(C)C2)cc1 ZINC000353881738 387289103 /nfs/dbraw/zinc/28/91/03/387289103.db2.gz MXZRFPZRBYWCBW-UHFFFAOYSA-N 0 3 235.396 3.322 20 0 BGADHN CCc1ncc(CN2CC[C@@H](C)[C@@H](C)C2)s1 ZINC000353882440 172017197 /nfs/dbraw/zinc/01/71/97/172017197.db2.gz QJDSKLRXNJCHCV-MNOVXSKESA-N 0 3 238.400 3.183 20 0 BGADHN CCc1ncc(CN2CC[C@H](C)[C@@H](C)C2)s1 ZINC000353882441 172018044 /nfs/dbraw/zinc/01/80/44/172018044.db2.gz QJDSKLRXNJCHCV-QWRGUYRKSA-N 0 3 238.400 3.183 20 0 BGADHN C[C@H]1CN(Cc2ccc(F)cc2F)C[C@H]1C ZINC000353883221 176304472 /nfs/dbraw/zinc/30/44/72/176304472.db2.gz SOAQMOHAIMISHN-AOOOYVTPSA-N 0 3 225.282 3.053 20 0 BGADHN C[C@@H]1CN(Cc2ccc(F)cc2F)C[C@H]1C ZINC000353883222 176305077 /nfs/dbraw/zinc/30/50/77/176305077.db2.gz SOAQMOHAIMISHN-NXEZZACHSA-N 0 3 225.282 3.053 20 0 BGADHN C[C@H]1CN(Cc2ccc(F)cc2F)C[C@@H]1C ZINC000353883223 177262869 /nfs/dbraw/zinc/26/28/69/177262869.db2.gz SOAQMOHAIMISHN-UWVGGRQHSA-N 0 3 225.282 3.053 20 0 BGADHN Cc1cc(CN2CC=C(C)CC2)ccc1F ZINC000353883557 168114537 /nfs/dbraw/zinc/11/45/37/168114537.db2.gz UVVUYJCLOVPNRI-UHFFFAOYSA-N 0 3 219.303 3.286 20 0 BGADHN CC[C@@H]1C[C@H](C)CN1Cc1cnn(C(C)C)c1 ZINC000353883820 171127505 /nfs/dbraw/zinc/12/75/05/171127505.db2.gz VDKDVJSGBAUTLL-GXTWGEPZSA-N 0 3 235.375 3.084 20 0 BGADHN CC[C@H]1C[C@H](C)CN1Cc1cnn(C(C)C)c1 ZINC000353883821 387288894 /nfs/dbraw/zinc/28/88/94/387288894.db2.gz VDKDVJSGBAUTLL-JSGCOSHPSA-N 0 3 235.375 3.084 20 0 BGADHN CC[C@H]1C[C@@H](C)CN1Cc1cnn(C(C)C)c1 ZINC000353883822 387289746 /nfs/dbraw/zinc/28/97/46/387289746.db2.gz VDKDVJSGBAUTLL-OCCSQVGLSA-N 0 3 235.375 3.084 20 0 BGADHN CC[C@@H]1C[C@@H](C)CN1Cc1cnn(C(C)C)c1 ZINC000353883823 171117775 /nfs/dbraw/zinc/11/77/75/171117775.db2.gz VDKDVJSGBAUTLL-TZMCWYRMSA-N 0 3 235.375 3.084 20 0 BGADHN CCN(Cc1cc(C)ccc1OC)C1CCC1 ZINC000353884289 356723165 /nfs/dbraw/zinc/72/31/65/356723165.db2.gz TVIVFJJVLDDEEA-UHFFFAOYSA-N 0 3 233.355 3.378 20 0 BGADHN C[C@@H](N[C@@H](c1nccn1C)C1CC1)C1CCCC1 ZINC000353884355 354897277 /nfs/dbraw/zinc/89/72/77/354897277.db2.gz XATGUMVUALPGRL-BXUZGUMPSA-N 0 3 247.386 3.040 20 0 BGADHN C[C@H](N[C@H](c1nccn1C)C1CC1)C1CCCC1 ZINC000353884357 354897608 /nfs/dbraw/zinc/89/76/08/354897608.db2.gz XATGUMVUALPGRL-FZMZJTMJSA-N 0 3 247.386 3.040 20 0 BGADHN C[C@@H](N[C@H](c1nccn1C)C1CC1)C1CCCC1 ZINC000353884359 354898257 /nfs/dbraw/zinc/89/82/57/354898257.db2.gz XATGUMVUALPGRL-RISCZKNCSA-N 0 3 247.386 3.040 20 0 BGADHN C[C@H](N[C@@H](c1nccn1C)C1CC1)C1CCCC1 ZINC000353884361 354898247 /nfs/dbraw/zinc/89/82/47/354898247.db2.gz XATGUMVUALPGRL-SMDDNHRTSA-N 0 3 247.386 3.040 20 0 BGADHN Cc1cccc(CN2CCSC(C)(C)C2)c1 ZINC000353884802 179079928 /nfs/dbraw/zinc/07/99/28/179079928.db2.gz XVIYWPDRENDAML-UHFFFAOYSA-N 0 3 235.396 3.322 20 0 BGADHN Cc1ccc([O-])c(C[N@H+]2C[C@@H](C)CCC[C@@H]2C)n1 ZINC000353884808 387292903 /nfs/dbraw/zinc/29/29/03/387292903.db2.gz XWEZEMUMCAJASZ-AAEUAGOBSA-N 0 3 248.370 3.106 20 0 BGADHN Cc1ccc([O-])c(C[N@@H+]2C[C@@H](C)CCC[C@@H]2C)n1 ZINC000353884808 387292895 /nfs/dbraw/zinc/29/28/95/387292895.db2.gz XWEZEMUMCAJASZ-AAEUAGOBSA-N 0 3 248.370 3.106 20 0 BGADHN Cc1ccc([O-])c(C[N@H+]2C[C@H](C)CCC[C@H]2C)n1 ZINC000353884810 387292784 /nfs/dbraw/zinc/29/27/84/387292784.db2.gz XWEZEMUMCAJASZ-DGCLKSJQSA-N 0 3 248.370 3.106 20 0 BGADHN Cc1ccc([O-])c(C[N@@H+]2C[C@H](C)CCC[C@H]2C)n1 ZINC000353884810 387292776 /nfs/dbraw/zinc/29/27/76/387292776.db2.gz XWEZEMUMCAJASZ-DGCLKSJQSA-N 0 3 248.370 3.106 20 0 BGADHN Cc1ccc([O-])c(C[N@H+]2C[C@@H](C)CCC[C@H]2C)n1 ZINC000353884811 387292093 /nfs/dbraw/zinc/29/20/93/387292093.db2.gz XWEZEMUMCAJASZ-WCQYABFASA-N 0 3 248.370 3.106 20 0 BGADHN Cc1ccc([O-])c(C[N@@H+]2C[C@@H](C)CCC[C@H]2C)n1 ZINC000353884811 387292087 /nfs/dbraw/zinc/29/20/87/387292087.db2.gz XWEZEMUMCAJASZ-WCQYABFASA-N 0 3 248.370 3.106 20 0 BGADHN Cc1ccc([O-])c(C[N@H+]2C[C@H](C)CCC[C@@H]2C)n1 ZINC000353884812 488076032 /nfs/dbraw/zinc/07/60/32/488076032.db2.gz XWEZEMUMCAJASZ-YPMHNXCESA-N 0 3 248.370 3.106 20 0 BGADHN Cc1ccc([O-])c(C[N@@H+]2C[C@H](C)CCC[C@@H]2C)n1 ZINC000353884812 488076029 /nfs/dbraw/zinc/07/60/29/488076029.db2.gz XWEZEMUMCAJASZ-YPMHNXCESA-N 0 3 248.370 3.106 20 0 BGADHN CO[C@@H]1CCN(Cc2cc3ccccc3s2)C1 ZINC000353884876 354892422 /nfs/dbraw/zinc/89/24/22/354892422.db2.gz YSNCIRIOQUDKQD-GFCCVEGCSA-N 0 3 247.363 3.122 20 0 BGADHN COc1ccsc1CN1CC[C@@H](C)[C@H](C)C1 ZINC000353885250 175378632 /nfs/dbraw/zinc/37/86/32/175378632.db2.gz AMHCESYGZJBFRT-GHMZBOCLSA-N 0 3 239.384 3.235 20 0 BGADHN COc1ccsc1CN1CC[C@H](C)[C@H](C)C1 ZINC000353885251 175378148 /nfs/dbraw/zinc/37/81/48/175378148.db2.gz AMHCESYGZJBFRT-WDEREUQCSA-N 0 3 239.384 3.235 20 0 BGADHN CO[C@@H]1CCN(Cc2csc3ccccc23)C1 ZINC000353895542 387292738 /nfs/dbraw/zinc/29/27/38/387292738.db2.gz GHWUZHSFVJCDTN-GFCCVEGCSA-N 0 3 247.363 3.122 20 0 BGADHN Cc1cc(C)c(CN2CCO[C@@H](C)[C@H]2C)c(C)c1 ZINC000353895645 355128791 /nfs/dbraw/zinc/12/87/91/355128791.db2.gz GXTAFPLDKWAVEE-CABCVRRESA-N 0 3 247.382 3.221 20 0 BGADHN Cc1cc(C)c(CN2CCO[C@@H](C)[C@@H]2C)c(C)c1 ZINC000353895646 355128580 /nfs/dbraw/zinc/12/85/80/355128580.db2.gz GXTAFPLDKWAVEE-GJZGRUSLSA-N 0 3 247.382 3.221 20 0 BGADHN Cc1cc(C)c(CN2CCO[C@H](C)[C@H]2C)c(C)c1 ZINC000353895647 355128915 /nfs/dbraw/zinc/12/89/15/355128915.db2.gz GXTAFPLDKWAVEE-HUUCEWRRSA-N 0 3 247.382 3.221 20 0 BGADHN Cc1cc(C)c(CN2CCO[C@H](C)[C@@H]2C)c(C)c1 ZINC000353895648 355128669 /nfs/dbraw/zinc/12/86/69/355128669.db2.gz GXTAFPLDKWAVEE-LSDHHAIUSA-N 0 3 247.382 3.221 20 0 BGADHN C[C@@H]1CCC[C@@H](C)[N@@H+](Cc2cccc([O-])c2)C1 ZINC000353896684 176114425 /nfs/dbraw/zinc/11/44/25/176114425.db2.gz HLKKNNWUAHRIGE-CHWSQXEVSA-N 0 3 233.355 3.403 20 0 BGADHN C[C@@H]1CCC[C@@H](C)[N@H+](Cc2cccc([O-])c2)C1 ZINC000353896684 176114423 /nfs/dbraw/zinc/11/44/23/176114423.db2.gz HLKKNNWUAHRIGE-CHWSQXEVSA-N 0 3 233.355 3.403 20 0 BGADHN C[C@@H]1CCC[C@H](C)[N@@H+](Cc2cccc([O-])c2)C1 ZINC000353896689 177114626 /nfs/dbraw/zinc/11/46/26/177114626.db2.gz HLKKNNWUAHRIGE-OLZOCXBDSA-N 0 3 233.355 3.403 20 0 BGADHN C[C@@H]1CCC[C@H](C)[N@H+](Cc2cccc([O-])c2)C1 ZINC000353896689 177114625 /nfs/dbraw/zinc/11/46/25/177114625.db2.gz HLKKNNWUAHRIGE-OLZOCXBDSA-N 0 3 233.355 3.403 20 0 BGADHN C[C@@H]1CCC[C@H](C)C[N@@H+]1Cc1cccc([O-])c1 ZINC000353896695 177114820 /nfs/dbraw/zinc/11/48/20/177114820.db2.gz HLKKNNWUAHRIGE-QWHCGFSZSA-N 0 3 233.355 3.403 20 0 BGADHN C[C@@H]1CCC[C@H](C)C[N@H+]1Cc1cccc([O-])c1 ZINC000353896695 177114819 /nfs/dbraw/zinc/11/48/19/177114819.db2.gz HLKKNNWUAHRIGE-QWHCGFSZSA-N 0 3 233.355 3.403 20 0 BGADHN C[C@H]1CCC[C@H](C)[N@@H+](Cc2cccc([O-])c2)C1 ZINC000353896702 177130232 /nfs/dbraw/zinc/13/02/32/177130232.db2.gz HLKKNNWUAHRIGE-STQMWFEESA-N 0 3 233.355 3.403 20 0 BGADHN C[C@H]1CCC[C@H](C)[N@H+](Cc2cccc([O-])c2)C1 ZINC000353896702 177130230 /nfs/dbraw/zinc/13/02/30/177130230.db2.gz HLKKNNWUAHRIGE-STQMWFEESA-N 0 3 233.355 3.403 20 0 BGADHN Cc1c(CN(C)C2CCC(C)(C)CC2)cnn1C ZINC000353896898 387292609 /nfs/dbraw/zinc/29/26/09/387292609.db2.gz IFMOAXSHIJOXOJ-UHFFFAOYSA-N 0 3 249.402 3.129 20 0 BGADHN Cn1ccc(CN2CCC[C@H]3CCCC[C@@H]32)c1 ZINC000353897372 387291344 /nfs/dbraw/zinc/29/13/44/387291344.db2.gz ILXNHGQZGNHOKK-CABCVRRESA-N 0 3 232.371 3.180 20 0 BGADHN Cn1ccc(CN2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC000353897389 387292198 /nfs/dbraw/zinc/29/21/98/387292198.db2.gz ILXNHGQZGNHOKK-GJZGRUSLSA-N 0 3 232.371 3.180 20 0 BGADHN Cn1ccc(CN2CCC[C@@H]3CCCC[C@H]32)c1 ZINC000353897401 387291542 /nfs/dbraw/zinc/29/15/42/387291542.db2.gz ILXNHGQZGNHOKK-LSDHHAIUSA-N 0 3 232.371 3.180 20 0 BGADHN CCC[C@@]1(C)CCCN(Cc2cccn2C)C1 ZINC000353904608 387294327 /nfs/dbraw/zinc/29/43/27/387294327.db2.gz AUFXKQBXPPVGPF-HNNXBMFYSA-N 0 3 234.387 3.427 20 0 BGADHN CCC[C@]1(C)CCCN(Cc2cccn2C)C1 ZINC000353904610 387294804 /nfs/dbraw/zinc/29/48/04/387294804.db2.gz AUFXKQBXPPVGPF-OAHLLOKOSA-N 0 3 234.387 3.427 20 0 BGADHN C[C@H]1CN(Cc2cnn(C(C)(C)C)c2)C(C)(C)C1 ZINC000353908666 355238574 /nfs/dbraw/zinc/23/85/74/355238574.db2.gz COHREIBKXQELHY-GFCCVEGCSA-N 0 3 249.402 3.259 20 0 BGADHN C[C@@H]1CN(Cc2cnn(C(C)(C)C)c2)C(C)(C)C1 ZINC000353908667 355238167 /nfs/dbraw/zinc/23/81/67/355238167.db2.gz COHREIBKXQELHY-LBPRGKRZSA-N 0 3 249.402 3.259 20 0 BGADHN C[C@H](CCC1CC1)N[C@@H](c1nccn1C)C1CC1 ZINC000353909899 387296615 /nfs/dbraw/zinc/29/66/15/387296615.db2.gz DUIOTKLTWMKJKJ-BXUZGUMPSA-N 0 3 247.386 3.040 20 0 BGADHN C[C@@H](CCC1CC1)N[C@H](c1nccn1C)C1CC1 ZINC000353909900 387296514 /nfs/dbraw/zinc/29/65/14/387296514.db2.gz DUIOTKLTWMKJKJ-FZMZJTMJSA-N 0 3 247.386 3.040 20 0 BGADHN C[C@H](CCC1CC1)N[C@H](c1nccn1C)C1CC1 ZINC000353909901 387297214 /nfs/dbraw/zinc/29/72/14/387297214.db2.gz DUIOTKLTWMKJKJ-RISCZKNCSA-N 0 3 247.386 3.040 20 0 BGADHN C[C@@H](CCC1CC1)N[C@@H](c1nccn1C)C1CC1 ZINC000353909902 387297011 /nfs/dbraw/zinc/29/70/11/387297011.db2.gz DUIOTKLTWMKJKJ-SMDDNHRTSA-N 0 3 247.386 3.040 20 0 BGADHN C[C@H]1CN(Cc2cc(F)ccc2F)C[C@H]1C ZINC000353910055 176301327 /nfs/dbraw/zinc/30/13/27/176301327.db2.gz FGSJJTXSPDSSCY-AOOOYVTPSA-N 0 3 225.282 3.053 20 0 BGADHN C[C@@H]1CN(Cc2cc(F)ccc2F)C[C@H]1C ZINC000353910059 176302036 /nfs/dbraw/zinc/30/20/36/176302036.db2.gz FGSJJTXSPDSSCY-NXEZZACHSA-N 0 3 225.282 3.053 20 0 BGADHN C[C@H]1CN(Cc2cc(F)ccc2F)C[C@@H]1C ZINC000353910062 177260697 /nfs/dbraw/zinc/26/06/97/177260697.db2.gz FGSJJTXSPDSSCY-UWVGGRQHSA-N 0 3 225.282 3.053 20 0 BGADHN CC1CCC(CN2CCOCC23CCC3)CC1 ZINC000353915947 136021348 /nfs/dbraw/zinc/02/13/48/136021348.db2.gz GUTAOAOFYRQSRU-UHFFFAOYSA-N 0 3 237.387 3.068 20 0 BGADHN C[C@@H]1CC[C@H](C)N(Cc2cccc(F)c2)C1 ZINC000353918152 177182784 /nfs/dbraw/zinc/18/27/84/177182784.db2.gz IUIVNZDDAJLPOK-NEPJUHHUSA-N 0 3 221.319 3.446 20 0 BGADHN C[C@@H]1CC[C@H](C)CN1Cc1cccc(F)c1 ZINC000353918153 177184724 /nfs/dbraw/zinc/18/47/24/177184724.db2.gz IUIVNZDDAJLPOK-NWDGAFQWSA-N 0 3 221.319 3.446 20 0 BGADHN C[C@H]1CC[C@H](C)N(Cc2cccc(F)c2)C1 ZINC000353918154 177198449 /nfs/dbraw/zinc/19/84/49/177198449.db2.gz IUIVNZDDAJLPOK-RYUDHWBXSA-N 0 3 221.319 3.446 20 0 BGADHN C[C@@H]1CC[C@@H](C)N(Cc2cccc(F)c2)C1 ZINC000353918155 176197478 /nfs/dbraw/zinc/19/74/78/176197478.db2.gz IUIVNZDDAJLPOK-VXGBXAGGSA-N 0 3 221.319 3.446 20 0 BGADHN CC(C)n1nccc1CNCCC1=CCCCC1 ZINC000353918251 384543541 /nfs/dbraw/zinc/54/35/41/384543541.db2.gz SSEWGWQIDVZKIJ-UHFFFAOYSA-N 0 3 247.386 3.444 20 0 BGADHN Cc1cnc(CN2CCC[C@H](C(C)C)CC2)cn1 ZINC000353921619 136071862 /nfs/dbraw/zinc/07/18/62/136071862.db2.gz IEJDUVBDPFSZPT-AWEZNQCLSA-N 0 3 247.386 3.043 20 0 BGADHN Cc1cnc(CN2CCC[C@@H](C(C)C)CC2)cn1 ZINC000353921624 136071846 /nfs/dbraw/zinc/07/18/46/136071846.db2.gz IEJDUVBDPFSZPT-CQSZACIVSA-N 0 3 247.386 3.043 20 0 BGADHN CC[C@H]1CN(Cc2ccccc2C)CCS1 ZINC000353921909 387299351 /nfs/dbraw/zinc/29/93/51/387299351.db2.gz OHFJEGAGEFYZNU-AWEZNQCLSA-N 0 3 235.396 3.322 20 0 BGADHN CC[C@@H]1CN(Cc2ccccc2C)CCS1 ZINC000353921914 188234609 /nfs/dbraw/zinc/23/46/09/188234609.db2.gz OHFJEGAGEFYZNU-CQSZACIVSA-N 0 3 235.396 3.322 20 0 BGADHN CCc1nc(CN2C[C@@H](C)CC2(C)C)cs1 ZINC000353926030 356726266 /nfs/dbraw/zinc/72/62/66/356726266.db2.gz QKYGCBLJALMMPO-JTQLQIEISA-N 0 3 238.400 3.326 20 0 BGADHN CCc1nc(CN2C[C@H](C)CC2(C)C)cs1 ZINC000353926037 356726179 /nfs/dbraw/zinc/72/61/79/356726179.db2.gz QKYGCBLJALMMPO-SNVBAGLBSA-N 0 3 238.400 3.326 20 0 BGADHN CC(C)[C@@H]1CN(Cc2ccccc2)CCS1 ZINC000353927237 136096778 /nfs/dbraw/zinc/09/67/78/136096778.db2.gz UROQGTHTUSGOPZ-AWEZNQCLSA-N 0 3 235.396 3.260 20 0 BGADHN CC(C)[C@H]1CN(Cc2ccccc2)CCS1 ZINC000353927240 136096480 /nfs/dbraw/zinc/09/64/80/136096480.db2.gz UROQGTHTUSGOPZ-CQSZACIVSA-N 0 3 235.396 3.260 20 0 BGADHN C[C@@H]1CC[C@H](C)N(Cc2ccccc2F)C1 ZINC000353928711 177183701 /nfs/dbraw/zinc/18/37/01/177183701.db2.gz RNYLFFOBEOISFM-NEPJUHHUSA-N 0 3 221.319 3.446 20 0 BGADHN C[C@@H]1CC[C@H](C)CN1Cc1ccccc1F ZINC000353928712 177184601 /nfs/dbraw/zinc/18/46/01/177184601.db2.gz RNYLFFOBEOISFM-NWDGAFQWSA-N 0 3 221.319 3.446 20 0 BGADHN C[C@H]1CC[C@H](C)N(Cc2ccccc2F)C1 ZINC000353928713 177198355 /nfs/dbraw/zinc/19/83/55/177198355.db2.gz RNYLFFOBEOISFM-RYUDHWBXSA-N 0 3 221.319 3.446 20 0 BGADHN C[C@@H]1CC[C@@H](C)N(Cc2ccccc2F)C1 ZINC000353928714 176197320 /nfs/dbraw/zinc/19/73/20/176197320.db2.gz RNYLFFOBEOISFM-VXGBXAGGSA-N 0 3 221.319 3.446 20 0 BGADHN Cn1ccnc1[C@H](N[C@@H]1CCC(C)(C)C1)C1CC1 ZINC000353936400 387300944 /nfs/dbraw/zinc/30/09/44/387300944.db2.gz YKKJFAZUKRFRLB-CHWSQXEVSA-N 0 3 247.386 3.040 20 0 BGADHN Cn1ccnc1[C@@H](N[C@@H]1CCC(C)(C)C1)C1CC1 ZINC000353936401 387301324 /nfs/dbraw/zinc/30/13/24/387301324.db2.gz YKKJFAZUKRFRLB-OLZOCXBDSA-N 0 3 247.386 3.040 20 0 BGADHN Cn1ccnc1[C@H](N[C@H]1CCC(C)(C)C1)C1CC1 ZINC000353936402 387302483 /nfs/dbraw/zinc/30/24/83/387302483.db2.gz YKKJFAZUKRFRLB-QWHCGFSZSA-N 0 3 247.386 3.040 20 0 BGADHN Cn1ccnc1[C@@H](N[C@H]1CCC(C)(C)C1)C1CC1 ZINC000353936403 387302192 /nfs/dbraw/zinc/30/21/92/387302192.db2.gz YKKJFAZUKRFRLB-STQMWFEESA-N 0 3 247.386 3.040 20 0 BGADHN CCC[C@@]1(C)CCCN(Cc2cnc(C)cn2)C1 ZINC000353936533 535552809 /nfs/dbraw/zinc/55/28/09/535552809.db2.gz ZMFQWRLXLYHUBY-HNNXBMFYSA-N 0 3 247.386 3.187 20 0 BGADHN CCC[C@]1(C)CCCN(Cc2cnc(C)cn2)C1 ZINC000353936534 136310654 /nfs/dbraw/zinc/31/06/54/136310654.db2.gz ZMFQWRLXLYHUBY-OAHLLOKOSA-N 0 3 247.386 3.187 20 0 BGADHN Cc1cc(CCN[C@H](C)c2cc(C)c(C)o2)on1 ZINC000353970762 355682440 /nfs/dbraw/zinc/68/24/40/355682440.db2.gz FJSCFPLKNKKINK-LLVKDONJSA-N 0 3 248.326 3.086 20 0 BGADHN Cc1cc(CCN[C@@H](C)c2cc(C)c(C)o2)on1 ZINC000353970763 355682101 /nfs/dbraw/zinc/68/21/01/355682101.db2.gz FJSCFPLKNKKINK-NSHDSACASA-N 0 3 248.326 3.086 20 0 BGADHN Cc1cnc(CN2CCC[C@@H](CC(C)C)C2)cn1 ZINC000353973851 387304437 /nfs/dbraw/zinc/30/44/37/387304437.db2.gz QTXCBQLYODMUAM-AWEZNQCLSA-N 0 3 247.386 3.043 20 0 BGADHN Cc1cnc(CN2CCC[C@H](CC(C)C)C2)cn1 ZINC000353973853 387304731 /nfs/dbraw/zinc/30/47/31/387304731.db2.gz QTXCBQLYODMUAM-CQSZACIVSA-N 0 3 247.386 3.043 20 0 BGADHN Cc1ccoc1CN1CC[C@H]1Cc1ccccc1 ZINC000353978444 387305075 /nfs/dbraw/zinc/30/50/75/387305075.db2.gz LDMHAMBAZLRQCY-HNNXBMFYSA-N 0 3 241.334 3.405 20 0 BGADHN Cc1ccoc1CN1CC[C@@H]1Cc1ccccc1 ZINC000353978445 387303712 /nfs/dbraw/zinc/30/37/12/387303712.db2.gz LDMHAMBAZLRQCY-OAHLLOKOSA-N 0 3 241.334 3.405 20 0 BGADHN CCCCOC1CCN(Cc2ccccc2)CC1 ZINC000353986141 387307104 /nfs/dbraw/zinc/30/71/04/387307104.db2.gz HBTRDFRROJPTFI-UHFFFAOYSA-N 0 3 247.382 3.468 20 0 BGADHN C[C@@H](NCC1(C(F)(F)F)CC1)c1ccccn1 ZINC000353986719 387307501 /nfs/dbraw/zinc/30/75/01/387307501.db2.gz KPXKOWFKIDRDMT-SECBINFHSA-N 0 3 244.260 3.075 20 0 BGADHN C[C@H](NCC1(C(F)(F)F)CC1)c1ccccn1 ZINC000353986720 176834474 /nfs/dbraw/zinc/83/44/74/176834474.db2.gz KPXKOWFKIDRDMT-VIFPVBQESA-N 0 3 244.260 3.075 20 0 BGADHN CCCCOC1CCN(Cc2ccco2)CC1 ZINC000353995428 387307021 /nfs/dbraw/zinc/30/70/21/387307021.db2.gz IKGHYUWTKHPTLK-UHFFFAOYSA-N 0 3 237.343 3.061 20 0 BGADHN c1coc(CN2CC[C@H]2Cc2ccccc2)c1 ZINC000353995571 387307589 /nfs/dbraw/zinc/30/75/89/387307589.db2.gz JYEJNAOHHFBVGE-AWEZNQCLSA-N 0 3 227.307 3.097 20 0 BGADHN c1coc(CN2CC[C@@H]2Cc2ccccc2)c1 ZINC000353995572 387306552 /nfs/dbraw/zinc/30/65/52/387306552.db2.gz JYEJNAOHHFBVGE-CQSZACIVSA-N 0 3 227.307 3.097 20 0 BGADHN Cc1ccc(CN2CC[C@H]2Cc2ccccc2)o1 ZINC000353997052 387309688 /nfs/dbraw/zinc/30/96/88/387309688.db2.gz HSACMPOSZMIONA-HNNXBMFYSA-N 0 3 241.334 3.405 20 0 BGADHN Cc1ccc(CN2CC[C@@H]2Cc2ccccc2)o1 ZINC000353997053 387309164 /nfs/dbraw/zinc/30/91/64/387309164.db2.gz HSACMPOSZMIONA-OAHLLOKOSA-N 0 3 241.334 3.405 20 0 BGADHN CCC[C@H]1[C@H](C)CCCN1Cc1cnc(C)cn1 ZINC000353998540 387309931 /nfs/dbraw/zinc/30/99/31/387309931.db2.gz VWNJRFVAHHXWHV-DOMZBBRYSA-N 0 3 247.386 3.186 20 0 BGADHN CCC[C@@H]1[C@H](C)CCCN1Cc1cnc(C)cn1 ZINC000353998541 387308406 /nfs/dbraw/zinc/30/84/06/387308406.db2.gz VWNJRFVAHHXWHV-IUODEOHRSA-N 0 3 247.386 3.186 20 0 BGADHN CCC[C@@H]1[C@@H](C)CCCN1Cc1cnc(C)cn1 ZINC000353998542 387310041 /nfs/dbraw/zinc/31/00/41/387310041.db2.gz VWNJRFVAHHXWHV-SWLSCSKDSA-N 0 3 247.386 3.186 20 0 BGADHN CCC[C@H]1[C@@H](C)CCCN1Cc1cnc(C)cn1 ZINC000353998543 387308959 /nfs/dbraw/zinc/30/89/59/387308959.db2.gz VWNJRFVAHHXWHV-WFASDCNBSA-N 0 3 247.386 3.186 20 0 BGADHN CCc1ccc([C@@H](C)NCCc2cc(C)no2)o1 ZINC000353999043 387309802 /nfs/dbraw/zinc/30/98/02/387309802.db2.gz XUJWOZTWTLIRAP-LLVKDONJSA-N 0 3 248.326 3.032 20 0 BGADHN CCc1ccc([C@H](C)NCCc2cc(C)no2)o1 ZINC000353999044 387308766 /nfs/dbraw/zinc/30/87/66/387308766.db2.gz XUJWOZTWTLIRAP-NSHDSACASA-N 0 3 248.326 3.032 20 0 BGADHN Cc1cc(CCN[C@H](C)c2cc(C)oc2C)on1 ZINC000353999112 387310112 /nfs/dbraw/zinc/31/01/12/387310112.db2.gz YLFRFHGFFUTRJC-LLVKDONJSA-N 0 3 248.326 3.086 20 0 BGADHN Cc1cc(CCN[C@@H](C)c2cc(C)oc2C)on1 ZINC000353999113 387031119 /nfs/dbraw/zinc/03/11/19/387031119.db2.gz YLFRFHGFFUTRJC-NSHDSACASA-N 0 3 248.326 3.086 20 0 BGADHN CCC(C)(C)[C@@H]1CCCN1Cc1cnc(C)cn1 ZINC000354007838 136366296 /nfs/dbraw/zinc/36/62/96/136366296.db2.gz AZENMGIMNMVCFU-AWEZNQCLSA-N 0 3 247.386 3.186 20 0 BGADHN CCC(C)(C)[C@H]1CCCN1Cc1cnc(C)cn1 ZINC000354007839 136366319 /nfs/dbraw/zinc/36/63/19/136366319.db2.gz AZENMGIMNMVCFU-CQSZACIVSA-N 0 3 247.386 3.186 20 0 BGADHN Cc1cnc(CN(CC(C)C)CC(C)(C)C)cn1 ZINC000354008458 355938616 /nfs/dbraw/zinc/93/86/16/355938616.db2.gz DSCVFXHNRCEHLK-UHFFFAOYSA-N 0 3 249.402 3.289 20 0 BGADHN Cc1ncc(CN2CC[C@H](C)C(C)(C)C2)s1 ZINC000354013093 180146170 /nfs/dbraw/zinc/14/61/70/180146170.db2.gz DNEXLRSXHCXYIC-JTQLQIEISA-N 0 3 238.400 3.320 20 0 BGADHN Cc1ncc(CN2CC[C@@H](C)C(C)(C)C2)s1 ZINC000354013094 180144680 /nfs/dbraw/zinc/14/46/80/180144680.db2.gz DNEXLRSXHCXYIC-SNVBAGLBSA-N 0 3 238.400 3.320 20 0 BGADHN Cc1ccc(CN2CC[C@@H](C)C(C)(C)C2)nc1 ZINC000354013303 136368327 /nfs/dbraw/zinc/36/83/27/136368327.db2.gz FQOHEIIOJDCJMY-CYBMUJFWSA-N 0 3 232.371 3.258 20 0 BGADHN Cc1ccc(CN2CC[C@H](C)C(C)(C)C2)nc1 ZINC000354013304 136368307 /nfs/dbraw/zinc/36/83/07/136368307.db2.gz FQOHEIIOJDCJMY-ZDUSSCGKSA-N 0 3 232.371 3.258 20 0 BGADHN CC(C)[C@@H](N[C@@H]1CC1(C)C)c1ccc(F)cn1 ZINC000354020037 387311571 /nfs/dbraw/zinc/31/15/71/387311571.db2.gz NFNJDONDXLZPTQ-CHWSQXEVSA-N 0 3 236.334 3.306 20 0 BGADHN CC(C)[C@H](N[C@@H]1CC1(C)C)c1ccc(F)cn1 ZINC000354020038 387311170 /nfs/dbraw/zinc/31/11/70/387311170.db2.gz NFNJDONDXLZPTQ-OLZOCXBDSA-N 0 3 236.334 3.306 20 0 BGADHN CC(C)[C@@H](N[C@H]1CC1(C)C)c1ccc(F)cn1 ZINC000354020039 387311379 /nfs/dbraw/zinc/31/13/79/387311379.db2.gz NFNJDONDXLZPTQ-QWHCGFSZSA-N 0 3 236.334 3.306 20 0 BGADHN CC(C)[C@H](N[C@H]1CC1(C)C)c1ccc(F)cn1 ZINC000354020040 387311367 /nfs/dbraw/zinc/31/13/67/387311367.db2.gz NFNJDONDXLZPTQ-STQMWFEESA-N 0 3 236.334 3.306 20 0 BGADHN Cc1cccc(CN2CC[C@@H](C)C(C)(C)C2)n1 ZINC000354023152 179079560 /nfs/dbraw/zinc/07/95/60/179079560.db2.gz ASEXXDPPSRGUMK-GFCCVEGCSA-N 0 3 232.371 3.258 20 0 BGADHN Cc1cccc(CN2CC[C@H](C)C(C)(C)C2)n1 ZINC000354023154 179081573 /nfs/dbraw/zinc/08/15/73/179081573.db2.gz ASEXXDPPSRGUMK-LBPRGKRZSA-N 0 3 232.371 3.258 20 0 BGADHN Cc1cccnc1CN1CC[C@@H](C)C(C)(C)C1 ZINC000354023604 179375580 /nfs/dbraw/zinc/37/55/80/179375580.db2.gz CXAVNTNYVARUDI-CYBMUJFWSA-N 0 3 232.371 3.258 20 0 BGADHN Cc1cccnc1CN1CC[C@H](C)C(C)(C)C1 ZINC000354023605 179375304 /nfs/dbraw/zinc/37/53/04/179375304.db2.gz CXAVNTNYVARUDI-ZDUSSCGKSA-N 0 3 232.371 3.258 20 0 BGADHN Cc1noc(C)c1CN1CC[C@H](C)C(C)(C)C1 ZINC000354024455 387312913 /nfs/dbraw/zinc/31/29/13/387312913.db2.gz PDQCMUBSDWJUTE-JTQLQIEISA-N 0 3 236.359 3.159 20 0 BGADHN Cc1noc(C)c1CN1CC[C@@H](C)C(C)(C)C1 ZINC000354024456 387313355 /nfs/dbraw/zinc/31/33/55/387313355.db2.gz PDQCMUBSDWJUTE-SNVBAGLBSA-N 0 3 236.359 3.159 20 0 BGADHN Cc1ccncc1CN1CC[C@@H](C)C(C)(C)C1 ZINC000354025117 387314693 /nfs/dbraw/zinc/31/46/93/387314693.db2.gz ZARKMTVIZPBRDR-CYBMUJFWSA-N 0 3 232.371 3.258 20 0 BGADHN Cc1ccncc1CN1CC[C@H](C)C(C)(C)C1 ZINC000354025118 387313628 /nfs/dbraw/zinc/31/36/28/387313628.db2.gz ZARKMTVIZPBRDR-ZDUSSCGKSA-N 0 3 232.371 3.258 20 0 BGADHN Cc1ccc(CN(C)Cc2ccc[nH]2)cc1C ZINC000354026114 387312810 /nfs/dbraw/zinc/31/28/10/387312810.db2.gz NTJQCPIUAAYRDA-UHFFFAOYSA-N 0 3 228.339 3.264 20 0 BGADHN CN(Cc1ccc[nH]1)Cc1cccc2cc[nH]c21 ZINC000354026198 387314255 /nfs/dbraw/zinc/31/42/55/387314255.db2.gz PHNGXAYQQCDGSQ-UHFFFAOYSA-N 0 3 239.322 3.128 20 0 BGADHN Cc1ccc(C)c(CN(C)Cc2ccc[nH]2)c1 ZINC000354026204 387313968 /nfs/dbraw/zinc/31/39/68/387313968.db2.gz PJPUXXWDDRIVNX-UHFFFAOYSA-N 0 3 228.339 3.264 20 0 BGADHN Cc1cnc(CN2CCC[C@H]2CCC(C)C)cn1 ZINC000354026523 385619229 /nfs/dbraw/zinc/61/92/29/385619229.db2.gz VDGGDLYYFAHCJZ-HNNXBMFYSA-N 0 3 247.386 3.186 20 0 BGADHN Cc1cnc(CN2CCC[C@@H]2CCC(C)C)cn1 ZINC000354026524 385618532 /nfs/dbraw/zinc/61/85/32/385618532.db2.gz VDGGDLYYFAHCJZ-OAHLLOKOSA-N 0 3 247.386 3.186 20 0 BGADHN CC(C)[C@@H](NC1CC(C)C1)c1ccc(F)cn1 ZINC000354030838 168147205 /nfs/dbraw/zinc/14/72/05/168147205.db2.gz YCZKIMAWHUAKLH-MMWSSPAHSA-N 0 3 236.334 3.306 20 0 BGADHN CC(C)[C@H](NC1CC(C)C1)c1ccc(F)cn1 ZINC000354030839 168148394 /nfs/dbraw/zinc/14/83/94/168148394.db2.gz YCZKIMAWHUAKLH-OVGLSYRBSA-N 0 3 236.334 3.306 20 0 BGADHN CCC[C@@H](C)[C@@H]1CCCN1Cc1cnc(C)cn1 ZINC000354032734 169373527 /nfs/dbraw/zinc/37/35/27/169373527.db2.gz DEHHZQLJQFVGJC-DOMZBBRYSA-N 0 3 247.386 3.186 20 0 BGADHN CCC[C@@H](C)[C@H]1CCCN1Cc1cnc(C)cn1 ZINC000354032735 169374637 /nfs/dbraw/zinc/37/46/37/169374637.db2.gz DEHHZQLJQFVGJC-IUODEOHRSA-N 0 3 247.386 3.186 20 0 BGADHN CCC[C@H](C)[C@H]1CCCN1Cc1cnc(C)cn1 ZINC000354032736 387316500 /nfs/dbraw/zinc/31/65/00/387316500.db2.gz DEHHZQLJQFVGJC-SWLSCSKDSA-N 0 3 247.386 3.186 20 0 BGADHN CCC[C@H](C)[C@@H]1CCCN1Cc1cnc(C)cn1 ZINC000354032737 387315754 /nfs/dbraw/zinc/31/57/54/387315754.db2.gz DEHHZQLJQFVGJC-WFASDCNBSA-N 0 3 247.386 3.186 20 0 BGADHN CN(Cc1ccc[nH]1)Cc1cccc2[nH]ccc21 ZINC000354033102 387316484 /nfs/dbraw/zinc/31/64/84/387316484.db2.gz IEIIFJVZMWOHCC-UHFFFAOYSA-N 0 3 239.322 3.128 20 0 BGADHN Cc1cc(C)cc(CN(C)Cc2ccc[nH]2)c1 ZINC000354033400 387318421 /nfs/dbraw/zinc/31/84/21/387318421.db2.gz LCADXGPTHGWKCZ-UHFFFAOYSA-N 0 3 228.339 3.264 20 0 BGADHN CCC(CC)N(Cc1ccn(C)n1)CC(C)C ZINC000354034639 168375535 /nfs/dbraw/zinc/37/55/35/168375535.db2.gz TUTSODMHCWXGHS-UHFFFAOYSA-N 0 3 237.391 3.067 20 0 BGADHN Cc1ccc(CN(C)Cc2ccc[nH]2)c(C)c1 ZINC000354045212 387320088 /nfs/dbraw/zinc/32/00/88/387320088.db2.gz RRMQZAALUSEORF-UHFFFAOYSA-N 0 3 228.339 3.264 20 0 BGADHN CN(Cc1ccc[nH]1)C[C@H]1C[C@@H]1c1ccccc1 ZINC000354045400 387320231 /nfs/dbraw/zinc/32/02/31/387320231.db2.gz SYOWGMMUPZTOAS-GDBMZVCRSA-N 0 3 240.350 3.250 20 0 BGADHN CN(Cc1ccc[nH]1)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000354045401 387320037 /nfs/dbraw/zinc/32/00/37/387320037.db2.gz SYOWGMMUPZTOAS-GOEBONIOSA-N 0 3 240.350 3.250 20 0 BGADHN CN(Cc1ccc[nH]1)C[C@@H]1C[C@H]1c1ccccc1 ZINC000354045402 387319575 /nfs/dbraw/zinc/31/95/75/387319575.db2.gz SYOWGMMUPZTOAS-HOCLYGCPSA-N 0 3 240.350 3.250 20 0 BGADHN CN(Cc1ccc[nH]1)C[C@H]1C[C@H]1c1ccccc1 ZINC000354045403 387319745 /nfs/dbraw/zinc/31/97/45/387319745.db2.gz SYOWGMMUPZTOAS-ZBFHGGJFSA-N 0 3 240.350 3.250 20 0 BGADHN Cc1cccc(CN(C)Cc2ccc[nH]2)c1C ZINC000354045720 179067260 /nfs/dbraw/zinc/06/72/60/179067260.db2.gz YOFNQCKUQHSJCJ-UHFFFAOYSA-N 0 3 228.339 3.264 20 0 BGADHN Cc1cccc(CN(C)CCOC(C)C)c1C ZINC000354054843 179065788 /nfs/dbraw/zinc/06/57/88/179065788.db2.gz WZOCVUGMZBQDPE-UHFFFAOYSA-N 0 3 235.371 3.160 20 0 BGADHN Cc1ccc(CN(C)CCOC(C)C)cc1C ZINC000354056706 387321489 /nfs/dbraw/zinc/32/14/89/387321489.db2.gz LVGNZNMTTXEFGB-UHFFFAOYSA-N 0 3 235.371 3.160 20 0 BGADHN COC[C@@H]1CCN1CCCC1CCCCC1 ZINC000354058259 387321321 /nfs/dbraw/zinc/32/13/21/387321321.db2.gz FOHSYVNGGSABHE-AWEZNQCLSA-N 0 3 225.376 3.068 20 0 BGADHN COC[C@H]1CCN1CCCC1CCCCC1 ZINC000354058260 387321071 /nfs/dbraw/zinc/32/10/71/387321071.db2.gz FOHSYVNGGSABHE-CQSZACIVSA-N 0 3 225.376 3.068 20 0 BGADHN Cc1ccc(C)c(CN(C)CCOC(C)C)c1 ZINC000354059844 387324836 /nfs/dbraw/zinc/32/48/36/387324836.db2.gz XEJGUMBPCKXDBI-UHFFFAOYSA-N 0 3 235.371 3.160 20 0 BGADHN Cc1cc(C)cc(CN(C)CCOC(C)C)c1 ZINC000354060195 387324255 /nfs/dbraw/zinc/32/42/55/387324255.db2.gz BHYAUXPZZHYJAD-UHFFFAOYSA-N 0 3 235.371 3.160 20 0 BGADHN CC(C)OCCN(C)Cc1cccc2[nH]ccc21 ZINC000354061839 167229658 /nfs/dbraw/zinc/22/96/58/167229658.db2.gz SVUHDEADOATHOG-UHFFFAOYSA-N 0 3 246.354 3.025 20 0 BGADHN Cc1ccc(CN(C)CCOCC2CC2)cc1C ZINC000354062775 387325707 /nfs/dbraw/zinc/32/57/07/387325707.db2.gz DABBPMXLNBQJOP-UHFFFAOYSA-N 0 3 247.382 3.162 20 0 BGADHN Cc1ccc(CN(C)CCOCC2CC2)c(C)c1 ZINC000354067252 387324792 /nfs/dbraw/zinc/32/47/92/387324792.db2.gz ZCNMNSURZSMPPW-UHFFFAOYSA-N 0 3 247.382 3.162 20 0 BGADHN Cc1cc(C)cc(CN(C)CCOCC2CC2)c1 ZINC000354068003 387324635 /nfs/dbraw/zinc/32/46/35/387324635.db2.gz JJCBYKBMSXMSBA-UHFFFAOYSA-N 0 3 247.382 3.162 20 0 BGADHN Cc1ccc(C)c(CN(C)CCOCC2CC2)c1 ZINC000354068218 387325764 /nfs/dbraw/zinc/32/57/64/387325764.db2.gz MKLOQZMTPSOIHI-UHFFFAOYSA-N 0 3 247.382 3.162 20 0 BGADHN CC[C@@]1(C)CCN(Cc2ccc(OC)c(O)c2)C1 ZINC000354073438 171200498 /nfs/dbraw/zinc/20/04/98/171200498.db2.gz OHBDTCKYVVDLPJ-HNNXBMFYSA-N 0 3 249.354 3.023 20 0 BGADHN CC[C@]1(C)CCN(Cc2ccc(OC)c(O)c2)C1 ZINC000354073439 388543759 /nfs/dbraw/zinc/54/37/59/388543759.db2.gz OHBDTCKYVVDLPJ-OAHLLOKOSA-N 0 3 249.354 3.023 20 0 BGADHN CCc1ccc(CN2CC[C@](C)(CC)C2)o1 ZINC000354074503 387328195 /nfs/dbraw/zinc/32/81/95/387328195.db2.gz VGQVHCKGMJNKHK-AWEZNQCLSA-N 0 3 221.344 3.464 20 0 BGADHN CCc1ccc(CN2CC[C@@](C)(CC)C2)o1 ZINC000354074504 387328271 /nfs/dbraw/zinc/32/82/71/387328271.db2.gz VGQVHCKGMJNKHK-CQSZACIVSA-N 0 3 221.344 3.464 20 0 BGADHN CC[C@@]1(C)CCN(Cc2cnn(C(C)C)c2)C1 ZINC000354077978 171203108 /nfs/dbraw/zinc/20/31/08/171203108.db2.gz LIYQYQXNQKJRLL-AWEZNQCLSA-N 0 3 235.375 3.086 20 0 BGADHN CC[C@]1(C)CCN(Cc2cnn(C(C)C)c2)C1 ZINC000354077979 387326537 /nfs/dbraw/zinc/32/65/37/387326537.db2.gz LIYQYQXNQKJRLL-CQSZACIVSA-N 0 3 235.375 3.086 20 0 BGADHN CCOc1cccc(CN2CC[C@](C)(CC)C2)n1 ZINC000354078531 386162751 /nfs/dbraw/zinc/16/27/51/386162751.db2.gz UGRROJRZGNMVGH-HNNXBMFYSA-N 0 3 248.370 3.102 20 0 BGADHN CCOc1cccc(CN2CC[C@@](C)(CC)C2)n1 ZINC000354078532 386161875 /nfs/dbraw/zinc/16/18/75/386161875.db2.gz UGRROJRZGNMVGH-OAHLLOKOSA-N 0 3 248.370 3.102 20 0 BGADHN CC[C@@]1(C)CCN(Cc2ccccc2F)C1 ZINC000354081405 171200564 /nfs/dbraw/zinc/20/05/64/171200564.db2.gz GHPAHASAVOHXGX-AWEZNQCLSA-N 0 3 221.319 3.448 20 0 BGADHN CC[C@]1(C)CCN(Cc2ccccc2F)C1 ZINC000354081407 387327930 /nfs/dbraw/zinc/32/79/30/387327930.db2.gz GHPAHASAVOHXGX-CQSZACIVSA-N 0 3 221.319 3.448 20 0 BGADHN CC[C@@]1(C)CCN(Cc2ccc(C)cn2)C1 ZINC000354088879 171200314 /nfs/dbraw/zinc/20/03/14/171200314.db2.gz VTNJDRNCSUYOCL-AWEZNQCLSA-N 0 3 218.344 3.012 20 0 BGADHN CC[C@]1(C)CCN(Cc2ccc(C)cn2)C1 ZINC000354088880 387328633 /nfs/dbraw/zinc/32/86/33/387328633.db2.gz VTNJDRNCSUYOCL-CQSZACIVSA-N 0 3 218.344 3.012 20 0 BGADHN CC[C@@]1(C)CCN(Cc2cnn(C(C)(C)C)c2)C1 ZINC000354089522 171202269 /nfs/dbraw/zinc/20/22/69/171202269.db2.gz YPQIPWOOXWTEOH-HNNXBMFYSA-N 0 3 249.402 3.260 20 0 BGADHN CC[C@]1(C)CCN(Cc2cnn(C(C)(C)C)c2)C1 ZINC000354089523 386553097 /nfs/dbraw/zinc/55/30/97/386553097.db2.gz YPQIPWOOXWTEOH-OAHLLOKOSA-N 0 3 249.402 3.260 20 0 BGADHN Cc1cccc(CN(C)CCOC(C)(C)C)c1 ZINC000354095483 179065169 /nfs/dbraw/zinc/06/51/69/179065169.db2.gz BLBAEQQCDNJEBI-UHFFFAOYSA-N 0 3 235.371 3.242 20 0 BGADHN Clc1ccc(CN2CC[C@H](C3CC3)C2)o1 ZINC000354096524 387330282 /nfs/dbraw/zinc/33/02/82/387330282.db2.gz JPZUQOUBIUXXAK-JTQLQIEISA-N 0 3 225.719 3.165 20 0 BGADHN Clc1ccc(CN2CC[C@@H](C3CC3)C2)o1 ZINC000354096525 387329872 /nfs/dbraw/zinc/32/98/72/387329872.db2.gz JPZUQOUBIUXXAK-SNVBAGLBSA-N 0 3 225.719 3.165 20 0 BGADHN CCc1noc(C)c1CNCCC(C)(C)C ZINC000354097113 172078806 /nfs/dbraw/zinc/07/88/06/172078806.db2.gz NOEZDPHZYMQPCQ-UHFFFAOYSA-N 0 3 224.348 3.071 20 0 BGADHN Fc1cccc(F)c1CN1CC[C@@H](C2CC2)C1 ZINC000354098152 181000527 /nfs/dbraw/zinc/00/05/27/181000527.db2.gz VBXUCEXBRFXTSG-LLVKDONJSA-N 0 3 237.293 3.197 20 0 BGADHN Fc1cccc(F)c1CN1CC[C@H](C2CC2)C1 ZINC000354098153 181000848 /nfs/dbraw/zinc/00/08/48/181000848.db2.gz VBXUCEXBRFXTSG-NSHDSACASA-N 0 3 237.293 3.197 20 0 BGADHN CC[C@@]1(C)CCN(Cc2ccc(COC)o2)C1 ZINC000354099424 171200779 /nfs/dbraw/zinc/20/07/79/171200779.db2.gz DPCVHAHJUQUAJL-AWEZNQCLSA-N 0 3 237.343 3.048 20 0 BGADHN CC[C@]1(C)CCN(Cc2ccc(COC)o2)C1 ZINC000354099426 171714127 /nfs/dbraw/zinc/71/41/27/171714127.db2.gz DPCVHAHJUQUAJL-CQSZACIVSA-N 0 3 237.343 3.048 20 0 BGADHN CCc1noc(C)c1CNC[C@H](C)CC(C)C ZINC000354100177 172079852 /nfs/dbraw/zinc/07/98/52/172079852.db2.gz KEGINSXIDKWMDG-LLVKDONJSA-N 0 3 238.375 3.317 20 0 BGADHN CCc1noc(C)c1CNC[C@@H](C)CC(C)C ZINC000354100178 172078994 /nfs/dbraw/zinc/07/89/94/172078994.db2.gz KEGINSXIDKWMDG-NSHDSACASA-N 0 3 238.375 3.317 20 0 BGADHN CCc1ncc(CN2CC[C@@](C)(CC)C2)s1 ZINC000354100765 172017878 /nfs/dbraw/zinc/01/78/78/172017878.db2.gz OXJNXWKUTPLHCN-CYBMUJFWSA-N 0 3 238.400 3.328 20 0 BGADHN CCc1ncc(CN2CC[C@](C)(CC)C2)s1 ZINC000354100766 172017010 /nfs/dbraw/zinc/01/70/10/172017010.db2.gz OXJNXWKUTPLHCN-ZDUSSCGKSA-N 0 3 238.400 3.328 20 0 BGADHN Fc1cc(F)cc(CN2CC[C@@H](C3CC3)C2)c1 ZINC000354102213 386606810 /nfs/dbraw/zinc/60/68/10/386606810.db2.gz ZAXLNCHXAQUNRB-GFCCVEGCSA-N 0 3 237.293 3.197 20 0 BGADHN Fc1cc(F)cc(CN2CC[C@H](C3CC3)C2)c1 ZINC000354102214 386607178 /nfs/dbraw/zinc/60/71/78/386607178.db2.gz ZAXLNCHXAQUNRB-LBPRGKRZSA-N 0 3 237.293 3.197 20 0 BGADHN CC[C@@]1(C)CCN(Cc2cccc3c2OCO3)C1 ZINC000354105416 171200303 /nfs/dbraw/zinc/20/03/03/171200303.db2.gz ANAGPQMXTSPOEK-HNNXBMFYSA-N 0 3 247.338 3.037 20 0 BGADHN CC[C@]1(C)CCN(Cc2cccc3c2OCO3)C1 ZINC000354105417 387329994 /nfs/dbraw/zinc/32/99/94/387329994.db2.gz ANAGPQMXTSPOEK-OAHLLOKOSA-N 0 3 247.338 3.037 20 0 BGADHN CC[C@]1(C)CCN(Cc2ccc(C)o2)C1 ZINC000354105826 387329489 /nfs/dbraw/zinc/32/94/89/387329489.db2.gz FGEKGDIXOSVWIS-CYBMUJFWSA-N 0 3 207.317 3.210 20 0 BGADHN CC[C@@]1(C)CCN(Cc2ccc(C)o2)C1 ZINC000354105828 171200464 /nfs/dbraw/zinc/20/04/64/171200464.db2.gz FGEKGDIXOSVWIS-ZDUSSCGKSA-N 0 3 207.317 3.210 20 0 BGADHN CCn1nc(C)c(CN2CC[C@](C)(CC)C2)c1C ZINC000354106039 172244863 /nfs/dbraw/zinc/24/48/63/172244863.db2.gz GTNCBFBDLGEMNH-HNNXBMFYSA-N 0 3 249.402 3.142 20 0 BGADHN CCn1nc(C)c(CN2CC[C@@](C)(CC)C2)c1C ZINC000354106042 172245830 /nfs/dbraw/zinc/24/58/30/172245830.db2.gz GTNCBFBDLGEMNH-OAHLLOKOSA-N 0 3 249.402 3.142 20 0 BGADHN CC[C@]1(C)CCN(Cc2sccc2OC)C1 ZINC000354107355 387331881 /nfs/dbraw/zinc/33/18/81/387331881.db2.gz PSAUUIGBMWUKRM-CYBMUJFWSA-N 0 3 239.384 3.379 20 0 BGADHN CC[C@@]1(C)CCN(Cc2sccc2OC)C1 ZINC000354107356 171202552 /nfs/dbraw/zinc/20/25/52/171202552.db2.gz PSAUUIGBMWUKRM-ZDUSSCGKSA-N 0 3 239.384 3.379 20 0 BGADHN C[C@]1(c2ccccc2)CCN(Cc2ccco2)C1 ZINC000354108363 387332829 /nfs/dbraw/zinc/33/28/29/387332829.db2.gz FEFARGJEAXDQLD-INIZCTEOSA-N 0 3 241.334 3.443 20 0 BGADHN C[C@@]1(c2ccccc2)CCN(Cc2ccco2)C1 ZINC000354108368 387331281 /nfs/dbraw/zinc/33/12/81/387331281.db2.gz FEFARGJEAXDQLD-MRXNPFEDSA-N 0 3 241.334 3.443 20 0 BGADHN CCN(Cc1cccc(C)n1)CC(C)(C)C ZINC000354116142 356730791 /nfs/dbraw/zinc/73/07/91/356730791.db2.gz KFUNBIPQCOXXNV-UHFFFAOYSA-N 0 3 220.360 3.258 20 0 BGADHN CCN(Cc1ccccc1)Cc1cccc(C)n1 ZINC000354119293 356730529 /nfs/dbraw/zinc/73/05/29/356730529.db2.gz ZHRIBBBUUCCHNA-UHFFFAOYSA-N 0 3 240.350 3.412 20 0 BGADHN Cc1cccc(CN(C)Cc2ccc(O)cc2)c1 ZINC000354126852 179067564 /nfs/dbraw/zinc/06/75/64/179067564.db2.gz AQHMXKXCPGZRSK-UHFFFAOYSA-N 0 3 241.334 3.333 20 0 BGADHN CN(Cc1cccs1)Cc1ccc(O)cc1 ZINC000354127431 385695447 /nfs/dbraw/zinc/69/54/47/385695447.db2.gz DMWXFEDAHKFIJZ-UHFFFAOYSA-N 0 3 233.336 3.086 20 0 BGADHN CN(Cc1ccc(O)cc1)Cc1cccc(F)c1 ZINC000354128020 387334650 /nfs/dbraw/zinc/33/46/50/387334650.db2.gz HDXHIPBPBVUDIU-UHFFFAOYSA-N 0 3 245.297 3.163 20 0 BGADHN Cc1ccccc1CN(C)Cc1ccc(O)cc1 ZINC000354128086 179268949 /nfs/dbraw/zinc/26/89/49/179268949.db2.gz IGILTICEUMCQCW-UHFFFAOYSA-N 0 3 241.334 3.333 20 0 BGADHN CCOc1ccc2c(c1)CCN(CC(C)C)C2 ZINC000354128642 387334244 /nfs/dbraw/zinc/33/42/44/387334244.db2.gz WDJPUKXSBUMZTK-UHFFFAOYSA-N 0 3 233.355 3.099 20 0 BGADHN Cc1occc1CN(C)CCc1ccc(F)cc1 ZINC000354128698 387334380 /nfs/dbraw/zinc/33/43/80/387334380.db2.gz KNTSEXNSCVHVFJ-UHFFFAOYSA-N 0 3 247.313 3.402 20 0 BGADHN Cc1ccc(CN(C)Cc2ccc(O)cc2)cc1 ZINC000354130930 387334467 /nfs/dbraw/zinc/33/44/67/387334467.db2.gz DCLWGMFTHLRHOO-UHFFFAOYSA-N 0 3 241.334 3.333 20 0 BGADHN Cc1ccsc1CN(C)Cc1ccc(O)cc1 ZINC000354136038 385730500 /nfs/dbraw/zinc/73/05/00/385730500.db2.gz IEXXDIQVFHXZBN-UHFFFAOYSA-N 0 3 247.363 3.394 20 0 BGADHN CN(Cc1ccc(O)cc1)Cc1ccc(F)cc1 ZINC000354139104 387336267 /nfs/dbraw/zinc/33/62/67/387336267.db2.gz SBQHTENEZBVDEG-UHFFFAOYSA-N 0 3 245.297 3.163 20 0 BGADHN CCc1nocc1CN(C)CC(CC)CC ZINC000354356583 172092601 /nfs/dbraw/zinc/09/26/01/172092601.db2.gz SECCGQZOKUCVKW-UHFFFAOYSA-N 0 3 224.348 3.105 20 0 BGADHN CCC[C@@H](C)CN(C)Cc1conc1CC ZINC000354357815 169358187 /nfs/dbraw/zinc/35/81/87/169358187.db2.gz FMYJKGMMOJMWTM-LLVKDONJSA-N 0 3 224.348 3.105 20 0 BGADHN CCC[C@H](C)CN(C)Cc1conc1CC ZINC000354357816 387365362 /nfs/dbraw/zinc/36/53/62/387365362.db2.gz FMYJKGMMOJMWTM-NSHDSACASA-N 0 3 224.348 3.105 20 0 BGADHN CCCC1(CNCc2ccnn2C(C)C)CC1 ZINC000354484903 388545146 /nfs/dbraw/zinc/54/51/46/388545146.db2.gz XODAURNTUUFIHM-UHFFFAOYSA-N 0 3 235.375 3.134 20 0 BGADHN CC(C)CC1(CNCc2ccnn2C(C)C)CC1 ZINC000354486785 166785073 /nfs/dbraw/zinc/78/50/73/166785073.db2.gz BOGLSRIWVBFSNP-UHFFFAOYSA-N 0 3 249.402 3.380 20 0 BGADHN Cc1ccc2nc(CN[C@H](C)C3CCC3)[nH]c2c1 ZINC000354491130 387382872 /nfs/dbraw/zinc/38/28/72/387382872.db2.gz CVUZMBLVTXXIDL-LLVKDONJSA-N 0 3 243.354 3.150 20 0 BGADHN Cc1ccc2[nH]c(CN[C@H](C)C3CCC3)nc2c1 ZINC000354491130 387382867 /nfs/dbraw/zinc/38/28/67/387382867.db2.gz CVUZMBLVTXXIDL-LLVKDONJSA-N 0 3 243.354 3.150 20 0 BGADHN Cc1ccc2nc(CN[C@@H](C)C3CCC3)[nH]c2c1 ZINC000354491133 387383260 /nfs/dbraw/zinc/38/32/60/387383260.db2.gz CVUZMBLVTXXIDL-NSHDSACASA-N 0 3 243.354 3.150 20 0 BGADHN Cc1ccc2[nH]c(CN[C@@H](C)C3CCC3)nc2c1 ZINC000354491133 387383256 /nfs/dbraw/zinc/38/32/56/387383256.db2.gz CVUZMBLVTXXIDL-NSHDSACASA-N 0 3 243.354 3.150 20 0 BGADHN CCN(CCOC)c1ccnc2ccc(C)cc21 ZINC000354498447 387385838 /nfs/dbraw/zinc/38/58/38/387385838.db2.gz BYRBCHPUYYKHDE-UHFFFAOYSA-N 0 3 244.338 3.016 20 0 BGADHN C[C@@H]1CCC[C@H](CSCCN(C)C)C1 ZINC000354515217 176139570 /nfs/dbraw/zinc/13/95/70/176139570.db2.gz ZXLBUKMAJRRLRY-NEPJUHHUSA-N 0 3 215.406 3.108 20 0 BGADHN C[C@H]1CCC[C@@H](CSCCN(C)C)C1 ZINC000354515219 177120365 /nfs/dbraw/zinc/12/03/65/177120365.db2.gz ZXLBUKMAJRRLRY-NWDGAFQWSA-N 0 3 215.406 3.108 20 0 BGADHN C[C@H]1CCC[C@H](CSCCN(C)C)C1 ZINC000354515221 177133835 /nfs/dbraw/zinc/13/38/35/177133835.db2.gz ZXLBUKMAJRRLRY-RYUDHWBXSA-N 0 3 215.406 3.108 20 0 BGADHN C[C@@H]1CCC[C@@H](CSCCN(C)C)C1 ZINC000354515223 176119936 /nfs/dbraw/zinc/11/99/36/176119936.db2.gz ZXLBUKMAJRRLRY-VXGBXAGGSA-N 0 3 215.406 3.108 20 0 BGADHN Cc1ccc(CN2CCC[C@H]2CF)c(C)c1 ZINC000354519281 178570843 /nfs/dbraw/zinc/57/08/43/178570843.db2.gz FGVJYHBSZMKFHU-AWEZNQCLSA-N 0 3 221.319 3.237 20 0 BGADHN Cc1ccc(CN2CCC[C@@H]2CF)c(C)c1 ZINC000354519289 385595558 /nfs/dbraw/zinc/59/55/58/385595558.db2.gz FGVJYHBSZMKFHU-CQSZACIVSA-N 0 3 221.319 3.237 20 0 BGADHN Cc1cccc(CN2CCC[C@H]2CF)c1C ZINC000354520570 179075655 /nfs/dbraw/zinc/07/56/55/179075655.db2.gz KLHQJHYNLDVTMU-AWEZNQCLSA-N 0 3 221.319 3.237 20 0 BGADHN Cc1cccc(CN2CCC[C@@H]2CF)c1C ZINC000354520571 179075734 /nfs/dbraw/zinc/07/57/34/179075734.db2.gz KLHQJHYNLDVTMU-CQSZACIVSA-N 0 3 221.319 3.237 20 0 BGADHN Cc1ccc(CN2CC[C@@H](CC3CC3)C2)cn1 ZINC000354525651 387390486 /nfs/dbraw/zinc/39/04/86/387390486.db2.gz KJZRCLPEEQIVJN-AWEZNQCLSA-N 0 3 230.355 3.012 20 0 BGADHN Cc1ccc(CN2CC[C@H](CC3CC3)C2)cn1 ZINC000354525656 387390676 /nfs/dbraw/zinc/39/06/76/387390676.db2.gz KJZRCLPEEQIVJN-CQSZACIVSA-N 0 3 230.355 3.012 20 0 BGADHN CCc1ccc(CN2CC[C@@H](CC3CC3)C2)cn1 ZINC000354525835 387388919 /nfs/dbraw/zinc/38/89/19/387388919.db2.gz LGBRKTRBMUWJFR-AWEZNQCLSA-N 0 3 244.382 3.266 20 0 BGADHN CCc1ccc(CN2CC[C@H](CC3CC3)C2)cn1 ZINC000354525836 387389455 /nfs/dbraw/zinc/38/94/55/387389455.db2.gz LGBRKTRBMUWJFR-CQSZACIVSA-N 0 3 244.382 3.266 20 0 BGADHN CC(C)n1cc(CN2CC[C@@H](CC3CC3)C2)cn1 ZINC000354526643 387389404 /nfs/dbraw/zinc/38/94/04/387389404.db2.gz OXTCJOOOMRSYCO-AWEZNQCLSA-N 0 3 247.386 3.086 20 0 BGADHN CC(C)n1cc(CN2CC[C@H](CC3CC3)C2)cn1 ZINC000354526645 387389222 /nfs/dbraw/zinc/38/92/22/387389222.db2.gz OXTCJOOOMRSYCO-CQSZACIVSA-N 0 3 247.386 3.086 20 0 BGADHN COCc1ccc(CN2CC[C@H](CC3CC3)C2)o1 ZINC000354527028 387390518 /nfs/dbraw/zinc/39/05/18/387390518.db2.gz PPAKDFINJMSZBV-CYBMUJFWSA-N 0 3 249.354 3.048 20 0 BGADHN COCc1ccc(CN2CC[C@@H](CC3CC3)C2)o1 ZINC000354527069 387389374 /nfs/dbraw/zinc/38/93/74/387389374.db2.gz PPAKDFINJMSZBV-ZDUSSCGKSA-N 0 3 249.354 3.048 20 0 BGADHN CCn1ccnc1CN[C@H](C)CCC1CCCC1 ZINC000354527810 172224168 /nfs/dbraw/zinc/22/41/68/172224168.db2.gz FYWHJMFGGOWTSK-CYBMUJFWSA-N 0 3 249.402 3.352 20 0 BGADHN CCn1ccnc1CN[C@@H](C)CCC1CCCC1 ZINC000354527812 172223400 /nfs/dbraw/zinc/22/34/00/172223400.db2.gz FYWHJMFGGOWTSK-ZDUSSCGKSA-N 0 3 249.402 3.352 20 0 BGADHN CCc1ccc(CN2CC[C@H](CC3CC3)C2)o1 ZINC000354531771 387390223 /nfs/dbraw/zinc/39/02/23/387390223.db2.gz YASXPHDNAVRCAI-CYBMUJFWSA-N 0 3 233.355 3.464 20 0 BGADHN CCc1ccc(CN2CC[C@@H](CC3CC3)C2)o1 ZINC000354531773 387389121 /nfs/dbraw/zinc/38/91/21/387389121.db2.gz YASXPHDNAVRCAI-ZDUSSCGKSA-N 0 3 233.355 3.464 20 0 BGADHN Cc1cc(CN[C@@H](C)C2C(C)(C)C2(C)C)on1 ZINC000354536178 178029016 /nfs/dbraw/zinc/02/90/16/178029016.db2.gz BRRHYTWVNJCOPN-JTQLQIEISA-N 0 3 236.359 3.143 20 0 BGADHN Cc1cc(CN[C@H](C)C2C(C)(C)C2(C)C)on1 ZINC000354536179 178037203 /nfs/dbraw/zinc/03/72/03/178037203.db2.gz BRRHYTWVNJCOPN-SNVBAGLBSA-N 0 3 236.359 3.143 20 0 BGADHN CC[C@H](CC(F)(F)F)N[C@@H](C)c1ccncc1 ZINC000354560610 387396649 /nfs/dbraw/zinc/39/66/49/387396649.db2.gz DTLIPWWJAVJIDB-GXSJLCMTSA-N 0 3 246.276 3.463 20 0 BGADHN CC[C@@H](CC(F)(F)F)N[C@H](C)c1ccncc1 ZINC000354560611 387396045 /nfs/dbraw/zinc/39/60/45/387396045.db2.gz DTLIPWWJAVJIDB-KOLCDFICSA-N 0 3 246.276 3.463 20 0 BGADHN CC[C@H](CC(F)(F)F)N[C@H](C)c1ccncc1 ZINC000354560613 387395758 /nfs/dbraw/zinc/39/57/58/387395758.db2.gz DTLIPWWJAVJIDB-MWLCHTKSSA-N 0 3 246.276 3.463 20 0 BGADHN CC[C@@H](CC(F)(F)F)N[C@@H](C)c1ccncc1 ZINC000354560614 387396160 /nfs/dbraw/zinc/39/61/60/387396160.db2.gz DTLIPWWJAVJIDB-ONGXEEELSA-N 0 3 246.276 3.463 20 0 BGADHN Cc1ccc2nccc(NCC3(C)CC3)c2c1 ZINC000354567011 387396031 /nfs/dbraw/zinc/39/60/31/387396031.db2.gz LYHPKIMORXRUHV-UHFFFAOYSA-N 0 3 226.323 3.177 20 0 BGADHN CCc1nocc1CN1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000354569279 172096651 /nfs/dbraw/zinc/09/66/51/172096651.db2.gz BHIOHWZIMDLCSE-GXTWGEPZSA-N 0 3 248.370 3.248 20 0 BGADHN CCc1nocc1CN1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000354569282 172095727 /nfs/dbraw/zinc/09/57/27/172095727.db2.gz BHIOHWZIMDLCSE-JSGCOSHPSA-N 0 3 248.370 3.248 20 0 BGADHN CCc1nocc1CN1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000354569287 172096075 /nfs/dbraw/zinc/09/60/75/172096075.db2.gz BHIOHWZIMDLCSE-OCCSQVGLSA-N 0 3 248.370 3.248 20 0 BGADHN CCc1nocc1CN1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000354569292 172094937 /nfs/dbraw/zinc/09/49/37/172094937.db2.gz BHIOHWZIMDLCSE-TZMCWYRMSA-N 0 3 248.370 3.248 20 0 BGADHN CCOC[C@@H]1CCC[C@@H]1Nc1cc(C)cc(C)n1 ZINC000354570149 387395209 /nfs/dbraw/zinc/39/52/09/387395209.db2.gz OKVCXVCSOKDRRO-KBPBESRZSA-N 0 3 248.370 3.316 20 0 BGADHN CCOC[C@H]1CCC[C@@H]1Nc1cc(C)cc(C)n1 ZINC000354570155 387396093 /nfs/dbraw/zinc/39/60/93/387396093.db2.gz OKVCXVCSOKDRRO-KGLIPLIRSA-N 0 3 248.370 3.316 20 0 BGADHN CCOC[C@@H]1CCC[C@H]1Nc1cc(C)cc(C)n1 ZINC000354570156 387395545 /nfs/dbraw/zinc/39/55/45/387395545.db2.gz OKVCXVCSOKDRRO-UONOGXRCSA-N 0 3 248.370 3.316 20 0 BGADHN CCOC[C@H]1CCC[C@H]1Nc1cc(C)cc(C)n1 ZINC000354570157 387395354 /nfs/dbraw/zinc/39/53/54/387395354.db2.gz OKVCXVCSOKDRRO-ZIAGYGMSSA-N 0 3 248.370 3.316 20 0 BGADHN CC[C@H](CC(F)(F)F)N[C@@H](C)c1cccnc1 ZINC000354570863 387398131 /nfs/dbraw/zinc/39/81/31/387398131.db2.gz SPNPXNDZRFSVPQ-GXSJLCMTSA-N 0 3 246.276 3.463 20 0 BGADHN CC[C@@H](CC(F)(F)F)N[C@H](C)c1cccnc1 ZINC000354570866 387397482 /nfs/dbraw/zinc/39/74/82/387397482.db2.gz SPNPXNDZRFSVPQ-KOLCDFICSA-N 0 3 246.276 3.463 20 0 BGADHN CC[C@H](CC(F)(F)F)N[C@H](C)c1cccnc1 ZINC000354570870 387396020 /nfs/dbraw/zinc/39/60/20/387396020.db2.gz SPNPXNDZRFSVPQ-MWLCHTKSSA-N 0 3 246.276 3.463 20 0 BGADHN CC[C@@H](CC(F)(F)F)N[C@@H](C)c1cccnc1 ZINC000354570875 385679840 /nfs/dbraw/zinc/67/98/40/385679840.db2.gz SPNPXNDZRFSVPQ-ONGXEEELSA-N 0 3 246.276 3.463 20 0 BGADHN Cc1ccc2nccc(N3CCC(F)(F)C3)c2c1 ZINC000354600201 178983449 /nfs/dbraw/zinc/98/34/49/178983449.db2.gz JRGVGAPMKZAMRJ-UHFFFAOYSA-N 0 3 248.276 3.389 20 0 BGADHN CC[C@@H](CC(F)(F)F)NCc1cccc(O)c1 ZINC000354630510 387407808 /nfs/dbraw/zinc/40/78/08/387407808.db2.gz CBZPWQRDOCQJKG-JTQLQIEISA-N 0 3 247.260 3.213 20 0 BGADHN CC[C@H](CC(F)(F)F)NCc1cccc(O)c1 ZINC000354630512 387406394 /nfs/dbraw/zinc/40/63/94/387406394.db2.gz CBZPWQRDOCQJKG-SNVBAGLBSA-N 0 3 247.260 3.213 20 0 BGADHN Cc1cccc(C)c1[C@@H](C)NCc1cc[nH]c1 ZINC000354633142 179049737 /nfs/dbraw/zinc/04/97/37/179049737.db2.gz FDJJTCJDBWBCET-CYBMUJFWSA-N 0 3 228.339 3.482 20 0 BGADHN Cc1cccc(C)c1[C@H](C)NCc1cc[nH]c1 ZINC000354633144 179049172 /nfs/dbraw/zinc/04/91/72/179049172.db2.gz FDJJTCJDBWBCET-ZDUSSCGKSA-N 0 3 228.339 3.482 20 0 BGADHN CC[C@H](CC(F)(F)F)NCc1cccnc1C ZINC000354635005 387407492 /nfs/dbraw/zinc/40/74/92/387407492.db2.gz HEZPXMNXCNQVFI-LLVKDONJSA-N 0 3 246.276 3.211 20 0 BGADHN CC[C@@H](CC(F)(F)F)NCc1cccnc1C ZINC000354635007 387407816 /nfs/dbraw/zinc/40/78/16/387407816.db2.gz HEZPXMNXCNQVFI-NSHDSACASA-N 0 3 246.276 3.211 20 0 BGADHN Cc1cccc(C)c1[C@H](C)NCc1cccn1C ZINC000354639606 179049961 /nfs/dbraw/zinc/04/99/61/179049961.db2.gz LPTXOTACGCHMEQ-AWEZNQCLSA-N 0 3 242.366 3.493 20 0 BGADHN Cc1cccc(C)c1[C@@H](C)NCc1cccn1C ZINC000354639616 179048833 /nfs/dbraw/zinc/04/88/33/179048833.db2.gz LPTXOTACGCHMEQ-CQSZACIVSA-N 0 3 242.366 3.493 20 0 BGADHN Cc1ccncc1CN(C)CCCC(C)C ZINC000354641694 188062662 /nfs/dbraw/zinc/06/26/62/188062662.db2.gz ZYCIKEYOTZRMDG-UHFFFAOYSA-N 0 3 220.360 3.258 20 0 BGADHN CC[C@H](CC(F)(F)F)NCc1cnccc1C ZINC000354641928 387409117 /nfs/dbraw/zinc/40/91/17/387409117.db2.gz CYTXSELDQFOQPH-LLVKDONJSA-N 0 3 246.276 3.211 20 0 BGADHN CC[C@@H](CC(F)(F)F)NCc1cnccc1C ZINC000354641932 387407220 /nfs/dbraw/zinc/40/72/20/387407220.db2.gz CYTXSELDQFOQPH-NSHDSACASA-N 0 3 246.276 3.211 20 0 BGADHN Cc1cccc(C)c1[C@H](C)NCC1=CCCOC1 ZINC000354650872 179049794 /nfs/dbraw/zinc/04/97/94/179049794.db2.gz LLTPFMNWSYKZOB-AWEZNQCLSA-N 0 3 245.366 3.301 20 0 BGADHN Cc1cccc(C)c1[C@@H](C)NCC1=CCCOC1 ZINC000354650887 179049241 /nfs/dbraw/zinc/04/92/41/179049241.db2.gz LLTPFMNWSYKZOB-CQSZACIVSA-N 0 3 245.366 3.301 20 0 BGADHN CC[C@@H](CC(F)(F)F)NCc1ccc(C)cn1 ZINC000354669843 387414693 /nfs/dbraw/zinc/41/46/93/387414693.db2.gz IJPVKLPFVLAQOV-JTQLQIEISA-N 0 3 246.276 3.211 20 0 BGADHN CC[C@H](CC(F)(F)F)NCc1ccc(C)cn1 ZINC000354669844 387415295 /nfs/dbraw/zinc/41/52/95/387415295.db2.gz IJPVKLPFVLAQOV-SNVBAGLBSA-N 0 3 246.276 3.211 20 0 BGADHN CC(C)CCCN1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000354699778 387417025 /nfs/dbraw/zinc/41/70/25/387417025.db2.gz GPYOJOUFZVQMSY-CABCVRRESA-N 0 3 237.387 3.066 20 0 BGADHN CC(C)CCCN1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000354699779 387417062 /nfs/dbraw/zinc/41/70/62/387417062.db2.gz GPYOJOUFZVQMSY-GJZGRUSLSA-N 0 3 237.387 3.066 20 0 BGADHN CC(C)CCCN1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000354699782 387417127 /nfs/dbraw/zinc/41/71/27/387417127.db2.gz GPYOJOUFZVQMSY-HUUCEWRRSA-N 0 3 237.387 3.066 20 0 BGADHN CC(C)CCCN1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000354699785 387417362 /nfs/dbraw/zinc/41/73/62/387417362.db2.gz GPYOJOUFZVQMSY-LSDHHAIUSA-N 0 3 237.387 3.066 20 0 BGADHN COC[C@@H](C)NCc1cc2cc(C)c(C)cc2o1 ZINC000354704060 385640312 /nfs/dbraw/zinc/64/03/12/385640312.db2.gz VUIWWMDYQWQRTH-GFCCVEGCSA-N 0 3 247.338 3.174 20 0 BGADHN COC[C@H](C)NCc1cc2cc(C)c(C)cc2o1 ZINC000354704061 385640687 /nfs/dbraw/zinc/64/06/87/385640687.db2.gz VUIWWMDYQWQRTH-LBPRGKRZSA-N 0 3 247.338 3.174 20 0 BGADHN CC(C)(C)OCCCCN1CC[C@@](C)(F)C1 ZINC000354707629 387419145 /nfs/dbraw/zinc/41/91/45/387419145.db2.gz LDIHKHLJDLULHZ-CYBMUJFWSA-N 0 3 231.355 3.016 20 0 BGADHN CC(C)(C)OCCCCN1CC[C@](C)(F)C1 ZINC000354707634 387419886 /nfs/dbraw/zinc/41/98/86/387419886.db2.gz LDIHKHLJDLULHZ-ZDUSSCGKSA-N 0 3 231.355 3.016 20 0 BGADHN CC(C)(C)CCN1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000354708436 387419103 /nfs/dbraw/zinc/41/91/03/387419103.db2.gz PLDYEZJKYMRNLX-DZGCQCFKSA-N 0 3 237.387 3.066 20 0 BGADHN CC(C)(C)CCN1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000354708439 387418904 /nfs/dbraw/zinc/41/89/04/387418904.db2.gz PLDYEZJKYMRNLX-HIFRSBDPSA-N 0 3 237.387 3.066 20 0 BGADHN CC(C)(C)CCN1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000354708440 387419640 /nfs/dbraw/zinc/41/96/40/387419640.db2.gz PLDYEZJKYMRNLX-UKRRQHHQSA-N 0 3 237.387 3.066 20 0 BGADHN CC(C)(C)CCN1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000354708441 387419379 /nfs/dbraw/zinc/41/93/79/387419379.db2.gz PLDYEZJKYMRNLX-ZFWWWQNUSA-N 0 3 237.387 3.066 20 0 BGADHN C(CC1CCCCC1)CN1CC2(C1)CCOC2 ZINC000354765094 398329899 /nfs/dbraw/zinc/32/98/99/398329899.db2.gz BFXIIFAZKDRNHG-UHFFFAOYSA-N 0 3 237.387 3.069 20 0 BGADHN CCOCCN(C)Cc1cc(C)c(C)cc1C ZINC000354771384 170390809 /nfs/dbraw/zinc/39/08/09/170390809.db2.gz TUQBAKQEGJLNJR-UHFFFAOYSA-N 0 3 235.371 3.080 20 0 BGADHN C[C@@H](O)CCCN(C)Cc1cc2ccccc2o1 ZINC000354812101 387432325 /nfs/dbraw/zinc/43/23/25/387432325.db2.gz YDXBVAGMVWKIRR-GFCCVEGCSA-N 0 3 247.338 3.026 20 0 BGADHN C[C@H](O)CCCN(C)Cc1cc2ccccc2o1 ZINC000354812102 387432033 /nfs/dbraw/zinc/43/20/33/387432033.db2.gz YDXBVAGMVWKIRR-LBPRGKRZSA-N 0 3 247.338 3.026 20 0 BGADHN C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1CCCF ZINC000354824930 387435530 /nfs/dbraw/zinc/43/55/30/387435530.db2.gz DPTMMPGMOOQSOI-GHMZBOCLSA-N 0 3 239.309 3.493 20 0 BGADHN C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1CCCF ZINC000354824931 177437315 /nfs/dbraw/zinc/43/73/15/177437315.db2.gz DPTMMPGMOOQSOI-MNOVXSKESA-N 0 3 239.309 3.493 20 0 BGADHN C[C@H]1Cc2cc(F)ccc2[C@H](C)N1CCCF ZINC000354824932 177388931 /nfs/dbraw/zinc/38/89/31/177388931.db2.gz DPTMMPGMOOQSOI-QWRGUYRKSA-N 0 3 239.309 3.493 20 0 BGADHN C[C@@H]1c2ccc(F)cc2C[C@H](C)N1CCCF ZINC000354824934 177388895 /nfs/dbraw/zinc/38/88/95/177388895.db2.gz DPTMMPGMOOQSOI-WDEREUQCSA-N 0 3 239.309 3.493 20 0 BGADHN CCN1[C@H](C)Cc2cc(F)ccc2[C@H]1C ZINC000354825479 170041752 /nfs/dbraw/zinc/04/17/52/170041752.db2.gz CJYPSVBAKGQIQY-NXEZZACHSA-N 0 3 207.292 3.153 20 0 BGADHN CCN1[C@@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000354825480 170041940 /nfs/dbraw/zinc/04/19/40/170041940.db2.gz CJYPSVBAKGQIQY-UWVGGRQHSA-N 0 3 207.292 3.153 20 0 BGADHN CCN1[C@H](C)c2ccc(F)cc2C[C@@H]1C ZINC000354825481 170041531 /nfs/dbraw/zinc/04/15/31/170041531.db2.gz CJYPSVBAKGQIQY-VHSXEESVSA-N 0 3 207.292 3.153 20 0 BGADHN CCN1[C@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000354825482 170042010 /nfs/dbraw/zinc/04/20/10/170042010.db2.gz CJYPSVBAKGQIQY-ZJUUUORDSA-N 0 3 207.292 3.153 20 0 BGADHN CCOCCN(Cc1ccc(C)c(C)c1)C1CC1 ZINC000354859130 187211443 /nfs/dbraw/zinc/21/14/43/187211443.db2.gz YGJBBLCDVZVIIU-UHFFFAOYSA-N 0 3 247.382 3.304 20 0 BGADHN CCc1ccc(CN(C)C[C@@H]2CC[C@H](C)O2)cc1 ZINC000354860465 385758720 /nfs/dbraw/zinc/75/87/20/385758720.db2.gz MEDXAMXKBPGPDD-BBRMVZONSA-N 0 3 247.382 3.248 20 0 BGADHN CCc1ccc(CN(C)C[C@@H]2CC[C@@H](C)O2)cc1 ZINC000354860469 385758641 /nfs/dbraw/zinc/75/86/41/385758641.db2.gz MEDXAMXKBPGPDD-CJNGLKHVSA-N 0 3 247.382 3.248 20 0 BGADHN CCc1ccc(CN(C)C[C@H]2CC[C@@H](C)O2)cc1 ZINC000354860471 385758616 /nfs/dbraw/zinc/75/86/16/385758616.db2.gz MEDXAMXKBPGPDD-CZUORRHYSA-N 0 3 247.382 3.248 20 0 BGADHN CCc1ccc(CN(C)C[C@H]2CC[C@H](C)O2)cc1 ZINC000354860477 385758708 /nfs/dbraw/zinc/75/87/08/385758708.db2.gz MEDXAMXKBPGPDD-XJKSGUPXSA-N 0 3 247.382 3.248 20 0 BGADHN C[C@H]1COC[C@@H](c2ccccc2)N1CC1CCC1 ZINC000354872536 177298780 /nfs/dbraw/zinc/29/87/80/177298780.db2.gz CVLILZLDFGKCQT-BBRMVZONSA-N 0 3 245.366 3.249 20 0 BGADHN C[C@@H]1COC[C@@H](c2ccccc2)N1CC1CCC1 ZINC000354872537 176347122 /nfs/dbraw/zinc/34/71/22/176347122.db2.gz CVLILZLDFGKCQT-CJNGLKHVSA-N 0 3 245.366 3.249 20 0 BGADHN C[C@@H]1COC[C@H](c2ccccc2)N1CC1CCC1 ZINC000354872538 176347381 /nfs/dbraw/zinc/34/73/81/176347381.db2.gz CVLILZLDFGKCQT-CZUORRHYSA-N 0 3 245.366 3.249 20 0 BGADHN C[C@H]1COC[C@H](c2ccccc2)N1CC1CCC1 ZINC000354872539 177300254 /nfs/dbraw/zinc/30/02/54/177300254.db2.gz CVLILZLDFGKCQT-XJKSGUPXSA-N 0 3 245.366 3.249 20 0 BGADHN CN(CCCCOC(C)(C)C)Cc1ccoc1 ZINC000354876192 398330948 /nfs/dbraw/zinc/33/09/48/398330948.db2.gz WZASPMMFGDWXPN-UHFFFAOYSA-N 0 3 239.359 3.307 20 0 BGADHN CN(CCCCOC(C)(C)C)Cc1ccco1 ZINC000354877355 387440109 /nfs/dbraw/zinc/44/01/09/387440109.db2.gz KCKFWEOCYOWRLR-UHFFFAOYSA-N 0 3 239.359 3.307 20 0 BGADHN C[C@H]1COC[C@@H](c2ccccc2)N1CCC1CC1 ZINC000354877849 177298870 /nfs/dbraw/zinc/29/88/70/177298870.db2.gz OXVBBIXLRDIGAT-BBRMVZONSA-N 0 3 245.366 3.249 20 0 BGADHN C[C@@H]1COC[C@@H](c2ccccc2)N1CCC1CC1 ZINC000354877851 176346856 /nfs/dbraw/zinc/34/68/56/176346856.db2.gz OXVBBIXLRDIGAT-CJNGLKHVSA-N 0 3 245.366 3.249 20 0 BGADHN C[C@@H]1COC[C@H](c2ccccc2)N1CCC1CC1 ZINC000354877853 176347020 /nfs/dbraw/zinc/34/70/20/176347020.db2.gz OXVBBIXLRDIGAT-CZUORRHYSA-N 0 3 245.366 3.249 20 0 BGADHN C[C@H]1COC[C@H](c2ccccc2)N1CCC1CC1 ZINC000354877855 177300461 /nfs/dbraw/zinc/30/04/61/177300461.db2.gz OXVBBIXLRDIGAT-XJKSGUPXSA-N 0 3 245.366 3.249 20 0 BGADHN CC(C)CN1[C@@H](C)COC[C@@H]1c1ccccc1 ZINC000354882637 356745428 /nfs/dbraw/zinc/74/54/28/356745428.db2.gz WYWMFAZCDSWMHG-DZGCQCFKSA-N 0 3 233.355 3.104 20 0 BGADHN CC(C)CN1[C@H](C)COC[C@H]1c1ccccc1 ZINC000354882639 356745535 /nfs/dbraw/zinc/74/55/35/356745535.db2.gz WYWMFAZCDSWMHG-HIFRSBDPSA-N 0 3 233.355 3.104 20 0 BGADHN CC(C)CN1[C@H](C)COC[C@@H]1c1ccccc1 ZINC000354882641 349499900 /nfs/dbraw/zinc/49/99/00/349499900.db2.gz WYWMFAZCDSWMHG-UKRRQHHQSA-N 0 3 233.355 3.104 20 0 BGADHN CC(C)CN1[C@H](c2ccccc2)COC[C@@H]1C ZINC000354882661 349499867 /nfs/dbraw/zinc/49/98/67/349499867.db2.gz WYWMFAZCDSWMHG-ZFWWWQNUSA-N 0 3 233.355 3.104 20 0 BGADHN CCN(Cc1ccccc1C)C[C@H]1CC[C@@H](C)O1 ZINC000354889121 356745899 /nfs/dbraw/zinc/74/58/99/356745899.db2.gz IGUGIVKFFWUVRM-GDBMZVCRSA-N 0 3 247.382 3.384 20 0 BGADHN CCN(Cc1ccccc1C)C[C@H]1CC[C@H](C)O1 ZINC000354889123 349517619 /nfs/dbraw/zinc/51/76/19/349517619.db2.gz IGUGIVKFFWUVRM-GOEBONIOSA-N 0 3 247.382 3.384 20 0 BGADHN CCN(Cc1ccccc1C)C[C@@H]1CC[C@H](C)O1 ZINC000354889125 349517669 /nfs/dbraw/zinc/51/76/69/349517669.db2.gz IGUGIVKFFWUVRM-HOCLYGCPSA-N 0 3 247.382 3.384 20 0 BGADHN CCN(Cc1ccccc1C)C[C@@H]1CC[C@@H](C)O1 ZINC000354889127 349517462 /nfs/dbraw/zinc/51/74/62/349517462.db2.gz IGUGIVKFFWUVRM-ZBFHGGJFSA-N 0 3 247.382 3.384 20 0 BGADHN Cc1n[nH]c(C)c1CN1CC[C@@H](C)C2(CCC2)C1 ZINC000354907340 387447195 /nfs/dbraw/zinc/44/71/95/387447195.db2.gz DRBYWTPNAPOPSC-LLVKDONJSA-N 0 3 247.386 3.039 20 0 BGADHN Cc1n[nH]c(C)c1CN1CC[C@H](C)C2(CCC2)C1 ZINC000354907342 387446403 /nfs/dbraw/zinc/44/64/03/387446403.db2.gz DRBYWTPNAPOPSC-NSHDSACASA-N 0 3 247.386 3.039 20 0 BGADHN C[C@@H]1CCN(Cc2ccco2)CC12CCC2 ZINC000354908106 176175273 /nfs/dbraw/zinc/17/52/73/176175273.db2.gz PTUBHWSVWPIBNB-GFCCVEGCSA-N 0 3 219.328 3.292 20 0 BGADHN C[C@H]1CCN(Cc2ccco2)CC12CCC2 ZINC000354908107 177165492 /nfs/dbraw/zinc/16/54/92/177165492.db2.gz PTUBHWSVWPIBNB-LBPRGKRZSA-N 0 3 219.328 3.292 20 0 BGADHN Cc1ncccc1CN1CC[C@@H](C)C2(CCC2)C1 ZINC000354910907 180220917 /nfs/dbraw/zinc/22/09/17/180220917.db2.gz WIRWMURAYZPISV-CYBMUJFWSA-N 0 3 244.382 3.402 20 0 BGADHN Cc1ncccc1CN1CC[C@H](C)C2(CCC2)C1 ZINC000354910913 180220566 /nfs/dbraw/zinc/22/05/66/180220566.db2.gz WIRWMURAYZPISV-ZDUSSCGKSA-N 0 3 244.382 3.402 20 0 BGADHN CC[C@H](CC(F)(F)F)N[C@H](C)c1ccccn1 ZINC000354989102 387458980 /nfs/dbraw/zinc/45/89/80/387458980.db2.gz VEEPLWPBIKXNJL-NXEZZACHSA-N 0 3 246.276 3.463 20 0 BGADHN CC[C@@H](CC(F)(F)F)N[C@@H](C)c1ccccn1 ZINC000354989103 387460420 /nfs/dbraw/zinc/46/04/20/387460420.db2.gz VEEPLWPBIKXNJL-UWVGGRQHSA-N 0 3 246.276 3.463 20 0 BGADHN CC[C@H](CC(F)(F)F)N[C@@H](C)c1ccccn1 ZINC000354989104 387459573 /nfs/dbraw/zinc/45/95/73/387459573.db2.gz VEEPLWPBIKXNJL-VHSXEESVSA-N 0 3 246.276 3.463 20 0 BGADHN CC[C@@H](CC(F)(F)F)N[C@H](C)c1ccccn1 ZINC000354989105 387459973 /nfs/dbraw/zinc/45/99/73/387459973.db2.gz VEEPLWPBIKXNJL-ZJUUUORDSA-N 0 3 246.276 3.463 20 0 BGADHN Cc1cccc2ncc(CN3[C@@H](C)CC[C@@H]3C)n21 ZINC000354990891 179231581 /nfs/dbraw/zinc/23/15/81/179231581.db2.gz DSUXAGAQWCRRCE-RYUDHWBXSA-N 0 3 243.354 3.016 20 0 BGADHN Cc1cccc2ncc(CN3[C@H](C)CC[C@@H]3C)n21 ZINC000354990895 179232162 /nfs/dbraw/zinc/23/21/62/179232162.db2.gz DSUXAGAQWCRRCE-TXEJJXNPSA-N 0 3 243.354 3.016 20 0 BGADHN Cc1cccc2ncc(CN3[C@H](C)CC[C@H]3C)n21 ZINC000354990897 179231268 /nfs/dbraw/zinc/23/12/68/179231268.db2.gz DSUXAGAQWCRRCE-VXGBXAGGSA-N 0 3 243.354 3.016 20 0 BGADHN CCN(CCC1CC1)Cc1sc(C)nc1C ZINC000355030411 387465750 /nfs/dbraw/zinc/46/57/50/387465750.db2.gz CXUDGVIGHWUDRV-UHFFFAOYSA-N 0 3 238.400 3.382 20 0 BGADHN CCN(CCC1CC1)Cc1cnccc1C ZINC000355030905 387466403 /nfs/dbraw/zinc/46/64/03/387466403.db2.gz DYRLSUJPTFAMQZ-UHFFFAOYSA-N 0 3 218.344 3.012 20 0 BGADHN CCN(CCC1CC1)Cc1nc(C)c(C)s1 ZINC000355031523 387468341 /nfs/dbraw/zinc/46/83/41/387468341.db2.gz FSBKOGIKBJQUDV-UHFFFAOYSA-N 0 3 238.400 3.382 20 0 BGADHN CCN(CCC1CC1)Cc1ncccc1C ZINC000355041479 387467252 /nfs/dbraw/zinc/46/72/52/387467252.db2.gz RADLRFUWAVCKFN-UHFFFAOYSA-N 0 3 218.344 3.012 20 0 BGADHN CCN(CCC1CC1)Cc1cc(OC)cc(C)n1 ZINC000355042189 387467347 /nfs/dbraw/zinc/46/73/47/387467347.db2.gz VVSKVROOGVHPRO-UHFFFAOYSA-N 0 3 248.370 3.021 20 0 BGADHN CCN(CCC1CC1)Cc1cnc(C)s1 ZINC000355045801 387469358 /nfs/dbraw/zinc/46/93/58/387469358.db2.gz YPEOHQIGAGYRKF-UHFFFAOYSA-N 0 3 224.373 3.074 20 0 BGADHN CCOc1cccc(CN(CC)CCC2CC2)n1 ZINC000355050307 387470985 /nfs/dbraw/zinc/47/09/85/387470985.db2.gz AXKIQKRZDNZSFK-UHFFFAOYSA-N 0 3 248.370 3.102 20 0 BGADHN CCN(CCC1CC1)Cc1ccc(C)cn1 ZINC000355057306 387472769 /nfs/dbraw/zinc/47/27/69/387472769.db2.gz KDXQPWRARUEJEM-UHFFFAOYSA-N 0 3 218.344 3.012 20 0 BGADHN CCN(CCC1CC1)Cc1nc2ccccc2o1 ZINC000355059174 387472364 /nfs/dbraw/zinc/47/23/64/387472364.db2.gz MUBJYJFIVCQWCT-UHFFFAOYSA-N 0 3 244.338 3.450 20 0 BGADHN CCc1noc(C)c1CN(CC)CCC1CC1 ZINC000355059205 172075153 /nfs/dbraw/zinc/07/51/53/172075153.db2.gz MVRHZJNUWVAERD-UHFFFAOYSA-N 0 3 236.359 3.167 20 0 BGADHN CCCn1cc(CN2C[C@H](C)C[C@H](C)[C@H]2C)cn1 ZINC000355071598 387474782 /nfs/dbraw/zinc/47/47/82/387474782.db2.gz BYUXPTPBLSUHBS-HZSPNIEDSA-N 0 3 249.402 3.160 20 0 BGADHN CCCn1cc(CN2C[C@H](C)C[C@@H](C)[C@@H]2C)cn1 ZINC000355071600 387475290 /nfs/dbraw/zinc/47/52/90/387475290.db2.gz BYUXPTPBLSUHBS-MCIONIFRSA-N 0 3 249.402 3.160 20 0 BGADHN CCCn1cc(CN2C[C@H](C)C[C@@H](C)[C@H]2C)cn1 ZINC000355071601 387475562 /nfs/dbraw/zinc/47/55/62/387475562.db2.gz BYUXPTPBLSUHBS-MGPQQGTHSA-N 0 3 249.402 3.160 20 0 BGADHN CCCn1cc(CN2C[C@H](C)C[C@H](C)[C@@H]2C)cn1 ZINC000355071604 387475499 /nfs/dbraw/zinc/47/54/99/387475499.db2.gz BYUXPTPBLSUHBS-RDBSUJKOSA-N 0 3 249.402 3.160 20 0 BGADHN CCN(CCC1CC1)Cc1ccccc1F ZINC000355072475 387475270 /nfs/dbraw/zinc/47/52/70/387475270.db2.gz XPMZFVGMGZRNPD-UHFFFAOYSA-N 0 3 221.319 3.448 20 0 BGADHN C[C@H]1CCCC[C@H]1NCc1ncc(C2CC2)o1 ZINC000355075494 177089076 /nfs/dbraw/zinc/08/90/76/177089076.db2.gz KEDCMICUTHTYHN-CMPLNLGQSA-N 0 3 234.343 3.220 20 0 BGADHN C[C@H]1CCCC[C@@H]1NCc1ncc(C2CC2)o1 ZINC000355075495 177083500 /nfs/dbraw/zinc/08/35/00/177083500.db2.gz KEDCMICUTHTYHN-JQWIXIFHSA-N 0 3 234.343 3.220 20 0 BGADHN C[C@@H]1CCCC[C@@H]1NCc1ncc(C2CC2)o1 ZINC000355075496 176081825 /nfs/dbraw/zinc/08/18/25/176081825.db2.gz KEDCMICUTHTYHN-PWSUYJOCSA-N 0 3 234.343 3.220 20 0 BGADHN C[C@@H]1CCCC[C@H]1NCc1ncc(C2CC2)o1 ZINC000355075497 176088253 /nfs/dbraw/zinc/08/82/53/176088253.db2.gz KEDCMICUTHTYHN-ZYHUDNBSSA-N 0 3 234.343 3.220 20 0 BGADHN C[C@@H]1C[C@@H](C)[C@@H](C)N(Cc2cncs2)C1 ZINC000355077646 176365643 /nfs/dbraw/zinc/36/56/43/176365643.db2.gz MZIPZBILMYOQRE-GMTAPVOTSA-N 0 3 224.373 3.010 20 0 BGADHN C[C@@H]1C[C@@H](C)[C@H](C)N(Cc2cncs2)C1 ZINC000355077648 387471682 /nfs/dbraw/zinc/47/16/82/387471682.db2.gz MZIPZBILMYOQRE-MXWKQRLJSA-N 0 3 224.373 3.010 20 0 BGADHN C[C@@H]1C[C@H](C)[C@@H](C)N(Cc2cncs2)C1 ZINC000355077652 177315277 /nfs/dbraw/zinc/31/52/77/177315277.db2.gz MZIPZBILMYOQRE-OUAUKWLOSA-N 0 3 224.373 3.010 20 0 BGADHN C[C@@H]1C[C@H](C)[C@H](C)N(Cc2cncs2)C1 ZINC000355077655 177314301 /nfs/dbraw/zinc/31/43/01/177314301.db2.gz MZIPZBILMYOQRE-VWYCJHECSA-N 0 3 224.373 3.010 20 0 BGADHN C[C@@H]1C[C@@H](C)[C@@H](C)N(Cc2nccs2)C1 ZINC000355079362 176366014 /nfs/dbraw/zinc/36/60/14/176366014.db2.gz QGZCXMDJNZRSGH-GMTAPVOTSA-N 0 3 224.373 3.010 20 0 BGADHN C[C@@H]1C[C@@H](C)[C@H](C)N(Cc2nccs2)C1 ZINC000355079363 387477503 /nfs/dbraw/zinc/47/75/03/387477503.db2.gz QGZCXMDJNZRSGH-MXWKQRLJSA-N 0 3 224.373 3.010 20 0 BGADHN C[C@@H]1C[C@H](C)[C@@H](C)N(Cc2nccs2)C1 ZINC000355079365 177314100 /nfs/dbraw/zinc/31/41/00/177314100.db2.gz QGZCXMDJNZRSGH-OUAUKWLOSA-N 0 3 224.373 3.010 20 0 BGADHN C[C@@H]1C[C@H](C)[C@H](C)N(Cc2nccs2)C1 ZINC000355079367 177315671 /nfs/dbraw/zinc/31/56/71/177315671.db2.gz QGZCXMDJNZRSGH-VWYCJHECSA-N 0 3 224.373 3.010 20 0 BGADHN CC(C)n1cc(CN2C[C@H](C)C[C@H](C)[C@H]2C)cn1 ZINC000355079552 387477101 /nfs/dbraw/zinc/47/71/01/387477101.db2.gz CSLYLQVWVSMBHG-HZSPNIEDSA-N 0 3 249.402 3.330 20 0 BGADHN CC(C)n1cc(CN2C[C@H](C)C[C@@H](C)[C@@H]2C)cn1 ZINC000355079553 387477884 /nfs/dbraw/zinc/47/78/84/387477884.db2.gz CSLYLQVWVSMBHG-MCIONIFRSA-N 0 3 249.402 3.330 20 0 BGADHN CC(C)n1cc(CN2C[C@H](C)C[C@@H](C)[C@H]2C)cn1 ZINC000355079554 387477739 /nfs/dbraw/zinc/47/77/39/387477739.db2.gz CSLYLQVWVSMBHG-MGPQQGTHSA-N 0 3 249.402 3.330 20 0 BGADHN CC(C)n1cc(CN2C[C@H](C)C[C@H](C)[C@@H]2C)cn1 ZINC000355079555 398096969 /nfs/dbraw/zinc/09/69/69/398096969.db2.gz CSLYLQVWVSMBHG-RDBSUJKOSA-N 0 3 249.402 3.330 20 0 BGADHN CCOc1cccc(CN(C)[C@H](C)C2(C)CC2)n1 ZINC000355083201 387477089 /nfs/dbraw/zinc/47/70/89/387477089.db2.gz SLZASVIIHQKVGI-GFCCVEGCSA-N 0 3 248.370 3.101 20 0 BGADHN CCOc1cccc(CN(C)[C@@H](C)C2(C)CC2)n1 ZINC000355083203 387477129 /nfs/dbraw/zinc/47/71/29/387477129.db2.gz SLZASVIIHQKVGI-LBPRGKRZSA-N 0 3 248.370 3.101 20 0 BGADHN CC(C)c1ncc(CN2CC[C@@H](C)[C@@H]2C)s1 ZINC000355103122 387479175 /nfs/dbraw/zinc/47/91/75/387479175.db2.gz DLDRMCHAFHPJQY-MNOVXSKESA-N 0 3 238.400 3.497 20 0 BGADHN CC(C)c1ncc(CN2CC[C@H](C)[C@@H]2C)s1 ZINC000355103125 188062620 /nfs/dbraw/zinc/06/26/20/188062620.db2.gz DLDRMCHAFHPJQY-QWRGUYRKSA-N 0 3 238.400 3.497 20 0 BGADHN C[C@@H]1CCN(Cc2ccc(Cl)o2)[C@H]1C ZINC000355107967 411301510 /nfs/dbraw/zinc/30/15/10/411301510.db2.gz JSEZRGRJUDYDJJ-BDAKNGLRSA-N 0 3 213.708 3.163 20 0 BGADHN C[C@H]1CCN(Cc2ccc(Cl)o2)[C@H]1C ZINC000355107972 177163105 /nfs/dbraw/zinc/16/31/05/177163105.db2.gz JSEZRGRJUDYDJJ-IUCAKERBSA-N 0 3 213.708 3.163 20 0 BGADHN C[C@@H]1C[C@H](C)CC[N@@H+](Cc2cccc([O-])c2)C1 ZINC000355116731 176176052 /nfs/dbraw/zinc/17/60/52/176176052.db2.gz SVCKFSDHVOZJBF-CHWSQXEVSA-N 0 3 233.355 3.260 20 0 BGADHN C[C@@H]1C[C@H](C)CC[N@H+](Cc2cccc([O-])c2)C1 ZINC000355116731 176176051 /nfs/dbraw/zinc/17/60/51/176176051.db2.gz SVCKFSDHVOZJBF-CHWSQXEVSA-N 0 3 233.355 3.260 20 0 BGADHN C[C@@H]1CC[N@@H+](Cc2cccc([O-])c2)C[C@@H](C)C1 ZINC000355116732 176175913 /nfs/dbraw/zinc/17/59/13/176175913.db2.gz SVCKFSDHVOZJBF-OLZOCXBDSA-N 0 3 233.355 3.260 20 0 BGADHN C[C@@H]1CC[N@H+](Cc2cccc([O-])c2)C[C@@H](C)C1 ZINC000355116732 176175911 /nfs/dbraw/zinc/17/59/11/176175911.db2.gz SVCKFSDHVOZJBF-OLZOCXBDSA-N 0 3 233.355 3.260 20 0 BGADHN C[C@H]1CC[N@@H+](Cc2cccc([O-])c2)C[C@H](C)C1 ZINC000355116733 177164496 /nfs/dbraw/zinc/16/44/96/177164496.db2.gz SVCKFSDHVOZJBF-QWHCGFSZSA-N 0 3 233.355 3.260 20 0 BGADHN C[C@H]1CC[N@H+](Cc2cccc([O-])c2)C[C@H](C)C1 ZINC000355116733 177164494 /nfs/dbraw/zinc/16/44/94/177164494.db2.gz SVCKFSDHVOZJBF-QWHCGFSZSA-N 0 3 233.355 3.260 20 0 BGADHN C[C@H]1CC[N@@H+](Cc2cccc([O-])c2)C[C@@H](C)C1 ZINC000355116736 177310166 /nfs/dbraw/zinc/31/01/66/177310166.db2.gz SVCKFSDHVOZJBF-STQMWFEESA-N 0 3 233.355 3.260 20 0 BGADHN C[C@H]1CC[N@H+](Cc2cccc([O-])c2)C[C@@H](C)C1 ZINC000355116736 177310165 /nfs/dbraw/zinc/31/01/65/177310165.db2.gz SVCKFSDHVOZJBF-STQMWFEESA-N 0 3 233.355 3.260 20 0 BGADHN Cc1ccc(F)c(CN2CC[C@@H](C)[C@@H]2C)c1 ZINC000355119396 387483358 /nfs/dbraw/zinc/48/33/58/387483358.db2.gz WVTZFYPLBHFZBM-NEPJUHHUSA-N 0 3 221.319 3.364 20 0 BGADHN Cc1ccc(F)c(CN2CC[C@H](C)[C@H]2C)c1 ZINC000355119397 387483623 /nfs/dbraw/zinc/48/36/23/387483623.db2.gz WVTZFYPLBHFZBM-NWDGAFQWSA-N 0 3 221.319 3.364 20 0 BGADHN Cc1ccc(F)c(CN2CC[C@H](C)[C@@H]2C)c1 ZINC000355119398 387483173 /nfs/dbraw/zinc/48/31/73/387483173.db2.gz WVTZFYPLBHFZBM-RYUDHWBXSA-N 0 3 221.319 3.364 20 0 BGADHN Cc1ccc(F)c(CN2CC[C@@H](C)[C@H]2C)c1 ZINC000355119399 387482012 /nfs/dbraw/zinc/48/20/12/387482012.db2.gz WVTZFYPLBHFZBM-VXGBXAGGSA-N 0 3 221.319 3.364 20 0 BGADHN CC(C)n1nccc1CN[C@H]1CCC12CCCC2 ZINC000355129997 387485387 /nfs/dbraw/zinc/48/53/87/387485387.db2.gz XRHGZCJVIFXLCL-AWEZNQCLSA-N 0 3 247.386 3.276 20 0 BGADHN CC(C)n1nccc1CN[C@@H]1CCC12CCCC2 ZINC000355129998 387484244 /nfs/dbraw/zinc/48/42/44/387484244.db2.gz XRHGZCJVIFXLCL-CQSZACIVSA-N 0 3 247.386 3.276 20 0 BGADHN CC1(CCNCc2cc(F)c(F)cc2F)CC1 ZINC000355132194 168019851 /nfs/dbraw/zinc/01/98/51/168019851.db2.gz MDBNQHZDRPLXPB-UHFFFAOYSA-N 0 3 243.272 3.384 20 0 BGADHN Cc1ccc(F)c(CNCC2(C(F)F)CC2)c1 ZINC000355145862 387483334 /nfs/dbraw/zinc/48/33/34/387483334.db2.gz FRVZNAVETJSGFR-UHFFFAOYSA-N 0 3 243.272 3.269 20 0 BGADHN Fc1ccc(CNCC2(C(F)F)CC2)cc1F ZINC000355148204 387486790 /nfs/dbraw/zinc/48/67/90/387486790.db2.gz IPZBPNDVXLMSED-UHFFFAOYSA-N 0 3 247.235 3.100 20 0 BGADHN Fc1ccc(F)c(CNCC2(C(F)F)CC2)c1 ZINC000355153371 385950382 /nfs/dbraw/zinc/95/03/82/385950382.db2.gz KDCAHXXKBWNDHK-UHFFFAOYSA-N 0 3 247.235 3.100 20 0 BGADHN Cc1ccc(F)cc1CNCC1(C(F)F)CC1 ZINC000355153388 387487469 /nfs/dbraw/zinc/48/74/69/387487469.db2.gz KFSFCLFWZLUUMS-UHFFFAOYSA-N 0 3 243.272 3.269 20 0 BGADHN CC(C)CC[C@@H]1CCCCN1Cc1ccn(C)n1 ZINC000355159373 387490789 /nfs/dbraw/zinc/49/07/89/387490789.db2.gz DCNRQUQOOTZQFA-HNNXBMFYSA-N 0 3 249.402 3.211 20 0 BGADHN CC(C)CC[C@H]1CCCCN1Cc1ccn(C)n1 ZINC000355159374 356751766 /nfs/dbraw/zinc/75/17/66/356751766.db2.gz DCNRQUQOOTZQFA-OAHLLOKOSA-N 0 3 249.402 3.211 20 0 BGADHN Cc1ccc(CNCC2(C(F)F)CC2)cc1F ZINC000355162476 187549581 /nfs/dbraw/zinc/54/95/81/187549581.db2.gz WUPKCNFIOWAMLG-UHFFFAOYSA-N 0 3 243.272 3.269 20 0 BGADHN Fc1cc(F)cc(CNCC2(C(F)F)CC2)c1 ZINC000355162489 387488785 /nfs/dbraw/zinc/48/87/85/387488785.db2.gz WVEBGUKLCQELDM-UHFFFAOYSA-N 0 3 247.235 3.100 20 0 BGADHN Oc1cc(F)cc(CN2CCCC3(CCC3)C2)c1 ZINC000355196089 183258578 /nfs/dbraw/zinc/25/85/78/183258578.db2.gz HGORSASLRJNSDD-UHFFFAOYSA-N 0 3 249.329 3.297 20 0 BGADHN Cn1ccc(CN2CC=C(C(C)(C)C)CC2)c1 ZINC000355197185 398331732 /nfs/dbraw/zinc/33/17/32/398331732.db2.gz LTTPQPGZRPWDRX-UHFFFAOYSA-N 0 3 232.371 3.203 20 0 BGADHN Cn1cccc1CN1CC=C(C(C)(C)C)CC1 ZINC000355201808 398331941 /nfs/dbraw/zinc/33/19/41/398331941.db2.gz VAXOSDAHUDCREY-UHFFFAOYSA-N 0 3 232.371 3.203 20 0 BGADHN Cc1ccc(F)c(CN(C)CCC2CC2)c1 ZINC000355203724 398331968 /nfs/dbraw/zinc/33/19/68/398331968.db2.gz XOYBNSGYMRYTRH-UHFFFAOYSA-N 0 3 221.319 3.366 20 0 BGADHN COc1ccccc1CN1CCCC2(CCC2)C1 ZINC000355206985 175326622 /nfs/dbraw/zinc/32/66/22/175326622.db2.gz WMSXXNRMNHSILE-UHFFFAOYSA-N 0 3 245.366 3.461 20 0 BGADHN CN(Cc1ccoc1)[C@H]1C[C@@H]1c1ccccc1 ZINC000355208839 387498203 /nfs/dbraw/zinc/49/82/03/387498203.db2.gz IBEPBTMSFMSREH-CABCVRRESA-N 0 3 227.307 3.268 20 0 BGADHN CN(Cc1ccoc1)[C@H]1C[C@H]1c1ccccc1 ZINC000355208843 387497321 /nfs/dbraw/zinc/49/73/21/387497321.db2.gz IBEPBTMSFMSREH-GJZGRUSLSA-N 0 3 227.307 3.268 20 0 BGADHN CN(Cc1ccoc1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000355208850 387497246 /nfs/dbraw/zinc/49/72/46/387497246.db2.gz IBEPBTMSFMSREH-HUUCEWRRSA-N 0 3 227.307 3.268 20 0 BGADHN CN(Cc1ccoc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000355208856 387496721 /nfs/dbraw/zinc/49/67/21/387496721.db2.gz IBEPBTMSFMSREH-LSDHHAIUSA-N 0 3 227.307 3.268 20 0 BGADHN Cc1ccc(CN2CCCC3(CCC3)C2)o1 ZINC000355209152 387491889 /nfs/dbraw/zinc/49/18/89/387491889.db2.gz ZNXANWVQYYCILD-UHFFFAOYSA-N 0 3 219.328 3.354 20 0 BGADHN CCCCC[C@H]1CCCN1Cc1nccn1CC ZINC000355209684 387497864 /nfs/dbraw/zinc/49/78/64/387497864.db2.gz JTDCJXGZVVOOKX-AWEZNQCLSA-N 0 3 249.402 3.448 20 0 BGADHN CCCCC[C@@H]1CCCN1Cc1nccn1CC ZINC000355209686 387497974 /nfs/dbraw/zinc/49/79/74/387497974.db2.gz JTDCJXGZVVOOKX-CQSZACIVSA-N 0 3 249.402 3.448 20 0 BGADHN Cc1ccc(CN2CCCC3(CCC3)C2)cn1 ZINC000355210119 387496348 /nfs/dbraw/zinc/49/63/48/387496348.db2.gz BFMBCKNRYHMMDA-UHFFFAOYSA-N 0 3 230.355 3.156 20 0 BGADHN C(=C/c1ccncc1)\CN1CCCC2(CCC2)C1 ZINC000355213015 387496197 /nfs/dbraw/zinc/49/61/97/387496197.db2.gz KKJRXMGGNUHYGJ-DAFODLJHSA-N 0 3 242.366 3.361 20 0 BGADHN C(=C\c1ccncc1)\CN1CCCC2(CCC2)C1 ZINC000355213024 166228280 /nfs/dbraw/zinc/22/82/80/166228280.db2.gz KKJRXMGGNUHYGJ-RJRFIUFISA-N 0 3 242.366 3.361 20 0 BGADHN CCCCC[C@H]1CCCN1Cc1cnc(C)cn1 ZINC000355213117 387497713 /nfs/dbraw/zinc/49/77/13/387497713.db2.gz PTELEUZSBUSUGR-HNNXBMFYSA-N 0 3 247.386 3.330 20 0 BGADHN CCCCC[C@@H]1CCCN1Cc1cnc(C)cn1 ZINC000355213119 387498542 /nfs/dbraw/zinc/49/85/42/387498542.db2.gz PTELEUZSBUSUGR-OAHLLOKOSA-N 0 3 247.386 3.330 20 0 BGADHN Cc1ccoc1CN1CCCC2(CCC2)C1 ZINC000355215145 387498341 /nfs/dbraw/zinc/49/83/41/387498341.db2.gz HYUQWSIUNRBPRC-UHFFFAOYSA-N 0 3 219.328 3.354 20 0 BGADHN c1ncc(CN2CCC[C@H]2CCC2CCCC2)[nH]1 ZINC000355217372 387497845 /nfs/dbraw/zinc/49/78/45/387497845.db2.gz GUBLTOMICLCERE-HNNXBMFYSA-N 0 3 247.386 3.345 20 0 BGADHN c1nc(CN2CCC[C@H]2CCC2CCCC2)c[nH]1 ZINC000355217372 387497841 /nfs/dbraw/zinc/49/78/41/387497841.db2.gz GUBLTOMICLCERE-HNNXBMFYSA-N 0 3 247.386 3.345 20 0 BGADHN c1ncc(CN2CCC[C@@H]2CCC2CCCC2)[nH]1 ZINC000355217374 387496514 /nfs/dbraw/zinc/49/65/14/387496514.db2.gz GUBLTOMICLCERE-OAHLLOKOSA-N 0 3 247.386 3.345 20 0 BGADHN c1nc(CN2CCC[C@@H]2CCC2CCCC2)c[nH]1 ZINC000355217374 387496509 /nfs/dbraw/zinc/49/65/09/387496509.db2.gz GUBLTOMICLCERE-OAHLLOKOSA-N 0 3 247.386 3.345 20 0 BGADHN c1cc(CN2CCC[C@H]2CCC2CCCC2)n[nH]1 ZINC000355218386 183342450 /nfs/dbraw/zinc/34/24/50/183342450.db2.gz IAUSHSWRSZHGPS-HNNXBMFYSA-N 0 3 247.386 3.345 20 0 BGADHN c1cc(CN2CCC[C@@H]2CCC2CCCC2)n[nH]1 ZINC000355218387 183343229 /nfs/dbraw/zinc/34/32/29/183343229.db2.gz IAUSHSWRSZHGPS-OAHLLOKOSA-N 0 3 247.386 3.345 20 0 BGADHN CCCCC[C@H]1CCCN1Cc1cncnc1 ZINC000355218634 538789562 /nfs/dbraw/zinc/78/95/62/538789562.db2.gz XYBUCPABJLGGRR-AWEZNQCLSA-N 0 3 233.359 3.021 20 0 BGADHN CCCCC[C@@H]1CCCN1Cc1cncnc1 ZINC000355218646 538787916 /nfs/dbraw/zinc/78/79/16/538787916.db2.gz XYBUCPABJLGGRR-CQSZACIVSA-N 0 3 233.359 3.021 20 0 BGADHN CCCCC[C@H]1CCCN1Cc1cnn(CC)c1 ZINC000355219799 387500266 /nfs/dbraw/zinc/50/02/66/387500266.db2.gz ZWVHZPCHQOGAEN-HNNXBMFYSA-N 0 3 249.402 3.448 20 0 BGADHN CCCCC[C@@H]1CCCN1Cc1cnn(CC)c1 ZINC000355219800 387500042 /nfs/dbraw/zinc/50/00/42/387500042.db2.gz ZWVHZPCHQOGAEN-OAHLLOKOSA-N 0 3 249.402 3.448 20 0 BGADHN COCc1ccc(CN2CCCC3(CCC3)C2)o1 ZINC000355225410 387499465 /nfs/dbraw/zinc/49/94/65/387499465.db2.gz SGQUWQBNXFEPLW-UHFFFAOYSA-N 0 3 249.354 3.192 20 0 BGADHN CCCn1cc(CN2CCCC3(CCC3)C2)cn1 ZINC000355228372 387501997 /nfs/dbraw/zinc/50/19/97/387501997.db2.gz VBPJDIPFNXXCGN-UHFFFAOYSA-N 0 3 247.386 3.059 20 0 BGADHN CC[C@H]1CCC[C@H](CN(C)Cc2ccnn2C)C1 ZINC000355285291 387511960 /nfs/dbraw/zinc/51/19/60/387511960.db2.gz GRUYKSLKMRKZJX-KBPBESRZSA-N 0 3 249.402 3.068 20 0 BGADHN CC[C@@H]1CCC[C@H](CN(C)Cc2ccnn2C)C1 ZINC000355285293 356754794 /nfs/dbraw/zinc/75/47/94/356754794.db2.gz GRUYKSLKMRKZJX-KGLIPLIRSA-N 0 3 249.402 3.068 20 0 BGADHN CC[C@H]1CCC[C@@H](CN(C)Cc2ccnn2C)C1 ZINC000355285295 387511297 /nfs/dbraw/zinc/51/12/97/387511297.db2.gz GRUYKSLKMRKZJX-UONOGXRCSA-N 0 3 249.402 3.068 20 0 BGADHN CC[C@@H]1CCC[C@@H](CN(C)Cc2ccnn2C)C1 ZINC000355285298 356754851 /nfs/dbraw/zinc/75/48/51/356754851.db2.gz GRUYKSLKMRKZJX-ZIAGYGMSSA-N 0 3 249.402 3.068 20 0 BGADHN Cc1ccc(CN2CC[C@](C)(F)C2)c(C)c1 ZINC000355353734 387524234 /nfs/dbraw/zinc/52/42/34/387524234.db2.gz KDBZEEVCRVZGBG-AWEZNQCLSA-N 0 3 221.319 3.237 20 0 BGADHN Cc1ccc(CN2CC[C@@](C)(F)C2)c(C)c1 ZINC000355353738 387523295 /nfs/dbraw/zinc/52/32/95/387523295.db2.gz KDBZEEVCRVZGBG-CQSZACIVSA-N 0 3 221.319 3.237 20 0 BGADHN Cc1cccc(CN2CC[C@](C)(F)C2)c1C ZINC000355355859 179081354 /nfs/dbraw/zinc/08/13/54/179081354.db2.gz OHVOXCLMNPDZFN-AWEZNQCLSA-N 0 3 221.319 3.237 20 0 BGADHN Cc1cccc(CN2CC[C@@](C)(F)C2)c1C ZINC000355355860 179081195 /nfs/dbraw/zinc/08/11/95/179081195.db2.gz OHVOXCLMNPDZFN-CQSZACIVSA-N 0 3 221.319 3.237 20 0 BGADHN C[C@]1(F)CCN(C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000355356924 387523935 /nfs/dbraw/zinc/52/39/35/387523935.db2.gz SWIVQFMBHYFZDD-ILXRZTDVSA-N 0 3 233.330 3.224 20 0 BGADHN C[C@]1(F)CCN(C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000355356926 387524101 /nfs/dbraw/zinc/52/41/01/387524101.db2.gz SWIVQFMBHYFZDD-KFWWJZLASA-N 0 3 233.330 3.224 20 0 BGADHN C[C@]1(F)CCN(C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000355356928 387523585 /nfs/dbraw/zinc/52/35/85/387523585.db2.gz SWIVQFMBHYFZDD-KKUMJFAQSA-N 0 3 233.330 3.224 20 0 BGADHN C[C@]1(F)CCN(C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000355356929 387524207 /nfs/dbraw/zinc/52/42/07/387524207.db2.gz SWIVQFMBHYFZDD-ZNMIVQPWSA-N 0 3 233.330 3.224 20 0 BGADHN CC(C)n1ccnc1CN1CCC[C@@H]1C(C)(C)C ZINC000355357546 387526073 /nfs/dbraw/zinc/52/60/73/387526073.db2.gz VKEUVQQEKXVYLZ-CYBMUJFWSA-N 0 3 249.402 3.475 20 0 BGADHN CC(C)n1ccnc1CN1CCC[C@H]1C(C)(C)C ZINC000355357549 387525469 /nfs/dbraw/zinc/52/54/69/387525469.db2.gz VKEUVQQEKXVYLZ-ZDUSSCGKSA-N 0 3 249.402 3.475 20 0 BGADHN C[C@]1(F)CCN(Cc2cccc3[nH]ccc32)C1 ZINC000355358919 387525836 /nfs/dbraw/zinc/52/58/36/387525836.db2.gz ZUQWJVNWQWZJFL-AWEZNQCLSA-N 0 3 232.302 3.102 20 0 BGADHN C[C@@]1(F)CCN(Cc2cccc3[nH]ccc32)C1 ZINC000355358923 387526174 /nfs/dbraw/zinc/52/61/74/387526174.db2.gz ZUQWJVNWQWZJFL-CQSZACIVSA-N 0 3 232.302 3.102 20 0 BGADHN Cc1ccc(CN2CC[C@](C)(F)C2)cc1C ZINC000355365720 387528137 /nfs/dbraw/zinc/52/81/37/387528137.db2.gz NGIOCLSOCNQCGN-AWEZNQCLSA-N 0 3 221.319 3.237 20 0 BGADHN Cc1ccc(CN2CC[C@@](C)(F)C2)cc1C ZINC000355365721 387527625 /nfs/dbraw/zinc/52/76/25/387527625.db2.gz NGIOCLSOCNQCGN-CQSZACIVSA-N 0 3 221.319 3.237 20 0 BGADHN C[C@]1(F)CCN(Cc2cccc3cc[nH]c32)C1 ZINC000355369938 387527766 /nfs/dbraw/zinc/52/77/66/387527766.db2.gz UBEGCOGRTWEMIQ-AWEZNQCLSA-N 0 3 232.302 3.102 20 0 BGADHN C[C@@]1(F)CCN(Cc2cccc3cc[nH]c32)C1 ZINC000355369939 386082054 /nfs/dbraw/zinc/08/20/54/386082054.db2.gz UBEGCOGRTWEMIQ-CQSZACIVSA-N 0 3 232.302 3.102 20 0 BGADHN CO[C@H](C)CN1CCc2c(cccc2C(C)C)C1 ZINC000355378697 387530275 /nfs/dbraw/zinc/53/02/75/387530275.db2.gz JZDWPZCWSORTOK-CYBMUJFWSA-N 0 3 247.382 3.203 20 0 BGADHN CO[C@@H](C)CN1CCc2c(cccc2C(C)C)C1 ZINC000355378699 386085322 /nfs/dbraw/zinc/08/53/22/386085322.db2.gz JZDWPZCWSORTOK-ZDUSSCGKSA-N 0 3 247.382 3.203 20 0 BGADHN CCOCCN1CCc2c(cccc2C(C)C)C1 ZINC000355381124 387529986 /nfs/dbraw/zinc/52/99/86/387529986.db2.gz WSPVVUISQFOPTN-UHFFFAOYSA-N 0 3 247.382 3.205 20 0 BGADHN COCCCN1CCc2c(cccc2C(C)C)C1 ZINC000355382323 174233162 /nfs/dbraw/zinc/23/31/62/174233162.db2.gz LMJUSVJTBJYIPW-UHFFFAOYSA-N 0 3 247.382 3.205 20 0 BGADHN CC1CCC(C)(CNCc2ccccn2)CC1 ZINC000355410560 168150370 /nfs/dbraw/zinc/15/03/70/168150370.db2.gz GVAYALIZYUFGEW-UHFFFAOYSA-N 0 3 232.371 3.388 20 0 BGADHN CC[C@@]1(C)C[C@H]1C(=O)N1CCC(C)(C2CC2)CC1 ZINC000355451376 171207061 /nfs/dbraw/zinc/20/70/61/171207061.db2.gz DJGCBBJEWMFMTA-ZFWWWQNUSA-N 0 3 249.398 3.461 20 0 BGADHN CN(C)CCSC[C@H]1CCc2ccccc21 ZINC000355455479 387539810 /nfs/dbraw/zinc/53/98/10/387539810.db2.gz DJZNVAOUDSYBSC-CYBMUJFWSA-N 0 3 235.396 3.011 20 0 BGADHN CN(C)CCSC[C@@H]1CCc2ccccc21 ZINC000355455481 387540194 /nfs/dbraw/zinc/54/01/94/387540194.db2.gz DJZNVAOUDSYBSC-ZDUSSCGKSA-N 0 3 235.396 3.011 20 0 BGADHN CCN(CCC1CC1)Cc1cnn(C(C)(C)C)c1 ZINC000355499497 386151847 /nfs/dbraw/zinc/15/18/47/386151847.db2.gz CDWHCUOMBPQSQM-UHFFFAOYSA-N 0 3 249.402 3.260 20 0 BGADHN C[C@@H]1CC[N@@H+](Cc2cccc([O-])c2)CC1(C)C ZINC000355499763 176176154 /nfs/dbraw/zinc/17/61/54/176176154.db2.gz BGGJPSHDBYJUPH-GFCCVEGCSA-N 0 3 233.355 3.260 20 0 BGADHN C[C@@H]1CC[N@H+](Cc2cccc([O-])c2)CC1(C)C ZINC000355499763 176176153 /nfs/dbraw/zinc/17/61/53/176176153.db2.gz BGGJPSHDBYJUPH-GFCCVEGCSA-N 0 3 233.355 3.260 20 0 BGADHN C[C@H]1CC[N@@H+](Cc2cccc([O-])c2)CC1(C)C ZINC000355499767 177165275 /nfs/dbraw/zinc/16/52/75/177165275.db2.gz BGGJPSHDBYJUPH-LBPRGKRZSA-N 0 3 233.355 3.260 20 0 BGADHN C[C@H]1CC[N@H+](Cc2cccc([O-])c2)CC1(C)C ZINC000355499767 177165273 /nfs/dbraw/zinc/16/52/73/177165273.db2.gz BGGJPSHDBYJUPH-LBPRGKRZSA-N 0 3 233.355 3.260 20 0 BGADHN CCCn1cc(CN2CC[C@@H](C)C(C)(C)C2)cn1 ZINC000355499905 387542712 /nfs/dbraw/zinc/54/27/12/387542712.db2.gz BWNAFBYYCGUQCP-CYBMUJFWSA-N 0 3 249.402 3.161 20 0 BGADHN CCCn1cc(CN2CC[C@H](C)C(C)(C)C2)cn1 ZINC000355499906 387542906 /nfs/dbraw/zinc/54/29/06/387542906.db2.gz BWNAFBYYCGUQCP-ZDUSSCGKSA-N 0 3 249.402 3.161 20 0 BGADHN CCN(CCC1CC1)Cc1ccc(COC)o1 ZINC000355499947 387542474 /nfs/dbraw/zinc/54/24/74/387542474.db2.gz CAEFGVMDTPHMJH-UHFFFAOYSA-N 0 3 237.343 3.048 20 0 BGADHN CCc1ccc(CN(CC)CCC2CC2)o1 ZINC000355504399 387544188 /nfs/dbraw/zinc/54/41/88/387544188.db2.gz GFGLCBZGCHNDGK-UHFFFAOYSA-N 0 3 221.344 3.464 20 0 BGADHN CCN(CCC1CC1)Cc1ccccc1OC ZINC000355505229 169824138 /nfs/dbraw/zinc/82/41/38/169824138.db2.gz GEEVHJKLOJOHMC-UHFFFAOYSA-N 0 3 233.355 3.317 20 0 BGADHN CCN(CCC1CC1)Cc1occc1C ZINC000355505940 387544845 /nfs/dbraw/zinc/54/48/45/387544845.db2.gz HILLKRRFVYQARY-UHFFFAOYSA-N 0 3 207.317 3.210 20 0 BGADHN C[C@@H]1CCN(Cc2ccco2)CC1(C)C ZINC000355507138 176175903 /nfs/dbraw/zinc/17/59/03/176175903.db2.gz JEPCHPCQXIFGBY-LLVKDONJSA-N 0 3 207.317 3.148 20 0 BGADHN C[C@H]1CCN(Cc2ccco2)CC1(C)C ZINC000355507140 177165665 /nfs/dbraw/zinc/16/56/65/177165665.db2.gz JEPCHPCQXIFGBY-NSHDSACASA-N 0 3 207.317 3.148 20 0 BGADHN Cc1ccoc1CN1CC[C@@H](C)C(C)(C)C1 ZINC000355508516 387544693 /nfs/dbraw/zinc/54/46/93/387544693.db2.gz KWVMKAGOJGEWBF-GFCCVEGCSA-N 0 3 221.344 3.456 20 0 BGADHN Cc1ccoc1CN1CC[C@H](C)C(C)(C)C1 ZINC000355509593 387544443 /nfs/dbraw/zinc/54/44/43/387544443.db2.gz KWVMKAGOJGEWBF-LBPRGKRZSA-N 0 3 221.344 3.456 20 0 BGADHN CCN(CCC1CC1)Cc1cccc2c1OCO2 ZINC000355511000 387546503 /nfs/dbraw/zinc/54/65/03/387546503.db2.gz NDMVBTKKTVVRPT-UHFFFAOYSA-N 0 3 247.338 3.037 20 0 BGADHN CCN(CCC1CC1)Cc1cccc(O)c1OC ZINC000355513720 387546309 /nfs/dbraw/zinc/54/63/09/387546309.db2.gz OSXDUSAORMASBT-UHFFFAOYSA-N 0 3 249.354 3.023 20 0 BGADHN CCN(CCC1CC1)Cc1sccc1OC ZINC000355516031 387545641 /nfs/dbraw/zinc/54/56/41/387545641.db2.gz SFVPXXCQVDIKGM-UHFFFAOYSA-N 0 3 239.384 3.379 20 0 BGADHN CCc1ncc(CN(CC)CCC2CC2)s1 ZINC000355516289 187211357 /nfs/dbraw/zinc/21/13/57/187211357.db2.gz ROHCCHZVGVTITP-UHFFFAOYSA-N 0 3 238.400 3.328 20 0 BGADHN Cc1ccc(CN2CC[C@@H](C)C(C)(C)C2)o1 ZINC000355517331 387546047 /nfs/dbraw/zinc/54/60/47/387546047.db2.gz SCBDZHIJPXLJFI-LLVKDONJSA-N 0 3 221.344 3.456 20 0 BGADHN Cc1ccc(CN2CC[C@H](C)C(C)(C)C2)o1 ZINC000355517336 387546165 /nfs/dbraw/zinc/54/61/65/387546165.db2.gz SCBDZHIJPXLJFI-NSHDSACASA-N 0 3 221.344 3.456 20 0 BGADHN CCN(CCC1CC1)Cc1cnn(C(C)C)c1 ZINC000355517429 387545910 /nfs/dbraw/zinc/54/59/10/387545910.db2.gz SHOHGOUMOYWZAU-UHFFFAOYSA-N 0 3 235.375 3.086 20 0 BGADHN CCN(CCC1CC1)Cc1ccc(C)o1 ZINC000355517515 169823935 /nfs/dbraw/zinc/82/39/35/169823935.db2.gz SSFFGYNNUMFOJE-UHFFFAOYSA-N 0 3 207.317 3.210 20 0 BGADHN CCN(CCC1CC1)Cc1c(C)nn(CC)c1C ZINC000355518632 387546007 /nfs/dbraw/zinc/54/60/07/387546007.db2.gz UROBOTQSAFSLTG-UHFFFAOYSA-N 0 3 249.402 3.142 20 0 BGADHN CC(C)n1cc(CN2CC[C@@H](C)C(C)(C)C2)cn1 ZINC000355521242 387545813 /nfs/dbraw/zinc/54/58/13/387545813.db2.gz XZAJAIXIZBWAEC-CYBMUJFWSA-N 0 3 249.402 3.332 20 0 BGADHN CC(C)n1cc(CN2CC[C@H](C)C(C)(C)C2)cn1 ZINC000355521244 387546120 /nfs/dbraw/zinc/54/61/20/387546120.db2.gz XZAJAIXIZBWAEC-ZDUSSCGKSA-N 0 3 249.402 3.332 20 0 BGADHN CCN(CCC1CC1)Cc1cnn(CC(C)C)c1 ZINC000355521491 387545708 /nfs/dbraw/zinc/54/57/08/387545708.db2.gz YGBPEVOBTDLBSI-UHFFFAOYSA-N 0 3 249.402 3.161 20 0 BGADHN C[C@H]1CCN(Cc2cncs2)CC1(C)C ZINC000355525382 177167175 /nfs/dbraw/zinc/16/71/75/177167175.db2.gz VEFRZAUJLONSJA-JTQLQIEISA-N 0 3 224.373 3.011 20 0 BGADHN C[C@@H]1CCN(Cc2cncs2)CC1(C)C ZINC000355525423 176177620 /nfs/dbraw/zinc/17/76/20/176177620.db2.gz VEFRZAUJLONSJA-SNVBAGLBSA-N 0 3 224.373 3.011 20 0 BGADHN Cc1ccncc1CN(C)CC1(C)CCC1 ZINC000355576577 187376224 /nfs/dbraw/zinc/37/62/24/187376224.db2.gz CHPVUQIJZHPVIJ-UHFFFAOYSA-N 0 3 218.344 3.012 20 0 BGADHN CC(C)n1cc(CN(C)[C@H]2CCC(C)(C)C2)cn1 ZINC000355577039 387552958 /nfs/dbraw/zinc/55/29/58/387552958.db2.gz ASHSKYIDVKGNTD-AWEZNQCLSA-N 0 3 249.402 3.475 20 0 BGADHN CC(C)n1cc(CN(C)[C@@H]2CCC(C)(C)C2)cn1 ZINC000355577041 387552498 /nfs/dbraw/zinc/55/24/98/387552498.db2.gz ASHSKYIDVKGNTD-CQSZACIVSA-N 0 3 249.402 3.475 20 0 BGADHN CCC[C@@H](C)CN(C)Cc1cnccc1C ZINC000355579051 169357619 /nfs/dbraw/zinc/35/76/19/169357619.db2.gz DHESRKAHGFNIRD-GFCCVEGCSA-N 0 3 220.360 3.258 20 0 BGADHN CCC[C@H](C)CN(C)Cc1cnccc1C ZINC000355579052 387553862 /nfs/dbraw/zinc/55/38/62/387553862.db2.gz DHESRKAHGFNIRD-LBPRGKRZSA-N 0 3 220.360 3.258 20 0 BGADHN Cc1n[nH]c(C)c1CN(C)[C@@H]1CCC(C)(C)C1 ZINC000355579435 387554974 /nfs/dbraw/zinc/55/49/74/387554974.db2.gz GVSJZTMEAFOCRK-GFCCVEGCSA-N 0 3 235.375 3.037 20 0 BGADHN Cc1n[nH]c(C)c1CN(C)[C@H]1CCC(C)(C)C1 ZINC000355579441 387553903 /nfs/dbraw/zinc/55/39/03/387553903.db2.gz GVSJZTMEAFOCRK-LBPRGKRZSA-N 0 3 235.375 3.037 20 0 BGADHN CCCn1cc(CN(C)[C@H]2CCC(C)(C)C2)cn1 ZINC000355579601 387554881 /nfs/dbraw/zinc/55/48/81/387554881.db2.gz HPLXLQSGDDGANG-AWEZNQCLSA-N 0 3 249.402 3.304 20 0 BGADHN CCCn1cc(CN(C)[C@@H]2CCC(C)(C)C2)cn1 ZINC000355579603 387554992 /nfs/dbraw/zinc/55/49/92/387554992.db2.gz HPLXLQSGDDGANG-CQSZACIVSA-N 0 3 249.402 3.304 20 0 BGADHN COc1cccc(CN(C)[C@@H]2CCC(C)(C)C2)n1 ZINC000355580552 175255691 /nfs/dbraw/zinc/25/56/91/175255691.db2.gz HDTQUPLAZNSKSM-CYBMUJFWSA-N 0 3 248.370 3.101 20 0 BGADHN COc1cccc(CN(C)[C@H]2CCC(C)(C)C2)n1 ZINC000355580560 175255871 /nfs/dbraw/zinc/25/58/71/175255871.db2.gz HDTQUPLAZNSKSM-ZDUSSCGKSA-N 0 3 248.370 3.101 20 0 BGADHN CCC(CC)CN(C)Cc1cnccc1C ZINC000355581230 168346931 /nfs/dbraw/zinc/34/69/31/168346931.db2.gz HZXWGMNIYZRVNM-UHFFFAOYSA-N 0 3 220.360 3.258 20 0 BGADHN Cc1ccc(CNCCCc2ccccc2F)o1 ZINC000355583212 387554863 /nfs/dbraw/zinc/55/48/63/387554863.db2.gz LTLFKXMIBASXTL-UHFFFAOYSA-N 0 3 247.313 3.450 20 0 BGADHN Cc1ccc([O-])c(C[N@H+](C)[C@@H]2CCC(C)(C)C2)n1 ZINC000355588996 387553836 /nfs/dbraw/zinc/55/38/36/387553836.db2.gz WQFAWKOXSMIVRS-GFCCVEGCSA-N 0 3 248.370 3.106 20 0 BGADHN Cc1ccc([O-])c(C[N@@H+](C)[C@@H]2CCC(C)(C)C2)n1 ZINC000355588996 387553831 /nfs/dbraw/zinc/55/38/31/387553831.db2.gz WQFAWKOXSMIVRS-GFCCVEGCSA-N 0 3 248.370 3.106 20 0 BGADHN Cc1ccc([O-])c(C[N@H+](C)[C@H]2CCC(C)(C)C2)n1 ZINC000355588999 387554389 /nfs/dbraw/zinc/55/43/89/387554389.db2.gz WQFAWKOXSMIVRS-LBPRGKRZSA-N 0 3 248.370 3.106 20 0 BGADHN Cc1ccc([O-])c(C[N@@H+](C)[C@H]2CCC(C)(C)C2)n1 ZINC000355588999 387554385 /nfs/dbraw/zinc/55/43/85/387554385.db2.gz WQFAWKOXSMIVRS-LBPRGKRZSA-N 0 3 248.370 3.106 20 0 BGADHN CC[N@H+](Cc1cc([O-])cc(F)c1)CC1CCC1 ZINC000355592677 356765261 /nfs/dbraw/zinc/76/52/61/356765261.db2.gz AVMSLKBCFUFWRL-UHFFFAOYSA-N 0 3 237.318 3.153 20 0 BGADHN CC[N@@H+](Cc1cc([O-])cc(F)c1)CC1CCC1 ZINC000355592677 356765254 /nfs/dbraw/zinc/76/52/54/356765254.db2.gz AVMSLKBCFUFWRL-UHFFFAOYSA-N 0 3 237.318 3.153 20 0 BGADHN CCc1ncc(CN(CC)CC2CCC2)s1 ZINC000355595487 387554094 /nfs/dbraw/zinc/55/40/94/387554094.db2.gz BFFZYOQRWILBPJ-UHFFFAOYSA-N 0 3 238.400 3.328 20 0 BGADHN CCOc1cccc(CN(CC)CC2CCC2)n1 ZINC000355597205 387555853 /nfs/dbraw/zinc/55/58/53/387555853.db2.gz DHZWEOPCAOBPHW-UHFFFAOYSA-N 0 3 248.370 3.102 20 0 BGADHN CCOc1cccc(CNC[C@@H]2CC[C@@H](C)C2)n1 ZINC000355602325 397915644 /nfs/dbraw/zinc/91/56/44/397915644.db2.gz VFSOSGUYKRYBAH-CHWSQXEVSA-N 0 3 248.370 3.006 20 0 BGADHN CCOc1cccc(CNC[C@H]2CC[C@@H](C)C2)n1 ZINC000355602326 397915826 /nfs/dbraw/zinc/91/58/26/397915826.db2.gz VFSOSGUYKRYBAH-OLZOCXBDSA-N 0 3 248.370 3.006 20 0 BGADHN CCOc1cccc(CNC[C@@H]2CC[C@H](C)C2)n1 ZINC000355602327 386522365 /nfs/dbraw/zinc/52/23/65/386522365.db2.gz VFSOSGUYKRYBAH-QWHCGFSZSA-N 0 3 248.370 3.006 20 0 BGADHN CCOc1cccc(CNC[C@H]2CC[C@H](C)C2)n1 ZINC000355602328 386524360 /nfs/dbraw/zinc/52/43/60/386524360.db2.gz VFSOSGUYKRYBAH-STQMWFEESA-N 0 3 248.370 3.006 20 0 BGADHN CCN(Cc1ccc(COC)o1)CC1CCC1 ZINC000355604733 397915240 /nfs/dbraw/zinc/91/52/40/397915240.db2.gz HTADMFQFZDPFBA-UHFFFAOYSA-N 0 3 237.343 3.048 20 0 BGADHN CCN(Cc1sccc1OC)CC1CCC1 ZINC000355606538 387556863 /nfs/dbraw/zinc/55/68/63/387556863.db2.gz LLAFOZXTUKWEKQ-UHFFFAOYSA-N 0 3 239.384 3.379 20 0 BGADHN CCN(Cc1cccc2c1OCO2)CC1CCC1 ZINC000355606703 387557368 /nfs/dbraw/zinc/55/73/68/387557368.db2.gz MONJRLQHCBOCOL-UHFFFAOYSA-N 0 3 247.338 3.037 20 0 BGADHN CCN(Cc1cc(OC)cc(C)n1)CC1CCC1 ZINC000355607052 169902532 /nfs/dbraw/zinc/90/25/32/169902532.db2.gz MHUTXBYXUOSMDU-UHFFFAOYSA-N 0 3 248.370 3.021 20 0 BGADHN CCN(Cc1c[nH]nc1C(C)(C)C)CC1CCC1 ZINC000355608711 387557131 /nfs/dbraw/zinc/55/71/31/387557131.db2.gz QTCYAUSDMFPTRQ-UHFFFAOYSA-N 0 3 249.402 3.329 20 0 BGADHN CCN(Cc1c(C)nn(CC)c1C)CC1CCC1 ZINC000355611066 387557278 /nfs/dbraw/zinc/55/72/78/387557278.db2.gz UYEBUPXIIXFVIU-UHFFFAOYSA-N 0 3 249.402 3.142 20 0 BGADHN CCN(Cc1ccccc1F)CC1CCC1 ZINC000355611196 356766388 /nfs/dbraw/zinc/76/63/88/356766388.db2.gz SOPQXFNRTTYRDO-UHFFFAOYSA-N 0 3 221.319 3.448 20 0 BGADHN CCN(Cc1cnn(CC(C)C)c1)CC1CCC1 ZINC000355611845 356766830 /nfs/dbraw/zinc/76/68/30/356766830.db2.gz SVZBATBVIVKKDD-UHFFFAOYSA-N 0 3 249.402 3.161 20 0 BGADHN CCN(Cc1cnn(C(C)C)c1)CC1CCC1 ZINC000355612825 356766627 /nfs/dbraw/zinc/76/66/27/356766627.db2.gz WZMAWXPSZZJWHE-UHFFFAOYSA-N 0 3 235.375 3.086 20 0 BGADHN CCN(Cc1cccc(O)c1OC)CC1CCC1 ZINC000355613750 356766574 /nfs/dbraw/zinc/76/65/74/356766574.db2.gz YLHAUIQAJCZDSI-UHFFFAOYSA-N 0 3 249.354 3.023 20 0 BGADHN CCN(Cc1nc2ccccc2[nH]1)CC1CCC1 ZINC000355613951 356766741 /nfs/dbraw/zinc/76/67/41/356766741.db2.gz WDQGVPPJMVPWNC-UHFFFAOYSA-N 0 3 243.354 3.185 20 0 BGADHN CCN(Cc1cnn(C(C)(C)C)c1)CC1CCC1 ZINC000355615655 356766783 /nfs/dbraw/zinc/76/67/83/356766783.db2.gz YCJBIOGBJPULTQ-UHFFFAOYSA-N 0 3 249.402 3.260 20 0 BGADHN CCn1cc(CN2CCC[C@H](C(C)(C)C)C2)cn1 ZINC000355647513 172165736 /nfs/dbraw/zinc/16/57/36/172165736.db2.gz HHZUXOCRJFEAGK-AWEZNQCLSA-N 0 3 249.402 3.161 20 0 BGADHN CCn1cc(CN2CCC[C@@H](C(C)(C)C)C2)cn1 ZINC000355647514 172162873 /nfs/dbraw/zinc/16/28/73/172162873.db2.gz HHZUXOCRJFEAGK-CQSZACIVSA-N 0 3 249.402 3.161 20 0 BGADHN CC(C)(C)[C@@H]1CCCN(Cc2cncs2)C1 ZINC000355648887 187323588 /nfs/dbraw/zinc/32/35/88/187323588.db2.gz JZIHHJSSFYQWKX-LLVKDONJSA-N 0 3 238.400 3.401 20 0 BGADHN CC(C)(C)[C@H]1CCCN(Cc2cncs2)C1 ZINC000355648891 386597551 /nfs/dbraw/zinc/59/75/51/386597551.db2.gz JZIHHJSSFYQWKX-NSHDSACASA-N 0 3 238.400 3.401 20 0 BGADHN CCn1ccnc1CN1CCC[C@@H](C(C)(C)C)C1 ZINC000355650443 172219439 /nfs/dbraw/zinc/21/94/39/172219439.db2.gz AULCCEQVLZNDKM-CYBMUJFWSA-N 0 3 249.402 3.161 20 0 BGADHN CCn1ccnc1CN1CCC[C@H](C(C)(C)C)C1 ZINC000355650444 172218850 /nfs/dbraw/zinc/21/88/50/172218850.db2.gz AULCCEQVLZNDKM-ZDUSSCGKSA-N 0 3 249.402 3.161 20 0 BGADHN CCn1nccc1CN1CCC[C@@H](C(C)(C)C)C1 ZINC000355651253 172267757 /nfs/dbraw/zinc/26/77/57/172267757.db2.gz CFVHWTXOTHBSQU-CYBMUJFWSA-N 0 3 249.402 3.161 20 0 BGADHN CCn1nccc1CN1CCC[C@H](C(C)(C)C)C1 ZINC000355651255 172266297 /nfs/dbraw/zinc/26/62/97/172266297.db2.gz CFVHWTXOTHBSQU-ZDUSSCGKSA-N 0 3 249.402 3.161 20 0 BGADHN Cc1cnc(CN2CCC[C@@H](C(C)(C)C)C2)cn1 ZINC000355658505 386610843 /nfs/dbraw/zinc/61/08/43/386610843.db2.gz XQNTUFLDNZUDGK-CYBMUJFWSA-N 0 3 247.386 3.043 20 0 BGADHN Cc1cnc(CN2CCC[C@H](C(C)(C)C)C2)cn1 ZINC000355658506 386610187 /nfs/dbraw/zinc/61/01/87/386610187.db2.gz XQNTUFLDNZUDGK-ZDUSSCGKSA-N 0 3 247.386 3.043 20 0 BGADHN CC(C)(C)[C@@H]1CCCN(Cc2nccs2)C1 ZINC000355662749 387564713 /nfs/dbraw/zinc/56/47/13/387564713.db2.gz SUXHZDNHCAGYAS-LLVKDONJSA-N 0 3 238.400 3.401 20 0 BGADHN CC(C)(C)[C@H]1CCCN(Cc2nccs2)C1 ZINC000355662751 188063775 /nfs/dbraw/zinc/06/37/75/188063775.db2.gz SUXHZDNHCAGYAS-NSHDSACASA-N 0 3 238.400 3.401 20 0 BGADHN C=Cn1cc(CN2CCC[C@H](C(C)(C)C)C2)cn1 ZINC000355668466 387565347 /nfs/dbraw/zinc/56/53/47/387565347.db2.gz ZJOYWIBUWTZDAU-AWEZNQCLSA-N 0 3 247.386 3.242 20 0 BGADHN C=Cn1cc(CN2CCC[C@@H](C(C)(C)C)C2)cn1 ZINC000355668468 387564942 /nfs/dbraw/zinc/56/49/42/387564942.db2.gz ZJOYWIBUWTZDAU-CQSZACIVSA-N 0 3 247.386 3.242 20 0 BGADHN CC(C)n1cc(CN(CC2CC2)C2CCC2)cn1 ZINC000355674994 387566377 /nfs/dbraw/zinc/56/63/77/387566377.db2.gz FCKDRUXKEOOHBR-UHFFFAOYSA-N 0 3 247.386 3.229 20 0 BGADHN [O-]c1cc(F)cc(C[N@@H+](CC2CC2)C2CCC2)c1 ZINC000355683669 183257863 /nfs/dbraw/zinc/25/78/63/183257863.db2.gz SNCQMSBYRWDCLJ-UHFFFAOYSA-N 0 3 249.329 3.296 20 0 BGADHN [O-]c1cc(F)cc(C[N@H+](CC2CC2)C2CCC2)c1 ZINC000355683669 183257860 /nfs/dbraw/zinc/25/78/60/183257860.db2.gz SNCQMSBYRWDCLJ-UHFFFAOYSA-N 0 3 249.329 3.296 20 0 BGADHN CC1(C)CC(NCc2cocn2)CC(C)(C)C1 ZINC000355684151 388547288 /nfs/dbraw/zinc/54/72/88/388547288.db2.gz PXDXJSJIHPGNHD-UHFFFAOYSA-N 0 3 236.359 3.369 20 0 BGADHN Cc1noc(C)c1CN(CC1CC1)C1CCC1 ZINC000355684499 397916563 /nfs/dbraw/zinc/91/65/63/397916563.db2.gz VMQFVDXJJCZVFH-UHFFFAOYSA-N 0 3 234.343 3.056 20 0 BGADHN Cc1cc(CNCC2(C)CCCCCC2)no1 ZINC000355684687 178021454 /nfs/dbraw/zinc/02/14/54/178021454.db2.gz RDADCZOBYABXGD-UHFFFAOYSA-N 0 3 236.359 3.433 20 0 BGADHN Cc1occc1CN(C)[C@H](C)CC(C)C ZINC000355693473 397918093 /nfs/dbraw/zinc/91/80/93/397918093.db2.gz XXVVWBQJDVOINC-LLVKDONJSA-N 0 3 209.333 3.454 20 0 BGADHN Cc1occc1CN(C)[C@@H](C)CC(C)C ZINC000355693474 397918146 /nfs/dbraw/zinc/91/81/46/397918146.db2.gz XXVVWBQJDVOINC-NSHDSACASA-N 0 3 209.333 3.454 20 0 BGADHN CCCn1cc(CN(CC2CC2)C2CCC2)cn1 ZINC000355721991 387571718 /nfs/dbraw/zinc/57/17/18/387571718.db2.gz AHLXWMKBQITGHQ-UHFFFAOYSA-N 0 3 247.386 3.058 20 0 BGADHN c1csc(CN(CC2CC2)CC2CCC2)n1 ZINC000355722876 387571839 /nfs/dbraw/zinc/57/18/39/387571839.db2.gz BESJUPZSJNITEN-UHFFFAOYSA-N 0 3 236.384 3.155 20 0 BGADHN C[C@@H]1CCCC[C@H]1CN1CCC[C@@H]1c1ncc[nH]1 ZINC000355727915 176084837 /nfs/dbraw/zinc/08/48/37/176084837.db2.gz CZVLEQKLZGNMSS-HZSPNIEDSA-N 0 3 247.386 3.373 20 0 BGADHN C[C@@H]1CCCC[C@@H]1CN1CCC[C@H]1c1ncc[nH]1 ZINC000355727916 176075731 /nfs/dbraw/zinc/07/57/31/176075731.db2.gz CZVLEQKLZGNMSS-MCIONIFRSA-N 0 3 247.386 3.373 20 0 BGADHN c1ncc(CN(CC2CC2)CC2CCC2)s1 ZINC000355728668 387572782 /nfs/dbraw/zinc/57/27/82/387572782.db2.gz KTQDJYLCJWBFLF-UHFFFAOYSA-N 0 3 236.384 3.155 20 0 BGADHN C[C@@H]1CCCC[C@@H]1CN1CCC[C@@H]1c1ncc[nH]1 ZINC000355728858 176075446 /nfs/dbraw/zinc/07/54/46/176075446.db2.gz CZVLEQKLZGNMSS-MGPQQGTHSA-N 0 3 247.386 3.373 20 0 BGADHN C[C@@H]1CCCC[C@H]1CN1CCC[C@H]1c1ncc[nH]1 ZINC000355728859 176084699 /nfs/dbraw/zinc/08/46/99/176084699.db2.gz CZVLEQKLZGNMSS-RDBSUJKOSA-N 0 3 247.386 3.373 20 0 BGADHN Cc1csc(CN(CC2CC2)C2CCC2)n1 ZINC000355734232 387574142 /nfs/dbraw/zinc/57/41/42/387574142.db2.gz QYIVUURHCJVHAR-UHFFFAOYSA-N 0 3 236.384 3.216 20 0 BGADHN COCc1ccc(CN(CC2CC2)C2CCC2)o1 ZINC000355735295 387573727 /nfs/dbraw/zinc/57/37/27/387573727.db2.gz SFXZZGVXAVSXPH-UHFFFAOYSA-N 0 3 249.354 3.191 20 0 BGADHN c1nc(CN(CC2CC2)CC2CCC2)cs1 ZINC000355737867 387574948 /nfs/dbraw/zinc/57/49/48/387574948.db2.gz VNSCKUONWNCQLZ-UHFFFAOYSA-N 0 3 236.384 3.155 20 0 BGADHN Cc1ncc(CN(CC2CC2)C2CCC2)s1 ZINC000355737984 180141331 /nfs/dbraw/zinc/14/13/31/180141331.db2.gz WLLOZTNTVPMQPV-UHFFFAOYSA-N 0 3 236.384 3.216 20 0 BGADHN C[C@@H]1C[C@H](C)[C@@H](C)N(Cc2ccc(F)cn2)C1 ZINC000355739629 177315250 /nfs/dbraw/zinc/31/52/50/177315250.db2.gz IRCXBHIKSISSPD-GRYCIOLGSA-N 0 3 236.334 3.087 20 0 BGADHN C[C@@H]1C[C@@H](C)[C@@H](C)N(Cc2ccc(F)cn2)C1 ZINC000355739630 176365729 /nfs/dbraw/zinc/36/57/29/176365729.db2.gz IRCXBHIKSISSPD-IJLUTSLNSA-N 0 3 236.334 3.087 20 0 BGADHN C[C@@H]1C[C@@H](C)[C@H](C)N(Cc2ccc(F)cn2)C1 ZINC000355739632 387575552 /nfs/dbraw/zinc/57/55/52/387575552.db2.gz IRCXBHIKSISSPD-UTUOFQBUSA-N 0 3 236.334 3.087 20 0 BGADHN C[C@@H]1C[C@H](C)[C@H](C)N(Cc2ccc(F)cn2)C1 ZINC000355739634 177315775 /nfs/dbraw/zinc/31/57/75/177315775.db2.gz IRCXBHIKSISSPD-WOPDTQHZSA-N 0 3 236.334 3.087 20 0 BGADHN Cc1cnc(CN2C[C@H](C)C[C@@H](C)[C@H]2C)s1 ZINC000355781367 397921320 /nfs/dbraw/zinc/92/13/20/397921320.db2.gz BXUURBWIAOHLDZ-CKYFFXLPSA-N 0 3 238.400 3.318 20 0 BGADHN Cc1cnc(CN2C[C@H](C)C[C@@H](C)[C@@H]2C)s1 ZINC000355781371 397921258 /nfs/dbraw/zinc/92/12/58/397921258.db2.gz BXUURBWIAOHLDZ-FOGDFJRCSA-N 0 3 238.400 3.318 20 0 BGADHN Cc1cnc(CN2C[C@H](C)C[C@H](C)[C@H]2C)s1 ZINC000355781373 397921355 /nfs/dbraw/zinc/92/13/55/397921355.db2.gz BXUURBWIAOHLDZ-JFGNBEQYSA-N 0 3 238.400 3.318 20 0 BGADHN Cc1cnc(CN2C[C@H](C)C[C@H](C)[C@@H]2C)s1 ZINC000355781376 397920686 /nfs/dbraw/zinc/92/06/86/397920686.db2.gz BXUURBWIAOHLDZ-SCVCMEIPSA-N 0 3 238.400 3.318 20 0 BGADHN C[C@H](CN(C)Cc1ccc[nH]1)c1ccccc1 ZINC000355785167 385721965 /nfs/dbraw/zinc/72/19/65/385721965.db2.gz PXOSKPXVPUVDBT-CYBMUJFWSA-N 0 3 228.339 3.250 20 0 BGADHN C[C@@H](CN(C)Cc1ccc[nH]1)c1ccccc1 ZINC000355785168 385721834 /nfs/dbraw/zinc/72/18/34/385721834.db2.gz PXOSKPXVPUVDBT-ZDUSSCGKSA-N 0 3 228.339 3.250 20 0 BGADHN FC(F)(F)CCN1CC[C@@H]1Cc1ccccc1 ZINC000355876362 387587810 /nfs/dbraw/zinc/58/78/10/387587810.db2.gz ACEKMYYEUWGTGK-GFCCVEGCSA-N 0 3 243.272 3.256 20 0 BGADHN FC(F)(F)CCN1CC[C@H]1Cc1ccccc1 ZINC000355876363 387587726 /nfs/dbraw/zinc/58/77/26/387587726.db2.gz ACEKMYYEUWGTGK-LBPRGKRZSA-N 0 3 243.272 3.256 20 0 BGADHN CC(C)[C@H]1CN(CCC(F)(F)F)CCS1 ZINC000355877599 387588200 /nfs/dbraw/zinc/58/82/00/387588200.db2.gz FPPFFUARHKUVSP-SECBINFHSA-N 0 3 241.322 3.012 20 0 BGADHN CC(C)[C@@H]1CN(CCC(F)(F)F)CCS1 ZINC000355877613 188064829 /nfs/dbraw/zinc/06/48/29/188064829.db2.gz FPPFFUARHKUVSP-VIFPVBQESA-N 0 3 241.322 3.012 20 0 BGADHN CC[C@@H]1CCCN(CCC(F)(F)F)C1 ZINC000355877930 356780108 /nfs/dbraw/zinc/78/01/08/356780108.db2.gz GCFDFRRNAYHECM-SECBINFHSA-N 0 3 209.255 3.061 20 0 BGADHN CC[C@H]1CCCN(CCC(F)(F)F)C1 ZINC000355877931 387587881 /nfs/dbraw/zinc/58/78/81/387587881.db2.gz GCFDFRRNAYHECM-VIFPVBQESA-N 0 3 209.255 3.061 20 0 BGADHN Fc1ccc(C2(NCCC(F)(F)F)CC2)cc1 ZINC000355877935 387588485 /nfs/dbraw/zinc/58/84/85/387588485.db2.gz GCSXIABKYBOCBV-UHFFFAOYSA-N 0 3 247.235 3.357 20 0 BGADHN C[C@@H](N(C)CCC(F)(F)F)C1(C)CC1 ZINC000355878629 387588458 /nfs/dbraw/zinc/58/84/58/387588458.db2.gz HSHWHVOVZKYDJM-MRVPVSSYSA-N 0 3 209.255 3.059 20 0 BGADHN C[C@H](N(C)CCC(F)(F)F)C1(C)CC1 ZINC000355878630 387587972 /nfs/dbraw/zinc/58/79/72/387587972.db2.gz HSHWHVOVZKYDJM-QMMMGPOBSA-N 0 3 209.255 3.059 20 0 BGADHN CC1(C)CCCN(CCC(F)(F)F)C1 ZINC000355878710 387589556 /nfs/dbraw/zinc/58/95/56/387589556.db2.gz JCGOANMQLHWQLP-UHFFFAOYSA-N 0 3 209.255 3.061 20 0 BGADHN CCSCC[C@@H](C)N(C)CCC(F)(F)F ZINC000355879671 387589753 /nfs/dbraw/zinc/58/97/53/387589753.db2.gz LYFUIMOCSVZVDO-SECBINFHSA-N 0 3 243.338 3.402 20 0 BGADHN CCSCC[C@H](C)N(C)CCC(F)(F)F ZINC000355879672 387589402 /nfs/dbraw/zinc/58/94/02/387589402.db2.gz LYFUIMOCSVZVDO-VIFPVBQESA-N 0 3 243.338 3.402 20 0 BGADHN C[C@H](C1CC1)N(CCC(F)(F)F)C1CC1 ZINC000355882020 387589899 /nfs/dbraw/zinc/58/98/99/387589899.db2.gz RMIAIEMRBNUJOS-MRVPVSSYSA-N 0 3 221.266 3.202 20 0 BGADHN C[C@@H](C1CC1)N(CCC(F)(F)F)C1CC1 ZINC000355882033 387589019 /nfs/dbraw/zinc/58/90/19/387589019.db2.gz RMIAIEMRBNUJOS-QMMMGPOBSA-N 0 3 221.266 3.202 20 0 BGADHN CCCCN(CCC(F)(F)F)C1CC1 ZINC000355884210 387589853 /nfs/dbraw/zinc/58/98/53/387589853.db2.gz VXFLAJVCBVRAQL-UHFFFAOYSA-N 0 3 209.255 3.203 20 0 BGADHN CCC1(C)CCN(CCC(F)(F)F)CC1 ZINC000355891781 387590539 /nfs/dbraw/zinc/59/05/39/387590539.db2.gz OHPYAXJXXIONEP-UHFFFAOYSA-N 0 3 223.282 3.451 20 0 BGADHN CSCC[C@@H](C)N(C)CCC(F)(F)F ZINC000355893696 387591273 /nfs/dbraw/zinc/59/12/73/387591273.db2.gz RXDYSUHPKLADKI-MRVPVSSYSA-N 0 3 229.311 3.012 20 0 BGADHN CSCC[C@H](C)N(C)CCC(F)(F)F ZINC000355893704 387591505 /nfs/dbraw/zinc/59/15/05/387591505.db2.gz RXDYSUHPKLADKI-QMMMGPOBSA-N 0 3 229.311 3.012 20 0 BGADHN CC[C@]1(C)CCN(CCC(F)(F)F)C1 ZINC000355896451 387589067 /nfs/dbraw/zinc/58/90/67/387589067.db2.gz YNDLSHFJBCECOJ-SECBINFHSA-N 0 3 209.255 3.061 20 0 BGADHN CC[C@@]1(C)CCN(CCC(F)(F)F)C1 ZINC000355896452 171200649 /nfs/dbraw/zinc/20/06/49/171200649.db2.gz YNDLSHFJBCECOJ-VIFPVBQESA-N 0 3 209.255 3.061 20 0 BGADHN Cc1cccc(CN(C)[C@H](C)CC(C)C)n1 ZINC000355904403 179069598 /nfs/dbraw/zinc/06/95/98/179069598.db2.gz DZMOVABTZBGZCV-CYBMUJFWSA-N 0 3 220.360 3.256 20 0 BGADHN Cc1cccc(CN(C)[C@@H](C)CC(C)C)n1 ZINC000355904404 179069739 /nfs/dbraw/zinc/06/97/39/179069739.db2.gz DZMOVABTZBGZCV-ZDUSSCGKSA-N 0 3 220.360 3.256 20 0 BGADHN CCCOc1ccc2c(c1)CCN(C(C)C)C2 ZINC000355905129 169323585 /nfs/dbraw/zinc/32/35/85/169323585.db2.gz FPKKDLBQKRIMCK-UHFFFAOYSA-N 0 3 233.355 3.242 20 0 BGADHN FC(F)(F)CCN(C1CCC1)C1CCC1 ZINC000355919059 387594881 /nfs/dbraw/zinc/59/48/81/387594881.db2.gz WQAPXCQIMHYWED-UHFFFAOYSA-N 0 3 221.266 3.346 20 0 BGADHN CN(C)CCSCc1cccc(C(F)F)c1 ZINC000356043253 387609655 /nfs/dbraw/zinc/60/96/55/387609655.db2.gz OKJLANYXBVQPDX-UHFFFAOYSA-N 0 3 245.338 3.419 20 0 BGADHN CCN(CC)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000356048268 535599420 /nfs/dbraw/zinc/59/94/20/535599420.db2.gz BTVXLJDAIMYNJZ-UHFFFAOYSA-N 0 3 247.260 3.253 20 0 BGADHN Cc1c[nH]nc1CN(CC1CCCCC1)C1CC1 ZINC000356053610 387611301 /nfs/dbraw/zinc/61/13/01/387611301.db2.gz ALARONZJVWHTEY-UHFFFAOYSA-N 0 3 247.386 3.263 20 0 BGADHN CSc1ccc(CN(C)CC2CC2)s1 ZINC000356053725 387612534 /nfs/dbraw/zinc/61/25/34/387612534.db2.gz AVMFGNJPOXZFPT-UHFFFAOYSA-N 0 3 227.398 3.312 20 0 BGADHN Cc1c[nH]nc1CN(C1CC1)C1CCC(C)CC1 ZINC000356053773 387612039 /nfs/dbraw/zinc/61/20/39/387612039.db2.gz BBDYNANQZHXQGF-UHFFFAOYSA-N 0 3 247.386 3.261 20 0 BGADHN CC(C)N(C)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000356054901 385948197 /nfs/dbraw/zinc/94/81/97/385948197.db2.gz BVFBENNREIWRKO-UHFFFAOYSA-N 0 3 247.260 3.251 20 0 BGADHN c1nc(CNC2CCC2)sc1-c1ccccc1 ZINC000356056012 183380866 /nfs/dbraw/zinc/38/08/66/183380866.db2.gz GEVUAFQOBQNXIK-UHFFFAOYSA-N 0 3 244.363 3.452 20 0 BGADHN Cc1c[nH]nc1CN1CCC[C@@H]1CC(C)(C)C ZINC000356058951 387612446 /nfs/dbraw/zinc/61/24/46/387612446.db2.gz GTLOPTXXNYIRLB-GFCCVEGCSA-N 0 3 235.375 3.119 20 0 BGADHN Cc1c[nH]nc1CN1CCC[C@H]1CC(C)(C)C ZINC000356058953 387612606 /nfs/dbraw/zinc/61/26/06/387612606.db2.gz GTLOPTXXNYIRLB-LBPRGKRZSA-N 0 3 235.375 3.119 20 0 BGADHN Cc1c[nH]nc1CN(C(C)C)C1CCCCC1 ZINC000356059984 387611921 /nfs/dbraw/zinc/61/19/21/387611921.db2.gz IKTJRCGTMXBZCM-UHFFFAOYSA-N 0 3 235.375 3.261 20 0 BGADHN Fc1ccc(CCN2CCCC2)c(Cl)c1 ZINC000356061052 356787005 /nfs/dbraw/zinc/78/70/05/356787005.db2.gz JBYNQEVQTJEZKN-UHFFFAOYSA-N 0 3 227.710 3.117 20 0 BGADHN CCN(Cc1ccc(SC)s1)C1CC1 ZINC000356061898 356787425 /nfs/dbraw/zinc/78/74/25/356787425.db2.gz UGIAIUFJMNUBIX-UHFFFAOYSA-N 0 3 227.398 3.454 20 0 BGADHN Cc1cn[nH]c1CN(Cc1ccccc1)C(C)C ZINC000356062157 356787545 /nfs/dbraw/zinc/78/75/45/356787545.db2.gz KKDAEEOEJMEJNL-UHFFFAOYSA-N 0 3 243.354 3.129 20 0 BGADHN CCCCCN(Cc1n[nH]cc1C)C(C)C ZINC000356064153 356787571 /nfs/dbraw/zinc/78/75/71/356787571.db2.gz MRBVQXNMDAGKSY-UHFFFAOYSA-N 0 3 223.364 3.119 20 0 BGADHN CSC1(CN(C)CCC(F)(F)F)CCC1 ZINC000356069362 387612082 /nfs/dbraw/zinc/61/20/82/387612082.db2.gz VASJZVGLBFRTHP-UHFFFAOYSA-N 0 3 241.322 3.156 20 0 BGADHN CSc1ccc(CN2CC[C@@H](C)C2)s1 ZINC000356069955 387612155 /nfs/dbraw/zinc/61/21/55/387612155.db2.gz XJUUUDXRJRGRLA-SECBINFHSA-N 0 3 227.398 3.312 20 0 BGADHN CSc1ccc(CN2CC[C@H](C)C2)s1 ZINC000356069956 387611278 /nfs/dbraw/zinc/61/12/78/387611278.db2.gz XJUUUDXRJRGRLA-VIFPVBQESA-N 0 3 227.398 3.312 20 0 BGADHN Cc1c[nH]nc1CN(CC(C)C)C1CCCC1 ZINC000356081082 387614111 /nfs/dbraw/zinc/61/41/11/387614111.db2.gz FIHUQCRAKJSLBT-UHFFFAOYSA-N 0 3 235.375 3.119 20 0 BGADHN CCCN(C)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000356088279 169079990 /nfs/dbraw/zinc/07/99/90/169079990.db2.gz OHGPPIJVVSEDJZ-UHFFFAOYSA-N 0 3 247.260 3.253 20 0 BGADHN CC1=C[C@H](C)C[C@H](CN2C[C@H](C)OC[C@H]2C)C1 ZINC000356094327 168130551 /nfs/dbraw/zinc/13/05/51/168130551.db2.gz WNOBPPVPFQXHMS-ATGSNQNLSA-N 0 3 237.387 3.088 20 0 BGADHN CC1=C[C@H](C)C[C@H](CN2C[C@@H](C)OC[C@@H]2C)C1 ZINC000356094328 168130904 /nfs/dbraw/zinc/13/09/04/168130904.db2.gz WNOBPPVPFQXHMS-MHEUCROKSA-N 0 3 237.387 3.088 20 0 BGADHN CC1=C[C@H](C)C[C@H](CN2C[C@H](C)OC[C@@H]2C)C1 ZINC000356094329 168130624 /nfs/dbraw/zinc/13/06/24/168130624.db2.gz WNOBPPVPFQXHMS-MXAVVETBSA-N 0 3 237.387 3.088 20 0 BGADHN CC1=C[C@H](C)C[C@H](CN2C[C@@H](C)OC[C@H]2C)C1 ZINC000356094330 168130911 /nfs/dbraw/zinc/13/09/11/168130911.db2.gz WNOBPPVPFQXHMS-MYPMTAMASA-N 0 3 237.387 3.088 20 0 BGADHN Cc1cn[nH]c1CN(Cc1cccs1)C(C)C ZINC000356096132 387615622 /nfs/dbraw/zinc/61/56/22/387615622.db2.gz YLGBWCLOLGRTHO-UHFFFAOYSA-N 0 3 249.383 3.190 20 0 BGADHN CCC1CCC(N(C)Cc2n[nH]cc2C)CC1 ZINC000356097188 387616703 /nfs/dbraw/zinc/61/67/03/387616703.db2.gz ZUCATLXHDHCFJP-UHFFFAOYSA-N 0 3 235.375 3.119 20 0 BGADHN CCN(C)Cc1cscc1C(F)(F)F ZINC000356103121 387616489 /nfs/dbraw/zinc/61/64/89/387616489.db2.gz SJURAHFKQXXFMV-UHFFFAOYSA-N 0 3 223.263 3.219 20 0 BGADHN CCC[C@@]1(C)CCCN(Cc2n[nH]cc2C)C1 ZINC000356107278 397927421 /nfs/dbraw/zinc/92/74/21/397927421.db2.gz CIOVYLFWFAHTRH-AWEZNQCLSA-N 0 3 235.375 3.120 20 0 BGADHN CCC[C@]1(C)CCCN(Cc2n[nH]cc2C)C1 ZINC000356107279 397927017 /nfs/dbraw/zinc/92/70/17/397927017.db2.gz CIOVYLFWFAHTRH-CQSZACIVSA-N 0 3 235.375 3.120 20 0 BGADHN CCC(C)(C)[C@H]1CCCN1Cc1n[nH]cc1C ZINC000356111920 168305104 /nfs/dbraw/zinc/30/51/04/168305104.db2.gz OKLBCZOHTGLCJB-CYBMUJFWSA-N 0 3 235.375 3.119 20 0 BGADHN CCC(C)(C)[C@@H]1CCCN1Cc1n[nH]cc1C ZINC000356111921 168304510 /nfs/dbraw/zinc/30/45/10/168304510.db2.gz OKLBCZOHTGLCJB-ZDUSSCGKSA-N 0 3 235.375 3.119 20 0 BGADHN CSc1ccc(CN2CCCCC2)s1 ZINC000356120016 387618961 /nfs/dbraw/zinc/61/89/61/387618961.db2.gz CZATVBZOGOMMFN-UHFFFAOYSA-N 0 3 227.398 3.456 20 0 BGADHN CCC[C@@H](C)[C@H]1CCCN1Cc1n[nH]cc1C ZINC000356121131 169373971 /nfs/dbraw/zinc/37/39/71/169373971.db2.gz JADAVKXZPVSJPW-BXUZGUMPSA-N 0 3 235.375 3.119 20 0 BGADHN CCC[C@H](C)[C@@H]1CCCN1Cc1n[nH]cc1C ZINC000356121132 387619886 /nfs/dbraw/zinc/61/98/86/387619886.db2.gz JADAVKXZPVSJPW-FZMZJTMJSA-N 0 3 235.375 3.119 20 0 BGADHN CCC[C@@H](C)[C@@H]1CCCN1Cc1n[nH]cc1C ZINC000356121133 169373143 /nfs/dbraw/zinc/37/31/43/169373143.db2.gz JADAVKXZPVSJPW-RISCZKNCSA-N 0 3 235.375 3.119 20 0 BGADHN CCC[C@H](C)[C@H]1CCCN1Cc1n[nH]cc1C ZINC000356121135 387618446 /nfs/dbraw/zinc/61/84/46/387618446.db2.gz JADAVKXZPVSJPW-SMDDNHRTSA-N 0 3 235.375 3.119 20 0 BGADHN CC1=C[C@H](C)C[C@H](CN2CCO[C@@H](C)[C@H]2C)C1 ZINC000356121735 168128983 /nfs/dbraw/zinc/12/89/83/168128983.db2.gz KGPZCJOMWGRYSZ-ATGSNQNLSA-N 0 3 237.387 3.088 20 0 BGADHN CC1=C[C@H](C)C[C@H](CN2CCO[C@H](C)[C@@H]2C)C1 ZINC000356121736 168129232 /nfs/dbraw/zinc/12/92/32/168129232.db2.gz KGPZCJOMWGRYSZ-MHEUCROKSA-N 0 3 237.387 3.088 20 0 BGADHN CC1=C[C@H](C)C[C@H](CN2CCO[C@@H](C)[C@@H]2C)C1 ZINC000356121738 168130065 /nfs/dbraw/zinc/13/00/65/168130065.db2.gz KGPZCJOMWGRYSZ-MXAVVETBSA-N 0 3 237.387 3.088 20 0 BGADHN CC1=C[C@H](C)C[C@H](CN2CCO[C@H](C)[C@H]2C)C1 ZINC000356121739 168129919 /nfs/dbraw/zinc/12/99/19/168129919.db2.gz KGPZCJOMWGRYSZ-MYPMTAMASA-N 0 3 237.387 3.088 20 0 BGADHN CC[C@@H](C)[C@H]1CCCCN1Cc1n[nH]cc1C ZINC000356125335 387618153 /nfs/dbraw/zinc/61/81/53/387618153.db2.gz RLMDLGFQXXVONO-BXUZGUMPSA-N 0 3 235.375 3.119 20 0 BGADHN CC[C@H](C)[C@@H]1CCCCN1Cc1n[nH]cc1C ZINC000356125337 171382041 /nfs/dbraw/zinc/38/20/41/171382041.db2.gz RLMDLGFQXXVONO-FZMZJTMJSA-N 0 3 235.375 3.119 20 0 BGADHN CC[C@@H](C)[C@@H]1CCCCN1Cc1n[nH]cc1C ZINC000356125339 386029852 /nfs/dbraw/zinc/02/98/52/386029852.db2.gz RLMDLGFQXXVONO-RISCZKNCSA-N 0 3 235.375 3.119 20 0 BGADHN CC[C@H](C)[C@H]1CCCCN1Cc1n[nH]cc1C ZINC000356125344 386029926 /nfs/dbraw/zinc/02/99/26/386029926.db2.gz RLMDLGFQXXVONO-SMDDNHRTSA-N 0 3 235.375 3.119 20 0 BGADHN CCC[C@@H]1[C@H](C)CCCN1Cc1n[nH]cc1C ZINC000356125387 387618858 /nfs/dbraw/zinc/61/88/58/387618858.db2.gz ROPNSZMVUDQNBD-BXUZGUMPSA-N 0 3 235.375 3.119 20 0 BGADHN CCC[C@H]1[C@@H](C)CCCN1Cc1n[nH]cc1C ZINC000356125390 387619059 /nfs/dbraw/zinc/61/90/59/387619059.db2.gz ROPNSZMVUDQNBD-FZMZJTMJSA-N 0 3 235.375 3.119 20 0 BGADHN CCC[C@H]1[C@H](C)CCCN1Cc1n[nH]cc1C ZINC000356125392 387619465 /nfs/dbraw/zinc/61/94/65/387619465.db2.gz ROPNSZMVUDQNBD-RISCZKNCSA-N 0 3 235.375 3.119 20 0 BGADHN CCC[C@@H]1[C@@H](C)CCCN1Cc1n[nH]cc1C ZINC000356125395 387618832 /nfs/dbraw/zinc/61/88/32/387618832.db2.gz ROPNSZMVUDQNBD-SMDDNHRTSA-N 0 3 235.375 3.119 20 0 BGADHN Cc1c[nH]nc1CN1CCC[C@@H]1CCC(C)C ZINC000356126982 387619821 /nfs/dbraw/zinc/61/98/21/387619821.db2.gz VZIVJJHRBIFRQZ-CYBMUJFWSA-N 0 3 235.375 3.119 20 0 BGADHN Cc1c[nH]nc1CN1CCC[C@H]1CCC(C)C ZINC000356126983 387619272 /nfs/dbraw/zinc/61/92/72/387619272.db2.gz VZIVJJHRBIFRQZ-ZDUSSCGKSA-N 0 3 235.375 3.119 20 0 BGADHN Cc1c[nH]nc1CN(C)C1CCC(C)(C)CC1 ZINC000356129827 387619129 /nfs/dbraw/zinc/61/91/29/387619129.db2.gz CMJUTKQOQNNNRT-UHFFFAOYSA-N 0 3 235.375 3.119 20 0 BGADHN Cc1c[nH]nc1CN1CCCC[C@@H]1CC(C)C ZINC000356130099 387617693 /nfs/dbraw/zinc/61/76/93/387617693.db2.gz DCZNMDKRPLWUBK-CYBMUJFWSA-N 0 3 235.375 3.119 20 0 BGADHN Cc1c[nH]nc1CN1CCCC[C@H]1CC(C)C ZINC000356130101 387618619 /nfs/dbraw/zinc/61/86/19/387618619.db2.gz DCZNMDKRPLWUBK-ZDUSSCGKSA-N 0 3 235.375 3.119 20 0 BGADHN CSc1ccc(CN(C)C2CCC2)s1 ZINC000356130240 387618948 /nfs/dbraw/zinc/61/89/48/387618948.db2.gz SKTXDLAZACXWTC-UHFFFAOYSA-N 0 3 227.398 3.454 20 0 BGADHN Cc1c[nH]nc1CN1CCC[C@@H](C(C)(C)C)CC1 ZINC000356140429 387621636 /nfs/dbraw/zinc/62/16/36/387621636.db2.gz UUEMBMQJLJONQT-CYBMUJFWSA-N 0 3 249.402 3.366 20 0 BGADHN Cc1c[nH]nc1CN1CCC[C@H](C(C)(C)C)CC1 ZINC000356140430 387621302 /nfs/dbraw/zinc/62/13/02/387621302.db2.gz UUEMBMQJLJONQT-ZDUSSCGKSA-N 0 3 249.402 3.366 20 0 BGADHN CC[C@H](C)[C@@H](C)N(Cc1n[nH]cc1C)C1CC1 ZINC000356224677 171361595 /nfs/dbraw/zinc/36/15/95/171361595.db2.gz TXGREQYLNXACTA-CMPLNLGQSA-N 0 3 235.375 3.117 20 0 BGADHN CC[C@H](C)[C@H](C)N(Cc1n[nH]cc1C)C1CC1 ZINC000356224682 171385808 /nfs/dbraw/zinc/38/58/08/171385808.db2.gz TXGREQYLNXACTA-JQWIXIFHSA-N 0 3 235.375 3.117 20 0 BGADHN CC[C@@H](C)[C@H](C)N(Cc1n[nH]cc1C)C1CC1 ZINC000356224696 387629734 /nfs/dbraw/zinc/62/97/34/387629734.db2.gz TXGREQYLNXACTA-PWSUYJOCSA-N 0 3 235.375 3.117 20 0 BGADHN CC[C@@H](C)[C@@H](C)N(Cc1n[nH]cc1C)C1CC1 ZINC000356224699 387629648 /nfs/dbraw/zinc/62/96/48/387629648.db2.gz TXGREQYLNXACTA-ZYHUDNBSSA-N 0 3 235.375 3.117 20 0 BGADHN CSc1ccc(CN2CCC[C@H]2C)s1 ZINC000356233747 187376233 /nfs/dbraw/zinc/37/62/33/187376233.db2.gz SBXGEXQFJCEULV-SECBINFHSA-N 0 3 227.398 3.454 20 0 BGADHN CSc1ccc(CN2CCC[C@@H]2C)s1 ZINC000356233748 387631577 /nfs/dbraw/zinc/63/15/77/387631577.db2.gz SBXGEXQFJCEULV-VIFPVBQESA-N 0 3 227.398 3.454 20 0 BGADHN CC1(C2CC2)CCN(Cc2cccc(O)c2)CC1 ZINC000356263483 168014990 /nfs/dbraw/zinc/01/49/90/168014990.db2.gz BADYBPFFSIMPSQ-UHFFFAOYSA-N 0 3 245.366 3.404 20 0 BGADHN CC1(C)CN(Cc2ccsc2)[C@@H]1C1CC1 ZINC000356274540 356792361 /nfs/dbraw/zinc/79/23/61/356792361.db2.gz FYBTWSUOQDFMRA-GFCCVEGCSA-N 0 3 221.369 3.369 20 0 BGADHN CC1(C)CN(Cc2ccsc2)[C@H]1C1CC1 ZINC000356274541 356792341 /nfs/dbraw/zinc/79/23/41/356792341.db2.gz FYBTWSUOQDFMRA-LBPRGKRZSA-N 0 3 221.369 3.369 20 0 BGADHN Cc1ccc(CN2CCC(C)(C3CC3)CC2)cn1 ZINC000356287503 387637116 /nfs/dbraw/zinc/63/71/16/387637116.db2.gz UDPHUKSXDASPPW-UHFFFAOYSA-N 0 3 244.382 3.402 20 0 BGADHN Cn1cccc1CN1CCC(C)(C2CC2)CC1 ZINC000356288020 387637440 /nfs/dbraw/zinc/63/74/40/387637440.db2.gz VNNUFQVBCJQIST-UHFFFAOYSA-N 0 3 232.371 3.037 20 0 BGADHN Cc1ccc(CN2CC(C)(C)[C@H]2C2CC2)o1 ZINC000356290275 387638132 /nfs/dbraw/zinc/63/81/32/387638132.db2.gz HCIGTEBXZDZOJW-CYBMUJFWSA-N 0 3 219.328 3.208 20 0 BGADHN Cc1ccc(CN2CC(C)(C)[C@@H]2C2CC2)o1 ZINC000356290276 387637290 /nfs/dbraw/zinc/63/72/90/387637290.db2.gz HCIGTEBXZDZOJW-ZDUSSCGKSA-N 0 3 219.328 3.208 20 0 BGADHN CCc1ccc(CN2CC(C)(C)[C@@H]2C2CC2)cn1 ZINC000356290983 387637521 /nfs/dbraw/zinc/63/75/21/387637521.db2.gz ZOIPDHUKFAJCRP-HNNXBMFYSA-N 0 3 244.382 3.264 20 0 BGADHN CCc1ccc(CN2CC(C)(C)[C@H]2C2CC2)cn1 ZINC000356290988 387637641 /nfs/dbraw/zinc/63/76/41/387637641.db2.gz ZOIPDHUKFAJCRP-OAHLLOKOSA-N 0 3 244.382 3.264 20 0 BGADHN CC1(C)CN(C/C=C\c2ccncc2)[C@@H]1C1CC1 ZINC000356291397 356792972 /nfs/dbraw/zinc/79/29/72/356792972.db2.gz JEKKNBXBEYLWMO-ABCZVMIZSA-N 0 3 242.366 3.215 20 0 BGADHN CC1(C)CN(C/C=C/c2ccncc2)[C@H]1C1CC1 ZINC000356291398 356793258 /nfs/dbraw/zinc/79/32/58/356793258.db2.gz JEKKNBXBEYLWMO-BWPKMQGJSA-N 0 3 242.366 3.215 20 0 BGADHN CC1(C)CN(C/C=C\c2ccncc2)[C@H]1C1CC1 ZINC000356291399 356793159 /nfs/dbraw/zinc/79/31/59/356793159.db2.gz JEKKNBXBEYLWMO-JZIMQPMSSA-N 0 3 242.366 3.215 20 0 BGADHN CC1(C)CN(C/C=C/c2ccncc2)[C@@H]1C1CC1 ZINC000356291400 356793146 /nfs/dbraw/zinc/79/31/46/356793146.db2.gz JEKKNBXBEYLWMO-NHZBNJEXSA-N 0 3 242.366 3.215 20 0 BGADHN CC[C@H]1CCCC[C@H]1N(C)Cc1n[nH]cc1C ZINC000356295354 387640055 /nfs/dbraw/zinc/64/00/55/387640055.db2.gz BHWXMSTWWZJMPM-GXTWGEPZSA-N 0 3 235.375 3.119 20 0 BGADHN CC[C@H]1CCCC[C@@H]1N(C)Cc1n[nH]cc1C ZINC000356295357 387640940 /nfs/dbraw/zinc/64/09/40/387640940.db2.gz BHWXMSTWWZJMPM-JSGCOSHPSA-N 0 3 235.375 3.119 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1N(C)Cc1n[nH]cc1C ZINC000356295360 356793102 /nfs/dbraw/zinc/79/31/02/356793102.db2.gz BHWXMSTWWZJMPM-OCCSQVGLSA-N 0 3 235.375 3.119 20 0 BGADHN CC[C@@H]1CCCC[C@H]1N(C)Cc1n[nH]cc1C ZINC000356295361 356792994 /nfs/dbraw/zinc/79/29/94/356792994.db2.gz BHWXMSTWWZJMPM-TZMCWYRMSA-N 0 3 235.375 3.119 20 0 BGADHN Cc1n[nH]c(C)c1CN1CCC(C)(C2CC2)CC1 ZINC000356300102 387641148 /nfs/dbraw/zinc/64/11/48/387641148.db2.gz RRHMUBIWPVSHIJ-UHFFFAOYSA-N 0 3 247.386 3.039 20 0 BGADHN CC1(C2CC2)CCN(Cc2ccco2)CC1 ZINC000356301945 168015028 /nfs/dbraw/zinc/01/50/28/168015028.db2.gz ULPKHKAGGXMBGB-UHFFFAOYSA-N 0 3 219.328 3.292 20 0 BGADHN Cc1ccoc1CN1CC(C)(C)[C@H]1C1CC1 ZINC000356302195 387639871 /nfs/dbraw/zinc/63/98/71/387639871.db2.gz VLEQTZHGWXNNAE-CYBMUJFWSA-N 0 3 219.328 3.208 20 0 BGADHN Cc1ccoc1CN1CC(C)(C)[C@@H]1C1CC1 ZINC000356302196 387639302 /nfs/dbraw/zinc/63/93/02/387639302.db2.gz VLEQTZHGWXNNAE-ZDUSSCGKSA-N 0 3 219.328 3.208 20 0 BGADHN Cc1c[nH]nc1CN(C)[C@H](C)C1CCCCC1 ZINC000356311437 387642300 /nfs/dbraw/zinc/64/23/00/387642300.db2.gz ZISJNWGJJCTIJS-GFCCVEGCSA-N 0 3 235.375 3.119 20 0 BGADHN Cc1c[nH]nc1CN(C)[C@@H](C)C1CCCCC1 ZINC000356311438 387642284 /nfs/dbraw/zinc/64/22/84/387642284.db2.gz ZISJNWGJJCTIJS-LBPRGKRZSA-N 0 3 235.375 3.119 20 0 BGADHN CCC[C@@H](CNCc1ccc(F)cc1C)OC ZINC000356324005 169385197 /nfs/dbraw/zinc/38/51/97/169385197.db2.gz SGBBCVSNFDVAMP-AWEZNQCLSA-N 0 3 239.334 3.039 20 0 BGADHN CCC[C@H](CNCc1ccc(F)cc1C)OC ZINC000356324006 384620880 /nfs/dbraw/zinc/62/08/80/384620880.db2.gz SGBBCVSNFDVAMP-CQSZACIVSA-N 0 3 239.334 3.039 20 0 BGADHN CCC[C@H](CNCc1cc2ccccc2o1)OC ZINC000356325337 384628376 /nfs/dbraw/zinc/62/83/76/384628376.db2.gz VQTNYDHOSUSYAM-CYBMUJFWSA-N 0 3 247.338 3.338 20 0 BGADHN CCC[C@@H](CNCc1cc2ccccc2o1)OC ZINC000356325338 169384938 /nfs/dbraw/zinc/38/49/38/169384938.db2.gz VQTNYDHOSUSYAM-ZDUSSCGKSA-N 0 3 247.338 3.338 20 0 BGADHN CCC[C@H](CNCc1cc(C)ccc1F)OC ZINC000356325708 169498829 /nfs/dbraw/zinc/49/88/29/169498829.db2.gz AHZNZMJCKKYMRP-CYBMUJFWSA-N 0 3 239.334 3.039 20 0 BGADHN CCC[C@@H](CNCc1cc(C)ccc1F)OC ZINC000356325710 169385013 /nfs/dbraw/zinc/38/50/13/169385013.db2.gz AHZNZMJCKKYMRP-ZDUSSCGKSA-N 0 3 239.334 3.039 20 0 BGADHN CCC[C@@H](CNCc1cc(F)ccc1C)OC ZINC000356327457 169384448 /nfs/dbraw/zinc/38/44/48/169384448.db2.gz CKGPRLMHJSXYNZ-AWEZNQCLSA-N 0 3 239.334 3.039 20 0 BGADHN CCC[C@H](CNCc1cc(F)ccc1C)OC ZINC000356327458 388548819 /nfs/dbraw/zinc/54/88/19/388548819.db2.gz CKGPRLMHJSXYNZ-CQSZACIVSA-N 0 3 239.334 3.039 20 0 BGADHN CCC[C@H](CNCc1ccc(F)c(C)c1)OC ZINC000356328925 384632377 /nfs/dbraw/zinc/63/23/77/384632377.db2.gz FSKATQRVCLHCHP-CYBMUJFWSA-N 0 3 239.334 3.039 20 0 BGADHN CCC[C@@H](CNCc1ccc(F)c(C)c1)OC ZINC000356328927 169384303 /nfs/dbraw/zinc/38/43/03/169384303.db2.gz FSKATQRVCLHCHP-ZDUSSCGKSA-N 0 3 239.334 3.039 20 0 BGADHN CCC[C@H](CNCc1coc2ccccc12)OC ZINC000356329819 388548967 /nfs/dbraw/zinc/54/89/67/388548967.db2.gz GJVYWRJYSXEFOT-CYBMUJFWSA-N 0 3 247.338 3.338 20 0 BGADHN CCC[C@@H](CNCc1coc2ccccc12)OC ZINC000356329821 169384670 /nfs/dbraw/zinc/38/46/70/169384670.db2.gz GJVYWRJYSXEFOT-ZDUSSCGKSA-N 0 3 247.338 3.338 20 0 BGADHN CCC[C@H](CNCc1ccc(C)c(F)c1)OC ZINC000356334887 388548835 /nfs/dbraw/zinc/54/88/35/388548835.db2.gz MPMQAFXWKNETFO-CYBMUJFWSA-N 0 3 239.334 3.039 20 0 BGADHN CCC[C@@H](CNCc1ccc(C)c(F)c1)OC ZINC000356334889 169384360 /nfs/dbraw/zinc/38/43/60/169384360.db2.gz MPMQAFXWKNETFO-ZDUSSCGKSA-N 0 3 239.334 3.039 20 0 BGADHN COCC1(NCc2cccc(C3CC3)c2)CCC1 ZINC000356376854 174110096 /nfs/dbraw/zinc/11/00/96/174110096.db2.gz OYTDQVYUXMIALJ-UHFFFAOYSA-N 0 3 245.366 3.223 20 0 BGADHN COCC1(NCc2ccc(C3CC3)cc2)CCC1 ZINC000356376920 174109977 /nfs/dbraw/zinc/10/99/77/174109977.db2.gz PFRAOIJGVOBZCZ-UHFFFAOYSA-N 0 3 245.366 3.223 20 0 BGADHN CCOCCN1CCC[C@@H]1/C=C\c1ccccc1 ZINC000356385424 170398159 /nfs/dbraw/zinc/39/81/59/170398159.db2.gz LILROXOOUMPVNT-BLIJAFNYSA-N 0 3 245.366 3.201 20 0 BGADHN CCOCCN1CCC[C@H]1/C=C/c1ccccc1 ZINC000356385433 386418990 /nfs/dbraw/zinc/41/89/90/386418990.db2.gz LILROXOOUMPVNT-OFAQMXQXSA-N 0 3 245.366 3.201 20 0 BGADHN CCOCCN1CCC[C@@H]1/C=C/c1ccccc1 ZINC000356385443 170397939 /nfs/dbraw/zinc/39/79/39/170397939.db2.gz LILROXOOUMPVNT-SIFUEBAJSA-N 0 3 245.366 3.201 20 0 BGADHN CCOCCN1CCC[C@H]1/C=C\c1ccccc1 ZINC000356385448 170399352 /nfs/dbraw/zinc/39/93/52/170399352.db2.gz LILROXOOUMPVNT-SNGWPZLWSA-N 0 3 245.366 3.201 20 0 BGADHN CCC[C@H](CNCc1sccc1Cl)OC ZINC000356417888 384638723 /nfs/dbraw/zinc/63/87/23/384638723.db2.gz QZKQTSRVWGLYRT-SECBINFHSA-N 0 3 247.791 3.306 20 0 BGADHN CCC[C@@H](CNCc1sccc1Cl)OC ZINC000356417889 169384465 /nfs/dbraw/zinc/38/44/65/169384465.db2.gz QZKQTSRVWGLYRT-VIFPVBQESA-N 0 3 247.791 3.306 20 0 BGADHN CCC1(CC)CCN(Cc2n[nH]cc2C)CC1 ZINC000356441023 386554422 /nfs/dbraw/zinc/55/44/22/386554422.db2.gz RFYUFZHLGFEHBR-UHFFFAOYSA-N 0 3 235.375 3.120 20 0 BGADHN CN(C)CCSc1ccc(F)c(Cl)c1 ZINC000356480280 387663881 /nfs/dbraw/zinc/66/38/81/387663881.db2.gz YQQDFKHLIGBEOZ-UHFFFAOYSA-N 0 3 233.739 3.133 20 0 BGADHN CCCC[C@@H](C)N(C)Cc1cnn(CCC)c1 ZINC000356505309 356797937 /nfs/dbraw/zinc/79/79/37/356797937.db2.gz MHIHOHQWBFMMNL-CYBMUJFWSA-N 0 3 237.391 3.304 20 0 BGADHN CCCC[C@H](C)N(C)Cc1cnn(CCC)c1 ZINC000356505310 356797767 /nfs/dbraw/zinc/79/77/67/356797767.db2.gz MHIHOHQWBFMMNL-ZDUSSCGKSA-N 0 3 237.391 3.304 20 0 BGADHN CCCC[C@H](C)N(C)Cc1c(C)n[nH]c1C ZINC000356505765 356797568 /nfs/dbraw/zinc/79/75/68/356797568.db2.gz NDBLBDUVCXDONE-JTQLQIEISA-N 0 3 223.364 3.037 20 0 BGADHN CCCC[C@@H](C)N(C)Cc1c(C)n[nH]c1C ZINC000356505768 356797813 /nfs/dbraw/zinc/79/78/13/356797813.db2.gz NDBLBDUVCXDONE-SNVBAGLBSA-N 0 3 223.364 3.037 20 0 BGADHN CCCC[C@@H](C)N(C)Cc1cccc2nccn21 ZINC000356506715 342783448 /nfs/dbraw/zinc/78/34/48/342783448.db2.gz OTTDVUVZUARRNF-CYBMUJFWSA-N 0 3 245.370 3.345 20 0 BGADHN CCCC[C@H](C)N(C)Cc1cccc2nccn21 ZINC000356506716 342783390 /nfs/dbraw/zinc/78/33/90/342783390.db2.gz OTTDVUVZUARRNF-ZDUSSCGKSA-N 0 3 245.370 3.345 20 0 BGADHN CCCC[C@@H](C)N(C)Cc1ccc(C)nc1 ZINC000356533381 356799060 /nfs/dbraw/zinc/79/90/60/356799060.db2.gz VJTCWSGOEOLUAJ-CYBMUJFWSA-N 0 3 220.360 3.401 20 0 BGADHN CCCC[C@H](C)N(C)Cc1ccc(C)nc1 ZINC000356533382 356798790 /nfs/dbraw/zinc/79/87/90/356798790.db2.gz VJTCWSGOEOLUAJ-ZDUSSCGKSA-N 0 3 220.360 3.401 20 0 BGADHN CCCC[C@@H](C)N(C)Cc1cnn(C(C)C)c1 ZINC000356537484 356799004 /nfs/dbraw/zinc/79/90/04/356799004.db2.gz ZKWWVDAZBHGNJS-CYBMUJFWSA-N 0 3 237.391 3.475 20 0 BGADHN CCCC[C@H](C)N(C)Cc1cnn(C(C)C)c1 ZINC000356537489 356798973 /nfs/dbraw/zinc/79/89/73/356798973.db2.gz ZKWWVDAZBHGNJS-ZDUSSCGKSA-N 0 3 237.391 3.475 20 0 BGADHN Cc1ccncc1[C@@H](C)N[C@H](C)CC(F)(F)F ZINC000356681463 387697930 /nfs/dbraw/zinc/69/79/30/387697930.db2.gz PTKXKDDTKASNMO-NXEZZACHSA-N 0 3 246.276 3.382 20 0 BGADHN Cc1ccncc1[C@H](C)N[C@@H](C)CC(F)(F)F ZINC000356681469 387698433 /nfs/dbraw/zinc/69/84/33/387698433.db2.gz PTKXKDDTKASNMO-UWVGGRQHSA-N 0 3 246.276 3.382 20 0 BGADHN Cc1ccncc1[C@@H](C)N[C@@H](C)CC(F)(F)F ZINC000356681473 387698314 /nfs/dbraw/zinc/69/83/14/387698314.db2.gz PTKXKDDTKASNMO-VHSXEESVSA-N 0 3 246.276 3.382 20 0 BGADHN Cc1ccncc1[C@H](C)N[C@H](C)CC(F)(F)F ZINC000356681476 387698657 /nfs/dbraw/zinc/69/86/57/387698657.db2.gz PTKXKDDTKASNMO-ZJUUUORDSA-N 0 3 246.276 3.382 20 0 BGADHN Cc1ccc([C@H](C)N[C@H](C)[C@H]2CCCOC2)o1 ZINC000356775067 388551129 /nfs/dbraw/zinc/55/11/29/388551129.db2.gz DXYRVMGIZPEIRZ-AGIUHOORSA-N 0 3 237.343 3.054 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H](C)[C@H]2CCCOC2)o1 ZINC000356775069 388550617 /nfs/dbraw/zinc/55/06/17/388550617.db2.gz DXYRVMGIZPEIRZ-AVGNSLFASA-N 0 3 237.343 3.054 20 0 BGADHN Cc1ccc([C@H](C)N[C@H](C)[C@@H]2CCCOC2)o1 ZINC000356775072 178897825 /nfs/dbraw/zinc/89/78/25/178897825.db2.gz DXYRVMGIZPEIRZ-FRRDWIJNSA-N 0 3 237.343 3.054 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H](C)[C@@H]2CCCOC2)o1 ZINC000356775074 178895146 /nfs/dbraw/zinc/89/51/46/178895146.db2.gz DXYRVMGIZPEIRZ-RWMBFGLXSA-N 0 3 237.343 3.054 20 0 BGADHN CCc1cccnc1[C@@H](C)NCCc1ccco1 ZINC000356838437 387730898 /nfs/dbraw/zinc/73/08/98/387730898.db2.gz DOFVAEVZAHQKCL-GFCCVEGCSA-N 0 3 244.338 3.130 20 0 BGADHN CCc1cccnc1[C@H](C)NCCc1ccco1 ZINC000356838441 387730080 /nfs/dbraw/zinc/73/00/80/387730080.db2.gz DOFVAEVZAHQKCL-LBPRGKRZSA-N 0 3 244.338 3.130 20 0 BGADHN Fc1ccc2c(c1)OCCC[C@H]2NC1CCC1 ZINC000356843515 387730410 /nfs/dbraw/zinc/73/04/10/387730410.db2.gz HIRJRBMCVZQPJG-CYBMUJFWSA-N 0 3 235.302 3.182 20 0 BGADHN Fc1ccc2c(c1)OCCC[C@@H]2NC1CCC1 ZINC000356843526 387729091 /nfs/dbraw/zinc/72/90/91/387729091.db2.gz HIRJRBMCVZQPJG-ZDUSSCGKSA-N 0 3 235.302 3.182 20 0 BGADHN CCc1cccnc1[C@@H](C)NCC1(CC)CC1 ZINC000356862565 387733513 /nfs/dbraw/zinc/73/35/13/387733513.db2.gz AVELXGOYKONYGG-GFCCVEGCSA-N 0 3 232.371 3.485 20 0 BGADHN CCc1cccnc1[C@H](C)NCC1(CC)CC1 ZINC000356862569 387733862 /nfs/dbraw/zinc/73/38/62/387733862.db2.gz AVELXGOYKONYGG-LBPRGKRZSA-N 0 3 232.371 3.485 20 0 BGADHN CC(C)[C@H]1CCCN1Cc1nccn1C(C)C ZINC000356880586 187377643 /nfs/dbraw/zinc/37/76/43/187377643.db2.gz ZUKBFVVGWBAPCH-CYBMUJFWSA-N 0 3 235.375 3.084 20 0 BGADHN CC(C)[C@@H]1CCCN1Cc1nccn1C(C)C ZINC000356880587 187213109 /nfs/dbraw/zinc/21/31/09/187213109.db2.gz ZUKBFVVGWBAPCH-ZDUSSCGKSA-N 0 3 235.375 3.084 20 0 BGADHN CCc1cccnc1[C@@H](C)NCC1(C)CCC1 ZINC000356896532 387741107 /nfs/dbraw/zinc/74/11/07/387741107.db2.gz LGKKFIQROSOLMI-GFCCVEGCSA-N 0 3 232.371 3.485 20 0 BGADHN CCc1cccnc1[C@H](C)NCC1(C)CCC1 ZINC000356896536 387740558 /nfs/dbraw/zinc/74/05/58/387740558.db2.gz LGKKFIQROSOLMI-LBPRGKRZSA-N 0 3 232.371 3.485 20 0 BGADHN CCc1cccnc1[C@@H](C)NCC1(C2CC2)CC1 ZINC000356899567 387741492 /nfs/dbraw/zinc/74/14/92/387741492.db2.gz ODCYILWPDLGGSU-GFCCVEGCSA-N 0 3 244.382 3.485 20 0 BGADHN CCc1cccnc1[C@H](C)NCC1(C2CC2)CC1 ZINC000356899568 387741954 /nfs/dbraw/zinc/74/19/54/387741954.db2.gz ODCYILWPDLGGSU-LBPRGKRZSA-N 0 3 244.382 3.485 20 0 BGADHN Cc1ncc(CNCCCCC(C)(C)C)cn1 ZINC000356912680 188066456 /nfs/dbraw/zinc/06/64/56/188066456.db2.gz GPCVJXHMNLTQSS-UHFFFAOYSA-N 0 3 235.375 3.091 20 0 BGADHN Cc1ccc(CN[C@H](C)Cc2cccc(O)c2)o1 ZINC000356921296 178629834 /nfs/dbraw/zinc/62/98/34/178629834.db2.gz PFUCPJQISHOBNS-LLVKDONJSA-N 0 3 245.322 3.014 20 0 BGADHN Cc1ccc(CN[C@@H](C)Cc2cccc(O)c2)o1 ZINC000356921300 387747643 /nfs/dbraw/zinc/74/76/43/387747643.db2.gz PFUCPJQISHOBNS-NSHDSACASA-N 0 3 245.322 3.014 20 0 BGADHN CCN(CCOC)Cc1ccc(Cl)c(C)c1 ZINC000356924882 387749202 /nfs/dbraw/zinc/74/92/02/387749202.db2.gz RJWIDEPXCAGAHQ-UHFFFAOYSA-N 0 3 241.762 3.117 20 0 BGADHN Cc1cnc([C@H](C)N2C[C@H](C)C[C@@H](C)C2)o1 ZINC000356955961 387753786 /nfs/dbraw/zinc/75/37/86/387753786.db2.gz DSRTYWYZWQINND-FOGDFJRCSA-N 0 3 222.332 3.022 20 0 BGADHN Cc1cnc([C@@H](C)N2C[C@H](C)C[C@H](C)C2)o1 ZINC000356955962 387755329 /nfs/dbraw/zinc/75/53/29/387755329.db2.gz DSRTYWYZWQINND-JFGNBEQYSA-N 0 3 222.332 3.022 20 0 BGADHN Cc1cnc([C@H](C)N2C[C@@H](C)C[C@H](C)C2)o1 ZINC000356955963 387753717 /nfs/dbraw/zinc/75/37/17/387753717.db2.gz DSRTYWYZWQINND-NHCYSSNCSA-N 0 3 222.332 3.022 20 0 BGADHN Cc1cnc([C@H](C)N2C[C@H](C)C[C@H](C)C2)o1 ZINC000356955964 387754435 /nfs/dbraw/zinc/75/44/35/387754435.db2.gz DSRTYWYZWQINND-UMNHJUIQSA-N 0 3 222.332 3.022 20 0 BGADHN C[C@@H]1CCC[C@H](CN2CCO[C@H]3CCC[C@H]32)C1 ZINC000356975023 176137415 /nfs/dbraw/zinc/13/74/15/176137415.db2.gz FAUILMPMWARTTR-BARDWOONSA-N 0 3 237.387 3.066 20 0 BGADHN C[C@@H]1CCC[C@H](CN2CCO[C@@H]3CCC[C@@H]32)C1 ZINC000356975024 176138109 /nfs/dbraw/zinc/13/81/09/176138109.db2.gz FAUILMPMWARTTR-CBBWQLFWSA-N 0 3 237.387 3.066 20 0 BGADHN C[C@@H]1CCC[C@H](CN2CCO[C@@H]3CCC[C@H]32)C1 ZINC000356975025 176137648 /nfs/dbraw/zinc/13/76/48/176137648.db2.gz FAUILMPMWARTTR-LXTVHRRPSA-N 0 3 237.387 3.066 20 0 BGADHN C[C@@H]1CCC[C@H](CN2CCO[C@H]3CCC[C@@H]32)C1 ZINC000356975026 176137854 /nfs/dbraw/zinc/13/78/54/176137854.db2.gz FAUILMPMWARTTR-QPSCCSFWSA-N 0 3 237.387 3.066 20 0 BGADHN CCN(CC(C)C)[C@H](C)c1ncc(C)o1 ZINC000356977293 387757154 /nfs/dbraw/zinc/75/71/54/387757154.db2.gz MFXFTKDDSRLZIC-LLVKDONJSA-N 0 3 210.321 3.022 20 0 BGADHN CCN(CC(C)C)[C@@H](C)c1ncc(C)o1 ZINC000356977294 387756913 /nfs/dbraw/zinc/75/69/13/387756913.db2.gz MFXFTKDDSRLZIC-NSHDSACASA-N 0 3 210.321 3.022 20 0 BGADHN C[C@H]1CCC[C@H](CN2CCOC3(CCC3)C2)C1 ZINC000356985445 177133275 /nfs/dbraw/zinc/13/32/75/177133275.db2.gz OCLLONNGGNUQMV-KBPBESRZSA-N 0 3 237.387 3.068 20 0 BGADHN C[C@@H]1CCC[C@H](CN2CCOC3(CCC3)C2)C1 ZINC000356985455 176137897 /nfs/dbraw/zinc/13/78/97/176137897.db2.gz OCLLONNGGNUQMV-KGLIPLIRSA-N 0 3 237.387 3.068 20 0 BGADHN C[C@H]1CCC[C@@H](CN2CCOC3(CCC3)C2)C1 ZINC000356985457 177118945 /nfs/dbraw/zinc/11/89/45/177118945.db2.gz OCLLONNGGNUQMV-UONOGXRCSA-N 0 3 237.387 3.068 20 0 BGADHN C[C@@H]1CCC[C@@H](CN2CCOC3(CCC3)C2)C1 ZINC000356985459 176117447 /nfs/dbraw/zinc/11/74/47/176117447.db2.gz OCLLONNGGNUQMV-ZIAGYGMSSA-N 0 3 237.387 3.068 20 0 BGADHN C[C@H]1CCC[C@H](CN2CCOCC23CCC3)C1 ZINC000356993893 177133490 /nfs/dbraw/zinc/13/34/90/177133490.db2.gz YEOOAKADVNWOIM-KBPBESRZSA-N 0 3 237.387 3.068 20 0 BGADHN C[C@@H]1CCC[C@H](CN2CCOCC23CCC3)C1 ZINC000356993895 176137184 /nfs/dbraw/zinc/13/71/84/176137184.db2.gz YEOOAKADVNWOIM-KGLIPLIRSA-N 0 3 237.387 3.068 20 0 BGADHN C[C@H]1CCC[C@@H](CN2CCOCC23CCC3)C1 ZINC000356993897 177119462 /nfs/dbraw/zinc/11/94/62/177119462.db2.gz YEOOAKADVNWOIM-UONOGXRCSA-N 0 3 237.387 3.068 20 0 BGADHN C[C@@H]1CCC[C@@H](CN2CCOCC23CCC3)C1 ZINC000356993899 176117118 /nfs/dbraw/zinc/11/71/18/176117118.db2.gz YEOOAKADVNWOIM-ZIAGYGMSSA-N 0 3 237.387 3.068 20 0 BGADHN Cc1cnc([C@H](C)N2C[C@@H]3CCCC[C@H]3C2)o1 ZINC000357002404 386685837 /nfs/dbraw/zinc/68/58/37/386685837.db2.gz NARKPUMDSKCWLN-AVGNSLFASA-N 0 3 234.343 3.166 20 0 BGADHN Cc1cnc([C@H](C)N2C[C@@H]3CCCC[C@@H]3C2)o1 ZINC000357002406 386685512 /nfs/dbraw/zinc/68/55/12/386685512.db2.gz NARKPUMDSKCWLN-RWMBFGLXSA-N 0 3 234.343 3.166 20 0 BGADHN Cc1cnc([C@@H](C)N2C[C@@H]3CCCC[C@@H]3C2)o1 ZINC000357002408 386686008 /nfs/dbraw/zinc/68/60/08/386686008.db2.gz NARKPUMDSKCWLN-UPJWGTAASA-N 0 3 234.343 3.166 20 0 BGADHN Cc1cnc([C@H](C)N2C[C@H]3CCCC[C@@H]3C2)o1 ZINC000357002410 386682755 /nfs/dbraw/zinc/68/27/55/386682755.db2.gz NARKPUMDSKCWLN-YNEHKIRRSA-N 0 3 234.343 3.166 20 0 BGADHN CC[C@H](C)CN(CC)[C@H](C)c1ncc(C)o1 ZINC000357002621 171277894 /nfs/dbraw/zinc/27/78/94/171277894.db2.gz GWYSXPHIAACCIA-CMPLNLGQSA-N 0 3 224.348 3.412 20 0 BGADHN CC[C@H](C)CN(CC)[C@@H](C)c1ncc(C)o1 ZINC000357002623 171277814 /nfs/dbraw/zinc/27/78/14/171277814.db2.gz GWYSXPHIAACCIA-JQWIXIFHSA-N 0 3 224.348 3.412 20 0 BGADHN CC[C@@H](C)CN(CC)[C@@H](C)c1ncc(C)o1 ZINC000357002624 387761767 /nfs/dbraw/zinc/76/17/67/387761767.db2.gz GWYSXPHIAACCIA-PWSUYJOCSA-N 0 3 224.348 3.412 20 0 BGADHN CC[C@@H](C)CN(CC)[C@H](C)c1ncc(C)o1 ZINC000357002626 387762170 /nfs/dbraw/zinc/76/21/70/387762170.db2.gz GWYSXPHIAACCIA-ZYHUDNBSSA-N 0 3 224.348 3.412 20 0 BGADHN CSCCN(C)Cc1ccc(Cl)c(C)c1 ZINC000357003685 386685046 /nfs/dbraw/zinc/68/50/46/386685046.db2.gz ZTKYCXYGQUFTCH-UHFFFAOYSA-N 0 3 243.803 3.443 20 0 BGADHN Cc1cnc([C@@H](C)N2CC[C@H](CC(C)C)C2)o1 ZINC000357005962 386680596 /nfs/dbraw/zinc/68/05/96/386680596.db2.gz MPTHGRJOQKUQTH-CHWSQXEVSA-N 0 3 236.359 3.412 20 0 BGADHN Cc1cnc([C@@H](C)N2CC[C@@H](CC(C)C)C2)o1 ZINC000357005963 386681850 /nfs/dbraw/zinc/68/18/50/386681850.db2.gz MPTHGRJOQKUQTH-OLZOCXBDSA-N 0 3 236.359 3.412 20 0 BGADHN Cc1cnc([C@H](C)N2CC[C@H](CC(C)C)C2)o1 ZINC000357005964 386682212 /nfs/dbraw/zinc/68/22/12/386682212.db2.gz MPTHGRJOQKUQTH-QWHCGFSZSA-N 0 3 236.359 3.412 20 0 BGADHN Cc1cnc([C@H](C)N2CC[C@@H](CC(C)C)C2)o1 ZINC000357005965 386681768 /nfs/dbraw/zinc/68/17/68/386681768.db2.gz MPTHGRJOQKUQTH-STQMWFEESA-N 0 3 236.359 3.412 20 0 BGADHN C[C@H]1CCN(CCC(F)(F)F)CC12CCC2 ZINC000357011469 177158534 /nfs/dbraw/zinc/15/85/34/177158534.db2.gz OFEJEFUWIJFJAL-JTQLQIEISA-N 0 3 235.293 3.451 20 0 BGADHN C[C@@H]1CCN(CCC(F)(F)F)CC12CCC2 ZINC000357011471 176168872 /nfs/dbraw/zinc/16/88/72/176168872.db2.gz OFEJEFUWIJFJAL-SNVBAGLBSA-N 0 3 235.293 3.451 20 0 BGADHN Cc1ncc(CN(C)[C@H](C)C2CCC2)s1 ZINC000357013938 180141336 /nfs/dbraw/zinc/14/13/36/180141336.db2.gz VEXNDMAIYQOYMZ-SECBINFHSA-N 0 3 224.373 3.072 20 0 BGADHN Cc1ncc(CN(C)[C@@H](C)C2CCC2)s1 ZINC000357013940 180140834 /nfs/dbraw/zinc/14/08/34/180140834.db2.gz VEXNDMAIYQOYMZ-VIFPVBQESA-N 0 3 224.373 3.072 20 0 BGADHN Cc1cnc([C@H](C)N2CC[C@H](C)C[C@H](C)C2)o1 ZINC000357017240 386690202 /nfs/dbraw/zinc/69/02/02/386690202.db2.gz GXJGAUBOQXIJAI-GVXVVHGQSA-N 0 3 236.359 3.412 20 0 BGADHN Cc1cnc([C@H](C)N2CC[C@H](C)C[C@@H](C)C2)o1 ZINC000357017241 386687291 /nfs/dbraw/zinc/68/72/91/386687291.db2.gz GXJGAUBOQXIJAI-LOWVWBTDSA-N 0 3 236.359 3.412 20 0 BGADHN Cc1cnc([C@H](C)N2CC[C@@H](C)C[C@H](C)C2)o1 ZINC000357017242 386688375 /nfs/dbraw/zinc/68/83/75/386688375.db2.gz GXJGAUBOQXIJAI-MDZLAQPJSA-N 0 3 236.359 3.412 20 0 BGADHN Cc1cnc([C@H](C)N2CC[C@@H](C)C[C@@H](C)C2)o1 ZINC000357017243 386687105 /nfs/dbraw/zinc/68/71/05/386687105.db2.gz GXJGAUBOQXIJAI-WZRBSPASSA-N 0 3 236.359 3.412 20 0 BGADHN CCc1noc(C)c1CN(C)[C@@H](C)C1CCC1 ZINC000357019882 172075850 /nfs/dbraw/zinc/07/58/50/172075850.db2.gz DIGZNIZZYRVYRK-JTQLQIEISA-N 0 3 236.359 3.166 20 0 BGADHN CCc1noc(C)c1CN(C)[C@H](C)C1CCC1 ZINC000357019883 172075869 /nfs/dbraw/zinc/07/58/69/172075869.db2.gz DIGZNIZZYRVYRK-SNVBAGLBSA-N 0 3 236.359 3.166 20 0 BGADHN C[C@H](C1CCC1)N(C)Cc1ccccc1F ZINC000357020453 386691771 /nfs/dbraw/zinc/69/17/71/386691771.db2.gz FUJOWCXRSAEPEI-LLVKDONJSA-N 0 3 221.319 3.446 20 0 BGADHN C[C@@H](C1CCC1)N(C)Cc1ccccc1F ZINC000357020462 386692202 /nfs/dbraw/zinc/69/22/02/386692202.db2.gz FUJOWCXRSAEPEI-NSHDSACASA-N 0 3 221.319 3.446 20 0 BGADHN C[C@H](C1CCC1)N(C)Cc1nc2ccccc2o1 ZINC000357024400 386692289 /nfs/dbraw/zinc/69/22/89/386692289.db2.gz NAVYIJGICDFTNO-LLVKDONJSA-N 0 3 244.338 3.448 20 0 BGADHN C[C@@H](C1CCC1)N(C)Cc1nc2ccccc2o1 ZINC000357024402 386690791 /nfs/dbraw/zinc/69/07/91/386690791.db2.gz NAVYIJGICDFTNO-NSHDSACASA-N 0 3 244.338 3.448 20 0 BGADHN Cc1csc(CN(C)[C@@H](C)C2CCC2)n1 ZINC000357025045 386692853 /nfs/dbraw/zinc/69/28/53/386692853.db2.gz OKVJPAULDWSLQU-JTQLQIEISA-N 0 3 224.373 3.072 20 0 BGADHN Cc1csc(CN(C)[C@H](C)C2CCC2)n1 ZINC000357025046 386692341 /nfs/dbraw/zinc/69/23/41/386692341.db2.gz OKVJPAULDWSLQU-SNVBAGLBSA-N 0 3 224.373 3.072 20 0 BGADHN CC(C)n1ccc(CN(C)[C@H](C)C2CCC2)n1 ZINC000357025574 386690816 /nfs/dbraw/zinc/69/08/16/386690816.db2.gz ANRKXVRIDDEEPJ-GFCCVEGCSA-N 0 3 235.375 3.084 20 0 BGADHN CC(C)n1ccc(CN(C)[C@@H](C)C2CCC2)n1 ZINC000357025575 386694035 /nfs/dbraw/zinc/69/40/35/386694035.db2.gz ANRKXVRIDDEEPJ-LBPRGKRZSA-N 0 3 235.375 3.084 20 0 BGADHN C[C@@H](C1CCC1)N(C)Cc1ccncc1Cl ZINC000357026205 386689087 /nfs/dbraw/zinc/68/90/87/386689087.db2.gz CBVOZPAUDAJKKN-JTQLQIEISA-N 0 3 238.762 3.355 20 0 BGADHN C[C@H](C1CCC1)N(C)Cc1ccncc1Cl ZINC000357026207 386688132 /nfs/dbraw/zinc/68/81/32/386688132.db2.gz CBVOZPAUDAJKKN-SNVBAGLBSA-N 0 3 238.762 3.355 20 0 BGADHN Cc1ccncc1CN1CC[C@H](C)C2(CCC2)C1 ZINC000357026286 386691153 /nfs/dbraw/zinc/69/11/53/386691153.db2.gz QLPNJHLDSSGZRT-AWEZNQCLSA-N 0 3 244.382 3.402 20 0 BGADHN Cc1ccncc1CN1CC[C@@H](C)C2(CCC2)C1 ZINC000357026289 386691675 /nfs/dbraw/zinc/69/16/75/386691675.db2.gz QLPNJHLDSSGZRT-CQSZACIVSA-N 0 3 244.382 3.402 20 0 BGADHN Cc1nc(CN(C)[C@H](C)C2CCC2)c(C)s1 ZINC000357027999 386695360 /nfs/dbraw/zinc/69/53/60/386695360.db2.gz ACWDTAHEBNSMOM-SECBINFHSA-N 0 3 238.400 3.380 20 0 BGADHN Cc1nc(CN(C)[C@@H](C)C2CCC2)c(C)s1 ZINC000357028000 386698198 /nfs/dbraw/zinc/69/81/98/386698198.db2.gz ACWDTAHEBNSMOM-VIFPVBQESA-N 0 3 238.400 3.380 20 0 BGADHN Cc1nc(CN(C)[C@@H](C)C2CCC2)sc1C ZINC000357028863 386697880 /nfs/dbraw/zinc/69/78/80/386697880.db2.gz CBQJFSLXUNQBCR-JTQLQIEISA-N 0 3 238.400 3.380 20 0 BGADHN Cc1nc(CN(C)[C@H](C)C2CCC2)sc1C ZINC000357028865 386694913 /nfs/dbraw/zinc/69/49/13/386694913.db2.gz CBQJFSLXUNQBCR-SNVBAGLBSA-N 0 3 238.400 3.380 20 0 BGADHN CSCCN1CC=C(c2cccc(C)c2)CC1 ZINC000357029334 386695490 /nfs/dbraw/zinc/69/54/90/386695490.db2.gz CVWOHZPLSGZOGV-UHFFFAOYSA-N 0 3 247.407 3.447 20 0 BGADHN COc1cc(C)nc(CN(C)[C@H](C)C2CCC2)c1 ZINC000357035967 386698121 /nfs/dbraw/zinc/69/81/21/386698121.db2.gz JKYBDFGCEADYQP-GFCCVEGCSA-N 0 3 248.370 3.019 20 0 BGADHN COc1cc(C)nc(CN(C)[C@@H](C)C2CCC2)c1 ZINC000357035968 386695739 /nfs/dbraw/zinc/69/57/39/386695739.db2.gz JKYBDFGCEADYQP-LBPRGKRZSA-N 0 3 248.370 3.019 20 0 BGADHN Cc1cccc(CN2CC[C@@H](C)C3(CCC3)C2)n1 ZINC000357037285 179080428 /nfs/dbraw/zinc/08/04/28/179080428.db2.gz LQHUYRXRBZGBPV-CYBMUJFWSA-N 0 3 244.382 3.402 20 0 BGADHN Cc1cccc(CN2CC[C@H](C)C3(CCC3)C2)n1 ZINC000357037288 179083085 /nfs/dbraw/zinc/08/30/85/179083085.db2.gz LQHUYRXRBZGBPV-ZDUSSCGKSA-N 0 3 244.382 3.402 20 0 BGADHN Cc1ccc(CN2CC[C@H](C)C3(CCC3)C2)nc1 ZINC000357039419 386699430 /nfs/dbraw/zinc/69/94/30/386699430.db2.gz OHWHPGXKEBORPC-AWEZNQCLSA-N 0 3 244.382 3.402 20 0 BGADHN Cc1ccc(CN2CC[C@@H](C)C3(CCC3)C2)nc1 ZINC000357039423 386701495 /nfs/dbraw/zinc/70/14/95/386701495.db2.gz OHWHPGXKEBORPC-CQSZACIVSA-N 0 3 244.382 3.402 20 0 BGADHN C[C@@H](C1CCC1)N(C)Cc1cn2ccsc2n1 ZINC000357045209 386701686 /nfs/dbraw/zinc/70/16/86/386701686.db2.gz VWYHPPRBGOXUFY-JTQLQIEISA-N 0 3 249.383 3.016 20 0 BGADHN C[C@H](C1CCC1)N(C)Cc1cn2ccsc2n1 ZINC000357045211 386702208 /nfs/dbraw/zinc/70/22/08/386702208.db2.gz VWYHPPRBGOXUFY-SNVBAGLBSA-N 0 3 249.383 3.016 20 0 BGADHN CC(C)[C@@H](C)N(C)Cc1ccn(C2CCCC2)n1 ZINC000357164316 167369158 /nfs/dbraw/zinc/36/91/58/167369158.db2.gz FNQLBFSSPBRYHT-CYBMUJFWSA-N 0 3 249.402 3.475 20 0 BGADHN CC(C)[C@H](C)N(C)Cc1ccn(C2CCCC2)n1 ZINC000357164318 386728451 /nfs/dbraw/zinc/72/84/51/386728451.db2.gz FNQLBFSSPBRYHT-ZDUSSCGKSA-N 0 3 249.402 3.475 20 0 BGADHN CCN(Cc1ccn(C2CCCC2)n1)CC(C)C ZINC000357174655 356816546 /nfs/dbraw/zinc/81/65/46/356816546.db2.gz WCMOCAJSHKLKFA-UHFFFAOYSA-N 0 3 249.402 3.476 20 0 BGADHN COCCN(CCC(C)C)Cc1cccs1 ZINC000357221829 174289692 /nfs/dbraw/zinc/28/96/92/174289692.db2.gz DVCAEBYBSIRLCL-UHFFFAOYSA-N 0 3 241.400 3.243 20 0 BGADHN CCC1(C)CCN(Cc2ncccc2C)CC1 ZINC000357302051 386756771 /nfs/dbraw/zinc/75/67/71/386756771.db2.gz DRCXCUUSNVEQTI-UHFFFAOYSA-N 0 3 232.371 3.402 20 0 BGADHN CCC[C@@H](C)N(C)Cc1ncccc1C ZINC000357304507 169365182 /nfs/dbraw/zinc/36/51/82/169365182.db2.gz JXVXGROEAUWXSU-GFCCVEGCSA-N 0 3 206.333 3.010 20 0 BGADHN CCC[C@H](C)N(C)Cc1ncccc1C ZINC000357304508 386756875 /nfs/dbraw/zinc/75/68/75/386756875.db2.gz JXVXGROEAUWXSU-LBPRGKRZSA-N 0 3 206.333 3.010 20 0 BGADHN Cc1cnc(CN([C@H](C)C(C)C)C2CC2)s1 ZINC000357308795 386755927 /nfs/dbraw/zinc/75/59/27/386755927.db2.gz OZKSDBCFICHJLC-LLVKDONJSA-N 0 3 238.400 3.460 20 0 BGADHN Cc1cnc(CN([C@@H](C)C(C)C)C2CC2)s1 ZINC000357308798 386756550 /nfs/dbraw/zinc/75/65/50/386756550.db2.gz OZKSDBCFICHJLC-NSHDSACASA-N 0 3 238.400 3.460 20 0 BGADHN Cc1cnc(CN2CCCCC[C@@H]2C)s1 ZINC000357311113 384180823 /nfs/dbraw/zinc/18/08/23/384180823.db2.gz ZORRWYHSQWIJID-JTQLQIEISA-N 0 3 224.373 3.216 20 0 BGADHN Cc1cnc(CN2CCCCC[C@H]2C)s1 ZINC000357311114 384180366 /nfs/dbraw/zinc/18/03/66/384180366.db2.gz ZORRWYHSQWIJID-SNVBAGLBSA-N 0 3 224.373 3.216 20 0 BGADHN Cc1cnc(CN2CCC[C@@H]2C(C)(C)C)s1 ZINC000357312700 386757288 /nfs/dbraw/zinc/75/72/88/386757288.db2.gz XREDVUQOTUCCPC-LLVKDONJSA-N 0 3 238.400 3.462 20 0 BGADHN Cc1cnc(CN2CCC[C@H]2C(C)(C)C)s1 ZINC000357312702 386753561 /nfs/dbraw/zinc/75/35/61/386753561.db2.gz XREDVUQOTUCCPC-NSHDSACASA-N 0 3 238.400 3.462 20 0 BGADHN CC[C@@H]1C[C@H](C)CN1Cc1ncc(C)s1 ZINC000357312793 171127668 /nfs/dbraw/zinc/12/76/68/171127668.db2.gz ZDPHNFHYLWHEFQ-GXSJLCMTSA-N 0 3 224.373 3.072 20 0 BGADHN CC[C@H]1C[C@@H](C)CN1Cc1ncc(C)s1 ZINC000357312794 386755838 /nfs/dbraw/zinc/75/58/38/386755838.db2.gz ZDPHNFHYLWHEFQ-KOLCDFICSA-N 0 3 224.373 3.072 20 0 BGADHN CC[C@@H]1C[C@@H](C)CN1Cc1ncc(C)s1 ZINC000357312795 171117644 /nfs/dbraw/zinc/11/76/44/171117644.db2.gz ZDPHNFHYLWHEFQ-MWLCHTKSSA-N 0 3 224.373 3.072 20 0 BGADHN CC[C@H]1C[C@H](C)CN1Cc1ncc(C)s1 ZINC000357312798 386757613 /nfs/dbraw/zinc/75/76/13/386757613.db2.gz ZDPHNFHYLWHEFQ-ONGXEEELSA-N 0 3 224.373 3.072 20 0 BGADHN C[C@H]1N(CCC2CCCC2)CCOC1(C)C ZINC000357314699 177392221 /nfs/dbraw/zinc/39/22/21/177392221.db2.gz KDNQAJJVZPYGSU-GFCCVEGCSA-N 0 3 225.376 3.066 20 0 BGADHN C[C@@H]1N(CCC2CCCC2)CCOC1(C)C ZINC000357314701 386757184 /nfs/dbraw/zinc/75/71/84/386757184.db2.gz KDNQAJJVZPYGSU-LBPRGKRZSA-N 0 3 225.376 3.066 20 0 BGADHN CCC1(CC)CCN(Cc2ncc(C)s2)C1 ZINC000357318830 386759280 /nfs/dbraw/zinc/75/92/80/386759280.db2.gz KMTHQCSBQIYIQF-UHFFFAOYSA-N 0 3 238.400 3.464 20 0 BGADHN Cc1cnc(CN2CCC[C@@H]2CC(C)C)s1 ZINC000357322954 386760024 /nfs/dbraw/zinc/76/00/24/386760024.db2.gz VFPCEZXOINYCHN-GFCCVEGCSA-N 0 3 238.400 3.462 20 0 BGADHN Cc1cnc(CN2CCC[C@H]2CC(C)C)s1 ZINC000357322956 386758998 /nfs/dbraw/zinc/75/89/98/386758998.db2.gz VFPCEZXOINYCHN-LBPRGKRZSA-N 0 3 238.400 3.462 20 0 BGADHN Cc1cccnc1CN1CCC(C)(C)CC1 ZINC000357337704 179373006 /nfs/dbraw/zinc/37/30/06/179373006.db2.gz VIGSXLNFLDNTPF-UHFFFAOYSA-N 0 3 218.344 3.012 20 0 BGADHN CC[C@H](C)CNCc1nc2ccc(C)cc2[nH]1 ZINC000357340331 171285403 /nfs/dbraw/zinc/28/54/03/171285403.db2.gz AVFAAPARXSJBLH-JTQLQIEISA-N 0 3 231.343 3.007 20 0 BGADHN CC[C@H](C)CNCc1nc2cc(C)ccc2[nH]1 ZINC000357340331 171285399 /nfs/dbraw/zinc/28/53/99/171285399.db2.gz AVFAAPARXSJBLH-JTQLQIEISA-N 0 3 231.343 3.007 20 0 BGADHN CC[C@@H](C)CNCc1nc2ccc(C)cc2[nH]1 ZINC000357340333 386764469 /nfs/dbraw/zinc/76/44/69/386764469.db2.gz AVFAAPARXSJBLH-SNVBAGLBSA-N 0 3 231.343 3.007 20 0 BGADHN CC[C@@H](C)CNCc1nc2cc(C)ccc2[nH]1 ZINC000357340333 386764462 /nfs/dbraw/zinc/76/44/62/386764462.db2.gz AVFAAPARXSJBLH-SNVBAGLBSA-N 0 3 231.343 3.007 20 0 BGADHN CCCC1CCC(CNCc2ccn(C)n2)CC1 ZINC000357340597 386763630 /nfs/dbraw/zinc/76/36/30/386763630.db2.gz FEDXBJYKJBHZQM-UHFFFAOYSA-N 0 3 249.402 3.116 20 0 BGADHN CSc1cc(CNCc2ccccc2)ccn1 ZINC000357357467 386766824 /nfs/dbraw/zinc/76/68/24/386766824.db2.gz RHMUMCXJUSAAHX-UHFFFAOYSA-N 0 3 244.363 3.093 20 0 BGADHN Cc1cnc(CN(CC2CC2)CC2CC2)s1 ZINC000357391833 386773166 /nfs/dbraw/zinc/77/31/66/386773166.db2.gz QERLYWFGLSPLDN-UHFFFAOYSA-N 0 3 236.384 3.074 20 0 BGADHN CC[C@@H]1CC[C@H](C)N1Cc1ccn(C(C)C)n1 ZINC000357524040 171055229 /nfs/dbraw/zinc/05/52/29/171055229.db2.gz ALLXQBHUBGKERM-GXTWGEPZSA-N 0 3 235.375 3.227 20 0 BGADHN CC[C@H]1CC[C@H](C)N1Cc1ccn(C(C)C)n1 ZINC000357524042 397937392 /nfs/dbraw/zinc/93/73/92/397937392.db2.gz ALLXQBHUBGKERM-JSGCOSHPSA-N 0 3 235.375 3.227 20 0 BGADHN CC[C@H]1CC[C@@H](C)N1Cc1ccn(C(C)C)n1 ZINC000357524044 385032701 /nfs/dbraw/zinc/03/27/01/385032701.db2.gz ALLXQBHUBGKERM-OCCSQVGLSA-N 0 3 235.375 3.227 20 0 BGADHN CC[C@@H]1CC[C@@H](C)N1Cc1ccn(C(C)C)n1 ZINC000357524046 171037644 /nfs/dbraw/zinc/03/76/44/171037644.db2.gz ALLXQBHUBGKERM-TZMCWYRMSA-N 0 3 235.375 3.227 20 0 BGADHN CC[C@@H]1CC[C@@H](C)N1Cc1nccn1C(C)C ZINC000357524102 171038771 /nfs/dbraw/zinc/03/87/71/171038771.db2.gz AQMUVXWZJVNBSP-CHWSQXEVSA-N 0 3 235.375 3.227 20 0 BGADHN CC[C@H]1CC[C@@H](C)N1Cc1nccn1C(C)C ZINC000357524105 397937854 /nfs/dbraw/zinc/93/78/54/397937854.db2.gz AQMUVXWZJVNBSP-OLZOCXBDSA-N 0 3 235.375 3.227 20 0 BGADHN CC[C@@H]1CC[C@H](C)N1Cc1nccn1C(C)C ZINC000357524108 171054628 /nfs/dbraw/zinc/05/46/28/171054628.db2.gz AQMUVXWZJVNBSP-QWHCGFSZSA-N 0 3 235.375 3.227 20 0 BGADHN CC[C@H]1CC[C@H](C)N1Cc1nccn1C(C)C ZINC000357524110 397937344 /nfs/dbraw/zinc/93/73/44/397937344.db2.gz AQMUVXWZJVNBSP-STQMWFEESA-N 0 3 235.375 3.227 20 0 BGADHN CCOCCN(C)[C@@H](C)c1cc(C)ccc1C ZINC000357529208 170391888 /nfs/dbraw/zinc/39/18/88/170391888.db2.gz MNLRDUQAKIKDNU-AWEZNQCLSA-N 0 3 235.371 3.333 20 0 BGADHN CCOCCN(C)[C@H](C)c1cc(C)ccc1C ZINC000357529209 170391227 /nfs/dbraw/zinc/39/12/27/170391227.db2.gz MNLRDUQAKIKDNU-CQSZACIVSA-N 0 3 235.371 3.333 20 0 BGADHN CCOCCN(C)[C@H](C)c1cccc(Cl)c1 ZINC000357530285 170392201 /nfs/dbraw/zinc/39/22/01/170392201.db2.gz PEDAIOJAMOWJHF-LLVKDONJSA-N 0 3 241.762 3.369 20 0 BGADHN CCOCCN(C)[C@@H](C)c1cccc(Cl)c1 ZINC000357530286 170391144 /nfs/dbraw/zinc/39/11/44/170391144.db2.gz PEDAIOJAMOWJHF-NSHDSACASA-N 0 3 241.762 3.369 20 0 BGADHN CCCc1ccc(CN(C)CCOCC)cc1 ZINC000357533619 386801031 /nfs/dbraw/zinc/80/10/31/386801031.db2.gz XBLBQJLKZOVBKO-UHFFFAOYSA-N 0 3 235.371 3.107 20 0 BGADHN CCOCCN(C)[C@H](C)c1ccc(Cl)cc1 ZINC000357548179 170391706 /nfs/dbraw/zinc/39/17/06/170391706.db2.gz AZSSZVOPOOUUPP-LLVKDONJSA-N 0 3 241.762 3.369 20 0 BGADHN CCOCCN(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000357548180 170391817 /nfs/dbraw/zinc/39/18/17/170391817.db2.gz AZSSZVOPOOUUPP-NSHDSACASA-N 0 3 241.762 3.369 20 0 BGADHN CC[C@@H]1CC[C@H](C)N1Cc1cc(OC)cc(C)n1 ZINC000357548881 171054929 /nfs/dbraw/zinc/05/49/29/171054929.db2.gz BYXUGISCNPFOJO-GXTWGEPZSA-N 0 3 248.370 3.162 20 0 BGADHN CC[C@H]1CC[C@H](C)N1Cc1cc(OC)cc(C)n1 ZINC000357548884 386801810 /nfs/dbraw/zinc/80/18/10/386801810.db2.gz BYXUGISCNPFOJO-JSGCOSHPSA-N 0 3 248.370 3.162 20 0 BGADHN CC[C@H]1CC[C@@H](C)N1Cc1cc(OC)cc(C)n1 ZINC000357549642 386803578 /nfs/dbraw/zinc/80/35/78/386803578.db2.gz BYXUGISCNPFOJO-OCCSQVGLSA-N 0 3 248.370 3.162 20 0 BGADHN CC[C@@H]1CC[C@@H](C)N1Cc1cc(OC)cc(C)n1 ZINC000357549643 171037776 /nfs/dbraw/zinc/03/77/76/171037776.db2.gz BYXUGISCNPFOJO-TZMCWYRMSA-N 0 3 248.370 3.162 20 0 BGADHN CC[C@@H]1CC[C@H](C)N1Cc1ccncc1Cl ZINC000357549750 171054610 /nfs/dbraw/zinc/05/46/10/171054610.db2.gz DSOXHXGMAWKPKX-CMPLNLGQSA-N 0 3 238.762 3.498 20 0 BGADHN CC[C@H]1CC[C@H](C)N1Cc1ccncc1Cl ZINC000357549751 386801746 /nfs/dbraw/zinc/80/17/46/386801746.db2.gz DSOXHXGMAWKPKX-JQWIXIFHSA-N 0 3 238.762 3.498 20 0 BGADHN CC[C@H]1CC[C@@H](C)N1Cc1ccncc1Cl ZINC000357549752 386802451 /nfs/dbraw/zinc/80/24/51/386802451.db2.gz DSOXHXGMAWKPKX-PWSUYJOCSA-N 0 3 238.762 3.498 20 0 BGADHN CC[C@@H]1CC[C@@H](C)N1Cc1ccncc1Cl ZINC000357549753 171038586 /nfs/dbraw/zinc/03/85/86/171038586.db2.gz DSOXHXGMAWKPKX-ZYHUDNBSSA-N 0 3 238.762 3.498 20 0 BGADHN CCc1nc(CN2[C@H](CC)CC[C@@H]2C)cs1 ZINC000357551722 171983582 /nfs/dbraw/zinc/98/35/82/171983582.db2.gz KWXHRPXAILCGFE-CMPLNLGQSA-N 0 3 238.400 3.468 20 0 BGADHN CCc1nc(CN2[C@@H](C)CC[C@@H]2CC)cs1 ZINC000357551723 356837810 /nfs/dbraw/zinc/83/78/10/356837810.db2.gz KWXHRPXAILCGFE-JQWIXIFHSA-N 0 3 238.400 3.468 20 0 BGADHN CCc1nc(CN2[C@H](C)CC[C@@H]2CC)cs1 ZINC000357551725 356837211 /nfs/dbraw/zinc/83/72/11/356837211.db2.gz KWXHRPXAILCGFE-PWSUYJOCSA-N 0 3 238.400 3.468 20 0 BGADHN CCc1nc(CN2[C@H](C)CC[C@H]2CC)cs1 ZINC000357551727 356837574 /nfs/dbraw/zinc/83/75/74/356837574.db2.gz KWXHRPXAILCGFE-ZYHUDNBSSA-N 0 3 238.400 3.468 20 0 BGADHN CCN(CCOCC1CC1)Cc1ccccc1C ZINC000357589897 386809961 /nfs/dbraw/zinc/80/99/61/386809961.db2.gz BRJUQFGJWFRVKI-UHFFFAOYSA-N 0 3 247.382 3.244 20 0 BGADHN C[C@@H]1CN(CCC2CCCC2)CC(C)(C)O1 ZINC000357607769 176287509 /nfs/dbraw/zinc/28/75/09/176287509.db2.gz FRFPNIMZVJANIC-GFCCVEGCSA-N 0 3 225.376 3.066 20 0 BGADHN C[C@H]1CN(CCC2CCCC2)CC(C)(C)O1 ZINC000357607770 177246074 /nfs/dbraw/zinc/24/60/74/177246074.db2.gz FRFPNIMZVJANIC-LBPRGKRZSA-N 0 3 225.376 3.066 20 0 BGADHN CC[C@@H]1CO[C@@H](C)CN1CCC1CCCC1 ZINC000357610250 171109427 /nfs/dbraw/zinc/10/94/27/171109427.db2.gz WSYKSAGDSYXSPQ-GXTWGEPZSA-N 0 3 225.376 3.066 20 0 BGADHN CC[C@H]1CO[C@@H](C)CN1CCC1CCCC1 ZINC000357610254 386814817 /nfs/dbraw/zinc/81/48/17/386814817.db2.gz WSYKSAGDSYXSPQ-JSGCOSHPSA-N 0 3 225.376 3.066 20 0 BGADHN CC[C@H]1CO[C@H](C)CN1CCC1CCCC1 ZINC000357610257 386814151 /nfs/dbraw/zinc/81/41/51/386814151.db2.gz WSYKSAGDSYXSPQ-OCCSQVGLSA-N 0 3 225.376 3.066 20 0 BGADHN CC[C@@H]1CO[C@H](C)CN1CCC1CCCC1 ZINC000357610264 171112291 /nfs/dbraw/zinc/11/22/91/171112291.db2.gz WSYKSAGDSYXSPQ-TZMCWYRMSA-N 0 3 225.376 3.066 20 0 BGADHN Cc1cccnc1CN1CC[C@H](C)C2(CCC2)C1 ZINC000357611161 179376298 /nfs/dbraw/zinc/37/62/98/179376298.db2.gz RPSSEFIQRRYHCZ-AWEZNQCLSA-N 0 3 244.382 3.402 20 0 BGADHN Cc1cccnc1CN1CC[C@@H](C)C2(CCC2)C1 ZINC000357611162 179375912 /nfs/dbraw/zinc/37/59/12/179375912.db2.gz RPSSEFIQRRYHCZ-CQSZACIVSA-N 0 3 244.382 3.402 20 0 BGADHN CN(CCC1CCCC1)Cc1ccoc1 ZINC000357613892 386814962 /nfs/dbraw/zinc/81/49/62/386814962.db2.gz YQANIITWGHHCAI-UHFFFAOYSA-N 0 3 207.317 3.292 20 0 BGADHN CSCCCN(C)c1ccnc2ccccc21 ZINC000357660824 386821797 /nfs/dbraw/zinc/82/17/97/386821797.db2.gz MLWQFRHRNLQYGT-UHFFFAOYSA-N 0 3 246.379 3.424 20 0 BGADHN CC[C@@]1(C)C[C@@H]1c1nc(CCC2CC2)no1 ZINC000357662847 171207321 /nfs/dbraw/zinc/20/73/21/171207321.db2.gz HHSFZSOHZPKZJV-MFKMUULPSA-N 0 3 220.316 3.316 20 0 BGADHN F[C@@H]1CCCN(c2ccnc3ccccc32)C1 ZINC000357685466 132396870 /nfs/dbraw/zinc/39/68/70/132396870.db2.gz BFNXREOTZXOIIU-LLVKDONJSA-N 0 3 230.286 3.173 20 0 BGADHN F[C@H]1CCCN(c2ccnc3ccccc32)C1 ZINC000357685493 132396931 /nfs/dbraw/zinc/39/69/31/132396931.db2.gz BFNXREOTZXOIIU-NSHDSACASA-N 0 3 230.286 3.173 20 0 BGADHN Cc1cc(N2CCC[C@@H](F)C2)c2ccccc2n1 ZINC000357692667 132274447 /nfs/dbraw/zinc/27/44/47/132274447.db2.gz QXMIYANKPKIBFH-GFCCVEGCSA-N 0 3 244.313 3.482 20 0 BGADHN Cc1cc(N2CCC[C@H](F)C2)c2ccccc2n1 ZINC000357692671 132274404 /nfs/dbraw/zinc/27/44/04/132274404.db2.gz QXMIYANKPKIBFH-LBPRGKRZSA-N 0 3 244.313 3.482 20 0 BGADHN Cc1ccc2nccc(N3CCC[C@@H](F)C3)c2c1 ZINC000357695472 132274915 /nfs/dbraw/zinc/27/49/15/132274915.db2.gz YUBRBHHTQQWWDT-GFCCVEGCSA-N 0 3 244.313 3.482 20 0 BGADHN Cc1ccc2nccc(N3CCC[C@H](F)C3)c2c1 ZINC000357695473 132274877 /nfs/dbraw/zinc/27/48/77/132274877.db2.gz YUBRBHHTQQWWDT-LBPRGKRZSA-N 0 3 244.313 3.482 20 0 BGADHN CC(F)(F)CCNCc1ccc(Cl)o1 ZINC000357704547 487917163 /nfs/dbraw/zinc/91/71/63/487917163.db2.gz FFDMDKRRQSAIQV-UHFFFAOYSA-N 0 3 223.650 3.068 20 0 BGADHN CC[C@H](NCCC(C)(F)F)c1ccc(F)cn1 ZINC000357707972 487917551 /nfs/dbraw/zinc/91/75/51/487917551.db2.gz KRVFJKYNYOOKCF-JTQLQIEISA-N 0 3 246.276 3.307 20 0 BGADHN CC[C@@H](NCCC(C)(F)F)c1ccc(F)cn1 ZINC000357707973 487917004 /nfs/dbraw/zinc/91/70/04/487917004.db2.gz KRVFJKYNYOOKCF-SNVBAGLBSA-N 0 3 246.276 3.307 20 0 BGADHN COc1ccc(C)cc1CNCCC(C)(F)F ZINC000357711766 175075939 /nfs/dbraw/zinc/07/59/39/175075939.db2.gz ALFLKQCOZNLDID-UHFFFAOYSA-N 0 3 243.297 3.139 20 0 BGADHN Cc1cc(CNCCC(C)(F)F)ccc1F ZINC000357718551 178019887 /nfs/dbraw/zinc/01/98/87/178019887.db2.gz WOBAZFKEQZCRBE-UHFFFAOYSA-N 0 3 231.261 3.269 20 0 BGADHN COc1cccc(CN2C[C@H](C)CCC[C@H]2C)n1 ZINC000357719342 175261079 /nfs/dbraw/zinc/26/10/79/175261079.db2.gz ZDXUNXDCAUNVTR-CHWSQXEVSA-N 0 3 248.370 3.101 20 0 BGADHN COc1cccc(CN2C[C@H](C)CCC[C@@H]2C)n1 ZINC000357719344 175261731 /nfs/dbraw/zinc/26/17/31/175261731.db2.gz ZDXUNXDCAUNVTR-OLZOCXBDSA-N 0 3 248.370 3.101 20 0 BGADHN COc1cccc(CN2C[C@@H](C)CCC[C@H]2C)n1 ZINC000357719346 175259922 /nfs/dbraw/zinc/25/99/22/175259922.db2.gz ZDXUNXDCAUNVTR-QWHCGFSZSA-N 0 3 248.370 3.101 20 0 BGADHN COc1cccc(CN2C[C@@H](C)CCC[C@@H]2C)n1 ZINC000357719348 175260582 /nfs/dbraw/zinc/26/05/82/175260582.db2.gz ZDXUNXDCAUNVTR-STQMWFEESA-N 0 3 248.370 3.101 20 0 BGADHN CC(F)(F)CCNC/C=C\c1ccccc1 ZINC000357738995 167815992 /nfs/dbraw/zinc/81/59/92/167815992.db2.gz HLWNCJVVNLOPMO-YVMONPNESA-N 0 3 225.282 3.335 20 0 BGADHN CCC(C)(C)N(C)Cc1nc2ccccc2o1 ZINC000357740043 168288375 /nfs/dbraw/zinc/28/83/75/168288375.db2.gz KGWVEJIKOMSGIJ-UHFFFAOYSA-N 0 3 232.327 3.448 20 0 BGADHN Cc1ccc([C@@H](C)N[C@H](C(C)C)C(C)(C)O)o1 ZINC000357783072 386843008 /nfs/dbraw/zinc/84/30/08/386843008.db2.gz DMYKKXIXGPGZPG-DGCLKSJQSA-N 0 3 239.359 3.034 20 0 BGADHN Cc1ccc([C@H](C)N[C@H](C(C)C)C(C)(C)O)o1 ZINC000357783073 386842575 /nfs/dbraw/zinc/84/25/75/386842575.db2.gz DMYKKXIXGPGZPG-WCQYABFASA-N 0 3 239.359 3.034 20 0 BGADHN Cc1ccc([C@H](C)NCCc2nc(C)oc2C)o1 ZINC000357791079 386845640 /nfs/dbraw/zinc/84/56/40/386845640.db2.gz IFGMHGRCBQCILE-JTQLQIEISA-N 0 3 248.326 3.086 20 0 BGADHN Cc1ccc([C@@H](C)NCCc2nc(C)oc2C)o1 ZINC000357791080 386846622 /nfs/dbraw/zinc/84/66/22/386846622.db2.gz IFGMHGRCBQCILE-SNVBAGLBSA-N 0 3 248.326 3.086 20 0 BGADHN COc1cccc(CN2CCCC(C)(C)CC2)n1 ZINC000357808269 175256793 /nfs/dbraw/zinc/25/67/93/175256793.db2.gz OOVRFOHCEJZOQI-UHFFFAOYSA-N 0 3 248.370 3.102 20 0 BGADHN Oc1ccc2c(c1)CN(CCC1CCCC1)CC2 ZINC000357874318 183279904 /nfs/dbraw/zinc/27/99/04/183279904.db2.gz VLTJDQXQXZFZJL-UHFFFAOYSA-N 0 3 245.366 3.331 20 0 BGADHN COc1ccc(F)cc1CN(C)C1CCCC1 ZINC000357919769 175129172 /nfs/dbraw/zinc/12/91/72/175129172.db2.gz AOQVPHAFDYHZMZ-UHFFFAOYSA-N 0 3 237.318 3.209 20 0 BGADHN CCCCOCCN1Cc2ccccc2C[C@@H]1C ZINC000357952357 386871878 /nfs/dbraw/zinc/87/18/78/386871878.db2.gz RTDHRXVXSJFWMV-AWEZNQCLSA-N 0 3 247.382 3.250 20 0 BGADHN CCCCOCCN1Cc2ccccc2C[C@H]1C ZINC000357952358 386872388 /nfs/dbraw/zinc/87/23/88/386872388.db2.gz RTDHRXVXSJFWMV-CQSZACIVSA-N 0 3 247.382 3.250 20 0 BGADHN Cc1occc1CN[C@@H]1CC(C)(C)OC1(C)C ZINC000358016583 386879894 /nfs/dbraw/zinc/87/98/94/386879894.db2.gz GEORTEYZNHJGHX-GFCCVEGCSA-N 0 3 237.343 3.024 20 0 BGADHN Cc1occc1CN[C@H]1CC(C)(C)OC1(C)C ZINC000358016584 386879358 /nfs/dbraw/zinc/87/93/58/386879358.db2.gz GEORTEYZNHJGHX-LBPRGKRZSA-N 0 3 237.343 3.024 20 0 BGADHN CCN(CC)Cc1ccccc1SC ZINC000358030286 386880875 /nfs/dbraw/zinc/88/08/75/386880875.db2.gz GMEXQJVCRLENCG-UHFFFAOYSA-N 0 3 209.358 3.250 20 0 BGADHN CSc1ccccc1CN(C)C1CCC1 ZINC000358042251 386883225 /nfs/dbraw/zinc/88/32/25/386883225.db2.gz LFQXZAPHRUAMGX-UHFFFAOYSA-N 0 3 221.369 3.393 20 0 BGADHN CSc1ccccc1CN(C)CC1CC1 ZINC000358046823 386884057 /nfs/dbraw/zinc/88/40/57/386884057.db2.gz IZIMZPOYIBBJFM-UHFFFAOYSA-N 0 3 221.369 3.250 20 0 BGADHN CCCN(C)Cc1ccccc1SC ZINC000358049096 169082050 /nfs/dbraw/zinc/08/20/50/169082050.db2.gz NWONHUALRNSIBG-UHFFFAOYSA-N 0 3 209.358 3.250 20 0 BGADHN CSc1ccccc1CN1CCCC1 ZINC000358059332 386886174 /nfs/dbraw/zinc/88/61/74/386886174.db2.gz DUSZJNSSTJETNX-UHFFFAOYSA-N 0 3 207.342 3.004 20 0 BGADHN CSc1ccccc1CN(C)C1CC1 ZINC000358059443 386886627 /nfs/dbraw/zinc/88/66/27/386886627.db2.gz FFKNMHNQRNXAFW-UHFFFAOYSA-N 0 3 207.342 3.003 20 0 BGADHN CCN(Cc1ccccc1SC)C1CC1 ZINC000358070677 356860582 /nfs/dbraw/zinc/86/05/82/356860582.db2.gz VYEKUBUSVDQYIQ-UHFFFAOYSA-N 0 3 221.369 3.393 20 0 BGADHN CCc1ccc([C@@H](C)NCCC[C@@H](O)CC)o1 ZINC000358150672 171830604 /nfs/dbraw/zinc/83/06/04/171830604.db2.gz IJNLCDCRZBCAPQ-NEPJUHHUSA-N 0 3 239.359 3.044 20 0 BGADHN CCc1ccc([C@H](C)NCCC[C@H](O)CC)o1 ZINC000358150673 171838468 /nfs/dbraw/zinc/83/84/68/171838468.db2.gz IJNLCDCRZBCAPQ-NWDGAFQWSA-N 0 3 239.359 3.044 20 0 BGADHN CCc1ccc([C@H](C)NCCC[C@@H](O)CC)o1 ZINC000358150674 386901656 /nfs/dbraw/zinc/90/16/56/386901656.db2.gz IJNLCDCRZBCAPQ-RYUDHWBXSA-N 0 3 239.359 3.044 20 0 BGADHN CCc1ccc([C@@H](C)NCCC[C@H](O)CC)o1 ZINC000358150675 171829651 /nfs/dbraw/zinc/82/96/51/171829651.db2.gz IJNLCDCRZBCAPQ-VXGBXAGGSA-N 0 3 239.359 3.044 20 0 BGADHN CC[C@H](O)CCCN[C@H](C)c1ccccc1F ZINC000358154096 384698313 /nfs/dbraw/zinc/69/83/13/384698313.db2.gz MTINMRQGPMIRHH-NEPJUHHUSA-N 0 3 239.334 3.027 20 0 BGADHN CC[C@@H](O)CCCN[C@@H](C)c1ccccc1F ZINC000358154099 345066231 /nfs/dbraw/zinc/06/62/31/345066231.db2.gz MTINMRQGPMIRHH-NWDGAFQWSA-N 0 3 239.334 3.027 20 0 BGADHN CC[C@H](O)CCCN[C@@H](C)c1ccccc1F ZINC000358154101 384698982 /nfs/dbraw/zinc/69/89/82/384698982.db2.gz MTINMRQGPMIRHH-RYUDHWBXSA-N 0 3 239.334 3.027 20 0 BGADHN CC[C@@H](O)CCCN[C@H](C)c1ccccc1F ZINC000358154106 345066844 /nfs/dbraw/zinc/06/68/44/345066844.db2.gz MTINMRQGPMIRHH-VXGBXAGGSA-N 0 3 239.334 3.027 20 0 BGADHN Fc1ccc2c(c1)[C@H](NCCC(F)(F)F)CC2 ZINC000358180489 538837979 /nfs/dbraw/zinc/83/79/79/538837979.db2.gz AESKECRDHSJONP-LLVKDONJSA-N 0 3 247.235 3.355 20 0 BGADHN Fc1ccc2c(c1)[C@@H](NCCC(F)(F)F)CC2 ZINC000358180495 538838506 /nfs/dbraw/zinc/83/85/06/538838506.db2.gz AESKECRDHSJONP-NSHDSACASA-N 0 3 247.235 3.355 20 0 BGADHN CC1CC(N[C@@H]2CCCOc3ccc(F)cc32)C1 ZINC000358182542 168147428 /nfs/dbraw/zinc/14/74/28/168147428.db2.gz CLDHVGWQCLKMBV-MMWSSPAHSA-N 0 3 249.329 3.428 20 0 BGADHN CC1CC(N[C@H]2CCCOc3ccc(F)cc32)C1 ZINC000358182543 168148266 /nfs/dbraw/zinc/14/82/66/168148266.db2.gz CLDHVGWQCLKMBV-OVGLSYRBSA-N 0 3 249.329 3.428 20 0 BGADHN CC1CC(N[C@@H]2CCc3c2c(F)ccc3F)C1 ZINC000358184008 168148261 /nfs/dbraw/zinc/14/82/61/168148261.db2.gz FPZYFEHYGYUMDX-KJHLLKJSSA-N 0 3 237.293 3.340 20 0 BGADHN CC1CC(N[C@H]2CCc3c2c(F)ccc3F)C1 ZINC000358184009 168148656 /nfs/dbraw/zinc/14/86/56/168148656.db2.gz FPZYFEHYGYUMDX-RPTIHFLNSA-N 0 3 237.293 3.340 20 0 BGADHN CC(C)n1cc([C@@H](C)NCCC(F)(F)F)cn1 ZINC000358184595 386909158 /nfs/dbraw/zinc/90/91/58/386909158.db2.gz FRRYLZRATQHGAY-SECBINFHSA-N 0 3 249.280 3.067 20 0 BGADHN CC(C)n1cc([C@H](C)NCCC(F)(F)F)cn1 ZINC000358184597 386908909 /nfs/dbraw/zinc/90/89/09/386908909.db2.gz FRRYLZRATQHGAY-VIFPVBQESA-N 0 3 249.280 3.067 20 0 BGADHN COC[C@H](NC1CCCC1)c1ccc(F)cc1 ZINC000358200508 386913463 /nfs/dbraw/zinc/91/34/63/386913463.db2.gz ILLMXYDYUNNLHC-AWEZNQCLSA-N 0 3 237.318 3.045 20 0 BGADHN COC[C@@H](NC1CCCC1)c1ccc(F)cc1 ZINC000358200510 386913097 /nfs/dbraw/zinc/91/30/97/386913097.db2.gz ILLMXYDYUNNLHC-CQSZACIVSA-N 0 3 237.318 3.045 20 0 BGADHN CC1(CN[C@@H]2CCCOc3ccc(F)cc32)CC1 ZINC000358201228 168045656 /nfs/dbraw/zinc/04/56/56/168045656.db2.gz JPKAPNXKJODVMD-CYBMUJFWSA-N 0 3 249.329 3.429 20 0 BGADHN CC1(CN[C@H]2CCCOc3ccc(F)cc32)CC1 ZINC000358201236 168046381 /nfs/dbraw/zinc/04/63/81/168046381.db2.gz JPKAPNXKJODVMD-ZDUSSCGKSA-N 0 3 249.329 3.429 20 0 BGADHN COc1ccc(F)cc1[C@H](C)NCCC1CC1 ZINC000358211915 175133864 /nfs/dbraw/zinc/13/38/64/175133864.db2.gz ZXZNHTIDTLTXDB-JTQLQIEISA-N 0 3 237.318 3.285 20 0 BGADHN COc1ccc(F)cc1[C@@H](C)NCCC1CC1 ZINC000358211916 175131956 /nfs/dbraw/zinc/13/19/56/175131956.db2.gz ZXZNHTIDTLTXDB-SNVBAGLBSA-N 0 3 237.318 3.285 20 0 BGADHN CC[C@@]1(C)C[C@@H]1C(=O)Nc1cc(C2CC2)ccn1 ZINC000358222559 171207091 /nfs/dbraw/zinc/20/70/91/171207091.db2.gz HIJPNYQTAJQHGH-DOMZBBRYSA-N 0 3 244.338 3.334 20 0 BGADHN C[C@@H](NCc1cccc(OC(C)(C)C)n1)C1CC1 ZINC000358244056 386919403 /nfs/dbraw/zinc/91/94/03/386919403.db2.gz YLJVCCAGWVQBFR-LLVKDONJSA-N 0 3 248.370 3.147 20 0 BGADHN C[C@H](NCc1cccc(OC(C)(C)C)n1)C1CC1 ZINC000358244059 386920154 /nfs/dbraw/zinc/92/01/54/386920154.db2.gz YLJVCCAGWVQBFR-NSHDSACASA-N 0 3 248.370 3.147 20 0 BGADHN CC[C@H](C)[C@@H](C)N[C@@H](C)c1nnc(C(C)C)[nH]1 ZINC000358251731 171367094 /nfs/dbraw/zinc/36/70/94/171367094.db2.gz RDAVWCFBEBLMHO-AXFHLTTASA-N 0 3 238.379 3.013 20 0 BGADHN CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1nnc(C(C)C)[n-]1 ZINC000358251731 171367092 /nfs/dbraw/zinc/36/70/92/171367092.db2.gz RDAVWCFBEBLMHO-AXFHLTTASA-N 0 3 238.379 3.013 20 0 BGADHN CC[C@H](C)[C@H](C)N[C@@H](C)c1nnc(C(C)C)[nH]1 ZINC000358251734 171390221 /nfs/dbraw/zinc/39/02/21/171390221.db2.gz RDAVWCFBEBLMHO-DCAQKATOSA-N 0 3 238.379 3.013 20 0 BGADHN CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1nnc(C(C)C)[n-]1 ZINC000358251734 171390220 /nfs/dbraw/zinc/39/02/20/171390220.db2.gz RDAVWCFBEBLMHO-DCAQKATOSA-N 0 3 238.379 3.013 20 0 BGADHN CC[C@H](C)[C@H](C)N[C@H](C)c1nnc(C(C)C)[nH]1 ZINC000358251735 171391572 /nfs/dbraw/zinc/39/15/72/171391572.db2.gz RDAVWCFBEBLMHO-GARJFASQSA-N 0 3 238.379 3.013 20 0 BGADHN CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1nnc(C(C)C)[n-]1 ZINC000358251735 171391571 /nfs/dbraw/zinc/39/15/71/171391571.db2.gz RDAVWCFBEBLMHO-GARJFASQSA-N 0 3 238.379 3.013 20 0 BGADHN CC[C@H](C)[C@@H](C)N[C@H](C)c1nnc(C(C)C)[nH]1 ZINC000358251738 171366688 /nfs/dbraw/zinc/36/66/88/171366688.db2.gz RDAVWCFBEBLMHO-HBNTYKKESA-N 0 3 238.379 3.013 20 0 BGADHN CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1nnc(C(C)C)[n-]1 ZINC000358251738 171366686 /nfs/dbraw/zinc/36/66/86/171366686.db2.gz RDAVWCFBEBLMHO-HBNTYKKESA-N 0 3 238.379 3.013 20 0 BGADHN CCC1(CN[C@H](C)c2nccn2C)CCCCC1 ZINC000358257677 386921810 /nfs/dbraw/zinc/92/18/10/386921810.db2.gz UVMIZORPVOEOFK-CYBMUJFWSA-N 0 3 249.402 3.431 20 0 BGADHN CCC1(CN[C@@H](C)c2nccn2C)CCCCC1 ZINC000358257678 386922250 /nfs/dbraw/zinc/92/22/50/386922250.db2.gz UVMIZORPVOEOFK-ZDUSSCGKSA-N 0 3 249.402 3.431 20 0 BGADHN C[C@@H](N[C@@H]1COc2ccc(F)cc21)C1CCC1 ZINC000358261358 386923006 /nfs/dbraw/zinc/92/30/06/386923006.db2.gz XYOCOHQGWLSCSX-NOZJJQNGSA-N 0 3 235.302 3.037 20 0 BGADHN C[C@@H](N[C@H]1COc2ccc(F)cc21)C1CCC1 ZINC000358261361 386924142 /nfs/dbraw/zinc/92/41/42/386924142.db2.gz XYOCOHQGWLSCSX-RNCFNFMXSA-N 0 3 235.302 3.037 20 0 BGADHN C[C@H](N[C@@H]1COc2ccc(F)cc21)C1CCC1 ZINC000358261363 386924272 /nfs/dbraw/zinc/92/42/72/386924272.db2.gz XYOCOHQGWLSCSX-TVQRCGJNSA-N 0 3 235.302 3.037 20 0 BGADHN C[C@H](N[C@H]1COc2ccc(F)cc21)C1CCC1 ZINC000358261364 386924345 /nfs/dbraw/zinc/92/43/45/386924345.db2.gz XYOCOHQGWLSCSX-ZANVPECISA-N 0 3 235.302 3.037 20 0 BGADHN CC[C@@H](C)NCc1cccc(OC(C)(C)C)n1 ZINC000358262999 386923648 /nfs/dbraw/zinc/92/36/48/386923648.db2.gz GEYMUCOHJUXPAC-LLVKDONJSA-N 0 3 236.359 3.147 20 0 BGADHN CC[C@H](C)NCc1cccc(OC(C)(C)C)n1 ZINC000358263001 171342724 /nfs/dbraw/zinc/34/27/24/171342724.db2.gz GEYMUCOHJUXPAC-NSHDSACASA-N 0 3 236.359 3.147 20 0 BGADHN CSc1ccccc1CSCCN(C)C ZINC000358267764 386924557 /nfs/dbraw/zinc/92/45/57/386924557.db2.gz YMPLXYXLGLYKBB-UHFFFAOYSA-N 0 3 241.425 3.203 20 0 BGADHN COc1ccc(CN[C@@H](C)C2(C)CC2)c(F)c1 ZINC000358288748 175108465 /nfs/dbraw/zinc/10/84/65/175108465.db2.gz OCXBLIOIEDAWNC-JTQLQIEISA-N 0 3 237.318 3.113 20 0 BGADHN COc1ccc(CN[C@H](C)C2(C)CC2)c(F)c1 ZINC000358288749 175110967 /nfs/dbraw/zinc/11/09/67/175110967.db2.gz OCXBLIOIEDAWNC-SNVBAGLBSA-N 0 3 237.318 3.113 20 0 BGADHN CC1(C)CCC(N[C@@H]2CCCc3c[nH]nc32)CC1 ZINC000358289703 386927542 /nfs/dbraw/zinc/92/75/42/386927542.db2.gz DFJXBXFSWNXVTG-CYBMUJFWSA-N 0 3 247.386 3.346 20 0 BGADHN CC1(C)CCC(N[C@H]2CCCc3c[nH]nc32)CC1 ZINC000358289705 386927666 /nfs/dbraw/zinc/92/76/66/386927666.db2.gz DFJXBXFSWNXVTG-ZDUSSCGKSA-N 0 3 247.386 3.346 20 0 BGADHN COC[C@@H](C)N[C@@H](C)c1cc(C)c(F)c(C)c1 ZINC000358298199 384914174 /nfs/dbraw/zinc/91/41/74/384914174.db2.gz IECILTJQVZIOIY-NEPJUHHUSA-N 0 3 239.334 3.128 20 0 BGADHN COC[C@H](C)N[C@H](C)c1cc(C)c(F)c(C)c1 ZINC000358298202 384912923 /nfs/dbraw/zinc/91/29/23/384912923.db2.gz IECILTJQVZIOIY-NWDGAFQWSA-N 0 3 239.334 3.128 20 0 BGADHN COC[C@H](C)N[C@@H](C)c1cc(C)c(F)c(C)c1 ZINC000358298204 384915074 /nfs/dbraw/zinc/91/50/74/384915074.db2.gz IECILTJQVZIOIY-RYUDHWBXSA-N 0 3 239.334 3.128 20 0 BGADHN COC[C@@H](C)N[C@H](C)c1cc(C)c(F)c(C)c1 ZINC000358298205 384915028 /nfs/dbraw/zinc/91/50/28/384915028.db2.gz IECILTJQVZIOIY-VXGBXAGGSA-N 0 3 239.334 3.128 20 0 BGADHN Cc1cc(CN[C@@H]2CCC(C)(C)C[C@H]2C)ncn1 ZINC000358363306 178034074 /nfs/dbraw/zinc/03/40/74/178034074.db2.gz GQWYHKXZBAZUEN-BXUZGUMPSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1cc(CN[C@H]2CCC(C)(C)C[C@@H]2C)ncn1 ZINC000358363307 178038357 /nfs/dbraw/zinc/03/83/57/178038357.db2.gz GQWYHKXZBAZUEN-FZMZJTMJSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1cc(CN[C@H]2CCC(C)(C)C[C@H]2C)ncn1 ZINC000358363311 178040756 /nfs/dbraw/zinc/04/07/56/178040756.db2.gz GQWYHKXZBAZUEN-RISCZKNCSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1cc(CN[C@@H]2CCC(C)(C)C[C@@H]2C)ncn1 ZINC000358363313 178033108 /nfs/dbraw/zinc/03/31/08/178033108.db2.gz GQWYHKXZBAZUEN-SMDDNHRTSA-N 0 3 247.386 3.089 20 0 BGADHN COC1(CNc2cc(C)cc(C)n2)CCCC1 ZINC000358372343 174005151 /nfs/dbraw/zinc/00/51/51/174005151.db2.gz AZZXCFVBFXDSTH-UHFFFAOYSA-N 0 3 234.343 3.070 20 0 BGADHN C[C@H](NCC12CCC(CC1)C2)c1ccc(F)cn1 ZINC000358384380 386945887 /nfs/dbraw/zinc/94/58/87/386945887.db2.gz QEVVFEMVLMGZNV-BZUNDVKYSA-N 0 3 248.345 3.452 20 0 BGADHN C[C@@H](NCC12CCC(CC1)C2)c1ccc(F)cn1 ZINC000358384381 386944913 /nfs/dbraw/zinc/94/49/13/386944913.db2.gz QEVVFEMVLMGZNV-XIKARTHZSA-N 0 3 248.345 3.452 20 0 BGADHN CO[C@H](C)[C@@H](C)N[C@H](C)c1ccc(F)c(C)c1 ZINC000358391268 386947769 /nfs/dbraw/zinc/94/77/69/386947769.db2.gz YAKMCOJSZWGNGK-IJLUTSLNSA-N 0 3 239.334 3.208 20 0 BGADHN CO[C@H](C)[C@H](C)N[C@H](C)c1ccc(F)c(C)c1 ZINC000358391269 386948043 /nfs/dbraw/zinc/94/80/43/386948043.db2.gz YAKMCOJSZWGNGK-QJPTWQEYSA-N 0 3 239.334 3.208 20 0 BGADHN CCC(C)(C)N(C)Cc1cn2c(cccc2C)n1 ZINC000358421246 168285649 /nfs/dbraw/zinc/28/56/49/168285649.db2.gz DFADCMDGBKVGSB-UHFFFAOYSA-N 0 3 245.370 3.263 20 0 BGADHN CC[C@@]1(C)C[C@H]1C(=O)N(CC1CC1)C1CCC1 ZINC000358425676 171207129 /nfs/dbraw/zinc/20/71/29/171207129.db2.gz IPEFODKUVLEMRB-ZFWWWQNUSA-N 0 3 235.371 3.214 20 0 BGADHN CCc1cnccc1[C@@H](C)NCc1ccccc1 ZINC000358507949 356870408 /nfs/dbraw/zinc/87/04/08/356870408.db2.gz NPOHDOFQFVTOKX-CYBMUJFWSA-N 0 3 240.350 3.495 20 0 BGADHN CCc1cnccc1[C@H](C)NCc1ccccc1 ZINC000358507951 356870320 /nfs/dbraw/zinc/87/03/20/356870320.db2.gz NPOHDOFQFVTOKX-ZDUSSCGKSA-N 0 3 240.350 3.495 20 0 BGADHN CC[C@H](CSC)N(C)CCC(F)(F)F ZINC000358741565 387006100 /nfs/dbraw/zinc/00/61/00/387006100.db2.gz XDHLGYHYKBJBMZ-MRVPVSSYSA-N 0 3 229.311 3.012 20 0 BGADHN CC[C@@H](CSC)N(C)CCC(F)(F)F ZINC000358741577 387006169 /nfs/dbraw/zinc/00/61/69/387006169.db2.gz XDHLGYHYKBJBMZ-QMMMGPOBSA-N 0 3 229.311 3.012 20 0 BGADHN Cc1ccccc1SC[C@@H](C)N(C)C ZINC000358849091 387024727 /nfs/dbraw/zinc/02/47/27/387024727.db2.gz CIRBTUPVVJBVIS-LLVKDONJSA-N 0 3 209.358 3.037 20 0 BGADHN Cc1ccccc1SC[C@H](C)N(C)C ZINC000358849094 387023547 /nfs/dbraw/zinc/02/35/47/387023547.db2.gz CIRBTUPVVJBVIS-NSHDSACASA-N 0 3 209.358 3.037 20 0 BGADHN C[C@H](CSc1ccc2ccccc2n1)N(C)C ZINC000358849184 387024488 /nfs/dbraw/zinc/02/44/88/387024488.db2.gz DFXIMZOKGZLSFA-LLVKDONJSA-N 0 3 246.379 3.277 20 0 BGADHN C[C@@H](CSc1ccc2ccccc2n1)N(C)C ZINC000358849185 387024575 /nfs/dbraw/zinc/02/45/75/387024575.db2.gz DFXIMZOKGZLSFA-NSHDSACASA-N 0 3 246.379 3.277 20 0 BGADHN C[C@H](CSc1ccc(F)c(F)c1)N(C)C ZINC000358851015 387024193 /nfs/dbraw/zinc/02/41/93/387024193.db2.gz HTBYEHZVAITVJX-MRVPVSSYSA-N 0 3 231.311 3.007 20 0 BGADHN C[C@@H](CSc1ccc(F)c(F)c1)N(C)C ZINC000358851023 387024336 /nfs/dbraw/zinc/02/43/36/387024336.db2.gz HTBYEHZVAITVJX-QMMMGPOBSA-N 0 3 231.311 3.007 20 0 BGADHN C[C@H](CSc1ncc(C(C)(C)C)o1)N(C)C ZINC000358851442 387023627 /nfs/dbraw/zinc/02/36/27/387023627.db2.gz CFYYUFHZZRPQKQ-SECBINFHSA-N 0 3 242.388 3.014 20 0 BGADHN C[C@@H](CSc1ncc(C(C)(C)C)o1)N(C)C ZINC000358851445 387024108 /nfs/dbraw/zinc/02/41/08/387024108.db2.gz CFYYUFHZZRPQKQ-VIFPVBQESA-N 0 3 242.388 3.014 20 0 BGADHN C[C@H](CSc1ccc2c(c1)CCC2)N(C)C ZINC000358851695 387023884 /nfs/dbraw/zinc/02/38/84/387023884.db2.gz HUKMUMKCDMPOMJ-LLVKDONJSA-N 0 3 235.396 3.218 20 0 BGADHN C[C@@H](CSc1ccc2c(c1)CCC2)N(C)C ZINC000358851696 387023841 /nfs/dbraw/zinc/02/38/41/387023841.db2.gz HUKMUMKCDMPOMJ-NSHDSACASA-N 0 3 235.396 3.218 20 0 BGADHN Cc1cccc(SC[C@@H](C)N(C)C)c1 ZINC000358854070 179177028 /nfs/dbraw/zinc/17/70/28/179177028.db2.gz OIKJEUGBLSVDFY-LLVKDONJSA-N 0 3 209.358 3.037 20 0 BGADHN Cc1cccc(SC[C@H](C)N(C)C)c1 ZINC000358854071 179177380 /nfs/dbraw/zinc/17/73/80/179177380.db2.gz OIKJEUGBLSVDFY-NSHDSACASA-N 0 3 209.358 3.037 20 0 BGADHN C[C@H](CSc1ccccc1Cl)N(C)C ZINC000358854561 387024367 /nfs/dbraw/zinc/02/43/67/387024367.db2.gz PALAKUYARSDKMU-SECBINFHSA-N 0 3 229.776 3.382 20 0 BGADHN C[C@@H](CSc1ccccc1Cl)N(C)C ZINC000358854562 387023474 /nfs/dbraw/zinc/02/34/74/387023474.db2.gz PALAKUYARSDKMU-VIFPVBQESA-N 0 3 229.776 3.382 20 0 BGADHN C[C@H](CSc1ccc(Cl)cc1)N(C)C ZINC000358855165 387024834 /nfs/dbraw/zinc/02/48/34/387024834.db2.gz QSHBSIOWZQHMJF-SECBINFHSA-N 0 3 229.776 3.382 20 0 BGADHN C[C@@H](CSc1ccc(Cl)cc1)N(C)C ZINC000358855166 387024090 /nfs/dbraw/zinc/02/40/90/387024090.db2.gz QSHBSIOWZQHMJF-VIFPVBQESA-N 0 3 229.776 3.382 20 0 BGADHN C[C@H](CSc1cc(F)ccc1F)N(C)C ZINC000358855836 387023762 /nfs/dbraw/zinc/02/37/62/387023762.db2.gz UPNPJJVEPJLZDI-MRVPVSSYSA-N 0 3 231.311 3.007 20 0 BGADHN C[C@@H](CSc1cc(F)ccc1F)N(C)C ZINC000358855838 387024809 /nfs/dbraw/zinc/02/48/09/387024809.db2.gz UPNPJJVEPJLZDI-QMMMGPOBSA-N 0 3 231.311 3.007 20 0 BGADHN C[C@H](CSc1ccc(F)cc1F)N(C)C ZINC000358858430 387023871 /nfs/dbraw/zinc/02/38/71/387023871.db2.gz OBYINRXELSQKEW-MRVPVSSYSA-N 0 3 231.311 3.007 20 0 BGADHN C[C@@H](CSc1ccc(F)cc1F)N(C)C ZINC000358858431 387024984 /nfs/dbraw/zinc/02/49/84/387024984.db2.gz OBYINRXELSQKEW-QMMMGPOBSA-N 0 3 231.311 3.007 20 0 BGADHN C[C@H](CSc1cccc(Cl)c1)N(C)C ZINC000358861416 387025632 /nfs/dbraw/zinc/02/56/32/387025632.db2.gz NPCATFFHYPEJLI-SECBINFHSA-N 0 3 229.776 3.382 20 0 BGADHN C[C@@H](CSc1cccc(Cl)c1)N(C)C ZINC000358861419 387025574 /nfs/dbraw/zinc/02/55/74/387025574.db2.gz NPCATFFHYPEJLI-VIFPVBQESA-N 0 3 229.776 3.382 20 0 BGADHN Cc1ccc(SC[C@@H](C)N(C)C)cc1 ZINC000358862144 323353074 /nfs/dbraw/zinc/35/30/74/323353074.db2.gz ORQSLJBCUGETBH-LLVKDONJSA-N 0 3 209.358 3.037 20 0 BGADHN Cc1ccc(SC[C@H](C)N(C)C)cc1 ZINC000358862148 387025464 /nfs/dbraw/zinc/02/54/64/387025464.db2.gz ORQSLJBCUGETBH-NSHDSACASA-N 0 3 209.358 3.037 20 0 BGADHN C[C@H](CSc1ccnc2ccccc21)N(C)C ZINC000358892182 387028723 /nfs/dbraw/zinc/02/87/23/387028723.db2.gz ZNVKOCLMLAZERC-LLVKDONJSA-N 0 3 246.379 3.277 20 0 BGADHN C[C@@H](CSc1ccnc2ccccc21)N(C)C ZINC000358892183 387029323 /nfs/dbraw/zinc/02/93/23/387029323.db2.gz ZNVKOCLMLAZERC-NSHDSACASA-N 0 3 246.379 3.277 20 0 BGADHN CC(C)(CNCc1cc[nH]n1)C1=CCCCC1 ZINC000358965230 188068526 /nfs/dbraw/zinc/06/85/26/188068526.db2.gz MOUVMJBGSVOGMC-UHFFFAOYSA-N 0 3 233.359 3.026 20 0 BGADHN Cc1ccoc1CNC1(Cc2ccccc2)CC1 ZINC000358965663 397945135 /nfs/dbraw/zinc/94/51/35/397945135.db2.gz MXYSTRJXKHZNKW-UHFFFAOYSA-N 0 3 241.334 3.453 20 0 BGADHN Cc1n[nH]cc1CNCc1cccc(C(C)C)c1 ZINC000358967514 384349306 /nfs/dbraw/zinc/34/93/06/384349306.db2.gz SWZDZRWEXQQZDE-UHFFFAOYSA-N 0 3 243.354 3.131 20 0 BGADHN CC(C)c1cccc(CNCc2ccn(C)c2)c1 ZINC000358968060 397946126 /nfs/dbraw/zinc/94/61/26/397946126.db2.gz QPBRSQSGVJALEY-UHFFFAOYSA-N 0 3 242.366 3.438 20 0 BGADHN CC(C)(CNCc1ncc[nH]1)C1=CCCCC1 ZINC000358969541 187893658 /nfs/dbraw/zinc/89/36/58/187893658.db2.gz SACFSPFNSLFDDE-UHFFFAOYSA-N 0 3 233.359 3.026 20 0 BGADHN CC(C)c1cccc(CNCc2cc[nH]c2)c1 ZINC000358973962 387039341 /nfs/dbraw/zinc/03/93/41/387039341.db2.gz XXGVTMWLAKMKQB-UHFFFAOYSA-N 0 3 228.339 3.428 20 0 BGADHN CC(C)c1cccc(CNCc2ccncc2)c1 ZINC000358976679 387039867 /nfs/dbraw/zinc/03/98/67/387039867.db2.gz AFZAVBLXAOYZAY-UHFFFAOYSA-N 0 3 240.350 3.495 20 0 BGADHN Cn1ccnc1CNCC(C)(C)C1=CCCCC1 ZINC000358982751 387040436 /nfs/dbraw/zinc/04/04/36/387040436.db2.gz HHCTXKMLDAHYNI-UHFFFAOYSA-N 0 3 247.386 3.036 20 0 BGADHN CC(C)c1cccc(CNCc2cccnc2)c1 ZINC000358987401 387041364 /nfs/dbraw/zinc/04/13/64/387041364.db2.gz LEEWIYSPIFRICY-UHFFFAOYSA-N 0 3 240.350 3.495 20 0 BGADHN CC[C@@H](NCCC1(C)CC1)c1ccc(F)cn1 ZINC000358989415 387041250 /nfs/dbraw/zinc/04/12/50/387041250.db2.gz RFOWQJNAWJSCOD-GFCCVEGCSA-N 0 3 236.334 3.452 20 0 BGADHN CC[C@H](NCCC1(C)CC1)c1ccc(F)cn1 ZINC000358989416 387041259 /nfs/dbraw/zinc/04/12/59/387041259.db2.gz RFOWQJNAWJSCOD-LBPRGKRZSA-N 0 3 236.334 3.452 20 0 BGADHN Cc1ccncc1[C@H](C)NCC1(C(F)F)CC1 ZINC000358992747 384390995 /nfs/dbraw/zinc/39/09/95/384390995.db2.gz AAJMSKWRQVGFAQ-JTQLQIEISA-N 0 3 240.297 3.086 20 0 BGADHN Cc1ccncc1[C@@H](C)NCC1(C(F)F)CC1 ZINC000358992777 384393297 /nfs/dbraw/zinc/39/32/97/384393297.db2.gz AAJMSKWRQVGFAQ-SNVBAGLBSA-N 0 3 240.297 3.086 20 0 BGADHN CCCc1cccc(CNCc2ccn(C)c2)c1 ZINC000358996842 387041552 /nfs/dbraw/zinc/04/15/52/387041552.db2.gz CSRLLHVCAAJYNI-UHFFFAOYSA-N 0 3 242.366 3.267 20 0 BGADHN Cc1cncc([C@H](C)NCC2(C(F)F)CC2)c1 ZINC000358998516 387042214 /nfs/dbraw/zinc/04/22/14/387042214.db2.gz HWHDAURWEIYSIL-JTQLQIEISA-N 0 3 240.297 3.086 20 0 BGADHN Cc1cncc([C@@H](C)NCC2(C(F)F)CC2)c1 ZINC000358998518 387041456 /nfs/dbraw/zinc/04/14/56/387041456.db2.gz HWHDAURWEIYSIL-SNVBAGLBSA-N 0 3 240.297 3.086 20 0 BGADHN CC(C)(CNCc1cncnc1)C1=CCCCC1 ZINC000358998822 538848390 /nfs/dbraw/zinc/84/83/90/538848390.db2.gz WHPDBWIJNMUDJG-UHFFFAOYSA-N 0 3 245.370 3.093 20 0 BGADHN FC(F)C1(CN[C@H]2CCCc3occc32)CC1 ZINC000359001561 180899154 /nfs/dbraw/zinc/89/91/54/180899154.db2.gz MDMUJOFQUANMMD-JTQLQIEISA-N 0 3 241.281 3.292 20 0 BGADHN FC(F)C1(CN[C@@H]2CCCc3occc32)CC1 ZINC000359001562 384400637 /nfs/dbraw/zinc/40/06/37/384400637.db2.gz MDMUJOFQUANMMD-SNVBAGLBSA-N 0 3 241.281 3.292 20 0 BGADHN CC1=CCC[C@@H](C)[C@H]1CNCc1ccc(F)cn1 ZINC000359012103 168102480 /nfs/dbraw/zinc/10/24/80/168102480.db2.gz CRSPYVKVSJLPSG-DOMZBBRYSA-N 0 3 248.345 3.303 20 0 BGADHN CC1=CCC[C@@H](C)[C@@H]1CNCc1ccc(F)cn1 ZINC000359012104 168101810 /nfs/dbraw/zinc/10/18/10/168101810.db2.gz CRSPYVKVSJLPSG-IUODEOHRSA-N 0 3 248.345 3.303 20 0 BGADHN CC1=CCC[C@H](C)[C@@H]1CNCc1ccc(F)cn1 ZINC000359012105 168103697 /nfs/dbraw/zinc/10/36/97/168103697.db2.gz CRSPYVKVSJLPSG-SWLSCSKDSA-N 0 3 248.345 3.303 20 0 BGADHN CC1=CCC[C@H](C)[C@H]1CNCc1ccc(F)cn1 ZINC000359012107 168104757 /nfs/dbraw/zinc/10/47/57/168104757.db2.gz CRSPYVKVSJLPSG-WFASDCNBSA-N 0 3 248.345 3.303 20 0 BGADHN C[C@@H](NCC1(C)CCC(C)CC1)c1nccn1C ZINC000359031860 168150671 /nfs/dbraw/zinc/15/06/71/168150671.db2.gz QONBTVGVSNFSID-JVWICGRDSA-N 0 3 249.402 3.287 20 0 BGADHN C[C@H](NCC1(C)CCC(C)CC1)c1nccn1C ZINC000359031867 168150703 /nfs/dbraw/zinc/15/07/03/168150703.db2.gz QONBTVGVSNFSID-OWYJLGKBSA-N 0 3 249.402 3.287 20 0 BGADHN C[C@@H](NCC1(C)CCC(C)CC1)c1cnccn1 ZINC000359036712 168151115 /nfs/dbraw/zinc/15/11/15/168151115.db2.gz MTIZMHWJUIMANZ-JVWICGRDSA-N 0 3 247.386 3.344 20 0 BGADHN C[C@H](NCC1(C)CCC(C)CC1)c1cnccn1 ZINC000359036715 168150821 /nfs/dbraw/zinc/15/08/21/168150821.db2.gz MTIZMHWJUIMANZ-OWYJLGKBSA-N 0 3 247.386 3.344 20 0 BGADHN C[C@@H](N[C@H](CO)CCC(C)(C)C)c1ccco1 ZINC000359071131 387053099 /nfs/dbraw/zinc/05/30/99/387053099.db2.gz PJGMDGWRIGZTDT-NEPJUHHUSA-N 0 3 239.359 3.117 20 0 BGADHN C[C@H](N[C@@H](CO)CCC(C)(C)C)c1ccco1 ZINC000359071132 387051908 /nfs/dbraw/zinc/05/19/08/387051908.db2.gz PJGMDGWRIGZTDT-NWDGAFQWSA-N 0 3 239.359 3.117 20 0 BGADHN C[C@H](N[C@H](CO)CCC(C)(C)C)c1ccco1 ZINC000359071133 387052852 /nfs/dbraw/zinc/05/28/52/387052852.db2.gz PJGMDGWRIGZTDT-RYUDHWBXSA-N 0 3 239.359 3.117 20 0 BGADHN C[C@@H](N[C@@H](CO)CCC(C)(C)C)c1ccco1 ZINC000359071134 387051992 /nfs/dbraw/zinc/05/19/92/387051992.db2.gz PJGMDGWRIGZTDT-VXGBXAGGSA-N 0 3 239.359 3.117 20 0 BGADHN CC[C@@H](NCC1C(C)(C)C1(C)C)c1ccn(C)n1 ZINC000359075438 387053388 /nfs/dbraw/zinc/05/33/88/387053388.db2.gz SJQUWKJFMOTUTR-LLVKDONJSA-N 0 3 249.402 3.143 20 0 BGADHN CC[C@H](NCC1C(C)(C)C1(C)C)c1ccn(C)n1 ZINC000359075440 171518766 /nfs/dbraw/zinc/51/87/66/171518766.db2.gz SJQUWKJFMOTUTR-NSHDSACASA-N 0 3 249.402 3.143 20 0 BGADHN Cc1cc2[nH]c(CN3CCCC3)cc2c(C)c1 ZINC000359077033 387052452 /nfs/dbraw/zinc/05/24/52/387052452.db2.gz XARLJEQPXGYUCY-UHFFFAOYSA-N 0 3 228.339 3.381 20 0 BGADHN CC[C@@H](NCC1C(C)(C)C1(C)C)c1nccn1C ZINC000359077619 387051861 /nfs/dbraw/zinc/05/18/61/387051861.db2.gz ZAOAIORMWQZFDM-LLVKDONJSA-N 0 3 249.402 3.143 20 0 BGADHN CC[C@H](NCC1C(C)(C)C1(C)C)c1nccn1C ZINC000359077620 387051809 /nfs/dbraw/zinc/05/18/09/387051809.db2.gz ZAOAIORMWQZFDM-NSHDSACASA-N 0 3 249.402 3.143 20 0 BGADHN CCC1(C)CCN(Cc2cc(OC)ccn2)CC1 ZINC000359135197 168445428 /nfs/dbraw/zinc/44/54/28/168445428.db2.gz PUUCFGIIPVDMPU-UHFFFAOYSA-N 0 3 248.370 3.102 20 0 BGADHN COc1ccnc(CN(C)CC2CCCCC2)c1 ZINC000359136725 175358637 /nfs/dbraw/zinc/35/86/37/175358637.db2.gz SXIBKGWEJOVEKU-UHFFFAOYSA-N 0 3 248.370 3.102 20 0 BGADHN CN(C)CCSC[C@@H]1C[C@H]1c1ccccc1 ZINC000359161213 387063326 /nfs/dbraw/zinc/06/33/26/387063326.db2.gz LSVGDEBDRAYGGU-KBPBESRZSA-N 0 3 235.396 3.085 20 0 BGADHN CN(C)CCSC[C@H]1C[C@H]1c1ccccc1 ZINC000359161216 387062992 /nfs/dbraw/zinc/06/29/92/387062992.db2.gz LSVGDEBDRAYGGU-KGLIPLIRSA-N 0 3 235.396 3.085 20 0 BGADHN CN(C)CCSC[C@@H]1C[C@@H]1c1ccccc1 ZINC000359161218 387062718 /nfs/dbraw/zinc/06/27/18/387062718.db2.gz LSVGDEBDRAYGGU-UONOGXRCSA-N 0 3 235.396 3.085 20 0 BGADHN CN(C)CCSC[C@H]1C[C@@H]1c1ccccc1 ZINC000359161221 387063048 /nfs/dbraw/zinc/06/30/48/387063048.db2.gz LSVGDEBDRAYGGU-ZIAGYGMSSA-N 0 3 235.396 3.085 20 0 BGADHN CCCN(Cc1c(C)cc(OC)nc1C)C1CC1 ZINC000359217007 169172811 /nfs/dbraw/zinc/17/28/11/169172811.db2.gz CJAJUUIWHHOBBF-UHFFFAOYSA-N 0 3 248.370 3.081 20 0 BGADHN COc1cc(C)c(CN2CCCCCC2)c(C)n1 ZINC000359218143 387069276 /nfs/dbraw/zinc/06/92/76/387069276.db2.gz CRSWEFREWBJVBY-UHFFFAOYSA-N 0 3 248.370 3.083 20 0 BGADHN CC1(C)C[C@H]1N[C@H]1CCCOc2cc(F)ccc21 ZINC000359221485 188241203 /nfs/dbraw/zinc/24/12/03/188241203.db2.gz QTQICEPJMNWFAD-GXTWGEPZSA-N 0 3 249.329 3.428 20 0 BGADHN CC1(C)C[C@@H]1N[C@H]1CCCOc2cc(F)ccc21 ZINC000359221488 387069361 /nfs/dbraw/zinc/06/93/61/387069361.db2.gz QTQICEPJMNWFAD-JSGCOSHPSA-N 0 3 249.329 3.428 20 0 BGADHN CC1(C)C[C@@H]1N[C@@H]1CCCOc2cc(F)ccc21 ZINC000359221490 187215270 /nfs/dbraw/zinc/21/52/70/187215270.db2.gz QTQICEPJMNWFAD-OCCSQVGLSA-N 0 3 249.329 3.428 20 0 BGADHN CC1(C)C[C@H]1N[C@@H]1CCCOc2cc(F)ccc21 ZINC000359221493 387069928 /nfs/dbraw/zinc/06/99/28/387069928.db2.gz QTQICEPJMNWFAD-TZMCWYRMSA-N 0 3 249.329 3.428 20 0 BGADHN CCN(Cc1c(C)cc(OC)nc1C)C1CCC1 ZINC000359225636 387070169 /nfs/dbraw/zinc/07/01/69/387070169.db2.gz JEYSVRKPRATFRA-UHFFFAOYSA-N 0 3 248.370 3.081 20 0 BGADHN CCN[C@H](C)c1nc2ccccc2n1C(F)F ZINC000359272380 170159778 /nfs/dbraw/zinc/15/97/78/170159778.db2.gz MLTBYIJBKSNVAX-MRVPVSSYSA-N 0 3 239.269 3.102 20 0 BGADHN CCN[C@@H](C)c1nc2ccccc2n1C(F)F ZINC000359272438 170143175 /nfs/dbraw/zinc/14/31/75/170143175.db2.gz MLTBYIJBKSNVAX-QMMMGPOBSA-N 0 3 239.269 3.102 20 0 BGADHN Cn1cccc1CN[C@H](c1cccs1)C1CC1 ZINC000359291115 387079160 /nfs/dbraw/zinc/07/91/60/387079160.db2.gz QQKKSDWECLRUTG-AWEZNQCLSA-N 0 3 246.379 3.328 20 0 BGADHN Cn1cccc1CN[C@@H](c1cccs1)C1CC1 ZINC000359291117 387079763 /nfs/dbraw/zinc/07/97/63/387079763.db2.gz QQKKSDWECLRUTG-CQSZACIVSA-N 0 3 246.379 3.328 20 0 BGADHN C[C@H]1CC[C@@]2(CCN(Cc3cccnc3)C2)C1 ZINC000359299476 177196322 /nfs/dbraw/zinc/19/63/22/177196322.db2.gz LRWQIMBMKNZIFW-DZGCQCFKSA-N 0 3 230.355 3.094 20 0 BGADHN C[C@@H]1CC[C@]2(CCN(Cc3cccnc3)C2)C1 ZINC000359299479 176238519 /nfs/dbraw/zinc/23/85/19/176238519.db2.gz LRWQIMBMKNZIFW-HIFRSBDPSA-N 0 3 230.355 3.094 20 0 BGADHN C[C@@H]1CC[C@@]2(CCN(Cc3cccnc3)C2)C1 ZINC000359299482 176219061 /nfs/dbraw/zinc/21/90/61/176219061.db2.gz LRWQIMBMKNZIFW-UKRRQHHQSA-N 0 3 230.355 3.094 20 0 BGADHN C[C@H]1CC[C@]2(CCN(Cc3cccnc3)C2)C1 ZINC000359299484 177208762 /nfs/dbraw/zinc/20/87/62/177208762.db2.gz LRWQIMBMKNZIFW-ZFWWWQNUSA-N 0 3 230.355 3.094 20 0 BGADHN Cc1ccsc1CCN[C@H](C)c1ccccn1 ZINC000359301609 387080687 /nfs/dbraw/zinc/08/06/87/387080687.db2.gz KIAKYYAZVUZTJI-GFCCVEGCSA-N 0 3 246.379 3.345 20 0 BGADHN Cc1ccsc1CCN[C@@H](C)c1ccccn1 ZINC000359301610 387081864 /nfs/dbraw/zinc/08/18/64/387081864.db2.gz KIAKYYAZVUZTJI-LBPRGKRZSA-N 0 3 246.379 3.345 20 0 BGADHN Cc1ccc(CN2CC[C@]3(CC[C@H](C)C3)C2)nc1 ZINC000359302772 387081429 /nfs/dbraw/zinc/08/14/29/387081429.db2.gz OPFIVGMYSLONBN-BBRMVZONSA-N 0 3 244.382 3.402 20 0 BGADHN Cc1ccc(CN2CC[C@]3(CC[C@@H](C)C3)C2)nc1 ZINC000359302773 387080588 /nfs/dbraw/zinc/08/05/88/387080588.db2.gz OPFIVGMYSLONBN-CJNGLKHVSA-N 0 3 244.382 3.402 20 0 BGADHN Cc1ccc(CN2CC[C@@]3(CC[C@@H](C)C3)C2)nc1 ZINC000359302774 387080568 /nfs/dbraw/zinc/08/05/68/387080568.db2.gz OPFIVGMYSLONBN-CZUORRHYSA-N 0 3 244.382 3.402 20 0 BGADHN Cc1ccc(CN2CC[C@@]3(CC[C@H](C)C3)C2)nc1 ZINC000359302775 385199241 /nfs/dbraw/zinc/19/92/41/385199241.db2.gz OPFIVGMYSLONBN-XJKSGUPXSA-N 0 3 244.382 3.402 20 0 BGADHN C[C@H]1CC[C@@]2(CCN(Cc3ccco3)C2)C1 ZINC000359317276 177196439 /nfs/dbraw/zinc/19/64/39/177196439.db2.gz ZBBDCKRHPRANJB-GXTWGEPZSA-N 0 3 219.328 3.292 20 0 BGADHN C[C@H]1CC[C@]2(CCN(Cc3ccco3)C2)C1 ZINC000359317278 177207919 /nfs/dbraw/zinc/20/79/19/177207919.db2.gz ZBBDCKRHPRANJB-JSGCOSHPSA-N 0 3 219.328 3.292 20 0 BGADHN C[C@@H]1CC[C@]2(CCN(Cc3ccco3)C2)C1 ZINC000359317281 176238547 /nfs/dbraw/zinc/23/85/47/176238547.db2.gz ZBBDCKRHPRANJB-OCCSQVGLSA-N 0 3 219.328 3.292 20 0 BGADHN C[C@@H]1CC[C@@]2(CCN(Cc3ccco3)C2)C1 ZINC000359317286 176218832 /nfs/dbraw/zinc/21/88/32/176218832.db2.gz ZBBDCKRHPRANJB-TZMCWYRMSA-N 0 3 219.328 3.292 20 0 BGADHN FCCCCN[C@@H]1CCc2c1c(F)ccc2F ZINC000359413854 387097114 /nfs/dbraw/zinc/09/71/14/387097114.db2.gz GTMSXGJDTVFZFS-GFCCVEGCSA-N 0 3 243.272 3.291 20 0 BGADHN FCCCCN[C@H]1CCc2c1c(F)ccc2F ZINC000359413859 387098809 /nfs/dbraw/zinc/09/88/09/387098809.db2.gz GTMSXGJDTVFZFS-LBPRGKRZSA-N 0 3 243.272 3.291 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H](C)C[C@@H]2CCCO2)o1 ZINC000359518302 387116735 /nfs/dbraw/zinc/11/67/35/387116735.db2.gz YHQFMUYCSAJHEZ-DRZSPHRISA-N 0 3 237.343 3.196 20 0 BGADHN Cc1ccc([C@H](C)N[C@H](C)C[C@H]2CCCO2)o1 ZINC000359518303 387115935 /nfs/dbraw/zinc/11/59/35/387115935.db2.gz YHQFMUYCSAJHEZ-KGYLQXTDSA-N 0 3 237.343 3.196 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H](C)C[C@H]2CCCO2)o1 ZINC000359518305 387116490 /nfs/dbraw/zinc/11/64/90/387116490.db2.gz YHQFMUYCSAJHEZ-WCFLWFBJSA-N 0 3 237.343 3.196 20 0 BGADHN Cc1ccc([C@H](C)N[C@H](C)C[C@@H]2CCCO2)o1 ZINC000359518306 387116322 /nfs/dbraw/zinc/11/63/22/387116322.db2.gz YHQFMUYCSAJHEZ-WXHSDQCUSA-N 0 3 237.343 3.196 20 0 BGADHN CCN1[C@H](C)Cc2cc(OC)ccc2[C@H]1C ZINC000359530027 170041948 /nfs/dbraw/zinc/04/19/48/170041948.db2.gz CRBSWFGNDUUTIF-GHMZBOCLSA-N 0 3 219.328 3.023 20 0 BGADHN CCN1[C@H](C)Cc2cc(OC)ccc2[C@@H]1C ZINC000359530028 170041917 /nfs/dbraw/zinc/04/19/17/170041917.db2.gz CRBSWFGNDUUTIF-MNOVXSKESA-N 0 3 219.328 3.023 20 0 BGADHN CCN1[C@@H](C)Cc2cc(OC)ccc2[C@@H]1C ZINC000359530029 170041969 /nfs/dbraw/zinc/04/19/69/170041969.db2.gz CRBSWFGNDUUTIF-QWRGUYRKSA-N 0 3 219.328 3.023 20 0 BGADHN CCN1[C@H](C)c2ccc(OC)cc2C[C@@H]1C ZINC000359530030 170041432 /nfs/dbraw/zinc/04/14/32/170041432.db2.gz CRBSWFGNDUUTIF-WDEREUQCSA-N 0 3 219.328 3.023 20 0 BGADHN Cc1cccc(CN2CC[C@]3(CC[C@H](C)C3)C2)n1 ZINC000359551464 179081005 /nfs/dbraw/zinc/08/10/05/179081005.db2.gz FKIYZYISOWJJTK-BBRMVZONSA-N 0 3 244.382 3.402 20 0 BGADHN Cc1cccc(CN2CC[C@]3(CC[C@@H](C)C3)C2)n1 ZINC000359551469 179083038 /nfs/dbraw/zinc/08/30/38/179083038.db2.gz FKIYZYISOWJJTK-CJNGLKHVSA-N 0 3 244.382 3.402 20 0 BGADHN Cc1cccc(CN2CC[C@@]3(CC[C@@H](C)C3)C2)n1 ZINC000359551473 179082776 /nfs/dbraw/zinc/08/27/76/179082776.db2.gz FKIYZYISOWJJTK-CZUORRHYSA-N 0 3 244.382 3.402 20 0 BGADHN Cc1cccc(CN2CC[C@@]3(CC[C@H](C)C3)C2)n1 ZINC000359551478 179082248 /nfs/dbraw/zinc/08/22/48/179082248.db2.gz FKIYZYISOWJJTK-XJKSGUPXSA-N 0 3 244.382 3.402 20 0 BGADHN COc1cc(C)c(CNCC=C(C)C)cc1OC ZINC000359675473 387144952 /nfs/dbraw/zinc/14/49/52/387144952.db2.gz QMPRIGFDASNFLH-UHFFFAOYSA-N 0 3 249.354 3.068 20 0 BGADHN CCOCCN(C)[C@H](C)c1cc2ccccc2o1 ZINC000359687652 170391567 /nfs/dbraw/zinc/39/15/67/170391567.db2.gz IGYVERLUKHBAKQ-GFCCVEGCSA-N 0 3 247.338 3.462 20 0 BGADHN CCOCCN(C)[C@@H](C)c1cc2ccccc2o1 ZINC000359687661 170391210 /nfs/dbraw/zinc/39/12/10/170391210.db2.gz IGYVERLUKHBAKQ-LBPRGKRZSA-N 0 3 247.338 3.462 20 0 BGADHN COc1ccc(CNCCC=C(C)C)c(OC)c1 ZINC000359698770 175106746 /nfs/dbraw/zinc/10/67/46/175106746.db2.gz GMVHYKQUZGHHNJ-UHFFFAOYSA-N 0 3 249.354 3.150 20 0 BGADHN CC(C)=CCNCc1c[nH]nc1-c1ccsc1 ZINC000359699763 387150730 /nfs/dbraw/zinc/15/07/30/387150730.db2.gz KETOVMGDCMWQDF-UHFFFAOYSA-N 0 3 247.367 3.194 20 0 BGADHN COc1ccc(OC)c(CNCCC=C(C)C)c1 ZINC000359700554 175165192 /nfs/dbraw/zinc/16/51/92/175165192.db2.gz OQMAIILLGOUZSS-UHFFFAOYSA-N 0 3 249.354 3.150 20 0 BGADHN CN(C)CCSCc1cccc2cccnc21 ZINC000359775477 172475489 /nfs/dbraw/zinc/47/54/89/172475489.db2.gz ZZMSJYKPTDFZDN-UHFFFAOYSA-N 0 3 246.379 3.030 20 0 BGADHN Cn1ccc(CNCc2ccc(C3CC3)cc2)c1 ZINC000359804071 387167494 /nfs/dbraw/zinc/16/74/94/387167494.db2.gz SOUZALOVWBNHNZ-UHFFFAOYSA-N 0 3 240.350 3.192 20 0 BGADHN FC(F)C1(CNc2ccnc3ccccc32)CC1 ZINC000359819588 387169229 /nfs/dbraw/zinc/16/92/29/387169229.db2.gz QOLKNCUNMFBXPS-UHFFFAOYSA-N 0 3 248.276 3.114 20 0 BGADHN C[C@@H]1CO[C@@H](C)CN1CCCCc1ccccc1 ZINC000359834638 177250110 /nfs/dbraw/zinc/25/01/10/177250110.db2.gz HUQCBSUUQPPITF-CABCVRRESA-N 0 3 247.382 3.119 20 0 BGADHN C[C@H]1CN(CCCCc2ccccc2)[C@@H](C)CO1 ZINC000359834641 177249453 /nfs/dbraw/zinc/24/94/53/177249453.db2.gz HUQCBSUUQPPITF-GJZGRUSLSA-N 0 3 247.382 3.119 20 0 BGADHN C[C@@H]1CN(CCCCc2ccccc2)[C@H](C)CO1 ZINC000359834643 176289290 /nfs/dbraw/zinc/28/92/90/176289290.db2.gz HUQCBSUUQPPITF-HUUCEWRRSA-N 0 3 247.382 3.119 20 0 BGADHN C[C@@H]1CN(CCCCc2ccccc2)[C@@H](C)CO1 ZINC000359834646 177301742 /nfs/dbraw/zinc/30/17/42/177301742.db2.gz HUQCBSUUQPPITF-LSDHHAIUSA-N 0 3 247.382 3.119 20 0 BGADHN CCCCN(Cc1ccc(C)nc1C)C1CC1 ZINC000359841851 387174270 /nfs/dbraw/zinc/17/42/70/387174270.db2.gz VNOMMWLBOHZUBU-UHFFFAOYSA-N 0 3 232.371 3.463 20 0 BGADHN CCN(Cc1ccccc1)C[C@@H]1CCC(C)(C)O1 ZINC000359844620 356895596 /nfs/dbraw/zinc/89/55/96/356895596.db2.gz KLASVAACVVHXRP-HNNXBMFYSA-N 0 3 247.382 3.466 20 0 BGADHN CCN(Cc1ccccc1)C[C@H]1CCC(C)(C)O1 ZINC000359844621 356895722 /nfs/dbraw/zinc/89/57/22/356895722.db2.gz KLASVAACVVHXRP-OAHLLOKOSA-N 0 3 247.382 3.466 20 0 BGADHN Cc1ccc(CN(C)C[C@@H]2CCC(C)(C)O2)cc1 ZINC000359850347 384546147 /nfs/dbraw/zinc/54/61/47/384546147.db2.gz UIZLBIFYDDKGDP-HNNXBMFYSA-N 0 3 247.382 3.384 20 0 BGADHN Cc1ccc(CN(C)C[C@H]2CCC(C)(C)O2)cc1 ZINC000359850348 384545175 /nfs/dbraw/zinc/54/51/75/384545175.db2.gz UIZLBIFYDDKGDP-OAHLLOKOSA-N 0 3 247.382 3.384 20 0 BGADHN CCCCN1Cc2ccccc2OC[C@H]1C ZINC000359851830 387177541 /nfs/dbraw/zinc/17/75/41/387177541.db2.gz UYFHMTTVQGXDPN-GFCCVEGCSA-N 0 3 219.328 3.070 20 0 BGADHN CCCCN1Cc2ccccc2OC[C@@H]1C ZINC000359851831 387168692 /nfs/dbraw/zinc/16/86/92/387168692.db2.gz UYFHMTTVQGXDPN-LBPRGKRZSA-N 0 3 219.328 3.070 20 0 BGADHN CCN(Cc1ccc(C)nc1C)C1CCC1 ZINC000359855137 356895511 /nfs/dbraw/zinc/89/55/11/356895511.db2.gz JMJLRBSYCYHNQW-UHFFFAOYSA-N 0 3 218.344 3.073 20 0 BGADHN Cc1cccc(CN(C)C[C@@H]2CCC(C)(C)O2)c1 ZINC000359858135 179066045 /nfs/dbraw/zinc/06/60/45/179066045.db2.gz YOVMIVPDLUSOLR-HNNXBMFYSA-N 0 3 247.382 3.384 20 0 BGADHN Cc1cccc(CN(C)C[C@H]2CCC(C)(C)O2)c1 ZINC000359858136 179065126 /nfs/dbraw/zinc/06/51/26/179065126.db2.gz YOVMIVPDLUSOLR-OAHLLOKOSA-N 0 3 247.382 3.384 20 0 BGADHN CCC1CCN(Cc2ccc(C)nc2C)CC1 ZINC000359858171 397959498 /nfs/dbraw/zinc/95/94/98/397959498.db2.gz YUTLNXQYPNTFIT-UHFFFAOYSA-N 0 3 232.371 3.320 20 0 BGADHN Cc1ccc(C(=O)CCN2CCC23CCC3)cc1 ZINC000359876774 387182258 /nfs/dbraw/zinc/18/22/58/387182258.db2.gz NGDSMAASCWIHSH-UHFFFAOYSA-N 0 3 243.350 3.196 20 0 BGADHN CCc1ccc([C@H](C)N[C@@H]2CCO[C@@H]2C2CC2)o1 ZINC000359881552 387790380 /nfs/dbraw/zinc/79/03/80/387790380.db2.gz UTIBRNRBRSTZJN-PSOPSSQASA-N 0 3 249.354 3.060 20 0 BGADHN CCc1ccc([C@H](C)N[C@H]2CCO[C@@H]2C2CC2)o1 ZINC000359881553 387789726 /nfs/dbraw/zinc/78/97/26/387789726.db2.gz UTIBRNRBRSTZJN-VZJVUDMVSA-N 0 3 249.354 3.060 20 0 BGADHN CCc1ccc([C@H](C)N[C@H]2CCO[C@H]2C2CC2)o1 ZINC000359881554 387790580 /nfs/dbraw/zinc/79/05/80/387790580.db2.gz UTIBRNRBRSTZJN-XEGUGMAKSA-N 0 3 249.354 3.060 20 0 BGADHN CCc1ccc([C@H](C)N[C@@H]2CCO[C@H]2C2CC2)o1 ZINC000359881555 187395297 /nfs/dbraw/zinc/39/52/97/187395297.db2.gz UTIBRNRBRSTZJN-ZBINZKHDSA-N 0 3 249.354 3.060 20 0 BGADHN CC[C@@H](NCc1noc2c1CCCC2)C(C)C ZINC000359882977 358706382 /nfs/dbraw/zinc/70/63/82/358706382.db2.gz WTBWFIALEQLZKT-GFCCVEGCSA-N 0 3 236.359 3.078 20 0 BGADHN CC[C@H](NCc1noc2c1CCCC2)C(C)C ZINC000359882982 387790202 /nfs/dbraw/zinc/79/02/02/387790202.db2.gz WTBWFIALEQLZKT-LBPRGKRZSA-N 0 3 236.359 3.078 20 0 BGADHN Cc1ccc(CN(C)CC(C)(C)C)c(C)n1 ZINC000359889483 387184464 /nfs/dbraw/zinc/18/44/64/387184464.db2.gz ZBKHVAZAXQUMAL-UHFFFAOYSA-N 0 3 220.360 3.176 20 0 BGADHN C[C@@H]1COc2ccccc2CN1CCC1CC1 ZINC000359899348 176348121 /nfs/dbraw/zinc/34/81/21/176348121.db2.gz WDCTXAVWPJLLLU-GFCCVEGCSA-N 0 3 231.339 3.070 20 0 BGADHN C[C@H]1COc2ccccc2CN1CCC1CC1 ZINC000359899349 387185620 /nfs/dbraw/zinc/18/56/20/387185620.db2.gz WDCTXAVWPJLLLU-LBPRGKRZSA-N 0 3 231.339 3.070 20 0 BGADHN C[C@@H]1[C@H](C)OCCN1CCCCc1ccccc1 ZINC000359909845 387188627 /nfs/dbraw/zinc/18/86/27/387188627.db2.gz KDLSDYAIESTOGO-CABCVRRESA-N 0 3 247.382 3.119 20 0 BGADHN C[C@@H]1OCCN(CCCCc2ccccc2)[C@H]1C ZINC000359909846 387189160 /nfs/dbraw/zinc/18/91/60/387189160.db2.gz KDLSDYAIESTOGO-GJZGRUSLSA-N 0 3 247.382 3.119 20 0 BGADHN C[C@H]1OCCN(CCCCc2ccccc2)[C@@H]1C ZINC000359909848 177398693 /nfs/dbraw/zinc/39/86/93/177398693.db2.gz KDLSDYAIESTOGO-HUUCEWRRSA-N 0 3 247.382 3.119 20 0 BGADHN C[C@H]1OCCN(CCCCc2ccccc2)[C@H]1C ZINC000359909850 387188688 /nfs/dbraw/zinc/18/86/88/387188688.db2.gz KDLSDYAIESTOGO-LSDHHAIUSA-N 0 3 247.382 3.119 20 0 BGADHN Cc1ccc([C@H]2CCCCN2CC2(C)COC2)o1 ZINC000359937536 178918748 /nfs/dbraw/zinc/91/87/48/178918748.db2.gz IVJGBJGXJPFDBH-CYBMUJFWSA-N 0 3 249.354 3.152 20 0 BGADHN Cc1ccc([C@@H]2CCCCN2CC2(C)COC2)o1 ZINC000359937537 387194416 /nfs/dbraw/zinc/19/44/16/387194416.db2.gz IVJGBJGXJPFDBH-ZDUSSCGKSA-N 0 3 249.354 3.152 20 0 BGADHN COC1(CNCc2ccoc2C)CCCCC1 ZINC000359958931 387199535 /nfs/dbraw/zinc/19/95/35/387199535.db2.gz PSYMSNCHDSIFGD-UHFFFAOYSA-N 0 3 237.343 3.027 20 0 BGADHN Cc1ccc2nccc(NCCCCF)c2c1 ZINC000359967912 387201708 /nfs/dbraw/zinc/20/17/08/387201708.db2.gz LETSIFFOFIGZOL-UHFFFAOYSA-N 0 3 232.302 3.127 20 0 BGADHN Cc1cncc([C@@H](C)NC[C@@H](C)C(F)(F)F)c1 ZINC000359976153 387204197 /nfs/dbraw/zinc/20/41/97/387204197.db2.gz MYTNFDCUNMNLCZ-NXEZZACHSA-N 0 3 246.276 3.239 20 0 BGADHN Cc1cncc([C@H](C)NC[C@H](C)C(F)(F)F)c1 ZINC000359976155 387203815 /nfs/dbraw/zinc/20/38/15/387203815.db2.gz MYTNFDCUNMNLCZ-UWVGGRQHSA-N 0 3 246.276 3.239 20 0 BGADHN Cc1cncc([C@@H](C)NC[C@H](C)C(F)(F)F)c1 ZINC000359976156 387205217 /nfs/dbraw/zinc/20/52/17/387205217.db2.gz MYTNFDCUNMNLCZ-VHSXEESVSA-N 0 3 246.276 3.239 20 0 BGADHN Cc1cncc([C@H](C)NC[C@@H](C)C(F)(F)F)c1 ZINC000359976158 387203872 /nfs/dbraw/zinc/20/38/72/387203872.db2.gz MYTNFDCUNMNLCZ-ZJUUUORDSA-N 0 3 246.276 3.239 20 0 BGADHN CCc1ccc(CN(C[C@@H](C)OC)C2CC2)cc1 ZINC000360001615 387211377 /nfs/dbraw/zinc/21/13/77/387211377.db2.gz ATYMLZLXNAIIDW-CYBMUJFWSA-N 0 3 247.382 3.248 20 0 BGADHN CCc1ccc(CN(C[C@H](C)OC)C2CC2)cc1 ZINC000360001616 387212049 /nfs/dbraw/zinc/21/20/49/387212049.db2.gz ATYMLZLXNAIIDW-ZDUSSCGKSA-N 0 3 247.382 3.248 20 0 BGADHN CCN(Cc1ccc(Cl)cc1)C[C@@H](C)OC ZINC000360001668 356900145 /nfs/dbraw/zinc/90/01/45/356900145.db2.gz BQZJNBSQEOMRMS-LLVKDONJSA-N 0 3 241.762 3.197 20 0 BGADHN CCN(Cc1ccc(Cl)cc1)C[C@H](C)OC ZINC000360001669 356899984 /nfs/dbraw/zinc/89/99/84/356899984.db2.gz BQZJNBSQEOMRMS-NSHDSACASA-N 0 3 241.762 3.197 20 0 BGADHN CCN(C[C@@H](C)OC)[C@@H](C)c1ccccc1F ZINC000360006426 387211958 /nfs/dbraw/zinc/21/19/58/387211958.db2.gz YSUFWJPNHMQKNN-NEPJUHHUSA-N 0 3 239.334 3.244 20 0 BGADHN CCN(C[C@H](C)OC)[C@H](C)c1ccccc1F ZINC000360006427 387211276 /nfs/dbraw/zinc/21/12/76/387211276.db2.gz YSUFWJPNHMQKNN-NWDGAFQWSA-N 0 3 239.334 3.244 20 0 BGADHN CCN(C[C@H](C)OC)[C@@H](C)c1ccccc1F ZINC000360006428 387211204 /nfs/dbraw/zinc/21/12/04/387211204.db2.gz YSUFWJPNHMQKNN-RYUDHWBXSA-N 0 3 239.334 3.244 20 0 BGADHN CCN(C[C@@H](C)OC)[C@H](C)c1ccccc1F ZINC000360006429 387210906 /nfs/dbraw/zinc/21/09/06/387210906.db2.gz YSUFWJPNHMQKNN-VXGBXAGGSA-N 0 3 239.334 3.244 20 0 BGADHN CCN(C[C@@H](C)OC)[C@@H](C)c1cccc(F)c1 ZINC000360009377 387210973 /nfs/dbraw/zinc/21/09/73/387210973.db2.gz DLLJLXHSLJLNNL-NEPJUHHUSA-N 0 3 239.334 3.244 20 0 BGADHN CCN(C[C@H](C)OC)[C@H](C)c1cccc(F)c1 ZINC000360009378 387211914 /nfs/dbraw/zinc/21/19/14/387211914.db2.gz DLLJLXHSLJLNNL-NWDGAFQWSA-N 0 3 239.334 3.244 20 0 BGADHN CCN(C[C@H](C)OC)[C@@H](C)c1cccc(F)c1 ZINC000360009379 387211564 /nfs/dbraw/zinc/21/15/64/387211564.db2.gz DLLJLXHSLJLNNL-RYUDHWBXSA-N 0 3 239.334 3.244 20 0 BGADHN CCN(C[C@@H](C)OC)[C@H](C)c1cccc(F)c1 ZINC000360009380 387211168 /nfs/dbraw/zinc/21/11/68/387211168.db2.gz DLLJLXHSLJLNNL-VXGBXAGGSA-N 0 3 239.334 3.244 20 0 BGADHN CCN(Cc1cc2ccccc2o1)C[C@@H](C)OC ZINC000360014916 356900750 /nfs/dbraw/zinc/90/07/50/356900750.db2.gz FWPMZJGHBRYQHA-GFCCVEGCSA-N 0 3 247.338 3.290 20 0 BGADHN CCN(Cc1cc2ccccc2o1)C[C@H](C)OC ZINC000360014917 356901203 /nfs/dbraw/zinc/90/12/03/356901203.db2.gz FWPMZJGHBRYQHA-LBPRGKRZSA-N 0 3 247.338 3.290 20 0 BGADHN c1ccc2c(c1)[nH]c1c2CN(CCC2CC2)CC1 ZINC000360024055 387215932 /nfs/dbraw/zinc/21/59/32/387215932.db2.gz MWGDYRMICPEBIK-UHFFFAOYSA-N 0 3 240.350 3.326 20 0 BGADHN O=C(c1cccs1)C1CCN(CC2CC2)CC1 ZINC000360034073 387823396 /nfs/dbraw/zinc/82/33/96/387823396.db2.gz AIAKUAPLUJZJQO-UHFFFAOYSA-N 0 3 249.379 3.053 20 0 BGADHN c1csc([C@H]2CSCCN2CC2CC2)c1 ZINC000360038381 387822883 /nfs/dbraw/zinc/82/28/83/387822883.db2.gz HHJUFQVGHCHLFO-LLVKDONJSA-N 0 3 239.409 3.248 20 0 BGADHN c1csc([C@@H]2CSCCN2CC2CC2)c1 ZINC000360038395 387823958 /nfs/dbraw/zinc/82/39/58/387823958.db2.gz HHJUFQVGHCHLFO-NSHDSACASA-N 0 3 239.409 3.248 20 0 BGADHN c1cc(CN2[C@H]3C=CC[C@@H]2CC3)cs1 ZINC000360042824 187389840 /nfs/dbraw/zinc/38/98/40/187389840.db2.gz YZEOVYKOGGUCMR-NWDGAFQWSA-N 0 3 205.326 3.041 20 0 BGADHN Cc1ccc(CN2CCC(C)(C)CC2)c(C)n1 ZINC000360050473 178563746 /nfs/dbraw/zinc/56/37/46/178563746.db2.gz BPXXVKXIHIZEKE-UHFFFAOYSA-N 0 3 232.371 3.320 20 0 BGADHN Cc1nc(CN[C@H](C)CC(C)C)c2n1CCCC2 ZINC000360052786 387823722 /nfs/dbraw/zinc/82/37/22/387823722.db2.gz CDESDANBNCRCJN-GFCCVEGCSA-N 0 3 249.402 3.052 20 0 BGADHN Cc1nc(CN[C@@H](C)CC(C)C)c2n1CCCC2 ZINC000360052787 387824051 /nfs/dbraw/zinc/82/40/51/387824051.db2.gz CDESDANBNCRCJN-LBPRGKRZSA-N 0 3 249.402 3.052 20 0 BGADHN C[C@H](N[C@H]1c2cccc(F)c2O[C@@H]1C)C1CC1 ZINC000360053657 397960177 /nfs/dbraw/zinc/96/01/77/397960177.db2.gz DNOWJYAPKMHLFI-IGJMFERPSA-N 0 3 235.302 3.036 20 0 BGADHN C[C@H](N[C@H]1c2cccc(F)c2O[C@H]1C)C1CC1 ZINC000360053658 387823204 /nfs/dbraw/zinc/82/32/04/387823204.db2.gz DNOWJYAPKMHLFI-MWODSPESSA-N 0 3 235.302 3.036 20 0 BGADHN C[C@H](N[C@@H]1c2cccc(F)c2O[C@H]1C)C1CC1 ZINC000360053659 387824172 /nfs/dbraw/zinc/82/41/72/387824172.db2.gz DNOWJYAPKMHLFI-RVBZMBCESA-N 0 3 235.302 3.036 20 0 BGADHN C[C@H](N[C@@H]1c2cccc(F)c2O[C@@H]1C)C1CC1 ZINC000360053660 187227393 /nfs/dbraw/zinc/22/73/93/187227393.db2.gz DNOWJYAPKMHLFI-RWEMILLDSA-N 0 3 235.302 3.036 20 0 BGADHN CC[C@@H](NCc1nc(C)n2c1CCCC2)C(C)C ZINC000360057504 357272740 /nfs/dbraw/zinc/27/27/40/357272740.db2.gz JVRRCNISUVAOON-CYBMUJFWSA-N 0 3 249.402 3.052 20 0 BGADHN CC[C@H](NCc1nc(C)n2c1CCCC2)C(C)C ZINC000360057505 387823809 /nfs/dbraw/zinc/82/38/09/387823809.db2.gz JVRRCNISUVAOON-ZDUSSCGKSA-N 0 3 249.402 3.052 20 0 BGADHN CCn1cc(CN2C[C@H]3CCCCCC[C@@H]32)cn1 ZINC000360057950 172167282 /nfs/dbraw/zinc/16/72/82/172167282.db2.gz KQTKOBVPNZDTKX-CABCVRRESA-N 0 3 247.386 3.058 20 0 BGADHN CCn1cc(CN2C[C@@H]3CCCCCC[C@@H]32)cn1 ZINC000360057951 172167173 /nfs/dbraw/zinc/16/71/73/172167173.db2.gz KQTKOBVPNZDTKX-GJZGRUSLSA-N 0 3 247.386 3.058 20 0 BGADHN CCn1cc(CN2C[C@H]3CCCCCC[C@H]32)cn1 ZINC000360057952 172167333 /nfs/dbraw/zinc/16/73/33/172167333.db2.gz KQTKOBVPNZDTKX-HUUCEWRRSA-N 0 3 247.386 3.058 20 0 BGADHN CCn1cc(CN2C[C@@H]3CCCCCC[C@H]32)cn1 ZINC000360057953 172167929 /nfs/dbraw/zinc/16/79/29/172167929.db2.gz KQTKOBVPNZDTKX-LSDHHAIUSA-N 0 3 247.386 3.058 20 0 BGADHN CCCC[C@@H](C)NCc1nc(C)n2c1CCCC2 ZINC000360060055 357273512 /nfs/dbraw/zinc/27/35/12/357273512.db2.gz PISSHMKURKNGLG-GFCCVEGCSA-N 0 3 249.402 3.196 20 0 BGADHN CCCC[C@H](C)NCc1nc(C)n2c1CCCC2 ZINC000360060056 357273602 /nfs/dbraw/zinc/27/36/02/357273602.db2.gz PISSHMKURKNGLG-LBPRGKRZSA-N 0 3 249.402 3.196 20 0 BGADHN c1ncc(CN2C[C@@H]3CCCCCC[C@@H]32)s1 ZINC000360060505 387822759 /nfs/dbraw/zinc/82/27/59/387822759.db2.gz UINXNAFYUNGXSC-AAEUAGOBSA-N 0 3 236.384 3.298 20 0 BGADHN c1ncc(CN2C[C@H]3CCCCCC[C@H]32)s1 ZINC000360060506 387823627 /nfs/dbraw/zinc/82/36/27/387823627.db2.gz UINXNAFYUNGXSC-DGCLKSJQSA-N 0 3 236.384 3.298 20 0 BGADHN c1ncc(CN2C[C@@H]3CCCCCC[C@H]32)s1 ZINC000360060507 387823915 /nfs/dbraw/zinc/82/39/15/387823915.db2.gz UINXNAFYUNGXSC-WCQYABFASA-N 0 3 236.384 3.298 20 0 BGADHN c1ncc(CN2C[C@H]3CCCCCC[C@@H]32)s1 ZINC000360060508 387824350 /nfs/dbraw/zinc/82/43/50/387824350.db2.gz UINXNAFYUNGXSC-YPMHNXCESA-N 0 3 236.384 3.298 20 0 BGADHN CCC(CC)CNCc1nc(C)n2c1CCCC2 ZINC000360061074 168362667 /nfs/dbraw/zinc/36/26/67/168362667.db2.gz WMQVEZBEHOYQBS-UHFFFAOYSA-N 0 3 249.402 3.054 20 0 BGADHN CC[C@@H](C)[C@H](C)NCc1nc(C)n2c1CCCC2 ZINC000360062940 387826231 /nfs/dbraw/zinc/82/62/31/387826231.db2.gz XEEOJIGUTDBIMS-NEPJUHHUSA-N 0 3 249.402 3.052 20 0 BGADHN CC[C@H](C)[C@@H](C)NCc1nc(C)n2c1CCCC2 ZINC000360062942 171366063 /nfs/dbraw/zinc/36/60/63/171366063.db2.gz XEEOJIGUTDBIMS-NWDGAFQWSA-N 0 3 249.402 3.052 20 0 BGADHN CC[C@H](C)[C@H](C)NCc1nc(C)n2c1CCCC2 ZINC000360062946 171389746 /nfs/dbraw/zinc/38/97/46/171389746.db2.gz XEEOJIGUTDBIMS-RYUDHWBXSA-N 0 3 249.402 3.052 20 0 BGADHN CC[C@@H](C)[C@@H](C)NCc1nc(C)n2c1CCCC2 ZINC000360062948 387825787 /nfs/dbraw/zinc/82/57/87/387825787.db2.gz XEEOJIGUTDBIMS-VXGBXAGGSA-N 0 3 249.402 3.052 20 0 BGADHN CC(C)(C)n1cc(CN2CCC[C@H]2C2CC2)cn1 ZINC000360076236 192024277 /nfs/dbraw/zinc/02/42/77/192024277.db2.gz PEVUMYSTBVIHFX-AWEZNQCLSA-N 0 3 247.386 3.013 20 0 BGADHN CC(C)(C)n1cc(CN2CCC[C@@H]2C2CC2)cn1 ZINC000360076237 192023793 /nfs/dbraw/zinc/02/37/93/192023793.db2.gz PEVUMYSTBVIHFX-CQSZACIVSA-N 0 3 247.386 3.013 20 0 BGADHN Cc1cccc([C@H](C)N2CCOCC3(CC3)C2)c1 ZINC000360083626 179195265 /nfs/dbraw/zinc/19/52/65/179195265.db2.gz FKUDFGXPDASAEC-AWEZNQCLSA-N 0 3 245.366 3.168 20 0 BGADHN Cc1cccc([C@@H](C)N2CCOCC3(CC3)C2)c1 ZINC000360083627 179180244 /nfs/dbraw/zinc/18/02/44/179180244.db2.gz FKUDFGXPDASAEC-CQSZACIVSA-N 0 3 245.366 3.168 20 0 BGADHN C[C@@]1(c2cccs2)C[C@@H]1CNCc1ccco1 ZINC000360093241 176548431 /nfs/dbraw/zinc/54/84/31/176548431.db2.gz PWRJQEUCOYTLFG-BXUZGUMPSA-N 0 3 247.363 3.409 20 0 BGADHN C[C@]1(c2cccs2)C[C@H]1CNCc1ccco1 ZINC000360093242 387824550 /nfs/dbraw/zinc/82/45/50/387824550.db2.gz PWRJQEUCOYTLFG-FZMZJTMJSA-N 0 3 247.363 3.409 20 0 BGADHN C[C@]1(c2cccs2)C[C@@H]1CNCc1ccco1 ZINC000360093243 387826767 /nfs/dbraw/zinc/82/67/67/387826767.db2.gz PWRJQEUCOYTLFG-RISCZKNCSA-N 0 3 247.363 3.409 20 0 BGADHN C[C@@]1(c2cccs2)C[C@H]1CNCc1ccco1 ZINC000360093244 387825897 /nfs/dbraw/zinc/82/58/97/387825897.db2.gz PWRJQEUCOYTLFG-SMDDNHRTSA-N 0 3 247.363 3.409 20 0 BGADHN CSCCN1CCC[C@@H]1c1ccsc1 ZINC000360112706 387229761 /nfs/dbraw/zinc/22/97/61/387229761.db2.gz NKJLPPLQZFZFKV-LLVKDONJSA-N 0 3 227.398 3.248 20 0 BGADHN CSCCN1CCC[C@H]1c1ccsc1 ZINC000360112707 387229214 /nfs/dbraw/zinc/22/92/14/387229214.db2.gz NKJLPPLQZFZFKV-NSHDSACASA-N 0 3 227.398 3.248 20 0 BGADHN CCOc1ccc2c(c1)CCN(CCC1CC1)C2 ZINC000360133271 387232305 /nfs/dbraw/zinc/23/23/05/387232305.db2.gz RWAWZOTUWNJXFB-UHFFFAOYSA-N 0 3 245.366 3.244 20 0 BGADHN Cc1ccc(C(=O)CCN2CC=C(C)CC2)cc1 ZINC000360149556 168111140 /nfs/dbraw/zinc/11/11/40/168111140.db2.gz OASTXRFIFOAYLH-UHFFFAOYSA-N 0 3 243.350 3.220 20 0 BGADHN CO[C@H](C)CN[C@@H](C)c1cc(C)c(F)c(C)c1 ZINC000360212640 387244907 /nfs/dbraw/zinc/24/49/07/387244907.db2.gz KIYXRKJRDPILIQ-NEPJUHHUSA-N 0 3 239.334 3.128 20 0 BGADHN CO[C@@H](C)CN[C@H](C)c1cc(C)c(F)c(C)c1 ZINC000360212651 174706632 /nfs/dbraw/zinc/70/66/32/174706632.db2.gz KIYXRKJRDPILIQ-NWDGAFQWSA-N 0 3 239.334 3.128 20 0 BGADHN CO[C@@H](C)CN[C@@H](C)c1cc(C)c(F)c(C)c1 ZINC000360212652 384945287 /nfs/dbraw/zinc/94/52/87/384945287.db2.gz KIYXRKJRDPILIQ-RYUDHWBXSA-N 0 3 239.334 3.128 20 0 BGADHN CO[C@H](C)CN[C@H](C)c1cc(C)c(F)c(C)c1 ZINC000360212653 384943022 /nfs/dbraw/zinc/94/30/22/384943022.db2.gz KIYXRKJRDPILIQ-VXGBXAGGSA-N 0 3 239.334 3.128 20 0 BGADHN CCC(CC)C(=O)Nc1cccc(CN(C)C)c1 ZINC000360241727 168340888 /nfs/dbraw/zinc/34/08/88/168340888.db2.gz MHBLVDSKYQCOHO-UHFFFAOYSA-N 0 3 248.370 3.123 20 0 BGADHN Cc1cc(CN[C@@H]2CCC(C)(C)C[C@H]2C)nn1C ZINC000360273359 178033516 /nfs/dbraw/zinc/03/35/16/178033516.db2.gz HJTRCABFRMMQKX-BXUZGUMPSA-N 0 3 249.402 3.033 20 0 BGADHN Cc1cc(CN[C@H]2CCC(C)(C)C[C@@H]2C)nn1C ZINC000360273360 178038557 /nfs/dbraw/zinc/03/85/57/178038557.db2.gz HJTRCABFRMMQKX-FZMZJTMJSA-N 0 3 249.402 3.033 20 0 BGADHN Cc1cc(CN[C@H]2CCC(C)(C)C[C@H]2C)nn1C ZINC000360273361 178040162 /nfs/dbraw/zinc/04/01/62/178040162.db2.gz HJTRCABFRMMQKX-RISCZKNCSA-N 0 3 249.402 3.033 20 0 BGADHN Cc1cc(CN[C@@H]2CCC(C)(C)C[C@@H]2C)nn1C ZINC000360273362 178032662 /nfs/dbraw/zinc/03/26/62/178032662.db2.gz HJTRCABFRMMQKX-SMDDNHRTSA-N 0 3 249.402 3.033 20 0 BGADHN Cc1cnc(CN[C@@H]2CCC(C)(C)C[C@H]2C)nc1 ZINC000360289523 387256751 /nfs/dbraw/zinc/25/67/51/387256751.db2.gz AZSCBUOEKJHKBH-CHWSQXEVSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1cnc(CN[C@H]2CCC(C)(C)C[C@H]2C)nc1 ZINC000360289524 387257626 /nfs/dbraw/zinc/25/76/26/387257626.db2.gz AZSCBUOEKJHKBH-OLZOCXBDSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1cnc(CN[C@@H]2CCC(C)(C)C[C@@H]2C)nc1 ZINC000360289525 387256069 /nfs/dbraw/zinc/25/60/69/387256069.db2.gz AZSCBUOEKJHKBH-QWHCGFSZSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1cnc(CN[C@H]2CCC(C)(C)C[C@@H]2C)nc1 ZINC000360289726 387257437 /nfs/dbraw/zinc/25/74/37/387257437.db2.gz AZSCBUOEKJHKBH-STQMWFEESA-N 0 3 247.386 3.089 20 0 BGADHN Cc1ccnc(CN[C@H]2CCC(C)(C)C[C@@H]2C)n1 ZINC000360294564 387258986 /nfs/dbraw/zinc/25/89/86/387258986.db2.gz NTAUQQWZKZAKOO-AAEUAGOBSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1ccnc(CN[C@@H]2CCC(C)(C)C[C@H]2C)n1 ZINC000360294565 387259677 /nfs/dbraw/zinc/25/96/77/387259677.db2.gz NTAUQQWZKZAKOO-DGCLKSJQSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1ccnc(CN[C@@H]2CCC(C)(C)C[C@@H]2C)n1 ZINC000360294566 397733695 /nfs/dbraw/zinc/73/36/95/397733695.db2.gz NTAUQQWZKZAKOO-WCQYABFASA-N 0 3 247.386 3.089 20 0 BGADHN Cc1ccnc(CN[C@H]2CCC(C)(C)C[C@H]2C)n1 ZINC000360294567 397733486 /nfs/dbraw/zinc/73/34/86/397733486.db2.gz NTAUQQWZKZAKOO-YPMHNXCESA-N 0 3 247.386 3.089 20 0 BGADHN C[C@@H]1CCC[C@H](NCc2ncc(C3CC3)o2)[C@H]1C ZINC000360329065 387263776 /nfs/dbraw/zinc/26/37/76/387263776.db2.gz JSPYKDSFTJZOBY-MDZLAQPJSA-N 0 3 248.370 3.466 20 0 BGADHN C[C@@H]1CCC[C@@H](NCc2ncc(C3CC3)o2)[C@@H]1C ZINC000360329066 176124502 /nfs/dbraw/zinc/12/45/02/176124502.db2.gz JSPYKDSFTJZOBY-NQBHXWOUSA-N 0 3 248.370 3.466 20 0 BGADHN C[C@@H]1CCC[C@@H](NCc2ncc(C3CC3)o2)[C@H]1C ZINC000360329067 387264462 /nfs/dbraw/zinc/26/44/62/387264462.db2.gz JSPYKDSFTJZOBY-NTZNESFSSA-N 0 3 248.370 3.466 20 0 BGADHN C[C@@H]1CCC[C@H](NCc2ncc(C3CC3)o2)[C@@H]1C ZINC000360329068 176144651 /nfs/dbraw/zinc/14/46/51/176144651.db2.gz JSPYKDSFTJZOBY-WZRBSPASSA-N 0 3 248.370 3.466 20 0 BGADHN C[C@@H]1CC[C@H](NCc2ncc(C3CC3)o2)[C@@H](C)C1 ZINC000360347343 177355919 /nfs/dbraw/zinc/35/59/19/177355919.db2.gz SAFDYLFBUWJELC-MDZLAQPJSA-N 0 3 248.370 3.466 20 0 BGADHN C[C@@H]1CC[C@@H](NCc2ncc(C3CC3)o2)[C@H](C)C1 ZINC000360347345 176212917 /nfs/dbraw/zinc/21/29/17/176212917.db2.gz SAFDYLFBUWJELC-NQBHXWOUSA-N 0 3 248.370 3.466 20 0 BGADHN C[C@@H]1CC[C@@H](NCc2ncc(C3CC3)o2)[C@@H](C)C1 ZINC000360347346 177356745 /nfs/dbraw/zinc/35/67/45/177356745.db2.gz SAFDYLFBUWJELC-NTZNESFSSA-N 0 3 248.370 3.466 20 0 BGADHN C[C@@H]1CC[C@H](NCc2ncc(C3CC3)o2)[C@H](C)C1 ZINC000360347348 176233983 /nfs/dbraw/zinc/23/39/83/176233983.db2.gz SAFDYLFBUWJELC-WZRBSPASSA-N 0 3 248.370 3.466 20 0 BGADHN Cc1occc1CN(C)CCCc1ccncc1 ZINC000360442351 387284925 /nfs/dbraw/zinc/28/49/25/387284925.db2.gz CEGLXXWQNXDDTN-UHFFFAOYSA-N 0 3 244.338 3.048 20 0 BGADHN c1ccc2c(c1)CN(CCCc1ccncc1)C2 ZINC000360453102 387287295 /nfs/dbraw/zinc/28/72/95/387287295.db2.gz BHVXHSGCVFRLTG-UHFFFAOYSA-N 0 3 238.334 3.030 20 0 BGADHN Cc1ccc(CN(C)CCCc2ccncc2)o1 ZINC000360455373 387288644 /nfs/dbraw/zinc/28/86/44/387288644.db2.gz NJQRKYAZXQIZPN-UHFFFAOYSA-N 0 3 244.338 3.048 20 0 BGADHN CC[C@H]1[C@H](C)CCN1Cc1cc(OC)cc(C)n1 ZINC000360457228 387288020 /nfs/dbraw/zinc/28/80/20/387288020.db2.gz CKBXJXFEPQZRNS-ABAIWWIYSA-N 0 3 248.370 3.019 20 0 BGADHN CC[C@@H]1[C@H](C)CCN1Cc1cc(OC)cc(C)n1 ZINC000360457231 171160742 /nfs/dbraw/zinc/16/07/42/171160742.db2.gz CKBXJXFEPQZRNS-IAQYHMDHSA-N 0 3 248.370 3.019 20 0 BGADHN CC[C@H]1[C@@H](C)CCN1Cc1cc(OC)cc(C)n1 ZINC000360457233 387289128 /nfs/dbraw/zinc/28/91/28/387289128.db2.gz CKBXJXFEPQZRNS-NHYWBVRUSA-N 0 3 248.370 3.019 20 0 BGADHN CC[C@@H]1[C@@H](C)CCN1Cc1cc(OC)cc(C)n1 ZINC000360457235 171156115 /nfs/dbraw/zinc/15/61/15/171156115.db2.gz CKBXJXFEPQZRNS-XHDPSFHLSA-N 0 3 248.370 3.019 20 0 BGADHN CC[C@@H]1[C@H](C)CCN1Cc1nc(C)sc1C ZINC000360460890 171160039 /nfs/dbraw/zinc/16/00/39/171160039.db2.gz RAEHTAKNKGBCHY-NOZJJQNGSA-N 0 3 238.400 3.380 20 0 BGADHN CC[C@H]1[C@H](C)CCN1Cc1nc(C)sc1C ZINC000360460891 387288048 /nfs/dbraw/zinc/28/80/48/387288048.db2.gz RAEHTAKNKGBCHY-RNCFNFMXSA-N 0 3 238.400 3.380 20 0 BGADHN CC[C@@H]1[C@@H](C)CCN1Cc1nc(C)sc1C ZINC000360460892 171156013 /nfs/dbraw/zinc/15/60/13/171156013.db2.gz RAEHTAKNKGBCHY-TVQRCGJNSA-N 0 3 238.400 3.380 20 0 BGADHN CC[C@H]1[C@@H](C)CCN1Cc1nc(C)sc1C ZINC000360460893 387289320 /nfs/dbraw/zinc/28/93/20/387289320.db2.gz RAEHTAKNKGBCHY-ZANVPECISA-N 0 3 238.400 3.380 20 0 BGADHN CCOc1cccc(CN2CC[C@H](C)[C@H]2CC)n1 ZINC000360478641 387295947 /nfs/dbraw/zinc/29/59/47/387295947.db2.gz RIMVZKRTZHOKHD-GXTWGEPZSA-N 0 3 248.370 3.101 20 0 BGADHN CCOc1cccc(CN2CC[C@H](C)[C@@H]2CC)n1 ZINC000360478642 387295017 /nfs/dbraw/zinc/29/50/17/387295017.db2.gz RIMVZKRTZHOKHD-JSGCOSHPSA-N 0 3 248.370 3.101 20 0 BGADHN CCOc1cccc(CN2CC[C@@H](C)[C@@H]2CC)n1 ZINC000360478643 387295875 /nfs/dbraw/zinc/29/58/75/387295875.db2.gz RIMVZKRTZHOKHD-OCCSQVGLSA-N 0 3 248.370 3.101 20 0 BGADHN CCOc1cccc(CN2CC[C@@H](C)[C@H]2CC)n1 ZINC000360478644 387295494 /nfs/dbraw/zinc/29/54/94/387295494.db2.gz RIMVZKRTZHOKHD-TZMCWYRMSA-N 0 3 248.370 3.101 20 0 BGADHN Cc1ccccc1[C@H](C)NCCOCC1CCC1 ZINC000360511011 179337790 /nfs/dbraw/zinc/33/77/90/179337790.db2.gz YJGIPPYRXNHRQS-AWEZNQCLSA-N 0 3 247.382 3.462 20 0 BGADHN Cc1ccccc1[C@@H](C)NCCOCC1CCC1 ZINC000360511012 179322193 /nfs/dbraw/zinc/32/21/93/179322193.db2.gz YJGIPPYRXNHRQS-CQSZACIVSA-N 0 3 247.382 3.462 20 0 BGADHN C[C@@H](NCCOCC1CCC1)c1ccccc1 ZINC000360518335 387302134 /nfs/dbraw/zinc/30/21/34/387302134.db2.gz RUGFTRYIHHOQTI-CYBMUJFWSA-N 0 3 233.355 3.154 20 0 BGADHN C[C@H](NCCOCC1CCC1)c1ccccc1 ZINC000360518336 387302351 /nfs/dbraw/zinc/30/23/51/387302351.db2.gz RUGFTRYIHHOQTI-ZDUSSCGKSA-N 0 3 233.355 3.154 20 0 BGADHN Cc1nc(CN2CCCC[C@H](C)C2)c(C)s1 ZINC000360604973 387320279 /nfs/dbraw/zinc/32/02/79/387320279.db2.gz ORUYCXHEQYRVRO-JTQLQIEISA-N 0 3 238.400 3.382 20 0 BGADHN Cc1nc(CN2CCCC[C@@H](C)C2)c(C)s1 ZINC000360604976 387321379 /nfs/dbraw/zinc/32/13/79/387321379.db2.gz ORUYCXHEQYRVRO-SNVBAGLBSA-N 0 3 238.400 3.382 20 0 BGADHN COc1cc(C)nc(CN2CCCC[C@@H](C)C2)c1 ZINC000360605160 387320215 /nfs/dbraw/zinc/32/02/15/387320215.db2.gz QGMNKCPJNPYIGZ-GFCCVEGCSA-N 0 3 248.370 3.021 20 0 BGADHN COc1cc(C)nc(CN2CCCC[C@H](C)C2)c1 ZINC000360605161 387321110 /nfs/dbraw/zinc/32/11/10/387321110.db2.gz QGMNKCPJNPYIGZ-LBPRGKRZSA-N 0 3 248.370 3.021 20 0 BGADHN Cc1nc([C@H]2CCCN2CCC2CC2)cs1 ZINC000360606002 180058295 /nfs/dbraw/zinc/05/82/95/180058295.db2.gz YJDYRESOASTJRW-CYBMUJFWSA-N 0 3 236.384 3.389 20 0 BGADHN Cc1nc([C@@H]2CCCN2CCC2CC2)cs1 ZINC000360606003 180045856 /nfs/dbraw/zinc/04/58/56/180045856.db2.gz YJDYRESOASTJRW-ZDUSSCGKSA-N 0 3 236.384 3.389 20 0 BGADHN CCOc1cccc(CN2CCCC[C@@H](C)C2)n1 ZINC000360630556 387325895 /nfs/dbraw/zinc/32/58/95/387325895.db2.gz VAGNMXDLXQIEPH-CYBMUJFWSA-N 0 3 248.370 3.102 20 0 BGADHN CCOc1cccc(CN2CCCC[C@H](C)C2)n1 ZINC000360630557 387326235 /nfs/dbraw/zinc/32/62/35/387326235.db2.gz VAGNMXDLXQIEPH-ZDUSSCGKSA-N 0 3 248.370 3.102 20 0 BGADHN C[C@H]1CC[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC000360680078 177196716 /nfs/dbraw/zinc/19/67/16/177196716.db2.gz JPHRDVZAIHUKGO-DZGCQCFKSA-N 0 3 230.355 3.094 20 0 BGADHN C[C@@H]1CC[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC000360680083 176238818 /nfs/dbraw/zinc/23/88/18/176238818.db2.gz JPHRDVZAIHUKGO-HIFRSBDPSA-N 0 3 230.355 3.094 20 0 BGADHN C[C@@H]1CC[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC000360680085 176218979 /nfs/dbraw/zinc/21/89/79/176218979.db2.gz JPHRDVZAIHUKGO-UKRRQHHQSA-N 0 3 230.355 3.094 20 0 BGADHN C[C@H]1CC[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC000360680087 177208533 /nfs/dbraw/zinc/20/85/33/177208533.db2.gz JPHRDVZAIHUKGO-ZFWWWQNUSA-N 0 3 230.355 3.094 20 0 BGADHN Cc1cccc(CN(C)C[C@@H](O)CCC(C)C)c1 ZINC000360684049 179066801 /nfs/dbraw/zinc/06/68/01/179066801.db2.gz BGAINLBPRDVLHD-INIZCTEOSA-N 0 3 249.398 3.224 20 0 BGADHN Cc1cccc(CN(C)C[C@H](O)CCC(C)C)c1 ZINC000360684050 179067370 /nfs/dbraw/zinc/06/73/70/179067370.db2.gz BGAINLBPRDVLHD-MRXNPFEDSA-N 0 3 249.398 3.224 20 0 BGADHN CC(C)CC[C@H](O)CN1CC2(C1)CCCCC2 ZINC000360684961 356910041 /nfs/dbraw/zinc/91/00/41/356910041.db2.gz IMIVMGUEJJBQGK-AWEZNQCLSA-N 0 3 239.403 3.050 20 0 BGADHN CC(C)CC[C@@H](O)CN1CC2(C1)CCCCC2 ZINC000360684962 387336392 /nfs/dbraw/zinc/33/63/92/387336392.db2.gz IMIVMGUEJJBQGK-CQSZACIVSA-N 0 3 239.403 3.050 20 0 BGADHN CC(C)CC[C@@H](O)CN1CC[C@H]1c1ccccc1 ZINC000360685800 387335762 /nfs/dbraw/zinc/33/57/62/387335762.db2.gz NVRWRCGQQALZNJ-CVEARBPZSA-N 0 3 247.382 3.231 20 0 BGADHN CC(C)CC[C@H](O)CN1CC[C@H]1c1ccccc1 ZINC000360685802 356910054 /nfs/dbraw/zinc/91/00/54/356910054.db2.gz NVRWRCGQQALZNJ-HOTGVXAUSA-N 0 3 247.382 3.231 20 0 BGADHN CC(C)CC[C@@H](O)CN1CC[C@@H]1c1ccccc1 ZINC000360685803 387336183 /nfs/dbraw/zinc/33/61/83/387336183.db2.gz NVRWRCGQQALZNJ-HZPDHXFCSA-N 0 3 247.382 3.231 20 0 BGADHN CC(C)CC[C@H](O)CN1CC[C@@H]1c1ccccc1 ZINC000360685804 356910405 /nfs/dbraw/zinc/91/04/05/356910405.db2.gz NVRWRCGQQALZNJ-JKSUJKDBSA-N 0 3 247.382 3.231 20 0 BGADHN C[C@H](NC[C@@H]1CCC[C@H](C)[C@H]1C)c1cnccn1 ZINC000360686117 385331969 /nfs/dbraw/zinc/33/19/69/385331969.db2.gz QAPYXTYOSVCTGI-CRWXNKLISA-N 0 3 247.386 3.200 20 0 BGADHN C[C@H](NC[C@@H]1CCC[C@@H](C)[C@H]1C)c1cnccn1 ZINC000360686118 385333452 /nfs/dbraw/zinc/33/34/52/385333452.db2.gz QAPYXTYOSVCTGI-MQYQWHSLSA-N 0 3 247.386 3.200 20 0 BGADHN C[C@H](NC[C@@H]1CCC[C@@H](C)[C@@H]1C)c1cnccn1 ZINC000360686119 385333521 /nfs/dbraw/zinc/33/35/21/385333521.db2.gz QAPYXTYOSVCTGI-RFGFWPKPSA-N 0 3 247.386 3.200 20 0 BGADHN C[C@H](NC[C@@H]1CCC[C@H](C)[C@@H]1C)c1cnccn1 ZINC000360686120 385333182 /nfs/dbraw/zinc/33/31/82/385333182.db2.gz QAPYXTYOSVCTGI-XUXIUFHCSA-N 0 3 247.386 3.200 20 0 BGADHN Cc1ccc(CN(C)C[C@@H](O)CCC(C)C)cc1 ZINC000360693304 387338540 /nfs/dbraw/zinc/33/85/40/387338540.db2.gz YIYADSNVTORQEK-INIZCTEOSA-N 0 3 249.398 3.224 20 0 BGADHN Cc1ccc(CN(C)C[C@H](O)CCC(C)C)cc1 ZINC000360693305 387337695 /nfs/dbraw/zinc/33/76/95/387337695.db2.gz YIYADSNVTORQEK-MRXNPFEDSA-N 0 3 249.398 3.224 20 0 BGADHN Cc1ccc(CNC(C)(C)c2cccs2)cn1 ZINC000360711302 387340931 /nfs/dbraw/zinc/34/09/31/387340931.db2.gz DMECNVWBFMLWSE-UHFFFAOYSA-N 0 3 246.379 3.476 20 0 BGADHN CC[C@H](CC(F)(F)F)NCc1ccc(C)nc1 ZINC000360712968 538772534 /nfs/dbraw/zinc/77/25/34/538772534.db2.gz KXVGTDBEPISWJP-LLVKDONJSA-N 0 3 246.276 3.211 20 0 BGADHN CC[C@@H](CC(F)(F)F)NCc1ccc(C)nc1 ZINC000360712971 644003551 /nfs/dbraw/zinc/00/35/51/644003551.db2.gz KXVGTDBEPISWJP-NSHDSACASA-N 0 3 246.276 3.211 20 0 BGADHN CCN1CC=C(c2cccc(Cl)c2)CC1 ZINC000360724996 356911161 /nfs/dbraw/zinc/91/11/61/356911161.db2.gz HHSSUBWJVDOLGJ-UHFFFAOYSA-N 0 3 221.731 3.449 20 0 BGADHN CCCc1cccc(CN2CCC(OC)CC2)c1 ZINC000360810005 188243182 /nfs/dbraw/zinc/24/31/82/188243182.db2.gz AFUUCTLWZSBZTE-UHFFFAOYSA-N 0 3 247.382 3.250 20 0 BGADHN CCCc1cccc(CN(C)[C@H](C)COC)c1 ZINC000360810056 188242861 /nfs/dbraw/zinc/24/28/61/188242861.db2.gz APUAHSVEIDGRTP-CYBMUJFWSA-N 0 3 235.371 3.106 20 0 BGADHN CCCc1cccc(CN(C)[C@@H](C)COC)c1 ZINC000360810057 187381302 /nfs/dbraw/zinc/38/13/02/187381302.db2.gz APUAHSVEIDGRTP-ZDUSSCGKSA-N 0 3 235.371 3.106 20 0 BGADHN CCCc1cccc(CN(C)C2CC2)c1 ZINC000360819988 188070056 /nfs/dbraw/zinc/07/00/56/188070056.db2.gz IYPHZPVUHBEFPK-UHFFFAOYSA-N 0 3 203.329 3.233 20 0 BGADHN Cc1cc2[nH]c(CN(C)C3CC3)cc2c(C)c1 ZINC000360821227 385425781 /nfs/dbraw/zinc/42/57/81/385425781.db2.gz LNWHVYCKMBQYNV-UHFFFAOYSA-N 0 3 228.339 3.379 20 0 BGADHN CCCc1cccc(CN(CCOC)C2CC2)c1 ZINC000360821875 187555972 /nfs/dbraw/zinc/55/59/72/187555972.db2.gz NDRDGPIJXBLBRH-UHFFFAOYSA-N 0 3 247.382 3.250 20 0 BGADHN CCCc1cccc(CN(C)C[C@@H]2CCCO2)c1 ZINC000360822071 187380624 /nfs/dbraw/zinc/38/06/24/187380624.db2.gz OQKIMYLBDBHVFA-INIZCTEOSA-N 0 3 247.382 3.250 20 0 BGADHN CCCc1cccc(CN(C)C[C@H]2CCCO2)c1 ZINC000360822072 187380795 /nfs/dbraw/zinc/38/07/95/187380795.db2.gz OQKIMYLBDBHVFA-MRXNPFEDSA-N 0 3 247.382 3.250 20 0 BGADHN CCCc1cccc(CN2CCC[C@H](OC)C2)c1 ZINC000360832187 387356086 /nfs/dbraw/zinc/35/60/86/387356086.db2.gz GFHROLUKHJUSRT-INIZCTEOSA-N 0 3 247.382 3.250 20 0 BGADHN CCCc1cccc(CN2CCC[C@@H](OC)C2)c1 ZINC000360832190 188070805 /nfs/dbraw/zinc/07/08/05/188070805.db2.gz GFHROLUKHJUSRT-MRXNPFEDSA-N 0 3 247.382 3.250 20 0 BGADHN CCN(C)Cc1cc2c(cc(C)cc2C)[nH]1 ZINC000360838427 387355789 /nfs/dbraw/zinc/35/57/89/387355789.db2.gz CJTYMBYZSDLGCR-UHFFFAOYSA-N 0 3 216.328 3.236 20 0 BGADHN CCCc1cccc(CN2CCSCC2)c1 ZINC000360840627 387355329 /nfs/dbraw/zinc/35/53/29/387355329.db2.gz OIZBQPJYODFYGA-UHFFFAOYSA-N 0 3 235.396 3.188 20 0 BGADHN C[C@H](NC[C@@H]1CCC[C@H](C)[C@H]1C)c1nccn1C ZINC000360873474 397968763 /nfs/dbraw/zinc/96/87/63/397968763.db2.gz PSCVSAZKOVTUBU-CRWXNKLISA-N 0 3 249.402 3.143 20 0 BGADHN C[C@H](NC[C@@H]1CCC[C@@H](C)[C@H]1C)c1nccn1C ZINC000360873475 387360411 /nfs/dbraw/zinc/36/04/11/387360411.db2.gz PSCVSAZKOVTUBU-MQYQWHSLSA-N 0 3 249.402 3.143 20 0 BGADHN C[C@H](NC[C@@H]1CCC[C@@H](C)[C@@H]1C)c1nccn1C ZINC000360873476 387360761 /nfs/dbraw/zinc/36/07/61/387360761.db2.gz PSCVSAZKOVTUBU-RFGFWPKPSA-N 0 3 249.402 3.143 20 0 BGADHN C[C@H](NC[C@@H]1CCC[C@H](C)[C@@H]1C)c1nccn1C ZINC000360873477 387360300 /nfs/dbraw/zinc/36/03/00/387360300.db2.gz PSCVSAZKOVTUBU-XUXIUFHCSA-N 0 3 249.402 3.143 20 0 BGADHN CN(Cc1ccoc1)C1CC(OC(C)(C)C)C1 ZINC000360881592 538866853 /nfs/dbraw/zinc/86/68/53/538866853.db2.gz BKAFIMJLKGTEFD-UHFFFAOYSA-N 0 3 237.343 3.058 20 0 BGADHN C[C@@H]1CN(CCCc2ccsc2)CCS1 ZINC000360909544 176289520 /nfs/dbraw/zinc/28/95/20/176289520.db2.gz ILIGDVUJDPVLJV-LLVKDONJSA-N 0 3 241.425 3.118 20 0 BGADHN CCCc1cccc(CN(C)CCOCC)c1 ZINC000360946879 387372157 /nfs/dbraw/zinc/37/21/57/387372157.db2.gz KPGJOADXCPAHEX-UHFFFAOYSA-N 0 3 235.371 3.107 20 0 BGADHN c1cc(C2CCCC2)ccc1CN[C@H]1CCOC1 ZINC000360956716 183334885 /nfs/dbraw/zinc/33/48/85/183334885.db2.gz WEYGOLGSCJMGJC-INIZCTEOSA-N 0 3 245.366 3.223 20 0 BGADHN c1cc(C2CCCC2)ccc1CN[C@@H]1CCOC1 ZINC000360956718 183334335 /nfs/dbraw/zinc/33/43/35/183334335.db2.gz WEYGOLGSCJMGJC-MRXNPFEDSA-N 0 3 245.366 3.223 20 0 BGADHN Cc1ccc(CN2C[C@@H](C)CC[C@@H]2C)cn1 ZINC000360963957 387376308 /nfs/dbraw/zinc/37/63/08/387376308.db2.gz JLUMROUUQSKPKC-AAEUAGOBSA-N 0 3 218.344 3.010 20 0 BGADHN Cc1ccc(CN2C[C@H](C)CC[C@H]2C)cn1 ZINC000360963958 387375668 /nfs/dbraw/zinc/37/56/68/387375668.db2.gz JLUMROUUQSKPKC-DGCLKSJQSA-N 0 3 218.344 3.010 20 0 BGADHN Cc1ccc(CN2C[C@@H](C)CC[C@H]2C)cn1 ZINC000360963959 387376368 /nfs/dbraw/zinc/37/63/68/387376368.db2.gz JLUMROUUQSKPKC-WCQYABFASA-N 0 3 218.344 3.010 20 0 BGADHN Cc1ccc(CN2C[C@H](C)CC[C@@H]2C)cn1 ZINC000360963960 387375623 /nfs/dbraw/zinc/37/56/23/387375623.db2.gz JLUMROUUQSKPKC-YPMHNXCESA-N 0 3 218.344 3.010 20 0 BGADHN c1cc(CCCN2CCC23CCC3)cs1 ZINC000360965932 183336575 /nfs/dbraw/zinc/33/65/75/183336575.db2.gz LDUHPRQBQUUGBK-UHFFFAOYSA-N 0 3 221.369 3.309 20 0 BGADHN COc1ccc(F)cc1CN[C@@H]1C=CCCC1 ZINC000360965984 175129928 /nfs/dbraw/zinc/12/99/28/175129928.db2.gz JSTRDSHQHJXGQD-CYBMUJFWSA-N 0 3 235.302 3.033 20 0 BGADHN COc1ccc(F)cc1CN[C@H]1C=CCCC1 ZINC000360965985 175129544 /nfs/dbraw/zinc/12/95/44/175129544.db2.gz JSTRDSHQHJXGQD-ZDUSSCGKSA-N 0 3 235.302 3.033 20 0 BGADHN Cc1ccc(CN2CCC(C)(C)CC2)cn1 ZINC000360966049 387378497 /nfs/dbraw/zinc/37/84/97/387378497.db2.gz KSMRXADBJHWLGM-UHFFFAOYSA-N 0 3 218.344 3.012 20 0 BGADHN CCC1CCN(Cc2ccc(C)nc2)CC1 ZINC000360966786 387378825 /nfs/dbraw/zinc/37/88/25/387378825.db2.gz RLZQTYGDPGDVRD-UHFFFAOYSA-N 0 3 218.344 3.012 20 0 BGADHN Cc1ccc(CN2CCC[C@H](C)[C@@H]2C)cn1 ZINC000360966860 387378009 /nfs/dbraw/zinc/37/80/09/387378009.db2.gz SSLFYTHWELSVRS-AAEUAGOBSA-N 0 3 218.344 3.010 20 0 BGADHN Cc1ccc(CN2CCC[C@@H](C)[C@H]2C)cn1 ZINC000360966861 387379118 /nfs/dbraw/zinc/37/91/18/387379118.db2.gz SSLFYTHWELSVRS-DGCLKSJQSA-N 0 3 218.344 3.010 20 0 BGADHN Cc1ccc(CN2CCC[C@H](C)[C@H]2C)cn1 ZINC000360966862 387378839 /nfs/dbraw/zinc/37/88/39/387378839.db2.gz SSLFYTHWELSVRS-WCQYABFASA-N 0 3 218.344 3.010 20 0 BGADHN Cc1ccc(CN2CCC[C@@H](C)[C@@H]2C)cn1 ZINC000360966863 387378678 /nfs/dbraw/zinc/37/86/78/387378678.db2.gz SSLFYTHWELSVRS-YPMHNXCESA-N 0 3 218.344 3.010 20 0 BGADHN Cc1ccc(CN2CCCC(C)(C)C2)cn1 ZINC000360967058 385486455 /nfs/dbraw/zinc/48/64/55/385486455.db2.gz USUKVYBYNFOSAJ-UHFFFAOYSA-N 0 3 218.344 3.012 20 0 BGADHN Cc1ccc(CN2CC[C@@H](C)C3(CCC3)C2)cn1 ZINC000360972897 387377234 /nfs/dbraw/zinc/37/72/34/387377234.db2.gz DSNWKMFEALOWQD-CYBMUJFWSA-N 0 3 244.382 3.402 20 0 BGADHN Cc1ccc(CN2CC[C@H](C)C3(CCC3)C2)cn1 ZINC000360972898 387378529 /nfs/dbraw/zinc/37/85/29/387378529.db2.gz DSNWKMFEALOWQD-ZDUSSCGKSA-N 0 3 244.382 3.402 20 0 BGADHN C[C@@H]1CSCCN1CCCc1ccsc1 ZINC000360974126 176351422 /nfs/dbraw/zinc/35/14/22/176351422.db2.gz DXXPLDOHFCFOHP-LLVKDONJSA-N 0 3 241.425 3.118 20 0 BGADHN C[C@H]1CSCCN1CCCc1ccsc1 ZINC000360974127 177305173 /nfs/dbraw/zinc/30/51/73/177305173.db2.gz DXXPLDOHFCFOHP-NSHDSACASA-N 0 3 241.425 3.118 20 0 BGADHN CC[C@H]1CCCN(Cc2ccc(C)nc2)CC1 ZINC000360974907 387376800 /nfs/dbraw/zinc/37/68/00/387376800.db2.gz RDPWIXFGOZUXQK-AWEZNQCLSA-N 0 3 232.371 3.402 20 0 BGADHN CC[C@@H]1CCCN(Cc2ccc(C)nc2)CC1 ZINC000360974909 356914335 /nfs/dbraw/zinc/91/43/35/356914335.db2.gz RDPWIXFGOZUXQK-CQSZACIVSA-N 0 3 232.371 3.402 20 0 BGADHN CCCCN(Cc1ccc(C)nc1)C1CC1 ZINC000360976057 387377183 /nfs/dbraw/zinc/37/71/83/387377183.db2.gz XSMWMJBLHYMBHJ-UHFFFAOYSA-N 0 3 218.344 3.155 20 0 BGADHN Cc1ccc(CN(C)CC2CCCCC2)cn1 ZINC000360976467 387378165 /nfs/dbraw/zinc/37/81/65/387378165.db2.gz VAHSSSDKXJPUAJ-UHFFFAOYSA-N 0 3 232.371 3.402 20 0 BGADHN CCC1(C)CCN(Cc2ccc(C)nc2)CC1 ZINC000360982275 387380461 /nfs/dbraw/zinc/38/04/61/387380461.db2.gz HZWVXJRIVJUAFN-UHFFFAOYSA-N 0 3 232.371 3.402 20 0 BGADHN CCC[C@@H](C)N(C)Cc1ccc(C)nc1 ZINC000360982616 169364704 /nfs/dbraw/zinc/36/47/04/169364704.db2.gz IWJRRIFPMWYVLJ-GFCCVEGCSA-N 0 3 206.333 3.010 20 0 BGADHN CCC[C@H](C)N(C)Cc1ccc(C)nc1 ZINC000360982617 387380476 /nfs/dbraw/zinc/38/04/76/387380476.db2.gz IWJRRIFPMWYVLJ-LBPRGKRZSA-N 0 3 206.333 3.010 20 0 BGADHN Cc1ccc(CN2CCC[C@H]3CCC[C@H]32)cn1 ZINC000360985020 385494552 /nfs/dbraw/zinc/49/45/52/385494552.db2.gz UGGZSLRFVITSJC-HUUCEWRRSA-N 0 3 230.355 3.155 20 0 BGADHN Cc1ccc(CN2CCC[C@@H]3CCC[C@H]32)cn1 ZINC000360985258 385493507 /nfs/dbraw/zinc/49/35/07/385493507.db2.gz UGGZSLRFVITSJC-LSDHHAIUSA-N 0 3 230.355 3.155 20 0 BGADHN COCCNCc1ccc(C2CCCC2)cc1 ZINC000360985624 174336230 /nfs/dbraw/zinc/33/62/30/174336230.db2.gz HTXJDDQFGSTKDI-UHFFFAOYSA-N 0 3 233.355 3.080 20 0 BGADHN CC[C@@]1(C)CCN(Cc2ccc(C)nc2)C1 ZINC000360987597 171201431 /nfs/dbraw/zinc/20/14/31/171201431.db2.gz RJTDFNOBHUNARG-AWEZNQCLSA-N 0 3 218.344 3.012 20 0 BGADHN CC[C@]1(C)CCN(Cc2ccc(C)nc2)C1 ZINC000360987598 387382114 /nfs/dbraw/zinc/38/21/14/387382114.db2.gz RJTDFNOBHUNARG-CQSZACIVSA-N 0 3 218.344 3.012 20 0 BGADHN CCC1(CC)CCN(Cc2ccc(C)nc2)C1 ZINC000360988185 387383588 /nfs/dbraw/zinc/38/35/88/387383588.db2.gz XASROKKJYACBBR-UHFFFAOYSA-N 0 3 232.371 3.402 20 0 BGADHN CCN(Cc1cnn(C(C)C)c1)CC(C)(C)C ZINC000361008601 356914954 /nfs/dbraw/zinc/91/49/54/356914954.db2.gz GFQMCVNTKHLQAJ-UHFFFAOYSA-N 0 3 237.391 3.332 20 0 BGADHN CCCn1cc(CN(CC)CC(C)(C)C)cn1 ZINC000361010965 387387787 /nfs/dbraw/zinc/38/77/87/387387787.db2.gz QVEXVDHCBHJWGC-UHFFFAOYSA-N 0 3 237.391 3.161 20 0 BGADHN CCN(Cc1ccnn1C(C)C)CC(C)(C)C ZINC000361011016 356915435 /nfs/dbraw/zinc/91/54/35/356915435.db2.gz RLAIKAHSLPFMMC-UHFFFAOYSA-N 0 3 237.391 3.332 20 0 BGADHN CCN(Cc1ccc(C)o1)CC(C)(C)C ZINC000361011662 356915194 /nfs/dbraw/zinc/91/51/94/356915194.db2.gz UJSGKSIVDVSGPH-UHFFFAOYSA-N 0 3 209.333 3.456 20 0 BGADHN C[C@@H](O)CN(C)Cc1ccc(C2CCCC2)cc1 ZINC000361015625 387390742 /nfs/dbraw/zinc/39/07/42/387390742.db2.gz CLGBXHIOMRDVPC-CYBMUJFWSA-N 0 3 247.382 3.157 20 0 BGADHN C[C@H](O)CN(C)Cc1ccc(C2CCCC2)cc1 ZINC000361015626 387390529 /nfs/dbraw/zinc/39/05/29/387390529.db2.gz CLGBXHIOMRDVPC-ZDUSSCGKSA-N 0 3 247.382 3.157 20 0 BGADHN CCN(Cc1cnc2ccccn12)CC(C)(C)C ZINC000361016295 356915230 /nfs/dbraw/zinc/91/52/30/356915230.db2.gz HOFJJBOXNIHOHB-UHFFFAOYSA-N 0 3 245.370 3.202 20 0 BGADHN CCN(Cc1occc1C)CC(C)(C)C ZINC000361017323 356915068 /nfs/dbraw/zinc/91/50/68/356915068.db2.gz MGZADGJHDQZWKX-UHFFFAOYSA-N 0 3 209.333 3.456 20 0 BGADHN CCN(Cc1cc(C)sc1C)C[C@H](C)OC ZINC000361018574 356915183 /nfs/dbraw/zinc/91/51/83/356915183.db2.gz SVWCQMSIIFGMBE-JTQLQIEISA-N 0 3 241.400 3.222 20 0 BGADHN CCN(Cc1cc(C)sc1C)C[C@@H](C)OC ZINC000361018576 356915038 /nfs/dbraw/zinc/91/50/38/356915038.db2.gz SVWCQMSIIFGMBE-SNVBAGLBSA-N 0 3 241.400 3.222 20 0 BGADHN CCN(Cc1coc2ccccc12)C[C@@H](C)OC ZINC000361018840 356915284 /nfs/dbraw/zinc/91/52/84/356915284.db2.gz VPNLZCBWEPYFIB-GFCCVEGCSA-N 0 3 247.338 3.290 20 0 BGADHN CCN(Cc1coc2ccccc12)C[C@H](C)OC ZINC000361018841 356914949 /nfs/dbraw/zinc/91/49/49/356914949.db2.gz VPNLZCBWEPYFIB-LBPRGKRZSA-N 0 3 247.338 3.290 20 0 BGADHN CCN(Cc1ccc(C)cn1)CC(C)(C)C ZINC000361018882 356915034 /nfs/dbraw/zinc/91/50/34/356915034.db2.gz VZPDYHAWANJJKE-UHFFFAOYSA-N 0 3 220.360 3.258 20 0 BGADHN CN(CCCc1ccsc1)Cc1ccco1 ZINC000361020713 387388882 /nfs/dbraw/zinc/38/88/82/387388882.db2.gz POQFDGOBWXNMTB-UHFFFAOYSA-N 0 3 235.352 3.406 20 0 BGADHN CN(CCCc1ccsc1)Cc1ccoc1 ZINC000361020771 387390699 /nfs/dbraw/zinc/39/06/99/387390699.db2.gz QPFWUXAHMCHQJB-UHFFFAOYSA-N 0 3 235.352 3.406 20 0 BGADHN CCN(C/C=C/c1ccccc1)C[C@@H](C)OC ZINC000361021079 387389088 /nfs/dbraw/zinc/38/90/88/387389088.db2.gz DBPYYDWCFZXDRG-BMGYJQCNSA-N 0 3 233.355 3.057 20 0 BGADHN CCN(C/C=C\c1ccccc1)C[C@@H](C)OC ZINC000361021080 387390000 /nfs/dbraw/zinc/39/00/00/387390000.db2.gz DBPYYDWCFZXDRG-KOTGUFOOSA-N 0 3 233.355 3.057 20 0 BGADHN CCN(C/C=C\c1ccccc1)C[C@H](C)OC ZINC000361021081 387389560 /nfs/dbraw/zinc/38/95/60/387389560.db2.gz DBPYYDWCFZXDRG-MSKHEQNASA-N 0 3 233.355 3.057 20 0 BGADHN CCN(C/C=C/c1ccccc1)C[C@H](C)OC ZINC000361021082 387390608 /nfs/dbraw/zinc/39/06/08/387390608.db2.gz DBPYYDWCFZXDRG-ZHZWZMEUSA-N 0 3 233.355 3.057 20 0 BGADHN CCN(Cc1cn2ccccc2n1)CC(C)(C)C ZINC000361022297 356916231 /nfs/dbraw/zinc/91/62/31/356916231.db2.gz KTBSHJOHKVDFNJ-UHFFFAOYSA-N 0 3 245.370 3.202 20 0 BGADHN CCN(Cc1cnn2ccccc12)CC(C)(C)C ZINC000361022355 356916401 /nfs/dbraw/zinc/91/64/01/356916401.db2.gz LRSRWELOPOJCRU-UHFFFAOYSA-N 0 3 245.370 3.202 20 0 BGADHN CC(C)=CCN1Cc2ccc(O)cc2C2(CC2)C1 ZINC000361023075 385511700 /nfs/dbraw/zinc/51/17/00/385511700.db2.gz RSRFCMYDXQCDCC-UHFFFAOYSA-N 0 3 243.350 3.206 20 0 BGADHN CCN(Cc1nc2ccccc2[nH]1)CC(C)(C)C ZINC000361024879 169935249 /nfs/dbraw/zinc/93/52/49/169935249.db2.gz FTLGTDOYXOPXRD-UHFFFAOYSA-N 0 3 245.370 3.431 20 0 BGADHN Cc1ccc([C@@H](C)NCCOCC2CCC2)o1 ZINC000361028551 387392237 /nfs/dbraw/zinc/39/22/37/387392237.db2.gz DGGQNLSNVOECOC-GFCCVEGCSA-N 0 3 237.343 3.055 20 0 BGADHN Cc1ccc([C@H](C)NCCOCC2CCC2)o1 ZINC000361028552 188070037 /nfs/dbraw/zinc/07/00/37/188070037.db2.gz DGGQNLSNVOECOC-LBPRGKRZSA-N 0 3 237.343 3.055 20 0 BGADHN COc1c(O)cccc1CN1CCCC[C@@H](C)C1 ZINC000361037714 397970725 /nfs/dbraw/zinc/97/07/25/397970725.db2.gz MQWWINDDSBNKQD-GFCCVEGCSA-N 0 3 249.354 3.023 20 0 BGADHN COc1c(O)cccc1CN1CCCC[C@H](C)C1 ZINC000361037716 397970678 /nfs/dbraw/zinc/97/06/78/397970678.db2.gz MQWWINDDSBNKQD-LBPRGKRZSA-N 0 3 249.354 3.023 20 0 BGADHN C[C@@H]1CCCC[N@@H+](Cc2cc([O-])cc(F)c2)C1 ZINC000361038804 176064607 /nfs/dbraw/zinc/06/46/07/176064607.db2.gz RTLVXNMBUOTMCR-LLVKDONJSA-N 0 3 237.318 3.153 20 0 BGADHN C[C@@H]1CCCC[N@H+](Cc2cc([O-])cc(F)c2)C1 ZINC000361038804 176064605 /nfs/dbraw/zinc/06/46/05/176064605.db2.gz RTLVXNMBUOTMCR-LLVKDONJSA-N 0 3 237.318 3.153 20 0 BGADHN C[C@H]1CCCC[N@@H+](Cc2cc([O-])cc(F)c2)C1 ZINC000361038805 177071033 /nfs/dbraw/zinc/07/10/33/177071033.db2.gz RTLVXNMBUOTMCR-NSHDSACASA-N 0 3 237.318 3.153 20 0 BGADHN C[C@H]1CCCC[N@H+](Cc2cc([O-])cc(F)c2)C1 ZINC000361038805 177071031 /nfs/dbraw/zinc/07/10/31/177071031.db2.gz RTLVXNMBUOTMCR-NSHDSACASA-N 0 3 237.318 3.153 20 0 BGADHN C[C@@H]1CCCCN(Cc2cccc3c2OCO3)C1 ZINC000361038916 176065396 /nfs/dbraw/zinc/06/53/96/176065396.db2.gz SUSYGEFCDNAZFR-GFCCVEGCSA-N 0 3 247.338 3.037 20 0 BGADHN C[C@H]1CCCCN(Cc2cccc3c2OCO3)C1 ZINC000361038917 177071743 /nfs/dbraw/zinc/07/17/43/177071743.db2.gz SUSYGEFCDNAZFR-LBPRGKRZSA-N 0 3 247.338 3.037 20 0 BGADHN COCCCCCN1Cc2ccccc2[C@H]1C ZINC000361045101 174180379 /nfs/dbraw/zinc/18/03/79/174180379.db2.gz KPNIDZRHYYQERA-CYBMUJFWSA-N 0 3 233.355 3.380 20 0 BGADHN COCCCCCN1Cc2ccccc2[C@@H]1C ZINC000361045102 174179986 /nfs/dbraw/zinc/17/99/86/174179986.db2.gz KPNIDZRHYYQERA-ZDUSSCGKSA-N 0 3 233.355 3.380 20 0 BGADHN CCc1cnc(CN2CCCC[C@@H](C)C2)s1 ZINC000361054267 356915972 /nfs/dbraw/zinc/91/59/72/356915972.db2.gz PFHNSAFDKBHJPB-LLVKDONJSA-N 0 3 238.400 3.328 20 0 BGADHN CCc1cnc(CN2CCCC[C@H](C)C2)s1 ZINC000361054269 356915901 /nfs/dbraw/zinc/91/59/01/356915901.db2.gz PFHNSAFDKBHJPB-NSHDSACASA-N 0 3 238.400 3.328 20 0 BGADHN CCc1ncc(CN2CCCC[C@@H](C)C2)s1 ZINC000361057693 172016415 /nfs/dbraw/zinc/01/64/15/172016415.db2.gz HIJOSRGYPJWDDD-LLVKDONJSA-N 0 3 238.400 3.328 20 0 BGADHN CCc1ncc(CN2CCCC[C@H](C)C2)s1 ZINC000361057694 172017317 /nfs/dbraw/zinc/01/73/17/172017317.db2.gz HIJOSRGYPJWDDD-NSHDSACASA-N 0 3 238.400 3.328 20 0 BGADHN CC(C)N(C/C=C\c1ccccc1)[C@@H]1CCOC1 ZINC000361057861 187381645 /nfs/dbraw/zinc/38/16/45/187381645.db2.gz CGZZQOFAPMLMKJ-CXOKCQFOSA-N 0 3 245.366 3.199 20 0 BGADHN CC(C)N(C/C=C\c1ccccc1)[C@H]1CCOC1 ZINC000361057862 397972629 /nfs/dbraw/zinc/97/26/29/397972629.db2.gz CGZZQOFAPMLMKJ-HWYHOQROSA-N 0 3 245.366 3.199 20 0 BGADHN FCCCCNCc1coc(-c2ccccc2)n1 ZINC000361083522 387398378 /nfs/dbraw/zinc/39/83/78/387398378.db2.gz YTFOFWPSEIHMSR-UHFFFAOYSA-N 0 3 248.301 3.181 20 0 BGADHN C[C@@]1(F)CCN(CCCc2ccsc2)C1 ZINC000361086455 387398270 /nfs/dbraw/zinc/39/82/70/387398270.db2.gz NCQMHUSNQWTSKY-GFCCVEGCSA-N 0 3 227.348 3.115 20 0 BGADHN C[C@]1(F)CCN(CCCc2ccsc2)C1 ZINC000361086456 387398400 /nfs/dbraw/zinc/39/84/00/387398400.db2.gz NCQMHUSNQWTSKY-LBPRGKRZSA-N 0 3 227.348 3.115 20 0 BGADHN CC1=CCN(CCCc2ccsc2)CC1 ZINC000361087972 168110837 /nfs/dbraw/zinc/11/08/37/168110837.db2.gz WCDVFESVRORUAA-UHFFFAOYSA-N 0 3 221.369 3.333 20 0 BGADHN CN(CCCc1ccsc1)Cc1cccnc1 ZINC000361095738 387400969 /nfs/dbraw/zinc/40/09/69/387400969.db2.gz JHBUTJQBYNXTJP-UHFFFAOYSA-N 0 3 246.379 3.208 20 0 BGADHN Cn1ccnc1[C@@H]1CCCN1CCC1CCCC1 ZINC000361101713 387400710 /nfs/dbraw/zinc/40/07/10/387400710.db2.gz JPCFGISIAKAEIK-AWEZNQCLSA-N 0 3 247.386 3.137 20 0 BGADHN Cn1ccnc1[C@H]1CCCN1CCC1CCCC1 ZINC000361101714 387401276 /nfs/dbraw/zinc/40/12/76/387401276.db2.gz JPCFGISIAKAEIK-CQSZACIVSA-N 0 3 247.386 3.137 20 0 BGADHN Cc1ccc(CN2CCC(C)=C(C)C2)o1 ZINC000361106908 168085938 /nfs/dbraw/zinc/08/59/38/168085938.db2.gz GSDCMWNFUMSRQC-UHFFFAOYSA-N 0 3 205.301 3.130 20 0 BGADHN COC1(CN2Cc3ccc(C)cc3C2)CCCC1 ZINC000361110257 387400194 /nfs/dbraw/zinc/40/01/94/387400194.db2.gz GRCPGGKBJMNPIB-UHFFFAOYSA-N 0 3 245.366 3.270 20 0 BGADHN CC[C@@H](C)CN1Cc2ccc(C)cc2C1 ZINC000361110302 387401889 /nfs/dbraw/zinc/40/18/89/387401889.db2.gz GZELGBURRNDVCC-LLVKDONJSA-N 0 3 203.329 3.357 20 0 BGADHN CC[C@H](C)CN1Cc2ccc(C)cc2C1 ZINC000361110304 171283272 /nfs/dbraw/zinc/28/32/72/171283272.db2.gz GZELGBURRNDVCC-NSHDSACASA-N 0 3 203.329 3.357 20 0 BGADHN COCc1cccc(CN2CCC(C)=C(C)C2)c1 ZINC000361114187 387403087 /nfs/dbraw/zinc/40/30/87/387403087.db2.gz RKSXLEAVMZUUEW-UHFFFAOYSA-N 0 3 245.366 3.375 20 0 BGADHN COc1ccsc1CN1CCC(C)=C(C)C1 ZINC000361114357 175376727 /nfs/dbraw/zinc/37/67/27/175376727.db2.gz RVJWDWIEOANACA-UHFFFAOYSA-N 0 3 237.368 3.299 20 0 BGADHN CC1=C(C)CN(Cc2cccs2)CC1 ZINC000361114713 168084434 /nfs/dbraw/zinc/08/44/34/168084434.db2.gz UABBALRHIFUWBX-UHFFFAOYSA-N 0 3 207.342 3.290 20 0 BGADHN Cc1ccc2c(c1)CN(CCC(C)C)C2 ZINC000361116001 187218615 /nfs/dbraw/zinc/21/86/15/187218615.db2.gz ZSRYSNUHTWLXGM-UHFFFAOYSA-N 0 3 203.329 3.357 20 0 BGADHN C=Cc1ccc(CCNCc2cncs2)cc1 ZINC000361120620 387404409 /nfs/dbraw/zinc/40/44/09/387404409.db2.gz CAMJJKOVKZOJAY-UHFFFAOYSA-N 0 3 244.363 3.118 20 0 BGADHN COc1ccc(F)cc1CNCCC1(C)CC1 ZINC000361123306 175130285 /nfs/dbraw/zinc/13/02/85/175130285.db2.gz OJZZVULNXAQEEC-UHFFFAOYSA-N 0 3 237.318 3.114 20 0 BGADHN Cc1ccoc1CN1CCC(C)=C(C)C1 ZINC000361123501 168085910 /nfs/dbraw/zinc/08/59/10/168085910.db2.gz ATGFGHDEJKOGEQ-UHFFFAOYSA-N 0 3 205.301 3.130 20 0 BGADHN COc1ccc(F)cc1CN1CC[C@H]2CCC[C@H]21 ZINC000361124036 175128651 /nfs/dbraw/zinc/12/86/51/175128651.db2.gz QMYGOHVYQGKDSG-BXUZGUMPSA-N 0 3 249.329 3.209 20 0 BGADHN COc1ccc(F)cc1CN1CC[C@@H]2CCC[C@@H]21 ZINC000361124038 175128741 /nfs/dbraw/zinc/12/87/41/175128741.db2.gz QMYGOHVYQGKDSG-FZMZJTMJSA-N 0 3 249.329 3.209 20 0 BGADHN COc1ccc(F)cc1CN1CC[C@H]2CCC[C@@H]21 ZINC000361124041 175128818 /nfs/dbraw/zinc/12/88/18/175128818.db2.gz QMYGOHVYQGKDSG-RISCZKNCSA-N 0 3 249.329 3.209 20 0 BGADHN COc1ccc(F)cc1CN1CC[C@@H]2CCC[C@H]21 ZINC000361124044 175128698 /nfs/dbraw/zinc/12/86/98/175128698.db2.gz QMYGOHVYQGKDSG-SMDDNHRTSA-N 0 3 249.329 3.209 20 0 BGADHN C=Cc1ccc(CCNCc2ccccn2)cc1 ZINC000361124498 187382588 /nfs/dbraw/zinc/38/25/88/187382588.db2.gz SONMACDZFMFJOD-UHFFFAOYSA-N 0 3 238.334 3.057 20 0 BGADHN COc1ccc(F)cc1CN1CCC2(CCC2)C1 ZINC000361124867 175129308 /nfs/dbraw/zinc/12/93/08/175129308.db2.gz UPYZMBXSDFCCOZ-UHFFFAOYSA-N 0 3 249.329 3.210 20 0 BGADHN CC1=C(C)CN(Cc2ccsc2)CC1 ZINC000361125463 168083944 /nfs/dbraw/zinc/08/39/44/168083944.db2.gz JFWHCEPZHCGWDQ-UHFFFAOYSA-N 0 3 207.342 3.290 20 0 BGADHN CCc1cnccc1[C@@H](C)NCCC(F)(F)F ZINC000361127908 356916878 /nfs/dbraw/zinc/91/68/78/356916878.db2.gz BPHLEKWFOQNSGI-SECBINFHSA-N 0 3 246.276 3.247 20 0 BGADHN CCc1cnccc1[C@H](C)NCCC(F)(F)F ZINC000361127909 356917440 /nfs/dbraw/zinc/91/74/40/356917440.db2.gz BPHLEKWFOQNSGI-VIFPVBQESA-N 0 3 246.276 3.247 20 0 BGADHN COc1ccccc1CN1CCC(C)=C(C)C1 ZINC000361128152 175326597 /nfs/dbraw/zinc/32/65/97/175326597.db2.gz QQAPLFMOVKDOBT-UHFFFAOYSA-N 0 3 231.339 3.237 20 0 BGADHN COc1ccc(F)cc1CN[C@H]1CC12CCCC2 ZINC000361134774 175130541 /nfs/dbraw/zinc/13/05/41/175130541.db2.gz ADKYTUNJQAEZHE-AWEZNQCLSA-N 0 3 249.329 3.257 20 0 BGADHN COc1ccc(F)cc1CN[C@@H]1CC12CCCC2 ZINC000361134775 175130061 /nfs/dbraw/zinc/13/00/61/175130061.db2.gz ADKYTUNJQAEZHE-CQSZACIVSA-N 0 3 249.329 3.257 20 0 BGADHN CCc1cnccc1[C@H](C)N[C@@H]1C=CCCC1 ZINC000361136201 356917858 /nfs/dbraw/zinc/91/78/58/356917858.db2.gz PJFMHKYTIYAEIS-GXTWGEPZSA-N 0 3 230.355 3.403 20 0 BGADHN CCc1cnccc1[C@H](C)N[C@H]1C=CCCC1 ZINC000361136202 346397148 /nfs/dbraw/zinc/39/71/48/346397148.db2.gz PJFMHKYTIYAEIS-JSGCOSHPSA-N 0 3 230.355 3.403 20 0 BGADHN CCc1cnccc1[C@@H](C)N[C@H]1C=CCCC1 ZINC000361136203 346397163 /nfs/dbraw/zinc/39/71/63/346397163.db2.gz PJFMHKYTIYAEIS-OCCSQVGLSA-N 0 3 230.355 3.403 20 0 BGADHN CCc1cnccc1[C@@H](C)N[C@@H]1C=CCCC1 ZINC000361136204 346396843 /nfs/dbraw/zinc/39/68/43/346396843.db2.gz PJFMHKYTIYAEIS-TZMCWYRMSA-N 0 3 230.355 3.403 20 0 BGADHN COc1ccc(F)cc1CN1CCCC12CCC2 ZINC000361136561 175128322 /nfs/dbraw/zinc/12/83/22/175128322.db2.gz QGCOIVBSAHMMHA-UHFFFAOYSA-N 0 3 249.329 3.353 20 0 BGADHN C=Cc1ccc(CCNCc2ccco2)cc1 ZINC000361137158 387403595 /nfs/dbraw/zinc/40/35/95/387403595.db2.gz WCKGYQHYVFWLJU-UHFFFAOYSA-N 0 3 227.307 3.255 20 0 BGADHN CN(Cc1ccncc1)c1ccnc2ccccc21 ZINC000361137369 387403582 /nfs/dbraw/zinc/40/35/82/387403582.db2.gz XPHABRGCBKFWJA-UHFFFAOYSA-N 0 3 249.317 3.266 20 0 BGADHN CCc1cnc(CN2CC[C@H](C)[C@H]2CC)s1 ZINC000361139258 356918044 /nfs/dbraw/zinc/91/80/44/356918044.db2.gz GKUMCCVQUXEGSO-CMPLNLGQSA-N 0 3 238.400 3.326 20 0 BGADHN CCc1cnc(CN2CC[C@H](C)[C@@H]2CC)s1 ZINC000361139259 356918090 /nfs/dbraw/zinc/91/80/90/356918090.db2.gz GKUMCCVQUXEGSO-JQWIXIFHSA-N 0 3 238.400 3.326 20 0 BGADHN CCc1cnc(CN2CC[C@@H](C)[C@@H]2CC)s1 ZINC000361139260 356918177 /nfs/dbraw/zinc/91/81/77/356918177.db2.gz GKUMCCVQUXEGSO-PWSUYJOCSA-N 0 3 238.400 3.326 20 0 BGADHN CCc1cnc(CN2CC[C@@H](C)[C@H]2CC)s1 ZINC000361139261 356917969 /nfs/dbraw/zinc/91/79/69/356917969.db2.gz GKUMCCVQUXEGSO-ZYHUDNBSSA-N 0 3 238.400 3.326 20 0 BGADHN CC[C@H]1[C@@H](C)CC[N@H+]1Cc1cc([O-])cc(F)c1 ZINC000361141235 388558979 /nfs/dbraw/zinc/55/89/79/388558979.db2.gz MROCDOLUPSPKDS-HZMBPMFUSA-N 0 3 237.318 3.152 20 0 BGADHN CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1cc([O-])cc(F)c1 ZINC000361141235 388558977 /nfs/dbraw/zinc/55/89/77/388558977.db2.gz MROCDOLUPSPKDS-HZMBPMFUSA-N 0 3 237.318 3.152 20 0 BGADHN CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1cc([O-])cc(F)c1 ZINC000361141236 171156430 /nfs/dbraw/zinc/15/64/30/171156430.db2.gz MROCDOLUPSPKDS-IINYFYTJSA-N 0 3 237.318 3.152 20 0 BGADHN CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cc([O-])cc(F)c1 ZINC000361141236 171156429 /nfs/dbraw/zinc/15/64/29/171156429.db2.gz MROCDOLUPSPKDS-IINYFYTJSA-N 0 3 237.318 3.152 20 0 BGADHN CC[C@@H]1[C@H](C)CC[N@H+]1Cc1cc([O-])cc(F)c1 ZINC000361141237 171160145 /nfs/dbraw/zinc/16/01/45/171160145.db2.gz MROCDOLUPSPKDS-QMTHXVAHSA-N 0 3 237.318 3.152 20 0 BGADHN CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1cc([O-])cc(F)c1 ZINC000361141237 171160144 /nfs/dbraw/zinc/16/01/44/171160144.db2.gz MROCDOLUPSPKDS-QMTHXVAHSA-N 0 3 237.318 3.152 20 0 BGADHN CC[C@H]1[C@H](C)CC[N@H+]1Cc1cc([O-])cc(F)c1 ZINC000361141238 384796063 /nfs/dbraw/zinc/79/60/63/384796063.db2.gz MROCDOLUPSPKDS-YGRLFVJLSA-N 0 3 237.318 3.152 20 0 BGADHN CC[C@H]1[C@H](C)CC[N@@H+]1Cc1cc([O-])cc(F)c1 ZINC000361141238 384796056 /nfs/dbraw/zinc/79/60/56/384796056.db2.gz MROCDOLUPSPKDS-YGRLFVJLSA-N 0 3 237.318 3.152 20 0 BGADHN C[C@@H](NCCCc1ccsc1)c1ccccn1 ZINC000361148471 387407148 /nfs/dbraw/zinc/40/71/48/387407148.db2.gz AXXXBVJKKYRTIV-GFCCVEGCSA-N 0 3 246.379 3.427 20 0 BGADHN C[C@H](NCCCc1ccsc1)c1ccccn1 ZINC000361148472 387407394 /nfs/dbraw/zinc/40/73/94/387407394.db2.gz AXXXBVJKKYRTIV-LBPRGKRZSA-N 0 3 246.379 3.427 20 0 BGADHN C[C@@H](CN[C@H](C)c1ccon1)Cc1ccccc1 ZINC000361151641 387406032 /nfs/dbraw/zinc/40/60/32/387406032.db2.gz FOHJCHFBVBSRAT-CHWSQXEVSA-N 0 3 244.338 3.204 20 0 BGADHN C[C@@H](CN[C@@H](C)c1ccon1)Cc1ccccc1 ZINC000361151643 387406700 /nfs/dbraw/zinc/40/67/00/387406700.db2.gz FOHJCHFBVBSRAT-OLZOCXBDSA-N 0 3 244.338 3.204 20 0 BGADHN C[C@@H](NC[C@@H](C)Cc1ccccc1)c1ccon1 ZINC000361151644 387407384 /nfs/dbraw/zinc/40/73/84/387407384.db2.gz FOHJCHFBVBSRAT-QWHCGFSZSA-N 0 3 244.338 3.204 20 0 BGADHN C[C@H](CN[C@@H](C)c1ccon1)Cc1ccccc1 ZINC000361151646 387406424 /nfs/dbraw/zinc/40/64/24/387406424.db2.gz FOHJCHFBVBSRAT-STQMWFEESA-N 0 3 244.338 3.204 20 0 BGADHN COc1ccc(F)cc1CN1CCC(C)(C)C1 ZINC000361176060 175128754 /nfs/dbraw/zinc/12/87/54/175128754.db2.gz BYDFYXWQNTYDON-UHFFFAOYSA-N 0 3 237.318 3.066 20 0 BGADHN CC[C@@H]1CCN(Cc2cc(F)ccc2OC)C1 ZINC000361177709 171011493 /nfs/dbraw/zinc/01/14/93/171011493.db2.gz JCGDPOAWRACOQL-LLVKDONJSA-N 0 3 237.318 3.066 20 0 BGADHN CC[C@H]1CCN(Cc2cc(F)ccc2OC)C1 ZINC000361177710 387411143 /nfs/dbraw/zinc/41/11/43/387411143.db2.gz JCGDPOAWRACOQL-NSHDSACASA-N 0 3 237.318 3.066 20 0 BGADHN CC[C@H](C)N[C@@H]1CCOc2c(F)ccc(F)c21 ZINC000361185178 171347152 /nfs/dbraw/zinc/34/71/52/171347152.db2.gz DNEXWNBYNYRGRG-GZMMTYOYSA-N 0 3 241.281 3.177 20 0 BGADHN CC[C@@H](C)N[C@H]1CCOc2c(F)ccc(F)c21 ZINC000361185179 387411913 /nfs/dbraw/zinc/41/19/13/387411913.db2.gz DNEXWNBYNYRGRG-KCJUWKMLSA-N 0 3 241.281 3.177 20 0 BGADHN CC[C@H](C)N[C@H]1CCOc2c(F)ccc(F)c21 ZINC000361185180 171348949 /nfs/dbraw/zinc/34/89/49/171348949.db2.gz DNEXWNBYNYRGRG-KWQFWETISA-N 0 3 241.281 3.177 20 0 BGADHN CC[C@@H](C)N[C@@H]1CCOc2c(F)ccc(F)c21 ZINC000361185181 387412878 /nfs/dbraw/zinc/41/28/78/387412878.db2.gz DNEXWNBYNYRGRG-LDYMZIIASA-N 0 3 241.281 3.177 20 0 BGADHN COc1ccc(F)cc1CN1CC[C@@H](C)[C@H]1C ZINC000361185396 175129207 /nfs/dbraw/zinc/12/92/07/175129207.db2.gz FVXFSISULVJHGR-GHMZBOCLSA-N 0 3 237.318 3.065 20 0 BGADHN COc1ccc(F)cc1CN1CC[C@@H](C)[C@@H]1C ZINC000361185397 175128599 /nfs/dbraw/zinc/12/85/99/175128599.db2.gz FVXFSISULVJHGR-MNOVXSKESA-N 0 3 237.318 3.065 20 0 BGADHN COc1ccc(F)cc1CN1CC[C@H](C)[C@@H]1C ZINC000361185398 175129188 /nfs/dbraw/zinc/12/91/88/175129188.db2.gz FVXFSISULVJHGR-QWRGUYRKSA-N 0 3 237.318 3.065 20 0 BGADHN COc1ccc(F)cc1CN1CC[C@H](C)[C@H]1C ZINC000361185399 175128909 /nfs/dbraw/zinc/12/89/09/175128909.db2.gz FVXFSISULVJHGR-WDEREUQCSA-N 0 3 237.318 3.065 20 0 BGADHN COc1ccc(F)cc1CN1[C@H](C)CC[C@H]1C ZINC000361187274 175129327 /nfs/dbraw/zinc/12/93/27/175129327.db2.gz OLWDDXXELXRZFR-GHMZBOCLSA-N 0 3 237.318 3.207 20 0 BGADHN COc1ccc(F)cc1CN1[C@H](C)CC[C@@H]1C ZINC000361187275 175128730 /nfs/dbraw/zinc/12/87/30/175128730.db2.gz OLWDDXXELXRZFR-PHIMTYICSA-N 0 3 237.318 3.207 20 0 BGADHN COc1ccc(F)cc1CN1[C@@H](C)CC[C@@H]1C ZINC000361187276 175128710 /nfs/dbraw/zinc/12/87/10/175128710.db2.gz OLWDDXXELXRZFR-QWRGUYRKSA-N 0 3 237.318 3.207 20 0 BGADHN COc1ccc(F)cc1CN(C)CCC1CC1 ZINC000361189051 175129396 /nfs/dbraw/zinc/12/93/96/175129396.db2.gz MOTARQBEQKVMQS-UHFFFAOYSA-N 0 3 237.318 3.066 20 0 BGADHN COc1ccc(F)cc1CN1C[C@@H]2CCC[C@H]2C1 ZINC000361191746 175128855 /nfs/dbraw/zinc/12/88/55/175128855.db2.gz UFEQMBMMOCKHPV-RYUDHWBXSA-N 0 3 249.329 3.066 20 0 BGADHN COc1ccc(F)cc1CN1C[C@@H]2CCC[C@@H]2C1 ZINC000361191747 175128737 /nfs/dbraw/zinc/12/87/37/175128737.db2.gz UFEQMBMMOCKHPV-TXEJJXNPSA-N 0 3 249.329 3.066 20 0 BGADHN COc1ccc(F)cc1CN1C[C@H]2CCC[C@@H]2C1 ZINC000361191748 175128295 /nfs/dbraw/zinc/12/82/95/175128295.db2.gz UFEQMBMMOCKHPV-VXGBXAGGSA-N 0 3 249.329 3.066 20 0 BGADHN CCN(Cc1ccc(Cl)cc1OC)C1CC1 ZINC000361209688 356919398 /nfs/dbraw/zinc/91/93/98/356919398.db2.gz UREXJYIWTUVSLG-UHFFFAOYSA-N 0 3 239.746 3.333 20 0 BGADHN CC(C)CN[C@@H]1CCOc2c(F)ccc(F)c21 ZINC000361228033 167011578 /nfs/dbraw/zinc/01/15/78/167011578.db2.gz JIAIYVQPGNESJT-LLVKDONJSA-N 0 3 241.281 3.034 20 0 BGADHN CC(C)CN[C@H]1CCOc2c(F)ccc(F)c21 ZINC000361228034 167014868 /nfs/dbraw/zinc/01/48/68/167014868.db2.gz JIAIYVQPGNESJT-NSHDSACASA-N 0 3 241.281 3.034 20 0 BGADHN COc1cc(Cl)ccc1CN(C)CC1CC1 ZINC000361230627 387419299 /nfs/dbraw/zinc/41/92/99/387419299.db2.gz QAYQRRGAKMSBJZ-UHFFFAOYSA-N 0 3 239.746 3.190 20 0 BGADHN CCN(CC)Cc1ccc(Cl)cc1OC ZINC000361231100 169790622 /nfs/dbraw/zinc/79/06/22/169790622.db2.gz RTJLNPXCVCBWIU-UHFFFAOYSA-N 0 3 227.735 3.190 20 0 BGADHN CCN(Cc1coc2ccccc12)[C@@H]1CCOC1 ZINC000361239020 356921790 /nfs/dbraw/zinc/92/17/90/356921790.db2.gz XJADZPBFSNLZQS-CYBMUJFWSA-N 0 3 245.322 3.044 20 0 BGADHN CCN(Cc1coc2ccccc12)[C@H]1CCOC1 ZINC000361239021 356921941 /nfs/dbraw/zinc/92/19/41/356921941.db2.gz XJADZPBFSNLZQS-ZDUSSCGKSA-N 0 3 245.322 3.044 20 0 BGADHN CC1(CN2CC(c3ccccc3F)C2)CCC1 ZINC000361239869 168024219 /nfs/dbraw/zinc/02/42/19/168024219.db2.gz YYWKXABYXCSCNP-UHFFFAOYSA-N 0 3 233.330 3.415 20 0 BGADHN CCN(Cc1ccc2occc2c1)[C@H]1CCOC1 ZINC000361250581 356921376 /nfs/dbraw/zinc/92/13/76/356921376.db2.gz LCJIILHXTIQMLR-AWEZNQCLSA-N 0 3 245.322 3.044 20 0 BGADHN CCN(Cc1ccc2occc2c1)[C@@H]1CCOC1 ZINC000361250582 356922004 /nfs/dbraw/zinc/92/20/04/356922004.db2.gz LCJIILHXTIQMLR-CQSZACIVSA-N 0 3 245.322 3.044 20 0 BGADHN CCN(Cc1cc(Cl)cs1)[C@H]1CCOC1 ZINC000361251047 356922224 /nfs/dbraw/zinc/92/22/24/356922224.db2.gz LCPWCYUWNWZWLL-JTQLQIEISA-N 0 3 245.775 3.012 20 0 BGADHN CCN(Cc1cc(Cl)cs1)[C@@H]1CCOC1 ZINC000361251048 356922194 /nfs/dbraw/zinc/92/21/94/356922194.db2.gz LCPWCYUWNWZWLL-SNVBAGLBSA-N 0 3 245.775 3.012 20 0 BGADHN C[C@@H]1CN([C@@H]2C[C@@H]2c2ccccc2)CC(C)(C)O1 ZINC000361258863 176316278 /nfs/dbraw/zinc/31/62/78/176316278.db2.gz LXCPCJVZEXUDMF-BPLDGKMQSA-N 0 3 245.366 3.042 20 0 BGADHN Cc1ccc(CN2C[C@H](C)CC(C)(C)C2)cn1 ZINC000361262937 387427106 /nfs/dbraw/zinc/42/71/06/387427106.db2.gz QBBJYDQKZVIBRU-GFCCVEGCSA-N 0 3 232.371 3.258 20 0 BGADHN Cc1ccc(CN2C[C@@H](C)CC(C)(C)C2)cn1 ZINC000361262938 387427233 /nfs/dbraw/zinc/42/72/33/387427233.db2.gz QBBJYDQKZVIBRU-LBPRGKRZSA-N 0 3 232.371 3.258 20 0 BGADHN CCCN(C)Cc1ccc(Cl)cc1OC ZINC000361269151 169081225 /nfs/dbraw/zinc/08/12/25/169081225.db2.gz ZAGZYEBCESVEAC-UHFFFAOYSA-N 0 3 227.735 3.190 20 0 BGADHN CCN(CCC1CC1)Cc1ccc(C)nc1 ZINC000361272110 387429986 /nfs/dbraw/zinc/42/99/86/387429986.db2.gz MUTJVCOUOKIRHQ-UHFFFAOYSA-N 0 3 218.344 3.012 20 0 BGADHN Cc1ccc(CN2CC[C@@H](C)C(C)(C)C2)cn1 ZINC000361272277 387428292 /nfs/dbraw/zinc/42/82/92/387428292.db2.gz NFHOOSKFDHAFOD-GFCCVEGCSA-N 0 3 232.371 3.258 20 0 BGADHN Cc1ccc(CN2CC[C@H](C)C(C)(C)C2)cn1 ZINC000361272280 387428573 /nfs/dbraw/zinc/42/85/73/387428573.db2.gz NFHOOSKFDHAFOD-LBPRGKRZSA-N 0 3 232.371 3.258 20 0 BGADHN CC(C)CC[C@@H](O)CN(C)[C@H](C)c1ccco1 ZINC000361272331 387428597 /nfs/dbraw/zinc/42/85/97/387428597.db2.gz KINPAWCZJCNHBQ-CHWSQXEVSA-N 0 3 239.359 3.070 20 0 BGADHN CC(C)CC[C@H](O)CN(C)[C@H](C)c1ccco1 ZINC000361272332 356924462 /nfs/dbraw/zinc/92/44/62/356924462.db2.gz KINPAWCZJCNHBQ-OLZOCXBDSA-N 0 3 239.359 3.070 20 0 BGADHN CC(C)CC[C@@H](O)CN(C)[C@@H](C)c1ccco1 ZINC000361272334 387429452 /nfs/dbraw/zinc/42/94/52/387429452.db2.gz KINPAWCZJCNHBQ-QWHCGFSZSA-N 0 3 239.359 3.070 20 0 BGADHN CC(C)CC[C@H](O)CN(C)[C@@H](C)c1ccco1 ZINC000361272336 356924097 /nfs/dbraw/zinc/92/40/97/356924097.db2.gz KINPAWCZJCNHBQ-STQMWFEESA-N 0 3 239.359 3.070 20 0 BGADHN C[C@@H]1CCN(Cc2cc[nH]n2)CC12CCCCC2 ZINC000361273496 176173388 /nfs/dbraw/zinc/17/33/88/176173388.db2.gz STFJKBYYDVZHNN-CYBMUJFWSA-N 0 3 247.386 3.202 20 0 BGADHN C[C@H]1CCN(Cc2cc[nH]n2)CC12CCCCC2 ZINC000361273497 177163212 /nfs/dbraw/zinc/16/32/12/177163212.db2.gz STFJKBYYDVZHNN-ZDUSSCGKSA-N 0 3 247.386 3.202 20 0 BGADHN C[C@@H]1CCN(Cc2cnc[nH]2)CC12CCCCC2 ZINC000361273832 176177987 /nfs/dbraw/zinc/17/79/87/176177987.db2.gz VCGORJLWUPIZBK-CYBMUJFWSA-N 0 3 247.386 3.202 20 0 BGADHN C[C@@H]1CCN(Cc2c[nH]cn2)CC12CCCCC2 ZINC000361273832 176177986 /nfs/dbraw/zinc/17/79/86/176177986.db2.gz VCGORJLWUPIZBK-CYBMUJFWSA-N 0 3 247.386 3.202 20 0 BGADHN C[C@H]1CCN(Cc2cnc[nH]2)CC12CCCCC2 ZINC000361273833 177167564 /nfs/dbraw/zinc/16/75/64/177167564.db2.gz VCGORJLWUPIZBK-ZDUSSCGKSA-N 0 3 247.386 3.202 20 0 BGADHN C[C@H]1CCN(Cc2c[nH]cn2)CC12CCCCC2 ZINC000361273833 177167562 /nfs/dbraw/zinc/16/75/62/177167562.db2.gz VCGORJLWUPIZBK-ZDUSSCGKSA-N 0 3 247.386 3.202 20 0 BGADHN Cc1ccc(CN2CC[C@]3(CC[C@@H](C)C3)C2)cn1 ZINC000361276360 387429332 /nfs/dbraw/zinc/42/93/32/387429332.db2.gz ZWAMHNXOIWLMCK-CJNGLKHVSA-N 0 3 244.382 3.402 20 0 BGADHN Cc1ccc(CN2CC[C@@]3(CC[C@@H](C)C3)C2)cn1 ZINC000361276361 387429857 /nfs/dbraw/zinc/42/98/57/387429857.db2.gz ZWAMHNXOIWLMCK-CZUORRHYSA-N 0 3 244.382 3.402 20 0 BGADHN CCN(Cc1cncc(C(F)(F)F)c1)C(C)C ZINC000361283486 356924483 /nfs/dbraw/zinc/92/44/83/356924483.db2.gz ZDKOUHASHYWIJH-UHFFFAOYSA-N 0 3 246.276 3.331 20 0 BGADHN CCCN(CC)Cc1cncc(C(F)(F)F)c1 ZINC000361285299 169129218 /nfs/dbraw/zinc/12/92/18/169129218.db2.gz CQESBFWJXRLYAD-UHFFFAOYSA-N 0 3 246.276 3.332 20 0 BGADHN CC(C)CN(C)Cc1cncc(C(F)(F)F)c1 ZINC000361287095 356923814 /nfs/dbraw/zinc/92/38/14/356923814.db2.gz JITNQEKVTQLXAX-UHFFFAOYSA-N 0 3 246.276 3.188 20 0 BGADHN CCN(Cc1cncc(C(F)(F)F)c1)C1CC1 ZINC000361287263 356924185 /nfs/dbraw/zinc/92/41/85/356924185.db2.gz IYWQVGGZAJGENJ-UHFFFAOYSA-N 0 3 244.260 3.085 20 0 BGADHN CCCCN(C)Cc1cncc(C(F)(F)F)c1 ZINC000361287516 387430834 /nfs/dbraw/zinc/43/08/34/387430834.db2.gz LDOUSHSFFPSLIO-UHFFFAOYSA-N 0 3 246.276 3.332 20 0 BGADHN COc1cc(Cl)ccc1CN(C)C1CCC1 ZINC000361289045 387431262 /nfs/dbraw/zinc/43/12/62/387431262.db2.gz QKNVHBUOVXLPLT-UHFFFAOYSA-N 0 3 239.746 3.333 20 0 BGADHN COCC1(CN(C)[C@H](C)c2ccco2)CCC1 ZINC000361294955 174096512 /nfs/dbraw/zinc/09/65/12/174096512.db2.gz CFYAYHXKEAOIKM-GFCCVEGCSA-N 0 3 237.343 3.089 20 0 BGADHN COCC1(CN(C)[C@@H](C)c2ccco2)CCC1 ZINC000361294956 174096376 /nfs/dbraw/zinc/09/63/76/174096376.db2.gz CFYAYHXKEAOIKM-LBPRGKRZSA-N 0 3 237.343 3.089 20 0 BGADHN CC(C)CC[C@@H](O)CN1Cc2ccccc2[C@@H]1C ZINC000361300477 387433532 /nfs/dbraw/zinc/43/35/32/387433532.db2.gz LNPMLQVCRNRXLB-DZGCQCFKSA-N 0 3 247.382 3.360 20 0 BGADHN CC(C)CC[C@H](O)CN1Cc2ccccc2[C@H]1C ZINC000361300478 356925736 /nfs/dbraw/zinc/92/57/36/356925736.db2.gz LNPMLQVCRNRXLB-HIFRSBDPSA-N 0 3 247.382 3.360 20 0 BGADHN CC(C)CC[C@@H](O)CN1Cc2ccccc2[C@H]1C ZINC000361300479 187218771 /nfs/dbraw/zinc/21/87/71/187218771.db2.gz LNPMLQVCRNRXLB-UKRRQHHQSA-N 0 3 247.382 3.360 20 0 BGADHN CC(C)CC[C@H](O)CN1Cc2ccccc2[C@@H]1C ZINC000361300480 356925815 /nfs/dbraw/zinc/92/58/15/356925815.db2.gz LNPMLQVCRNRXLB-ZFWWWQNUSA-N 0 3 247.382 3.360 20 0 BGADHN CC[C@@H](C)N(C)Cc1cncc(C(F)(F)F)c1 ZINC000361313143 387436748 /nfs/dbraw/zinc/43/67/48/387436748.db2.gz HWYVPSGZUHWSCK-SECBINFHSA-N 0 3 246.276 3.331 20 0 BGADHN CC[C@H](C)N(C)Cc1cncc(C(F)(F)F)c1 ZINC000361313144 171310066 /nfs/dbraw/zinc/31/00/66/171310066.db2.gz HWYVPSGZUHWSCK-VIFPVBQESA-N 0 3 246.276 3.331 20 0 BGADHN COCC1(CN2Cc3ccccc3[C@H]2C)CCC1 ZINC000361313480 174100200 /nfs/dbraw/zinc/10/02/00/174100200.db2.gz LBTYCKSYXGNPKN-CYBMUJFWSA-N 0 3 245.366 3.380 20 0 BGADHN COCC1(CN2Cc3ccccc3[C@@H]2C)CCC1 ZINC000361313481 174099201 /nfs/dbraw/zinc/09/92/01/174099201.db2.gz LBTYCKSYXGNPKN-ZDUSSCGKSA-N 0 3 245.366 3.380 20 0 BGADHN CC(C)CC[C@H](O)CNC1(c2ccccc2)CC1 ZINC000361314206 356925224 /nfs/dbraw/zinc/92/52/24/356925224.db2.gz CHCHATPPOBMNOQ-HNNXBMFYSA-N 0 3 247.382 3.062 20 0 BGADHN CC(C)CC[C@@H](O)CNC1(c2ccccc2)CC1 ZINC000361314207 187218889 /nfs/dbraw/zinc/21/88/89/187218889.db2.gz CHCHATPPOBMNOQ-OAHLLOKOSA-N 0 3 247.382 3.062 20 0 BGADHN Cc1noc(C)c1CN1CCC[C@@H](C(C)C)C1 ZINC000361319349 387439533 /nfs/dbraw/zinc/43/95/33/387439533.db2.gz CMNYLMJHANAGPZ-CYBMUJFWSA-N 0 3 236.359 3.159 20 0 BGADHN Cc1noc(C)c1CN1CCC[C@H](C(C)C)C1 ZINC000361319350 397766359 /nfs/dbraw/zinc/76/63/59/397766359.db2.gz CMNYLMJHANAGPZ-ZDUSSCGKSA-N 0 3 236.359 3.159 20 0 BGADHN CN(Cc1cncc(C(F)(F)F)c1)C1CCC1 ZINC000361326684 397975518 /nfs/dbraw/zinc/97/55/18/397975518.db2.gz ZSSMHAPPLUBYRC-UHFFFAOYSA-N 0 3 244.260 3.085 20 0 BGADHN CC(C)C1CCC(N(C)Cc2cnc[nH]2)CC1 ZINC000361327183 397976209 /nfs/dbraw/zinc/97/62/09/397976209.db2.gz UBDYSFCSFVCNRJ-UHFFFAOYSA-N 0 3 235.375 3.056 20 0 BGADHN CC(C)C1CCC(N(C)Cc2c[nH]cn2)CC1 ZINC000361327183 397976203 /nfs/dbraw/zinc/97/62/03/397976203.db2.gz UBDYSFCSFVCNRJ-UHFFFAOYSA-N 0 3 235.375 3.056 20 0 BGADHN Cc1noc(C)c1CN1CCCCC(C)(C)C1 ZINC000361331028 397976723 /nfs/dbraw/zinc/97/67/23/397976723.db2.gz LMKYMVLQKBGRBZ-UHFFFAOYSA-N 0 3 236.359 3.304 20 0 BGADHN Cc1noc(C)c1CN1CCCC2(CCCC2)C1 ZINC000361332277 387442189 /nfs/dbraw/zinc/44/21/89/387442189.db2.gz RVYBDKNJYGFZIW-UHFFFAOYSA-N 0 3 248.370 3.448 20 0 BGADHN CO[C@@H]1CCN([C@@H](C)c2cccc(Cl)c2)C1 ZINC000361356713 387448102 /nfs/dbraw/zinc/44/81/02/387448102.db2.gz OMARYTYTJMWCEX-GXFFZTMASA-N 0 3 239.746 3.122 20 0 BGADHN CO[C@@H]1CCN([C@H](C)c2cccc(Cl)c2)C1 ZINC000361356714 387447215 /nfs/dbraw/zinc/44/72/15/387447215.db2.gz OMARYTYTJMWCEX-ZWNOBZJWSA-N 0 3 239.746 3.122 20 0 BGADHN CO[C@@H]1CCN([C@H](C)c2ccccc2Cl)C1 ZINC000361374382 387448647 /nfs/dbraw/zinc/44/86/47/387448647.db2.gz XFAKHKJOGFYZNW-GHMZBOCLSA-N 0 3 239.746 3.122 20 0 BGADHN CO[C@@H]1CCN([C@@H](C)c2ccccc2Cl)C1 ZINC000361374383 387450406 /nfs/dbraw/zinc/45/04/06/387450406.db2.gz XFAKHKJOGFYZNW-WDEREUQCSA-N 0 3 239.746 3.122 20 0 BGADHN c1ccc([C@@H]2CCN2CCc2ccccn2)cc1 ZINC000361385629 387453091 /nfs/dbraw/zinc/45/30/91/387453091.db2.gz QYPHTJYZTHSVBX-INIZCTEOSA-N 0 3 238.334 3.071 20 0 BGADHN c1ccc([C@H]2CCN2CCc2ccccn2)cc1 ZINC000361385630 387452409 /nfs/dbraw/zinc/45/24/09/387452409.db2.gz QYPHTJYZTHSVBX-MRXNPFEDSA-N 0 3 238.334 3.071 20 0 BGADHN COCC1(CN2Cc3ccc(C)cc3C2)CCC1 ZINC000361395259 174099960 /nfs/dbraw/zinc/09/99/60/174099960.db2.gz MUSMABKWVPDCKA-UHFFFAOYSA-N 0 3 245.366 3.127 20 0 BGADHN CC1(C)COCCN1CCCC1CCCC1 ZINC000361398541 356929257 /nfs/dbraw/zinc/92/92/57/356929257.db2.gz VFZOSRFLPLKCHC-UHFFFAOYSA-N 0 3 225.376 3.068 20 0 BGADHN c1ccc([C@@H]2CCN2CCc2cccnc2)cc1 ZINC000361400506 387455810 /nfs/dbraw/zinc/45/58/10/387455810.db2.gz PIIWQOTVDZZOLN-INIZCTEOSA-N 0 3 238.334 3.071 20 0 BGADHN c1ccc([C@H]2CCN2CCc2cccnc2)cc1 ZINC000361400507 387454302 /nfs/dbraw/zinc/45/43/02/387454302.db2.gz PIIWQOTVDZZOLN-MRXNPFEDSA-N 0 3 238.334 3.071 20 0 BGADHN CCCCCN(C)Cc1cnccc1C ZINC000361414663 387457552 /nfs/dbraw/zinc/45/75/52/387457552.db2.gz WMLIJXNOFKFGOZ-UHFFFAOYSA-N 0 3 206.333 3.012 20 0 BGADHN Cc1ccc(NC(=O)C(C)C(F)(F)F)cc1F ZINC000361431405 387461615 /nfs/dbraw/zinc/46/16/15/387461615.db2.gz DBMVRXPQXCNWIM-SSDOTTSWSA-N 0 3 249.207 3.271 20 0 BGADHN Cc1ccc(NC(=O)C(C)C(F)(F)F)cc1F ZINC000361431406 387462682 /nfs/dbraw/zinc/46/26/82/387462682.db2.gz DBMVRXPQXCNWIM-ZETCQYMHSA-N 0 3 249.207 3.271 20 0 BGADHN CC/C=C/CCN(C)Cc1cnccc1C ZINC000361433907 387463051 /nfs/dbraw/zinc/46/30/51/387463051.db2.gz JLORUCNOGKDKBS-AATRIKPKSA-N 0 3 218.344 3.178 20 0 BGADHN CC/C=C\CCN(C)Cc1cnccc1C ZINC000361433908 387459996 /nfs/dbraw/zinc/45/99/96/387459996.db2.gz JLORUCNOGKDKBS-WAYWQWQTSA-N 0 3 218.344 3.178 20 0 BGADHN Cc1ccncc1CN(C)CCC1CCCC1 ZINC000361437471 188244377 /nfs/dbraw/zinc/24/43/77/188244377.db2.gz LOBQROGNNIWGKI-UHFFFAOYSA-N 0 3 232.371 3.402 20 0 BGADHN CN(Cc1ccc(F)cn1)[C@@H]1CCC(C)(C)C1 ZINC000361467118 387466946 /nfs/dbraw/zinc/46/69/46/387466946.db2.gz BENOVAXMAFBNIB-CYBMUJFWSA-N 0 3 236.334 3.231 20 0 BGADHN CN(Cc1ccc(F)cn1)[C@H]1CCC(C)(C)C1 ZINC000361467120 387466123 /nfs/dbraw/zinc/46/61/23/387466123.db2.gz BENOVAXMAFBNIB-ZDUSSCGKSA-N 0 3 236.334 3.231 20 0 BGADHN COc1ncccc1CN(C)[C@@H]1CCC(C)(C)C1 ZINC000361468643 384631323 /nfs/dbraw/zinc/63/13/23/384631323.db2.gz ICLVJDNQFJACKS-CYBMUJFWSA-N 0 3 248.370 3.101 20 0 BGADHN COc1ncccc1CN(C)[C@H]1CCC(C)(C)C1 ZINC000361468644 384631524 /nfs/dbraw/zinc/63/15/24/384631524.db2.gz ICLVJDNQFJACKS-ZDUSSCGKSA-N 0 3 248.370 3.101 20 0 BGADHN COc1cc(CN(C)[C@@H]2CCC(C)(C)C2)ccn1 ZINC000361470948 387467205 /nfs/dbraw/zinc/46/72/05/387467205.db2.gz WOJOVRPVPVRWPO-CYBMUJFWSA-N 0 3 248.370 3.101 20 0 BGADHN COc1cc(CN(C)[C@H]2CCC(C)(C)C2)ccn1 ZINC000361470949 387466820 /nfs/dbraw/zinc/46/68/20/387466820.db2.gz WOJOVRPVPVRWPO-ZDUSSCGKSA-N 0 3 248.370 3.101 20 0 BGADHN COc1ccnc(CN(C)[C@@H]2CCC(C)(C)C2)c1 ZINC000361472446 175358312 /nfs/dbraw/zinc/35/83/12/175358312.db2.gz XQYFHWODGQTNEA-CYBMUJFWSA-N 0 3 248.370 3.101 20 0 BGADHN COc1ccnc(CN(C)[C@H]2CCC(C)(C)C2)c1 ZINC000361472447 175359281 /nfs/dbraw/zinc/35/92/81/175359281.db2.gz XQYFHWODGQTNEA-ZDUSSCGKSA-N 0 3 248.370 3.101 20 0 BGADHN CC(C)n1ccc(CN(C)[C@H]2CCC(C)(C)C2)n1 ZINC000361472522 387467330 /nfs/dbraw/zinc/46/73/30/387467330.db2.gz YKEIOYKCKLOHDZ-AWEZNQCLSA-N 0 3 249.402 3.475 20 0 BGADHN CC(C)n1ccc(CN(C)[C@@H]2CCC(C)(C)C2)n1 ZINC000361472523 387466632 /nfs/dbraw/zinc/46/66/32/387466632.db2.gz YKEIOYKCKLOHDZ-CQSZACIVSA-N 0 3 249.402 3.475 20 0 BGADHN CCN(CC1CCC1)[C@H](C)c1ncc(C)o1 ZINC000361480937 387469986 /nfs/dbraw/zinc/46/99/86/387469986.db2.gz HXPBANWLYMYKHD-LLVKDONJSA-N 0 3 222.332 3.166 20 0 BGADHN CCN(CC1CCC1)[C@@H](C)c1ncc(C)o1 ZINC000361480938 387469037 /nfs/dbraw/zinc/46/90/37/387469037.db2.gz HXPBANWLYMYKHD-NSHDSACASA-N 0 3 222.332 3.166 20 0 BGADHN CCN(Cc1nc2ccccc2o1)CC1CCC1 ZINC000361481513 356930562 /nfs/dbraw/zinc/93/05/62/356930562.db2.gz NXIVKRBDZKVHFU-UHFFFAOYSA-N 0 3 244.338 3.450 20 0 BGADHN CCN(Cc1cn2ccsc2n1)CC1CCC1 ZINC000361481856 356930656 /nfs/dbraw/zinc/93/06/56/356930656.db2.gz RNXSEUXWLMWOIA-UHFFFAOYSA-N 0 3 249.383 3.018 20 0 BGADHN COC1(CN(C)Cc2ccco2)CCCCC1 ZINC000361484131 387469761 /nfs/dbraw/zinc/46/97/61/387469761.db2.gz HUSRKXRTLAEWRB-UHFFFAOYSA-N 0 3 237.343 3.061 20 0 BGADHN COC1(CN(C)Cc2cccs2)CCCC1 ZINC000361508871 387477217 /nfs/dbraw/zinc/47/72/17/387477217.db2.gz QOYXRVFXFIAIOI-UHFFFAOYSA-N 0 3 239.384 3.139 20 0 BGADHN COC1(CN(C)[C@H](C)c2ccco2)CCCC1 ZINC000361509436 387477105 /nfs/dbraw/zinc/47/71/05/387477105.db2.gz VAXBHUMHSNABMZ-GFCCVEGCSA-N 0 3 237.343 3.232 20 0 BGADHN COC1(CN(C)[C@@H](C)c2ccco2)CCCC1 ZINC000361509437 387477639 /nfs/dbraw/zinc/47/76/39/387477639.db2.gz VAXBHUMHSNABMZ-LBPRGKRZSA-N 0 3 237.343 3.232 20 0 BGADHN CCCN(CC)Cc1ccc(N(C)C(C)C)nc1 ZINC000361511415 169130636 /nfs/dbraw/zinc/13/06/36/169130636.db2.gz ROMQOWWXUNRYSG-UHFFFAOYSA-N 0 3 249.402 3.158 20 0 BGADHN Cc1oncc1CN1CCC[C@@H](C(C)(C)C)C1 ZINC000361541117 387481915 /nfs/dbraw/zinc/48/19/15/387481915.db2.gz MEPZRIMVPZTYKP-CYBMUJFWSA-N 0 3 236.359 3.241 20 0 BGADHN Cc1oncc1CN1CCC[C@H](C(C)(C)C)C1 ZINC000361541118 387481537 /nfs/dbraw/zinc/48/15/37/387481537.db2.gz MEPZRIMVPZTYKP-ZDUSSCGKSA-N 0 3 236.359 3.241 20 0 BGADHN COC1(CN(C)Cc2ccoc2)CCCCC1 ZINC000361550787 387483791 /nfs/dbraw/zinc/48/37/91/387483791.db2.gz SUBAUYULXLEIHP-UHFFFAOYSA-N 0 3 237.343 3.061 20 0 BGADHN Cc1cc(CN2CCC[C@@H](C(C)(C)C)C2)no1 ZINC000361551536 387487568 /nfs/dbraw/zinc/48/75/68/387487568.db2.gz VXRFSNRDHYOZCR-GFCCVEGCSA-N 0 3 236.359 3.241 20 0 BGADHN Cc1cc(CN2CCC[C@H](C(C)(C)C)C2)no1 ZINC000361551537 387486859 /nfs/dbraw/zinc/48/68/59/387486859.db2.gz VXRFSNRDHYOZCR-LBPRGKRZSA-N 0 3 236.359 3.241 20 0 BGADHN Cc1nc(CN(CC2CC2)CC2CCC2)oc1C ZINC000361556982 397977286 /nfs/dbraw/zinc/97/72/86/397977286.db2.gz NBRXESNQLHTTSN-UHFFFAOYSA-N 0 3 248.370 3.304 20 0 BGADHN CCN(C)c1ccc(CN(C)CC(C)(C)C)cn1 ZINC000361562979 188071908 /nfs/dbraw/zinc/07/19/08/188071908.db2.gz DFZHDNYBAROSFQ-UHFFFAOYSA-N 0 3 249.402 3.016 20 0 BGADHN C[C@H]1CN(Cc2ccsc2Cl)C[C@H]1C ZINC000361563865 176308490 /nfs/dbraw/zinc/30/84/90/176308490.db2.gz LOWUKDMIQXWRKS-DTORHVGOSA-N 0 3 229.776 3.489 20 0 BGADHN C[C@H]1CN(Cc2ccsc2Cl)C[C@@H]1C ZINC000361563866 177268093 /nfs/dbraw/zinc/26/80/93/177268093.db2.gz LOWUKDMIQXWRKS-IUCAKERBSA-N 0 3 229.776 3.489 20 0 BGADHN C[C@@H]1CN(Cc2ccsc2Cl)C[C@H]1C ZINC000361563867 176308384 /nfs/dbraw/zinc/30/83/84/176308384.db2.gz LOWUKDMIQXWRKS-RKDXNWHRSA-N 0 3 229.776 3.489 20 0 BGADHN CCCCCN1Cc2ccc(O)cc2C2(CC2)C1 ZINC000361566241 384912995 /nfs/dbraw/zinc/91/29/95/384912995.db2.gz OBTMJNTZBNCMBN-UHFFFAOYSA-N 0 3 245.366 3.430 20 0 BGADHN CCCCN1Cc2ccc(O)cc2C2(CC2)C1 ZINC000361568212 387496247 /nfs/dbraw/zinc/49/62/47/387496247.db2.gz QUUJNNZIHUBMST-UHFFFAOYSA-N 0 3 231.339 3.040 20 0 BGADHN Oc1ccc2c(c1)C1(CC1)CN(CCC1CC1)C2 ZINC000361570786 183279809 /nfs/dbraw/zinc/27/98/09/183279809.db2.gz YDQFYSGVVOKGDV-UHFFFAOYSA-N 0 3 243.350 3.040 20 0 BGADHN CCN(CCC1CCCCC1)Cc1cnn(C)c1 ZINC000361571928 384939129 /nfs/dbraw/zinc/93/91/29/384939129.db2.gz PCGCGVVLIDXUKL-UHFFFAOYSA-N 0 3 249.402 3.212 20 0 BGADHN CCC1(CC)CCN(Cc2cccc(OC)n2)C1 ZINC000361572406 387498531 /nfs/dbraw/zinc/49/85/31/387498531.db2.gz SMNXGDXROYSQGS-UHFFFAOYSA-N 0 3 248.370 3.102 20 0 BGADHN CCN(C(=O)C(C)C(F)(F)F)c1ccccc1 ZINC000361573207 387499068 /nfs/dbraw/zinc/49/90/68/387499068.db2.gz JQBCPICMZHZTQX-SECBINFHSA-N 0 3 245.244 3.238 20 0 BGADHN CCN(C(=O)C(C)C(F)(F)F)c1ccccc1 ZINC000361573208 387500017 /nfs/dbraw/zinc/50/00/17/387500017.db2.gz JQBCPICMZHZTQX-VIFPVBQESA-N 0 3 245.244 3.238 20 0 BGADHN CC[C@@H](C)N1Cc2ccc(O)cc2C2(CC2)C1 ZINC000361573821 387500150 /nfs/dbraw/zinc/50/01/50/387500150.db2.gz OPSGBDIGHOWBQX-LLVKDONJSA-N 0 3 231.339 3.038 20 0 BGADHN CC[C@H](C)N1Cc2ccc(O)cc2C2(CC2)C1 ZINC000361573822 171320219 /nfs/dbraw/zinc/32/02/19/171320219.db2.gz OPSGBDIGHOWBQX-NSHDSACASA-N 0 3 231.339 3.038 20 0 BGADHN COC1(CN2Cc3ccccc3C2)CCCCC1 ZINC000361579684 387502033 /nfs/dbraw/zinc/50/20/33/387502033.db2.gz UBCNKFFIBOFPAS-UHFFFAOYSA-N 0 3 245.366 3.352 20 0 BGADHN Cc1ccc2nc(CN[C@H](C)C(C)C)[nH]c2c1 ZINC000361581335 387501150 /nfs/dbraw/zinc/50/11/50/387501150.db2.gz GLGYPHNPHZSSMC-LLVKDONJSA-N 0 3 231.343 3.005 20 0 BGADHN Cc1ccc2[nH]c(CN[C@H](C)C(C)C)nc2c1 ZINC000361581335 387501146 /nfs/dbraw/zinc/50/11/46/387501146.db2.gz GLGYPHNPHZSSMC-LLVKDONJSA-N 0 3 231.343 3.005 20 0 BGADHN Cc1ccc2nc(CN[C@@H](C)C(C)C)[nH]c2c1 ZINC000361581338 387502410 /nfs/dbraw/zinc/50/24/10/387502410.db2.gz GLGYPHNPHZSSMC-NSHDSACASA-N 0 3 231.343 3.005 20 0 BGADHN Cc1ccc2[nH]c(CN[C@@H](C)C(C)C)nc2c1 ZINC000361581338 387502407 /nfs/dbraw/zinc/50/24/07/387502407.db2.gz GLGYPHNPHZSSMC-NSHDSACASA-N 0 3 231.343 3.005 20 0 BGADHN CC(C)n1ccc(CN(CC2CC2)C2CCC2)n1 ZINC000361581679 387502497 /nfs/dbraw/zinc/50/24/97/387502497.db2.gz HNBLDTMHEORXDR-UHFFFAOYSA-N 0 3 247.386 3.229 20 0 BGADHN Cc1ccc2c(c1)CN(CC1CCC1)C2 ZINC000361583423 387500544 /nfs/dbraw/zinc/50/05/44/387500544.db2.gz CGILTZHRCPIGFU-UHFFFAOYSA-N 0 3 201.313 3.111 20 0 BGADHN CCc1noc(C)c1CN(CC1CC1)C1CCC1 ZINC000361586016 172075407 /nfs/dbraw/zinc/07/54/07/172075407.db2.gz KOJWANAIKBMJJL-UHFFFAOYSA-N 0 3 248.370 3.310 20 0 BGADHN Cc1cnc(CN(CC2CC2)C2CCC2)s1 ZINC000361586607 387500916 /nfs/dbraw/zinc/50/09/16/387500916.db2.gz SVTPMHMRCKVIOJ-UHFFFAOYSA-N 0 3 236.384 3.216 20 0 BGADHN Cc1ccc2c(c1)CN(CCCOC(C)C)C2 ZINC000361587425 384987909 /nfs/dbraw/zinc/98/79/09/384987909.db2.gz PAGYZSKYPFTZBG-UHFFFAOYSA-N 0 3 233.355 3.126 20 0 BGADHN Cc1ccc2c(c1)CN(CCC1CC1)C2 ZINC000361592112 387505228 /nfs/dbraw/zinc/50/52/28/387505228.db2.gz AMLIIUDQYLCLEU-UHFFFAOYSA-N 0 3 201.313 3.111 20 0 BGADHN Fc1ccc(CNCCC2CCCCC2)nc1 ZINC000361592697 387505346 /nfs/dbraw/zinc/50/53/46/387505346.db2.gz DUYMDOKCSUSRNC-UHFFFAOYSA-N 0 3 236.334 3.281 20 0 BGADHN CSCCN(C)CCc1ccccc1Cl ZINC000361594309 387507464 /nfs/dbraw/zinc/50/74/64/387507464.db2.gz MXGVHZYIUMSCQV-UHFFFAOYSA-N 0 3 243.803 3.177 20 0 BGADHN CSCCCN1Cc2ccc(C)cc2C1 ZINC000361595241 387506844 /nfs/dbraw/zinc/50/68/44/387506844.db2.gz UJZMGPZOGUBREA-UHFFFAOYSA-N 0 3 221.369 3.064 20 0 BGADHN Cc1ccc2c(c1)CN(CC[C@@H]1CCCCO1)C2 ZINC000361602292 387508337 /nfs/dbraw/zinc/50/83/37/387508337.db2.gz MMSPZBBGUIKXNI-INIZCTEOSA-N 0 3 245.366 3.270 20 0 BGADHN Cc1ccc2c(c1)CN(CC[C@H]1CCCCO1)C2 ZINC000361602294 188072100 /nfs/dbraw/zinc/07/21/00/188072100.db2.gz MMSPZBBGUIKXNI-MRXNPFEDSA-N 0 3 245.366 3.270 20 0 BGADHN COC(C)(C)CCN1Cc2ccc(C)cc2C1 ZINC000361604420 387509549 /nfs/dbraw/zinc/50/95/49/387509549.db2.gz TUVYUWLYJAMIKR-UHFFFAOYSA-N 0 3 233.355 3.126 20 0 BGADHN COCCCCCN1Cc2ccc(C)cc2C1 ZINC000361605322 174179198 /nfs/dbraw/zinc/17/91/98/174179198.db2.gz WOGHCBGXRYRXLB-UHFFFAOYSA-N 0 3 233.355 3.127 20 0 BGADHN COc1cccc(CN2CCCCC(C)(C)C2)n1 ZINC000361608548 175256693 /nfs/dbraw/zinc/25/66/93/175256693.db2.gz GLKFUNDTEPERKL-UHFFFAOYSA-N 0 3 248.370 3.102 20 0 BGADHN CC[C@H]1CN(CCCC2CCCC2)CCO1 ZINC000361619266 387510795 /nfs/dbraw/zinc/51/07/95/387510795.db2.gz MIQOTXZOJQZIED-AWEZNQCLSA-N 0 3 225.376 3.068 20 0 BGADHN CC[C@@H]1CN(CCCC2CCCC2)CCO1 ZINC000361619267 171077857 /nfs/dbraw/zinc/07/78/57/171077857.db2.gz MIQOTXZOJQZIED-CQSZACIVSA-N 0 3 225.376 3.068 20 0 BGADHN Cc1ccc(CN2CCC(C)=C(C)C2)c(C)n1 ZINC000361619846 168085364 /nfs/dbraw/zinc/08/53/64/168085364.db2.gz OPUSDTCEBKOAEJ-UHFFFAOYSA-N 0 3 230.355 3.241 20 0 BGADHN CC[C@H]1COCCN1CCCC1CCCC1 ZINC000361622221 387511248 /nfs/dbraw/zinc/51/12/48/387511248.db2.gz YSSCURBQAYJXPW-AWEZNQCLSA-N 0 3 225.376 3.068 20 0 BGADHN CC[C@@H]1COCCN1CCCC1CCCC1 ZINC000361622222 171106478 /nfs/dbraw/zinc/10/64/78/171106478.db2.gz YSSCURBQAYJXPW-CQSZACIVSA-N 0 3 225.376 3.068 20 0 BGADHN C(CC1CCCC1)CN1CCO[C@H]2CCC[C@H]21 ZINC000361625836 387514051 /nfs/dbraw/zinc/51/40/51/387514051.db2.gz AWBZMSXTCYUWQO-CABCVRRESA-N 0 3 237.387 3.210 20 0 BGADHN C(CC1CCCC1)CN1CCO[C@H]2CCC[C@@H]21 ZINC000361625838 387513604 /nfs/dbraw/zinc/51/36/04/387513604.db2.gz AWBZMSXTCYUWQO-GJZGRUSLSA-N 0 3 237.387 3.210 20 0 BGADHN C(CC1CCCC1)CN1CCO[C@@H]2CCC[C@H]21 ZINC000361625840 188244185 /nfs/dbraw/zinc/24/41/85/188244185.db2.gz AWBZMSXTCYUWQO-HUUCEWRRSA-N 0 3 237.387 3.210 20 0 BGADHN C(CC1CCCC1)CN1CCO[C@@H]2CCC[C@@H]21 ZINC000361625842 387512781 /nfs/dbraw/zinc/51/27/81/387512781.db2.gz AWBZMSXTCYUWQO-LSDHHAIUSA-N 0 3 237.387 3.210 20 0 BGADHN CCc1ccc(CN(C)CCCF)cc1 ZINC000361639307 387515205 /nfs/dbraw/zinc/51/52/05/387515205.db2.gz OGORNVKMXNHTGF-UHFFFAOYSA-N 0 3 209.308 3.040 20 0 BGADHN Cc1ccccc1[C@H](C)N1CCN(C(C)C)CC1 ZINC000361641514 179336478 /nfs/dbraw/zinc/33/64/78/179336478.db2.gz ZSSVRTVBURZPNP-HNNXBMFYSA-N 0 3 246.398 3.082 20 0 BGADHN Cc1ccccc1[C@@H](C)N1CCN(C(C)C)CC1 ZINC000361641515 179317419 /nfs/dbraw/zinc/31/74/19/179317419.db2.gz ZSSVRTVBURZPNP-OAHLLOKOSA-N 0 3 246.398 3.082 20 0 BGADHN CCCC1CCC(N(C)Cc2ccn(C)n2)CC1 ZINC000361641959 387516427 /nfs/dbraw/zinc/51/64/27/387516427.db2.gz FNWAUFAQIQRZND-UHFFFAOYSA-N 0 3 249.402 3.211 20 0 BGADHN C[C@@H]1CN(CCCC2CCCC2)[C@H](C)CO1 ZINC000361645485 176288015 /nfs/dbraw/zinc/28/80/15/176288015.db2.gz DGYGTMYAINYQKC-CHWSQXEVSA-N 0 3 225.376 3.066 20 0 BGADHN C[C@@H]1CO[C@@H](C)CN1CCCC1CCCC1 ZINC000361645486 177247390 /nfs/dbraw/zinc/24/73/90/177247390.db2.gz DGYGTMYAINYQKC-OLZOCXBDSA-N 0 3 225.376 3.066 20 0 BGADHN C[C@@H]1CN(CCCC2CCCC2)[C@@H](C)CO1 ZINC000361645487 177302141 /nfs/dbraw/zinc/30/21/41/177302141.db2.gz DGYGTMYAINYQKC-QWHCGFSZSA-N 0 3 225.376 3.066 20 0 BGADHN C[C@H]1CN(CCCC2CCCC2)[C@@H](C)CO1 ZINC000361645488 177248318 /nfs/dbraw/zinc/24/83/18/177248318.db2.gz DGYGTMYAINYQKC-STQMWFEESA-N 0 3 225.376 3.066 20 0 BGADHN C[C@H]1OCCN(CCCC2CCCC2)[C@@H]1C ZINC000361689842 177398111 /nfs/dbraw/zinc/39/81/11/177398111.db2.gz SAXBHHRIGACTTR-CHWSQXEVSA-N 0 3 225.376 3.066 20 0 BGADHN C[C@@H]1[C@H](C)OCCN1CCCC1CCCC1 ZINC000361689843 387523293 /nfs/dbraw/zinc/52/32/93/387523293.db2.gz SAXBHHRIGACTTR-OLZOCXBDSA-N 0 3 225.376 3.066 20 0 BGADHN C[C@H]1OCCN(CCCC2CCCC2)[C@H]1C ZINC000361689844 387523126 /nfs/dbraw/zinc/52/31/26/387523126.db2.gz SAXBHHRIGACTTR-QWHCGFSZSA-N 0 3 225.376 3.066 20 0 BGADHN C[C@@H]1OCCN(CCCC2CCCC2)[C@H]1C ZINC000361689845 387522386 /nfs/dbraw/zinc/52/23/86/387522386.db2.gz SAXBHHRIGACTTR-STQMWFEESA-N 0 3 225.376 3.066 20 0 BGADHN CC(C)CCOCCN1CCC(C(F)F)CC1 ZINC000361698897 387522668 /nfs/dbraw/zinc/52/26/68/387522668.db2.gz LUIJARCZZUDTAH-UHFFFAOYSA-N 0 3 249.345 3.026 20 0 BGADHN CC(C)CCN(Cc1ncccn1)C1CCCC1 ZINC000361705462 387524791 /nfs/dbraw/zinc/52/47/91/387524791.db2.gz LGIKJBPMOWTQKQ-UHFFFAOYSA-N 0 3 247.386 3.267 20 0 BGADHN COc1ccc(Cl)c(CN2CC[C@H](C)C2)c1 ZINC000361707623 188244540 /nfs/dbraw/zinc/24/45/40/188244540.db2.gz WNBJCXZPFMLEBV-JTQLQIEISA-N 0 3 239.746 3.190 20 0 BGADHN COc1ccc(Cl)c(CN2CC[C@@H](C)C2)c1 ZINC000361707629 187217803 /nfs/dbraw/zinc/21/78/03/187217803.db2.gz WNBJCXZPFMLEBV-SNVBAGLBSA-N 0 3 239.746 3.190 20 0 BGADHN CCSCCN1CCc2cc(C)ccc2C1 ZINC000361738095 387528856 /nfs/dbraw/zinc/52/88/56/387528856.db2.gz SYEULDJDBXLLOY-UHFFFAOYSA-N 0 3 235.396 3.106 20 0 BGADHN Cc1ncc(CNCCC2=CCCCCC2)cn1 ZINC000361745139 187383568 /nfs/dbraw/zinc/38/35/68/187383568.db2.gz SPHABDDUDQDZKI-UHFFFAOYSA-N 0 3 245.370 3.155 20 0 BGADHN C[C@@H]1CC[C@H](NCc2ccc(F)cn2)C[C@@H]1C ZINC000361758448 177332358 /nfs/dbraw/zinc/33/23/58/177332358.db2.gz YWCPGEMMHBKLQF-MDZLAQPJSA-N 0 3 236.334 3.135 20 0 BGADHN C[C@@H]1CC[C@@H](NCc2ccc(F)cn2)C[C@H]1C ZINC000361758449 176212872 /nfs/dbraw/zinc/21/28/72/176212872.db2.gz YWCPGEMMHBKLQF-NQBHXWOUSA-N 0 3 236.334 3.135 20 0 BGADHN C[C@@H]1CC[C@@H](NCc2ccc(F)cn2)C[C@@H]1C ZINC000361758450 177370033 /nfs/dbraw/zinc/37/00/33/177370033.db2.gz YWCPGEMMHBKLQF-NTZNESFSSA-N 0 3 236.334 3.135 20 0 BGADHN C[C@@H]1CC[C@H](NCc2ccc(F)cn2)C[C@H]1C ZINC000361758451 176233623 /nfs/dbraw/zinc/23/36/23/176233623.db2.gz YWCPGEMMHBKLQF-WZRBSPASSA-N 0 3 236.334 3.135 20 0 BGADHN CCCN1CCC(C(=O)c2cccs2)CC1 ZINC000361765444 169187346 /nfs/dbraw/zinc/18/73/46/169187346.db2.gz DROFPFBRDUYWRF-UHFFFAOYSA-N 0 3 237.368 3.053 20 0 BGADHN CC[C@H](C[C@H](C)CO)N[C@H](C)c1ccc(C)o1 ZINC000361803007 387538964 /nfs/dbraw/zinc/53/89/64/387538964.db2.gz CSKZCGDDGMQDHM-CYZMBNFOSA-N 0 3 239.359 3.036 20 0 BGADHN CC[C@H](C[C@@H](C)CO)N[C@@H](C)c1ccc(C)o1 ZINC000361803008 387538759 /nfs/dbraw/zinc/53/87/59/387538759.db2.gz CSKZCGDDGMQDHM-KGYLQXTDSA-N 0 3 239.359 3.036 20 0 BGADHN CC[C@H](C[C@@H](C)CO)N[C@H](C)c1ccc(C)o1 ZINC000361803009 387538575 /nfs/dbraw/zinc/53/85/75/387538575.db2.gz CSKZCGDDGMQDHM-RAIGVLPGSA-N 0 3 239.359 3.036 20 0 BGADHN CC[C@H](C[C@H](C)CO)N[C@@H](C)c1ccc(C)o1 ZINC000361803010 387538277 /nfs/dbraw/zinc/53/82/77/387538277.db2.gz CSKZCGDDGMQDHM-WCFLWFBJSA-N 0 3 239.359 3.036 20 0 BGADHN Cc1ccc2nc(CN[C@H](C)C3(C)CC3)[nH]c2c1 ZINC000361812558 387537908 /nfs/dbraw/zinc/53/79/08/387537908.db2.gz MQIQQOYQEFKUGV-LLVKDONJSA-N 0 3 243.354 3.150 20 0 BGADHN Cc1ccc2[nH]c(CN[C@H](C)C3(C)CC3)nc2c1 ZINC000361812558 387537903 /nfs/dbraw/zinc/53/79/03/387537903.db2.gz MQIQQOYQEFKUGV-LLVKDONJSA-N 0 3 243.354 3.150 20 0 BGADHN Cc1ccc2nc(CN[C@@H](C)C3(C)CC3)[nH]c2c1 ZINC000361812561 387537963 /nfs/dbraw/zinc/53/79/63/387537963.db2.gz MQIQQOYQEFKUGV-NSHDSACASA-N 0 3 243.354 3.150 20 0 BGADHN Cc1ccc2[nH]c(CN[C@@H](C)C3(C)CC3)nc2c1 ZINC000361812561 387537957 /nfs/dbraw/zinc/53/79/57/387537957.db2.gz MQIQQOYQEFKUGV-NSHDSACASA-N 0 3 243.354 3.150 20 0 BGADHN CC[C@@H](NCc1nc2cc(C)ccc2[nH]1)C1CC1 ZINC000361815897 356937201 /nfs/dbraw/zinc/93/72/01/356937201.db2.gz VXRRETUZSWPHKG-GFCCVEGCSA-N 0 3 243.354 3.150 20 0 BGADHN CC[C@H](NCc1nc2cc(C)ccc2[nH]1)C1CC1 ZINC000361815898 387537064 /nfs/dbraw/zinc/53/70/64/387537064.db2.gz VXRRETUZSWPHKG-LBPRGKRZSA-N 0 3 243.354 3.150 20 0 BGADHN CSCCCN1CCc2cc(C)ccc2C1 ZINC000361844225 387542054 /nfs/dbraw/zinc/54/20/54/387542054.db2.gz UPNYUQADEBHUJH-UHFFFAOYSA-N 0 3 235.396 3.106 20 0 BGADHN Cc1ccc2c(c1)CCN(CCOC(C)(C)C)C2 ZINC000361845155 387542407 /nfs/dbraw/zinc/54/24/07/387542407.db2.gz YXQWDKCYGANHKQ-UHFFFAOYSA-N 0 3 247.382 3.168 20 0 BGADHN Cc1ccc2c(c1)CCN(CCCOC(C)C)C2 ZINC000361847115 387545654 /nfs/dbraw/zinc/54/56/54/387545654.db2.gz BAIFWINHRKYJPF-UHFFFAOYSA-N 0 3 247.382 3.168 20 0 BGADHN COCCCCCN1CCc2cc(C)ccc2C1 ZINC000361850592 174179680 /nfs/dbraw/zinc/17/96/80/174179680.db2.gz ROCPQYVQNUCSBV-UHFFFAOYSA-N 0 3 247.382 3.170 20 0 BGADHN CCC[C@H](NCc1ncccn1)C1CCCCC1 ZINC000361865046 387547632 /nfs/dbraw/zinc/54/76/32/387547632.db2.gz IZOONNOAZFJLQD-AWEZNQCLSA-N 0 3 247.386 3.315 20 0 BGADHN CCC[C@@H](NCc1ncccn1)C1CCCCC1 ZINC000361865047 387547623 /nfs/dbraw/zinc/54/76/23/387547623.db2.gz IZOONNOAZFJLQD-CQSZACIVSA-N 0 3 247.386 3.315 20 0 BGADHN CCCCCN(C)Cc1cccc(C)n1 ZINC000361865406 387547457 /nfs/dbraw/zinc/54/74/57/387547457.db2.gz MWDIYHJOLNOEOX-UHFFFAOYSA-N 0 3 206.333 3.012 20 0 BGADHN C[C@H](Cc1ccoc1)N[C@H](C)c1cncc(F)c1 ZINC000361922070 387551767 /nfs/dbraw/zinc/55/17/67/387551767.db2.gz FXHIIROHJJOOOL-GHMZBOCLSA-N 0 3 248.301 3.096 20 0 BGADHN C[C@H](Cc1ccoc1)N[C@@H](C)c1cncc(F)c1 ZINC000361922071 387551876 /nfs/dbraw/zinc/55/18/76/387551876.db2.gz FXHIIROHJJOOOL-MNOVXSKESA-N 0 3 248.301 3.096 20 0 BGADHN C[C@@H](Cc1ccoc1)N[C@@H](C)c1cncc(F)c1 ZINC000361922072 387552288 /nfs/dbraw/zinc/55/22/88/387552288.db2.gz FXHIIROHJJOOOL-QWRGUYRKSA-N 0 3 248.301 3.096 20 0 BGADHN C[C@@H](N[C@@H](C)Cc1ccoc1)c1cncc(F)c1 ZINC000361922073 387552493 /nfs/dbraw/zinc/55/24/93/387552493.db2.gz FXHIIROHJJOOOL-WDEREUQCSA-N 0 3 248.301 3.096 20 0 BGADHN Cc1ccc([C@@H](C)N[C@@H](C)Cc2ccoc2)o1 ZINC000361925451 178844538 /nfs/dbraw/zinc/84/45/38/178844538.db2.gz OTENXGSWBZSIGR-CMPLNLGQSA-N 0 3 233.311 3.463 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H](C)Cc2ccoc2)o1 ZINC000361925460 387552227 /nfs/dbraw/zinc/55/22/27/387552227.db2.gz OTENXGSWBZSIGR-JQWIXIFHSA-N 0 3 233.311 3.463 20 0 BGADHN Cc1ccc([C@H](C)N[C@H](C)Cc2ccoc2)o1 ZINC000361925462 387551528 /nfs/dbraw/zinc/55/15/28/387551528.db2.gz OTENXGSWBZSIGR-PWSUYJOCSA-N 0 3 233.311 3.463 20 0 BGADHN Cc1ccc([C@@H](C)N[C@H](C)Cc2ccoc2)o1 ZINC000361925463 387551820 /nfs/dbraw/zinc/55/18/20/387551820.db2.gz OTENXGSWBZSIGR-ZYHUDNBSSA-N 0 3 233.311 3.463 20 0 BGADHN Cc1cc(C=C2CCN(C3CCCC3)CC2)no1 ZINC000361947799 387553591 /nfs/dbraw/zinc/55/35/91/387553591.db2.gz ZIKPQZJWUUTKND-UHFFFAOYSA-N 0 3 246.354 3.405 20 0 BGADHN C[C@H](N[C@@H]1C[C@H]1C1CCCCC1)c1nccn1C ZINC000362005646 387561079 /nfs/dbraw/zinc/56/10/79/387561079.db2.gz VNPOBHRQOIVEBP-FPMFFAJLSA-N 0 3 247.386 3.040 20 0 BGADHN C[C@H](N[C@@H]1C[C@@H]1C1CCCCC1)c1nccn1C ZINC000362005647 176906199 /nfs/dbraw/zinc/90/61/99/176906199.db2.gz VNPOBHRQOIVEBP-IACUBPJLSA-N 0 3 247.386 3.040 20 0 BGADHN C[C@H](N[C@H]1C[C@H]1C1CCCCC1)c1nccn1C ZINC000362005648 387561511 /nfs/dbraw/zinc/56/15/11/387561511.db2.gz VNPOBHRQOIVEBP-UBHSHLNASA-N 0 3 247.386 3.040 20 0 BGADHN C[C@H](N[C@H]1C[C@@H]1C1CCCCC1)c1nccn1C ZINC000362005649 387561485 /nfs/dbraw/zinc/56/14/85/387561485.db2.gz VNPOBHRQOIVEBP-YUTCNCBUSA-N 0 3 247.386 3.040 20 0 BGADHN CCCCN1CC=C(c2cncc(F)c2)CC1 ZINC000362086048 387571979 /nfs/dbraw/zinc/57/19/79/387571979.db2.gz JRCIKGWHXKGGKZ-UHFFFAOYSA-N 0 3 234.318 3.110 20 0 BGADHN CCCCOCCN1CC[C@H]1c1ccccc1 ZINC000362178250 387582309 /nfs/dbraw/zinc/58/23/09/387582309.db2.gz BSROJJMOEVKGMJ-HNNXBMFYSA-N 0 3 233.355 3.250 20 0 BGADHN CCCCOCCN1CC[C@@H]1c1ccccc1 ZINC000362178252 385440094 /nfs/dbraw/zinc/44/00/94/385440094.db2.gz BSROJJMOEVKGMJ-OAHLLOKOSA-N 0 3 233.355 3.250 20 0 BGADHN CC(C)N[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000362241215 167135340 /nfs/dbraw/zinc/13/53/40/167135340.db2.gz XETIPMKLUHCIBY-HNNXBMFYSA-N 0 3 244.313 3.308 20 0 BGADHN CC(C)N[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000362241217 167139791 /nfs/dbraw/zinc/13/97/91/167139791.db2.gz XETIPMKLUHCIBY-OAHLLOKOSA-N 0 3 244.313 3.308 20 0 BGADHN CC[C@@H](NCC12CCC(CC1)C2)c1nccn1C ZINC000362252070 387589166 /nfs/dbraw/zinc/58/91/66/387589166.db2.gz AWPUGFQRFMAPQL-JVWICGRDSA-N 0 3 247.386 3.041 20 0 BGADHN CC[C@H](NCC12CCC(CC1)C2)c1nccn1C ZINC000362252071 387589005 /nfs/dbraw/zinc/58/90/05/387589005.db2.gz AWPUGFQRFMAPQL-OWYJLGKBSA-N 0 3 247.386 3.041 20 0 BGADHN C[C@H](N[C@H]1C[C@H]1C1CCCCC1)c1cnn(C)c1 ZINC000362302839 387595297 /nfs/dbraw/zinc/59/52/97/387595297.db2.gz FQFCKTZAIRNFJU-CQDKDKBSSA-N 0 3 247.386 3.040 20 0 BGADHN C[C@H](N[C@@H]1C[C@H]1C1CCCCC1)c1cnn(C)c1 ZINC000362302840 387595025 /nfs/dbraw/zinc/59/50/25/387595025.db2.gz FQFCKTZAIRNFJU-TUKIKUTGSA-N 0 3 247.386 3.040 20 0 BGADHN CSCCN(C)CCc1cccc(Cl)c1 ZINC000362303768 387594044 /nfs/dbraw/zinc/59/40/44/387594044.db2.gz BGKATGPITDQHGB-UHFFFAOYSA-N 0 3 243.803 3.177 20 0 BGADHN c1cc(CN2CC3(C2)CCCC3)cs1 ZINC000362308093 183339466 /nfs/dbraw/zinc/33/94/66/183339466.db2.gz FHLVXVJVIJSLSV-UHFFFAOYSA-N 0 3 207.342 3.124 20 0 BGADHN C[C@@H](NCC12CCC(CC1)C2)c1nccs1 ZINC000362309699 388562088 /nfs/dbraw/zinc/56/20/88/388562088.db2.gz MVVPOCGRGBCXDP-XSRFYTQQSA-N 0 3 236.384 3.374 20 0 BGADHN C[C@H](NCC12CCC(CC1)C2)c1nccs1 ZINC000362309700 388562279 /nfs/dbraw/zinc/56/22/79/388562279.db2.gz MVVPOCGRGBCXDP-ZBOXLXRLSA-N 0 3 236.384 3.374 20 0 BGADHN Cc1ccccc1CN1CC2(C1)CCCC2 ZINC000362312579 179271232 /nfs/dbraw/zinc/27/12/32/179271232.db2.gz LGXJYXIOFRBBQH-UHFFFAOYSA-N 0 3 215.340 3.371 20 0 BGADHN COc1ccccc1CN1CC2(C1)CCCC2 ZINC000362313383 175325489 /nfs/dbraw/zinc/32/54/89/175325489.db2.gz SXTZGWPAYIVUMO-UHFFFAOYSA-N 0 3 231.339 3.071 20 0 BGADHN CCOc1cccc(CN2CC3(C2)CCCC3)c1 ZINC000362313903 387594791 /nfs/dbraw/zinc/59/47/91/387594791.db2.gz YCGGPTFCLROPLA-UHFFFAOYSA-N 0 3 245.366 3.461 20 0 BGADHN COc1cccc(CN2CC3(C2)CCCC3)c1 ZINC000362322319 175257284 /nfs/dbraw/zinc/25/72/84/175257284.db2.gz MSPKTBZXQQTNBZ-UHFFFAOYSA-N 0 3 231.339 3.071 20 0 BGADHN c1csc(CN2CC3(C2)CCCC3)c1 ZINC000362324893 387596098 /nfs/dbraw/zinc/59/60/98/387596098.db2.gz QKNRZVSUBDSPMI-UHFFFAOYSA-N 0 3 207.342 3.124 20 0 BGADHN COc1ccc(CN2CC3(C2)CCCC3)cc1 ZINC000362325354 175098497 /nfs/dbraw/zinc/09/84/97/175098497.db2.gz RXPPRGHHOBXMTK-UHFFFAOYSA-N 0 3 231.339 3.071 20 0 BGADHN Cc1ccc(CN2CC3(C2)CCCC3)s1 ZINC000362326256 387596158 /nfs/dbraw/zinc/59/61/58/387596158.db2.gz WJUXOGGRRDBHPL-UHFFFAOYSA-N 0 3 221.369 3.433 20 0 BGADHN CC[C@@H](C)CNCc1ncoc1-c1ccccc1 ZINC000362337444 170707955 /nfs/dbraw/zinc/70/79/55/170707955.db2.gz WGXYRLIVDXJDPK-GFCCVEGCSA-N 0 3 244.338 3.477 20 0 BGADHN CC[C@H](C)CNCc1ncoc1-c1ccccc1 ZINC000362337545 171285702 /nfs/dbraw/zinc/28/57/02/171285702.db2.gz WGXYRLIVDXJDPK-LBPRGKRZSA-N 0 3 244.338 3.477 20 0 BGADHN Cc1cccc(CN(C)CCc2cccs2)n1 ZINC000362383398 179065562 /nfs/dbraw/zinc/06/55/62/179065562.db2.gz LWRCSYRCDWGHTI-UHFFFAOYSA-N 0 3 246.379 3.126 20 0 BGADHN CC[C@@]1(C)CCCN(Cc2cccc(C)n2)C1 ZINC000362384936 171198739 /nfs/dbraw/zinc/19/87/39/171198739.db2.gz OMORSMMSAHLJQW-HNNXBMFYSA-N 0 3 232.371 3.402 20 0 BGADHN CC[C@]1(C)CCCN(Cc2cccc(C)n2)C1 ZINC000362384937 387605347 /nfs/dbraw/zinc/60/53/47/387605347.db2.gz OMORSMMSAHLJQW-OAHLLOKOSA-N 0 3 232.371 3.402 20 0 BGADHN CC[C@@]1(C)CCCN(Cc2cccc(OC)n2)C1 ZINC000362385110 171198857 /nfs/dbraw/zinc/19/88/57/171198857.db2.gz SCSKYYVZXATMAU-HNNXBMFYSA-N 0 3 248.370 3.102 20 0 BGADHN CC[C@]1(C)CCCN(Cc2cccc(OC)n2)C1 ZINC000362385111 387605492 /nfs/dbraw/zinc/60/54/92/387605492.db2.gz SCSKYYVZXATMAU-OAHLLOKOSA-N 0 3 248.370 3.102 20 0 BGADHN CC(C)(C)CN1CCC(c2nccs2)CC1 ZINC000362389013 387606800 /nfs/dbraw/zinc/60/68/00/387606800.db2.gz KJJSIWIXZGJSBK-UHFFFAOYSA-N 0 3 238.400 3.369 20 0 BGADHN CC[C@@]1(C)CCCN(Cc2cc(OC)ccn2)C1 ZINC000362392170 171199574 /nfs/dbraw/zinc/19/95/74/171199574.db2.gz YRMXTEOSCWKRIY-HNNXBMFYSA-N 0 3 248.370 3.102 20 0 BGADHN CC[C@]1(C)CCCN(Cc2cc(OC)ccn2)C1 ZINC000362392171 171713656 /nfs/dbraw/zinc/71/36/56/171713656.db2.gz YRMXTEOSCWKRIY-OAHLLOKOSA-N 0 3 248.370 3.102 20 0 BGADHN CN(C)CCSC(C)(C)c1ccccc1 ZINC000362405171 387607403 /nfs/dbraw/zinc/60/74/03/387607403.db2.gz WVASEZASFLEHAO-UHFFFAOYSA-N 0 3 223.385 3.217 20 0 BGADHN C[C@@H]1CCN(CC2(C)COC2)[C@@H](c2ccco2)C1 ZINC000362450276 176168913 /nfs/dbraw/zinc/16/89/13/176168913.db2.gz JJAKYZLVDGTLFQ-CHWSQXEVSA-N 0 3 249.354 3.089 20 0 BGADHN C[C@@H]1CCN(CC2(C)COC2)[C@H](c2ccco2)C1 ZINC000362450278 176168648 /nfs/dbraw/zinc/16/86/48/176168648.db2.gz JJAKYZLVDGTLFQ-OLZOCXBDSA-N 0 3 249.354 3.089 20 0 BGADHN C[C@H]1CCN(CC2(C)COC2)[C@@H](c2ccco2)C1 ZINC000362450279 177158629 /nfs/dbraw/zinc/15/86/29/177158629.db2.gz JJAKYZLVDGTLFQ-QWHCGFSZSA-N 0 3 249.354 3.089 20 0 BGADHN C[C@H]1CCN(CC2(C)COC2)[C@H](c2ccco2)C1 ZINC000362450280 177158254 /nfs/dbraw/zinc/15/82/54/177158254.db2.gz JJAKYZLVDGTLFQ-STQMWFEESA-N 0 3 249.354 3.089 20 0 BGADHN CC(C)CN(C)Cc1nc2cc(F)ccc2o1 ZINC000362463042 356945217 /nfs/dbraw/zinc/94/52/17/356945217.db2.gz DKKWXATVIOPFSK-UHFFFAOYSA-N 0 3 236.290 3.055 20 0 BGADHN CC[C@@H]1CCCN1Cc1nc2cc(F)ccc2o1 ZINC000362467094 356945786 /nfs/dbraw/zinc/94/57/86/356945786.db2.gz HYXGCOSGJCMDGK-LLVKDONJSA-N 0 3 248.301 3.341 20 0 BGADHN CC[C@H]1CCCN1Cc1nc2cc(F)ccc2o1 ZINC000362467095 387615892 /nfs/dbraw/zinc/61/58/92/387615892.db2.gz HYXGCOSGJCMDGK-NSHDSACASA-N 0 3 248.301 3.341 20 0 BGADHN CCCN(CC)Cc1nc2cc(F)ccc2o1 ZINC000362467574 169132033 /nfs/dbraw/zinc/13/20/33/169132033.db2.gz LBIXSACIDIFJPH-UHFFFAOYSA-N 0 3 236.290 3.199 20 0 BGADHN C[C@H]1CN(Cc2nc3cc(F)ccc3o2)C[C@H]1C ZINC000362479226 176312028 /nfs/dbraw/zinc/31/20/28/176312028.db2.gz JZDCAPYAAHRMER-AOOOYVTPSA-N 0 3 248.301 3.055 20 0 BGADHN C[C@@H]1CN(Cc2nc3cc(F)ccc3o2)C[C@H]1C ZINC000362479228 176312245 /nfs/dbraw/zinc/31/22/45/176312245.db2.gz JZDCAPYAAHRMER-NXEZZACHSA-N 0 3 248.301 3.055 20 0 BGADHN C[C@H]1CN(Cc2nc3cc(F)ccc3o2)C[C@@H]1C ZINC000362479231 177271204 /nfs/dbraw/zinc/27/12/04/177271204.db2.gz JZDCAPYAAHRMER-UWVGGRQHSA-N 0 3 248.301 3.055 20 0 BGADHN CCN1CCC(=Cc2ccccc2F)CC1 ZINC000362481336 169950987 /nfs/dbraw/zinc/95/09/87/169950987.db2.gz FCXURTSGGNERSD-UHFFFAOYSA-N 0 3 219.303 3.325 20 0 BGADHN C[C@@H]1CCC[C@@H](CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000362485029 176117194 /nfs/dbraw/zinc/11/71/94/176117194.db2.gz NAOVOFBRSSMSDQ-BARDWOONSA-N 0 3 237.387 3.066 20 0 BGADHN C[C@H]1CCC[C@H](CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000362485030 177132118 /nfs/dbraw/zinc/13/21/18/177132118.db2.gz NAOVOFBRSSMSDQ-LJISPDSOSA-N 0 3 237.387 3.066 20 0 BGADHN C[C@@H]1CCC[C@H](CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000362485031 176136688 /nfs/dbraw/zinc/13/66/88/176136688.db2.gz NAOVOFBRSSMSDQ-TUVASFSCSA-N 0 3 237.387 3.066 20 0 BGADHN C[C@H]1CCC[C@@H](CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000362485036 177118808 /nfs/dbraw/zinc/11/88/08/177118808.db2.gz NAOVOFBRSSMSDQ-ZQDZILKHSA-N 0 3 237.387 3.066 20 0 BGADHN CCN(Cc1nc2cc(F)ccc2o1)C1CCC1 ZINC000362488265 346862768 /nfs/dbraw/zinc/86/27/68/346862768.db2.gz XHYPFHUPFDQRPG-UHFFFAOYSA-N 0 3 248.301 3.341 20 0 BGADHN CCC1(CC)CCN(Cc2c(C)n[nH]c2C)CC1 ZINC000362504241 387620682 /nfs/dbraw/zinc/62/06/82/387620682.db2.gz GFQRPKWAPQSGBI-UHFFFAOYSA-N 0 3 249.402 3.429 20 0 BGADHN CCC1(CC)CCN(Cc2cnc(C)cn2)CC1 ZINC000362504767 387620403 /nfs/dbraw/zinc/62/04/03/387620403.db2.gz KFLVJBODXFECNF-UHFFFAOYSA-N 0 3 247.386 3.187 20 0 BGADHN CN(Cc1cc(F)cc(Cl)c1)CC1CC1 ZINC000362505079 387620423 /nfs/dbraw/zinc/62/04/23/387620423.db2.gz LLJMGFVKIBTELR-UHFFFAOYSA-N 0 3 227.710 3.321 20 0 BGADHN CCC1(CC)CCN(Cc2cccn2C)CC1 ZINC000362505840 387620836 /nfs/dbraw/zinc/62/08/36/387620836.db2.gz PBSGCDRLJTVZJM-UHFFFAOYSA-N 0 3 234.387 3.427 20 0 BGADHN CCC1(CC)CCN(Cc2cnn(C)c2C)CC1 ZINC000362512304 387622875 /nfs/dbraw/zinc/62/28/75/387622875.db2.gz QDZNTKZWVSDTBX-UHFFFAOYSA-N 0 3 249.402 3.131 20 0 BGADHN CCN(Cc1cc(F)cc(Cl)c1)C1CC1 ZINC000362516105 356946701 /nfs/dbraw/zinc/94/67/01/356946701.db2.gz MIKKXTASQBZLRK-UHFFFAOYSA-N 0 3 227.710 3.463 20 0 BGADHN CCCN(C)Cc1cc(F)cc(Cl)c1 ZINC000362517050 169080650 /nfs/dbraw/zinc/08/06/50/169080650.db2.gz VXGREUJJIHNEEJ-UHFFFAOYSA-N 0 3 215.699 3.321 20 0 BGADHN CCN(CC)Cc1cc(F)cc(Cl)c1 ZINC000362524841 387624929 /nfs/dbraw/zinc/62/49/29/387624929.db2.gz JRYXWRDTWDVYPF-UHFFFAOYSA-N 0 3 215.699 3.321 20 0 BGADHN CC(C)N(C)Cc1cc(F)cc(Cl)c1 ZINC000362527888 187220082 /nfs/dbraw/zinc/22/00/82/187220082.db2.gz GWRDKCUZUFCGET-UHFFFAOYSA-N 0 3 215.699 3.319 20 0 BGADHN CN(Cc1cc(F)cc(Cl)c1)C1CCC1 ZINC000362529600 387624412 /nfs/dbraw/zinc/62/44/12/387624412.db2.gz SNMHQGVWNJMBRQ-UHFFFAOYSA-N 0 3 227.710 3.463 20 0 BGADHN CSCCN(C)Cc1cc(F)cc(Cl)c1 ZINC000362529936 387624751 /nfs/dbraw/zinc/62/47/51/387624751.db2.gz UGVOEROXVBHAIO-UHFFFAOYSA-N 0 3 247.766 3.274 20 0 BGADHN C(CC1CCCC1)CN1CCO[C@H](C2CC2)C1 ZINC000362556632 187383814 /nfs/dbraw/zinc/38/38/14/187383814.db2.gz VSZFTVMVBLBEPU-HNNXBMFYSA-N 0 3 237.387 3.068 20 0 BGADHN C(CC1CCCC1)CN1CCO[C@@H](C2CC2)C1 ZINC000362556633 187383279 /nfs/dbraw/zinc/38/32/79/187383279.db2.gz VSZFTVMVBLBEPU-OAHLLOKOSA-N 0 3 237.387 3.068 20 0 BGADHN Cc1ccccc1[C@H](C)N1CCO[C@H](C2CC2)C1 ZINC000362568369 179336454 /nfs/dbraw/zinc/33/64/54/179336454.db2.gz KVMMYLARHCWSAK-BBRMVZONSA-N 0 3 245.366 3.167 20 0 BGADHN Cc1ccccc1[C@@H](C)N1CCO[C@H](C2CC2)C1 ZINC000362568371 179318181 /nfs/dbraw/zinc/31/81/81/179318181.db2.gz KVMMYLARHCWSAK-CJNGLKHVSA-N 0 3 245.366 3.167 20 0 BGADHN Cc1ccccc1[C@@H](C)N1CCO[C@@H](C2CC2)C1 ZINC000362568381 179318345 /nfs/dbraw/zinc/31/83/45/179318345.db2.gz KVMMYLARHCWSAK-CZUORRHYSA-N 0 3 245.366 3.167 20 0 BGADHN Cc1ccccc1[C@H](C)N1CCO[C@@H](C2CC2)C1 ZINC000362568383 179335284 /nfs/dbraw/zinc/33/52/84/179335284.db2.gz KVMMYLARHCWSAK-XJKSGUPXSA-N 0 3 245.366 3.167 20 0 BGADHN CCSCCN1CCc2c(C)cc(C)cc2C1 ZINC000362578712 387634741 /nfs/dbraw/zinc/63/47/41/387634741.db2.gz FWLQPQVLVLKEHP-UHFFFAOYSA-N 0 3 249.423 3.415 20 0 BGADHN CCOCCCN1CCc2c(C)cc(C)cc2C1 ZINC000362584350 170375330 /nfs/dbraw/zinc/37/53/30/170375330.db2.gz UBBPNEUNUOUYFU-UHFFFAOYSA-N 0 3 247.382 3.088 20 0 BGADHN COc1ccc(CN2CC3CCC2CC3)cc1F ZINC000362624772 175098384 /nfs/dbraw/zinc/09/83/84/175098384.db2.gz YFJKRYIDANAUFY-UHFFFAOYSA-N 0 3 249.329 3.209 20 0 BGADHN Cc1n[nH]cc1CN1CCC(C2CCCC2)CC1 ZINC000362652740 387645806 /nfs/dbraw/zinc/64/58/06/387645806.db2.gz FJBSRUNBKNCESB-UHFFFAOYSA-N 0 3 247.386 3.120 20 0 BGADHN c1csc([C@H]2CCCN2C2CCCC2)n1 ZINC000362654437 387645048 /nfs/dbraw/zinc/64/50/48/387645048.db2.gz KXTOEVHCTFMSKV-LLVKDONJSA-N 0 3 222.357 3.223 20 0 BGADHN c1csc([C@@H]2CCCN2C2CCCC2)n1 ZINC000362654438 387646189 /nfs/dbraw/zinc/64/61/89/387646189.db2.gz KXTOEVHCTFMSKV-NSHDSACASA-N 0 3 222.357 3.223 20 0 BGADHN Cc1n[nH]cc1CN1CCC2(C1)CCC(C)CC2 ZINC000362658482 387646272 /nfs/dbraw/zinc/64/62/72/387646272.db2.gz ZQXPQOOCHGXYIU-UHFFFAOYSA-N 0 3 247.386 3.120 20 0 BGADHN CN(C)CCSCc1ccccc1C1CC1 ZINC000362716980 535919743 /nfs/dbraw/zinc/91/97/43/535919743.db2.gz OXIRHAPAVWQPIR-UHFFFAOYSA-N 0 3 235.396 3.359 20 0 BGADHN CN(C)CCSC1CCC(C)(C)CC1 ZINC000362718420 535919961 /nfs/dbraw/zinc/91/99/61/535919961.db2.gz XEXBCSDHYVFRQB-UHFFFAOYSA-N 0 3 215.406 3.250 20 0 BGADHN COc1ccc(CN(CCC(C)C)C2CC2)cn1 ZINC000362850337 538953179 /nfs/dbraw/zinc/95/31/79/538953179.db2.gz APUXUAWISAAHFP-UHFFFAOYSA-N 0 3 248.370 3.101 20 0 BGADHN CC(C)(CF)NCc1cc2ccc(F)cc2[nH]1 ZINC000362925854 187383185 /nfs/dbraw/zinc/38/31/85/187383185.db2.gz VSUBUVKQPHAQLI-UHFFFAOYSA-N 0 3 238.281 3.145 20 0 BGADHN CC[C@@H](C)c1nnc([C@H](C)NC[C@@H](C)CC)[nH]1 ZINC000362930255 171286928 /nfs/dbraw/zinc/28/69/28/171286928.db2.gz KROXNJIRGSFEBB-AXFHLTTASA-N 0 3 238.379 3.015 20 0 BGADHN CC[C@@H](C)c1nnc([C@H](C)[NH2+]C[C@@H](C)CC)[n-]1 ZINC000362930255 171286926 /nfs/dbraw/zinc/28/69/26/171286926.db2.gz KROXNJIRGSFEBB-AXFHLTTASA-N 0 3 238.379 3.015 20 0 BGADHN CC[C@H](C)CN[C@@H](C)c1nnc([C@@H](C)CC)[nH]1 ZINC000362930256 171286990 /nfs/dbraw/zinc/28/69/90/171286990.db2.gz KROXNJIRGSFEBB-DCAQKATOSA-N 0 3 238.379 3.015 20 0 BGADHN CC[C@H](C)C[NH2+][C@@H](C)c1nnc([C@@H](C)CC)[n-]1 ZINC000362930256 171286989 /nfs/dbraw/zinc/28/69/89/171286989.db2.gz KROXNJIRGSFEBB-DCAQKATOSA-N 0 3 238.379 3.015 20 0 BGADHN CC[C@H](C)CN[C@H](C)c1nnc([C@@H](C)CC)[nH]1 ZINC000362930257 171287259 /nfs/dbraw/zinc/28/72/59/171287259.db2.gz KROXNJIRGSFEBB-GARJFASQSA-N 0 3 238.379 3.015 20 0 BGADHN CC[C@H](C)C[NH2+][C@H](C)c1nnc([C@@H](C)CC)[n-]1 ZINC000362930257 171287256 /nfs/dbraw/zinc/28/72/56/171287256.db2.gz KROXNJIRGSFEBB-GARJFASQSA-N 0 3 238.379 3.015 20 0 BGADHN CC[C@@H](C)c1nnc([C@@H](C)NC[C@@H](C)CC)[nH]1 ZINC000362930258 171286530 /nfs/dbraw/zinc/28/65/30/171286530.db2.gz KROXNJIRGSFEBB-HBNTYKKESA-N 0 3 238.379 3.015 20 0 BGADHN CC[C@@H](C)c1nnc([C@@H](C)[NH2+]C[C@@H](C)CC)[n-]1 ZINC000362930258 171286529 /nfs/dbraw/zinc/28/65/29/171286529.db2.gz KROXNJIRGSFEBB-HBNTYKKESA-N 0 3 238.379 3.015 20 0 BGADHN Cc1cc(CN2CCC[C@H]2CCC(C)C)nn1C ZINC000362949734 387676545 /nfs/dbraw/zinc/67/65/45/387676545.db2.gz SICSAQUWDIURPC-HNNXBMFYSA-N 0 3 249.402 3.129 20 0 BGADHN Cc1cc(CN2CCC[C@@H]2CCC(C)C)nn1C ZINC000362949735 387676576 /nfs/dbraw/zinc/67/65/76/387676576.db2.gz SICSAQUWDIURPC-OAHLLOKOSA-N 0 3 249.402 3.129 20 0 BGADHN Cc1cc(CN2CCCC[C@H]2CC(C)C)nn1C ZINC000362952312 387678188 /nfs/dbraw/zinc/67/81/88/387678188.db2.gz QSDBVUFBKXMACY-HNNXBMFYSA-N 0 3 249.402 3.129 20 0 BGADHN Cc1cc(CN2CCCC[C@@H]2CC(C)C)nn1C ZINC000362952313 387676918 /nfs/dbraw/zinc/67/69/18/387676918.db2.gz QSDBVUFBKXMACY-OAHLLOKOSA-N 0 3 249.402 3.129 20 0 BGADHN Cc1cc(CN(C)C2CCC(C)(C)CC2)nn1C ZINC000362960938 387680095 /nfs/dbraw/zinc/68/00/95/387680095.db2.gz SRZGTNMWIFDPFU-UHFFFAOYSA-N 0 3 249.402 3.129 20 0 BGADHN CCCCC[C@H]1CCCN1Cc1cc(C)n(C)n1 ZINC000362963078 387680372 /nfs/dbraw/zinc/68/03/72/387680372.db2.gz HZCNPMNHJHZQJG-HNNXBMFYSA-N 0 3 249.402 3.273 20 0 BGADHN CCCCC[C@@H]1CCCN1Cc1cc(C)n(C)n1 ZINC000362963080 387679823 /nfs/dbraw/zinc/67/98/23/387679823.db2.gz HZCNPMNHJHZQJG-OAHLLOKOSA-N 0 3 249.402 3.273 20 0 BGADHN CCC[C@@H](C)[C@@H]1CCCN1Cc1cc(C)n(C)n1 ZINC000362966242 169373179 /nfs/dbraw/zinc/37/31/79/169373179.db2.gz JYGUDMQTIBXPJF-DOMZBBRYSA-N 0 3 249.402 3.129 20 0 BGADHN CCC[C@@H](C)[C@H]1CCCN1Cc1cc(C)n(C)n1 ZINC000362966243 169374440 /nfs/dbraw/zinc/37/44/40/169374440.db2.gz JYGUDMQTIBXPJF-IUODEOHRSA-N 0 3 249.402 3.129 20 0 BGADHN CCC[C@H](C)[C@H]1CCCN1Cc1cc(C)n(C)n1 ZINC000362966244 387680914 /nfs/dbraw/zinc/68/09/14/387680914.db2.gz JYGUDMQTIBXPJF-SWLSCSKDSA-N 0 3 249.402 3.129 20 0 BGADHN CCC[C@H](C)[C@@H]1CCCN1Cc1cc(C)n(C)n1 ZINC000362966245 387679146 /nfs/dbraw/zinc/67/91/46/387679146.db2.gz JYGUDMQTIBXPJF-WFASDCNBSA-N 0 3 249.402 3.129 20 0 BGADHN CC[C@H](C)[C@H](CNCc1ccsc1C)OC ZINC000362974934 171391908 /nfs/dbraw/zinc/39/19/08/171391908.db2.gz CFLXLUFEYLXPIP-GWCFXTLKSA-N 0 3 241.400 3.207 20 0 BGADHN CC[C@H](C)[C@@H](CNCc1ccsc1C)OC ZINC000362974935 171368450 /nfs/dbraw/zinc/36/84/50/171368450.db2.gz CFLXLUFEYLXPIP-GXFFZTMASA-N 0 3 241.400 3.207 20 0 BGADHN CC[C@@H](C)[C@H](CNCc1ccsc1C)OC ZINC000362974936 388561519 /nfs/dbraw/zinc/56/15/19/388561519.db2.gz CFLXLUFEYLXPIP-MFKMUULPSA-N 0 3 241.400 3.207 20 0 BGADHN CC[C@@H](C)[C@@H](CNCc1ccsc1C)OC ZINC000362974937 388561479 /nfs/dbraw/zinc/56/14/79/388561479.db2.gz CFLXLUFEYLXPIP-ZWNOBZJWSA-N 0 3 241.400 3.207 20 0 BGADHN CC[C@H](C)[C@@H](CNCc1ccc(Cl)o1)OC ZINC000362977442 171369052 /nfs/dbraw/zinc/36/90/52/171369052.db2.gz RCCUMDBHZYEFTL-GXSJLCMTSA-N 0 3 245.750 3.084 20 0 BGADHN CC[C@@H](C)[C@H](CNCc1ccc(Cl)o1)OC ZINC000362977443 388563248 /nfs/dbraw/zinc/56/32/48/388563248.db2.gz RCCUMDBHZYEFTL-KOLCDFICSA-N 0 3 245.750 3.084 20 0 BGADHN CC[C@@H](C)[C@@H](CNCc1ccc(Cl)o1)OC ZINC000362977444 384867549 /nfs/dbraw/zinc/86/75/49/384867549.db2.gz RCCUMDBHZYEFTL-MWLCHTKSSA-N 0 3 245.750 3.084 20 0 BGADHN CC[C@H](C)[C@H](CNCc1ccc(Cl)o1)OC ZINC000362977445 171392430 /nfs/dbraw/zinc/39/24/30/171392430.db2.gz RCCUMDBHZYEFTL-ONGXEEELSA-N 0 3 245.750 3.084 20 0 BGADHN CC[C@H](C)[C@H](CNCc1csc(C)c1)OC ZINC000362977730 171393639 /nfs/dbraw/zinc/39/36/39/171393639.db2.gz UEAFGHCJTJJCCS-GWCFXTLKSA-N 0 3 241.400 3.207 20 0 BGADHN CC[C@H](C)[C@@H](CNCc1csc(C)c1)OC ZINC000362977731 171369082 /nfs/dbraw/zinc/36/90/82/171369082.db2.gz UEAFGHCJTJJCCS-GXFFZTMASA-N 0 3 241.400 3.207 20 0 BGADHN CC[C@@H](C)[C@H](CNCc1csc(C)c1)OC ZINC000362977732 388562899 /nfs/dbraw/zinc/56/28/99/388562899.db2.gz UEAFGHCJTJJCCS-MFKMUULPSA-N 0 3 241.400 3.207 20 0 BGADHN CC[C@@H](C)[C@@H](CNCc1csc(C)c1)OC ZINC000362977733 388562651 /nfs/dbraw/zinc/56/26/51/388562651.db2.gz UEAFGHCJTJJCCS-ZWNOBZJWSA-N 0 3 241.400 3.207 20 0 BGADHN COCCCN1CCC(=Cc2ccccc2)CC1 ZINC000363136457 174227242 /nfs/dbraw/zinc/22/72/42/174227242.db2.gz IVHZWPNMCNHGRK-UHFFFAOYSA-N 0 3 245.366 3.202 20 0 BGADHN FCCCN1CC=C(c2cccc(F)c2)CC1 ZINC000363156024 387693303 /nfs/dbraw/zinc/69/33/03/387693303.db2.gz BXOHYSIBGXOLIT-UHFFFAOYSA-N 0 3 237.293 3.274 20 0 BGADHN C[C@@H]1C[C@@H](c2cccs2)CN1Cc1ccno1 ZINC000363258233 387699755 /nfs/dbraw/zinc/69/97/55/387699755.db2.gz DZOFCWHQWVXOJJ-GHMZBOCLSA-N 0 3 248.351 3.114 20 0 BGADHN C[C@@H]1C[C@H](c2cccs2)CN1Cc1ccno1 ZINC000363258234 387699401 /nfs/dbraw/zinc/69/94/01/387699401.db2.gz DZOFCWHQWVXOJJ-MNOVXSKESA-N 0 3 248.351 3.114 20 0 BGADHN C[C@H]1C[C@H](c2cccs2)CN1Cc1ccno1 ZINC000363258235 177375389 /nfs/dbraw/zinc/37/53/89/177375389.db2.gz DZOFCWHQWVXOJJ-QWRGUYRKSA-N 0 3 248.351 3.114 20 0 BGADHN C[C@H]1C[C@@H](c2cccs2)CN1Cc1ccno1 ZINC000363258236 177339035 /nfs/dbraw/zinc/33/90/35/177339035.db2.gz DZOFCWHQWVXOJJ-WDEREUQCSA-N 0 3 248.351 3.114 20 0 BGADHN CCCN1CCSC[C@H]1c1cccs1 ZINC000363285383 169204220 /nfs/dbraw/zinc/20/42/20/169204220.db2.gz JOBUXBVTCIYLQV-JTQLQIEISA-N 0 3 227.398 3.248 20 0 BGADHN CCCN1CCSC[C@@H]1c1cccs1 ZINC000363285384 169204630 /nfs/dbraw/zinc/20/46/30/169204630.db2.gz JOBUXBVTCIYLQV-SNVBAGLBSA-N 0 3 227.398 3.248 20 0 BGADHN COc1cccc(C2=CCN(C(C)C)CC2)c1 ZINC000363377388 175249190 /nfs/dbraw/zinc/24/91/90/175249190.db2.gz AOHJARKLRQTVTK-UHFFFAOYSA-N 0 3 231.339 3.193 20 0 BGADHN c1ccc2oc(CN3CCC[C@@H]3C3CC3)nc2c1 ZINC000363384414 384234255 /nfs/dbraw/zinc/23/42/55/384234255.db2.gz KCUJOIFQOFQQCJ-CYBMUJFWSA-N 0 3 242.322 3.202 20 0 BGADHN c1ccc2oc(CN3CCC[C@H]3C3CC3)nc2c1 ZINC000363384415 384234396 /nfs/dbraw/zinc/23/43/96/384234396.db2.gz KCUJOIFQOFQQCJ-ZDUSSCGKSA-N 0 3 242.322 3.202 20 0 BGADHN COc1ccc(CN2CCC[C@H]2C2CC2)cc1F ZINC000363385087 175100064 /nfs/dbraw/zinc/10/00/64/175100064.db2.gz UAVUYJHSXSWRNH-AWEZNQCLSA-N 0 3 249.329 3.209 20 0 BGADHN COc1ccc(CN2CCC[C@@H]2C2CC2)cc1F ZINC000363385088 384236817 /nfs/dbraw/zinc/23/68/17/384236817.db2.gz UAVUYJHSXSWRNH-CQSZACIVSA-N 0 3 249.329 3.209 20 0 BGADHN Clc1cc(CN2CCC[C@@H]2C2CC2)ccn1 ZINC000363386975 409915722 /nfs/dbraw/zinc/91/57/22/409915722.db2.gz XGOKMLDYOTVYOB-GFCCVEGCSA-N 0 3 236.746 3.109 20 0 BGADHN Clc1cc(CN2CCC[C@H]2C2CC2)ccn1 ZINC000363386976 409917287 /nfs/dbraw/zinc/91/72/87/409917287.db2.gz XGOKMLDYOTVYOB-LBPRGKRZSA-N 0 3 236.746 3.109 20 0 BGADHN c1cc(CN2CCCC3(CCCCC3)C2)on1 ZINC000363403074 183339102 /nfs/dbraw/zinc/33/91/02/183339102.db2.gz WFEALULWTWGOEP-UHFFFAOYSA-N 0 3 234.343 3.221 20 0 BGADHN c1ccc2cc(CN3CCCOCC3)ccc2c1 ZINC000363436304 384021467 /nfs/dbraw/zinc/02/14/67/384021467.db2.gz IACDODYZLBQROD-UHFFFAOYSA-N 0 3 241.334 3.062 20 0 BGADHN c1ccc2c(c1)cccc2CN1CCCOCC1 ZINC000363436799 410006030 /nfs/dbraw/zinc/00/60/30/410006030.db2.gz PKAIGCOYZLAZQI-UHFFFAOYSA-N 0 3 241.334 3.062 20 0 BGADHN Cc1cc([C@H]2CCCN2C2CCCC2)no1 ZINC000363467311 178267243 /nfs/dbraw/zinc/26/72/43/178267243.db2.gz IUCQJXORSHYFCX-CYBMUJFWSA-N 0 3 220.316 3.063 20 0 BGADHN Cc1cc([C@@H]2CCCN2C2CCCC2)no1 ZINC000363467312 178240542 /nfs/dbraw/zinc/24/05/42/178240542.db2.gz IUCQJXORSHYFCX-ZDUSSCGKSA-N 0 3 220.316 3.063 20 0 BGADHN CCCCCN1CCC[C@@H]1c1nccs1 ZINC000363473281 384625109 /nfs/dbraw/zinc/62/51/09/384625109.db2.gz AJOXCNZANYHSSP-LLVKDONJSA-N 0 3 224.373 3.470 20 0 BGADHN CCCCCN1CCC[C@H]1c1nccs1 ZINC000363473282 384625347 /nfs/dbraw/zinc/62/53/47/384625347.db2.gz AJOXCNZANYHSSP-NSHDSACASA-N 0 3 224.373 3.470 20 0 BGADHN Clc1ncccc1CN1CCC[C@@H]1C1CC1 ZINC000363475589 384203220 /nfs/dbraw/zinc/20/32/20/384203220.db2.gz PYOXSCATVRFRGJ-GFCCVEGCSA-N 0 3 236.746 3.109 20 0 BGADHN Clc1ncccc1CN1CCC[C@H]1C1CC1 ZINC000363475595 384201994 /nfs/dbraw/zinc/20/19/94/384201994.db2.gz PYOXSCATVRFRGJ-LBPRGKRZSA-N 0 3 236.746 3.109 20 0 BGADHN Cc1ncc(CN2CCC23CCCCC3)s1 ZINC000363476855 180142963 /nfs/dbraw/zinc/14/29/63/180142963.db2.gz YSTUYSPXRQSTPS-UHFFFAOYSA-N 0 3 236.384 3.360 20 0 BGADHN CC(=O)CCN1CCC[C@H](c2ccc(C)cc2)C1 ZINC000363508332 384960717 /nfs/dbraw/zinc/96/07/17/384960717.db2.gz KIITUJMJYYJDIK-INIZCTEOSA-N 0 3 245.366 3.154 20 0 BGADHN CC(=O)CCN1CCC[C@@H](c2ccc(C)cc2)C1 ZINC000363508333 191087006 /nfs/dbraw/zinc/08/70/06/191087006.db2.gz KIITUJMJYYJDIK-MRXNPFEDSA-N 0 3 245.366 3.154 20 0 BGADHN Clc1ccc(CN2CCC[C@@H]2C2CC2)cn1 ZINC000363512435 384241290 /nfs/dbraw/zinc/24/12/90/384241290.db2.gz WLTYWAJSFBAYFX-GFCCVEGCSA-N 0 3 236.746 3.109 20 0 BGADHN Clc1ccc(CN2CCC[C@H]2C2CC2)cn1 ZINC000363512436 384242088 /nfs/dbraw/zinc/24/20/88/384242088.db2.gz WLTYWAJSFBAYFX-LBPRGKRZSA-N 0 3 236.746 3.109 20 0 BGADHN CC(C)CCCN(C)[C@H]1CCCc2c1cnn2C ZINC000363858662 385761557 /nfs/dbraw/zinc/76/15/57/385761557.db2.gz UOLZBAPEQDDOBG-AWEZNQCLSA-N 0 3 249.402 3.166 20 0 BGADHN CC(C)CCCN(C)[C@@H]1CCCc2c1cnn2C ZINC000363858664 385760508 /nfs/dbraw/zinc/76/05/08/385760508.db2.gz UOLZBAPEQDDOBG-CQSZACIVSA-N 0 3 249.402 3.166 20 0 BGADHN CO[C@@H]1[C@H](C)[C@@H](N[C@H](C)c2ccco2)C12CCC2 ZINC000363904806 384612475 /nfs/dbraw/zinc/61/24/75/384612475.db2.gz APVKHSBOWNQESB-HBJVGIJOSA-N 0 3 249.354 3.134 20 0 BGADHN CO[C@@H]1[C@H](C)[C@H](N[C@H](C)c2ccco2)C12CCC2 ZINC000363904807 384610500 /nfs/dbraw/zinc/61/05/00/384610500.db2.gz APVKHSBOWNQESB-MHDGFBEUSA-N 0 3 249.354 3.134 20 0 BGADHN CO[C@@H]1[C@H](C)[C@H](N[C@@H](C)c2ccco2)C12CCC2 ZINC000363904809 384613290 /nfs/dbraw/zinc/61/32/90/384613290.db2.gz APVKHSBOWNQESB-UVLXDEKHSA-N 0 3 249.354 3.134 20 0 BGADHN CO[C@@H]1[C@H](C)[C@@H](N[C@@H](C)c2ccco2)C12CCC2 ZINC000363904811 384611081 /nfs/dbraw/zinc/61/10/81/384611081.db2.gz APVKHSBOWNQESB-ZMJPVWNMSA-N 0 3 249.354 3.134 20 0 BGADHN CC[C@@]1(C)C[C@H]1C(=O)N1CC2(C1)CCCCC2 ZINC000363917533 171207094 /nfs/dbraw/zinc/20/70/94/171207094.db2.gz FUHAFOJZXICKKU-JSGCOSHPSA-N 0 3 235.371 3.215 20 0 BGADHN CC(C)=CCN1CC=C(c2cnccc2C)CC1 ZINC000364028536 188347592 /nfs/dbraw/zinc/34/75/92/188347592.db2.gz JSSJQJOEPFDCGP-UHFFFAOYSA-N 0 3 242.366 3.445 20 0 BGADHN C[C@H](c1cnccn1)N1C[C@@H]2CCCCCC[C@@H]21 ZINC000364151304 177052602 /nfs/dbraw/zinc/05/26/02/177052602.db2.gz JBXCICZUSHZJAY-IPYPFGDCSA-N 0 3 245.370 3.192 20 0 BGADHN C[C@H](c1cnccn1)N1C[C@H]2CCCCCC[C@@H]21 ZINC000364151305 177052255 /nfs/dbraw/zinc/05/22/55/177052255.db2.gz JBXCICZUSHZJAY-NFAWXSAZSA-N 0 3 245.370 3.192 20 0 BGADHN C[C@H](c1cnccn1)N1C[C@H]2CCCCCC[C@H]21 ZINC000364151306 177052321 /nfs/dbraw/zinc/05/23/21/177052321.db2.gz JBXCICZUSHZJAY-UMVBOHGHSA-N 0 3 245.370 3.192 20 0 BGADHN C[C@H](c1cnccn1)N1C[C@@H]2CCCCCC[C@H]21 ZINC000364151307 177052316 /nfs/dbraw/zinc/05/23/16/177052316.db2.gz JBXCICZUSHZJAY-VNHYZAJKSA-N 0 3 245.370 3.192 20 0 BGADHN Cc1nccnc1[C@@H](C)NCC12CCC(CC1)C2 ZINC000364243931 180280276 /nfs/dbraw/zinc/28/02/76/180280276.db2.gz AJANJKVILQTMFP-DNOWBOINSA-N 0 3 245.370 3.016 20 0 BGADHN Cc1nccnc1[C@H](C)NCC12CCC(CC1)C2 ZINC000364243932 180282344 /nfs/dbraw/zinc/28/23/44/180282344.db2.gz AJANJKVILQTMFP-OPFPJEHXSA-N 0 3 245.370 3.016 20 0 BGADHN Fc1ccc(CN2CCC3(C2)CCCCC3)nc1 ZINC000364286789 385327352 /nfs/dbraw/zinc/32/73/52/385327352.db2.gz YHRYZPNIAAGEHZ-UHFFFAOYSA-N 0 3 248.345 3.377 20 0 BGADHN CCN1CC=C(c2cncc3ccccc32)CC1 ZINC000364290590 347362526 /nfs/dbraw/zinc/36/25/26/347362526.db2.gz LZXDSQGAYILVJX-UHFFFAOYSA-N 0 3 238.334 3.344 20 0 BGADHN Clc1ccc(C2=CCN(CC3CC3)CC2)cn1 ZINC000364306973 188174513 /nfs/dbraw/zinc/17/45/13/188174513.db2.gz RZYDEFMMCLUTMZ-UHFFFAOYSA-N 0 3 248.757 3.234 20 0 BGADHN CN([C@@H]1C=CCCC1)[C@H]1CCCc2cccnc21 ZINC000364314823 411063670 /nfs/dbraw/zinc/06/36/70/411063670.db2.gz PQCOFTFAULBBOC-CABCVRRESA-N 0 3 242.366 3.500 20 0 BGADHN CN([C@H]1C=CCCC1)[C@H]1CCCc2cccnc21 ZINC000364314824 385348322 /nfs/dbraw/zinc/34/83/22/385348322.db2.gz PQCOFTFAULBBOC-GJZGRUSLSA-N 0 3 242.366 3.500 20 0 BGADHN CN([C@@H]1CCCc2cccnc21)[C@@H]1C=CCCC1 ZINC000364314825 385348341 /nfs/dbraw/zinc/34/83/41/385348341.db2.gz PQCOFTFAULBBOC-HUUCEWRRSA-N 0 3 242.366 3.500 20 0 BGADHN CN([C@H]1C=CCCC1)[C@@H]1CCCc2cccnc21 ZINC000364314826 385348361 /nfs/dbraw/zinc/34/83/61/385348361.db2.gz PQCOFTFAULBBOC-LSDHHAIUSA-N 0 3 242.366 3.500 20 0 BGADHN CC(C)CCNCc1ncoc1-c1ccccc1 ZINC000364332507 385360284 /nfs/dbraw/zinc/36/02/84/385360284.db2.gz POVVBAUMULHRLL-UHFFFAOYSA-N 0 3 244.338 3.477 20 0 BGADHN Cc1ccc(CN2CCC3(CC3)CC2)c(C)n1 ZINC000364359484 385385360 /nfs/dbraw/zinc/38/53/60/385385360.db2.gz HBQPKYMWDPZUQU-UHFFFAOYSA-N 0 3 230.355 3.074 20 0 BGADHN Cc1ccc(CN2CC3CCC2CC3)c(C)n1 ZINC000364368283 385390797 /nfs/dbraw/zinc/39/07/97/385390797.db2.gz ZKEXPUONKPCCQX-UHFFFAOYSA-N 0 3 230.355 3.073 20 0 BGADHN COc1ccc(C2=CCN(C3CCC3)CC2)cc1 ZINC000364416787 175085182 /nfs/dbraw/zinc/08/51/82/175085182.db2.gz KGCUWPHFICJVPG-UHFFFAOYSA-N 0 3 243.350 3.337 20 0 BGADHN CCc1noc(C)c1CN1C[C@H]2CCCCC[C@@H]21 ZINC000364443705 172078320 /nfs/dbraw/zinc/07/83/20/172078320.db2.gz SRYXHCXYELBCHX-DOMZBBRYSA-N 0 3 248.370 3.310 20 0 BGADHN CCc1noc(C)c1CN1C[C@H]2CCCCC[C@H]21 ZINC000364443706 172076931 /nfs/dbraw/zinc/07/69/31/172076931.db2.gz SRYXHCXYELBCHX-IUODEOHRSA-N 0 3 248.370 3.310 20 0 BGADHN CCc1noc(C)c1CN1C[C@@H]2CCCCC[C@H]21 ZINC000364443707 172078348 /nfs/dbraw/zinc/07/83/48/172078348.db2.gz SRYXHCXYELBCHX-SWLSCSKDSA-N 0 3 248.370 3.310 20 0 BGADHN CCc1noc(C)c1CN1C[C@@H]2CCCCC[C@@H]21 ZINC000364443708 172078164 /nfs/dbraw/zinc/07/81/64/172078164.db2.gz SRYXHCXYELBCHX-WFASDCNBSA-N 0 3 248.370 3.310 20 0 BGADHN C[C@@H]1CCN(Cc2ccc(F)nc2)CC12CCC2 ZINC000364445665 176175689 /nfs/dbraw/zinc/17/56/89/176175689.db2.gz GCRHAAUJJYEABF-GFCCVEGCSA-N 0 3 248.345 3.233 20 0 BGADHN C[C@H]1CCN(Cc2ccc(F)nc2)CC12CCC2 ZINC000364445669 177163914 /nfs/dbraw/zinc/16/39/14/177163914.db2.gz GCRHAAUJJYEABF-LBPRGKRZSA-N 0 3 248.345 3.233 20 0 BGADHN CC(C)[C@@H](C)NCc1ncoc1-c1ccccc1 ZINC000364494068 167384162 /nfs/dbraw/zinc/38/41/62/167384162.db2.gz URUSHNNQKRRRRC-GFCCVEGCSA-N 0 3 244.338 3.476 20 0 BGADHN CC(C)[C@H](C)NCc1ncoc1-c1ccccc1 ZINC000364494070 385470923 /nfs/dbraw/zinc/47/09/23/385470923.db2.gz URUSHNNQKRRRRC-LBPRGKRZSA-N 0 3 244.338 3.476 20 0 BGADHN Cc1oncc1CN1CCC(C2CCCC2)CC1 ZINC000364608492 385481184 /nfs/dbraw/zinc/48/11/84/385481184.db2.gz SDMNREHZKCLHQE-UHFFFAOYSA-N 0 3 248.370 3.385 20 0 BGADHN Cc1oncc1CN1CC[C@@H](CC2CCCC2)C1 ZINC000364627577 385482995 /nfs/dbraw/zinc/48/29/95/385482995.db2.gz DIYSKHZLHOIOSI-AWEZNQCLSA-N 0 3 248.370 3.385 20 0 BGADHN Cc1oncc1CN1CC[C@H](CC2CCCC2)C1 ZINC000364628053 385482084 /nfs/dbraw/zinc/48/20/84/385482084.db2.gz DIYSKHZLHOIOSI-CQSZACIVSA-N 0 3 248.370 3.385 20 0 BGADHN COc1cccc(C2=CCN(C3CCC3)CC2)c1 ZINC000364629008 175249201 /nfs/dbraw/zinc/24/92/01/175249201.db2.gz JPTHSXPICGYLPF-UHFFFAOYSA-N 0 3 243.350 3.337 20 0 BGADHN C[C@H]1C[C@@H](c2ccsc2)CN1Cc1ccno1 ZINC000364635188 177339748 /nfs/dbraw/zinc/33/97/48/177339748.db2.gz KQTFNEDKCGBWHZ-CMPLNLGQSA-N 0 3 248.351 3.114 20 0 BGADHN C[C@H]1C[C@H](c2ccsc2)CN1Cc1ccno1 ZINC000364635189 177375392 /nfs/dbraw/zinc/37/53/92/177375392.db2.gz KQTFNEDKCGBWHZ-JQWIXIFHSA-N 0 3 248.351 3.114 20 0 BGADHN C[C@@H]1C[C@H](c2ccsc2)CN1Cc1ccno1 ZINC000364635192 385482173 /nfs/dbraw/zinc/48/21/73/385482173.db2.gz KQTFNEDKCGBWHZ-PWSUYJOCSA-N 0 3 248.351 3.114 20 0 BGADHN C[C@@H]1C[C@@H](c2ccsc2)CN1Cc1ccno1 ZINC000364635194 176384412 /nfs/dbraw/zinc/38/44/12/176384412.db2.gz KQTFNEDKCGBWHZ-ZYHUDNBSSA-N 0 3 248.351 3.114 20 0 BGADHN Cc1ccc(CN2CCC[C@@]3(CCCCO3)C2)o1 ZINC000364805305 397913214 /nfs/dbraw/zinc/91/32/14/397913214.db2.gz FINYIFWPIVVTRT-HNNXBMFYSA-N 0 3 249.354 3.123 20 0 BGADHN Cc1ccc(CN2CCC[C@]3(CCCCO3)C2)o1 ZINC000364805307 397913193 /nfs/dbraw/zinc/91/31/93/397913193.db2.gz FINYIFWPIVVTRT-OAHLLOKOSA-N 0 3 249.354 3.123 20 0 BGADHN Cc1nc(CNCCCC(C)C)c2n1CCCC2 ZINC000364837501 397915338 /nfs/dbraw/zinc/91/53/38/397915338.db2.gz GNFUXLFIJUHFCP-UHFFFAOYSA-N 0 3 249.402 3.054 20 0 BGADHN Cc1nc(CNCCC(C)(C)C)c2n1CCCC2 ZINC000364839616 397915608 /nfs/dbraw/zinc/91/56/08/397915608.db2.gz NCXSZYGNMCDCJN-UHFFFAOYSA-N 0 3 249.402 3.054 20 0 BGADHN Clc1ccc(CN2CCC[C@@H]2C2CC2)nc1 ZINC000364878551 385533138 /nfs/dbraw/zinc/53/31/38/385533138.db2.gz INUCFGOJTOKXPE-CYBMUJFWSA-N 0 3 236.746 3.109 20 0 BGADHN Clc1ccc(CN2CCC[C@H]2C2CC2)nc1 ZINC000364878554 385535189 /nfs/dbraw/zinc/53/51/89/385535189.db2.gz INUCFGOJTOKXPE-ZDUSSCGKSA-N 0 3 236.746 3.109 20 0 BGADHN Fc1ccccc1[C@@H]1CCN1CC[C@H]1CCCO1 ZINC000364916513 188176943 /nfs/dbraw/zinc/17/69/43/188176943.db2.gz NZFROYGMNCBEJF-DOMZBBRYSA-N 0 3 249.329 3.142 20 0 BGADHN Fc1ccccc1[C@H]1CCN1CC[C@H]1CCCO1 ZINC000364916520 181015757 /nfs/dbraw/zinc/01/57/57/181015757.db2.gz NZFROYGMNCBEJF-IUODEOHRSA-N 0 3 249.329 3.142 20 0 BGADHN Fc1ccccc1[C@H]1CCN1CC[C@@H]1CCCO1 ZINC000364916521 181016084 /nfs/dbraw/zinc/01/60/84/181016084.db2.gz NZFROYGMNCBEJF-SWLSCSKDSA-N 0 3 249.329 3.142 20 0 BGADHN Fc1ccccc1[C@@H]1CCN1CC[C@@H]1CCCO1 ZINC000364916522 187317626 /nfs/dbraw/zinc/31/76/26/187317626.db2.gz NZFROYGMNCBEJF-WFASDCNBSA-N 0 3 249.329 3.142 20 0 BGADHN CCN(CCCF)[C@@H]1CCCc2cccnc21 ZINC000364997101 397931921 /nfs/dbraw/zinc/93/19/21/397931921.db2.gz BNCPUDNSQQRMTJ-CYBMUJFWSA-N 0 3 236.334 3.141 20 0 BGADHN CCN(CCCF)[C@H]1CCCc2cccnc21 ZINC000364997102 397932105 /nfs/dbraw/zinc/93/21/05/397932105.db2.gz BNCPUDNSQQRMTJ-ZDUSSCGKSA-N 0 3 236.334 3.141 20 0 BGADHN C[C@@H]1c2ccsc2CCN1C[C@@H]1CCC=CO1 ZINC000365121479 385606619 /nfs/dbraw/zinc/60/66/19/385606619.db2.gz OLHLPAOHPUYHCG-NEPJUHHUSA-N 0 3 249.379 3.360 20 0 BGADHN C[C@H]1c2ccsc2CCN1C[C@H]1CCC=CO1 ZINC000365121480 385605973 /nfs/dbraw/zinc/60/59/73/385605973.db2.gz OLHLPAOHPUYHCG-NWDGAFQWSA-N 0 3 249.379 3.360 20 0 BGADHN C[C@H]1c2ccsc2CCN1C[C@@H]1CCC=CO1 ZINC000365121481 385605861 /nfs/dbraw/zinc/60/58/61/385605861.db2.gz OLHLPAOHPUYHCG-RYUDHWBXSA-N 0 3 249.379 3.360 20 0 BGADHN C[C@@H]1c2ccsc2CCN1C[C@H]1CCC=CO1 ZINC000365121482 385606343 /nfs/dbraw/zinc/60/63/43/385606343.db2.gz OLHLPAOHPUYHCG-VXGBXAGGSA-N 0 3 249.379 3.360 20 0 BGADHN c1nc(CN2CCCC23CCCC3)oc1C1CC1 ZINC000365137148 385609367 /nfs/dbraw/zinc/60/93/67/385609367.db2.gz VQTHXPPAWFXFHR-UHFFFAOYSA-N 0 3 246.354 3.461 20 0 BGADHN CCN1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000365165250 349013636 /nfs/dbraw/zinc/01/36/36/349013636.db2.gz NLRWOKHALZGXCV-GFCCVEGCSA-N 0 3 211.255 3.122 20 0 BGADHN CCN1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000365165260 349013506 /nfs/dbraw/zinc/01/35/06/349013506.db2.gz NLRWOKHALZGXCV-LBPRGKRZSA-N 0 3 211.255 3.122 20 0 BGADHN CCC(=O)CCN1CC[C@H](c2cccc(C)c2)C1 ZINC000365180704 168202679 /nfs/dbraw/zinc/20/26/79/168202679.db2.gz HZAOSRBCFQIWKV-HNNXBMFYSA-N 0 3 245.366 3.154 20 0 BGADHN CCC(=O)CCN1CC[C@@H](c2cccc(C)c2)C1 ZINC000365180705 168202268 /nfs/dbraw/zinc/20/22/68/168202268.db2.gz HZAOSRBCFQIWKV-OAHLLOKOSA-N 0 3 245.366 3.154 20 0 BGADHN Clc1ccc(C2=CCN(C3CCC3)CC2)cn1 ZINC000365225183 385963324 /nfs/dbraw/zinc/96/33/24/385963324.db2.gz XXOKMTBCBYGPHL-UHFFFAOYSA-N 0 3 248.757 3.377 20 0 BGADHN COc1ccc2c(c1)OCC[C@@H]2NCC=C(C)C ZINC000365246142 175212752 /nfs/dbraw/zinc/21/27/52/175212752.db2.gz ORRQASPKFAXTPH-AWEZNQCLSA-N 0 3 247.338 3.075 20 0 BGADHN COc1ccc2c(c1)OCC[C@H]2NCC=C(C)C ZINC000365246144 175212910 /nfs/dbraw/zinc/21/29/10/175212910.db2.gz ORRQASPKFAXTPH-CQSZACIVSA-N 0 3 247.338 3.075 20 0 BGADHN Cc1cc(CN2CCC3(C2)CCC(C)CC3)on1 ZINC000365261724 385979682 /nfs/dbraw/zinc/97/96/82/385979682.db2.gz YYCSEWKTVBVQRJ-UHFFFAOYSA-N 0 3 248.370 3.385 20 0 BGADHN Cc1nc(CN2CCCC23CCCC3)oc1C ZINC000365313233 386030814 /nfs/dbraw/zinc/03/08/14/386030814.db2.gz JBOJAAKJHITSOJ-UHFFFAOYSA-N 0 3 234.343 3.200 20 0 BGADHN C[C@@H]1CC2(CCC2)CN1Cc1ccco1 ZINC000365440277 176058104 /nfs/dbraw/zinc/05/81/04/176058104.db2.gz BBRWBKBVHUQYHS-LLVKDONJSA-N 0 3 205.301 3.044 20 0 BGADHN C[C@H]1CC2(CCC2)CN1Cc1ccco1 ZINC000365440278 177067406 /nfs/dbraw/zinc/06/74/06/177067406.db2.gz BBRWBKBVHUQYHS-NSHDSACASA-N 0 3 205.301 3.044 20 0 BGADHN CC(C)=CCN[C@H]1CCCc2cnn(C(C)C)c21 ZINC000365499471 187320366 /nfs/dbraw/zinc/32/03/66/187320366.db2.gz ZWEKGCBYRSCXQT-AWEZNQCLSA-N 0 3 247.386 3.397 20 0 BGADHN CC(C)=CCN[C@@H]1CCCc2cnn(C(C)C)c21 ZINC000365499472 187831238 /nfs/dbraw/zinc/83/12/38/187831238.db2.gz ZWEKGCBYRSCXQT-CQSZACIVSA-N 0 3 247.386 3.397 20 0 BGADHN Cc1csc(CN2CCCC23CCCC3)n1 ZINC000365513286 386141669 /nfs/dbraw/zinc/14/16/69/386141669.db2.gz KMUIGKLDPUHLQZ-UHFFFAOYSA-N 0 3 236.384 3.360 20 0 BGADHN CC[C@@]1(C)C[C@H]1C(=O)N1CCCC12CCCC2 ZINC000365541675 171207147 /nfs/dbraw/zinc/20/71/47/171207147.db2.gz VBLKDIXKVDZJAU-JSGCOSHPSA-N 0 3 235.371 3.358 20 0 BGADHN Cc1cn[nH]c1CN1CCC(C2CCCC2)CC1 ZINC000365612654 386215187 /nfs/dbraw/zinc/21/51/87/386215187.db2.gz MXJFUAQKVBGQPU-UHFFFAOYSA-N 0 3 247.386 3.120 20 0 BGADHN Cc1c[nH]nc1CN1CCCC2(CCCCC2)C1 ZINC000365614357 386216727 /nfs/dbraw/zinc/21/67/27/386216727.db2.gz GIUODBHUDJLUJQ-UHFFFAOYSA-N 0 3 247.386 3.264 20 0 BGADHN Cc1c[nH]nc1CN1CCC2(CCCCC2)CC1 ZINC000365659722 386657879 /nfs/dbraw/zinc/65/78/79/386657879.db2.gz NRIGIGBWIDODRQ-UHFFFAOYSA-N 0 3 247.386 3.264 20 0 BGADHN CC(C)N1CCC(C(=O)c2cccs2)CC1 ZINC000365778867 188364391 /nfs/dbraw/zinc/36/43/91/188364391.db2.gz AXPQJHIQCVMXTR-UHFFFAOYSA-N 0 3 237.368 3.051 20 0 BGADHN C[C@H](CCN1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC000365808330 385796115 /nfs/dbraw/zinc/79/61/15/385796115.db2.gz ZRBXYIZSVKXIHB-BMFZPTHFSA-N 0 3 245.366 3.043 20 0 BGADHN C[C@@H](CCN1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC000365808331 385796431 /nfs/dbraw/zinc/79/64/31/385796431.db2.gz ZRBXYIZSVKXIHB-CWRNSKLLSA-N 0 3 245.366 3.043 20 0 BGADHN Cc1csc2c1CN(C[C@H]1CCC=CO1)CC2 ZINC000365827915 385817325 /nfs/dbraw/zinc/81/73/25/385817325.db2.gz SHQYKNQMNSRRMB-GFCCVEGCSA-N 0 3 249.379 3.107 20 0 BGADHN Cc1csc2c1CN(C[C@@H]1CCC=CO1)CC2 ZINC000365827917 385817336 /nfs/dbraw/zinc/81/73/36/385817336.db2.gz SHQYKNQMNSRRMB-LBPRGKRZSA-N 0 3 249.379 3.107 20 0 BGADHN CC(C)n1ccnc1CN1CCCC12CCCC2 ZINC000366101370 386083762 /nfs/dbraw/zinc/08/37/62/386083762.db2.gz APNPHWJKNOHGFK-UHFFFAOYSA-N 0 3 247.386 3.373 20 0 BGADHN COc1cccc(C2=CCN(CCCF)CC2)c1 ZINC000366218287 175249091 /nfs/dbraw/zinc/24/90/91/175249091.db2.gz KVHWIJHYDBPWMZ-UHFFFAOYSA-N 0 3 249.329 3.144 20 0 BGADHN COc1ccc(C2=CCN(CCCF)CC2)cc1 ZINC000366295010 175084949 /nfs/dbraw/zinc/08/49/49/175084949.db2.gz IFZOADCRILJUAG-UHFFFAOYSA-N 0 3 249.329 3.144 20 0 BGADHN Cc1ccc(CN2CCC(C3CC3)CC2)c(C)n1 ZINC000366336442 386367072 /nfs/dbraw/zinc/36/70/72/386367072.db2.gz XILNQCJZYLOMIY-UHFFFAOYSA-N 0 3 244.382 3.320 20 0 BGADHN c1noc(C2CC2)c1CN1CCCC2(CCC2)C1 ZINC000366339850 386374080 /nfs/dbraw/zinc/37/40/80/386374080.db2.gz DFTGSONVXHBYOF-UHFFFAOYSA-N 0 3 246.354 3.318 20 0 BGADHN CCc1noc(C)c1CN1CCCC2(CCC2)C1 ZINC000366341232 172075525 /nfs/dbraw/zinc/07/55/25/172075525.db2.gz JTETYKGUYDUSHF-UHFFFAOYSA-N 0 3 248.370 3.312 20 0 BGADHN Cc1noc(C)c1CN1CCCC2(CCC2)C1 ZINC000366341367 386374700 /nfs/dbraw/zinc/37/47/00/386374700.db2.gz SVAUVPNLGWXETF-UHFFFAOYSA-N 0 3 234.343 3.058 20 0 BGADHN CC(C)(C)CCCN1CCc2ncccc2C1 ZINC000366389443 386457178 /nfs/dbraw/zinc/45/71/78/386457178.db2.gz VQOFBFJJOUKHIA-UHFFFAOYSA-N 0 3 232.371 3.266 20 0 BGADHN CC[C@@]1(C)C[C@H]1C(=O)N1CCCC2(CCC2)C1 ZINC000366393330 171207223 /nfs/dbraw/zinc/20/72/23/171207223.db2.gz QUFDOGYZKWKODD-JSGCOSHPSA-N 0 3 235.371 3.215 20 0 BGADHN FCCNC1CC(c2cccc(Cl)c2)C1 ZINC000366663118 398249193 /nfs/dbraw/zinc/24/91/93/398249193.db2.gz CEBYADBLLQHKJB-UHFFFAOYSA-N 0 3 227.710 3.145 20 0 BGADHN CS[C@@H]1CCCCN(CCC(F)(F)F)C1 ZINC000366667964 386356074 /nfs/dbraw/zinc/35/60/74/386356074.db2.gz FNEPKLFTPRTIKI-SECBINFHSA-N 0 3 241.322 3.156 20 0 BGADHN CS[C@H]1CCCCN(CCC(F)(F)F)C1 ZINC000366667967 386354694 /nfs/dbraw/zinc/35/46/94/386354694.db2.gz FNEPKLFTPRTIKI-VIFPVBQESA-N 0 3 241.322 3.156 20 0 BGADHN COc1ccc(CN2CCC3(CC3)CC2)cc1F ZINC000366669316 386364961 /nfs/dbraw/zinc/36/49/61/386364961.db2.gz GBKSDNVKKWYWLN-UHFFFAOYSA-N 0 3 249.329 3.210 20 0 BGADHN CCCCN1CCC[C@H]1c1nccs1 ZINC000366669615 386361696 /nfs/dbraw/zinc/36/16/96/386361696.db2.gz GQFAWHLOXIAEJJ-JTQLQIEISA-N 0 3 210.346 3.080 20 0 BGADHN CCCCN1CCC[C@@H]1c1nccs1 ZINC000366669619 386361684 /nfs/dbraw/zinc/36/16/84/386361684.db2.gz GQFAWHLOXIAEJJ-SNVBAGLBSA-N 0 3 210.346 3.080 20 0 BGADHN c1cc(CN2C[C@H]3CCCCCC[C@@H]32)ccn1 ZINC000366670571 183347991 /nfs/dbraw/zinc/34/79/91/183347991.db2.gz SMQZFDGMXYMYHB-CABCVRRESA-N 0 3 230.355 3.236 20 0 BGADHN c1cc(CN2C[C@@H]3CCCCCC[C@@H]32)ccn1 ZINC000366670574 183347022 /nfs/dbraw/zinc/34/70/22/183347022.db2.gz SMQZFDGMXYMYHB-GJZGRUSLSA-N 0 3 230.355 3.236 20 0 BGADHN c1cc(CN2C[C@H]3CCCCCC[C@H]32)ccn1 ZINC000366670576 183349068 /nfs/dbraw/zinc/34/90/68/183349068.db2.gz SMQZFDGMXYMYHB-HUUCEWRRSA-N 0 3 230.355 3.236 20 0 BGADHN c1cc(CN2C[C@@H]3CCCCCC[C@H]32)ccn1 ZINC000366670579 183347518 /nfs/dbraw/zinc/34/75/18/183347518.db2.gz SMQZFDGMXYMYHB-LSDHHAIUSA-N 0 3 230.355 3.236 20 0 BGADHN c1csc([C@H]2CCCN2CC2CCCC2)n1 ZINC000366692133 487763273 /nfs/dbraw/zinc/76/32/73/487763273.db2.gz WLOMWEQDJVGQAC-GFCCVEGCSA-N 0 3 236.384 3.470 20 0 BGADHN c1csc([C@@H]2CCCN2CC2CCCC2)n1 ZINC000366692134 487763063 /nfs/dbraw/zinc/76/30/63/487763063.db2.gz WLOMWEQDJVGQAC-LBPRGKRZSA-N 0 3 236.384 3.470 20 0 BGADHN Cc1nnc(CN2CCCC23CCCCCC3)o1 ZINC000366733957 180406416 /nfs/dbraw/zinc/40/64/16/180406416.db2.gz JBKYVGUDKGJVDK-UHFFFAOYSA-N 0 3 249.358 3.067 20 0 BGADHN CCn1ccnc1[C@H]1CCCCN1CC(C)C ZINC000366756854 172230584 /nfs/dbraw/zinc/23/05/84/172230584.db2.gz LUEMCLSXHVNHII-CYBMUJFWSA-N 0 3 235.375 3.086 20 0 BGADHN CCn1ccnc1[C@@H]1CCCCN1CC(C)C ZINC000366756856 172230051 /nfs/dbraw/zinc/23/00/51/172230051.db2.gz LUEMCLSXHVNHII-ZDUSSCGKSA-N 0 3 235.375 3.086 20 0 BGADHN CCCCCN1CCCC[C@H]1c1ccnn1C ZINC000366864791 354251310 /nfs/dbraw/zinc/25/13/10/354251310.db2.gz ATUDBTDNHLYLCY-AWEZNQCLSA-N 0 3 235.375 3.137 20 0 BGADHN CCCCCN1CCCC[C@@H]1c1ccnn1C ZINC000366864792 354251342 /nfs/dbraw/zinc/25/13/42/354251342.db2.gz ATUDBTDNHLYLCY-CQSZACIVSA-N 0 3 235.375 3.137 20 0 BGADHN CCC(=O)CCN1CCC(C)=C(c2ccco2)C1 ZINC000366968167 355204037 /nfs/dbraw/zinc/20/40/37/355204037.db2.gz CCSNISKQRMHAHA-UHFFFAOYSA-N 0 3 247.338 3.128 20 0 BGADHN CC1=C(c2ccco2)CN(C(C)C)CC1 ZINC000366970861 386224406 /nfs/dbraw/zinc/22/44/06/386224406.db2.gz VHPRZCVBWANVGU-UHFFFAOYSA-N 0 3 205.301 3.167 20 0 BGADHN c1noc(C2CC2)c1CN1C[C@@H]2CCCCC[C@H]21 ZINC000367006380 136003449 /nfs/dbraw/zinc/00/34/49/136003449.db2.gz BRLUDPDRBJUMPZ-GXTWGEPZSA-N 0 3 246.354 3.317 20 0 BGADHN c1noc(C2CC2)c1CN1C[C@@H]2CCCCC[C@@H]21 ZINC000367006381 136003684 /nfs/dbraw/zinc/00/36/84/136003684.db2.gz BRLUDPDRBJUMPZ-JSGCOSHPSA-N 0 3 246.354 3.317 20 0 BGADHN c1noc(C2CC2)c1CN1C[C@H]2CCCCC[C@@H]21 ZINC000367006382 136003679 /nfs/dbraw/zinc/00/36/79/136003679.db2.gz BRLUDPDRBJUMPZ-OCCSQVGLSA-N 0 3 246.354 3.317 20 0 BGADHN c1noc(C2CC2)c1CN1C[C@H]2CCCCC[C@H]21 ZINC000367006383 136003801 /nfs/dbraw/zinc/00/38/01/136003801.db2.gz BRLUDPDRBJUMPZ-TZMCWYRMSA-N 0 3 246.354 3.317 20 0 BGADHN c1noc(C2CC2)c1CN1CCC2(CCCC2)C1 ZINC000367014531 136016829 /nfs/dbraw/zinc/01/68/29/136016829.db2.gz WNXJWYFZFKDFNU-UHFFFAOYSA-N 0 3 246.354 3.318 20 0 BGADHN CC1(C)CN(CCCCCF)[C@@H]2CCC[C@H]2O1 ZINC000367054556 136116347 /nfs/dbraw/zinc/11/63/47/136116347.db2.gz KGKHJRFOHLPGQD-CHWSQXEVSA-N 0 3 243.366 3.158 20 0 BGADHN C[C@H](c1ccc(F)cc1)N1CCC2(CCO2)CC1 ZINC000367080043 136331452 /nfs/dbraw/zinc/33/14/52/136331452.db2.gz XZYMOQCGXUTMEP-GFCCVEGCSA-N 0 3 249.329 3.142 20 0 BGADHN C[C@@H](c1ccc(F)cc1)N1CCC2(CCO2)CC1 ZINC000367080045 136331485 /nfs/dbraw/zinc/33/14/85/136331485.db2.gz XZYMOQCGXUTMEP-LBPRGKRZSA-N 0 3 249.329 3.142 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CCO[C@@H]2C2CC2)oc1C ZINC000367080079 136331222 /nfs/dbraw/zinc/33/12/22/136331222.db2.gz JGPWOTHPIMLQBT-PSOPSSQASA-N 0 3 249.354 3.115 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2CCO[C@@H]2C2CC2)oc1C ZINC000367080080 136331294 /nfs/dbraw/zinc/33/12/94/136331294.db2.gz JGPWOTHPIMLQBT-VZJVUDMVSA-N 0 3 249.354 3.115 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2CCO[C@H]2C2CC2)oc1C ZINC000367080081 136331350 /nfs/dbraw/zinc/33/13/50/136331350.db2.gz JGPWOTHPIMLQBT-XEGUGMAKSA-N 0 3 249.354 3.115 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CCO[C@H]2C2CC2)oc1C ZINC000367080082 136331550 /nfs/dbraw/zinc/33/15/50/136331550.db2.gz JGPWOTHPIMLQBT-ZBINZKHDSA-N 0 3 249.354 3.115 20 0 BGADHN C[C@H](c1ccccc1F)N1CCC2(CCO2)CC1 ZINC000367098036 386892196 /nfs/dbraw/zinc/89/21/96/386892196.db2.gz DOPNQBPIKWUVRN-GFCCVEGCSA-N 0 3 249.329 3.142 20 0 BGADHN C[C@@H](c1ccccc1F)N1CCC2(CCO2)CC1 ZINC000367098037 386892456 /nfs/dbraw/zinc/89/24/56/386892456.db2.gz DOPNQBPIKWUVRN-LBPRGKRZSA-N 0 3 249.329 3.142 20 0 BGADHN C[C@H](c1cccc(F)c1)N1CCC2(CCO2)CC1 ZINC000367102316 355573149 /nfs/dbraw/zinc/57/31/49/355573149.db2.gz VNNKADJCDYUOMO-GFCCVEGCSA-N 0 3 249.329 3.142 20 0 BGADHN C[C@@H](c1cccc(F)c1)N1CCC2(CCO2)CC1 ZINC000367102317 355573562 /nfs/dbraw/zinc/57/35/62/355573562.db2.gz VNNKADJCDYUOMO-LBPRGKRZSA-N 0 3 249.329 3.142 20 0 BGADHN C[C@@H](F)CCN1CCC=C(c2ccco2)C1 ZINC000367133306 387416681 /nfs/dbraw/zinc/41/66/81/387416681.db2.gz LJUCXPZZCKLZNS-LLVKDONJSA-N 0 3 223.291 3.117 20 0 BGADHN C[C@H](F)CCN1CCC=C(c2ccco2)C1 ZINC000367133307 387416082 /nfs/dbraw/zinc/41/60/82/387416082.db2.gz LJUCXPZZCKLZNS-NSHDSACASA-N 0 3 223.291 3.117 20 0 BGADHN Cc1cccc([C@@H]2CCCN2CCCCF)n1 ZINC000367156060 179189951 /nfs/dbraw/zinc/18/99/51/179189951.db2.gz IZOXZTJESBLWRU-AWEZNQCLSA-N 0 3 236.334 3.277 20 0 BGADHN Cc1cccc([C@H]2CCCN2CCCCF)n1 ZINC000367156061 179203426 /nfs/dbraw/zinc/20/34/26/179203426.db2.gz IZOXZTJESBLWRU-CQSZACIVSA-N 0 3 236.334 3.277 20 0 BGADHN Cc1cccc([C@H]2CCCN2CC[C@@H](C)F)n1 ZINC000367159865 179203572 /nfs/dbraw/zinc/20/35/72/179203572.db2.gz XZUFPGTZYIMPED-BXUZGUMPSA-N 0 3 236.334 3.275 20 0 BGADHN Cc1cccc([C@@H]2CCCN2CC[C@H](C)F)n1 ZINC000367159866 179190088 /nfs/dbraw/zinc/19/00/88/179190088.db2.gz XZUFPGTZYIMPED-FZMZJTMJSA-N 0 3 236.334 3.275 20 0 BGADHN Cc1cccc([C@@H]2CCCN2CC[C@@H](C)F)n1 ZINC000367159867 179189961 /nfs/dbraw/zinc/18/99/61/179189961.db2.gz XZUFPGTZYIMPED-RISCZKNCSA-N 0 3 236.334 3.275 20 0 BGADHN Cc1cccc([C@H]2CCCN2CC[C@H](C)F)n1 ZINC000367159868 179203060 /nfs/dbraw/zinc/20/30/60/179203060.db2.gz XZUFPGTZYIMPED-SMDDNHRTSA-N 0 3 236.334 3.275 20 0 BGADHN Fc1cccc2c1[C@H](N[C@H]1CCC[C@H]3C[C@H]31)CO2 ZINC000367178148 181008016 /nfs/dbraw/zinc/00/80/16/181008016.db2.gz HBJUNBBNUMXODT-JULQROHOSA-N 0 3 247.313 3.037 20 0 BGADHN Fc1cccc2c1[C@@H](N[C@H]1CCC[C@H]3C[C@H]31)CO2 ZINC000367178149 181006442 /nfs/dbraw/zinc/00/64/42/181006442.db2.gz HBJUNBBNUMXODT-LFSVMHDDSA-N 0 3 247.313 3.037 20 0 BGADHN Fc1cccc2c1[C@H](N[C@@H]1CCC[C@H]3C[C@H]31)CO2 ZINC000367178150 181008460 /nfs/dbraw/zinc/00/84/60/181008460.db2.gz HBJUNBBNUMXODT-XKAARJIMSA-N 0 3 247.313 3.037 20 0 BGADHN Fc1cccc2c1[C@@H](N[C@@H]1CCC[C@H]3C[C@H]31)CO2 ZINC000367178151 181007136 /nfs/dbraw/zinc/00/71/36/181007136.db2.gz HBJUNBBNUMXODT-YGNMPJRFSA-N 0 3 247.313 3.037 20 0 BGADHN FCCCCN1CCC[C@@H](c2nccs2)C1 ZINC000367216108 180925421 /nfs/dbraw/zinc/92/54/21/180925421.db2.gz ABOKPNCUADWNSN-LLVKDONJSA-N 0 3 242.363 3.072 20 0 BGADHN FCCCCN1CCC[C@H](c2nccs2)C1 ZINC000367216109 387591149 /nfs/dbraw/zinc/59/11/49/387591149.db2.gz ABOKPNCUADWNSN-NSHDSACASA-N 0 3 242.363 3.072 20 0 BGADHN CC1=C(c2ccco2)CN(CCCF)CC1 ZINC000367223437 168088128 /nfs/dbraw/zinc/08/81/28/168088128.db2.gz HBRJMORLFMBWJU-UHFFFAOYSA-N 0 3 223.291 3.118 20 0 BGADHN FCCCCCN1CC=C(c2cccnc2)CC1 ZINC000367459418 386662683 /nfs/dbraw/zinc/66/26/83/386662683.db2.gz SWRPEPBMHIYVNP-UHFFFAOYSA-N 0 3 248.345 3.311 20 0 BGADHN Cc1ccncc1CN1CCC2(CCC2)CC1 ZINC000367517645 387721607 /nfs/dbraw/zinc/72/16/07/387721607.db2.gz CUWYOJGTYXKCRX-UHFFFAOYSA-N 0 3 230.355 3.156 20 0 BGADHN C[C@@H](F)CCN1Cc2ccccc2C2(CC2)C1 ZINC000367526610 387721388 /nfs/dbraw/zinc/72/13/88/387721388.db2.gz WSRSBTHDCZQXMQ-GFCCVEGCSA-N 0 3 233.330 3.282 20 0 BGADHN C[C@H](F)CCN1Cc2ccccc2C2(CC2)C1 ZINC000367526611 387721404 /nfs/dbraw/zinc/72/14/04/387721404.db2.gz WSRSBTHDCZQXMQ-LBPRGKRZSA-N 0 3 233.330 3.282 20 0 BGADHN FCCCCN1Cc2ccccc2C2(CC2)C1 ZINC000367526858 387721280 /nfs/dbraw/zinc/72/12/80/387721280.db2.gz XXAUEVAKGKWJCK-UHFFFAOYSA-N 0 3 233.330 3.284 20 0 BGADHN c1csc(CN2[C@H]3C=CC[C@@H]2CC3)c1 ZINC000367536019 387721814 /nfs/dbraw/zinc/72/18/14/387721814.db2.gz OLIHUMILMSBCHW-WDEREUQCSA-N 0 3 205.326 3.041 20 0 BGADHN C[C@@H](N[C@@H](c1ncc[nH]1)C1CCCCC1)C1CC1 ZINC000367538161 387720827 /nfs/dbraw/zinc/72/08/27/387720827.db2.gz LZNOOXNBYUOBIA-BXUZGUMPSA-N 0 3 247.386 3.419 20 0 BGADHN C[C@H](N[C@H](c1ncc[nH]1)C1CCCCC1)C1CC1 ZINC000367538162 387720717 /nfs/dbraw/zinc/72/07/17/387720717.db2.gz LZNOOXNBYUOBIA-FZMZJTMJSA-N 0 3 247.386 3.419 20 0 BGADHN C[C@@H](N[C@H](c1ncc[nH]1)C1CCCCC1)C1CC1 ZINC000367538163 387720951 /nfs/dbraw/zinc/72/09/51/387720951.db2.gz LZNOOXNBYUOBIA-RISCZKNCSA-N 0 3 247.386 3.419 20 0 BGADHN C[C@H](N[C@@H](c1ncc[nH]1)C1CCCCC1)C1CC1 ZINC000367538164 384328030 /nfs/dbraw/zinc/32/80/30/384328030.db2.gz LZNOOXNBYUOBIA-SMDDNHRTSA-N 0 3 247.386 3.419 20 0 BGADHN C[C@H](F)CCN1CCC(c2nccs2)CC1 ZINC000367553266 385097315 /nfs/dbraw/zinc/09/73/15/385097315.db2.gz MQIQAZFCWCLIQS-JTQLQIEISA-N 0 3 242.363 3.071 20 0 BGADHN C[C@@H](F)CCN1CCC(c2nccs2)CC1 ZINC000367553267 385098057 /nfs/dbraw/zinc/09/80/57/385098057.db2.gz MQIQAZFCWCLIQS-SNVBAGLBSA-N 0 3 242.363 3.071 20 0 BGADHN Cc1csc2c1CN(CCCCF)CC2 ZINC000367560003 387727453 /nfs/dbraw/zinc/72/74/53/387727453.db2.gz SAWMJICWQLNDEV-UHFFFAOYSA-N 0 3 227.348 3.164 20 0 BGADHN FCCCCN1CCS[C@H]2CCCC[C@H]21 ZINC000367560102 387726989 /nfs/dbraw/zinc/72/69/89/387726989.db2.gz TXBFBDJELJAXFG-NEPJUHHUSA-N 0 3 231.380 3.096 20 0 BGADHN FCCCCN1CCS[C@@H]2CCCC[C@@H]21 ZINC000367560103 387727763 /nfs/dbraw/zinc/72/77/63/387727763.db2.gz TXBFBDJELJAXFG-NWDGAFQWSA-N 0 3 231.380 3.096 20 0 BGADHN FCCCCN1CCS[C@H]2CCCC[C@@H]21 ZINC000367560104 387726766 /nfs/dbraw/zinc/72/67/66/387726766.db2.gz TXBFBDJELJAXFG-RYUDHWBXSA-N 0 3 231.380 3.096 20 0 BGADHN FCCCCN1CCS[C@@H]2CCCC[C@H]21 ZINC000367560105 387728257 /nfs/dbraw/zinc/72/82/57/387728257.db2.gz TXBFBDJELJAXFG-VXGBXAGGSA-N 0 3 231.380 3.096 20 0 BGADHN Cc1csc2c1CN(CC[C@H](C)F)CC2 ZINC000367560345 387726552 /nfs/dbraw/zinc/72/65/52/387726552.db2.gz WFBNWNLYBSCRBS-JTQLQIEISA-N 0 3 227.348 3.163 20 0 BGADHN Cc1csc2c1CN(CC[C@@H](C)F)CC2 ZINC000367560346 387728787 /nfs/dbraw/zinc/72/87/87/387728787.db2.gz WFBNWNLYBSCRBS-SNVBAGLBSA-N 0 3 227.348 3.163 20 0 BGADHN C[C@H](N[C@H]1c2ccc(F)cc2O[C@@H]1C)C1CC1 ZINC000367575855 387728893 /nfs/dbraw/zinc/72/88/93/387728893.db2.gz MOXGZBZBNWBCOO-ATEUNZGCSA-N 0 3 235.302 3.036 20 0 BGADHN C[C@H](N[C@@H]1c2ccc(F)cc2O[C@H]1C)C1CC1 ZINC000367575856 387728873 /nfs/dbraw/zinc/72/88/73/387728873.db2.gz MOXGZBZBNWBCOO-FZNYLWTLSA-N 0 3 235.302 3.036 20 0 BGADHN C[C@H](N[C@@H]1c2ccc(F)cc2O[C@@H]1C)C1CC1 ZINC000367575857 187221383 /nfs/dbraw/zinc/22/13/83/187221383.db2.gz MOXGZBZBNWBCOO-QIBSRJKCSA-N 0 3 235.302 3.036 20 0 BGADHN C[C@H](N[C@H]1c2ccc(F)cc2O[C@H]1C)C1CC1 ZINC000367575858 387727173 /nfs/dbraw/zinc/72/71/73/387727173.db2.gz MOXGZBZBNWBCOO-UINNMSKDSA-N 0 3 235.302 3.036 20 0 BGADHN Cc1noc(C)c1CN1CCC2(CCC2)CC1 ZINC000367583983 384746418 /nfs/dbraw/zinc/74/64/18/384746418.db2.gz GWUANFXIEZWGSU-UHFFFAOYSA-N 0 3 234.343 3.058 20 0 BGADHN CC(C)n1ccc(CN2CCC3(CCC3)CC2)n1 ZINC000367584205 387731366 /nfs/dbraw/zinc/73/13/66/387731366.db2.gz IQZXYQHMCNAVLY-UHFFFAOYSA-N 0 3 247.386 3.230 20 0 BGADHN C[C@H](c1cccnc1)N1CCC2(CCC2)CC1 ZINC000367599997 177044768 /nfs/dbraw/zinc/04/47/68/177044768.db2.gz YUBPOTJEAHAAKS-CYBMUJFWSA-N 0 3 230.355 3.409 20 0 BGADHN C[C@@H](c1cccnc1)N1CCC2(CCC2)CC1 ZINC000367599998 176029500 /nfs/dbraw/zinc/02/95/00/176029500.db2.gz YUBPOTJEAHAAKS-ZDUSSCGKSA-N 0 3 230.355 3.409 20 0 BGADHN c1noc(C2CC2)c1CN1CCC2(CCC2)CC1 ZINC000367606358 387734346 /nfs/dbraw/zinc/73/43/46/387734346.db2.gz WJAXUPDPNOLCLI-UHFFFAOYSA-N 0 3 246.354 3.318 20 0 BGADHN c1c[nH]c([C@H](NC2CCC2)C2CCCCC2)n1 ZINC000367615487 183326781 /nfs/dbraw/zinc/32/67/81/183326781.db2.gz KXTQZOTUROVMJC-CYBMUJFWSA-N 0 3 233.359 3.173 20 0 BGADHN c1c[nH]c([C@@H](NC2CCC2)C2CCCCC2)n1 ZINC000367615488 183326432 /nfs/dbraw/zinc/32/64/32/183326432.db2.gz KXTQZOTUROVMJC-ZDUSSCGKSA-N 0 3 233.359 3.173 20 0 BGADHN CCCCN[C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000367621368 385742332 /nfs/dbraw/zinc/74/23/32/385742332.db2.gz SKVKIXQPVQYNKX-CYBMUJFWSA-N 0 3 235.375 3.421 20 0 BGADHN CCCCN[C@H](c1ncc[nH]1)C1CCCCC1 ZINC000367621369 385742033 /nfs/dbraw/zinc/74/20/33/385742033.db2.gz SKVKIXQPVQYNKX-ZDUSSCGKSA-N 0 3 235.375 3.421 20 0 BGADHN Cc1ccc(CN2CCC3(CCC3)CC2)c(C)n1 ZINC000367623668 385792829 /nfs/dbraw/zinc/79/28/29/385792829.db2.gz IKWBMXKLLUZTLL-UHFFFAOYSA-N 0 3 244.382 3.465 20 0 BGADHN CC(C)CN[C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000367624044 167011884 /nfs/dbraw/zinc/01/18/84/167011884.db2.gz VUPRKQASCRUUBI-CYBMUJFWSA-N 0 3 235.375 3.277 20 0 BGADHN CC(C)CN[C@H](c1ncc[nH]1)C1CCCCC1 ZINC000367624045 167014764 /nfs/dbraw/zinc/01/47/64/167014764.db2.gz VUPRKQASCRUUBI-ZDUSSCGKSA-N 0 3 235.375 3.277 20 0 BGADHN C[C@H](N[C@@H]1C[C@@H]1C1CCCCC1)c1ncc[nH]1 ZINC000367625332 385804032 /nfs/dbraw/zinc/80/40/32/385804032.db2.gz LFUVROZUCSEVQH-CYZMBNFOSA-N 0 3 233.359 3.029 20 0 BGADHN C[C@H](N[C@H]1C[C@H]1C1CCCCC1)c1ncc[nH]1 ZINC000367625333 385804691 /nfs/dbraw/zinc/80/46/91/385804691.db2.gz LFUVROZUCSEVQH-DRZSPHRISA-N 0 3 233.359 3.029 20 0 BGADHN C[C@H](N[C@H]1C[C@@H]1C1CCCCC1)c1ncc[nH]1 ZINC000367625334 176930182 /nfs/dbraw/zinc/93/01/82/176930182.db2.gz LFUVROZUCSEVQH-UHTWSYAYSA-N 0 3 233.359 3.029 20 0 BGADHN C[C@H](N[C@@H]1C[C@H]1C1CCCCC1)c1ncc[nH]1 ZINC000367625335 385803772 /nfs/dbraw/zinc/80/37/72/385803772.db2.gz LFUVROZUCSEVQH-WCFLWFBJSA-N 0 3 233.359 3.029 20 0 BGADHN c1c[nH]c([C@H](NCC2CC2)C2CCCCC2)n1 ZINC000367630933 183326648 /nfs/dbraw/zinc/32/66/48/183326648.db2.gz DHEUHHLCTAPAGS-CYBMUJFWSA-N 0 3 233.359 3.031 20 0 BGADHN c1c[nH]c([C@@H](NCC2CC2)C2CCCCC2)n1 ZINC000367630936 183327655 /nfs/dbraw/zinc/32/76/55/183327655.db2.gz DHEUHHLCTAPAGS-ZDUSSCGKSA-N 0 3 233.359 3.031 20 0 BGADHN Oc1cccc(CN2CCC3(CCC3)CC2)c1 ZINC000367684229 183288976 /nfs/dbraw/zinc/28/89/76/183288976.db2.gz HGDCUBSLNWMOCS-UHFFFAOYSA-N 0 3 231.339 3.158 20 0 BGADHN C/C(=C\c1ccccc1)CN1CCOCC[C@H]1C ZINC000367701194 187317015 /nfs/dbraw/zinc/31/70/15/187317015.db2.gz FSZVZSJHHVMXNV-OKFGHLOFSA-N 0 3 245.366 3.201 20 0 BGADHN C/C(=C\c1ccccc1)CN1CCOCC[C@@H]1C ZINC000367701195 188006324 /nfs/dbraw/zinc/00/63/24/188006324.db2.gz FSZVZSJHHVMXNV-ZQHYZAEZSA-N 0 3 245.366 3.201 20 0 BGADHN C[C@@H]1CCOCCN1Cc1ccc2occc2c1 ZINC000367709031 176190100 /nfs/dbraw/zinc/19/01/00/176190100.db2.gz SHWVWXOLOAYPTQ-GFCCVEGCSA-N 0 3 245.322 3.044 20 0 BGADHN C[C@H]1CCOCCN1Cc1ccc2occc2c1 ZINC000367709032 177177403 /nfs/dbraw/zinc/17/74/03/177177403.db2.gz SHWVWXOLOAYPTQ-LBPRGKRZSA-N 0 3 245.322 3.044 20 0 BGADHN C[C@@H](F)CCN1Cc2ccccc2O[C@@H](C)C1 ZINC000367769267 177254841 /nfs/dbraw/zinc/25/48/41/177254841.db2.gz DDNYCASHTYMDOZ-NEPJUHHUSA-N 0 3 237.318 3.018 20 0 BGADHN C[C@H](F)CCN1Cc2ccccc2O[C@H](C)C1 ZINC000367769268 386010437 /nfs/dbraw/zinc/01/04/37/386010437.db2.gz DDNYCASHTYMDOZ-NWDGAFQWSA-N 0 3 237.318 3.018 20 0 BGADHN C[C@H](F)CCN1Cc2ccccc2O[C@@H](C)C1 ZINC000367769270 386010549 /nfs/dbraw/zinc/01/05/49/386010549.db2.gz DDNYCASHTYMDOZ-RYUDHWBXSA-N 0 3 237.318 3.018 20 0 BGADHN C[C@@H](F)CCN1Cc2ccccc2O[C@H](C)C1 ZINC000367769271 386010861 /nfs/dbraw/zinc/01/08/61/386010861.db2.gz DDNYCASHTYMDOZ-VXGBXAGGSA-N 0 3 237.318 3.018 20 0 BGADHN C[C@@H]1CCCN1c1ccncc1-c1cccnc1 ZINC000367836145 176111287 /nfs/dbraw/zinc/11/12/87/176111287.db2.gz MWSZKAUHIQJGGN-GFCCVEGCSA-N 0 3 239.322 3.132 20 0 BGADHN C[C@H]1CCCN1c1ccncc1-c1cccnc1 ZINC000367836146 177112156 /nfs/dbraw/zinc/11/21/56/177112156.db2.gz MWSZKAUHIQJGGN-LBPRGKRZSA-N 0 3 239.322 3.132 20 0 BGADHN CC(C)C[C@@H](C)CN1CCc2ncccc2C1 ZINC000367871351 188427743 /nfs/dbraw/zinc/42/77/43/188427743.db2.gz CQJKXDWKROGJAP-CYBMUJFWSA-N 0 3 232.371 3.122 20 0 BGADHN CC(C)C[C@H](C)CN1CCc2ncccc2C1 ZINC000367871352 188246915 /nfs/dbraw/zinc/24/69/15/188246915.db2.gz CQJKXDWKROGJAP-ZDUSSCGKSA-N 0 3 232.371 3.122 20 0 BGADHN COc1ccccc1CN1C[C@H]2CCCC[C@H]21 ZINC000367955570 175328607 /nfs/dbraw/zinc/32/86/07/175328607.db2.gz JKQFKZYWRDZKBH-TZMCWYRMSA-N 0 3 231.339 3.070 20 0 BGADHN Cc1nn(C(C)C)cc1CN1C[C@H]2CCCC[C@H]21 ZINC000367955655 385169866 /nfs/dbraw/zinc/16/98/66/385169866.db2.gz KFPLCRYKGIBXMU-UKRRQHHQSA-N 0 3 247.386 3.147 20 0 BGADHN CCC(CC)CNCc1noc2c1CCCC2 ZINC000367955904 168363209 /nfs/dbraw/zinc/36/32/09/168363209.db2.gz AQLCBIDBHIFGHN-UHFFFAOYSA-N 0 3 236.359 3.079 20 0 BGADHN c1cc(CN2C[C@H]3CCCC[C@H]32)cs1 ZINC000367971679 183348582 /nfs/dbraw/zinc/34/85/82/183348582.db2.gz DJUFXKVZCAOBMT-VXGBXAGGSA-N 0 3 207.342 3.123 20 0 BGADHN Cc1cc([C@H](C)NCC23CCC(CC2)C3)no1 ZINC000367979503 178246837 /nfs/dbraw/zinc/24/68/37/178246837.db2.gz YFVRIXMUOAYADV-DCBWTQNWSA-N 0 3 234.343 3.214 20 0 BGADHN Cc1cc([C@@H](C)NCC23CCC(CC2)C3)no1 ZINC000367979505 178223523 /nfs/dbraw/zinc/22/35/23/178223523.db2.gz YFVRIXMUOAYADV-LKSINWNRSA-N 0 3 234.343 3.214 20 0 BGADHN COCc1cccc(CN2C[C@H]3CCCC[C@H]32)c1 ZINC000368012804 386928999 /nfs/dbraw/zinc/92/89/99/386928999.db2.gz XONWZIPCOPTJME-HZPDHXFCSA-N 0 3 245.366 3.207 20 0 BGADHN c1coc(CN2CCC3(CCC3)CC2)c1 ZINC000368041263 386933148 /nfs/dbraw/zinc/93/31/48/386933148.db2.gz UCWDNJFKWYYLHH-UHFFFAOYSA-N 0 3 205.301 3.046 20 0 BGADHN CC1(C)CN(CCCCCF)[C@@H]1[C@H]1CCCO1 ZINC000368071789 386932594 /nfs/dbraw/zinc/93/25/94/386932594.db2.gz HTMAGHJOTGIIOX-CHWSQXEVSA-N 0 3 243.366 3.016 20 0 BGADHN CC1(C)CN(CCCCCF)[C@H]1[C@H]1CCCO1 ZINC000368071790 386933213 /nfs/dbraw/zinc/93/32/13/386933213.db2.gz HTMAGHJOTGIIOX-OLZOCXBDSA-N 0 3 243.366 3.016 20 0 BGADHN CC1(C)CN(CCCCCF)[C@@H]1[C@@H]1CCCO1 ZINC000368071791 188072202 /nfs/dbraw/zinc/07/22/02/188072202.db2.gz HTMAGHJOTGIIOX-QWHCGFSZSA-N 0 3 243.366 3.016 20 0 BGADHN CC1(C)CN(CCCCCF)[C@H]1[C@@H]1CCCO1 ZINC000368071792 188073187 /nfs/dbraw/zinc/07/31/87/188073187.db2.gz HTMAGHJOTGIIOX-STQMWFEESA-N 0 3 243.366 3.016 20 0 BGADHN COc1cccc(CN2C[C@H]3CCCC[C@H]32)c1 ZINC000368093961 344552182 /nfs/dbraw/zinc/55/21/82/344552182.db2.gz NNYMPBFPCILMJR-UKRRQHHQSA-N 0 3 231.339 3.070 20 0 BGADHN COc1ccc(CN2C[C@H]3CCCC[C@H]32)cc1 ZINC000368094802 188246329 /nfs/dbraw/zinc/24/63/29/188246329.db2.gz ZDCMBUVVLKCDIM-UKRRQHHQSA-N 0 3 231.339 3.070 20 0 BGADHN C[C@@H](c1cccnc1)N1C[C@H]2CCCC[C@H]21 ZINC000368096297 176030947 /nfs/dbraw/zinc/03/09/47/176030947.db2.gz VPJWNYUMAUKHEL-IACUBPJLSA-N 0 3 216.328 3.017 20 0 BGADHN C[C@H](c1cccnc1)N1C[C@H]2CCCC[C@H]21 ZINC000368096298 177046408 /nfs/dbraw/zinc/04/64/08/177046408.db2.gz VPJWNYUMAUKHEL-MRVWCRGKSA-N 0 3 216.328 3.017 20 0 BGADHN CCCC[C@@H](C)NCc1noc2c1CCCC2 ZINC000368143642 356966830 /nfs/dbraw/zinc/96/68/30/356966830.db2.gz SJVOSYKJIZKYTG-LLVKDONJSA-N 0 3 236.359 3.222 20 0 BGADHN CCCC[C@H](C)NCc1noc2c1CCCC2 ZINC000368143643 356966816 /nfs/dbraw/zinc/96/68/16/356966816.db2.gz SJVOSYKJIZKYTG-NSHDSACASA-N 0 3 236.359 3.222 20 0 BGADHN Cc1c[nH]nc1CN1CCC2(C1)CCCCCC2 ZINC000368220380 386950589 /nfs/dbraw/zinc/95/05/89/386950589.db2.gz FUDUYFZDOCXCBR-UHFFFAOYSA-N 0 3 247.386 3.264 20 0 BGADHN CC(C)(C)c1n[nH]cc1CN1C[C@H]2CCCC[C@H]21 ZINC000368222580 386952938 /nfs/dbraw/zinc/95/29/38/386952938.db2.gz HTPXMEIHERPMRN-DGCLKSJQSA-N 0 3 247.386 3.082 20 0 BGADHN Cc1c[nH]nc1CN1CCC2(C1)CCC(C)CC2 ZINC000368224015 386953158 /nfs/dbraw/zinc/95/31/58/386953158.db2.gz CWMKNPABZSUDNF-UHFFFAOYSA-N 0 3 247.386 3.120 20 0 BGADHN O[C@@H]1CCN([C@@H]2C=CCCC2)Cc2ccccc21 ZINC000368224127 183199829 /nfs/dbraw/zinc/19/98/29/183199829.db2.gz SGMOSYDIJKPHEC-GDBMZVCRSA-N 0 3 243.350 3.034 20 0 BGADHN O[C@@H]1CCN([C@H]2C=CCCC2)Cc2ccccc21 ZINC000368224133 183200964 /nfs/dbraw/zinc/20/09/64/183200964.db2.gz SGMOSYDIJKPHEC-GOEBONIOSA-N 0 3 243.350 3.034 20 0 BGADHN O[C@H]1CCN([C@H]2C=CCCC2)Cc2ccccc21 ZINC000368224135 183239687 /nfs/dbraw/zinc/23/96/87/183239687.db2.gz SGMOSYDIJKPHEC-HOCLYGCPSA-N 0 3 243.350 3.034 20 0 BGADHN O[C@H]1CCN([C@@H]2C=CCCC2)Cc2ccccc21 ZINC000368224136 183240485 /nfs/dbraw/zinc/24/04/85/183240485.db2.gz SGMOSYDIJKPHEC-ZBFHGGJFSA-N 0 3 243.350 3.034 20 0 BGADHN O=C(CCN1C[C@H]2CCCC[C@H]21)c1ccccc1 ZINC000368240894 386953169 /nfs/dbraw/zinc/95/31/69/386953169.db2.gz JTRREEAMHMRXJU-HUUCEWRRSA-N 0 3 243.350 3.134 20 0 BGADHN c1cnc2c(c1)CN(CCC1CCCC1)CC2 ZINC000368325950 386960505 /nfs/dbraw/zinc/96/05/05/386960505.db2.gz BMMAGCLDNRCMMG-UHFFFAOYSA-N 0 3 230.355 3.020 20 0 BGADHN CCc1noc(C)c1CN1CCC(C2CC2)CC1 ZINC000368325952 172076438 /nfs/dbraw/zinc/07/64/38/172076438.db2.gz BNECWIQDIWINCT-UHFFFAOYSA-N 0 3 248.370 3.167 20 0 BGADHN CC(C)n1nccc1CN1CCC(C2CC2)CC1 ZINC000368326358 398343453 /nfs/dbraw/zinc/34/34/53/398343453.db2.gz CSBHVEIVFPKEPK-UHFFFAOYSA-N 0 3 247.386 3.086 20 0 BGADHN C[C@H](c1cccnc1)N1CCC(C2CC2)CC1 ZINC000368326874 177045372 /nfs/dbraw/zinc/04/53/72/177045372.db2.gz DTVRRLVUUDUUHB-GFCCVEGCSA-N 0 3 230.355 3.265 20 0 BGADHN C[C@@H](c1cccnc1)N1CCC(C2CC2)CC1 ZINC000368326877 176028902 /nfs/dbraw/zinc/02/89/02/176028902.db2.gz DTVRRLVUUDUUHB-LBPRGKRZSA-N 0 3 230.355 3.265 20 0 BGADHN Cc1cccnc1CN1CCC(C2CC2)CC1 ZINC000368330576 179371991 /nfs/dbraw/zinc/37/19/91/179371991.db2.gz MGZODOVPYWCAQD-UHFFFAOYSA-N 0 3 230.355 3.012 20 0 BGADHN Cc1ncc(CN2CCC(C3CC3)CC2)s1 ZINC000368332426 180141186 /nfs/dbraw/zinc/14/11/86/180141186.db2.gz QETDMEBYJTZMPF-UHFFFAOYSA-N 0 3 236.384 3.074 20 0 BGADHN Cc1ncccc1CN1CCC(C2CC2)CC1 ZINC000368335958 180219222 /nfs/dbraw/zinc/21/92/22/180219222.db2.gz JUPWXXBPFAWROP-UHFFFAOYSA-N 0 3 230.355 3.012 20 0 BGADHN Cc1cncc(CN2CCC(C3CC3)CC2)c1 ZINC000368336424 386963809 /nfs/dbraw/zinc/96/38/09/386963809.db2.gz NOKOOBCJZXKMSZ-UHFFFAOYSA-N 0 3 230.355 3.012 20 0 BGADHN Cc1ccncc1CN1CCC(C2CC2)CC1 ZINC000368336476 386963210 /nfs/dbraw/zinc/96/32/10/386963210.db2.gz ODLDVEVVSLKKAQ-UHFFFAOYSA-N 0 3 230.355 3.012 20 0 BGADHN c1noc(C2CC2)c1CN1CCC(C2CC2)CC1 ZINC000368341259 386962952 /nfs/dbraw/zinc/96/29/52/386962952.db2.gz XJXQCNCRQLYGCP-UHFFFAOYSA-N 0 3 246.354 3.174 20 0 BGADHN c1cc(CN2CCC3(C2)CCCCCC3)on1 ZINC000368398147 183340244 /nfs/dbraw/zinc/34/02/44/183340244.db2.gz RHAIPAZSKFGTKH-UHFFFAOYSA-N 0 3 234.343 3.221 20 0 BGADHN c1cc(CN2CCCC23CCCCCC3)no1 ZINC000368402490 183341069 /nfs/dbraw/zinc/34/10/69/183341069.db2.gz LRBBEONQGBSBKV-UHFFFAOYSA-N 0 3 234.343 3.363 20 0 BGADHN CC(=O)CCN1CC=C(c2ccccc2C)CC1 ZINC000368432906 187384203 /nfs/dbraw/zinc/38/42/03/187384203.db2.gz KQFGLBYIANQGAO-UHFFFAOYSA-N 0 3 243.350 3.063 20 0 BGADHN C[C@H](N[C@H]1COc2cccc(F)c21)C1CCC1 ZINC000368435513 384509914 /nfs/dbraw/zinc/50/99/14/384509914.db2.gz SJISLXTWNHFKEE-CABZTGNLSA-N 0 3 235.302 3.037 20 0 BGADHN C[C@H](N[C@@H]1COc2cccc(F)c21)C1CCC1 ZINC000368435514 384509956 /nfs/dbraw/zinc/50/99/56/384509956.db2.gz SJISLXTWNHFKEE-JOYOIKCWSA-N 0 3 235.302 3.037 20 0 BGADHN C[C@@H](N[C@H]1COc2cccc(F)c21)C1CCC1 ZINC000368435515 384510897 /nfs/dbraw/zinc/51/08/97/384510897.db2.gz SJISLXTWNHFKEE-SKDRFNHKSA-N 0 3 235.302 3.037 20 0 BGADHN CC(C)n1cc(CN2CCC23CCCCC3)cn1 ZINC000368469256 386976808 /nfs/dbraw/zinc/97/68/08/386976808.db2.gz HNWDEPLEEILCDX-UHFFFAOYSA-N 0 3 247.386 3.373 20 0 BGADHN Fc1ccc(CN2CCC23CCCCC3)cn1 ZINC000368470625 386977180 /nfs/dbraw/zinc/97/71/80/386977180.db2.gz MWIAYUBULBQWIR-UHFFFAOYSA-N 0 3 234.318 3.129 20 0 BGADHN CSCCCN1CCc2scc(C)c2C1 ZINC000368470926 384843158 /nfs/dbraw/zinc/84/31/58/384843158.db2.gz PZZGPUFGTFBTLR-UHFFFAOYSA-N 0 3 241.425 3.168 20 0 BGADHN C[C@@H](F)CCN1CC=C(c2ccc(O)cc2)CC1 ZINC000368509451 386982705 /nfs/dbraw/zinc/98/27/05/386982705.db2.gz AUIRMRDKBYGAJY-GFCCVEGCSA-N 0 3 249.329 3.229 20 0 BGADHN C[C@H](F)CCN1CC=C(c2ccc(O)cc2)CC1 ZINC000368509454 386982571 /nfs/dbraw/zinc/98/25/71/386982571.db2.gz AUIRMRDKBYGAJY-LBPRGKRZSA-N 0 3 249.329 3.229 20 0 BGADHN Oc1ccc(C2=CCN(CCCCF)CC2)cc1 ZINC000368512569 183267723 /nfs/dbraw/zinc/26/77/23/183267723.db2.gz VIJRTCFGPIFOGC-UHFFFAOYSA-N 0 3 249.329 3.231 20 0 BGADHN CC(C)(C)CCNCc1noc2c1CCCC2 ZINC000368592525 384905824 /nfs/dbraw/zinc/90/58/24/384905824.db2.gz LLTFFLZJTUEFCK-UHFFFAOYSA-N 0 3 236.359 3.079 20 0 BGADHN CC1(C)CC[C@@H](NCc2noc3c2CCCC3)C1 ZINC000368595076 356974552 /nfs/dbraw/zinc/97/45/52/356974552.db2.gz VXWQDLVYDBVYOG-LLVKDONJSA-N 0 3 248.370 3.222 20 0 BGADHN CC1(C)CC[C@H](NCc2noc3c2CCCC3)C1 ZINC000368595077 384930249 /nfs/dbraw/zinc/93/02/49/384930249.db2.gz VXWQDLVYDBVYOG-NSHDSACASA-N 0 3 248.370 3.222 20 0 BGADHN Cc1cncc(CN2CCC3(CCC3)CC2)c1 ZINC000368608534 386994596 /nfs/dbraw/zinc/99/45/96/386994596.db2.gz POXOPRNSICUFGJ-UHFFFAOYSA-N 0 3 230.355 3.156 20 0 BGADHN CC(C)n1cc(CN2CCC(C3CC3)CC2)cn1 ZINC000368633647 386995910 /nfs/dbraw/zinc/99/59/10/386995910.db2.gz BNJBPPUMPYSKIP-UHFFFAOYSA-N 0 3 247.386 3.086 20 0 BGADHN Oc1cccc(CN2CCC(C3CC3)CC2)c1 ZINC000368638440 183287948 /nfs/dbraw/zinc/28/79/48/183287948.db2.gz NQLGDUCIOLZHNT-UHFFFAOYSA-N 0 3 231.339 3.014 20 0 BGADHN C[C@H](NC[C@]1(C)CCO[C@H]1C1CC1)c1ccoc1 ZINC000368652556 387000810 /nfs/dbraw/zinc/00/08/10/387000810.db2.gz LSVOWNFPAJEHQC-CQDKDKBSSA-N 0 3 249.354 3.135 20 0 BGADHN C[C@H](NC[C@]1(C)CCO[C@@H]1C1CC1)c1ccoc1 ZINC000368652557 386999778 /nfs/dbraw/zinc/99/97/78/386999778.db2.gz LSVOWNFPAJEHQC-GLQYFDAESA-N 0 3 249.354 3.135 20 0 BGADHN C[C@H](NC[C@@]1(C)CCO[C@@H]1C1CC1)c1ccoc1 ZINC000368652558 386999671 /nfs/dbraw/zinc/99/96/71/386999671.db2.gz LSVOWNFPAJEHQC-NILFDRSVSA-N 0 3 249.354 3.135 20 0 BGADHN C[C@H](NC[C@@]1(C)CCO[C@H]1C1CC1)c1ccoc1 ZINC000368652559 386998976 /nfs/dbraw/zinc/99/89/76/386998976.db2.gz LSVOWNFPAJEHQC-TUKIKUTGSA-N 0 3 249.354 3.135 20 0 BGADHN COc1ccc(CN2C[C@H]3CCCC[C@H]32)cc1F ZINC000368693859 387004052 /nfs/dbraw/zinc/00/40/52/387004052.db2.gz VGSQEYGDEVIASA-TZMCWYRMSA-N 0 3 249.329 3.209 20 0 BGADHN Cc1ccc(CN2C[C@H]3CCCC[C@H]32)c(C)n1 ZINC000368694268 387004674 /nfs/dbraw/zinc/00/46/74/387004674.db2.gz XXWPEQUQVHDSMJ-HUUCEWRRSA-N 0 3 230.355 3.073 20 0 BGADHN CCN1CCC(c2cccc(OC)c2F)CC1 ZINC000368793500 169957448 /nfs/dbraw/zinc/95/74/48/169957448.db2.gz XBXNRBWTYXWXMN-UHFFFAOYSA-N 0 3 237.318 3.034 20 0 BGADHN Fc1cccc2c1OCC[C@H]2NC1CCCC1 ZINC000368863268 181006326 /nfs/dbraw/zinc/00/63/26/181006326.db2.gz PSQVEBIYHKKOCO-CYBMUJFWSA-N 0 3 235.302 3.182 20 0 BGADHN c1cc(CN2CCC3(CCCCC3)CC2)on1 ZINC000368876791 183339972 /nfs/dbraw/zinc/33/99/72/183339972.db2.gz RYBLTLNEJVIRHS-UHFFFAOYSA-N 0 3 234.343 3.221 20 0 BGADHN Cc1cc([C@@H]2CCN(Cc3ccno3)C2)cs1 ZINC000369020070 178242051 /nfs/dbraw/zinc/24/20/51/178242051.db2.gz UFJXPTUDUINMRX-LLVKDONJSA-N 0 3 248.351 3.034 20 0 BGADHN Cc1cc([C@H]2CCN(Cc3ccno3)C2)cs1 ZINC000369020071 178268028 /nfs/dbraw/zinc/26/80/28/178268028.db2.gz UFJXPTUDUINMRX-NSHDSACASA-N 0 3 248.351 3.034 20 0 BGADHN FC(F)(F)CCN1CCCC2(CCC2)C1 ZINC000369092710 385607669 /nfs/dbraw/zinc/60/76/69/385607669.db2.gz CGUPRJCXKGDPOL-UHFFFAOYSA-N 0 3 221.266 3.205 20 0 BGADHN Cc1ccc([O-])c(C[N@H+]2CCC23CCCCC3)n1 ZINC000369325883 387039368 /nfs/dbraw/zinc/03/93/68/387039368.db2.gz AVEKAJZOCSUVRG-UHFFFAOYSA-N 0 3 246.354 3.004 20 0 BGADHN Cc1ccc([O-])c(C[N@@H+]2CCC23CCCCC3)n1 ZINC000369325883 387039361 /nfs/dbraw/zinc/03/93/61/387039361.db2.gz AVEKAJZOCSUVRG-UHFFFAOYSA-N 0 3 246.354 3.004 20 0 BGADHN c1coc(CN2CCC23CCCCC3)c1 ZINC000369326396 387038630 /nfs/dbraw/zinc/03/86/30/387038630.db2.gz HGHUGJBVPTYJIG-UHFFFAOYSA-N 0 3 205.301 3.188 20 0 BGADHN c1ncc(CN2CCC23CCCCC3)s1 ZINC000369327342 387038545 /nfs/dbraw/zinc/03/85/45/387038545.db2.gz QZHOFEVVFVVUNV-UHFFFAOYSA-N 0 3 222.357 3.052 20 0 BGADHN CC1CCC2(CCN(Cc3ccno3)C2)CC1 ZINC000369328449 168169566 /nfs/dbraw/zinc/16/95/66/168169566.db2.gz DAFZZBZNQSVQNG-UHFFFAOYSA-N 0 3 234.343 3.077 20 0 BGADHN CCCCCN1CCC[C@@H]1c1cc(C)on1 ZINC000369412074 387044275 /nfs/dbraw/zinc/04/42/75/387044275.db2.gz OOHPVYVJXLMKLH-CYBMUJFWSA-N 0 3 222.332 3.310 20 0 BGADHN CCCCCN1CCC[C@H]1c1cc(C)on1 ZINC000369412083 387043022 /nfs/dbraw/zinc/04/30/22/387043022.db2.gz OOHPVYVJXLMKLH-ZDUSSCGKSA-N 0 3 222.332 3.310 20 0 BGADHN CCCCCN1CC=C(c2cccnc2)CC1 ZINC000369494546 387050167 /nfs/dbraw/zinc/05/01/67/387050167.db2.gz RJJBPUQJVAQDFA-UHFFFAOYSA-N 0 3 230.355 3.361 20 0 BGADHN CCc1cccc(CN2CCC[C@H]3OCC[C@H]32)c1 ZINC000369540200 387052182 /nfs/dbraw/zinc/05/21/82/387052182.db2.gz IIGZHVZYPHOMIW-HZPDHXFCSA-N 0 3 245.366 3.002 20 0 BGADHN FC(F)(F)CCN1CC[C@@H](c2ccco2)C1 ZINC000369591178 387056970 /nfs/dbraw/zinc/05/69/70/387056970.db2.gz KHHLGCQPFBOAPH-SECBINFHSA-N 0 3 233.233 3.021 20 0 BGADHN FC(F)(F)CCN1CC[C@H](c2ccco2)C1 ZINC000369591179 387056698 /nfs/dbraw/zinc/05/66/98/387056698.db2.gz KHHLGCQPFBOAPH-VIFPVBQESA-N 0 3 233.233 3.021 20 0 BGADHN FC(F)(F)CCN1CCC2(CCCC2)C1 ZINC000369810066 387070916 /nfs/dbraw/zinc/07/09/16/387070916.db2.gz HUPZKFBFMJOVJD-UHFFFAOYSA-N 0 3 221.266 3.205 20 0 BGADHN c1ccc2c(c1)CO[C@]21CCCN(C2CCC2)C1 ZINC000369929414 387077399 /nfs/dbraw/zinc/07/73/99/387077399.db2.gz HLORLWOCAPNGGE-INIZCTEOSA-N 0 3 243.350 3.060 20 0 BGADHN c1ccc2c(c1)CO[C@@]21CCCN(C2CCC2)C1 ZINC000369929415 387077571 /nfs/dbraw/zinc/07/75/71/387077571.db2.gz HLORLWOCAPNGGE-MRXNPFEDSA-N 0 3 243.350 3.060 20 0 BGADHN Cc1nc(CN2CCCC23CCCC3)cs1 ZINC000370031071 387084937 /nfs/dbraw/zinc/08/49/37/387084937.db2.gz FQRCHPFEHVMJEO-UHFFFAOYSA-N 0 3 236.384 3.360 20 0 BGADHN Fc1ccc(CN2CCCC23CCCC3)nc1 ZINC000370032691 387084285 /nfs/dbraw/zinc/08/42/85/387084285.db2.gz MJGNVGIAIMXOET-UHFFFAOYSA-N 0 3 234.318 3.129 20 0 BGADHN Cc1cc(C=C2CCN(C3CCC3)CC2)no1 ZINC000370084048 387086169 /nfs/dbraw/zinc/08/61/69/387086169.db2.gz UJWGNQYERQTMEY-UHFFFAOYSA-N 0 3 232.327 3.015 20 0 BGADHN CC(C)n1nccc1CN1CCC[C@H]1C1CCC1 ZINC000370139130 387093085 /nfs/dbraw/zinc/09/30/85/387093085.db2.gz BSNQHJKKOCIHDN-HNNXBMFYSA-N 0 3 247.386 3.229 20 0 BGADHN CC(C)n1nccc1CN1CCC[C@@H]1C1CCC1 ZINC000370139131 387092418 /nfs/dbraw/zinc/09/24/18/387092418.db2.gz BSNQHJKKOCIHDN-OAHLLOKOSA-N 0 3 247.386 3.229 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2C[C@@H]3OCCC[C@@H]23)oc1C ZINC000370238330 178255261 /nfs/dbraw/zinc/25/52/61/178255261.db2.gz JEQIFJHCAOQQPX-DNVSUFBTSA-N 0 3 249.354 3.115 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2C[C@H]3OCCC[C@@H]23)oc1C ZINC000370238331 178255306 /nfs/dbraw/zinc/25/53/06/178255306.db2.gz JEQIFJHCAOQQPX-MUYACECFSA-N 0 3 249.354 3.115 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2C[C@H]3OCCC[C@H]23)oc1C ZINC000370238332 178256263 /nfs/dbraw/zinc/25/62/63/178256263.db2.gz JEQIFJHCAOQQPX-XTWPYSKKSA-N 0 3 249.354 3.115 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2C[C@@H]3OCCC[C@H]23)oc1C ZINC000370238333 178256527 /nfs/dbraw/zinc/25/65/27/178256527.db2.gz JEQIFJHCAOQQPX-ZGFBFQLVSA-N 0 3 249.354 3.115 20 0 BGADHN Fc1ccc(CN2CC[C@@H](c3ccco3)C2)cc1 ZINC000370286988 387107115 /nfs/dbraw/zinc/10/71/15/387107115.db2.gz AVERYIXOTPZPQH-CYBMUJFWSA-N 0 3 245.297 3.408 20 0 BGADHN Fc1ccc(CN2CC[C@H](c3ccco3)C2)cc1 ZINC000370286989 180965763 /nfs/dbraw/zinc/96/57/63/180965763.db2.gz AVERYIXOTPZPQH-ZDUSSCGKSA-N 0 3 245.297 3.408 20 0 BGADHN CC[C@H](C)CN1CCC[C@H]1c1cc(C)on1 ZINC000370393948 171280343 /nfs/dbraw/zinc/28/03/43/171280343.db2.gz HRBDNCPCYFWIIQ-GWCFXTLKSA-N 0 3 222.332 3.166 20 0 BGADHN CC[C@@H](C)CN1CCC[C@H]1c1cc(C)on1 ZINC000370393954 387113432 /nfs/dbraw/zinc/11/34/32/387113432.db2.gz HRBDNCPCYFWIIQ-MFKMUULPSA-N 0 3 222.332 3.166 20 0 BGADHN CCCCN(C)c1ccncc1-c1cccnc1 ZINC000370471032 387119189 /nfs/dbraw/zinc/11/91/89/387119189.db2.gz SKPBXIASRWPKRB-UHFFFAOYSA-N 0 3 241.338 3.380 20 0 BGADHN c1cncc(CN2C[C@H]3CCCCCC[C@@H]32)c1 ZINC000370545810 387125021 /nfs/dbraw/zinc/12/50/21/387125021.db2.gz IPSWTAUIPZSLBC-CABCVRRESA-N 0 3 230.355 3.236 20 0 BGADHN c1cncc(CN2C[C@@H]3CCCCCC[C@@H]32)c1 ZINC000370545811 387123689 /nfs/dbraw/zinc/12/36/89/387123689.db2.gz IPSWTAUIPZSLBC-GJZGRUSLSA-N 0 3 230.355 3.236 20 0 BGADHN c1cncc(CN2C[C@H]3CCCCCC[C@H]32)c1 ZINC000370545812 387125123 /nfs/dbraw/zinc/12/51/23/387125123.db2.gz IPSWTAUIPZSLBC-HUUCEWRRSA-N 0 3 230.355 3.236 20 0 BGADHN c1cncc(CN2C[C@@H]3CCCCCC[C@H]32)c1 ZINC000370545813 387124140 /nfs/dbraw/zinc/12/41/40/387124140.db2.gz IPSWTAUIPZSLBC-LSDHHAIUSA-N 0 3 230.355 3.236 20 0 BGADHN CC(C)(C)CNCc1ncoc1-c1ccccc1 ZINC000370556664 387126560 /nfs/dbraw/zinc/12/65/60/387126560.db2.gz ICEOEKDSENGDDP-UHFFFAOYSA-N 0 3 244.338 3.477 20 0 BGADHN c1ccc([C@@H]2CN(CC3CC3)CCS2)cc1 ZINC000370565862 384409062 /nfs/dbraw/zinc/40/90/62/384409062.db2.gz OTISVXJVJWWIOE-AWEZNQCLSA-N 0 3 233.380 3.187 20 0 BGADHN c1ccc([C@H]2CN(CC3CC3)CCS2)cc1 ZINC000370565863 384409627 /nfs/dbraw/zinc/40/96/27/384409627.db2.gz OTISVXJVJWWIOE-CQSZACIVSA-N 0 3 233.380 3.187 20 0 BGADHN CCCCCCN1CCC[C@@H]1c1cc[nH]n1 ZINC000370602755 387129660 /nfs/dbraw/zinc/12/96/60/387129660.db2.gz QMDRLWBQPCGRGE-CYBMUJFWSA-N 0 3 221.348 3.127 20 0 BGADHN CCCCCCN1CCC[C@H]1c1cc[nH]n1 ZINC000370602759 387129761 /nfs/dbraw/zinc/12/97/61/387129761.db2.gz QMDRLWBQPCGRGE-ZDUSSCGKSA-N 0 3 221.348 3.127 20 0 BGADHN c1cc([C@@H]2CCCN2CCC2CCCC2)n[nH]1 ZINC000370603519 183360387 /nfs/dbraw/zinc/36/03/87/183360387.db2.gz VIOFCPIFYCLPPQ-AWEZNQCLSA-N 0 3 233.359 3.127 20 0 BGADHN c1cc([C@H]2CCCN2CCC2CCCC2)n[nH]1 ZINC000370603520 183364164 /nfs/dbraw/zinc/36/41/64/183364164.db2.gz VIOFCPIFYCLPPQ-CQSZACIVSA-N 0 3 233.359 3.127 20 0 BGADHN FCCCN1CCS[C@@H](c2ccccc2)C1 ZINC000370624903 387128584 /nfs/dbraw/zinc/12/85/84/387128584.db2.gz ROIKKEJOTNJPSC-CYBMUJFWSA-N 0 3 239.359 3.136 20 0 BGADHN FCCCN1CCS[C@H](c2ccccc2)C1 ZINC000370624904 387130699 /nfs/dbraw/zinc/13/06/99/387130699.db2.gz ROIKKEJOTNJPSC-ZDUSSCGKSA-N 0 3 239.359 3.136 20 0 BGADHN C(NCC1CCCCC1)c1noc2c1CCCC2 ZINC000370676719 187222246 /nfs/dbraw/zinc/22/22/46/187222246.db2.gz LFTXYOQMUXQKQQ-UHFFFAOYSA-N 0 3 248.370 3.223 20 0 BGADHN C[C@H](N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)c1ccoc1 ZINC000370683149 387135172 /nfs/dbraw/zinc/13/51/72/387135172.db2.gz UUXNKLVMPURCLD-ASEORRQLSA-N 0 3 249.354 3.134 20 0 BGADHN C[C@H](N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)c1ccoc1 ZINC000370683150 387135327 /nfs/dbraw/zinc/13/53/27/387135327.db2.gz UUXNKLVMPURCLD-DEQVHRJGSA-N 0 3 249.354 3.134 20 0 BGADHN C[C@H](N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C)c1ccoc1 ZINC000370683151 188074361 /nfs/dbraw/zinc/07/43/61/188074361.db2.gz UUXNKLVMPURCLD-IGHBBLSQSA-N 0 3 249.354 3.134 20 0 BGADHN C[C@H](N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)c1ccoc1 ZINC000370683153 387134509 /nfs/dbraw/zinc/13/45/09/387134509.db2.gz UUXNKLVMPURCLD-SCUASFONSA-N 0 3 249.354 3.134 20 0 BGADHN CC(C)=CCN(C)[C@H]1CCCc2cccnc21 ZINC000370704275 387136447 /nfs/dbraw/zinc/13/64/47/387136447.db2.gz XZZCXVRXBVVRLM-AWEZNQCLSA-N 0 3 230.355 3.357 20 0 BGADHN CC(C)=CCN(C)[C@@H]1CCCc2cccnc21 ZINC000370704276 387136200 /nfs/dbraw/zinc/13/62/00/387136200.db2.gz XZZCXVRXBVVRLM-CQSZACIVSA-N 0 3 230.355 3.357 20 0 BGADHN CC(C)CCN1CCC[C@@H]1c1nccs1 ZINC000370792132 384871926 /nfs/dbraw/zinc/87/19/26/384871926.db2.gz HJDRORQDGZPQBA-LLVKDONJSA-N 0 3 224.373 3.326 20 0 BGADHN CC(C)CCN1CCC[C@H]1c1nccs1 ZINC000370792133 384871566 /nfs/dbraw/zinc/87/15/66/384871566.db2.gz HJDRORQDGZPQBA-NSHDSACASA-N 0 3 224.373 3.326 20 0 BGADHN c1nc(CN2CCC[C@@H]2C2CCC2)oc1C1CC1 ZINC000371173695 183527903 /nfs/dbraw/zinc/52/79/03/183527903.db2.gz ADRDKFOTGAJITB-CYBMUJFWSA-N 0 3 246.354 3.317 20 0 BGADHN c1nc(CN2CCC[C@H]2C2CCC2)oc1C1CC1 ZINC000371173696 387161583 /nfs/dbraw/zinc/16/15/83/387161583.db2.gz ADRDKFOTGAJITB-ZDUSSCGKSA-N 0 3 246.354 3.317 20 0 BGADHN Cc1noc(C)c1CN1CCC12CCCCC2 ZINC000371205382 387164495 /nfs/dbraw/zinc/16/44/95/387164495.db2.gz RIIWNODSWLLWDK-UHFFFAOYSA-N 0 3 234.343 3.200 20 0 BGADHN Cc1cnc([C@H]2CCCCN2CC2CC2)s1 ZINC000371206653 387172811 /nfs/dbraw/zinc/17/28/11/387172811.db2.gz ZMHWKDJNNXKEEY-GFCCVEGCSA-N 0 3 236.384 3.389 20 0 BGADHN Cc1cnc([C@@H]2CCCCN2CC2CC2)s1 ZINC000371206654 387171535 /nfs/dbraw/zinc/17/15/35/387171535.db2.gz ZMHWKDJNNXKEEY-LBPRGKRZSA-N 0 3 236.384 3.389 20 0 BGADHN C[C@@H](NCc1ncoc1-c1ccccc1)C1CC1 ZINC000371280667 384413029 /nfs/dbraw/zinc/41/30/29/384413029.db2.gz RMHSSFIENAMJMZ-LLVKDONJSA-N 0 3 242.322 3.230 20 0 BGADHN C[C@H](NCc1ncoc1-c1ccccc1)C1CC1 ZINC000371280668 384413132 /nfs/dbraw/zinc/41/31/32/384413132.db2.gz RMHSSFIENAMJMZ-NSHDSACASA-N 0 3 242.322 3.230 20 0 BGADHN CC[C@@H](C)NCc1ncoc1-c1ccccc1 ZINC000371281172 387186970 /nfs/dbraw/zinc/18/69/70/387186970.db2.gz UJYOPKZZPNBQNV-LLVKDONJSA-N 0 3 230.311 3.230 20 0 BGADHN CC[C@H](C)NCc1ncoc1-c1ccccc1 ZINC000371281174 171343799 /nfs/dbraw/zinc/34/37/99/171343799.db2.gz UJYOPKZZPNBQNV-NSHDSACASA-N 0 3 230.311 3.230 20 0 BGADHN COc1ccc(CN2CC[C@@H](C3CC3)C2)cc1F ZINC000371309599 175102569 /nfs/dbraw/zinc/10/25/69/175102569.db2.gz YVKUTPSJHHCBDO-CYBMUJFWSA-N 0 3 249.329 3.066 20 0 BGADHN COc1ccc(CN2CC[C@H](C3CC3)C2)cc1F ZINC000371309600 387188577 /nfs/dbraw/zinc/18/85/77/387188577.db2.gz YVKUTPSJHHCBDO-ZDUSSCGKSA-N 0 3 249.329 3.066 20 0 BGADHN Cc1ccc(CN2CC[C@@H](c3ccco3)C2)o1 ZINC000371331186 387193891 /nfs/dbraw/zinc/19/38/91/387193891.db2.gz FUIBUDKTWNBOHM-GFCCVEGCSA-N 0 3 231.295 3.171 20 0 BGADHN Cc1ccc(CN2CC[C@H](c3ccco3)C2)o1 ZINC000371331187 387193402 /nfs/dbraw/zinc/19/34/02/387193402.db2.gz FUIBUDKTWNBOHM-LBPRGKRZSA-N 0 3 231.295 3.171 20 0 BGADHN C[C@H](c1cccnc1)N1CCC2(CC2)CC1 ZINC000371341632 177045622 /nfs/dbraw/zinc/04/56/22/177045622.db2.gz PVYQNJLBEQNYGL-GFCCVEGCSA-N 0 3 216.328 3.019 20 0 BGADHN C[C@@H](c1cccnc1)N1CCC2(CC2)CC1 ZINC000371341633 176028705 /nfs/dbraw/zinc/02/87/05/176028705.db2.gz PVYQNJLBEQNYGL-LBPRGKRZSA-N 0 3 216.328 3.019 20 0 BGADHN COc1cccc(CN2CCC3(CC3)CC2)c1 ZINC000371349421 175257535 /nfs/dbraw/zinc/25/75/35/175257535.db2.gz IKVCXIAODOJWFQ-UHFFFAOYSA-N 0 3 231.339 3.071 20 0 BGADHN Cc1cc([C@H]2CCCN2CC(C)(C)C)no1 ZINC000371394861 178266086 /nfs/dbraw/zinc/26/60/86/178266086.db2.gz BBGHPHTWJWBOEV-GFCCVEGCSA-N 0 3 222.332 3.166 20 0 BGADHN Cc1cc([C@@H]2CCCN2CC(C)(C)C)no1 ZINC000371394862 178241917 /nfs/dbraw/zinc/24/19/17/178241917.db2.gz BBGHPHTWJWBOEV-LBPRGKRZSA-N 0 3 222.332 3.166 20 0 BGADHN Cc1cc([C@H]2CCCN2C[C@H]2CC=CCC2)no1 ZINC000371394879 178266436 /nfs/dbraw/zinc/26/64/36/178266436.db2.gz BIPUYWAGQIHUKQ-DZGCQCFKSA-N 0 3 246.354 3.476 20 0 BGADHN Cc1cc([C@@H]2CCCN2C[C@@H]2CC=CCC2)no1 ZINC000371394880 178241839 /nfs/dbraw/zinc/24/18/39/178241839.db2.gz BIPUYWAGQIHUKQ-HIFRSBDPSA-N 0 3 246.354 3.476 20 0 BGADHN Cc1cc([C@H]2CCCN2C[C@@H]2CC=CCC2)no1 ZINC000371394881 178266164 /nfs/dbraw/zinc/26/61/64/178266164.db2.gz BIPUYWAGQIHUKQ-UKRRQHHQSA-N 0 3 246.354 3.476 20 0 BGADHN Cc1cc([C@@H]2CCCN2C[C@H]2CC=CCC2)no1 ZINC000371394882 178240348 /nfs/dbraw/zinc/24/03/48/178240348.db2.gz BIPUYWAGQIHUKQ-ZFWWWQNUSA-N 0 3 246.354 3.476 20 0 BGADHN Cc1nc(CN[C@H](C)C(C)(C)C)c2n1CCCC2 ZINC000371402646 387203220 /nfs/dbraw/zinc/20/32/20/387203220.db2.gz ZKBIBTOGLSUVIZ-LLVKDONJSA-N 0 3 249.402 3.052 20 0 BGADHN Cc1nc(CN[C@@H](C)C(C)(C)C)c2n1CCCC2 ZINC000371402647 387203705 /nfs/dbraw/zinc/20/37/05/387203705.db2.gz ZKBIBTOGLSUVIZ-NSHDSACASA-N 0 3 249.402 3.052 20 0 BGADHN c1cc(CN2CC3C[C@@H]4CC2C[C@H](C3)C4)c[nH]1 ZINC000371404583 183339204 /nfs/dbraw/zinc/33/92/04/183339204.db2.gz QQBOLFIBYRWTFQ-DGKWVBSXSA-N 0 3 230.355 3.025 20 0 BGADHN c1c[nH]c([C@H]2CCCN2CCC2CCCC2)n1 ZINC000371425911 183328172 /nfs/dbraw/zinc/32/81/72/183328172.db2.gz NKXOCNSLSGFCGP-CYBMUJFWSA-N 0 3 233.359 3.127 20 0 BGADHN c1c[nH]c([C@@H]2CCCN2CCC2CCCC2)n1 ZINC000371425913 183327864 /nfs/dbraw/zinc/32/78/64/183327864.db2.gz NKXOCNSLSGFCGP-ZDUSSCGKSA-N 0 3 233.359 3.127 20 0 BGADHN O=C(c1cccs1)C1CCN(C2CCC2)CC1 ZINC000371465901 387219889 /nfs/dbraw/zinc/21/98/89/387219889.db2.gz JCVUXSXRIUTRFR-UHFFFAOYSA-N 0 3 249.379 3.195 20 0 BGADHN C[C@H](c1ccccn1)N1CC[C@@H](c2ccco2)C1 ZINC000371864320 177044199 /nfs/dbraw/zinc/04/41/99/177044199.db2.gz XFUHCEUEPREQAW-CHWSQXEVSA-N 0 3 242.322 3.225 20 0 BGADHN C[C@H](c1ccccn1)N1CC[C@H](c2ccco2)C1 ZINC000371864323 177043541 /nfs/dbraw/zinc/04/35/41/177043541.db2.gz XFUHCEUEPREQAW-OLZOCXBDSA-N 0 3 242.322 3.225 20 0 BGADHN C[C@@H](c1ccccn1)N1CC[C@@H](c2ccco2)C1 ZINC000371864324 176028231 /nfs/dbraw/zinc/02/82/31/176028231.db2.gz XFUHCEUEPREQAW-QWHCGFSZSA-N 0 3 242.322 3.225 20 0 BGADHN C[C@@H](c1ccccn1)N1CC[C@H](c2ccco2)C1 ZINC000371864325 176027957 /nfs/dbraw/zinc/02/79/57/176027957.db2.gz XFUHCEUEPREQAW-STQMWFEESA-N 0 3 242.322 3.225 20 0 BGADHN Cc1cc(CN2C[C@@H]3CCCCCC[C@H]32)on1 ZINC000372007232 178005908 /nfs/dbraw/zinc/00/59/08/178005908.db2.gz SNHHYCDZLMLKAY-GXTWGEPZSA-N 0 3 234.343 3.138 20 0 BGADHN Cc1cc(CN2C[C@@H]3CCCCCC[C@@H]32)on1 ZINC000372007233 178004862 /nfs/dbraw/zinc/00/48/62/178004862.db2.gz SNHHYCDZLMLKAY-JSGCOSHPSA-N 0 3 234.343 3.138 20 0 BGADHN Cc1cc(CN2C[C@H]3CCCCCC[C@@H]32)on1 ZINC000372007234 178007473 /nfs/dbraw/zinc/00/74/73/178007473.db2.gz SNHHYCDZLMLKAY-OCCSQVGLSA-N 0 3 234.343 3.138 20 0 BGADHN Cc1cc(CN2C[C@H]3CCCCCC[C@H]32)on1 ZINC000372007235 178007088 /nfs/dbraw/zinc/00/70/88/178007088.db2.gz SNHHYCDZLMLKAY-TZMCWYRMSA-N 0 3 234.343 3.138 20 0 BGADHN CCN1CCC[C@H]1/C=C/c1cccs1 ZINC000372027348 357059806 /nfs/dbraw/zinc/05/98/06/357059806.db2.gz SFZMVAFRBLOUMZ-AEZGRPFRSA-N 0 3 207.342 3.246 20 0 BGADHN CCN1CCC[C@@H]1/C=C/c1cccs1 ZINC000372027350 357059345 /nfs/dbraw/zinc/05/93/45/357059345.db2.gz SFZMVAFRBLOUMZ-WSKFYRRCSA-N 0 3 207.342 3.246 20 0 BGADHN Cc1cc(C=C2CCN(CC(C)C)CC2)no1 ZINC000372041549 387267428 /nfs/dbraw/zinc/26/74/28/387267428.db2.gz FBMBDKPJCUSWDN-UHFFFAOYSA-N 0 3 234.343 3.118 20 0 BGADHN FCCCN1CCSC[C@H]1c1cccs1 ZINC000372042734 387267237 /nfs/dbraw/zinc/26/72/37/387267237.db2.gz OMGAXEYCVPTSRR-JTQLQIEISA-N 0 3 245.388 3.198 20 0 BGADHN FCCCN1CCSC[C@@H]1c1cccs1 ZINC000372042735 387266641 /nfs/dbraw/zinc/26/66/41/387266641.db2.gz OMGAXEYCVPTSRR-SNVBAGLBSA-N 0 3 245.388 3.198 20 0 BGADHN C[C@H](NC[C@]1(C)CCO[C@H]1C1CC1)c1ccco1 ZINC000372097222 387271020 /nfs/dbraw/zinc/27/10/20/387271020.db2.gz XQQIRHJOOOTLJR-CQDKDKBSSA-N 0 3 249.354 3.135 20 0 BGADHN C[C@H](NC[C@]1(C)CCO[C@@H]1C1CC1)c1ccco1 ZINC000372097223 387270348 /nfs/dbraw/zinc/27/03/48/387270348.db2.gz XQQIRHJOOOTLJR-GLQYFDAESA-N 0 3 249.354 3.135 20 0 BGADHN C[C@H](NC[C@@]1(C)CCO[C@@H]1C1CC1)c1ccco1 ZINC000372097224 387271606 /nfs/dbraw/zinc/27/16/06/387271606.db2.gz XQQIRHJOOOTLJR-NILFDRSVSA-N 0 3 249.354 3.135 20 0 BGADHN C[C@H](NC[C@@]1(C)CCO[C@H]1C1CC1)c1ccco1 ZINC000372097225 387270508 /nfs/dbraw/zinc/27/05/08/387270508.db2.gz XQQIRHJOOOTLJR-TUKIKUTGSA-N 0 3 249.354 3.135 20 0 BGADHN c1ccc([C@@H]2COCCN2C2CCCC2)cc1 ZINC000372255536 387286648 /nfs/dbraw/zinc/28/66/48/387286648.db2.gz MUWQZRYMEANWBV-HNNXBMFYSA-N 0 3 231.339 3.003 20 0 BGADHN c1ccc([C@H]2COCCN2C2CCCC2)cc1 ZINC000372255538 387287958 /nfs/dbraw/zinc/28/79/58/387287958.db2.gz MUWQZRYMEANWBV-OAHLLOKOSA-N 0 3 231.339 3.003 20 0 BGADHN C[C@@H]1CC[C@]2(CCN(Cc3ccc(F)nc3)C2)C1 ZINC000372364648 176238433 /nfs/dbraw/zinc/23/84/33/176238433.db2.gz HBKPCAPOZLCDEA-DOMZBBRYSA-N 0 3 248.345 3.233 20 0 BGADHN C[C@@H]1CC[C@@]2(CCN(Cc3ccc(F)nc3)C2)C1 ZINC000372364651 176219209 /nfs/dbraw/zinc/21/92/09/176219209.db2.gz HBKPCAPOZLCDEA-IUODEOHRSA-N 0 3 248.345 3.233 20 0 BGADHN C[C@H]1CC[C@@]2(CCN(Cc3ccc(F)nc3)C2)C1 ZINC000372364652 177196908 /nfs/dbraw/zinc/19/69/08/177196908.db2.gz HBKPCAPOZLCDEA-SWLSCSKDSA-N 0 3 248.345 3.233 20 0 BGADHN C[C@H]1CC[C@]2(CCN(Cc3ccc(F)nc3)C2)C1 ZINC000372364655 177208497 /nfs/dbraw/zinc/20/84/97/177208497.db2.gz HBKPCAPOZLCDEA-WFASDCNBSA-N 0 3 248.345 3.233 20 0 BGADHN FCCN[C@@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000372460997 384515398 /nfs/dbraw/zinc/51/53/98/384515398.db2.gz XJGGRQDRGSQVPL-CHWSQXEVSA-N 0 3 225.282 3.021 20 0 BGADHN FCCN[C@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000372460998 384513957 /nfs/dbraw/zinc/51/39/57/384513957.db2.gz XJGGRQDRGSQVPL-OLZOCXBDSA-N 0 3 225.282 3.021 20 0 BGADHN FCCN[C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000372460999 384515351 /nfs/dbraw/zinc/51/53/51/384515351.db2.gz XJGGRQDRGSQVPL-QWHCGFSZSA-N 0 3 225.282 3.021 20 0 BGADHN FCCN[C@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000372461000 383893840 /nfs/dbraw/zinc/89/38/40/383893840.db2.gz XJGGRQDRGSQVPL-STQMWFEESA-N 0 3 225.282 3.021 20 0 BGADHN Cc1noc(C)c1CN1C[C@@H]2CCCCCC[C@H]21 ZINC000372583429 387310527 /nfs/dbraw/zinc/31/05/27/387310527.db2.gz FBUSOSYOVONCQT-DZGCQCFKSA-N 0 3 248.370 3.446 20 0 BGADHN Cc1noc(C)c1CN1C[C@H]2CCCCCC[C@@H]21 ZINC000372583432 387312328 /nfs/dbraw/zinc/31/23/28/387312328.db2.gz FBUSOSYOVONCQT-HIFRSBDPSA-N 0 3 248.370 3.446 20 0 BGADHN Cc1noc(C)c1CN1C[C@H]2CCCCCC[C@H]21 ZINC000372583437 387310594 /nfs/dbraw/zinc/31/05/94/387310594.db2.gz FBUSOSYOVONCQT-UKRRQHHQSA-N 0 3 248.370 3.446 20 0 BGADHN Cc1noc(C)c1CN1C[C@@H]2CCCCCC[C@@H]21 ZINC000372583441 387310624 /nfs/dbraw/zinc/31/06/24/387310624.db2.gz FBUSOSYOVONCQT-ZFWWWQNUSA-N 0 3 248.370 3.446 20 0 BGADHN Cc1oncc1CN1CCC2(C1)CCC(C)CC2 ZINC000372602286 387315109 /nfs/dbraw/zinc/31/51/09/387315109.db2.gz WKSVEQOWVQDDGU-UHFFFAOYSA-N 0 3 248.370 3.385 20 0 BGADHN C[C@@H]1CC[C@]2(CCN(Cc3ccc(F)cn3)C2)C1 ZINC000372733753 176238408 /nfs/dbraw/zinc/23/84/08/176238408.db2.gz ALOPJGUTONZBHT-DOMZBBRYSA-N 0 3 248.345 3.233 20 0 BGADHN C[C@@H]1CC[C@@]2(CCN(Cc3ccc(F)cn3)C2)C1 ZINC000372733754 176218591 /nfs/dbraw/zinc/21/85/91/176218591.db2.gz ALOPJGUTONZBHT-IUODEOHRSA-N 0 3 248.345 3.233 20 0 BGADHN C[C@H]1CC[C@@]2(CCN(Cc3ccc(F)cn3)C2)C1 ZINC000372733755 177196371 /nfs/dbraw/zinc/19/63/71/177196371.db2.gz ALOPJGUTONZBHT-SWLSCSKDSA-N 0 3 248.345 3.233 20 0 BGADHN C[C@H]1CC[C@]2(CCN(Cc3ccc(F)cn3)C2)C1 ZINC000372733756 177208350 /nfs/dbraw/zinc/20/83/50/177208350.db2.gz ALOPJGUTONZBHT-WFASDCNBSA-N 0 3 248.345 3.233 20 0 BGADHN FC(F)(F)CCN1C[C@H]2CCCCC[C@H]21 ZINC000372742818 387325875 /nfs/dbraw/zinc/32/58/75/387325875.db2.gz AFRISIFHCQBDNZ-NXEZZACHSA-N 0 3 221.266 3.203 20 0 BGADHN FC(F)(F)CCN1C[C@@H]2CCCCC[C@@H]21 ZINC000372742825 387324216 /nfs/dbraw/zinc/32/42/16/387324216.db2.gz AFRISIFHCQBDNZ-UWVGGRQHSA-N 0 3 221.266 3.203 20 0 BGADHN FC(F)(F)CCN1C[C@@H]2CCCCC[C@H]21 ZINC000372742827 387324030 /nfs/dbraw/zinc/32/40/30/387324030.db2.gz AFRISIFHCQBDNZ-VHSXEESVSA-N 0 3 221.266 3.203 20 0 BGADHN FC(F)(F)CCN1C[C@H]2CCCCC[C@@H]21 ZINC000372742829 387324878 /nfs/dbraw/zinc/32/48/78/387324878.db2.gz AFRISIFHCQBDNZ-ZJUUUORDSA-N 0 3 221.266 3.203 20 0 BGADHN c1nc(CNC2CCCC2)c(-c2ccccc2)o1 ZINC000372789966 183385413 /nfs/dbraw/zinc/38/54/13/183385413.db2.gz XZOWTZNFZDJSPY-UHFFFAOYSA-N 0 3 242.322 3.374 20 0 BGADHN CC(C)COCCN1CCC[C@@H]1c1ccco1 ZINC000372813009 188075838 /nfs/dbraw/zinc/07/58/38/188075838.db2.gz RZEXQDSMNZIWGZ-CYBMUJFWSA-N 0 3 237.343 3.089 20 0 BGADHN CC(C)COCCN1CCC[C@H]1c1ccco1 ZINC000372813010 387329731 /nfs/dbraw/zinc/32/97/31/387329731.db2.gz RZEXQDSMNZIWGZ-ZDUSSCGKSA-N 0 3 237.343 3.089 20 0 BGADHN CCC(=O)CCN1CC[C@](C)(c2ccccc2)C1 ZINC000372848291 168203961 /nfs/dbraw/zinc/20/39/61/168203961.db2.gz QNPUVNJNRRAJHP-INIZCTEOSA-N 0 3 245.366 3.019 20 0 BGADHN CCC(=O)CCN1CC[C@@](C)(c2ccccc2)C1 ZINC000372848292 168202936 /nfs/dbraw/zinc/20/29/36/168202936.db2.gz QNPUVNJNRRAJHP-MRXNPFEDSA-N 0 3 245.366 3.019 20 0 BGADHN CC[C@@H](C)CN1CCC[C@@H]1c1nccs1 ZINC000372962295 387335827 /nfs/dbraw/zinc/33/58/27/387335827.db2.gz ZKJHPBIGIIIKGK-GHMZBOCLSA-N 0 3 224.373 3.326 20 0 BGADHN CC[C@@H](C)CN1CCC[C@H]1c1nccs1 ZINC000372962298 387335548 /nfs/dbraw/zinc/33/55/48/387335548.db2.gz ZKJHPBIGIIIKGK-MNOVXSKESA-N 0 3 224.373 3.326 20 0 BGADHN CC[C@H](C)CN1CCC[C@H]1c1nccs1 ZINC000372962301 171281185 /nfs/dbraw/zinc/28/11/85/171281185.db2.gz ZKJHPBIGIIIKGK-QWRGUYRKSA-N 0 3 224.373 3.326 20 0 BGADHN CC[C@H](C)CN1CCC[C@@H]1c1nccs1 ZINC000372962302 171280481 /nfs/dbraw/zinc/28/04/81/171280481.db2.gz ZKJHPBIGIIIKGK-WDEREUQCSA-N 0 3 224.373 3.326 20 0 BGADHN CC[C@@]1(C)C[C@H]1C(=O)N1CCC12CCCCC2 ZINC000372963420 171207318 /nfs/dbraw/zinc/20/73/18/171207318.db2.gz DVCZYSBIVIWDSO-JSGCOSHPSA-N 0 3 235.371 3.358 20 0 BGADHN CCCCCCN1CCC[C@@H]1c1nccn1C ZINC000372976844 168662119 /nfs/dbraw/zinc/66/21/19/168662119.db2.gz PCZHAAGVEYRDES-CYBMUJFWSA-N 0 3 235.375 3.137 20 0 BGADHN CCCCCCN1CCC[C@H]1c1nccn1C ZINC000372976845 387338898 /nfs/dbraw/zinc/33/88/98/387338898.db2.gz PCZHAAGVEYRDES-ZDUSSCGKSA-N 0 3 235.375 3.137 20 0 BGADHN CC(C)=CCNCc1ccc(-c2cc[nH]n2)cc1 ZINC000372993108 188430993 /nfs/dbraw/zinc/43/09/93/188430993.db2.gz NQDFWEHDHDGFOV-UHFFFAOYSA-N 0 3 241.338 3.133 20 0 BGADHN Clc1cc(CN2CCCC23CCC3)ccn1 ZINC000373099561 398012958 /nfs/dbraw/zinc/01/29/58/398012958.db2.gz NLGCCOAELNECQU-UHFFFAOYSA-N 0 3 236.746 3.254 20 0 BGADHN COc1ccc(CN2CCCC23CCC3)cc1F ZINC000373102850 188249504 /nfs/dbraw/zinc/24/95/04/188249504.db2.gz BZIVLDXUNNHSDH-UHFFFAOYSA-N 0 3 249.329 3.353 20 0 BGADHN c1noc(C2CC2)c1CN1CCCC12CCC2 ZINC000373104796 398012596 /nfs/dbraw/zinc/01/25/96/398012596.db2.gz RMSFOJNAQVLHFO-UHFFFAOYSA-N 0 3 232.327 3.071 20 0 BGADHN Cc1cccnc1CN1C[C@@H]2CCCCC[C@H]21 ZINC000373166552 179375132 /nfs/dbraw/zinc/37/51/32/179375132.db2.gz LGWOPSYNMQNMIM-DZGCQCFKSA-N 0 3 230.355 3.155 20 0 BGADHN Cc1cccnc1CN1C[C@H]2CCCCC[C@@H]21 ZINC000373166553 179378273 /nfs/dbraw/zinc/37/82/73/179378273.db2.gz LGWOPSYNMQNMIM-HIFRSBDPSA-N 0 3 230.355 3.155 20 0 BGADHN Cc1cccnc1CN1C[C@H]2CCCCC[C@H]21 ZINC000373166554 179377829 /nfs/dbraw/zinc/37/78/29/179377829.db2.gz LGWOPSYNMQNMIM-UKRRQHHQSA-N 0 3 230.355 3.155 20 0 BGADHN Cc1cccnc1CN1C[C@@H]2CCCCC[C@@H]21 ZINC000373166555 179375982 /nfs/dbraw/zinc/37/59/82/179375982.db2.gz LGWOPSYNMQNMIM-ZFWWWQNUSA-N 0 3 230.355 3.155 20 0 BGADHN Cn1ccnc1[C@@H]1CCCN1CC1CCCCC1 ZINC000373177712 398016453 /nfs/dbraw/zinc/01/64/53/398016453.db2.gz QSQSPOBHUHYMOF-AWEZNQCLSA-N 0 3 247.386 3.137 20 0 BGADHN Cn1ccnc1[C@H]1CCCN1CC1CCCCC1 ZINC000373177714 398016212 /nfs/dbraw/zinc/01/62/12/398016212.db2.gz QSQSPOBHUHYMOF-CQSZACIVSA-N 0 3 247.386 3.137 20 0 BGADHN C=Cn1cc(CN[C@H]2C[C@@H]2C2CCCCC2)cn1 ZINC000373208611 187386624 /nfs/dbraw/zinc/38/66/24/187386624.db2.gz SOEZJPDWNADPKG-CABCVRRESA-N 0 3 245.370 3.042 20 0 BGADHN C=Cn1cc(CN[C@H]2C[C@H]2C2CCCCC2)cn1 ZINC000373208614 188249464 /nfs/dbraw/zinc/24/94/64/188249464.db2.gz SOEZJPDWNADPKG-GJZGRUSLSA-N 0 3 245.370 3.042 20 0 BGADHN C=Cn1cc(CN[C@@H]2C[C@@H]2C2CCCCC2)cn1 ZINC000373208615 187223310 /nfs/dbraw/zinc/22/33/10/187223310.db2.gz SOEZJPDWNADPKG-HUUCEWRRSA-N 0 3 245.370 3.042 20 0 BGADHN C=Cn1cc(CN[C@@H]2C[C@H]2C2CCCCC2)cn1 ZINC000373208617 387347618 /nfs/dbraw/zinc/34/76/18/387347618.db2.gz SOEZJPDWNADPKG-LSDHHAIUSA-N 0 3 245.370 3.042 20 0 BGADHN C=Cn1cc(CN2C[C@H]3CCCCCC[C@@H]32)cn1 ZINC000373208900 188074863 /nfs/dbraw/zinc/07/48/63/188074863.db2.gz UTWSQUZNNHRGIK-CABCVRRESA-N 0 3 245.370 3.138 20 0 BGADHN C=Cn1cc(CN2C[C@@H]3CCCCCC[C@@H]32)cn1 ZINC000373208901 187386822 /nfs/dbraw/zinc/38/68/22/187386822.db2.gz UTWSQUZNNHRGIK-GJZGRUSLSA-N 0 3 245.370 3.138 20 0 BGADHN C=Cn1cc(CN2C[C@H]3CCCCCC[C@H]32)cn1 ZINC000373208902 387347375 /nfs/dbraw/zinc/34/73/75/387347375.db2.gz UTWSQUZNNHRGIK-HUUCEWRRSA-N 0 3 245.370 3.138 20 0 BGADHN C=Cn1cc(CN2C[C@@H]3CCCCCC[C@H]32)cn1 ZINC000373208903 386037872 /nfs/dbraw/zinc/03/78/72/386037872.db2.gz UTWSQUZNNHRGIK-LSDHHAIUSA-N 0 3 245.370 3.138 20 0 BGADHN CC/C=C/CCN1CCC[C@@H](c2ccncn2)C1 ZINC000373343945 387359037 /nfs/dbraw/zinc/35/90/37/387359037.db2.gz GDHOKDAPKYZWLQ-RDFMZFSFSA-N 0 3 245.370 3.012 20 0 BGADHN CC/C=C/CCN1CCC[C@H](c2ccncn2)C1 ZINC000373343946 387359458 /nfs/dbraw/zinc/35/94/58/387359458.db2.gz GDHOKDAPKYZWLQ-XGACYXMMSA-N 0 3 245.370 3.012 20 0 BGADHN Cc1cncc(CN2CCCC3(CCC3)C2)c1 ZINC000373404366 387363133 /nfs/dbraw/zinc/36/31/33/387363133.db2.gz QVWUAXLGNVSAJB-UHFFFAOYSA-N 0 3 230.355 3.156 20 0 BGADHN Cc1ccncc1CN1CCCC2(CCC2)C1 ZINC000373407162 387364902 /nfs/dbraw/zinc/36/49/02/387364902.db2.gz SXKPRQISRNXXGS-UHFFFAOYSA-N 0 3 230.355 3.156 20 0 BGADHN C[C@H](c1cccnc1)N1CCCC2(CCC2)C1 ZINC000373411929 177044803 /nfs/dbraw/zinc/04/48/03/177044803.db2.gz JWBMCTUDVLLXHE-CYBMUJFWSA-N 0 3 230.355 3.409 20 0 BGADHN C[C@@H](c1cccnc1)N1CCCC2(CCC2)C1 ZINC000373411930 176029714 /nfs/dbraw/zinc/02/97/14/176029714.db2.gz JWBMCTUDVLLXHE-ZDUSSCGKSA-N 0 3 230.355 3.409 20 0 BGADHN Cc1ccc(CN2CCCC3(CCC3)C2)c(C)n1 ZINC000373413182 387364055 /nfs/dbraw/zinc/36/40/55/387364055.db2.gz PZUMCSGCLOXRJP-UHFFFAOYSA-N 0 3 244.382 3.465 20 0 BGADHN Cc1ccc(CN2C[C@H]3CCCCC[C@@H]32)c(C)n1 ZINC000373452857 387373145 /nfs/dbraw/zinc/37/31/45/387373145.db2.gz LRDIGDGPNJKVHC-CVEARBPZSA-N 0 3 244.382 3.463 20 0 BGADHN Cc1ccc(CN2C[C@@H]3CCCCC[C@@H]32)c(C)n1 ZINC000373452862 387372704 /nfs/dbraw/zinc/37/27/04/387372704.db2.gz LRDIGDGPNJKVHC-HOTGVXAUSA-N 0 3 244.382 3.463 20 0 BGADHN Cc1ccc(CN2C[C@H]3CCCCC[C@H]32)c(C)n1 ZINC000373452864 387373281 /nfs/dbraw/zinc/37/32/81/387373281.db2.gz LRDIGDGPNJKVHC-HZPDHXFCSA-N 0 3 244.382 3.463 20 0 BGADHN Cc1ccc(CN2C[C@@H]3CCCCC[C@H]32)c(C)n1 ZINC000373452867 387373423 /nfs/dbraw/zinc/37/34/23/387373423.db2.gz LRDIGDGPNJKVHC-JKSUJKDBSA-N 0 3 244.382 3.463 20 0 BGADHN Cc1cc(C)cc(CN2CCC[C@H]3OCC[C@H]32)c1 ZINC000373482002 387374698 /nfs/dbraw/zinc/37/46/98/387374698.db2.gz GIGYTNHZXGXNPP-HZPDHXFCSA-N 0 3 245.366 3.057 20 0 BGADHN CC(C)n1nccc1CN1CCC12CCCCC2 ZINC000373487932 387374544 /nfs/dbraw/zinc/37/45/44/387374544.db2.gz FJJJAWMRTQSYNA-UHFFFAOYSA-N 0 3 247.386 3.373 20 0 BGADHN Cc1ncccc1CN1CCCC2(CCC2)C1 ZINC000373489710 180219112 /nfs/dbraw/zinc/21/91/12/180219112.db2.gz MINPMYMIOSFBGS-UHFFFAOYSA-N 0 3 230.355 3.156 20 0 BGADHN Oc1cccc(CN2CCCC3(CCC3)C2)c1 ZINC000373490135 183290162 /nfs/dbraw/zinc/29/01/62/183290162.db2.gz OLKCDHCQRIZZNK-UHFFFAOYSA-N 0 3 231.339 3.158 20 0 BGADHN c1coc(CN2CCCC3(CCC3)C2)c1 ZINC000373490894 387376454 /nfs/dbraw/zinc/37/64/54/387376454.db2.gz SCHGPBDJGUJXIT-UHFFFAOYSA-N 0 3 205.301 3.046 20 0 BGADHN Cc1ccncc1CN1CCC12CCCCC2 ZINC000373491789 387375726 /nfs/dbraw/zinc/37/57/26/387375726.db2.gz YJBLPHQNRCJTGK-UHFFFAOYSA-N 0 3 230.355 3.299 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2C[C@@H]3OCCC[C@H]23)c(C)o1 ZINC000373519840 178254813 /nfs/dbraw/zinc/25/48/13/178254813.db2.gz DARHRXJNPVGMRW-BTQDYEIMSA-N 0 3 249.354 3.115 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2C[C@@H]3OCCC[C@@H]23)c(C)o1 ZINC000373519842 178256161 /nfs/dbraw/zinc/25/61/61/178256161.db2.gz DARHRXJNPVGMRW-FATJJJSSSA-N 0 3 249.354 3.115 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2C[C@H]3OCCC[C@@H]23)c(C)o1 ZINC000373519844 178255922 /nfs/dbraw/zinc/25/59/22/178255922.db2.gz DARHRXJNPVGMRW-OBCWZRDOSA-N 0 3 249.354 3.115 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2C[C@H]3OCCC[C@H]23)c(C)o1 ZINC000373519845 178256405 /nfs/dbraw/zinc/25/64/05/178256405.db2.gz DARHRXJNPVGMRW-QMGNLALYSA-N 0 3 249.354 3.115 20 0 BGADHN CC[C@@]1(C)C[C@H]1C(=O)N1CC(C2CCCC2)C1 ZINC000373714838 171207177 /nfs/dbraw/zinc/20/71/77/171207177.db2.gz MUWONPKQTAPDLE-ZFWWWQNUSA-N 0 3 235.371 3.071 20 0 BGADHN CCCN1CCC(c2ncccc2Cl)CC1 ZINC000373774516 169191932 /nfs/dbraw/zinc/19/19/32/169191932.db2.gz HJRJBSQEJSOTJK-UHFFFAOYSA-N 0 3 238.762 3.324 20 0 BGADHN CC(C)n1ccc(CN2CCCC23CCCC3)n1 ZINC000373833532 387398496 /nfs/dbraw/zinc/39/84/96/387398496.db2.gz VENROVCOLPUSAC-UHFFFAOYSA-N 0 3 247.386 3.373 20 0 BGADHN CCC[C@@H](C)CN(C)Cc1cn2c(n1)CCCC2 ZINC000373880742 169357625 /nfs/dbraw/zinc/35/76/25/169357625.db2.gz IDXJRHBQXNWHOX-CYBMUJFWSA-N 0 3 249.402 3.087 20 0 BGADHN CCC[C@H](C)CN(C)Cc1cn2c(n1)CCCC2 ZINC000373880743 387401607 /nfs/dbraw/zinc/40/16/07/387401607.db2.gz IDXJRHBQXNWHOX-ZDUSSCGKSA-N 0 3 249.402 3.087 20 0 BGADHN CCN(C)[C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000373957934 387409936 /nfs/dbraw/zinc/40/99/36/387409936.db2.gz XCPJGNGPHUGURV-INIZCTEOSA-N 0 3 240.350 3.431 20 0 BGADHN CCN(C)[C@H](c1ccc(C)cc1)c1ccccn1 ZINC000373957938 387407361 /nfs/dbraw/zinc/40/73/61/387407361.db2.gz XCPJGNGPHUGURV-MRXNPFEDSA-N 0 3 240.350 3.431 20 0 BGADHN Fc1cccc(CN2CC[C@@H](c3ccco3)C2)c1 ZINC000374002112 387410345 /nfs/dbraw/zinc/41/03/45/387410345.db2.gz KDUMIGLCENLKTE-CYBMUJFWSA-N 0 3 245.297 3.408 20 0 BGADHN Fc1cccc(CN2CC[C@H](c3ccco3)C2)c1 ZINC000374002114 387408470 /nfs/dbraw/zinc/40/84/70/387408470.db2.gz KDUMIGLCENLKTE-ZDUSSCGKSA-N 0 3 245.297 3.408 20 0 BGADHN C[C@@H](c1cccnc1)N1CC[C@@H](c2ccco2)C1 ZINC000374007269 176030099 /nfs/dbraw/zinc/03/00/99/176030099.db2.gz DPUZGTIVJGTLRH-GXTWGEPZSA-N 0 3 242.322 3.225 20 0 BGADHN C[C@@H](c1cccnc1)N1CC[C@H](c2ccco2)C1 ZINC000374007270 176030365 /nfs/dbraw/zinc/03/03/65/176030365.db2.gz DPUZGTIVJGTLRH-JSGCOSHPSA-N 0 3 242.322 3.225 20 0 BGADHN C[C@H](c1cccnc1)N1CC[C@H](c2ccco2)C1 ZINC000374007271 177046543 /nfs/dbraw/zinc/04/65/43/177046543.db2.gz DPUZGTIVJGTLRH-OCCSQVGLSA-N 0 3 242.322 3.225 20 0 BGADHN C[C@H](c1cccnc1)N1CC[C@@H](c2ccco2)C1 ZINC000374007272 177046202 /nfs/dbraw/zinc/04/62/02/177046202.db2.gz DPUZGTIVJGTLRH-TZMCWYRMSA-N 0 3 242.322 3.225 20 0 BGADHN Fc1ccccc1CN1CC[C@@H](c2ccco2)C1 ZINC000374009138 181011780 /nfs/dbraw/zinc/01/17/80/181011780.db2.gz VSZRPKDENNTDRQ-CYBMUJFWSA-N 0 3 245.297 3.408 20 0 BGADHN Fc1ccccc1CN1CC[C@H](c2ccco2)C1 ZINC000374009140 181011964 /nfs/dbraw/zinc/01/19/64/181011964.db2.gz VSZRPKDENNTDRQ-ZDUSSCGKSA-N 0 3 245.297 3.408 20 0 BGADHN c1cncc(-c2cnccc2N2CCCCC2)c1 ZINC000374045080 132286795 /nfs/dbraw/zinc/28/67/95/132286795.db2.gz LHAXIGSKIHNBSJ-UHFFFAOYSA-N 0 3 239.322 3.134 20 0 BGADHN CC(C)CN1CC[C@@H]1c1ccccc1F ZINC000374106781 343243353 /nfs/dbraw/zinc/24/33/53/343243353.db2.gz KWTRRINXADXFQH-CYBMUJFWSA-N 0 3 207.292 3.229 20 0 BGADHN CC(C)CN1CC[C@H]1c1ccccc1F ZINC000374106782 343243219 /nfs/dbraw/zinc/24/32/19/343243219.db2.gz KWTRRINXADXFQH-ZDUSSCGKSA-N 0 3 207.292 3.229 20 0 BGADHN c1ccc(CN2CCC(OCC3CC3)CC2)cc1 ZINC000374141024 183395860 /nfs/dbraw/zinc/39/58/60/183395860.db2.gz KGSOJEAPDSPEMI-UHFFFAOYSA-N 0 3 245.366 3.078 20 0 BGADHN Cc1nn(C(C)C)cc1CN1CC[C@H](C2CC2)C1 ZINC000374233239 188076554 /nfs/dbraw/zinc/07/65/54/188076554.db2.gz WNPYURSNDAFFJL-AWEZNQCLSA-N 0 3 247.386 3.004 20 0 BGADHN Cc1nn(C(C)C)cc1CN1CC[C@@H](C2CC2)C1 ZINC000374233240 387434664 /nfs/dbraw/zinc/43/46/64/387434664.db2.gz WNPYURSNDAFFJL-CQSZACIVSA-N 0 3 247.386 3.004 20 0 BGADHN c1ccc([C@@H]2CN(C3CCC3)CCS2)cc1 ZINC000374258827 387435055 /nfs/dbraw/zinc/43/50/55/387435055.db2.gz MAJJWUJKEDQNGG-AWEZNQCLSA-N 0 3 233.380 3.329 20 0 BGADHN c1ccc([C@H]2CN(C3CCC3)CCS2)cc1 ZINC000374258828 387435768 /nfs/dbraw/zinc/43/57/68/387435768.db2.gz MAJJWUJKEDQNGG-CQSZACIVSA-N 0 3 233.380 3.329 20 0 BGADHN COc1cccc(CNC23CCC(CC2)C3)c1F ZINC000374291605 175263842 /nfs/dbraw/zinc/26/38/42/175263842.db2.gz DIDWWMNUTYLEMX-UHFFFAOYSA-N 0 3 249.329 3.257 20 0 BGADHN CC(C)OC[C@H](C)N[C@H]1CCCc2occc21 ZINC000374303166 167267704 /nfs/dbraw/zinc/26/77/04/167267704.db2.gz RGKHAFTTYZDZRV-AAEUAGOBSA-N 0 3 237.343 3.060 20 0 BGADHN CC(C)OC[C@@H](C)N[C@@H]1CCCc2occc21 ZINC000374303167 167257835 /nfs/dbraw/zinc/25/78/35/167257835.db2.gz RGKHAFTTYZDZRV-DGCLKSJQSA-N 0 3 237.343 3.060 20 0 BGADHN CC(C)OC[C@H](C)N[C@@H]1CCCc2occc21 ZINC000374303169 167266123 /nfs/dbraw/zinc/26/61/23/167266123.db2.gz RGKHAFTTYZDZRV-WCQYABFASA-N 0 3 237.343 3.060 20 0 BGADHN CC(C)OC[C@@H](C)N[C@H]1CCCc2occc21 ZINC000374303171 167258981 /nfs/dbraw/zinc/25/89/81/167258981.db2.gz RGKHAFTTYZDZRV-YPMHNXCESA-N 0 3 237.343 3.060 20 0 BGADHN CC(C)CCN1CC=C(c2cncc(F)c2)CC1 ZINC000374307511 387437504 /nfs/dbraw/zinc/43/75/04/387437504.db2.gz HSJCDYHLISSAOM-UHFFFAOYSA-N 0 3 248.345 3.356 20 0 BGADHN COc1cccc(CN2CC[C@@H](C3CC3)C2)c1F ZINC000374377861 175259750 /nfs/dbraw/zinc/25/97/50/175259750.db2.gz OJWVNONNWUGRLY-GFCCVEGCSA-N 0 3 249.329 3.066 20 0 BGADHN COc1cccc(CN2CC[C@H](C3CC3)C2)c1F ZINC000374377862 175260647 /nfs/dbraw/zinc/26/06/47/175260647.db2.gz OJWVNONNWUGRLY-LBPRGKRZSA-N 0 3 249.329 3.066 20 0 BGADHN COc1cccc(CN2CCC[C@@H]2C2CC2)c1F ZINC000374392481 175259019 /nfs/dbraw/zinc/25/90/19/175259019.db2.gz TTXMHFSVSVGOSA-CYBMUJFWSA-N 0 3 249.329 3.209 20 0 BGADHN COc1cccc(CN2CCC[C@H]2C2CC2)c1F ZINC000374392484 175258523 /nfs/dbraw/zinc/25/85/23/175258523.db2.gz TTXMHFSVSVGOSA-ZDUSSCGKSA-N 0 3 249.329 3.209 20 0 BGADHN COCCCCN1CCC(C)=C(c2ccco2)C1 ZINC000374514057 174190982 /nfs/dbraw/zinc/19/09/82/174190982.db2.gz MTFIGRYKSPYWKZ-UHFFFAOYSA-N 0 3 249.354 3.185 20 0 BGADHN F[C@@]1(c2ccccc2)CCN(C2CCC2)C1 ZINC000374540968 387467570 /nfs/dbraw/zinc/46/75/70/387467570.db2.gz ZABGFDMZQNJEMS-AWEZNQCLSA-N 0 3 219.303 3.110 20 0 BGADHN F[C@]1(c2ccccc2)CCN(C2CCC2)C1 ZINC000374540969 387466075 /nfs/dbraw/zinc/46/60/75/387466075.db2.gz ZABGFDMZQNJEMS-CQSZACIVSA-N 0 3 219.303 3.110 20 0 BGADHN Cc1noc(C)c1CN1C[C@@H]2CCCCC[C@H]21 ZINC000374546756 387466030 /nfs/dbraw/zinc/46/60/30/387466030.db2.gz BFZSKGRWOPASMR-GXTWGEPZSA-N 0 3 234.343 3.056 20 0 BGADHN Cc1noc(C)c1CN1C[C@@H]2CCCCC[C@@H]21 ZINC000374546767 387466826 /nfs/dbraw/zinc/46/68/26/387466826.db2.gz BFZSKGRWOPASMR-JSGCOSHPSA-N 0 3 234.343 3.056 20 0 BGADHN Cc1noc(C)c1CN1C[C@H]2CCCCC[C@@H]21 ZINC000374546769 387467476 /nfs/dbraw/zinc/46/74/76/387467476.db2.gz BFZSKGRWOPASMR-OCCSQVGLSA-N 0 3 234.343 3.056 20 0 BGADHN Cc1noc(C)c1CN1C[C@H]2CCCCC[C@H]21 ZINC000374546770 180471253 /nfs/dbraw/zinc/47/12/53/180471253.db2.gz BFZSKGRWOPASMR-TZMCWYRMSA-N 0 3 234.343 3.056 20 0 BGADHN CC(C)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000374572811 192015878 /nfs/dbraw/zinc/01/58/78/192015878.db2.gz XEKDPIJAKPEXEB-JTQLQIEISA-N 0 3 235.293 3.449 20 0 BGADHN CC(C)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000374572812 188076054 /nfs/dbraw/zinc/07/60/54/188076054.db2.gz XEKDPIJAKPEXEB-SNVBAGLBSA-N 0 3 235.293 3.449 20 0 BGADHN CCCCN1CCC(=Cc2cc(C)on2)CC1 ZINC000374576770 384737060 /nfs/dbraw/zinc/73/70/60/384737060.db2.gz QEIBXIYWNDYIAD-UHFFFAOYSA-N 0 3 234.343 3.262 20 0 BGADHN Cc1ccccc1C1=CCN(CCCF)CC1 ZINC000374616047 179254776 /nfs/dbraw/zinc/25/47/76/179254776.db2.gz ZZCJQQNGSGGHIR-UHFFFAOYSA-N 0 3 233.330 3.444 20 0 BGADHN CC1=C(c2ccco2)CN(C2CCC2)CC1 ZINC000374618670 168087812 /nfs/dbraw/zinc/08/78/12/168087812.db2.gz HZKRYBUSPHKWGC-UHFFFAOYSA-N 0 3 217.312 3.311 20 0 BGADHN CC1=C(c2ccco2)CN(CCOC(C)C)CC1 ZINC000374619393 168089516 /nfs/dbraw/zinc/08/95/16/168089516.db2.gz NWRIWTXNZGGDDX-UHFFFAOYSA-N 0 3 249.354 3.184 20 0 BGADHN CSCCN1CCC(C)=C(c2ccco2)C1 ZINC000374619456 387474014 /nfs/dbraw/zinc/47/40/14/387474014.db2.gz OJIVNXDOZQVJLK-UHFFFAOYSA-N 0 3 237.368 3.122 20 0 BGADHN CC(=O)CCN1CCC[C@H]1/C=C/c1ccccc1 ZINC000374725050 187388130 /nfs/dbraw/zinc/38/81/30/187388130.db2.gz CQKBOQVLEZHGIS-SCOAYWHSSA-N 0 3 243.350 3.143 20 0 BGADHN CC(=O)CCN1CCC[C@@H]1/C=C/c1ccccc1 ZINC000374725051 387488436 /nfs/dbraw/zinc/48/84/36/387488436.db2.gz CQKBOQVLEZHGIS-ZNFPLGDCSA-N 0 3 243.350 3.143 20 0 BGADHN CC(C)=CCN1CC=C(c2cncc(F)c2)CC1 ZINC000374797735 187387788 /nfs/dbraw/zinc/38/77/88/187387788.db2.gz FXLMNZDSDRJTPZ-UHFFFAOYSA-N 0 3 246.329 3.276 20 0 BGADHN c1cncc(C2=CCN([C@H]3C=CCCC3)CC2)c1 ZINC000374881961 387496209 /nfs/dbraw/zinc/49/62/09/387496209.db2.gz OURYSNMZEUZXDP-INIZCTEOSA-N 0 3 240.350 3.279 20 0 BGADHN c1cncc(C2=CCN([C@@H]3C=CCCC3)CC2)c1 ZINC000374881963 387496598 /nfs/dbraw/zinc/49/65/98/387496598.db2.gz OURYSNMZEUZXDP-MRXNPFEDSA-N 0 3 240.350 3.279 20 0 BGADHN CC(C)=CCN1CC=C(c2cccnc2)CC1 ZINC000374903281 387498962 /nfs/dbraw/zinc/49/89/62/387498962.db2.gz ZIZSDBQWHUUODD-UHFFFAOYSA-N 0 3 228.339 3.137 20 0 BGADHN CC(C)N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000374997837 188075954 /nfs/dbraw/zinc/07/59/54/188075954.db2.gz KUVJQYQRNLZJEU-UHFFFAOYSA-N 0 3 236.746 3.233 20 0 BGADHN CCCCN1CC=C(c2cnccc2C)CC1 ZINC000375001899 387504818 /nfs/dbraw/zinc/50/48/18/387504818.db2.gz AQBHVPIVSZKSTC-UHFFFAOYSA-N 0 3 230.355 3.279 20 0 BGADHN CCC[C@@H](C)CNCc1nc(C)n2c1CCCC2 ZINC000375066700 169360121 /nfs/dbraw/zinc/36/01/21/169360121.db2.gz STLINPFPELMMCA-GFCCVEGCSA-N 0 3 249.402 3.054 20 0 BGADHN CCC[C@H](C)CNCc1nc(C)n2c1CCCC2 ZINC000375066701 387509604 /nfs/dbraw/zinc/50/96/04/387509604.db2.gz STLINPFPELMMCA-LBPRGKRZSA-N 0 3 249.402 3.054 20 0 BGADHN CC(=O)CCN1CCC[C@@H]1/C=C/c1cccs1 ZINC000375185132 187224283 /nfs/dbraw/zinc/22/42/83/187224283.db2.gz WHAYHGUWVNVMNW-KTRBRXNASA-N 0 3 249.379 3.205 20 0 BGADHN CC(=O)CCN1CCC[C@H]1/C=C/c1cccs1 ZINC000375185133 387516701 /nfs/dbraw/zinc/51/67/01/387516701.db2.gz WHAYHGUWVNVMNW-YBJDMEARSA-N 0 3 249.379 3.205 20 0 BGADHN CO[C@@H]1[C@H](C)[C@@H](N[C@H](C)c2ccoc2)C12CCC2 ZINC000375198590 387515485 /nfs/dbraw/zinc/51/54/85/387515485.db2.gz XHQGVPYSNSXJTF-HBJVGIJOSA-N 0 3 249.354 3.134 20 0 BGADHN CO[C@@H]1[C@H](C)[C@H](N[C@H](C)c2ccoc2)C12CCC2 ZINC000375198598 387516562 /nfs/dbraw/zinc/51/65/62/387516562.db2.gz XHQGVPYSNSXJTF-MHDGFBEUSA-N 0 3 249.354 3.134 20 0 BGADHN CO[C@@H]1[C@H](C)[C@H](N[C@@H](C)c2ccoc2)C12CCC2 ZINC000375198599 387515302 /nfs/dbraw/zinc/51/53/02/387515302.db2.gz XHQGVPYSNSXJTF-UVLXDEKHSA-N 0 3 249.354 3.134 20 0 BGADHN CO[C@@H]1[C@H](C)[C@@H](N[C@@H](C)c2ccoc2)C12CCC2 ZINC000375198601 387517465 /nfs/dbraw/zinc/51/74/65/387517465.db2.gz XHQGVPYSNSXJTF-ZMJPVWNMSA-N 0 3 249.354 3.134 20 0 BGADHN Fc1ccc(CN[C@H]2C[C@H]2C2CCCCC2)cn1 ZINC000375311648 387527170 /nfs/dbraw/zinc/52/71/70/387527170.db2.gz XOFKXEVUKYCOCY-KBPBESRZSA-N 0 3 248.345 3.279 20 0 BGADHN Fc1ccc(CN[C@H]2C[C@@H]2C2CCCCC2)cn1 ZINC000375311649 387528032 /nfs/dbraw/zinc/52/80/32/387528032.db2.gz XOFKXEVUKYCOCY-KGLIPLIRSA-N 0 3 248.345 3.279 20 0 BGADHN Fc1ccc(CN[C@@H]2C[C@H]2C2CCCCC2)cn1 ZINC000375311650 387527367 /nfs/dbraw/zinc/52/73/67/387527367.db2.gz XOFKXEVUKYCOCY-UONOGXRCSA-N 0 3 248.345 3.279 20 0 BGADHN Fc1ccc(CN[C@@H]2C[C@@H]2C2CCCCC2)cn1 ZINC000375311651 180970726 /nfs/dbraw/zinc/97/07/26/180970726.db2.gz XOFKXEVUKYCOCY-ZIAGYGMSSA-N 0 3 248.345 3.279 20 0 BGADHN CC1(C)CC[C@@H](N2CCC[C@H]2c2ncc[nH]2)C1 ZINC000375353652 357178341 /nfs/dbraw/zinc/17/83/41/357178341.db2.gz CVLWCQFKUXRSJX-NEPJUHHUSA-N 0 3 233.359 3.125 20 0 BGADHN CC1(C)CC[C@H](N2CCC[C@@H]2c2ncc[nH]2)C1 ZINC000375353653 187224917 /nfs/dbraw/zinc/22/49/17/187224917.db2.gz CVLWCQFKUXRSJX-NWDGAFQWSA-N 0 3 233.359 3.125 20 0 BGADHN CC1(C)CC[C@H](N2CCC[C@H]2c2ncc[nH]2)C1 ZINC000375353654 387532500 /nfs/dbraw/zinc/53/25/00/387532500.db2.gz CVLWCQFKUXRSJX-RYUDHWBXSA-N 0 3 233.359 3.125 20 0 BGADHN CC1(C)CC[C@@H](N2CCC[C@@H]2c2ncc[nH]2)C1 ZINC000375353655 357178503 /nfs/dbraw/zinc/17/85/03/357178503.db2.gz CVLWCQFKUXRSJX-VXGBXAGGSA-N 0 3 233.359 3.125 20 0 BGADHN CC(C)=CCN1CCC(F)(c2cccnc2)CC1 ZINC000375360533 188250510 /nfs/dbraw/zinc/25/05/10/188250510.db2.gz INZLWYAYIVSYAL-UHFFFAOYSA-N 0 3 248.345 3.308 20 0 BGADHN Cc1n[nH]cc1C1CCN([C@H]2C=CCCC2)CC1 ZINC000375384533 387537258 /nfs/dbraw/zinc/53/72/58/387537258.db2.gz OEPSAVKNMAGACJ-AWEZNQCLSA-N 0 3 245.370 3.006 20 0 BGADHN Cc1n[nH]cc1C1CCN([C@@H]2C=CCCC2)CC1 ZINC000375384534 387536850 /nfs/dbraw/zinc/53/68/50/387536850.db2.gz OEPSAVKNMAGACJ-CQSZACIVSA-N 0 3 245.370 3.006 20 0 BGADHN CCN1Cc2ccccc2SC[C@@H]1C ZINC000375394841 170041133 /nfs/dbraw/zinc/04/11/33/170041133.db2.gz VMCSPUSFXGZKTJ-JTQLQIEISA-N 0 3 207.342 3.003 20 0 BGADHN CCN1Cc2ccccc2SC[C@H]1C ZINC000375394843 170040678 /nfs/dbraw/zinc/04/06/78/170040678.db2.gz VMCSPUSFXGZKTJ-SNVBAGLBSA-N 0 3 207.342 3.003 20 0 BGADHN CCC(=O)CCN(C)C1CC(c2ccccc2)C1 ZINC000375423912 168200172 /nfs/dbraw/zinc/20/01/72/168200172.db2.gz CCECECCFYOBKKW-UHFFFAOYSA-N 0 3 245.366 3.234 20 0 BGADHN c1cc([C@@H]2CCCCN2CC2CCCC2)n[nH]1 ZINC000375617744 183361336 /nfs/dbraw/zinc/36/13/36/183361336.db2.gz PFUBRVJUPMMKMK-AWEZNQCLSA-N 0 3 233.359 3.127 20 0 BGADHN c1cc([C@H]2CCCCN2CC2CCCC2)n[nH]1 ZINC000375617745 183362894 /nfs/dbraw/zinc/36/28/94/183362894.db2.gz PFUBRVJUPMMKMK-CQSZACIVSA-N 0 3 233.359 3.127 20 0 BGADHN CC(C)C[C@H](C)CN1CCC[C@H]1c1nccn1C ZINC000375620345 387559423 /nfs/dbraw/zinc/55/94/23/387559423.db2.gz JIGFVJOIQIAMOT-KBPBESRZSA-N 0 3 249.402 3.239 20 0 BGADHN CC(C)C[C@@H](C)CN1CCC[C@H]1c1nccn1C ZINC000375620346 187225210 /nfs/dbraw/zinc/22/52/10/187225210.db2.gz JIGFVJOIQIAMOT-KGLIPLIRSA-N 0 3 249.402 3.239 20 0 BGADHN CC(C)C[C@H](C)CN1CCC[C@@H]1c1nccn1C ZINC000375620347 187388554 /nfs/dbraw/zinc/38/85/54/187388554.db2.gz JIGFVJOIQIAMOT-UONOGXRCSA-N 0 3 249.402 3.239 20 0 BGADHN CC(C)C[C@@H](C)CN1CCC[C@@H]1c1nccn1C ZINC000375620348 188077448 /nfs/dbraw/zinc/07/74/48/188077448.db2.gz JIGFVJOIQIAMOT-ZIAGYGMSSA-N 0 3 249.402 3.239 20 0 BGADHN CCCCCN1CCCC[C@@H]1c1cc[nH]n1 ZINC000375628717 387561032 /nfs/dbraw/zinc/56/10/32/387561032.db2.gz DMAMGENNNFAXFF-CYBMUJFWSA-N 0 3 221.348 3.127 20 0 BGADHN CCCCCN1CCCC[C@H]1c1cc[nH]n1 ZINC000375628718 387560730 /nfs/dbraw/zinc/56/07/30/387560730.db2.gz DMAMGENNNFAXFF-ZDUSSCGKSA-N 0 3 221.348 3.127 20 0 BGADHN CC(C)(C)CCN1CCCC[C@@H]1c1cc[nH]n1 ZINC000375629385 387561748 /nfs/dbraw/zinc/56/17/48/387561748.db2.gz HRYKSIJDNXWGTI-CYBMUJFWSA-N 0 3 235.375 3.373 20 0 BGADHN CC(C)(C)CCN1CCCC[C@H]1c1cc[nH]n1 ZINC000375629388 387561423 /nfs/dbraw/zinc/56/14/23/387561423.db2.gz HRYKSIJDNXWGTI-ZDUSSCGKSA-N 0 3 235.375 3.373 20 0 BGADHN C[C@@H](NCCF)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000375629590 384794698 /nfs/dbraw/zinc/79/46/98/384794698.db2.gz RAWUJNDZDYOMDS-HRDYMLBCSA-N 0 3 247.766 3.453 20 0 BGADHN C[C@H](NCCF)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000375629593 384794679 /nfs/dbraw/zinc/79/46/79/384794679.db2.gz RAWUJNDZDYOMDS-XHNCKOQMSA-N 0 3 247.766 3.453 20 0 BGADHN C[C@H](F)CCN(C)[C@H]1CCCc2cccnc21 ZINC000375666871 387564831 /nfs/dbraw/zinc/56/48/31/387564831.db2.gz XXBSOXQTQMQAJS-AAEUAGOBSA-N 0 3 236.334 3.139 20 0 BGADHN C[C@@H](F)CCN(C)[C@@H]1CCCc2cccnc21 ZINC000375666872 387564785 /nfs/dbraw/zinc/56/47/85/387564785.db2.gz XXBSOXQTQMQAJS-DGCLKSJQSA-N 0 3 236.334 3.139 20 0 BGADHN C[C@H](F)CCN(C)[C@@H]1CCCc2cccnc21 ZINC000375666874 387564772 /nfs/dbraw/zinc/56/47/72/387564772.db2.gz XXBSOXQTQMQAJS-WCQYABFASA-N 0 3 236.334 3.139 20 0 BGADHN C[C@@H](F)CCN(C)[C@H]1CCCc2cccnc21 ZINC000375666875 387565465 /nfs/dbraw/zinc/56/54/65/387565465.db2.gz XXBSOXQTQMQAJS-YPMHNXCESA-N 0 3 236.334 3.139 20 0 BGADHN FCCCN1Cc2ccccc2C2(CCC2)C1 ZINC000375685811 387567553 /nfs/dbraw/zinc/56/75/53/387567553.db2.gz VKFNBDDYGNYOTB-UHFFFAOYSA-N 0 3 233.330 3.284 20 0 BGADHN Cc1ccncc1C1=CCN(CCCCF)CC1 ZINC000375686283 387568025 /nfs/dbraw/zinc/56/80/25/387568025.db2.gz BGRCQHJFNLZJSX-UHFFFAOYSA-N 0 3 248.345 3.229 20 0 BGADHN Cc1ccncc1C1=CCN(CC[C@@H](C)F)CC1 ZINC000375686876 387568046 /nfs/dbraw/zinc/56/80/46/387568046.db2.gz GFMCOBGLESKWNR-CYBMUJFWSA-N 0 3 248.345 3.227 20 0 BGADHN Cc1ccncc1C1=CCN(CC[C@H](C)F)CC1 ZINC000375686877 387567482 /nfs/dbraw/zinc/56/74/82/387567482.db2.gz GFMCOBGLESKWNR-ZDUSSCGKSA-N 0 3 248.345 3.227 20 0 BGADHN CC(C)n1nccc1CN1CCCC2(CCC2)C1 ZINC000375690144 387567109 /nfs/dbraw/zinc/56/71/09/387567109.db2.gz GMUMXQVJAJBVTL-UHFFFAOYSA-N 0 3 247.386 3.230 20 0 BGADHN CC(C)n1cc(CN2CCCC3(CCC3)C2)cn1 ZINC000375693722 384079844 /nfs/dbraw/zinc/07/98/44/384079844.db2.gz RIIXKVINNHGFDR-UHFFFAOYSA-N 0 3 247.386 3.230 20 0 BGADHN COc1cccc(CN2CCCC23CCC3)c1F ZINC000375706241 175256435 /nfs/dbraw/zinc/25/64/35/175256435.db2.gz IYDPPOUYIDOGDO-UHFFFAOYSA-N 0 3 249.329 3.353 20 0 BGADHN c1c[nH]c([C@@H](NCCC2CC2)C2CCCCC2)n1 ZINC000375800804 183327120 /nfs/dbraw/zinc/32/71/20/183327120.db2.gz DYLRDGOEWMVADJ-AWEZNQCLSA-N 0 3 247.386 3.421 20 0 BGADHN c1c[nH]c([C@H](NCCC2CC2)C2CCCCC2)n1 ZINC000375800805 183327460 /nfs/dbraw/zinc/32/74/60/183327460.db2.gz DYLRDGOEWMVADJ-CQSZACIVSA-N 0 3 247.386 3.421 20 0 BGADHN CC[C@@]1(C)C[C@H]1C(=O)N1CCC2(CCC2)CC1 ZINC000375817483 171207051 /nfs/dbraw/zinc/20/70/51/171207051.db2.gz FIROQWCUDZJWHG-JSGCOSHPSA-N 0 3 235.371 3.215 20 0 BGADHN Cc1ccncc1C1=CCN(CC(C)C)CC1 ZINC000375831749 387586008 /nfs/dbraw/zinc/58/60/08/387586008.db2.gz OOJTWDCFQJUYTE-UHFFFAOYSA-N 0 3 230.355 3.135 20 0 BGADHN c1ccc(CN2C[C@@H]3CCCCCC[C@H]32)nc1 ZINC000375844256 387588244 /nfs/dbraw/zinc/58/82/44/387588244.db2.gz CNJQMTANQHUKAZ-DZGCQCFKSA-N 0 3 230.355 3.236 20 0 BGADHN c1ccc(CN2C[C@H]3CCCCCC[C@@H]32)nc1 ZINC000375844258 387587057 /nfs/dbraw/zinc/58/70/57/387587057.db2.gz CNJQMTANQHUKAZ-HIFRSBDPSA-N 0 3 230.355 3.236 20 0 BGADHN c1ccc(CN2C[C@H]3CCCCCC[C@H]32)nc1 ZINC000375844260 387587536 /nfs/dbraw/zinc/58/75/36/387587536.db2.gz CNJQMTANQHUKAZ-UKRRQHHQSA-N 0 3 230.355 3.236 20 0 BGADHN c1ccc(CN2C[C@@H]3CCCCCC[C@@H]32)nc1 ZINC000375844262 387587528 /nfs/dbraw/zinc/58/75/28/387587528.db2.gz CNJQMTANQHUKAZ-ZFWWWQNUSA-N 0 3 230.355 3.236 20 0 BGADHN CCC(CC)CN(C)Cc1cn2c(n1)CCCC2 ZINC000375930695 168346785 /nfs/dbraw/zinc/34/67/85/168346785.db2.gz IPLWZDVVRRIPKY-UHFFFAOYSA-N 0 3 249.402 3.087 20 0 BGADHN CCc1ccc(CN2CCC[C@H]3OCC[C@H]32)cc1 ZINC000376004272 387601426 /nfs/dbraw/zinc/60/14/26/387601426.db2.gz BHNUMGOGXDWWEA-HZPDHXFCSA-N 0 3 245.366 3.002 20 0 BGADHN Cc1ccc(CN2CCC[C@H]3OCC[C@H]32)c(C)c1 ZINC000376007389 387600149 /nfs/dbraw/zinc/60/01/49/387600149.db2.gz NJETVZILRHYVNI-HZPDHXFCSA-N 0 3 245.366 3.057 20 0 BGADHN Cc1ccc(CN2CCC[C@H]3OCC[C@H]32)cc1C ZINC000376007405 387600662 /nfs/dbraw/zinc/60/06/62/387600662.db2.gz NOKQMPXIVVPLCG-HZPDHXFCSA-N 0 3 245.366 3.057 20 0 BGADHN CCc1ccccc1CN1CCC[C@H]2OCC[C@H]21 ZINC000376016397 387600504 /nfs/dbraw/zinc/60/05/04/387600504.db2.gz WZWCAQFTMLGOQR-HZPDHXFCSA-N 0 3 245.366 3.002 20 0 BGADHN c1cc(CN2CC[C@H](CC3CCCC3)C2)on1 ZINC000376065266 183346985 /nfs/dbraw/zinc/34/69/85/183346985.db2.gz DTFQWXJWHQTVQE-CYBMUJFWSA-N 0 3 234.343 3.077 20 0 BGADHN c1cc(CN2CC[C@@H](CC3CCCC3)C2)on1 ZINC000376065267 183346584 /nfs/dbraw/zinc/34/65/84/183346584.db2.gz DTFQWXJWHQTVQE-ZDUSSCGKSA-N 0 3 234.343 3.077 20 0 BGADHN CC(C)n1nccc1CN1CCC2(CCCC2)C1 ZINC000376100251 387607013 /nfs/dbraw/zinc/60/70/13/387607013.db2.gz XAFMNBBNGMEJTG-UHFFFAOYSA-N 0 3 247.386 3.230 20 0 BGADHN CCC[C@@H](CC)NCc1nc(C)n2c1CCCC2 ZINC000376165299 169379393 /nfs/dbraw/zinc/37/93/93/169379393.db2.gz YLSUQSZAMOFDLG-CYBMUJFWSA-N 0 3 249.402 3.196 20 0 BGADHN CCC[C@H](CC)NCc1nc(C)n2c1CCCC2 ZINC000376165300 387612327 /nfs/dbraw/zinc/61/23/27/387612327.db2.gz YLSUQSZAMOFDLG-ZDUSSCGKSA-N 0 3 249.402 3.196 20 0 BGADHN C[C@@H]1CC2(CCC2)CN1Cc1cnoc1C1CC1 ZINC000376429867 176057907 /nfs/dbraw/zinc/05/79/07/176057907.db2.gz VPMXALQTNHKREM-LLVKDONJSA-N 0 3 246.354 3.317 20 0 BGADHN C[C@H]1CC2(CCC2)CN1Cc1cnoc1C1CC1 ZINC000376429868 177068154 /nfs/dbraw/zinc/06/81/54/177068154.db2.gz VPMXALQTNHKREM-NSHDSACASA-N 0 3 246.354 3.317 20 0 BGADHN CCC1CCC(N[C@H]2CCCc3c[nH]nc32)CC1 ZINC000376489722 387641360 /nfs/dbraw/zinc/64/13/60/387641360.db2.gz DZDCIHDEJCSHLS-UBHUBRDASA-N 0 3 247.386 3.346 20 0 BGADHN CCC1CCC(N[C@@H]2CCCc3c[nH]nc32)CC1 ZINC000376489723 387642074 /nfs/dbraw/zinc/64/20/74/387642074.db2.gz DZDCIHDEJCSHLS-UXUKBGGZSA-N 0 3 247.386 3.346 20 0 BGADHN C/C(=C\c1ccccc1)CN1CCOC[C@@H](C)C1 ZINC000376493849 387642340 /nfs/dbraw/zinc/64/23/40/387642340.db2.gz BLWHKRMTRPJETK-IPJDOKCGSA-N 0 3 245.366 3.058 20 0 BGADHN C/C(=C\c1ccccc1)CN1CCOC[C@H](C)C1 ZINC000376493850 387642030 /nfs/dbraw/zinc/64/20/30/387642030.db2.gz BLWHKRMTRPJETK-YVGNARHYSA-N 0 3 245.366 3.058 20 0 BGADHN CC(C)n1nccc1CN1C[C@@H]2CCCCC[C@H]21 ZINC000376567496 387653443 /nfs/dbraw/zinc/65/34/43/387653443.db2.gz WRSNUKLFWOOSRE-DZGCQCFKSA-N 0 3 247.386 3.229 20 0 BGADHN CC(C)n1nccc1CN1C[C@H]2CCCCC[C@@H]21 ZINC000376567497 387652304 /nfs/dbraw/zinc/65/23/04/387652304.db2.gz WRSNUKLFWOOSRE-HIFRSBDPSA-N 0 3 247.386 3.229 20 0 BGADHN CC(C)n1nccc1CN1C[C@H]2CCCCC[C@H]21 ZINC000376567498 387653517 /nfs/dbraw/zinc/65/35/17/387653517.db2.gz WRSNUKLFWOOSRE-UKRRQHHQSA-N 0 3 247.386 3.229 20 0 BGADHN CC(C)n1nccc1CN1C[C@@H]2CCCCC[C@@H]21 ZINC000376567499 387652637 /nfs/dbraw/zinc/65/26/37/387652637.db2.gz WRSNUKLFWOOSRE-ZFWWWQNUSA-N 0 3 247.386 3.229 20 0 BGADHN Cc1cncc(CN2C[C@H]3CCCCC[C@@H]32)c1 ZINC000377032334 387687601 /nfs/dbraw/zinc/68/76/01/387687601.db2.gz UGHPANNNWDWVKC-CABCVRRESA-N 0 3 230.355 3.155 20 0 BGADHN Cc1cncc(CN2C[C@@H]3CCCCC[C@@H]32)c1 ZINC000377032335 387687274 /nfs/dbraw/zinc/68/72/74/387687274.db2.gz UGHPANNNWDWVKC-GJZGRUSLSA-N 0 3 230.355 3.155 20 0 BGADHN Cc1cncc(CN2C[C@H]3CCCCC[C@H]32)c1 ZINC000377032336 387686752 /nfs/dbraw/zinc/68/67/52/387686752.db2.gz UGHPANNNWDWVKC-HUUCEWRRSA-N 0 3 230.355 3.155 20 0 BGADHN Cc1cncc(CN2C[C@@H]3CCCCC[C@H]32)c1 ZINC000377032338 387687428 /nfs/dbraw/zinc/68/74/28/387687428.db2.gz UGHPANNNWDWVKC-LSDHHAIUSA-N 0 3 230.355 3.155 20 0 BGADHN c1nc(CN2CCCC23CCCC3)cs1 ZINC000377047537 387689027 /nfs/dbraw/zinc/68/90/27/387689027.db2.gz PXWUNGMVXPBMAC-UHFFFAOYSA-N 0 3 222.357 3.052 20 0 BGADHN CC(C)Cn1cc(CN2CCCC23CCC3)cn1 ZINC000377200855 411367618 /nfs/dbraw/zinc/36/76/18/411367618.db2.gz BBQQMSWVLZPECQ-UHFFFAOYSA-N 0 3 247.386 3.058 20 0 BGADHN CC[C@@H]1CCC[C@@H](N[C@H]2CCCc3c[nH]nc32)C1 ZINC000377249871 357229006 /nfs/dbraw/zinc/22/90/06/357229006.db2.gz LTZJADDYAZDIBQ-BNOWGMLFSA-N 0 3 247.386 3.346 20 0 BGADHN CC[C@@H]1CCC[C@H](N[C@@H]2CCCc3c[nH]nc32)C1 ZINC000377249872 357228996 /nfs/dbraw/zinc/22/89/96/357228996.db2.gz LTZJADDYAZDIBQ-KWCYVHTRSA-N 0 3 247.386 3.346 20 0 BGADHN CC[C@@H]1CCC[C@@H](N[C@@H]2CCCc3c[nH]nc32)C1 ZINC000377249873 357228908 /nfs/dbraw/zinc/22/89/08/357228908.db2.gz LTZJADDYAZDIBQ-MRVWCRGKSA-N 0 3 247.386 3.346 20 0 BGADHN CC[C@@H]1CCC[C@H](N[C@H]2CCCc3c[nH]nc32)C1 ZINC000377249874 357229055 /nfs/dbraw/zinc/22/90/55/357229055.db2.gz LTZJADDYAZDIBQ-XBFCOCLRSA-N 0 3 247.386 3.346 20 0 BGADHN CCCCC[C@H](C)N[C@H]1CCCc2c[nH]nc21 ZINC000377256212 387704690 /nfs/dbraw/zinc/70/46/90/387704690.db2.gz ZZZJADDFVXRQFE-AAEUAGOBSA-N 0 3 235.375 3.346 20 0 BGADHN CCCCC[C@@H](C)N[C@@H]1CCCc2c[nH]nc21 ZINC000377256213 387705823 /nfs/dbraw/zinc/70/58/23/387705823.db2.gz ZZZJADDFVXRQFE-DGCLKSJQSA-N 0 3 235.375 3.346 20 0 BGADHN CCCCC[C@H](C)N[C@@H]1CCCc2c[nH]nc21 ZINC000377256214 387704225 /nfs/dbraw/zinc/70/42/25/387704225.db2.gz ZZZJADDFVXRQFE-WCQYABFASA-N 0 3 235.375 3.346 20 0 BGADHN CCCCC[C@@H](C)N[C@H]1CCCc2c[nH]nc21 ZINC000377256215 387705526 /nfs/dbraw/zinc/70/55/26/387705526.db2.gz ZZZJADDFVXRQFE-YPMHNXCESA-N 0 3 235.375 3.346 20 0 BGADHN COc1cccc2c1OCC[C@H]2NCC=C(C)C ZINC000377307545 175303871 /nfs/dbraw/zinc/30/38/71/175303871.db2.gz JNWJRWDVJNHEKM-CYBMUJFWSA-N 0 3 247.338 3.075 20 0 BGADHN COc1cccc2c1OCC[C@@H]2NCC=C(C)C ZINC000377307551 175304487 /nfs/dbraw/zinc/30/44/87/175304487.db2.gz JNWJRWDVJNHEKM-ZDUSSCGKSA-N 0 3 247.338 3.075 20 0 BGADHN CC(C)CC[C@H](C)N[C@H]1CCCc2c[nH]nc21 ZINC000377385287 357232085 /nfs/dbraw/zinc/23/20/85/357232085.db2.gz DSKAPZIJLZNPCQ-AAEUAGOBSA-N 0 3 235.375 3.201 20 0 BGADHN CC(C)CC[C@@H](C)N[C@@H]1CCCc2c[nH]nc21 ZINC000377385294 387714543 /nfs/dbraw/zinc/71/45/43/387714543.db2.gz DSKAPZIJLZNPCQ-DGCLKSJQSA-N 0 3 235.375 3.201 20 0 BGADHN CC(C)CC[C@H](C)N[C@@H]1CCCc2c[nH]nc21 ZINC000377385295 357231569 /nfs/dbraw/zinc/23/15/69/357231569.db2.gz DSKAPZIJLZNPCQ-WCQYABFASA-N 0 3 235.375 3.201 20 0 BGADHN CC(C)CC[C@@H](C)N[C@H]1CCCc2c[nH]nc21 ZINC000377385296 387712875 /nfs/dbraw/zinc/71/28/75/387712875.db2.gz DSKAPZIJLZNPCQ-YPMHNXCESA-N 0 3 235.375 3.201 20 0 BGADHN CC1(C)CN(C/C=C/c2ccccc2)CCCO1 ZINC000377387309 357232701 /nfs/dbraw/zinc/23/27/01/357232701.db2.gz AWEYNMMEJYREFR-UXBLZVDNSA-N 0 3 245.366 3.201 20 0 BGADHN CC(C)=CCN[C@@H]1CCOc2c(F)cccc21 ZINC000377387453 188079092 /nfs/dbraw/zinc/07/90/92/188079092.db2.gz BLICMHYHHJXPLI-CYBMUJFWSA-N 0 3 235.302 3.205 20 0 BGADHN CCC[C@@H](C)CNCc1noc2c1CCCC2 ZINC000377407336 169359975 /nfs/dbraw/zinc/35/99/75/169359975.db2.gz LBQXJMNJBYPFFJ-LLVKDONJSA-N 0 3 236.359 3.079 20 0 BGADHN CCC[C@H](C)CNCc1noc2c1CCCC2 ZINC000377407337 387716819 /nfs/dbraw/zinc/71/68/19/387716819.db2.gz LBQXJMNJBYPFFJ-NSHDSACASA-N 0 3 236.359 3.079 20 0 BGADHN c1noc(C2CC2)c1CN1CCC[C@@H](C2CC2)C1 ZINC000377555272 387726614 /nfs/dbraw/zinc/72/66/14/387726614.db2.gz SDOUANHXFLRWDY-CYBMUJFWSA-N 0 3 246.354 3.174 20 0 BGADHN c1noc(C2CC2)c1CN1CCC[C@H](C2CC2)C1 ZINC000377555273 387726937 /nfs/dbraw/zinc/72/69/37/387726937.db2.gz SDOUANHXFLRWDY-ZDUSSCGKSA-N 0 3 246.354 3.174 20 0 BGADHN C[Si](C)(C)CN1CCC[C@H]1c1nccs1 ZINC000377619178 387734248 /nfs/dbraw/zinc/73/42/48/387734248.db2.gz HQBLECZXUWDEAW-JTQLQIEISA-N 0 3 240.448 3.157 20 0 BGADHN C[Si](C)(C)CN1CCC[C@@H]1c1nccs1 ZINC000377619185 387734452 /nfs/dbraw/zinc/73/44/52/387734452.db2.gz HQBLECZXUWDEAW-SNVBAGLBSA-N 0 3 240.448 3.157 20 0 BGADHN c1ccc(CN2CCC[C@@]3(CC=CCC3)C2)nc1 ZINC000377668458 192019412 /nfs/dbraw/zinc/01/94/12/192019412.db2.gz MZLHARMLNGQYNQ-INIZCTEOSA-N 0 3 242.366 3.404 20 0 BGADHN c1ccc(CN2CCC[C@]3(CC=CCC3)C2)nc1 ZINC000377668459 387735404 /nfs/dbraw/zinc/73/54/04/387735404.db2.gz MZLHARMLNGQYNQ-MRXNPFEDSA-N 0 3 242.366 3.404 20 0 BGADHN CC(C)n1cc(CN2CCC3(CCC3)CC2)cn1 ZINC000377703021 387739254 /nfs/dbraw/zinc/73/92/54/387739254.db2.gz QFJKENIUHAJOCJ-UHFFFAOYSA-N 0 3 247.386 3.230 20 0 BGADHN c1csc(CN2C[C@H]3CCCC[C@H]32)c1 ZINC000377785028 387749058 /nfs/dbraw/zinc/74/90/58/387749058.db2.gz YBSWZJFCTWYVRR-ZYHUDNBSSA-N 0 3 207.342 3.123 20 0 BGADHN CC(C)n1cc(CN2CCC[C@H](C3CC3)C2)cn1 ZINC000377883190 387754363 /nfs/dbraw/zinc/75/43/63/387754363.db2.gz IPQSRPDVRKLIFK-HNNXBMFYSA-N 0 3 247.386 3.086 20 0 BGADHN CC(C)n1cc(CN2CCC[C@@H](C3CC3)C2)cn1 ZINC000377883191 387753938 /nfs/dbraw/zinc/75/39/38/387753938.db2.gz IPQSRPDVRKLIFK-OAHLLOKOSA-N 0 3 247.386 3.086 20 0 BGADHN CCC[C@@H](CC)NCc1noc2c1CCCC2 ZINC000377883593 169379461 /nfs/dbraw/zinc/37/94/61/169379461.db2.gz KMEDPHCGCATCGJ-LLVKDONJSA-N 0 3 236.359 3.222 20 0 BGADHN CCC[C@H](CC)NCc1noc2c1CCCC2 ZINC000377883594 387754382 /nfs/dbraw/zinc/75/43/82/387754382.db2.gz KMEDPHCGCATCGJ-NSHDSACASA-N 0 3 236.359 3.222 20 0 BGADHN C[C@H](CCC1CC1)NCc1noc2c1CCCC2 ZINC000377884781 387754500 /nfs/dbraw/zinc/75/45/00/387754500.db2.gz PPKMNJVRRKWGFP-LLVKDONJSA-N 0 3 248.370 3.222 20 0 BGADHN C[C@@H](CCC1CC1)NCc1noc2c1CCCC2 ZINC000377884782 387755756 /nfs/dbraw/zinc/75/57/56/387755756.db2.gz PPKMNJVRRKWGFP-NSHDSACASA-N 0 3 248.370 3.222 20 0 BGADHN FCCCN1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000378169155 387768872 /nfs/dbraw/zinc/76/88/72/387768872.db2.gz NNRROSKEOBBDSJ-CYBMUJFWSA-N 0 3 243.272 3.461 20 0 BGADHN FCCCN1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000378169157 387770492 /nfs/dbraw/zinc/77/04/92/387770492.db2.gz NNRROSKEOBBDSJ-ZDUSSCGKSA-N 0 3 243.272 3.461 20 0 BGADHN Cc1ccncc1CN1C[C@@H]2CCCCC[C@H]21 ZINC000378250671 387773635 /nfs/dbraw/zinc/77/36/35/387773635.db2.gz AQDLWGCITGSPEW-DZGCQCFKSA-N 0 3 230.355 3.155 20 0 BGADHN Cc1ccncc1CN1C[C@H]2CCCCC[C@@H]21 ZINC000378250675 387773259 /nfs/dbraw/zinc/77/32/59/387773259.db2.gz AQDLWGCITGSPEW-HIFRSBDPSA-N 0 3 230.355 3.155 20 0 BGADHN Cc1ccncc1CN1C[C@H]2CCCCC[C@H]21 ZINC000378250677 387773626 /nfs/dbraw/zinc/77/36/26/387773626.db2.gz AQDLWGCITGSPEW-UKRRQHHQSA-N 0 3 230.355 3.155 20 0 BGADHN Cc1ccncc1CN1C[C@@H]2CCCCC[C@@H]21 ZINC000378250680 387773617 /nfs/dbraw/zinc/77/36/17/387773617.db2.gz AQDLWGCITGSPEW-ZFWWWQNUSA-N 0 3 230.355 3.155 20 0 BGADHN CC(C)=CCN1CCC(c2ccccn2)CC1 ZINC000378260705 187390068 /nfs/dbraw/zinc/39/00/68/187390068.db2.gz QQXXGDPRJBOVCC-UHFFFAOYSA-N 0 3 230.355 3.227 20 0 BGADHN Clc1cc(CN2CCC3(CC3)CC2)ccn1 ZINC000378325310 387776393 /nfs/dbraw/zinc/77/63/93/387776393.db2.gz DKTCCHUUOPPGRA-UHFFFAOYSA-N 0 3 236.746 3.111 20 0 BGADHN Clc1ccc(CN2CCC3(CC3)CC2)cn1 ZINC000378328761 387776740 /nfs/dbraw/zinc/77/67/40/387776740.db2.gz XFGYRTRLEXWYPT-UHFFFAOYSA-N 0 3 236.746 3.111 20 0 BGADHN CC(C)(C)CN1CCC[C@H]1c1nccs1 ZINC000378332015 387776466 /nfs/dbraw/zinc/77/64/66/387776466.db2.gz ACZVFMFQUBQPDC-JTQLQIEISA-N 0 3 224.373 3.326 20 0 BGADHN CC(C)(C)CN1CCC[C@@H]1c1nccs1 ZINC000378332016 387776723 /nfs/dbraw/zinc/77/67/23/387776723.db2.gz ACZVFMFQUBQPDC-SNVBAGLBSA-N 0 3 224.373 3.326 20 0 BGADHN c1ncc(CN2CCC3(C2)CCCCCC3)cn1 ZINC000378343506 387779557 /nfs/dbraw/zinc/77/95/57/387779557.db2.gz UWFFFLQUBVDPFP-UHFFFAOYSA-N 0 3 245.370 3.023 20 0 BGADHN Oc1cccc(CN2C[C@@H]3CCCCC[C@H]32)c1 ZINC000378345085 183289303 /nfs/dbraw/zinc/28/93/03/183289303.db2.gz HAGTXTBUJLLAQA-DZGCQCFKSA-N 0 3 231.339 3.157 20 0 BGADHN Oc1cccc(CN2C[C@H]3CCCCC[C@@H]32)c1 ZINC000378345086 183289079 /nfs/dbraw/zinc/28/90/79/183289079.db2.gz HAGTXTBUJLLAQA-HIFRSBDPSA-N 0 3 231.339 3.157 20 0 BGADHN Oc1cccc(CN2C[C@H]3CCCCC[C@H]32)c1 ZINC000378345087 183289495 /nfs/dbraw/zinc/28/94/95/183289495.db2.gz HAGTXTBUJLLAQA-UKRRQHHQSA-N 0 3 231.339 3.157 20 0 BGADHN Oc1cccc(CN2C[C@@H]3CCCCC[C@@H]32)c1 ZINC000378345088 183290513 /nfs/dbraw/zinc/29/05/13/183290513.db2.gz HAGTXTBUJLLAQA-ZFWWWQNUSA-N 0 3 231.339 3.157 20 0 BGADHN Cc1ncccc1CN1C[C@H]2CCCCC[C@@H]21 ZINC000378345973 180220796 /nfs/dbraw/zinc/22/07/96/180220796.db2.gz OLTLMFAQTZZDBX-CABCVRRESA-N 0 3 230.355 3.155 20 0 BGADHN Cc1ncccc1CN1C[C@@H]2CCCCC[C@@H]21 ZINC000378345974 180220088 /nfs/dbraw/zinc/22/00/88/180220088.db2.gz OLTLMFAQTZZDBX-GJZGRUSLSA-N 0 3 230.355 3.155 20 0 BGADHN Cc1ncccc1CN1C[C@H]2CCCCC[C@H]21 ZINC000378345975 180221522 /nfs/dbraw/zinc/22/15/22/180221522.db2.gz OLTLMFAQTZZDBX-HUUCEWRRSA-N 0 3 230.355 3.155 20 0 BGADHN Cc1ncccc1CN1C[C@@H]2CCCCC[C@H]21 ZINC000378345976 180220408 /nfs/dbraw/zinc/22/04/08/180220408.db2.gz OLTLMFAQTZZDBX-LSDHHAIUSA-N 0 3 230.355 3.155 20 0 BGADHN c1coc(CN2C[C@@H]3CCCCC[C@@H]32)c1 ZINC000378346199 183507576 /nfs/dbraw/zinc/50/75/76/183507576.db2.gz PSLIVUCMJIEMGT-AAEUAGOBSA-N 0 3 205.301 3.044 20 0 BGADHN c1coc(CN2C[C@H]3CCCCC[C@H]32)c1 ZINC000378346200 387779851 /nfs/dbraw/zinc/77/98/51/387779851.db2.gz PSLIVUCMJIEMGT-DGCLKSJQSA-N 0 3 205.301 3.044 20 0 BGADHN c1coc(CN2C[C@@H]3CCCCC[C@H]32)c1 ZINC000378346201 387778502 /nfs/dbraw/zinc/77/85/02/387778502.db2.gz PSLIVUCMJIEMGT-WCQYABFASA-N 0 3 205.301 3.044 20 0 BGADHN c1coc(CN2C[C@H]3CCCCC[C@@H]32)c1 ZINC000378346202 387779156 /nfs/dbraw/zinc/77/91/56/387779156.db2.gz PSLIVUCMJIEMGT-YPMHNXCESA-N 0 3 205.301 3.044 20 0 BGADHN Cc1ccc(CN2CCCOC(C)(C)C2)s1 ZINC000378346372 387778588 /nfs/dbraw/zinc/77/85/88/387778588.db2.gz QLPBSBLTJOUIQC-UHFFFAOYSA-N 0 3 239.384 3.057 20 0 BGADHN c1coc([C@@H]2CCN(Cc3ccsc3)C2)c1 ZINC000378346730 387779639 /nfs/dbraw/zinc/77/96/39/387779639.db2.gz SKRFIZSKPBUKNB-GFCCVEGCSA-N 0 3 233.336 3.331 20 0 BGADHN c1coc([C@H]2CCN(Cc3ccsc3)C2)c1 ZINC000378346732 387778998 /nfs/dbraw/zinc/77/89/98/387778998.db2.gz SKRFIZSKPBUKNB-LBPRGKRZSA-N 0 3 233.336 3.331 20 0 BGADHN c1coc(CN2CCC(c3ccccn3)CC2)c1 ZINC000378348209 183390563 /nfs/dbraw/zinc/39/05/63/183390563.db2.gz GAHKJXZHHZWDTA-UHFFFAOYSA-N 0 3 242.322 3.054 20 0 BGADHN CC(C)n1cc(CN2C[C@H]3CCCCC[C@@H]32)cn1 ZINC000378348778 387780253 /nfs/dbraw/zinc/78/02/53/387780253.db2.gz ZVSMOKTXHHZMPT-CABCVRRESA-N 0 3 247.386 3.229 20 0 BGADHN CC(C)n1cc(CN2C[C@@H]3CCCCC[C@@H]32)cn1 ZINC000378348779 384310232 /nfs/dbraw/zinc/31/02/32/384310232.db2.gz ZVSMOKTXHHZMPT-GJZGRUSLSA-N 0 3 247.386 3.229 20 0 BGADHN CC(C)n1cc(CN2C[C@H]3CCCCC[C@H]32)cn1 ZINC000378348783 384310058 /nfs/dbraw/zinc/31/00/58/384310058.db2.gz ZVSMOKTXHHZMPT-HUUCEWRRSA-N 0 3 247.386 3.229 20 0 BGADHN CC(C)n1cc(CN2C[C@@H]3CCCCC[C@H]32)cn1 ZINC000378348851 384311658 /nfs/dbraw/zinc/31/16/58/384311658.db2.gz ZVSMOKTXHHZMPT-LSDHHAIUSA-N 0 3 247.386 3.229 20 0 BGADHN Fc1ccc(CN2CCCC23CCCC3)cn1 ZINC000378349081 387779911 /nfs/dbraw/zinc/77/99/11/387779911.db2.gz IWUFGWZASOQTDT-UHFFFAOYSA-N 0 3 234.318 3.129 20 0 BGADHN Fc1cccc(C2=CCN(C3CCC3)CC2)c1 ZINC000378374803 387782128 /nfs/dbraw/zinc/78/21/28/387782128.db2.gz WLCDYKAMGOXOOI-UHFFFAOYSA-N 0 3 231.314 3.467 20 0 BGADHN CCCN1CC=C(c2ccc(Cl)nc2)CC1 ZINC000378396086 169185473 /nfs/dbraw/zinc/18/54/73/169185473.db2.gz NQQVZVPFEYUFJC-UHFFFAOYSA-N 0 3 236.746 3.234 20 0 BGADHN C[C@@H]1CCN(Cc2cccnc2)CC12CCC2 ZINC000378404519 176176130 /nfs/dbraw/zinc/17/61/30/176176130.db2.gz BBZPOKOVNAQXGJ-CYBMUJFWSA-N 0 3 230.355 3.094 20 0 BGADHN C[C@H]1CCN(Cc2cccnc2)CC12CCC2 ZINC000378404520 177165995 /nfs/dbraw/zinc/16/59/95/177165995.db2.gz BBZPOKOVNAQXGJ-ZDUSSCGKSA-N 0 3 230.355 3.094 20 0 BGADHN CC(C)N[C@H](c1ccncc1)c1ccc(F)cc1 ZINC000378455396 167140118 /nfs/dbraw/zinc/14/01/18/167140118.db2.gz MVWNSVQCAUUECF-HNNXBMFYSA-N 0 3 244.313 3.308 20 0 BGADHN CC(C)N[C@@H](c1ccncc1)c1ccc(F)cc1 ZINC000378455398 167135491 /nfs/dbraw/zinc/13/54/91/167135491.db2.gz MVWNSVQCAUUECF-OAHLLOKOSA-N 0 3 244.313 3.308 20 0 BGADHN C[C@H](CC1CC1)N[C@@H]1COc2cccc(F)c21 ZINC000378635473 387791422 /nfs/dbraw/zinc/79/14/22/387791422.db2.gz UTLZOHPCZRNHDZ-BXKDBHETSA-N 0 3 235.302 3.037 20 0 BGADHN C[C@@H](CC1CC1)N[C@H]1COc2cccc(F)c21 ZINC000378635474 387790562 /nfs/dbraw/zinc/79/05/62/387790562.db2.gz UTLZOHPCZRNHDZ-CABZTGNLSA-N 0 3 235.302 3.037 20 0 BGADHN C[C@@H](CC1CC1)N[C@@H]1COc2cccc(F)c21 ZINC000378635476 175657252 /nfs/dbraw/zinc/65/72/52/175657252.db2.gz UTLZOHPCZRNHDZ-JOYOIKCWSA-N 0 3 235.302 3.037 20 0 BGADHN C[C@H](CC1CC1)N[C@H]1COc2cccc(F)c21 ZINC000378635478 387791083 /nfs/dbraw/zinc/79/10/83/387791083.db2.gz UTLZOHPCZRNHDZ-SKDRFNHKSA-N 0 3 235.302 3.037 20 0 BGADHN C[C@@H](N[C@H]1C[C@@H]1C(F)F)c1ccc(F)cc1 ZINC000378661464 346799204 /nfs/dbraw/zinc/79/92/04/346799204.db2.gz BSYJAVKKDWFUEW-GGVZMXCHSA-N 0 3 229.245 3.130 20 0 BGADHN Clc1ccc(CN[C@H]2CCC[C@H]3C[C@H]32)o1 ZINC000378663258 488098561 /nfs/dbraw/zinc/09/85/61/488098561.db2.gz AZWCBEOBMSBBGP-GDPRMGEGSA-N 0 3 225.719 3.211 20 0 BGADHN Clc1ccc(CN[C@@H]2CCC[C@H]3C[C@H]32)o1 ZINC000378663259 388480138 /nfs/dbraw/zinc/48/01/38/388480138.db2.gz AZWCBEOBMSBBGP-JMJZKYOTSA-N 0 3 225.719 3.211 20 0 BGADHN Cc1cc([C@@H](C)N[C@H]2C[C@@H]2C(F)F)c(C)o1 ZINC000378664943 385458755 /nfs/dbraw/zinc/45/87/55/385458755.db2.gz FMSDPRKDNJWKAB-GGVZMXCHSA-N 0 3 229.270 3.201 20 0 BGADHN Cc1ccc([C@H](C)N[C@H]2C[C@@H]2C(F)F)cc1 ZINC000378666817 385457384 /nfs/dbraw/zinc/45/73/84/385457384.db2.gz GXOZDSNUYRGWNT-DLOVCJGASA-N 0 3 225.282 3.299 20 0 BGADHN Cc1ccc([C@@H](C)N[C@H]2C[C@@H]2C(F)F)cc1 ZINC000378666822 385457938 /nfs/dbraw/zinc/45/79/38/385457938.db2.gz GXOZDSNUYRGWNT-USWWRNFRSA-N 0 3 225.282 3.299 20 0 BGADHN Cc1cccc([C@H](C)N[C@H]2C[C@@H]2C(F)F)c1 ZINC000378667020 385457932 /nfs/dbraw/zinc/45/79/32/385457932.db2.gz GZUHBUMWMCMLDX-DLOVCJGASA-N 0 3 225.282 3.299 20 0 BGADHN Cc1cccc([C@@H](C)N[C@H]2C[C@@H]2C(F)F)c1 ZINC000378667021 385457923 /nfs/dbraw/zinc/45/79/23/385457923.db2.gz GZUHBUMWMCMLDX-USWWRNFRSA-N 0 3 225.282 3.299 20 0 BGADHN COc1ccsc1[C@@H](C)N[C@H]1C[C@@H]1C(F)F ZINC000378668166 346803490 /nfs/dbraw/zinc/80/34/90/346803490.db2.gz HXHIRUCFVKVCOY-CSMHCCOUSA-N 0 3 247.310 3.061 20 0 BGADHN C[C@H](N[C@@H]1CCCC[C@H]1F)c1ccncc1 ZINC000378669404 356643696 /nfs/dbraw/zinc/64/36/96/356643696.db2.gz IUZAKDOPGWOSOF-CYZMBNFOSA-N 0 3 222.307 3.013 20 0 BGADHN C[C@@H](N[C@@H]1CCCC[C@H]1F)c1ccncc1 ZINC000378669405 346804020 /nfs/dbraw/zinc/80/40/20/346804020.db2.gz IUZAKDOPGWOSOF-RAIGVLPGSA-N 0 3 222.307 3.013 20 0 BGADHN Clc1cnc(CN[C@@H]2CCC[C@H]3C[C@H]32)s1 ZINC000378670525 388481467 /nfs/dbraw/zinc/48/14/67/388481467.db2.gz JTGYHJJYGPJDHU-DJLDLDEBSA-N 0 3 242.775 3.075 20 0 BGADHN Clc1cnc(CN[C@H]2CCC[C@H]3C[C@H]32)s1 ZINC000378670526 712356834 /nfs/dbraw/zinc/35/68/34/712356834.db2.gz JTGYHJJYGPJDHU-YIZRAAEISA-N 0 3 242.775 3.075 20 0 BGADHN Cc1ccccc1CN[C@@H]1CCCC[C@H]1F ZINC000378678127 346804919 /nfs/dbraw/zinc/80/49/19/346804919.db2.gz RRSHSIJBPJDUKJ-ZIAGYGMSSA-N 0 3 221.319 3.365 20 0 BGADHN C[C@@H](N[C@H]1C[C@@H]1C(F)F)c1ccsc1 ZINC000378684797 346807979 /nfs/dbraw/zinc/80/79/79/346807979.db2.gz AGHWPZWOCXDTIB-YEPSODPASA-N 0 3 217.284 3.052 20 0 BGADHN FC(F)[C@H]1C[C@@H]1N[C@@H]1CCCc2sccc21 ZINC000378685053 346808668 /nfs/dbraw/zinc/80/86/68/346808668.db2.gz DMULLHPSTKNTDD-AEJSXWLSSA-N 0 3 243.322 3.369 20 0 BGADHN FC(F)[C@H]1C[C@@H]1N[C@H]1CCCc2sccc21 ZINC000378685057 346808499 /nfs/dbraw/zinc/80/84/99/346808499.db2.gz DMULLHPSTKNTDD-GUBZILKMSA-N 0 3 243.322 3.369 20 0 BGADHN Cc1cc(CN[C@H]2C[C@@H]2C(F)F)c(C)s1 ZINC000378699596 346810936 /nfs/dbraw/zinc/81/09/36/346810936.db2.gz ILTWPBMFEUBGCZ-UWVGGRQHSA-N 0 3 231.311 3.108 20 0 BGADHN COCC1(NCc2ccccc2C2CC2)CCC1 ZINC000378703826 538973504 /nfs/dbraw/zinc/97/35/04/538973504.db2.gz OQUVHJPXEWBPIT-UHFFFAOYSA-N 0 3 245.366 3.223 20 0 BGADHN Cc1cccc(CN[C@@H]2CCCC[C@H]2F)c1 ZINC000378727380 346817165 /nfs/dbraw/zinc/81/71/65/346817165.db2.gz JGWINCDHEYXFIX-ZIAGYGMSSA-N 0 3 221.319 3.365 20 0 BGADHN CC(C)[C@H]1C[C@@H](N[C@@H]2CCCC[C@H]2F)CS1 ZINC000378731030 346819969 /nfs/dbraw/zinc/81/99/69/346819969.db2.gz KXTQBWXMOYGQEN-FDYHWXHSSA-N 0 3 245.407 3.387 20 0 BGADHN CC(C)[C@@H]1C[C@H](N[C@@H]2CCCC[C@H]2F)CS1 ZINC000378731031 346819977 /nfs/dbraw/zinc/81/99/77/346819977.db2.gz KXTQBWXMOYGQEN-LOWDOPEQSA-N 0 3 245.407 3.387 20 0 BGADHN CC(C)[C@@H]1C[C@@H](N[C@@H]2CCCC[C@H]2F)CS1 ZINC000378731032 346819491 /nfs/dbraw/zinc/81/94/91/346819491.db2.gz KXTQBWXMOYGQEN-LPWJVIDDSA-N 0 3 245.407 3.387 20 0 BGADHN CC(C)[C@H]1C[C@H](N[C@@H]2CCCC[C@H]2F)CS1 ZINC000378731033 346819942 /nfs/dbraw/zinc/81/99/42/346819942.db2.gz KXTQBWXMOYGQEN-UMSGYPCISA-N 0 3 245.407 3.387 20 0 BGADHN Cc1ccc(C)c(CN[C@@H]2CCC[C@@H]2F)c1 ZINC000378739672 346819815 /nfs/dbraw/zinc/81/98/15/346819815.db2.gz HBAXCOXYBPYXJE-UONOGXRCSA-N 0 3 221.319 3.284 20 0 BGADHN C[C@H](Cc1ccsc1)N[C@@H]1CCC[C@@H]1F ZINC000378739756 346819875 /nfs/dbraw/zinc/81/98/75/346819875.db2.gz HBWZXXUXBWHGSU-ADEWGFFLSA-N 0 3 227.348 3.159 20 0 BGADHN C[C@@H](Cc1ccsc1)N[C@@H]1CCC[C@@H]1F ZINC000378739758 346819912 /nfs/dbraw/zinc/81/99/12/346819912.db2.gz HBWZXXUXBWHGSU-ZMLRMANQSA-N 0 3 227.348 3.159 20 0 BGADHN CC(C)C1(NCc2ccc(Cl)cn2)CC1 ZINC000378743550 397962509 /nfs/dbraw/zinc/96/25/09/397962509.db2.gz KHCVKZLVDBVLNP-UHFFFAOYSA-N 0 3 224.735 3.013 20 0 BGADHN CCc1ccc(CN[C@H]2CCC[C@H]2F)cc1 ZINC000378747452 371019163 /nfs/dbraw/zinc/01/91/63/371019163.db2.gz IYSBFLVRYXYLKX-KGLIPLIRSA-N 0 3 221.319 3.229 20 0 BGADHN CC[C@H](N[C@H]1C[C@@H]1C(F)F)c1cccs1 ZINC000378749190 346824106 /nfs/dbraw/zinc/82/41/06/346824106.db2.gz TVJUUCLUWNBKHN-CIUDSAMLSA-N 0 3 231.311 3.442 20 0 BGADHN CC[C@@H](N[C@H]1C[C@@H]1C(F)F)c1cccs1 ZINC000378749191 346823904 /nfs/dbraw/zinc/82/39/04/346823904.db2.gz TVJUUCLUWNBKHN-YIZRAAEISA-N 0 3 231.311 3.442 20 0 BGADHN CC[C@H]1CC[C@H](NCc2conc2C)CC1 ZINC000378766096 346829474 /nfs/dbraw/zinc/82/94/74/346829474.db2.gz CTZWTDIPENHAEG-AULYBMBSSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1ccccc1[C@H](C)N[C@H]1C[C@@H]1C(F)F ZINC000378769935 397829595 /nfs/dbraw/zinc/82/95/95/397829595.db2.gz FIFUDUPFPRPZMX-DLOVCJGASA-N 0 3 225.282 3.299 20 0 BGADHN Cc1ccccc1[C@@H](C)N[C@H]1C[C@@H]1C(F)F ZINC000378769936 397829608 /nfs/dbraw/zinc/82/96/08/397829608.db2.gz FIFUDUPFPRPZMX-USWWRNFRSA-N 0 3 225.282 3.299 20 0 BGADHN Cc1cc(Cl)ccc1CN[C@H]1C[C@@H]1C(F)F ZINC000378772945 346831412 /nfs/dbraw/zinc/83/14/12/346831412.db2.gz GLYPMMHMWXBGTE-QWRGUYRKSA-N 0 3 245.700 3.392 20 0 BGADHN CC[C@H]1CC[C@H](N[C@H](C)c2ncc[nH]2)CC1 ZINC000378774235 388500018 /nfs/dbraw/zinc/50/00/18/388500018.db2.gz HBUGHLDCIWMITE-IJLUTSLNSA-N 0 3 221.348 3.029 20 0 BGADHN CC[C@H]1CC[C@H](N[C@@H](C)c2ncc[nH]2)CC1 ZINC000378774237 388500026 /nfs/dbraw/zinc/50/00/26/388500026.db2.gz HBUGHLDCIWMITE-SRVKXCTJSA-N 0 3 221.348 3.029 20 0 BGADHN CCc1ccc(CN[C@H]2C[C@@H]2C(F)F)s1 ZINC000378776190 346830072 /nfs/dbraw/zinc/83/00/72/346830072.db2.gz HOMYBEIGDFKJRH-UWVGGRQHSA-N 0 3 231.311 3.054 20 0 BGADHN C[C@@H](N[C@@H]1CCC[C@@H]1F)c1ccccc1 ZINC000378781647 346833130 /nfs/dbraw/zinc/83/31/30/346833130.db2.gz FVPIUZNPWYEXQW-KGYLQXTDSA-N 0 3 207.292 3.228 20 0 BGADHN C[C@@H](N[C@H]1C[C@@H]1C(F)F)c1cccs1 ZINC000378785958 346832694 /nfs/dbraw/zinc/83/26/94/346832694.db2.gz LGDLOYAZRIAQRI-CSMHCCOUSA-N 0 3 217.284 3.052 20 0 BGADHN Cc1cc(C)cc(CN[C@H]2CCC[C@H]2F)c1 ZINC000378786164 345559491 /nfs/dbraw/zinc/55/94/91/345559491.db2.gz PFXXFKSWUCBTAC-KGLIPLIRSA-N 0 3 221.319 3.284 20 0 BGADHN Cc1ccc(CN[C@@H]2CCC[C@@H]2F)c(C)c1 ZINC000378818338 346840496 /nfs/dbraw/zinc/84/04/96/346840496.db2.gz CXTXYVMZQASFAO-UONOGXRCSA-N 0 3 221.319 3.284 20 0 BGADHN Cc1cc(CN[C@H]2CCC[C@H]2F)c(C)s1 ZINC000378819972 346842259 /nfs/dbraw/zinc/84/22/59/346842259.db2.gz DSAHTNAUAAUISQ-NEPJUHHUSA-N 0 3 227.348 3.345 20 0 BGADHN Cc1ccc(C)c(CN[C@H]2CCC[C@H]2F)c1 ZINC000378824875 371020542 /nfs/dbraw/zinc/02/05/42/371020542.db2.gz HBAXCOXYBPYXJE-KGLIPLIRSA-N 0 3 221.319 3.284 20 0 BGADHN CC[C@]1(NCc2cc3ccccc3o2)CCOC1 ZINC000378832901 538974536 /nfs/dbraw/zinc/97/45/36/538974536.db2.gz SYCZJRMJXSXKFB-HNNXBMFYSA-N 0 3 245.322 3.092 20 0 BGADHN CC[C@@]1(NCc2cc3ccccc3o2)CCOC1 ZINC000378832902 538974520 /nfs/dbraw/zinc/97/45/20/538974520.db2.gz SYCZJRMJXSXKFB-OAHLLOKOSA-N 0 3 245.322 3.092 20 0 BGADHN Cc1ccc(CN[C@H]2CCC[C@H]2F)cc1C ZINC000378837360 346843466 /nfs/dbraw/zinc/84/34/66/346843466.db2.gz NARSVAPJSCNGAZ-KGLIPLIRSA-N 0 3 221.319 3.284 20 0 BGADHN CC[C@]1(NCc2ccc([C@@H]3C[C@H]3C)o2)CCOC1 ZINC000378841723 538974380 /nfs/dbraw/zinc/97/43/80/538974380.db2.gz YIVDSWOPDIVAAW-KYOSRNDESA-N 0 3 249.354 3.062 20 0 BGADHN CC[C@]1(NCc2ccc([C@@H]3C[C@@H]3C)o2)CCOC1 ZINC000378841733 538974672 /nfs/dbraw/zinc/97/46/72/538974672.db2.gz YIVDSWOPDIVAAW-LNSITVRQSA-N 0 3 249.354 3.062 20 0 BGADHN CC[C@]1(NCc2ccc([C@H]3C[C@@H]3C)o2)CCOC1 ZINC000378841734 538974444 /nfs/dbraw/zinc/97/44/44/538974444.db2.gz YIVDSWOPDIVAAW-WHOFXGATSA-N 0 3 249.354 3.062 20 0 BGADHN CC[C@]1(NCc2ccc([C@H]3C[C@H]3C)o2)CCOC1 ZINC000378841736 538974500 /nfs/dbraw/zinc/97/45/00/538974500.db2.gz YIVDSWOPDIVAAW-ZLDLUXBVSA-N 0 3 249.354 3.062 20 0 BGADHN CCC[C@H](CNCc1ccccc1Cl)OC ZINC000378845085 346845265 /nfs/dbraw/zinc/84/52/65/346845265.db2.gz RFCMSVSOWVFGND-GFCCVEGCSA-N 0 3 241.762 3.245 20 0 BGADHN CCC[C@@H](CNCc1ccccc1Cl)OC ZINC000378845086 346845494 /nfs/dbraw/zinc/84/54/94/346845494.db2.gz RFCMSVSOWVFGND-LBPRGKRZSA-N 0 3 241.762 3.245 20 0 BGADHN Cc1nc([C@@H](C)NCC[C@@H](C)F)c(C)s1 ZINC000378846790 388519180 /nfs/dbraw/zinc/51/91/80/388519180.db2.gz AIRFTHUVPJHBEP-HTQZYQBOSA-N 0 3 230.352 3.159 20 0 BGADHN Cc1nc([C@@H](C)NCC[C@H](C)F)c(C)s1 ZINC000378846791 388519871 /nfs/dbraw/zinc/51/98/71/388519871.db2.gz AIRFTHUVPJHBEP-JGVFFNPUSA-N 0 3 230.352 3.159 20 0 BGADHN Cc1nc([C@H](C)NCC[C@@H](C)F)c(C)s1 ZINC000378846792 388519203 /nfs/dbraw/zinc/51/92/03/388519203.db2.gz AIRFTHUVPJHBEP-SFYZADRCSA-N 0 3 230.352 3.159 20 0 BGADHN Cc1nc([C@H](C)NCC[C@H](C)F)c(C)s1 ZINC000378846793 388519339 /nfs/dbraw/zinc/51/93/39/388519339.db2.gz AIRFTHUVPJHBEP-YUMQZZPRSA-N 0 3 230.352 3.159 20 0 BGADHN CC[C@H](NCc1cscc1Cl)C(C)(C)O ZINC000378851529 388523026 /nfs/dbraw/zinc/52/30/26/388523026.db2.gz FYZOYWJTCNQYQN-JTQLQIEISA-N 0 3 247.791 3.041 20 0 BGADHN CC[C@@H](NCc1cscc1Cl)C(C)(C)O ZINC000378851537 388523593 /nfs/dbraw/zinc/52/35/93/388523593.db2.gz FYZOYWJTCNQYQN-SNVBAGLBSA-N 0 3 247.791 3.041 20 0 BGADHN Cc1cc(Cl)cc(CN[C@H]2C[C@@H]2C(F)F)c1 ZINC000378853390 346844454 /nfs/dbraw/zinc/84/44/54/346844454.db2.gz WWKAZRVHHFOJNF-QWRGUYRKSA-N 0 3 245.700 3.392 20 0 BGADHN Clc1ncccc1CN1CC[C@@H]2CCC[C@@H]21 ZINC000378853622 712366297 /nfs/dbraw/zinc/36/62/97/712366297.db2.gz WYPYNBNYZJYJQS-JQWIXIFHSA-N 0 3 236.746 3.109 20 0 BGADHN Clc1ccc(CN2CC[C@@H]3CCC[C@@H]32)cn1 ZINC000378855374 712363211 /nfs/dbraw/zinc/36/32/11/712363211.db2.gz XWZUCBUTSVPEQT-RYUDHWBXSA-N 0 3 236.746 3.109 20 0 BGADHN CC(C)(C)CNCc1c(F)cc(F)cc1F ZINC000378858283 712363402 /nfs/dbraw/zinc/36/34/02/712363402.db2.gz MKKHLWQHQOCXID-UHFFFAOYSA-N 0 3 231.261 3.240 20 0 BGADHN CCC[C@@H](C)NCc1c(F)cc(F)cc1F ZINC000378862330 712364105 /nfs/dbraw/zinc/36/41/05/712364105.db2.gz SRSVHXWLSUOGFI-MRVPVSSYSA-N 0 3 231.261 3.382 20 0 BGADHN CCC[C@H](C)NCc1c(F)cc(F)cc1F ZINC000378862331 712364373 /nfs/dbraw/zinc/36/43/73/712364373.db2.gz SRSVHXWLSUOGFI-QMMMGPOBSA-N 0 3 231.261 3.382 20 0 BGADHN C[C@@H](F)CCNCc1cscc1Cl ZINC000378863618 388526453 /nfs/dbraw/zinc/52/64/53/388526453.db2.gz VWVXHDCPXGBTBK-SSDOTTSWSA-N 0 3 221.728 3.239 20 0 BGADHN C[C@H](F)CCNCc1cscc1Cl ZINC000378863619 388527489 /nfs/dbraw/zinc/52/74/89/388527489.db2.gz VWVXHDCPXGBTBK-ZETCQYMHSA-N 0 3 221.728 3.239 20 0 BGADHN CCCCCNCc1cc(OC)ccc1F ZINC000378864378 388527042 /nfs/dbraw/zinc/52/70/42/388527042.db2.gz XGGBSMFSJXJTND-UHFFFAOYSA-N 0 3 225.307 3.114 20 0 BGADHN CN(C)Cc1cccc(N[C@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000378875875 488108686 /nfs/dbraw/zinc/10/86/86/488108686.db2.gz ADFOHAODYVBDRW-KBMXLJTQSA-N 0 3 244.382 3.349 20 0 BGADHN C[C@H](CN[C@@H]1C[C@@H](C)n2ccnc21)C(C)(C)C ZINC000379054009 388578048 /nfs/dbraw/zinc/57/80/48/388578048.db2.gz LSPSEQORKNEZMD-IJLUTSLNSA-N 0 3 235.375 3.161 20 0 BGADHN C[C@@H](CN[C@@H]1C[C@@H](C)n2ccnc21)C(C)(C)C ZINC000379054010 388577511 /nfs/dbraw/zinc/57/75/11/388577511.db2.gz LSPSEQORKNEZMD-QJPTWQEYSA-N 0 3 235.375 3.161 20 0 BGADHN C[C@@H](CN[C@H]1C[C@@H](C)n2ccnc21)C(C)(C)C ZINC000379054011 388578076 /nfs/dbraw/zinc/57/80/76/388578076.db2.gz LSPSEQORKNEZMD-TUAOUCFPSA-N 0 3 235.375 3.161 20 0 BGADHN C[C@H](CN[C@H]1C[C@@H](C)n2ccnc21)C(C)(C)C ZINC000379054012 388577804 /nfs/dbraw/zinc/57/78/04/388577804.db2.gz LSPSEQORKNEZMD-UTUOFQBUSA-N 0 3 235.375 3.161 20 0 BGADHN CCCCCC[C@@H](C)N[C@@H]1CCn2ccnc21 ZINC000379083541 712369458 /nfs/dbraw/zinc/36/94/58/712369458.db2.gz HVMTZWOVYQPTHC-CHWSQXEVSA-N 0 3 235.375 3.276 20 0 BGADHN CCCCCC[C@@H](C)N[C@H]1CCn2ccnc21 ZINC000379083542 712369575 /nfs/dbraw/zinc/36/95/75/712369575.db2.gz HVMTZWOVYQPTHC-OLZOCXBDSA-N 0 3 235.375 3.276 20 0 BGADHN CCCCCC[C@H](C)N[C@@H]1CCn2ccnc21 ZINC000379083543 712369637 /nfs/dbraw/zinc/36/96/37/712369637.db2.gz HVMTZWOVYQPTHC-QWHCGFSZSA-N 0 3 235.375 3.276 20 0 BGADHN CCCCCC[C@H](C)N[C@H]1CCn2ccnc21 ZINC000379083544 712369786 /nfs/dbraw/zinc/36/97/86/712369786.db2.gz HVMTZWOVYQPTHC-STQMWFEESA-N 0 3 235.375 3.276 20 0 BGADHN CCOCC(C)(C)NCc1ccc(F)cc1C ZINC000379096079 352528104 /nfs/dbraw/zinc/52/81/04/352528104.db2.gz CCWNZFIRUAAJNY-UHFFFAOYSA-N 0 3 239.334 3.039 20 0 BGADHN CCOCC(C)(C)NC/C=C\c1ccccc1 ZINC000379125505 353608216 /nfs/dbraw/zinc/60/82/16/353608216.db2.gz QSNLGOKBLIETAC-FLIBITNWSA-N 0 3 233.355 3.105 20 0 BGADHN CCCCCCN[C@H]1C[C@@H](C)n2ccnc21 ZINC000379134712 712369990 /nfs/dbraw/zinc/36/99/90/712369990.db2.gz CJJLBLIEKCTTMZ-NEPJUHHUSA-N 0 3 221.348 3.059 20 0 BGADHN CCCCCCN[C@@H]1C[C@H](C)n2ccnc21 ZINC000379134715 712370413 /nfs/dbraw/zinc/37/04/13/712370413.db2.gz CJJLBLIEKCTTMZ-NWDGAFQWSA-N 0 3 221.348 3.059 20 0 BGADHN CCCCCCN[C@H]1C[C@H](C)n2ccnc21 ZINC000379134721 712370015 /nfs/dbraw/zinc/37/00/15/712370015.db2.gz CJJLBLIEKCTTMZ-RYUDHWBXSA-N 0 3 221.348 3.059 20 0 BGADHN CCCCCCN[C@@H]1C[C@@H](C)n2ccnc21 ZINC000379134724 712370472 /nfs/dbraw/zinc/37/04/72/712370472.db2.gz CJJLBLIEKCTTMZ-VXGBXAGGSA-N 0 3 221.348 3.059 20 0 BGADHN CC(F)(F)CCN[C@@H]1CCCc2cccnc21 ZINC000379161442 388592814 /nfs/dbraw/zinc/59/28/14/388592814.db2.gz HFKHSTBRHHXINL-LLVKDONJSA-N 0 3 240.297 3.094 20 0 BGADHN CC(F)(F)CCN[C@H]1CCCc2cccnc21 ZINC000379161443 388592983 /nfs/dbraw/zinc/59/29/83/388592983.db2.gz HFKHSTBRHHXINL-NSHDSACASA-N 0 3 240.297 3.094 20 0 BGADHN CC(F)(F)CCNCc1ccc2cc[nH]c2c1 ZINC000379174889 388595073 /nfs/dbraw/zinc/59/50/73/388595073.db2.gz MRWZCKXBMUZQPN-UHFFFAOYSA-N 0 3 238.281 3.303 20 0 BGADHN CC(F)(F)CCNCc1ccc2[nH]ccc2c1 ZINC000379186002 356430040 /nfs/dbraw/zinc/43/00/40/356430040.db2.gz RHJFPCVLKRJIKO-UHFFFAOYSA-N 0 3 238.281 3.303 20 0 BGADHN CC(F)(F)CCNCc1ccc(F)cc1F ZINC000379271307 356440597 /nfs/dbraw/zinc/44/05/97/356440597.db2.gz VZESVCGMTSJCMY-UHFFFAOYSA-N 0 3 235.224 3.100 20 0 BGADHN Cc1cc(CNCCC(C)(F)F)c(C)s1 ZINC000379283149 356439711 /nfs/dbraw/zinc/43/97/11/356439711.db2.gz FGYZXYFJJKWIBC-UHFFFAOYSA-N 0 3 233.327 3.500 20 0 BGADHN C/C=C\CNCc1ccc(Br)s1 ZINC000379312145 356441411 /nfs/dbraw/zinc/44/14/11/356441411.db2.gz WGRFBFYZZOXRDS-IHWYPQMZSA-N 0 3 246.173 3.176 20 0 BGADHN C/C=C\CNCc1cc(Br)cs1 ZINC000379312202 360638861 /nfs/dbraw/zinc/63/88/61/360638861.db2.gz XBUOYCXVXKIVTI-IHWYPQMZSA-N 0 3 246.173 3.176 20 0 BGADHN CC1(C)CC[C@@H]1NC/C(Cl)=C\Cl ZINC000379318554 712373873 /nfs/dbraw/zinc/37/38/73/712373873.db2.gz LPIRABIUNIREPH-IVGLGHLBSA-N 0 3 208.132 3.084 20 0 BGADHN CC1(C)CC[C@H]1NC/C(Cl)=C\Cl ZINC000379318555 712373625 /nfs/dbraw/zinc/37/36/25/712373625.db2.gz LPIRABIUNIREPH-WVXIBAHESA-N 0 3 208.132 3.084 20 0 BGADHN CC1(CNCc2cscc2Cl)CC1 ZINC000379382581 538105735 /nfs/dbraw/zinc/10/57/35/538105735.db2.gz FGEVUHYOZWVGHM-UHFFFAOYSA-N 0 3 215.749 3.291 20 0 BGADHN CC1CCC(N(C)C/C=C\Cl)CC1 ZINC000379390429 360782506 /nfs/dbraw/zinc/78/25/06/360782506.db2.gz NWXCIQCBGJGZFP-BAQGIRSFSA-N 0 3 201.741 3.249 20 0 BGADHN CCCC(CCC)SCCN(C)C ZINC000379418918 357275297 /nfs/dbraw/zinc/27/52/97/357275297.db2.gz XAEPHGXDCFNMMC-UHFFFAOYSA-N 0 3 203.395 3.250 20 0 BGADHN CCCC[C@H](CCC)NCc1nnc(C)s1 ZINC000379436539 711802211 /nfs/dbraw/zinc/80/22/11/711802211.db2.gz HPPSZMTVEACITR-NSHDSACASA-N 0 3 241.404 3.295 20 0 BGADHN COc1cccc(CNC2(C(C)C)CC2)c1F ZINC000379460411 487734585 /nfs/dbraw/zinc/73/45/85/487734585.db2.gz CUWWQKQRFVLOGX-UHFFFAOYSA-N 0 3 237.318 3.113 20 0 BGADHN COc1ccc(CNC2(C(C)C)CC2)c(F)c1 ZINC000379464840 343520651 /nfs/dbraw/zinc/52/06/51/343520651.db2.gz LFASEFPITHCPGC-UHFFFAOYSA-N 0 3 237.318 3.113 20 0 BGADHN Cl/C=C\CN[C@@H]1CCCc2sccc21 ZINC000379488606 712385662 /nfs/dbraw/zinc/38/56/62/712385662.db2.gz XOLCHBVTEPBRIP-LGIFSFGNSA-N 0 3 227.760 3.468 20 0 BGADHN Cl/C=C\CN[C@H]1CCCc2sccc21 ZINC000379488607 712385464 /nfs/dbraw/zinc/38/54/64/712385464.db2.gz XOLCHBVTEPBRIP-RILPQGNRSA-N 0 3 227.760 3.468 20 0 BGADHN CCc1ccc(CNC/C=C\Cl)cc1 ZINC000379488698 712385476 /nfs/dbraw/zinc/38/54/76/712385476.db2.gz ZSJZFKHIODGSSQ-BAQGIRSFSA-N 0 3 209.720 3.091 20 0 BGADHN CCCNCc1c(Cl)cccc1CC ZINC000379517611 411215498 /nfs/dbraw/zinc/21/54/98/411215498.db2.gz BAOUDKAMJZDTCT-UHFFFAOYSA-N 0 3 211.736 3.402 20 0 BGADHN CC(C)SCCN[C@@H](C)c1ccoc1 ZINC000379540874 343573165 /nfs/dbraw/zinc/57/31/65/343573165.db2.gz PIQGMOMECPSECT-JTQLQIEISA-N 0 3 213.346 3.072 20 0 BGADHN CC(C)SCCN[C@H](C)c1ccoc1 ZINC000379540875 343573288 /nfs/dbraw/zinc/57/32/88/343573288.db2.gz PIQGMOMECPSECT-SNVBAGLBSA-N 0 3 213.346 3.072 20 0 BGADHN CCc1ncc(CNCC2=CCCCC2)s1 ZINC000379557445 359543165 /nfs/dbraw/zinc/54/31/65/359543165.db2.gz BURFCTZKFFURAQ-UHFFFAOYSA-N 0 3 236.384 3.296 20 0 BGADHN c1cc(CNCC2=CCCCC2)cs1 ZINC000379563944 359545161 /nfs/dbraw/zinc/54/51/61/359545161.db2.gz CPSQIYZUCHHNOC-UHFFFAOYSA-N 0 3 207.342 3.338 20 0 BGADHN Cc1nc(C)c(CNCC2=CCCCC2)s1 ZINC000379567629 359545966 /nfs/dbraw/zinc/54/59/66/359545966.db2.gz KPRHZMMJPYYOCK-UHFFFAOYSA-N 0 3 236.384 3.350 20 0 BGADHN CC(C)n1cc(CNCC2=CCCCC2)cn1 ZINC000379572138 359549058 /nfs/dbraw/zinc/54/90/58/359549058.db2.gz SIIRPFLHILCHNG-UHFFFAOYSA-N 0 3 233.359 3.054 20 0 BGADHN c1csc(CNCC2=CCCCC2)c1 ZINC000379575179 359550326 /nfs/dbraw/zinc/55/03/26/359550326.db2.gz XRHFUWUISLWTPF-UHFFFAOYSA-N 0 3 207.342 3.338 20 0 BGADHN CC(C)n1cncc1CNCC1=CCCCC1 ZINC000379575800 359550625 /nfs/dbraw/zinc/55/06/25/359550625.db2.gz YGHZQVCABXXUHF-UHFFFAOYSA-N 0 3 233.359 3.054 20 0 BGADHN COCc1cccc(CNCC2=CCCCC2)c1 ZINC000379577160 359550502 /nfs/dbraw/zinc/55/05/02/359550502.db2.gz AANVXAXEXMERJN-UHFFFAOYSA-N 0 3 245.366 3.423 20 0 BGADHN Clc1sccc1CNC1(C2CC2)CC1 ZINC000379577397 359550344 /nfs/dbraw/zinc/55/03/44/359550344.db2.gz QMDAXAAZUIJMFC-UHFFFAOYSA-N 0 3 227.760 3.434 20 0 BGADHN COc1ccccc1CNCC1=CCCCC1 ZINC000379578054 359551530 /nfs/dbraw/zinc/55/15/30/359551530.db2.gz BLSSSFIBHUPGTJ-UHFFFAOYSA-N 0 3 231.339 3.285 20 0 BGADHN COc1ccc(CNCC2=CCCCC2)cc1F ZINC000379578069 359551654 /nfs/dbraw/zinc/55/16/54/359551654.db2.gz DMGDCIAMGYTQFB-UHFFFAOYSA-N 0 3 249.329 3.424 20 0 BGADHN COc1ccc(CNCC2=CCCCC2)cc1 ZINC000379578077 359553010 /nfs/dbraw/zinc/55/30/10/359553010.db2.gz BNEBSVPJOOWWEG-UHFFFAOYSA-N 0 3 231.339 3.285 20 0 BGADHN Cc1ccoc1CNCC1=CCCCC1 ZINC000379578341 359552579 /nfs/dbraw/zinc/55/25/79/359552579.db2.gz DXDJAAQWDGCFBE-UHFFFAOYSA-N 0 3 205.301 3.178 20 0 BGADHN COCc1ccc(CNCC2=CCCCC2)cc1 ZINC000379578908 359552470 /nfs/dbraw/zinc/55/24/70/359552470.db2.gz DBVIWFRYBGFDSP-UHFFFAOYSA-N 0 3 245.366 3.423 20 0 BGADHN C[C@@H](NCC1=CCCCC1)c1ccoc1 ZINC000379579075 488144020 /nfs/dbraw/zinc/14/40/20/488144020.db2.gz GLPJTBOMLGWFGX-LLVKDONJSA-N 0 3 205.301 3.431 20 0 BGADHN C[C@H](NCC1=CCCCC1)c1ccoc1 ZINC000379579077 488144300 /nfs/dbraw/zinc/14/43/00/488144300.db2.gz GLPJTBOMLGWFGX-NSHDSACASA-N 0 3 205.301 3.431 20 0 BGADHN Clc1cscc1CNC1(C2CC2)CC1 ZINC000379579769 538978956 /nfs/dbraw/zinc/97/89/56/538978956.db2.gz XJLZKKBFFDFFDT-UHFFFAOYSA-N 0 3 227.760 3.434 20 0 BGADHN [O-]c1ccc(C[NH2+]CC2=CCCCC2)cc1F ZINC000379580006 712389348 /nfs/dbraw/zinc/38/93/48/712389348.db2.gz GHFXXOSHJPDXMJ-UHFFFAOYSA-N 0 3 235.302 3.121 20 0 BGADHN COC[C@H](NCC1=CCCCC1)c1ccccc1 ZINC000379580601 359553056 /nfs/dbraw/zinc/55/30/56/359553056.db2.gz HOHYAAZZNPPCBQ-INIZCTEOSA-N 0 3 245.366 3.464 20 0 BGADHN COC[C@@H](NCC1=CCCCC1)c1ccccc1 ZINC000379580602 359552688 /nfs/dbraw/zinc/55/26/88/359552688.db2.gz HOHYAAZZNPPCBQ-MRXNPFEDSA-N 0 3 245.366 3.464 20 0 BGADHN c1cnc2c(c1)CC[C@@H]2NCC1=CCCCC1 ZINC000379581694 712388997 /nfs/dbraw/zinc/38/89/97/712388997.db2.gz MNBWGHIRHZJCDP-AWEZNQCLSA-N 0 3 228.339 3.159 20 0 BGADHN c1cnc2c(c1)CC[C@H]2NCC1=CCCCC1 ZINC000379581698 712389360 /nfs/dbraw/zinc/38/93/60/712389360.db2.gz MNBWGHIRHZJCDP-CQSZACIVSA-N 0 3 228.339 3.159 20 0 BGADHN Oc1cccc2c1CC[C@@H]2NCC1=CCCCC1 ZINC000379581950 359553692 /nfs/dbraw/zinc/55/36/92/359553692.db2.gz MPHHLYKNFLVCAV-HNNXBMFYSA-N 0 3 243.350 3.470 20 0 BGADHN Oc1cccc2c1CC[C@H]2NCC1=CCCCC1 ZINC000379581951 359553639 /nfs/dbraw/zinc/55/36/39/359553639.db2.gz MPHHLYKNFLVCAV-OAHLLOKOSA-N 0 3 243.350 3.470 20 0 BGADHN Cc1ccc(CNCC2=CCCCC2)o1 ZINC000379584528 359560955 /nfs/dbraw/zinc/56/09/55/359560955.db2.gz VHYGQVUHVCVJNP-UHFFFAOYSA-N 0 3 205.301 3.178 20 0 BGADHN COc1cccc(CNCC2=CCCCC2)c1 ZINC000379585914 359560974 /nfs/dbraw/zinc/56/09/74/359560974.db2.gz HWLVWECRTJKIBS-UHFFFAOYSA-N 0 3 231.339 3.285 20 0 BGADHN c1cc2c(c(CNCC3=CCCCC3)c1)OCO2 ZINC000379591065 359556477 /nfs/dbraw/zinc/55/64/77/359556477.db2.gz WDRPPQZTTCSOFQ-UHFFFAOYSA-N 0 3 245.322 3.005 20 0 BGADHN CCc1cccc(Cl)c1CNC(C)C ZINC000379599092 359567923 /nfs/dbraw/zinc/56/79/23/359567923.db2.gz ISTHDCHMRMSKHD-UHFFFAOYSA-N 0 3 211.736 3.400 20 0 BGADHN CC[C@@H](N[C@@H]1CCCC1(F)F)C(C)C ZINC000379602991 584327872 /nfs/dbraw/zinc/32/78/72/584327872.db2.gz NFYSBJMMLWDJJE-NXEZZACHSA-N 0 3 205.292 3.198 20 0 BGADHN CC[C@H](N[C@H]1CCCC1(F)F)C(C)C ZINC000379602992 584327684 /nfs/dbraw/zinc/32/76/84/584327684.db2.gz NFYSBJMMLWDJJE-UWVGGRQHSA-N 0 3 205.292 3.198 20 0 BGADHN CC[C@H](N[C@@H]1CCCC1(F)F)C(C)C ZINC000379602993 584327660 /nfs/dbraw/zinc/32/76/60/584327660.db2.gz NFYSBJMMLWDJJE-VHSXEESVSA-N 0 3 205.292 3.198 20 0 BGADHN CC[C@@H](N[C@H]1CCCC1(F)F)C(C)C ZINC000379602994 584327971 /nfs/dbraw/zinc/32/79/71/584327971.db2.gz NFYSBJMMLWDJJE-ZJUUUORDSA-N 0 3 205.292 3.198 20 0 BGADHN C[C@H](Cc1ccsc1)NC(C)(C)CF ZINC000379609436 359566126 /nfs/dbraw/zinc/56/61/26/359566126.db2.gz SCDTXEORVNJFKI-SECBINFHSA-N 0 3 215.337 3.017 20 0 BGADHN C[C@@H](Cc1ccsc1)NC(C)(C)CF ZINC000379609437 359566508 /nfs/dbraw/zinc/56/65/08/359566508.db2.gz SCDTXEORVNJFKI-VIFPVBQESA-N 0 3 215.337 3.017 20 0 BGADHN CSC1(CNCc2cscc2Cl)CC1 ZINC000379666215 343591574 /nfs/dbraw/zinc/59/15/74/343591574.db2.gz XDBIZHIDMPNPTR-UHFFFAOYSA-N 0 3 247.816 3.387 20 0 BGADHN CCC1(NCc2ccccc2Cl)CC1 ZINC000379722716 361359636 /nfs/dbraw/zinc/35/96/36/361359636.db2.gz JXOVGRARYHVTIT-UHFFFAOYSA-N 0 3 209.720 3.372 20 0 BGADHN CCC1(NCc2cnc(C(C)(C)C)s2)CC1 ZINC000379726357 361362519 /nfs/dbraw/zinc/36/25/19/361362519.db2.gz VEQPXLZYEXMNJI-UHFFFAOYSA-N 0 3 238.400 3.473 20 0 BGADHN CCC1(NCc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000379728402 361366933 /nfs/dbraw/zinc/36/69/33/361366933.db2.gz BREXSQBRPUOCOM-CMPLNLGQSA-N 0 3 219.328 3.435 20 0 BGADHN CCC1(NCc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000379728403 361367145 /nfs/dbraw/zinc/36/71/45/361367145.db2.gz BREXSQBRPUOCOM-JQWIXIFHSA-N 0 3 219.328 3.435 20 0 BGADHN CCC1(NCc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000379728404 361367083 /nfs/dbraw/zinc/36/70/83/361367083.db2.gz BREXSQBRPUOCOM-PWSUYJOCSA-N 0 3 219.328 3.435 20 0 BGADHN CCC1(NCc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000379728405 361367103 /nfs/dbraw/zinc/36/71/03/361367103.db2.gz BREXSQBRPUOCOM-ZYHUDNBSSA-N 0 3 219.328 3.435 20 0 BGADHN CCC1(NCc2cc(C)ccc2OC)CC1 ZINC000379730092 361369722 /nfs/dbraw/zinc/36/97/22/361369722.db2.gz LGFRCHURBXZGNC-UHFFFAOYSA-N 0 3 219.328 3.036 20 0 BGADHN CCC1(NCc2cccc(C)c2F)CC1 ZINC000379733793 388254904 /nfs/dbraw/zinc/25/49/04/388254904.db2.gz BDFGHQYDWVBHSI-UHFFFAOYSA-N 0 3 207.292 3.166 20 0 BGADHN CCn1c2ccccc2nc1CNC1(CC)CC1 ZINC000379738024 361381461 /nfs/dbraw/zinc/38/14/61/361381461.db2.gz UJRZQQSGWIKGQL-UHFFFAOYSA-N 0 3 243.354 3.088 20 0 BGADHN Cc1cccc(CNC2(C(C)C)CC2)c1F ZINC000379738391 361382814 /nfs/dbraw/zinc/38/28/14/361382814.db2.gz VYMKWPVFJZYWLA-UHFFFAOYSA-N 0 3 221.319 3.412 20 0 BGADHN CCC1(NCc2cc(C)ccc2F)CC1 ZINC000379741538 361389597 /nfs/dbraw/zinc/38/95/97/361389597.db2.gz NVZQEVFJPCOEGF-UHFFFAOYSA-N 0 3 207.292 3.166 20 0 BGADHN c1cc(CNCC2=CCCOC2)cc(C2CC2)c1 ZINC000379741678 361389397 /nfs/dbraw/zinc/38/93/97/361389397.db2.gz LWAFHGLSWIUJBY-UHFFFAOYSA-N 0 3 243.350 3.000 20 0 BGADHN c1ccc(C2CC2)c(CNCC2=CCCOC2)c1 ZINC000379746765 538979753 /nfs/dbraw/zinc/97/97/53/538979753.db2.gz WQHVPONDOGZNGQ-UHFFFAOYSA-N 0 3 243.350 3.000 20 0 BGADHN COc1ccc(CN2CCCCCC2)c(F)c1 ZINC000379757266 361867724 /nfs/dbraw/zinc/86/77/24/361867724.db2.gz YHRBCRGNFTVTBD-UHFFFAOYSA-N 0 3 237.318 3.210 20 0 BGADHN COc1cccc(CNCC2=CCCCC2)c1F ZINC000379767883 398205076 /nfs/dbraw/zinc/20/50/76/398205076.db2.gz LXUCYFNWSAIXBM-UHFFFAOYSA-N 0 3 249.329 3.424 20 0 BGADHN CCCc1ccc([C@@H](C)NCCF)cc1 ZINC000379780145 365255296 /nfs/dbraw/zinc/25/52/96/365255296.db2.gz BWQMELMEYSRWPT-LLVKDONJSA-N 0 3 209.308 3.259 20 0 BGADHN CCCc1ccc([C@H](C)NCCF)cc1 ZINC000379780146 365255315 /nfs/dbraw/zinc/25/53/15/365255315.db2.gz BWQMELMEYSRWPT-NSHDSACASA-N 0 3 209.308 3.259 20 0 BGADHN Cc1cc(N[C@H]2CC[C@@H]2C)c2ccccc2n1 ZINC000379780538 365258047 /nfs/dbraw/zinc/25/80/47/365258047.db2.gz WTKHPZBWUHMFAC-GWCFXTLKSA-N 0 3 226.323 3.176 20 0 BGADHN Cc1cc(N[C@@H]2CC[C@@H]2C)c2ccccc2n1 ZINC000379780541 365257955 /nfs/dbraw/zinc/25/79/55/365257955.db2.gz WTKHPZBWUHMFAC-GXFFZTMASA-N 0 3 226.323 3.176 20 0 BGADHN Cc1cc(N[C@H]2CC[C@H]2C)c2ccccc2n1 ZINC000379780543 365258170 /nfs/dbraw/zinc/25/81/70/365258170.db2.gz WTKHPZBWUHMFAC-MFKMUULPSA-N 0 3 226.323 3.176 20 0 BGADHN Cc1cc(N[C@@H]2CC[C@H]2C)c2ccccc2n1 ZINC000379780545 365258629 /nfs/dbraw/zinc/25/86/29/365258629.db2.gz WTKHPZBWUHMFAC-ZWNOBZJWSA-N 0 3 226.323 3.176 20 0 BGADHN Fc1ccc(CN[C@@H]2CCC(F)(F)C2)cc1F ZINC000379881096 538980922 /nfs/dbraw/zinc/98/09/22/538980922.db2.gz BGEPCXVBNSPSNE-SECBINFHSA-N 0 3 247.235 3.242 20 0 BGADHN Fc1ccc(CN[C@H]2CCC(F)(F)C2)cc1F ZINC000379881098 538980821 /nfs/dbraw/zinc/98/08/21/538980821.db2.gz BGEPCXVBNSPSNE-VIFPVBQESA-N 0 3 247.235 3.242 20 0 BGADHN Cc1cnc(CNC[C@@H](C)C(C)(C)C)s1 ZINC000379892597 538981230 /nfs/dbraw/zinc/98/12/30/538981230.db2.gz FSZWANGNYVBZFX-SECBINFHSA-N 0 3 226.389 3.223 20 0 BGADHN Cc1cnc(CNC[C@H](C)C(C)(C)C)s1 ZINC000379892607 538981011 /nfs/dbraw/zinc/98/10/11/538981011.db2.gz FSZWANGNYVBZFX-VIFPVBQESA-N 0 3 226.389 3.223 20 0 BGADHN CCOC(C)(C)CNCc1cscc1Cl ZINC000379916987 538981329 /nfs/dbraw/zinc/98/13/29/538981329.db2.gz DDFHKVYZJOSBMM-UHFFFAOYSA-N 0 3 247.791 3.306 20 0 BGADHN CC[C@@H](NC1CSC1)c1ccc(Cl)cc1 ZINC000379922736 538462386 /nfs/dbraw/zinc/46/23/86/538462386.db2.gz IVAIGPNQWDNTKU-GFCCVEGCSA-N 0 3 241.787 3.496 20 0 BGADHN CC[C@H](NC1CSC1)c1ccc(Cl)cc1 ZINC000379922737 538462355 /nfs/dbraw/zinc/46/23/55/538462355.db2.gz IVAIGPNQWDNTKU-LBPRGKRZSA-N 0 3 241.787 3.496 20 0 BGADHN CCC[C@@](C)(O)CNCc1cscc1Cl ZINC000379924037 538982078 /nfs/dbraw/zinc/98/20/78/538982078.db2.gz JVUMAVPJKHTZCL-LLVKDONJSA-N 0 3 247.791 3.042 20 0 BGADHN CCC[C@](C)(O)CNCc1cscc1Cl ZINC000379924039 538981889 /nfs/dbraw/zinc/98/18/89/538981889.db2.gz JVUMAVPJKHTZCL-NSHDSACASA-N 0 3 247.791 3.042 20 0 BGADHN C/C=C/CN[C@H](C)c1ccc(F)c(F)c1 ZINC000379929097 398242919 /nfs/dbraw/zinc/24/29/19/398242919.db2.gz NFJTYKSWLLHVEY-CDAZIORVSA-N 0 3 211.255 3.192 20 0 BGADHN C/C=C\CN[C@H](C)c1ccc(F)c(F)c1 ZINC000379929099 398242994 /nfs/dbraw/zinc/24/29/94/398242994.db2.gz NFJTYKSWLLHVEY-ZBJFTSOASA-N 0 3 211.255 3.192 20 0 BGADHN Cc1cc(Cl)ccc1CNC(C)(C)CF ZINC000379929822 365743413 /nfs/dbraw/zinc/74/34/13/365743413.db2.gz NSCASNOBPHDNEQ-UHFFFAOYSA-N 0 3 229.726 3.486 20 0 BGADHN C[C@@H]1CC[C@@H](C)C1NCc1ncc(Cl)s1 ZINC000379946489 712635862 /nfs/dbraw/zinc/63/58/62/712635862.db2.gz DIPALLIJRHVWHG-HTQZYQBOSA-N 0 3 244.791 3.321 20 0 BGADHN C[C@@H]1CC[C@H](C)[C@H]1NCc1ncc(Cl)s1 ZINC000379946494 712635871 /nfs/dbraw/zinc/63/58/71/712635871.db2.gz DIPALLIJRHVWHG-VROVMSAKSA-N 0 3 244.791 3.321 20 0 BGADHN C[C@H]1CC[C@H](C)C1NCc1ncc(Cl)s1 ZINC000379946499 712635860 /nfs/dbraw/zinc/63/58/60/712635860.db2.gz DIPALLIJRHVWHG-YUMQZZPRSA-N 0 3 244.791 3.321 20 0 BGADHN Cc1ccoc1CNC[C@H](C)CC(C)C ZINC000379947133 365756846 /nfs/dbraw/zinc/75/68/46/365756846.db2.gz DFCLOLKQMQZSIQ-LLVKDONJSA-N 0 3 209.333 3.360 20 0 BGADHN Cc1ccoc1CNC[C@@H](C)CC(C)C ZINC000379947144 365757578 /nfs/dbraw/zinc/75/75/78/365757578.db2.gz DFCLOLKQMQZSIQ-NSHDSACASA-N 0 3 209.333 3.360 20 0 BGADHN CC(C)(C)C(C)(C)CNCc1cscn1 ZINC000379950272 365761636 /nfs/dbraw/zinc/76/16/36/365761636.db2.gz SRZVOOVOTYRZCO-UHFFFAOYSA-N 0 3 226.389 3.305 20 0 BGADHN CC(C)N(C)Cc1cc(Cl)cc(Cl)c1N ZINC000379952197 398178898 /nfs/dbraw/zinc/17/88/98/398178898.db2.gz FDMSEWTZEOCOSC-UHFFFAOYSA-N 0 3 247.169 3.416 20 0 BGADHN CC[C@@H](F)CNC(C)(C)c1ccccc1 ZINC000379968094 365782967 /nfs/dbraw/zinc/78/29/67/365782967.db2.gz ZVZOPBNHOKOROD-GFCCVEGCSA-N 0 3 209.308 3.259 20 0 BGADHN CC[C@H](F)CNC(C)(C)c1ccccc1 ZINC000379968095 365783531 /nfs/dbraw/zinc/78/35/31/365783531.db2.gz ZVZOPBNHOKOROD-LBPRGKRZSA-N 0 3 209.308 3.259 20 0 BGADHN Cc1nc(CN[C@H]2CCC2(C)C)sc1C ZINC000379972376 365769030 /nfs/dbraw/zinc/76/90/30/365769030.db2.gz PRLYAHXTGJVWGG-JTQLQIEISA-N 0 3 224.373 3.038 20 0 BGADHN Cc1nc(CN[C@@H]2CCC2(C)C)sc1C ZINC000379972388 365768792 /nfs/dbraw/zinc/76/87/92/365768792.db2.gz PRLYAHXTGJVWGG-SNVBAGLBSA-N 0 3 224.373 3.038 20 0 BGADHN c1ccc2c(c1)SC[C@@H]2NC[C@@H]1CCC=CO1 ZINC000379972559 712642850 /nfs/dbraw/zinc/64/28/50/712642850.db2.gz CPEQTJKJICOBEH-AAEUAGOBSA-N 0 3 247.363 3.116 20 0 BGADHN c1ccc2c(c1)SC[C@H]2NC[C@H]1CCC=CO1 ZINC000379972562 712642824 /nfs/dbraw/zinc/64/28/24/712642824.db2.gz CPEQTJKJICOBEH-DGCLKSJQSA-N 0 3 247.363 3.116 20 0 BGADHN c1ccc2c(c1)SC[C@H]2NC[C@@H]1CCC=CO1 ZINC000379972563 712642836 /nfs/dbraw/zinc/64/28/36/712642836.db2.gz CPEQTJKJICOBEH-WCQYABFASA-N 0 3 247.363 3.116 20 0 BGADHN c1ccc2c(c1)SC[C@@H]2NC[C@H]1CCC=CO1 ZINC000379972565 712642877 /nfs/dbraw/zinc/64/28/77/712642877.db2.gz CPEQTJKJICOBEH-YPMHNXCESA-N 0 3 247.363 3.116 20 0 BGADHN CCCC[C@@H](CC)N[C@H](C)c1ccon1 ZINC000379976199 365771855 /nfs/dbraw/zinc/77/18/55/365771855.db2.gz DNDLKNWENRETIN-GHMZBOCLSA-N 0 3 210.321 3.294 20 0 BGADHN CCCC[C@H](CC)N[C@H](C)c1ccon1 ZINC000379976201 365772636 /nfs/dbraw/zinc/77/26/36/365772636.db2.gz DNDLKNWENRETIN-MNOVXSKESA-N 0 3 210.321 3.294 20 0 BGADHN CCCC[C@H](CC)N[C@@H](C)c1ccon1 ZINC000379976202 365771819 /nfs/dbraw/zinc/77/18/19/365771819.db2.gz DNDLKNWENRETIN-QWRGUYRKSA-N 0 3 210.321 3.294 20 0 BGADHN CCCC[C@@H](CC)N[C@@H](C)c1ccon1 ZINC000379976203 365772040 /nfs/dbraw/zinc/77/20/40/365772040.db2.gz DNDLKNWENRETIN-WDEREUQCSA-N 0 3 210.321 3.294 20 0 BGADHN Clc1sccc1CNC[C@@H]1CCC=CO1 ZINC000379977498 712643663 /nfs/dbraw/zinc/64/36/63/712643663.db2.gz FGRZHWSXJHLJON-JTQLQIEISA-N 0 3 243.759 3.184 20 0 BGADHN Clc1sccc1CNC[C@H]1CCC=CO1 ZINC000379977503 712643492 /nfs/dbraw/zinc/64/34/92/712643492.db2.gz FGRZHWSXJHLJON-SNVBAGLBSA-N 0 3 243.759 3.184 20 0 BGADHN CCSCCCN[C@H](C)c1cnc(C)s1 ZINC000379977539 343663379 /nfs/dbraw/zinc/66/33/79/343663379.db2.gz FJCIKXIZAHUMDN-SECBINFHSA-N 0 3 244.429 3.245 20 0 BGADHN CCSCCCN[C@@H](C)c1cnc(C)s1 ZINC000379977541 343663724 /nfs/dbraw/zinc/66/37/24/343663724.db2.gz FJCIKXIZAHUMDN-VIFPVBQESA-N 0 3 244.429 3.245 20 0 BGADHN Cc1cc(CNCC2(F)CC2)ccc1Cl ZINC000379981133 365777819 /nfs/dbraw/zinc/77/78/19/365777819.db2.gz HJXYECCAQISTSR-UHFFFAOYSA-N 0 3 227.710 3.240 20 0 BGADHN CC[C@H](C)N[C@@H]1COc2c1cccc2Cl ZINC000379982293 538983415 /nfs/dbraw/zinc/98/34/15/538983415.db2.gz ICXRUOXAFVHWER-GZMMTYOYSA-N 0 3 225.719 3.162 20 0 BGADHN CC[C@@H](C)N[C@H]1COc2c1cccc2Cl ZINC000379982294 538983119 /nfs/dbraw/zinc/98/31/19/538983119.db2.gz ICXRUOXAFVHWER-KCJUWKMLSA-N 0 3 225.719 3.162 20 0 BGADHN CC[C@H](C)N[C@H]1COc2c1cccc2Cl ZINC000379982296 538983461 /nfs/dbraw/zinc/98/34/61/538983461.db2.gz ICXRUOXAFVHWER-KWQFWETISA-N 0 3 225.719 3.162 20 0 BGADHN CC[C@@H](C)N[C@@H]1COc2c1cccc2Cl ZINC000379982303 538983412 /nfs/dbraw/zinc/98/34/12/538983412.db2.gz ICXRUOXAFVHWER-LDYMZIIASA-N 0 3 225.719 3.162 20 0 BGADHN CC[C@H](F)CN[C@@H](C)c1ccc(C)cc1 ZINC000379998335 365789240 /nfs/dbraw/zinc/78/92/40/365789240.db2.gz KYOZCNBSLQHKBG-AAEUAGOBSA-N 0 3 209.308 3.394 20 0 BGADHN CC[C@@H](F)CN[C@H](C)c1ccc(C)cc1 ZINC000379998337 365789539 /nfs/dbraw/zinc/78/95/39/365789539.db2.gz KYOZCNBSLQHKBG-DGCLKSJQSA-N 0 3 209.308 3.394 20 0 BGADHN CC[C@@H](F)CN[C@@H](C)c1ccc(C)cc1 ZINC000379998340 365789654 /nfs/dbraw/zinc/78/96/54/365789654.db2.gz KYOZCNBSLQHKBG-WCQYABFASA-N 0 3 209.308 3.394 20 0 BGADHN CC[C@H](F)CN[C@H](C)c1ccc(C)cc1 ZINC000379998343 365789161 /nfs/dbraw/zinc/78/91/61/365789161.db2.gz KYOZCNBSLQHKBG-YPMHNXCESA-N 0 3 209.308 3.394 20 0 BGADHN CC[C@H](F)CN[C@H](C)c1ccccc1C ZINC000380005869 365794886 /nfs/dbraw/zinc/79/48/86/365794886.db2.gz PDUMYRCZHLUXQO-NEPJUHHUSA-N 0 3 209.308 3.394 20 0 BGADHN CC[C@@H](F)CN[C@@H](C)c1ccccc1C ZINC000380005871 365795345 /nfs/dbraw/zinc/79/53/45/365795345.db2.gz PDUMYRCZHLUXQO-NWDGAFQWSA-N 0 3 209.308 3.394 20 0 BGADHN CC[C@H](F)CN[C@@H](C)c1ccccc1C ZINC000380005874 365795356 /nfs/dbraw/zinc/79/53/56/365795356.db2.gz PDUMYRCZHLUXQO-RYUDHWBXSA-N 0 3 209.308 3.394 20 0 BGADHN CC[C@@H](F)CN[C@H](C)c1ccccc1C ZINC000380005876 342906369 /nfs/dbraw/zinc/90/63/69/342906369.db2.gz PDUMYRCZHLUXQO-VXGBXAGGSA-N 0 3 209.308 3.394 20 0 BGADHN CCSc1cccc(CNCCSC)c1 ZINC000380012507 343669450 /nfs/dbraw/zinc/66/94/50/343669450.db2.gz SDOPQTKWMAMPCI-UHFFFAOYSA-N 0 3 241.425 3.251 20 0 BGADHN FCCN[C@H](CC1CC1)c1ccccc1 ZINC000380015710 538983871 /nfs/dbraw/zinc/98/38/71/538983871.db2.gz UCLUYLWVIHLVKB-CYBMUJFWSA-N 0 3 207.292 3.087 20 0 BGADHN FCCN[C@@H](CC1CC1)c1ccccc1 ZINC000380015712 538983843 /nfs/dbraw/zinc/98/38/43/538983843.db2.gz UCLUYLWVIHLVKB-ZDUSSCGKSA-N 0 3 207.292 3.087 20 0 BGADHN Cc1cc(CNC[C@@H](C)C2CCCCC2)on1 ZINC000380016082 373101248 /nfs/dbraw/zinc/10/12/48/373101248.db2.gz LTQKFHCPHUMNFS-LLVKDONJSA-N 0 3 236.359 3.289 20 0 BGADHN Cc1cc(CNC[C@H](C)C2CCCCC2)on1 ZINC000380016104 373102348 /nfs/dbraw/zinc/10/23/48/373102348.db2.gz LTQKFHCPHUMNFS-NSHDSACASA-N 0 3 236.359 3.289 20 0 BGADHN CC(C)c1csc(CN[C@@H]2CC[C@H]2C)n1 ZINC000380072622 711816838 /nfs/dbraw/zinc/81/68/38/711816838.db2.gz DOAITYKOIDFARX-NXEZZACHSA-N 0 3 224.373 3.155 20 0 BGADHN CC(C)c1csc(CN[C@H]2CC[C@@H]2C)n1 ZINC000380072624 712685134 /nfs/dbraw/zinc/68/51/34/712685134.db2.gz DOAITYKOIDFARX-UWVGGRQHSA-N 0 3 224.373 3.155 20 0 BGADHN CC(C)c1csc(CN[C@@H]2CC[C@@H]2C)n1 ZINC000380072627 712684841 /nfs/dbraw/zinc/68/48/41/712684841.db2.gz DOAITYKOIDFARX-VHSXEESVSA-N 0 3 224.373 3.155 20 0 BGADHN CC(C)c1csc(CN[C@H]2CC[C@H]2C)n1 ZINC000380072628 712684864 /nfs/dbraw/zinc/68/48/64/712684864.db2.gz DOAITYKOIDFARX-ZJUUUORDSA-N 0 3 224.373 3.155 20 0 BGADHN CC(C)CN[C@@H]1COc2c1cccc2Cl ZINC000380074730 538984842 /nfs/dbraw/zinc/98/48/42/538984842.db2.gz FAKFURUSVBDKIM-LLVKDONJSA-N 0 3 225.719 3.019 20 0 BGADHN CC(C)CN[C@H]1COc2c1cccc2Cl ZINC000380074734 538984584 /nfs/dbraw/zinc/98/45/84/538984584.db2.gz FAKFURUSVBDKIM-NSHDSACASA-N 0 3 225.719 3.019 20 0 BGADHN C[C@H](N[C@@H]1CC12CCCC2)c1ccoc1 ZINC000380078535 343677848 /nfs/dbraw/zinc/67/78/48/343677848.db2.gz FYTHUUWHGYUSGF-CMPLNLGQSA-N 0 3 205.301 3.263 20 0 BGADHN C[C@H](N[C@H]1CC12CCCC2)c1ccoc1 ZINC000380078536 343677811 /nfs/dbraw/zinc/67/78/11/343677811.db2.gz FYTHUUWHGYUSGF-JQWIXIFHSA-N 0 3 205.301 3.263 20 0 BGADHN C[C@@H](N[C@H]1CC12CCCC2)c1ccoc1 ZINC000380078540 343677795 /nfs/dbraw/zinc/67/77/95/343677795.db2.gz FYTHUUWHGYUSGF-PWSUYJOCSA-N 0 3 205.301 3.263 20 0 BGADHN C[C@@H](N[C@@H]1CC12CCCC2)c1ccoc1 ZINC000380078545 343677751 /nfs/dbraw/zinc/67/77/51/343677751.db2.gz FYTHUUWHGYUSGF-ZYHUDNBSSA-N 0 3 205.301 3.263 20 0 BGADHN Cc1ncc([C@@H](C)NC2(C3CC3)CC2)s1 ZINC000380078975 538984723 /nfs/dbraw/zinc/98/47/23/538984723.db2.gz GATVSPHDKNCRPR-MRVPVSSYSA-N 0 3 222.357 3.045 20 0 BGADHN Cc1ncc([C@H](C)NC2(C3CC3)CC2)s1 ZINC000380079408 538464528 /nfs/dbraw/zinc/46/45/28/538464528.db2.gz GATVSPHDKNCRPR-QMMMGPOBSA-N 0 3 222.357 3.045 20 0 BGADHN Fc1cccc(CN[C@@H]2CCC(F)(F)C2)c1F ZINC000380081876 538984574 /nfs/dbraw/zinc/98/45/74/538984574.db2.gz DZBKHLFJPUYJFR-SECBINFHSA-N 0 3 247.235 3.242 20 0 BGADHN Fc1cccc(CN[C@H]2CCC(F)(F)C2)c1F ZINC000380081885 538984906 /nfs/dbraw/zinc/98/49/06/538984906.db2.gz DZBKHLFJPUYJFR-VIFPVBQESA-N 0 3 247.235 3.242 20 0 BGADHN CC1(C)CC(CNCc2ccc(Cl)o2)C1 ZINC000380086423 365868536 /nfs/dbraw/zinc/86/85/36/365868536.db2.gz HRVUPGPOZIPKIL-UHFFFAOYSA-N 0 3 227.735 3.459 20 0 BGADHN C[C@H](CF)NCc1ccc(C(C)(C)C)s1 ZINC000380086979 365868509 /nfs/dbraw/zinc/86/85/09/365868509.db2.gz HUIRIRLHHODAKX-SECBINFHSA-N 0 3 229.364 3.493 20 0 BGADHN C[C@@H](CF)NCc1ccc(C(C)(C)C)s1 ZINC000380086980 365868521 /nfs/dbraw/zinc/86/85/21/365868521.db2.gz HUIRIRLHHODAKX-VIFPVBQESA-N 0 3 229.364 3.493 20 0 BGADHN COc1ccc(F)cc1CNCCCC1CC1 ZINC000380111901 365888230 /nfs/dbraw/zinc/88/82/30/365888230.db2.gz ZRCSAYPUKVWZLY-UHFFFAOYSA-N 0 3 237.318 3.114 20 0 BGADHN CC(C)=CCNC1(c2ccccc2)CC1 ZINC000380115621 365896680 /nfs/dbraw/zinc/89/66/80/365896680.db2.gz PJPXSULTZXAGIN-UHFFFAOYSA-N 0 3 201.313 3.232 20 0 BGADHN CC(C)=CCCN[C@@H](C)c1cnc(C)s1 ZINC000380141553 538985867 /nfs/dbraw/zinc/98/58/67/538985867.db2.gz VSPFFVQUPRDMOV-JTQLQIEISA-N 0 3 224.373 3.458 20 0 BGADHN CC(C)=CCCN[C@H](C)c1cnc(C)s1 ZINC000380141563 538985919 /nfs/dbraw/zinc/98/59/19/538985919.db2.gz VSPFFVQUPRDMOV-SNVBAGLBSA-N 0 3 224.373 3.458 20 0 BGADHN CC1(C)CC(CNCc2ncc(Cl)s2)C1 ZINC000380146929 366012102 /nfs/dbraw/zinc/01/21/02/366012102.db2.gz WXKBNYBJKIKHSY-UHFFFAOYSA-N 0 3 244.791 3.322 20 0 BGADHN Cc1cc(Cl)cc(C)c1CN[C@@H](C)CF ZINC000380158353 350418415 /nfs/dbraw/zinc/41/84/15/350418415.db2.gz ZVSZJPYHBWOOEY-JTQLQIEISA-N 0 3 229.726 3.404 20 0 BGADHN Cc1cc(Cl)cc(C)c1CN[C@H](C)CF ZINC000380158359 350418334 /nfs/dbraw/zinc/41/83/34/350418334.db2.gz ZVSZJPYHBWOOEY-SNVBAGLBSA-N 0 3 229.726 3.404 20 0 BGADHN CSc1ccc([C@H](C)NC2CSC2)cc1 ZINC000380161649 538986523 /nfs/dbraw/zinc/98/65/23/538986523.db2.gz BOTFUJNSJXFNSG-VIFPVBQESA-N 0 3 239.409 3.175 20 0 BGADHN CC(C)(CF)NC/C=C/c1ccccc1 ZINC000380168159 346708647 /nfs/dbraw/zinc/70/86/47/346708647.db2.gz CWZRHZDVSGVYRT-RMKNXTFCSA-N 0 3 207.292 3.038 20 0 BGADHN CC(C)(CF)NC/C=C\c1ccccc1 ZINC000380168160 346708698 /nfs/dbraw/zinc/70/86/98/346708698.db2.gz CWZRHZDVSGVYRT-TWGQIWQCSA-N 0 3 207.292 3.038 20 0 BGADHN CC(C)c1cccc(CNC2CSC2)c1 ZINC000380171310 541460424 /nfs/dbraw/zinc/46/04/24/541460424.db2.gz DOTUHIIAOLJMBT-UHFFFAOYSA-N 0 3 221.369 3.015 20 0 BGADHN C[C@H](CF)N[C@H](C)[C@H](C)c1ccccc1 ZINC000380187719 346381502 /nfs/dbraw/zinc/38/15/02/346381502.db2.gz HAPVLXAEGDPONA-GRYCIOLGSA-N 0 3 209.308 3.126 20 0 BGADHN C[C@H](CF)N[C@H](C)[C@@H](C)c1ccccc1 ZINC000380187725 346381497 /nfs/dbraw/zinc/38/14/97/346381497.db2.gz HAPVLXAEGDPONA-IJLUTSLNSA-N 0 3 209.308 3.126 20 0 BGADHN C[C@H](CF)N[C@@H](C)[C@@H](C)c1ccccc1 ZINC000380187726 346381294 /nfs/dbraw/zinc/38/12/94/346381294.db2.gz HAPVLXAEGDPONA-UTUOFQBUSA-N 0 3 209.308 3.126 20 0 BGADHN C[C@H](CF)N[C@@H](C)[C@H](C)c1ccccc1 ZINC000380187738 346381244 /nfs/dbraw/zinc/38/12/44/346381244.db2.gz HAPVLXAEGDPONA-WOPDTQHZSA-N 0 3 209.308 3.126 20 0 BGADHN CC(C)(C)C(C)(C)CNCc1ccco1 ZINC000380191206 397778447 /nfs/dbraw/zinc/77/84/47/397778447.db2.gz HKDCKYQFXDVKJD-UHFFFAOYSA-N 0 3 209.333 3.442 20 0 BGADHN FCCCNCc1cscc1C(F)(F)F ZINC000380191228 384600861 /nfs/dbraw/zinc/60/08/61/384600861.db2.gz OWTVIWUQSZIXKG-UHFFFAOYSA-N 0 3 241.253 3.216 20 0 BGADHN Clc1sccc1CNCC[C@H]1CCCO1 ZINC000380194107 538986996 /nfs/dbraw/zinc/98/69/96/538986996.db2.gz QJPVSENAEWEJNY-SNVBAGLBSA-N 0 3 245.775 3.060 20 0 BGADHN Clc1cnc(CNC23CCC(CC2)C3)s1 ZINC000380206763 712725060 /nfs/dbraw/zinc/72/50/60/712725060.db2.gz WVSMHXBWPZCRSF-UHFFFAOYSA-N 0 3 242.775 3.219 20 0 BGADHN COc1ccc(F)cc1CN[C@H](C)CC(C)C ZINC000380213776 347175709 /nfs/dbraw/zinc/17/57/09/347175709.db2.gz UTEJNLRQIXMOST-LLVKDONJSA-N 0 3 239.334 3.359 20 0 BGADHN COc1ccc(F)cc1CN[C@@H](C)CC(C)C ZINC000380213783 344720015 /nfs/dbraw/zinc/72/00/15/344720015.db2.gz UTEJNLRQIXMOST-NSHDSACASA-N 0 3 239.334 3.359 20 0 BGADHN Cc1sccc1CN[C@H]1CCC(F)(F)C1 ZINC000380218389 398316618 /nfs/dbraw/zinc/31/66/18/398316618.db2.gz ITVQPHSZALKOFA-JTQLQIEISA-N 0 3 231.311 3.334 20 0 BGADHN Cc1sccc1CN[C@@H]1CCC(F)(F)C1 ZINC000380218406 398191842 /nfs/dbraw/zinc/19/18/42/398191842.db2.gz ITVQPHSZALKOFA-SNVBAGLBSA-N 0 3 231.311 3.334 20 0 BGADHN CC1CCC(C)(NCc2nccs2)CC1 ZINC000380240581 343711003 /nfs/dbraw/zinc/71/10/03/343711003.db2.gz NDBMYVZOFDHXDS-UHFFFAOYSA-N 0 3 224.373 3.202 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CNC[C@H]2CCC=CO2)o1 ZINC000380241037 712843351 /nfs/dbraw/zinc/84/33/51/712843351.db2.gz VSFLFKBOOBNLEY-BZPMIXESSA-N 0 3 247.338 3.185 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CNC[C@@H]2CCC=CO2)o1 ZINC000380241068 712843361 /nfs/dbraw/zinc/84/33/61/712843361.db2.gz VSFLFKBOOBNLEY-DYEKYZERSA-N 0 3 247.338 3.185 20 0 BGADHN C[C@@H]1C[C@H]1c1ccc(CNC[C@@H]2CCC=CO2)o1 ZINC000380241082 712843342 /nfs/dbraw/zinc/84/33/42/712843342.db2.gz VSFLFKBOOBNLEY-MBNYWOFBSA-N 0 3 247.338 3.185 20 0 BGADHN C[C@@H]1C[C@H]1c1ccc(CNC[C@H]2CCC=CO2)o1 ZINC000380241093 712843346 /nfs/dbraw/zinc/84/33/46/712843346.db2.gz VSFLFKBOOBNLEY-YRGRVCCFSA-N 0 3 247.338 3.185 20 0 BGADHN CC(C)[C@H]1CCC[C@@H]1NCc1cscn1 ZINC000380285458 345298079 /nfs/dbraw/zinc/29/80/79/345298079.db2.gz ZYBFZEMWFSORFO-NEPJUHHUSA-N 0 3 224.373 3.057 20 0 BGADHN CC(C)[C@@H]1CCC[C@H]1NCc1cscn1 ZINC000380285459 345297810 /nfs/dbraw/zinc/29/78/10/345297810.db2.gz ZYBFZEMWFSORFO-NWDGAFQWSA-N 0 3 224.373 3.057 20 0 BGADHN CC(C)[C@@H]1CCC[C@@H]1NCc1cscn1 ZINC000380285460 345297921 /nfs/dbraw/zinc/29/79/21/345297921.db2.gz ZYBFZEMWFSORFO-RYUDHWBXSA-N 0 3 224.373 3.057 20 0 BGADHN CC(C)[C@H]1CCC[C@H]1NCc1cscn1 ZINC000380285461 345297790 /nfs/dbraw/zinc/29/77/90/345297790.db2.gz ZYBFZEMWFSORFO-VXGBXAGGSA-N 0 3 224.373 3.057 20 0 BGADHN CO[C@H](CNCc1cscc1Cl)C(C)C ZINC000380295978 538988745 /nfs/dbraw/zinc/98/87/45/538988745.db2.gz CRSZTJOWVBTKQB-LLVKDONJSA-N 0 3 247.791 3.162 20 0 BGADHN CO[C@@H](CNCc1cscc1Cl)C(C)C ZINC000380295981 538988370 /nfs/dbraw/zinc/98/83/70/538988370.db2.gz CRSZTJOWVBTKQB-NSHDSACASA-N 0 3 247.791 3.162 20 0 BGADHN Cc1ccc(CNCCCCF)c(Cl)c1 ZINC000380308128 346239651 /nfs/dbraw/zinc/23/96/51/346239651.db2.gz GFFMFYIAXLGRJE-UHFFFAOYSA-N 0 3 229.726 3.488 20 0 BGADHN COC1(CNCc2cscc2Cl)CCC1 ZINC000380312370 538988438 /nfs/dbraw/zinc/98/84/38/538988438.db2.gz HNQPFSICIAOHCD-UHFFFAOYSA-N 0 3 245.775 3.060 20 0 BGADHN C[C@@H](NCc1cccnc1Cl)C1(C)CC1 ZINC000380320593 712883216 /nfs/dbraw/zinc/88/32/16/712883216.db2.gz KIRJPUXXRFUFJN-SECBINFHSA-N 0 3 224.735 3.013 20 0 BGADHN C[C@H](NCc1cccnc1Cl)C1(C)CC1 ZINC000380320594 712883332 /nfs/dbraw/zinc/88/33/32/712883332.db2.gz KIRJPUXXRFUFJN-VIFPVBQESA-N 0 3 224.735 3.013 20 0 BGADHN COC[C@H](NCc1ccsc1Cl)C(C)C ZINC000380333973 346762683 /nfs/dbraw/zinc/76/26/83/346762683.db2.gz PHVVNQSEILBWFZ-JTQLQIEISA-N 0 3 247.791 3.162 20 0 BGADHN COC[C@@H](NCc1ccsc1Cl)C(C)C ZINC000380333976 346773993 /nfs/dbraw/zinc/77/39/93/346773993.db2.gz PHVVNQSEILBWFZ-SNVBAGLBSA-N 0 3 247.791 3.162 20 0 BGADHN CCc1cnccc1[C@@H](C)NC/C=C\Cl ZINC000380336255 712888507 /nfs/dbraw/zinc/88/85/07/712888507.db2.gz QDASJJVBDHMRRK-AYYIZTPMSA-N 0 3 224.735 3.047 20 0 BGADHN CCc1cnccc1[C@@H](C)NC/C=C/Cl ZINC000380336260 712888281 /nfs/dbraw/zinc/88/82/81/712888281.db2.gz QDASJJVBDHMRRK-DFVUYQKZSA-N 0 3 224.735 3.047 20 0 BGADHN CCc1cnccc1[C@H](C)NC/C=C\Cl ZINC000380336275 712888577 /nfs/dbraw/zinc/88/85/77/712888577.db2.gz QDASJJVBDHMRRK-OAQKJQOQSA-N 0 3 224.735 3.047 20 0 BGADHN CCc1cnccc1[C@H](C)NC/C=C/Cl ZINC000380336278 712888084 /nfs/dbraw/zinc/88/80/84/712888084.db2.gz QDASJJVBDHMRRK-RWCYGVJQSA-N 0 3 224.735 3.047 20 0 BGADHN CSc1ccccc1[C@H](C)NC1CSC1 ZINC000380345116 487471511 /nfs/dbraw/zinc/47/15/11/487471511.db2.gz SWTKBSQILNIUGI-VIFPVBQESA-N 0 3 239.409 3.175 20 0 BGADHN CC[C@@]1(NCc2cscc2Cl)CCOC1 ZINC000380351383 538466326 /nfs/dbraw/zinc/46/63/26/538466326.db2.gz VGVQIGSBCLLNOR-LLVKDONJSA-N 0 3 245.775 3.060 20 0 BGADHN CC[C@]1(NCc2cscc2Cl)CCOC1 ZINC000380351384 538466446 /nfs/dbraw/zinc/46/64/46/538466446.db2.gz VGVQIGSBCLLNOR-NSHDSACASA-N 0 3 245.775 3.060 20 0 BGADHN FC1(F)CC[C@@H](NCc2ccc(Cl)o2)C1 ZINC000380360292 538989588 /nfs/dbraw/zinc/98/95/88/538989588.db2.gz YDUXBDMXBMGTIM-SSDOTTSWSA-N 0 3 235.661 3.210 20 0 BGADHN FC1(F)CC[C@H](NCc2ccc(Cl)o2)C1 ZINC000380360293 538989744 /nfs/dbraw/zinc/98/97/44/538989744.db2.gz YDUXBDMXBMGTIM-ZETCQYMHSA-N 0 3 235.661 3.210 20 0 BGADHN Cc1ccoc1CNCC1CC(C)(C)C1 ZINC000380360952 367192514 /nfs/dbraw/zinc/19/25/14/367192514.db2.gz YJMRARMCTCMHCZ-UHFFFAOYSA-N 0 3 207.317 3.114 20 0 BGADHN CC1(NCc2cscc2Cl)CCOCC1 ZINC000380361450 538990007 /nfs/dbraw/zinc/99/00/07/538990007.db2.gz YRDXRLIPYWJXKC-UHFFFAOYSA-N 0 3 245.775 3.060 20 0 BGADHN C[C@@H]1CC[C@H]1NCc1nc(C(C)(C)C)cs1 ZINC000380533622 712901249 /nfs/dbraw/zinc/90/12/49/712901249.db2.gz FEVXDLSNHZOUNU-NXEZZACHSA-N 0 3 238.400 3.329 20 0 BGADHN C[C@H]1CC[C@@H]1NCc1nc(C(C)(C)C)cs1 ZINC000380533623 712901436 /nfs/dbraw/zinc/90/14/36/712901436.db2.gz FEVXDLSNHZOUNU-UWVGGRQHSA-N 0 3 238.400 3.329 20 0 BGADHN C[C@H]1CC[C@H]1NCc1nc(C(C)(C)C)cs1 ZINC000380533624 712901240 /nfs/dbraw/zinc/90/12/40/712901240.db2.gz FEVXDLSNHZOUNU-VHSXEESVSA-N 0 3 238.400 3.329 20 0 BGADHN C[C@@H]1CC[C@@H]1NCc1nc(C(C)(C)C)cs1 ZINC000380533950 712901405 /nfs/dbraw/zinc/90/14/05/712901405.db2.gz FEVXDLSNHZOUNU-ZJUUUORDSA-N 0 3 238.400 3.329 20 0 BGADHN Cc1noc(C)c1[C@H](C)N[C@@H]1CCC1(C)C ZINC000380600426 538990967 /nfs/dbraw/zinc/99/09/67/538990967.db2.gz VBVZGNUKTMMNKA-GZMMTYOYSA-N 0 3 222.332 3.131 20 0 BGADHN Cc1noc(C)c1[C@@H](C)N[C@H]1CCC1(C)C ZINC000380600431 538990816 /nfs/dbraw/zinc/99/08/16/538990816.db2.gz VBVZGNUKTMMNKA-KCJUWKMLSA-N 0 3 222.332 3.131 20 0 BGADHN Cc1noc(C)c1[C@H](C)N[C@H]1CCC1(C)C ZINC000380600434 538991076 /nfs/dbraw/zinc/99/10/76/538991076.db2.gz VBVZGNUKTMMNKA-KWQFWETISA-N 0 3 222.332 3.131 20 0 BGADHN Cc1noc(C)c1[C@@H](C)N[C@@H]1CCC1(C)C ZINC000380600435 538990939 /nfs/dbraw/zinc/99/09/39/538990939.db2.gz VBVZGNUKTMMNKA-LDYMZIIASA-N 0 3 222.332 3.131 20 0 BGADHN Cc1cc(CN[C@H](C)CCCC(C)C)on1 ZINC000380684979 344431409 /nfs/dbraw/zinc/43/14/09/344431409.db2.gz HHRYPJQXLNISJM-LLVKDONJSA-N 0 3 224.348 3.287 20 0 BGADHN Cc1cc(CN[C@@H](C)CCCC(C)C)on1 ZINC000380684980 344431403 /nfs/dbraw/zinc/43/14/03/344431403.db2.gz HHRYPJQXLNISJM-NSHDSACASA-N 0 3 224.348 3.287 20 0 BGADHN CCSCCNCc1cc2ccccc2o1 ZINC000380753354 367296948 /nfs/dbraw/zinc/29/69/48/367296948.db2.gz UPEUERSGKONXEC-UHFFFAOYSA-N 0 3 235.352 3.276 20 0 BGADHN C/C=C\CNCc1ccc(C(F)(F)F)cc1 ZINC000380775594 373539247 /nfs/dbraw/zinc/53/92/47/373539247.db2.gz VRJVGIQEELVDFX-IHWYPQMZSA-N 0 3 229.245 3.371 20 0 BGADHN CCCC[C@H](C)N(C)Cc1cnc(Cl)cn1 ZINC000380984010 710595280 /nfs/dbraw/zinc/59/52/80/710595280.db2.gz CWDZELFHSIGJJQ-JTQLQIEISA-N 0 3 241.766 3.141 20 0 BGADHN CCCC[C@@H](C)N(C)Cc1cnc(Cl)cn1 ZINC000380984013 710595684 /nfs/dbraw/zinc/59/56/84/710595684.db2.gz CWDZELFHSIGJJQ-SNVBAGLBSA-N 0 3 241.766 3.141 20 0 BGADHN CC(C)(NCc1ccc(O)cc1)c1ccccc1 ZINC000380999732 360436187 /nfs/dbraw/zinc/43/61/87/360436187.db2.gz LPBSEYAFLFNYAV-UHFFFAOYSA-N 0 3 241.334 3.417 20 0 BGADHN Cc1cc(CN[C@@H](C)CC2CCCC2)no1 ZINC000381039279 343863017 /nfs/dbraw/zinc/86/30/17/343863017.db2.gz BWLAJFHXBRZDSM-JTQLQIEISA-N 0 3 222.332 3.041 20 0 BGADHN Cc1cc(CN[C@H](C)CC2CCCC2)no1 ZINC000381039281 343862934 /nfs/dbraw/zinc/86/29/34/343862934.db2.gz BWLAJFHXBRZDSM-SNVBAGLBSA-N 0 3 222.332 3.041 20 0 BGADHN Cn1cnc(CN[C@H]2CCCCC23CCCC3)c1 ZINC000381051442 398252286 /nfs/dbraw/zinc/25/22/86/398252286.db2.gz ZARVHURTTBDSER-AWEZNQCLSA-N 0 3 247.386 3.013 20 0 BGADHN Cn1cnc(CN[C@@H]2CCCCC23CCCC3)c1 ZINC000381051449 398252450 /nfs/dbraw/zinc/25/24/50/398252450.db2.gz ZARVHURTTBDSER-CQSZACIVSA-N 0 3 247.386 3.013 20 0 BGADHN Cc1cc([C@@H](C)N[C@@H](C)CC2CCC2)no1 ZINC000381118140 487497533 /nfs/dbraw/zinc/49/75/33/487497533.db2.gz HVDDHFORXJVZPR-GXSJLCMTSA-N 0 3 222.332 3.212 20 0 BGADHN Cc1cc([C@H](C)N[C@H](C)CC2CCC2)no1 ZINC000381118151 487497102 /nfs/dbraw/zinc/49/71/02/487497102.db2.gz HVDDHFORXJVZPR-KOLCDFICSA-N 0 3 222.332 3.212 20 0 BGADHN Cc1cc([C@@H](C)N[C@H](C)CC2CCC2)no1 ZINC000381118152 487497401 /nfs/dbraw/zinc/49/74/01/487497401.db2.gz HVDDHFORXJVZPR-MWLCHTKSSA-N 0 3 222.332 3.212 20 0 BGADHN Cc1cc([C@H](C)N[C@@H](C)CC2CCC2)no1 ZINC000381118160 487497565 /nfs/dbraw/zinc/49/75/65/487497565.db2.gz HVDDHFORXJVZPR-ONGXEEELSA-N 0 3 222.332 3.212 20 0 BGADHN CC(C)c1ncc(CNC2(C3CC3)CC2)s1 ZINC000381133082 344000389 /nfs/dbraw/zinc/00/03/89/344000389.db2.gz LEVMYMYSHZRQEA-UHFFFAOYSA-N 0 3 236.384 3.299 20 0 BGADHN CC(C)CC[C@H](O)CN[C@@H](C)c1ccsc1 ZINC000381140942 487500348 /nfs/dbraw/zinc/50/03/48/487500348.db2.gz MOWSVEKPRDCRDQ-AAEUAGOBSA-N 0 3 241.400 3.196 20 0 BGADHN CC(C)CC[C@@H](O)CN[C@H](C)c1ccsc1 ZINC000381140943 487500185 /nfs/dbraw/zinc/50/01/85/487500185.db2.gz MOWSVEKPRDCRDQ-DGCLKSJQSA-N 0 3 241.400 3.196 20 0 BGADHN CC(C)CC[C@@H](O)CN[C@@H](C)c1ccsc1 ZINC000381140944 487499995 /nfs/dbraw/zinc/49/99/95/487499995.db2.gz MOWSVEKPRDCRDQ-WCQYABFASA-N 0 3 241.400 3.196 20 0 BGADHN CC(C)CC[C@H](O)CN[C@H](C)c1ccsc1 ZINC000381140945 487499851 /nfs/dbraw/zinc/49/98/51/487499851.db2.gz MOWSVEKPRDCRDQ-YPMHNXCESA-N 0 3 241.400 3.196 20 0 BGADHN CC(C)(NCc1csc(C2CC2)n1)C1CC1 ZINC000381152068 344022541 /nfs/dbraw/zinc/02/25/41/344022541.db2.gz PEVLLIBXWYOHDW-UHFFFAOYSA-N 0 3 236.384 3.299 20 0 BGADHN CC(C)=CCN[C@@H]1CCc2ccc(Cl)nc21 ZINC000381172097 710606659 /nfs/dbraw/zinc/60/66/59/710606659.db2.gz UHYBGPLAYWVRDK-LLVKDONJSA-N 0 3 236.746 3.278 20 0 BGADHN CC(C)=CCN[C@H]1CCc2ccc(Cl)nc21 ZINC000381172098 710606223 /nfs/dbraw/zinc/60/62/23/710606223.db2.gz UHYBGPLAYWVRDK-NSHDSACASA-N 0 3 236.746 3.278 20 0 BGADHN c1cc(C2CCC2)ccc1CNC1CSC1 ZINC000381177217 538995600 /nfs/dbraw/zinc/99/56/00/538995600.db2.gz VJUAAEGRXIRUTE-UHFFFAOYSA-N 0 3 233.380 3.159 20 0 BGADHN Cc1cc(CNCc2cccnc2C)cs1 ZINC000381188645 398232348 /nfs/dbraw/zinc/23/23/48/398232348.db2.gz SRAGELVIBWSRSU-UHFFFAOYSA-N 0 3 232.352 3.050 20 0 BGADHN C[C@@H]1C[C@@H]1CN[C@@H]1COc2c1cccc2Cl ZINC000381196593 538996383 /nfs/dbraw/zinc/99/63/83/538996383.db2.gz DTSOVESYXUEAFZ-KBVBSXBZSA-N 0 3 237.730 3.019 20 0 BGADHN C[C@@H]1C[C@@H]1CN[C@H]1COc2c1cccc2Cl ZINC000381196605 538996101 /nfs/dbraw/zinc/99/61/01/538996101.db2.gz DTSOVESYXUEAFZ-LNLATYFQSA-N 0 3 237.730 3.019 20 0 BGADHN C[C@@H]1C[C@H]1CN[C@H]1COc2c1cccc2Cl ZINC000381196632 538996034 /nfs/dbraw/zinc/99/60/34/538996034.db2.gz DTSOVESYXUEAFZ-PTRXPTGYSA-N 0 3 237.730 3.019 20 0 BGADHN C[C@@H]1C[C@H]1CN[C@@H]1COc2c1cccc2Cl ZINC000381196674 538995933 /nfs/dbraw/zinc/99/59/33/538995933.db2.gz DTSOVESYXUEAFZ-VDDIYKPWSA-N 0 3 237.730 3.019 20 0 BGADHN Cc1cc(CNCC2(C)CCCCC2)on1 ZINC000381245949 374098946 /nfs/dbraw/zinc/09/89/46/374098946.db2.gz NFPPBEKQNZCQSE-UHFFFAOYSA-N 0 3 222.332 3.043 20 0 BGADHN CC(C)c1cccc(CNCC2(F)CC2)c1 ZINC000381245958 344268450 /nfs/dbraw/zinc/26/84/50/344268450.db2.gz OFRUURFWEBQQPD-UHFFFAOYSA-N 0 3 221.319 3.402 20 0 BGADHN C[C@@H](CNC(C)(C)CF)c1ccc(F)cc1 ZINC000381266447 384903353 /nfs/dbraw/zinc/90/33/53/384903353.db2.gz UHKGXVFKCGWQIT-JTQLQIEISA-N 0 3 227.298 3.267 20 0 BGADHN C[C@H](CNC(C)(C)CF)c1ccc(F)cc1 ZINC000381266448 384901205 /nfs/dbraw/zinc/90/12/05/384901205.db2.gz UHKGXVFKCGWQIT-SNVBAGLBSA-N 0 3 227.298 3.267 20 0 BGADHN CC(C)c1cnc(CN[C@H]2[C@@H]3CCC[C@@H]32)s1 ZINC000381266935 491128515 /nfs/dbraw/zinc/12/85/15/491128515.db2.gz UJVXNFMLLXPXOF-IWIIMEHWSA-N 0 3 236.384 3.155 20 0 BGADHN CC1(NCc2ccco2)CCC(F)(F)CC1 ZINC000381282859 538997048 /nfs/dbraw/zinc/99/70/48/538997048.db2.gz YSFUMYDZYFJZGH-UHFFFAOYSA-N 0 3 229.270 3.337 20 0 BGADHN Cc1cc(CN[C@H]2CCCCC[C@@H]2C)on1 ZINC000381283664 538997281 /nfs/dbraw/zinc/99/72/81/538997281.db2.gz YTZRRHJUHYIMFG-GWCFXTLKSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1cc(CN[C@@H]2CCCCC[C@@H]2C)on1 ZINC000381283666 538997396 /nfs/dbraw/zinc/99/73/96/538997396.db2.gz YTZRRHJUHYIMFG-GXFFZTMASA-N 0 3 222.332 3.041 20 0 BGADHN Cc1cc(CN[C@H]2CCCCC[C@H]2C)on1 ZINC000381283668 538997240 /nfs/dbraw/zinc/99/72/40/538997240.db2.gz YTZRRHJUHYIMFG-MFKMUULPSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1cc(CN[C@@H]2CCCCC[C@H]2C)on1 ZINC000381283669 538997067 /nfs/dbraw/zinc/99/70/67/538997067.db2.gz YTZRRHJUHYIMFG-ZWNOBZJWSA-N 0 3 222.332 3.041 20 0 BGADHN CC(C)=CCCNCc1cc(F)cc(F)c1 ZINC000381285052 367374966 /nfs/dbraw/zinc/37/49/66/367374966.db2.gz ZIHIUCKKKPILGW-UHFFFAOYSA-N 0 3 225.282 3.411 20 0 BGADHN C[C@H](F)CCNC(C)(C)c1ccccc1F ZINC000381290706 345247501 /nfs/dbraw/zinc/24/75/01/345247501.db2.gz CZMSGNZEOARTMX-JTQLQIEISA-N 0 3 227.298 3.399 20 0 BGADHN C[C@@H](F)CCNC(C)(C)c1ccccc1F ZINC000381290707 345247785 /nfs/dbraw/zinc/24/77/85/345247785.db2.gz CZMSGNZEOARTMX-SNVBAGLBSA-N 0 3 227.298 3.399 20 0 BGADHN Cc1ccnc([C@@H](C)NCCC(C)(C)C)c1 ZINC000381293549 367375737 /nfs/dbraw/zinc/37/57/37/367375737.db2.gz FIBFNJKJDQPHLK-GFCCVEGCSA-N 0 3 220.360 3.477 20 0 BGADHN Cc1ccnc([C@H](C)NCCC(C)(C)C)c1 ZINC000381293551 367375978 /nfs/dbraw/zinc/37/59/78/367375978.db2.gz FIBFNJKJDQPHLK-LBPRGKRZSA-N 0 3 220.360 3.477 20 0 BGADHN CC[C@@H](C)[C@@H](C)NCc1coc(C2CC2)n1 ZINC000381298228 710619137 /nfs/dbraw/zinc/61/91/37/710619137.db2.gz HHTUVSRDXYOETB-NXEZZACHSA-N 0 3 222.332 3.076 20 0 BGADHN CC[C@H](C)[C@H](C)NCc1coc(C2CC2)n1 ZINC000381298229 710619025 /nfs/dbraw/zinc/61/90/25/710619025.db2.gz HHTUVSRDXYOETB-UWVGGRQHSA-N 0 3 222.332 3.076 20 0 BGADHN CC[C@H](C)[C@@H](C)NCc1coc(C2CC2)n1 ZINC000381298230 710619074 /nfs/dbraw/zinc/61/90/74/710619074.db2.gz HHTUVSRDXYOETB-VHSXEESVSA-N 0 3 222.332 3.076 20 0 BGADHN CC[C@@H](C)[C@H](C)NCc1coc(C2CC2)n1 ZINC000381298231 710618927 /nfs/dbraw/zinc/61/89/27/710618927.db2.gz HHTUVSRDXYOETB-ZJUUUORDSA-N 0 3 222.332 3.076 20 0 BGADHN Cc1ncc([C@@H](C)NCC2(C(F)F)CC2)s1 ZINC000381303982 538997638 /nfs/dbraw/zinc/99/76/38/538997638.db2.gz JGBUUAWMTDGMJV-SSDOTTSWSA-N 0 3 246.326 3.147 20 0 BGADHN Cc1ncc([C@H](C)NCC2(C(F)F)CC2)s1 ZINC000381303983 538997884 /nfs/dbraw/zinc/99/78/84/538997884.db2.gz JGBUUAWMTDGMJV-ZETCQYMHSA-N 0 3 246.326 3.147 20 0 BGADHN Cc1ccc(NC2CCN(C3CC3)CC2)c(C)c1 ZINC000381309734 345289075 /nfs/dbraw/zinc/28/90/75/345289075.db2.gz NARMKQCIJGSWCK-UHFFFAOYSA-N 0 3 244.382 3.342 20 0 BGADHN C[C@H](NC1(C2CC2)CC1)c1ccccc1F ZINC000381317003 345301635 /nfs/dbraw/zinc/30/16/35/345301635.db2.gz NLVFKGOSTPNVEP-JTQLQIEISA-N 0 3 219.303 3.419 20 0 BGADHN C[C@@H](NC1(C2CC2)CC1)c1ccccc1F ZINC000381317005 345301738 /nfs/dbraw/zinc/30/17/38/345301738.db2.gz NLVFKGOSTPNVEP-SNVBAGLBSA-N 0 3 219.303 3.419 20 0 BGADHN CCc1cnc(CNCC2CC(C)(C)C2)s1 ZINC000381322372 345315680 /nfs/dbraw/zinc/31/56/80/345315680.db2.gz PJCOYHFCGQDMRO-UHFFFAOYSA-N 0 3 238.400 3.231 20 0 BGADHN C[C@@H]1C[C@@H]1CN[C@@H]1COc2ccc(Cl)cc21 ZINC000381322589 367380925 /nfs/dbraw/zinc/38/09/25/367380925.db2.gz ZDOZJMNVLIWOJK-KBVBSXBZSA-N 0 3 237.730 3.019 20 0 BGADHN C[C@@H]1C[C@@H]1CN[C@H]1COc2ccc(Cl)cc21 ZINC000381322591 367380979 /nfs/dbraw/zinc/38/09/79/367380979.db2.gz ZDOZJMNVLIWOJK-LNLATYFQSA-N 0 3 237.730 3.019 20 0 BGADHN C[C@@H]1C[C@H]1CN[C@H]1COc2ccc(Cl)cc21 ZINC000381322594 367380949 /nfs/dbraw/zinc/38/09/49/367380949.db2.gz ZDOZJMNVLIWOJK-PTRXPTGYSA-N 0 3 237.730 3.019 20 0 BGADHN C[C@@H]1C[C@H]1CN[C@@H]1COc2ccc(Cl)cc21 ZINC000381322598 367381127 /nfs/dbraw/zinc/38/11/27/367381127.db2.gz ZDOZJMNVLIWOJK-VDDIYKPWSA-N 0 3 237.730 3.019 20 0 BGADHN C[C@@H](NCCCOC(C)(C)C)c1ccco1 ZINC000381329420 538998239 /nfs/dbraw/zinc/99/82/39/538998239.db2.gz SLGVKBNBXYRQCH-LLVKDONJSA-N 0 3 225.332 3.135 20 0 BGADHN C[C@H](NCCCOC(C)(C)C)c1ccco1 ZINC000381329421 538998305 /nfs/dbraw/zinc/99/83/05/538998305.db2.gz SLGVKBNBXYRQCH-NSHDSACASA-N 0 3 225.332 3.135 20 0 BGADHN C[C@@H](NCC1CCCCCC1)c1ccon1 ZINC000381335713 367383340 /nfs/dbraw/zinc/38/33/40/367383340.db2.gz VPDCAJDFKBBGPF-LLVKDONJSA-N 0 3 222.332 3.296 20 0 BGADHN C[C@H](NCC1CCCCCC1)c1ccon1 ZINC000381335714 345380383 /nfs/dbraw/zinc/38/03/83/345380383.db2.gz VPDCAJDFKBBGPF-NSHDSACASA-N 0 3 222.332 3.296 20 0 BGADHN Cc1ccc(CCN[C@H](C)c2ccoc2)o1 ZINC000381340895 367384255 /nfs/dbraw/zinc/38/42/55/367384255.db2.gz XOZNHUCLVIESRJ-LLVKDONJSA-N 0 3 219.284 3.074 20 0 BGADHN Cc1ccc(CCN[C@@H](C)c2ccoc2)o1 ZINC000381340897 367384006 /nfs/dbraw/zinc/38/40/06/367384006.db2.gz XOZNHUCLVIESRJ-NSHDSACASA-N 0 3 219.284 3.074 20 0 BGADHN CC[C@H](C)[C@@H](CNC/C=C\c1ccccc1)OC ZINC000381342829 367383906 /nfs/dbraw/zinc/38/39/06/367383906.db2.gz CCFVNXUTKRVRTQ-CKSNUIATSA-N 0 3 247.382 3.351 20 0 BGADHN CC[C@H](C)[C@H](CNC/C=C/c1ccccc1)OC ZINC000381342831 367384036 /nfs/dbraw/zinc/38/40/36/367384036.db2.gz CCFVNXUTKRVRTQ-DOLYSSGKSA-N 0 3 247.382 3.351 20 0 BGADHN CC[C@H](C)[C@@H](CNC/C=C/c1ccccc1)OC ZINC000381342832 367383925 /nfs/dbraw/zinc/38/39/25/367383925.db2.gz CCFVNXUTKRVRTQ-MOWVAICQSA-N 0 3 247.382 3.351 20 0 BGADHN CC[C@H](C)[C@H](CNC/C=C\c1ccccc1)OC ZINC000381342834 367383955 /nfs/dbraw/zinc/38/39/55/367383955.db2.gz CCFVNXUTKRVRTQ-TXAXFISLSA-N 0 3 247.382 3.351 20 0 BGADHN Cc1noc(C)c1[C@@H](C)NC1CC(C)(C)C1 ZINC000381343549 538467498 /nfs/dbraw/zinc/46/74/98/538467498.db2.gz YELXAGAAIVXZET-MRVPVSSYSA-N 0 3 222.332 3.131 20 0 BGADHN Cc1noc(C)c1[C@H](C)NC1CC(C)(C)C1 ZINC000381343550 538467326 /nfs/dbraw/zinc/46/73/26/538467326.db2.gz YELXAGAAIVXZET-QMMMGPOBSA-N 0 3 222.332 3.131 20 0 BGADHN C/C=C/CN[C@@H](C)c1ccccc1OCC ZINC000381345688 538998881 /nfs/dbraw/zinc/99/88/81/538998881.db2.gz YYAVZFYHRFRCHT-FUEXJSSKSA-N 0 3 219.328 3.312 20 0 BGADHN C/C=C/CN[C@H](C)c1ccccc1OCC ZINC000381345690 538998779 /nfs/dbraw/zinc/99/87/79/538998779.db2.gz YYAVZFYHRFRCHT-FVOPLDGLSA-N 0 3 219.328 3.312 20 0 BGADHN C/C=C\CN[C@@H](C)c1ccccc1OCC ZINC000381345700 538998655 /nfs/dbraw/zinc/99/86/55/538998655.db2.gz YYAVZFYHRFRCHT-RNZFLTOJSA-N 0 3 219.328 3.312 20 0 BGADHN C/C=C\CN[C@H](C)c1ccccc1OCC ZINC000381345706 538999009 /nfs/dbraw/zinc/99/90/09/538999009.db2.gz YYAVZFYHRFRCHT-TXNVCOODSA-N 0 3 219.328 3.312 20 0 BGADHN COC(C)(C)CN[C@@H](C)c1csc(C)c1 ZINC000381347901 367385405 /nfs/dbraw/zinc/38/54/05/367385405.db2.gz HCPPGBRKQGIXDJ-JTQLQIEISA-N 0 3 227.373 3.132 20 0 BGADHN COC(C)(C)CN[C@H](C)c1csc(C)c1 ZINC000381347902 367384391 /nfs/dbraw/zinc/38/43/91/367384391.db2.gz HCPPGBRKQGIXDJ-SNVBAGLBSA-N 0 3 227.373 3.132 20 0 BGADHN CCCC[C@@H](CC)CNCc1snnc1C ZINC000381351295 398254254 /nfs/dbraw/zinc/25/42/54/398254254.db2.gz BQLZSMFNTLTOOH-LLVKDONJSA-N 0 3 241.404 3.153 20 0 BGADHN CCCC[C@H](CC)CNCc1snnc1C ZINC000381351301 398254030 /nfs/dbraw/zinc/25/40/30/398254030.db2.gz BQLZSMFNTLTOOH-NSHDSACASA-N 0 3 241.404 3.153 20 0 BGADHN Cc1cc(CN[C@H]2CCCCC[C@@H]2C)no1 ZINC000381352530 538998902 /nfs/dbraw/zinc/99/89/02/538998902.db2.gz BTCXTNTVUPYBRZ-GWCFXTLKSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1cc(CN[C@@H]2CCCCC[C@@H]2C)no1 ZINC000381352536 538998773 /nfs/dbraw/zinc/99/87/73/538998773.db2.gz BTCXTNTVUPYBRZ-GXFFZTMASA-N 0 3 222.332 3.041 20 0 BGADHN Cc1cc(CN[C@H]2CCCCC[C@H]2C)no1 ZINC000381352538 538998668 /nfs/dbraw/zinc/99/86/68/538998668.db2.gz BTCXTNTVUPYBRZ-MFKMUULPSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1cc(CN[C@@H]2CCCCC[C@H]2C)no1 ZINC000381352541 538999000 /nfs/dbraw/zinc/99/90/00/538999000.db2.gz BTCXTNTVUPYBRZ-ZWNOBZJWSA-N 0 3 222.332 3.041 20 0 BGADHN CCC[C@@H](NC1(COC)CC1)c1ccsc1 ZINC000381352569 367385514 /nfs/dbraw/zinc/38/55/14/367385514.db2.gz CCYRDZVTQHVMME-GFCCVEGCSA-N 0 3 239.384 3.358 20 0 BGADHN CCC[C@H](NC1(COC)CC1)c1ccsc1 ZINC000381352576 367385721 /nfs/dbraw/zinc/38/57/21/367385721.db2.gz CCYRDZVTQHVMME-LBPRGKRZSA-N 0 3 239.384 3.358 20 0 BGADHN CCC(CC)(CC)NCc1oc(C)nc1C ZINC000381353061 538998781 /nfs/dbraw/zinc/99/87/81/538998781.db2.gz CFPZOPSMWDUJEX-UHFFFAOYSA-N 0 3 224.348 3.350 20 0 BGADHN Cc1cccc(C2(NCCF)CCCC2)c1 ZINC000381354599 345460132 /nfs/dbraw/zinc/46/01/32/345460132.db2.gz CUMGYGWRXWCMBQ-UHFFFAOYSA-N 0 3 221.319 3.323 20 0 BGADHN CC(C)[C@@H]1CC[C@H]1NCc1ccccc1F ZINC000381361850 538999390 /nfs/dbraw/zinc/99/93/90/538999390.db2.gz DGKNRKGDGSZTIG-GXTWGEPZSA-N 0 3 221.319 3.350 20 0 BGADHN CC(C)[C@@H]1CC[C@@H]1NCc1ccccc1F ZINC000381361859 538999140 /nfs/dbraw/zinc/99/91/40/538999140.db2.gz DGKNRKGDGSZTIG-JSGCOSHPSA-N 0 3 221.319 3.350 20 0 BGADHN CC(C)[C@H]1CC[C@@H]1NCc1ccccc1F ZINC000381361863 538999287 /nfs/dbraw/zinc/99/92/87/538999287.db2.gz DGKNRKGDGSZTIG-OCCSQVGLSA-N 0 3 221.319 3.350 20 0 BGADHN CC(C)[C@H]1CC[C@H]1NCc1ccccc1F ZINC000381361865 538999281 /nfs/dbraw/zinc/99/92/81/538999281.db2.gz DGKNRKGDGSZTIG-TZMCWYRMSA-N 0 3 221.319 3.350 20 0 BGADHN Cc1cc(C)cc(CN[C@@H]2CSC2(C)C)c1 ZINC000381366633 345558327 /nfs/dbraw/zinc/55/83/27/345558327.db2.gz GYWRRPYDRWHYMR-CYBMUJFWSA-N 0 3 235.396 3.287 20 0 BGADHN Cc1cc(C)cc(CN[C@H]2CSC2(C)C)c1 ZINC000381366635 345557993 /nfs/dbraw/zinc/55/79/93/345557993.db2.gz GYWRRPYDRWHYMR-ZDUSSCGKSA-N 0 3 235.396 3.287 20 0 BGADHN COc1ccsc1[C@@H](C)NC1(C2CC2)CC1 ZINC000381373789 367390502 /nfs/dbraw/zinc/39/05/02/367390502.db2.gz JEIUHEXJQWECCT-SECBINFHSA-N 0 3 237.368 3.350 20 0 BGADHN COc1ccsc1[C@H](C)NC1(C2CC2)CC1 ZINC000381373792 367390454 /nfs/dbraw/zinc/39/04/54/367390454.db2.gz JEIUHEXJQWECCT-VIFPVBQESA-N 0 3 237.368 3.350 20 0 BGADHN CC[C@@H](F)CNC1(c2ccccc2)CCC1 ZINC000381382554 367391519 /nfs/dbraw/zinc/39/15/19/367391519.db2.gz LRFLVBBPWQSTIJ-CYBMUJFWSA-N 0 3 221.319 3.404 20 0 BGADHN CC[C@H](F)CNC1(c2ccccc2)CCC1 ZINC000381382559 367391179 /nfs/dbraw/zinc/39/11/79/367391179.db2.gz LRFLVBBPWQSTIJ-ZDUSSCGKSA-N 0 3 221.319 3.404 20 0 BGADHN c1sc(CNC2(C3CC3)CC2)nc1C1CC1 ZINC000381385337 345783720 /nfs/dbraw/zinc/78/37/20/345783720.db2.gz LVJCKKHVPSQBJD-UHFFFAOYSA-N 0 3 234.368 3.053 20 0 BGADHN CCCCOCCNC(C)(C)c1cccs1 ZINC000381395456 345796742 /nfs/dbraw/zinc/79/67/42/345796742.db2.gz PLRMLLSOTVFBHF-UHFFFAOYSA-N 0 3 241.400 3.390 20 0 BGADHN CCCC[C@@H](CCC)NCc1n[nH]cc1C ZINC000381399625 367393955 /nfs/dbraw/zinc/39/39/55/367393955.db2.gz QPVUVWGYTLIDLE-GFCCVEGCSA-N 0 3 223.364 3.167 20 0 BGADHN CCCC[C@H](CCC)NCc1n[nH]cc1C ZINC000381399631 367393980 /nfs/dbraw/zinc/39/39/80/367393980.db2.gz QPVUVWGYTLIDLE-LBPRGKRZSA-N 0 3 223.364 3.167 20 0 BGADHN Cc1ccc(CNCC(C)(C)C(F)(F)F)o1 ZINC000381401066 487506614 /nfs/dbraw/zinc/50/66/14/487506614.db2.gz QZWMAOMNQRAJNS-UHFFFAOYSA-N 0 3 235.249 3.266 20 0 BGADHN CCSCCNC(C)(C)c1ccccc1F ZINC000381417099 367399489 /nfs/dbraw/zinc/39/94/89/367399489.db2.gz WLGIYCQHBCFWDE-UHFFFAOYSA-N 0 3 241.375 3.404 20 0 BGADHN CCC[C@H](C)NCc1nc2c(s1)CCCC2 ZINC000381422493 710635257 /nfs/dbraw/zinc/63/52/57/710635257.db2.gz XSJYCCBLWSAREL-JTQLQIEISA-N 0 3 238.400 3.300 20 0 BGADHN CCC[C@@H](C)NCc1nc2c(s1)CCCC2 ZINC000381422494 710635369 /nfs/dbraw/zinc/63/53/69/710635369.db2.gz XSJYCCBLWSAREL-SNVBAGLBSA-N 0 3 238.400 3.300 20 0 BGADHN Cc1nc(CN[C@@H]2CCC23CCC3)sc1C ZINC000381422570 488200066 /nfs/dbraw/zinc/20/00/66/488200066.db2.gz XTAKNCNLDNDTFZ-LLVKDONJSA-N 0 3 236.384 3.182 20 0 BGADHN Cc1nc(CN[C@H]2CCC23CCC3)sc1C ZINC000381422579 487508039 /nfs/dbraw/zinc/50/80/39/487508039.db2.gz XTAKNCNLDNDTFZ-NSHDSACASA-N 0 3 236.384 3.182 20 0 BGADHN Cc1nc([C@@H](C)NC2(C3CC3)CC2)c(C)s1 ZINC000381439182 539000525 /nfs/dbraw/zinc/00/05/25/539000525.db2.gz DOIVLPVOMZYOFD-MRVPVSSYSA-N 0 3 236.384 3.353 20 0 BGADHN Cc1nc([C@H](C)NC2(C3CC3)CC2)c(C)s1 ZINC000381439184 539000686 /nfs/dbraw/zinc/00/06/86/539000686.db2.gz DOIVLPVOMZYOFD-QMMMGPOBSA-N 0 3 236.384 3.353 20 0 BGADHN CC1(C)CCC[C@@H](CNCc2nccs2)C1 ZINC000381441439 539000655 /nfs/dbraw/zinc/00/06/55/539000655.db2.gz ZJMKUFTUSQPMNH-LLVKDONJSA-N 0 3 238.400 3.449 20 0 BGADHN CC1(C)CCC[C@H](CNCc2nccs2)C1 ZINC000381441440 539000877 /nfs/dbraw/zinc/00/08/77/539000877.db2.gz ZJMKUFTUSQPMNH-NSHDSACASA-N 0 3 238.400 3.449 20 0 BGADHN FC1(F)CC[C@H](Nc2ccnc3ccccc32)C1 ZINC000381443354 539000593 /nfs/dbraw/zinc/00/05/93/539000593.db2.gz MQEABIPIVAHKPS-JTQLQIEISA-N 0 3 248.276 3.256 20 0 BGADHN FC1(F)CC[C@@H](Nc2ccnc3ccccc32)C1 ZINC000381443356 539000811 /nfs/dbraw/zinc/00/08/11/539000811.db2.gz MQEABIPIVAHKPS-SNVBAGLBSA-N 0 3 248.276 3.256 20 0 BGADHN CC1CC(N[C@H]2COc3c2cccc3Cl)C1 ZINC000381445984 539000864 /nfs/dbraw/zinc/00/08/64/539000864.db2.gz FTCCASAFCITLTG-KWPJZBAWSA-N 0 3 237.730 3.162 20 0 BGADHN CC1CC(N[C@@H]2COc3c2cccc3Cl)C1 ZINC000381445988 539000804 /nfs/dbraw/zinc/00/08/04/539000804.db2.gz FTCCASAFCITLTG-SHVIVCPWSA-N 0 3 237.730 3.162 20 0 BGADHN CC(C)c1cc(CNCC2(C)CCC2)on1 ZINC000381450192 539000808 /nfs/dbraw/zinc/00/08/08/539000808.db2.gz HEHMXLJTZBGKBF-UHFFFAOYSA-N 0 3 222.332 3.078 20 0 BGADHN Cc1ncc([C@@H](C)N[C@@H]2CC23CCCC3)s1 ZINC000381461902 539001101 /nfs/dbraw/zinc/00/11/01/539001101.db2.gz LGSCYNNUVHNDSR-BXKDBHETSA-N 0 3 236.384 3.435 20 0 BGADHN Cc1ncc([C@H](C)N[C@H]2CC23CCCC3)s1 ZINC000381461905 539001010 /nfs/dbraw/zinc/00/10/10/539001010.db2.gz LGSCYNNUVHNDSR-CABZTGNLSA-N 0 3 236.384 3.435 20 0 BGADHN Cc1ncc([C@H](C)N[C@@H]2CC23CCCC3)s1 ZINC000381461908 539001342 /nfs/dbraw/zinc/00/13/42/539001342.db2.gz LGSCYNNUVHNDSR-JOYOIKCWSA-N 0 3 236.384 3.435 20 0 BGADHN Cc1ncc([C@@H](C)N[C@H]2CC23CCCC3)s1 ZINC000381461911 539001356 /nfs/dbraw/zinc/00/13/56/539001356.db2.gz LGSCYNNUVHNDSR-SKDRFNHKSA-N 0 3 236.384 3.435 20 0 BGADHN CO[C@@H]1CCC[C@H]1N[C@@H](C)c1csc(C)c1 ZINC000381463636 367410775 /nfs/dbraw/zinc/41/07/75/367410775.db2.gz JNWZGOCOIHPGMZ-CYZMBNFOSA-N 0 3 239.384 3.275 20 0 BGADHN CO[C@@H]1CCC[C@H]1N[C@H](C)c1csc(C)c1 ZINC000381463638 367410511 /nfs/dbraw/zinc/41/05/11/367410511.db2.gz JNWZGOCOIHPGMZ-RAIGVLPGSA-N 0 3 239.384 3.275 20 0 BGADHN COCC1(NCc2cc(C)sc2C)CCC1 ZINC000381465348 345973108 /nfs/dbraw/zinc/97/31/08/345973108.db2.gz MKNKGWYJVYEAGC-UHFFFAOYSA-N 0 3 239.384 3.024 20 0 BGADHN CC(C)=CCCNCc1cnc(C2CC2)s1 ZINC000381466330 345976456 /nfs/dbraw/zinc/97/64/56/345976456.db2.gz LGADUDYGYCBXPS-UHFFFAOYSA-N 0 3 236.384 3.466 20 0 BGADHN C/C(=C\c1ccccc1)CNC(C)(C)CF ZINC000381467055 345981360 /nfs/dbraw/zinc/98/13/60/345981360.db2.gz LKRHDDVWJDQXRA-FMIVXFBMSA-N 0 3 221.319 3.428 20 0 BGADHN C/C(=C/c1ccccc1)CNC(C)(C)CF ZINC000381467056 345980840 /nfs/dbraw/zinc/98/08/40/345980840.db2.gz LKRHDDVWJDQXRA-XFXZXTDPSA-N 0 3 221.319 3.428 20 0 BGADHN CC(C)C1CC(NCc2ccc(Cl)cn2)C1 ZINC000381467576 367410851 /nfs/dbraw/zinc/41/08/51/367410851.db2.gz LPOMCMDGAPNUTJ-UHFFFAOYSA-N 0 3 238.762 3.259 20 0 BGADHN C[C@@H](N[C@@H]1CC2CCC1CC2)c1cscn1 ZINC000381471326 346004674 /nfs/dbraw/zinc/00/46/74/346004674.db2.gz OPRNANQLRXZJMB-HBIQZDMRSA-N 0 3 236.384 3.372 20 0 BGADHN C[C@H](N[C@@H]1CC2CCC1CC2)c1cscn1 ZINC000381471327 346004650 /nfs/dbraw/zinc/00/46/50/346004650.db2.gz OPRNANQLRXZJMB-WNYYMSAVSA-N 0 3 236.384 3.372 20 0 BGADHN C[C@H](N[C@H]1CC2CCC1CC2)c1cscn1 ZINC000381471329 346004669 /nfs/dbraw/zinc/00/46/69/346004669.db2.gz OPRNANQLRXZJMB-XKGSQUFQSA-N 0 3 236.384 3.372 20 0 BGADHN C[C@@H](N[C@H]1CC2CCC1CC2)c1cscn1 ZINC000381471331 346004593 /nfs/dbraw/zinc/00/45/93/346004593.db2.gz OPRNANQLRXZJMB-YYJSSNLHSA-N 0 3 236.384 3.372 20 0 BGADHN CC(C)(C)c1ccc(CCNCCF)cc1 ZINC000381471390 346005788 /nfs/dbraw/zinc/00/57/88/346005788.db2.gz MTJYOMAKELJUBH-UHFFFAOYSA-N 0 3 223.335 3.086 20 0 BGADHN Cc1cc([C@H](C)NC[C@@H](C)C(C)(C)C)no1 ZINC000381471637 710641254 /nfs/dbraw/zinc/64/12/54/710641254.db2.gz MUGIQESJNJUAIW-KOLCDFICSA-N 0 3 224.348 3.316 20 0 BGADHN Cc1cc([C@H](C)NC[C@H](C)C(C)(C)C)no1 ZINC000381471662 710641561 /nfs/dbraw/zinc/64/15/61/710641561.db2.gz MUGIQESJNJUAIW-ONGXEEELSA-N 0 3 224.348 3.316 20 0 BGADHN C[C@@H](NC1CC(F)(F)C1)c1ccnc(Cl)c1 ZINC000381474398 710642657 /nfs/dbraw/zinc/64/26/57/710642657.db2.gz PZEBGDOUNDWZMB-SSDOTTSWSA-N 0 3 246.688 3.183 20 0 BGADHN C[C@H](NC1CC(F)(F)C1)c1ccnc(Cl)c1 ZINC000381474399 710642352 /nfs/dbraw/zinc/64/23/52/710642352.db2.gz PZEBGDOUNDWZMB-ZETCQYMHSA-N 0 3 246.688 3.183 20 0 BGADHN CC(C)c1cc(CN[C@@H]2CCC2(C)C)on1 ZINC000381475106 539001630 /nfs/dbraw/zinc/00/16/30/539001630.db2.gz QGLBVLWELFCNBL-GFCCVEGCSA-N 0 3 222.332 3.076 20 0 BGADHN CC(C)c1cc(CN[C@H]2CCC2(C)C)on1 ZINC000381475107 539001633 /nfs/dbraw/zinc/00/16/33/539001633.db2.gz QGLBVLWELFCNBL-LBPRGKRZSA-N 0 3 222.332 3.076 20 0 BGADHN CCc1nc(CN[C@H]2CC[C@@H]2C(C)C)cs1 ZINC000381477235 539001461 /nfs/dbraw/zinc/00/14/61/539001461.db2.gz ABUHILPAVVBRTL-NEPJUHHUSA-N 0 3 238.400 3.230 20 0 BGADHN CCc1nc(CN[C@@H]2CC[C@H]2C(C)C)cs1 ZINC000381477236 539001664 /nfs/dbraw/zinc/00/16/64/539001664.db2.gz ABUHILPAVVBRTL-NWDGAFQWSA-N 0 3 238.400 3.230 20 0 BGADHN CCc1nc(CN[C@H]2CC[C@H]2C(C)C)cs1 ZINC000381477237 539001857 /nfs/dbraw/zinc/00/18/57/539001857.db2.gz ABUHILPAVVBRTL-RYUDHWBXSA-N 0 3 238.400 3.230 20 0 BGADHN CCc1nc(CN[C@@H]2CC[C@@H]2C(C)C)cs1 ZINC000381477238 539001587 /nfs/dbraw/zinc/00/15/87/539001587.db2.gz ABUHILPAVVBRTL-VXGBXAGGSA-N 0 3 238.400 3.230 20 0 BGADHN CCCc1cccc(CNC(C)(C)CF)c1 ZINC000381479579 346031385 /nfs/dbraw/zinc/03/13/85/346031385.db2.gz SFEPXYPQJZSFAD-UHFFFAOYSA-N 0 3 223.335 3.477 20 0 BGADHN C[C@@H]1CCCC[C@H]1CCNCc1nccs1 ZINC000381481401 344511549 /nfs/dbraw/zinc/51/15/49/344511549.db2.gz STYOHJSXTRJEPG-NEPJUHHUSA-N 0 3 238.400 3.449 20 0 BGADHN C[C@H]1CCCC[C@@H]1CCNCc1nccs1 ZINC000381481403 344511327 /nfs/dbraw/zinc/51/13/27/344511327.db2.gz STYOHJSXTRJEPG-NWDGAFQWSA-N 0 3 238.400 3.449 20 0 BGADHN C[C@H]1CCCC[C@H]1CCNCc1nccs1 ZINC000381481405 344511527 /nfs/dbraw/zinc/51/15/27/344511527.db2.gz STYOHJSXTRJEPG-RYUDHWBXSA-N 0 3 238.400 3.449 20 0 BGADHN C[C@@H]1CCCC[C@@H]1CCNCc1nccs1 ZINC000381481407 344511616 /nfs/dbraw/zinc/51/16/16/344511616.db2.gz STYOHJSXTRJEPG-VXGBXAGGSA-N 0 3 238.400 3.449 20 0 BGADHN CCc1nc(CNC23CCC(CC2)C3)cs1 ZINC000381481573 710643740 /nfs/dbraw/zinc/64/37/40/710643740.db2.gz DVESKEJKLDVEPE-UHFFFAOYSA-N 0 3 236.384 3.128 20 0 BGADHN FCCNC1(c2ccc(F)cc2)CCCC1 ZINC000381482912 367417095 /nfs/dbraw/zinc/41/70/95/367417095.db2.gz FXPWRMDYFSCJKS-UHFFFAOYSA-N 0 3 225.282 3.154 20 0 BGADHN CCc1cnc(CN[C@H]2CC[C@@H]2C(C)C)s1 ZINC000381485846 539002066 /nfs/dbraw/zinc/00/20/66/539002066.db2.gz VGVNKAWMWRWRJW-NEPJUHHUSA-N 0 3 238.400 3.230 20 0 BGADHN CCc1cnc(CN[C@@H]2CC[C@H]2C(C)C)s1 ZINC000381485847 539002035 /nfs/dbraw/zinc/00/20/35/539002035.db2.gz VGVNKAWMWRWRJW-NWDGAFQWSA-N 0 3 238.400 3.230 20 0 BGADHN CCc1cnc(CN[C@H]2CC[C@H]2C(C)C)s1 ZINC000381485848 539001988 /nfs/dbraw/zinc/00/19/88/539001988.db2.gz VGVNKAWMWRWRJW-RYUDHWBXSA-N 0 3 238.400 3.230 20 0 BGADHN CCc1cnc(CN[C@@H]2CC[C@@H]2C(C)C)s1 ZINC000381485849 539002142 /nfs/dbraw/zinc/00/21/42/539002142.db2.gz VGVNKAWMWRWRJW-VXGBXAGGSA-N 0 3 238.400 3.230 20 0 BGADHN FCCNC1(c2ccccc2)CCCCC1 ZINC000381486790 367417511 /nfs/dbraw/zinc/41/75/11/367417511.db2.gz JLEMSJOGVXCIHO-UHFFFAOYSA-N 0 3 221.319 3.405 20 0 BGADHN Cc1ccc(CNC[C@@H]2CCCC2(F)F)o1 ZINC000381490796 367418158 /nfs/dbraw/zinc/41/81/58/367418158.db2.gz HJKQXENITDQGKO-JTQLQIEISA-N 0 3 229.270 3.113 20 0 BGADHN Cc1ccc(CNC[C@H]2CCCC2(F)F)o1 ZINC000381490797 367418042 /nfs/dbraw/zinc/41/80/42/367418042.db2.gz HJKQXENITDQGKO-SNVBAGLBSA-N 0 3 229.270 3.113 20 0 BGADHN CCC(CC)(CC)CNCc1nnc(C)s1 ZINC000381494973 539001996 /nfs/dbraw/zinc/00/19/96/539001996.db2.gz BBHVUYPIVZHUOQ-UHFFFAOYSA-N 0 3 241.404 3.153 20 0 BGADHN CCc1cccc(F)c1CNCCC1CC1 ZINC000381499607 539002424 /nfs/dbraw/zinc/00/24/24/539002424.db2.gz FGZVUISDUOLGQU-UHFFFAOYSA-N 0 3 221.319 3.278 20 0 BGADHN Cc1cc(CN[C@@H](C)[C@@H]2CC3CCC2CC3)on1 ZINC000381500777 398260355 /nfs/dbraw/zinc/26/03/55/398260355.db2.gz JDBUSMCQRDWVIG-CLTVBZQCSA-N 0 3 248.370 3.287 20 0 BGADHN Cc1cc(CN[C@@H](C)[C@H]2CC3CCC2CC3)on1 ZINC000381500778 398260298 /nfs/dbraw/zinc/26/02/98/398260298.db2.gz JDBUSMCQRDWVIG-LFUGVXIPSA-N 0 3 248.370 3.287 20 0 BGADHN Cc1cc(CN[C@H](C)[C@@H]2CC3CCC2CC3)on1 ZINC000381500779 398260519 /nfs/dbraw/zinc/26/05/19/398260519.db2.gz JDBUSMCQRDWVIG-LPXQKFACSA-N 0 3 248.370 3.287 20 0 BGADHN Cc1cc(CN[C@H](C)[C@H]2CC3CCC2CC3)on1 ZINC000381500780 398260467 /nfs/dbraw/zinc/26/04/67/398260467.db2.gz JDBUSMCQRDWVIG-XZNOPERXSA-N 0 3 248.370 3.287 20 0 BGADHN CC(C)(C)OCCNC(C)(C)c1cccs1 ZINC000381500858 346167331 /nfs/dbraw/zinc/16/73/31/346167331.db2.gz OWJANONJDLUXIO-UHFFFAOYSA-N 0 3 241.400 3.388 20 0 BGADHN C[C@@H]1C[C@@H]1CNCc1ncc(C(C)(C)C)s1 ZINC000381502936 346170030 /nfs/dbraw/zinc/17/00/30/346170030.db2.gz PIDNBBPJFFOGHK-NXEZZACHSA-N 0 3 238.400 3.186 20 0 BGADHN C[C@H]1C[C@H]1CNCc1ncc(C(C)(C)C)s1 ZINC000381502937 346170018 /nfs/dbraw/zinc/17/00/18/346170018.db2.gz PIDNBBPJFFOGHK-UWVGGRQHSA-N 0 3 238.400 3.186 20 0 BGADHN C[C@H]1C[C@@H]1CNCc1ncc(C(C)(C)C)s1 ZINC000381502939 346169910 /nfs/dbraw/zinc/16/99/10/346169910.db2.gz PIDNBBPJFFOGHK-VHSXEESVSA-N 0 3 238.400 3.186 20 0 BGADHN C[C@@H]1C[C@H]1CNCc1ncc(C(C)(C)C)s1 ZINC000381502940 346169878 /nfs/dbraw/zinc/16/98/78/346169878.db2.gz PIDNBBPJFFOGHK-ZJUUUORDSA-N 0 3 238.400 3.186 20 0 BGADHN Cc1ncccc1CN[C@H](C)c1ccc(F)cc1 ZINC000381503069 344513430 /nfs/dbraw/zinc/51/34/30/344513430.db2.gz HYZZTJPLTXEPQU-LLVKDONJSA-N 0 3 244.313 3.380 20 0 BGADHN CC[C@@H]1CC[C@@H]1N[C@@H](C)c1c(C)noc1C ZINC000381506143 539002778 /nfs/dbraw/zinc/00/27/78/539002778.db2.gz KSYLBQPODZGMFW-AXTRIDKLSA-N 0 3 222.332 3.131 20 0 BGADHN CC[C@@H]1CC[C@@H]1N[C@H](C)c1c(C)noc1C ZINC000381506145 539002772 /nfs/dbraw/zinc/00/27/72/539002772.db2.gz KSYLBQPODZGMFW-FXAINCCUSA-N 0 3 222.332 3.131 20 0 BGADHN CC[C@@H]1CC[C@H]1N[C@H](C)c1c(C)noc1C ZINC000381506225 539002895 /nfs/dbraw/zinc/00/28/95/539002895.db2.gz KSYLBQPODZGMFW-GGZOMVNGSA-N 0 3 222.332 3.131 20 0 BGADHN CC[C@@H]1CC[C@H]1N[C@@H](C)c1c(C)noc1C ZINC000381506226 539002830 /nfs/dbraw/zinc/00/28/30/539002830.db2.gz KSYLBQPODZGMFW-XXILOJSOSA-N 0 3 222.332 3.131 20 0 BGADHN CC(C)=CCCNCc1nc2c(s1)CCC2 ZINC000381512402 539002711 /nfs/dbraw/zinc/00/27/11/539002711.db2.gz RMZHXYVKBZHUKA-UHFFFAOYSA-N 0 3 236.384 3.078 20 0 BGADHN Cc1cc(CN[C@@H](C)[C@@H]2CC3CCC2CC3)no1 ZINC000381518928 367422723 /nfs/dbraw/zinc/42/27/23/367422723.db2.gz MGMZIQUKSSATSZ-CLTVBZQCSA-N 0 3 248.370 3.287 20 0 BGADHN Cc1cc(CN[C@@H](C)[C@H]2CC3CCC2CC3)no1 ZINC000381518930 367423257 /nfs/dbraw/zinc/42/32/57/367423257.db2.gz MGMZIQUKSSATSZ-LFUGVXIPSA-N 0 3 248.370 3.287 20 0 BGADHN Cc1cc(CN[C@H](C)[C@@H]2CC3CCC2CC3)no1 ZINC000381518931 367423624 /nfs/dbraw/zinc/42/36/24/367423624.db2.gz MGMZIQUKSSATSZ-LPXQKFACSA-N 0 3 248.370 3.287 20 0 BGADHN Cc1cc(CN[C@H](C)[C@H]2CC3CCC2CC3)no1 ZINC000381518935 367423327 /nfs/dbraw/zinc/42/33/27/367423327.db2.gz MGMZIQUKSSATSZ-XZNOPERXSA-N 0 3 248.370 3.287 20 0 BGADHN Cc1csc([C@@H](C)NC2CC(C(F)F)C2)n1 ZINC000381521208 710650586 /nfs/dbraw/zinc/65/05/86/710650586.db2.gz XQWDVEPGWMECNK-AFPNSQJFSA-N 0 3 246.326 3.146 20 0 BGADHN Cc1csc([C@H](C)NC2CC(C(F)F)C2)n1 ZINC000381521210 710650411 /nfs/dbraw/zinc/65/04/11/710650411.db2.gz XQWDVEPGWMECNK-UEJVZZJDSA-N 0 3 246.326 3.146 20 0 BGADHN CC(C)[C@@H](NC1CSC1)c1ccc(F)cc1 ZINC000381521515 539003480 /nfs/dbraw/zinc/00/34/80/539003480.db2.gz UWMJTKFWQUVXSR-CYBMUJFWSA-N 0 3 239.359 3.228 20 0 BGADHN CC(C)[C@H](NC1CSC1)c1ccc(F)cc1 ZINC000381521516 539003403 /nfs/dbraw/zinc/00/34/03/539003403.db2.gz UWMJTKFWQUVXSR-ZDUSSCGKSA-N 0 3 239.359 3.228 20 0 BGADHN C[C@@H](NCc1csc(C2CC2)n1)C1(C)CC1 ZINC000381521621 710650299 /nfs/dbraw/zinc/65/02/99/710650299.db2.gz UYRYIOWYYVJZDO-SECBINFHSA-N 0 3 236.384 3.299 20 0 BGADHN C[C@H](NCc1csc(C2CC2)n1)C1(C)CC1 ZINC000381521622 710650391 /nfs/dbraw/zinc/65/03/91/710650391.db2.gz UYRYIOWYYVJZDO-VIFPVBQESA-N 0 3 236.384 3.299 20 0 BGADHN CC1(C)CC[C@H]1NCc1cnc(C2CC2)s1 ZINC000381526314 367424564 /nfs/dbraw/zinc/42/45/64/367424564.db2.gz WVCWZJAYNMDJIB-LLVKDONJSA-N 0 3 236.384 3.299 20 0 BGADHN CC1(C)CC[C@@H]1NCc1cnc(C2CC2)s1 ZINC000381526315 367424331 /nfs/dbraw/zinc/42/43/31/367424331.db2.gz WVCWZJAYNMDJIB-NSHDSACASA-N 0 3 236.384 3.299 20 0 BGADHN CCCCC[C@H](C)NCc1nc(C#N)cs1 ZINC000381540222 710652742 /nfs/dbraw/zinc/65/27/42/710652742.db2.gz HKBLFULIYVPPSD-JTQLQIEISA-N 0 3 237.372 3.073 20 0 BGADHN CCCCC[C@@H](C)NCc1nc(C#N)cs1 ZINC000381540223 710652630 /nfs/dbraw/zinc/65/26/30/710652630.db2.gz HKBLFULIYVPPSD-SNVBAGLBSA-N 0 3 237.372 3.073 20 0 BGADHN CS[C@@H]1CCCC[C@H]1NCc1ccoc1C ZINC000381545202 344518112 /nfs/dbraw/zinc/51/81/12/344518112.db2.gz JXKSYPRIONHCPA-CHWSQXEVSA-N 0 3 239.384 3.352 20 0 BGADHN C[C@@H](NC[C@H]1CCCC1(F)F)c1ccco1 ZINC000381545332 346318620 /nfs/dbraw/zinc/31/86/20/346318620.db2.gz SRDZUVIJQFHKJX-NXEZZACHSA-N 0 3 229.270 3.366 20 0 BGADHN C[C@H](NC[C@@H]1CCCC1(F)F)c1ccco1 ZINC000381545333 346318629 /nfs/dbraw/zinc/31/86/29/346318629.db2.gz SRDZUVIJQFHKJX-UWVGGRQHSA-N 0 3 229.270 3.366 20 0 BGADHN C[C@H](NC[C@H]1CCCC1(F)F)c1ccco1 ZINC000381545334 346318865 /nfs/dbraw/zinc/31/88/65/346318865.db2.gz SRDZUVIJQFHKJX-VHSXEESVSA-N 0 3 229.270 3.366 20 0 BGADHN C[C@@H](NC[C@@H]1CCCC1(F)F)c1ccco1 ZINC000381545336 346318514 /nfs/dbraw/zinc/31/85/14/346318514.db2.gz SRDZUVIJQFHKJX-ZJUUUORDSA-N 0 3 229.270 3.366 20 0 BGADHN Cc1ccc([C@H](NC2CSC2)C2CC2)cc1 ZINC000381548680 539003574 /nfs/dbraw/zinc/00/35/74/539003574.db2.gz LOQNIEQOAZDCRS-AWEZNQCLSA-N 0 3 233.380 3.151 20 0 BGADHN Cc1ccc([C@@H](NC2CSC2)C2CC2)cc1 ZINC000381548682 539003680 /nfs/dbraw/zinc/00/36/80/539003680.db2.gz LOQNIEQOAZDCRS-CQSZACIVSA-N 0 3 233.380 3.151 20 0 BGADHN CSCc1ccc(CNCC2(F)CC2)cc1 ZINC000381550146 367428494 /nfs/dbraw/zinc/42/84/94/367428494.db2.gz MIUBVLGPBDNXQU-UHFFFAOYSA-N 0 3 239.359 3.141 20 0 BGADHN Cc1cnc(CN[C@H]2CC[C@@H]2C2CCC2)s1 ZINC000381554392 487512225 /nfs/dbraw/zinc/51/22/25/487512225.db2.gz OCDXWKXDDVIQAU-NEPJUHHUSA-N 0 3 236.384 3.120 20 0 BGADHN Cc1cnc(CN[C@@H]2CC[C@H]2C2CCC2)s1 ZINC000381554396 487512497 /nfs/dbraw/zinc/51/24/97/487512497.db2.gz OCDXWKXDDVIQAU-NWDGAFQWSA-N 0 3 236.384 3.120 20 0 BGADHN Cc1cnc(CN[C@H]2CC[C@H]2C2CCC2)s1 ZINC000381554398 487512445 /nfs/dbraw/zinc/51/24/45/487512445.db2.gz OCDXWKXDDVIQAU-RYUDHWBXSA-N 0 3 236.384 3.120 20 0 BGADHN Cc1cnc(CN[C@@H]2CC[C@@H]2C2CCC2)s1 ZINC000381554401 487512142 /nfs/dbraw/zinc/51/21/42/487512142.db2.gz OCDXWKXDDVIQAU-VXGBXAGGSA-N 0 3 236.384 3.120 20 0 BGADHN CSCCNC1(c2ccc(F)cc2)CCC1 ZINC000381554786 344519684 /nfs/dbraw/zinc/51/96/84/344519684.db2.gz OGLVFUIJESTZIX-UHFFFAOYSA-N 0 3 239.359 3.158 20 0 BGADHN CC[C@@H](NCc1cc(C)[nH]n1)c1cccs1 ZINC000381556937 344521635 /nfs/dbraw/zinc/52/16/35/344521635.db2.gz PMFQTZUALOTIPZ-LLVKDONJSA-N 0 3 235.356 3.021 20 0 BGADHN CC[C@@H](NCc1cc(C)n[nH]1)c1cccs1 ZINC000381556937 344521632 /nfs/dbraw/zinc/52/16/32/344521632.db2.gz PMFQTZUALOTIPZ-LLVKDONJSA-N 0 3 235.356 3.021 20 0 BGADHN CC[C@H](NCc1cc(C)[nH]n1)c1cccs1 ZINC000381556942 344521665 /nfs/dbraw/zinc/52/16/65/344521665.db2.gz PMFQTZUALOTIPZ-NSHDSACASA-N 0 3 235.356 3.021 20 0 BGADHN CC[C@H](NCc1cc(C)n[nH]1)c1cccs1 ZINC000381556942 344521662 /nfs/dbraw/zinc/52/16/62/344521662.db2.gz PMFQTZUALOTIPZ-NSHDSACASA-N 0 3 235.356 3.021 20 0 BGADHN CC[C@H](CN[C@H](C)c1ccccc1Cl)OC ZINC000381558990 346349444 /nfs/dbraw/zinc/34/94/44/346349444.db2.gz PRCVTCQLKHXPJI-GHMZBOCLSA-N 0 3 241.762 3.416 20 0 BGADHN CC[C@@H](CN[C@H](C)c1ccccc1Cl)OC ZINC000381558991 346349302 /nfs/dbraw/zinc/34/93/02/346349302.db2.gz PRCVTCQLKHXPJI-MNOVXSKESA-N 0 3 241.762 3.416 20 0 BGADHN CC[C@@H](CN[C@@H](C)c1ccccc1Cl)OC ZINC000381558992 346349219 /nfs/dbraw/zinc/34/92/19/346349219.db2.gz PRCVTCQLKHXPJI-QWRGUYRKSA-N 0 3 241.762 3.416 20 0 BGADHN CC[C@H](CN[C@@H](C)c1ccccc1Cl)OC ZINC000381558993 346349262 /nfs/dbraw/zinc/34/92/62/346349262.db2.gz PRCVTCQLKHXPJI-WDEREUQCSA-N 0 3 241.762 3.416 20 0 BGADHN FC1(CN[C@@H]2CC[C@@H]2c2ccccc2)CC1 ZINC000381559908 487512591 /nfs/dbraw/zinc/51/25/91/487512591.db2.gz QSUDRHIVKZNASA-CHWSQXEVSA-N 0 3 219.303 3.024 20 0 BGADHN CC[C@H](CNCc1ccc(C)cc1Cl)OC ZINC000381568318 346368200 /nfs/dbraw/zinc/36/82/00/346368200.db2.gz ULZGACXZQVIPNP-GFCCVEGCSA-N 0 3 241.762 3.163 20 0 BGADHN CC[C@@H](CNCc1ccc(C)cc1Cl)OC ZINC000381568320 346367829 /nfs/dbraw/zinc/36/78/29/346367829.db2.gz ULZGACXZQVIPNP-LBPRGKRZSA-N 0 3 241.762 3.163 20 0 BGADHN CCCCN[C@@H]1COCc2cccc(Cl)c21 ZINC000381571302 710656378 /nfs/dbraw/zinc/65/63/78/710656378.db2.gz XHRQZWWJIBJUSX-GFCCVEGCSA-N 0 3 239.746 3.301 20 0 BGADHN CCCCN[C@H]1COCc2cccc(Cl)c21 ZINC000381571311 710655951 /nfs/dbraw/zinc/65/59/51/710655951.db2.gz XHRQZWWJIBJUSX-LBPRGKRZSA-N 0 3 239.746 3.301 20 0 BGADHN CCCC(C)(C)NCc1nccn1C(C)C ZINC000381571537 385467678 /nfs/dbraw/zinc/46/76/78/385467678.db2.gz XLCWZUWTQGWNPZ-UHFFFAOYSA-N 0 3 223.364 3.132 20 0 BGADHN Cc1ccc2c(c1)[C@@H](NC1CSC1)CCC2 ZINC000381574228 539004186 /nfs/dbraw/zinc/00/41/86/539004186.db2.gz ZBWFETSOUWNSAI-AWEZNQCLSA-N 0 3 233.380 3.077 20 0 BGADHN CSc1ccc(CCNCC2(F)CC2)cc1 ZINC000381575747 344522182 /nfs/dbraw/zinc/52/21/82/344522182.db2.gz ZTXSGTLNJZCSQT-UHFFFAOYSA-N 0 3 239.359 3.043 20 0 BGADHN C/C=C\CN[C@@H](C)c1ccc(F)c(OC)c1 ZINC000381575889 539004147 /nfs/dbraw/zinc/00/41/47/539004147.db2.gz ZWKVPAXFQMPPLS-LWTINBJPSA-N 0 3 223.291 3.061 20 0 BGADHN C/C=C/CN[C@H](C)c1ccc(F)c(OC)c1 ZINC000381575893 538111198 /nfs/dbraw/zinc/11/11/98/538111198.db2.gz ZWKVPAXFQMPPLS-ORAHPGNNSA-N 0 3 223.291 3.061 20 0 BGADHN C/C=C\CN[C@H](C)c1ccc(F)c(OC)c1 ZINC000381575894 539004229 /nfs/dbraw/zinc/00/42/29/539004229.db2.gz ZWKVPAXFQMPPLS-UMCURTJPSA-N 0 3 223.291 3.061 20 0 BGADHN C/C=C/CN[C@@H](C)c1ccc(F)c(OC)c1 ZINC000381575895 539004181 /nfs/dbraw/zinc/00/41/81/539004181.db2.gz ZWKVPAXFQMPPLS-YEZKRMTDSA-N 0 3 223.291 3.061 20 0 BGADHN Cc1ccccc1[C@@H](NC1CSC1)C1CC1 ZINC000381587332 539004042 /nfs/dbraw/zinc/00/40/42/539004042.db2.gz IBQGBOCSWLLIKM-AWEZNQCLSA-N 0 3 233.380 3.151 20 0 BGADHN Cc1ccccc1[C@H](NC1CSC1)C1CC1 ZINC000381587334 539004301 /nfs/dbraw/zinc/00/43/01/539004301.db2.gz IBQGBOCSWLLIKM-CQSZACIVSA-N 0 3 233.380 3.151 20 0 BGADHN C[C@@H](NC[C@H]1CCCC1(F)F)c1ccccn1 ZINC000381590256 367435046 /nfs/dbraw/zinc/43/50/46/367435046.db2.gz DJECAFTXFGRFKO-GHMZBOCLSA-N 0 3 240.297 3.168 20 0 BGADHN C[C@@H](NC[C@@H]1CCCC1(F)F)c1ccccn1 ZINC000381590262 367435025 /nfs/dbraw/zinc/43/50/25/367435025.db2.gz DJECAFTXFGRFKO-MNOVXSKESA-N 0 3 240.297 3.168 20 0 BGADHN C[C@H](NC[C@@H]1CCCC1(F)F)c1ccccn1 ZINC000381590264 367433935 /nfs/dbraw/zinc/43/39/35/367433935.db2.gz DJECAFTXFGRFKO-QWRGUYRKSA-N 0 3 240.297 3.168 20 0 BGADHN C[C@H](NC[C@H]1CCCC1(F)F)c1ccccn1 ZINC000381590266 346393225 /nfs/dbraw/zinc/39/32/25/346393225.db2.gz DJECAFTXFGRFKO-WDEREUQCSA-N 0 3 240.297 3.168 20 0 BGADHN C[C@H](NC[C@H]1CCCC1(F)F)c1ccncc1 ZINC000381590267 346393202 /nfs/dbraw/zinc/39/32/02/346393202.db2.gz DJGYKMZCUMQFRJ-CMPLNLGQSA-N 0 3 240.297 3.168 20 0 BGADHN C[C@H](NC[C@@H]1CCCC1(F)F)c1ccncc1 ZINC000381590268 346393366 /nfs/dbraw/zinc/39/33/66/346393366.db2.gz DJGYKMZCUMQFRJ-JQWIXIFHSA-N 0 3 240.297 3.168 20 0 BGADHN C[C@@H](NC[C@@H]1CCCC1(F)F)c1ccncc1 ZINC000381590270 346393335 /nfs/dbraw/zinc/39/33/35/346393335.db2.gz DJGYKMZCUMQFRJ-PWSUYJOCSA-N 0 3 240.297 3.168 20 0 BGADHN C[C@@H](NC[C@H]1CCCC1(F)F)c1ccncc1 ZINC000381590271 346393432 /nfs/dbraw/zinc/39/34/32/346393432.db2.gz DJGYKMZCUMQFRJ-ZYHUDNBSSA-N 0 3 240.297 3.168 20 0 BGADHN Cc1ccc([C@@H](C)N[C@@H]2CCC(F)(F)C2)o1 ZINC000381594567 539004581 /nfs/dbraw/zinc/00/45/81/539004581.db2.gz FCGBYBUCYOJXQG-NXEZZACHSA-N 0 3 229.270 3.426 20 0 BGADHN Cc1ccc([C@H](C)N[C@H]2CCC(F)(F)C2)o1 ZINC000381594574 539004480 /nfs/dbraw/zinc/00/44/80/539004480.db2.gz FCGBYBUCYOJXQG-UWVGGRQHSA-N 0 3 229.270 3.426 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H]2CCC(F)(F)C2)o1 ZINC000381594575 539004573 /nfs/dbraw/zinc/00/45/73/539004573.db2.gz FCGBYBUCYOJXQG-VHSXEESVSA-N 0 3 229.270 3.426 20 0 BGADHN Cc1ccc([C@@H](C)N[C@H]2CCC(F)(F)C2)o1 ZINC000381594577 539004932 /nfs/dbraw/zinc/00/49/32/539004932.db2.gz FCGBYBUCYOJXQG-ZJUUUORDSA-N 0 3 229.270 3.426 20 0 BGADHN Fc1cccc(CNC[C@H]2CCCC2(F)F)c1 ZINC000381598895 367434733 /nfs/dbraw/zinc/43/47/33/367434733.db2.gz FYTVBLJCZOTGED-LLVKDONJSA-N 0 3 243.272 3.351 20 0 BGADHN Fc1cccc(CNC[C@@H]2CCCC2(F)F)c1 ZINC000381598897 367435930 /nfs/dbraw/zinc/43/59/30/367435930.db2.gz FYTVBLJCZOTGED-NSHDSACASA-N 0 3 243.272 3.351 20 0 BGADHN CCC[C@H]1CCCC[C@@H]1NCc1ccon1 ZINC000381602654 346409629 /nfs/dbraw/zinc/40/96/29/346409629.db2.gz OOLDJEKNSOUDCR-AAEUAGOBSA-N 0 3 222.332 3.123 20 0 BGADHN CCC[C@@H]1CCCC[C@H]1NCc1ccon1 ZINC000381602656 367436145 /nfs/dbraw/zinc/43/61/45/367436145.db2.gz OOLDJEKNSOUDCR-DGCLKSJQSA-N 0 3 222.332 3.123 20 0 BGADHN CCC[C@H]1CCCC[C@H]1NCc1ccon1 ZINC000381602658 367435778 /nfs/dbraw/zinc/43/57/78/367435778.db2.gz OOLDJEKNSOUDCR-WCQYABFASA-N 0 3 222.332 3.123 20 0 BGADHN CCC[C@@H]1CCCC[C@@H]1NCc1ccon1 ZINC000381602659 367436400 /nfs/dbraw/zinc/43/64/00/367436400.db2.gz OOLDJEKNSOUDCR-YPMHNXCESA-N 0 3 222.332 3.123 20 0 BGADHN CCCC[C@H](C)[C@@H](C)NCc1cc(C)on1 ZINC000381611421 346429167 /nfs/dbraw/zinc/42/91/67/346429167.db2.gz SKMLXQXKUNYPOB-CMPLNLGQSA-N 0 3 224.348 3.287 20 0 BGADHN CCCC[C@H](C)[C@H](C)NCc1cc(C)on1 ZINC000381611422 346428847 /nfs/dbraw/zinc/42/88/47/346428847.db2.gz SKMLXQXKUNYPOB-JQWIXIFHSA-N 0 3 224.348 3.287 20 0 BGADHN CCCC[C@@H](C)[C@H](C)NCc1cc(C)on1 ZINC000381611423 346428757 /nfs/dbraw/zinc/42/87/57/346428757.db2.gz SKMLXQXKUNYPOB-PWSUYJOCSA-N 0 3 224.348 3.287 20 0 BGADHN CCCC[C@@H](C)[C@@H](C)NCc1cc(C)on1 ZINC000381611424 346428900 /nfs/dbraw/zinc/42/89/00/346428900.db2.gz SKMLXQXKUNYPOB-ZYHUDNBSSA-N 0 3 224.348 3.287 20 0 BGADHN Cc1ccc([C@H](NCCCF)C2CCC2)o1 ZINC000381613288 346432208 /nfs/dbraw/zinc/43/22/08/346432208.db2.gz TYTIBLGJTHKNNR-CYBMUJFWSA-N 0 3 225.307 3.378 20 0 BGADHN Cc1ccc([C@@H](NCCCF)C2CCC2)o1 ZINC000381613289 346432173 /nfs/dbraw/zinc/43/21/73/346432173.db2.gz TYTIBLGJTHKNNR-ZDUSSCGKSA-N 0 3 225.307 3.378 20 0 BGADHN Cc1ccc(F)c(CNC2(C3CC3)CC2)c1 ZINC000381616949 367439426 /nfs/dbraw/zinc/43/94/26/367439426.db2.gz VXAABUOOEBYACO-UHFFFAOYSA-N 0 3 219.303 3.166 20 0 BGADHN CSCc1cccc(CNCC2(F)CC2)c1 ZINC000381617903 367439253 /nfs/dbraw/zinc/43/92/53/367439253.db2.gz WMPLTGZECQSVJV-UHFFFAOYSA-N 0 3 239.359 3.141 20 0 BGADHN CCC[C@H](N[C@H]1C[C@@H]1OCC)c1ccsc1 ZINC000381617928 367439093 /nfs/dbraw/zinc/43/90/93/367439093.db2.gz WNKJCXPTCLZYLV-AVGNSLFASA-N 0 3 239.384 3.356 20 0 BGADHN CCC[C@H](N[C@H]1C[C@H]1OCC)c1ccsc1 ZINC000381617929 367439045 /nfs/dbraw/zinc/43/90/45/367439045.db2.gz WNKJCXPTCLZYLV-RWMBFGLXSA-N 0 3 239.384 3.356 20 0 BGADHN CCC[C@H](N[C@@H]1C[C@@H]1OCC)c1ccsc1 ZINC000381617932 346443510 /nfs/dbraw/zinc/44/35/10/346443510.db2.gz WNKJCXPTCLZYLV-XQQFMLRXSA-N 0 3 239.384 3.356 20 0 BGADHN CCC[C@H](N[C@@H]1C[C@H]1OCC)c1ccsc1 ZINC000381617934 346443488 /nfs/dbraw/zinc/44/34/88/346443488.db2.gz WNKJCXPTCLZYLV-YNEHKIRRSA-N 0 3 239.384 3.356 20 0 BGADHN Cc1nc(CN[C@@H]2CCC[C@H]3C[C@]32C)cs1 ZINC000381620564 487517248 /nfs/dbraw/zinc/51/72/48/487517248.db2.gz YYYKUDUTHJWNPR-CYZMBNFOSA-N 0 3 236.384 3.120 20 0 BGADHN Cc1nc(CN[C@@H]2CCC[C@@H]3C[C@@]32C)cs1 ZINC000381620566 487517594 /nfs/dbraw/zinc/51/75/94/487517594.db2.gz YYYKUDUTHJWNPR-RTXFEEFZSA-N 0 3 236.384 3.120 20 0 BGADHN FC1(CCNCc2cccnc2Cl)CCC1 ZINC000381621584 710662896 /nfs/dbraw/zinc/66/28/96/710662896.db2.gz CAZQTPKMAJMMEA-UHFFFAOYSA-N 0 3 242.725 3.107 20 0 BGADHN COc1ncc(CNC(C)(C)C(C)(C)C)s1 ZINC000381623344 398267331 /nfs/dbraw/zinc/26/73/31/398267331.db2.gz JPFGHLGWWPSKGN-UHFFFAOYSA-N 0 3 242.388 3.066 20 0 BGADHN FC1(F)CCC[C@@H](CNCc2nccs2)C1 ZINC000381625311 487517524 /nfs/dbraw/zinc/51/75/24/487517524.db2.gz JGSMYQYLIFNLPC-SECBINFHSA-N 0 3 246.326 3.058 20 0 BGADHN FC1(F)CCC[C@H](CNCc2nccs2)C1 ZINC000381625312 487517146 /nfs/dbraw/zinc/51/71/46/487517146.db2.gz JGSMYQYLIFNLPC-VIFPVBQESA-N 0 3 246.326 3.058 20 0 BGADHN FC1(CNCc2cc3c(s2)CCCC3)CC1 ZINC000381627125 367440016 /nfs/dbraw/zinc/44/00/16/367440016.db2.gz LXNUCAHTVXTUBE-UHFFFAOYSA-N 0 3 239.359 3.219 20 0 BGADHN CO[C@H](C)CCNCc1ccc(C)cc1Cl ZINC000381632682 367441576 /nfs/dbraw/zinc/44/15/76/367441576.db2.gz RWQOSFBXUQBFNE-LLVKDONJSA-N 0 3 241.762 3.163 20 0 BGADHN CO[C@@H](C)CCNCc1ccc(C)cc1Cl ZINC000381632683 367441327 /nfs/dbraw/zinc/44/13/27/367441327.db2.gz RWQOSFBXUQBFNE-NSHDSACASA-N 0 3 241.762 3.163 20 0 BGADHN FC1(CN[C@H]2C[C@H](c3ccccc3)C2)CC1 ZINC000381638275 367442236 /nfs/dbraw/zinc/44/22/36/367442236.db2.gz YAKZSQWUOVKDCJ-JOCQHMNTSA-N 0 3 219.303 3.024 20 0 BGADHN Fc1ccccc1CNC[C@H]1CCCC1(F)F ZINC000381668309 367445811 /nfs/dbraw/zinc/44/58/11/367445811.db2.gz KSYZUTNVVWLHFO-LLVKDONJSA-N 0 3 243.272 3.351 20 0 BGADHN Fc1ccccc1CNC[C@@H]1CCCC1(F)F ZINC000381668310 367445694 /nfs/dbraw/zinc/44/56/94/367445694.db2.gz KSYZUTNVVWLHFO-NSHDSACASA-N 0 3 243.272 3.351 20 0 BGADHN C[C@H](NC[C@H]1CCCC1(F)F)c1cccnc1 ZINC000381697650 367448956 /nfs/dbraw/zinc/44/89/56/367448956.db2.gz OJUOCRUKLBQFPR-CMPLNLGQSA-N 0 3 240.297 3.168 20 0 BGADHN C[C@H](NC[C@@H]1CCCC1(F)F)c1cccnc1 ZINC000381697651 367448910 /nfs/dbraw/zinc/44/89/10/367448910.db2.gz OJUOCRUKLBQFPR-JQWIXIFHSA-N 0 3 240.297 3.168 20 0 BGADHN C[C@@H](NC[C@@H]1CCCC1(F)F)c1cccnc1 ZINC000381697652 367449355 /nfs/dbraw/zinc/44/93/55/367449355.db2.gz OJUOCRUKLBQFPR-PWSUYJOCSA-N 0 3 240.297 3.168 20 0 BGADHN C[C@@H](NC[C@H]1CCCC1(F)F)c1cccnc1 ZINC000381697654 367449327 /nfs/dbraw/zinc/44/93/27/367449327.db2.gz OJUOCRUKLBQFPR-ZYHUDNBSSA-N 0 3 240.297 3.168 20 0 BGADHN CCO[C@@H]1C[C@@H]1N[C@H](C)c1ccc(Cl)cc1 ZINC000381700358 367449017 /nfs/dbraw/zinc/44/90/17/367449017.db2.gz IHSCAWMGAZBIHA-JIMOISOXSA-N 0 3 239.746 3.168 20 0 BGADHN CCO[C@@H]1C[C@H]1N[C@H](C)c1ccc(Cl)cc1 ZINC000381700359 346710140 /nfs/dbraw/zinc/71/01/40/346710140.db2.gz IHSCAWMGAZBIHA-OASPWFOLSA-N 0 3 239.746 3.168 20 0 BGADHN CCO[C@@H]1C[C@@H]1N[C@@H](C)c1ccc(Cl)cc1 ZINC000381700360 346710312 /nfs/dbraw/zinc/71/03/12/346710312.db2.gz IHSCAWMGAZBIHA-TVYUQYBPSA-N 0 3 239.746 3.168 20 0 BGADHN CCO[C@@H]1C[C@H]1N[C@@H](C)c1ccc(Cl)cc1 ZINC000381700361 346710238 /nfs/dbraw/zinc/71/02/38/346710238.db2.gz IHSCAWMGAZBIHA-ZWKOPEQDSA-N 0 3 239.746 3.168 20 0 BGADHN Cc1ccnc([C@@H](C)NCCCC2CC2)c1 ZINC000381702000 367449258 /nfs/dbraw/zinc/44/92/58/367449258.db2.gz IOBMYBWKPDNISG-GFCCVEGCSA-N 0 3 218.344 3.231 20 0 BGADHN Cc1ccnc([C@H](C)NCCCC2CC2)c1 ZINC000381702001 346713392 /nfs/dbraw/zinc/71/33/92/346713392.db2.gz IOBMYBWKPDNISG-LBPRGKRZSA-N 0 3 218.344 3.231 20 0 BGADHN CC1(C)CC(NCc2c(F)cccc2F)C1 ZINC000381705694 346720155 /nfs/dbraw/zinc/72/01/55/346720155.db2.gz JDONBSMINUNRLA-UHFFFAOYSA-N 0 3 225.282 3.243 20 0 BGADHN CCO[C@@H]1C[C@@H]1N[C@H](C)c1cccc(Cl)c1 ZINC000381724920 367451821 /nfs/dbraw/zinc/45/18/21/367451821.db2.gz MLSZVZAMAIFEGP-JIMOISOXSA-N 0 3 239.746 3.168 20 0 BGADHN CCO[C@@H]1C[C@H]1N[C@H](C)c1cccc(Cl)c1 ZINC000381724952 367451236 /nfs/dbraw/zinc/45/12/36/367451236.db2.gz MLSZVZAMAIFEGP-OASPWFOLSA-N 0 3 239.746 3.168 20 0 BGADHN CCO[C@@H]1C[C@@H]1N[C@@H](C)c1cccc(Cl)c1 ZINC000381724961 367451847 /nfs/dbraw/zinc/45/18/47/367451847.db2.gz MLSZVZAMAIFEGP-TVYUQYBPSA-N 0 3 239.746 3.168 20 0 BGADHN CCO[C@@H]1C[C@H]1N[C@@H](C)c1cccc(Cl)c1 ZINC000381724968 367451220 /nfs/dbraw/zinc/45/12/20/367451220.db2.gz MLSZVZAMAIFEGP-ZWKOPEQDSA-N 0 3 239.746 3.168 20 0 BGADHN C/C=C\CN[C@H](COC)c1cccc(Cl)c1 ZINC000381725357 539006337 /nfs/dbraw/zinc/00/63/37/539006337.db2.gz MNFZOXQGDBFDKM-DHCBQETCSA-N 0 3 239.746 3.193 20 0 BGADHN C/C=C/CN[C@H](COC)c1cccc(Cl)c1 ZINC000381725359 539006424 /nfs/dbraw/zinc/00/64/24/539006424.db2.gz MNFZOXQGDBFDKM-ITDFMYJTSA-N 0 3 239.746 3.193 20 0 BGADHN C/C=C/CN[C@@H](COC)c1cccc(Cl)c1 ZINC000381725360 539006663 /nfs/dbraw/zinc/00/66/63/539006663.db2.gz MNFZOXQGDBFDKM-OOPCZODUSA-N 0 3 239.746 3.193 20 0 BGADHN C/C=C\CN[C@@H](COC)c1cccc(Cl)c1 ZINC000381725366 539006508 /nfs/dbraw/zinc/00/65/08/539006508.db2.gz MNFZOXQGDBFDKM-SCOBNMCVSA-N 0 3 239.746 3.193 20 0 BGADHN CCC(C)(CC)NCc1nccn1C(C)C ZINC000381732423 539006546 /nfs/dbraw/zinc/00/65/46/539006546.db2.gz NRCFWJGAGQIJKL-UHFFFAOYSA-N 0 3 223.364 3.132 20 0 BGADHN CCc1ccc([C@H](C)NC2(C3CC3)CC2)o1 ZINC000381744619 367453118 /nfs/dbraw/zinc/45/31/18/367453118.db2.gz PTYGTNWLFVSEKO-JTQLQIEISA-N 0 3 219.328 3.435 20 0 BGADHN CCc1ccc([C@@H](C)NC2(C3CC3)CC2)o1 ZINC000381744621 367452917 /nfs/dbraw/zinc/45/29/17/367452917.db2.gz PTYGTNWLFVSEKO-SNVBAGLBSA-N 0 3 219.328 3.435 20 0 BGADHN C[C@@H]1CCC[C@@H](CNCc2ccco2)[C@H]1C ZINC000381775329 367456058 /nfs/dbraw/zinc/45/60/58/367456058.db2.gz WVKWFUQISZELAD-AGIUHOORSA-N 0 3 221.344 3.442 20 0 BGADHN C[C@@H]1CCC[C@H](CNCc2ccco2)[C@H]1C ZINC000381775336 367456869 /nfs/dbraw/zinc/45/68/69/367456869.db2.gz WVKWFUQISZELAD-FRRDWIJNSA-N 0 3 221.344 3.442 20 0 BGADHN C[C@@H]1CCC[C@H](CNCc2ccco2)[C@@H]1C ZINC000381775338 367456357 /nfs/dbraw/zinc/45/63/57/367456357.db2.gz WVKWFUQISZELAD-JHJVBQTASA-N 0 3 221.344 3.442 20 0 BGADHN C[C@@H]1CCC[C@@H](CNCc2ccco2)[C@@H]1C ZINC000381775339 367456969 /nfs/dbraw/zinc/45/69/69/367456969.db2.gz WVKWFUQISZELAD-UPJWGTAASA-N 0 3 221.344 3.442 20 0 BGADHN Fc1cccc(Cl)c1CN[C@H]1[C@@H]2CCC[C@@H]21 ZINC000381829264 367460731 /nfs/dbraw/zinc/46/07/31/367460731.db2.gz NEOWCELRQSOVIV-WOFXILAISA-N 0 3 239.721 3.367 20 0 BGADHN C/C=C\CNCc1ccc(Cl)s1 ZINC000381835727 388438338 /nfs/dbraw/zinc/43/83/38/388438338.db2.gz GUVNYTKOKKEBLM-IHWYPQMZSA-N 0 3 201.722 3.067 20 0 BGADHN Fc1cc(Cl)cc(CN[C@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000381836224 367462077 /nfs/dbraw/zinc/46/20/77/367462077.db2.gz OVRMWUUSYKBTJH-ITGUQSILSA-N 0 3 239.721 3.367 20 0 BGADHN CCCC[C@H](COC)N[C@@H]1CCCC[C@H]1F ZINC000381969068 346983221 /nfs/dbraw/zinc/98/32/21/346983221.db2.gz BGZHREGWEAIIKC-JHJVBQTASA-N 0 3 231.355 3.062 20 0 BGADHN CCCC[C@@H](COC)N[C@@H]1CCCC[C@H]1F ZINC000381969070 367475754 /nfs/dbraw/zinc/47/57/54/367475754.db2.gz BGZHREGWEAIIKC-YNEHKIRRSA-N 0 3 231.355 3.062 20 0 BGADHN CC[C@@H](N[C@@H]1C[C@H]1C)c1ccc(F)cc1F ZINC000381973233 539008190 /nfs/dbraw/zinc/00/81/90/539008190.db2.gz CPYSCVYENXWXDK-BZHVJNSISA-N 0 3 225.282 3.414 20 0 BGADHN CC(C)C1(NCc2cnc(C3CC3)s2)CC1 ZINC000382004263 347063614 /nfs/dbraw/zinc/06/36/14/347063614.db2.gz ALRGWXNHCYKUOF-UHFFFAOYSA-N 0 3 236.384 3.299 20 0 BGADHN Cc1nocc1CNCC(C(C)C)C(C)C ZINC000382006631 347064066 /nfs/dbraw/zinc/06/40/66/347064066.db2.gz BHJDHMKTMJPEOJ-UHFFFAOYSA-N 0 3 224.348 3.001 20 0 BGADHN C[C@@H](N[C@H]1CCC[C@H]1F)c1cccc(F)c1 ZINC000382007818 367478676 /nfs/dbraw/zinc/47/86/76/367478676.db2.gz BSHMEVANIRFPTQ-WQAKAFBOSA-N 0 3 225.282 3.367 20 0 BGADHN CCCCC[C@H](C)NCc1cnn(C)c1Cl ZINC000382048220 710768018 /nfs/dbraw/zinc/76/80/18/710768018.db2.gz COOVZSVMSAIPTN-JTQLQIEISA-N 0 3 243.782 3.132 20 0 BGADHN CCCCC[C@@H](C)NCc1cnn(C)c1Cl ZINC000382048221 710767726 /nfs/dbraw/zinc/76/77/26/710767726.db2.gz COOVZSVMSAIPTN-SNVBAGLBSA-N 0 3 243.782 3.132 20 0 BGADHN Cc1ccc(CN[C@H]2CCC[C@H]2F)c(C)c1 ZINC000382048892 367482150 /nfs/dbraw/zinc/48/21/50/367482150.db2.gz CXTXYVMZQASFAO-KGLIPLIRSA-N 0 3 221.319 3.284 20 0 BGADHN Cc1ncc([C@@H](C)NC2(C(C)C)CC2)s1 ZINC000382053762 398303205 /nfs/dbraw/zinc/30/32/05/398303205.db2.gz BACIOAWQTNFXBP-SECBINFHSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1ncc([C@H](C)NC2(C(C)C)CC2)s1 ZINC000382053780 398302774 /nfs/dbraw/zinc/30/27/74/398302774.db2.gz BACIOAWQTNFXBP-VIFPVBQESA-N 0 3 224.373 3.291 20 0 BGADHN Cc1ccc(CN[C@@H]2CCCC[C@H]2F)s1 ZINC000382067700 367483127 /nfs/dbraw/zinc/48/31/27/367483127.db2.gz DZRPMUIVNIQERI-VXGBXAGGSA-N 0 3 227.348 3.427 20 0 BGADHN Cc1ccc(CN[C@@H]2CCCC[C@H]2F)cc1 ZINC000382085945 367483966 /nfs/dbraw/zinc/48/39/66/367483966.db2.gz JVHULFSIRKNBBT-ZIAGYGMSSA-N 0 3 221.319 3.365 20 0 BGADHN F[C@H]1CCC[C@H]1NC/C=C\c1ccccc1 ZINC000382089371 367483845 /nfs/dbraw/zinc/48/38/45/367483845.db2.gz KVLXCJPMDQMCTQ-UIKBEFBESA-N 0 3 219.303 3.180 20 0 BGADHN F[C@H]1CCC[C@H]1NC/C=C/c1ccccc1 ZINC000382089372 367483623 /nfs/dbraw/zinc/48/36/23/367483623.db2.gz KVLXCJPMDQMCTQ-VTDTZARESA-N 0 3 219.303 3.180 20 0 BGADHN CCOC[C@H](C)N[C@H](CC)c1ccsc1 ZINC000382092282 367483980 /nfs/dbraw/zinc/48/39/80/367483980.db2.gz HNLRPBGERMRBDR-CMPLNLGQSA-N 0 3 227.373 3.214 20 0 BGADHN CCOC[C@H](C)N[C@@H](CC)c1ccsc1 ZINC000382092284 367484130 /nfs/dbraw/zinc/48/41/30/367484130.db2.gz HNLRPBGERMRBDR-JQWIXIFHSA-N 0 3 227.373 3.214 20 0 BGADHN Cc1cc(CN[C@@H]2CCC[C@@H]2F)c(C)s1 ZINC000382096019 367485660 /nfs/dbraw/zinc/48/56/60/367485660.db2.gz DSAHTNAUAAUISQ-NWDGAFQWSA-N 0 3 227.348 3.345 20 0 BGADHN Cc1ccsc1CN[C@@H]1CCCC[C@H]1F ZINC000382098588 347165470 /nfs/dbraw/zinc/16/54/70/347165470.db2.gz FQTGGSNZEPRJBP-GHMZBOCLSA-N 0 3 227.348 3.427 20 0 BGADHN CCC(CC)NCc1c(F)cc(F)cc1F ZINC000382099263 710776381 /nfs/dbraw/zinc/77/63/81/710776381.db2.gz GARQQAQFVLDFEX-UHFFFAOYSA-N 0 3 231.261 3.382 20 0 BGADHN Clc1cccc(CN2CC[C@@H]3CCC[C@@H]32)n1 ZINC000382100157 710776811 /nfs/dbraw/zinc/77/68/11/710776811.db2.gz GIELRPXNJCRMLS-JQWIXIFHSA-N 0 3 236.746 3.109 20 0 BGADHN Cc1sccc1CN[C@H](C)c1ccc[nH]1 ZINC000382104513 710776992 /nfs/dbraw/zinc/77/69/92/710776992.db2.gz HWEMDGGSNIDQQJ-SECBINFHSA-N 0 3 220.341 3.235 20 0 BGADHN Cc1sccc1CN[C@@H](C)c1ccc[nH]1 ZINC000382104514 710776529 /nfs/dbraw/zinc/77/65/29/710776529.db2.gz HWEMDGGSNIDQQJ-VIFPVBQESA-N 0 3 220.341 3.235 20 0 BGADHN CCc1nocc1CNCCCC(C)(C)C ZINC000382106487 367485424 /nfs/dbraw/zinc/48/54/24/367485424.db2.gz IPGJNSVHRIIKRY-UHFFFAOYSA-N 0 3 224.348 3.153 20 0 BGADHN CSCCNCc1cc(C)cc(Cl)c1 ZINC000382110082 347331939 /nfs/dbraw/zinc/33/19/39/347331939.db2.gz KAUJGVRQVROJDO-UHFFFAOYSA-N 0 3 229.776 3.101 20 0 BGADHN Cc1ccsc1[C@H](C)N[C@H]1C[C@@H]1C(F)F ZINC000382110530 347185602 /nfs/dbraw/zinc/18/56/02/347185602.db2.gz KBGUEWIYSRLOSZ-CIUDSAMLSA-N 0 3 231.311 3.361 20 0 BGADHN Cc1ccsc1[C@@H](C)N[C@H]1C[C@@H]1C(F)F ZINC000382110539 367487502 /nfs/dbraw/zinc/48/75/02/367487502.db2.gz KBGUEWIYSRLOSZ-VGMNWLOBSA-N 0 3 231.311 3.361 20 0 BGADHN Cc1ccc(CN[C@@H]2CCC[C@@H]2F)cc1C ZINC000382142816 347199592 /nfs/dbraw/zinc/19/95/92/347199592.db2.gz NARSVAPJSCNGAZ-UONOGXRCSA-N 0 3 221.319 3.284 20 0 BGADHN Cc1nc(C)c([C@@H](C)N[C@H]2C[C@@H]2C(F)F)s1 ZINC000382145653 367490640 /nfs/dbraw/zinc/49/06/40/367490640.db2.gz NUOMKRIWRAZVIV-YEPSODPASA-N 0 3 246.326 3.064 20 0 BGADHN CCc1nc(C)c(CN[C@H]2CC3CCC2CC3)o1 ZINC000382159459 367491701 /nfs/dbraw/zinc/49/17/01/367491701.db2.gz SSJWDFKSUHFKMA-BPCQOVAHSA-N 0 3 248.370 3.214 20 0 BGADHN CCc1nc(C)c(CN[C@@H]2CC3CCC2CC3)o1 ZINC000382159460 367491663 /nfs/dbraw/zinc/49/16/63/367491663.db2.gz SSJWDFKSUHFKMA-WXRRBKDZSA-N 0 3 248.370 3.214 20 0 BGADHN Cc1nc([C@H](C)NC[C@@H]2C[C@H]2C2CC2)cs1 ZINC000382184693 367494434 /nfs/dbraw/zinc/49/44/34/367494434.db2.gz ARZUUPPIEIWQTP-UWJYBYFXSA-N 0 3 236.384 3.148 20 0 BGADHN Cc1nc([C@@H](C)NC[C@@H]2C[C@H]2C2CC2)cs1 ZINC000382184694 367495415 /nfs/dbraw/zinc/49/54/15/367495415.db2.gz ARZUUPPIEIWQTP-ZHAHWJHGSA-N 0 3 236.384 3.148 20 0 BGADHN Fc1ccc(CN[C@@H]2CCCC[C@H]2F)cc1 ZINC000382201068 347228981 /nfs/dbraw/zinc/22/89/81/347228981.db2.gz FDQXBQYDLPRKIY-CHWSQXEVSA-N 0 3 225.282 3.196 20 0 BGADHN C[C@@H](N[C@H]1C[C@@H]1C(F)F)c1cccc(F)c1 ZINC000382279864 367503188 /nfs/dbraw/zinc/50/31/88/367503188.db2.gz ISHAFWSCEVYMKH-GGVZMXCHSA-N 0 3 229.245 3.130 20 0 BGADHN CC(F)(F)CNC(C1CCC1)C1CCC1 ZINC000382286699 367504160 /nfs/dbraw/zinc/50/41/60/367504160.db2.gz KCJPGEFVGAOIII-UHFFFAOYSA-N 0 3 217.303 3.200 20 0 BGADHN CC[C@@H](N[C@H]1C[C@@H]1C(F)F)c1ccccc1 ZINC000382298728 367505447 /nfs/dbraw/zinc/50/54/47/367505447.db2.gz MUNYYGRDSYAEFH-TUAOUCFPSA-N 0 3 225.282 3.381 20 0 BGADHN CCC[C@@H](C)NCc1ncc(CSC)s1 ZINC000382316858 350035132 /nfs/dbraw/zinc/03/51/32/350035132.db2.gz RTUNILJWCDKFJC-SECBINFHSA-N 0 3 244.429 3.284 20 0 BGADHN CCC[C@H](C)NCc1ncc(CSC)s1 ZINC000382316872 350035163 /nfs/dbraw/zinc/03/51/63/350035163.db2.gz RTUNILJWCDKFJC-VIFPVBQESA-N 0 3 244.429 3.284 20 0 BGADHN Fc1cccc(CN[C@@H]2CCCC[C@H]2F)c1 ZINC000382324071 347277911 /nfs/dbraw/zinc/27/79/11/347277911.db2.gz UPFMJVWPQYRMLB-CHWSQXEVSA-N 0 3 225.282 3.196 20 0 BGADHN Cc1nc([C@H](C)N[C@H]2CCC[C@H]3C[C@H]32)cs1 ZINC000382333962 487539075 /nfs/dbraw/zinc/53/90/75/487539075.db2.gz XJOLRBINUVUOOJ-IXLVHKGHSA-N 0 3 236.384 3.291 20 0 BGADHN Cc1nc([C@@H](C)N[C@H]2CCC[C@H]3C[C@H]32)cs1 ZINC000382333964 487538952 /nfs/dbraw/zinc/53/89/52/487538952.db2.gz XJOLRBINUVUOOJ-KLHWPWHYSA-N 0 3 236.384 3.291 20 0 BGADHN Cc1nc([C@H](C)N[C@@H]2CCC[C@H]3C[C@H]32)cs1 ZINC000382333966 397936282 /nfs/dbraw/zinc/93/62/82/397936282.db2.gz XJOLRBINUVUOOJ-OHBODLIOSA-N 0 3 236.384 3.291 20 0 BGADHN Cc1nc([C@@H](C)N[C@@H]2CCC[C@H]3C[C@H]32)cs1 ZINC000382333967 487539083 /nfs/dbraw/zinc/53/90/83/487539083.db2.gz XJOLRBINUVUOOJ-SASUGWTJSA-N 0 3 236.384 3.291 20 0 BGADHN C[C@H](Cc1ccsc1)N[C@H]1CCC[C@H]1F ZINC000382373155 367512369 /nfs/dbraw/zinc/51/23/69/367512369.db2.gz HBWZXXUXBWHGSU-JLLWLGSASA-N 0 3 227.348 3.159 20 0 BGADHN C[C@@H](Cc1ccsc1)N[C@H]1CCC[C@H]1F ZINC000382373156 367512126 /nfs/dbraw/zinc/51/21/26/367512126.db2.gz HBWZXXUXBWHGSU-WCQGTBRESA-N 0 3 227.348 3.159 20 0 BGADHN F[C@H]1CCC[C@H]1N[C@@H]1CCc2ccccc21 ZINC000382380478 367513488 /nfs/dbraw/zinc/51/34/88/367513488.db2.gz JGDRCFYZHLIVKV-BFHYXJOUSA-N 0 3 219.303 3.154 20 0 BGADHN F[C@H]1CCC[C@H]1N[C@H]1CCc2ccccc21 ZINC000382380479 367513688 /nfs/dbraw/zinc/51/36/88/367513688.db2.gz JGDRCFYZHLIVKV-MELADBBJSA-N 0 3 219.303 3.154 20 0 BGADHN Cc1sccc1CN[C@@H]1CCCC[C@H]1F ZINC000382384159 367513609 /nfs/dbraw/zinc/51/36/09/367513609.db2.gz KJVCLORHQTYODO-VXGBXAGGSA-N 0 3 227.348 3.427 20 0 BGADHN CCC[C@H](CNCc1cc(C)sc1C)OC ZINC000382398179 367515059 /nfs/dbraw/zinc/51/50/59/367515059.db2.gz OVNJGTRHRNJGGZ-CYBMUJFWSA-N 0 3 241.400 3.270 20 0 BGADHN CCC[C@@H](CNCc1cc(C)sc1C)OC ZINC000382398180 347311816 /nfs/dbraw/zinc/31/18/16/347311816.db2.gz OVNJGTRHRNJGGZ-ZDUSSCGKSA-N 0 3 241.400 3.270 20 0 BGADHN Cc1cc(C)cc(CN[C@@H]2CCC[C@@H]2F)c1 ZINC000382399084 347310754 /nfs/dbraw/zinc/31/07/54/347310754.db2.gz PFXXFKSWUCBTAC-UONOGXRCSA-N 0 3 221.319 3.284 20 0 BGADHN CCC[C@H](CNCc1cccc(Cl)c1)OC ZINC000382406990 397947097 /nfs/dbraw/zinc/94/70/97/397947097.db2.gz SKWMHSRQDVQQEE-CYBMUJFWSA-N 0 3 241.762 3.245 20 0 BGADHN CCC[C@@H](CNCc1cccc(Cl)c1)OC ZINC000382406991 397946915 /nfs/dbraw/zinc/94/69/15/397946915.db2.gz SKWMHSRQDVQQEE-ZDUSSCGKSA-N 0 3 241.762 3.245 20 0 BGADHN CC[C@@H]1CCCC[C@H]1NCc1oc(C)nc1C ZINC000382506955 539009714 /nfs/dbraw/zinc/00/97/14/539009714.db2.gz PJKCXMQRGGKVOY-CHWSQXEVSA-N 0 3 236.359 3.350 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1NCc1oc(C)nc1C ZINC000382506965 539009913 /nfs/dbraw/zinc/00/99/13/539009913.db2.gz PJKCXMQRGGKVOY-OLZOCXBDSA-N 0 3 236.359 3.350 20 0 BGADHN CC[C@H]1CCCC[C@H]1NCc1oc(C)nc1C ZINC000382506968 539009917 /nfs/dbraw/zinc/00/99/17/539009917.db2.gz PJKCXMQRGGKVOY-QWHCGFSZSA-N 0 3 236.359 3.350 20 0 BGADHN CC[C@H]1CCCC[C@@H]1NCc1oc(C)nc1C ZINC000382506971 539009743 /nfs/dbraw/zinc/00/97/43/539009743.db2.gz PJKCXMQRGGKVOY-STQMWFEESA-N 0 3 236.359 3.350 20 0 BGADHN CCC1(NCc2nc(C)c(C)o2)CCCC1 ZINC000382582218 367545277 /nfs/dbraw/zinc/54/52/77/367545277.db2.gz YJNOZFGXAJVGIF-UHFFFAOYSA-N 0 3 222.332 3.104 20 0 BGADHN CCC1([NH2+]Cc2ccc([O-])c(F)c2)CCCC1 ZINC000382593899 710972629 /nfs/dbraw/zinc/97/26/29/710972629.db2.gz FWHBJQKZWGKSIA-UHFFFAOYSA-N 0 3 237.318 3.344 20 0 BGADHN CCC1([NH2+]Cc2cc([O-])cc(F)c2)CCCC1 ZINC000382599179 367546831 /nfs/dbraw/zinc/54/68/31/367546831.db2.gz MKTZLLOCSOWCOL-UHFFFAOYSA-N 0 3 237.318 3.344 20 0 BGADHN CCC1(NCc2cn3ccsc3n2)CCCC1 ZINC000382605082 367548449 /nfs/dbraw/zinc/54/84/49/367548449.db2.gz RWAHOYQUZYSMGL-UHFFFAOYSA-N 0 3 249.383 3.208 20 0 BGADHN CC[C@H](N[C@@H](C)c1cnccn1)C1CCCC1 ZINC000382767487 367554922 /nfs/dbraw/zinc/55/49/22/367554922.db2.gz HWPPAKBPBIPOQK-AAEUAGOBSA-N 0 3 233.359 3.096 20 0 BGADHN CC[C@@H](N[C@H](C)c1cnccn1)C1CCCC1 ZINC000382767488 367554366 /nfs/dbraw/zinc/55/43/66/367554366.db2.gz HWPPAKBPBIPOQK-DGCLKSJQSA-N 0 3 233.359 3.096 20 0 BGADHN CC[C@@H](N[C@@H](C)c1cnccn1)C1CCCC1 ZINC000382767489 367554122 /nfs/dbraw/zinc/55/41/22/367554122.db2.gz HWPPAKBPBIPOQK-WCQYABFASA-N 0 3 233.359 3.096 20 0 BGADHN CC[C@H](N[C@H](C)c1cnccn1)C1CCCC1 ZINC000382767490 367555133 /nfs/dbraw/zinc/55/51/33/367555133.db2.gz HWPPAKBPBIPOQK-YPMHNXCESA-N 0 3 233.359 3.096 20 0 BGADHN CC[C@H](N[C@@H](C)c1nccn1C)C1CCCC1 ZINC000382776800 347413478 /nfs/dbraw/zinc/41/34/78/347413478.db2.gz PFKQJUQUFUQTSD-AAEUAGOBSA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@@H](N[C@H](C)c1nccn1C)C1CCCC1 ZINC000382776803 367556621 /nfs/dbraw/zinc/55/66/21/367556621.db2.gz PFKQJUQUFUQTSD-DGCLKSJQSA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@@H](N[C@@H](C)c1nccn1C)C1CCCC1 ZINC000382776804 367555737 /nfs/dbraw/zinc/55/57/37/367555737.db2.gz PFKQJUQUFUQTSD-WCQYABFASA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@H](N[C@H](C)c1nccn1C)C1CCCC1 ZINC000382776807 367556720 /nfs/dbraw/zinc/55/67/20/367556720.db2.gz PFKQJUQUFUQTSD-YPMHNXCESA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@H](N[C@@H]1C[C@H](C)n2ccnc21)C1CCCC1 ZINC000382776869 367556421 /nfs/dbraw/zinc/55/64/21/367556421.db2.gz PGTDWWXJTVCNFG-FPMFFAJLSA-N 0 3 247.386 3.447 20 0 BGADHN CC[C@H](N[C@@H]1C[C@@H](C)n2ccnc21)C1CCCC1 ZINC000382776871 367556385 /nfs/dbraw/zinc/55/63/85/367556385.db2.gz PGTDWWXJTVCNFG-KWCYVHTRSA-N 0 3 247.386 3.447 20 0 BGADHN CC[C@H](N[C@H]1C[C@H](C)n2ccnc21)C1CCCC1 ZINC000382776873 367556793 /nfs/dbraw/zinc/55/67/93/367556793.db2.gz PGTDWWXJTVCNFG-UBHSHLNASA-N 0 3 247.386 3.447 20 0 BGADHN CC[C@H](N[C@H]1C[C@@H](C)n2ccnc21)C1CCCC1 ZINC000382776874 367556356 /nfs/dbraw/zinc/55/63/56/367556356.db2.gz PGTDWWXJTVCNFG-XBFCOCLRSA-N 0 3 247.386 3.447 20 0 BGADHN Cc1nc(C)c(CNCC2CCC(C)CC2)o1 ZINC000383003448 367584013 /nfs/dbraw/zinc/58/40/13/367584013.db2.gz FHYDWROXJIUPFO-UHFFFAOYSA-N 0 3 236.359 3.207 20 0 BGADHN Cc1nc(C)c(CN[C@@H]2CC[C@@H](C)[C@@H](C)C2)o1 ZINC000383051964 362003248 /nfs/dbraw/zinc/00/32/48/362003248.db2.gz KXBDYOWYVINHEA-GBIKHYSHSA-N 0 3 236.359 3.206 20 0 BGADHN Cc1nc(C)c(CN[C@@H]2CC[C@@H](C)[C@H](C)C2)o1 ZINC000383051966 362003569 /nfs/dbraw/zinc/00/35/69/362003569.db2.gz KXBDYOWYVINHEA-GIPNMCIBSA-N 0 3 236.359 3.206 20 0 BGADHN Cc1nc(C)c(CN[C@@H]2CC[C@H](C)[C@H](C)C2)o1 ZINC000383051967 362003083 /nfs/dbraw/zinc/00/30/83/362003083.db2.gz KXBDYOWYVINHEA-OPQQBVKSSA-N 0 3 236.359 3.206 20 0 BGADHN Cc1nc(C)c(CN[C@@H]2CC[C@H](C)[C@@H](C)C2)o1 ZINC000383051971 362003764 /nfs/dbraw/zinc/00/37/64/362003764.db2.gz KXBDYOWYVINHEA-OUJBWJOFSA-N 0 3 236.359 3.206 20 0 BGADHN Cc1nc(C)c(CNCCC2CCCCC2)o1 ZINC000383052965 367591459 /nfs/dbraw/zinc/59/14/59/367591459.db2.gz LJJLVSYUGMBWJH-UHFFFAOYSA-N 0 3 236.359 3.351 20 0 BGADHN CC(C)CCCCN[C@@H]1C[C@@H](C)n2ccnc21 ZINC000383057767 710922962 /nfs/dbraw/zinc/92/29/62/710922962.db2.gz BYTUCBZPNUZOHR-CHWSQXEVSA-N 0 3 235.375 3.305 20 0 BGADHN CC(C)CCCCN[C@H]1C[C@@H](C)n2ccnc21 ZINC000383057770 710923011 /nfs/dbraw/zinc/92/30/11/710923011.db2.gz BYTUCBZPNUZOHR-OLZOCXBDSA-N 0 3 235.375 3.305 20 0 BGADHN CC(C)CCCCN[C@@H]1C[C@H](C)n2ccnc21 ZINC000383057774 710923152 /nfs/dbraw/zinc/92/31/52/710923152.db2.gz BYTUCBZPNUZOHR-QWHCGFSZSA-N 0 3 235.375 3.305 20 0 BGADHN CC(C)CCCCN[C@H]1C[C@H](C)n2ccnc21 ZINC000383057776 710922985 /nfs/dbraw/zinc/92/29/85/710922985.db2.gz BYTUCBZPNUZOHR-STQMWFEESA-N 0 3 235.375 3.305 20 0 BGADHN CCCCC[C@H](C)N[C@H]1C[C@H](C)n2ccnc21 ZINC000383069852 710944943 /nfs/dbraw/zinc/94/49/43/710944943.db2.gz FPUOKFVPSVHXGM-AVGNSLFASA-N 0 3 235.375 3.447 20 0 BGADHN CCCCC[C@H](C)N[C@@H]1C[C@H](C)n2ccnc21 ZINC000383069857 710944873 /nfs/dbraw/zinc/94/48/73/710944873.db2.gz FPUOKFVPSVHXGM-RWMBFGLXSA-N 0 3 235.375 3.447 20 0 BGADHN CCCCC[C@H](C)N[C@H]1C[C@@H](C)n2ccnc21 ZINC000383069880 710945158 /nfs/dbraw/zinc/94/51/58/710945158.db2.gz FPUOKFVPSVHXGM-XQQFMLRXSA-N 0 3 235.375 3.447 20 0 BGADHN CCCCC[C@H](C)N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000383069893 710945301 /nfs/dbraw/zinc/94/53/01/710945301.db2.gz FPUOKFVPSVHXGM-YNEHKIRRSA-N 0 3 235.375 3.447 20 0 BGADHN Cc1nc(C)c(CNC2CCC(C)(C)CC2)o1 ZINC000383076062 374271694 /nfs/dbraw/zinc/27/16/94/374271694.db2.gz ROFDGIKKHOUALX-UHFFFAOYSA-N 0 3 236.359 3.350 20 0 BGADHN CCc1nc(C)c(CNC2CC(C(C)C)C2)o1 ZINC000383079003 347661094 /nfs/dbraw/zinc/66/10/94/347661094.db2.gz SRABDJXCZVZBFM-UHFFFAOYSA-N 0 3 236.359 3.070 20 0 BGADHN Cc1nc(C)c(CN[C@@H]2CCCC(C)(C)C2)o1 ZINC000383099144 367596356 /nfs/dbraw/zinc/59/63/56/367596356.db2.gz ZLRCKMDOAQVHAI-GFCCVEGCSA-N 0 3 236.359 3.350 20 0 BGADHN Cc1nc(C)c(CN[C@H]2CCCC(C)(C)C2)o1 ZINC000383099147 362006513 /nfs/dbraw/zinc/00/65/13/362006513.db2.gz ZLRCKMDOAQVHAI-LBPRGKRZSA-N 0 3 236.359 3.350 20 0 BGADHN Fc1ccc(CNCC2CC(F)(F)C2)c(F)c1 ZINC000383132535 367599636 /nfs/dbraw/zinc/59/96/36/367599636.db2.gz DFGFZPUAWQSVQB-UHFFFAOYSA-N 0 3 247.235 3.100 20 0 BGADHN Cc1nc(C)c(CN[C@H]2CCC[C@H](C)CC2)o1 ZINC000383155079 362009856 /nfs/dbraw/zinc/00/98/56/362009856.db2.gz KLVQTYSGRWMJJP-GWCFXTLKSA-N 0 3 236.359 3.350 20 0 BGADHN Cc1nc(C)c(CN[C@@H]2CCC[C@H](C)CC2)o1 ZINC000383155081 362009864 /nfs/dbraw/zinc/00/98/64/362009864.db2.gz KLVQTYSGRWMJJP-GXFFZTMASA-N 0 3 236.359 3.350 20 0 BGADHN Cc1nc(C)c(CN[C@H]2CCC[C@@H](C)CC2)o1 ZINC000383155082 362009589 /nfs/dbraw/zinc/00/95/89/362009589.db2.gz KLVQTYSGRWMJJP-MFKMUULPSA-N 0 3 236.359 3.350 20 0 BGADHN Cc1nc(C)c(CN[C@@H]2CCC[C@@H](C)CC2)o1 ZINC000383155084 362009780 /nfs/dbraw/zinc/00/97/80/362009780.db2.gz KLVQTYSGRWMJJP-ZWNOBZJWSA-N 0 3 236.359 3.350 20 0 BGADHN Cc1nc(C)c(CN[C@@H]2CCC[C@@H](C)[C@@H]2C)o1 ZINC000383223226 539011728 /nfs/dbraw/zinc/01/17/28/539011728.db2.gz ZYVNNIPVXQIZPF-GBIKHYSHSA-N 0 3 236.359 3.206 20 0 BGADHN Cc1nc(C)c(CN[C@@H]2CCC[C@@H](C)[C@H]2C)o1 ZINC000383223227 539011750 /nfs/dbraw/zinc/01/17/50/539011750.db2.gz ZYVNNIPVXQIZPF-GIPNMCIBSA-N 0 3 236.359 3.206 20 0 BGADHN Cc1nc(C)c(CN[C@@H]2CCC[C@H](C)[C@H]2C)o1 ZINC000383223228 539011644 /nfs/dbraw/zinc/01/16/44/539011644.db2.gz ZYVNNIPVXQIZPF-OPQQBVKSSA-N 0 3 236.359 3.206 20 0 BGADHN Cc1nc(C)c(CN[C@@H]2CCC[C@H](C)[C@@H]2C)o1 ZINC000383223229 539011778 /nfs/dbraw/zinc/01/17/78/539011778.db2.gz ZYVNNIPVXQIZPF-OUJBWJOFSA-N 0 3 236.359 3.206 20 0 BGADHN C[C@@H](N[C@@H]1C[C@H](C)n2ccnc21)C1CCCC1 ZINC000383357252 367615015 /nfs/dbraw/zinc/61/50/15/367615015.db2.gz VRMGHQWOGDPZAN-DMDPSCGWSA-N 0 3 233.359 3.057 20 0 BGADHN C[C@@H](N[C@H]1C[C@H](C)n2ccnc21)C1CCCC1 ZINC000383357255 367614900 /nfs/dbraw/zinc/61/49/00/367614900.db2.gz VRMGHQWOGDPZAN-LOWVWBTDSA-N 0 3 233.359 3.057 20 0 BGADHN C[C@@H](N[C@@H]1C[C@@H](C)n2ccnc21)C1CCCC1 ZINC000383357257 367615660 /nfs/dbraw/zinc/61/56/60/367615660.db2.gz VRMGHQWOGDPZAN-NQBHXWOUSA-N 0 3 233.359 3.057 20 0 BGADHN C[C@@H](N[C@H]1C[C@@H](C)n2ccnc21)C1CCCC1 ZINC000383357261 367615421 /nfs/dbraw/zinc/61/54/21/367615421.db2.gz VRMGHQWOGDPZAN-WZRBSPASSA-N 0 3 233.359 3.057 20 0 BGADHN Fc1ccc(F)c(CN[C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000383370817 367617939 /nfs/dbraw/zinc/61/79/39/367617939.db2.gz YOWGHWABKOYULR-LJWDBELGSA-N 0 3 237.293 3.243 20 0 BGADHN Fc1ccc(F)c(CN[C@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000383370828 367618298 /nfs/dbraw/zinc/61/82/98/367618298.db2.gz YOWGHWABKOYULR-LQJRIPTKSA-N 0 3 237.293 3.243 20 0 BGADHN Cc1csc([C@@H](C)NCC2CC(F)(F)C2)n1 ZINC000383394106 367619521 /nfs/dbraw/zinc/61/95/21/367619521.db2.gz PQAQGXLEZRXQKQ-MRVPVSSYSA-N 0 3 246.326 3.147 20 0 BGADHN Cc1csc([C@H](C)NCC2CC(F)(F)C2)n1 ZINC000383394107 367619379 /nfs/dbraw/zinc/61/93/79/367619379.db2.gz PQAQGXLEZRXQKQ-QMMMGPOBSA-N 0 3 246.326 3.147 20 0 BGADHN CC1(C)CC[C@@H]1Nc1ccnc2ccccc21 ZINC000383410215 367620867 /nfs/dbraw/zinc/62/08/67/367620867.db2.gz TXSYGKLPDVRJJG-AWEZNQCLSA-N 0 3 226.323 3.257 20 0 BGADHN CC1(C)CC[C@H]1Nc1ccnc2ccccc21 ZINC000383410218 367620786 /nfs/dbraw/zinc/62/07/86/367620786.db2.gz TXSYGKLPDVRJJG-CQSZACIVSA-N 0 3 226.323 3.257 20 0 BGADHN CC(C)CCCCCCNCc1cn(C)cn1 ZINC000383498452 710983005 /nfs/dbraw/zinc/98/30/05/710983005.db2.gz DQVDCCPYSZLHTK-UHFFFAOYSA-N 0 3 237.391 3.116 20 0 BGADHN Fc1ccc(CN[C@@H]2CCC[C@@H]3C[C@@H]32)c(F)c1 ZINC000383504052 367630581 /nfs/dbraw/zinc/63/05/81/367630581.db2.gz FTHKDOBSASQKHC-LJWDBELGSA-N 0 3 237.293 3.243 20 0 BGADHN CCOC1(CN[C@H](C)c2ccoc2)CCCC1 ZINC000383570261 367641359 /nfs/dbraw/zinc/64/13/59/367641359.db2.gz CCOQTJVUVQIONM-GFCCVEGCSA-N 0 3 237.343 3.280 20 0 BGADHN CCOC1(CN[C@@H](C)c2ccoc2)CCCC1 ZINC000383570266 367640534 /nfs/dbraw/zinc/64/05/34/367640534.db2.gz CCOQTJVUVQIONM-LBPRGKRZSA-N 0 3 237.343 3.280 20 0 BGADHN C[C@@H]1C[C@H](Nc2cccc(CN(C)C)c2)[C@@H]1C ZINC000383621434 367644837 /nfs/dbraw/zinc/64/48/37/367644837.db2.gz VGOIHMKLHMKMMU-JMSVASOKSA-N 0 3 232.371 3.205 20 0 BGADHN C[C@@H]1C[C@@H](Nc2cccc(CN(C)C)c2)[C@@H]1C ZINC000383621436 367644717 /nfs/dbraw/zinc/64/47/17/367644717.db2.gz VGOIHMKLHMKMMU-LALPHHSUSA-N 0 3 232.371 3.205 20 0 BGADHN C[C@@H]1C[C@@H](Nc2cccc(CN(C)C)c2)[C@H]1C ZINC000383621438 367644003 /nfs/dbraw/zinc/64/40/03/367644003.db2.gz VGOIHMKLHMKMMU-TYNCELHUSA-N 0 3 232.371 3.205 20 0 BGADHN C[C@@H]1C[C@H](Nc2cccc(CN(C)C)c2)[C@H]1C ZINC000383621440 367644800 /nfs/dbraw/zinc/64/48/00/367644800.db2.gz VGOIHMKLHMKMMU-XUJVJEKNSA-N 0 3 232.371 3.205 20 0 BGADHN C[C@H](CN[C@@H](C)c1ncc[nH]1)C1CCCCC1 ZINC000383623052 354404191 /nfs/dbraw/zinc/40/41/91/354404191.db2.gz AFCSHKZIDMDSSB-NEPJUHHUSA-N 0 3 235.375 3.277 20 0 BGADHN C[C@@H](CN[C@H](C)c1ncc[nH]1)C1CCCCC1 ZINC000383623056 354404256 /nfs/dbraw/zinc/40/42/56/354404256.db2.gz AFCSHKZIDMDSSB-NWDGAFQWSA-N 0 3 235.375 3.277 20 0 BGADHN C[C@@H](CN[C@@H](C)c1ncc[nH]1)C1CCCCC1 ZINC000383623059 354404348 /nfs/dbraw/zinc/40/43/48/354404348.db2.gz AFCSHKZIDMDSSB-RYUDHWBXSA-N 0 3 235.375 3.277 20 0 BGADHN C[C@@H](NC[C@@H](C)C1CCCCC1)c1ncc[nH]1 ZINC000383623063 354404227 /nfs/dbraw/zinc/40/42/27/354404227.db2.gz AFCSHKZIDMDSSB-VXGBXAGGSA-N 0 3 235.375 3.277 20 0 BGADHN CCCCCC(C)(C)CNCc1cn(C)cn1 ZINC000383672242 710984276 /nfs/dbraw/zinc/98/42/76/710984276.db2.gz MECKFZDXZXNIFQ-UHFFFAOYSA-N 0 3 237.391 3.116 20 0 BGADHN C[C@@H]1SCC[C@@H]1NCc1cc2ccccc2o1 ZINC000383703301 541514187 /nfs/dbraw/zinc/51/41/87/541514187.db2.gz VWITZRBYEUIPMJ-GWCFXTLKSA-N 0 3 247.363 3.416 20 0 BGADHN C[C@@H]1SCC[C@H]1NCc1cc2ccccc2o1 ZINC000383703303 541514345 /nfs/dbraw/zinc/51/43/45/541514345.db2.gz VWITZRBYEUIPMJ-GXFFZTMASA-N 0 3 247.363 3.416 20 0 BGADHN C[C@H]1SCC[C@@H]1NCc1cc2ccccc2o1 ZINC000383703306 541514600 /nfs/dbraw/zinc/51/46/00/541514600.db2.gz VWITZRBYEUIPMJ-MFKMUULPSA-N 0 3 247.363 3.416 20 0 BGADHN C[C@H]1SCC[C@H]1NCc1cc2ccccc2o1 ZINC000383703308 541514451 /nfs/dbraw/zinc/51/44/51/541514451.db2.gz VWITZRBYEUIPMJ-ZWNOBZJWSA-N 0 3 247.363 3.416 20 0 BGADHN Cc1cc(CNCC[C@@H]2CCC[C@H](C)C2)on1 ZINC000383723147 342721335 /nfs/dbraw/zinc/72/13/35/342721335.db2.gz YQTMTLCALROJCU-AAEUAGOBSA-N 0 3 236.359 3.289 20 0 BGADHN Cc1cc(CNCC[C@H]2CCC[C@@H](C)C2)on1 ZINC000383723150 342721361 /nfs/dbraw/zinc/72/13/61/342721361.db2.gz YQTMTLCALROJCU-DGCLKSJQSA-N 0 3 236.359 3.289 20 0 BGADHN Cc1cc(CNCC[C@H]2CCC[C@H](C)C2)on1 ZINC000383723153 342721233 /nfs/dbraw/zinc/72/12/33/342721233.db2.gz YQTMTLCALROJCU-WCQYABFASA-N 0 3 236.359 3.289 20 0 BGADHN Cc1cc(CNCC[C@@H]2CCC[C@@H](C)C2)on1 ZINC000383723156 367650035 /nfs/dbraw/zinc/65/00/35/367650035.db2.gz YQTMTLCALROJCU-YPMHNXCESA-N 0 3 236.359 3.289 20 0 BGADHN COc1ccc(F)cc1CNCCC(C)(C)C ZINC000383784482 367652879 /nfs/dbraw/zinc/65/28/79/367652879.db2.gz PSVXXGCBHFIVMM-UHFFFAOYSA-N 0 3 239.334 3.360 20 0 BGADHN FC1(F)CC[C@H](N[C@@H]2CCCc3occc32)C1 ZINC000383883891 539012527 /nfs/dbraw/zinc/01/25/27/539012527.db2.gz SFBMGYCRCSFFIN-GXSJLCMTSA-N 0 3 241.281 3.434 20 0 BGADHN FC1(F)CC[C@@H](N[C@H]2CCCc3occc32)C1 ZINC000383883893 539012041 /nfs/dbraw/zinc/01/20/41/539012041.db2.gz SFBMGYCRCSFFIN-KOLCDFICSA-N 0 3 241.281 3.434 20 0 BGADHN FC1(F)CC[C@@H](N[C@@H]2CCCc3occc32)C1 ZINC000383883894 539012520 /nfs/dbraw/zinc/01/25/20/539012520.db2.gz SFBMGYCRCSFFIN-MWLCHTKSSA-N 0 3 241.281 3.434 20 0 BGADHN FC1(F)CC[C@H](N[C@H]2CCCc3occc32)C1 ZINC000383883895 539012141 /nfs/dbraw/zinc/01/21/41/539012141.db2.gz SFBMGYCRCSFFIN-ONGXEEELSA-N 0 3 241.281 3.434 20 0 BGADHN Fc1ccc(F)c(CN[C@H]2CCC(F)(F)C2)c1 ZINC000383893272 539012504 /nfs/dbraw/zinc/01/25/04/539012504.db2.gz VGKSFFKVKRTOKY-JTQLQIEISA-N 0 3 247.235 3.242 20 0 BGADHN Fc1ccc(F)c(CN[C@@H]2CCC(F)(F)C2)c1 ZINC000383893274 539012536 /nfs/dbraw/zinc/01/25/36/539012536.db2.gz VGKSFFKVKRTOKY-SNVBAGLBSA-N 0 3 247.235 3.242 20 0 BGADHN Cc1cc(CN[C@@H]2CCC(F)(F)C2)ccc1F ZINC000383941436 539012430 /nfs/dbraw/zinc/01/24/30/539012430.db2.gz DZVJLEJWPPKKON-LLVKDONJSA-N 0 3 243.272 3.412 20 0 BGADHN Cc1cc(CN[C@H]2CCC(F)(F)C2)ccc1F ZINC000383941441 541386635 /nfs/dbraw/zinc/38/66/35/541386635.db2.gz DZVJLEJWPPKKON-NSHDSACASA-N 0 3 243.272 3.412 20 0 BGADHN CCn1ccnc1CNCC(C)(C)C(C)(C)C ZINC000383942207 398258795 /nfs/dbraw/zinc/25/87/95/398258795.db2.gz FFAQRYXAULAVDE-UHFFFAOYSA-N 0 3 237.391 3.065 20 0 BGADHN Cc1ccc(F)c(CN[C@@H]2CCC(F)(F)C2)c1 ZINC000383950603 539012347 /nfs/dbraw/zinc/01/23/47/539012347.db2.gz GQLBSNDJBHVTKR-LLVKDONJSA-N 0 3 243.272 3.412 20 0 BGADHN Cc1ccc(F)c(CN[C@H]2CCC(F)(F)C2)c1 ZINC000383950615 539012336 /nfs/dbraw/zinc/01/23/36/539012336.db2.gz GQLBSNDJBHVTKR-NSHDSACASA-N 0 3 243.272 3.412 20 0 BGADHN Cc1cc(C)cc(CNCc2cccc(O)c2)c1 ZINC000384007278 355916878 /nfs/dbraw/zinc/91/68/78/355916878.db2.gz XJTKAARTVRWOHT-UHFFFAOYSA-N 0 3 241.334 3.299 20 0 BGADHN CCC(C)(C)CNCc1cc(F)ccc1OC ZINC000384013471 367668201 /nfs/dbraw/zinc/66/82/01/367668201.db2.gz QDVTTZHCQSGSAP-UHFFFAOYSA-N 0 3 239.334 3.360 20 0 BGADHN CCCN(CC(C)C)[C@H](C)C(=O)OC(C)(C)C ZINC000384032886 367670145 /nfs/dbraw/zinc/67/01/45/367670145.db2.gz LQMIUWWVADZHLG-GFCCVEGCSA-N 0 3 243.391 3.085 20 0 BGADHN CCCN(CC(C)C)[C@@H](C)C(=O)OC(C)(C)C ZINC000384032889 367669634 /nfs/dbraw/zinc/66/96/34/367669634.db2.gz LQMIUWWVADZHLG-LBPRGKRZSA-N 0 3 243.391 3.085 20 0 BGADHN Cc1cc(CN[C@H](C)C2CCCCCC2)on1 ZINC000384041347 367669183 /nfs/dbraw/zinc/66/91/83/367669183.db2.gz VBENFGZQMVIOAW-GFCCVEGCSA-N 0 3 236.359 3.432 20 0 BGADHN Cc1cc(F)ccc1CN[C@@H]1CCC(F)(F)C1 ZINC000384060803 539012215 /nfs/dbraw/zinc/01/22/15/539012215.db2.gz SWTPZYRVEFSTGA-GFCCVEGCSA-N 0 3 243.272 3.412 20 0 BGADHN Cc1cc(F)ccc1CN[C@H]1CCC(F)(F)C1 ZINC000384060804 539012388 /nfs/dbraw/zinc/01/23/88/539012388.db2.gz SWTPZYRVEFSTGA-LBPRGKRZSA-N 0 3 243.272 3.412 20 0 BGADHN CC/C=C\CNCc1cccc(C)c1F ZINC000384400419 367689508 /nfs/dbraw/zinc/68/95/08/367689508.db2.gz CKCYNVBOUJDTHS-PLNGDYQASA-N 0 3 207.292 3.190 20 0 BGADHN CC/C=C/CNCc1cccc(C)c1F ZINC000384400420 367689091 /nfs/dbraw/zinc/68/90/91/367689091.db2.gz CKCYNVBOUJDTHS-SNAWJCMRSA-N 0 3 207.292 3.190 20 0 BGADHN CSCCCCNCc1cccc(C)c1F ZINC000384400914 367689551 /nfs/dbraw/zinc/68/95/51/367689551.db2.gz CNGKRDAXUDJLDZ-UHFFFAOYSA-N 0 3 241.375 3.367 20 0 BGADHN CCC[C@H](CNCc1cccc(C)c1F)OC ZINC000384411857 367690229 /nfs/dbraw/zinc/69/02/29/367690229.db2.gz FGUCQNCYWKDQLV-CYBMUJFWSA-N 0 3 239.334 3.039 20 0 BGADHN CCC[C@@H](CNCc1cccc(C)c1F)OC ZINC000384411858 367690574 /nfs/dbraw/zinc/69/05/74/367690574.db2.gz FGUCQNCYWKDQLV-ZDUSSCGKSA-N 0 3 239.334 3.039 20 0 BGADHN Cc1cccc(CNCCSC(C)C)c1F ZINC000384413035 367690510 /nfs/dbraw/zinc/69/05/10/367690510.db2.gz FOQFNZHSYJYMOZ-UHFFFAOYSA-N 0 3 241.375 3.365 20 0 BGADHN Cc1cccc(CNCC2(C3CC3)CC2)c1F ZINC000384437325 367691564 /nfs/dbraw/zinc/69/15/64/367691564.db2.gz FEKWUULQOQSSFB-UHFFFAOYSA-N 0 3 233.330 3.414 20 0 BGADHN Cc1cccc(CNCCC2CC2)c1F ZINC000384453189 398091552 /nfs/dbraw/zinc/09/15/52/398091552.db2.gz AKTBDMXFQPIBGF-UHFFFAOYSA-N 0 3 207.292 3.024 20 0 BGADHN Cc1cccc(CNCC2(C)CC2)c1F ZINC000384455741 367692333 /nfs/dbraw/zinc/69/23/33/367692333.db2.gz BEUZYPUMEISBDV-UHFFFAOYSA-N 0 3 207.292 3.024 20 0 BGADHN CCSCCCNCc1cccc(C)c1F ZINC000384484222 350358859 /nfs/dbraw/zinc/35/88/59/350358859.db2.gz HSCZXJWNGKQWPC-UHFFFAOYSA-N 0 3 241.375 3.367 20 0 BGADHN C[C@@H](CC(C)(C)C)[NH2+]Cc1cc([O-])cc(F)c1 ZINC000384497713 367693931 /nfs/dbraw/zinc/69/39/31/367693931.db2.gz OFJSXIBBBOOYSV-JTQLQIEISA-N 0 3 239.334 3.446 20 0 BGADHN C[C@H](CC(C)(C)C)[NH2+]Cc1cc([O-])cc(F)c1 ZINC000384497714 367693686 /nfs/dbraw/zinc/69/36/86/367693686.db2.gz OFJSXIBBBOOYSV-SNVBAGLBSA-N 0 3 239.334 3.446 20 0 BGADHN CCCCOCCNCc1cccc(C)c1F ZINC000384498413 367694099 /nfs/dbraw/zinc/69/40/99/367694099.db2.gz BQBOCJSDHBXKDK-UHFFFAOYSA-N 0 3 239.334 3.040 20 0 BGADHN Cc1cccc(CN[C@@H]2CCS[C@H]2C)c1F ZINC000384498844 398259468 /nfs/dbraw/zinc/25/94/68/398259468.db2.gz OQKWIHLPPGFWJZ-CMPLNLGQSA-N 0 3 239.359 3.118 20 0 BGADHN Cc1cccc(CN[C@H]2CCS[C@H]2C)c1F ZINC000384498845 398259351 /nfs/dbraw/zinc/25/93/51/398259351.db2.gz OQKWIHLPPGFWJZ-JQWIXIFHSA-N 0 3 239.359 3.118 20 0 BGADHN Cc1cccc(CN[C@H]2CCS[C@@H]2C)c1F ZINC000384498846 398093468 /nfs/dbraw/zinc/09/34/68/398093468.db2.gz OQKWIHLPPGFWJZ-PWSUYJOCSA-N 0 3 239.359 3.118 20 0 BGADHN Cc1cccc(CN[C@@H]2CCS[C@@H]2C)c1F ZINC000384498847 398093293 /nfs/dbraw/zinc/09/32/93/398093293.db2.gz OQKWIHLPPGFWJZ-ZYHUDNBSSA-N 0 3 239.359 3.118 20 0 BGADHN CC[C@H](CSC)NCc1cccc(C)c1F ZINC000384505177 367694217 /nfs/dbraw/zinc/69/42/17/367694217.db2.gz QWGNHTGRNHUQFF-GFCCVEGCSA-N 0 3 241.375 3.365 20 0 BGADHN CC[C@@H](CSC)NCc1cccc(C)c1F ZINC000384505179 367693721 /nfs/dbraw/zinc/69/37/21/367693721.db2.gz QWGNHTGRNHUQFF-LBPRGKRZSA-N 0 3 241.375 3.365 20 0 BGADHN COCCCCCNCc1cccc(C)c1F ZINC000384511250 367695763 /nfs/dbraw/zinc/69/57/63/367695763.db2.gz HFBQHSAMPXCGQR-UHFFFAOYSA-N 0 3 239.334 3.040 20 0 BGADHN C[C@@H](N[C@H]1C[C@@H](C)O[C@@H]1C)c1cccc(F)c1 ZINC000384512007 398092695 /nfs/dbraw/zinc/09/26/95/398092695.db2.gz ABYFTQIJHQDVKQ-BIAAXOCRSA-N 0 3 237.318 3.042 20 0 BGADHN C[C@H](N[C@H]1C[C@@H](C)O[C@@H]1C)c1cccc(F)c1 ZINC000384512008 398092552 /nfs/dbraw/zinc/09/25/52/398092552.db2.gz ABYFTQIJHQDVKQ-DEKYYXRVSA-N 0 3 237.318 3.042 20 0 BGADHN C[C@@H](N[C@H]1C[C@@H](C)O[C@H]1C)c1cccc(F)c1 ZINC000384512012 398092842 /nfs/dbraw/zinc/09/28/42/398092842.db2.gz ABYFTQIJHQDVKQ-PUHVVEEASA-N 0 3 237.318 3.042 20 0 BGADHN C[C@H](N[C@H]1C[C@@H](C)O[C@H]1C)c1cccc(F)c1 ZINC000384512016 398092514 /nfs/dbraw/zinc/09/25/14/398092514.db2.gz ABYFTQIJHQDVKQ-ZHPDPMBESA-N 0 3 237.318 3.042 20 0 BGADHN Cc1cccc(CNC[C@H]2CCCS2)c1F ZINC000384513302 367695435 /nfs/dbraw/zinc/69/54/35/367695435.db2.gz URUOGKQZBAEJSX-GFCCVEGCSA-N 0 3 239.359 3.119 20 0 BGADHN Cc1cccc(CNC[C@@H]2CCCS2)c1F ZINC000384513303 367695219 /nfs/dbraw/zinc/69/52/19/367695219.db2.gz URUOGKQZBAEJSX-LBPRGKRZSA-N 0 3 239.359 3.119 20 0 BGADHN Cc1cccc(CN[C@@H]2CCC(F)(F)C2)c1F ZINC000384532943 411295026 /nfs/dbraw/zinc/29/50/26/411295026.db2.gz MPORFXZMVSGMSI-LLVKDONJSA-N 0 3 243.272 3.412 20 0 BGADHN Cc1cccc(CN[C@H]2CCC(F)(F)C2)c1F ZINC000384532944 411295005 /nfs/dbraw/zinc/29/50/05/411295005.db2.gz MPORFXZMVSGMSI-NSHDSACASA-N 0 3 243.272 3.412 20 0 BGADHN C[C@@H]1C[C@H]1c1ccc(CN[C@H]2C[C@@H](C)O[C@H]2C)o1 ZINC000384533767 367698056 /nfs/dbraw/zinc/69/80/56/367698056.db2.gz CZTJDYZEKUTCEA-BLUODKFWSA-N 0 3 249.354 3.059 20 0 BGADHN C[C@H]1C[C@H]1c1ccc(CN[C@H]2C[C@@H](C)O[C@H]2C)o1 ZINC000384533785 367697737 /nfs/dbraw/zinc/69/77/37/367697737.db2.gz CZTJDYZEKUTCEA-CDCRFNPESA-N 0 3 249.354 3.059 20 0 BGADHN C[C@H]1C[C@H]1c1ccc(CN[C@H]2C[C@@H](C)O[C@@H]2C)o1 ZINC000384533786 367697468 /nfs/dbraw/zinc/69/74/68/367697468.db2.gz CZTJDYZEKUTCEA-LZFBMIIGSA-N 0 3 249.354 3.059 20 0 BGADHN C[C@@H]1C[C@H]1c1ccc(CN[C@H]2C[C@@H](C)O[C@@H]2C)o1 ZINC000384533787 367698094 /nfs/dbraw/zinc/69/80/94/367698094.db2.gz CZTJDYZEKUTCEA-XMKDAVRRSA-N 0 3 249.354 3.059 20 0 BGADHN COc1cccc(CN[C@H](C)CC(C)(C)C)n1 ZINC000384537097 367697393 /nfs/dbraw/zinc/69/73/93/367697393.db2.gz NJWCQRYDSQTGQR-LLVKDONJSA-N 0 3 236.359 3.005 20 0 BGADHN COc1cccc(CN[C@@H](C)CC(C)(C)C)n1 ZINC000384537099 367697640 /nfs/dbraw/zinc/69/76/40/367697640.db2.gz NJWCQRYDSQTGQR-NSHDSACASA-N 0 3 236.359 3.005 20 0 BGADHN C[C@@H]1C[C@H](NCc2cc3ccccc3o2)[C@@H](C)O1 ZINC000384552344 367699540 /nfs/dbraw/zinc/69/95/40/367699540.db2.gz GKZCKENHNZYQLO-GYSYKLTISA-N 0 3 245.322 3.088 20 0 BGADHN C[C@@H]1C[C@@H](NCc2cc3ccccc3o2)[C@@H](C)O1 ZINC000384552347 367699856 /nfs/dbraw/zinc/69/98/56/367699856.db2.gz GKZCKENHNZYQLO-JTNHKYCSSA-N 0 3 245.322 3.088 20 0 BGADHN C[C@@H]1C[C@H](NCc2cc3ccccc3o2)[C@H](C)O1 ZINC000384552349 367699836 /nfs/dbraw/zinc/69/98/36/367699836.db2.gz GKZCKENHNZYQLO-SUNKGSAMSA-N 0 3 245.322 3.088 20 0 BGADHN C[C@@H]1C[C@@H](NCc2cc3ccccc3o2)[C@H](C)O1 ZINC000384552355 367699652 /nfs/dbraw/zinc/69/96/52/367699652.db2.gz GKZCKENHNZYQLO-UHIISALHSA-N 0 3 245.322 3.088 20 0 BGADHN COCc1ccc(CN[C@H](C)CC(C)(C)C)o1 ZINC000384557827 367700365 /nfs/dbraw/zinc/70/03/65/367700365.db2.gz RKZKZSBTVZDRLI-LLVKDONJSA-N 0 3 239.359 3.340 20 0 BGADHN COCc1ccc(CN[C@@H](C)CC(C)(C)C)o1 ZINC000384557828 367700399 /nfs/dbraw/zinc/70/03/99/367700399.db2.gz RKZKZSBTVZDRLI-NSHDSACASA-N 0 3 239.359 3.340 20 0 BGADHN C[C@H](CC(C)(C)C)N[C@@H]1C[C@H](C)n2ccnc21 ZINC000384564185 367700984 /nfs/dbraw/zinc/70/09/84/367700984.db2.gz SUFZTDQAXOPZAH-GRYCIOLGSA-N 0 3 235.375 3.303 20 0 BGADHN C[C@H](CC(C)(C)C)N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000384564186 367701060 /nfs/dbraw/zinc/70/10/60/367701060.db2.gz SUFZTDQAXOPZAH-IJLUTSLNSA-N 0 3 235.375 3.303 20 0 BGADHN C[C@H](CC(C)(C)C)N[C@H]1C[C@@H](C)n2ccnc21 ZINC000384564187 367700992 /nfs/dbraw/zinc/70/09/92/367700992.db2.gz SUFZTDQAXOPZAH-UTUOFQBUSA-N 0 3 235.375 3.303 20 0 BGADHN C[C@H](CC(C)(C)C)N[C@H]1C[C@H](C)n2ccnc21 ZINC000384564188 367700643 /nfs/dbraw/zinc/70/06/43/367700643.db2.gz SUFZTDQAXOPZAH-WOPDTQHZSA-N 0 3 235.375 3.303 20 0 BGADHN COc1ncc(CN[C@H](C)CC(C)(C)C)s1 ZINC000384566954 398259512 /nfs/dbraw/zinc/25/95/12/398259512.db2.gz UALCBPAVVOVTEM-SECBINFHSA-N 0 3 242.388 3.066 20 0 BGADHN COc1ncc(CN[C@@H](C)CC(C)(C)C)s1 ZINC000384566955 398259487 /nfs/dbraw/zinc/25/94/87/398259487.db2.gz UALCBPAVVOVTEM-VIFPVBQESA-N 0 3 242.388 3.066 20 0 BGADHN Cc1cccc(CN[C@@H]2CC=CCC2)c1F ZINC000384584493 367703444 /nfs/dbraw/zinc/70/34/44/367703444.db2.gz XVKASRPKPWQVOS-CYBMUJFWSA-N 0 3 219.303 3.332 20 0 BGADHN Cc1cccc(CN[C@H]2CC=CCC2)c1F ZINC000384584494 367703305 /nfs/dbraw/zinc/70/33/05/367703305.db2.gz XVKASRPKPWQVOS-ZDUSSCGKSA-N 0 3 219.303 3.332 20 0 BGADHN C[C@@H]1C[C@@H](NCc2ccc(Cl)s2)[C@H](C)O1 ZINC000384626218 367709043 /nfs/dbraw/zinc/70/90/43/367709043.db2.gz QSKIGPMDSKXHBP-KHQFGBGNSA-N 0 3 245.775 3.057 20 0 BGADHN C[C@@H]1C[C@H](NCc2ccc(Cl)s2)[C@@H](C)O1 ZINC000384626219 367708814 /nfs/dbraw/zinc/70/88/14/367708814.db2.gz QSKIGPMDSKXHBP-MRTMQBJTSA-N 0 3 245.775 3.057 20 0 BGADHN C[C@@H]1C[C@@H](NCc2ccc(Cl)s2)[C@@H](C)O1 ZINC000384626220 367708445 /nfs/dbraw/zinc/70/84/45/367708445.db2.gz QSKIGPMDSKXHBP-NQMVMOMDSA-N 0 3 245.775 3.057 20 0 BGADHN C[C@@H]1C[C@H](NCc2ccc(Cl)s2)[C@H](C)O1 ZINC000384626221 367709033 /nfs/dbraw/zinc/70/90/33/367709033.db2.gz QSKIGPMDSKXHBP-WEDXCCLWSA-N 0 3 245.775 3.057 20 0 BGADHN CCc1nc(C)c(CN[C@@H](C)CC(C)(C)C)o1 ZINC000384635596 367710715 /nfs/dbraw/zinc/71/07/15/367710715.db2.gz AAZFUYAPGKNYFX-JTQLQIEISA-N 0 3 238.375 3.460 20 0 BGADHN CCc1nc(C)c(CN[C@H](C)CC(C)(C)C)o1 ZINC000384635598 367710174 /nfs/dbraw/zinc/71/01/74/367710174.db2.gz AAZFUYAPGKNYFX-SNVBAGLBSA-N 0 3 238.375 3.460 20 0 BGADHN Cc1cccc(CN[C@@H]2CC[C@H]2C)c1F ZINC000384644495 367712068 /nfs/dbraw/zinc/71/20/68/367712068.db2.gz MBDRBCIXKBYEEQ-BXKDBHETSA-N 0 3 207.292 3.022 20 0 BGADHN Cc1cccc(CN[C@H]2CC[C@@H]2C)c1F ZINC000384644502 367712295 /nfs/dbraw/zinc/71/22/95/367712295.db2.gz MBDRBCIXKBYEEQ-CABZTGNLSA-N 0 3 207.292 3.022 20 0 BGADHN Cc1cccc(CN[C@@H]2CC[C@@H]2C)c1F ZINC000384644507 367712187 /nfs/dbraw/zinc/71/21/87/367712187.db2.gz MBDRBCIXKBYEEQ-JOYOIKCWSA-N 0 3 207.292 3.022 20 0 BGADHN Cc1cccc(CN[C@H]2CC[C@H]2C)c1F ZINC000384644513 367711588 /nfs/dbraw/zinc/71/15/88/367711588.db2.gz MBDRBCIXKBYEEQ-SKDRFNHKSA-N 0 3 207.292 3.022 20 0 BGADHN CC(C)=CCNCc1cccc(C)c1F ZINC000384675260 367714041 /nfs/dbraw/zinc/71/40/41/367714041.db2.gz RSJUIAADAUNUGC-UHFFFAOYSA-N 0 3 207.292 3.190 20 0 BGADHN Cc1cccc(CNC2(C)CCC2)c1F ZINC000384689609 398102339 /nfs/dbraw/zinc/10/23/39/398102339.db2.gz WOQVNKFCVRIASX-UHFFFAOYSA-N 0 3 207.292 3.166 20 0 BGADHN C/C=C\CN[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000384706158 356726733 /nfs/dbraw/zinc/72/67/33/356726733.db2.gz CDWGIGUVTRZWLH-DXTPNHAXSA-N 0 3 234.299 3.212 20 0 BGADHN C/C=C\CN[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000384706159 356726770 /nfs/dbraw/zinc/72/67/70/356726770.db2.gz CDWGIGUVTRZWLH-HSBHDXMMSA-N 0 3 234.299 3.212 20 0 BGADHN C/C=C/CN[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000384706160 356726882 /nfs/dbraw/zinc/72/68/82/356726882.db2.gz CDWGIGUVTRZWLH-LQPUYASZSA-N 0 3 234.299 3.212 20 0 BGADHN C/C=C/CN[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000384706161 356726928 /nfs/dbraw/zinc/72/69/28/356726928.db2.gz CDWGIGUVTRZWLH-MASHWEEQSA-N 0 3 234.299 3.212 20 0 BGADHN CC/C=C\CN[C@@H](C)c1ccccc1F ZINC000384709910 367718927 /nfs/dbraw/zinc/71/89/27/367718927.db2.gz DDFYVHDRUYQADO-IBHLPDHGSA-N 0 3 207.292 3.443 20 0 BGADHN CC/C=C\CN[C@H](C)c1ccccc1F ZINC000384709911 367718991 /nfs/dbraw/zinc/71/89/91/367718991.db2.gz DDFYVHDRUYQADO-MEQVVJDKSA-N 0 3 207.292 3.443 20 0 BGADHN CC/C=C/CN[C@H](C)c1ccccc1F ZINC000384709913 367719471 /nfs/dbraw/zinc/71/94/71/367719471.db2.gz DDFYVHDRUYQADO-TZOMUSMUSA-N 0 3 207.292 3.443 20 0 BGADHN CC/C=C/CN[C@@H](C)c1ccccc1F ZINC000384709921 367719206 /nfs/dbraw/zinc/71/92/06/367719206.db2.gz DDFYVHDRUYQADO-ZPMKCOPCSA-N 0 3 207.292 3.443 20 0 BGADHN C/C=C\CNCc1ccc(C(F)F)cc1 ZINC000384710554 367718903 /nfs/dbraw/zinc/71/89/03/367718903.db2.gz DILRNMVPQQZQIE-IHWYPQMZSA-N 0 3 211.255 3.290 20 0 BGADHN C/C=C/CNCc1ccc(C(F)F)cc1 ZINC000384710559 367718893 /nfs/dbraw/zinc/71/88/93/367718893.db2.gz DILRNMVPQQZQIE-NSCUHMNNSA-N 0 3 211.255 3.290 20 0 BGADHN C/C=C\CNCc1ccccc1OC(C)C ZINC000384713500 343960018 /nfs/dbraw/zinc/96/00/18/343960018.db2.gz FEDLAIASBIWRMQ-PLNGDYQASA-N 0 3 219.328 3.140 20 0 BGADHN C/C=C/CNCc1ccccc1OC(C)C ZINC000384713505 343959719 /nfs/dbraw/zinc/95/97/19/343959719.db2.gz FEDLAIASBIWRMQ-SNAWJCMRSA-N 0 3 219.328 3.140 20 0 BGADHN CC/C=C\CNCc1c[nH]nc1-c1cccs1 ZINC000384716286 367720373 /nfs/dbraw/zinc/72/03/73/367720373.db2.gz FXPAPNBXKFWTKU-ARJAWSKDSA-N 0 3 247.367 3.194 20 0 BGADHN CC/C=C/CNCc1c[nH]nc1-c1cccs1 ZINC000384716287 367721070 /nfs/dbraw/zinc/72/10/70/367721070.db2.gz FXPAPNBXKFWTKU-ONEGZZNKSA-N 0 3 247.367 3.194 20 0 BGADHN CC/C=C/CNCc1c(C)nc2sc(C)cn12 ZINC000384717289 398103730 /nfs/dbraw/zinc/10/37/30/398103730.db2.gz GEUHUKYUUJUJNV-AATRIKPKSA-N 0 3 249.383 3.068 20 0 BGADHN CC/C=C\CNCc1c(C)nc2sc(C)cn12 ZINC000384717292 398103652 /nfs/dbraw/zinc/10/36/52/398103652.db2.gz GEUHUKYUUJUJNV-WAYWQWQTSA-N 0 3 249.383 3.068 20 0 BGADHN C/C=C\CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000384717294 356730491 /nfs/dbraw/zinc/73/04/91/356730491.db2.gz GEWJLLUCBPPHTE-DOGVGXBMSA-N 0 3 234.299 3.130 20 0 BGADHN C/C=C/CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000384717295 356730361 /nfs/dbraw/zinc/73/03/61/356730361.db2.gz GEWJLLUCBPPHTE-SGUJLRQBSA-N 0 3 234.299 3.130 20 0 BGADHN C/C=C\CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000384717297 356730849 /nfs/dbraw/zinc/73/08/49/356730849.db2.gz GEWJLLUCBPPHTE-WYGGZMRJSA-N 0 3 234.299 3.130 20 0 BGADHN C/C=C/CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000384717298 356730712 /nfs/dbraw/zinc/73/07/12/356730712.db2.gz GEWJLLUCBPPHTE-ZWNMCFTASA-N 0 3 234.299 3.130 20 0 BGADHN C/C=C\CN[C@@H]1CCCc2ccc(OC)cc21 ZINC000384718721 343960413 /nfs/dbraw/zinc/96/04/13/343960413.db2.gz GQJXQORFRVTDRA-ABCZVMIZSA-N 0 3 231.339 3.238 20 0 BGADHN C/C=C/CN[C@H]1CCCc2ccc(OC)cc21 ZINC000384718722 343960508 /nfs/dbraw/zinc/96/05/08/343960508.db2.gz GQJXQORFRVTDRA-BWPKMQGJSA-N 0 3 231.339 3.238 20 0 BGADHN C/C=C\CN[C@H]1CCCc2ccc(OC)cc21 ZINC000384718723 343960397 /nfs/dbraw/zinc/96/03/97/343960397.db2.gz GQJXQORFRVTDRA-JZIMQPMSSA-N 0 3 231.339 3.238 20 0 BGADHN C/C=C/CN[C@@H]1CCCc2ccc(OC)cc21 ZINC000384718724 343960341 /nfs/dbraw/zinc/96/03/41/343960341.db2.gz GQJXQORFRVTDRA-NHZBNJEXSA-N 0 3 231.339 3.238 20 0 BGADHN CC/C=C\CN[C@H](C)c1cccc(O)c1 ZINC000384719261 367720961 /nfs/dbraw/zinc/72/09/61/367720961.db2.gz GUMDBZHMKQRSMK-DOGVGXBMSA-N 0 3 205.301 3.009 20 0 BGADHN CC/C=C\CN[C@@H](C)c1cccc(O)c1 ZINC000384719262 367721241 /nfs/dbraw/zinc/72/12/41/367721241.db2.gz GUMDBZHMKQRSMK-WYGGZMRJSA-N 0 3 205.301 3.009 20 0 BGADHN CC/C=C\CNCc1ccc(F)c(C)c1 ZINC000384721584 367720791 /nfs/dbraw/zinc/72/07/91/367720791.db2.gz HIXKTXZJEQNYCX-PLNGDYQASA-N 0 3 207.292 3.190 20 0 BGADHN CC/C=C/CNCc1ccc(F)c(C)c1 ZINC000384721585 367720534 /nfs/dbraw/zinc/72/05/34/367720534.db2.gz HIXKTXZJEQNYCX-SNAWJCMRSA-N 0 3 207.292 3.190 20 0 BGADHN COc1ncccc1CN[C@H](C)CC(C)(C)C ZINC000384721846 367720215 /nfs/dbraw/zinc/72/02/15/367720215.db2.gz IKKIKAGPZLROKR-LLVKDONJSA-N 0 3 236.359 3.005 20 0 BGADHN C/C=C/CN[C@H]1CCc2cc(Cl)ccc21 ZINC000384721998 344000547 /nfs/dbraw/zinc/00/05/47/344000547.db2.gz HKYSXLAOKFZIKQ-IBUXWKBASA-N 0 3 221.731 3.493 20 0 BGADHN C/C=C\CN[C@@H]1CCc2cc(Cl)ccc21 ZINC000384722000 344000608 /nfs/dbraw/zinc/00/06/08/344000608.db2.gz HKYSXLAOKFZIKQ-XQJDBVBESA-N 0 3 221.731 3.493 20 0 BGADHN C/C=C/CN[C@@H]1CCc2cc(Cl)ccc21 ZINC000384722001 350490894 /nfs/dbraw/zinc/49/08/94/350490894.db2.gz HKYSXLAOKFZIKQ-YWVDXFKGSA-N 0 3 221.731 3.493 20 0 BGADHN C/C=C\CN[C@H]1CCc2cc(Cl)ccc21 ZINC000384722002 350490854 /nfs/dbraw/zinc/49/08/54/350490854.db2.gz HKYSXLAOKFZIKQ-ZRMMWKCHSA-N 0 3 221.731 3.493 20 0 BGADHN COc1ncccc1CN[C@@H](C)CC(C)(C)C ZINC000384722192 367721084 /nfs/dbraw/zinc/72/10/84/367721084.db2.gz IKKIKAGPZLROKR-NSHDSACASA-N 0 3 236.359 3.005 20 0 BGADHN CC/C=C\CNCc1ccccc1OC(F)F ZINC000384722996 367720228 /nfs/dbraw/zinc/72/02/28/367720228.db2.gz HPLMANWCMFSCGH-UTCJRWHESA-N 0 3 241.281 3.344 20 0 BGADHN CC/C=C/CNCc1ccccc1OC(F)F ZINC000384722997 367720175 /nfs/dbraw/zinc/72/01/75/367720175.db2.gz HPLMANWCMFSCGH-ZZXKWVIFSA-N 0 3 241.281 3.344 20 0 BGADHN CC/C=C\CNCc1ccc(F)cc1C ZINC000384731218 367721815 /nfs/dbraw/zinc/72/18/15/367721815.db2.gz JPMSCPTUBUXXCU-PLNGDYQASA-N 0 3 207.292 3.190 20 0 BGADHN CC/C=C/CNCc1ccc(F)cc1C ZINC000384731220 367722737 /nfs/dbraw/zinc/72/27/37/367722737.db2.gz JPMSCPTUBUXXCU-SNAWJCMRSA-N 0 3 207.292 3.190 20 0 BGADHN C/C=C/CNCc1ccc(OCCC)cc1 ZINC000384733649 487834062 /nfs/dbraw/zinc/83/40/62/487834062.db2.gz KGLVIHOTXBZAAY-HWKANZROSA-N 0 3 219.328 3.141 20 0 BGADHN C/C=C\CNCc1ccc(OCCC)cc1 ZINC000384733652 487834122 /nfs/dbraw/zinc/83/41/22/487834122.db2.gz KGLVIHOTXBZAAY-HYXAFXHYSA-N 0 3 219.328 3.141 20 0 BGADHN C/C=C\CNCc1cccc(OC(F)(F)F)c1 ZINC000384734935 491125196 /nfs/dbraw/zinc/12/51/96/491125196.db2.gz BWIKHVDVJYTVFS-IHWYPQMZSA-N 0 3 245.244 3.251 20 0 BGADHN C/C=C/CNCc1cccc(OC(F)(F)F)c1 ZINC000384734938 491125206 /nfs/dbraw/zinc/12/52/06/491125206.db2.gz BWIKHVDVJYTVFS-NSCUHMNNSA-N 0 3 245.244 3.251 20 0 BGADHN CC[C@H](N[C@@H]1C[C@H](C)O[C@@H]1C)c1ccsc1 ZINC000384739471 566295056 /nfs/dbraw/zinc/29/50/56/566295056.db2.gz LBTDBAQGGFLPHV-JULQROHOSA-N 0 3 239.384 3.355 20 0 BGADHN CC[C@H](N[C@@H]1C[C@@H](C)O[C@H]1C)c1ccsc1 ZINC000384739483 367725568 /nfs/dbraw/zinc/72/55/68/367725568.db2.gz LBTDBAQGGFLPHV-RSLMWUCJSA-N 0 3 239.384 3.355 20 0 BGADHN CC[C@H](N[C@@H]1C[C@@H](C)O[C@@H]1C)c1ccsc1 ZINC000384739485 367725266 /nfs/dbraw/zinc/72/52/66/367725266.db2.gz LBTDBAQGGFLPHV-VCDKRKBESA-N 0 3 239.384 3.355 20 0 BGADHN CC[C@H](N[C@@H]1C[C@H](C)O[C@H]1C)c1ccsc1 ZINC000384739487 491125267 /nfs/dbraw/zinc/12/52/67/491125267.db2.gz LBTDBAQGGFLPHV-XRRVDJEJSA-N 0 3 239.384 3.355 20 0 BGADHN C/C=C\CNCc1cccc2c1OC(C)(C)C2 ZINC000384741623 367724589 /nfs/dbraw/zinc/72/45/89/367724589.db2.gz LZUGHVRTEKJSAA-PLNGDYQASA-N 0 3 231.339 3.066 20 0 BGADHN C/C=C/CNCc1cccc2c1OC(C)(C)C2 ZINC000384741624 367725653 /nfs/dbraw/zinc/72/56/53/367725653.db2.gz LZUGHVRTEKJSAA-SNAWJCMRSA-N 0 3 231.339 3.066 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2C[C@@H](C)O[C@H]2C)cs1 ZINC000384747611 344088113 /nfs/dbraw/zinc/08/81/13/344088113.db2.gz MHJDCIFUPVJTED-HFHAKLMTSA-N 0 3 239.384 3.273 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2C[C@@H](C)O[C@@H]2C)cs1 ZINC000384747612 344088270 /nfs/dbraw/zinc/08/82/70/344088270.db2.gz MHJDCIFUPVJTED-IHXVIFPJSA-N 0 3 239.384 3.273 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2C[C@H](C)O[C@H]2C)cs1 ZINC000384747613 367726592 /nfs/dbraw/zinc/72/65/92/367726592.db2.gz MHJDCIFUPVJTED-KYVBTAMFSA-N 0 3 239.384 3.273 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2C[C@H](C)O[C@@H]2C)cs1 ZINC000384747614 344088325 /nfs/dbraw/zinc/08/83/25/344088325.db2.gz MHJDCIFUPVJTED-MVVXRAEJSA-N 0 3 239.384 3.273 20 0 BGADHN CC/C=C\CN[C@@H](C)c1ccc(F)c(OC)c1 ZINC000384750210 367726175 /nfs/dbraw/zinc/72/61/75/367726175.db2.gz OAIYHPIUFYNOHH-GZTOBOFZSA-N 0 3 237.318 3.451 20 0 BGADHN CC/C=C\CN[C@H](C)c1ccc(F)c(OC)c1 ZINC000384750213 367726672 /nfs/dbraw/zinc/72/66/72/367726672.db2.gz OAIYHPIUFYNOHH-ISALQUGTSA-N 0 3 237.318 3.451 20 0 BGADHN CC/C=C/CN[C@H](C)c1ccc(F)c(OC)c1 ZINC000384750215 367726039 /nfs/dbraw/zinc/72/60/39/367726039.db2.gz OAIYHPIUFYNOHH-MVIFTORASA-N 0 3 237.318 3.451 20 0 BGADHN CC/C=C/CN[C@@H](C)c1ccc(F)c(OC)c1 ZINC000384750216 367726555 /nfs/dbraw/zinc/72/65/55/367726555.db2.gz OAIYHPIUFYNOHH-QRGHLMKCSA-N 0 3 237.318 3.451 20 0 BGADHN CC/C=C\CN[C@H](C)c1cccc(F)c1 ZINC000384751295 367726780 /nfs/dbraw/zinc/72/67/80/367726780.db2.gz OJHXMUVHONAWTG-DOGVGXBMSA-N 0 3 207.292 3.443 20 0 BGADHN CC/C=C/CN[C@H](C)c1cccc(F)c1 ZINC000384751299 367726576 /nfs/dbraw/zinc/72/65/76/367726576.db2.gz OJHXMUVHONAWTG-SGUJLRQBSA-N 0 3 207.292 3.443 20 0 BGADHN CC/C=C\CN[C@@H](C)c1cccc(F)c1 ZINC000384751303 367726714 /nfs/dbraw/zinc/72/67/14/367726714.db2.gz OJHXMUVHONAWTG-WYGGZMRJSA-N 0 3 207.292 3.443 20 0 BGADHN CC/C=C/CN[C@@H](C)c1cccc(F)c1 ZINC000384751310 367726274 /nfs/dbraw/zinc/72/62/74/367726274.db2.gz OJHXMUVHONAWTG-ZWNMCFTASA-N 0 3 207.292 3.443 20 0 BGADHN C/C=C\CNCc1cc2cccc(OC)c2o1 ZINC000384754827 710995702 /nfs/dbraw/zinc/99/57/02/710995702.db2.gz OXUNFTYLCDGVHD-ARJAWSKDSA-N 0 3 231.295 3.107 20 0 BGADHN C/C=C/CNCc1cc2cccc(OC)c2o1 ZINC000384754828 710996017 /nfs/dbraw/zinc/99/60/17/710996017.db2.gz OXUNFTYLCDGVHD-ONEGZZNKSA-N 0 3 231.295 3.107 20 0 BGADHN CC/C=C\CNCc1ccc(C)c(F)c1 ZINC000384757283 367727521 /nfs/dbraw/zinc/72/75/21/367727521.db2.gz PMNCEIJBCPRQDE-PLNGDYQASA-N 0 3 207.292 3.190 20 0 BGADHN CC/C=C/CNCc1ccc(C)c(F)c1 ZINC000384757284 367727666 /nfs/dbraw/zinc/72/76/66/367727666.db2.gz PMNCEIJBCPRQDE-SNAWJCMRSA-N 0 3 207.292 3.190 20 0 BGADHN CC/C=C\CN[C@@H](C)c1ccc(OC)c(F)c1 ZINC000384758660 367727669 /nfs/dbraw/zinc/72/76/69/367727669.db2.gz PRXKZSYEFNJBQU-GZTOBOFZSA-N 0 3 237.318 3.451 20 0 BGADHN CC/C=C\CN[C@H](C)c1ccc(OC)c(F)c1 ZINC000384758662 367727659 /nfs/dbraw/zinc/72/76/59/367727659.db2.gz PRXKZSYEFNJBQU-ISALQUGTSA-N 0 3 237.318 3.451 20 0 BGADHN CC/C=C/CN[C@H](C)c1ccc(OC)c(F)c1 ZINC000384758663 367726994 /nfs/dbraw/zinc/72/69/94/367726994.db2.gz PRXKZSYEFNJBQU-MVIFTORASA-N 0 3 237.318 3.451 20 0 BGADHN CC/C=C/CN[C@@H](C)c1ccc(OC)c(F)c1 ZINC000384758664 367727568 /nfs/dbraw/zinc/72/75/68/367727568.db2.gz PRXKZSYEFNJBQU-QRGHLMKCSA-N 0 3 237.318 3.451 20 0 BGADHN CC/C=C\CN[C@@H](C)c1ccc(OC)cc1F ZINC000384759229 367727480 /nfs/dbraw/zinc/72/74/80/367727480.db2.gz PUIZOMKQAOVHAE-GZTOBOFZSA-N 0 3 237.318 3.451 20 0 BGADHN CC/C=C\CN[C@H](C)c1ccc(OC)cc1F ZINC000384759231 367727326 /nfs/dbraw/zinc/72/73/26/367727326.db2.gz PUIZOMKQAOVHAE-ISALQUGTSA-N 0 3 237.318 3.451 20 0 BGADHN CC/C=C/CN[C@H](C)c1ccc(OC)cc1F ZINC000384759232 367727625 /nfs/dbraw/zinc/72/76/25/367727625.db2.gz PUIZOMKQAOVHAE-MVIFTORASA-N 0 3 237.318 3.451 20 0 BGADHN CC/C=C/CN[C@@H](C)c1ccc(OC)cc1F ZINC000384759234 367727236 /nfs/dbraw/zinc/72/72/36/367727236.db2.gz PUIZOMKQAOVHAE-QRGHLMKCSA-N 0 3 237.318 3.451 20 0 BGADHN CC/C=C\CNCc1c[nH]nc1-c1ccc(C)o1 ZINC000384760133 367727140 /nfs/dbraw/zinc/72/71/40/367727140.db2.gz AIIGPXMGNNXFMJ-PLNGDYQASA-N 0 3 245.326 3.034 20 0 BGADHN CC/C=C/CNCc1c[nH]nc1-c1ccc(C)o1 ZINC000384760134 367727472 /nfs/dbraw/zinc/72/74/72/367727472.db2.gz AIIGPXMGNNXFMJ-SNAWJCMRSA-N 0 3 245.326 3.034 20 0 BGADHN Cc1nc(CN[C@H](C)CC(C)(C)C)cs1 ZINC000384761823 367727370 /nfs/dbraw/zinc/72/73/70/367727370.db2.gz OESJTJVFZUGQEB-SECBINFHSA-N 0 3 226.389 3.366 20 0 BGADHN Cc1nc(CN[C@@H](C)CC(C)(C)C)cs1 ZINC000384761824 367727341 /nfs/dbraw/zinc/72/73/41/367727341.db2.gz OESJTJVFZUGQEB-VIFPVBQESA-N 0 3 226.389 3.366 20 0 BGADHN CC/C=C\CN[C@H]1CCCc2occc21 ZINC000384762246 367727645 /nfs/dbraw/zinc/72/76/45/367727645.db2.gz QIYKZUJJQSJYBO-MVZIDQBPSA-N 0 3 205.301 3.213 20 0 BGADHN CC/C=C\CN[C@@H]1CCCc2occc21 ZINC000384762248 367726971 /nfs/dbraw/zinc/72/69/71/367726971.db2.gz QIYKZUJJQSJYBO-VSQXVHSFSA-N 0 3 205.301 3.213 20 0 BGADHN CC/C=C\CNCc1ccc2ncccc2c1 ZINC000384762749 367727541 /nfs/dbraw/zinc/72/75/41/367727541.db2.gz AOSXDAUHHGBRHX-ARJAWSKDSA-N 0 3 226.323 3.291 20 0 BGADHN C/C=C\CN[C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000384765066 356743046 /nfs/dbraw/zinc/74/30/46/356743046.db2.gz BBMROIYLBINRMO-DHCBQETCSA-N 0 3 241.338 3.099 20 0 BGADHN C/C=C/CN[C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000384765072 356742766 /nfs/dbraw/zinc/74/27/66/356742766.db2.gz BBMROIYLBINRMO-ITDFMYJTSA-N 0 3 241.338 3.099 20 0 BGADHN C/C=C/CN[C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000384765075 356742757 /nfs/dbraw/zinc/74/27/57/356742757.db2.gz BBMROIYLBINRMO-OOPCZODUSA-N 0 3 241.338 3.099 20 0 BGADHN C/C=C\CN[C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000384765078 356742812 /nfs/dbraw/zinc/74/28/12/356742812.db2.gz BBMROIYLBINRMO-SCOBNMCVSA-N 0 3 241.338 3.099 20 0 BGADHN C/C=C\CNCc1cc(Cl)ccc1OC ZINC000384768898 710957217 /nfs/dbraw/zinc/95/72/17/710957217.db2.gz RKZRLRFOAQYTOW-ARJAWSKDSA-N 0 3 225.719 3.014 20 0 BGADHN C/C=C/CNCc1cc(Cl)ccc1OC ZINC000384768918 710957635 /nfs/dbraw/zinc/95/76/35/710957635.db2.gz RKZRLRFOAQYTOW-ONEGZZNKSA-N 0 3 225.719 3.014 20 0 BGADHN C/C=C\CNCc1c(C)oc2ccccc21 ZINC000384769412 344109957 /nfs/dbraw/zinc/10/99/57/344109957.db2.gz RNKGQRAWNLAHRR-ARJAWSKDSA-N 0 3 215.296 3.407 20 0 BGADHN C/C=C/CNCc1c(C)oc2ccccc21 ZINC000384769415 344110078 /nfs/dbraw/zinc/11/00/78/344110078.db2.gz RNKGQRAWNLAHRR-ONEGZZNKSA-N 0 3 215.296 3.407 20 0 BGADHN C/C=C/CNCc1cnc(C(C)(C)C)s1 ZINC000384779601 344120966 /nfs/dbraw/zinc/12/09/66/344120966.db2.gz TXNBGSWWWYGNHL-AATRIKPKSA-N 0 3 224.373 3.106 20 0 BGADHN C/C=C\CNCc1cnc(C(C)(C)C)s1 ZINC000384779648 367731560 /nfs/dbraw/zinc/73/15/60/367731560.db2.gz TXNBGSWWWYGNHL-WAYWQWQTSA-N 0 3 224.373 3.106 20 0 BGADHN C/C=C\CN[C@H]1CCSc2ccccc21 ZINC000384784131 344133208 /nfs/dbraw/zinc/13/32/08/344133208.db2.gz UMMIWGYJGSZNCS-DLGQBQFBSA-N 0 3 219.353 3.389 20 0 BGADHN C/C=C/CN[C@H]1CCSc2ccccc21 ZINC000384784133 344133211 /nfs/dbraw/zinc/13/32/11/344133211.db2.gz UMMIWGYJGSZNCS-JDGPPOGSSA-N 0 3 219.353 3.389 20 0 BGADHN C/C=C/CN[C@@H]1CCSc2ccccc21 ZINC000384784136 344133283 /nfs/dbraw/zinc/13/32/83/344133283.db2.gz UMMIWGYJGSZNCS-QAVQXKDTSA-N 0 3 219.353 3.389 20 0 BGADHN C/C=C\CN[C@@H]1CCSc2ccccc21 ZINC000384784139 344133214 /nfs/dbraw/zinc/13/32/14/344133214.db2.gz UMMIWGYJGSZNCS-ZZKXABKFSA-N 0 3 219.353 3.389 20 0 BGADHN CC/C=C/CNC/C=C/c1ccccc1 ZINC000384784919 367731820 /nfs/dbraw/zinc/73/18/20/367731820.db2.gz UONVXAJAFCYMMC-AIOATUJDSA-N 0 3 201.313 3.256 20 0 BGADHN CC/C=C\CNC/C=C\c1ccccc1 ZINC000384784920 367731158 /nfs/dbraw/zinc/73/11/58/367731158.db2.gz UONVXAJAFCYMMC-FOTFMCMHSA-N 0 3 201.313 3.256 20 0 BGADHN CC/C=C/CNC/C=C\c1ccccc1 ZINC000384784921 350526075 /nfs/dbraw/zinc/52/60/75/350526075.db2.gz UONVXAJAFCYMMC-LQIFBPRTSA-N 0 3 201.313 3.256 20 0 BGADHN CC/C=C\CNC/C=C/c1ccccc1 ZINC000384784922 350526923 /nfs/dbraw/zinc/52/69/23/350526923.db2.gz UONVXAJAFCYMMC-MYODQMKGSA-N 0 3 201.313 3.256 20 0 BGADHN CC/C=C/CN[C@@H]1CCc2ccccc21 ZINC000384791075 367732905 /nfs/dbraw/zinc/73/29/05/367732905.db2.gz VOBCKLIXHIUXML-BOTMBNHJSA-N 0 3 201.313 3.230 20 0 BGADHN CC/C=C\CN[C@@H]1CCc2ccccc21 ZINC000384791079 367733438 /nfs/dbraw/zinc/73/34/38/367733438.db2.gz VOBCKLIXHIUXML-JHAQOBCDSA-N 0 3 201.313 3.230 20 0 BGADHN CC/C=C\CN[C@H]1CCc2ccccc21 ZINC000384791080 367732666 /nfs/dbraw/zinc/73/26/66/367732666.db2.gz VOBCKLIXHIUXML-XSHSDMCLSA-N 0 3 201.313 3.230 20 0 BGADHN CC/C=C/CN[C@H]1CCc2ccccc21 ZINC000384791083 367733428 /nfs/dbraw/zinc/73/34/28/367733428.db2.gz VOBCKLIXHIUXML-ZRFDWSJLSA-N 0 3 201.313 3.230 20 0 BGADHN CC/C=C\CNCc1cc(C)ccc1F ZINC000384793548 367732318 /nfs/dbraw/zinc/73/23/18/367732318.db2.gz VZJQHSXUOKMFEM-PLNGDYQASA-N 0 3 207.292 3.190 20 0 BGADHN CC/C=C/CNCc1cc(C)ccc1F ZINC000384793550 367732339 /nfs/dbraw/zinc/73/23/39/367732339.db2.gz VZJQHSXUOKMFEM-SNAWJCMRSA-N 0 3 207.292 3.190 20 0 BGADHN C/C=C\CNCc1cccc(OC(C)C)c1 ZINC000384797106 344152500 /nfs/dbraw/zinc/15/25/00/344152500.db2.gz XAJRXCVALXXORU-PLNGDYQASA-N 0 3 219.328 3.140 20 0 BGADHN C/C=C/CNCc1cccc(OC(C)C)c1 ZINC000384797108 344152595 /nfs/dbraw/zinc/15/25/95/344152595.db2.gz XAJRXCVALXXORU-SNAWJCMRSA-N 0 3 219.328 3.140 20 0 BGADHN C/C=C/CN[C@H](C)c1ccc(C)cc1OC ZINC000384801688 344162959 /nfs/dbraw/zinc/16/29/59/344162959.db2.gz YEVVPRGAQIBNJV-BTDICHCPSA-N 0 3 219.328 3.230 20 0 BGADHN C/C=C\CN[C@@H](C)c1ccc(C)cc1OC ZINC000384801689 344162913 /nfs/dbraw/zinc/16/29/13/344162913.db2.gz YEVVPRGAQIBNJV-FJOGCWAESA-N 0 3 219.328 3.230 20 0 BGADHN C/C=C\CN[C@H](C)c1ccc(C)cc1OC ZINC000384801690 350537237 /nfs/dbraw/zinc/53/72/37/350537237.db2.gz YEVVPRGAQIBNJV-FOQNGQEVSA-N 0 3 219.328 3.230 20 0 BGADHN C/C=C/CN[C@@H](C)c1ccc(C)cc1OC ZINC000384801691 350537148 /nfs/dbraw/zinc/53/71/48/350537148.db2.gz YEVVPRGAQIBNJV-FYJFLYSWSA-N 0 3 219.328 3.230 20 0 BGADHN C/C=C/CN[C@H](C)c1cc(F)cc(F)c1 ZINC000384801795 344162763 /nfs/dbraw/zinc/16/27/63/344162763.db2.gz YGXGJCVBMFMSCN-CDAZIORVSA-N 0 3 211.255 3.192 20 0 BGADHN C/C=C/CN[C@@H](C)c1cc(F)cc(F)c1 ZINC000384801798 344162939 /nfs/dbraw/zinc/16/29/39/344162939.db2.gz YGXGJCVBMFMSCN-NWALNABHSA-N 0 3 211.255 3.192 20 0 BGADHN C/C=C\CN[C@@H](C)c1cc(F)cc(F)c1 ZINC000384801799 344162801 /nfs/dbraw/zinc/16/28/01/344162801.db2.gz YGXGJCVBMFMSCN-TYRPZCRBSA-N 0 3 211.255 3.192 20 0 BGADHN C/C=C\CN[C@H](C)c1cc(F)cc(F)c1 ZINC000384801801 350537231 /nfs/dbraw/zinc/53/72/31/350537231.db2.gz YGXGJCVBMFMSCN-ZBJFTSOASA-N 0 3 211.255 3.192 20 0 BGADHN C/C=C\CN[C@@H](C)c1ccc(OC)cc1F ZINC000384805868 344162831 /nfs/dbraw/zinc/16/28/31/344162831.db2.gz ZNFGEAUJXJOCEB-LWTINBJPSA-N 0 3 223.291 3.061 20 0 BGADHN C/C=C/CN[C@H](C)c1ccc(OC)cc1F ZINC000384805869 344162881 /nfs/dbraw/zinc/16/28/81/344162881.db2.gz ZNFGEAUJXJOCEB-ORAHPGNNSA-N 0 3 223.291 3.061 20 0 BGADHN C/C=C\CN[C@H](C)c1ccc(OC)cc1F ZINC000384805870 344162943 /nfs/dbraw/zinc/16/29/43/344162943.db2.gz ZNFGEAUJXJOCEB-UMCURTJPSA-N 0 3 223.291 3.061 20 0 BGADHN C/C=C/CN[C@@H](C)c1ccc(OC)cc1F ZINC000384805871 344162929 /nfs/dbraw/zinc/16/29/29/344162929.db2.gz ZNFGEAUJXJOCEB-YEZKRMTDSA-N 0 3 223.291 3.061 20 0 BGADHN C/C=C\CNCc1csc(Br)c1 ZINC000384830609 344169969 /nfs/dbraw/zinc/16/99/69/344169969.db2.gz GSXDAKJSVHHIFZ-IHWYPQMZSA-N 0 3 246.173 3.176 20 0 BGADHN C/C=C/CNCc1csc(Br)c1 ZINC000384830610 344169937 /nfs/dbraw/zinc/16/99/37/344169937.db2.gz GSXDAKJSVHHIFZ-NSCUHMNNSA-N 0 3 246.173 3.176 20 0 BGADHN Cc1cscc1CNCc1ccncc1C ZINC000384837776 367740328 /nfs/dbraw/zinc/74/03/28/367740328.db2.gz HKQVMMZPPIGNSP-UHFFFAOYSA-N 0 3 232.352 3.050 20 0 BGADHN C/C=C\CN[C@H]1CCc2ccc(C)cc21 ZINC000384844316 367741341 /nfs/dbraw/zinc/74/13/41/367741341.db2.gz AISSJJCNBUYLPS-NQHOJNORSA-N 0 3 201.313 3.148 20 0 BGADHN C/C=C/CN[C@@H]1CCc2ccc(C)cc21 ZINC000384844322 344178751 /nfs/dbraw/zinc/17/87/51/344178751.db2.gz AISSJJCNBUYLPS-RDFMZFSFSA-N 0 3 201.313 3.148 20 0 BGADHN C/C=C\CN[C@@H]1CCc2ccc(C)cc21 ZINC000384844324 344178716 /nfs/dbraw/zinc/17/87/16/344178716.db2.gz AISSJJCNBUYLPS-VQTKUKTRSA-N 0 3 201.313 3.148 20 0 BGADHN C/C=C/CN[C@H]1CCc2ccc(C)cc21 ZINC000384844326 344178720 /nfs/dbraw/zinc/17/87/20/344178720.db2.gz AISSJJCNBUYLPS-XGACYXMMSA-N 0 3 201.313 3.148 20 0 BGADHN C/C=C\CNCc1ccccc1OC(F)(F)F ZINC000384850917 356777914 /nfs/dbraw/zinc/77/79/14/356777914.db2.gz KYERSOOAOSBOJL-IHWYPQMZSA-N 0 3 245.244 3.251 20 0 BGADHN C/C=C/CNCc1ccccc1OC(F)(F)F ZINC000384850918 356777370 /nfs/dbraw/zinc/77/73/70/356777370.db2.gz KYERSOOAOSBOJL-NSCUHMNNSA-N 0 3 245.244 3.251 20 0 BGADHN CC/C=C\CNCc1ccc(F)c(F)c1 ZINC000384853967 367744017 /nfs/dbraw/zinc/74/40/17/367744017.db2.gz LMKIORRZAIFNJZ-ARJAWSKDSA-N 0 3 211.255 3.021 20 0 BGADHN CC/C=C/CNCc1ccc(F)c(F)c1 ZINC000384853968 367744687 /nfs/dbraw/zinc/74/46/87/367744687.db2.gz LMKIORRZAIFNJZ-ONEGZZNKSA-N 0 3 211.255 3.021 20 0 BGADHN C/C=C\CNCc1cc(Cl)cs1 ZINC000384869548 712703772 /nfs/dbraw/zinc/70/37/72/712703772.db2.gz ONKGSSXISKGEEY-IHWYPQMZSA-N 0 3 201.722 3.067 20 0 BGADHN C/C=C/CNCc1cc(Cl)cs1 ZINC000384869551 712703785 /nfs/dbraw/zinc/70/37/85/712703785.db2.gz ONKGSSXISKGEEY-NSCUHMNNSA-N 0 3 201.722 3.067 20 0 BGADHN C/C=C\CNCc1ccc(C2CC2)cc1 ZINC000384870059 398114211 /nfs/dbraw/zinc/11/42/11/398114211.db2.gz GAUFIGMKESVJSS-IHWYPQMZSA-N 0 3 201.313 3.230 20 0 BGADHN C/C=C/CNCc1ccc(C2CC2)cc1 ZINC000384870064 344203261 /nfs/dbraw/zinc/20/32/61/344203261.db2.gz GAUFIGMKESVJSS-NSCUHMNNSA-N 0 3 201.313 3.230 20 0 BGADHN CC/C=C\CNCc1ccc(Cl)s1 ZINC000384877169 367748805 /nfs/dbraw/zinc/74/88/05/367748805.db2.gz HLDHFFQGYMNHBB-ARJAWSKDSA-N 0 3 215.749 3.457 20 0 BGADHN CC/C=C/CNCc1ccc(Cl)s1 ZINC000384877170 367748892 /nfs/dbraw/zinc/74/88/92/367748892.db2.gz HLDHFFQGYMNHBB-ONEGZZNKSA-N 0 3 215.749 3.457 20 0 BGADHN C/C=C\CNCc1ccc(OC(F)(F)F)cc1 ZINC000384882751 356789843 /nfs/dbraw/zinc/78/98/43/356789843.db2.gz RHDBEFZLKALDPB-IHWYPQMZSA-N 0 3 245.244 3.251 20 0 BGADHN C/C=C/CNCc1ccc(OC(F)(F)F)cc1 ZINC000384882753 356789614 /nfs/dbraw/zinc/78/96/14/356789614.db2.gz RHDBEFZLKALDPB-NSCUHMNNSA-N 0 3 245.244 3.251 20 0 BGADHN CC/C=C\CN[C@@H]1CCCc2ccc(O)cc21 ZINC000384895835 367753797 /nfs/dbraw/zinc/75/37/97/367753797.db2.gz MENVKNYAFOGDHC-ABCZVMIZSA-N 0 3 231.339 3.325 20 0 BGADHN CC/C=C/CN[C@H]1CCCc2ccc(O)cc21 ZINC000384895836 367753622 /nfs/dbraw/zinc/75/36/22/367753622.db2.gz MENVKNYAFOGDHC-BWPKMQGJSA-N 0 3 231.339 3.325 20 0 BGADHN CC/C=C\CN[C@H]1CCCc2ccc(O)cc21 ZINC000384895838 367753838 /nfs/dbraw/zinc/75/38/38/367753838.db2.gz MENVKNYAFOGDHC-JZIMQPMSSA-N 0 3 231.339 3.325 20 0 BGADHN CC/C=C/CN[C@@H]1CCCc2ccc(O)cc21 ZINC000384895839 367753533 /nfs/dbraw/zinc/75/35/33/367753533.db2.gz MENVKNYAFOGDHC-NHZBNJEXSA-N 0 3 231.339 3.325 20 0 BGADHN CC/C=C\CNCc1ccc(SC)cc1 ZINC000384896747 367753858 /nfs/dbraw/zinc/75/38/58/367753858.db2.gz VKAAILVWORQQKA-PLNGDYQASA-N 0 3 221.369 3.464 20 0 BGADHN CC/C=C/CNCc1ccc(SC)cc1 ZINC000384896750 367753550 /nfs/dbraw/zinc/75/35/50/367753550.db2.gz VKAAILVWORQQKA-SNAWJCMRSA-N 0 3 221.369 3.464 20 0 BGADHN CC/C=C\CN[C@H](C)c1sc(C)nc1C ZINC000384899801 367753986 /nfs/dbraw/zinc/75/39/86/367753986.db2.gz WIBAOBNMYCMKDQ-ATJFRQLMSA-N 0 3 224.373 3.377 20 0 BGADHN CC/C=C\CN[C@@H](C)c1sc(C)nc1C ZINC000384899802 367754094 /nfs/dbraw/zinc/75/40/94/367754094.db2.gz WIBAOBNMYCMKDQ-NMTCXDENSA-N 0 3 224.373 3.377 20 0 BGADHN CC(C)(CNCc1nccs1)C1CCC1 ZINC000384902343 398116255 /nfs/dbraw/zinc/11/62/55/398116255.db2.gz AUWPECWGKFGOOP-UHFFFAOYSA-N 0 3 224.373 3.059 20 0 BGADHN Cc1ccc(CNCC(C)(C)C2CCC2)nc1 ZINC000384911035 367755869 /nfs/dbraw/zinc/75/58/69/367755869.db2.gz DILJFRGZIZTXEB-UHFFFAOYSA-N 0 3 232.371 3.306 20 0 BGADHN C/C=C\CN[C@@H](CC)c1ccccc1F ZINC000384911466 350633456 /nfs/dbraw/zinc/63/34/56/350633456.db2.gz PXTFPYZMIRFKKC-DXTPNHAXSA-N 0 3 207.292 3.443 20 0 BGADHN C/C=C\CN[C@H](CC)c1ccccc1F ZINC000384911467 344233270 /nfs/dbraw/zinc/23/32/70/344233270.db2.gz PXTFPYZMIRFKKC-HSBHDXMMSA-N 0 3 207.292 3.443 20 0 BGADHN C/C=C/CN[C@@H](CC)c1ccccc1F ZINC000384911469 344232776 /nfs/dbraw/zinc/23/27/76/344232776.db2.gz PXTFPYZMIRFKKC-LQPUYASZSA-N 0 3 207.292 3.443 20 0 BGADHN C/C=C/CN[C@H](CC)c1ccccc1F ZINC000384911471 344232825 /nfs/dbraw/zinc/23/28/25/344232825.db2.gz PXTFPYZMIRFKKC-MASHWEEQSA-N 0 3 207.292 3.443 20 0 BGADHN CC/C=C\CNCc1cc(F)cc(F)c1 ZINC000384913887 367755654 /nfs/dbraw/zinc/75/56/54/367755654.db2.gz YVBJBYSQAVDEEU-ARJAWSKDSA-N 0 3 211.255 3.021 20 0 BGADHN CC/C=C/CNCc1cc(F)cc(F)c1 ZINC000384913888 367755833 /nfs/dbraw/zinc/75/58/33/367755833.db2.gz YVBJBYSQAVDEEU-ONEGZZNKSA-N 0 3 211.255 3.021 20 0 BGADHN Cc1noc(C)c1CNCC(C)(C)C1CCC1 ZINC000384915387 367756085 /nfs/dbraw/zinc/75/60/85/367756085.db2.gz FGGAEKPDPJLIAN-UHFFFAOYSA-N 0 3 236.359 3.207 20 0 BGADHN Cc1csc(CNCC(C)(C)C2CCC2)n1 ZINC000384920671 367757651 /nfs/dbraw/zinc/75/76/51/367757651.db2.gz GIIXAMTVKPRKLI-UHFFFAOYSA-N 0 3 238.400 3.367 20 0 BGADHN C[C@H](CC(C)(C)C)NCc1cscn1 ZINC000384929025 367759893 /nfs/dbraw/zinc/75/98/93/367759893.db2.gz SDRPBYCJQRMKRP-SECBINFHSA-N 0 3 212.362 3.057 20 0 BGADHN C[C@@H](CC(C)(C)C)NCc1cscn1 ZINC000384929026 367760189 /nfs/dbraw/zinc/76/01/89/367760189.db2.gz SDRPBYCJQRMKRP-VIFPVBQESA-N 0 3 212.362 3.057 20 0 BGADHN Cc1nc(CNCC(C)(C)C2CCC2)cs1 ZINC000384930855 367760082 /nfs/dbraw/zinc/76/00/82/367760082.db2.gz IIIHFPNBDACPRO-UHFFFAOYSA-N 0 3 238.400 3.367 20 0 BGADHN C/C=C\CNCc1cc(F)cc(Cl)c1 ZINC000384936919 344270568 /nfs/dbraw/zinc/27/05/68/344270568.db2.gz DNVONHNJEWEQDG-IHWYPQMZSA-N 0 3 213.683 3.145 20 0 BGADHN C/C=C/CNCc1cc(F)cc(Cl)c1 ZINC000384936925 344270584 /nfs/dbraw/zinc/27/05/84/344270584.db2.gz DNVONHNJEWEQDG-NSCUHMNNSA-N 0 3 213.683 3.145 20 0 BGADHN CC/C=C/CNCc1cc(C)c(O)c(C)c1 ZINC000384944358 367761665 /nfs/dbraw/zinc/76/16/65/367761665.db2.gz FGWUOSYPXLFAGK-AATRIKPKSA-N 0 3 219.328 3.065 20 0 BGADHN CC/C=C\CNCc1cc(C)c(O)c(C)c1 ZINC000384944368 367762046 /nfs/dbraw/zinc/76/20/46/367762046.db2.gz FGWUOSYPXLFAGK-WAYWQWQTSA-N 0 3 219.328 3.065 20 0 BGADHN C/C=C/CN[C@@H](CC)c1ccc(OC)c(OC)c1 ZINC000384955147 539012965 /nfs/dbraw/zinc/01/29/65/539012965.db2.gz GRBBWFZKPIRJRT-IYNGYCSASA-N 0 3 249.354 3.321 20 0 BGADHN C/C=C\CN[C@H](CC)c1ccc(OC)c(OC)c1 ZINC000384955150 539013196 /nfs/dbraw/zinc/01/31/96/539013196.db2.gz GRBBWFZKPIRJRT-SCXUMTSISA-N 0 3 249.354 3.321 20 0 BGADHN C/C=C\CN[C@@H](CC)c1ccc(OC)c(OC)c1 ZINC000384955161 539013037 /nfs/dbraw/zinc/01/30/37/539013037.db2.gz GRBBWFZKPIRJRT-VGVVRCBHSA-N 0 3 249.354 3.321 20 0 BGADHN C/C=C/CN[C@H](CC)c1ccc(OC)c(OC)c1 ZINC000384955162 539013023 /nfs/dbraw/zinc/01/30/23/539013023.db2.gz GRBBWFZKPIRJRT-VUDGCMKMSA-N 0 3 249.354 3.321 20 0 BGADHN CC/C=C\CNCc1cccc2cc[nH]c21 ZINC000384955382 367763709 /nfs/dbraw/zinc/76/37/09/367763709.db2.gz GRULZFKBDUYUAD-ARJAWSKDSA-N 0 3 214.312 3.224 20 0 BGADHN C/C=C\CNCc1cccc(C2CC2)c1 ZINC000384958120 344278121 /nfs/dbraw/zinc/27/81/21/344278121.db2.gz WHHSKDVCJLJGIY-IHWYPQMZSA-N 0 3 201.313 3.230 20 0 BGADHN C/C=C/CNCc1cccc(C2CC2)c1 ZINC000384958124 344278015 /nfs/dbraw/zinc/27/80/15/344278015.db2.gz WHHSKDVCJLJGIY-NSCUHMNNSA-N 0 3 201.313 3.230 20 0 BGADHN C/C=C\CN[C@@H]1C[C@H](C)c2ccccc21 ZINC000384961321 344279711 /nfs/dbraw/zinc/27/97/11/344279711.db2.gz WQLJARDVYBDIDM-FFIQWJHNSA-N 0 3 201.313 3.401 20 0 BGADHN C/C=C/CN[C@@H]1C[C@H](C)c2ccccc21 ZINC000384961326 344279471 /nfs/dbraw/zinc/27/94/71/344279471.db2.gz WQLJARDVYBDIDM-FSHFUFFASA-N 0 3 201.313 3.401 20 0 BGADHN C/C=C\CN[C@@H]1C[C@@H](C)c2ccccc21 ZINC000384961328 350678153 /nfs/dbraw/zinc/67/81/53/350678153.db2.gz WQLJARDVYBDIDM-LAPROLRISA-N 0 3 201.313 3.401 20 0 BGADHN C/C=C/CN[C@@H]1C[C@@H](C)c2ccccc21 ZINC000384961329 350677631 /nfs/dbraw/zinc/67/76/31/350677631.db2.gz WQLJARDVYBDIDM-UUSVCDRXSA-N 0 3 201.313 3.401 20 0 BGADHN CC/C=C\CN[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000384966779 367767000 /nfs/dbraw/zinc/76/70/00/367767000.db2.gz HYSXYRJIURZYDZ-DGMVEKRQSA-N 0 3 249.354 3.321 20 0 BGADHN CC/C=C\CN[C@H](C)c1ccc(OC)c(OC)c1 ZINC000384966785 367766042 /nfs/dbraw/zinc/76/60/42/367766042.db2.gz HYSXYRJIURZYDZ-ZHRWSRJISA-N 0 3 249.354 3.321 20 0 BGADHN C/C=C\CNCc1ccccc1C1CC1 ZINC000384977419 344283671 /nfs/dbraw/zinc/28/36/71/344283671.db2.gz YUALVXOLWCXDEI-IHWYPQMZSA-N 0 3 201.313 3.230 20 0 BGADHN C/C=C/CNCc1ccccc1C1CC1 ZINC000384977421 344283714 /nfs/dbraw/zinc/28/37/14/344283714.db2.gz YUALVXOLWCXDEI-NSCUHMNNSA-N 0 3 201.313 3.230 20 0 BGADHN C/C=C\CNCc1ccc(Cl)c(F)c1 ZINC000384978581 344282804 /nfs/dbraw/zinc/28/28/04/344282804.db2.gz JFNGCSWJTKECEL-IHWYPQMZSA-N 0 3 213.683 3.145 20 0 BGADHN C/C=C/CNCc1ccc(Cl)c(F)c1 ZINC000384978606 344282781 /nfs/dbraw/zinc/28/27/81/344282781.db2.gz JFNGCSWJTKECEL-NSCUHMNNSA-N 0 3 213.683 3.145 20 0 BGADHN CC/C=C/CN[C@H](CC)c1ccc(F)cn1 ZINC000384993666 367771039 /nfs/dbraw/zinc/77/10/39/367771039.db2.gz LAGNZWZQELFTGC-BTDICHCPSA-N 0 3 222.307 3.228 20 0 BGADHN CC/C=C\CN[C@@H](CC)c1ccc(F)cn1 ZINC000384993674 367771009 /nfs/dbraw/zinc/77/10/09/367771009.db2.gz LAGNZWZQELFTGC-FJOGCWAESA-N 0 3 222.307 3.228 20 0 BGADHN CC/C=C\CN[C@H](CC)c1ccc(F)cn1 ZINC000384993680 367770797 /nfs/dbraw/zinc/77/07/97/367770797.db2.gz LAGNZWZQELFTGC-FOQNGQEVSA-N 0 3 222.307 3.228 20 0 BGADHN CC/C=C/CN[C@@H](CC)c1ccc(F)cn1 ZINC000384993687 367771460 /nfs/dbraw/zinc/77/14/60/367771460.db2.gz LAGNZWZQELFTGC-FYJFLYSWSA-N 0 3 222.307 3.228 20 0 BGADHN CC/C=C\CNCc1coc2ccccc12 ZINC000384997523 367770922 /nfs/dbraw/zinc/77/09/22/367770922.db2.gz LMVRGDFIAZIVNP-UTCJRWHESA-N 0 3 215.296 3.489 20 0 BGADHN CC/C=C/CNCc1coc2ccccc12 ZINC000384997525 367771000 /nfs/dbraw/zinc/77/10/00/367771000.db2.gz LMVRGDFIAZIVNP-ZZXKWVIFSA-N 0 3 215.296 3.489 20 0 BGADHN CC/C=C\CN[C@@H](C)c1ccc(OC)cc1OC ZINC000385008087 367772467 /nfs/dbraw/zinc/77/24/67/367772467.db2.gz MXDABSHMDPZSPL-DGMVEKRQSA-N 0 3 249.354 3.321 20 0 BGADHN CC/C=C/CN[C@H](C)c1ccc(OC)cc1OC ZINC000385008088 367772526 /nfs/dbraw/zinc/77/25/26/367772526.db2.gz MXDABSHMDPZSPL-NNNHXZLVSA-N 0 3 249.354 3.321 20 0 BGADHN CC/C=C/CN[C@@H](C)c1ccc(OC)cc1OC ZINC000385008089 367772021 /nfs/dbraw/zinc/77/20/21/367772021.db2.gz MXDABSHMDPZSPL-SYTKJHMZSA-N 0 3 249.354 3.321 20 0 BGADHN CC/C=C\CN[C@H](C)c1ccc(OC)cc1OC ZINC000385008090 367772199 /nfs/dbraw/zinc/77/21/99/367772199.db2.gz MXDABSHMDPZSPL-ZHRWSRJISA-N 0 3 249.354 3.321 20 0 BGADHN CC(C)(CNCc1cscn1)C1CCC1 ZINC000385010307 367772890 /nfs/dbraw/zinc/77/28/90/367772890.db2.gz XQYJHQHVFBZBDJ-UHFFFAOYSA-N 0 3 224.373 3.059 20 0 BGADHN CC/C=C\CN[C@H]1CCc2cc(F)ccc21 ZINC000385016759 367774109 /nfs/dbraw/zinc/77/41/09/367774109.db2.gz NYAWQZIRWHPMEY-NQHOJNORSA-N 0 3 219.303 3.369 20 0 BGADHN CC/C=C/CN[C@@H]1CCc2cc(F)ccc21 ZINC000385016773 367774370 /nfs/dbraw/zinc/77/43/70/367774370.db2.gz NYAWQZIRWHPMEY-RDFMZFSFSA-N 0 3 219.303 3.369 20 0 BGADHN CC/C=C\CN[C@@H]1CCc2cc(F)ccc21 ZINC000385016774 367773745 /nfs/dbraw/zinc/77/37/45/367773745.db2.gz NYAWQZIRWHPMEY-VQTKUKTRSA-N 0 3 219.303 3.369 20 0 BGADHN CC/C=C/CN[C@H]1CCc2cc(F)ccc21 ZINC000385016775 367774065 /nfs/dbraw/zinc/77/40/65/367774065.db2.gz NYAWQZIRWHPMEY-XGACYXMMSA-N 0 3 219.303 3.369 20 0 BGADHN CC/C=C/CNCc1ccc(OCC)cc1 ZINC000385022598 367773959 /nfs/dbraw/zinc/77/39/59/367773959.db2.gz OQWQJVAZJIEAFC-AATRIKPKSA-N 0 3 219.328 3.141 20 0 BGADHN CC/C=C\CNCc1ccc(OCC)cc1 ZINC000385022601 367774144 /nfs/dbraw/zinc/77/41/44/367774144.db2.gz OQWQJVAZJIEAFC-WAYWQWQTSA-N 0 3 219.328 3.141 20 0 BGADHN CC/C=C\CN[C@H]1CCc2c1cccc2F ZINC000385030806 367775926 /nfs/dbraw/zinc/77/59/26/367775926.db2.gz PSEUULBUCDHBTP-NQHOJNORSA-N 0 3 219.303 3.369 20 0 BGADHN CC/C=C/CN[C@@H]1CCc2c1cccc2F ZINC000385030807 367775462 /nfs/dbraw/zinc/77/54/62/367775462.db2.gz PSEUULBUCDHBTP-RDFMZFSFSA-N 0 3 219.303 3.369 20 0 BGADHN CC/C=C\CN[C@@H]1CCc2c1cccc2F ZINC000385030808 367775693 /nfs/dbraw/zinc/77/56/93/367775693.db2.gz PSEUULBUCDHBTP-VQTKUKTRSA-N 0 3 219.303 3.369 20 0 BGADHN CC/C=C/CN[C@H]1CCc2c1cccc2F ZINC000385030809 367775479 /nfs/dbraw/zinc/77/54/79/367775479.db2.gz PSEUULBUCDHBTP-XGACYXMMSA-N 0 3 219.303 3.369 20 0 BGADHN CC/C=C/CN[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000385036559 367776685 /nfs/dbraw/zinc/77/66/85/367776685.db2.gz QQKMNNNDXNEVPJ-ITKZLYELSA-N 0 3 247.338 3.075 20 0 BGADHN CC/C=C\CN[C@H](C)c1ccc2c(c1)OCCO2 ZINC000385036561 367777890 /nfs/dbraw/zinc/77/78/90/367777890.db2.gz QQKMNNNDXNEVPJ-QMAVJUDZSA-N 0 3 247.338 3.075 20 0 BGADHN CC/C=C\CN[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000385036566 367776799 /nfs/dbraw/zinc/77/67/99/367776799.db2.gz QQKMNNNDXNEVPJ-RXNFCKPNSA-N 0 3 247.338 3.075 20 0 BGADHN CC/C=C/CN[C@H](C)c1ccc2c(c1)OCCO2 ZINC000385036567 367777583 /nfs/dbraw/zinc/77/75/83/367777583.db2.gz QQKMNNNDXNEVPJ-ZYOFXKKJSA-N 0 3 247.338 3.075 20 0 BGADHN CC/C=C/CN[C@H](C)c1ccc(OC)cc1 ZINC000385038336 367776847 /nfs/dbraw/zinc/77/68/47/367776847.db2.gz QVTWSBCQVNFJBR-BTDICHCPSA-N 0 3 219.328 3.312 20 0 BGADHN CC/C=C\CN[C@@H](C)c1ccc(OC)cc1 ZINC000385038339 367776648 /nfs/dbraw/zinc/77/66/48/367776648.db2.gz QVTWSBCQVNFJBR-FJOGCWAESA-N 0 3 219.328 3.312 20 0 BGADHN CC/C=C\CN[C@H](C)c1ccc(OC)cc1 ZINC000385038340 367777495 /nfs/dbraw/zinc/77/74/95/367777495.db2.gz QVTWSBCQVNFJBR-FOQNGQEVSA-N 0 3 219.328 3.312 20 0 BGADHN CC/C=C/CN[C@@H](C)c1ccc(OC)cc1 ZINC000385038341 367777057 /nfs/dbraw/zinc/77/70/57/367777057.db2.gz QVTWSBCQVNFJBR-FYJFLYSWSA-N 0 3 219.328 3.312 20 0 BGADHN CC/C=C/CNCc1cc(C)ccc1OC ZINC000385042790 367777013 /nfs/dbraw/zinc/77/70/13/367777013.db2.gz RLRINPFTKBNCHZ-AATRIKPKSA-N 0 3 219.328 3.059 20 0 BGADHN CC/C=C\CNCc1cc(C)ccc1OC ZINC000385042809 367779137 /nfs/dbraw/zinc/77/91/37/367779137.db2.gz RLRINPFTKBNCHZ-WAYWQWQTSA-N 0 3 219.328 3.059 20 0 BGADHN CC/C=C/CN[C@H](C)c1ccccc1OC ZINC000385050998 367780720 /nfs/dbraw/zinc/78/07/20/367780720.db2.gz SOSJLWKJWSNNNF-FZKGZDJFSA-N 0 3 219.328 3.312 20 0 BGADHN CC/C=C\CN[C@@H](C)c1ccccc1OC ZINC000385051000 367780844 /nfs/dbraw/zinc/78/08/44/367780844.db2.gz SOSJLWKJWSNNNF-JECSTDCCSA-N 0 3 219.328 3.312 20 0 BGADHN CC/C=C\CN[C@H](C)c1ccccc1OC ZINC000385051001 367780246 /nfs/dbraw/zinc/78/02/46/367780246.db2.gz SOSJLWKJWSNNNF-VVEJJEBESA-N 0 3 219.328 3.312 20 0 BGADHN CC/C=C/CN[C@@H](C)c1ccccc1OC ZINC000385051002 367780950 /nfs/dbraw/zinc/78/09/50/367780950.db2.gz SOSJLWKJWSNNNF-ZCRIDZFUSA-N 0 3 219.328 3.312 20 0 BGADHN CC/C=C\CNCc1ccc2cc[nH]c2c1 ZINC000385051665 344309942 /nfs/dbraw/zinc/30/99/42/344309942.db2.gz SSLIDCPUJHMNPN-ARJAWSKDSA-N 0 3 214.312 3.224 20 0 BGADHN CC/C=C/CNCc1ccc2cc[nH]c2c1 ZINC000385051666 344309945 /nfs/dbraw/zinc/30/99/45/344309945.db2.gz SSLIDCPUJHMNPN-ONEGZZNKSA-N 0 3 214.312 3.224 20 0 BGADHN CC/C=C\CN[C@@H](C)c1cc(OC)ccc1OC ZINC000385052740 367780435 /nfs/dbraw/zinc/78/04/35/367780435.db2.gz SWAXHJPIMJJVBZ-DGMVEKRQSA-N 0 3 249.354 3.321 20 0 BGADHN CC/C=C/CN[C@H](C)c1cc(OC)ccc1OC ZINC000385052741 367780138 /nfs/dbraw/zinc/78/01/38/367780138.db2.gz SWAXHJPIMJJVBZ-NNNHXZLVSA-N 0 3 249.354 3.321 20 0 BGADHN CC/C=C/CN[C@@H](C)c1cc(OC)ccc1OC ZINC000385052742 367780104 /nfs/dbraw/zinc/78/01/04/367780104.db2.gz SWAXHJPIMJJVBZ-SYTKJHMZSA-N 0 3 249.354 3.321 20 0 BGADHN CC/C=C\CN[C@H](C)c1cc(OC)ccc1OC ZINC000385052743 367780451 /nfs/dbraw/zinc/78/04/51/367780451.db2.gz SWAXHJPIMJJVBZ-ZHRWSRJISA-N 0 3 249.354 3.321 20 0 BGADHN CC/C=C\CN[C@@H](C)c1cccc(NC(C)=O)c1 ZINC000385058382 367780329 /nfs/dbraw/zinc/78/03/29/367780329.db2.gz UKRCKNLBFKGNTL-FJOGCWAESA-N 0 3 246.354 3.262 20 0 BGADHN CC/C=C\CN[C@H](C)c1cccc(NC(C)=O)c1 ZINC000385058383 367780469 /nfs/dbraw/zinc/78/04/69/367780469.db2.gz UKRCKNLBFKGNTL-FOQNGQEVSA-N 0 3 246.354 3.262 20 0 BGADHN CC/C=C\CN[C@@H]1CCCc2cccnc21 ZINC000385061840 398130154 /nfs/dbraw/zinc/13/01/54/398130154.db2.gz UVUZUIFQYLLLAC-DHCBQETCSA-N 0 3 216.328 3.015 20 0 BGADHN CC/C=C/CN[C@@H]1CCCc2cccnc21 ZINC000385061841 398130138 /nfs/dbraw/zinc/13/01/38/398130138.db2.gz UVUZUIFQYLLLAC-ITDFMYJTSA-N 0 3 216.328 3.015 20 0 BGADHN CC/C=C/CN[C@H]1CCCc2cccnc21 ZINC000385061842 398130073 /nfs/dbraw/zinc/13/00/73/398130073.db2.gz UVUZUIFQYLLLAC-OOPCZODUSA-N 0 3 216.328 3.015 20 0 BGADHN CC/C=C\CN[C@H]1CCCc2cccnc21 ZINC000385061844 398130160 /nfs/dbraw/zinc/13/01/60/398130160.db2.gz UVUZUIFQYLLLAC-SCOBNMCVSA-N 0 3 216.328 3.015 20 0 BGADHN CC/C=C/CNCc1cccc(OCC)c1 ZINC000385072066 367782938 /nfs/dbraw/zinc/78/29/38/367782938.db2.gz VTZZPJIDSSSSTB-AATRIKPKSA-N 0 3 219.328 3.141 20 0 BGADHN CC/C=C\CNCc1cccc(OCC)c1 ZINC000385072068 367782704 /nfs/dbraw/zinc/78/27/04/367782704.db2.gz VTZZPJIDSSSSTB-WAYWQWQTSA-N 0 3 219.328 3.141 20 0 BGADHN C[C@@H](N[C@H]1C[C@@H](C)O[C@@H]1C)c1ccccc1F ZINC000385074295 398130696 /nfs/dbraw/zinc/13/06/96/398130696.db2.gz DVJPGUVIMLBRSM-BIAAXOCRSA-N 0 3 237.318 3.042 20 0 BGADHN C[C@H](N[C@H]1C[C@@H](C)O[C@@H]1C)c1ccccc1F ZINC000385074309 398130753 /nfs/dbraw/zinc/13/07/53/398130753.db2.gz DVJPGUVIMLBRSM-DEKYYXRVSA-N 0 3 237.318 3.042 20 0 BGADHN C[C@@H](N[C@H]1C[C@@H](C)O[C@H]1C)c1ccccc1F ZINC000385074312 398130845 /nfs/dbraw/zinc/13/08/45/398130845.db2.gz DVJPGUVIMLBRSM-PUHVVEEASA-N 0 3 237.318 3.042 20 0 BGADHN C[C@H](N[C@H]1C[C@@H](C)O[C@H]1C)c1ccccc1F ZINC000385074313 398130499 /nfs/dbraw/zinc/13/04/99/398130499.db2.gz DVJPGUVIMLBRSM-ZHPDPMBESA-N 0 3 237.318 3.042 20 0 BGADHN CC/C=C\CNCc1ccc2[nH]ccc2c1 ZINC000385078963 367785095 /nfs/dbraw/zinc/78/50/95/367785095.db2.gz WNCVEDUYMDPYJI-ARJAWSKDSA-N 0 3 214.312 3.224 20 0 BGADHN CC/C=C/CNCc1ccc2[nH]ccc2c1 ZINC000385079000 367785270 /nfs/dbraw/zinc/78/52/70/367785270.db2.gz WNCVEDUYMDPYJI-ONEGZZNKSA-N 0 3 214.312 3.224 20 0 BGADHN C[C@H]1C[C@H](NCC(C)(C)C2CCC2)c2nccn21 ZINC000385083618 367787063 /nfs/dbraw/zinc/78/70/63/367787063.db2.gz ZLUVRCRZDJKNJC-AAEUAGOBSA-N 0 3 247.386 3.305 20 0 BGADHN C[C@@H]1C[C@@H](NCC(C)(C)C2CCC2)c2nccn21 ZINC000385083619 367786164 /nfs/dbraw/zinc/78/61/64/367786164.db2.gz ZLUVRCRZDJKNJC-DGCLKSJQSA-N 0 3 247.386 3.305 20 0 BGADHN C[C@H]1C[C@@H](NCC(C)(C)C2CCC2)c2nccn21 ZINC000385083621 367786292 /nfs/dbraw/zinc/78/62/92/367786292.db2.gz ZLUVRCRZDJKNJC-WCQYABFASA-N 0 3 247.386 3.305 20 0 BGADHN C[C@@H]1C[C@H](NCC(C)(C)C2CCC2)c2nccn21 ZINC000385083622 367786651 /nfs/dbraw/zinc/78/66/51/367786651.db2.gz ZLUVRCRZDJKNJC-YPMHNXCESA-N 0 3 247.386 3.305 20 0 BGADHN CC/C=C\CNCc1cc2ccccc2o1 ZINC000385090437 367787934 /nfs/dbraw/zinc/78/79/34/367787934.db2.gz XYFQGMXKZMTNDZ-UTCJRWHESA-N 0 3 215.296 3.489 20 0 BGADHN CC/C=C/CNCc1cc2ccccc2o1 ZINC000385090746 367788590 /nfs/dbraw/zinc/78/85/90/367788590.db2.gz XYFQGMXKZMTNDZ-ZZXKWVIFSA-N 0 3 215.296 3.489 20 0 BGADHN C/C=C\CNCc1ccc(SC)cc1 ZINC000385095574 344323569 /nfs/dbraw/zinc/32/35/69/344323569.db2.gz YSZIXDYHRXZKPA-ARJAWSKDSA-N 0 3 207.342 3.074 20 0 BGADHN C/C=C/CNCc1ccc(SC)cc1 ZINC000385095576 344323763 /nfs/dbraw/zinc/32/37/63/344323763.db2.gz YSZIXDYHRXZKPA-ONEGZZNKSA-N 0 3 207.342 3.074 20 0 BGADHN CC(C)n1ccc(CN[C@H](C)CC(C)(C)C)n1 ZINC000385100072 367790490 /nfs/dbraw/zinc/79/04/90/367790490.db2.gz HMSXWQGDHKSFSF-GFCCVEGCSA-N 0 3 237.391 3.378 20 0 BGADHN CC(C)n1ccc(CN[C@@H](C)CC(C)(C)C)n1 ZINC000385100083 367791275 /nfs/dbraw/zinc/79/12/75/367791275.db2.gz HMSXWQGDHKSFSF-LBPRGKRZSA-N 0 3 237.391 3.378 20 0 BGADHN C[C@@H](CC(C)(C)C)[NH2+]Cc1ccc([O-])c(F)c1 ZINC000385100608 711005736 /nfs/dbraw/zinc/00/57/36/711005736.db2.gz HOTJXBFYRFAJON-JTQLQIEISA-N 0 3 239.334 3.446 20 0 BGADHN C[C@H](CC(C)(C)C)[NH2+]Cc1ccc([O-])c(F)c1 ZINC000385100610 711005907 /nfs/dbraw/zinc/00/59/07/711005907.db2.gz HOTJXBFYRFAJON-SNVBAGLBSA-N 0 3 239.334 3.446 20 0 BGADHN CC/C=C\CNCc1ccnc2ccccc12 ZINC000385104716 367790913 /nfs/dbraw/zinc/79/09/13/367790913.db2.gz BPDFKRWUULPGTH-UTCJRWHESA-N 0 3 226.323 3.291 20 0 BGADHN CC/C=C/CNCc1ccnc2ccccc12 ZINC000385104718 367791296 /nfs/dbraw/zinc/79/12/96/367791296.db2.gz BPDFKRWUULPGTH-ZZXKWVIFSA-N 0 3 226.323 3.291 20 0 BGADHN CC/C=C\CNCc1cc(F)c(F)c(F)c1 ZINC000385105002 367791404 /nfs/dbraw/zinc/79/14/04/367791404.db2.gz BSCGMJWQQYRZEU-ARJAWSKDSA-N 0 3 229.245 3.160 20 0 BGADHN CC/C=C/CNCc1cc(F)c(F)c(F)c1 ZINC000385105008 367790769 /nfs/dbraw/zinc/79/07/69/367790769.db2.gz BSCGMJWQQYRZEU-ONEGZZNKSA-N 0 3 229.245 3.160 20 0 BGADHN Cc1noc(C)c1CN[C@H](C)CC(C)(C)C ZINC000385108778 367793808 /nfs/dbraw/zinc/79/38/08/367793808.db2.gz ITZADOXBBZWAKN-SECBINFHSA-N 0 3 224.348 3.206 20 0 BGADHN Cc1noc(C)c1CN[C@@H](C)CC(C)(C)C ZINC000385108797 367793761 /nfs/dbraw/zinc/79/37/61/367793761.db2.gz ITZADOXBBZWAKN-VIFPVBQESA-N 0 3 224.348 3.206 20 0 BGADHN CC/C=C\CNCc1ccc(OC)c(Cl)c1 ZINC000385117686 367795152 /nfs/dbraw/zinc/79/51/52/367795152.db2.gz FBIBDLQQBHJMFF-PLNGDYQASA-N 0 3 239.746 3.404 20 0 BGADHN CC/C=C/CNCc1ccc(OC)c(Cl)c1 ZINC000385117690 344902051 /nfs/dbraw/zinc/90/20/51/344902051.db2.gz FBIBDLQQBHJMFF-SNAWJCMRSA-N 0 3 239.746 3.404 20 0 BGADHN Cc1nc(CN[C@@H]2C[C@H]2CC(C)C)sc1C ZINC000385137306 711006304 /nfs/dbraw/zinc/00/63/04/711006304.db2.gz BBLANYHUURSFEJ-VXGBXAGGSA-N 0 3 238.400 3.284 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2C[C@H](C)O[C@@H]2C)c(C)o1 ZINC000385142447 398136459 /nfs/dbraw/zinc/13/64/59/398136459.db2.gz MEVNFKARLJMVJI-BQSGVUBFSA-N 0 3 237.343 3.113 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2C[C@@H](C)O[C@@H]2C)c(C)o1 ZINC000385142456 398136428 /nfs/dbraw/zinc/13/64/28/398136428.db2.gz MEVNFKARLJMVJI-IQOUGMIPSA-N 0 3 237.343 3.113 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2C[C@@H](C)O[C@H]2C)c(C)o1 ZINC000385142457 398136475 /nfs/dbraw/zinc/13/64/75/398136475.db2.gz MEVNFKARLJMVJI-IUCKATPISA-N 0 3 237.343 3.113 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2C[C@H](C)O[C@H]2C)c(C)o1 ZINC000385142459 398136489 /nfs/dbraw/zinc/13/64/89/398136489.db2.gz MEVNFKARLJMVJI-JYYRZZBQSA-N 0 3 237.343 3.113 20 0 BGADHN CC/C=C\CNCc1ccc2cnccc2c1 ZINC000385142877 398261724 /nfs/dbraw/zinc/26/17/24/398261724.db2.gz ITBXEEIJYKUBAT-ARJAWSKDSA-N 0 3 226.323 3.291 20 0 BGADHN CC/C=C/CNCc1ccc2cnccc2c1 ZINC000385142878 398261876 /nfs/dbraw/zinc/26/18/76/398261876.db2.gz ITBXEEIJYKUBAT-ONEGZZNKSA-N 0 3 226.323 3.291 20 0 BGADHN Cc1csc(CNCc2ccncc2C)c1 ZINC000385146600 367801499 /nfs/dbraw/zinc/80/14/99/367801499.db2.gz JJGKIHLZZZPJNN-UHFFFAOYSA-N 0 3 232.352 3.050 20 0 BGADHN C[C@@H](N[C@H]1C[C@@H](C)O[C@@H]1C)c1ccc(F)cc1 ZINC000385212098 398140580 /nfs/dbraw/zinc/14/05/80/398140580.db2.gz RVMFDSORLWYEQF-BIAAXOCRSA-N 0 3 237.318 3.042 20 0 BGADHN C[C@H](N[C@H]1C[C@@H](C)O[C@@H]1C)c1ccc(F)cc1 ZINC000385212101 398140677 /nfs/dbraw/zinc/14/06/77/398140677.db2.gz RVMFDSORLWYEQF-DEKYYXRVSA-N 0 3 237.318 3.042 20 0 BGADHN C[C@@H](N[C@H]1C[C@@H](C)O[C@H]1C)c1ccc(F)cc1 ZINC000385212106 398140687 /nfs/dbraw/zinc/14/06/87/398140687.db2.gz RVMFDSORLWYEQF-PUHVVEEASA-N 0 3 237.318 3.042 20 0 BGADHN C[C@H](N[C@H]1C[C@@H](C)O[C@H]1C)c1ccc(F)cc1 ZINC000385212108 398140552 /nfs/dbraw/zinc/14/05/52/398140552.db2.gz RVMFDSORLWYEQF-ZHPDPMBESA-N 0 3 237.318 3.042 20 0 BGADHN Cc1nc(C)c(CNCCC2=CCCCC2)o1 ZINC000385212479 398140698 /nfs/dbraw/zinc/14/06/98/398140698.db2.gz QMKLFDKONIHKNT-UHFFFAOYSA-N 0 3 234.343 3.272 20 0 BGADHN CC/C=C\CNCc1cccc2cccnc21 ZINC000385247135 367813761 /nfs/dbraw/zinc/81/37/61/367813761.db2.gz WLZZXBXHTHHLCQ-ARJAWSKDSA-N 0 3 226.323 3.291 20 0 BGADHN CC[C@@H](C)C[C@@H](CC)NCc1nccn1CC ZINC000385292970 367817713 /nfs/dbraw/zinc/81/77/13/367817713.db2.gz CTHHYNHFQRXJFY-CHWSQXEVSA-N 0 3 237.391 3.207 20 0 BGADHN CC[C@@H](C)C[C@H](CC)NCc1nccn1CC ZINC000385292974 367818183 /nfs/dbraw/zinc/81/81/83/367818183.db2.gz CTHHYNHFQRXJFY-OLZOCXBDSA-N 0 3 237.391 3.207 20 0 BGADHN CC[C@H](C[C@@H](C)CC)NCc1nccn1CC ZINC000385292975 367817282 /nfs/dbraw/zinc/81/72/82/367817282.db2.gz CTHHYNHFQRXJFY-QWHCGFSZSA-N 0 3 237.391 3.207 20 0 BGADHN CC[C@H](C)C[C@H](CC)NCc1nccn1CC ZINC000385292978 367817489 /nfs/dbraw/zinc/81/74/89/367817489.db2.gz CTHHYNHFQRXJFY-STQMWFEESA-N 0 3 237.391 3.207 20 0 BGADHN CC(C)C[C@@H]1C[C@H]1NCc1ccncc1Cl ZINC000385324321 342745600 /nfs/dbraw/zinc/74/56/00/342745600.db2.gz OREOJYQXIVWJAH-DGCLKSJQSA-N 0 3 238.762 3.259 20 0 BGADHN CSC(C)(C)CCNCc1nc(C)cs1 ZINC000385328548 711012064 /nfs/dbraw/zinc/01/20/64/711012064.db2.gz TYKRSVNQUXEMAG-UHFFFAOYSA-N 0 3 244.429 3.073 20 0 BGADHN CSC(C)(C)CCNCc1ncc(C)s1 ZINC000385347872 711011658 /nfs/dbraw/zinc/01/16/58/711011658.db2.gz ZQDLDHVLISORMF-UHFFFAOYSA-N 0 3 244.429 3.073 20 0 BGADHN CC[C@H]1CCC[C@H](NCc2nccn2CC)CC1 ZINC000385381376 487783516 /nfs/dbraw/zinc/78/35/16/487783516.db2.gz SEDMZPUDOPJVEO-KBPBESRZSA-N 0 3 249.402 3.352 20 0 BGADHN CC[C@@H]1CCC[C@H](NCc2nccn2CC)CC1 ZINC000385381378 487783750 /nfs/dbraw/zinc/78/37/50/487783750.db2.gz SEDMZPUDOPJVEO-KGLIPLIRSA-N 0 3 249.402 3.352 20 0 BGADHN CC[C@H]1CCC[C@@H](NCc2nccn2CC)CC1 ZINC000385381381 487783544 /nfs/dbraw/zinc/78/35/44/487783544.db2.gz SEDMZPUDOPJVEO-UONOGXRCSA-N 0 3 249.402 3.352 20 0 BGADHN CC[C@@H]1CCC[C@@H](NCc2nccn2CC)CC1 ZINC000385381385 487783812 /nfs/dbraw/zinc/78/38/12/487783812.db2.gz SEDMZPUDOPJVEO-ZIAGYGMSSA-N 0 3 249.402 3.352 20 0 BGADHN CCn1ccnc1CN[C@@H](CCC(C)C)C1CC1 ZINC000385401242 367826089 /nfs/dbraw/zinc/82/60/89/367826089.db2.gz WMRLDTBDFGIFIY-AWEZNQCLSA-N 0 3 249.402 3.207 20 0 BGADHN CCn1ccnc1CN[C@H](CCC(C)C)C1CC1 ZINC000385401243 367826670 /nfs/dbraw/zinc/82/66/70/367826670.db2.gz WMRLDTBDFGIFIY-CQSZACIVSA-N 0 3 249.402 3.207 20 0 BGADHN CCn1ccnc1CN[C@@H]1CCCC12CCCC2 ZINC000385419803 367827414 /nfs/dbraw/zinc/82/74/14/367827414.db2.gz ZYPMQALYIHUNPT-CYBMUJFWSA-N 0 3 247.386 3.106 20 0 BGADHN CCn1ccnc1CN[C@H]1CCCC12CCCC2 ZINC000385419823 367827484 /nfs/dbraw/zinc/82/74/84/367827484.db2.gz ZYPMQALYIHUNPT-ZDUSSCGKSA-N 0 3 247.386 3.106 20 0 BGADHN C[C@H](N(C)Cc1cccc(F)c1N)C1(C)CC1 ZINC000385512406 398166788 /nfs/dbraw/zinc/16/67/88/398166788.db2.gz PMAMYGFFSKHXIE-JTQLQIEISA-N 0 3 236.334 3.028 20 0 BGADHN C[C@@H](N(C)Cc1cccc(F)c1N)C1(C)CC1 ZINC000385512408 398166414 /nfs/dbraw/zinc/16/64/14/398166414.db2.gz PMAMYGFFSKHXIE-SNVBAGLBSA-N 0 3 236.334 3.028 20 0 BGADHN CCN(CCC1CC1)Cc1cnc(Cl)s1 ZINC000385624292 711016014 /nfs/dbraw/zinc/01/60/14/711016014.db2.gz ADZIHZCHYSISEJ-UHFFFAOYSA-N 0 3 244.791 3.419 20 0 BGADHN CC(C)C[C@@H]1C[C@H]1N[C@H]1CCCc2cccnc21 ZINC000385776506 487802147 /nfs/dbraw/zinc/80/21/47/487802147.db2.gz BQCRUMADTOCMIG-QLFBSQMISA-N 0 3 244.382 3.483 20 0 BGADHN CC(C)C[C@@H]1C[C@H]1N[C@@H]1CCCc2cccnc21 ZINC000385776507 487802367 /nfs/dbraw/zinc/80/23/67/487802367.db2.gz BQCRUMADTOCMIG-RBSFLKMASA-N 0 3 244.382 3.483 20 0 BGADHN CC(C)C[C@@H]1C[C@H]1NCc1ccsc1 ZINC000385793549 367864313 /nfs/dbraw/zinc/86/43/13/367864313.db2.gz FKPBYYGTABQGBP-VXGBXAGGSA-N 0 3 209.358 3.272 20 0 BGADHN CC(C)C[C@@H]1C[C@H]1N[C@H](C)c1ccco1 ZINC000385805976 367865268 /nfs/dbraw/zinc/86/52/68/367865268.db2.gz HJOYGZXAJWIDMH-IJLUTSLNSA-N 0 3 207.317 3.365 20 0 BGADHN CC(C)C[C@@H]1C[C@H]1N[C@@H](C)c1ccco1 ZINC000385805981 342855875 /nfs/dbraw/zinc/85/58/75/342855875.db2.gz HJOYGZXAJWIDMH-QJPTWQEYSA-N 0 3 207.317 3.365 20 0 BGADHN CC(C)C[C@@H]1C[C@H]1NCc1cnn(C(C)(C)C)c1 ZINC000385809997 367866862 /nfs/dbraw/zinc/86/68/62/367866862.db2.gz IBHVJTYSODKCJK-ZIAGYGMSSA-N 0 3 249.402 3.162 20 0 BGADHN COc1ccccc1CN[C@@H]1C[C@H]1CC(C)C ZINC000385814956 367867299 /nfs/dbraw/zinc/86/72/99/367867299.db2.gz IUJYTTYMCPSHEC-ZIAGYGMSSA-N 0 3 233.355 3.219 20 0 BGADHN CC(C)C[C@@H]1C[C@H]1[NH2+]Cc1cc([O-])cc(F)c1 ZINC000385832766 367868507 /nfs/dbraw/zinc/86/85/07/367868507.db2.gz LYURYZUJZHPLGP-BXUZGUMPSA-N 0 3 237.318 3.056 20 0 BGADHN CC(C)C[C@@H]1C[C@H]1N[C@@H](C)c1cccnc1 ZINC000385832814 367868370 /nfs/dbraw/zinc/86/83/70/367868370.db2.gz LYZGMCBFURGCNQ-IACUBPJLSA-N 0 3 218.344 3.167 20 0 BGADHN CC(C)C[C@@H]1C[C@H]1N[C@H](C)c1cccnc1 ZINC000385832815 342861052 /nfs/dbraw/zinc/86/10/52/342861052.db2.gz LYZGMCBFURGCNQ-MRVWCRGKSA-N 0 3 218.344 3.167 20 0 BGADHN Cc1ccc(CN[C@@H]2C[C@H]2CC(C)C)o1 ZINC000385838274 367868998 /nfs/dbraw/zinc/86/89/98/367868998.db2.gz MZOAJXMZMHHQGQ-DGCLKSJQSA-N 0 3 207.317 3.112 20 0 BGADHN CC(C)C[C@@H]1C[C@H]1NCc1ccc(Cl)o1 ZINC000385844629 367869726 /nfs/dbraw/zinc/86/97/26/367869726.db2.gz OKFCKZIBNVDRFO-MWLCHTKSSA-N 0 3 227.735 3.457 20 0 BGADHN CC(C)C[C@@H]1C[C@H]1N[C@@H](C)c1ccoc1 ZINC000385849179 367869801 /nfs/dbraw/zinc/86/98/01/367869801.db2.gz PLSFXVIPMXJRQG-CYZMBNFOSA-N 0 3 207.317 3.365 20 0 BGADHN CC(C)C[C@@H]1C[C@H]1N[C@H](C)c1ccoc1 ZINC000385849182 367869747 /nfs/dbraw/zinc/86/97/47/367869747.db2.gz PLSFXVIPMXJRQG-RAIGVLPGSA-N 0 3 207.317 3.365 20 0 BGADHN Cc1nc(C)c(CN[C@@H]2C[C@H]2CC(C)C)s1 ZINC000385854007 367870578 /nfs/dbraw/zinc/87/05/78/367870578.db2.gz QLEOQHGBTIBYAP-VXGBXAGGSA-N 0 3 238.400 3.284 20 0 BGADHN CC(C)C[C@@H]1C[C@H]1N[C@H](C)c1ccc(F)cn1 ZINC000385857362 367870514 /nfs/dbraw/zinc/87/05/14/367870514.db2.gz RFNASJAIXKUZPF-JTNHKYCSSA-N 0 3 236.334 3.306 20 0 BGADHN CC(C)C[C@@H]1C[C@H]1N[C@@H](C)c1ccc(F)cn1 ZINC000385857364 367871375 /nfs/dbraw/zinc/87/13/75/367871375.db2.gz RFNASJAIXKUZPF-MISXGVKJSA-N 0 3 236.334 3.306 20 0 BGADHN CCc1ncc(CN[C@@H]2C[C@H]2CC(C)C)s1 ZINC000385884104 367875058 /nfs/dbraw/zinc/87/50/58/367875058.db2.gz XRTHFFRVCGZKPT-ZYHUDNBSSA-N 0 3 238.400 3.230 20 0 BGADHN CC[C@H](N[C@H]1CCn2ccnc21)C1CCCCC1 ZINC000385914354 487824029 /nfs/dbraw/zinc/82/40/29/487824029.db2.gz ALLJLKYSTLECOF-KBPBESRZSA-N 0 3 247.386 3.276 20 0 BGADHN CC[C@@H](N[C@H]1CCn2ccnc21)C1CCCCC1 ZINC000385914357 487824049 /nfs/dbraw/zinc/82/40/49/487824049.db2.gz ALLJLKYSTLECOF-KGLIPLIRSA-N 0 3 247.386 3.276 20 0 BGADHN CC[C@H](N[C@@H]1CCn2ccnc21)C1CCCCC1 ZINC000385914898 487823966 /nfs/dbraw/zinc/82/39/66/487823966.db2.gz ALLJLKYSTLECOF-UONOGXRCSA-N 0 3 247.386 3.276 20 0 BGADHN CC[C@@H](N[C@@H]1CCn2ccnc21)C1CCCCC1 ZINC000385914900 487823802 /nfs/dbraw/zinc/82/38/02/487823802.db2.gz ALLJLKYSTLECOF-ZIAGYGMSSA-N 0 3 247.386 3.276 20 0 BGADHN CC(C)[C@@H]1CCCC[C@H]1N[C@@H]1CCn2ccnc21 ZINC000385928418 367883991 /nfs/dbraw/zinc/88/39/91/367883991.db2.gz CUUCTFGYCMJKPK-BFHYXJOUSA-N 0 3 247.386 3.132 20 0 BGADHN CC(C)[C@@H]1CCCC[C@@H]1N[C@H]1CCn2ccnc21 ZINC000385928420 367883962 /nfs/dbraw/zinc/88/39/62/367883962.db2.gz CUUCTFGYCMJKPK-IHRRRGAJSA-N 0 3 247.386 3.132 20 0 BGADHN CC(C)[C@@H]1CCCC[C@@H]1N[C@@H]1CCn2ccnc21 ZINC000385928422 367883997 /nfs/dbraw/zinc/88/39/97/367883997.db2.gz CUUCTFGYCMJKPK-MELADBBJSA-N 0 3 247.386 3.132 20 0 BGADHN CC(C)[C@@H]1CCCC[C@H]1N[C@H]1CCn2ccnc21 ZINC000385928424 367884688 /nfs/dbraw/zinc/88/46/88/367884688.db2.gz CUUCTFGYCMJKPK-MJBXVCDLSA-N 0 3 247.386 3.132 20 0 BGADHN C[C@@H]1C[C@H](NCc2ccn(C3CCCC3)n2)[C@@H]1C ZINC000385982734 367892787 /nfs/dbraw/zinc/89/27/87/367892787.db2.gz QJFAPIGEQWLYTE-JMSVASOKSA-N 0 3 247.386 3.132 20 0 BGADHN C[C@@H]1C[C@@H](NCc2ccn(C3CCCC3)n2)[C@@H]1C ZINC000385982748 367893230 /nfs/dbraw/zinc/89/32/30/367893230.db2.gz QJFAPIGEQWLYTE-LALPHHSUSA-N 0 3 247.386 3.132 20 0 BGADHN C[C@@H]1C[C@@H](NCc2ccn(C3CCCC3)n2)[C@H]1C ZINC000385982758 367892399 /nfs/dbraw/zinc/89/23/99/367892399.db2.gz QJFAPIGEQWLYTE-TYNCELHUSA-N 0 3 247.386 3.132 20 0 BGADHN C[C@@H]1C[C@H](NCc2ccn(C3CCCC3)n2)[C@H]1C ZINC000385982765 367892354 /nfs/dbraw/zinc/89/23/54/367892354.db2.gz QJFAPIGEQWLYTE-XUJVJEKNSA-N 0 3 247.386 3.132 20 0 BGADHN COCC1(NCc2ccc(C(C)C)cc2)CCC1 ZINC000386022613 362926969 /nfs/dbraw/zinc/92/69/69/362926969.db2.gz XPGWCRAROKGGBJ-UHFFFAOYSA-N 0 3 247.382 3.469 20 0 BGADHN Cc1cc(CNCC(C)(C)c2ccccc2)on1 ZINC000386094403 541516382 /nfs/dbraw/zinc/51/63/82/541516382.db2.gz ISWMAKNCLAMMLV-UHFFFAOYSA-N 0 3 244.338 3.050 20 0 BGADHN C[C@@H]1C[C@H](N[C@H]2CCCCC[C@H]2C)c2nccn21 ZINC000386102609 398196711 /nfs/dbraw/zinc/19/67/11/398196711.db2.gz RNFZJLKEXJGKFY-MQYQWHSLSA-N 0 3 247.386 3.447 20 0 BGADHN C[C@H]1C[C@H](N[C@H]2CCCCC[C@H]2C)c2nccn21 ZINC000386102611 398196596 /nfs/dbraw/zinc/19/65/96/398196596.db2.gz RNFZJLKEXJGKFY-RFGFWPKPSA-N 0 3 247.386 3.447 20 0 BGADHN C[C@@H]1C[C@@H](N[C@H]2CCCCC[C@H]2C)c2nccn21 ZINC000386102613 398196659 /nfs/dbraw/zinc/19/66/59/398196659.db2.gz RNFZJLKEXJGKFY-YIYPIFLZSA-N 0 3 247.386 3.447 20 0 BGADHN C[C@H]1C[C@@H](N[C@H]2CCCCC[C@H]2C)c2nccn21 ZINC000386102615 398196840 /nfs/dbraw/zinc/19/68/40/398196840.db2.gz RNFZJLKEXJGKFY-ZOBORPQBSA-N 0 3 247.386 3.447 20 0 BGADHN CC[C@]1(NCc2coc3ccccc23)CCOC1 ZINC000386159810 541516407 /nfs/dbraw/zinc/51/64/07/541516407.db2.gz FFEQTWUNJDWADI-HNNXBMFYSA-N 0 3 245.322 3.092 20 0 BGADHN CC[C@@]1(NCc2coc3ccccc23)CCOC1 ZINC000386159812 541516358 /nfs/dbraw/zinc/51/63/58/541516358.db2.gz FFEQTWUNJDWADI-OAHLLOKOSA-N 0 3 245.322 3.092 20 0 BGADHN CC(C)C(CN[C@@H]1C[C@H](C)n2ccnc21)C(C)C ZINC000386203170 367929170 /nfs/dbraw/zinc/92/91/70/367929170.db2.gz LQYYZJIFOTYVQB-GXTWGEPZSA-N 0 3 249.402 3.407 20 0 BGADHN CC(C)C(CN[C@H]1C[C@H](C)n2ccnc21)C(C)C ZINC000386203172 367929026 /nfs/dbraw/zinc/92/90/26/367929026.db2.gz LQYYZJIFOTYVQB-JSGCOSHPSA-N 0 3 249.402 3.407 20 0 BGADHN CC(C)C(CN[C@H]1C[C@@H](C)n2ccnc21)C(C)C ZINC000386203173 367928605 /nfs/dbraw/zinc/92/86/05/367928605.db2.gz LQYYZJIFOTYVQB-OCCSQVGLSA-N 0 3 249.402 3.407 20 0 BGADHN CC(C)C(CN[C@@H]1C[C@@H](C)n2ccnc21)C(C)C ZINC000386203174 367928372 /nfs/dbraw/zinc/92/83/72/367928372.db2.gz LQYYZJIFOTYVQB-TZMCWYRMSA-N 0 3 249.402 3.407 20 0 BGADHN N#Cc1csc(CNC2CCCCCCC2)n1 ZINC000386291353 711027119 /nfs/dbraw/zinc/02/71/19/711027119.db2.gz SYBOPKROWNTXAP-UHFFFAOYSA-N 0 3 249.383 3.217 20 0 BGADHN Cc1cc(CNC23CC4CC(CC(C4)C2)C3)on1 ZINC000386349157 362971608 /nfs/dbraw/zinc/97/16/08/362971608.db2.gz PARHQZUEKYHTRO-UHFFFAOYSA-N 0 3 246.354 3.041 20 0 BGADHN CCCCCCC(=O)Nc1ccc2c(c1)CNC2 ZINC000386434390 711029202 /nfs/dbraw/zinc/02/92/02/711029202.db2.gz JIFOBQXLCKRSBF-UHFFFAOYSA-N 0 3 246.354 3.199 20 0 BGADHN CC(C)(C)CCC(=O)Nc1ccc2c(c1)CNC2 ZINC000386477769 367979005 /nfs/dbraw/zinc/97/90/05/367979005.db2.gz PWZIHNMQKKTIQK-UHFFFAOYSA-N 0 3 246.354 3.055 20 0 BGADHN CCCC[C@@H](C)C(=O)Nc1ccc2c(c1)CNC2 ZINC000386521867 367985528 /nfs/dbraw/zinc/98/55/28/367985528.db2.gz XWQCVZATCPBYMV-LLVKDONJSA-N 0 3 246.354 3.055 20 0 BGADHN CCCC[C@H](C)C(=O)Nc1ccc2c(c1)CNC2 ZINC000386521869 367985383 /nfs/dbraw/zinc/98/53/83/367985383.db2.gz XWQCVZATCPBYMV-NSHDSACASA-N 0 3 246.354 3.055 20 0 BGADHN CC[C@@H](CN[C@@H](C)c1cccc(Cl)c1)OC ZINC000386571106 344727253 /nfs/dbraw/zinc/72/72/53/344727253.db2.gz LQXUVGMDXUTAMF-GWCFXTLKSA-N 0 3 241.762 3.416 20 0 BGADHN CC[C@H](CN[C@@H](C)c1cccc(Cl)c1)OC ZINC000386571108 367993775 /nfs/dbraw/zinc/99/37/75/367993775.db2.gz LQXUVGMDXUTAMF-GXFFZTMASA-N 0 3 241.762 3.416 20 0 BGADHN CC[C@@H](CN[C@H](C)c1cccc(Cl)c1)OC ZINC000386571109 367994355 /nfs/dbraw/zinc/99/43/55/367994355.db2.gz LQXUVGMDXUTAMF-MFKMUULPSA-N 0 3 241.762 3.416 20 0 BGADHN CC[C@H](CN[C@H](C)c1cccc(Cl)c1)OC ZINC000386571111 367993849 /nfs/dbraw/zinc/99/38/49/367993849.db2.gz LQXUVGMDXUTAMF-ZWNOBZJWSA-N 0 3 241.762 3.416 20 0 BGADHN CC[C@H](N[C@H](C)c1csc(Cl)c1)[C@@H](C)O ZINC000386641551 368005080 /nfs/dbraw/zinc/00/50/80/368005080.db2.gz ADAYLDHHTSYKIP-MRTMQBJTSA-N 0 3 247.791 3.212 20 0 BGADHN CC[C@H](N[C@@H](C)c1csc(Cl)c1)[C@H](C)O ZINC000386641552 368005161 /nfs/dbraw/zinc/00/51/61/368005161.db2.gz ADAYLDHHTSYKIP-NRPADANISA-N 0 3 247.791 3.212 20 0 BGADHN CC[C@H](N[C@H](C)c1csc(Cl)c1)[C@H](C)O ZINC000386641553 368004978 /nfs/dbraw/zinc/00/49/78/368004978.db2.gz ADAYLDHHTSYKIP-WEDXCCLWSA-N 0 3 247.791 3.212 20 0 BGADHN CC[C@H](N[C@@H](C)c1csc(Cl)c1)[C@@H](C)O ZINC000386641559 368005158 /nfs/dbraw/zinc/00/51/58/368005158.db2.gz ADAYLDHHTSYKIP-XKSSXDPKSA-N 0 3 247.791 3.212 20 0 BGADHN CC[C@H](N[C@@H](C)c1ccc(Cl)s1)[C@H](C)O ZINC000386694412 368010593 /nfs/dbraw/zinc/01/05/93/368010593.db2.gz LDGDQRRLTMCOFZ-CIUDSAMLSA-N 0 3 247.791 3.212 20 0 BGADHN CC[C@H](N[C@H](C)c1ccc(Cl)s1)[C@@H](C)O ZINC000386694414 368010658 /nfs/dbraw/zinc/01/06/58/368010658.db2.gz LDGDQRRLTMCOFZ-HLTSFMKQSA-N 0 3 247.791 3.212 20 0 BGADHN CC[C@H](N[C@H](C)c1ccc(Cl)s1)[C@H](C)O ZINC000386694416 368011054 /nfs/dbraw/zinc/01/10/54/368011054.db2.gz LDGDQRRLTMCOFZ-VGMNWLOBSA-N 0 3 247.791 3.212 20 0 BGADHN CC[C@H](N[C@@H](C)c1ccc(Cl)s1)[C@@H](C)O ZINC000386694418 368011155 /nfs/dbraw/zinc/01/11/55/368011155.db2.gz LDGDQRRLTMCOFZ-YIZRAAEISA-N 0 3 247.791 3.212 20 0 BGADHN CC[C@H](N[C@H](C)c1ccccc1Cl)[C@@H](C)O ZINC000386808593 368024724 /nfs/dbraw/zinc/02/47/24/368024724.db2.gz RKRQSSCSQCKCHO-BREBYQMCSA-N 0 3 241.762 3.150 20 0 BGADHN CC[C@H](N[C@@H](C)c1ccccc1Cl)[C@@H](C)O ZINC000386808594 368024660 /nfs/dbraw/zinc/02/46/60/368024660.db2.gz RKRQSSCSQCKCHO-CWSCBRNRSA-N 0 3 241.762 3.150 20 0 BGADHN CC[C@H](N[C@@H](C)c1ccccc1Cl)[C@H](C)O ZINC000386808595 368024124 /nfs/dbraw/zinc/02/41/24/368024124.db2.gz RKRQSSCSQCKCHO-KWBADKCTSA-N 0 3 241.762 3.150 20 0 BGADHN CC[C@H](N[C@H](C)c1ccccc1Cl)[C@H](C)O ZINC000386808598 368023863 /nfs/dbraw/zinc/02/38/63/368023863.db2.gz RKRQSSCSQCKCHO-NRUUGDAUSA-N 0 3 241.762 3.150 20 0 BGADHN Clc1cnccc1CN[C@@H]1CC12CCCC2 ZINC000386844823 368027315 /nfs/dbraw/zinc/02/73/15/368027315.db2.gz BSVFJQPEZYOPCB-GFCCVEGCSA-N 0 3 236.746 3.157 20 0 BGADHN Clc1cnccc1CN[C@H]1CC12CCCC2 ZINC000386844824 368027006 /nfs/dbraw/zinc/02/70/06/368027006.db2.gz BSVFJQPEZYOPCB-LBPRGKRZSA-N 0 3 236.746 3.157 20 0 BGADHN CC(C)Oc1ncccc1CN[C@@H]1C[C@@H](C)[C@@H]1C ZINC000386847414 398220907 /nfs/dbraw/zinc/22/09/07/398220907.db2.gz SHXQRIGAPXROOF-MBNYWOFBSA-N 0 3 248.370 3.003 20 0 BGADHN CC(C)Oc1ncccc1CN[C@@H]1C[C@H](C)[C@H]1C ZINC000386847422 398266409 /nfs/dbraw/zinc/26/64/09/398266409.db2.gz SHXQRIGAPXROOF-OUCADQQQSA-N 0 3 248.370 3.003 20 0 BGADHN CC(C)Oc1ncccc1CN[C@@H]1C[C@H](C)[C@@H]1C ZINC000386847431 398220984 /nfs/dbraw/zinc/22/09/84/398220984.db2.gz SHXQRIGAPXROOF-SGMGOOAPSA-N 0 3 248.370 3.003 20 0 BGADHN CC(C)Oc1ncccc1CN[C@@H]1C[C@@H](C)[C@H]1C ZINC000386847444 398221744 /nfs/dbraw/zinc/22/17/44/398221744.db2.gz SHXQRIGAPXROOF-YRGRVCCFSA-N 0 3 248.370 3.003 20 0 BGADHN CC(C)(C)n1cc(CN[C@@H]2CC23CCCC3)cn1 ZINC000386859532 368028386 /nfs/dbraw/zinc/02/83/86/368028386.db2.gz FFXLGVNDZIPMGZ-CYBMUJFWSA-N 0 3 247.386 3.060 20 0 BGADHN CC(C)(C)n1cc(CN[C@H]2CC23CCCC3)cn1 ZINC000386859534 368028393 /nfs/dbraw/zinc/02/83/93/368028393.db2.gz FFXLGVNDZIPMGZ-ZDUSSCGKSA-N 0 3 247.386 3.060 20 0 BGADHN CC[C@H](N[C@@H](CC)[C@H](C)O)c1ccccc1F ZINC000386906324 343136279 /nfs/dbraw/zinc/13/62/79/343136279.db2.gz PLWRXYIWXZXNSA-BPNCWPANSA-N 0 3 239.334 3.026 20 0 BGADHN CC[C@@H](N[C@@H](CC)c1ccccc1F)[C@H](C)O ZINC000386906326 343136303 /nfs/dbraw/zinc/13/63/03/343136303.db2.gz PLWRXYIWXZXNSA-GDLCADMTSA-N 0 3 239.334 3.026 20 0 BGADHN CC[C@@H](N[C@@H](CC)c1ccccc1F)[C@@H](C)O ZINC000386906328 368033752 /nfs/dbraw/zinc/03/37/52/368033752.db2.gz PLWRXYIWXZXNSA-HONMWMINSA-N 0 3 239.334 3.026 20 0 BGADHN CC[C@H](N[C@@H](CC)[C@@H](C)O)c1ccccc1F ZINC000386906329 368033723 /nfs/dbraw/zinc/03/37/23/368033723.db2.gz PLWRXYIWXZXNSA-SWHYSGLUSA-N 0 3 239.334 3.026 20 0 BGADHN Cc1ccoc1CN[C@@H]1CC12CCCCC2 ZINC000386906696 363060114 /nfs/dbraw/zinc/06/01/14/363060114.db2.gz MQODRTNFJMQEDU-CYBMUJFWSA-N 0 3 219.328 3.400 20 0 BGADHN Cc1ccoc1CN[C@H]1CC12CCCCC2 ZINC000386906698 363059890 /nfs/dbraw/zinc/05/98/90/363059890.db2.gz MQODRTNFJMQEDU-ZDUSSCGKSA-N 0 3 219.328 3.400 20 0 BGADHN Cc1ccncc1CN[C@H]1CC12CCCCC2 ZINC000386909953 363061552 /nfs/dbraw/zinc/06/15/52/363061552.db2.gz CJYNDDRXGNOBTN-AWEZNQCLSA-N 0 3 230.355 3.202 20 0 BGADHN Cc1ccncc1CN[C@@H]1CC12CCCCC2 ZINC000386909955 363061570 /nfs/dbraw/zinc/06/15/70/363061570.db2.gz CJYNDDRXGNOBTN-CQSZACIVSA-N 0 3 230.355 3.202 20 0 BGADHN Cc1ncccc1CN[C@H]1CC12CCCCC2 ZINC000386913486 363061464 /nfs/dbraw/zinc/06/14/64/363061464.db2.gz CXNMOBJRTHBREQ-AWEZNQCLSA-N 0 3 230.355 3.202 20 0 BGADHN Cc1ncccc1CN[C@@H]1CC12CCCCC2 ZINC000386913488 363061624 /nfs/dbraw/zinc/06/16/24/363061624.db2.gz CXNMOBJRTHBREQ-CQSZACIVSA-N 0 3 230.355 3.202 20 0 BGADHN Cc1ccc(CN[C@@H]2CC23CCCCC3)o1 ZINC000386916985 363060026 /nfs/dbraw/zinc/06/00/26/363060026.db2.gz OOJFCDRNXBWIQJ-CYBMUJFWSA-N 0 3 219.328 3.400 20 0 BGADHN Cc1ccc(CN[C@H]2CC23CCCCC3)o1 ZINC000386916987 363059998 /nfs/dbraw/zinc/05/99/98/363059998.db2.gz OOJFCDRNXBWIQJ-ZDUSSCGKSA-N 0 3 219.328 3.400 20 0 BGADHN COc1ccc(CN[C@H]2CC23CCCC3)cc1F ZINC000386932412 368036599 /nfs/dbraw/zinc/03/65/99/368036599.db2.gz RVGWYXOMPPBDEI-AWEZNQCLSA-N 0 3 249.329 3.257 20 0 BGADHN COc1ccc(CN[C@@H]2CC23CCCC3)cc1F ZINC000386932413 368036461 /nfs/dbraw/zinc/03/64/61/368036461.db2.gz RVGWYXOMPPBDEI-CQSZACIVSA-N 0 3 249.329 3.257 20 0 BGADHN Nc1c(F)cccc1CN[C@@H]1CC12CCCCC2 ZINC000386935569 398222872 /nfs/dbraw/zinc/22/28/72/398222872.db2.gz SMABHZIQRIUBJO-CYBMUJFWSA-N 0 3 248.345 3.220 20 0 BGADHN Nc1c(F)cccc1CN[C@H]1CC12CCCCC2 ZINC000386935571 398222904 /nfs/dbraw/zinc/22/29/04/398222904.db2.gz SMABHZIQRIUBJO-ZDUSSCGKSA-N 0 3 248.345 3.220 20 0 BGADHN c1coc(CN[C@@H]2CC23CCCCC3)c1 ZINC000386943412 363074183 /nfs/dbraw/zinc/07/41/83/363074183.db2.gz UZBUAAVJMWKCSZ-GFCCVEGCSA-N 0 3 205.301 3.092 20 0 BGADHN c1coc(CN[C@H]2CC23CCCCC3)c1 ZINC000386943414 363073845 /nfs/dbraw/zinc/07/38/45/363073845.db2.gz UZBUAAVJMWKCSZ-LBPRGKRZSA-N 0 3 205.301 3.092 20 0 BGADHN Cc1ncsc1CN[C@@H]1CC12CCCCC2 ZINC000386945715 363074305 /nfs/dbraw/zinc/07/43/05/363074305.db2.gz VLJLHLPVRTZFBJ-GFCCVEGCSA-N 0 3 236.384 3.264 20 0 BGADHN Cc1ncsc1CN[C@H]1CC12CCCCC2 ZINC000386945718 363073747 /nfs/dbraw/zinc/07/37/47/363073747.db2.gz VLJLHLPVRTZFBJ-LBPRGKRZSA-N 0 3 236.384 3.264 20 0 BGADHN Cc1nc(CN[C@@H]2CC23CCCC3)sc1C ZINC000386955415 711038726 /nfs/dbraw/zinc/03/87/26/711038726.db2.gz XQEMBQDVQRZPJP-LLVKDONJSA-N 0 3 236.384 3.182 20 0 BGADHN Cc1nc(CN[C@H]2CC23CCCC3)sc1C ZINC000386955416 711039373 /nfs/dbraw/zinc/03/93/73/711039373.db2.gz XQEMBQDVQRZPJP-NSHDSACASA-N 0 3 236.384 3.182 20 0 BGADHN COc1ccc(C)cc1CN[C@H]1CC12CCCC2 ZINC000386955636 368038039 /nfs/dbraw/zinc/03/80/39/368038039.db2.gz XRUNYBDHYQQBRQ-HNNXBMFYSA-N 0 3 245.366 3.426 20 0 BGADHN COc1ccc(C)cc1CN[C@@H]1CC12CCCC2 ZINC000386955639 368037583 /nfs/dbraw/zinc/03/75/83/368037583.db2.gz XRUNYBDHYQQBRQ-OAHLLOKOSA-N 0 3 245.366 3.426 20 0 BGADHN COc1ccccc1CN[C@H]1CC12CCCC2 ZINC000386973281 368040765 /nfs/dbraw/zinc/04/07/65/368040765.db2.gz CBGKSZNARONHDE-AWEZNQCLSA-N 0 3 231.339 3.118 20 0 BGADHN COc1ccccc1CN[C@@H]1CC12CCCC2 ZINC000386973282 368040714 /nfs/dbraw/zinc/04/07/14/368040714.db2.gz CBGKSZNARONHDE-CQSZACIVSA-N 0 3 231.339 3.118 20 0 BGADHN CCCn1cc(CN[C@H]2CC23CCCCC3)cn1 ZINC000386976843 363093850 /nfs/dbraw/zinc/09/38/50/363093850.db2.gz AQBHTIPGYKRDCG-AWEZNQCLSA-N 0 3 247.386 3.106 20 0 BGADHN CCCn1cc(CN[C@@H]2CC23CCCCC3)cn1 ZINC000386976845 363093811 /nfs/dbraw/zinc/09/38/11/363093811.db2.gz AQBHTIPGYKRDCG-CQSZACIVSA-N 0 3 247.386 3.106 20 0 BGADHN CC(C)n1cncc1CN[C@H]1CC12CCCCC2 ZINC000386991589 363172996 /nfs/dbraw/zinc/17/29/96/363172996.db2.gz FXLANIKXPIYMSE-AWEZNQCLSA-N 0 3 247.386 3.276 20 0 BGADHN CC(C)n1cncc1CN[C@@H]1CC12CCCCC2 ZINC000386991591 363173387 /nfs/dbraw/zinc/17/33/87/363173387.db2.gz FXLANIKXPIYMSE-CQSZACIVSA-N 0 3 247.386 3.276 20 0 BGADHN COCc1ccc(CN[C@H]2CC23CCCCC3)o1 ZINC000386993815 363173251 /nfs/dbraw/zinc/17/32/51/363173251.db2.gz GPDNXYIPKXSANL-AWEZNQCLSA-N 0 3 249.354 3.238 20 0 BGADHN COCc1ccc(CN[C@@H]2CC23CCCCC3)o1 ZINC000386993819 363172916 /nfs/dbraw/zinc/17/29/16/363172916.db2.gz GPDNXYIPKXSANL-CQSZACIVSA-N 0 3 249.354 3.238 20 0 BGADHN Fc1ccc(CN[C@@H]2CC23CCCC3)c(F)c1 ZINC000387011685 368042012 /nfs/dbraw/zinc/04/20/12/368042012.db2.gz NLPJVQKTSQVMCV-CYBMUJFWSA-N 0 3 237.293 3.387 20 0 BGADHN Fc1ccc(CN[C@H]2CC23CCCC3)c(F)c1 ZINC000387011688 368042369 /nfs/dbraw/zinc/04/23/69/368042369.db2.gz NLPJVQKTSQVMCV-ZDUSSCGKSA-N 0 3 237.293 3.387 20 0 BGADHN Fc1cccc(CN[C@@H]2CC23CCCC3)c1F ZINC000387021250 368041811 /nfs/dbraw/zinc/04/18/11/368041811.db2.gz OUORLOHYNFCTJM-GFCCVEGCSA-N 0 3 237.293 3.387 20 0 BGADHN Fc1cccc(CN[C@H]2CC23CCCC3)c1F ZINC000387021253 368042352 /nfs/dbraw/zinc/04/23/52/368042352.db2.gz OUORLOHYNFCTJM-LBPRGKRZSA-N 0 3 237.293 3.387 20 0 BGADHN CC(C)n1cc(CN[C@H]2CC23CCCCC3)cn1 ZINC000387023710 363372792 /nfs/dbraw/zinc/37/27/92/363372792.db2.gz MYYZKTLQACQXOV-AWEZNQCLSA-N 0 3 247.386 3.276 20 0 BGADHN CC(C)n1cc(CN[C@@H]2CC23CCCCC3)cn1 ZINC000387023714 363372604 /nfs/dbraw/zinc/37/26/04/363372604.db2.gz MYYZKTLQACQXOV-CQSZACIVSA-N 0 3 247.386 3.276 20 0 BGADHN CCCn1nccc1CN[C@H]1CC12CCCCC2 ZINC000387055199 363488444 /nfs/dbraw/zinc/48/84/44/363488444.db2.gz USOOYXSDFPJQMT-AWEZNQCLSA-N 0 3 247.386 3.106 20 0 BGADHN CCCn1nccc1CN[C@@H]1CC12CCCCC2 ZINC000387055202 363489019 /nfs/dbraw/zinc/48/90/19/363489019.db2.gz USOOYXSDFPJQMT-CQSZACIVSA-N 0 3 247.386 3.106 20 0 BGADHN Fc1cc(F)cc(CN[C@@H]2CC23CCCC3)c1 ZINC000387068024 368045813 /nfs/dbraw/zinc/04/58/13/368045813.db2.gz WNGJVIJLORZBEU-CYBMUJFWSA-N 0 3 237.293 3.387 20 0 BGADHN Fc1cc(F)cc(CN[C@H]2CC23CCCC3)c1 ZINC000387068027 368046646 /nfs/dbraw/zinc/04/66/46/368046646.db2.gz WNGJVIJLORZBEU-ZDUSSCGKSA-N 0 3 237.293 3.387 20 0 BGADHN Fc1ccc(F)c(CN[C@@H]2CC23CCCC3)c1 ZINC000387072632 368047229 /nfs/dbraw/zinc/04/72/29/368047229.db2.gz XIGGMUOTQLIAJV-CYBMUJFWSA-N 0 3 237.293 3.387 20 0 BGADHN Fc1ccc(F)c(CN[C@H]2CC23CCCC3)c1 ZINC000387072636 368047152 /nfs/dbraw/zinc/04/71/52/368047152.db2.gz XIGGMUOTQLIAJV-ZDUSSCGKSA-N 0 3 237.293 3.387 20 0 BGADHN Cc1ccc(CN[C@H]2CC23CCCCC3)nc1 ZINC000387131428 363512945 /nfs/dbraw/zinc/51/29/45/363512945.db2.gz MDHWOJVSPXEGOG-AWEZNQCLSA-N 0 3 230.355 3.202 20 0 BGADHN Cc1ccc(CN[C@@H]2CC23CCCCC3)nc1 ZINC000387131430 363512983 /nfs/dbraw/zinc/51/29/83/363512983.db2.gz MDHWOJVSPXEGOG-CQSZACIVSA-N 0 3 230.355 3.202 20 0 BGADHN Cc1noc(C)c1CN[C@@H]1CC12CCCCC2 ZINC000387147524 363521188 /nfs/dbraw/zinc/52/11/88/363521188.db2.gz OREMIIDUHJEBBY-CYBMUJFWSA-N 0 3 234.343 3.104 20 0 BGADHN Cc1noc(C)c1CN[C@H]1CC12CCCCC2 ZINC000387147528 363521820 /nfs/dbraw/zinc/52/18/20/363521820.db2.gz OREMIIDUHJEBBY-ZDUSSCGKSA-N 0 3 234.343 3.104 20 0 BGADHN N#Cc1csc(CN[C@@H]2CC23CCCCC3)c1 ZINC000387182443 363536630 /nfs/dbraw/zinc/53/66/30/363536630.db2.gz VKMKIJLIXSMXMK-CYBMUJFWSA-N 0 3 246.379 3.432 20 0 BGADHN N#Cc1csc(CN[C@H]2CC23CCCCC3)c1 ZINC000387182448 363536705 /nfs/dbraw/zinc/53/67/05/363536705.db2.gz VKMKIJLIXSMXMK-ZDUSSCGKSA-N 0 3 246.379 3.432 20 0 BGADHN Oc1cccc(CN[C@H]2CC23CCCCC3)c1 ZINC000387182450 363536766 /nfs/dbraw/zinc/53/67/66/363536766.db2.gz VKNVKKNDIDHPSN-AWEZNQCLSA-N 0 3 231.339 3.205 20 0 BGADHN Oc1cccc(CN[C@@H]2CC23CCCCC3)c1 ZINC000387182454 363536642 /nfs/dbraw/zinc/53/66/42/363536642.db2.gz VKNVKKNDIDHPSN-CQSZACIVSA-N 0 3 231.339 3.205 20 0 BGADHN C[C@H](N[C@H]1CC12CCCC2)c1ccc(F)cn1 ZINC000387264083 368139257 /nfs/dbraw/zinc/13/92/57/368139257.db2.gz LJDKIXBCJNWYFA-GWCFXTLKSA-N 0 3 234.318 3.204 20 0 BGADHN C[C@H](N[C@@H]1CC12CCCC2)c1ccc(F)cn1 ZINC000387264085 368138814 /nfs/dbraw/zinc/13/88/14/368138814.db2.gz LJDKIXBCJNWYFA-GXFFZTMASA-N 0 3 234.318 3.204 20 0 BGADHN C[C@@H](N[C@H]1CC12CCCC2)c1ccc(F)cn1 ZINC000387264087 368138963 /nfs/dbraw/zinc/13/89/63/368138963.db2.gz LJDKIXBCJNWYFA-MFKMUULPSA-N 0 3 234.318 3.204 20 0 BGADHN C[C@@H](N[C@@H]1CC12CCCC2)c1ccc(F)cn1 ZINC000387264089 368138887 /nfs/dbraw/zinc/13/88/87/368138887.db2.gz LJDKIXBCJNWYFA-ZWNOBZJWSA-N 0 3 234.318 3.204 20 0 BGADHN COc1ccc(CN[C@H]2CC23CCCC3)c(F)c1 ZINC000387294494 368142766 /nfs/dbraw/zinc/14/27/66/368142766.db2.gz OEQKHPFYFCKTFP-AWEZNQCLSA-N 0 3 249.329 3.257 20 0 BGADHN COc1ccc(CN[C@@H]2CC23CCCC3)c(F)c1 ZINC000387294497 368143463 /nfs/dbraw/zinc/14/34/63/368143463.db2.gz OEQKHPFYFCKTFP-CQSZACIVSA-N 0 3 249.329 3.257 20 0 BGADHN C[C@@H](N[C@@H]1CC12CCCC2)c1cccc(O)c1 ZINC000387344891 368158086 /nfs/dbraw/zinc/15/80/86/368158086.db2.gz UNEMXYAOUMCBNF-BXUZGUMPSA-N 0 3 231.339 3.376 20 0 BGADHN C[C@H](N[C@H]1CC12CCCC2)c1cccc(O)c1 ZINC000387344898 368156969 /nfs/dbraw/zinc/15/69/69/368156969.db2.gz UNEMXYAOUMCBNF-FZMZJTMJSA-N 0 3 231.339 3.376 20 0 BGADHN C[C@@H](N[C@H]1CC12CCCC2)c1cccc(O)c1 ZINC000387344900 368157391 /nfs/dbraw/zinc/15/73/91/368157391.db2.gz UNEMXYAOUMCBNF-RISCZKNCSA-N 0 3 231.339 3.376 20 0 BGADHN C[C@H](N[C@@H]1CC12CCCC2)c1cccc(O)c1 ZINC000387344903 368157603 /nfs/dbraw/zinc/15/76/03/368157603.db2.gz UNEMXYAOUMCBNF-SMDDNHRTSA-N 0 3 231.339 3.376 20 0 BGADHN COc1cccc(CN[C@@H]2CC23CCCC3)c1F ZINC000387385931 487920001 /nfs/dbraw/zinc/92/00/01/487920001.db2.gz ZDKKASJMQDYFHM-CYBMUJFWSA-N 0 3 249.329 3.257 20 0 BGADHN COc1cccc(CN[C@H]2CC23CCCC3)c1F ZINC000387385935 487920161 /nfs/dbraw/zinc/92/01/61/487920161.db2.gz ZDKKASJMQDYFHM-ZDUSSCGKSA-N 0 3 249.329 3.257 20 0 BGADHN CC[C@H](N[C@@H](C)c1cc2ccccc2o1)[C@H](C)O ZINC000387472515 368226127 /nfs/dbraw/zinc/22/61/27/368226127.db2.gz UCNPTGMSFPIRES-GVXVVHGQSA-N 0 3 247.338 3.243 20 0 BGADHN CC[C@H](N[C@@H](C)c1cc2ccccc2o1)[C@@H](C)O ZINC000387472518 368225845 /nfs/dbraw/zinc/22/58/45/368225845.db2.gz UCNPTGMSFPIRES-LOWVWBTDSA-N 0 3 247.338 3.243 20 0 BGADHN CC[C@H](N[C@H](C)c1cc2ccccc2o1)[C@H](C)O ZINC000387472522 368226389 /nfs/dbraw/zinc/22/63/89/368226389.db2.gz UCNPTGMSFPIRES-MDZLAQPJSA-N 0 3 247.338 3.243 20 0 BGADHN CC[C@H](N[C@H](C)c1cc2ccccc2o1)[C@@H](C)O ZINC000387472527 368226491 /nfs/dbraw/zinc/22/64/91/368226491.db2.gz UCNPTGMSFPIRES-WZRBSPASSA-N 0 3 247.338 3.243 20 0 BGADHN CC[C@@H](N[C@@H](C)c1ncc[nH]1)C1CCCC1 ZINC000387542679 487935342 /nfs/dbraw/zinc/93/53/42/487935342.db2.gz PMQPESIYKNTVTF-CMPLNLGQSA-N 0 3 221.348 3.029 20 0 BGADHN CC[C@H](N[C@@H](C)c1ncc[nH]1)C1CCCC1 ZINC000387542681 487935122 /nfs/dbraw/zinc/93/51/22/487935122.db2.gz PMQPESIYKNTVTF-JQWIXIFHSA-N 0 3 221.348 3.029 20 0 BGADHN CC[C@H](N[C@H](C)c1ncc[nH]1)C1CCCC1 ZINC000387542684 487935284 /nfs/dbraw/zinc/93/52/84/487935284.db2.gz PMQPESIYKNTVTF-PWSUYJOCSA-N 0 3 221.348 3.029 20 0 BGADHN CC[C@@H](N[C@H](C)c1ncc[nH]1)C1CCCC1 ZINC000387542687 487935329 /nfs/dbraw/zinc/93/53/29/487935329.db2.gz PMQPESIYKNTVTF-ZYHUDNBSSA-N 0 3 221.348 3.029 20 0 BGADHN CC[C@@H](NCc1cc(C)no1)C1CCCC1 ZINC000387551514 344803035 /nfs/dbraw/zinc/80/30/35/344803035.db2.gz UFEBCXIGVONMQX-CYBMUJFWSA-N 0 3 222.332 3.041 20 0 BGADHN CC[C@H](NCc1cc(C)no1)C1CCCC1 ZINC000387551517 344803126 /nfs/dbraw/zinc/80/31/26/344803126.db2.gz UFEBCXIGVONMQX-ZDUSSCGKSA-N 0 3 222.332 3.041 20 0 BGADHN CC[C@@H](NCc1oc(C)nc1C)C1CCCC1 ZINC000387561158 397916842 /nfs/dbraw/zinc/91/68/42/397916842.db2.gz XTNAGSVBFYBWET-CYBMUJFWSA-N 0 3 236.359 3.350 20 0 BGADHN CC[C@H](NCc1oc(C)nc1C)C1CCCC1 ZINC000387561159 397916899 /nfs/dbraw/zinc/91/68/99/397916899.db2.gz XTNAGSVBFYBWET-ZDUSSCGKSA-N 0 3 236.359 3.350 20 0 BGADHN CC[C@@H](NCc1ncc(C)o1)C1CCCC1 ZINC000387561565 397916829 /nfs/dbraw/zinc/91/68/29/397916829.db2.gz XZMWOEWWWXDLBW-GFCCVEGCSA-N 0 3 222.332 3.041 20 0 BGADHN CC[C@H](NCc1ncc(C)o1)C1CCCC1 ZINC000387561566 397916864 /nfs/dbraw/zinc/91/68/64/397916864.db2.gz XZMWOEWWWXDLBW-LBPRGKRZSA-N 0 3 222.332 3.041 20 0 BGADHN CC[C@@H]1C[C@H]1CNCc1cc(F)c(F)cc1F ZINC000387642677 346984900 /nfs/dbraw/zinc/98/49/00/346984900.db2.gz BGQMKTZEZPWJNY-BDAKNGLRSA-N 0 3 243.272 3.240 20 0 BGADHN CC[C@@H]1C[C@H]1CN[C@@H](C)c1csc(C)n1 ZINC000387652555 346990603 /nfs/dbraw/zinc/99/06/03/346990603.db2.gz DRYMBWBZNLSWOM-GDPRMGEGSA-N 0 3 224.373 3.148 20 0 BGADHN CC[C@@H]1C[C@H]1CN[C@H](C)c1csc(C)n1 ZINC000387652556 346991052 /nfs/dbraw/zinc/99/10/52/346991052.db2.gz DRYMBWBZNLSWOM-IEBDPFPHSA-N 0 3 224.373 3.148 20 0 BGADHN CC[C@@H](NCc1nccs1)C1CCCC1 ZINC000387691898 347022094 /nfs/dbraw/zinc/02/20/94/347022094.db2.gz VJOVWEQMXZSFDF-LLVKDONJSA-N 0 3 224.373 3.202 20 0 BGADHN CC[C@H](NCc1nccs1)C1CCCC1 ZINC000387691909 347022587 /nfs/dbraw/zinc/02/25/87/347022587.db2.gz VJOVWEQMXZSFDF-NSHDSACASA-N 0 3 224.373 3.202 20 0 BGADHN CC[C@H](NC[C@@H]1C[C@H]1CC)c1ccc(F)cn1 ZINC000387738011 347046925 /nfs/dbraw/zinc/04/69/25/347046925.db2.gz VCARMPZTSAMMSL-MDZLAQPJSA-N 0 3 236.334 3.308 20 0 BGADHN CC[C@@H]1C[C@H]1CN[C@@H](C)c1ccc(C)o1 ZINC000387745969 347057973 /nfs/dbraw/zinc/05/79/73/347057973.db2.gz XNJAQBIUWFIGBJ-TUAOUCFPSA-N 0 3 207.317 3.285 20 0 BGADHN CC[C@@H]1C[C@H]1CN[C@H](C)c1ccc(C)o1 ZINC000387745971 347058493 /nfs/dbraw/zinc/05/84/93/347058493.db2.gz XNJAQBIUWFIGBJ-UTUOFQBUSA-N 0 3 207.317 3.285 20 0 BGADHN CC(C)c1ccc(CN2C[C@H](O)C(C)(C)C2)cc1 ZINC000387877781 347116794 /nfs/dbraw/zinc/11/67/94/347116794.db2.gz OOVLWAQUVDDEQE-HNNXBMFYSA-N 0 3 247.382 3.013 20 0 BGADHN CC(C)c1ccc(CN2C[C@@H](O)C(C)(C)C2)cc1 ZINC000387877784 347116762 /nfs/dbraw/zinc/11/67/62/347116762.db2.gz OOVLWAQUVDDEQE-OAHLLOKOSA-N 0 3 247.382 3.013 20 0 BGADHN CC[C@@H]1C[C@H]1CNCc1ccc(Cl)o1 ZINC000387899280 347125099 /nfs/dbraw/zinc/12/50/99/347125099.db2.gz ZROMJUNOLAIQGA-BDAKNGLRSA-N 0 3 213.708 3.069 20 0 BGADHN CC[C@@H]1C[C@H]1CNCc1ccc(F)cc1F ZINC000387972692 347139210 /nfs/dbraw/zinc/13/92/10/347139210.db2.gz GOQRLJVTLPLTFC-KOLCDFICSA-N 0 3 225.282 3.101 20 0 BGADHN CC[C@@H]1C[C@H]1CNCc1cccc(F)c1F ZINC000387996747 347147180 /nfs/dbraw/zinc/14/71/80/347147180.db2.gz LNHKQCZCUOQODE-KOLCDFICSA-N 0 3 225.282 3.101 20 0 BGADHN CC[C@@H]1C[C@H]1CNCc1c(F)cccc1F ZINC000388005673 347150438 /nfs/dbraw/zinc/15/04/38/347150438.db2.gz MUYRDEQNHXZONR-ZJUUUORDSA-N 0 3 225.282 3.101 20 0 BGADHN CC[C@@H]1C[C@H]1CN[C@@H](C)c1nc(C)sc1C ZINC000388010805 397942518 /nfs/dbraw/zinc/94/25/18/397942518.db2.gz NJNLNMFJPCJSAJ-AXTRIDKLSA-N 0 3 238.400 3.457 20 0 BGADHN CC[C@@H]1C[C@H]1CN[C@H](C)c1nc(C)sc1C ZINC000388010822 397942328 /nfs/dbraw/zinc/94/23/28/397942328.db2.gz NJNLNMFJPCJSAJ-FXAINCCUSA-N 0 3 238.400 3.457 20 0 BGADHN CC[C@@H]1C[C@H]1CNCc1cc(F)ccc1F ZINC000388116754 347193138 /nfs/dbraw/zinc/19/31/38/347193138.db2.gz ZJYVTFHTOONCBH-ZJUUUORDSA-N 0 3 225.282 3.101 20 0 BGADHN CO[C@@H]([C@@H](C)N[C@H](C)c1ccsc1)C1CC1 ZINC000388248709 347265184 /nfs/dbraw/zinc/26/51/84/347265184.db2.gz VCMSFMFATBMHNB-BREBYQMCSA-N 0 3 239.384 3.212 20 0 BGADHN CO[C@@H]([C@@H](C)N[C@@H](C)c1ccsc1)C1CC1 ZINC000388248710 347265329 /nfs/dbraw/zinc/26/53/29/347265329.db2.gz VCMSFMFATBMHNB-CWSCBRNRSA-N 0 3 239.384 3.212 20 0 BGADHN CO[C@@H]([C@H](C)N[C@@H](C)c1ccsc1)C1CC1 ZINC000388248711 347265575 /nfs/dbraw/zinc/26/55/75/347265575.db2.gz VCMSFMFATBMHNB-KWBADKCTSA-N 0 3 239.384 3.212 20 0 BGADHN CO[C@@H]([C@H](C)N[C@H](C)c1ccsc1)C1CC1 ZINC000388248712 347265257 /nfs/dbraw/zinc/26/52/57/347265257.db2.gz VCMSFMFATBMHNB-NRUUGDAUSA-N 0 3 239.384 3.212 20 0 BGADHN CC[C@@H](NC[C@@H]1C[C@H]1CC)c1ccc(F)cn1 ZINC000388263018 347275815 /nfs/dbraw/zinc/27/58/15/347275815.db2.gz VCARMPZTSAMMSL-NTZNESFSSA-N 0 3 236.334 3.308 20 0 BGADHN CO[C@@H]([C@@H](C)N[C@H]1CCCc2occc21)C1CC1 ZINC000388271944 347282025 /nfs/dbraw/zinc/28/20/25/347282025.db2.gz GPGXHLXQLFPYSV-DGFSRKRXSA-N 0 3 249.354 3.060 20 0 BGADHN CO[C@@H]([C@H](C)N[C@H]1CCCc2occc21)C1CC1 ZINC000388271945 347282177 /nfs/dbraw/zinc/28/21/77/347282177.db2.gz GPGXHLXQLFPYSV-XEGUGMAKSA-N 0 3 249.354 3.060 20 0 BGADHN CO[C@@H]([C@@H](C)N[C@@H]1CCCc2occc21)C1CC1 ZINC000388271946 347281740 /nfs/dbraw/zinc/28/17/40/347281740.db2.gz GPGXHLXQLFPYSV-YVLXSGLVSA-N 0 3 249.354 3.060 20 0 BGADHN CO[C@@H]([C@H](C)N[C@@H]1CCCc2occc21)C1CC1 ZINC000388271947 347281822 /nfs/dbraw/zinc/28/18/22/347281822.db2.gz GPGXHLXQLFPYSV-ZBINZKHDSA-N 0 3 249.354 3.060 20 0 BGADHN CO[C@@H]([C@@H](C)N[C@H](C)c1ccc(C)o1)C1CC1 ZINC000388327578 347320945 /nfs/dbraw/zinc/32/09/45/347320945.db2.gz COHGWLZTSHJGLN-GYSYKLTISA-N 0 3 237.343 3.052 20 0 BGADHN CO[C@@H]([C@H](C)N[C@@H](C)c1ccc(C)o1)C1CC1 ZINC000388327594 347321097 /nfs/dbraw/zinc/32/10/97/347321097.db2.gz COHGWLZTSHJGLN-MJVIPROJSA-N 0 3 237.343 3.052 20 0 BGADHN CO[C@@H]([C@H](C)N[C@H](C)c1ccc(C)o1)C1CC1 ZINC000388327599 347320794 /nfs/dbraw/zinc/32/07/94/347320794.db2.gz COHGWLZTSHJGLN-SUNKGSAMSA-N 0 3 237.343 3.052 20 0 BGADHN CO[C@@H]([C@@H](C)N[C@@H](C)c1ccc(C)o1)C1CC1 ZINC000388327604 347320656 /nfs/dbraw/zinc/32/06/56/347320656.db2.gz COHGWLZTSHJGLN-WDMOLILDSA-N 0 3 237.343 3.052 20 0 BGADHN CCOCCCCNCc1cccc(C)c1F ZINC000388378365 347373577 /nfs/dbraw/zinc/37/35/77/347373577.db2.gz GSWHILDDPLHOCJ-UHFFFAOYSA-N 0 3 239.334 3.040 20 0 BGADHN CCCCNCc1ccsc1Br ZINC000388394491 347382641 /nfs/dbraw/zinc/38/26/41/347382641.db2.gz GFXSAKWZBAIMQL-UHFFFAOYSA-N 0 3 248.189 3.400 20 0 BGADHN CC[C@@H]1CCC[C@@H]1N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000388701741 346901100 /nfs/dbraw/zinc/90/11/00/346901100.db2.gz NJBUHVCSHGRREH-FVCCEPFGSA-N 0 3 233.359 3.057 20 0 BGADHN CC[C@@H]1CCC[C@@H]1N[C@H]1C[C@@H](C)n2ccnc21 ZINC000388701742 346900854 /nfs/dbraw/zinc/90/08/54/346900854.db2.gz NJBUHVCSHGRREH-NDBYEHHHSA-N 0 3 233.359 3.057 20 0 BGADHN CC[C@@H]1CCC[C@@H]1N[C@@H]1C[C@H](C)n2ccnc21 ZINC000388701744 346900849 /nfs/dbraw/zinc/90/08/49/346900849.db2.gz NJBUHVCSHGRREH-QNWHQSFQSA-N 0 3 233.359 3.057 20 0 BGADHN CC[C@@H]1CCC[C@@H]1N[C@H]1C[C@H](C)n2ccnc21 ZINC000388701746 346901147 /nfs/dbraw/zinc/90/11/47/346901147.db2.gz NJBUHVCSHGRREH-RNJOBUHISA-N 0 3 233.359 3.057 20 0 BGADHN C[C@@H]1C[C@H](NC[C@@H]2CCCC2(C)C)c2nccn21 ZINC000388841170 353778126 /nfs/dbraw/zinc/77/81/26/353778126.db2.gz DQCPEFYRFNOYCX-AGIUHOORSA-N 0 3 247.386 3.305 20 0 BGADHN C[C@@H]1C[C@@H](NC[C@@H]2CCCC2(C)C)c2nccn21 ZINC000388841172 353778240 /nfs/dbraw/zinc/77/82/40/353778240.db2.gz DQCPEFYRFNOYCX-FRRDWIJNSA-N 0 3 247.386 3.305 20 0 BGADHN C[C@@H]1C[C@@H](NC[C@H]2CCCC2(C)C)c2nccn21 ZINC000388841174 353778207 /nfs/dbraw/zinc/77/82/07/353778207.db2.gz DQCPEFYRFNOYCX-JHJVBQTASA-N 0 3 247.386 3.305 20 0 BGADHN C[C@@H]1C[C@H](NC[C@H]2CCCC2(C)C)c2nccn21 ZINC000388841177 353778406 /nfs/dbraw/zinc/77/84/06/353778406.db2.gz DQCPEFYRFNOYCX-UPJWGTAASA-N 0 3 247.386 3.305 20 0 BGADHN CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc([O-])c(F)c1 ZINC000388858805 711069236 /nfs/dbraw/zinc/06/92/36/711069236.db2.gz DGUKLLCSTGAZGG-AAEUAGOBSA-N 0 3 237.318 3.200 20 0 BGADHN CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc([O-])c(F)c1 ZINC000388858807 711069368 /nfs/dbraw/zinc/06/93/68/711069368.db2.gz DGUKLLCSTGAZGG-DGCLKSJQSA-N 0 3 237.318 3.200 20 0 BGADHN CC[C@H]1CCC[C@H]1[NH2+]Cc1ccc([O-])c(F)c1 ZINC000388858809 711069412 /nfs/dbraw/zinc/06/94/12/711069412.db2.gz DGUKLLCSTGAZGG-WCQYABFASA-N 0 3 237.318 3.200 20 0 BGADHN CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc([O-])c(F)c1 ZINC000388858810 711069538 /nfs/dbraw/zinc/06/95/38/711069538.db2.gz DGUKLLCSTGAZGG-YPMHNXCESA-N 0 3 237.318 3.200 20 0 BGADHN Cc1nc(C)c([C@@H](C)NC/C=C\Cl)s1 ZINC000389165412 712687142 /nfs/dbraw/zinc/68/71/42/712687142.db2.gz PWWPNJJLPCIODU-IQXGSHKSSA-N 0 3 230.764 3.163 20 0 BGADHN Cc1nc(C)c([C@H](C)NC/C=C\Cl)s1 ZINC000389165413 712687136 /nfs/dbraw/zinc/68/71/36/712687136.db2.gz PWWPNJJLPCIODU-MJSGSUOKSA-N 0 3 230.764 3.163 20 0 BGADHN CCC[C@@H](C)CNCc1ccc(Cl)o1 ZINC000389222520 539015775 /nfs/dbraw/zinc/01/57/75/539015775.db2.gz NYEWDGHXWSGWOI-SECBINFHSA-N 0 3 215.724 3.459 20 0 BGADHN CCC[C@H](C)CNCc1ccc(Cl)o1 ZINC000389222521 539015673 /nfs/dbraw/zinc/01/56/73/539015673.db2.gz NYEWDGHXWSGWOI-VIFPVBQESA-N 0 3 215.724 3.459 20 0 BGADHN FC1(CNCCc2ccc(Cl)s2)CC1 ZINC000389227211 355932414 /nfs/dbraw/zinc/93/24/14/355932414.db2.gz QZSLZUYFTDQBDY-UHFFFAOYSA-N 0 3 233.739 3.036 20 0 BGADHN CC(C)=CCCNCc1ccc(Cl)o1 ZINC000389244331 355935334 /nfs/dbraw/zinc/93/53/34/355935334.db2.gz ZVYJDGDMZZALKL-UHFFFAOYSA-N 0 3 213.708 3.379 20 0 BGADHN CC(C)C(C)(C)NCc1ccc(Cl)o1 ZINC000389260158 355937920 /nfs/dbraw/zinc/93/79/20/355937920.db2.gz HRRVGKNFDXONNS-UHFFFAOYSA-N 0 3 215.724 3.457 20 0 BGADHN Cc1cnc(CNC(C(C)C)C(C)C)s1 ZINC000389377861 539016157 /nfs/dbraw/zinc/01/61/57/539016157.db2.gz BLHCICVWMWMQOZ-UHFFFAOYSA-N 0 3 226.389 3.222 20 0 BGADHN Clc1ccsc1CNCC[C@H]1CCCO1 ZINC000389409643 539016836 /nfs/dbraw/zinc/01/68/36/539016836.db2.gz OARVTNDHHVWWNV-SECBINFHSA-N 0 3 245.775 3.060 20 0 BGADHN Cc1ccc([O-])c(C[NH2+]CC2CCCCCC2)n1 ZINC000389423365 356659414 /nfs/dbraw/zinc/65/94/14/356659414.db2.gz BSPOAXNVEFTIQA-UHFFFAOYSA-N 0 3 248.370 3.156 20 0 BGADHN CCC1(NCc2snnc2C)CCCCC1 ZINC000389448569 398326685 /nfs/dbraw/zinc/32/66/85/398326685.db2.gz GOPXXKYQEPXENL-UHFFFAOYSA-N 0 3 239.388 3.049 20 0 BGADHN COc1cccc(CNCC2CCCCCC2)n1 ZINC000389451498 356675987 /nfs/dbraw/zinc/67/59/87/356675987.db2.gz HISGTNDLUYKASA-UHFFFAOYSA-N 0 3 248.370 3.150 20 0 BGADHN CCC1(NCc2cc(C)no2)CCCCC1 ZINC000389461986 398096090 /nfs/dbraw/zinc/09/60/90/398096090.db2.gz JYGKSUXRYSEVOC-UHFFFAOYSA-N 0 3 222.332 3.186 20 0 BGADHN C[C@@H](N[C@H]1CCC[C@@H](C)[C@H]1C)C(C)(F)F ZINC000389479775 356686614 /nfs/dbraw/zinc/68/66/14/356686614.db2.gz DRVRFFBIXFDKDC-DBIOUOCHSA-N 0 3 219.319 3.444 20 0 BGADHN C[C@H](N[C@H]1CCC[C@@H](C)[C@@H]1C)C(C)(F)F ZINC000389479777 356687203 /nfs/dbraw/zinc/68/72/03/356687203.db2.gz DRVRFFBIXFDKDC-RCWTZXSCSA-N 0 3 219.319 3.444 20 0 BGADHN C[C@@H](N[C@H]1CCC[C@@H](C)[C@@H]1C)C(C)(F)F ZINC000389479779 356686593 /nfs/dbraw/zinc/68/65/93/356686593.db2.gz DRVRFFBIXFDKDC-YTWAJWBKSA-N 0 3 219.319 3.444 20 0 BGADHN C[C@H](N[C@H]1CCC[C@@H](C)[C@H]1C)C(C)(F)F ZINC000389479780 356686754 /nfs/dbraw/zinc/68/67/54/356686754.db2.gz DRVRFFBIXFDKDC-ZNSHCXBVSA-N 0 3 219.319 3.444 20 0 BGADHN C[C@@H](N[C@@H]1C[C@H](C)CC[C@@H]1C)C(C)(F)F ZINC000389488068 356690664 /nfs/dbraw/zinc/69/06/64/356690664.db2.gz ONYPSRVNWHIHGZ-LMLFDSFASA-N 0 3 219.319 3.444 20 0 BGADHN C[C@H](N[C@H]1C[C@H](C)CC[C@@H]1C)C(C)(F)F ZINC000389488069 356691886 /nfs/dbraw/zinc/69/18/86/356691886.db2.gz ONYPSRVNWHIHGZ-RCWTZXSCSA-N 0 3 219.319 3.444 20 0 BGADHN C[C@H](N[C@@H]1C[C@H](C)CC[C@@H]1C)C(C)(F)F ZINC000389488071 356692129 /nfs/dbraw/zinc/69/21/29/356692129.db2.gz ONYPSRVNWHIHGZ-VPOLOUISSA-N 0 3 219.319 3.444 20 0 BGADHN C[C@@H](N[C@H]1C[C@H](C)CC[C@@H]1C)C(C)(F)F ZINC000389488074 356692453 /nfs/dbraw/zinc/69/24/53/356692453.db2.gz ONYPSRVNWHIHGZ-YTWAJWBKSA-N 0 3 219.319 3.444 20 0 BGADHN Cc1nccnc1[C@@H](C)NCC1CCCCCC1 ZINC000389505577 356694581 /nfs/dbraw/zinc/69/45/81/356694581.db2.gz XVVXMORVMMLWOX-CYBMUJFWSA-N 0 3 247.386 3.406 20 0 BGADHN Cc1nccnc1[C@H](C)NCC1CCCCCC1 ZINC000389505583 356694647 /nfs/dbraw/zinc/69/46/47/356694647.db2.gz XVVXMORVMMLWOX-ZDUSSCGKSA-N 0 3 247.386 3.406 20 0 BGADHN C[C@@H](NCC1CCCCCC1)c1cnccn1 ZINC000389569780 356992326 /nfs/dbraw/zinc/99/23/26/356992326.db2.gz AKSRVBYMGZHWJW-GFCCVEGCSA-N 0 3 233.359 3.098 20 0 BGADHN C[C@H](NCC1CCCCCC1)c1cnccn1 ZINC000389569785 356992829 /nfs/dbraw/zinc/99/28/29/356992829.db2.gz AKSRVBYMGZHWJW-LBPRGKRZSA-N 0 3 233.359 3.098 20 0 BGADHN CC1(CNCc2ccnc(Cl)c2Cl)CC1 ZINC000389608958 711082614 /nfs/dbraw/zinc/08/26/14/711082614.db2.gz CTDWAHCSGUQJGV-UHFFFAOYSA-N 0 3 245.153 3.278 20 0 BGADHN CCn1ccnc1CNC1(CC)CCCCC1 ZINC000389631385 398118224 /nfs/dbraw/zinc/11/82/24/398118224.db2.gz KEKZIGQRWXAMKA-UHFFFAOYSA-N 0 3 235.375 3.106 20 0 BGADHN CC1(C)CC[C@H]1NCc1ccncc1Cl ZINC000389653539 488104623 /nfs/dbraw/zinc/10/46/23/488104623.db2.gz XMJHNSSHESHMLA-LLVKDONJSA-N 0 3 224.735 3.013 20 0 BGADHN CC1(C)CC[C@@H]1NCc1ccncc1Cl ZINC000389653540 488104709 /nfs/dbraw/zinc/10/47/09/488104709.db2.gz XMJHNSSHESHMLA-NSHDSACASA-N 0 3 224.735 3.013 20 0 BGADHN C[C@@H]1CC[C@@H]1NCc1ccnc(Cl)c1Cl ZINC000389658120 711084937 /nfs/dbraw/zinc/08/49/37/711084937.db2.gz ZWYAYCFFJXXDHP-APPZFPTMSA-N 0 3 245.153 3.277 20 0 BGADHN C[C@H]1CC[C@@H]1NCc1ccnc(Cl)c1Cl ZINC000389658121 711085008 /nfs/dbraw/zinc/08/50/08/711085008.db2.gz ZWYAYCFFJXXDHP-CBAPKCEASA-N 0 3 245.153 3.277 20 0 BGADHN C[C@H]1CC[C@H]1NCc1ccnc(Cl)c1Cl ZINC000389658122 711085677 /nfs/dbraw/zinc/08/56/77/711085677.db2.gz ZWYAYCFFJXXDHP-IONNQARKSA-N 0 3 245.153 3.277 20 0 BGADHN C[C@@H]1CC[C@H]1NCc1ccnc(Cl)c1Cl ZINC000389658123 711085419 /nfs/dbraw/zinc/08/54/19/711085419.db2.gz ZWYAYCFFJXXDHP-VXNVDRBHSA-N 0 3 245.153 3.277 20 0 BGADHN C[C@@H](NCC1CCCCCC1)c1nccn1C ZINC000389683416 357015382 /nfs/dbraw/zinc/01/53/82/357015382.db2.gz ZGBQOYOOFZWVBY-GFCCVEGCSA-N 0 3 235.375 3.041 20 0 BGADHN C[C@H](NCC1CCCCCC1)c1nccn1C ZINC000389683417 357015399 /nfs/dbraw/zinc/01/53/99/357015399.db2.gz ZGBQOYOOFZWVBY-LBPRGKRZSA-N 0 3 235.375 3.041 20 0 BGADHN C[C@@H](NCC1CCCCCC1)c1ccncn1 ZINC000389687518 357014516 /nfs/dbraw/zinc/01/45/16/357014516.db2.gz ARFPELIUCZGGBQ-GFCCVEGCSA-N 0 3 233.359 3.098 20 0 BGADHN C[C@H](NCC1CCCCCC1)c1ccncn1 ZINC000389687521 357014431 /nfs/dbraw/zinc/01/44/31/357014431.db2.gz ARFPELIUCZGGBQ-LBPRGKRZSA-N 0 3 233.359 3.098 20 0 BGADHN CCC1(NCc2cscn2)CCCCC1 ZINC000389760003 358429605 /nfs/dbraw/zinc/42/96/05/358429605.db2.gz PBCJYELACZAFBC-UHFFFAOYSA-N 0 3 224.373 3.346 20 0 BGADHN CCC1(NCc2nccs2)CCCCC1 ZINC000389766954 398137354 /nfs/dbraw/zinc/13/73/54/398137354.db2.gz RMNZISOHMPDJOY-UHFFFAOYSA-N 0 3 224.373 3.346 20 0 BGADHN CCc1ccc(CNC(C)(C)CF)cc1 ZINC000389846534 357053875 /nfs/dbraw/zinc/05/38/75/357053875.db2.gz OHPGMDQSJNYOKH-UHFFFAOYSA-N 0 3 209.308 3.087 20 0 BGADHN Cc1cc([C@H](C)NC2CC=CC2)oc1C ZINC000389867538 488120974 /nfs/dbraw/zinc/12/09/74/488120974.db2.gz HOFQJXDIBXVSLY-JTQLQIEISA-N 0 3 205.301 3.266 20 0 BGADHN Cc1cc([C@@H](C)NC2CC=CC2)oc1C ZINC000389867540 488120942 /nfs/dbraw/zinc/12/09/42/488120942.db2.gz HOFQJXDIBXVSLY-SNVBAGLBSA-N 0 3 205.301 3.266 20 0 BGADHN C[C@@H](NC1CC=CC1)c1ccc(Cl)cn1 ZINC000389882884 539018067 /nfs/dbraw/zinc/01/80/67/539018067.db2.gz PJCURUYPSJHVCP-SECBINFHSA-N 0 3 222.719 3.104 20 0 BGADHN C[C@H](NC1CC=CC1)c1ccc(Cl)cn1 ZINC000389882887 539018053 /nfs/dbraw/zinc/01/80/53/539018053.db2.gz PJCURUYPSJHVCP-VIFPVBQESA-N 0 3 222.719 3.104 20 0 BGADHN C[C@H](CNC(C)(C)CF)c1ccccc1 ZINC000389885409 357059814 /nfs/dbraw/zinc/05/98/14/357059814.db2.gz RCPKRCQLEUWGSV-LLVKDONJSA-N 0 3 209.308 3.128 20 0 BGADHN C[C@@H](CNC(C)(C)CF)c1ccccc1 ZINC000389885410 357059686 /nfs/dbraw/zinc/05/96/86/357059686.db2.gz RCPKRCQLEUWGSV-NSHDSACASA-N 0 3 209.308 3.128 20 0 BGADHN CC(C)[C@@H](NC1CSC1)c1ccccc1 ZINC000389889324 539018441 /nfs/dbraw/zinc/01/84/41/539018441.db2.gz UUOMFROAKOUTBT-CYBMUJFWSA-N 0 3 221.369 3.089 20 0 BGADHN CC(C)[C@H](NC1CSC1)c1ccccc1 ZINC000389889325 539018468 /nfs/dbraw/zinc/01/84/68/539018468.db2.gz UUOMFROAKOUTBT-ZDUSSCGKSA-N 0 3 221.369 3.089 20 0 BGADHN Clc1ccccc1CNC1(C2CC2)CC1 ZINC000389898077 357063062 /nfs/dbraw/zinc/06/30/62/357063062.db2.gz BJTZLRCDAIXEBT-UHFFFAOYSA-N 0 3 221.731 3.372 20 0 BGADHN C[C@@H](NCC1CC(C)(C)C1)c1cscn1 ZINC000389898495 357063129 /nfs/dbraw/zinc/06/31/29/357063129.db2.gz AEZGNZAILLKMTA-SECBINFHSA-N 0 3 224.373 3.230 20 0 BGADHN C[C@H](NCC1CC(C)(C)C1)c1cscn1 ZINC000389898496 357062811 /nfs/dbraw/zinc/06/28/11/357062811.db2.gz AEZGNZAILLKMTA-VIFPVBQESA-N 0 3 224.373 3.230 20 0 BGADHN CC(C)C(C)(C)NCc1ccncc1Cl ZINC000389900392 539018454 /nfs/dbraw/zinc/01/84/54/539018454.db2.gz CTWJOFFNXKBSHZ-UHFFFAOYSA-N 0 3 226.751 3.259 20 0 BGADHN COc1ccsc1[C@@H](C)NC1CC=CC1 ZINC000389911051 539018575 /nfs/dbraw/zinc/01/85/75/539018575.db2.gz JFDQLRSGCBDMOH-SECBINFHSA-N 0 3 223.341 3.126 20 0 BGADHN COc1ccsc1[C@H](C)NC1CC=CC1 ZINC000389911052 539018371 /nfs/dbraw/zinc/01/83/71/539018371.db2.gz JFDQLRSGCBDMOH-VIFPVBQESA-N 0 3 223.341 3.126 20 0 BGADHN CC[C@H]1CC[C@H](NCc2nccs2)CC1 ZINC000389915375 397998181 /nfs/dbraw/zinc/99/81/81/397998181.db2.gz MPTNHGYVKIYMAR-XYPYZODXSA-N 0 3 224.373 3.202 20 0 BGADHN Clc1ccc(CNC[C@@H]2C[C@H]2C2CC2)o1 ZINC000389945912 357073168 /nfs/dbraw/zinc/07/31/68/357073168.db2.gz QNFFVFGTEGJOHN-ONGXEEELSA-N 0 3 225.719 3.069 20 0 BGADHN C[C@@H](N[C@H](C)c1cccs1)c1ccc[nH]1 ZINC000389966720 711100939 /nfs/dbraw/zinc/10/09/39/711100939.db2.gz XWLBCMQCYRNAOS-NXEZZACHSA-N 0 3 220.341 3.488 20 0 BGADHN C[C@H](N[C@@H](C)c1cccs1)c1ccc[nH]1 ZINC000389966721 711101109 /nfs/dbraw/zinc/10/11/09/711101109.db2.gz XWLBCMQCYRNAOS-UWVGGRQHSA-N 0 3 220.341 3.488 20 0 BGADHN C[C@@H](N[C@@H](C)c1ccc[nH]1)c1cccs1 ZINC000389966722 711100913 /nfs/dbraw/zinc/10/09/13/711100913.db2.gz XWLBCMQCYRNAOS-VHSXEESVSA-N 0 3 220.341 3.488 20 0 BGADHN C[C@@H](N[C@@H](C)c1cccs1)c1ccc[nH]1 ZINC000389966723 711100849 /nfs/dbraw/zinc/10/08/49/711100849.db2.gz XWLBCMQCYRNAOS-ZJUUUORDSA-N 0 3 220.341 3.488 20 0 BGADHN CCOC1CC(NCc2cscc2Cl)C1 ZINC000389968769 711100642 /nfs/dbraw/zinc/10/06/42/711100642.db2.gz YSAMPXWHKXZTLZ-UHFFFAOYSA-N 0 3 245.775 3.059 20 0 BGADHN C[C@@H](N[C@@H]1CCC(F)(F)C1)c1ccoc1 ZINC000389982275 539019444 /nfs/dbraw/zinc/01/94/44/539019444.db2.gz JVKVGPZXWVBHCS-PSASIEDQSA-N 0 3 215.243 3.118 20 0 BGADHN C[C@@H](N[C@H]1CCC(F)(F)C1)c1ccoc1 ZINC000389982276 539019513 /nfs/dbraw/zinc/01/95/13/539019513.db2.gz JVKVGPZXWVBHCS-SCZZXKLOSA-N 0 3 215.243 3.118 20 0 BGADHN C[C@H](N[C@@H]1CCC(F)(F)C1)c1ccoc1 ZINC000389982277 539019522 /nfs/dbraw/zinc/01/95/22/539019522.db2.gz JVKVGPZXWVBHCS-WCBMZHEXSA-N 0 3 215.243 3.118 20 0 BGADHN C[C@H](N[C@H]1CCC(F)(F)C1)c1ccoc1 ZINC000389982278 539019233 /nfs/dbraw/zinc/01/92/33/539019233.db2.gz JVKVGPZXWVBHCS-WPRPVWTQSA-N 0 3 215.243 3.118 20 0 BGADHN Clc1ccc(CN[C@H]2CCC23CCC3)o1 ZINC000389987119 488127862 /nfs/dbraw/zinc/12/78/62/488127862.db2.gz MPVDKIOFFPOWDD-JTQLQIEISA-N 0 3 225.719 3.355 20 0 BGADHN Clc1ccc(CN[C@@H]2CCC23CCC3)o1 ZINC000389987120 488127650 /nfs/dbraw/zinc/12/76/50/488127650.db2.gz MPVDKIOFFPOWDD-SNVBAGLBSA-N 0 3 225.719 3.355 20 0 BGADHN CCc1ccc(C(C)(C)NCCF)cc1 ZINC000389987128 357078199 /nfs/dbraw/zinc/07/81/99/357078199.db2.gz MQEGULILRLPUCJ-UHFFFAOYSA-N 0 3 209.308 3.043 20 0 BGADHN Cc1cc(CNCCC2=CCCC2)sn1 ZINC000389992441 539019303 /nfs/dbraw/zinc/01/93/03/539019303.db2.gz OXEORUKZBHLSCK-UHFFFAOYSA-N 0 3 222.357 3.042 20 0 BGADHN Cc1cc(C)cc([C@@H](C)NC2CSC2)c1 ZINC000390001706 539020101 /nfs/dbraw/zinc/02/01/01/539020101.db2.gz TZFKUTXKBHQOQU-LLVKDONJSA-N 0 3 221.369 3.069 20 0 BGADHN Cc1cc(C)cc([C@H](C)NC2CSC2)c1 ZINC000390001708 539019758 /nfs/dbraw/zinc/01/97/58/539019758.db2.gz TZFKUTXKBHQOQU-NSHDSACASA-N 0 3 221.369 3.069 20 0 BGADHN Clc1cscc1CNC[C@@H]1CCC=CO1 ZINC000390006671 711103365 /nfs/dbraw/zinc/10/33/65/711103365.db2.gz XANOUVFFZQXQLP-JTQLQIEISA-N 0 3 243.759 3.184 20 0 BGADHN Clc1cscc1CNC[C@H]1CCC=CO1 ZINC000390006672 712693764 /nfs/dbraw/zinc/69/37/64/712693764.db2.gz XANOUVFFZQXQLP-SNVBAGLBSA-N 0 3 243.759 3.184 20 0 BGADHN COCC(C)(C)CNCc1cscc1Cl ZINC000390009125 398155447 /nfs/dbraw/zinc/15/54/47/398155447.db2.gz YEZLJHCWOJNPQP-UHFFFAOYSA-N 0 3 247.791 3.164 20 0 BGADHN CC(F)(F)CCCNCc1ccc(F)cc1F ZINC000390045919 357084756 /nfs/dbraw/zinc/08/47/56/357084756.db2.gz BRSCDCVEFRYCII-UHFFFAOYSA-N 0 3 249.251 3.490 20 0 BGADHN C[C@@H](NCCCC(C)(F)F)c1ccoc1 ZINC000390062955 357082541 /nfs/dbraw/zinc/08/25/41/357082541.db2.gz WLHSREXEHUMBTF-SECBINFHSA-N 0 3 217.259 3.366 20 0 BGADHN C[C@H](NCCCC(C)(F)F)c1ccoc1 ZINC000390062956 357082482 /nfs/dbraw/zinc/08/24/82/357082482.db2.gz WLHSREXEHUMBTF-VIFPVBQESA-N 0 3 217.259 3.366 20 0 BGADHN CC(F)(F)CCCNCc1ccc(Cl)o1 ZINC000390076612 323083430 /nfs/dbraw/zinc/08/34/30/323083430.db2.gz VHMATFGTEVQCBI-UHFFFAOYSA-N 0 3 237.677 3.458 20 0 BGADHN C[C@@H](NCCCC(C)(F)F)c1ccc(F)cn1 ZINC000390082586 323083395 /nfs/dbraw/zinc/08/33/95/323083395.db2.gz CYIXGNILYXYRHW-SECBINFHSA-N 0 3 246.276 3.307 20 0 BGADHN C[C@H](NCCCC(C)(F)F)c1ccc(F)cn1 ZINC000390082587 323083477 /nfs/dbraw/zinc/08/34/77/323083477.db2.gz CYIXGNILYXYRHW-VIFPVBQESA-N 0 3 246.276 3.307 20 0 BGADHN CC(C)=CCCNCc1c(F)cccc1F ZINC000390128613 259380694 /nfs/dbraw/zinc/38/06/94/259380694.db2.gz IYVIBVLQSNKSPR-UHFFFAOYSA-N 0 3 225.282 3.411 20 0 BGADHN CC(C)=CCCNCc1cc(F)ccc1F ZINC000390145242 259381080 /nfs/dbraw/zinc/38/10/80/259381080.db2.gz QQWFPCJDMWLVFC-UHFFFAOYSA-N 0 3 225.282 3.411 20 0 BGADHN CC(C)(C)[C@H](NCCF)c1ccc(F)cc1 ZINC000390160824 347266355 /nfs/dbraw/zinc/26/63/55/347266355.db2.gz ZOFKEBGHLOBEID-GFCCVEGCSA-N 0 3 227.298 3.472 20 0 BGADHN CC(C)(C)[C@@H](NCCF)c1ccc(F)cc1 ZINC000390160826 347266653 /nfs/dbraw/zinc/26/66/53/347266653.db2.gz ZOFKEBGHLOBEID-LBPRGKRZSA-N 0 3 227.298 3.472 20 0 BGADHN CC(C)=CCNC/C=C\c1ccc(F)cc1 ZINC000390171763 259381892 /nfs/dbraw/zinc/38/18/92/259381892.db2.gz HCKVZWUURBYFCK-ARJAWSKDSA-N 0 3 219.303 3.395 20 0 BGADHN CC(C)[C@@H](CSc1ccccc1)NCCF ZINC000390191885 259382002 /nfs/dbraw/zinc/38/20/02/259382002.db2.gz NTMKTJROQXCAHA-CYBMUJFWSA-N 0 3 241.375 3.362 20 0 BGADHN CC(C)[C@H](CSc1ccccc1)NCCF ZINC000390191887 259381990 /nfs/dbraw/zinc/38/19/90/259381990.db2.gz NTMKTJROQXCAHA-ZDUSSCGKSA-N 0 3 241.375 3.362 20 0 BGADHN Cc1nnsc1CNC(C)(C)CC(C)(C)C ZINC000390216706 357087222 /nfs/dbraw/zinc/08/72/22/357087222.db2.gz XKWHSKQCLWUZDM-UHFFFAOYSA-N 0 3 241.404 3.151 20 0 BGADHN CCc1ccc(CNCCCC(C)(F)F)o1 ZINC000390224461 259382571 /nfs/dbraw/zinc/38/25/71/259382571.db2.gz BIHPZQWRPAFBBY-UHFFFAOYSA-N 0 3 231.286 3.367 20 0 BGADHN Cc1ccc(CNC[C@H](C)C(F)(F)F)cc1 ZINC000390225351 259383243 /nfs/dbraw/zinc/38/32/43/259383243.db2.gz ARZMTFGUPIJVSY-JTQLQIEISA-N 0 3 231.261 3.283 20 0 BGADHN Cc1ccc(CNC[C@@H](C)C(F)(F)F)cc1 ZINC000390225355 259383054 /nfs/dbraw/zinc/38/30/54/259383054.db2.gz ARZMTFGUPIJVSY-SNVBAGLBSA-N 0 3 231.261 3.283 20 0 BGADHN CC(F)(F)CCCNCc1ccncc1Cl ZINC000390236603 371191543 /nfs/dbraw/zinc/19/15/43/371191543.db2.gz KYQYPVBGMBCREW-UHFFFAOYSA-N 0 3 248.704 3.260 20 0 BGADHN CC(C)=CCNC1(c2ccc(F)cc2)CC1 ZINC000390331247 259386368 /nfs/dbraw/zinc/38/63/68/259386368.db2.gz KPHVHMJEWYGKLA-UHFFFAOYSA-N 0 3 219.303 3.371 20 0 BGADHN CC(C)=CCCNCc1cccc(F)c1F ZINC000390350243 357089865 /nfs/dbraw/zinc/08/98/65/357089865.db2.gz PBEPMYKKEHNTSI-UHFFFAOYSA-N 0 3 225.282 3.411 20 0 BGADHN CCc1cccc(F)c1CN[C@H]1CC[C@@H]1C ZINC000390411136 259387698 /nfs/dbraw/zinc/38/76/98/259387698.db2.gz DVGPCESHNPHGRZ-HZMBPMFUSA-N 0 3 221.319 3.276 20 0 BGADHN CCc1cccc(F)c1CN[C@@H]1CC[C@@H]1C ZINC000390411137 259387847 /nfs/dbraw/zinc/38/78/47/259387847.db2.gz DVGPCESHNPHGRZ-IINYFYTJSA-N 0 3 221.319 3.276 20 0 BGADHN CCc1cccc(F)c1CN[C@@H]1CC[C@H]1C ZINC000390411141 259387668 /nfs/dbraw/zinc/38/76/68/259387668.db2.gz DVGPCESHNPHGRZ-QMTHXVAHSA-N 0 3 221.319 3.276 20 0 BGADHN CCc1cccc(F)c1CN[C@H]1CC[C@H]1C ZINC000390411142 259387763 /nfs/dbraw/zinc/38/77/63/259387763.db2.gz DVGPCESHNPHGRZ-YGRLFVJLSA-N 0 3 221.319 3.276 20 0 BGADHN C[C@@H]1C[C@@H]1CNC1(c2ccccc2F)CC1 ZINC000390418780 259387774 /nfs/dbraw/zinc/38/77/74/259387774.db2.gz ISQKAFDEDDOQII-GHMZBOCLSA-N 0 3 219.303 3.060 20 0 BGADHN C[C@@H]1C[C@H]1CNC1(c2ccccc2F)CC1 ZINC000390418781 259387673 /nfs/dbraw/zinc/38/76/73/259387673.db2.gz ISQKAFDEDDOQII-MNOVXSKESA-N 0 3 219.303 3.060 20 0 BGADHN C[C@H]1C[C@H]1CNC1(c2ccccc2F)CC1 ZINC000390419070 259387696 /nfs/dbraw/zinc/38/76/96/259387696.db2.gz ISQKAFDEDDOQII-QWRGUYRKSA-N 0 3 219.303 3.060 20 0 BGADHN C[C@H]1C[C@@H]1CNC1(c2ccccc2F)CC1 ZINC000390419072 259387748 /nfs/dbraw/zinc/38/77/48/259387748.db2.gz ISQKAFDEDDOQII-WDEREUQCSA-N 0 3 219.303 3.060 20 0 BGADHN C[C@@H]1CCC[C@H](CNCc2nccs2)[C@H]1C ZINC000390422632 539021787 /nfs/dbraw/zinc/02/17/87/539021787.db2.gz KPJNFPCFAWJTOW-GRYCIOLGSA-N 0 3 238.400 3.305 20 0 BGADHN C[C@@H]1CCC[C@H](CNCc2nccs2)[C@@H]1C ZINC000390422636 539021570 /nfs/dbraw/zinc/02/15/70/539021570.db2.gz KPJNFPCFAWJTOW-IJLUTSLNSA-N 0 3 238.400 3.305 20 0 BGADHN C[C@@H]1CCC[C@@H](CNCc2nccs2)[C@@H]1C ZINC000390422650 539021488 /nfs/dbraw/zinc/02/14/88/539021488.db2.gz KPJNFPCFAWJTOW-UTUOFQBUSA-N 0 3 238.400 3.305 20 0 BGADHN C[C@@H]1CCC[C@@H](CNCc2nccs2)[C@H]1C ZINC000390422658 539021523 /nfs/dbraw/zinc/02/15/23/539021523.db2.gz KPJNFPCFAWJTOW-WOPDTQHZSA-N 0 3 238.400 3.305 20 0 BGADHN CSC[C@H](C)N[C@H](C)c1ccc(C)nc1C ZINC000390428776 371201199 /nfs/dbraw/zinc/20/11/99/371201199.db2.gz OAGGGIBTJMBSAX-CMPLNLGQSA-N 0 3 238.400 3.101 20 0 BGADHN CSC[C@H](C)N[C@@H](C)c1ccc(C)nc1C ZINC000390428779 371201671 /nfs/dbraw/zinc/20/16/71/371201671.db2.gz OAGGGIBTJMBSAX-JQWIXIFHSA-N 0 3 238.400 3.101 20 0 BGADHN CSC[C@@H](C)N[C@@H](C)c1ccc(C)nc1C ZINC000390428780 371201227 /nfs/dbraw/zinc/20/12/27/371201227.db2.gz OAGGGIBTJMBSAX-PWSUYJOCSA-N 0 3 238.400 3.101 20 0 BGADHN CSC[C@@H](C)N[C@H](C)c1ccc(C)nc1C ZINC000390428991 371201873 /nfs/dbraw/zinc/20/18/73/371201873.db2.gz OAGGGIBTJMBSAX-ZYHUDNBSSA-N 0 3 238.400 3.101 20 0 BGADHN CSCCN[C@@H](c1ccc(C)o1)C1CCC1 ZINC000390432470 371201552 /nfs/dbraw/zinc/20/15/52/371201552.db2.gz AQPNWOTXXWGFLX-CYBMUJFWSA-N 0 3 239.384 3.382 20 0 BGADHN CSCCN[C@H](c1ccc(C)o1)C1CCC1 ZINC000390432474 371201364 /nfs/dbraw/zinc/20/13/64/371201364.db2.gz AQPNWOTXXWGFLX-ZDUSSCGKSA-N 0 3 239.384 3.382 20 0 BGADHN Cc1ccc(C)c(CN[C@@H]2CSC2(C)C)c1 ZINC000390433363 259388694 /nfs/dbraw/zinc/38/86/94/259388694.db2.gz BAHYCWNMFZBAIB-CYBMUJFWSA-N 0 3 235.396 3.287 20 0 BGADHN Cc1ccc(C)c(CN[C@H]2CSC2(C)C)c1 ZINC000390433403 259388717 /nfs/dbraw/zinc/38/87/17/259388717.db2.gz BAHYCWNMFZBAIB-ZDUSSCGKSA-N 0 3 235.396 3.287 20 0 BGADHN COC[C@H](CC(C)C)NCc1ccc(Cl)o1 ZINC000390445087 539022368 /nfs/dbraw/zinc/02/23/68/539022368.db2.gz XHZVGRZVAVMPCA-JTQLQIEISA-N 0 3 245.750 3.084 20 0 BGADHN COC[C@@H](CC(C)C)NCc1ccc(Cl)o1 ZINC000390445088 539022227 /nfs/dbraw/zinc/02/22/27/539022227.db2.gz XHZVGRZVAVMPCA-SNVBAGLBSA-N 0 3 245.750 3.084 20 0 BGADHN C[C@H](CNCC1(F)CC1)Sc1ccccc1 ZINC000390445832 357093503 /nfs/dbraw/zinc/09/35/03/357093503.db2.gz XLYCZDQUVVRKKT-LLVKDONJSA-N 0 3 239.359 3.259 20 0 BGADHN C[C@@H](CNCC1(F)CC1)Sc1ccccc1 ZINC000390445834 357093832 /nfs/dbraw/zinc/09/38/32/357093832.db2.gz XLYCZDQUVVRKKT-NSHDSACASA-N 0 3 239.359 3.259 20 0 BGADHN CO[C@H](CNCc1cc(C)sc1C)C(C)C ZINC000390446972 357093259 /nfs/dbraw/zinc/09/32/59/357093259.db2.gz XXCVIWOCTJPSNV-CYBMUJFWSA-N 0 3 241.400 3.126 20 0 BGADHN CO[C@@H](CNCc1cc(C)sc1C)C(C)C ZINC000390446975 357093700 /nfs/dbraw/zinc/09/37/00/357093700.db2.gz XXCVIWOCTJPSNV-ZDUSSCGKSA-N 0 3 241.400 3.126 20 0 BGADHN C[C@@H]1C[C@@H]1CN[C@@H]1COc2cccc(Cl)c21 ZINC000390450300 259389458 /nfs/dbraw/zinc/38/94/58/259389458.db2.gz ZKBSDCSNYVTXHY-FXPVBKGRSA-N 0 3 237.730 3.019 20 0 BGADHN C[C@@H]1C[C@@H]1CN[C@H]1COc2cccc(Cl)c21 ZINC000390450301 259389154 /nfs/dbraw/zinc/38/91/54/259389154.db2.gz ZKBSDCSNYVTXHY-KKZNHRDASA-N 0 3 237.730 3.019 20 0 BGADHN C[C@@H]1C[C@H]1CN[C@@H]1COc2cccc(Cl)c21 ZINC000390450302 259389317 /nfs/dbraw/zinc/38/93/17/259389317.db2.gz ZKBSDCSNYVTXHY-WCABBAIRSA-N 0 3 237.730 3.019 20 0 BGADHN C[C@@H]1C[C@H]1CN[C@H]1COc2cccc(Cl)c21 ZINC000390450307 259389082 /nfs/dbraw/zinc/38/90/82/259389082.db2.gz ZKBSDCSNYVTXHY-YWVKMMECSA-N 0 3 237.730 3.019 20 0 BGADHN C[C@@H](NC1(C2CC2)CC1)c1cccnc1Cl ZINC000390454710 711117231 /nfs/dbraw/zinc/11/72/31/711117231.db2.gz CIDVXWOHXHRSJT-SECBINFHSA-N 0 3 236.746 3.328 20 0 BGADHN C[C@H](NC1(C2CC2)CC1)c1cccnc1Cl ZINC000390454711 711117874 /nfs/dbraw/zinc/11/78/74/711117874.db2.gz CIDVXWOHXHRSJT-VIFPVBQESA-N 0 3 236.746 3.328 20 0 BGADHN CCc1nc(CNCC2CC(C)(C)C2)cs1 ZINC000390456828 357093811 /nfs/dbraw/zinc/09/38/11/357093811.db2.gz DFPHZWNDUFYJHF-UHFFFAOYSA-N 0 3 238.400 3.231 20 0 BGADHN Cc1cc([C@H](C)NC2(C3CC3)CC2)oc1C ZINC000390457331 357093554 /nfs/dbraw/zinc/09/35/54/357093554.db2.gz DKBOCCQKZQJFKN-JTQLQIEISA-N 0 3 219.328 3.490 20 0 BGADHN Cc1cc([C@@H](C)NC2(C3CC3)CC2)oc1C ZINC000390457332 357093842 /nfs/dbraw/zinc/09/38/42/357093842.db2.gz DKBOCCQKZQJFKN-SNVBAGLBSA-N 0 3 219.328 3.490 20 0 BGADHN Cc1cc(C)c(CNC(C)(C)CF)cc1C ZINC000390459427 259389430 /nfs/dbraw/zinc/38/94/30/259389430.db2.gz FFMOFASTHVAVJX-UHFFFAOYSA-N 0 3 223.335 3.450 20 0 BGADHN CSc1ccc(F)cc1CNCC1(C)CC1 ZINC000390475611 357095400 /nfs/dbraw/zinc/09/54/00/357095400.db2.gz KNTPDAYBVLAZSY-UHFFFAOYSA-N 0 3 239.359 3.437 20 0 BGADHN COC[C@H](CC(C)C)N[C@@H](C)c1ccsc1 ZINC000390485578 488157441 /nfs/dbraw/zinc/15/74/41/488157441.db2.gz OKUMBONUXAKCSX-AAEUAGOBSA-N 0 3 241.400 3.460 20 0 BGADHN COC[C@@H](CC(C)C)N[C@H](C)c1ccsc1 ZINC000390485579 488157779 /nfs/dbraw/zinc/15/77/79/488157779.db2.gz OKUMBONUXAKCSX-DGCLKSJQSA-N 0 3 241.400 3.460 20 0 BGADHN COC[C@@H](CC(C)C)N[C@@H](C)c1ccsc1 ZINC000390485580 488158501 /nfs/dbraw/zinc/15/85/01/488158501.db2.gz OKUMBONUXAKCSX-WCQYABFASA-N 0 3 241.400 3.460 20 0 BGADHN COC[C@H](CC(C)C)N[C@H](C)c1ccsc1 ZINC000390485581 488158797 /nfs/dbraw/zinc/15/87/97/488158797.db2.gz OKUMBONUXAKCSX-YPMHNXCESA-N 0 3 241.400 3.460 20 0 BGADHN CCC[C@H](C)NCc1nc2ccccc2o1 ZINC000390487552 371206528 /nfs/dbraw/zinc/20/65/28/371206528.db2.gz PEWDUHCKIRSKEJ-JTQLQIEISA-N 0 3 218.300 3.106 20 0 BGADHN CCC[C@@H](C)NCc1nc2ccccc2o1 ZINC000390487553 371206832 /nfs/dbraw/zinc/20/68/32/371206832.db2.gz PEWDUHCKIRSKEJ-SNVBAGLBSA-N 0 3 218.300 3.106 20 0 BGADHN CCC[C@@H](NCCSCC)c1ccccn1 ZINC000390492556 356771994 /nfs/dbraw/zinc/77/19/94/356771994.db2.gz QXIXIBDTJCFEMP-GFCCVEGCSA-N 0 3 238.400 3.266 20 0 BGADHN CCC[C@H](NCCSCC)c1ccccn1 ZINC000390492560 347368895 /nfs/dbraw/zinc/36/88/95/347368895.db2.gz QXIXIBDTJCFEMP-LBPRGKRZSA-N 0 3 238.400 3.266 20 0 BGADHN C[C@@H](N[C@H](C)C(C)(C)C)c1ccncc1F ZINC000390494797 357096674 /nfs/dbraw/zinc/09/66/74/357096674.db2.gz RLYDPGMQIUTDAW-NXEZZACHSA-N 0 3 224.323 3.306 20 0 BGADHN C[C@@H](N[C@@H](C)c1ccncc1F)C(C)(C)C ZINC000390494799 357096722 /nfs/dbraw/zinc/09/67/22/357096722.db2.gz RLYDPGMQIUTDAW-VHSXEESVSA-N 0 3 224.323 3.306 20 0 BGADHN Cc1cc(C)nc(N[C@@H]2CCC23CCC3)c1 ZINC000390497614 488161737 /nfs/dbraw/zinc/16/17/37/488161737.db2.gz SOCYGLQEGFBDMJ-GFCCVEGCSA-N 0 3 216.328 3.443 20 0 BGADHN Cc1cc(C)nc(N[C@H]2CCC23CCC3)c1 ZINC000390497615 488161533 /nfs/dbraw/zinc/16/15/33/488161533.db2.gz SOCYGLQEGFBDMJ-LBPRGKRZSA-N 0 3 216.328 3.443 20 0 BGADHN C[C@@H](NC1CC(C(F)(F)F)C1)c1ccoc1 ZINC000390497961 259391057 /nfs/dbraw/zinc/39/10/57/259391057.db2.gz SSGQDHPTAJPARP-CUUXFQNZSA-N 0 3 233.233 3.271 20 0 BGADHN C[C@H](NC1CC(C(F)(F)F)C1)c1ccoc1 ZINC000390497963 259391063 /nfs/dbraw/zinc/39/10/63/259391063.db2.gz SSGQDHPTAJPARP-WFRXLMHJSA-N 0 3 233.233 3.271 20 0 BGADHN CCCC[C@@H](CC)CNCc1n[nH]cc1C ZINC000390500350 259391103 /nfs/dbraw/zinc/39/11/03/259391103.db2.gz UHPBOGCPTRVINH-GFCCVEGCSA-N 0 3 223.364 3.024 20 0 BGADHN CCCC[C@H](CC)CNCc1n[nH]cc1C ZINC000390500353 259391014 /nfs/dbraw/zinc/39/10/14/259391014.db2.gz UHPBOGCPTRVINH-LBPRGKRZSA-N 0 3 223.364 3.024 20 0 BGADHN CC[C@@]1(NCc2cc(C)sc2C)CCOC1 ZINC000390500976 539022735 /nfs/dbraw/zinc/02/27/35/539022735.db2.gz UQMPLYHLTRAYJR-CYBMUJFWSA-N 0 3 239.384 3.024 20 0 BGADHN CC[C@]1(NCc2cc(C)sc2C)CCOC1 ZINC000390500977 539022861 /nfs/dbraw/zinc/02/28/61/539022861.db2.gz UQMPLYHLTRAYJR-ZDUSSCGKSA-N 0 3 239.384 3.024 20 0 BGADHN C/C=C/CN[C@@H](C)c1ccc(OCC)cc1 ZINC000390505968 398176136 /nfs/dbraw/zinc/17/61/36/398176136.db2.gz XBXOZONCXYJEDK-FUEXJSSKSA-N 0 3 219.328 3.312 20 0 BGADHN C/C=C/CN[C@H](C)c1ccc(OCC)cc1 ZINC000390505969 398176350 /nfs/dbraw/zinc/17/63/50/398176350.db2.gz XBXOZONCXYJEDK-FVOPLDGLSA-N 0 3 219.328 3.312 20 0 BGADHN C/C=C\CN[C@@H](C)c1ccc(OCC)cc1 ZINC000390505970 398176643 /nfs/dbraw/zinc/17/66/43/398176643.db2.gz XBXOZONCXYJEDK-RNZFLTOJSA-N 0 3 219.328 3.312 20 0 BGADHN C/C=C\CN[C@H](C)c1ccc(OCC)cc1 ZINC000390505971 398176211 /nfs/dbraw/zinc/17/62/11/398176211.db2.gz XBXOZONCXYJEDK-TXNVCOODSA-N 0 3 219.328 3.312 20 0 BGADHN C[C@H](Cc1ccoc1)NCc1ccc(Cl)o1 ZINC000390531566 539025968 /nfs/dbraw/zinc/02/59/68/539025968.db2.gz ITVWHHFVTURYMY-SECBINFHSA-N 0 3 239.702 3.247 20 0 BGADHN C[C@@H](Cc1ccoc1)NCc1ccc(Cl)o1 ZINC000390531567 539026119 /nfs/dbraw/zinc/02/61/19/539026119.db2.gz ITVWHHFVTURYMY-VIFPVBQESA-N 0 3 239.702 3.247 20 0 BGADHN COc1ccc(CNC2CC=CC2)c(Cl)c1 ZINC000390553827 539026066 /nfs/dbraw/zinc/02/60/66/539026066.db2.gz PROWJCNEIOWOGN-UHFFFAOYSA-N 0 3 237.730 3.157 20 0 BGADHN CCc1cccnc1[C@@H](C)NCCC(C)C ZINC000390554956 259393270 /nfs/dbraw/zinc/39/32/70/259393270.db2.gz QBRQKIILXFTPFX-GFCCVEGCSA-N 0 3 220.360 3.341 20 0 BGADHN CCc1cccnc1[C@H](C)NCCC(C)C ZINC000390554958 259393233 /nfs/dbraw/zinc/39/32/33/259393233.db2.gz QBRQKIILXFTPFX-LBPRGKRZSA-N 0 3 220.360 3.341 20 0 BGADHN C[C@@H](NCC12CCC(CC1)C2)c1cscn1 ZINC000390573313 357101265 /nfs/dbraw/zinc/10/12/65/357101265.db2.gz VNJAJLFRGWOKFW-XSRFYTQQSA-N 0 3 236.384 3.374 20 0 BGADHN C[C@H](NCC12CCC(CC1)C2)c1cscn1 ZINC000390573314 357101135 /nfs/dbraw/zinc/10/11/35/357101135.db2.gz VNJAJLFRGWOKFW-ZBOXLXRLSA-N 0 3 236.384 3.374 20 0 BGADHN Cc1cc(CCNCC2(F)CC2)ccc1Cl ZINC000390592753 357111192 /nfs/dbraw/zinc/11/11/92/357111192.db2.gz ZRZQPMQXZSXRJB-UHFFFAOYSA-N 0 3 241.737 3.283 20 0 BGADHN CC(C)c1ccc(CCN[C@H](C)CF)cc1 ZINC000390615807 259395908 /nfs/dbraw/zinc/39/59/08/259395908.db2.gz GVFQQZHFOJKSBY-GFCCVEGCSA-N 0 3 223.335 3.300 20 0 BGADHN CC(C)c1ccc(CCN[C@@H](C)CF)cc1 ZINC000390615808 259395745 /nfs/dbraw/zinc/39/57/45/259395745.db2.gz GVFQQZHFOJKSBY-LBPRGKRZSA-N 0 3 223.335 3.300 20 0 BGADHN CCc1ccc(CNC[C@@H]2CCCC2(F)F)o1 ZINC000390621210 259395784 /nfs/dbraw/zinc/39/57/84/259395784.db2.gz ZLWRIMULEVZXKP-JTQLQIEISA-N 0 3 243.297 3.367 20 0 BGADHN CCc1ccc(CNC[C@H]2CCCC2(F)F)o1 ZINC000390621212 259395572 /nfs/dbraw/zinc/39/55/72/259395572.db2.gz ZLWRIMULEVZXKP-SNVBAGLBSA-N 0 3 243.297 3.367 20 0 BGADHN CCOc1c(Cl)cccc1CNCCCF ZINC000390623439 357108268 /nfs/dbraw/zinc/10/82/68/357108268.db2.gz JGIQPEQWZAGFTB-UHFFFAOYSA-N 0 3 245.725 3.188 20 0 BGADHN CCCc1csc(CNCCCC2CC2)n1 ZINC000390625640 357108255 /nfs/dbraw/zinc/10/82/55/357108255.db2.gz JTKXSTHDNMLYTE-UHFFFAOYSA-N 0 3 238.400 3.375 20 0 BGADHN Cc1ncc([C@@H](C)N[C@H]2CCC(F)(F)C2)s1 ZINC000390626702 539026577 /nfs/dbraw/zinc/02/65/77/539026577.db2.gz JYUGLZNCKVVIAO-APPZFPTMSA-N 0 3 246.326 3.290 20 0 BGADHN Cc1ncc([C@H](C)N[C@H]2CCC(F)(F)C2)s1 ZINC000390626708 539026792 /nfs/dbraw/zinc/02/67/92/539026792.db2.gz JYUGLZNCKVVIAO-CBAPKCEASA-N 0 3 246.326 3.290 20 0 BGADHN Cc1ncc([C@H](C)N[C@@H]2CCC(F)(F)C2)s1 ZINC000390626712 539026713 /nfs/dbraw/zinc/02/67/13/539026713.db2.gz JYUGLZNCKVVIAO-IONNQARKSA-N 0 3 246.326 3.290 20 0 BGADHN Cc1ncc([C@@H](C)N[C@@H]2CCC(F)(F)C2)s1 ZINC000390626717 539026630 /nfs/dbraw/zinc/02/66/30/539026630.db2.gz JYUGLZNCKVVIAO-VXNVDRBHSA-N 0 3 246.326 3.290 20 0 BGADHN CC1(NCc2cscn2)CCC(F)(F)CC1 ZINC000390627680 539026656 /nfs/dbraw/zinc/02/66/56/539026656.db2.gz KGUCSULAXUFLJH-UHFFFAOYSA-N 0 3 246.326 3.201 20 0 BGADHN CCCC[C@H](C)N(C)Cc1ccc(Cl)nn1 ZINC000390633759 712397872 /nfs/dbraw/zinc/39/78/72/712397872.db2.gz JEMHBSGCFCQALF-JTQLQIEISA-N 0 3 241.766 3.141 20 0 BGADHN CCCC[C@@H](C)N(C)Cc1ccc(Cl)nn1 ZINC000390633762 711129857 /nfs/dbraw/zinc/12/98/57/711129857.db2.gz JEMHBSGCFCQALF-SNVBAGLBSA-N 0 3 241.766 3.141 20 0 BGADHN CCC1(CNCc2cc(C)no2)CCCC1 ZINC000390634406 346230069 /nfs/dbraw/zinc/23/00/69/346230069.db2.gz JIONAALLWWJSHL-UHFFFAOYSA-N 0 3 222.332 3.043 20 0 BGADHN Cc1cc(C)c(CNCC2(F)CC2)c(C)c1 ZINC000390651077 357109149 /nfs/dbraw/zinc/10/91/49/357109149.db2.gz PEXNNYLYHUQFLE-UHFFFAOYSA-N 0 3 221.319 3.204 20 0 BGADHN Cc1cnc([C@@H](C)N[C@@H]2CCC23CCC3)s1 ZINC000390661649 488172271 /nfs/dbraw/zinc/17/22/71/488172271.db2.gz SIXYMRJNNLIURT-GHMZBOCLSA-N 0 3 236.384 3.435 20 0 BGADHN Cc1cnc([C@@H](C)N[C@H]2CCC23CCC3)s1 ZINC000390661651 488172348 /nfs/dbraw/zinc/17/23/48/488172348.db2.gz SIXYMRJNNLIURT-MNOVXSKESA-N 0 3 236.384 3.435 20 0 BGADHN Cc1cnc([C@H](C)N[C@H]2CCC23CCC3)s1 ZINC000390661652 488172323 /nfs/dbraw/zinc/17/23/23/488172323.db2.gz SIXYMRJNNLIURT-QWRGUYRKSA-N 0 3 236.384 3.435 20 0 BGADHN Cc1cnc([C@H](C)N[C@@H]2CCC23CCC3)s1 ZINC000390661654 488172358 /nfs/dbraw/zinc/17/23/58/488172358.db2.gz SIXYMRJNNLIURT-WDEREUQCSA-N 0 3 236.384 3.435 20 0 BGADHN CC[C@@H](F)CNC(C)(C)c1cccc(F)c1 ZINC000390676423 259397228 /nfs/dbraw/zinc/39/72/28/259397228.db2.gz XUUHCJIFJSMABV-LLVKDONJSA-N 0 3 227.298 3.399 20 0 BGADHN CC[C@H](F)CNC(C)(C)c1cccc(F)c1 ZINC000390676424 259397579 /nfs/dbraw/zinc/39/75/79/259397579.db2.gz XUUHCJIFJSMABV-NSHDSACASA-N 0 3 227.298 3.399 20 0 BGADHN FC1(CNCc2ccc(C3CC3)cc2)CC1 ZINC000390750192 357115332 /nfs/dbraw/zinc/11/53/32/357115332.db2.gz COJKICNGDFNEAW-UHFFFAOYSA-N 0 3 219.303 3.156 20 0 BGADHN CCC1(C)CCC(NCc2cocn2)CC1 ZINC000390750687 583575287 /nfs/dbraw/zinc/57/52/87/583575287.db2.gz CXNQPJFLDBIWBM-UHFFFAOYSA-N 0 3 222.332 3.123 20 0 BGADHN CCCCN[C@H](COC)c1cccc(Cl)c1 ZINC000390759251 385476387 /nfs/dbraw/zinc/47/63/87/385476387.db2.gz KXTRWVFMEYZPPK-CYBMUJFWSA-N 0 3 241.762 3.417 20 0 BGADHN CCCCN[C@@H](COC)c1cccc(Cl)c1 ZINC000390759253 385477580 /nfs/dbraw/zinc/47/75/80/385477580.db2.gz KXTRWVFMEYZPPK-ZDUSSCGKSA-N 0 3 241.762 3.417 20 0 BGADHN CC[C@H](F)CN[C@@H](c1ccccc1)C1CC1 ZINC000390761025 323085085 /nfs/dbraw/zinc/08/50/85/323085085.db2.gz MWCDWVDKZBKBDT-KBPBESRZSA-N 0 3 221.319 3.475 20 0 BGADHN CC[C@@H](F)CN[C@@H](c1ccccc1)C1CC1 ZINC000390761027 323085045 /nfs/dbraw/zinc/08/50/45/323085045.db2.gz MWCDWVDKZBKBDT-KGLIPLIRSA-N 0 3 221.319 3.475 20 0 BGADHN CC[C@H](F)CN[C@H](c1ccccc1)C1CC1 ZINC000390761028 323085115 /nfs/dbraw/zinc/08/51/15/323085115.db2.gz MWCDWVDKZBKBDT-UONOGXRCSA-N 0 3 221.319 3.475 20 0 BGADHN Fc1ccc(CN[C@H]2[C@@H]3CCC[C@@H]32)c(Cl)c1 ZINC000390777223 371234437 /nfs/dbraw/zinc/23/44/37/371234437.db2.gz GKFHTLKBQKDKOW-PJXYFTJBSA-N 0 3 239.721 3.367 20 0 BGADHN C/C=C\CN[C@H](CC)c1ccc(OC)cc1 ZINC000390797256 398249762 /nfs/dbraw/zinc/24/97/62/398249762.db2.gz TWWMZWDRRFYNJU-KXQLTZBTSA-N 0 3 219.328 3.312 20 0 BGADHN C/C=C\CN[C@@H](CC)c1ccc(OC)cc1 ZINC000390797257 398249834 /nfs/dbraw/zinc/24/98/34/398249834.db2.gz TWWMZWDRRFYNJU-SDQPKGBYSA-N 0 3 219.328 3.312 20 0 BGADHN C/C=C/CN[C@H](CC)c1ccc(OC)cc1 ZINC000390797258 398249807 /nfs/dbraw/zinc/24/98/07/398249807.db2.gz TWWMZWDRRFYNJU-YVARQFDVSA-N 0 3 219.328 3.312 20 0 BGADHN C/C=C/CN[C@@H](CC)c1ccc(OC)cc1 ZINC000390797259 398249508 /nfs/dbraw/zinc/24/95/08/398249508.db2.gz TWWMZWDRRFYNJU-YVZNUBBCSA-N 0 3 219.328 3.312 20 0 BGADHN Fc1ccc(CCNCC2(F)CC2)c(Cl)c1 ZINC000390800914 357117213 /nfs/dbraw/zinc/11/72/13/357117213.db2.gz YSUPDEFTDKLVMA-UHFFFAOYSA-N 0 3 245.700 3.113 20 0 BGADHN Fc1c(Cl)cccc1CN[C@H]1[C@@H]2CCC[C@@H]21 ZINC000390818226 357117374 /nfs/dbraw/zinc/11/73/74/357117374.db2.gz QHKZULUZPMDLJM-IWIIMEHWSA-N 0 3 239.721 3.367 20 0 BGADHN C[C@@H](NC[C@@H]1CCCC1(F)F)c1cncs1 ZINC000390869574 385978109 /nfs/dbraw/zinc/97/81/09/385978109.db2.gz OKKAWFHPRUEGSA-BDAKNGLRSA-N 0 3 246.326 3.229 20 0 BGADHN C[C@H](NC[C@H]1CCCC1(F)F)c1cncs1 ZINC000390869575 385979714 /nfs/dbraw/zinc/97/97/14/385979714.db2.gz OKKAWFHPRUEGSA-DTWKUNHWSA-N 0 3 246.326 3.229 20 0 BGADHN C[C@H](NC[C@@H]1CCCC1(F)F)c1cncs1 ZINC000390869577 385979257 /nfs/dbraw/zinc/97/92/57/385979257.db2.gz OKKAWFHPRUEGSA-IUCAKERBSA-N 0 3 246.326 3.229 20 0 BGADHN C[C@@H](NC[C@H]1CCCC1(F)F)c1cncs1 ZINC000390869579 385980077 /nfs/dbraw/zinc/98/00/77/385980077.db2.gz OKKAWFHPRUEGSA-RKDXNWHRSA-N 0 3 246.326 3.229 20 0 BGADHN FC1(F)CCC[C@@H]1CNCc1ccc(Cl)o1 ZINC000390886628 259416861 /nfs/dbraw/zinc/41/68/61/259416861.db2.gz XFPGRZZSHPMWRD-MRVPVSSYSA-N 0 3 249.688 3.458 20 0 BGADHN FC1(F)CCC[C@H]1CNCc1ccc(Cl)o1 ZINC000390886633 259416703 /nfs/dbraw/zinc/41/67/03/259416703.db2.gz XFPGRZZSHPMWRD-QMMMGPOBSA-N 0 3 249.688 3.458 20 0 BGADHN C[C@H](NC[C@H]1CCCC1(F)F)c1ccoc1 ZINC000390893911 357118911 /nfs/dbraw/zinc/11/89/11/357118911.db2.gz BTQYJFZBSIYQLY-GXSJLCMTSA-N 0 3 229.270 3.366 20 0 BGADHN C[C@@H](NC[C@@H]1CCCC1(F)F)c1ccoc1 ZINC000390893914 357119197 /nfs/dbraw/zinc/11/91/97/357119197.db2.gz BTQYJFZBSIYQLY-KOLCDFICSA-N 0 3 229.270 3.366 20 0 BGADHN C[C@@H](NC[C@H]1CCCC1(F)F)c1ccoc1 ZINC000390893916 357119261 /nfs/dbraw/zinc/11/92/61/357119261.db2.gz BTQYJFZBSIYQLY-MWLCHTKSSA-N 0 3 229.270 3.366 20 0 BGADHN C[C@H](NC[C@@H]1CCCC1(F)F)c1ccoc1 ZINC000390893918 357118744 /nfs/dbraw/zinc/11/87/44/357118744.db2.gz BTQYJFZBSIYQLY-ONGXEEELSA-N 0 3 229.270 3.366 20 0 BGADHN Cc1cc(CNCc2ccc(F)cc2C)ccn1 ZINC000391101580 386389060 /nfs/dbraw/zinc/38/90/60/386389060.db2.gz ABLDUCUTBZOLOG-UHFFFAOYSA-N 0 3 244.313 3.127 20 0 BGADHN Cc1nnsc1CNCC(C)(C)CC(C)C ZINC000391106828 398262924 /nfs/dbraw/zinc/26/29/24/398262924.db2.gz AFPGUHGDHDSXEJ-UHFFFAOYSA-N 0 3 241.404 3.008 20 0 BGADHN Cc1cc(CN[C@H](C)c2ccsc2)ccn1 ZINC000391136092 323099241 /nfs/dbraw/zinc/09/92/41/323099241.db2.gz ANOKGGAAOKXVCA-LLVKDONJSA-N 0 3 232.352 3.302 20 0 BGADHN Cc1cc(CN[C@@H](C)c2ccsc2)ccn1 ZINC000391136110 323099233 /nfs/dbraw/zinc/09/92/33/323099233.db2.gz ANOKGGAAOKXVCA-NSHDSACASA-N 0 3 232.352 3.302 20 0 BGADHN Cc1cc(CNCc2ccc(C)c(F)c2)ccn1 ZINC000391151440 386450981 /nfs/dbraw/zinc/45/09/81/386450981.db2.gz BORKKWIHTZGENO-UHFFFAOYSA-N 0 3 244.313 3.127 20 0 BGADHN Cc1ccc(CNCc2ccnc(C)c2)c(C)c1 ZINC000391164186 386465032 /nfs/dbraw/zinc/46/50/32/386465032.db2.gz CSHMPJGNLZXHNH-UHFFFAOYSA-N 0 3 240.350 3.297 20 0 BGADHN CCC(CC)(CC)CNc1nccn1C ZINC000391171042 259320355 /nfs/dbraw/zinc/32/03/55/259320355.db2.gz LCDQMCFTVXRVFX-UHFFFAOYSA-N 0 3 209.337 3.048 20 0 BGADHN Cc1cc(C)cc(CNCc2ccnc(C)c2)c1 ZINC000391171669 386463440 /nfs/dbraw/zinc/46/34/40/386463440.db2.gz GGUUGXKMFDHBCY-UHFFFAOYSA-N 0 3 240.350 3.297 20 0 BGADHN Cc1cc(CNCc2ccnc(C)c2)c(C)s1 ZINC000391173563 357125595 /nfs/dbraw/zinc/12/55/95/357125595.db2.gz FLGARNAGEHNRTC-UHFFFAOYSA-N 0 3 246.379 3.358 20 0 BGADHN Cc1sccc1CNCc1ccnc(C)c1 ZINC000391174695 386467815 /nfs/dbraw/zinc/46/78/15/386467815.db2.gz FSVGFJKIESDHOE-UHFFFAOYSA-N 0 3 232.352 3.050 20 0 BGADHN CC(C)CC(C)(C)CN[C@H](C)c1ccncn1 ZINC000391179420 386469584 /nfs/dbraw/zinc/46/95/84/386469584.db2.gz HYBUFHRXSDMZNI-GFCCVEGCSA-N 0 3 235.375 3.200 20 0 BGADHN CC(C)CC(C)(C)CN[C@@H](C)c1ccncn1 ZINC000391179422 386471662 /nfs/dbraw/zinc/47/16/62/386471662.db2.gz HYBUFHRXSDMZNI-LBPRGKRZSA-N 0 3 235.375 3.200 20 0 BGADHN Cc1cc(CNCc2cccc(C)c2C)ccn1 ZINC000391181209 259420670 /nfs/dbraw/zinc/42/06/70/259420670.db2.gz KDMYYVVXBDIOED-UHFFFAOYSA-N 0 3 240.350 3.297 20 0 BGADHN CCC(CC)(CC)CN[C@H](C)c1ccncn1 ZINC000391181279 386466515 /nfs/dbraw/zinc/46/65/15/386466515.db2.gz JBDUMUYWNPOQTG-GFCCVEGCSA-N 0 3 235.375 3.344 20 0 BGADHN CCC(CC)(CC)CN[C@@H](C)c1ccncn1 ZINC000391181282 386468181 /nfs/dbraw/zinc/46/81/81/386468181.db2.gz JBDUMUYWNPOQTG-LBPRGKRZSA-N 0 3 235.375 3.344 20 0 BGADHN Cc1ccsc1CNCc1ccnc(C)c1 ZINC000391183686 386466860 /nfs/dbraw/zinc/46/68/60/386466860.db2.gz JSSAHSIEMHOMGB-UHFFFAOYSA-N 0 3 232.352 3.050 20 0 BGADHN CCc1ccc(CNCc2ccnc(C)c2)cc1 ZINC000391184062 387498674 /nfs/dbraw/zinc/49/86/74/387498674.db2.gz LJWVXOHBAQPMNP-UHFFFAOYSA-N 0 3 240.350 3.242 20 0 BGADHN Cc1cc(CNCc2ccc(C)c(C)c2)ccn1 ZINC000391184067 323099507 /nfs/dbraw/zinc/09/95/07/323099507.db2.gz LJYVXADVMKPWPE-UHFFFAOYSA-N 0 3 240.350 3.297 20 0 BGADHN Cc1cc(CNCc2cc(F)ccc2C)ccn1 ZINC000391185560 323099519 /nfs/dbraw/zinc/09/95/19/323099519.db2.gz LOSJPRNHMJKNAK-UHFFFAOYSA-N 0 3 244.313 3.127 20 0 BGADHN Cc1cc(CN[C@H](C)c2cccc(F)c2)ccn1 ZINC000391187776 323099514 /nfs/dbraw/zinc/09/95/14/323099514.db2.gz DVLIGFBYVPZYLJ-GFCCVEGCSA-N 0 3 244.313 3.380 20 0 BGADHN Cc1cc(CN[C@@H](C)c2cccc(F)c2)ccn1 ZINC000391187781 323099503 /nfs/dbraw/zinc/09/95/03/323099503.db2.gz DVLIGFBYVPZYLJ-LBPRGKRZSA-N 0 3 244.313 3.380 20 0 BGADHN Cc1cc(CNCc2ccc(F)c(C)c2)ccn1 ZINC000391197196 386478991 /nfs/dbraw/zinc/47/89/91/386478991.db2.gz UTUOSQGTZZMAFN-UHFFFAOYSA-N 0 3 244.313 3.127 20 0 BGADHN Cc1ccc(CNCc2ccnc(C)c2)s1 ZINC000391198580 386479663 /nfs/dbraw/zinc/47/96/63/386479663.db2.gz OMSBYQVSYXIGEP-UHFFFAOYSA-N 0 3 232.352 3.050 20 0 BGADHN CCc1ccccc1CNCc1ccnc(C)c1 ZINC000391200742 357126140 /nfs/dbraw/zinc/12/61/40/357126140.db2.gz NYKZVRNAQGJDEG-UHFFFAOYSA-N 0 3 240.350 3.242 20 0 BGADHN CCc1ccc(CNCc2ccnc(C)c2)s1 ZINC000391208575 357126582 /nfs/dbraw/zinc/12/65/82/357126582.db2.gz UZUUEOGPLHPOFF-UHFFFAOYSA-N 0 3 246.379 3.304 20 0 BGADHN Cc1cc(CN[C@H](C)c2ccc(F)cc2)ccn1 ZINC000391209255 386482361 /nfs/dbraw/zinc/48/23/61/386482361.db2.gz IUZAGRRQDBXILW-GFCCVEGCSA-N 0 3 244.313 3.380 20 0 BGADHN Cc1cc(CN[C@@H](C)c2ccc(F)cc2)ccn1 ZINC000391209256 386481767 /nfs/dbraw/zinc/48/17/67/386481767.db2.gz IUZAGRRQDBXILW-LBPRGKRZSA-N 0 3 244.313 3.380 20 0 BGADHN Cc1cc(CN[C@H](C)c2ccccc2)ccn1 ZINC000391209444 386481228 /nfs/dbraw/zinc/48/12/28/386481228.db2.gz UKHKJUXDRCVAHV-CYBMUJFWSA-N 0 3 226.323 3.241 20 0 BGADHN Cc1cc(CN[C@@H](C)c2ccccc2)ccn1 ZINC000391209447 386480906 /nfs/dbraw/zinc/48/09/06/386480906.db2.gz UKHKJUXDRCVAHV-ZDUSSCGKSA-N 0 3 226.323 3.241 20 0 BGADHN Cc1cc(CNCc2c(C)cccc2C)ccn1 ZINC000391214975 386486135 /nfs/dbraw/zinc/48/61/35/386486135.db2.gz VHFKQTGYRMOBGP-UHFFFAOYSA-N 0 3 240.350 3.297 20 0 BGADHN Cc1cc(CNCc2ccnc(C)c2)cs1 ZINC000391217164 386486429 /nfs/dbraw/zinc/48/64/29/386486429.db2.gz XIHIGGLOVSQEEW-UHFFFAOYSA-N 0 3 232.352 3.050 20 0 BGADHN Cc1ccc(C)c(CNCc2ccnc(C)c2)c1 ZINC000391217217 259421297 /nfs/dbraw/zinc/42/12/97/259421297.db2.gz WIQPXOZEQOVAGF-UHFFFAOYSA-N 0 3 240.350 3.297 20 0 BGADHN Cc1cc(CN[C@H](C)c2cccs2)ccn1 ZINC000391217927 386487625 /nfs/dbraw/zinc/48/76/25/386487625.db2.gz XOROVNOHFUMUJN-LLVKDONJSA-N 0 3 232.352 3.302 20 0 BGADHN Cc1cc(CN[C@@H](C)c2cccs2)ccn1 ZINC000391217929 386486459 /nfs/dbraw/zinc/48/64/59/386486459.db2.gz XOROVNOHFUMUJN-NSHDSACASA-N 0 3 232.352 3.302 20 0 BGADHN CCC(CC)(CC)CN[C@@H]1CCn2ccnc21 ZINC000391221396 386486112 /nfs/dbraw/zinc/48/61/12/386486112.db2.gz YWAOVSXMRPALNB-GFCCVEGCSA-N 0 3 235.375 3.134 20 0 BGADHN CCC(CC)(CC)CN[C@H]1CCn2ccnc21 ZINC000391221400 386486620 /nfs/dbraw/zinc/48/66/20/386486620.db2.gz YWAOVSXMRPALNB-LBPRGKRZSA-N 0 3 235.375 3.134 20 0 BGADHN Cc1cc(CNCC(C)(C)CC(C)C)on1 ZINC000391227009 346499722 /nfs/dbraw/zinc/49/97/22/346499722.db2.gz MYZMIJKCRFHAKV-UHFFFAOYSA-N 0 3 224.348 3.145 20 0 BGADHN [O-]c1ccc(C[NH2+]CC2(C3CC3)CCC2)cc1F ZINC000391486319 711138946 /nfs/dbraw/zinc/13/89/46/711138946.db2.gz OTKDQFQGLXKCJD-UHFFFAOYSA-N 0 3 249.329 3.201 20 0 BGADHN C[C@H]1C[C@H](NCC2(C3CC3)CCC2)c2nccn21 ZINC000391554552 386402794 /nfs/dbraw/zinc/40/27/94/386402794.db2.gz PUYVDGHIPFYCAE-AAEUAGOBSA-N 0 3 245.370 3.059 20 0 BGADHN C[C@@H]1C[C@@H](NCC2(C3CC3)CCC2)c2nccn21 ZINC000391554553 386403609 /nfs/dbraw/zinc/40/36/09/386403609.db2.gz PUYVDGHIPFYCAE-DGCLKSJQSA-N 0 3 245.370 3.059 20 0 BGADHN C[C@H]1C[C@@H](NCC2(C3CC3)CCC2)c2nccn21 ZINC000391554554 386402848 /nfs/dbraw/zinc/40/28/48/386402848.db2.gz PUYVDGHIPFYCAE-WCQYABFASA-N 0 3 245.370 3.059 20 0 BGADHN C[C@@H]1C[C@H](NCC2(C3CC3)CCC2)c2nccn21 ZINC000391554555 386403101 /nfs/dbraw/zinc/40/31/01/386403101.db2.gz PUYVDGHIPFYCAE-YPMHNXCESA-N 0 3 245.370 3.059 20 0 BGADHN CCCn1nccc1CNCC1(CC(C)C)CC1 ZINC000391793416 487493219 /nfs/dbraw/zinc/49/32/19/487493219.db2.gz YKVYEIGSRGDSRI-UHFFFAOYSA-N 0 3 249.402 3.209 20 0 BGADHN CCCC1(CN[C@H](C)c2ccncn2)CCC1 ZINC000391801364 386664778 /nfs/dbraw/zinc/66/47/78/386664778.db2.gz GOMQDUVVBLAEIJ-GFCCVEGCSA-N 0 3 233.359 3.098 20 0 BGADHN CCCC1(CN[C@@H](C)c2ccncn2)CCC1 ZINC000391801368 386665869 /nfs/dbraw/zinc/66/58/69/386665869.db2.gz GOMQDUVVBLAEIJ-LBPRGKRZSA-N 0 3 233.359 3.098 20 0 BGADHN CCCC1(CN[C@@H]2C[C@@H](C)n3ccnc32)CCC1 ZINC000391862251 411193949 /nfs/dbraw/zinc/19/39/49/411193949.db2.gz QINPXWVZYOIPKD-CHWSQXEVSA-N 0 3 247.386 3.449 20 0 BGADHN CCCC1(CN[C@H]2C[C@@H](C)n3ccnc32)CCC1 ZINC000391862252 411194191 /nfs/dbraw/zinc/19/41/91/411194191.db2.gz QINPXWVZYOIPKD-OLZOCXBDSA-N 0 3 247.386 3.449 20 0 BGADHN CCCC1(CN[C@@H]2C[C@H](C)n3ccnc32)CCC1 ZINC000391862253 411194178 /nfs/dbraw/zinc/19/41/78/411194178.db2.gz QINPXWVZYOIPKD-QWHCGFSZSA-N 0 3 247.386 3.449 20 0 BGADHN CCCC1(CN[C@H]2C[C@H](C)n3ccnc32)CCC1 ZINC000391862255 411193910 /nfs/dbraw/zinc/19/39/10/411193910.db2.gz QINPXWVZYOIPKD-STQMWFEESA-N 0 3 247.386 3.449 20 0 BGADHN Cc1nnc([C@H](C)N[C@H](C)CC(C)(C)C)s1 ZINC000391879854 398264731 /nfs/dbraw/zinc/26/47/31/398264731.db2.gz VCXRCAHBLLTQSQ-BDAKNGLRSA-N 0 3 241.404 3.322 20 0 BGADHN Cc1nnc([C@@H](C)N[C@@H](C)CC(C)(C)C)s1 ZINC000391879855 259445926 /nfs/dbraw/zinc/44/59/26/259445926.db2.gz VCXRCAHBLLTQSQ-DTWKUNHWSA-N 0 3 241.404 3.322 20 0 BGADHN Cc1nnc([C@H](C)N[C@@H](C)CC(C)(C)C)s1 ZINC000391879856 398264342 /nfs/dbraw/zinc/26/43/42/398264342.db2.gz VCXRCAHBLLTQSQ-IUCAKERBSA-N 0 3 241.404 3.322 20 0 BGADHN Cc1nnc([C@@H](C)N[C@H](C)CC(C)(C)C)s1 ZINC000391879857 398264710 /nfs/dbraw/zinc/26/47/10/398264710.db2.gz VCXRCAHBLLTQSQ-RKDXNWHRSA-N 0 3 241.404 3.322 20 0 BGADHN CCCC1(CNCc2cc(C)no2)CCC1 ZINC000391880523 347242372 /nfs/dbraw/zinc/24/23/72/347242372.db2.gz VWPPKUYHRTUNBO-UHFFFAOYSA-N 0 3 222.332 3.043 20 0 BGADHN CCCC[C@@H](CC)CNCc1nnc(C)s1 ZINC000391894681 711142197 /nfs/dbraw/zinc/14/21/97/711142197.db2.gz BFHVFMWVWIXEEX-LLVKDONJSA-N 0 3 241.404 3.153 20 0 BGADHN CCCC[C@H](CC)CNCc1nnc(C)s1 ZINC000391895354 711141936 /nfs/dbraw/zinc/14/19/36/711141936.db2.gz BFHVFMWVWIXEEX-NSHDSACASA-N 0 3 241.404 3.153 20 0 BGADHN CC(C)CC1(CNCc2cncc(F)c2)CC1 ZINC000391913581 386694717 /nfs/dbraw/zinc/69/47/17/386694717.db2.gz NXMVZYGMASGMCJ-UHFFFAOYSA-N 0 3 236.334 3.137 20 0 BGADHN CC(C)CC1(CN[C@@H]2C[C@@H](C)n3ccnc32)CC1 ZINC000391931356 386695437 /nfs/dbraw/zinc/69/54/37/386695437.db2.gz LUKLSNKVSRMDEB-CHWSQXEVSA-N 0 3 247.386 3.305 20 0 BGADHN CC(C)CC1(CN[C@H]2C[C@@H](C)n3ccnc32)CC1 ZINC000391931357 386697454 /nfs/dbraw/zinc/69/74/54/386697454.db2.gz LUKLSNKVSRMDEB-OLZOCXBDSA-N 0 3 247.386 3.305 20 0 BGADHN CC(C)CC1(CN[C@@H]2C[C@H](C)n3ccnc32)CC1 ZINC000391931358 386697425 /nfs/dbraw/zinc/69/74/25/386697425.db2.gz LUKLSNKVSRMDEB-QWHCGFSZSA-N 0 3 247.386 3.305 20 0 BGADHN CC(C)CC1(CN[C@H]2C[C@H](C)n3ccnc32)CC1 ZINC000391931359 386695825 /nfs/dbraw/zinc/69/58/25/386695825.db2.gz LUKLSNKVSRMDEB-STQMWFEESA-N 0 3 247.386 3.305 20 0 BGADHN CCCCCC[C@@H](C)N[C@H](C)c1nnc(C)[nH]1 ZINC000392453011 711148698 /nfs/dbraw/zinc/14/86/98/711148698.db2.gz INAKIEKOWDGOKI-GHMZBOCLSA-N 0 3 238.379 3.123 20 0 BGADHN CCCCCC[C@@H](C)N[C@@H](C)c1nnc(C)[nH]1 ZINC000392453012 711148817 /nfs/dbraw/zinc/14/88/17/711148817.db2.gz INAKIEKOWDGOKI-MNOVXSKESA-N 0 3 238.379 3.123 20 0 BGADHN CCCCCC[C@H](C)N[C@@H](C)c1nnc(C)[nH]1 ZINC000392453013 711149118 /nfs/dbraw/zinc/14/91/18/711149118.db2.gz INAKIEKOWDGOKI-QWRGUYRKSA-N 0 3 238.379 3.123 20 0 BGADHN CCCCCC[C@H](C)N[C@H](C)c1nnc(C)[nH]1 ZINC000392453014 711148518 /nfs/dbraw/zinc/14/85/18/711148518.db2.gz INAKIEKOWDGOKI-WDEREUQCSA-N 0 3 238.379 3.123 20 0 BGADHN CC[C@H](NCc1cc[nH]c(=O)c1)c1ccccc1 ZINC000392617670 398334036 /nfs/dbraw/zinc/33/40/36/398334036.db2.gz APBNPVVKFIRZPH-AWEZNQCLSA-N 0 3 242.322 3.028 20 0 BGADHN CC[C@@H](NCc1cc[nH]c(=O)c1)c1ccccc1 ZINC000392617672 398334016 /nfs/dbraw/zinc/33/40/16/398334016.db2.gz APBNPVVKFIRZPH-CQSZACIVSA-N 0 3 242.322 3.028 20 0 BGADHN CC[C@@H](NCc1ccc(=O)[nH]c1)c1ccccc1 ZINC000392674481 347652051 /nfs/dbraw/zinc/65/20/51/347652051.db2.gz JWRNPLNONKMECI-CQSZACIVSA-N 0 3 242.322 3.028 20 0 BGADHN CC(C)(CCNCc1nccs1)C1CC1 ZINC000392880200 398335909 /nfs/dbraw/zinc/33/59/09/398335909.db2.gz NNQDGHHEYJFJTH-UHFFFAOYSA-N 0 3 224.373 3.059 20 0 BGADHN Cc1ccc(CN[C@H]2C[C@@H]2C(F)F)cc1Cl ZINC000393137920 387343133 /nfs/dbraw/zinc/34/31/33/387343133.db2.gz AAPGDQLRAJRRAD-ONGXEEELSA-N 0 3 245.700 3.392 20 0 BGADHN Cc1cc(CN[C@H]2C[C@@H]2C(F)F)ccc1Cl ZINC000393159397 387346191 /nfs/dbraw/zinc/34/61/91/387346191.db2.gz UVBDSCRGEORWJX-ONGXEEELSA-N 0 3 245.700 3.392 20 0 BGADHN Cc1ccc([C@@H](C)N[C@H]2C[C@@H]2C(F)F)s1 ZINC000393233180 387883619 /nfs/dbraw/zinc/88/36/19/387883619.db2.gz XHIUIIILBMQJGH-VGMNWLOBSA-N 0 3 231.311 3.361 20 0 BGADHN CC(C)Oc1ncccc1CN[C@H](C)C1CCC1 ZINC000393299461 582914789 /nfs/dbraw/zinc/91/47/89/582914789.db2.gz SFNUFIDRUCOGFN-GFCCVEGCSA-N 0 3 248.370 3.147 20 0 BGADHN CC(C)Oc1ncccc1CN[C@@H](C)C1CCC1 ZINC000393299463 582915007 /nfs/dbraw/zinc/91/50/07/582915007.db2.gz SFNUFIDRUCOGFN-LBPRGKRZSA-N 0 3 248.370 3.147 20 0 BGADHN C[C@H]1C[C@H](N[C@@H]2CC[C@@H](C)CC2)c2nccn21 ZINC000393302130 357280812 /nfs/dbraw/zinc/28/08/12/357280812.db2.gz HRLATCBMIPCFDU-CYDGBPFRSA-N 0 3 233.359 3.057 20 0 BGADHN C[C@@H]1C[C@@H](N[C@@H]2CC[C@@H](C)CC2)c2nccn21 ZINC000393302131 357280566 /nfs/dbraw/zinc/28/05/66/357280566.db2.gz HRLATCBMIPCFDU-FDYHWXHSSA-N 0 3 233.359 3.057 20 0 BGADHN C[C@@H]1C[C@H](N[C@@H]2CC[C@@H](C)CC2)c2nccn21 ZINC000393302132 357280766 /nfs/dbraw/zinc/28/07/66/357280766.db2.gz HRLATCBMIPCFDU-LPWJVIDDSA-N 0 3 233.359 3.057 20 0 BGADHN C[C@H]1C[C@@H](N[C@@H]2CC[C@@H](C)CC2)c2nccn21 ZINC000393302134 357280381 /nfs/dbraw/zinc/28/03/81/357280381.db2.gz HRLATCBMIPCFDU-ZDEQEGDKSA-N 0 3 233.359 3.057 20 0 BGADHN C/C=C\CNCc1ccc(Br)cc1 ZINC000393329708 343830185 /nfs/dbraw/zinc/83/01/85/343830185.db2.gz DHHAIQCVMYOISR-IHWYPQMZSA-N 0 3 240.144 3.115 20 0 BGADHN Cc1cc(CN[C@@H]2CCCC23CCCC3)no1 ZINC000393334273 357281523 /nfs/dbraw/zinc/28/15/23/357281523.db2.gz SAOCJZMVZAFELU-CYBMUJFWSA-N 0 3 234.343 3.186 20 0 BGADHN Cc1cc(CN[C@H]2CCCC23CCCC3)no1 ZINC000393334275 357281589 /nfs/dbraw/zinc/28/15/89/357281589.db2.gz SAOCJZMVZAFELU-ZDUSSCGKSA-N 0 3 234.343 3.186 20 0 BGADHN C[C@@H](NC/C=C\Cl)c1ccsc1 ZINC000393346302 711158122 /nfs/dbraw/zinc/15/81/22/711158122.db2.gz CNOROPNPGGXGOQ-DLRBJTRDSA-N 0 3 201.722 3.151 20 0 BGADHN C[C@H](NC/C=C\Cl)c1ccsc1 ZINC000393346303 711858078 /nfs/dbraw/zinc/85/80/78/711858078.db2.gz CNOROPNPGGXGOQ-LTMVXPGCSA-N 0 3 201.722 3.151 20 0 BGADHN Cc1csc(CNCc2ccc(O)cc2)c1 ZINC000393363613 410678573 /nfs/dbraw/zinc/67/85/73/410678573.db2.gz JUDVQPVGYPKBAY-UHFFFAOYSA-N 0 3 233.336 3.052 20 0 BGADHN Fc1ccc(CN[C@H]2CCC[C@@H]3C[C@@H]32)c(F)c1 ZINC000393417447 388429722 /nfs/dbraw/zinc/42/97/22/388429722.db2.gz FTHKDOBSASQKHC-LQJRIPTKSA-N 0 3 237.293 3.243 20 0 BGADHN C[C@@H](N[C@@H]1CCC[C@@H]1F)c1cccc(F)c1 ZINC000393418160 343869905 /nfs/dbraw/zinc/86/99/05/343869905.db2.gz BSHMEVANIRFPTQ-JIMOISOXSA-N 0 3 225.282 3.367 20 0 BGADHN CCc1ccc(CN[C@H](C)C(C)(C)C)nc1 ZINC000393420142 385948913 /nfs/dbraw/zinc/94/89/13/385948913.db2.gz NIIKPEREZVSWLX-LLVKDONJSA-N 0 3 220.360 3.168 20 0 BGADHN C[C@@H](N[C@@H]1CCC[C@@H]1F)c1ccc(F)cc1 ZINC000393428012 357309394 /nfs/dbraw/zinc/30/93/94/357309394.db2.gz HDFVLRUJYIYKCV-JIMOISOXSA-N 0 3 225.282 3.367 20 0 BGADHN Cc1csc([C@H](C)N[C@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC000393429770 343869885 /nfs/dbraw/zinc/86/98/85/343869885.db2.gz PIIYIOFDEVWRNE-USZNOCQGSA-N 0 3 236.384 3.291 20 0 BGADHN Cc1csc([C@@H](C)N[C@@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC000393429775 343869898 /nfs/dbraw/zinc/86/98/98/343869898.db2.gz PIIYIOFDEVWRNE-WISYIIOYSA-N 0 3 236.384 3.291 20 0 BGADHN Cc1csc([C@@H](C)N[C@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC000393429777 343869998 /nfs/dbraw/zinc/86/99/98/343869998.db2.gz PIIYIOFDEVWRNE-WYUUTHIRSA-N 0 3 236.384 3.291 20 0 BGADHN Clc1cc(CN2CC[C@@H]3CCC[C@@H]32)ccn1 ZINC000393432139 711159473 /nfs/dbraw/zinc/15/94/73/711159473.db2.gz JBUJWRUUDUZCGB-RYUDHWBXSA-N 0 3 236.746 3.109 20 0 BGADHN CCC[C@H](CNC/C=C\c1ccccc1)OC ZINC000393436759 357308812 /nfs/dbraw/zinc/30/88/12/357308812.db2.gz LIKQPBVYBMVHMM-OCOPJHETSA-N 0 3 233.355 3.105 20 0 BGADHN CCC[C@@H](CNC/C=C\c1ccccc1)OC ZINC000393436760 357309184 /nfs/dbraw/zinc/30/91/84/357309184.db2.gz LIKQPBVYBMVHMM-QARUFBMTSA-N 0 3 233.355 3.105 20 0 BGADHN CCC[C@@H](CNC/C=C/c1ccccc1)OC ZINC000393436761 357308896 /nfs/dbraw/zinc/30/88/96/357308896.db2.gz LIKQPBVYBMVHMM-USYSOWRXSA-N 0 3 233.355 3.105 20 0 BGADHN CCC[C@H](CNC/C=C/c1ccccc1)OC ZINC000393436762 350217053 /nfs/dbraw/zinc/21/70/53/350217053.db2.gz LIKQPBVYBMVHMM-XKOZXHHJSA-N 0 3 233.355 3.105 20 0 BGADHN CCC[C@H](CNCc1ccc(Cl)cc1)OC ZINC000393451221 357310486 /nfs/dbraw/zinc/31/04/86/357310486.db2.gz WZFPFHRFQAEAMC-CYBMUJFWSA-N 0 3 241.762 3.245 20 0 BGADHN CCC[C@@H](CNCc1ccc(Cl)cc1)OC ZINC000393451224 357310566 /nfs/dbraw/zinc/31/05/66/357310566.db2.gz WZFPFHRFQAEAMC-ZDUSSCGKSA-N 0 3 241.762 3.245 20 0 BGADHN C[C@@H](N[C@H]1CCC[C@H]1F)c1ccccc1 ZINC000393451611 487661170 /nfs/dbraw/zinc/66/11/70/487661170.db2.gz FVPIUZNPWYEXQW-RTXFEEFZSA-N 0 3 207.292 3.228 20 0 BGADHN C[C@@H](N[C@H]1CCC[C@H]1F)c1ccc(F)cc1 ZINC000393453577 357310161 /nfs/dbraw/zinc/31/01/61/357310161.db2.gz HDFVLRUJYIYKCV-WQAKAFBOSA-N 0 3 225.282 3.367 20 0 BGADHN CCc1ccc(CN[C@H]2CCC[C@H]2F)s1 ZINC000393484123 357284316 /nfs/dbraw/zinc/28/43/16/357284316.db2.gz AAWJGNDRWZJNRO-NEPJUHHUSA-N 0 3 227.348 3.291 20 0 BGADHN F[C@@H]1CCC[C@@H]1NC/C=C/c1ccccc1 ZINC000393485853 357284408 /nfs/dbraw/zinc/28/44/08/357284408.db2.gz KVLXCJPMDQMCTQ-AMVTZNPPSA-N 0 3 219.303 3.180 20 0 BGADHN F[C@@H]1CCC[C@@H]1NC/C=C\c1ccccc1 ZINC000393485856 357284551 /nfs/dbraw/zinc/28/45/51/357284551.db2.gz KVLXCJPMDQMCTQ-GMOCCLDISA-N 0 3 219.303 3.180 20 0 BGADHN CC1(C)CCC[C@H]1CNCc1nccs1 ZINC000393489102 411233172 /nfs/dbraw/zinc/23/31/72/411233172.db2.gz RVCYLDIXRUMAPV-JTQLQIEISA-N 0 3 224.373 3.059 20 0 BGADHN CC1(C)CCC[C@@H]1CNCc1nccs1 ZINC000393489103 410698876 /nfs/dbraw/zinc/69/88/76/410698876.db2.gz RVCYLDIXRUMAPV-SNVBAGLBSA-N 0 3 224.373 3.059 20 0 BGADHN Cc1ccc([C@@H](C)NC[C@@H]2C[C@H]2C2CC2)o1 ZINC000393500689 388432024 /nfs/dbraw/zinc/43/20/24/388432024.db2.gz SFWFNUAVWQUEFZ-WXHSDQCUSA-N 0 3 219.328 3.285 20 0 BGADHN C[C@@H](F)CCN[C@@H](C)c1cccnc1Cl ZINC000393504548 711161446 /nfs/dbraw/zinc/16/14/46/711161446.db2.gz WKYDJSPSONQODX-BDAKNGLRSA-N 0 3 230.714 3.134 20 0 BGADHN C[C@@H](NCC[C@H](C)F)c1cccnc1Cl ZINC000393504551 711161750 /nfs/dbraw/zinc/16/17/50/711161750.db2.gz WKYDJSPSONQODX-DTWKUNHWSA-N 0 3 230.714 3.134 20 0 BGADHN C[C@H](F)CCN[C@@H](C)c1cccnc1Cl ZINC000393504553 711161478 /nfs/dbraw/zinc/16/14/78/711161478.db2.gz WKYDJSPSONQODX-IUCAKERBSA-N 0 3 230.714 3.134 20 0 BGADHN C[C@@H](F)CCN[C@H](C)c1cccnc1Cl ZINC000393504554 711161350 /nfs/dbraw/zinc/16/13/50/711161350.db2.gz WKYDJSPSONQODX-RKDXNWHRSA-N 0 3 230.714 3.134 20 0 BGADHN CCC[C@H](C)NCc1cc(OC)ccc1F ZINC000393506950 411363858 /nfs/dbraw/zinc/36/38/58/411363858.db2.gz XOZDULMUTIDASY-JTQLQIEISA-N 0 3 225.307 3.113 20 0 BGADHN CCC[C@@H](C)NCc1cc(OC)ccc1F ZINC000393506953 410724910 /nfs/dbraw/zinc/72/49/10/410724910.db2.gz XOZDULMUTIDASY-SNVBAGLBSA-N 0 3 225.307 3.113 20 0 BGADHN CCc1ccc(CN[C@@H]2CCC[C@@H]2F)cc1 ZINC000393550159 322954841 /nfs/dbraw/zinc/95/48/41/322954841.db2.gz IYSBFLVRYXYLKX-UONOGXRCSA-N 0 3 221.319 3.229 20 0 BGADHN CCc1cnc(CNC(C)(C)C(C)C)s1 ZINC000393603393 323032340 /nfs/dbraw/zinc/03/23/40/323032340.db2.gz GIDDDYYGHPAZDH-UHFFFAOYSA-N 0 3 226.389 3.230 20 0 BGADHN CSc1ccc(CNCC2(F)CC2)cc1 ZINC000393605278 357289185 /nfs/dbraw/zinc/28/91/85/357289185.db2.gz DALFMOIPEDQFRB-UHFFFAOYSA-N 0 3 225.332 3.000 20 0 BGADHN CCC(CC)(CO)NCc1cscc1Cl ZINC000393618829 631932016 /nfs/dbraw/zinc/93/20/16/631932016.db2.gz KTQOVTZCHKNCIO-UHFFFAOYSA-N 0 3 247.791 3.042 20 0 BGADHN CCC(CC)(CC)CNCc1nccs1 ZINC000393619816 582925108 /nfs/dbraw/zinc/92/51/08/582925108.db2.gz MFZUOUMEALPFKN-UHFFFAOYSA-N 0 3 226.389 3.449 20 0 BGADHN CC(C)(CNCC1(F)CC1)c1cccs1 ZINC000393621138 357290261 /nfs/dbraw/zinc/29/02/61/357290261.db2.gz QLNMUJGNUITJCH-UHFFFAOYSA-N 0 3 227.348 3.117 20 0 BGADHN CC(C)(CNCc1ccsc1)C(F)(F)F ZINC000393625260 347185751 /nfs/dbraw/zinc/18/57/51/347185751.db2.gz VDXIIMDIYXBFKZ-UHFFFAOYSA-N 0 3 237.290 3.426 20 0 BGADHN C[C@@H](N[C@H]1CC1(C)C)c1cccnc1Cl ZINC000393633976 711168573 /nfs/dbraw/zinc/16/85/73/711168573.db2.gz RGIRQXNHCHXQPM-SCZZXKLOSA-N 0 3 224.735 3.184 20 0 BGADHN C[C@H](N[C@H]1CC1(C)C)c1cccnc1Cl ZINC000393633978 711167699 /nfs/dbraw/zinc/16/76/99/711167699.db2.gz RGIRQXNHCHXQPM-WPRPVWTQSA-N 0 3 224.735 3.184 20 0 BGADHN Cc1ccc([C@@H](C)NCC(C)(C)C(C)(C)O)o1 ZINC000393639565 259386507 /nfs/dbraw/zinc/38/65/07/259386507.db2.gz QINWULGGOWSBTJ-LLVKDONJSA-N 0 3 239.359 3.036 20 0 BGADHN Cc1ccc([C@H](C)NCC(C)(C)C(C)(C)O)o1 ZINC000393639566 259386212 /nfs/dbraw/zinc/38/62/12/259386212.db2.gz QINWULGGOWSBTJ-NSHDSACASA-N 0 3 239.359 3.036 20 0 BGADHN C/C=C\CNCc1cccc(C(F)(F)F)c1 ZINC000393652635 371519465 /nfs/dbraw/zinc/51/94/65/371519465.db2.gz FTBVAUFLLHWIBO-IHWYPQMZSA-N 0 3 229.245 3.371 20 0 BGADHN CC(C)[C@@H](N[C@@H]1CCCC1(F)F)C1CC1 ZINC000393658944 583915943 /nfs/dbraw/zinc/91/59/43/583915943.db2.gz WOFFCWOXYARGJI-GHMZBOCLSA-N 0 3 217.303 3.198 20 0 BGADHN CC(C)[C@H](N[C@@H]1CCCC1(F)F)C1CC1 ZINC000393658947 583915959 /nfs/dbraw/zinc/91/59/59/583915959.db2.gz WOFFCWOXYARGJI-MNOVXSKESA-N 0 3 217.303 3.198 20 0 BGADHN CC(C)[C@H](N[C@H]1CCCC1(F)F)C1CC1 ZINC000393658950 582851649 /nfs/dbraw/zinc/85/16/49/582851649.db2.gz WOFFCWOXYARGJI-QWRGUYRKSA-N 0 3 217.303 3.198 20 0 BGADHN CC(C)[C@@H](N[C@H]1CCCC1(F)F)C1CC1 ZINC000393658953 582851721 /nfs/dbraw/zinc/85/17/21/582851721.db2.gz WOFFCWOXYARGJI-WDEREUQCSA-N 0 3 217.303 3.198 20 0 BGADHN CC[C@@H]1CC[C@H]1NCc1ccc(Cl)o1 ZINC000393666834 582853353 /nfs/dbraw/zinc/85/33/53/582853353.db2.gz LRVSADCVHRRTCF-PSASIEDQSA-N 0 3 213.708 3.211 20 0 BGADHN CC[C@H]1CC[C@@H]1NCc1ccc(Cl)o1 ZINC000393666839 582853254 /nfs/dbraw/zinc/85/32/54/582853254.db2.gz LRVSADCVHRRTCF-WPRPVWTQSA-N 0 3 213.708 3.211 20 0 BGADHN Cc1cccc([C@@H](C)NC/C=C\Cl)c1 ZINC000393684732 711169476 /nfs/dbraw/zinc/16/94/76/711169476.db2.gz UOPPSZFSQGILTK-MEQVVJDKSA-N 0 3 209.720 3.398 20 0 BGADHN CC[C@H](Cc1cccs1)N[C@H](C)CF ZINC000393685495 582915402 /nfs/dbraw/zinc/91/54/02/582915402.db2.gz YLRBRFVINXXKLH-NXEZZACHSA-N 0 3 215.337 3.017 20 0 BGADHN CC[C@@H](Cc1cccs1)N[C@@H](C)CF ZINC000393685497 410755082 /nfs/dbraw/zinc/75/50/82/410755082.db2.gz YLRBRFVINXXKLH-UWVGGRQHSA-N 0 3 215.337 3.017 20 0 BGADHN CC[C@H](Cc1cccs1)N[C@@H](C)CF ZINC000393685498 410755395 /nfs/dbraw/zinc/75/53/95/410755395.db2.gz YLRBRFVINXXKLH-VHSXEESVSA-N 0 3 215.337 3.017 20 0 BGADHN CC[C@@H](Cc1cccs1)N[C@H](C)CF ZINC000393685500 583964506 /nfs/dbraw/zinc/96/45/06/583964506.db2.gz YLRBRFVINXXKLH-ZJUUUORDSA-N 0 3 215.337 3.017 20 0 BGADHN C/C=C\CN[C@H](COC)c1ccc(Cl)cc1 ZINC000393736751 582921707 /nfs/dbraw/zinc/92/17/07/582921707.db2.gz AGCPWSLDGIEIEZ-DHCBQETCSA-N 0 3 239.746 3.193 20 0 BGADHN C/C=C/CN[C@H](COC)c1ccc(Cl)cc1 ZINC000393736752 582921680 /nfs/dbraw/zinc/92/16/80/582921680.db2.gz AGCPWSLDGIEIEZ-ITDFMYJTSA-N 0 3 239.746 3.193 20 0 BGADHN C/C=C/CN[C@@H](COC)c1ccc(Cl)cc1 ZINC000393736753 583917477 /nfs/dbraw/zinc/91/74/77/583917477.db2.gz AGCPWSLDGIEIEZ-OOPCZODUSA-N 0 3 239.746 3.193 20 0 BGADHN C/C=C\CN[C@@H](COC)c1ccc(Cl)cc1 ZINC000393736754 582921527 /nfs/dbraw/zinc/92/15/27/582921527.db2.gz AGCPWSLDGIEIEZ-SCOBNMCVSA-N 0 3 239.746 3.193 20 0 BGADHN CCC(CC)NCc1nc2c(s1)CCCC2 ZINC000393742648 582921823 /nfs/dbraw/zinc/92/18/23/582921823.db2.gz IOZBAVQXIDZDAN-UHFFFAOYSA-N 0 3 238.400 3.300 20 0 BGADHN CCc1cnc(CNCC2(C)CCCC2)s1 ZINC000393747690 711172169 /nfs/dbraw/zinc/17/21/69/711172169.db2.gz OCZJOUCZDOJLBP-UHFFFAOYSA-N 0 3 238.400 3.375 20 0 BGADHN Cc1nc([C@H](C)N[C@@H]2CC[C@@H]2C)c(C)s1 ZINC000393749273 582921427 /nfs/dbraw/zinc/92/14/27/582921427.db2.gz UWXKLBGMASCSRH-DKCNOQQISA-N 0 3 224.373 3.209 20 0 BGADHN Cc1nc([C@H](C)N[C@H]2CC[C@H]2C)c(C)s1 ZINC000393749283 582921635 /nfs/dbraw/zinc/92/16/35/582921635.db2.gz UWXKLBGMASCSRH-FYBVGQRMSA-N 0 3 224.373 3.209 20 0 BGADHN Cc1nc([C@H](C)N[C@H]2CC[C@@H]2C)c(C)s1 ZINC000393749287 636577437 /nfs/dbraw/zinc/57/74/37/636577437.db2.gz UWXKLBGMASCSRH-LAEOZQHASA-N 0 3 224.373 3.209 20 0 BGADHN Cc1nc([C@H](C)N[C@@H]2CC[C@H]2C)c(C)s1 ZINC000393749292 582922007 /nfs/dbraw/zinc/92/20/07/582922007.db2.gz UWXKLBGMASCSRH-VHSKPIJISA-N 0 3 224.373 3.209 20 0 BGADHN CCc1cccc(F)c1CNCC=C(C)C ZINC000393753006 259711015 /nfs/dbraw/zinc/71/10/15/259711015.db2.gz UGGRMHSCBBSFJY-UHFFFAOYSA-N 0 3 221.319 3.444 20 0 BGADHN CN(Cc1cc(Cl)cc(Cl)c1N)C1CC1 ZINC000393754674 353175834 /nfs/dbraw/zinc/17/58/34/353175834.db2.gz FOLSXGDYRKPFQV-UHFFFAOYSA-N 0 3 245.153 3.170 20 0 BGADHN CC(C)CN[C@@H]1COCc2cccc(Cl)c21 ZINC000393755542 710671391 /nfs/dbraw/zinc/67/13/91/710671391.db2.gz HOBAPVMPBOGMFL-GFCCVEGCSA-N 0 3 239.746 3.157 20 0 BGADHN CC(C)CN[C@H]1COCc2cccc(Cl)c21 ZINC000393755543 710671718 /nfs/dbraw/zinc/67/17/18/710671718.db2.gz HOBAPVMPBOGMFL-LBPRGKRZSA-N 0 3 239.746 3.157 20 0 BGADHN CC(C)C(CN[C@H](C)c1ccon1)C(C)C ZINC000393765500 387273765 /nfs/dbraw/zinc/27/37/65/387273765.db2.gz CKPFVVDCRPKKJG-LLVKDONJSA-N 0 3 224.348 3.253 20 0 BGADHN CC(C)C(CN[C@@H](C)c1ccon1)C(C)C ZINC000393765501 387274127 /nfs/dbraw/zinc/27/41/27/387274127.db2.gz CKPFVVDCRPKKJG-NSHDSACASA-N 0 3 224.348 3.253 20 0 BGADHN CC(C)c1cc(CNC2CC(C)(C)C2)on1 ZINC000393773729 636625324 /nfs/dbraw/zinc/62/53/24/636625324.db2.gz KZVIYFONPGQQIB-UHFFFAOYSA-N 0 3 222.332 3.076 20 0 BGADHN CC(C)(CNCC1(F)CC1)c1ccccc1 ZINC000393774343 582923660 /nfs/dbraw/zinc/92/36/60/582923660.db2.gz CZUQWRFMOALLPJ-UHFFFAOYSA-N 0 3 221.319 3.056 20 0 BGADHN FC(F)c1ccc(CNCC2(F)CC2)cc1 ZINC000393774564 357298574 /nfs/dbraw/zinc/29/85/74/357298574.db2.gz DKCYVJZDTRYIRR-UHFFFAOYSA-N 0 3 229.245 3.216 20 0 BGADHN Cc1ccc(SCCNCC2(F)CC2)cc1 ZINC000393776387 357298610 /nfs/dbraw/zinc/29/86/10/357298610.db2.gz FYJAGPGRXSYGBQ-UHFFFAOYSA-N 0 3 239.359 3.179 20 0 BGADHN CC(C)[C@H](C)N[C@@H]1COc2cccc(Cl)c21 ZINC000393778250 387317684 /nfs/dbraw/zinc/31/76/84/387317684.db2.gz MDRSINIAUMEFKN-GXSJLCMTSA-N 0 3 239.746 3.408 20 0 BGADHN CC(C)[C@@H](C)N[C@H]1COc2cccc(Cl)c21 ZINC000393778251 387316888 /nfs/dbraw/zinc/31/68/88/387316888.db2.gz MDRSINIAUMEFKN-KOLCDFICSA-N 0 3 239.746 3.408 20 0 BGADHN CC(C)[C@@H](C)N[C@@H]1COc2cccc(Cl)c21 ZINC000393778252 259482074 /nfs/dbraw/zinc/48/20/74/259482074.db2.gz MDRSINIAUMEFKN-MWLCHTKSSA-N 0 3 239.746 3.408 20 0 BGADHN CC(C)[C@H](C)N[C@H]1COc2cccc(Cl)c21 ZINC000393778253 259482076 /nfs/dbraw/zinc/48/20/76/259482076.db2.gz MDRSINIAUMEFKN-ONGXEEELSA-N 0 3 239.746 3.408 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2CC[C@H](C)CC2)no1 ZINC000393789608 388114392 /nfs/dbraw/zinc/11/43/92/388114392.db2.gz CUQNAWVCXDIVFB-DLOVCJGASA-N 0 3 222.332 3.212 20 0 BGADHN Cc1cc([C@@H](C)N[C@H]2CC[C@H](C)CC2)no1 ZINC000393789610 388114088 /nfs/dbraw/zinc/11/40/88/388114088.db2.gz CUQNAWVCXDIVFB-YUSALJHKSA-N 0 3 222.332 3.212 20 0 BGADHN C[C@H](NCCCC1CC1)c1ccncc1F ZINC000393792352 357299689 /nfs/dbraw/zinc/29/96/89/357299689.db2.gz MQJJOIHTWVNOHB-JTQLQIEISA-N 0 3 222.307 3.062 20 0 BGADHN C[C@@H](NCCCC1CC1)c1ccncc1F ZINC000393792356 357299655 /nfs/dbraw/zinc/29/96/55/357299655.db2.gz MQJJOIHTWVNOHB-SNVBAGLBSA-N 0 3 222.307 3.062 20 0 BGADHN Cc1csc(C2(N[C@@H]3CC[C@@H]3C)CCC2)n1 ZINC000393809152 711176144 /nfs/dbraw/zinc/17/61/44/711176144.db2.gz YTDLGNCGFAHTEB-GXSJLCMTSA-N 0 3 236.384 3.219 20 0 BGADHN Cc1csc(C2(N[C@H]3CC[C@H]3C)CCC2)n1 ZINC000393809153 711175907 /nfs/dbraw/zinc/17/59/07/711175907.db2.gz YTDLGNCGFAHTEB-KOLCDFICSA-N 0 3 236.384 3.219 20 0 BGADHN Cc1csc(C2(N[C@@H]3CC[C@H]3C)CCC2)n1 ZINC000393809154 711176188 /nfs/dbraw/zinc/17/61/88/711176188.db2.gz YTDLGNCGFAHTEB-MWLCHTKSSA-N 0 3 236.384 3.219 20 0 BGADHN Cc1csc(C2(N[C@H]3CC[C@@H]3C)CCC2)n1 ZINC000393809155 711176320 /nfs/dbraw/zinc/17/63/20/711176320.db2.gz YTDLGNCGFAHTEB-ONGXEEELSA-N 0 3 236.384 3.219 20 0 BGADHN Fc1ccc(F)c(CN[C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000393843722 357303520 /nfs/dbraw/zinc/30/35/20/357303520.db2.gz YOWGHWABKOYULR-MRCXROJRSA-N 0 3 237.293 3.243 20 0 BGADHN Cc1ccc2c(c1)[C@@H](N[C@H]1CSC1(C)C)CC2 ZINC000393851065 357303410 /nfs/dbraw/zinc/30/34/10/357303410.db2.gz LJUGHDGPSXBVLD-KBPBESRZSA-N 0 3 247.407 3.466 20 0 BGADHN Cc1ccc2c(c1)[C@H](N[C@H]1CSC1(C)C)CC2 ZINC000393851322 357302999 /nfs/dbraw/zinc/30/29/99/357302999.db2.gz LJUGHDGPSXBVLD-KGLIPLIRSA-N 0 3 247.407 3.466 20 0 BGADHN Cc1ccc2c(c1)[C@@H](N[C@@H]1CSC1(C)C)CC2 ZINC000393851325 357303181 /nfs/dbraw/zinc/30/31/81/357303181.db2.gz LJUGHDGPSXBVLD-UONOGXRCSA-N 0 3 247.407 3.466 20 0 BGADHN Cc1ccc2c(c1)[C@H](N[C@@H]1CSC1(C)C)CC2 ZINC000393851327 357303232 /nfs/dbraw/zinc/30/32/32/357303232.db2.gz LJUGHDGPSXBVLD-ZIAGYGMSSA-N 0 3 247.407 3.466 20 0 BGADHN Cc1cccc(CN[C@@H]2CSC2(C)C)c1F ZINC000393883947 388445033 /nfs/dbraw/zinc/44/50/33/388445033.db2.gz PGNCVASEIHPZHE-LLVKDONJSA-N 0 3 239.359 3.118 20 0 BGADHN Cc1cccc(CN[C@H]2CSC2(C)C)c1F ZINC000393883949 388445368 /nfs/dbraw/zinc/44/53/68/388445368.db2.gz PGNCVASEIHPZHE-NSHDSACASA-N 0 3 239.359 3.118 20 0 BGADHN Fc1cc(F)cc(CN[C@@H]2CCC(F)(F)C2)c1 ZINC000393884361 582931635 /nfs/dbraw/zinc/93/16/35/582931635.db2.gz PYVKVWGVSFSEIU-LLVKDONJSA-N 0 3 247.235 3.242 20 0 BGADHN Fc1cc(F)cc(CN[C@H]2CCC(F)(F)C2)c1 ZINC000393884362 582931891 /nfs/dbraw/zinc/93/18/91/582931891.db2.gz PYVKVWGVSFSEIU-NSHDSACASA-N 0 3 247.235 3.242 20 0 BGADHN CC1(C)SC[C@H]1NCc1ccc2cc[nH]c2c1 ZINC000393885641 344001315 /nfs/dbraw/zinc/00/13/15/344001315.db2.gz RSHNWTHXMVAULE-CYBMUJFWSA-N 0 3 246.379 3.152 20 0 BGADHN CC1(C)SC[C@@H]1NCc1ccc2cc[nH]c2c1 ZINC000393885643 344001227 /nfs/dbraw/zinc/00/12/27/344001227.db2.gz RSHNWTHXMVAULE-ZDUSSCGKSA-N 0 3 246.379 3.152 20 0 BGADHN CC1(C)SC[C@H]1NCc1ccc2[nH]ccc2c1 ZINC000393887712 357305618 /nfs/dbraw/zinc/30/56/18/357305618.db2.gz UYGBDNFWCHECLP-CYBMUJFWSA-N 0 3 246.379 3.152 20 0 BGADHN CC1(C)SC[C@@H]1NCc1ccc2[nH]ccc2c1 ZINC000393887713 357306021 /nfs/dbraw/zinc/30/60/21/357306021.db2.gz UYGBDNFWCHECLP-ZDUSSCGKSA-N 0 3 246.379 3.152 20 0 BGADHN CCc1ccc(CN[C@@H]2CCC[C@@H]2F)s1 ZINC000393909225 357307098 /nfs/dbraw/zinc/30/70/98/357307098.db2.gz AAWJGNDRWZJNRO-NWDGAFQWSA-N 0 3 227.348 3.291 20 0 BGADHN Clc1ccc(CN[C@H]2CCC[C@H]3C[C@H]32)nc1 ZINC000393911827 487474801 /nfs/dbraw/zinc/47/48/01/487474801.db2.gz VASWYFCLPUUEAZ-BIMULSAOSA-N 0 3 236.746 3.013 20 0 BGADHN Clc1ccc(CN[C@@H]2CCC[C@H]3C[C@H]32)nc1 ZINC000393911828 410769244 /nfs/dbraw/zinc/76/92/44/410769244.db2.gz VASWYFCLPUUEAZ-ZWKOPEQDSA-N 0 3 236.746 3.013 20 0 BGADHN CC(F)(F)CNC1C2CC3CC(C2)CC1C3 ZINC000393919558 357307255 /nfs/dbraw/zinc/30/72/55/357307255.db2.gz PRFRRKHINJGGGU-UHFFFAOYSA-N 0 3 229.314 3.056 20 0 BGADHN Cc1ccc(F)c(CNC2(C(C)C)CC2)c1 ZINC000393922461 357307005 /nfs/dbraw/zinc/30/70/05/357307005.db2.gz BMGLFAUKWZOVPD-UHFFFAOYSA-N 0 3 221.319 3.412 20 0 BGADHN Cc1nc(CN[C@@H]2CCC[C@H]3C[C@H]32)sc1C ZINC000393927457 357306986 /nfs/dbraw/zinc/30/69/86/357306986.db2.gz IBSXTFZUNOTPLO-QJPTWQEYSA-N 0 3 236.384 3.038 20 0 BGADHN Cc1nc(CN[C@H]2CCC[C@H]3C[C@H]32)sc1C ZINC000393927459 357307060 /nfs/dbraw/zinc/30/70/60/357307060.db2.gz IBSXTFZUNOTPLO-TUAOUCFPSA-N 0 3 236.384 3.038 20 0 BGADHN CC[C@@H]1CCC[C@@H](NCc2oc(C)nc2C)C1 ZINC000393933274 350327618 /nfs/dbraw/zinc/32/76/18/350327618.db2.gz MABXAFSHTSNLKC-CHWSQXEVSA-N 0 3 236.359 3.350 20 0 BGADHN CC[C@@H]1CCC[C@H](NCc2oc(C)nc2C)C1 ZINC000393933275 350327551 /nfs/dbraw/zinc/32/75/51/350327551.db2.gz MABXAFSHTSNLKC-OLZOCXBDSA-N 0 3 236.359 3.350 20 0 BGADHN CC[C@H]1CCC[C@@H](NCc2oc(C)nc2C)C1 ZINC000393933276 355330381 /nfs/dbraw/zinc/33/03/81/355330381.db2.gz MABXAFSHTSNLKC-QWHCGFSZSA-N 0 3 236.359 3.350 20 0 BGADHN CC[C@H]1CCC[C@H](NCc2oc(C)nc2C)C1 ZINC000393933278 355330397 /nfs/dbraw/zinc/33/03/97/355330397.db2.gz MABXAFSHTSNLKC-STQMWFEESA-N 0 3 236.359 3.350 20 0 BGADHN Cc1nc(C)c(CNC[C@H]2CCC[C@H](C)C2)o1 ZINC000393952533 350373947 /nfs/dbraw/zinc/37/39/47/350373947.db2.gz UVKCKAHDYZXULH-GWCFXTLKSA-N 0 3 236.359 3.207 20 0 BGADHN Cc1nc(C)c(CNC[C@@H]2CCC[C@H](C)C2)o1 ZINC000393952534 350374001 /nfs/dbraw/zinc/37/40/01/350374001.db2.gz UVKCKAHDYZXULH-GXFFZTMASA-N 0 3 236.359 3.207 20 0 BGADHN Cc1nc(C)c(CNC[C@H]2CCC[C@@H](C)C2)o1 ZINC000393952535 350374359 /nfs/dbraw/zinc/37/43/59/350374359.db2.gz UVKCKAHDYZXULH-MFKMUULPSA-N 0 3 236.359 3.207 20 0 BGADHN Cc1nc(C)c(CNC[C@@H]2CCC[C@@H](C)C2)o1 ZINC000393952536 350374439 /nfs/dbraw/zinc/37/44/39/350374439.db2.gz UVKCKAHDYZXULH-ZWNOBZJWSA-N 0 3 236.359 3.207 20 0 BGADHN Cc1nc(C)c(CNC[C@@H](C)c2ccccc2)o1 ZINC000394076053 356310438 /nfs/dbraw/zinc/31/04/38/356310438.db2.gz BHDTWLPXVQMHAX-LLVKDONJSA-N 0 3 244.338 3.185 20 0 BGADHN Cc1nc(C)c(CNC[C@H](C)c2ccccc2)o1 ZINC000394076059 356310059 /nfs/dbraw/zinc/31/00/59/356310059.db2.gz BHDTWLPXVQMHAX-NSHDSACASA-N 0 3 244.338 3.185 20 0 BGADHN CC[C@H](N[C@@H](C)Cn1ccnc1)c1ccsc1 ZINC000394304223 322988440 /nfs/dbraw/zinc/98/84/40/322988440.db2.gz TYFMRFWNSFSJFP-AAEUAGOBSA-N 0 3 249.383 3.074 20 0 BGADHN CC[C@@H](N[C@H](C)Cn1ccnc1)c1ccsc1 ZINC000394304224 384163724 /nfs/dbraw/zinc/16/37/24/384163724.db2.gz TYFMRFWNSFSJFP-DGCLKSJQSA-N 0 3 249.383 3.074 20 0 BGADHN CC[C@@H](N[C@@H](C)Cn1ccnc1)c1ccsc1 ZINC000394304226 322988475 /nfs/dbraw/zinc/98/84/75/322988475.db2.gz TYFMRFWNSFSJFP-WCQYABFASA-N 0 3 249.383 3.074 20 0 BGADHN CC[C@H](N[C@H](C)Cn1ccnc1)c1ccsc1 ZINC000394304227 322988384 /nfs/dbraw/zinc/98/83/84/322988384.db2.gz TYFMRFWNSFSJFP-YPMHNXCESA-N 0 3 249.383 3.074 20 0 BGADHN CCc1cnc(CNCC[C@@H](C)CC)s1 ZINC000394395098 487674089 /nfs/dbraw/zinc/67/40/89/487674089.db2.gz AXUASMIGBAWXBI-JTQLQIEISA-N 0 3 226.389 3.231 20 0 BGADHN CCc1cnc(CNCC[C@H](C)CC)s1 ZINC000394395100 487674053 /nfs/dbraw/zinc/67/40/53/487674053.db2.gz AXUASMIGBAWXBI-SNVBAGLBSA-N 0 3 226.389 3.231 20 0 BGADHN CCc1nc(CNCC[C@@H](C)CC)cs1 ZINC000394398116 487673958 /nfs/dbraw/zinc/67/39/58/487673958.db2.gz IYRMHLVJKDQBSL-JTQLQIEISA-N 0 3 226.389 3.231 20 0 BGADHN CCc1nc(CNCC[C@H](C)CC)cs1 ZINC000394398118 487674290 /nfs/dbraw/zinc/67/42/90/487674290.db2.gz IYRMHLVJKDQBSL-SNVBAGLBSA-N 0 3 226.389 3.231 20 0 BGADHN Cc1csc([C@H](C)NCCCC2CC2)n1 ZINC000394426649 342790587 /nfs/dbraw/zinc/79/05/87/342790587.db2.gz CDTZAHHKXPNKAA-JTQLQIEISA-N 0 3 224.373 3.292 20 0 BGADHN Cc1csc([C@@H](C)NCCCC2CC2)n1 ZINC000394426650 342790509 /nfs/dbraw/zinc/79/05/09/342790509.db2.gz CDTZAHHKXPNKAA-SNVBAGLBSA-N 0 3 224.373 3.292 20 0 BGADHN CC[C@@H](C)CCN[C@H](C)c1nccs1 ZINC000394440183 490124185 /nfs/dbraw/zinc/12/41/85/490124185.db2.gz CNGLRWCOMKTPPE-NXEZZACHSA-N 0 3 212.362 3.230 20 0 BGADHN CC[C@H](C)CCN[C@@H](C)c1nccs1 ZINC000394440185 490124390 /nfs/dbraw/zinc/12/43/90/490124390.db2.gz CNGLRWCOMKTPPE-UWVGGRQHSA-N 0 3 212.362 3.230 20 0 BGADHN CC[C@H](C)CCN[C@H](C)c1nccs1 ZINC000394440186 490124384 /nfs/dbraw/zinc/12/43/84/490124384.db2.gz CNGLRWCOMKTPPE-VHSXEESVSA-N 0 3 212.362 3.230 20 0 BGADHN CC[C@@H](C)CCN[C@@H](C)c1nccs1 ZINC000394440187 490124430 /nfs/dbraw/zinc/12/44/30/490124430.db2.gz CNGLRWCOMKTPPE-ZJUUUORDSA-N 0 3 212.362 3.230 20 0 BGADHN CC[C@@H](C)CCN[C@@H](C)c1ccccn1 ZINC000394440569 490124211 /nfs/dbraw/zinc/12/42/11/490124211.db2.gz XFVSXCCQNBIQHU-NEPJUHHUSA-N 0 3 206.333 3.168 20 0 BGADHN CC[C@H](C)CCN[C@H](C)c1ccccn1 ZINC000394440571 490124263 /nfs/dbraw/zinc/12/42/63/490124263.db2.gz XFVSXCCQNBIQHU-NWDGAFQWSA-N 0 3 206.333 3.168 20 0 BGADHN CC[C@H](C)CCN[C@@H](C)c1ccccn1 ZINC000394440573 490123770 /nfs/dbraw/zinc/12/37/70/490123770.db2.gz XFVSXCCQNBIQHU-RYUDHWBXSA-N 0 3 206.333 3.168 20 0 BGADHN CC[C@@H](C)CCN[C@H](C)c1ccccn1 ZINC000394440575 490124393 /nfs/dbraw/zinc/12/43/93/490124393.db2.gz XFVSXCCQNBIQHU-VXGBXAGGSA-N 0 3 206.333 3.168 20 0 BGADHN Cc1cnc([C@H](C)NCCCC2CC2)s1 ZINC000394443616 711192574 /nfs/dbraw/zinc/19/25/74/711192574.db2.gz LUXNIIRMETZSOY-JTQLQIEISA-N 0 3 224.373 3.292 20 0 BGADHN Cc1cnc([C@@H](C)NCCCC2CC2)s1 ZINC000394443618 711192319 /nfs/dbraw/zinc/19/23/19/711192319.db2.gz LUXNIIRMETZSOY-SNVBAGLBSA-N 0 3 224.373 3.292 20 0 BGADHN Cc1cc(CNC[C@H]2CCC(C)(C)O2)cs1 ZINC000394471606 259359073 /nfs/dbraw/zinc/35/90/73/259359073.db2.gz FLPGQRTXZYYJKE-GFCCVEGCSA-N 0 3 239.384 3.104 20 0 BGADHN Cc1cc(CNC[C@@H]2CCC(C)(C)O2)cs1 ZINC000394471609 259359096 /nfs/dbraw/zinc/35/90/96/259359096.db2.gz FLPGQRTXZYYJKE-LBPRGKRZSA-N 0 3 239.384 3.104 20 0 BGADHN CC[C@@H](C)CCNCc1ccccc1[N+](=O)[O-] ZINC000394477399 384207300 /nfs/dbraw/zinc/20/73/00/384207300.db2.gz YYVSZIJWOUFDLQ-LLVKDONJSA-N 0 3 236.315 3.121 20 0 BGADHN CC[C@H](C)CCNCc1ccccc1[N+](=O)[O-] ZINC000394477400 384207573 /nfs/dbraw/zinc/20/75/73/384207573.db2.gz YYVSZIJWOUFDLQ-NSHDSACASA-N 0 3 236.315 3.121 20 0 BGADHN COC1(CN[C@H](C)c2csc(C)c2)CCC1 ZINC000394489810 259359657 /nfs/dbraw/zinc/35/96/57/259359657.db2.gz YHVNSTGBEHAUJM-LLVKDONJSA-N 0 3 239.384 3.276 20 0 BGADHN COC1(CN[C@@H](C)c2csc(C)c2)CCC1 ZINC000394489822 259360152 /nfs/dbraw/zinc/36/01/52/259360152.db2.gz YHVNSTGBEHAUJM-NSHDSACASA-N 0 3 239.384 3.276 20 0 BGADHN FC1(F)CCC[C@H]1CNCc1ccsc1 ZINC000394495807 323059247 /nfs/dbraw/zinc/05/92/47/323059247.db2.gz VLTOCUPGSJSHCF-JTQLQIEISA-N 0 3 231.311 3.273 20 0 BGADHN FC1(F)CCC[C@@H]1CNCc1ccsc1 ZINC000394495808 323059269 /nfs/dbraw/zinc/05/92/69/323059269.db2.gz VLTOCUPGSJSHCF-SNVBAGLBSA-N 0 3 231.311 3.273 20 0 BGADHN Cc1ccoc1CNC[C@@H]1CCCC1(F)F ZINC000394498312 323060961 /nfs/dbraw/zinc/06/09/61/323060961.db2.gz XYQCWEJKJQRIFI-JTQLQIEISA-N 0 3 229.270 3.113 20 0 BGADHN Cc1ccoc1CNC[C@H]1CCCC1(F)F ZINC000394498313 323060980 /nfs/dbraw/zinc/06/09/80/323060980.db2.gz XYQCWEJKJQRIFI-SNVBAGLBSA-N 0 3 229.270 3.113 20 0 BGADHN CSCCN[C@H](C)c1csc(C)c1 ZINC000394513514 342804335 /nfs/dbraw/zinc/80/43/35/342804335.db2.gz BJFBVXAACYCYRX-SECBINFHSA-N 0 3 215.387 3.070 20 0 BGADHN CSCCN[C@@H](C)c1csc(C)c1 ZINC000394513517 342804293 /nfs/dbraw/zinc/80/42/93/342804293.db2.gz BJFBVXAACYCYRX-VIFPVBQESA-N 0 3 215.387 3.070 20 0 BGADHN CC[C@@H]1CCC[C@@H](CNCc2cc(C)on2)C1 ZINC000394533372 357364160 /nfs/dbraw/zinc/36/41/60/357364160.db2.gz MBPGGXDLAQZDBJ-CHWSQXEVSA-N 0 3 236.359 3.289 20 0 BGADHN CC[C@@H]1CCC[C@H](CNCc2cc(C)on2)C1 ZINC000394533376 357363988 /nfs/dbraw/zinc/36/39/88/357363988.db2.gz MBPGGXDLAQZDBJ-OLZOCXBDSA-N 0 3 236.359 3.289 20 0 BGADHN CC[C@H]1CCC[C@@H](CNCc2cc(C)on2)C1 ZINC000394533381 357363840 /nfs/dbraw/zinc/36/38/40/357363840.db2.gz MBPGGXDLAQZDBJ-QWHCGFSZSA-N 0 3 236.359 3.289 20 0 BGADHN CC[C@H]1CCC[C@H](CNCc2cc(C)on2)C1 ZINC000394533382 357364220 /nfs/dbraw/zinc/36/42/20/357364220.db2.gz MBPGGXDLAQZDBJ-STQMWFEESA-N 0 3 236.359 3.289 20 0 BGADHN Cc1cc(CNCCC2CCCCCC2)on1 ZINC000394539926 357364952 /nfs/dbraw/zinc/36/49/52/357364952.db2.gz SKLPKJYHQDWGTD-UHFFFAOYSA-N 0 3 236.359 3.433 20 0 BGADHN CO[C@@H]1CCCC[C@H]1NCc1csc(C)c1 ZINC000394550533 259366635 /nfs/dbraw/zinc/36/66/35/259366635.db2.gz HRJUEOZBRXABST-CHWSQXEVSA-N 0 3 239.384 3.104 20 0 BGADHN CO[C@H]1CCCC[C@H]1NCc1csc(C)c1 ZINC000394550537 259366654 /nfs/dbraw/zinc/36/66/54/259366654.db2.gz HRJUEOZBRXABST-OLZOCXBDSA-N 0 3 239.384 3.104 20 0 BGADHN CO[C@@H]1CCCC[C@@H]1NCc1csc(C)c1 ZINC000394550540 259366686 /nfs/dbraw/zinc/36/66/86/259366686.db2.gz HRJUEOZBRXABST-QWHCGFSZSA-N 0 3 239.384 3.104 20 0 BGADHN CO[C@H]1CCCC[C@@H]1NCc1csc(C)c1 ZINC000394550542 259366644 /nfs/dbraw/zinc/36/66/44/259366644.db2.gz HRJUEOZBRXABST-STQMWFEESA-N 0 3 239.384 3.104 20 0 BGADHN Cc1nc(C)c(CNCC2(C)CCCCC2)o1 ZINC000394565289 352555667 /nfs/dbraw/zinc/55/56/67/352555667.db2.gz OHAMDFXAFXOXIR-UHFFFAOYSA-N 0 3 236.359 3.351 20 0 BGADHN CCOC[C@H](C)N[C@H](C)c1csc(C)c1 ZINC000394575280 346952465 /nfs/dbraw/zinc/95/24/65/346952465.db2.gz VNZXSRPLBRTVAV-GXSJLCMTSA-N 0 3 227.373 3.132 20 0 BGADHN CCOC[C@H](C)N[C@@H](C)c1csc(C)c1 ZINC000394575285 346952214 /nfs/dbraw/zinc/95/22/14/346952214.db2.gz VNZXSRPLBRTVAV-ONGXEEELSA-N 0 3 227.373 3.132 20 0 BGADHN c1cc(CNCCC2CCCCCC2)on1 ZINC000394576356 357360153 /nfs/dbraw/zinc/36/01/53/357360153.db2.gz PIBUIIROCPUYAH-UHFFFAOYSA-N 0 3 222.332 3.125 20 0 BGADHN Cc1cc(CNCC2(C)CCCCCC2)on1 ZINC000394597433 582996300 /nfs/dbraw/zinc/99/63/00/582996300.db2.gz BPWWKXHRGKPWHC-UHFFFAOYSA-N 0 3 236.359 3.433 20 0 BGADHN CC(C)n1nccc1CN[C@H]1CC12CCCCC2 ZINC000394606905 342809011 /nfs/dbraw/zinc/80/90/11/342809011.db2.gz NETWNIJFTZQTDT-AWEZNQCLSA-N 0 3 247.386 3.276 20 0 BGADHN CC(C)n1nccc1CN[C@@H]1CC12CCCCC2 ZINC000394606906 342809047 /nfs/dbraw/zinc/80/90/47/342809047.db2.gz NETWNIJFTZQTDT-CQSZACIVSA-N 0 3 247.386 3.276 20 0 BGADHN Cc1cnc(CN[C@@H](C)[C@@H]2CC3CCC2CC3)o1 ZINC000394624747 411120178 /nfs/dbraw/zinc/12/01/78/411120178.db2.gz GKTGJERLFWMEAH-ABXWRUBCSA-N 0 3 248.370 3.287 20 0 BGADHN Cc1cnc(CN[C@H](C)[C@H]2CC3CCC2CC3)o1 ZINC000394624750 410812172 /nfs/dbraw/zinc/81/21/72/410812172.db2.gz GKTGJERLFWMEAH-BLYZHGLHSA-N 0 3 248.370 3.287 20 0 BGADHN Cc1cnc(CN[C@@H](C)[C@H]2CC3CCC2CC3)o1 ZINC000394624752 411120243 /nfs/dbraw/zinc/12/02/43/411120243.db2.gz GKTGJERLFWMEAH-GFJIZPEISA-N 0 3 248.370 3.287 20 0 BGADHN Cc1cnc(CN[C@H](C)[C@@H]2CC3CCC2CC3)o1 ZINC000394624755 411120288 /nfs/dbraw/zinc/12/02/88/411120288.db2.gz GKTGJERLFWMEAH-RYSNWHEDSA-N 0 3 248.370 3.287 20 0 BGADHN Cc1cc(CNCC2(C)CCCCC2)no1 ZINC000394640052 323087408 /nfs/dbraw/zinc/08/74/08/323087408.db2.gz UOXACFWHEYLHSV-UHFFFAOYSA-N 0 3 222.332 3.043 20 0 BGADHN CCC1(NCc2ccn(C(C)C)n2)CCCC1 ZINC000394665970 323090483 /nfs/dbraw/zinc/09/04/83/323090483.db2.gz URQDHFYLMNFQGB-UHFFFAOYSA-N 0 3 235.375 3.276 20 0 BGADHN C[C@@H](N[C@@H](C)c1ncc[nH]1)[C@@H]1CC2CCC1CC2 ZINC000394672724 357376014 /nfs/dbraw/zinc/37/60/14/357376014.db2.gz UAAMAXNXHAAKJS-CJQNXBEJSA-N 0 3 247.386 3.275 20 0 BGADHN C[C@H](N[C@@H](C)[C@H]1CC2CCC1CC2)c1ncc[nH]1 ZINC000394672726 357376032 /nfs/dbraw/zinc/37/60/32/357376032.db2.gz UAAMAXNXHAAKJS-HRDMENRUSA-N 0 3 247.386 3.275 20 0 BGADHN C[C@H](N[C@@H](C)[C@@H]1CC2CCC1CC2)c1ncc[nH]1 ZINC000394672728 357375993 /nfs/dbraw/zinc/37/59/93/357375993.db2.gz UAAMAXNXHAAKJS-LFSIAQGGSA-N 0 3 247.386 3.275 20 0 BGADHN C[C@@H](N[C@@H](C)c1ncc[nH]1)[C@H]1CC2CCC1CC2 ZINC000394672731 357375991 /nfs/dbraw/zinc/37/59/91/357375991.db2.gz UAAMAXNXHAAKJS-XPXVYLNCSA-N 0 3 247.386 3.275 20 0 BGADHN Cc1cnc(CNCCC(C)(C)C2CC2)s1 ZINC000394717400 323091927 /nfs/dbraw/zinc/09/19/27/323091927.db2.gz BGZRZWQYFMZBGE-UHFFFAOYSA-N 0 3 238.400 3.367 20 0 BGADHN CC[C@@H](NCC1CC(F)(F)C1)c1nccs1 ZINC000394721279 385898546 /nfs/dbraw/zinc/89/85/46/385898546.db2.gz FNAURASOOBATJZ-SECBINFHSA-N 0 3 246.326 3.229 20 0 BGADHN CC[C@H](NCC1CC(F)(F)C1)c1nccs1 ZINC000394721284 385898366 /nfs/dbraw/zinc/89/83/66/385898366.db2.gz FNAURASOOBATJZ-VIFPVBQESA-N 0 3 246.326 3.229 20 0 BGADHN Cc1cnc(CNC[C@H]2CCCC2(C)C)s1 ZINC000394722107 385904834 /nfs/dbraw/zinc/90/48/34/385904834.db2.gz GFRKVJKSUUGYGR-LLVKDONJSA-N 0 3 238.400 3.367 20 0 BGADHN Cc1cnc(CNC[C@@H]2CCCC2(C)C)s1 ZINC000394722110 385905030 /nfs/dbraw/zinc/90/50/30/385905030.db2.gz GFRKVJKSUUGYGR-NSHDSACASA-N 0 3 238.400 3.367 20 0 BGADHN Cc1cnc(CNC(C)(C)C(C)(C)C)s1 ZINC000394727696 262754347 /nfs/dbraw/zinc/75/43/47/262754347.db2.gz OVBMONZQXWABTC-UHFFFAOYSA-N 0 3 226.389 3.366 20 0 BGADHN Cc1cnc(CNCC2(C3CC3)CCC2)s1 ZINC000394729308 323095657 /nfs/dbraw/zinc/09/56/57/323095657.db2.gz LUVCRQVLJUACKQ-UHFFFAOYSA-N 0 3 236.384 3.121 20 0 BGADHN Cc1cnc(CNCC2(CC(C)C)CC2)s1 ZINC000394730142 323095587 /nfs/dbraw/zinc/09/55/87/323095587.db2.gz MOURTYCFPURIBN-UHFFFAOYSA-N 0 3 238.400 3.367 20 0 BGADHN Cc1cnc(CNCCCCC(C)C)s1 ZINC000394735705 711689877 /nfs/dbraw/zinc/68/98/77/711689877.db2.gz VPFIFDBGXNHSHI-UHFFFAOYSA-N 0 3 226.389 3.367 20 0 BGADHN Cc1nc(CN[C@@H]2CCCC23CCC3)cs1 ZINC000394742658 411330090 /nfs/dbraw/zinc/33/00/90/411330090.db2.gz SFPJNBHYERPFFP-GFCCVEGCSA-N 0 3 236.384 3.264 20 0 BGADHN Cc1nc(CN[C@H]2CCCC23CCC3)cs1 ZINC000394742661 410821478 /nfs/dbraw/zinc/82/14/78/410821478.db2.gz SFPJNBHYERPFFP-LBPRGKRZSA-N 0 3 236.384 3.264 20 0 BGADHN Cc1cnc(CNCC2C(C)(C)C2(C)C)s1 ZINC000394746736 323100772 /nfs/dbraw/zinc/10/07/72/323100772.db2.gz NHMUQQGPSVUADT-UHFFFAOYSA-N 0 3 238.400 3.223 20 0 BGADHN c1coc(CN[C@@H]2CCCC23CCC3)c1 ZINC000394782905 323108896 /nfs/dbraw/zinc/10/88/96/323108896.db2.gz IDILDQWEJGSYTB-GFCCVEGCSA-N 0 3 205.301 3.092 20 0 BGADHN c1coc(CN[C@H]2CCCC23CCC3)c1 ZINC000394782906 323108954 /nfs/dbraw/zinc/10/89/54/323108954.db2.gz IDILDQWEJGSYTB-LBPRGKRZSA-N 0 3 205.301 3.092 20 0 BGADHN Cc1nc(C)c(CNC[C@@H]2CCCC[C@@H]2C)o1 ZINC000394785845 361354783 /nfs/dbraw/zinc/35/47/83/361354783.db2.gz JHLRXFUBADNXBE-GWCFXTLKSA-N 0 3 236.359 3.207 20 0 BGADHN Cc1nc(C)c(CNC[C@H]2CCCC[C@@H]2C)o1 ZINC000394785853 361354846 /nfs/dbraw/zinc/35/48/46/361354846.db2.gz JHLRXFUBADNXBE-GXFFZTMASA-N 0 3 236.359 3.207 20 0 BGADHN Cc1nc(C)c(CNC[C@@H]2CCCC[C@H]2C)o1 ZINC000394785855 361354808 /nfs/dbraw/zinc/35/48/08/361354808.db2.gz JHLRXFUBADNXBE-MFKMUULPSA-N 0 3 236.359 3.207 20 0 BGADHN Cc1nc(C)c(CNC[C@H]2CCCC[C@H]2C)o1 ZINC000394785856 350754455 /nfs/dbraw/zinc/75/44/55/350754455.db2.gz JHLRXFUBADNXBE-ZWNOBZJWSA-N 0 3 236.359 3.207 20 0 BGADHN CCc1nc(C)c(CN[C@@H]2CCCC23CCC3)o1 ZINC000394787691 398156206 /nfs/dbraw/zinc/15/62/06/398156206.db2.gz LJHQIAKSPBYUHA-CYBMUJFWSA-N 0 3 248.370 3.358 20 0 BGADHN CCc1nc(C)c(CN[C@H]2CCCC23CCC3)o1 ZINC000394787697 398155969 /nfs/dbraw/zinc/15/59/69/398155969.db2.gz LJHQIAKSPBYUHA-ZDUSSCGKSA-N 0 3 248.370 3.358 20 0 BGADHN Cc1ccoc1CN[C@@H]1CCCC12CCC2 ZINC000394813723 386441299 /nfs/dbraw/zinc/44/12/99/386441299.db2.gz PWPJAJFNBYZKQW-CYBMUJFWSA-N 0 3 219.328 3.400 20 0 BGADHN Cc1ccoc1CN[C@H]1CCCC12CCC2 ZINC000394813724 386442607 /nfs/dbraw/zinc/44/26/07/386442607.db2.gz PWPJAJFNBYZKQW-ZDUSSCGKSA-N 0 3 219.328 3.400 20 0 BGADHN Cc1cnc(CNCC(C)(C)C2CCC2)s1 ZINC000394828561 323085745 /nfs/dbraw/zinc/08/57/45/323085745.db2.gz BKIPTXVMCOHBLP-UHFFFAOYSA-N 0 3 238.400 3.367 20 0 BGADHN CCCNCc1ccsc1C(F)(F)F ZINC000394830094 357382786 /nfs/dbraw/zinc/38/27/86/357382786.db2.gz JATJJTZMGZBIRD-UHFFFAOYSA-N 0 3 223.263 3.267 20 0 BGADHN Cc1cnc(CN[C@@H](C2CC2)C2CCC2)s1 ZINC000394832736 323127172 /nfs/dbraw/zinc/12/71/72/323127172.db2.gz FEBHRXMCUJJOGK-CYBMUJFWSA-N 0 3 236.384 3.120 20 0 BGADHN Cc1cnc(CN[C@H](C2CC2)C2CCC2)s1 ZINC000394832737 323127091 /nfs/dbraw/zinc/12/70/91/323127091.db2.gz FEBHRXMCUJJOGK-ZDUSSCGKSA-N 0 3 236.384 3.120 20 0 BGADHN CC(C)NCc1ccsc1C(F)(F)F ZINC000394845487 357383074 /nfs/dbraw/zinc/38/30/74/357383074.db2.gz RGMQSFCMPJSCSZ-UHFFFAOYSA-N 0 3 223.263 3.265 20 0 BGADHN FC(F)(F)c1sccc1CNC1CC1 ZINC000394845647 351049733 /nfs/dbraw/zinc/04/97/33/351049733.db2.gz RKMALRGMMCSQHI-UHFFFAOYSA-N 0 3 221.247 3.019 20 0 BGADHN CCC(=O)CCCN(C)Cc1sccc1C ZINC000394902056 386598768 /nfs/dbraw/zinc/59/87/68/386598768.db2.gz OZRWOKFSTNGWHR-UHFFFAOYSA-N 0 3 239.384 3.248 20 0 BGADHN CC/C=C/CNCc1cc(C)sc1C ZINC000394958300 386759683 /nfs/dbraw/zinc/75/96/83/386759683.db2.gz MDKUNDVWLCCBOC-AATRIKPKSA-N 0 3 209.358 3.421 20 0 BGADHN CC/C=C\CNCc1cc(C)sc1C ZINC000394958302 357401519 /nfs/dbraw/zinc/40/15/19/357401519.db2.gz MDKUNDVWLCCBOC-WAYWQWQTSA-N 0 3 209.358 3.421 20 0 BGADHN CC/C=C\CNCc1ccc(OC(F)F)cc1 ZINC000394959364 386759051 /nfs/dbraw/zinc/75/90/51/386759051.db2.gz MMJJVTDJDVQSMM-ARJAWSKDSA-N 0 3 241.281 3.344 20 0 BGADHN CC/C=C/CNCc1ccc(OC(F)F)cc1 ZINC000394959365 386759114 /nfs/dbraw/zinc/75/91/14/386759114.db2.gz MMJJVTDJDVQSMM-ONEGZZNKSA-N 0 3 241.281 3.344 20 0 BGADHN C/C=C\CNCc1ccc(OC)c(Cl)c1 ZINC000394970507 344015784 /nfs/dbraw/zinc/01/57/84/344015784.db2.gz JIBDSUQPCNURQS-ARJAWSKDSA-N 0 3 225.719 3.014 20 0 BGADHN C/C=C/CNCc1ccc(OC)c(Cl)c1 ZINC000394970508 344015795 /nfs/dbraw/zinc/01/57/95/344015795.db2.gz JIBDSUQPCNURQS-ONEGZZNKSA-N 0 3 225.719 3.014 20 0 BGADHN Cc1nc(C)c(CN[C@H](C)CC(C)(C)C)o1 ZINC000394971298 362103560 /nfs/dbraw/zinc/10/35/60/362103560.db2.gz JOSMIVBIXJUXSF-SECBINFHSA-N 0 3 224.348 3.206 20 0 BGADHN Cc1nc(C)c(CN[C@@H](C)CC(C)(C)C)o1 ZINC000394971339 362103442 /nfs/dbraw/zinc/10/34/42/362103442.db2.gz JOSMIVBIXJUXSF-VIFPVBQESA-N 0 3 224.348 3.206 20 0 BGADHN C[C@@H]1C[C@@H](NCc2sccc2Cl)[C@H](C)O1 ZINC000394985529 362114576 /nfs/dbraw/zinc/11/45/76/362114576.db2.gz YNNXFHWIIGVHNF-KHQFGBGNSA-N 0 3 245.775 3.057 20 0 BGADHN C[C@@H]1C[C@H](NCc2sccc2Cl)[C@@H](C)O1 ZINC000394985530 362114477 /nfs/dbraw/zinc/11/44/77/362114477.db2.gz YNNXFHWIIGVHNF-MRTMQBJTSA-N 0 3 245.775 3.057 20 0 BGADHN C[C@@H]1C[C@@H](NCc2sccc2Cl)[C@@H](C)O1 ZINC000394985532 362114615 /nfs/dbraw/zinc/11/46/15/362114615.db2.gz YNNXFHWIIGVHNF-NQMVMOMDSA-N 0 3 245.775 3.057 20 0 BGADHN C[C@@H]1C[C@H](NCc2sccc2Cl)[C@H](C)O1 ZINC000394985534 362114664 /nfs/dbraw/zinc/11/46/64/362114664.db2.gz YNNXFHWIIGVHNF-WEDXCCLWSA-N 0 3 245.775 3.057 20 0 BGADHN CC/C=C\CNCc1cc(Cl)cs1 ZINC000394989651 386788337 /nfs/dbraw/zinc/78/83/37/386788337.db2.gz BRLSLEAWBFAIEZ-ARJAWSKDSA-N 0 3 215.749 3.457 20 0 BGADHN CC/C=C/CNCc1cc(Cl)cs1 ZINC000394989652 386788108 /nfs/dbraw/zinc/78/81/08/386788108.db2.gz BRLSLEAWBFAIEZ-ONEGZZNKSA-N 0 3 215.749 3.457 20 0 BGADHN Cc1cc(CN[C@@H]2C[C@@H](C)O[C@H]2C)c(C)s1 ZINC000394990771 410834722 /nfs/dbraw/zinc/83/47/22/410834722.db2.gz DUZZKZAWTBREBR-DFAYQTQMSA-N 0 3 239.384 3.020 20 0 BGADHN Cc1cc(CN[C@@H]2C[C@H](C)O[C@H]2C)c(C)s1 ZINC000394990774 410834165 /nfs/dbraw/zinc/83/41/65/410834165.db2.gz DUZZKZAWTBREBR-GMOODISLSA-N 0 3 239.384 3.020 20 0 BGADHN Cc1cc(CN[C@@H]2C[C@H](C)O[C@@H]2C)c(C)s1 ZINC000394990778 410834331 /nfs/dbraw/zinc/83/43/31/410834331.db2.gz DUZZKZAWTBREBR-IYYTYJHQSA-N 0 3 239.384 3.020 20 0 BGADHN Cc1cc(CN[C@@H]2C[C@@H](C)O[C@@H]2C)c(C)s1 ZINC000394990781 410834577 /nfs/dbraw/zinc/83/45/77/410834577.db2.gz DUZZKZAWTBREBR-ZDSQKVDBSA-N 0 3 239.384 3.020 20 0 BGADHN Cc1cccc(CNC2CC(C)C2)c1F ZINC000394998510 386796343 /nfs/dbraw/zinc/79/63/43/386796343.db2.gz OVVMHMURDXGYCO-UHFFFAOYSA-N 0 3 207.292 3.022 20 0 BGADHN CC/C=C\CN[C@H](C)c1ccc2c(c1)OCO2 ZINC000394999607 386795899 /nfs/dbraw/zinc/79/58/99/386795899.db2.gz FTSWJEFORKZTLC-DOGVGXBMSA-N 0 3 233.311 3.032 20 0 BGADHN CC/C=C/CN[C@H](C)c1ccc2c(c1)OCO2 ZINC000394999612 386797633 /nfs/dbraw/zinc/79/76/33/386797633.db2.gz FTSWJEFORKZTLC-SGUJLRQBSA-N 0 3 233.311 3.032 20 0 BGADHN CC/C=C\CN[C@@H](C)c1ccc2c(c1)OCO2 ZINC000394999615 386796554 /nfs/dbraw/zinc/79/65/54/386796554.db2.gz FTSWJEFORKZTLC-WYGGZMRJSA-N 0 3 233.311 3.032 20 0 BGADHN CC/C=C/CN[C@@H](C)c1ccc2c(c1)OCO2 ZINC000394999618 386797371 /nfs/dbraw/zinc/79/73/71/386797371.db2.gz FTSWJEFORKZTLC-ZWNMCFTASA-N 0 3 233.311 3.032 20 0 BGADHN CC/C=C\CN[C@@H]1CCc2ccc(OC)cc21 ZINC000395010800 386803163 /nfs/dbraw/zinc/80/31/63/386803163.db2.gz JPWFZOFXTCRDFZ-FOSCPCJNSA-N 0 3 231.339 3.238 20 0 BGADHN CC/C=C/CN[C@@H]1CCc2ccc(OC)cc21 ZINC000395010804 386802618 /nfs/dbraw/zinc/80/26/18/386802618.db2.gz JPWFZOFXTCRDFZ-MBVDDHJVSA-N 0 3 231.339 3.238 20 0 BGADHN CC/C=C/CN[C@H]1CCc2ccc(OC)cc21 ZINC000395010809 386802579 /nfs/dbraw/zinc/80/25/79/386802579.db2.gz JPWFZOFXTCRDFZ-RGDDUWESSA-N 0 3 231.339 3.238 20 0 BGADHN CC/C=C\CN[C@H]1CCc2ccc(OC)cc21 ZINC000395010813 386803110 /nfs/dbraw/zinc/80/31/10/386803110.db2.gz JPWFZOFXTCRDFZ-XVWMLYKFSA-N 0 3 231.339 3.238 20 0 BGADHN C/C=C\CNCc1ccc(Cl)cc1C ZINC000395034848 398248246 /nfs/dbraw/zinc/24/82/46/398248246.db2.gz IAQNPAPLTOWRLL-ARJAWSKDSA-N 0 3 209.720 3.314 20 0 BGADHN C/C=C/CNCc1ccc(Cl)cc1C ZINC000395034850 398248345 /nfs/dbraw/zinc/24/83/45/398248345.db2.gz IAQNPAPLTOWRLL-ONEGZZNKSA-N 0 3 209.720 3.314 20 0 BGADHN C/C=C/CNCc1cccc(OCCC)c1 ZINC000395035943 398248223 /nfs/dbraw/zinc/24/82/23/398248223.db2.gz LZDUEYGXVMKOPH-HWKANZROSA-N 0 3 219.328 3.141 20 0 BGADHN C/C=C\CNCc1cccc(OCCC)c1 ZINC000395035947 398248165 /nfs/dbraw/zinc/24/81/65/398248165.db2.gz LZDUEYGXVMKOPH-HYXAFXHYSA-N 0 3 219.328 3.141 20 0 BGADHN CC/C=C\CNCc1cc(F)ccc1C ZINC000395042685 386811894 /nfs/dbraw/zinc/81/18/94/386811894.db2.gz OANKGLKSSOKQCC-PLNGDYQASA-N 0 3 207.292 3.190 20 0 BGADHN CC/C=C/CNCc1cc(F)ccc1C ZINC000395042687 386810208 /nfs/dbraw/zinc/81/02/08/386810208.db2.gz OANKGLKSSOKQCC-SNAWJCMRSA-N 0 3 207.292 3.190 20 0 BGADHN C/C=C\CNCc1ccc(OC(C)C)cc1 ZINC000395044870 355357694 /nfs/dbraw/zinc/35/76/94/355357694.db2.gz ONOUXQDWVZYUPP-PLNGDYQASA-N 0 3 219.328 3.140 20 0 BGADHN C/C=C/CNCc1ccc(OC(C)C)cc1 ZINC000395044873 344041351 /nfs/dbraw/zinc/04/13/51/344041351.db2.gz ONOUXQDWVZYUPP-SNAWJCMRSA-N 0 3 219.328 3.140 20 0 BGADHN C/C=C\CNCc1ccc2nc(C)ccc2c1 ZINC000395047500 344042385 /nfs/dbraw/zinc/04/23/85/344042385.db2.gz LHCFOAGVXWDVIO-ARJAWSKDSA-N 0 3 226.323 3.209 20 0 BGADHN C/C=C/CNCc1ccc2nc(C)ccc2c1 ZINC000395047501 344042389 /nfs/dbraw/zinc/04/23/89/344042389.db2.gz LHCFOAGVXWDVIO-ONEGZZNKSA-N 0 3 226.323 3.209 20 0 BGADHN C/C=C\CN[C@@H]1CCCc2cc(OC)ccc21 ZINC000395048143 344042424 /nfs/dbraw/zinc/04/24/24/344042424.db2.gz PLYQBXIFOPOEOS-ABCZVMIZSA-N 0 3 231.339 3.238 20 0 BGADHN C/C=C/CN[C@H]1CCCc2cc(OC)ccc21 ZINC000395048145 344042443 /nfs/dbraw/zinc/04/24/43/344042443.db2.gz PLYQBXIFOPOEOS-BWPKMQGJSA-N 0 3 231.339 3.238 20 0 BGADHN C/C=C\CN[C@H]1CCCc2cc(OC)ccc21 ZINC000395048147 344042145 /nfs/dbraw/zinc/04/21/45/344042145.db2.gz PLYQBXIFOPOEOS-JZIMQPMSSA-N 0 3 231.339 3.238 20 0 BGADHN C/C=C/CN[C@@H]1CCCc2cc(OC)ccc21 ZINC000395048149 344042358 /nfs/dbraw/zinc/04/23/58/344042358.db2.gz PLYQBXIFOPOEOS-NHZBNJEXSA-N 0 3 231.339 3.238 20 0 BGADHN CC/C=C\CN[C@H](C)c1ccc(F)cc1 ZINC000395050928 262759680 /nfs/dbraw/zinc/75/96/80/262759680.db2.gz QFAZBWCZRUUHMZ-DOGVGXBMSA-N 0 3 207.292 3.443 20 0 BGADHN CC/C=C/CN[C@H](C)c1ccc(F)cc1 ZINC000395050932 386813815 /nfs/dbraw/zinc/81/38/15/386813815.db2.gz QFAZBWCZRUUHMZ-SGUJLRQBSA-N 0 3 207.292 3.443 20 0 BGADHN CC/C=C\CN[C@@H](C)c1ccc(F)cc1 ZINC000395050936 386812614 /nfs/dbraw/zinc/81/26/14/386812614.db2.gz QFAZBWCZRUUHMZ-WYGGZMRJSA-N 0 3 207.292 3.443 20 0 BGADHN CC/C=C/CN[C@@H](C)c1ccc(F)cc1 ZINC000395050939 386813062 /nfs/dbraw/zinc/81/30/62/386813062.db2.gz QFAZBWCZRUUHMZ-ZWNMCFTASA-N 0 3 207.292 3.443 20 0 BGADHN CC/C=C\CNCc1cnc(C(C)(C)C)s1 ZINC000395051823 386813156 /nfs/dbraw/zinc/81/31/56/386813156.db2.gz WPHXABNYVVWUDK-SREVYHEPSA-N 0 3 238.400 3.496 20 0 BGADHN CC/C=C/CNCc1cnc(C(C)(C)C)s1 ZINC000395051824 262759798 /nfs/dbraw/zinc/75/97/98/262759798.db2.gz WPHXABNYVVWUDK-VOTSOKGWSA-N 0 3 238.400 3.496 20 0 BGADHN CCc1cnc(CNCCCC(C)(F)F)s1 ZINC000395058881 386813601 /nfs/dbraw/zinc/81/36/01/386813601.db2.gz RRJXUNIFKMRSDU-UHFFFAOYSA-N 0 3 248.342 3.231 20 0 BGADHN Cc1cccc(CNCCc2ccco2)c1F ZINC000395072620 386845560 /nfs/dbraw/zinc/84/55/60/386845560.db2.gz SGPAFJKCNQBTRW-UHFFFAOYSA-N 0 3 233.286 3.059 20 0 BGADHN CC/C=C\CNCc1c[nH]nc1-c1ccccc1 ZINC000395077941 386847552 /nfs/dbraw/zinc/84/75/52/386847552.db2.gz RRPRYHUXKQAUAM-CLTKARDFSA-N 0 3 241.338 3.133 20 0 BGADHN CC/C=C/CNCc1c[nH]nc1-c1ccccc1 ZINC000395077942 386846752 /nfs/dbraw/zinc/84/67/52/386846752.db2.gz RRPRYHUXKQAUAM-XVNBXDOJSA-N 0 3 241.338 3.133 20 0 BGADHN CC/C=C/CN[C@H](C)c1cccc(OC)c1 ZINC000395107175 323187243 /nfs/dbraw/zinc/18/72/43/323187243.db2.gz HQWPRQJUHVGNMS-BTDICHCPSA-N 0 3 219.328 3.312 20 0 BGADHN CC/C=C\CN[C@@H](C)c1cccc(OC)c1 ZINC000395107182 323187194 /nfs/dbraw/zinc/18/71/94/323187194.db2.gz HQWPRQJUHVGNMS-FJOGCWAESA-N 0 3 219.328 3.312 20 0 BGADHN CC/C=C\CN[C@H](C)c1cccc(OC)c1 ZINC000395107184 323187188 /nfs/dbraw/zinc/18/71/88/323187188.db2.gz HQWPRQJUHVGNMS-FOQNGQEVSA-N 0 3 219.328 3.312 20 0 BGADHN CC/C=C/CN[C@@H](C)c1cccc(OC)c1 ZINC000395107186 323187205 /nfs/dbraw/zinc/18/72/05/323187205.db2.gz HQWPRQJUHVGNMS-FYJFLYSWSA-N 0 3 219.328 3.312 20 0 BGADHN CC/C=C/CNCc1ccccc1OCC ZINC000395121880 323188156 /nfs/dbraw/zinc/18/81/56/323188156.db2.gz NGVKTZSCKUQDEF-VMPITWQZSA-N 0 3 219.328 3.141 20 0 BGADHN CC/C=C\CNCc1ccccc1OCC ZINC000395121881 323188230 /nfs/dbraw/zinc/18/82/30/323188230.db2.gz NGVKTZSCKUQDEF-YVMONPNESA-N 0 3 219.328 3.141 20 0 BGADHN c1cc(CNCCCC2CCCCC2)on1 ZINC000395126802 357413995 /nfs/dbraw/zinc/41/39/95/357413995.db2.gz CLHQNCKBVLNYQX-UHFFFAOYSA-N 0 3 222.332 3.125 20 0 BGADHN CC/C=C\CNCc1ccc(OCC)c(OC)c1 ZINC000395127857 323188291 /nfs/dbraw/zinc/18/82/91/323188291.db2.gz BQUYERSEVCHULW-SREVYHEPSA-N 0 3 249.354 3.150 20 0 BGADHN CC/C=C/CNCc1ccc(OCC)c(OC)c1 ZINC000395127858 323188262 /nfs/dbraw/zinc/18/82/62/323188262.db2.gz BQUYERSEVCHULW-VOTSOKGWSA-N 0 3 249.354 3.150 20 0 BGADHN Cc1nccnc1[C@@H](C)N[C@@H](C)CC(C)(C)C ZINC000395130186 323188357 /nfs/dbraw/zinc/18/83/57/323188357.db2.gz QAJXDLCFKYQFDY-CMPLNLGQSA-N 0 3 235.375 3.260 20 0 BGADHN Cc1nccnc1[C@H](C)N[C@@H](C)CC(C)(C)C ZINC000395130197 323188406 /nfs/dbraw/zinc/18/84/06/323188406.db2.gz QAJXDLCFKYQFDY-JQWIXIFHSA-N 0 3 235.375 3.260 20 0 BGADHN Cc1nccnc1[C@H](C)N[C@H](C)CC(C)(C)C ZINC000395130199 323188289 /nfs/dbraw/zinc/18/82/89/323188289.db2.gz QAJXDLCFKYQFDY-PWSUYJOCSA-N 0 3 235.375 3.260 20 0 BGADHN Cc1nccnc1[C@@H](C)N[C@H](C)CC(C)(C)C ZINC000395130202 323188401 /nfs/dbraw/zinc/18/84/01/323188401.db2.gz QAJXDLCFKYQFDY-ZYHUDNBSSA-N 0 3 235.375 3.260 20 0 BGADHN C/C=C/CNCc1ccc(OC(C)C)c(OC)c1 ZINC000395134068 344097552 /nfs/dbraw/zinc/09/75/52/344097552.db2.gz DYHPEBJKVJTPEI-AATRIKPKSA-N 0 3 249.354 3.148 20 0 BGADHN C/C=C\CNCc1ccc(OC(C)C)c(OC)c1 ZINC000395134072 344097545 /nfs/dbraw/zinc/09/75/45/344097545.db2.gz DYHPEBJKVJTPEI-WAYWQWQTSA-N 0 3 249.354 3.148 20 0 BGADHN Cc1ccc([O-])c(C[NH2+][C@H](C)CC(C)(C)C)n1 ZINC000395143545 262765766 /nfs/dbraw/zinc/76/57/66/262765766.db2.gz UNMCFFPELLLRTH-LLVKDONJSA-N 0 3 236.359 3.010 20 0 BGADHN Cc1ccc([O-])c(C[NH2+][C@@H](C)CC(C)(C)C)n1 ZINC000395143554 386944304 /nfs/dbraw/zinc/94/43/04/386944304.db2.gz UNMCFFPELLLRTH-NSHDSACASA-N 0 3 236.359 3.010 20 0 BGADHN Cc1cnc(CN[C@H](C)CC(C)(C)C)s1 ZINC000395145101 386944495 /nfs/dbraw/zinc/94/44/95/386944495.db2.gz UYCKQAQRKXIQBW-SECBINFHSA-N 0 3 226.389 3.366 20 0 BGADHN Cc1cnc(CN[C@@H](C)CC(C)(C)C)s1 ZINC000395145103 386944115 /nfs/dbraw/zinc/94/41/15/386944115.db2.gz UYCKQAQRKXIQBW-VIFPVBQESA-N 0 3 226.389 3.366 20 0 BGADHN COc1ccc(CNC2CC(C)(C)C2)c(F)c1 ZINC000395163836 386952260 /nfs/dbraw/zinc/95/22/60/386952260.db2.gz BEMPOARSZDQIOO-UHFFFAOYSA-N 0 3 237.318 3.113 20 0 BGADHN CC(C)Oc1ncccc1CNC1CC(C)(C)C1 ZINC000395165635 583046195 /nfs/dbraw/zinc/04/61/95/583046195.db2.gz ACLHTHLNWDWHCM-UHFFFAOYSA-N 0 3 248.370 3.147 20 0 BGADHN CC1(C)CC(NCc2cccc(F)c2F)C1 ZINC000395167571 357415950 /nfs/dbraw/zinc/41/59/50/357415950.db2.gz DUWVSNHBFISSDE-UHFFFAOYSA-N 0 3 225.282 3.243 20 0 BGADHN COc1ccc(C)cc1CNC1CC(C)(C)C1 ZINC000395168795 357416127 /nfs/dbraw/zinc/41/61/27/357416127.db2.gz FVBRLLPLZGBRKW-UHFFFAOYSA-N 0 3 233.355 3.282 20 0 BGADHN CC1(C)CC(NCc2cc(F)c(F)c(F)c2)C1 ZINC000395170461 487841223 /nfs/dbraw/zinc/84/12/23/487841223.db2.gz HIXSMVZLZYUTGF-UHFFFAOYSA-N 0 3 243.272 3.382 20 0 BGADHN CC1(C)CC(NCc2cc(F)c(F)cc2F)C1 ZINC000395177107 487841978 /nfs/dbraw/zinc/84/19/78/487841978.db2.gz KWXQMRWVSWQSMK-UHFFFAOYSA-N 0 3 243.272 3.382 20 0 BGADHN COC[C@H](NC1CC(C)(C)C1)c1ccccc1 ZINC000395177154 386960569 /nfs/dbraw/zinc/96/05/69/386960569.db2.gz KZRCNQDEXPFDSQ-AWEZNQCLSA-N 0 3 233.355 3.152 20 0 BGADHN COC[C@@H](NC1CC(C)(C)C1)c1ccccc1 ZINC000395177156 386960368 /nfs/dbraw/zinc/96/03/68/386960368.db2.gz KZRCNQDEXPFDSQ-CQSZACIVSA-N 0 3 233.355 3.152 20 0 BGADHN CC1(C)CC(N[C@@H]2CCCc3cccnc32)C1 ZINC000395180272 488161330 /nfs/dbraw/zinc/16/13/30/488161330.db2.gz MSURCXUGMPQRFZ-CYBMUJFWSA-N 0 3 230.355 3.237 20 0 BGADHN CC1(C)CC(N[C@H]2CCCc3cccnc32)C1 ZINC000395180281 487842007 /nfs/dbraw/zinc/84/20/07/487842007.db2.gz MSURCXUGMPQRFZ-ZDUSSCGKSA-N 0 3 230.355 3.237 20 0 BGADHN COc1ccc(F)cc1CNC1CC(C)(C)C1 ZINC000395181912 386970879 /nfs/dbraw/zinc/97/08/79/386970879.db2.gz ODMAIDWHFCSCGE-UHFFFAOYSA-N 0 3 237.318 3.113 20 0 BGADHN CC[C@@H](NC1CC(C)(C)C1)c1ccc(F)cn1 ZINC000395182333 386970824 /nfs/dbraw/zinc/97/08/24/386970824.db2.gz OKOWWELKJPZBKR-GFCCVEGCSA-N 0 3 236.334 3.450 20 0 BGADHN CC[C@H](NC1CC(C)(C)C1)c1ccc(F)cn1 ZINC000395182335 386972114 /nfs/dbraw/zinc/97/21/14/386972114.db2.gz OKOWWELKJPZBKR-LBPRGKRZSA-N 0 3 236.334 3.450 20 0 BGADHN C[C@@H](NC1CC(C)(C)C1)c1ccc(F)cn1 ZINC000395182412 357417106 /nfs/dbraw/zinc/41/71/06/357417106.db2.gz OSCPJYWOFPHVRF-SECBINFHSA-N 0 3 222.307 3.060 20 0 BGADHN C[C@H](NC1CC(C)(C)C1)c1ccc(F)cn1 ZINC000395182413 357417169 /nfs/dbraw/zinc/41/71/69/357417169.db2.gz OSCPJYWOFPHVRF-VIFPVBQESA-N 0 3 222.307 3.060 20 0 BGADHN CCOc1ccccc1CNC1CC(C)(C)C1 ZINC000395187561 386969111 /nfs/dbraw/zinc/96/91/11/386969111.db2.gz UPBPZABKKSBYJP-UHFFFAOYSA-N 0 3 233.355 3.364 20 0 BGADHN COc1cccc(CNC2CC(C)(C)C2)c1F ZINC000395188047 487841421 /nfs/dbraw/zinc/84/14/21/487841421.db2.gz VGEBJCXWSIGACC-UHFFFAOYSA-N 0 3 237.318 3.113 20 0 BGADHN CC/C=C\CNCc1cc2cccc(OC)c2o1 ZINC000395190634 711204802 /nfs/dbraw/zinc/20/48/02/711204802.db2.gz WLZDZGQPKPHRIB-PLNGDYQASA-N 0 3 245.322 3.497 20 0 BGADHN CC/C=C/CNCc1cc2cccc(OC)c2o1 ZINC000395190636 711204681 /nfs/dbraw/zinc/20/46/81/711204681.db2.gz WLZDZGQPKPHRIB-SNAWJCMRSA-N 0 3 245.322 3.497 20 0 BGADHN CC1(C)CC(NCc2ccncc2Cl)C1 ZINC000395214627 357427885 /nfs/dbraw/zinc/42/78/85/357427885.db2.gz NVBVZOMTARFYPQ-UHFFFAOYSA-N 0 3 224.735 3.013 20 0 BGADHN CC(C)(C)c1ncc(CNC2CC(C)(C)C2)cn1 ZINC000395220775 490327596 /nfs/dbraw/zinc/32/75/96/490327596.db2.gz QEINNVFEQHBWEK-UHFFFAOYSA-N 0 3 247.386 3.052 20 0 BGADHN CC1(C)CC(NCc2ccn(C3CCCC3)n2)C1 ZINC000395227048 323222122 /nfs/dbraw/zinc/22/21/22/323222122.db2.gz SLSUCCCPCAPVOX-UHFFFAOYSA-N 0 3 247.386 3.276 20 0 BGADHN C/C=C\CN[C@@H](CC)c1cccc(F)c1 ZINC000395228079 344126838 /nfs/dbraw/zinc/12/68/38/344126838.db2.gz NIMCGZYOFDRCRK-DXTPNHAXSA-N 0 3 207.292 3.443 20 0 BGADHN C/C=C\CN[C@H](CC)c1cccc(F)c1 ZINC000395228083 344126639 /nfs/dbraw/zinc/12/66/39/344126639.db2.gz NIMCGZYOFDRCRK-HSBHDXMMSA-N 0 3 207.292 3.443 20 0 BGADHN C/C=C/CN[C@@H](CC)c1cccc(F)c1 ZINC000395228085 344126919 /nfs/dbraw/zinc/12/69/19/344126919.db2.gz NIMCGZYOFDRCRK-LQPUYASZSA-N 0 3 207.292 3.443 20 0 BGADHN C/C=C/CN[C@H](CC)c1cccc(F)c1 ZINC000395228088 344126555 /nfs/dbraw/zinc/12/65/55/344126555.db2.gz NIMCGZYOFDRCRK-MASHWEEQSA-N 0 3 207.292 3.443 20 0 BGADHN CC/C=C\CNCc1ccc(OC)c(OCC)c1 ZINC000395242497 262784920 /nfs/dbraw/zinc/78/49/20/262784920.db2.gz QLCCIZUVLYONEY-SREVYHEPSA-N 0 3 249.354 3.150 20 0 BGADHN CC/C=C/CNCc1ccc(OC)c(OCC)c1 ZINC000395242499 262784956 /nfs/dbraw/zinc/78/49/56/262784956.db2.gz QLCCIZUVLYONEY-VOTSOKGWSA-N 0 3 249.354 3.150 20 0 BGADHN CCc1ccc(CNC2CC(C)(C)C2)o1 ZINC000395288345 357431058 /nfs/dbraw/zinc/43/10/58/357431058.db2.gz IIWNWHHJUIBDTA-UHFFFAOYSA-N 0 3 207.317 3.120 20 0 BGADHN CN(C)Cc1cccc(NC2CC(C)(C)C2)c1 ZINC000395306561 386809494 /nfs/dbraw/zinc/80/94/94/386809494.db2.gz VANUZGDLGWBZQC-UHFFFAOYSA-N 0 3 232.371 3.349 20 0 BGADHN C[C@H](CCC(C)(C)C)N[C@H]1CCn2ccnc21 ZINC000395313368 386810286 /nfs/dbraw/zinc/81/02/86/386810286.db2.gz HUOKSKCFVKAOPC-NEPJUHHUSA-N 0 3 235.375 3.132 20 0 BGADHN C[C@@H](CCC(C)(C)C)N[C@@H]1CCn2ccnc21 ZINC000395313370 262786182 /nfs/dbraw/zinc/78/61/82/262786182.db2.gz HUOKSKCFVKAOPC-NWDGAFQWSA-N 0 3 235.375 3.132 20 0 BGADHN C[C@@H](CCC(C)(C)C)N[C@H]1CCn2ccnc21 ZINC000395313372 386811008 /nfs/dbraw/zinc/81/10/08/386811008.db2.gz HUOKSKCFVKAOPC-RYUDHWBXSA-N 0 3 235.375 3.132 20 0 BGADHN C[C@H](CCC(C)(C)C)N[C@@H]1CCn2ccnc21 ZINC000395313373 386812156 /nfs/dbraw/zinc/81/21/56/386812156.db2.gz HUOKSKCFVKAOPC-VXGBXAGGSA-N 0 3 235.375 3.132 20 0 BGADHN Cc1ccoc1CN[C@@H]1C[C@H]1CC(C)C ZINC000395361749 386822902 /nfs/dbraw/zinc/82/29/02/386822902.db2.gz LXBUPKMEBVUAEG-VXGBXAGGSA-N 0 3 207.317 3.112 20 0 BGADHN CC(C)C[C@@H]1C[C@H]1N[C@@H](C)c1ccccn1 ZINC000395370893 386823314 /nfs/dbraw/zinc/82/33/14/386823314.db2.gz OGFGSJWXNURZCL-OUCADQQQSA-N 0 3 218.344 3.167 20 0 BGADHN CC(C)C[C@@H]1C[C@H]1N[C@H](C)c1ccccn1 ZINC000395370899 386822564 /nfs/dbraw/zinc/82/25/64/386822564.db2.gz OGFGSJWXNURZCL-YRGRVCCFSA-N 0 3 218.344 3.167 20 0 BGADHN CN(Cc1ccc(Cl)nc1)C1CC(C)(C)C1 ZINC000395389716 711210525 /nfs/dbraw/zinc/21/05/25/711210525.db2.gz AIAGXGHJHNWHPZ-UHFFFAOYSA-N 0 3 238.762 3.355 20 0 BGADHN CN(Cc1cccc(Cl)n1)C1CC(C)(C)C1 ZINC000395389772 711209968 /nfs/dbraw/zinc/20/99/68/711209968.db2.gz AITHDLIBTXQYRR-UHFFFAOYSA-N 0 3 238.762 3.355 20 0 BGADHN CC(C)(CNCc1ccco1)C1CCC1 ZINC000395409129 386827809 /nfs/dbraw/zinc/82/78/09/386827809.db2.gz WVFHOFQCYKYLGL-UHFFFAOYSA-N 0 3 207.317 3.196 20 0 BGADHN CC(C)C[C@@H]1C[C@H]1N[C@H](C)c1cncc(F)c1 ZINC000395411233 386827134 /nfs/dbraw/zinc/82/71/34/386827134.db2.gz CRTPYYYRESGUJU-JTNHKYCSSA-N 0 3 236.334 3.306 20 0 BGADHN CC(C)C[C@@H]1C[C@H]1N[C@@H](C)c1cncc(F)c1 ZINC000395411235 386829624 /nfs/dbraw/zinc/82/96/24/386829624.db2.gz CRTPYYYRESGUJU-MISXGVKJSA-N 0 3 236.334 3.306 20 0 BGADHN COc1cccc(CNCC(C)(C)C2CCC2)n1 ZINC000395422644 386831472 /nfs/dbraw/zinc/83/14/72/386831472.db2.gz CRASGSQJRKIGEA-UHFFFAOYSA-N 0 3 248.370 3.006 20 0 BGADHN CN(Cc1ccnc(Cl)c1)C1CC(C)(C)C1 ZINC000395434309 711211740 /nfs/dbraw/zinc/21/17/40/711211740.db2.gz MYFBYYVBTJWLCY-UHFFFAOYSA-N 0 3 238.762 3.355 20 0 BGADHN CN(Cc1cccc(F)c1N)C1CC(C)(C)C1 ZINC000395460036 362609445 /nfs/dbraw/zinc/60/94/45/362609445.db2.gz FBNHHHZLBMPBRR-UHFFFAOYSA-N 0 3 236.334 3.028 20 0 BGADHN CN(CCC(=O)c1ccccc1)C1CC(C)(C)C1 ZINC000395470399 323227406 /nfs/dbraw/zinc/22/74/06/323227406.db2.gz UYLNDGYZISJXKT-UHFFFAOYSA-N 0 3 245.366 3.380 20 0 BGADHN CC(C)C[C@@H]1C[C@H]1N[C@H](C)c1cncs1 ZINC000395471862 323226675 /nfs/dbraw/zinc/22/66/75/323226675.db2.gz UQXHFQHEKUFGBS-GMTAPVOTSA-N 0 3 224.373 3.228 20 0 BGADHN CC(C)C[C@@H]1C[C@H]1N[C@@H](C)c1cncs1 ZINC000395471863 323226567 /nfs/dbraw/zinc/22/65/67/323226567.db2.gz UQXHFQHEKUFGBS-HBNTYKKESA-N 0 3 224.373 3.228 20 0 BGADHN Fc1ccc(CN[C@@H]2CC23CCCC3)cc1F ZINC000395634028 323234059 /nfs/dbraw/zinc/23/40/59/323234059.db2.gz FODUPFIUKCKKAM-CYBMUJFWSA-N 0 3 237.293 3.387 20 0 BGADHN Fc1ccc(CN[C@H]2CC23CCCC3)cc1F ZINC000395634030 323233991 /nfs/dbraw/zinc/23/39/91/323233991.db2.gz FODUPFIUKCKKAM-ZDUSSCGKSA-N 0 3 237.293 3.387 20 0 BGADHN CC[C@@H](NCc1cc(C)on1)C1CCCC1 ZINC000395675620 387288171 /nfs/dbraw/zinc/28/81/71/387288171.db2.gz JCOBDVLCQBRKBG-CYBMUJFWSA-N 0 3 222.332 3.041 20 0 BGADHN CC[C@H](NCc1cc(C)on1)C1CCCC1 ZINC000395675621 262790420 /nfs/dbraw/zinc/79/04/20/262790420.db2.gz JCOBDVLCQBRKBG-ZDUSSCGKSA-N 0 3 222.332 3.041 20 0 BGADHN CC[C@@H](NCc1cscn1)C1CCCC1 ZINC000395767627 323241599 /nfs/dbraw/zinc/24/15/99/323241599.db2.gz IQTNNKPVLCCUMP-GFCCVEGCSA-N 0 3 224.373 3.202 20 0 BGADHN CC[C@H](NCc1cscn1)C1CCCC1 ZINC000395767628 323241648 /nfs/dbraw/zinc/24/16/48/323241648.db2.gz IQTNNKPVLCCUMP-LBPRGKRZSA-N 0 3 224.373 3.202 20 0 BGADHN CC(C)[C@@H]1CCCC[N@H+]1Cc1ccc([O-])cc1 ZINC000395773786 583067091 /nfs/dbraw/zinc/06/70/91/583067091.db2.gz WCBVPJFXRYPBGA-HNNXBMFYSA-N 0 3 233.355 3.403 20 0 BGADHN CC(C)[C@@H]1CCCC[N@@H+]1Cc1ccc([O-])cc1 ZINC000395773786 583067090 /nfs/dbraw/zinc/06/70/90/583067090.db2.gz WCBVPJFXRYPBGA-HNNXBMFYSA-N 0 3 233.355 3.403 20 0 BGADHN CC(C)[C@H]1CCCC[N@H+]1Cc1ccc([O-])cc1 ZINC000395773787 583067154 /nfs/dbraw/zinc/06/71/54/583067154.db2.gz WCBVPJFXRYPBGA-OAHLLOKOSA-N 0 3 233.355 3.403 20 0 BGADHN CC(C)[C@H]1CCCC[N@@H+]1Cc1ccc([O-])cc1 ZINC000395773787 583067152 /nfs/dbraw/zinc/06/71/52/583067152.db2.gz WCBVPJFXRYPBGA-OAHLLOKOSA-N 0 3 233.355 3.403 20 0 BGADHN C[C@@H](NCCC1=CCCCC1)c1ccncn1 ZINC000395874262 387496879 /nfs/dbraw/zinc/49/68/79/387496879.db2.gz DVAFLWONMABJMK-GFCCVEGCSA-N 0 3 231.343 3.018 20 0 BGADHN C[C@H](NCCC1=CCCCC1)c1ccncn1 ZINC000395874273 387496824 /nfs/dbraw/zinc/49/68/24/387496824.db2.gz DVAFLWONMABJMK-LBPRGKRZSA-N 0 3 231.343 3.018 20 0 BGADHN CCCC1CCC(N[C@@H](C)c2ccncn2)CC1 ZINC000395881587 387499315 /nfs/dbraw/zinc/49/93/15/387499315.db2.gz HPHDEWDVVUNCJE-HSBZDZAISA-N 0 3 247.386 3.486 20 0 BGADHN CCCC1CCC(N[C@H](C)c2ccncn2)CC1 ZINC000395881589 387497956 /nfs/dbraw/zinc/49/79/56/387497956.db2.gz HPHDEWDVVUNCJE-IYXRBSQSSA-N 0 3 247.386 3.486 20 0 BGADHN C[C@H](N[C@H]1CCC[C@@H](C)CC1)c1ccncn1 ZINC000395882744 387501321 /nfs/dbraw/zinc/50/13/21/387501321.db2.gz JFWLSBJNZRXDRO-AGIUHOORSA-N 0 3 233.359 3.096 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@@H](C)CC1)c1ccncn1 ZINC000395882746 387500581 /nfs/dbraw/zinc/50/05/81/387500581.db2.gz JFWLSBJNZRXDRO-FRRDWIJNSA-N 0 3 233.359 3.096 20 0 BGADHN C[C@@H](N[C@@H]1CCC[C@@H](C)CC1)c1ccncn1 ZINC000395882748 387500988 /nfs/dbraw/zinc/50/09/88/387500988.db2.gz JFWLSBJNZRXDRO-JHJVBQTASA-N 0 3 233.359 3.096 20 0 BGADHN C[C@@H](N[C@H]1CCC[C@@H](C)CC1)c1ccncn1 ZINC000395882752 387502087 /nfs/dbraw/zinc/50/20/87/387502087.db2.gz JFWLSBJNZRXDRO-UPJWGTAASA-N 0 3 233.359 3.096 20 0 BGADHN CCC1(CN[C@H](C)c2ccncn2)CCCC1 ZINC000395882996 387500590 /nfs/dbraw/zinc/50/05/90/387500590.db2.gz IBOTVDCPNVPJAZ-GFCCVEGCSA-N 0 3 233.359 3.098 20 0 BGADHN CCC1(CN[C@@H](C)c2ccncn2)CCCC1 ZINC000395882997 387502096 /nfs/dbraw/zinc/50/20/96/387502096.db2.gz IBOTVDCPNVPJAZ-LBPRGKRZSA-N 0 3 233.359 3.098 20 0 BGADHN C[C@@H](NCC1CCC(C)(C)CC1)c1ccncn1 ZINC000395884989 387500783 /nfs/dbraw/zinc/50/07/83/387500783.db2.gz IQCKANVFVUUNLU-GFCCVEGCSA-N 0 3 247.386 3.344 20 0 BGADHN C[C@H](NCC1CCC(C)(C)CC1)c1ccncn1 ZINC000395884990 262794581 /nfs/dbraw/zinc/79/45/81/262794581.db2.gz IQCKANVFVUUNLU-LBPRGKRZSA-N 0 3 247.386 3.344 20 0 BGADHN C[C@H](CCC(C)(C)C)N[C@@H](C)c1ccncn1 ZINC000395886481 387502079 /nfs/dbraw/zinc/50/20/79/387502079.db2.gz JHCUCXOCNGFXKJ-NEPJUHHUSA-N 0 3 235.375 3.342 20 0 BGADHN C[C@@H](N[C@@H](C)CCC(C)(C)C)c1ccncn1 ZINC000395886484 387501923 /nfs/dbraw/zinc/50/19/23/387501923.db2.gz JHCUCXOCNGFXKJ-NWDGAFQWSA-N 0 3 235.375 3.342 20 0 BGADHN C[C@@H](CCC(C)(C)C)N[C@@H](C)c1ccncn1 ZINC000395886487 387501116 /nfs/dbraw/zinc/50/11/16/387501116.db2.gz JHCUCXOCNGFXKJ-RYUDHWBXSA-N 0 3 235.375 3.342 20 0 BGADHN C[C@H](CCC(C)(C)C)N[C@H](C)c1ccncn1 ZINC000395886489 387501638 /nfs/dbraw/zinc/50/16/38/387501638.db2.gz JHCUCXOCNGFXKJ-VXGBXAGGSA-N 0 3 235.375 3.342 20 0 BGADHN C[C@@H](NCCC1CCCCC1)c1ccncn1 ZINC000395887756 387501217 /nfs/dbraw/zinc/50/12/17/387501217.db2.gz JSGZTIXKVIDZTL-GFCCVEGCSA-N 0 3 233.359 3.098 20 0 BGADHN C[C@H](NCCC1CCCCC1)c1ccncn1 ZINC000395887758 387501149 /nfs/dbraw/zinc/50/11/49/387501149.db2.gz JSGZTIXKVIDZTL-LBPRGKRZSA-N 0 3 233.359 3.098 20 0 BGADHN C[C@@H](N[C@@H](C)c1ccncn1)C1CCCCC1 ZINC000395889770 387501312 /nfs/dbraw/zinc/50/13/12/387501312.db2.gz KNNJYTUEJFRGSS-NEPJUHHUSA-N 0 3 233.359 3.096 20 0 BGADHN C[C@@H](N[C@@H](C)C1CCCCC1)c1ccncn1 ZINC000395889771 262794475 /nfs/dbraw/zinc/79/44/75/262794475.db2.gz KNNJYTUEJFRGSS-NWDGAFQWSA-N 0 3 233.359 3.096 20 0 BGADHN C[C@H](N[C@@H](C)C1CCCCC1)c1ccncn1 ZINC000395889772 387501033 /nfs/dbraw/zinc/50/10/33/387501033.db2.gz KNNJYTUEJFRGSS-RYUDHWBXSA-N 0 3 233.359 3.096 20 0 BGADHN C[C@@H](N[C@H](C)C1CCCCC1)c1ccncn1 ZINC000395889773 262794129 /nfs/dbraw/zinc/79/41/29/262794129.db2.gz KNNJYTUEJFRGSS-VXGBXAGGSA-N 0 3 233.359 3.096 20 0 BGADHN CCC1CCC(N[C@@H](C)c2ccncn2)CC1 ZINC000395911009 323262642 /nfs/dbraw/zinc/26/26/42/323262642.db2.gz OWULPZNAKYGKGV-HIFPTAJRSA-N 0 3 233.359 3.096 20 0 BGADHN CCC1CCC(N[C@H](C)c2ccncn2)CC1 ZINC000395911011 323262703 /nfs/dbraw/zinc/26/27/03/323262703.db2.gz OWULPZNAKYGKGV-PNESKVBLSA-N 0 3 233.359 3.096 20 0 BGADHN C[C@@H](NCCCC1CCCC1)c1ccncn1 ZINC000395914336 323263271 /nfs/dbraw/zinc/26/32/71/323263271.db2.gz QPYBKVLJFRPWIE-GFCCVEGCSA-N 0 3 233.359 3.098 20 0 BGADHN C[C@H](NCCCC1CCCC1)c1ccncn1 ZINC000395914337 323263542 /nfs/dbraw/zinc/26/35/42/323263542.db2.gz QPYBKVLJFRPWIE-LBPRGKRZSA-N 0 3 233.359 3.098 20 0 BGADHN C[C@@H](NCC1(C)CCCCC1)c1ccncn1 ZINC000395923942 323267760 /nfs/dbraw/zinc/26/77/60/323267760.db2.gz VBJRTNRLFVTVAU-GFCCVEGCSA-N 0 3 233.359 3.098 20 0 BGADHN C[C@H](NCC1(C)CCCCC1)c1ccncn1 ZINC000395923944 323267714 /nfs/dbraw/zinc/26/77/14/323267714.db2.gz VBJRTNRLFVTVAU-LBPRGKRZSA-N 0 3 233.359 3.098 20 0 BGADHN CC[C@@H]1CCC[C@@H](N[C@H](C)c2ccncn2)C1 ZINC000395937687 387512155 /nfs/dbraw/zinc/51/21/55/387512155.db2.gz ZVBNBQMJQFXAOE-JHJVBQTASA-N 0 3 233.359 3.096 20 0 BGADHN CC[C@@H]1CCC[C@H](N[C@H](C)c2ccncn2)C1 ZINC000395937699 387512599 /nfs/dbraw/zinc/51/25/99/387512599.db2.gz ZVBNBQMJQFXAOE-UPJWGTAASA-N 0 3 233.359 3.096 20 0 BGADHN CC[C@@H]1CCC[C@H](N[C@@H](C)c2ccncn2)C1 ZINC000395937709 387512784 /nfs/dbraw/zinc/51/27/84/387512784.db2.gz ZVBNBQMJQFXAOE-XQQFMLRXSA-N 0 3 233.359 3.096 20 0 BGADHN CC[C@@H]1CCC[C@@H](N[C@@H](C)c2ccncn2)C1 ZINC000395937722 387513731 /nfs/dbraw/zinc/51/37/31/387513731.db2.gz ZVBNBQMJQFXAOE-YNEHKIRRSA-N 0 3 233.359 3.096 20 0 BGADHN CC(C)C(CN[C@H](C)c1ccncn1)C(C)C ZINC000395964827 262795132 /nfs/dbraw/zinc/79/51/32/262795132.db2.gz GVYDXENMXVUJOC-GFCCVEGCSA-N 0 3 235.375 3.055 20 0 BGADHN CC(C)C(CN[C@@H](C)c1ccncn1)C(C)C ZINC000395964831 262795147 /nfs/dbraw/zinc/79/51/47/262795147.db2.gz GVYDXENMXVUJOC-LBPRGKRZSA-N 0 3 235.375 3.055 20 0 BGADHN CCCC[C@@H](CC)CN[C@H](C)c1ccncn1 ZINC000396029332 323283732 /nfs/dbraw/zinc/28/37/32/323283732.db2.gz MOVYKODURHGBFV-CHWSQXEVSA-N 0 3 235.375 3.344 20 0 BGADHN CCCC[C@H](CC)CN[C@H](C)c1ccncn1 ZINC000396029335 323283509 /nfs/dbraw/zinc/28/35/09/323283509.db2.gz MOVYKODURHGBFV-OLZOCXBDSA-N 0 3 235.375 3.344 20 0 BGADHN CCCC[C@@H](CC)CN[C@@H](C)c1ccncn1 ZINC000396029339 323283791 /nfs/dbraw/zinc/28/37/91/323283791.db2.gz MOVYKODURHGBFV-QWHCGFSZSA-N 0 3 235.375 3.344 20 0 BGADHN CCCC[C@H](CC)CN[C@@H](C)c1ccncn1 ZINC000396029343 323283765 /nfs/dbraw/zinc/28/37/65/323283765.db2.gz MOVYKODURHGBFV-STQMWFEESA-N 0 3 235.375 3.344 20 0 BGADHN CC(C)CCC[C@@H](C)N[C@H](C)c1ccncn1 ZINC000396041884 387523041 /nfs/dbraw/zinc/52/30/41/387523041.db2.gz RBVZCLBSOCEXAO-CHWSQXEVSA-N 0 3 235.375 3.342 20 0 BGADHN CC(C)CCC[C@@H](C)N[C@@H](C)c1ccncn1 ZINC000396041885 387524139 /nfs/dbraw/zinc/52/41/39/387524139.db2.gz RBVZCLBSOCEXAO-OLZOCXBDSA-N 0 3 235.375 3.342 20 0 BGADHN CC(C)CCC[C@H](C)N[C@H](C)c1ccncn1 ZINC000396041886 387522889 /nfs/dbraw/zinc/52/28/89/387522889.db2.gz RBVZCLBSOCEXAO-QWHCGFSZSA-N 0 3 235.375 3.342 20 0 BGADHN CC(C)CCC[C@H](C)N[C@@H](C)c1ccncn1 ZINC000396041887 387524300 /nfs/dbraw/zinc/52/43/00/387524300.db2.gz RBVZCLBSOCEXAO-STQMWFEESA-N 0 3 235.375 3.342 20 0 BGADHN CCCC[C@@H](CCC)N[C@H](C)c1ccncn1 ZINC000396042505 387524587 /nfs/dbraw/zinc/52/45/87/387524587.db2.gz RLMMUJKWOPMCHV-CHWSQXEVSA-N 0 3 235.375 3.486 20 0 BGADHN CCCC[C@H](CCC)N[C@H](C)c1ccncn1 ZINC000396042506 387523795 /nfs/dbraw/zinc/52/37/95/387523795.db2.gz RLMMUJKWOPMCHV-OLZOCXBDSA-N 0 3 235.375 3.486 20 0 BGADHN CCCC[C@@H](CCC)N[C@@H](C)c1ccncn1 ZINC000396042507 387524478 /nfs/dbraw/zinc/52/44/78/387524478.db2.gz RLMMUJKWOPMCHV-QWHCGFSZSA-N 0 3 235.375 3.486 20 0 BGADHN CCCC[C@H](CCC)N[C@@H](C)c1ccncn1 ZINC000396042508 387524598 /nfs/dbraw/zinc/52/45/98/387524598.db2.gz RLMMUJKWOPMCHV-STQMWFEESA-N 0 3 235.375 3.486 20 0 BGADHN C[C@@H](NCC(C)(C)C(C)(C)C)c1ccncn1 ZINC000396107475 387540967 /nfs/dbraw/zinc/54/09/67/387540967.db2.gz URKRLWRKRPAGMA-LLVKDONJSA-N 0 3 235.375 3.200 20 0 BGADHN C[C@H](NCC(C)(C)C(C)(C)C)c1ccncn1 ZINC000396107485 387540363 /nfs/dbraw/zinc/54/03/63/387540363.db2.gz URKRLWRKRPAGMA-NSHDSACASA-N 0 3 235.375 3.200 20 0 BGADHN CCC1CCC(CN[C@@H](C)c2ccncn2)CC1 ZINC000396108418 387541452 /nfs/dbraw/zinc/54/14/52/387541452.db2.gz UYSUXDRCVXMBIS-HSBZDZAISA-N 0 3 247.386 3.344 20 0 BGADHN CCC1CCC(CN[C@H](C)c2ccncn2)CC1 ZINC000396108427 387541460 /nfs/dbraw/zinc/54/14/60/387541460.db2.gz UYSUXDRCVXMBIS-IYXRBSQSSA-N 0 3 247.386 3.344 20 0 BGADHN C[C@H](NCC[C@H]1CCC[C@@H](C)C1)c1ccncn1 ZINC000396122620 386677708 /nfs/dbraw/zinc/67/77/08/386677708.db2.gz ZTUJIRKSYLHICO-HZSPNIEDSA-N 0 3 247.386 3.344 20 0 BGADHN C[C@@H](NCC[C@@H]1CCC[C@@H](C)C1)c1ccncn1 ZINC000396122622 386677112 /nfs/dbraw/zinc/67/71/12/386677112.db2.gz ZTUJIRKSYLHICO-MCIONIFRSA-N 0 3 247.386 3.344 20 0 BGADHN C[C@@H](NCC[C@H]1CCC[C@@H](C)C1)c1ccncn1 ZINC000396122624 386679219 /nfs/dbraw/zinc/67/92/19/386679219.db2.gz ZTUJIRKSYLHICO-MGPQQGTHSA-N 0 3 247.386 3.344 20 0 BGADHN C[C@H](NCC[C@@H]1CCC[C@@H](C)C1)c1ccncn1 ZINC000396122626 386679022 /nfs/dbraw/zinc/67/90/22/386679022.db2.gz ZTUJIRKSYLHICO-RDBSUJKOSA-N 0 3 247.386 3.344 20 0 BGADHN CC(C)OCC(C)(C)NC/C=C/c1ccccc1 ZINC000396321399 386721077 /nfs/dbraw/zinc/72/10/77/386721077.db2.gz KXOPGZQKYLDJHA-DHZHZOJOSA-N 0 3 247.382 3.493 20 0 BGADHN CC(C)OCC(C)(C)NC/C=C\c1ccccc1 ZINC000396321401 386722245 /nfs/dbraw/zinc/72/22/45/386722245.db2.gz KXOPGZQKYLDJHA-FLIBITNWSA-N 0 3 247.382 3.493 20 0 BGADHN CC(C)OCC(C)(C)NCc1cccs1 ZINC000396373659 386731220 /nfs/dbraw/zinc/73/12/20/386731220.db2.gz SBDWIIKFRXVQPR-UHFFFAOYSA-N 0 3 227.373 3.041 20 0 BGADHN CC(C)OCC(C)(C)NCc1ccsc1 ZINC000396389577 262802950 /nfs/dbraw/zinc/80/29/50/262802950.db2.gz YNJPZYSXOPQXKO-UHFFFAOYSA-N 0 3 227.373 3.041 20 0 BGADHN CC(C)OCC(C)(C)NCc1ccccc1F ZINC000396438679 386761160 /nfs/dbraw/zinc/76/11/60/386761160.db2.gz GSLUKQJMWDUSGE-UHFFFAOYSA-N 0 3 239.334 3.119 20 0 BGADHN Cc1cc(CN[C@H]2COC(C)(C)C2)c(C)s1 ZINC000396457213 487934517 /nfs/dbraw/zinc/93/45/17/487934517.db2.gz BKCUHGLYINZOGW-GFCCVEGCSA-N 0 3 239.384 3.022 20 0 BGADHN Cc1cc(CN[C@@H]2COC(C)(C)C2)c(C)s1 ZINC000396457216 487934093 /nfs/dbraw/zinc/93/40/93/487934093.db2.gz BKCUHGLYINZOGW-LBPRGKRZSA-N 0 3 239.384 3.022 20 0 BGADHN CCc1ccc(CNC(C)(C)COC(C)C)o1 ZINC000396492254 386766680 /nfs/dbraw/zinc/76/66/80/386766680.db2.gz RGAXTJKLCIZAFO-UHFFFAOYSA-N 0 3 239.359 3.135 20 0 BGADHN Cc1sccc1CNC(C)(C)COC(C)C ZINC000396493229 386765967 /nfs/dbraw/zinc/76/59/67/386765967.db2.gz RMAYVQAWGIRFKM-UHFFFAOYSA-N 0 3 241.400 3.350 20 0 BGADHN CC(C)OCC(C)(C)NCc1cccc(F)c1 ZINC000396497611 386765999 /nfs/dbraw/zinc/76/59/99/386765999.db2.gz UJSQIGJODCLLDC-UHFFFAOYSA-N 0 3 239.334 3.119 20 0 BGADHN Cc1cc(CNC(C)(C)COC(C)C)cs1 ZINC000396498437 386767268 /nfs/dbraw/zinc/76/72/68/386767268.db2.gz UTIMIOXBGQCBOC-UHFFFAOYSA-N 0 3 241.400 3.350 20 0 BGADHN CC1(C)C[C@@H](NCc2sccc2Cl)CO1 ZINC000396503650 487936769 /nfs/dbraw/zinc/93/67/69/487936769.db2.gz LAKYJKMWPNENKZ-MRVPVSSYSA-N 0 3 245.775 3.059 20 0 BGADHN CC1(C)C[C@H](NCc2sccc2Cl)CO1 ZINC000396503651 487937064 /nfs/dbraw/zinc/93/70/64/487937064.db2.gz LAKYJKMWPNENKZ-QMMMGPOBSA-N 0 3 245.775 3.059 20 0 BGADHN CC(C)OCC(C)(C)NCc1ccc(F)cc1 ZINC000396507803 262805101 /nfs/dbraw/zinc/80/51/01/262805101.db2.gz YVPKUWLXSOQWQO-UHFFFAOYSA-N 0 3 239.334 3.119 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2COC(C)(C)C2)cs1 ZINC000396511361 487938337 /nfs/dbraw/zinc/93/83/37/487938337.db2.gz PTAHVXNYMAVEBB-CMPLNLGQSA-N 0 3 239.384 3.275 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2COC(C)(C)C2)cs1 ZINC000396511364 487938445 /nfs/dbraw/zinc/93/84/45/487938445.db2.gz PTAHVXNYMAVEBB-JQWIXIFHSA-N 0 3 239.384 3.275 20 0 BGADHN Cc1cc([C@@H](C)N[C@@H]2COC(C)(C)C2)cs1 ZINC000396511368 487938247 /nfs/dbraw/zinc/93/82/47/487938247.db2.gz PTAHVXNYMAVEBB-PWSUYJOCSA-N 0 3 239.384 3.275 20 0 BGADHN Cc1cc([C@@H](C)N[C@H]2COC(C)(C)C2)cs1 ZINC000396511372 487938515 /nfs/dbraw/zinc/93/85/15/487938515.db2.gz PTAHVXNYMAVEBB-ZYHUDNBSSA-N 0 3 239.384 3.275 20 0 BGADHN CC1(C)C[C@H](NCc2ccc(C3CC3)cc2)CO1 ZINC000396514331 386769086 /nfs/dbraw/zinc/76/90/86/386769086.db2.gz GHKOSKJRYBCWLM-HNNXBMFYSA-N 0 3 245.366 3.221 20 0 BGADHN CC1(C)C[C@@H](NCc2ccc(C3CC3)cc2)CO1 ZINC000396514334 262805516 /nfs/dbraw/zinc/80/55/16/262805516.db2.gz GHKOSKJRYBCWLM-OAHLLOKOSA-N 0 3 245.366 3.221 20 0 BGADHN CC[C@H](N[C@H]1COC(C)(C)C1)c1ccsc1 ZINC000396515738 487937921 /nfs/dbraw/zinc/93/79/21/487937921.db2.gz SDXVYCRGWIOIAB-NEPJUHHUSA-N 0 3 239.384 3.356 20 0 BGADHN CC[C@@H](N[C@@H]1COC(C)(C)C1)c1ccsc1 ZINC000396515739 487938315 /nfs/dbraw/zinc/93/83/15/487938315.db2.gz SDXVYCRGWIOIAB-NWDGAFQWSA-N 0 3 239.384 3.356 20 0 BGADHN CC[C@H](N[C@@H]1COC(C)(C)C1)c1ccsc1 ZINC000396515740 487938224 /nfs/dbraw/zinc/93/82/24/487938224.db2.gz SDXVYCRGWIOIAB-RYUDHWBXSA-N 0 3 239.384 3.356 20 0 BGADHN CC[C@@H](N[C@H]1COC(C)(C)C1)c1ccsc1 ZINC000396515741 487938302 /nfs/dbraw/zinc/93/83/02/487938302.db2.gz SDXVYCRGWIOIAB-VXGBXAGGSA-N 0 3 239.384 3.356 20 0 BGADHN Cc1cccc([C@H](C)N[C@H]2COC(C)(C)C2)c1 ZINC000396527585 386769589 /nfs/dbraw/zinc/76/95/89/386769589.db2.gz HMPIXJPHTCGOJR-GXTWGEPZSA-N 0 3 233.355 3.213 20 0 BGADHN Cc1cccc([C@H](C)N[C@@H]2COC(C)(C)C2)c1 ZINC000396527587 386768788 /nfs/dbraw/zinc/76/87/88/386768788.db2.gz HMPIXJPHTCGOJR-JSGCOSHPSA-N 0 3 233.355 3.213 20 0 BGADHN Cc1cccc([C@@H](C)N[C@@H]2COC(C)(C)C2)c1 ZINC000396527589 386769325 /nfs/dbraw/zinc/76/93/25/386769325.db2.gz HMPIXJPHTCGOJR-OCCSQVGLSA-N 0 3 233.355 3.213 20 0 BGADHN Cc1cccc([C@@H](C)N[C@H]2COC(C)(C)C2)c1 ZINC000396527593 386769583 /nfs/dbraw/zinc/76/95/83/386769583.db2.gz HMPIXJPHTCGOJR-TZMCWYRMSA-N 0 3 233.355 3.213 20 0 BGADHN CCC(CC)(CC)CNCc1ccc(C)nn1 ZINC000396538885 386772032 /nfs/dbraw/zinc/77/20/32/386772032.db2.gz KGSVKQVULJHGNM-UHFFFAOYSA-N 0 3 235.375 3.091 20 0 BGADHN CC1(C)C[C@@H](NCc2coc3ccccc23)CO1 ZINC000396540532 386772741 /nfs/dbraw/zinc/77/27/41/386772741.db2.gz RFPIRFZSPXGYNK-GFCCVEGCSA-N 0 3 245.322 3.090 20 0 BGADHN CC1(C)C[C@H](NCc2coc3ccccc23)CO1 ZINC000396540534 262805456 /nfs/dbraw/zinc/80/54/56/262805456.db2.gz RFPIRFZSPXGYNK-LBPRGKRZSA-N 0 3 245.322 3.090 20 0 BGADHN CC1(C)C[C@H](NCc2cccc(C3CC3)c2)CO1 ZINC000396545127 487953363 /nfs/dbraw/zinc/95/33/63/487953363.db2.gz UBDNFEJXZATABZ-HNNXBMFYSA-N 0 3 245.366 3.221 20 0 BGADHN CC1(C)C[C@@H](NCc2cccc(C3CC3)c2)CO1 ZINC000396545131 487953379 /nfs/dbraw/zinc/95/33/79/487953379.db2.gz UBDNFEJXZATABZ-OAHLLOKOSA-N 0 3 245.366 3.221 20 0 BGADHN CC1(C)C[C@@H](NCc2cc3ccccc3o2)CO1 ZINC000396551355 357481383 /nfs/dbraw/zinc/48/13/83/357481383.db2.gz WPHQRAVFIIMHOK-GFCCVEGCSA-N 0 3 245.322 3.090 20 0 BGADHN CC1(C)C[C@H](NCc2cc3ccccc3o2)CO1 ZINC000396551357 357481563 /nfs/dbraw/zinc/48/15/63/357481563.db2.gz WPHQRAVFIIMHOK-LBPRGKRZSA-N 0 3 245.322 3.090 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CN[C@@H]2COC(C)(C)C2)o1 ZINC000396554749 357481017 /nfs/dbraw/zinc/48/10/17/357481017.db2.gz TZKAMJMIVOERED-MDZLAQPJSA-N 0 3 249.354 3.060 20 0 BGADHN C[C@@H]1C[C@H]1c1ccc(CN[C@H]2COC(C)(C)C2)o1 ZINC000396554751 357481135 /nfs/dbraw/zinc/48/11/35/357481135.db2.gz TZKAMJMIVOERED-NQBHXWOUSA-N 0 3 249.354 3.060 20 0 BGADHN C[C@@H]1C[C@H]1c1ccc(CN[C@@H]2COC(C)(C)C2)o1 ZINC000396554755 357480817 /nfs/dbraw/zinc/48/08/17/357480817.db2.gz TZKAMJMIVOERED-NTZNESFSSA-N 0 3 249.354 3.060 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CN[C@H]2COC(C)(C)C2)o1 ZINC000396554757 357481006 /nfs/dbraw/zinc/48/10/06/357481006.db2.gz TZKAMJMIVOERED-WZRBSPASSA-N 0 3 249.354 3.060 20 0 BGADHN CC1(C)C[C@H](NCc2ccccc2C2CC2)CO1 ZINC000396556210 487974592 /nfs/dbraw/zinc/97/45/92/487974592.db2.gz YMBGUGGKYLYKAN-AWEZNQCLSA-N 0 3 245.366 3.221 20 0 BGADHN CC1(C)C[C@@H](NCc2ccccc2C2CC2)CO1 ZINC000396556213 487974894 /nfs/dbraw/zinc/97/48/94/487974894.db2.gz YMBGUGGKYLYKAN-CQSZACIVSA-N 0 3 245.366 3.221 20 0 BGADHN CCCC[C@@H](CC)CNCc1ccc(C)nn1 ZINC000396576551 386780998 /nfs/dbraw/zinc/78/09/98/386780998.db2.gz CTZNWBHUZPCJFL-CYBMUJFWSA-N 0 3 235.375 3.091 20 0 BGADHN CCCC[C@H](CC)CNCc1ccc(C)nn1 ZINC000396576552 386781464 /nfs/dbraw/zinc/78/14/64/386781464.db2.gz CTZNWBHUZPCJFL-ZDUSSCGKSA-N 0 3 235.375 3.091 20 0 BGADHN Cc1ccc(CN[C@H](C)CCC(C)(C)C)nn1 ZINC000396584070 386777359 /nfs/dbraw/zinc/77/73/59/386777359.db2.gz UFFVGRPZHPLPAD-LLVKDONJSA-N 0 3 235.375 3.089 20 0 BGADHN Cc1ccc(CN[C@@H](C)CCC(C)(C)C)nn1 ZINC000396584073 386779473 /nfs/dbraw/zinc/77/94/73/386779473.db2.gz UFFVGRPZHPLPAD-NSHDSACASA-N 0 3 235.375 3.089 20 0 BGADHN Cc1ccc(CNCC2CCC(C)(C)CC2)nn1 ZINC000396648712 323435541 /nfs/dbraw/zinc/43/55/41/323435541.db2.gz KTWHTZCBMANBMV-UHFFFAOYSA-N 0 3 247.386 3.091 20 0 BGADHN Cc1ccc(CNC2CCC(C(C)C)CC2)nn1 ZINC000396662383 262817312 /nfs/dbraw/zinc/81/73/12/262817312.db2.gz OHAICMNFZKLPLO-UHFFFAOYSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1ccc(CNC(CC(C)C)CC(C)C)nn1 ZINC000396697032 387483919 /nfs/dbraw/zinc/48/39/19/387483919.db2.gz JVMLBRIHXBQJMU-UHFFFAOYSA-N 0 3 249.402 3.335 20 0 BGADHN Cc1ccc(CN[C@H]2CCC[C@H](C(C)C)C2)nn1 ZINC000396715176 387487738 /nfs/dbraw/zinc/48/77/38/387487738.db2.gz RAQPDGYWAAZBDU-KBPBESRZSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1ccc(CN[C@H]2CCC[C@@H](C(C)C)C2)nn1 ZINC000396715180 387487894 /nfs/dbraw/zinc/48/78/94/387487894.db2.gz RAQPDGYWAAZBDU-KGLIPLIRSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1ccc(CN[C@@H]2CCC[C@H](C(C)C)C2)nn1 ZINC000396715182 387487817 /nfs/dbraw/zinc/48/78/17/387487817.db2.gz RAQPDGYWAAZBDU-UONOGXRCSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1ccc(CN[C@@H]2CCC[C@@H](C(C)C)C2)nn1 ZINC000396715184 387487559 /nfs/dbraw/zinc/48/75/59/387487559.db2.gz RAQPDGYWAAZBDU-ZIAGYGMSSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1ccc(CNCC2(C)CCCCCC2)nn1 ZINC000396721711 490220614 /nfs/dbraw/zinc/22/06/14/490220614.db2.gz QYPMBTHMZLAHMV-UHFFFAOYSA-N 0 3 247.386 3.235 20 0 BGADHN CCCC1CCC(NCc2ccc(C)nn2)CC1 ZINC000396725276 411240900 /nfs/dbraw/zinc/24/09/00/411240900.db2.gz VPWZABJWZWGMFS-UHFFFAOYSA-N 0 3 247.386 3.234 20 0 BGADHN Cc1ccc(CNCCCC2CCCCC2)nn1 ZINC000396733514 398167041 /nfs/dbraw/zinc/16/70/41/398167041.db2.gz YRCGMZZFVKSOKC-UHFFFAOYSA-N 0 3 247.386 3.235 20 0 BGADHN C[C@H](N[C@@H]1COC(C)(C)C1)c1ccc(F)cc1 ZINC000396839567 488035606 /nfs/dbraw/zinc/03/56/06/488035606.db2.gz GVKWVPZLFVSLGC-GWCFXTLKSA-N 0 3 237.318 3.044 20 0 BGADHN C[C@H](N[C@H]1COC(C)(C)C1)c1ccc(F)cc1 ZINC000396839568 488035633 /nfs/dbraw/zinc/03/56/33/488035633.db2.gz GVKWVPZLFVSLGC-GXFFZTMASA-N 0 3 237.318 3.044 20 0 BGADHN C[C@@H](N[C@@H]1COC(C)(C)C1)c1ccc(F)cc1 ZINC000396839570 488035669 /nfs/dbraw/zinc/03/56/69/488035669.db2.gz GVKWVPZLFVSLGC-MFKMUULPSA-N 0 3 237.318 3.044 20 0 BGADHN C[C@@H](N[C@H]1COC(C)(C)C1)c1ccc(F)cc1 ZINC000396839571 488035682 /nfs/dbraw/zinc/03/56/82/488035682.db2.gz GVKWVPZLFVSLGC-ZWNOBZJWSA-N 0 3 237.318 3.044 20 0 BGADHN CCc1ccc([C@@H](C)N[C@@H]2COC(C)(C)C2)cc1 ZINC000396847718 387503445 /nfs/dbraw/zinc/50/34/45/387503445.db2.gz HXTBWISCFIQKPW-DOMZBBRYSA-N 0 3 247.382 3.467 20 0 BGADHN CCc1ccc([C@@H](C)N[C@H]2COC(C)(C)C2)cc1 ZINC000396847719 387502504 /nfs/dbraw/zinc/50/25/04/387502504.db2.gz HXTBWISCFIQKPW-IUODEOHRSA-N 0 3 247.382 3.467 20 0 BGADHN CCc1ccc([C@H](C)N[C@H]2COC(C)(C)C2)cc1 ZINC000396847720 387504097 /nfs/dbraw/zinc/50/40/97/387504097.db2.gz HXTBWISCFIQKPW-SWLSCSKDSA-N 0 3 247.382 3.467 20 0 BGADHN CCc1ccc([C@H](C)N[C@@H]2COC(C)(C)C2)cc1 ZINC000396847721 387503557 /nfs/dbraw/zinc/50/35/57/387503557.db2.gz HXTBWISCFIQKPW-WFASDCNBSA-N 0 3 247.382 3.467 20 0 BGADHN C[C@H](N[C@@H]1COC(C)(C)C1)c1cccc(F)c1 ZINC000396855396 488040447 /nfs/dbraw/zinc/04/04/47/488040447.db2.gz RLVNAGJUYJKHFN-GWCFXTLKSA-N 0 3 237.318 3.044 20 0 BGADHN C[C@H](N[C@H]1COC(C)(C)C1)c1cccc(F)c1 ZINC000396855398 488040372 /nfs/dbraw/zinc/04/03/72/488040372.db2.gz RLVNAGJUYJKHFN-GXFFZTMASA-N 0 3 237.318 3.044 20 0 BGADHN C[C@@H](N[C@@H]1COC(C)(C)C1)c1cccc(F)c1 ZINC000396855400 488040867 /nfs/dbraw/zinc/04/08/67/488040867.db2.gz RLVNAGJUYJKHFN-MFKMUULPSA-N 0 3 237.318 3.044 20 0 BGADHN C[C@@H](N[C@H]1COC(C)(C)C1)c1cccc(F)c1 ZINC000396855402 488040731 /nfs/dbraw/zinc/04/07/31/488040731.db2.gz RLVNAGJUYJKHFN-ZWNOBZJWSA-N 0 3 237.318 3.044 20 0 BGADHN C[C@@H](N[C@H]1COC(C)(C)C1)c1ccccc1F ZINC000396857241 488041089 /nfs/dbraw/zinc/04/10/89/488041089.db2.gz SYOFHFSQTKUWBR-GHMZBOCLSA-N 0 3 237.318 3.044 20 0 BGADHN C[C@@H](N[C@@H]1COC(C)(C)C1)c1ccccc1F ZINC000396857243 488040986 /nfs/dbraw/zinc/04/09/86/488040986.db2.gz SYOFHFSQTKUWBR-MNOVXSKESA-N 0 3 237.318 3.044 20 0 BGADHN C[C@H](N[C@@H]1COC(C)(C)C1)c1ccccc1F ZINC000396857244 488041069 /nfs/dbraw/zinc/04/10/69/488041069.db2.gz SYOFHFSQTKUWBR-QWRGUYRKSA-N 0 3 237.318 3.044 20 0 BGADHN C[C@H](N[C@H]1COC(C)(C)C1)c1ccccc1F ZINC000396857245 488040766 /nfs/dbraw/zinc/04/07/66/488040766.db2.gz SYOFHFSQTKUWBR-WDEREUQCSA-N 0 3 237.318 3.044 20 0 BGADHN CC(C)c1ccc(CN[C@@H]2COC(C)(C)C2)cc1 ZINC000396862540 387500593 /nfs/dbraw/zinc/50/05/93/387500593.db2.gz WQOSKLAKKFVUKV-HNNXBMFYSA-N 0 3 247.382 3.467 20 0 BGADHN CC(C)c1ccc(CN[C@H]2COC(C)(C)C2)cc1 ZINC000396862543 387500439 /nfs/dbraw/zinc/50/04/39/387500439.db2.gz WQOSKLAKKFVUKV-OAHLLOKOSA-N 0 3 247.382 3.467 20 0 BGADHN Cc1ccc(CNC[C@H](C)CC(F)(F)F)o1 ZINC000396898216 387509673 /nfs/dbraw/zinc/50/96/73/387509673.db2.gz ARRQUDZEGCNSEJ-MRVPVSSYSA-N 0 3 235.249 3.266 20 0 BGADHN Cc1ccc(CNC[C@@H](C)CC(F)(F)F)o1 ZINC000396898217 387508870 /nfs/dbraw/zinc/50/88/70/387508870.db2.gz ARRQUDZEGCNSEJ-QMMMGPOBSA-N 0 3 235.249 3.266 20 0 BGADHN Cc1ccoc1CNC[C@H](C)CC(F)(F)F ZINC000396910179 387512795 /nfs/dbraw/zinc/51/27/95/387512795.db2.gz NSDYQWPWXVGFJJ-MRVPVSSYSA-N 0 3 235.249 3.266 20 0 BGADHN Cc1ccoc1CNC[C@@H](C)CC(F)(F)F ZINC000396910180 387513388 /nfs/dbraw/zinc/51/33/88/387513388.db2.gz NSDYQWPWXVGFJJ-QMMMGPOBSA-N 0 3 235.249 3.266 20 0 BGADHN C[C@H](c1cccs1)N(C)CCC1(O)CCC1 ZINC000396921999 387516227 /nfs/dbraw/zinc/51/62/27/387516227.db2.gz RHMZDFZACISXBM-LLVKDONJSA-N 0 3 239.384 3.046 20 0 BGADHN C[C@@H](c1cccs1)N(C)CCC1(O)CCC1 ZINC000396922002 387516010 /nfs/dbraw/zinc/51/60/10/387516010.db2.gz RHMZDFZACISXBM-NSHDSACASA-N 0 3 239.384 3.046 20 0 BGADHN Cc1sccc1CNCc1cnc(C)cc1C ZINC000396984207 262830184 /nfs/dbraw/zinc/83/01/84/262830184.db2.gz QAOPKBCUEIOODR-UHFFFAOYSA-N 0 3 246.379 3.358 20 0 BGADHN Cc1cc(CNCc2cnc(C)cc2C)cs1 ZINC000396984950 387529602 /nfs/dbraw/zinc/52/96/02/387529602.db2.gz QQPVIVYSPJLDKI-UHFFFAOYSA-N 0 3 246.379 3.358 20 0 BGADHN Cc1ccsc1CNCc1cnc(C)cc1C ZINC000396988163 262830109 /nfs/dbraw/zinc/83/01/09/262830109.db2.gz SOTGJOKAAFQDQH-UHFFFAOYSA-N 0 3 246.379 3.358 20 0 BGADHN Cc1ccc(CNCc2cnc(C)cc2C)s1 ZINC000396991491 398168962 /nfs/dbraw/zinc/16/89/62/398168962.db2.gz VAIFDHRFDGYHIC-UHFFFAOYSA-N 0 3 246.379 3.358 20 0 BGADHN Cc1cc(C)c(CNCc2ccc(F)cc2)cn1 ZINC000397007208 487536543 /nfs/dbraw/zinc/53/65/43/487536543.db2.gz HBEUETQXGKOSEG-UHFFFAOYSA-N 0 3 244.313 3.127 20 0 BGADHN Cc1cc(C)c(CNCc2ccccc2C)cn1 ZINC000397029235 387533401 /nfs/dbraw/zinc/53/34/01/387533401.db2.gz OFGOPROLAIQRTK-UHFFFAOYSA-N 0 3 240.350 3.297 20 0 BGADHN Cc1ccc(CNCc2cnc(C)cc2C)cc1 ZINC000397055966 387535890 /nfs/dbraw/zinc/53/58/90/387535890.db2.gz TYAOTDPJLIPLGH-UHFFFAOYSA-N 0 3 240.350 3.297 20 0 BGADHN Cc1cccc(CNCc2cnc(C)cc2C)c1 ZINC000397062034 387536622 /nfs/dbraw/zinc/53/66/22/387536622.db2.gz YBXJAHNTVMWZLG-UHFFFAOYSA-N 0 3 240.350 3.297 20 0 BGADHN Cc1occc1CNCCSCC(C)C ZINC000397479268 323017543 /nfs/dbraw/zinc/01/75/43/323017543.db2.gz KTLYUDKGOHSHNG-UHFFFAOYSA-N 0 3 227.373 3.067 20 0 BGADHN Cc1cc(C)c(CNCc2cccs2)cn1 ZINC000397479406 323017602 /nfs/dbraw/zinc/01/76/02/323017602.db2.gz CSBQFYQPHJMJOT-UHFFFAOYSA-N 0 3 232.352 3.050 20 0 BGADHN CCc1nc(C)c(CN[C@@H](C)[C@H]2CC2(C)C)o1 ZINC000397581534 347148859 /nfs/dbraw/zinc/14/88/59/347148859.db2.gz AWWOBRSMVSAEEO-GXSJLCMTSA-N 0 3 236.359 3.070 20 0 BGADHN CCc1nc(C)c(CN[C@H](C)[C@@H]2CC2(C)C)o1 ZINC000397581537 347149084 /nfs/dbraw/zinc/14/90/84/347149084.db2.gz AWWOBRSMVSAEEO-KOLCDFICSA-N 0 3 236.359 3.070 20 0 BGADHN CCc1nc(C)c(CN[C@H](C)[C@H]2CC2(C)C)o1 ZINC000397581539 347149238 /nfs/dbraw/zinc/14/92/38/347149238.db2.gz AWWOBRSMVSAEEO-MWLCHTKSSA-N 0 3 236.359 3.070 20 0 BGADHN CCc1nc(C)c(CN[C@@H](C)[C@@H]2CC2(C)C)o1 ZINC000397581541 347149425 /nfs/dbraw/zinc/14/94/25/347149425.db2.gz AWWOBRSMVSAEEO-ONGXEEELSA-N 0 3 236.359 3.070 20 0 BGADHN CCC[C@@H](NCc1cc(C)no1)[C@H]1CC1(C)C ZINC000397601079 388483353 /nfs/dbraw/zinc/48/33/53/388483353.db2.gz FXIBWKJSTDCTGJ-CHWSQXEVSA-N 0 3 236.359 3.287 20 0 BGADHN CCC[C@H](NCc1cc(C)no1)[C@H]1CC1(C)C ZINC000397601083 262927039 /nfs/dbraw/zinc/92/70/39/262927039.db2.gz FXIBWKJSTDCTGJ-OLZOCXBDSA-N 0 3 236.359 3.287 20 0 BGADHN CCC[C@@H](NCc1cc(C)no1)[C@@H]1CC1(C)C ZINC000397601084 388482408 /nfs/dbraw/zinc/48/24/08/388482408.db2.gz FXIBWKJSTDCTGJ-QWHCGFSZSA-N 0 3 236.359 3.287 20 0 BGADHN CCC[C@H](NCc1cc(C)no1)[C@@H]1CC1(C)C ZINC000397601085 388483064 /nfs/dbraw/zinc/48/30/64/388483064.db2.gz FXIBWKJSTDCTGJ-STQMWFEESA-N 0 3 236.359 3.287 20 0 BGADHN COc1ccc([C@@H](C)N[C@@H]2C[C@H]3C[C@H]3C2)c(F)c1 ZINC000397615943 385052420 /nfs/dbraw/zinc/05/24/20/385052420.db2.gz DZOVBDMFPNVXHU-WISYIIOYSA-N 0 3 249.329 3.283 20 0 BGADHN COc1ccc([C@H](C)N[C@@H]2C[C@H]3C[C@H]3C2)c(F)c1 ZINC000397615947 385055956 /nfs/dbraw/zinc/05/59/56/385055956.db2.gz DZOVBDMFPNVXHU-YFKTTZPYSA-N 0 3 249.329 3.283 20 0 BGADHN CC[C@@H](NCC1=CCOCC1)c1ccsc1 ZINC000397633305 323084633 /nfs/dbraw/zinc/08/46/33/323084633.db2.gz NTZWYQDBGHLQPZ-CYBMUJFWSA-N 0 3 237.368 3.136 20 0 BGADHN CC[C@H](NCC1=CCOCC1)c1ccsc1 ZINC000397633306 323084637 /nfs/dbraw/zinc/08/46/37/323084637.db2.gz NTZWYQDBGHLQPZ-ZDUSSCGKSA-N 0 3 237.368 3.136 20 0 BGADHN COc1cccc(CNCCC=C(C)C)c1F ZINC000397634715 488127631 /nfs/dbraw/zinc/12/76/31/488127631.db2.gz OQFNBVJTOBBCRI-UHFFFAOYSA-N 0 3 237.318 3.280 20 0 BGADHN Cc1cc([C@@H](C)NCC2=CCOCC2)cs1 ZINC000397636316 323243297 /nfs/dbraw/zinc/24/32/97/323243297.db2.gz PMVMUPQLGADBAZ-LLVKDONJSA-N 0 3 237.368 3.054 20 0 BGADHN Cc1cc([C@H](C)NCC2=CCOCC2)cs1 ZINC000397636318 323243357 /nfs/dbraw/zinc/24/33/57/323243357.db2.gz PMVMUPQLGADBAZ-NSHDSACASA-N 0 3 237.368 3.054 20 0 BGADHN Clc1ccccc1CN[C@@H]1C[C@H]2C[C@H]2C1 ZINC000397640290 387522899 /nfs/dbraw/zinc/52/28/99/387522899.db2.gz RHUYAWHFKMLDNN-ZSBIGDGJSA-N 0 3 221.731 3.228 20 0 BGADHN CCC[C@@H](NCc1cc(C)on1)[C@H]1CC1(C)C ZINC000397642318 488126913 /nfs/dbraw/zinc/12/69/13/488126913.db2.gz RGDFYLMBHTXJDA-CHWSQXEVSA-N 0 3 236.359 3.287 20 0 BGADHN CCC[C@H](NCc1cc(C)on1)[C@H]1CC1(C)C ZINC000397642320 488126412 /nfs/dbraw/zinc/12/64/12/488126412.db2.gz RGDFYLMBHTXJDA-OLZOCXBDSA-N 0 3 236.359 3.287 20 0 BGADHN CCC[C@@H](NCc1cc(C)on1)[C@@H]1CC1(C)C ZINC000397642322 488126548 /nfs/dbraw/zinc/12/65/48/488126548.db2.gz RGDFYLMBHTXJDA-QWHCGFSZSA-N 0 3 236.359 3.287 20 0 BGADHN CCC[C@H](NCc1cc(C)on1)[C@@H]1CC1(C)C ZINC000397642324 488126830 /nfs/dbraw/zinc/12/68/30/488126830.db2.gz RGDFYLMBHTXJDA-STQMWFEESA-N 0 3 236.359 3.287 20 0 BGADHN COc1ccc(CNCCC=C(C)C)c(F)c1 ZINC000397645855 356549923 /nfs/dbraw/zinc/54/99/23/356549923.db2.gz UQAHWWHVCBPBCE-UHFFFAOYSA-N 0 3 237.318 3.280 20 0 BGADHN CC(C)=CCCNCc1nn(C)c2ccccc12 ZINC000397649038 583104459 /nfs/dbraw/zinc/10/44/59/583104459.db2.gz VWIIADKAOCITAP-UHFFFAOYSA-N 0 3 243.354 3.019 20 0 BGADHN CC[C@H](NCc1oc(C)nc1C)[C@H]1CC1(C)C ZINC000397654858 410931068 /nfs/dbraw/zinc/93/10/68/410931068.db2.gz BLPLCRUSOPTGFP-NEPJUHHUSA-N 0 3 236.359 3.206 20 0 BGADHN CC[C@@H](NCc1oc(C)nc1C)[C@@H]1CC1(C)C ZINC000397654859 410931092 /nfs/dbraw/zinc/93/10/92/410931092.db2.gz BLPLCRUSOPTGFP-NWDGAFQWSA-N 0 3 236.359 3.206 20 0 BGADHN CC[C@H](NCc1oc(C)nc1C)[C@@H]1CC1(C)C ZINC000397654860 410930812 /nfs/dbraw/zinc/93/08/12/410930812.db2.gz BLPLCRUSOPTGFP-RYUDHWBXSA-N 0 3 236.359 3.206 20 0 BGADHN CC[C@@H](NCc1oc(C)nc1C)[C@H]1CC1(C)C ZINC000397654861 410930947 /nfs/dbraw/zinc/93/09/47/410930947.db2.gz BLPLCRUSOPTGFP-VXGBXAGGSA-N 0 3 236.359 3.206 20 0 BGADHN COc1ccc(C)cc1CNCCC=C(C)C ZINC000397664719 323184296 /nfs/dbraw/zinc/18/42/96/323184296.db2.gz KOGNHDDNUMNZKN-UHFFFAOYSA-N 0 3 233.355 3.450 20 0 BGADHN CC[C@H](NCc1nc(C)c(C)o1)[C@H]1CC1(C)C ZINC000397672507 398121199 /nfs/dbraw/zinc/12/11/99/398121199.db2.gz GAOBAXPRJBKXED-NEPJUHHUSA-N 0 3 236.359 3.206 20 0 BGADHN CC[C@@H](NCc1nc(C)c(C)o1)[C@@H]1CC1(C)C ZINC000397672510 398121390 /nfs/dbraw/zinc/12/13/90/398121390.db2.gz GAOBAXPRJBKXED-NWDGAFQWSA-N 0 3 236.359 3.206 20 0 BGADHN CC[C@H](NCc1nc(C)c(C)o1)[C@@H]1CC1(C)C ZINC000397672513 398121183 /nfs/dbraw/zinc/12/11/83/398121183.db2.gz GAOBAXPRJBKXED-RYUDHWBXSA-N 0 3 236.359 3.206 20 0 BGADHN CC[C@@H](NCc1nc(C)c(C)o1)[C@H]1CC1(C)C ZINC000397672515 398121083 /nfs/dbraw/zinc/12/10/83/398121083.db2.gz GAOBAXPRJBKXED-VXGBXAGGSA-N 0 3 236.359 3.206 20 0 BGADHN COc1ccc(F)cc1CNCCC=C(C)C ZINC000397679345 388489214 /nfs/dbraw/zinc/48/92/14/388489214.db2.gz SHGAOVLTURSDGK-UHFFFAOYSA-N 0 3 237.318 3.280 20 0 BGADHN Cc1cccc(CN[C@@H]2C[C@H]3C[C@H]3C2)c1F ZINC000397681929 388489478 /nfs/dbraw/zinc/48/94/78/388489478.db2.gz UJNBXTSHGDILAY-CLLJXQQHSA-N 0 3 219.303 3.022 20 0 BGADHN Cc1noc(C)c1[C@H](C)N[C@@H](C)[C@@H]1CC1(C)C ZINC000397683840 583105817 /nfs/dbraw/zinc/10/58/17/583105817.db2.gz LAIQAPABEGBJET-AUTRQRHGSA-N 0 3 236.359 3.377 20 0 BGADHN Cc1noc(C)c1[C@H](C)N[C@@H](C)[C@H]1CC1(C)C ZINC000397683841 583105831 /nfs/dbraw/zinc/10/58/31/583105831.db2.gz LAIQAPABEGBJET-HOTUBEGUSA-N 0 3 236.359 3.377 20 0 BGADHN Cc1noc(C)c1[C@H](C)N[C@H](C)[C@@H]1CC1(C)C ZINC000397683844 583106157 /nfs/dbraw/zinc/10/61/57/583106157.db2.gz LAIQAPABEGBJET-PTRXPTGYSA-N 0 3 236.359 3.377 20 0 BGADHN Cc1noc(C)c1[C@H](C)N[C@H](C)[C@H]1CC1(C)C ZINC000397684278 584934621 /nfs/dbraw/zinc/93/46/21/584934621.db2.gz LAIQAPABEGBJET-VDDIYKPWSA-N 0 3 236.359 3.377 20 0 BGADHN C[C@H](N[C@@H]1COc2ccccc21)[C@H]1CC1(C)C ZINC000397691902 388490627 /nfs/dbraw/zinc/49/06/27/388490627.db2.gz OUYVWCYGRSISHT-CYZMBNFOSA-N 0 3 231.339 3.144 20 0 BGADHN C[C@H](N[C@H]1COc2ccccc21)[C@@H]1CC1(C)C ZINC000397691904 388490107 /nfs/dbraw/zinc/49/01/07/388490107.db2.gz OUYVWCYGRSISHT-DRZSPHRISA-N 0 3 231.339 3.144 20 0 BGADHN C[C@H](N[C@H]1COc2ccccc21)[C@H]1CC1(C)C ZINC000397691907 388490599 /nfs/dbraw/zinc/49/05/99/388490599.db2.gz OUYVWCYGRSISHT-UHTWSYAYSA-N 0 3 231.339 3.144 20 0 BGADHN C[C@H](N[C@@H]1COc2ccccc21)[C@@H]1CC1(C)C ZINC000397691909 388490313 /nfs/dbraw/zinc/49/03/13/388490313.db2.gz OUYVWCYGRSISHT-WCFLWFBJSA-N 0 3 231.339 3.144 20 0 BGADHN Fc1cc(Cl)ccc1CN[C@@H]1C[C@H]2C[C@H]2C1 ZINC000397695275 388450009 /nfs/dbraw/zinc/45/00/09/388450009.db2.gz DRLPKPITTBYXOW-PEGIJTEDSA-N 0 3 239.721 3.367 20 0 BGADHN C[C@H](NCc1ccc(C#N)cc1F)[C@@H]1CC1(C)C ZINC000397696737 350961401 /nfs/dbraw/zinc/96/14/01/350961401.db2.gz QHFXKEYRTDXKII-GWCFXTLKSA-N 0 3 246.329 3.222 20 0 BGADHN C[C@H](NCc1ccc(C#N)cc1F)[C@H]1CC1(C)C ZINC000397697234 385706166 /nfs/dbraw/zinc/70/61/66/385706166.db2.gz QHFXKEYRTDXKII-GXFFZTMASA-N 0 3 246.329 3.222 20 0 BGADHN C[C@@H](NCc1ccc(C#N)cc1F)[C@@H]1CC1(C)C ZINC000397697243 385705755 /nfs/dbraw/zinc/70/57/55/385705755.db2.gz QHFXKEYRTDXKII-MFKMUULPSA-N 0 3 246.329 3.222 20 0 BGADHN C[C@@H](NCc1ccc(C#N)cc1F)[C@H]1CC1(C)C ZINC000397697252 385705213 /nfs/dbraw/zinc/70/52/13/385705213.db2.gz QHFXKEYRTDXKII-ZWNOBZJWSA-N 0 3 246.329 3.222 20 0 BGADHN Fc1cccc(Cl)c1CN[C@@H]1C[C@H]2C[C@H]2C1 ZINC000397699226 388491399 /nfs/dbraw/zinc/49/13/99/388491399.db2.gz HOZHTZDFJMMQQB-ILWJIGKKSA-N 0 3 239.721 3.367 20 0 BGADHN CC(C)c1ccc(CNCC2=CCOCC2)cc1 ZINC000397702599 388492221 /nfs/dbraw/zinc/49/22/21/388492221.db2.gz KBRJAVNDIPZFPG-UHFFFAOYSA-N 0 3 245.366 3.246 20 0 BGADHN Fc1ccc(CN[C@@H]2C[C@H]3C[C@H]3C2)c(Cl)c1 ZINC000397704393 323087229 /nfs/dbraw/zinc/08/72/29/323087229.db2.gz LFMGLENVJLMDDA-PEGIJTEDSA-N 0 3 239.721 3.367 20 0 BGADHN Fc1ccc(Cl)cc1CN[C@@H]1C[C@H]2C[C@H]2C1 ZINC000397704697 388492092 /nfs/dbraw/zinc/49/20/92/388492092.db2.gz LPXUSQOIRVJXBH-BZBKMWRSSA-N 0 3 239.721 3.367 20 0 BGADHN C[C@H](N[C@@H]1C[C@H]2C[C@H]2C1)c1cc(F)ccc1F ZINC000397709592 323089101 /nfs/dbraw/zinc/08/91/01/323089101.db2.gz AYMFGJWBNKXXMJ-GUDRVLHUSA-N 0 3 237.293 3.414 20 0 BGADHN C[C@@H](N[C@@H]1C[C@H]2C[C@H]2C1)c1cc(F)ccc1F ZINC000397709596 388493343 /nfs/dbraw/zinc/49/33/43/388493343.db2.gz AYMFGJWBNKXXMJ-MWGHHZFTSA-N 0 3 237.293 3.414 20 0 BGADHN CC[C@H](N[C@@H]1C[C@H]2C[C@H]2C1)c1ccc(F)cn1 ZINC000397710407 262930373 /nfs/dbraw/zinc/93/03/73/262930373.db2.gz BLSWEGXTRNOWSB-LFSVMHDDSA-N 0 3 234.318 3.060 20 0 BGADHN CC[C@@H](N[C@@H]1C[C@H]2C[C@H]2C1)c1ccc(F)cn1 ZINC000397710408 388493090 /nfs/dbraw/zinc/49/30/90/388493090.db2.gz BLSWEGXTRNOWSB-LYIQGSDWSA-N 0 3 234.318 3.060 20 0 BGADHN Fc1c(Cl)cccc1CN[C@@H]1C[C@H]2C[C@H]2C1 ZINC000397713833 388494102 /nfs/dbraw/zinc/49/41/02/388494102.db2.gz QUKXBJBUHJMPAU-JGPRNRPPSA-N 0 3 239.721 3.367 20 0 BGADHN Cc1ccc([C@@H](C)N[C@@H]2C[C@H]3C[C@H]3C2)o1 ZINC000397718710 323090456 /nfs/dbraw/zinc/09/04/56/323090456.db2.gz IRJRHHXRAFSOHT-WISYIIOYSA-N 0 3 205.301 3.037 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H]2C[C@H]3C[C@H]3C2)o1 ZINC000397718711 323090437 /nfs/dbraw/zinc/09/04/37/323090437.db2.gz IRJRHHXRAFSOHT-YFKTTZPYSA-N 0 3 205.301 3.037 20 0 BGADHN CC(C)=CCCNCc1cnc2ccccc2n1 ZINC000397718895 362901903 /nfs/dbraw/zinc/90/19/03/362901903.db2.gz UYTLIZXCDXMFIK-UHFFFAOYSA-N 0 3 241.338 3.076 20 0 BGADHN c1cc(CNCC2=CCOCC2)cc(C2CC2)c1 ZINC000397721111 262930573 /nfs/dbraw/zinc/93/05/73/262930573.db2.gz BJLZVDXKMVWGHI-UHFFFAOYSA-N 0 3 243.350 3.000 20 0 BGADHN Cc1nc([C@@H](C)N[C@@H]2C[C@H]3C[C@H]3C2)c(C)s1 ZINC000397726584 410931777 /nfs/dbraw/zinc/93/17/77/410931777.db2.gz ZPMNHFPYDDEBSO-KPQFEUGASA-N 0 3 236.384 3.209 20 0 BGADHN Cc1nc([C@H](C)N[C@@H]2C[C@H]3C[C@H]3C2)c(C)s1 ZINC000397726588 410932409 /nfs/dbraw/zinc/93/24/09/410932409.db2.gz ZPMNHFPYDDEBSO-VKZDFBPFSA-N 0 3 236.384 3.209 20 0 BGADHN CC[C@H](NCC1=CCOCC1)c1ccccc1F ZINC000397729120 398122123 /nfs/dbraw/zinc/12/21/23/398122123.db2.gz BLWSBQHVJRMKIW-HNNXBMFYSA-N 0 3 249.329 3.213 20 0 BGADHN CC[C@@H](NCC1=CCOCC1)c1ccccc1F ZINC000397729122 398122224 /nfs/dbraw/zinc/12/22/24/398122224.db2.gz BLWSBQHVJRMKIW-OAHLLOKOSA-N 0 3 249.329 3.213 20 0 BGADHN C[C@H](N[C@@H]1C[C@H]2C[C@H]2C1)c1ccc(F)cc1F ZINC000397730199 398122215 /nfs/dbraw/zinc/12/22/15/398122215.db2.gz CQJIDOCKDVFAIS-GUDRVLHUSA-N 0 3 237.293 3.414 20 0 BGADHN C[C@@H](N[C@@H]1C[C@H]2C[C@H]2C1)c1ccc(F)cc1F ZINC000397730205 349312194 /nfs/dbraw/zinc/31/21/94/349312194.db2.gz CQJIDOCKDVFAIS-MWGHHZFTSA-N 0 3 237.293 3.414 20 0 BGADHN C[C@@H](N[C@@H]1C[C@H]2C[C@H]2C1)c1cccc(F)c1F ZINC000397741618 388495790 /nfs/dbraw/zinc/49/57/90/388495790.db2.gz IPFUEQVHXZZEAM-CHWFTXMASA-N 0 3 237.293 3.414 20 0 BGADHN C[C@H](N[C@@H]1C[C@H]2C[C@H]2C1)c1cccc(F)c1F ZINC000397741626 388495865 /nfs/dbraw/zinc/49/58/65/388495865.db2.gz IPFUEQVHXZZEAM-MMWGEVLESA-N 0 3 237.293 3.414 20 0 BGADHN CC[C@@H](NCc1cscn1)[C@H]1CC1(C)C ZINC000397755913 388496089 /nfs/dbraw/zinc/49/60/89/388496089.db2.gz QLHYHYYEKYQQDD-GHMZBOCLSA-N 0 3 224.373 3.057 20 0 BGADHN CC[C@H](NCc1cscn1)[C@H]1CC1(C)C ZINC000397755914 388496711 /nfs/dbraw/zinc/49/67/11/388496711.db2.gz QLHYHYYEKYQQDD-MNOVXSKESA-N 0 3 224.373 3.057 20 0 BGADHN CC[C@H](NCc1cscn1)[C@@H]1CC1(C)C ZINC000397755915 388496661 /nfs/dbraw/zinc/49/66/61/388496661.db2.gz QLHYHYYEKYQQDD-QWRGUYRKSA-N 0 3 224.373 3.057 20 0 BGADHN CC[C@@H](NCc1cscn1)[C@@H]1CC1(C)C ZINC000397755916 388496429 /nfs/dbraw/zinc/49/64/29/388496429.db2.gz QLHYHYYEKYQQDD-WDEREUQCSA-N 0 3 224.373 3.057 20 0 BGADHN c1cc(C2CC2)ccc1CNCC1=CCOCC1 ZINC000397756165 388496570 /nfs/dbraw/zinc/49/65/70/388496570.db2.gz SCKBQKCPLWXYBH-UHFFFAOYSA-N 0 3 243.350 3.000 20 0 BGADHN CCc1cnc(CN[C@@H](CC)[C@H]2CC2(C)C)o1 ZINC000397765418 410933911 /nfs/dbraw/zinc/93/39/11/410933911.db2.gz SRJIIHOVIYVRHC-NEPJUHHUSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1cnc(CN[C@H](CC)[C@@H]2CC2(C)C)o1 ZINC000397765422 410933736 /nfs/dbraw/zinc/93/37/36/410933736.db2.gz SRJIIHOVIYVRHC-NWDGAFQWSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1cnc(CN[C@@H](CC)[C@@H]2CC2(C)C)o1 ZINC000397765424 410934345 /nfs/dbraw/zinc/93/43/45/410934345.db2.gz SRJIIHOVIYVRHC-RYUDHWBXSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1cnc(CN[C@H](CC)[C@H]2CC2(C)C)o1 ZINC000397765426 410934379 /nfs/dbraw/zinc/93/43/79/410934379.db2.gz SRJIIHOVIYVRHC-VXGBXAGGSA-N 0 3 236.359 3.151 20 0 BGADHN CC[C@H](NCC1=CCOCC1)c1cccc(F)c1 ZINC000397767062 388497280 /nfs/dbraw/zinc/49/72/80/388497280.db2.gz NHMPGQGLEWNSOZ-HNNXBMFYSA-N 0 3 249.329 3.213 20 0 BGADHN CC[C@@H](NCC1=CCOCC1)c1cccc(F)c1 ZINC000397767063 388497028 /nfs/dbraw/zinc/49/70/28/388497028.db2.gz NHMPGQGLEWNSOZ-OAHLLOKOSA-N 0 3 249.329 3.213 20 0 BGADHN CC[C@H](NCc1csc(C)n1)[C@H]1CC1(C)C ZINC000397780436 388498699 /nfs/dbraw/zinc/49/86/99/388498699.db2.gz JBUMOHXJDBRBAD-NEPJUHHUSA-N 0 3 238.400 3.366 20 0 BGADHN CC[C@@H](NCc1csc(C)n1)[C@@H]1CC1(C)C ZINC000397780439 388498962 /nfs/dbraw/zinc/49/89/62/388498962.db2.gz JBUMOHXJDBRBAD-NWDGAFQWSA-N 0 3 238.400 3.366 20 0 BGADHN CC[C@H](NCc1csc(C)n1)[C@@H]1CC1(C)C ZINC000397780441 388499123 /nfs/dbraw/zinc/49/91/23/388499123.db2.gz JBUMOHXJDBRBAD-RYUDHWBXSA-N 0 3 238.400 3.366 20 0 BGADHN CC[C@@H](NCc1csc(C)n1)[C@H]1CC1(C)C ZINC000397780443 323096124 /nfs/dbraw/zinc/09/61/24/323096124.db2.gz JBUMOHXJDBRBAD-VXGBXAGGSA-N 0 3 238.400 3.366 20 0 BGADHN CCC[C@@H](NCc1nccn1CC)[C@H]1CC1(C)C ZINC000397785352 323096156 /nfs/dbraw/zinc/09/61/56/323096156.db2.gz JYOFKSKHVZTILC-CHWSQXEVSA-N 0 3 249.402 3.207 20 0 BGADHN CCC[C@H](NCc1nccn1CC)[C@H]1CC1(C)C ZINC000397785356 350174281 /nfs/dbraw/zinc/17/42/81/350174281.db2.gz JYOFKSKHVZTILC-OLZOCXBDSA-N 0 3 249.402 3.207 20 0 BGADHN CCC[C@@H](NCc1nccn1CC)[C@@H]1CC1(C)C ZINC000397785358 350174459 /nfs/dbraw/zinc/17/44/59/350174459.db2.gz JYOFKSKHVZTILC-QWHCGFSZSA-N 0 3 249.402 3.207 20 0 BGADHN CCC[C@H](NCc1nccn1CC)[C@@H]1CC1(C)C ZINC000397785361 350174752 /nfs/dbraw/zinc/17/47/52/350174752.db2.gz JYOFKSKHVZTILC-STQMWFEESA-N 0 3 249.402 3.207 20 0 BGADHN CC[C@@H](NCc1nccs1)[C@H]1CC1(C)C ZINC000397788998 388498566 /nfs/dbraw/zinc/49/85/66/388498566.db2.gz YZZDQQPPPOPXCN-NXEZZACHSA-N 0 3 224.373 3.057 20 0 BGADHN CC[C@H](NCc1nccs1)[C@@H]1CC1(C)C ZINC000397789000 323096387 /nfs/dbraw/zinc/09/63/87/323096387.db2.gz YZZDQQPPPOPXCN-UWVGGRQHSA-N 0 3 224.373 3.057 20 0 BGADHN CC[C@@H](NCc1nccs1)[C@@H]1CC1(C)C ZINC000397789001 323096320 /nfs/dbraw/zinc/09/63/20/323096320.db2.gz YZZDQQPPPOPXCN-VHSXEESVSA-N 0 3 224.373 3.057 20 0 BGADHN CC[C@H](NCc1nccs1)[C@H]1CC1(C)C ZINC000397789002 323096311 /nfs/dbraw/zinc/09/63/11/323096311.db2.gz YZZDQQPPPOPXCN-ZJUUUORDSA-N 0 3 224.373 3.057 20 0 BGADHN CCC[C@@H](NCc1nccs1)[C@H]1CC1(C)C ZINC000397789060 388499078 /nfs/dbraw/zinc/49/90/78/388499078.db2.gz PTHQLYDAMRLJIQ-GHMZBOCLSA-N 0 3 238.400 3.448 20 0 BGADHN CCC[C@H](NCc1nccs1)[C@H]1CC1(C)C ZINC000397789061 388498886 /nfs/dbraw/zinc/49/88/86/388498886.db2.gz PTHQLYDAMRLJIQ-MNOVXSKESA-N 0 3 238.400 3.448 20 0 BGADHN CCC[C@H](NCc1nccs1)[C@@H]1CC1(C)C ZINC000397789062 388498984 /nfs/dbraw/zinc/49/89/84/388498984.db2.gz PTHQLYDAMRLJIQ-QWRGUYRKSA-N 0 3 238.400 3.448 20 0 BGADHN CCC[C@@H](NCc1nccs1)[C@@H]1CC1(C)C ZINC000397789063 388499749 /nfs/dbraw/zinc/49/97/49/388499749.db2.gz PTHQLYDAMRLJIQ-WDEREUQCSA-N 0 3 238.400 3.448 20 0 BGADHN C[C@H](N[C@@H](C)[C@@H]1CC1(C)C)c1cscn1 ZINC000397790322 357696958 /nfs/dbraw/zinc/69/69/58/357696958.db2.gz KUXSVJWXCPGLLS-GUBZILKMSA-N 0 3 224.373 3.228 20 0 BGADHN C[C@@H](N[C@@H](C)c1cscn1)[C@H]1CC1(C)C ZINC000397790324 357697115 /nfs/dbraw/zinc/69/71/15/357697115.db2.gz KUXSVJWXCPGLLS-KXUCPTDWSA-N 0 3 224.373 3.228 20 0 BGADHN C[C@H](N[C@@H](C)[C@H]1CC1(C)C)c1cscn1 ZINC000397790327 357697080 /nfs/dbraw/zinc/69/70/80/357697080.db2.gz KUXSVJWXCPGLLS-LPEHRKFASA-N 0 3 224.373 3.228 20 0 BGADHN C[C@@H](N[C@@H](C)c1cscn1)[C@@H]1CC1(C)C ZINC000397790330 357696668 /nfs/dbraw/zinc/69/66/68/357696668.db2.gz KUXSVJWXCPGLLS-UTLUCORTSA-N 0 3 224.373 3.228 20 0 BGADHN CCC[C@@H](NCc1cocn1)C1CCCC1 ZINC000397804095 388501243 /nfs/dbraw/zinc/50/12/43/388501243.db2.gz MPFOWULDFOKGSY-CYBMUJFWSA-N 0 3 222.332 3.123 20 0 BGADHN CCC[C@H](NCc1cocn1)C1CCCC1 ZINC000397804098 388500953 /nfs/dbraw/zinc/50/09/53/388500953.db2.gz MPFOWULDFOKGSY-ZDUSSCGKSA-N 0 3 222.332 3.123 20 0 BGADHN CCC[C@H](NCc1cscn1)[C@H]1CC1(C)C ZINC000397806316 388501165 /nfs/dbraw/zinc/50/11/65/388501165.db2.gz SBUADBWPYWIBCC-NEPJUHHUSA-N 0 3 238.400 3.448 20 0 BGADHN CCC[C@@H](NCc1cscn1)[C@@H]1CC1(C)C ZINC000397806320 262935017 /nfs/dbraw/zinc/93/50/17/262935017.db2.gz SBUADBWPYWIBCC-NWDGAFQWSA-N 0 3 238.400 3.448 20 0 BGADHN CCC[C@H](NCc1cscn1)[C@@H]1CC1(C)C ZINC000397806324 388500881 /nfs/dbraw/zinc/50/08/81/388500881.db2.gz SBUADBWPYWIBCC-RYUDHWBXSA-N 0 3 238.400 3.448 20 0 BGADHN CCC[C@@H](NCc1cscn1)[C@H]1CC1(C)C ZINC000397806328 388501248 /nfs/dbraw/zinc/50/12/48/388501248.db2.gz SBUADBWPYWIBCC-VXGBXAGGSA-N 0 3 238.400 3.448 20 0 BGADHN CC(C)=CCCNCc1ccncc1Cl ZINC000397823303 350979046 /nfs/dbraw/zinc/97/90/46/350979046.db2.gz OJTPDUCIRZPNDN-UHFFFAOYSA-N 0 3 224.735 3.181 20 0 BGADHN Cc1cccc(CN[C@H]2CS[C@@H](C)C2)c1F ZINC000397823967 262936179 /nfs/dbraw/zinc/93/61/79/262936179.db2.gz VPUOBMXEFTZVFS-CMPLNLGQSA-N 0 3 239.359 3.118 20 0 BGADHN Cc1cccc(CN[C@@H]2CS[C@@H](C)C2)c1F ZINC000397823968 388502445 /nfs/dbraw/zinc/50/24/45/388502445.db2.gz VPUOBMXEFTZVFS-JQWIXIFHSA-N 0 3 239.359 3.118 20 0 BGADHN Cc1cccc(CN[C@@H]2CS[C@H](C)C2)c1F ZINC000397823969 388502599 /nfs/dbraw/zinc/50/25/99/388502599.db2.gz VPUOBMXEFTZVFS-PWSUYJOCSA-N 0 3 239.359 3.118 20 0 BGADHN Cc1cccc(CN[C@H]2CS[C@H](C)C2)c1F ZINC000397823970 262936021 /nfs/dbraw/zinc/93/60/21/262936021.db2.gz VPUOBMXEFTZVFS-ZYHUDNBSSA-N 0 3 239.359 3.118 20 0 BGADHN C[C@@H](NCc1cc(F)ccc1F)[C@H]1CC1(C)C ZINC000397824912 262935997 /nfs/dbraw/zinc/93/59/97/262935997.db2.gz LVJNRQBKGUDBCI-BXKDBHETSA-N 0 3 239.309 3.489 20 0 BGADHN C[C@H](NCc1cc(F)ccc1F)[C@@H]1CC1(C)C ZINC000397824913 388502909 /nfs/dbraw/zinc/50/29/09/388502909.db2.gz LVJNRQBKGUDBCI-CABZTGNLSA-N 0 3 239.309 3.489 20 0 BGADHN C[C@H](NCc1cc(F)ccc1F)[C@H]1CC1(C)C ZINC000397824914 388502828 /nfs/dbraw/zinc/50/28/28/388502828.db2.gz LVJNRQBKGUDBCI-JOYOIKCWSA-N 0 3 239.309 3.489 20 0 BGADHN C[C@@H](NCc1cc(F)ccc1F)[C@@H]1CC1(C)C ZINC000397824915 388502460 /nfs/dbraw/zinc/50/24/60/388502460.db2.gz LVJNRQBKGUDBCI-SKDRFNHKSA-N 0 3 239.309 3.489 20 0 BGADHN Cc1ccc(F)c(CN[C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000397831058 262936609 /nfs/dbraw/zinc/93/66/09/262936609.db2.gz KTLPQYOMSIKSHE-PTEHBNRSSA-N 0 3 219.303 3.022 20 0 BGADHN CC[C@@H](NCc1ncc(C)s1)[C@H]1CC1(C)C ZINC000397842846 262936897 /nfs/dbraw/zinc/93/68/97/262936897.db2.gz UPHMNLSZHMMDLF-GHMZBOCLSA-N 0 3 238.400 3.366 20 0 BGADHN CC[C@H](NCc1ncc(C)s1)[C@H]1CC1(C)C ZINC000397842850 388504836 /nfs/dbraw/zinc/50/48/36/388504836.db2.gz UPHMNLSZHMMDLF-MNOVXSKESA-N 0 3 238.400 3.366 20 0 BGADHN CC[C@H](NCc1ncc(C)s1)[C@@H]1CC1(C)C ZINC000397842851 262937239 /nfs/dbraw/zinc/93/72/39/262937239.db2.gz UPHMNLSZHMMDLF-QWRGUYRKSA-N 0 3 238.400 3.366 20 0 BGADHN CC[C@@H](NCc1ncc(C)s1)[C@@H]1CC1(C)C ZINC000397842854 388505058 /nfs/dbraw/zinc/50/50/58/388505058.db2.gz UPHMNLSZHMMDLF-WDEREUQCSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1ncc(CN[C@H]2CCC(C)(C)C[C@@H]2C)o1 ZINC000397853565 388506480 /nfs/dbraw/zinc/50/64/80/388506480.db2.gz ADGOKKKZEFOAOT-GWCFXTLKSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1ncc(CN[C@@H]2CCC(C)(C)C[C@@H]2C)o1 ZINC000397853566 388506126 /nfs/dbraw/zinc/50/61/26/388506126.db2.gz ADGOKKKZEFOAOT-GXFFZTMASA-N 0 3 236.359 3.287 20 0 BGADHN Cc1ncc(CN[C@H]2CCC(C)(C)C[C@H]2C)o1 ZINC000397853567 388506681 /nfs/dbraw/zinc/50/66/81/388506681.db2.gz ADGOKKKZEFOAOT-MFKMUULPSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1ncc(CN[C@@H]2CCC(C)(C)C[C@H]2C)o1 ZINC000397853568 388506242 /nfs/dbraw/zinc/50/62/42/388506242.db2.gz ADGOKKKZEFOAOT-ZWNOBZJWSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1ncc(CNCC2(C)CCCCC2)o1 ZINC000397855216 362926907 /nfs/dbraw/zinc/92/69/07/362926907.db2.gz AWHTXGPNAVVVAN-UHFFFAOYSA-N 0 3 222.332 3.043 20 0 BGADHN Cc1ncc(CNCC2(C)CCCCCC2)o1 ZINC000397856004 388506570 /nfs/dbraw/zinc/50/65/70/388506570.db2.gz BAKWAGUZMVPURY-UHFFFAOYSA-N 0 3 236.359 3.433 20 0 BGADHN Cc1ncc(CN[C@H]2CCCC[C@H]2C(C)C)o1 ZINC000397856763 388506553 /nfs/dbraw/zinc/50/65/53/388506553.db2.gz BOOBRBBMWJTXLN-KBPBESRZSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1ncc(CN[C@H]2CCCC[C@@H]2C(C)C)o1 ZINC000397856765 388506627 /nfs/dbraw/zinc/50/66/27/388506627.db2.gz BOOBRBBMWJTXLN-KGLIPLIRSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1ncc(CN[C@@H]2CCCC[C@H]2C(C)C)o1 ZINC000397856767 388506170 /nfs/dbraw/zinc/50/61/70/388506170.db2.gz BOOBRBBMWJTXLN-UONOGXRCSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1ncc(CN[C@@H]2CCCC[C@@H]2C(C)C)o1 ZINC000397856770 388506261 /nfs/dbraw/zinc/50/62/61/388506261.db2.gz BOOBRBBMWJTXLN-ZIAGYGMSSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1ncc(CNCCCC2CCCCC2)o1 ZINC000397858815 388506653 /nfs/dbraw/zinc/50/66/53/388506653.db2.gz COTBFUCTLCKUTB-UHFFFAOYSA-N 0 3 236.359 3.433 20 0 BGADHN CC[C@@H]1CCC[C@@H](CNCc2cnc(C)o2)C1 ZINC000397861157 388507516 /nfs/dbraw/zinc/50/75/16/388507516.db2.gz DKLIXEYDXIKCMK-CHWSQXEVSA-N 0 3 236.359 3.289 20 0 BGADHN CC[C@@H]1CCC[C@H](CNCc2cnc(C)o2)C1 ZINC000397861160 323099032 /nfs/dbraw/zinc/09/90/32/323099032.db2.gz DKLIXEYDXIKCMK-OLZOCXBDSA-N 0 3 236.359 3.289 20 0 BGADHN CC[C@H]1CCC[C@@H](CNCc2cnc(C)o2)C1 ZINC000397861162 323099040 /nfs/dbraw/zinc/09/90/40/323099040.db2.gz DKLIXEYDXIKCMK-QWHCGFSZSA-N 0 3 236.359 3.289 20 0 BGADHN CC[C@H]1CCC[C@H](CNCc2cnc(C)o2)C1 ZINC000397861164 323099027 /nfs/dbraw/zinc/09/90/27/323099027.db2.gz DKLIXEYDXIKCMK-STQMWFEESA-N 0 3 236.359 3.289 20 0 BGADHN CC[C@@H](NCc1nc(C)cs1)[C@H]1CC1(C)C ZINC000397862322 323099133 /nfs/dbraw/zinc/09/91/33/323099133.db2.gz YJLWPCVLBCIJSM-GHMZBOCLSA-N 0 3 238.400 3.366 20 0 BGADHN CC[C@H](NCc1nc(C)cs1)[C@H]1CC1(C)C ZINC000397862324 323099131 /nfs/dbraw/zinc/09/91/31/323099131.db2.gz YJLWPCVLBCIJSM-MNOVXSKESA-N 0 3 238.400 3.366 20 0 BGADHN CC[C@H](NCc1nc(C)cs1)[C@@H]1CC1(C)C ZINC000397862327 323099122 /nfs/dbraw/zinc/09/91/22/323099122.db2.gz YJLWPCVLBCIJSM-QWRGUYRKSA-N 0 3 238.400 3.366 20 0 BGADHN CC[C@@H](NCc1nc(C)cs1)[C@@H]1CC1(C)C ZINC000397862334 323099141 /nfs/dbraw/zinc/09/91/41/323099141.db2.gz YJLWPCVLBCIJSM-WDEREUQCSA-N 0 3 238.400 3.366 20 0 BGADHN Cc1ncc(CNC2CCC(C(C)C)CC2)o1 ZINC000397865064 388506905 /nfs/dbraw/zinc/50/69/05/388506905.db2.gz FZKBBOQPQGKGFY-UHFFFAOYSA-N 0 3 236.359 3.287 20 0 BGADHN CCCC1CCC(NCc2cnc(C)o2)CC1 ZINC000397869143 388507473 /nfs/dbraw/zinc/50/74/73/388507473.db2.gz HEMIBTDLPWONIQ-UHFFFAOYSA-N 0 3 236.359 3.432 20 0 BGADHN C[C@H]1C[C@@H](NCc2coc3ccccc23)CS1 ZINC000397871137 388508095 /nfs/dbraw/zinc/50/80/95/388508095.db2.gz SRSMOESUDDYNGH-CMPLNLGQSA-N 0 3 247.363 3.416 20 0 BGADHN C[C@H]1C[C@H](NCc2coc3ccccc23)CS1 ZINC000397871469 388507944 /nfs/dbraw/zinc/50/79/44/388507944.db2.gz SRSMOESUDDYNGH-JQWIXIFHSA-N 0 3 247.363 3.416 20 0 BGADHN C[C@@H]1C[C@H](NCc2coc3ccccc23)CS1 ZINC000397871472 388508037 /nfs/dbraw/zinc/50/80/37/388508037.db2.gz SRSMOESUDDYNGH-PWSUYJOCSA-N 0 3 247.363 3.416 20 0 BGADHN C[C@@H]1C[C@@H](NCc2coc3ccccc23)CS1 ZINC000397871474 388508486 /nfs/dbraw/zinc/50/84/86/388508486.db2.gz SRSMOESUDDYNGH-ZYHUDNBSSA-N 0 3 247.363 3.416 20 0 BGADHN Cc1ncc(CN[C@@H]2CCC[C@@H](C(C)C)C2)o1 ZINC000397872320 388508045 /nfs/dbraw/zinc/50/80/45/388508045.db2.gz IPKOINMMZBCAIJ-CHWSQXEVSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1ncc(CN[C@H]2CCC[C@@H](C(C)C)C2)o1 ZINC000397872324 388508270 /nfs/dbraw/zinc/50/82/70/388508270.db2.gz IPKOINMMZBCAIJ-OLZOCXBDSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1ncc(CN[C@@H]2CCC[C@H](C(C)C)C2)o1 ZINC000397872325 388508466 /nfs/dbraw/zinc/50/84/66/388508466.db2.gz IPKOINMMZBCAIJ-QWHCGFSZSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1ncc(CN[C@H]2CCC[C@H](C(C)C)C2)o1 ZINC000397872326 388508001 /nfs/dbraw/zinc/50/80/01/388508001.db2.gz IPKOINMMZBCAIJ-STQMWFEESA-N 0 3 236.359 3.287 20 0 BGADHN C[C@@H](NCc1ccc(F)cc1F)[C@H]1CC1(C)C ZINC000397873787 323099673 /nfs/dbraw/zinc/09/96/73/323099673.db2.gz YCBJUDBSNNOXPF-BXKDBHETSA-N 0 3 239.309 3.489 20 0 BGADHN C[C@H](NCc1ccc(F)cc1F)[C@@H]1CC1(C)C ZINC000397873788 323099755 /nfs/dbraw/zinc/09/97/55/323099755.db2.gz YCBJUDBSNNOXPF-CABZTGNLSA-N 0 3 239.309 3.489 20 0 BGADHN C[C@H](NCc1ccc(F)cc1F)[C@H]1CC1(C)C ZINC000397873789 323099737 /nfs/dbraw/zinc/09/97/37/323099737.db2.gz YCBJUDBSNNOXPF-JOYOIKCWSA-N 0 3 239.309 3.489 20 0 BGADHN C[C@@H](NCc1ccc(F)cc1F)[C@@H]1CC1(C)C ZINC000397873790 323099723 /nfs/dbraw/zinc/09/97/23/323099723.db2.gz YCBJUDBSNNOXPF-SKDRFNHKSA-N 0 3 239.309 3.489 20 0 BGADHN Cc1ncc(CNCC2CCC(C)(C)CC2)o1 ZINC000397874278 388508012 /nfs/dbraw/zinc/50/80/12/388508012.db2.gz JIQDPYVTSDQWRH-UHFFFAOYSA-N 0 3 236.359 3.289 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CN[C@@H]2C[C@H]3C[C@H]3C2)o1 ZINC000397876056 323099911 /nfs/dbraw/zinc/09/99/11/323099911.db2.gz KWJGNCGQFQOZAR-DIACKHNESA-N 0 3 231.339 3.291 20 0 BGADHN C[C@@H]1C[C@H]1c1ccc(CN[C@@H]2C[C@H]3C[C@H]3C2)o1 ZINC000397876062 323099919 /nfs/dbraw/zinc/09/99/19/323099919.db2.gz KWJGNCGQFQOZAR-YGEZULPYSA-N 0 3 231.339 3.291 20 0 BGADHN CC[C@@H]1CCC[C@@H](NCc2cnc(C)o2)CC1 ZINC000397878352 488161184 /nfs/dbraw/zinc/16/11/84/488161184.db2.gz LEMDQEUQDJMDAJ-CHWSQXEVSA-N 0 3 236.359 3.432 20 0 BGADHN CC[C@@H]1CCC[C@H](NCc2cnc(C)o2)CC1 ZINC000397878354 488161217 /nfs/dbraw/zinc/16/12/17/488161217.db2.gz LEMDQEUQDJMDAJ-OLZOCXBDSA-N 0 3 236.359 3.432 20 0 BGADHN CC[C@H]1CCC[C@@H](NCc2cnc(C)o2)CC1 ZINC000397878356 488161201 /nfs/dbraw/zinc/16/12/01/488161201.db2.gz LEMDQEUQDJMDAJ-QWHCGFSZSA-N 0 3 236.359 3.432 20 0 BGADHN CC[C@H]1CCC[C@H](NCc2cnc(C)o2)CC1 ZINC000397878358 488161233 /nfs/dbraw/zinc/16/12/33/488161233.db2.gz LEMDQEUQDJMDAJ-STQMWFEESA-N 0 3 236.359 3.432 20 0 BGADHN C[C@H]1C[C@@H](NCc2cc3ccccc3o2)CS1 ZINC000397878883 388507974 /nfs/dbraw/zinc/50/79/74/388507974.db2.gz XETJRBFWTODGCO-CMPLNLGQSA-N 0 3 247.363 3.416 20 0 BGADHN C[C@H]1C[C@H](NCc2cc3ccccc3o2)CS1 ZINC000397878886 388508508 /nfs/dbraw/zinc/50/85/08/388508508.db2.gz XETJRBFWTODGCO-JQWIXIFHSA-N 0 3 247.363 3.416 20 0 BGADHN C[C@@H]1C[C@H](NCc2cc3ccccc3o2)CS1 ZINC000397878889 388508105 /nfs/dbraw/zinc/50/81/05/388508105.db2.gz XETJRBFWTODGCO-PWSUYJOCSA-N 0 3 247.363 3.416 20 0 BGADHN C[C@@H]1C[C@@H](NCc2cc3ccccc3o2)CS1 ZINC000397878892 388508556 /nfs/dbraw/zinc/50/85/56/388508556.db2.gz XETJRBFWTODGCO-ZYHUDNBSSA-N 0 3 247.363 3.416 20 0 BGADHN Cc1nocc1CNCCCCc1ccccc1 ZINC000397882093 410937817 /nfs/dbraw/zinc/93/78/17/410937817.db2.gz NKLUVUVDCHKMEX-UHFFFAOYSA-N 0 3 244.338 3.096 20 0 BGADHN Cc1ccc(F)cc1CN[C@@H]1CS[C@@H](C)C1 ZINC000397884322 388508980 /nfs/dbraw/zinc/50/89/80/388508980.db2.gz MQBYNBWXZNRPJU-GWCFXTLKSA-N 0 3 239.359 3.118 20 0 BGADHN Cc1ccc(F)cc1CN[C@H]1CS[C@@H](C)C1 ZINC000397884325 386531175 /nfs/dbraw/zinc/53/11/75/386531175.db2.gz MQBYNBWXZNRPJU-GXFFZTMASA-N 0 3 239.359 3.118 20 0 BGADHN Cc1ccc(F)cc1CN[C@@H]1CS[C@H](C)C1 ZINC000397884327 388508873 /nfs/dbraw/zinc/50/88/73/388508873.db2.gz MQBYNBWXZNRPJU-MFKMUULPSA-N 0 3 239.359 3.118 20 0 BGADHN Cc1ccc(F)cc1CN[C@H]1CS[C@H](C)C1 ZINC000397884329 388508834 /nfs/dbraw/zinc/50/88/34/388508834.db2.gz MQBYNBWXZNRPJU-ZWNOBZJWSA-N 0 3 239.359 3.118 20 0 BGADHN Cc1nocc1CNCC1CCCCCC1 ZINC000397886248 388508921 /nfs/dbraw/zinc/50/89/21/388508921.db2.gz DDOUESZFVRIMTN-UHFFFAOYSA-N 0 3 222.332 3.043 20 0 BGADHN Cc1ncc(CN[C@H](C)[C@@H]2CC3CCC2CC3)o1 ZINC000397887793 363742170 /nfs/dbraw/zinc/74/21/70/363742170.db2.gz PYUUEYMNXOWAJS-ADBWKJQBSA-N 0 3 248.370 3.287 20 0 BGADHN Cc1ncc(CN[C@H](C)[C@H]2CC3CCC2CC3)o1 ZINC000397887794 362932358 /nfs/dbraw/zinc/93/23/58/362932358.db2.gz PYUUEYMNXOWAJS-DPBOGPHSSA-N 0 3 248.370 3.287 20 0 BGADHN Cc1ncc(CN[C@@H](C)[C@H]2CC3CCC2CC3)o1 ZINC000397887795 362932091 /nfs/dbraw/zinc/93/20/91/362932091.db2.gz PYUUEYMNXOWAJS-LAKVINJISA-N 0 3 248.370 3.287 20 0 BGADHN Cc1ncc(CN[C@@H](C)[C@@H]2CC3CCC2CC3)o1 ZINC000397887796 362932149 /nfs/dbraw/zinc/93/21/49/362932149.db2.gz PYUUEYMNXOWAJS-PXAAAUNGSA-N 0 3 248.370 3.287 20 0 BGADHN Cc1ncc(CN[C@@H]2C[C@H](C)CC(C)(C)C2)o1 ZINC000397891136 388510156 /nfs/dbraw/zinc/51/01/56/388510156.db2.gz RPDSMYQQWXXDAQ-CMPLNLGQSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1ncc(CN[C@H]2C[C@H](C)CC(C)(C)C2)o1 ZINC000397891137 388510014 /nfs/dbraw/zinc/51/00/14/388510014.db2.gz RPDSMYQQWXXDAQ-JQWIXIFHSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1ncc(CN[C@H]2C[C@@H](C)CC(C)(C)C2)o1 ZINC000397891138 388510144 /nfs/dbraw/zinc/51/01/44/388510144.db2.gz RPDSMYQQWXXDAQ-PWSUYJOCSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1ncc(CN[C@@H]2C[C@@H](C)CC(C)(C)C2)o1 ZINC000397891140 388509855 /nfs/dbraw/zinc/50/98/55/388509855.db2.gz RPDSMYQQWXXDAQ-ZYHUDNBSSA-N 0 3 236.359 3.287 20 0 BGADHN CC(C)(C)C1CCC(NCc2cocn2)CC1 ZINC000397892840 350987653 /nfs/dbraw/zinc/98/76/53/350987653.db2.gz NRXJHOOZBLHDPZ-UHFFFAOYSA-N 0 3 236.359 3.369 20 0 BGADHN CC(C)C[C@H]1CCC[C@@H](NCc2cocn2)C1 ZINC000397892851 583111586 /nfs/dbraw/zinc/11/15/86/583111586.db2.gz NSOHFLBKZXZRIC-CHWSQXEVSA-N 0 3 236.359 3.369 20 0 BGADHN CC(C)C[C@H]1CCC[C@H](NCc2cocn2)C1 ZINC000397892852 583111362 /nfs/dbraw/zinc/11/13/62/583111362.db2.gz NSOHFLBKZXZRIC-OLZOCXBDSA-N 0 3 236.359 3.369 20 0 BGADHN CC(C)C[C@@H]1CCC[C@@H](NCc2cocn2)C1 ZINC000397892853 583111759 /nfs/dbraw/zinc/11/17/59/583111759.db2.gz NSOHFLBKZXZRIC-QWHCGFSZSA-N 0 3 236.359 3.369 20 0 BGADHN CC(C)C[C@@H]1CCC[C@H](NCc2cocn2)C1 ZINC000397892854 583111717 /nfs/dbraw/zinc/11/17/17/583111717.db2.gz NSOHFLBKZXZRIC-STQMWFEESA-N 0 3 236.359 3.369 20 0 BGADHN CCC[C@H](NCc1cnc(C)o1)C1CCCC1 ZINC000397893229 388510119 /nfs/dbraw/zinc/51/01/19/388510119.db2.gz SQRYTEUAUFQLME-AWEZNQCLSA-N 0 3 236.359 3.432 20 0 BGADHN CCC[C@@H](NCc1cnc(C)o1)C1CCCC1 ZINC000397893230 388509718 /nfs/dbraw/zinc/50/97/18/388509718.db2.gz SQRYTEUAUFQLME-CQSZACIVSA-N 0 3 236.359 3.432 20 0 BGADHN CC[C@@H](NCc1cnc(C)o1)C1CCCC1 ZINC000397895019 388509698 /nfs/dbraw/zinc/50/96/98/388509698.db2.gz UGUWXJOUHUVKBH-CYBMUJFWSA-N 0 3 222.332 3.041 20 0 BGADHN CC[C@H](NCc1cnc(C)o1)C1CCCC1 ZINC000397895021 388509576 /nfs/dbraw/zinc/50/95/76/388509576.db2.gz UGUWXJOUHUVKBH-ZDUSSCGKSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1ncc(CNC[C@@H](C)C2CCCCC2)o1 ZINC000397895820 363762437 /nfs/dbraw/zinc/76/24/37/363762437.db2.gz UNOPULABHXHQAB-LLVKDONJSA-N 0 3 236.359 3.289 20 0 BGADHN Cc1ncc(CNC[C@H](C)C2CCCCC2)o1 ZINC000397895823 362934135 /nfs/dbraw/zinc/93/41/35/362934135.db2.gz UNOPULABHXHQAB-NSHDSACASA-N 0 3 236.359 3.289 20 0 BGADHN Cc1ccc(CN[C@H]2CS[C@@H](C)C2)cc1F ZINC000397899119 388510138 /nfs/dbraw/zinc/51/01/38/388510138.db2.gz UKEKMIGJWQTUCX-CMPLNLGQSA-N 0 3 239.359 3.118 20 0 BGADHN Cc1ccc(CN[C@@H]2CS[C@@H](C)C2)cc1F ZINC000397899120 388509686 /nfs/dbraw/zinc/50/96/86/388509686.db2.gz UKEKMIGJWQTUCX-JQWIXIFHSA-N 0 3 239.359 3.118 20 0 BGADHN Cc1ccc(CN[C@@H]2CS[C@H](C)C2)cc1F ZINC000397899121 388510103 /nfs/dbraw/zinc/51/01/03/388510103.db2.gz UKEKMIGJWQTUCX-PWSUYJOCSA-N 0 3 239.359 3.118 20 0 BGADHN Cc1ccc(CN[C@H]2CS[C@H](C)C2)cc1F ZINC000397899122 388509941 /nfs/dbraw/zinc/50/99/41/388509941.db2.gz UKEKMIGJWQTUCX-ZYHUDNBSSA-N 0 3 239.359 3.118 20 0 BGADHN CCC(CC)(CC)CNCc1cnc(C)o1 ZINC000397899843 262940049 /nfs/dbraw/zinc/94/00/49/262940049.db2.gz WGYIJGRNMCXENJ-UHFFFAOYSA-N 0 3 224.348 3.289 20 0 BGADHN Cc1ncc(CNCCC2CCCCCC2)o1 ZINC000397901317 388510814 /nfs/dbraw/zinc/51/08/14/388510814.db2.gz WQKNDTONVXBKLX-UHFFFAOYSA-N 0 3 236.359 3.433 20 0 BGADHN Cc1nocc1CN[C@@H]1CCC[C@H](C2CC2)C1 ZINC000397904726 388510971 /nfs/dbraw/zinc/51/09/71/388510971.db2.gz DGMHUQHLRWRKAT-GXTWGEPZSA-N 0 3 234.343 3.041 20 0 BGADHN Cc1nocc1CN[C@H]1CCC[C@H](C2CC2)C1 ZINC000397904727 410936245 /nfs/dbraw/zinc/93/62/45/410936245.db2.gz DGMHUQHLRWRKAT-JSGCOSHPSA-N 0 3 234.343 3.041 20 0 BGADHN Cc1nocc1CN[C@H]1CCC[C@@H](C2CC2)C1 ZINC000397904728 487655622 /nfs/dbraw/zinc/65/56/22/487655622.db2.gz DGMHUQHLRWRKAT-OCCSQVGLSA-N 0 3 234.343 3.041 20 0 BGADHN Cc1nocc1CN[C@@H]1CCC[C@@H](C2CC2)C1 ZINC000397904729 410938195 /nfs/dbraw/zinc/93/81/95/410938195.db2.gz DGMHUQHLRWRKAT-TZMCWYRMSA-N 0 3 234.343 3.041 20 0 BGADHN CCC[C@@H](NCc1cnc(C)o1)C1CCC1 ZINC000397905107 388510913 /nfs/dbraw/zinc/51/09/13/388510913.db2.gz YJOIZUIDPQJSBD-CYBMUJFWSA-N 0 3 222.332 3.041 20 0 BGADHN CCC[C@H](NCc1cnc(C)o1)C1CCC1 ZINC000397905109 388510932 /nfs/dbraw/zinc/51/09/32/388510932.db2.gz YJOIZUIDPQJSBD-ZDUSSCGKSA-N 0 3 222.332 3.041 20 0 BGADHN COCCC(C)(C)NCc1cccc(C)c1F ZINC000397905136 388510830 /nfs/dbraw/zinc/51/08/30/388510830.db2.gz VLHQMKTUGGYCLK-UHFFFAOYSA-N 0 3 239.334 3.039 20 0 BGADHN Cc1ncc(CN[C@@H]2CCCC(C)(C)CC2)o1 ZINC000397905534 357797796 /nfs/dbraw/zinc/79/77/96/357797796.db2.gz YSCYBFCCMPTTBT-GFCCVEGCSA-N 0 3 236.359 3.432 20 0 BGADHN Cc1ncc(CN[C@H]2CCCC(C)(C)CC2)o1 ZINC000397905535 357797073 /nfs/dbraw/zinc/79/70/73/357797073.db2.gz YSCYBFCCMPTTBT-LBPRGKRZSA-N 0 3 236.359 3.432 20 0 BGADHN Cc1ncc(CN[C@@H](CCC(C)C)C2CC2)o1 ZINC000397906441 388510686 /nfs/dbraw/zinc/51/06/86/388510686.db2.gz ZDVQCNKMWIODBK-AWEZNQCLSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1ncc(CN[C@H](CCC(C)C)C2CC2)o1 ZINC000397906442 388510747 /nfs/dbraw/zinc/51/07/47/388510747.db2.gz ZDVQCNKMWIODBK-CQSZACIVSA-N 0 3 236.359 3.287 20 0 BGADHN CCCCC[C@H](C)NCc1cnc(C)o1 ZINC000397907459 711396204 /nfs/dbraw/zinc/39/62/04/711396204.db2.gz FYKIIWMTBBLBGI-JTQLQIEISA-N 0 3 210.321 3.041 20 0 BGADHN CCCCC[C@@H](C)NCc1cnc(C)o1 ZINC000397907462 711760129 /nfs/dbraw/zinc/76/01/29/711760129.db2.gz FYKIIWMTBBLBGI-SNVBAGLBSA-N 0 3 210.321 3.041 20 0 BGADHN Cc1ccc(F)c(CN[C@H]2CS[C@@H](C)C2)c1 ZINC000397909431 388511229 /nfs/dbraw/zinc/51/12/29/388511229.db2.gz ZCYLZAMXZSOORL-CMPLNLGQSA-N 0 3 239.359 3.118 20 0 BGADHN Cc1ccc(F)c(CN[C@@H]2CS[C@@H](C)C2)c1 ZINC000397909433 388511363 /nfs/dbraw/zinc/51/13/63/388511363.db2.gz ZCYLZAMXZSOORL-JQWIXIFHSA-N 0 3 239.359 3.118 20 0 BGADHN Cc1ccc(F)c(CN[C@@H]2CS[C@H](C)C2)c1 ZINC000397909435 388511241 /nfs/dbraw/zinc/51/12/41/388511241.db2.gz ZCYLZAMXZSOORL-PWSUYJOCSA-N 0 3 239.359 3.118 20 0 BGADHN Cc1ccc(F)c(CN[C@H]2CS[C@H](C)C2)c1 ZINC000397909437 323101011 /nfs/dbraw/zinc/10/10/11/323101011.db2.gz ZCYLZAMXZSOORL-ZYHUDNBSSA-N 0 3 239.359 3.118 20 0 BGADHN CC[C@@H](Cc1ccccc1)NCc1cnc(C)o1 ZINC000397910911 411243857 /nfs/dbraw/zinc/24/38/57/411243857.db2.gz DCUCLNHZHJCBLE-AWEZNQCLSA-N 0 3 244.338 3.094 20 0 BGADHN CC[C@H](Cc1ccccc1)NCc1cnc(C)o1 ZINC000397910913 411243831 /nfs/dbraw/zinc/24/38/31/411243831.db2.gz DCUCLNHZHJCBLE-CQSZACIVSA-N 0 3 244.338 3.094 20 0 BGADHN Cc1ncc(CN[C@H](C)CCc2ccccc2)o1 ZINC000397913647 411243850 /nfs/dbraw/zinc/24/38/50/411243850.db2.gz FPYAGVZCTNDZNA-GFCCVEGCSA-N 0 3 244.338 3.094 20 0 BGADHN Cc1ncc(CN[C@@H](C)CCc2ccccc2)o1 ZINC000397913649 398124594 /nfs/dbraw/zinc/12/45/94/398124594.db2.gz FPYAGVZCTNDZNA-LBPRGKRZSA-N 0 3 244.338 3.094 20 0 BGADHN Cc1ncc(CN[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)o1 ZINC000397913759 488170639 /nfs/dbraw/zinc/17/06/39/488170639.db2.gz JAZYUQDIYNYRPM-BFHYXJOUSA-N 0 3 248.370 3.432 20 0 BGADHN Cc1ncc(CN[C@@H]2CC[C@H]3CCCC[C@H]3C2)o1 ZINC000397913760 488170544 /nfs/dbraw/zinc/17/05/44/488170544.db2.gz JAZYUQDIYNYRPM-HZSPNIEDSA-N 0 3 248.370 3.432 20 0 BGADHN Cc1ncc(CN[C@@H]2CC[C@@H]3CCCC[C@H]3C2)o1 ZINC000397913761 488170776 /nfs/dbraw/zinc/17/07/76/488170776.db2.gz JAZYUQDIYNYRPM-MELADBBJSA-N 0 3 248.370 3.432 20 0 BGADHN Cc1ncc(CN[C@@H]2CC[C@H]3CCCC[C@@H]3C2)o1 ZINC000397913762 488170826 /nfs/dbraw/zinc/17/08/26/488170826.db2.gz JAZYUQDIYNYRPM-MGPQQGTHSA-N 0 3 248.370 3.432 20 0 BGADHN CC1(C)CCC[C@@H](NCc2cocn2)CC1 ZINC000397916301 488171081 /nfs/dbraw/zinc/17/10/81/488171081.db2.gz DRPIIJPRQGMBCA-LLVKDONJSA-N 0 3 222.332 3.123 20 0 BGADHN CC1(C)CCC[C@H](NCc2cocn2)CC1 ZINC000397916302 488170791 /nfs/dbraw/zinc/17/07/91/488170791.db2.gz DRPIIJPRQGMBCA-NSHDSACASA-N 0 3 222.332 3.123 20 0 BGADHN CCCC[C@@H](CC)NCc1cnc(C)o1 ZINC000397917930 262940626 /nfs/dbraw/zinc/94/06/26/262940626.db2.gz LRKASWATOGKRJU-LLVKDONJSA-N 0 3 210.321 3.041 20 0 BGADHN CCCC[C@H](CC)NCc1cnc(C)o1 ZINC000397917932 262940620 /nfs/dbraw/zinc/94/06/20/262940620.db2.gz LRKASWATOGKRJU-NSHDSACASA-N 0 3 210.321 3.041 20 0 BGADHN CCCC(CCC)NCc1cnc(C)o1 ZINC000397918403 398124432 /nfs/dbraw/zinc/12/44/32/398124432.db2.gz MDJPPBOYDVITDX-UHFFFAOYSA-N 0 3 210.321 3.041 20 0 BGADHN Cc1ncc(CNCC[C@@H](C)c2ccccc2)o1 ZINC000397920420 398124374 /nfs/dbraw/zinc/12/43/74/398124374.db2.gz KHAHJOBGNSRKPM-GFCCVEGCSA-N 0 3 244.338 3.266 20 0 BGADHN Cc1ncc(CNCC[C@H](C)c2ccccc2)o1 ZINC000397920422 398124615 /nfs/dbraw/zinc/12/46/15/398124615.db2.gz KHAHJOBGNSRKPM-LBPRGKRZSA-N 0 3 244.338 3.266 20 0 BGADHN CCCC[C@@H](CC)NCc1conc1C ZINC000397923917 362955567 /nfs/dbraw/zinc/95/55/67/362955567.db2.gz RKELMILPZKXESX-GFCCVEGCSA-N 0 3 210.321 3.041 20 0 BGADHN CCCC[C@H](CC)NCc1conc1C ZINC000397923919 362955831 /nfs/dbraw/zinc/95/58/31/362955831.db2.gz RKELMILPZKXESX-LBPRGKRZSA-N 0 3 210.321 3.041 20 0 BGADHN CC[C@H](C)C[C@H](CC)NCc1conc1C ZINC000397925377 350635899 /nfs/dbraw/zinc/63/58/99/350635899.db2.gz RYCBEUMZGBCOIX-GWCFXTLKSA-N 0 3 224.348 3.287 20 0 BGADHN CC[C@H](C[C@@H](C)CC)NCc1conc1C ZINC000397925378 362955663 /nfs/dbraw/zinc/95/56/63/362955663.db2.gz RYCBEUMZGBCOIX-GXFFZTMASA-N 0 3 224.348 3.287 20 0 BGADHN CC[C@@H](C)C[C@H](CC)NCc1conc1C ZINC000397925379 362955724 /nfs/dbraw/zinc/95/57/24/362955724.db2.gz RYCBEUMZGBCOIX-MFKMUULPSA-N 0 3 224.348 3.287 20 0 BGADHN CC[C@@H](C)C[C@@H](CC)NCc1conc1C ZINC000397925380 350635506 /nfs/dbraw/zinc/63/55/06/350635506.db2.gz RYCBEUMZGBCOIX-ZWNOBZJWSA-N 0 3 224.348 3.287 20 0 BGADHN Cc1ncc(CNC[C@@H]2CC(C)=C[C@H](C)C2)o1 ZINC000397927918 388511805 /nfs/dbraw/zinc/51/18/05/388511805.db2.gz CFAIMBZSBFWOGH-GWCFXTLKSA-N 0 3 234.343 3.065 20 0 BGADHN Cc1ncc(CNC[C@H]2CC(C)=C[C@H](C)C2)o1 ZINC000397927921 388511944 /nfs/dbraw/zinc/51/19/44/388511944.db2.gz CFAIMBZSBFWOGH-GXFFZTMASA-N 0 3 234.343 3.065 20 0 BGADHN Cc1ncc(CNC[C@@H]2CC(C)=C[C@@H](C)C2)o1 ZINC000397927923 388511547 /nfs/dbraw/zinc/51/15/47/388511547.db2.gz CFAIMBZSBFWOGH-MFKMUULPSA-N 0 3 234.343 3.065 20 0 BGADHN Cc1ncc(CNC[C@H]2CC(C)=C[C@@H](C)C2)o1 ZINC000397927927 388512072 /nfs/dbraw/zinc/51/20/72/388512072.db2.gz CFAIMBZSBFWOGH-ZWNOBZJWSA-N 0 3 234.343 3.065 20 0 BGADHN CCCC[C@@H](CC)CNCc1cnc(C)o1 ZINC000397931585 362962623 /nfs/dbraw/zinc/96/26/23/362962623.db2.gz UYXCRFWOYWKMCC-GFCCVEGCSA-N 0 3 224.348 3.289 20 0 BGADHN CCCC[C@H](CC)CNCc1cnc(C)o1 ZINC000397931588 362962380 /nfs/dbraw/zinc/96/23/80/362962380.db2.gz UYXCRFWOYWKMCC-LBPRGKRZSA-N 0 3 224.348 3.289 20 0 BGADHN Cc1ncc(CNC(C2CCC2)C2CCC2)o1 ZINC000397931742 388511702 /nfs/dbraw/zinc/51/17/02/388511702.db2.gz FJUGTBLXOZPHDW-UHFFFAOYSA-N 0 3 234.343 3.041 20 0 BGADHN Cc1nocc1CN[C@@H]1CCCC12CCCC2 ZINC000397937570 362962614 /nfs/dbraw/zinc/96/26/14/362962614.db2.gz YGJJSYFJEGNFKO-CYBMUJFWSA-N 0 3 234.343 3.186 20 0 BGADHN Cc1nocc1CN[C@H]1CCCC12CCCC2 ZINC000397937572 362961861 /nfs/dbraw/zinc/96/18/61/362961861.db2.gz YGJJSYFJEGNFKO-ZDUSSCGKSA-N 0 3 234.343 3.186 20 0 BGADHN Cc1ncc(CN[C@@H]2CCC[C@@H](C3CC3)C2)o1 ZINC000397938923 388511993 /nfs/dbraw/zinc/51/19/93/388511993.db2.gz IUGZWZFPKBGLIX-CHWSQXEVSA-N 0 3 234.343 3.041 20 0 BGADHN Cc1ncc(CN[C@H]2CCC[C@@H](C3CC3)C2)o1 ZINC000397938924 388512242 /nfs/dbraw/zinc/51/22/42/388512242.db2.gz IUGZWZFPKBGLIX-OLZOCXBDSA-N 0 3 234.343 3.041 20 0 BGADHN Cc1ncc(CN[C@@H]2CCC[C@H](C3CC3)C2)o1 ZINC000397938925 388512160 /nfs/dbraw/zinc/51/21/60/388512160.db2.gz IUGZWZFPKBGLIX-QWHCGFSZSA-N 0 3 234.343 3.041 20 0 BGADHN Cc1ncc(CN[C@H]2CCC[C@H](C3CC3)C2)o1 ZINC000397938926 388511920 /nfs/dbraw/zinc/51/19/20/388511920.db2.gz IUGZWZFPKBGLIX-STQMWFEESA-N 0 3 234.343 3.041 20 0 BGADHN Cc1nocc1CNC[C@@H]1CC(C)=C[C@H](C)C1 ZINC000397939605 362961917 /nfs/dbraw/zinc/96/19/17/362961917.db2.gz ZEHMPRMKOASBMQ-GWCFXTLKSA-N 0 3 234.343 3.065 20 0 BGADHN Cc1nocc1CNC[C@H]1CC(C)=C[C@H](C)C1 ZINC000397939607 362962053 /nfs/dbraw/zinc/96/20/53/362962053.db2.gz ZEHMPRMKOASBMQ-GXFFZTMASA-N 0 3 234.343 3.065 20 0 BGADHN Cc1nocc1CNC[C@@H]1CC(C)=C[C@@H](C)C1 ZINC000397939609 362961933 /nfs/dbraw/zinc/96/19/33/362961933.db2.gz ZEHMPRMKOASBMQ-MFKMUULPSA-N 0 3 234.343 3.065 20 0 BGADHN Cc1nocc1CNC[C@H]1CC(C)=C[C@@H](C)C1 ZINC000397939611 362962148 /nfs/dbraw/zinc/96/21/48/362962148.db2.gz ZEHMPRMKOASBMQ-ZWNOBZJWSA-N 0 3 234.343 3.065 20 0 BGADHN CCCC(CCC)NCc1conc1C ZINC000397942408 362972740 /nfs/dbraw/zinc/97/27/40/362972740.db2.gz ZGGBFYNRXKVEPD-UHFFFAOYSA-N 0 3 210.321 3.041 20 0 BGADHN CC[C@@H]1CCC[C@H](NCc2cocn2)CC1 ZINC000397954409 488174796 /nfs/dbraw/zinc/17/47/96/488174796.db2.gz YPMDYGPJQUHHTA-NEPJUHHUSA-N 0 3 222.332 3.123 20 0 BGADHN CC[C@H]1CCC[C@@H](NCc2cocn2)CC1 ZINC000397954410 488174889 /nfs/dbraw/zinc/17/48/89/488174889.db2.gz YPMDYGPJQUHHTA-NWDGAFQWSA-N 0 3 222.332 3.123 20 0 BGADHN CC[C@H]1CCC[C@H](NCc2cocn2)CC1 ZINC000397954412 488174711 /nfs/dbraw/zinc/17/47/11/488174711.db2.gz YPMDYGPJQUHHTA-RYUDHWBXSA-N 0 3 222.332 3.123 20 0 BGADHN CC[C@@H]1CCC[C@@H](NCc2cocn2)CC1 ZINC000397954413 488174676 /nfs/dbraw/zinc/17/46/76/488174676.db2.gz YPMDYGPJQUHHTA-VXGBXAGGSA-N 0 3 222.332 3.123 20 0 BGADHN c1nc(CNC2CCC3(CCCC3)CC2)co1 ZINC000397954504 583113644 /nfs/dbraw/zinc/11/36/44/583113644.db2.gz DLBPCDJAGUGZFH-UHFFFAOYSA-N 0 3 234.343 3.267 20 0 BGADHN Cc1ncc(CNC2CC(c3ccccc3)C2)o1 ZINC000397964523 388513853 /nfs/dbraw/zinc/51/38/53/388513853.db2.gz WRBPIVMFKGTPMR-UHFFFAOYSA-N 0 3 242.322 3.019 20 0 BGADHN Cc1nocc1CNCCC1CCCCCC1 ZINC000397986765 362981064 /nfs/dbraw/zinc/98/10/64/362981064.db2.gz KPCALNDLZWCGPG-UHFFFAOYSA-N 0 3 236.359 3.433 20 0 BGADHN Cc1ncc(CNCCCCc2ccccc2)o1 ZINC000397994002 362983642 /nfs/dbraw/zinc/98/36/42/362983642.db2.gz QUKJICBMLVZZHR-UHFFFAOYSA-N 0 3 244.338 3.096 20 0 BGADHN Cc1nocc1CN[C@@H](C)[C@@H]1CC2CCC1CC2 ZINC000398012932 488184266 /nfs/dbraw/zinc/18/42/66/488184266.db2.gz MTWWUGKSVHDQBC-CLTVBZQCSA-N 0 3 248.370 3.287 20 0 BGADHN Cc1nocc1CN[C@@H](C)[C@H]1CC2CCC1CC2 ZINC000398012933 488183672 /nfs/dbraw/zinc/18/36/72/488183672.db2.gz MTWWUGKSVHDQBC-LFUGVXIPSA-N 0 3 248.370 3.287 20 0 BGADHN Cc1nocc1CN[C@H](C)[C@@H]1CC2CCC1CC2 ZINC000398012934 488184031 /nfs/dbraw/zinc/18/40/31/488184031.db2.gz MTWWUGKSVHDQBC-LPXQKFACSA-N 0 3 248.370 3.287 20 0 BGADHN Cc1nocc1CN[C@H](C)[C@H]1CC2CCC1CC2 ZINC000398012935 488184011 /nfs/dbraw/zinc/18/40/11/488184011.db2.gz MTWWUGKSVHDQBC-XZNOPERXSA-N 0 3 248.370 3.287 20 0 BGADHN COc1cc(C)nc(CNC(C)(C)C2CCC2)c1 ZINC000398017645 322822535 /nfs/dbraw/zinc/82/25/35/322822535.db2.gz AHGNJQWEYVXKBY-UHFFFAOYSA-N 0 3 248.370 3.067 20 0 BGADHN COCc1ccc(CNC(C)(C)C2CCC2)o1 ZINC000398019663 388514364 /nfs/dbraw/zinc/51/43/64/388514364.db2.gz CCPWLTLECUPSAB-UHFFFAOYSA-N 0 3 237.343 3.094 20 0 BGADHN CC(C)([NH2+]Cc1ccc([O-])c(F)c1)C1CCC1 ZINC000398023587 711399558 /nfs/dbraw/zinc/39/95/58/711399558.db2.gz FRSVABRLLFLEBV-UHFFFAOYSA-N 0 3 237.318 3.200 20 0 BGADHN CCC[C@@H](NCc1cnc(C)o1)[C@H]1CC1(C)C ZINC000398025427 388514885 /nfs/dbraw/zinc/51/48/85/388514885.db2.gz YCQFFFMAASHFNO-CHWSQXEVSA-N 0 3 236.359 3.287 20 0 BGADHN CCC[C@H](NCc1cnc(C)o1)[C@H]1CC1(C)C ZINC000398025430 262942199 /nfs/dbraw/zinc/94/21/99/262942199.db2.gz YCQFFFMAASHFNO-OLZOCXBDSA-N 0 3 236.359 3.287 20 0 BGADHN CCC[C@@H](NCc1cnc(C)o1)[C@@H]1CC1(C)C ZINC000398025434 388514981 /nfs/dbraw/zinc/51/49/81/388514981.db2.gz YCQFFFMAASHFNO-QWHCGFSZSA-N 0 3 236.359 3.287 20 0 BGADHN CCC[C@H](NCc1cnc(C)o1)[C@@H]1CC1(C)C ZINC000398025440 388514850 /nfs/dbraw/zinc/51/48/50/388514850.db2.gz YCQFFFMAASHFNO-STQMWFEESA-N 0 3 236.359 3.287 20 0 BGADHN CCc1cnc(CNC(C)(C)C2CCC2)s1 ZINC000398032223 388515606 /nfs/dbraw/zinc/51/56/06/388515606.db2.gz KPBRTPNPHAPEDM-UHFFFAOYSA-N 0 3 238.400 3.374 20 0 BGADHN Cc1nocc1CN[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000398043464 410940836 /nfs/dbraw/zinc/94/08/36/410940836.db2.gz AILPAIBYDPACJX-GWCFXTLKSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1nocc1CN[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000398043465 410940997 /nfs/dbraw/zinc/94/09/97/410940997.db2.gz AILPAIBYDPACJX-GXFFZTMASA-N 0 3 236.359 3.287 20 0 BGADHN Cc1nocc1CN[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000398043466 410941050 /nfs/dbraw/zinc/94/10/50/410941050.db2.gz AILPAIBYDPACJX-MFKMUULPSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1nocc1CN[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000398043467 410940036 /nfs/dbraw/zinc/94/00/36/410940036.db2.gz AILPAIBYDPACJX-ZWNOBZJWSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1nocc1CN[C@@H]1CCC[C@H](C(C)C)C1 ZINC000398044647 357830856 /nfs/dbraw/zinc/83/08/56/357830856.db2.gz BCRLBZMCNUHYJY-GXTWGEPZSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1nocc1CN[C@H]1CCC[C@H](C(C)C)C1 ZINC000398044648 357830681 /nfs/dbraw/zinc/83/06/81/357830681.db2.gz BCRLBZMCNUHYJY-JSGCOSHPSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1nocc1CN[C@H]1CCC[C@@H](C(C)C)C1 ZINC000398044649 357831175 /nfs/dbraw/zinc/83/11/75/357831175.db2.gz BCRLBZMCNUHYJY-OCCSQVGLSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1nocc1CN[C@@H]1CCC[C@@H](C(C)C)C1 ZINC000398044650 357831212 /nfs/dbraw/zinc/83/12/12/357831212.db2.gz BCRLBZMCNUHYJY-TZMCWYRMSA-N 0 3 236.359 3.287 20 0 BGADHN CC(C)([NH2+]Cc1cc([O-])cc(F)c1)C1CCC1 ZINC000398048615 388515565 /nfs/dbraw/zinc/51/55/65/388515565.db2.gz VCZDMCZHADGSAD-UHFFFAOYSA-N 0 3 237.318 3.200 20 0 BGADHN CC[C@H]1CCC[C@@H](NCc2conc2C)CC1 ZINC000398048876 362992070 /nfs/dbraw/zinc/99/20/70/362992070.db2.gz DPRCLUFFNQLIOE-GXTWGEPZSA-N 0 3 236.359 3.432 20 0 BGADHN CC[C@H]1CCC[C@H](NCc2conc2C)CC1 ZINC000398048877 362992041 /nfs/dbraw/zinc/99/20/41/362992041.db2.gz DPRCLUFFNQLIOE-JSGCOSHPSA-N 0 3 236.359 3.432 20 0 BGADHN CC[C@@H]1CCC[C@H](NCc2conc2C)CC1 ZINC000398048879 362991862 /nfs/dbraw/zinc/99/18/62/362991862.db2.gz DPRCLUFFNQLIOE-OCCSQVGLSA-N 0 3 236.359 3.432 20 0 BGADHN CC[C@@H]1CCC[C@@H](NCc2conc2C)CC1 ZINC000398048881 362992054 /nfs/dbraw/zinc/99/20/54/362992054.db2.gz DPRCLUFFNQLIOE-TZMCWYRMSA-N 0 3 236.359 3.432 20 0 BGADHN Cc1cnc(CNC(C)(C)C2CCC2)s1 ZINC000398057207 388516606 /nfs/dbraw/zinc/51/66/06/388516606.db2.gz ZGYUIPSFXQMFQO-UHFFFAOYSA-N 0 3 224.373 3.120 20 0 BGADHN CC[C@H](C[C@@H](C)CC)NCc1cnc(C)o1 ZINC000398066158 388516859 /nfs/dbraw/zinc/51/68/59/388516859.db2.gz MEBZSVQQZRTNMR-CMPLNLGQSA-N 0 3 224.348 3.287 20 0 BGADHN CC[C@H](C)C[C@H](CC)NCc1cnc(C)o1 ZINC000398066163 262942655 /nfs/dbraw/zinc/94/26/55/262942655.db2.gz MEBZSVQQZRTNMR-JQWIXIFHSA-N 0 3 224.348 3.287 20 0 BGADHN CC[C@@H](C)C[C@H](CC)NCc1cnc(C)o1 ZINC000398066165 262942797 /nfs/dbraw/zinc/94/27/97/262942797.db2.gz MEBZSVQQZRTNMR-PWSUYJOCSA-N 0 3 224.348 3.287 20 0 BGADHN CC[C@@H](C)C[C@@H](CC)NCc1cnc(C)o1 ZINC000398066170 388516432 /nfs/dbraw/zinc/51/64/32/388516432.db2.gz MEBZSVQQZRTNMR-ZYHUDNBSSA-N 0 3 224.348 3.287 20 0 BGADHN CC(C)(NCc1ccncc1Cl)C1CCC1 ZINC000398074829 343063578 /nfs/dbraw/zinc/06/35/78/343063578.db2.gz BHDUTMZBCWVHID-UHFFFAOYSA-N 0 3 238.762 3.403 20 0 BGADHN Cc1nc(CNC(C)(C)C2CCC2)cs1 ZINC000398083058 384797248 /nfs/dbraw/zinc/79/72/48/384797248.db2.gz SIHCLNSEVJVQJG-UHFFFAOYSA-N 0 3 224.373 3.120 20 0 BGADHN CCCCCC[C@@H](C)NCc1cnc(C)o1 ZINC000398091502 711400877 /nfs/dbraw/zinc/40/08/77/711400877.db2.gz YBZVTCGUOLIIGZ-LLVKDONJSA-N 0 3 224.348 3.432 20 0 BGADHN CCCCCC[C@H](C)NCc1cnc(C)o1 ZINC000398091503 711400938 /nfs/dbraw/zinc/40/09/38/711400938.db2.gz YBZVTCGUOLIIGZ-NSHDSACASA-N 0 3 224.348 3.432 20 0 BGADHN C[C@@H]1CC[C@@H](CNCc2sccc2Cl)O1 ZINC000398091821 384799598 /nfs/dbraw/zinc/79/95/98/384799598.db2.gz ONJZJCWSNJSUDY-BDAKNGLRSA-N 0 3 245.775 3.059 20 0 BGADHN C[C@H]1CC[C@H](CNCc2sccc2Cl)O1 ZINC000398091822 384800972 /nfs/dbraw/zinc/80/09/72/384800972.db2.gz ONJZJCWSNJSUDY-DTWKUNHWSA-N 0 3 245.775 3.059 20 0 BGADHN C[C@H]1CC[C@@H](CNCc2sccc2Cl)O1 ZINC000398091823 384799402 /nfs/dbraw/zinc/79/94/02/384799402.db2.gz ONJZJCWSNJSUDY-IUCAKERBSA-N 0 3 245.775 3.059 20 0 BGADHN C[C@@H]1CC[C@H](CNCc2sccc2Cl)O1 ZINC000398091825 384799069 /nfs/dbraw/zinc/79/90/69/384799069.db2.gz ONJZJCWSNJSUDY-RKDXNWHRSA-N 0 3 245.775 3.059 20 0 BGADHN Cc1ncc(CN[C@@H](C)CCC(C)(C)C)o1 ZINC000398093663 384800396 /nfs/dbraw/zinc/80/03/96/384800396.db2.gz ZBRXZQXNUSDQIC-JTQLQIEISA-N 0 3 224.348 3.287 20 0 BGADHN Cc1ncc(CN[C@H](C)CCC(C)(C)C)o1 ZINC000398093666 384800374 /nfs/dbraw/zinc/80/03/74/384800374.db2.gz ZBRXZQXNUSDQIC-SNVBAGLBSA-N 0 3 224.348 3.287 20 0 BGADHN Cc1ncc(CNCC(C(C)C)C(C)C)o1 ZINC000398095104 384801816 /nfs/dbraw/zinc/80/18/16/384801816.db2.gz ZTFXOOYKIWGXKP-UHFFFAOYSA-N 0 3 224.348 3.001 20 0 BGADHN CC[C@H]1CCCC[C@@H]1NCc1cnc(C)o1 ZINC000398097510 324216908 /nfs/dbraw/zinc/21/69/08/324216908.db2.gz KUNKWXZUMHUGQL-AAEUAGOBSA-N 0 3 222.332 3.041 20 0 BGADHN CC[C@@H]1CCCC[C@H]1NCc1cnc(C)o1 ZINC000398097511 324217131 /nfs/dbraw/zinc/21/71/31/324217131.db2.gz KUNKWXZUMHUGQL-DGCLKSJQSA-N 0 3 222.332 3.041 20 0 BGADHN CC[C@H]1CCCC[C@H]1NCc1cnc(C)o1 ZINC000398097512 324217011 /nfs/dbraw/zinc/21/70/11/324217011.db2.gz KUNKWXZUMHUGQL-WCQYABFASA-N 0 3 222.332 3.041 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1NCc1cnc(C)o1 ZINC000398097513 324216778 /nfs/dbraw/zinc/21/67/78/324216778.db2.gz KUNKWXZUMHUGQL-YPMHNXCESA-N 0 3 222.332 3.041 20 0 BGADHN Cc1csc(CNC(C)(C)C2CCC2)n1 ZINC000398099461 384802731 /nfs/dbraw/zinc/80/27/31/384802731.db2.gz GZNRLWYWAXECTA-UHFFFAOYSA-N 0 3 224.373 3.120 20 0 BGADHN Cc1ncc(CN[C@@H](C)C2CCCCC2)o1 ZINC000398100373 384803419 /nfs/dbraw/zinc/80/34/19/384803419.db2.gz MGMIQXXVXNJGLO-JTQLQIEISA-N 0 3 222.332 3.041 20 0 BGADHN Cc1ncc(CN[C@H](C)C2CCCCC2)o1 ZINC000398100375 384805113 /nfs/dbraw/zinc/80/51/13/384805113.db2.gz MGMIQXXVXNJGLO-SNVBAGLBSA-N 0 3 222.332 3.041 20 0 BGADHN CC[C@@H]1CCC[C@H](NCc2cnc(C)o2)C1 ZINC000398102481 384803563 /nfs/dbraw/zinc/80/35/63/384803563.db2.gz NFEXGWXFBQVJKE-NEPJUHHUSA-N 0 3 222.332 3.041 20 0 BGADHN CC[C@H]1CCC[C@@H](NCc2cnc(C)o2)C1 ZINC000398102482 384803914 /nfs/dbraw/zinc/80/39/14/384803914.db2.gz NFEXGWXFBQVJKE-NWDGAFQWSA-N 0 3 222.332 3.041 20 0 BGADHN CC[C@H]1CCC[C@H](NCc2cnc(C)o2)C1 ZINC000398102483 384804942 /nfs/dbraw/zinc/80/49/42/384804942.db2.gz NFEXGWXFBQVJKE-RYUDHWBXSA-N 0 3 222.332 3.041 20 0 BGADHN CC[C@@H]1CCC[C@@H](NCc2cnc(C)o2)C1 ZINC000398102484 384802608 /nfs/dbraw/zinc/80/26/08/384802608.db2.gz NFEXGWXFBQVJKE-VXGBXAGGSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1cc(CNC[C@H]2CC[C@@H](C)O2)c(C)s1 ZINC000398103723 357837932 /nfs/dbraw/zinc/83/79/32/357837932.db2.gz UUKQQUIVVPHPNW-NOZJJQNGSA-N 0 3 239.384 3.022 20 0 BGADHN Cc1cc(CNC[C@@H]2CC[C@@H](C)O2)c(C)s1 ZINC000398103724 357838022 /nfs/dbraw/zinc/83/80/22/357838022.db2.gz UUKQQUIVVPHPNW-RNCFNFMXSA-N 0 3 239.384 3.022 20 0 BGADHN Cc1cc(CNC[C@H]2CC[C@H](C)O2)c(C)s1 ZINC000398103725 357837316 /nfs/dbraw/zinc/83/73/16/357837316.db2.gz UUKQQUIVVPHPNW-TVQRCGJNSA-N 0 3 239.384 3.022 20 0 BGADHN Cc1cc(CNC[C@@H]2CC[C@H](C)O2)c(C)s1 ZINC000398103726 357837518 /nfs/dbraw/zinc/83/75/18/357837518.db2.gz UUKQQUIVVPHPNW-ZANVPECISA-N 0 3 239.384 3.022 20 0 BGADHN CCC1CCC(NCc2cnc(C)o2)CC1 ZINC000398103877 384803499 /nfs/dbraw/zinc/80/34/99/384803499.db2.gz OAZJZHRWTXZCKW-UHFFFAOYSA-N 0 3 222.332 3.041 20 0 BGADHN CC[C@@H]1CCC[C@@H](CNCc2conc2C)C1 ZINC000398106427 363008206 /nfs/dbraw/zinc/00/82/06/363008206.db2.gz PIQFMSBWVSTZKS-CHWSQXEVSA-N 0 3 236.359 3.289 20 0 BGADHN CC[C@@H]1CCC[C@H](CNCc2conc2C)C1 ZINC000398106428 363008624 /nfs/dbraw/zinc/00/86/24/363008624.db2.gz PIQFMSBWVSTZKS-OLZOCXBDSA-N 0 3 236.359 3.289 20 0 BGADHN CC[C@H]1CCC[C@@H](CNCc2conc2C)C1 ZINC000398106429 363008633 /nfs/dbraw/zinc/00/86/33/363008633.db2.gz PIQFMSBWVSTZKS-QWHCGFSZSA-N 0 3 236.359 3.289 20 0 BGADHN CC[C@H]1CCC[C@H](CNCc2conc2C)C1 ZINC000398106431 363008612 /nfs/dbraw/zinc/00/86/12/363008612.db2.gz PIQFMSBWVSTZKS-STQMWFEESA-N 0 3 236.359 3.289 20 0 BGADHN CC(C)(NCc1ncc(Cl)s1)C1CCC1 ZINC000398113539 384808983 /nfs/dbraw/zinc/80/89/83/384808983.db2.gz OAWNIHNQGPBKSN-UHFFFAOYSA-N 0 3 244.791 3.465 20 0 BGADHN Cc1ncc(CNCCC2CCCCC2)o1 ZINC000398116187 322864568 /nfs/dbraw/zinc/86/45/68/322864568.db2.gz UYBCHFABNGINFD-UHFFFAOYSA-N 0 3 222.332 3.043 20 0 BGADHN Cc1nocc1CNC[C@@H](C)C1CCCCC1 ZINC000398116893 343067922 /nfs/dbraw/zinc/06/79/22/343067922.db2.gz VGEMWZBEEHBJCS-LLVKDONJSA-N 0 3 236.359 3.289 20 0 BGADHN Cc1nocc1CNC[C@H](C)C1CCCCC1 ZINC000398116894 357842624 /nfs/dbraw/zinc/84/26/24/357842624.db2.gz VGEMWZBEEHBJCS-NSHDSACASA-N 0 3 236.359 3.289 20 0 BGADHN CC[C@@H](N[C@@H]1CCCC1(F)F)C1CCC1 ZINC000398121957 410943983 /nfs/dbraw/zinc/94/39/83/410943983.db2.gz QQRQTBVTPNXJKM-GHMZBOCLSA-N 0 3 217.303 3.343 20 0 BGADHN CC[C@@H](N[C@H]1CCCC1(F)F)C1CCC1 ZINC000398121960 410943950 /nfs/dbraw/zinc/94/39/50/410943950.db2.gz QQRQTBVTPNXJKM-MNOVXSKESA-N 0 3 217.303 3.343 20 0 BGADHN CC[C@H](N[C@H]1CCCC1(F)F)C1CCC1 ZINC000398121962 410945117 /nfs/dbraw/zinc/94/51/17/410945117.db2.gz QQRQTBVTPNXJKM-QWRGUYRKSA-N 0 3 217.303 3.343 20 0 BGADHN CC[C@H](N[C@@H]1CCCC1(F)F)C1CCC1 ZINC000398121965 410944897 /nfs/dbraw/zinc/94/48/97/410944897.db2.gz QQRQTBVTPNXJKM-WDEREUQCSA-N 0 3 217.303 3.343 20 0 BGADHN Cc1ncc(CNCC2CCCCCC2)o1 ZINC000398122106 322865357 /nfs/dbraw/zinc/86/53/57/322865357.db2.gz XIFYTSZKTHCYJH-UHFFFAOYSA-N 0 3 222.332 3.043 20 0 BGADHN CC1(C2(NCc3ccccc3F)CC2)CC1 ZINC000398124990 324218103 /nfs/dbraw/zinc/21/81/03/324218103.db2.gz GNCUOBCRSBTTLG-UHFFFAOYSA-N 0 3 219.303 3.248 20 0 BGADHN Cc1nccnc1[C@@H](C)N[C@@H](C)CCC1CC1 ZINC000398131866 322865329 /nfs/dbraw/zinc/86/53/29/322865329.db2.gz FUDGITMTCOFUPG-CMPLNLGQSA-N 0 3 233.359 3.014 20 0 BGADHN Cc1nccnc1[C@H](C)N[C@@H](C)CCC1CC1 ZINC000398131867 322865325 /nfs/dbraw/zinc/86/53/25/322865325.db2.gz FUDGITMTCOFUPG-JQWIXIFHSA-N 0 3 233.359 3.014 20 0 BGADHN Cc1nccnc1[C@H](C)N[C@H](C)CCC1CC1 ZINC000398131868 322865334 /nfs/dbraw/zinc/86/53/34/322865334.db2.gz FUDGITMTCOFUPG-PWSUYJOCSA-N 0 3 233.359 3.014 20 0 BGADHN Cc1nccnc1[C@@H](C)N[C@H](C)CCC1CC1 ZINC000398131869 322865148 /nfs/dbraw/zinc/86/51/48/322865148.db2.gz FUDGITMTCOFUPG-ZYHUDNBSSA-N 0 3 233.359 3.014 20 0 BGADHN C[C@H](CCC1CC1)N[C@H]1C[C@H](C)n2ccnc21 ZINC000398132870 384814589 /nfs/dbraw/zinc/81/45/89/384814589.db2.gz WNHDHPAPDVWTLP-MDZLAQPJSA-N 0 3 233.359 3.057 20 0 BGADHN C[C@H](CCC1CC1)N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000398132872 384814361 /nfs/dbraw/zinc/81/43/61/384814361.db2.gz WNHDHPAPDVWTLP-NQBHXWOUSA-N 0 3 233.359 3.057 20 0 BGADHN C[C@H](CCC1CC1)N[C@@H]1C[C@H](C)n2ccnc21 ZINC000398132875 384814059 /nfs/dbraw/zinc/81/40/59/384814059.db2.gz WNHDHPAPDVWTLP-NTZNESFSSA-N 0 3 233.359 3.057 20 0 BGADHN C[C@H](CCC1CC1)N[C@H]1C[C@@H](C)n2ccnc21 ZINC000398132877 322865363 /nfs/dbraw/zinc/86/53/63/322865363.db2.gz WNHDHPAPDVWTLP-WZRBSPASSA-N 0 3 233.359 3.057 20 0 BGADHN CCc1ccc(CNC2(C3(C)CC3)CC2)o1 ZINC000398141113 322865495 /nfs/dbraw/zinc/86/54/95/322865495.db2.gz QUPICKFOLQWYQP-UHFFFAOYSA-N 0 3 219.328 3.264 20 0 BGADHN CCc1nc(CNC(C)(C)C2CCC2)cs1 ZINC000398145039 343071013 /nfs/dbraw/zinc/07/10/13/343071013.db2.gz CMJDODVJFVZGSV-UHFFFAOYSA-N 0 3 238.400 3.374 20 0 BGADHN CC(C)n1ccc(CN[C@H](C)CCC2CC2)n1 ZINC000398156421 351012243 /nfs/dbraw/zinc/01/22/43/351012243.db2.gz ISFXSHWIMPTMRQ-GFCCVEGCSA-N 0 3 235.375 3.132 20 0 BGADHN CC(C)n1ccc(CN[C@@H](C)CCC2CC2)n1 ZINC000398156422 351012100 /nfs/dbraw/zinc/01/21/00/351012100.db2.gz ISFXSHWIMPTMRQ-LBPRGKRZSA-N 0 3 235.375 3.132 20 0 BGADHN COc1ccc(C)cc1CNC1(C2(C)CC2)CC1 ZINC000398156633 384818781 /nfs/dbraw/zinc/81/87/81/384818781.db2.gz XKLJZMJBIXNJBT-UHFFFAOYSA-N 0 3 245.366 3.426 20 0 BGADHN C[C@@H]1CC[C@H](CNCc2cc(Cl)cs2)O1 ZINC000398157342 388516691 /nfs/dbraw/zinc/51/66/91/388516691.db2.gz JEDPBWMYSPVJNA-PSASIEDQSA-N 0 3 245.775 3.059 20 0 BGADHN C[C@@H]1CC[C@@H](CNCc2cc(Cl)cs2)O1 ZINC000398157346 388517106 /nfs/dbraw/zinc/51/71/06/388517106.db2.gz JEDPBWMYSPVJNA-SCZZXKLOSA-N 0 3 245.775 3.059 20 0 BGADHN C[C@H]1CC[C@H](CNCc2cc(Cl)cs2)O1 ZINC000398157349 388516470 /nfs/dbraw/zinc/51/64/70/388516470.db2.gz JEDPBWMYSPVJNA-WCBMZHEXSA-N 0 3 245.775 3.059 20 0 BGADHN C[C@H]1CC[C@@H](CNCc2cc(Cl)cs2)O1 ZINC000398157353 388516841 /nfs/dbraw/zinc/51/68/41/388516841.db2.gz JEDPBWMYSPVJNA-WPRPVWTQSA-N 0 3 245.775 3.059 20 0 BGADHN C[C@@H](CCC1CC1)NCc1ccncc1Cl ZINC000398168141 357856074 /nfs/dbraw/zinc/85/60/74/357856074.db2.gz STZOEHPBEJXOQM-JTQLQIEISA-N 0 3 238.762 3.403 20 0 BGADHN C[C@H](CCC1CC1)NCc1ccncc1Cl ZINC000398168144 357856115 /nfs/dbraw/zinc/85/61/15/357856115.db2.gz STZOEHPBEJXOQM-SNVBAGLBSA-N 0 3 238.762 3.403 20 0 BGADHN CC[C@H](NC[C@@H]1CC[C@H](C)O1)c1ccsc1 ZINC000398176909 384827405 /nfs/dbraw/zinc/82/74/05/384827405.db2.gz QVLDQTFLQWGLAD-DRZSPHRISA-N 0 3 239.384 3.356 20 0 BGADHN CC[C@H](NC[C@H]1CC[C@@H](C)O1)c1ccsc1 ZINC000398176911 384827509 /nfs/dbraw/zinc/82/75/09/384827509.db2.gz QVLDQTFLQWGLAD-RTXFEEFZSA-N 0 3 239.384 3.356 20 0 BGADHN CC[C@H](NC[C@H]1CC[C@H](C)O1)c1ccsc1 ZINC000398176915 384826254 /nfs/dbraw/zinc/82/62/54/384826254.db2.gz QVLDQTFLQWGLAD-UHTWSYAYSA-N 0 3 239.384 3.356 20 0 BGADHN CC[C@H](NC[C@@H]1CC[C@@H](C)O1)c1ccsc1 ZINC000398176918 384825943 /nfs/dbraw/zinc/82/59/43/384825943.db2.gz QVLDQTFLQWGLAD-WXHSDQCUSA-N 0 3 239.384 3.356 20 0 BGADHN Cc1cc([C@H](C)NC[C@@H]2CC[C@@H](C)O2)cs1 ZINC000398177609 384823807 /nfs/dbraw/zinc/82/38/07/384823807.db2.gz RJTWLRBOHXQPIT-CDMKHQONSA-N 0 3 239.384 3.275 20 0 BGADHN Cc1cc([C@H](C)NC[C@@H]2CC[C@H](C)O2)cs1 ZINC000398177613 384824051 /nfs/dbraw/zinc/82/40/51/384824051.db2.gz RJTWLRBOHXQPIT-GAFUQQFSSA-N 0 3 239.384 3.275 20 0 BGADHN Cc1cc([C@H](C)NC[C@H]2CC[C@@H](C)O2)cs1 ZINC000398177615 384824282 /nfs/dbraw/zinc/82/42/82/384824282.db2.gz RJTWLRBOHXQPIT-SUZMYJTESA-N 0 3 239.384 3.275 20 0 BGADHN Cc1cc([C@H](C)NC[C@H]2CC[C@H](C)O2)cs1 ZINC000398177617 384823000 /nfs/dbraw/zinc/82/30/00/384823000.db2.gz RJTWLRBOHXQPIT-XHVZSJERSA-N 0 3 239.384 3.275 20 0 BGADHN COc1ccc(F)cc1CNC1(C2(C)CC2)CC1 ZINC000398184743 384833485 /nfs/dbraw/zinc/83/34/85/384833485.db2.gz OEAMFWNQRFCMNF-UHFFFAOYSA-N 0 3 249.329 3.257 20 0 BGADHN CC(C)(C)n1cc(CNC2(C3(C)CC3)CC2)cn1 ZINC000398201878 343088195 /nfs/dbraw/zinc/08/81/95/343088195.db2.gz YOUIMQHSQQZMGS-UHFFFAOYSA-N 0 3 247.386 3.060 20 0 BGADHN Cc1nc(C)c(CNC2(C3(C)CC3)CC2)s1 ZINC000398202685 343088024 /nfs/dbraw/zinc/08/80/24/343088024.db2.gz ALPJWNDYUBNHJH-UHFFFAOYSA-N 0 3 236.384 3.182 20 0 BGADHN COc1cccc(CNC2(C3(C)CC3)CC2)c1F ZINC000398203235 410947971 /nfs/dbraw/zinc/94/79/71/410947971.db2.gz AOTWYZVRHKGQBF-UHFFFAOYSA-N 0 3 249.329 3.257 20 0 BGADHN C[C@H]1CC[C@@H](CNCc2coc3ccccc23)O1 ZINC000398207545 343088585 /nfs/dbraw/zinc/08/85/85/343088585.db2.gz HWVWRHOFSCKBOA-AAEUAGOBSA-N 0 3 245.322 3.090 20 0 BGADHN C[C@@H]1CC[C@H](CNCc2coc3ccccc23)O1 ZINC000398207548 343088495 /nfs/dbraw/zinc/08/84/95/343088495.db2.gz HWVWRHOFSCKBOA-DGCLKSJQSA-N 0 3 245.322 3.090 20 0 BGADHN C[C@H]1CC[C@H](CNCc2coc3ccccc23)O1 ZINC000398207552 384842261 /nfs/dbraw/zinc/84/22/61/384842261.db2.gz HWVWRHOFSCKBOA-WCQYABFASA-N 0 3 245.322 3.090 20 0 BGADHN C[C@@H]1CC[C@@H](CNCc2coc3ccccc23)O1 ZINC000398207556 384841433 /nfs/dbraw/zinc/84/14/33/384841433.db2.gz HWVWRHOFSCKBOA-YPMHNXCESA-N 0 3 245.322 3.090 20 0 BGADHN C[C@H]1CC[C@@H](CNCc2cc3ccccc3o2)O1 ZINC000398209576 384846394 /nfs/dbraw/zinc/84/63/94/384846394.db2.gz IXDFAVYDLWLYMK-AAEUAGOBSA-N 0 3 245.322 3.090 20 0 BGADHN C[C@@H]1CC[C@H](CNCc2cc3ccccc3o2)O1 ZINC000398209577 384844151 /nfs/dbraw/zinc/84/41/51/384844151.db2.gz IXDFAVYDLWLYMK-DGCLKSJQSA-N 0 3 245.322 3.090 20 0 BGADHN C[C@H]1CC[C@H](CNCc2cc3ccccc3o2)O1 ZINC000398209579 384844232 /nfs/dbraw/zinc/84/42/32/384844232.db2.gz IXDFAVYDLWLYMK-WCQYABFASA-N 0 3 245.322 3.090 20 0 BGADHN C[C@@H]1CC[C@@H](CNCc2cc3ccccc3o2)O1 ZINC000398209581 322866742 /nfs/dbraw/zinc/86/67/42/322866742.db2.gz IXDFAVYDLWLYMK-YPMHNXCESA-N 0 3 245.322 3.090 20 0 BGADHN COc1ccccc1CNC1(C2(C)CC2)CC1 ZINC000398209857 384846339 /nfs/dbraw/zinc/84/63/39/384846339.db2.gz GFEQIMZMOYBYHK-UHFFFAOYSA-N 0 3 231.339 3.118 20 0 BGADHN CC[C@@H](NCCOC(F)F)c1ccccc1F ZINC000398211150 711405732 /nfs/dbraw/zinc/40/57/32/711405732.db2.gz GZPZFXMKWRSHMU-LLVKDONJSA-N 0 3 247.260 3.106 20 0 BGADHN CC[C@H](NCCOC(F)F)c1ccccc1F ZINC000398211152 711405559 /nfs/dbraw/zinc/40/55/59/711405559.db2.gz GZPZFXMKWRSHMU-NSHDSACASA-N 0 3 247.260 3.106 20 0 BGADHN CC1(C2(NCc3ccncc3Cl)CC2)CC1 ZINC000398211656 357872529 /nfs/dbraw/zinc/87/25/29/357872529.db2.gz HNLBQSRQOGTIAZ-UHFFFAOYSA-N 0 3 236.746 3.157 20 0 BGADHN CC1(C2(NCc3ccc(Cl)o3)CC2)CC1 ZINC000398212352 384844242 /nfs/dbraw/zinc/84/42/42/384844242.db2.gz IDKIFOWZRHDTDY-UHFFFAOYSA-N 0 3 225.719 3.355 20 0 BGADHN CC1(C2(NCc3cccc(F)c3F)CC2)CC1 ZINC000398212847 357874308 /nfs/dbraw/zinc/87/43/08/357874308.db2.gz INSKZCQZBLIELH-UHFFFAOYSA-N 0 3 237.293 3.387 20 0 BGADHN CC1(C2(NCc3ccc(F)c(F)c3)CC2)CC1 ZINC000398213598 384848803 /nfs/dbraw/zinc/84/88/03/384848803.db2.gz JAUKAFULTJGHRO-UHFFFAOYSA-N 0 3 237.293 3.387 20 0 BGADHN COc1cc(F)cc(CNC2(C3(C)CC3)CC2)c1 ZINC000398215455 384847560 /nfs/dbraw/zinc/84/75/60/384847560.db2.gz LAONAYQBWCAAQI-UHFFFAOYSA-N 0 3 249.329 3.257 20 0 BGADHN Cc1nc(CNC2(C3(C)CC3)CC2)sc1C ZINC000398215509 711405211 /nfs/dbraw/zinc/40/52/11/711405211.db2.gz LDFZYUBTQPGOKE-UHFFFAOYSA-N 0 3 236.384 3.182 20 0 BGADHN Cc1occc1CNC1(C2(C)CC2)CC1 ZINC000398219364 384851000 /nfs/dbraw/zinc/85/10/00/384851000.db2.gz NXERNFOWBNPQOQ-UHFFFAOYSA-N 0 3 205.301 3.010 20 0 BGADHN COc1ccc(CNC2(C3(C)CC3)CC2)c(F)c1 ZINC000398220152 357877288 /nfs/dbraw/zinc/87/72/88/357877288.db2.gz OAVDIYAFPXWMMB-UHFFFAOYSA-N 0 3 249.329 3.257 20 0 BGADHN CCc1ncc(CNC2(C3(C)CC3)CC2)s1 ZINC000398224217 384857399 /nfs/dbraw/zinc/85/73/99/384857399.db2.gz RJMWJWLHLBUSJG-UHFFFAOYSA-N 0 3 236.384 3.128 20 0 BGADHN CC1(C2(NCc3cc(F)cc(F)c3)CC2)CC1 ZINC000398224783 384857815 /nfs/dbraw/zinc/85/78/15/384857815.db2.gz RWWCHYWAQIACEO-UHFFFAOYSA-N 0 3 237.293 3.387 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CNC[C@H]2CC[C@@H](C)O2)o1 ZINC000398226790 384858212 /nfs/dbraw/zinc/85/82/12/384858212.db2.gz QMCQTKBNMQXEEW-BYNQJWBRSA-N 0 3 249.354 3.060 20 0 BGADHN C[C@H]1C[C@H]1c1ccc(CNC[C@H]2CC[C@@H](C)O2)o1 ZINC000398226791 384856757 /nfs/dbraw/zinc/85/67/57/384856757.db2.gz QMCQTKBNMQXEEW-FMCLSXCISA-N 0 3 249.354 3.060 20 0 BGADHN C[C@@H]1C[C@H]1c1ccc(CNC[C@H]2CC[C@@H](C)O2)o1 ZINC000398226792 384859093 /nfs/dbraw/zinc/85/90/93/384859093.db2.gz QMCQTKBNMQXEEW-HKUMRIAESA-N 0 3 249.354 3.060 20 0 BGADHN C[C@H]1C[C@@H]1c1ccc(CNC[C@H]2CC[C@@H](C)O2)o1 ZINC000398226793 384858174 /nfs/dbraw/zinc/85/81/74/384858174.db2.gz QMCQTKBNMQXEEW-SFTQSGBHSA-N 0 3 249.354 3.060 20 0 BGADHN CC1(C2(NCc3cc(F)ccc3F)CC2)CC1 ZINC000398229788 384859105 /nfs/dbraw/zinc/85/91/05/384859105.db2.gz XXVIAXQFQBZSLR-UHFFFAOYSA-N 0 3 237.293 3.387 20 0 BGADHN CC1(C2(NCc3ccc(F)cc3F)CC2)CC1 ZINC000398231520 357868479 /nfs/dbraw/zinc/86/84/79/357868479.db2.gz ZOZVJJMDOGCNNP-UHFFFAOYSA-N 0 3 237.293 3.387 20 0 BGADHN CC(C)(NCc1cn2ccccc2n1)C1CCC1 ZINC000398234002 397986357 /nfs/dbraw/zinc/98/63/57/397986357.db2.gz VBEDATTYMUUMQU-UHFFFAOYSA-N 0 3 243.354 3.003 20 0 BGADHN CC1(C2(NCc3ccsc3)CC2)CC1 ZINC000398251902 322867764 /nfs/dbraw/zinc/86/77/64/322867764.db2.gz NFALZAISUICCOL-UHFFFAOYSA-N 0 3 207.342 3.170 20 0 BGADHN Cc1ccoc1CNC1(C2(C)CC2)CC1 ZINC000398255519 384867822 /nfs/dbraw/zinc/86/78/22/384867822.db2.gz QCNSFYBTDNXIEH-UHFFFAOYSA-N 0 3 205.301 3.010 20 0 BGADHN COc1ccc(CNC2(C3(C)CC3)CC2)cc1F ZINC000398265196 322868361 /nfs/dbraw/zinc/86/83/61/322868361.db2.gz VXNQVDHAKZPJEC-UHFFFAOYSA-N 0 3 249.329 3.257 20 0 BGADHN Cc1ccc(CNC2(C3(C)CC3)CC2)o1 ZINC000398268808 384873007 /nfs/dbraw/zinc/87/30/07/384873007.db2.gz XYLVJVRTJZVEMN-UHFFFAOYSA-N 0 3 205.301 3.010 20 0 BGADHN CCc1ccc(CN[C@@]2(C)CC=CCC2)o1 ZINC000398269978 322868541 /nfs/dbraw/zinc/86/85/41/322868541.db2.gz ZUIPYAAOGWPSOD-AWEZNQCLSA-N 0 3 219.328 3.430 20 0 BGADHN CCc1ccc(CN[C@]2(C)CC=CCC2)o1 ZINC000398269979 322868545 /nfs/dbraw/zinc/86/85/45/322868545.db2.gz ZUIPYAAOGWPSOD-CQSZACIVSA-N 0 3 219.328 3.430 20 0 BGADHN C[C@H](NC1[C@H](C)CCC[C@H]1C)c1csnn1 ZINC000398270448 384877889 /nfs/dbraw/zinc/87/78/89/384877889.db2.gz AVLPILNIZOFJTB-BBBLOLIVSA-N 0 3 239.388 3.013 20 0 BGADHN C[C@H](NC1[C@@H](C)CCC[C@@H]1C)c1csnn1 ZINC000398270450 384877726 /nfs/dbraw/zinc/87/77/26/384877726.db2.gz AVLPILNIZOFJTB-GUBZILKMSA-N 0 3 239.388 3.013 20 0 BGADHN C[C@@H](N[C@H]1[C@H](C)CCC[C@@H]1C)c1csnn1 ZINC000398270451 384877190 /nfs/dbraw/zinc/87/71/90/384877190.db2.gz AVLPILNIZOFJTB-KLBPJQLPSA-N 0 3 239.388 3.013 20 0 BGADHN C[C@H](N[C@H]1[C@H](C)CCC[C@@H]1C)c1csnn1 ZINC000398270454 384877527 /nfs/dbraw/zinc/87/75/27/384877527.db2.gz AVLPILNIZOFJTB-MIZYBKAJSA-N 0 3 239.388 3.013 20 0 BGADHN C[C@]1([NH2+]Cc2cc([O-])cc(F)c2)CC=CCC1 ZINC000398288334 384891668 /nfs/dbraw/zinc/89/16/68/384891668.db2.gz BBGHOTWBPZLSDL-AWEZNQCLSA-N 0 3 235.302 3.120 20 0 BGADHN C[C@@]1([NH2+]Cc2cc([O-])cc(F)c2)CC=CCC1 ZINC000398288335 384890617 /nfs/dbraw/zinc/89/06/17/384890617.db2.gz BBGHOTWBPZLSDL-CQSZACIVSA-N 0 3 235.302 3.120 20 0 BGADHN Cc1ccoc1CN[C@]1(C)CC=CCC1 ZINC000398299753 384894413 /nfs/dbraw/zinc/89/44/13/384894413.db2.gz UCSVWSCGRWRYTD-CYBMUJFWSA-N 0 3 205.301 3.176 20 0 BGADHN Cc1ccoc1CN[C@@]1(C)CC=CCC1 ZINC000398299754 384893629 /nfs/dbraw/zinc/89/36/29/384893629.db2.gz UCSVWSCGRWRYTD-ZDUSSCGKSA-N 0 3 205.301 3.176 20 0 BGADHN Cc1ccc(CN[C@]2(C)CC=CCC2)o1 ZINC000398301921 384898035 /nfs/dbraw/zinc/89/80/35/384898035.db2.gz VIRNTMZKGLIYAY-CYBMUJFWSA-N 0 3 205.301 3.176 20 0 BGADHN Cc1ccc(CN[C@@]2(C)CC=CCC2)o1 ZINC000398302427 384900343 /nfs/dbraw/zinc/90/03/43/384900343.db2.gz VIRNTMZKGLIYAY-ZDUSSCGKSA-N 0 3 205.301 3.176 20 0 BGADHN C[C@@H](NCCOC(F)F)c1ccccc1Cl ZINC000398308724 711408258 /nfs/dbraw/zinc/40/82/58/711408258.db2.gz OHAHOLXXKJWZFJ-MRVPVSSYSA-N 0 3 249.688 3.230 20 0 BGADHN C[C@H](NCCOC(F)F)c1ccccc1Cl ZINC000398308726 711709964 /nfs/dbraw/zinc/70/99/64/711709964.db2.gz OHAHOLXXKJWZFJ-QMMMGPOBSA-N 0 3 249.688 3.230 20 0 BGADHN COc1cccc(CN[C@@]2(C)CC=CCC2)c1F ZINC000398312704 488215291 /nfs/dbraw/zinc/21/52/91/488215291.db2.gz BUGXWCUSFIEAOC-HNNXBMFYSA-N 0 3 249.329 3.423 20 0 BGADHN COc1cccc(CN[C@]2(C)CC=CCC2)c1F ZINC000398312709 488215367 /nfs/dbraw/zinc/21/53/67/488215367.db2.gz BUGXWCUSFIEAOC-OAHLLOKOSA-N 0 3 249.329 3.423 20 0 BGADHN CCc1cnc(CN[C@]2(C)CC=CCC2)s1 ZINC000398314371 384438915 /nfs/dbraw/zinc/43/89/15/384438915.db2.gz DFIABSHCWGSYKG-CYBMUJFWSA-N 0 3 236.384 3.294 20 0 BGADHN CCc1cnc(CN[C@@]2(C)CC=CCC2)s1 ZINC000398314372 384438370 /nfs/dbraw/zinc/43/83/70/384438370.db2.gz DFIABSHCWGSYKG-ZDUSSCGKSA-N 0 3 236.384 3.294 20 0 BGADHN COc1ccc(F)cc1CN[C@@]1(C)CC=CCC1 ZINC000398327457 384743101 /nfs/dbraw/zinc/74/31/01/384743101.db2.gz JMVKSXHYESOQJO-HNNXBMFYSA-N 0 3 249.329 3.423 20 0 BGADHN COc1ccc(F)cc1CN[C@]1(C)CC=CCC1 ZINC000398327458 384742190 /nfs/dbraw/zinc/74/21/90/384742190.db2.gz JMVKSXHYESOQJO-OAHLLOKOSA-N 0 3 249.329 3.423 20 0 BGADHN C[C@]1([NH2+]Cc2ccc([O-])c(F)c2)CC=CCC1 ZINC000398328157 711408107 /nfs/dbraw/zinc/40/81/07/711408107.db2.gz LTQAPDNAOKIWSS-AWEZNQCLSA-N 0 3 235.302 3.120 20 0 BGADHN C[C@@]1([NH2+]Cc2ccc([O-])c(F)c2)CC=CCC1 ZINC000398328162 711408401 /nfs/dbraw/zinc/40/84/01/711408401.db2.gz LTQAPDNAOKIWSS-CQSZACIVSA-N 0 3 235.302 3.120 20 0 BGADHN COc1ccc(CN[C@@]2(C)CC=CCC2)c(F)c1 ZINC000398328444 357883627 /nfs/dbraw/zinc/88/36/27/357883627.db2.gz KBCHREUYBYGWIC-HNNXBMFYSA-N 0 3 249.329 3.423 20 0 BGADHN COc1ccc(CN[C@]2(C)CC=CCC2)c(F)c1 ZINC000398328445 357883519 /nfs/dbraw/zinc/88/35/19/357883519.db2.gz KBCHREUYBYGWIC-OAHLLOKOSA-N 0 3 249.329 3.423 20 0 BGADHN C[C@@]1(NCc2ccncc2Cl)CC=CCC1 ZINC000398383056 357884163 /nfs/dbraw/zinc/88/41/63/357884163.db2.gz NYTRDBJLMXHESO-CYBMUJFWSA-N 0 3 236.746 3.323 20 0 BGADHN C[C@]1(NCc2ccncc2Cl)CC=CCC1 ZINC000398383058 357884563 /nfs/dbraw/zinc/88/45/63/357884563.db2.gz NYTRDBJLMXHESO-ZDUSSCGKSA-N 0 3 236.746 3.323 20 0 BGADHN COCc1ccc(CN[C@@]2(C)CC=CCC2)o1 ZINC000398393229 386821298 /nfs/dbraw/zinc/82/12/98/386821298.db2.gz RSOHFOHWTVUHRG-AWEZNQCLSA-N 0 3 235.327 3.014 20 0 BGADHN COCc1ccc(CN[C@]2(C)CC=CCC2)o1 ZINC000398393230 386821188 /nfs/dbraw/zinc/82/11/88/386821188.db2.gz RSOHFOHWTVUHRG-CQSZACIVSA-N 0 3 235.327 3.014 20 0 BGADHN C[C@H](CCCCO)NCc1ccsc1Cl ZINC000398447655 262761688 /nfs/dbraw/zinc/76/16/88/262761688.db2.gz SDSXALHKBLIYAG-SECBINFHSA-N 0 3 247.791 3.042 20 0 BGADHN C[C@@H](CCCCO)NCc1ccsc1Cl ZINC000398447657 386826472 /nfs/dbraw/zinc/82/64/72/386826472.db2.gz SDSXALHKBLIYAG-VIFPVBQESA-N 0 3 247.791 3.042 20 0 BGADHN C[C@H](CCCCO)NCc1sccc1Cl ZINC000398448613 386826947 /nfs/dbraw/zinc/82/69/47/386826947.db2.gz SQGUDNCDKVUMHH-SECBINFHSA-N 0 3 247.791 3.042 20 0 BGADHN C[C@@H](CCCCO)NCc1sccc1Cl ZINC000398448614 386825521 /nfs/dbraw/zinc/82/55/21/386825521.db2.gz SQGUDNCDKVUMHH-VIFPVBQESA-N 0 3 247.791 3.042 20 0 BGADHN CCc1nc(CN[C@]2(C)CC=CCC2)cs1 ZINC000398500761 411215469 /nfs/dbraw/zinc/21/54/69/411215469.db2.gz ZMJTUCICIUARLD-CYBMUJFWSA-N 0 3 236.384 3.294 20 0 BGADHN CCc1nc(CN[C@@]2(C)CC=CCC2)cs1 ZINC000398500763 411215152 /nfs/dbraw/zinc/21/51/52/411215152.db2.gz ZMJTUCICIUARLD-ZDUSSCGKSA-N 0 3 236.384 3.294 20 0 BGADHN Cc1cc(F)c(CNCC(C)C)c(F)c1 ZINC000398509866 386834391 /nfs/dbraw/zinc/83/43/91/386834391.db2.gz MACAEIZBGMDCAB-UHFFFAOYSA-N 0 3 213.271 3.019 20 0 BGADHN CC[C@H](O)CCCN[C@@H](C)c1cc(C)oc1C ZINC000398545115 583137784 /nfs/dbraw/zinc/13/77/84/583137784.db2.gz DSSSRVNENRXKFQ-AAEUAGOBSA-N 0 3 239.359 3.098 20 0 BGADHN CC[C@@H](O)CCCN[C@H](C)c1cc(C)oc1C ZINC000398545116 583137848 /nfs/dbraw/zinc/13/78/48/583137848.db2.gz DSSSRVNENRXKFQ-DGCLKSJQSA-N 0 3 239.359 3.098 20 0 BGADHN CC[C@@H](O)CCCN[C@@H](C)c1cc(C)oc1C ZINC000398545117 583137836 /nfs/dbraw/zinc/13/78/36/583137836.db2.gz DSSSRVNENRXKFQ-WCQYABFASA-N 0 3 239.359 3.098 20 0 BGADHN CC[C@H](O)CCCN[C@H](C)c1cc(C)oc1C ZINC000398545118 583137820 /nfs/dbraw/zinc/13/78/20/583137820.db2.gz DSSSRVNENRXKFQ-YPMHNXCESA-N 0 3 239.359 3.098 20 0 BGADHN Cc1noc(C)c1[C@@H](C)NCCC1CCC1 ZINC000398599737 488220624 /nfs/dbraw/zinc/22/06/24/488220624.db2.gz AFGJDRFEULJVRT-SECBINFHSA-N 0 3 222.332 3.132 20 0 BGADHN Cc1noc(C)c1[C@H](C)NCCC1CCC1 ZINC000398600007 488220725 /nfs/dbraw/zinc/22/07/25/488220725.db2.gz AFGJDRFEULJVRT-VIFPVBQESA-N 0 3 222.332 3.132 20 0 BGADHN Cc1cnc([C@H](C)NCCC2CCC2)s1 ZINC000398641702 488221569 /nfs/dbraw/zinc/22/15/69/488221569.db2.gz AJMMRPOHROCENR-JTQLQIEISA-N 0 3 224.373 3.292 20 0 BGADHN Cc1cnc([C@@H](C)NCCC2CCC2)s1 ZINC000398641703 488221788 /nfs/dbraw/zinc/22/17/88/488221788.db2.gz AJMMRPOHROCENR-SNVBAGLBSA-N 0 3 224.373 3.292 20 0 BGADHN Cc1csc([C@H](C)NCCC2CCC2)n1 ZINC000398774450 488223463 /nfs/dbraw/zinc/22/34/63/488223463.db2.gz FOHCDKXPTLRBQX-JTQLQIEISA-N 0 3 224.373 3.292 20 0 BGADHN Cc1csc([C@@H](C)NCCC2CCC2)n1 ZINC000398774451 488223663 /nfs/dbraw/zinc/22/36/63/488223663.db2.gz FOHCDKXPTLRBQX-SNVBAGLBSA-N 0 3 224.373 3.292 20 0 BGADHN CC[C@@H](NCCC1CCC1)c1nccs1 ZINC000398784124 488168292 /nfs/dbraw/zinc/16/82/92/488168292.db2.gz IGEGSSJJNNKSQE-LLVKDONJSA-N 0 3 224.373 3.374 20 0 BGADHN CC[C@H](NCCC1CCC1)c1nccs1 ZINC000398784126 488224590 /nfs/dbraw/zinc/22/45/90/488224590.db2.gz IGEGSSJJNNKSQE-NSHDSACASA-N 0 3 224.373 3.374 20 0 BGADHN CC(C)(NCCC1CCC1)c1nccs1 ZINC000398833399 488224615 /nfs/dbraw/zinc/22/46/15/488224615.db2.gz YMEKEZIGMNLUMT-UHFFFAOYSA-N 0 3 224.373 3.158 20 0 BGADHN O=C(CCCN1C2CCC1CC2)c1ccccc1 ZINC000398990444 411006949 /nfs/dbraw/zinc/00/69/49/411006949.db2.gz GELXBRZCUKLCRC-UHFFFAOYSA-N 0 3 243.350 3.276 20 0 BGADHN COc1cc(CNCCCC(C)(C)C)sn1 ZINC000399060590 364758601 /nfs/dbraw/zinc/75/86/01/364758601.db2.gz OGNARMVAPRBYST-UHFFFAOYSA-N 0 3 242.388 3.068 20 0 BGADHN CC[C@@H](C)C[C@@H](C)NCc1cc(OC)ns1 ZINC000399112028 366502731 /nfs/dbraw/zinc/50/27/31/366502731.db2.gz IPUCMKRGOJECDX-NXEZZACHSA-N 0 3 242.388 3.066 20 0 BGADHN CC[C@H](C)C[C@H](C)NCc1cc(OC)ns1 ZINC000399112032 366502641 /nfs/dbraw/zinc/50/26/41/366502641.db2.gz IPUCMKRGOJECDX-UWVGGRQHSA-N 0 3 242.388 3.066 20 0 BGADHN CC[C@H](C)C[C@@H](C)NCc1cc(OC)ns1 ZINC000399112035 366503954 /nfs/dbraw/zinc/50/39/54/366503954.db2.gz IPUCMKRGOJECDX-VHSXEESVSA-N 0 3 242.388 3.066 20 0 BGADHN CC[C@@H](C)C[C@H](C)NCc1cc(OC)ns1 ZINC000399112038 366503668 /nfs/dbraw/zinc/50/36/68/366503668.db2.gz IPUCMKRGOJECDX-ZJUUUORDSA-N 0 3 242.388 3.066 20 0 BGADHN COc1cc(CN[C@@H](C)CCC(C)C)sn1 ZINC000399113102 366506874 /nfs/dbraw/zinc/50/68/74/366506874.db2.gz IYJHNHWZTGYTGU-JTQLQIEISA-N 0 3 242.388 3.066 20 0 BGADHN COc1cc(CN[C@H](C)CCC(C)C)sn1 ZINC000399113105 366506954 /nfs/dbraw/zinc/50/69/54/366506954.db2.gz IYJHNHWZTGYTGU-SNVBAGLBSA-N 0 3 242.388 3.066 20 0 BGADHN COc1cc(CNC(C)(C)C(C)(C)C)sn1 ZINC000399120060 355839417 /nfs/dbraw/zinc/83/94/17/355839417.db2.gz KUZNMLUCPCTFRE-UHFFFAOYSA-N 0 3 242.388 3.066 20 0 BGADHN COc1cc(CN[C@H](C)CC(C)(C)C)sn1 ZINC000399161985 367707149 /nfs/dbraw/zinc/70/71/49/367707149.db2.gz CKGXAWHXAWEOPQ-SECBINFHSA-N 0 3 242.388 3.066 20 0 BGADHN COc1cc(CN[C@@H](C)CC(C)(C)C)sn1 ZINC000399161987 367707742 /nfs/dbraw/zinc/70/77/42/367707742.db2.gz CKGXAWHXAWEOPQ-VIFPVBQESA-N 0 3 242.388 3.066 20 0 BGADHN Cc1cc(CN)cc(NC(=O)[C@@H](C)C(C)(C)C)c1 ZINC000399255629 323202181 /nfs/dbraw/zinc/20/21/81/323202181.db2.gz HBAYCZULGYOMHI-LLVKDONJSA-N 0 3 248.370 3.074 20 0 BGADHN Cc1cc(CN)cc(NC(=O)[C@H](C)C(C)(C)C)c1 ZINC000399255631 323202094 /nfs/dbraw/zinc/20/20/94/323202094.db2.gz HBAYCZULGYOMHI-NSHDSACASA-N 0 3 248.370 3.074 20 0 BGADHN CC[C@@]1(C)CCN(Cc2cccc(F)c2N)C1 ZINC000399285588 355855744 /nfs/dbraw/zinc/85/57/44/355855744.db2.gz DDGVFIOXADPZBU-AWEZNQCLSA-N 0 3 236.334 3.030 20 0 BGADHN CC[C@]1(C)CCN(Cc2cccc(F)c2N)C1 ZINC000399285590 368066791 /nfs/dbraw/zinc/06/67/91/368066791.db2.gz DDGVFIOXADPZBU-CQSZACIVSA-N 0 3 236.334 3.030 20 0 BGADHN O=C(CCN1C2CCC1CC2)c1ccc(F)cc1 ZINC000399435251 357907315 /nfs/dbraw/zinc/90/73/15/357907315.db2.gz BYZVWNZQSAAESR-UHFFFAOYSA-N 0 3 247.313 3.025 20 0 BGADHN Cc1ccc(C(=O)CCN2C3CCC2CC3)cc1 ZINC000399449494 357890357 /nfs/dbraw/zinc/89/03/57/357890357.db2.gz HVJARTFJNJCVBS-UHFFFAOYSA-N 0 3 243.350 3.195 20 0 BGADHN CC[C@H]1C[C@H](C)C[N@H+]1Cc1cc([O-])cc(F)c1 ZINC000399502752 323394925 /nfs/dbraw/zinc/39/49/25/323394925.db2.gz BTDJYZKPBLGURZ-GWCFXTLKSA-N 0 3 237.318 3.152 20 0 BGADHN CC[C@H]1C[C@H](C)C[N@@H+]1Cc1cc([O-])cc(F)c1 ZINC000399502752 323394920 /nfs/dbraw/zinc/39/49/20/323394920.db2.gz BTDJYZKPBLGURZ-GWCFXTLKSA-N 0 3 237.318 3.152 20 0 BGADHN CC[C@@H]1C[C@H](C)C[N@H+]1Cc1cc([O-])cc(F)c1 ZINC000399502754 323395183 /nfs/dbraw/zinc/39/51/83/323395183.db2.gz BTDJYZKPBLGURZ-GXFFZTMASA-N 0 3 237.318 3.152 20 0 BGADHN CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1cc([O-])cc(F)c1 ZINC000399502754 323395179 /nfs/dbraw/zinc/39/51/79/323395179.db2.gz BTDJYZKPBLGURZ-GXFFZTMASA-N 0 3 237.318 3.152 20 0 BGADHN CC[C@H]1C[C@@H](C)C[N@H+]1Cc1cc([O-])cc(F)c1 ZINC000399502756 323395222 /nfs/dbraw/zinc/39/52/22/323395222.db2.gz BTDJYZKPBLGURZ-MFKMUULPSA-N 0 3 237.318 3.152 20 0 BGADHN CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1cc([O-])cc(F)c1 ZINC000399502756 323395219 /nfs/dbraw/zinc/39/52/19/323395219.db2.gz BTDJYZKPBLGURZ-MFKMUULPSA-N 0 3 237.318 3.152 20 0 BGADHN CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1cc([O-])cc(F)c1 ZINC000399502758 323394881 /nfs/dbraw/zinc/39/48/81/323394881.db2.gz BTDJYZKPBLGURZ-ZWNOBZJWSA-N 0 3 237.318 3.152 20 0 BGADHN CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1cc([O-])cc(F)c1 ZINC000399502758 323394876 /nfs/dbraw/zinc/39/48/76/323394876.db2.gz BTDJYZKPBLGURZ-ZWNOBZJWSA-N 0 3 237.318 3.152 20 0 BGADHN C[C@H]1[C@@H](C)[N@H+](Cc2cc([O-])cc(F)c2)C[C@H]1C ZINC000399571739 387554578 /nfs/dbraw/zinc/55/45/78/387554578.db2.gz PCSWRUGPEKFZEW-GMTAPVOTSA-N 0 3 237.318 3.008 20 0 BGADHN C[C@H]1[C@@H](C)[N@@H+](Cc2cc([O-])cc(F)c2)C[C@H]1C ZINC000399571739 387554575 /nfs/dbraw/zinc/55/45/75/387554575.db2.gz PCSWRUGPEKFZEW-GMTAPVOTSA-N 0 3 237.318 3.008 20 0 BGADHN C[C@@H]1[C@H](C)C[N@@H+](Cc2cc([O-])cc(F)c2)[C@H]1C ZINC000399571741 387555284 /nfs/dbraw/zinc/55/52/84/387555284.db2.gz PCSWRUGPEKFZEW-MXWKQRLJSA-N 0 3 237.318 3.008 20 0 BGADHN C[C@@H]1[C@H](C)C[N@H+](Cc2cc([O-])cc(F)c2)[C@H]1C ZINC000399571741 387555282 /nfs/dbraw/zinc/55/52/82/387555282.db2.gz PCSWRUGPEKFZEW-MXWKQRLJSA-N 0 3 237.318 3.008 20 0 BGADHN C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cc1cc([O-])cc(F)c1 ZINC000399571742 387555573 /nfs/dbraw/zinc/55/55/73/387555573.db2.gz PCSWRUGPEKFZEW-OUAUKWLOSA-N 0 3 237.318 3.008 20 0 BGADHN C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1cc([O-])cc(F)c1 ZINC000399571742 387555571 /nfs/dbraw/zinc/55/55/71/387555571.db2.gz PCSWRUGPEKFZEW-OUAUKWLOSA-N 0 3 237.318 3.008 20 0 BGADHN C[C@@H]1C[N@@H+](Cc2cc([O-])cc(F)c2)[C@@H](C)[C@H]1C ZINC000399571743 387555152 /nfs/dbraw/zinc/55/51/52/387555152.db2.gz PCSWRUGPEKFZEW-VWYCJHECSA-N 0 3 237.318 3.008 20 0 BGADHN C[C@@H]1C[N@H+](Cc2cc([O-])cc(F)c2)[C@@H](C)[C@H]1C ZINC000399571743 387555149 /nfs/dbraw/zinc/55/51/49/387555149.db2.gz PCSWRUGPEKFZEW-VWYCJHECSA-N 0 3 237.318 3.008 20 0 BGADHN C[C@H](CN(C)Cc1ccnc(C#N)c1)C(C)(C)C ZINC000399666949 357004783 /nfs/dbraw/zinc/00/47/83/357004783.db2.gz BOPFGQWBXMKGDL-GFCCVEGCSA-N 0 3 245.370 3.067 20 0 BGADHN C[C@@H](CN(C)Cc1ccnc(C#N)c1)C(C)(C)C ZINC000399666952 357004669 /nfs/dbraw/zinc/00/46/69/357004669.db2.gz BOPFGQWBXMKGDL-LBPRGKRZSA-N 0 3 245.370 3.067 20 0 BGADHN C[C@H]1[C@@H](C)N(Cc2ccc(Cl)nc2)C[C@H]1C ZINC000399742715 711435132 /nfs/dbraw/zinc/43/51/32/711435132.db2.gz JOHUFVZUKHRJMU-GMTAPVOTSA-N 0 3 238.762 3.211 20 0 BGADHN C[C@@H]1[C@H](C)CN(Cc2ccc(Cl)nc2)[C@H]1C ZINC000399742716 711434595 /nfs/dbraw/zinc/43/45/95/711434595.db2.gz JOHUFVZUKHRJMU-MXWKQRLJSA-N 0 3 238.762 3.211 20 0 BGADHN C[C@@H]1[C@@H](C)[C@H](C)CN1Cc1ccc(Cl)nc1 ZINC000399742718 711434997 /nfs/dbraw/zinc/43/49/97/711434997.db2.gz JOHUFVZUKHRJMU-OUAUKWLOSA-N 0 3 238.762 3.211 20 0 BGADHN C[C@@H]1CN(Cc2ccc(Cl)nc2)[C@@H](C)[C@H]1C ZINC000399742720 711759513 /nfs/dbraw/zinc/75/95/13/711759513.db2.gz JOHUFVZUKHRJMU-VWYCJHECSA-N 0 3 238.762 3.211 20 0 BGADHN Cc1scc(CNCCOC(C)(C)C)c1C ZINC000399758723 368557366 /nfs/dbraw/zinc/55/73/66/368557366.db2.gz CADPDABYCBLNOF-UHFFFAOYSA-N 0 3 241.400 3.270 20 0 BGADHN Cc1scc(CNCc2ccc(C)nc2)c1C ZINC000399758751 368557252 /nfs/dbraw/zinc/55/72/52/368557252.db2.gz CBCPHVYMFVVHBZ-UHFFFAOYSA-N 0 3 246.379 3.358 20 0 BGADHN Cc1scc(CNC[C@H]2CCCCO2)c1C ZINC000399764714 368563023 /nfs/dbraw/zinc/56/30/23/368563023.db2.gz GPWINVDRJMVYFX-CYBMUJFWSA-N 0 3 239.384 3.024 20 0 BGADHN Cc1scc(CNC[C@@H]2CCCCO2)c1C ZINC000399764719 368563311 /nfs/dbraw/zinc/56/33/11/368563311.db2.gz GPWINVDRJMVYFX-ZDUSSCGKSA-N 0 3 239.384 3.024 20 0 BGADHN Cc1scc(CNCc2cccnc2)c1C ZINC000399765888 368563676 /nfs/dbraw/zinc/56/36/76/368563676.db2.gz IOAWTNXSTTVNFG-UHFFFAOYSA-N 0 3 232.352 3.050 20 0 BGADHN Cc1scc(CNCc2cnccc2C)c1C ZINC000399765985 368563007 /nfs/dbraw/zinc/56/30/07/368563007.db2.gz IBIBRQASXMYBQB-UHFFFAOYSA-N 0 3 246.379 3.358 20 0 BGADHN Cc1scc(CNCc2ccncc2)c1C ZINC000399766746 368563779 /nfs/dbraw/zinc/56/37/79/368563779.db2.gz JDSAQINZSGMIRM-UHFFFAOYSA-N 0 3 232.352 3.050 20 0 BGADHN Cc1scc(CNCc2ccc(O)cc2)c1C ZINC000399777414 368574882 /nfs/dbraw/zinc/57/48/82/368574882.db2.gz PIALWIGYAQAWTO-UHFFFAOYSA-N 0 3 247.363 3.360 20 0 BGADHN CN(CCC(C)(C)C)Cc1cccc(F)c1N ZINC000399790523 368581645 /nfs/dbraw/zinc/58/16/45/368581645.db2.gz PXLWFMRYJABUND-UHFFFAOYSA-N 0 3 238.350 3.276 20 0 BGADHN Cc1scc(CNCc2cccc(O)c2)c1C ZINC000399795903 368585170 /nfs/dbraw/zinc/58/51/70/368585170.db2.gz ZWIXSZWDWCCVGH-UHFFFAOYSA-N 0 3 247.363 3.360 20 0 BGADHN CN(CCC(C)(C)C)Cc1ccccc1C#N ZINC000399796537 357051674 /nfs/dbraw/zinc/05/16/74/357051674.db2.gz XKMKIPODNUSDDW-UHFFFAOYSA-N 0 3 230.355 3.426 20 0 BGADHN Cc1scc(CNCCC(F)(F)F)c1C ZINC000399813948 368604202 /nfs/dbraw/zinc/60/42/02/368604202.db2.gz NUJPFYXVTFCFAP-UHFFFAOYSA-N 0 3 237.290 3.407 20 0 BGADHN C[C@H]1[C@@H](C)N(Cc2ccnc(Cl)c2)C[C@H]1C ZINC000399814564 711436223 /nfs/dbraw/zinc/43/62/23/711436223.db2.gz XWFPLARNRPBJMS-GMTAPVOTSA-N 0 3 238.762 3.211 20 0 BGADHN C[C@@H]1[C@H](C)CN(Cc2ccnc(Cl)c2)[C@H]1C ZINC000399814565 711436731 /nfs/dbraw/zinc/43/67/31/711436731.db2.gz XWFPLARNRPBJMS-MXWKQRLJSA-N 0 3 238.762 3.211 20 0 BGADHN C[C@@H]1[C@@H](C)[C@H](C)CN1Cc1ccnc(Cl)c1 ZINC000399814566 711436317 /nfs/dbraw/zinc/43/63/17/711436317.db2.gz XWFPLARNRPBJMS-OUAUKWLOSA-N 0 3 238.762 3.211 20 0 BGADHN C[C@@H]1CN(Cc2ccnc(Cl)c2)[C@@H](C)[C@H]1C ZINC000399814567 711436621 /nfs/dbraw/zinc/43/66/21/711436621.db2.gz XWFPLARNRPBJMS-VWYCJHECSA-N 0 3 238.762 3.211 20 0 BGADHN C[C@H]1[C@@H](C)N(Cc2cccc(Cl)n2)C[C@H]1C ZINC000399814580 711761355 /nfs/dbraw/zinc/76/13/55/711761355.db2.gz XWPYNJCFYMLMCZ-GMTAPVOTSA-N 0 3 238.762 3.211 20 0 BGADHN C[C@@H]1[C@H](C)CN(Cc2cccc(Cl)n2)[C@H]1C ZINC000399814581 711436327 /nfs/dbraw/zinc/43/63/27/711436327.db2.gz XWPYNJCFYMLMCZ-MXWKQRLJSA-N 0 3 238.762 3.211 20 0 BGADHN C[C@@H]1[C@@H](C)[C@H](C)CN1Cc1cccc(Cl)n1 ZINC000399814582 711761307 /nfs/dbraw/zinc/76/13/07/711761307.db2.gz XWPYNJCFYMLMCZ-OUAUKWLOSA-N 0 3 238.762 3.211 20 0 BGADHN C[C@@H]1CN(Cc2cccc(Cl)n2)[C@@H](C)[C@H]1C ZINC000399814583 711436231 /nfs/dbraw/zinc/43/62/31/711436231.db2.gz XWPYNJCFYMLMCZ-VWYCJHECSA-N 0 3 238.762 3.211 20 0 BGADHN C[C@H]1[C@@H](C)N(Cc2cccnc2Cl)C[C@H]1C ZINC000399817977 711436587 /nfs/dbraw/zinc/43/65/87/711436587.db2.gz ZTIUIYGAHSDNLO-GMTAPVOTSA-N 0 3 238.762 3.211 20 0 BGADHN C[C@@H]1[C@H](C)CN(Cc2cccnc2Cl)[C@H]1C ZINC000399817978 711761414 /nfs/dbraw/zinc/76/14/14/711761414.db2.gz ZTIUIYGAHSDNLO-MXWKQRLJSA-N 0 3 238.762 3.211 20 0 BGADHN C[C@@H]1[C@@H](C)[C@H](C)CN1Cc1cccnc1Cl ZINC000399817979 711436117 /nfs/dbraw/zinc/43/61/17/711436117.db2.gz ZTIUIYGAHSDNLO-OUAUKWLOSA-N 0 3 238.762 3.211 20 0 BGADHN C[C@@H]1CN(Cc2cccnc2Cl)[C@@H](C)[C@H]1C ZINC000399817980 711436774 /nfs/dbraw/zinc/43/67/74/711436774.db2.gz ZTIUIYGAHSDNLO-VWYCJHECSA-N 0 3 238.762 3.211 20 0 BGADHN Cc1scc(CNC[C@H]2CC[C@@H](C)O2)c1C ZINC000399820278 368604834 /nfs/dbraw/zinc/60/48/34/368604834.db2.gz UJEVZQQNPHPCCJ-NOZJJQNGSA-N 0 3 239.384 3.022 20 0 BGADHN Cc1scc(CNC[C@@H]2CC[C@@H](C)O2)c1C ZINC000399820279 368604678 /nfs/dbraw/zinc/60/46/78/368604678.db2.gz UJEVZQQNPHPCCJ-RNCFNFMXSA-N 0 3 239.384 3.022 20 0 BGADHN Cc1scc(CNC[C@H]2CC[C@H](C)O2)c1C ZINC000399820280 368604408 /nfs/dbraw/zinc/60/44/08/368604408.db2.gz UJEVZQQNPHPCCJ-TVQRCGJNSA-N 0 3 239.384 3.022 20 0 BGADHN Cc1scc(CNC[C@@H]2CC[C@H](C)O2)c1C ZINC000399820281 368604013 /nfs/dbraw/zinc/60/40/13/368604013.db2.gz UJEVZQQNPHPCCJ-ZANVPECISA-N 0 3 239.384 3.022 20 0 BGADHN Cc1scc(CN[C@H]2COC(C)(C)C2)c1C ZINC000399841168 359654145 /nfs/dbraw/zinc/65/41/45/359654145.db2.gz TWFFQEQSQMHFIT-GFCCVEGCSA-N 0 3 239.384 3.022 20 0 BGADHN Cc1scc(CN[C@@H]2COC(C)(C)C2)c1C ZINC000399841173 368615799 /nfs/dbraw/zinc/61/57/99/368615799.db2.gz TWFFQEQSQMHFIT-LBPRGKRZSA-N 0 3 239.384 3.022 20 0 BGADHN Cc1ccc([C@@H](C)NCCc2ccc(C)cn2)o1 ZINC000399845072 387572786 /nfs/dbraw/zinc/57/27/86/387572786.db2.gz MUQYQWWYDWGTIG-CYBMUJFWSA-N 0 3 244.338 3.185 20 0 BGADHN Cc1ccc([C@H](C)NCCc2ccc(C)cn2)o1 ZINC000399845076 387573604 /nfs/dbraw/zinc/57/36/04/387573604.db2.gz MUQYQWWYDWGTIG-ZDUSSCGKSA-N 0 3 244.338 3.185 20 0 BGADHN Cc1scc(CNCc2cccnc2C)c1C ZINC000399847185 368615457 /nfs/dbraw/zinc/61/54/57/368615457.db2.gz JIMYTFKAWMDUDV-UHFFFAOYSA-N 0 3 246.379 3.358 20 0 BGADHN Cc1scc(CNCc2cncc(C)c2)c1C ZINC000399853419 368621695 /nfs/dbraw/zinc/62/16/95/368621695.db2.gz LFIFPRYDVLIOJX-UHFFFAOYSA-N 0 3 246.379 3.358 20 0 BGADHN Cc1scc(CN[C@@H]2C[C@@H](C)O[C@H]2C)c1C ZINC000399871518 368897919 /nfs/dbraw/zinc/89/79/19/368897919.db2.gz HOTVIBHEGIPWHZ-DFAYQTQMSA-N 0 3 239.384 3.020 20 0 BGADHN Cc1scc(CN[C@@H]2C[C@H](C)O[C@H]2C)c1C ZINC000399871521 368898024 /nfs/dbraw/zinc/89/80/24/368898024.db2.gz HOTVIBHEGIPWHZ-GMOODISLSA-N 0 3 239.384 3.020 20 0 BGADHN Cc1scc(CN[C@@H]2C[C@H](C)O[C@@H]2C)c1C ZINC000399871524 368897763 /nfs/dbraw/zinc/89/77/63/368897763.db2.gz HOTVIBHEGIPWHZ-IYYTYJHQSA-N 0 3 239.384 3.020 20 0 BGADHN Cc1scc(CN[C@@H]2C[C@@H](C)O[C@@H]2C)c1C ZINC000399871527 368898165 /nfs/dbraw/zinc/89/81/65/368898165.db2.gz HOTVIBHEGIPWHZ-ZDSQKVDBSA-N 0 3 239.384 3.020 20 0 BGADHN CO[C@H](CNCc1csc(C)c1C)C(C)C ZINC000399877089 368898301 /nfs/dbraw/zinc/89/83/01/368898301.db2.gz JKZJCBBYBZNVHG-CYBMUJFWSA-N 0 3 241.400 3.126 20 0 BGADHN CO[C@@H](CNCc1csc(C)c1C)C(C)C ZINC000399877091 368898195 /nfs/dbraw/zinc/89/81/95/368898195.db2.gz JKZJCBBYBZNVHG-ZDUSSCGKSA-N 0 3 241.400 3.126 20 0 BGADHN Cc1scc(CNCc2ccncc2C)c1C ZINC000399913039 368920056 /nfs/dbraw/zinc/92/00/56/368920056.db2.gz XFMLLTIACSTMFA-UHFFFAOYSA-N 0 3 246.379 3.358 20 0 BGADHN Cc1scc(CNC/C=C\Cl)c1C ZINC000399981092 711437293 /nfs/dbraw/zinc/43/72/93/711437293.db2.gz GYDYZABUVUGZEL-ARJAWSKDSA-N 0 3 215.749 3.207 20 0 BGADHN Cc1scc(CNC/C=C/Cl)c1C ZINC000399981093 711437842 /nfs/dbraw/zinc/43/78/42/711437842.db2.gz GYDYZABUVUGZEL-ONEGZZNKSA-N 0 3 215.749 3.207 20 0 BGADHN c1csc(CNC[C@H]2CC3CCC2CC3)n1 ZINC000400004563 411072703 /nfs/dbraw/zinc/07/27/03/411072703.db2.gz CCGJKKGCLBWRER-HTAVTVPLSA-N 0 3 236.384 3.059 20 0 BGADHN c1csc(CNC[C@@H]2CC3CCC2CC3)n1 ZINC000400004565 411072957 /nfs/dbraw/zinc/07/29/57/411072957.db2.gz CCGJKKGCLBWRER-MCIGGMRASA-N 0 3 236.384 3.059 20 0 BGADHN c1nc(CNC[C@H]2CC3CCC2CC3)cs1 ZINC000400040564 369341185 /nfs/dbraw/zinc/34/11/85/369341185.db2.gz ZRLLPZLSYAYIMQ-HTAVTVPLSA-N 0 3 236.384 3.059 20 0 BGADHN c1nc(CNC[C@@H]2CC3CCC2CC3)cs1 ZINC000400040678 369341437 /nfs/dbraw/zinc/34/14/37/369341437.db2.gz ZRLLPZLSYAYIMQ-MCIGGMRASA-N 0 3 236.384 3.059 20 0 BGADHN Cc1noc(C)c1CNC[C@H]1CC2CCC1CC2 ZINC000400044428 369341444 /nfs/dbraw/zinc/34/14/44/369341444.db2.gz TVEAOLMRJFGCIP-JXQTWKCFSA-N 0 3 248.370 3.207 20 0 BGADHN Cc1noc(C)c1CNC[C@@H]1CC2CCC1CC2 ZINC000400044429 369341205 /nfs/dbraw/zinc/34/12/05/369341205.db2.gz TVEAOLMRJFGCIP-RUXDESIVSA-N 0 3 248.370 3.207 20 0 BGADHN Cc1ccc([C@@H](C)NCCC[C@@H]2CCOC2)o1 ZINC000400551721 388024791 /nfs/dbraw/zinc/02/47/91/388024791.db2.gz OHPJQXJHGMPMHN-CHWSQXEVSA-N 0 3 237.343 3.055 20 0 BGADHN Cc1ccc([C@@H](C)NCCC[C@H]2CCOC2)o1 ZINC000400551722 224833597 /nfs/dbraw/zinc/83/35/97/224833597.db2.gz OHPJQXJHGMPMHN-OLZOCXBDSA-N 0 3 237.343 3.055 20 0 BGADHN Cc1ccc([C@H](C)NCCC[C@@H]2CCOC2)o1 ZINC000400551723 388024623 /nfs/dbraw/zinc/02/46/23/388024623.db2.gz OHPJQXJHGMPMHN-QWHCGFSZSA-N 0 3 237.343 3.055 20 0 BGADHN Cc1ccc([C@H](C)NCCC[C@H]2CCOC2)o1 ZINC000400551724 388024896 /nfs/dbraw/zinc/02/48/96/388024896.db2.gz OHPJQXJHGMPMHN-STQMWFEESA-N 0 3 237.343 3.055 20 0 BGADHN Cc1ccc(CN[C@H](C)CC2CCC2)nc1 ZINC000400819623 398281134 /nfs/dbraw/zinc/28/11/34/398281134.db2.gz DCIUOJGWUAWZAL-GFCCVEGCSA-N 0 3 218.344 3.058 20 0 BGADHN Cc1ccc(CN[C@@H](C)CC2CCC2)nc1 ZINC000400819624 398281310 /nfs/dbraw/zinc/28/13/10/398281310.db2.gz DCIUOJGWUAWZAL-LBPRGKRZSA-N 0 3 218.344 3.058 20 0 BGADHN Cc1ccc(CNC/C=C/c2ccccc2)nc1 ZINC000400911815 490571779 /nfs/dbraw/zinc/57/17/79/490571779.db2.gz FCIALAFMDPCKCG-VMPITWQZSA-N 0 3 238.334 3.193 20 0 BGADHN Cc1ccc(CNC/C=C\c2ccccc2)nc1 ZINC000400911820 490571663 /nfs/dbraw/zinc/57/16/63/490571663.db2.gz FCIALAFMDPCKCG-YVMONPNESA-N 0 3 238.334 3.193 20 0 BGADHN Cc1cnc(CCNCc2ccsc2)c(C)c1 ZINC000401032829 488002022 /nfs/dbraw/zinc/00/20/22/488002022.db2.gz NHDFYIOSBGPICK-UHFFFAOYSA-N 0 3 246.379 3.092 20 0 BGADHN Fc1ccc(CNCC2=CCCC2)cc1 ZINC000401037585 488002104 /nfs/dbraw/zinc/00/21/04/488002104.db2.gz IBDCBFXFSDUHBR-UHFFFAOYSA-N 0 3 205.276 3.026 20 0 BGADHN Cc1noc(C)c1[C@@H](C)NCC1=CCCC1 ZINC000401056564 383847702 /nfs/dbraw/zinc/84/77/02/383847702.db2.gz ZBVNNQCRMFFAEY-SECBINFHSA-N 0 3 220.316 3.052 20 0 BGADHN Cc1noc(C)c1[C@H](C)NCC1=CCCC1 ZINC000401056569 383848994 /nfs/dbraw/zinc/84/89/94/383848994.db2.gz ZBVNNQCRMFFAEY-VIFPVBQESA-N 0 3 220.316 3.052 20 0 BGADHN Fc1cccc(CNCC2=CCCC2)c1 ZINC000401060961 488007068 /nfs/dbraw/zinc/00/70/68/488007068.db2.gz UUWLJJXFBWUJPA-UHFFFAOYSA-N 0 3 205.276 3.026 20 0 BGADHN COc1ccccc1[C@H](C)NCC1=CCCC1 ZINC000401061653 383861661 /nfs/dbraw/zinc/86/16/61/383861661.db2.gz UZXFJGFGQVEIKI-LBPRGKRZSA-N 0 3 231.339 3.456 20 0 BGADHN Cc1ccc([C@@H](C)NCC2=CCCC2)o1 ZINC000401062489 383864635 /nfs/dbraw/zinc/86/46/35/383864635.db2.gz VHNLWJSGXMFXJY-LLVKDONJSA-N 0 3 205.301 3.349 20 0 BGADHN Cc1ccc([C@H](C)NCC2=CCCC2)o1 ZINC000401062490 383864462 /nfs/dbraw/zinc/86/44/62/383864462.db2.gz VHNLWJSGXMFXJY-NSHDSACASA-N 0 3 205.301 3.349 20 0 BGADHN Fc1ccccc1CNCC1=CCCC1 ZINC000401063738 488006515 /nfs/dbraw/zinc/00/65/15/488006515.db2.gz WAJJOXZFPLJJQE-UHFFFAOYSA-N 0 3 205.276 3.026 20 0 BGADHN Fc1ccc(F)c(CNCC2=CCCC2)c1 ZINC000401096941 488007574 /nfs/dbraw/zinc/00/75/74/488007574.db2.gz DAFBHMQKAILXHG-UHFFFAOYSA-N 0 3 223.266 3.165 20 0 BGADHN C[C@@H](NCC1=CCCC1)c1cccc(O)c1 ZINC000401106787 383929598 /nfs/dbraw/zinc/92/95/98/383929598.db2.gz IRKFJERNPUFCQZ-LLVKDONJSA-N 0 3 217.312 3.153 20 0 BGADHN C[C@H](NCC1=CCCC1)c1cccc(O)c1 ZINC000401106788 383929813 /nfs/dbraw/zinc/92/98/13/383929813.db2.gz IRKFJERNPUFCQZ-NSHDSACASA-N 0 3 217.312 3.153 20 0 BGADHN Fc1ccc(CNCC2=CCCC2)cc1F ZINC000401113497 488008739 /nfs/dbraw/zinc/00/87/39/488008739.db2.gz KIIPDDBPFLMRQR-UHFFFAOYSA-N 0 3 223.266 3.165 20 0 BGADHN Cc1cnc(CCN[C@H](C)c2ccco2)c(C)c1 ZINC000401120660 383963197 /nfs/dbraw/zinc/96/31/97/383963197.db2.gz NLPZQSLAENKIGZ-CYBMUJFWSA-N 0 3 244.338 3.185 20 0 BGADHN Cc1cnc(CCN[C@@H](C)c2ccco2)c(C)c1 ZINC000401120663 383964372 /nfs/dbraw/zinc/96/43/72/383964372.db2.gz NLPZQSLAENKIGZ-ZDUSSCGKSA-N 0 3 244.338 3.185 20 0 BGADHN Cc1cc(CNCC2=CCCC2)cs1 ZINC000401136318 488013984 /nfs/dbraw/zinc/01/39/84/488013984.db2.gz VYVLMUUVWAPRGE-UHFFFAOYSA-N 0 3 207.342 3.256 20 0 BGADHN Fc1ccc(CNCC2=CCCC2)c(F)c1 ZINC000401145229 488015801 /nfs/dbraw/zinc/01/58/01/488015801.db2.gz ZVCCMFTXZDUDFB-UHFFFAOYSA-N 0 3 223.266 3.165 20 0 BGADHN COc1cccc([C@@H](C)NCC2=CCCC2)c1 ZINC000401162553 384014952 /nfs/dbraw/zinc/01/49/52/384014952.db2.gz PCGSMYMICNVEJQ-GFCCVEGCSA-N 0 3 231.339 3.456 20 0 BGADHN COc1cccc([C@H](C)NCC2=CCCC2)c1 ZINC000401162555 384016286 /nfs/dbraw/zinc/01/62/86/384016286.db2.gz PCGSMYMICNVEJQ-LBPRGKRZSA-N 0 3 231.339 3.456 20 0 BGADHN COc1ccccc1[C@@H](C)NCC1=CCCC1 ZINC000401174022 384030123 /nfs/dbraw/zinc/03/01/23/384030123.db2.gz UZXFJGFGQVEIKI-GFCCVEGCSA-N 0 3 231.339 3.456 20 0 BGADHN COCc1cccc(CNCC2=CCCC2)c1 ZINC000401175943 488018218 /nfs/dbraw/zinc/01/82/18/488018218.db2.gz VTOAJGZDLYBBJW-UHFFFAOYSA-N 0 3 231.339 3.033 20 0 BGADHN CCOc1cccc(CNCC2=CCCC2)c1 ZINC000401178231 488017917 /nfs/dbraw/zinc/01/79/17/488017917.db2.gz XAJVWGGCPIWQEG-UHFFFAOYSA-N 0 3 231.339 3.285 20 0 BGADHN COc1ccc([C@@H](C)NCC2=CCCC2)cc1 ZINC000401181922 384047330 /nfs/dbraw/zinc/04/73/30/384047330.db2.gz YWIKEHDAVNNYKM-GFCCVEGCSA-N 0 3 231.339 3.456 20 0 BGADHN COc1ccc([C@H](C)NCC2=CCCC2)cc1 ZINC000401181924 384047812 /nfs/dbraw/zinc/04/78/12/384047812.db2.gz YWIKEHDAVNNYKM-LBPRGKRZSA-N 0 3 231.339 3.456 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1CNCc1cc(C)no1 ZINC000401325501 384208337 /nfs/dbraw/zinc/20/83/37/384208337.db2.gz BGJJJTHDHCEWRJ-CHWSQXEVSA-N 0 3 236.359 3.289 20 0 BGADHN CC[C@@H]1CCCC[C@H]1CNCc1cc(C)no1 ZINC000401325502 384208427 /nfs/dbraw/zinc/20/84/27/384208427.db2.gz BGJJJTHDHCEWRJ-OLZOCXBDSA-N 0 3 236.359 3.289 20 0 BGADHN CC[C@H]1CCCC[C@@H]1CNCc1cc(C)no1 ZINC000401325503 384206574 /nfs/dbraw/zinc/20/65/74/384206574.db2.gz BGJJJTHDHCEWRJ-QWHCGFSZSA-N 0 3 236.359 3.289 20 0 BGADHN CC[C@H]1CCCC[C@H]1CNCc1cc(C)no1 ZINC000401325504 384207030 /nfs/dbraw/zinc/20/70/30/384207030.db2.gz BGJJJTHDHCEWRJ-STQMWFEESA-N 0 3 236.359 3.289 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1CNCc1cc(C)on1 ZINC000401402869 529277582 /nfs/dbraw/zinc/27/75/82/529277582.db2.gz NLBDBIJSMCQCGB-CHWSQXEVSA-N 0 3 236.359 3.289 20 0 BGADHN CC[C@@H]1CCCC[C@H]1CNCc1cc(C)on1 ZINC000401402870 529286835 /nfs/dbraw/zinc/28/68/35/529286835.db2.gz NLBDBIJSMCQCGB-OLZOCXBDSA-N 0 3 236.359 3.289 20 0 BGADHN CC[C@H]1CCCC[C@@H]1CNCc1cc(C)on1 ZINC000401402871 529204747 /nfs/dbraw/zinc/20/47/47/529204747.db2.gz NLBDBIJSMCQCGB-QWHCGFSZSA-N 0 3 236.359 3.289 20 0 BGADHN CC[C@H]1CCCC[C@H]1CNCc1cc(C)on1 ZINC000401402873 529209196 /nfs/dbraw/zinc/20/91/96/529209196.db2.gz NLBDBIJSMCQCGB-STQMWFEESA-N 0 3 236.359 3.289 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1CN[C@H](C)c1ncc[nH]1 ZINC000401416160 411195796 /nfs/dbraw/zinc/19/57/96/411195796.db2.gz CMDPYCJZJHNXAW-JHJVBQTASA-N 0 3 235.375 3.277 20 0 BGADHN CC[C@@H]1CCCC[C@H]1CN[C@H](C)c1ncc[nH]1 ZINC000401416161 411196055 /nfs/dbraw/zinc/19/60/55/411196055.db2.gz CMDPYCJZJHNXAW-UPJWGTAASA-N 0 3 235.375 3.277 20 0 BGADHN CC[C@@H]1CCCC[C@H]1CN[C@@H](C)c1ncc[nH]1 ZINC000401416162 411166488 /nfs/dbraw/zinc/16/64/88/411166488.db2.gz CMDPYCJZJHNXAW-XQQFMLRXSA-N 0 3 235.375 3.277 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1CN[C@@H](C)c1ncc[nH]1 ZINC000401416163 411195602 /nfs/dbraw/zinc/19/56/02/411195602.db2.gz CMDPYCJZJHNXAW-YNEHKIRRSA-N 0 3 235.375 3.277 20 0 BGADHN CC[C@H]1CCCC[C@H]1CNCc1nccn1CC ZINC000401474932 346728080 /nfs/dbraw/zinc/72/80/80/346728080.db2.gz KVBUOLLLGKLDIB-KBPBESRZSA-N 0 3 249.402 3.209 20 0 BGADHN CC[C@@H]1CCCC[C@H]1CNCc1nccn1CC ZINC000401474933 346727993 /nfs/dbraw/zinc/72/79/93/346727993.db2.gz KVBUOLLLGKLDIB-KGLIPLIRSA-N 0 3 249.402 3.209 20 0 BGADHN CC[C@H]1CCCC[C@@H]1CNCc1nccn1CC ZINC000401474934 346728406 /nfs/dbraw/zinc/72/84/06/346728406.db2.gz KVBUOLLLGKLDIB-UONOGXRCSA-N 0 3 249.402 3.209 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1CNCc1nccn1CC ZINC000401474935 346728251 /nfs/dbraw/zinc/72/82/51/346728251.db2.gz KVBUOLLLGKLDIB-ZIAGYGMSSA-N 0 3 249.402 3.209 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1CNCc1cnc(C)o1 ZINC000401510042 384728044 /nfs/dbraw/zinc/72/80/44/384728044.db2.gz VHJBWKPWNRGQAC-CHWSQXEVSA-N 0 3 236.359 3.289 20 0 BGADHN CC[C@@H]1CCCC[C@H]1CNCc1cnc(C)o1 ZINC000401510043 384728866 /nfs/dbraw/zinc/72/88/66/384728866.db2.gz VHJBWKPWNRGQAC-OLZOCXBDSA-N 0 3 236.359 3.289 20 0 BGADHN CC[C@H]1CCCC[C@@H]1CNCc1cnc(C)o1 ZINC000401510044 384729837 /nfs/dbraw/zinc/72/98/37/384729837.db2.gz VHJBWKPWNRGQAC-QWHCGFSZSA-N 0 3 236.359 3.289 20 0 BGADHN CC[C@H]1CCCC[C@H]1CNCc1cnc(C)o1 ZINC000401510045 384729010 /nfs/dbraw/zinc/72/90/10/384729010.db2.gz VHJBWKPWNRGQAC-STQMWFEESA-N 0 3 236.359 3.289 20 0 BGADHN CC[C@H]1CCCC[C@H]1CNCc1ccc(C)nn1 ZINC000401621387 529209406 /nfs/dbraw/zinc/20/94/06/529209406.db2.gz RKBJHEHBIGZMPQ-KBPBESRZSA-N 0 3 247.386 3.091 20 0 BGADHN CC[C@@H]1CCCC[C@H]1CNCc1ccc(C)nn1 ZINC000401621388 529286708 /nfs/dbraw/zinc/28/67/08/529286708.db2.gz RKBJHEHBIGZMPQ-KGLIPLIRSA-N 0 3 247.386 3.091 20 0 BGADHN CC[C@H]1CCCC[C@@H]1CNCc1ccc(C)nn1 ZINC000401621389 529204692 /nfs/dbraw/zinc/20/46/92/529204692.db2.gz RKBJHEHBIGZMPQ-UONOGXRCSA-N 0 3 247.386 3.091 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1CNCc1ccc(C)nn1 ZINC000401621390 529277417 /nfs/dbraw/zinc/27/74/17/529277417.db2.gz RKBJHEHBIGZMPQ-ZIAGYGMSSA-N 0 3 247.386 3.091 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1CNCc1conc1C ZINC000401777400 529278090 /nfs/dbraw/zinc/27/80/90/529278090.db2.gz ZQTHVJWSMJVDRD-CHWSQXEVSA-N 0 3 236.359 3.289 20 0 BGADHN CC[C@@H]1CCCC[C@H]1CNCc1conc1C ZINC000401777403 529286754 /nfs/dbraw/zinc/28/67/54/529286754.db2.gz ZQTHVJWSMJVDRD-OLZOCXBDSA-N 0 3 236.359 3.289 20 0 BGADHN CC[C@H]1CCCC[C@@H]1CNCc1conc1C ZINC000401777406 529204860 /nfs/dbraw/zinc/20/48/60/529204860.db2.gz ZQTHVJWSMJVDRD-QWHCGFSZSA-N 0 3 236.359 3.289 20 0 BGADHN CC[C@H]1CCCC[C@H]1CNCc1conc1C ZINC000401777408 529209329 /nfs/dbraw/zinc/20/93/29/529209329.db2.gz ZQTHVJWSMJVDRD-STQMWFEESA-N 0 3 236.359 3.289 20 0 BGADHN CC[C@@H]1CCCC[C@H]1CNCc1cscn1 ZINC000401780488 529286938 /nfs/dbraw/zinc/28/69/38/529286938.db2.gz AYZYOPJCKGWEIY-NEPJUHHUSA-N 0 3 238.400 3.449 20 0 BGADHN CC[C@H]1CCCC[C@@H]1CNCc1cscn1 ZINC000401780490 529204577 /nfs/dbraw/zinc/20/45/77/529204577.db2.gz AYZYOPJCKGWEIY-NWDGAFQWSA-N 0 3 238.400 3.449 20 0 BGADHN CC[C@H]1CCCC[C@H]1CNCc1cscn1 ZINC000401780493 529209423 /nfs/dbraw/zinc/20/94/23/529209423.db2.gz AYZYOPJCKGWEIY-RYUDHWBXSA-N 0 3 238.400 3.449 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1CNCc1cscn1 ZINC000401780495 529278045 /nfs/dbraw/zinc/27/80/45/529278045.db2.gz AYZYOPJCKGWEIY-VXGBXAGGSA-N 0 3 238.400 3.449 20 0 BGADHN C[C@@H](N[C@@H]1CO[C@@H](C)C1)c1ccccc1Cl ZINC000401794730 384020444 /nfs/dbraw/zinc/02/04/44/384020444.db2.gz PTSQQJLTZOGTRK-AXFHLTTASA-N 0 3 239.746 3.168 20 0 BGADHN C[C@H](N[C@@H]1CO[C@@H](C)C1)c1ccccc1Cl ZINC000401794733 384020264 /nfs/dbraw/zinc/02/02/64/384020264.db2.gz PTSQQJLTZOGTRK-DCAQKATOSA-N 0 3 239.746 3.168 20 0 BGADHN C[C@H](N[C@H]1CO[C@@H](C)C1)c1ccccc1Cl ZINC000401794735 384020809 /nfs/dbraw/zinc/02/08/09/384020809.db2.gz PTSQQJLTZOGTRK-GARJFASQSA-N 0 3 239.746 3.168 20 0 BGADHN C[C@@H](N[C@H]1CO[C@H](C)C1)c1ccccc1Cl ZINC000401794738 347908250 /nfs/dbraw/zinc/90/82/50/347908250.db2.gz PTSQQJLTZOGTRK-GMTAPVOTSA-N 0 3 239.746 3.168 20 0 BGADHN C[C@@H](N[C@H]1CO[C@@H](C)C1)c1ccccc1Cl ZINC000401794739 384020950 /nfs/dbraw/zinc/02/09/50/384020950.db2.gz PTSQQJLTZOGTRK-HBNTYKKESA-N 0 3 239.746 3.168 20 0 BGADHN C[C@@H](N[C@@H]1CO[C@H](C)C1)c1ccccc1Cl ZINC000401794743 347908533 /nfs/dbraw/zinc/90/85/33/347908533.db2.gz PTSQQJLTZOGTRK-MXWKQRLJSA-N 0 3 239.746 3.168 20 0 BGADHN C[C@H](N[C@H]1CO[C@H](C)C1)c1ccccc1Cl ZINC000401794744 347908255 /nfs/dbraw/zinc/90/82/55/347908255.db2.gz PTSQQJLTZOGTRK-OUAUKWLOSA-N 0 3 239.746 3.168 20 0 BGADHN C[C@H](N[C@@H]1CO[C@H](C)C1)c1ccccc1Cl ZINC000401794746 347908275 /nfs/dbraw/zinc/90/82/75/347908275.db2.gz PTSQQJLTZOGTRK-VWYCJHECSA-N 0 3 239.746 3.168 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CO[C@@H](C)C2)c(C)s1 ZINC000401805037 347942401 /nfs/dbraw/zinc/94/24/01/347942401.db2.gz XSWFOFKHTLOBAT-PEXQALLHSA-N 0 3 239.384 3.193 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2CO[C@@H](C)C2)c(C)s1 ZINC000401805039 347942391 /nfs/dbraw/zinc/94/23/91/347942391.db2.gz XSWFOFKHTLOBAT-PTOFAABTSA-N 0 3 239.384 3.193 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CO[C@H](C)C2)c(C)s1 ZINC000401805041 347942415 /nfs/dbraw/zinc/94/24/15/347942415.db2.gz XSWFOFKHTLOBAT-QRTLGDNMSA-N 0 3 239.384 3.193 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2CO[C@H](C)C2)c(C)s1 ZINC000401805043 347942439 /nfs/dbraw/zinc/94/24/39/347942439.db2.gz XSWFOFKHTLOBAT-UBHAPETDSA-N 0 3 239.384 3.193 20 0 BGADHN C[C@@H](N[C@@H]1CO[C@H](C)C1)c1cccc(Cl)c1 ZINC000401822359 323127814 /nfs/dbraw/zinc/12/78/14/323127814.db2.gz KTFXVFVRIZQIJZ-BREBYQMCSA-N 0 3 239.746 3.168 20 0 BGADHN C[C@H](N[C@H]1CO[C@H](C)C1)c1cccc(Cl)c1 ZINC000401822361 323127761 /nfs/dbraw/zinc/12/77/61/323127761.db2.gz KTFXVFVRIZQIJZ-GBIKHYSHSA-N 0 3 239.746 3.168 20 0 BGADHN C[C@@H](N[C@H]1CO[C@H](C)C1)c1cccc(Cl)c1 ZINC000401822362 323127800 /nfs/dbraw/zinc/12/78/00/323127800.db2.gz KTFXVFVRIZQIJZ-GIPNMCIBSA-N 0 3 239.746 3.168 20 0 BGADHN C[C@H](N[C@@H]1CO[C@H](C)C1)c1cccc(Cl)c1 ZINC000401822364 323127709 /nfs/dbraw/zinc/12/77/09/323127709.db2.gz KTFXVFVRIZQIJZ-NRUUGDAUSA-N 0 3 239.746 3.168 20 0 BGADHN CCc1ccc([C@H](C)N[C@@H]2CO[C@@H](C)C2)cc1 ZINC000401823901 348035383 /nfs/dbraw/zinc/03/53/83/348035383.db2.gz FXIKMSQBVAZFMN-HUBLWGQQSA-N 0 3 233.355 3.077 20 0 BGADHN CCc1ccc([C@H](C)N[C@H]2CO[C@@H](C)C2)cc1 ZINC000401823902 348035740 /nfs/dbraw/zinc/03/57/40/348035740.db2.gz FXIKMSQBVAZFMN-SLEUVZQESA-N 0 3 233.355 3.077 20 0 BGADHN CCc1ccc([C@H](C)N[C@H]2CO[C@H](C)C2)cc1 ZINC000401823903 348036202 /nfs/dbraw/zinc/03/62/02/348036202.db2.gz FXIKMSQBVAZFMN-TYNCELHUSA-N 0 3 233.355 3.077 20 0 BGADHN CCc1ccc([C@H](C)N[C@@H]2CO[C@H](C)C2)cc1 ZINC000401823904 348035872 /nfs/dbraw/zinc/03/58/72/348035872.db2.gz FXIKMSQBVAZFMN-XUJVJEKNSA-N 0 3 233.355 3.077 20 0 BGADHN C[C@H](N[C@@H]1CO[C@H](C)C1)c1cc2ccccc2o1 ZINC000401824122 348036142 /nfs/dbraw/zinc/03/61/42/348036142.db2.gz LGUHJNITAJBBIQ-MDZLAQPJSA-N 0 3 245.322 3.261 20 0 BGADHN C[C@@H](N[C@H]1CO[C@H](C)C1)c1cc2ccccc2o1 ZINC000401824123 348035789 /nfs/dbraw/zinc/03/57/89/348035789.db2.gz LGUHJNITAJBBIQ-NQBHXWOUSA-N 0 3 245.322 3.261 20 0 BGADHN C[C@H](N[C@H]1CO[C@H](C)C1)c1cc2ccccc2o1 ZINC000401824124 348035732 /nfs/dbraw/zinc/03/57/32/348035732.db2.gz LGUHJNITAJBBIQ-NTZNESFSSA-N 0 3 245.322 3.261 20 0 BGADHN C[C@@H](N[C@@H]1CO[C@H](C)C1)c1cc2ccccc2o1 ZINC000401824125 348036129 /nfs/dbraw/zinc/03/61/29/348036129.db2.gz LGUHJNITAJBBIQ-WZRBSPASSA-N 0 3 245.322 3.261 20 0 BGADHN CC[C@@H]1CCCC[C@H]1CNCc1nccs1 ZINC000401854738 411170166 /nfs/dbraw/zinc/17/01/66/411170166.db2.gz WOEDWBAUCFGSKY-NEPJUHHUSA-N 0 3 238.400 3.449 20 0 BGADHN CC[C@H]1CCCC[C@@H]1CNCc1nccs1 ZINC000401854739 411170274 /nfs/dbraw/zinc/17/02/74/411170274.db2.gz WOEDWBAUCFGSKY-NWDGAFQWSA-N 0 3 238.400 3.449 20 0 BGADHN CC[C@H]1CCCC[C@H]1CNCc1nccs1 ZINC000401854740 411350333 /nfs/dbraw/zinc/35/03/33/411350333.db2.gz WOEDWBAUCFGSKY-RYUDHWBXSA-N 0 3 238.400 3.449 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1CNCc1nccs1 ZINC000401854742 411349707 /nfs/dbraw/zinc/34/97/07/411349707.db2.gz WOEDWBAUCFGSKY-VXGBXAGGSA-N 0 3 238.400 3.449 20 0 BGADHN C[C@@H](N[C@@H]1CO[C@H](C)C1)c1ccc(Cl)cc1 ZINC000401864993 348303085 /nfs/dbraw/zinc/30/30/85/348303085.db2.gz FNGDMHVHVYBKGE-BREBYQMCSA-N 0 3 239.746 3.168 20 0 BGADHN C[C@@H](N[C@@H]1CO[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000401864996 398333910 /nfs/dbraw/zinc/33/39/10/398333910.db2.gz FNGDMHVHVYBKGE-CWSCBRNRSA-N 0 3 239.746 3.168 20 0 BGADHN C[C@H](N[C@H]1CO[C@H](C)C1)c1ccc(Cl)cc1 ZINC000401864999 348303590 /nfs/dbraw/zinc/30/35/90/348303590.db2.gz FNGDMHVHVYBKGE-GBIKHYSHSA-N 0 3 239.746 3.168 20 0 BGADHN C[C@@H](N[C@H]1CO[C@H](C)C1)c1ccc(Cl)cc1 ZINC000401865002 348303726 /nfs/dbraw/zinc/30/37/26/348303726.db2.gz FNGDMHVHVYBKGE-GIPNMCIBSA-N 0 3 239.746 3.168 20 0 BGADHN C[C@H](N[C@@H]1CO[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000401865005 398333978 /nfs/dbraw/zinc/33/39/78/398333978.db2.gz FNGDMHVHVYBKGE-KWBADKCTSA-N 0 3 239.746 3.168 20 0 BGADHN C[C@H](N[C@@H]1CO[C@H](C)C1)c1ccc(Cl)cc1 ZINC000401865008 348303447 /nfs/dbraw/zinc/30/34/47/348303447.db2.gz FNGDMHVHVYBKGE-NRUUGDAUSA-N 0 3 239.746 3.168 20 0 BGADHN C[C@@H](N[C@H]1CO[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000401865010 398333946 /nfs/dbraw/zinc/33/39/46/398333946.db2.gz FNGDMHVHVYBKGE-OPQQBVKSSA-N 0 3 239.746 3.168 20 0 BGADHN C[C@H](N[C@H]1CO[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000401865014 398333951 /nfs/dbraw/zinc/33/39/51/398333951.db2.gz FNGDMHVHVYBKGE-OUJBWJOFSA-N 0 3 239.746 3.168 20 0 BGADHN CC(C)c1ccc(CN[C@@H]2CO[C@H](C)C2)cc1 ZINC000401865877 384992674 /nfs/dbraw/zinc/99/26/74/384992674.db2.gz VDDJBBLWOKIXKM-DOMZBBRYSA-N 0 3 233.355 3.077 20 0 BGADHN CC(C)c1ccc(CN[C@H]2CO[C@H](C)C2)cc1 ZINC000401865880 322938495 /nfs/dbraw/zinc/93/84/95/322938495.db2.gz VDDJBBLWOKIXKM-IUODEOHRSA-N 0 3 233.355 3.077 20 0 BGADHN CC(C)c1ccc(CN[C@H]2CO[C@@H](C)C2)cc1 ZINC000401866069 384993746 /nfs/dbraw/zinc/99/37/46/384993746.db2.gz VDDJBBLWOKIXKM-SWLSCSKDSA-N 0 3 233.355 3.077 20 0 BGADHN CC(C)c1ccc(CN[C@@H]2CO[C@@H](C)C2)cc1 ZINC000401866070 322938579 /nfs/dbraw/zinc/93/85/79/322938579.db2.gz VDDJBBLWOKIXKM-WFASDCNBSA-N 0 3 233.355 3.077 20 0 BGADHN C[C@@H](N[C@@H]1CO[C@@H](C)C1)c1cccc(Cl)c1 ZINC000401877381 384187207 /nfs/dbraw/zinc/18/72/07/384187207.db2.gz KTFXVFVRIZQIJZ-CWSCBRNRSA-N 0 3 239.746 3.168 20 0 BGADHN C[C@@H](N[C@H]1CO[C@@H](C)C1)c1cccc(Cl)c1 ZINC000401877387 384187878 /nfs/dbraw/zinc/18/78/78/384187878.db2.gz KTFXVFVRIZQIJZ-OPQQBVKSSA-N 0 3 239.746 3.168 20 0 BGADHN C[C@@H](N[C@@H]1CO[C@H](C)C1)c1ccc(Cl)s1 ZINC000401880002 348435923 /nfs/dbraw/zinc/43/59/23/348435923.db2.gz LTUWBUHRJUILAF-HLTSFMKQSA-N 0 3 245.775 3.230 20 0 BGADHN C[C@H](N[C@H]1CO[C@H](C)C1)c1ccc(Cl)s1 ZINC000401880003 348436240 /nfs/dbraw/zinc/43/62/40/348436240.db2.gz LTUWBUHRJUILAF-HRDYMLBCSA-N 0 3 245.775 3.230 20 0 BGADHN C[C@@H](N[C@H]1CO[C@H](C)C1)c1ccc(Cl)s1 ZINC000401880004 348436094 /nfs/dbraw/zinc/43/60/94/348436094.db2.gz LTUWBUHRJUILAF-IWSPIJDZSA-N 0 3 245.775 3.230 20 0 BGADHN C[C@H](N[C@@H]1CO[C@H](C)C1)c1ccc(Cl)s1 ZINC000401880006 348436189 /nfs/dbraw/zinc/43/61/89/348436189.db2.gz LTUWBUHRJUILAF-VGMNWLOBSA-N 0 3 245.775 3.230 20 0 BGADHN CC[C@H](N[C@@H]1CO[C@@H](C)C1)c1ccc(F)cc1 ZINC000402017627 349146501 /nfs/dbraw/zinc/14/65/01/349146501.db2.gz DAOPVTPAQZNOSJ-BPNCWPANSA-N 0 3 237.318 3.044 20 0 BGADHN CC[C@H](N[C@H]1CO[C@@H](C)C1)c1ccc(F)cc1 ZINC000402017629 349146131 /nfs/dbraw/zinc/14/61/31/349146131.db2.gz DAOPVTPAQZNOSJ-GDLCADMTSA-N 0 3 237.318 3.044 20 0 BGADHN CC[C@H](N[C@H]1CO[C@H](C)C1)c1ccc(F)cc1 ZINC000402017631 349147376 /nfs/dbraw/zinc/14/73/76/349147376.db2.gz DAOPVTPAQZNOSJ-HONMWMINSA-N 0 3 237.318 3.044 20 0 BGADHN CC[C@H](N[C@@H]1CO[C@H](C)C1)c1ccc(F)cc1 ZINC000402017633 349146862 /nfs/dbraw/zinc/14/68/62/349146862.db2.gz DAOPVTPAQZNOSJ-SWHYSGLUSA-N 0 3 237.318 3.044 20 0 BGADHN CC[C@H](N[C@H]1CO[C@H](C)C1)c1ccccc1F ZINC000402044196 349266020 /nfs/dbraw/zinc/26/60/20/349266020.db2.gz MTLBPGSWVMUBRC-GYSYKLTISA-N 0 3 237.318 3.044 20 0 BGADHN CC[C@H](N[C@@H]1CO[C@@H](C)C1)c1ccccc1F ZINC000402044197 349266132 /nfs/dbraw/zinc/26/61/32/349266132.db2.gz MTLBPGSWVMUBRC-MJVIPROJSA-N 0 3 237.318 3.044 20 0 BGADHN CC[C@H](N[C@@H]1CO[C@H](C)C1)c1ccccc1F ZINC000402044198 354291361 /nfs/dbraw/zinc/29/13/61/354291361.db2.gz MTLBPGSWVMUBRC-SUNKGSAMSA-N 0 3 237.318 3.044 20 0 BGADHN CC[C@H](N[C@H]1CO[C@@H](C)C1)c1ccccc1F ZINC000402044199 349266172 /nfs/dbraw/zinc/26/61/72/349266172.db2.gz MTLBPGSWVMUBRC-WDMOLILDSA-N 0 3 237.318 3.044 20 0 BGADHN CC[C@H](N[C@@H]1CO[C@@H](C)C1)c1cccc(F)c1 ZINC000402070297 259329680 /nfs/dbraw/zinc/32/96/80/259329680.db2.gz YXDSJJSHVLSPLW-BPNCWPANSA-N 0 3 237.318 3.044 20 0 BGADHN CC[C@H](N[C@H]1CO[C@@H](C)C1)c1cccc(F)c1 ZINC000402070299 259329735 /nfs/dbraw/zinc/32/97/35/259329735.db2.gz YXDSJJSHVLSPLW-GDLCADMTSA-N 0 3 237.318 3.044 20 0 BGADHN CC[C@H](N[C@H]1CO[C@H](C)C1)c1cccc(F)c1 ZINC000402070300 259329716 /nfs/dbraw/zinc/32/97/16/259329716.db2.gz YXDSJJSHVLSPLW-HONMWMINSA-N 0 3 237.318 3.044 20 0 BGADHN CC[C@H](N[C@@H]1CO[C@H](C)C1)c1cccc(F)c1 ZINC000402070302 259329655 /nfs/dbraw/zinc/32/96/55/259329655.db2.gz YXDSJJSHVLSPLW-SWHYSGLUSA-N 0 3 237.318 3.044 20 0 BGADHN Cc1cc(C)cc([C@H](C)N[C@@H]2CO[C@H](C)C2)c1 ZINC000402071553 349331094 /nfs/dbraw/zinc/33/10/94/349331094.db2.gz ZUAZUTPKJBYKND-IPYPFGDCSA-N 0 3 233.355 3.131 20 0 BGADHN Cc1cc(C)cc([C@H](C)N[C@H]2CO[C@@H](C)C2)c1 ZINC000402071555 349331183 /nfs/dbraw/zinc/33/11/83/349331183.db2.gz ZUAZUTPKJBYKND-KCQAQPDRSA-N 0 3 233.355 3.131 20 0 BGADHN Cc1cc(C)cc([C@H](C)N[C@H]2CO[C@H](C)C2)c1 ZINC000402071557 349331001 /nfs/dbraw/zinc/33/10/01/349331001.db2.gz ZUAZUTPKJBYKND-VNHYZAJKSA-N 0 3 233.355 3.131 20 0 BGADHN Cc1cc(C)cc([C@H](C)N[C@@H]2CO[C@@H](C)C2)c1 ZINC000402071559 349330583 /nfs/dbraw/zinc/33/05/83/349330583.db2.gz ZUAZUTPKJBYKND-YDHLFZDLSA-N 0 3 233.355 3.131 20 0 BGADHN C[C@H]1C[C@@H](NCc2csc3ccccc23)CO1 ZINC000402095423 349469694 /nfs/dbraw/zinc/46/96/94/349469694.db2.gz WMNMODJODXVHDM-CMPLNLGQSA-N 0 3 247.363 3.168 20 0 BGADHN C[C@H]1C[C@H](NCc2csc3ccccc23)CO1 ZINC000402095425 349469621 /nfs/dbraw/zinc/46/96/21/349469621.db2.gz WMNMODJODXVHDM-JQWIXIFHSA-N 0 3 247.363 3.168 20 0 BGADHN C[C@@H]1C[C@H](NCc2csc3ccccc23)CO1 ZINC000402095427 349469643 /nfs/dbraw/zinc/46/96/43/349469643.db2.gz WMNMODJODXVHDM-PWSUYJOCSA-N 0 3 247.363 3.168 20 0 BGADHN C[C@@H]1C[C@@H](NCc2csc3ccccc23)CO1 ZINC000402095430 349469671 /nfs/dbraw/zinc/46/96/71/349469671.db2.gz WMNMODJODXVHDM-ZYHUDNBSSA-N 0 3 247.363 3.168 20 0 BGADHN C[C@H](N[C@H]1CO[C@H](C)C1)c1csc(Cl)c1 ZINC000402123421 349851392 /nfs/dbraw/zinc/85/13/92/349851392.db2.gz HIGFWYVZNUHPGT-KHQFGBGNSA-N 0 3 245.775 3.230 20 0 BGADHN C[C@@H](N[C@@H]1CO[C@H](C)C1)c1csc(Cl)c1 ZINC000402123425 349851620 /nfs/dbraw/zinc/85/16/20/349851620.db2.gz HIGFWYVZNUHPGT-MRTMQBJTSA-N 0 3 245.775 3.230 20 0 BGADHN C[C@@H](N[C@H]1CO[C@H](C)C1)c1csc(Cl)c1 ZINC000402123428 349851348 /nfs/dbraw/zinc/85/13/48/349851348.db2.gz HIGFWYVZNUHPGT-NQMVMOMDSA-N 0 3 245.775 3.230 20 0 BGADHN C[C@H](N[C@@H]1CO[C@H](C)C1)c1csc(Cl)c1 ZINC000402123430 349851331 /nfs/dbraw/zinc/85/13/31/349851331.db2.gz HIGFWYVZNUHPGT-WEDXCCLWSA-N 0 3 245.775 3.230 20 0 BGADHN CCc1ccc([C@H](C)N[C@@H]2CO[C@@H](C)C2)s1 ZINC000402227802 350076033 /nfs/dbraw/zinc/07/60/33/350076033.db2.gz SWWBABKXDGMHLA-DCAQKATOSA-N 0 3 239.384 3.139 20 0 BGADHN CCc1ccc([C@H](C)N[C@H]2CO[C@@H](C)C2)s1 ZINC000402227803 350076151 /nfs/dbraw/zinc/07/61/51/350076151.db2.gz SWWBABKXDGMHLA-GARJFASQSA-N 0 3 239.384 3.139 20 0 BGADHN CCc1ccc([C@H](C)N[C@H]2CO[C@H](C)C2)s1 ZINC000402227804 350076177 /nfs/dbraw/zinc/07/61/77/350076177.db2.gz SWWBABKXDGMHLA-OUAUKWLOSA-N 0 3 239.384 3.139 20 0 BGADHN CCc1ccc([C@H](C)N[C@@H]2CO[C@H](C)C2)s1 ZINC000402227805 350076007 /nfs/dbraw/zinc/07/60/07/350076007.db2.gz SWWBABKXDGMHLA-VWYCJHECSA-N 0 3 239.384 3.139 20 0 BGADHN C[C@@H]1C[C@H](NCc2ccc(C(C)(C)C)cc2)CO1 ZINC000402255951 259331450 /nfs/dbraw/zinc/33/14/50/259331450.db2.gz AYIAZRFQZURYQX-DOMZBBRYSA-N 0 3 247.382 3.251 20 0 BGADHN C[C@@H]1C[C@@H](NCc2ccc(C(C)(C)C)cc2)CO1 ZINC000402255958 259331603 /nfs/dbraw/zinc/33/16/03/259331603.db2.gz AYIAZRFQZURYQX-IUODEOHRSA-N 0 3 247.382 3.251 20 0 BGADHN C[C@H]1C[C@@H](NCc2ccc(C(C)(C)C)cc2)CO1 ZINC000402255961 259331417 /nfs/dbraw/zinc/33/14/17/259331417.db2.gz AYIAZRFQZURYQX-SWLSCSKDSA-N 0 3 247.382 3.251 20 0 BGADHN C[C@H]1C[C@H](NCc2ccc(C(C)(C)C)cc2)CO1 ZINC000402255965 259331413 /nfs/dbraw/zinc/33/14/13/259331413.db2.gz AYIAZRFQZURYQX-WFASDCNBSA-N 0 3 247.382 3.251 20 0 BGADHN C[C@H]1C[C@@H](NCc2ccc3ccccc3c2)CO1 ZINC000402299541 350127856 /nfs/dbraw/zinc/12/78/56/350127856.db2.gz JHDODTDBSVNBFA-BLLLJJGKSA-N 0 3 241.334 3.107 20 0 BGADHN C[C@H]1C[C@H](NCc2ccc3ccccc3c2)CO1 ZINC000402299550 350127772 /nfs/dbraw/zinc/12/77/72/350127772.db2.gz JHDODTDBSVNBFA-LRDDRELGSA-N 0 3 241.334 3.107 20 0 BGADHN C[C@@H]1C[C@@H](NCc2ccc3ccccc3c2)CO1 ZINC000402299558 350127806 /nfs/dbraw/zinc/12/78/06/350127806.db2.gz JHDODTDBSVNBFA-MLGOLLRUSA-N 0 3 241.334 3.107 20 0 BGADHN C[C@@H]1C[C@H](NCc2ccc3ccccc3c2)CO1 ZINC000402299565 350127676 /nfs/dbraw/zinc/12/76/76/350127676.db2.gz JHDODTDBSVNBFA-WBMJQRKESA-N 0 3 241.334 3.107 20 0 BGADHN C[C@H](N[C@H]1CO[C@H](C)C1)c1ccc2c(c1)CCC2 ZINC000402306847 350134830 /nfs/dbraw/zinc/13/48/30/350134830.db2.gz KLCJLHUUJQRTDW-BFQNTYOBSA-N 0 3 245.366 3.003 20 0 BGADHN C[C@@H](N[C@@H]1CO[C@H](C)C1)c1ccc2c(c1)CCC2 ZINC000402306849 350134618 /nfs/dbraw/zinc/13/46/18/350134618.db2.gz KLCJLHUUJQRTDW-HSMVNMDESA-N 0 3 245.366 3.003 20 0 BGADHN C[C@H](N[C@@H]1CO[C@H](C)C1)c1ccc2c(c1)CCC2 ZINC000402306850 350134768 /nfs/dbraw/zinc/13/47/68/350134768.db2.gz KLCJLHUUJQRTDW-WQGACYEGSA-N 0 3 245.366 3.003 20 0 BGADHN C[C@@H](N[C@H]1CO[C@H](C)C1)c1ccc2c(c1)CCC2 ZINC000402306852 350134490 /nfs/dbraw/zinc/13/44/90/350134490.db2.gz KLCJLHUUJQRTDW-XHBSWPGZSA-N 0 3 245.366 3.003 20 0 BGADHN C[C@@H]1C[C@@H](N[C@H](c2ccc(F)cc2)C2CC2)CO1 ZINC000402323730 350172499 /nfs/dbraw/zinc/17/24/99/350172499.db2.gz MPPKOWYZTSZPBL-KMUNFCNLSA-N 0 3 249.329 3.044 20 0 BGADHN C[C@@H]1C[C@H](N[C@H](c2ccc(F)cc2)C2CC2)CO1 ZINC000402323732 350172468 /nfs/dbraw/zinc/17/24/68/350172468.db2.gz MPPKOWYZTSZPBL-ONERCXAPSA-N 0 3 249.329 3.044 20 0 BGADHN C[C@@H]1C[C@@H](N[C@@H](c2ccc(F)cc2)C2CC2)CO1 ZINC000402323735 350172752 /nfs/dbraw/zinc/17/27/52/350172752.db2.gz MPPKOWYZTSZPBL-VCTAVGKDSA-N 0 3 249.329 3.044 20 0 BGADHN C[C@@H]1C[C@H](N[C@@H](c2ccc(F)cc2)C2CC2)CO1 ZINC000402323736 350172693 /nfs/dbraw/zinc/17/26/93/350172693.db2.gz MPPKOWYZTSZPBL-WKPIXPDZSA-N 0 3 249.329 3.044 20 0 BGADHN CC(C)Cc1ccc(CN[C@@H]2CO[C@@H](C)C2)cc1 ZINC000402357556 350208891 /nfs/dbraw/zinc/20/88/91/350208891.db2.gz UMEDBDIEUUXZJJ-BBRMVZONSA-N 0 3 247.382 3.152 20 0 BGADHN CC(C)Cc1ccc(CN[C@@H]2CO[C@H](C)C2)cc1 ZINC000402357559 350208861 /nfs/dbraw/zinc/20/88/61/350208861.db2.gz UMEDBDIEUUXZJJ-CJNGLKHVSA-N 0 3 247.382 3.152 20 0 BGADHN CC(C)Cc1ccc(CN[C@H]2CO[C@H](C)C2)cc1 ZINC000402357560 350208967 /nfs/dbraw/zinc/20/89/67/350208967.db2.gz UMEDBDIEUUXZJJ-CZUORRHYSA-N 0 3 247.382 3.152 20 0 BGADHN CC(C)Cc1ccc(CN[C@H]2CO[C@@H](C)C2)cc1 ZINC000402357563 350209040 /nfs/dbraw/zinc/20/90/40/350209040.db2.gz UMEDBDIEUUXZJJ-XJKSGUPXSA-N 0 3 247.382 3.152 20 0 BGADHN CCCc1ccc([C@H](C)N[C@H]2CO[C@H](C)C2)cc1 ZINC000402370949 350227025 /nfs/dbraw/zinc/22/70/25/350227025.db2.gz YGPSLDVQEQTDPR-DVOMOZLQSA-N 0 3 247.382 3.467 20 0 BGADHN CCCc1ccc([C@H](C)N[C@H]2CO[C@@H](C)C2)cc1 ZINC000402370951 350227244 /nfs/dbraw/zinc/22/72/44/350227244.db2.gz YGPSLDVQEQTDPR-HEHGZKQESA-N 0 3 247.382 3.467 20 0 BGADHN CCCc1ccc([C@H](C)N[C@@H]2CO[C@H](C)C2)cc1 ZINC000402370953 350227337 /nfs/dbraw/zinc/22/73/37/350227337.db2.gz YGPSLDVQEQTDPR-WWGRRREGSA-N 0 3 247.382 3.467 20 0 BGADHN CCCc1ccc([C@H](C)N[C@@H]2CO[C@@H](C)C2)cc1 ZINC000402370954 350227177 /nfs/dbraw/zinc/22/71/77/350227177.db2.gz YGPSLDVQEQTDPR-XEZPLFJOSA-N 0 3 247.382 3.467 20 0 BGADHN Cc1oc2ccccc2c1CN[C@H]1CO[C@@H](C)C1 ZINC000402373555 350225554 /nfs/dbraw/zinc/22/55/54/350225554.db2.gz ZFGCMCMQEPANQU-CMPLNLGQSA-N 0 3 245.322 3.008 20 0 BGADHN Cc1oc2ccccc2c1CN[C@@H]1CO[C@@H](C)C1 ZINC000402373557 350225821 /nfs/dbraw/zinc/22/58/21/350225821.db2.gz ZFGCMCMQEPANQU-JQWIXIFHSA-N 0 3 245.322 3.008 20 0 BGADHN Cc1oc2ccccc2c1CN[C@@H]1CO[C@H](C)C1 ZINC000402373559 350225456 /nfs/dbraw/zinc/22/54/56/350225456.db2.gz ZFGCMCMQEPANQU-PWSUYJOCSA-N 0 3 245.322 3.008 20 0 BGADHN Cc1oc2ccccc2c1CN[C@H]1CO[C@H](C)C1 ZINC000402373560 350225610 /nfs/dbraw/zinc/22/56/10/350225610.db2.gz ZFGCMCMQEPANQU-ZYHUDNBSSA-N 0 3 245.322 3.008 20 0 BGADHN CC[C@@H](CNCc1ccco1)CC(F)(F)F ZINC000402632036 256532563 /nfs/dbraw/zinc/53/25/63/256532563.db2.gz CJDYJWHCNIMQJD-SECBINFHSA-N 0 3 235.249 3.348 20 0 BGADHN CC[C@H](CNCc1ccco1)CC(F)(F)F ZINC000402632039 529362396 /nfs/dbraw/zinc/36/23/96/529362396.db2.gz CJDYJWHCNIMQJD-VIFPVBQESA-N 0 3 235.249 3.348 20 0 BGADHN Clc1cnccc1CN[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403169594 350036705 /nfs/dbraw/zinc/03/67/05/350036705.db2.gz CIGBEMXTJHXYDS-YUSALJHKSA-N 0 3 236.746 3.013 20 0 BGADHN Clc1cnccc1CN[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403169598 350036497 /nfs/dbraw/zinc/03/64/97/350036497.db2.gz CIGBEMXTJHXYDS-ZMLRMANQSA-N 0 3 236.746 3.013 20 0 BGADHN C[C@H](NC[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc(F)cn1 ZINC000403201299 323000179 /nfs/dbraw/zinc/00/01/79/323000179.db2.gz FTUBQOZOIJYVBL-LOWDOPEQSA-N 0 3 248.345 3.308 20 0 BGADHN C[C@H](NC[C@@H]1CC[C@H]2C[C@H]2C1)c1ccc(F)cn1 ZINC000403201303 323000183 /nfs/dbraw/zinc/00/01/83/323000183.db2.gz FTUBQOZOIJYVBL-QNWHQSFQSA-N 0 3 248.345 3.308 20 0 BGADHN C[C@H](N[C@@H]1CC[C@H]2C[C@H]2C1)c1ccc(F)cn1 ZINC000403341729 411340817 /nfs/dbraw/zinc/34/08/17/411340817.db2.gz UKUGNLSAWICKOO-MRBYEJRBSA-N 0 3 234.318 3.060 20 0 BGADHN C[C@H](N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc(F)cn1 ZINC000403341736 411340887 /nfs/dbraw/zinc/34/08/87/411340887.db2.gz UKUGNLSAWICKOO-SBFPOUOMSA-N 0 3 234.318 3.060 20 0 BGADHN Cc1nc([C@H](C)N[C@@H]2CC[C@@H]3C[C@@H]3C2)cs1 ZINC000403367430 384642447 /nfs/dbraw/zinc/64/24/47/384642447.db2.gz LYBOQKAJQLKNLR-JTLRNRKASA-N 0 3 236.384 3.291 20 0 BGADHN Cc1nc([C@H](C)N[C@@H]2CC[C@H]3C[C@H]3C2)cs1 ZINC000403367433 384643309 /nfs/dbraw/zinc/64/33/09/384643309.db2.gz LYBOQKAJQLKNLR-PDEGPIFNSA-N 0 3 236.384 3.291 20 0 BGADHN Fc1ccc(F)c(CN[C@@H]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000403371501 384644402 /nfs/dbraw/zinc/64/44/02/384644402.db2.gz CTNVCKGWLOLCBJ-GIPNMCIBSA-N 0 3 237.293 3.243 20 0 BGADHN Fc1ccc(F)c(CN[C@@H]2CC[C@H]3C[C@H]3C2)c1 ZINC000403371512 384644517 /nfs/dbraw/zinc/64/45/17/384644517.db2.gz CTNVCKGWLOLCBJ-OUJBWJOFSA-N 0 3 237.293 3.243 20 0 BGADHN Cc1noc(C)c1[C@H](C)NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403395488 488123133 /nfs/dbraw/zinc/12/31/33/488123133.db2.gz STJDPPZVJYBENO-GSVCSZOMSA-N 0 3 248.370 3.378 20 0 BGADHN Cc1noc(C)c1[C@H](C)NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403395499 488123031 /nfs/dbraw/zinc/12/30/31/488123031.db2.gz STJDPPZVJYBENO-VKKKGTNTSA-N 0 3 248.370 3.378 20 0 BGADHN Fc1cccc(F)c1CN[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403412376 384653882 /nfs/dbraw/zinc/65/38/82/384653882.db2.gz KSJMLVYMMYNKHE-GARJFASQSA-N 0 3 237.293 3.243 20 0 BGADHN Fc1cccc(F)c1CN[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403412378 384652520 /nfs/dbraw/zinc/65/25/20/384652520.db2.gz KSJMLVYMMYNKHE-GMTAPVOTSA-N 0 3 237.293 3.243 20 0 BGADHN CCc1nc(C)c(CNC[C@@H]2CC[C@H]3C[C@H]3C2)o1 ZINC000403416518 384656063 /nfs/dbraw/zinc/65/60/63/384656063.db2.gz WPXJVVVSVKEABV-FRRDWIJNSA-N 0 3 248.370 3.071 20 0 BGADHN CCc1nc(C)c(CNC[C@@H]2CC[C@@H]3C[C@@H]3C2)o1 ZINC000403416525 388407117 /nfs/dbraw/zinc/40/71/17/388407117.db2.gz WPXJVVVSVKEABV-UPJWGTAASA-N 0 3 248.370 3.071 20 0 BGADHN Fc1cccc(CN[C@@H]2CC[C@@H]3C[C@@H]3C2)c1F ZINC000403480196 398344026 /nfs/dbraw/zinc/34/40/26/398344026.db2.gz RLTGCFLYWDVJHQ-YUSALJHKSA-N 0 3 237.293 3.243 20 0 BGADHN Fc1cccc(CN[C@@H]2CC[C@H]3C[C@H]3C2)c1F ZINC000403480197 386225480 /nfs/dbraw/zinc/22/54/80/386225480.db2.gz RLTGCFLYWDVJHQ-ZMLRMANQSA-N 0 3 237.293 3.243 20 0 BGADHN Fc1ccc(CN[C@@H]2CC[C@@H]3C[C@@H]3C2)c(F)c1 ZINC000403488620 384699638 /nfs/dbraw/zinc/69/96/38/384699638.db2.gz UVVJUMVADPESFW-IRUJWGPZSA-N 0 3 237.293 3.243 20 0 BGADHN Fc1ccc(CN[C@@H]2CC[C@H]3C[C@H]3C2)c(F)c1 ZINC000403488626 384701164 /nfs/dbraw/zinc/70/11/64/384701164.db2.gz UVVJUMVADPESFW-XHVZSJERSA-N 0 3 237.293 3.243 20 0 BGADHN Cc1ccc(CNC[C@@H]2CC[C@H]3C[C@H]3C2)o1 ZINC000403564223 384474821 /nfs/dbraw/zinc/47/48/21/384474821.db2.gz WARKLOBTLDGILK-FRRDWIJNSA-N 0 3 219.328 3.114 20 0 BGADHN Cc1ccc(CNC[C@@H]2CC[C@@H]3C[C@@H]3C2)o1 ZINC000403564226 322921922 /nfs/dbraw/zinc/92/19/22/322921922.db2.gz WARKLOBTLDGILK-UPJWGTAASA-N 0 3 219.328 3.114 20 0 BGADHN C[C@H](NC[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cscn1 ZINC000403632022 488130498 /nfs/dbraw/zinc/13/04/98/488130498.db2.gz FJFPMIIXIRPXKF-QCNOEVLYSA-N 0 3 236.384 3.230 20 0 BGADHN C[C@H](NC[C@@H]1CC[C@H]2C[C@H]2C1)c1cscn1 ZINC000403632029 488130513 /nfs/dbraw/zinc/13/05/13/488130513.db2.gz FJFPMIIXIRPXKF-WHOHXGKFSA-N 0 3 236.384 3.230 20 0 BGADHN Clc1cnc(CN[C@@H]2CC[C@@H]3C[C@@H]3C2)s1 ZINC000403633690 384847965 /nfs/dbraw/zinc/84/79/65/384847965.db2.gz FXSAIJKWNHOYCI-IWSPIJDZSA-N 0 3 242.775 3.075 20 0 BGADHN Clc1cnc(CN[C@@H]2CC[C@H]3C[C@H]3C2)s1 ZINC000403633691 384846443 /nfs/dbraw/zinc/84/64/43/384846443.db2.gz FXSAIJKWNHOYCI-XHNCKOQMSA-N 0 3 242.775 3.075 20 0 BGADHN Clc1ccc(CN[C@@H]2CC[C@H]3C[C@H]3C2)o1 ZINC000403636864 384847529 /nfs/dbraw/zinc/84/75/29/384847529.db2.gz GNXCUSUKSOSORP-LPEHRKFASA-N 0 3 225.719 3.211 20 0 BGADHN Clc1ccc(CN[C@@H]2CC[C@@H]3C[C@@H]3C2)o1 ZINC000403636867 388412210 /nfs/dbraw/zinc/41/22/10/388412210.db2.gz GNXCUSUKSOSORP-OPRDCNLKSA-N 0 3 225.719 3.211 20 0 BGADHN C[C@H](NC[C@@H]1CC[C@@H]2C[C@@H]2C1)c1nccs1 ZINC000403651168 488131660 /nfs/dbraw/zinc/13/16/60/488131660.db2.gz JSRCZTWHHZWEOC-QCNOEVLYSA-N 0 3 236.384 3.230 20 0 BGADHN C[C@H](NC[C@@H]1CC[C@H]2C[C@H]2C1)c1nccs1 ZINC000403651184 488131014 /nfs/dbraw/zinc/13/10/14/488131014.db2.gz JSRCZTWHHZWEOC-WHOHXGKFSA-N 0 3 236.384 3.230 20 0 BGADHN Clc1ccc(CNC[C@@H]2CC[C@@H]3C[C@@H]3C2)o1 ZINC000403654348 322960476 /nfs/dbraw/zinc/96/04/76/322960476.db2.gz KJQLWFVJQZTUMG-MXWKQRLJSA-N 0 3 239.746 3.459 20 0 BGADHN Clc1ccc(CNC[C@@H]2CC[C@H]3C[C@H]3C2)o1 ZINC000403654354 384835982 /nfs/dbraw/zinc/83/59/82/384835982.db2.gz KJQLWFVJQZTUMG-OUAUKWLOSA-N 0 3 239.746 3.459 20 0 BGADHN COc1cccc(CN[C@@H]2CC[C@@H]3C[C@@H]3C2)c1F ZINC000403721515 384856520 /nfs/dbraw/zinc/85/65/20/384856520.db2.gz IASPGTAAMYUMPD-RAIGVLPGSA-N 0 3 249.329 3.113 20 0 BGADHN COc1cccc(CN[C@@H]2CC[C@H]3C[C@H]3C2)c1F ZINC000403721522 384858257 /nfs/dbraw/zinc/85/82/57/384858257.db2.gz IASPGTAAMYUMPD-WCFLWFBJSA-N 0 3 249.329 3.113 20 0 BGADHN CCc1ccc(CN[C@@H]2CC[C@@H]3C[C@@H]3C2)o1 ZINC000403809619 384865882 /nfs/dbraw/zinc/86/58/82/384865882.db2.gz HRRHYQSBSWCSLY-IJLUTSLNSA-N 0 3 219.328 3.120 20 0 BGADHN CCc1ccc(CN[C@@H]2CC[C@H]3C[C@H]3C2)o1 ZINC000403809624 384864245 /nfs/dbraw/zinc/86/42/45/384864245.db2.gz HRRHYQSBSWCSLY-SDDRHHMPSA-N 0 3 219.328 3.120 20 0 BGADHN CC(C)C1CCC(NCc2ccns2)CC1 ZINC000404292561 363058535 /nfs/dbraw/zinc/05/85/35/363058535.db2.gz MAYXJNSPQPFMJR-UHFFFAOYSA-N 0 3 238.400 3.448 20 0 BGADHN c1cc(CNC2CC(c3ccccc3)C2)sn1 ZINC000404320840 351375133 /nfs/dbraw/zinc/37/51/33/351375133.db2.gz QPJWKQTXWNQJSQ-UHFFFAOYSA-N 0 3 244.363 3.179 20 0 BGADHN CC1(C)CCC(NCc2ccns2)CC1 ZINC000404413437 351431605 /nfs/dbraw/zinc/43/16/05/351431605.db2.gz AYQOTKQXHGCOGL-UHFFFAOYSA-N 0 3 224.373 3.202 20 0 BGADHN c1cc(CNCCC2=CCCCC2)sn1 ZINC000404413939 384981990 /nfs/dbraw/zinc/98/19/90/384981990.db2.gz LRTFMFMTVQFYIF-UHFFFAOYSA-N 0 3 222.357 3.123 20 0 BGADHN CCC1(CNCc2ccns2)CCCC1 ZINC000404414232 384982395 /nfs/dbraw/zinc/98/23/95/384982395.db2.gz BRZKLAUZWHFIMR-UHFFFAOYSA-N 0 3 224.373 3.203 20 0 BGADHN c1cc(CNCCCC2CCCC2)sn1 ZINC000404416583 384981901 /nfs/dbraw/zinc/98/19/01/384981901.db2.gz DVIDBRJIPJYDHG-UHFFFAOYSA-N 0 3 224.373 3.203 20 0 BGADHN CC[C@H](Cc1ccccc1)NCc1ccns1 ZINC000404423718 351440212 /nfs/dbraw/zinc/44/02/12/351440212.db2.gz KASCWENJWQJWNJ-CYBMUJFWSA-N 0 3 246.379 3.254 20 0 BGADHN CC[C@@H](Cc1ccccc1)NCc1ccns1 ZINC000404423719 351440175 /nfs/dbraw/zinc/44/01/75/351440175.db2.gz KASCWENJWQJWNJ-ZDUSSCGKSA-N 0 3 246.379 3.254 20 0 BGADHN Cc1cc(CNCC2=CCCCC2)sn1 ZINC000404426549 384993145 /nfs/dbraw/zinc/99/31/45/384993145.db2.gz IKFZFKMFIWNMDF-UHFFFAOYSA-N 0 3 222.357 3.042 20 0 BGADHN CC(C)(CCNCc1ccns1)C1CC1 ZINC000404427500 398085312 /nfs/dbraw/zinc/08/53/12/398085312.db2.gz FCHCRQGEMHMINV-UHFFFAOYSA-N 0 3 224.373 3.059 20 0 BGADHN CC(C)CCC[C@@H](C)NCc1ccns1 ZINC000404428124 351440971 /nfs/dbraw/zinc/44/09/71/351440971.db2.gz FVHVYOYYVJBTJB-LLVKDONJSA-N 0 3 226.389 3.448 20 0 BGADHN CC(C)CCC[C@H](C)NCc1ccns1 ZINC000404428125 351440529 /nfs/dbraw/zinc/44/05/29/351440529.db2.gz FVHVYOYYVJBTJB-NSHDSACASA-N 0 3 226.389 3.448 20 0 BGADHN Cc1cc(CN[C@@H]2CC23CCCCC3)sn1 ZINC000404428497 384995318 /nfs/dbraw/zinc/99/53/18/384995318.db2.gz GADQCWGSPJIMLG-GFCCVEGCSA-N 0 3 236.384 3.264 20 0 BGADHN Cc1cc(CN[C@H]2CC23CCCCC3)sn1 ZINC000404428498 384787587 /nfs/dbraw/zinc/78/75/87/384787587.db2.gz GADQCWGSPJIMLG-LBPRGKRZSA-N 0 3 236.384 3.264 20 0 BGADHN C[C@H](CC(C)(C)C)NCc1ccns1 ZINC000404429881 351440717 /nfs/dbraw/zinc/44/07/17/351440717.db2.gz HPXZLZWZTANIRB-SECBINFHSA-N 0 3 212.362 3.057 20 0 BGADHN C[C@@H](CC(C)(C)C)NCc1ccns1 ZINC000404429883 351440757 /nfs/dbraw/zinc/44/07/57/351440757.db2.gz HPXZLZWZTANIRB-VIFPVBQESA-N 0 3 212.362 3.057 20 0 BGADHN Cc1cc(CNCCc2ccccc2C)sn1 ZINC000404431479 384987992 /nfs/dbraw/zinc/98/79/92/384987992.db2.gz BHIMXEHLNYHQPP-UHFFFAOYSA-N 0 3 246.379 3.092 20 0 BGADHN c1cc(CNCCC2CCCCC2)sn1 ZINC000404434360 384994706 /nfs/dbraw/zinc/99/47/06/384994706.db2.gz PWGMQVKEXFPQDW-UHFFFAOYSA-N 0 3 224.373 3.203 20 0 BGADHN CC(C)(CNCc1ccns1)C1CCC1 ZINC000404438288 384987695 /nfs/dbraw/zinc/98/76/95/384987695.db2.gz DZFIZXTVQNGRKR-UHFFFAOYSA-N 0 3 224.373 3.059 20 0 BGADHN CC1(CNCc2ccns2)CCCCC1 ZINC000404438529 384987438 /nfs/dbraw/zinc/98/74/38/384987438.db2.gz UNASWNNDELEASA-UHFFFAOYSA-N 0 3 224.373 3.203 20 0 BGADHN CC(C)CC1(CNCc2ccns2)CC1 ZINC000404442485 385005405 /nfs/dbraw/zinc/00/54/05/385005405.db2.gz IJNSUHWVPUJGHQ-UHFFFAOYSA-N 0 3 224.373 3.059 20 0 BGADHN Cc1cc(CNCCCc2ccccc2)sn1 ZINC000404443233 385006703 /nfs/dbraw/zinc/00/67/03/385006703.db2.gz LUKDNHOEJBJCPP-UHFFFAOYSA-N 0 3 246.379 3.174 20 0 BGADHN FC1(F)CCC[C@@H](CNCc2ccns2)C1 ZINC000404448138 384996677 /nfs/dbraw/zinc/99/66/77/384996677.db2.gz XVMGTSOSXDRSEU-SECBINFHSA-N 0 3 246.326 3.058 20 0 BGADHN FC1(F)CCC[C@H](CNCc2ccns2)C1 ZINC000404448142 384996152 /nfs/dbraw/zinc/99/61/52/384996152.db2.gz XVMGTSOSXDRSEU-VIFPVBQESA-N 0 3 246.326 3.058 20 0 BGADHN CSCCCCCNCc1cc(C)ns1 ZINC000404448712 369429542 /nfs/dbraw/zinc/42/95/42/369429542.db2.gz FEFISNHLBFFRJI-UHFFFAOYSA-N 0 3 244.429 3.074 20 0 BGADHN Cc1cc(CNCCc2cccc(C)c2)sn1 ZINC000404452818 384998630 /nfs/dbraw/zinc/99/86/30/384998630.db2.gz SMLYCDNMGFOROH-UHFFFAOYSA-N 0 3 246.379 3.092 20 0 BGADHN C[C@H](CCc1ccccc1)NCc1ccns1 ZINC000404453348 385884467 /nfs/dbraw/zinc/88/44/67/385884467.db2.gz HYLMOPCIZXBAAT-GFCCVEGCSA-N 0 3 246.379 3.254 20 0 BGADHN C[C@@H](CCc1ccccc1)NCc1ccns1 ZINC000404453351 385884755 /nfs/dbraw/zinc/88/47/55/385884755.db2.gz HYLMOPCIZXBAAT-LBPRGKRZSA-N 0 3 246.379 3.254 20 0 BGADHN Cc1ccccc1C[C@@H](C)NCc1ccns1 ZINC000404453416 385884160 /nfs/dbraw/zinc/88/41/60/385884160.db2.gz IATWMBVFRDCBOU-GFCCVEGCSA-N 0 3 246.379 3.172 20 0 BGADHN Cc1ccccc1C[C@H](C)NCc1ccns1 ZINC000404453418 385884454 /nfs/dbraw/zinc/88/44/54/385884454.db2.gz IATWMBVFRDCBOU-LBPRGKRZSA-N 0 3 246.379 3.172 20 0 BGADHN Cc1cc(CNCCC2CCCC2)sn1 ZINC000404453954 384999343 /nfs/dbraw/zinc/99/93/43/384999343.db2.gz IKWUXKKCMTXVSD-UHFFFAOYSA-N 0 3 224.373 3.121 20 0 BGADHN C[C@@H](CCC(C)(C)C)NCc1ccns1 ZINC000404456165 487642869 /nfs/dbraw/zinc/64/28/69/487642869.db2.gz PNTDVKDGQOGWIB-JTQLQIEISA-N 0 3 226.389 3.448 20 0 BGADHN C[C@H](CCC(C)(C)C)NCc1ccns1 ZINC000404456166 487642959 /nfs/dbraw/zinc/64/29/59/487642959.db2.gz PNTDVKDGQOGWIB-SNVBAGLBSA-N 0 3 226.389 3.448 20 0 BGADHN C[C@H](CNCc1ccns1)c1ccccc1 ZINC000404462107 385011549 /nfs/dbraw/zinc/01/15/49/385011549.db2.gz PIGLOCCPMBLDNI-LLVKDONJSA-N 0 3 232.352 3.036 20 0 BGADHN C[C@@H](CNCc1ccns1)c1ccccc1 ZINC000404462109 385010527 /nfs/dbraw/zinc/01/05/27/385010527.db2.gz PIGLOCCPMBLDNI-NSHDSACASA-N 0 3 232.352 3.036 20 0 BGADHN CC(C)(C)C(C)(C)CNCc1ccns1 ZINC000404463944 388420923 /nfs/dbraw/zinc/42/09/23/388420923.db2.gz VXNUMQFAFRJXGS-UHFFFAOYSA-N 0 3 226.389 3.305 20 0 BGADHN CCCC1(CNCc2cc(C)ns2)CC1 ZINC000404464422 385014531 /nfs/dbraw/zinc/01/45/31/385014531.db2.gz RGNDSRNPYRXRNE-UHFFFAOYSA-N 0 3 224.373 3.121 20 0 BGADHN CCSCC[C@@H](C)NCc1cc(C)ns1 ZINC000404465125 369429221 /nfs/dbraw/zinc/42/92/21/369429221.db2.gz RXPIFXWKHDEWJO-SECBINFHSA-N 0 3 244.429 3.073 20 0 BGADHN CCSCC[C@H](C)NCc1cc(C)ns1 ZINC000404465127 369429423 /nfs/dbraw/zinc/42/94/23/369429423.db2.gz RXPIFXWKHDEWJO-VIFPVBQESA-N 0 3 244.429 3.073 20 0 BGADHN CCC(CC)(CC)CNCc1ccns1 ZINC000404466583 385014563 /nfs/dbraw/zinc/01/45/63/385014563.db2.gz XTESWRJJAROPTF-UHFFFAOYSA-N 0 3 226.389 3.449 20 0 BGADHN Cc1cc(CN[C@H](C)CCC2CC2)sn1 ZINC000404467505 388421482 /nfs/dbraw/zinc/42/14/82/388421482.db2.gz NHRPWSCPXPYXDW-SECBINFHSA-N 0 3 224.373 3.120 20 0 BGADHN Cc1cc(CN[C@@H](C)CCC2CC2)sn1 ZINC000404467506 385013311 /nfs/dbraw/zinc/01/33/11/385013311.db2.gz NHRPWSCPXPYXDW-VIFPVBQESA-N 0 3 224.373 3.120 20 0 BGADHN FC1(F)CCCC[C@@H]1CNCc1ccns1 ZINC000404468706 385014008 /nfs/dbraw/zinc/01/40/08/385014008.db2.gz YYEXVJVPRIECFZ-SECBINFHSA-N 0 3 246.326 3.058 20 0 BGADHN FC1(F)CCCC[C@H]1CNCc1ccns1 ZINC000404468707 385012723 /nfs/dbraw/zinc/01/27/23/385012723.db2.gz YYEXVJVPRIECFZ-VIFPVBQESA-N 0 3 246.326 3.058 20 0 BGADHN C[C@H](CCNCc1ccns1)c1ccccc1 ZINC000404473831 385007491 /nfs/dbraw/zinc/00/74/91/385007491.db2.gz UJPNKAGXLMSKBL-GFCCVEGCSA-N 0 3 246.379 3.427 20 0 BGADHN C[C@@H](CCNCc1ccns1)c1ccccc1 ZINC000404473834 385010404 /nfs/dbraw/zinc/01/04/04/385010404.db2.gz UJPNKAGXLMSKBL-LBPRGKRZSA-N 0 3 246.379 3.427 20 0 BGADHN CC(C)(CNCc1ccns1)c1ccccc1 ZINC000404474822 351472423 /nfs/dbraw/zinc/47/24/23/351472423.db2.gz VLJJZMOHZOXVMT-UHFFFAOYSA-N 0 3 246.379 3.211 20 0 BGADHN CCCC1(CNCc2ccns2)CCC1 ZINC000404481210 385017333 /nfs/dbraw/zinc/01/73/33/385017333.db2.gz WUAHOABRYBNYQR-UHFFFAOYSA-N 0 3 224.373 3.203 20 0 BGADHN CC(C)CC[C@H](C)NCc1ccns1 ZINC000404486151 351479280 /nfs/dbraw/zinc/47/92/80/351479280.db2.gz KYAYGRQGOPCYDL-JTQLQIEISA-N 0 3 212.362 3.057 20 0 BGADHN CC(C)CC[C@@H](C)NCc1ccns1 ZINC000404486152 351478728 /nfs/dbraw/zinc/47/87/28/351478728.db2.gz KYAYGRQGOPCYDL-SNVBAGLBSA-N 0 3 212.362 3.057 20 0 BGADHN Cc1cc(CNCCC2=CCCCC2)sn1 ZINC000404486940 385019648 /nfs/dbraw/zinc/01/96/48/385019648.db2.gz MOEFRMCOKJCZJF-UHFFFAOYSA-N 0 3 236.384 3.432 20 0 BGADHN Cc1cc(CNCc2sccc2C)sn1 ZINC000404494938 385020458 /nfs/dbraw/zinc/02/04/58/385020458.db2.gz PAARBEFJEBZIEE-UHFFFAOYSA-N 0 3 238.381 3.111 20 0 BGADHN CC(C)(C)C(C)(C)NCc1ccns1 ZINC000404497605 385019902 /nfs/dbraw/zinc/01/99/02/385019902.db2.gz SVLPSZOONLPYDU-UHFFFAOYSA-N 0 3 212.362 3.057 20 0 BGADHN CC[C@@H](C)C[C@@H](C)NCc1ccns1 ZINC000404502459 385024816 /nfs/dbraw/zinc/02/48/16/385024816.db2.gz ZANMUHHNSJKOPI-NXEZZACHSA-N 0 3 212.362 3.057 20 0 BGADHN CC[C@H](C)C[C@H](C)NCc1ccns1 ZINC000404502461 385024577 /nfs/dbraw/zinc/02/45/77/385024577.db2.gz ZANMUHHNSJKOPI-UWVGGRQHSA-N 0 3 212.362 3.057 20 0 BGADHN CC[C@H](C)C[C@@H](C)NCc1ccns1 ZINC000404502463 385025854 /nfs/dbraw/zinc/02/58/54/385025854.db2.gz ZANMUHHNSJKOPI-VHSXEESVSA-N 0 3 212.362 3.057 20 0 BGADHN CC[C@@H](C)C[C@H](C)NCc1ccns1 ZINC000404502465 385023563 /nfs/dbraw/zinc/02/35/63/385023563.db2.gz ZANMUHHNSJKOPI-ZJUUUORDSA-N 0 3 212.362 3.057 20 0 BGADHN c1cc(CNCCCCc2ccccc2)sn1 ZINC000404514003 385023281 /nfs/dbraw/zinc/02/32/81/385023281.db2.gz RFWSWUBYPWUQRN-UHFFFAOYSA-N 0 3 246.379 3.256 20 0 BGADHN CC(C)(C)CCCNCc1ccns1 ZINC000404517213 385025896 /nfs/dbraw/zinc/02/58/96/385025896.db2.gz WXJXNXGHTUUYOS-UHFFFAOYSA-N 0 3 212.362 3.059 20 0 BGADHN CC(C)(CNCc1ccns1)C1=CCCC1 ZINC000404517750 385025270 /nfs/dbraw/zinc/02/52/70/385025270.db2.gz XJRPJNZYPPTZEO-UHFFFAOYSA-N 0 3 236.384 3.369 20 0 BGADHN COCCNCc1ccc(-c2cccs2)cc1 ZINC000404819022 488179181 /nfs/dbraw/zinc/17/91/81/488179181.db2.gz MOYQTSFAEHYQNH-UHFFFAOYSA-N 0 3 247.363 3.151 20 0 BGADHN Cc1nc(C)c(CNCCC(C)(C)C2CC2)o1 ZINC000405937603 388496444 /nfs/dbraw/zinc/49/64/44/388496444.db2.gz BSEHPCXORPFSOO-UHFFFAOYSA-N 0 3 236.359 3.207 20 0 BGADHN CC(C)(CCOc1ccccc1CN)C1CC1 ZINC000406074526 411451689 /nfs/dbraw/zinc/45/16/89/411451689.db2.gz PVBLJHWNUJKOFN-UHFFFAOYSA-N 0 3 233.355 3.350 20 0 BGADHN Fc1ccc(F)c(CN[C@H]2CCC[C@H]3C[C@H]32)c1 ZINC000408510704 323047109 /nfs/dbraw/zinc/04/71/09/323047109.db2.gz YOWGHWABKOYULR-BHYNMZESSA-N 0 3 237.293 3.243 20 0 BGADHN CCC(CC)CN(C)CCC(F)(F)F ZINC000409444274 191010393 /nfs/dbraw/zinc/01/03/93/191010393.db2.gz LZRKKODPXNASHW-UHFFFAOYSA-N 0 3 211.271 3.307 20 0 BGADHN CCC(CC)CN(C)Cc1occc1C ZINC000409444462 191011300 /nfs/dbraw/zinc/01/13/00/191011300.db2.gz GKQWVZVLBOJFIF-UHFFFAOYSA-N 0 3 209.333 3.456 20 0 BGADHN CC[C@@H](C)CN(C)Cc1cc(C)ccc1OC ZINC000409444939 191015329 /nfs/dbraw/zinc/01/53/29/191015329.db2.gz MOESHRCPOKOFLQ-GFCCVEGCSA-N 0 3 235.371 3.482 20 0 BGADHN CC[C@H](C)CN(C)Cc1cc(C)ccc1OC ZINC000409444940 191015425 /nfs/dbraw/zinc/01/54/25/191015425.db2.gz MOESHRCPOKOFLQ-LBPRGKRZSA-N 0 3 235.371 3.482 20 0 BGADHN CC(C)(C)OCCN1CC=C(C(C)(C)C)CC1 ZINC000409444999 191014237 /nfs/dbraw/zinc/01/42/37/191014237.db2.gz JXIVFKIADLJNQL-UHFFFAOYSA-N 0 3 239.403 3.480 20 0 BGADHN CC(C)(C)C1=CCN(C[C@@H]2CCCCO2)CC1 ZINC000409445002 191015523 /nfs/dbraw/zinc/01/55/23/191015523.db2.gz ULLOMDBWFFTKHD-AWEZNQCLSA-N 0 3 237.387 3.234 20 0 BGADHN CC(C)(C)C1=CCN(C[C@H]2CCCCO2)CC1 ZINC000409445003 191014637 /nfs/dbraw/zinc/01/46/37/191014637.db2.gz ULLOMDBWFFTKHD-CQSZACIVSA-N 0 3 237.387 3.234 20 0 BGADHN CC(C)COCCN1CC=C(C(C)(C)C)CC1 ZINC000409445022 191014457 /nfs/dbraw/zinc/01/44/57/191014457.db2.gz BKNDHHVTVCBYLR-UHFFFAOYSA-N 0 3 239.403 3.337 20 0 BGADHN CC(C)SCCN1CC[C@H]1Cc1ccccc1 ZINC000409445086 191015441 /nfs/dbraw/zinc/01/54/41/191015441.db2.gz QGRUOEQCDGTKPI-HNNXBMFYSA-N 0 3 249.423 3.445 20 0 BGADHN CC(C)SCCN1CC[C@@H]1Cc1ccccc1 ZINC000409445087 191015451 /nfs/dbraw/zinc/01/54/51/191015451.db2.gz QGRUOEQCDGTKPI-OAHLLOKOSA-N 0 3 249.423 3.445 20 0 BGADHN CCC(CC)CN1CCO[C@H](c2ccccc2)C1 ZINC000409445270 191013631 /nfs/dbraw/zinc/01/36/31/191013631.db2.gz KZNXWVVJBBUKDV-INIZCTEOSA-N 0 3 247.382 3.496 20 0 BGADHN CCC(CC)CN1CCO[C@@H](c2ccccc2)C1 ZINC000409445271 191012980 /nfs/dbraw/zinc/01/29/80/191012980.db2.gz KZNXWVVJBBUKDV-MRXNPFEDSA-N 0 3 247.382 3.496 20 0 BGADHN CCC(CC)CN1CCOC[C@H]1c1ccccc1 ZINC000409445283 191013063 /nfs/dbraw/zinc/01/30/63/191013063.db2.gz YXDWMROIDRYXLQ-INIZCTEOSA-N 0 3 247.382 3.496 20 0 BGADHN CCC(CC)CN1CCOC[C@@H]1c1ccccc1 ZINC000409445284 191013823 /nfs/dbraw/zinc/01/38/23/191013823.db2.gz YXDWMROIDRYXLQ-MRXNPFEDSA-N 0 3 247.382 3.496 20 0 BGADHN CC[C@H](C)CN1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000409445310 191013906 /nfs/dbraw/zinc/01/39/06/191013906.db2.gz FURCLMMDLOELHG-DZKIICNBSA-N 0 3 247.382 3.495 20 0 BGADHN CC[C@H](C)CN1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000409445311 191013033 /nfs/dbraw/zinc/01/30/33/191013033.db2.gz FURCLMMDLOELHG-LZWOXQAQSA-N 0 3 247.382 3.495 20 0 BGADHN CC[C@H](C)CN1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000409445312 191013104 /nfs/dbraw/zinc/01/31/04/191013104.db2.gz FURCLMMDLOELHG-OFQRWUPVSA-N 0 3 247.382 3.495 20 0 BGADHN CC[C@H](C)CN1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000409445313 191013937 /nfs/dbraw/zinc/01/39/37/191013937.db2.gz FURCLMMDLOELHG-SQWLQELKSA-N 0 3 247.382 3.495 20 0 BGADHN CC[C@H](C)CN1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000409445352 191013723 /nfs/dbraw/zinc/01/37/23/191013723.db2.gz OZAHBDVINVPGIC-DZKIICNBSA-N 0 3 247.382 3.495 20 0 BGADHN CC[C@H](C)CN1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000409445353 191013162 /nfs/dbraw/zinc/01/31/62/191013162.db2.gz OZAHBDVINVPGIC-LZWOXQAQSA-N 0 3 247.382 3.495 20 0 BGADHN CC[C@H](C)CN1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000409445354 191012674 /nfs/dbraw/zinc/01/26/74/191012674.db2.gz OZAHBDVINVPGIC-OFQRWUPVSA-N 0 3 247.382 3.495 20 0 BGADHN CC[C@H](C)CN1C[C@H](c2ccccc2)OC[C@H]1C ZINC000409445355 191012967 /nfs/dbraw/zinc/01/29/67/191012967.db2.gz OZAHBDVINVPGIC-SQWLQELKSA-N 0 3 247.382 3.495 20 0 BGADHN CC[C@H](C)CN1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000409445364 191012907 /nfs/dbraw/zinc/01/29/07/191012907.db2.gz RLDKNOQXCGCEFS-DZKIICNBSA-N 0 3 247.382 3.495 20 0 BGADHN CC[C@H](C)CN1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000409445365 191013025 /nfs/dbraw/zinc/01/30/25/191013025.db2.gz RLDKNOQXCGCEFS-LZWOXQAQSA-N 0 3 247.382 3.495 20 0 BGADHN CC[C@H](C)CN1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000409445366 191013406 /nfs/dbraw/zinc/01/34/06/191013406.db2.gz RLDKNOQXCGCEFS-OFQRWUPVSA-N 0 3 247.382 3.495 20 0 BGADHN CC[C@H](C)CN1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000409445367 191013751 /nfs/dbraw/zinc/01/37/51/191013751.db2.gz RLDKNOQXCGCEFS-SQWLQELKSA-N 0 3 247.382 3.495 20 0 BGADHN C([C@H]1CCC2(CCCCC2)O1)N1C[C@H]2CCC[C@@H]21 ZINC000409445432 191015306 /nfs/dbraw/zinc/01/53/06/191015306.db2.gz DRJXUHCYHXWBMG-KFWWJZLASA-N 0 3 249.398 3.353 20 0 BGADHN C([C@H]1CCC2(CCCCC2)O1)N1C[C@H]2CCC[C@H]21 ZINC000409445433 191015256 /nfs/dbraw/zinc/01/52/56/191015256.db2.gz DRJXUHCYHXWBMG-RBSFLKMASA-N 0 3 249.398 3.353 20 0 BGADHN C([C@H]1CCC2(CCCCC2)O1)N1C[C@@H]2CCC[C@H]21 ZINC000409445434 191014834 /nfs/dbraw/zinc/01/48/34/191014834.db2.gz DRJXUHCYHXWBMG-RRFJBIMHSA-N 0 3 249.398 3.353 20 0 BGADHN C([C@H]1CCC2(CCCCC2)O1)N1C[C@@H]2CCC[C@@H]21 ZINC000409445435 191015591 /nfs/dbraw/zinc/01/55/91/191015591.db2.gz DRJXUHCYHXWBMG-ZNMIVQPWSA-N 0 3 249.398 3.353 20 0 BGADHN C([C@@H]1CCC2(CCCCC2)O1)N1CCC12CCC2 ZINC000409445474 191014539 /nfs/dbraw/zinc/01/45/39/191014539.db2.gz RKRFCHUYYPQNLD-AWEZNQCLSA-N 0 3 249.398 3.497 20 0 BGADHN C([C@H]1CCC2(CCCCC2)O1)N1CCC12CCC2 ZINC000409445475 191014803 /nfs/dbraw/zinc/01/48/03/191014803.db2.gz RKRFCHUYYPQNLD-CQSZACIVSA-N 0 3 249.398 3.497 20 0 BGADHN CC(C)COCCN1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000409445529 191014907 /nfs/dbraw/zinc/01/49/07/191014907.db2.gz VCEHQSDADMEDSJ-GDBMZVCRSA-N 0 3 247.382 3.352 20 0 BGADHN CC(C)COCCN1C[C@H](C)[C@@H]1c1ccccc1 ZINC000409445530 191015203 /nfs/dbraw/zinc/01/52/03/191015203.db2.gz VCEHQSDADMEDSJ-GOEBONIOSA-N 0 3 247.382 3.352 20 0 BGADHN CC(C)COCCN1C[C@H](C)[C@H]1c1ccccc1 ZINC000409445531 191015492 /nfs/dbraw/zinc/01/54/92/191015492.db2.gz VCEHQSDADMEDSJ-HOCLYGCPSA-N 0 3 247.382 3.352 20 0 BGADHN CC(C)COCCN1C[C@@H](C)[C@H]1c1ccccc1 ZINC000409445532 191015469 /nfs/dbraw/zinc/01/54/69/191015469.db2.gz VCEHQSDADMEDSJ-ZBFHGGJFSA-N 0 3 247.382 3.352 20 0 BGADHN CC(C)C1CCN(Cc2ccnn2C(C)C)CC1 ZINC000410383667 191029404 /nfs/dbraw/zinc/02/94/04/191029404.db2.gz SAYXEJCLYMJQGA-UHFFFAOYSA-N 0 3 249.402 3.332 20 0 BGADHN CC[C@@H]1C[C@@H](C)CN1Cc1ccnn1C(C)C ZINC000410384153 191029662 /nfs/dbraw/zinc/02/96/62/191029662.db2.gz GJZKZTDZWFDWCN-CHWSQXEVSA-N 0 3 235.375 3.084 20 0 BGADHN CC[C@H]1C[C@@H](C)CN1Cc1ccnn1C(C)C ZINC000410384158 191028747 /nfs/dbraw/zinc/02/87/47/191028747.db2.gz GJZKZTDZWFDWCN-OLZOCXBDSA-N 0 3 235.375 3.084 20 0 BGADHN CC[C@@H]1C[C@H](C)CN1Cc1ccnn1C(C)C ZINC000410384159 191029643 /nfs/dbraw/zinc/02/96/43/191029643.db2.gz GJZKZTDZWFDWCN-QWHCGFSZSA-N 0 3 235.375 3.084 20 0 BGADHN CC[C@H]1C[C@H](C)CN1Cc1ccnn1C(C)C ZINC000410384162 191029716 /nfs/dbraw/zinc/02/97/16/191029716.db2.gz GJZKZTDZWFDWCN-STQMWFEESA-N 0 3 235.375 3.084 20 0 BGADHN C[C@H](c1ccco1)N(CCC1(O)CCC1)C1CC1 ZINC000411116184 191160585 /nfs/dbraw/zinc/16/05/85/191160585.db2.gz QBOSKVLBVCMVEH-GFCCVEGCSA-N 0 3 249.354 3.110 20 0 BGADHN C[C@@H](c1ccco1)N(CCC1(O)CCC1)C1CC1 ZINC000411116238 191160094 /nfs/dbraw/zinc/16/00/94/191160094.db2.gz QBOSKVLBVCMVEH-LBPRGKRZSA-N 0 3 249.354 3.110 20 0 BGADHN Cc1ccccc1CN(C)CCc1cncs1 ZINC000411131626 191162006 /nfs/dbraw/zinc/16/20/06/191162006.db2.gz XHISZVYTKLANKE-UHFFFAOYSA-N 0 3 246.379 3.126 20 0 BGADHN CN(Cc1ccco1)[C@H]1C[C@H]1c1cccc(F)c1 ZINC000411137276 191163404 /nfs/dbraw/zinc/16/34/04/191163404.db2.gz PWLIPZIOJFELOU-GJZGRUSLSA-N 0 3 245.297 3.407 20 0 BGADHN CN(Cc1ccco1)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000411137277 191162857 /nfs/dbraw/zinc/16/28/57/191162857.db2.gz PWLIPZIOJFELOU-LSDHHAIUSA-N 0 3 245.297 3.407 20 0 BGADHN CCN(CC)Cc1cnc2ccc(C)cc2c1 ZINC000411139587 191163537 /nfs/dbraw/zinc/16/35/37/191163537.db2.gz GHRMIUJRGUWMHF-UHFFFAOYSA-N 0 3 228.339 3.385 20 0 BGADHN C[C@@H]1CCCN([C@@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411145116 191163716 /nfs/dbraw/zinc/16/37/16/191163716.db2.gz BKPMIQAVZVZFAX-BYCMXARLSA-N 0 3 233.330 3.414 20 0 BGADHN C[C@H]1CCCN([C@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411145117 191163023 /nfs/dbraw/zinc/16/30/23/191163023.db2.gz BKPMIQAVZVZFAX-CQDKDKBSSA-N 0 3 233.330 3.414 20 0 BGADHN C[C@H]1CCCN([C@@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411145118 191163702 /nfs/dbraw/zinc/16/37/02/191163702.db2.gz BKPMIQAVZVZFAX-TUKIKUTGSA-N 0 3 233.330 3.414 20 0 BGADHN C[C@@H]1CCCN([C@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411145119 191163180 /nfs/dbraw/zinc/16/31/80/191163180.db2.gz BKPMIQAVZVZFAX-UGFHNGPFSA-N 0 3 233.330 3.414 20 0 BGADHN Cc1ccc(CN(C)CCc2cncs2)cc1 ZINC000411145935 191162872 /nfs/dbraw/zinc/16/28/72/191162872.db2.gz DBGGGDDJQRLKRV-UHFFFAOYSA-N 0 3 246.379 3.126 20 0 BGADHN CC1CCN([C@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411146465 191163201 /nfs/dbraw/zinc/16/32/01/191163201.db2.gz GAMVGPCEGRMFAZ-GJZGRUSLSA-N 0 3 233.330 3.414 20 0 BGADHN CC1CCN([C@@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411146466 191162889 /nfs/dbraw/zinc/16/28/89/191162889.db2.gz GAMVGPCEGRMFAZ-LSDHHAIUSA-N 0 3 233.330 3.414 20 0 BGADHN Fc1cccc([C@@H]2C[C@@H]2N2CCCCC2)c1 ZINC000411153878 191164994 /nfs/dbraw/zinc/16/49/94/191164994.db2.gz CSWGHTFGAJDREK-KBPBESRZSA-N 0 3 219.303 3.168 20 0 BGADHN Fc1cccc([C@@H]2C[C@H]2N2CCCCC2)c1 ZINC000411153881 191164758 /nfs/dbraw/zinc/16/47/58/191164758.db2.gz CSWGHTFGAJDREK-UONOGXRCSA-N 0 3 219.303 3.168 20 0 BGADHN CCCN(CCC)[C@H](C)c1ncc(C)o1 ZINC000411166803 191166295 /nfs/dbraw/zinc/16/62/95/191166295.db2.gz MYTCAPXEJVOMJL-LLVKDONJSA-N 0 3 210.321 3.166 20 0 BGADHN CCCN(CCC)[C@@H](C)c1ncc(C)o1 ZINC000411166804 191166818 /nfs/dbraw/zinc/16/68/18/191166818.db2.gz MYTCAPXEJVOMJL-NSHDSACASA-N 0 3 210.321 3.166 20 0 BGADHN Cc1ccc2ncc(CN(C)CC3CC3)cc2c1 ZINC000411176728 191168108 /nfs/dbraw/zinc/16/81/08/191168108.db2.gz XGHZXXXXDZQTED-UHFFFAOYSA-N 0 3 240.350 3.385 20 0 BGADHN C[C@H]1CN([C@@H]2C[C@@H]2c2ccccc2)CC(C)(C)O1 ZINC000411184835 487694278 /nfs/dbraw/zinc/69/42/78/487694278.db2.gz LXCPCJVZEXUDMF-NWANDNLSSA-N 0 3 245.366 3.042 20 0 BGADHN Cc1cccc(CN(C)CCc2cncs2)c1 ZINC000411193768 191167864 /nfs/dbraw/zinc/16/78/64/191167864.db2.gz PCKJEWJMOAJZJA-UHFFFAOYSA-N 0 3 246.379 3.126 20 0 BGADHN CN(Cc1ccoc1)[C@H]1C[C@H]1c1cccc(F)c1 ZINC000411195233 191168280 /nfs/dbraw/zinc/16/82/80/191168280.db2.gz VYMBRKQEQRQZBD-GJZGRUSLSA-N 0 3 245.297 3.407 20 0 BGADHN CN(Cc1ccoc1)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000411195235 191168238 /nfs/dbraw/zinc/16/82/38/191168238.db2.gz VYMBRKQEQRQZBD-LSDHHAIUSA-N 0 3 245.297 3.407 20 0 BGADHN CCCN(CC(C)C)[C@H](C)c1nc(CC)no1 ZINC000411196176 191169227 /nfs/dbraw/zinc/16/92/27/191169227.db2.gz AUNSGVLQEUDVDW-LLVKDONJSA-N 0 3 239.363 3.061 20 0 BGADHN CCCN(CC(C)C)[C@@H](C)c1nc(CC)no1 ZINC000411196177 191168893 /nfs/dbraw/zinc/16/88/93/191168893.db2.gz AUNSGVLQEUDVDW-NSHDSACASA-N 0 3 239.363 3.061 20 0 BGADHN CN(C[C@H]1CCCCO1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000411198228 487694438 /nfs/dbraw/zinc/69/44/38/487694438.db2.gz YTQMFFTWZGMHPA-BZUAXINKSA-N 0 3 245.366 3.043 20 0 BGADHN CCCN(CC(C)C)[C@H](C)c1nnc(CC)o1 ZINC000411199483 191170130 /nfs/dbraw/zinc/17/01/30/191170130.db2.gz GPCYCABEMSEAHF-LLVKDONJSA-N 0 3 239.363 3.061 20 0 BGADHN CCCN(CC(C)C)[C@@H](C)c1nnc(CC)o1 ZINC000411199485 191168603 /nfs/dbraw/zinc/16/86/03/191168603.db2.gz GPCYCABEMSEAHF-NSHDSACASA-N 0 3 239.363 3.061 20 0 BGADHN CCCN(CC(C)C)[C@H](C)c1ncc(C)o1 ZINC000411205132 191170272 /nfs/dbraw/zinc/17/02/72/191170272.db2.gz ZQVGPBDEYCMOMK-GFCCVEGCSA-N 0 3 224.348 3.412 20 0 BGADHN CCCN(CC(C)C)[C@@H](C)c1ncc(C)o1 ZINC000411205133 191170786 /nfs/dbraw/zinc/17/07/86/191170786.db2.gz ZQVGPBDEYCMOMK-LBPRGKRZSA-N 0 3 224.348 3.412 20 0 BGADHN CCCN(C)Cc1cnc2ccc(C)cc2c1 ZINC000411206402 191170798 /nfs/dbraw/zinc/17/07/98/191170798.db2.gz CBDIGLPPOKMYCV-UHFFFAOYSA-N 0 3 228.339 3.385 20 0 BGADHN C[C@H]1CCN([C@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411212565 191168567 /nfs/dbraw/zinc/16/85/67/191168567.db2.gz KWAYTJOYEHLYMN-BPNCWPANSA-N 0 3 219.303 3.023 20 0 BGADHN C[C@@H]1CCN([C@@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411212566 191169422 /nfs/dbraw/zinc/16/94/22/191169422.db2.gz KWAYTJOYEHLYMN-DDTOSNHZSA-N 0 3 219.303 3.023 20 0 BGADHN C[C@H]1CCN([C@@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411212569 191169569 /nfs/dbraw/zinc/16/95/69/191169569.db2.gz KWAYTJOYEHLYMN-LEWSCRJBSA-N 0 3 219.303 3.023 20 0 BGADHN C[C@@H]1CCN([C@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411212571 191168591 /nfs/dbraw/zinc/16/85/91/191168591.db2.gz KWAYTJOYEHLYMN-SWHYSGLUSA-N 0 3 219.303 3.023 20 0 BGADHN CCN(C[C@H]1CCCO1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000411222892 487696124 /nfs/dbraw/zinc/69/61/24/487696124.db2.gz OIFXJYFCOGIZDZ-BZUAXINKSA-N 0 3 245.366 3.043 20 0 BGADHN CC[C@H]1CN([C@@H]2C[C@@H]2c2ccccc2)CCS1 ZINC000411291998 487698123 /nfs/dbraw/zinc/69/81/23/487698123.db2.gz DEFFMOIYNUZGJM-RRFJBIMHSA-N 0 3 247.407 3.370 20 0 BGADHN CC1(C)CCN([C@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411295573 191176449 /nfs/dbraw/zinc/17/64/49/191176449.db2.gz JPPGCQRYLPNJOU-KBPBESRZSA-N 0 3 233.330 3.414 20 0 BGADHN CC1(C)CCN([C@@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411295575 191176010 /nfs/dbraw/zinc/17/60/10/191176010.db2.gz JPPGCQRYLPNJOU-UONOGXRCSA-N 0 3 233.330 3.414 20 0 BGADHN C[C@H]1CCCN1[C@H]1C[C@H]1c1cccc(F)c1 ZINC000411298131 191175436 /nfs/dbraw/zinc/17/54/36/191175436.db2.gz NCUQDZASVKXTRZ-BPNCWPANSA-N 0 3 219.303 3.166 20 0 BGADHN C[C@@H]1CCCN1[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000411298152 191175413 /nfs/dbraw/zinc/17/54/13/191175413.db2.gz NCUQDZASVKXTRZ-DDTOSNHZSA-N 0 3 219.303 3.166 20 0 BGADHN C[C@H]1CCCN1[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000411298153 191175875 /nfs/dbraw/zinc/17/58/75/191175875.db2.gz NCUQDZASVKXTRZ-LEWSCRJBSA-N 0 3 219.303 3.166 20 0 BGADHN C[C@@H]1CCCN1[C@H]1C[C@H]1c1cccc(F)c1 ZINC000411298154 191175248 /nfs/dbraw/zinc/17/52/48/191175248.db2.gz NCUQDZASVKXTRZ-SWHYSGLUSA-N 0 3 219.303 3.166 20 0 BGADHN c1ncc(CCN2CC[C@H]2c2ccccc2)s1 ZINC000411339770 191179023 /nfs/dbraw/zinc/17/90/23/191179023.db2.gz ZFXSOSZDNNFCJM-AWEZNQCLSA-N 0 3 244.363 3.133 20 0 BGADHN c1ncc(CCN2CC[C@@H]2c2ccccc2)s1 ZINC000411339771 191179010 /nfs/dbraw/zinc/17/90/10/191179010.db2.gz ZFXSOSZDNNFCJM-CQSZACIVSA-N 0 3 244.363 3.133 20 0 BGADHN CC1=CCN([C@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411404249 191184522 /nfs/dbraw/zinc/18/45/22/191184522.db2.gz DXJWISJFNFWACJ-GJZGRUSLSA-N 0 3 231.314 3.334 20 0 BGADHN CC1=CCN([C@@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411404251 191185256 /nfs/dbraw/zinc/18/52/56/191185256.db2.gz DXJWISJFNFWACJ-LSDHHAIUSA-N 0 3 231.314 3.334 20 0 BGADHN CC1(C)CC[C@@H](CNC2(c3ccccc3)CC2)O1 ZINC000411450139 191187528 /nfs/dbraw/zinc/18/75/28/191187528.db2.gz GFDRASJJKXPAAT-AWEZNQCLSA-N 0 3 245.366 3.223 20 0 BGADHN CC1(C)CC[C@H](CNC2(c3ccccc3)CC2)O1 ZINC000411450145 191187598 /nfs/dbraw/zinc/18/75/98/191187598.db2.gz GFDRASJJKXPAAT-CQSZACIVSA-N 0 3 245.366 3.223 20 0 BGADHN CC1=CCCN([C@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411669282 191204462 /nfs/dbraw/zinc/20/44/62/191204462.db2.gz JFCYHXNASCGEEU-GJZGRUSLSA-N 0 3 231.314 3.334 20 0 BGADHN CC1=CCCN([C@@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411669285 191204371 /nfs/dbraw/zinc/20/43/71/191204371.db2.gz JFCYHXNASCGEEU-LSDHHAIUSA-N 0 3 231.314 3.334 20 0 BGADHN CC[C@@H]1CCN1[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000411761392 191208659 /nfs/dbraw/zinc/20/86/59/191208659.db2.gz UUUIIPSFXWTSKY-HZSPNIEDSA-N 0 3 219.303 3.166 20 0 BGADHN CC[C@H]1CCN1[C@H]1C[C@H]1c1cccc(F)c1 ZINC000411761401 191209415 /nfs/dbraw/zinc/20/94/15/191209415.db2.gz UUUIIPSFXWTSKY-IHRRRGAJSA-N 0 3 219.303 3.166 20 0 BGADHN CC[C@H]1CCN1[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000411761403 385604893 /nfs/dbraw/zinc/60/48/93/385604893.db2.gz UUUIIPSFXWTSKY-MELADBBJSA-N 0 3 219.303 3.166 20 0 BGADHN CC[C@@H]1CCN1[C@H]1C[C@H]1c1cccc(F)c1 ZINC000411761406 385603503 /nfs/dbraw/zinc/60/35/03/385603503.db2.gz UUUIIPSFXWTSKY-RDBSUJKOSA-N 0 3 219.303 3.166 20 0 BGADHN Cc1ccc2ncc(CN3C[C@@H](C)[C@H]3C)cc2c1 ZINC000411770022 191209673 /nfs/dbraw/zinc/20/96/73/191209673.db2.gz XMXKSYADWMKVFV-CHWSQXEVSA-N 0 3 240.350 3.383 20 0 BGADHN Cc1ccc2ncc(CN3C[C@@H](C)[C@@H]3C)cc2c1 ZINC000411770026 191210644 /nfs/dbraw/zinc/21/06/44/191210644.db2.gz XMXKSYADWMKVFV-OLZOCXBDSA-N 0 3 240.350 3.383 20 0 BGADHN Cc1ccc2ncc(CN3C[C@H](C)[C@H]3C)cc2c1 ZINC000411770028 191210364 /nfs/dbraw/zinc/21/03/64/191210364.db2.gz XMXKSYADWMKVFV-QWHCGFSZSA-N 0 3 240.350 3.383 20 0 BGADHN Cc1ccc2ncc(CN3C[C@H](C)[C@@H]3C)cc2c1 ZINC000411770030 191209737 /nfs/dbraw/zinc/20/97/37/191209737.db2.gz XMXKSYADWMKVFV-STQMWFEESA-N 0 3 240.350 3.383 20 0 BGADHN CCc1ccc(CN[C@H]2CCC23CCCC3)nc1 ZINC000411786093 191211522 /nfs/dbraw/zinc/21/15/22/191211522.db2.gz CWKMQMKZTIHKHO-HNNXBMFYSA-N 0 3 244.382 3.456 20 0 BGADHN CCc1ccc(CN[C@@H]2CCC23CCCC3)nc1 ZINC000411786094 191212033 /nfs/dbraw/zinc/21/20/33/191212033.db2.gz CWKMQMKZTIHKHO-OAHLLOKOSA-N 0 3 244.382 3.456 20 0 BGADHN COc1cc(C)nc(CN2[C@H](C)CCC2(C)C)c1 ZINC000411803241 191213411 /nfs/dbraw/zinc/21/34/11/191213411.db2.gz FEWSPVVEPSVORC-GFCCVEGCSA-N 0 3 248.370 3.162 20 0 BGADHN COc1cc(C)nc(CN2[C@@H](C)CCC2(C)C)c1 ZINC000411803251 191212754 /nfs/dbraw/zinc/21/27/54/191212754.db2.gz FEWSPVVEPSVORC-LBPRGKRZSA-N 0 3 248.370 3.162 20 0 BGADHN C1=C[C@@H](N2CCSC3(CCC3)CC2)CCC1 ZINC000411874280 191225949 /nfs/dbraw/zinc/22/59/49/191225949.db2.gz ZOJRGEDAZTWPPQ-CYBMUJFWSA-N 0 3 237.412 3.457 20 0 BGADHN C1=C[C@H](N2CCSC3(CCC3)CC2)CCC1 ZINC000411874281 191225957 /nfs/dbraw/zinc/22/59/57/191225957.db2.gz ZOJRGEDAZTWPPQ-ZDUSSCGKSA-N 0 3 237.412 3.457 20 0 BGADHN CC[C@@H](F)CN1CCSC2(CCC2)CC1 ZINC000411879119 191225931 /nfs/dbraw/zinc/22/59/31/191225931.db2.gz YMSHHFRFZZNSMF-LLVKDONJSA-N 0 3 231.380 3.096 20 0 BGADHN CC[C@H](F)CN1CCSC2(CCC2)CC1 ZINC000411879121 191225272 /nfs/dbraw/zinc/22/52/72/191225272.db2.gz YMSHHFRFZZNSMF-NSHDSACASA-N 0 3 231.380 3.096 20 0 BGADHN CCN(CCC(C)(C)OC)Cc1occc1C ZINC000412025763 191240407 /nfs/dbraw/zinc/24/04/07/191240407.db2.gz JKELZCCOYVSOMD-UHFFFAOYSA-N 0 3 239.359 3.225 20 0 BGADHN CCN(CCCSC)Cc1occc1C ZINC000412025849 191240572 /nfs/dbraw/zinc/24/05/72/191240572.db2.gz JZMYZDXHVSOIAF-UHFFFAOYSA-N 0 3 227.373 3.163 20 0 BGADHN CCN(CCCCCOC)Cc1occc1C ZINC000412025982 191240437 /nfs/dbraw/zinc/24/04/37/191240437.db2.gz KESBWLPXNLZNLP-UHFFFAOYSA-N 0 3 239.359 3.227 20 0 BGADHN CCN(CCCCF)Cc1occc1C ZINC000412026083 191239534 /nfs/dbraw/zinc/23/95/34/191239534.db2.gz KVDQUZGETZBSCU-UHFFFAOYSA-N 0 3 213.296 3.160 20 0 BGADHN CCN(CCc1cccnc1)Cc1occc1C ZINC000412026790 191240238 /nfs/dbraw/zinc/24/02/38/191240238.db2.gz MXJJOEJHEVLUPK-UHFFFAOYSA-N 0 3 244.338 3.048 20 0 BGADHN CCN(Cc1occc1C)CC1CCC(=O)CC1 ZINC000412026824 191239146 /nfs/dbraw/zinc/23/91/46/191239146.db2.gz NIHVKHJWNHLOKZ-UHFFFAOYSA-N 0 3 249.354 3.169 20 0 BGADHN CCN(CC[C@@H](C)F)Cc1occc1C ZINC000412027118 191240363 /nfs/dbraw/zinc/24/03/63/191240363.db2.gz OBULBNODRQKRDQ-LLVKDONJSA-N 0 3 213.296 3.158 20 0 BGADHN CCN(CC[C@H](C)F)Cc1occc1C ZINC000412027119 191239182 /nfs/dbraw/zinc/23/91/82/191239182.db2.gz OBULBNODRQKRDQ-NSHDSACASA-N 0 3 213.296 3.158 20 0 BGADHN CCN(CCCOC(C)C)Cc1occc1C ZINC000412027788 191240278 /nfs/dbraw/zinc/24/02/78/191240278.db2.gz QMELSSMEAVYQNV-UHFFFAOYSA-N 0 3 239.359 3.225 20 0 BGADHN CCN(Cc1cncc(C)c1)C1CC(C)(C)C1 ZINC000412028199 191240193 /nfs/dbraw/zinc/24/01/93/191240193.db2.gz APCWIFGDSHOZOQ-UHFFFAOYSA-N 0 3 232.371 3.401 20 0 BGADHN CCN(Cc1ccnc(OC)c1)C1CC(C)(C)C1 ZINC000412028532 191240932 /nfs/dbraw/zinc/24/09/32/191240932.db2.gz AUXYMDBZMDXOSR-UHFFFAOYSA-N 0 3 248.370 3.101 20 0 BGADHN CCC(=O)CCCN(CC)Cc1occc1C ZINC000412028843 191242125 /nfs/dbraw/zinc/24/21/25/191242125.db2.gz SUNILFUAMBCWSO-UHFFFAOYSA-N 0 3 237.343 3.169 20 0 BGADHN CCN(Cc1cnc(C)s1)C1CC(C)(C)C1 ZINC000412029029 191241811 /nfs/dbraw/zinc/24/18/11/191241811.db2.gz CEHFSPVMOFQFHU-UHFFFAOYSA-N 0 3 238.400 3.462 20 0 BGADHN CCN(Cc1ncccc1C)C1CC(C)(C)C1 ZINC000412029086 191241255 /nfs/dbraw/zinc/24/12/55/191241255.db2.gz CHYPYMAJZAHPPA-UHFFFAOYSA-N 0 3 232.371 3.401 20 0 BGADHN CCN(Cc1ccncc1)C1CC(C)(C)C1 ZINC000412030135 191241244 /nfs/dbraw/zinc/24/12/44/191241244.db2.gz DOWJTWTVXJSNOR-UHFFFAOYSA-N 0 3 218.344 3.092 20 0 BGADHN CCSCCN(CC)Cc1occc1C ZINC000412031350 191241084 /nfs/dbraw/zinc/24/10/84/191241084.db2.gz XREUFISYVWMODA-UHFFFAOYSA-N 0 3 227.373 3.163 20 0 BGADHN CCN(Cc1cccnc1OC)C1CC(C)(C)C1 ZINC000412031623 191241804 /nfs/dbraw/zinc/24/18/04/191241804.db2.gz GEASHYWGVDMUKQ-UHFFFAOYSA-N 0 3 248.370 3.101 20 0 BGADHN CCN(Cc1cncc(F)c1)C1CC(C)(C)C1 ZINC000412031982 191241937 /nfs/dbraw/zinc/24/19/37/191241937.db2.gz GOPDQKNHVOOBKS-UHFFFAOYSA-N 0 3 236.334 3.231 20 0 BGADHN CCN(Cc1cnccc1OC)C1CC(C)(C)C1 ZINC000412032002 191240964 /nfs/dbraw/zinc/24/09/64/191240964.db2.gz GQTISZPDIILMDL-UHFFFAOYSA-N 0 3 248.370 3.101 20 0 BGADHN Cc1nc(CN2CC(C)(C)C[C@H]2C)sc1C ZINC000412032413 191241778 /nfs/dbraw/zinc/24/17/78/191241778.db2.gz BUCJLCHXAUWJTI-SECBINFHSA-N 0 3 238.400 3.380 20 0 BGADHN Cc1nc(CN2CC(C)(C)C[C@@H]2C)sc1C ZINC000412032414 191241458 /nfs/dbraw/zinc/24/14/58/191241458.db2.gz BUCJLCHXAUWJTI-VIFPVBQESA-N 0 3 238.400 3.380 20 0 BGADHN CCc1ccc(CN2CC(C)(C)C[C@H]2C)nc1 ZINC000412034309 191248631 /nfs/dbraw/zinc/24/86/31/191248631.db2.gz DVZIMSXUSWWAHS-GFCCVEGCSA-N 0 3 232.371 3.264 20 0 BGADHN CCc1ccc(CN2CC(C)(C)C[C@@H]2C)nc1 ZINC000412034311 191248100 /nfs/dbraw/zinc/24/81/00/191248100.db2.gz DVZIMSXUSWWAHS-LBPRGKRZSA-N 0 3 232.371 3.264 20 0 BGADHN C[C@@H]1CC(C)(C)CN1CCC(=O)c1ccccc1 ZINC000412034342 191247365 /nfs/dbraw/zinc/24/73/65/191247365.db2.gz DZKUOUQVSDHVFQ-CYBMUJFWSA-N 0 3 245.366 3.380 20 0 BGADHN C[C@H]1CC(C)(C)CN1CCC(=O)c1ccccc1 ZINC000412034343 191247576 /nfs/dbraw/zinc/24/75/76/191247576.db2.gz DZKUOUQVSDHVFQ-ZDUSSCGKSA-N 0 3 245.366 3.380 20 0 BGADHN Cc1cccc(CN2CC(C)(C)C[C@H]2C)n1 ZINC000412035048 191247334 /nfs/dbraw/zinc/24/73/34/191247334.db2.gz FQDXCIPGUFXYEF-GFCCVEGCSA-N 0 3 218.344 3.010 20 0 BGADHN Cc1cccc(CN2CC(C)(C)C[C@@H]2C)n1 ZINC000412035050 191247750 /nfs/dbraw/zinc/24/77/50/191247750.db2.gz FQDXCIPGUFXYEF-LBPRGKRZSA-N 0 3 218.344 3.010 20 0 BGADHN CCN(Cc1cc(OC)ccn1)C1CC(C)(C)C1 ZINC000412035511 191246846 /nfs/dbraw/zinc/24/68/46/191246846.db2.gz KQRQWBZVCIWESW-UHFFFAOYSA-N 0 3 248.370 3.101 20 0 BGADHN CCN(Cc1ccc(C)cn1)C1CC(C)(C)C1 ZINC000412036350 191246828 /nfs/dbraw/zinc/24/68/28/191246828.db2.gz LSWVBOSLHCLWDU-UHFFFAOYSA-N 0 3 232.371 3.401 20 0 BGADHN CCN(Cc1cccc(OC)n1)C1CC(C)(C)C1 ZINC000412037143 191247770 /nfs/dbraw/zinc/24/77/70/191247770.db2.gz NCLNXSQFXBTTFZ-UHFFFAOYSA-N 0 3 248.370 3.101 20 0 BGADHN CCN(Cc1cnccc1C)C1CC(C)(C)C1 ZINC000412038406 191248195 /nfs/dbraw/zinc/24/81/95/191248195.db2.gz ORKSMSYTTJKNEP-UHFFFAOYSA-N 0 3 232.371 3.401 20 0 BGADHN CC(C)n1nccc1CN1CC(C)(C)C[C@H]1C ZINC000412038671 191246716 /nfs/dbraw/zinc/24/67/16/191246716.db2.gz ITYNKBBWTZSGBX-GFCCVEGCSA-N 0 3 235.375 3.084 20 0 BGADHN CC(C)n1nccc1CN1CC(C)(C)C[C@@H]1C ZINC000412038674 191246644 /nfs/dbraw/zinc/24/66/44/191246644.db2.gz ITYNKBBWTZSGBX-LBPRGKRZSA-N 0 3 235.375 3.084 20 0 BGADHN CCN(Cc1scnc1C)C1CC(C)(C)C1 ZINC000412039086 191250133 /nfs/dbraw/zinc/25/01/33/191250133.db2.gz PFKNEXRHTFELKZ-UHFFFAOYSA-N 0 3 238.400 3.462 20 0 BGADHN CCN(Cc1ccc(OC)cn1)C1CC(C)(C)C1 ZINC000412039193 191248940 /nfs/dbraw/zinc/24/89/40/191248940.db2.gz QAKJZXKESWUBKN-UHFFFAOYSA-N 0 3 248.370 3.101 20 0 BGADHN CCN(CCc1ccncc1)Cc1occc1C ZINC000412039234 191248815 /nfs/dbraw/zinc/24/88/15/191248815.db2.gz KAKGSXKZCXGCSR-UHFFFAOYSA-N 0 3 244.338 3.048 20 0 BGADHN CCN(Cc1cncc(OC)c1)C1CC(C)(C)C1 ZINC000412039803 191249022 /nfs/dbraw/zinc/24/90/22/191249022.db2.gz QEXUHZVTDABVDJ-UHFFFAOYSA-N 0 3 248.370 3.101 20 0 BGADHN CCN(Cc1c(C)noc1C)C1CC(C)(C)C1 ZINC000412039846 191249407 /nfs/dbraw/zinc/24/94/07/191249407.db2.gz QNEJCLJTLVJGRE-UHFFFAOYSA-N 0 3 236.359 3.302 20 0 BGADHN CCN(Cc1cccnc1C)C1CC(C)(C)C1 ZINC000412040510 191248788 /nfs/dbraw/zinc/24/87/88/191248788.db2.gz RJTLIDZIRWTUIK-UHFFFAOYSA-N 0 3 232.371 3.401 20 0 BGADHN Cc1nc(CN2CC(C)(C)C[C@H]2C)c(C)s1 ZINC000412040775 191250373 /nfs/dbraw/zinc/25/03/73/191250373.db2.gz KOJFEIMHLSAMHT-SECBINFHSA-N 0 3 238.400 3.380 20 0 BGADHN Cc1nc(CN2CC(C)(C)C[C@@H]2C)c(C)s1 ZINC000412040778 191248971 /nfs/dbraw/zinc/24/89/71/191248971.db2.gz KOJFEIMHLSAMHT-VIFPVBQESA-N 0 3 238.400 3.380 20 0 BGADHN CCN(Cc1cccc(C)n1)C1CC(C)(C)C1 ZINC000412041190 191249226 /nfs/dbraw/zinc/24/92/26/191249226.db2.gz SMOMVBNCGUKADH-UHFFFAOYSA-N 0 3 232.371 3.401 20 0 BGADHN CCN(Cc1c(C)nn(C)c1C)C1CC(C)(C)C1 ZINC000412041192 191249232 /nfs/dbraw/zinc/24/92/32/191249232.db2.gz SNEVFYVXGQOOGP-UHFFFAOYSA-N 0 3 249.402 3.047 20 0 BGADHN CCN(Cc1ccnn1C(C)C)C1CC(C)(C)C1 ZINC000412041688 191249981 /nfs/dbraw/zinc/24/99/81/191249981.db2.gz STTMDZYUOJHTAZ-UHFFFAOYSA-N 0 3 249.402 3.475 20 0 BGADHN CCN(CCC(F)(F)F)C1CC(C)(C)C1 ZINC000412041704 191249607 /nfs/dbraw/zinc/24/96/07/191249607.db2.gz SXPPSVFEMPITHN-UHFFFAOYSA-N 0 3 223.282 3.449 20 0 BGADHN CC[C@H](F)CN(CC)C1CC(C)(C)C1 ZINC000412042924 191249943 /nfs/dbraw/zinc/24/99/43/191249943.db2.gz VRGGBNZOXYNONI-JTQLQIEISA-N 0 3 201.329 3.245 20 0 BGADHN CC[C@@H](F)CN(CC)C1CC(C)(C)C1 ZINC000412042925 191250444 /nfs/dbraw/zinc/25/04/44/191250444.db2.gz VRGGBNZOXYNONI-SNVBAGLBSA-N 0 3 201.329 3.245 20 0 BGADHN CCN(Cc1ccc(F)cn1)C1CC(C)(C)C1 ZINC000412043604 191249715 /nfs/dbraw/zinc/24/97/15/191249715.db2.gz WTQGJLFSLRJMPQ-UHFFFAOYSA-N 0 3 236.334 3.231 20 0 BGADHN CCN(Cc1ccccn1)C1CC(C)(C)C1 ZINC000412044096 191250391 /nfs/dbraw/zinc/25/03/91/191250391.db2.gz XFGYFCSWPXOYBD-UHFFFAOYSA-N 0 3 218.344 3.092 20 0 BGADHN COc1cc(C)nc(CN2CC(C)(C)C[C@H]2C)c1 ZINC000412045130 191243680 /nfs/dbraw/zinc/24/36/80/191243680.db2.gz PCUATAMMQKXCEP-GFCCVEGCSA-N 0 3 248.370 3.019 20 0 BGADHN COc1cc(C)nc(CN2CC(C)(C)C[C@@H]2C)c1 ZINC000412045132 191243865 /nfs/dbraw/zinc/24/38/65/191243865.db2.gz PCUATAMMQKXCEP-LBPRGKRZSA-N 0 3 248.370 3.019 20 0 BGADHN CCN(Cc1cccnc1)C1CC(C)(C)C1 ZINC000412045430 191243988 /nfs/dbraw/zinc/24/39/88/191243988.db2.gz YYUPXTGXGOSAOG-UHFFFAOYSA-N 0 3 218.344 3.092 20 0 BGADHN CCN(Cc1ccc(OC)nc1)C1CC(C)(C)C1 ZINC000412045525 191244575 /nfs/dbraw/zinc/24/45/75/191244575.db2.gz ZJFGGGKMQMAMNG-UHFFFAOYSA-N 0 3 248.370 3.101 20 0 BGADHN Cc1ccc(CN2CC(C)(C)C[C@H]2C)nc1 ZINC000412046760 191243088 /nfs/dbraw/zinc/24/30/88/191243088.db2.gz RMLFINSBFXOCSO-GFCCVEGCSA-N 0 3 218.344 3.010 20 0 BGADHN Cc1ccc(CN2CC(C)(C)C[C@@H]2C)nc1 ZINC000412046762 191243440 /nfs/dbraw/zinc/24/34/40/191243440.db2.gz RMLFINSBFXOCSO-LBPRGKRZSA-N 0 3 218.344 3.010 20 0 BGADHN Cc1cncc(CN2CC(C)(C)C[C@H]2C)c1 ZINC000412046777 191243787 /nfs/dbraw/zinc/24/37/87/191243787.db2.gz ROEVYKIBXOVTRN-GFCCVEGCSA-N 0 3 218.344 3.010 20 0 BGADHN Cc1cncc(CN2CC(C)(C)C[C@@H]2C)c1 ZINC000412046779 191243070 /nfs/dbraw/zinc/24/30/70/191243070.db2.gz ROEVYKIBXOVTRN-LBPRGKRZSA-N 0 3 218.344 3.010 20 0 BGADHN COc1ccc(CN(C)CCCF)cc1Cl ZINC000412047361 191243152 /nfs/dbraw/zinc/24/31/52/191243152.db2.gz UVGNEVWMMMSDDC-UHFFFAOYSA-N 0 3 245.725 3.140 20 0 BGADHN C[C@@H]1CC(C)(C)CN1Cc1nc2ccccc2o1 ZINC000412048571 191243823 /nfs/dbraw/zinc/24/38/23/191243823.db2.gz VAHREKWTCQYSEJ-LLVKDONJSA-N 0 3 244.338 3.448 20 0 BGADHN C[C@H]1CC(C)(C)CN1Cc1nc2ccccc2o1 ZINC000412048572 191242958 /nfs/dbraw/zinc/24/29/58/191242958.db2.gz VAHREKWTCQYSEJ-NSHDSACASA-N 0 3 244.338 3.448 20 0 BGADHN Cc1ncc(CN2CC(C)(C)C[C@H]2C)s1 ZINC000412048911 191246061 /nfs/dbraw/zinc/24/60/61/191246061.db2.gz VNJANIYUOLJFJP-SECBINFHSA-N 0 3 224.373 3.072 20 0 BGADHN Cc1ncc(CN2CC(C)(C)C[C@@H]2C)s1 ZINC000412048912 191244699 /nfs/dbraw/zinc/24/46/99/191244699.db2.gz VNJANIYUOLJFJP-VIFPVBQESA-N 0 3 224.373 3.072 20 0 BGADHN CCc1noc(C)c1CN1CC(C)(C)C[C@@H]1C ZINC000412050538 191246337 /nfs/dbraw/zinc/24/63/37/191246337.db2.gz YRKHFENYLZOMIZ-JTQLQIEISA-N 0 3 236.359 3.166 20 0 BGADHN CCc1noc(C)c1CN1CC(C)(C)C[C@H]1C ZINC000412050539 191246066 /nfs/dbraw/zinc/24/60/66/191246066.db2.gz YRKHFENYLZOMIZ-SNVBAGLBSA-N 0 3 236.359 3.166 20 0 BGADHN CC[C@H](CN(C)Cc1ccc(Cl)s1)OC ZINC000412975634 191347428 /nfs/dbraw/zinc/34/74/28/191347428.db2.gz GHLIJSSGQIBADD-SECBINFHSA-N 0 3 247.791 3.258 20 0 BGADHN CC[C@@H](CN(C)Cc1ccc(Cl)s1)OC ZINC000412975637 191346094 /nfs/dbraw/zinc/34/60/94/191346094.db2.gz GHLIJSSGQIBADD-VIFPVBQESA-N 0 3 247.791 3.258 20 0 BGADHN CC[C@@H](CN([C@@H](C)c1ccco1)C1CC1)OC ZINC000412976858 191347719 /nfs/dbraw/zinc/34/77/19/191347719.db2.gz KGAQRKFTEZZHLA-AAEUAGOBSA-N 0 3 237.343 3.230 20 0 BGADHN CC[C@H](CN([C@H](C)c1ccco1)C1CC1)OC ZINC000412976860 191347712 /nfs/dbraw/zinc/34/77/12/191347712.db2.gz KGAQRKFTEZZHLA-DGCLKSJQSA-N 0 3 237.343 3.230 20 0 BGADHN CC[C@H](CN([C@@H](C)c1ccco1)C1CC1)OC ZINC000412976861 191347756 /nfs/dbraw/zinc/34/77/56/191347756.db2.gz KGAQRKFTEZZHLA-WCQYABFASA-N 0 3 237.343 3.230 20 0 BGADHN CC[C@@H](CN([C@H](C)c1ccco1)C1CC1)OC ZINC000412976863 191347801 /nfs/dbraw/zinc/34/78/01/191347801.db2.gz KGAQRKFTEZZHLA-YPMHNXCESA-N 0 3 237.343 3.230 20 0 BGADHN CC[C@H](CN(C)[C@H](C)c1ccc(F)cc1)OC ZINC000412977715 385825783 /nfs/dbraw/zinc/82/57/83/385825783.db2.gz NCQLSWDQTPEXJO-BXUZGUMPSA-N 0 3 239.334 3.244 20 0 BGADHN CC[C@@H](CN(C)[C@@H](C)c1ccc(F)cc1)OC ZINC000412977718 385825286 /nfs/dbraw/zinc/82/52/86/385825286.db2.gz NCQLSWDQTPEXJO-FZMZJTMJSA-N 0 3 239.334 3.244 20 0 BGADHN CC[C@@H](CN(C)[C@H](C)c1ccc(F)cc1)OC ZINC000412977719 385824250 /nfs/dbraw/zinc/82/42/50/385824250.db2.gz NCQLSWDQTPEXJO-RISCZKNCSA-N 0 3 239.334 3.244 20 0 BGADHN CC[C@H](CN(C)[C@@H](C)c1ccc(F)cc1)OC ZINC000412977722 385824489 /nfs/dbraw/zinc/82/44/89/385824489.db2.gz NCQLSWDQTPEXJO-SMDDNHRTSA-N 0 3 239.334 3.244 20 0 BGADHN CC[C@H](CN1CCc2sccc2[C@H]1C)OC ZINC000412977762 385825466 /nfs/dbraw/zinc/82/54/66/385825466.db2.gz NHVLZYVWIIAOER-GHMZBOCLSA-N 0 3 239.384 3.092 20 0 BGADHN CC[C@@H](CN1CCc2sccc2[C@H]1C)OC ZINC000412977764 385825692 /nfs/dbraw/zinc/82/56/92/385825692.db2.gz NHVLZYVWIIAOER-MNOVXSKESA-N 0 3 239.384 3.092 20 0 BGADHN CC[C@@H](CN1CCc2sccc2[C@@H]1C)OC ZINC000412977766 385825501 /nfs/dbraw/zinc/82/55/01/385825501.db2.gz NHVLZYVWIIAOER-QWRGUYRKSA-N 0 3 239.384 3.092 20 0 BGADHN CC[C@H](CN1CCc2sccc2[C@@H]1C)OC ZINC000412977767 385825443 /nfs/dbraw/zinc/82/54/43/385825443.db2.gz NHVLZYVWIIAOER-WDEREUQCSA-N 0 3 239.384 3.092 20 0 BGADHN CC[C@H](CN(Cc1cccs1)C1CC1)OC ZINC000412979316 191348965 /nfs/dbraw/zinc/34/89/65/191348965.db2.gz SYHRJKMQADJAIN-GFCCVEGCSA-N 0 3 239.384 3.138 20 0 BGADHN CC[C@@H](CN(Cc1cccs1)C1CC1)OC ZINC000412979317 191349039 /nfs/dbraw/zinc/34/90/39/191349039.db2.gz SYHRJKMQADJAIN-LBPRGKRZSA-N 0 3 239.384 3.138 20 0 BGADHN CC[C@@H](CN(Cc1ccccc1)C1CC1)OC ZINC000412979675 191348051 /nfs/dbraw/zinc/34/80/51/191348051.db2.gz UYLYVPKSMYMTAC-HNNXBMFYSA-N 0 3 233.355 3.076 20 0 BGADHN CC[C@H](CN(Cc1ccccc1)C1CC1)OC ZINC000412979676 191349526 /nfs/dbraw/zinc/34/95/26/191349526.db2.gz UYLYVPKSMYMTAC-OAHLLOKOSA-N 0 3 233.355 3.076 20 0 BGADHN CC[C@@H](CN(C)[C@H](C)c1ccccc1F)OC ZINC000412979769 191349541 /nfs/dbraw/zinc/34/95/41/191349541.db2.gz VTBPWHJMHPSOIZ-NEPJUHHUSA-N 0 3 239.334 3.244 20 0 BGADHN CC[C@H](CN(C)[C@@H](C)c1ccccc1F)OC ZINC000412979771 191348312 /nfs/dbraw/zinc/34/83/12/191348312.db2.gz VTBPWHJMHPSOIZ-NWDGAFQWSA-N 0 3 239.334 3.244 20 0 BGADHN CC[C@@H](CN(C)[C@@H](C)c1ccccc1F)OC ZINC000412979772 191348433 /nfs/dbraw/zinc/34/84/33/191348433.db2.gz VTBPWHJMHPSOIZ-RYUDHWBXSA-N 0 3 239.334 3.244 20 0 BGADHN CC[C@H](CN(C)[C@H](C)c1ccccc1F)OC ZINC000412979773 191348108 /nfs/dbraw/zinc/34/81/08/191348108.db2.gz VTBPWHJMHPSOIZ-VXGBXAGGSA-N 0 3 239.334 3.244 20 0 BGADHN CC[C@H](CN(C)[C@H](C)c1cccs1)OC ZINC000412980595 385817710 /nfs/dbraw/zinc/81/77/10/385817710.db2.gz XVPWQFRMMMNOBV-GHMZBOCLSA-N 0 3 227.373 3.166 20 0 BGADHN CC[C@@H](CN(C)[C@H](C)c1cccs1)OC ZINC000412980596 385817213 /nfs/dbraw/zinc/81/72/13/385817213.db2.gz XVPWQFRMMMNOBV-MNOVXSKESA-N 0 3 227.373 3.166 20 0 BGADHN CC[C@@H](CN(C)[C@@H](C)c1cccs1)OC ZINC000412980597 205754322 /nfs/dbraw/zinc/75/43/22/205754322.db2.gz XVPWQFRMMMNOBV-QWRGUYRKSA-N 0 3 227.373 3.166 20 0 BGADHN CC[C@H](CN(C)[C@@H](C)c1cccs1)OC ZINC000412980598 385817606 /nfs/dbraw/zinc/81/76/06/385817606.db2.gz XVPWQFRMMMNOBV-WDEREUQCSA-N 0 3 227.373 3.166 20 0 BGADHN CN(C)CCSCC1CCC(F)(F)CC1 ZINC000412996118 191333051 /nfs/dbraw/zinc/33/30/51/191333051.db2.gz FLHDHSKMQGJLFX-UHFFFAOYSA-N 0 3 237.359 3.107 20 0 BGADHN Cc1ccc(CSCCN(C)C)c(C)c1 ZINC000413001049 191336251 /nfs/dbraw/zinc/33/62/51/191336251.db2.gz QMPHIGWCQAMONW-UHFFFAOYSA-N 0 3 223.385 3.098 20 0 BGADHN CC(C)N1CCCC[C@@H]1CSc1ncco1 ZINC000413005922 191337597 /nfs/dbraw/zinc/33/75/97/191337597.db2.gz NJQLSHCKDFKGIA-LLVKDONJSA-N 0 3 240.372 3.030 20 0 BGADHN CC(C)N1CCCC[C@H]1CSc1ncco1 ZINC000413005923 191337822 /nfs/dbraw/zinc/33/78/22/191337822.db2.gz NJQLSHCKDFKGIA-NSHDSACASA-N 0 3 240.372 3.030 20 0 BGADHN CCC[C@@H](CC)SCCN1CCCOCC1 ZINC000413008870 191339146 /nfs/dbraw/zinc/33/91/46/191339146.db2.gz ZGRWUTCHUXVYTO-CYBMUJFWSA-N 0 3 245.432 3.021 20 0 BGADHN CCC[C@H](CC)SCCN1CCCOCC1 ZINC000413008871 191339119 /nfs/dbraw/zinc/33/91/19/191339119.db2.gz ZGRWUTCHUXVYTO-ZDUSSCGKSA-N 0 3 245.432 3.021 20 0 BGADHN CCc1cc(N2Cc3cccc(F)c3C2)ccn1 ZINC000413440916 191383342 /nfs/dbraw/zinc/38/33/42/191383342.db2.gz SGTPVNPKOPDSGW-UHFFFAOYSA-N 0 3 242.297 3.303 20 0 BGADHN C[C@H](N[C@H]1CCCC[C@H]1C)c1cc2n(n1)CCC2 ZINC000414048603 385930529 /nfs/dbraw/zinc/93/05/29/385930529.db2.gz DWXAJSFSQDCTME-DYEKYZERSA-N 0 3 247.386 3.059 20 0 BGADHN C[C@H](N[C@@H]1CCCC[C@H]1C)c1cc2n(n1)CCC2 ZINC000414048604 385930085 /nfs/dbraw/zinc/93/00/85/385930085.db2.gz DWXAJSFSQDCTME-MBNYWOFBSA-N 0 3 247.386 3.059 20 0 BGADHN C[C@H](N[C@H]1CCCC[C@@H]1C)c1cc2n(n1)CCC2 ZINC000414048605 385929745 /nfs/dbraw/zinc/92/97/45/385929745.db2.gz DWXAJSFSQDCTME-OBJOEFQTSA-N 0 3 247.386 3.059 20 0 BGADHN C[C@H](N[C@@H]1CCCC[C@@H]1C)c1cc2n(n1)CCC2 ZINC000414048606 385931200 /nfs/dbraw/zinc/93/12/00/385931200.db2.gz DWXAJSFSQDCTME-SGMGOOAPSA-N 0 3 247.386 3.059 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1N[C@H](C)c1ccn(C)n1 ZINC000414054524 385933897 /nfs/dbraw/zinc/93/38/97/385933897.db2.gz BQRJAKJLBTXPRB-BZPMIXESSA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@@H]1CCCC[C@H]1N[C@@H](C)c1ccn(C)n1 ZINC000414054526 385932895 /nfs/dbraw/zinc/93/28/95/385932895.db2.gz BQRJAKJLBTXPRB-OUCADQQQSA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1N[C@@H](C)c1ccn(C)n1 ZINC000414054529 385932460 /nfs/dbraw/zinc/93/24/60/385932460.db2.gz BQRJAKJLBTXPRB-SCRDCRAPSA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@@H]1CCCC[C@H]1N[C@H](C)c1ccn(C)n1 ZINC000414054531 385933084 /nfs/dbraw/zinc/93/30/84/385933084.db2.gz BQRJAKJLBTXPRB-YRGRVCCFSA-N 0 3 235.375 3.040 20 0 BGADHN C[C@@H](NCC1CCCCC1)c1cc2n(n1)CCC2 ZINC000414058974 385936867 /nfs/dbraw/zinc/93/68/67/385936867.db2.gz VJNDZYIMTUTBBW-GFCCVEGCSA-N 0 3 247.386 3.060 20 0 BGADHN C[C@H](NCC1CCCCC1)c1cc2n(n1)CCC2 ZINC000414058977 191422358 /nfs/dbraw/zinc/42/23/58/191422358.db2.gz VJNDZYIMTUTBBW-LBPRGKRZSA-N 0 3 247.386 3.060 20 0 BGADHN CC(C)CC[C@@H](C)N[C@H](C)c1cc2n(n1)CCC2 ZINC000414059966 385936923 /nfs/dbraw/zinc/93/69/23/385936923.db2.gz XEFQSBYFOHJQKM-CHWSQXEVSA-N 0 3 249.402 3.305 20 0 BGADHN CC(C)CC[C@@H](C)N[C@@H](C)c1cc2n(n1)CCC2 ZINC000414059968 191423860 /nfs/dbraw/zinc/42/38/60/191423860.db2.gz XEFQSBYFOHJQKM-OLZOCXBDSA-N 0 3 249.402 3.305 20 0 BGADHN CC(C)CC[C@H](C)N[C@H](C)c1cc2n(n1)CCC2 ZINC000414059970 385937244 /nfs/dbraw/zinc/93/72/44/385937244.db2.gz XEFQSBYFOHJQKM-QWHCGFSZSA-N 0 3 249.402 3.305 20 0 BGADHN CC(C)CC[C@H](C)N[C@@H](C)c1cc2n(n1)CCC2 ZINC000414059971 385936116 /nfs/dbraw/zinc/93/61/16/385936116.db2.gz XEFQSBYFOHJQKM-STQMWFEESA-N 0 3 249.402 3.305 20 0 BGADHN CC(C)[C@H]1CCCC[C@@H]1N[C@@H](C)c1ccn(C)n1 ZINC000414060827 385936290 /nfs/dbraw/zinc/93/62/90/385936290.db2.gz AGPQJYNKFNNLRF-GUTXKFCHSA-N 0 3 249.402 3.286 20 0 BGADHN CC(C)[C@H]1CCCC[C@H]1N[C@@H](C)c1ccn(C)n1 ZINC000414060828 385936990 /nfs/dbraw/zinc/93/69/90/385936990.db2.gz AGPQJYNKFNNLRF-GZBFAFLISA-N 0 3 249.402 3.286 20 0 BGADHN CC(C)[C@@H]1CCCC[C@H]1N[C@@H](C)c1ccn(C)n1 ZINC000414060831 385936628 /nfs/dbraw/zinc/93/66/28/385936628.db2.gz AGPQJYNKFNNLRF-KCQAQPDRSA-N 0 3 249.402 3.286 20 0 BGADHN CC(C)[C@@H]1CCCC[C@@H]1N[C@@H](C)c1ccn(C)n1 ZINC000414060833 385937202 /nfs/dbraw/zinc/93/72/02/385937202.db2.gz AGPQJYNKFNNLRF-YDHLFZDLSA-N 0 3 249.402 3.286 20 0 BGADHN CCOc1ncccc1CN[C@H](CC)[C@H]1C[C@@H]1C ZINC000414063327 385940258 /nfs/dbraw/zinc/94/02/58/385940258.db2.gz MHPZXRXHCVWAOD-FPMFFAJLSA-N 0 3 248.370 3.005 20 0 BGADHN CCOc1ncccc1CN[C@H](CC)[C@@H]1C[C@@H]1C ZINC000414063329 385938641 /nfs/dbraw/zinc/93/86/41/385938641.db2.gz MHPZXRXHCVWAOD-IACUBPJLSA-N 0 3 248.370 3.005 20 0 BGADHN CCOc1ncccc1CN[C@H](CC)[C@H]1C[C@H]1C ZINC000414063330 385938572 /nfs/dbraw/zinc/93/85/72/385938572.db2.gz MHPZXRXHCVWAOD-KWCYVHTRSA-N 0 3 248.370 3.005 20 0 BGADHN CCOc1ncccc1CN[C@H](CC)[C@@H]1C[C@H]1C ZINC000414063332 385939362 /nfs/dbraw/zinc/93/93/62/385939362.db2.gz MHPZXRXHCVWAOD-MRVWCRGKSA-N 0 3 248.370 3.005 20 0 BGADHN C[C@@H](NCCC1CCCC1)c1cc2n(n1)CCC2 ZINC000414066113 385943033 /nfs/dbraw/zinc/94/30/33/385943033.db2.gz PGKNDIBALMJTBU-GFCCVEGCSA-N 0 3 247.386 3.060 20 0 BGADHN C[C@H](NCCC1CCCC1)c1cc2n(n1)CCC2 ZINC000414066117 385942491 /nfs/dbraw/zinc/94/24/91/385942491.db2.gz PGKNDIBALMJTBU-LBPRGKRZSA-N 0 3 247.386 3.060 20 0 BGADHN CC[C@@H](N[C@@H](C)c1ccn(C)n1)C1CCCCC1 ZINC000414069743 385945016 /nfs/dbraw/zinc/94/50/16/385945016.db2.gz JNKUDPMCURRWPK-GXTWGEPZSA-N 0 3 249.402 3.430 20 0 BGADHN CC[C@H](N[C@@H](C)c1ccn(C)n1)C1CCCCC1 ZINC000414069744 385944522 /nfs/dbraw/zinc/94/45/22/385944522.db2.gz JNKUDPMCURRWPK-JSGCOSHPSA-N 0 3 249.402 3.430 20 0 BGADHN CC[C@H](N[C@H](C)c1ccn(C)n1)C1CCCCC1 ZINC000414069745 385944276 /nfs/dbraw/zinc/94/42/76/385944276.db2.gz JNKUDPMCURRWPK-OCCSQVGLSA-N 0 3 249.402 3.430 20 0 BGADHN CC[C@@H](N[C@H](C)c1ccn(C)n1)C1CCCCC1 ZINC000414069746 385944428 /nfs/dbraw/zinc/94/44/28/385944428.db2.gz JNKUDPMCURRWPK-TZMCWYRMSA-N 0 3 249.402 3.430 20 0 BGADHN CC[C@@H]1CCC[C@@H]1N[C@H](C)c1cc2n(n1)CCC2 ZINC000414070400 385944340 /nfs/dbraw/zinc/94/43/40/385944340.db2.gz ANZYHDLUKKTQCN-BZPMIXESSA-N 0 3 247.386 3.059 20 0 BGADHN CC[C@@H]1CCC[C@H]1N[C@@H](C)c1cc2n(n1)CCC2 ZINC000414070402 385944202 /nfs/dbraw/zinc/94/42/02/385944202.db2.gz ANZYHDLUKKTQCN-OUCADQQQSA-N 0 3 247.386 3.059 20 0 BGADHN CC[C@@H]1CCC[C@@H]1N[C@@H](C)c1cc2n(n1)CCC2 ZINC000414070405 385944989 /nfs/dbraw/zinc/94/49/89/385944989.db2.gz ANZYHDLUKKTQCN-SCRDCRAPSA-N 0 3 247.386 3.059 20 0 BGADHN CC[C@@H]1CCC[C@H]1N[C@H](C)c1cc2n(n1)CCC2 ZINC000414070408 385945698 /nfs/dbraw/zinc/94/56/98/385945698.db2.gz ANZYHDLUKKTQCN-YRGRVCCFSA-N 0 3 247.386 3.059 20 0 BGADHN CCC1CCC(CN[C@@H](C)c2ccn(C)n2)CC1 ZINC000414070453 385944848 /nfs/dbraw/zinc/94/48/48/385944848.db2.gz JYLZFYHGHVWMJZ-HSBZDZAISA-N 0 3 249.402 3.287 20 0 BGADHN CCC1CCC(CN[C@H](C)c2ccn(C)n2)CC1 ZINC000414070457 385944482 /nfs/dbraw/zinc/94/44/82/385944482.db2.gz JYLZFYHGHVWMJZ-IYXRBSQSSA-N 0 3 249.402 3.287 20 0 BGADHN CCCOc1ncccc1CN[C@H](C)[C@H]1C[C@H]1C ZINC000414072404 385947458 /nfs/dbraw/zinc/94/74/58/385947458.db2.gz MNDPMDITEMFYGU-BZPMIXESSA-N 0 3 248.370 3.005 20 0 BGADHN CCCOc1ncccc1CN[C@H](C)[C@@H]1C[C@@H]1C ZINC000414072406 385948446 /nfs/dbraw/zinc/94/84/46/385948446.db2.gz MNDPMDITEMFYGU-OUCADQQQSA-N 0 3 248.370 3.005 20 0 BGADHN CCCOc1ncccc1CN[C@H](C)[C@H]1C[C@@H]1C ZINC000414072409 385947058 /nfs/dbraw/zinc/94/70/58/385947058.db2.gz MNDPMDITEMFYGU-SCRDCRAPSA-N 0 3 248.370 3.005 20 0 BGADHN CCCOc1ncccc1CN[C@H](C)[C@@H]1C[C@H]1C ZINC000414072411 385947952 /nfs/dbraw/zinc/94/79/52/385947952.db2.gz MNDPMDITEMFYGU-YRGRVCCFSA-N 0 3 248.370 3.005 20 0 BGADHN CCCC[C@@H]1CCC[C@@H]1N[C@@H](C)c1ccn(C)n1 ZINC000414075436 385947729 /nfs/dbraw/zinc/94/77/29/385947729.db2.gz NTFUVFYTCRELBU-GUTXKFCHSA-N 0 3 249.402 3.430 20 0 BGADHN CCCC[C@@H]1CCC[C@H]1N[C@@H](C)c1ccn(C)n1 ZINC000414075437 385947449 /nfs/dbraw/zinc/94/74/49/385947449.db2.gz NTFUVFYTCRELBU-GZBFAFLISA-N 0 3 249.402 3.430 20 0 BGADHN CCCC[C@@H]1CCC[C@@H]1N[C@H](C)c1ccn(C)n1 ZINC000414075438 385946297 /nfs/dbraw/zinc/94/62/97/385946297.db2.gz NTFUVFYTCRELBU-NFAWXSAZSA-N 0 3 249.402 3.430 20 0 BGADHN CCCC[C@@H]1CCC[C@H]1N[C@H](C)c1ccn(C)n1 ZINC000414075439 385946559 /nfs/dbraw/zinc/94/65/59/385946559.db2.gz NTFUVFYTCRELBU-UMVBOHGHSA-N 0 3 249.402 3.430 20 0 BGADHN C[C@@H](NCCCCC(C)(C)C)c1ccn(C)n1 ZINC000414077173 385949279 /nfs/dbraw/zinc/94/92/79/385949279.db2.gz PNBJYLUORDRLSE-GFCCVEGCSA-N 0 3 237.391 3.287 20 0 BGADHN C[C@H](NCCCCC(C)(C)C)c1ccn(C)n1 ZINC000414077177 385950523 /nfs/dbraw/zinc/95/05/23/385950523.db2.gz PNBJYLUORDRLSE-LBPRGKRZSA-N 0 3 237.391 3.287 20 0 BGADHN C[C@H](N[C@H]1CCC[C@@H](C)C1)c1cc2n(n1)CCC2 ZINC000414078001 385949744 /nfs/dbraw/zinc/94/97/44/385949744.db2.gz RPTNUOQMJYLFGD-AGIUHOORSA-N 0 3 247.386 3.059 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@@H](C)C1)c1cc2n(n1)CCC2 ZINC000414078002 385950220 /nfs/dbraw/zinc/95/02/20/385950220.db2.gz RPTNUOQMJYLFGD-FRRDWIJNSA-N 0 3 247.386 3.059 20 0 BGADHN C[C@@H](N[C@@H]1CCC[C@@H](C)C1)c1cc2n(n1)CCC2 ZINC000414078004 385949440 /nfs/dbraw/zinc/94/94/40/385949440.db2.gz RPTNUOQMJYLFGD-JHJVBQTASA-N 0 3 247.386 3.059 20 0 BGADHN C[C@@H](N[C@H]1CCC[C@@H](C)C1)c1cc2n(n1)CCC2 ZINC000414078006 385949787 /nfs/dbraw/zinc/94/97/87/385949787.db2.gz RPTNUOQMJYLFGD-UPJWGTAASA-N 0 3 247.386 3.059 20 0 BGADHN C[C@@H](N[C@@H](C)c1cc2n(n1)CCC2)C1CCCC1 ZINC000414079378 385950502 /nfs/dbraw/zinc/95/05/02/385950502.db2.gz CBDMBPJJDFRRLS-NEPJUHHUSA-N 0 3 247.386 3.059 20 0 BGADHN C[C@@H](N[C@@H](C)C1CCCC1)c1cc2n(n1)CCC2 ZINC000414079380 385949758 /nfs/dbraw/zinc/94/97/58/385949758.db2.gz CBDMBPJJDFRRLS-NWDGAFQWSA-N 0 3 247.386 3.059 20 0 BGADHN C[C@H](N[C@@H](C)C1CCCC1)c1cc2n(n1)CCC2 ZINC000414079381 385950419 /nfs/dbraw/zinc/95/04/19/385950419.db2.gz CBDMBPJJDFRRLS-RYUDHWBXSA-N 0 3 247.386 3.059 20 0 BGADHN C[C@@H](N[C@H](C)C1CCCC1)c1cc2n(n1)CCC2 ZINC000414079383 385949835 /nfs/dbraw/zinc/94/98/35/385949835.db2.gz CBDMBPJJDFRRLS-VXGBXAGGSA-N 0 3 247.386 3.059 20 0 BGADHN CCc1nc([C@H](C)N[C@H](C)[C@@H]2C[C@H]2C)cs1 ZINC000414082451 385951731 /nfs/dbraw/zinc/95/17/31/385951731.db2.gz FPGNPAQDHJGFBI-CHWFTXMASA-N 0 3 238.400 3.401 20 0 BGADHN CCc1nc([C@H](C)N[C@H](C)[C@H]2C[C@@H]2C)cs1 ZINC000414082454 385952356 /nfs/dbraw/zinc/95/23/56/385952356.db2.gz FPGNPAQDHJGFBI-VLEAKVRGSA-N 0 3 238.400 3.401 20 0 BGADHN CCc1nc([C@H](C)N[C@H](C)[C@H]2C[C@H]2C)cs1 ZINC000414082456 385952512 /nfs/dbraw/zinc/95/25/12/385952512.db2.gz FPGNPAQDHJGFBI-ZNSHCXBVSA-N 0 3 238.400 3.401 20 0 BGADHN CCc1nc([C@H](C)N[C@H](C)[C@@H]2C[C@@H]2C)cs1 ZINC000414082458 385952210 /nfs/dbraw/zinc/95/22/10/385952210.db2.gz FPGNPAQDHJGFBI-ZRUFSTJUSA-N 0 3 238.400 3.401 20 0 BGADHN CC[C@@H](N[C@H](C)c1cc2n(n1)CCC2)C(C)(C)C ZINC000414083027 385952460 /nfs/dbraw/zinc/95/24/60/385952460.db2.gz GAWLETGALBFZIQ-BXUZGUMPSA-N 0 3 249.402 3.305 20 0 BGADHN CC[C@H](N[C@@H](C)c1cc2n(n1)CCC2)C(C)(C)C ZINC000414083031 191428010 /nfs/dbraw/zinc/42/80/10/191428010.db2.gz GAWLETGALBFZIQ-FZMZJTMJSA-N 0 3 249.402 3.305 20 0 BGADHN CC[C@H](N[C@H](C)c1cc2n(n1)CCC2)C(C)(C)C ZINC000414083036 385953250 /nfs/dbraw/zinc/95/32/50/385953250.db2.gz GAWLETGALBFZIQ-RISCZKNCSA-N 0 3 249.402 3.305 20 0 BGADHN CC[C@@H](N[C@@H](C)c1cc2n(n1)CCC2)C(C)(C)C ZINC000414083040 385952317 /nfs/dbraw/zinc/95/23/17/385952317.db2.gz GAWLETGALBFZIQ-SMDDNHRTSA-N 0 3 249.402 3.305 20 0 BGADHN CCCC1(CN[C@H](C)c2ccn(C)n2)CCC1 ZINC000414083408 385951935 /nfs/dbraw/zinc/95/19/35/385951935.db2.gz DJMYGKUCESORTF-GFCCVEGCSA-N 0 3 235.375 3.041 20 0 BGADHN CCCC1(CN[C@@H](C)c2ccn(C)n2)CCC1 ZINC000414083411 385952527 /nfs/dbraw/zinc/95/25/27/385952527.db2.gz DJMYGKUCESORTF-LBPRGKRZSA-N 0 3 235.375 3.041 20 0 BGADHN CC(C)CC(C)(C)CN[C@H](C)c1ccn(C)n1 ZINC000414083741 385952536 /nfs/dbraw/zinc/95/25/36/385952536.db2.gz DTNQZQLKQUZKSV-GFCCVEGCSA-N 0 3 237.391 3.143 20 0 BGADHN CC(C)CC(C)(C)CN[C@@H](C)c1ccn(C)n1 ZINC000414083742 385952887 /nfs/dbraw/zinc/95/28/87/385952887.db2.gz DTNQZQLKQUZKSV-LBPRGKRZSA-N 0 3 237.391 3.143 20 0 BGADHN CCC(CC)(CC)CN[C@H](C)c1ccn(C)n1 ZINC000414085712 385954885 /nfs/dbraw/zinc/95/48/85/385954885.db2.gz GWXMZRWPOBROMT-GFCCVEGCSA-N 0 3 237.391 3.287 20 0 BGADHN CCC(CC)(CC)CN[C@@H](C)c1ccn(C)n1 ZINC000414085714 385954044 /nfs/dbraw/zinc/95/40/44/385954044.db2.gz GWXMZRWPOBROMT-LBPRGKRZSA-N 0 3 237.391 3.287 20 0 BGADHN C[C@H](N[C@H]1CCC(C)(C)C[C@H]1C)c1ccn(C)n1 ZINC000414087662 385955695 /nfs/dbraw/zinc/95/56/95/385955695.db2.gz BJGLGIUTGHZPHI-AGIUHOORSA-N 0 3 249.402 3.286 20 0 BGADHN C[C@H](N[C@H]1CCC(C)(C)C[C@@H]1C)c1ccn(C)n1 ZINC000414087667 385955706 /nfs/dbraw/zinc/95/57/06/385955706.db2.gz BJGLGIUTGHZPHI-AVGNSLFASA-N 0 3 249.402 3.286 20 0 BGADHN C[C@H](N[C@@H]1CCC(C)(C)C[C@H]1C)c1ccn(C)n1 ZINC000414087669 385955069 /nfs/dbraw/zinc/95/50/69/385955069.db2.gz BJGLGIUTGHZPHI-FRRDWIJNSA-N 0 3 249.402 3.286 20 0 BGADHN C[C@H](N[C@@H]1CCC(C)(C)C[C@@H]1C)c1ccn(C)n1 ZINC000414087672 385955686 /nfs/dbraw/zinc/95/56/86/385955686.db2.gz BJGLGIUTGHZPHI-RWMBFGLXSA-N 0 3 249.402 3.286 20 0 BGADHN CC(C)c1csc(CN[C@H](C)[C@H]2C[C@@H]2C)n1 ZINC000414087983 385955853 /nfs/dbraw/zinc/95/58/53/385955853.db2.gz ILZWBPKHBNNKAH-AXFHLTTASA-N 0 3 238.400 3.401 20 0 BGADHN CC(C)c1csc(CN[C@H](C)[C@@H]2C[C@H]2C)n1 ZINC000414087984 385955617 /nfs/dbraw/zinc/95/56/17/385955617.db2.gz ILZWBPKHBNNKAH-GMTAPVOTSA-N 0 3 238.400 3.401 20 0 BGADHN CC(C)c1csc(CN[C@H](C)[C@@H]2C[C@@H]2C)n1 ZINC000414087985 385954095 /nfs/dbraw/zinc/95/40/95/385954095.db2.gz ILZWBPKHBNNKAH-HBNTYKKESA-N 0 3 238.400 3.401 20 0 BGADHN CC(C)c1csc(CN[C@H](C)[C@H]2C[C@H]2C)n1 ZINC000414087986 385954127 /nfs/dbraw/zinc/95/41/27/385954127.db2.gz ILZWBPKHBNNKAH-MXWKQRLJSA-N 0 3 238.400 3.401 20 0 BGADHN C[C@@H](NCC(C)(C)C1CCCC1)c1ccn(C)n1 ZINC000414089667 385957031 /nfs/dbraw/zinc/95/70/31/385957031.db2.gz CIEMLWXHQQKDGM-GFCCVEGCSA-N 0 3 249.402 3.287 20 0 BGADHN C[C@H](NCC(C)(C)C1CCCC1)c1ccn(C)n1 ZINC000414089669 385957524 /nfs/dbraw/zinc/95/75/24/385957524.db2.gz CIEMLWXHQQKDGM-LBPRGKRZSA-N 0 3 249.402 3.287 20 0 BGADHN C[C@H](N[C@H]1CCCCC1(C)C)c1ccn(C)n1 ZINC000414094124 385959957 /nfs/dbraw/zinc/95/99/57/385959957.db2.gz GGDKXWKMNAYDHA-AAEUAGOBSA-N 0 3 235.375 3.040 20 0 BGADHN C[C@@H](N[C@@H]1CCCCC1(C)C)c1ccn(C)n1 ZINC000414094125 385960532 /nfs/dbraw/zinc/96/05/32/385960532.db2.gz GGDKXWKMNAYDHA-DGCLKSJQSA-N 0 3 235.375 3.040 20 0 BGADHN C[C@H](N[C@@H]1CCCCC1(C)C)c1ccn(C)n1 ZINC000414094126 385958769 /nfs/dbraw/zinc/95/87/69/385958769.db2.gz GGDKXWKMNAYDHA-WCQYABFASA-N 0 3 235.375 3.040 20 0 BGADHN C[C@@H](N[C@H]1CCCCC1(C)C)c1ccn(C)n1 ZINC000414094127 385959315 /nfs/dbraw/zinc/95/93/15/385959315.db2.gz GGDKXWKMNAYDHA-YPMHNXCESA-N 0 3 235.375 3.040 20 0 BGADHN C[C@H](NC1(c2ccccc2F)CC1)[C@@H]1C[C@H]1C ZINC000414094259 191430829 /nfs/dbraw/zinc/43/08/29/191430829.db2.gz IFAWTNZMNAUVDI-GRYCIOLGSA-N 0 3 233.330 3.449 20 0 BGADHN C[C@@H](NC1(c2ccccc2F)CC1)[C@@H]1C[C@H]1C ZINC000414094261 385960701 /nfs/dbraw/zinc/96/07/01/385960701.db2.gz IFAWTNZMNAUVDI-IJLUTSLNSA-N 0 3 233.330 3.449 20 0 BGADHN C[C@@H](NC1(c2ccccc2F)CC1)[C@H]1C[C@H]1C ZINC000414094263 385958919 /nfs/dbraw/zinc/95/89/19/385958919.db2.gz IFAWTNZMNAUVDI-UTUOFQBUSA-N 0 3 233.330 3.449 20 0 BGADHN C[C@H](NC1(c2ccccc2F)CC1)[C@H]1C[C@H]1C ZINC000414094264 385959762 /nfs/dbraw/zinc/95/97/62/385959762.db2.gz IFAWTNZMNAUVDI-WOPDTQHZSA-N 0 3 233.330 3.449 20 0 BGADHN C[C@H](N[C@@H]1CC[C@@H](C)CC1)c1cc2n(n1)CCC2 ZINC000414094477 385960414 /nfs/dbraw/zinc/96/04/14/385960414.db2.gz MZDQWWCEMYNBAB-AVGNSLFASA-N 0 3 247.386 3.059 20 0 BGADHN C[C@@H](N[C@@H]1CC[C@@H](C)CC1)c1cc2n(n1)CCC2 ZINC000414094478 385960204 /nfs/dbraw/zinc/96/02/04/385960204.db2.gz MZDQWWCEMYNBAB-JHJVBQTASA-N 0 3 247.386 3.059 20 0 BGADHN CC[C@H](C)C[C@H](C)N[C@@H](C)c1cc2n(n1)CCC2 ZINC000414095423 385958598 /nfs/dbraw/zinc/95/85/98/385958598.db2.gz PQEUNRXAQJCGQW-AVGNSLFASA-N 0 3 249.402 3.305 20 0 BGADHN CC[C@H](C)C[C@H](C)N[C@H](C)c1cc2n(n1)CCC2 ZINC000414095424 385960050 /nfs/dbraw/zinc/96/00/50/385960050.db2.gz PQEUNRXAQJCGQW-RWMBFGLXSA-N 0 3 249.402 3.305 20 0 BGADHN CC[C@H](C)C[C@@H](C)N[C@@H](C)c1cc2n(n1)CCC2 ZINC000414095426 385959013 /nfs/dbraw/zinc/95/90/13/385959013.db2.gz PQEUNRXAQJCGQW-XQQFMLRXSA-N 0 3 249.402 3.305 20 0 BGADHN CC[C@H](C)C[C@@H](C)N[C@H](C)c1cc2n(n1)CCC2 ZINC000414095428 385958984 /nfs/dbraw/zinc/95/89/84/385958984.db2.gz PQEUNRXAQJCGQW-YNEHKIRRSA-N 0 3 249.402 3.305 20 0 BGADHN CCC1(CN[C@H](C)c2cc3n(n2)CCC3)CCC1 ZINC000414095677 385959235 /nfs/dbraw/zinc/95/92/35/385959235.db2.gz HACNHVCJDDWVLF-GFCCVEGCSA-N 0 3 247.386 3.060 20 0 BGADHN CCC1(CN[C@@H](C)c2cc3n(n2)CCC3)CCC1 ZINC000414095678 385960215 /nfs/dbraw/zinc/96/02/15/385960215.db2.gz HACNHVCJDDWVLF-LBPRGKRZSA-N 0 3 247.386 3.060 20 0 BGADHN CCC1(CN[C@H](C)c2ccn(C)n2)CCCC1 ZINC000414096726 385962043 /nfs/dbraw/zinc/96/20/43/385962043.db2.gz HXHSBSXZDHFPED-GFCCVEGCSA-N 0 3 235.375 3.041 20 0 BGADHN CCC1(CN[C@@H](C)c2ccn(C)n2)CCCC1 ZINC000414096727 385962634 /nfs/dbraw/zinc/96/26/34/385962634.db2.gz HXHSBSXZDHFPED-LBPRGKRZSA-N 0 3 235.375 3.041 20 0 BGADHN C[C@H](N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1ccn(C)n1 ZINC000414099175 385961929 /nfs/dbraw/zinc/96/19/29/385961929.db2.gz JKUKTQDDPZZBCS-IGQOVBAYSA-N 0 3 247.386 3.040 20 0 BGADHN C[C@H](N[C@@H]1CC[C@H]2CCC[C@@H]2C1)c1ccn(C)n1 ZINC000414099178 385962588 /nfs/dbraw/zinc/96/25/88/385962588.db2.gz JKUKTQDDPZZBCS-REWJHTLYSA-N 0 3 247.386 3.040 20 0 BGADHN C[C@H](N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1ccn(C)n1 ZINC000414099181 385962299 /nfs/dbraw/zinc/96/22/99/385962299.db2.gz JKUKTQDDPZZBCS-RFQIPJPRSA-N 0 3 247.386 3.040 20 0 BGADHN C[C@H](N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1ccn(C)n1 ZINC000414099184 385961668 /nfs/dbraw/zinc/96/16/68/385961668.db2.gz JKUKTQDDPZZBCS-XDQVBPFNSA-N 0 3 247.386 3.040 20 0 BGADHN C[C@@H](NCc1ccn(C2CCCC2)n1)[C@H]1C[C@H]1C ZINC000414099635 385965252 /nfs/dbraw/zinc/96/52/52/385965252.db2.gz USJDFHFMNIVAPY-JMSVASOKSA-N 0 3 247.386 3.132 20 0 BGADHN C[C@@H](NCc1ccn(C2CCCC2)n1)[C@@H]1C[C@H]1C ZINC000414099639 385964081 /nfs/dbraw/zinc/96/40/81/385964081.db2.gz USJDFHFMNIVAPY-LALPHHSUSA-N 0 3 247.386 3.132 20 0 BGADHN C[C@H](NCc1ccn(C2CCCC2)n1)[C@@H]1C[C@H]1C ZINC000414099641 385964243 /nfs/dbraw/zinc/96/42/43/385964243.db2.gz USJDFHFMNIVAPY-TYNCELHUSA-N 0 3 247.386 3.132 20 0 BGADHN C[C@H](NCc1ccn(C2CCCC2)n1)[C@H]1C[C@H]1C ZINC000414099644 385964194 /nfs/dbraw/zinc/96/41/94/385964194.db2.gz USJDFHFMNIVAPY-XUJVJEKNSA-N 0 3 247.386 3.132 20 0 BGADHN C[C@@H](NCC1(C)CCCC1)c1cc2n(n1)CCC2 ZINC000414100999 385965374 /nfs/dbraw/zinc/96/53/74/385965374.db2.gz RUSYGGYVPQBAOC-GFCCVEGCSA-N 0 3 247.386 3.060 20 0 BGADHN C[C@H](NCC1(C)CCCC1)c1cc2n(n1)CCC2 ZINC000414101001 385964924 /nfs/dbraw/zinc/96/49/24/385964924.db2.gz RUSYGGYVPQBAOC-LBPRGKRZSA-N 0 3 247.386 3.060 20 0 BGADHN C[C@@H](NCC1(C)CCCCCC1)c1ccn(C)n1 ZINC000414101495 385965338 /nfs/dbraw/zinc/96/53/38/385965338.db2.gz LZNQGPNIGDUROE-CYBMUJFWSA-N 0 3 249.402 3.431 20 0 BGADHN C[C@H](NCC1(C)CCCCCC1)c1ccn(C)n1 ZINC000414101496 385964772 /nfs/dbraw/zinc/96/47/72/385964772.db2.gz LZNQGPNIGDUROE-ZDUSSCGKSA-N 0 3 249.402 3.431 20 0 BGADHN C[C@@H](NCC1(C)CCCCC1)c1ccn(C)n1 ZINC000414102225 385964990 /nfs/dbraw/zinc/96/49/90/385964990.db2.gz XCFMFMPNBXZWQV-GFCCVEGCSA-N 0 3 235.375 3.041 20 0 BGADHN C[C@H](NCC1(C)CCCCC1)c1ccn(C)n1 ZINC000414102226 385965239 /nfs/dbraw/zinc/96/52/39/385965239.db2.gz XCFMFMPNBXZWQV-LBPRGKRZSA-N 0 3 235.375 3.041 20 0 BGADHN CCC[C@H](CC)N[C@H](C)c1cc2n(n1)CCC2 ZINC000414102865 385964156 /nfs/dbraw/zinc/96/41/56/385964156.db2.gz TVZGPPWLHRJRPW-NEPJUHHUSA-N 0 3 235.375 3.059 20 0 BGADHN CCC[C@@H](CC)N[C@@H](C)c1cc2n(n1)CCC2 ZINC000414102867 385963831 /nfs/dbraw/zinc/96/38/31/385963831.db2.gz TVZGPPWLHRJRPW-NWDGAFQWSA-N 0 3 235.375 3.059 20 0 BGADHN CCC[C@H](CC)N[C@@H](C)c1cc2n(n1)CCC2 ZINC000414102869 385964947 /nfs/dbraw/zinc/96/49/47/385964947.db2.gz TVZGPPWLHRJRPW-RYUDHWBXSA-N 0 3 235.375 3.059 20 0 BGADHN CCC[C@@H](CC)N[C@H](C)c1cc2n(n1)CCC2 ZINC000414102870 385965466 /nfs/dbraw/zinc/96/54/66/385965466.db2.gz TVZGPPWLHRJRPW-VXGBXAGGSA-N 0 3 235.375 3.059 20 0 BGADHN C[C@H](N[C@@H]1C[C@H]1C1CCCCC1)c1ccn(C)n1 ZINC000414103465 385964218 /nfs/dbraw/zinc/96/42/18/385964218.db2.gz YIGANVROSWQONL-CORIIIEPSA-N 0 3 247.386 3.040 20 0 BGADHN C[C@H](N[C@H]1C[C@@H]1C1CCCCC1)c1ccn(C)n1 ZINC000414103467 385964629 /nfs/dbraw/zinc/96/46/29/385964629.db2.gz YIGANVROSWQONL-LNSITVRQSA-N 0 3 247.386 3.040 20 0 BGADHN C[C@H](N[C@@H]1C[C@@H]1C1CCCCC1)c1ccn(C)n1 ZINC000414103470 191432571 /nfs/dbraw/zinc/43/25/71/191432571.db2.gz YIGANVROSWQONL-NJZAAPMLSA-N 0 3 247.386 3.040 20 0 BGADHN C[C@H](N[C@H]1C[C@H]1C1CCCCC1)c1ccn(C)n1 ZINC000414103472 385967603 /nfs/dbraw/zinc/96/76/03/385967603.db2.gz YIGANVROSWQONL-WHOFXGATSA-N 0 3 247.386 3.040 20 0 BGADHN C[C@@H](NCc1nc(C2CC2)cs1)[C@@H]1C[C@H]1C ZINC000414103772 385966337 /nfs/dbraw/zinc/96/63/37/385966337.db2.gz YNCOZOXSVATOMP-FXPVBKGRSA-N 0 3 236.384 3.155 20 0 BGADHN C[C@@H](NCc1nc(C2CC2)cs1)[C@H]1C[C@H]1C ZINC000414103773 385966957 /nfs/dbraw/zinc/96/69/57/385966957.db2.gz YNCOZOXSVATOMP-KKZNHRDASA-N 0 3 236.384 3.155 20 0 BGADHN C[C@H](NCc1nc(C2CC2)cs1)[C@@H]1C[C@H]1C ZINC000414103775 385966518 /nfs/dbraw/zinc/96/65/18/385966518.db2.gz YNCOZOXSVATOMP-WCABBAIRSA-N 0 3 236.384 3.155 20 0 BGADHN C[C@H](NCc1nc(C2CC2)cs1)[C@H]1C[C@H]1C ZINC000414103777 385966606 /nfs/dbraw/zinc/96/66/06/385966606.db2.gz YNCOZOXSVATOMP-YWVKMMECSA-N 0 3 236.384 3.155 20 0 BGADHN CCCC1(CN[C@H](C)c2cc3n(n2)CCC3)CC1 ZINC000414105004 385967697 /nfs/dbraw/zinc/96/76/97/385967697.db2.gz ZPSQRADNFXQIHI-GFCCVEGCSA-N 0 3 247.386 3.060 20 0 BGADHN CCCC1(CN[C@@H](C)c2cc3n(n2)CCC3)CC1 ZINC000414105006 385968030 /nfs/dbraw/zinc/96/80/30/385968030.db2.gz ZPSQRADNFXQIHI-LBPRGKRZSA-N 0 3 247.386 3.060 20 0 BGADHN CC[C@H](NCc1nccn1CC(C)C)[C@H]1C[C@@H]1C ZINC000414109155 398217651 /nfs/dbraw/zinc/21/76/51/398217651.db2.gz GXNDPFZDZHWEAL-IHRRRGAJSA-N 0 3 249.402 3.063 20 0 BGADHN CC[C@H](NCc1nccn1CC(C)C)[C@@H]1C[C@H]1C ZINC000414109158 398217453 /nfs/dbraw/zinc/21/74/53/398217453.db2.gz GXNDPFZDZHWEAL-MCIONIFRSA-N 0 3 249.402 3.063 20 0 BGADHN CC[C@H](NCc1nccn1CC(C)C)[C@@H]1C[C@@H]1C ZINC000414109159 385968815 /nfs/dbraw/zinc/96/88/15/385968815.db2.gz GXNDPFZDZHWEAL-MJBXVCDLSA-N 0 3 249.402 3.063 20 0 BGADHN CC[C@H](NCc1nccn1CC(C)C)[C@H]1C[C@H]1C ZINC000414109162 385968603 /nfs/dbraw/zinc/96/86/03/385968603.db2.gz GXNDPFZDZHWEAL-RDBSUJKOSA-N 0 3 249.402 3.063 20 0 BGADHN C[C@@H](NCCCCC1CCCC1)c1ccn(C)n1 ZINC000414118200 386012285 /nfs/dbraw/zinc/01/22/85/386012285.db2.gz USDSVTCPDMYYBJ-CYBMUJFWSA-N 0 3 249.402 3.431 20 0 BGADHN C[C@H](NCCCCC1CCCC1)c1ccn(C)n1 ZINC000414118201 386010738 /nfs/dbraw/zinc/01/07/38/386010738.db2.gz USDSVTCPDMYYBJ-ZDUSSCGKSA-N 0 3 249.402 3.431 20 0 BGADHN C[C@H](NCc1c(F)cc(F)cc1F)[C@@H]1C[C@H]1C ZINC000414118471 386012112 /nfs/dbraw/zinc/01/21/12/386012112.db2.gz ASMZLYSFSXHPSV-KHQFGBGNSA-N 0 3 243.272 3.238 20 0 BGADHN C[C@@H](NCc1c(F)cc(F)cc1F)[C@H]1C[C@H]1C ZINC000414118472 386011883 /nfs/dbraw/zinc/01/18/83/386011883.db2.gz ASMZLYSFSXHPSV-MRTMQBJTSA-N 0 3 243.272 3.238 20 0 BGADHN C[C@@H](NCc1c(F)cc(F)cc1F)[C@@H]1C[C@H]1C ZINC000414118473 386011971 /nfs/dbraw/zinc/01/19/71/386011971.db2.gz ASMZLYSFSXHPSV-NQMVMOMDSA-N 0 3 243.272 3.238 20 0 BGADHN C[C@H](NCc1c(F)cc(F)cc1F)[C@H]1C[C@H]1C ZINC000414118474 386012247 /nfs/dbraw/zinc/01/22/47/386012247.db2.gz ASMZLYSFSXHPSV-WEDXCCLWSA-N 0 3 243.272 3.238 20 0 BGADHN CC[C@H]1CC[C@H](N[C@@H](C)c2ccn(C)n2)CC1 ZINC000414118910 386012129 /nfs/dbraw/zinc/01/21/29/386012129.db2.gz BXYCTRYXFKMCBH-AVGNSLFASA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@H]1CC[C@H](N[C@H](C)c2ccn(C)n2)CC1 ZINC000414118912 386010977 /nfs/dbraw/zinc/01/09/77/386010977.db2.gz BXYCTRYXFKMCBH-JHJVBQTASA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@@H](NCc1cnc(C2CC2)o1)[C@H]1CC1(C)C ZINC000414118964 386010546 /nfs/dbraw/zinc/01/05/46/386010546.db2.gz AGORAHYBLRKFAC-CHWSQXEVSA-N 0 3 248.370 3.466 20 0 BGADHN CC[C@H](NCc1cnc(C2CC2)o1)[C@H]1CC1(C)C ZINC000414118966 386011075 /nfs/dbraw/zinc/01/10/75/386011075.db2.gz AGORAHYBLRKFAC-OLZOCXBDSA-N 0 3 248.370 3.466 20 0 BGADHN CC[C@@H](NCc1cnc(C2CC2)o1)[C@@H]1CC1(C)C ZINC000414118968 386012196 /nfs/dbraw/zinc/01/21/96/386012196.db2.gz AGORAHYBLRKFAC-QWHCGFSZSA-N 0 3 248.370 3.466 20 0 BGADHN CC[C@H](NCc1cnc(C2CC2)o1)[C@@H]1CC1(C)C ZINC000414118970 386011814 /nfs/dbraw/zinc/01/18/14/386011814.db2.gz AGORAHYBLRKFAC-STQMWFEESA-N 0 3 248.370 3.466 20 0 BGADHN CC[C@H](NCc1cnc(C2CC2)o1)[C@@H]1C[C@@H]1C ZINC000414119045 386010845 /nfs/dbraw/zinc/01/08/45/386010845.db2.gz AQAVFFOPLQUSBG-BIMULSAOSA-N 0 3 234.343 3.076 20 0 BGADHN CC[C@H](NCc1cnc(C2CC2)o1)[C@H]1C[C@H]1C ZINC000414119046 386012169 /nfs/dbraw/zinc/01/21/69/386012169.db2.gz AQAVFFOPLQUSBG-ICCXJUOJSA-N 0 3 234.343 3.076 20 0 BGADHN CC[C@H](NCc1cnc(C2CC2)o1)[C@@H]1C[C@H]1C ZINC000414119047 386011655 /nfs/dbraw/zinc/01/16/55/386011655.db2.gz AQAVFFOPLQUSBG-WQAKAFBOSA-N 0 3 234.343 3.076 20 0 BGADHN CC[C@H](NCc1cnc(C2CC2)o1)[C@H]1C[C@@H]1C ZINC000414119048 386012096 /nfs/dbraw/zinc/01/20/96/386012096.db2.gz AQAVFFOPLQUSBG-XDTLVQLUSA-N 0 3 234.343 3.076 20 0 BGADHN CCCc1nc(C)c(CN[C@H](C)[C@@H]2C[C@H]2C)o1 ZINC000414119599 386013420 /nfs/dbraw/zinc/01/34/20/386013420.db2.gz DJRYOXJPYQSLSE-CKYFFXLPSA-N 0 3 236.359 3.070 20 0 BGADHN CCCc1nc(C)c(CN[C@H](C)[C@H]2C[C@H]2C)o1 ZINC000414119600 386014153 /nfs/dbraw/zinc/01/41/53/386014153.db2.gz DJRYOXJPYQSLSE-FOGDFJRCSA-N 0 3 236.359 3.070 20 0 BGADHN CCCc1nc(C)c(CN[C@H](C)[C@@H]2C[C@@H]2C)o1 ZINC000414119601 386014248 /nfs/dbraw/zinc/01/42/48/386014248.db2.gz DJRYOXJPYQSLSE-HOSYDEDBSA-N 0 3 236.359 3.070 20 0 BGADHN CCCc1nc(C)c(CN[C@H](C)[C@H]2C[C@@H]2C)o1 ZINC000414119602 386013452 /nfs/dbraw/zinc/01/34/52/386013452.db2.gz DJRYOXJPYQSLSE-UMNHJUIQSA-N 0 3 236.359 3.070 20 0 BGADHN CC(C)CC1(CN[C@H](C)c2ccn(C)n2)CCC1 ZINC000414121546 386014819 /nfs/dbraw/zinc/01/48/19/386014819.db2.gz ZREIPMODOLPAJD-CYBMUJFWSA-N 0 3 249.402 3.287 20 0 BGADHN CC(C)CC1(CN[C@@H](C)c2ccn(C)n2)CCC1 ZINC000414121547 386012948 /nfs/dbraw/zinc/01/29/48/386012948.db2.gz ZREIPMODOLPAJD-ZDUSSCGKSA-N 0 3 249.402 3.287 20 0 BGADHN C[C@H](N[C@H]1c2ccc(F)cc2O[C@H]1C)[C@H]1C[C@H]1C ZINC000414121994 386014687 /nfs/dbraw/zinc/01/46/87/386014687.db2.gz AURUBDJHUUQDNC-IUSAVQQQSA-N 0 3 249.329 3.282 20 0 BGADHN C[C@H](N[C@H]1c2ccc(F)cc2O[C@@H]1C)[C@H]1C[C@H]1C ZINC000414122000 386014859 /nfs/dbraw/zinc/01/48/59/386014859.db2.gz AURUBDJHUUQDNC-LZPHKIDHSA-N 0 3 249.329 3.282 20 0 BGADHN C[C@H](N[C@@H]1c2ccc(F)cc2O[C@H]1C)[C@H]1C[C@H]1C ZINC000414122004 386014923 /nfs/dbraw/zinc/01/49/23/386014923.db2.gz AURUBDJHUUQDNC-PLECTHQTSA-N 0 3 249.329 3.282 20 0 BGADHN C[C@H](N[C@@H]1c2ccc(F)cc2O[C@@H]1C)[C@H]1C[C@H]1C ZINC000414122008 386014140 /nfs/dbraw/zinc/01/41/40/386014140.db2.gz AURUBDJHUUQDNC-WJNGYNTMSA-N 0 3 249.329 3.282 20 0 BGADHN CC(C)C(C)(C)CN[C@H](C)c1cc2n(n1)CCC2 ZINC000414122154 385971515 /nfs/dbraw/zinc/97/15/15/385971515.db2.gz AJKMYTXDYIVUGU-GFCCVEGCSA-N 0 3 249.402 3.162 20 0 BGADHN CC(C)C(C)(C)CN[C@@H](C)c1cc2n(n1)CCC2 ZINC000414122158 385973029 /nfs/dbraw/zinc/97/30/29/385973029.db2.gz AJKMYTXDYIVUGU-LBPRGKRZSA-N 0 3 249.402 3.162 20 0 BGADHN C[C@H](CCC1CC1)N[C@@H](C)c1cc2n(n1)CCC2 ZINC000414124457 385972380 /nfs/dbraw/zinc/97/23/80/385972380.db2.gz CCJRFJCFXBSWBO-NEPJUHHUSA-N 0 3 247.386 3.059 20 0 BGADHN C[C@@H](N[C@@H](C)CCC1CC1)c1cc2n(n1)CCC2 ZINC000414124458 385972480 /nfs/dbraw/zinc/97/24/80/385972480.db2.gz CCJRFJCFXBSWBO-NWDGAFQWSA-N 0 3 247.386 3.059 20 0 BGADHN C[C@@H](CCC1CC1)N[C@@H](C)c1cc2n(n1)CCC2 ZINC000414124460 385972808 /nfs/dbraw/zinc/97/28/08/385972808.db2.gz CCJRFJCFXBSWBO-RYUDHWBXSA-N 0 3 247.386 3.059 20 0 BGADHN C[C@H](CCC1CC1)N[C@H](C)c1cc2n(n1)CCC2 ZINC000414124462 385972008 /nfs/dbraw/zinc/97/20/08/385972008.db2.gz CCJRFJCFXBSWBO-VXGBXAGGSA-N 0 3 247.386 3.059 20 0 BGADHN CC[C@H](N[C@@H]1COc2ccc(F)cc21)[C@H]1C[C@H]1C ZINC000414124557 385975314 /nfs/dbraw/zinc/97/53/14/385975314.db2.gz CGEURYOOIMYKEB-DGFQIJBJSA-N 0 3 249.329 3.283 20 0 BGADHN CC[C@H](N[C@@H]1COc2ccc(F)cc21)[C@H]1C[C@@H]1C ZINC000414124560 385974825 /nfs/dbraw/zinc/97/48/25/385974825.db2.gz CGEURYOOIMYKEB-DTCNJJKHSA-N 0 3 249.329 3.283 20 0 BGADHN CC[C@H](N[C@@H]1COc2ccc(F)cc21)[C@@H]1C[C@@H]1C ZINC000414124562 385975335 /nfs/dbraw/zinc/97/53/35/385975335.db2.gz CGEURYOOIMYKEB-PCGAWMICSA-N 0 3 249.329 3.283 20 0 BGADHN CC[C@H](N[C@@H]1COc2ccc(F)cc21)[C@@H]1C[C@H]1C ZINC000414124563 385976098 /nfs/dbraw/zinc/97/60/98/385976098.db2.gz CGEURYOOIMYKEB-QIRAZROLSA-N 0 3 249.329 3.283 20 0 BGADHN CC[C@H](N[C@@H](C)c1cc(C)on1)[C@@H]1CC1(C)C ZINC000414125232 385974131 /nfs/dbraw/zinc/97/41/31/385974131.db2.gz DADOGDONRRAPQG-SRVKXCTJSA-N 0 3 236.359 3.458 20 0 BGADHN CC[C@H](N[C@@H](C)c1cc(C)on1)[C@H]1CC1(C)C ZINC000414125233 385975805 /nfs/dbraw/zinc/97/58/05/385975805.db2.gz DADOGDONRRAPQG-TUAOUCFPSA-N 0 3 236.359 3.458 20 0 BGADHN CC[C@H](N[C@H](C)c1cc(C)on1)[C@H]1CC1(C)C ZINC000414125234 385975891 /nfs/dbraw/zinc/97/58/91/385975891.db2.gz DADOGDONRRAPQG-UTUOFQBUSA-N 0 3 236.359 3.458 20 0 BGADHN CC[C@H](N[C@H](C)c1cc(C)on1)[C@@H]1CC1(C)C ZINC000414125235 385975277 /nfs/dbraw/zinc/97/52/77/385975277.db2.gz DADOGDONRRAPQG-WOPDTQHZSA-N 0 3 236.359 3.458 20 0 BGADHN CC[C@H](N[C@@H](C)c1ccon1)[C@H]1CC1(C)C ZINC000414125857 385976035 /nfs/dbraw/zinc/97/60/35/385976035.db2.gz DLBZNOFDCBDOSD-AXFHLTTASA-N 0 3 222.332 3.150 20 0 BGADHN CC[C@H](N[C@@H](C)c1ccon1)[C@@H]1CC1(C)C ZINC000414126061 385974548 /nfs/dbraw/zinc/97/45/48/385974548.db2.gz DLBZNOFDCBDOSD-DCAQKATOSA-N 0 3 222.332 3.150 20 0 BGADHN CC[C@H](N[C@H](C)c1ccon1)[C@H]1CC1(C)C ZINC000414126062 385975471 /nfs/dbraw/zinc/97/54/71/385975471.db2.gz DLBZNOFDCBDOSD-MXWKQRLJSA-N 0 3 222.332 3.150 20 0 BGADHN CC[C@H](N[C@H](C)c1ccon1)[C@@H]1CC1(C)C ZINC000414126063 385976124 /nfs/dbraw/zinc/97/61/24/385976124.db2.gz DLBZNOFDCBDOSD-VWYCJHECSA-N 0 3 222.332 3.150 20 0 BGADHN C[C@@H](NCC1(C)CCC(C)CC1)c1ccn(C)n1 ZINC000414126404 385975549 /nfs/dbraw/zinc/97/55/49/385975549.db2.gz FCEKEPKYHCGEST-JVWICGRDSA-N 0 3 249.402 3.287 20 0 BGADHN C[C@H](NCC1(C)CCC(C)CC1)c1ccn(C)n1 ZINC000414126405 385974603 /nfs/dbraw/zinc/97/46/03/385974603.db2.gz FCEKEPKYHCGEST-OWYJLGKBSA-N 0 3 249.402 3.287 20 0 BGADHN CC[C@H](NCc1ccn(C(C)C)n1)[C@@H]1CC1(C)C ZINC000414126508 385974242 /nfs/dbraw/zinc/97/42/42/385974242.db2.gz RLHRVLHDTJUEFC-KBPBESRZSA-N 0 3 249.402 3.378 20 0 BGADHN CC[C@H](NCc1ccn(C(C)C)n1)[C@H]1CC1(C)C ZINC000414126509 385975528 /nfs/dbraw/zinc/97/55/28/385975528.db2.gz RLHRVLHDTJUEFC-KGLIPLIRSA-N 0 3 249.402 3.378 20 0 BGADHN CC[C@@H](NCc1ccn(C(C)C)n1)[C@@H]1CC1(C)C ZINC000414126511 385974865 /nfs/dbraw/zinc/97/48/65/385974865.db2.gz RLHRVLHDTJUEFC-UONOGXRCSA-N 0 3 249.402 3.378 20 0 BGADHN CC[C@@H](NCc1ccn(C(C)C)n1)[C@H]1CC1(C)C ZINC000414126512 385974902 /nfs/dbraw/zinc/97/49/02/385974902.db2.gz RLHRVLHDTJUEFC-ZIAGYGMSSA-N 0 3 249.402 3.378 20 0 BGADHN CC[C@H](N[C@H](C)c1ccncc1F)[C@@H]1C[C@H]1C ZINC000414126798 191435780 /nfs/dbraw/zinc/43/57/80/191435780.db2.gz FMJDWDHLEWKXEL-FTUHBYGFSA-N 0 3 236.334 3.306 20 0 BGADHN CC[C@H](N[C@H](C)c1ccncc1F)[C@H]1C[C@H]1C ZINC000414126799 385976189 /nfs/dbraw/zinc/97/61/89/385976189.db2.gz FMJDWDHLEWKXEL-KLTVKPSUSA-N 0 3 236.334 3.306 20 0 BGADHN CC[C@H](N[C@H](C)c1ccncc1F)[C@H]1C[C@@H]1C ZINC000414126800 385975607 /nfs/dbraw/zinc/97/56/07/385975607.db2.gz FMJDWDHLEWKXEL-QPPBUOOMSA-N 0 3 236.334 3.306 20 0 BGADHN CC[C@H](N[C@H](C)c1ccncc1F)[C@@H]1C[C@@H]1C ZINC000414126801 385975581 /nfs/dbraw/zinc/97/55/81/385975581.db2.gz FMJDWDHLEWKXEL-SVBLFDIKSA-N 0 3 236.334 3.306 20 0 BGADHN CCC1(CN[C@H](C)c2ccn(C)n2)CCCCC1 ZINC000414126959 385976012 /nfs/dbraw/zinc/97/60/12/385976012.db2.gz FNPNHOCJPRCVSX-CYBMUJFWSA-N 0 3 249.402 3.431 20 0 BGADHN CCC1(CN[C@@H](C)c2ccn(C)n2)CCCCC1 ZINC000414126960 385975256 /nfs/dbraw/zinc/97/52/56/385975256.db2.gz FNPNHOCJPRCVSX-ZDUSSCGKSA-N 0 3 249.402 3.431 20 0 BGADHN C[C@H](NCC[C@H]1CCCC[C@H]1C)c1ccn(C)n1 ZINC000414128373 385976661 /nfs/dbraw/zinc/97/66/61/385976661.db2.gz TYHGLMXHSQAAAD-HZSPNIEDSA-N 0 3 249.402 3.287 20 0 BGADHN C[C@H](NCC[C@@H]1CCCC[C@@H]1C)c1ccn(C)n1 ZINC000414128374 385976747 /nfs/dbraw/zinc/97/67/47/385976747.db2.gz TYHGLMXHSQAAAD-IHRRRGAJSA-N 0 3 249.402 3.287 20 0 BGADHN C[C@H](NCC[C@H]1CCCC[C@@H]1C)c1ccn(C)n1 ZINC000414128375 385977001 /nfs/dbraw/zinc/97/70/01/385977001.db2.gz TYHGLMXHSQAAAD-MELADBBJSA-N 0 3 249.402 3.287 20 0 BGADHN C[C@H](NCC[C@@H]1CCCC[C@H]1C)c1ccn(C)n1 ZINC000414128376 385977299 /nfs/dbraw/zinc/97/72/99/385977299.db2.gz TYHGLMXHSQAAAD-RDBSUJKOSA-N 0 3 249.402 3.287 20 0 BGADHN C[C@@H](N[C@@H](C)c1ccn(C)n1)C1CCCCC1 ZINC000414129760 385976971 /nfs/dbraw/zinc/97/69/71/385976971.db2.gz VJKIPWJXNQYFQH-NEPJUHHUSA-N 0 3 235.375 3.040 20 0 BGADHN C[C@@H](N[C@@H](C)C1CCCCC1)c1ccn(C)n1 ZINC000414129762 385977414 /nfs/dbraw/zinc/97/74/14/385977414.db2.gz VJKIPWJXNQYFQH-NWDGAFQWSA-N 0 3 235.375 3.040 20 0 BGADHN C[C@H](N[C@@H](C)C1CCCCC1)c1ccn(C)n1 ZINC000414129765 385977011 /nfs/dbraw/zinc/97/70/11/385977011.db2.gz VJKIPWJXNQYFQH-RYUDHWBXSA-N 0 3 235.375 3.040 20 0 BGADHN C[C@@H](N[C@H](C)C1CCCCC1)c1ccn(C)n1 ZINC000414129768 385977210 /nfs/dbraw/zinc/97/72/10/385977210.db2.gz VJKIPWJXNQYFQH-VXGBXAGGSA-N 0 3 235.375 3.040 20 0 BGADHN Cc1ccc([C@H](C)N[C@H]2C[C@@H](OC(C)C)C2)o1 ZINC000414132219 385979920 /nfs/dbraw/zinc/97/99/20/385979920.db2.gz ABSVWYWOZULKOP-RWMBFGLXSA-N 0 3 237.343 3.195 20 0 BGADHN Cc1ccc([C@@H](C)N[C@H]2C[C@@H](OC(C)C)C2)o1 ZINC000414132221 385978268 /nfs/dbraw/zinc/97/82/68/385978268.db2.gz ABSVWYWOZULKOP-UPJWGTAASA-N 0 3 237.343 3.195 20 0 BGADHN C[C@H](CC1CCCCC1)N[C@H](C)c1ccn(C)n1 ZINC000414133249 385981066 /nfs/dbraw/zinc/98/10/66/385981066.db2.gz GHZFTEQVQSWICP-CHWSQXEVSA-N 0 3 249.402 3.430 20 0 BGADHN C[C@H](CC1CCCCC1)N[C@@H](C)c1ccn(C)n1 ZINC000414133252 385982387 /nfs/dbraw/zinc/98/23/87/385982387.db2.gz GHZFTEQVQSWICP-OLZOCXBDSA-N 0 3 249.402 3.430 20 0 BGADHN C[C@@H](N[C@@H](C)CC1CCCCC1)c1ccn(C)n1 ZINC000414133256 385982230 /nfs/dbraw/zinc/98/22/30/385982230.db2.gz GHZFTEQVQSWICP-QWHCGFSZSA-N 0 3 249.402 3.430 20 0 BGADHN C[C@@H](CC1CCCCC1)N[C@@H](C)c1ccn(C)n1 ZINC000414133260 385981847 /nfs/dbraw/zinc/98/18/47/385981847.db2.gz GHZFTEQVQSWICP-STQMWFEESA-N 0 3 249.402 3.430 20 0 BGADHN C[C@@H](NCCC1=CCCCCC1)c1ccn(C)n1 ZINC000414133499 385981946 /nfs/dbraw/zinc/98/19/46/385981946.db2.gz NCPJUMIUSNVBQC-CYBMUJFWSA-N 0 3 247.386 3.351 20 0 BGADHN C[C@H](NCCC1=CCCCCC1)c1ccn(C)n1 ZINC000414133501 385981735 /nfs/dbraw/zinc/98/17/35/385981735.db2.gz NCPJUMIUSNVBQC-ZDUSSCGKSA-N 0 3 247.386 3.351 20 0 BGADHN C[C@H](N[C@H]1CCC[C@@H](C)CC1)c1ccn(C)n1 ZINC000414134204 385982166 /nfs/dbraw/zinc/98/21/66/385982166.db2.gz NRHYNFRQMNQJTP-AGIUHOORSA-N 0 3 235.375 3.040 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@@H](C)CC1)c1ccn(C)n1 ZINC000414134206 385981379 /nfs/dbraw/zinc/98/13/79/385981379.db2.gz NRHYNFRQMNQJTP-FRRDWIJNSA-N 0 3 235.375 3.040 20 0 BGADHN C[C@@H](N[C@@H]1CCC[C@@H](C)CC1)c1ccn(C)n1 ZINC000414134207 385982279 /nfs/dbraw/zinc/98/22/79/385982279.db2.gz NRHYNFRQMNQJTP-JHJVBQTASA-N 0 3 235.375 3.040 20 0 BGADHN C[C@@H](N[C@H]1CCC[C@@H](C)CC1)c1ccn(C)n1 ZINC000414134210 385981186 /nfs/dbraw/zinc/98/11/86/385981186.db2.gz NRHYNFRQMNQJTP-UPJWGTAASA-N 0 3 235.375 3.040 20 0 BGADHN CCCc1ncc(CN[C@H](CC)[C@@H]2C[C@@H]2C)o1 ZINC000414134735 385982023 /nfs/dbraw/zinc/98/20/23/385982023.db2.gz CCQAQPCUKRMQMC-CYZMBNFOSA-N 0 3 236.359 3.151 20 0 BGADHN CCCc1ncc(CN[C@H](CC)[C@H]2C[C@H]2C)o1 ZINC000414134738 385981695 /nfs/dbraw/zinc/98/16/95/385981695.db2.gz CCQAQPCUKRMQMC-KGYLQXTDSA-N 0 3 236.359 3.151 20 0 BGADHN CCCc1ncc(CN[C@H](CC)[C@@H]2C[C@H]2C)o1 ZINC000414134741 385982613 /nfs/dbraw/zinc/98/26/13/385982613.db2.gz CCQAQPCUKRMQMC-RAIGVLPGSA-N 0 3 236.359 3.151 20 0 BGADHN CCCc1ncc(CN[C@H](CC)[C@H]2C[C@@H]2C)o1 ZINC000414134744 191440221 /nfs/dbraw/zinc/44/02/21/191440221.db2.gz CCQAQPCUKRMQMC-WCFLWFBJSA-N 0 3 236.359 3.151 20 0 BGADHN CCO[C@H]1C[C@@H](N[C@@H](C)c2ccc(CC)o2)C1 ZINC000414136643 385983071 /nfs/dbraw/zinc/98/30/71/385983071.db2.gz FVNXAWUVYPGSCF-GMXVVIOVSA-N 0 3 237.343 3.060 20 0 BGADHN CCO[C@H]1C[C@@H](N[C@H](C)c2ccc(CC)o2)C1 ZINC000414136645 385983375 /nfs/dbraw/zinc/98/33/75/385983375.db2.gz FVNXAWUVYPGSCF-WZRBSPASSA-N 0 3 237.343 3.060 20 0 BGADHN C[C@H](NC[C@@H]1CCC[C@H](C)[C@H]1C)c1ccn(C)n1 ZINC000414136869 385983577 /nfs/dbraw/zinc/98/35/77/385983577.db2.gz IBXZFIWDDRMFTH-CRWXNKLISA-N 0 3 249.402 3.143 20 0 BGADHN C[C@H](NC[C@@H]1CCC[C@@H](C)[C@H]1C)c1ccn(C)n1 ZINC000414136871 385984077 /nfs/dbraw/zinc/98/40/77/385984077.db2.gz IBXZFIWDDRMFTH-MQYQWHSLSA-N 0 3 249.402 3.143 20 0 BGADHN C[C@H](NC[C@@H]1CCC[C@@H](C)[C@@H]1C)c1ccn(C)n1 ZINC000414136872 385985247 /nfs/dbraw/zinc/98/52/47/385985247.db2.gz IBXZFIWDDRMFTH-RFGFWPKPSA-N 0 3 249.402 3.143 20 0 BGADHN C[C@H](NC[C@@H]1CCC[C@H](C)[C@@H]1C)c1ccn(C)n1 ZINC000414136874 385983054 /nfs/dbraw/zinc/98/30/54/385983054.db2.gz IBXZFIWDDRMFTH-XUXIUFHCSA-N 0 3 249.402 3.143 20 0 BGADHN CCO[C@H]1C[C@@H](N[C@H](C)c2csc(C)c2)C1 ZINC000414138614 385987778 /nfs/dbraw/zinc/98/77/78/385987778.db2.gz HKFIZTYKESASLU-RTXFEEFZSA-N 0 3 239.384 3.275 20 0 BGADHN CCO[C@H]1C[C@@H](N[C@@H](C)c2csc(C)c2)C1 ZINC000414138615 385986841 /nfs/dbraw/zinc/98/68/41/385986841.db2.gz HKFIZTYKESASLU-WCFLWFBJSA-N 0 3 239.384 3.275 20 0 BGADHN C[C@H](CC(C)(C)C)N[C@@H](C)c1cc2n(n1)CCC2 ZINC000414138908 385986812 /nfs/dbraw/zinc/98/68/12/385986812.db2.gz FXBMSKLICIRAID-NEPJUHHUSA-N 0 3 249.402 3.305 20 0 BGADHN C[C@@H](N[C@@H](C)CC(C)(C)C)c1cc2n(n1)CCC2 ZINC000414138909 385987503 /nfs/dbraw/zinc/98/75/03/385987503.db2.gz FXBMSKLICIRAID-NWDGAFQWSA-N 0 3 249.402 3.305 20 0 BGADHN C[C@@H](CC(C)(C)C)N[C@@H](C)c1cc2n(n1)CCC2 ZINC000414138911 385986302 /nfs/dbraw/zinc/98/63/02/385986302.db2.gz FXBMSKLICIRAID-RYUDHWBXSA-N 0 3 249.402 3.305 20 0 BGADHN C[C@H](CC(C)(C)C)N[C@H](C)c1cc2n(n1)CCC2 ZINC000414138912 385986757 /nfs/dbraw/zinc/98/67/57/385986757.db2.gz FXBMSKLICIRAID-VXGBXAGGSA-N 0 3 249.402 3.305 20 0 BGADHN CCc1noc(C)c1CN[C@H](CC)[C@@H]1C[C@H]1C ZINC000414140861 385990201 /nfs/dbraw/zinc/99/02/01/385990201.db2.gz LXOMLKODZMWVCG-IRUJWGPZSA-N 0 3 236.359 3.070 20 0 BGADHN CCc1noc(C)c1CN[C@H](CC)[C@H]1C[C@H]1C ZINC000414140863 385988743 /nfs/dbraw/zinc/98/87/43/385988743.db2.gz LXOMLKODZMWVCG-SUZMYJTESA-N 0 3 236.359 3.070 20 0 BGADHN CCc1noc(C)c1CN[C@H](CC)[C@@H]1C[C@@H]1C ZINC000414140866 385990482 /nfs/dbraw/zinc/99/04/82/385990482.db2.gz LXOMLKODZMWVCG-UFGOTCBOSA-N 0 3 236.359 3.070 20 0 BGADHN CCc1noc(C)c1CN[C@H](CC)[C@H]1C[C@@H]1C ZINC000414140869 385989048 /nfs/dbraw/zinc/98/90/48/385989048.db2.gz LXOMLKODZMWVCG-XHVZSJERSA-N 0 3 236.359 3.070 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1CN[C@@H](C)c1ccn(C)n1 ZINC000414141607 191441662 /nfs/dbraw/zinc/44/16/62/191441662.db2.gz MKFVKRVHSWMULY-BFHYXJOUSA-N 0 3 249.402 3.287 20 0 BGADHN CC[C@@H]1CCCC[C@H]1CN[C@H](C)c1ccn(C)n1 ZINC000414141610 385990043 /nfs/dbraw/zinc/99/00/43/385990043.db2.gz MKFVKRVHSWMULY-MCIONIFRSA-N 0 3 249.402 3.287 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1CN[C@H](C)c1ccn(C)n1 ZINC000414141613 385989772 /nfs/dbraw/zinc/98/97/72/385989772.db2.gz MKFVKRVHSWMULY-MGPQQGTHSA-N 0 3 249.402 3.287 20 0 BGADHN CC[C@@H]1CCCC[C@H]1CN[C@@H](C)c1ccn(C)n1 ZINC000414141614 385989429 /nfs/dbraw/zinc/98/94/29/385989429.db2.gz MKFVKRVHSWMULY-MJBXVCDLSA-N 0 3 249.402 3.287 20 0 BGADHN CC[C@H](N[C@H](C)c1nccn1CC)[C@@H]1CC1(C)C ZINC000414141915 385989831 /nfs/dbraw/zinc/98/98/31/385989831.db2.gz HXIWBQKQKPJHAR-AGIUHOORSA-N 0 3 249.402 3.378 20 0 BGADHN CC[C@H](N[C@@H](C)c1nccn1CC)[C@@H]1CC1(C)C ZINC000414141917 385989285 /nfs/dbraw/zinc/98/92/85/385989285.db2.gz HXIWBQKQKPJHAR-AVGNSLFASA-N 0 3 249.402 3.378 20 0 BGADHN CC[C@H](N[C@H](C)c1nccn1CC)[C@H]1CC1(C)C ZINC000414141918 385989560 /nfs/dbraw/zinc/98/95/60/385989560.db2.gz HXIWBQKQKPJHAR-UPJWGTAASA-N 0 3 249.402 3.378 20 0 BGADHN CC[C@H](N[C@@H](C)c1nccn1CC)[C@H]1CC1(C)C ZINC000414141920 385988860 /nfs/dbraw/zinc/98/88/60/385988860.db2.gz HXIWBQKQKPJHAR-XQQFMLRXSA-N 0 3 249.402 3.378 20 0 BGADHN CCO[C@H]1C[C@@H](N[C@H](C)c2cc(C)c(C)o2)C1 ZINC000414143612 385991117 /nfs/dbraw/zinc/99/11/17/385991117.db2.gz LWWWFJJXDVANGG-RTXFEEFZSA-N 0 3 237.343 3.115 20 0 BGADHN CCO[C@H]1C[C@@H](N[C@@H](C)c2cc(C)c(C)o2)C1 ZINC000414143625 385992127 /nfs/dbraw/zinc/99/21/27/385992127.db2.gz LWWWFJJXDVANGG-WCFLWFBJSA-N 0 3 237.343 3.115 20 0 BGADHN CCO[C@H]1C[C@@H](N[C@H](C)c2cc(C)oc2C)C1 ZINC000414145016 385992929 /nfs/dbraw/zinc/99/29/29/385992929.db2.gz NHZQYPNQBSLXTK-RTXFEEFZSA-N 0 3 237.343 3.115 20 0 BGADHN CCO[C@H]1C[C@@H](N[C@@H](C)c2cc(C)oc2C)C1 ZINC000414145017 385991382 /nfs/dbraw/zinc/99/13/82/385991382.db2.gz NHZQYPNQBSLXTK-WCFLWFBJSA-N 0 3 237.343 3.115 20 0 BGADHN CC(C)O[C@H]1C[C@@H](N[C@H](C)c2ccsc2)C1 ZINC000414145713 385995684 /nfs/dbraw/zinc/99/56/84/385995684.db2.gz OJDOIQKZYOATLP-RTXFEEFZSA-N 0 3 239.384 3.355 20 0 BGADHN CC(C)O[C@H]1C[C@@H](N[C@@H](C)c2ccsc2)C1 ZINC000414145716 385995629 /nfs/dbraw/zinc/99/56/29/385995629.db2.gz OJDOIQKZYOATLP-WCFLWFBJSA-N 0 3 239.384 3.355 20 0 BGADHN CCc1ncc(CN[C@@H](CC)[C@H]2CC2(C)C)o1 ZINC000414148091 385996878 /nfs/dbraw/zinc/99/68/78/385996878.db2.gz NDCMBYRMSWZUJP-NEPJUHHUSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1ncc(CN[C@H](CC)[C@@H]2CC2(C)C)o1 ZINC000414148093 385997162 /nfs/dbraw/zinc/99/71/62/385997162.db2.gz NDCMBYRMSWZUJP-NWDGAFQWSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1ncc(CN[C@@H](CC)[C@@H]2CC2(C)C)o1 ZINC000414148096 385996500 /nfs/dbraw/zinc/99/65/00/385996500.db2.gz NDCMBYRMSWZUJP-RYUDHWBXSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1ncc(CN[C@H](CC)[C@H]2CC2(C)C)o1 ZINC000414148099 385996273 /nfs/dbraw/zinc/99/62/73/385996273.db2.gz NDCMBYRMSWZUJP-VXGBXAGGSA-N 0 3 236.359 3.151 20 0 BGADHN CCO[C@H]1C[C@@H](N[C@@H](C)c2ccccc2F)C1 ZINC000414148159 385997399 /nfs/dbraw/zinc/99/73/99/385997399.db2.gz RKZMFMZEWPHKQZ-SDDRHHMPSA-N 0 3 237.318 3.044 20 0 BGADHN CCO[C@H]1C[C@@H](N[C@H](C)c2ccccc2F)C1 ZINC000414148162 385998315 /nfs/dbraw/zinc/99/83/15/385998315.db2.gz RKZMFMZEWPHKQZ-UTUOFQBUSA-N 0 3 237.318 3.044 20 0 BGADHN C[C@@H](N[C@@H](C)c1ccn(C)n1)[C@H]1CCCC[C@@H]1C ZINC000414148512 191444331 /nfs/dbraw/zinc/44/43/31/191444331.db2.gz NFJWIPJFEXCDFW-CRWXNKLISA-N 0 3 249.402 3.286 20 0 BGADHN C[C@@H](N[C@@H](C)c1ccn(C)n1)[C@H]1CCCC[C@H]1C ZINC000414148516 385998030 /nfs/dbraw/zinc/99/80/30/385998030.db2.gz NFJWIPJFEXCDFW-MQYQWHSLSA-N 0 3 249.402 3.286 20 0 BGADHN C[C@@H](N[C@@H](C)c1ccn(C)n1)[C@@H]1CCCC[C@@H]1C ZINC000414148519 385997323 /nfs/dbraw/zinc/99/73/23/385997323.db2.gz NFJWIPJFEXCDFW-RFQIPJPRSA-N 0 3 249.402 3.286 20 0 BGADHN C[C@@H](N[C@@H](C)c1ccn(C)n1)[C@@H]1CCCC[C@H]1C ZINC000414148522 385997364 /nfs/dbraw/zinc/99/73/64/385997364.db2.gz NFJWIPJFEXCDFW-YIYPIFLZSA-N 0 3 249.402 3.286 20 0 BGADHN CC[C@@H](NCc1cnccc1OC)[C@H]1CC1(C)C ZINC000414148563 385996722 /nfs/dbraw/zinc/99/67/22/385996722.db2.gz SWMJDVNIJIZXRF-CHWSQXEVSA-N 0 3 248.370 3.005 20 0 BGADHN CC[C@H](NCc1cnccc1OC)[C@H]1CC1(C)C ZINC000414148566 385997699 /nfs/dbraw/zinc/99/76/99/385997699.db2.gz SWMJDVNIJIZXRF-OLZOCXBDSA-N 0 3 248.370 3.005 20 0 BGADHN CC[C@@H](NCc1cnccc1OC)[C@@H]1CC1(C)C ZINC000414148570 385997899 /nfs/dbraw/zinc/99/78/99/385997899.db2.gz SWMJDVNIJIZXRF-QWHCGFSZSA-N 0 3 248.370 3.005 20 0 BGADHN CC[C@H](NCc1cnccc1OC)[C@@H]1CC1(C)C ZINC000414148573 385996291 /nfs/dbraw/zinc/99/62/91/385996291.db2.gz SWMJDVNIJIZXRF-STQMWFEESA-N 0 3 248.370 3.005 20 0 BGADHN CCC[C@H](N[C@H]1C[C@@H](OCC)C1)c1ccccn1 ZINC000414148788 385998046 /nfs/dbraw/zinc/99/80/46/385998046.db2.gz SDNQFGAJLBUMQU-GUTXKFCHSA-N 0 3 248.370 3.080 20 0 BGADHN CCC[C@@H](N[C@H]1C[C@@H](OCC)C1)c1ccccn1 ZINC000414148791 385997806 /nfs/dbraw/zinc/99/78/06/385997806.db2.gz SDNQFGAJLBUMQU-VNHYZAJKSA-N 0 3 248.370 3.080 20 0 BGADHN CC[C@H](N[C@@H]1C[C@@H](C)n2ccnc21)[C@H]1CC1(C)C ZINC000414149020 385996816 /nfs/dbraw/zinc/99/68/16/385996816.db2.gz NQRUWGXJPXSSMW-FVCCEPFGSA-N 0 3 247.386 3.303 20 0 BGADHN CC[C@H](N[C@@H]1C[C@@H](C)n2ccnc21)[C@@H]1CC1(C)C ZINC000414149023 385997335 /nfs/dbraw/zinc/99/73/35/385997335.db2.gz NQRUWGXJPXSSMW-MROQNXINSA-N 0 3 247.386 3.303 20 0 BGADHN CC[C@H](N[C@@H]1C[C@H](C)n2ccnc21)[C@H]1CC1(C)C ZINC000414149026 191444378 /nfs/dbraw/zinc/44/43/78/191444378.db2.gz NQRUWGXJPXSSMW-QNWHQSFQSA-N 0 3 247.386 3.303 20 0 BGADHN CC[C@H](N[C@@H]1C[C@H](C)n2ccnc21)[C@@H]1CC1(C)C ZINC000414149028 385996541 /nfs/dbraw/zinc/99/65/41/385996541.db2.gz NQRUWGXJPXSSMW-ZDEQEGDKSA-N 0 3 247.386 3.303 20 0 BGADHN C[C@@H](NCC(C)(C)C(C)(C)C)c1ccn(C)n1 ZINC000414149887 386000567 /nfs/dbraw/zinc/00/05/67/386000567.db2.gz VEZQNXSOOFCEDY-LLVKDONJSA-N 0 3 237.391 3.143 20 0 BGADHN C[C@H](NCC(C)(C)C(C)(C)C)c1ccn(C)n1 ZINC000414149889 386000688 /nfs/dbraw/zinc/00/06/88/386000688.db2.gz VEZQNXSOOFCEDY-NSHDSACASA-N 0 3 237.391 3.143 20 0 BGADHN CCO[C@H]1C[C@@H](N[C@H](C)c2cccc(F)c2)C1 ZINC000414150531 386000842 /nfs/dbraw/zinc/00/08/42/386000842.db2.gz VFLCKJUIJDANNL-HONMWMINSA-N 0 3 237.318 3.044 20 0 BGADHN CCO[C@H]1C[C@@H](N[C@@H](C)c2cccc(F)c2)C1 ZINC000414150533 386000319 /nfs/dbraw/zinc/00/03/19/386000319.db2.gz VFLCKJUIJDANNL-LEWSCRJBSA-N 0 3 237.318 3.044 20 0 BGADHN CC(C)O[C@H]1C[C@@H](N[C@@H]2CCCc3occc32)C1 ZINC000414151965 386001600 /nfs/dbraw/zinc/00/16/00/386001600.db2.gz XAVUDJHSJUFSKG-MBNYWOFBSA-N 0 3 249.354 3.203 20 0 BGADHN CC(C)O[C@H]1C[C@@H](N[C@H]2CCCc3occc32)C1 ZINC000414151967 386002874 /nfs/dbraw/zinc/00/28/74/386002874.db2.gz XAVUDJHSJUFSKG-SCRDCRAPSA-N 0 3 249.354 3.203 20 0 BGADHN C[C@@H](NCC1(C2CCC2)CCC1)c1ccn(C)n1 ZINC000414153834 386004588 /nfs/dbraw/zinc/00/45/88/386004588.db2.gz SKXXRDPVJSPQFJ-GFCCVEGCSA-N 0 3 247.386 3.041 20 0 BGADHN C[C@H](NCC1(C2CCC2)CCC1)c1ccn(C)n1 ZINC000414153838 386004847 /nfs/dbraw/zinc/00/48/47/386004847.db2.gz SKXXRDPVJSPQFJ-LBPRGKRZSA-N 0 3 247.386 3.041 20 0 BGADHN C[C@H](N[C@@H](C)[C@H]1CCC[C@@H](C)C1)c1ccn(C)n1 ZINC000414155757 386003977 /nfs/dbraw/zinc/00/39/77/386003977.db2.gz VKSFPPWKFHMMJP-RFGFWPKPSA-N 0 3 249.402 3.286 20 0 BGADHN C[C@@H](N[C@@H](C)[C@H]1CCC[C@@H](C)C1)c1ccn(C)n1 ZINC000414155759 386004384 /nfs/dbraw/zinc/00/43/84/386004384.db2.gz VKSFPPWKFHMMJP-RQJABVFESA-N 0 3 249.402 3.286 20 0 BGADHN C[C@@H](N[C@@H](C)[C@@H]1CCC[C@@H](C)C1)c1ccn(C)n1 ZINC000414155760 386004157 /nfs/dbraw/zinc/00/41/57/386004157.db2.gz VKSFPPWKFHMMJP-XJFOESAGSA-N 0 3 249.402 3.286 20 0 BGADHN C[C@H](N[C@@H](C)[C@@H]1CCC[C@@H](C)C1)c1ccn(C)n1 ZINC000414155762 386003386 /nfs/dbraw/zinc/00/33/86/386003386.db2.gz VKSFPPWKFHMMJP-ZOBORPQBSA-N 0 3 249.402 3.286 20 0 BGADHN C[C@@H](NCC(C)(C)C1=CCCC1)c1ccn(C)n1 ZINC000414156450 386006344 /nfs/dbraw/zinc/00/63/44/386006344.db2.gz WPLJKUMXSKQUFD-GFCCVEGCSA-N 0 3 247.386 3.207 20 0 BGADHN C[C@H](NCC(C)(C)C1=CCCC1)c1ccn(C)n1 ZINC000414156451 386006127 /nfs/dbraw/zinc/00/61/27/386006127.db2.gz WPLJKUMXSKQUFD-LBPRGKRZSA-N 0 3 247.386 3.207 20 0 BGADHN CC[C@H](N[C@@H](C)c1ccn(C)n1)C1CCCC1 ZINC000414156726 386043347 /nfs/dbraw/zinc/04/33/47/386043347.db2.gz WVJGGCQOXFCIDO-AAEUAGOBSA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@@H](N[C@H](C)c1ccn(C)n1)C1CCCC1 ZINC000414156728 386042621 /nfs/dbraw/zinc/04/26/21/386042621.db2.gz WVJGGCQOXFCIDO-DGCLKSJQSA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@@H](N[C@@H](C)c1ccn(C)n1)C1CCCC1 ZINC000414156729 386042476 /nfs/dbraw/zinc/04/24/76/386042476.db2.gz WVJGGCQOXFCIDO-WCQYABFASA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@H](N[C@H](C)c1ccn(C)n1)C1CCCC1 ZINC000414156731 386042955 /nfs/dbraw/zinc/04/29/55/386042955.db2.gz WVJGGCQOXFCIDO-YPMHNXCESA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@H](NCc1ncccc1OC)[C@H]1CC1(C)C ZINC000414156793 386042829 /nfs/dbraw/zinc/04/28/29/386042829.db2.gz WYMCKUFQMRGHBB-NEPJUHHUSA-N 0 3 248.370 3.005 20 0 BGADHN CC[C@@H](NCc1ncccc1OC)[C@@H]1CC1(C)C ZINC000414156795 386042896 /nfs/dbraw/zinc/04/28/96/386042896.db2.gz WYMCKUFQMRGHBB-NWDGAFQWSA-N 0 3 248.370 3.005 20 0 BGADHN CC[C@H](NCc1ncccc1OC)[C@@H]1CC1(C)C ZINC000414156796 386042680 /nfs/dbraw/zinc/04/26/80/386042680.db2.gz WYMCKUFQMRGHBB-RYUDHWBXSA-N 0 3 248.370 3.005 20 0 BGADHN CC[C@@H](NCc1ncccc1OC)[C@H]1CC1(C)C ZINC000414156798 386043619 /nfs/dbraw/zinc/04/36/19/386043619.db2.gz WYMCKUFQMRGHBB-VXGBXAGGSA-N 0 3 248.370 3.005 20 0 BGADHN CCC[C@H](N[C@@H](C)c1ccn(C)n1)C(C)(C)C ZINC000414158556 386043716 /nfs/dbraw/zinc/04/37/16/386043716.db2.gz ZFVGZRVOEGQTIH-AAEUAGOBSA-N 0 3 237.391 3.286 20 0 BGADHN CCC[C@@H](N[C@H](C)c1ccn(C)n1)C(C)(C)C ZINC000414158557 386043043 /nfs/dbraw/zinc/04/30/43/386043043.db2.gz ZFVGZRVOEGQTIH-DGCLKSJQSA-N 0 3 237.391 3.286 20 0 BGADHN CCC[C@@H](N[C@@H](C)c1ccn(C)n1)C(C)(C)C ZINC000414158558 386043383 /nfs/dbraw/zinc/04/33/83/386043383.db2.gz ZFVGZRVOEGQTIH-WCQYABFASA-N 0 3 237.391 3.286 20 0 BGADHN CCC[C@H](N[C@H](C)c1ccn(C)n1)C(C)(C)C ZINC000414158559 386043413 /nfs/dbraw/zinc/04/34/13/386043413.db2.gz ZFVGZRVOEGQTIH-YPMHNXCESA-N 0 3 237.391 3.286 20 0 BGADHN CC[C@H](NCc1cc(C)nc(C)n1)[C@@H]1CC1(C)C ZINC000414158698 386043235 /nfs/dbraw/zinc/04/32/35/386043235.db2.gz XSTHKJYJWPNPRZ-KBPBESRZSA-N 0 3 247.386 3.008 20 0 BGADHN CC[C@H](NCc1cc(C)nc(C)n1)[C@H]1CC1(C)C ZINC000414158700 386043547 /nfs/dbraw/zinc/04/35/47/386043547.db2.gz XSTHKJYJWPNPRZ-KGLIPLIRSA-N 0 3 247.386 3.008 20 0 BGADHN CC[C@@H](NCc1cc(C)nc(C)n1)[C@@H]1CC1(C)C ZINC000414158703 386042989 /nfs/dbraw/zinc/04/29/89/386042989.db2.gz XSTHKJYJWPNPRZ-UONOGXRCSA-N 0 3 247.386 3.008 20 0 BGADHN CC[C@@H](NCc1cc(C)nc(C)n1)[C@H]1CC1(C)C ZINC000414158705 386042022 /nfs/dbraw/zinc/04/20/22/386042022.db2.gz XSTHKJYJWPNPRZ-ZIAGYGMSSA-N 0 3 247.386 3.008 20 0 BGADHN CCn1ccnc1[C@@H](C)NC1(C2CCC2)CCC1 ZINC000414168412 386050168 /nfs/dbraw/zinc/05/01/68/386050168.db2.gz ADKIGEACIQEBSU-GFCCVEGCSA-N 0 3 247.386 3.276 20 0 BGADHN CCn1ccnc1[C@H](C)NC1(C2CCC2)CCC1 ZINC000414168416 386050683 /nfs/dbraw/zinc/05/06/83/386050683.db2.gz ADKIGEACIQEBSU-LBPRGKRZSA-N 0 3 247.386 3.276 20 0 BGADHN CC[C@@H](NC1(C2CCC2)CCC1)c1ccn(C)n1 ZINC000414168530 386014130 /nfs/dbraw/zinc/01/41/30/386014130.db2.gz AITMIJSVBZQPME-CYBMUJFWSA-N 0 3 247.386 3.184 20 0 BGADHN CC[C@H](NC1(C2CCC2)CCC1)c1ccn(C)n1 ZINC000414168531 386013942 /nfs/dbraw/zinc/01/39/42/386013942.db2.gz AITMIJSVBZQPME-ZDUSSCGKSA-N 0 3 247.386 3.184 20 0 BGADHN Cc1cc([C@@H](C)NC2(C3CCC3)CCC2)nn1C ZINC000414168930 386017563 /nfs/dbraw/zinc/01/75/63/386017563.db2.gz ARTZFRVVXQXAMA-GFCCVEGCSA-N 0 3 247.386 3.102 20 0 BGADHN Cc1cc([C@H](C)NC2(C3CCC3)CCC2)nn1C ZINC000414168932 386016811 /nfs/dbraw/zinc/01/68/11/386016811.db2.gz ARTZFRVVXQXAMA-LBPRGKRZSA-N 0 3 247.386 3.102 20 0 BGADHN C[C@@H](NC(C1CCC1)C1CCC1)c1ccn(C)n1 ZINC000414169321 386016462 /nfs/dbraw/zinc/01/64/62/386016462.db2.gz VIDNQAJFMJOMFL-LLVKDONJSA-N 0 3 247.386 3.040 20 0 BGADHN C[C@H](NC(C1CCC1)C1CCC1)c1ccn(C)n1 ZINC000414169322 386017528 /nfs/dbraw/zinc/01/75/28/386017528.db2.gz VIDNQAJFMJOMFL-NSHDSACASA-N 0 3 247.386 3.040 20 0 BGADHN Cc1cc([C@@H](C)NC2(C3CCC3)CCC2)no1 ZINC000414172080 386018399 /nfs/dbraw/zinc/01/83/99/386018399.db2.gz DXQCXIAFDPKZRB-LLVKDONJSA-N 0 3 234.343 3.356 20 0 BGADHN Cc1cc([C@H](C)NC2(C3CCC3)CCC2)no1 ZINC000414172081 386018429 /nfs/dbraw/zinc/01/84/29/386018429.db2.gz DXQCXIAFDPKZRB-NSHDSACASA-N 0 3 234.343 3.356 20 0 BGADHN CCC[C@@H](N[C@@H](C)c1nccn1C)C1CCCC1 ZINC000414174146 398218973 /nfs/dbraw/zinc/21/89/73/398218973.db2.gz AIRSZJUOLDDGCZ-GXTWGEPZSA-N 0 3 249.402 3.430 20 0 BGADHN CCC[C@H](N[C@@H](C)c1nccn1C)C1CCCC1 ZINC000414174148 398218804 /nfs/dbraw/zinc/21/88/04/398218804.db2.gz AIRSZJUOLDDGCZ-JSGCOSHPSA-N 0 3 249.402 3.430 20 0 BGADHN CCC[C@H](N[C@H](C)c1nccn1C)C1CCCC1 ZINC000414174149 398219083 /nfs/dbraw/zinc/21/90/83/398219083.db2.gz AIRSZJUOLDDGCZ-OCCSQVGLSA-N 0 3 249.402 3.430 20 0 BGADHN CCC[C@@H](N[C@H](C)c1nccn1C)C1CCCC1 ZINC000414174152 398218762 /nfs/dbraw/zinc/21/87/62/398218762.db2.gz AIRSZJUOLDDGCZ-TZMCWYRMSA-N 0 3 249.402 3.430 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccncc1F ZINC000414174387 398219468 /nfs/dbraw/zinc/21/94/68/398219468.db2.gz AOWBIMYELYHJIT-HEQLZXTPSA-N 0 3 234.318 3.060 20 0 BGADHN C[C@@H](N[C@H]1CCC[C@@H]2C[C@@H]21)c1ccncc1F ZINC000414174390 398219540 /nfs/dbraw/zinc/21/95/40/398219540.db2.gz AOWBIMYELYHJIT-KLTVKPSUSA-N 0 3 234.318 3.060 20 0 BGADHN C[C@@H](N[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccncc1F ZINC000414174392 398219597 /nfs/dbraw/zinc/21/95/97/398219597.db2.gz AOWBIMYELYHJIT-KOXOONSLSA-N 0 3 234.318 3.060 20 0 BGADHN C[C@H](N[C@H]1CCC[C@@H]2C[C@@H]21)c1ccncc1F ZINC000414174712 398219573 /nfs/dbraw/zinc/21/95/73/398219573.db2.gz AOWBIMYELYHJIT-QPPBUOOMSA-N 0 3 234.318 3.060 20 0 BGADHN CC(C)C[C@@H]1C[C@H]1N[C@H](C)c1ccncc1F ZINC000414176695 386020309 /nfs/dbraw/zinc/02/03/09/386020309.db2.gz HZMHAJMBHYPBRT-JTNHKYCSSA-N 0 3 236.334 3.306 20 0 BGADHN CC(C)C[C@@H]1C[C@H]1N[C@@H](C)c1ccncc1F ZINC000414176698 386020749 /nfs/dbraw/zinc/02/07/49/386020749.db2.gz HZMHAJMBHYPBRT-MISXGVKJSA-N 0 3 236.334 3.306 20 0 BGADHN Cc1ccncc1[C@H](C)N[C@@H]1C[C@H]1CC(C)C ZINC000414177802 386020464 /nfs/dbraw/zinc/02/04/64/386020464.db2.gz JHFMPLRRQHIVAJ-GZBFAFLISA-N 0 3 232.371 3.475 20 0 BGADHN Cc1ccncc1[C@@H](C)N[C@@H]1C[C@H]1CC(C)C ZINC000414177807 386019345 /nfs/dbraw/zinc/01/93/45/386019345.db2.gz JHFMPLRRQHIVAJ-UMVBOHGHSA-N 0 3 232.371 3.475 20 0 BGADHN CCCC[C@H](C)[C@H](C)N[C@@H](C)c1ccn(C)n1 ZINC000414179030 386022828 /nfs/dbraw/zinc/02/28/28/386022828.db2.gz KZGBZRHPIVYJJK-AVGNSLFASA-N 0 3 237.391 3.286 20 0 BGADHN CCCC[C@H](C)[C@H](C)N[C@H](C)c1ccn(C)n1 ZINC000414179032 386022195 /nfs/dbraw/zinc/02/21/95/386022195.db2.gz KZGBZRHPIVYJJK-RWMBFGLXSA-N 0 3 237.391 3.286 20 0 BGADHN CCCC[C@H](C)[C@@H](C)N[C@@H](C)c1ccn(C)n1 ZINC000414179033 386023104 /nfs/dbraw/zinc/02/31/04/386023104.db2.gz KZGBZRHPIVYJJK-XQQFMLRXSA-N 0 3 237.391 3.286 20 0 BGADHN CCCC[C@H](C)[C@@H](C)N[C@H](C)c1ccn(C)n1 ZINC000414179035 386022631 /nfs/dbraw/zinc/02/26/31/386022631.db2.gz KZGBZRHPIVYJJK-YNEHKIRRSA-N 0 3 237.391 3.286 20 0 BGADHN CCC[C@H](C)[C@H](CC)N[C@@H](C)c1ccn(C)n1 ZINC000414184600 386024564 /nfs/dbraw/zinc/02/45/64/386024564.db2.gz ODIWLZUTOXLQEB-AVGNSLFASA-N 0 3 237.391 3.286 20 0 BGADHN CCC[C@H](C)[C@@H](CC)N[C@@H](C)c1ccn(C)n1 ZINC000414184607 386024784 /nfs/dbraw/zinc/02/47/84/386024784.db2.gz ODIWLZUTOXLQEB-RWMBFGLXSA-N 0 3 237.391 3.286 20 0 BGADHN CCC[C@H](C)[C@H](CC)N[C@H](C)c1ccn(C)n1 ZINC000414184614 386025608 /nfs/dbraw/zinc/02/56/08/386025608.db2.gz ODIWLZUTOXLQEB-XQQFMLRXSA-N 0 3 237.391 3.286 20 0 BGADHN CCC[C@H](C)[C@@H](CC)N[C@H](C)c1ccn(C)n1 ZINC000414184620 386024759 /nfs/dbraw/zinc/02/47/59/386024759.db2.gz ODIWLZUTOXLQEB-YNEHKIRRSA-N 0 3 237.391 3.286 20 0 BGADHN Cc1cc([C@H](C)NC[C@@H]2CCC[C@@H]2C2CC2)no1 ZINC000414185754 386027423 /nfs/dbraw/zinc/02/74/23/386027423.db2.gz HDLBTDGCXBMBEW-FPMFFAJLSA-N 0 3 248.370 3.460 20 0 BGADHN Cc1cc([C@H](C)NC[C@H]2CCC[C@@H]2C2CC2)no1 ZINC000414185761 386027048 /nfs/dbraw/zinc/02/70/48/386027048.db2.gz HDLBTDGCXBMBEW-IACUBPJLSA-N 0 3 248.370 3.460 20 0 BGADHN Cc1cc([C@H](C)NC[C@@H]2CCC[C@H]2C2CC2)no1 ZINC000414185765 386028883 /nfs/dbraw/zinc/02/88/83/386028883.db2.gz HDLBTDGCXBMBEW-UBHSHLNASA-N 0 3 248.370 3.460 20 0 BGADHN Cc1cc([C@H](C)NC[C@H]2CCC[C@H]2C2CC2)no1 ZINC000414185767 386027488 /nfs/dbraw/zinc/02/74/88/386027488.db2.gz HDLBTDGCXBMBEW-YUTCNCBUSA-N 0 3 248.370 3.460 20 0 BGADHN CC(C)CC[C@H](N[C@H](C)c1ccn(C)n1)C1CC1 ZINC000414186954 386027402 /nfs/dbraw/zinc/02/74/02/386027402.db2.gz PXHKXTQXPMVNSI-DOMZBBRYSA-N 0 3 249.402 3.286 20 0 BGADHN CC(C)CC[C@@H](N[C@H](C)c1ccn(C)n1)C1CC1 ZINC000414186955 386027321 /nfs/dbraw/zinc/02/73/21/386027321.db2.gz PXHKXTQXPMVNSI-IUODEOHRSA-N 0 3 249.402 3.286 20 0 BGADHN CC(C)CC[C@@H](N[C@@H](C)c1ccn(C)n1)C1CC1 ZINC000414186956 386027602 /nfs/dbraw/zinc/02/76/02/386027602.db2.gz PXHKXTQXPMVNSI-SWLSCSKDSA-N 0 3 249.402 3.286 20 0 BGADHN CC(C)CC[C@H](N[C@@H](C)c1ccn(C)n1)C1CC1 ZINC000414186957 386026954 /nfs/dbraw/zinc/02/69/54/386026954.db2.gz PXHKXTQXPMVNSI-WFASDCNBSA-N 0 3 249.402 3.286 20 0 BGADHN CC[C@@H]1CC[C@@H](C)C[C@H]1NCc1cnc(C)o1 ZINC000414190122 386030610 /nfs/dbraw/zinc/03/06/10/386030610.db2.gz SNGFWTIREORLAC-MPKXVKKWSA-N 0 3 236.359 3.287 20 0 BGADHN CC[C@@H]1CC[C@@H](C)C[C@@H]1NCc1cnc(C)o1 ZINC000414190124 191456241 /nfs/dbraw/zinc/45/62/41/191456241.db2.gz SNGFWTIREORLAC-QKCSRTOESA-N 0 3 236.359 3.287 20 0 BGADHN CC[C@@H]1CC[C@H](C)C[C@@H]1NCc1cnc(C)o1 ZINC000414190125 386029344 /nfs/dbraw/zinc/02/93/44/386029344.db2.gz SNGFWTIREORLAC-SUHUHFCYSA-N 0 3 236.359 3.287 20 0 BGADHN CC[C@@H]1CC[C@H](C)C[C@H]1NCc1cnc(C)o1 ZINC000414190127 386030872 /nfs/dbraw/zinc/03/08/72/386030872.db2.gz SNGFWTIREORLAC-ZKYQVNSYSA-N 0 3 236.359 3.287 20 0 BGADHN CC[C@H](NCc1cnc(C)o1)C1CCCCC1 ZINC000414192030 386030483 /nfs/dbraw/zinc/03/04/83/386030483.db2.gz SHDJXNSPFOKNGA-AWEZNQCLSA-N 0 3 236.359 3.432 20 0 BGADHN CC[C@@H](NCc1cnc(C)o1)C1CCCCC1 ZINC000414192033 386029487 /nfs/dbraw/zinc/02/94/87/386029487.db2.gz SHDJXNSPFOKNGA-CQSZACIVSA-N 0 3 236.359 3.432 20 0 BGADHN Cc1ncc([C@H](C)N[C@@H]2C[C@H]2CC(C)C)c(C)n1 ZINC000414194739 386033214 /nfs/dbraw/zinc/03/32/14/386033214.db2.gz WTICEOSEAOOEQZ-NJZAAPMLSA-N 0 3 247.386 3.179 20 0 BGADHN Cc1ncc([C@@H](C)N[C@@H]2C[C@H]2CC(C)C)c(C)n1 ZINC000414194740 386031999 /nfs/dbraw/zinc/03/19/99/386031999.db2.gz WTICEOSEAOOEQZ-UXIGCNINSA-N 0 3 247.386 3.179 20 0 BGADHN Cc1ncc(CN[C@H](C2CC2)C2CCCC2)o1 ZINC000414195543 386033065 /nfs/dbraw/zinc/03/30/65/386033065.db2.gz XIJFEIHKCGXHIZ-AWEZNQCLSA-N 0 3 234.343 3.041 20 0 BGADHN Cc1ncc(CN[C@@H](C2CC2)C2CCCC2)o1 ZINC000414195548 386032606 /nfs/dbraw/zinc/03/26/06/386032606.db2.gz XIJFEIHKCGXHIZ-CQSZACIVSA-N 0 3 234.343 3.041 20 0 BGADHN Cc1cncc([C@H](C)N[C@@H]2C[C@H]2CC(C)C)c1 ZINC000414195604 386032942 /nfs/dbraw/zinc/03/29/42/386032942.db2.gz XOZKPWVORAHPHX-GZBFAFLISA-N 0 3 232.371 3.475 20 0 BGADHN Cc1cncc([C@@H](C)N[C@@H]2C[C@H]2CC(C)C)c1 ZINC000414195605 386032700 /nfs/dbraw/zinc/03/27/00/386032700.db2.gz XOZKPWVORAHPHX-UMVBOHGHSA-N 0 3 232.371 3.475 20 0 BGADHN CCC[C@@H](NCc1cnc(C)o1)C(C)(C)C ZINC000414196240 386034803 /nfs/dbraw/zinc/03/48/03/386034803.db2.gz XZWFYGPEXXCMFQ-GFCCVEGCSA-N 0 3 224.348 3.287 20 0 BGADHN CCC[C@H](NCc1cnc(C)o1)C(C)(C)C ZINC000414196241 386035318 /nfs/dbraw/zinc/03/53/18/386035318.db2.gz XZWFYGPEXXCMFQ-LBPRGKRZSA-N 0 3 224.348 3.287 20 0 BGADHN CC[C@@H]1C[C@H](C)CC[C@H]1NCc1cnc(C)o1 ZINC000414198817 386035539 /nfs/dbraw/zinc/03/55/39/386035539.db2.gz ZYQWLSLUXUAYIK-MPKXVKKWSA-N 0 3 236.359 3.287 20 0 BGADHN CC[C@@H]1C[C@H](C)CC[C@@H]1NCc1cnc(C)o1 ZINC000414198819 386035210 /nfs/dbraw/zinc/03/52/10/386035210.db2.gz ZYQWLSLUXUAYIK-QKCSRTOESA-N 0 3 236.359 3.287 20 0 BGADHN CC[C@@H]1C[C@@H](C)CC[C@@H]1NCc1cnc(C)o1 ZINC000414198822 386035996 /nfs/dbraw/zinc/03/59/96/386035996.db2.gz ZYQWLSLUXUAYIK-SUHUHFCYSA-N 0 3 236.359 3.287 20 0 BGADHN CC[C@@H]1C[C@@H](C)CC[C@H]1NCc1cnc(C)o1 ZINC000414198825 386035106 /nfs/dbraw/zinc/03/51/06/386035106.db2.gz ZYQWLSLUXUAYIK-ZKYQVNSYSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1nc([C@H](C)N[C@H]2CCC[C@@H]3C[C@@H]32)cs1 ZINC000414199502 386035346 /nfs/dbraw/zinc/03/53/46/386035346.db2.gz XJOLRBINUVUOOJ-IELRGYKMSA-N 0 3 236.384 3.291 20 0 BGADHN Cc1nc([C@@H](C)N[C@@H]2CCC[C@@H]3C[C@@H]32)cs1 ZINC000414199503 386035862 /nfs/dbraw/zinc/03/58/62/386035862.db2.gz XJOLRBINUVUOOJ-KXGXSXBTSA-N 0 3 236.384 3.291 20 0 BGADHN Cc1nc([C@@H](C)N[C@H]2CCC[C@@H]3C[C@@H]32)cs1 ZINC000414199504 386035198 /nfs/dbraw/zinc/03/51/98/386035198.db2.gz XJOLRBINUVUOOJ-YJQGPUDQSA-N 0 3 236.384 3.291 20 0 BGADHN Cc1nc([C@H](C)N[C@@H]2CCC[C@@H]3C[C@@H]32)cs1 ZINC000414199505 386034872 /nfs/dbraw/zinc/03/48/72/386034872.db2.gz XJOLRBINUVUOOJ-ZDDJMSTPSA-N 0 3 236.384 3.291 20 0 BGADHN CCn1ccc(CN[C@H]2CCCC[C@@H]2C(C)C)n1 ZINC000414201607 386038201 /nfs/dbraw/zinc/03/82/01/386038201.db2.gz CKLOUVHIBIJWKU-CABCVRRESA-N 0 3 249.402 3.207 20 0 BGADHN CCn1ccc(CN[C@H]2CCCC[C@H]2C(C)C)n1 ZINC000414201609 386036590 /nfs/dbraw/zinc/03/65/90/386036590.db2.gz CKLOUVHIBIJWKU-GJZGRUSLSA-N 0 3 249.402 3.207 20 0 BGADHN CCn1ccc(CN[C@@H]2CCCC[C@@H]2C(C)C)n1 ZINC000414201611 386037368 /nfs/dbraw/zinc/03/73/68/386037368.db2.gz CKLOUVHIBIJWKU-HUUCEWRRSA-N 0 3 249.402 3.207 20 0 BGADHN CCn1ccc(CN[C@@H]2CCCC[C@H]2C(C)C)n1 ZINC000414201613 386036693 /nfs/dbraw/zinc/03/66/93/386036693.db2.gz CKLOUVHIBIJWKU-LSDHHAIUSA-N 0 3 249.402 3.207 20 0 BGADHN CCC[C@H](C)[C@H](CC)NCc1cnc(C)o1 ZINC000414201797 386037497 /nfs/dbraw/zinc/03/74/97/386037497.db2.gz YFJRQZPNXHPNQC-GWCFXTLKSA-N 0 3 224.348 3.287 20 0 BGADHN CCC[C@H](C)[C@@H](CC)NCc1cnc(C)o1 ZINC000414201798 386038596 /nfs/dbraw/zinc/03/85/96/386038596.db2.gz YFJRQZPNXHPNQC-GXFFZTMASA-N 0 3 224.348 3.287 20 0 BGADHN CCC[C@@H](C)[C@H](CC)NCc1cnc(C)o1 ZINC000414201799 386038724 /nfs/dbraw/zinc/03/87/24/386038724.db2.gz YFJRQZPNXHPNQC-MFKMUULPSA-N 0 3 224.348 3.287 20 0 BGADHN CCC[C@@H](C)[C@@H](CC)NCc1cnc(C)o1 ZINC000414201800 386037114 /nfs/dbraw/zinc/03/71/14/386037114.db2.gz YFJRQZPNXHPNQC-ZWNOBZJWSA-N 0 3 224.348 3.287 20 0 BGADHN Cc1nccnc1[C@@H](C)NC1(C2CCC2)CCC1 ZINC000414202882 386039579 /nfs/dbraw/zinc/03/95/79/386039579.db2.gz ZLCJWGULVVEERK-GFCCVEGCSA-N 0 3 245.370 3.158 20 0 BGADHN Cc1nccnc1[C@H](C)NC1(C2CCC2)CCC1 ZINC000414202884 386040406 /nfs/dbraw/zinc/04/04/06/386040406.db2.gz ZLCJWGULVVEERK-LBPRGKRZSA-N 0 3 245.370 3.158 20 0 BGADHN CCC[C@H](N[C@H](C)c1ccn(C)n1)C1CCCC1 ZINC000414203526 386039847 /nfs/dbraw/zinc/03/98/47/386039847.db2.gz GVKPPOCHDVEBNZ-DOMZBBRYSA-N 0 3 249.402 3.430 20 0 BGADHN CCC[C@@H](N[C@H](C)c1ccn(C)n1)C1CCCC1 ZINC000414203528 386039630 /nfs/dbraw/zinc/03/96/30/386039630.db2.gz GVKPPOCHDVEBNZ-IUODEOHRSA-N 0 3 249.402 3.430 20 0 BGADHN CCC[C@@H](N[C@@H](C)c1ccn(C)n1)C1CCCC1 ZINC000414203529 386040021 /nfs/dbraw/zinc/04/00/21/386040021.db2.gz GVKPPOCHDVEBNZ-SWLSCSKDSA-N 0 3 249.402 3.430 20 0 BGADHN CCC[C@H](N[C@@H](C)c1ccn(C)n1)C1CCCC1 ZINC000414203530 386040157 /nfs/dbraw/zinc/04/01/57/386040157.db2.gz GVKPPOCHDVEBNZ-WFASDCNBSA-N 0 3 249.402 3.430 20 0 BGADHN CCCC1CCC(NCc2ccn(CC)n2)CC1 ZINC000414206107 386059016 /nfs/dbraw/zinc/05/90/16/386059016.db2.gz IGRPNZCMZMXLSN-UHFFFAOYSA-N 0 3 249.402 3.352 20 0 BGADHN CCn1ccc(CN[C@@H]2CCC(C)(C)C[C@@H]2C)n1 ZINC000414206536 191468205 /nfs/dbraw/zinc/46/82/05/191468205.db2.gz IOXKRMPTGSRIDP-GXTWGEPZSA-N 0 3 249.402 3.207 20 0 BGADHN CCn1ccc(CN[C@H]2CCC(C)(C)C[C@@H]2C)n1 ZINC000414206538 386058932 /nfs/dbraw/zinc/05/89/32/386058932.db2.gz IOXKRMPTGSRIDP-JSGCOSHPSA-N 0 3 249.402 3.207 20 0 BGADHN CCn1ccc(CN[C@H]2CCC(C)(C)C[C@H]2C)n1 ZINC000414206540 386060075 /nfs/dbraw/zinc/06/00/75/386060075.db2.gz IOXKRMPTGSRIDP-OCCSQVGLSA-N 0 3 249.402 3.207 20 0 BGADHN CCn1ccc(CN[C@@H]2CCC(C)(C)C[C@H]2C)n1 ZINC000414206541 386059234 /nfs/dbraw/zinc/05/92/34/386059234.db2.gz IOXKRMPTGSRIDP-TZMCWYRMSA-N 0 3 249.402 3.207 20 0 BGADHN CCn1ccc(CN[C@H](C)CCC(C)(C)C)n1 ZINC000414207555 191468230 /nfs/dbraw/zinc/46/82/30/191468230.db2.gz KILOKQPOGFHOJQ-GFCCVEGCSA-N 0 3 237.391 3.207 20 0 BGADHN CCn1ccc(CN[C@@H](C)CCC(C)(C)C)n1 ZINC000414207556 386061214 /nfs/dbraw/zinc/06/12/14/386061214.db2.gz KILOKQPOGFHOJQ-LBPRGKRZSA-N 0 3 237.391 3.207 20 0 BGADHN CCn1ccc(CN[C@@H](CCC(C)C)C2CC2)n1 ZINC000414208192 386061526 /nfs/dbraw/zinc/06/15/26/386061526.db2.gz KZBZGGJPDLAOBV-HNNXBMFYSA-N 0 3 249.402 3.207 20 0 BGADHN CCn1ccc(CN[C@H](CCC(C)C)C2CC2)n1 ZINC000414208193 386061958 /nfs/dbraw/zinc/06/19/58/386061958.db2.gz KZBZGGJPDLAOBV-OAHLLOKOSA-N 0 3 249.402 3.207 20 0 BGADHN CCCC[C@H]1CCC[C@H]1NCc1ccn(CC)n1 ZINC000414208225 386061807 /nfs/dbraw/zinc/06/18/07/386061807.db2.gz LBOSNYAVZGMUGB-DZGCQCFKSA-N 0 3 249.402 3.352 20 0 BGADHN CCCC[C@@H]1CCC[C@@H]1NCc1ccn(CC)n1 ZINC000414208227 191468935 /nfs/dbraw/zinc/46/89/35/191468935.db2.gz LBOSNYAVZGMUGB-HIFRSBDPSA-N 0 3 249.402 3.352 20 0 BGADHN CCCC[C@@H]1CCC[C@H]1NCc1ccn(CC)n1 ZINC000414208229 386061376 /nfs/dbraw/zinc/06/13/76/386061376.db2.gz LBOSNYAVZGMUGB-UKRRQHHQSA-N 0 3 249.402 3.352 20 0 BGADHN CCCC[C@H]1CCC[C@@H]1NCc1ccn(CC)n1 ZINC000414208231 386062359 /nfs/dbraw/zinc/06/23/59/386062359.db2.gz LBOSNYAVZGMUGB-ZFWWWQNUSA-N 0 3 249.402 3.352 20 0 BGADHN CCn1ccc(CNC2CCC(C)(CC)CC2)n1 ZINC000414208257 386063430 /nfs/dbraw/zinc/06/34/30/386063430.db2.gz LDUAMPGZGLWIFY-UHFFFAOYSA-N 0 3 249.402 3.352 20 0 BGADHN CCn1ccc(CN[C@H](C)[C@H]2CCCC[C@@H]2C)n1 ZINC000414208517 386061418 /nfs/dbraw/zinc/06/14/18/386061418.db2.gz LTQHSOYZWWYHGM-GUTXKFCHSA-N 0 3 249.402 3.207 20 0 BGADHN CCn1ccc(CN[C@H](C)[C@@H]2CCCC[C@@H]2C)n1 ZINC000414208519 386062000 /nfs/dbraw/zinc/06/20/00/386062000.db2.gz LTQHSOYZWWYHGM-GZBFAFLISA-N 0 3 249.402 3.207 20 0 BGADHN CCn1ccc(CN[C@H](C)[C@H]2CCCC[C@H]2C)n1 ZINC000414208522 386061795 /nfs/dbraw/zinc/06/17/95/386061795.db2.gz LTQHSOYZWWYHGM-NFAWXSAZSA-N 0 3 249.402 3.207 20 0 BGADHN CCn1ccc(CN[C@H](C)[C@@H]2CCCC[C@H]2C)n1 ZINC000414208525 386061765 /nfs/dbraw/zinc/06/17/65/386061765.db2.gz LTQHSOYZWWYHGM-UMVBOHGHSA-N 0 3 249.402 3.207 20 0 BGADHN CCn1ccc(CNC2CCC(C(C)C)CC2)n1 ZINC000414208598 386061542 /nfs/dbraw/zinc/06/15/42/386061542.db2.gz LZGCFEHFFJKJBH-UHFFFAOYSA-N 0 3 249.402 3.207 20 0 BGADHN CCn1ccc(CN[C@H]2CCC[C@H](C(C)C)C2)n1 ZINC000414210479 386065068 /nfs/dbraw/zinc/06/50/68/386065068.db2.gz OOJXWKCJSXHKCH-KBPBESRZSA-N 0 3 249.402 3.207 20 0 BGADHN CCn1ccc(CN[C@H]2CCC[C@@H](C(C)C)C2)n1 ZINC000414210481 386065477 /nfs/dbraw/zinc/06/54/77/386065477.db2.gz OOJXWKCJSXHKCH-KGLIPLIRSA-N 0 3 249.402 3.207 20 0 BGADHN CCn1ccc(CN[C@@H]2CCC[C@H](C(C)C)C2)n1 ZINC000414210483 386064671 /nfs/dbraw/zinc/06/46/71/386064671.db2.gz OOJXWKCJSXHKCH-UONOGXRCSA-N 0 3 249.402 3.207 20 0 BGADHN CCn1ccc(CN[C@@H]2CCC[C@@H](C(C)C)C2)n1 ZINC000414210484 386064469 /nfs/dbraw/zinc/06/44/69/386064469.db2.gz OOJXWKCJSXHKCH-ZIAGYGMSSA-N 0 3 249.402 3.207 20 0 BGADHN CCC[C@H](C)[C@@H](CC)NCc1ccn(CC)n1 ZINC000414210494 386064760 /nfs/dbraw/zinc/06/47/60/386064760.db2.gz OPYMRONOSWOCJU-GXTWGEPZSA-N 0 3 237.391 3.207 20 0 BGADHN CCC[C@H](C)[C@H](CC)NCc1ccn(CC)n1 ZINC000414210496 386064520 /nfs/dbraw/zinc/06/45/20/386064520.db2.gz OPYMRONOSWOCJU-JSGCOSHPSA-N 0 3 237.391 3.207 20 0 BGADHN CCC[C@@H](C)[C@H](CC)NCc1ccn(CC)n1 ZINC000414210498 386065623 /nfs/dbraw/zinc/06/56/23/386065623.db2.gz OPYMRONOSWOCJU-OCCSQVGLSA-N 0 3 237.391 3.207 20 0 BGADHN CCC[C@@H](C)[C@@H](CC)NCc1ccn(CC)n1 ZINC000414210500 386065710 /nfs/dbraw/zinc/06/57/10/386065710.db2.gz OPYMRONOSWOCJU-TZMCWYRMSA-N 0 3 237.391 3.207 20 0 BGADHN CCC[C@H](NCc1ccn(CC)n1)C1CCCC1 ZINC000414211209 386065425 /nfs/dbraw/zinc/06/54/25/386065425.db2.gz OIMUDOROIXIRKR-HNNXBMFYSA-N 0 3 249.402 3.352 20 0 BGADHN CCC[C@@H](NCc1ccn(CC)n1)C1CCCC1 ZINC000414211210 386065955 /nfs/dbraw/zinc/06/59/55/386065955.db2.gz OIMUDOROIXIRKR-OAHLLOKOSA-N 0 3 249.402 3.352 20 0 BGADHN CC[C@@H]1OCC[C@H]1N[C@H](C)c1cc(C)c(C)o1 ZINC000414211503 386064944 /nfs/dbraw/zinc/06/49/44/386064944.db2.gz OPAYVGAFUOBFPC-RTXFEEFZSA-N 0 3 237.343 3.115 20 0 BGADHN CC[C@@H]1OCC[C@H]1N[C@@H](C)c1cc(C)c(C)o1 ZINC000414211505 191470526 /nfs/dbraw/zinc/47/05/26/191470526.db2.gz OPAYVGAFUOBFPC-UHTWSYAYSA-N 0 3 237.343 3.115 20 0 BGADHN CC[C@@H](N[C@@H]1CCO[C@H]1CC)c1ccsc1 ZINC000414211582 386064541 /nfs/dbraw/zinc/06/45/41/386064541.db2.gz OTNCSZIYFWCDMF-UPJWGTAASA-N 0 3 239.384 3.356 20 0 BGADHN CC[C@H](N[C@@H]1CCO[C@H]1CC)c1ccsc1 ZINC000414211583 386065178 /nfs/dbraw/zinc/06/51/78/386065178.db2.gz OTNCSZIYFWCDMF-XQQFMLRXSA-N 0 3 239.384 3.356 20 0 BGADHN CC[C@@H]1CC[C@H](C)C[C@@H]1NCc1ccn(CC)n1 ZINC000414211816 386065278 /nfs/dbraw/zinc/06/52/78/386065278.db2.gz QXHMAROFXZIKRH-GUTXKFCHSA-N 0 3 249.402 3.207 20 0 BGADHN CC[C@@H]1CC[C@H](C)C[C@H]1NCc1ccn(CC)n1 ZINC000414211817 386065604 /nfs/dbraw/zinc/06/56/04/386065604.db2.gz QXHMAROFXZIKRH-GZBFAFLISA-N 0 3 249.402 3.207 20 0 BGADHN CC[C@@H]1CC[C@@H](C)C[C@@H]1NCc1ccn(CC)n1 ZINC000414211818 386064570 /nfs/dbraw/zinc/06/45/70/386064570.db2.gz QXHMAROFXZIKRH-NFAWXSAZSA-N 0 3 249.402 3.207 20 0 BGADHN CC[C@@H]1CC[C@@H](C)C[C@H]1NCc1ccn(CC)n1 ZINC000414211819 386067237 /nfs/dbraw/zinc/06/72/37/386067237.db2.gz QXHMAROFXZIKRH-UMVBOHGHSA-N 0 3 249.402 3.207 20 0 BGADHN CC[C@@H]1OCC[C@H]1N[C@@H](C)c1cc(C)oc1C ZINC000414211943 386068386 /nfs/dbraw/zinc/06/83/86/386068386.db2.gz PFVNJYSYGCADOC-GDLCADMTSA-N 0 3 237.343 3.115 20 0 BGADHN CC[C@@H]1OCC[C@H]1N[C@H](C)c1cc(C)oc1C ZINC000414211944 386068773 /nfs/dbraw/zinc/06/87/73/386068773.db2.gz PFVNJYSYGCADOC-HONMWMINSA-N 0 3 237.343 3.115 20 0 BGADHN CC[C@H](NCc1ccn(CC)n1)C1CCCCC1 ZINC000414212372 386067669 /nfs/dbraw/zinc/06/76/69/386067669.db2.gz RMMCDKCOZGHXBD-HNNXBMFYSA-N 0 3 249.402 3.352 20 0 BGADHN CC[C@@H](NCc1ccn(CC)n1)C1CCCCC1 ZINC000414212374 386068033 /nfs/dbraw/zinc/06/80/33/386068033.db2.gz RMMCDKCOZGHXBD-OAHLLOKOSA-N 0 3 249.402 3.352 20 0 BGADHN CCCC[C@@H](C)[C@@H](C)NCc1ccn(CC)n1 ZINC000414212379 386068832 /nfs/dbraw/zinc/06/88/32/386068832.db2.gz ROXZIFJBDFEDCL-CHWSQXEVSA-N 0 3 237.391 3.207 20 0 BGADHN CCCC[C@@H](C)[C@H](C)NCc1ccn(CC)n1 ZINC000414212381 386068398 /nfs/dbraw/zinc/06/83/98/386068398.db2.gz ROXZIFJBDFEDCL-OLZOCXBDSA-N 0 3 237.391 3.207 20 0 BGADHN CCCC[C@H](C)[C@@H](C)NCc1ccn(CC)n1 ZINC000414212382 386067402 /nfs/dbraw/zinc/06/74/02/386067402.db2.gz ROXZIFJBDFEDCL-QWHCGFSZSA-N 0 3 237.391 3.207 20 0 BGADHN CCCC[C@H](C)[C@H](C)NCc1ccn(CC)n1 ZINC000414212384 386067914 /nfs/dbraw/zinc/06/79/14/386067914.db2.gz ROXZIFJBDFEDCL-STQMWFEESA-N 0 3 237.391 3.207 20 0 BGADHN CCn1ccc(CN[C@H]2CCCC23CCCC3)n1 ZINC000414212400 386067132 /nfs/dbraw/zinc/06/71/32/386067132.db2.gz RRDDCMWFDRTIND-AWEZNQCLSA-N 0 3 247.386 3.106 20 0 BGADHN CCn1ccc(CN[C@@H]2CCCC23CCCC3)n1 ZINC000414212402 386068048 /nfs/dbraw/zinc/06/80/48/386068048.db2.gz RRDDCMWFDRTIND-CQSZACIVSA-N 0 3 247.386 3.106 20 0 BGADHN CCn1ccc(CN[C@H](C)CCC=C(C)C)n1 ZINC000414212819 386068299 /nfs/dbraw/zinc/06/82/99/386068299.db2.gz SSULSELLYPOLEH-CYBMUJFWSA-N 0 3 235.375 3.128 20 0 BGADHN CCn1ccc(CN[C@@H](C)CCC=C(C)C)n1 ZINC000414212821 386068639 /nfs/dbraw/zinc/06/86/39/386068639.db2.gz SSULSELLYPOLEH-ZDUSSCGKSA-N 0 3 235.375 3.128 20 0 BGADHN CC[C@@H]1OCC[C@H]1N[C@H](C)c1csc(C)c1 ZINC000414214223 386068076 /nfs/dbraw/zinc/06/80/76/386068076.db2.gz SDPJQTSRPHJKLW-RTXFEEFZSA-N 0 3 239.384 3.275 20 0 BGADHN CC[C@@H]1OCC[C@H]1N[C@@H](C)c1csc(C)c1 ZINC000414214224 386071453 /nfs/dbraw/zinc/07/14/53/386071453.db2.gz SDPJQTSRPHJKLW-UHTWSYAYSA-N 0 3 239.384 3.275 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc(F)cn1 ZINC000414214250 386070613 /nfs/dbraw/zinc/07/06/13/386070613.db2.gz SGRJREBPBULQHP-HEQLZXTPSA-N 0 3 234.318 3.060 20 0 BGADHN C[C@@H](N[C@H]1CCC[C@@H]2C[C@@H]21)c1ccc(F)cn1 ZINC000414214251 386070925 /nfs/dbraw/zinc/07/09/25/386070925.db2.gz SGRJREBPBULQHP-KLTVKPSUSA-N 0 3 234.318 3.060 20 0 BGADHN C[C@@H](N[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc(F)cn1 ZINC000414214252 191471320 /nfs/dbraw/zinc/47/13/20/191471320.db2.gz SGRJREBPBULQHP-KOXOONSLSA-N 0 3 234.318 3.060 20 0 BGADHN C[C@H](N[C@H]1CCC[C@@H]2C[C@@H]21)c1ccc(F)cn1 ZINC000414214253 386069893 /nfs/dbraw/zinc/06/98/93/386069893.db2.gz SGRJREBPBULQHP-QPPBUOOMSA-N 0 3 234.318 3.060 20 0 BGADHN CCn1ccc(CN[C@H](C)C2CCCCCC2)n1 ZINC000414214347 386070799 /nfs/dbraw/zinc/07/07/99/386070799.db2.gz VWCLODDIXPMHER-CYBMUJFWSA-N 0 3 249.402 3.352 20 0 BGADHN CCn1ccc(CN[C@@H](C)C2CCCCCC2)n1 ZINC000414214348 386071230 /nfs/dbraw/zinc/07/12/30/386071230.db2.gz VWCLODDIXPMHER-ZDUSSCGKSA-N 0 3 249.402 3.352 20 0 BGADHN CCn1ccc(CN[C@H](C)CCCC(C)C)n1 ZINC000414214359 386069831 /nfs/dbraw/zinc/06/98/31/386069831.db2.gz VYLRRRUSOZBUAO-CYBMUJFWSA-N 0 3 237.391 3.207 20 0 BGADHN CCn1ccc(CN[C@@H](C)CCCC(C)C)n1 ZINC000414214360 386071274 /nfs/dbraw/zinc/07/12/74/386071274.db2.gz VYLRRRUSOZBUAO-ZDUSSCGKSA-N 0 3 237.391 3.207 20 0 BGADHN CCn1ccc(CN[C@H](C)CCC2CCCC2)n1 ZINC000414215153 386070521 /nfs/dbraw/zinc/07/05/21/386070521.db2.gz XQMHHTZEDRMYCK-CYBMUJFWSA-N 0 3 249.402 3.352 20 0 BGADHN CCn1ccc(CN[C@@H](C)CCC2CCCC2)n1 ZINC000414215155 386071175 /nfs/dbraw/zinc/07/11/75/386071175.db2.gz XQMHHTZEDRMYCK-ZDUSSCGKSA-N 0 3 249.402 3.352 20 0 BGADHN CCC[C@@H](NCc1ccn(CC)n1)C(C)(C)C ZINC000414215395 386070592 /nfs/dbraw/zinc/07/05/92/386070592.db2.gz XIDYXCVCOBQMMG-CYBMUJFWSA-N 0 3 237.391 3.207 20 0 BGADHN CCC[C@H](NCc1ccn(CC)n1)C(C)(C)C ZINC000414215396 191471677 /nfs/dbraw/zinc/47/16/77/191471677.db2.gz XIDYXCVCOBQMMG-ZDUSSCGKSA-N 0 3 237.391 3.207 20 0 BGADHN CC[C@@H]1C[C@@H](C)CC[C@@H]1NCc1ccn(CC)n1 ZINC000414215741 386071494 /nfs/dbraw/zinc/07/14/94/386071494.db2.gz YMFKXJSGYYEQIP-GUTXKFCHSA-N 0 3 249.402 3.207 20 0 BGADHN CC[C@@H]1C[C@@H](C)CC[C@H]1NCc1ccn(CC)n1 ZINC000414215742 386070309 /nfs/dbraw/zinc/07/03/09/386070309.db2.gz YMFKXJSGYYEQIP-GZBFAFLISA-N 0 3 249.402 3.207 20 0 BGADHN CC[C@@H]1C[C@H](C)CC[C@@H]1NCc1ccn(CC)n1 ZINC000414215743 386071447 /nfs/dbraw/zinc/07/14/47/386071447.db2.gz YMFKXJSGYYEQIP-NFAWXSAZSA-N 0 3 249.402 3.207 20 0 BGADHN CC[C@@H]1C[C@H](C)CC[C@H]1NCc1ccn(CC)n1 ZINC000414215744 191471470 /nfs/dbraw/zinc/47/14/70/191471470.db2.gz YMFKXJSGYYEQIP-UMVBOHGHSA-N 0 3 249.402 3.207 20 0 BGADHN CC[C@@H](C)C[C@@H](CC)NCc1ccn(CC)n1 ZINC000414216258 386071309 /nfs/dbraw/zinc/07/13/09/386071309.db2.gz ZITMXQULOHZWSK-CHWSQXEVSA-N 0 3 237.391 3.207 20 0 BGADHN CC[C@@H](C)C[C@H](CC)NCc1ccn(CC)n1 ZINC000414216259 386070721 /nfs/dbraw/zinc/07/07/21/386070721.db2.gz ZITMXQULOHZWSK-OLZOCXBDSA-N 0 3 237.391 3.207 20 0 BGADHN CC[C@H](C[C@@H](C)CC)NCc1ccn(CC)n1 ZINC000414216260 386071501 /nfs/dbraw/zinc/07/15/01/386071501.db2.gz ZITMXQULOHZWSK-QWHCGFSZSA-N 0 3 237.391 3.207 20 0 BGADHN CC[C@H](C)C[C@H](CC)NCc1ccn(CC)n1 ZINC000414216261 386070358 /nfs/dbraw/zinc/07/03/58/386070358.db2.gz ZITMXQULOHZWSK-STQMWFEESA-N 0 3 237.391 3.207 20 0 BGADHN CCc1ccc([C@@H](C)N[C@@H]2CCO[C@H]2CC)o1 ZINC000414216984 386071965 /nfs/dbraw/zinc/07/19/65/386071965.db2.gz XNVHVQJMKWABMS-RTXFEEFZSA-N 0 3 237.343 3.060 20 0 BGADHN CCc1ccc([C@H](C)N[C@@H]2CCO[C@H]2CC)o1 ZINC000414216986 386072643 /nfs/dbraw/zinc/07/26/43/386072643.db2.gz XNVHVQJMKWABMS-UHTWSYAYSA-N 0 3 237.343 3.060 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2CS[C@@H](C)C2)oc1C ZINC000414220037 386073187 /nfs/dbraw/zinc/07/31/87/386073187.db2.gz BONKRTYWUDWJOK-JBLDHEPKSA-N 0 3 239.384 3.441 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2CS[C@H](C)C2)oc1C ZINC000414220045 386073086 /nfs/dbraw/zinc/07/30/86/386073086.db2.gz BONKRTYWUDWJOK-JFGNBEQYSA-N 0 3 239.384 3.441 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CS[C@@H](C)C2)oc1C ZINC000414220047 386072823 /nfs/dbraw/zinc/07/28/23/386072823.db2.gz BONKRTYWUDWJOK-NHCYSSNCSA-N 0 3 239.384 3.441 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CS[C@H](C)C2)oc1C ZINC000414220050 386073969 /nfs/dbraw/zinc/07/39/69/386073969.db2.gz BONKRTYWUDWJOK-SCVCMEIPSA-N 0 3 239.384 3.441 20 0 BGADHN CC[C@H](N[C@@H](C)c1nccs1)[C@@H]1C[C@@H]1C ZINC000414222576 386074710 /nfs/dbraw/zinc/07/47/10/386074710.db2.gz MWHXNWGPLDGZLH-MMWGEVLESA-N 0 3 224.373 3.228 20 0 BGADHN CC[C@H](N[C@@H](C)c1nccs1)[C@H]1C[C@@H]1C ZINC000414222577 386074755 /nfs/dbraw/zinc/07/47/55/386074755.db2.gz MWHXNWGPLDGZLH-NAKRPEOUSA-N 0 3 224.373 3.228 20 0 BGADHN CC[C@H](N[C@@H](C)c1nccs1)[C@H]1C[C@H]1C ZINC000414222578 386074987 /nfs/dbraw/zinc/07/49/87/386074987.db2.gz MWHXNWGPLDGZLH-RCWTZXSCSA-N 0 3 224.373 3.228 20 0 BGADHN CC[C@H](N[C@@H](C)c1nccs1)[C@@H]1C[C@H]1C ZINC000414222579 386075638 /nfs/dbraw/zinc/07/56/38/386075638.db2.gz MWHXNWGPLDGZLH-YTWAJWBKSA-N 0 3 224.373 3.228 20 0 BGADHN CCc1ccc([C@H](C)N[C@@H]2CS[C@@H](C)C2)o1 ZINC000414232032 386077801 /nfs/dbraw/zinc/07/78/01/386077801.db2.gz PRLLWUIJVVIRLS-DCAQKATOSA-N 0 3 239.384 3.387 20 0 BGADHN CCc1ccc([C@H](C)N[C@H]2CS[C@@H](C)C2)o1 ZINC000414232034 386077152 /nfs/dbraw/zinc/07/71/52/386077152.db2.gz PRLLWUIJVVIRLS-GARJFASQSA-N 0 3 239.384 3.387 20 0 BGADHN CCc1ccc([C@H](C)N[C@H]2CS[C@H](C)C2)o1 ZINC000414232036 386078077 /nfs/dbraw/zinc/07/80/77/386078077.db2.gz PRLLWUIJVVIRLS-OUAUKWLOSA-N 0 3 239.384 3.387 20 0 BGADHN CCc1ccc([C@H](C)N[C@@H]2CS[C@H](C)C2)o1 ZINC000414232038 191474806 /nfs/dbraw/zinc/47/48/06/191474806.db2.gz PRLLWUIJVVIRLS-VWYCJHECSA-N 0 3 239.384 3.387 20 0 BGADHN CCCC[C@@H](CC)CNCc1cc(C)n(C)n1 ZINC000414232041 191474651 /nfs/dbraw/zinc/47/46/51/191474651.db2.gz AKSPTYJXEDYFDK-CYBMUJFWSA-N 0 3 237.391 3.035 20 0 BGADHN CCCC[C@H](CC)CNCc1cc(C)n(C)n1 ZINC000414232042 386077494 /nfs/dbraw/zinc/07/74/94/386077494.db2.gz AKSPTYJXEDYFDK-ZDUSSCGKSA-N 0 3 237.391 3.035 20 0 BGADHN CO[C@@](C)([C@@H](C)N[C@H](C)c1ccco1)C1CC1 ZINC000414233120 386077972 /nfs/dbraw/zinc/07/79/72/386077972.db2.gz QZMHGNVNFKYXPC-GYSYKLTISA-N 0 3 237.343 3.134 20 0 BGADHN CO[C@@](C)([C@H](C)N[C@@H](C)c1ccco1)C1CC1 ZINC000414233121 386077869 /nfs/dbraw/zinc/07/78/69/386077869.db2.gz QZMHGNVNFKYXPC-MJVIPROJSA-N 0 3 237.343 3.134 20 0 BGADHN CO[C@@](C)([C@H](C)N[C@H](C)c1ccco1)C1CC1 ZINC000414233122 386077333 /nfs/dbraw/zinc/07/73/33/386077333.db2.gz QZMHGNVNFKYXPC-SUNKGSAMSA-N 0 3 237.343 3.134 20 0 BGADHN CO[C@@](C)([C@@H](C)N[C@@H](C)c1ccco1)C1CC1 ZINC000414233123 386077691 /nfs/dbraw/zinc/07/76/91/386077691.db2.gz QZMHGNVNFKYXPC-WDMOLILDSA-N 0 3 237.343 3.134 20 0 BGADHN C[C@@H](NCC(C)(C)OCC1CC1)c1ccco1 ZINC000414234410 386079758 /nfs/dbraw/zinc/07/97/58/386079758.db2.gz CJDGGYXOIMTHCM-LLVKDONJSA-N 0 3 237.343 3.135 20 0 BGADHN C[C@H](NCC(C)(C)OCC1CC1)c1ccco1 ZINC000414234411 386079012 /nfs/dbraw/zinc/07/90/12/386079012.db2.gz CJDGGYXOIMTHCM-NSHDSACASA-N 0 3 237.343 3.135 20 0 BGADHN CCc1ncc(CNCCC2=CCCCC2)cn1 ZINC000414238157 386053413 /nfs/dbraw/zinc/05/34/13/386053413.db2.gz HQZMCWFEDKZJAU-UHFFFAOYSA-N 0 3 245.370 3.019 20 0 BGADHN CCc1ncc(CN[C@H](C)CCCC(C)C)cn1 ZINC000414241195 386054995 /nfs/dbraw/zinc/05/49/95/386054995.db2.gz LAICEEWBYZUSLM-CYBMUJFWSA-N 0 3 249.402 3.343 20 0 BGADHN CCc1ncc(CN[C@@H](C)CCCC(C)C)cn1 ZINC000414241196 386055294 /nfs/dbraw/zinc/05/52/94/386055294.db2.gz LAICEEWBYZUSLM-ZDUSSCGKSA-N 0 3 249.402 3.343 20 0 BGADHN CC[C@H](CN[C@H](C)c1ncc[nH]1)CC(F)(F)F ZINC000414245066 487800191 /nfs/dbraw/zinc/80/01/91/487800191.db2.gz BMRNIWXCAGQVCW-BDAKNGLRSA-N 0 3 249.280 3.039 20 0 BGADHN CC[C@@H](CN[C@@H](C)c1ncc[nH]1)CC(F)(F)F ZINC000414245067 487799780 /nfs/dbraw/zinc/79/97/80/487799780.db2.gz BMRNIWXCAGQVCW-DTWKUNHWSA-N 0 3 249.280 3.039 20 0 BGADHN CC[C@H](CN[C@@H](C)c1ncc[nH]1)CC(F)(F)F ZINC000414245069 487800574 /nfs/dbraw/zinc/80/05/74/487800574.db2.gz BMRNIWXCAGQVCW-IUCAKERBSA-N 0 3 249.280 3.039 20 0 BGADHN CC[C@@H](CN[C@H](C)c1ncc[nH]1)CC(F)(F)F ZINC000414245071 487800342 /nfs/dbraw/zinc/80/03/42/487800342.db2.gz BMRNIWXCAGQVCW-RKDXNWHRSA-N 0 3 249.280 3.039 20 0 BGADHN Cc1ccc(CN[C@H](C)CCCC(C)C)nn1 ZINC000414245188 386054440 /nfs/dbraw/zinc/05/44/40/386054440.db2.gz RBIQEMTXKHPTCW-GFCCVEGCSA-N 0 3 235.375 3.089 20 0 BGADHN Cc1ccc(CN[C@@H](C)CCCC(C)C)nn1 ZINC000414245189 386055358 /nfs/dbraw/zinc/05/53/58/386055358.db2.gz RBIQEMTXKHPTCW-LBPRGKRZSA-N 0 3 235.375 3.089 20 0 BGADHN Cc1cc(CN[C@H](C)CCCC(C)C)nn1C ZINC000414246939 386058043 /nfs/dbraw/zinc/05/80/43/386058043.db2.gz SPSFXCICRXWLRQ-GFCCVEGCSA-N 0 3 237.391 3.033 20 0 BGADHN Cc1cc(CN[C@@H](C)CCCC(C)C)nn1C ZINC000414246940 386057367 /nfs/dbraw/zinc/05/73/67/386057367.db2.gz SPSFXCICRXWLRQ-LBPRGKRZSA-N 0 3 237.391 3.033 20 0 BGADHN CCc1ncc(CNCCCC2CCCC2)cn1 ZINC000414252279 386059943 /nfs/dbraw/zinc/05/99/43/386059943.db2.gz ALWLZNCNXITBIR-UHFFFAOYSA-N 0 3 247.386 3.099 20 0 BGADHN Cc1occc1CNCC1(c2ccccc2)CC1 ZINC000414260523 386081963 /nfs/dbraw/zinc/08/19/63/386081963.db2.gz HGHISDZZYLGFKT-UHFFFAOYSA-N 0 3 241.334 3.409 20 0 BGADHN CCc1ncc(CNCCC2CCCCC2)cn1 ZINC000414272138 386088925 /nfs/dbraw/zinc/08/89/25/386088925.db2.gz RJZNUKCIXCOPEO-UHFFFAOYSA-N 0 3 247.386 3.099 20 0 BGADHN Cc1occc1CNCCOc1ccc(C)cc1 ZINC000414273008 386090166 /nfs/dbraw/zinc/09/01/66/386090166.db2.gz XUALTPIYMBYKFR-UHFFFAOYSA-N 0 3 245.322 3.065 20 0 BGADHN Cc1ccc(CNC(C)(C)CC(C)(C)C)nn1 ZINC000414273929 386089469 /nfs/dbraw/zinc/08/94/69/386089469.db2.gz UDSORYHXYCNLKR-UHFFFAOYSA-N 0 3 235.375 3.089 20 0 BGADHN Cc1cc(CNCCCC2CCCCC2)nn1C ZINC000414276491 386092440 /nfs/dbraw/zinc/09/24/40/386092440.db2.gz UJOTZQMKHANNFH-UHFFFAOYSA-N 0 3 249.402 3.179 20 0 BGADHN F[C@@H]1CCCC[C@H]1NC1Cc2ccccc2C1 ZINC000414276948 387021658 /nfs/dbraw/zinc/02/16/58/387021658.db2.gz AQNQIRIVQCJWTO-HUUCEWRRSA-N 0 3 233.330 3.024 20 0 BGADHN Cc1ccncc1[C@H](C)N[C@@H]1CCCC[C@H]1F ZINC000414280063 191479444 /nfs/dbraw/zinc/47/94/44/191479444.db2.gz BWRNTMQFDZVHRW-IACUBPJLSA-N 0 3 236.334 3.321 20 0 BGADHN Cc1ccncc1[C@@H](C)N[C@@H]1CCCC[C@H]1F ZINC000414280064 386091863 /nfs/dbraw/zinc/09/18/63/386091863.db2.gz BWRNTMQFDZVHRW-MRVWCRGKSA-N 0 3 236.334 3.321 20 0 BGADHN CC(C)(C)OC1CC(N[C@@H]2CCCC[C@H]2F)C1 ZINC000414281927 386093737 /nfs/dbraw/zinc/09/37/37/386093737.db2.gz GZSXBUNISYXMCH-FIYWTHMPSA-N 0 3 243.366 3.203 20 0 BGADHN CC[C@H](N[C@H](C)c1ccc(C)o1)[C@@H](O)C(C)C ZINC000414288556 386099147 /nfs/dbraw/zinc/09/91/47/386099147.db2.gz GVZQQQWWAAEUMA-DYEKYZERSA-N 0 3 239.359 3.034 20 0 BGADHN CC[C@H](N[C@H](C)c1ccc(C)o1)[C@H](O)C(C)C ZINC000414288559 386098766 /nfs/dbraw/zinc/09/87/66/386098766.db2.gz GVZQQQWWAAEUMA-MBNYWOFBSA-N 0 3 239.359 3.034 20 0 BGADHN CC[C@H](N[C@@H](C)c1ccc(C)o1)[C@@H](O)C(C)C ZINC000414288561 386098042 /nfs/dbraw/zinc/09/80/42/386098042.db2.gz GVZQQQWWAAEUMA-OBJOEFQTSA-N 0 3 239.359 3.034 20 0 BGADHN CC[C@H](N[C@@H](C)c1ccc(C)o1)[C@H](O)C(C)C ZINC000414288562 386098365 /nfs/dbraw/zinc/09/83/65/386098365.db2.gz GVZQQQWWAAEUMA-SGMGOOAPSA-N 0 3 239.359 3.034 20 0 BGADHN Cc1ccc([C@H](C)NC[C@@H]2C[C@H](C)O[C@H]2C)o1 ZINC000414290773 386101539 /nfs/dbraw/zinc/10/15/39/386101539.db2.gz XDOASBVNIDDDSJ-CYDGBPFRSA-N 0 3 237.343 3.052 20 0 BGADHN Cc1ccc([C@H](C)NC[C@@H]2C[C@H](C)O[C@@H]2C)o1 ZINC000414290777 386100580 /nfs/dbraw/zinc/10/05/80/386100580.db2.gz XDOASBVNIDDDSJ-RVMXOQNASA-N 0 3 237.343 3.052 20 0 BGADHN Cc1ccc([C@H](C)NC[C@@H]2C[C@@H](C)O[C@H]2C)o1 ZINC000414290779 386101933 /nfs/dbraw/zinc/10/19/33/386101933.db2.gz XDOASBVNIDDDSJ-VOAKCMCISA-N 0 3 237.343 3.052 20 0 BGADHN Cc1ccc([C@H](C)NC[C@@H]2C[C@@H](C)O[C@@H]2C)o1 ZINC000414290781 386102027 /nfs/dbraw/zinc/10/20/27/386102027.db2.gz XDOASBVNIDDDSJ-XQHKEYJVSA-N 0 3 237.343 3.052 20 0 BGADHN Cn1ccnc1NCc1ccc(C(C)(C)C)cc1 ZINC000414291171 386101741 /nfs/dbraw/zinc/10/17/41/386101741.db2.gz AUCJGKVIXNPVTR-UHFFFAOYSA-N 0 3 243.354 3.330 20 0 BGADHN C[C@H](N[C@H]1CCC[C@@H]1C(C)(C)C)c1nccn1C ZINC000414291574 386101398 /nfs/dbraw/zinc/10/13/98/386101398.db2.gz BGAPWUIRDSNWHQ-AVGNSLFASA-N 0 3 249.402 3.286 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@@H]1C(C)(C)C)c1nccn1C ZINC000414291576 191482705 /nfs/dbraw/zinc/48/27/05/191482705.db2.gz BGAPWUIRDSNWHQ-RWMBFGLXSA-N 0 3 249.402 3.286 20 0 BGADHN C[C@H](N[C@H]1CCC[C@H]1C(C)(C)C)c1nccn1C ZINC000414291578 386100995 /nfs/dbraw/zinc/10/09/95/386100995.db2.gz BGAPWUIRDSNWHQ-XQQFMLRXSA-N 0 3 249.402 3.286 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@H]1C(C)(C)C)c1nccn1C ZINC000414291579 386100373 /nfs/dbraw/zinc/10/03/73/386100373.db2.gz BGAPWUIRDSNWHQ-YNEHKIRRSA-N 0 3 249.402 3.286 20 0 BGADHN C[C@H](N[C@H]1CCC[C@@H]1C(C)(C)C)c1ccn(C)n1 ZINC000414291588 386101962 /nfs/dbraw/zinc/10/19/62/386101962.db2.gz BGTNDQTXXLGICI-OBJOEFQTSA-N 0 3 249.402 3.286 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@H]1C(C)(C)C)c1ccn(C)n1 ZINC000414291589 386101470 /nfs/dbraw/zinc/10/14/70/386101470.db2.gz BGTNDQTXXLGICI-OUCADQQQSA-N 0 3 249.402 3.286 20 0 BGADHN C[C@H](N[C@H]1CCC[C@H]1C(C)(C)C)c1ccn(C)n1 ZINC000414291591 386101312 /nfs/dbraw/zinc/10/13/12/386101312.db2.gz BGTNDQTXXLGICI-SCRDCRAPSA-N 0 3 249.402 3.286 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@@H]1C(C)(C)C)c1ccn(C)n1 ZINC000414291592 386102053 /nfs/dbraw/zinc/10/20/53/386102053.db2.gz BGTNDQTXXLGICI-SGMGOOAPSA-N 0 3 249.402 3.286 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@H]1C(C)(C)C)c1ncc[nH]1 ZINC000414291642 487802339 /nfs/dbraw/zinc/80/23/39/487802339.db2.gz BKVCMQJVMDNHAI-QJPTWQEYSA-N 0 3 235.375 3.275 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@@H]1C(C)(C)C)c1ncc[nH]1 ZINC000414291644 487802321 /nfs/dbraw/zinc/80/23/21/487802321.db2.gz BKVCMQJVMDNHAI-SDDRHHMPSA-N 0 3 235.375 3.275 20 0 BGADHN C[C@H](N[C@H]1CCC[C@@H]1C(C)(C)C)c1ncc[nH]1 ZINC000414291645 487802112 /nfs/dbraw/zinc/80/21/12/487802112.db2.gz BKVCMQJVMDNHAI-SRVKXCTJSA-N 0 3 235.375 3.275 20 0 BGADHN C[C@H](N[C@H]1CCC[C@H]1C(C)(C)C)c1ncc[nH]1 ZINC000414291647 487802297 /nfs/dbraw/zinc/80/22/97/487802297.db2.gz BKVCMQJVMDNHAI-TUAOUCFPSA-N 0 3 235.375 3.275 20 0 BGADHN CCc1cccc(Cl)c1CNc1nccn1C ZINC000414292751 386101218 /nfs/dbraw/zinc/10/12/18/386101218.db2.gz CEGMELDSUKLSRN-UHFFFAOYSA-N 0 3 249.745 3.248 20 0 BGADHN Cn1ccnc1NCc1ccc(C2CCC2)cc1 ZINC000414296264 386103006 /nfs/dbraw/zinc/10/30/06/386103006.db2.gz GKAAQBGHXLHQRF-UHFFFAOYSA-N 0 3 241.338 3.300 20 0 BGADHN COC1([C@H](C)N[C@H](C)c2cccc(O)c2)CCC1 ZINC000414296313 386103165 /nfs/dbraw/zinc/10/31/65/386103165.db2.gz DVQCKDBWFDGLOP-NEPJUHHUSA-N 0 3 249.354 3.000 20 0 BGADHN COC1([C@@H](C)N[C@@H](C)c2cccc(O)c2)CCC1 ZINC000414296314 386104432 /nfs/dbraw/zinc/10/44/32/386104432.db2.gz DVQCKDBWFDGLOP-NWDGAFQWSA-N 0 3 249.354 3.000 20 0 BGADHN COC1([C@H](C)N[C@@H](C)c2cccc(O)c2)CCC1 ZINC000414296316 386104099 /nfs/dbraw/zinc/10/40/99/386104099.db2.gz DVQCKDBWFDGLOP-RYUDHWBXSA-N 0 3 249.354 3.000 20 0 BGADHN COC1([C@@H](C)N[C@H](C)c2cccc(O)c2)CCC1 ZINC000414296318 386102859 /nfs/dbraw/zinc/10/28/59/386102859.db2.gz DVQCKDBWFDGLOP-VXGBXAGGSA-N 0 3 249.354 3.000 20 0 BGADHN Cc1occc1CNCCOc1ccccc1C ZINC000414300621 386107599 /nfs/dbraw/zinc/10/75/99/386107599.db2.gz AROOFBGSGMDPRZ-UHFFFAOYSA-N 0 3 245.322 3.065 20 0 BGADHN COC1([C@H](C)N[C@H](C)c2ccc(C)o2)CCC1 ZINC000414303948 386137881 /nfs/dbraw/zinc/13/78/81/386137881.db2.gz CJRUUGSQLGBLCB-NEPJUHHUSA-N 0 3 237.343 3.196 20 0 BGADHN COC1([C@@H](C)N[C@@H](C)c2ccc(C)o2)CCC1 ZINC000414303950 386137477 /nfs/dbraw/zinc/13/74/77/386137477.db2.gz CJRUUGSQLGBLCB-NWDGAFQWSA-N 0 3 237.343 3.196 20 0 BGADHN COC1([C@H](C)N[C@@H](C)c2ccc(C)o2)CCC1 ZINC000414303951 191496731 /nfs/dbraw/zinc/49/67/31/191496731.db2.gz CJRUUGSQLGBLCB-RYUDHWBXSA-N 0 3 237.343 3.196 20 0 BGADHN COC1([C@@H](C)N[C@H](C)c2ccc(C)o2)CCC1 ZINC000414303954 386137630 /nfs/dbraw/zinc/13/76/30/386137630.db2.gz CJRUUGSQLGBLCB-VXGBXAGGSA-N 0 3 237.343 3.196 20 0 BGADHN CC(C)Cc1ccc(CNc2nccn2C)cc1 ZINC000414304327 386138713 /nfs/dbraw/zinc/13/87/13/386138713.db2.gz OPJSLTURPKFKOW-UHFFFAOYSA-N 0 3 243.354 3.231 20 0 BGADHN CCSc1cccc(CNc2nccn2C)c1 ZINC000414304466 386137618 /nfs/dbraw/zinc/13/76/18/386137618.db2.gz OUJGHXTZWQHOEZ-UHFFFAOYSA-N 0 3 247.367 3.144 20 0 BGADHN COC1([C@H](C)N[C@H]2CCCc3occc32)CCC1 ZINC000414304991 386140867 /nfs/dbraw/zinc/14/08/67/386140867.db2.gz MWONQGLRULRJQK-AAEUAGOBSA-N 0 3 249.354 3.204 20 0 BGADHN COC1([C@@H](C)N[C@@H]2CCCc3occc32)CCC1 ZINC000414304994 386140388 /nfs/dbraw/zinc/14/03/88/386140388.db2.gz MWONQGLRULRJQK-DGCLKSJQSA-N 0 3 249.354 3.204 20 0 BGADHN COC1([C@H](C)N[C@@H]2CCCc3occc32)CCC1 ZINC000414304997 386140830 /nfs/dbraw/zinc/14/08/30/386140830.db2.gz MWONQGLRULRJQK-WCQYABFASA-N 0 3 249.354 3.204 20 0 BGADHN COC1([C@@H](C)N[C@H]2CCCc3occc32)CCC1 ZINC000414305000 386140360 /nfs/dbraw/zinc/14/03/60/386140360.db2.gz MWONQGLRULRJQK-YPMHNXCESA-N 0 3 249.354 3.204 20 0 BGADHN CC[C@H](N[C@@H]1CCCC[C@H]1F)c1ccncc1 ZINC000414305351 386141281 /nfs/dbraw/zinc/14/12/81/386141281.db2.gz FTBUVKOSQFJGNW-HZSPNIEDSA-N 0 3 236.334 3.403 20 0 BGADHN CC[C@@H](N[C@@H]1CCCC[C@H]1F)c1ccncc1 ZINC000414305353 386139588 /nfs/dbraw/zinc/13/95/88/386139588.db2.gz FTBUVKOSQFJGNW-MGPQQGTHSA-N 0 3 236.334 3.403 20 0 BGADHN Cc1cc(Cl)cc(C)c1CNc1nccn1C ZINC000414305480 386140860 /nfs/dbraw/zinc/14/08/60/386140860.db2.gz PXULSYQXQUEZKA-UHFFFAOYSA-N 0 3 249.745 3.302 20 0 BGADHN Cc1occc1CNc1cc(C)cc(C)n1 ZINC000414306072 386111797 /nfs/dbraw/zinc/11/17/97/386111797.db2.gz XSXCIPGEDFKQKX-UHFFFAOYSA-N 0 3 216.284 3.212 20 0 BGADHN C[C@H](N[C@H]1CCC[C@@H]1C(C)(C)C)c1cnccn1 ZINC000414309291 386114445 /nfs/dbraw/zinc/11/44/45/386114445.db2.gz UTPVDHCIBJPSOQ-AVGNSLFASA-N 0 3 247.386 3.342 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@@H]1C(C)(C)C)c1cnccn1 ZINC000414309294 386113016 /nfs/dbraw/zinc/11/30/16/386113016.db2.gz UTPVDHCIBJPSOQ-RWMBFGLXSA-N 0 3 247.386 3.342 20 0 BGADHN C[C@H](N[C@H]1CCC[C@H]1C(C)(C)C)c1cnccn1 ZINC000414309296 386114418 /nfs/dbraw/zinc/11/44/18/386114418.db2.gz UTPVDHCIBJPSOQ-XQQFMLRXSA-N 0 3 247.386 3.342 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@H]1C(C)(C)C)c1cnccn1 ZINC000414309298 386113021 /nfs/dbraw/zinc/11/30/21/386113021.db2.gz UTPVDHCIBJPSOQ-YNEHKIRRSA-N 0 3 247.386 3.342 20 0 BGADHN Cn1ccnc1NCc1ccc(C(C)(C)C)s1 ZINC000414311240 191488230 /nfs/dbraw/zinc/48/82/30/191488230.db2.gz YBBCCJLLKLNKCV-UHFFFAOYSA-N 0 3 249.383 3.391 20 0 BGADHN Cc1cncc([C@H](C)N[C@@H]2CCCC[C@H]2F)c1 ZINC000414311323 386113836 /nfs/dbraw/zinc/11/38/36/386113836.db2.gz MLXRHXCSSKPROI-IACUBPJLSA-N 0 3 236.334 3.321 20 0 BGADHN Cc1cncc([C@@H](C)N[C@@H]2CCCC[C@H]2F)c1 ZINC000414311324 386112832 /nfs/dbraw/zinc/11/28/32/386112832.db2.gz MLXRHXCSSKPROI-MRVWCRGKSA-N 0 3 236.334 3.321 20 0 BGADHN CC(C)(C)[C@@H]1CCC[C@@H]1N[C@H]1CCn2ccnc21 ZINC000414311561 386114168 /nfs/dbraw/zinc/11/41/68/386114168.db2.gz YHFKKTDMZKPSIS-AGIUHOORSA-N 0 3 247.386 3.132 20 0 BGADHN CC(C)(C)[C@@H]1CCC[C@@H]1N[C@@H]1CCn2ccnc21 ZINC000414311563 386113641 /nfs/dbraw/zinc/11/36/41/386113641.db2.gz YHFKKTDMZKPSIS-FRRDWIJNSA-N 0 3 247.386 3.132 20 0 BGADHN CC(C)(C)[C@@H]1CCC[C@H]1N[C@@H]1CCn2ccnc21 ZINC000414311565 386113985 /nfs/dbraw/zinc/11/39/85/386113985.db2.gz YHFKKTDMZKPSIS-JHJVBQTASA-N 0 3 247.386 3.132 20 0 BGADHN CC(C)(C)[C@@H]1CCC[C@H]1N[C@H]1CCn2ccnc21 ZINC000414311567 386113481 /nfs/dbraw/zinc/11/34/81/386113481.db2.gz YHFKKTDMZKPSIS-UPJWGTAASA-N 0 3 247.386 3.132 20 0 BGADHN Cc1occc1CNCCCOC1CCCC1 ZINC000414314241 386115740 /nfs/dbraw/zinc/11/57/40/386115740.db2.gz CRVZSFWKDJAMEG-UHFFFAOYSA-N 0 3 237.343 3.027 20 0 BGADHN C[C@@H](Cc1ccoc1)N[C@@H]1CCCC[C@H]1F ZINC000414318904 386118885 /nfs/dbraw/zinc/11/88/85/386118885.db2.gz YMILIOVXTVDHJT-CYZMBNFOSA-N 0 3 225.307 3.081 20 0 BGADHN C[C@H](Cc1ccoc1)N[C@@H]1CCCC[C@H]1F ZINC000414318905 386117828 /nfs/dbraw/zinc/11/78/28/386117828.db2.gz YMILIOVXTVDHJT-RAIGVLPGSA-N 0 3 225.307 3.081 20 0 BGADHN CCc1ncc(CNCCCCC(C)(C)C)cn1 ZINC000414321987 386121126 /nfs/dbraw/zinc/12/11/26/386121126.db2.gz DWDDDZXEFPEPNL-UHFFFAOYSA-N 0 3 249.402 3.345 20 0 BGADHN Cc1cc(CNCCCCC(C)(C)C)nn1C ZINC000414324542 386120520 /nfs/dbraw/zinc/12/05/20/386120520.db2.gz ITQVHTIAWAJEBW-UHFFFAOYSA-N 0 3 237.391 3.035 20 0 BGADHN CCCC1CCC(NCc2cc(C)n(C)n2)CC1 ZINC000414325743 191490302 /nfs/dbraw/zinc/49/03/02/191490302.db2.gz XNTZWJMYXJITAF-UHFFFAOYSA-N 0 3 249.402 3.177 20 0 BGADHN COC1([C@@H](C)N[C@H](C)c2ccsc2)CCC1 ZINC000414326571 386121471 /nfs/dbraw/zinc/12/14/71/386121471.db2.gz YHDKXGDAUJDXBU-GHMZBOCLSA-N 0 3 239.384 3.356 20 0 BGADHN COC1([C@H](C)N[C@H](C)c2ccsc2)CCC1 ZINC000414326574 386121465 /nfs/dbraw/zinc/12/14/65/386121465.db2.gz YHDKXGDAUJDXBU-MNOVXSKESA-N 0 3 239.384 3.356 20 0 BGADHN COC1([C@H](C)N[C@@H](C)c2ccsc2)CCC1 ZINC000414326575 386121688 /nfs/dbraw/zinc/12/16/88/386121688.db2.gz YHDKXGDAUJDXBU-QWRGUYRKSA-N 0 3 239.384 3.356 20 0 BGADHN COC1([C@@H](C)N[C@@H](C)c2ccsc2)CCC1 ZINC000414326578 386120745 /nfs/dbraw/zinc/12/07/45/386120745.db2.gz YHDKXGDAUJDXBU-WDEREUQCSA-N 0 3 239.384 3.356 20 0 BGADHN c1coc([C@@H]2C[C@H]2N[C@H]2CCc3ccccc32)c1 ZINC000414327009 386120006 /nfs/dbraw/zinc/12/00/06/386120006.db2.gz AXRIJDGACJGSDZ-QLFBSQMISA-N 0 3 239.318 3.413 20 0 BGADHN c1coc([C@@H]2C[C@H]2N[C@@H]2CCc3ccccc32)c1 ZINC000414327012 386120267 /nfs/dbraw/zinc/12/02/67/386120267.db2.gz AXRIJDGACJGSDZ-RBSFLKMASA-N 0 3 239.318 3.413 20 0 BGADHN C[C@@H](N[C@@H]1C[C@H]1c1ccco1)c1cncc(F)c1 ZINC000414328004 386125499 /nfs/dbraw/zinc/12/54/99/386125499.db2.gz BZOPZXGWWMRFQU-OASPWFOLSA-N 0 3 246.285 3.020 20 0 BGADHN C[C@H](N[C@@H]1C[C@H]1c1ccco1)c1cncc(F)c1 ZINC000414328014 386125379 /nfs/dbraw/zinc/12/53/79/386125379.db2.gz BZOPZXGWWMRFQU-ZWKOPEQDSA-N 0 3 246.285 3.020 20 0 BGADHN CO[C@@H](CNCc1ccoc1C)c1ccccc1 ZINC000414328122 386125173 /nfs/dbraw/zinc/12/51/73/386125173.db2.gz YTJQPJGXUDGELP-HNNXBMFYSA-N 0 3 245.322 3.065 20 0 BGADHN CO[C@H](CNCc1ccoc1C)c1ccccc1 ZINC000414328125 386124381 /nfs/dbraw/zinc/12/43/81/386124381.db2.gz YTJQPJGXUDGELP-OAHLLOKOSA-N 0 3 245.322 3.065 20 0 BGADHN Cc1cc(CN[C@H]2CCC[C@H](C(C)C)C2)nn1C ZINC000414329553 386125236 /nfs/dbraw/zinc/12/52/36/386125236.db2.gz QWBCJDUVTRHELT-KBPBESRZSA-N 0 3 249.402 3.033 20 0 BGADHN Cc1cc(CN[C@H]2CCC[C@@H](C(C)C)C2)nn1C ZINC000414329555 386123855 /nfs/dbraw/zinc/12/38/55/386123855.db2.gz QWBCJDUVTRHELT-KGLIPLIRSA-N 0 3 249.402 3.033 20 0 BGADHN Cc1cc(CN[C@@H]2CCC[C@H](C(C)C)C2)nn1C ZINC000414329557 386124078 /nfs/dbraw/zinc/12/40/78/386124078.db2.gz QWBCJDUVTRHELT-UONOGXRCSA-N 0 3 249.402 3.033 20 0 BGADHN Cc1cc(CN[C@@H]2CCC[C@@H](C(C)C)C2)nn1C ZINC000414329559 386124725 /nfs/dbraw/zinc/12/47/25/386124725.db2.gz QWBCJDUVTRHELT-ZIAGYGMSSA-N 0 3 249.402 3.033 20 0 BGADHN CCC[C@H](CC)NCc1nnc(C2CC2)s1 ZINC000414330707 386125133 /nfs/dbraw/zinc/12/51/33/386125133.db2.gz SEOMLHCMSCFPRO-JTQLQIEISA-N 0 3 239.388 3.084 20 0 BGADHN CCC[C@@H](CC)NCc1nnc(C2CC2)s1 ZINC000414330709 386124063 /nfs/dbraw/zinc/12/40/63/386124063.db2.gz SEOMLHCMSCFPRO-SNVBAGLBSA-N 0 3 239.388 3.084 20 0 BGADHN Cc1ccc(CNCCCCC(C)(C)C)nn1 ZINC000414331188 386124901 /nfs/dbraw/zinc/12/49/01/386124901.db2.gz QFYZMHPVKSTDPM-UHFFFAOYSA-N 0 3 235.375 3.091 20 0 BGADHN Cc1ccc([C@@H](C)N[C@@H]2C[C@H]2c2ccco2)o1 ZINC000414331378 386123358 /nfs/dbraw/zinc/12/33/58/386123358.db2.gz FIUOOVCKSQUOQJ-IJLUTSLNSA-N 0 3 231.295 3.388 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H]2C[C@H]2c2ccco2)o1 ZINC000414331381 191491832 /nfs/dbraw/zinc/49/18/32/191491832.db2.gz FIUOOVCKSQUOQJ-QJPTWQEYSA-N 0 3 231.295 3.388 20 0 BGADHN C[C@@H](NCC(C)(C)c1cccnc1)c1ccco1 ZINC000414332330 386128324 /nfs/dbraw/zinc/12/83/24/386128324.db2.gz RNKGMEVDZJLVDH-GFCCVEGCSA-N 0 3 244.338 3.303 20 0 BGADHN C[C@H](NCC(C)(C)c1cccnc1)c1ccco1 ZINC000414332332 191490663 /nfs/dbraw/zinc/49/06/63/191490663.db2.gz RNKGMEVDZJLVDH-LBPRGKRZSA-N 0 3 244.338 3.303 20 0 BGADHN CCC1CCC(CNCc2cc(C)n(C)n2)CC1 ZINC000414336140 386130609 /nfs/dbraw/zinc/13/06/09/386130609.db2.gz VVPWEHCSEDMHQZ-UHFFFAOYSA-N 0 3 249.402 3.035 20 0 BGADHN CCC1CCC(CNCc2ccc(C)nn2)CC1 ZINC000414336217 386130774 /nfs/dbraw/zinc/13/07/74/386130774.db2.gz WHFLVILWLMSSSK-UHFFFAOYSA-N 0 3 247.386 3.091 20 0 BGADHN Cc1occc1CNCCCc1cccc(F)c1 ZINC000414341021 386133517 /nfs/dbraw/zinc/13/35/17/386133517.db2.gz HQUOCFFJCKCVJJ-UHFFFAOYSA-N 0 3 247.313 3.450 20 0 BGADHN C[C@@H](N[C@@H]1C[C@H]1c1ccco1)c1ccco1 ZINC000414343056 386132266 /nfs/dbraw/zinc/13/22/66/386132266.db2.gz QJMRXDPQRSODPZ-GMTAPVOTSA-N 0 3 217.268 3.079 20 0 BGADHN C[C@H](N[C@@H]1C[C@H]1c1ccco1)c1ccco1 ZINC000414343059 386133218 /nfs/dbraw/zinc/13/32/18/386133218.db2.gz QJMRXDPQRSODPZ-HBNTYKKESA-N 0 3 217.268 3.079 20 0 BGADHN C[C@@H](N[C@@H]1C[C@H]1c1ccco1)c1cccc(O)c1 ZINC000414344297 191493798 /nfs/dbraw/zinc/49/37/98/191493798.db2.gz RPJHNCRQLFXHAZ-LERXQTSPSA-N 0 3 243.306 3.192 20 0 BGADHN C[C@H](N[C@@H]1C[C@H]1c1ccco1)c1cccc(O)c1 ZINC000414344301 386134342 /nfs/dbraw/zinc/13/43/42/386134342.db2.gz RPJHNCRQLFXHAZ-ZLKJLUDKSA-N 0 3 243.306 3.192 20 0 BGADHN Cc1ccnc([C@H](C)N[C@@H]2C[C@H]2c2ccco2)c1 ZINC000414346688 386135967 /nfs/dbraw/zinc/13/59/67/386135967.db2.gz MNBUYWWMMDOPQV-OUCADQQQSA-N 0 3 242.322 3.190 20 0 BGADHN Cc1ccnc([C@@H](C)N[C@@H]2C[C@H]2c2ccco2)c1 ZINC000414346692 386134958 /nfs/dbraw/zinc/13/49/58/386134958.db2.gz MNBUYWWMMDOPQV-YRGRVCCFSA-N 0 3 242.322 3.190 20 0 BGADHN CCCC[C@H]1CCC[C@H]1NCc1ccc(C)nn1 ZINC000414347387 386135978 /nfs/dbraw/zinc/13/59/78/386135978.db2.gz WEXXYGSOQBXZNK-DZGCQCFKSA-N 0 3 247.386 3.234 20 0 BGADHN CCCC[C@@H]1CCC[C@@H]1NCc1ccc(C)nn1 ZINC000414347388 386136196 /nfs/dbraw/zinc/13/61/96/386136196.db2.gz WEXXYGSOQBXZNK-HIFRSBDPSA-N 0 3 247.386 3.234 20 0 BGADHN CCCC[C@@H]1CCC[C@H]1NCc1ccc(C)nn1 ZINC000414347390 386135097 /nfs/dbraw/zinc/13/50/97/386135097.db2.gz WEXXYGSOQBXZNK-UKRRQHHQSA-N 0 3 247.386 3.234 20 0 BGADHN CCCC[C@H]1CCC[C@@H]1NCc1ccc(C)nn1 ZINC000414347392 386136097 /nfs/dbraw/zinc/13/60/97/386136097.db2.gz WEXXYGSOQBXZNK-ZFWWWQNUSA-N 0 3 247.386 3.234 20 0 BGADHN Cc1cncc([C@H](C)N[C@@H]2C[C@H]2c2ccco2)c1 ZINC000414348438 386138776 /nfs/dbraw/zinc/13/87/76/386138776.db2.gz OIIGHGIXYVLSSP-IACUBPJLSA-N 0 3 242.322 3.190 20 0 BGADHN Cc1cncc([C@@H](C)N[C@@H]2C[C@H]2c2ccco2)c1 ZINC000414348439 386136906 /nfs/dbraw/zinc/13/69/06/386136906.db2.gz OIIGHGIXYVLSSP-MRVWCRGKSA-N 0 3 242.322 3.190 20 0 BGADHN C[C@H](N[C@@H]1C[C@H]1c1ccco1)c1ccccc1 ZINC000414350806 386152692 /nfs/dbraw/zinc/15/26/92/386152692.db2.gz ZMQQSRTZJBDXKG-IACUBPJLSA-N 0 3 227.307 3.486 20 0 BGADHN C[C@@H](N[C@@H]1C[C@H]1c1ccco1)c1ccccc1 ZINC000414350808 386152470 /nfs/dbraw/zinc/15/24/70/386152470.db2.gz ZMQQSRTZJBDXKG-MRVWCRGKSA-N 0 3 227.307 3.486 20 0 BGADHN Cc1ccncc1[C@H](C)N[C@@H]1C[C@H]1c1ccco1 ZINC000414351089 386151727 /nfs/dbraw/zinc/15/17/27/386151727.db2.gz RDCWZVJXAVNBBZ-OUCADQQQSA-N 0 3 242.322 3.190 20 0 BGADHN Cc1ccncc1[C@@H](C)N[C@@H]1C[C@H]1c1ccco1 ZINC000414351091 386151054 /nfs/dbraw/zinc/15/10/54/386151054.db2.gz RDCWZVJXAVNBBZ-YRGRVCCFSA-N 0 3 242.322 3.190 20 0 BGADHN CC[C@H](N[C@@H]1C[C@H]1c1ccco1)c1ccncc1 ZINC000414352419 386139366 /nfs/dbraw/zinc/13/93/66/386139366.db2.gz TZCDRNGVGCTUAV-HZSPNIEDSA-N 0 3 242.322 3.271 20 0 BGADHN CC[C@@H](N[C@@H]1C[C@H]1c1ccco1)c1ccncc1 ZINC000414352420 191497149 /nfs/dbraw/zinc/49/71/49/191497149.db2.gz TZCDRNGVGCTUAV-MGPQQGTHSA-N 0 3 242.322 3.271 20 0 BGADHN Cc1cc(CNC2CCC(C(C)C)CC2)nn1C ZINC000414355134 386143251 /nfs/dbraw/zinc/14/32/51/386143251.db2.gz AODDKVGFRDJAMC-UHFFFAOYSA-N 0 3 249.402 3.033 20 0 BGADHN c1coc([C@@H]2C[C@H]2N[C@H]2CCCc3occc32)c1 ZINC000414355233 386144207 /nfs/dbraw/zinc/14/42/07/386144207.db2.gz YNEULQTWEOZZEO-FRRDWIJNSA-N 0 3 243.306 3.396 20 0 BGADHN c1coc([C@@H]2C[C@H]2N[C@@H]2CCCc3occc32)c1 ZINC000414355234 386142845 /nfs/dbraw/zinc/14/28/45/386142845.db2.gz YNEULQTWEOZZEO-JHJVBQTASA-N 0 3 243.306 3.396 20 0 BGADHN CCCC(O)(CCC)CNCc1ccoc1C ZINC000414355366 386144042 /nfs/dbraw/zinc/14/40/42/386144042.db2.gz BRNTYRHEYWLUFB-UHFFFAOYSA-N 0 3 239.359 3.009 20 0 BGADHN Cc1occc1CN[C@H]1C[C@H]1Cc1ccccc1 ZINC000414358084 386145857 /nfs/dbraw/zinc/14/58/57/386145857.db2.gz KYWHJFCZCUJRIH-CVEARBPZSA-N 0 3 241.334 3.309 20 0 BGADHN Cc1occc1CN[C@H]1C[C@@H]1Cc1ccccc1 ZINC000414358085 191497609 /nfs/dbraw/zinc/49/76/09/191497609.db2.gz KYWHJFCZCUJRIH-HOTGVXAUSA-N 0 3 241.334 3.309 20 0 BGADHN Cc1occc1CN[C@@H]1C[C@H]1Cc1ccccc1 ZINC000414358086 386145195 /nfs/dbraw/zinc/14/51/95/386145195.db2.gz KYWHJFCZCUJRIH-HZPDHXFCSA-N 0 3 241.334 3.309 20 0 BGADHN Cc1occc1CN[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000414358087 386146669 /nfs/dbraw/zinc/14/66/69/386146669.db2.gz KYWHJFCZCUJRIH-JKSUJKDBSA-N 0 3 241.334 3.309 20 0 BGADHN CCCC[C@@H](CCC)NCc1ccc(C)nn1 ZINC000414358827 386145432 /nfs/dbraw/zinc/14/54/32/386145432.db2.gz CQWOIRDSSPROKD-CYBMUJFWSA-N 0 3 235.375 3.234 20 0 BGADHN CCCC[C@H](CCC)NCc1ccc(C)nn1 ZINC000414358829 386145931 /nfs/dbraw/zinc/14/59/31/386145931.db2.gz CQWOIRDSSPROKD-ZDUSSCGKSA-N 0 3 235.375 3.234 20 0 BGADHN Cc1cc(CNCC(C)(C)C2CCCC2)nn1C ZINC000414360371 351162517 /nfs/dbraw/zinc/16/25/17/351162517.db2.gz ACVUYBVUCPGXND-UHFFFAOYSA-N 0 3 249.402 3.035 20 0 BGADHN CCc1ncc(CN([C@H](C)C(C)C)C2CC2)cn1 ZINC000414360406 351162491 /nfs/dbraw/zinc/16/24/91/351162491.db2.gz AEQLUIRHHYHMTB-GFCCVEGCSA-N 0 3 247.386 3.048 20 0 BGADHN CCc1ncc(CN([C@@H](C)C(C)C)C2CC2)cn1 ZINC000414360407 351161985 /nfs/dbraw/zinc/16/19/85/351161985.db2.gz AEQLUIRHHYHMTB-LBPRGKRZSA-N 0 3 247.386 3.048 20 0 BGADHN Cc1cc(CNCCCCC2CCCC2)nn1C ZINC000414360519 351162588 /nfs/dbraw/zinc/16/25/88/351162588.db2.gz QUFMIHJKBSIRQJ-UHFFFAOYSA-N 0 3 249.402 3.179 20 0 BGADHN CCCC[C@H](CCC)CNCc1ccc(C)nn1 ZINC000414360724 491108075 /nfs/dbraw/zinc/10/80/75/491108075.db2.gz HGTQKPBBRYROCS-AWEZNQCLSA-N 0 3 249.402 3.481 20 0 BGADHN CCCC[C@@H](CCC)CNCc1ccc(C)nn1 ZINC000414360725 491108110 /nfs/dbraw/zinc/10/81/10/491108110.db2.gz HGTQKPBBRYROCS-CQSZACIVSA-N 0 3 249.402 3.481 20 0 BGADHN CCO[C@@H](CCNCc1ccoc1C)C(C)C ZINC000414361098 398220215 /nfs/dbraw/zinc/22/02/15/398220215.db2.gz HJAVFOAHTRWLKR-AWEZNQCLSA-N 0 3 239.359 3.129 20 0 BGADHN CCO[C@H](CCNCc1ccoc1C)C(C)C ZINC000414361100 398220189 /nfs/dbraw/zinc/22/01/89/398220189.db2.gz HJAVFOAHTRWLKR-CQSZACIVSA-N 0 3 239.359 3.129 20 0 BGADHN CCCCN(CCCC)Cc1cnc(CC)nc1 ZINC000414361449 398220145 /nfs/dbraw/zinc/22/01/45/398220145.db2.gz CLFLNGIINOEJDC-UHFFFAOYSA-N 0 3 249.402 3.441 20 0 BGADHN CCc1ncc(CN(CC)C2CCCCC2)cn1 ZINC000414361784 398220397 /nfs/dbraw/zinc/22/03/97/398220397.db2.gz CVVFUKZFPKXNBO-UHFFFAOYSA-N 0 3 247.386 3.194 20 0 BGADHN Cc1ccc(CNCCCCC2CCCC2)nn1 ZINC000414362266 398220127 /nfs/dbraw/zinc/22/01/27/398220127.db2.gz VFFIPBHCHJBLAP-UHFFFAOYSA-N 0 3 247.386 3.235 20 0 BGADHN CCc1ncc(CNCC(C)(C)CC(C)C)cn1 ZINC000414363483 398220942 /nfs/dbraw/zinc/22/09/42/398220942.db2.gz LRKPHBVQQUDKEK-UHFFFAOYSA-N 0 3 249.402 3.201 20 0 BGADHN Cc1cc(CNCC2CCC(C)(C)CC2)nn1C ZINC000414364736 191498927 /nfs/dbraw/zinc/49/89/27/191498927.db2.gz IZTCFGYSZGZXIW-UHFFFAOYSA-N 0 3 249.402 3.035 20 0 BGADHN Cc1noc(C)c1[C@H](C)CNCc1ccoc1C ZINC000414365566 386148814 /nfs/dbraw/zinc/14/88/14/386148814.db2.gz MFJHCGYQPNOHRD-SECBINFHSA-N 0 3 248.326 3.086 20 0 BGADHN Cc1noc(C)c1[C@@H](C)CNCc1ccoc1C ZINC000414365570 386149172 /nfs/dbraw/zinc/14/91/72/386149172.db2.gz MFJHCGYQPNOHRD-VIFPVBQESA-N 0 3 248.326 3.086 20 0 BGADHN CCc1ncc(CN(C)C2CCC(C)CC2)cn1 ZINC000414366080 386152214 /nfs/dbraw/zinc/15/22/14/386152214.db2.gz AVOZWEASZOXGSX-UHFFFAOYSA-N 0 3 247.386 3.050 20 0 BGADHN Cc1occc1CNCCCSCC(C)C ZINC000414366247 386150888 /nfs/dbraw/zinc/15/08/88/386150888.db2.gz NZCFAUWZFLMOHP-UHFFFAOYSA-N 0 3 241.400 3.457 20 0 BGADHN CCc1ncc(CN(C)C2CCCCCC2)cn1 ZINC000414366309 386151612 /nfs/dbraw/zinc/15/16/12/386151612.db2.gz BDNKGZQPKRHSBR-UHFFFAOYSA-N 0 3 247.386 3.194 20 0 BGADHN CCc1ncc(CN2CCC[C@H]2CC(C)C)cn1 ZINC000414366821 386160179 /nfs/dbraw/zinc/16/01/79/386160179.db2.gz CGAMIWUDPNEWCT-AWEZNQCLSA-N 0 3 247.386 3.050 20 0 BGADHN CCc1ncc(CN2CCC[C@@H]2CC(C)C)cn1 ZINC000414366822 386158807 /nfs/dbraw/zinc/15/88/07/386158807.db2.gz CGAMIWUDPNEWCT-CQSZACIVSA-N 0 3 247.386 3.050 20 0 BGADHN CCCCN(CCCC)Cc1ccc(C)nn1 ZINC000414367847 386153865 /nfs/dbraw/zinc/15/38/65/386153865.db2.gz QXMORIZNNCDJSX-UHFFFAOYSA-N 0 3 235.375 3.187 20 0 BGADHN CCCCCN(Cc1cnc(CC)nc1)C(C)C ZINC000414369010 386156091 /nfs/dbraw/zinc/15/60/91/386156091.db2.gz IJHVFUKGKZDPOT-UHFFFAOYSA-N 0 3 249.402 3.440 20 0 BGADHN CCC(CC)CN(CC)Cc1ccc(C)nn1 ZINC000414369453 386155489 /nfs/dbraw/zinc/15/54/89/386155489.db2.gz JHMOCCJRMSYXHN-UHFFFAOYSA-N 0 3 235.375 3.043 20 0 BGADHN CCc1ncc(CN(C)[C@@H]2CCC[C@H](C)C2)cn1 ZINC000414369881 386153780 /nfs/dbraw/zinc/15/37/80/386153780.db2.gz KEBCUHUHMCKKEL-GXTWGEPZSA-N 0 3 247.386 3.050 20 0 BGADHN CCc1ncc(CN(C)[C@H]2CCC[C@H](C)C2)cn1 ZINC000414369882 386154479 /nfs/dbraw/zinc/15/44/79/386154479.db2.gz KEBCUHUHMCKKEL-JSGCOSHPSA-N 0 3 247.386 3.050 20 0 BGADHN CCc1ncc(CN(C)[C@H]2CCC[C@@H](C)C2)cn1 ZINC000414369883 386154812 /nfs/dbraw/zinc/15/48/12/386154812.db2.gz KEBCUHUHMCKKEL-OCCSQVGLSA-N 0 3 247.386 3.050 20 0 BGADHN CCc1ncc(CN(C)[C@@H]2CCC[C@@H](C)C2)cn1 ZINC000414369884 386155342 /nfs/dbraw/zinc/15/53/42/386155342.db2.gz KEBCUHUHMCKKEL-TZMCWYRMSA-N 0 3 247.386 3.050 20 0 BGADHN CCC1CCC(N(C)Cc2ccc(C)nn2)CC1 ZINC000414369898 386154114 /nfs/dbraw/zinc/15/41/14/386154114.db2.gz KHLIEIVGIDBTDV-UHFFFAOYSA-N 0 3 247.386 3.186 20 0 BGADHN CCCC[C@@H](CCC)NCc1cc(C)n(C)n1 ZINC000414370162 386157082 /nfs/dbraw/zinc/15/70/82/386157082.db2.gz VHAAUEKBRNGSHR-CYBMUJFWSA-N 0 3 237.391 3.177 20 0 BGADHN CCCC[C@H](CCC)NCc1cc(C)n(C)n1 ZINC000414370165 386156931 /nfs/dbraw/zinc/15/69/31/386156931.db2.gz VHAAUEKBRNGSHR-ZDUSSCGKSA-N 0 3 237.391 3.177 20 0 BGADHN Cc1occc1CN1CCCC(C)(C)C1 ZINC000414370249 386156788 /nfs/dbraw/zinc/15/67/88/386156788.db2.gz KLVFFHHTKUZUHE-UHFFFAOYSA-N 0 3 207.317 3.210 20 0 BGADHN CCCCN(Cc1ccoc1C)C1CC1 ZINC000414370403 386158056 /nfs/dbraw/zinc/15/80/56/386158056.db2.gz LGQGJUOBVMDNMS-UHFFFAOYSA-N 0 3 207.317 3.353 20 0 BGADHN Cc1ccc(CN(C)CCC2CCCCC2)nn1 ZINC000414370749 386167640 /nfs/dbraw/zinc/16/76/40/386167640.db2.gz HEZMFGNIZPWXCU-UHFFFAOYSA-N 0 3 247.386 3.187 20 0 BGADHN Cc1ccc(CNCC(C)(C)C2CCCC2)nn1 ZINC000414371036 398222350 /nfs/dbraw/zinc/22/23/50/398222350.db2.gz XUIKQAADYBJOMI-UHFFFAOYSA-N 0 3 247.386 3.091 20 0 BGADHN CCc1ncc(CN(C)CC2CCCCC2)cn1 ZINC000414373414 386176503 /nfs/dbraw/zinc/17/65/03/386176503.db2.gz RZPMLWGDJDHGEO-UHFFFAOYSA-N 0 3 247.386 3.051 20 0 BGADHN CCc1ncc(CN(CCC(C)C)C2CC2)cn1 ZINC000414373829 487808820 /nfs/dbraw/zinc/80/88/20/487808820.db2.gz UFFPPHWPFRNTPA-UHFFFAOYSA-N 0 3 247.386 3.050 20 0 BGADHN CCC(CC)N(CCOC)Cc1ccoc1C ZINC000414374612 386184910 /nfs/dbraw/zinc/18/49/10/386184910.db2.gz VEPIEUYTNNFMLJ-UHFFFAOYSA-N 0 3 239.359 3.225 20 0 BGADHN Cc1occc1CN(CC(C)C)C1CC1 ZINC000414374618 386185676 /nfs/dbraw/zinc/18/56/76/386185676.db2.gz VHPAUNOMFIXJEC-UHFFFAOYSA-N 0 3 207.317 3.208 20 0 BGADHN CCCCCN(Cc1ccc(C)nn1)C(C)C ZINC000414374740 386186590 /nfs/dbraw/zinc/18/65/90/386186590.db2.gz WCUAJJBODOMCEB-UHFFFAOYSA-N 0 3 235.375 3.186 20 0 BGADHN CCc1ncc(CN(CC)CC(CC)CC)cn1 ZINC000414374793 386191548 /nfs/dbraw/zinc/19/15/48/386191548.db2.gz WJRZCQYADGYIJT-UHFFFAOYSA-N 0 3 249.402 3.297 20 0 BGADHN Cc1occc1CN1CCC[C@H]1c1cccn1C ZINC000414375062 386193046 /nfs/dbraw/zinc/19/30/46/386193046.db2.gz XOPQYJGTMLPYQO-HNNXBMFYSA-N 0 3 244.338 3.264 20 0 BGADHN Cc1occc1CN1CCC[C@@H]1c1cccn1C ZINC000414375063 386194168 /nfs/dbraw/zinc/19/41/68/386194168.db2.gz XOPQYJGTMLPYQO-OAHLLOKOSA-N 0 3 244.338 3.264 20 0 BGADHN CCc1ncc(CN2CCC(C)(CC)CC2)cn1 ZINC000414375345 386188121 /nfs/dbraw/zinc/18/81/21/386188121.db2.gz RGNYKJOJUIADIC-UHFFFAOYSA-N 0 3 247.386 3.051 20 0 BGADHN CCC1CCN(Cc2ccoc2C)CC1 ZINC000414375838 191501929 /nfs/dbraw/zinc/50/19/29/191501929.db2.gz YGHGQTYRTJXBTA-UHFFFAOYSA-N 0 3 207.317 3.210 20 0 BGADHN Cc1cc(CNCC2(CC(C)C)CCC2)nn1C ZINC000414377820 397915640 /nfs/dbraw/zinc/91/56/40/397915640.db2.gz JUJRCSIZYUWHPS-UHFFFAOYSA-N 0 3 249.402 3.035 20 0 BGADHN CCC(CC)(CC)CNCc1cc(C)n(C)n1 ZINC000414377891 397916470 /nfs/dbraw/zinc/91/64/70/397916470.db2.gz KHGBYQJSXNAYQE-UHFFFAOYSA-N 0 3 237.391 3.035 20 0 BGADHN Cc1ccc(CNCC2(CC(C)C)CCC2)nn1 ZINC000414379531 386218552 /nfs/dbraw/zinc/21/85/52/386218552.db2.gz MSGVCXOQKUNCEF-UHFFFAOYSA-N 0 3 247.386 3.091 20 0 BGADHN CC[C@H](C)[C@H](C)N(Cc1ccc(C)nn1)C1CC1 ZINC000414381101 397918147 /nfs/dbraw/zinc/91/81/47/397918147.db2.gz HVHWAJXMGLTOGY-AAEUAGOBSA-N 0 3 247.386 3.184 20 0 BGADHN CC[C@@H](C)[C@@H](C)N(Cc1ccc(C)nn1)C1CC1 ZINC000414381102 397917895 /nfs/dbraw/zinc/91/78/95/397917895.db2.gz HVHWAJXMGLTOGY-DGCLKSJQSA-N 0 3 247.386 3.184 20 0 BGADHN CC[C@H](C)[C@@H](C)N(Cc1ccc(C)nn1)C1CC1 ZINC000414381104 397917810 /nfs/dbraw/zinc/91/78/10/397917810.db2.gz HVHWAJXMGLTOGY-WCQYABFASA-N 0 3 247.386 3.184 20 0 BGADHN CC[C@@H](C)[C@H](C)N(Cc1ccc(C)nn1)C1CC1 ZINC000414381106 397918106 /nfs/dbraw/zinc/91/81/06/397918106.db2.gz HVHWAJXMGLTOGY-YPMHNXCESA-N 0 3 247.386 3.184 20 0 BGADHN CCCC1(CNCc2cnc(CC)nc2)CCC1 ZINC000414383533 386231490 /nfs/dbraw/zinc/23/14/90/386231490.db2.gz UEQSPFDMOAOEPR-UHFFFAOYSA-N 0 3 247.386 3.099 20 0 BGADHN CCc1ncc(CN2CCC[C@@H]2C(C)(C)C)cn1 ZINC000414386985 386246198 /nfs/dbraw/zinc/24/61/98/386246198.db2.gz YATXSVYOFZKMFC-CYBMUJFWSA-N 0 3 247.386 3.050 20 0 BGADHN CCc1ncc(CN2CCC[C@H]2C(C)(C)C)cn1 ZINC000414386987 386247155 /nfs/dbraw/zinc/24/71/55/386247155.db2.gz YATXSVYOFZKMFC-ZDUSSCGKSA-N 0 3 247.386 3.050 20 0 BGADHN Cc1occc1CN1CCC(C)(C)CC1 ZINC000414388044 191503832 /nfs/dbraw/zinc/50/38/32/191503832.db2.gz ZWXBIOITXOWKKK-UHFFFAOYSA-N 0 3 207.317 3.210 20 0 BGADHN CCc1ncc(CN2CCC(CC)(CC)C2)cn1 ZINC000414389029 386249428 /nfs/dbraw/zinc/24/94/28/386249428.db2.gz OJHPFLJZSZDOHS-UHFFFAOYSA-N 0 3 247.386 3.051 20 0 BGADHN Cc1ccc(CNCC[C@H]2CCC[C@H](C)C2)nn1 ZINC000414389606 386245855 /nfs/dbraw/zinc/24/58/55/386245855.db2.gz GGHZZXLWFMOOAY-GXTWGEPZSA-N 0 3 247.386 3.091 20 0 BGADHN Cc1ccc(CNCC[C@@H]2CCC[C@H](C)C2)nn1 ZINC000414389609 386246752 /nfs/dbraw/zinc/24/67/52/386246752.db2.gz GGHZZXLWFMOOAY-JSGCOSHPSA-N 0 3 247.386 3.091 20 0 BGADHN Cc1ccc(CNCC[C@@H]2CCC[C@@H](C)C2)nn1 ZINC000414389613 386245743 /nfs/dbraw/zinc/24/57/43/386245743.db2.gz GGHZZXLWFMOOAY-OCCSQVGLSA-N 0 3 247.386 3.091 20 0 BGADHN Cc1ccc(CNCC[C@H]2CCC[C@@H](C)C2)nn1 ZINC000414389617 386246963 /nfs/dbraw/zinc/24/69/63/386246963.db2.gz GGHZZXLWFMOOAY-TZMCWYRMSA-N 0 3 247.386 3.091 20 0 BGADHN Cc1cc(CNCC[C@H]2CCCC[C@@H]2C)nn1C ZINC000414389676 386247184 /nfs/dbraw/zinc/24/71/84/386247184.db2.gz GTQUOFBOILBBTG-GXTWGEPZSA-N 0 3 249.402 3.035 20 0 BGADHN Cc1cc(CNCC[C@@H]2CCCC[C@@H]2C)nn1C ZINC000414389677 386245912 /nfs/dbraw/zinc/24/59/12/386245912.db2.gz GTQUOFBOILBBTG-JSGCOSHPSA-N 0 3 249.402 3.035 20 0 BGADHN Cc1cc(CNCC[C@@H]2CCCC[C@H]2C)nn1C ZINC000414389678 386245759 /nfs/dbraw/zinc/24/57/59/386245759.db2.gz GTQUOFBOILBBTG-OCCSQVGLSA-N 0 3 249.402 3.035 20 0 BGADHN Cc1cc(CNCC[C@H]2CCCC[C@H]2C)nn1C ZINC000414389679 386245436 /nfs/dbraw/zinc/24/54/36/386245436.db2.gz GTQUOFBOILBBTG-TZMCWYRMSA-N 0 3 249.402 3.035 20 0 BGADHN Cc1ccc(CNCC[C@H]2CCCC[C@@H]2C)nn1 ZINC000414390616 386256598 /nfs/dbraw/zinc/25/65/98/386256598.db2.gz JIKXMOMQDDMUGM-GXTWGEPZSA-N 0 3 247.386 3.091 20 0 BGADHN Cc1ccc(CNCC[C@@H]2CCCC[C@@H]2C)nn1 ZINC000414390617 386256586 /nfs/dbraw/zinc/25/65/86/386256586.db2.gz JIKXMOMQDDMUGM-JSGCOSHPSA-N 0 3 247.386 3.091 20 0 BGADHN Cc1ccc(CNCC[C@@H]2CCCC[C@H]2C)nn1 ZINC000414390619 191505332 /nfs/dbraw/zinc/50/53/32/191505332.db2.gz JIKXMOMQDDMUGM-OCCSQVGLSA-N 0 3 247.386 3.091 20 0 BGADHN Cc1ccc(CNCC[C@H]2CCCC[C@H]2C)nn1 ZINC000414390620 386256562 /nfs/dbraw/zinc/25/65/62/386256562.db2.gz JIKXMOMQDDMUGM-TZMCWYRMSA-N 0 3 247.386 3.091 20 0 BGADHN CCc1ncc(CN2C[C@H](C)CCC[C@H]2C)cn1 ZINC000414392024 191504341 /nfs/dbraw/zinc/50/43/41/191504341.db2.gz FFJKALBGORCWJA-CHWSQXEVSA-N 0 3 247.386 3.050 20 0 BGADHN CCc1ncc(CN2C[C@H](C)CCC[C@@H]2C)cn1 ZINC000414392025 386264732 /nfs/dbraw/zinc/26/47/32/386264732.db2.gz FFJKALBGORCWJA-OLZOCXBDSA-N 0 3 247.386 3.050 20 0 BGADHN CCc1ncc(CN2C[C@@H](C)CCC[C@H]2C)cn1 ZINC000414392026 386264655 /nfs/dbraw/zinc/26/46/55/386264655.db2.gz FFJKALBGORCWJA-QWHCGFSZSA-N 0 3 247.386 3.050 20 0 BGADHN CCc1ncc(CN2C[C@@H](C)CCC[C@@H]2C)cn1 ZINC000414392027 191505080 /nfs/dbraw/zinc/50/50/80/191505080.db2.gz FFJKALBGORCWJA-STQMWFEESA-N 0 3 247.386 3.050 20 0 BGADHN CCc1ncc(CN2CCCC(C)(C)CC2)cn1 ZINC000414392156 386263591 /nfs/dbraw/zinc/26/35/91/386263591.db2.gz CYAZIHIUAHJEOX-UHFFFAOYSA-N 0 3 247.386 3.051 20 0 BGADHN Cc1cc(CNCC[C@H]2CCC[C@H](C)C2)nn1C ZINC000414392595 397925624 /nfs/dbraw/zinc/92/56/24/397925624.db2.gz MYWWBAKXGNMCOH-GXTWGEPZSA-N 0 3 249.402 3.035 20 0 BGADHN Cc1cc(CNCC[C@@H]2CCC[C@H](C)C2)nn1C ZINC000414392596 397925662 /nfs/dbraw/zinc/92/56/62/397925662.db2.gz MYWWBAKXGNMCOH-JSGCOSHPSA-N 0 3 249.402 3.035 20 0 BGADHN Cc1cc(CNCC[C@@H]2CCC[C@@H](C)C2)nn1C ZINC000414392597 397925761 /nfs/dbraw/zinc/92/57/61/397925761.db2.gz MYWWBAKXGNMCOH-OCCSQVGLSA-N 0 3 249.402 3.035 20 0 BGADHN Cc1cc(CNCC[C@H]2CCC[C@@H](C)C2)nn1C ZINC000414392598 397925616 /nfs/dbraw/zinc/92/56/16/397925616.db2.gz MYWWBAKXGNMCOH-TZMCWYRMSA-N 0 3 249.402 3.035 20 0 BGADHN Cc1occc1CNC[C@@H](C)Oc1ccccc1 ZINC000414393015 191504951 /nfs/dbraw/zinc/50/49/51/191504951.db2.gz NBBDTPYUBLSPDD-GFCCVEGCSA-N 0 3 245.322 3.145 20 0 BGADHN Cc1occc1CNC[C@H](C)Oc1ccccc1 ZINC000414393016 191504480 /nfs/dbraw/zinc/50/44/80/191504480.db2.gz NBBDTPYUBLSPDD-LBPRGKRZSA-N 0 3 245.322 3.145 20 0 BGADHN Cc1ccc(CN2CCCC[C@H]2CC(C)C)nn1 ZINC000414393365 386279357 /nfs/dbraw/zinc/27/93/57/386279357.db2.gz GHKCBEXKVGRWDK-HNNXBMFYSA-N 0 3 247.386 3.186 20 0 BGADHN Cc1ccc(CN2CCCC[C@@H]2CC(C)C)nn1 ZINC000414393367 386277763 /nfs/dbraw/zinc/27/77/63/386277763.db2.gz GHKCBEXKVGRWDK-OAHLLOKOSA-N 0 3 247.386 3.186 20 0 BGADHN Cc1cc(CN[C@H](C)CCC(C)(C)C)nn1C ZINC000414393692 397926465 /nfs/dbraw/zinc/92/64/65/397926465.db2.gz OJRIONABSABBLX-LLVKDONJSA-N 0 3 237.391 3.033 20 0 BGADHN Cc1cc(CN[C@@H](C)CCC(C)(C)C)nn1C ZINC000414393694 397927325 /nfs/dbraw/zinc/92/73/25/397927325.db2.gz OJRIONABSABBLX-NSHDSACASA-N 0 3 237.391 3.033 20 0 BGADHN CCc1ncc(CN2CCC[C@](C)(CC)C2)cn1 ZINC000414394075 386274330 /nfs/dbraw/zinc/27/43/30/386274330.db2.gz JWZVZAGFLURYPN-HNNXBMFYSA-N 0 3 247.386 3.051 20 0 BGADHN CCc1ncc(CN2CCC[C@@](C)(CC)C2)cn1 ZINC000414394076 386276101 /nfs/dbraw/zinc/27/61/01/386276101.db2.gz JWZVZAGFLURYPN-OAHLLOKOSA-N 0 3 247.386 3.051 20 0 BGADHN Cc1ccc(CN2CCC[C@@H](CC(C)C)C2)nn1 ZINC000414394186 386275826 /nfs/dbraw/zinc/27/58/26/386275826.db2.gz FFQIARAVEVPCBA-AWEZNQCLSA-N 0 3 247.386 3.043 20 0 BGADHN Cc1ccc(CN2CCC[C@H](CC(C)C)C2)nn1 ZINC000414394187 386276009 /nfs/dbraw/zinc/27/60/09/386276009.db2.gz FFQIARAVEVPCBA-CQSZACIVSA-N 0 3 247.386 3.043 20 0 BGADHN CC[C@@H](C)[C@@H]1CCCCN1Cc1ccc(C)nn1 ZINC000414394886 386280789 /nfs/dbraw/zinc/28/07/89/386280789.db2.gz JBDHRCHRSRFVDA-DOMZBBRYSA-N 0 3 247.386 3.186 20 0 BGADHN CC[C@@H](C)[C@H]1CCCCN1Cc1ccc(C)nn1 ZINC000414394887 386282204 /nfs/dbraw/zinc/28/22/04/386282204.db2.gz JBDHRCHRSRFVDA-IUODEOHRSA-N 0 3 247.386 3.186 20 0 BGADHN CC[C@H](C)[C@H]1CCCCN1Cc1ccc(C)nn1 ZINC000414394888 386283136 /nfs/dbraw/zinc/28/31/36/386283136.db2.gz JBDHRCHRSRFVDA-SWLSCSKDSA-N 0 3 247.386 3.186 20 0 BGADHN CC[C@H](C)[C@@H]1CCCCN1Cc1ccc(C)nn1 ZINC000414394890 386281140 /nfs/dbraw/zinc/28/11/40/386281140.db2.gz JBDHRCHRSRFVDA-WFASDCNBSA-N 0 3 247.386 3.186 20 0 BGADHN Cc1occc1CNCCc1ccc(C)cc1 ZINC000414397236 397929677 /nfs/dbraw/zinc/92/96/77/397929677.db2.gz TWMIXPYJTCFOGA-UHFFFAOYSA-N 0 3 229.323 3.229 20 0 BGADHN CCc1ncc(CN[C@H](C)CCC(C)(C)C)cn1 ZINC000414397262 397929561 /nfs/dbraw/zinc/92/95/61/397929561.db2.gz UAZOAMLJDHMBIB-GFCCVEGCSA-N 0 3 249.402 3.343 20 0 BGADHN CCc1ncc(CN[C@@H](C)CCC(C)(C)C)cn1 ZINC000414397263 191505713 /nfs/dbraw/zinc/50/57/13/191505713.db2.gz UAZOAMLJDHMBIB-LBPRGKRZSA-N 0 3 249.402 3.343 20 0 BGADHN CSCC[C@H](C)N(C)Cc1ccoc1C ZINC000414397374 397929799 /nfs/dbraw/zinc/92/97/99/397929799.db2.gz OVZNKOFDZCFCMX-JTQLQIEISA-N 0 3 227.373 3.161 20 0 BGADHN CSCC[C@@H](C)N(C)Cc1ccoc1C ZINC000414397376 397929649 /nfs/dbraw/zinc/92/96/49/397929649.db2.gz OVZNKOFDZCFCMX-SNVBAGLBSA-N 0 3 227.373 3.161 20 0 BGADHN CCc1ncc(CN2CCCC[C@H]2C(C)C)cn1 ZINC000414397579 386286577 /nfs/dbraw/zinc/28/65/77/386286577.db2.gz RYNCWQDDYHKZAV-AWEZNQCLSA-N 0 3 247.386 3.050 20 0 BGADHN CCc1ncc(CN2CCCC[C@@H]2C(C)C)cn1 ZINC000414397580 259432160 /nfs/dbraw/zinc/43/21/60/259432160.db2.gz RYNCWQDDYHKZAV-CQSZACIVSA-N 0 3 247.386 3.050 20 0 BGADHN CCC[C@@]1(C)CCCN(Cc2ccc(C)nn2)C1 ZINC000414400214 200749545 /nfs/dbraw/zinc/74/95/45/200749545.db2.gz WIQMPKQULQNDCG-HNNXBMFYSA-N 0 3 247.386 3.187 20 0 BGADHN CCC[C@]1(C)CCCN(Cc2ccc(C)nn2)C1 ZINC000414400217 200749992 /nfs/dbraw/zinc/74/99/92/200749992.db2.gz WIQMPKQULQNDCG-OAHLLOKOSA-N 0 3 247.386 3.187 20 0 BGADHN Cc1occc1CNCCCNc1ccccc1 ZINC000414401418 386300365 /nfs/dbraw/zinc/30/03/65/386300365.db2.gz ZAZIVLUTYKPJTL-UHFFFAOYSA-N 0 3 244.338 3.180 20 0 BGADHN CCc1ncc(CN2CCC[C@@H](CC)CC2)cn1 ZINC000414401459 386299812 /nfs/dbraw/zinc/29/98/12/386299812.db2.gz YCTWNWUOVMDGDH-CYBMUJFWSA-N 0 3 247.386 3.051 20 0 BGADHN CCc1ncc(CN2CCC[C@H](CC)CC2)cn1 ZINC000414401460 386300162 /nfs/dbraw/zinc/30/01/62/386300162.db2.gz YCTWNWUOVMDGDH-ZDUSSCGKSA-N 0 3 247.386 3.051 20 0 BGADHN CCc1ncc(CN2CCCCC[C@@H]2CC)cn1 ZINC000414402514 386309608 /nfs/dbraw/zinc/30/96/08/386309608.db2.gz ZWUUBOAMXTVWER-AWEZNQCLSA-N 0 3 247.386 3.194 20 0 BGADHN CCc1ncc(CN2CCCCC[C@H]2CC)cn1 ZINC000414402516 386310961 /nfs/dbraw/zinc/31/09/61/386310961.db2.gz ZWUUBOAMXTVWER-CQSZACIVSA-N 0 3 247.386 3.194 20 0 BGADHN Cc1ccc(CN2CCC[C@H]2CCC(C)C)nn1 ZINC000414403515 386308098 /nfs/dbraw/zinc/30/80/98/386308098.db2.gz GSKULSNEKLHLEI-HNNXBMFYSA-N 0 3 247.386 3.186 20 0 BGADHN Cc1ccc(CN2CCC[C@@H]2CCC(C)C)nn1 ZINC000414403516 386307503 /nfs/dbraw/zinc/30/75/03/386307503.db2.gz GSKULSNEKLHLEI-OAHLLOKOSA-N 0 3 247.386 3.186 20 0 BGADHN Cc1occc1CN1CC[C@H]1Cc1ccccc1 ZINC000414404208 386316296 /nfs/dbraw/zinc/31/62/96/386316296.db2.gz HPBLDVBLMNXHNN-INIZCTEOSA-N 0 3 241.334 3.405 20 0 BGADHN Cc1occc1CN1CC[C@@H]1Cc1ccccc1 ZINC000414404209 386315698 /nfs/dbraw/zinc/31/56/98/386315698.db2.gz HPBLDVBLMNXHNN-MRXNPFEDSA-N 0 3 241.334 3.405 20 0 BGADHN CCC[C@H]1[C@H](C)CCCN1Cc1ccc(C)nn1 ZINC000414407866 386321624 /nfs/dbraw/zinc/32/16/24/386321624.db2.gz KVCDCUIZTCZGOV-DOMZBBRYSA-N 0 3 247.386 3.186 20 0 BGADHN CCC[C@@H]1[C@H](C)CCCN1Cc1ccc(C)nn1 ZINC000414407867 386320430 /nfs/dbraw/zinc/32/04/30/386320430.db2.gz KVCDCUIZTCZGOV-IUODEOHRSA-N 0 3 247.386 3.186 20 0 BGADHN CCC[C@@H]1[C@@H](C)CCCN1Cc1ccc(C)nn1 ZINC000414407869 386322806 /nfs/dbraw/zinc/32/28/06/386322806.db2.gz KVCDCUIZTCZGOV-SWLSCSKDSA-N 0 3 247.386 3.186 20 0 BGADHN CCC[C@H]1[C@@H](C)CCCN1Cc1ccc(C)nn1 ZINC000414407871 386321551 /nfs/dbraw/zinc/32/15/51/386321551.db2.gz KVCDCUIZTCZGOV-WFASDCNBSA-N 0 3 247.386 3.186 20 0 BGADHN CCC[C@@H]1CCCN(Cc2cnc(CC)nc2)C1 ZINC000414410029 386337605 /nfs/dbraw/zinc/33/76/05/386337605.db2.gz OAOWKIMHQUXHCF-CYBMUJFWSA-N 0 3 247.386 3.051 20 0 BGADHN CCC[C@H]1CCCN(Cc2cnc(CC)nc2)C1 ZINC000414410030 386339654 /nfs/dbraw/zinc/33/96/54/386339654.db2.gz OAOWKIMHQUXHCF-ZDUSSCGKSA-N 0 3 247.386 3.051 20 0 BGADHN CS[C@@H]1CCCCN(Cc2ccoc2C)C1 ZINC000414410627 386334802 /nfs/dbraw/zinc/33/48/02/386334802.db2.gz OYEPLBPNKPQRHN-CYBMUJFWSA-N 0 3 239.384 3.306 20 0 BGADHN CS[C@H]1CCCCN(Cc2ccoc2C)C1 ZINC000414410628 386335267 /nfs/dbraw/zinc/33/52/67/386335267.db2.gz OYEPLBPNKPQRHN-ZDUSSCGKSA-N 0 3 239.384 3.306 20 0 BGADHN CCC(C)(C)[C@@H]1CCCN1Cc1ccc(C)nn1 ZINC000414413821 411417208 /nfs/dbraw/zinc/41/72/08/411417208.db2.gz SPNCMWHGOANUAP-AWEZNQCLSA-N 0 3 247.386 3.186 20 0 BGADHN CCC(C)(C)[C@H]1CCCN1Cc1ccc(C)nn1 ZINC000414413822 411416474 /nfs/dbraw/zinc/41/64/74/411416474.db2.gz SPNCMWHGOANUAP-CQSZACIVSA-N 0 3 247.386 3.186 20 0 BGADHN CCCCC[C@H]1CCCN1Cc1ccc(C)nn1 ZINC000414415572 386354873 /nfs/dbraw/zinc/35/48/73/386354873.db2.gz UXNUDRGJEMNSPK-HNNXBMFYSA-N 0 3 247.386 3.330 20 0 BGADHN CCCCC[C@@H]1CCCN1Cc1ccc(C)nn1 ZINC000414415573 386354984 /nfs/dbraw/zinc/35/49/84/386354984.db2.gz UXNUDRGJEMNSPK-OAHLLOKOSA-N 0 3 247.386 3.330 20 0 BGADHN Cc1occc1CN1CCS[C@@H](C(C)C)C1 ZINC000414419561 386371182 /nfs/dbraw/zinc/37/11/82/386371182.db2.gz ZZDMNPPPNZTYHL-CYBMUJFWSA-N 0 3 239.384 3.161 20 0 BGADHN Cc1occc1CN1CCS[C@H](C(C)C)C1 ZINC000414419562 386371246 /nfs/dbraw/zinc/37/12/46/386371246.db2.gz ZZDMNPPPNZTYHL-ZDUSSCGKSA-N 0 3 239.384 3.161 20 0 BGADHN CS[C@H](CNCc1ccoc1C)C(C)(C)C ZINC000414426990 386399629 /nfs/dbraw/zinc/39/96/29/386399629.db2.gz DMOXAFKARXBUHB-GFCCVEGCSA-N 0 3 241.400 3.455 20 0 BGADHN CS[C@@H](CNCc1ccoc1C)C(C)(C)C ZINC000414426992 386401259 /nfs/dbraw/zinc/40/12/59/386401259.db2.gz DMOXAFKARXBUHB-LBPRGKRZSA-N 0 3 241.400 3.455 20 0 BGADHN CCc1ncc(CN(CC2CCC2)C(C)C)cn1 ZINC000414430254 386425833 /nfs/dbraw/zinc/42/58/33/386425833.db2.gz DNSJLSAIUDGWDZ-UHFFFAOYSA-N 0 3 247.386 3.050 20 0 BGADHN Cc1ccc(CNCC[C@@H](C)CC(C)(C)C)nn1 ZINC000414430286 386426390 /nfs/dbraw/zinc/42/63/90/386426390.db2.gz FMNYUJRPGNONLQ-GFCCVEGCSA-N 0 3 249.402 3.337 20 0 BGADHN Cc1ccc(CNCC[C@H](C)CC(C)(C)C)nn1 ZINC000414430288 386426328 /nfs/dbraw/zinc/42/63/28/386426328.db2.gz FMNYUJRPGNONLQ-LBPRGKRZSA-N 0 3 249.402 3.337 20 0 BGADHN Cc1occc1CN1CC[C@@H](CC(F)(F)F)C1 ZINC000414430410 386426498 /nfs/dbraw/zinc/42/64/98/386426498.db2.gz FVSUYZVPVZKZAU-JTQLQIEISA-N 0 3 247.260 3.362 20 0 BGADHN Cc1occc1CN1CC[C@H](CC(F)(F)F)C1 ZINC000414430411 386426109 /nfs/dbraw/zinc/42/61/09/386426109.db2.gz FVSUYZVPVZKZAU-SNVBAGLBSA-N 0 3 247.260 3.362 20 0 BGADHN CCN(CCC1CC1)Cc1ccoc1C ZINC000414432191 386431284 /nfs/dbraw/zinc/43/12/84/386431284.db2.gz MDSUSUDPAWESHL-UHFFFAOYSA-N 0 3 207.317 3.210 20 0 BGADHN CC[C@@H](CC(F)(F)F)NCc1ccoc1C ZINC000414433888 386437275 /nfs/dbraw/zinc/43/72/75/386437275.db2.gz PCNUBYIATOFLGD-JTQLQIEISA-N 0 3 235.249 3.409 20 0 BGADHN CC[C@H](CC(F)(F)F)NCc1ccoc1C ZINC000414433892 386435729 /nfs/dbraw/zinc/43/57/29/386435729.db2.gz PCNUBYIATOFLGD-SNVBAGLBSA-N 0 3 235.249 3.409 20 0 BGADHN Cc1ccc(CN2CC(C)(C)CC(C)(C)C2)nn1 ZINC000414434127 386437615 /nfs/dbraw/zinc/43/76/15/386437615.db2.gz PDOWURYPOBGUHX-UHFFFAOYSA-N 0 3 247.386 3.043 20 0 BGADHN Cc1occc1CN1CCC=C(c2ccco2)C1 ZINC000414434197 386435773 /nfs/dbraw/zinc/43/57/73/386435773.db2.gz CSMMNOKYXMYJFJ-UHFFFAOYSA-N 0 3 243.306 3.470 20 0 BGADHN Cc1ccc(CNCCC2=CCCCCC2)nn1 ZINC000414434208 386440531 /nfs/dbraw/zinc/44/05/31/386440531.db2.gz PMWRCLHKXZNCDK-UHFFFAOYSA-N 0 3 245.370 3.155 20 0 BGADHN Cc1cc(CNCC2(C)CCCCCC2)nn1C ZINC000414434496 386449646 /nfs/dbraw/zinc/44/96/46/386449646.db2.gz QXJTVNPVUKFADW-UHFFFAOYSA-N 0 3 249.402 3.179 20 0 BGADHN CCC1(CNCc2cc(C)n(C)n2)CCCCC1 ZINC000414435205 386447433 /nfs/dbraw/zinc/44/74/33/386447433.db2.gz QQJMFTWEEPREBT-UHFFFAOYSA-N 0 3 249.402 3.179 20 0 BGADHN COCC(C)(C)CCCNCc1ccoc1C ZINC000414436510 386454408 /nfs/dbraw/zinc/45/44/08/386454408.db2.gz APQYJNPPVANDLK-UHFFFAOYSA-N 0 3 239.359 3.130 20 0 BGADHN CCc1ncc(CN2CCCCC(C)(C)C2)cn1 ZINC000414436584 386457949 /nfs/dbraw/zinc/45/79/49/386457949.db2.gz OSLRKSVAMFBYRK-UHFFFAOYSA-N 0 3 247.386 3.051 20 0 BGADHN CCC1(CC)CCN(Cc2ccc(C)nn2)CC1 ZINC000414436972 386458206 /nfs/dbraw/zinc/45/82/06/386458206.db2.gz TTYLEWFTJGXGCC-UHFFFAOYSA-N 0 3 247.386 3.187 20 0 BGADHN Cc1occc1CNCC1(C(F)(F)F)CC1 ZINC000414437313 386456006 /nfs/dbraw/zinc/45/60/06/386456006.db2.gz HTJMSSYHFWWZQW-UHFFFAOYSA-N 0 3 233.233 3.020 20 0 BGADHN CCC[C@H]1CCCCN1Cc1cnc(CC)nc1 ZINC000414437647 386458478 /nfs/dbraw/zinc/45/84/78/386458478.db2.gz UIZAXVDLOJXOQJ-AWEZNQCLSA-N 0 3 247.386 3.194 20 0 BGADHN CCC[C@@H]1CCCCN1Cc1cnc(CC)nc1 ZINC000414437649 386457128 /nfs/dbraw/zinc/45/71/28/386457128.db2.gz UIZAXVDLOJXOQJ-CQSZACIVSA-N 0 3 247.386 3.194 20 0 BGADHN Cc1occc1CNC1CC(C(F)(F)F)C1 ZINC000414438491 386460122 /nfs/dbraw/zinc/46/01/22/386460122.db2.gz DKLLAMHJNVFONK-UHFFFAOYSA-N 0 3 233.233 3.019 20 0 BGADHN Cc1cc(CNCCC2=CCCCCC2)nn1C ZINC000414439726 386470781 /nfs/dbraw/zinc/47/07/81/386470781.db2.gz XPRGFXDZDAEVEW-UHFFFAOYSA-N 0 3 247.386 3.099 20 0 BGADHN CCC1(CNCc2ccc(C)nn2)CCCCC1 ZINC000414441066 386472317 /nfs/dbraw/zinc/47/23/17/386472317.db2.gz ZKTWZRMCQLWDBH-UHFFFAOYSA-N 0 3 247.386 3.235 20 0 BGADHN Cc1occc1CNC1(Cc2ccccc2)CC1 ZINC000414441070 386472444 /nfs/dbraw/zinc/47/24/44/386472444.db2.gz ZLOZYGLDDZCYTK-UHFFFAOYSA-N 0 3 241.334 3.453 20 0 BGADHN Cc1occc1CNCCC[C@@H]1CCCCO1 ZINC000414441116 386474234 /nfs/dbraw/zinc/47/42/34/386474234.db2.gz ZOPSSXZIESFIRT-AWEZNQCLSA-N 0 3 237.343 3.027 20 0 BGADHN Cc1occc1CNCC1(C(F)(F)F)CCC1 ZINC000414441138 386476723 /nfs/dbraw/zinc/47/67/23/386476723.db2.gz NSCZZZQTYOABDU-UHFFFAOYSA-N 0 3 247.260 3.410 20 0 BGADHN Cc1occc1CNCCC[C@H]1CCCCO1 ZINC000414441224 386474044 /nfs/dbraw/zinc/47/40/44/386474044.db2.gz ZOPSSXZIESFIRT-CQSZACIVSA-N 0 3 237.343 3.027 20 0 BGADHN Cc1occc1CNCCCc1ccccc1F ZINC000414442556 386481183 /nfs/dbraw/zinc/48/11/83/386481183.db2.gz GWQYJICUCVZGMP-UHFFFAOYSA-N 0 3 247.313 3.450 20 0 BGADHN Cc1cc(CN[C@H](C)CC2CCCCC2)nn1C ZINC000414442623 386481974 /nfs/dbraw/zinc/48/19/74/386481974.db2.gz HAAQNYDKJJRFDZ-GFCCVEGCSA-N 0 3 249.402 3.177 20 0 BGADHN Cc1cc(CN[C@@H](C)CC2CCCCC2)nn1C ZINC000414442626 386481392 /nfs/dbraw/zinc/48/13/92/386481392.db2.gz HAAQNYDKJJRFDZ-LBPRGKRZSA-N 0 3 249.402 3.177 20 0 BGADHN Cc1occc1CN1CCC(C)=C(C)C1 ZINC000414442658 386481826 /nfs/dbraw/zinc/48/18/26/386481826.db2.gz HELFSHQSTZXNIC-UHFFFAOYSA-N 0 3 205.301 3.130 20 0 BGADHN Cc1occc1CNCCCc1cccc(C)n1 ZINC000414442740 411419471 /nfs/dbraw/zinc/41/94/71/411419471.db2.gz QQKCWVHZANDGFM-UHFFFAOYSA-N 0 3 244.338 3.014 20 0 BGADHN CCc1ncc(CN(CC)C(CC)CC)cn1 ZINC000414442950 386483999 /nfs/dbraw/zinc/48/39/99/386483999.db2.gz MQHOLSQPXHHMHP-UHFFFAOYSA-N 0 3 235.375 3.050 20 0 BGADHN CC[C@H](CSC)N(C)Cc1ccoc1C ZINC000414443037 386483110 /nfs/dbraw/zinc/48/31/10/386483110.db2.gz MYOFIGYTPDCLMT-GFCCVEGCSA-N 0 3 227.373 3.161 20 0 BGADHN CC[C@@H](CSC)N(C)Cc1ccoc1C ZINC000414443039 386482975 /nfs/dbraw/zinc/48/29/75/386482975.db2.gz MYOFIGYTPDCLMT-LBPRGKRZSA-N 0 3 227.373 3.161 20 0 BGADHN Cc1ccc(CN[C@H](C)CC2CCCCC2)nn1 ZINC000414443056 386483949 /nfs/dbraw/zinc/48/39/49/386483949.db2.gz HYKXQOBFGXAAJR-CYBMUJFWSA-N 0 3 247.386 3.234 20 0 BGADHN Cc1ccc(CN[C@@H](C)CC2CCCCC2)nn1 ZINC000414443057 200751131 /nfs/dbraw/zinc/75/11/31/200751131.db2.gz HYKXQOBFGXAAJR-ZDUSSCGKSA-N 0 3 247.386 3.234 20 0 BGADHN Cc1occc1CN[C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000414443476 397941498 /nfs/dbraw/zinc/94/14/98/397941498.db2.gz NJDCAPSLUBOEQG-ARFHVFGLSA-N 0 3 239.318 3.016 20 0 BGADHN Cc1occc1CN[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000414443487 397941519 /nfs/dbraw/zinc/94/15/19/397941519.db2.gz NJDCAPSLUBOEQG-OWCLPIDISA-N 0 3 239.318 3.016 20 0 BGADHN CCCC[C@H](NCc1ccc(C)nn1)C1CCC1 ZINC000414445936 191511619 /nfs/dbraw/zinc/51/16/19/191511619.db2.gz UFJOVFCVSVYGQG-HNNXBMFYSA-N 0 3 247.386 3.234 20 0 BGADHN CCCC[C@@H](NCc1ccc(C)nn1)C1CCC1 ZINC000414445937 386502230 /nfs/dbraw/zinc/50/22/30/386502230.db2.gz UFJOVFCVSVYGQG-OAHLLOKOSA-N 0 3 247.386 3.234 20 0 BGADHN Cc1cc(CNCC2(C)CCC(C)CC2)nn1C ZINC000414446611 191511960 /nfs/dbraw/zinc/51/19/60/191511960.db2.gz OJFONVXIQFLMLQ-UHFFFAOYSA-N 0 3 249.402 3.035 20 0 BGADHN CCc1ncc(CN(C)[C@@H]2CCCC[C@@H]2C)cn1 ZINC000414446883 386500978 /nfs/dbraw/zinc/50/09/78/386500978.db2.gz KAYYQXVETMHYHM-GXTWGEPZSA-N 0 3 247.386 3.050 20 0 BGADHN CCc1ncc(CN(C)[C@H]2CCCC[C@@H]2C)cn1 ZINC000414446884 386501586 /nfs/dbraw/zinc/50/15/86/386501586.db2.gz KAYYQXVETMHYHM-JSGCOSHPSA-N 0 3 247.386 3.050 20 0 BGADHN CCc1ncc(CN(C)[C@H]2CCCC[C@H]2C)cn1 ZINC000414446885 386501070 /nfs/dbraw/zinc/50/10/70/386501070.db2.gz KAYYQXVETMHYHM-OCCSQVGLSA-N 0 3 247.386 3.050 20 0 BGADHN CCc1ncc(CN(C)[C@@H]2CCCC[C@H]2C)cn1 ZINC000414446886 386499402 /nfs/dbraw/zinc/49/94/02/386499402.db2.gz KAYYQXVETMHYHM-TZMCWYRMSA-N 0 3 247.386 3.050 20 0 BGADHN Cc1occc1CN1CCCC2(CCC2)C1 ZINC000414447704 386516601 /nfs/dbraw/zinc/51/66/01/386516601.db2.gz PWEFTFFRPRTXCU-UHFFFAOYSA-N 0 3 219.328 3.354 20 0 BGADHN Cc1ccc(CN(C)[C@@H](C)C2CCCCC2)nn1 ZINC000414448560 386521406 /nfs/dbraw/zinc/52/14/06/386521406.db2.gz RYGVPVFJPXULJI-ZDUSSCGKSA-N 0 3 247.386 3.186 20 0 BGADHN Cc1cc(CN2CC(C)C2)ccc1C(F)(F)F ZINC000414448848 386524276 /nfs/dbraw/zinc/52/42/76/386524276.db2.gz SZKLBMLEVZLYHP-UHFFFAOYSA-N 0 3 243.272 3.466 20 0 BGADHN Cc1ccc(CNCC2(C)CCC(C)CC2)nn1 ZINC000414448966 386524577 /nfs/dbraw/zinc/52/45/77/386524577.db2.gz UEBPCTVYRWHZDM-UHFFFAOYSA-N 0 3 247.386 3.091 20 0 BGADHN CCc1ncc(CN(C)[C@@H]2CCC(C)(C)C2)cn1 ZINC000414450282 386530851 /nfs/dbraw/zinc/53/08/51/386530851.db2.gz WTVPTMBTKJMGIV-CYBMUJFWSA-N 0 3 247.386 3.050 20 0 BGADHN CCc1ncc(CN(C)[C@H]2CCC(C)(C)C2)cn1 ZINC000414450283 386529462 /nfs/dbraw/zinc/52/94/62/386529462.db2.gz WTVPTMBTKJMGIV-ZDUSSCGKSA-N 0 3 247.386 3.050 20 0 BGADHN Cc1occc1CN1CCSC(C)(C)CC1 ZINC000414450602 386531979 /nfs/dbraw/zinc/53/19/79/386531979.db2.gz YBCWLSOGMWLAEU-UHFFFAOYSA-N 0 3 239.384 3.306 20 0 BGADHN CCCC[C@@H](C)N(C)Cc1cnc(CC)nc1 ZINC000414450771 386533819 /nfs/dbraw/zinc/53/38/19/386533819.db2.gz HMMOAUYUYCZXOP-GFCCVEGCSA-N 0 3 235.375 3.050 20 0 BGADHN CCCC[C@H](C)N(C)Cc1cnc(CC)nc1 ZINC000414450772 386524465 /nfs/dbraw/zinc/52/44/65/386524465.db2.gz HMMOAUYUYCZXOP-LBPRGKRZSA-N 0 3 235.375 3.050 20 0 BGADHN CCC1(CC)CN(Cc2ccoc2C)C1 ZINC000414453608 386548690 /nfs/dbraw/zinc/54/86/90/386548690.db2.gz CBGXJSHPWHXZMO-UHFFFAOYSA-N 0 3 207.317 3.210 20 0 BGADHN Cc1occc1CNCC(C)(C)c1ccccn1 ZINC000414454443 386555025 /nfs/dbraw/zinc/55/50/25/386555025.db2.gz GBDMJLNWSDYYKC-UHFFFAOYSA-N 0 3 244.338 3.050 20 0 BGADHN CSC[C@@H]1CCCN(Cc2ccoc2C)C1 ZINC000414454518 386554985 /nfs/dbraw/zinc/55/49/85/386554985.db2.gz RAGRAHQPUUKNMA-GFCCVEGCSA-N 0 3 239.384 3.163 20 0 BGADHN CSC[C@H]1CCCN(Cc2ccoc2C)C1 ZINC000414454520 386553666 /nfs/dbraw/zinc/55/36/66/386553666.db2.gz RAGRAHQPUUKNMA-LBPRGKRZSA-N 0 3 239.384 3.163 20 0 BGADHN Cc1ccc(CNCC(C)(C)C2=CCCC2)nn1 ZINC000414454627 386558890 /nfs/dbraw/zinc/55/88/90/386558890.db2.gz DSKQHVDQGHDAER-UHFFFAOYSA-N 0 3 245.370 3.011 20 0 BGADHN Cc1ccc(CNC[C@@H]2CCCC(C)(C)C2)nn1 ZINC000414454658 386560340 /nfs/dbraw/zinc/56/03/40/386560340.db2.gz DVWCKJSQXLCALP-CYBMUJFWSA-N 0 3 247.386 3.091 20 0 BGADHN Cc1ccc(CNC[C@H]2CCCC(C)(C)C2)nn1 ZINC000414454660 386559508 /nfs/dbraw/zinc/55/95/08/386559508.db2.gz DVWCKJSQXLCALP-ZDUSSCGKSA-N 0 3 247.386 3.091 20 0 BGADHN Cc1ccc(CN(C)[C@H](C)C2CCCCC2)nn1 ZINC000414454893 386562382 /nfs/dbraw/zinc/56/23/82/386562382.db2.gz RYGVPVFJPXULJI-CYBMUJFWSA-N 0 3 247.386 3.186 20 0 BGADHN Cc1ccc(CN2CC[C@H](CC(C)(C)C)C2)nn1 ZINC000414455352 386560309 /nfs/dbraw/zinc/56/03/09/386560309.db2.gz FJIQCNBWOWPIBU-CYBMUJFWSA-N 0 3 247.386 3.043 20 0 BGADHN Cc1ccc(CN2CC[C@@H](CC(C)(C)C)C2)nn1 ZINC000414455354 386559370 /nfs/dbraw/zinc/55/93/70/386559370.db2.gz FJIQCNBWOWPIBU-ZDUSSCGKSA-N 0 3 247.386 3.043 20 0 BGADHN Cc1ccc(CN[C@@H](C)[C@@H]2CCC[C@H](C)C2)nn1 ZINC000414456031 386566735 /nfs/dbraw/zinc/56/67/35/386566735.db2.gz GLHQBAOBRNWUBH-FPMFFAJLSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1ccc(CN[C@@H](C)[C@@H]2CCC[C@@H](C)C2)nn1 ZINC000414456032 386564934 /nfs/dbraw/zinc/56/49/34/386564934.db2.gz GLHQBAOBRNWUBH-KWCYVHTRSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1ccc(CN[C@@H](C)[C@H]2CCC[C@H](C)C2)nn1 ZINC000414456034 386566774 /nfs/dbraw/zinc/56/67/74/386566774.db2.gz GLHQBAOBRNWUBH-UBHSHLNASA-N 0 3 247.386 3.089 20 0 BGADHN Cc1ccc(CN[C@@H](C)[C@H]2CCC[C@@H](C)C2)nn1 ZINC000414456036 386566418 /nfs/dbraw/zinc/56/64/18/386566418.db2.gz GLHQBAOBRNWUBH-XBFCOCLRSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1occc1CN(C)C1CC(C)(C)C1 ZINC000414456337 386567924 /nfs/dbraw/zinc/56/79/24/386567924.db2.gz DDYQQAYKYKVBRB-UHFFFAOYSA-N 0 3 207.317 3.208 20 0 BGADHN CCC[C@H](NCc1cc(C)n(C)n1)C1CCCC1 ZINC000414457223 386578999 /nfs/dbraw/zinc/57/89/99/386578999.db2.gz GBFIQVVNYNLQGK-HNNXBMFYSA-N 0 3 249.402 3.177 20 0 BGADHN CCC[C@@H](NCc1cc(C)n(C)n1)C1CCCC1 ZINC000414457224 386578625 /nfs/dbraw/zinc/57/86/25/386578625.db2.gz GBFIQVVNYNLQGK-OAHLLOKOSA-N 0 3 249.402 3.177 20 0 BGADHN CC[C@H]1CCCC[C@H]1CNCc1cc(C)n(C)n1 ZINC000414457421 386578906 /nfs/dbraw/zinc/57/89/06/386578906.db2.gz KXEIUBYTAVPYMZ-KBPBESRZSA-N 0 3 249.402 3.035 20 0 BGADHN CC[C@@H]1CCCC[C@H]1CNCc1cc(C)n(C)n1 ZINC000414457422 386578010 /nfs/dbraw/zinc/57/80/10/386578010.db2.gz KXEIUBYTAVPYMZ-KGLIPLIRSA-N 0 3 249.402 3.035 20 0 BGADHN CC[C@H]1CCCC[C@@H]1CNCc1cc(C)n(C)n1 ZINC000414457423 386578784 /nfs/dbraw/zinc/57/87/84/386578784.db2.gz KXEIUBYTAVPYMZ-UONOGXRCSA-N 0 3 249.402 3.035 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1CNCc1cc(C)n(C)n1 ZINC000414457424 386578538 /nfs/dbraw/zinc/57/85/38/386578538.db2.gz KXEIUBYTAVPYMZ-ZIAGYGMSSA-N 0 3 249.402 3.035 20 0 BGADHN Cc1occc1CN1CC2(CCC2)[C@@H]1C1CC1 ZINC000414457483 386572393 /nfs/dbraw/zinc/57/23/93/386572393.db2.gz RYAADTSKSDNYNE-AWEZNQCLSA-N 0 3 231.339 3.353 20 0 BGADHN Cc1occc1CN1CC2(CCC2)[C@H]1C1CC1 ZINC000414457484 386571213 /nfs/dbraw/zinc/57/12/13/386571213.db2.gz RYAADTSKSDNYNE-CQSZACIVSA-N 0 3 231.339 3.353 20 0 BGADHN Cc1occc1CN1CC(C)(C)[C@H]1C1CC1 ZINC000414461155 386591845 /nfs/dbraw/zinc/59/18/45/386591845.db2.gz XHNZKZJVCXMZOO-CYBMUJFWSA-N 0 3 219.328 3.208 20 0 BGADHN Cc1occc1CN1CC(C)(C)[C@@H]1C1CC1 ZINC000414461161 386592533 /nfs/dbraw/zinc/59/25/33/386592533.db2.gz XHNZKZJVCXMZOO-ZDUSSCGKSA-N 0 3 219.328 3.208 20 0 BGADHN CCO[C@@H]1CCCC[C@H]1NCc1ccoc1C ZINC000414461389 386602272 /nfs/dbraw/zinc/60/22/72/386602272.db2.gz ONBDCOGYOROHIV-ZIAGYGMSSA-N 0 3 237.343 3.025 20 0 BGADHN CCN(Cc1ccoc1C)CC(C)(C)C ZINC000414463053 386615719 /nfs/dbraw/zinc/61/57/19/386615719.db2.gz ZUZVEGYVHOELTD-UHFFFAOYSA-N 0 3 209.333 3.456 20 0 BGADHN CCc1ncc(CN2C[C@H](CC)CC[C@@H]2C)cn1 ZINC000414463893 386617020 /nfs/dbraw/zinc/61/70/20/386617020.db2.gz SJYKEUXKXGEBSU-QWHCGFSZSA-N 0 3 247.386 3.050 20 0 BGADHN Cc1ccc(CN(C(C)C)C2CC(C)(C)C2)nn1 ZINC000414465017 386625017 /nfs/dbraw/zinc/62/50/17/386625017.db2.gz VUVQZJVRKSZWLE-UHFFFAOYSA-N 0 3 247.386 3.184 20 0 BGADHN Cc1occc1CN1CC(C2CCCC2)C1 ZINC000414465073 386624903 /nfs/dbraw/zinc/62/49/03/386624903.db2.gz VYZDLHDRFGUNDG-UHFFFAOYSA-N 0 3 219.328 3.210 20 0 BGADHN Cc1cc(CNC[C@@H]2CCCC(C)(C)C2)nn1C ZINC000414465183 386625988 /nfs/dbraw/zinc/62/59/88/386625988.db2.gz WPXKPWPDIKJDGQ-CYBMUJFWSA-N 0 3 249.402 3.035 20 0 BGADHN Cc1cc(CNC[C@H]2CCCC(C)(C)C2)nn1C ZINC000414465185 386626392 /nfs/dbraw/zinc/62/63/92/386626392.db2.gz WPXKPWPDIKJDGQ-ZDUSSCGKSA-N 0 3 249.402 3.035 20 0 BGADHN Cc1occc1CN1CC2(C1)CCCCC2 ZINC000414465190 386625559 /nfs/dbraw/zinc/62/55/59/386625559.db2.gz WQUPSAVLJKWYNY-UHFFFAOYSA-N 0 3 219.328 3.354 20 0 BGADHN CC(C)=CCC[C@@H](C)NCc1ccc(C)nn1 ZINC000414467065 386629009 /nfs/dbraw/zinc/62/90/09/386629009.db2.gz IDNWKVUVMFEBJL-GFCCVEGCSA-N 0 3 233.359 3.010 20 0 BGADHN CC(C)=CCC[C@H](C)NCc1ccc(C)nn1 ZINC000414467067 386630171 /nfs/dbraw/zinc/63/01/71/386630171.db2.gz IDNWKVUVMFEBJL-LBPRGKRZSA-N 0 3 233.359 3.010 20 0 BGADHN Cc1occc1CN1CC(C(C)(C)C)C1 ZINC000414468828 386639942 /nfs/dbraw/zinc/63/99/42/386639942.db2.gz ZFFQMMRIBGKYAV-UHFFFAOYSA-N 0 3 207.317 3.066 20 0 BGADHN Cc1occc1CNCCCc1ncccc1C ZINC000414469418 191517851 /nfs/dbraw/zinc/51/78/51/191517851.db2.gz MCYPJTLULKCPFN-UHFFFAOYSA-N 0 3 244.338 3.014 20 0 BGADHN Cc1occc1CN1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000414472127 386652684 /nfs/dbraw/zinc/65/26/84/386652684.db2.gz SGELPCKZTYNLGU-CABCVRRESA-N 0 3 231.339 3.208 20 0 BGADHN Cc1occc1CN1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000414472128 386651025 /nfs/dbraw/zinc/65/10/25/386651025.db2.gz SGELPCKZTYNLGU-GJZGRUSLSA-N 0 3 231.339 3.208 20 0 BGADHN Cc1occc1CN1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000414472130 386652700 /nfs/dbraw/zinc/65/27/00/386652700.db2.gz SGELPCKZTYNLGU-HUUCEWRRSA-N 0 3 231.339 3.208 20 0 BGADHN Cc1occc1CN1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000414472131 386651366 /nfs/dbraw/zinc/65/13/66/386651366.db2.gz SGELPCKZTYNLGU-LSDHHAIUSA-N 0 3 231.339 3.208 20 0 BGADHN Cc1occc1CNCCc1cc(C)ccc1F ZINC000414476218 386665677 /nfs/dbraw/zinc/66/56/77/386665677.db2.gz ZNGGPXMRRCYHHQ-UHFFFAOYSA-N 0 3 247.313 3.368 20 0 BGADHN CCC[C@@H](NCc1ccc(C)nn1)C(C)(C)C ZINC000414476288 386667280 /nfs/dbraw/zinc/66/72/80/386667280.db2.gz ZVZLYUYDTNAPGZ-CYBMUJFWSA-N 0 3 235.375 3.089 20 0 BGADHN CCC[C@H](NCc1ccc(C)nn1)C(C)(C)C ZINC000414476290 386667885 /nfs/dbraw/zinc/66/78/85/386667885.db2.gz ZVZLYUYDTNAPGZ-ZDUSSCGKSA-N 0 3 235.375 3.089 20 0 BGADHN CCn1ccc(CNCCC2CCCCCC2)n1 ZINC000414477579 386676394 /nfs/dbraw/zinc/67/63/94/386676394.db2.gz CSKKEEUDYFXQTF-UHFFFAOYSA-N 0 3 249.402 3.353 20 0 BGADHN CCn1ccc(CNCC2(C)CCCCCC2)n1 ZINC000414478508 386672416 /nfs/dbraw/zinc/67/24/16/386672416.db2.gz GHDSFHRBRNNMTD-UHFFFAOYSA-N 0 3 249.402 3.353 20 0 BGADHN CCn1ccc(CNCC2CCC(C)(C)CC2)n1 ZINC000414482178 386689961 /nfs/dbraw/zinc/68/99/61/386689961.db2.gz MNRDTORXVQXOIS-UHFFFAOYSA-N 0 3 249.402 3.209 20 0 BGADHN CC[C@H]1CCC[C@H](CNCc2ccn(CC)n2)C1 ZINC000414482560 397954072 /nfs/dbraw/zinc/95/40/72/397954072.db2.gz MXZFTOLWEKIAFU-KBPBESRZSA-N 0 3 249.402 3.209 20 0 BGADHN CC[C@@H]1CCC[C@H](CNCc2ccn(CC)n2)C1 ZINC000414482561 397954173 /nfs/dbraw/zinc/95/41/73/397954173.db2.gz MXZFTOLWEKIAFU-KGLIPLIRSA-N 0 3 249.402 3.209 20 0 BGADHN CC[C@H]1CCC[C@@H](CNCc2ccn(CC)n2)C1 ZINC000414482562 397954345 /nfs/dbraw/zinc/95/43/45/397954345.db2.gz MXZFTOLWEKIAFU-UONOGXRCSA-N 0 3 249.402 3.209 20 0 BGADHN CC[C@@H]1CCC[C@@H](CNCc2ccn(CC)n2)C1 ZINC000414482564 397954413 /nfs/dbraw/zinc/95/44/13/397954413.db2.gz MXZFTOLWEKIAFU-ZIAGYGMSSA-N 0 3 249.402 3.209 20 0 BGADHN CCn1ccc(CNCCCC2CCCCC2)n1 ZINC000414484248 386696797 /nfs/dbraw/zinc/69/67/97/386696797.db2.gz PRZGUPOYTYOLJP-UHFFFAOYSA-N 0 3 249.402 3.353 20 0 BGADHN c1nc(CNC[C@@H]2CCC[C@H]2C2CC2)cs1 ZINC000414484580 386697261 /nfs/dbraw/zinc/69/72/61/386697261.db2.gz ODYHLMCORTWXHC-AAEUAGOBSA-N 0 3 236.384 3.059 20 0 BGADHN c1nc(CNC[C@H]2CCC[C@@H]2C2CC2)cs1 ZINC000414484581 386697716 /nfs/dbraw/zinc/69/77/16/386697716.db2.gz ODYHLMCORTWXHC-DGCLKSJQSA-N 0 3 236.384 3.059 20 0 BGADHN c1nc(CNC[C@@H]2CCC[C@@H]2C2CC2)cs1 ZINC000414484582 386696997 /nfs/dbraw/zinc/69/69/97/386696997.db2.gz ODYHLMCORTWXHC-WCQYABFASA-N 0 3 236.384 3.059 20 0 BGADHN c1nc(CNC[C@H]2CCC[C@H]2C2CC2)cs1 ZINC000414484583 386698154 /nfs/dbraw/zinc/69/81/54/386698154.db2.gz ODYHLMCORTWXHC-YPMHNXCESA-N 0 3 236.384 3.059 20 0 BGADHN CCc1nocc1CNC[C@@H]1CCC[C@@H]1C1CC1 ZINC000414484639 386703100 /nfs/dbraw/zinc/70/31/00/386703100.db2.gz OHSUODPVWDMPCB-GXTWGEPZSA-N 0 3 248.370 3.153 20 0 BGADHN CCc1nocc1CNC[C@@H]1CCC[C@H]1C1CC1 ZINC000414484640 386701899 /nfs/dbraw/zinc/70/18/99/386701899.db2.gz OHSUODPVWDMPCB-JSGCOSHPSA-N 0 3 248.370 3.153 20 0 BGADHN CCc1nocc1CNC[C@H]1CCC[C@H]1C1CC1 ZINC000414484641 386702814 /nfs/dbraw/zinc/70/28/14/386702814.db2.gz OHSUODPVWDMPCB-OCCSQVGLSA-N 0 3 248.370 3.153 20 0 BGADHN CCc1nocc1CNC[C@H]1CCC[C@@H]1C1CC1 ZINC000414484642 386701186 /nfs/dbraw/zinc/70/11/86/386701186.db2.gz OHSUODPVWDMPCB-TZMCWYRMSA-N 0 3 248.370 3.153 20 0 BGADHN COCC[C@@H](C)CNCc1ccsc1Cl ZINC000414486212 386698458 /nfs/dbraw/zinc/69/84/58/386698458.db2.gz SOPQZTHKNRVJNN-SECBINFHSA-N 0 3 247.791 3.164 20 0 BGADHN COCC[C@H](C)CNCc1ccsc1Cl ZINC000414486215 386699676 /nfs/dbraw/zinc/69/96/76/386699676.db2.gz SOPQZTHKNRVJNN-VIFPVBQESA-N 0 3 247.791 3.164 20 0 BGADHN Cc1noc(C)c1CNC[C@@H]1CCC[C@H]1C1CC1 ZINC000414486569 386705594 /nfs/dbraw/zinc/70/55/94/386705594.db2.gz RFLPCCXWJBIGQH-KBPBESRZSA-N 0 3 248.370 3.207 20 0 BGADHN Cc1noc(C)c1CNC[C@H]1CCC[C@H]1C1CC1 ZINC000414486571 386705200 /nfs/dbraw/zinc/70/52/00/386705200.db2.gz RFLPCCXWJBIGQH-KGLIPLIRSA-N 0 3 248.370 3.207 20 0 BGADHN Cc1noc(C)c1CNC[C@@H]1CCC[C@@H]1C1CC1 ZINC000414486574 386704669 /nfs/dbraw/zinc/70/46/69/386704669.db2.gz RFLPCCXWJBIGQH-UONOGXRCSA-N 0 3 248.370 3.207 20 0 BGADHN Cc1noc(C)c1CNC[C@H]1CCC[C@@H]1C1CC1 ZINC000414486576 386704708 /nfs/dbraw/zinc/70/47/08/386704708.db2.gz RFLPCCXWJBIGQH-ZIAGYGMSSA-N 0 3 248.370 3.207 20 0 BGADHN CCOc1ccc(CN[C@H]2CC2(C)C)cc1F ZINC000414486658 386705371 /nfs/dbraw/zinc/70/53/71/386705371.db2.gz NXFHSDBDGZVVGV-ZDUSSCGKSA-N 0 3 237.318 3.113 20 0 BGADHN Fc1cnccc1CNC[C@@H]1CCC[C@@H]1C1CC1 ZINC000414489421 487812268 /nfs/dbraw/zinc/81/22/68/487812268.db2.gz VXFODJDQUGGNNH-GXTWGEPZSA-N 0 3 248.345 3.137 20 0 BGADHN Fc1cnccc1CNC[C@@H]1CCC[C@H]1C1CC1 ZINC000414489422 487812215 /nfs/dbraw/zinc/81/22/15/487812215.db2.gz VXFODJDQUGGNNH-JSGCOSHPSA-N 0 3 248.345 3.137 20 0 BGADHN Fc1cnccc1CNC[C@H]1CCC[C@H]1C1CC1 ZINC000414489423 487812220 /nfs/dbraw/zinc/81/22/20/487812220.db2.gz VXFODJDQUGGNNH-OCCSQVGLSA-N 0 3 248.345 3.137 20 0 BGADHN Fc1cnccc1CNC[C@H]1CCC[C@@H]1C1CC1 ZINC000414489424 487812331 /nfs/dbraw/zinc/81/23/31/487812331.db2.gz VXFODJDQUGGNNH-TZMCWYRMSA-N 0 3 248.345 3.137 20 0 BGADHN CCn1ccc(CNCC(CC)(CC)CC)n1 ZINC000414489754 386714475 /nfs/dbraw/zinc/71/44/75/386714475.db2.gz ZAWIJHNRRVBQOG-UHFFFAOYSA-N 0 3 237.391 3.209 20 0 BGADHN c1coc(CNC[C@@H]2CCC[C@@H]2C2CC2)c1 ZINC000414489930 386712806 /nfs/dbraw/zinc/71/28/06/386712806.db2.gz WMLNYXWWVLUQAP-GXTWGEPZSA-N 0 3 219.328 3.196 20 0 BGADHN c1coc(CNC[C@@H]2CCC[C@H]2C2CC2)c1 ZINC000414489931 386713503 /nfs/dbraw/zinc/71/35/03/386713503.db2.gz WMLNYXWWVLUQAP-JSGCOSHPSA-N 0 3 219.328 3.196 20 0 BGADHN c1coc(CNC[C@H]2CCC[C@H]2C2CC2)c1 ZINC000414489932 386714246 /nfs/dbraw/zinc/71/42/46/386714246.db2.gz WMLNYXWWVLUQAP-OCCSQVGLSA-N 0 3 219.328 3.196 20 0 BGADHN c1coc(CNC[C@H]2CCC[C@@H]2C2CC2)c1 ZINC000414489933 386712896 /nfs/dbraw/zinc/71/28/96/386712896.db2.gz WMLNYXWWVLUQAP-TZMCWYRMSA-N 0 3 219.328 3.196 20 0 BGADHN CN(C)Cc1ccc(NCc2ccco2)c(F)c1 ZINC000414490292 386713084 /nfs/dbraw/zinc/71/30/84/386713084.db2.gz RNRISBHSBCAACZ-UHFFFAOYSA-N 0 3 248.301 3.092 20 0 BGADHN CC(C)[C@@H](C)Nc1ccc(CN(C)C)cc1F ZINC000414492886 386726772 /nfs/dbraw/zinc/72/67/72/386726772.db2.gz BFLSLDQKTKBMGG-LLVKDONJSA-N 0 3 238.350 3.344 20 0 BGADHN CC(C)[C@H](C)Nc1ccc(CN(C)C)cc1F ZINC000414492889 386727702 /nfs/dbraw/zinc/72/77/02/386727702.db2.gz BFLSLDQKTKBMGG-NSHDSACASA-N 0 3 238.350 3.344 20 0 BGADHN CN(C)Cc1ccc(NCC(C)(C)C)c(F)c1 ZINC000414492911 386727539 /nfs/dbraw/zinc/72/75/39/386727539.db2.gz WZGATMAXVRFUQZ-UHFFFAOYSA-N 0 3 238.350 3.345 20 0 BGADHN C[C@H](N[C@H]1CCC[C@H]1C1CC1)c1nccs1 ZINC000414493311 386732460 /nfs/dbraw/zinc/73/24/60/386732460.db2.gz HWUWDKZMVXSIDW-DLOVCJGASA-N 0 3 236.384 3.372 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@@H]1C1CC1)c1nccs1 ZINC000414493312 386730207 /nfs/dbraw/zinc/73/02/07/386730207.db2.gz HWUWDKZMVXSIDW-MVWJERBFSA-N 0 3 236.384 3.372 20 0 BGADHN C[C@H](N[C@H]1CCC[C@@H]1C1CC1)c1nccs1 ZINC000414493313 386729881 /nfs/dbraw/zinc/72/98/81/386729881.db2.gz HWUWDKZMVXSIDW-WCQGTBRESA-N 0 3 236.384 3.372 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@H]1C1CC1)c1nccs1 ZINC000414493314 386732679 /nfs/dbraw/zinc/73/26/79/386732679.db2.gz HWUWDKZMVXSIDW-ZMLRMANQSA-N 0 3 236.384 3.372 20 0 BGADHN CCC(CC)Nc1ccc(CN(C)C)cc1F ZINC000414494293 386731346 /nfs/dbraw/zinc/73/13/46/386731346.db2.gz DRBLTPVMPSQXKQ-UHFFFAOYSA-N 0 3 238.350 3.488 20 0 BGADHN CC[C@@H](C)CNc1ccc(CN(C)C)cc1F ZINC000414495299 386722489 /nfs/dbraw/zinc/72/24/89/386722489.db2.gz GSVSWQUSEIVUTN-LLVKDONJSA-N 0 3 238.350 3.345 20 0 BGADHN CC[C@H](C)CNc1ccc(CN(C)C)cc1F ZINC000414495300 386722676 /nfs/dbraw/zinc/72/26/76/386722676.db2.gz GSVSWQUSEIVUTN-NSHDSACASA-N 0 3 238.350 3.345 20 0 BGADHN CN(C)Cc1ccc(NC2CCCC2)c(F)c1 ZINC000414497364 386740874 /nfs/dbraw/zinc/74/08/74/386740874.db2.gz KHHUJLMPRCOYQI-UHFFFAOYSA-N 0 3 236.334 3.242 20 0 BGADHN CC1(C)CCC(C)(CNCc2cc[nH]n2)CC1 ZINC000414498538 386748063 /nfs/dbraw/zinc/74/80/63/386748063.db2.gz ASEFHGZEJTZGEV-UHFFFAOYSA-N 0 3 235.375 3.106 20 0 BGADHN C[C@H](Nc1ccc(CN(C)C)cc1F)C1CC1 ZINC000414500063 386756302 /nfs/dbraw/zinc/75/63/02/386756302.db2.gz PNQPGNYVIFRWEY-JTQLQIEISA-N 0 3 236.334 3.098 20 0 BGADHN C[C@@H](Nc1ccc(CN(C)C)cc1F)C1CC1 ZINC000414500065 386757537 /nfs/dbraw/zinc/75/75/37/386757537.db2.gz PNQPGNYVIFRWEY-SNVBAGLBSA-N 0 3 236.334 3.098 20 0 BGADHN CC1CC(Nc2ccc(CN(C)C)cc2F)C1 ZINC000414500160 386760734 /nfs/dbraw/zinc/76/07/34/386760734.db2.gz PTGPRIQPEJZMEW-UHFFFAOYSA-N 0 3 236.334 3.098 20 0 BGADHN CC1(C)CCC(C)(CNCc2cncnc2)CC1 ZINC000414501623 386766439 /nfs/dbraw/zinc/76/64/39/386766439.db2.gz HQEAHLKEDNBXPF-UHFFFAOYSA-N 0 3 247.386 3.173 20 0 BGADHN CC1(C)CCC(C)(CNCc2ncc[nH]2)CC1 ZINC000414502606 386762835 /nfs/dbraw/zinc/76/28/35/386762835.db2.gz KDOGMQUAQZBXJX-UHFFFAOYSA-N 0 3 235.375 3.106 20 0 BGADHN Cn1ccnc1CNCC1(C)CCC(C)(C)CC1 ZINC000414503374 386776471 /nfs/dbraw/zinc/77/64/71/386776471.db2.gz LRTRKLZXDPEJDB-UHFFFAOYSA-N 0 3 249.402 3.116 20 0 BGADHN COc1ccc(CN[C@@H]2CCCC[C@H]2F)cc1 ZINC000414511363 411424402 /nfs/dbraw/zinc/42/44/02/411424402.db2.gz KSFBFKFIYZDUAB-ZIAGYGMSSA-N 0 3 237.318 3.066 20 0 BGADHN Cc1cc(CN[C@@H]2CCCC[C@H]2F)cs1 ZINC000414515050 385635312 /nfs/dbraw/zinc/63/53/12/385635312.db2.gz SROGIFQKFYUQBE-VXGBXAGGSA-N 0 3 227.348 3.427 20 0 BGADHN COc1cccc(CN[C@@H]2CCCC[C@H]2F)c1 ZINC000414516805 385639263 /nfs/dbraw/zinc/63/92/63/385639263.db2.gz XTDUIHSAOQVRAA-ZIAGYGMSSA-N 0 3 237.318 3.066 20 0 BGADHN CC(C)(CNCc1ccsc1)OCC1CC1 ZINC000414517830 385644732 /nfs/dbraw/zinc/64/47/32/385644732.db2.gz SRJSIAQMWDNUHK-UHFFFAOYSA-N 0 3 239.384 3.043 20 0 BGADHN COc1c(O)cccc1CN1CC(C)(C)C[C@H]1C ZINC000414520346 385658407 /nfs/dbraw/zinc/65/84/07/385658407.db2.gz CTKZAPZMSSWBAA-LLVKDONJSA-N 0 3 249.354 3.021 20 0 BGADHN COc1c(O)cccc1CN1CC(C)(C)C[C@@H]1C ZINC000414520350 385658984 /nfs/dbraw/zinc/65/89/84/385658984.db2.gz CTKZAPZMSSWBAA-NSHDSACASA-N 0 3 249.354 3.021 20 0 BGADHN Cc1nn(C(C)C)cc1CN1CC(C)(C)C[C@H]1C ZINC000414521224 411425529 /nfs/dbraw/zinc/42/55/29/411425529.db2.gz DYQOPIZRFGYFAP-GFCCVEGCSA-N 0 3 249.402 3.393 20 0 BGADHN Cc1nn(C(C)C)cc1CN1CC(C)(C)C[C@@H]1C ZINC000414521226 411426102 /nfs/dbraw/zinc/42/61/02/411426102.db2.gz DYQOPIZRFGYFAP-LBPRGKRZSA-N 0 3 249.402 3.393 20 0 BGADHN COc1ccsc1CN1CC(C)(C)C[C@@H]1C ZINC000414523724 385662596 /nfs/dbraw/zinc/66/25/96/385662596.db2.gz ISLLOVYWFPOVNN-JTQLQIEISA-N 0 3 239.384 3.377 20 0 BGADHN COc1ccsc1CN1CC(C)(C)C[C@H]1C ZINC000414523726 385662192 /nfs/dbraw/zinc/66/21/92/385662192.db2.gz ISLLOVYWFPOVNN-SNVBAGLBSA-N 0 3 239.384 3.377 20 0 BGADHN COCc1ccc(CN2CC(C)(C)C[C@H]2C)o1 ZINC000414524234 385665125 /nfs/dbraw/zinc/66/51/25/385665125.db2.gz JXNINMSQGUPPOS-LLVKDONJSA-N 0 3 237.343 3.046 20 0 BGADHN COCc1ccc(CN2CC(C)(C)C[C@@H]2C)o1 ZINC000414524235 385663614 /nfs/dbraw/zinc/66/36/14/385663614.db2.gz JXNINMSQGUPPOS-NSHDSACASA-N 0 3 237.343 3.046 20 0 BGADHN CCc1ncc(CN2CC(C)(C)C[C@@H]2C)s1 ZINC000414524980 385668886 /nfs/dbraw/zinc/66/88/86/385668886.db2.gz LITPCFRPEDCUGU-JTQLQIEISA-N 0 3 238.400 3.326 20 0 BGADHN CCc1ncc(CN2CC(C)(C)C[C@H]2C)s1 ZINC000414524981 385670740 /nfs/dbraw/zinc/67/07/40/385670740.db2.gz LITPCFRPEDCUGU-SNVBAGLBSA-N 0 3 238.400 3.326 20 0 BGADHN COC1([C@@H](C)NCc2csc(C)c2)CCC1 ZINC000414525027 385670685 /nfs/dbraw/zinc/67/06/85/385670685.db2.gz LRAHXBIOSUZJSC-LLVKDONJSA-N 0 3 239.384 3.104 20 0 BGADHN COC1([C@H](C)NCc2csc(C)c2)CCC1 ZINC000414525028 385669695 /nfs/dbraw/zinc/66/96/95/385669695.db2.gz LRAHXBIOSUZJSC-NSHDSACASA-N 0 3 239.384 3.104 20 0 BGADHN COc1ccc(CN2CC(C)(C)C[C@H]2C)cc1O ZINC000414525231 385669546 /nfs/dbraw/zinc/66/95/46/385669546.db2.gz LRQKCWXDEJDLSR-LLVKDONJSA-N 0 3 249.354 3.021 20 0 BGADHN COc1ccc(CN2CC(C)(C)C[C@@H]2C)cc1O ZINC000414525232 385670430 /nfs/dbraw/zinc/67/04/30/385670430.db2.gz LRQKCWXDEJDLSR-NSHDSACASA-N 0 3 249.354 3.021 20 0 BGADHN CC(C)Cn1cc(CN2CC(C)(C)C[C@H]2C)cn1 ZINC000414525233 385670572 /nfs/dbraw/zinc/67/05/72/385670572.db2.gz LRTCQRBBXQAIQU-CYBMUJFWSA-N 0 3 249.402 3.160 20 0 BGADHN CC(C)Cn1cc(CN2CC(C)(C)C[C@@H]2C)cn1 ZINC000414525234 385670906 /nfs/dbraw/zinc/67/09/06/385670906.db2.gz LRTCQRBBXQAIQU-ZDUSSCGKSA-N 0 3 249.402 3.160 20 0 BGADHN CCc1ccc(CN2CC(C)(C)C[C@H]2C)cn1 ZINC000414525443 385673484 /nfs/dbraw/zinc/67/34/84/385673484.db2.gz MGMDIMWLEWHTOM-GFCCVEGCSA-N 0 3 232.371 3.264 20 0 BGADHN CCc1ccc(CN2CC(C)(C)C[C@@H]2C)cn1 ZINC000414525444 385672394 /nfs/dbraw/zinc/67/23/94/385672394.db2.gz MGMDIMWLEWHTOM-LBPRGKRZSA-N 0 3 232.371 3.264 20 0 BGADHN Cc1ccc(CN[C@H]2CCC[C@@H]2C(C)(C)C)nn1 ZINC000414528110 385681062 /nfs/dbraw/zinc/68/10/62/385681062.db2.gz AFQRJFUHMMDTAL-KBPBESRZSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1ccc(CN[C@H]2CCC[C@H]2C(C)(C)C)nn1 ZINC000414528113 385681295 /nfs/dbraw/zinc/68/12/95/385681295.db2.gz AFQRJFUHMMDTAL-KGLIPLIRSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1ccc(CN[C@@H]2CCC[C@@H]2C(C)(C)C)nn1 ZINC000414528114 385679909 /nfs/dbraw/zinc/67/99/09/385679909.db2.gz AFQRJFUHMMDTAL-UONOGXRCSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1ccc(CN[C@@H]2CCC[C@H]2C(C)(C)C)nn1 ZINC000414528116 385680498 /nfs/dbraw/zinc/68/04/98/385680498.db2.gz AFQRJFUHMMDTAL-ZIAGYGMSSA-N 0 3 247.386 3.089 20 0 BGADHN C[C@@H]1CC(C)(C)CN1Cc1c[nH]nc1C(C)(C)C ZINC000414528175 385680653 /nfs/dbraw/zinc/68/06/53/385680653.db2.gz SUUABGKEWFNCIL-LLVKDONJSA-N 0 3 249.402 3.328 20 0 BGADHN C[C@H]1CC(C)(C)CN1Cc1c[nH]nc1C(C)(C)C ZINC000414528176 385680975 /nfs/dbraw/zinc/68/09/75/385680975.db2.gz SUUABGKEWFNCIL-NSHDSACASA-N 0 3 249.402 3.328 20 0 BGADHN Cc1ccc(CN2CC(C)(C)C[C@H]2C)cn1 ZINC000414529721 385685447 /nfs/dbraw/zinc/68/54/47/385685447.db2.gz WHJJWEBGNNKVKL-GFCCVEGCSA-N 0 3 218.344 3.010 20 0 BGADHN Cc1ccc(CN2CC(C)(C)C[C@@H]2C)cn1 ZINC000414529723 385685034 /nfs/dbraw/zinc/68/50/34/385685034.db2.gz WHJJWEBGNNKVKL-LBPRGKRZSA-N 0 3 218.344 3.010 20 0 BGADHN CC(C)n1cc(CN2CC(C)(C)C[C@H]2C)cn1 ZINC000414530008 385684980 /nfs/dbraw/zinc/68/49/80/385684980.db2.gz WLSAVTKIYSENST-GFCCVEGCSA-N 0 3 235.375 3.084 20 0 BGADHN CC(C)n1cc(CN2CC(C)(C)C[C@@H]2C)cn1 ZINC000414530011 385685375 /nfs/dbraw/zinc/68/53/75/385685375.db2.gz WLSAVTKIYSENST-LBPRGKRZSA-N 0 3 235.375 3.084 20 0 BGADHN C[C@@H]1CC(C)(C)CN1Cc1cnn(C(C)(C)C)c1 ZINC000414531429 385681251 /nfs/dbraw/zinc/68/12/51/385681251.db2.gz ZJSDNLVIDPSWMZ-GFCCVEGCSA-N 0 3 249.402 3.259 20 0 BGADHN C[C@H]1CC(C)(C)CN1Cc1cnn(C(C)(C)C)c1 ZINC000414531430 385679945 /nfs/dbraw/zinc/67/99/45/385679945.db2.gz ZJSDNLVIDPSWMZ-LBPRGKRZSA-N 0 3 249.402 3.259 20 0 BGADHN CCc1nocc1CN(CC)C1CC(C)(C)C1 ZINC000414531582 385682986 /nfs/dbraw/zinc/68/29/86/385682986.db2.gz GNDXTRXKCHCPNZ-UHFFFAOYSA-N 0 3 236.359 3.248 20 0 BGADHN CCN(Cc1cccn1C)C1CC(C)(C)C1 ZINC000414533324 385690334 /nfs/dbraw/zinc/69/03/34/385690334.db2.gz IDJVUUVPDOKOMR-UHFFFAOYSA-N 0 3 220.360 3.036 20 0 BGADHN CCN(Cc1ccco1)C1CC(C)(C)C1 ZINC000414535627 385693214 /nfs/dbraw/zinc/69/32/14/385693214.db2.gz LUDADOKIQIMOEV-UHFFFAOYSA-N 0 3 207.317 3.290 20 0 BGADHN Cc1cc(CN[C@H]2CCC[C@@H]2C(C)(C)C)nn1C ZINC000414535760 385694331 /nfs/dbraw/zinc/69/43/31/385694331.db2.gz MDWXQISINIORRB-KBPBESRZSA-N 0 3 249.402 3.033 20 0 BGADHN Cc1cc(CN[C@H]2CCC[C@H]2C(C)(C)C)nn1C ZINC000414535762 385693538 /nfs/dbraw/zinc/69/35/38/385693538.db2.gz MDWXQISINIORRB-KGLIPLIRSA-N 0 3 249.402 3.033 20 0 BGADHN Cc1cc(CN[C@@H]2CCC[C@@H]2C(C)(C)C)nn1C ZINC000414535765 385693054 /nfs/dbraw/zinc/69/30/54/385693054.db2.gz MDWXQISINIORRB-UONOGXRCSA-N 0 3 249.402 3.033 20 0 BGADHN Cc1cc(CN[C@@H]2CCC[C@H]2C(C)(C)C)nn1C ZINC000414535768 385693742 /nfs/dbraw/zinc/69/37/42/385693742.db2.gz MDWXQISINIORRB-ZIAGYGMSSA-N 0 3 249.402 3.033 20 0 BGADHN CCN(Cc1cnn(C(C)C)c1)C1CC(C)(C)C1 ZINC000414536548 385703332 /nfs/dbraw/zinc/70/33/32/385703332.db2.gz NFKHIFZXMZHAHW-UHFFFAOYSA-N 0 3 249.402 3.475 20 0 BGADHN CCN(Cc1ccc(C)nc1)C1CC(C)(C)C1 ZINC000414538829 191531060 /nfs/dbraw/zinc/53/10/60/191531060.db2.gz RHOXYGKRMRGLQX-UHFFFAOYSA-N 0 3 232.371 3.401 20 0 BGADHN CC(C)(C)[C@@H]1CCC[C@@H]1NCc1cscn1 ZINC000414539566 385705959 /nfs/dbraw/zinc/70/59/59/385705959.db2.gz SQZKKQMMABJNNN-NEPJUHHUSA-N 0 3 238.400 3.448 20 0 BGADHN CC(C)(C)[C@H]1CCC[C@H]1NCc1cscn1 ZINC000414539568 385706248 /nfs/dbraw/zinc/70/62/48/385706248.db2.gz SQZKKQMMABJNNN-NWDGAFQWSA-N 0 3 238.400 3.448 20 0 BGADHN CC(C)(C)[C@H]1CCC[C@@H]1NCc1cscn1 ZINC000414539569 385705404 /nfs/dbraw/zinc/70/54/04/385705404.db2.gz SQZKKQMMABJNNN-RYUDHWBXSA-N 0 3 238.400 3.448 20 0 BGADHN CC(C)(C)[C@@H]1CCC[C@H]1NCc1cscn1 ZINC000414539571 385705328 /nfs/dbraw/zinc/70/53/28/385705328.db2.gz SQZKKQMMABJNNN-VXGBXAGGSA-N 0 3 238.400 3.448 20 0 BGADHN Cc1cnc(CN[C@@H]2CCC[C@H]2C(C)(C)C)n1C ZINC000414539996 385705977 /nfs/dbraw/zinc/70/59/77/385705977.db2.gz TUEXGBMECNMXRE-CHWSQXEVSA-N 0 3 249.402 3.033 20 0 BGADHN Cc1cnc(CN[C@H]2CCC[C@H]2C(C)(C)C)n1C ZINC000414539998 385705547 /nfs/dbraw/zinc/70/55/47/385705547.db2.gz TUEXGBMECNMXRE-OLZOCXBDSA-N 0 3 249.402 3.033 20 0 BGADHN Cc1cnc(CN[C@@H]2CCC[C@@H]2C(C)(C)C)n1C ZINC000414540000 385706130 /nfs/dbraw/zinc/70/61/30/385706130.db2.gz TUEXGBMECNMXRE-QWHCGFSZSA-N 0 3 249.402 3.033 20 0 BGADHN Cc1cnc(CN[C@H]2CCC[C@@H]2C(C)(C)C)n1C ZINC000414540001 385705529 /nfs/dbraw/zinc/70/55/29/385705529.db2.gz TUEXGBMECNMXRE-STQMWFEESA-N 0 3 249.402 3.033 20 0 BGADHN CCN(Cc1cncs1)C1CC(C)(C)C1 ZINC000414540350 385707252 /nfs/dbraw/zinc/70/72/52/385707252.db2.gz UONBYRQEZQGKRG-UHFFFAOYSA-N 0 3 224.373 3.154 20 0 BGADHN CCCn1cc(CN(CC)C2CC(C)(C)C2)cn1 ZINC000414540717 385707286 /nfs/dbraw/zinc/70/72/86/385707286.db2.gz UZTWVCPEUAHXNH-UHFFFAOYSA-N 0 3 249.402 3.304 20 0 BGADHN CCN(Cc1c(C)n[nH]c1C)C1CC(C)(C)C1 ZINC000414541020 385710151 /nfs/dbraw/zinc/71/01/51/385710151.db2.gz VNFLCMWKHIJZPI-UHFFFAOYSA-N 0 3 235.375 3.037 20 0 BGADHN CC[N@@H+](Cc1nc(C)ccc1[O-])C1CC(C)(C)C1 ZINC000414541655 385710961 /nfs/dbraw/zinc/71/09/61/385710961.db2.gz WRPBRWJXRWMURB-UHFFFAOYSA-N 0 3 248.370 3.106 20 0 BGADHN CC[N@H+](Cc1nc(C)ccc1[O-])C1CC(C)(C)C1 ZINC000414541655 385710958 /nfs/dbraw/zinc/71/09/58/385710958.db2.gz WRPBRWJXRWMURB-UHFFFAOYSA-N 0 3 248.370 3.106 20 0 BGADHN Cc1cc(CN[C@@H]2CCC[C@H]2C(C)(C)C)no1 ZINC000414542352 385711942 /nfs/dbraw/zinc/71/19/42/385711942.db2.gz YAEIOQWQRJRZLW-CHWSQXEVSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1cc(CN[C@H]2CCC[C@H]2C(C)(C)C)no1 ZINC000414542353 385713212 /nfs/dbraw/zinc/71/32/12/385713212.db2.gz YAEIOQWQRJRZLW-OLZOCXBDSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1cc(CN[C@@H]2CCC[C@@H]2C(C)(C)C)no1 ZINC000414542354 385712668 /nfs/dbraw/zinc/71/26/68/385712668.db2.gz YAEIOQWQRJRZLW-QWHCGFSZSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1cc(CN[C@H]2CCC[C@@H]2C(C)(C)C)no1 ZINC000414542355 385712342 /nfs/dbraw/zinc/71/23/42/385712342.db2.gz YAEIOQWQRJRZLW-STQMWFEESA-N 0 3 236.359 3.287 20 0 BGADHN CCc1ncc(CN(CC)C2CC(C)(C)C2)cn1 ZINC000414543591 385717798 /nfs/dbraw/zinc/71/77/98/385717798.db2.gz ZZPRDVJKYYJSGB-UHFFFAOYSA-N 0 3 247.386 3.050 20 0 BGADHN CCN(Cc1occc1C)C[C@@H]1C[C@H]1C ZINC000414548208 385726929 /nfs/dbraw/zinc/72/69/29/385726929.db2.gz JKHGWDBUSWULKM-NEPJUHHUSA-N 0 3 207.317 3.066 20 0 BGADHN CCN(Cc1occc1C)C[C@H]1C[C@@H]1C ZINC000414548209 385726908 /nfs/dbraw/zinc/72/69/08/385726908.db2.gz JKHGWDBUSWULKM-NWDGAFQWSA-N 0 3 207.317 3.066 20 0 BGADHN CCN(Cc1occc1C)C[C@@H]1C[C@@H]1C ZINC000414548210 385727146 /nfs/dbraw/zinc/72/71/46/385727146.db2.gz JKHGWDBUSWULKM-RYUDHWBXSA-N 0 3 207.317 3.066 20 0 BGADHN CCN(Cc1occc1C)C[C@H]1C[C@H]1C ZINC000414548211 385726565 /nfs/dbraw/zinc/72/65/65/385726565.db2.gz JKHGWDBUSWULKM-VXGBXAGGSA-N 0 3 207.317 3.066 20 0 BGADHN CCN(Cc1occc1C)C[C@H]1CCSC1 ZINC000414548835 385721573 /nfs/dbraw/zinc/72/15/73/385721573.db2.gz KXBYEUPMSIZCNW-GFCCVEGCSA-N 0 3 239.384 3.163 20 0 BGADHN CCN(Cc1occc1C)C[C@@H]1CCSC1 ZINC000414548838 385722734 /nfs/dbraw/zinc/72/27/34/385722734.db2.gz KXBYEUPMSIZCNW-LBPRGKRZSA-N 0 3 239.384 3.163 20 0 BGADHN CCN(Cc1occc1C)CC(C)(C)COC ZINC000414549590 385731367 /nfs/dbraw/zinc/73/13/67/385731367.db2.gz LPAUWJJZTSCHOJ-UHFFFAOYSA-N 0 3 239.359 3.083 20 0 BGADHN Cc1ccoc1CNCC(C)(C)c1cccnc1 ZINC000414553424 385746974 /nfs/dbraw/zinc/74/69/74/385746974.db2.gz FOKWTWPTILUSLC-UHFFFAOYSA-N 0 3 244.338 3.050 20 0 BGADHN Cc1occc1CNCC(C)(C)c1cccnc1 ZINC000414553849 191533537 /nfs/dbraw/zinc/53/35/37/191533537.db2.gz GFHAHOVBQCZIMI-UHFFFAOYSA-N 0 3 244.338 3.050 20 0 BGADHN CCN(Cc1occc1C)CC1(SC)CC1 ZINC000414557003 385767443 /nfs/dbraw/zinc/76/74/43/385767443.db2.gz ZFYDJSOZAIHPAS-UHFFFAOYSA-N 0 3 239.384 3.306 20 0 BGADHN Fc1ccc(CN[C@@H]2C[C@H]2c2ccco2)cc1F ZINC000414562877 385808955 /nfs/dbraw/zinc/80/89/55/385808955.db2.gz BKQTUELYRDTKPO-ZWNOBZJWSA-N 0 3 249.260 3.204 20 0 BGADHN Cc1cc(F)ccc1CN[C@@H]1C[C@H]1c1ccco1 ZINC000414563523 385812509 /nfs/dbraw/zinc/81/25/09/385812509.db2.gz BXVKXOYHBRSKGQ-ZIAGYGMSSA-N 0 3 245.297 3.373 20 0 BGADHN C(=C/c1ccccc1)\CN[C@@H]1C[C@H]1c1ccco1 ZINC000414563549 385812845 /nfs/dbraw/zinc/81/28/45/385812845.db2.gz BZJSIOORRUDESG-GMLRFVCHSA-N 0 3 239.318 3.439 20 0 BGADHN C(=C\c1ccccc1)\CN[C@@H]1C[C@H]1c1ccco1 ZINC000414563551 191535059 /nfs/dbraw/zinc/53/50/59/191535059.db2.gz BZJSIOORRUDESG-JFCGUDLGSA-N 0 3 239.318 3.439 20 0 BGADHN Cc1ccc(CNCC(C)(C)c2cccnc2)o1 ZINC000414565507 397966575 /nfs/dbraw/zinc/96/65/75/397966575.db2.gz YRPIDRMUEBDRJE-UHFFFAOYSA-N 0 3 244.338 3.050 20 0 BGADHN Cc1ccc(F)cc1CN[C@@H]1C[C@H]1c1ccco1 ZINC000414575878 385843782 /nfs/dbraw/zinc/84/37/82/385843782.db2.gz FOHCWJRTOZZWTN-ZIAGYGMSSA-N 0 3 245.297 3.373 20 0 BGADHN Cc1cccc(CN[C@@H]2C[C@H]2c2ccco2)c1F ZINC000414576396 385840627 /nfs/dbraw/zinc/84/06/27/385840627.db2.gz FYIRLWSQNGYFFX-CHWSQXEVSA-N 0 3 245.297 3.373 20 0 BGADHN Cc1ccsc1CN[C@@H]1C[C@H]1c1ccco1 ZINC000414576451 385842081 /nfs/dbraw/zinc/84/20/81/385842081.db2.gz GILDXBDBQODBBL-GHMZBOCLSA-N 0 3 233.336 3.295 20 0 BGADHN Cc1ccc(F)c(CN[C@@H]2C[C@H]2c2ccco2)c1 ZINC000414579543 397973564 /nfs/dbraw/zinc/97/35/64/397973564.db2.gz JDCNONBCOJUECT-TZMCWYRMSA-N 0 3 245.297 3.373 20 0 BGADHN Cc1ccccc1CN[C@@H]1C[C@H]1c1ccco1 ZINC000414581015 397974252 /nfs/dbraw/zinc/97/42/52/397974252.db2.gz KATVYZCEFJFMTB-ZIAGYGMSSA-N 0 3 227.307 3.234 20 0 BGADHN Fc1ccc(CN[C@@H]2C[C@H]2c2ccco2)cc1 ZINC000414581168 385851048 /nfs/dbraw/zinc/85/10/48/385851048.db2.gz KKGKFKKHNJJTLM-CHWSQXEVSA-N 0 3 231.270 3.064 20 0 BGADHN Cc1cc(CN[C@@H]2C[C@H]2c2ccco2)cs1 ZINC000414581754 385854929 /nfs/dbraw/zinc/85/49/29/385854929.db2.gz KOHNRBZVTYPBGZ-VXGBXAGGSA-N 0 3 233.336 3.295 20 0 BGADHN CCc1ccc(CN[C@@H]2C[C@H]2c2ccco2)cc1 ZINC000414581786 385855012 /nfs/dbraw/zinc/85/50/12/385855012.db2.gz KQLFNNPIVNZBBZ-HUUCEWRRSA-N 0 3 241.334 3.488 20 0 BGADHN Cc1ccc(CN[C@@H]2C[C@H]2c2ccco2)cc1 ZINC000414583461 385859182 /nfs/dbraw/zinc/85/91/82/385859182.db2.gz MDRMGGIPVWACTF-ZIAGYGMSSA-N 0 3 227.307 3.234 20 0 BGADHN Cc1cccc(CN[C@@H]2C[C@H]2c2ccco2)c1 ZINC000414583772 385858275 /nfs/dbraw/zinc/85/82/75/385858275.db2.gz MEVSRMVFUUMECX-ZIAGYGMSSA-N 0 3 227.307 3.234 20 0 BGADHN Cc1cc(CN[C@@H]2C[C@H]2c2ccco2)ccc1F ZINC000414585071 385864810 /nfs/dbraw/zinc/86/48/10/385864810.db2.gz NPHYBLIEIRAZIL-TZMCWYRMSA-N 0 3 245.297 3.373 20 0 BGADHN Cc1sccc1CN[C@@H]1C[C@H]1c1ccco1 ZINC000414586628 385862735 /nfs/dbraw/zinc/86/27/35/385862735.db2.gz OZKAPJBDYPPZEL-VXGBXAGGSA-N 0 3 233.336 3.295 20 0 BGADHN Cc1ccc(CN[C@@H]2C[C@H]2c2ccco2)s1 ZINC000414596520 385896408 /nfs/dbraw/zinc/89/64/08/385896408.db2.gz UTNYZLOVKCHEEG-VXGBXAGGSA-N 0 3 233.336 3.295 20 0 BGADHN Fc1cccc(CN[C@@H]2C[C@H]2c2ccco2)c1 ZINC000414596535 385895941 /nfs/dbraw/zinc/89/59/41/385895941.db2.gz UYKZVDHZXMEUTJ-CHWSQXEVSA-N 0 3 231.270 3.064 20 0 BGADHN Cc1ccc(CN[C@@H]2C[C@H]2c2ccco2)cc1F ZINC000414597613 385901687 /nfs/dbraw/zinc/90/16/87/385901687.db2.gz WOJRRVZGDGSOPF-TZMCWYRMSA-N 0 3 245.297 3.373 20 0 BGADHN Fc1cc(F)cc(CN[C@@H]2C[C@H]2c2ccco2)c1 ZINC000414598383 385900089 /nfs/dbraw/zinc/90/00/89/385900089.db2.gz YCIGRPCUUMHBMD-CHWSQXEVSA-N 0 3 249.260 3.204 20 0 BGADHN Fc1ccccc1CN[C@@H]1C[C@H]1c1ccco1 ZINC000414599105 385902714 /nfs/dbraw/zinc/90/27/14/385902714.db2.gz ZCMNMQPNNQVJGJ-DGCLKSJQSA-N 0 3 231.270 3.064 20 0 BGADHN Cc1cccc(CNCc2cc(C)cc(N)c2)c1 ZINC000414961891 191633992 /nfs/dbraw/zinc/63/39/92/191633992.db2.gz IXYFSGDPSZXUHG-UHFFFAOYSA-N 0 3 240.350 3.175 20 0 BGADHN Cc1cc(N)cc(CNCc2ccccc2C)c1 ZINC000414962508 385894642 /nfs/dbraw/zinc/89/46/42/385894642.db2.gz JTIZNVHSRAHZCW-UHFFFAOYSA-N 0 3 240.350 3.175 20 0 BGADHN Cc1ccsc1CNCc1cc(C)cc(N)c1 ZINC000414973313 385990031 /nfs/dbraw/zinc/99/00/31/385990031.db2.gz ZFHOYORSSWVNNW-UHFFFAOYSA-N 0 3 246.379 3.237 20 0 BGADHN Cc1ccc(CNCc2cc(C)cc(N)c2)s1 ZINC000414973361 385989794 /nfs/dbraw/zinc/98/97/94/385989794.db2.gz ZJTHCKSIVKYTBY-UHFFFAOYSA-N 0 3 246.379 3.237 20 0 BGADHN Cc1ccc(CNCc2cc(C)cc(N)c2)cc1 ZINC000414973524 385992550 /nfs/dbraw/zinc/99/25/50/385992550.db2.gz ZUDUVRHYWGGSEO-UHFFFAOYSA-N 0 3 240.350 3.175 20 0 BGADHN CNCc1nc(C2CCCCCC2)cs1 ZINC000416403269 386296287 /nfs/dbraw/zinc/29/62/87/386296287.db2.gz RLYZMIMMKILYNF-UHFFFAOYSA-N 0 3 224.373 3.300 20 0 BGADHN CC(C)(C)Cc1csc(C2(N)CCCC2)n1 ZINC000416403660 386295379 /nfs/dbraw/zinc/29/53/79/386295379.db2.gz STJFBYJHPFBCAE-UHFFFAOYSA-N 0 3 238.400 3.460 20 0 BGADHN CCNCc1nc(CCc2ccccc2)cs1 ZINC000416404259 386295416 /nfs/dbraw/zinc/29/54/16/386295416.db2.gz WCWSYQUFKZAICX-UHFFFAOYSA-N 0 3 246.379 3.038 20 0 BGADHN CCNCc1nc(CC(C)(C)C2CC2)cs1 ZINC000416404858 386295567 /nfs/dbraw/zinc/29/55/67/386295567.db2.gz YCBIETNJUWZZCA-UHFFFAOYSA-N 0 3 238.400 3.231 20 0 BGADHN C[C@@H](NC[C@H]1CC12CC2)c1ccc(Cl)cn1 ZINC000417331511 386502150 /nfs/dbraw/zinc/50/21/50/386502150.db2.gz BYGCDNJYJIOABC-NXEZZACHSA-N 0 3 236.746 3.186 20 0 BGADHN C[C@H](NC[C@@H]1CC12CC2)c1ccc(Cl)cn1 ZINC000417331514 386501814 /nfs/dbraw/zinc/50/18/14/386501814.db2.gz BYGCDNJYJIOABC-UWVGGRQHSA-N 0 3 236.746 3.186 20 0 BGADHN C[C@H](NC[C@H]1CC12CC2)c1ccc(Cl)cn1 ZINC000417331515 386500803 /nfs/dbraw/zinc/50/08/03/386500803.db2.gz BYGCDNJYJIOABC-VHSXEESVSA-N 0 3 236.746 3.186 20 0 BGADHN C[C@@H](NC[C@@H]1CC12CC2)c1ccc(Cl)cn1 ZINC000417331516 386501091 /nfs/dbraw/zinc/50/10/91/386501091.db2.gz BYGCDNJYJIOABC-ZJUUUORDSA-N 0 3 236.746 3.186 20 0 BGADHN C[C@@H](NC[C@H]1CC12CC2)c1cccc(F)c1F ZINC000417332282 386501661 /nfs/dbraw/zinc/50/16/61/386501661.db2.gz DBMNDKXWHNVADL-NXEZZACHSA-N 0 3 237.293 3.416 20 0 BGADHN C[C@H](NC[C@@H]1CC12CC2)c1cccc(F)c1F ZINC000417332283 386501281 /nfs/dbraw/zinc/50/12/81/386501281.db2.gz DBMNDKXWHNVADL-UWVGGRQHSA-N 0 3 237.293 3.416 20 0 BGADHN C[C@H](NC[C@H]1CC12CC2)c1cccc(F)c1F ZINC000417332284 386502260 /nfs/dbraw/zinc/50/22/60/386502260.db2.gz DBMNDKXWHNVADL-VHSXEESVSA-N 0 3 237.293 3.416 20 0 BGADHN C[C@@H](NC[C@@H]1CC12CC2)c1cccc(F)c1F ZINC000417332285 386501217 /nfs/dbraw/zinc/50/12/17/386501217.db2.gz DBMNDKXWHNVADL-ZJUUUORDSA-N 0 3 237.293 3.416 20 0 BGADHN CCc1ccc([C@@H](C)NC[C@H]2CC23CC3)o1 ZINC000417332615 386501886 /nfs/dbraw/zinc/50/18/86/386501886.db2.gz DFCDJSRCSYZJOS-GHMZBOCLSA-N 0 3 219.328 3.293 20 0 BGADHN CCc1ccc([C@@H](C)NC[C@@H]2CC23CC3)o1 ZINC000417332616 386501749 /nfs/dbraw/zinc/50/17/49/386501749.db2.gz DFCDJSRCSYZJOS-MNOVXSKESA-N 0 3 219.328 3.293 20 0 BGADHN CCc1ccc([C@H](C)NC[C@@H]2CC23CC3)o1 ZINC000417332617 386501258 /nfs/dbraw/zinc/50/12/58/386501258.db2.gz DFCDJSRCSYZJOS-QWRGUYRKSA-N 0 3 219.328 3.293 20 0 BGADHN CCc1ccc([C@H](C)NC[C@H]2CC23CC3)o1 ZINC000417332618 191794566 /nfs/dbraw/zinc/79/45/66/191794566.db2.gz DFCDJSRCSYZJOS-WDEREUQCSA-N 0 3 219.328 3.293 20 0 BGADHN Cc1cc([C@H](C)NC[C@H]2CC23CC3)oc1C ZINC000417335874 191794845 /nfs/dbraw/zinc/79/48/45/191794845.db2.gz JDOSJACUAQOKQL-CMPLNLGQSA-N 0 3 219.328 3.347 20 0 BGADHN Cc1cc([C@H](C)NC[C@@H]2CC23CC3)oc1C ZINC000417335879 191794863 /nfs/dbraw/zinc/79/48/63/191794863.db2.gz JDOSJACUAQOKQL-JQWIXIFHSA-N 0 3 219.328 3.347 20 0 BGADHN Cc1cc([C@@H](C)NC[C@@H]2CC23CC3)oc1C ZINC000417335881 191794701 /nfs/dbraw/zinc/79/47/01/191794701.db2.gz JDOSJACUAQOKQL-PWSUYJOCSA-N 0 3 219.328 3.347 20 0 BGADHN Cc1cc([C@@H](C)NC[C@H]2CC23CC3)oc1C ZINC000417335883 386504866 /nfs/dbraw/zinc/50/48/66/386504866.db2.gz JDOSJACUAQOKQL-ZYHUDNBSSA-N 0 3 219.328 3.347 20 0 BGADHN CC[C@@H]1CC[C@@H]1N[C@@H]1COCc2ccccc21 ZINC000417341025 386482578 /nfs/dbraw/zinc/48/25/78/386482578.db2.gz BFLZLNHQQKECJG-BYCMXARLSA-N 0 3 231.339 3.036 20 0 BGADHN CC[C@@H]1CC[C@H]1N[C@H]1COCc2ccccc21 ZINC000417341026 386482740 /nfs/dbraw/zinc/48/27/40/386482740.db2.gz BFLZLNHQQKECJG-DFBGVHRSSA-N 0 3 231.339 3.036 20 0 BGADHN CC[C@@H]1CC[C@H]1N[C@@H]1COCc2ccccc21 ZINC000417341027 386482646 /nfs/dbraw/zinc/48/26/46/386482646.db2.gz BFLZLNHQQKECJG-KCPJHIHWSA-N 0 3 231.339 3.036 20 0 BGADHN CC[C@@H]1CC[C@@H]1N[C@H]1COCc2ccccc21 ZINC000417341028 386483664 /nfs/dbraw/zinc/48/36/64/386483664.db2.gz BFLZLNHQQKECJG-UGFHNGPFSA-N 0 3 231.339 3.036 20 0 BGADHN Cc1ccc([C@@H](C)NC[C@H]2CC23CC3)o1 ZINC000417342171 191789219 /nfs/dbraw/zinc/78/92/19/191789219.db2.gz CHUFWHDERSUGIX-GHMZBOCLSA-N 0 3 205.301 3.039 20 0 BGADHN Cc1ccc([C@@H](C)NC[C@@H]2CC23CC3)o1 ZINC000417342172 386483143 /nfs/dbraw/zinc/48/31/43/386483143.db2.gz CHUFWHDERSUGIX-MNOVXSKESA-N 0 3 205.301 3.039 20 0 BGADHN Cc1ccc([C@H](C)NC[C@@H]2CC23CC3)o1 ZINC000417342173 386483646 /nfs/dbraw/zinc/48/36/46/386483646.db2.gz CHUFWHDERSUGIX-QWRGUYRKSA-N 0 3 205.301 3.039 20 0 BGADHN Cc1ccc([C@H](C)NC[C@H]2CC23CC3)o1 ZINC000417342175 386483184 /nfs/dbraw/zinc/48/31/84/386483184.db2.gz CHUFWHDERSUGIX-WDEREUQCSA-N 0 3 205.301 3.039 20 0 BGADHN Fc1ccc(F)c2c1CC[C@H]2NC[C@H]1CC12CC2 ZINC000417345634 386485135 /nfs/dbraw/zinc/48/51/35/386485135.db2.gz YDJOMMLARIOPPA-NOZJJQNGSA-N 0 3 249.304 3.342 20 0 BGADHN Fc1ccc(F)c2c1CC[C@@H]2NC[C@H]1CC12CC2 ZINC000417345635 386485603 /nfs/dbraw/zinc/48/56/03/386485603.db2.gz YDJOMMLARIOPPA-RNCFNFMXSA-N 0 3 249.304 3.342 20 0 BGADHN Fc1ccc(F)c2c1CC[C@H]2NC[C@@H]1CC12CC2 ZINC000417345636 386485194 /nfs/dbraw/zinc/48/51/94/386485194.db2.gz YDJOMMLARIOPPA-TVQRCGJNSA-N 0 3 249.304 3.342 20 0 BGADHN Fc1ccc(F)c2c1CC[C@@H]2NC[C@@H]1CC12CC2 ZINC000417345637 386485906 /nfs/dbraw/zinc/48/59/06/386485906.db2.gz YDJOMMLARIOPPA-ZANVPECISA-N 0 3 249.304 3.342 20 0 BGADHN CC(C)c1ccc([C@H](C)N[C@H]2C[C@@](C)(O)C2)cc1 ZINC000417352780 386490293 /nfs/dbraw/zinc/49/02/93/386490293.db2.gz GZABUZAOPAJXFN-VBNZEHGJSA-N 0 3 247.382 3.374 20 0 BGADHN CC(C)c1ccc([C@@H](C)N[C@H]2C[C@@](C)(O)C2)cc1 ZINC000417352781 386490160 /nfs/dbraw/zinc/49/01/60/386490160.db2.gz GZABUZAOPAJXFN-WQVCFCJDSA-N 0 3 247.382 3.374 20 0 BGADHN CC(C)[C@@H]1CC[C@@H]1N[C@H]1COCc2ccccc21 ZINC000417358011 487925067 /nfs/dbraw/zinc/92/50/67/487925067.db2.gz HAOMORXNZAHGRE-BPUTZDHNSA-N 0 3 245.366 3.282 20 0 BGADHN CC(C)[C@@H]1CC[C@@H]1N[C@@H]1COCc2ccccc21 ZINC000417358014 487925127 /nfs/dbraw/zinc/92/51/27/487925127.db2.gz HAOMORXNZAHGRE-CWRNSKLLSA-N 0 3 245.366 3.282 20 0 BGADHN CC(C)[C@@H]1CC[C@H]1N[C@H]1COCc2ccccc21 ZINC000417358015 487925357 /nfs/dbraw/zinc/92/53/57/487925357.db2.gz HAOMORXNZAHGRE-IMJJTQAJSA-N 0 3 245.366 3.282 20 0 BGADHN CC(C)[C@@H]1CC[C@H]1N[C@@H]1COCc2ccccc21 ZINC000417358016 487924835 /nfs/dbraw/zinc/92/48/35/487924835.db2.gz HAOMORXNZAHGRE-NUEKZKHPSA-N 0 3 245.366 3.282 20 0 BGADHN c1ccc2c(c1)COC[C@@H]2N[C@H]1CC[C@H]1C1CC1 ZINC000417358508 487925011 /nfs/dbraw/zinc/92/50/11/487925011.db2.gz HOMSIMSEBFUTCG-JYJNAYRXSA-N 0 3 243.350 3.036 20 0 BGADHN c1ccc2c(c1)COC[C@@H]2N[C@@H]1CC[C@@H]1C1CC1 ZINC000417358512 487925155 /nfs/dbraw/zinc/92/51/55/487925155.db2.gz HOMSIMSEBFUTCG-OAGGEKHMSA-N 0 3 243.350 3.036 20 0 BGADHN c1ccc2c(c1)COC[C@@H]2N[C@H]1CC[C@@H]1C1CC1 ZINC000417358515 487924870 /nfs/dbraw/zinc/92/48/70/487924870.db2.gz HOMSIMSEBFUTCG-PMPSAXMXSA-N 0 3 243.350 3.036 20 0 BGADHN c1ccc2c(c1)COC[C@@H]2N[C@@H]1CC[C@H]1C1CC1 ZINC000417358521 487925144 /nfs/dbraw/zinc/92/51/44/487925144.db2.gz HOMSIMSEBFUTCG-XHSDSOJGSA-N 0 3 243.350 3.036 20 0 BGADHN CO[C@@H](CN[C@H](C)c1ccc(C)o1)CC(C)C ZINC000417361833 386559611 /nfs/dbraw/zinc/55/96/11/386559611.db2.gz KSFOMGOTZKSWMD-CHWSQXEVSA-N 0 3 239.359 3.300 20 0 BGADHN CO[C@H](CN[C@H](C)c1ccc(C)o1)CC(C)C ZINC000417361842 386558278 /nfs/dbraw/zinc/55/82/78/386558278.db2.gz KSFOMGOTZKSWMD-OLZOCXBDSA-N 0 3 239.359 3.300 20 0 BGADHN CO[C@@H](CN[C@@H](C)c1ccc(C)o1)CC(C)C ZINC000417361844 191798787 /nfs/dbraw/zinc/79/87/87/191798787.db2.gz KSFOMGOTZKSWMD-QWHCGFSZSA-N 0 3 239.359 3.300 20 0 BGADHN C[C@@H](N[C@H]1CCOC1)c1ccc(C2CC2)cc1 ZINC000417361845 386558555 /nfs/dbraw/zinc/55/85/55/386558555.db2.gz ZFQYMMRDCSWCGG-ABAIWWIYSA-N 0 3 231.339 3.004 20 0 BGADHN CO[C@H](CN[C@@H](C)c1ccc(C)o1)CC(C)C ZINC000417361846 386558258 /nfs/dbraw/zinc/55/82/58/386558258.db2.gz KSFOMGOTZKSWMD-STQMWFEESA-N 0 3 239.359 3.300 20 0 BGADHN C[C@@H](N[C@@H]1CCOC1)c1ccc(C2CC2)cc1 ZINC000417361849 191798486 /nfs/dbraw/zinc/79/84/86/191798486.db2.gz ZFQYMMRDCSWCGG-IAQYHMDHSA-N 0 3 231.339 3.004 20 0 BGADHN C[C@H](N[C@H]1CCOC1)c1ccc(C2CC2)cc1 ZINC000417361850 386557896 /nfs/dbraw/zinc/55/78/96/386557896.db2.gz ZFQYMMRDCSWCGG-NHYWBVRUSA-N 0 3 231.339 3.004 20 0 BGADHN C[C@H](N[C@@H]1CCOC1)c1ccc(C2CC2)cc1 ZINC000417361851 386559023 /nfs/dbraw/zinc/55/90/23/386559023.db2.gz ZFQYMMRDCSWCGG-XHDPSFHLSA-N 0 3 231.339 3.004 20 0 BGADHN C[C@@H](N[C@@H]1COCc2ccccc21)C1(C)CC1 ZINC000417362999 386578350 /nfs/dbraw/zinc/57/83/50/386578350.db2.gz LPVBCZZJVWFKHW-BXUZGUMPSA-N 0 3 231.339 3.036 20 0 BGADHN C[C@H](N[C@H]1COCc2ccccc21)C1(C)CC1 ZINC000417363001 386576531 /nfs/dbraw/zinc/57/65/31/386576531.db2.gz LPVBCZZJVWFKHW-FZMZJTMJSA-N 0 3 231.339 3.036 20 0 BGADHN C[C@@H](N[C@H]1COCc2ccccc21)C1(C)CC1 ZINC000417363002 386577101 /nfs/dbraw/zinc/57/71/01/386577101.db2.gz LPVBCZZJVWFKHW-RISCZKNCSA-N 0 3 231.339 3.036 20 0 BGADHN C[C@H](N[C@@H]1COCc2ccccc21)C1(C)CC1 ZINC000417363003 386578100 /nfs/dbraw/zinc/57/81/00/386578100.db2.gz LPVBCZZJVWFKHW-SMDDNHRTSA-N 0 3 231.339 3.036 20 0 BGADHN CC(C)C1CC(N[C@H]2COCc3ccccc32)C1 ZINC000417364997 386582218 /nfs/dbraw/zinc/58/22/18/386582218.db2.gz NISAGKUBAXNWLM-XUJLQICISA-N 0 3 245.366 3.282 20 0 BGADHN CC(C)C1CC(N[C@@H]2COCc3ccccc32)C1 ZINC000417364998 386580858 /nfs/dbraw/zinc/58/08/58/386580858.db2.gz NISAGKUBAXNWLM-ZBCRRDGASA-N 0 3 245.366 3.282 20 0 BGADHN C[C@@H](NC[C@H]1CC12CC2)c1ccc(F)cc1F ZINC000417365092 386579898 /nfs/dbraw/zinc/57/98/98/386579898.db2.gz NNTWGNDCSCMYQK-NXEZZACHSA-N 0 3 237.293 3.416 20 0 BGADHN C[C@H](NC[C@@H]1CC12CC2)c1ccc(F)cc1F ZINC000417365093 386580034 /nfs/dbraw/zinc/58/00/34/386580034.db2.gz NNTWGNDCSCMYQK-UWVGGRQHSA-N 0 3 237.293 3.416 20 0 BGADHN C[C@H](NC[C@H]1CC12CC2)c1ccc(F)cc1F ZINC000417365094 386582335 /nfs/dbraw/zinc/58/23/35/386582335.db2.gz NNTWGNDCSCMYQK-VHSXEESVSA-N 0 3 237.293 3.416 20 0 BGADHN C[C@@H](NC[C@@H]1CC12CC2)c1ccc(F)cc1F ZINC000417365096 386582389 /nfs/dbraw/zinc/58/23/89/386582389.db2.gz NNTWGNDCSCMYQK-ZJUUUORDSA-N 0 3 237.293 3.416 20 0 BGADHN COc1ccc([C@@H](C)NC[C@H]2CC23CC3)c(F)c1 ZINC000417365537 386589076 /nfs/dbraw/zinc/58/90/76/386589076.db2.gz NSGCMAFNBWOJRF-GHMZBOCLSA-N 0 3 249.329 3.285 20 0 BGADHN COc1ccc([C@@H](C)NC[C@@H]2CC23CC3)c(F)c1 ZINC000417365539 386589118 /nfs/dbraw/zinc/58/91/18/386589118.db2.gz NSGCMAFNBWOJRF-MNOVXSKESA-N 0 3 249.329 3.285 20 0 BGADHN COc1ccc([C@H](C)NC[C@@H]2CC23CC3)c(F)c1 ZINC000417365541 386591626 /nfs/dbraw/zinc/59/16/26/386591626.db2.gz NSGCMAFNBWOJRF-QWRGUYRKSA-N 0 3 249.329 3.285 20 0 BGADHN COc1ccc([C@H](C)NC[C@H]2CC23CC3)c(F)c1 ZINC000417365543 386591341 /nfs/dbraw/zinc/59/13/41/386591341.db2.gz NSGCMAFNBWOJRF-WDEREUQCSA-N 0 3 249.329 3.285 20 0 BGADHN C[C@@H](NC[C@H]1CC12CC2)c1cc(F)ccc1F ZINC000417366041 386608146 /nfs/dbraw/zinc/60/81/46/386608146.db2.gz OLLGIQKKPRLSJG-NXEZZACHSA-N 0 3 237.293 3.416 20 0 BGADHN C[C@H](NC[C@@H]1CC12CC2)c1cc(F)ccc1F ZINC000417366055 386607725 /nfs/dbraw/zinc/60/77/25/386607725.db2.gz OLLGIQKKPRLSJG-UWVGGRQHSA-N 0 3 237.293 3.416 20 0 BGADHN C[C@H](NC[C@H]1CC12CC2)c1cc(F)ccc1F ZINC000417366057 386607931 /nfs/dbraw/zinc/60/79/31/386607931.db2.gz OLLGIQKKPRLSJG-VHSXEESVSA-N 0 3 237.293 3.416 20 0 BGADHN C[C@@H](NC[C@@H]1CC12CC2)c1cc(F)ccc1F ZINC000417366059 386606168 /nfs/dbraw/zinc/60/61/68/386606168.db2.gz OLLGIQKKPRLSJG-ZJUUUORDSA-N 0 3 237.293 3.416 20 0 BGADHN CO[C@H](CN[C@@H](C)c1ccsc1)CC(C)C ZINC000417366259 386601468 /nfs/dbraw/zinc/60/14/68/386601468.db2.gz NFXYDTRLVXMLDF-AAEUAGOBSA-N 0 3 241.400 3.460 20 0 BGADHN CO[C@@H](CN[C@H](C)c1ccsc1)CC(C)C ZINC000417366270 386601177 /nfs/dbraw/zinc/60/11/77/386601177.db2.gz NFXYDTRLVXMLDF-DGCLKSJQSA-N 0 3 241.400 3.460 20 0 BGADHN CO[C@@H](CN[C@@H](C)c1ccsc1)CC(C)C ZINC000417366272 386600918 /nfs/dbraw/zinc/60/09/18/386600918.db2.gz NFXYDTRLVXMLDF-WCQYABFASA-N 0 3 241.400 3.460 20 0 BGADHN CO[C@H](CN[C@H](C)c1ccsc1)CC(C)C ZINC000417366273 386601786 /nfs/dbraw/zinc/60/17/86/386601786.db2.gz NFXYDTRLVXMLDF-YPMHNXCESA-N 0 3 241.400 3.460 20 0 BGADHN CCC[C@H](N[C@H](C)c1ccn(C)n1)[C@H]1CC1(C)C ZINC000417377146 386647376 /nfs/dbraw/zinc/64/73/76/386647376.db2.gz RUMIXQLDXQMTGA-BZPMIXESSA-N 0 3 249.402 3.286 20 0 BGADHN CCC[C@H](N[C@H](C)c1ccn(C)n1)[C@@H]1CC1(C)C ZINC000417377150 386647040 /nfs/dbraw/zinc/64/70/40/386647040.db2.gz RUMIXQLDXQMTGA-DYEKYZERSA-N 0 3 249.402 3.286 20 0 BGADHN CCC[C@H](N[C@@H](C)c1ccn(C)n1)[C@@H]1CC1(C)C ZINC000417377151 386647401 /nfs/dbraw/zinc/64/74/01/386647401.db2.gz RUMIXQLDXQMTGA-OBJOEFQTSA-N 0 3 249.402 3.286 20 0 BGADHN CCC[C@H](N[C@@H](C)c1ccn(C)n1)[C@H]1CC1(C)C ZINC000417377152 386647729 /nfs/dbraw/zinc/64/77/29/386647729.db2.gz RUMIXQLDXQMTGA-SCRDCRAPSA-N 0 3 249.402 3.286 20 0 BGADHN CCC[C@H](NCc1ccn(CC)n1)[C@@H]1CC1(C)C ZINC000417382322 386687741 /nfs/dbraw/zinc/68/77/41/386687741.db2.gz WIPYFWNGRQXBMU-KBPBESRZSA-N 0 3 249.402 3.207 20 0 BGADHN CCC[C@H](NCc1ccn(CC)n1)[C@H]1CC1(C)C ZINC000417382325 191808746 /nfs/dbraw/zinc/80/87/46/191808746.db2.gz WIPYFWNGRQXBMU-KGLIPLIRSA-N 0 3 249.402 3.207 20 0 BGADHN CCC[C@@H](NCc1ccn(CC)n1)[C@@H]1CC1(C)C ZINC000417382327 386687344 /nfs/dbraw/zinc/68/73/44/386687344.db2.gz WIPYFWNGRQXBMU-UONOGXRCSA-N 0 3 249.402 3.207 20 0 BGADHN CCC[C@@H](NCc1ccn(CC)n1)[C@H]1CC1(C)C ZINC000417382328 386687806 /nfs/dbraw/zinc/68/78/06/386687806.db2.gz WIPYFWNGRQXBMU-ZIAGYGMSSA-N 0 3 249.402 3.207 20 0 BGADHN CC[C@H](N[C@@H](CC)[C@H]1CC1(C)C)c1ccn(C)n1 ZINC000417399979 387021038 /nfs/dbraw/zinc/02/10/38/387021038.db2.gz JAPCFBPMHYTLOT-AGIUHOORSA-N 0 3 249.402 3.286 20 0 BGADHN CC[C@H](N[C@@H](CC)[C@@H]1CC1(C)C)c1ccn(C)n1 ZINC000417399980 387020809 /nfs/dbraw/zinc/02/08/09/387020809.db2.gz JAPCFBPMHYTLOT-AVGNSLFASA-N 0 3 249.402 3.286 20 0 BGADHN CC[C@@H](N[C@@H](CC)c1ccn(C)n1)[C@H]1CC1(C)C ZINC000417399981 387020244 /nfs/dbraw/zinc/02/02/44/387020244.db2.gz JAPCFBPMHYTLOT-UPJWGTAASA-N 0 3 249.402 3.286 20 0 BGADHN CC[C@@H](N[C@@H](CC)c1ccn(C)n1)[C@@H]1CC1(C)C ZINC000417399982 387021116 /nfs/dbraw/zinc/02/11/16/387021116.db2.gz JAPCFBPMHYTLOT-XQQFMLRXSA-N 0 3 249.402 3.286 20 0 BGADHN CCC[C@H](N[C@H]1C[C@@](C)(O)C1)c1ccsc1 ZINC000417400622 387022323 /nfs/dbraw/zinc/02/23/23/387022323.db2.gz KHUAQWKALLVARW-RWMBFGLXSA-N 0 3 239.384 3.092 20 0 BGADHN CCC[C@@H](N[C@H]1C[C@@](C)(O)C1)c1ccsc1 ZINC000417400623 387021726 /nfs/dbraw/zinc/02/17/26/387021726.db2.gz KHUAQWKALLVARW-UPJWGTAASA-N 0 3 239.384 3.092 20 0 BGADHN CC[C@H](N[C@H](C)c1cc(C)n(C)n1)[C@@H]1CC1(C)C ZINC000417401117 387018404 /nfs/dbraw/zinc/01/84/04/387018404.db2.gz KZRMKNNIAAAVRM-AGIUHOORSA-N 0 3 249.402 3.204 20 0 BGADHN CC[C@H](N[C@@H](C)c1cc(C)n(C)n1)[C@@H]1CC1(C)C ZINC000417401120 387018309 /nfs/dbraw/zinc/01/83/09/387018309.db2.gz KZRMKNNIAAAVRM-AVGNSLFASA-N 0 3 249.402 3.204 20 0 BGADHN CC[C@H](N[C@H](C)c1cc(C)n(C)n1)[C@H]1CC1(C)C ZINC000417401122 387018213 /nfs/dbraw/zinc/01/82/13/387018213.db2.gz KZRMKNNIAAAVRM-UPJWGTAASA-N 0 3 249.402 3.204 20 0 BGADHN CC[C@H](N[C@@H](C)c1cc(C)n(C)n1)[C@H]1CC1(C)C ZINC000417401123 387020214 /nfs/dbraw/zinc/02/02/14/387020214.db2.gz KZRMKNNIAAAVRM-XQQFMLRXSA-N 0 3 249.402 3.204 20 0 BGADHN C[C@H](N[C@H]1C[C@@](C)(O)C1)c1cccc(C2CC2)c1 ZINC000417401611 387039678 /nfs/dbraw/zinc/03/96/78/387039678.db2.gz LRSGZGIAEZBFEI-KNXALSJPSA-N 0 3 245.366 3.128 20 0 BGADHN C[C@@H](N[C@H]1C[C@@](C)(O)C1)c1cccc(C2CC2)c1 ZINC000417401612 387038593 /nfs/dbraw/zinc/03/85/93/387038593.db2.gz LRSGZGIAEZBFEI-LYRGGWFBSA-N 0 3 245.366 3.128 20 0 BGADHN CC[C@H](N[C@H](C)c1nccnc1C)[C@@H]1CC1(C)C ZINC000417409563 398221696 /nfs/dbraw/zinc/22/16/96/398221696.db2.gz VMYSFAKQSYYFCJ-AGIUHOORSA-N 0 3 247.386 3.260 20 0 BGADHN CC[C@H](N[C@@H](C)c1nccnc1C)[C@@H]1CC1(C)C ZINC000417409564 398221577 /nfs/dbraw/zinc/22/15/77/398221577.db2.gz VMYSFAKQSYYFCJ-AVGNSLFASA-N 0 3 247.386 3.260 20 0 BGADHN CC[C@H](N[C@H](C)c1nccnc1C)[C@H]1CC1(C)C ZINC000417410101 387046682 /nfs/dbraw/zinc/04/66/82/387046682.db2.gz VMYSFAKQSYYFCJ-UPJWGTAASA-N 0 3 247.386 3.260 20 0 BGADHN CC[C@H](N[C@@H](C)c1nccnc1C)[C@H]1CC1(C)C ZINC000417410102 387045357 /nfs/dbraw/zinc/04/53/57/387045357.db2.gz VMYSFAKQSYYFCJ-XQQFMLRXSA-N 0 3 247.386 3.260 20 0 BGADHN CCN(Cc1cncn1CC)C1CCCCC1 ZINC000417701217 386574577 /nfs/dbraw/zinc/57/45/77/386574577.db2.gz NGLNTBAMOQKNBN-UHFFFAOYSA-N 0 3 235.375 3.058 20 0 BGADHN CCC1CCC(N(C)Cc2cc(C)nn2C)CC1 ZINC000417715094 386590980 /nfs/dbraw/zinc/59/09/80/386590980.db2.gz SIXFFVKRVZYDNX-UHFFFAOYSA-N 0 3 249.402 3.129 20 0 BGADHN CCn1cncc1CN(C)C1CCCCCC1 ZINC000417715751 386591515 /nfs/dbraw/zinc/59/15/15/386591515.db2.gz FCFLHALJZXCVNE-UHFFFAOYSA-N 0 3 235.375 3.058 20 0 BGADHN CCC1CCC(N(C)Cc2cncn2CC)CC1 ZINC000417719055 386588721 /nfs/dbraw/zinc/58/87/21/386588721.db2.gz WEXVDCOZBMRMDP-UHFFFAOYSA-N 0 3 249.402 3.304 20 0 BGADHN CCC(CC)CN(CC)Cc1cncn1CC ZINC000417723165 386598442 /nfs/dbraw/zinc/59/84/42/386598442.db2.gz WGHJNVPCVVYYCS-UHFFFAOYSA-N 0 3 237.391 3.161 20 0 BGADHN CCCCCN(Cc1cc(C)nn1C)C(C)C ZINC000417736332 386615482 /nfs/dbraw/zinc/61/54/82/386615482.db2.gz WWVMKHSYELNCKS-UHFFFAOYSA-N 0 3 237.391 3.129 20 0 BGADHN CCCCCN(Cc1cncn1CC)C(C)C ZINC000417737533 386613884 /nfs/dbraw/zinc/61/38/84/386613884.db2.gz XZJKDOSENMINQV-UHFFFAOYSA-N 0 3 237.391 3.304 20 0 BGADHN CCn1cncc1CN(C)CCC1CCCCC1 ZINC000417745621 386637419 /nfs/dbraw/zinc/63/74/19/386637419.db2.gz FUDVHCYUKQNLPX-UHFFFAOYSA-N 0 3 249.402 3.305 20 0 BGADHN Cc1cc(CN(C)CCC2CCCCC2)n(C)n1 ZINC000417746637 386637516 /nfs/dbraw/zinc/63/75/16/386637516.db2.gz HLCHDIXEYGGBMR-UHFFFAOYSA-N 0 3 249.402 3.131 20 0 BGADHN CCCCN(CCCC)Cc1cc(C)nn1C ZINC000417747855 386649351 /nfs/dbraw/zinc/64/93/51/386649351.db2.gz RQCPTMVBLDBTGT-UHFFFAOYSA-N 0 3 237.391 3.131 20 0 BGADHN CCCCN(CCCC)Cc1cncn1CC ZINC000417748398 386648231 /nfs/dbraw/zinc/64/82/31/386648231.db2.gz SJBHEFMOFBLRHL-UHFFFAOYSA-N 0 3 237.391 3.305 20 0 BGADHN CCn1cncc1CN1CCC(C(C)(C)C)CC1 ZINC000417752877 386657027 /nfs/dbraw/zinc/65/70/27/386657027.db2.gz RYWGVIWLYOFFRR-UHFFFAOYSA-N 0 3 249.402 3.161 20 0 BGADHN CCn1cncc1CN(C)C1CCC(C)(C)CC1 ZINC000417773924 386706384 /nfs/dbraw/zinc/70/63/84/386706384.db2.gz JTMVWVJTHQWNAP-UHFFFAOYSA-N 0 3 249.402 3.304 20 0 BGADHN CCn1cncc1CN1CCC[C@H](C(C)C)CC1 ZINC000417774011 353814472 /nfs/dbraw/zinc/81/44/72/353814472.db2.gz KGJVNEHTTLUXMY-AWEZNQCLSA-N 0 3 249.402 3.161 20 0 BGADHN CCn1cncc1CN1CCC[C@@H](C(C)C)CC1 ZINC000417774012 353814283 /nfs/dbraw/zinc/81/42/83/353814283.db2.gz KGJVNEHTTLUXMY-CQSZACIVSA-N 0 3 249.402 3.161 20 0 BGADHN CCC[C@@]1(C)CCCN(Cc2cc(C)nn2C)C1 ZINC000417774934 386706350 /nfs/dbraw/zinc/70/63/50/386706350.db2.gz LVARMHNPPRXRHN-HNNXBMFYSA-N 0 3 249.402 3.131 20 0 BGADHN CCC[C@]1(C)CCCN(Cc2cc(C)nn2C)C1 ZINC000417774935 386704705 /nfs/dbraw/zinc/70/47/05/386704705.db2.gz LVARMHNPPRXRHN-OAHLLOKOSA-N 0 3 249.402 3.131 20 0 BGADHN Cc1cc(CN(C)C2CCC(C)(C)CC2)n(C)n1 ZINC000417776112 386710223 /nfs/dbraw/zinc/71/02/23/386710223.db2.gz PEIHPKXHUWCGHN-UHFFFAOYSA-N 0 3 249.402 3.129 20 0 BGADHN CCn1cncc1CN1CCC[C@H]1CCC(C)C ZINC000417780504 491121868 /nfs/dbraw/zinc/12/18/68/491121868.db2.gz IBCHMUGFIHDTDC-AWEZNQCLSA-N 0 3 249.402 3.304 20 0 BGADHN CCn1cncc1CN1CCC[C@@H]1CCC(C)C ZINC000417780505 491121843 /nfs/dbraw/zinc/12/18/43/491121843.db2.gz IBCHMUGFIHDTDC-CQSZACIVSA-N 0 3 249.402 3.304 20 0 BGADHN CCC[C@@]1(C)CCCN(Cc2cncn2CC)C1 ZINC000417782031 386715867 /nfs/dbraw/zinc/71/58/67/386715867.db2.gz XNCMPSCNWYLVCP-HNNXBMFYSA-N 0 3 249.402 3.305 20 0 BGADHN CCC[C@]1(C)CCCN(Cc2cncn2CC)C1 ZINC000417782032 386717660 /nfs/dbraw/zinc/71/76/60/386717660.db2.gz XNCMPSCNWYLVCP-OAHLLOKOSA-N 0 3 249.402 3.305 20 0 BGADHN CC[C@H](C)[C@H](C)N(Cc1cc(C)nn1C)C1CC1 ZINC000417784580 386720238 /nfs/dbraw/zinc/72/02/38/386720238.db2.gz INGVFTITURWUSX-AAEUAGOBSA-N 0 3 249.402 3.128 20 0 BGADHN CC[C@@H](C)[C@@H](C)N(Cc1cc(C)nn1C)C1CC1 ZINC000417784581 386719946 /nfs/dbraw/zinc/71/99/46/386719946.db2.gz INGVFTITURWUSX-DGCLKSJQSA-N 0 3 249.402 3.128 20 0 BGADHN CC[C@H](C)[C@@H](C)N(Cc1cc(C)nn1C)C1CC1 ZINC000417784582 386720809 /nfs/dbraw/zinc/72/08/09/386720809.db2.gz INGVFTITURWUSX-WCQYABFASA-N 0 3 249.402 3.128 20 0 BGADHN CC[C@@H](C)[C@H](C)N(Cc1cc(C)nn1C)C1CC1 ZINC000417784583 386721046 /nfs/dbraw/zinc/72/10/46/386721046.db2.gz INGVFTITURWUSX-YPMHNXCESA-N 0 3 249.402 3.128 20 0 BGADHN CC[C@@H](C)[C@@H](C)N(Cc1cncn1CC)C1CC1 ZINC000417785804 386719234 /nfs/dbraw/zinc/71/92/34/386719234.db2.gz JWQTUTFIJSWUMI-CHWSQXEVSA-N 0 3 249.402 3.302 20 0 BGADHN CC[C@@H](C)[C@H](C)N(Cc1cncn1CC)C1CC1 ZINC000417785806 386719799 /nfs/dbraw/zinc/71/97/99/386719799.db2.gz JWQTUTFIJSWUMI-OLZOCXBDSA-N 0 3 249.402 3.302 20 0 BGADHN CC[C@H](C)[C@@H](C)N(Cc1cncn1CC)C1CC1 ZINC000417785807 386720582 /nfs/dbraw/zinc/72/05/82/386720582.db2.gz JWQTUTFIJSWUMI-QWHCGFSZSA-N 0 3 249.402 3.302 20 0 BGADHN CC[C@H](C)[C@H](C)N(Cc1cncn1CC)C1CC1 ZINC000417785811 386720015 /nfs/dbraw/zinc/72/00/15/386720015.db2.gz JWQTUTFIJSWUMI-STQMWFEESA-N 0 3 249.402 3.302 20 0 BGADHN Cc1cc(CN2CCC[C@H]2CCC(C)C)n(C)n1 ZINC000417787920 386723824 /nfs/dbraw/zinc/72/38/24/386723824.db2.gz SKVUBLRORIRQCA-AWEZNQCLSA-N 0 3 249.402 3.129 20 0 BGADHN Cc1cc(CN2CCC[C@@H]2CCC(C)C)n(C)n1 ZINC000417787921 386722620 /nfs/dbraw/zinc/72/26/20/386722620.db2.gz SKVUBLRORIRQCA-CQSZACIVSA-N 0 3 249.402 3.129 20 0 BGADHN CC[C@@H](C)[C@@H]1CCCCN1Cc1cc(C)nn1C ZINC000417791571 386728842 /nfs/dbraw/zinc/72/88/42/386728842.db2.gz LTOAOGUGZRBTDJ-DOMZBBRYSA-N 0 3 249.402 3.129 20 0 BGADHN CC[C@@H](C)[C@H]1CCCCN1Cc1cc(C)nn1C ZINC000417791573 386728212 /nfs/dbraw/zinc/72/82/12/386728212.db2.gz LTOAOGUGZRBTDJ-IUODEOHRSA-N 0 3 249.402 3.129 20 0 BGADHN CC[C@H](C)[C@H]1CCCCN1Cc1cc(C)nn1C ZINC000417791576 386729620 /nfs/dbraw/zinc/72/96/20/386729620.db2.gz LTOAOGUGZRBTDJ-SWLSCSKDSA-N 0 3 249.402 3.129 20 0 BGADHN CC[C@H](C)[C@@H]1CCCCN1Cc1cc(C)nn1C ZINC000417791579 386729262 /nfs/dbraw/zinc/72/92/62/386729262.db2.gz LTOAOGUGZRBTDJ-WFASDCNBSA-N 0 3 249.402 3.129 20 0 BGADHN CCn1cncc1CN1CCCC[C@H]1CC(C)C ZINC000417792661 386728043 /nfs/dbraw/zinc/72/80/43/386728043.db2.gz NCYRUWTZHJOHOJ-AWEZNQCLSA-N 0 3 249.402 3.304 20 0 BGADHN CCn1cncc1CN1CCCC[C@@H]1CC(C)C ZINC000417792662 386729433 /nfs/dbraw/zinc/72/94/33/386729433.db2.gz NCYRUWTZHJOHOJ-CQSZACIVSA-N 0 3 249.402 3.304 20 0 BGADHN CCCCC[C@H]1CCCN1Cc1cncn1CC ZINC000417793117 323184101 /nfs/dbraw/zinc/18/41/01/323184101.db2.gz JYRYNYJSUQEZCZ-AWEZNQCLSA-N 0 3 249.402 3.448 20 0 BGADHN CCCCC[C@@H]1CCCN1Cc1cncn1CC ZINC000417793118 323184048 /nfs/dbraw/zinc/18/40/48/323184048.db2.gz JYRYNYJSUQEZCZ-CQSZACIVSA-N 0 3 249.402 3.448 20 0 BGADHN Cc1cc(CN2CCCC[C@H]2CC(C)C)n(C)n1 ZINC000417793811 386736617 /nfs/dbraw/zinc/73/66/17/386736617.db2.gz OGORUYRPPMHEDZ-AWEZNQCLSA-N 0 3 249.402 3.129 20 0 BGADHN Cc1cc(CN2CCCC[C@@H]2CC(C)C)n(C)n1 ZINC000417793812 386735685 /nfs/dbraw/zinc/73/56/85/386735685.db2.gz OGORUYRPPMHEDZ-CQSZACIVSA-N 0 3 249.402 3.129 20 0 BGADHN CCCCC[C@H]1CCCN1Cc1cc(C)nn1C ZINC000417801066 386762866 /nfs/dbraw/zinc/76/28/66/386762866.db2.gz UEKTUPBKZWPZHV-AWEZNQCLSA-N 0 3 249.402 3.273 20 0 BGADHN CCCCC[C@@H]1CCCN1Cc1cc(C)nn1C ZINC000417801067 386762996 /nfs/dbraw/zinc/76/29/96/386762996.db2.gz UEKTUPBKZWPZHV-CQSZACIVSA-N 0 3 249.402 3.273 20 0 BGADHN CCC(C)(C)[C@@H]1CCCN1Cc1cc(C)nn1C ZINC000417802572 386779024 /nfs/dbraw/zinc/77/90/24/386779024.db2.gz AOVNWBOMTCUKAV-AWEZNQCLSA-N 0 3 249.402 3.129 20 0 BGADHN CCC(C)(C)[C@H]1CCCN1Cc1cc(C)nn1C ZINC000417802573 386778982 /nfs/dbraw/zinc/77/89/82/386778982.db2.gz AOVNWBOMTCUKAV-CQSZACIVSA-N 0 3 249.402 3.129 20 0 BGADHN CCC[C@H]1[C@H](C)CCCN1Cc1cc(C)nn1C ZINC000417808218 386788166 /nfs/dbraw/zinc/78/81/66/386788166.db2.gz JHPNMUKKIFPLBH-DOMZBBRYSA-N 0 3 249.402 3.129 20 0 BGADHN CCC[C@@H]1[C@H](C)CCCN1Cc1cc(C)nn1C ZINC000417808220 386788654 /nfs/dbraw/zinc/78/86/54/386788654.db2.gz JHPNMUKKIFPLBH-IUODEOHRSA-N 0 3 249.402 3.129 20 0 BGADHN CCC[C@@H]1[C@@H](C)CCCN1Cc1cc(C)nn1C ZINC000417808222 386786909 /nfs/dbraw/zinc/78/69/09/386786909.db2.gz JHPNMUKKIFPLBH-SWLSCSKDSA-N 0 3 249.402 3.129 20 0 BGADHN CCC[C@H]1[C@@H](C)CCCN1Cc1cc(C)nn1C ZINC000417808224 386787449 /nfs/dbraw/zinc/78/74/49/386787449.db2.gz JHPNMUKKIFPLBH-WFASDCNBSA-N 0 3 249.402 3.129 20 0 BGADHN CCn1cncc1CN1CCC[C@@H](CC(C)C)C1 ZINC000417818281 398293818 /nfs/dbraw/zinc/29/38/18/398293818.db2.gz VYISYJUXZYVWGM-AWEZNQCLSA-N 0 3 249.402 3.161 20 0 BGADHN CCn1cncc1CN1CCC[C@H](CC(C)C)C1 ZINC000417818282 398293704 /nfs/dbraw/zinc/29/37/04/398293704.db2.gz VYISYJUXZYVWGM-CQSZACIVSA-N 0 3 249.402 3.161 20 0 BGADHN Cc1cc(CNCCCCC(C)(C)C)n(C)n1 ZINC000417918721 386451537 /nfs/dbraw/zinc/45/15/37/386451537.db2.gz XNWKBZGEGNLBRP-UHFFFAOYSA-N 0 3 237.391 3.035 20 0 BGADHN Cc1cc(CNCCCCC2CCCC2)n(C)n1 ZINC000417940035 386591788 /nfs/dbraw/zinc/59/17/88/386591788.db2.gz KWVYJZSNSOZOFH-UHFFFAOYSA-N 0 3 249.402 3.179 20 0 BGADHN CC(C)c1cccc(CN[C@@H]2COC(C)(C)C2)c1 ZINC000417984097 386796858 /nfs/dbraw/zinc/79/68/58/386796858.db2.gz CIDVDAPTWKRQSE-HNNXBMFYSA-N 0 3 247.382 3.467 20 0 BGADHN CC(C)c1cccc(CN[C@H]2COC(C)(C)C2)c1 ZINC000417984098 386797696 /nfs/dbraw/zinc/79/76/96/386797696.db2.gz CIDVDAPTWKRQSE-OAHLLOKOSA-N 0 3 247.382 3.467 20 0 BGADHN CCn1cncc1CNCCC1=CCCCCC1 ZINC000417986687 386790854 /nfs/dbraw/zinc/79/08/54/386790854.db2.gz FTARSTPNQKSEAB-UHFFFAOYSA-N 0 3 247.386 3.273 20 0 BGADHN Cc1cc(CNCCC2=CCCCCC2)n(C)n1 ZINC000417987194 386790735 /nfs/dbraw/zinc/79/07/35/386790735.db2.gz GIKMGHHDHNFFPD-UHFFFAOYSA-N 0 3 247.386 3.099 20 0 BGADHN CCn1cncc1CN1CCC(CC)(CC)CC1 ZINC000417990233 386793268 /nfs/dbraw/zinc/79/32/68/386793268.db2.gz KCPLCSFRKYLQEX-UHFFFAOYSA-N 0 3 249.402 3.305 20 0 BGADHN CCn1cncc1CN1CCC(C)(C(C)C)CC1 ZINC000417990800 386801845 /nfs/dbraw/zinc/80/18/45/386801845.db2.gz KXYPMLQPVNXCSB-UHFFFAOYSA-N 0 3 249.402 3.161 20 0 BGADHN CCC1(CC)CCN(Cc2cc(C)nn2C)CC1 ZINC000417997443 386805400 /nfs/dbraw/zinc/80/54/00/386805400.db2.gz RPNRBFRSCCQCCZ-UHFFFAOYSA-N 0 3 249.402 3.131 20 0 BGADHN CCC[C@@H]1CCCCN1Cc1cncn1CC ZINC000418002875 386833137 /nfs/dbraw/zinc/83/31/37/386833137.db2.gz MJONCQHAOXNZQW-CYBMUJFWSA-N 0 3 235.375 3.058 20 0 BGADHN CCC[C@H]1CCCCN1Cc1cncn1CC ZINC000418002876 386834569 /nfs/dbraw/zinc/83/45/69/386834569.db2.gz MJONCQHAOXNZQW-ZDUSSCGKSA-N 0 3 235.375 3.058 20 0 BGADHN CCn1cncc1CN1CC(C)(C)CC(C)(C)C1 ZINC000418008090 386879886 /nfs/dbraw/zinc/87/98/86/386879886.db2.gz OABKADYGTASQOV-UHFFFAOYSA-N 0 3 249.402 3.161 20 0 BGADHN CCn1cncc1CN(C)[C@@H](C)C1CCCCC1 ZINC000418033476 387050026 /nfs/dbraw/zinc/05/00/26/387050026.db2.gz NJEODWRKWACDCT-ZDUSSCGKSA-N 0 3 249.402 3.304 20 0 BGADHN CCn1cncc1CN1CCC[C@@H](C(C)(C)C)C1 ZINC000418036006 387061895 /nfs/dbraw/zinc/06/18/95/387061895.db2.gz FNADQXCUCXANQZ-CYBMUJFWSA-N 0 3 249.402 3.161 20 0 BGADHN CCn1cncc1CN1CCC[C@H](C(C)(C)C)C1 ZINC000418036007 387062786 /nfs/dbraw/zinc/06/27/86/387062786.db2.gz FNADQXCUCXANQZ-ZDUSSCGKSA-N 0 3 249.402 3.161 20 0 BGADHN Cc1cc(CN(C)[C@@H](C)C2CCCCC2)n(C)n1 ZINC000418041888 387073308 /nfs/dbraw/zinc/07/33/08/387073308.db2.gz XIHNWFKTDAIRDD-ZDUSSCGKSA-N 0 3 249.402 3.129 20 0 BGADHN CCn1cncc1CN(C)[C@H](C)C1CCCCC1 ZINC000418044740 387074805 /nfs/dbraw/zinc/07/48/05/387074805.db2.gz NJEODWRKWACDCT-CYBMUJFWSA-N 0 3 249.402 3.304 20 0 BGADHN Cc1cc(CN(C)[C@H](C)C2CCCCC2)n(C)n1 ZINC000418049200 323346804 /nfs/dbraw/zinc/34/68/04/323346804.db2.gz XIHNWFKTDAIRDD-CYBMUJFWSA-N 0 3 249.402 3.129 20 0 BGADHN CC[C@H]1CCCC[C@H]1N(C)Cc1cc(C)nn1C ZINC000418061707 387081645 /nfs/dbraw/zinc/08/16/45/387081645.db2.gz DXKFBONAHDRDBK-DZGCQCFKSA-N 0 3 249.402 3.129 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1N(C)Cc1cc(C)nn1C ZINC000418061708 387081690 /nfs/dbraw/zinc/08/16/90/387081690.db2.gz DXKFBONAHDRDBK-HIFRSBDPSA-N 0 3 249.402 3.129 20 0 BGADHN CC[C@@H]1CCCC[C@H]1N(C)Cc1cc(C)nn1C ZINC000418061709 387080881 /nfs/dbraw/zinc/08/08/81/387080881.db2.gz DXKFBONAHDRDBK-UKRRQHHQSA-N 0 3 249.402 3.129 20 0 BGADHN CC[C@H]1CCCC[C@@H]1N(C)Cc1cc(C)nn1C ZINC000418061710 387080506 /nfs/dbraw/zinc/08/05/06/387080506.db2.gz DXKFBONAHDRDBK-ZFWWWQNUSA-N 0 3 249.402 3.129 20 0 BGADHN CC[C@H]1CCCC[C@H]1N(C)Cc1cncn1CC ZINC000418071560 387085904 /nfs/dbraw/zinc/08/59/04/387085904.db2.gz STTVVPUTYMIZLJ-DZGCQCFKSA-N 0 3 249.402 3.304 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1N(C)Cc1cncn1CC ZINC000418071562 387084933 /nfs/dbraw/zinc/08/49/33/387084933.db2.gz STTVVPUTYMIZLJ-HIFRSBDPSA-N 0 3 249.402 3.304 20 0 BGADHN CC[C@@H]1CCCC[C@H]1N(C)Cc1cncn1CC ZINC000418071564 387085508 /nfs/dbraw/zinc/08/55/08/387085508.db2.gz STTVVPUTYMIZLJ-UKRRQHHQSA-N 0 3 249.402 3.304 20 0 BGADHN CC[C@H]1CCCC[C@@H]1N(C)Cc1cncn1CC ZINC000418071565 387085242 /nfs/dbraw/zinc/08/52/42/387085242.db2.gz STTVVPUTYMIZLJ-ZFWWWQNUSA-N 0 3 249.402 3.304 20 0 BGADHN CCn1cncc1CN1C[C@H](C(C)C)[C@@H]1C(C)C ZINC000418079833 387088900 /nfs/dbraw/zinc/08/89/00/387088900.db2.gz YRNKSQNDIRCQET-CABCVRRESA-N 0 3 249.402 3.015 20 0 BGADHN CCn1cncc1CN1C[C@@H](C(C)C)[C@@H]1C(C)C ZINC000418079834 387089722 /nfs/dbraw/zinc/08/97/22/387089722.db2.gz YRNKSQNDIRCQET-GJZGRUSLSA-N 0 3 249.402 3.015 20 0 BGADHN CCn1cncc1CN1C[C@H](C(C)C)[C@H]1C(C)C ZINC000418079835 387089927 /nfs/dbraw/zinc/08/99/27/387089927.db2.gz YRNKSQNDIRCQET-HUUCEWRRSA-N 0 3 249.402 3.015 20 0 BGADHN CCn1cncc1CN1C[C@@H](C(C)C)[C@H]1C(C)C ZINC000418079836 387089663 /nfs/dbraw/zinc/08/96/63/387089663.db2.gz YRNKSQNDIRCQET-LSDHHAIUSA-N 0 3 249.402 3.015 20 0 BGADHN Fc1ccc(CNC[C@@H]2CC23CC3)c(Cl)c1 ZINC000418089233 191966472 /nfs/dbraw/zinc/96/64/72/191966472.db2.gz BTKSSOFICLSQBO-JTQLQIEISA-N 0 3 239.721 3.369 20 0 BGADHN Fc1ccc(CNC[C@H]2CC23CC3)c(Cl)c1 ZINC000418089234 191966273 /nfs/dbraw/zinc/96/62/73/191966273.db2.gz BTKSSOFICLSQBO-SNVBAGLBSA-N 0 3 239.721 3.369 20 0 BGADHN Fc1cc(Cl)ccc1CNC[C@@H]1CC12CC2 ZINC000418089445 387096347 /nfs/dbraw/zinc/09/63/47/387096347.db2.gz CHUDXTAVFREHFF-JTQLQIEISA-N 0 3 239.721 3.369 20 0 BGADHN Fc1cc(Cl)ccc1CNC[C@H]1CC12CC2 ZINC000418089447 387096007 /nfs/dbraw/zinc/09/60/07/387096007.db2.gz CHUDXTAVFREHFF-SNVBAGLBSA-N 0 3 239.721 3.369 20 0 BGADHN CC(C)c1cnc(CNC[C@@H]2CC23CC3)s1 ZINC000418090072 387096512 /nfs/dbraw/zinc/09/65/12/387096512.db2.gz DCSFYPBCTMOYSR-JTQLQIEISA-N 0 3 236.384 3.156 20 0 BGADHN CC(C)c1cnc(CNC[C@H]2CC23CC3)s1 ZINC000418090077 387096225 /nfs/dbraw/zinc/09/62/25/387096225.db2.gz DCSFYPBCTMOYSR-SNVBAGLBSA-N 0 3 236.384 3.156 20 0 BGADHN Fc1c(Cl)cccc1CNC[C@@H]1CC12CC2 ZINC000418090718 387098171 /nfs/dbraw/zinc/09/81/71/387098171.db2.gz FEKUMZJDNDQWBV-JTQLQIEISA-N 0 3 239.721 3.369 20 0 BGADHN Fc1c(Cl)cccc1CNC[C@H]1CC12CC2 ZINC000418090719 387098395 /nfs/dbraw/zinc/09/83/95/387098395.db2.gz FEKUMZJDNDQWBV-SNVBAGLBSA-N 0 3 239.721 3.369 20 0 BGADHN Fc1cccc(Cl)c1CNC[C@H]1CC12CC2 ZINC000418091131 387098567 /nfs/dbraw/zinc/09/85/67/387098567.db2.gz FZHOQCDJDZCEFJ-SECBINFHSA-N 0 3 239.721 3.369 20 0 BGADHN Fc1cccc(Cl)c1CNC[C@@H]1CC12CC2 ZINC000418091132 387097840 /nfs/dbraw/zinc/09/78/40/387097840.db2.gz FZHOQCDJDZCEFJ-VIFPVBQESA-N 0 3 239.721 3.369 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CNC[C@@H]2CC23CC3)o1 ZINC000418091901 387097567 /nfs/dbraw/zinc/09/75/67/387097567.db2.gz GZNCHEHKANJTME-MDZLAQPJSA-N 0 3 231.339 3.293 20 0 BGADHN C[C@@H]1C[C@H]1c1ccc(CNC[C@H]2CC23CC3)o1 ZINC000418091902 387098217 /nfs/dbraw/zinc/09/82/17/387098217.db2.gz GZNCHEHKANJTME-NQBHXWOUSA-N 0 3 231.339 3.293 20 0 BGADHN C[C@@H]1C[C@H]1c1ccc(CNC[C@@H]2CC23CC3)o1 ZINC000418091903 387097904 /nfs/dbraw/zinc/09/79/04/387097904.db2.gz GZNCHEHKANJTME-NTZNESFSSA-N 0 3 231.339 3.293 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CNC[C@H]2CC23CC3)o1 ZINC000418091904 387098934 /nfs/dbraw/zinc/09/89/34/387098934.db2.gz GZNCHEHKANJTME-WZRBSPASSA-N 0 3 231.339 3.293 20 0 BGADHN Clc1ccsc1CNC[C@H]1CC12CC2 ZINC000418091915 387098578 /nfs/dbraw/zinc/09/85/78/387098578.db2.gz HAVUBFYCMKEZLJ-MRVPVSSYSA-N 0 3 227.760 3.291 20 0 BGADHN Clc1ccsc1CNC[C@@H]1CC12CC2 ZINC000418091916 387098351 /nfs/dbraw/zinc/09/83/51/387098351.db2.gz HAVUBFYCMKEZLJ-QMMMGPOBSA-N 0 3 227.760 3.291 20 0 BGADHN Cc1occc1CN1CCC(OC2CCC2)CC1 ZINC000418092230 387097311 /nfs/dbraw/zinc/09/73/11/387097311.db2.gz OTIFZBLPEZLFPP-UHFFFAOYSA-N 0 3 249.354 3.122 20 0 BGADHN c1ccc(CN2CCC(OC3CCC3)CC2)cc1 ZINC000418093883 387100067 /nfs/dbraw/zinc/10/00/67/387100067.db2.gz JQVIXCRAKDNVDF-UHFFFAOYSA-N 0 3 245.366 3.220 20 0 BGADHN Cc1ccoc1CN1CCC(OC2CCC2)CC1 ZINC000418094617 387100926 /nfs/dbraw/zinc/10/09/26/387100926.db2.gz SCNOUNURFXBMPC-UHFFFAOYSA-N 0 3 249.354 3.122 20 0 BGADHN CO[C@@H](CNCc1csc(C)c1)CC(C)C ZINC000418094794 387102595 /nfs/dbraw/zinc/10/25/95/387102595.db2.gz KRBJSPQQKHKYDQ-CYBMUJFWSA-N 0 3 241.400 3.207 20 0 BGADHN CO[C@H](CNCc1csc(C)c1)CC(C)C ZINC000418094795 387101990 /nfs/dbraw/zinc/10/19/90/387101990.db2.gz KRBJSPQQKHKYDQ-ZDUSSCGKSA-N 0 3 241.400 3.207 20 0 BGADHN CO[C@@H](CNCc1ccc(Cl)o1)CC(C)C ZINC000418094906 191968449 /nfs/dbraw/zinc/96/84/49/191968449.db2.gz ILKBVCOMZFAQNN-LLVKDONJSA-N 0 3 245.750 3.084 20 0 BGADHN CO[C@H](CNCc1ccc(Cl)o1)CC(C)C ZINC000418094917 387101762 /nfs/dbraw/zinc/10/17/62/387101762.db2.gz ILKBVCOMZFAQNN-NSHDSACASA-N 0 3 245.750 3.084 20 0 BGADHN Fc1ccc(Cl)cc1CNC[C@@H]1CC12CC2 ZINC000418095758 387092363 /nfs/dbraw/zinc/09/23/63/387092363.db2.gz LPKFVZSULMMJGZ-JTQLQIEISA-N 0 3 239.721 3.369 20 0 BGADHN Fc1ccc(Cl)cc1CNC[C@H]1CC12CC2 ZINC000418095759 387092425 /nfs/dbraw/zinc/09/24/25/387092425.db2.gz LPKFVZSULMMJGZ-SNVBAGLBSA-N 0 3 239.721 3.369 20 0 BGADHN CO[C@@H](CNCc1ccsc1C)CC(C)C ZINC000418099126 323349355 /nfs/dbraw/zinc/34/93/55/323349355.db2.gz PJSXMSWKYKPJBO-CYBMUJFWSA-N 0 3 241.400 3.207 20 0 BGADHN CO[C@H](CNCc1ccsc1C)CC(C)C ZINC000418099127 323349026 /nfs/dbraw/zinc/34/90/26/323349026.db2.gz PJSXMSWKYKPJBO-ZDUSSCGKSA-N 0 3 241.400 3.207 20 0 BGADHN CO[C@H](CNC/C=C\c1ccccc1)CC(C)C ZINC000418100278 387131685 /nfs/dbraw/zinc/13/16/85/387131685.db2.gz OJLUPPQECOLVIX-BJIFSAINSA-N 0 3 247.382 3.351 20 0 BGADHN CO[C@@H](CNC/C=C\c1ccccc1)CC(C)C ZINC000418100279 387130900 /nfs/dbraw/zinc/13/09/00/387130900.db2.gz OJLUPPQECOLVIX-BSDKJSHOSA-N 0 3 247.382 3.351 20 0 BGADHN CO[C@H](CNC/C=C/c1ccccc1)CC(C)C ZINC000418100280 387131771 /nfs/dbraw/zinc/13/17/71/387131771.db2.gz OJLUPPQECOLVIX-JCVNQNCUSA-N 0 3 247.382 3.351 20 0 BGADHN CO[C@@H](CNC/C=C/c1ccccc1)CC(C)C ZINC000418100281 387131192 /nfs/dbraw/zinc/13/11/92/387131192.db2.gz OJLUPPQECOLVIX-OJXHRBAXSA-N 0 3 247.382 3.351 20 0 BGADHN Clc1ccccc1CNC[C@H]1CC12CC2 ZINC000418101044 387133551 /nfs/dbraw/zinc/13/35/51/387133551.db2.gz SCWAVACUZXVMGD-LLVKDONJSA-N 0 3 221.731 3.230 20 0 BGADHN Clc1ccccc1CNC[C@@H]1CC12CC2 ZINC000418101046 387133555 /nfs/dbraw/zinc/13/35/55/387133555.db2.gz SCWAVACUZXVMGD-NSHDSACASA-N 0 3 221.731 3.230 20 0 BGADHN Cc1ccc(CN2CCC(OC3CCC3)CC2)o1 ZINC000418104696 387134778 /nfs/dbraw/zinc/13/47/78/387134778.db2.gz XJWBZUDAMARSLG-UHFFFAOYSA-N 0 3 249.354 3.122 20 0 BGADHN Clc1sccc1CNC[C@H]1CC12CC2 ZINC000418106379 398328203 /nfs/dbraw/zinc/32/82/03/398328203.db2.gz ZLWIYDIDMINCOV-SECBINFHSA-N 0 3 227.760 3.291 20 0 BGADHN Clc1sccc1CNC[C@@H]1CC12CC2 ZINC000418106381 398328125 /nfs/dbraw/zinc/32/81/25/398328125.db2.gz ZLWIYDIDMINCOV-VIFPVBQESA-N 0 3 227.760 3.291 20 0 BGADHN CN(Cc1c[nH]cn1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000418107280 387497751 /nfs/dbraw/zinc/49/77/51/387497751.db2.gz DHNUWTJZIUQEQI-CHWSQXEVSA-N 0 3 235.375 3.056 20 0 BGADHN CN(Cc1c[nH]cn1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000418107282 387497921 /nfs/dbraw/zinc/49/79/21/387497921.db2.gz DHNUWTJZIUQEQI-OLZOCXBDSA-N 0 3 235.375 3.056 20 0 BGADHN CN(Cc1c[nH]cn1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000418107283 387497476 /nfs/dbraw/zinc/49/74/76/387497476.db2.gz DHNUWTJZIUQEQI-QWHCGFSZSA-N 0 3 235.375 3.056 20 0 BGADHN CN(Cc1c[nH]cn1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000418107284 387497957 /nfs/dbraw/zinc/49/79/57/387497957.db2.gz DHNUWTJZIUQEQI-STQMWFEESA-N 0 3 235.375 3.056 20 0 BGADHN CCn1cncc1CN1CC[C@H](CC(C)(C)C)C1 ZINC000418109694 386849909 /nfs/dbraw/zinc/84/99/09/386849909.db2.gz CXOGBNVAPWMQKT-CYBMUJFWSA-N 0 3 249.402 3.161 20 0 BGADHN CCn1cncc1CN1CC[C@@H](CC(C)(C)C)C1 ZINC000418109695 386849893 /nfs/dbraw/zinc/84/98/93/386849893.db2.gz CXOGBNVAPWMQKT-ZDUSSCGKSA-N 0 3 249.402 3.161 20 0 BGADHN Cc1cc(CN(C(C)C)C2CC(C)(C)C2)n(C)n1 ZINC000418110369 387014245 /nfs/dbraw/zinc/01/42/45/387014245.db2.gz DXZQGFFOTFPUFC-UHFFFAOYSA-N 0 3 249.402 3.128 20 0 BGADHN CN(Cc1cncn1C)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000418110687 200828459 /nfs/dbraw/zinc/82/84/59/200828459.db2.gz JTZANMMJNGSMFU-KBPBESRZSA-N 0 3 249.402 3.067 20 0 BGADHN CN(Cc1cncn1C)[C@H]1CCC[C@H]1C(C)(C)C ZINC000418110691 387100341 /nfs/dbraw/zinc/10/03/41/387100341.db2.gz JTZANMMJNGSMFU-KGLIPLIRSA-N 0 3 249.402 3.067 20 0 BGADHN CN(Cc1cncn1C)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000418110693 387100052 /nfs/dbraw/zinc/10/00/52/387100052.db2.gz JTZANMMJNGSMFU-UONOGXRCSA-N 0 3 249.402 3.067 20 0 BGADHN CN(Cc1cncn1C)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000418110695 387100127 /nfs/dbraw/zinc/10/01/27/387100127.db2.gz JTZANMMJNGSMFU-ZIAGYGMSSA-N 0 3 249.402 3.067 20 0 BGADHN CC[C@H](NCc1ccncc1F)[C@@H]1CC1(C)C ZINC000418112562 387202897 /nfs/dbraw/zinc/20/28/97/387202897.db2.gz YZLQVUKTRCOGMQ-AAEUAGOBSA-N 0 3 236.334 3.135 20 0 BGADHN CC[C@@H](NCc1ccncc1F)[C@H]1CC1(C)C ZINC000418112566 387201956 /nfs/dbraw/zinc/20/19/56/387201956.db2.gz YZLQVUKTRCOGMQ-DGCLKSJQSA-N 0 3 236.334 3.135 20 0 BGADHN CC[C@@H](NCc1ccncc1F)[C@@H]1CC1(C)C ZINC000418112570 387201658 /nfs/dbraw/zinc/20/16/58/387201658.db2.gz YZLQVUKTRCOGMQ-WCQYABFASA-N 0 3 236.334 3.135 20 0 BGADHN CC[C@H](NCc1ccncc1F)[C@H]1CC1(C)C ZINC000418112591 387202916 /nfs/dbraw/zinc/20/29/16/387202916.db2.gz YZLQVUKTRCOGMQ-YPMHNXCESA-N 0 3 236.334 3.135 20 0 BGADHN CCn1cncc1CN(C(C)C)C1CC(C)(C)C1 ZINC000418116027 387723667 /nfs/dbraw/zinc/72/36/67/387723667.db2.gz PQCVGNVAWIMVCN-UHFFFAOYSA-N 0 3 249.402 3.302 20 0 BGADHN CN(Cc1ccnn1C)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000418119176 387067948 /nfs/dbraw/zinc/06/79/48/387067948.db2.gz UNBIEAQCGJOMPK-KBPBESRZSA-N 0 3 249.402 3.067 20 0 BGADHN CN(Cc1ccnn1C)[C@H]1CCC[C@H]1C(C)(C)C ZINC000418119180 387067115 /nfs/dbraw/zinc/06/71/15/387067115.db2.gz UNBIEAQCGJOMPK-KGLIPLIRSA-N 0 3 249.402 3.067 20 0 BGADHN CN(Cc1ccnn1C)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000418119182 387067391 /nfs/dbraw/zinc/06/73/91/387067391.db2.gz UNBIEAQCGJOMPK-UONOGXRCSA-N 0 3 249.402 3.067 20 0 BGADHN CN(Cc1ccnn1C)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000418119185 387067023 /nfs/dbraw/zinc/06/70/23/387067023.db2.gz UNBIEAQCGJOMPK-ZIAGYGMSSA-N 0 3 249.402 3.067 20 0 BGADHN CN(Cc1nccn1C)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000418119188 387067194 /nfs/dbraw/zinc/06/71/94/387067194.db2.gz UNDOBEPXMMSQBM-CHWSQXEVSA-N 0 3 249.402 3.067 20 0 BGADHN CN(Cc1nccn1C)[C@H]1CCC[C@H]1C(C)(C)C ZINC000418119191 387067461 /nfs/dbraw/zinc/06/74/61/387067461.db2.gz UNDOBEPXMMSQBM-OLZOCXBDSA-N 0 3 249.402 3.067 20 0 BGADHN CN(Cc1nccn1C)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000418119194 387068073 /nfs/dbraw/zinc/06/80/73/387068073.db2.gz UNDOBEPXMMSQBM-QWHCGFSZSA-N 0 3 249.402 3.067 20 0 BGADHN CN(Cc1nccn1C)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000418119195 387068585 /nfs/dbraw/zinc/06/85/85/387068585.db2.gz UNDOBEPXMMSQBM-STQMWFEESA-N 0 3 249.402 3.067 20 0 BGADHN CN(Cc1cc[nH]n1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000418120005 387075283 /nfs/dbraw/zinc/07/52/83/387075283.db2.gz VLXUHXCALFMZKR-CHWSQXEVSA-N 0 3 235.375 3.056 20 0 BGADHN CN(Cc1cc[nH]n1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000418120008 387075101 /nfs/dbraw/zinc/07/51/01/387075101.db2.gz VLXUHXCALFMZKR-OLZOCXBDSA-N 0 3 235.375 3.056 20 0 BGADHN CN(Cc1cc[nH]n1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000418120011 387075353 /nfs/dbraw/zinc/07/53/53/387075353.db2.gz VLXUHXCALFMZKR-QWHCGFSZSA-N 0 3 235.375 3.056 20 0 BGADHN CN(Cc1cc[nH]n1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000418120013 387075862 /nfs/dbraw/zinc/07/58/62/387075862.db2.gz VLXUHXCALFMZKR-STQMWFEESA-N 0 3 235.375 3.056 20 0 BGADHN CCc1nc(CN2C[C@H](C)[C@@H](C)[C@@H]2C)cs1 ZINC000418121106 387076483 /nfs/dbraw/zinc/07/64/83/387076483.db2.gz CXCONUIRENXQIB-AXFHLTTASA-N 0 3 238.400 3.182 20 0 BGADHN CCc1nc(CN2C[C@H](C)[C@H](C)[C@@H]2C)cs1 ZINC000418121111 387077415 /nfs/dbraw/zinc/07/74/15/387077415.db2.gz CXCONUIRENXQIB-DCAQKATOSA-N 0 3 238.400 3.182 20 0 BGADHN CCc1nc(CN2C[C@H](C)[C@H](C)[C@H]2C)cs1 ZINC000418121113 387077060 /nfs/dbraw/zinc/07/70/60/387077060.db2.gz CXCONUIRENXQIB-GARJFASQSA-N 0 3 238.400 3.182 20 0 BGADHN CCc1nc(CN2C[C@H](C)[C@@H](C)[C@H]2C)cs1 ZINC000418121114 387077920 /nfs/dbraw/zinc/07/79/20/387077920.db2.gz CXCONUIRENXQIB-HBNTYKKESA-N 0 3 238.400 3.182 20 0 BGADHN C[C@@H](NCc1cnc[nH]1)c1ccc(C2CC2)cc1 ZINC000418123198 387096864 /nfs/dbraw/zinc/09/68/64/387096864.db2.gz YHIJOHKNMFXQSZ-LLVKDONJSA-N 0 3 241.338 3.138 20 0 BGADHN C[C@@H](NCc1c[nH]cn1)c1ccc(C2CC2)cc1 ZINC000418123198 387096862 /nfs/dbraw/zinc/09/68/62/387096862.db2.gz YHIJOHKNMFXQSZ-LLVKDONJSA-N 0 3 241.338 3.138 20 0 BGADHN C[C@H](NCc1cnc[nH]1)c1ccc(C2CC2)cc1 ZINC000418123200 387097268 /nfs/dbraw/zinc/09/72/68/387097268.db2.gz YHIJOHKNMFXQSZ-NSHDSACASA-N 0 3 241.338 3.138 20 0 BGADHN C[C@H](NCc1c[nH]cn1)c1ccc(C2CC2)cc1 ZINC000418123200 387097262 /nfs/dbraw/zinc/09/72/62/387097262.db2.gz YHIJOHKNMFXQSZ-NSHDSACASA-N 0 3 241.338 3.138 20 0 BGADHN CN(Cc1ccn(C)n1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000418123821 387109162 /nfs/dbraw/zinc/10/91/62/387109162.db2.gz YTGLRBBEUPCYDY-KBPBESRZSA-N 0 3 249.402 3.067 20 0 BGADHN CN(Cc1ccn(C)n1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000418123823 387109552 /nfs/dbraw/zinc/10/95/52/387109552.db2.gz YTGLRBBEUPCYDY-KGLIPLIRSA-N 0 3 249.402 3.067 20 0 BGADHN CN(Cc1ccn(C)n1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000418123825 387109583 /nfs/dbraw/zinc/10/95/83/387109583.db2.gz YTGLRBBEUPCYDY-UONOGXRCSA-N 0 3 249.402 3.067 20 0 BGADHN CN(Cc1ccn(C)n1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000418123827 387109784 /nfs/dbraw/zinc/10/97/84/387109784.db2.gz YTGLRBBEUPCYDY-ZIAGYGMSSA-N 0 3 249.402 3.067 20 0 BGADHN CCc1cnc(CN2C[C@H](C)[C@@H](C)[C@@H]2C)s1 ZINC000418124559 387142613 /nfs/dbraw/zinc/14/26/13/387142613.db2.gz MQOCJWJXNSJXMP-AXFHLTTASA-N 0 3 238.400 3.182 20 0 BGADHN CCc1cnc(CN2C[C@H](C)[C@H](C)[C@@H]2C)s1 ZINC000418124561 387142912 /nfs/dbraw/zinc/14/29/12/387142912.db2.gz MQOCJWJXNSJXMP-DCAQKATOSA-N 0 3 238.400 3.182 20 0 BGADHN CCc1cnc(CN2C[C@H](C)[C@H](C)[C@H]2C)s1 ZINC000418124563 387143152 /nfs/dbraw/zinc/14/31/52/387143152.db2.gz MQOCJWJXNSJXMP-GARJFASQSA-N 0 3 238.400 3.182 20 0 BGADHN CCc1cnc(CN2C[C@H](C)[C@@H](C)[C@H]2C)s1 ZINC000418124565 191981669 /nfs/dbraw/zinc/98/16/69/191981669.db2.gz MQOCJWJXNSJXMP-HBNTYKKESA-N 0 3 238.400 3.182 20 0 BGADHN C[C@@H]1[C@@H](C)[C@H](C)CN1Cc1nc2ccccc2[nH]1 ZINC000418125689 387153540 /nfs/dbraw/zinc/15/35/40/387153540.db2.gz JVYGMTBULXWDON-GRYCIOLGSA-N 0 3 243.354 3.039 20 0 BGADHN C[C@H]1[C@@H](C)N(Cc2nc3ccccc3[nH]2)C[C@H]1C ZINC000418125690 387152846 /nfs/dbraw/zinc/15/28/46/387152846.db2.gz JVYGMTBULXWDON-IJLUTSLNSA-N 0 3 243.354 3.039 20 0 BGADHN C[C@@H]1[C@H](C)CN(Cc2nc3ccccc3[nH]2)[C@H]1C ZINC000418125691 387153203 /nfs/dbraw/zinc/15/32/03/387153203.db2.gz JVYGMTBULXWDON-UTUOFQBUSA-N 0 3 243.354 3.039 20 0 BGADHN C[C@@H]1CN(Cc2nc3ccccc3[nH]2)[C@@H](C)[C@H]1C ZINC000418125692 387152538 /nfs/dbraw/zinc/15/25/38/387152538.db2.gz JVYGMTBULXWDON-WOPDTQHZSA-N 0 3 243.354 3.039 20 0 BGADHN C[C@@H]1CN(Cc2cnn(C(C)(C)C)c2)[C@@H](C)[C@H]1C ZINC000418135797 387170503 /nfs/dbraw/zinc/17/05/03/387170503.db2.gz RFDZBIKJYACGMI-AGIUHOORSA-N 0 3 249.402 3.114 20 0 BGADHN C[C@@H]1[C@@H](C)[C@H](C)CN1Cc1cnn(C(C)(C)C)c1 ZINC000418135798 387169301 /nfs/dbraw/zinc/16/93/01/387169301.db2.gz RFDZBIKJYACGMI-FRRDWIJNSA-N 0 3 249.402 3.114 20 0 BGADHN C[C@H]1[C@@H](C)N(Cc2cnn(C(C)(C)C)c2)C[C@H]1C ZINC000418135800 387169408 /nfs/dbraw/zinc/16/94/08/387169408.db2.gz RFDZBIKJYACGMI-JHJVBQTASA-N 0 3 249.402 3.114 20 0 BGADHN C[C@@H]1[C@H](C)CN(Cc2cnn(C(C)(C)C)c2)[C@H]1C ZINC000418135802 387169659 /nfs/dbraw/zinc/16/96/59/387169659.db2.gz RFDZBIKJYACGMI-UPJWGTAASA-N 0 3 249.402 3.114 20 0 BGADHN COCCCCN(C)Cc1cc(Cl)cs1 ZINC000418150007 387178728 /nfs/dbraw/zinc/17/87/28/387178728.db2.gz VOMIUGKMFGXGCQ-UHFFFAOYSA-N 0 3 247.791 3.260 20 0 BGADHN COCCCCN(C)c1ccnc2ccccc21 ZINC000419016686 192094189 /nfs/dbraw/zinc/09/41/89/192094189.db2.gz PWQHZZUBVAMZOJ-UHFFFAOYSA-N 0 3 244.338 3.098 20 0 BGADHN CC[C@H](CN(C)Cc1ccc(Cl)cc1)OC ZINC000419178274 192101395 /nfs/dbraw/zinc/10/13/95/192101395.db2.gz BLJXQWWXFHUENK-CYBMUJFWSA-N 0 3 241.762 3.197 20 0 BGADHN CC[C@@H](CN(C)Cc1ccc(Cl)cc1)OC ZINC000419178275 192101563 /nfs/dbraw/zinc/10/15/63/192101563.db2.gz BLJXQWWXFHUENK-ZDUSSCGKSA-N 0 3 241.762 3.197 20 0 BGADHN CC[C@@H](CN(CC)Cc1cccc(F)c1)OC ZINC000419184708 192108796 /nfs/dbraw/zinc/10/87/96/192108796.db2.gz DFFXCHOBHFNCCA-AWEZNQCLSA-N 0 3 239.334 3.073 20 0 BGADHN CC[C@H](CN(CC)Cc1cccc(F)c1)OC ZINC000419184709 192108814 /nfs/dbraw/zinc/10/88/14/192108814.db2.gz DFFXCHOBHFNCCA-CQSZACIVSA-N 0 3 239.334 3.073 20 0 BGADHN CO[C@H](CC(C)C)CN(C)[C@H](C)c1ccco1 ZINC000419187584 192108624 /nfs/dbraw/zinc/10/86/24/192108624.db2.gz IIMYSUHDJVTBJL-CHWSQXEVSA-N 0 3 239.359 3.334 20 0 BGADHN CO[C@@H](CC(C)C)CN(C)[C@H](C)c1ccco1 ZINC000419187585 192108208 /nfs/dbraw/zinc/10/82/08/192108208.db2.gz IIMYSUHDJVTBJL-OLZOCXBDSA-N 0 3 239.359 3.334 20 0 BGADHN CO[C@H](CC(C)C)CN(C)[C@@H](C)c1ccco1 ZINC000419187586 192108010 /nfs/dbraw/zinc/10/80/10/192108010.db2.gz IIMYSUHDJVTBJL-QWHCGFSZSA-N 0 3 239.359 3.334 20 0 BGADHN CO[C@@H](CC(C)C)CN(C)[C@@H](C)c1ccco1 ZINC000419187587 192108836 /nfs/dbraw/zinc/10/88/36/192108836.db2.gz IIMYSUHDJVTBJL-STQMWFEESA-N 0 3 239.359 3.334 20 0 BGADHN CO[C@H](CC(C)C)CN(C)Cc1cccs1 ZINC000419191566 192109188 /nfs/dbraw/zinc/10/91/88/192109188.db2.gz JDBDCDMMEARHEV-GFCCVEGCSA-N 0 3 241.400 3.241 20 0 BGADHN CO[C@@H](CC(C)C)CN(C)Cc1cccs1 ZINC000419191567 192109393 /nfs/dbraw/zinc/10/93/93/192109393.db2.gz JDBDCDMMEARHEV-LBPRGKRZSA-N 0 3 241.400 3.241 20 0 BGADHN CC[C@H](CN(C)Cc1cccc(Cl)c1)OC ZINC000419192520 192109299 /nfs/dbraw/zinc/10/92/99/192109299.db2.gz SZEHZZKDGNJEDN-CYBMUJFWSA-N 0 3 241.762 3.197 20 0 BGADHN CC[C@@H](CN(C)Cc1cccc(Cl)c1)OC ZINC000419192522 192109294 /nfs/dbraw/zinc/10/92/94/192109294.db2.gz SZEHZZKDGNJEDN-ZDUSSCGKSA-N 0 3 241.762 3.197 20 0 BGADHN CC(C)(NCCOCC1CCC1)c1ccccc1 ZINC000419195151 387966471 /nfs/dbraw/zinc/96/64/71/387966471.db2.gz UQQANQIRFXNPPZ-UHFFFAOYSA-N 0 3 247.382 3.328 20 0 BGADHN CO[C@@H](CC(C)C)CN1CCc2ccccc2C1 ZINC000419201627 192102223 /nfs/dbraw/zinc/10/22/23/192102223.db2.gz MMSDSKCOXNSJSR-INIZCTEOSA-N 0 3 247.382 3.106 20 0 BGADHN CO[C@H](CC(C)C)CN1CCc2ccccc2C1 ZINC000419201628 192102619 /nfs/dbraw/zinc/10/26/19/192102619.db2.gz MMSDSKCOXNSJSR-MRXNPFEDSA-N 0 3 247.382 3.106 20 0 BGADHN CO[C@@H](CC(C)C)CN(C)Cc1ccoc1C ZINC000419202034 192103199 /nfs/dbraw/zinc/10/31/99/192103199.db2.gz GSZWDZFQNYXGCR-AWEZNQCLSA-N 0 3 239.359 3.081 20 0 BGADHN CO[C@H](CC(C)C)CN(C)Cc1ccoc1C ZINC000419202036 192102345 /nfs/dbraw/zinc/10/23/45/192102345.db2.gz GSZWDZFQNYXGCR-CQSZACIVSA-N 0 3 239.359 3.081 20 0 BGADHN CO[C@@H](CC(C)C)CN(C)Cc1ccc(C)o1 ZINC000419203225 192102673 /nfs/dbraw/zinc/10/26/73/192102673.db2.gz NWVXRKSMCOLOCK-AWEZNQCLSA-N 0 3 239.359 3.081 20 0 BGADHN CO[C@H](CC(C)C)CN(C)Cc1ccc(C)o1 ZINC000419203226 192102583 /nfs/dbraw/zinc/10/25/83/192102583.db2.gz NWVXRKSMCOLOCK-CQSZACIVSA-N 0 3 239.359 3.081 20 0 BGADHN CC[C@H](CN(C)Cc1cc2ccccc2o1)OC ZINC000419204281 192102708 /nfs/dbraw/zinc/10/27/08/192102708.db2.gz GPYNVTPEIVEGNR-CYBMUJFWSA-N 0 3 247.338 3.290 20 0 BGADHN CC[C@@H](CN(C)Cc1cc2ccccc2o1)OC ZINC000419204282 192102664 /nfs/dbraw/zinc/10/26/64/192102664.db2.gz GPYNVTPEIVEGNR-ZDUSSCGKSA-N 0 3 247.338 3.290 20 0 BGADHN CO[C@@H](CC(C)C)CN(C)Cc1ccccc1 ZINC000419204603 192103542 /nfs/dbraw/zinc/10/35/42/192103542.db2.gz PCBSDACJTHUPGA-HNNXBMFYSA-N 0 3 235.371 3.180 20 0 BGADHN CO[C@H](CC(C)C)CN(C)Cc1ccccc1 ZINC000419204604 192104390 /nfs/dbraw/zinc/10/43/90/192104390.db2.gz PCBSDACJTHUPGA-OAHLLOKOSA-N 0 3 235.371 3.180 20 0 BGADHN c1ccc([C@@H]2CCN2CCOCC2CCC2)cc1 ZINC000419216708 192105551 /nfs/dbraw/zinc/10/55/51/192105551.db2.gz OPBLQEJPSRDOFV-INIZCTEOSA-N 0 3 245.366 3.250 20 0 BGADHN c1ccc([C@H]2CCN2CCOCC2CCC2)cc1 ZINC000419216709 192105289 /nfs/dbraw/zinc/10/52/89/192105289.db2.gz OPBLQEJPSRDOFV-MRXNPFEDSA-N 0 3 245.366 3.250 20 0 BGADHN CO[C@@H](CC(C)C)CN1Cc2ccccc2C1 ZINC000419217321 192105191 /nfs/dbraw/zinc/10/51/91/192105191.db2.gz QMQAEZAQAFLFIS-HNNXBMFYSA-N 0 3 233.355 3.063 20 0 BGADHN CO[C@H](CC(C)C)CN1Cc2ccccc2C1 ZINC000419217322 192105369 /nfs/dbraw/zinc/10/53/69/192105369.db2.gz QMQAEZAQAFLFIS-OAHLLOKOSA-N 0 3 233.355 3.063 20 0 BGADHN CO[C@H](CC(C)C)CN1CC[C@H]1c1ccccc1 ZINC000419219862 192105894 /nfs/dbraw/zinc/10/58/94/192105894.db2.gz TYRQQGORTFPIEC-CVEARBPZSA-N 0 3 247.382 3.495 20 0 BGADHN CO[C@@H](CC(C)C)CN1CC[C@H]1c1ccccc1 ZINC000419219863 192105851 /nfs/dbraw/zinc/10/58/51/192105851.db2.gz TYRQQGORTFPIEC-HOTGVXAUSA-N 0 3 247.382 3.495 20 0 BGADHN CO[C@H](CC(C)C)CN1CC[C@@H]1c1ccccc1 ZINC000419219864 192105914 /nfs/dbraw/zinc/10/59/14/192105914.db2.gz TYRQQGORTFPIEC-HZPDHXFCSA-N 0 3 247.382 3.495 20 0 BGADHN CO[C@@H](CC(C)C)CN1CC[C@@H]1c1ccccc1 ZINC000419219865 192106335 /nfs/dbraw/zinc/10/63/35/192106335.db2.gz TYRQQGORTFPIEC-JKSUJKDBSA-N 0 3 247.382 3.495 20 0 BGADHN CO[C@H](CNC1(c2ccccc2)CC1)CC(C)C ZINC000419228610 192107668 /nfs/dbraw/zinc/10/76/68/192107668.db2.gz MMEYEEWOPDDKIX-HNNXBMFYSA-N 0 3 247.382 3.326 20 0 BGADHN CO[C@@H](CNC1(c2ccccc2)CC1)CC(C)C ZINC000419228611 192106839 /nfs/dbraw/zinc/10/68/39/192106839.db2.gz MMEYEEWOPDDKIX-OAHLLOKOSA-N 0 3 247.382 3.326 20 0 BGADHN CC[C@H](CNC(C)(C)c1cccc(F)c1)OC ZINC000419229150 192106898 /nfs/dbraw/zinc/10/68/98/192106898.db2.gz NYEMYZIBRQDGRO-CYBMUJFWSA-N 0 3 239.334 3.075 20 0 BGADHN CC[C@@H](CNC(C)(C)c1cccc(F)c1)OC ZINC000419229151 192107545 /nfs/dbraw/zinc/10/75/45/192107545.db2.gz NYEMYZIBRQDGRO-ZDUSSCGKSA-N 0 3 239.334 3.075 20 0 BGADHN c1ccc(C2(NCCOCC3CCC3)CC2)cc1 ZINC000419235055 192112938 /nfs/dbraw/zinc/11/29/38/192112938.db2.gz YNDNNZJQKJPCBX-UHFFFAOYSA-N 0 3 245.366 3.082 20 0 BGADHN CC[C@@H](CN1CCC=C(c2ccccc2)C1)OC ZINC000419265139 387965649 /nfs/dbraw/zinc/96/56/49/387965649.db2.gz DEMKXLUUXYORSP-INIZCTEOSA-N 0 3 245.366 3.201 20 0 BGADHN CC[C@H](CN1CCC=C(c2ccccc2)C1)OC ZINC000419265140 387966195 /nfs/dbraw/zinc/96/61/95/387966195.db2.gz DEMKXLUUXYORSP-MRXNPFEDSA-N 0 3 245.366 3.201 20 0 BGADHN CC[C@H](CN1CCC(C)=C(c2ccco2)C1)OC ZINC000419269121 192110030 /nfs/dbraw/zinc/11/00/30/192110030.db2.gz NVWGTQPGDIBSGQ-CYBMUJFWSA-N 0 3 249.354 3.184 20 0 BGADHN CC[C@@H](CN1CCC(C)=C(c2ccco2)C1)OC ZINC000419269122 192110301 /nfs/dbraw/zinc/11/03/01/192110301.db2.gz NVWGTQPGDIBSGQ-ZDUSSCGKSA-N 0 3 249.354 3.184 20 0 BGADHN CO[C@H](CC(C)C)CN(C)Cc1occc1C ZINC000419269344 192110372 /nfs/dbraw/zinc/11/03/72/192110372.db2.gz BHXSWUJRAPCMHO-CYBMUJFWSA-N 0 3 239.359 3.081 20 0 BGADHN CO[C@@H](CC(C)C)CN(C)Cc1occc1C ZINC000419269345 192110202 /nfs/dbraw/zinc/11/02/02/192110202.db2.gz BHXSWUJRAPCMHO-ZDUSSCGKSA-N 0 3 239.359 3.081 20 0 BGADHN CC[C@H](CNC(C)(C)c1ccccc1F)OC ZINC000419278881 192112516 /nfs/dbraw/zinc/11/25/16/192112516.db2.gz HVUMRPXHERNVRR-LLVKDONJSA-N 0 3 239.334 3.075 20 0 BGADHN CC[C@@H](CNC(C)(C)c1ccccc1F)OC ZINC000419278882 192112631 /nfs/dbraw/zinc/11/26/31/192112631.db2.gz HVUMRPXHERNVRR-NSHDSACASA-N 0 3 239.334 3.075 20 0 BGADHN CO[C@@H](CC(C)C)CN1Cc2ccc(C)cc2C1 ZINC000419290150 192117532 /nfs/dbraw/zinc/11/75/32/192117532.db2.gz JVJDGASCCUBJCR-INIZCTEOSA-N 0 3 247.382 3.372 20 0 BGADHN CO[C@H](CC(C)C)CN1Cc2ccc(C)cc2C1 ZINC000419290154 192117977 /nfs/dbraw/zinc/11/79/77/192117977.db2.gz JVJDGASCCUBJCR-MRXNPFEDSA-N 0 3 247.382 3.372 20 0 BGADHN CO[C@@H](CC(C)C)CN1CCC(F)(F)[C@H](C)C1 ZINC000419291463 192117664 /nfs/dbraw/zinc/11/76/64/192117664.db2.gz ZYVLQTVQCUFRRG-NEPJUHHUSA-N 0 3 249.345 3.025 20 0 BGADHN CO[C@H](CC(C)C)CN1CCC(F)(F)[C@@H](C)C1 ZINC000419291464 192117961 /nfs/dbraw/zinc/11/79/61/192117961.db2.gz ZYVLQTVQCUFRRG-NWDGAFQWSA-N 0 3 249.345 3.025 20 0 BGADHN CO[C@@H](CC(C)C)CN1CCC(F)(F)[C@@H](C)C1 ZINC000419291465 192118374 /nfs/dbraw/zinc/11/83/74/192118374.db2.gz ZYVLQTVQCUFRRG-RYUDHWBXSA-N 0 3 249.345 3.025 20 0 BGADHN CO[C@H](CC(C)C)CN1CCC(F)(F)[C@H](C)C1 ZINC000419291466 192117869 /nfs/dbraw/zinc/11/78/69/192117869.db2.gz ZYVLQTVQCUFRRG-VXGBXAGGSA-N 0 3 249.345 3.025 20 0 BGADHN CC[C@H](NCc1ncc(C2CC2)o1)[C@H]1CC1(C)C ZINC000419311033 192120232 /nfs/dbraw/zinc/12/02/32/192120232.db2.gz DIDUHPMZVXGCRM-NEPJUHHUSA-N 0 3 248.370 3.466 20 0 BGADHN CC[C@@H](NCc1ncc(C2CC2)o1)[C@@H]1CC1(C)C ZINC000419311034 192120286 /nfs/dbraw/zinc/12/02/86/192120286.db2.gz DIDUHPMZVXGCRM-NWDGAFQWSA-N 0 3 248.370 3.466 20 0 BGADHN CC[C@H](NCc1ncc(C2CC2)o1)[C@@H]1CC1(C)C ZINC000419311035 192119668 /nfs/dbraw/zinc/11/96/68/192119668.db2.gz DIDUHPMZVXGCRM-RYUDHWBXSA-N 0 3 248.370 3.466 20 0 BGADHN CC[C@@H](NCc1ncc(C2CC2)o1)[C@H]1CC1(C)C ZINC000419311036 192120682 /nfs/dbraw/zinc/12/06/82/192120682.db2.gz DIDUHPMZVXGCRM-VXGBXAGGSA-N 0 3 248.370 3.466 20 0 BGADHN CC[C@@H](CN(C)C/C(C)=C\c1ccccc1)OC ZINC000419319838 192120947 /nfs/dbraw/zinc/12/09/47/192120947.db2.gz ZYXZOFKQBKZFOK-QBOMHBFWSA-N 0 3 247.382 3.447 20 0 BGADHN CC[C@H](CN(C)C/C(C)=C\c1ccccc1)OC ZINC000419319839 192120803 /nfs/dbraw/zinc/12/08/03/192120803.db2.gz ZYXZOFKQBKZFOK-SYCZXOQXSA-N 0 3 247.382 3.447 20 0 BGADHN CC[C@@H](CN(C)C/C(C)=C/c1ccccc1)OC ZINC000419319841 192121258 /nfs/dbraw/zinc/12/12/58/192121258.db2.gz ZYXZOFKQBKZFOK-UKYUDJEDSA-N 0 3 247.382 3.447 20 0 BGADHN CC[C@H](CN(C)C/C(C)=C/c1ccccc1)OC ZINC000419319846 192121589 /nfs/dbraw/zinc/12/15/89/192121589.db2.gz ZYXZOFKQBKZFOK-WSYSLRRZSA-N 0 3 247.382 3.447 20 0 BGADHN CC[C@@H](NCc1nccn1C(C)C)[C@H]1CC1(C)C ZINC000419320796 192120875 /nfs/dbraw/zinc/12/08/75/192120875.db2.gz QJNSOVSSISOCRB-CHWSQXEVSA-N 0 3 249.402 3.378 20 0 BGADHN CC[C@H](NCc1nccn1C(C)C)[C@H]1CC1(C)C ZINC000419320797 192120806 /nfs/dbraw/zinc/12/08/06/192120806.db2.gz QJNSOVSSISOCRB-OLZOCXBDSA-N 0 3 249.402 3.378 20 0 BGADHN CC[C@@H](NCc1nccn1C(C)C)[C@@H]1CC1(C)C ZINC000419320798 192121004 /nfs/dbraw/zinc/12/10/04/192121004.db2.gz QJNSOVSSISOCRB-QWHCGFSZSA-N 0 3 249.402 3.378 20 0 BGADHN CC[C@H](NCc1nccn1C(C)C)[C@@H]1CC1(C)C ZINC000419320799 192121553 /nfs/dbraw/zinc/12/15/53/192121553.db2.gz QJNSOVSSISOCRB-STQMWFEESA-N 0 3 249.402 3.378 20 0 BGADHN CC[C@H](NCc1cc(OC)ccn1)[C@@H]1CC1(C)C ZINC000419324975 192121826 /nfs/dbraw/zinc/12/18/26/192121826.db2.gz WMRDCBNYQDAHJC-KBPBESRZSA-N 0 3 248.370 3.005 20 0 BGADHN CC[C@H](NCc1cc(OC)ccn1)[C@H]1CC1(C)C ZINC000419324976 192122174 /nfs/dbraw/zinc/12/21/74/192122174.db2.gz WMRDCBNYQDAHJC-KGLIPLIRSA-N 0 3 248.370 3.005 20 0 BGADHN CC[C@@H](NCc1cc(OC)ccn1)[C@@H]1CC1(C)C ZINC000419324977 192122526 /nfs/dbraw/zinc/12/25/26/192122526.db2.gz WMRDCBNYQDAHJC-UONOGXRCSA-N 0 3 248.370 3.005 20 0 BGADHN CC[C@@H](NCc1cc(OC)ccn1)[C@H]1CC1(C)C ZINC000419324978 192122463 /nfs/dbraw/zinc/12/24/63/192122463.db2.gz WMRDCBNYQDAHJC-ZIAGYGMSSA-N 0 3 248.370 3.005 20 0 BGADHN C[C@H]1[C@@H](C)N(Cc2ccncc2Cl)C[C@H]1C ZINC000419329118 192129149 /nfs/dbraw/zinc/12/91/49/192129149.db2.gz AWCFPAHDKDUAAJ-GMTAPVOTSA-N 0 3 238.762 3.211 20 0 BGADHN C[C@@H]1[C@H](C)CN(Cc2ccncc2Cl)[C@H]1C ZINC000419329120 192129219 /nfs/dbraw/zinc/12/92/19/192129219.db2.gz AWCFPAHDKDUAAJ-MXWKQRLJSA-N 0 3 238.762 3.211 20 0 BGADHN C[C@@H]1[C@@H](C)[C@H](C)CN1Cc1ccncc1Cl ZINC000419329121 192128938 /nfs/dbraw/zinc/12/89/38/192128938.db2.gz AWCFPAHDKDUAAJ-OUAUKWLOSA-N 0 3 238.762 3.211 20 0 BGADHN C[C@@H]1CN(Cc2ccncc2Cl)[C@@H](C)[C@H]1C ZINC000419329122 192128651 /nfs/dbraw/zinc/12/86/51/192128651.db2.gz AWCFPAHDKDUAAJ-VWYCJHECSA-N 0 3 238.762 3.211 20 0 BGADHN CC(=O)c1cccc(CN2C[C@H](C)[C@H](C)[C@@H]2C)c1 ZINC000419331189 192123339 /nfs/dbraw/zinc/12/33/39/192123339.db2.gz COQUSEDVIQDMTK-AVGNSLFASA-N 0 3 245.366 3.366 20 0 BGADHN CC(=O)c1cccc(CN2C[C@H](C)[C@H](C)[C@H]2C)c1 ZINC000419331190 192123082 /nfs/dbraw/zinc/12/30/82/192123082.db2.gz COQUSEDVIQDMTK-RWMBFGLXSA-N 0 3 245.366 3.366 20 0 BGADHN CC(=O)c1cccc(CN2C[C@H](C)[C@@H](C)[C@@H]2C)c1 ZINC000419331191 192123931 /nfs/dbraw/zinc/12/39/31/192123931.db2.gz COQUSEDVIQDMTK-XQQFMLRXSA-N 0 3 245.366 3.366 20 0 BGADHN CC(=O)c1cccc(CN2C[C@H](C)[C@@H](C)[C@H]2C)c1 ZINC000419331193 192123421 /nfs/dbraw/zinc/12/34/21/192123421.db2.gz COQUSEDVIQDMTK-YNEHKIRRSA-N 0 3 245.366 3.366 20 0 BGADHN CCOCCN[C@H](C)c1ccc(C2CC2)cc1 ZINC000419332409 192123060 /nfs/dbraw/zinc/12/30/60/192123060.db2.gz HSTUANOCKXONTQ-GFCCVEGCSA-N 0 3 233.355 3.251 20 0 BGADHN CCOCCN[C@@H](C)c1ccc(C2CC2)cc1 ZINC000419332410 192123500 /nfs/dbraw/zinc/12/35/00/192123500.db2.gz HSTUANOCKXONTQ-LBPRGKRZSA-N 0 3 233.355 3.251 20 0 BGADHN Cc1cnc([C@H](C)N2C[C@H](C)[C@@H](C)[C@H]2C)o1 ZINC000419338035 192124564 /nfs/dbraw/zinc/12/45/64/192124564.db2.gz BSAGJRTVXKZFGA-GMNPVEAJSA-N 0 3 222.332 3.020 20 0 BGADHN Cc1cnc([C@H](C)N2C[C@H](C)[C@@H](C)[C@@H]2C)o1 ZINC000419338036 192124946 /nfs/dbraw/zinc/12/49/46/192124946.db2.gz BSAGJRTVXKZFGA-IELRGYKMSA-N 0 3 222.332 3.020 20 0 BGADHN Cc1cnc([C@H](C)N2C[C@H](C)[C@H](C)[C@H]2C)o1 ZINC000419338037 192124504 /nfs/dbraw/zinc/12/45/04/192124504.db2.gz BSAGJRTVXKZFGA-IXLVHKGHSA-N 0 3 222.332 3.020 20 0 BGADHN Cc1cnc([C@H](C)N2C[C@H](C)[C@H](C)[C@@H]2C)o1 ZINC000419338038 192124728 /nfs/dbraw/zinc/12/47/28/192124728.db2.gz BSAGJRTVXKZFGA-VGDYDELISA-N 0 3 222.332 3.020 20 0 BGADHN CN(Cc1ncccn1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000419340333 192125759 /nfs/dbraw/zinc/12/57/59/192125759.db2.gz WMOPBNOREQODRE-CHWSQXEVSA-N 0 3 247.386 3.123 20 0 BGADHN CN(Cc1ncccn1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000419340334 192125397 /nfs/dbraw/zinc/12/53/97/192125397.db2.gz WMOPBNOREQODRE-OLZOCXBDSA-N 0 3 247.386 3.123 20 0 BGADHN CN(Cc1ncccn1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000419340335 192125472 /nfs/dbraw/zinc/12/54/72/192125472.db2.gz WMOPBNOREQODRE-QWHCGFSZSA-N 0 3 247.386 3.123 20 0 BGADHN CN(Cc1ncccn1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000419340336 192126188 /nfs/dbraw/zinc/12/61/88/192126188.db2.gz WMOPBNOREQODRE-STQMWFEESA-N 0 3 247.386 3.123 20 0 BGADHN CN(Cc1ccon1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000419341103 192126276 /nfs/dbraw/zinc/12/62/76/192126276.db2.gz XUIZUJXLJURUJM-CHWSQXEVSA-N 0 3 236.359 3.321 20 0 BGADHN CN(Cc1ccon1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000419341104 192125487 /nfs/dbraw/zinc/12/54/87/192125487.db2.gz XUIZUJXLJURUJM-OLZOCXBDSA-N 0 3 236.359 3.321 20 0 BGADHN CN(Cc1ccon1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000419341105 192125614 /nfs/dbraw/zinc/12/56/14/192125614.db2.gz XUIZUJXLJURUJM-QWHCGFSZSA-N 0 3 236.359 3.321 20 0 BGADHN CN(Cc1ccon1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000419341106 192125925 /nfs/dbraw/zinc/12/59/25/192125925.db2.gz XUIZUJXLJURUJM-STQMWFEESA-N 0 3 236.359 3.321 20 0 BGADHN C[C@H](NCCF)c1ccc(C2CC2)cc1 ZINC000419344255 192125813 /nfs/dbraw/zinc/12/58/13/192125813.db2.gz RPCUFXITZNEUPN-JTQLQIEISA-N 0 3 207.292 3.184 20 0 BGADHN C[C@@H](NCCF)c1ccc(C2CC2)cc1 ZINC000419344256 192126148 /nfs/dbraw/zinc/12/61/48/192126148.db2.gz RPCUFXITZNEUPN-SNVBAGLBSA-N 0 3 207.292 3.184 20 0 BGADHN Cc1nc(CN2C[C@H](C)[C@H](C)[C@H]2C)sc1C ZINC000419364555 192128169 /nfs/dbraw/zinc/12/81/69/192128169.db2.gz WPBQPQPGYYMQIN-ATZCPNFKSA-N 0 3 238.400 3.236 20 0 BGADHN Cc1nc(CN2C[C@H](C)[C@@H](C)[C@H]2C)sc1C ZINC000419364556 192127874 /nfs/dbraw/zinc/12/78/74/192127874.db2.gz WPBQPQPGYYMQIN-IQJOONFLSA-N 0 3 238.400 3.236 20 0 BGADHN Cc1nc(CN2C[C@H](C)[C@@H](C)[C@@H]2C)sc1C ZINC000419364557 192128233 /nfs/dbraw/zinc/12/82/33/192128233.db2.gz WPBQPQPGYYMQIN-NGZCFLSTSA-N 0 3 238.400 3.236 20 0 BGADHN Cc1nc(CN2C[C@H](C)[C@H](C)[C@@H]2C)sc1C ZINC000419364558 192128347 /nfs/dbraw/zinc/12/83/47/192128347.db2.gz WPBQPQPGYYMQIN-QXEWZRGKSA-N 0 3 238.400 3.236 20 0 BGADHN Cc1nc(CN2C[C@H](C)[C@@H](C)[C@@H]2C)c(C)s1 ZINC000419375947 192128974 /nfs/dbraw/zinc/12/89/74/192128974.db2.gz SEYCKGIOEQBHEM-AEJSXWLSSA-N 0 3 238.400 3.236 20 0 BGADHN Cc1nc(CN2C[C@H](C)[C@H](C)[C@@H]2C)c(C)s1 ZINC000419375948 192128785 /nfs/dbraw/zinc/12/87/85/192128785.db2.gz SEYCKGIOEQBHEM-GUBZILKMSA-N 0 3 238.400 3.236 20 0 BGADHN Cc1nc(CN2C[C@H](C)[C@@H](C)[C@H]2C)c(C)s1 ZINC000419375949 192129569 /nfs/dbraw/zinc/12/95/69/192129569.db2.gz SEYCKGIOEQBHEM-IVZWLZJFSA-N 0 3 238.400 3.236 20 0 BGADHN Cc1nc(CN2C[C@H](C)[C@H](C)[C@H]2C)c(C)s1 ZINC000419375950 192128946 /nfs/dbraw/zinc/12/89/46/192128946.db2.gz SEYCKGIOEQBHEM-LPEHRKFASA-N 0 3 238.400 3.236 20 0 BGADHN C[C@@H]1[C@@H](C)[C@H](C)CN1Cc1nc2ccccc2o1 ZINC000419388168 192129931 /nfs/dbraw/zinc/12/99/31/192129931.db2.gz GJAIWRFBYIPUNL-GRYCIOLGSA-N 0 3 244.338 3.304 20 0 BGADHN C[C@H]1[C@@H](C)N(Cc2nc3ccccc3o2)C[C@H]1C ZINC000419388177 192130268 /nfs/dbraw/zinc/13/02/68/192130268.db2.gz GJAIWRFBYIPUNL-IJLUTSLNSA-N 0 3 244.338 3.304 20 0 BGADHN C[C@@H]1[C@H](C)CN(Cc2nc3ccccc3o2)[C@H]1C ZINC000419388181 192130028 /nfs/dbraw/zinc/13/00/28/192130028.db2.gz GJAIWRFBYIPUNL-UTUOFQBUSA-N 0 3 244.338 3.304 20 0 BGADHN C[C@@H]1CN(Cc2nc3ccccc3o2)[C@@H](C)[C@H]1C ZINC000419388509 192130054 /nfs/dbraw/zinc/13/00/54/192130054.db2.gz GJAIWRFBYIPUNL-WOPDTQHZSA-N 0 3 244.338 3.304 20 0 BGADHN CCc1cc(N2C[C@@H](CC)O[C@@H](CC)C2)ccn1 ZINC000420641787 192254239 /nfs/dbraw/zinc/25/42/39/192254239.db2.gz ZNARZFOUPADFCN-GASCZTMLSA-N 0 3 248.370 3.038 20 0 BGADHN CCc1cc(N2C[C@H](CC)O[C@@H](CC)C2)ccn1 ZINC000420641788 192253721 /nfs/dbraw/zinc/25/37/21/192253721.db2.gz ZNARZFOUPADFCN-GJZGRUSLSA-N 0 3 248.370 3.038 20 0 BGADHN CCc1cc(N2C[C@@H](CC)O[C@H](CC)C2)ccn1 ZINC000420641789 192253619 /nfs/dbraw/zinc/25/36/19/192253619.db2.gz ZNARZFOUPADFCN-HUUCEWRRSA-N 0 3 248.370 3.038 20 0 BGADHN CCC(CC)(CC)NCc1nn(C)cc1Cl ZINC000420937126 192288075 /nfs/dbraw/zinc/28/80/75/192288075.db2.gz NLQLYUILQHNMIV-UHFFFAOYSA-N 0 3 243.782 3.132 20 0 BGADHN FCCCN1CCC[C@H](CC(F)(F)F)C1 ZINC000420945080 192276163 /nfs/dbraw/zinc/27/61/63/192276163.db2.gz KIQPUUGXBOSZIG-SECBINFHSA-N 0 3 227.245 3.010 20 0 BGADHN FCCCN1CCC[C@@H](CC(F)(F)F)C1 ZINC000420945088 192276952 /nfs/dbraw/zinc/27/69/52/192276952.db2.gz KIQPUUGXBOSZIG-VIFPVBQESA-N 0 3 227.245 3.010 20 0 BGADHN CC[C@@H]1CN(CCSC(C)C)C[C@H](CC)O1 ZINC000420951992 192277894 /nfs/dbraw/zinc/27/78/94/192277894.db2.gz HSLIOEXYYSPCDC-BETUJISGSA-N 0 3 245.432 3.017 20 0 BGADHN CC[C@@H]1CN(CCSC(C)C)C[C@@H](CC)O1 ZINC000420952005 192277941 /nfs/dbraw/zinc/27/79/41/192277941.db2.gz HSLIOEXYYSPCDC-CHWSQXEVSA-N 0 3 245.432 3.017 20 0 BGADHN CC[C@H]1CN(CCSC(C)C)C[C@H](CC)O1 ZINC000420952006 192278513 /nfs/dbraw/zinc/27/85/13/192278513.db2.gz HSLIOEXYYSPCDC-STQMWFEESA-N 0 3 245.432 3.017 20 0 BGADHN CSCCN1CCC[C@H](CC(F)(F)F)C1 ZINC000420955600 192279321 /nfs/dbraw/zinc/27/93/21/192279321.db2.gz WPZHIWVNBCOIDI-SECBINFHSA-N 0 3 241.322 3.014 20 0 BGADHN CSCCN1CCC[C@@H](CC(F)(F)F)C1 ZINC000420955603 192279541 /nfs/dbraw/zinc/27/95/41/192279541.db2.gz WPZHIWVNBCOIDI-VIFPVBQESA-N 0 3 241.322 3.014 20 0 BGADHN Fc1cnccc1CN1CC[C@@H](C2CCCC2)C1 ZINC000420959176 192281532 /nfs/dbraw/zinc/28/15/32/192281532.db2.gz DKQPORGWGGNVJN-CYBMUJFWSA-N 0 3 248.345 3.233 20 0 BGADHN Fc1cnccc1CN1CC[C@H](C2CCCC2)C1 ZINC000420959181 192281763 /nfs/dbraw/zinc/28/17/63/192281763.db2.gz DKQPORGWGGNVJN-ZDUSSCGKSA-N 0 3 248.345 3.233 20 0 BGADHN Fc1cncc(CN2CC[C@H](C3CCCC3)C2)c1 ZINC000420959196 192281715 /nfs/dbraw/zinc/28/17/15/192281715.db2.gz DNRQDAAXDACVBM-AWEZNQCLSA-N 0 3 248.345 3.233 20 0 BGADHN Fc1cncc(CN2CC[C@@H](C3CCCC3)C2)c1 ZINC000420959360 192281674 /nfs/dbraw/zinc/28/16/74/192281674.db2.gz DNRQDAAXDACVBM-CQSZACIVSA-N 0 3 248.345 3.233 20 0 BGADHN Fc1ccc(CN2CC[C@@H](C3CCCC3)C2)nc1 ZINC000420961996 192283933 /nfs/dbraw/zinc/28/39/33/192283933.db2.gz JVILGOOIDZVPHS-CYBMUJFWSA-N 0 3 248.345 3.233 20 0 BGADHN Fc1ccc(CN2CC[C@H](C3CCCC3)C2)nc1 ZINC000420961997 192282713 /nfs/dbraw/zinc/28/27/13/192282713.db2.gz JVILGOOIDZVPHS-ZDUSSCGKSA-N 0 3 248.345 3.233 20 0 BGADHN CC[C@@H]1CN(CCCCCF)C[C@H](CC)O1 ZINC000420964662 192282923 /nfs/dbraw/zinc/28/29/23/192282923.db2.gz XDQUVBVSZYPLEZ-BETUJISGSA-N 0 3 231.355 3.016 20 0 BGADHN CC[C@@H]1CN(CCCCCF)C[C@@H](CC)O1 ZINC000420964663 192282641 /nfs/dbraw/zinc/28/26/41/192282641.db2.gz XDQUVBVSZYPLEZ-CHWSQXEVSA-N 0 3 231.355 3.016 20 0 BGADHN CC[C@H]1CN(CCCCCF)C[C@H](CC)O1 ZINC000420964665 192283871 /nfs/dbraw/zinc/28/38/71/192283871.db2.gz XDQUVBVSZYPLEZ-STQMWFEESA-N 0 3 231.355 3.016 20 0 BGADHN CCOCCN[C@H](CC(F)F)c1ccccc1 ZINC000420984486 192289648 /nfs/dbraw/zinc/28/96/48/192289648.db2.gz GEBNSHOHUCAUFQ-GFCCVEGCSA-N 0 3 243.297 3.009 20 0 BGADHN CCOCCN[C@@H](CC(F)F)c1ccccc1 ZINC000420984487 192289699 /nfs/dbraw/zinc/28/96/99/192289699.db2.gz GEBNSHOHUCAUFQ-LBPRGKRZSA-N 0 3 243.297 3.009 20 0 BGADHN CSCCN[C@H](CC(F)F)c1ccccc1 ZINC000420985955 192290264 /nfs/dbraw/zinc/29/02/64/192290264.db2.gz KLPIJFQKNARDQE-LLVKDONJSA-N 0 3 245.338 3.336 20 0 BGADHN CSCCN[C@@H](CC(F)F)c1ccccc1 ZINC000420985956 192292062 /nfs/dbraw/zinc/29/20/62/192292062.db2.gz KLPIJFQKNARDQE-NSHDSACASA-N 0 3 245.338 3.336 20 0 BGADHN CO[C@@H](C)CN[C@H](CC(F)F)c1ccccc1 ZINC000420993697 192292239 /nfs/dbraw/zinc/29/22/39/192292239.db2.gz MFNGHWNKEMMLKN-CMPLNLGQSA-N 0 3 243.297 3.007 20 0 BGADHN CO[C@@H](C)CN[C@@H](CC(F)F)c1ccccc1 ZINC000420993698 192292038 /nfs/dbraw/zinc/29/20/38/192292038.db2.gz MFNGHWNKEMMLKN-JQWIXIFHSA-N 0 3 243.297 3.007 20 0 BGADHN CO[C@H](C)CN[C@@H](CC(F)F)c1ccccc1 ZINC000420993699 192292615 /nfs/dbraw/zinc/29/26/15/192292615.db2.gz MFNGHWNKEMMLKN-PWSUYJOCSA-N 0 3 243.297 3.007 20 0 BGADHN CO[C@H](C)CN[C@H](CC(F)F)c1ccccc1 ZINC000420993700 192292042 /nfs/dbraw/zinc/29/20/42/192292042.db2.gz MFNGHWNKEMMLKN-ZYHUDNBSSA-N 0 3 243.297 3.007 20 0 BGADHN FCCCN[C@H](CC(F)F)c1ccccc1 ZINC000421003130 192298181 /nfs/dbraw/zinc/29/81/81/192298181.db2.gz YZHGMHMUGBKRMW-LLVKDONJSA-N 0 3 231.261 3.332 20 0 BGADHN FCCCN[C@@H](CC(F)F)c1ccccc1 ZINC000421003131 192298831 /nfs/dbraw/zinc/29/88/31/192298831.db2.gz YZHGMHMUGBKRMW-NSHDSACASA-N 0 3 231.261 3.332 20 0 BGADHN CC[C@H](F)CN(C)C1CC(OC(C)(C)C)C1 ZINC000421008379 192299618 /nfs/dbraw/zinc/29/96/18/192299618.db2.gz MEKMCTCKYJUMCC-UNXYVOJBSA-N 0 3 231.355 3.012 20 0 BGADHN CC[C@@H](F)CN(C)C1CC(OC(C)(C)C)C1 ZINC000421008380 192300071 /nfs/dbraw/zinc/30/00/71/192300071.db2.gz MEKMCTCKYJUMCC-VOMCLLRMSA-N 0 3 231.355 3.012 20 0 BGADHN C[C@@H]1CCC[C@@H](CCN2CC[C@@]23CCOC3)C1 ZINC000421014640 192302231 /nfs/dbraw/zinc/30/22/31/192302231.db2.gz HMPPZOUDKNJSQL-ILXRZTDVSA-N 0 3 237.387 3.068 20 0 BGADHN C[C@@H]1CCC[C@H](CCN2CC[C@@]23CCOC3)C1 ZINC000421014643 192301937 /nfs/dbraw/zinc/30/19/37/192301937.db2.gz HMPPZOUDKNJSQL-KFWWJZLASA-N 0 3 237.387 3.068 20 0 BGADHN C[C@@H]1CCC[C@@H](CCN2CC[C@]23CCOC3)C1 ZINC000421014646 192301251 /nfs/dbraw/zinc/30/12/51/192301251.db2.gz HMPPZOUDKNJSQL-QLFBSQMISA-N 0 3 237.387 3.068 20 0 BGADHN C[C@@H]1CCC[C@H](CCN2CC[C@]23CCOC3)C1 ZINC000421014648 192303087 /nfs/dbraw/zinc/30/30/87/192303087.db2.gz HMPPZOUDKNJSQL-RBSFLKMASA-N 0 3 237.387 3.068 20 0 BGADHN COCCN(C(C)C)[C@H](C)c1ccsc1 ZINC000421016302 192303649 /nfs/dbraw/zinc/30/36/49/192303649.db2.gz UPDGQGBYPLWLRP-LLVKDONJSA-N 0 3 227.373 3.166 20 0 BGADHN COCCN(C(C)C)[C@@H](C)c1ccsc1 ZINC000421016303 192303702 /nfs/dbraw/zinc/30/37/02/192303702.db2.gz UPDGQGBYPLWLRP-NSHDSACASA-N 0 3 227.373 3.166 20 0 BGADHN CCCc1ccc(CN2CC[C@@]23CCOC3)cc1 ZINC000421027794 192309641 /nfs/dbraw/zinc/30/96/41/192309641.db2.gz VNUCKMDDKXCQIY-INIZCTEOSA-N 0 3 245.366 3.004 20 0 BGADHN CCCc1ccc(CN2CC[C@]23CCOC3)cc1 ZINC000421027800 192310169 /nfs/dbraw/zinc/31/01/69/192310169.db2.gz VNUCKMDDKXCQIY-MRXNPFEDSA-N 0 3 245.366 3.004 20 0 BGADHN COc1ccc2c(c1)OC(C)(C)CN(C(C)C)C2 ZINC000421035936 192311044 /nfs/dbraw/zinc/31/10/44/192311044.db2.gz IOOKNBZUZKXBKA-UHFFFAOYSA-N 0 3 249.354 3.077 20 0 BGADHN CC(C)c1ccc(CN2CC[C@@]23CCOC3)cc1 ZINC000421036226 192310990 /nfs/dbraw/zinc/31/09/90/192310990.db2.gz PZIYHQDAEZJCCP-INIZCTEOSA-N 0 3 245.366 3.175 20 0 BGADHN CC(C)c1ccc(CN2CC[C@]23CCOC3)cc1 ZINC000421036229 192311120 /nfs/dbraw/zinc/31/11/20/192311120.db2.gz PZIYHQDAEZJCCP-MRXNPFEDSA-N 0 3 245.366 3.175 20 0 BGADHN CCCN1Cc2ccc(OC)cc2OC(C)(C)C1 ZINC000421037826 192311763 /nfs/dbraw/zinc/31/17/63/192311763.db2.gz KUJYKPDPINNGOK-UHFFFAOYSA-N 0 3 249.354 3.078 20 0 BGADHN CSCCN(C)Cc1cccc(C2CC2)c1 ZINC000421318558 192317058 /nfs/dbraw/zinc/31/70/58/192317058.db2.gz GGJDBCFMIHDYBL-UHFFFAOYSA-N 0 3 235.396 3.359 20 0 BGADHN C[C@H]1COCCN(Cc2cccc(C3CC3)c2)C1 ZINC000421318931 192316717 /nfs/dbraw/zinc/31/67/17/192316717.db2.gz JAAKKGXGBNFEQP-CYBMUJFWSA-N 0 3 245.366 3.032 20 0 BGADHN C[C@@H]1COCCN(Cc2cccc(C3CC3)c2)C1 ZINC000421318932 192316798 /nfs/dbraw/zinc/31/67/98/192316798.db2.gz JAAKKGXGBNFEQP-ZDUSSCGKSA-N 0 3 245.366 3.032 20 0 BGADHN C[C@@H]1CN(Cc2cccc(C3CC3)c2)CCCO1 ZINC000421319217 192317051 /nfs/dbraw/zinc/31/70/51/192317051.db2.gz LDKONEDZTGQSII-CYBMUJFWSA-N 0 3 245.366 3.175 20 0 BGADHN C[C@H]1CN(Cc2cccc(C3CC3)c2)CCCO1 ZINC000421319218 192316394 /nfs/dbraw/zinc/31/63/94/192316394.db2.gz LDKONEDZTGQSII-ZDUSSCGKSA-N 0 3 245.366 3.175 20 0 BGADHN CCN(CCOC)Cc1cccc(C2CC2)c1 ZINC000421320061 192316401 /nfs/dbraw/zinc/31/64/01/192316401.db2.gz ADWIDZLOJVUHPG-UHFFFAOYSA-N 0 3 233.355 3.032 20 0 BGADHN COC1CCN(Cc2cccc(C3CC3)c2)CC1 ZINC000421320804 192316894 /nfs/dbraw/zinc/31/68/94/192316894.db2.gz AZGLWLSXNXOFGU-UHFFFAOYSA-N 0 3 245.366 3.175 20 0 BGADHN COCCN(Cc1cccc(C2CC2)c1)C1CC1 ZINC000421321021 192317305 /nfs/dbraw/zinc/31/73/05/192317305.db2.gz BVKSMUBFBLLZSW-UHFFFAOYSA-N 0 3 245.366 3.175 20 0 BGADHN c1coc(CNC2CC3(C2)CCCCC3)c1 ZINC000421322362 192317852 /nfs/dbraw/zinc/31/78/52/192317852.db2.gz DMIYUDVRXZZHAM-UHFFFAOYSA-N 0 3 219.328 3.482 20 0 BGADHN COC[C@@H](C)N(C)Cc1cccc(C2CC2)c1 ZINC000421323130 192318125 /nfs/dbraw/zinc/31/81/25/192318125.db2.gz VOCXULZAYVJKHM-GFCCVEGCSA-N 0 3 233.355 3.031 20 0 BGADHN COC[C@H](C)N(C)Cc1cccc(C2CC2)c1 ZINC000421323131 192318074 /nfs/dbraw/zinc/31/80/74/192318074.db2.gz VOCXULZAYVJKHM-LBPRGKRZSA-N 0 3 233.355 3.031 20 0 BGADHN c1cc(CN2CCSCC2)cc(C2CC2)c1 ZINC000421326682 192317516 /nfs/dbraw/zinc/31/75/16/192317516.db2.gz HODFANDWZPAVPO-UHFFFAOYSA-N 0 3 233.380 3.113 20 0 BGADHN CN(Cc1cccc(C2CC2)c1)C[C@@H]1CCCO1 ZINC000421326938 192318039 /nfs/dbraw/zinc/31/80/39/192318039.db2.gz HYVNBIBYJDLIPD-INIZCTEOSA-N 0 3 245.366 3.175 20 0 BGADHN CN(Cc1cccc(C2CC2)c1)C[C@H]1CCCO1 ZINC000421326940 192318380 /nfs/dbraw/zinc/31/83/80/192318380.db2.gz HYVNBIBYJDLIPD-MRXNPFEDSA-N 0 3 245.366 3.175 20 0 BGADHN c1cc(CNC2CC3(C2)CCCCC3)co1 ZINC000421327564 192317701 /nfs/dbraw/zinc/31/77/01/192317701.db2.gz QKYWDDAIGBWAES-UHFFFAOYSA-N 0 3 219.328 3.482 20 0 BGADHN CO[C@H]1CCCN(Cc2cccc(C3CC3)c2)C1 ZINC000421331287 192318117 /nfs/dbraw/zinc/31/81/17/192318117.db2.gz SMCNWNRCJSCOJR-INIZCTEOSA-N 0 3 245.366 3.175 20 0 BGADHN CO[C@@H]1CCCN(Cc2cccc(C3CC3)c2)C1 ZINC000421331290 192317687 /nfs/dbraw/zinc/31/76/87/192317687.db2.gz SMCNWNRCJSCOJR-MRXNPFEDSA-N 0 3 245.366 3.175 20 0 BGADHN CN(Cc1cccc(C2CC2)c1)C1CC1 ZINC000421332724 388026489 /nfs/dbraw/zinc/02/64/89/388026489.db2.gz VRXFAYZKJLSBLC-UHFFFAOYSA-N 0 3 201.313 3.158 20 0 BGADHN CCOCCN(C)Cc1cccc(C2CC2)c1 ZINC000421337038 388026651 /nfs/dbraw/zinc/02/66/51/388026651.db2.gz BIUZKMJFIMQZNN-UHFFFAOYSA-N 0 3 233.355 3.032 20 0 BGADHN CC(C)(CF)NCc1cccc(C2CC2)c1 ZINC000421337506 192318754 /nfs/dbraw/zinc/31/87/54/192318754.db2.gz CSLCEDPWHJZFSH-UHFFFAOYSA-N 0 3 221.319 3.402 20 0 BGADHN Fc1ccc(CNC2CC3(C2)CCCCC3)nc1 ZINC000421344144 192318617 /nfs/dbraw/zinc/31/86/17/192318617.db2.gz SCLRXFDLZMJQTM-UHFFFAOYSA-N 0 3 248.345 3.423 20 0 BGADHN C[C@@H](CF)NCc1cccc(C2CC2)c1 ZINC000421352152 192320373 /nfs/dbraw/zinc/32/03/73/192320373.db2.gz DFDMKWRMNMZTJA-JTQLQIEISA-N 0 3 207.292 3.012 20 0 BGADHN C[C@H](CF)NCc1cccc(C2CC2)c1 ZINC000421352153 192320400 /nfs/dbraw/zinc/32/04/00/192320400.db2.gz DFDMKWRMNMZTJA-SNVBAGLBSA-N 0 3 207.292 3.012 20 0 BGADHN CN(Cc1cccc(C2CC2)c1)[C@H]1CCCOC1 ZINC000421354462 192321909 /nfs/dbraw/zinc/32/19/09/192321909.db2.gz HQDLJSKAYMFHBF-INIZCTEOSA-N 0 3 245.366 3.175 20 0 BGADHN CN(Cc1cccc(C2CC2)c1)[C@@H]1CCCOC1 ZINC000421354463 192322135 /nfs/dbraw/zinc/32/21/35/192322135.db2.gz HQDLJSKAYMFHBF-MRXNPFEDSA-N 0 3 245.366 3.175 20 0 BGADHN CO[C@H](C)CN(C)Cc1cccc(C2CC2)c1 ZINC000421355884 192322042 /nfs/dbraw/zinc/32/20/42/192322042.db2.gz JXRMELIRMBHAEL-GFCCVEGCSA-N 0 3 233.355 3.031 20 0 BGADHN CO[C@@H](C)CN(C)Cc1cccc(C2CC2)c1 ZINC000421355885 192322187 /nfs/dbraw/zinc/32/21/87/192322187.db2.gz JXRMELIRMBHAEL-LBPRGKRZSA-N 0 3 233.355 3.031 20 0 BGADHN CCN(Cc1cccc(C2CC2)c1)[C@H]1CCOC1 ZINC000421355900 192321271 /nfs/dbraw/zinc/32/12/71/192321271.db2.gz KBNXEOMHIBJZHK-INIZCTEOSA-N 0 3 245.366 3.175 20 0 BGADHN CCN(Cc1cccc(C2CC2)c1)[C@@H]1CCOC1 ZINC000421355901 192321890 /nfs/dbraw/zinc/32/18/90/192321890.db2.gz KBNXEOMHIBJZHK-MRXNPFEDSA-N 0 3 245.366 3.175 20 0 BGADHN FC(F)[C@H]1C[C@@H]1NCc1cccc(C2CC2)c1 ZINC000421358762 192332025 /nfs/dbraw/zinc/33/20/25/192332025.db2.gz UONNUZOCUDXMCW-STQMWFEESA-N 0 3 237.293 3.307 20 0 BGADHN CCn1cc(CNC2CC3(C2)CCCCC3)cn1 ZINC000421363215 192333884 /nfs/dbraw/zinc/33/38/84/192333884.db2.gz LBLYQPTURWETPW-UHFFFAOYSA-N 0 3 247.386 3.106 20 0 BGADHN Cn1ccc(CNCc2cccc(C3CC3)c2)c1 ZINC000421365169 192333718 /nfs/dbraw/zinc/33/37/18/192333718.db2.gz QDAXAXLZDYDDAT-UHFFFAOYSA-N 0 3 240.350 3.192 20 0 BGADHN CC[C@H](C)CNCc1ncc(C(C)C)s1 ZINC000421366245 192334284 /nfs/dbraw/zinc/33/42/84/192334284.db2.gz AAWMZUYMZVDAJY-JTQLQIEISA-N 0 3 226.389 3.402 20 0 BGADHN CC[C@@H](C)CNCc1ncc(C(C)C)s1 ZINC000421366246 192333335 /nfs/dbraw/zinc/33/33/35/192333335.db2.gz AAWMZUYMZVDAJY-SNVBAGLBSA-N 0 3 226.389 3.402 20 0 BGADHN COC[C@H](C)N[C@H](CC(F)F)c1ccccc1 ZINC000421368022 192333835 /nfs/dbraw/zinc/33/38/35/192333835.db2.gz FPSKRXWCRFHQBC-CMPLNLGQSA-N 0 3 243.297 3.007 20 0 BGADHN COC[C@H](C)N[C@@H](CC(F)F)c1ccccc1 ZINC000421368023 192334188 /nfs/dbraw/zinc/33/41/88/192334188.db2.gz FPSKRXWCRFHQBC-JQWIXIFHSA-N 0 3 243.297 3.007 20 0 BGADHN COC[C@@H](C)N[C@@H](CC(F)F)c1ccccc1 ZINC000421368024 192333534 /nfs/dbraw/zinc/33/35/34/192333534.db2.gz FPSKRXWCRFHQBC-PWSUYJOCSA-N 0 3 243.297 3.007 20 0 BGADHN COC[C@@H](C)N[C@H](CC(F)F)c1ccccc1 ZINC000421368025 192333223 /nfs/dbraw/zinc/33/32/23/192333223.db2.gz FPSKRXWCRFHQBC-ZYHUDNBSSA-N 0 3 243.297 3.007 20 0 BGADHN Cc1ccc(CNCc2cc(C)nc(C)c2)cc1 ZINC000421368299 192333293 /nfs/dbraw/zinc/33/32/93/192333293.db2.gz BUQYPEGLUMQLIT-UHFFFAOYSA-N 0 3 240.350 3.297 20 0 BGADHN Cc1cccc(CNCc2cc(C)nc(C)c2)c1 ZINC000421371039 192335510 /nfs/dbraw/zinc/33/55/10/192335510.db2.gz DPRXRRICWHRMOB-UHFFFAOYSA-N 0 3 240.350 3.297 20 0 BGADHN CCCc1csc(CNC[C@@H](C)CC)n1 ZINC000421372956 192321443 /nfs/dbraw/zinc/32/14/43/192321443.db2.gz GHQZGSMGDKNUAK-JTQLQIEISA-N 0 3 226.389 3.231 20 0 BGADHN CCCc1csc(CNC[C@H](C)CC)n1 ZINC000421372957 192321184 /nfs/dbraw/zinc/32/11/84/192321184.db2.gz GHQZGSMGDKNUAK-SNVBAGLBSA-N 0 3 226.389 3.231 20 0 BGADHN CCc1ncc(CNC2CC3(C2)CCCCC3)o1 ZINC000421376737 192322592 /nfs/dbraw/zinc/32/25/92/192322592.db2.gz FDVXPQIBJNSFLZ-UHFFFAOYSA-N 0 3 248.370 3.440 20 0 BGADHN Cc1cc(CNCc2ccccc2C)cc(C)n1 ZINC000421377296 192322736 /nfs/dbraw/zinc/32/27/36/192322736.db2.gz JLINDFVJLXHXCU-UHFFFAOYSA-N 0 3 240.350 3.297 20 0 BGADHN Cc1cc(CNCc2cc(C)nc(C)c2)cs1 ZINC000421378656 192323693 /nfs/dbraw/zinc/32/36/93/192323693.db2.gz HUXURWFNOHDGSH-UHFFFAOYSA-N 0 3 246.379 3.358 20 0 BGADHN CN(Cc1cccc(C2CC2)c1)CC(C)(C)CO ZINC000421378994 192324267 /nfs/dbraw/zinc/32/42/67/192324267.db2.gz HZEZRHMRLROKGU-UHFFFAOYSA-N 0 3 247.382 3.014 20 0 BGADHN COCC1(C)CN(Cc2cccc(C3CC3)c2)C1 ZINC000421379345 192324618 /nfs/dbraw/zinc/32/46/18/192324618.db2.gz INHVUNLVACAIBX-UHFFFAOYSA-N 0 3 245.366 3.032 20 0 BGADHN Cc1cc(CNCc2cccs2)cc(C)n1 ZINC000421381073 192324628 /nfs/dbraw/zinc/32/46/28/192324628.db2.gz MGFYUUWDBRJYPB-UHFFFAOYSA-N 0 3 232.352 3.050 20 0 BGADHN Cc1cc(CNCc2cccc(F)c2)cc(C)n1 ZINC000421383400 192326049 /nfs/dbraw/zinc/32/60/49/192326049.db2.gz OCVFATFYBASFCW-UHFFFAOYSA-N 0 3 244.313 3.127 20 0 BGADHN c1cc(CN2CC3(CC3)C2)cc(C2CC2)c1 ZINC000421384628 192325912 /nfs/dbraw/zinc/32/59/12/192325912.db2.gz PCDMMSRRASNQKE-UHFFFAOYSA-N 0 3 213.324 3.160 20 0 BGADHN CC[C@@H](C)CNCc1ncc(CSC)s1 ZINC000421384752 192326174 /nfs/dbraw/zinc/32/61/74/192326174.db2.gz PRYZSRFHOIOIDR-SECBINFHSA-N 0 3 244.429 3.142 20 0 BGADHN CC[C@H](C)CNCc1ncc(CSC)s1 ZINC000421384761 192325193 /nfs/dbraw/zinc/32/51/93/192325193.db2.gz PRYZSRFHOIOIDR-VIFPVBQESA-N 0 3 244.429 3.142 20 0 BGADHN CCn1ccc(CNC2CC3(C2)CCCCC3)n1 ZINC000421385056 192325375 /nfs/dbraw/zinc/32/53/75/192325375.db2.gz PMHBCBHPQVMREX-UHFFFAOYSA-N 0 3 247.386 3.106 20 0 BGADHN Cc1sccc1CNCc1cc(C)nc(C)c1 ZINC000421385274 192325798 /nfs/dbraw/zinc/32/57/98/192325798.db2.gz QNIUUTZCHYVEAY-UHFFFAOYSA-N 0 3 246.379 3.358 20 0 BGADHN Cc1ccc(CNCc2cc(C)nc(C)c2)s1 ZINC000421388467 192327276 /nfs/dbraw/zinc/32/72/76/192327276.db2.gz TUFKLVRRLJQSKP-UHFFFAOYSA-N 0 3 246.379 3.358 20 0 BGADHN c1cc(CN2C[C@@H]3C[C@H]2CS3)cc(C2CC2)c1 ZINC000421389178 192327245 /nfs/dbraw/zinc/32/72/45/192327245.db2.gz WXDVYSYOTGVZLS-GJZGRUSLSA-N 0 3 245.391 3.254 20 0 BGADHN CC[C@@H](C)CNCc1nccn1-c1ccccc1 ZINC000421390867 192327996 /nfs/dbraw/zinc/32/79/96/192327996.db2.gz VLYXIAXOHBIOQU-CYBMUJFWSA-N 0 3 243.354 3.008 20 0 BGADHN CC[C@H](C)CNCc1nccn1-c1ccccc1 ZINC000421390868 192327869 /nfs/dbraw/zinc/32/78/69/192327869.db2.gz VLYXIAXOHBIOQU-ZDUSSCGKSA-N 0 3 243.354 3.008 20 0 BGADHN Cc1cc(CNCc2ccc(F)cc2)cc(C)n1 ZINC000421392030 192327691 /nfs/dbraw/zinc/32/76/91/192327691.db2.gz WYXSDURBFCPMSB-UHFFFAOYSA-N 0 3 244.313 3.127 20 0 BGADHN Cc1ccsc1CNCc1cc(C)nc(C)c1 ZINC000421392965 192328138 /nfs/dbraw/zinc/32/81/38/192328138.db2.gz YBZCVVLSYKQPJO-UHFFFAOYSA-N 0 3 246.379 3.358 20 0 BGADHN C(CC1CCCCC1)CN1CC[C@@]12CCOC2 ZINC000421395605 192329108 /nfs/dbraw/zinc/32/91/08/192329108.db2.gz ANDMCIXCMGKPDT-HNNXBMFYSA-N 0 3 237.387 3.212 20 0 BGADHN C(CC1CCCCC1)CN1CC[C@]12CCOC2 ZINC000421395606 192329669 /nfs/dbraw/zinc/32/96/69/192329669.db2.gz ANDMCIXCMGKPDT-OAHLLOKOSA-N 0 3 237.387 3.212 20 0 BGADHN FC1(F)CC(NCc2cccc(C3CC3)c2)C1 ZINC000421397796 192328894 /nfs/dbraw/zinc/32/88/94/192328894.db2.gz SDQYXJSSJGKJJS-UHFFFAOYSA-N 0 3 237.293 3.451 20 0 BGADHN CCc1nocc1CN1CC[C@@H](C2CCCC2)C1 ZINC000421397819 192328913 /nfs/dbraw/zinc/32/89/13/192328913.db2.gz XTAWJCIUPBXWBY-CYBMUJFWSA-N 0 3 248.370 3.249 20 0 BGADHN CCc1nocc1CN1CC[C@H](C2CCCC2)C1 ZINC000421397820 192329749 /nfs/dbraw/zinc/32/97/49/192329749.db2.gz XTAWJCIUPBXWBY-ZDUSSCGKSA-N 0 3 248.370 3.249 20 0 BGADHN C[C@H](CCN1CC[C@]12CCOC2)c1ccccc1 ZINC000421403211 192331471 /nfs/dbraw/zinc/33/14/71/192331471.db2.gz NSGLXGYEKQZSRP-GDBMZVCRSA-N 0 3 245.366 3.045 20 0 BGADHN C[C@@H](CCN1CC[C@]12CCOC2)c1ccccc1 ZINC000421403212 192331234 /nfs/dbraw/zinc/33/12/34/192331234.db2.gz NSGLXGYEKQZSRP-GOEBONIOSA-N 0 3 245.366 3.045 20 0 BGADHN C[C@@H](CCN1CC[C@@]12CCOC2)c1ccccc1 ZINC000421403213 192330778 /nfs/dbraw/zinc/33/07/78/192330778.db2.gz NSGLXGYEKQZSRP-HOCLYGCPSA-N 0 3 245.366 3.045 20 0 BGADHN C[C@H](CCN1CC[C@@]12CCOC2)c1ccccc1 ZINC000421403214 192330922 /nfs/dbraw/zinc/33/09/22/192330922.db2.gz NSGLXGYEKQZSRP-ZBFHGGJFSA-N 0 3 245.366 3.045 20 0 BGADHN CC1CN(Cc2cccc(C3CC3)c2)C1 ZINC000421405376 192330210 /nfs/dbraw/zinc/33/02/10/192330210.db2.gz YQVNVYARFIYRFR-UHFFFAOYSA-N 0 3 201.313 3.016 20 0 BGADHN C(CN1CC[C@@]12CCOC2)C1CCCCCC1 ZINC000421406065 192330282 /nfs/dbraw/zinc/33/02/82/192330282.db2.gz SFPLRDPJAOHFGQ-HNNXBMFYSA-N 0 3 237.387 3.212 20 0 BGADHN C(CN1CC[C@]12CCOC2)C1CCCCCC1 ZINC000421406066 192331266 /nfs/dbraw/zinc/33/12/66/192331266.db2.gz SFPLRDPJAOHFGQ-OAHLLOKOSA-N 0 3 237.387 3.212 20 0 BGADHN CCCc1cccc(CN2CC[C@@]23CCOC3)c1 ZINC000421406726 192332253 /nfs/dbraw/zinc/33/22/53/192332253.db2.gz UOKVHVVJHQHOAM-INIZCTEOSA-N 0 3 245.366 3.004 20 0 BGADHN CCCc1cccc(CN2CC[C@]23CCOC3)c1 ZINC000421406727 192332100 /nfs/dbraw/zinc/33/21/00/192332100.db2.gz UOKVHVVJHQHOAM-MRXNPFEDSA-N 0 3 245.366 3.004 20 0 BGADHN COc1cc(Cl)ccc1[C@@H](C)NC1CC1 ZINC000421800860 192384310 /nfs/dbraw/zinc/38/43/10/192384310.db2.gz JGIZNWLIAAPOGQ-MRVPVSSYSA-N 0 3 225.719 3.162 20 0 BGADHN COc1cc(Cl)ccc1[C@H](C)NC1CC1 ZINC000421800861 192384085 /nfs/dbraw/zinc/38/40/85/192384085.db2.gz JGIZNWLIAAPOGQ-QMMMGPOBSA-N 0 3 225.719 3.162 20 0 BGADHN COC1([C@@H](C)NCc2ccco2)CCCCC1 ZINC000421801006 192384511 /nfs/dbraw/zinc/38/45/11/192384511.db2.gz JQFYVONWOVBJOB-GFCCVEGCSA-N 0 3 237.343 3.107 20 0 BGADHN COC1([C@H](C)NCc2ccco2)CCCCC1 ZINC000421801007 192384428 /nfs/dbraw/zinc/38/44/28/192384428.db2.gz JQFYVONWOVBJOB-LBPRGKRZSA-N 0 3 237.343 3.107 20 0 BGADHN CC(C)CN[C@H](C)c1ccncc1Cl ZINC000421801253 192384660 /nfs/dbraw/zinc/38/46/60/192384660.db2.gz KLRRQFMMZJLKHT-SECBINFHSA-N 0 3 212.724 3.042 20 0 BGADHN CC(C)CN[C@@H](C)c1ccncc1Cl ZINC000421801256 192384456 /nfs/dbraw/zinc/38/44/56/192384456.db2.gz KLRRQFMMZJLKHT-VIFPVBQESA-N 0 3 212.724 3.042 20 0 BGADHN CCCCN[C@H](C)c1ccncc1Cl ZINC000421802828 192384697 /nfs/dbraw/zinc/38/46/97/192384697.db2.gz OREWRWZSAQETFQ-SECBINFHSA-N 0 3 212.724 3.186 20 0 BGADHN CCCCN[C@@H](C)c1ccncc1Cl ZINC000421802829 192384163 /nfs/dbraw/zinc/38/41/63/192384163.db2.gz OREWRWZSAQETFQ-VIFPVBQESA-N 0 3 212.724 3.186 20 0 BGADHN CC[C@@H](C)N[C@@H](C)c1ccncc1Cl ZINC000421802981 192384115 /nfs/dbraw/zinc/38/41/15/192384115.db2.gz PJDMAGASIYZSEK-BDAKNGLRSA-N 0 3 212.724 3.184 20 0 BGADHN CC[C@H](C)N[C@H](C)c1ccncc1Cl ZINC000421802982 192384266 /nfs/dbraw/zinc/38/42/66/192384266.db2.gz PJDMAGASIYZSEK-DTWKUNHWSA-N 0 3 212.724 3.184 20 0 BGADHN CC[C@H](C)N[C@@H](C)c1ccncc1Cl ZINC000421802984 192384502 /nfs/dbraw/zinc/38/45/02/192384502.db2.gz PJDMAGASIYZSEK-IUCAKERBSA-N 0 3 212.724 3.184 20 0 BGADHN CC[C@@H](C)N[C@H](C)c1ccncc1Cl ZINC000421802985 192384181 /nfs/dbraw/zinc/38/41/81/192384181.db2.gz PJDMAGASIYZSEK-RKDXNWHRSA-N 0 3 212.724 3.184 20 0 BGADHN COc1ccc([C@@H](NC2CC2)C2CC2)c(F)c1 ZINC000421804419 192384851 /nfs/dbraw/zinc/38/48/51/192384851.db2.gz UCCIFSGNIOUGSJ-AWEZNQCLSA-N 0 3 235.302 3.037 20 0 BGADHN COc1ccc([C@H](NC2CC2)C2CC2)c(F)c1 ZINC000421804420 192384213 /nfs/dbraw/zinc/38/42/13/192384213.db2.gz UCCIFSGNIOUGSJ-CQSZACIVSA-N 0 3 235.302 3.037 20 0 BGADHN CC(C)CCN[C@@H](C)c1ccncc1Cl ZINC000421805669 192384891 /nfs/dbraw/zinc/38/48/91/192384891.db2.gz XOGQGZIJQZQWQS-JTQLQIEISA-N 0 3 226.751 3.432 20 0 BGADHN CC(C)CCN[C@H](C)c1ccncc1Cl ZINC000421805670 192384816 /nfs/dbraw/zinc/38/48/16/192384816.db2.gz XOGQGZIJQZQWQS-SNVBAGLBSA-N 0 3 226.751 3.432 20 0 BGADHN COc1ccc([C@@H](NC2CC2)C(C)C)c(F)c1 ZINC000421806507 192385691 /nfs/dbraw/zinc/38/56/91/192385691.db2.gz ZMHFALLGHXGFRV-AWEZNQCLSA-N 0 3 237.318 3.283 20 0 BGADHN COc1ccc([C@H](NC2CC2)C(C)C)c(F)c1 ZINC000421806508 192385432 /nfs/dbraw/zinc/38/54/32/192385432.db2.gz ZMHFALLGHXGFRV-CQSZACIVSA-N 0 3 237.318 3.283 20 0 BGADHN C[C@@H](N[C@@H](C)c1ccncc1Cl)C1CC1 ZINC000421815807 192388795 /nfs/dbraw/zinc/38/87/95/192388795.db2.gz NYQZLJINOYBTLL-BDAKNGLRSA-N 0 3 224.735 3.184 20 0 BGADHN C[C@@H](N[C@@H](C)C1CC1)c1ccncc1Cl ZINC000421815808 192388723 /nfs/dbraw/zinc/38/87/23/192388723.db2.gz NYQZLJINOYBTLL-DTWKUNHWSA-N 0 3 224.735 3.184 20 0 BGADHN C[C@H](N[C@@H](C)C1CC1)c1ccncc1Cl ZINC000421815809 192389055 /nfs/dbraw/zinc/38/90/55/192389055.db2.gz NYQZLJINOYBTLL-IUCAKERBSA-N 0 3 224.735 3.184 20 0 BGADHN C[C@@H](N[C@H](C)C1CC1)c1ccncc1Cl ZINC000421815810 192388945 /nfs/dbraw/zinc/38/89/45/192388945.db2.gz NYQZLJINOYBTLL-RKDXNWHRSA-N 0 3 224.735 3.184 20 0 BGADHN COC1([C@@H](C)NCc2ccoc2)CCCCC1 ZINC000421825274 192386881 /nfs/dbraw/zinc/38/68/81/192386881.db2.gz MSJKZZLKCXZJKB-GFCCVEGCSA-N 0 3 237.343 3.107 20 0 BGADHN COC1([C@H](C)NCc2ccoc2)CCCCC1 ZINC000421825275 192386373 /nfs/dbraw/zinc/38/63/73/192386373.db2.gz MSJKZZLKCXZJKB-LBPRGKRZSA-N 0 3 237.343 3.107 20 0 BGADHN C[C@H](NC[C@@H]1C[C@@H]1C)c1ccncc1Cl ZINC000421826037 192387074 /nfs/dbraw/zinc/38/70/74/192387074.db2.gz QSRKBNBVGUFBKY-GUBZILKMSA-N 0 3 224.735 3.042 20 0 BGADHN C[C@H](NC[C@H]1C[C@H]1C)c1ccncc1Cl ZINC000421826038 192387432 /nfs/dbraw/zinc/38/74/32/192387432.db2.gz QSRKBNBVGUFBKY-KXUCPTDWSA-N 0 3 224.735 3.042 20 0 BGADHN C[C@H](NC[C@H]1C[C@@H]1C)c1ccncc1Cl ZINC000421826039 192387274 /nfs/dbraw/zinc/38/72/74/192387274.db2.gz QSRKBNBVGUFBKY-LPEHRKFASA-N 0 3 224.735 3.042 20 0 BGADHN C[C@H](NC[C@@H]1C[C@H]1C)c1ccncc1Cl ZINC000421826040 192387315 /nfs/dbraw/zinc/38/73/15/192387315.db2.gz QSRKBNBVGUFBKY-UTLUCORTSA-N 0 3 224.735 3.042 20 0 BGADHN C[C@@H](NCC1CCC1)c1ccncc1Cl ZINC000421826933 192387422 /nfs/dbraw/zinc/38/74/22/192387422.db2.gz VNSQDNGZQBDJBT-SECBINFHSA-N 0 3 224.735 3.186 20 0 BGADHN C[C@H](NCC1CCC1)c1ccncc1Cl ZINC000421826934 192386662 /nfs/dbraw/zinc/38/66/62/192386662.db2.gz VNSQDNGZQBDJBT-VIFPVBQESA-N 0 3 224.735 3.186 20 0 BGADHN C[C@@H](NCC(C)(C)C)c1ccncc1Cl ZINC000421826961 192386381 /nfs/dbraw/zinc/38/63/81/192386381.db2.gz VQYBANLOBJLVCP-SECBINFHSA-N 0 3 226.751 3.432 20 0 BGADHN C[C@H](NCC(C)(C)C)c1ccncc1Cl ZINC000421826962 192387254 /nfs/dbraw/zinc/38/72/54/192387254.db2.gz VQYBANLOBJLVCP-VIFPVBQESA-N 0 3 226.751 3.432 20 0 BGADHN COc1ccc([C@@H](NC2CCC2)C2CC2)c(F)c1 ZINC000421830619 192387821 /nfs/dbraw/zinc/38/78/21/192387821.db2.gz BTBLKWZKKFGUBN-HNNXBMFYSA-N 0 3 249.329 3.428 20 0 BGADHN COc1ccc([C@H](NC2CCC2)C2CC2)c(F)c1 ZINC000421830620 192387747 /nfs/dbraw/zinc/38/77/47/192387747.db2.gz BTBLKWZKKFGUBN-OAHLLOKOSA-N 0 3 249.329 3.428 20 0 BGADHN CSCCCN[C@H](C)c1ccncc1Cl ZINC000421831466 533572581 /nfs/dbraw/zinc/57/25/81/533572581.db2.gz LJTRWSBCSFDIHP-SECBINFHSA-N 0 3 244.791 3.139 20 0 BGADHN CSCCCN[C@@H](C)c1ccncc1Cl ZINC000421831468 533572298 /nfs/dbraw/zinc/57/22/98/533572298.db2.gz LJTRWSBCSFDIHP-VIFPVBQESA-N 0 3 244.791 3.139 20 0 BGADHN C[C@H](N[C@@H]1CC1(C)C)c1ccncc1Cl ZINC000421835437 192391463 /nfs/dbraw/zinc/39/14/63/192391463.db2.gz MNTBOOHYNUWOHS-GZMMTYOYSA-N 0 3 224.735 3.184 20 0 BGADHN C[C@@H](N[C@H]1CC1(C)C)c1ccncc1Cl ZINC000421835438 192391167 /nfs/dbraw/zinc/39/11/67/192391167.db2.gz MNTBOOHYNUWOHS-KCJUWKMLSA-N 0 3 224.735 3.184 20 0 BGADHN C[C@H](N[C@H]1CC1(C)C)c1ccncc1Cl ZINC000421835439 192391685 /nfs/dbraw/zinc/39/16/85/192391685.db2.gz MNTBOOHYNUWOHS-KWQFWETISA-N 0 3 224.735 3.184 20 0 BGADHN C[C@@H](N[C@@H]1CC1(C)C)c1ccncc1Cl ZINC000421835440 192391618 /nfs/dbraw/zinc/39/16/18/192391618.db2.gz MNTBOOHYNUWOHS-LDYMZIIASA-N 0 3 224.735 3.184 20 0 BGADHN CS[C@H](C)CN[C@@H](C)c1ccncc1Cl ZINC000421836839 192391366 /nfs/dbraw/zinc/39/13/66/192391366.db2.gz PGGPUFACKRTWOT-BDAKNGLRSA-N 0 3 244.791 3.137 20 0 BGADHN CS[C@@H](C)CN[C@H](C)c1ccncc1Cl ZINC000421836840 192391548 /nfs/dbraw/zinc/39/15/48/192391548.db2.gz PGGPUFACKRTWOT-DTWKUNHWSA-N 0 3 244.791 3.137 20 0 BGADHN CS[C@@H](C)CN[C@@H](C)c1ccncc1Cl ZINC000421836841 192391243 /nfs/dbraw/zinc/39/12/43/192391243.db2.gz PGGPUFACKRTWOT-IUCAKERBSA-N 0 3 244.791 3.137 20 0 BGADHN CS[C@H](C)CN[C@H](C)c1ccncc1Cl ZINC000421836842 192391571 /nfs/dbraw/zinc/39/15/71/192391571.db2.gz PGGPUFACKRTWOT-RKDXNWHRSA-N 0 3 244.791 3.137 20 0 BGADHN CSC[C@@H](C)N[C@@H](C)c1ccncc1Cl ZINC000421838029 192391655 /nfs/dbraw/zinc/39/16/55/192391655.db2.gz ULCPULHPTJKXQB-BDAKNGLRSA-N 0 3 244.791 3.137 20 0 BGADHN CSC[C@H](C)N[C@H](C)c1ccncc1Cl ZINC000421838030 192390977 /nfs/dbraw/zinc/39/09/77/192390977.db2.gz ULCPULHPTJKXQB-DTWKUNHWSA-N 0 3 244.791 3.137 20 0 BGADHN CSC[C@H](C)N[C@@H](C)c1ccncc1Cl ZINC000421838031 192391290 /nfs/dbraw/zinc/39/12/90/192391290.db2.gz ULCPULHPTJKXQB-IUCAKERBSA-N 0 3 244.791 3.137 20 0 BGADHN CSC[C@@H](C)N[C@H](C)c1ccncc1Cl ZINC000421838032 192390932 /nfs/dbraw/zinc/39/09/32/192390932.db2.gz ULCPULHPTJKXQB-RKDXNWHRSA-N 0 3 244.791 3.137 20 0 BGADHN C[C@@H](NC[C@H]1CC1(C)C)c1ccncc1Cl ZINC000421844394 192393840 /nfs/dbraw/zinc/39/38/40/192393840.db2.gz ODOINYGVBIQCGA-NXEZZACHSA-N 0 3 238.762 3.432 20 0 BGADHN C[C@H](NC[C@@H]1CC1(C)C)c1ccncc1Cl ZINC000421844395 192393692 /nfs/dbraw/zinc/39/36/92/192393692.db2.gz ODOINYGVBIQCGA-UWVGGRQHSA-N 0 3 238.762 3.432 20 0 BGADHN C[C@H](NC[C@H]1CC1(C)C)c1ccncc1Cl ZINC000421844396 192393711 /nfs/dbraw/zinc/39/37/11/192393711.db2.gz ODOINYGVBIQCGA-VHSXEESVSA-N 0 3 238.762 3.432 20 0 BGADHN C[C@@H](NC[C@@H]1CC1(C)C)c1ccncc1Cl ZINC000421844397 192393472 /nfs/dbraw/zinc/39/34/72/192393472.db2.gz ODOINYGVBIQCGA-ZJUUUORDSA-N 0 3 238.762 3.432 20 0 BGADHN C[C@@H](NCCC1CC1)c1ccncc1Cl ZINC000421845666 192393019 /nfs/dbraw/zinc/39/30/19/192393019.db2.gz QNNIDHSTIUIPOG-SECBINFHSA-N 0 3 224.735 3.186 20 0 BGADHN C[C@H](NCCC1CC1)c1ccncc1Cl ZINC000421845667 192393212 /nfs/dbraw/zinc/39/32/12/192393212.db2.gz QNNIDHSTIUIPOG-VIFPVBQESA-N 0 3 224.735 3.186 20 0 BGADHN C[C@@H](NCC1(C)CC1)c1ccncc1Cl ZINC000421847103 192393337 /nfs/dbraw/zinc/39/33/37/192393337.db2.gz VZHRYLQKMIYNTQ-SECBINFHSA-N 0 3 224.735 3.186 20 0 BGADHN C[C@H](NCC1(C)CC1)c1ccncc1Cl ZINC000421847104 192393739 /nfs/dbraw/zinc/39/37/39/192393739.db2.gz VZHRYLQKMIYNTQ-VIFPVBQESA-N 0 3 224.735 3.186 20 0 BGADHN CCC1(N[C@H](C)c2ccncc2Cl)CC1 ZINC000421851130 387453593 /nfs/dbraw/zinc/45/35/93/387453593.db2.gz FJXYQXGJGAWANF-SECBINFHSA-N 0 3 224.735 3.328 20 0 BGADHN CCC1(N[C@@H](C)c2ccncc2Cl)CC1 ZINC000421851131 200852097 /nfs/dbraw/zinc/85/20/97/200852097.db2.gz FJXYQXGJGAWANF-VIFPVBQESA-N 0 3 224.735 3.328 20 0 BGADHN COC1([C@@H](C)N[C@@H]2CCC[C@@H]2F)CCCCC1 ZINC000421852351 192389645 /nfs/dbraw/zinc/38/96/45/192389645.db2.gz HDPBXSNHDGHAQD-FRRDWIJNSA-N 0 3 243.366 3.204 20 0 BGADHN COC1([C@H](C)N[C@@H]2CCC[C@@H]2F)CCCCC1 ZINC000421852352 192390036 /nfs/dbraw/zinc/39/00/36/192390036.db2.gz HDPBXSNHDGHAQD-RWMBFGLXSA-N 0 3 243.366 3.204 20 0 BGADHN COC1([C@@H](C)N[C@H]2CCC[C@H]2F)CCCCC1 ZINC000421852353 192389978 /nfs/dbraw/zinc/38/99/78/192389978.db2.gz HDPBXSNHDGHAQD-UPJWGTAASA-N 0 3 243.366 3.204 20 0 BGADHN COC1([C@H](C)N[C@H]2CCC[C@H]2F)CCCCC1 ZINC000421852354 192389528 /nfs/dbraw/zinc/38/95/28/192389528.db2.gz HDPBXSNHDGHAQD-XQQFMLRXSA-N 0 3 243.366 3.204 20 0 BGADHN COC1([C@@H](C)NCc2occc2C)CCCC1 ZINC000421852873 192389887 /nfs/dbraw/zinc/38/98/87/192389887.db2.gz ICUGOJVLZMEZCM-GFCCVEGCSA-N 0 3 237.343 3.025 20 0 BGADHN COC1([C@H](C)NCc2occc2C)CCCC1 ZINC000421852879 192389480 /nfs/dbraw/zinc/38/94/80/192389480.db2.gz ICUGOJVLZMEZCM-LBPRGKRZSA-N 0 3 237.343 3.025 20 0 BGADHN CC[C@@H]1C[C@H]1CN[C@@H](C)c1ccncc1Cl ZINC000421853491 192389451 /nfs/dbraw/zinc/38/94/51/192389451.db2.gz JMJYLNBTXMJABA-AXFHLTTASA-N 0 3 238.762 3.432 20 0 BGADHN CC[C@@H]1C[C@H]1CN[C@H](C)c1ccncc1Cl ZINC000421853692 192389861 /nfs/dbraw/zinc/38/98/61/192389861.db2.gz JMJYLNBTXMJABA-MXWKQRLJSA-N 0 3 238.762 3.432 20 0 BGADHN C[C@@H](NCCC(C)(F)F)c1ccncc1Cl ZINC000421853995 192389724 /nfs/dbraw/zinc/38/97/24/192389724.db2.gz JYHQKGMHKMEIAZ-MRVPVSSYSA-N 0 3 248.704 3.431 20 0 BGADHN C[C@H](NCCC(C)(F)F)c1ccncc1Cl ZINC000421853996 192389653 /nfs/dbraw/zinc/38/96/53/192389653.db2.gz JYHQKGMHKMEIAZ-QMMMGPOBSA-N 0 3 248.704 3.431 20 0 BGADHN C[C@@H](NCCCCF)c1ccncc1Cl ZINC000421856256 192389961 /nfs/dbraw/zinc/38/99/61/192389961.db2.gz NZFBEQZUSDARRT-SECBINFHSA-N 0 3 230.714 3.135 20 0 BGADHN C[C@H](NCCCCF)c1ccncc1Cl ZINC000421856262 192389967 /nfs/dbraw/zinc/38/99/67/192389967.db2.gz NZFBEQZUSDARRT-VIFPVBQESA-N 0 3 230.714 3.135 20 0 BGADHN C[C@H](N[C@H]1CC[C@@H]1C)c1ccncc1Cl ZINC000421856809 192389535 /nfs/dbraw/zinc/38/95/35/192389535.db2.gz PAEKJTHJVUBSEY-AUTRQRHGSA-N 0 3 224.735 3.184 20 0 BGADHN C[C@H](N[C@@H]1CC[C@@H]1C)c1ccncc1Cl ZINC000421856810 192389380 /nfs/dbraw/zinc/38/93/80/192389380.db2.gz PAEKJTHJVUBSEY-HOTUBEGUSA-N 0 3 224.735 3.184 20 0 BGADHN C[C@H](N[C@H]1CC[C@H]1C)c1ccncc1Cl ZINC000421856811 192389468 /nfs/dbraw/zinc/38/94/68/192389468.db2.gz PAEKJTHJVUBSEY-PTRXPTGYSA-N 0 3 224.735 3.184 20 0 BGADHN C[C@H](N[C@@H]1CC[C@H]1C)c1ccncc1Cl ZINC000421856812 192389304 /nfs/dbraw/zinc/38/93/04/192389304.db2.gz PAEKJTHJVUBSEY-VDDIYKPWSA-N 0 3 224.735 3.184 20 0 BGADHN C[C@@H](F)CCN[C@@H](C)c1ccncc1Cl ZINC000421857956 192390148 /nfs/dbraw/zinc/39/01/48/192390148.db2.gz PWBYSACXOKCMOR-BDAKNGLRSA-N 0 3 230.714 3.134 20 0 BGADHN C[C@@H](NCC[C@H](C)F)c1ccncc1Cl ZINC000421857965 192390169 /nfs/dbraw/zinc/39/01/69/192390169.db2.gz PWBYSACXOKCMOR-DTWKUNHWSA-N 0 3 230.714 3.134 20 0 BGADHN C[C@H](F)CCN[C@@H](C)c1ccncc1Cl ZINC000421857967 192390677 /nfs/dbraw/zinc/39/06/77/192390677.db2.gz PWBYSACXOKCMOR-IUCAKERBSA-N 0 3 230.714 3.134 20 0 BGADHN C[C@@H](F)CCN[C@H](C)c1ccncc1Cl ZINC000421857969 192390390 /nfs/dbraw/zinc/39/03/90/192390390.db2.gz PWBYSACXOKCMOR-RKDXNWHRSA-N 0 3 230.714 3.134 20 0 BGADHN C[C@@H](NC[C@H]1CC12CC2)c1ccncc1Cl ZINC000421859768 533432151 /nfs/dbraw/zinc/43/21/51/533432151.db2.gz SLOCRIKZUBSIIO-NXEZZACHSA-N 0 3 236.746 3.186 20 0 BGADHN C[C@H](NC[C@@H]1CC12CC2)c1ccncc1Cl ZINC000421859777 229154286 /nfs/dbraw/zinc/15/42/86/229154286.db2.gz SLOCRIKZUBSIIO-UWVGGRQHSA-N 0 3 236.746 3.186 20 0 BGADHN C[C@H](NC[C@H]1CC12CC2)c1ccncc1Cl ZINC000421859778 533905871 /nfs/dbraw/zinc/90/58/71/533905871.db2.gz SLOCRIKZUBSIIO-VHSXEESVSA-N 0 3 236.746 3.186 20 0 BGADHN C[C@@H](NC[C@@H]1CC12CC2)c1ccncc1Cl ZINC000421859779 533417233 /nfs/dbraw/zinc/41/72/33/533417233.db2.gz SLOCRIKZUBSIIO-ZJUUUORDSA-N 0 3 236.746 3.186 20 0 BGADHN C[C@H](N[C@H]1CC[C@@H](F)C1)c1ccncc1Cl ZINC000421862402 192396626 /nfs/dbraw/zinc/39/66/26/192396626.db2.gz XDGWFQYPXNJLIP-AEJSXWLSSA-N 0 3 242.725 3.276 20 0 BGADHN C[C@H](N[C@H]1CC[C@H](F)C1)c1ccncc1Cl ZINC000421862403 192395916 /nfs/dbraw/zinc/39/59/16/192395916.db2.gz XDGWFQYPXNJLIP-GUBZILKMSA-N 0 3 242.725 3.276 20 0 BGADHN C[C@H](N[C@@H]1CC[C@@H](F)C1)c1ccncc1Cl ZINC000421862404 192395861 /nfs/dbraw/zinc/39/58/61/192395861.db2.gz XDGWFQYPXNJLIP-IVZWLZJFSA-N 0 3 242.725 3.276 20 0 BGADHN C[C@H](N[C@@H]1CC[C@H](F)C1)c1ccncc1Cl ZINC000421862407 192396423 /nfs/dbraw/zinc/39/64/23/192396423.db2.gz XDGWFQYPXNJLIP-LPEHRKFASA-N 0 3 242.725 3.276 20 0 BGADHN CC[C@@H](O)CN[C@@H](CCC(C)C)c1ccoc1 ZINC000421871996 192398319 /nfs/dbraw/zinc/39/83/19/192398319.db2.gz GKQDIUWUEJPCRW-KGLIPLIRSA-N 0 3 239.359 3.117 20 0 BGADHN CC[C@@H](O)CN[C@H](CCC(C)C)c1ccoc1 ZINC000421871997 192398105 /nfs/dbraw/zinc/39/81/05/192398105.db2.gz GKQDIUWUEJPCRW-ZIAGYGMSSA-N 0 3 239.359 3.117 20 0 BGADHN CC[C@@H](C)CN[C@H](C)c1ccncc1Cl ZINC000421872295 192398164 /nfs/dbraw/zinc/39/81/64/192398164.db2.gz GOUAGRQJVNTFJQ-NXEZZACHSA-N 0 3 226.751 3.432 20 0 BGADHN CC[C@H](C)CN[C@@H](C)c1ccncc1Cl ZINC000421872298 192398413 /nfs/dbraw/zinc/39/84/13/192398413.db2.gz GOUAGRQJVNTFJQ-UWVGGRQHSA-N 0 3 226.751 3.432 20 0 BGADHN CC[C@H](C)CN[C@H](C)c1ccncc1Cl ZINC000421872300 192397887 /nfs/dbraw/zinc/39/78/87/192397887.db2.gz GOUAGRQJVNTFJQ-VHSXEESVSA-N 0 3 226.751 3.432 20 0 BGADHN CC[C@@H](C)CN[C@@H](C)c1ccncc1Cl ZINC000421872303 192398384 /nfs/dbraw/zinc/39/83/84/192398384.db2.gz GOUAGRQJVNTFJQ-ZJUUUORDSA-N 0 3 226.751 3.432 20 0 BGADHN CC[C@@H](C)CN[C@H](C)c1ccc(Cl)cn1 ZINC000421873776 192397918 /nfs/dbraw/zinc/39/79/18/192397918.db2.gz HRQIOAAPPDCJQL-NXEZZACHSA-N 0 3 226.751 3.432 20 0 BGADHN CC[C@H](C)CN[C@@H](C)c1ccc(Cl)cn1 ZINC000421873778 192398075 /nfs/dbraw/zinc/39/80/75/192398075.db2.gz HRQIOAAPPDCJQL-UWVGGRQHSA-N 0 3 226.751 3.432 20 0 BGADHN CC[C@H](C)CN[C@H](C)c1ccc(Cl)cn1 ZINC000421873779 192398084 /nfs/dbraw/zinc/39/80/84/192398084.db2.gz HRQIOAAPPDCJQL-VHSXEESVSA-N 0 3 226.751 3.432 20 0 BGADHN CC[C@@H](C)CN[C@@H](C)c1ccc(Cl)cn1 ZINC000421873781 192397964 /nfs/dbraw/zinc/39/79/64/192397964.db2.gz HRQIOAAPPDCJQL-ZJUUUORDSA-N 0 3 226.751 3.432 20 0 BGADHN CC[C@H](O)CN[C@@H](C)c1cc2ccc(C)cc2o1 ZINC000421881656 192399514 /nfs/dbraw/zinc/39/95/14/192399514.db2.gz RKEIFFDPZQJWQA-AAEUAGOBSA-N 0 3 247.338 3.163 20 0 BGADHN CC[C@@H](O)CN[C@H](C)c1cc2ccc(C)cc2o1 ZINC000421881662 192399238 /nfs/dbraw/zinc/39/92/38/192399238.db2.gz RKEIFFDPZQJWQA-DGCLKSJQSA-N 0 3 247.338 3.163 20 0 BGADHN CC[C@@H](O)CN[C@@H](C)c1cc2ccc(C)cc2o1 ZINC000421881672 192399407 /nfs/dbraw/zinc/39/94/07/192399407.db2.gz RKEIFFDPZQJWQA-WCQYABFASA-N 0 3 247.338 3.163 20 0 BGADHN CC[C@H](O)CN[C@H](C)c1cc2ccc(C)cc2o1 ZINC000421881674 192399377 /nfs/dbraw/zinc/39/93/77/192399377.db2.gz RKEIFFDPZQJWQA-YPMHNXCESA-N 0 3 247.338 3.163 20 0 BGADHN CC[C@@H](C)CNCc1nc(-c2ccccc2)c[nH]1 ZINC000422083163 387555910 /nfs/dbraw/zinc/55/59/10/387555910.db2.gz HKBYZGUONZEZKO-GFCCVEGCSA-N 0 3 243.354 3.212 20 0 BGADHN CC[C@H](C)CNCc1nc(-c2ccccc2)c[nH]1 ZINC000422083166 387555932 /nfs/dbraw/zinc/55/59/32/387555932.db2.gz HKBYZGUONZEZKO-LBPRGKRZSA-N 0 3 243.354 3.212 20 0 BGADHN CC[C@@H](C)[C@H](C)C(=O)Nc1ccccc1CNC ZINC000422731401 387641504 /nfs/dbraw/zinc/64/15/04/387641504.db2.gz GZMFAZNJKCZBLS-NEPJUHHUSA-N 0 3 248.370 3.027 20 0 BGADHN CC[C@H](C)[C@@H](C)C(=O)Nc1ccccc1CNC ZINC000422731402 387640483 /nfs/dbraw/zinc/64/04/83/387640483.db2.gz GZMFAZNJKCZBLS-NWDGAFQWSA-N 0 3 248.370 3.027 20 0 BGADHN CC[C@H](C)[C@H](C)C(=O)Nc1ccccc1CNC ZINC000422731403 387641302 /nfs/dbraw/zinc/64/13/02/387641302.db2.gz GZMFAZNJKCZBLS-RYUDHWBXSA-N 0 3 248.370 3.027 20 0 BGADHN CC[C@@H](C)[C@@H](C)C(=O)Nc1ccccc1CNC ZINC000422731404 387640679 /nfs/dbraw/zinc/64/06/79/387640679.db2.gz GZMFAZNJKCZBLS-VXGBXAGGSA-N 0 3 248.370 3.027 20 0 BGADHN C[C@@H](NCCC1=CCCCC1)c1cnccc1N ZINC000422963802 387813620 /nfs/dbraw/zinc/81/36/20/387813620.db2.gz JOYHXFALYGLEGE-GFCCVEGCSA-N 0 3 245.370 3.035 20 0 BGADHN C[C@H](NCCC1=CCCCC1)c1cnccc1N ZINC000422963803 387813142 /nfs/dbraw/zinc/81/31/42/387813142.db2.gz JOYHXFALYGLEGE-LBPRGKRZSA-N 0 3 245.370 3.035 20 0 BGADHN Cc1cc(N)cc(CN[C@H](C)c2cccs2)c1 ZINC000423467733 387315245 /nfs/dbraw/zinc/31/52/45/387315245.db2.gz BPOQMOOFROLLKQ-LLVKDONJSA-N 0 3 246.379 3.490 20 0 BGADHN Cc1cc(N)cc(CN[C@@H](C)c2cccs2)c1 ZINC000423467743 192784461 /nfs/dbraw/zinc/78/44/61/192784461.db2.gz BPOQMOOFROLLKQ-NSHDSACASA-N 0 3 246.379 3.490 20 0 BGADHN Cc1cc(N)cc(CN[C@H](C)c2ccsc2)c1 ZINC000423474317 387322286 /nfs/dbraw/zinc/32/22/86/387322286.db2.gz HDSXXPKRGPTHIB-LLVKDONJSA-N 0 3 246.379 3.490 20 0 BGADHN Cc1cc(N)cc(CN[C@@H](C)c2ccsc2)c1 ZINC000423474319 387321480 /nfs/dbraw/zinc/32/14/80/387321480.db2.gz HDSXXPKRGPTHIB-NSHDSACASA-N 0 3 246.379 3.490 20 0 BGADHN Cc1cc(N)cc(CN[C@H](C)c2ccccc2)c1 ZINC000423479125 387326455 /nfs/dbraw/zinc/32/64/55/387326455.db2.gz LTKOXDVCWUHVLK-CYBMUJFWSA-N 0 3 240.350 3.428 20 0 BGADHN Cc1cc(N)cc(CN[C@@H](C)c2ccccc2)c1 ZINC000423479147 387327911 /nfs/dbraw/zinc/32/79/11/387327911.db2.gz LTKOXDVCWUHVLK-ZDUSSCGKSA-N 0 3 240.350 3.428 20 0 BGADHN Cc1cc(F)c(CNC[C@H]2C[C@H]2C)c(F)c1 ZINC000424133419 387637318 /nfs/dbraw/zinc/63/73/18/387637318.db2.gz MICZIGMTXLLBHP-NXEZZACHSA-N 0 3 225.282 3.019 20 0 BGADHN Cc1cc(F)c(CNC[C@@H]2C[C@@H]2C)c(F)c1 ZINC000424133422 200865606 /nfs/dbraw/zinc/86/56/06/200865606.db2.gz MICZIGMTXLLBHP-UWVGGRQHSA-N 0 3 225.282 3.019 20 0 BGADHN Cc1cc(F)c(CNC[C@H]2C[C@@H]2C)c(F)c1 ZINC000424133424 387636639 /nfs/dbraw/zinc/63/66/39/387636639.db2.gz MICZIGMTXLLBHP-VHSXEESVSA-N 0 3 225.282 3.019 20 0 BGADHN Cc1cc(F)c(CNC[C@@H]2C[C@H]2C)c(F)c1 ZINC000424133426 387637113 /nfs/dbraw/zinc/63/71/13/387637113.db2.gz MICZIGMTXLLBHP-ZJUUUORDSA-N 0 3 225.282 3.019 20 0 BGADHN Cc1cc(F)c(CN[C@H](C)C2CC2)c(F)c1 ZINC000424134422 200864036 /nfs/dbraw/zinc/86/40/36/200864036.db2.gz NOQXNPUWZJQWGO-SECBINFHSA-N 0 3 225.282 3.161 20 0 BGADHN Cc1cc(F)c(CN[C@@H](C)C2CC2)c(F)c1 ZINC000424134424 387639012 /nfs/dbraw/zinc/63/90/12/387639012.db2.gz NOQXNPUWZJQWGO-VIFPVBQESA-N 0 3 225.282 3.161 20 0 BGADHN Cc1cc(F)c(CNC2CC(C)C2)c(F)c1 ZINC000424138643 387672913 /nfs/dbraw/zinc/67/29/13/387672913.db2.gz DLHOWHNMCLCFQH-UHFFFAOYSA-N 0 3 225.282 3.161 20 0 BGADHN CCCCNCc1c(F)cc(C)cc1F ZINC000424140005 387690546 /nfs/dbraw/zinc/69/05/46/387690546.db2.gz VYHPBVQECWTBOD-UHFFFAOYSA-N 0 3 213.271 3.163 20 0 BGADHN CC[C@@H](C)NCc1c(F)cc(C)cc1F ZINC000424140678 387700047 /nfs/dbraw/zinc/70/00/47/387700047.db2.gz WNEGQGXIOSZLMH-SECBINFHSA-N 0 3 213.271 3.161 20 0 BGADHN CC[C@H](C)NCc1c(F)cc(C)cc1F ZINC000424140681 387700380 /nfs/dbraw/zinc/70/03/80/387700380.db2.gz WNEGQGXIOSZLMH-VIFPVBQESA-N 0 3 213.271 3.161 20 0 BGADHN Cc1cc(F)c(CNC2CCCC2)c(F)c1 ZINC000424142995 387746264 /nfs/dbraw/zinc/74/62/64/387746264.db2.gz YRMYMTNAKLVXQA-UHFFFAOYSA-N 0 3 225.282 3.305 20 0 BGADHN Cc1cc(F)c(CN[C@@H]2CC=CCC2)c(F)c1 ZINC000424148060 387787024 /nfs/dbraw/zinc/78/70/24/387787024.db2.gz SZMKLIQGNJLANT-LLVKDONJSA-N 0 3 237.293 3.472 20 0 BGADHN Cc1cc(F)c(CN[C@H]2CC=CCC2)c(F)c1 ZINC000424148061 387786320 /nfs/dbraw/zinc/78/63/20/387786320.db2.gz SZMKLIQGNJLANT-NSHDSACASA-N 0 3 237.293 3.472 20 0 BGADHN CSCCCNCc1c(F)cc(C)cc1F ZINC000424148499 387786750 /nfs/dbraw/zinc/78/67/50/387786750.db2.gz UNGWVNWAQZGEPZ-UHFFFAOYSA-N 0 3 245.338 3.116 20 0 BGADHN Cc1cc(F)c(CNCCC2CC2)c(F)c1 ZINC000424148696 385095916 /nfs/dbraw/zinc/09/59/16/385095916.db2.gz UVBUTZUIKVLHOZ-UHFFFAOYSA-N 0 3 225.282 3.163 20 0 BGADHN Cc1cc(F)c(CNCC2(C)CC2)c(F)c1 ZINC000424149281 387789982 /nfs/dbraw/zinc/78/99/82/387789982.db2.gz WGACXKORVABHJH-UHFFFAOYSA-N 0 3 225.282 3.163 20 0 BGADHN Cc1cc(F)c(CNCC2CCC2)c(F)c1 ZINC000424154367 387815387 /nfs/dbraw/zinc/81/53/87/387815387.db2.gz LPYJJUICRYBAJA-UHFFFAOYSA-N 0 3 225.282 3.163 20 0 BGADHN CS[C@H](C)CNCc1c(F)cc(C)cc1F ZINC000424161137 387840507 /nfs/dbraw/zinc/84/05/07/387840507.db2.gz RRJNHFFIRCQXIO-SECBINFHSA-N 0 3 245.338 3.114 20 0 BGADHN CS[C@@H](C)CNCc1c(F)cc(C)cc1F ZINC000424161138 387840625 /nfs/dbraw/zinc/84/06/25/387840625.db2.gz RRJNHFFIRCQXIO-VIFPVBQESA-N 0 3 245.338 3.114 20 0 BGADHN Cc1cc(C)nc(NCc2cncn2C(C)C)c1 ZINC000424165415 387852373 /nfs/dbraw/zinc/85/23/73/387852373.db2.gz YNSOTBWFCWXIET-UHFFFAOYSA-N 0 3 244.342 3.088 20 0 BGADHN Clc1ccc(CNC[C@@H]2C[C@H]2C2CCC2)o1 ZINC000424165803 387852610 /nfs/dbraw/zinc/85/26/10/387852610.db2.gz FITBQTVLUGWGAR-JQWIXIFHSA-N 0 3 239.746 3.459 20 0 BGADHN Cc1cc(F)c(CN[C@@H]2CC[C@@H](F)C2)c(F)c1 ZINC000424166882 387854535 /nfs/dbraw/zinc/85/45/35/387854535.db2.gz DAYMCWMJUSXEFR-NXEZZACHSA-N 0 3 243.272 3.253 20 0 BGADHN Cc1cc(F)c(CN[C@H]2CC[C@H](F)C2)c(F)c1 ZINC000424166883 387854577 /nfs/dbraw/zinc/85/45/77/387854577.db2.gz DAYMCWMJUSXEFR-UWVGGRQHSA-N 0 3 243.272 3.253 20 0 BGADHN Cc1cc(F)c(CN[C@@H]2CC[C@H](F)C2)c(F)c1 ZINC000424166885 387853450 /nfs/dbraw/zinc/85/34/50/387853450.db2.gz DAYMCWMJUSXEFR-VHSXEESVSA-N 0 3 243.272 3.253 20 0 BGADHN Cc1cc(F)c(CN[C@H]2CC[C@@H](F)C2)c(F)c1 ZINC000424167283 387856345 /nfs/dbraw/zinc/85/63/45/387856345.db2.gz DAYMCWMJUSXEFR-ZJUUUORDSA-N 0 3 243.272 3.253 20 0 BGADHN Cc1cc(F)c(CNCCCCF)c(F)c1 ZINC000424168679 387859508 /nfs/dbraw/zinc/85/95/08/387859508.db2.gz GIWDFTWVJRKUIH-UHFFFAOYSA-N 0 3 231.261 3.113 20 0 BGADHN Cc1cc(F)c(CNC[C@@H]2CC23CC3)c(F)c1 ZINC000424169519 387864253 /nfs/dbraw/zinc/86/42/53/387864253.db2.gz JSIMEDGEJYJDLB-JTQLQIEISA-N 0 3 237.293 3.163 20 0 BGADHN Cc1cc(F)c(CNC[C@H]2CC23CC3)c(F)c1 ZINC000424169520 387865307 /nfs/dbraw/zinc/86/53/07/387865307.db2.gz JSIMEDGEJYJDLB-SNVBAGLBSA-N 0 3 237.293 3.163 20 0 BGADHN CC(C)n1cncc1CN[C@H]1CCC12CCCC2 ZINC000424171292 387863494 /nfs/dbraw/zinc/86/34/94/387863494.db2.gz CHTFDWSUXLWCNI-AWEZNQCLSA-N 0 3 247.386 3.276 20 0 BGADHN CC(C)n1cncc1CN[C@@H]1CCC12CCCC2 ZINC000424171297 387862609 /nfs/dbraw/zinc/86/26/09/387862609.db2.gz CHTFDWSUXLWCNI-CQSZACIVSA-N 0 3 247.386 3.276 20 0 BGADHN Cc1ccoc1CNC[C@@H]1C[C@H]1C1CCC1 ZINC000424173920 387872496 /nfs/dbraw/zinc/87/24/96/387872496.db2.gz OUDCAEYWWFGLCU-STQMWFEESA-N 0 3 219.328 3.114 20 0 BGADHN [O-]c1cc(F)cc(C[NH2+]C[C@@H]2C[C@H]2C2CCC2)c1 ZINC000424174831 387878501 /nfs/dbraw/zinc/87/85/01/387878501.db2.gz POQJJVAPOKPELF-WFASDCNBSA-N 0 3 249.329 3.057 20 0 BGADHN CC[C@@]1(C(C)C)C[C@H]1NCc1cncn1C(C)C ZINC000424174855 200875363 /nfs/dbraw/zinc/87/53/63/200875363.db2.gz POYKCEFVLOAGOY-CABCVRRESA-N 0 3 249.402 3.378 20 0 BGADHN CC[C@@]1(C(C)C)C[C@@H]1NCc1cncn1C(C)C ZINC000424174857 387879163 /nfs/dbraw/zinc/87/91/63/387879163.db2.gz POYKCEFVLOAGOY-GJZGRUSLSA-N 0 3 249.402 3.378 20 0 BGADHN CC[C@]1(C(C)C)C[C@H]1NCc1cncn1C(C)C ZINC000424174859 387878031 /nfs/dbraw/zinc/87/80/31/387878031.db2.gz POYKCEFVLOAGOY-HUUCEWRRSA-N 0 3 249.402 3.378 20 0 BGADHN CC[C@]1(C(C)C)C[C@@H]1NCc1cncn1C(C)C ZINC000424174860 387878378 /nfs/dbraw/zinc/87/83/78/387878378.db2.gz POYKCEFVLOAGOY-LSDHHAIUSA-N 0 3 249.402 3.378 20 0 BGADHN Cc1ccc(CNC[C@@H]2C[C@H]2C2CCC2)o1 ZINC000424178187 387889373 /nfs/dbraw/zinc/88/93/73/387889373.db2.gz WDHOLLDBAUCRCQ-JSGCOSHPSA-N 0 3 219.328 3.114 20 0 BGADHN CSc1ccc(CN[C@@H]2CC23CC3)s1 ZINC000424181106 385109408 /nfs/dbraw/zinc/10/94/08/385109408.db2.gz AVHHATSGFOTTHK-SECBINFHSA-N 0 3 225.382 3.112 20 0 BGADHN CSc1ccc(CN[C@H]2CC23CC3)s1 ZINC000424181113 385109863 /nfs/dbraw/zinc/10/98/63/385109863.db2.gz AVHHATSGFOTTHK-VIFPVBQESA-N 0 3 225.382 3.112 20 0 BGADHN CCSc1cccc(CN[C@@H]2CC23CC3)c1 ZINC000424181133 385109665 /nfs/dbraw/zinc/10/96/65/385109665.db2.gz BAKGFFYAHXBLKF-CYBMUJFWSA-N 0 3 233.380 3.441 20 0 BGADHN CCSc1cccc(CN[C@H]2CC23CC3)c1 ZINC000424181136 388695053 /nfs/dbraw/zinc/69/50/53/388695053.db2.gz BAKGFFYAHXBLKF-ZDUSSCGKSA-N 0 3 233.380 3.441 20 0 BGADHN c1nc(C2CCC2)sc1CN[C@@H]1CC12CC2 ZINC000424181237 385109225 /nfs/dbraw/zinc/10/92/25/385109225.db2.gz BICRBMNXPUCOJF-LLVKDONJSA-N 0 3 234.368 3.053 20 0 BGADHN c1nc(C2CCC2)sc1CN[C@H]1CC12CC2 ZINC000424181238 200878051 /nfs/dbraw/zinc/87/80/51/200878051.db2.gz BICRBMNXPUCOJF-NSHDSACASA-N 0 3 234.368 3.053 20 0 BGADHN COc1ccc2oc(CN[C@H]3CC34CC4)cc2c1 ZINC000424181251 385109936 /nfs/dbraw/zinc/10/99/36/385109936.db2.gz BMINOTFKTALPGI-AWEZNQCLSA-N 0 3 243.306 3.084 20 0 BGADHN COc1ccc2oc(CN[C@@H]3CC34CC4)cc2c1 ZINC000424181252 385108887 /nfs/dbraw/zinc/10/88/87/385108887.db2.gz BMINOTFKTALPGI-CQSZACIVSA-N 0 3 243.306 3.084 20 0 BGADHN FC(F)(F)c1ccc(CN[C@@H]2CC23CC3)cc1 ZINC000424181576 388694825 /nfs/dbraw/zinc/69/48/25/388694825.db2.gz CLSQAPCNSANGSD-LLVKDONJSA-N 0 3 241.256 3.348 20 0 BGADHN FC(F)(F)c1ccc(CN[C@H]2CC23CC3)cc1 ZINC000424181577 385110139 /nfs/dbraw/zinc/11/01/39/385110139.db2.gz CLSQAPCNSANGSD-NSHDSACASA-N 0 3 241.256 3.348 20 0 BGADHN CCCOc1cccc(CN[C@H]2CC23CC3)c1 ZINC000424181611 385110317 /nfs/dbraw/zinc/11/03/17/385110317.db2.gz CYRSPJKJUPTKOO-AWEZNQCLSA-N 0 3 231.339 3.118 20 0 BGADHN CCCOc1cccc(CN[C@@H]2CC23CC3)c1 ZINC000424181612 385110301 /nfs/dbraw/zinc/11/03/01/385110301.db2.gz CYRSPJKJUPTKOO-CQSZACIVSA-N 0 3 231.339 3.118 20 0 BGADHN CC(C)n1cncc1CNC1CC(C(C)(C)C)C1 ZINC000424181670 387897050 /nfs/dbraw/zinc/89/70/50/387897050.db2.gz RSGSTWBSCGNRKL-UHFFFAOYSA-N 0 3 249.402 3.378 20 0 BGADHN FC(F)(F)c1ccccc1CN[C@@H]1CC12CC2 ZINC000424181748 385108942 /nfs/dbraw/zinc/10/89/42/385108942.db2.gz DHVDNTWRUBNDAT-LLVKDONJSA-N 0 3 241.256 3.348 20 0 BGADHN FC(F)(F)c1ccccc1CN[C@H]1CC12CC2 ZINC000424181750 385110115 /nfs/dbraw/zinc/11/01/15/385110115.db2.gz DHVDNTWRUBNDAT-NSHDSACASA-N 0 3 241.256 3.348 20 0 BGADHN C[C@H](N[C@H]1C[C@]1(F)c1ccccc1)[C@H]1C[C@H]1C ZINC000424181756 387897266 /nfs/dbraw/zinc/89/72/66/387897266.db2.gz DINKXCGCSDJJIM-GCPZOVCVSA-N 0 3 233.330 3.258 20 0 BGADHN C[C@H](N[C@H]1C[C@@]1(F)c1ccccc1)[C@H]1C[C@H]1C ZINC000424181760 387898041 /nfs/dbraw/zinc/89/80/41/387898041.db2.gz DINKXCGCSDJJIM-VJFWYMLFSA-N 0 3 233.330 3.258 20 0 BGADHN C[C@H](N[C@@H]1C[C@]1(F)c1ccccc1)[C@H]1C[C@H]1C ZINC000424181761 387897528 /nfs/dbraw/zinc/89/75/28/387897528.db2.gz DINKXCGCSDJJIM-WKZARQIDSA-N 0 3 233.330 3.258 20 0 BGADHN C[C@H](N[C@@H]1C[C@@]1(F)c1ccccc1)[C@H]1C[C@H]1C ZINC000424181763 387897134 /nfs/dbraw/zinc/89/71/34/387897134.db2.gz DINKXCGCSDJJIM-ZVJHWVFESA-N 0 3 233.330 3.258 20 0 BGADHN CC(C)COc1ccccc1CN[C@H]1CC12CC2 ZINC000424181836 385110216 /nfs/dbraw/zinc/11/02/16/385110216.db2.gz DSTPUXLNOJZSPL-HNNXBMFYSA-N 0 3 245.366 3.364 20 0 BGADHN CC(C)COc1ccccc1CN[C@@H]1CC12CC2 ZINC000424181837 385108864 /nfs/dbraw/zinc/10/88/64/385108864.db2.gz DSTPUXLNOJZSPL-OAHLLOKOSA-N 0 3 245.366 3.364 20 0 BGADHN Cc1cc(F)c(CN[C@@H]2CC[C@H]2C)c(F)c1 ZINC000424182002 387897109 /nfs/dbraw/zinc/89/71/09/387897109.db2.gz SQRQOGITTZWTKL-NOZJJQNGSA-N 0 3 225.282 3.161 20 0 BGADHN Cc1cc(F)c(CN[C@H]2CC[C@H]2C)c(F)c1 ZINC000424182003 387896800 /nfs/dbraw/zinc/89/68/00/387896800.db2.gz SQRQOGITTZWTKL-RNCFNFMXSA-N 0 3 225.282 3.161 20 0 BGADHN Cc1cc(F)c(CN[C@@H]2CC[C@@H]2C)c(F)c1 ZINC000424182004 387897923 /nfs/dbraw/zinc/89/79/23/387897923.db2.gz SQRQOGITTZWTKL-TVQRCGJNSA-N 0 3 225.282 3.161 20 0 BGADHN Cc1cc(F)c(CN[C@H]2CC[C@@H]2C)c(F)c1 ZINC000424182005 387897738 /nfs/dbraw/zinc/89/77/38/387897738.db2.gz SQRQOGITTZWTKL-ZANVPECISA-N 0 3 225.282 3.161 20 0 BGADHN Fc1cc(Cl)cc(CN[C@@H]2CC23CC3)c1 ZINC000424182069 385109962 /nfs/dbraw/zinc/10/99/62/385109962.db2.gz FPJVLZHFZPJDRE-LLVKDONJSA-N 0 3 225.694 3.121 20 0 BGADHN Fc1cc(Cl)cc(CN[C@H]2CC23CC3)c1 ZINC000424182070 385110280 /nfs/dbraw/zinc/11/02/80/385110280.db2.gz FPJVLZHFZPJDRE-NSHDSACASA-N 0 3 225.694 3.121 20 0 BGADHN Cc1cc(Cl)ccc1CN[C@@H]1CC12CC2 ZINC000424182072 385110099 /nfs/dbraw/zinc/11/00/99/385110099.db2.gz FRRFKNQQFNOLNO-GFCCVEGCSA-N 0 3 221.731 3.291 20 0 BGADHN Cc1cc(Cl)ccc1CN[C@H]1CC12CC2 ZINC000424182073 385108901 /nfs/dbraw/zinc/10/89/01/385108901.db2.gz FRRFKNQQFNOLNO-LBPRGKRZSA-N 0 3 221.731 3.291 20 0 BGADHN c1coc(-c2ncc(CN[C@@H]3CC34CC4)s2)c1 ZINC000424182134 385109268 /nfs/dbraw/zinc/10/92/68/385109268.db2.gz GIWUNRGEPAGUBR-LLVKDONJSA-N 0 3 246.335 3.045 20 0 BGADHN c1coc(-c2ncc(CN[C@H]3CC34CC4)s2)c1 ZINC000424182135 385109688 /nfs/dbraw/zinc/10/96/88/385109688.db2.gz GIWUNRGEPAGUBR-NSHDSACASA-N 0 3 246.335 3.045 20 0 BGADHN c1nc(C2CCCC2)sc1CN[C@@H]1CC12CC2 ZINC000424182367 385109167 /nfs/dbraw/zinc/10/91/67/385109167.db2.gz GWMYDHOEAIMERY-GFCCVEGCSA-N 0 3 248.395 3.443 20 0 BGADHN c1nc(C2CCCC2)sc1CN[C@H]1CC12CC2 ZINC000424182370 385109971 /nfs/dbraw/zinc/10/99/71/385109971.db2.gz GWMYDHOEAIMERY-LBPRGKRZSA-N 0 3 248.395 3.443 20 0 BGADHN Cc1ccc(CN[C@@H]2CC23CC3)cc1Cl ZINC000424182732 385112149 /nfs/dbraw/zinc/11/21/49/385112149.db2.gz HJQUDQRZRZJTAV-GFCCVEGCSA-N 0 3 221.731 3.291 20 0 BGADHN Cc1ccc(CN[C@H]2CC23CC3)cc1Cl ZINC000424182733 385111452 /nfs/dbraw/zinc/11/14/52/385111452.db2.gz HJQUDQRZRZJTAV-LBPRGKRZSA-N 0 3 221.731 3.291 20 0 BGADHN Cc1cc(CN[C@@H]2CC23CC3)ccc1Cl ZINC000424182773 385112485 /nfs/dbraw/zinc/11/24/85/385112485.db2.gz HNCMBSHRGPPDHE-GFCCVEGCSA-N 0 3 221.731 3.291 20 0 BGADHN Cc1cc(CN[C@H]2CC23CC3)ccc1Cl ZINC000424182775 200878071 /nfs/dbraw/zinc/87/80/71/200878071.db2.gz HNCMBSHRGPPDHE-LBPRGKRZSA-N 0 3 221.731 3.291 20 0 BGADHN Cc1cc(F)c(CNCC[C@@H](C)F)c(F)c1 ZINC000424182920 387897807 /nfs/dbraw/zinc/89/78/07/387897807.db2.gz UQAXAGOLSMLGQH-SECBINFHSA-N 0 3 231.261 3.111 20 0 BGADHN Cc1cc(F)c(CNCC[C@H](C)F)c(F)c1 ZINC000424182921 200879279 /nfs/dbraw/zinc/87/92/79/200879279.db2.gz UQAXAGOLSMLGQH-VIFPVBQESA-N 0 3 231.261 3.111 20 0 BGADHN Fc1c(Cl)cccc1CN[C@H]1CC12CC2 ZINC000424184208 385113564 /nfs/dbraw/zinc/11/35/64/385113564.db2.gz LPTGOAFNCDWZNI-JTQLQIEISA-N 0 3 225.694 3.121 20 0 BGADHN Fc1c(Cl)cccc1CN[C@@H]1CC12CC2 ZINC000424184211 385111976 /nfs/dbraw/zinc/11/19/76/385111976.db2.gz LPTGOAFNCDWZNI-SNVBAGLBSA-N 0 3 225.694 3.121 20 0 BGADHN CC(C)Oc1ccccc1CN[C@H]1CC12CC2 ZINC000424184424 385112428 /nfs/dbraw/zinc/11/24/28/385112428.db2.gz MARHGBKIAIEJLB-AWEZNQCLSA-N 0 3 231.339 3.116 20 0 BGADHN CC(C)Oc1ccccc1CN[C@@H]1CC12CC2 ZINC000424184425 385111857 /nfs/dbraw/zinc/11/18/57/385111857.db2.gz MARHGBKIAIEJLB-CQSZACIVSA-N 0 3 231.339 3.116 20 0 BGADHN CCc1cccc(F)c1CN[C@@H]1CC12CC2 ZINC000424184437 385111674 /nfs/dbraw/zinc/11/16/74/385111674.db2.gz MDNFSOGWUNHISU-CYBMUJFWSA-N 0 3 219.303 3.030 20 0 BGADHN CCc1cccc(F)c1CN[C@H]1CC12CC2 ZINC000424184439 385112473 /nfs/dbraw/zinc/11/24/73/385112473.db2.gz MDNFSOGWUNHISU-ZDUSSCGKSA-N 0 3 219.303 3.030 20 0 BGADHN CC(C)(C)c1ncc(CN[C@H]2CC23CC3)s1 ZINC000424184446 385112410 /nfs/dbraw/zinc/11/24/10/385112410.db2.gz MEODCVNIHNHDLB-JTQLQIEISA-N 0 3 236.384 3.083 20 0 BGADHN CC(C)(C)c1ncc(CN[C@@H]2CC23CC3)s1 ZINC000424184448 385112276 /nfs/dbraw/zinc/11/22/76/385112276.db2.gz MEODCVNIHNHDLB-SNVBAGLBSA-N 0 3 236.384 3.083 20 0 BGADHN Cc1cc(Cl)cc(CN[C@@H]2CC23CC3)c1 ZINC000424184586 385113063 /nfs/dbraw/zinc/11/30/63/385113063.db2.gz MYFNLDJRMMJJIK-GFCCVEGCSA-N 0 3 221.731 3.291 20 0 BGADHN Cc1cc(Cl)cc(CN[C@H]2CC23CC3)c1 ZINC000424184587 385111713 /nfs/dbraw/zinc/11/17/13/385111713.db2.gz MYFNLDJRMMJJIK-LBPRGKRZSA-N 0 3 221.731 3.291 20 0 BGADHN CC(C)COc1cccc(CN[C@H]2CC23CC3)c1 ZINC000424184588 385112972 /nfs/dbraw/zinc/11/29/72/385112972.db2.gz NAFFRGAPDDLHMR-HNNXBMFYSA-N 0 3 245.366 3.364 20 0 BGADHN CC(C)COc1cccc(CN[C@@H]2CC23CC3)c1 ZINC000424184589 385112588 /nfs/dbraw/zinc/11/25/88/385112588.db2.gz NAFFRGAPDDLHMR-OAHLLOKOSA-N 0 3 245.366 3.364 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CN[C@H]2CC23CC3)o1 ZINC000424184847 385113538 /nfs/dbraw/zinc/11/35/38/385113538.db2.gz NOFNJDKXBJVCPJ-CDMKHQONSA-N 0 3 217.312 3.045 20 0 BGADHN C[C@@H]1C[C@H]1c1ccc(CN[C@@H]2CC23CC3)o1 ZINC000424184848 385112063 /nfs/dbraw/zinc/11/20/63/385112063.db2.gz NOFNJDKXBJVCPJ-IRUJWGPZSA-N 0 3 217.312 3.045 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CN[C@@H]2CC23CC3)o1 ZINC000424184849 385112165 /nfs/dbraw/zinc/11/21/65/385112165.db2.gz NOFNJDKXBJVCPJ-SUZMYJTESA-N 0 3 217.312 3.045 20 0 BGADHN C[C@@H]1C[C@H]1c1ccc(CN[C@H]2CC23CC3)o1 ZINC000424184850 385112313 /nfs/dbraw/zinc/11/23/13/385112313.db2.gz NOFNJDKXBJVCPJ-XWIASGKRSA-N 0 3 217.312 3.045 20 0 BGADHN CC(C)Oc1cccc(CN[C@H]2CC23CC3)c1 ZINC000424184861 385112767 /nfs/dbraw/zinc/11/27/67/385112767.db2.gz NSMDHNWWFUFEFH-AWEZNQCLSA-N 0 3 231.339 3.116 20 0 BGADHN CC(C)Oc1cccc(CN[C@@H]2CC23CC3)c1 ZINC000424184862 384779815 /nfs/dbraw/zinc/77/98/15/384779815.db2.gz NSMDHNWWFUFEFH-CQSZACIVSA-N 0 3 231.339 3.116 20 0 BGADHN Cc1oc2ccccc2c1CN[C@H]1CC12CC2 ZINC000424184926 385112553 /nfs/dbraw/zinc/11/25/53/385112553.db2.gz OFHSMNZTHXNDGG-AWEZNQCLSA-N 0 3 227.307 3.383 20 0 BGADHN Cc1oc2ccccc2c1CN[C@@H]1CC12CC2 ZINC000424184929 385111247 /nfs/dbraw/zinc/11/12/47/385111247.db2.gz OFHSMNZTHXNDGG-CQSZACIVSA-N 0 3 227.307 3.383 20 0 BGADHN CC(C)CCn1cccc1CN[C@H]1CC12CC2 ZINC000424184963 385112100 /nfs/dbraw/zinc/11/21/00/385112100.db2.gz OIIZRLGIKNCUOT-AWEZNQCLSA-N 0 3 232.371 3.176 20 0 BGADHN CC(C)CCn1cccc1CN[C@@H]1CC12CC2 ZINC000424184966 385111589 /nfs/dbraw/zinc/11/15/89/385111589.db2.gz OIIZRLGIKNCUOT-CQSZACIVSA-N 0 3 232.371 3.176 20 0 BGADHN Fc1cc(Cl)ccc1CN[C@@H]1CC12CC2 ZINC000424185286 385115144 /nfs/dbraw/zinc/11/51/44/385115144.db2.gz PBTWSADKKNDLGM-LLVKDONJSA-N 0 3 225.694 3.121 20 0 BGADHN Fc1cc(Cl)ccc1CN[C@H]1CC12CC2 ZINC000424185287 385114910 /nfs/dbraw/zinc/11/49/10/385114910.db2.gz PBTWSADKKNDLGM-NSHDSACASA-N 0 3 225.694 3.121 20 0 BGADHN COc1cc(CN[C@@H]2CC23CC3)ccc1SC ZINC000424185922 385102259 /nfs/dbraw/zinc/10/22/59/385102259.db2.gz RHJCMMHXVUBQDP-CYBMUJFWSA-N 0 3 249.379 3.059 20 0 BGADHN COc1cc(CN[C@H]2CC23CC3)ccc1SC ZINC000424185923 385101504 /nfs/dbraw/zinc/10/15/04/385101504.db2.gz RHJCMMHXVUBQDP-ZDUSSCGKSA-N 0 3 249.379 3.059 20 0 BGADHN c1ccc(OCC2CC2)c(CN[C@H]2CC23CC3)c1 ZINC000424186316 385100930 /nfs/dbraw/zinc/10/09/30/385100930.db2.gz RUYVHSZCEMYCDF-HNNXBMFYSA-N 0 3 243.350 3.118 20 0 BGADHN c1ccc(OCC2CC2)c(CN[C@@H]2CC23CC3)c1 ZINC000424186317 385100538 /nfs/dbraw/zinc/10/05/38/385100538.db2.gz RUYVHSZCEMYCDF-OAHLLOKOSA-N 0 3 243.350 3.118 20 0 BGADHN CC(C)Oc1ccc(CN[C@H]2CC23CC3)cc1 ZINC000424186345 385101096 /nfs/dbraw/zinc/10/10/96/385101096.db2.gz RXTHHNSSMJUPRB-AWEZNQCLSA-N 0 3 231.339 3.116 20 0 BGADHN CC(C)Oc1ccc(CN[C@@H]2CC23CC3)cc1 ZINC000424186346 385100856 /nfs/dbraw/zinc/10/08/56/385100856.db2.gz RXTHHNSSMJUPRB-CQSZACIVSA-N 0 3 231.339 3.116 20 0 BGADHN CSc1ccc(CN[C@@H]2CC23CC3)cc1 ZINC000424186685 385104876 /nfs/dbraw/zinc/10/48/76/385104876.db2.gz SUFHLMJINSLCNO-GFCCVEGCSA-N 0 3 219.353 3.051 20 0 BGADHN CSc1ccc(CN[C@H]2CC23CC3)cc1 ZINC000424186686 385105416 /nfs/dbraw/zinc/10/54/16/385105416.db2.gz SUFHLMJINSLCNO-LBPRGKRZSA-N 0 3 219.353 3.051 20 0 BGADHN Fc1cc(CN[C@@H]2CC23CC3)ccc1Cl ZINC000424186687 385104496 /nfs/dbraw/zinc/10/44/96/385104496.db2.gz SUMUNERDISWWBE-LLVKDONJSA-N 0 3 225.694 3.121 20 0 BGADHN Fc1cc(CN[C@H]2CC23CC3)ccc1Cl ZINC000424186688 385105577 /nfs/dbraw/zinc/10/55/77/385105577.db2.gz SUMUNERDISWWBE-NSHDSACASA-N 0 3 225.694 3.121 20 0 BGADHN Fc1ccc(CN[C@@H]2CC23CC3)cc1Cl ZINC000424186729 385104260 /nfs/dbraw/zinc/10/42/60/385104260.db2.gz TYOKGQQGQQTJNG-LLVKDONJSA-N 0 3 225.694 3.121 20 0 BGADHN Fc1ccc(CN[C@H]2CC23CC3)cc1Cl ZINC000424186730 385103553 /nfs/dbraw/zinc/10/35/53/385103553.db2.gz TYOKGQQGQQTJNG-NSHDSACASA-N 0 3 225.694 3.121 20 0 BGADHN c1cc(OCC2CC2)ccc1CN[C@H]1CC12CC2 ZINC000424186968 385103255 /nfs/dbraw/zinc/10/32/55/385103255.db2.gz UDNGASHMNXMEII-HNNXBMFYSA-N 0 3 243.350 3.118 20 0 BGADHN c1cc(OCC2CC2)ccc1CN[C@@H]1CC12CC2 ZINC000424186969 385103607 /nfs/dbraw/zinc/10/36/07/385103607.db2.gz UDNGASHMNXMEII-OAHLLOKOSA-N 0 3 243.350 3.118 20 0 BGADHN FC(F)(F)c1ccc(CN[C@@H]2CC23CC3)s1 ZINC000424187023 385104914 /nfs/dbraw/zinc/10/49/14/385104914.db2.gz ULBCEPSDCKYGLS-MRVPVSSYSA-N 0 3 247.285 3.409 20 0 BGADHN FC(F)(F)c1ccc(CN[C@H]2CC23CC3)s1 ZINC000424187025 385103069 /nfs/dbraw/zinc/10/30/69/385103069.db2.gz ULBCEPSDCKYGLS-QMMMGPOBSA-N 0 3 247.285 3.409 20 0 BGADHN CC1(C)Cc2cccc(CN[C@@H]3CC34CC4)c2O1 ZINC000424187388 385103320 /nfs/dbraw/zinc/10/33/20/385103320.db2.gz VQSWEJYYDLATBG-CYBMUJFWSA-N 0 3 243.350 3.042 20 0 BGADHN CC1(C)Cc2cccc(CN[C@H]3CC34CC4)c2O1 ZINC000424187390 385104537 /nfs/dbraw/zinc/10/45/37/385104537.db2.gz VQSWEJYYDLATBG-ZDUSSCGKSA-N 0 3 243.350 3.042 20 0 BGADHN Fc1ccc(Cl)cc1CN[C@@H]1CC12CC2 ZINC000424187722 384782530 /nfs/dbraw/zinc/78/25/30/384782530.db2.gz WGPPLXZDPBHNSV-LLVKDONJSA-N 0 3 225.694 3.121 20 0 BGADHN Fc1ccc(Cl)cc1CN[C@H]1CC12CC2 ZINC000424187724 385104408 /nfs/dbraw/zinc/10/44/08/385104408.db2.gz WGPPLXZDPBHNSV-NSHDSACASA-N 0 3 225.694 3.121 20 0 BGADHN FC(F)(F)c1cccc(CN[C@@H]2CC23CC3)c1 ZINC000424187735 385104899 /nfs/dbraw/zinc/10/48/99/385104899.db2.gz WIXRQVKSOLSWMQ-LLVKDONJSA-N 0 3 241.256 3.348 20 0 BGADHN FC(F)(F)c1cccc(CN[C@H]2CC23CC3)c1 ZINC000424187736 385105144 /nfs/dbraw/zinc/10/51/44/385105144.db2.gz WIXRQVKSOLSWMQ-NSHDSACASA-N 0 3 241.256 3.348 20 0 BGADHN Fc1ccc(CN[C@@H]2CC23CC3)c(Cl)c1 ZINC000424188164 385107761 /nfs/dbraw/zinc/10/77/61/385107761.db2.gz XERBIDGLMDHLOV-LLVKDONJSA-N 0 3 225.694 3.121 20 0 BGADHN Fc1ccc(CN[C@H]2CC23CC3)c(Cl)c1 ZINC000424188165 385107342 /nfs/dbraw/zinc/10/73/42/385107342.db2.gz XERBIDGLMDHLOV-NSHDSACASA-N 0 3 225.694 3.121 20 0 BGADHN c1c2cccnc2oc1CN[C@@H]1C[C@H]1C1CCC1 ZINC000424188212 387909022 /nfs/dbraw/zinc/90/90/22/387909022.db2.gz BQZUBLDXVYKESF-UONOGXRCSA-N 0 3 242.322 3.106 20 0 BGADHN CC(C)(C)CN[C@H]1C[C@@]1(F)c1ccccc1 ZINC000424188292 387908199 /nfs/dbraw/zinc/90/81/99/387908199.db2.gz BUXPUZXJQIHBRO-GXTWGEPZSA-N 0 3 221.319 3.259 20 0 BGADHN CC(C)(C)CN[C@H]1C[C@]1(F)c1ccccc1 ZINC000424188306 200881906 /nfs/dbraw/zinc/88/19/06/200881906.db2.gz BUXPUZXJQIHBRO-JSGCOSHPSA-N 0 3 221.319 3.259 20 0 BGADHN CC(C)(C)CN[C@@H]1C[C@]1(F)c1ccccc1 ZINC000424188308 387908569 /nfs/dbraw/zinc/90/85/69/387908569.db2.gz BUXPUZXJQIHBRO-OCCSQVGLSA-N 0 3 221.319 3.259 20 0 BGADHN CC(C)(C)CN[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000424188310 387908747 /nfs/dbraw/zinc/90/87/47/387908747.db2.gz BUXPUZXJQIHBRO-TZMCWYRMSA-N 0 3 221.319 3.259 20 0 BGADHN COc1cc(F)cc(CN[C@@H]2C[C@H]2C2CCC2)c1 ZINC000424188419 387909453 /nfs/dbraw/zinc/90/94/53/387909453.db2.gz CBDXIRONSSUGEU-LSDHHAIUSA-N 0 3 249.329 3.113 20 0 BGADHN FC(F)(F)c1cscc1CN[C@@H]1CC12CC2 ZINC000424188680 385119950 /nfs/dbraw/zinc/11/99/50/385119950.db2.gz YNRJAOJGPAXIPJ-SECBINFHSA-N 0 3 247.285 3.409 20 0 BGADHN FC(F)(F)c1cscc1CN[C@H]1CC12CC2 ZINC000424188681 200881877 /nfs/dbraw/zinc/88/18/77/200881877.db2.gz YNRJAOJGPAXIPJ-VIFPVBQESA-N 0 3 247.285 3.409 20 0 BGADHN CC(C)COc1ccc(CN[C@H]2CC23CC3)cc1 ZINC000424189003 385119542 /nfs/dbraw/zinc/11/95/42/385119542.db2.gz ZEXYKYUBDGRATF-HNNXBMFYSA-N 0 3 245.366 3.364 20 0 BGADHN CC(C)COc1ccc(CN[C@@H]2CC23CC3)cc1 ZINC000424189005 385117858 /nfs/dbraw/zinc/11/78/58/385117858.db2.gz ZEXYKYUBDGRATF-OAHLLOKOSA-N 0 3 245.366 3.364 20 0 BGADHN F[C@]1(c2ccccc2)C[C@@H]1NC1CCCC1 ZINC000424189296 387911288 /nfs/dbraw/zinc/91/12/88/387911288.db2.gz DFBYBTFFAYNIAK-KBPBESRZSA-N 0 3 219.303 3.156 20 0 BGADHN F[C@]1(c2ccccc2)C[C@H]1NC1CCCC1 ZINC000424189299 387911383 /nfs/dbraw/zinc/91/13/83/387911383.db2.gz DFBYBTFFAYNIAK-KGLIPLIRSA-N 0 3 219.303 3.156 20 0 BGADHN F[C@@]1(c2ccccc2)C[C@@H]1NC1CCCC1 ZINC000424189302 387911653 /nfs/dbraw/zinc/91/16/53/387911653.db2.gz DFBYBTFFAYNIAK-UONOGXRCSA-N 0 3 219.303 3.156 20 0 BGADHN F[C@@]1(c2ccccc2)C[C@H]1NC1CCCC1 ZINC000424189305 387911520 /nfs/dbraw/zinc/91/15/20/387911520.db2.gz DFBYBTFFAYNIAK-ZIAGYGMSSA-N 0 3 219.303 3.156 20 0 BGADHN Clc1ccc(CN[C@@H]2C[C@H]2C2CCC2)o1 ZINC000424189438 387910132 /nfs/dbraw/zinc/91/01/32/387910132.db2.gz DOMNJWXPQSGJEU-WDEREUQCSA-N 0 3 225.719 3.211 20 0 BGADHN COc1ccc(F)cc1CN[C@@H]1C[C@H]1C1CCC1 ZINC000424190304 387913297 /nfs/dbraw/zinc/91/32/97/387913297.db2.gz FUYFPFDGPYSVKK-UONOGXRCSA-N 0 3 249.329 3.113 20 0 BGADHN CCOc1ccccc1CN[C@@H]1C[C@H]1C1CCC1 ZINC000424190766 411245526 /nfs/dbraw/zinc/24/55/26/411245526.db2.gz GLNDHGMADDNRQK-LSDHHAIUSA-N 0 3 245.366 3.364 20 0 BGADHN COc1ccc(CN[C@@H]2C[C@H]2C2CCC2)cc1F ZINC000424190957 387914718 /nfs/dbraw/zinc/91/47/18/387914718.db2.gz GVZZNPWROLHVME-GXTWGEPZSA-N 0 3 249.329 3.113 20 0 BGADHN Fc1cc(F)cc(CN[C@@H]2C[C@H]2C2CCC2)c1 ZINC000424190976 387916226 /nfs/dbraw/zinc/91/62/26/387916226.db2.gz GWWHXFNAEHYQKH-UONOGXRCSA-N 0 3 237.293 3.243 20 0 BGADHN Fc1ccc(F)c(CN[C@@H]2C[C@H]2C2CCC2)c1 ZINC000424191420 534477405 /nfs/dbraw/zinc/47/74/05/534477405.db2.gz HKAYBEIUZNKHQV-GXTWGEPZSA-N 0 3 237.293 3.243 20 0 BGADHN Fc1ccc(CN[C@@H]2C[C@H]2C2CCC2)cc1F ZINC000424191735 534469414 /nfs/dbraw/zinc/46/94/14/534469414.db2.gz HXCKSBGVFPZFBX-SMDDNHRTSA-N 0 3 237.293 3.243 20 0 BGADHN Fc1ccccc1CN[C@@H]1C[C@H]1C1CCC1 ZINC000424192139 229159485 /nfs/dbraw/zinc/15/94/85/229159485.db2.gz IPDWBERZNUAHEZ-GXTWGEPZSA-N 0 3 219.303 3.104 20 0 BGADHN C[C@H](N[C@H]1C[C@]1(F)c1ccccc1)C1CC1 ZINC000424192622 206034457 /nfs/dbraw/zinc/03/44/57/206034457.db2.gz JKMKIGFIJRECGG-BPNCWPANSA-N 0 3 219.303 3.012 20 0 BGADHN C[C@H](N[C@@H]1C[C@]1(F)c1ccccc1)C1CC1 ZINC000424192624 206034618 /nfs/dbraw/zinc/03/46/18/206034618.db2.gz JKMKIGFIJRECGG-GDLCADMTSA-N 0 3 219.303 3.012 20 0 BGADHN C[C@H](N[C@H]1C[C@@]1(F)c1ccccc1)C1CC1 ZINC000424192626 206034258 /nfs/dbraw/zinc/03/42/58/206034258.db2.gz JKMKIGFIJRECGG-LEWSCRJBSA-N 0 3 219.303 3.012 20 0 BGADHN C[C@H](N[C@@H]1C[C@@]1(F)c1ccccc1)C1CC1 ZINC000424192628 206036030 /nfs/dbraw/zinc/03/60/30/206036030.db2.gz JKMKIGFIJRECGG-ZLKJLUDKSA-N 0 3 219.303 3.012 20 0 BGADHN COc1ccc(C)cc1CN[C@@H]1C[C@H]1C1CCC1 ZINC000424194433 387918234 /nfs/dbraw/zinc/91/82/34/387918234.db2.gz LOKXWIMIYOYBRS-LSDHHAIUSA-N 0 3 245.366 3.282 20 0 BGADHN CCc1ccc(CN[C@@H]2C[C@H]2C2CCC2)o1 ZINC000424197302 387922286 /nfs/dbraw/zinc/92/22/86/387922286.db2.gz OADSRGTVLNBZNM-UONOGXRCSA-N 0 3 219.328 3.120 20 0 BGADHN COc1ccc(F)c(CN[C@@H]2C[C@H]2C2CCC2)c1 ZINC000424198331 387924916 /nfs/dbraw/zinc/92/49/16/387924916.db2.gz PANWJHRETGIGRG-DZGCQCFKSA-N 0 3 249.329 3.113 20 0 BGADHN CCc1nocc1CN[C@@H]1CCC[C@H](C2CC2)C1 ZINC000424199086 387927148 /nfs/dbraw/zinc/92/71/48/387927148.db2.gz DXUHFNXDPAADCA-GXTWGEPZSA-N 0 3 248.370 3.295 20 0 BGADHN C[C@@H]1CC[C@H](N[C@@H]2C[C@]2(F)c2ccccc2)C1 ZINC000424199824 387928286 /nfs/dbraw/zinc/92/82/86/387928286.db2.gz QJLINENWVTYIBT-BEAPCOKYSA-N 0 3 233.330 3.402 20 0 BGADHN C[C@@H]1CC[C@H](N[C@@H]2C[C@@]2(F)c2ccccc2)C1 ZINC000424199825 387929004 /nfs/dbraw/zinc/92/90/04/387929004.db2.gz QJLINENWVTYIBT-FAAHXZRKSA-N 0 3 233.330 3.402 20 0 BGADHN C[C@@H]1CC[C@H](N[C@H]2C[C@]2(F)c2ccccc2)C1 ZINC000424199826 387928970 /nfs/dbraw/zinc/92/89/70/387928970.db2.gz QJLINENWVTYIBT-UNQGMJICSA-N 0 3 233.330 3.402 20 0 BGADHN C[C@@H]1CC[C@H](N[C@H]2C[C@@]2(F)c2ccccc2)C1 ZINC000424199827 387928505 /nfs/dbraw/zinc/92/85/05/387928505.db2.gz QJLINENWVTYIBT-UQOMUDLDSA-N 0 3 233.330 3.402 20 0 BGADHN Fc1cnccc1CN[C@@H]1CCC[C@H](C2CC2)C1 ZINC000424199966 385118338 /nfs/dbraw/zinc/11/83/38/385118338.db2.gz FQNLKIXODARPFR-GXTWGEPZSA-N 0 3 248.345 3.279 20 0 BGADHN C[C@@H](N[C@@H]1C[C@H]1C1CCC1)c1cncc(F)c1 ZINC000424200090 387928657 /nfs/dbraw/zinc/92/86/57/387928657.db2.gz RAIZXWHAQAIOOX-BIGNPOOSSA-N 0 3 234.318 3.060 20 0 BGADHN C[C@H](N[C@@H]1C[C@H]1C1CCC1)c1cncc(F)c1 ZINC000424200110 387928815 /nfs/dbraw/zinc/92/88/15/387928815.db2.gz RAIZXWHAQAIOOX-QCZZGDTMSA-N 0 3 234.318 3.060 20 0 BGADHN C[C@@H]1CCC[C@@H]1N[C@@H]1C[C@]1(F)c1ccccc1 ZINC000424200752 206034187 /nfs/dbraw/zinc/03/41/87/206034187.db2.gz RHEUVVBBALUFJY-BEAPCOKYSA-N 0 3 233.330 3.402 20 0 BGADHN C[C@@H]1CCC[C@@H]1N[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000424200754 206035918 /nfs/dbraw/zinc/03/59/18/206035918.db2.gz RHEUVVBBALUFJY-FAAHXZRKSA-N 0 3 233.330 3.402 20 0 BGADHN C[C@@H]1CCC[C@@H]1N[C@H]1C[C@]1(F)c1ccccc1 ZINC000424200756 206035005 /nfs/dbraw/zinc/03/50/05/206035005.db2.gz RHEUVVBBALUFJY-UNQGMJICSA-N 0 3 233.330 3.402 20 0 BGADHN C[C@@H]1CCC[C@@H]1N[C@H]1C[C@@]1(F)c1ccccc1 ZINC000424200758 206035252 /nfs/dbraw/zinc/03/52/52/206035252.db2.gz RHEUVVBBALUFJY-UQOMUDLDSA-N 0 3 233.330 3.402 20 0 BGADHN COc1cc(C)ccc1CN[C@@H]1C[C@H]1C1CCC1 ZINC000424200807 206034728 /nfs/dbraw/zinc/03/47/28/206034728.db2.gz RIXFQGJUPKICEA-LSDHHAIUSA-N 0 3 245.366 3.282 20 0 BGADHN Cc1nn(C(C)C)cc1CN[C@@H]1C[C@H]1C1CCC1 ZINC000424202805 387929082 /nfs/dbraw/zinc/92/90/82/387929082.db2.gz TUFSUAWJTRENIK-LSDHHAIUSA-N 0 3 247.386 3.051 20 0 BGADHN COc1ccsc1CN[C@@H]1C[C@H]1C1CCC1 ZINC000424204252 398174336 /nfs/dbraw/zinc/17/43/36/398174336.db2.gz VCODALSWANQCQX-WDEREUQCSA-N 0 3 237.368 3.035 20 0 BGADHN Cc1nc(C)c(CN[C@@H]2C[C@H]2C2CCC2)s1 ZINC000424204278 398174969 /nfs/dbraw/zinc/17/49/69/398174969.db2.gz VHGGUADIDIHHGY-NWDGAFQWSA-N 0 3 236.384 3.038 20 0 BGADHN c1nc(C2CC2)c(CN[C@@H]2C[C@H]2C2CCC2)s1 ZINC000424207144 385125396 /nfs/dbraw/zinc/12/53/96/385125396.db2.gz XIFAZASVNXQBOQ-NWDGAFQWSA-N 0 3 248.395 3.299 20 0 BGADHN CC[C@H](C)CN[C@H]1C[C@@]1(F)c1ccccc1 ZINC000424208651 200889259 /nfs/dbraw/zinc/88/92/59/200889259.db2.gz YMVFIGIMJBWNJO-FPMFFAJLSA-N 0 3 221.319 3.259 20 0 BGADHN CC[C@H](C)CN[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000424208652 387929847 /nfs/dbraw/zinc/92/98/47/387929847.db2.gz YMVFIGIMJBWNJO-IACUBPJLSA-N 0 3 221.319 3.259 20 0 BGADHN CC[C@H](C)CN[C@H]1C[C@]1(F)c1ccccc1 ZINC000424208653 200888894 /nfs/dbraw/zinc/88/88/94/200888894.db2.gz YMVFIGIMJBWNJO-UBHSHLNASA-N 0 3 221.319 3.259 20 0 BGADHN CC[C@H](C)CN[C@@H]1C[C@]1(F)c1ccccc1 ZINC000424208654 387930359 /nfs/dbraw/zinc/93/03/59/387930359.db2.gz YMVFIGIMJBWNJO-YUTCNCBUSA-N 0 3 221.319 3.259 20 0 BGADHN CC(C)c1cnc(CN[C@@H]2C[C@H]3C[C@H]3C2)s1 ZINC000424210080 387930092 /nfs/dbraw/zinc/93/00/92/387930092.db2.gz VIFIYUSPKTWVCV-JGPRNRPPSA-N 0 3 236.384 3.155 20 0 BGADHN Cc1cc(F)c(CN[C@@H]2C[C@H]3C[C@H]3C2)c(F)c1 ZINC000424210705 490225713 /nfs/dbraw/zinc/22/57/13/490225713.db2.gz WJFQKMBCYQULSQ-JGPRNRPPSA-N 0 3 237.293 3.161 20 0 BGADHN CCC(C)(C)CC(=O)Nc1cc(C)cc(CN)c1 ZINC000424233261 387942406 /nfs/dbraw/zinc/94/24/06/387942406.db2.gz FPARHJWUORHADL-UHFFFAOYSA-N 0 3 248.370 3.219 20 0 BGADHN COc1ccc([C@@H](C)NC2CC2)c(Cl)c1 ZINC000424252296 387943715 /nfs/dbraw/zinc/94/37/15/387943715.db2.gz DAFNTLCJECHODP-MRVPVSSYSA-N 0 3 225.719 3.162 20 0 BGADHN COc1ccc([C@H](C)NC2CC2)c(Cl)c1 ZINC000424252297 387945199 /nfs/dbraw/zinc/94/51/99/387945199.db2.gz DAFNTLCJECHODP-QMMMGPOBSA-N 0 3 225.719 3.162 20 0 BGADHN COc1ccc([C@@H](C)NCC2CC2)c(Cl)c1 ZINC000424264713 200896091 /nfs/dbraw/zinc/89/60/91/200896091.db2.gz IPVLPKXSLDNMIF-SECBINFHSA-N 0 3 239.746 3.409 20 0 BGADHN COc1ccc([C@H](C)NCC2CC2)c(Cl)c1 ZINC000424264715 387946976 /nfs/dbraw/zinc/94/69/76/387946976.db2.gz IPVLPKXSLDNMIF-VIFPVBQESA-N 0 3 239.746 3.409 20 0 BGADHN C[C@H](NC[C@@H]1C[C@H]1C1CCC1)c1ccc(F)cn1 ZINC000424282951 387950727 /nfs/dbraw/zinc/95/07/27/387950727.db2.gz ADELOBVTDLWSGO-JKOKRWQUSA-N 0 3 248.345 3.308 20 0 BGADHN C[C@@H](NC[C@@H]1C[C@H]1C1CCC1)c1ccc(F)cn1 ZINC000424282952 387952418 /nfs/dbraw/zinc/95/24/18/387952418.db2.gz ADELOBVTDLWSGO-OSMZGAPFSA-N 0 3 248.345 3.308 20 0 BGADHN Cc1cc([C@H](C)NC[C@@H]2C[C@H]2C2CCC2)no1 ZINC000424284093 200896590 /nfs/dbraw/zinc/89/65/90/200896590.db2.gz BYFVDRAFHQIJIZ-DRZSPHRISA-N 0 3 234.343 3.070 20 0 BGADHN Cc1cc([C@@H](C)NC[C@@H]2C[C@H]2C2CCC2)no1 ZINC000424284094 387953355 /nfs/dbraw/zinc/95/33/55/387953355.db2.gz BYFVDRAFHQIJIZ-WXHSDQCUSA-N 0 3 234.343 3.070 20 0 BGADHN C[C@H](NC[C@@H]1C[C@H]1C1CCC1)c1ccco1 ZINC000424284935 200899494 /nfs/dbraw/zinc/89/94/94/200899494.db2.gz CYBUQRFUYYQKJV-DRZSPHRISA-N 0 3 219.328 3.366 20 0 BGADHN C[C@@H](NC[C@@H]1C[C@H]1C1CCC1)c1ccco1 ZINC000424284936 387952585 /nfs/dbraw/zinc/95/25/85/387952585.db2.gz CYBUQRFUYYQKJV-WXHSDQCUSA-N 0 3 219.328 3.366 20 0 BGADHN C[C@H](NC[C@@H]1C[C@H]1C1CCC1)c1ccncc1F ZINC000424286097 387953132 /nfs/dbraw/zinc/95/31/32/387953132.db2.gz FVNLDGGZWQOVBQ-JKOKRWQUSA-N 0 3 248.345 3.308 20 0 BGADHN C[C@@H](NC[C@@H]1C[C@H]1C1CCC1)c1ccncc1F ZINC000424286100 387952490 /nfs/dbraw/zinc/95/24/90/387952490.db2.gz FVNLDGGZWQOVBQ-OSMZGAPFSA-N 0 3 248.345 3.308 20 0 BGADHN Cc1ccnc([C@H](C)NC[C@@H]2C[C@H]2C2CCC2)c1 ZINC000424286734 387953570 /nfs/dbraw/zinc/95/35/70/387953570.db2.gz GOJVCNOHKUPDBR-QEJZJMRPSA-N 0 3 244.382 3.477 20 0 BGADHN Cc1ccnc([C@@H](C)NC[C@@H]2C[C@H]2C2CCC2)c1 ZINC000424286735 387953609 /nfs/dbraw/zinc/95/36/09/387953609.db2.gz GOJVCNOHKUPDBR-SNPRPXQTSA-N 0 3 244.382 3.477 20 0 BGADHN C[C@H](NC[C@@H]1C[C@H]1C1CCC1)c1ccccn1 ZINC000424297290 387957911 /nfs/dbraw/zinc/95/79/11/387957911.db2.gz RGKQZODBVLJIFE-UBHSHLNASA-N 0 3 230.355 3.168 20 0 BGADHN C[C@@H](NC[C@@H]1C[C@H]1C1CCC1)c1ccccn1 ZINC000424297292 387958851 /nfs/dbraw/zinc/95/88/51/387958851.db2.gz RGKQZODBVLJIFE-XBFCOCLRSA-N 0 3 230.355 3.168 20 0 BGADHN C[C@H](NC[C@@H]1C[C@H]1C1CCC1)c1nccs1 ZINC000424303170 387962746 /nfs/dbraw/zinc/96/27/46/387962746.db2.gz ZCDFNWWCIMBEAX-DLOVCJGASA-N 0 3 236.384 3.230 20 0 BGADHN C[C@@H](NC[C@@H]1C[C@H]1C1CCC1)c1nccs1 ZINC000424303172 387961774 /nfs/dbraw/zinc/96/17/74/387961774.db2.gz ZCDFNWWCIMBEAX-USWWRNFRSA-N 0 3 236.384 3.230 20 0 BGADHN CCCCc1ccc([C@H](C)N[C@@H]2CC[C@H]2O)cc1 ZINC000424309396 387963730 /nfs/dbraw/zinc/96/37/30/387963730.db2.gz APFQMQMEFCMFSI-APHBMKBZSA-N 0 3 247.382 3.203 20 0 BGADHN CCCCc1ccc([C@@H](C)N[C@@H]2CC[C@H]2O)cc1 ZINC000424309397 387963459 /nfs/dbraw/zinc/96/34/59/387963459.db2.gz APFQMQMEFCMFSI-DAXOMENPSA-N 0 3 247.382 3.203 20 0 BGADHN C[C@@H](N[C@@H]1CC[C@H]1O)c1ccc(C(C)(C)C)cc1 ZINC000424310956 387964947 /nfs/dbraw/zinc/96/49/47/387964947.db2.gz DIBBOQYAUDNKKL-KCPJHIHWSA-N 0 3 247.382 3.158 20 0 BGADHN C[C@H](N[C@@H]1CC[C@H]1O)c1ccc(C(C)(C)C)cc1 ZINC000424310957 490226426 /nfs/dbraw/zinc/22/64/26/490226426.db2.gz DIBBOQYAUDNKKL-NILFDRSVSA-N 0 3 247.382 3.158 20 0 BGADHN CCC1CC(N[C@@H]2C[C@]2(F)c2ccccc2)C1 ZINC000424313860 387966763 /nfs/dbraw/zinc/96/67/63/387966763.db2.gz BUNYFEMECBZACZ-AXVKAWJUSA-N 0 3 233.330 3.402 20 0 BGADHN CCC1CC(N[C@H]2C[C@]2(F)c2ccccc2)C1 ZINC000424313863 387966337 /nfs/dbraw/zinc/96/63/37/387966337.db2.gz BUNYFEMECBZACZ-MOQPVCNJSA-N 0 3 233.330 3.402 20 0 BGADHN CCC1CC(N[C@H]2C[C@@]2(F)c2ccccc2)C1 ZINC000424313866 387965425 /nfs/dbraw/zinc/96/54/25/387965425.db2.gz BUNYFEMECBZACZ-RIXNLZLZSA-N 0 3 233.330 3.402 20 0 BGADHN CCC1CC(N[C@@H]2C[C@@]2(F)c2ccccc2)C1 ZINC000424313867 387965657 /nfs/dbraw/zinc/96/56/57/387965657.db2.gz BUNYFEMECBZACZ-UZVIJOLCSA-N 0 3 233.330 3.402 20 0 BGADHN CCC[C@@H](N[C@@H]1CC12CC2)c1ccccn1 ZINC000424314202 385157287 /nfs/dbraw/zinc/15/72/87/385157287.db2.gz BZWHCPQBNRFTSU-CHWSQXEVSA-N 0 3 216.328 3.065 20 0 BGADHN CCC[C@@H](N[C@H]1CC12CC2)c1ccccn1 ZINC000424314204 385158635 /nfs/dbraw/zinc/15/86/35/385158635.db2.gz BZWHCPQBNRFTSU-OLZOCXBDSA-N 0 3 216.328 3.065 20 0 BGADHN CCC[C@H](N[C@@H]1CC12CC2)c1ccccn1 ZINC000424314206 385159209 /nfs/dbraw/zinc/15/92/09/385159209.db2.gz BZWHCPQBNRFTSU-QWHCGFSZSA-N 0 3 216.328 3.065 20 0 BGADHN CCC[C@H](N[C@H]1CC12CC2)c1ccccn1 ZINC000424314207 385158149 /nfs/dbraw/zinc/15/81/49/385158149.db2.gz BZWHCPQBNRFTSU-STQMWFEESA-N 0 3 216.328 3.065 20 0 BGADHN C[C@H](N[C@@H]1C[C@H]1C1CCC1)c1ccncc1F ZINC000424315532 387966105 /nfs/dbraw/zinc/96/61/05/387966105.db2.gz ADUQKGRVFSJZBC-DUFXMDAXSA-N 0 3 234.318 3.060 20 0 BGADHN C[C@@H](N[C@@H]1C[C@H]1C1CCC1)c1ccncc1F ZINC000424315534 387965198 /nfs/dbraw/zinc/96/51/98/387965198.db2.gz ADUQKGRVFSJZBC-LJWDBELGSA-N 0 3 234.318 3.060 20 0 BGADHN CC[C@@H]1CC[C@@H]1N[C@@H]1C[C@]1(F)c1ccccc1 ZINC000424315909 387968144 /nfs/dbraw/zinc/96/81/44/387968144.db2.gz FDBHMRVCOGHUQR-BEAPCOKYSA-N 0 3 233.330 3.402 20 0 BGADHN CC[C@@H]1CC[C@@H]1N[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000424315910 387967021 /nfs/dbraw/zinc/96/70/21/387967021.db2.gz FDBHMRVCOGHUQR-FAAHXZRKSA-N 0 3 233.330 3.402 20 0 BGADHN CC[C@@H]1CC[C@@H]1N[C@H]1C[C@]1(F)c1ccccc1 ZINC000424315912 387968432 /nfs/dbraw/zinc/96/84/32/387968432.db2.gz FDBHMRVCOGHUQR-UNQGMJICSA-N 0 3 233.330 3.402 20 0 BGADHN CC[C@@H](N[C@@H]1C[C@H]1C1CCC1)c1ccc(F)cn1 ZINC000424316090 387968398 /nfs/dbraw/zinc/96/83/98/387968398.db2.gz ALHTYQHIWWEPDB-GZBFAFLISA-N 0 3 248.345 3.450 20 0 BGADHN CC[C@H](N[C@@H]1C[C@H]1C1CCC1)c1ccc(F)cn1 ZINC000424316092 387967321 /nfs/dbraw/zinc/96/73/21/387967321.db2.gz ALHTYQHIWWEPDB-KCQAQPDRSA-N 0 3 248.345 3.450 20 0 BGADHN CC[C@@H]1CC[C@@H]1N[C@H]1C[C@@]1(F)c1ccccc1 ZINC000424316296 387968410 /nfs/dbraw/zinc/96/84/10/387968410.db2.gz FDBHMRVCOGHUQR-UQOMUDLDSA-N 0 3 233.330 3.402 20 0 BGADHN CC(C)C[C@H](N[C@H]1CC12CC2)c1ccccn1 ZINC000424316860 385160328 /nfs/dbraw/zinc/16/03/28/385160328.db2.gz FZCVEPSMVCBDKE-KBPBESRZSA-N 0 3 230.355 3.311 20 0 BGADHN CC(C)C[C@@H](N[C@H]1CC12CC2)c1ccccn1 ZINC000424316861 385160878 /nfs/dbraw/zinc/16/08/78/385160878.db2.gz FZCVEPSMVCBDKE-KGLIPLIRSA-N 0 3 230.355 3.311 20 0 BGADHN CC(C)C[C@H](N[C@@H]1CC12CC2)c1ccccn1 ZINC000424316862 385160237 /nfs/dbraw/zinc/16/02/37/385160237.db2.gz FZCVEPSMVCBDKE-UONOGXRCSA-N 0 3 230.355 3.311 20 0 BGADHN CC(C)C[C@@H](N[C@@H]1CC12CC2)c1ccccn1 ZINC000424316863 385161250 /nfs/dbraw/zinc/16/12/50/385161250.db2.gz FZCVEPSMVCBDKE-ZIAGYGMSSA-N 0 3 230.355 3.311 20 0 BGADHN c1ccc2c(c1)CCSC[C@@H]2N[C@H]1CC12CC2 ZINC000424317813 385160562 /nfs/dbraw/zinc/16/05/62/385160562.db2.gz GZMQTCMJJGWQPB-KBPBESRZSA-N 0 3 245.391 3.159 20 0 BGADHN c1ccc2c(c1)CCSC[C@H]2N[C@H]1CC12CC2 ZINC000424317819 385160572 /nfs/dbraw/zinc/16/05/72/385160572.db2.gz GZMQTCMJJGWQPB-KGLIPLIRSA-N 0 3 245.391 3.159 20 0 BGADHN c1ccc2c(c1)CCSC[C@@H]2N[C@@H]1CC12CC2 ZINC000424317821 385161195 /nfs/dbraw/zinc/16/11/95/385161195.db2.gz GZMQTCMJJGWQPB-UONOGXRCSA-N 0 3 245.391 3.159 20 0 BGADHN c1ccc2c(c1)CCSC[C@H]2N[C@@H]1CC12CC2 ZINC000424317823 385160630 /nfs/dbraw/zinc/16/06/30/385160630.db2.gz GZMQTCMJJGWQPB-ZIAGYGMSSA-N 0 3 245.391 3.159 20 0 BGADHN CC1CC(N[C@H]2C[C@@]2(F)c2ccccc2)C1 ZINC000424318320 200907884 /nfs/dbraw/zinc/90/78/84/200907884.db2.gz HIUAFHYVGGWADW-AKUTZHFWSA-N 0 3 219.303 3.012 20 0 BGADHN CC1CC(N[C@@H]2C[C@@]2(F)c2ccccc2)C1 ZINC000424318321 387967214 /nfs/dbraw/zinc/96/72/14/387967214.db2.gz HIUAFHYVGGWADW-CCAROEGRSA-N 0 3 219.303 3.012 20 0 BGADHN CC1CC(N[C@H]2C[C@]2(F)c2ccccc2)C1 ZINC000424318322 387967734 /nfs/dbraw/zinc/96/77/34/387967734.db2.gz HIUAFHYVGGWADW-FFKWVLBGSA-N 0 3 219.303 3.012 20 0 BGADHN CC1CC(N[C@@H]2C[C@]2(F)c2ccccc2)C1 ZINC000424318323 387967523 /nfs/dbraw/zinc/96/75/23/387967523.db2.gz HIUAFHYVGGWADW-HOFDXXJLSA-N 0 3 219.303 3.012 20 0 BGADHN Cc1ccc2c(c1)[C@@H](N[C@@H]1CC13CC3)CCCO2 ZINC000424318762 385160758 /nfs/dbraw/zinc/16/07/58/385160758.db2.gz HOEOXTYYRGOIQA-DZGCQCFKSA-N 0 3 243.350 3.351 20 0 BGADHN Cc1ccc2c(c1)[C@H](N[C@H]1CC13CC3)CCCO2 ZINC000424318764 385161667 /nfs/dbraw/zinc/16/16/67/385161667.db2.gz HOEOXTYYRGOIQA-HIFRSBDPSA-N 0 3 243.350 3.351 20 0 BGADHN Cc1ccc2c(c1)[C@H](N[C@@H]1CC13CC3)CCCO2 ZINC000424318765 200908945 /nfs/dbraw/zinc/90/89/45/200908945.db2.gz HOEOXTYYRGOIQA-UKRRQHHQSA-N 0 3 243.350 3.351 20 0 BGADHN Cc1ccc2c(c1)[C@@H](N[C@H]1CC13CC3)CCCO2 ZINC000424318766 385161697 /nfs/dbraw/zinc/16/16/97/385161697.db2.gz HOEOXTYYRGOIQA-ZFWWWQNUSA-N 0 3 243.350 3.351 20 0 BGADHN CC[C@H](C)N[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000424320096 387969612 /nfs/dbraw/zinc/96/96/12/387969612.db2.gz FNRBMGJXBAAQLZ-CYZMBNFOSA-N 0 3 207.292 3.012 20 0 BGADHN CC[C@H](C)N[C@H]1C[C@]1(F)c1ccccc1 ZINC000424320099 387969678 /nfs/dbraw/zinc/96/96/78/387969678.db2.gz FNRBMGJXBAAQLZ-DRZSPHRISA-N 0 3 207.292 3.012 20 0 BGADHN CC[C@H](C)N[C@@H]1C[C@]1(F)c1ccccc1 ZINC000424320102 387970061 /nfs/dbraw/zinc/97/00/61/387970061.db2.gz FNRBMGJXBAAQLZ-UHTWSYAYSA-N 0 3 207.292 3.012 20 0 BGADHN CC[C@H](C)N[C@H]1C[C@@]1(F)c1ccccc1 ZINC000424320105 387970179 /nfs/dbraw/zinc/97/01/79/387970179.db2.gz FNRBMGJXBAAQLZ-WCFLWFBJSA-N 0 3 207.292 3.012 20 0 BGADHN C[C@H](N[C@H]1CC12CC2)c1ccc(F)cc1N(C)C ZINC000424320704 385161627 /nfs/dbraw/zinc/16/16/27/385161627.db2.gz JKQIIESFPQWUSL-HZMBPMFUSA-N 0 3 248.345 3.095 20 0 BGADHN C[C@H](N[C@@H]1CC12CC2)c1ccc(F)cc1N(C)C ZINC000424320707 385161396 /nfs/dbraw/zinc/16/13/96/385161396.db2.gz JKQIIESFPQWUSL-IINYFYTJSA-N 0 3 248.345 3.095 20 0 BGADHN C[C@@H](N[C@@H]1CC12CC2)c1ccc(F)cc1N(C)C ZINC000424320709 385160912 /nfs/dbraw/zinc/16/09/12/385160912.db2.gz JKQIIESFPQWUSL-QMTHXVAHSA-N 0 3 248.345 3.095 20 0 BGADHN C[C@@H](N[C@H]1CC12CC2)c1ccc(F)cc1N(C)C ZINC000424320711 385160991 /nfs/dbraw/zinc/16/09/91/385160991.db2.gz JKQIIESFPQWUSL-YGRLFVJLSA-N 0 3 248.345 3.095 20 0 BGADHN CC[C@@H](N[C@@H]1CC12CC2)c1ccccc1F ZINC000424320757 385161372 /nfs/dbraw/zinc/16/13/72/385161372.db2.gz JMWOZAIXTSPNMT-CHWSQXEVSA-N 0 3 219.303 3.419 20 0 BGADHN CC[C@@H](N[C@H]1CC12CC2)c1ccccc1F ZINC000424320759 385160135 /nfs/dbraw/zinc/16/01/35/385160135.db2.gz JMWOZAIXTSPNMT-OLZOCXBDSA-N 0 3 219.303 3.419 20 0 BGADHN CC[C@H](N[C@@H]1CC12CC2)c1ccccc1F ZINC000424320761 385161030 /nfs/dbraw/zinc/16/10/30/385161030.db2.gz JMWOZAIXTSPNMT-QWHCGFSZSA-N 0 3 219.303 3.419 20 0 BGADHN CC[C@H](N[C@H]1CC12CC2)c1ccccc1F ZINC000424320763 385161350 /nfs/dbraw/zinc/16/13/50/385161350.db2.gz JMWOZAIXTSPNMT-STQMWFEESA-N 0 3 219.303 3.419 20 0 BGADHN C[C@H](CC1CC1)N[C@H]1C[C@@]1(F)c1ccccc1 ZINC000424321322 387968978 /nfs/dbraw/zinc/96/89/78/387968978.db2.gz KGMVUEANQSNWHZ-BYCMXARLSA-N 0 3 233.330 3.402 20 0 BGADHN C[C@H](CC1CC1)N[C@@H]1C[C@]1(F)c1ccccc1 ZINC000424321324 387968937 /nfs/dbraw/zinc/96/89/37/387968937.db2.gz KGMVUEANQSNWHZ-DFBGVHRSSA-N 0 3 233.330 3.402 20 0 BGADHN C[C@H](CC1CC1)N[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000424321326 387970386 /nfs/dbraw/zinc/97/03/86/387970386.db2.gz KGMVUEANQSNWHZ-KCPJHIHWSA-N 0 3 233.330 3.402 20 0 BGADHN C[C@H](CC1CC1)N[C@H]1C[C@]1(F)c1ccccc1 ZINC000424321328 387969746 /nfs/dbraw/zinc/96/97/46/387969746.db2.gz KGMVUEANQSNWHZ-UGFHNGPFSA-N 0 3 233.330 3.402 20 0 BGADHN Cc1c([C@H](C)N[C@H]2CC23CC3)cnn1C(C)(C)C ZINC000424321329 385163437 /nfs/dbraw/zinc/16/34/37/385163437.db2.gz KGTIJQSXKNBMGH-GWCFXTLKSA-N 0 3 247.386 3.150 20 0 BGADHN Cc1c([C@H](C)N[C@@H]2CC23CC3)cnn1C(C)(C)C ZINC000424321330 200910242 /nfs/dbraw/zinc/91/02/42/200910242.db2.gz KGTIJQSXKNBMGH-GXFFZTMASA-N 0 3 247.386 3.150 20 0 BGADHN Cc1c([C@@H](C)N[C@H]2CC23CC3)cnn1C(C)(C)C ZINC000424321331 384920541 /nfs/dbraw/zinc/92/05/41/384920541.db2.gz KGTIJQSXKNBMGH-MFKMUULPSA-N 0 3 247.386 3.150 20 0 BGADHN Cc1c([C@@H](C)N[C@@H]2CC23CC3)cnn1C(C)(C)C ZINC000424321332 385164147 /nfs/dbraw/zinc/16/41/47/385164147.db2.gz KGTIJQSXKNBMGH-ZWNOBZJWSA-N 0 3 247.386 3.150 20 0 BGADHN CC1(C)CC(N[C@H]2C[C@@]2(F)c2ccccc2)C1 ZINC000424322509 200909996 /nfs/dbraw/zinc/90/99/96/200909996.db2.gz KZRBZSAUAOREMK-DZGCQCFKSA-N 0 3 233.330 3.402 20 0 BGADHN CC1(C)CC(N[C@@H]2C[C@]2(F)c2ccccc2)C1 ZINC000424322510 387970725 /nfs/dbraw/zinc/97/07/25/387970725.db2.gz KZRBZSAUAOREMK-HIFRSBDPSA-N 0 3 233.330 3.402 20 0 BGADHN CC1(C)CC(N[C@@H]2C[C@@]2(F)c2ccccc2)C1 ZINC000424322511 387971144 /nfs/dbraw/zinc/97/11/44/387971144.db2.gz KZRBZSAUAOREMK-UKRRQHHQSA-N 0 3 233.330 3.402 20 0 BGADHN CC1(C)CC(N[C@H]2C[C@]2(F)c2ccccc2)C1 ZINC000424322512 387971425 /nfs/dbraw/zinc/97/14/25/387971425.db2.gz KZRBZSAUAOREMK-ZFWWWQNUSA-N 0 3 233.330 3.402 20 0 BGADHN CC[C@H](N[C@H]1C[C@]1(F)c1ccccc1)C1CC1 ZINC000424323285 387970988 /nfs/dbraw/zinc/97/09/88/387970988.db2.gz LWINBXQXQVFCGB-KKUMJFAQSA-N 0 3 233.330 3.402 20 0 BGADHN CC[C@H](N[C@@H]1C[C@@]1(F)c1ccccc1)C1CC1 ZINC000424323287 387972454 /nfs/dbraw/zinc/97/24/54/387972454.db2.gz LWINBXQXQVFCGB-RRFJBIMHSA-N 0 3 233.330 3.402 20 0 BGADHN CC[C@H](N[C@H]1C[C@@]1(F)c1ccccc1)C1CC1 ZINC000424323290 387971012 /nfs/dbraw/zinc/97/10/12/387971012.db2.gz LWINBXQXQVFCGB-SOUVJXGZSA-N 0 3 233.330 3.402 20 0 BGADHN CC[C@H](N[C@@H]1C[C@]1(F)c1ccccc1)C1CC1 ZINC000424323293 387971062 /nfs/dbraw/zinc/97/10/62/387971062.db2.gz LWINBXQXQVFCGB-ZNMIVQPWSA-N 0 3 233.330 3.402 20 0 BGADHN C[C@@H](N[C@@H]1C[C@H]1C1CCC1)c1ccco1 ZINC000424324874 387973424 /nfs/dbraw/zinc/97/34/24/387973424.db2.gz KIJWMMHMAPPFKB-ADEWGFFLSA-N 0 3 205.301 3.119 20 0 BGADHN C[C@H](N[C@@H]1C[C@H]1C1CCC1)c1ccco1 ZINC000424324876 387973453 /nfs/dbraw/zinc/97/34/53/387973453.db2.gz KIJWMMHMAPPFKB-ZMLRMANQSA-N 0 3 205.301 3.119 20 0 BGADHN CC(C)n1cc([C@@H](C)N[C@@H]2C[C@H]2C2CCC2)cn1 ZINC000424325474 387972644 /nfs/dbraw/zinc/97/26/44/387972644.db2.gz KZTQIOLETOZAPE-BYCMXARLSA-N 0 3 247.386 3.303 20 0 BGADHN CC(C)n1cc([C@H](C)N[C@@H]2C[C@H]2C2CCC2)cn1 ZINC000424325475 387973240 /nfs/dbraw/zinc/97/32/40/387973240.db2.gz KZTQIOLETOZAPE-TUKIKUTGSA-N 0 3 247.386 3.303 20 0 BGADHN c1c[nH]c([C@H](N[C@@H]2CC23CC3)C2CCCCC2)n1 ZINC000424325555 385166575 /nfs/dbraw/zinc/16/65/75/385166575.db2.gz NWNWOQSGYFPCLG-CHWSQXEVSA-N 0 3 245.370 3.173 20 0 BGADHN c1c[nH]c([C@@H](N[C@@H]2CC23CC3)C2CCCCC2)n1 ZINC000424325557 385166952 /nfs/dbraw/zinc/16/69/52/385166952.db2.gz NWNWOQSGYFPCLG-OLZOCXBDSA-N 0 3 245.370 3.173 20 0 BGADHN c1c[nH]c([C@H](N[C@H]2CC23CC3)C2CCCCC2)n1 ZINC000424325558 385165856 /nfs/dbraw/zinc/16/58/56/385165856.db2.gz NWNWOQSGYFPCLG-QWHCGFSZSA-N 0 3 245.370 3.173 20 0 BGADHN c1c[nH]c([C@@H](N[C@H]2CC23CC3)C2CCCCC2)n1 ZINC000424325561 385166166 /nfs/dbraw/zinc/16/61/66/385166166.db2.gz NWNWOQSGYFPCLG-STQMWFEESA-N 0 3 245.370 3.173 20 0 BGADHN CC1(C)CC[C@@H]1N[C@@H]1C[C@]1(F)c1ccccc1 ZINC000424325653 387973509 /nfs/dbraw/zinc/97/35/09/387973509.db2.gz OGEFSLHPVWYHNF-GUTXKFCHSA-N 0 3 233.330 3.402 20 0 BGADHN CC1(C)CC[C@@H]1N[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000424325655 387973602 /nfs/dbraw/zinc/97/36/02/387973602.db2.gz OGEFSLHPVWYHNF-GZBFAFLISA-N 0 3 233.330 3.402 20 0 BGADHN CC1(C)CC[C@@H]1N[C@H]1C[C@@]1(F)c1ccccc1 ZINC000424325695 387972808 /nfs/dbraw/zinc/97/28/08/387972808.db2.gz OGEFSLHPVWYHNF-KCQAQPDRSA-N 0 3 233.330 3.402 20 0 BGADHN CC1(C)CC[C@@H]1N[C@H]1C[C@]1(F)c1ccccc1 ZINC000424325697 387973903 /nfs/dbraw/zinc/97/39/03/387973903.db2.gz OGEFSLHPVWYHNF-YDHLFZDLSA-N 0 3 233.330 3.402 20 0 BGADHN c1cc2c(o1)CCC[C@H]2N[C@@H]1C[C@H]1C1CCC1 ZINC000424325988 387974045 /nfs/dbraw/zinc/97/40/45/387974045.db2.gz LNRGWAKSEOTCQI-BFHYXJOUSA-N 0 3 231.339 3.435 20 0 BGADHN c1cc2c(o1)CCC[C@@H]2N[C@@H]1C[C@H]1C1CCC1 ZINC000424325989 387972710 /nfs/dbraw/zinc/97/27/10/387972710.db2.gz LNRGWAKSEOTCQI-MELADBBJSA-N 0 3 231.339 3.435 20 0 BGADHN CCC[C@@H](N[C@@H]1CC12CC2)c1cccnc1 ZINC000424326327 385167247 /nfs/dbraw/zinc/16/72/47/385167247.db2.gz OXGWNUDKRREQCY-CHWSQXEVSA-N 0 3 216.328 3.065 20 0 BGADHN CCC[C@@H](N[C@H]1CC12CC2)c1cccnc1 ZINC000424326328 385166006 /nfs/dbraw/zinc/16/60/06/385166006.db2.gz OXGWNUDKRREQCY-OLZOCXBDSA-N 0 3 216.328 3.065 20 0 BGADHN CCC[C@H](N[C@@H]1CC12CC2)c1cccnc1 ZINC000424326330 385167306 /nfs/dbraw/zinc/16/73/06/385167306.db2.gz OXGWNUDKRREQCY-QWHCGFSZSA-N 0 3 216.328 3.065 20 0 BGADHN CCC[C@H](N[C@H]1CC12CC2)c1cccnc1 ZINC000424326332 385165297 /nfs/dbraw/zinc/16/52/97/385165297.db2.gz OXGWNUDKRREQCY-STQMWFEESA-N 0 3 216.328 3.065 20 0 BGADHN CC(C)Cc1ccc([C@H](C)N[C@@H]2CC[C@H]2O)cc1 ZINC000424326697 200913173 /nfs/dbraw/zinc/91/31/73/200913173.db2.gz ZGJRHJSNUDKSJB-APHBMKBZSA-N 0 3 247.382 3.059 20 0 BGADHN CC(C)Cc1ccc([C@@H](C)N[C@@H]2CC[C@H]2O)cc1 ZINC000424326698 387973020 /nfs/dbraw/zinc/97/30/20/387973020.db2.gz ZGJRHJSNUDKSJB-DAXOMENPSA-N 0 3 247.382 3.059 20 0 BGADHN F[C@]1(c2ccccc2)C[C@@H]1N[C@@H]1CC[C@H]1C1CC1 ZINC000424326774 385166278 /nfs/dbraw/zinc/16/62/78/385166278.db2.gz OZILINPBDFUBCQ-FZKCQIBNSA-N 0 3 245.341 3.402 20 0 BGADHN F[C@]1(c2ccccc2)C[C@@H]1N[C@H]1CC[C@@H]1C1CC1 ZINC000424326777 385165448 /nfs/dbraw/zinc/16/54/48/385165448.db2.gz OZILINPBDFUBCQ-UGUYLWEFSA-N 0 3 245.341 3.402 20 0 BGADHN F[C@]1(c2ccccc2)C[C@@H]1N[C@H]1CC[C@H]1C1CC1 ZINC000424326778 385167201 /nfs/dbraw/zinc/16/72/01/385167201.db2.gz OZILINPBDFUBCQ-VGWMRTNUSA-N 0 3 245.341 3.402 20 0 BGADHN F[C@]1(c2ccccc2)C[C@@H]1N[C@@H]1CC[C@@H]1C1CC1 ZINC000424326779 385166261 /nfs/dbraw/zinc/16/62/61/385166261.db2.gz OZILINPBDFUBCQ-WCVJEAGWSA-N 0 3 245.341 3.402 20 0 BGADHN CC1(C)Cc2occc2[C@@H](N[C@H]2CC23CC3)C1 ZINC000424326814 385167228 /nfs/dbraw/zinc/16/72/28/385167228.db2.gz PGQPUPNJPFZHAR-AAEUAGOBSA-N 0 3 231.339 3.435 20 0 BGADHN CC1(C)Cc2occc2[C@H](N[C@@H]2CC23CC3)C1 ZINC000424326815 385166380 /nfs/dbraw/zinc/16/63/80/385166380.db2.gz PGQPUPNJPFZHAR-DGCLKSJQSA-N 0 3 231.339 3.435 20 0 BGADHN CC1(C)Cc2occc2[C@@H](N[C@@H]2CC23CC3)C1 ZINC000424326816 385166038 /nfs/dbraw/zinc/16/60/38/385166038.db2.gz PGQPUPNJPFZHAR-WCQYABFASA-N 0 3 231.339 3.435 20 0 BGADHN CC1(C)Cc2occc2[C@H](N[C@H]2CC23CC3)C1 ZINC000424326817 385166935 /nfs/dbraw/zinc/16/69/35/385166935.db2.gz PGQPUPNJPFZHAR-YPMHNXCESA-N 0 3 231.339 3.435 20 0 BGADHN COc1ccc([C@@H](C)N[C@@H]2CC23CC3)cc1F ZINC000424327861 385166592 /nfs/dbraw/zinc/16/65/92/385166592.db2.gz QAKXCLDIMYBVPO-NOZJJQNGSA-N 0 3 235.302 3.037 20 0 BGADHN COc1ccc([C@@H](C)N[C@H]2CC23CC3)cc1F ZINC000424327862 385167055 /nfs/dbraw/zinc/16/70/55/385167055.db2.gz QAKXCLDIMYBVPO-RNCFNFMXSA-N 0 3 235.302 3.037 20 0 BGADHN COc1ccc([C@H](C)N[C@@H]2CC23CC3)cc1F ZINC000424327863 385166867 /nfs/dbraw/zinc/16/68/67/385166867.db2.gz QAKXCLDIMYBVPO-TVQRCGJNSA-N 0 3 235.302 3.037 20 0 BGADHN COc1ccc([C@H](C)N[C@H]2CC23CC3)cc1F ZINC000424327864 385167171 /nfs/dbraw/zinc/16/71/71/385167171.db2.gz QAKXCLDIMYBVPO-ZANVPECISA-N 0 3 235.302 3.037 20 0 BGADHN CC(C)[C@H](C)N[C@H]1C[C@@]1(F)c1ccccc1 ZINC000424328305 359728360 /nfs/dbraw/zinc/72/83/60/359728360.db2.gz NXSYWLAHSDFEHG-FPMFFAJLSA-N 0 3 221.319 3.258 20 0 BGADHN CC(C)[C@H](C)N[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000424328307 359728580 /nfs/dbraw/zinc/72/85/80/359728580.db2.gz NXSYWLAHSDFEHG-IACUBPJLSA-N 0 3 221.319 3.258 20 0 BGADHN CC(C)[C@H](C)N[C@H]1C[C@]1(F)c1ccccc1 ZINC000424328308 359728850 /nfs/dbraw/zinc/72/88/50/359728850.db2.gz NXSYWLAHSDFEHG-UBHSHLNASA-N 0 3 221.319 3.258 20 0 BGADHN CC(C)[C@H](C)N[C@@H]1C[C@]1(F)c1ccccc1 ZINC000424328310 359728945 /nfs/dbraw/zinc/72/89/45/359728945.db2.gz NXSYWLAHSDFEHG-YUTCNCBUSA-N 0 3 221.319 3.258 20 0 BGADHN CCc1nc(C)c([C@@H](C)N[C@@H]2CC23CC3)s1 ZINC000424328334 206037379 /nfs/dbraw/zinc/03/73/79/206037379.db2.gz QNWVZJMUCOJBOZ-PSASIEDQSA-N 0 3 236.384 3.217 20 0 BGADHN CCc1nc(C)c([C@@H](C)N[C@H]2CC23CC3)s1 ZINC000424328337 206036762 /nfs/dbraw/zinc/03/67/62/206036762.db2.gz QNWVZJMUCOJBOZ-SCZZXKLOSA-N 0 3 236.384 3.217 20 0 BGADHN CCc1nc(C)c([C@H](C)N[C@@H]2CC23CC3)s1 ZINC000424328339 206037171 /nfs/dbraw/zinc/03/71/71/206037171.db2.gz QNWVZJMUCOJBOZ-WCBMZHEXSA-N 0 3 236.384 3.217 20 0 BGADHN CCc1nc(C)c([C@H](C)N[C@H]2CC23CC3)s1 ZINC000424328340 206037563 /nfs/dbraw/zinc/03/75/63/206037563.db2.gz QNWVZJMUCOJBOZ-WPRPVWTQSA-N 0 3 236.384 3.217 20 0 BGADHN CCc1cccnc1[C@@H](C)N[C@@H]1C[C@H]1C1CCC1 ZINC000424328788 206037805 /nfs/dbraw/zinc/03/78/05/206037805.db2.gz OOSXKLMXEZZXCH-BYCMXARLSA-N 0 3 244.382 3.483 20 0 BGADHN CCc1cccnc1[C@H](C)N[C@@H]1C[C@H]1C1CCC1 ZINC000424328790 206037285 /nfs/dbraw/zinc/03/72/85/206037285.db2.gz OOSXKLMXEZZXCH-TUKIKUTGSA-N 0 3 244.382 3.483 20 0 BGADHN COc1ccc([C@@H](C)N[C@@H]2CC23CC3)c(F)c1 ZINC000424328961 206037013 /nfs/dbraw/zinc/03/70/13/206037013.db2.gz RIXWGMHNJIFYCK-NOZJJQNGSA-N 0 3 235.302 3.037 20 0 BGADHN COc1ccc([C@@H](C)N[C@H]2CC23CC3)c(F)c1 ZINC000424328963 206037597 /nfs/dbraw/zinc/03/75/97/206037597.db2.gz RIXWGMHNJIFYCK-RNCFNFMXSA-N 0 3 235.302 3.037 20 0 BGADHN COc1ccc([C@H](C)N[C@@H]2CC23CC3)c(F)c1 ZINC000424328965 206037368 /nfs/dbraw/zinc/03/73/68/206037368.db2.gz RIXWGMHNJIFYCK-TVQRCGJNSA-N 0 3 235.302 3.037 20 0 BGADHN COc1ccc([C@H](C)N[C@H]2CC23CC3)c(F)c1 ZINC000424328967 206037523 /nfs/dbraw/zinc/03/75/23/206037523.db2.gz RIXWGMHNJIFYCK-ZANVPECISA-N 0 3 235.302 3.037 20 0 BGADHN COc1cc([C@@H](C)N[C@@H]2CC23CC3)ccc1F ZINC000424329484 385168979 /nfs/dbraw/zinc/16/89/79/385168979.db2.gz SCBMVERJYHOZIN-NOZJJQNGSA-N 0 3 235.302 3.037 20 0 BGADHN COc1cc([C@@H](C)N[C@H]2CC23CC3)ccc1F ZINC000424329486 385169696 /nfs/dbraw/zinc/16/96/96/385169696.db2.gz SCBMVERJYHOZIN-RNCFNFMXSA-N 0 3 235.302 3.037 20 0 BGADHN COc1cc([C@H](C)N[C@@H]2CC23CC3)ccc1F ZINC000424329487 385168472 /nfs/dbraw/zinc/16/84/72/385168472.db2.gz SCBMVERJYHOZIN-TVQRCGJNSA-N 0 3 235.302 3.037 20 0 BGADHN COc1cc([C@H](C)N[C@H]2CC23CC3)ccc1F ZINC000424329488 200914204 /nfs/dbraw/zinc/91/42/04/200914204.db2.gz SCBMVERJYHOZIN-ZANVPECISA-N 0 3 235.302 3.037 20 0 BGADHN CCC(CC)N[C@H]1C[C@]1(F)c1ccccc1 ZINC000424329716 387974921 /nfs/dbraw/zinc/97/49/21/387974921.db2.gz PUSPQFCUPNUWSJ-KBPBESRZSA-N 0 3 221.319 3.402 20 0 BGADHN CCC(CC)N[C@@H]1C[C@]1(F)c1ccccc1 ZINC000424329718 387975361 /nfs/dbraw/zinc/97/53/61/387975361.db2.gz PUSPQFCUPNUWSJ-KGLIPLIRSA-N 0 3 221.319 3.402 20 0 BGADHN CCC(CC)N[C@H]1C[C@@]1(F)c1ccccc1 ZINC000424329720 387975647 /nfs/dbraw/zinc/97/56/47/387975647.db2.gz PUSPQFCUPNUWSJ-UONOGXRCSA-N 0 3 221.319 3.402 20 0 BGADHN CCC(CC)N[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000424329722 387975115 /nfs/dbraw/zinc/97/51/15/387975115.db2.gz PUSPQFCUPNUWSJ-ZIAGYGMSSA-N 0 3 221.319 3.402 20 0 BGADHN C[C@H](N[C@H]1C[C@@]1(F)c1ccccc1)C1(C)CC1 ZINC000424329868 387975866 /nfs/dbraw/zinc/97/58/66/387975866.db2.gz SUMABZANDDYGAL-CORIIIEPSA-N 0 3 233.330 3.402 20 0 BGADHN C[C@H](N[C@@H]1C[C@]1(F)c1ccccc1)C1(C)CC1 ZINC000424329870 387975882 /nfs/dbraw/zinc/97/58/82/387975882.db2.gz SUMABZANDDYGAL-LNSITVRQSA-N 0 3 233.330 3.402 20 0 BGADHN C[C@H](N[C@@H]1C[C@@]1(F)c1ccccc1)C1(C)CC1 ZINC000424329871 387975123 /nfs/dbraw/zinc/97/51/23/387975123.db2.gz SUMABZANDDYGAL-NJZAAPMLSA-N 0 3 233.330 3.402 20 0 BGADHN C[C@H](N[C@H]1C[C@]1(F)c1ccccc1)C1(C)CC1 ZINC000424329872 387974836 /nfs/dbraw/zinc/97/48/36/387974836.db2.gz SUMABZANDDYGAL-WHOFXGATSA-N 0 3 233.330 3.402 20 0 BGADHN Cc1ccnc([C@H](C)N[C@@H]2C[C@H]2C2CCC2)c1 ZINC000424330139 200914882 /nfs/dbraw/zinc/91/48/82/200914882.db2.gz QINCAMZUVUSYKU-CORIIIEPSA-N 0 3 230.355 3.229 20 0 BGADHN Cc1ccnc([C@@H](C)N[C@@H]2C[C@H]2C2CCC2)c1 ZINC000424330140 387975782 /nfs/dbraw/zinc/97/57/82/387975782.db2.gz QINCAMZUVUSYKU-OSAQELSMSA-N 0 3 230.355 3.229 20 0 BGADHN CCC[C@H](C)N[C@H]1C[C@@]1(F)c1ccccc1 ZINC000424330920 387975618 /nfs/dbraw/zinc/97/56/18/387975618.db2.gz RMSZLHFQFFIYIA-FPMFFAJLSA-N 0 3 221.319 3.402 20 0 BGADHN CCC[C@H](C)N[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000424330921 387975081 /nfs/dbraw/zinc/97/50/81/387975081.db2.gz RMSZLHFQFFIYIA-IACUBPJLSA-N 0 3 221.319 3.402 20 0 BGADHN CCC[C@H](C)N[C@H]1C[C@]1(F)c1ccccc1 ZINC000424330922 387974724 /nfs/dbraw/zinc/97/47/24/387974724.db2.gz RMSZLHFQFFIYIA-UBHSHLNASA-N 0 3 221.319 3.402 20 0 BGADHN CCC[C@H](C)N[C@@H]1C[C@]1(F)c1ccccc1 ZINC000424330923 387974822 /nfs/dbraw/zinc/97/48/22/387974822.db2.gz RMSZLHFQFFIYIA-YUTCNCBUSA-N 0 3 221.319 3.402 20 0 BGADHN CC(C)Cc1cccc([C@H](C)N[C@@H]2CC[C@H]2O)c1 ZINC000424331360 387977597 /nfs/dbraw/zinc/97/75/97/387977597.db2.gz SBALFJITTMBBCP-APHBMKBZSA-N 0 3 247.382 3.059 20 0 BGADHN CC(C)Cc1cccc([C@@H](C)N[C@@H]2CC[C@H]2O)c1 ZINC000424331362 387976883 /nfs/dbraw/zinc/97/68/83/387976883.db2.gz SBALFJITTMBBCP-DAXOMENPSA-N 0 3 247.382 3.059 20 0 BGADHN C[C@@H](N[C@@H]1CC12CC2)c1cnn(C2CCCC2)c1 ZINC000424331638 385169206 /nfs/dbraw/zinc/16/92/06/385169206.db2.gz VQIOUANYCBCJDX-BXUZGUMPSA-N 0 3 245.370 3.201 20 0 BGADHN C[C@H](N[C@H]1CC12CC2)c1cnn(C2CCCC2)c1 ZINC000424331639 385168448 /nfs/dbraw/zinc/16/84/48/385168448.db2.gz VQIOUANYCBCJDX-FZMZJTMJSA-N 0 3 245.370 3.201 20 0 BGADHN C[C@@H](N[C@H]1CC12CC2)c1cnn(C2CCCC2)c1 ZINC000424331640 385169538 /nfs/dbraw/zinc/16/95/38/385169538.db2.gz VQIOUANYCBCJDX-RISCZKNCSA-N 0 3 245.370 3.201 20 0 BGADHN C[C@H](N[C@@H]1CC12CC2)c1cnn(C2CCCC2)c1 ZINC000424331641 385169023 /nfs/dbraw/zinc/16/90/23/385169023.db2.gz VQIOUANYCBCJDX-SMDDNHRTSA-N 0 3 245.370 3.201 20 0 BGADHN C[C@H](N[C@H]1C[C@]1(F)c1ccccc1)C1CCC1 ZINC000424331671 387976653 /nfs/dbraw/zinc/97/66/53/387976653.db2.gz SCOCSTANRUVGRH-CQDKDKBSSA-N 0 3 233.330 3.402 20 0 BGADHN C[C@H](N[C@@H]1C[C@]1(F)c1ccccc1)C1CCC1 ZINC000424331672 387976456 /nfs/dbraw/zinc/97/64/56/387976456.db2.gz SCOCSTANRUVGRH-GLQYFDAESA-N 0 3 233.330 3.402 20 0 BGADHN C[C@H](N[C@@H]1C[C@@]1(F)c1ccccc1)C1CCC1 ZINC000424331673 387977126 /nfs/dbraw/zinc/97/71/26/387977126.db2.gz SCOCSTANRUVGRH-NILFDRSVSA-N 0 3 233.330 3.402 20 0 BGADHN C[C@H](N[C@H]1C[C@@]1(F)c1ccccc1)C1CCC1 ZINC000424331674 387976795 /nfs/dbraw/zinc/97/67/95/387976795.db2.gz SCOCSTANRUVGRH-TUKIKUTGSA-N 0 3 233.330 3.402 20 0 BGADHN C[C@@H]1C[C@H](N[C@@H]2C[C@@]2(F)c2ccccc2)[C@@H]1C ZINC000424332467 387976573 /nfs/dbraw/zinc/97/65/73/387976573.db2.gz WLKLCPSFWSRYSU-GBIGGCNCSA-N 0 3 233.330 3.258 20 0 BGADHN C[C@@H]1C[C@H](N[C@@H]2C[C@]2(F)c2ccccc2)[C@@H]1C ZINC000424332468 387977551 /nfs/dbraw/zinc/97/75/51/387977551.db2.gz WLKLCPSFWSRYSU-NXRJPMIISA-N 0 3 233.330 3.258 20 0 BGADHN C[C@@H]1C[C@H](N[C@@H]2C[C@]2(F)c2ccccc2)[C@H]1C ZINC000424332470 387977730 /nfs/dbraw/zinc/97/77/30/387977730.db2.gz WLKLCPSFWSRYSU-WKZARQIDSA-N 0 3 233.330 3.258 20 0 BGADHN C[C@@H]1C[C@H](N[C@@H]2C[C@@]2(F)c2ccccc2)[C@H]1C ZINC000424332471 387976735 /nfs/dbraw/zinc/97/67/35/387976735.db2.gz WLKLCPSFWSRYSU-ZVJHWVFESA-N 0 3 233.330 3.258 20 0 BGADHN CCOc1ccccc1[C@@H](C)N[C@@H]1CC12CC2 ZINC000424332517 385149148 /nfs/dbraw/zinc/14/91/48/385149148.db2.gz WSJAOYRQNYGQDG-BXUZGUMPSA-N 0 3 231.339 3.288 20 0 BGADHN CCOc1ccccc1[C@H](C)N[C@H]1CC12CC2 ZINC000424332518 385149358 /nfs/dbraw/zinc/14/93/58/385149358.db2.gz WSJAOYRQNYGQDG-FZMZJTMJSA-N 0 3 231.339 3.288 20 0 BGADHN CCOc1ccccc1[C@@H](C)N[C@H]1CC12CC2 ZINC000424332520 385149523 /nfs/dbraw/zinc/14/95/23/385149523.db2.gz WSJAOYRQNYGQDG-RISCZKNCSA-N 0 3 231.339 3.288 20 0 BGADHN CCOc1ccccc1[C@H](C)N[C@@H]1CC12CC2 ZINC000424332522 385148189 /nfs/dbraw/zinc/14/81/89/385148189.db2.gz WSJAOYRQNYGQDG-SMDDNHRTSA-N 0 3 231.339 3.288 20 0 BGADHN Cc1ccc2c(c1)OCCC[C@@H]2N[C@@H]1CC12CC2 ZINC000424333107 385148259 /nfs/dbraw/zinc/14/82/59/385148259.db2.gz XKYRWHXGDOSJJH-DZGCQCFKSA-N 0 3 243.350 3.351 20 0 BGADHN Cc1ccc2c(c1)OCCC[C@H]2N[C@H]1CC12CC2 ZINC000424333108 385147953 /nfs/dbraw/zinc/14/79/53/385147953.db2.gz XKYRWHXGDOSJJH-HIFRSBDPSA-N 0 3 243.350 3.351 20 0 BGADHN Cc1ccc2c(c1)OCCC[C@H]2N[C@@H]1CC12CC2 ZINC000424333109 385149376 /nfs/dbraw/zinc/14/93/76/385149376.db2.gz XKYRWHXGDOSJJH-UKRRQHHQSA-N 0 3 243.350 3.351 20 0 BGADHN Cc1ccc2c(c1)OCCC[C@@H]2N[C@H]1CC12CC2 ZINC000424333110 385148456 /nfs/dbraw/zinc/14/84/56/385148456.db2.gz XKYRWHXGDOSJJH-ZFWWWQNUSA-N 0 3 243.350 3.351 20 0 BGADHN CCc1ccc([C@@H](C)N[C@@H]2CC23CC3)o1 ZINC000424333539 385148795 /nfs/dbraw/zinc/14/87/95/385148795.db2.gz XSSJMNJPOSVSSG-BXKDBHETSA-N 0 3 205.301 3.045 20 0 BGADHN CCc1ccc([C@H](C)N[C@H]2CC23CC3)o1 ZINC000424333541 385148781 /nfs/dbraw/zinc/14/87/81/385148781.db2.gz XSSJMNJPOSVSSG-CABZTGNLSA-N 0 3 205.301 3.045 20 0 BGADHN CCc1ccc([C@H](C)N[C@@H]2CC23CC3)o1 ZINC000424333542 385149301 /nfs/dbraw/zinc/14/93/01/385149301.db2.gz XSSJMNJPOSVSSG-JOYOIKCWSA-N 0 3 205.301 3.045 20 0 BGADHN CCc1ccc([C@@H](C)N[C@H]2CC23CC3)o1 ZINC000424333544 385148334 /nfs/dbraw/zinc/14/83/34/385148334.db2.gz XSSJMNJPOSVSSG-SKDRFNHKSA-N 0 3 205.301 3.045 20 0 BGADHN COc1ccc(C)cc1[C@@H](C)N[C@@H]1CC12CC2 ZINC000424333941 385149439 /nfs/dbraw/zinc/14/94/39/385149439.db2.gz YBWWVUGZTRITHZ-BXUZGUMPSA-N 0 3 231.339 3.207 20 0 BGADHN COc1ccc(C)cc1[C@H](C)N[C@H]1CC12CC2 ZINC000424333943 385149210 /nfs/dbraw/zinc/14/92/10/385149210.db2.gz YBWWVUGZTRITHZ-FZMZJTMJSA-N 0 3 231.339 3.207 20 0 BGADHN COc1ccc(C)cc1[C@@H](C)N[C@H]1CC12CC2 ZINC000424333945 385148637 /nfs/dbraw/zinc/14/86/37/385148637.db2.gz YBWWVUGZTRITHZ-RISCZKNCSA-N 0 3 231.339 3.207 20 0 BGADHN COc1ccc(C)cc1[C@H](C)N[C@@H]1CC12CC2 ZINC000424333947 385149124 /nfs/dbraw/zinc/14/91/24/385149124.db2.gz YBWWVUGZTRITHZ-SMDDNHRTSA-N 0 3 231.339 3.207 20 0 BGADHN CC[C@@H](N[C@@H]1CC12CC2)c1ccsc1 ZINC000424334113 385148390 /nfs/dbraw/zinc/14/83/90/385148390.db2.gz YOIBGJDBRCIVRF-GHMZBOCLSA-N 0 3 207.342 3.341 20 0 BGADHN CC[C@@H](N[C@H]1CC12CC2)c1ccsc1 ZINC000424334115 385149134 /nfs/dbraw/zinc/14/91/34/385149134.db2.gz YOIBGJDBRCIVRF-MNOVXSKESA-N 0 3 207.342 3.341 20 0 BGADHN CC[C@H](N[C@H]1CC12CC2)c1ccsc1 ZINC000424334117 385148246 /nfs/dbraw/zinc/14/82/46/385148246.db2.gz YOIBGJDBRCIVRF-QWRGUYRKSA-N 0 3 207.342 3.341 20 0 BGADHN CC[C@H](N[C@@H]1CC12CC2)c1ccsc1 ZINC000424334118 385148371 /nfs/dbraw/zinc/14/83/71/385148371.db2.gz YOIBGJDBRCIVRF-WDEREUQCSA-N 0 3 207.342 3.341 20 0 BGADHN CC(C)[C@@H](N[C@@H]1CC12CC2)c1ccc(F)cn1 ZINC000424335180 385148986 /nfs/dbraw/zinc/14/89/86/385148986.db2.gz ZMWLUDPDYZHKOX-CHWSQXEVSA-N 0 3 234.318 3.060 20 0 BGADHN CC(C)[C@H](N[C@@H]1CC12CC2)c1ccc(F)cn1 ZINC000424335182 200915417 /nfs/dbraw/zinc/91/54/17/200915417.db2.gz ZMWLUDPDYZHKOX-OLZOCXBDSA-N 0 3 234.318 3.060 20 0 BGADHN CC(C)[C@@H](N[C@H]1CC12CC2)c1ccc(F)cn1 ZINC000424335185 200915713 /nfs/dbraw/zinc/91/57/13/200915713.db2.gz ZMWLUDPDYZHKOX-QWHCGFSZSA-N 0 3 234.318 3.060 20 0 BGADHN CC(C)[C@H](N[C@H]1CC12CC2)c1ccc(F)cn1 ZINC000424335188 385150330 /nfs/dbraw/zinc/15/03/30/385150330.db2.gz ZMWLUDPDYZHKOX-STQMWFEESA-N 0 3 234.318 3.060 20 0 BGADHN Cc1ccc([C@@H](C)N[C@@H]2C[C@H]2C2CCC2)o1 ZINC000424337104 387981064 /nfs/dbraw/zinc/98/10/64/387981064.db2.gz YWCXTNPYDSCBIM-KGYLQXTDSA-N 0 3 219.328 3.427 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H]2C[C@H]2C2CCC2)o1 ZINC000424337106 387979661 /nfs/dbraw/zinc/97/96/61/387979661.db2.gz YWCXTNPYDSCBIM-WCFLWFBJSA-N 0 3 219.328 3.427 20 0 BGADHN C[C@H](N[C@@H]1C[C@H]1C1CCC1)c1ccc(F)cn1 ZINC000424337181 387981011 /nfs/dbraw/zinc/98/10/11/387981011.db2.gz ZCCIJUYILGZQJO-DUFXMDAXSA-N 0 3 234.318 3.060 20 0 BGADHN C[C@@H](N[C@@H]1C[C@H]1C1CCC1)c1ccc(F)cn1 ZINC000424337183 387981124 /nfs/dbraw/zinc/98/11/24/387981124.db2.gz ZCCIJUYILGZQJO-LJWDBELGSA-N 0 3 234.318 3.060 20 0 BGADHN C[C@H](N[C@@H]1C[C@H]2C[C@H]2C1)c1ccc(Cl)cn1 ZINC000424338294 387980635 /nfs/dbraw/zinc/98/06/35/387980635.db2.gz ARCNGYRKKJXMCC-GUDRVLHUSA-N 0 3 236.746 3.184 20 0 BGADHN C[C@@H](N[C@@H]1C[C@H]2C[C@H]2C1)c1ccc(Cl)cn1 ZINC000424338297 387980898 /nfs/dbraw/zinc/98/08/98/387980898.db2.gz ARCNGYRKKJXMCC-MWGHHZFTSA-N 0 3 236.746 3.184 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@H](C2CC2)C1)c1nccn1C ZINC000424339248 387982795 /nfs/dbraw/zinc/98/27/95/387982795.db2.gz BMUJWZXPDYRZOQ-FPMFFAJLSA-N 0 3 247.386 3.040 20 0 BGADHN C[C@@H](N[C@@H]1CCC[C@H](C2CC2)C1)c1nccn1C ZINC000424339251 387982234 /nfs/dbraw/zinc/98/22/34/387982234.db2.gz BMUJWZXPDYRZOQ-KWCYVHTRSA-N 0 3 247.386 3.040 20 0 BGADHN Fc1ccc(F)c2c1CC[C@@H]2N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000424342823 387981936 /nfs/dbraw/zinc/98/19/36/387981936.db2.gz GEOHZFUIVWXPGQ-JIXVBMEVSA-N 0 3 249.304 3.340 20 0 BGADHN Fc1ccc(F)c2c1CC[C@H]2N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000424342826 387982223 /nfs/dbraw/zinc/98/22/23/387982223.db2.gz GEOHZFUIVWXPGQ-QOBXEIRBSA-N 0 3 249.304 3.340 20 0 BGADHN Cc1cc([C@@H](C)N[C@@H]2C[C@H]3C[C@H]3C2)oc1C ZINC000424344802 387983540 /nfs/dbraw/zinc/98/35/40/387983540.db2.gz ICAKFFYPIIRWDO-FOUMNBMASA-N 0 3 219.328 3.346 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2C[C@H]3C[C@H]3C2)oc1C ZINC000424344806 387983328 /nfs/dbraw/zinc/98/33/28/387983328.db2.gz ICAKFFYPIIRWDO-SYEHKZFSSA-N 0 3 219.328 3.346 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@H](C2CC2)C1)c1ccncn1 ZINC000424349558 387984935 /nfs/dbraw/zinc/98/49/35/387984935.db2.gz MACHHNMCFYPKCD-FPMFFAJLSA-N 0 3 245.370 3.096 20 0 BGADHN C[C@@H](N[C@@H]1CCC[C@H](C2CC2)C1)c1ccncn1 ZINC000424349559 387985824 /nfs/dbraw/zinc/98/58/24/387985824.db2.gz MACHHNMCFYPKCD-KWCYVHTRSA-N 0 3 245.370 3.096 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@H](C2CC2)C1)c1ccn(C)n1 ZINC000424352672 387987044 /nfs/dbraw/zinc/98/70/44/387987044.db2.gz OLQISFQJQOCWJY-FPMFFAJLSA-N 0 3 247.386 3.040 20 0 BGADHN C[C@@H](N[C@@H]1CCC[C@H](C2CC2)C1)c1ccn(C)n1 ZINC000424352673 387986572 /nfs/dbraw/zinc/98/65/72/387986572.db2.gz OLQISFQJQOCWJY-KWCYVHTRSA-N 0 3 247.386 3.040 20 0 BGADHN CCc1ccc([C@@H](C)N[C@@H]2C[C@H]3C[C@H]3C2)o1 ZINC000424354053 387987502 /nfs/dbraw/zinc/98/75/02/387987502.db2.gz PVMFIIQOBKZKOL-WISYIIOYSA-N 0 3 219.328 3.291 20 0 BGADHN CCc1ccc([C@H](C)N[C@@H]2C[C@H]3C[C@H]3C2)o1 ZINC000424354054 387986608 /nfs/dbraw/zinc/98/66/08/387986608.db2.gz PVMFIIQOBKZKOL-YFKTTZPYSA-N 0 3 219.328 3.291 20 0 BGADHN C[C@@H](N[C@@H]1C[C@H]2C[C@H]2C1)c1ccncc1Cl ZINC000424361938 387990486 /nfs/dbraw/zinc/99/04/86/387990486.db2.gz YCBWCGPNSOOLNW-CHWFTXMASA-N 0 3 236.746 3.184 20 0 BGADHN C[C@H](N[C@@H]1C[C@H]2C[C@H]2C1)c1ccncc1Cl ZINC000424361941 387989920 /nfs/dbraw/zinc/98/99/20/387989920.db2.gz YCBWCGPNSOOLNW-MMWGEVLESA-N 0 3 236.746 3.184 20 0 BGADHN CCCN(Cc1cncn1C(C)C)CC1CC1 ZINC000425318311 386555074 /nfs/dbraw/zinc/55/50/74/386555074.db2.gz ATJHXICXVNUXPT-UHFFFAOYSA-N 0 3 235.375 3.086 20 0 BGADHN CC(C)[C@@H](C)N(Cc1cncn1C(C)C)C1CC1 ZINC000425318577 386557343 /nfs/dbraw/zinc/55/73/43/386557343.db2.gz AYTDUYITHCEIPV-CYBMUJFWSA-N 0 3 249.402 3.473 20 0 BGADHN CC(C)[C@H](C)N(Cc1cncn1C(C)C)C1CC1 ZINC000425318583 386558055 /nfs/dbraw/zinc/55/80/55/386558055.db2.gz AYTDUYITHCEIPV-ZDUSSCGKSA-N 0 3 249.402 3.473 20 0 BGADHN CC(C)n1cncc1CN(C)[C@H]1CCC[C@H](C)C1 ZINC000425319611 386560054 /nfs/dbraw/zinc/56/00/54/386560054.db2.gz BAIRAAWFLZWJJI-KBPBESRZSA-N 0 3 249.402 3.475 20 0 BGADHN CC(C)n1cncc1CN(C)[C@H]1CCC[C@@H](C)C1 ZINC000425319612 386557712 /nfs/dbraw/zinc/55/77/12/386557712.db2.gz BAIRAAWFLZWJJI-KGLIPLIRSA-N 0 3 249.402 3.475 20 0 BGADHN CC(C)n1cncc1CN(C)[C@@H]1CCC[C@H](C)C1 ZINC000425319613 386559993 /nfs/dbraw/zinc/55/99/93/386559993.db2.gz BAIRAAWFLZWJJI-UONOGXRCSA-N 0 3 249.402 3.475 20 0 BGADHN CC(C)n1cncc1CN(C)[C@@H]1CCC[C@@H](C)C1 ZINC000425319614 386559262 /nfs/dbraw/zinc/55/92/62/386559262.db2.gz BAIRAAWFLZWJJI-ZIAGYGMSSA-N 0 3 249.402 3.475 20 0 BGADHN CCCN(CCC)Cc1cncn1C(C)C ZINC000425320057 386557915 /nfs/dbraw/zinc/55/79/15/386557915.db2.gz FAKDDHWJINNIEG-UHFFFAOYSA-N 0 3 223.364 3.086 20 0 BGADHN CCC1CCN(Cc2cncn2C(C)C)CC1 ZINC000425321203 386557363 /nfs/dbraw/zinc/55/73/63/386557363.db2.gz DQBAIMTZPVETMT-UHFFFAOYSA-N 0 3 235.375 3.086 20 0 BGADHN CC(C)CCN(Cc1cncn1C(C)C)C1CC1 ZINC000425321251 385314436 /nfs/dbraw/zinc/31/44/36/385314436.db2.gz DXBMCGBRTHXMGU-UHFFFAOYSA-N 0 3 249.402 3.475 20 0 BGADHN CCCCN(Cc1cncn1C(C)C)C1CC1 ZINC000425321601 191798540 /nfs/dbraw/zinc/79/85/40/191798540.db2.gz FNOMWHGXIWLOMA-UHFFFAOYSA-N 0 3 235.375 3.229 20 0 BGADHN CC(C)n1cncc1CN(C)CC1CCCCC1 ZINC000425322251 386558110 /nfs/dbraw/zinc/55/81/10/386558110.db2.gz HCOAOIAIDNABSM-UHFFFAOYSA-N 0 3 249.402 3.476 20 0 BGADHN CCC[C@@H](C)N(C)Cc1cncn1C(C)C ZINC000425323294 386562304 /nfs/dbraw/zinc/56/23/04/386562304.db2.gz IYMONTJZOSNBKV-GFCCVEGCSA-N 0 3 223.364 3.084 20 0 BGADHN CCC[C@H](C)N(C)Cc1cncn1C(C)C ZINC000425323295 386562076 /nfs/dbraw/zinc/56/20/76/386562076.db2.gz IYMONTJZOSNBKV-LBPRGKRZSA-N 0 3 223.364 3.084 20 0 BGADHN CC(C)CN(Cc1cncn1C(C)C)C(C)C ZINC000425324415 386561294 /nfs/dbraw/zinc/56/12/94/386561294.db2.gz KPXLUXAMZAPYCY-UHFFFAOYSA-N 0 3 237.391 3.330 20 0 BGADHN CC(C)n1cncc1CN1CCC[C@H]1C(C)(C)C ZINC000425324883 386562987 /nfs/dbraw/zinc/56/29/87/386562987.db2.gz LIWWZAOYGSXIDB-AWEZNQCLSA-N 0 3 249.402 3.475 20 0 BGADHN CC(C)n1cncc1CN1CCC[C@@H]1C(C)(C)C ZINC000425324885 386563348 /nfs/dbraw/zinc/56/33/48/386563348.db2.gz LIWWZAOYGSXIDB-CQSZACIVSA-N 0 3 249.402 3.475 20 0 BGADHN CC(C)n1cncc1CN(C)CC1CCCC1 ZINC000425325309 386561214 /nfs/dbraw/zinc/56/12/14/386561214.db2.gz LQFHGNWUUNZCJM-UHFFFAOYSA-N 0 3 235.375 3.086 20 0 BGADHN CC(C)n1cncc1CN([C@H](C)C1CC1)C1CC1 ZINC000425325820 386568944 /nfs/dbraw/zinc/56/89/44/386568944.db2.gz MULGJSSEJJYRKV-GFCCVEGCSA-N 0 3 247.386 3.227 20 0 BGADHN CC(C)n1cncc1CN([C@@H](C)C1CC1)C1CC1 ZINC000425325821 386569120 /nfs/dbraw/zinc/56/91/20/386569120.db2.gz MULGJSSEJJYRKV-LBPRGKRZSA-N 0 3 247.386 3.227 20 0 BGADHN CC[C@@H]1CCCCN1Cc1cncn1C(C)C ZINC000425326029 386657695 /nfs/dbraw/zinc/65/76/95/386657695.db2.gz PEDQPUUZQDHKKR-CYBMUJFWSA-N 0 3 235.375 3.229 20 0 BGADHN CC[C@H]1CCCCN1Cc1cncn1C(C)C ZINC000425326030 386660062 /nfs/dbraw/zinc/66/00/62/386660062.db2.gz PEDQPUUZQDHKKR-ZDUSSCGKSA-N 0 3 235.375 3.229 20 0 BGADHN CCCCN(CC)Cc1cncn1C(C)C ZINC000425328256 386662444 /nfs/dbraw/zinc/66/24/44/386662444.db2.gz SUBBSKAAOGGCQP-UHFFFAOYSA-N 0 3 223.364 3.086 20 0 BGADHN CC(C)n1cncc1CN(C)C1CCCCC1 ZINC000425328289 386663259 /nfs/dbraw/zinc/66/32/59/386663259.db2.gz TVJDJUCINYZCQA-UHFFFAOYSA-N 0 3 235.375 3.229 20 0 BGADHN CC(C)n1cncc1CN(C)C1CCC(C)CC1 ZINC000425329134 386662973 /nfs/dbraw/zinc/66/29/73/386662973.db2.gz VGRGOVXPRFFPGC-UHFFFAOYSA-N 0 3 249.402 3.475 20 0 BGADHN CC(C)n1cncc1CN(C)C(C1CC1)C1CC1 ZINC000425329402 386662470 /nfs/dbraw/zinc/66/24/70/386662470.db2.gz UCXZNGOYQZPCAO-UHFFFAOYSA-N 0 3 247.386 3.084 20 0 BGADHN CCCN(Cc1cncn1C(C)C)CC(C)C ZINC000425329421 386662419 /nfs/dbraw/zinc/66/24/19/386662419.db2.gz UGFWUFKCCKRTCH-UHFFFAOYSA-N 0 3 237.391 3.332 20 0 BGADHN CCN(Cc1cncn1C(C)C)C1CCCC1 ZINC000425329935 386662929 /nfs/dbraw/zinc/66/29/29/386662929.db2.gz VCSSBRHKWIHVAY-UHFFFAOYSA-N 0 3 235.375 3.229 20 0 BGADHN CCC1(CC)CCN(Cc2cncn2C(C)C)C1 ZINC000425330030 386663214 /nfs/dbraw/zinc/66/32/14/386663214.db2.gz APPMHFXJBIBKAE-UHFFFAOYSA-N 0 3 249.402 3.476 20 0 BGADHN CCC[C@H]1CCCN(Cc2cncn2C(C)C)C1 ZINC000425330266 386662365 /nfs/dbraw/zinc/66/23/65/386662365.db2.gz BDTPSCNRLFUXDU-AWEZNQCLSA-N 0 3 249.402 3.476 20 0 BGADHN CCC[C@@H]1CCCN(Cc2cncn2C(C)C)C1 ZINC000425330269 386661183 /nfs/dbraw/zinc/66/11/83/386661183.db2.gz BDTPSCNRLFUXDU-CQSZACIVSA-N 0 3 249.402 3.476 20 0 BGADHN CC[C@@H]1CCCN(Cc2cncn2C(C)C)C1 ZINC000425330550 386662957 /nfs/dbraw/zinc/66/29/57/386662957.db2.gz WFXVOXCUUQNAKI-CYBMUJFWSA-N 0 3 235.375 3.086 20 0 BGADHN CC[C@H]1CCCN(Cc2cncn2C(C)C)C1 ZINC000425330552 386661410 /nfs/dbraw/zinc/66/14/10/386661410.db2.gz WFXVOXCUUQNAKI-ZDUSSCGKSA-N 0 3 235.375 3.086 20 0 BGADHN CCC1(C)CCN(Cc2cncn2C(C)C)CC1 ZINC000425331041 386663283 /nfs/dbraw/zinc/66/32/83/386663283.db2.gz WPHZDURYCBBGPR-UHFFFAOYSA-N 0 3 249.402 3.476 20 0 BGADHN CC[C@@H](C)CN(CC)Cc1cncn1C(C)C ZINC000425331243 386666234 /nfs/dbraw/zinc/66/62/34/386666234.db2.gz CEOOVPGTVQZSBH-CYBMUJFWSA-N 0 3 237.391 3.332 20 0 BGADHN CC[C@H](C)CN(CC)Cc1cncn1C(C)C ZINC000425331244 386664321 /nfs/dbraw/zinc/66/43/21/386664321.db2.gz CEOOVPGTVQZSBH-ZDUSSCGKSA-N 0 3 237.391 3.332 20 0 BGADHN CC(C)CN(Cc1cncn1C(C)C)C1CC1 ZINC000425332414 386846590 /nfs/dbraw/zinc/84/65/90/386846590.db2.gz ZCRBDVDOOPYWIY-UHFFFAOYSA-N 0 3 235.375 3.084 20 0 BGADHN CCN(Cc1cncn1C(C)C)[C@H](C)C(C)C ZINC000425332742 386844815 /nfs/dbraw/zinc/84/48/15/386844815.db2.gz ZRJXAWCBLXLNKV-CYBMUJFWSA-N 0 3 237.391 3.330 20 0 BGADHN CCN(Cc1cncn1C(C)C)[C@@H](C)C(C)C ZINC000425332743 386846179 /nfs/dbraw/zinc/84/61/79/386846179.db2.gz ZRJXAWCBLXLNKV-ZDUSSCGKSA-N 0 3 237.391 3.330 20 0 BGADHN CC(C)n1cncc1CN1CCCC2(CCC2)C1 ZINC000425333333 386848804 /nfs/dbraw/zinc/84/88/04/386848804.db2.gz FCDWTDVOVNKABX-UHFFFAOYSA-N 0 3 247.386 3.230 20 0 BGADHN CCC(C)(C)N(C)Cc1cncn1C(C)C ZINC000425333502 386849172 /nfs/dbraw/zinc/84/91/72/386849172.db2.gz FPGDUWAXEUAWOV-UHFFFAOYSA-N 0 3 223.364 3.084 20 0 BGADHN CC(C)[C@H]1CCCN(Cc2cncn2C(C)C)C1 ZINC000425333973 386848265 /nfs/dbraw/zinc/84/82/65/386848265.db2.gz FTHLUCPGKIFRIL-AWEZNQCLSA-N 0 3 249.402 3.332 20 0 BGADHN CC(C)[C@@H]1CCCN(Cc2cncn2C(C)C)C1 ZINC000425333975 386848064 /nfs/dbraw/zinc/84/80/64/386848064.db2.gz FTHLUCPGKIFRIL-CQSZACIVSA-N 0 3 249.402 3.332 20 0 BGADHN CC(C)n1cncc1CN1C[C@H](C)C[C@H](C)[C@H]1C ZINC000425334220 386847468 /nfs/dbraw/zinc/84/74/68/386847468.db2.gz GGJGUQIUWYQTBA-HZSPNIEDSA-N 0 3 249.402 3.330 20 0 BGADHN CC(C)n1cncc1CN1C[C@H](C)C[C@@H](C)[C@@H]1C ZINC000425334222 386847882 /nfs/dbraw/zinc/84/78/82/386847882.db2.gz GGJGUQIUWYQTBA-MCIONIFRSA-N 0 3 249.402 3.330 20 0 BGADHN CC(C)n1cncc1CN1C[C@H](C)C[C@@H](C)[C@H]1C ZINC000425334224 386848977 /nfs/dbraw/zinc/84/89/77/386848977.db2.gz GGJGUQIUWYQTBA-MGPQQGTHSA-N 0 3 249.402 3.330 20 0 BGADHN CC(C)n1cncc1CN1C[C@H](C)C[C@H](C)[C@@H]1C ZINC000425334227 386848174 /nfs/dbraw/zinc/84/81/74/386848174.db2.gz GGJGUQIUWYQTBA-RDBSUJKOSA-N 0 3 249.402 3.330 20 0 BGADHN CCN(CCC1CC1)Cc1cncn1C(C)C ZINC000425334669 386848103 /nfs/dbraw/zinc/84/81/03/386848103.db2.gz GVVMIQFWJCQFCX-UHFFFAOYSA-N 0 3 235.375 3.086 20 0 BGADHN CS[C@@H]1CC[C@H]1NCc1cscc1C ZINC000425335991 386851881 /nfs/dbraw/zinc/85/18/81/386851881.db2.gz JPOFXXMIKMFCEL-GHMZBOCLSA-N 0 3 227.398 3.040 20 0 BGADHN CS[C@H]1CC[C@H]1NCc1cscc1C ZINC000425335992 386851287 /nfs/dbraw/zinc/85/12/87/386851287.db2.gz JPOFXXMIKMFCEL-MNOVXSKESA-N 0 3 227.398 3.040 20 0 BGADHN CS[C@H]1CC[C@@H]1NCc1cscc1C ZINC000425335993 386851247 /nfs/dbraw/zinc/85/12/47/386851247.db2.gz JPOFXXMIKMFCEL-QWRGUYRKSA-N 0 3 227.398 3.040 20 0 BGADHN CS[C@@H]1CC[C@@H]1NCc1cscc1C ZINC000425335994 386850240 /nfs/dbraw/zinc/85/02/40/386850240.db2.gz JPOFXXMIKMFCEL-WDEREUQCSA-N 0 3 227.398 3.040 20 0 BGADHN CC[C@H]1CCCN(Cc2cncn2C(C)C)CC1 ZINC000425336029 386851081 /nfs/dbraw/zinc/85/10/81/386851081.db2.gz KEYIDWDHVVGPSU-AWEZNQCLSA-N 0 3 249.402 3.476 20 0 BGADHN CC[C@@H]1CCCN(Cc2cncn2C(C)C)CC1 ZINC000425336030 386850149 /nfs/dbraw/zinc/85/01/49/386850149.db2.gz KEYIDWDHVVGPSU-CQSZACIVSA-N 0 3 249.402 3.476 20 0 BGADHN CC(C)C1CCN(Cc2cncn2C(C)C)CC1 ZINC000425337218 386851896 /nfs/dbraw/zinc/85/18/96/386851896.db2.gz MZBTZRLSXPGQQW-UHFFFAOYSA-N 0 3 249.402 3.332 20 0 BGADHN CC(C)n1cncc1CN1CC[C@H](C)C[C@H](C)C1 ZINC000425337264 386851801 /nfs/dbraw/zinc/85/18/01/386851801.db2.gz NBTLVMCMQCPNOT-KBPBESRZSA-N 0 3 249.402 3.332 20 0 BGADHN CC(C)n1cncc1CN1CC[C@@H](C)C[C@H](C)C1 ZINC000425337266 386851219 /nfs/dbraw/zinc/85/12/19/386851219.db2.gz NBTLVMCMQCPNOT-KGLIPLIRSA-N 0 3 249.402 3.332 20 0 BGADHN CC(C)n1cncc1CN1CC[C@H](C)C[C@@H](C)C1 ZINC000425337268 386849992 /nfs/dbraw/zinc/84/99/92/386849992.db2.gz NBTLVMCMQCPNOT-UONOGXRCSA-N 0 3 249.402 3.332 20 0 BGADHN CC(C)n1cncc1CN(C)[C@@H]1CC[C@@H](C)C1 ZINC000425337269 386851275 /nfs/dbraw/zinc/85/12/75/386851275.db2.gz MKSKLZDHMGMVDP-CHWSQXEVSA-N 0 3 235.375 3.084 20 0 BGADHN CC(C)n1cncc1CN1CC[C@@H](C)C[C@@H](C)C1 ZINC000425337270 386850779 /nfs/dbraw/zinc/85/07/79/386850779.db2.gz NBTLVMCMQCPNOT-ZIAGYGMSSA-N 0 3 249.402 3.332 20 0 BGADHN CC(C)n1cncc1CN(C)[C@H]1CC[C@@H](C)C1 ZINC000425337271 386851826 /nfs/dbraw/zinc/85/18/26/386851826.db2.gz MKSKLZDHMGMVDP-OLZOCXBDSA-N 0 3 235.375 3.084 20 0 BGADHN CC(C)n1cncc1CN(C)[C@@H]1CC[C@H](C)C1 ZINC000425337272 386850826 /nfs/dbraw/zinc/85/08/26/386850826.db2.gz MKSKLZDHMGMVDP-QWHCGFSZSA-N 0 3 235.375 3.084 20 0 BGADHN CC(C)n1cncc1CN(C)[C@H]1CC[C@H](C)C1 ZINC000425337274 191814273 /nfs/dbraw/zinc/81/42/73/191814273.db2.gz MKSKLZDHMGMVDP-STQMWFEESA-N 0 3 235.375 3.084 20 0 BGADHN CC(C)n1cncc1CN(C)C1(C)CCCC1 ZINC000425338047 398214526 /nfs/dbraw/zinc/21/45/26/398214526.db2.gz OJNSFSAVRKQXEN-UHFFFAOYSA-N 0 3 235.375 3.229 20 0 BGADHN CC(C)n1cncc1CN1CC[C@@H](C)C(C)(C)C1 ZINC000425338090 398214631 /nfs/dbraw/zinc/21/46/31/398214631.db2.gz ORFAAVBIMUZOLP-CYBMUJFWSA-N 0 3 249.402 3.332 20 0 BGADHN CC(C)n1cncc1CN1CC[C@H](C)C(C)(C)C1 ZINC000425338091 398214866 /nfs/dbraw/zinc/21/48/66/398214866.db2.gz ORFAAVBIMUZOLP-ZDUSSCGKSA-N 0 3 249.402 3.332 20 0 BGADHN CC(C)C[C@@H]1CCN(Cc2cncn2C(C)C)C1 ZINC000425338505 398214884 /nfs/dbraw/zinc/21/48/84/398214884.db2.gz PVYUCJDDICEAKB-AWEZNQCLSA-N 0 3 249.402 3.332 20 0 BGADHN CC(C)C[C@H]1CCN(Cc2cncn2C(C)C)C1 ZINC000425338507 398214519 /nfs/dbraw/zinc/21/45/19/398214519.db2.gz PVYUCJDDICEAKB-CQSZACIVSA-N 0 3 249.402 3.332 20 0 BGADHN CC(C)n1cncc1CN1CCCC(C)(C)CC1 ZINC000425339266 386840615 /nfs/dbraw/zinc/84/06/15/386840615.db2.gz RMBIYEIJSITDEW-UHFFFAOYSA-N 0 3 249.402 3.476 20 0 BGADHN CC(C)N(Cc1cncn1C(C)C)C1CCC1 ZINC000425339285 386839068 /nfs/dbraw/zinc/83/90/68/386839068.db2.gz RQOUYNJVYPYVFN-UHFFFAOYSA-N 0 3 235.375 3.227 20 0 BGADHN CC(C)n1cncc1CN(C)[C@H](C)C1(C)CC1 ZINC000425340102 386841029 /nfs/dbraw/zinc/84/10/29/386841029.db2.gz UZWUMYMMBRVLMX-GFCCVEGCSA-N 0 3 235.375 3.084 20 0 BGADHN CC(C)n1cncc1CN(C)[C@@H](C)C1(C)CC1 ZINC000425340103 386840405 /nfs/dbraw/zinc/84/04/05/386840405.db2.gz UZWUMYMMBRVLMX-LBPRGKRZSA-N 0 3 235.375 3.084 20 0 BGADHN CC(C)n1cncc1CN(CC1CC1)CC1CC1 ZINC000425341380 386842944 /nfs/dbraw/zinc/84/29/44/386842944.db2.gz XDZKPUDXXUYJDV-UHFFFAOYSA-N 0 3 247.386 3.086 20 0 BGADHN CC[C@@]1(C)CCN(Cc2cncn2C(C)C)C1 ZINC000425341405 386841866 /nfs/dbraw/zinc/84/18/66/386841866.db2.gz XGGALKZCEQWTJV-AWEZNQCLSA-N 0 3 235.375 3.086 20 0 BGADHN CC[C@]1(C)CCN(Cc2cncn2C(C)C)C1 ZINC000425341406 386842766 /nfs/dbraw/zinc/84/27/66/386842766.db2.gz XGGALKZCEQWTJV-CQSZACIVSA-N 0 3 235.375 3.086 20 0 BGADHN CS[C@@H]1CC[C@H]1Nc1cc(C)cc(C)n1 ZINC000425341409 386841596 /nfs/dbraw/zinc/84/15/96/386841596.db2.gz FTLAOGLNBBYZBB-GHMZBOCLSA-N 0 3 222.357 3.004 20 0 BGADHN CS[C@H]1CC[C@H]1Nc1cc(C)cc(C)n1 ZINC000425341412 386843255 /nfs/dbraw/zinc/84/32/55/386843255.db2.gz FTLAOGLNBBYZBB-MNOVXSKESA-N 0 3 222.357 3.004 20 0 BGADHN CS[C@H]1CC[C@@H]1Nc1cc(C)cc(C)n1 ZINC000425341413 386842222 /nfs/dbraw/zinc/84/22/22/386842222.db2.gz FTLAOGLNBBYZBB-QWRGUYRKSA-N 0 3 222.357 3.004 20 0 BGADHN CS[C@@H]1CC[C@@H]1Nc1cc(C)cc(C)n1 ZINC000425341415 191812244 /nfs/dbraw/zinc/81/22/44/191812244.db2.gz FTLAOGLNBBYZBB-WDEREUQCSA-N 0 3 222.357 3.004 20 0 BGADHN CC(C)[C@@H]1CCCCN1Cc1cncn1C(C)C ZINC000425342270 386844596 /nfs/dbraw/zinc/84/45/96/386844596.db2.gz YQJNKWRTCKWDRB-HNNXBMFYSA-N 0 3 249.402 3.475 20 0 BGADHN CC(C)[C@H]1CCCCN1Cc1cncn1C(C)C ZINC000425342271 386846005 /nfs/dbraw/zinc/84/60/05/386846005.db2.gz YQJNKWRTCKWDRB-OAHLLOKOSA-N 0 3 249.402 3.475 20 0 BGADHN CC[C@@]1(C)CCCN(Cc2cncn2C(C)C)C1 ZINC000425342549 386873072 /nfs/dbraw/zinc/87/30/72/386873072.db2.gz ZFFDHZNLVVNWJY-HNNXBMFYSA-N 0 3 249.402 3.476 20 0 BGADHN CC[C@]1(C)CCCN(Cc2cncn2C(C)C)C1 ZINC000425342550 386872227 /nfs/dbraw/zinc/87/22/27/386872227.db2.gz ZFFDHZNLVVNWJY-OAHLLOKOSA-N 0 3 249.402 3.476 20 0 BGADHN CC(C)n1cncc1CN(CC1CC1)C1CCC1 ZINC000425342828 386875219 /nfs/dbraw/zinc/87/52/19/386875219.db2.gz BAWDDSWSALITSD-UHFFFAOYSA-N 0 3 247.386 3.229 20 0 BGADHN CC(C)N(Cc1cncn1C(C)C)CC1CCC1 ZINC000425346754 386858548 /nfs/dbraw/zinc/85/85/48/386858548.db2.gz WVQMCZYPNUMRKD-UHFFFAOYSA-N 0 3 249.402 3.475 20 0 BGADHN Cc1cccc(CN2CC(CC(F)F)C2)c1 ZINC000425347203 191817374 /nfs/dbraw/zinc/81/73/74/191817374.db2.gz AKSCFKKTXIEUOS-UHFFFAOYSA-N 0 3 225.282 3.082 20 0 BGADHN CC(C)n1cncc1CN(C)[C@@H]1CCC(C)(C)C1 ZINC000425347637 386860675 /nfs/dbraw/zinc/86/06/75/386860675.db2.gz YDYWBMNPUQHOHI-CYBMUJFWSA-N 0 3 249.402 3.475 20 0 BGADHN CC(C)n1cncc1CN(C)[C@H]1CCC(C)(C)C1 ZINC000425347638 386861520 /nfs/dbraw/zinc/86/15/20/386861520.db2.gz YDYWBMNPUQHOHI-ZDUSSCGKSA-N 0 3 249.402 3.475 20 0 BGADHN C[C@@H]1CCN(Cc2cc3cccnc3o2)[C@H](C)C1 ZINC000425347702 386861211 /nfs/dbraw/zinc/86/12/11/386861211.db2.gz BEEJIHXRQIIKBL-VXGBXAGGSA-N 0 3 244.338 3.448 20 0 BGADHN CC(C)n1cncc1CN1CCCCC(C)(C)C1 ZINC000425348073 386863225 /nfs/dbraw/zinc/86/32/25/386863225.db2.gz YLSFAFDNHGDJIJ-UHFFFAOYSA-N 0 3 249.402 3.476 20 0 BGADHN CCN(Cc1cncn1C(C)C)CC1CCC1 ZINC000425348112 386863712 /nfs/dbraw/zinc/86/37/12/386863712.db2.gz YQYOQRZCVGVAIY-UHFFFAOYSA-N 0 3 235.375 3.086 20 0 BGADHN CC(C)Cn1cc(CN2CC[C@@H](C)C[C@H]2C)cn1 ZINC000425349394 386866262 /nfs/dbraw/zinc/86/62/62/386866262.db2.gz CXVNRCLIHDHXED-ZIAGYGMSSA-N 0 3 249.402 3.160 20 0 BGADHN Cc1ccc(C)c(CN2CC(CC(F)F)C2)c1 ZINC000425351862 386917394 /nfs/dbraw/zinc/91/73/94/386917394.db2.gz GSPTYYJWQPIUST-UHFFFAOYSA-N 0 3 239.309 3.390 20 0 BGADHN Cc1ccc(CN2CC[C@@H](C)C[C@H]2C)cn1 ZINC000425353403 386918321 /nfs/dbraw/zinc/91/83/21/386918321.db2.gz IXEPHYDICNHDNE-DGCLKSJQSA-N 0 3 218.344 3.010 20 0 BGADHN CCc1ccc(CN2CC[C@@H](C)C[C@H]2C)cn1 ZINC000425355004 386918213 /nfs/dbraw/zinc/91/82/13/386918213.db2.gz LDRSCESCYHSBJA-CHWSQXEVSA-N 0 3 232.371 3.264 20 0 BGADHN Cc1ccc(CN2CC(CC(F)F)C2)cc1C ZINC000425355482 386918955 /nfs/dbraw/zinc/91/89/55/386918955.db2.gz LXVGWTNLEMGELX-UHFFFAOYSA-N 0 3 239.309 3.390 20 0 BGADHN Cc1ccccc1CN1CC(CC(F)F)C1 ZINC000425355489 386919017 /nfs/dbraw/zinc/91/90/17/386919017.db2.gz MAIDYAMCMCFAAN-UHFFFAOYSA-N 0 3 225.282 3.082 20 0 BGADHN C[C@@H]1CCN(C/C=C\c2ccncc2)[C@H](C)C1 ZINC000425356744 386918346 /nfs/dbraw/zinc/91/83/46/386918346.db2.gz NZQQCNWXYLPXHB-JHZNUDOXSA-N 0 3 230.355 3.215 20 0 BGADHN C[C@@H]1CCN(C/C=C/c2ccncc2)[C@H](C)C1 ZINC000425356746 386918241 /nfs/dbraw/zinc/91/82/41/386918241.db2.gz NZQQCNWXYLPXHB-LSMGEYOZSA-N 0 3 230.355 3.215 20 0 BGADHN Cc1ccc(CN2CC[C@@H](C)C[C@H]2C)o1 ZINC000425357441 386913520 /nfs/dbraw/zinc/91/35/20/386913520.db2.gz OTWGHXPFMOVOCW-GHMZBOCLSA-N 0 3 207.317 3.208 20 0 BGADHN COc1cc(C)nc(CN2CC[C@@H](C)C[C@H]2C)c1 ZINC000425357500 386913670 /nfs/dbraw/zinc/91/36/70/386913670.db2.gz PBBJUVZEWURQKB-DGCLKSJQSA-N 0 3 248.370 3.019 20 0 BGADHN Cc1nn(C(C)C)cc1CN1CC[C@@H](C)C[C@H]1C ZINC000425357769 386914387 /nfs/dbraw/zinc/91/43/87/386914387.db2.gz PHSZNFYWZIPFOT-CHWSQXEVSA-N 0 3 249.402 3.393 20 0 BGADHN CCc1ccc(CN2CC(CC(F)F)C2)cc1 ZINC000425358620 386915519 /nfs/dbraw/zinc/91/55/19/386915519.db2.gz QUQLLDFRJHMDGF-UHFFFAOYSA-N 0 3 239.309 3.336 20 0 BGADHN Cc1ccc(CN2CC(CC(F)F)C2)cc1 ZINC000425358761 386915230 /nfs/dbraw/zinc/91/52/30/386915230.db2.gz RKKSTPAVOGESNP-UHFFFAOYSA-N 0 3 225.282 3.082 20 0 BGADHN CC(C)n1nccc1CN1CC[C@@H](C)C[C@H]1C ZINC000425359892 386916138 /nfs/dbraw/zinc/91/61/38/386916138.db2.gz UHJQMMNWRSQPII-CHWSQXEVSA-N 0 3 235.375 3.084 20 0 BGADHN Cc1ccsc1CN1CC(CC(F)F)C1 ZINC000425360044 386916332 /nfs/dbraw/zinc/91/63/32/386916332.db2.gz UZZZRQIOQFQACH-UHFFFAOYSA-N 0 3 231.311 3.144 20 0 BGADHN CCc1ncc(CN2CC[C@@H](C)C[C@H]2C)s1 ZINC000425360065 386916315 /nfs/dbraw/zinc/91/63/15/386916315.db2.gz VBTGXESBJSWGRL-GHMZBOCLSA-N 0 3 238.400 3.326 20 0 BGADHN CC(C)n1cncc1CN1C[C@H](C)CC(C)(C)C1 ZINC000425360131 386977007 /nfs/dbraw/zinc/97/70/07/386977007.db2.gz SKFNWAVEWNTBNA-CYBMUJFWSA-N 0 3 249.402 3.332 20 0 BGADHN CC(C)n1cncc1CN1C[C@@H](C)CC(C)(C)C1 ZINC000425360137 386977794 /nfs/dbraw/zinc/97/77/94/386977794.db2.gz SKFNWAVEWNTBNA-ZDUSSCGKSA-N 0 3 249.402 3.332 20 0 BGADHN Cc1cccc(CN2CC(CC(F)F)C2)c1C ZINC000425360373 386916672 /nfs/dbraw/zinc/91/66/72/386916672.db2.gz VIWYDJRJSSZMJO-UHFFFAOYSA-N 0 3 239.309 3.390 20 0 BGADHN CC(C)n1cc(CN2CC[C@@H](C)C[C@H]2C)cn1 ZINC000425360437 386916735 /nfs/dbraw/zinc/91/67/35/386916735.db2.gz VROKATWGYFPEPL-CHWSQXEVSA-N 0 3 235.375 3.084 20 0 BGADHN Cc1ccc(CN2CC[C@@H](C)C[C@H]2C)nc1 ZINC000425361266 386916037 /nfs/dbraw/zinc/91/60/37/386916037.db2.gz XEXRQZSFWMNMPE-DGCLKSJQSA-N 0 3 218.344 3.010 20 0 BGADHN Cc1ccc(CN2CC(CC(F)F)C2)c(C)c1 ZINC000425361944 386914827 /nfs/dbraw/zinc/91/48/27/386914827.db2.gz YUXVSKYIYWPEAG-UHFFFAOYSA-N 0 3 239.309 3.390 20 0 BGADHN CC(C)n1cncc1CN(C)C[C@H]1CC=CCC1 ZINC000425362908 386970752 /nfs/dbraw/zinc/97/07/52/386970752.db2.gz VWAOFGWLSZSQBM-AWEZNQCLSA-N 0 3 247.386 3.252 20 0 BGADHN CC(C)n1cncc1CN(C)C[C@@H]1CC=CCC1 ZINC000425362909 386970097 /nfs/dbraw/zinc/97/00/97/386970097.db2.gz VWAOFGWLSZSQBM-CQSZACIVSA-N 0 3 247.386 3.252 20 0 BGADHN Cc1cccc(CCN2CC(CC(F)F)C2)c1 ZINC000425363433 386970975 /nfs/dbraw/zinc/97/09/75/386970975.db2.gz BOORVANTXZMKLZ-UHFFFAOYSA-N 0 3 239.309 3.125 20 0 BGADHN CS[C@@H]1CC[C@@H]1N[C@@H](c1cccnc1)C1CC1 ZINC000425365067 191827171 /nfs/dbraw/zinc/82/71/71/191827171.db2.gz XVSZJLHDHHWAGW-BFHYXJOUSA-N 0 3 248.395 3.016 20 0 BGADHN CS[C@@H]1CC[C@H]1N[C@H](c1cccnc1)C1CC1 ZINC000425365068 387022471 /nfs/dbraw/zinc/02/24/71/387022471.db2.gz XVSZJLHDHHWAGW-MCIONIFRSA-N 0 3 248.395 3.016 20 0 BGADHN CS[C@@H]1CC[C@H]1N[C@@H](c1cccnc1)C1CC1 ZINC000425365069 387021736 /nfs/dbraw/zinc/02/17/36/387021736.db2.gz XVSZJLHDHHWAGW-MGPQQGTHSA-N 0 3 248.395 3.016 20 0 BGADHN CS[C@@H]1CC[C@@H]1N[C@H](c1cccnc1)C1CC1 ZINC000425365070 387023010 /nfs/dbraw/zinc/02/30/10/387023010.db2.gz XVSZJLHDHHWAGW-MJBXVCDLSA-N 0 3 248.395 3.016 20 0 BGADHN CC(C)n1cncc1CN1CC[C@@H](C(C)(C)C)C1 ZINC000425365227 387023178 /nfs/dbraw/zinc/02/31/78/387023178.db2.gz YAANACFMUUEIRL-CYBMUJFWSA-N 0 3 249.402 3.332 20 0 BGADHN CC(C)n1cncc1CN1CC[C@H](C(C)(C)C)C1 ZINC000425365228 387021902 /nfs/dbraw/zinc/02/19/02/387021902.db2.gz YAANACFMUUEIRL-ZDUSSCGKSA-N 0 3 249.402 3.332 20 0 BGADHN C[C@H](CN1CC(CC(F)F)C1)c1ccccc1 ZINC000425366688 387025314 /nfs/dbraw/zinc/02/53/14/387025314.db2.gz QHPIWPLMGCTMKB-LLVKDONJSA-N 0 3 239.309 3.377 20 0 BGADHN C[C@@H](CN1CC(CC(F)F)C1)c1ccccc1 ZINC000425366689 387024225 /nfs/dbraw/zinc/02/42/25/387024225.db2.gz QHPIWPLMGCTMKB-NSHDSACASA-N 0 3 239.309 3.377 20 0 BGADHN Cc1cccc(C)c1CN1CC(CC(F)F)C1 ZINC000425366718 387025199 /nfs/dbraw/zinc/02/51/99/387025199.db2.gz QNZJZQZTYGNAFP-UHFFFAOYSA-N 0 3 239.309 3.390 20 0 BGADHN CC(C)n1cncc1CN1CC[C@@H](CC2CC2)C1 ZINC000425367115 387024296 /nfs/dbraw/zinc/02/42/96/387024296.db2.gz HFLXCECUVOAZCV-AWEZNQCLSA-N 0 3 247.386 3.086 20 0 BGADHN CC(C)n1cncc1CN1CC[C@H](CC2CC2)C1 ZINC000425367116 387025251 /nfs/dbraw/zinc/02/52/51/387025251.db2.gz HFLXCECUVOAZCV-CQSZACIVSA-N 0 3 247.386 3.086 20 0 BGADHN CC[C@@H]1CC[C@H](C)N(Cc2cncn2C(C)C)C1 ZINC000425368838 387026686 /nfs/dbraw/zinc/02/66/86/387026686.db2.gz KREHJFLKKGYJKR-UONOGXRCSA-N 0 3 249.402 3.475 20 0 BGADHN Cc1cc(C)cc(CN2CC(CC(F)F)C2)c1 ZINC000425369264 387027122 /nfs/dbraw/zinc/02/71/22/387027122.db2.gz ZTHSQBYZXVKEDT-UHFFFAOYSA-N 0 3 239.309 3.390 20 0 BGADHN CCN(Cc1cncn1C(C)C)C1CC(C)(C)C1 ZINC000425370079 387028184 /nfs/dbraw/zinc/02/81/84/387028184.db2.gz NGNMMMBRFCJMIP-UHFFFAOYSA-N 0 3 249.402 3.475 20 0 BGADHN CC(C)n1cncc1CN(C)C1CC(C)(C)C1 ZINC000425371037 323173943 /nfs/dbraw/zinc/17/39/43/323173943.db2.gz PKLSJCMDLFIWLH-UHFFFAOYSA-N 0 3 235.375 3.084 20 0 BGADHN CCC(CC)N(CC)Cc1cncn1C(C)C ZINC000425375633 387016938 /nfs/dbraw/zinc/01/69/38/387016938.db2.gz CZIXSPLWDYEAEW-UHFFFAOYSA-N 0 3 237.391 3.475 20 0 BGADHN CC(C)n1cncc1CN1CCC[C@H](C2CC2)C1 ZINC000425376482 387029671 /nfs/dbraw/zinc/02/96/71/387029671.db2.gz FKPCBZLVKVWGQP-AWEZNQCLSA-N 0 3 247.386 3.086 20 0 BGADHN CC(C)n1cncc1CN1CCC[C@@H](C2CC2)C1 ZINC000425376483 387029789 /nfs/dbraw/zinc/02/97/89/387029789.db2.gz FKPCBZLVKVWGQP-CQSZACIVSA-N 0 3 247.386 3.086 20 0 BGADHN CC(C)n1cncc1CN(C)[C@@H]1CCCC[C@@H]1C ZINC000425377957 387029652 /nfs/dbraw/zinc/02/96/52/387029652.db2.gz IMYRPJZEXRTZTE-DZGCQCFKSA-N 0 3 249.402 3.475 20 0 BGADHN CC(C)n1cncc1CN(C)[C@H]1CCCC[C@H]1C ZINC000425377958 387029628 /nfs/dbraw/zinc/02/96/28/387029628.db2.gz IMYRPJZEXRTZTE-HIFRSBDPSA-N 0 3 249.402 3.475 20 0 BGADHN CC(C)n1cncc1CN(C)[C@@H]1CCCC[C@H]1C ZINC000425377959 387028964 /nfs/dbraw/zinc/02/89/64/387028964.db2.gz IMYRPJZEXRTZTE-UKRRQHHQSA-N 0 3 249.402 3.475 20 0 BGADHN CC(C)n1cncc1CN(C)[C@H]1CCCC[C@@H]1C ZINC000425377960 387030118 /nfs/dbraw/zinc/03/01/18/387030118.db2.gz IMYRPJZEXRTZTE-ZFWWWQNUSA-N 0 3 249.402 3.475 20 0 BGADHN CO[C@@H](CN(Cc1ccccc1)C1CC1)C1CC1 ZINC000425381341 387034338 /nfs/dbraw/zinc/03/43/38/387034338.db2.gz FQJARBZJZKWDAP-INIZCTEOSA-N 0 3 245.366 3.076 20 0 BGADHN CO[C@H](CN(Cc1ccccc1)C1CC1)C1CC1 ZINC000425381342 387033497 /nfs/dbraw/zinc/03/34/97/387033497.db2.gz FQJARBZJZKWDAP-MRXNPFEDSA-N 0 3 245.366 3.076 20 0 BGADHN CC[C@@H]1CC[C@@H](C)N1Cc1cncn1C(C)C ZINC000425383433 387034748 /nfs/dbraw/zinc/03/47/48/387034748.db2.gz PKEBGCNKAQXIFG-CHWSQXEVSA-N 0 3 235.375 3.227 20 0 BGADHN CC[C@H]1CC[C@@H](C)N1Cc1cncn1C(C)C ZINC000425383435 387034818 /nfs/dbraw/zinc/03/48/18/387034818.db2.gz PKEBGCNKAQXIFG-OLZOCXBDSA-N 0 3 235.375 3.227 20 0 BGADHN CC[C@@H]1CC[C@H](C)N1Cc1cncn1C(C)C ZINC000425383437 387034805 /nfs/dbraw/zinc/03/48/05/387034805.db2.gz PKEBGCNKAQXIFG-QWHCGFSZSA-N 0 3 235.375 3.227 20 0 BGADHN CC[C@H]1CC[C@H](C)N1Cc1cncn1C(C)C ZINC000425383439 387034111 /nfs/dbraw/zinc/03/41/11/387034111.db2.gz PKEBGCNKAQXIFG-STQMWFEESA-N 0 3 235.375 3.227 20 0 BGADHN CC(C)[C@@H]1N(Cc2cncn2C(C)C)CC1(C)C ZINC000425383984 387034401 /nfs/dbraw/zinc/03/44/01/387034401.db2.gz PYWVFEMPJCDEFP-AWEZNQCLSA-N 0 3 249.402 3.330 20 0 BGADHN CC(C)[C@H]1N(Cc2cncn2C(C)C)CC1(C)C ZINC000425383985 387034888 /nfs/dbraw/zinc/03/48/88/387034888.db2.gz PYWVFEMPJCDEFP-CQSZACIVSA-N 0 3 249.402 3.330 20 0 BGADHN CCN(Cc1cncn1C(C)C)CC(C)(C)C ZINC000425384340 387036356 /nfs/dbraw/zinc/03/63/56/387036356.db2.gz QHGVAIMUBCHMCR-UHFFFAOYSA-N 0 3 237.391 3.332 20 0 BGADHN CC(C)n1cncc1CN(C)[C@H](C)C1CCC1 ZINC000425386143 387037323 /nfs/dbraw/zinc/03/73/23/387037323.db2.gz SRUSOCBFJNAMFS-GFCCVEGCSA-N 0 3 235.375 3.084 20 0 BGADHN CC(C)n1cncc1CN(C)[C@@H](C)C1CCC1 ZINC000425386144 387036260 /nfs/dbraw/zinc/03/62/60/387036260.db2.gz SRUSOCBFJNAMFS-LBPRGKRZSA-N 0 3 235.375 3.084 20 0 BGADHN CCCC[C@@H](C)N(C)Cc1cncn1C(C)C ZINC000425386895 387036758 /nfs/dbraw/zinc/03/67/58/387036758.db2.gz UFUBQQSDDSSTIW-CYBMUJFWSA-N 0 3 237.391 3.475 20 0 BGADHN CCCC[C@H](C)N(C)Cc1cncn1C(C)C ZINC000425386896 387035570 /nfs/dbraw/zinc/03/55/70/387035570.db2.gz UFUBQQSDDSSTIW-ZDUSSCGKSA-N 0 3 237.391 3.475 20 0 BGADHN CC(C)n1cncc1CN(C1CCC1)C1CCC1 ZINC000425391628 385941786 /nfs/dbraw/zinc/94/17/86/385941786.db2.gz ZYMBRPNZWTUJMN-UHFFFAOYSA-N 0 3 247.386 3.371 20 0 BGADHN CO[C@H](CN(C)[C@@H](C)c1cccs1)C1CC1 ZINC000425408330 385969400 /nfs/dbraw/zinc/96/94/00/385969400.db2.gz RUVJXAPFTDEJCY-CMPLNLGQSA-N 0 3 239.384 3.166 20 0 BGADHN CO[C@@H](CN(C)[C@@H](C)c1cccs1)C1CC1 ZINC000425408332 385970905 /nfs/dbraw/zinc/97/09/05/385970905.db2.gz RUVJXAPFTDEJCY-JQWIXIFHSA-N 0 3 239.384 3.166 20 0 BGADHN CO[C@@H](CN(C)[C@H](C)c1cccs1)C1CC1 ZINC000425408333 385970636 /nfs/dbraw/zinc/97/06/36/385970636.db2.gz RUVJXAPFTDEJCY-PWSUYJOCSA-N 0 3 239.384 3.166 20 0 BGADHN CO[C@H](CN(C)[C@H](C)c1cccs1)C1CC1 ZINC000425408335 385968563 /nfs/dbraw/zinc/96/85/63/385968563.db2.gz RUVJXAPFTDEJCY-ZYHUDNBSSA-N 0 3 239.384 3.166 20 0 BGADHN CO[C@@H](CN([C@H](C)c1ccco1)C1CC1)C1CC1 ZINC000425415904 385981986 /nfs/dbraw/zinc/98/19/86/385981986.db2.gz KPEYCUXMGIBLML-ABAIWWIYSA-N 0 3 249.354 3.230 20 0 BGADHN CO[C@H](CN([C@H](C)c1ccco1)C1CC1)C1CC1 ZINC000425415907 385980261 /nfs/dbraw/zinc/98/02/61/385980261.db2.gz KPEYCUXMGIBLML-IAQYHMDHSA-N 0 3 249.354 3.230 20 0 BGADHN CO[C@@H](CN([C@@H](C)c1ccco1)C1CC1)C1CC1 ZINC000425415909 385980735 /nfs/dbraw/zinc/98/07/35/385980735.db2.gz KPEYCUXMGIBLML-NHYWBVRUSA-N 0 3 249.354 3.230 20 0 BGADHN CO[C@H](CN([C@@H](C)c1ccco1)C1CC1)C1CC1 ZINC000425415912 385981389 /nfs/dbraw/zinc/98/13/89/385981389.db2.gz KPEYCUXMGIBLML-XHDPSFHLSA-N 0 3 249.354 3.230 20 0 BGADHN CO[C@@H](CN(C)Cc1cc(C)cc(C)c1)C1CC1 ZINC000425471759 386133185 /nfs/dbraw/zinc/13/31/85/386133185.db2.gz HCEJXSIHRHQHQC-INIZCTEOSA-N 0 3 247.382 3.160 20 0 BGADHN CO[C@H](CN(C)Cc1cc(C)cc(C)c1)C1CC1 ZINC000425471761 386133609 /nfs/dbraw/zinc/13/36/09/386133609.db2.gz HCEJXSIHRHQHQC-MRXNPFEDSA-N 0 3 247.382 3.160 20 0 BGADHN CCNC(C)(C)c1cc(Cl)ccc1OC ZINC000425505122 386285685 /nfs/dbraw/zinc/28/56/85/386285685.db2.gz ANFFIYMIDSFGIU-UHFFFAOYSA-N 0 3 227.735 3.193 20 0 BGADHN Cc1nc(CCN2CC[C@@H](C)C[C@H]2C)cs1 ZINC000425519382 386309286 /nfs/dbraw/zinc/30/92/86/386309286.db2.gz GGFSUJNCPOYDFD-GHMZBOCLSA-N 0 3 238.400 3.114 20 0 BGADHN Cc1nc(CN2CC[C@@H](C)C[C@H]2C)sc1C ZINC000425519836 386322090 /nfs/dbraw/zinc/32/20/90/386322090.db2.gz GYBIZZUXMPAKHS-NXEZZACHSA-N 0 3 238.400 3.380 20 0 BGADHN CCc1noc(C)c1CN1CC[C@@H](C)C[C@H]1C ZINC000425525227 386325062 /nfs/dbraw/zinc/32/50/62/386325062.db2.gz SRRDDUCDXZKPLX-GHMZBOCLSA-N 0 3 236.359 3.166 20 0 BGADHN Cc1cccc(CN2CC[C@@H](C)C[C@H]2C)n1 ZINC000425525579 386313192 /nfs/dbraw/zinc/31/31/92/386313192.db2.gz UQLMTHNILQPFKR-DGCLKSJQSA-N 0 3 218.344 3.010 20 0 BGADHN CCc1ccc(CN2CC[C@@H](C)C[C@H]2C)nc1 ZINC000425527249 386311277 /nfs/dbraw/zinc/31/12/77/386311277.db2.gz ZMRDOSAGHRKOGQ-CHWSQXEVSA-N 0 3 232.371 3.264 20 0 BGADHN CCOCCN[C@H](C)c1cc2ccc(C)cc2o1 ZINC000425911877 386575488 /nfs/dbraw/zinc/57/54/88/386575488.db2.gz BYNDXUQOPBANTR-GFCCVEGCSA-N 0 3 247.338 3.428 20 0 BGADHN CCOCCN[C@@H](C)c1cc2ccc(C)cc2o1 ZINC000425911878 386574445 /nfs/dbraw/zinc/57/44/45/386574445.db2.gz BYNDXUQOPBANTR-LBPRGKRZSA-N 0 3 247.338 3.428 20 0 BGADHN COCCN[C@H](C)c1cc2ccc(C)cc2o1 ZINC000425913032 386575125 /nfs/dbraw/zinc/57/51/25/386575125.db2.gz FNFLHQJJHDCJEG-LLVKDONJSA-N 0 3 233.311 3.038 20 0 BGADHN COCCN[C@@H](C)c1cc2ccc(C)cc2o1 ZINC000425913038 386573314 /nfs/dbraw/zinc/57/33/14/386573314.db2.gz FNFLHQJJHDCJEG-NSHDSACASA-N 0 3 233.311 3.038 20 0 BGADHN COCCCN[C@H](C)c1cc2ccc(C)cc2o1 ZINC000425915021 191800011 /nfs/dbraw/zinc/80/00/11/191800011.db2.gz IFIQHFPFNQQXQO-GFCCVEGCSA-N 0 3 247.338 3.428 20 0 BGADHN COCCCN[C@@H](C)c1cc2ccc(C)cc2o1 ZINC000425915022 386572126 /nfs/dbraw/zinc/57/21/26/386572126.db2.gz IFIQHFPFNQQXQO-LBPRGKRZSA-N 0 3 247.338 3.428 20 0 BGADHN Cc1ccc2cc([C@H](C)NC[C@@H](C)CO)oc2c1 ZINC000425952099 191820133 /nfs/dbraw/zinc/82/01/33/191820133.db2.gz GJSRIOUPVSUCQA-NEPJUHHUSA-N 0 3 247.338 3.020 20 0 BGADHN Cc1ccc2cc([C@@H](C)NC[C@H](C)CO)oc2c1 ZINC000425952104 386915037 /nfs/dbraw/zinc/91/50/37/386915037.db2.gz GJSRIOUPVSUCQA-NWDGAFQWSA-N 0 3 247.338 3.020 20 0 BGADHN Cc1ccc2cc([C@H](C)NC[C@H](C)CO)oc2c1 ZINC000425952106 386915831 /nfs/dbraw/zinc/91/58/31/386915831.db2.gz GJSRIOUPVSUCQA-RYUDHWBXSA-N 0 3 247.338 3.020 20 0 BGADHN Cc1ccc2cc([C@@H](C)NC[C@@H](C)CO)oc2c1 ZINC000425952107 386916396 /nfs/dbraw/zinc/91/63/96/386916396.db2.gz GJSRIOUPVSUCQA-VXGBXAGGSA-N 0 3 247.338 3.020 20 0 BGADHN Cc1ccc2cc([C@H](C)N[C@H](C)CCO)oc2c1 ZINC000426025700 387536136 /nfs/dbraw/zinc/53/61/36/387536136.db2.gz WFGAGHCYJWWFOM-NEPJUHHUSA-N 0 3 247.338 3.163 20 0 BGADHN Cc1ccc2cc([C@@H](C)N[C@@H](C)CCO)oc2c1 ZINC000426025701 387536827 /nfs/dbraw/zinc/53/68/27/387536827.db2.gz WFGAGHCYJWWFOM-NWDGAFQWSA-N 0 3 247.338 3.163 20 0 BGADHN Cc1ccc2cc([C@H](C)N[C@@H](C)CCO)oc2c1 ZINC000426025702 387535991 /nfs/dbraw/zinc/53/59/91/387535991.db2.gz WFGAGHCYJWWFOM-RYUDHWBXSA-N 0 3 247.338 3.163 20 0 BGADHN Cc1ccc2cc([C@@H](C)N[C@H](C)CCO)oc2c1 ZINC000426025703 387537491 /nfs/dbraw/zinc/53/74/91/387537491.db2.gz WFGAGHCYJWWFOM-VXGBXAGGSA-N 0 3 247.338 3.163 20 0 BGADHN CO[C@H](C)CN[C@@H](C)c1cc2ccc(C)cc2o1 ZINC000426030870 387537528 /nfs/dbraw/zinc/53/75/28/387537528.db2.gz PVRHZTQNDJREBC-NEPJUHHUSA-N 0 3 247.338 3.427 20 0 BGADHN CO[C@@H](C)CN[C@H](C)c1cc2ccc(C)cc2o1 ZINC000426030871 387537122 /nfs/dbraw/zinc/53/71/22/387537122.db2.gz PVRHZTQNDJREBC-NWDGAFQWSA-N 0 3 247.338 3.427 20 0 BGADHN CO[C@@H](C)CN[C@@H](C)c1cc2ccc(C)cc2o1 ZINC000426030872 387537804 /nfs/dbraw/zinc/53/78/04/387537804.db2.gz PVRHZTQNDJREBC-RYUDHWBXSA-N 0 3 247.338 3.427 20 0 BGADHN CO[C@H](C)CN[C@H](C)c1cc2ccc(C)cc2o1 ZINC000426030873 387536837 /nfs/dbraw/zinc/53/68/37/387536837.db2.gz PVRHZTQNDJREBC-VXGBXAGGSA-N 0 3 247.338 3.427 20 0 BGADHN Cc1ccc2cc([C@H](C)N[C@H]3CCOC3)oc2c1 ZINC000426031807 387535801 /nfs/dbraw/zinc/53/58/01/387535801.db2.gz USZFJXFOYWLWFC-AAEUAGOBSA-N 0 3 245.322 3.181 20 0 BGADHN Cc1ccc2cc([C@@H](C)N[C@@H]3CCOC3)oc2c1 ZINC000426031808 387537470 /nfs/dbraw/zinc/53/74/70/387537470.db2.gz USZFJXFOYWLWFC-DGCLKSJQSA-N 0 3 245.322 3.181 20 0 BGADHN Cc1ccc2cc([C@H](C)N[C@@H]3CCOC3)oc2c1 ZINC000426031809 387536088 /nfs/dbraw/zinc/53/60/88/387536088.db2.gz USZFJXFOYWLWFC-WCQYABFASA-N 0 3 245.322 3.181 20 0 BGADHN Cc1ccc2cc([C@@H](C)N[C@H]3CCOC3)oc2c1 ZINC000426031810 387536945 /nfs/dbraw/zinc/53/69/45/387536945.db2.gz USZFJXFOYWLWFC-YPMHNXCESA-N 0 3 245.322 3.181 20 0 BGADHN Cc1ccc2cc([C@H](C)NCC[C@@H](C)O)oc2c1 ZINC000426035703 200969045 /nfs/dbraw/zinc/96/90/45/200969045.db2.gz NLHJDTKUMPJZFF-NEPJUHHUSA-N 0 3 247.338 3.163 20 0 BGADHN Cc1ccc2cc([C@@H](C)NCC[C@H](C)O)oc2c1 ZINC000426035704 387537616 /nfs/dbraw/zinc/53/76/16/387537616.db2.gz NLHJDTKUMPJZFF-NWDGAFQWSA-N 0 3 247.338 3.163 20 0 BGADHN Cc1ccc2cc([C@H](C)NCC[C@H](C)O)oc2c1 ZINC000426035705 387536339 /nfs/dbraw/zinc/53/63/39/387536339.db2.gz NLHJDTKUMPJZFF-RYUDHWBXSA-N 0 3 247.338 3.163 20 0 BGADHN Cc1ccc2cc([C@@H](C)NCC[C@@H](C)O)oc2c1 ZINC000426035706 387536792 /nfs/dbraw/zinc/53/67/92/387536792.db2.gz NLHJDTKUMPJZFF-VXGBXAGGSA-N 0 3 247.338 3.163 20 0 BGADHN COC[C@@H](C)N[C@@H](C)c1cc2ccc(C)cc2o1 ZINC000426036951 191912388 /nfs/dbraw/zinc/91/23/88/191912388.db2.gz QFEPYUYKCXDNTE-NEPJUHHUSA-N 0 3 247.338 3.427 20 0 BGADHN COC[C@@H](C)N[C@H](C)c1cc2ccc(C)cc2o1 ZINC000426036952 386532424 /nfs/dbraw/zinc/53/24/24/386532424.db2.gz QFEPYUYKCXDNTE-VXGBXAGGSA-N 0 3 247.338 3.427 20 0 BGADHN Cc1ccc2cc([C@@H](C)NCC(C)(C)O)oc2c1 ZINC000426045942 386614052 /nfs/dbraw/zinc/61/40/52/386614052.db2.gz XDKLLXIFWXKNJH-LLVKDONJSA-N 0 3 247.338 3.163 20 0 BGADHN Cc1ccc2cc([C@H](C)NCC(C)(C)O)oc2c1 ZINC000426045944 191919727 /nfs/dbraw/zinc/91/97/27/191919727.db2.gz XDKLLXIFWXKNJH-NSHDSACASA-N 0 3 247.338 3.163 20 0 BGADHN CC[C@@H](CO)N[C@@H](C)c1cc2ccc(C)cc2o1 ZINC000426068976 386647136 /nfs/dbraw/zinc/64/71/36/386647136.db2.gz FRSQZUOQYXEFNT-AAEUAGOBSA-N 0 3 247.338 3.163 20 0 BGADHN CC[C@@H](CO)N[C@H](C)c1cc2ccc(C)cc2o1 ZINC000426068977 386648987 /nfs/dbraw/zinc/64/89/87/386648987.db2.gz FRSQZUOQYXEFNT-YPMHNXCESA-N 0 3 247.338 3.163 20 0 BGADHN COCC(C)(C)CN(Cc1ccco1)C(C)C ZINC000426074997 323182524 /nfs/dbraw/zinc/18/25/24/323182524.db2.gz WDGYNDXWUUVCDN-UHFFFAOYSA-N 0 3 239.359 3.163 20 0 BGADHN C[C@H]1CN(C/C=C/c2ccncc2)CC(C)(C)C1 ZINC000426145029 387542821 /nfs/dbraw/zinc/54/28/21/387542821.db2.gz HUJHWDMOEYGVLO-ISZGNANSSA-N 0 3 244.382 3.463 20 0 BGADHN C[C@@H]1CN(C/C=C/c2ccncc2)CC(C)(C)C1 ZINC000426145037 387542774 /nfs/dbraw/zinc/54/27/74/387542774.db2.gz HUJHWDMOEYGVLO-NNTXTVRGSA-N 0 3 244.382 3.463 20 0 BGADHN C[C@@H]1CN(C/C=C\c2ccncc2)CC(C)(C)C1 ZINC000426145039 387542563 /nfs/dbraw/zinc/54/25/63/387542563.db2.gz HUJHWDMOEYGVLO-WSNITJDQSA-N 0 3 244.382 3.463 20 0 BGADHN C[C@H]1CN(C/C=C\c2ccncc2)CC(C)(C)C1 ZINC000426145040 387541506 /nfs/dbraw/zinc/54/15/06/387541506.db2.gz HUJHWDMOEYGVLO-ZRUQZJFASA-N 0 3 244.382 3.463 20 0 BGADHN C[C@@H]1CCN(C/C=C/c2ccncc2)CC1(C)C ZINC000426170284 387547007 /nfs/dbraw/zinc/54/70/07/387547007.db2.gz OALUSVTWOBMTDL-ISZGNANSSA-N 0 3 244.382 3.463 20 0 BGADHN C[C@H]1CCN(C/C=C/c2ccncc2)CC1(C)C ZINC000426170285 387546632 /nfs/dbraw/zinc/54/66/32/387546632.db2.gz OALUSVTWOBMTDL-NNTXTVRGSA-N 0 3 244.382 3.463 20 0 BGADHN C[C@H]1CCN(C/C=C\c2ccncc2)CC1(C)C ZINC000426170286 387546832 /nfs/dbraw/zinc/54/68/32/387546832.db2.gz OALUSVTWOBMTDL-WSNITJDQSA-N 0 3 244.382 3.463 20 0 BGADHN C[C@@H]1CCN(C/C=C\c2ccncc2)CC1(C)C ZINC000426170287 387547258 /nfs/dbraw/zinc/54/72/58/387547258.db2.gz OALUSVTWOBMTDL-ZRUQZJFASA-N 0 3 244.382 3.463 20 0 BGADHN CCCc1nc(C)c(CNC2CC(C)(C)C2)o1 ZINC000426291196 387553926 /nfs/dbraw/zinc/55/39/26/387553926.db2.gz BNZFPVSMLOTMAP-UHFFFAOYSA-N 0 3 236.359 3.214 20 0 BGADHN CCCc1nc(C)c(CN[C@H](CC)C(C)C)o1 ZINC000426298872 387554712 /nfs/dbraw/zinc/55/47/12/387554712.db2.gz QERXTCVCCUAIOV-GFCCVEGCSA-N 0 3 238.375 3.460 20 0 BGADHN CCCc1nc(C)c(CN[C@@H](CC)C(C)C)o1 ZINC000426298873 387554634 /nfs/dbraw/zinc/55/46/34/387554634.db2.gz QERXTCVCCUAIOV-LBPRGKRZSA-N 0 3 238.375 3.460 20 0 BGADHN CCCc1nc(C)c(CN[C@@H](C)C2CCC2)o1 ZINC000426300744 387555171 /nfs/dbraw/zinc/55/51/71/387555171.db2.gz IXHZTMHSDPBVNE-JTQLQIEISA-N 0 3 236.359 3.214 20 0 BGADHN CCCc1nc(C)c(CN[C@H](C)C2CCC2)o1 ZINC000426300745 387555031 /nfs/dbraw/zinc/55/50/31/387555031.db2.gz IXHZTMHSDPBVNE-SNVBAGLBSA-N 0 3 236.359 3.214 20 0 BGADHN CCc1nc(C)c(CN[C@@H]2CC[C@@H]2C2CCC2)o1 ZINC000426321029 387555808 /nfs/dbraw/zinc/55/58/08/387555808.db2.gz AXYXRFFFOPIGOG-CHWSQXEVSA-N 0 3 248.370 3.214 20 0 BGADHN CCc1nc(C)c(CN[C@H]2CC[C@@H]2C2CCC2)o1 ZINC000426321030 387557167 /nfs/dbraw/zinc/55/71/67/387557167.db2.gz AXYXRFFFOPIGOG-OLZOCXBDSA-N 0 3 248.370 3.214 20 0 BGADHN CCc1nc(C)c(CN[C@@H]2CC[C@H]2C2CCC2)o1 ZINC000426321031 387555760 /nfs/dbraw/zinc/55/57/60/387555760.db2.gz AXYXRFFFOPIGOG-QWHCGFSZSA-N 0 3 248.370 3.214 20 0 BGADHN CCc1nc(C)c(CN[C@H]2CC[C@H]2C2CCC2)o1 ZINC000426321032 200979948 /nfs/dbraw/zinc/97/99/48/200979948.db2.gz AXYXRFFFOPIGOG-STQMWFEESA-N 0 3 248.370 3.214 20 0 BGADHN CCc1nc(C)c(CN[C@H]2CC[C@@H]2C(C)C)o1 ZINC000426321721 388709982 /nfs/dbraw/zinc/70/99/82/388709982.db2.gz FHRVPHDFJVYYMG-NEPJUHHUSA-N 0 3 236.359 3.070 20 0 BGADHN CCc1nc(C)c(CN[C@@H]2CC[C@H]2C(C)C)o1 ZINC000426321722 388709449 /nfs/dbraw/zinc/70/94/49/388709449.db2.gz FHRVPHDFJVYYMG-NWDGAFQWSA-N 0 3 236.359 3.070 20 0 BGADHN CCc1nc(C)c(CN[C@H]2CC[C@H]2C(C)C)o1 ZINC000426321723 386074740 /nfs/dbraw/zinc/07/47/40/386074740.db2.gz FHRVPHDFJVYYMG-RYUDHWBXSA-N 0 3 236.359 3.070 20 0 BGADHN CCc1nc(C)c(CN[C@@H]2CC[C@@H]2C(C)C)o1 ZINC000426321724 386076151 /nfs/dbraw/zinc/07/61/51/386076151.db2.gz FHRVPHDFJVYYMG-VXGBXAGGSA-N 0 3 236.359 3.070 20 0 BGADHN CCc1nc(C)c(CN[C@@H]2CCC23CCCC3)o1 ZINC000426323622 387556068 /nfs/dbraw/zinc/55/60/68/387556068.db2.gz NQWANUWXYFEJNI-CYBMUJFWSA-N 0 3 248.370 3.358 20 0 BGADHN CCc1nc(C)c(CN[C@H]2CCC23CCCC3)o1 ZINC000426323623 387556761 /nfs/dbraw/zinc/55/67/61/387556761.db2.gz NQWANUWXYFEJNI-ZDUSSCGKSA-N 0 3 248.370 3.358 20 0 BGADHN CCc1nc(C)c(CN[C@@H]2CCC[C@@H]3C[C@@]32C)o1 ZINC000426325387 387556024 /nfs/dbraw/zinc/55/60/24/387556024.db2.gz UTOYVXNZBFGGBI-KYOSRNDESA-N 0 3 248.370 3.214 20 0 BGADHN CCc1nc(C)c(CN[C@@H]2CCC[C@H]3C[C@]32C)o1 ZINC000426325389 387556994 /nfs/dbraw/zinc/55/69/94/387556994.db2.gz UTOYVXNZBFGGBI-NJZAAPMLSA-N 0 3 248.370 3.214 20 0 BGADHN CCc1nc(C)c(CN[C@@H]2CCC[C@@H]2C2CC2)o1 ZINC000426329131 387555869 /nfs/dbraw/zinc/55/58/69/387555869.db2.gz GDMHATILLAQJJC-CHWSQXEVSA-N 0 3 248.370 3.214 20 0 BGADHN CCc1nc(C)c(CN[C@H]2CCC[C@@H]2C2CC2)o1 ZINC000426329132 387556720 /nfs/dbraw/zinc/55/67/20/387556720.db2.gz GDMHATILLAQJJC-OLZOCXBDSA-N 0 3 248.370 3.214 20 0 BGADHN CCc1nc(C)c(CN[C@@H]2CCC[C@H]2C2CC2)o1 ZINC000426329133 387556178 /nfs/dbraw/zinc/55/61/78/387556178.db2.gz GDMHATILLAQJJC-QWHCGFSZSA-N 0 3 248.370 3.214 20 0 BGADHN CCc1nc(C)c(CN[C@H]2CCC[C@H]2C2CC2)o1 ZINC000426329134 387556727 /nfs/dbraw/zinc/55/67/27/387556727.db2.gz GDMHATILLAQJJC-STQMWFEESA-N 0 3 248.370 3.214 20 0 BGADHN CCc1nc(C)c(CN[C@@H](C)CCC2CC2)o1 ZINC000426329360 387555918 /nfs/dbraw/zinc/55/59/18/387555918.db2.gz HDNKBIYRQHEFAY-JTQLQIEISA-N 0 3 236.359 3.214 20 0 BGADHN CCc1nc(C)c(CN[C@H](C)CCC2CC2)o1 ZINC000426329361 387556644 /nfs/dbraw/zinc/55/66/44/387556644.db2.gz HDNKBIYRQHEFAY-SNVBAGLBSA-N 0 3 236.359 3.214 20 0 BGADHN CCCc1nc(C)c(CN[C@@H]2C[C@@H](C)[C@H]2C)o1 ZINC000426330001 387557255 /nfs/dbraw/zinc/55/72/55/387557255.db2.gz KFPXDXXUONUROM-CKYFFXLPSA-N 0 3 236.359 3.070 20 0 BGADHN CCCc1nc(C)c(CN[C@@H]2C[C@H](C)[C@H]2C)o1 ZINC000426330003 387556222 /nfs/dbraw/zinc/55/62/22/387556222.db2.gz KFPXDXXUONUROM-HOSYDEDBSA-N 0 3 236.359 3.070 20 0 BGADHN CCCc1nc(C)c(CN[C@@H]2C[C@H](C)[C@@H]2C)o1 ZINC000426330004 387557348 /nfs/dbraw/zinc/55/73/48/387557348.db2.gz KFPXDXXUONUROM-JBLDHEPKSA-N 0 3 236.359 3.070 20 0 BGADHN CCCc1nc(C)c(CN[C@@H]2C[C@@H](C)[C@@H]2C)o1 ZINC000426330006 387556442 /nfs/dbraw/zinc/55/64/42/387556442.db2.gz KFPXDXXUONUROM-JFGNBEQYSA-N 0 3 236.359 3.070 20 0 BGADHN CCCc1nc(C)c(CN[C@@H]2CC[C@@H]2C2CC2)o1 ZINC000426330664 398008291 /nfs/dbraw/zinc/00/82/91/398008291.db2.gz NMTSVBUFGQSJGW-CHWSQXEVSA-N 0 3 248.370 3.214 20 0 BGADHN CCCc1nc(C)c(CN[C@H]2CC[C@@H]2C2CC2)o1 ZINC000426330665 398008010 /nfs/dbraw/zinc/00/80/10/398008010.db2.gz NMTSVBUFGQSJGW-OLZOCXBDSA-N 0 3 248.370 3.214 20 0 BGADHN CCCc1nc(C)c(CN[C@@H]2CC[C@H]2C2CC2)o1 ZINC000426330666 398008028 /nfs/dbraw/zinc/00/80/28/398008028.db2.gz NMTSVBUFGQSJGW-QWHCGFSZSA-N 0 3 248.370 3.214 20 0 BGADHN CCCc1nc(C)c(CN[C@H]2CC[C@H]2C2CC2)o1 ZINC000426330667 398007856 /nfs/dbraw/zinc/00/78/56/398007856.db2.gz NMTSVBUFGQSJGW-STQMWFEESA-N 0 3 248.370 3.214 20 0 BGADHN CCCc1nc(C)c(CN[C@@H]2CCC2(C)C)o1 ZINC000426331766 387556487 /nfs/dbraw/zinc/55/64/87/387556487.db2.gz TZBJSPGMVOKYAQ-GFCCVEGCSA-N 0 3 236.359 3.214 20 0 BGADHN CCCc1nc(C)c(CN[C@H]2CCC2(C)C)o1 ZINC000426331767 387556842 /nfs/dbraw/zinc/55/68/42/387556842.db2.gz TZBJSPGMVOKYAQ-LBPRGKRZSA-N 0 3 236.359 3.214 20 0 BGADHN CCCc1nc(C)c(CN[C@@H]2CCC23CCC3)o1 ZINC000426335562 387557099 /nfs/dbraw/zinc/55/70/99/387557099.db2.gz FACBRJZRDNCNJF-CYBMUJFWSA-N 0 3 248.370 3.358 20 0 BGADHN CCCc1nc(C)c(CN[C@H]2CCC23CCC3)o1 ZINC000426335563 387556203 /nfs/dbraw/zinc/55/62/03/387556203.db2.gz FACBRJZRDNCNJF-ZDUSSCGKSA-N 0 3 248.370 3.358 20 0 BGADHN CCCc1nc(C)c(CN[C@H](C)[C@H](C)CC)o1 ZINC000426335756 387556780 /nfs/dbraw/zinc/55/67/80/387556780.db2.gz FVEJYNDFGWHPQH-GHMZBOCLSA-N 0 3 238.375 3.460 20 0 BGADHN CCCc1nc(C)c(CN[C@@H](C)[C@H](C)CC)o1 ZINC000426335757 387556880 /nfs/dbraw/zinc/55/68/80/387556880.db2.gz FVEJYNDFGWHPQH-MNOVXSKESA-N 0 3 238.375 3.460 20 0 BGADHN CCCc1nc(C)c(CN[C@@H](C)[C@@H](C)CC)o1 ZINC000426335758 387556904 /nfs/dbraw/zinc/55/69/04/387556904.db2.gz FVEJYNDFGWHPQH-QWRGUYRKSA-N 0 3 238.375 3.460 20 0 BGADHN CCCc1nc(C)c(CN[C@H](C)[C@@H](C)CC)o1 ZINC000426335759 387555731 /nfs/dbraw/zinc/55/57/31/387555731.db2.gz FVEJYNDFGWHPQH-WDEREUQCSA-N 0 3 238.375 3.460 20 0 BGADHN CCCc1nc(C)c(CN[C@H](C)C(C)(C)C)o1 ZINC000426336168 387556359 /nfs/dbraw/zinc/55/63/59/387556359.db2.gz HHVFJBBIPQMISI-LLVKDONJSA-N 0 3 238.375 3.460 20 0 BGADHN CCCc1nc(C)c(CN[C@@H](C)C(C)(C)C)o1 ZINC000426336169 387557015 /nfs/dbraw/zinc/55/70/15/387557015.db2.gz HHVFJBBIPQMISI-NSHDSACASA-N 0 3 238.375 3.460 20 0 BGADHN CCCc1nc(C)c(CN[C@H]2CC[C@H]2CC)o1 ZINC000426337222 387556247 /nfs/dbraw/zinc/55/62/47/387556247.db2.gz LECYABCUOVVCLI-NEPJUHHUSA-N 0 3 236.359 3.214 20 0 BGADHN CCCc1nc(C)c(CN[C@@H]2CC[C@@H]2CC)o1 ZINC000426337223 387556329 /nfs/dbraw/zinc/55/63/29/387556329.db2.gz LECYABCUOVVCLI-NWDGAFQWSA-N 0 3 236.359 3.214 20 0 BGADHN CCCc1nc(C)c(CN[C@H]2CC[C@@H]2CC)o1 ZINC000426337224 387556309 /nfs/dbraw/zinc/55/63/09/387556309.db2.gz LECYABCUOVVCLI-RYUDHWBXSA-N 0 3 236.359 3.214 20 0 BGADHN CCCc1nc(C)c(CN[C@@H]2CC[C@H]2CC)o1 ZINC000426337225 387555936 /nfs/dbraw/zinc/55/59/36/387555936.db2.gz LECYABCUOVVCLI-VXGBXAGGSA-N 0 3 236.359 3.214 20 0 BGADHN CCCc1nc(C)c(CNC2CC(CC)C2)o1 ZINC000426337607 387557339 /nfs/dbraw/zinc/55/73/39/387557339.db2.gz NGHBQVJDDHQUQZ-UHFFFAOYSA-N 0 3 236.359 3.214 20 0 BGADHN CCCc1nc(C)c(CN[C@H](C)C2(C)CC2)o1 ZINC000426343932 387555693 /nfs/dbraw/zinc/55/56/93/387555693.db2.gz RTGOCILAQXVEGT-LLVKDONJSA-N 0 3 236.359 3.214 20 0 BGADHN CCCc1nc(C)c(CN[C@@H](C)C2(C)CC2)o1 ZINC000426343933 387557325 /nfs/dbraw/zinc/55/73/25/387557325.db2.gz RTGOCILAQXVEGT-NSHDSACASA-N 0 3 236.359 3.214 20 0 BGADHN CCCc1nc(C)c(CN[C@@H](C)CC2CC2)o1 ZINC000426348676 387559103 /nfs/dbraw/zinc/55/91/03/387559103.db2.gz RTGGHRBMPQUKIA-JTQLQIEISA-N 0 3 236.359 3.214 20 0 BGADHN CCCc1nc(C)c(CN[C@H](C)CC2CC2)o1 ZINC000426348677 387559133 /nfs/dbraw/zinc/55/91/33/387559133.db2.gz RTGGHRBMPQUKIA-SNVBAGLBSA-N 0 3 236.359 3.214 20 0 BGADHN CCCc1nc(C)c(CN[C@H](CC)C2CC2)o1 ZINC000426351999 387558024 /nfs/dbraw/zinc/55/80/24/387558024.db2.gz NUSZIVHPIVGIJZ-GFCCVEGCSA-N 0 3 236.359 3.214 20 0 BGADHN CCCc1nc(C)c(CN[C@@H](CC)C2CC2)o1 ZINC000426352000 387558826 /nfs/dbraw/zinc/55/88/26/387558826.db2.gz NUSZIVHPIVGIJZ-LBPRGKRZSA-N 0 3 236.359 3.214 20 0 BGADHN CCCc1csc(CN2CCC[C@H]2CC)n1 ZINC000426408546 387565061 /nfs/dbraw/zinc/56/50/61/387565061.db2.gz DJIVSUGNYGAZQY-GFCCVEGCSA-N 0 3 238.400 3.470 20 0 BGADHN CCCc1csc(CN2CCC[C@@H]2CC)n1 ZINC000426408547 387564300 /nfs/dbraw/zinc/56/43/00/387564300.db2.gz DJIVSUGNYGAZQY-LBPRGKRZSA-N 0 3 238.400 3.470 20 0 BGADHN CCCc1csc(CN2C[C@H](C)C[C@H]2C)n1 ZINC000426417263 206047908 /nfs/dbraw/zinc/04/79/08/206047908.db2.gz QPDDIXUWTIVPCC-GHMZBOCLSA-N 0 3 238.400 3.326 20 0 BGADHN CCCc1csc(CN2C[C@H](C)C[C@@H]2C)n1 ZINC000426417264 206047045 /nfs/dbraw/zinc/04/70/45/206047045.db2.gz QPDDIXUWTIVPCC-MNOVXSKESA-N 0 3 238.400 3.326 20 0 BGADHN CCCc1csc(CN2C[C@@H](C)C[C@@H]2C)n1 ZINC000426417265 206048554 /nfs/dbraw/zinc/04/85/54/206048554.db2.gz QPDDIXUWTIVPCC-QWRGUYRKSA-N 0 3 238.400 3.326 20 0 BGADHN CCCc1csc(CN2C[C@@H](C)C[C@H]2C)n1 ZINC000426417266 206049238 /nfs/dbraw/zinc/04/92/38/206049238.db2.gz QPDDIXUWTIVPCC-WDEREUQCSA-N 0 3 238.400 3.326 20 0 BGADHN CCCc1csc(CN2C[C@@H](C)[C@H](C)C2)n1 ZINC000426419826 206047274 /nfs/dbraw/zinc/04/72/74/206047274.db2.gz MVXPKILRGRZYPD-GHMZBOCLSA-N 0 3 238.400 3.183 20 0 BGADHN CCCc1csc(CN2C[C@H](C)[C@H](C)C2)n1 ZINC000426419827 206049513 /nfs/dbraw/zinc/04/95/13/206049513.db2.gz MVXPKILRGRZYPD-PHIMTYICSA-N 0 3 238.400 3.183 20 0 BGADHN CCCc1csc(CN2C[C@H](C)[C@@H](C)C2)n1 ZINC000426419828 206048768 /nfs/dbraw/zinc/04/87/68/206048768.db2.gz MVXPKILRGRZYPD-QWRGUYRKSA-N 0 3 238.400 3.183 20 0 BGADHN Cc1nc2ccc(CN3CC[C@H](C)C3)cc2s1 ZINC000426422625 206047452 /nfs/dbraw/zinc/04/74/52/206047452.db2.gz VUPFELYPUBUPDL-JTQLQIEISA-N 0 3 246.379 3.447 20 0 BGADHN Cc1nc2ccc(CN3CC[C@@H](C)C3)cc2s1 ZINC000426422626 206047861 /nfs/dbraw/zinc/04/78/61/206047861.db2.gz VUPFELYPUBUPDL-SNVBAGLBSA-N 0 3 246.379 3.447 20 0 BGADHN CCCc1csc(CN2CC[C@@H](C)[C@H]2C)n1 ZINC000426423023 206047953 /nfs/dbraw/zinc/04/79/53/206047953.db2.gz YPVNSNXNVKLPJH-GHMZBOCLSA-N 0 3 238.400 3.326 20 0 BGADHN CCCc1csc(CN2CC[C@@H](C)[C@@H]2C)n1 ZINC000426423024 206047199 /nfs/dbraw/zinc/04/71/99/206047199.db2.gz YPVNSNXNVKLPJH-MNOVXSKESA-N 0 3 238.400 3.326 20 0 BGADHN CCCc1csc(CN2CC[C@H](C)[C@@H]2C)n1 ZINC000426423025 206048914 /nfs/dbraw/zinc/04/89/14/206048914.db2.gz YPVNSNXNVKLPJH-QWRGUYRKSA-N 0 3 238.400 3.326 20 0 BGADHN CCCc1csc(CN2CC[C@H](C)[C@H]2C)n1 ZINC000426423026 206048234 /nfs/dbraw/zinc/04/82/34/206048234.db2.gz YPVNSNXNVKLPJH-WDEREUQCSA-N 0 3 238.400 3.326 20 0 BGADHN Fc1ccc(CN2CC[C@@H]3CCC[C@@H]32)c(F)c1 ZINC000426452884 387568413 /nfs/dbraw/zinc/56/84/13/387568413.db2.gz AKQMDMBOTQCOIU-HZMBPMFUSA-N 0 3 237.293 3.339 20 0 BGADHN Fc1ccc(CN2CC[C@@H]3CCC[C@H]32)c(F)c1 ZINC000426452885 387568833 /nfs/dbraw/zinc/56/88/33/387568833.db2.gz AKQMDMBOTQCOIU-IINYFYTJSA-N 0 3 237.293 3.339 20 0 BGADHN Fc1ccc(CN2CC[C@H]3CCC[C@H]32)c(F)c1 ZINC000426452886 387569339 /nfs/dbraw/zinc/56/93/39/387569339.db2.gz AKQMDMBOTQCOIU-QMTHXVAHSA-N 0 3 237.293 3.339 20 0 BGADHN Fc1ccc(CN2CC[C@H]3CCC[C@@H]32)c(F)c1 ZINC000426452887 200986298 /nfs/dbraw/zinc/98/62/98/200986298.db2.gz AKQMDMBOTQCOIU-YGRLFVJLSA-N 0 3 237.293 3.339 20 0 BGADHN c1ccc2oc(CN3CC[C@@H]4CCC[C@@H]43)nc2c1 ZINC000426457168 387569940 /nfs/dbraw/zinc/56/99/40/387569940.db2.gz XLKMGYNLWKAHGI-AAEUAGOBSA-N 0 3 242.322 3.202 20 0 BGADHN c1ccc2oc(CN3CC[C@H]4CCC[C@H]43)nc2c1 ZINC000426457169 387568971 /nfs/dbraw/zinc/56/89/71/387568971.db2.gz XLKMGYNLWKAHGI-DGCLKSJQSA-N 0 3 242.322 3.202 20 0 BGADHN c1ccc2oc(CN3CC[C@@H]4CCC[C@H]43)nc2c1 ZINC000426457170 387570028 /nfs/dbraw/zinc/57/00/28/387570028.db2.gz XLKMGYNLWKAHGI-WCQYABFASA-N 0 3 242.322 3.202 20 0 BGADHN c1ccc2oc(CN3CC[C@H]4CCC[C@@H]43)nc2c1 ZINC000426457171 387570165 /nfs/dbraw/zinc/57/01/65/387570165.db2.gz XLKMGYNLWKAHGI-YPMHNXCESA-N 0 3 242.322 3.202 20 0 BGADHN COc1ccc(CN2CC[C@@H]3CCC[C@H]32)cc1F ZINC000426464193 387571581 /nfs/dbraw/zinc/57/15/81/387571581.db2.gz YCKMQPDCDARRAH-GXTWGEPZSA-N 0 3 249.329 3.209 20 0 BGADHN COc1ccc(CN2CC[C@@H]3CCC[C@@H]32)cc1F ZINC000426464194 387571966 /nfs/dbraw/zinc/57/19/66/387571966.db2.gz YCKMQPDCDARRAH-JSGCOSHPSA-N 0 3 249.329 3.209 20 0 BGADHN COc1ccc(CN2CC[C@H]3CCC[C@@H]32)cc1F ZINC000426464195 387571467 /nfs/dbraw/zinc/57/14/67/387571467.db2.gz YCKMQPDCDARRAH-OCCSQVGLSA-N 0 3 249.329 3.209 20 0 BGADHN COc1ccc(CN2CC[C@H]3CCC[C@H]32)cc1F ZINC000426464196 387572590 /nfs/dbraw/zinc/57/25/90/387572590.db2.gz YCKMQPDCDARRAH-TZMCWYRMSA-N 0 3 249.329 3.209 20 0 BGADHN Fc1ccc(F)c(CN2CC[C@@H]3CCC[C@@H]32)c1 ZINC000426464342 387571349 /nfs/dbraw/zinc/57/13/49/387571349.db2.gz YFAXHBCMSKHNAR-HZMBPMFUSA-N 0 3 237.293 3.339 20 0 BGADHN Fc1ccc(F)c(CN2CC[C@@H]3CCC[C@H]32)c1 ZINC000426464343 387572343 /nfs/dbraw/zinc/57/23/43/387572343.db2.gz YFAXHBCMSKHNAR-IINYFYTJSA-N 0 3 237.293 3.339 20 0 BGADHN Fc1ccc(F)c(CN2CC[C@H]3CCC[C@H]32)c1 ZINC000426464344 387572240 /nfs/dbraw/zinc/57/22/40/387572240.db2.gz YFAXHBCMSKHNAR-QMTHXVAHSA-N 0 3 237.293 3.339 20 0 BGADHN Fc1ccc(F)c(CN2CC[C@H]3CCC[C@@H]32)c1 ZINC000426464345 387569397 /nfs/dbraw/zinc/56/93/97/387569397.db2.gz YFAXHBCMSKHNAR-YGRLFVJLSA-N 0 3 237.293 3.339 20 0 BGADHN Fc1cccc(CN2CC[C@@H]3CCC[C@@H]32)c1F ZINC000426474701 384831704 /nfs/dbraw/zinc/83/17/04/384831704.db2.gz JLYFWRXWVMCGQK-GWCFXTLKSA-N 0 3 237.293 3.339 20 0 BGADHN Fc1cccc(CN2CC[C@@H]3CCC[C@H]32)c1F ZINC000426474702 384829908 /nfs/dbraw/zinc/82/99/08/384829908.db2.gz JLYFWRXWVMCGQK-GXFFZTMASA-N 0 3 237.293 3.339 20 0 BGADHN Fc1cccc(CN2CC[C@H]3CCC[C@@H]32)c1F ZINC000426474703 384829865 /nfs/dbraw/zinc/82/98/65/384829865.db2.gz JLYFWRXWVMCGQK-MFKMUULPSA-N 0 3 237.293 3.339 20 0 BGADHN Fc1cccc(CN2CC[C@H]3CCC[C@H]32)c1F ZINC000426474704 384829611 /nfs/dbraw/zinc/82/96/11/384829611.db2.gz JLYFWRXWVMCGQK-ZWNOBZJWSA-N 0 3 237.293 3.339 20 0 BGADHN Cc1cccc(CN(C)CCCC(C)C)n1 ZINC000426477049 384830430 /nfs/dbraw/zinc/83/04/30/384830430.db2.gz ZCXKEXLAPZWNGU-UHFFFAOYSA-N 0 3 220.360 3.258 20 0 BGADHN CC(C)CCCN(C)CCC(F)(F)F ZINC000426478191 387574421 /nfs/dbraw/zinc/57/44/21/387574421.db2.gz ABQRRYBUGDJUIY-UHFFFAOYSA-N 0 3 211.271 3.307 20 0 BGADHN Fc1cccc(F)c1CN1CC[C@@H]2CCC[C@@H]21 ZINC000426482160 387573605 /nfs/dbraw/zinc/57/36/05/387573605.db2.gz DEBLATRCSGTLLP-HZMBPMFUSA-N 0 3 237.293 3.339 20 0 BGADHN Fc1cccc(F)c1CN1CC[C@@H]2CCC[C@H]21 ZINC000426482161 387574060 /nfs/dbraw/zinc/57/40/60/387574060.db2.gz DEBLATRCSGTLLP-IINYFYTJSA-N 0 3 237.293 3.339 20 0 BGADHN Fc1cccc(F)c1CN1CC[C@H]2CCC[C@H]21 ZINC000426482162 387575113 /nfs/dbraw/zinc/57/51/13/387575113.db2.gz DEBLATRCSGTLLP-QMTHXVAHSA-N 0 3 237.293 3.339 20 0 BGADHN Fc1cccc(F)c1CN1CC[C@H]2CCC[C@@H]21 ZINC000426482163 387574793 /nfs/dbraw/zinc/57/47/93/387574793.db2.gz DEBLATRCSGTLLP-YGRLFVJLSA-N 0 3 237.293 3.339 20 0 BGADHN Fc1ccc(CN2CC[C@H]3CCC[C@H]32)cc1F ZINC000426484134 387573249 /nfs/dbraw/zinc/57/32/49/387573249.db2.gz KZYYJVWZSNYIMG-BXUZGUMPSA-N 0 3 237.293 3.339 20 0 BGADHN Fc1ccc(CN2CC[C@@H]3CCC[C@@H]32)cc1F ZINC000426484136 387573945 /nfs/dbraw/zinc/57/39/45/387573945.db2.gz KZYYJVWZSNYIMG-FZMZJTMJSA-N 0 3 237.293 3.339 20 0 BGADHN Fc1ccc(CN2CC[C@H]3CCC[C@@H]32)cc1F ZINC000426484138 387574831 /nfs/dbraw/zinc/57/48/31/387574831.db2.gz KZYYJVWZSNYIMG-RISCZKNCSA-N 0 3 237.293 3.339 20 0 BGADHN Fc1ccc(CN2CC[C@@H]3CCC[C@H]32)cc1F ZINC000426484140 387575199 /nfs/dbraw/zinc/57/51/99/387575199.db2.gz KZYYJVWZSNYIMG-SMDDNHRTSA-N 0 3 237.293 3.339 20 0 BGADHN COc1c(O)cccc1CN(C)C1(C)CCCC1 ZINC000426502092 200990508 /nfs/dbraw/zinc/99/05/08/200990508.db2.gz XLXKDVXLWAXSLW-UHFFFAOYSA-N 0 3 249.354 3.165 20 0 BGADHN CCc1ncc(CN(C)C2(C)CCCC2)s1 ZINC000426509004 387576595 /nfs/dbraw/zinc/57/65/95/387576595.db2.gz KQDSJJNYNVPKKV-UHFFFAOYSA-N 0 3 238.400 3.470 20 0 BGADHN CCc1cnc(CN(C)C2(C)CCCC2)s1 ZINC000426509977 387575792 /nfs/dbraw/zinc/57/57/92/387575792.db2.gz NQWHQWLCRAXBLB-UHFFFAOYSA-N 0 3 238.400 3.470 20 0 BGADHN C[N@@H+](Cc1cccc([O-])c1)C1(C)CCCC1 ZINC000426513615 387578347 /nfs/dbraw/zinc/57/83/47/387578347.db2.gz JVKZTFLNMZQXJE-UHFFFAOYSA-N 0 3 219.328 3.157 20 0 BGADHN C[N@H+](Cc1cccc([O-])c1)C1(C)CCCC1 ZINC000426513615 387578345 /nfs/dbraw/zinc/57/83/45/387578345.db2.gz JVKZTFLNMZQXJE-UHFFFAOYSA-N 0 3 219.328 3.157 20 0 BGADHN C[N@@H+](Cc1cc([O-])cc(F)c1)C1(C)CCCC1 ZINC000426521111 191095483 /nfs/dbraw/zinc/09/54/83/191095483.db2.gz GMRQYEWCBQZDFE-UHFFFAOYSA-N 0 3 237.318 3.296 20 0 BGADHN C[N@H+](Cc1cc([O-])cc(F)c1)C1(C)CCCC1 ZINC000426521111 191095480 /nfs/dbraw/zinc/09/54/80/191095480.db2.gz GMRQYEWCBQZDFE-UHFFFAOYSA-N 0 3 237.318 3.296 20 0 BGADHN CN(Cc1ccn(C(F)F)n1)C1(C)CCCC1 ZINC000426537295 191096233 /nfs/dbraw/zinc/09/62/33/191096233.db2.gz HSVIPCYZZWWESG-UHFFFAOYSA-N 0 3 243.301 3.043 20 0 BGADHN Cc1cc(CN(C)[C@@H]2CC2(C)C)ccc1F ZINC000426545298 387581184 /nfs/dbraw/zinc/58/11/84/387581184.db2.gz PHLXWUZUDCXEFN-CYBMUJFWSA-N 0 3 221.319 3.364 20 0 BGADHN Cc1cc(CN(C)[C@H]2CC2(C)C)ccc1F ZINC000426545299 387580879 /nfs/dbraw/zinc/58/08/79/387580879.db2.gz PHLXWUZUDCXEFN-ZDUSSCGKSA-N 0 3 221.319 3.364 20 0 BGADHN Cc1ccsc1CN(C)[C@@H]1CC1(C)C ZINC000426547267 387580805 /nfs/dbraw/zinc/58/08/05/387580805.db2.gz ZMYJBFSBKRDGBJ-LLVKDONJSA-N 0 3 209.358 3.287 20 0 BGADHN Cc1ccsc1CN(C)[C@H]1CC1(C)C ZINC000426547270 387580024 /nfs/dbraw/zinc/58/00/24/387580024.db2.gz ZMYJBFSBKRDGBJ-NSHDSACASA-N 0 3 209.358 3.287 20 0 BGADHN CCc1ccc(CN(C)[C@@H]2CC2(C)C)o1 ZINC000426551856 206051974 /nfs/dbraw/zinc/05/19/74/206051974.db2.gz IBMZUSXCSWALCD-GFCCVEGCSA-N 0 3 207.317 3.072 20 0 BGADHN CCc1ccc(CN(C)[C@H]2CC2(C)C)o1 ZINC000426551857 206050214 /nfs/dbraw/zinc/05/02/14/206050214.db2.gz IBMZUSXCSWALCD-LBPRGKRZSA-N 0 3 207.317 3.072 20 0 BGADHN COc1cc(CN(C)[C@H]2CC2(C)C)ccc1C ZINC000426553732 191096553 /nfs/dbraw/zinc/09/65/53/191096553.db2.gz RAQASEIEMZEYGW-AWEZNQCLSA-N 0 3 233.355 3.234 20 0 BGADHN COc1cc(CN(C)[C@@H]2CC2(C)C)ccc1C ZINC000426553733 191097077 /nfs/dbraw/zinc/09/70/77/191097077.db2.gz RAQASEIEMZEYGW-CQSZACIVSA-N 0 3 233.355 3.234 20 0 BGADHN CN(CC1=Cc2ccccc2OC1)[C@H]1CC1(C)C ZINC000426555316 191096941 /nfs/dbraw/zinc/09/69/41/191096941.db2.gz ZUPNJPSUOUZGCM-HNNXBMFYSA-N 0 3 243.350 3.193 20 0 BGADHN CN(CC1=Cc2ccccc2OC1)[C@@H]1CC1(C)C ZINC000426555317 191097547 /nfs/dbraw/zinc/09/75/47/191097547.db2.gz ZUPNJPSUOUZGCM-OAHLLOKOSA-N 0 3 243.350 3.193 20 0 BGADHN Cc1ccc(CN(C)[C@@H]2CC2(C)C)s1 ZINC000426555587 206052473 /nfs/dbraw/zinc/05/24/73/206052473.db2.gz AIDPQLIBQODZOO-LLVKDONJSA-N 0 3 209.358 3.287 20 0 BGADHN Cc1ccc(CN(C)[C@H]2CC2(C)C)s1 ZINC000426555588 206052525 /nfs/dbraw/zinc/05/25/25/206052525.db2.gz AIDPQLIBQODZOO-NSHDSACASA-N 0 3 209.358 3.287 20 0 BGADHN CCOc1cccc(CN(C)[C@H]2CC2(C)C)c1 ZINC000426560202 387580245 /nfs/dbraw/zinc/58/02/45/387580245.db2.gz OYOUWSUGHDKLDH-AWEZNQCLSA-N 0 3 233.355 3.316 20 0 BGADHN CCOc1cccc(CN(C)[C@@H]2CC2(C)C)c1 ZINC000426560203 387579874 /nfs/dbraw/zinc/57/98/74/387579874.db2.gz OYOUWSUGHDKLDH-CQSZACIVSA-N 0 3 233.355 3.316 20 0 BGADHN COc1ccc(CN(C)[C@H]2CC2(C)C)cc1C ZINC000426560294 206052032 /nfs/dbraw/zinc/05/20/32/206052032.db2.gz KUCDGSSHADZABH-AWEZNQCLSA-N 0 3 233.355 3.234 20 0 BGADHN COc1ccc(CN(C)[C@@H]2CC2(C)C)cc1C ZINC000426560295 206053186 /nfs/dbraw/zinc/05/31/86/206053186.db2.gz KUCDGSSHADZABH-CQSZACIVSA-N 0 3 233.355 3.234 20 0 BGADHN Cc1ccc(CN(C)[C@@H]2CC2(C)C)cc1F ZINC000426560520 206050198 /nfs/dbraw/zinc/05/01/98/206050198.db2.gz LHSWOLUEUAILCK-CYBMUJFWSA-N 0 3 221.319 3.364 20 0 BGADHN Cc1ccc(CN(C)[C@H]2CC2(C)C)cc1F ZINC000426560522 206051108 /nfs/dbraw/zinc/05/11/08/206051108.db2.gz LHSWOLUEUAILCK-ZDUSSCGKSA-N 0 3 221.319 3.364 20 0 BGADHN CCCn1nc(C)c(CN(C)[C@H]2CC2(C)C)c1C ZINC000426561335 206052091 /nfs/dbraw/zinc/05/20/91/206052091.db2.gz VFXSXXICMMMQBV-AWEZNQCLSA-N 0 3 249.402 3.140 20 0 BGADHN CCCn1nc(C)c(CN(C)[C@@H]2CC2(C)C)c1C ZINC000426561336 206051459 /nfs/dbraw/zinc/05/14/59/206051459.db2.gz VFXSXXICMMMQBV-CQSZACIVSA-N 0 3 249.402 3.140 20 0 BGADHN COc1ccccc1/C=C/CN(C)[C@H]1CC1(C)C ZINC000426578747 206051507 /nfs/dbraw/zinc/05/15/07/206051507.db2.gz IXLCAICHGDTHNA-HEWZJLJBSA-N 0 3 245.366 3.439 20 0 BGADHN COc1ccccc1/C=C/CN(C)[C@@H]1CC1(C)C ZINC000426578748 206050586 /nfs/dbraw/zinc/05/05/86/206050586.db2.gz IXLCAICHGDTHNA-LOWQCSRCSA-N 0 3 245.366 3.439 20 0 BGADHN COc1ccccc1/C=C\CN(C)[C@@H]1CC1(C)C ZINC000426578751 206050271 /nfs/dbraw/zinc/05/02/71/206050271.db2.gz IXLCAICHGDTHNA-SOIVGHGOSA-N 0 3 245.366 3.439 20 0 BGADHN COc1ccccc1/C=C\CN(C)[C@H]1CC1(C)C ZINC000426578753 206050704 /nfs/dbraw/zinc/05/07/04/206050704.db2.gz IXLCAICHGDTHNA-VIHMKRCTSA-N 0 3 245.366 3.439 20 0 BGADHN Cc1cnc(CN2CCC(C)(C(C)C)CC2)cn1 ZINC000426764295 411282286 /nfs/dbraw/zinc/28/22/86/411282286.db2.gz WMOFWBRIGXNWMB-UHFFFAOYSA-N 0 3 247.386 3.043 20 0 BGADHN CN(c1ccnc2ccccc21)C1CCC1 ZINC000427373982 191060650 /nfs/dbraw/zinc/06/06/50/191060650.db2.gz FQGJZIICXVZTNK-UHFFFAOYSA-N 0 3 212.296 3.224 20 0 BGADHN CC[C@H](N[C@@H](C)c1cnc(C)cn1)C(C)(C)C ZINC000427442981 191074656 /nfs/dbraw/zinc/07/46/56/191074656.db2.gz JIACXIUOKKDXDU-AAEUAGOBSA-N 0 3 235.375 3.260 20 0 BGADHN CC[C@@H](N[C@H](C)c1cnc(C)cn1)C(C)(C)C ZINC000427442982 191075023 /nfs/dbraw/zinc/07/50/23/191075023.db2.gz JIACXIUOKKDXDU-DGCLKSJQSA-N 0 3 235.375 3.260 20 0 BGADHN CC[C@@H](N[C@@H](C)c1cnc(C)cn1)C(C)(C)C ZINC000427442983 191074977 /nfs/dbraw/zinc/07/49/77/191074977.db2.gz JIACXIUOKKDXDU-WCQYABFASA-N 0 3 235.375 3.260 20 0 BGADHN CC[C@H](N[C@H](C)c1cnc(C)cn1)C(C)(C)C ZINC000427442984 191075036 /nfs/dbraw/zinc/07/50/36/191075036.db2.gz JIACXIUOKKDXDU-YPMHNXCESA-N 0 3 235.375 3.260 20 0 BGADHN Cc1cnc([C@H](C)N[C@H](C)C2CCCC2)cn1 ZINC000427447580 191075375 /nfs/dbraw/zinc/07/53/75/191075375.db2.gz YPGSCJCOJZFCSD-NEPJUHHUSA-N 0 3 233.359 3.014 20 0 BGADHN Cc1cnc([C@@H](C)N[C@@H](C)C2CCCC2)cn1 ZINC000427447581 191075336 /nfs/dbraw/zinc/07/53/36/191075336.db2.gz YPGSCJCOJZFCSD-NWDGAFQWSA-N 0 3 233.359 3.014 20 0 BGADHN Cc1cnc([C@H](C)N[C@@H](C)C2CCCC2)cn1 ZINC000427447582 191075300 /nfs/dbraw/zinc/07/53/00/191075300.db2.gz YPGSCJCOJZFCSD-RYUDHWBXSA-N 0 3 233.359 3.014 20 0 BGADHN Cc1cnc([C@@H](C)N[C@H](C)C2CCCC2)cn1 ZINC000427447583 191074779 /nfs/dbraw/zinc/07/47/79/191074779.db2.gz YPGSCJCOJZFCSD-VXGBXAGGSA-N 0 3 233.359 3.014 20 0 BGADHN Cc1cccc(C)c1OCCN1CCC12CCC2 ZINC000427681111 191087147 /nfs/dbraw/zinc/08/71/47/191087147.db2.gz WCWMYGMHVIJOEV-UHFFFAOYSA-N 0 3 245.366 3.311 20 0 BGADHN Cc1cnc([C@@H](C)N[C@H](C)C2CCCCC2)cn1 ZINC000427826302 191092927 /nfs/dbraw/zinc/09/29/27/191092927.db2.gz NOMGSWSZVHHGBH-CHWSQXEVSA-N 0 3 247.386 3.404 20 0 BGADHN Cc1cnc([C@H](C)N[C@H](C)C2CCCCC2)cn1 ZINC000427826311 191093209 /nfs/dbraw/zinc/09/32/09/191093209.db2.gz NOMGSWSZVHHGBH-OLZOCXBDSA-N 0 3 247.386 3.404 20 0 BGADHN Cc1cnc([C@@H](C)N[C@@H](C)C2CCCCC2)cn1 ZINC000427826314 191092828 /nfs/dbraw/zinc/09/28/28/191092828.db2.gz NOMGSWSZVHHGBH-QWHCGFSZSA-N 0 3 247.386 3.404 20 0 BGADHN Cc1cnc([C@H](C)N[C@@H](C)C2CCCCC2)cn1 ZINC000427826315 191092987 /nfs/dbraw/zinc/09/29/87/191092987.db2.gz NOMGSWSZVHHGBH-STQMWFEESA-N 0 3 247.386 3.404 20 0 BGADHN Cc1cnc([C@H](C)N[C@H]2CCCC[C@@H]2C)cn1 ZINC000427831073 323010381 /nfs/dbraw/zinc/01/03/81/323010381.db2.gz PNFQUWWDRHVFHS-DRZSPHRISA-N 0 3 233.359 3.014 20 0 BGADHN Cc1cnc([C@H](C)N[C@@H]2CCCC[C@H]2C)cn1 ZINC000427831075 323010441 /nfs/dbraw/zinc/01/04/41/323010441.db2.gz PNFQUWWDRHVFHS-KGYLQXTDSA-N 0 3 233.359 3.014 20 0 BGADHN Cc1cnc([C@H](C)N[C@@H]2CCCC[C@@H]2C)cn1 ZINC000427831076 323010470 /nfs/dbraw/zinc/01/04/70/323010470.db2.gz PNFQUWWDRHVFHS-WCFLWFBJSA-N 0 3 233.359 3.014 20 0 BGADHN Cc1cnc([C@H](C)N[C@H]2CCCC[C@H]2C)cn1 ZINC000427831077 323010408 /nfs/dbraw/zinc/01/04/08/323010408.db2.gz PNFQUWWDRHVFHS-WXHSDQCUSA-N 0 3 233.359 3.014 20 0 BGADHN Cc1cnc([C@H](C)N[C@@H]2CCC[C@H](C)[C@H]2C)cn1 ZINC000427839756 191095063 /nfs/dbraw/zinc/09/50/63/191095063.db2.gz VAELHDZCNWVQRI-AHLTXXRQSA-N 0 3 247.386 3.260 20 0 BGADHN Cc1cnc([C@H](C)N[C@@H]2CCC[C@H](C)[C@@H]2C)cn1 ZINC000427839765 191094530 /nfs/dbraw/zinc/09/45/30/191094530.db2.gz VAELHDZCNWVQRI-DOERSZECSA-N 0 3 247.386 3.260 20 0 BGADHN Cc1cnc([C@H](C)N[C@@H]2CCC[C@@H](C)[C@H]2C)cn1 ZINC000427839767 191094894 /nfs/dbraw/zinc/09/48/94/191094894.db2.gz VAELHDZCNWVQRI-RUZUBIRVSA-N 0 3 247.386 3.260 20 0 BGADHN Cc1cnc([C@H](C)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cn1 ZINC000427839769 191094248 /nfs/dbraw/zinc/09/42/48/191094248.db2.gz VAELHDZCNWVQRI-VZZFWQQMSA-N 0 3 247.386 3.260 20 0 BGADHN CCCc1nc(C)c(CN2CCCC2(C)C)o1 ZINC000428204430 201002708 /nfs/dbraw/zinc/00/27/08/201002708.db2.gz IPUAMZNCKUKBNG-UHFFFAOYSA-N 0 3 236.359 3.310 20 0 BGADHN CC[C@H]1CCCN([C@@H](C)c2cnc(C)cn2)CC1 ZINC000428207119 201001966 /nfs/dbraw/zinc/00/19/66/201001966.db2.gz ORYCSFBJKYYTOA-KBPBESRZSA-N 0 3 247.386 3.358 20 0 BGADHN CC[C@H]1CCCN([C@H](C)c2cnc(C)cn2)CC1 ZINC000428207128 201002094 /nfs/dbraw/zinc/00/20/94/201002094.db2.gz ORYCSFBJKYYTOA-KGLIPLIRSA-N 0 3 247.386 3.358 20 0 BGADHN CC[C@@H]1CCCN([C@@H](C)c2cnc(C)cn2)CC1 ZINC000428207130 201002623 /nfs/dbraw/zinc/00/26/23/201002623.db2.gz ORYCSFBJKYYTOA-UONOGXRCSA-N 0 3 247.386 3.358 20 0 BGADHN CC[C@@H]1CCCN([C@H](C)c2cnc(C)cn2)CC1 ZINC000428207131 201001721 /nfs/dbraw/zinc/00/17/21/201001721.db2.gz ORYCSFBJKYYTOA-ZIAGYGMSSA-N 0 3 247.386 3.358 20 0 BGADHN CCC1(C)CCN([C@H](C)c2cnc(C)cn2)CC1 ZINC000428208407 201001279 /nfs/dbraw/zinc/00/12/79/201001279.db2.gz QLGRQKXRXWJNRO-CYBMUJFWSA-N 0 3 247.386 3.358 20 0 BGADHN CCC1(C)CCN([C@@H](C)c2cnc(C)cn2)CC1 ZINC000428208411 201002655 /nfs/dbraw/zinc/00/26/55/201002655.db2.gz QLGRQKXRXWJNRO-ZDUSSCGKSA-N 0 3 247.386 3.358 20 0 BGADHN CCCc1nc(C)c(CN2CCC[C@H]2CC)o1 ZINC000428209932 201001664 /nfs/dbraw/zinc/00/16/64/201001664.db2.gz HJCUWUMAWXDXEC-GFCCVEGCSA-N 0 3 236.359 3.310 20 0 BGADHN CCCc1nc(C)c(CN2CCC[C@@H]2CC)o1 ZINC000428209934 201000612 /nfs/dbraw/zinc/00/06/12/201000612.db2.gz HJCUWUMAWXDXEC-LBPRGKRZSA-N 0 3 236.359 3.310 20 0 BGADHN CCc1nc(C)c(CN2CCC[C@@H](CC)C2)o1 ZINC000428210390 385211401 /nfs/dbraw/zinc/21/14/01/385211401.db2.gz VCQIDFLNJUZFCB-GFCCVEGCSA-N 0 3 236.359 3.167 20 0 BGADHN CCc1nc(C)c(CN2CCC[C@H](CC)C2)o1 ZINC000428210393 385211676 /nfs/dbraw/zinc/21/16/76/385211676.db2.gz VCQIDFLNJUZFCB-LBPRGKRZSA-N 0 3 236.359 3.167 20 0 BGADHN CC[C@@H]1CCCN1Cc1oc(C(C)C)nc1C ZINC000428212946 201001168 /nfs/dbraw/zinc/00/11/68/201001168.db2.gz POXIPMNBBJKDGV-GFCCVEGCSA-N 0 3 236.359 3.481 20 0 BGADHN CC[C@H]1CCCN1Cc1oc(C(C)C)nc1C ZINC000428212947 201001492 /nfs/dbraw/zinc/00/14/92/201001492.db2.gz POXIPMNBBJKDGV-LBPRGKRZSA-N 0 3 236.359 3.481 20 0 BGADHN CCCc1nc(C)c(CN2C[C@@H]3CCC[C@@H]3C2)o1 ZINC000428214037 398222467 /nfs/dbraw/zinc/22/24/67/398222467.db2.gz XOLCFKRUVBTXOS-BETUJISGSA-N 0 3 248.370 3.167 20 0 BGADHN CCCc1nc(C)c(CN2C[C@H]3CCC[C@@H]3C2)o1 ZINC000428214038 398222729 /nfs/dbraw/zinc/22/27/29/398222729.db2.gz XOLCFKRUVBTXOS-CHWSQXEVSA-N 0 3 248.370 3.167 20 0 BGADHN CCCc1nc(C)c(CN2C[C@@H]3CCC[C@H]3C2)o1 ZINC000428214039 398222881 /nfs/dbraw/zinc/22/28/81/398222881.db2.gz XOLCFKRUVBTXOS-STQMWFEESA-N 0 3 248.370 3.167 20 0 BGADHN Cc1cc(CN(C)CCC2CCCCC2)ncn1 ZINC000428214923 398222815 /nfs/dbraw/zinc/22/28/15/398222815.db2.gz HHMGSIXZMLPHGX-UHFFFAOYSA-N 0 3 247.386 3.187 20 0 BGADHN Cc1nc(C(C)C)oc1CN(C)C1CCC1 ZINC000428218255 398222502 /nfs/dbraw/zinc/22/25/02/398222502.db2.gz VPDSNIFKJVRKPX-UHFFFAOYSA-N 0 3 222.332 3.091 20 0 BGADHN CCCc1nc(C)c(CN2C[C@H](C)C[C@H]2C)o1 ZINC000428218295 398222562 /nfs/dbraw/zinc/22/25/62/398222562.db2.gz VUYRYBPQLYIZLQ-GHMZBOCLSA-N 0 3 236.359 3.166 20 0 BGADHN CCCc1nc(C)c(CN2C[C@H](C)C[C@@H]2C)o1 ZINC000428218296 398222404 /nfs/dbraw/zinc/22/24/04/398222404.db2.gz VUYRYBPQLYIZLQ-MNOVXSKESA-N 0 3 236.359 3.166 20 0 BGADHN CCCc1nc(C)c(CN2C[C@@H](C)C[C@@H]2C)o1 ZINC000428218297 398222658 /nfs/dbraw/zinc/22/26/58/398222658.db2.gz VUYRYBPQLYIZLQ-QWRGUYRKSA-N 0 3 236.359 3.166 20 0 BGADHN CCCc1nc(C)c(CN2C[C@@H](C)C[C@H]2C)o1 ZINC000428218298 398223025 /nfs/dbraw/zinc/22/30/25/398223025.db2.gz VUYRYBPQLYIZLQ-WDEREUQCSA-N 0 3 236.359 3.166 20 0 BGADHN CCc1nc(C)c(CN2CCC(CC)CC2)o1 ZINC000428218356 191100886 /nfs/dbraw/zinc/10/08/86/191100886.db2.gz BCUQQQCCVWZNCS-UHFFFAOYSA-N 0 3 236.359 3.167 20 0 BGADHN CCCc1nc(C)c(CN2CC[C@@H](CC)C2)o1 ZINC000428223090 387591780 /nfs/dbraw/zinc/59/17/80/387591780.db2.gz BADYFAREIBGZFP-GFCCVEGCSA-N 0 3 236.359 3.167 20 0 BGADHN CCCc1nc(C)c(CN2CC[C@H](CC)C2)o1 ZINC000428223092 387592247 /nfs/dbraw/zinc/59/22/47/387592247.db2.gz BADYFAREIBGZFP-LBPRGKRZSA-N 0 3 236.359 3.167 20 0 BGADHN Cc1cc(CNC(C)(C)CC(C)(C)C)ncn1 ZINC000428223519 533684737 /nfs/dbraw/zinc/68/47/37/533684737.db2.gz PJSYTNPFWTXFSQ-UHFFFAOYSA-N 0 3 235.375 3.089 20 0 BGADHN CC[C@@H]1CCN(Cc2oc(C(C)C)nc2C)C1 ZINC000428224229 191104503 /nfs/dbraw/zinc/10/45/03/191104503.db2.gz COFZOMYATUWFQE-GFCCVEGCSA-N 0 3 236.359 3.338 20 0 BGADHN CC[C@H]1CCN(Cc2oc(C(C)C)nc2C)C1 ZINC000428224241 191104780 /nfs/dbraw/zinc/10/47/80/191104780.db2.gz COFZOMYATUWFQE-LBPRGKRZSA-N 0 3 236.359 3.338 20 0 BGADHN CCCc1nc(C)c(CN(C)CC(C)(C)C)o1 ZINC000428226323 206056515 /nfs/dbraw/zinc/05/65/15/206056515.db2.gz HGNFZAYVZGORLF-UHFFFAOYSA-N 0 3 238.375 3.413 20 0 BGADHN CCc1nc(C)c(CN2CC[C@@H](C(C)C)C2)o1 ZINC000428227667 206056820 /nfs/dbraw/zinc/05/68/20/206056820.db2.gz JGSJDBNLVUIAMU-GFCCVEGCSA-N 0 3 236.359 3.023 20 0 BGADHN CCc1nc(C)c(CN2CC[C@H](C(C)C)C2)o1 ZINC000428227668 206054739 /nfs/dbraw/zinc/05/47/39/206054739.db2.gz JGSJDBNLVUIAMU-LBPRGKRZSA-N 0 3 236.359 3.023 20 0 BGADHN CCCc1nc(C)c(CN2C[C@@H]3[C@H](C2)C3(C)C)o1 ZINC000428228165 206056696 /nfs/dbraw/zinc/05/66/96/206056696.db2.gz LQIZOCVVKWEREM-TXEJJXNPSA-N 0 3 248.370 3.023 20 0 BGADHN CCN(Cc1oc(C(C)C)nc1C)CC1CC1 ZINC000428228656 191105118 /nfs/dbraw/zinc/10/51/18/191105118.db2.gz MQUDAKYQEBLIQO-UHFFFAOYSA-N 0 3 236.359 3.338 20 0 BGADHN Cc1cccc([C@H](C)CN[C@H](C)c2ncc[nH]2)c1 ZINC000428229012 538107619 /nfs/dbraw/zinc/10/76/19/538107619.db2.gz NLXHLZVJNJHLJA-CHWSQXEVSA-N 0 3 243.354 3.172 20 0 BGADHN Cc1cccc([C@H](C)CN[C@@H](C)c2ncc[nH]2)c1 ZINC000428229015 538107711 /nfs/dbraw/zinc/10/77/11/538107711.db2.gz NLXHLZVJNJHLJA-OLZOCXBDSA-N 0 3 243.354 3.172 20 0 BGADHN Cc1cccc([C@@H](C)CN[C@H](C)c2ncc[nH]2)c1 ZINC000428229016 538107819 /nfs/dbraw/zinc/10/78/19/538107819.db2.gz NLXHLZVJNJHLJA-QWHCGFSZSA-N 0 3 243.354 3.172 20 0 BGADHN Cc1cccc([C@@H](C)CN[C@@H](C)c2ncc[nH]2)c1 ZINC000428229018 538107776 /nfs/dbraw/zinc/10/77/76/538107776.db2.gz NLXHLZVJNJHLJA-STQMWFEESA-N 0 3 243.354 3.172 20 0 BGADHN CCc1nc(C)c(CN(C)CC(C)(C)C)o1 ZINC000428229637 206057487 /nfs/dbraw/zinc/05/74/87/206057487.db2.gz NPBTZHSHTKFEDP-UHFFFAOYSA-N 0 3 224.348 3.023 20 0 BGADHN CCCc1nc(C)c(CN(CC)CC2CC2)o1 ZINC000428230857 206055987 /nfs/dbraw/zinc/05/59/87/206055987.db2.gz TUEUSWHYLCNPKG-UHFFFAOYSA-N 0 3 236.359 3.167 20 0 BGADHN CCC1(CC)CCN([C@H](C)c2cnc(C)cn2)C1 ZINC000428231192 206054879 /nfs/dbraw/zinc/05/48/79/206054879.db2.gz VGTRTEUMERGLIY-CYBMUJFWSA-N 0 3 247.386 3.358 20 0 BGADHN CCC1(CC)CCN([C@@H](C)c2cnc(C)cn2)C1 ZINC000428231193 206055207 /nfs/dbraw/zinc/05/52/07/206055207.db2.gz VGTRTEUMERGLIY-ZDUSSCGKSA-N 0 3 247.386 3.358 20 0 BGADHN CCC[C@H]1CCCN([C@@H](C)c2cnc(C)cn2)C1 ZINC000428232007 206056475 /nfs/dbraw/zinc/05/64/75/206056475.db2.gz XTGJGQHSKMHGNB-KBPBESRZSA-N 0 3 247.386 3.358 20 0 BGADHN CCC[C@H]1CCCN([C@H](C)c2cnc(C)cn2)C1 ZINC000428232009 206057424 /nfs/dbraw/zinc/05/74/24/206057424.db2.gz XTGJGQHSKMHGNB-KGLIPLIRSA-N 0 3 247.386 3.358 20 0 BGADHN CCC[C@@H]1CCCN([C@@H](C)c2cnc(C)cn2)C1 ZINC000428232011 206054446 /nfs/dbraw/zinc/05/44/46/206054446.db2.gz XTGJGQHSKMHGNB-UONOGXRCSA-N 0 3 247.386 3.358 20 0 BGADHN CCC[C@@H]1CCCN([C@H](C)c2cnc(C)cn2)C1 ZINC000428232012 206057167 /nfs/dbraw/zinc/05/71/67/206057167.db2.gz XTGJGQHSKMHGNB-ZIAGYGMSSA-N 0 3 247.386 3.358 20 0 BGADHN CCCc1nc(C)c(CN2C[C@@H](C)[C@H](C)C2)o1 ZINC000428234547 206055281 /nfs/dbraw/zinc/05/52/81/206055281.db2.gz BKQLDLCHMFWYJO-GHMZBOCLSA-N 0 3 236.359 3.023 20 0 BGADHN CCCc1nc(C)c(CN2C[C@H](C)[C@H](C)C2)o1 ZINC000428234548 206055112 /nfs/dbraw/zinc/05/51/12/206055112.db2.gz BKQLDLCHMFWYJO-PHIMTYICSA-N 0 3 236.359 3.023 20 0 BGADHN CCCc1nc(C)c(CN2C[C@H](C)[C@@H](C)C2)o1 ZINC000428234549 206055162 /nfs/dbraw/zinc/05/51/62/206055162.db2.gz BKQLDLCHMFWYJO-QWRGUYRKSA-N 0 3 236.359 3.023 20 0 BGADHN CCc1nc(C)c(CN2CC[C@](C)(CC)C2)o1 ZINC000428235699 206054571 /nfs/dbraw/zinc/05/45/71/206054571.db2.gz DJORPULSEYYGFM-AWEZNQCLSA-N 0 3 236.359 3.167 20 0 BGADHN CCc1nc(C)c(CN2CC[C@@](C)(CC)C2)o1 ZINC000428235700 206057578 /nfs/dbraw/zinc/05/75/78/206057578.db2.gz DJORPULSEYYGFM-CQSZACIVSA-N 0 3 236.359 3.167 20 0 BGADHN Cc1nc(C(C)C)oc1CN(C)CC1CCC1 ZINC000428236065 345702721 /nfs/dbraw/zinc/70/27/21/345702721.db2.gz DQGHQHILLKVZPP-UHFFFAOYSA-N 0 3 236.359 3.338 20 0 BGADHN CCc1nc(C)c(CN(CC)C[C@H](C)CC)o1 ZINC000428236384 206054670 /nfs/dbraw/zinc/05/46/70/206054670.db2.gz HACIYHCXJORJKH-LLVKDONJSA-N 0 3 238.375 3.413 20 0 BGADHN CCc1nc(C)c(CN(CC)C[C@@H](C)CC)o1 ZINC000428236386 206056197 /nfs/dbraw/zinc/05/61/97/206056197.db2.gz HACIYHCXJORJKH-NSHDSACASA-N 0 3 238.375 3.413 20 0 BGADHN CCc1nc(C)c(CN(C)[C@H](C)C2(C)CC2)o1 ZINC000428236977 384565135 /nfs/dbraw/zinc/56/51/35/384565135.db2.gz LLFNIHJGFLMCBJ-LLVKDONJSA-N 0 3 236.359 3.166 20 0 BGADHN CCc1nc(C)c(CN(C)[C@@H](C)C2(C)CC2)o1 ZINC000428236979 384565252 /nfs/dbraw/zinc/56/52/52/384565252.db2.gz LLFNIHJGFLMCBJ-NSHDSACASA-N 0 3 236.359 3.166 20 0 BGADHN Cc1cnc([C@H](C)N2CC[C@@H](CC(C)C)C2)cn1 ZINC000428237860 206055573 /nfs/dbraw/zinc/05/55/73/206055573.db2.gz NQQXDFVUDAHMPT-KBPBESRZSA-N 0 3 247.386 3.214 20 0 BGADHN Cc1cnc([C@@H](C)N2CC[C@@H](CC(C)C)C2)cn1 ZINC000428237863 384785879 /nfs/dbraw/zinc/78/58/79/384785879.db2.gz NQQXDFVUDAHMPT-KGLIPLIRSA-N 0 3 247.386 3.214 20 0 BGADHN Cc1cnc([C@H](C)N2CC[C@H](CC(C)C)C2)cn1 ZINC000428237865 384788350 /nfs/dbraw/zinc/78/83/50/384788350.db2.gz NQQXDFVUDAHMPT-UONOGXRCSA-N 0 3 247.386 3.214 20 0 BGADHN Cc1cnc([C@@H](C)N2CC[C@H](CC(C)C)C2)cn1 ZINC000428237868 384788090 /nfs/dbraw/zinc/78/80/90/384788090.db2.gz NQQXDFVUDAHMPT-ZIAGYGMSSA-N 0 3 247.386 3.214 20 0 BGADHN CCCc1nc(C)c(CN2CCC(C)(C)C2)o1 ZINC000428237980 206055237 /nfs/dbraw/zinc/05/52/37/206055237.db2.gz MDWLRFYRWUMZEO-UHFFFAOYSA-N 0 3 236.359 3.167 20 0 BGADHN CC[C@H](C)CN(CC)[C@@H](C)c1cnc(C)cn1 ZINC000428238994 206056559 /nfs/dbraw/zinc/05/65/59/206056559.db2.gz OXGIIWBWBVGEKA-AAEUAGOBSA-N 0 3 235.375 3.214 20 0 BGADHN CC[C@@H](C)CN(CC)[C@H](C)c1cnc(C)cn1 ZINC000428238996 206054556 /nfs/dbraw/zinc/05/45/56/206054556.db2.gz OXGIIWBWBVGEKA-DGCLKSJQSA-N 0 3 235.375 3.214 20 0 BGADHN CC[C@H](C)CN(CC)[C@H](C)c1cnc(C)cn1 ZINC000428238997 206056867 /nfs/dbraw/zinc/05/68/67/206056867.db2.gz OXGIIWBWBVGEKA-WCQYABFASA-N 0 3 235.375 3.214 20 0 BGADHN CC[C@@H](C)CN(CC)[C@@H](C)c1cnc(C)cn1 ZINC000428238999 206057063 /nfs/dbraw/zinc/05/70/63/206057063.db2.gz OXGIIWBWBVGEKA-YPMHNXCESA-N 0 3 235.375 3.214 20 0 BGADHN CCCc1nc(C)c(CN2[C@H](C)CC[C@H]2C)o1 ZINC000428239816 206054076 /nfs/dbraw/zinc/05/40/76/206054076.db2.gz OIQSVCWYWAITQQ-GHMZBOCLSA-N 0 3 236.359 3.308 20 0 BGADHN CCCc1nc(C)c(CN2[C@H](C)CC[C@@H]2C)o1 ZINC000428239818 206054099 /nfs/dbraw/zinc/05/40/99/206054099.db2.gz OIQSVCWYWAITQQ-PHIMTYICSA-N 0 3 236.359 3.308 20 0 BGADHN CCCc1nc(C)c(CN2[C@@H](C)CC[C@@H]2C)o1 ZINC000428239820 201002984 /nfs/dbraw/zinc/00/29/84/201002984.db2.gz OIQSVCWYWAITQQ-QWRGUYRKSA-N 0 3 236.359 3.308 20 0 BGADHN CCCc1nc(C)c(CN2CCC3(CCC3)C2)o1 ZINC000428240781 206054069 /nfs/dbraw/zinc/05/40/69/206054069.db2.gz RZKUYPIWKNTIEL-UHFFFAOYSA-N 0 3 248.370 3.312 20 0 BGADHN CCCc1nc(C)c(CN(CCC)C2CC2)o1 ZINC000428240803 206057023 /nfs/dbraw/zinc/05/70/23/206057023.db2.gz DNIIMJMWDVPCKL-UHFFFAOYSA-N 0 3 236.359 3.310 20 0 BGADHN CCCN(Cc1oc(C(C)C)nc1C)C1CC1 ZINC000428241398 206053817 /nfs/dbraw/zinc/05/38/17/206053817.db2.gz FNIRTVYFLBOIQQ-UHFFFAOYSA-N 0 3 236.359 3.481 20 0 BGADHN CCCc1nc(C)c(CN2CC[C@H](C)[C@H]2C)o1 ZINC000428243193 206058739 /nfs/dbraw/zinc/05/87/39/206058739.db2.gz HEMPAZDZHGNIOF-CMPLNLGQSA-N 0 3 236.359 3.166 20 0 BGADHN CCCc1nc(C)c(CN2CC[C@H](C)[C@@H]2C)o1 ZINC000428243194 206058213 /nfs/dbraw/zinc/05/82/13/206058213.db2.gz HEMPAZDZHGNIOF-JQWIXIFHSA-N 0 3 236.359 3.166 20 0 BGADHN CCCc1nc(C)c(CN2CC[C@@H](C)[C@@H]2C)o1 ZINC000428243195 206058666 /nfs/dbraw/zinc/05/86/66/206058666.db2.gz HEMPAZDZHGNIOF-PWSUYJOCSA-N 0 3 236.359 3.166 20 0 BGADHN CCCc1nc(C)c(CN2CC[C@@H](C)[C@H]2C)o1 ZINC000428243197 206059917 /nfs/dbraw/zinc/05/99/17/206059917.db2.gz HEMPAZDZHGNIOF-ZYHUDNBSSA-N 0 3 236.359 3.166 20 0 BGADHN CC[C@]1(C)CCCN([C@@H](C)c2cnc(C)cn2)C1 ZINC000428243231 191048796 /nfs/dbraw/zinc/04/87/96/191048796.db2.gz WHATXYLFUGWYEK-DZGCQCFKSA-N 0 3 247.386 3.358 20 0 BGADHN CC[C@@]1(C)CCCN([C@H](C)c2cnc(C)cn2)C1 ZINC000428243232 191048869 /nfs/dbraw/zinc/04/88/69/191048869.db2.gz WHATXYLFUGWYEK-HIFRSBDPSA-N 0 3 247.386 3.358 20 0 BGADHN CC[C@]1(C)CCCN([C@H](C)c2cnc(C)cn2)C1 ZINC000428243233 191049514 /nfs/dbraw/zinc/04/95/14/191049514.db2.gz WHATXYLFUGWYEK-UKRRQHHQSA-N 0 3 247.386 3.358 20 0 BGADHN CC[C@@]1(C)CCCN([C@@H](C)c2cnc(C)cn2)C1 ZINC000428243234 191049003 /nfs/dbraw/zinc/04/90/03/191049003.db2.gz WHATXYLFUGWYEK-ZFWWWQNUSA-N 0 3 247.386 3.358 20 0 BGADHN CCCc1nc(C)c(CN(CC)C2CCC2)o1 ZINC000428244733 206058373 /nfs/dbraw/zinc/05/83/73/206058373.db2.gz IXEXPMFRLJDJRN-UHFFFAOYSA-N 0 3 236.359 3.310 20 0 BGADHN CCN(Cc1oc(C(C)C)nc1C)C1CCC1 ZINC000428245887 206059876 /nfs/dbraw/zinc/05/98/76/206059876.db2.gz KJATWUDKSMLIMX-UHFFFAOYSA-N 0 3 236.359 3.481 20 0 BGADHN CCCc1nc(C)c(CN(C)CC2CCC2)o1 ZINC000428246875 191051703 /nfs/dbraw/zinc/05/17/03/191051703.db2.gz ZODIVFCZQUXFQW-UHFFFAOYSA-N 0 3 236.359 3.167 20 0 BGADHN CCc1nc(C)c(CN(C)C[C@@H](C)CC)o1 ZINC000428248568 201004404 /nfs/dbraw/zinc/00/44/04/201004404.db2.gz MBXZMCCFXMHWPZ-JTQLQIEISA-N 0 3 224.348 3.023 20 0 BGADHN CCc1nc(C)c(CN(C)C[C@H](C)CC)o1 ZINC000428248569 201003848 /nfs/dbraw/zinc/00/38/48/201003848.db2.gz MBXZMCCFXMHWPZ-SNVBAGLBSA-N 0 3 224.348 3.023 20 0 BGADHN CCCc1nc(C)c(CN(C)C[C@H](C)CC)o1 ZINC000428248915 201003572 /nfs/dbraw/zinc/00/35/72/201003572.db2.gz MLNXAQJKNZCEOE-LLVKDONJSA-N 0 3 238.375 3.413 20 0 BGADHN CCCc1nc(C)c(CN(C)C[C@@H](C)CC)o1 ZINC000428248917 201003540 /nfs/dbraw/zinc/00/35/40/201003540.db2.gz MLNXAQJKNZCEOE-NSHDSACASA-N 0 3 238.375 3.413 20 0 BGADHN Cc1cnc([C@@H](C)N2CCCC(C)(C)CC2)cn1 ZINC000428253472 201003825 /nfs/dbraw/zinc/00/38/25/201003825.db2.gz BWOXVZLGKHZARS-CYBMUJFWSA-N 0 3 247.386 3.358 20 0 BGADHN Cc1cnc([C@H](C)N2CCCC(C)(C)CC2)cn1 ZINC000428253473 201003147 /nfs/dbraw/zinc/00/31/47/201003147.db2.gz BWOXVZLGKHZARS-ZDUSSCGKSA-N 0 3 247.386 3.358 20 0 BGADHN CCCc1nc(C)c(CN2CC[C@@H](C3CC3)C2)o1 ZINC000428286691 201005762 /nfs/dbraw/zinc/00/57/62/201005762.db2.gz BMAFJRIYPSWDJN-CYBMUJFWSA-N 0 3 248.370 3.167 20 0 BGADHN CCCc1nc(C)c(CN2CC[C@H](C3CC3)C2)o1 ZINC000428286693 201006564 /nfs/dbraw/zinc/00/65/64/201006564.db2.gz BMAFJRIYPSWDJN-ZDUSSCGKSA-N 0 3 248.370 3.167 20 0 BGADHN Cc1nc(C(C)C)oc1CN1CC[C@@H](C2CC2)C1 ZINC000428288080 201005709 /nfs/dbraw/zinc/00/57/09/201005709.db2.gz GAHCIKXKVVROAP-CYBMUJFWSA-N 0 3 248.370 3.338 20 0 BGADHN Cc1nc(C(C)C)oc1CN1CC[C@H](C2CC2)C1 ZINC000428288081 201005963 /nfs/dbraw/zinc/00/59/63/201005963.db2.gz GAHCIKXKVVROAP-ZDUSSCGKSA-N 0 3 248.370 3.338 20 0 BGADHN CCC(C)(C)CC(=O)Nc1cccc(CNC)c1 ZINC000428291370 201004026 /nfs/dbraw/zinc/00/40/26/201004026.db2.gz ACHZVMGYAZFRQZ-UHFFFAOYSA-N 0 3 248.370 3.171 20 0 BGADHN CCc1nc(C)c(CN(C)[C@H](C)C2CCC2)o1 ZINC000428293716 201005082 /nfs/dbraw/zinc/00/50/82/201005082.db2.gz CQPSMPQGRBSTTE-LLVKDONJSA-N 0 3 236.359 3.166 20 0 BGADHN CCc1nc(C)c(CN(C)[C@@H](C)C2CCC2)o1 ZINC000428293717 201006498 /nfs/dbraw/zinc/00/64/98/201006498.db2.gz CQPSMPQGRBSTTE-NSHDSACASA-N 0 3 236.359 3.166 20 0 BGADHN Cc1cnc([C@H](C)N2CC[C@@H](C)C[C@@H](C)C2)cn1 ZINC000428297270 201007630 /nfs/dbraw/zinc/00/76/30/201007630.db2.gz SJDXYCYQVRQSCH-BZPMIXESSA-N 0 3 247.386 3.214 20 0 BGADHN Cc1cnc([C@H](C)N2CC[C@@H](C)C[C@H](C)C2)cn1 ZINC000428297271 201008457 /nfs/dbraw/zinc/00/84/57/201008457.db2.gz SJDXYCYQVRQSCH-DYEKYZERSA-N 0 3 247.386 3.214 20 0 BGADHN Cc1cnc([C@H](C)N2CC[C@H](C)C[C@H](C)C2)cn1 ZINC000428297273 201007382 /nfs/dbraw/zinc/00/73/82/201007382.db2.gz SJDXYCYQVRQSCH-OBJOEFQTSA-N 0 3 247.386 3.214 20 0 BGADHN Cc1cnc([C@H](C)N2CC[C@H](C)C[C@@H](C)C2)cn1 ZINC000428297275 201008398 /nfs/dbraw/zinc/00/83/98/201008398.db2.gz SJDXYCYQVRQSCH-SCRDCRAPSA-N 0 3 247.386 3.214 20 0 BGADHN CCc1nc(C)c(CN(C(C)C)C(C)C)o1 ZINC000428313538 201006902 /nfs/dbraw/zinc/00/69/02/201006902.db2.gz XOTVFSKMSQSHDO-UHFFFAOYSA-N 0 3 224.348 3.164 20 0 BGADHN Cc1cnc([C@H](C)N(C)C[C@H]2CC=CCC2)cn1 ZINC000428344202 201010199 /nfs/dbraw/zinc/01/01/99/201010199.db2.gz GBNVQPXSFHDREV-KBPBESRZSA-N 0 3 245.370 3.134 20 0 BGADHN Cc1cnc([C@@H](C)N(C)C[C@H]2CC=CCC2)cn1 ZINC000428344203 201009213 /nfs/dbraw/zinc/00/92/13/201009213.db2.gz GBNVQPXSFHDREV-KGLIPLIRSA-N 0 3 245.370 3.134 20 0 BGADHN Cc1cnc([C@H](C)N(C)C[C@@H]2CC=CCC2)cn1 ZINC000428344204 201009120 /nfs/dbraw/zinc/00/91/20/201009120.db2.gz GBNVQPXSFHDREV-UONOGXRCSA-N 0 3 245.370 3.134 20 0 BGADHN Cc1cnc([C@@H](C)N(C)C[C@@H]2CC=CCC2)cn1 ZINC000428344205 201009930 /nfs/dbraw/zinc/00/99/30/201009930.db2.gz GBNVQPXSFHDREV-ZIAGYGMSSA-N 0 3 245.370 3.134 20 0 BGADHN CCCC[C@H](NCc1cc(C)ncn1)C1CCC1 ZINC000428345125 201009324 /nfs/dbraw/zinc/00/93/24/201009324.db2.gz KTIYIKSZPRURDY-HNNXBMFYSA-N 0 3 247.386 3.234 20 0 BGADHN CCCC[C@@H](NCc1cc(C)ncn1)C1CCC1 ZINC000428345127 201009231 /nfs/dbraw/zinc/00/92/31/201009231.db2.gz KTIYIKSZPRURDY-OAHLLOKOSA-N 0 3 247.386 3.234 20 0 BGADHN CCc1nc(C)c(CN(C)C[C@@H]2CC=CCC2)o1 ZINC000428346974 201009968 /nfs/dbraw/zinc/00/99/68/201009968.db2.gz GWMTWSVBOCLZPH-CYBMUJFWSA-N 0 3 248.370 3.334 20 0 BGADHN CCc1nc(C)c(CN(C)C[C@H]2CC=CCC2)o1 ZINC000428346975 201009316 /nfs/dbraw/zinc/00/93/16/201009316.db2.gz GWMTWSVBOCLZPH-ZDUSSCGKSA-N 0 3 248.370 3.334 20 0 BGADHN CCC(C)(C)[C@@H]1CCCN1Cc1cc(C)ncn1 ZINC000428363648 191094493 /nfs/dbraw/zinc/09/44/93/191094493.db2.gz MSSREHJCRRRFDV-AWEZNQCLSA-N 0 3 247.386 3.186 20 0 BGADHN CCC(C)(C)[C@H]1CCCN1Cc1cc(C)ncn1 ZINC000428363649 191094967 /nfs/dbraw/zinc/09/49/67/191094967.db2.gz MSSREHJCRRRFDV-CQSZACIVSA-N 0 3 247.386 3.186 20 0 BGADHN Cc1cnc([C@H](C)N2C[C@@H](C)CC(C)(C)C2)cn1 ZINC000428365309 191094414 /nfs/dbraw/zinc/09/44/14/191094414.db2.gz UTYSZMBBCVWQDU-AAEUAGOBSA-N 0 3 247.386 3.214 20 0 BGADHN Cc1cnc([C@@H](C)N2C[C@H](C)CC(C)(C)C2)cn1 ZINC000428365310 191094361 /nfs/dbraw/zinc/09/43/61/191094361.db2.gz UTYSZMBBCVWQDU-DGCLKSJQSA-N 0 3 247.386 3.214 20 0 BGADHN Cc1cnc([C@@H](C)N2C[C@@H](C)CC(C)(C)C2)cn1 ZINC000428365311 191096082 /nfs/dbraw/zinc/09/60/82/191096082.db2.gz UTYSZMBBCVWQDU-WCQYABFASA-N 0 3 247.386 3.214 20 0 BGADHN Cc1cnc([C@H](C)N2C[C@H](C)CC(C)(C)C2)cn1 ZINC000428365312 191095391 /nfs/dbraw/zinc/09/53/91/191095391.db2.gz UTYSZMBBCVWQDU-YPMHNXCESA-N 0 3 247.386 3.214 20 0 BGADHN CCc1nc(C)c(CN(C(C)C)C2CCC2)o1 ZINC000428374860 201010368 /nfs/dbraw/zinc/01/03/68/201010368.db2.gz RIAHUXNWICMIKZ-UHFFFAOYSA-N 0 3 236.359 3.308 20 0 BGADHN CCCCC[C@H]1CCCN1Cc1cc(C)ncn1 ZINC000428377288 201011495 /nfs/dbraw/zinc/01/14/95/201011495.db2.gz RZOAWGOHSJRXPA-HNNXBMFYSA-N 0 3 247.386 3.330 20 0 BGADHN CCCCC[C@@H]1CCCN1Cc1cc(C)ncn1 ZINC000428377289 201011698 /nfs/dbraw/zinc/01/16/98/201011698.db2.gz RZOAWGOHSJRXPA-OAHLLOKOSA-N 0 3 247.386 3.330 20 0 BGADHN CC[C@H](C)N(C)Cc1oc(C(C)C)nc1C ZINC000428386749 201014336 /nfs/dbraw/zinc/01/43/36/201014336.db2.gz DOTRPTWISAHSTR-JTQLQIEISA-N 0 3 224.348 3.337 20 0 BGADHN CC[C@@H](C)N(C)Cc1oc(C(C)C)nc1C ZINC000428386750 201012719 /nfs/dbraw/zinc/01/27/19/201012719.db2.gz DOTRPTWISAHSTR-SNVBAGLBSA-N 0 3 224.348 3.337 20 0 BGADHN CCc1nc(C)c(CN(CC2CC2)CC2CC2)o1 ZINC000428390699 387579233 /nfs/dbraw/zinc/57/92/33/387579233.db2.gz OWCGKICCVLSJTB-UHFFFAOYSA-N 0 3 248.370 3.167 20 0 BGADHN CCCc1nc(C)c(CN(C)[C@@H](C)CC)o1 ZINC000428391181 201013387 /nfs/dbraw/zinc/01/33/87/201013387.db2.gz WEQMYSPRGAROAN-JTQLQIEISA-N 0 3 224.348 3.166 20 0 BGADHN CCCc1nc(C)c(CN(C)[C@H](C)CC)o1 ZINC000428391182 201014533 /nfs/dbraw/zinc/01/45/33/201014533.db2.gz WEQMYSPRGAROAN-SNVBAGLBSA-N 0 3 224.348 3.166 20 0 BGADHN CCCc1nc(C)c(CN(C)CCC2CC2)o1 ZINC000428392386 201014199 /nfs/dbraw/zinc/01/41/99/201014199.db2.gz JFYBDNWMZCAOPM-UHFFFAOYSA-N 0 3 236.359 3.167 20 0 BGADHN Cc1nc(C(C)C)oc1CN(C)CCC1CC1 ZINC000428393919 201014085 /nfs/dbraw/zinc/01/40/85/201014085.db2.gz QNWILGIHFDRYTR-UHFFFAOYSA-N 0 3 236.359 3.338 20 0 BGADHN CCc1nc(C)c(CN(C)C(C)(C)CC)o1 ZINC000428401902 201014403 /nfs/dbraw/zinc/01/44/03/201014403.db2.gz NQKFUGXUYSMVEL-UHFFFAOYSA-N 0 3 224.348 3.166 20 0 BGADHN CCCc1nc(C)c(CN2CC[C@H]3CCC[C@H]32)o1 ZINC000428420344 191051007 /nfs/dbraw/zinc/05/10/07/191051007.db2.gz DCYIRFZMPDUHAI-CHWSQXEVSA-N 0 3 248.370 3.310 20 0 BGADHN CCCc1nc(C)c(CN2CC[C@H]3CCC[C@@H]32)o1 ZINC000428420347 191051235 /nfs/dbraw/zinc/05/12/35/191051235.db2.gz DCYIRFZMPDUHAI-OLZOCXBDSA-N 0 3 248.370 3.310 20 0 BGADHN CCCc1nc(C)c(CN2CC[C@@H]3CCC[C@H]32)o1 ZINC000428420351 191050955 /nfs/dbraw/zinc/05/09/55/191050955.db2.gz DCYIRFZMPDUHAI-QWHCGFSZSA-N 0 3 248.370 3.310 20 0 BGADHN CCCc1nc(C)c(CN2CC[C@@H]3CCC[C@@H]32)o1 ZINC000428420354 191052106 /nfs/dbraw/zinc/05/21/06/191052106.db2.gz DCYIRFZMPDUHAI-STQMWFEESA-N 0 3 248.370 3.310 20 0 BGADHN CCc1nc(C)c(CN(C)CC2CCCC2)o1 ZINC000428424113 201015700 /nfs/dbraw/zinc/01/57/00/201015700.db2.gz RAXKXFRXIHZHMU-UHFFFAOYSA-N 0 3 236.359 3.167 20 0 BGADHN CCc1nc(C)c(CN(CC)CCC2CC2)o1 ZINC000428424164 191055368 /nfs/dbraw/zinc/05/53/68/191055368.db2.gz STYYLBNESQJXTE-UHFFFAOYSA-N 0 3 236.359 3.167 20 0 BGADHN CCc1nc(C)c(CN(C)C(C2CC2)C2CC2)o1 ZINC000428424874 201014763 /nfs/dbraw/zinc/01/47/63/201014763.db2.gz SZDRCQSRDSMCPW-UHFFFAOYSA-N 0 3 248.370 3.166 20 0 BGADHN Cc1cnc([C@H](C)N[C@@H]2CC[C@H](C)C[C@@H]2C)cn1 ZINC000428427756 201015939 /nfs/dbraw/zinc/01/59/39/201015939.db2.gz RUUYVHSLDFFSGE-AUZPSNTRSA-N 0 3 247.386 3.260 20 0 BGADHN Cc1cnc([C@H](C)N[C@@H]2CC[C@@H](C)C[C@H]2C)cn1 ZINC000428427757 201015633 /nfs/dbraw/zinc/01/56/33/201015633.db2.gz RUUYVHSLDFFSGE-MHDGFBEUSA-N 0 3 247.386 3.260 20 0 BGADHN Cc1cnc([C@H](C)N[C@@H]2CC[C@@H](C)C[C@@H]2C)cn1 ZINC000428427758 201015809 /nfs/dbraw/zinc/01/58/09/201015809.db2.gz RUUYVHSLDFFSGE-UVLXDEKHSA-N 0 3 247.386 3.260 20 0 BGADHN Cc1cnc([C@H](C)N[C@@H]2CC[C@H](C)C[C@H]2C)cn1 ZINC000428427759 201014832 /nfs/dbraw/zinc/01/48/32/201014832.db2.gz RUUYVHSLDFFSGE-UZGDPCLZSA-N 0 3 247.386 3.260 20 0 BGADHN CC1=C[C@H](C)C[C@H](CN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000428431342 201014650 /nfs/dbraw/zinc/01/46/50/201014650.db2.gz LWRWIUSGTUQWPD-MHEUCROKSA-N 0 3 237.387 3.088 20 0 BGADHN CC1=C[C@H](C)C[C@@H](CN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000428431345 201014617 /nfs/dbraw/zinc/01/46/17/201014617.db2.gz LWRWIUSGTUQWPD-SPWCGHHHSA-N 0 3 237.387 3.088 20 0 BGADHN CCCc1nc(C)c(CN2CCCC3(CC3)C2)o1 ZINC000428435259 201016310 /nfs/dbraw/zinc/01/63/10/201016310.db2.gz NSIWPLPGNBKGKG-UHFFFAOYSA-N 0 3 248.370 3.312 20 0 BGADHN Cc1cc(CN2CC(C)(C)CC(C)(C)C2)ncn1 ZINC000428437419 201015900 /nfs/dbraw/zinc/01/59/00/201015900.db2.gz SRRLOPQQAFFGNV-UHFFFAOYSA-N 0 3 247.386 3.043 20 0 BGADHN CCc1nc(C)c(CN(C)[C@H](C)C(C)C)o1 ZINC000428443865 201017457 /nfs/dbraw/zinc/01/74/57/201017457.db2.gz AGSUNYVFPVFTPL-LLVKDONJSA-N 0 3 224.348 3.022 20 0 BGADHN CCc1nc(C)c(CN(C)[C@@H](C)C(C)C)o1 ZINC000428443866 201017015 /nfs/dbraw/zinc/01/70/15/201017015.db2.gz AGSUNYVFPVFTPL-NSHDSACASA-N 0 3 224.348 3.022 20 0 BGADHN Cc1cnc([C@H](C)N2CC[C@H](C)C(C)(C)C2)cn1 ZINC000428444892 201017557 /nfs/dbraw/zinc/01/75/57/201017557.db2.gz WXQCBNAJUJLJHF-AAEUAGOBSA-N 0 3 247.386 3.214 20 0 BGADHN Cc1cnc([C@@H](C)N2CC[C@@H](C)C(C)(C)C2)cn1 ZINC000428444895 201018084 /nfs/dbraw/zinc/01/80/84/201018084.db2.gz WXQCBNAJUJLJHF-DGCLKSJQSA-N 0 3 247.386 3.214 20 0 BGADHN Cc1cnc([C@@H](C)N2CC[C@H](C)C(C)(C)C2)cn1 ZINC000428444898 201017541 /nfs/dbraw/zinc/01/75/41/201017541.db2.gz WXQCBNAJUJLJHF-WCQYABFASA-N 0 3 247.386 3.214 20 0 BGADHN Cc1cnc([C@H](C)N2CC[C@@H](C)C(C)(C)C2)cn1 ZINC000428444902 201017112 /nfs/dbraw/zinc/01/71/12/201017112.db2.gz WXQCBNAJUJLJHF-YPMHNXCESA-N 0 3 247.386 3.214 20 0 BGADHN CCc1nc(C)c(CN2CCCC[C@H]2CC)o1 ZINC000428445907 201017780 /nfs/dbraw/zinc/01/77/80/201017780.db2.gz HMNLEVTYJRLISO-GFCCVEGCSA-N 0 3 236.359 3.310 20 0 BGADHN CCc1nc(C)c(CN2CCCC[C@@H]2CC)o1 ZINC000428445908 201017063 /nfs/dbraw/zinc/01/70/63/201017063.db2.gz HMNLEVTYJRLISO-LBPRGKRZSA-N 0 3 236.359 3.310 20 0 BGADHN CCc1nc(C)c(CN(CC(C)C)C(C)C)o1 ZINC000428446407 201018633 /nfs/dbraw/zinc/01/86/33/201018633.db2.gz KQBUAKYKOPJLBU-UHFFFAOYSA-N 0 3 238.375 3.412 20 0 BGADHN CCCc1nc(C)c(CN(C)[C@H](C)C(C)C)o1 ZINC000428447133 201018416 /nfs/dbraw/zinc/01/84/16/201018416.db2.gz LNBMNZSYTKCFOI-GFCCVEGCSA-N 0 3 238.375 3.412 20 0 BGADHN CCCc1nc(C)c(CN(C)[C@@H](C)C(C)C)o1 ZINC000428447134 201018469 /nfs/dbraw/zinc/01/84/69/201018469.db2.gz LNBMNZSYTKCFOI-LBPRGKRZSA-N 0 3 238.375 3.412 20 0 BGADHN CCc1nc(C)c(CN(C)C2CCCCC2)o1 ZINC000428451724 201017106 /nfs/dbraw/zinc/01/71/06/201017106.db2.gz FBWMYDTWGYLUKI-UHFFFAOYSA-N 0 3 236.359 3.310 20 0 BGADHN CCCc1nc(C)c(CN(CC)CC(C)C)o1 ZINC000428452101 384568054 /nfs/dbraw/zinc/56/80/54/384568054.db2.gz JFHNVLMRWMTJGP-UHFFFAOYSA-N 0 3 238.375 3.413 20 0 BGADHN CCc1nc(C)c(CN(CC(C)C)C2CC2)o1 ZINC000428453229 201019454 /nfs/dbraw/zinc/01/94/54/201019454.db2.gz FKIUIHNEXPZJRC-UHFFFAOYSA-N 0 3 236.359 3.166 20 0 BGADHN Fc1cc(F)cc(CN2CC[C@H]3CCC[C@H]32)c1 ZINC000428453324 201020205 /nfs/dbraw/zinc/02/02/05/201020205.db2.gz AIWMHBJFKDAUKS-BXUZGUMPSA-N 0 3 237.293 3.339 20 0 BGADHN Fc1cc(F)cc(CN2CC[C@@H]3CCC[C@@H]32)c1 ZINC000428453379 201021064 /nfs/dbraw/zinc/02/10/64/201021064.db2.gz AIWMHBJFKDAUKS-FZMZJTMJSA-N 0 3 237.293 3.339 20 0 BGADHN Fc1cc(F)cc(CN2CC[C@H]3CCC[C@@H]32)c1 ZINC000428453380 201020188 /nfs/dbraw/zinc/02/01/88/201020188.db2.gz AIWMHBJFKDAUKS-RISCZKNCSA-N 0 3 237.293 3.339 20 0 BGADHN Fc1cc(F)cc(CN2CC[C@@H]3CCC[C@H]32)c1 ZINC000428453381 201020522 /nfs/dbraw/zinc/02/05/22/201020522.db2.gz AIWMHBJFKDAUKS-SMDDNHRTSA-N 0 3 237.293 3.339 20 0 BGADHN CCCN(Cc1oc(CC)nc1C)CC(C)C ZINC000428454195 201019303 /nfs/dbraw/zinc/01/93/03/201019303.db2.gz CKNXPTZNVPFHOV-UHFFFAOYSA-N 0 3 238.375 3.413 20 0 BGADHN CCCCN(CC)Cc1oc(CC)nc1C ZINC000428455286 191075488 /nfs/dbraw/zinc/07/54/88/191075488.db2.gz FWPXPRRPRKUWJW-UHFFFAOYSA-N 0 3 224.348 3.167 20 0 BGADHN Cc1cnc([C@@H](C)N(C)CC2CCCCC2)cn1 ZINC000428456295 191074909 /nfs/dbraw/zinc/07/49/09/191074909.db2.gz KTSQYLNTPGZMTN-CYBMUJFWSA-N 0 3 247.386 3.358 20 0 BGADHN Cc1cnc([C@H](C)N(C)CC2CCCCC2)cn1 ZINC000428456296 191075481 /nfs/dbraw/zinc/07/54/81/191075481.db2.gz KTSQYLNTPGZMTN-ZDUSSCGKSA-N 0 3 247.386 3.358 20 0 BGADHN CCCc1nc(C)c(CN2CCC(C)CC2)o1 ZINC000428457050 201019489 /nfs/dbraw/zinc/01/94/89/201019489.db2.gz JPWGRVZDUASZDZ-UHFFFAOYSA-N 0 3 236.359 3.167 20 0 BGADHN CCc1nc(C)c(CN(CC)CC(C)C)o1 ZINC000428457420 201019415 /nfs/dbraw/zinc/01/94/15/201019415.db2.gz WZAGCPJREVDKKP-UHFFFAOYSA-N 0 3 224.348 3.023 20 0 BGADHN CCCN(CC)Cc1oc(C(C)C)nc1C ZINC000428457657 191075948 /nfs/dbraw/zinc/07/59/48/191075948.db2.gz AEVBXPVIRTYPJR-UHFFFAOYSA-N 0 3 224.348 3.338 20 0 BGADHN Cc1ccoc1CN(C)CCCC(C)C ZINC000428457882 191076270 /nfs/dbraw/zinc/07/62/70/191076270.db2.gz AURRQNPDTGKSMJ-UHFFFAOYSA-N 0 3 209.333 3.456 20 0 BGADHN CCCCN(Cc1oc(CC)nc1C)C1CC1 ZINC000428457960 201020243 /nfs/dbraw/zinc/02/02/43/201020243.db2.gz IBZSVBPWGHRIBO-UHFFFAOYSA-N 0 3 236.359 3.310 20 0 BGADHN Cc1nc(C(C)C)oc1CN(C)CC(C)C ZINC000428459369 201019658 /nfs/dbraw/zinc/01/96/58/201019658.db2.gz ZGSQOCHBDAERRK-UHFFFAOYSA-N 0 3 224.348 3.194 20 0 BGADHN Clc1ccc(CN2CC[C@@H]3CCC[C@H]32)o1 ZINC000428460592 201019615 /nfs/dbraw/zinc/01/96/15/201019615.db2.gz QJZOFJOZLGRNRX-GXSJLCMTSA-N 0 3 225.719 3.307 20 0 BGADHN Clc1ccc(CN2CC[C@H]3CCC[C@@H]32)o1 ZINC000428460598 201019935 /nfs/dbraw/zinc/01/99/35/201019935.db2.gz QJZOFJOZLGRNRX-KOLCDFICSA-N 0 3 225.719 3.307 20 0 BGADHN Clc1ccc(CN2CC[C@H]3CCC[C@H]32)o1 ZINC000428460599 201019065 /nfs/dbraw/zinc/01/90/65/201019065.db2.gz QJZOFJOZLGRNRX-MWLCHTKSSA-N 0 3 225.719 3.307 20 0 BGADHN Clc1ccc(CN2CC[C@@H]3CCC[C@@H]32)o1 ZINC000428460601 201016513 /nfs/dbraw/zinc/01/65/13/201016513.db2.gz QJZOFJOZLGRNRX-ONGXEEELSA-N 0 3 225.719 3.307 20 0 BGADHN CCCN(CCC)Cc1oc(CC)nc1C ZINC000428461058 384614215 /nfs/dbraw/zinc/61/42/15/384614215.db2.gz HVDZVFNWWJIDFP-UHFFFAOYSA-N 0 3 224.348 3.167 20 0 BGADHN CCc1nc(C)c(CN(CC)C2CCCC2)o1 ZINC000428461075 201019226 /nfs/dbraw/zinc/01/92/26/201019226.db2.gz IAFGKUCJDXRPQH-UHFFFAOYSA-N 0 3 236.359 3.310 20 0 BGADHN CCCN(Cc1oc(CC)nc1C)CC1CC1 ZINC000428462050 201020595 /nfs/dbraw/zinc/02/05/95/201020595.db2.gz QYBDPUYQFNAMCU-UHFFFAOYSA-N 0 3 236.359 3.167 20 0 BGADHN CCCc1nc(C)c(CN2CCCC[C@H]2C)o1 ZINC000428463447 201020514 /nfs/dbraw/zinc/02/05/14/201020514.db2.gz NSRKMQKIFMJHCJ-LLVKDONJSA-N 0 3 236.359 3.310 20 0 BGADHN CCCc1nc(C)c(CN2CCCC[C@@H]2C)o1 ZINC000428463448 201019832 /nfs/dbraw/zinc/01/98/32/201019832.db2.gz NSRKMQKIFMJHCJ-NSHDSACASA-N 0 3 236.359 3.310 20 0 BGADHN CCC[C@H](C)N(C)Cc1oc(CC)nc1C ZINC000428464487 201021679 /nfs/dbraw/zinc/02/16/79/201021679.db2.gz XQUDRRMKOUEACL-JTQLQIEISA-N 0 3 224.348 3.166 20 0 BGADHN CCC[C@@H](C)N(C)Cc1oc(CC)nc1C ZINC000428464488 201021668 /nfs/dbraw/zinc/02/16/68/201021668.db2.gz XQUDRRMKOUEACL-SNVBAGLBSA-N 0 3 224.348 3.166 20 0 BGADHN CCCc1nc(C)c(CN2CCC[C@@H](C)C2)o1 ZINC000428466051 201022129 /nfs/dbraw/zinc/02/21/29/201022129.db2.gz UWTYUFHSLVXTJR-LLVKDONJSA-N 0 3 236.359 3.167 20 0 BGADHN CCCc1nc(C)c(CN2CCC[C@H](C)C2)o1 ZINC000428466052 201021329 /nfs/dbraw/zinc/02/13/29/201021329.db2.gz UWTYUFHSLVXTJR-NSHDSACASA-N 0 3 236.359 3.167 20 0 BGADHN CCCc1nc(C)c(CN(C)CC(C)C)o1 ZINC000428466586 201021284 /nfs/dbraw/zinc/02/12/84/201021284.db2.gz WCMCSFHHQHRLOO-UHFFFAOYSA-N 0 3 224.348 3.023 20 0 BGADHN Cc1nc(C(C)C)oc1CN(C(C)C)C1CC1 ZINC000428467791 201022944 /nfs/dbraw/zinc/02/29/44/201022944.db2.gz BDCQPHSKFLAMOV-UHFFFAOYSA-N 0 3 236.359 3.479 20 0 BGADHN Cc1nc(C(C)C)oc1CN(C)C1CCCC1 ZINC000428468168 201021978 /nfs/dbraw/zinc/02/19/78/201021978.db2.gz MQPWWXIQZYWFMQ-UHFFFAOYSA-N 0 3 236.359 3.481 20 0 BGADHN CCCc1nc(C)c(CN(CC)CCC)o1 ZINC000428469253 201021400 /nfs/dbraw/zinc/02/14/00/201021400.db2.gz SQCSQBRFVSYTCF-UHFFFAOYSA-N 0 3 224.348 3.167 20 0 BGADHN CCc1nc(C)c(CN(CC)[C@H](C)C(C)C)o1 ZINC000428469266 201022731 /nfs/dbraw/zinc/02/27/31/201022731.db2.gz SVTDJSSBGNRNCQ-GFCCVEGCSA-N 0 3 238.375 3.412 20 0 BGADHN CCc1nc(C)c(CN(CC)[C@@H](C)C(C)C)o1 ZINC000428469267 201023461 /nfs/dbraw/zinc/02/34/61/201023461.db2.gz SVTDJSSBGNRNCQ-LBPRGKRZSA-N 0 3 238.375 3.412 20 0 BGADHN CCCc1nc(C)c(CN(C)C2CCCC2)o1 ZINC000428469489 201021789 /nfs/dbraw/zinc/02/17/89/201021789.db2.gz UWQGGNHMLHYFLN-UHFFFAOYSA-N 0 3 236.359 3.310 20 0 BGADHN CCN(Cc1oc(C(C)C)nc1C)C(C)C ZINC000428469510 191078400 /nfs/dbraw/zinc/07/84/00/191078400.db2.gz VFRDQXRCPWCPCA-UHFFFAOYSA-N 0 3 224.348 3.337 20 0 BGADHN CCCc1nc(C)c(CN(C(C)C)C2CC2)o1 ZINC000428470205 201021462 /nfs/dbraw/zinc/02/14/62/201021462.db2.gz NGBVFWCOXYCUAO-UHFFFAOYSA-N 0 3 236.359 3.308 20 0 BGADHN CCc1nc(C)c(CN([C@H](C)C2CC2)C2CC2)o1 ZINC000428470510 201022845 /nfs/dbraw/zinc/02/28/45/201022845.db2.gz PUVVKIWPKOJXMP-LLVKDONJSA-N 0 3 248.370 3.308 20 0 BGADHN CCc1nc(C)c(CN([C@@H](C)C2CC2)C2CC2)o1 ZINC000428470511 201022428 /nfs/dbraw/zinc/02/24/28/201022428.db2.gz PUVVKIWPKOJXMP-NSHDSACASA-N 0 3 248.370 3.308 20 0 BGADHN CCCc1nc(C)c(CN(CC)C(C)C)o1 ZINC000428470933 201021797 /nfs/dbraw/zinc/02/17/97/201021797.db2.gz UBYAVPNTQGUROY-UHFFFAOYSA-N 0 3 224.348 3.166 20 0 BGADHN CCCc1nc(C)c(CN2CCCCCC2)o1 ZINC000428471426 201021352 /nfs/dbraw/zinc/02/13/52/201021352.db2.gz AHRRQZSIYZTXIO-UHFFFAOYSA-N 0 3 236.359 3.312 20 0 BGADHN CCCCN(C)Cc1oc(CCC)nc1C ZINC000428471465 201021534 /nfs/dbraw/zinc/02/15/34/201021534.db2.gz ASTUUBGBBLFHDG-UHFFFAOYSA-N 0 3 224.348 3.167 20 0 BGADHN CCCCN(C)Cc1oc(C(C)C)nc1C ZINC000428473828 201021270 /nfs/dbraw/zinc/02/12/70/201021270.db2.gz OPAUHQZSMWARMQ-UHFFFAOYSA-N 0 3 224.348 3.338 20 0 BGADHN Cc1n[nH]c(C)c1CN1CCC(C)(C(C)C)CC1 ZINC000428480436 201024001 /nfs/dbraw/zinc/02/40/01/201024001.db2.gz IMQKLBQZNMEWIY-UHFFFAOYSA-N 0 3 249.402 3.285 20 0 BGADHN Cc1cnc([C@@H](C)N2CCCCC(C)(C)C2)cn1 ZINC000428482170 201025373 /nfs/dbraw/zinc/02/53/73/201025373.db2.gz LLISSOSQYLYGLL-CYBMUJFWSA-N 0 3 247.386 3.358 20 0 BGADHN Cc1cnc([C@H](C)N2CCCCC(C)(C)C2)cn1 ZINC000428482171 201024690 /nfs/dbraw/zinc/02/46/90/201024690.db2.gz LLISSOSQYLYGLL-ZDUSSCGKSA-N 0 3 247.386 3.358 20 0 BGADHN CC(C)C1(C)CCN(Cc2cccn2C)CC1 ZINC000428488921 201025317 /nfs/dbraw/zinc/02/53/17/201025317.db2.gz ZDOWMQWBDGWYHH-UHFFFAOYSA-N 0 3 234.387 3.283 20 0 BGADHN CC[C@H]1CCCC[C@H]1N(C)Cc1cc(C)ncn1 ZINC000428489221 201025283 /nfs/dbraw/zinc/02/52/83/201025283.db2.gz ZMGIPEBCWSNYNP-DZGCQCFKSA-N 0 3 247.386 3.186 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1N(C)Cc1cc(C)ncn1 ZINC000428489223 201024862 /nfs/dbraw/zinc/02/48/62/201024862.db2.gz ZMGIPEBCWSNYNP-HIFRSBDPSA-N 0 3 247.386 3.186 20 0 BGADHN CC[C@@H]1CCCC[C@H]1N(C)Cc1cc(C)ncn1 ZINC000428489225 201024522 /nfs/dbraw/zinc/02/45/22/201024522.db2.gz ZMGIPEBCWSNYNP-UKRRQHHQSA-N 0 3 247.386 3.186 20 0 BGADHN CC[C@H]1CCCC[C@@H]1N(C)Cc1cc(C)ncn1 ZINC000428489227 201024648 /nfs/dbraw/zinc/02/46/48/201024648.db2.gz ZMGIPEBCWSNYNP-ZFWWWQNUSA-N 0 3 247.386 3.186 20 0 BGADHN Cc1ccc(CN(C)CCCC(C)C)o1 ZINC000428489951 201023701 /nfs/dbraw/zinc/02/37/01/201023701.db2.gz XMUINJNMYBIICF-UHFFFAOYSA-N 0 3 209.333 3.456 20 0 BGADHN CCOc1cccc(CNCC(C)(C)CC)n1 ZINC000428532504 201026731 /nfs/dbraw/zinc/02/67/31/201026731.db2.gz HANGRKKSKRNBSJ-UHFFFAOYSA-N 0 3 236.359 3.006 20 0 BGADHN CC(C)(C)c1n[nH]cc1CN[C@@H]1CC12CCCC2 ZINC000428543198 201028318 /nfs/dbraw/zinc/02/83/18/201028318.db2.gz HGHPCXKUDRCDBM-GFCCVEGCSA-N 0 3 247.386 3.130 20 0 BGADHN CC(C)(C)c1n[nH]cc1CN[C@H]1CC12CCCC2 ZINC000428543199 201027273 /nfs/dbraw/zinc/02/72/73/201027273.db2.gz HGHPCXKUDRCDBM-LBPRGKRZSA-N 0 3 247.386 3.130 20 0 BGADHN CN(C)c1ccccc1CN[C@H]1CC12CCCC2 ZINC000428550203 201027116 /nfs/dbraw/zinc/02/71/16/201027116.db2.gz QMDVPZSZARSRBH-HNNXBMFYSA-N 0 3 244.382 3.175 20 0 BGADHN CN(C)c1ccccc1CN[C@@H]1CC12CCCC2 ZINC000428550204 201027106 /nfs/dbraw/zinc/02/71/06/201027106.db2.gz QMDVPZSZARSRBH-OAHLLOKOSA-N 0 3 244.382 3.175 20 0 BGADHN CCC(C)(C)CC(=O)Nc1ccccc1CNC ZINC000428567899 201027933 /nfs/dbraw/zinc/02/79/33/201027933.db2.gz PMHKRVHBWLPZFR-UHFFFAOYSA-N 0 3 248.370 3.171 20 0 BGADHN Fc1ccc(/C=C\CNC2CC(F)(F)C2)cc1 ZINC000428640982 201030817 /nfs/dbraw/zinc/03/08/17/201030817.db2.gz CNDVGSNZIVNMPU-UPHRSURJSA-N 0 3 241.256 3.226 20 0 BGADHN C/C(=C/c1ccccc1)CNC1CC(F)(F)C1 ZINC000428648731 201031115 /nfs/dbraw/zinc/03/11/15/201031115.db2.gz DJIBUTPCZUDJBB-XFFZJAGNSA-N 0 3 237.293 3.477 20 0 BGADHN Cc1cc(NC2CC(F)(F)C2)c2ccccc2n1 ZINC000428662695 191105109 /nfs/dbraw/zinc/10/51/09/191105109.db2.gz CWJHXFYQVAITKG-UHFFFAOYSA-N 0 3 248.276 3.175 20 0 BGADHN Cc1ccc2nccc(NC3CC(F)(F)C3)c2c1 ZINC000428674458 201034597 /nfs/dbraw/zinc/03/45/97/201034597.db2.gz XMVBVDUGRQJKMR-UHFFFAOYSA-N 0 3 248.276 3.175 20 0 BGADHN CCSCCN(C)Cc1cccc(C)c1C ZINC000428716824 201037439 /nfs/dbraw/zinc/03/74/39/201037439.db2.gz CEEIJQWCVGNDEA-UHFFFAOYSA-N 0 3 237.412 3.488 20 0 BGADHN C[C@]12CCN([C@H]3C=CCCC3)C[C@H]1C2(F)F ZINC000428723890 206059762 /nfs/dbraw/zinc/05/97/62/206059762.db2.gz OLCWQMJMOZZFQW-TUAOUCFPSA-N 0 3 227.298 3.072 20 0 BGADHN C[C@]12CCN([C@@H]3C=CCCC3)C[C@H]1C2(F)F ZINC000428723892 201038112 /nfs/dbraw/zinc/03/81/12/201038112.db2.gz OLCWQMJMOZZFQW-UTUOFQBUSA-N 0 3 227.298 3.072 20 0 BGADHN Cc1cccc(CN(C)C[C@@H]2CC[C@H](C)O2)c1C ZINC000428738327 201039939 /nfs/dbraw/zinc/03/99/39/201039939.db2.gz NZWKZFWFBILSRV-BBRMVZONSA-N 0 3 247.382 3.303 20 0 BGADHN Cc1cccc(CN(C)C[C@@H]2CC[C@@H](C)O2)c1C ZINC000428738329 201040209 /nfs/dbraw/zinc/04/02/09/201040209.db2.gz NZWKZFWFBILSRV-CJNGLKHVSA-N 0 3 247.382 3.303 20 0 BGADHN Cc1cccc(CN(C)C[C@H]2CC[C@@H](C)O2)c1C ZINC000428738331 201038874 /nfs/dbraw/zinc/03/88/74/201038874.db2.gz NZWKZFWFBILSRV-CZUORRHYSA-N 0 3 247.382 3.303 20 0 BGADHN Cc1cccc(CN(C)C[C@H]2CC[C@H](C)O2)c1C ZINC000428738333 201039960 /nfs/dbraw/zinc/03/99/60/201039960.db2.gz NZWKZFWFBILSRV-XJKSGUPXSA-N 0 3 247.382 3.303 20 0 BGADHN Cc1cccc(CN(C)CCOCC(C)C)c1C ZINC000428742067 201038836 /nfs/dbraw/zinc/03/88/36/201038836.db2.gz BNHQLJJTWFQYCI-UHFFFAOYSA-N 0 3 249.398 3.408 20 0 BGADHN Cc1cccc(CN(C)CCOC2CCC2)c1C ZINC000428761856 201040780 /nfs/dbraw/zinc/04/07/80/201040780.db2.gz WMUJYBGCPITWBN-UHFFFAOYSA-N 0 3 247.382 3.304 20 0 BGADHN CCCc1nc(C)c(CN2CC(C)=C[C@@H](C)C2)o1 ZINC000428938456 201049970 /nfs/dbraw/zinc/04/99/70/201049970.db2.gz JKFNHKRXPBCLFX-LLVKDONJSA-N 0 3 248.370 3.334 20 0 BGADHN CCCc1nc(C)c(CN2CC(C)=C[C@H](C)C2)o1 ZINC000428938458 201050903 /nfs/dbraw/zinc/05/09/03/201050903.db2.gz JKFNHKRXPBCLFX-NSHDSACASA-N 0 3 248.370 3.334 20 0 BGADHN CCc1nc(C)c(CN(CC2CC2)C2CCC2)o1 ZINC000428939411 201050777 /nfs/dbraw/zinc/05/07/77/201050777.db2.gz MOXNZLLIOMZNMG-UHFFFAOYSA-N 0 3 248.370 3.310 20 0 BGADHN Cc1nc(C(C)C)oc1CN[C@@H]1CCC[C@@H]1C ZINC000428957011 201052219 /nfs/dbraw/zinc/05/22/19/201052219.db2.gz RJBOUMIPJBOVAP-CMPLNLGQSA-N 0 3 236.359 3.385 20 0 BGADHN Cc1nc(C(C)C)oc1CN[C@H]1CCC[C@@H]1C ZINC000428957013 201053670 /nfs/dbraw/zinc/05/36/70/201053670.db2.gz RJBOUMIPJBOVAP-JQWIXIFHSA-N 0 3 236.359 3.385 20 0 BGADHN Cc1nc(C(C)C)oc1CN[C@H]1CCC[C@H]1C ZINC000428957014 201052358 /nfs/dbraw/zinc/05/23/58/201052358.db2.gz RJBOUMIPJBOVAP-PWSUYJOCSA-N 0 3 236.359 3.385 20 0 BGADHN Cc1nc(C(C)C)oc1CN[C@@H]1CCC[C@H]1C ZINC000428957015 201053077 /nfs/dbraw/zinc/05/30/77/201053077.db2.gz RJBOUMIPJBOVAP-ZYHUDNBSSA-N 0 3 236.359 3.385 20 0 BGADHN CCc1nc(C)c(CN(CC)CC2CCC2)o1 ZINC000428961258 201052462 /nfs/dbraw/zinc/05/24/62/201052462.db2.gz KPCIXTAAPQFWGV-UHFFFAOYSA-N 0 3 236.359 3.167 20 0 BGADHN CCc1nc(C)c(CN(CC)CC(C)(C)C)o1 ZINC000428966102 201053566 /nfs/dbraw/zinc/05/35/66/201053566.db2.gz ITRWGVPIJFPHSF-UHFFFAOYSA-N 0 3 238.375 3.413 20 0 BGADHN CCc1nc(C)c(CN(C)[C@@H]2CC[C@H](C)C2)o1 ZINC000428977379 201055994 /nfs/dbraw/zinc/05/59/94/201055994.db2.gz LQMCHVZNCUDFOO-CMPLNLGQSA-N 0 3 236.359 3.166 20 0 BGADHN CCc1nc(C)c(CN(C)[C@H]2CC[C@H](C)C2)o1 ZINC000428977380 201055080 /nfs/dbraw/zinc/05/50/80/201055080.db2.gz LQMCHVZNCUDFOO-JQWIXIFHSA-N 0 3 236.359 3.166 20 0 BGADHN CCc1nc(C)c(CN(C)[C@H]2CC[C@@H](C)C2)o1 ZINC000428977381 201055592 /nfs/dbraw/zinc/05/55/92/201055592.db2.gz LQMCHVZNCUDFOO-PWSUYJOCSA-N 0 3 236.359 3.166 20 0 BGADHN CCc1nc(C)c(CN(C)[C@@H]2CC[C@@H](C)C2)o1 ZINC000428977382 201056239 /nfs/dbraw/zinc/05/62/39/201056239.db2.gz LQMCHVZNCUDFOO-ZYHUDNBSSA-N 0 3 236.359 3.166 20 0 BGADHN CCc1nc(C)c(CN2CCC[C@@H](C3CC3)C2)o1 ZINC000428981042 201054026 /nfs/dbraw/zinc/05/40/26/201054026.db2.gz XTLRZBIVPRMWLV-CYBMUJFWSA-N 0 3 248.370 3.167 20 0 BGADHN CCc1nc(C)c(CN2CCC[C@H](C3CC3)C2)o1 ZINC000428981044 201055618 /nfs/dbraw/zinc/05/56/18/201055618.db2.gz XTLRZBIVPRMWLV-ZDUSSCGKSA-N 0 3 248.370 3.167 20 0 BGADHN CCc1nc(C)c(CN(C)C2(C)CCCC2)o1 ZINC000428981814 398224511 /nfs/dbraw/zinc/22/45/11/398224511.db2.gz ZVLJRXXQPDTPFS-UHFFFAOYSA-N 0 3 236.359 3.310 20 0 BGADHN CC[C@@H]1CCC[C@H]1N[C@H](C)c1cnc(C)cn1 ZINC000428982292 201054315 /nfs/dbraw/zinc/05/43/15/201054315.db2.gz ZSCLNJKWJXYJGF-JHJVBQTASA-N 0 3 233.359 3.014 20 0 BGADHN CC[C@@H]1CCC[C@@H]1N[C@H](C)c1cnc(C)cn1 ZINC000428982293 201055533 /nfs/dbraw/zinc/05/55/33/201055533.db2.gz ZSCLNJKWJXYJGF-UPJWGTAASA-N 0 3 233.359 3.014 20 0 BGADHN CC[C@@H]1CCC[C@@H]1N[C@@H](C)c1cnc(C)cn1 ZINC000428982294 201054931 /nfs/dbraw/zinc/05/49/31/201054931.db2.gz ZSCLNJKWJXYJGF-XQQFMLRXSA-N 0 3 233.359 3.014 20 0 BGADHN CC[C@@H]1CCC[C@H]1N[C@@H](C)c1cnc(C)cn1 ZINC000428982295 201054882 /nfs/dbraw/zinc/05/48/82/201054882.db2.gz ZSCLNJKWJXYJGF-YNEHKIRRSA-N 0 3 233.359 3.014 20 0 BGADHN CCc1nc(C)c(CN2CCCC3(CCC3)C2)o1 ZINC000428983695 201054665 /nfs/dbraw/zinc/05/46/65/201054665.db2.gz GTIDKUOGPOFYJA-UHFFFAOYSA-N 0 3 248.370 3.312 20 0 BGADHN CCCc1nc(C)c(CN2CCCC23CCC3)o1 ZINC000428984979 201055416 /nfs/dbraw/zinc/05/54/16/201055416.db2.gz JCPVQGRVLAOADM-UHFFFAOYSA-N 0 3 248.370 3.454 20 0 BGADHN Cc1cnc([C@@H](C)N2CCCC3(CCC3)C2)cn1 ZINC000428988853 201058955 /nfs/dbraw/zinc/05/89/55/201058955.db2.gz CAADUSYQCANUEI-CYBMUJFWSA-N 0 3 245.370 3.112 20 0 BGADHN Cc1cnc([C@H](C)N2CCCC3(CCC3)C2)cn1 ZINC000428988854 201057744 /nfs/dbraw/zinc/05/77/44/201057744.db2.gz CAADUSYQCANUEI-ZDUSSCGKSA-N 0 3 245.370 3.112 20 0 BGADHN Cc1occc1CN(C)CCCC(C)C ZINC000429050732 201064472 /nfs/dbraw/zinc/06/44/72/201064472.db2.gz ZWPMIUILGGDHKH-UHFFFAOYSA-N 0 3 209.333 3.456 20 0 BGADHN CCN(CCCC(C)C)Cc1ccccn1 ZINC000429058431 201065170 /nfs/dbraw/zinc/06/51/70/201065170.db2.gz GRLJVLYLEUYKGQ-UHFFFAOYSA-N 0 3 220.360 3.340 20 0 BGADHN CC(C)CCCN1CCOC2(CCCC2)C1 ZINC000429062618 201064500 /nfs/dbraw/zinc/06/45/00/201064500.db2.gz USXSQVURYCJNML-UHFFFAOYSA-N 0 3 225.376 3.068 20 0 BGADHN CC(C)CCCN1Cc2ccccc2C1 ZINC000429063578 201066199 /nfs/dbraw/zinc/06/61/99/201066199.db2.gz XVPIEUYXCCAAGL-UHFFFAOYSA-N 0 3 203.329 3.438 20 0 BGADHN COCCN(CCCC(C)C)Cc1ccco1 ZINC000429071538 201067024 /nfs/dbraw/zinc/06/70/24/201067024.db2.gz YVJGBSWQDITLMX-UHFFFAOYSA-N 0 3 239.359 3.164 20 0 BGADHN CCCCN1Cc2ccccc2O[C@H](C)C1 ZINC000429111464 201067714 /nfs/dbraw/zinc/06/77/14/201067714.db2.gz COFYCYQKXQZHFJ-GFCCVEGCSA-N 0 3 219.328 3.070 20 0 BGADHN CCCCN1Cc2ccccc2O[C@@H](C)C1 ZINC000429111466 201067397 /nfs/dbraw/zinc/06/73/97/201067397.db2.gz COFYCYQKXQZHFJ-LBPRGKRZSA-N 0 3 219.328 3.070 20 0 BGADHN CCc1noc(C)c1CN(C1CCC1)C1CCC1 ZINC000429115076 201069240 /nfs/dbraw/zinc/06/92/40/201069240.db2.gz IRXCPCDBBRVTTL-UHFFFAOYSA-N 0 3 248.370 3.452 20 0 BGADHN CC(C)CCN1Cc2ccccc2O[C@H](C)C1 ZINC000429130249 201071502 /nfs/dbraw/zinc/07/15/02/201071502.db2.gz UJCWVRLQYIQJPE-CYBMUJFWSA-N 0 3 233.355 3.316 20 0 BGADHN CC(C)CCN1Cc2ccccc2O[C@@H](C)C1 ZINC000429130250 201071724 /nfs/dbraw/zinc/07/17/24/201071724.db2.gz UJCWVRLQYIQJPE-ZDUSSCGKSA-N 0 3 233.355 3.316 20 0 BGADHN CCc1nc(C)c(CN(C2CCC2)C2CCC2)o1 ZINC000429135437 201069967 /nfs/dbraw/zinc/06/99/67/201069967.db2.gz UDTZUQHLAKHZCZ-UHFFFAOYSA-N 0 3 248.370 3.452 20 0 BGADHN Fc1ccc(CN(C2CCC2)C2CCC2)nc1 ZINC000429138000 201070576 /nfs/dbraw/zinc/07/05/76/201070576.db2.gz DAAYENGGSOEVDY-UHFFFAOYSA-N 0 3 234.318 3.128 20 0 BGADHN CC(C)=CCN1Cc2ccccc2O[C@H](C)C1 ZINC000429138424 201072264 /nfs/dbraw/zinc/07/22/64/201072264.db2.gz VSDMJQPJJYRXHQ-CYBMUJFWSA-N 0 3 231.339 3.236 20 0 BGADHN CC(C)=CCN1Cc2ccccc2O[C@@H](C)C1 ZINC000429138426 201070846 /nfs/dbraw/zinc/07/08/46/201070846.db2.gz VSDMJQPJJYRXHQ-ZDUSSCGKSA-N 0 3 231.339 3.236 20 0 BGADHN Cc1ncc(CN(C2CCC2)C2CCC2)s1 ZINC000429142793 201073036 /nfs/dbraw/zinc/07/30/36/201073036.db2.gz OBUMVMAQJRGQFZ-UHFFFAOYSA-N 0 3 236.384 3.359 20 0 BGADHN C[C@@H]1CN(CCC2CC2)Cc2ccccc2O1 ZINC000429143411 201073247 /nfs/dbraw/zinc/07/32/47/201073247.db2.gz QUKSZIWSJNXMHK-GFCCVEGCSA-N 0 3 231.339 3.070 20 0 BGADHN C[C@H]1CN(CCC2CC2)Cc2ccccc2O1 ZINC000429143412 201073434 /nfs/dbraw/zinc/07/34/34/201073434.db2.gz QUKSZIWSJNXMHK-LBPRGKRZSA-N 0 3 231.339 3.070 20 0 BGADHN CCCCCN1Cc2ccccc2O[C@H](C)C1 ZINC000429144486 201073941 /nfs/dbraw/zinc/07/39/41/201073941.db2.gz SWKZSUPZGBJSJX-CYBMUJFWSA-N 0 3 233.355 3.460 20 0 BGADHN CCCCCN1Cc2ccccc2O[C@@H](C)C1 ZINC000429144487 201072483 /nfs/dbraw/zinc/07/24/83/201072483.db2.gz SWKZSUPZGBJSJX-ZDUSSCGKSA-N 0 3 233.355 3.460 20 0 BGADHN CC(C)n1nccc1CN(C1CCC1)C1CCC1 ZINC000429157358 201074429 /nfs/dbraw/zinc/07/44/29/201074429.db2.gz VAZGUGDKJZLHBN-UHFFFAOYSA-N 0 3 247.386 3.371 20 0 BGADHN CC[C@@H](C)N1Cc2ccccc2O[C@@H](C)C1 ZINC000429161529 201076466 /nfs/dbraw/zinc/07/64/66/201076466.db2.gz QPWBWJAWCXTYIB-NEPJUHHUSA-N 0 3 219.328 3.068 20 0 BGADHN CC[C@H](C)N1Cc2ccccc2O[C@H](C)C1 ZINC000429161531 201075158 /nfs/dbraw/zinc/07/51/58/201075158.db2.gz QPWBWJAWCXTYIB-NWDGAFQWSA-N 0 3 219.328 3.068 20 0 BGADHN CC[C@H](C)N1Cc2ccccc2O[C@@H](C)C1 ZINC000429161533 201076276 /nfs/dbraw/zinc/07/62/76/201076276.db2.gz QPWBWJAWCXTYIB-RYUDHWBXSA-N 0 3 219.328 3.068 20 0 BGADHN CC[C@@H](C)N1Cc2ccccc2O[C@H](C)C1 ZINC000429161534 201076511 /nfs/dbraw/zinc/07/65/11/201076511.db2.gz QPWBWJAWCXTYIB-VXGBXAGGSA-N 0 3 219.328 3.068 20 0 BGADHN C[C@H]1CN([C@@H]2C=CCCC2)Cc2ccccc2O1 ZINC000429162398 201076937 /nfs/dbraw/zinc/07/69/37/201076937.db2.gz LCHNIMITGBLKRS-DZGCQCFKSA-N 0 3 243.350 3.378 20 0 BGADHN C[C@@H]1CN([C@H]2C=CCCC2)Cc2ccccc2O1 ZINC000429162402 201076692 /nfs/dbraw/zinc/07/66/92/201076692.db2.gz LCHNIMITGBLKRS-HIFRSBDPSA-N 0 3 243.350 3.378 20 0 BGADHN C[C@@H]1CN([C@@H]2C=CCCC2)Cc2ccccc2O1 ZINC000429162405 201076017 /nfs/dbraw/zinc/07/60/17/201076017.db2.gz LCHNIMITGBLKRS-UKRRQHHQSA-N 0 3 243.350 3.378 20 0 BGADHN C[C@H]1CN([C@H]2C=CCCC2)Cc2ccccc2O1 ZINC000429162406 201076072 /nfs/dbraw/zinc/07/60/72/201076072.db2.gz LCHNIMITGBLKRS-ZFWWWQNUSA-N 0 3 243.350 3.378 20 0 BGADHN Cc1ncsc1CN(C1CCC1)C1CCC1 ZINC000429162735 201076836 /nfs/dbraw/zinc/07/68/36/201076836.db2.gz SUKROHLXNGRBKN-UHFFFAOYSA-N 0 3 236.384 3.359 20 0 BGADHN Cc1cccc(CN(C2CCC2)C2CCC2)n1 ZINC000429168877 201075766 /nfs/dbraw/zinc/07/57/66/201075766.db2.gz GCGFHJIRJSIOLI-UHFFFAOYSA-N 0 3 230.355 3.297 20 0 BGADHN Cc1noc(C)c1CN(C1CCC1)C1CCC1 ZINC000429173356 201077338 /nfs/dbraw/zinc/07/73/38/201077338.db2.gz VJIJWDWVESBNPH-UHFFFAOYSA-N 0 3 234.343 3.198 20 0 BGADHN COCC(C)(C)N(C)C/C=C\c1ccccc1 ZINC000429224455 201080630 /nfs/dbraw/zinc/08/06/30/201080630.db2.gz ARJHTHHAQFDABU-FLIBITNWSA-N 0 3 233.355 3.057 20 0 BGADHN COCC(C)(C)N(C)Cc1cc(C)sc1C ZINC000429230204 387830598 /nfs/dbraw/zinc/83/05/98/387830598.db2.gz XXVOJQCPBQETLK-UHFFFAOYSA-N 0 3 241.400 3.222 20 0 BGADHN COCC(C)(C)N(C)Cc1cccc(Cl)c1 ZINC000429265669 201082323 /nfs/dbraw/zinc/08/23/23/201082323.db2.gz UCSIEOPREGKLCU-UHFFFAOYSA-N 0 3 241.762 3.197 20 0 BGADHN CCOCCCNC(C)(C)c1ccccc1F ZINC000429267533 201085408 /nfs/dbraw/zinc/08/54/08/201085408.db2.gz YASLHKHJAVWGLU-UHFFFAOYSA-N 0 3 239.334 3.077 20 0 BGADHN CCOc1ccccc1CN1CC[C@H]1CC ZINC000429269021 201085303 /nfs/dbraw/zinc/08/53/03/201085303.db2.gz BPAACQWIDXFLBR-CYBMUJFWSA-N 0 3 219.328 3.070 20 0 BGADHN CCOc1ccccc1CN1CC[C@@H]1CC ZINC000429269022 201086692 /nfs/dbraw/zinc/08/66/92/201086692.db2.gz BPAACQWIDXFLBR-ZDUSSCGKSA-N 0 3 219.328 3.070 20 0 BGADHN CC[C@H]1CCN1Cc1cccc2c1OC(C)(C)C2 ZINC000429270104 201084786 /nfs/dbraw/zinc/08/47/86/201084786.db2.gz FFEVMQVBUXCDFB-AWEZNQCLSA-N 0 3 245.366 3.384 20 0 BGADHN CC[C@@H]1CCN1Cc1cccc2c1OC(C)(C)C2 ZINC000429270109 201086766 /nfs/dbraw/zinc/08/67/66/201086766.db2.gz FFEVMQVBUXCDFB-CQSZACIVSA-N 0 3 245.366 3.384 20 0 BGADHN COCC(C)(C)N(C)Cc1ccc(Cl)cc1 ZINC000429271002 201085575 /nfs/dbraw/zinc/08/55/75/201085575.db2.gz YYQKWEVUGZZOEJ-UHFFFAOYSA-N 0 3 241.762 3.197 20 0 BGADHN CC[C@@H]1CCN1Cc1ccc(SC)cc1 ZINC000429273099 201087831 /nfs/dbraw/zinc/08/78/31/201087831.db2.gz LYRCCTDORMFUGQ-GFCCVEGCSA-N 0 3 221.369 3.393 20 0 BGADHN CC[C@H]1CCN1Cc1ccc(SC)cc1 ZINC000429273101 201090150 /nfs/dbraw/zinc/09/01/50/201090150.db2.gz LYRCCTDORMFUGQ-LBPRGKRZSA-N 0 3 221.369 3.393 20 0 BGADHN CC[C@@H]1CCN1Cc1ccc(F)cc1C ZINC000429276758 201089738 /nfs/dbraw/zinc/08/97/38/201089738.db2.gz URJCLEBUNCZEQJ-CYBMUJFWSA-N 0 3 207.292 3.118 20 0 BGADHN CC[C@H]1CCN1Cc1ccc(F)cc1C ZINC000429276760 201090394 /nfs/dbraw/zinc/09/03/94/201090394.db2.gz URJCLEBUNCZEQJ-ZDUSSCGKSA-N 0 3 207.292 3.118 20 0 BGADHN CC[C@@H]1CCN1Cc1cc(C)sc1C ZINC000429277243 201088542 /nfs/dbraw/zinc/08/85/42/201088542.db2.gz VJNMRRSMQPIBAD-GFCCVEGCSA-N 0 3 209.358 3.349 20 0 BGADHN CC[C@H]1CCN1Cc1cc(C)sc1C ZINC000429277246 201088630 /nfs/dbraw/zinc/08/86/30/201088630.db2.gz VJNMRRSMQPIBAD-LBPRGKRZSA-N 0 3 209.358 3.349 20 0 BGADHN CC[C@H]1CCN1Cc1ccc(OC(C)C)cc1 ZINC000429277883 201089417 /nfs/dbraw/zinc/08/94/17/201089417.db2.gz HOJDFENVYYIPDJ-AWEZNQCLSA-N 0 3 233.355 3.458 20 0 BGADHN CC[C@@H]1CCN1Cc1ccc(OC(C)C)cc1 ZINC000429277887 201087794 /nfs/dbraw/zinc/08/77/94/201087794.db2.gz HOJDFENVYYIPDJ-CQSZACIVSA-N 0 3 233.355 3.458 20 0 BGADHN CSC[C@@H]1CCCN(CCC(F)(F)F)C1 ZINC000429278256 201088494 /nfs/dbraw/zinc/08/84/94/201088494.db2.gz XVLWTFJQOXUNNV-SECBINFHSA-N 0 3 241.322 3.014 20 0 BGADHN CSC[C@H]1CCCN(CCC(F)(F)F)C1 ZINC000429278263 201088478 /nfs/dbraw/zinc/08/84/78/201088478.db2.gz XVLWTFJQOXUNNV-VIFPVBQESA-N 0 3 241.322 3.014 20 0 BGADHN CC[C@H]1CCN1Cc1ccccc1OC(C)C ZINC000429279845 201090406 /nfs/dbraw/zinc/09/04/06/201090406.db2.gz NCMURUWRWPUIHP-AWEZNQCLSA-N 0 3 233.355 3.458 20 0 BGADHN CC[C@@H]1CCN1Cc1ccccc1OC(C)C ZINC000429279847 201089157 /nfs/dbraw/zinc/08/91/57/201089157.db2.gz NCMURUWRWPUIHP-CQSZACIVSA-N 0 3 233.355 3.458 20 0 BGADHN CCOc1ccc(CN2CC[C@H]2CC)cc1 ZINC000429280234 201082350 /nfs/dbraw/zinc/08/23/50/201082350.db2.gz XUGIXWOYQNBHNI-CYBMUJFWSA-N 0 3 219.328 3.070 20 0 BGADHN CCOc1ccc(CN2CC[C@@H]2CC)cc1 ZINC000429280236 201082100 /nfs/dbraw/zinc/08/21/00/201082100.db2.gz XUGIXWOYQNBHNI-ZDUSSCGKSA-N 0 3 219.328 3.070 20 0 BGADHN CC[C@@H]1CCN1Cc1ccc(OC(F)F)cc1 ZINC000429281451 201091487 /nfs/dbraw/zinc/09/14/87/201091487.db2.gz BXYPPQZNXAJNCK-LLVKDONJSA-N 0 3 241.281 3.272 20 0 BGADHN CC[C@H]1CCN1Cc1ccc(OC(F)F)cc1 ZINC000429281454 201093787 /nfs/dbraw/zinc/09/37/87/201093787.db2.gz BXYPPQZNXAJNCK-NSHDSACASA-N 0 3 241.281 3.272 20 0 BGADHN CC[C@H]1CCN1Cc1cccc(OC(C)C)c1 ZINC000429281994 201090899 /nfs/dbraw/zinc/09/08/99/201090899.db2.gz YVFBNQBPXBBMDR-AWEZNQCLSA-N 0 3 233.355 3.458 20 0 BGADHN CC[C@@H]1CCN1Cc1cccc(OC(C)C)c1 ZINC000429281995 201090782 /nfs/dbraw/zinc/09/07/82/201090782.db2.gz YVFBNQBPXBBMDR-CQSZACIVSA-N 0 3 233.355 3.458 20 0 BGADHN CC[C@@H]1CCN1CCOC1CCCCCC1 ZINC000429286840 201093304 /nfs/dbraw/zinc/09/33/04/201093304.db2.gz RSCAEFWBCOGOJB-CYBMUJFWSA-N 0 3 225.376 3.210 20 0 BGADHN CC[C@H]1CCN1CCOC1CCCCCC1 ZINC000429286841 201090741 /nfs/dbraw/zinc/09/07/41/201090741.db2.gz RSCAEFWBCOGOJB-ZDUSSCGKSA-N 0 3 225.376 3.210 20 0 BGADHN CC[C@@H]1CCN1C/C=C\c1ccccc1 ZINC000429287305 201091188 /nfs/dbraw/zinc/09/11/88/201091188.db2.gz MJAYWQFXFMVYBS-DEBLGDTFSA-N 0 3 201.313 3.184 20 0 BGADHN CC[C@H]1CCN1C/C=C/c1ccccc1 ZINC000429287306 201091207 /nfs/dbraw/zinc/09/12/07/201091207.db2.gz MJAYWQFXFMVYBS-MRZGDXHCSA-N 0 3 201.313 3.184 20 0 BGADHN CC[C@H]1CCN1C/C=C\c1ccccc1 ZINC000429287307 201092603 /nfs/dbraw/zinc/09/26/03/201092603.db2.gz MJAYWQFXFMVYBS-PIZKADEWSA-N 0 3 201.313 3.184 20 0 BGADHN CC[C@@H]1CCN1C/C=C/c1ccccc1 ZINC000429287308 201091612 /nfs/dbraw/zinc/09/16/12/201091612.db2.gz MJAYWQFXFMVYBS-VIIAAUOXSA-N 0 3 201.313 3.184 20 0 BGADHN CC[C@@H]1CCN1Cc1cc(F)ccc1C ZINC000429288035 201092659 /nfs/dbraw/zinc/09/26/59/201092659.db2.gz AJZXMCHLZGDJKJ-CYBMUJFWSA-N 0 3 207.292 3.118 20 0 BGADHN CC[C@H]1CCN1Cc1cc(F)ccc1C ZINC000429288038 201093237 /nfs/dbraw/zinc/09/32/37/201093237.db2.gz AJZXMCHLZGDJKJ-ZDUSSCGKSA-N 0 3 207.292 3.118 20 0 BGADHN CC[C@@H]1CCN1Cc1cc2ccccc2o1 ZINC000429288522 201093956 /nfs/dbraw/zinc/09/39/56/201093956.db2.gz WJLDKJMFADNGKA-GFCCVEGCSA-N 0 3 215.296 3.417 20 0 BGADHN CC[C@H]1CCN1Cc1cc2ccccc2o1 ZINC000429288523 201097090 /nfs/dbraw/zinc/09/70/90/201097090.db2.gz WJLDKJMFADNGKA-LBPRGKRZSA-N 0 3 215.296 3.417 20 0 BGADHN CCSCCN(C)Cc1cc(C)ccc1C ZINC000429289229 201096722 /nfs/dbraw/zinc/09/67/22/201096722.db2.gz CVEIJUIWWUBVSL-UHFFFAOYSA-N 0 3 237.412 3.488 20 0 BGADHN CC[C@H]1CCN1C[C@@H]1CCC2(CCCCC2)O1 ZINC000429289356 201096077 /nfs/dbraw/zinc/09/60/77/201096077.db2.gz CCTDMYZWDBWXRU-KBPBESRZSA-N 0 3 237.387 3.353 20 0 BGADHN CC[C@@H]1CCN1C[C@@H]1CCC2(CCCCC2)O1 ZINC000429289358 201093946 /nfs/dbraw/zinc/09/39/46/201093946.db2.gz CCTDMYZWDBWXRU-KGLIPLIRSA-N 0 3 237.387 3.353 20 0 BGADHN CC[C@H]1CCN1C[C@H]1CCC2(CCCCC2)O1 ZINC000429289360 201096692 /nfs/dbraw/zinc/09/66/92/201096692.db2.gz CCTDMYZWDBWXRU-UONOGXRCSA-N 0 3 237.387 3.353 20 0 BGADHN CC[C@@H]1CCN1C[C@H]1CCC2(CCCCC2)O1 ZINC000429289362 201094670 /nfs/dbraw/zinc/09/46/70/201094670.db2.gz CCTDMYZWDBWXRU-ZIAGYGMSSA-N 0 3 237.387 3.353 20 0 BGADHN CC[C@H]1CCN1Cc1ccc2c(c1)CCC2 ZINC000429290237 201096353 /nfs/dbraw/zinc/09/63/53/201096353.db2.gz YVCYTDWCYOMIGF-HNNXBMFYSA-N 0 3 215.340 3.160 20 0 BGADHN CC[C@@H]1CCN1Cc1ccc2c(c1)CCC2 ZINC000429290238 201096310 /nfs/dbraw/zinc/09/63/10/201096310.db2.gz YVCYTDWCYOMIGF-OAHLLOKOSA-N 0 3 215.340 3.160 20 0 BGADHN Cc1ccc(C)c(CN(C)C[C@H]2CC[C@@H](C)O2)c1 ZINC000429291341 201096902 /nfs/dbraw/zinc/09/69/02/201096902.db2.gz GAYIMXULEJFEEX-GDBMZVCRSA-N 0 3 247.382 3.303 20 0 BGADHN Cc1ccc(C)c(CN(C)C[C@H]2CC[C@H](C)O2)c1 ZINC000429291342 201094282 /nfs/dbraw/zinc/09/42/82/201094282.db2.gz GAYIMXULEJFEEX-GOEBONIOSA-N 0 3 247.382 3.303 20 0 BGADHN Cc1ccc(C)c(CN(C)C[C@@H]2CC[C@H](C)O2)c1 ZINC000429291343 201096530 /nfs/dbraw/zinc/09/65/30/201096530.db2.gz GAYIMXULEJFEEX-HOCLYGCPSA-N 0 3 247.382 3.303 20 0 BGADHN Cc1ccc(C)c(CN(C)C[C@@H]2CC[C@@H](C)O2)c1 ZINC000429291345 201094862 /nfs/dbraw/zinc/09/48/62/201094862.db2.gz GAYIMXULEJFEEX-ZBFHGGJFSA-N 0 3 247.382 3.303 20 0 BGADHN CC[C@H]1CCN1Cc1cc(F)cc2cccnc21 ZINC000429291770 201095631 /nfs/dbraw/zinc/09/56/31/201095631.db2.gz GRILVTLEIWHTGT-AWEZNQCLSA-N 0 3 244.313 3.358 20 0 BGADHN CC[C@@H]1CCN1Cc1cc(F)cc2cccnc21 ZINC000429291771 201097048 /nfs/dbraw/zinc/09/70/48/201097048.db2.gz GRILVTLEIWHTGT-CQSZACIVSA-N 0 3 244.313 3.358 20 0 BGADHN CC[C@@H]1CCN1Cc1ccc(F)c2cccnc12 ZINC000429294284 201096105 /nfs/dbraw/zinc/09/61/05/201096105.db2.gz LZOARNWQFOXVGK-GFCCVEGCSA-N 0 3 244.313 3.358 20 0 BGADHN CC[C@H]1CCN1Cc1ccc(F)c2cccnc12 ZINC000429294287 192028364 /nfs/dbraw/zinc/02/83/64/192028364.db2.gz LZOARNWQFOXVGK-LBPRGKRZSA-N 0 3 244.313 3.358 20 0 BGADHN CCc1cccc(CN2CC[C@@H]2CC)c1 ZINC000429302264 201098022 /nfs/dbraw/zinc/09/80/22/201098022.db2.gz ROLLCIYUKUHXQU-AWEZNQCLSA-N 0 3 203.329 3.233 20 0 BGADHN CCc1cccc(CN2CC[C@H]2CC)c1 ZINC000429302265 201098484 /nfs/dbraw/zinc/09/84/84/201098484.db2.gz ROLLCIYUKUHXQU-CQSZACIVSA-N 0 3 203.329 3.233 20 0 BGADHN CC(C)CCCN1CCc2ccc(O)cc2C1 ZINC000429329408 201101998 /nfs/dbraw/zinc/10/19/98/201101998.db2.gz QLVIIEJQFIAOEW-UHFFFAOYSA-N 0 3 233.355 3.187 20 0 BGADHN CC(C)CCCN(Cc1ccncc1)C1CC1 ZINC000429337635 201101374 /nfs/dbraw/zinc/10/13/74/201101374.db2.gz UXZCXJSNEXDTEE-UHFFFAOYSA-N 0 3 232.371 3.482 20 0 BGADHN CC(C)CCCN1CCOCC12CCCC2 ZINC000429338700 201101452 /nfs/dbraw/zinc/10/14/52/201101452.db2.gz YROFRROCLIWMDA-UHFFFAOYSA-N 0 3 225.376 3.068 20 0 BGADHN COc1cccc2c1CCN(CCCC(C)C)C2 ZINC000429343874 201100408 /nfs/dbraw/zinc/10/04/08/201100408.db2.gz JMCFKTYWJGGFKX-UHFFFAOYSA-N 0 3 247.382 3.490 20 0 BGADHN Cc1ccoc1CN(C)CCC(C)(C)C ZINC000429355284 201102645 /nfs/dbraw/zinc/10/26/45/201102645.db2.gz QLNDCWYHLHIARJ-UHFFFAOYSA-N 0 3 209.333 3.456 20 0 BGADHN Cc1ccoc1CN(C)CCCc1ccncc1 ZINC000429405868 201107019 /nfs/dbraw/zinc/10/70/19/201107019.db2.gz SOCPVOACYDTVSF-UHFFFAOYSA-N 0 3 244.338 3.048 20 0 BGADHN CC/C=C/CCN(C)Cc1occc1C ZINC000429409245 201105419 /nfs/dbraw/zinc/10/54/19/201105419.db2.gz ONCHZTUCFRSHPT-AATRIKPKSA-N 0 3 207.317 3.376 20 0 BGADHN CC/C=C\CCN(C)Cc1occc1C ZINC000429409247 201107473 /nfs/dbraw/zinc/10/74/73/201107473.db2.gz ONCHZTUCFRSHPT-WAYWQWQTSA-N 0 3 207.317 3.376 20 0 BGADHN COC1(C[C@@H](C)Nc2cc(C)cc(C)n2)CCC1 ZINC000429415951 201105915 /nfs/dbraw/zinc/10/59/15/201105915.db2.gz JLILMZOPQXSOFJ-CYBMUJFWSA-N 0 3 248.370 3.458 20 0 BGADHN COC1(C[C@H](C)Nc2cc(C)cc(C)n2)CCC1 ZINC000429415952 201107310 /nfs/dbraw/zinc/10/73/10/201107310.db2.gz JLILMZOPQXSOFJ-ZDUSSCGKSA-N 0 3 248.370 3.458 20 0 BGADHN CC(C)n1cc([C@H](C)N[C@@H]2CC23CCCC3)cn1 ZINC000429429199 201108033 /nfs/dbraw/zinc/10/80/33/201108033.db2.gz JRSPMTKCNSLWKR-GXTWGEPZSA-N 0 3 247.386 3.447 20 0 BGADHN CC(C)n1cc([C@H](C)N[C@H]2CC23CCCC3)cn1 ZINC000429429201 201108463 /nfs/dbraw/zinc/10/84/63/201108463.db2.gz JRSPMTKCNSLWKR-JSGCOSHPSA-N 0 3 247.386 3.447 20 0 BGADHN CC(C)n1cc([C@@H](C)N[C@H]2CC23CCCC3)cn1 ZINC000429429203 201107887 /nfs/dbraw/zinc/10/78/87/201107887.db2.gz JRSPMTKCNSLWKR-OCCSQVGLSA-N 0 3 247.386 3.447 20 0 BGADHN CC(C)n1cc([C@@H](C)N[C@@H]2CC23CCCC3)cn1 ZINC000429429204 201109030 /nfs/dbraw/zinc/10/90/30/201109030.db2.gz JRSPMTKCNSLWKR-TZMCWYRMSA-N 0 3 247.386 3.447 20 0 BGADHN CCc1noc(C)c1CN(C)[C@@H]1CC[C@H](C)C1 ZINC000429555652 201115517 /nfs/dbraw/zinc/11/55/17/201115517.db2.gz BCKIDFKNXAYBQU-CMPLNLGQSA-N 0 3 236.359 3.166 20 0 BGADHN CCc1noc(C)c1CN(C)[C@H]1CC[C@H](C)C1 ZINC000429555653 201115130 /nfs/dbraw/zinc/11/51/30/201115130.db2.gz BCKIDFKNXAYBQU-JQWIXIFHSA-N 0 3 236.359 3.166 20 0 BGADHN CCc1noc(C)c1CN(C)[C@H]1CC[C@@H](C)C1 ZINC000429555655 201114468 /nfs/dbraw/zinc/11/44/68/201114468.db2.gz BCKIDFKNXAYBQU-PWSUYJOCSA-N 0 3 236.359 3.166 20 0 BGADHN CCc1noc(C)c1CN(C)[C@@H]1CC[C@@H](C)C1 ZINC000429555657 201116394 /nfs/dbraw/zinc/11/63/94/201116394.db2.gz BCKIDFKNXAYBQU-ZYHUDNBSSA-N 0 3 236.359 3.166 20 0 BGADHN CCCCOCCN1CCc2cccc(C)c2C1 ZINC000429557127 201113985 /nfs/dbraw/zinc/11/39/85/201113985.db2.gz BMLXFHYZRMGPBD-UHFFFAOYSA-N 0 3 247.382 3.170 20 0 BGADHN Cc1nc(CN(C)[C@@H]2CC[C@@H](C)C2)sc1C ZINC000429561635 201116169 /nfs/dbraw/zinc/11/61/69/201116169.db2.gz RSDNDYAEVOUABQ-BXKDBHETSA-N 0 3 238.400 3.380 20 0 BGADHN Cc1nc(CN(C)[C@H]2CC[C@H](C)C2)sc1C ZINC000429561636 201116339 /nfs/dbraw/zinc/11/63/39/201116339.db2.gz RSDNDYAEVOUABQ-CABZTGNLSA-N 0 3 238.400 3.380 20 0 BGADHN Cc1nc(CN(C)[C@@H]2CC[C@H](C)C2)sc1C ZINC000429561637 201116229 /nfs/dbraw/zinc/11/62/29/201116229.db2.gz RSDNDYAEVOUABQ-JOYOIKCWSA-N 0 3 238.400 3.380 20 0 BGADHN Cc1nc(CN(C)[C@H]2CC[C@@H](C)C2)sc1C ZINC000429561638 201113795 /nfs/dbraw/zinc/11/37/95/201113795.db2.gz RSDNDYAEVOUABQ-SKDRFNHKSA-N 0 3 238.400 3.380 20 0 BGADHN CCSCCN1CCc2cccc(C)c2C1 ZINC000429561909 201115002 /nfs/dbraw/zinc/11/50/02/201115002.db2.gz TXFQOECYIRTNQU-UHFFFAOYSA-N 0 3 235.396 3.106 20 0 BGADHN Cc1cccc2c1CN(CCOC(C)(C)C)CC2 ZINC000429563148 201113995 /nfs/dbraw/zinc/11/39/95/201113995.db2.gz BITMRRNWTBPUBV-UHFFFAOYSA-N 0 3 247.382 3.168 20 0 BGADHN CCOc1cccc(CN(C)[C@@H]2CC[C@H](C)C2)n1 ZINC000429569942 201119983 /nfs/dbraw/zinc/11/99/83/201119983.db2.gz VISJUFMZGWCEEO-GXTWGEPZSA-N 0 3 248.370 3.101 20 0 BGADHN CCOc1cccc(CN(C)[C@H]2CC[C@H](C)C2)n1 ZINC000429569943 201117520 /nfs/dbraw/zinc/11/75/20/201117520.db2.gz VISJUFMZGWCEEO-JSGCOSHPSA-N 0 3 248.370 3.101 20 0 BGADHN CCOc1cccc(CN(C)[C@H]2CC[C@@H](C)C2)n1 ZINC000429569945 201118951 /nfs/dbraw/zinc/11/89/51/201118951.db2.gz VISJUFMZGWCEEO-OCCSQVGLSA-N 0 3 248.370 3.101 20 0 BGADHN CCOc1cccc(CN(C)[C@@H]2CC[C@@H](C)C2)n1 ZINC000429569947 201117922 /nfs/dbraw/zinc/11/79/22/201117922.db2.gz VISJUFMZGWCEEO-TZMCWYRMSA-N 0 3 248.370 3.101 20 0 BGADHN C[C@@H]1CC[C@H](N(C)Cc2nc3ccccc3[nH]2)C1 ZINC000429575301 201118202 /nfs/dbraw/zinc/11/82/02/201118202.db2.gz CQFUIOZIKBRIQU-NEPJUHHUSA-N 0 3 243.354 3.183 20 0 BGADHN C[C@H]1CC[C@@H](N(C)Cc2nc3ccccc3[nH]2)C1 ZINC000429575303 201118774 /nfs/dbraw/zinc/11/87/74/201118774.db2.gz CQFUIOZIKBRIQU-NWDGAFQWSA-N 0 3 243.354 3.183 20 0 BGADHN C[C@H]1CC[C@H](N(C)Cc2nc3ccccc3[nH]2)C1 ZINC000429575305 201120112 /nfs/dbraw/zinc/12/01/12/201120112.db2.gz CQFUIOZIKBRIQU-RYUDHWBXSA-N 0 3 243.354 3.183 20 0 BGADHN C[C@@H]1CC[C@@H](N(C)Cc2nc3ccccc3[nH]2)C1 ZINC000429575306 201119870 /nfs/dbraw/zinc/11/98/70/201119870.db2.gz CQFUIOZIKBRIQU-VXGBXAGGSA-N 0 3 243.354 3.183 20 0 BGADHN Cc1cccc2c1CN(CCCOC(C)C)CC2 ZINC000429586013 201122098 /nfs/dbraw/zinc/12/20/98/201122098.db2.gz VCRFGXJBSRYNJP-UHFFFAOYSA-N 0 3 247.382 3.168 20 0 BGADHN COc1cc(C)nc(CN(C)[C@@H]2CC[C@@H](C)C2)c1 ZINC000429586732 201121673 /nfs/dbraw/zinc/12/16/73/201121673.db2.gz CUUSRFJIPVXIRQ-BXUZGUMPSA-N 0 3 248.370 3.019 20 0 BGADHN COc1cc(C)nc(CN(C)[C@H]2CC[C@H](C)C2)c1 ZINC000429586734 201122110 /nfs/dbraw/zinc/12/21/10/201122110.db2.gz CUUSRFJIPVXIRQ-FZMZJTMJSA-N 0 3 248.370 3.019 20 0 BGADHN COc1cc(C)nc(CN(C)[C@H]2CC[C@@H](C)C2)c1 ZINC000429586736 201122245 /nfs/dbraw/zinc/12/22/45/201122245.db2.gz CUUSRFJIPVXIRQ-RISCZKNCSA-N 0 3 248.370 3.019 20 0 BGADHN COc1cc(C)nc(CN(C)[C@@H]2CC[C@H](C)C2)c1 ZINC000429586737 201121461 /nfs/dbraw/zinc/12/14/61/201121461.db2.gz CUUSRFJIPVXIRQ-SMDDNHRTSA-N 0 3 248.370 3.019 20 0 BGADHN CCn1nccc1CN(C)CC1CCCCCC1 ZINC000429727244 201129608 /nfs/dbraw/zinc/12/96/08/201129608.db2.gz UWWZACIQBGMHPS-UHFFFAOYSA-N 0 3 249.402 3.305 20 0 BGADHN CC[C@@H]1CCC[C@@H]1NCc1nc2ccccc2o1 ZINC000429792068 398224937 /nfs/dbraw/zinc/22/49/37/398224937.db2.gz WUFJUBAIWDUEPK-NEPJUHHUSA-N 0 3 244.338 3.496 20 0 BGADHN CC[C@H]1CCC[C@H]1NCc1nc2ccccc2o1 ZINC000429792070 398225401 /nfs/dbraw/zinc/22/54/01/398225401.db2.gz WUFJUBAIWDUEPK-NWDGAFQWSA-N 0 3 244.338 3.496 20 0 BGADHN CC[C@H]1CCC[C@@H]1NCc1nc2ccccc2o1 ZINC000429792072 398225296 /nfs/dbraw/zinc/22/52/96/398225296.db2.gz WUFJUBAIWDUEPK-RYUDHWBXSA-N 0 3 244.338 3.496 20 0 BGADHN CC[C@@H]1CCC[C@H]1NCc1nc2ccccc2o1 ZINC000429792073 398225116 /nfs/dbraw/zinc/22/51/16/398225116.db2.gz WUFJUBAIWDUEPK-VXGBXAGGSA-N 0 3 244.338 3.496 20 0 BGADHN CCN(CCOC)Cc1ccc2c(c1)CCCC2 ZINC000430017433 201137775 /nfs/dbraw/zinc/13/77/75/201137775.db2.gz ADNGPMMRYCWVPK-UHFFFAOYSA-N 0 3 247.382 3.034 20 0 BGADHN c1cc2c(cc1CN1CCSCC1)CCCC2 ZINC000430020482 201139168 /nfs/dbraw/zinc/13/91/68/201139168.db2.gz ZLMBDLGIZYRMFD-UHFFFAOYSA-N 0 3 247.407 3.114 20 0 BGADHN CC[C@@H](C)CNCc1c(F)cc(F)c(F)c1F ZINC000430026007 201138263 /nfs/dbraw/zinc/13/82/63/201138263.db2.gz MDNXYSSLSNTOHV-SSDOTTSWSA-N 0 3 249.251 3.379 20 0 BGADHN CC[C@H](C)CNCc1c(F)cc(F)c(F)c1F ZINC000430026009 201139039 /nfs/dbraw/zinc/13/90/39/201139039.db2.gz MDNXYSSLSNTOHV-ZETCQYMHSA-N 0 3 249.251 3.379 20 0 BGADHN CO[C@H](C)CN(C)Cc1ccc2c(c1)CCCC2 ZINC000430061591 201139831 /nfs/dbraw/zinc/13/98/31/201139831.db2.gz QUUVZMHPQXTQFE-CYBMUJFWSA-N 0 3 247.382 3.032 20 0 BGADHN CO[C@@H](C)CN(C)Cc1ccc2c(c1)CCCC2 ZINC000430061593 201140454 /nfs/dbraw/zinc/14/04/54/201140454.db2.gz QUUVZMHPQXTQFE-ZDUSSCGKSA-N 0 3 247.382 3.032 20 0 BGADHN CCOCCN(C)Cc1ccc2c(c1)CCCC2 ZINC000430076045 191304221 /nfs/dbraw/zinc/30/42/21/191304221.db2.gz JDOLPUMNWCRUCR-UHFFFAOYSA-N 0 3 247.382 3.034 20 0 BGADHN C[C@@H]1C[C@H](N[C@@H]2c3ccccc3O[C@@H]2C)[C@@H]1C ZINC000430079333 201142775 /nfs/dbraw/zinc/14/27/75/201142775.db2.gz LWOQPIZOLQWVHL-FHEMJXCISA-N 0 3 231.339 3.143 20 0 BGADHN C[C@@H]1C[C@H](N[C@@H]2c3ccccc3O[C@@H]2C)[C@H]1C ZINC000430079336 201142084 /nfs/dbraw/zinc/14/20/84/201142084.db2.gz LWOQPIZOLQWVHL-LIIPTPMRSA-N 0 3 231.339 3.143 20 0 BGADHN C[C@@H]1C[C@H](N[C@@H]2c3ccccc3O[C@H]2C)[C@H]1C ZINC000430079339 201142108 /nfs/dbraw/zinc/14/21/08/201142108.db2.gz LWOQPIZOLQWVHL-NEQUNRTCSA-N 0 3 231.339 3.143 20 0 BGADHN C[C@@H]1C[C@H](N[C@@H]2c3ccccc3O[C@H]2C)[C@@H]1C ZINC000430079340 201142932 /nfs/dbraw/zinc/14/29/32/201142932.db2.gz LWOQPIZOLQWVHL-SGOHARFASA-N 0 3 231.339 3.143 20 0 BGADHN CC1CN(Cc2ccc3c(c2)CCCC3)C1 ZINC000430079499 201140692 /nfs/dbraw/zinc/14/06/92/201140692.db2.gz RRXDPFACKSEKGI-UHFFFAOYSA-N 0 3 215.340 3.017 20 0 BGADHN Cc1ncccc1CN1CC2(CCC2)[C@@H]1C(C)C ZINC000430083125 201142581 /nfs/dbraw/zinc/14/25/81/201142581.db2.gz GMKKVOYEXFVUAB-HNNXBMFYSA-N 0 3 244.382 3.401 20 0 BGADHN Cc1ncccc1CN1CC2(CCC2)[C@H]1C(C)C ZINC000430083126 201143061 /nfs/dbraw/zinc/14/30/61/201143061.db2.gz GMKKVOYEXFVUAB-OAHLLOKOSA-N 0 3 244.382 3.401 20 0 BGADHN C[C@H]1C[C@H]1CNCc1ccc(C2CC2)cc1F ZINC000430088240 201142861 /nfs/dbraw/zinc/14/28/61/201142861.db2.gz JQRKHYUMOBBEOS-HZMBPMFUSA-N 0 3 233.330 3.449 20 0 BGADHN C[C@H]1C[C@@H]1CNCc1ccc(C2CC2)cc1F ZINC000430088242 201142265 /nfs/dbraw/zinc/14/22/65/201142265.db2.gz JQRKHYUMOBBEOS-IINYFYTJSA-N 0 3 233.330 3.449 20 0 BGADHN C[C@@H]1C[C@@H]1CNCc1ccc(C2CC2)cc1F ZINC000430088244 201142714 /nfs/dbraw/zinc/14/27/14/201142714.db2.gz JQRKHYUMOBBEOS-QMTHXVAHSA-N 0 3 233.330 3.449 20 0 BGADHN C[C@@H]1C[C@H]1CNCc1ccc(C2CC2)cc1F ZINC000430088245 201143549 /nfs/dbraw/zinc/14/35/49/201143549.db2.gz JQRKHYUMOBBEOS-YGRLFVJLSA-N 0 3 233.330 3.449 20 0 BGADHN Cc1ccc(CN2CC3(CCC3)[C@@H]2C(C)C)cn1 ZINC000430090503 201143664 /nfs/dbraw/zinc/14/36/64/201143664.db2.gz RQDOIYGCHDZKJL-HNNXBMFYSA-N 0 3 244.382 3.401 20 0 BGADHN Cc1ccc(CN2CC3(CCC3)[C@H]2C(C)C)cn1 ZINC000430090504 201142503 /nfs/dbraw/zinc/14/25/03/201142503.db2.gz RQDOIYGCHDZKJL-OAHLLOKOSA-N 0 3 244.382 3.401 20 0 BGADHN CC(C)[C@H]1N(Cc2ccco2)CC12CCC2 ZINC000430091958 191315199 /nfs/dbraw/zinc/31/51/99/191315199.db2.gz VRLDSRZHXVXQMJ-CYBMUJFWSA-N 0 3 219.328 3.290 20 0 BGADHN CC(C)[C@@H]1N(Cc2ccco2)CC12CCC2 ZINC000430091959 191315382 /nfs/dbraw/zinc/31/53/82/191315382.db2.gz VRLDSRZHXVXQMJ-ZDUSSCGKSA-N 0 3 219.328 3.290 20 0 BGADHN C[C@@H]1C[C@@H]1CN1CC(C)(C)[C@@H]1c1cccnc1 ZINC000430093488 201142373 /nfs/dbraw/zinc/14/23/73/201142373.db2.gz FOIMABQVORWUBL-BNOWGMLFSA-N 0 3 230.355 3.121 20 0 BGADHN C[C@@H]1C[C@H]1CN1CC(C)(C)[C@H]1c1cccnc1 ZINC000430093489 201142295 /nfs/dbraw/zinc/14/22/95/201142295.db2.gz FOIMABQVORWUBL-KWCYVHTRSA-N 0 3 230.355 3.121 20 0 BGADHN C[C@@H]1C[C@@H]1CN1CC(C)(C)[C@H]1c1cccnc1 ZINC000430093490 201143439 /nfs/dbraw/zinc/14/34/39/201143439.db2.gz FOIMABQVORWUBL-MRVWCRGKSA-N 0 3 230.355 3.121 20 0 BGADHN C[C@@H]1C[C@H]1CN1CC(C)(C)[C@@H]1c1cccnc1 ZINC000430093491 398201572 /nfs/dbraw/zinc/20/15/72/398201572.db2.gz FOIMABQVORWUBL-XBFCOCLRSA-N 0 3 230.355 3.121 20 0 BGADHN Cc1ccc(CN2CC3(CCC3)[C@@H]2C(C)C)nc1 ZINC000430107399 201145472 /nfs/dbraw/zinc/14/54/72/201145472.db2.gz TUBXVDPDEXCAAO-HNNXBMFYSA-N 0 3 244.382 3.401 20 0 BGADHN Cc1ccc(CN2CC3(CCC3)[C@H]2C(C)C)nc1 ZINC000430107401 201143841 /nfs/dbraw/zinc/14/38/41/201143841.db2.gz TUBXVDPDEXCAAO-OAHLLOKOSA-N 0 3 244.382 3.401 20 0 BGADHN CC(C)[C@@H]1N(Cc2cccc(O)c2)CC12CCC2 ZINC000430109502 191325887 /nfs/dbraw/zinc/32/58/87/191325887.db2.gz YJJKEHSYHROJBG-HNNXBMFYSA-N 0 3 245.366 3.403 20 0 BGADHN CC(C)[C@H]1N(Cc2cccc(O)c2)CC12CCC2 ZINC000430109504 191326146 /nfs/dbraw/zinc/32/61/46/191326146.db2.gz YJJKEHSYHROJBG-OAHLLOKOSA-N 0 3 245.366 3.403 20 0 BGADHN Cc1cccc(CN(C)Cc2ccn(C)c2)c1C ZINC000430111562 201144339 /nfs/dbraw/zinc/14/43/39/201144339.db2.gz SBEQHIYCRAEQAG-UHFFFAOYSA-N 0 3 242.366 3.274 20 0 BGADHN COCC(C)(C)N(C)Cc1coc2ccccc12 ZINC000430115602 201145144 /nfs/dbraw/zinc/14/51/44/201145144.db2.gz AARANAYCZFCOKW-UHFFFAOYSA-N 0 3 247.338 3.290 20 0 BGADHN Cc1ccoc1CN(C)CC1(C)CCC1 ZINC000430119642 201147239 /nfs/dbraw/zinc/14/72/39/201147239.db2.gz DVKPMYPZFKLICI-UHFFFAOYSA-N 0 3 207.317 3.210 20 0 BGADHN CCCc1nc(C)c(CNCCC(C)(C)C)o1 ZINC000430131266 201147540 /nfs/dbraw/zinc/14/75/40/201147540.db2.gz VLVNTCWYOCKKFE-UHFFFAOYSA-N 0 3 238.375 3.461 20 0 BGADHN CCCn1cc(CN(C2CCC2)C2CCC2)cn1 ZINC000430136733 201147573 /nfs/dbraw/zinc/14/75/73/201147573.db2.gz JNSWVGHDRQAGPL-UHFFFAOYSA-N 0 3 247.386 3.200 20 0 BGADHN [O-]c1cc(F)cc(C[NH+](C2CCC2)C2CCC2)c1 ZINC000430140876 201148022 /nfs/dbraw/zinc/14/80/22/201148022.db2.gz VMHRQBDCBRNGOI-UHFFFAOYSA-N 0 3 249.329 3.438 20 0 BGADHN CC(C)n1cc(CN(C2CCC2)C2CCC2)cn1 ZINC000430154300 201149368 /nfs/dbraw/zinc/14/93/68/201149368.db2.gz ZUICKODZLMEGRU-UHFFFAOYSA-N 0 3 247.386 3.371 20 0 BGADHN CC[C@@H]1CCN1Cc1c[nH]nc1-c1cccs1 ZINC000430185357 201151270 /nfs/dbraw/zinc/15/12/70/201151270.db2.gz DIPRMSJKLSMWPM-LLVKDONJSA-N 0 3 247.367 3.123 20 0 BGADHN CC[C@H]1CCN1Cc1c[nH]nc1-c1cccs1 ZINC000430185360 201150263 /nfs/dbraw/zinc/15/02/63/201150263.db2.gz DIPRMSJKLSMWPM-NSHDSACASA-N 0 3 247.367 3.123 20 0 BGADHN CC[C@@H]1CCN1Cc1ccc(C)c(F)c1 ZINC000430190054 201152075 /nfs/dbraw/zinc/15/20/75/201152075.db2.gz FHPZZPNIIPMBDU-GFCCVEGCSA-N 0 3 207.292 3.118 20 0 BGADHN CC[C@H]1CCN1Cc1ccc(C)c(F)c1 ZINC000430190057 201151003 /nfs/dbraw/zinc/15/10/03/201151003.db2.gz FHPZZPNIIPMBDU-LBPRGKRZSA-N 0 3 207.292 3.118 20 0 BGADHN CC[C@@H]1CCN1Cc1coc2ccccc12 ZINC000430190120 201151171 /nfs/dbraw/zinc/15/11/71/201151171.db2.gz GIMFCYNIDZIUOC-GFCCVEGCSA-N 0 3 215.296 3.417 20 0 BGADHN CC[C@H]1CCN1Cc1coc2ccccc12 ZINC000430190121 201150493 /nfs/dbraw/zinc/15/04/93/201150493.db2.gz GIMFCYNIDZIUOC-LBPRGKRZSA-N 0 3 215.296 3.417 20 0 BGADHN CC[C@H]1CCN1Cc1ccccc1OCC1CC1 ZINC000430191135 201152588 /nfs/dbraw/zinc/15/25/88/201152588.db2.gz IEWCJWPRZAMLOR-HNNXBMFYSA-N 0 3 245.366 3.460 20 0 BGADHN CC[C@@H]1CCN1Cc1ccccc1OCC1CC1 ZINC000430191137 201150568 /nfs/dbraw/zinc/15/05/68/201150568.db2.gz IEWCJWPRZAMLOR-OAHLLOKOSA-N 0 3 245.366 3.460 20 0 BGADHN CC[C@H]1CCN1Cc1scnc1C1CC1 ZINC000430191359 201150602 /nfs/dbraw/zinc/15/06/02/201150602.db2.gz JAXLPAVZUAWYQC-JTQLQIEISA-N 0 3 222.357 3.005 20 0 BGADHN CC[C@@H]1CCN1Cc1scnc1C1CC1 ZINC000430191366 201152111 /nfs/dbraw/zinc/15/21/11/201152111.db2.gz JAXLPAVZUAWYQC-SNVBAGLBSA-N 0 3 222.357 3.005 20 0 BGADHN CC[C@@H]1CCN1Cc1cc2ccc(F)cc2[nH]1 ZINC000430191429 201152702 /nfs/dbraw/zinc/15/27/02/201152702.db2.gz GHCLKBWLHHJXDT-CYBMUJFWSA-N 0 3 232.302 3.291 20 0 BGADHN CC[C@H]1CCN1Cc1cc2ccc(F)cc2[nH]1 ZINC000430191431 201151698 /nfs/dbraw/zinc/15/16/98/201151698.db2.gz GHCLKBWLHHJXDT-ZDUSSCGKSA-N 0 3 232.302 3.291 20 0 BGADHN CCc1cc(OC)ccc1CN1CC[C@@H]1CC ZINC000430191522 201150921 /nfs/dbraw/zinc/15/09/21/201150921.db2.gz GNUUQNJBOCPNPU-AWEZNQCLSA-N 0 3 233.355 3.242 20 0 BGADHN CCc1cc(OC)ccc1CN1CC[C@H]1CC ZINC000430191523 201151714 /nfs/dbraw/zinc/15/17/14/201151714.db2.gz GNUUQNJBOCPNPU-CQSZACIVSA-N 0 3 233.355 3.242 20 0 BGADHN CC[C@@H]1CCN1Cc1ccc(F)c(C)c1 ZINC000430192941 201152915 /nfs/dbraw/zinc/15/29/15/201152915.db2.gz DUSSGXSFEWMLOR-GFCCVEGCSA-N 0 3 207.292 3.118 20 0 BGADHN CC[C@H]1CCN1Cc1ccc(F)c(C)c1 ZINC000430192943 201151040 /nfs/dbraw/zinc/15/10/40/201151040.db2.gz DUSSGXSFEWMLOR-LBPRGKRZSA-N 0 3 207.292 3.118 20 0 BGADHN CC[C@@H]1CCN1Cc1cc(C)ccc1F ZINC000430193201 201150339 /nfs/dbraw/zinc/15/03/39/201150339.db2.gz FTXSWLFFKAXHMJ-GFCCVEGCSA-N 0 3 207.292 3.118 20 0 BGADHN CC[C@H]1CCN1Cc1cc(C)ccc1F ZINC000430193202 201152673 /nfs/dbraw/zinc/15/26/73/201152673.db2.gz FTXSWLFFKAXHMJ-LBPRGKRZSA-N 0 3 207.292 3.118 20 0 BGADHN CC[C@@H]1CCN1C/C=C/c1ccc(F)c(F)c1 ZINC000430194054 201151021 /nfs/dbraw/zinc/15/10/21/201151021.db2.gz HYKHBYUSHWWUCX-AAOUONPWSA-N 0 3 237.293 3.462 20 0 BGADHN CC[C@H]1CCN1C/C=C\c1ccc(F)c(F)c1 ZINC000430194056 201150881 /nfs/dbraw/zinc/15/08/81/201150881.db2.gz HYKHBYUSHWWUCX-MVZIDQBPSA-N 0 3 237.293 3.462 20 0 BGADHN CC[C@H]1CCN1C/C=C/c1ccc(F)c(F)c1 ZINC000430194132 201152193 /nfs/dbraw/zinc/15/21/93/201152193.db2.gz HYKHBYUSHWWUCX-PCAWENJQSA-N 0 3 237.293 3.462 20 0 BGADHN CC[C@@H]1CCN1C/C=C\c1ccc(F)c(F)c1 ZINC000430194134 201150890 /nfs/dbraw/zinc/15/08/90/201150890.db2.gz HYKHBYUSHWWUCX-VSQXVHSFSA-N 0 3 237.293 3.462 20 0 BGADHN CC[C@H]1CCN1Cc1ccc(OCC2CC2)cc1 ZINC000430194771 201152608 /nfs/dbraw/zinc/15/26/08/201152608.db2.gz KXLGRSXHYUHKFR-HNNXBMFYSA-N 0 3 245.366 3.460 20 0 BGADHN CC[C@@H]1CCN1Cc1ccc(OCC2CC2)cc1 ZINC000430194772 201152136 /nfs/dbraw/zinc/15/21/36/201152136.db2.gz KXLGRSXHYUHKFR-OAHLLOKOSA-N 0 3 245.366 3.460 20 0 BGADHN CC[C@H]1CCN1Cc1cc(C)c(OC)c(C)c1 ZINC000430194901 201151815 /nfs/dbraw/zinc/15/18/15/201151815.db2.gz LFTKKHHZNJCZIA-AWEZNQCLSA-N 0 3 233.355 3.296 20 0 BGADHN CC[C@@H]1CCN1Cc1cc(C)c(OC)c(C)c1 ZINC000430194902 201150471 /nfs/dbraw/zinc/15/04/71/201150471.db2.gz LFTKKHHZNJCZIA-CQSZACIVSA-N 0 3 233.355 3.296 20 0 BGADHN CCCOc1cccc(CN2CC[C@@H]2CC)c1 ZINC000430195046 201150276 /nfs/dbraw/zinc/15/02/76/201150276.db2.gz MMUCPDGAPNNXOW-AWEZNQCLSA-N 0 3 233.355 3.460 20 0 BGADHN CCCOc1cccc(CN2CC[C@H]2CC)c1 ZINC000430195047 201151757 /nfs/dbraw/zinc/15/17/57/201151757.db2.gz MMUCPDGAPNNXOW-CQSZACIVSA-N 0 3 233.355 3.460 20 0 BGADHN CC[C@@H]1CCN1C/C=C\c1ccccc1OC ZINC000430195491 201150705 /nfs/dbraw/zinc/15/07/05/201150705.db2.gz JRAYJEDGVDRRNX-IQCBXXCUSA-N 0 3 231.339 3.193 20 0 BGADHN CC[C@H]1CCN1C/C=C\c1ccccc1OC ZINC000430195492 201152423 /nfs/dbraw/zinc/15/24/23/201152423.db2.gz JRAYJEDGVDRRNX-QPBFKRLHSA-N 0 3 231.339 3.193 20 0 BGADHN CC[C@@H]1CCN1Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000430196048 201151840 /nfs/dbraw/zinc/15/18/40/201151840.db2.gz KWQGBOYAQSJKNR-DMDPSCGWSA-N 0 3 219.328 3.387 20 0 BGADHN CC[C@@H]1CCN1Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000430196049 201151650 /nfs/dbraw/zinc/15/16/50/201151650.db2.gz KWQGBOYAQSJKNR-LOWVWBTDSA-N 0 3 219.328 3.387 20 0 BGADHN CC[C@@H]1CCN1Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000430196050 201151518 /nfs/dbraw/zinc/15/15/18/201151518.db2.gz KWQGBOYAQSJKNR-NQBHXWOUSA-N 0 3 219.328 3.387 20 0 BGADHN CC[C@@H]1CCN1Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000430196051 201151790 /nfs/dbraw/zinc/15/17/90/201151790.db2.gz KWQGBOYAQSJKNR-WZRBSPASSA-N 0 3 219.328 3.387 20 0 BGADHN CC[C@@H]1CCN1Cc1ccc2occc2c1 ZINC000430196741 201150686 /nfs/dbraw/zinc/15/06/86/201150686.db2.gz SEBWMPXFOAXMIO-CYBMUJFWSA-N 0 3 215.296 3.417 20 0 BGADHN CC[C@H]1CCN1Cc1ccc2occc2c1 ZINC000430196742 201151734 /nfs/dbraw/zinc/15/17/34/201151734.db2.gz SEBWMPXFOAXMIO-ZDUSSCGKSA-N 0 3 215.296 3.417 20 0 BGADHN CCOc1ccc(CN2CC[C@H]2CC)cc1OC ZINC000430198811 201152778 /nfs/dbraw/zinc/15/27/78/201152778.db2.gz QDGMMQQQITWOBH-CYBMUJFWSA-N 0 3 249.354 3.078 20 0 BGADHN CCOc1ccc(CN2CC[C@@H]2CC)cc1OC ZINC000430198813 201152162 /nfs/dbraw/zinc/15/21/62/201152162.db2.gz QDGMMQQQITWOBH-ZDUSSCGKSA-N 0 3 249.354 3.078 20 0 BGADHN CC[C@@H]1CCN1Cc1cc2cc(OC)ccc2o1 ZINC000430200934 201153236 /nfs/dbraw/zinc/15/32/36/201153236.db2.gz YFRRIZCBAJOHEN-GFCCVEGCSA-N 0 3 245.322 3.426 20 0 BGADHN CC[C@H]1CCN1Cc1cc2cc(OC)ccc2o1 ZINC000430200936 201154847 /nfs/dbraw/zinc/15/48/47/201154847.db2.gz YFRRIZCBAJOHEN-LBPRGKRZSA-N 0 3 245.322 3.426 20 0 BGADHN Cc1ccoc1CNCCCc1ccc(C)nc1 ZINC000430203580 201154571 /nfs/dbraw/zinc/15/45/71/201154571.db2.gz PBKLQUHGKDDOTI-UHFFFAOYSA-N 0 3 244.338 3.014 20 0 BGADHN CC[C@H]1CCN1C/C=C\c1ccc(F)cc1 ZINC000430205723 201152814 /nfs/dbraw/zinc/15/28/14/201152814.db2.gz MYLUMYWMWFGCSN-NQHOJNORSA-N 0 3 219.303 3.323 20 0 BGADHN CC[C@@H]1CCN1C/C=C/c1ccc(F)cc1 ZINC000430205725 201150931 /nfs/dbraw/zinc/15/09/31/201150931.db2.gz MYLUMYWMWFGCSN-RDFMZFSFSA-N 0 3 219.303 3.323 20 0 BGADHN CC[C@@H]1CCN1C/C=C\c1ccc(F)cc1 ZINC000430205727 201151749 /nfs/dbraw/zinc/15/17/49/201151749.db2.gz MYLUMYWMWFGCSN-VQTKUKTRSA-N 0 3 219.303 3.323 20 0 BGADHN CC[C@H]1CCN1C/C=C/c1ccc(F)cc1 ZINC000430205729 201152564 /nfs/dbraw/zinc/15/25/64/201152564.db2.gz MYLUMYWMWFGCSN-XGACYXMMSA-N 0 3 219.303 3.323 20 0 BGADHN CCc1cccc(F)c1CN1CC[C@H]1CC ZINC000430205801 201153896 /nfs/dbraw/zinc/15/38/96/201153896.db2.gz NHBICAJWEFSUNX-GFCCVEGCSA-N 0 3 221.319 3.372 20 0 BGADHN CCc1cccc(F)c1CN1CC[C@@H]1CC ZINC000430205802 201154197 /nfs/dbraw/zinc/15/41/97/201154197.db2.gz NHBICAJWEFSUNX-LBPRGKRZSA-N 0 3 221.319 3.372 20 0 BGADHN CC[C@H]1CCN1Cc1ccc2c(c1)CC(C)(C)O2 ZINC000430205832 201154218 /nfs/dbraw/zinc/15/42/18/201154218.db2.gz NMURVPGTKNMHTE-AWEZNQCLSA-N 0 3 245.366 3.384 20 0 BGADHN CC[C@@H]1CCN1Cc1ccc2c(c1)CC(C)(C)O2 ZINC000430205833 386397762 /nfs/dbraw/zinc/39/77/62/386397762.db2.gz NMURVPGTKNMHTE-CQSZACIVSA-N 0 3 245.366 3.384 20 0 BGADHN CC[C@@H]1CCN1Cc1c[nH]nc1-c1ccsc1 ZINC000430209387 386442206 /nfs/dbraw/zinc/44/22/06/386442206.db2.gz WVNFRDASIOCCHF-GFCCVEGCSA-N 0 3 247.367 3.123 20 0 BGADHN CC[C@H]1CCN1Cc1c[nH]nc1-c1ccsc1 ZINC000430209388 386443635 /nfs/dbraw/zinc/44/36/35/386443635.db2.gz WVNFRDASIOCCHF-LBPRGKRZSA-N 0 3 247.367 3.123 20 0 BGADHN CC[C@@H]1CCN1Cc1c(C)nn(C(C)(C)C)c1C ZINC000430209595 201153602 /nfs/dbraw/zinc/15/36/02/201153602.db2.gz WWGBTAJCLZITMK-CYBMUJFWSA-N 0 3 249.402 3.239 20 0 BGADHN CC[C@H]1CCN1Cc1c(C)nn(C(C)(C)C)c1C ZINC000430209596 201154594 /nfs/dbraw/zinc/15/45/94/201154594.db2.gz WWGBTAJCLZITMK-ZDUSSCGKSA-N 0 3 249.402 3.239 20 0 BGADHN CCC[C@@H](C)CN(C)Cc1occc1C ZINC000430209910 201154345 /nfs/dbraw/zinc/15/43/45/201154345.db2.gz SQOFFCTYKVQBAI-LLVKDONJSA-N 0 3 209.333 3.456 20 0 BGADHN CCC[C@H](C)CN(C)Cc1occc1C ZINC000430209913 201153459 /nfs/dbraw/zinc/15/34/59/201153459.db2.gz SQOFFCTYKVQBAI-NSHDSACASA-N 0 3 209.333 3.456 20 0 BGADHN CCOc1cccc(CN2CC[C@H]2CC)c1 ZINC000430210026 201154380 /nfs/dbraw/zinc/15/43/80/201154380.db2.gz YCAXHTPGUAVQNP-CYBMUJFWSA-N 0 3 219.328 3.070 20 0 BGADHN CCOc1cccc(CN2CC[C@@H]2CC)c1 ZINC000430210028 201154367 /nfs/dbraw/zinc/15/43/67/201154367.db2.gz YCAXHTPGUAVQNP-ZDUSSCGKSA-N 0 3 219.328 3.070 20 0 BGADHN COC[C@@H](C)N(C)Cc1ccc2c(c1)CCCC2 ZINC000430232597 201155865 /nfs/dbraw/zinc/15/58/65/201155865.db2.gz HKIRHLHNBJJMQV-CYBMUJFWSA-N 0 3 247.382 3.032 20 0 BGADHN COC[C@H](C)N(C)Cc1ccc2c(c1)CCCC2 ZINC000430232598 201156440 /nfs/dbraw/zinc/15/64/40/201156440.db2.gz HKIRHLHNBJJMQV-ZDUSSCGKSA-N 0 3 247.382 3.032 20 0 BGADHN CSCCN(C)Cc1ccc2c(c1)CCCC2 ZINC000430250484 201157397 /nfs/dbraw/zinc/15/73/97/201157397.db2.gz MCFARJJOPHNQNS-UHFFFAOYSA-N 0 3 249.423 3.360 20 0 BGADHN CC1=C[C@@H](C)CN(Cc2cccc(F)c2)C1 ZINC000430258328 387601150 /nfs/dbraw/zinc/60/11/50/387601150.db2.gz BSKPMIHMERUEJP-LLVKDONJSA-N 0 3 219.303 3.224 20 0 BGADHN CC1=C[C@H](C)CN(Cc2cccc(F)c2)C1 ZINC000430258329 387601137 /nfs/dbraw/zinc/60/11/37/387601137.db2.gz BSKPMIHMERUEJP-NSHDSACASA-N 0 3 219.303 3.224 20 0 BGADHN CC1=C[C@@H](C)CN(CCC(=O)c2ccccc2)C1 ZINC000430265407 387602661 /nfs/dbraw/zinc/60/26/61/387602661.db2.gz DWXIDJLDYKSEGA-CYBMUJFWSA-N 0 3 243.350 3.157 20 0 BGADHN CC1=C[C@H](C)CN(CCC(=O)c2ccccc2)C1 ZINC000430265408 387602242 /nfs/dbraw/zinc/60/22/42/387602242.db2.gz DWXIDJLDYKSEGA-ZDUSSCGKSA-N 0 3 243.350 3.157 20 0 BGADHN CC1=C[C@@H](C)CN(Cc2ccc(F)cc2)C1 ZINC000430266305 387603983 /nfs/dbraw/zinc/60/39/83/387603983.db2.gz XMZWXTIMDYJCMU-LLVKDONJSA-N 0 3 219.303 3.224 20 0 BGADHN CC1=C[C@H](C)CN(Cc2ccc(F)cc2)C1 ZINC000430266306 387603394 /nfs/dbraw/zinc/60/33/94/387603394.db2.gz XMZWXTIMDYJCMU-NSHDSACASA-N 0 3 219.303 3.224 20 0 BGADHN CC1=C[C@@H](C)CN(CCc2ccccc2F)C1 ZINC000430267389 387602825 /nfs/dbraw/zinc/60/28/25/387602825.db2.gz JPSWUCBMQPJSBA-GFCCVEGCSA-N 0 3 233.330 3.266 20 0 BGADHN CC1=C[C@H](C)CN(CCc2ccccc2F)C1 ZINC000430267390 387603369 /nfs/dbraw/zinc/60/33/69/387603369.db2.gz JPSWUCBMQPJSBA-LBPRGKRZSA-N 0 3 233.330 3.266 20 0 BGADHN CC1=C[C@H](C)CN(Cc2cccs2)C1 ZINC000430268191 387602706 /nfs/dbraw/zinc/60/27/06/387602706.db2.gz LYEOTRVSDGTSJX-JTQLQIEISA-N 0 3 207.342 3.146 20 0 BGADHN CC1=C[C@@H](C)CN(Cc2cccs2)C1 ZINC000430268192 387602130 /nfs/dbraw/zinc/60/21/30/387602130.db2.gz LYEOTRVSDGTSJX-SNVBAGLBSA-N 0 3 207.342 3.146 20 0 BGADHN CC1=C[C@@H](C)CN(CCOc2ccc(F)cc2)C1 ZINC000430268626 387606082 /nfs/dbraw/zinc/60/60/82/387606082.db2.gz NSVMQGJQTFCLJP-GFCCVEGCSA-N 0 3 249.329 3.103 20 0 BGADHN CC1=C[C@H](C)CN(CCOc2ccc(F)cc2)C1 ZINC000430268627 387604723 /nfs/dbraw/zinc/60/47/23/387604723.db2.gz NSVMQGJQTFCLJP-LBPRGKRZSA-N 0 3 249.329 3.103 20 0 BGADHN COc1cccc(CN2CC(C)=C[C@@H](C)C2)c1 ZINC000430268808 387604489 /nfs/dbraw/zinc/60/44/89/387604489.db2.gz OEHGGODOEPUOOH-GFCCVEGCSA-N 0 3 231.339 3.093 20 0 BGADHN COc1cccc(CN2CC(C)=C[C@H](C)C2)c1 ZINC000430268809 201155677 /nfs/dbraw/zinc/15/56/77/201155677.db2.gz OEHGGODOEPUOOH-LBPRGKRZSA-N 0 3 231.339 3.093 20 0 BGADHN COc1ccc(CN2CC(C)=C[C@@H](C)C2)cc1F ZINC000430270576 387605002 /nfs/dbraw/zinc/60/50/02/387605002.db2.gz VQFBXLAFLHFJII-LLVKDONJSA-N 0 3 249.329 3.232 20 0 BGADHN COc1ccc(CN2CC(C)=C[C@H](C)C2)cc1F ZINC000430270578 387606304 /nfs/dbraw/zinc/60/63/04/387606304.db2.gz VQFBXLAFLHFJII-NSHDSACASA-N 0 3 249.329 3.232 20 0 BGADHN C[C@@H]1CCC[C@@H](CN2CCO[C@H]3CCC[C@H]32)C1 ZINC000430271032 387605442 /nfs/dbraw/zinc/60/54/42/387605442.db2.gz FAUILMPMWARTTR-TUVASFSCSA-N 0 3 237.387 3.066 20 0 BGADHN C[C@H]1CCC[C@H](CN2CCO[C@H]3CCC[C@H]32)C1 ZINC000430271033 387604807 /nfs/dbraw/zinc/60/48/07/387604807.db2.gz FAUILMPMWARTTR-XQLPTFJDSA-N 0 3 237.387 3.066 20 0 BGADHN C[C@H]1CCC[C@@H](CN2CCO[C@H]3CCC[C@H]32)C1 ZINC000430271034 201156909 /nfs/dbraw/zinc/15/69/09/201156909.db2.gz FAUILMPMWARTTR-YJNKXOJESA-N 0 3 237.387 3.066 20 0 BGADHN C[C@H](CN1CCO[C@H]2CCC[C@H]21)c1ccccc1 ZINC000430273416 387606495 /nfs/dbraw/zinc/60/64/95/387606495.db2.gz NEJQQYMDMKMAFN-BMFZPTHFSA-N 0 3 245.366 3.043 20 0 BGADHN C[C@@H](CN1CCO[C@H]2CCC[C@H]21)c1ccccc1 ZINC000430273417 387606414 /nfs/dbraw/zinc/60/64/14/387606414.db2.gz NEJQQYMDMKMAFN-IMJJTQAJSA-N 0 3 245.366 3.043 20 0 BGADHN COc1ccc(C)cc1CN1CC(C)=C[C@@H](C)C1 ZINC000430274145 387604678 /nfs/dbraw/zinc/60/46/78/387604678.db2.gz CVJPBBCWHUTCDN-CYBMUJFWSA-N 0 3 245.366 3.402 20 0 BGADHN COc1ccc(C)cc1CN1CC(C)=C[C@H](C)C1 ZINC000430274147 387605923 /nfs/dbraw/zinc/60/59/23/387605923.db2.gz CVJPBBCWHUTCDN-ZDUSSCGKSA-N 0 3 245.366 3.402 20 0 BGADHN CCOc1ccccc1CN1CC(C)=C[C@@H](C)C1 ZINC000430279863 398226337 /nfs/dbraw/zinc/22/63/37/398226337.db2.gz VMYRGUOOMNMKKE-CYBMUJFWSA-N 0 3 245.366 3.483 20 0 BGADHN CCOc1ccccc1CN1CC(C)=C[C@H](C)C1 ZINC000430279865 398226350 /nfs/dbraw/zinc/22/63/50/398226350.db2.gz VMYRGUOOMNMKKE-ZDUSSCGKSA-N 0 3 245.366 3.483 20 0 BGADHN CC1=C[C@@H](C)CN(CCOc2cccc(F)c2)C1 ZINC000430280588 398225773 /nfs/dbraw/zinc/22/57/73/398225773.db2.gz AVPLCEVMQAJECG-GFCCVEGCSA-N 0 3 249.329 3.103 20 0 BGADHN CC1=C[C@H](C)CN(CCOc2cccc(F)c2)C1 ZINC000430280589 398226470 /nfs/dbraw/zinc/22/64/70/398226470.db2.gz AVPLCEVMQAJECG-LBPRGKRZSA-N 0 3 249.329 3.103 20 0 BGADHN CCc1ccccc1CN1CCO[C@H]2CCC[C@H]21 ZINC000430280727 398225848 /nfs/dbraw/zinc/22/58/48/398225848.db2.gz YBDWPGANTXXFDZ-CVEARBPZSA-N 0 3 245.366 3.002 20 0 BGADHN C(CN1CCO[C@H]2CCC[C@H]21)C1CCCCC1 ZINC000430281087 398225808 /nfs/dbraw/zinc/22/58/08/398225808.db2.gz XPAOIDCXVQHRKT-CABCVRRESA-N 0 3 237.387 3.210 20 0 BGADHN CC1=C[C@@H](C)CN(CCOc2ccccc2F)C1 ZINC000430282335 398226386 /nfs/dbraw/zinc/22/63/86/398226386.db2.gz VRSLAPCVPUERPP-GFCCVEGCSA-N 0 3 249.329 3.103 20 0 BGADHN CC1=C[C@H](C)CN(CCOc2ccccc2F)C1 ZINC000430282337 398225962 /nfs/dbraw/zinc/22/59/62/398225962.db2.gz VRSLAPCVPUERPP-LBPRGKRZSA-N 0 3 249.329 3.103 20 0 BGADHN Cc1ccc(CN2CC(C)=C[C@@H](C)C2)c(C)n1 ZINC000430283814 398226437 /nfs/dbraw/zinc/22/64/37/398226437.db2.gz LAHNYJIHVLCPRA-LLVKDONJSA-N 0 3 230.355 3.096 20 0 BGADHN Cc1ccc(CN2CC(C)=C[C@H](C)C2)c(C)n1 ZINC000430283815 398226304 /nfs/dbraw/zinc/22/63/04/398226304.db2.gz LAHNYJIHVLCPRA-NSHDSACASA-N 0 3 230.355 3.096 20 0 BGADHN CCOc1ccc(CN2CC(C)=C[C@@H](C)C2)cc1 ZINC000430284682 398227033 /nfs/dbraw/zinc/22/70/33/398227033.db2.gz OSKCVLMFQWTRJE-CYBMUJFWSA-N 0 3 245.366 3.483 20 0 BGADHN CCOc1ccc(CN2CC(C)=C[C@H](C)C2)cc1 ZINC000430284683 398226970 /nfs/dbraw/zinc/22/69/70/398226970.db2.gz OSKCVLMFQWTRJE-ZDUSSCGKSA-N 0 3 245.366 3.483 20 0 BGADHN CCC(C)(C)CCN1CCO[C@H]2CCC[C@H]21 ZINC000430285116 387608898 /nfs/dbraw/zinc/60/88/98/387608898.db2.gz RALPQAWKUBPOCK-OLZOCXBDSA-N 0 3 225.376 3.066 20 0 BGADHN CC1=C[C@@H](C)CN(Cc2ccccc2F)C1 ZINC000430285651 387608126 /nfs/dbraw/zinc/60/81/26/387608126.db2.gz QWXGZVVOMQMNHG-LLVKDONJSA-N 0 3 219.303 3.224 20 0 BGADHN CC1=C[C@H](C)CN(Cc2ccccc2F)C1 ZINC000430285652 387608968 /nfs/dbraw/zinc/60/89/68/387608968.db2.gz QWXGZVVOMQMNHG-NSHDSACASA-N 0 3 219.303 3.224 20 0 BGADHN COc1ccc(CN2CC(C)=C[C@@H](C)C2)cc1 ZINC000430285673 387608222 /nfs/dbraw/zinc/60/82/22/387608222.db2.gz RCLGPMWRUDHPHN-GFCCVEGCSA-N 0 3 231.339 3.093 20 0 BGADHN COc1ccc(CN2CC(C)=C[C@H](C)C2)cc1 ZINC000430285674 387608860 /nfs/dbraw/zinc/60/88/60/387608860.db2.gz RCLGPMWRUDHPHN-LBPRGKRZSA-N 0 3 231.339 3.093 20 0 BGADHN COCc1cccc(CN2CC(C)=C[C@@H](C)C2)c1 ZINC000430286114 387608384 /nfs/dbraw/zinc/60/83/84/387608384.db2.gz WOCPDBYUMIRFCV-CYBMUJFWSA-N 0 3 245.366 3.231 20 0 BGADHN COCc1cccc(CN2CC(C)=C[C@H](C)C2)c1 ZINC000430286116 387609594 /nfs/dbraw/zinc/60/95/94/387609594.db2.gz WOCPDBYUMIRFCV-ZDUSSCGKSA-N 0 3 245.366 3.231 20 0 BGADHN Cc1nc(C)c(CN2CC(C)=C[C@@H](C)C2)s1 ZINC000430286233 387609272 /nfs/dbraw/zinc/60/92/72/387609272.db2.gz XHCODVBMVPZECY-SECBINFHSA-N 0 3 236.384 3.158 20 0 BGADHN Cc1nc(C)c(CN2CC(C)=C[C@H](C)C2)s1 ZINC000430286235 387608072 /nfs/dbraw/zinc/60/80/72/387608072.db2.gz XHCODVBMVPZECY-VIFPVBQESA-N 0 3 236.384 3.158 20 0 BGADHN CC[C@@H]1CC[C@@H](C)C[C@H]1NCc1cc(C)no1 ZINC000430720574 387644809 /nfs/dbraw/zinc/64/48/09/387644809.db2.gz NAHZZHNGKJWWFO-MPKXVKKWSA-N 0 3 236.359 3.287 20 0 BGADHN CC[C@@H]1CC[C@@H](C)C[C@@H]1NCc1cc(C)no1 ZINC000430720575 387644429 /nfs/dbraw/zinc/64/44/29/387644429.db2.gz NAHZZHNGKJWWFO-QKCSRTOESA-N 0 3 236.359 3.287 20 0 BGADHN CC[C@@H]1CC[C@H](C)C[C@@H]1NCc1cc(C)no1 ZINC000430720576 387644542 /nfs/dbraw/zinc/64/45/42/387644542.db2.gz NAHZZHNGKJWWFO-SUHUHFCYSA-N 0 3 236.359 3.287 20 0 BGADHN CC[C@@H]1CC[C@H](C)C[C@H]1NCc1cc(C)no1 ZINC000430720577 387645392 /nfs/dbraw/zinc/64/53/92/387645392.db2.gz NAHZZHNGKJWWFO-ZKYQVNSYSA-N 0 3 236.359 3.287 20 0 BGADHN CC(C)[C@@H](C)NCc1c(F)cc(F)c(F)c1F ZINC000430746540 387646973 /nfs/dbraw/zinc/64/69/73/387646973.db2.gz HZZZNJNRQFBZGA-SSDOTTSWSA-N 0 3 249.251 3.377 20 0 BGADHN CC(C)[C@H](C)NCc1c(F)cc(F)c(F)c1F ZINC000430746541 387646434 /nfs/dbraw/zinc/64/64/34/387646434.db2.gz HZZZNJNRQFBZGA-ZETCQYMHSA-N 0 3 249.251 3.377 20 0 BGADHN CC1=C[C@H](C)CN(Cc2scnc2C2CC2)C1 ZINC000430861834 538860437 /nfs/dbraw/zinc/86/04/37/538860437.db2.gz CJIQPXPSVOVNJF-JTQLQIEISA-N 0 3 248.395 3.419 20 0 BGADHN CC1=C[C@@H](C)CN(Cc2scnc2C2CC2)C1 ZINC000430861835 583170469 /nfs/dbraw/zinc/17/04/69/583170469.db2.gz CJIQPXPSVOVNJF-SNVBAGLBSA-N 0 3 248.395 3.419 20 0 BGADHN CC1=C[C@@H](C)CN(Cc2c[nH]nc2C(C)(C)C)C1 ZINC000430863866 387656641 /nfs/dbraw/zinc/65/66/41/387656641.db2.gz IPOIUPILVCXYBP-LLVKDONJSA-N 0 3 247.386 3.105 20 0 BGADHN CC1=C[C@H](C)CN(Cc2c[nH]nc2C(C)(C)C)C1 ZINC000430863868 387655991 /nfs/dbraw/zinc/65/59/91/387655991.db2.gz IPOIUPILVCXYBP-NSHDSACASA-N 0 3 247.386 3.105 20 0 BGADHN CCc1ccc(CN2CC(C)=C[C@@H](C)C2)o1 ZINC000430872310 387657272 /nfs/dbraw/zinc/65/72/72/387657272.db2.gz HXULJIVHVKCJFX-LLVKDONJSA-N 0 3 219.328 3.240 20 0 BGADHN CCc1ccc(CN2CC(C)=C[C@H](C)C2)o1 ZINC000430872311 387655895 /nfs/dbraw/zinc/65/58/95/387655895.db2.gz HXULJIVHVKCJFX-NSHDSACASA-N 0 3 219.328 3.240 20 0 BGADHN COc1cc(CN2CC(C)=C[C@@H](C)C2)ccc1C ZINC000430872667 387657387 /nfs/dbraw/zinc/65/73/87/387657387.db2.gz LAFRSIRQEFIZRX-GFCCVEGCSA-N 0 3 245.366 3.402 20 0 BGADHN COc1cc(CN2CC(C)=C[C@H](C)C2)ccc1C ZINC000430872668 387657079 /nfs/dbraw/zinc/65/70/79/387657079.db2.gz LAFRSIRQEFIZRX-LBPRGKRZSA-N 0 3 245.366 3.402 20 0 BGADHN CC1=C[C@@H](C)CN(Cc2ccc3c(c2)CCO3)C1 ZINC000430873079 387657245 /nfs/dbraw/zinc/65/72/45/387657245.db2.gz OXOMOZVAABIXFM-GFCCVEGCSA-N 0 3 243.350 3.020 20 0 BGADHN CC1=C[C@H](C)CN(Cc2ccc3c(c2)CCO3)C1 ZINC000430873080 387656831 /nfs/dbraw/zinc/65/68/31/387656831.db2.gz OXOMOZVAABIXFM-LBPRGKRZSA-N 0 3 243.350 3.020 20 0 BGADHN COc1ccc(CN2CC(C)=C[C@@H](C)C2)cc1C ZINC000430873105 387932473 /nfs/dbraw/zinc/93/24/73/387932473.db2.gz PECGSOXQURRXSY-GFCCVEGCSA-N 0 3 245.366 3.402 20 0 BGADHN COc1ccc(CN2CC(C)=C[C@H](C)C2)cc1C ZINC000430873106 387933977 /nfs/dbraw/zinc/93/39/77/387933977.db2.gz PECGSOXQURRXSY-LBPRGKRZSA-N 0 3 245.366 3.402 20 0 BGADHN CCc1ncc(CN2CC(C)=C[C@H](C)C2)s1 ZINC000430873138 387657005 /nfs/dbraw/zinc/65/70/05/387657005.db2.gz PMWXVLSCSLZFAG-JTQLQIEISA-N 0 3 236.384 3.104 20 0 BGADHN CCc1ncc(CN2CC(C)=C[C@@H](C)C2)s1 ZINC000430873139 387655950 /nfs/dbraw/zinc/65/59/50/387655950.db2.gz PMWXVLSCSLZFAG-SNVBAGLBSA-N 0 3 236.384 3.104 20 0 BGADHN CCOc1cccc(CN2CC(C)=C[C@@H](C)C2)c1 ZINC000430874238 387655925 /nfs/dbraw/zinc/65/59/25/387655925.db2.gz YHZHXZURWGTTJT-CYBMUJFWSA-N 0 3 245.366 3.483 20 0 BGADHN CCOc1cccc(CN2CC(C)=C[C@H](C)C2)c1 ZINC000430874239 387656568 /nfs/dbraw/zinc/65/65/68/387656568.db2.gz YHZHXZURWGTTJT-ZDUSSCGKSA-N 0 3 245.366 3.483 20 0 BGADHN CCn1ccnc1[C@@H]1CCCCN1C[C@@H]1C[C@@H]1C ZINC000430874469 387656388 /nfs/dbraw/zinc/65/63/88/387656388.db2.gz DEILFRIVMKSOIR-IHRRRGAJSA-N 0 3 247.386 3.086 20 0 BGADHN CCn1ccnc1[C@@H]1CCCCN1C[C@H]1C[C@H]1C ZINC000430874470 387655476 /nfs/dbraw/zinc/65/54/76/387655476.db2.gz DEILFRIVMKSOIR-MCIONIFRSA-N 0 3 247.386 3.086 20 0 BGADHN CCn1ccnc1[C@@H]1CCCCN1C[C@H]1C[C@@H]1C ZINC000430874471 387655964 /nfs/dbraw/zinc/65/59/64/387655964.db2.gz DEILFRIVMKSOIR-MJBXVCDLSA-N 0 3 247.386 3.086 20 0 BGADHN CCn1ccnc1[C@@H]1CCCCN1C[C@@H]1C[C@H]1C ZINC000430874472 387655529 /nfs/dbraw/zinc/65/55/29/387655529.db2.gz DEILFRIVMKSOIR-RDBSUJKOSA-N 0 3 247.386 3.086 20 0 BGADHN COc1ccccc1CN1CC(C)=C[C@@H](C)C1 ZINC000430876705 387656463 /nfs/dbraw/zinc/65/64/63/387656463.db2.gz GRMZDCMNBHAKCQ-GFCCVEGCSA-N 0 3 231.339 3.093 20 0 BGADHN COc1ccccc1CN1CC(C)=C[C@H](C)C1 ZINC000430876706 387657474 /nfs/dbraw/zinc/65/74/74/387657474.db2.gz GRMZDCMNBHAKCQ-LBPRGKRZSA-N 0 3 231.339 3.093 20 0 BGADHN CC1=C[C@H](C)CN(Cc2ccsc2)C1 ZINC000430877818 387657424 /nfs/dbraw/zinc/65/74/24/387657424.db2.gz KHNMFUGNNAIZBU-JTQLQIEISA-N 0 3 207.342 3.146 20 0 BGADHN CC1=C[C@@H](C)CN(Cc2ccsc2)C1 ZINC000430877819 387657125 /nfs/dbraw/zinc/65/71/25/387657125.db2.gz KHNMFUGNNAIZBU-SNVBAGLBSA-N 0 3 207.342 3.146 20 0 BGADHN COc1ccsc1CN1CC(C)=C[C@H](C)C1 ZINC000430882239 387657432 /nfs/dbraw/zinc/65/74/32/387657432.db2.gz ITIRZRIKOHLMKC-JTQLQIEISA-N 0 3 237.368 3.155 20 0 BGADHN COc1ccsc1CN1CC(C)=C[C@@H](C)C1 ZINC000430882240 387657358 /nfs/dbraw/zinc/65/73/58/387657358.db2.gz ITIRZRIKOHLMKC-SNVBAGLBSA-N 0 3 237.368 3.155 20 0 BGADHN CN(CCSC1CCC1)Cc1ccccc1 ZINC000430975314 387664921 /nfs/dbraw/zinc/66/49/21/387664921.db2.gz LIYKHSZFUNMYNH-UHFFFAOYSA-N 0 3 235.396 3.404 20 0 BGADHN Cc1cc(F)cc(NC(=O)C(C)C(F)(F)F)c1 ZINC000432198313 387772216 /nfs/dbraw/zinc/77/22/16/387772216.db2.gz MNDKYNLFIMCIIB-SSDOTTSWSA-N 0 3 249.207 3.271 20 0 BGADHN Cc1cc(F)cc(NC(=O)C(C)C(F)(F)F)c1 ZINC000432198314 387772563 /nfs/dbraw/zinc/77/25/63/387772563.db2.gz MNDKYNLFIMCIIB-ZETCQYMHSA-N 0 3 249.207 3.271 20 0 BGADHN CC(C)CN(Cc1cocn1)C1CCCC1 ZINC000432736769 192371883 /nfs/dbraw/zinc/37/18/83/192371883.db2.gz GDKNSVARCSDMLQ-UHFFFAOYSA-N 0 3 222.332 3.075 20 0 BGADHN CCN(C)Cc1ccc(C(F)(F)F)s1 ZINC000432737074 387813117 /nfs/dbraw/zinc/81/31/17/387813117.db2.gz AAVDPUDTCBEQSI-UHFFFAOYSA-N 0 3 223.263 3.219 20 0 BGADHN CC(C)CCN(Cc1cocn1)C1CCCC1 ZINC000432742486 387812789 /nfs/dbraw/zinc/81/27/89/387812789.db2.gz SQHSBRUPJDJASD-UHFFFAOYSA-N 0 3 236.359 3.465 20 0 BGADHN CC(C)(C)C[C@H]1CCCN1Cc1cocn1 ZINC000432742810 387812081 /nfs/dbraw/zinc/81/20/81/387812081.db2.gz VIEJPPSMERWMCH-GFCCVEGCSA-N 0 3 222.332 3.075 20 0 BGADHN CC(C)(C)C[C@@H]1CCCN1Cc1cocn1 ZINC000432742812 387812122 /nfs/dbraw/zinc/81/21/22/387812122.db2.gz VIEJPPSMERWMCH-LBPRGKRZSA-N 0 3 222.332 3.075 20 0 BGADHN CC[C@H](C)[C@@H]1CCCCN1Cc1cocn1 ZINC000432752491 387811372 /nfs/dbraw/zinc/81/13/72/387811372.db2.gz MDCCNVLDTCNQFI-AAEUAGOBSA-N 0 3 222.332 3.075 20 0 BGADHN CC[C@@H](C)[C@H]1CCCCN1Cc1cocn1 ZINC000432752492 387812688 /nfs/dbraw/zinc/81/26/88/387812688.db2.gz MDCCNVLDTCNQFI-DGCLKSJQSA-N 0 3 222.332 3.075 20 0 BGADHN CC[C@H](C)[C@H]1CCCCN1Cc1cocn1 ZINC000432752493 387811545 /nfs/dbraw/zinc/81/15/45/387811545.db2.gz MDCCNVLDTCNQFI-WCQYABFASA-N 0 3 222.332 3.075 20 0 BGADHN CC[C@@H](C)[C@@H]1CCCCN1Cc1cocn1 ZINC000432752494 387811941 /nfs/dbraw/zinc/81/19/41/387811941.db2.gz MDCCNVLDTCNQFI-YPMHNXCESA-N 0 3 222.332 3.075 20 0 BGADHN CC1(CN2CCc3ccc(F)cc3C2)CCC1 ZINC000432773855 387814507 /nfs/dbraw/zinc/81/45/07/387814507.db2.gz KLTORTXYBUTYSG-UHFFFAOYSA-N 0 3 233.330 3.374 20 0 BGADHN CC1(CN2CCc3cccc(F)c3C2)CCC1 ZINC000432774719 387813983 /nfs/dbraw/zinc/81/39/83/387813983.db2.gz QNWZJEPDLFTNMY-UHFFFAOYSA-N 0 3 233.330 3.374 20 0 BGADHN CC1(CN2CCc3c(F)cccc3C2)CCC1 ZINC000432779585 387816607 /nfs/dbraw/zinc/81/66/07/387816607.db2.gz DITDFNXGKUXKOY-UHFFFAOYSA-N 0 3 233.330 3.374 20 0 BGADHN Cc1cccc(CN(C)CC2(C)CCC2)n1 ZINC000432785017 387820143 /nfs/dbraw/zinc/82/01/43/387820143.db2.gz RFMBOPDNRXNBNJ-UHFFFAOYSA-N 0 3 218.344 3.012 20 0 BGADHN CC1(CN2CC=C(C(F)(F)F)CC2)CCC1 ZINC000432786009 192957832 /nfs/dbraw/zinc/95/78/32/192957832.db2.gz WOJQQEQPNWERCJ-UHFFFAOYSA-N 0 3 233.277 3.371 20 0 BGADHN CCCn1cc(CN2CC3(CCC3)C[C@H]2C)cn1 ZINC000432788419 387820873 /nfs/dbraw/zinc/82/08/73/387820873.db2.gz KZEBMNPKAWEGON-CYBMUJFWSA-N 0 3 247.386 3.058 20 0 BGADHN CCCn1cc(CN2CC3(CCC3)C[C@@H]2C)cn1 ZINC000432788422 387820706 /nfs/dbraw/zinc/82/07/06/387820706.db2.gz KZEBMNPKAWEGON-ZDUSSCGKSA-N 0 3 247.386 3.058 20 0 BGADHN Cc1ccc(CN2CC3(CCC3)C[C@H]2C)cn1 ZINC000432790965 387819673 /nfs/dbraw/zinc/81/96/73/387819673.db2.gz YDQRERVFMTZALM-CYBMUJFWSA-N 0 3 230.355 3.155 20 0 BGADHN Cc1ccc(CN2CC3(CCC3)C[C@@H]2C)cn1 ZINC000432790967 387820781 /nfs/dbraw/zinc/82/07/81/387820781.db2.gz YDQRERVFMTZALM-ZDUSSCGKSA-N 0 3 230.355 3.155 20 0 BGADHN C/C(=C\c1ccccc1)CN(C)C[C@H](O)C(C)C ZINC000432801017 387823207 /nfs/dbraw/zinc/82/32/07/387823207.db2.gz SEFHLOVIBIAPND-DKGMDFAASA-N 0 3 247.382 3.039 20 0 BGADHN C/C(=C/c1ccccc1)CN(C)C[C@H](O)C(C)C ZINC000432801018 387822323 /nfs/dbraw/zinc/82/23/23/387822323.db2.gz SEFHLOVIBIAPND-DNXIFWLFSA-N 0 3 247.382 3.039 20 0 BGADHN C/C(=C\c1ccccc1)CN(C)C[C@@H](O)C(C)C ZINC000432801019 387822354 /nfs/dbraw/zinc/82/23/54/387822354.db2.gz SEFHLOVIBIAPND-HFQYIWAZSA-N 0 3 247.382 3.039 20 0 BGADHN C/C(=C/c1ccccc1)CN(C)C[C@@H](O)C(C)C ZINC000432801020 387824154 /nfs/dbraw/zinc/82/41/54/387824154.db2.gz SEFHLOVIBIAPND-SCOADAFUSA-N 0 3 247.382 3.039 20 0 BGADHN COCc1ccc(CN2CC3(CCC3)C[C@H]2C)o1 ZINC000432801965 387821989 /nfs/dbraw/zinc/82/19/89/387821989.db2.gz YNQSLRVQLJWOON-GFCCVEGCSA-N 0 3 249.354 3.191 20 0 BGADHN COCc1ccc(CN2CC3(CCC3)C[C@@H]2C)o1 ZINC000432801966 387822276 /nfs/dbraw/zinc/82/22/76/387822276.db2.gz YNQSLRVQLJWOON-LBPRGKRZSA-N 0 3 249.354 3.191 20 0 BGADHN Cc1ccc(CN2CC3(CCC3)C[C@H]2C)nc1 ZINC000432814525 387826988 /nfs/dbraw/zinc/82/69/88/387826988.db2.gz ALLXTEIWUOYDHT-CYBMUJFWSA-N 0 3 230.355 3.155 20 0 BGADHN Cc1ccc(CN2CC3(CCC3)C[C@@H]2C)nc1 ZINC000432814526 387828438 /nfs/dbraw/zinc/82/84/38/387828438.db2.gz ALLXTEIWUOYDHT-ZDUSSCGKSA-N 0 3 230.355 3.155 20 0 BGADHN CN(CCC(F)(F)F)CC1(C)CCC1 ZINC000432816907 387828333 /nfs/dbraw/zinc/82/83/33/387828333.db2.gz BULCPRXJWVJJOL-UHFFFAOYSA-N 0 3 209.255 3.061 20 0 BGADHN CN(Cc1cc(Cl)cn1C)CC1(C)CCC1 ZINC000432819076 537868750 /nfs/dbraw/zinc/86/87/50/537868750.db2.gz NNQVVXXOURRUKK-UHFFFAOYSA-N 0 3 240.778 3.301 20 0 BGADHN CC1(CN2CCOC3(CCCCC3)C2)CCC1 ZINC000432820474 387827296 /nfs/dbraw/zinc/82/72/96/387827296.db2.gz IKGPYQSRFBZIGR-UHFFFAOYSA-N 0 3 237.387 3.212 20 0 BGADHN CC1(CN2Cc3ccccc3C2)CCC1 ZINC000432820609 537869065 /nfs/dbraw/zinc/86/90/65/537869065.db2.gz RQYROJZWMAGMMK-UHFFFAOYSA-N 0 3 201.313 3.192 20 0 BGADHN COc1cccc2c1CCN(CC1(C)CCC1)C2 ZINC000432865752 398239318 /nfs/dbraw/zinc/23/93/18/398239318.db2.gz JKOLKADETYVGSV-UHFFFAOYSA-N 0 3 245.366 3.244 20 0 BGADHN Cc1ccc(C)c(CN(C)CC2=CCCOC2)c1 ZINC000432883931 387837384 /nfs/dbraw/zinc/83/73/84/387837384.db2.gz DQZCZKPXBAFYNE-UHFFFAOYSA-N 0 3 245.366 3.082 20 0 BGADHN Cc1ccc(C)c(CN(C)Cc2ccn(C)c2)c1 ZINC000432887185 387838006 /nfs/dbraw/zinc/83/80/06/387838006.db2.gz QNQAGLMZBHUJTO-UHFFFAOYSA-N 0 3 242.366 3.274 20 0 BGADHN COc1ccc2c(c1)CN(CC1(C)CCC1)CC2 ZINC000432922610 387841526 /nfs/dbraw/zinc/84/15/26/387841526.db2.gz ARRYLSQWUHMFRF-UHFFFAOYSA-N 0 3 245.366 3.244 20 0 BGADHN Cc1occc1CN(C)CC1(C)CCC1 ZINC000432925540 387840446 /nfs/dbraw/zinc/84/04/46/387840446.db2.gz DBAHRBIQMVSKRI-UHFFFAOYSA-N 0 3 207.317 3.210 20 0 BGADHN Cc1ccc(CN(C)CC2(C)CCC2)o1 ZINC000432936633 387844416 /nfs/dbraw/zinc/84/44/16/387844416.db2.gz HFTKTSFKNPYCAF-UHFFFAOYSA-N 0 3 207.317 3.210 20 0 BGADHN c1nc(CN[C@@H]2CC3CCC2CC3)oc1C1CC1 ZINC000432985837 387848117 /nfs/dbraw/zinc/84/81/17/387848117.db2.gz SNBHOAXZHNZRCZ-GCZXYKMCSA-N 0 3 246.354 3.220 20 0 BGADHN c1nc(CN[C@H]2CC3CCC2CC3)oc1C1CC1 ZINC000432985839 387847619 /nfs/dbraw/zinc/84/76/19/387847619.db2.gz SNBHOAXZHNZRCZ-XIVSLSHWSA-N 0 3 246.354 3.220 20 0 BGADHN CC(C)n1ccnc1CN[C@@H]1CC2CCC1CC2 ZINC000432989069 387847874 /nfs/dbraw/zinc/84/78/74/387847874.db2.gz NUNVACXWLYKMPO-JXQTWKCFSA-N 0 3 247.386 3.132 20 0 BGADHN CC(C)n1ccnc1CN[C@H]1CC2CCC1CC2 ZINC000432989070 387848209 /nfs/dbraw/zinc/84/82/09/387848209.db2.gz NUNVACXWLYKMPO-RUXDESIVSA-N 0 3 247.386 3.132 20 0 BGADHN Cc1n[nH]cc1CN(C)C1CCC(C(C)C)CC1 ZINC000433026574 387852234 /nfs/dbraw/zinc/85/22/34/387852234.db2.gz GMEPNTIGZXBXMV-UHFFFAOYSA-N 0 3 249.402 3.365 20 0 BGADHN CC(C)C1CCC(N(C)Cc2cncnc2)CC1 ZINC000433027444 537873223 /nfs/dbraw/zinc/87/32/23/537873223.db2.gz KXUHNPAYOPDCOP-UHFFFAOYSA-N 0 3 247.386 3.123 20 0 BGADHN CC(C)C1CCC(N(C)Cc2ccn(C)n2)CC1 ZINC000433029569 387853712 /nfs/dbraw/zinc/85/37/12/387853712.db2.gz SPLVBLOXHJJQOD-UHFFFAOYSA-N 0 3 249.402 3.067 20 0 BGADHN CC(C)C1CCC(N(C)Cc2cncn2C)CC1 ZINC000433031840 387854214 /nfs/dbraw/zinc/85/42/14/387854214.db2.gz PDYBFQOWWQONPA-UHFFFAOYSA-N 0 3 249.402 3.067 20 0 BGADHN CC(C)C1CCC(N(C)Cc2ccnn2C)CC1 ZINC000433033090 387853901 /nfs/dbraw/zinc/85/39/01/387853901.db2.gz TYRBWORZQDMTLZ-UHFFFAOYSA-N 0 3 249.402 3.067 20 0 BGADHN C[C@H]1CC[C@@H](N(C)Cc2cnn(C(C)(C)C)c2)C1 ZINC000433036314 387853116 /nfs/dbraw/zinc/85/31/16/387853116.db2.gz TYKNNDIZRYACIY-GXTWGEPZSA-N 0 3 249.402 3.259 20 0 BGADHN C[C@H]1CC[C@H](N(C)Cc2cnn(C(C)(C)C)c2)C1 ZINC000433036315 387853650 /nfs/dbraw/zinc/85/36/50/387853650.db2.gz TYKNNDIZRYACIY-JSGCOSHPSA-N 0 3 249.402 3.259 20 0 BGADHN C[C@@H]1CC[C@H](N(C)Cc2cnn(C(C)(C)C)c2)C1 ZINC000433036316 387854003 /nfs/dbraw/zinc/85/40/03/387854003.db2.gz TYKNNDIZRYACIY-OCCSQVGLSA-N 0 3 249.402 3.259 20 0 BGADHN C[C@@H]1CC[C@@H](N(C)Cc2cnn(C(C)(C)C)c2)C1 ZINC000433036317 387853194 /nfs/dbraw/zinc/85/31/94/387853194.db2.gz TYKNNDIZRYACIY-TZMCWYRMSA-N 0 3 249.402 3.259 20 0 BGADHN CC(C)Cn1cc(CN(C)[C@@H]2CC[C@H](C)C2)cn1 ZINC000433036464 192976326 /nfs/dbraw/zinc/97/63/26/192976326.db2.gz VOIWBMIZJLRWAL-DZGCQCFKSA-N 0 3 249.402 3.160 20 0 BGADHN CC(C)Cn1cc(CN(C)[C@H]2CC[C@@H](C)C2)cn1 ZINC000433036465 387855490 /nfs/dbraw/zinc/85/54/90/387855490.db2.gz VOIWBMIZJLRWAL-HIFRSBDPSA-N 0 3 249.402 3.160 20 0 BGADHN CC(C)Cn1cc(CN(C)[C@@H]2CC[C@@H](C)C2)cn1 ZINC000433036466 528708719 /nfs/dbraw/zinc/70/87/19/528708719.db2.gz VOIWBMIZJLRWAL-UKRRQHHQSA-N 0 3 249.402 3.160 20 0 BGADHN CC(C)Cn1cc(CN(C)[C@H]2CC[C@H](C)C2)cn1 ZINC000433036467 528708130 /nfs/dbraw/zinc/70/81/30/528708130.db2.gz VOIWBMIZJLRWAL-ZFWWWQNUSA-N 0 3 249.402 3.160 20 0 BGADHN CC(C)n1cc(CN(C)[C@@H]2CC[C@H](C)C2)cn1 ZINC000433036877 387855462 /nfs/dbraw/zinc/85/54/62/387855462.db2.gz ZUSIOJZLTGPXJF-GXTWGEPZSA-N 0 3 235.375 3.084 20 0 BGADHN CC(C)n1cc(CN(C)[C@H]2CC[C@H](C)C2)cn1 ZINC000433036878 387856054 /nfs/dbraw/zinc/85/60/54/387856054.db2.gz ZUSIOJZLTGPXJF-JSGCOSHPSA-N 0 3 235.375 3.084 20 0 BGADHN CC(C)n1cc(CN(C)[C@H]2CC[C@@H](C)C2)cn1 ZINC000433036879 387855075 /nfs/dbraw/zinc/85/50/75/387855075.db2.gz ZUSIOJZLTGPXJF-OCCSQVGLSA-N 0 3 235.375 3.084 20 0 BGADHN CC(C)n1cc(CN(C)[C@@H]2CC[C@@H](C)C2)cn1 ZINC000433036880 387855158 /nfs/dbraw/zinc/85/51/58/387855158.db2.gz ZUSIOJZLTGPXJF-TZMCWYRMSA-N 0 3 235.375 3.084 20 0 BGADHN CCc1ccc(CN(C)[C@H]2CC[C@@H](C)C2)o1 ZINC000433037232 387856082 /nfs/dbraw/zinc/85/60/82/387856082.db2.gz DNQGEABAOSFWKV-NEPJUHHUSA-N 0 3 221.344 3.462 20 0 BGADHN CCc1ccc(CN(C)[C@@H]2CC[C@H](C)C2)o1 ZINC000433037233 387855002 /nfs/dbraw/zinc/85/50/02/387855002.db2.gz DNQGEABAOSFWKV-NWDGAFQWSA-N 0 3 221.344 3.462 20 0 BGADHN CCc1ccc(CN(C)[C@H]2CC[C@H](C)C2)o1 ZINC000433037234 387855599 /nfs/dbraw/zinc/85/55/99/387855599.db2.gz DNQGEABAOSFWKV-RYUDHWBXSA-N 0 3 221.344 3.462 20 0 BGADHN CCc1ccc(CN(C)[C@@H]2CC[C@@H](C)C2)o1 ZINC000433037235 192976994 /nfs/dbraw/zinc/97/69/94/192976994.db2.gz DNQGEABAOSFWKV-VXGBXAGGSA-N 0 3 221.344 3.462 20 0 BGADHN COc1c(O)cccc1CN(C)[C@H]1CC[C@H](C)C1 ZINC000433043661 397916132 /nfs/dbraw/zinc/91/61/32/397916132.db2.gz GBGAPMGBXODTQB-AAEUAGOBSA-N 0 3 249.354 3.021 20 0 BGADHN COc1c(O)cccc1CN(C)[C@@H]1CC[C@@H](C)C1 ZINC000433043662 397915551 /nfs/dbraw/zinc/91/55/51/397915551.db2.gz GBGAPMGBXODTQB-DGCLKSJQSA-N 0 3 249.354 3.021 20 0 BGADHN COc1c(O)cccc1CN(C)[C@@H]1CC[C@H](C)C1 ZINC000433043663 397915349 /nfs/dbraw/zinc/91/53/49/397915349.db2.gz GBGAPMGBXODTQB-WCQYABFASA-N 0 3 249.354 3.021 20 0 BGADHN COc1c(O)cccc1CN(C)[C@H]1CC[C@@H](C)C1 ZINC000433043664 397916193 /nfs/dbraw/zinc/91/61/93/397916193.db2.gz GBGAPMGBXODTQB-YPMHNXCESA-N 0 3 249.354 3.021 20 0 BGADHN COCc1ccc(CN(C)[C@H]2CC[C@@H](C)C2)o1 ZINC000433043744 397915929 /nfs/dbraw/zinc/91/59/29/397915929.db2.gz KLBGXLXPWINHPQ-NEPJUHHUSA-N 0 3 237.343 3.046 20 0 BGADHN COCc1ccc(CN(C)[C@@H]2CC[C@H](C)C2)o1 ZINC000433043745 397916169 /nfs/dbraw/zinc/91/61/69/397916169.db2.gz KLBGXLXPWINHPQ-NWDGAFQWSA-N 0 3 237.343 3.046 20 0 BGADHN COCc1ccc(CN(C)[C@H]2CC[C@H](C)C2)o1 ZINC000433043746 397915972 /nfs/dbraw/zinc/91/59/72/397915972.db2.gz KLBGXLXPWINHPQ-RYUDHWBXSA-N 0 3 237.343 3.046 20 0 BGADHN COCc1ccc(CN(C)[C@@H]2CC[C@@H](C)C2)o1 ZINC000433043747 397915687 /nfs/dbraw/zinc/91/56/87/397915687.db2.gz KLBGXLXPWINHPQ-VXGBXAGGSA-N 0 3 237.343 3.046 20 0 BGADHN C[C@H]1CC[C@H](N(C)Cc2c[nH]nc2C(C)(C)C)C1 ZINC000433050576 387856745 /nfs/dbraw/zinc/85/67/45/387856745.db2.gz CFIHKBUWVDYNEY-AAEUAGOBSA-N 0 3 249.402 3.328 20 0 BGADHN C[C@@H]1CC[C@@H](N(C)Cc2c[nH]nc2C(C)(C)C)C1 ZINC000433050577 387856619 /nfs/dbraw/zinc/85/66/19/387856619.db2.gz CFIHKBUWVDYNEY-DGCLKSJQSA-N 0 3 249.402 3.328 20 0 BGADHN C[C@H]1CC[C@@H](N(C)Cc2c[nH]nc2C(C)(C)C)C1 ZINC000433050578 387856845 /nfs/dbraw/zinc/85/68/45/387856845.db2.gz CFIHKBUWVDYNEY-WCQYABFASA-N 0 3 249.402 3.328 20 0 BGADHN C[C@@H]1CC[C@H](N(C)Cc2c[nH]nc2C(C)(C)C)C1 ZINC000433050579 387857126 /nfs/dbraw/zinc/85/71/26/387857126.db2.gz CFIHKBUWVDYNEY-YPMHNXCESA-N 0 3 249.402 3.328 20 0 BGADHN CCn1nc(C)c(CN(C)[C@@H]2CC[C@@H](C)C2)c1C ZINC000433052580 387856835 /nfs/dbraw/zinc/85/68/35/387856835.db2.gz MWFWURIXBWHUIS-BXUZGUMPSA-N 0 3 249.402 3.140 20 0 BGADHN CCn1nc(C)c(CN(C)[C@H]2CC[C@H](C)C2)c1C ZINC000433052581 387857030 /nfs/dbraw/zinc/85/70/30/387857030.db2.gz MWFWURIXBWHUIS-FZMZJTMJSA-N 0 3 249.402 3.140 20 0 BGADHN CCn1nc(C)c(CN(C)[C@H]2CC[C@@H](C)C2)c1C ZINC000433052582 387856558 /nfs/dbraw/zinc/85/65/58/387856558.db2.gz MWFWURIXBWHUIS-RISCZKNCSA-N 0 3 249.402 3.140 20 0 BGADHN CCn1nc(C)c(CN(C)[C@@H]2CC[C@H](C)C2)c1C ZINC000433052583 387856458 /nfs/dbraw/zinc/85/64/58/387856458.db2.gz MWFWURIXBWHUIS-SMDDNHRTSA-N 0 3 249.402 3.140 20 0 BGADHN C[C@H]1CC[C@H](N(C)Cc2cccc3c2OCO3)C1 ZINC000433053183 387856411 /nfs/dbraw/zinc/85/64/11/387856411.db2.gz PDLRDIUYFCUSEE-AAEUAGOBSA-N 0 3 247.338 3.036 20 0 BGADHN C[C@@H]1CC[C@@H](N(C)Cc2cccc3c2OCO3)C1 ZINC000433053184 387856680 /nfs/dbraw/zinc/85/66/80/387856680.db2.gz PDLRDIUYFCUSEE-DGCLKSJQSA-N 0 3 247.338 3.036 20 0 BGADHN C[C@H]1CC[C@@H](N(C)Cc2cccc3c2OCO3)C1 ZINC000433053185 387856821 /nfs/dbraw/zinc/85/68/21/387856821.db2.gz PDLRDIUYFCUSEE-WCQYABFASA-N 0 3 247.338 3.036 20 0 BGADHN C[C@@H]1CC[C@H](N(C)Cc2cccc3c2OCO3)C1 ZINC000433053186 387856921 /nfs/dbraw/zinc/85/69/21/387856921.db2.gz PDLRDIUYFCUSEE-YPMHNXCESA-N 0 3 247.338 3.036 20 0 BGADHN COc1ccsc1CN(C)[C@@H]1CC[C@@H](C)C1 ZINC000433053722 387857394 /nfs/dbraw/zinc/85/73/94/387857394.db2.gz QKETTZWZCSPNRM-GHMZBOCLSA-N 0 3 239.384 3.377 20 0 BGADHN COc1ccsc1CN(C)[C@H]1CC[C@@H](C)C1 ZINC000433053723 387857380 /nfs/dbraw/zinc/85/73/80/387857380.db2.gz QKETTZWZCSPNRM-MNOVXSKESA-N 0 3 239.384 3.377 20 0 BGADHN COc1ccsc1CN(C)[C@H]1CC[C@H](C)C1 ZINC000433053724 387856778 /nfs/dbraw/zinc/85/67/78/387856778.db2.gz QKETTZWZCSPNRM-QWRGUYRKSA-N 0 3 239.384 3.377 20 0 BGADHN COc1ccsc1CN(C)[C@@H]1CC[C@H](C)C1 ZINC000433053725 387856809 /nfs/dbraw/zinc/85/68/09/387856809.db2.gz QKETTZWZCSPNRM-WDEREUQCSA-N 0 3 239.384 3.377 20 0 BGADHN Cc1ccoc1CN1CCc2cccc(C)c2C1 ZINC000433054930 387856716 /nfs/dbraw/zinc/85/67/16/387856716.db2.gz CYHZXPHQZVORJF-UHFFFAOYSA-N 0 3 241.334 3.455 20 0 BGADHN CC1(C)CC(N[C@@H]2CCOc3c(F)cccc32)C1 ZINC000433057277 387857875 /nfs/dbraw/zinc/85/78/75/387857875.db2.gz KXYIDSYJGCCFKL-CYBMUJFWSA-N 0 3 249.329 3.428 20 0 BGADHN C[C@H]1CC[C@H]([N@@H+](C)Cc2cc([O-])cc(F)c2)C1 ZINC000433060687 387859203 /nfs/dbraw/zinc/85/92/03/387859203.db2.gz ZWJYMWPEBVVCTM-GWCFXTLKSA-N 0 3 237.318 3.152 20 0 BGADHN C[C@H]1CC[C@H]([N@H+](C)Cc2cc([O-])cc(F)c2)C1 ZINC000433060687 387859198 /nfs/dbraw/zinc/85/91/98/387859198.db2.gz ZWJYMWPEBVVCTM-GWCFXTLKSA-N 0 3 237.318 3.152 20 0 BGADHN C[C@H]1CC[C@@H]([N@@H+](C)Cc2cc([O-])cc(F)c2)C1 ZINC000433060688 387859364 /nfs/dbraw/zinc/85/93/64/387859364.db2.gz ZWJYMWPEBVVCTM-GXFFZTMASA-N 0 3 237.318 3.152 20 0 BGADHN C[C@H]1CC[C@@H]([N@H+](C)Cc2cc([O-])cc(F)c2)C1 ZINC000433060688 387859361 /nfs/dbraw/zinc/85/93/61/387859361.db2.gz ZWJYMWPEBVVCTM-GXFFZTMASA-N 0 3 237.318 3.152 20 0 BGADHN C[C@@H]1CC[C@H]([N@@H+](C)Cc2cc([O-])cc(F)c2)C1 ZINC000433060690 387859341 /nfs/dbraw/zinc/85/93/41/387859341.db2.gz ZWJYMWPEBVVCTM-MFKMUULPSA-N 0 3 237.318 3.152 20 0 BGADHN C[C@@H]1CC[C@H]([N@H+](C)Cc2cc([O-])cc(F)c2)C1 ZINC000433060690 387859335 /nfs/dbraw/zinc/85/93/35/387859335.db2.gz ZWJYMWPEBVVCTM-MFKMUULPSA-N 0 3 237.318 3.152 20 0 BGADHN C[C@@H]1CC[C@@H]([N@@H+](C)Cc2cc([O-])cc(F)c2)C1 ZINC000433060692 387859224 /nfs/dbraw/zinc/85/92/24/387859224.db2.gz ZWJYMWPEBVVCTM-ZWNOBZJWSA-N 0 3 237.318 3.152 20 0 BGADHN C[C@@H]1CC[C@@H]([N@H+](C)Cc2cc([O-])cc(F)c2)C1 ZINC000433060692 387859219 /nfs/dbraw/zinc/85/92/19/387859219.db2.gz ZWJYMWPEBVVCTM-ZWNOBZJWSA-N 0 3 237.318 3.152 20 0 BGADHN CC1(C)CC(N[C@H]2CCOc3c(F)cccc32)C1 ZINC000433061560 192981716 /nfs/dbraw/zinc/98/17/16/192981716.db2.gz KXYIDSYJGCCFKL-ZDUSSCGKSA-N 0 3 249.329 3.428 20 0 BGADHN COCC[C@@H](C)N(C)Cc1ccccc1Cl ZINC000433068266 537872238 /nfs/dbraw/zinc/87/22/38/537872238.db2.gz QWWZAQMTVBMVQL-LLVKDONJSA-N 0 3 241.762 3.197 20 0 BGADHN COCC[C@H](C)N(C)Cc1ccccc1Cl ZINC000433068268 537871903 /nfs/dbraw/zinc/87/19/03/537871903.db2.gz QWWZAQMTVBMVQL-NSHDSACASA-N 0 3 241.762 3.197 20 0 BGADHN CC1(C)CC(NCc2ccc3c(n2)CCCC3)C1 ZINC000433093914 387864076 /nfs/dbraw/zinc/86/40/76/387864076.db2.gz AKMHUQPXRRTXIZ-UHFFFAOYSA-N 0 3 244.382 3.239 20 0 BGADHN CCCOc1ccc(CNC2CC(C)(C)C2)cn1 ZINC000433123227 387867892 /nfs/dbraw/zinc/86/78/92/387867892.db2.gz YLARGYSKRHIJAK-UHFFFAOYSA-N 0 3 248.370 3.149 20 0 BGADHN CCCOc1ncccc1CNC1CC(C)(C)C1 ZINC000433147119 387872014 /nfs/dbraw/zinc/87/20/14/387872014.db2.gz NGBMVYVACVZVPY-UHFFFAOYSA-N 0 3 248.370 3.149 20 0 BGADHN CC(C)Oc1ccc(CNC2CC(C)(C)C2)cn1 ZINC000433151946 387871047 /nfs/dbraw/zinc/87/10/47/387871047.db2.gz KBNPZVJIYIIGSK-UHFFFAOYSA-N 0 3 248.370 3.147 20 0 BGADHN Cn1nccc1[C@@H]1CCCCN1CC1(C)CCC1 ZINC000433186571 201166455 /nfs/dbraw/zinc/16/64/55/201166455.db2.gz FKGGJDIYELYQKP-AWEZNQCLSA-N 0 3 247.386 3.137 20 0 BGADHN Cn1nccc1[C@H]1CCCCN1CC1(C)CCC1 ZINC000433186573 201165155 /nfs/dbraw/zinc/16/51/55/201165155.db2.gz FKGGJDIYELYQKP-CQSZACIVSA-N 0 3 247.386 3.137 20 0 BGADHN CC1(CN2CCCC[C@@H]2c2cc[nH]n2)CCC1 ZINC000433193658 201166709 /nfs/dbraw/zinc/16/67/09/201166709.db2.gz SABDUAJEYONCMB-CYBMUJFWSA-N 0 3 233.359 3.127 20 0 BGADHN CC1(CN2CCCC[C@H]2c2cc[nH]n2)CCC1 ZINC000433193659 201165653 /nfs/dbraw/zinc/16/56/53/201165653.db2.gz SABDUAJEYONCMB-ZDUSSCGKSA-N 0 3 233.359 3.127 20 0 BGADHN CC(C)c1ncc(CN(C)CC2(C)CCC2)cn1 ZINC000433194261 201169654 /nfs/dbraw/zinc/16/96/54/201169654.db2.gz MSHCKMHTQVYNAW-UHFFFAOYSA-N 0 3 247.386 3.222 20 0 BGADHN Cc1noc(C)c1C(C)(C)NCC1(C)CCC1 ZINC000433199846 201168483 /nfs/dbraw/zinc/16/84/83/201168483.db2.gz NDBJMOYLOMCRBV-UHFFFAOYSA-N 0 3 236.359 3.306 20 0 BGADHN CC(C)CNc1cccc2c1OCC[C@@H]2N(C)C ZINC000433202052 201167539 /nfs/dbraw/zinc/16/75/39/201167539.db2.gz YVBQLSMEUJJPQB-AWEZNQCLSA-N 0 3 248.370 3.140 20 0 BGADHN CC(C)CNc1cccc2c1OCC[C@H]2N(C)C ZINC000433202054 201167584 /nfs/dbraw/zinc/16/75/84/201167584.db2.gz YVBQLSMEUJJPQB-CQSZACIVSA-N 0 3 248.370 3.140 20 0 BGADHN COCC[C@@H](NC1CC(C)(C)C1)c1ccco1 ZINC000433218711 201171062 /nfs/dbraw/zinc/17/10/62/201171062.db2.gz HMDVXKZNZRULQL-GFCCVEGCSA-N 0 3 237.343 3.135 20 0 BGADHN COCC[C@H](NC1CC(C)(C)C1)c1ccco1 ZINC000433218712 201171455 /nfs/dbraw/zinc/17/14/55/201171455.db2.gz HMDVXKZNZRULQL-LBPRGKRZSA-N 0 3 237.343 3.135 20 0 BGADHN CCCCn1cc(CNC2CC(C)(C)C2)c(C)n1 ZINC000433222858 201171692 /nfs/dbraw/zinc/17/16/92/201171692.db2.gz XVYFMWZWPRQBOX-UHFFFAOYSA-N 0 3 249.402 3.270 20 0 BGADHN CC1(C)CC(N[C@@H]2COc3ccc(F)cc32)C1 ZINC000433229242 201170774 /nfs/dbraw/zinc/17/07/74/201170774.db2.gz BQRMXSGWHPRULI-GFCCVEGCSA-N 0 3 235.302 3.037 20 0 BGADHN CC1(C)CC(N[C@H]2COc3ccc(F)cc32)C1 ZINC000433229245 201171946 /nfs/dbraw/zinc/17/19/46/201171946.db2.gz BQRMXSGWHPRULI-LBPRGKRZSA-N 0 3 235.302 3.037 20 0 BGADHN CN(CCCF)Cc1ccc(F)c(Cl)c1 ZINC000433232535 201172395 /nfs/dbraw/zinc/17/23/95/201172395.db2.gz MGJIMIPVPSGBKD-UHFFFAOYSA-N 0 3 233.689 3.271 20 0 BGADHN Cc1cccc2nc(CNC3CC(C)(C)C3)[nH]c21 ZINC000433278800 201173501 /nfs/dbraw/zinc/17/35/01/201173501.db2.gz LNJWEFBHTGYEDS-UHFFFAOYSA-N 0 3 243.354 3.150 20 0 BGADHN Cc1cccc2[nH]c(CNC3CC(C)(C)C3)nc21 ZINC000433278800 201173498 /nfs/dbraw/zinc/17/34/98/201173498.db2.gz LNJWEFBHTGYEDS-UHFFFAOYSA-N 0 3 243.354 3.150 20 0 BGADHN COc1cc(C)ccc1CNC1CC(C)(C)C1 ZINC000433283026 201175238 /nfs/dbraw/zinc/17/52/38/201175238.db2.gz NSRPFZHVHIGAMW-UHFFFAOYSA-N 0 3 233.355 3.282 20 0 BGADHN Cc1ccc2nc(CNC3CC(C)(C)C3)[nH]c2c1 ZINC000433289533 201177293 /nfs/dbraw/zinc/17/72/93/201177293.db2.gz QCOYJXJAGUKWJD-UHFFFAOYSA-N 0 3 243.354 3.150 20 0 BGADHN Cc1ccc2[nH]c(CNC3CC(C)(C)C3)nc2c1 ZINC000433289533 201177288 /nfs/dbraw/zinc/17/72/88/201177288.db2.gz QCOYJXJAGUKWJD-UHFFFAOYSA-N 0 3 243.354 3.150 20 0 BGADHN COC[C@@H](NC1CC(C)(C)C1)c1ccc(C)o1 ZINC000433293811 201174315 /nfs/dbraw/zinc/17/43/15/201174315.db2.gz IAEGQLRWHSKMLW-GFCCVEGCSA-N 0 3 237.343 3.054 20 0 BGADHN COC[C@H](NC1CC(C)(C)C1)c1ccc(C)o1 ZINC000433293812 201174820 /nfs/dbraw/zinc/17/48/20/201174820.db2.gz IAEGQLRWHSKMLW-LBPRGKRZSA-N 0 3 237.343 3.054 20 0 BGADHN CCc1noc(CC)c1CNC1CC(C)(C)C1 ZINC000433297362 201177508 /nfs/dbraw/zinc/17/75/08/201177508.db2.gz KZJFNBAIRFBPCM-UHFFFAOYSA-N 0 3 236.359 3.078 20 0 BGADHN CC(C)CCCNCc1ccc(-c2cc[nH]n2)o1 ZINC000433298823 201176597 /nfs/dbraw/zinc/17/65/97/201176597.db2.gz AAPJRLWLWMKICB-UHFFFAOYSA-N 0 3 247.342 3.196 20 0 BGADHN FCCCN1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433312862 201179522 /nfs/dbraw/zinc/17/95/22/201179522.db2.gz NOSAGAAYGPTDPO-GFCCVEGCSA-N 0 3 241.737 3.489 20 0 BGADHN FCCCN1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433312864 201177865 /nfs/dbraw/zinc/17/78/65/201177865.db2.gz NOSAGAAYGPTDPO-LBPRGKRZSA-N 0 3 241.737 3.489 20 0 BGADHN CC(C)(C)CCNCc1ccc(-c2cc[nH]n2)o1 ZINC000433319327 201182037 /nfs/dbraw/zinc/18/20/37/201182037.db2.gz IOVBWLAQZNARJK-UHFFFAOYSA-N 0 3 247.342 3.196 20 0 BGADHN CCC(C)(C)CNCc1ccc(-c2cc[nH]n2)o1 ZINC000433331796 201181021 /nfs/dbraw/zinc/18/10/21/201181021.db2.gz PCQSJQUYOICTTN-UHFFFAOYSA-N 0 3 247.342 3.196 20 0 BGADHN CCC1(NCc2ccc(-c3cc[nH]n3)o2)CCC1 ZINC000433339719 201181184 /nfs/dbraw/zinc/18/11/84/201181184.db2.gz BKCBUKUASMVJID-UHFFFAOYSA-N 0 3 245.326 3.092 20 0 BGADHN CC(C)=CCCNCc1ccc(-c2cc[nH]n2)o1 ZINC000433345278 201182230 /nfs/dbraw/zinc/18/22/30/201182230.db2.gz WMBFCSPCQJLQIJ-UHFFFAOYSA-N 0 3 245.326 3.116 20 0 BGADHN FCCCN1CCC(F)(c2ccccc2)CC1 ZINC000434492209 201223933 /nfs/dbraw/zinc/22/39/33/201223933.db2.gz NECGBXGMWCRDTJ-UHFFFAOYSA-N 0 3 239.309 3.307 20 0 BGADHN Fc1cccc2c1OCCN(CC1CCCC1)C2 ZINC000434611245 201229620 /nfs/dbraw/zinc/22/96/20/201229620.db2.gz FECBRSCBFHUEMX-UHFFFAOYSA-N 0 3 249.329 3.210 20 0 BGADHN CC[C@@H](C)CN1CCOc2c(F)cccc2C1 ZINC000434620959 201229866 /nfs/dbraw/zinc/22/98/66/201229866.db2.gz NNLZTNLNYKQVKG-LLVKDONJSA-N 0 3 237.318 3.066 20 0 BGADHN CC[C@H](C)CN1CCOc2c(F)cccc2C1 ZINC000434620960 201229305 /nfs/dbraw/zinc/22/93/05/201229305.db2.gz NNLZTNLNYKQVKG-NSHDSACASA-N 0 3 237.318 3.066 20 0 BGADHN CCNCc1nc(CCC2CCCC2)cs1 ZINC000434658310 201232178 /nfs/dbraw/zinc/23/21/78/201232178.db2.gz CFIASHDHDXRGBZ-UHFFFAOYSA-N 0 3 238.400 3.375 20 0 BGADHN CNCc1nc(-c2ccc(C)c(C)c2)c(C)s1 ZINC000434658913 201231175 /nfs/dbraw/zinc/23/11/75/201231175.db2.gz JWLHYIZRUFBNLL-UHFFFAOYSA-N 0 3 246.379 3.455 20 0 BGADHN CC(C)CCc1csc(C2(N)CCCC2)n1 ZINC000434660891 201231594 /nfs/dbraw/zinc/23/15/94/201231594.db2.gz FMMQZANQHUPKCS-UHFFFAOYSA-N 0 3 238.400 3.460 20 0 BGADHN CCc1noc(CC)c1CNCC1(C)CCC1 ZINC000434754801 541390406 /nfs/dbraw/zinc/39/04/06/541390406.db2.gz JMRWJVBMMAMGIK-UHFFFAOYSA-N 0 3 236.359 3.079 20 0 BGADHN CCCOc1ncccc1CNCC1(C)CCC1 ZINC000434767727 537898127 /nfs/dbraw/zinc/89/81/27/537898127.db2.gz XAKJUPCLMURGCE-UHFFFAOYSA-N 0 3 248.370 3.150 20 0 BGADHN Cc1ccc2nc(CNCC3(C)CCC3)[nH]c2c1 ZINC000434771802 537901216 /nfs/dbraw/zinc/90/12/16/537901216.db2.gz DXZVKPUCUKVTMP-UHFFFAOYSA-N 0 3 243.354 3.151 20 0 BGADHN Cc1ccc2[nH]c(CNCC3(C)CCC3)nc2c1 ZINC000434771802 537901209 /nfs/dbraw/zinc/90/12/09/537901209.db2.gz DXZVKPUCUKVTMP-UHFFFAOYSA-N 0 3 243.354 3.151 20 0 BGADHN [O-]c1cc(F)cc(C[NH2+]C2CCC3(CC3)CC2)c1 ZINC000434778082 201239161 /nfs/dbraw/zinc/23/91/61/201239161.db2.gz QTKXHGYHYSDHOM-UHFFFAOYSA-N 0 3 249.329 3.344 20 0 BGADHN Cc1cccc2[nH]c(CNCC3(C)CCC3)nc21 ZINC000434778232 537901247 /nfs/dbraw/zinc/90/12/47/537901247.db2.gz SEFPRMKTTJSGMT-UHFFFAOYSA-N 0 3 243.354 3.151 20 0 BGADHN CN(C)Cc1cccc(NCC2(C)CCC2)c1 ZINC000434779802 537900342 /nfs/dbraw/zinc/90/03/42/537900342.db2.gz WHNLQGXRWXNWOK-UHFFFAOYSA-N 0 3 232.371 3.350 20 0 BGADHN c1cc(-c2ccc(CN3CCCCCC3)o2)n[nH]1 ZINC000434834376 201242481 /nfs/dbraw/zinc/24/24/81/201242481.db2.gz QDSILNWHHCXODY-UHFFFAOYSA-N 0 3 245.326 3.046 20 0 BGADHN C[C@@H]1CCCCN1Cc1ccc(-c2cc[nH]n2)o1 ZINC000434834425 201243439 /nfs/dbraw/zinc/24/34/39/201243439.db2.gz QOYCESACYPWEPK-LLVKDONJSA-N 0 3 245.326 3.044 20 0 BGADHN C[C@H]1CCCCN1Cc1ccc(-c2cc[nH]n2)o1 ZINC000434834426 201243665 /nfs/dbraw/zinc/24/36/65/201243665.db2.gz QOYCESACYPWEPK-NSHDSACASA-N 0 3 245.326 3.044 20 0 BGADHN CCCN(CC)Cc1cc(C)ccc1F ZINC000434980740 201248676 /nfs/dbraw/zinc/24/86/76/201248676.db2.gz AXUCFOKSXWQZLB-UHFFFAOYSA-N 0 3 209.308 3.366 20 0 BGADHN CCCN(CC)Cc1cc(F)c(F)c(F)c1 ZINC000434982267 201247726 /nfs/dbraw/zinc/24/77/26/201247726.db2.gz OEVWPARFRRZMOI-UHFFFAOYSA-N 0 3 231.261 3.336 20 0 BGADHN CCCN(CC)Cc1cc(-c2ccccc2)n[nH]1 ZINC000434983837 201248213 /nfs/dbraw/zinc/24/82/13/201248213.db2.gz WZPRCGXBYYJIQO-UHFFFAOYSA-N 0 3 243.354 3.309 20 0 BGADHN CCCN(CC)Cc1c(C)nn(CCC)c1C ZINC000434988810 201248141 /nfs/dbraw/zinc/24/81/41/201248141.db2.gz WQNSLMPMJLKOGA-UHFFFAOYSA-N 0 3 237.391 3.142 20 0 BGADHN CCCN(CC)Cc1cnc(C(C)C)s1 ZINC000434991847 201247500 /nfs/dbraw/zinc/24/75/00/201247500.db2.gz PBCGEEDBJIYRMT-UHFFFAOYSA-N 0 3 226.389 3.498 20 0 BGADHN CCCN(CC)Cc1cccc2c1OCCCO2 ZINC000434993015 201248587 /nfs/dbraw/zinc/24/85/87/201248587.db2.gz WDTUUTNEBYTFEI-UHFFFAOYSA-N 0 3 249.354 3.080 20 0 BGADHN CCCN(Cc1ccc(-c2cc[nH]n2)o1)C1CC1 ZINC000435122813 201250289 /nfs/dbraw/zinc/25/02/89/201250289.db2.gz CHGRPIFYEVQEJK-UHFFFAOYSA-N 0 3 245.326 3.044 20 0 BGADHN CC(C)N(Cc1ccc(-c2cc[nH]n2)o1)C1CC1 ZINC000435128502 201253220 /nfs/dbraw/zinc/25/32/20/201253220.db2.gz DPWQXIXQRCEPFM-UHFFFAOYSA-N 0 3 245.326 3.043 20 0 BGADHN CCN(Cc1ccc(-c2cc[nH]n2)o1)C1CCC1 ZINC000435129269 201251607 /nfs/dbraw/zinc/25/16/07/201251607.db2.gz MKQXWRINRWOMKT-UHFFFAOYSA-N 0 3 245.326 3.044 20 0 BGADHN CN(Cc1ccc(-c2cc[nH]n2)o1)CC(C)(C)C ZINC000435132745 201252397 /nfs/dbraw/zinc/25/23/97/201252397.db2.gz LHPZOLGBZVLMJH-UHFFFAOYSA-N 0 3 247.342 3.148 20 0 BGADHN CCCN(Cc1cnc(CC)s1)CC1CC1 ZINC000435230877 201258034 /nfs/dbraw/zinc/25/80/34/201258034.db2.gz FEZRXXIOADRSAB-UHFFFAOYSA-N 0 3 238.400 3.328 20 0 BGADHN CC1=CCCN(c2ccnc3ccccc32)C1 ZINC000435600029 201279679 /nfs/dbraw/zinc/27/96/79/201279679.db2.gz XLBYPKBMZAOCMZ-UHFFFAOYSA-N 0 3 224.307 3.391 20 0 BGADHN CN(Cc1ccc(Cl)o1)CC1CCC1 ZINC000435770685 201288630 /nfs/dbraw/zinc/28/86/30/201288630.db2.gz GYIQJCBPYXRFRJ-UHFFFAOYSA-N 0 3 213.708 3.165 20 0 BGADHN Cc1ccc(F)c(CN(C)CC2CCC2)c1 ZINC000435773937 201287543 /nfs/dbraw/zinc/28/75/43/201287543.db2.gz XPUBUGWHMFVQBO-UHFFFAOYSA-N 0 3 221.319 3.366 20 0 BGADHN CCc1ccccc1CN1CCO[C@H]2CCC[C@@H]21 ZINC000435894886 201296520 /nfs/dbraw/zinc/29/65/20/201296520.db2.gz YBDWPGANTXXFDZ-HOTGVXAUSA-N 0 3 245.366 3.002 20 0 BGADHN CCc1ccccc1CN1CCO[C@@H]2CCC[C@H]21 ZINC000435894887 201294711 /nfs/dbraw/zinc/29/47/11/201294711.db2.gz YBDWPGANTXXFDZ-HZPDHXFCSA-N 0 3 245.366 3.002 20 0 BGADHN CCc1ccccc1CN1CCO[C@@H]2CCC[C@@H]21 ZINC000435894888 201294761 /nfs/dbraw/zinc/29/47/61/201294761.db2.gz YBDWPGANTXXFDZ-JKSUJKDBSA-N 0 3 245.366 3.002 20 0 BGADHN CCC(C)(C)CCN1CCO[C@@H]2CCC[C@H]21 ZINC000436092552 201308253 /nfs/dbraw/zinc/30/82/53/201308253.db2.gz RALPQAWKUBPOCK-CHWSQXEVSA-N 0 3 225.376 3.066 20 0 BGADHN CCC(C)(C)CCN1CCO[C@@H]2CCC[C@@H]21 ZINC000436092553 201307877 /nfs/dbraw/zinc/30/78/77/201307877.db2.gz RALPQAWKUBPOCK-QWHCGFSZSA-N 0 3 225.376 3.066 20 0 BGADHN CCC(C)(C)CCN1CCO[C@H]2CCC[C@@H]21 ZINC000436092554 201308611 /nfs/dbraw/zinc/30/86/11/201308611.db2.gz RALPQAWKUBPOCK-STQMWFEESA-N 0 3 225.376 3.066 20 0 BGADHN CCc1ccccc1CCSCCN(C)C ZINC000436199369 201314738 /nfs/dbraw/zinc/31/47/38/201314738.db2.gz SNKBMMZRUKAZLU-UHFFFAOYSA-N 0 3 237.412 3.086 20 0 BGADHN CC1=CCCN(Cc2ccc3c(c2)CCC3)C1 ZINC000436250862 201316565 /nfs/dbraw/zinc/31/65/65/201316565.db2.gz HAYHKOKBLZCPGG-UHFFFAOYSA-N 0 3 227.351 3.327 20 0 BGADHN Cc1cc(F)ccc1CN1CCC=C(C)C1 ZINC000436252410 201315358 /nfs/dbraw/zinc/31/53/58/201315358.db2.gz IUZAXQUZMDRERI-UHFFFAOYSA-N 0 3 219.303 3.286 20 0 BGADHN COc1cccc([C@@H](C)N2CCC=C(C)C2)c1 ZINC000436254561 201317565 /nfs/dbraw/zinc/31/75/65/201317565.db2.gz VEDVDEQGBDODKI-CYBMUJFWSA-N 0 3 231.339 3.408 20 0 BGADHN COc1cccc([C@H](C)N2CCC=C(C)C2)c1 ZINC000436254562 201317201 /nfs/dbraw/zinc/31/72/01/201317201.db2.gz VEDVDEQGBDODKI-ZDUSSCGKSA-N 0 3 231.339 3.408 20 0 BGADHN Cc1ccc(C)c(OCCN2CCC=C(C)C2)c1 ZINC000436257138 201316341 /nfs/dbraw/zinc/31/63/41/201316341.db2.gz DADCIGNQQVJPRW-UHFFFAOYSA-N 0 3 245.366 3.334 20 0 BGADHN CC1=CCCN(C/C=C\c2ccccc2)C1 ZINC000436258320 201315915 /nfs/dbraw/zinc/31/59/15/201315915.db2.gz AYTVTFFLYPJBKL-POHAHGRESA-N 0 3 213.324 3.352 20 0 BGADHN CC1=CCCN(C/C=C/c2ccccc2)C1 ZINC000436258321 201316450 /nfs/dbraw/zinc/31/64/50/201316450.db2.gz AYTVTFFLYPJBKL-UXBLZVDNSA-N 0 3 213.324 3.352 20 0 BGADHN CC1=CCCN(CCO[C@H]2CCCC[C@H]2C)C1 ZINC000436258506 201317997 /nfs/dbraw/zinc/31/79/97/201317997.db2.gz HTCHZDZSSXWVTB-CABCVRRESA-N 0 3 237.387 3.234 20 0 BGADHN CC1=CCCN(CCO[C@H]2CCCC[C@@H]2C)C1 ZINC000436258508 201316632 /nfs/dbraw/zinc/31/66/32/201316632.db2.gz HTCHZDZSSXWVTB-GJZGRUSLSA-N 0 3 237.387 3.234 20 0 BGADHN CC1=CCCN(CCO[C@@H]2CCCC[C@H]2C)C1 ZINC000436258510 201317671 /nfs/dbraw/zinc/31/76/71/201317671.db2.gz HTCHZDZSSXWVTB-HUUCEWRRSA-N 0 3 237.387 3.234 20 0 BGADHN CC1=CCCN(CCO[C@@H]2CCCC[C@@H]2C)C1 ZINC000436258511 201316891 /nfs/dbraw/zinc/31/68/91/201316891.db2.gz HTCHZDZSSXWVTB-LSDHHAIUSA-N 0 3 237.387 3.234 20 0 BGADHN CC1=CCCN(CCSc2ccccc2)C1 ZINC000436258696 201316408 /nfs/dbraw/zinc/31/64/08/201316408.db2.gz JBEKYSGXAXWQAY-UHFFFAOYSA-N 0 3 233.380 3.431 20 0 BGADHN CC1=CCCN([C@H]2CCc3ccc(F)cc32)C1 ZINC000436258969 201315668 /nfs/dbraw/zinc/31/56/68/201315668.db2.gz CUYFINPJRGTMLI-HNNXBMFYSA-N 0 3 231.314 3.465 20 0 BGADHN CC1=CCCN([C@@H]2CCc3ccc(F)cc32)C1 ZINC000436258976 201317211 /nfs/dbraw/zinc/31/72/11/201317211.db2.gz CUYFINPJRGTMLI-OAHLLOKOSA-N 0 3 231.314 3.465 20 0 BGADHN CC1=CCCN(CCOC2CCCCCC2)C1 ZINC000436262241 541393078 /nfs/dbraw/zinc/39/30/78/541393078.db2.gz LDNYNXUNKSUKNO-UHFFFAOYSA-N 0 3 237.387 3.378 20 0 BGADHN Cc1cccc(OCCN2CCC=C(C)C2)c1 ZINC000436262891 201315870 /nfs/dbraw/zinc/31/58/70/201315870.db2.gz GGYBWQLIPKCGCL-UHFFFAOYSA-N 0 3 231.339 3.026 20 0 BGADHN CCOc1ccc(CN2CCC=C(C)C2)cc1 ZINC000436262953 201315514 /nfs/dbraw/zinc/31/55/14/201315514.db2.gz REGKHROFKAJQCV-UHFFFAOYSA-N 0 3 231.339 3.237 20 0 BGADHN CC1=CCCN(CCc2ccc(F)c(F)c2)C1 ZINC000436262975 201317222 /nfs/dbraw/zinc/31/72/22/201317222.db2.gz RHORJALXKSXPMD-UHFFFAOYSA-N 0 3 237.293 3.159 20 0 BGADHN CCOc1ccccc1CN1CCC=C(C)C1 ZINC000436264332 201315620 /nfs/dbraw/zinc/31/56/20/201315620.db2.gz JQEFOYSKADFZGC-UHFFFAOYSA-N 0 3 231.339 3.237 20 0 BGADHN CC1=CCCN(CCCOc2ccc(F)cc2)C1 ZINC000436266582 201317127 /nfs/dbraw/zinc/31/71/27/201317127.db2.gz ANNMBAGSAJZVEF-UHFFFAOYSA-N 0 3 249.329 3.247 20 0 BGADHN COc1ccc(C)cc1CN1CCC=C(C)C1 ZINC000436266728 201315521 /nfs/dbraw/zinc/31/55/21/201315521.db2.gz OTJITCZSQUTCAS-UHFFFAOYSA-N 0 3 231.339 3.156 20 0 BGADHN CC1=CCCN(CCCCC(F)(F)F)C1 ZINC000436267729 201316195 /nfs/dbraw/zinc/31/61/95/201316195.db2.gz RPSNPQFDAZEQIQ-UHFFFAOYSA-N 0 3 221.266 3.371 20 0 BGADHN Cc1cccc(C)c1OCCN1CCC=C(C)C1 ZINC000436268457 201316374 /nfs/dbraw/zinc/31/63/74/201316374.db2.gz UJEIPVRCVWCYIN-UHFFFAOYSA-N 0 3 245.366 3.334 20 0 BGADHN Cc1ccc(F)cc1CN1CCC=C(C)C1 ZINC000436268986 201317295 /nfs/dbraw/zinc/31/72/95/201317295.db2.gz JDPHBKUKGOOWFI-UHFFFAOYSA-N 0 3 219.303 3.286 20 0 BGADHN Cc1ccc(C(=O)CCN2CCC=C(C)C2)cc1 ZINC000436269274 201317917 /nfs/dbraw/zinc/31/79/17/201317917.db2.gz KMIZVERCGUCAKP-UHFFFAOYSA-N 0 3 243.350 3.220 20 0 BGADHN CC1=CCCN(CCc2ccccc2F)C1 ZINC000436269353 201317263 /nfs/dbraw/zinc/31/72/63/201317263.db2.gz XTPYXLOPICHNIU-UHFFFAOYSA-N 0 3 219.303 3.020 20 0 BGADHN CCc1cccc(CN2CCC=C(C)C2)c1 ZINC000436270220 201315858 /nfs/dbraw/zinc/31/58/58/201315858.db2.gz OBUUFDFSBBXPKK-UHFFFAOYSA-N 0 3 215.340 3.401 20 0 BGADHN CC1=CCCN(CCCc2ccsc2)C1 ZINC000436273595 201319064 /nfs/dbraw/zinc/31/90/64/201319064.db2.gz WHKRSYFGGUQKIF-UHFFFAOYSA-N 0 3 221.369 3.333 20 0 BGADHN CC(C)(CF)NCc1cc2c(cccc2F)[nH]1 ZINC000436406816 201324817 /nfs/dbraw/zinc/32/48/17/201324817.db2.gz DNTVJTDQUUVXBL-UHFFFAOYSA-N 0 3 238.281 3.145 20 0 BGADHN COc1cc(CNC2CC(C(C)(C)C)C2)ccn1 ZINC000436469050 201325848 /nfs/dbraw/zinc/32/58/48/201325848.db2.gz SSSCHKBNJYVBAN-UHFFFAOYSA-N 0 3 248.370 3.005 20 0 BGADHN CC(C)(C)C1CC(N[C@H](CO)c2ccccc2)C1 ZINC000436470703 201329725 /nfs/dbraw/zinc/32/97/25/201329725.db2.gz NRUYFXJHILNSRJ-YMAMQOFZSA-N 0 3 247.382 3.134 20 0 BGADHN Cc1cnc(CNC2CC(C(C)(C)C)C2)s1 ZINC000436472244 201328514 /nfs/dbraw/zinc/32/85/14/201328514.db2.gz YBDKZQRFRMVBTH-UHFFFAOYSA-N 0 3 238.400 3.366 20 0 BGADHN COc1cc(CN2CCC(C)CC2)ccc1C ZINC000436481484 201326172 /nfs/dbraw/zinc/32/61/72/201326172.db2.gz BBZSEKYWNVRYQO-UHFFFAOYSA-N 0 3 233.355 3.236 20 0 BGADHN COc1cc(CN2CCCC[C@H]2C)ccc1C ZINC000436482136 201330065 /nfs/dbraw/zinc/33/00/65/201330065.db2.gz GZCZRKHCLOJMEX-CYBMUJFWSA-N 0 3 233.355 3.378 20 0 BGADHN COc1cc(CN2CCCC[C@@H]2C)ccc1C ZINC000436482137 201329408 /nfs/dbraw/zinc/32/94/08/201329408.db2.gz GZCZRKHCLOJMEX-ZDUSSCGKSA-N 0 3 233.355 3.378 20 0 BGADHN COc1cc(CN2CC=C(C)CC2)ccc1C ZINC000436487054 201329203 /nfs/dbraw/zinc/32/92/03/201329203.db2.gz OWBDAYNPTMQZRW-UHFFFAOYSA-N 0 3 231.339 3.156 20 0 BGADHN Cc1ccccc1[C@@H](C)NCc1cccc(N)c1 ZINC000436489858 201328318 /nfs/dbraw/zinc/32/83/18/201328318.db2.gz WHXWTJQONUEJIH-CYBMUJFWSA-N 0 3 240.350 3.428 20 0 BGADHN Cc1ccccc1[C@H](C)NCc1cccc(N)c1 ZINC000436489862 201328998 /nfs/dbraw/zinc/32/89/98/201328998.db2.gz WHXWTJQONUEJIH-ZDUSSCGKSA-N 0 3 240.350 3.428 20 0 BGADHN Cc1c[nH]nc1CN[C@@H](C)CC1CCCCC1 ZINC000436928289 201339961 /nfs/dbraw/zinc/33/99/61/201339961.db2.gz RUHYVZILZPUSDT-LBPRGKRZSA-N 0 3 235.375 3.167 20 0 BGADHN Cc1c[nH]nc1CN[C@H](C)CC1CCCCC1 ZINC000436928609 385774258 /nfs/dbraw/zinc/77/42/58/385774258.db2.gz RUHYVZILZPUSDT-GFCCVEGCSA-N 0 3 235.375 3.167 20 0 BGADHN CC1CC(N[C@@H]2CCOc3c(F)cccc32)C1 ZINC000437077379 201344526 /nfs/dbraw/zinc/34/45/26/201344526.db2.gz OKANNCAYCFZMBZ-SRHKJQAYSA-N 0 3 235.302 3.037 20 0 BGADHN CCC[C@H](C)N[C@@H]1CCOc2c(F)cccc21 ZINC000437080624 201343798 /nfs/dbraw/zinc/34/37/98/201343798.db2.gz VTUWCZPLIUOSMU-GXFFZTMASA-N 0 3 237.318 3.428 20 0 BGADHN CCC[C@@H](C)N[C@@H]1CCOc2c(F)cccc21 ZINC000437080628 201343913 /nfs/dbraw/zinc/34/39/13/201343913.db2.gz VTUWCZPLIUOSMU-ZWNOBZJWSA-N 0 3 237.318 3.428 20 0 BGADHN COc1cnccc1[C@@H](C)N[C@H]1CCC(C)(C)C1 ZINC000437083406 201344868 /nfs/dbraw/zinc/34/48/68/201344868.db2.gz HNBHIVWXDYKLAJ-NEPJUHHUSA-N 0 3 248.370 3.320 20 0 BGADHN COc1cnccc1[C@H](C)N[C@@H]1CCC(C)(C)C1 ZINC000437083407 201344877 /nfs/dbraw/zinc/34/48/77/201344877.db2.gz HNBHIVWXDYKLAJ-NWDGAFQWSA-N 0 3 248.370 3.320 20 0 BGADHN COc1cnccc1[C@H](C)N[C@H]1CCC(C)(C)C1 ZINC000437083408 201343862 /nfs/dbraw/zinc/34/38/62/201343862.db2.gz HNBHIVWXDYKLAJ-RYUDHWBXSA-N 0 3 248.370 3.320 20 0 BGADHN COc1cnccc1[C@@H](C)N[C@@H]1CCC(C)(C)C1 ZINC000437083409 201343465 /nfs/dbraw/zinc/34/34/65/201343465.db2.gz HNBHIVWXDYKLAJ-VXGBXAGGSA-N 0 3 248.370 3.320 20 0 BGADHN C[C@H](N[C@@H]1CCOc2c(F)cccc21)C1(C)CC1 ZINC000437097887 201343831 /nfs/dbraw/zinc/34/38/31/201343831.db2.gz QHNZVLCGTTVTFX-GXFFZTMASA-N 0 3 249.329 3.428 20 0 BGADHN C[C@@H](N[C@@H]1CCOc2c(F)cccc21)C1(C)CC1 ZINC000437097888 201343633 /nfs/dbraw/zinc/34/36/33/201343633.db2.gz QHNZVLCGTTVTFX-ZWNOBZJWSA-N 0 3 249.329 3.428 20 0 BGADHN CC[C@@H](NCC(C)(C)C(C)C)c1ccn(C)n1 ZINC000437116113 201345407 /nfs/dbraw/zinc/34/54/07/201345407.db2.gz POMBVGKMPQTHGH-GFCCVEGCSA-N 0 3 237.391 3.143 20 0 BGADHN CC[C@H](NCC(C)(C)C(C)C)c1ccn(C)n1 ZINC000437116114 201346147 /nfs/dbraw/zinc/34/61/47/201346147.db2.gz POMBVGKMPQTHGH-LBPRGKRZSA-N 0 3 237.391 3.143 20 0 BGADHN FCCNCc1cccc(-c2ccccc2)c1 ZINC000437242508 537922329 /nfs/dbraw/zinc/92/23/29/537922329.db2.gz DUIAYHBSEIAOQM-UHFFFAOYSA-N 0 3 229.298 3.413 20 0 BGADHN COc1c(C)cc(CN2CCC=C(C)C2)cc1C ZINC000437337813 201351587 /nfs/dbraw/zinc/35/15/87/201351587.db2.gz CUEGPZNLTDEDTO-UHFFFAOYSA-N 0 3 245.366 3.464 20 0 BGADHN COc1ccc(CN2CCC=C(C)C2)cc1C ZINC000437339103 201350885 /nfs/dbraw/zinc/35/08/85/201350885.db2.gz HYRLUWWELJZKHQ-UHFFFAOYSA-N 0 3 231.339 3.156 20 0 BGADHN CC1=CCCN(Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000437343090 201350906 /nfs/dbraw/zinc/35/09/06/201350906.db2.gz JNLPPJUFLOKGGB-UHFFFAOYSA-N 0 3 244.313 3.459 20 0 BGADHN COc1ccccc1/C=C/CN1CCC=C(C)C1 ZINC000437343103 201351674 /nfs/dbraw/zinc/35/16/74/201351674.db2.gz FYUHPYLTCJKVBP-RMKNXTFCSA-N 0 3 243.350 3.360 20 0 BGADHN COc1ccccc1/C=C\CN1CCC=C(C)C1 ZINC000437343104 201350736 /nfs/dbraw/zinc/35/07/36/201350736.db2.gz FYUHPYLTCJKVBP-TWGQIWQCSA-N 0 3 243.350 3.360 20 0 BGADHN CC1=CCCN(C/C=C/c2ccc(F)cc2)C1 ZINC000437343181 201351295 /nfs/dbraw/zinc/35/12/95/201351295.db2.gz KIJLHSJFAYPQEY-HWKANZROSA-N 0 3 231.314 3.491 20 0 BGADHN CC1=CCCN(C/C=C\c2ccc(F)cc2)C1 ZINC000437343182 201350560 /nfs/dbraw/zinc/35/05/60/201350560.db2.gz KIJLHSJFAYPQEY-HYXAFXHYSA-N 0 3 231.314 3.491 20 0 BGADHN Cc1cc(CN2CCC=C(C)C2)ccc1F ZINC000437347212 201350690 /nfs/dbraw/zinc/35/06/90/201350690.db2.gz ZXGMVAUTEQMSTP-UHFFFAOYSA-N 0 3 219.303 3.286 20 0 BGADHN Cc1ccc(F)c(CN2CCC=C(C)C2)c1 ZINC000437347257 201350406 /nfs/dbraw/zinc/35/04/06/201350406.db2.gz MFBKCOOJNXUTPJ-UHFFFAOYSA-N 0 3 219.303 3.286 20 0 BGADHN CCOc1cccc(CN2CCC=C(C)C2)c1 ZINC000437348689 201351972 /nfs/dbraw/zinc/35/19/72/201351972.db2.gz TVDIHPPGMCSNAY-UHFFFAOYSA-N 0 3 231.339 3.237 20 0 BGADHN Cc1ccc(CN2CCC=C(C)C2)s1 ZINC000437349095 201351150 /nfs/dbraw/zinc/35/11/50/201351150.db2.gz XHUOGIWGUODNBS-UHFFFAOYSA-N 0 3 207.342 3.209 20 0 BGADHN Cc1ccc(CN2CCC=C(C)C2)cc1F ZINC000437351702 201350493 /nfs/dbraw/zinc/35/04/93/201350493.db2.gz IFINOCVQPOICTD-UHFFFAOYSA-N 0 3 219.303 3.286 20 0 BGADHN COc1cc(CN2CCC=C(C)C2)ccc1C ZINC000437353638 201351445 /nfs/dbraw/zinc/35/14/45/201351445.db2.gz PZBHHYUEJYNQEO-UHFFFAOYSA-N 0 3 231.339 3.156 20 0 BGADHN Cc1cccc(CN(C)[C@H](C)C2(C)CC2)n1 ZINC000437504206 201355420 /nfs/dbraw/zinc/35/54/20/201355420.db2.gz KPEJBPORBCTDPL-GFCCVEGCSA-N 0 3 218.344 3.010 20 0 BGADHN Cc1cccc(CN(C)[C@@H](C)C2(C)CC2)n1 ZINC000437504207 201355628 /nfs/dbraw/zinc/35/56/28/201355628.db2.gz KPEJBPORBCTDPL-LBPRGKRZSA-N 0 3 218.344 3.010 20 0 BGADHN CCCN(C)Cc1cc2c(cccc2F)[nH]1 ZINC000437575757 201357542 /nfs/dbraw/zinc/35/75/42/201357542.db2.gz BBAUYVMXWSTMHD-UHFFFAOYSA-N 0 3 220.291 3.149 20 0 BGADHN CCN(Cc1c[nH]nc1-c1ccsc1)C1CC1 ZINC000437577076 201355775 /nfs/dbraw/zinc/35/57/75/201355775.db2.gz DCQYOZZVGALCMS-UHFFFAOYSA-N 0 3 247.367 3.123 20 0 BGADHN CCN(Cc1cc2c(cccc2F)[nH]1)C1CC1 ZINC000437579341 201356532 /nfs/dbraw/zinc/35/65/32/201356532.db2.gz IBOQYDMFAHRERL-UHFFFAOYSA-N 0 3 232.302 3.291 20 0 BGADHN CCN(CC)Cc1cc2c(cccc2F)[nH]1 ZINC000437584688 201359958 /nfs/dbraw/zinc/35/99/58/201359958.db2.gz XXALWMPUBBVWFV-UHFFFAOYSA-N 0 3 220.291 3.149 20 0 BGADHN CCCC[C@H](CC)CCN1CCN(CC)CC1 ZINC000437587703 537926848 /nfs/dbraw/zinc/92/68/48/537926848.db2.gz GQOIGVRUNVHXGJ-HNNXBMFYSA-N 0 3 240.435 3.230 20 0 BGADHN CCCC[C@@H](CC)CCN1CCN(CC)CC1 ZINC000437587704 537926643 /nfs/dbraw/zinc/92/66/43/537926643.db2.gz GQOIGVRUNVHXGJ-OAHLLOKOSA-N 0 3 240.435 3.230 20 0 BGADHN CC(C)N(C)Cc1cc2c(cccc2F)[nH]1 ZINC000437590181 201360627 /nfs/dbraw/zinc/36/06/27/201360627.db2.gz MSIRIBUJRSWFMS-UHFFFAOYSA-N 0 3 220.291 3.147 20 0 BGADHN COc1ccc(CN2CCC[C@@H]2C(C)(C)C)cn1 ZINC000437598289 201363238 /nfs/dbraw/zinc/36/32/38/201363238.db2.gz AJKMTMYGEBGZOJ-CYBMUJFWSA-N 0 3 248.370 3.101 20 0 BGADHN COc1ccc(CN2CCC[C@H]2C(C)(C)C)cn1 ZINC000437598290 201363005 /nfs/dbraw/zinc/36/30/05/201363005.db2.gz AJKMTMYGEBGZOJ-ZDUSSCGKSA-N 0 3 248.370 3.101 20 0 BGADHN C[C@H](c1ccco1)N(CC[C@@H]1CCOC1)C1CC1 ZINC000437684982 201368456 /nfs/dbraw/zinc/36/84/56/201368456.db2.gz DTAJWFRELMHRHJ-CHWSQXEVSA-N 0 3 249.354 3.232 20 0 BGADHN C[C@H](c1ccco1)N(CC[C@H]1CCOC1)C1CC1 ZINC000437684983 201368053 /nfs/dbraw/zinc/36/80/53/201368053.db2.gz DTAJWFRELMHRHJ-OLZOCXBDSA-N 0 3 249.354 3.232 20 0 BGADHN C[C@@H](c1ccco1)N(CC[C@@H]1CCOC1)C1CC1 ZINC000437684984 201368606 /nfs/dbraw/zinc/36/86/06/201368606.db2.gz DTAJWFRELMHRHJ-QWHCGFSZSA-N 0 3 249.354 3.232 20 0 BGADHN C[C@@H](c1ccco1)N(CC[C@H]1CCOC1)C1CC1 ZINC000437684985 201366273 /nfs/dbraw/zinc/36/62/73/201366273.db2.gz DTAJWFRELMHRHJ-STQMWFEESA-N 0 3 249.354 3.232 20 0 BGADHN C[C@H]1CCN(Cc2cc3c(cccc3F)[nH]2)C1 ZINC000437688388 201367355 /nfs/dbraw/zinc/36/73/55/201367355.db2.gz QRDJMPHIYVYQSM-JTQLQIEISA-N 0 3 232.302 3.149 20 0 BGADHN C[C@@H]1CCN(Cc2cc3c(cccc3F)[nH]2)C1 ZINC000437688392 206070006 /nfs/dbraw/zinc/07/00/06/206070006.db2.gz QRDJMPHIYVYQSM-SNVBAGLBSA-N 0 3 232.302 3.149 20 0 BGADHN CCC1(C)CCN(Cc2ccc(OC)nc2)CC1 ZINC000437749143 206070713 /nfs/dbraw/zinc/07/07/13/206070713.db2.gz RGXQSAJACNEEOC-UHFFFAOYSA-N 0 3 248.370 3.102 20 0 BGADHN Cc1cccc2[nH]c(CNCCC(C)(C)C)nc21 ZINC000437758845 201372896 /nfs/dbraw/zinc/37/28/96/201372896.db2.gz NCYUTZMNUQROJI-UHFFFAOYSA-N 0 3 245.370 3.397 20 0 BGADHN CCSCCNCc1nccc2ccccc21 ZINC000437763616 201372040 /nfs/dbraw/zinc/37/20/40/201372040.db2.gz LKBWWZYNSWPMHX-UHFFFAOYSA-N 0 3 246.379 3.078 20 0 BGADHN CC(C)c1nnc([C@H](C)NCCC(C)(C)C)[nH]1 ZINC000437798536 201374799 /nfs/dbraw/zinc/37/47/99/201374799.db2.gz UXEFAIYUHOIWRO-JTQLQIEISA-N 0 3 238.379 3.015 20 0 BGADHN CC(C)c1nnc([C@H](C)[NH2+]CCC(C)(C)C)[n-]1 ZINC000437798536 201374795 /nfs/dbraw/zinc/37/47/95/201374795.db2.gz UXEFAIYUHOIWRO-JTQLQIEISA-N 0 3 238.379 3.015 20 0 BGADHN CC(C)c1nnc([C@@H](C)NCCC(C)(C)C)[nH]1 ZINC000437798538 201374683 /nfs/dbraw/zinc/37/46/83/201374683.db2.gz UXEFAIYUHOIWRO-SNVBAGLBSA-N 0 3 238.379 3.015 20 0 BGADHN CC(C)c1nnc([C@@H](C)[NH2+]CCC(C)(C)C)[n-]1 ZINC000437798538 201374681 /nfs/dbraw/zinc/37/46/81/201374681.db2.gz UXEFAIYUHOIWRO-SNVBAGLBSA-N 0 3 238.379 3.015 20 0 BGADHN Cc1ccc2cc(CNC(C)(C)CF)ccc2n1 ZINC000437957299 201381268 /nfs/dbraw/zinc/38/12/68/201381268.db2.gz CMURHJZKVCPHSH-UHFFFAOYSA-N 0 3 246.329 3.381 20 0 BGADHN C[C@@H](NC[C@@H](C)c1ccc(F)cc1)c1ccon1 ZINC000437980405 201381936 /nfs/dbraw/zinc/38/19/36/201381936.db2.gz UIVRYEMVQCHNEX-GHMZBOCLSA-N 0 3 248.301 3.268 20 0 BGADHN C[C@H](CN[C@@H](C)c1ccon1)c1ccc(F)cc1 ZINC000437980406 201381583 /nfs/dbraw/zinc/38/15/83/201381583.db2.gz UIVRYEMVQCHNEX-MNOVXSKESA-N 0 3 248.301 3.268 20 0 BGADHN C[C@@H](CN[C@@H](C)c1ccon1)c1ccc(F)cc1 ZINC000437980407 201380223 /nfs/dbraw/zinc/38/02/23/201380223.db2.gz UIVRYEMVQCHNEX-QWRGUYRKSA-N 0 3 248.301 3.268 20 0 BGADHN C[C@@H](CN[C@H](C)c1ccon1)c1ccc(F)cc1 ZINC000437980408 201379868 /nfs/dbraw/zinc/37/98/68/201379868.db2.gz UIVRYEMVQCHNEX-WDEREUQCSA-N 0 3 248.301 3.268 20 0 BGADHN C[C@H]1CCC[C@H](CN(C)Cc2ccccn2)C1 ZINC000437981836 201380595 /nfs/dbraw/zinc/38/05/95/201380595.db2.gz CQJYIWSZOZJRTP-KBPBESRZSA-N 0 3 232.371 3.340 20 0 BGADHN C[C@@H]1CCC[C@H](CN(C)Cc2ccccn2)C1 ZINC000437981838 201381814 /nfs/dbraw/zinc/38/18/14/201381814.db2.gz CQJYIWSZOZJRTP-KGLIPLIRSA-N 0 3 232.371 3.340 20 0 BGADHN C[C@H]1CCC[C@@H](CN(C)Cc2ccccn2)C1 ZINC000437981839 201381318 /nfs/dbraw/zinc/38/13/18/201381318.db2.gz CQJYIWSZOZJRTP-UONOGXRCSA-N 0 3 232.371 3.340 20 0 BGADHN C[C@@H]1CCC[C@@H](CN(C)Cc2ccccn2)C1 ZINC000437981841 201382015 /nfs/dbraw/zinc/38/20/15/201382015.db2.gz CQJYIWSZOZJRTP-ZIAGYGMSSA-N 0 3 232.371 3.340 20 0 BGADHN Cc1occc1CN[C@H](C)Cc1ccccc1F ZINC000438091101 201387612 /nfs/dbraw/zinc/38/76/12/201387612.db2.gz DRMHAPBTOIIUCV-LLVKDONJSA-N 0 3 247.313 3.448 20 0 BGADHN Cc1occc1CN[C@@H](C)Cc1ccccc1F ZINC000438091103 201388568 /nfs/dbraw/zinc/38/85/68/201388568.db2.gz DRMHAPBTOIIUCV-NSHDSACASA-N 0 3 247.313 3.448 20 0 BGADHN CN(Cc1cc2c(cccc2F)[nH]1)C1CCC1 ZINC000438091680 201388876 /nfs/dbraw/zinc/38/88/76/201388876.db2.gz CLQHKGVLRGNJHW-UHFFFAOYSA-N 0 3 232.302 3.291 20 0 BGADHN COc1ccc(CN2CCCC(C)(C)CC2)cn1 ZINC000438099216 201387411 /nfs/dbraw/zinc/38/74/11/201387411.db2.gz YDLJZCWSWVNZCG-UHFFFAOYSA-N 0 3 248.370 3.102 20 0 BGADHN CCCC[C@H](CC)CCN1CCN(C)C[C@H]1C ZINC000438105328 537937203 /nfs/dbraw/zinc/93/72/03/537937203.db2.gz PHVOCASPGIWNBV-CABCVRRESA-N 0 3 240.435 3.229 20 0 BGADHN CCCC[C@H](CC)CCN1CCN(C)C[C@@H]1C ZINC000438105329 537937507 /nfs/dbraw/zinc/93/75/07/537937507.db2.gz PHVOCASPGIWNBV-GJZGRUSLSA-N 0 3 240.435 3.229 20 0 BGADHN CCCC[C@@H](CC)CCN1CCN(C)C[C@H]1C ZINC000438105330 537937067 /nfs/dbraw/zinc/93/70/67/537937067.db2.gz PHVOCASPGIWNBV-HUUCEWRRSA-N 0 3 240.435 3.229 20 0 BGADHN CCCC[C@@H](CC)CCN1CCN(C)C[C@@H]1C ZINC000438105331 537936543 /nfs/dbraw/zinc/93/65/43/537936543.db2.gz PHVOCASPGIWNBV-LSDHHAIUSA-N 0 3 240.435 3.229 20 0 BGADHN C[C@@H]1CN(Cc2cc3c(cccc3F)[nH]2)C[C@H]1C ZINC000438108505 201390282 /nfs/dbraw/zinc/39/02/82/201390282.db2.gz XZZBXODPPHGREA-GHMZBOCLSA-N 0 3 246.329 3.395 20 0 BGADHN C[C@H]1CN(Cc2cc3c(cccc3F)[nH]2)C[C@H]1C ZINC000438108506 201390437 /nfs/dbraw/zinc/39/04/37/201390437.db2.gz XZZBXODPPHGREA-PHIMTYICSA-N 0 3 246.329 3.395 20 0 BGADHN C[C@H]1CN(Cc2cc3c(cccc3F)[nH]2)C[C@@H]1C ZINC000438108507 201390904 /nfs/dbraw/zinc/39/09/04/201390904.db2.gz XZZBXODPPHGREA-QWRGUYRKSA-N 0 3 246.329 3.395 20 0 BGADHN C[C@H](CN(C)Cc1ccc[nH]1)c1ccc(F)cc1 ZINC000438110686 201391212 /nfs/dbraw/zinc/39/12/12/201391212.db2.gz QXJXEIORWDHJEM-GFCCVEGCSA-N 0 3 246.329 3.389 20 0 BGADHN C[C@@H](CN(C)Cc1ccc[nH]1)c1ccc(F)cc1 ZINC000438110687 201390050 /nfs/dbraw/zinc/39/00/50/201390050.db2.gz QXJXEIORWDHJEM-LBPRGKRZSA-N 0 3 246.329 3.389 20 0 BGADHN CC[C@@]1(C)CCCN(Cc2ccc(OC)nc2)C1 ZINC000438112116 201393569 /nfs/dbraw/zinc/39/35/69/201393569.db2.gz DNLRKTWIVCXKGZ-HNNXBMFYSA-N 0 3 248.370 3.102 20 0 BGADHN CC[C@]1(C)CCCN(Cc2ccc(OC)nc2)C1 ZINC000438112117 201392049 /nfs/dbraw/zinc/39/20/49/201392049.db2.gz DNLRKTWIVCXKGZ-OAHLLOKOSA-N 0 3 248.370 3.102 20 0 BGADHN C[C@H](CN1CC[C@@](C)(F)C1)c1ccc(F)cc1 ZINC000438114824 201393052 /nfs/dbraw/zinc/39/30/52/201393052.db2.gz PGWKDOPMQBZUNI-BXUZGUMPSA-N 0 3 239.309 3.363 20 0 BGADHN C[C@@H](CN1CC[C@](C)(F)C1)c1ccc(F)cc1 ZINC000438114826 201393320 /nfs/dbraw/zinc/39/33/20/201393320.db2.gz PGWKDOPMQBZUNI-FZMZJTMJSA-N 0 3 239.309 3.363 20 0 BGADHN C[C@H](CN1CC[C@](C)(F)C1)c1ccc(F)cc1 ZINC000438114829 201393219 /nfs/dbraw/zinc/39/32/19/201393219.db2.gz PGWKDOPMQBZUNI-RISCZKNCSA-N 0 3 239.309 3.363 20 0 BGADHN C[C@@H](CN1CC[C@@](C)(F)C1)c1ccc(F)cc1 ZINC000438114832 201393178 /nfs/dbraw/zinc/39/31/78/201393178.db2.gz PGWKDOPMQBZUNI-SMDDNHRTSA-N 0 3 239.309 3.363 20 0 BGADHN CCC1(CC)CCN(Cc2ccc(OC)nc2)C1 ZINC000438122356 201395064 /nfs/dbraw/zinc/39/50/64/201395064.db2.gz OWKPLUDOHUCNTD-UHFFFAOYSA-N 0 3 248.370 3.102 20 0 BGADHN CC[C@@H]1CCCN(Cc2ccc(OC)nc2)CC1 ZINC000438125612 386486754 /nfs/dbraw/zinc/48/67/54/386486754.db2.gz WSZABOHENIOFJS-CYBMUJFWSA-N 0 3 248.370 3.102 20 0 BGADHN CC[C@H]1CCCN(Cc2ccc(OC)nc2)CC1 ZINC000438125624 386486378 /nfs/dbraw/zinc/48/63/78/386486378.db2.gz WSZABOHENIOFJS-ZDUSSCGKSA-N 0 3 248.370 3.102 20 0 BGADHN C[C@H]1CCCN1Cc1cc2c(cccc2F)[nH]1 ZINC000438126960 201395459 /nfs/dbraw/zinc/39/54/59/201395459.db2.gz ZMMFFEPTOSPZHW-JTQLQIEISA-N 0 3 232.302 3.291 20 0 BGADHN C[C@@H]1CCCN1Cc1cc2c(cccc2F)[nH]1 ZINC000438126961 201394700 /nfs/dbraw/zinc/39/47/00/201394700.db2.gz ZMMFFEPTOSPZHW-SNVBAGLBSA-N 0 3 232.302 3.291 20 0 BGADHN Cc1ccc2nc(CNCCC(C)(C)C)[nH]c2c1 ZINC000438181406 201397168 /nfs/dbraw/zinc/39/71/68/201397168.db2.gz RZYXBSHECLETFJ-UHFFFAOYSA-N 0 3 245.370 3.397 20 0 BGADHN Cc1ccc2[nH]c(CNCCC(C)(C)C)nc2c1 ZINC000438181406 201397166 /nfs/dbraw/zinc/39/71/66/201397166.db2.gz RZYXBSHECLETFJ-UHFFFAOYSA-N 0 3 245.370 3.397 20 0 BGADHN Cc1ccn2cc(CNCCC(C)(C)C)nc2c1 ZINC000438217202 201397792 /nfs/dbraw/zinc/39/77/92/201397792.db2.gz VMSNNIOQLVWEBK-UHFFFAOYSA-N 0 3 245.370 3.169 20 0 BGADHN CCSCCN(C)CC1(c2ccccc2)CC1 ZINC000438268352 387921033 /nfs/dbraw/zinc/92/10/33/387921033.db2.gz DBUJTYIPRSZGMF-UHFFFAOYSA-N 0 3 249.423 3.403 20 0 BGADHN Cc1csc(CN2CCC[C@@H](C(C)C)C2)n1 ZINC000438319828 387923072 /nfs/dbraw/zinc/92/30/72/387923072.db2.gz AWZRWJYXZWDMCN-GFCCVEGCSA-N 0 3 238.400 3.320 20 0 BGADHN Cc1csc(CN2CCC[C@H](C(C)C)C2)n1 ZINC000438319829 387923264 /nfs/dbraw/zinc/92/32/64/387923264.db2.gz AWZRWJYXZWDMCN-LBPRGKRZSA-N 0 3 238.400 3.320 20 0 BGADHN Cc1ccc(CN2CCC[C@H](C(C)C)C2)nc1 ZINC000438323163 387921064 /nfs/dbraw/zinc/92/10/64/387921064.db2.gz INYXFZIDNVYOCH-AWEZNQCLSA-N 0 3 232.371 3.258 20 0 BGADHN Cc1ccc(CN2CCC[C@@H](C(C)C)C2)nc1 ZINC000438323164 387920778 /nfs/dbraw/zinc/92/07/78/387920778.db2.gz INYXFZIDNVYOCH-CQSZACIVSA-N 0 3 232.371 3.258 20 0 BGADHN CC(C)[C@H]1CCCN(Cc2cnn(C(C)C)c2)C1 ZINC000438331857 387923053 /nfs/dbraw/zinc/92/30/53/387923053.db2.gz YZHKWXPXBBNONI-HNNXBMFYSA-N 0 3 249.402 3.332 20 0 BGADHN CC(C)[C@@H]1CCCN(Cc2cnn(C(C)C)c2)C1 ZINC000438331858 387922461 /nfs/dbraw/zinc/92/24/61/387922461.db2.gz YZHKWXPXBBNONI-OAHLLOKOSA-N 0 3 249.402 3.332 20 0 BGADHN CCCn1cc(CN2CCC[C@H](C(C)C)C2)cn1 ZINC000438339027 387926763 /nfs/dbraw/zinc/92/67/63/387926763.db2.gz GBELSPOVHJBNLE-HNNXBMFYSA-N 0 3 249.402 3.161 20 0 BGADHN CCCn1cc(CN2CCC[C@@H](C(C)C)C2)cn1 ZINC000438339028 387925880 /nfs/dbraw/zinc/92/58/80/387925880.db2.gz GBELSPOVHJBNLE-OAHLLOKOSA-N 0 3 249.402 3.161 20 0 BGADHN Cc1ccc(CN2CCC[C@H](C(C)C)C2)cn1 ZINC000438344792 387926194 /nfs/dbraw/zinc/92/61/94/387926194.db2.gz BNPBMGBRWDVLEF-HNNXBMFYSA-N 0 3 232.371 3.258 20 0 BGADHN Cc1ccc(CN2CCC[C@@H](C(C)C)C2)cn1 ZINC000438344793 387924835 /nfs/dbraw/zinc/92/48/35/387924835.db2.gz BNPBMGBRWDVLEF-OAHLLOKOSA-N 0 3 232.371 3.258 20 0 BGADHN Cc1ccc([O-])c(C[N@H+]2CCCCC(C)(C)C2)n1 ZINC000438345673 387926354 /nfs/dbraw/zinc/92/63/54/387926354.db2.gz ADMUITPUVHQRRC-UHFFFAOYSA-N 0 3 248.370 3.108 20 0 BGADHN Cc1ccc([O-])c(C[N@@H+]2CCCCC(C)(C)C2)n1 ZINC000438345673 387926349 /nfs/dbraw/zinc/92/63/49/387926349.db2.gz ADMUITPUVHQRRC-UHFFFAOYSA-N 0 3 248.370 3.108 20 0 BGADHN Cc1ccc(C)c(CN2C[C@H](C)O[C@@H](C)[C@@H]2C)c1 ZINC000438346266 387925858 /nfs/dbraw/zinc/92/58/58/387925858.db2.gz OVAIOXWIHLYIAG-KKUMJFAQSA-N 0 3 247.382 3.301 20 0 BGADHN Cc1ccc(C)c(CN2C[C@H](C)O[C@H](C)[C@H]2C)c1 ZINC000438346267 201404633 /nfs/dbraw/zinc/40/46/33/201404633.db2.gz OVAIOXWIHLYIAG-RRFJBIMHSA-N 0 3 247.382 3.301 20 0 BGADHN Cc1ccc(C)c(CN2C[C@H](C)O[C@H](C)[C@@H]2C)c1 ZINC000438346268 387924800 /nfs/dbraw/zinc/92/48/00/387924800.db2.gz OVAIOXWIHLYIAG-SOUVJXGZSA-N 0 3 247.382 3.301 20 0 BGADHN Cc1ccc(C)c(CN2C[C@H](C)O[C@@H](C)[C@H]2C)c1 ZINC000438346269 387926547 /nfs/dbraw/zinc/92/65/47/387926547.db2.gz OVAIOXWIHLYIAG-ZNMIVQPWSA-N 0 3 247.382 3.301 20 0 BGADHN c1cc(CN2CCCC3(CCCC3)C2)ccn1 ZINC000438346294 387926404 /nfs/dbraw/zinc/92/64/04/387926404.db2.gz PBHJSIJGOIZOBS-UHFFFAOYSA-N 0 3 230.355 3.238 20 0 BGADHN CCn1cc(CN2CCCC3(CCCC3)C2)cn1 ZINC000438347593 387926780 /nfs/dbraw/zinc/92/67/80/387926780.db2.gz HETDKLPYHDXDHK-UHFFFAOYSA-N 0 3 247.386 3.059 20 0 BGADHN Cc1ccc(CN2CCCCC(C)(C)C2)cn1 ZINC000438348109 387925364 /nfs/dbraw/zinc/92/53/64/387925364.db2.gz JIANBZGAXITYSK-UHFFFAOYSA-N 0 3 232.371 3.402 20 0 BGADHN Cc1ncc(CN2CCC[C@@H](C(C)C)C2)s1 ZINC000438348195 387925267 /nfs/dbraw/zinc/92/52/67/387925267.db2.gz WYWXVAHPKUNTTK-GFCCVEGCSA-N 0 3 238.400 3.320 20 0 BGADHN Cc1ncc(CN2CCC[C@H](C(C)C)C2)s1 ZINC000438348197 387926929 /nfs/dbraw/zinc/92/69/29/387926929.db2.gz WYWXVAHPKUNTTK-LBPRGKRZSA-N 0 3 238.400 3.320 20 0 BGADHN c1cncc(CN2CCCC3(CCCC3)C2)c1 ZINC000438348700 387925406 /nfs/dbraw/zinc/92/54/06/387925406.db2.gz YKMSNVMBSZKNGF-UHFFFAOYSA-N 0 3 230.355 3.238 20 0 BGADHN CCn1nccc1CN1CCCC2(CCCC2)C1 ZINC000438351087 387926384 /nfs/dbraw/zinc/92/63/84/387926384.db2.gz CMDZGRANOMTFEB-UHFFFAOYSA-N 0 3 247.386 3.059 20 0 BGADHN Cc1ncc(CN2CCCCC(C)(C)C2)s1 ZINC000438351302 387924999 /nfs/dbraw/zinc/92/49/99/387924999.db2.gz GKWAMWMNQVKJTH-UHFFFAOYSA-N 0 3 238.400 3.464 20 0 BGADHN c1ccc(CN2CCCC3(CCCC3)C2)nc1 ZINC000438353374 387927925 /nfs/dbraw/zinc/92/79/25/387927925.db2.gz NKCJFOMVKQJSEH-UHFFFAOYSA-N 0 3 230.355 3.238 20 0 BGADHN Cc1ccc(CN2CCCCC(C)(C)C2)nc1 ZINC000438353759 387928415 /nfs/dbraw/zinc/92/84/15/387928415.db2.gz DXPWLTSLVFVSPK-UHFFFAOYSA-N 0 3 232.371 3.402 20 0 BGADHN CC1(C)CCCC[N@@H+](Cc2cccc([O-])c2)C1 ZINC000438353861 386649587 /nfs/dbraw/zinc/64/95/87/386649587.db2.gz BXRFZBKUGNHQFM-UHFFFAOYSA-N 0 3 233.355 3.404 20 0 BGADHN CC1(C)CCCC[N@H+](Cc2cccc([O-])c2)C1 ZINC000438353861 386649575 /nfs/dbraw/zinc/64/95/75/386649575.db2.gz BXRFZBKUGNHQFM-UHFFFAOYSA-N 0 3 233.355 3.404 20 0 BGADHN CC(C)n1cc(CN2CCCCC(C)(C)C2)cn1 ZINC000438356629 387929158 /nfs/dbraw/zinc/92/91/58/387929158.db2.gz VGVAQXAZMXOWKS-UHFFFAOYSA-N 0 3 249.402 3.476 20 0 BGADHN COc1ccc(CN2CCCCC(C)(C)C2)cn1 ZINC000438358418 387928707 /nfs/dbraw/zinc/92/87/07/387928707.db2.gz PLRXIDKDUJBVHM-UHFFFAOYSA-N 0 3 248.370 3.102 20 0 BGADHN CC(C)C(C)(C)CNCc1ccn(C(F)F)n1 ZINC000438359307 387927757 /nfs/dbraw/zinc/92/77/57/387927757.db2.gz PZZWNHHFRVCBTF-UHFFFAOYSA-N 0 3 245.317 3.050 20 0 BGADHN c1coc(CN2CCCC3(CCCC3)C2)c1 ZINC000438361778 387928638 /nfs/dbraw/zinc/92/86/38/387928638.db2.gz XLFZWCPXOMABPP-UHFFFAOYSA-N 0 3 219.328 3.436 20 0 BGADHN Cc1cc(C)cc(CN2C[C@H](C)O[C@@H](C)[C@@H]2C)c1 ZINC000438364866 387929584 /nfs/dbraw/zinc/92/95/84/387929584.db2.gz KYKBOBXZXLNYLH-KKUMJFAQSA-N 0 3 247.382 3.301 20 0 BGADHN Cc1cc(C)cc(CN2C[C@H](C)O[C@H](C)[C@H]2C)c1 ZINC000438364867 387929395 /nfs/dbraw/zinc/92/93/95/387929395.db2.gz KYKBOBXZXLNYLH-RRFJBIMHSA-N 0 3 247.382 3.301 20 0 BGADHN Cc1cc(C)cc(CN2C[C@H](C)O[C@H](C)[C@@H]2C)c1 ZINC000438364869 387928182 /nfs/dbraw/zinc/92/81/82/387928182.db2.gz KYKBOBXZXLNYLH-SOUVJXGZSA-N 0 3 247.382 3.301 20 0 BGADHN Cc1cc(C)cc(CN2C[C@H](C)O[C@@H](C)[C@H]2C)c1 ZINC000438364871 387928942 /nfs/dbraw/zinc/92/89/42/387928942.db2.gz KYKBOBXZXLNYLH-ZNMIVQPWSA-N 0 3 247.382 3.301 20 0 BGADHN Cc1csc(CN2CCCCC(C)(C)C2)n1 ZINC000438366512 387928472 /nfs/dbraw/zinc/92/84/72/387928472.db2.gz QOPPKFLRDNTSJT-UHFFFAOYSA-N 0 3 238.400 3.464 20 0 BGADHN Cc1ccc(CN2C[C@H](C)O[C@@H](C)[C@@H]2C)c(C)c1 ZINC000438366660 387929355 /nfs/dbraw/zinc/92/93/55/387929355.db2.gz XHKWCGLSCXLLFY-KKUMJFAQSA-N 0 3 247.382 3.301 20 0 BGADHN Cc1ccc(CN2C[C@H](C)O[C@H](C)[C@H]2C)c(C)c1 ZINC000438366661 387928368 /nfs/dbraw/zinc/92/83/68/387928368.db2.gz XHKWCGLSCXLLFY-RRFJBIMHSA-N 0 3 247.382 3.301 20 0 BGADHN Cc1ccc(CN2C[C@H](C)O[C@H](C)[C@@H]2C)c(C)c1 ZINC000438366662 387929224 /nfs/dbraw/zinc/92/92/24/387929224.db2.gz XHKWCGLSCXLLFY-SOUVJXGZSA-N 0 3 247.382 3.301 20 0 BGADHN Cc1ccc(CN2C[C@H](C)O[C@@H](C)[C@H]2C)c(C)c1 ZINC000438366663 387929598 /nfs/dbraw/zinc/92/95/98/387929598.db2.gz XHKWCGLSCXLLFY-ZNMIVQPWSA-N 0 3 247.382 3.301 20 0 BGADHN CC1(C)CCCCN(Cc2cncs2)C1 ZINC000438368753 387930331 /nfs/dbraw/zinc/93/03/31/387930331.db2.gz VCFLRXPEFOUFFB-UHFFFAOYSA-N 0 3 224.373 3.155 20 0 BGADHN CCCn1cc(CN2CCCCC(C)(C)C2)cn1 ZINC000438376543 387930995 /nfs/dbraw/zinc/93/09/95/387930995.db2.gz UVUVKVPIZZZCLF-UHFFFAOYSA-N 0 3 249.402 3.305 20 0 BGADHN Cc1cccc(CN2C[C@H](C)O[C@H](C)[C@@H]2C)c1C ZINC000438380504 387931356 /nfs/dbraw/zinc/93/13/56/387931356.db2.gz YUINWMPSGHMBNI-AEGPPILISA-N 0 3 247.382 3.301 20 0 BGADHN Cc1cccc(CN2C[C@H](C)O[C@@H](C)[C@H]2C)c1C ZINC000438380506 387931825 /nfs/dbraw/zinc/93/18/25/387931825.db2.gz YUINWMPSGHMBNI-CFVMTHIKSA-N 0 3 247.382 3.301 20 0 BGADHN Cc1cccc(CN2C[C@H](C)O[C@H](C)[C@H]2C)c1C ZINC000438380508 387931161 /nfs/dbraw/zinc/93/11/61/387931161.db2.gz YUINWMPSGHMBNI-NWANDNLSSA-N 0 3 247.382 3.301 20 0 BGADHN Cc1cccc(CN2C[C@H](C)O[C@@H](C)[C@@H]2C)c1C ZINC000438380509 386684173 /nfs/dbraw/zinc/68/41/73/386684173.db2.gz YUINWMPSGHMBNI-QEJZJMRPSA-N 0 3 247.382 3.301 20 0 BGADHN CC(C)(C)CN[C@@H]1CCOc2c(F)cccc21 ZINC000438460291 387937781 /nfs/dbraw/zinc/93/77/81/387937781.db2.gz ATVZUZAKWGWFAQ-GFCCVEGCSA-N 0 3 237.318 3.285 20 0 BGADHN CC(C)[C@@H](CC(F)(F)F)NCc1cccn1C ZINC000438465976 387937522 /nfs/dbraw/zinc/93/75/22/387937522.db2.gz CXTCCYQKZPRJPK-LLVKDONJSA-N 0 3 248.292 3.092 20 0 BGADHN CC(C)[C@H](CC(F)(F)F)NCc1cccn1C ZINC000438465979 387937890 /nfs/dbraw/zinc/93/78/90/387937890.db2.gz CXTCCYQKZPRJPK-NSHDSACASA-N 0 3 248.292 3.092 20 0 BGADHN CC(C)[C@@H](CC(F)(F)F)NCc1ccn(C)c1 ZINC000438468884 387937279 /nfs/dbraw/zinc/93/72/79/387937279.db2.gz YZBKQGYWERZUSY-LLVKDONJSA-N 0 3 248.292 3.092 20 0 BGADHN CC(C)[C@H](CC(F)(F)F)NCc1ccn(C)c1 ZINC000438468885 387935206 /nfs/dbraw/zinc/93/52/06/387935206.db2.gz YZBKQGYWERZUSY-NSHDSACASA-N 0 3 248.292 3.092 20 0 BGADHN CC(C)[C@@H](CC(F)(F)F)NCc1cccnc1 ZINC000438470406 201411876 /nfs/dbraw/zinc/41/18/76/201411876.db2.gz ZTHGGPUTXQTLAY-LLVKDONJSA-N 0 3 246.276 3.148 20 0 BGADHN CC(C)[C@H](CC(F)(F)F)NCc1cccnc1 ZINC000438470407 387936893 /nfs/dbraw/zinc/93/68/93/387936893.db2.gz ZTHGGPUTXQTLAY-NSHDSACASA-N 0 3 246.276 3.148 20 0 BGADHN CC(C)[C@@H](CC(F)(F)F)NCc1ccncc1 ZINC000438476560 387937771 /nfs/dbraw/zinc/93/77/71/387937771.db2.gz PQZUYMPMOKXLCY-LLVKDONJSA-N 0 3 246.276 3.148 20 0 BGADHN CC(C)[C@H](CC(F)(F)F)NCc1ccncc1 ZINC000438476561 387936797 /nfs/dbraw/zinc/93/67/97/387936797.db2.gz PQZUYMPMOKXLCY-NSHDSACASA-N 0 3 246.276 3.148 20 0 BGADHN CC(C)[C@@H](CC(F)(F)F)NCc1ccccn1 ZINC000438477530 387936902 /nfs/dbraw/zinc/93/69/02/387936902.db2.gz LYBGAEDWUSJXPQ-LLVKDONJSA-N 0 3 246.276 3.148 20 0 BGADHN CC(C)[C@H](CC(F)(F)F)NCc1ccccn1 ZINC000438477531 387937841 /nfs/dbraw/zinc/93/78/41/387937841.db2.gz LYBGAEDWUSJXPQ-NSHDSACASA-N 0 3 246.276 3.148 20 0 BGADHN CCCCOCCNC1(c2ccccc2)CCC1 ZINC000438726697 387953845 /nfs/dbraw/zinc/95/38/45/387953845.db2.gz VGDSFQIQHYRVAY-UHFFFAOYSA-N 0 3 247.382 3.472 20 0 BGADHN CC1CN(Cc2ccc(C(C)(C)C)s2)C1 ZINC000438846912 387958285 /nfs/dbraw/zinc/95/82/85/387958285.db2.gz BFIQIDRNXSHVMF-UHFFFAOYSA-N 0 3 223.385 3.497 20 0 BGADHN CCCCOc1ccc(CN2CC(C)C2)cc1 ZINC000438849405 387957872 /nfs/dbraw/zinc/95/78/72/387957872.db2.gz DUAGWYWLILKWBN-UHFFFAOYSA-N 0 3 233.355 3.317 20 0 BGADHN CC1CN(Cc2cccc(OC(F)(F)F)c2)C1 ZINC000438850274 387957936 /nfs/dbraw/zinc/95/79/36/387957936.db2.gz HCTITMLMIHPUKS-UHFFFAOYSA-N 0 3 245.244 3.037 20 0 BGADHN C/C(=C/c1ccccc1)CN1CC(C)C1 ZINC000438855644 387960767 /nfs/dbraw/zinc/96/07/67/387960767.db2.gz JUYMFIWRUGUTIS-WQLSENKSSA-N 0 3 201.313 3.042 20 0 BGADHN C/C(=C\c1ccccc1)CN1CC(C)C1 ZINC000438855656 387960095 /nfs/dbraw/zinc/96/00/95/387960095.db2.gz JUYMFIWRUGUTIS-XYOKQWHBSA-N 0 3 201.313 3.042 20 0 BGADHN CC1CN(Cc2ccc(-c3ccccc3)o2)C1 ZINC000438858553 201421569 /nfs/dbraw/zinc/42/15/69/201421569.db2.gz PCJZAVJUIFYPOK-UHFFFAOYSA-N 0 3 227.307 3.398 20 0 BGADHN COc1ccc2cc(CN3CC(C)C3)ccc2c1 ZINC000438859154 387960987 /nfs/dbraw/zinc/96/09/87/387960987.db2.gz QCCIQFBKBNSFPY-UHFFFAOYSA-N 0 3 241.334 3.300 20 0 BGADHN CC1CN(Cc2cccc(OC3CCCC3)c2)C1 ZINC000438862806 387960607 /nfs/dbraw/zinc/96/06/07/387960607.db2.gz XMYUESCLRFEMAB-UHFFFAOYSA-N 0 3 245.366 3.460 20 0 BGADHN COc1ccc2ccccc2c1CN1CC(C)C1 ZINC000438862859 387960911 /nfs/dbraw/zinc/96/09/11/387960911.db2.gz XQDZOOVZWHPRBV-UHFFFAOYSA-N 0 3 241.334 3.300 20 0 BGADHN CCc1cccc(CN2CCCO[C@@H](CC)C2)c1 ZINC000439486540 388003972 /nfs/dbraw/zinc/00/39/72/388003972.db2.gz OPKYINAMUROKSG-INIZCTEOSA-N 0 3 247.382 3.250 20 0 BGADHN CCc1cccc(CN2CCCO[C@H](CC)C2)c1 ZINC000439486541 388004308 /nfs/dbraw/zinc/00/43/08/388004308.db2.gz OPKYINAMUROKSG-MRXNPFEDSA-N 0 3 247.382 3.250 20 0 BGADHN CCCCOCCN1CC[C@H]1Cc1ccccc1 ZINC000439541936 388010324 /nfs/dbraw/zinc/01/03/24/388010324.db2.gz NGZVNCSJQHCMAZ-INIZCTEOSA-N 0 3 247.382 3.120 20 0 BGADHN CCCCOCCN1CC[C@@H]1Cc1ccccc1 ZINC000439541937 388009023 /nfs/dbraw/zinc/00/90/23/388009023.db2.gz NGZVNCSJQHCMAZ-MRXNPFEDSA-N 0 3 247.382 3.120 20 0 BGADHN c1ccc2c(c1)[nH]c1c2CN(CC2CCC2)CC1 ZINC000440027581 388029472 /nfs/dbraw/zinc/02/94/72/388029472.db2.gz LLNMONSQGOZHJZ-UHFFFAOYSA-N 0 3 240.350 3.326 20 0 BGADHN Cc1ccccc1CCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000440321953 388038677 /nfs/dbraw/zinc/03/86/77/388038677.db2.gz CNUGEVLZRHYSQQ-GASCZTMLSA-N 0 3 247.382 3.037 20 0 BGADHN Cc1ccccc1CCCN1CCOC(C)(C)C1 ZINC000440324078 388038637 /nfs/dbraw/zinc/03/86/37/388038637.db2.gz INZVCIUYUDJBIG-UHFFFAOYSA-N 0 3 247.382 3.038 20 0 BGADHN CC[C@H]1COCCN1CCCc1ccccc1C ZINC000440325360 388038829 /nfs/dbraw/zinc/03/88/29/388038829.db2.gz LQIACLWYWGXXRY-INIZCTEOSA-N 0 3 247.382 3.038 20 0 BGADHN CC[C@@H]1COCCN1CCCc1ccccc1C ZINC000440325363 388038560 /nfs/dbraw/zinc/03/85/60/388038560.db2.gz LQIACLWYWGXXRY-MRXNPFEDSA-N 0 3 247.382 3.038 20 0 BGADHN Cc1ccccc1CCCN1C[C@H](C)OC[C@H]1C ZINC000440328670 388039310 /nfs/dbraw/zinc/03/93/10/388039310.db2.gz RAXZLSDZILBABL-CABCVRRESA-N 0 3 247.382 3.037 20 0 BGADHN Cc1ccccc1CCCN1C[C@H](C)OC[C@@H]1C ZINC000440328671 388039040 /nfs/dbraw/zinc/03/90/40/388039040.db2.gz RAXZLSDZILBABL-GJZGRUSLSA-N 0 3 247.382 3.037 20 0 BGADHN Cc1ccccc1CCCN1C[C@@H](C)OC[C@H]1C ZINC000440328672 388038899 /nfs/dbraw/zinc/03/88/99/388038899.db2.gz RAXZLSDZILBABL-HUUCEWRRSA-N 0 3 247.382 3.037 20 0 BGADHN Cc1ccccc1CCCN1C[C@@H](C)OC[C@@H]1C ZINC000440328673 388038650 /nfs/dbraw/zinc/03/86/50/388038650.db2.gz RAXZLSDZILBABL-LSDHHAIUSA-N 0 3 247.382 3.037 20 0 BGADHN Cc1ccccc1CCCN1CCSC[C@@H]1C ZINC000440332231 388039352 /nfs/dbraw/zinc/03/93/52/388039352.db2.gz QLZXLVPGTWNCAX-AWEZNQCLSA-N 0 3 249.423 3.365 20 0 BGADHN Cc1ccccc1CCCN1CCSC[C@H]1C ZINC000440332232 388039511 /nfs/dbraw/zinc/03/95/11/388039511.db2.gz QLZXLVPGTWNCAX-CQSZACIVSA-N 0 3 249.423 3.365 20 0 BGADHN CC(C)CCN(C)Cc1cnc(C(C)C)nc1 ZINC000440461268 206078693 /nfs/dbraw/zinc/07/86/93/206078693.db2.gz CKYIIPHMUGHUTE-UHFFFAOYSA-N 0 3 235.375 3.078 20 0 BGADHN CC[C@@H](C)CN(C)Cc1cnc(C(C)C)nc1 ZINC000440465933 206079066 /nfs/dbraw/zinc/07/90/66/206079066.db2.gz DXEKYYKMUFCTAK-GFCCVEGCSA-N 0 3 235.375 3.078 20 0 BGADHN CC[C@H](C)CN(C)Cc1cnc(C(C)C)nc1 ZINC000440465935 206078937 /nfs/dbraw/zinc/07/89/37/206078937.db2.gz DXEKYYKMUFCTAK-LBPRGKRZSA-N 0 3 235.375 3.078 20 0 BGADHN CCCCCN(C)Cc1cnc(C(C)C)nc1 ZINC000440467469 206079051 /nfs/dbraw/zinc/07/90/51/206079051.db2.gz RMRKFRSYTWYMNN-UHFFFAOYSA-N 0 3 235.375 3.222 20 0 BGADHN CC(C)CCCN(C)Cc1cnc(C(C)C)nc1 ZINC000440472693 206078591 /nfs/dbraw/zinc/07/85/91/206078591.db2.gz LFOZAHOXRKZASN-UHFFFAOYSA-N 0 3 249.402 3.468 20 0 BGADHN CC/C=C\CCN(C)Cc1cnc(C(C)C)nc1 ZINC000440475203 206077820 /nfs/dbraw/zinc/07/78/20/206077820.db2.gz FBUGQHCGTXKSTL-SREVYHEPSA-N 0 3 247.386 3.388 20 0 BGADHN CC/C=C/CCN(C)Cc1cnc(C(C)C)nc1 ZINC000440475204 206077360 /nfs/dbraw/zinc/07/73/60/206077360.db2.gz FBUGQHCGTXKSTL-VOTSOKGWSA-N 0 3 247.386 3.388 20 0 BGADHN CC[C@@H](F)CN1CC[C@@H](c2ccc(F)cc2)C1 ZINC000440488992 206079607 /nfs/dbraw/zinc/07/96/07/206079607.db2.gz PBIYFFIHMYPVRC-CHWSQXEVSA-N 0 3 239.309 3.363 20 0 BGADHN CC[C@H](F)CN1CC[C@@H](c2ccc(F)cc2)C1 ZINC000440488994 206077157 /nfs/dbraw/zinc/07/71/57/206077157.db2.gz PBIYFFIHMYPVRC-OLZOCXBDSA-N 0 3 239.309 3.363 20 0 BGADHN CC[C@@H](F)CN1CC[C@H](c2ccc(F)cc2)C1 ZINC000440488996 206077620 /nfs/dbraw/zinc/07/76/20/206077620.db2.gz PBIYFFIHMYPVRC-QWHCGFSZSA-N 0 3 239.309 3.363 20 0 BGADHN CC[C@H](F)CN1CC[C@H](c2ccc(F)cc2)C1 ZINC000440488997 206078493 /nfs/dbraw/zinc/07/84/93/206078493.db2.gz PBIYFFIHMYPVRC-STQMWFEESA-N 0 3 239.309 3.363 20 0 BGADHN CC[C@@H](F)CN1CC[C@H](C(F)(F)F)C1(C)C ZINC000440492388 397928311 /nfs/dbraw/zinc/92/83/11/397928311.db2.gz TYEQHCNEKLFOMO-BDAKNGLRSA-N 0 3 241.272 3.397 20 0 BGADHN CC[C@H](F)CN1CC[C@@H](C(F)(F)F)C1(C)C ZINC000440492390 397928898 /nfs/dbraw/zinc/92/88/98/397928898.db2.gz TYEQHCNEKLFOMO-DTWKUNHWSA-N 0 3 241.272 3.397 20 0 BGADHN CC[C@H](F)CN1CC[C@H](C(F)(F)F)C1(C)C ZINC000440492391 397928566 /nfs/dbraw/zinc/92/85/66/397928566.db2.gz TYEQHCNEKLFOMO-IUCAKERBSA-N 0 3 241.272 3.397 20 0 BGADHN CC[C@@H](F)CN1CC[C@@H](C(F)(F)F)C1(C)C ZINC000440492393 397928661 /nfs/dbraw/zinc/92/86/61/397928661.db2.gz TYEQHCNEKLFOMO-RKDXNWHRSA-N 0 3 241.272 3.397 20 0 BGADHN CCO[C@@H]1C[C@H](NC[C@H](F)CC)C1(CC)CC ZINC000440497950 388045062 /nfs/dbraw/zinc/04/50/62/388045062.db2.gz WUXHDOUOXNONFB-FRRDWIJNSA-N 0 3 245.382 3.308 20 0 BGADHN CCO[C@@H]1C[C@@H](NC[C@H](F)CC)C1(CC)CC ZINC000440497952 388045624 /nfs/dbraw/zinc/04/56/24/388045624.db2.gz WUXHDOUOXNONFB-JHJVBQTASA-N 0 3 245.382 3.308 20 0 BGADHN CCO[C@@H]1C[C@H](NC[C@@H](F)CC)C1(CC)CC ZINC000440497954 206076981 /nfs/dbraw/zinc/07/69/81/206076981.db2.gz WUXHDOUOXNONFB-RWMBFGLXSA-N 0 3 245.382 3.308 20 0 BGADHN CCO[C@@H]1C[C@@H](NC[C@@H](F)CC)C1(CC)CC ZINC000440497955 206078188 /nfs/dbraw/zinc/07/81/88/206078188.db2.gz WUXHDOUOXNONFB-YNEHKIRRSA-N 0 3 245.382 3.308 20 0 BGADHN CC[C@H](F)CN(CCOC)C[C@H]1CC=CCC1 ZINC000440507563 388047400 /nfs/dbraw/zinc/04/74/00/388047400.db2.gz LJLGDZXBZDVONR-KBPBESRZSA-N 0 3 243.366 3.039 20 0 BGADHN CC[C@H](F)CN(CCOC)C[C@@H]1CC=CCC1 ZINC000440507564 388046822 /nfs/dbraw/zinc/04/68/22/388046822.db2.gz LJLGDZXBZDVONR-KGLIPLIRSA-N 0 3 243.366 3.039 20 0 BGADHN CC[C@@H](F)CN(CCOC)C[C@H]1CC=CCC1 ZINC000440507566 388046266 /nfs/dbraw/zinc/04/62/66/388046266.db2.gz LJLGDZXBZDVONR-UONOGXRCSA-N 0 3 243.366 3.039 20 0 BGADHN CC[C@@H](F)CN(CCOC)C[C@@H]1CC=CCC1 ZINC000440507567 388047886 /nfs/dbraw/zinc/04/78/86/388047886.db2.gz LJLGDZXBZDVONR-ZIAGYGMSSA-N 0 3 243.366 3.039 20 0 BGADHN CC[C@@H](F)CN(C)Cc1cccc2[nH]ccc21 ZINC000440508163 388047046 /nfs/dbraw/zinc/04/70/46/388047046.db2.gz BVQIHZKLWBKQJY-GFCCVEGCSA-N 0 3 234.318 3.348 20 0 BGADHN CC[C@H](F)CN(C)Cc1cccc2[nH]ccc21 ZINC000440508165 388047757 /nfs/dbraw/zinc/04/77/57/388047757.db2.gz BVQIHZKLWBKQJY-LBPRGKRZSA-N 0 3 234.318 3.348 20 0 BGADHN CC[C@H](F)CN1CCCc2ccccc2C1 ZINC000440508976 388046287 /nfs/dbraw/zinc/04/62/87/388046287.db2.gz NSKJIBFCSRGPQZ-AWEZNQCLSA-N 0 3 221.319 3.183 20 0 BGADHN CC[C@@H](F)CN1CCCc2ccccc2C1 ZINC000440508979 388046477 /nfs/dbraw/zinc/04/64/77/388046477.db2.gz NSKJIBFCSRGPQZ-CQSZACIVSA-N 0 3 221.319 3.183 20 0 BGADHN CC[C@@H](F)CN1CCSC(CC)(CC)C1 ZINC000440518635 388050845 /nfs/dbraw/zinc/05/08/45/388050845.db2.gz JZFDDOHVKDECEO-LLVKDONJSA-N 0 3 233.396 3.342 20 0 BGADHN CC[C@H](F)CN1CCSC(CC)(CC)C1 ZINC000440518639 388051079 /nfs/dbraw/zinc/05/10/79/388051079.db2.gz JZFDDOHVKDECEO-NSHDSACASA-N 0 3 233.396 3.342 20 0 BGADHN CC[C@@H](F)CN1CC[C@@H](C)C(C)(C)C1 ZINC000440521697 388050710 /nfs/dbraw/zinc/05/07/10/388050710.db2.gz SBQCOGBXIRYPLH-GHMZBOCLSA-N 0 3 201.329 3.103 20 0 BGADHN CC[C@H](F)CN1CC[C@@H](C)C(C)(C)C1 ZINC000440521698 388051653 /nfs/dbraw/zinc/05/16/53/388051653.db2.gz SBQCOGBXIRYPLH-MNOVXSKESA-N 0 3 201.329 3.103 20 0 BGADHN CC[C@H](F)CN1CC[C@H](C)C(C)(C)C1 ZINC000440521700 388050915 /nfs/dbraw/zinc/05/09/15/388050915.db2.gz SBQCOGBXIRYPLH-QWRGUYRKSA-N 0 3 201.329 3.103 20 0 BGADHN CC[C@@H](F)CN1CC[C@H](C)C(C)(C)C1 ZINC000440521701 388051792 /nfs/dbraw/zinc/05/17/92/388051792.db2.gz SBQCOGBXIRYPLH-WDEREUQCSA-N 0 3 201.329 3.103 20 0 BGADHN CC[C@@H](F)CN1C[C@H](C)CC(C)(C)C1 ZINC000440528277 397931104 /nfs/dbraw/zinc/93/11/04/397931104.db2.gz VESLGHMZFYUSEJ-GHMZBOCLSA-N 0 3 201.329 3.103 20 0 BGADHN CC[C@H](F)CN1C[C@H](C)CC(C)(C)C1 ZINC000440528280 397930951 /nfs/dbraw/zinc/93/09/51/397930951.db2.gz VESLGHMZFYUSEJ-MNOVXSKESA-N 0 3 201.329 3.103 20 0 BGADHN CC[C@H](F)CN1C[C@@H](C)CC(C)(C)C1 ZINC000440528282 397931109 /nfs/dbraw/zinc/93/11/09/397931109.db2.gz VESLGHMZFYUSEJ-QWRGUYRKSA-N 0 3 201.329 3.103 20 0 BGADHN CC[C@@H](F)CN1C[C@@H](C)CC(C)(C)C1 ZINC000440528285 397931455 /nfs/dbraw/zinc/93/14/55/397931455.db2.gz VESLGHMZFYUSEJ-WDEREUQCSA-N 0 3 201.329 3.103 20 0 BGADHN CC[C@H](F)CN1CCC(c2ccncc2)CC1 ZINC000440528685 397930940 /nfs/dbraw/zinc/93/09/40/397930940.db2.gz FNWZLXZLMGRLQO-AWEZNQCLSA-N 0 3 236.334 3.009 20 0 BGADHN CC[C@@H](F)CN1CCC(c2ccncc2)CC1 ZINC000440528687 397931642 /nfs/dbraw/zinc/93/16/42/397931642.db2.gz FNWZLXZLMGRLQO-CQSZACIVSA-N 0 3 236.334 3.009 20 0 BGADHN CC[C@@H](F)CN1CCCC2(CCCC2)C1 ZINC000440529066 397931390 /nfs/dbraw/zinc/93/13/90/397931390.db2.gz GOLUUCGWHRMKRW-GFCCVEGCSA-N 0 3 213.340 3.391 20 0 BGADHN CC[C@H](F)CN1CCCC2(CCCC2)C1 ZINC000440529067 397931134 /nfs/dbraw/zinc/93/11/34/397931134.db2.gz GOLUUCGWHRMKRW-LBPRGKRZSA-N 0 3 213.340 3.391 20 0 BGADHN CC[C@H](F)CN(C)CC1(c2ccccc2)CC1 ZINC000440530327 388053255 /nfs/dbraw/zinc/05/32/55/388053255.db2.gz YGVUEPMKMNYAPO-AWEZNQCLSA-N 0 3 235.346 3.398 20 0 BGADHN CC[C@@H](F)CN(C)CC1(c2ccccc2)CC1 ZINC000440530328 388053541 /nfs/dbraw/zinc/05/35/41/388053541.db2.gz YGVUEPMKMNYAPO-CQSZACIVSA-N 0 3 235.346 3.398 20 0 BGADHN CCOc1cccc([C@H](C)NC[C@@H](F)CC)c1 ZINC000440594552 388059201 /nfs/dbraw/zinc/05/92/01/388059201.db2.gz LTHHXEHESYGVHC-AAEUAGOBSA-N 0 3 239.334 3.484 20 0 BGADHN CCOc1cccc([C@@H](C)NC[C@H](F)CC)c1 ZINC000440594553 388059466 /nfs/dbraw/zinc/05/94/66/388059466.db2.gz LTHHXEHESYGVHC-DGCLKSJQSA-N 0 3 239.334 3.484 20 0 BGADHN CCOc1cccc([C@H](C)NC[C@H](F)CC)c1 ZINC000440594555 388059214 /nfs/dbraw/zinc/05/92/14/388059214.db2.gz LTHHXEHESYGVHC-WCQYABFASA-N 0 3 239.334 3.484 20 0 BGADHN CCOc1cccc([C@@H](C)NC[C@@H](F)CC)c1 ZINC000440594556 388059153 /nfs/dbraw/zinc/05/91/53/388059153.db2.gz LTHHXEHESYGVHC-YPMHNXCESA-N 0 3 239.334 3.484 20 0 BGADHN CC[C@H](F)CN(CC)CCc1ccccc1 ZINC000440689926 386079449 /nfs/dbraw/zinc/07/94/49/386079449.db2.gz CXMXIUYDSZTBFA-AWEZNQCLSA-N 0 3 223.335 3.299 20 0 BGADHN CC[C@@H](F)CN(CC)CCc1ccccc1 ZINC000440689927 386078243 /nfs/dbraw/zinc/07/82/43/386078243.db2.gz CXMXIUYDSZTBFA-CQSZACIVSA-N 0 3 223.335 3.299 20 0 BGADHN CC[C@@H](F)CN(C)[C@H]1CCc2ccccc2C1 ZINC000440692212 388067650 /nfs/dbraw/zinc/06/76/50/388067650.db2.gz KFXFSNYHRXYOEZ-CABCVRRESA-N 0 3 235.346 3.224 20 0 BGADHN CC[C@H](F)CN(C)[C@H]1CCc2ccccc2C1 ZINC000440692214 388065192 /nfs/dbraw/zinc/06/51/92/388065192.db2.gz KFXFSNYHRXYOEZ-GJZGRUSLSA-N 0 3 235.346 3.224 20 0 BGADHN CC[C@@H](F)CN(C)[C@@H]1CCc2ccccc2C1 ZINC000440692217 388064759 /nfs/dbraw/zinc/06/47/59/388064759.db2.gz KFXFSNYHRXYOEZ-HUUCEWRRSA-N 0 3 235.346 3.224 20 0 BGADHN CC[C@H](F)CN(C)[C@@H]1CCc2ccccc2C1 ZINC000440692219 388065849 /nfs/dbraw/zinc/06/58/49/388065849.db2.gz KFXFSNYHRXYOEZ-LSDHHAIUSA-N 0 3 235.346 3.224 20 0 BGADHN CC[C@@H](F)CN(C)CCc1ccc(F)cc1 ZINC000440693903 388066549 /nfs/dbraw/zinc/06/65/49/388066549.db2.gz PFNGKLARZKHNDY-GFCCVEGCSA-N 0 3 227.298 3.048 20 0 BGADHN CC[C@H](F)CN(C)CCc1ccc(F)cc1 ZINC000440693905 388067813 /nfs/dbraw/zinc/06/78/13/388067813.db2.gz PFNGKLARZKHNDY-LBPRGKRZSA-N 0 3 227.298 3.048 20 0 BGADHN CC[C@@H](F)CN1CCC[C@H]1Cc1ccccc1 ZINC000440696075 388068271 /nfs/dbraw/zinc/06/82/71/388068271.db2.gz HTTSHPIFZBLEKJ-CABCVRRESA-N 0 3 235.346 3.442 20 0 BGADHN CC[C@H](F)CN1CCC[C@H]1Cc1ccccc1 ZINC000440696076 388069061 /nfs/dbraw/zinc/06/90/61/388069061.db2.gz HTTSHPIFZBLEKJ-GJZGRUSLSA-N 0 3 235.346 3.442 20 0 BGADHN CC[C@@H](F)CN1CCC[C@@H]1Cc1ccccc1 ZINC000440696077 388069620 /nfs/dbraw/zinc/06/96/20/388069620.db2.gz HTTSHPIFZBLEKJ-HUUCEWRRSA-N 0 3 235.346 3.442 20 0 BGADHN CC[C@H](F)CN1CCC[C@@H]1Cc1ccccc1 ZINC000440696078 388068156 /nfs/dbraw/zinc/06/81/56/388068156.db2.gz HTTSHPIFZBLEKJ-LSDHHAIUSA-N 0 3 235.346 3.442 20 0 BGADHN CC[C@H](F)CN(C)[C@@H](C)c1ccccc1 ZINC000440696248 388068134 /nfs/dbraw/zinc/06/81/34/388068134.db2.gz SLUFWLUULXXZNB-AAEUAGOBSA-N 0 3 209.308 3.428 20 0 BGADHN CC[C@@H](F)CN(C)[C@H](C)c1ccccc1 ZINC000440696250 388069940 /nfs/dbraw/zinc/06/99/40/388069940.db2.gz SLUFWLUULXXZNB-DGCLKSJQSA-N 0 3 209.308 3.428 20 0 BGADHN CC[C@@H](F)CN(C)[C@@H](C)c1ccccc1 ZINC000440696251 388068933 /nfs/dbraw/zinc/06/89/33/388068933.db2.gz SLUFWLUULXXZNB-WCQYABFASA-N 0 3 209.308 3.428 20 0 BGADHN CC[C@H](F)CN(C)[C@H](C)c1ccccc1 ZINC000440696253 388068167 /nfs/dbraw/zinc/06/81/67/388068167.db2.gz SLUFWLUULXXZNB-YPMHNXCESA-N 0 3 209.308 3.428 20 0 BGADHN CC[C@@H](F)CN(CC)Cc1ccccc1 ZINC000440698618 388068239 /nfs/dbraw/zinc/06/82/39/388068239.db2.gz PPJPFQIIZVRIQG-CYBMUJFWSA-N 0 3 209.308 3.257 20 0 BGADHN CC[C@H](F)CN(CC)Cc1ccccc1 ZINC000440698619 388068620 /nfs/dbraw/zinc/06/86/20/388068620.db2.gz PPJPFQIIZVRIQG-ZDUSSCGKSA-N 0 3 209.308 3.257 20 0 BGADHN CC[C@@H](F)CN1CCC(OC2CCCC2)CC1 ZINC000440698945 206080003 /nfs/dbraw/zinc/08/00/03/206080003.db2.gz RCWJBXUIZZDAIM-GFCCVEGCSA-N 0 3 243.366 3.158 20 0 BGADHN CC[C@H](F)CN1CCC(OC2CCCC2)CC1 ZINC000440698947 388069656 /nfs/dbraw/zinc/06/96/56/388069656.db2.gz RCWJBXUIZZDAIM-LBPRGKRZSA-N 0 3 243.366 3.158 20 0 BGADHN CC[C@H](F)CN1CC[C@H](c2ccccc2)C1 ZINC000440700635 388068459 /nfs/dbraw/zinc/06/84/59/388068459.db2.gz YCLFCCRRIQGUMN-KBPBESRZSA-N 0 3 221.319 3.224 20 0 BGADHN CC[C@H](F)CN1CC[C@@H](c2ccccc2)C1 ZINC000440700637 388069484 /nfs/dbraw/zinc/06/94/84/388069484.db2.gz YCLFCCRRIQGUMN-KGLIPLIRSA-N 0 3 221.319 3.224 20 0 BGADHN CC[C@@H](F)CN1CC[C@H](c2ccccc2)C1 ZINC000440700639 388065510 /nfs/dbraw/zinc/06/55/10/388065510.db2.gz YCLFCCRRIQGUMN-UONOGXRCSA-N 0 3 221.319 3.224 20 0 BGADHN CC[C@@H](F)CN1CC[C@@H](c2ccccc2)C1 ZINC000440700641 388064708 /nfs/dbraw/zinc/06/47/08/388064708.db2.gz YCLFCCRRIQGUMN-ZIAGYGMSSA-N 0 3 221.319 3.224 20 0 BGADHN CC[C@H](F)CN(C)CCCc1ccccc1 ZINC000440701622 388071069 /nfs/dbraw/zinc/07/10/69/388071069.db2.gz BFTHSUIAIJIWGK-AWEZNQCLSA-N 0 3 223.335 3.299 20 0 BGADHN CC[C@@H](F)CN(C)CCCc1ccccc1 ZINC000440701623 206080542 /nfs/dbraw/zinc/08/05/42/206080542.db2.gz BFTHSUIAIJIWGK-CQSZACIVSA-N 0 3 223.335 3.299 20 0 BGADHN CC[C@H](F)CN1CCc2ccccc2[C@@H]1C ZINC000440701779 206080501 /nfs/dbraw/zinc/08/05/01/206080501.db2.gz MLMMUZZWZMDBOA-AAEUAGOBSA-N 0 3 221.319 3.354 20 0 BGADHN CC[C@@H](F)CN1CCc2ccccc2[C@H]1C ZINC000440701781 206080233 /nfs/dbraw/zinc/08/02/33/206080233.db2.gz MLMMUZZWZMDBOA-DGCLKSJQSA-N 0 3 221.319 3.354 20 0 BGADHN CC[C@@H](F)CN1CCc2ccccc2[C@@H]1C ZINC000440701783 388071867 /nfs/dbraw/zinc/07/18/67/388071867.db2.gz MLMMUZZWZMDBOA-WCQYABFASA-N 0 3 221.319 3.354 20 0 BGADHN CC[C@H](F)CN1CCc2ccccc2[C@H]1C ZINC000440701785 388071660 /nfs/dbraw/zinc/07/16/60/388071660.db2.gz MLMMUZZWZMDBOA-YPMHNXCESA-N 0 3 221.319 3.354 20 0 BGADHN CC[C@@H](F)CN1CCC(C)(CC)CC1 ZINC000440702908 388070187 /nfs/dbraw/zinc/07/01/87/388070187.db2.gz LRUNQYXUUGMTMJ-LLVKDONJSA-N 0 3 201.329 3.247 20 0 BGADHN CC[C@H](F)CN1CCC(C)(CC)CC1 ZINC000440702909 388071740 /nfs/dbraw/zinc/07/17/40/388071740.db2.gz LRUNQYXUUGMTMJ-NSHDSACASA-N 0 3 201.329 3.247 20 0 BGADHN CC[C@@H](F)CN(C)CC1CCCCC1 ZINC000440703799 388070715 /nfs/dbraw/zinc/07/07/15/388070715.db2.gz NIJIPROKIILZOQ-GFCCVEGCSA-N 0 3 201.329 3.247 20 0 BGADHN CC[C@H](F)CN(C)CC1CCCCC1 ZINC000440703800 388070478 /nfs/dbraw/zinc/07/04/78/388070478.db2.gz NIJIPROKIILZOQ-LBPRGKRZSA-N 0 3 201.329 3.247 20 0 BGADHN CC[C@@H](F)CN1CCC(OCCC(C)C)CC1 ZINC000440704104 388071594 /nfs/dbraw/zinc/07/15/94/388071594.db2.gz NLIABRSHIOZLRF-CYBMUJFWSA-N 0 3 245.382 3.262 20 0 BGADHN CC[C@H](F)CN1CCC(OCCC(C)C)CC1 ZINC000440704106 388071858 /nfs/dbraw/zinc/07/18/58/388071858.db2.gz NLIABRSHIOZLRF-ZDUSSCGKSA-N 0 3 245.382 3.262 20 0 BGADHN CC[C@H](F)CN1CCC[C@H]2CCCC[C@@H]21 ZINC000440704725 388070273 /nfs/dbraw/zinc/07/02/73/388070273.db2.gz XEFHPICBFUDRSV-AGIUHOORSA-N 0 3 213.340 3.389 20 0 BGADHN CC[C@H](F)CN1CCC[C@@H]2CCCC[C@@H]21 ZINC000440704728 387674095 /nfs/dbraw/zinc/67/40/95/387674095.db2.gz XEFHPICBFUDRSV-AVGNSLFASA-N 0 3 213.340 3.389 20 0 BGADHN CC[C@H](F)CN1CCC[C@H]2CCCC[C@H]21 ZINC000440704730 387675912 /nfs/dbraw/zinc/67/59/12/387675912.db2.gz XEFHPICBFUDRSV-FRRDWIJNSA-N 0 3 213.340 3.389 20 0 BGADHN CC[C@H](F)CN1CCC[C@@H]2CCCC[C@H]21 ZINC000440704732 387673678 /nfs/dbraw/zinc/67/36/78/387673678.db2.gz XEFHPICBFUDRSV-RWMBFGLXSA-N 0 3 213.340 3.389 20 0 BGADHN CCCO[C@@H]1CCCN(C[C@H](F)CC)CC1 ZINC000440707217 388065147 /nfs/dbraw/zinc/06/51/47/388065147.db2.gz XVKKESVGPUVFDL-CHWSQXEVSA-N 0 3 231.355 3.016 20 0 BGADHN CCCO[C@H]1CCCN(C[C@H](F)CC)CC1 ZINC000440707219 388064565 /nfs/dbraw/zinc/06/45/65/388064565.db2.gz XVKKESVGPUVFDL-OLZOCXBDSA-N 0 3 231.355 3.016 20 0 BGADHN CCCO[C@@H]1CCCN(C[C@@H](F)CC)CC1 ZINC000440707345 388065782 /nfs/dbraw/zinc/06/57/82/388065782.db2.gz XVKKESVGPUVFDL-QWHCGFSZSA-N 0 3 231.355 3.016 20 0 BGADHN CCCO[C@H]1CCCN(C[C@@H](F)CC)CC1 ZINC000440707346 388064671 /nfs/dbraw/zinc/06/46/71/388064671.db2.gz XVKKESVGPUVFDL-STQMWFEESA-N 0 3 231.355 3.016 20 0 BGADHN CC[C@@H](F)CN(C)C[C@H](C)c1ccccc1 ZINC000440707982 387673966 /nfs/dbraw/zinc/67/39/66/387673966.db2.gz WUMHMTWZKNTVGC-GXTWGEPZSA-N 0 3 223.335 3.470 20 0 BGADHN CC[C@H](F)CN(C)C[C@H](C)c1ccccc1 ZINC000440707983 387675244 /nfs/dbraw/zinc/67/52/44/387675244.db2.gz WUMHMTWZKNTVGC-JSGCOSHPSA-N 0 3 223.335 3.470 20 0 BGADHN CC[C@H](F)CN(C)C[C@@H](C)c1ccccc1 ZINC000440707984 387675223 /nfs/dbraw/zinc/67/52/23/387675223.db2.gz WUMHMTWZKNTVGC-OCCSQVGLSA-N 0 3 223.335 3.470 20 0 BGADHN CC[C@@H](F)CN(C)C[C@@H](C)c1ccccc1 ZINC000440707985 387675089 /nfs/dbraw/zinc/67/50/89/387675089.db2.gz WUMHMTWZKNTVGC-TZMCWYRMSA-N 0 3 223.335 3.470 20 0 BGADHN CC[C@@H](F)CN(C)CCCOc1ccccc1 ZINC000440708247 387675322 /nfs/dbraw/zinc/67/53/22/387675322.db2.gz BZLAMQHSLPXBLG-CYBMUJFWSA-N 0 3 239.334 3.135 20 0 BGADHN CC[C@H](F)CN(C)CCCOc1ccccc1 ZINC000440708248 387674368 /nfs/dbraw/zinc/67/43/68/387674368.db2.gz BZLAMQHSLPXBLG-ZDUSSCGKSA-N 0 3 239.334 3.135 20 0 BGADHN CC[C@H](F)CN(C)[C@@H]1CCc2ccccc21 ZINC000440708760 388067733 /nfs/dbraw/zinc/06/77/33/388067733.db2.gz GFNBGYLVWKOTOU-GXTWGEPZSA-N 0 3 221.319 3.354 20 0 BGADHN CC[C@H](F)CN(C)[C@H]1CCc2ccccc21 ZINC000440708762 388067165 /nfs/dbraw/zinc/06/71/65/388067165.db2.gz GFNBGYLVWKOTOU-JSGCOSHPSA-N 0 3 221.319 3.354 20 0 BGADHN CC[C@@H](F)CN(C)[C@H]1CCc2ccccc21 ZINC000440708763 388066735 /nfs/dbraw/zinc/06/67/35/388066735.db2.gz GFNBGYLVWKOTOU-OCCSQVGLSA-N 0 3 221.319 3.354 20 0 BGADHN CC[C@@H](F)CN(C)[C@@H]1CCc2ccccc21 ZINC000440708764 388067886 /nfs/dbraw/zinc/06/78/86/388067886.db2.gz GFNBGYLVWKOTOU-TZMCWYRMSA-N 0 3 221.319 3.354 20 0 BGADHN CC[C@@H](F)CN(CCC(C)C)C1CC1 ZINC000440712279 537950168 /nfs/dbraw/zinc/95/01/68/537950168.db2.gz LLXGWPRMXIJWTC-LLVKDONJSA-N 0 3 201.329 3.245 20 0 BGADHN CC[C@H](F)CN(CCC(C)C)C1CC1 ZINC000440712280 537949869 /nfs/dbraw/zinc/94/98/69/537949869.db2.gz LLXGWPRMXIJWTC-NSHDSACASA-N 0 3 201.329 3.245 20 0 BGADHN CCS[C@H]1CCCCN(C[C@H](F)CC)C1 ZINC000440713997 387680253 /nfs/dbraw/zinc/68/02/53/387680253.db2.gz TTXAFOVOJYOVPU-NEPJUHHUSA-N 0 3 233.396 3.342 20 0 BGADHN CCS[C@@H]1CCCCN(C[C@@H](F)CC)C1 ZINC000440713998 387681131 /nfs/dbraw/zinc/68/11/31/387681131.db2.gz TTXAFOVOJYOVPU-NWDGAFQWSA-N 0 3 233.396 3.342 20 0 BGADHN CCS[C@H]1CCCCN(C[C@@H](F)CC)C1 ZINC000440713999 387682055 /nfs/dbraw/zinc/68/20/55/387682055.db2.gz TTXAFOVOJYOVPU-RYUDHWBXSA-N 0 3 233.396 3.342 20 0 BGADHN CCS[C@@H]1CCCCN(C[C@H](F)CC)C1 ZINC000440714000 387681313 /nfs/dbraw/zinc/68/13/13/387681313.db2.gz TTXAFOVOJYOVPU-VXGBXAGGSA-N 0 3 233.396 3.342 20 0 BGADHN CC[C@@H](F)CN(CC)CCc1cccs1 ZINC000440716426 387680756 /nfs/dbraw/zinc/68/07/56/387680756.db2.gz SEEMPHKKEFKDET-LLVKDONJSA-N 0 3 229.364 3.361 20 0 BGADHN CC[C@H](F)CN(CC)CCc1cccs1 ZINC000440716430 387679886 /nfs/dbraw/zinc/67/98/86/387679886.db2.gz SEEMPHKKEFKDET-NSHDSACASA-N 0 3 229.364 3.361 20 0 BGADHN CC[C@@H](F)CN1CC[C@](C)(c2ccccc2)C1 ZINC000440765652 387687363 /nfs/dbraw/zinc/68/73/63/387687363.db2.gz PFFCKJSHQXPSCI-CABCVRRESA-N 0 3 235.346 3.398 20 0 BGADHN CC[C@H](F)CN1CC[C@](C)(c2ccccc2)C1 ZINC000440765656 387686182 /nfs/dbraw/zinc/68/61/82/387686182.db2.gz PFFCKJSHQXPSCI-GJZGRUSLSA-N 0 3 235.346 3.398 20 0 BGADHN CC[C@@H](F)CN1CC[C@@](C)(c2ccccc2)C1 ZINC000440765658 387685989 /nfs/dbraw/zinc/68/59/89/387685989.db2.gz PFFCKJSHQXPSCI-HUUCEWRRSA-N 0 3 235.346 3.398 20 0 BGADHN CC[C@H](F)CN1CC[C@@](C)(c2ccccc2)C1 ZINC000440765660 387687324 /nfs/dbraw/zinc/68/73/24/387687324.db2.gz PFFCKJSHQXPSCI-LSDHHAIUSA-N 0 3 235.346 3.398 20 0 BGADHN CCS[C@@H]1CC[C@H](N(C)C[C@H](F)CC)C1 ZINC000440770293 387689504 /nfs/dbraw/zinc/68/95/04/387689504.db2.gz IPPACNANVYUYLF-GRYCIOLGSA-N 0 3 233.396 3.341 20 0 BGADHN CCS[C@@H]1CC[C@@H](N(C)C[C@H](F)CC)C1 ZINC000440770295 387689651 /nfs/dbraw/zinc/68/96/51/387689651.db2.gz IPPACNANVYUYLF-IJLUTSLNSA-N 0 3 233.396 3.341 20 0 BGADHN CCS[C@@H]1CC[C@@H](N(C)C[C@@H](F)CC)C1 ZINC000440770296 201513853 /nfs/dbraw/zinc/51/38/53/201513853.db2.gz IPPACNANVYUYLF-QJPTWQEYSA-N 0 3 233.396 3.341 20 0 BGADHN CCS[C@@H]1CC[C@H](N(C)C[C@@H](F)CC)C1 ZINC000440770298 387686481 /nfs/dbraw/zinc/68/64/81/387686481.db2.gz IPPACNANVYUYLF-SDDRHHMPSA-N 0 3 233.396 3.341 20 0 BGADHN CC[C@H](F)CN(C)[C@@H](C)Cc1ccc(O)cc1 ZINC000440771236 387690457 /nfs/dbraw/zinc/69/04/57/387690457.db2.gz NEEWHDSZLIHBKP-AAEUAGOBSA-N 0 3 239.334 3.003 20 0 BGADHN CC[C@@H](F)CN(C)[C@H](C)Cc1ccc(O)cc1 ZINC000440771237 387688430 /nfs/dbraw/zinc/68/84/30/387688430.db2.gz NEEWHDSZLIHBKP-DGCLKSJQSA-N 0 3 239.334 3.003 20 0 BGADHN CC[C@@H](F)CN(C)[C@@H](C)Cc1ccc(O)cc1 ZINC000440771238 387690058 /nfs/dbraw/zinc/69/00/58/387690058.db2.gz NEEWHDSZLIHBKP-WCQYABFASA-N 0 3 239.334 3.003 20 0 BGADHN CC[C@H](F)CN(C)[C@H](C)Cc1ccc(O)cc1 ZINC000440771239 387690828 /nfs/dbraw/zinc/69/08/28/387690828.db2.gz NEEWHDSZLIHBKP-YPMHNXCESA-N 0 3 239.334 3.003 20 0 BGADHN CC[C@@H](NC[C@@H](F)CC)c1ccc(OC)cc1 ZINC000440773505 201518414 /nfs/dbraw/zinc/51/84/14/201518414.db2.gz JIJBGFVSXDJHRE-GXTWGEPZSA-N 0 3 239.334 3.484 20 0 BGADHN CC[C@H](F)CN[C@@H](CC)c1ccc(OC)cc1 ZINC000440773508 387692339 /nfs/dbraw/zinc/69/23/39/387692339.db2.gz JIJBGFVSXDJHRE-JSGCOSHPSA-N 0 3 239.334 3.484 20 0 BGADHN CC[C@@H](F)CN[C@@H](CC)c1ccc(OC)cc1 ZINC000440773509 201518882 /nfs/dbraw/zinc/51/88/82/201518882.db2.gz JIJBGFVSXDJHRE-OCCSQVGLSA-N 0 3 239.334 3.484 20 0 BGADHN CC[C@@H](F)CN[C@H](CC)c1ccc(OC)cc1 ZINC000440773511 387692425 /nfs/dbraw/zinc/69/24/25/387692425.db2.gz JIJBGFVSXDJHRE-TZMCWYRMSA-N 0 3 239.334 3.484 20 0 BGADHN CC[C@@H](F)CN1Cc2ccccc2C[C@H]1C ZINC000440775133 387692770 /nfs/dbraw/zinc/69/27/70/387692770.db2.gz PQLNMSNEAVWMBM-BXUZGUMPSA-N 0 3 221.319 3.181 20 0 BGADHN CC[C@H](F)CN1Cc2ccccc2C[C@@H]1C ZINC000440775134 387694417 /nfs/dbraw/zinc/69/44/17/387694417.db2.gz PQLNMSNEAVWMBM-FZMZJTMJSA-N 0 3 221.319 3.181 20 0 BGADHN CC[C@H](F)CN1Cc2ccccc2C[C@H]1C ZINC000440775135 387691983 /nfs/dbraw/zinc/69/19/83/387691983.db2.gz PQLNMSNEAVWMBM-RISCZKNCSA-N 0 3 221.319 3.181 20 0 BGADHN CC[C@@H](F)CN1Cc2ccccc2C[C@@H]1C ZINC000440775136 387692152 /nfs/dbraw/zinc/69/21/52/387692152.db2.gz PQLNMSNEAVWMBM-SMDDNHRTSA-N 0 3 221.319 3.181 20 0 BGADHN CCSCC[C@@H](C)N(C)C[C@H](F)CC ZINC000440777068 387694285 /nfs/dbraw/zinc/69/42/85/387694285.db2.gz FCOXAIFPTXAVHR-GHMZBOCLSA-N 0 3 221.385 3.198 20 0 BGADHN CCSCC[C@@H](C)N(C)C[C@@H](F)CC ZINC000440777069 387693790 /nfs/dbraw/zinc/69/37/90/387693790.db2.gz FCOXAIFPTXAVHR-MNOVXSKESA-N 0 3 221.385 3.198 20 0 BGADHN CCSCC[C@H](C)N(C)C[C@@H](F)CC ZINC000440777070 387692679 /nfs/dbraw/zinc/69/26/79/387692679.db2.gz FCOXAIFPTXAVHR-QWRGUYRKSA-N 0 3 221.385 3.198 20 0 BGADHN CCSCC[C@H](C)N(C)C[C@H](F)CC ZINC000440777072 387692902 /nfs/dbraw/zinc/69/29/02/387692902.db2.gz FCOXAIFPTXAVHR-WDEREUQCSA-N 0 3 221.385 3.198 20 0 BGADHN CC[C@H](F)CN1CCS[C@@H]2CCCC[C@H]21 ZINC000440783040 386151340 /nfs/dbraw/zinc/15/13/40/386151340.db2.gz KKRUEMLNFQJRTI-QJPTWQEYSA-N 0 3 231.380 3.095 20 0 BGADHN CC[C@H](F)CN1CCS[C@@H]2CCCC[C@@H]21 ZINC000440783042 386152003 /nfs/dbraw/zinc/15/20/03/386152003.db2.gz KKRUEMLNFQJRTI-SDDRHHMPSA-N 0 3 231.380 3.095 20 0 BGADHN CC[C@H](F)CN1CCS[C@H]2CCCC[C@@H]21 ZINC000440783044 386151792 /nfs/dbraw/zinc/15/17/92/386151792.db2.gz KKRUEMLNFQJRTI-SRVKXCTJSA-N 0 3 231.380 3.095 20 0 BGADHN CC[C@H](F)CN1CCS[C@H]2CCCC[C@H]21 ZINC000440783045 386150856 /nfs/dbraw/zinc/15/08/56/386150856.db2.gz KKRUEMLNFQJRTI-TUAOUCFPSA-N 0 3 231.380 3.095 20 0 BGADHN CC[C@@H](F)CN1CC=C(C(C)(C)C)CC1 ZINC000440785778 387696768 /nfs/dbraw/zinc/69/67/68/387696768.db2.gz XKEGYQOUTQKZIA-GFCCVEGCSA-N 0 3 213.340 3.413 20 0 BGADHN CC[C@H](F)CN1CC=C(C(C)(C)C)CC1 ZINC000440785779 387696212 /nfs/dbraw/zinc/69/62/12/387696212.db2.gz XKEGYQOUTQKZIA-LBPRGKRZSA-N 0 3 213.340 3.413 20 0 BGADHN CCO[C@@H]1C[C@H](N(C)C[C@H](F)CC)C12CCC2 ZINC000440786909 387698664 /nfs/dbraw/zinc/69/86/64/387698664.db2.gz ULFXDRYMFAYTFZ-FRRDWIJNSA-N 0 3 243.366 3.014 20 0 BGADHN CCO[C@@H]1C[C@@H](N(C)C[C@H](F)CC)C12CCC2 ZINC000440786910 387698273 /nfs/dbraw/zinc/69/82/73/387698273.db2.gz ULFXDRYMFAYTFZ-JHJVBQTASA-N 0 3 243.366 3.014 20 0 BGADHN CCO[C@@H]1C[C@H](N(C)C[C@@H](F)CC)C12CCC2 ZINC000440786912 387698937 /nfs/dbraw/zinc/69/89/37/387698937.db2.gz ULFXDRYMFAYTFZ-RWMBFGLXSA-N 0 3 243.366 3.014 20 0 BGADHN CCO[C@@H]1C[C@@H](N(C)C[C@@H](F)CC)C12CCC2 ZINC000440786914 387700445 /nfs/dbraw/zinc/70/04/45/387700445.db2.gz ULFXDRYMFAYTFZ-YNEHKIRRSA-N 0 3 243.366 3.014 20 0 BGADHN CCC[C@@H]1CCCN(C[C@@H](F)CC)C1 ZINC000440790273 387698970 /nfs/dbraw/zinc/69/89/70/387698970.db2.gz KIZBNXKWLYXHJL-NEPJUHHUSA-N 0 3 201.329 3.247 20 0 BGADHN CCC[C@H]1CCCN(C[C@H](F)CC)C1 ZINC000440790275 387690199 /nfs/dbraw/zinc/69/01/99/387690199.db2.gz KIZBNXKWLYXHJL-NWDGAFQWSA-N 0 3 201.329 3.247 20 0 BGADHN CCC[C@H]1CCCN(C[C@@H](F)CC)C1 ZINC000440790276 387690687 /nfs/dbraw/zinc/69/06/87/387690687.db2.gz KIZBNXKWLYXHJL-RYUDHWBXSA-N 0 3 201.329 3.247 20 0 BGADHN CCC[C@@H]1CCCN(C[C@H](F)CC)C1 ZINC000440790278 387688764 /nfs/dbraw/zinc/68/87/64/387688764.db2.gz KIZBNXKWLYXHJL-VXGBXAGGSA-N 0 3 201.329 3.247 20 0 BGADHN CC[C@@H](F)CN1CCC(C(C)C)CC1 ZINC000440790503 387700165 /nfs/dbraw/zinc/70/01/65/387700165.db2.gz FHXQUWUPEFVLNB-GFCCVEGCSA-N 0 3 201.329 3.103 20 0 BGADHN CC[C@H](F)CN1CCC(C(C)C)CC1 ZINC000440790504 387698323 /nfs/dbraw/zinc/69/83/23/387698323.db2.gz FHXQUWUPEFVLNB-LBPRGKRZSA-N 0 3 201.329 3.103 20 0 BGADHN CC[C@@H](F)CN1CCSC2(CCCCC2)C1 ZINC000440791248 387699814 /nfs/dbraw/zinc/69/98/14/387699814.db2.gz HWVOMDCRARIHIV-GFCCVEGCSA-N 0 3 245.407 3.486 20 0 BGADHN CC[C@H](F)CN1CCSC2(CCCCC2)C1 ZINC000440791250 387700385 /nfs/dbraw/zinc/70/03/85/387700385.db2.gz HWVOMDCRARIHIV-LBPRGKRZSA-N 0 3 245.407 3.486 20 0 BGADHN CC[C@@H](F)CN1CCC2(CCCC2)CC1 ZINC000440791720 387700055 /nfs/dbraw/zinc/70/00/55/387700055.db2.gz JJBGEKROOFBKTH-GFCCVEGCSA-N 0 3 213.340 3.391 20 0 BGADHN CC[C@H](F)CN1CCC2(CCCC2)CC1 ZINC000440791722 387699316 /nfs/dbraw/zinc/69/93/16/387699316.db2.gz JJBGEKROOFBKTH-LBPRGKRZSA-N 0 3 213.340 3.391 20 0 BGADHN CC[C@H](F)CN(C[C@H]1CCCO1)C1CCCC1 ZINC000440791958 387700109 /nfs/dbraw/zinc/70/01/09/387700109.db2.gz LMATYUVSNVCYGK-GXTWGEPZSA-N 0 3 243.366 3.158 20 0 BGADHN CC[C@H](F)CN(C[C@@H]1CCCO1)C1CCCC1 ZINC000440791959 387699505 /nfs/dbraw/zinc/69/95/05/387699505.db2.gz LMATYUVSNVCYGK-JSGCOSHPSA-N 0 3 243.366 3.158 20 0 BGADHN CC[C@@H](F)CN(C[C@@H]1CCCO1)C1CCCC1 ZINC000440791960 387699558 /nfs/dbraw/zinc/69/95/58/387699558.db2.gz LMATYUVSNVCYGK-OCCSQVGLSA-N 0 3 243.366 3.158 20 0 BGADHN CC[C@@H](F)CN(C[C@H]1CCCO1)C1CCCC1 ZINC000440791961 387698019 /nfs/dbraw/zinc/69/80/19/387698019.db2.gz LMATYUVSNVCYGK-TZMCWYRMSA-N 0 3 243.366 3.158 20 0 BGADHN CCCN(C[C@H](F)CC)C[C@H]1CCCCO1 ZINC000440793162 387701533 /nfs/dbraw/zinc/70/15/33/387701533.db2.gz ONERTNSMXTVNCE-CHWSQXEVSA-N 0 3 231.355 3.016 20 0 BGADHN CCCN(C[C@H](F)CC)C[C@@H]1CCCCO1 ZINC000440793163 387703658 /nfs/dbraw/zinc/70/36/58/387703658.db2.gz ONERTNSMXTVNCE-OLZOCXBDSA-N 0 3 231.355 3.016 20 0 BGADHN CCCN(C[C@@H](F)CC)C[C@H]1CCCCO1 ZINC000440793165 387703716 /nfs/dbraw/zinc/70/37/16/387703716.db2.gz ONERTNSMXTVNCE-QWHCGFSZSA-N 0 3 231.355 3.016 20 0 BGADHN CCCN(C[C@@H](F)CC)C[C@@H]1CCCCO1 ZINC000440793166 387702944 /nfs/dbraw/zinc/70/29/44/387702944.db2.gz ONERTNSMXTVNCE-STQMWFEESA-N 0 3 231.355 3.016 20 0 BGADHN CC[C@H](F)CN1CC[C@H](Cc2ccccc2)C1 ZINC000440793704 387702892 /nfs/dbraw/zinc/70/28/92/387702892.db2.gz DGRANZRYRNSXAU-CABCVRRESA-N 0 3 235.346 3.299 20 0 BGADHN CC[C@H](F)CN1CC[C@@H](Cc2ccccc2)C1 ZINC000440793707 387703479 /nfs/dbraw/zinc/70/34/79/387703479.db2.gz DGRANZRYRNSXAU-GJZGRUSLSA-N 0 3 235.346 3.299 20 0 BGADHN CC[C@@H](F)CN1CC[C@H](Cc2ccccc2)C1 ZINC000440793710 387701842 /nfs/dbraw/zinc/70/18/42/387701842.db2.gz DGRANZRYRNSXAU-HUUCEWRRSA-N 0 3 235.346 3.299 20 0 BGADHN CC[C@@H](F)CN1CC[C@@H](Cc2ccccc2)C1 ZINC000440793714 387701201 /nfs/dbraw/zinc/70/12/01/387701201.db2.gz DGRANZRYRNSXAU-LSDHHAIUSA-N 0 3 235.346 3.299 20 0 BGADHN CCCCOC1CCN(C[C@H](F)CC)CC1 ZINC000440798630 201522671 /nfs/dbraw/zinc/52/26/71/201522671.db2.gz PXLWDBUEVFTUAU-GFCCVEGCSA-N 0 3 231.355 3.016 20 0 BGADHN CCCCOC1CCN(C[C@@H](F)CC)CC1 ZINC000440798631 387706510 /nfs/dbraw/zinc/70/65/10/387706510.db2.gz PXLWDBUEVFTUAU-LBPRGKRZSA-N 0 3 231.355 3.016 20 0 BGADHN CC[C@H](F)CN1CC[C@@H](C)C2(CCC2)C1 ZINC000440801256 386159340 /nfs/dbraw/zinc/15/93/40/386159340.db2.gz YJKZZCPQWBCMDD-NEPJUHHUSA-N 0 3 213.340 3.247 20 0 BGADHN CC[C@@H](F)CN1CC[C@H](C)C2(CCC2)C1 ZINC000440801258 386158604 /nfs/dbraw/zinc/15/86/04/386158604.db2.gz YJKZZCPQWBCMDD-NWDGAFQWSA-N 0 3 213.340 3.247 20 0 BGADHN CC[C@H](F)CN1CC[C@H](C)C2(CCC2)C1 ZINC000440801260 386162487 /nfs/dbraw/zinc/16/24/87/386162487.db2.gz YJKZZCPQWBCMDD-RYUDHWBXSA-N 0 3 213.340 3.247 20 0 BGADHN CC[C@@H](F)CN1CC[C@@H](C)C2(CCC2)C1 ZINC000440801262 386162437 /nfs/dbraw/zinc/16/24/37/386162437.db2.gz YJKZZCPQWBCMDD-VXGBXAGGSA-N 0 3 213.340 3.247 20 0 BGADHN CC[C@@H](F)CN1CCC[C@](C)(CC)C1 ZINC000440801335 386162325 /nfs/dbraw/zinc/16/23/25/386162325.db2.gz YZZATMDOJZVGGX-NEPJUHHUSA-N 0 3 201.329 3.247 20 0 BGADHN CC[C@H](F)CN1CCC[C@@](C)(CC)C1 ZINC000440801336 386161025 /nfs/dbraw/zinc/16/10/25/386161025.db2.gz YZZATMDOJZVGGX-NWDGAFQWSA-N 0 3 201.329 3.247 20 0 BGADHN CC[C@H](F)CN1CCC[C@](C)(CC)C1 ZINC000440801337 386162010 /nfs/dbraw/zinc/16/20/10/386162010.db2.gz YZZATMDOJZVGGX-RYUDHWBXSA-N 0 3 201.329 3.247 20 0 BGADHN CC[C@@H](F)CN1CCC[C@@](C)(CC)C1 ZINC000440801338 386162733 /nfs/dbraw/zinc/16/27/33/386162733.db2.gz YZZATMDOJZVGGX-VXGBXAGGSA-N 0 3 201.329 3.247 20 0 BGADHN CCCC(C)(C)NCc1cc(C(F)(F)F)n[nH]1 ZINC000440812379 398209053 /nfs/dbraw/zinc/20/90/53/398209053.db2.gz UGHBBZZDXUTSGR-UHFFFAOYSA-N 0 3 249.280 3.097 20 0 BGADHN CC1(C)CN(Cc2ccccc2)[C@@H]2CCC[C@H]2O1 ZINC000440955989 387716144 /nfs/dbraw/zinc/71/61/44/387716144.db2.gz KIPJLBUIUDIDTR-HUUCEWRRSA-N 0 3 245.366 3.219 20 0 BGADHN CCN(CCC(C)(C)CC)Cc1cnn(C)c1 ZINC000440956638 387717219 /nfs/dbraw/zinc/71/72/19/387717219.db2.gz HWQUCXKJSMMHIG-UHFFFAOYSA-N 0 3 237.391 3.068 20 0 BGADHN CC/C=C\CCN1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000440965099 387719729 /nfs/dbraw/zinc/71/97/29/387719729.db2.gz SDGBGXQUOMSFFZ-HLMASZERSA-N 0 3 237.387 3.375 20 0 BGADHN CC/C=C/CCN1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000440965103 387718618 /nfs/dbraw/zinc/71/86/18/387718618.db2.gz SDGBGXQUOMSFFZ-QAMKJQMISA-N 0 3 237.387 3.375 20 0 BGADHN CC1(C)CN([C@H]2C=CCCC2)[C@@H]2CCC[C@H]2O1 ZINC000440971218 387713670 /nfs/dbraw/zinc/71/36/70/387713670.db2.gz XSABMOSIMJYTCO-BFHYXJOUSA-N 0 3 235.371 3.127 20 0 BGADHN CC1(C)CN([C@@H]2C=CCCC2)[C@@H]2CCC[C@H]2O1 ZINC000440971219 387712950 /nfs/dbraw/zinc/71/29/50/387712950.db2.gz XSABMOSIMJYTCO-MGPQQGTHSA-N 0 3 235.371 3.127 20 0 BGADHN CCCOc1ccc2c(c1)CCN(CCC)C2 ZINC000441097661 387727360 /nfs/dbraw/zinc/72/73/60/387727360.db2.gz YKNUCLLOJUXONG-UHFFFAOYSA-N 0 3 233.355 3.244 20 0 BGADHN c1coc(CNCCc2ccc3[nH]ccc3c2)c1 ZINC000441195422 387735542 /nfs/dbraw/zinc/73/55/42/387735542.db2.gz HQNWAVYASQVRCG-UHFFFAOYSA-N 0 3 240.306 3.093 20 0 BGADHN CCC(C)(C)CCN1CCOCC12CCC2 ZINC000441202853 387735676 /nfs/dbraw/zinc/73/56/76/387735676.db2.gz OBSKOYRHLQXSRH-UHFFFAOYSA-N 0 3 225.376 3.068 20 0 BGADHN C(CC1CCCC1)CN1CCOCC12CCC2 ZINC000441215159 387737599 /nfs/dbraw/zinc/73/75/99/387737599.db2.gz ALSLXYXEDYSPMS-UHFFFAOYSA-N 0 3 237.387 3.212 20 0 BGADHN COc1ccccc1CN(CC1CCC1)C1CC1 ZINC000441227602 387738681 /nfs/dbraw/zinc/73/86/81/387738681.db2.gz ISFGNWNCUUJPCM-UHFFFAOYSA-N 0 3 245.366 3.460 20 0 BGADHN CO[C@@H]1CCN(C/C=C\c2ccccc2)[C@H](C)C1 ZINC000441363891 387750964 /nfs/dbraw/zinc/75/09/64/387750964.db2.gz KXXROLWTGLLQOT-YRPJOXRESA-N 0 3 245.366 3.199 20 0 BGADHN CO[C@@H]1CCN(C/C=C\c2ccccc2)[C@@H](C)C1 ZINC000441363892 387751949 /nfs/dbraw/zinc/75/19/49/387751949.db2.gz KXXROLWTGLLQOT-ZJIBPLLGSA-N 0 3 245.366 3.199 20 0 BGADHN CC[C@@H]1CN(CCC(C)(C)CC)C[C@@H](C)O1 ZINC000441396045 387756513 /nfs/dbraw/zinc/75/65/13/387756513.db2.gz SYTUBKUDEZCGSX-CHWSQXEVSA-N 0 3 227.392 3.312 20 0 BGADHN CC[C@H]1CN(CCC(C)(C)CC)C[C@@H](C)O1 ZINC000441396046 387757122 /nfs/dbraw/zinc/75/71/22/387757122.db2.gz SYTUBKUDEZCGSX-OLZOCXBDSA-N 0 3 227.392 3.312 20 0 BGADHN CC[C@@H]1CN(CCC(C)(C)CC)C[C@H](C)O1 ZINC000441396047 387758441 /nfs/dbraw/zinc/75/84/41/387758441.db2.gz SYTUBKUDEZCGSX-QWHCGFSZSA-N 0 3 227.392 3.312 20 0 BGADHN CC[C@H]1CN(CCC(C)(C)CC)C[C@H](C)O1 ZINC000441396048 387756855 /nfs/dbraw/zinc/75/68/55/387756855.db2.gz SYTUBKUDEZCGSX-STQMWFEESA-N 0 3 227.392 3.312 20 0 BGADHN Clc1cccc2c1CCN(CC1CCC1)C2 ZINC000441442100 387760942 /nfs/dbraw/zinc/76/09/42/387760942.db2.gz SGILBCNDOAOMGW-UHFFFAOYSA-N 0 3 235.758 3.498 20 0 BGADHN CC[C@H](C)[C@@H]1CCCCN1Cc1ncc(C)o1 ZINC000441475751 387762335 /nfs/dbraw/zinc/76/23/35/387762335.db2.gz ITORKPZFOGWUSX-AAEUAGOBSA-N 0 3 236.359 3.384 20 0 BGADHN CC[C@@H](C)[C@H]1CCCCN1Cc1ncc(C)o1 ZINC000441475752 387762972 /nfs/dbraw/zinc/76/29/72/387762972.db2.gz ITORKPZFOGWUSX-DGCLKSJQSA-N 0 3 236.359 3.384 20 0 BGADHN CC[C@H](C)[C@H]1CCCCN1Cc1ncc(C)o1 ZINC000441475754 387763946 /nfs/dbraw/zinc/76/39/46/387763946.db2.gz ITORKPZFOGWUSX-WCQYABFASA-N 0 3 236.359 3.384 20 0 BGADHN CC[C@@H](C)[C@@H]1CCCCN1Cc1ncc(C)o1 ZINC000441475756 387764588 /nfs/dbraw/zinc/76/45/88/387764588.db2.gz ITORKPZFOGWUSX-YPMHNXCESA-N 0 3 236.359 3.384 20 0 BGADHN CCCCOCCN(C)CCc1cccs1 ZINC000441521687 387766958 /nfs/dbraw/zinc/76/69/58/387766958.db2.gz YSVQPEHZPXXREQ-UHFFFAOYSA-N 0 3 241.400 3.039 20 0 BGADHN Cc1cnc(CN(CC(C)C)C2CCCC2)o1 ZINC000441523474 387766403 /nfs/dbraw/zinc/76/64/03/387766403.db2.gz KIEVUJSMLSMIPD-UHFFFAOYSA-N 0 3 236.359 3.384 20 0 BGADHN CCC(C)(C)[C@@H]1CCCN1Cc1cc(C)n(C)n1 ZINC000441650762 387774436 /nfs/dbraw/zinc/77/44/36/387774436.db2.gz VMVFYITUJZXIDX-AWEZNQCLSA-N 0 3 249.402 3.129 20 0 BGADHN CCC(C)(C)[C@H]1CCCN1Cc1cc(C)n(C)n1 ZINC000441650763 387773989 /nfs/dbraw/zinc/77/39/89/387773989.db2.gz VMVFYITUJZXIDX-CQSZACIVSA-N 0 3 249.402 3.129 20 0 BGADHN Cc1cncc(CN2CCC(C)(C)CC2)c1 ZINC000442670110 387819643 /nfs/dbraw/zinc/81/96/43/387819643.db2.gz IOMSMRIRBWJQKA-UHFFFAOYSA-N 0 3 218.344 3.012 20 0 BGADHN CC[C@@]1(C)CCN(Cc2cncc(C)c2)C1 ZINC000442679325 387820936 /nfs/dbraw/zinc/82/09/36/387820936.db2.gz LSAADESOTZOSND-AWEZNQCLSA-N 0 3 218.344 3.012 20 0 BGADHN CC[C@]1(C)CCN(Cc2cncc(C)c2)C1 ZINC000442679327 387821469 /nfs/dbraw/zinc/82/14/69/387821469.db2.gz LSAADESOTZOSND-CQSZACIVSA-N 0 3 218.344 3.012 20 0 BGADHN CCC1(C)CCN(Cc2cncc(C)c2)CC1 ZINC000442680521 387821509 /nfs/dbraw/zinc/82/15/09/387821509.db2.gz QWHVEWFKEFEBJQ-UHFFFAOYSA-N 0 3 232.371 3.402 20 0 BGADHN CCCN(CCC)Cc1cc(C(F)(F)F)n[nH]1 ZINC000442799908 387844478 /nfs/dbraw/zinc/84/44/78/387844478.db2.gz LMRFOYWEKRTQNA-UHFFFAOYSA-N 0 3 249.280 3.051 20 0 BGADHN CO[C@H]1CCCC[C@@H]1N[C@H]1CCCc2occc21 ZINC000442813538 387846451 /nfs/dbraw/zinc/84/64/51/387846451.db2.gz SPJSVLKTOJSKED-YDHLFZDLSA-N 0 3 249.354 3.204 20 0 BGADHN C[C@H](NC1CCC(C(F)F)CC1)c1ccon1 ZINC000442841149 387849489 /nfs/dbraw/zinc/84/94/89/387849489.db2.gz NHVRCOSUTICCFC-IDKOKCKLSA-N 0 3 244.285 3.149 20 0 BGADHN C[C@@H](NC1CCC(C(F)F)CC1)c1ccon1 ZINC000442841150 387849888 /nfs/dbraw/zinc/84/98/88/387849888.db2.gz NHVRCOSUTICCFC-XNWIYYODSA-N 0 3 244.285 3.149 20 0 BGADHN C[C@@H](NCC1(C(F)F)CC1)c1cccc(O)c1 ZINC000442862253 387854031 /nfs/dbraw/zinc/85/40/31/387854031.db2.gz OHFRHQKKWFBBLG-SECBINFHSA-N 0 3 241.281 3.088 20 0 BGADHN C[C@H](NCC1(C(F)F)CC1)c1cccc(O)c1 ZINC000442862254 387853261 /nfs/dbraw/zinc/85/32/61/387853261.db2.gz OHFRHQKKWFBBLG-VIFPVBQESA-N 0 3 241.281 3.088 20 0 BGADHN Cc1cccc(CN2CC(C)(C)OC(C)(C)C2)c1 ZINC000442875169 387855674 /nfs/dbraw/zinc/85/56/74/387855674.db2.gz OJBAFYVLGOWQRT-UHFFFAOYSA-N 0 3 247.382 3.384 20 0 BGADHN CC/C=C/CCN1CC(C)(C)OC(C)(C)C1 ZINC000442875171 387854773 /nfs/dbraw/zinc/85/47/73/387854773.db2.gz OJSGCQUEDIYLAV-BQYQJAHWSA-N 0 3 225.376 3.232 20 0 BGADHN CC/C=C\CCN1CC(C)(C)OC(C)(C)C1 ZINC000442875172 387855069 /nfs/dbraw/zinc/85/50/69/387855069.db2.gz OJSGCQUEDIYLAV-FPLPWBNLSA-N 0 3 225.376 3.232 20 0 BGADHN CCc1ccccc1CN1CCO[C@@](C)(CC)C1 ZINC000442878574 387855650 /nfs/dbraw/zinc/85/56/50/387855650.db2.gz GLWNLEWDRDGZFU-INIZCTEOSA-N 0 3 247.382 3.250 20 0 BGADHN CCc1ccccc1CN1CCO[C@](C)(CC)C1 ZINC000442878575 387854953 /nfs/dbraw/zinc/85/49/53/387854953.db2.gz GLWNLEWDRDGZFU-MRXNPFEDSA-N 0 3 247.382 3.250 20 0 BGADHN Cc1ccccc1CN1CC(C)(C)OC(C)(C)C1 ZINC000442878812 387854909 /nfs/dbraw/zinc/85/49/09/387854909.db2.gz UXBWTJDQGIXJRD-UHFFFAOYSA-N 0 3 247.382 3.384 20 0 BGADHN Cc1ccc(CN2CC(C)(C)OC(C)(C)C2)cc1 ZINC000442879600 387855894 /nfs/dbraw/zinc/85/58/94/387855894.db2.gz JGTWBRIESVKMCU-UHFFFAOYSA-N 0 3 247.382 3.384 20 0 BGADHN CC[C@@]1(C)CN(CCC2CCCC2)CCO1 ZINC000442885859 387856465 /nfs/dbraw/zinc/85/64/65/387856465.db2.gz MMKVAJIBBNLGKC-AWEZNQCLSA-N 0 3 225.376 3.068 20 0 BGADHN CC[C@]1(C)CN(CCC2CCCC2)CCO1 ZINC000442885860 387850218 /nfs/dbraw/zinc/85/02/18/387850218.db2.gz MMKVAJIBBNLGKC-CQSZACIVSA-N 0 3 225.376 3.068 20 0 BGADHN CCC(C)(C)N(C)Cc1cc(C(F)(F)F)n[nH]1 ZINC000442886265 386956473 /nfs/dbraw/zinc/95/64/73/386956473.db2.gz QPFMPJHRZAWBLX-UHFFFAOYSA-N 0 3 249.280 3.049 20 0 BGADHN CC[C@@]1(C)CN(CCCc2ccccc2)CCO1 ZINC000442888640 193001300 /nfs/dbraw/zinc/00/13/00/193001300.db2.gz BENAYZMTQRCCCW-INIZCTEOSA-N 0 3 247.382 3.120 20 0 BGADHN CC[C@]1(C)CN(CCCc2ccccc2)CCO1 ZINC000442888642 193001186 /nfs/dbraw/zinc/00/11/86/193001186.db2.gz BENAYZMTQRCCCW-MRXNPFEDSA-N 0 3 247.382 3.120 20 0 BGADHN CC[C@]1(C)CN(C[C@@H](C)c2ccccc2)CCO1 ZINC000442888662 386988962 /nfs/dbraw/zinc/98/89/62/386988962.db2.gz GYQBMXJVFNRLEF-GDBMZVCRSA-N 0 3 247.382 3.291 20 0 BGADHN CC[C@]1(C)CN(C[C@H](C)c2ccccc2)CCO1 ZINC000442888663 386989076 /nfs/dbraw/zinc/98/90/76/386989076.db2.gz GYQBMXJVFNRLEF-GOEBONIOSA-N 0 3 247.382 3.291 20 0 BGADHN CC[C@@]1(C)CN(C[C@H](C)c2ccccc2)CCO1 ZINC000442888664 386988944 /nfs/dbraw/zinc/98/89/44/386988944.db2.gz GYQBMXJVFNRLEF-HOCLYGCPSA-N 0 3 247.382 3.291 20 0 BGADHN CC[C@@]1(C)CN(C[C@@H](C)c2ccccc2)CCO1 ZINC000442888665 386989164 /nfs/dbraw/zinc/98/91/64/386989164.db2.gz GYQBMXJVFNRLEF-ZBFHGGJFSA-N 0 3 247.382 3.291 20 0 BGADHN CC[C@@]1(C)CN(Cc2c(C)cccc2C)CCO1 ZINC000442889476 193000257 /nfs/dbraw/zinc/00/02/57/193000257.db2.gz KMQPTYOBBMQJGW-INIZCTEOSA-N 0 3 247.382 3.304 20 0 BGADHN CC[C@]1(C)CN(Cc2c(C)cccc2C)CCO1 ZINC000442889478 193001566 /nfs/dbraw/zinc/00/15/66/193001566.db2.gz KMQPTYOBBMQJGW-MRXNPFEDSA-N 0 3 247.382 3.304 20 0 BGADHN CC1(C)CN(CCc2ccccc2)CC(C)(C)O1 ZINC000442890012 193000411 /nfs/dbraw/zinc/00/04/11/193000411.db2.gz MOTHLEPQAOIRFX-UHFFFAOYSA-N 0 3 247.382 3.119 20 0 BGADHN CC[C@@]1(C)CN(CCc2ccc(C)cc2)CCO1 ZINC000442890089 193001284 /nfs/dbraw/zinc/00/12/84/193001284.db2.gz MUZVPMOZTUZBAZ-INIZCTEOSA-N 0 3 247.382 3.038 20 0 BGADHN CC[C@]1(C)CN(CCc2ccc(C)cc2)CCO1 ZINC000442890091 193000595 /nfs/dbraw/zinc/00/05/95/193000595.db2.gz MUZVPMOZTUZBAZ-MRXNPFEDSA-N 0 3 247.382 3.038 20 0 BGADHN Cc1cncc(CNC(C)(C)c2cccs2)c1 ZINC000442893418 193000154 /nfs/dbraw/zinc/00/01/54/193000154.db2.gz GVPDWWPARAXOII-UHFFFAOYSA-N 0 3 246.379 3.476 20 0 BGADHN Cc1cncc(CN2CC[C@]3(CC[C@H](C)C3)C2)c1 ZINC000442895467 193003179 /nfs/dbraw/zinc/00/31/79/193003179.db2.gz DXBIJIJMKHGTDX-BBRMVZONSA-N 0 3 244.382 3.402 20 0 BGADHN Cc1cncc(CN2CC[C@]3(CC[C@@H](C)C3)C2)c1 ZINC000442895468 193001890 /nfs/dbraw/zinc/00/18/90/193001890.db2.gz DXBIJIJMKHGTDX-CJNGLKHVSA-N 0 3 244.382 3.402 20 0 BGADHN Cc1cncc(CN2CC[C@@]3(CC[C@@H](C)C3)C2)c1 ZINC000442895469 193002404 /nfs/dbraw/zinc/00/24/04/193002404.db2.gz DXBIJIJMKHGTDX-CZUORRHYSA-N 0 3 244.382 3.402 20 0 BGADHN Cc1cncc(CN2CC[C@@]3(CC[C@H](C)C3)C2)c1 ZINC000442895470 387008377 /nfs/dbraw/zinc/00/83/77/387008377.db2.gz DXBIJIJMKHGTDX-XJKSGUPXSA-N 0 3 244.382 3.402 20 0 BGADHN CC[C@@]1(C)CN(Cc2cc(C)ccc2C)CCO1 ZINC000442895854 193002889 /nfs/dbraw/zinc/00/28/89/193002889.db2.gz VBHPYVMXVNROOH-INIZCTEOSA-N 0 3 247.382 3.304 20 0 BGADHN CC[C@]1(C)CN(Cc2cc(C)ccc2C)CCO1 ZINC000442895857 193003005 /nfs/dbraw/zinc/00/30/05/193003005.db2.gz VBHPYVMXVNROOH-MRXNPFEDSA-N 0 3 247.382 3.304 20 0 BGADHN Cc1cncc(CN2CC[C@H](C)C3(CCC3)C2)c1 ZINC000442896082 387010889 /nfs/dbraw/zinc/01/08/89/387010889.db2.gz GDVNZWQTMNXYKQ-AWEZNQCLSA-N 0 3 244.382 3.402 20 0 BGADHN Cc1cncc(CN2CC[C@@H](C)C3(CCC3)C2)c1 ZINC000442896083 387011414 /nfs/dbraw/zinc/01/14/14/387011414.db2.gz GDVNZWQTMNXYKQ-CQSZACIVSA-N 0 3 244.382 3.402 20 0 BGADHN Cc1cncc(CN(C)C[C@H]2CC=CCC2)c1 ZINC000442896087 193002319 /nfs/dbraw/zinc/00/23/19/193002319.db2.gz GESRGQXMEHXZOS-AWEZNQCLSA-N 0 3 230.355 3.178 20 0 BGADHN Cc1cncc(CN(C)C[C@@H]2CC=CCC2)c1 ZINC000442896088 193002445 /nfs/dbraw/zinc/00/24/45/193002445.db2.gz GESRGQXMEHXZOS-CQSZACIVSA-N 0 3 230.355 3.178 20 0 BGADHN Cc1cncc(CN2C[C@H](C)CC(C)(C)C2)c1 ZINC000442899047 387017514 /nfs/dbraw/zinc/01/75/14/387017514.db2.gz KBXDADJFOMSDNX-CYBMUJFWSA-N 0 3 232.371 3.258 20 0 BGADHN Cc1cncc(CN2C[C@@H](C)CC(C)(C)C2)c1 ZINC000442899048 387017054 /nfs/dbraw/zinc/01/70/54/387017054.db2.gz KBXDADJFOMSDNX-ZDUSSCGKSA-N 0 3 232.371 3.258 20 0 BGADHN Cc1cncc(CN2CC[C@@H](C)C(C)(C)C2)c1 ZINC000442901921 193002552 /nfs/dbraw/zinc/00/25/52/193002552.db2.gz PIJAJWFFKTUVOC-CYBMUJFWSA-N 0 3 232.371 3.258 20 0 BGADHN Cc1cncc(CN2CC[C@H](C)C(C)(C)C2)c1 ZINC000442901923 193001855 /nfs/dbraw/zinc/00/18/55/193001855.db2.gz PIJAJWFFKTUVOC-ZDUSSCGKSA-N 0 3 232.371 3.258 20 0 BGADHN CCN(CCC1CC1)Cc1cncc(C)c1 ZINC000442906746 193003542 /nfs/dbraw/zinc/00/35/42/193003542.db2.gz XXXJOMMFNQTLDQ-UHFFFAOYSA-N 0 3 218.344 3.012 20 0 BGADHN Cc1ncc(CNCC[C@@H](C)CC(C)(C)C)cn1 ZINC000443011841 193010146 /nfs/dbraw/zinc/01/01/46/193010146.db2.gz HTFCKWPGQVQTNS-GFCCVEGCSA-N 0 3 249.402 3.337 20 0 BGADHN Cc1ncc(CNCC[C@H](C)CC(C)(C)C)cn1 ZINC000443011844 193010113 /nfs/dbraw/zinc/01/01/13/193010113.db2.gz HTFCKWPGQVQTNS-LBPRGKRZSA-N 0 3 249.402 3.337 20 0 BGADHN CCC[C@@H](C)CN(C)Cc1cnc(C(C)C)nc1 ZINC000443065766 193012312 /nfs/dbraw/zinc/01/23/12/193012312.db2.gz INSXIFDQLQHFLU-CYBMUJFWSA-N 0 3 249.402 3.468 20 0 BGADHN CCC[C@H](C)CN(C)Cc1cnc(C(C)C)nc1 ZINC000443065768 193012626 /nfs/dbraw/zinc/01/26/26/193012626.db2.gz INSXIFDQLQHFLU-ZDUSSCGKSA-N 0 3 249.402 3.468 20 0 BGADHN CC[C@@H](N[C@@H]1CCCC(C)(C)C1)c1ccn(C)n1 ZINC000443077860 193012233 /nfs/dbraw/zinc/01/22/33/193012233.db2.gz KMTPRKACCWBKNF-CHWSQXEVSA-N 0 3 249.402 3.430 20 0 BGADHN CC[C@H](N[C@@H]1CCCC(C)(C)C1)c1ccn(C)n1 ZINC000443077861 193012883 /nfs/dbraw/zinc/01/28/83/193012883.db2.gz KMTPRKACCWBKNF-OLZOCXBDSA-N 0 3 249.402 3.430 20 0 BGADHN CC[C@@H](N[C@H]1CCCC(C)(C)C1)c1ccn(C)n1 ZINC000443077862 193012416 /nfs/dbraw/zinc/01/24/16/193012416.db2.gz KMTPRKACCWBKNF-QWHCGFSZSA-N 0 3 249.402 3.430 20 0 BGADHN CC[C@H](N[C@H]1CCCC(C)(C)C1)c1ccn(C)n1 ZINC000443077863 193012210 /nfs/dbraw/zinc/01/22/10/193012210.db2.gz KMTPRKACCWBKNF-STQMWFEESA-N 0 3 249.402 3.430 20 0 BGADHN CC[C@H](N[C@H]1CCC[C@H](C)CC1)c1ccn(C)n1 ZINC000443212401 193015167 /nfs/dbraw/zinc/01/51/67/193015167.db2.gz HKCWZYGNARLSEN-IHRRRGAJSA-N 0 3 249.402 3.430 20 0 BGADHN CC[C@H](N[C@@H]1CCC[C@@H](C)CC1)c1ccn(C)n1 ZINC000443212403 193015126 /nfs/dbraw/zinc/01/51/26/193015126.db2.gz HKCWZYGNARLSEN-MCIONIFRSA-N 0 3 249.402 3.430 20 0 BGADHN CC[C@H](N[C@@H]1CCC[C@H](C)CC1)c1ccn(C)n1 ZINC000443212405 193014533 /nfs/dbraw/zinc/01/45/33/193014533.db2.gz HKCWZYGNARLSEN-MJBXVCDLSA-N 0 3 249.402 3.430 20 0 BGADHN CC[C@H](N[C@H]1CCC[C@@H](C)CC1)c1ccn(C)n1 ZINC000443212407 193014422 /nfs/dbraw/zinc/01/44/22/193014422.db2.gz HKCWZYGNARLSEN-RDBSUJKOSA-N 0 3 249.402 3.430 20 0 BGADHN CO[C@H](C)CN[C@@H](c1ccc(C)o1)C1CCC1 ZINC000443217315 193015827 /nfs/dbraw/zinc/01/58/27/193015827.db2.gz PIOLFGAIGZMODP-BXUZGUMPSA-N 0 3 237.343 3.054 20 0 BGADHN CO[C@@H](C)CN[C@H](c1ccc(C)o1)C1CCC1 ZINC000443217317 193015519 /nfs/dbraw/zinc/01/55/19/193015519.db2.gz PIOLFGAIGZMODP-FZMZJTMJSA-N 0 3 237.343 3.054 20 0 BGADHN CO[C@H](C)CN[C@H](c1ccc(C)o1)C1CCC1 ZINC000443217318 193016134 /nfs/dbraw/zinc/01/61/34/193016134.db2.gz PIOLFGAIGZMODP-RISCZKNCSA-N 0 3 237.343 3.054 20 0 BGADHN CO[C@@H](C)CN[C@@H](c1ccc(C)o1)C1CCC1 ZINC000443217319 193016018 /nfs/dbraw/zinc/01/60/18/193016018.db2.gz PIOLFGAIGZMODP-SMDDNHRTSA-N 0 3 237.343 3.054 20 0 BGADHN CC[C@@H]1CN(C[C@H]2C(C)=CCC[C@H]2C)CCO1 ZINC000443415609 193021066 /nfs/dbraw/zinc/02/10/66/193021066.db2.gz QTVBRGMCVXEZGC-KFWWJZLASA-N 0 3 237.387 3.090 20 0 BGADHN CC[C@@H]1CN(C[C@@H]2C(C)=CCC[C@H]2C)CCO1 ZINC000443415612 193020686 /nfs/dbraw/zinc/02/06/86/193020686.db2.gz QTVBRGMCVXEZGC-RBSFLKMASA-N 0 3 237.387 3.090 20 0 BGADHN CC[C@@H]1CN(C[C@@H]2C(C)=CCC[C@@H]2C)CCO1 ZINC000443415614 193020252 /nfs/dbraw/zinc/02/02/52/193020252.db2.gz QTVBRGMCVXEZGC-RRFJBIMHSA-N 0 3 237.387 3.090 20 0 BGADHN CC[C@@H]1CN(C[C@H]2C(C)=CCC[C@@H]2C)CCO1 ZINC000443415615 193021303 /nfs/dbraw/zinc/02/13/03/193021303.db2.gz QTVBRGMCVXEZGC-ZNMIVQPWSA-N 0 3 237.387 3.090 20 0 BGADHN FC(F)(F)CCCCN1CCC12CCC2 ZINC000443614714 193026051 /nfs/dbraw/zinc/02/60/51/193026051.db2.gz HGEXJRKGXWZGKE-UHFFFAOYSA-N 0 3 221.266 3.347 20 0 BGADHN CC(C)CSCCCN1CCSC[C@H]1C ZINC000443618442 193026269 /nfs/dbraw/zinc/02/62/69/193026269.db2.gz NIYQUBKFYFHGEU-GFCCVEGCSA-N 0 3 247.473 3.203 20 0 BGADHN CC(C)CSCCCN1CCSC[C@@H]1C ZINC000443618443 193026424 /nfs/dbraw/zinc/02/64/24/193026424.db2.gz NIYQUBKFYFHGEU-LBPRGKRZSA-N 0 3 247.473 3.203 20 0 BGADHN C[C@@H]1CSCCN1CCCCC(F)(F)F ZINC000443619322 193026948 /nfs/dbraw/zinc/02/69/48/193026948.db2.gz PPGLNUQNWKHXGI-SECBINFHSA-N 0 3 241.322 3.156 20 0 BGADHN C[C@H]1CSCCN1CCCCC(F)(F)F ZINC000443619326 193025904 /nfs/dbraw/zinc/02/59/04/193025904.db2.gz PPGLNUQNWKHXGI-VIFPVBQESA-N 0 3 241.322 3.156 20 0 BGADHN Cc1nc(CN2CCC[C@H](C)CC2)c(C)s1 ZINC000443619935 193026844 /nfs/dbraw/zinc/02/68/44/193026844.db2.gz DDDQAKRRDPRHMD-JTQLQIEISA-N 0 3 238.400 3.382 20 0 BGADHN Cc1nc(CN2CCC[C@@H](C)CC2)c(C)s1 ZINC000443619936 193026752 /nfs/dbraw/zinc/02/67/52/193026752.db2.gz DDDQAKRRDPRHMD-SNVBAGLBSA-N 0 3 238.400 3.382 20 0 BGADHN Cc1nc(CN(C)[C@H](C)C(C)C)c(C)s1 ZINC000443627724 193026280 /nfs/dbraw/zinc/02/62/80/193026280.db2.gz RAMYDVMUVTWIIN-SECBINFHSA-N 0 3 226.389 3.236 20 0 BGADHN Cc1nc(CN(C)[C@@H](C)C(C)C)c(C)s1 ZINC000443627726 193025609 /nfs/dbraw/zinc/02/56/09/193025609.db2.gz RAMYDVMUVTWIIN-VIFPVBQESA-N 0 3 226.389 3.236 20 0 BGADHN CC(C)CSCCCN1CCS[C@H](C)C1 ZINC000443628543 193026460 /nfs/dbraw/zinc/02/64/60/193026460.db2.gz FMQXVZNIPBRZMO-GFCCVEGCSA-N 0 3 247.473 3.203 20 0 BGADHN CC(C)CSCCCN(C)Cc1ccoc1 ZINC000443629732 193026817 /nfs/dbraw/zinc/02/68/17/193026817.db2.gz ICSPGEVEUTWRSL-UHFFFAOYSA-N 0 3 241.400 3.491 20 0 BGADHN Cc1nc(CN2CCC[C@@H]2C(C)C)c(C)s1 ZINC000443630435 193026341 /nfs/dbraw/zinc/02/63/41/193026341.db2.gz PFDURVVZGJZXCT-CYBMUJFWSA-N 0 3 238.400 3.380 20 0 BGADHN Cc1nc(CN2CCC[C@H]2C(C)C)c(C)s1 ZINC000443630436 193026032 /nfs/dbraw/zinc/02/60/32/193026032.db2.gz PFDURVVZGJZXCT-ZDUSSCGKSA-N 0 3 238.400 3.380 20 0 BGADHN CN(CCCCC(F)(F)F)Cc1ccoc1 ZINC000443635509 193027262 /nfs/dbraw/zinc/02/72/62/193027262.db2.gz XIFMUXUDUJLZIL-UHFFFAOYSA-N 0 3 235.249 3.444 20 0 BGADHN CCc1cc(NC2CCC2)c2ccccc2n1 ZINC000443681657 193027344 /nfs/dbraw/zinc/02/73/44/193027344.db2.gz MRBPCQMALYRSBH-UHFFFAOYSA-N 0 3 226.323 3.184 20 0 BGADHN CC[C@@]1(C)CN(Cc2cccc(C)c2C)CCO1 ZINC000443849258 193030657 /nfs/dbraw/zinc/03/06/57/193030657.db2.gz CDKVHQASBJCUKV-INIZCTEOSA-N 0 3 247.382 3.304 20 0 BGADHN CC[C@]1(C)CN(Cc2cccc(C)c2C)CCO1 ZINC000443849260 193030789 /nfs/dbraw/zinc/03/07/89/193030789.db2.gz CDKVHQASBJCUKV-MRXNPFEDSA-N 0 3 247.382 3.304 20 0 BGADHN CC1=CCC[C@H](C)[C@H]1CN[C@@H](C)c1ccon1 ZINC000443861657 193031006 /nfs/dbraw/zinc/03/10/06/193031006.db2.gz LIQNTUYCKRUUJT-AVGNSLFASA-N 0 3 234.343 3.318 20 0 BGADHN CC1=CCC[C@H](C)[C@@H]1CN[C@@H](C)c1ccon1 ZINC000443861658 193030641 /nfs/dbraw/zinc/03/06/41/193030641.db2.gz LIQNTUYCKRUUJT-RWMBFGLXSA-N 0 3 234.343 3.318 20 0 BGADHN CC1=CCC[C@H](C)[C@H]1CN[C@H](C)c1ccon1 ZINC000443861659 193030394 /nfs/dbraw/zinc/03/03/94/193030394.db2.gz LIQNTUYCKRUUJT-XQQFMLRXSA-N 0 3 234.343 3.318 20 0 BGADHN CC1=CCC[C@H](C)[C@@H]1CN[C@H](C)c1ccon1 ZINC000443861660 193029937 /nfs/dbraw/zinc/02/99/37/193029937.db2.gz LIQNTUYCKRUUJT-YNEHKIRRSA-N 0 3 234.343 3.318 20 0 BGADHN CC[C@@]1(C)CN(Cc2ccc(C)cc2C)CCO1 ZINC000443863469 193031149 /nfs/dbraw/zinc/03/11/49/193031149.db2.gz RBVNJGVWYGIHAJ-INIZCTEOSA-N 0 3 247.382 3.304 20 0 BGADHN CC[C@]1(C)CN(Cc2ccc(C)cc2C)CCO1 ZINC000443863471 193030757 /nfs/dbraw/zinc/03/07/57/193030757.db2.gz RBVNJGVWYGIHAJ-MRXNPFEDSA-N 0 3 247.382 3.304 20 0 BGADHN Cc1ccc(CNCc2ccn(C)c2)cc1Cl ZINC000443983882 387879482 /nfs/dbraw/zinc/87/94/82/387879482.db2.gz GKWQXLOHBMEPMN-UHFFFAOYSA-N 0 3 248.757 3.277 20 0 BGADHN C[C@@H]1C[C@@H](CCNCc2cc[nH]n2)CC(C)(C)C1 ZINC000443986276 191110814 /nfs/dbraw/zinc/11/08/14/191110814.db2.gz IGWWHBKLLSRCOK-CHWSQXEVSA-N 0 3 249.402 3.352 20 0 BGADHN C[C@@H]1C[C@H](CCNCc2cc[nH]n2)CC(C)(C)C1 ZINC000443986277 191110960 /nfs/dbraw/zinc/11/09/60/191110960.db2.gz IGWWHBKLLSRCOK-OLZOCXBDSA-N 0 3 249.402 3.352 20 0 BGADHN C[C@H]1C[C@@H](CCNCc2cc[nH]n2)CC(C)(C)C1 ZINC000443986278 191111064 /nfs/dbraw/zinc/11/10/64/191111064.db2.gz IGWWHBKLLSRCOK-QWHCGFSZSA-N 0 3 249.402 3.352 20 0 BGADHN C[C@H]1C[C@H](CCNCc2cc[nH]n2)CC(C)(C)C1 ZINC000443986281 191110755 /nfs/dbraw/zinc/11/07/55/191110755.db2.gz IGWWHBKLLSRCOK-STQMWFEESA-N 0 3 249.402 3.352 20 0 BGADHN C[C@@H]1C[C@@H](CCNCc2ncc[nH]2)CC(C)(C)C1 ZINC000443992124 387880899 /nfs/dbraw/zinc/88/08/99/387880899.db2.gz WOEKPXVEBZNOLQ-CHWSQXEVSA-N 0 3 249.402 3.352 20 0 BGADHN C[C@@H]1C[C@H](CCNCc2ncc[nH]2)CC(C)(C)C1 ZINC000443992125 387881100 /nfs/dbraw/zinc/88/11/00/387881100.db2.gz WOEKPXVEBZNOLQ-OLZOCXBDSA-N 0 3 249.402 3.352 20 0 BGADHN C[C@H]1C[C@@H](CCNCc2ncc[nH]2)CC(C)(C)C1 ZINC000443992126 387882568 /nfs/dbraw/zinc/88/25/68/387882568.db2.gz WOEKPXVEBZNOLQ-QWHCGFSZSA-N 0 3 249.402 3.352 20 0 BGADHN C[C@H]1C[C@H](CCNCc2ncc[nH]2)CC(C)(C)C1 ZINC000443992127 387881372 /nfs/dbraw/zinc/88/13/72/387881372.db2.gz WOEKPXVEBZNOLQ-STQMWFEESA-N 0 3 249.402 3.352 20 0 BGADHN CC1(CNCc2ccc3c(n2)CCCC3)CCC1 ZINC000444013671 537863487 /nfs/dbraw/zinc/86/34/87/537863487.db2.gz VZCKTHQUOKLCHP-UHFFFAOYSA-N 0 3 244.382 3.240 20 0 BGADHN Cc1cccc(CN2CCC(C(C)C)CC2)n1 ZINC000444202269 193041778 /nfs/dbraw/zinc/04/17/78/193041778.db2.gz CPCIHODBPIHPSP-UHFFFAOYSA-N 0 3 232.371 3.258 20 0 BGADHN CCc1ccccc1CCN1CCSC[C@H]1C ZINC000444647092 387898370 /nfs/dbraw/zinc/89/83/70/387898370.db2.gz GIOODAXJFNYVBO-CYBMUJFWSA-N 0 3 249.423 3.229 20 0 BGADHN CCc1ccccc1CCN1CCSC[C@@H]1C ZINC000444647093 387899095 /nfs/dbraw/zinc/89/90/95/387899095.db2.gz GIOODAXJFNYVBO-ZDUSSCGKSA-N 0 3 249.423 3.229 20 0 BGADHN CCN(Cc1ncc(C)cn1)[C@H]1CCCC[C@@H]1C ZINC000444658934 387901294 /nfs/dbraw/zinc/90/12/94/387901294.db2.gz CFTHIDCUSBOSCH-KBPBESRZSA-N 0 3 247.386 3.186 20 0 BGADHN CCN(Cc1ncc(C)cn1)[C@H]1CCCC[C@H]1C ZINC000444658939 387900271 /nfs/dbraw/zinc/90/02/71/387900271.db2.gz CFTHIDCUSBOSCH-KGLIPLIRSA-N 0 3 247.386 3.186 20 0 BGADHN CCN(Cc1ncc(C)cn1)[C@@H]1CCCC[C@@H]1C ZINC000444658940 387900808 /nfs/dbraw/zinc/90/08/08/387900808.db2.gz CFTHIDCUSBOSCH-UONOGXRCSA-N 0 3 247.386 3.186 20 0 BGADHN CCN(Cc1ncc(C)cn1)[C@@H]1CCCC[C@H]1C ZINC000444658941 387901349 /nfs/dbraw/zinc/90/13/49/387901349.db2.gz CFTHIDCUSBOSCH-ZIAGYGMSSA-N 0 3 247.386 3.186 20 0 BGADHN CC[C@H]1CCCC[C@@H]1N(C)Cc1nccc(C)n1 ZINC000444666847 387903623 /nfs/dbraw/zinc/90/36/23/387903623.db2.gz SRICIGPEXOSMGD-KBPBESRZSA-N 0 3 247.386 3.186 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1N(C)Cc1nccc(C)n1 ZINC000444666849 387904018 /nfs/dbraw/zinc/90/40/18/387904018.db2.gz SRICIGPEXOSMGD-KGLIPLIRSA-N 0 3 247.386 3.186 20 0 BGADHN CC[C@H]1CCCC[C@H]1N(C)Cc1nccc(C)n1 ZINC000444666851 387904182 /nfs/dbraw/zinc/90/41/82/387904182.db2.gz SRICIGPEXOSMGD-UONOGXRCSA-N 0 3 247.386 3.186 20 0 BGADHN CC[C@@H]1CCCC[C@H]1N(C)Cc1nccc(C)n1 ZINC000444666853 387904119 /nfs/dbraw/zinc/90/41/19/387904119.db2.gz SRICIGPEXOSMGD-ZIAGYGMSSA-N 0 3 247.386 3.186 20 0 BGADHN CCN(Cc1nccc(C)n1)[C@@H]1CCCC[C@@H]1C ZINC000444667231 387904280 /nfs/dbraw/zinc/90/42/80/387904280.db2.gz SNLFXJDZHQDILU-GXTWGEPZSA-N 0 3 247.386 3.186 20 0 BGADHN CCN(Cc1nccc(C)n1)[C@H]1CCCC[C@@H]1C ZINC000444667232 387902526 /nfs/dbraw/zinc/90/25/26/387902526.db2.gz SNLFXJDZHQDILU-JSGCOSHPSA-N 0 3 247.386 3.186 20 0 BGADHN CCN(Cc1nccc(C)n1)[C@H]1CCCC[C@H]1C ZINC000444667233 387904432 /nfs/dbraw/zinc/90/44/32/387904432.db2.gz SNLFXJDZHQDILU-OCCSQVGLSA-N 0 3 247.386 3.186 20 0 BGADHN CCN(Cc1nccc(C)n1)[C@@H]1CCCC[C@H]1C ZINC000444667234 387902674 /nfs/dbraw/zinc/90/26/74/387902674.db2.gz SNLFXJDZHQDILU-TZMCWYRMSA-N 0 3 247.386 3.186 20 0 BGADHN CC[C@H]1CCCC[C@@H]1N(C)Cc1ncc(C)cn1 ZINC000444667837 387903540 /nfs/dbraw/zinc/90/35/40/387903540.db2.gz UVKWYDSILQWLCQ-KBPBESRZSA-N 0 3 247.386 3.186 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1N(C)Cc1ncc(C)cn1 ZINC000444667839 201618378 /nfs/dbraw/zinc/61/83/78/201618378.db2.gz UVKWYDSILQWLCQ-KGLIPLIRSA-N 0 3 247.386 3.186 20 0 BGADHN CC[C@H]1CCCC[C@H]1N(C)Cc1ncc(C)cn1 ZINC000444667840 387903916 /nfs/dbraw/zinc/90/39/16/387903916.db2.gz UVKWYDSILQWLCQ-UONOGXRCSA-N 0 3 247.386 3.186 20 0 BGADHN CC[C@@H]1CCCC[C@H]1N(C)Cc1ncc(C)cn1 ZINC000444667841 387904159 /nfs/dbraw/zinc/90/41/59/387904159.db2.gz UVKWYDSILQWLCQ-ZIAGYGMSSA-N 0 3 247.386 3.186 20 0 BGADHN FC(F)(F)CCN[C@@H](c1cccnc1)C1CC1 ZINC000444670890 387905998 /nfs/dbraw/zinc/90/59/98/387905998.db2.gz BIHIXMYOKUPYIG-LLVKDONJSA-N 0 3 244.260 3.075 20 0 BGADHN FC(F)(F)CCN[C@H](c1cccnc1)C1CC1 ZINC000444670891 387903958 /nfs/dbraw/zinc/90/39/58/387903958.db2.gz BIHIXMYOKUPYIG-NSHDSACASA-N 0 3 244.260 3.075 20 0 BGADHN CCc1ccccc1CCN1CC[C@](C)(F)C1 ZINC000444677159 387904864 /nfs/dbraw/zinc/90/48/64/387904864.db2.gz VVVVKSCYQAFGCH-HNNXBMFYSA-N 0 3 235.346 3.225 20 0 BGADHN CCc1ccccc1CCN1CC[C@@](C)(F)C1 ZINC000444677160 387906220 /nfs/dbraw/zinc/90/62/20/387906220.db2.gz VVVVKSCYQAFGCH-OAHLLOKOSA-N 0 3 235.346 3.225 20 0 BGADHN CC[C@H]1CCCC[C@H]1N(C)Cc1cc(C)n(C)n1 ZINC000444677511 387905940 /nfs/dbraw/zinc/90/59/40/387905940.db2.gz QCXIBBDBKFWIRV-DZGCQCFKSA-N 0 3 249.402 3.129 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1N(C)Cc1cc(C)n(C)n1 ZINC000444677513 387905065 /nfs/dbraw/zinc/90/50/65/387905065.db2.gz QCXIBBDBKFWIRV-HIFRSBDPSA-N 0 3 249.402 3.129 20 0 BGADHN CC[C@@H]1CCCC[C@H]1N(C)Cc1cc(C)n(C)n1 ZINC000444677514 387905534 /nfs/dbraw/zinc/90/55/34/387905534.db2.gz QCXIBBDBKFWIRV-UKRRQHHQSA-N 0 3 249.402 3.129 20 0 BGADHN CC[C@H]1CCCC[C@@H]1N(C)Cc1cc(C)n(C)n1 ZINC000444677515 387906513 /nfs/dbraw/zinc/90/65/13/387906513.db2.gz QCXIBBDBKFWIRV-ZFWWWQNUSA-N 0 3 249.402 3.129 20 0 BGADHN CCSCCN(C)Cc1cc(C)cc(C)c1 ZINC000444691990 387906483 /nfs/dbraw/zinc/90/64/83/387906483.db2.gz KRVAOFKVWPZEHD-UHFFFAOYSA-N 0 3 237.412 3.488 20 0 BGADHN CCSCCN1CC[C@H](CC(F)(F)F)C1 ZINC000444692753 387910142 /nfs/dbraw/zinc/91/01/42/387910142.db2.gz NCKQGMWKJQPTIZ-SECBINFHSA-N 0 3 241.322 3.014 20 0 BGADHN CCSCCN1CC[C@@H](CC(F)(F)F)C1 ZINC000444692754 387910937 /nfs/dbraw/zinc/91/09/37/387910937.db2.gz NCKQGMWKJQPTIZ-VIFPVBQESA-N 0 3 241.322 3.014 20 0 BGADHN Cc1cc(C)cc(CN(C)C[C@H]2CC[C@@H](C)O2)c1 ZINC000444703444 387912936 /nfs/dbraw/zinc/91/29/36/387912936.db2.gz KTLKJFYFXTXGRV-GDBMZVCRSA-N 0 3 247.382 3.303 20 0 BGADHN Cc1cc(C)cc(CN(C)C[C@H]2CC[C@H](C)O2)c1 ZINC000444703445 387913503 /nfs/dbraw/zinc/91/35/03/387913503.db2.gz KTLKJFYFXTXGRV-GOEBONIOSA-N 0 3 247.382 3.303 20 0 BGADHN Cc1cc(C)cc(CN(C)C[C@@H]2CC[C@H](C)O2)c1 ZINC000444703446 387912583 /nfs/dbraw/zinc/91/25/83/387912583.db2.gz KTLKJFYFXTXGRV-HOCLYGCPSA-N 0 3 247.382 3.303 20 0 BGADHN Cc1cc(C)cc(CN(C)C[C@@H]2CC[C@@H](C)O2)c1 ZINC000444703447 387913851 /nfs/dbraw/zinc/91/38/51/387913851.db2.gz KTLKJFYFXTXGRV-ZBFHGGJFSA-N 0 3 247.382 3.303 20 0 BGADHN FC(F)(F)CCN1CC[C@H](CC(F)(F)F)C1 ZINC000444709186 387915382 /nfs/dbraw/zinc/91/53/82/387915382.db2.gz SDCJUPYKPTVUDK-SSDOTTSWSA-N 0 3 249.198 3.213 20 0 BGADHN FC(F)(F)CCN1CC[C@@H](CC(F)(F)F)C1 ZINC000444709187 387915428 /nfs/dbraw/zinc/91/54/28/387915428.db2.gz SDCJUPYKPTVUDK-ZETCQYMHSA-N 0 3 249.198 3.213 20 0 BGADHN CCSCCN(C)Cc1ccc(F)c(C)c1 ZINC000444745037 387919372 /nfs/dbraw/zinc/91/93/72/387919372.db2.gz SBIUGKBKZWFCCR-UHFFFAOYSA-N 0 3 241.375 3.319 20 0 BGADHN Cc1cnc(CN2CCC[C@@H](C(C)C)C2)s1 ZINC000444764895 387924561 /nfs/dbraw/zinc/92/45/61/387924561.db2.gz CPAANGSJCFAGKG-GFCCVEGCSA-N 0 3 238.400 3.320 20 0 BGADHN Cc1cnc(CN2CCC[C@H](C(C)C)C2)s1 ZINC000444764901 387925619 /nfs/dbraw/zinc/92/56/19/387925619.db2.gz CPAANGSJCFAGKG-LBPRGKRZSA-N 0 3 238.400 3.320 20 0 BGADHN CC(C)N(Cc1ccn(C(C)C)n1)CC1CCC1 ZINC000444769706 387925137 /nfs/dbraw/zinc/92/51/37/387925137.db2.gz JIOIHGSSBGRYTA-UHFFFAOYSA-N 0 3 249.402 3.475 20 0 BGADHN Fc1ccc(CN2CCCC23CCC3)cc1F ZINC000444774301 387927391 /nfs/dbraw/zinc/92/73/91/387927391.db2.gz IIAJXTGMCZXOMV-UHFFFAOYSA-N 0 3 237.293 3.483 20 0 BGADHN Fc1ccccc1CN1CCCC12CCC2 ZINC000444776445 387930443 /nfs/dbraw/zinc/93/04/43/387930443.db2.gz CAFMRYUJDHPEPK-UHFFFAOYSA-N 0 3 219.303 3.344 20 0 BGADHN Fc1ccccc1OCCN1CCCC12CCC2 ZINC000444778943 387930585 /nfs/dbraw/zinc/93/05/85/387930585.db2.gz KBVHZFSBNOAGTM-UHFFFAOYSA-N 0 3 249.329 3.223 20 0 BGADHN Fc1ccc(F)c(CN2CCCC23CCC3)c1 ZINC000444779785 387930126 /nfs/dbraw/zinc/93/01/26/387930126.db2.gz LQZXLFKXTNMUHI-UHFFFAOYSA-N 0 3 237.293 3.483 20 0 BGADHN Fc1ccc(CN2CCCC23CCC3)c(F)c1 ZINC000444784070 387932189 /nfs/dbraw/zinc/93/21/89/387932189.db2.gz MSTOSNTYUSPXHC-UHFFFAOYSA-N 0 3 237.293 3.483 20 0 BGADHN Fc1cc(F)cc(CN2CCCC23CCC3)c1 ZINC000444784725 387933389 /nfs/dbraw/zinc/93/33/89/387933389.db2.gz WLIDRKSWNSHCFH-UHFFFAOYSA-N 0 3 237.293 3.483 20 0 BGADHN Fc1cccc(CN2CCCC23CCC3)c1F ZINC000444790019 387933517 /nfs/dbraw/zinc/93/35/17/387933517.db2.gz GWCSJEOLCWFCAK-UHFFFAOYSA-N 0 3 237.293 3.483 20 0 BGADHN CC(C)C[C@@H](C)N1Cc2ccccc2C1 ZINC000445259841 398197413 /nfs/dbraw/zinc/19/74/13/398197413.db2.gz FCYZCDKZUDEHHE-GFCCVEGCSA-N 0 3 203.329 3.437 20 0 BGADHN CC(C)C[C@H](C)N1Cc2ccccc2C1 ZINC000445259843 398197516 /nfs/dbraw/zinc/19/75/16/398197516.db2.gz FCYZCDKZUDEHHE-LBPRGKRZSA-N 0 3 203.329 3.437 20 0 BGADHN C[C@@H](O)CCN(C)[C@@H](C)c1cc2ccccc2o1 ZINC000445319052 387839124 /nfs/dbraw/zinc/83/91/24/387839124.db2.gz KQLUHBKVPCHQDR-NEPJUHHUSA-N 0 3 247.338 3.197 20 0 BGADHN C[C@H](c1cc2ccccc2o1)N(C)CC[C@H](C)O ZINC000445319053 387840300 /nfs/dbraw/zinc/84/03/00/387840300.db2.gz KQLUHBKVPCHQDR-NWDGAFQWSA-N 0 3 247.338 3.197 20 0 BGADHN C[C@H](O)CCN(C)[C@@H](C)c1cc2ccccc2o1 ZINC000445319054 387838788 /nfs/dbraw/zinc/83/87/88/387838788.db2.gz KQLUHBKVPCHQDR-RYUDHWBXSA-N 0 3 247.338 3.197 20 0 BGADHN C[C@@H](O)CCN(C)[C@H](C)c1cc2ccccc2o1 ZINC000445319055 387839978 /nfs/dbraw/zinc/83/99/78/387839978.db2.gz KQLUHBKVPCHQDR-VXGBXAGGSA-N 0 3 247.338 3.197 20 0 BGADHN CCOCCN(C)[C@H](C)c1ccc2c(c1)CCC2 ZINC000445451659 387525337 /nfs/dbraw/zinc/52/53/37/387525337.db2.gz IPONNWSRCZDSQD-CYBMUJFWSA-N 0 3 247.382 3.205 20 0 BGADHN CCOCCN(C)[C@@H](C)c1ccc2c(c1)CCC2 ZINC000445451660 387526237 /nfs/dbraw/zinc/52/62/37/387526237.db2.gz IPONNWSRCZDSQD-ZDUSSCGKSA-N 0 3 247.382 3.205 20 0 BGADHN c1cncc([C@@H](N[C@@H]2C=CCCC2)C2CC2)c1 ZINC000445768380 387966308 /nfs/dbraw/zinc/96/63/08/387966308.db2.gz OGQJXGICOWFNGD-CABCVRRESA-N 0 3 228.339 3.231 20 0 BGADHN c1cncc([C@@H](N[C@H]2C=CCCC2)C2CC2)c1 ZINC000445768383 387965821 /nfs/dbraw/zinc/96/58/21/387965821.db2.gz OGQJXGICOWFNGD-GJZGRUSLSA-N 0 3 228.339 3.231 20 0 BGADHN c1cncc([C@H](N[C@@H]2C=CCCC2)C2CC2)c1 ZINC000445768384 387966976 /nfs/dbraw/zinc/96/69/76/387966976.db2.gz OGQJXGICOWFNGD-HUUCEWRRSA-N 0 3 228.339 3.231 20 0 BGADHN c1cncc([C@H](N[C@H]2C=CCCC2)C2CC2)c1 ZINC000445768385 387965480 /nfs/dbraw/zinc/96/54/80/387965480.db2.gz OGQJXGICOWFNGD-LSDHHAIUSA-N 0 3 228.339 3.231 20 0 BGADHN Cc1oncc1CN1CC(C)(C)CC(C)(C)C1 ZINC000445795234 387968121 /nfs/dbraw/zinc/96/81/21/387968121.db2.gz NYWPBJOBQCJXRL-UHFFFAOYSA-N 0 3 236.359 3.241 20 0 BGADHN CCc1ccccc1CN(CC)C[C@@H]1CCCO1 ZINC000445801848 387968242 /nfs/dbraw/zinc/96/82/42/387968242.db2.gz JPZBYMWJISZBDU-INIZCTEOSA-N 0 3 247.382 3.250 20 0 BGADHN CCc1ccccc1CN(CC)C[C@H]1CCCO1 ZINC000445801849 387968384 /nfs/dbraw/zinc/96/83/84/387968384.db2.gz JPZBYMWJISZBDU-MRXNPFEDSA-N 0 3 247.382 3.250 20 0 BGADHN CCc1ccccc1CN(C)CCOCC1CC1 ZINC000445811364 387970581 /nfs/dbraw/zinc/97/05/81/387970581.db2.gz PPUKEAIJGKDMFY-UHFFFAOYSA-N 0 3 247.382 3.107 20 0 BGADHN CCc1ccccc1CN1CC[C@](C)(F)C1 ZINC000445813856 387970120 /nfs/dbraw/zinc/97/01/20/387970120.db2.gz OFZZWUUVBJFDIK-AWEZNQCLSA-N 0 3 221.319 3.183 20 0 BGADHN CCc1ccccc1CN1CC[C@@](C)(F)C1 ZINC000445813857 387970363 /nfs/dbraw/zinc/97/03/63/387970363.db2.gz OFZZWUUVBJFDIK-CQSZACIVSA-N 0 3 221.319 3.183 20 0 BGADHN CCc1ccccc1CN1CCOC(C)(C)[C@H]1C ZINC000445816011 387970796 /nfs/dbraw/zinc/97/07/96/387970796.db2.gz RIOZKMZXJPTIBV-CYBMUJFWSA-N 0 3 247.382 3.248 20 0 BGADHN CCc1ccccc1CN1CCOC(C)(C)[C@@H]1C ZINC000445816012 387970245 /nfs/dbraw/zinc/97/02/45/387970245.db2.gz RIOZKMZXJPTIBV-ZDUSSCGKSA-N 0 3 247.382 3.248 20 0 BGADHN CCC1CCC(N(C)Cc2cnoc2C)CC1 ZINC000445816178 387971088 /nfs/dbraw/zinc/97/10/88/387971088.db2.gz TZIXQWASNIVJPF-UHFFFAOYSA-N 0 3 236.359 3.384 20 0 BGADHN CCc1ccccc1CN1CCOC[C@]1(C)CC ZINC000445822340 384816080 /nfs/dbraw/zinc/81/60/80/384816080.db2.gz QZSLFOYBHZCOSU-INIZCTEOSA-N 0 3 247.382 3.250 20 0 BGADHN CCc1ccccc1CN1CCOC[C@@]1(C)CC ZINC000445822341 384816837 /nfs/dbraw/zinc/81/68/37/384816837.db2.gz QZSLFOYBHZCOSU-MRXNPFEDSA-N 0 3 247.382 3.250 20 0 BGADHN c1nc2c(s1)CN(CCC1CCCC1)CC2 ZINC000445875428 387976344 /nfs/dbraw/zinc/97/63/44/387976344.db2.gz KAYNKYUIVOXZSS-UHFFFAOYSA-N 0 3 236.384 3.082 20 0 BGADHN Cc1cnc(CN2CCCCC(C)(C)C2)s1 ZINC000446060664 201664805 /nfs/dbraw/zinc/66/48/05/201664805.db2.gz NSVGKXFAFREVTK-UHFFFAOYSA-N 0 3 238.400 3.464 20 0 BGADHN COc1cc(CN2CCCCC(C)(C)C2)ccn1 ZINC000446063587 387990653 /nfs/dbraw/zinc/99/06/53/387990653.db2.gz VQWDLCSWEYJXEL-UHFFFAOYSA-N 0 3 248.370 3.102 20 0 BGADHN Cc1ccc(CSCCN(C)C)c(Cl)c1 ZINC000446065449 387990715 /nfs/dbraw/zinc/99/07/15/387990715.db2.gz YAMLDCZEDAGCEW-UHFFFAOYSA-N 0 3 243.803 3.443 20 0 BGADHN COc1ccnc(CN2CCCCC(C)(C)C2)c1 ZINC000446065798 387988028 /nfs/dbraw/zinc/98/80/28/387988028.db2.gz CZYDPPKJUDFJMK-UHFFFAOYSA-N 0 3 248.370 3.102 20 0 BGADHN Cc1cccc(C)c1CN1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000446067966 387993351 /nfs/dbraw/zinc/99/33/51/387993351.db2.gz GWLZDLOENHUZSS-KKUMJFAQSA-N 0 3 247.382 3.301 20 0 BGADHN Cc1cccc(C)c1CN1C[C@H](C)O[C@H](C)[C@H]1C ZINC000446067967 387992975 /nfs/dbraw/zinc/99/29/75/387992975.db2.gz GWLZDLOENHUZSS-RRFJBIMHSA-N 0 3 247.382 3.301 20 0 BGADHN Cc1cccc(C)c1CN1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000446067968 387992389 /nfs/dbraw/zinc/99/23/89/387992389.db2.gz GWLZDLOENHUZSS-SOUVJXGZSA-N 0 3 247.382 3.301 20 0 BGADHN Cc1cccc(C)c1CN1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000446067969 387991561 /nfs/dbraw/zinc/99/15/61/387991561.db2.gz GWLZDLOENHUZSS-ZNMIVQPWSA-N 0 3 247.382 3.301 20 0 BGADHN C[C@@H](CN1C[C@@H](C)O[C@H](C)[C@H]1C)c1ccccc1 ZINC000446069051 387993541 /nfs/dbraw/zinc/99/35/41/387993541.db2.gz JPQYPHVJISMSDO-GBJTYRQASA-N 0 3 247.382 3.288 20 0 BGADHN C[C@@H](CN1C[C@@H](C)O[C@H](C)[C@@H]1C)c1ccccc1 ZINC000446069052 387992072 /nfs/dbraw/zinc/99/20/72/387992072.db2.gz JPQYPHVJISMSDO-LJISPDSOSA-N 0 3 247.382 3.288 20 0 BGADHN C[C@@H](CN1C[C@@H](C)O[C@@H](C)[C@@H]1C)c1ccccc1 ZINC000446069053 387991807 /nfs/dbraw/zinc/99/18/07/387991807.db2.gz JPQYPHVJISMSDO-XGUBFFRZSA-N 0 3 247.382 3.288 20 0 BGADHN C[C@@H](CN1C[C@@H](C)O[C@@H](C)[C@H]1C)c1ccccc1 ZINC000446069054 385620117 /nfs/dbraw/zinc/62/01/17/385620117.db2.gz JPQYPHVJISMSDO-YJNKXOJESA-N 0 3 247.382 3.288 20 0 BGADHN C[C@@H]1CN(CCC2CCCC2)[C@@H](C)[C@H](C)O1 ZINC000446072259 387995211 /nfs/dbraw/zinc/99/52/11/387995211.db2.gz PGDNLEMPRYDRJK-AGIUHOORSA-N 0 3 225.376 3.064 20 0 BGADHN C[C@@H]1CN(CCC2CCCC2)[C@@H](C)[C@@H](C)O1 ZINC000446072260 387995889 /nfs/dbraw/zinc/99/58/89/387995889.db2.gz PGDNLEMPRYDRJK-FRRDWIJNSA-N 0 3 225.376 3.064 20 0 BGADHN C[C@@H]1CN(CCC2CCCC2)[C@H](C)[C@@H](C)O1 ZINC000446072261 387994592 /nfs/dbraw/zinc/99/45/92/387994592.db2.gz PGDNLEMPRYDRJK-JHJVBQTASA-N 0 3 225.376 3.064 20 0 BGADHN C[C@@H]1CN(CCC2CCCC2)[C@H](C)[C@H](C)O1 ZINC000446072262 387994222 /nfs/dbraw/zinc/99/42/22/387994222.db2.gz PGDNLEMPRYDRJK-UPJWGTAASA-N 0 3 225.376 3.064 20 0 BGADHN C[C@@H]1CN(CCCc2ccccc2)[C@@H](C)[C@H](C)O1 ZINC000446073351 387995758 /nfs/dbraw/zinc/99/57/58/387995758.db2.gz OWDVAVSDUFUULP-ILXRZTDVSA-N 0 3 247.382 3.117 20 0 BGADHN C[C@@H]1CN(CCCc2ccccc2)[C@H](C)[C@H](C)O1 ZINC000446073352 387995361 /nfs/dbraw/zinc/99/53/61/387995361.db2.gz OWDVAVSDUFUULP-KFWWJZLASA-N 0 3 247.382 3.117 20 0 BGADHN C[C@@H]1CN(CCCc2ccccc2)[C@@H](C)[C@@H](C)O1 ZINC000446073353 385633100 /nfs/dbraw/zinc/63/31/00/385633100.db2.gz OWDVAVSDUFUULP-QLFBSQMISA-N 0 3 247.382 3.117 20 0 BGADHN C[C@@H]1CN(CCCc2ccccc2)[C@H](C)[C@@H](C)O1 ZINC000446073354 385633025 /nfs/dbraw/zinc/63/30/25/385633025.db2.gz OWDVAVSDUFUULP-RBSFLKMASA-N 0 3 247.382 3.117 20 0 BGADHN Cc1ccc(CCN2C[C@H](C)O[C@@H](C)[C@@H]2C)cc1 ZINC000446075327 387997178 /nfs/dbraw/zinc/99/71/78/387997178.db2.gz XTONZGTXKVEPED-KKUMJFAQSA-N 0 3 247.382 3.035 20 0 BGADHN Cc1ccc(CCN2C[C@H](C)O[C@H](C)[C@H]2C)cc1 ZINC000446075328 387996847 /nfs/dbraw/zinc/99/68/47/387996847.db2.gz XTONZGTXKVEPED-RRFJBIMHSA-N 0 3 247.382 3.035 20 0 BGADHN Cc1ccc(CCN2C[C@H](C)O[C@H](C)[C@@H]2C)cc1 ZINC000446075329 387998363 /nfs/dbraw/zinc/99/83/63/387998363.db2.gz XTONZGTXKVEPED-SOUVJXGZSA-N 0 3 247.382 3.035 20 0 BGADHN Cc1ccc(CCN2C[C@H](C)O[C@@H](C)[C@H]2C)cc1 ZINC000446075330 387998283 /nfs/dbraw/zinc/99/82/83/387998283.db2.gz XTONZGTXKVEPED-ZNMIVQPWSA-N 0 3 247.382 3.035 20 0 BGADHN CCC(C)(C)CCN1CCc2ncsc2C1 ZINC000446076281 387997681 /nfs/dbraw/zinc/99/76/81/387997681.db2.gz AJTSXKOYKSQNNA-UHFFFAOYSA-N 0 3 238.400 3.328 20 0 BGADHN CCc1ccccc1CN1C[C@H](C)O[C@H](C)[C@H]1C ZINC000446085482 387998957 /nfs/dbraw/zinc/99/89/57/387998957.db2.gz WPHGGYGLDQWVGP-BFHYXJOUSA-N 0 3 247.382 3.247 20 0 BGADHN CCc1ccccc1CN1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000446085483 387999312 /nfs/dbraw/zinc/99/93/12/387999312.db2.gz WPHGGYGLDQWVGP-IHRRRGAJSA-N 0 3 247.382 3.247 20 0 BGADHN CCc1ccccc1CN1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000446085484 348622625 /nfs/dbraw/zinc/62/26/25/348622625.db2.gz WPHGGYGLDQWVGP-MELADBBJSA-N 0 3 247.382 3.247 20 0 BGADHN CCc1ccccc1CN1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000446085485 348622342 /nfs/dbraw/zinc/62/23/42/348622342.db2.gz WPHGGYGLDQWVGP-MJBXVCDLSA-N 0 3 247.382 3.247 20 0 BGADHN C[C@H](CCc1ccccc1)SCCN(C)C ZINC000446566281 201687557 /nfs/dbraw/zinc/68/75/57/201687557.db2.gz SJBPCIOAANEXJC-CYBMUJFWSA-N 0 3 237.412 3.303 20 0 BGADHN C[C@@H](CCc1ccccc1)SCCN(C)C ZINC000446566282 201686836 /nfs/dbraw/zinc/68/68/36/201686836.db2.gz SJBPCIOAANEXJC-ZDUSSCGKSA-N 0 3 237.412 3.303 20 0 BGADHN CC(C)[C@@H]1CCN(Cc2nc3ccccc3o2)C1 ZINC000446715341 388033480 /nfs/dbraw/zinc/03/34/80/388033480.db2.gz RYFLBXXPKUWELJ-GFCCVEGCSA-N 0 3 244.338 3.306 20 0 BGADHN CC(C)[C@H]1CCN(Cc2nc3ccccc3o2)C1 ZINC000446715342 388034363 /nfs/dbraw/zinc/03/43/63/388034363.db2.gz RYFLBXXPKUWELJ-LBPRGKRZSA-N 0 3 244.338 3.306 20 0 BGADHN CCC1(CC)CCN(Cc2cc(OC)ccn2)C1 ZINC000446723045 388032894 /nfs/dbraw/zinc/03/28/94/388032894.db2.gz MJVRUEBOUXSYKY-UHFFFAOYSA-N 0 3 248.370 3.102 20 0 BGADHN C=Cn1cc(CN2CC(C)(C)CC(C)(C)C2)cn1 ZINC000446793065 388038577 /nfs/dbraw/zinc/03/85/77/388038577.db2.gz BTFSMDKOPPWYRP-UHFFFAOYSA-N 0 3 247.386 3.242 20 0 BGADHN C=Cn1cc(CN2CCCC3(CCCC3)C2)cn1 ZINC000446797994 388039321 /nfs/dbraw/zinc/03/93/21/388039321.db2.gz VEHCMVNNQKXKKX-UHFFFAOYSA-N 0 3 245.370 3.140 20 0 BGADHN CC[C@H](N[C@H](C)c1nccnc1C)C(C)(C)C ZINC000446818578 388038942 /nfs/dbraw/zinc/03/89/42/388038942.db2.gz OOEQUFMJDGSNFZ-NEPJUHHUSA-N 0 3 235.375 3.260 20 0 BGADHN CC[C@@H](N[C@@H](C)c1nccnc1C)C(C)(C)C ZINC000446818579 201698601 /nfs/dbraw/zinc/69/86/01/201698601.db2.gz OOEQUFMJDGSNFZ-NWDGAFQWSA-N 0 3 235.375 3.260 20 0 BGADHN CC[C@H](N[C@@H](C)c1nccnc1C)C(C)(C)C ZINC000446818580 388038545 /nfs/dbraw/zinc/03/85/45/388038545.db2.gz OOEQUFMJDGSNFZ-RYUDHWBXSA-N 0 3 235.375 3.260 20 0 BGADHN CC[C@@H](N[C@H](C)c1nccnc1C)C(C)(C)C ZINC000446818581 388040077 /nfs/dbraw/zinc/04/00/77/388040077.db2.gz OOEQUFMJDGSNFZ-VXGBXAGGSA-N 0 3 235.375 3.260 20 0 BGADHN CSCCN(C)c1ccnc2ccccc21 ZINC000446839312 388041039 /nfs/dbraw/zinc/04/10/39/388041039.db2.gz RLCVJLYQNYQOPE-UHFFFAOYSA-N 0 3 232.352 3.034 20 0 BGADHN CN(CCC1CC1)c1ccnc2ccccc21 ZINC000446883351 388042491 /nfs/dbraw/zinc/04/24/91/388042491.db2.gz GHXXTJHDUWDVPT-UHFFFAOYSA-N 0 3 226.323 3.471 20 0 BGADHN CC(C)(C)CCNCc1ccc2c(n1)CCCC2 ZINC000446893134 388044318 /nfs/dbraw/zinc/04/43/18/388044318.db2.gz RIQPXIIDYGWOPM-UHFFFAOYSA-N 0 3 246.398 3.486 20 0 BGADHN Cc1cc(C)cc(CN(C)Cc2ccn(C)c2)c1 ZINC000446973927 388046862 /nfs/dbraw/zinc/04/68/62/388046862.db2.gz GIGZIOCAFQUYBT-UHFFFAOYSA-N 0 3 242.366 3.274 20 0 BGADHN Cc1ccc(F)c(CN(C)C[C@@H]2C[C@H]2C)c1 ZINC000446975107 388045988 /nfs/dbraw/zinc/04/59/88/388045988.db2.gz OWQOIUCMBLBXKA-NEPJUHHUSA-N 0 3 221.319 3.222 20 0 BGADHN Cc1ccc(F)c(CN(C)C[C@H]2C[C@@H]2C)c1 ZINC000446975108 388046660 /nfs/dbraw/zinc/04/66/60/388046660.db2.gz OWQOIUCMBLBXKA-NWDGAFQWSA-N 0 3 221.319 3.222 20 0 BGADHN Cc1ccc(F)c(CN(C)C[C@@H]2C[C@@H]2C)c1 ZINC000446975109 388046594 /nfs/dbraw/zinc/04/65/94/388046594.db2.gz OWQOIUCMBLBXKA-RYUDHWBXSA-N 0 3 221.319 3.222 20 0 BGADHN Cc1ccc(F)c(CN(C)C[C@H]2C[C@H]2C)c1 ZINC000446975110 388046742 /nfs/dbraw/zinc/04/67/42/388046742.db2.gz OWQOIUCMBLBXKA-VXGBXAGGSA-N 0 3 221.319 3.222 20 0 BGADHN CC[C@@H](C)CN(C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000447076436 388051183 /nfs/dbraw/zinc/05/11/83/388051183.db2.gz NHGWHCXRRRHWHU-LLVKDONJSA-N 0 3 237.391 3.185 20 0 BGADHN CC[C@H](C)CN(C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000447076437 388052029 /nfs/dbraw/zinc/05/20/29/388052029.db2.gz NHGWHCXRRRHWHU-NSHDSACASA-N 0 3 237.391 3.185 20 0 BGADHN CN(Cc1cc(C(C)(C)C)n[nH]1)CC1CCCC1 ZINC000447082130 388053522 /nfs/dbraw/zinc/05/35/22/388053522.db2.gz MCRMYJRTQLCTAC-UHFFFAOYSA-N 0 3 249.402 3.329 20 0 BGADHN Cc1ccc(CN(C)CC2CC2)c(Cl)c1 ZINC000447179622 388057250 /nfs/dbraw/zinc/05/72/50/388057250.db2.gz YWEJKRVTKXZAGB-UHFFFAOYSA-N 0 3 223.747 3.490 20 0 BGADHN Cc1ccc(CN2CC[C@@H](C)C2)c(Cl)c1 ZINC000447299582 388061752 /nfs/dbraw/zinc/06/17/52/388061752.db2.gz SAIYCIHPFGNFFY-LLVKDONJSA-N 0 3 223.747 3.490 20 0 BGADHN Cc1ccc(CN2CC[C@H](C)C2)c(Cl)c1 ZINC000447299583 388059951 /nfs/dbraw/zinc/05/99/51/388059951.db2.gz SAIYCIHPFGNFFY-NSHDSACASA-N 0 3 223.747 3.490 20 0 BGADHN CCCN(C)Cc1ccc(C)cc1Cl ZINC000447348721 388065227 /nfs/dbraw/zinc/06/52/27/388065227.db2.gz SFITVUUKOVBYDT-UHFFFAOYSA-N 0 3 211.736 3.490 20 0 BGADHN COCCN[C@H]1C[C@H](C(C)C)c2ccccc21 ZINC000447515224 388076097 /nfs/dbraw/zinc/07/60/97/388076097.db2.gz BIWSBZFHHKEVKF-CABCVRRESA-N 0 3 233.355 3.107 20 0 BGADHN COCCN[C@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000447515225 388075793 /nfs/dbraw/zinc/07/57/93/388075793.db2.gz BIWSBZFHHKEVKF-GJZGRUSLSA-N 0 3 233.355 3.107 20 0 BGADHN COCCN[C@@H]1C[C@H](C(C)C)c2ccccc21 ZINC000447515227 388075948 /nfs/dbraw/zinc/07/59/48/388075948.db2.gz BIWSBZFHHKEVKF-HUUCEWRRSA-N 0 3 233.355 3.107 20 0 BGADHN COCCN[C@@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000447515229 388076222 /nfs/dbraw/zinc/07/62/22/388076222.db2.gz BIWSBZFHHKEVKF-LSDHHAIUSA-N 0 3 233.355 3.107 20 0 BGADHN CCOCCN[C@H]1C[C@H](C(C)C)c2ccccc21 ZINC000447540127 388076564 /nfs/dbraw/zinc/07/65/64/388076564.db2.gz IUPSOJYFJVONLH-CVEARBPZSA-N 0 3 247.382 3.497 20 0 BGADHN CCOCCN[C@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000447540129 388076686 /nfs/dbraw/zinc/07/66/86/388076686.db2.gz IUPSOJYFJVONLH-HOTGVXAUSA-N 0 3 247.382 3.497 20 0 BGADHN CCOCCN[C@@H]1C[C@H](C(C)C)c2ccccc21 ZINC000447540131 388076679 /nfs/dbraw/zinc/07/66/79/388076679.db2.gz IUPSOJYFJVONLH-HZPDHXFCSA-N 0 3 247.382 3.497 20 0 BGADHN CCOCCN[C@@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000447540133 201723073 /nfs/dbraw/zinc/72/30/73/201723073.db2.gz IUPSOJYFJVONLH-JKSUJKDBSA-N 0 3 247.382 3.497 20 0 BGADHN C[C@@H](NCc1ccc2c(n1)CCCC2)C1(C)CC1 ZINC000447565453 388079176 /nfs/dbraw/zinc/07/91/76/388079176.db2.gz LIMANEUITAJXMR-GFCCVEGCSA-N 0 3 244.382 3.239 20 0 BGADHN C[C@H](NCc1ccc2c(n1)CCCC2)C1(C)CC1 ZINC000447565454 388079370 /nfs/dbraw/zinc/07/93/70/388079370.db2.gz LIMANEUITAJXMR-LBPRGKRZSA-N 0 3 244.382 3.239 20 0 BGADHN CC(C)[C@@H]1C[C@H](N[C@@H]2CCOC2)c2ccccc21 ZINC000447572766 388079831 /nfs/dbraw/zinc/07/98/31/388079831.db2.gz DPFLOTPYVLNPBU-KCXAZCMYSA-N 0 3 245.366 3.250 20 0 BGADHN CC(C)[C@@H]1C[C@H](N[C@H]2CCOC2)c2ccccc21 ZINC000447572767 388079311 /nfs/dbraw/zinc/07/93/11/388079311.db2.gz DPFLOTPYVLNPBU-RCBQFDQVSA-N 0 3 245.366 3.250 20 0 BGADHN CC(C)[C@@H]1C[C@@H](N[C@@H]2CCOC2)c2ccccc21 ZINC000447572769 388079494 /nfs/dbraw/zinc/07/94/94/388079494.db2.gz DPFLOTPYVLNPBU-UHOFOFEASA-N 0 3 245.366 3.250 20 0 BGADHN CC(C)[C@@H]1C[C@@H](N[C@H]2CCOC2)c2ccccc21 ZINC000447572771 201724143 /nfs/dbraw/zinc/72/41/43/201724143.db2.gz DPFLOTPYVLNPBU-VBNZEHGJSA-N 0 3 245.366 3.250 20 0 BGADHN C[C@H](Cc1ccoc1)N[C@@H]1CCCc2occc21 ZINC000447575478 388079514 /nfs/dbraw/zinc/07/95/14/388079514.db2.gz SYHFTYXNLAKRDL-BXUZGUMPSA-N 0 3 245.322 3.471 20 0 BGADHN C[C@@H](Cc1ccoc1)N[C@H]1CCCc2occc21 ZINC000447575479 388079260 /nfs/dbraw/zinc/07/92/60/388079260.db2.gz SYHFTYXNLAKRDL-FZMZJTMJSA-N 0 3 245.322 3.471 20 0 BGADHN C[C@H](Cc1ccoc1)N[C@H]1CCCc2occc21 ZINC000447575480 388080250 /nfs/dbraw/zinc/08/02/50/388080250.db2.gz SYHFTYXNLAKRDL-RISCZKNCSA-N 0 3 245.322 3.471 20 0 BGADHN C[C@@H](Cc1ccoc1)N[C@@H]1CCCc2occc21 ZINC000447575481 388079986 /nfs/dbraw/zinc/07/99/86/388079986.db2.gz SYHFTYXNLAKRDL-SMDDNHRTSA-N 0 3 245.322 3.471 20 0 BGADHN C[C@@H](N[C@@H](C)CC1CCCCC1)c1cnccn1 ZINC000447582527 388080946 /nfs/dbraw/zinc/08/09/46/388080946.db2.gz WVHQFWOTXOMTNZ-QWHCGFSZSA-N 0 3 247.386 3.486 20 0 BGADHN C[C@@H](CC1CCCCC1)N[C@@H](C)c1cnccn1 ZINC000447582528 388080774 /nfs/dbraw/zinc/08/07/74/388080774.db2.gz WVHQFWOTXOMTNZ-STQMWFEESA-N 0 3 247.386 3.486 20 0 BGADHN C[C@@H](N[C@@H](C)CC1CCCCC1)c1nccn1C ZINC000447583093 388081068 /nfs/dbraw/zinc/08/10/68/388081068.db2.gz YZSLSSTVUXYQDO-QWHCGFSZSA-N 0 3 249.402 3.430 20 0 BGADHN C[C@@H](CC1CCCCC1)N[C@@H](C)c1nccn1C ZINC000447583094 388080903 /nfs/dbraw/zinc/08/09/03/388080903.db2.gz YZSLSSTVUXYQDO-STQMWFEESA-N 0 3 249.402 3.430 20 0 BGADHN C[C@H](N[C@@H]1C[C@H]1C1CCCCC1)c1ccnn1C ZINC000447584424 388081163 /nfs/dbraw/zinc/08/11/63/388081163.db2.gz FYSZKYWRJCLQDD-FPMFFAJLSA-N 0 3 247.386 3.040 20 0 BGADHN C[C@H](N[C@@H]1C[C@@H]1C1CCCCC1)c1ccnn1C ZINC000447584425 388081016 /nfs/dbraw/zinc/08/10/16/388081016.db2.gz FYSZKYWRJCLQDD-IACUBPJLSA-N 0 3 247.386 3.040 20 0 BGADHN C[C@H](N[C@H]1C[C@H]1C1CCCCC1)c1ccnn1C ZINC000447584426 388081099 /nfs/dbraw/zinc/08/10/99/388081099.db2.gz FYSZKYWRJCLQDD-UBHSHLNASA-N 0 3 247.386 3.040 20 0 BGADHN C[C@H](N[C@H]1C[C@@H]1C1CCCCC1)c1ccnn1C ZINC000447584427 388080760 /nfs/dbraw/zinc/08/07/60/388080760.db2.gz FYSZKYWRJCLQDD-YUTCNCBUSA-N 0 3 247.386 3.040 20 0 BGADHN CC[C@@H](NC1CCC2(CC2)CC1)c1ccn(C)n1 ZINC000447591269 388080974 /nfs/dbraw/zinc/08/09/74/388080974.db2.gz HLRGJUXDSVUMPE-CYBMUJFWSA-N 0 3 247.386 3.184 20 0 BGADHN CC[C@H](NC1CCC2(CC2)CC1)c1ccn(C)n1 ZINC000447591271 388080807 /nfs/dbraw/zinc/08/08/07/388080807.db2.gz HLRGJUXDSVUMPE-ZDUSSCGKSA-N 0 3 247.386 3.184 20 0 BGADHN C[C@H](CN[C@@H]1CCCc2occc21)C(F)(F)F ZINC000447604031 388081859 /nfs/dbraw/zinc/08/18/59/388081859.db2.gz ZYACEZLTKSAVRL-PSASIEDQSA-N 0 3 247.260 3.445 20 0 BGADHN C[C@H](CN[C@H]1CCCc2occc21)C(F)(F)F ZINC000447604032 388082162 /nfs/dbraw/zinc/08/21/62/388082162.db2.gz ZYACEZLTKSAVRL-SCZZXKLOSA-N 0 3 247.260 3.445 20 0 BGADHN C[C@@H](CN[C@@H]1CCCc2occc21)C(F)(F)F ZINC000447604033 388081524 /nfs/dbraw/zinc/08/15/24/388081524.db2.gz ZYACEZLTKSAVRL-WCBMZHEXSA-N 0 3 247.260 3.445 20 0 BGADHN C[C@@H](CN[C@H]1CCCc2occc21)C(F)(F)F ZINC000447604035 388081530 /nfs/dbraw/zinc/08/15/30/388081530.db2.gz ZYACEZLTKSAVRL-WPRPVWTQSA-N 0 3 247.260 3.445 20 0 BGADHN COc1cc(CN2CCC23CCC3)ccc1C ZINC000447726806 388089178 /nfs/dbraw/zinc/08/91/78/388089178.db2.gz HEOGPGKWIJKQNR-UHFFFAOYSA-N 0 3 231.339 3.132 20 0 BGADHN C=Cn1cc(CN2CCC[C@](C)(CCC)C2)cn1 ZINC000447730340 388088722 /nfs/dbraw/zinc/08/87/22/388088722.db2.gz PXKZJCSEVLSRMT-HNNXBMFYSA-N 0 3 247.386 3.386 20 0 BGADHN C=Cn1cc(CN2CCC[C@@](C)(CCC)C2)cn1 ZINC000447730341 388089016 /nfs/dbraw/zinc/08/90/16/388089016.db2.gz PXKZJCSEVLSRMT-OAHLLOKOSA-N 0 3 247.386 3.386 20 0 BGADHN CSCCN(C)Cc1ccc(C)c(Cl)c1 ZINC000447733578 388089350 /nfs/dbraw/zinc/08/93/50/388089350.db2.gz ZQBAHAKTLVXOGJ-UHFFFAOYSA-N 0 3 243.803 3.443 20 0 BGADHN Cc1ccc(CN2CC[C@H](C)C2)cc1Cl ZINC000447739138 388090804 /nfs/dbraw/zinc/09/08/04/388090804.db2.gz WXWJYYDAVPYVEQ-JTQLQIEISA-N 0 3 223.747 3.490 20 0 BGADHN Cc1ccc(CN2CC[C@@H](C)C2)cc1Cl ZINC000447739139 388090789 /nfs/dbraw/zinc/09/07/89/388090789.db2.gz WXWJYYDAVPYVEQ-SNVBAGLBSA-N 0 3 223.747 3.490 20 0 BGADHN C[C@@H](CCN1CCOC(C)(C)C1)c1ccccc1 ZINC000447746234 388090719 /nfs/dbraw/zinc/09/07/19/388090719.db2.gz OORLNWRCXWNNSQ-AWEZNQCLSA-N 0 3 247.382 3.291 20 0 BGADHN C[C@H](CCN1CCOC(C)(C)C1)c1ccccc1 ZINC000447746235 388090170 /nfs/dbraw/zinc/09/01/70/388090170.db2.gz OORLNWRCXWNNSQ-CQSZACIVSA-N 0 3 247.382 3.291 20 0 BGADHN COc1cc(CN2CCC(C)(C)C2)ccc1C ZINC000447748322 388090626 /nfs/dbraw/zinc/09/06/26/388090626.db2.gz XFFBGQOQFDWIIF-UHFFFAOYSA-N 0 3 233.355 3.236 20 0 BGADHN C=Cn1cc(CN(C)C2CCC(CC)CC2)cn1 ZINC000447794448 388093082 /nfs/dbraw/zinc/09/30/82/388093082.db2.gz DTFWJZXXNFMKAJ-UHFFFAOYSA-N 0 3 247.386 3.384 20 0 BGADHN Cc1ccccc1CN1CCO[C@H](C(C)(C)C)C1 ZINC000447827187 388095149 /nfs/dbraw/zinc/09/51/49/388095149.db2.gz AVTKKMGIRPTQTM-HNNXBMFYSA-N 0 3 247.382 3.242 20 0 BGADHN Cc1ccccc1CN1CCO[C@@H](C(C)(C)C)C1 ZINC000447827188 388094835 /nfs/dbraw/zinc/09/48/35/388094835.db2.gz AVTKKMGIRPTQTM-OAHLLOKOSA-N 0 3 247.382 3.242 20 0 BGADHN C[C@@H](c1ccccc1)N1CCO[C@@H](C(C)(C)C)C1 ZINC000447832600 388097226 /nfs/dbraw/zinc/09/72/26/388097226.db2.gz MNNBLXVYLARCFJ-DZGCQCFKSA-N 0 3 247.382 3.495 20 0 BGADHN C[C@H](c1ccccc1)N1CCO[C@H](C(C)(C)C)C1 ZINC000447832601 388096831 /nfs/dbraw/zinc/09/68/31/388096831.db2.gz MNNBLXVYLARCFJ-HIFRSBDPSA-N 0 3 247.382 3.495 20 0 BGADHN C[C@H](c1ccccc1)N1CCO[C@@H](C(C)(C)C)C1 ZINC000447832602 388096055 /nfs/dbraw/zinc/09/60/55/388096055.db2.gz MNNBLXVYLARCFJ-UKRRQHHQSA-N 0 3 247.382 3.495 20 0 BGADHN C[C@@H](c1ccccc1)N1CCO[C@H](C(C)(C)C)C1 ZINC000447832603 388096011 /nfs/dbraw/zinc/09/60/11/388096011.db2.gz MNNBLXVYLARCFJ-ZFWWWQNUSA-N 0 3 247.382 3.495 20 0 BGADHN COc1ccccc1CNC1CC2(CCC2)C1 ZINC000448056835 384867765 /nfs/dbraw/zinc/86/77/65/384867765.db2.gz RWZJAOWMINXJDV-UHFFFAOYSA-N 0 3 231.339 3.118 20 0 BGADHN COC[C@@H](NC1CC2(CCC2)C1)c1ccc(C)o1 ZINC000448059191 219851766 /nfs/dbraw/zinc/85/17/66/219851766.db2.gz XVWBPISQIFLADD-CYBMUJFWSA-N 0 3 249.354 3.198 20 0 BGADHN COC[C@H](NC1CC2(CCC2)C1)c1ccc(C)o1 ZINC000448059192 384886512 /nfs/dbraw/zinc/88/65/12/384886512.db2.gz XVWBPISQIFLADD-ZDUSSCGKSA-N 0 3 249.354 3.198 20 0 BGADHN Fc1ccc(F)c(CNC2CC3(CCC3)C2)c1 ZINC000448062773 384926758 /nfs/dbraw/zinc/92/67/58/384926758.db2.gz DXZHWMIVBGAZCE-UHFFFAOYSA-N 0 3 237.293 3.387 20 0 BGADHN Fc1ccc(CNC2CC3(CCC3)C2)c(F)c1 ZINC000448062980 384929628 /nfs/dbraw/zinc/92/96/28/384929628.db2.gz GXBQWRWDGPSEFZ-UHFFFAOYSA-N 0 3 237.293 3.387 20 0 BGADHN Fc1cc(F)cc(CNC2CC3(CCC3)C2)c1 ZINC000448063718 384939337 /nfs/dbraw/zinc/93/93/37/384939337.db2.gz BQDFGHONHVXWII-UHFFFAOYSA-N 0 3 237.293 3.387 20 0 BGADHN CCc1noc(CC)c1CNC1CC2(CCC2)C1 ZINC000448075178 490522182 /nfs/dbraw/zinc/52/21/82/490522182.db2.gz UARIHLSGBNGOHX-UHFFFAOYSA-N 0 3 248.370 3.222 20 0 BGADHN COc1cc(C)ccc1CNC1CC2(CCC2)C1 ZINC000448075435 398339931 /nfs/dbraw/zinc/33/99/31/398339931.db2.gz ANWMYWKGGOBDJC-UHFFFAOYSA-N 0 3 245.366 3.426 20 0 BGADHN CC[C@@H](C)N(C)Cc1ccnn1-c1ccccc1 ZINC000448211935 398345188 /nfs/dbraw/zinc/34/51/88/398345188.db2.gz FTFXHLWQMGCOOU-CYBMUJFWSA-N 0 3 243.354 3.103 20 0 BGADHN CC[C@H](C)N(C)Cc1ccnn1-c1ccccc1 ZINC000448211936 398345207 /nfs/dbraw/zinc/34/52/07/398345207.db2.gz FTFXHLWQMGCOOU-ZDUSSCGKSA-N 0 3 243.354 3.103 20 0 BGADHN CCCCN(C)Cc1ccnn1-c1ccccc1 ZINC000448218309 384927465 /nfs/dbraw/zinc/92/74/65/384927465.db2.gz UPGBFGMHZILBRH-UHFFFAOYSA-N 0 3 243.354 3.104 20 0 BGADHN CCCN(CC)Cc1ccnn1-c1ccccc1 ZINC000448223313 384931156 /nfs/dbraw/zinc/93/11/56/384931156.db2.gz NNOSNRGKRSJYOA-UHFFFAOYSA-N 0 3 243.354 3.104 20 0 BGADHN CCC1(N[C@@H](C)c2ccc(OC)cc2F)CC1 ZINC000448552595 201242923 /nfs/dbraw/zinc/24/29/23/201242923.db2.gz MQTUYIWRMNJGDB-JTQLQIEISA-N 0 3 237.318 3.428 20 0 BGADHN CCC1(N[C@H](C)c2ccc(OC)cc2F)CC1 ZINC000448552596 201244081 /nfs/dbraw/zinc/24/40/81/201244081.db2.gz MQTUYIWRMNJGDB-SNVBAGLBSA-N 0 3 237.318 3.428 20 0 BGADHN Cc1nc(C)c(CN(C)C2CC(C)(C)C2)s1 ZINC000448553849 201253002 /nfs/dbraw/zinc/25/30/02/201253002.db2.gz DYNGTASDSZYFJC-UHFFFAOYSA-N 0 3 238.400 3.380 20 0 BGADHN Cc1cnc(CN2CC[C@H](CC(C)(C)C)C2)cn1 ZINC000448554087 201251906 /nfs/dbraw/zinc/25/19/06/201251906.db2.gz HXJXJMIUAKUGSH-CYBMUJFWSA-N 0 3 247.386 3.043 20 0 BGADHN Cc1cnc(CN2CC[C@@H](CC(C)(C)C)C2)cn1 ZINC000448554088 201253036 /nfs/dbraw/zinc/25/30/36/201253036.db2.gz HXJXJMIUAKUGSH-ZDUSSCGKSA-N 0 3 247.386 3.043 20 0 BGADHN Cc1cc(CN2CC[C@H](CC(C)(C)C)C2)on1 ZINC000448554333 201254848 /nfs/dbraw/zinc/25/48/48/201254848.db2.gz IUWLOFGASBGKDD-GFCCVEGCSA-N 0 3 236.359 3.241 20 0 BGADHN Cc1cc(CN2CC[C@@H](CC(C)(C)C)C2)on1 ZINC000448554334 201254094 /nfs/dbraw/zinc/25/40/94/201254094.db2.gz IUWLOFGASBGKDD-LBPRGKRZSA-N 0 3 236.359 3.241 20 0 BGADHN CCc1noc(C)c1CN(C)C1CC(C)(C)C1 ZINC000448555524 201259859 /nfs/dbraw/zinc/25/98/59/201259859.db2.gz LOGQZRDXNACTRR-UHFFFAOYSA-N 0 3 236.359 3.166 20 0 BGADHN COc1cc(C)ccc1CN(C)CC1CCC1 ZINC000448988120 388125706 /nfs/dbraw/zinc/12/57/06/388125706.db2.gz AMNUUROWYJYJRG-UHFFFAOYSA-N 0 3 233.355 3.236 20 0 BGADHN CCCN(CC)Cc1ccnn1C1CCCC1 ZINC000448991710 388126450 /nfs/dbraw/zinc/12/64/50/388126450.db2.gz JSMFUMYBXBDLJL-UHFFFAOYSA-N 0 3 235.375 3.230 20 0 BGADHN COc1cc(F)cc(CN(C)CC2CCC2)c1 ZINC000448995866 388126297 /nfs/dbraw/zinc/12/62/97/388126297.db2.gz QTRUOQBCRQDEHL-UHFFFAOYSA-N 0 3 237.318 3.066 20 0 BGADHN CCCN(CC)Cc1ccc(C)cc1OC ZINC000448997403 388125772 /nfs/dbraw/zinc/12/57/72/388125772.db2.gz UNCMYCMEISOUJK-UHFFFAOYSA-N 0 3 221.344 3.236 20 0 BGADHN CN(Cc1ccnn1C1CCCC1)CC1CCC1 ZINC000448999474 388125621 /nfs/dbraw/zinc/12/56/21/388125621.db2.gz YHORXGXWUSUVCU-UHFFFAOYSA-N 0 3 247.386 3.230 20 0 BGADHN C[C@@H](CN1CCCC1)c1cc(F)cc(F)c1 ZINC000449000811 388126208 /nfs/dbraw/zinc/12/62/08/388126208.db2.gz AEBHQTMTKWDOSV-JTQLQIEISA-N 0 3 225.282 3.164 20 0 BGADHN C[C@H](CN1CCCC1)c1cc(F)cc(F)c1 ZINC000449000812 388126026 /nfs/dbraw/zinc/12/60/26/388126026.db2.gz AEBHQTMTKWDOSV-SNVBAGLBSA-N 0 3 225.282 3.164 20 0 BGADHN c1cc(CN2CCCCCC2)n(C2CCCC2)n1 ZINC000449001168 388127478 /nfs/dbraw/zinc/12/74/78/388127478.db2.gz CEVIHOYUQWWOPG-UHFFFAOYSA-N 0 3 247.386 3.374 20 0 BGADHN CC(C)[C@@H](C)N(Cc1ccncc1F)C1CC1 ZINC000449001529 388127034 /nfs/dbraw/zinc/12/70/34/388127034.db2.gz DKYQWKLRTBFEGT-LLVKDONJSA-N 0 3 236.334 3.230 20 0 BGADHN CC(C)[C@H](C)N(Cc1ccncc1F)C1CC1 ZINC000449001530 388126793 /nfs/dbraw/zinc/12/67/93/388126793.db2.gz DKYQWKLRTBFEGT-NSHDSACASA-N 0 3 236.334 3.230 20 0 BGADHN COc1cc(CN2CCCC2)cc2ccccc21 ZINC000449001675 388127015 /nfs/dbraw/zinc/12/70/15/388127015.db2.gz FDCKRGQRQOEFJP-UHFFFAOYSA-N 0 3 241.334 3.444 20 0 BGADHN CCCCN(C)Cc1ccc(C)cc1OC ZINC000449001757 388127596 /nfs/dbraw/zinc/12/75/96/388127596.db2.gz FZTAULLJCAUOAR-UHFFFAOYSA-N 0 3 221.344 3.236 20 0 BGADHN Cc1cc(CN2CCC(C)CC2)cs1 ZINC000449001937 388127148 /nfs/dbraw/zinc/12/71/48/388127148.db2.gz HEZINHSPEFWKLS-UHFFFAOYSA-N 0 3 209.358 3.288 20 0 BGADHN COc1cc(F)cc(CN2CCCCCC2)c1 ZINC000449002400 388127612 /nfs/dbraw/zinc/12/76/12/388127612.db2.gz KPIMWARCNDETJZ-UHFFFAOYSA-N 0 3 237.318 3.210 20 0 BGADHN COc1cc2ccccc2cc1CN1CCCC1 ZINC000449002411 388127805 /nfs/dbraw/zinc/12/78/05/388127805.db2.gz KTZXYQWPRHXEKF-UHFFFAOYSA-N 0 3 241.334 3.444 20 0 BGADHN CC(C)CN(Cc1ccncc1F)CC(C)C ZINC000449002431 388126918 /nfs/dbraw/zinc/12/69/18/388126918.db2.gz KYZXIVZDICLNGY-UHFFFAOYSA-N 0 3 238.350 3.335 20 0 BGADHN CCN(Cc1ccncc1F)C1CCCCC1 ZINC000449002586 388126747 /nfs/dbraw/zinc/12/67/47/388126747.db2.gz LQQWQLYIAHSEGC-UHFFFAOYSA-N 0 3 236.334 3.375 20 0 BGADHN C[C@@H]1CCCN(Cc2ccnn2C2CCCC2)C1 ZINC000449002646 388127875 /nfs/dbraw/zinc/12/78/75/388127875.db2.gz MKBBYEYRZPVCCQ-CYBMUJFWSA-N 0 3 247.386 3.230 20 0 BGADHN C[C@H]1CCCN(Cc2ccnn2C2CCCC2)C1 ZINC000449002647 388126914 /nfs/dbraw/zinc/12/69/14/388126914.db2.gz MKBBYEYRZPVCCQ-ZDUSSCGKSA-N 0 3 247.386 3.230 20 0 BGADHN COc1cc(F)cc(CN2CCCC[C@H]2C)c1 ZINC000449002756 388127763 /nfs/dbraw/zinc/12/77/63/388127763.db2.gz MMLKEGRXALHJHT-LLVKDONJSA-N 0 3 237.318 3.209 20 0 BGADHN COc1cc(F)cc(CN2CCCC[C@@H]2C)c1 ZINC000449002757 388127659 /nfs/dbraw/zinc/12/76/59/388127659.db2.gz MMLKEGRXALHJHT-NSHDSACASA-N 0 3 237.318 3.209 20 0 BGADHN COc1cc(F)cc(CN2CCC(C)CC2)c1 ZINC000449003216 388127397 /nfs/dbraw/zinc/12/73/97/388127397.db2.gz PLAIYIMVLYNFQL-UHFFFAOYSA-N 0 3 237.318 3.066 20 0 BGADHN CCCCN(C)Cc1cc(F)cc(OC)c1 ZINC000449004341 388126179 /nfs/dbraw/zinc/12/61/79/388126179.db2.gz XLBAOIDFOHPXDI-UHFFFAOYSA-N 0 3 225.307 3.066 20 0 BGADHN COc1cc(F)cc(CN2CCC[C@@H](C)C2)c1 ZINC000449004733 388127642 /nfs/dbraw/zinc/12/76/42/388127642.db2.gz ZUYKHDAOUJAJSX-LLVKDONJSA-N 0 3 237.318 3.066 20 0 BGADHN COc1cc(F)cc(CN2CCC[C@H](C)C2)c1 ZINC000449004734 388126619 /nfs/dbraw/zinc/12/66/19/388126619.db2.gz ZUYKHDAOUJAJSX-NSHDSACASA-N 0 3 237.318 3.066 20 0 BGADHN Cc1cccc(CCN(C)Cc2ccco2)c1 ZINC000449005930 388127168 /nfs/dbraw/zinc/12/71/68/388127168.db2.gz BGEAYDBWLITOHS-UHFFFAOYSA-N 0 3 229.323 3.263 20 0 BGADHN CN(Cc1ccnn1C1CCCC1)C1CCCC1 ZINC000449007406 388127110 /nfs/dbraw/zinc/12/71/10/388127110.db2.gz CVQRRQGPECICLE-UHFFFAOYSA-N 0 3 247.386 3.373 20 0 BGADHN Fc1cnccc1CN1CCC[C@H]2CCCC[C@@H]21 ZINC000449008668 388127654 /nfs/dbraw/zinc/12/76/54/388127654.db2.gz QYCVEOLJRXVEID-DOMZBBRYSA-N 0 3 248.345 3.375 20 0 BGADHN Fc1cnccc1CN1CCC[C@H]2CCCC[C@H]21 ZINC000449008669 388127498 /nfs/dbraw/zinc/12/74/98/388127498.db2.gz QYCVEOLJRXVEID-IUODEOHRSA-N 0 3 248.345 3.375 20 0 BGADHN Fc1cnccc1CN1CCC[C@@H]2CCCC[C@H]21 ZINC000449008670 388127778 /nfs/dbraw/zinc/12/77/78/388127778.db2.gz QYCVEOLJRXVEID-SWLSCSKDSA-N 0 3 248.345 3.375 20 0 BGADHN Fc1cnccc1CN1CCC[C@@H]2CCCC[C@@H]21 ZINC000449008671 388127027 /nfs/dbraw/zinc/12/70/27/388127027.db2.gz QYCVEOLJRXVEID-WFASDCNBSA-N 0 3 248.345 3.375 20 0 BGADHN COc1cc2ccccc2cc1CN(C)C1CC1 ZINC000449008777 388127009 /nfs/dbraw/zinc/12/70/09/388127009.db2.gz FGXFJTAJUQJWEG-UHFFFAOYSA-N 0 3 241.334 3.443 20 0 BGADHN CN(Cc1ccncc1F)C1CCCCCC1 ZINC000449009155 388127624 /nfs/dbraw/zinc/12/76/24/388127624.db2.gz MEHKAXFOHQWKDY-UHFFFAOYSA-N 0 3 236.334 3.375 20 0 BGADHN CCN(Cc1ccc(C)cc1OC)C(C)C ZINC000449009570 388129058 /nfs/dbraw/zinc/12/90/58/388129058.db2.gz OSGNOCHAKJGUKF-UHFFFAOYSA-N 0 3 221.344 3.234 20 0 BGADHN CCCCCN(CCO)Cc1csc(C)c1 ZINC000449009691 388128219 /nfs/dbraw/zinc/12/82/19/388128219.db2.gz PFVHNLAUECUPOC-UHFFFAOYSA-N 0 3 241.400 3.041 20 0 BGADHN CCN(C)Cc1cc2ccccc2cc1OC ZINC000449010305 388128926 /nfs/dbraw/zinc/12/89/26/388128926.db2.gz SDBLBZHHNPVRFU-UHFFFAOYSA-N 0 3 229.323 3.300 20 0 BGADHN CCN(Cc1ccnn1C1CCCC1)C(C)C ZINC000449010350 385290709 /nfs/dbraw/zinc/29/07/09/385290709.db2.gz SLDNPAXBMQSGPV-UHFFFAOYSA-N 0 3 235.375 3.229 20 0 BGADHN CCCN(Cc1cc(F)cc(OC)c1)C1CC1 ZINC000449010539 388128929 /nfs/dbraw/zinc/12/89/29/388128929.db2.gz MFFWZLTVEKFXQF-UHFFFAOYSA-N 0 3 237.318 3.209 20 0 BGADHN CCN(Cc1cccc(C)c1F)C(C)C ZINC000449010828 388128964 /nfs/dbraw/zinc/12/89/64/388128964.db2.gz VJVDKEYHMYUQRC-UHFFFAOYSA-N 0 3 209.308 3.364 20 0 BGADHN COc1cc(C)ccc1CN(C)CC(C)C ZINC000449011210 388129101 /nfs/dbraw/zinc/12/91/01/388129101.db2.gz PIPKWKDJPSOKRX-UHFFFAOYSA-N 0 3 221.344 3.091 20 0 BGADHN CC(C)C[C@H]1CCCN1Cc1ccncc1F ZINC000449011520 388128330 /nfs/dbraw/zinc/12/83/30/388128330.db2.gz QSPJGLPUNQGWJM-CYBMUJFWSA-N 0 3 236.334 3.231 20 0 BGADHN CC(C)C[C@@H]1CCCN1Cc1ccncc1F ZINC000449011521 388128719 /nfs/dbraw/zinc/12/87/19/388128719.db2.gz QSPJGLPUNQGWJM-ZDUSSCGKSA-N 0 3 236.334 3.231 20 0 BGADHN C[C@H]1CCC[C@H](N(C)Cc2ccncc2F)C1 ZINC000449011586 388129129 /nfs/dbraw/zinc/12/91/29/388129129.db2.gz RKCOQIQAQDHVEZ-AAEUAGOBSA-N 0 3 236.334 3.231 20 0 BGADHN C[C@@H]1CCC[C@@H](N(C)Cc2ccncc2F)C1 ZINC000449011587 388128694 /nfs/dbraw/zinc/12/86/94/388128694.db2.gz RKCOQIQAQDHVEZ-DGCLKSJQSA-N 0 3 236.334 3.231 20 0 BGADHN C[C@H]1CCC[C@@H](N(C)Cc2ccncc2F)C1 ZINC000449011588 388128089 /nfs/dbraw/zinc/12/80/89/388128089.db2.gz RKCOQIQAQDHVEZ-WCQYABFASA-N 0 3 236.334 3.231 20 0 BGADHN C[C@@H]1CCC[C@H](N(C)Cc2ccncc2F)C1 ZINC000449011589 388127773 /nfs/dbraw/zinc/12/77/73/388127773.db2.gz RKCOQIQAQDHVEZ-YPMHNXCESA-N 0 3 236.334 3.231 20 0 BGADHN CC(C)[C@@H](C)N(C)Cc1ccnn1C1CCCC1 ZINC000449011592 388128557 /nfs/dbraw/zinc/12/85/57/388128557.db2.gz RMQXTJCGDSIVSL-CYBMUJFWSA-N 0 3 249.402 3.475 20 0 BGADHN CC(C)[C@H](C)N(C)Cc1ccnn1C1CCCC1 ZINC000449011593 388128403 /nfs/dbraw/zinc/12/84/03/388128403.db2.gz RMQXTJCGDSIVSL-ZDUSSCGKSA-N 0 3 249.402 3.475 20 0 BGADHN CN(Cc1cccc2ccoc21)C[C@@H]1CCCO1 ZINC000449011671 388128840 /nfs/dbraw/zinc/12/88/40/388128840.db2.gz SLYNVJYABLVUBN-AWEZNQCLSA-N 0 3 245.322 3.044 20 0 BGADHN CN(Cc1cccc2ccoc21)C[C@H]1CCCO1 ZINC000449011672 388128980 /nfs/dbraw/zinc/12/89/80/388128980.db2.gz SLYNVJYABLVUBN-CQSZACIVSA-N 0 3 245.322 3.044 20 0 BGADHN COc1cc(CN(C)C2CC2)cc2ccccc21 ZINC000449011732 388128655 /nfs/dbraw/zinc/12/86/55/388128655.db2.gz UCNSBAVHLXCKSY-UHFFFAOYSA-N 0 3 241.334 3.443 20 0 BGADHN CCN(Cc1cccc(C)c1F)C1CC1 ZINC000449011742 385297874 /nfs/dbraw/zinc/29/78/74/385297874.db2.gz UFRBMJPZKRQLSB-UHFFFAOYSA-N 0 3 207.292 3.118 20 0 BGADHN CCN(Cc1ccnn1C1CCCC1)CC(C)C ZINC000449011766 388128921 /nfs/dbraw/zinc/12/89/21/388128921.db2.gz UOMZSMHVTDLITP-UHFFFAOYSA-N 0 3 249.402 3.476 20 0 BGADHN CCCN(Cc1csc(C)c1)C1CC1 ZINC000449012032 388128426 /nfs/dbraw/zinc/12/84/26/388128426.db2.gz XPJACHDFYZMUAI-UHFFFAOYSA-N 0 3 209.358 3.431 20 0 BGADHN CC(C)CN(C)Cc1ccnn1C1CCCC1 ZINC000449012070 388128139 /nfs/dbraw/zinc/12/81/39/388128139.db2.gz XZNBDFHFBNGXKS-UHFFFAOYSA-N 0 3 235.375 3.086 20 0 BGADHN CC(C)CN(Cc1ccncc1F)C(C)C ZINC000449012248 388128895 /nfs/dbraw/zinc/12/88/95/388128895.db2.gz ABPBHKOQQPJXAA-UHFFFAOYSA-N 0 3 224.323 3.087 20 0 BGADHN COCCN(Cc1csc(C)c1)CC(C)C ZINC000449012477 388128323 /nfs/dbraw/zinc/12/83/23/388128323.db2.gz CWLIKHOYUGONQZ-UHFFFAOYSA-N 0 3 241.400 3.161 20 0 BGADHN CCC(CC)CN(CC)Cc1ccncc1F ZINC000449012596 388128848 /nfs/dbraw/zinc/12/88/48/388128848.db2.gz FGACKAOVBCQUNE-UHFFFAOYSA-N 0 3 238.350 3.479 20 0 BGADHN COc1cc(C)ccc1CN(C(C)C)C1CC1 ZINC000449012933 388129702 /nfs/dbraw/zinc/12/97/02/388129702.db2.gz IQSLVQSTIPPABA-UHFFFAOYSA-N 0 3 233.355 3.376 20 0 BGADHN Cc1cc(CN(C(C)C)C2CC2)cs1 ZINC000449013078 388130103 /nfs/dbraw/zinc/13/01/03/388130103.db2.gz JMCDHFRXMSICAE-UHFFFAOYSA-N 0 3 209.358 3.429 20 0 BGADHN CCCN(Cc1ccncc1F)CC(C)C ZINC000449013201 388130360 /nfs/dbraw/zinc/13/03/60/388130360.db2.gz JZTRBOPMNSFVID-UHFFFAOYSA-N 0 3 224.323 3.089 20 0 BGADHN CC[C@@H](C)N(C)Cc1cccc(C)c1F ZINC000449013242 388129583 /nfs/dbraw/zinc/12/95/83/388129583.db2.gz KDBPFYMJYBAQSK-LLVKDONJSA-N 0 3 209.308 3.364 20 0 BGADHN CC[C@H](C)N(C)Cc1cccc(C)c1F ZINC000449013243 388130233 /nfs/dbraw/zinc/13/02/33/388130233.db2.gz KDBPFYMJYBAQSK-NSHDSACASA-N 0 3 209.308 3.364 20 0 BGADHN CCC1CCN(Cc2cc3cccnc3o2)CC1 ZINC000449013419 388129429 /nfs/dbraw/zinc/12/94/29/388129429.db2.gz CPPHIVRFVDOWDP-UHFFFAOYSA-N 0 3 244.338 3.450 20 0 BGADHN CC(C)N(Cc1ccncc1F)C1CCCC1 ZINC000449013682 388129627 /nfs/dbraw/zinc/12/96/27/388129627.db2.gz LXZBTGAUZHZGDX-UHFFFAOYSA-N 0 3 236.334 3.374 20 0 BGADHN CN(Cc1ccnn1C1CCCC1)CC(C)(C)C ZINC000449013994 388129604 /nfs/dbraw/zinc/12/96/04/388129604.db2.gz GHGMLXKMCVMCCZ-UHFFFAOYSA-N 0 3 249.402 3.476 20 0 BGADHN CC[C@@H](C)N(C)Cc1ccc(C)cc1OC ZINC000449014121 385355569 /nfs/dbraw/zinc/35/55/69/385355569.db2.gz OODKIUBIIYXYRZ-GFCCVEGCSA-N 0 3 221.344 3.234 20 0 BGADHN CC[C@H](C)N(C)Cc1ccc(C)cc1OC ZINC000449014122 385355540 /nfs/dbraw/zinc/35/55/40/385355540.db2.gz OODKIUBIIYXYRZ-LBPRGKRZSA-N 0 3 221.344 3.234 20 0 BGADHN COc1cc(F)cc(CN(C(C)C)C2CC2)c1 ZINC000449014304 388129855 /nfs/dbraw/zinc/12/98/55/388129855.db2.gz PNMRQURQLITWMS-UHFFFAOYSA-N 0 3 237.318 3.207 20 0 BGADHN CC[C@@H](C)CN(C)Cc1ccnn1C1CCCC1 ZINC000449014313 385359866 /nfs/dbraw/zinc/35/98/66/385359866.db2.gz PPIBOLQXYPEKGK-CYBMUJFWSA-N 0 3 249.402 3.476 20 0 BGADHN CC[C@H](C)CN(C)Cc1ccnn1C1CCCC1 ZINC000449014314 385359438 /nfs/dbraw/zinc/35/94/38/385359438.db2.gz PPIBOLQXYPEKGK-ZDUSSCGKSA-N 0 3 249.402 3.476 20 0 BGADHN Cc1cccc(CCN(C)Cc2ccoc2)c1 ZINC000449014765 388129537 /nfs/dbraw/zinc/12/95/37/388129537.db2.gz IYMQEKPNMWPMNG-UHFFFAOYSA-N 0 3 229.323 3.263 20 0 BGADHN C[C@H](CN1CC[C@@H](C)C1)c1cc(F)cc(F)c1 ZINC000449014932 388129500 /nfs/dbraw/zinc/12/95/00/388129500.db2.gz BBRJBBVDAIUBIQ-GHMZBOCLSA-N 0 3 239.309 3.410 20 0 BGADHN C[C@@H](CN1CC[C@@H](C)C1)c1cc(F)cc(F)c1 ZINC000449014933 388130125 /nfs/dbraw/zinc/13/01/25/388130125.db2.gz BBRJBBVDAIUBIQ-MNOVXSKESA-N 0 3 239.309 3.410 20 0 BGADHN C[C@@H](CN1CC[C@H](C)C1)c1cc(F)cc(F)c1 ZINC000449014934 388130146 /nfs/dbraw/zinc/13/01/46/388130146.db2.gz BBRJBBVDAIUBIQ-QWRGUYRKSA-N 0 3 239.309 3.410 20 0 BGADHN C[C@H](CN1CC[C@H](C)C1)c1cc(F)cc(F)c1 ZINC000449014935 388129970 /nfs/dbraw/zinc/12/99/70/388129970.db2.gz BBRJBBVDAIUBIQ-WDEREUQCSA-N 0 3 239.309 3.410 20 0 BGADHN COCCN(Cc1cccc2ccoc21)C1CC1 ZINC000449015120 388129315 /nfs/dbraw/zinc/12/93/15/388129315.db2.gz SAFHGVSHKPCVQA-UHFFFAOYSA-N 0 3 245.322 3.044 20 0 BGADHN CC[C@@H](C)N(C)Cc1ccnn1C1CCCC1 ZINC000449016000 388129938 /nfs/dbraw/zinc/12/99/38/388129938.db2.gz VAALWYVCBFBWBY-GFCCVEGCSA-N 0 3 235.375 3.229 20 0 BGADHN CC[C@H](C)N(C)Cc1ccnn1C1CCCC1 ZINC000449016001 388129959 /nfs/dbraw/zinc/12/99/59/388129959.db2.gz VAALWYVCBFBWBY-LBPRGKRZSA-N 0 3 235.375 3.229 20 0 BGADHN CC[C@@H]1CCCN1Cc1cc(F)cc(OC)c1 ZINC000449016484 388129726 /nfs/dbraw/zinc/12/97/26/388129726.db2.gz NQGHPLZCBPQIIU-CYBMUJFWSA-N 0 3 237.318 3.209 20 0 BGADHN CC[C@H]1CCCN1Cc1cc(F)cc(OC)c1 ZINC000449016485 388129601 /nfs/dbraw/zinc/12/96/01/388129601.db2.gz NQGHPLZCBPQIIU-ZDUSSCGKSA-N 0 3 237.318 3.209 20 0 BGADHN Cc1cccc(CN(C)[C@H](C)C2CC2)c1F ZINC000449016800 388129732 /nfs/dbraw/zinc/12/97/32/388129732.db2.gz XIJUCPOVECWPSL-LLVKDONJSA-N 0 3 221.319 3.364 20 0 BGADHN Cc1cccc(CN(C)[C@@H](C)C2CC2)c1F ZINC000449016801 388130014 /nfs/dbraw/zinc/13/00/14/388130014.db2.gz XIJUCPOVECWPSL-NSHDSACASA-N 0 3 221.319 3.364 20 0 BGADHN COc1cc(F)cc(CN2CCCC2(C)C)c1 ZINC000449016907 388129718 /nfs/dbraw/zinc/12/97/18/388129718.db2.gz IUSFUDZZABNYMJ-UHFFFAOYSA-N 0 3 237.318 3.209 20 0 BGADHN Cc1cccc(CCN(C)CCC(F)(F)F)c1 ZINC000449017086 388130920 /nfs/dbraw/zinc/13/09/20/388130920.db2.gz GUWWNODGSOYYCX-UHFFFAOYSA-N 0 3 245.288 3.422 20 0 BGADHN C[C@H](C1CC1)N(C)Cc1ccnn1C1CCCC1 ZINC000449017334 388130712 /nfs/dbraw/zinc/13/07/12/388130712.db2.gz YLQZHYZQKSATBZ-GFCCVEGCSA-N 0 3 247.386 3.229 20 0 BGADHN C[C@@H](C1CC1)N(C)Cc1ccnn1C1CCCC1 ZINC000449017335 388130571 /nfs/dbraw/zinc/13/05/71/388130571.db2.gz YLQZHYZQKSATBZ-LBPRGKRZSA-N 0 3 247.386 3.229 20 0 BGADHN CC1(C)CCCN(Cc2cc3cccnc3o2)C1 ZINC000449017832 388130859 /nfs/dbraw/zinc/13/08/59/388130859.db2.gz RAKLUSJBZZKFDU-UHFFFAOYSA-N 0 3 244.338 3.450 20 0 BGADHN CC[C@@H]1CCCN1Cc1ccnn1C1CCCC1 ZINC000449018531 388130640 /nfs/dbraw/zinc/13/06/40/388130640.db2.gz SQCQYDVGMOQIQO-CYBMUJFWSA-N 0 3 247.386 3.373 20 0 BGADHN CC[C@H]1CCCN1Cc1ccnn1C1CCCC1 ZINC000449018532 388130970 /nfs/dbraw/zinc/13/09/70/388130970.db2.gz SQCQYDVGMOQIQO-ZDUSSCGKSA-N 0 3 247.386 3.373 20 0 BGADHN CCN(Cc1ccncc1F)[C@H](C)C(C)C ZINC000449018712 388130488 /nfs/dbraw/zinc/13/04/88/388130488.db2.gz KTXBHUYDWVQKLD-LLVKDONJSA-N 0 3 224.323 3.087 20 0 BGADHN CCN(Cc1ccncc1F)[C@@H](C)C(C)C ZINC000449018713 388130586 /nfs/dbraw/zinc/13/05/86/388130586.db2.gz KTXBHUYDWVQKLD-NSHDSACASA-N 0 3 224.323 3.087 20 0 BGADHN Cc1cccc(CCN(C)C[C@@H]2CCCCO2)c1 ZINC000449019510 491078970 /nfs/dbraw/zinc/07/89/70/491078970.db2.gz NBVYKOHDOAJUBK-INIZCTEOSA-N 0 3 247.382 3.038 20 0 BGADHN Cc1cccc(CCN(C)C[C@H]2CCCCO2)c1 ZINC000449019511 491078966 /nfs/dbraw/zinc/07/89/66/491078966.db2.gz NBVYKOHDOAJUBK-MRXNPFEDSA-N 0 3 247.382 3.038 20 0 BGADHN CC1(C)CCCN1Cc1ccnn1C1CCCC1 ZINC000449019683 256781638 /nfs/dbraw/zinc/78/16/38/256781638.db2.gz SJYHTRVBNTWSSW-UHFFFAOYSA-N 0 3 247.386 3.373 20 0 BGADHN Fc1cnccc1CN1CCC[C@H]1C1CCCC1 ZINC000449019703 491078992 /nfs/dbraw/zinc/07/89/92/491078992.db2.gz WYMDCCMGLUUEGZ-HNNXBMFYSA-N 0 3 248.345 3.375 20 0 BGADHN Fc1cnccc1CN1CCC[C@@H]1C1CCCC1 ZINC000449019704 491078962 /nfs/dbraw/zinc/07/89/62/491078962.db2.gz WYMDCCMGLUUEGZ-OAHLLOKOSA-N 0 3 248.345 3.375 20 0 BGADHN Fc1cnccc1CN1CCC2(CCCC2)CC1 ZINC000449020733 397950830 /nfs/dbraw/zinc/95/08/30/397950830.db2.gz AAPHCAHTPDOCFB-UHFFFAOYSA-N 0 3 248.345 3.377 20 0 BGADHN CC1(C)CCN(Cc2cc3cccnc3o2)CC1 ZINC000449022942 388131808 /nfs/dbraw/zinc/13/18/08/388131808.db2.gz MAFRIPCTMOSQQI-UHFFFAOYSA-N 0 3 244.338 3.450 20 0 BGADHN CC(C)(C)[C@H]1CCCN1Cc1ccncc1F ZINC000449023895 385401010 /nfs/dbraw/zinc/40/10/10/385401010.db2.gz VYLPKCXYZMWAFF-CYBMUJFWSA-N 0 3 236.334 3.231 20 0 BGADHN CC(C)(C)[C@@H]1CCCN1Cc1ccncc1F ZINC000449023896 385400546 /nfs/dbraw/zinc/40/05/46/385400546.db2.gz VYLPKCXYZMWAFF-ZDUSSCGKSA-N 0 3 236.334 3.231 20 0 BGADHN C[C@@H]1CN(Cc2cccc3ccoc32)CCS1 ZINC000449024045 388131268 /nfs/dbraw/zinc/13/12/68/388131268.db2.gz XNEGDWUCEIAJKG-LLVKDONJSA-N 0 3 247.363 3.370 20 0 BGADHN C[C@H]1CN(Cc2cccc3ccoc32)CCS1 ZINC000449024046 388132136 /nfs/dbraw/zinc/13/21/36/388132136.db2.gz XNEGDWUCEIAJKG-NSHDSACASA-N 0 3 247.363 3.370 20 0 BGADHN COc1cc(C)ccc1CN1CC=C(C)CC1 ZINC000449025368 385418203 /nfs/dbraw/zinc/41/82/03/385418203.db2.gz BSPSUVWAFZYUIW-UHFFFAOYSA-N 0 3 231.339 3.156 20 0 BGADHN Cc1cccc(CN(C)C2CCC2)c1F ZINC000449025651 385415106 /nfs/dbraw/zinc/41/51/06/385415106.db2.gz COBGPYJXFZRNSL-UHFFFAOYSA-N 0 3 207.292 3.118 20 0 BGADHN CO[C@H](C)CN(Cc1csc(C)c1)C(C)C ZINC000449025730 206095412 /nfs/dbraw/zinc/09/54/12/206095412.db2.gz CPDHRFKWGAVJAK-LLVKDONJSA-N 0 3 241.400 3.302 20 0 BGADHN CO[C@@H](C)CN(Cc1csc(C)c1)C(C)C ZINC000449025731 206095335 /nfs/dbraw/zinc/09/53/35/206095335.db2.gz CPDHRFKWGAVJAK-NSHDSACASA-N 0 3 241.400 3.302 20 0 BGADHN C[C@H]1CN(Cc2ccnn2C2CCCC2)C[C@H]1C ZINC000449025975 206095543 /nfs/dbraw/zinc/09/55/43/206095543.db2.gz DSQNFVOMGZHHRN-BETUJISGSA-N 0 3 247.386 3.086 20 0 BGADHN C[C@@H]1CN(Cc2ccnn2C2CCCC2)C[C@H]1C ZINC000449025976 206095433 /nfs/dbraw/zinc/09/54/33/206095433.db2.gz DSQNFVOMGZHHRN-CHWSQXEVSA-N 0 3 247.386 3.086 20 0 BGADHN C[C@H]1CN(Cc2ccnn2C2CCCC2)C[C@@H]1C ZINC000449025977 385416632 /nfs/dbraw/zinc/41/66/32/385416632.db2.gz DSQNFVOMGZHHRN-STQMWFEESA-N 0 3 247.386 3.086 20 0 BGADHN CC1(C)CCCN(Cc2ccncc2F)CC1 ZINC000449025989 206095751 /nfs/dbraw/zinc/09/57/51/206095751.db2.gz DBWXPLBPXKSWDF-UHFFFAOYSA-N 0 3 236.334 3.233 20 0 BGADHN CC[C@@H]1CN(Cc2csc(C)c2)CCS1 ZINC000449026184 388131994 /nfs/dbraw/zinc/13/19/94/388131994.db2.gz FJBHLBHFGCDLGM-GFCCVEGCSA-N 0 3 241.425 3.384 20 0 BGADHN CC[C@H]1CN(Cc2csc(C)c2)CCS1 ZINC000449026185 206095570 /nfs/dbraw/zinc/09/55/70/206095570.db2.gz FJBHLBHFGCDLGM-LBPRGKRZSA-N 0 3 241.425 3.384 20 0 BGADHN Cc1cccc(CN2CCC[C@H]2C)c1F ZINC000449026332 388131309 /nfs/dbraw/zinc/13/13/09/388131309.db2.gz JBBJCIWWWIOKMJ-LLVKDONJSA-N 0 3 207.292 3.118 20 0 BGADHN Cc1cccc(CN2CCC[C@@H]2C)c1F ZINC000449026333 388131436 /nfs/dbraw/zinc/13/14/36/388131436.db2.gz JBBJCIWWWIOKMJ-NSHDSACASA-N 0 3 207.292 3.118 20 0 BGADHN CC[C@@H]1CCCCCN1Cc1ccncc1F ZINC000449026447 388131202 /nfs/dbraw/zinc/13/12/02/388131202.db2.gz GBYSREVQRYYLKA-CYBMUJFWSA-N 0 3 236.334 3.375 20 0 BGADHN CC[C@H]1CCCCCN1Cc1ccncc1F ZINC000449026448 388131537 /nfs/dbraw/zinc/13/15/37/388131537.db2.gz GBYSREVQRYYLKA-ZDUSSCGKSA-N 0 3 236.334 3.375 20 0 BGADHN COc1cc(F)cc(CN2C[C@H](C)C[C@H]2C)c1 ZINC000449027357 388131213 /nfs/dbraw/zinc/13/12/13/388131213.db2.gz IAHXZOVHPRZYQP-GHMZBOCLSA-N 0 3 237.318 3.065 20 0 BGADHN COc1cc(F)cc(CN2C[C@H](C)C[C@@H]2C)c1 ZINC000449027359 388132210 /nfs/dbraw/zinc/13/22/10/388132210.db2.gz IAHXZOVHPRZYQP-MNOVXSKESA-N 0 3 237.318 3.065 20 0 BGADHN COc1cc(F)cc(CN2C[C@@H](C)C[C@@H]2C)c1 ZINC000449027361 388131952 /nfs/dbraw/zinc/13/19/52/388131952.db2.gz IAHXZOVHPRZYQP-QWRGUYRKSA-N 0 3 237.318 3.065 20 0 BGADHN COc1cc(F)cc(CN2C[C@@H](C)C[C@H]2C)c1 ZINC000449027363 388131632 /nfs/dbraw/zinc/13/16/32/388131632.db2.gz IAHXZOVHPRZYQP-WDEREUQCSA-N 0 3 237.318 3.065 20 0 BGADHN CC(C)C[C@H]1CCN(Cc2ccncc2F)C1 ZINC000449028047 388131609 /nfs/dbraw/zinc/13/16/09/388131609.db2.gz NJIQAUXGIRJRST-GFCCVEGCSA-N 0 3 236.334 3.089 20 0 BGADHN CC(C)C[C@@H]1CCN(Cc2ccncc2F)C1 ZINC000449028048 388132187 /nfs/dbraw/zinc/13/21/87/388132187.db2.gz NJIQAUXGIRJRST-LBPRGKRZSA-N 0 3 236.334 3.089 20 0 BGADHN Cc1cc(CN2CCSC(C)(C)C2)cs1 ZINC000449028090 388131569 /nfs/dbraw/zinc/13/15/69/388131569.db2.gz KPUMJIGEEMCRPJ-UHFFFAOYSA-N 0 3 241.425 3.384 20 0 BGADHN CCN(Cc1ccc(C)cc1OC)C1CCC1 ZINC000449028475 388132476 /nfs/dbraw/zinc/13/24/76/388132476.db2.gz LUUGSNAOJSQVOP-UHFFFAOYSA-N 0 3 233.355 3.378 20 0 BGADHN CCCCN(CCOC)Cc1csc(C)c1 ZINC000449028856 385428122 /nfs/dbraw/zinc/42/81/22/385428122.db2.gz PKGHAYVYHFDTKD-UHFFFAOYSA-N 0 3 241.400 3.305 20 0 BGADHN Cc1cc(CN2CCS[C@H](C)[C@H]2C)cs1 ZINC000449029495 388133115 /nfs/dbraw/zinc/13/31/15/388133115.db2.gz OPMPSKQUDYQCKA-GHMZBOCLSA-N 0 3 241.425 3.382 20 0 BGADHN Cc1cc(CN2CCS[C@@H](C)[C@H]2C)cs1 ZINC000449029496 388133289 /nfs/dbraw/zinc/13/32/89/388133289.db2.gz OPMPSKQUDYQCKA-MNOVXSKESA-N 0 3 241.425 3.382 20 0 BGADHN Cc1cc(CN2CCS[C@@H](C)[C@@H]2C)cs1 ZINC000449029497 388133266 /nfs/dbraw/zinc/13/32/66/388133266.db2.gz OPMPSKQUDYQCKA-QWRGUYRKSA-N 0 3 241.425 3.382 20 0 BGADHN Cc1cc(CN2CCS[C@H](C)[C@@H]2C)cs1 ZINC000449029499 388132549 /nfs/dbraw/zinc/13/25/49/388132549.db2.gz OPMPSKQUDYQCKA-WDEREUQCSA-N 0 3 241.425 3.382 20 0 BGADHN Cc1cccc(CN2CCC23CCC3)c1F ZINC000449029695 388133000 /nfs/dbraw/zinc/13/30/00/388133000.db2.gz PIKWWKZZVUKBLR-UHFFFAOYSA-N 0 3 219.303 3.263 20 0 BGADHN C[C@@H]1CCC[C@H](C)N(Cc2ccncc2F)C1 ZINC000449030591 385430582 /nfs/dbraw/zinc/43/05/82/385430582.db2.gz SCOCEHOJHSGYCM-NEPJUHHUSA-N 0 3 236.334 3.231 20 0 BGADHN C[C@@H]1CCC[C@H](C)CN1Cc1ccncc1F ZINC000449030593 385431230 /nfs/dbraw/zinc/43/12/30/385431230.db2.gz SCOCEHOJHSGYCM-NWDGAFQWSA-N 0 3 236.334 3.231 20 0 BGADHN C[C@H]1CCC[C@H](C)N(Cc2ccncc2F)C1 ZINC000449030595 385430485 /nfs/dbraw/zinc/43/04/85/385430485.db2.gz SCOCEHOJHSGYCM-RYUDHWBXSA-N 0 3 236.334 3.231 20 0 BGADHN C[C@@H]1CCC[C@@H](C)N(Cc2ccncc2F)C1 ZINC000449030599 385430349 /nfs/dbraw/zinc/43/03/49/385430349.db2.gz SCOCEHOJHSGYCM-VXGBXAGGSA-N 0 3 236.334 3.231 20 0 BGADHN C[C@@H]1C[C@@H](C)N(Cc2ccnn2C2CCCC2)C1 ZINC000449030668 388133148 /nfs/dbraw/zinc/13/31/48/388133148.db2.gz SGLYJYRJZLECFB-CHWSQXEVSA-N 0 3 247.386 3.229 20 0 BGADHN C[C@@H]1C[C@H](C)N(Cc2ccnn2C2CCCC2)C1 ZINC000449030670 206095348 /nfs/dbraw/zinc/09/53/48/206095348.db2.gz SGLYJYRJZLECFB-OLZOCXBDSA-N 0 3 247.386 3.229 20 0 BGADHN C[C@@H]1C[C@H](C)CN1Cc1ccnn1C1CCCC1 ZINC000449030671 385430546 /nfs/dbraw/zinc/43/05/46/385430546.db2.gz SGLYJYRJZLECFB-QWHCGFSZSA-N 0 3 247.386 3.229 20 0 BGADHN C[C@H]1C[C@H](C)N(Cc2ccnn2C2CCCC2)C1 ZINC000449030680 385430467 /nfs/dbraw/zinc/43/04/67/385430467.db2.gz SGLYJYRJZLECFB-STQMWFEESA-N 0 3 247.386 3.229 20 0 BGADHN Cc1cccc(CCN(C)Cc2cccn2C)c1 ZINC000449031006 206095449 /nfs/dbraw/zinc/09/54/49/206095449.db2.gz SVWWUKDBENPTQI-UHFFFAOYSA-N 0 3 242.366 3.008 20 0 BGADHN Cc1cc(CN2CC=C(C)CC2)cs1 ZINC000449031032 206095256 /nfs/dbraw/zinc/09/52/56/206095256.db2.gz TVSNYNKURCWBOA-UHFFFAOYSA-N 0 3 207.342 3.209 20 0 BGADHN Fc1cnccc1CN1CCC2(C1)CCCCC2 ZINC000449031115 388133008 /nfs/dbraw/zinc/13/30/08/388133008.db2.gz UGGJNOUABAFPKB-UHFFFAOYSA-N 0 3 248.345 3.377 20 0 BGADHN COc1cc(C)ccc1CN1CCC12CCC2 ZINC000449031149 388132855 /nfs/dbraw/zinc/13/28/55/388132855.db2.gz UNVIVNWJYJUHKT-UHFFFAOYSA-N 0 3 231.339 3.132 20 0 BGADHN CCN(Cc1ccnn1C1CCCC1)C1CCC1 ZINC000449031499 385432481 /nfs/dbraw/zinc/43/24/81/385432481.db2.gz VMICIZVUHKCBDM-UHFFFAOYSA-N 0 3 247.386 3.373 20 0 BGADHN CC[C@@H]1CCCN(Cc2ccncc2F)CC1 ZINC000449031510 206095474 /nfs/dbraw/zinc/09/54/74/206095474.db2.gz VOBLOBNGLDRGPQ-GFCCVEGCSA-N 0 3 236.334 3.233 20 0 BGADHN CC[C@H]1CCCN(Cc2ccncc2F)CC1 ZINC000449031511 388132861 /nfs/dbraw/zinc/13/28/61/388132861.db2.gz VOBLOBNGLDRGPQ-LBPRGKRZSA-N 0 3 236.334 3.233 20 0 BGADHN CCN(Cc1cc(F)cc(OC)c1)C1CCC1 ZINC000449032812 388133349 /nfs/dbraw/zinc/13/33/49/388133349.db2.gz ZLJXBOQKDDTDCV-UHFFFAOYSA-N 0 3 237.318 3.209 20 0 BGADHN COc1cc(F)cc(CN2CCC(C)(C)C2)c1 ZINC000449032901 388133359 /nfs/dbraw/zinc/13/33/59/388133359.db2.gz BCXONRRBMJHDCM-UHFFFAOYSA-N 0 3 237.318 3.066 20 0 BGADHN Cc1cc(CN2CCC23CCC3)cs1 ZINC000449033194 388132948 /nfs/dbraw/zinc/13/29/48/388132948.db2.gz YWKYGPDJDDEMKH-UHFFFAOYSA-N 0 3 207.342 3.185 20 0 BGADHN COc1cc(C)ccc1CN1CCC2(CCC2)C1 ZINC000449033554 385438376 /nfs/dbraw/zinc/43/83/76/385438376.db2.gz DWOMTHRIMVZHCN-UHFFFAOYSA-N 0 3 245.366 3.380 20 0 BGADHN COc1cc(F)cc(CN2CCC3(CCC3)C2)c1 ZINC000449034019 385440423 /nfs/dbraw/zinc/44/04/23/385440423.db2.gz HLFBTWPFRHKBMA-UHFFFAOYSA-N 0 3 249.329 3.210 20 0 BGADHN COc1cc(F)cc(CN2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000449035040 388133401 /nfs/dbraw/zinc/13/34/01/388133401.db2.gz MGGMEIWNRINKCT-BETUJISGSA-N 0 3 249.329 3.066 20 0 BGADHN COc1cc(F)cc(CN2C[C@H]3CCC[C@@H]3C2)c1 ZINC000449035041 388133323 /nfs/dbraw/zinc/13/33/23/388133323.db2.gz MGGMEIWNRINKCT-CHWSQXEVSA-N 0 3 249.329 3.066 20 0 BGADHN COc1cc(F)cc(CN2C[C@@H]3CCC[C@H]3C2)c1 ZINC000449035042 388132718 /nfs/dbraw/zinc/13/27/18/388132718.db2.gz MGGMEIWNRINKCT-STQMWFEESA-N 0 3 249.329 3.066 20 0 BGADHN CC1(C)CCN(Cc2ccnn2C2CCCC2)C1 ZINC000449035306 201790500 /nfs/dbraw/zinc/79/05/00/201790500.db2.gz NUQQPUKSUQFHLH-UHFFFAOYSA-N 0 3 247.386 3.230 20 0 BGADHN C[C@@H]1CSCCN1Cc1cccc2ccoc21 ZINC000449035768 385442671 /nfs/dbraw/zinc/44/26/71/385442671.db2.gz QAFOPFQRYXBKFJ-LLVKDONJSA-N 0 3 247.363 3.370 20 0 BGADHN C[C@H]1CSCCN1Cc1cccc2ccoc21 ZINC000449035769 385442881 /nfs/dbraw/zinc/44/28/81/385442881.db2.gz QAFOPFQRYXBKFJ-NSHDSACASA-N 0 3 247.363 3.370 20 0 BGADHN COc1cc(F)cc(CN2CC[C@@H](C3CC3)C2)c1 ZINC000449036415 388134067 /nfs/dbraw/zinc/13/40/67/388134067.db2.gz JTTKXJAUAQXKGC-CYBMUJFWSA-N 0 3 249.329 3.066 20 0 BGADHN COc1cc(F)cc(CN2CC[C@H](C3CC3)C2)c1 ZINC000449036416 388134438 /nfs/dbraw/zinc/13/44/38/388134438.db2.gz JTTKXJAUAQXKGC-ZDUSSCGKSA-N 0 3 249.329 3.066 20 0 BGADHN CC[C@@]1(C)CCN(Cc2cc3cccnc3o2)C1 ZINC000449036614 397756534 /nfs/dbraw/zinc/75/65/34/397756534.db2.gz KPPFDJPARXMWDO-HNNXBMFYSA-N 0 3 244.338 3.450 20 0 BGADHN CC[C@]1(C)CCN(Cc2cc3cccnc3o2)C1 ZINC000449036617 397756662 /nfs/dbraw/zinc/75/66/62/397756662.db2.gz KPPFDJPARXMWDO-OAHLLOKOSA-N 0 3 244.338 3.450 20 0 BGADHN CCC1(CC)CCN(Cc2ccncc2F)C1 ZINC000449036694 388133894 /nfs/dbraw/zinc/13/38/94/388133894.db2.gz VEUMPJXTEGGSAJ-UHFFFAOYSA-N 0 3 236.334 3.233 20 0 BGADHN CCN(Cc1ccnn1C1CCCC1)CC1CC1 ZINC000449036831 388133857 /nfs/dbraw/zinc/13/38/57/388133857.db2.gz WAHXUXBSBCJJOJ-UHFFFAOYSA-N 0 3 247.386 3.230 20 0 BGADHN C[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1ccncc1F ZINC000449036978 388134303 /nfs/dbraw/zinc/13/43/03/388134303.db2.gz WQHSIMYWNTWGDS-JMSVASOKSA-N 0 3 248.345 3.374 20 0 BGADHN C[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1ccncc1F ZINC000449036979 388134277 /nfs/dbraw/zinc/13/42/77/388134277.db2.gz WQHSIMYWNTWGDS-LALPHHSUSA-N 0 3 248.345 3.374 20 0 BGADHN C[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1ccncc1F ZINC000449036980 388134317 /nfs/dbraw/zinc/13/43/17/388134317.db2.gz WQHSIMYWNTWGDS-TYNCELHUSA-N 0 3 248.345 3.374 20 0 BGADHN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1ccncc1F ZINC000449036981 388133906 /nfs/dbraw/zinc/13/39/06/388133906.db2.gz WQHSIMYWNTWGDS-XUJVJEKNSA-N 0 3 248.345 3.374 20 0 BGADHN CC(C)[C@@H]1CCCCN1Cc1ccncc1F ZINC000449037203 388134137 /nfs/dbraw/zinc/13/41/37/388134137.db2.gz XQGOQBUBPRNXRG-AWEZNQCLSA-N 0 3 236.334 3.231 20 0 BGADHN CC(C)[C@H]1CCCCN1Cc1ccncc1F ZINC000449037204 388133795 /nfs/dbraw/zinc/13/37/95/388133795.db2.gz XQGOQBUBPRNXRG-CQSZACIVSA-N 0 3 236.334 3.231 20 0 BGADHN CC[C@@H](C)CN(CC)Cc1ccncc1F ZINC000449039207 388134604 /nfs/dbraw/zinc/13/46/04/388134604.db2.gz YKODJZAKUGLFTJ-LLVKDONJSA-N 0 3 224.323 3.089 20 0 BGADHN CC[C@H](C)CN(CC)Cc1ccncc1F ZINC000449039208 388133863 /nfs/dbraw/zinc/13/38/63/388133863.db2.gz YKODJZAKUGLFTJ-NSHDSACASA-N 0 3 224.323 3.089 20 0 BGADHN C[C@]1(F)CCN(Cc2cccc3ccoc32)C1 ZINC000449041425 385446564 /nfs/dbraw/zinc/44/65/64/385446564.db2.gz MVPLLCFZEUBARO-AWEZNQCLSA-N 0 3 233.286 3.367 20 0 BGADHN C[C@@]1(F)CCN(Cc2cccc3ccoc32)C1 ZINC000449041429 385446700 /nfs/dbraw/zinc/44/67/00/385446700.db2.gz MVPLLCFZEUBARO-CQSZACIVSA-N 0 3 233.286 3.367 20 0 BGADHN Cc1cccc(CN2CCCCC2)c1F ZINC000449041899 388134783 /nfs/dbraw/zinc/13/47/83/388134783.db2.gz PBGNOBFSPBJPQT-UHFFFAOYSA-N 0 3 207.292 3.120 20 0 BGADHN COc1cc(F)cc(CN2[C@H](C)CC[C@H]2C)c1 ZINC000449043922 385456499 /nfs/dbraw/zinc/45/64/99/385456499.db2.gz ANOLKCRGNZGCKK-GHMZBOCLSA-N 0 3 237.318 3.207 20 0 BGADHN COc1cc(F)cc(CN2[C@H](C)CC[C@@H]2C)c1 ZINC000449043923 385457116 /nfs/dbraw/zinc/45/71/16/385457116.db2.gz ANOLKCRGNZGCKK-PHIMTYICSA-N 0 3 237.318 3.207 20 0 BGADHN COc1cc(F)cc(CN2[C@@H](C)CC[C@@H]2C)c1 ZINC000449043924 385456988 /nfs/dbraw/zinc/45/69/88/385456988.db2.gz ANOLKCRGNZGCKK-QWRGUYRKSA-N 0 3 237.318 3.207 20 0 BGADHN C[C@@H]1CC[C@H](C)N1Cc1ccnn1C1CCCC1 ZINC000449043981 388134835 /nfs/dbraw/zinc/13/48/35/388134835.db2.gz AYIMKXGGUGITAE-BETUJISGSA-N 0 3 247.386 3.371 20 0 BGADHN C[C@@H]1CC[C@@H](C)N1Cc1ccnn1C1CCCC1 ZINC000449043982 388135216 /nfs/dbraw/zinc/13/52/16/388135216.db2.gz AYIMKXGGUGITAE-CHWSQXEVSA-N 0 3 247.386 3.371 20 0 BGADHN C[C@H]1CC[C@H](C)N1Cc1ccnn1C1CCCC1 ZINC000449043983 388135082 /nfs/dbraw/zinc/13/50/82/388135082.db2.gz AYIMKXGGUGITAE-STQMWFEESA-N 0 3 247.386 3.371 20 0 BGADHN Cc1cc(CN(C)CCC2CC2)cs1 ZINC000449044022 385456783 /nfs/dbraw/zinc/45/67/83/385456783.db2.gz BCUSIONZDXXFIV-UHFFFAOYSA-N 0 3 209.358 3.288 20 0 BGADHN CC[C@@H]1CCN(Cc2ccnn2C2CCCC2)C1 ZINC000449044603 385456477 /nfs/dbraw/zinc/45/64/77/385456477.db2.gz FDRDJYJHEIDSRU-CYBMUJFWSA-N 0 3 247.386 3.230 20 0 BGADHN CC[C@H]1CCN(Cc2ccnn2C2CCCC2)C1 ZINC000449044604 385455987 /nfs/dbraw/zinc/45/59/87/385455987.db2.gz FDRDJYJHEIDSRU-ZDUSSCGKSA-N 0 3 247.386 3.230 20 0 BGADHN COc1cc(C)ccc1CN(C)CCC1CC1 ZINC000449046528 388135987 /nfs/dbraw/zinc/13/59/87/388135987.db2.gz LMAWLGCQXHUWDN-UHFFFAOYSA-N 0 3 233.355 3.236 20 0 BGADHN COc1cc(F)cc(CN2CC[C@@H](C)[C@H]2C)c1 ZINC000449047360 388136081 /nfs/dbraw/zinc/13/60/81/388136081.db2.gz NFCCROKVWFMMJA-GHMZBOCLSA-N 0 3 237.318 3.065 20 0 BGADHN COc1cc(F)cc(CN2CC[C@@H](C)[C@@H]2C)c1 ZINC000449047361 388135963 /nfs/dbraw/zinc/13/59/63/388135963.db2.gz NFCCROKVWFMMJA-MNOVXSKESA-N 0 3 237.318 3.065 20 0 BGADHN COc1cc(F)cc(CN2CC[C@H](C)[C@@H]2C)c1 ZINC000449047362 388135943 /nfs/dbraw/zinc/13/59/43/388135943.db2.gz NFCCROKVWFMMJA-QWRGUYRKSA-N 0 3 237.318 3.065 20 0 BGADHN COc1cc(F)cc(CN2CC[C@H](C)[C@H]2C)c1 ZINC000449047363 388136201 /nfs/dbraw/zinc/13/62/01/388136201.db2.gz NFCCROKVWFMMJA-WDEREUQCSA-N 0 3 237.318 3.065 20 0 BGADHN CC[C@@H]1CCN(Cc2cc(F)cc(OC)c2)C1 ZINC000449049248 388136070 /nfs/dbraw/zinc/13/60/70/388136070.db2.gz RJTNALQASWBUES-LLVKDONJSA-N 0 3 237.318 3.066 20 0 BGADHN CC[C@H]1CCN(Cc2cc(F)cc(OC)c2)C1 ZINC000449049250 388136256 /nfs/dbraw/zinc/13/62/56/388136256.db2.gz RJTNALQASWBUES-NSHDSACASA-N 0 3 237.318 3.066 20 0 BGADHN CN(CCC1CC1)Cc1ccnn1C1CCCC1 ZINC000449050296 388136094 /nfs/dbraw/zinc/13/60/94/388136094.db2.gz UHBONOLXLXNMNS-UHFFFAOYSA-N 0 3 247.386 3.230 20 0 BGADHN C[C@@H]1CCN(Cc2ccnn2C2CCCC2)[C@@H]1C ZINC000449050668 388135673 /nfs/dbraw/zinc/13/56/73/388135673.db2.gz VNIDYOTWCRZZSK-CHWSQXEVSA-N 0 3 247.386 3.229 20 0 BGADHN C[C@@H]1CCN(Cc2ccnn2C2CCCC2)[C@H]1C ZINC000449050669 388136195 /nfs/dbraw/zinc/13/61/95/388136195.db2.gz VNIDYOTWCRZZSK-OLZOCXBDSA-N 0 3 247.386 3.229 20 0 BGADHN C[C@@H]1[C@@H](C)CCN1Cc1ccnn1C1CCCC1 ZINC000449050670 388135956 /nfs/dbraw/zinc/13/59/56/388135956.db2.gz VNIDYOTWCRZZSK-QWHCGFSZSA-N 0 3 247.386 3.229 20 0 BGADHN C[C@H]1CCN(Cc2ccnn2C2CCCC2)[C@H]1C ZINC000449050671 388135851 /nfs/dbraw/zinc/13/58/51/388135851.db2.gz VNIDYOTWCRZZSK-STQMWFEESA-N 0 3 247.386 3.229 20 0 BGADHN C[C@@H]1CCN(Cc2ccncc2F)C[C@@H](C)C1 ZINC000449051935 388135916 /nfs/dbraw/zinc/13/59/16/388135916.db2.gz YHFQKJQEWCZPBX-NEPJUHHUSA-N 0 3 236.334 3.089 20 0 BGADHN C[C@H]1CCN(Cc2ccncc2F)C[C@H](C)C1 ZINC000449051936 388136312 /nfs/dbraw/zinc/13/63/12/388136312.db2.gz YHFQKJQEWCZPBX-NWDGAFQWSA-N 0 3 236.334 3.089 20 0 BGADHN C[C@H]1CCN(Cc2ccncc2F)C[C@@H](C)C1 ZINC000449051937 388135974 /nfs/dbraw/zinc/13/59/74/388135974.db2.gz YHFQKJQEWCZPBX-RYUDHWBXSA-N 0 3 236.334 3.089 20 0 BGADHN C[C@@H]1C[C@H](C)CCN(Cc2ccncc2F)C1 ZINC000449051938 388135784 /nfs/dbraw/zinc/13/57/84/388135784.db2.gz YHFQKJQEWCZPBX-VXGBXAGGSA-N 0 3 236.334 3.089 20 0 BGADHN COc1cc(F)cc(CN(C)CCC2CC2)c1 ZINC000449052591 388136218 /nfs/dbraw/zinc/13/62/18/388136218.db2.gz ZQDXUBSERSAIIQ-UHFFFAOYSA-N 0 3 237.318 3.066 20 0 BGADHN Fc1cnccc1CNCCCC1CCCC1 ZINC000449057916 398274582 /nfs/dbraw/zinc/27/45/82/398274582.db2.gz FJLQDRUXQAINIE-UHFFFAOYSA-N 0 3 236.334 3.281 20 0 BGADHN COc1cc(C)ccc1CN1CC[C@H]1C(C)C ZINC000449058440 388136541 /nfs/dbraw/zinc/13/65/41/388136541.db2.gz JDYJULZJWALCDJ-AWEZNQCLSA-N 0 3 233.355 3.234 20 0 BGADHN COc1cc(C)ccc1CN1CC[C@@H]1C(C)C ZINC000449058441 388136834 /nfs/dbraw/zinc/13/68/34/388136834.db2.gz JDYJULZJWALCDJ-CQSZACIVSA-N 0 3 233.355 3.234 20 0 BGADHN Cc1cc(CN2CC[C@@H]2C(C)C)cs1 ZINC000449058526 388136534 /nfs/dbraw/zinc/13/65/34/388136534.db2.gz KBFNHFZFNRFGJU-GFCCVEGCSA-N 0 3 209.358 3.287 20 0 BGADHN Cc1cc(CN2CC[C@H]2C(C)C)cs1 ZINC000449058527 388136818 /nfs/dbraw/zinc/13/68/18/388136818.db2.gz KBFNHFZFNRFGJU-LBPRGKRZSA-N 0 3 209.358 3.287 20 0 BGADHN COCC1CCC(N[C@@H](C)c2ccco2)CC1 ZINC000449059659 388136668 /nfs/dbraw/zinc/13/66/68/388136668.db2.gz COXPLGUKAVFIDU-HIFPTAJRSA-N 0 3 237.343 3.135 20 0 BGADHN COCC1CCC(N[C@H](C)c2ccco2)CC1 ZINC000449059660 388136537 /nfs/dbraw/zinc/13/65/37/388136537.db2.gz COXPLGUKAVFIDU-PNESKVBLSA-N 0 3 237.343 3.135 20 0 BGADHN C[C@H](CNCc1ccncc1F)c1ccccc1 ZINC000449059695 398274519 /nfs/dbraw/zinc/27/45/19/398274519.db2.gz BDBSQAGPCJWVET-GFCCVEGCSA-N 0 3 244.313 3.114 20 0 BGADHN C[C@@H](CNCc1ccncc1F)c1ccccc1 ZINC000449059696 398274545 /nfs/dbraw/zinc/27/45/45/398274545.db2.gz BDBSQAGPCJWVET-LBPRGKRZSA-N 0 3 244.313 3.114 20 0 BGADHN CC[C@@H](C)N[C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449059737 201800834 /nfs/dbraw/zinc/80/08/34/201800834.db2.gz BLTDGFJEGSCJNW-GMSGAONNSA-N 0 3 243.272 3.479 20 0 BGADHN CC[C@H](C)N[C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449059738 388136907 /nfs/dbraw/zinc/13/69/07/388136907.db2.gz BLTDGFJEGSCJNW-OIBJUYFYSA-N 0 3 243.272 3.479 20 0 BGADHN CC[C@@H](C)N[C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449059739 388136883 /nfs/dbraw/zinc/13/68/83/388136883.db2.gz BLTDGFJEGSCJNW-XCBNKYQSSA-N 0 3 243.272 3.479 20 0 BGADHN CC[C@H](C)N[C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449059740 388136395 /nfs/dbraw/zinc/13/63/95/388136395.db2.gz BLTDGFJEGSCJNW-XVKPBYJWSA-N 0 3 243.272 3.479 20 0 BGADHN CC(C)CN[C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449060321 388137629 /nfs/dbraw/zinc/13/76/29/388137629.db2.gz CXNNBDCSWQZPDE-JTQLQIEISA-N 0 3 243.272 3.337 20 0 BGADHN CC(C)CN[C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449060322 388137322 /nfs/dbraw/zinc/13/73/22/388137322.db2.gz CXNNBDCSWQZPDE-SNVBAGLBSA-N 0 3 243.272 3.337 20 0 BGADHN COc1cc(F)cc(CN2CC[C@H]2C(C)C)c1 ZINC000449060544 388137233 /nfs/dbraw/zinc/13/72/33/388137233.db2.gz SZBCGMZLVGSGMG-AWEZNQCLSA-N 0 3 237.318 3.065 20 0 BGADHN COc1cc(F)cc(CN2CC[C@@H]2C(C)C)c1 ZINC000449060545 388137641 /nfs/dbraw/zinc/13/76/41/388137641.db2.gz SZBCGMZLVGSGMG-CQSZACIVSA-N 0 3 237.318 3.065 20 0 BGADHN CCCCCNCc1ccnn1C1CCCC1 ZINC000449061819 388137573 /nfs/dbraw/zinc/13/75/73/388137573.db2.gz HLUVMRBDAMNWEY-UHFFFAOYSA-N 0 3 235.375 3.278 20 0 BGADHN C[C@@H]1CCC[C@H](NCc2ccncc2F)[C@@H]1C ZINC000449062360 201800221 /nfs/dbraw/zinc/80/02/21/201800221.db2.gz LNOFXEIHYKVEIQ-GYSYKLTISA-N 0 3 236.334 3.135 20 0 BGADHN C[C@@H]1CCC[C@@H](NCc2ccncc2F)[C@@H]1C ZINC000449062361 388137762 /nfs/dbraw/zinc/13/77/62/388137762.db2.gz LNOFXEIHYKVEIQ-JTNHKYCSSA-N 0 3 236.334 3.135 20 0 BGADHN C[C@@H]1CCC[C@H](NCc2ccncc2F)[C@H]1C ZINC000449062362 388137618 /nfs/dbraw/zinc/13/76/18/388137618.db2.gz LNOFXEIHYKVEIQ-SUNKGSAMSA-N 0 3 236.334 3.135 20 0 BGADHN C[C@@H]1CCC[C@@H](NCc2ccncc2F)[C@H]1C ZINC000449062363 388137480 /nfs/dbraw/zinc/13/74/80/388137480.db2.gz LNOFXEIHYKVEIQ-UHIISALHSA-N 0 3 236.334 3.135 20 0 BGADHN CC(C)CC[C@@H](C)NCc1ccncc1F ZINC000449066247 398273277 /nfs/dbraw/zinc/27/32/77/398273277.db2.gz ZFAFPCGJXMHQSS-LLVKDONJSA-N 0 3 224.323 3.135 20 0 BGADHN CC(C)CC[C@H](C)NCc1ccncc1F ZINC000449066249 398273039 /nfs/dbraw/zinc/27/30/39/398273039.db2.gz ZFAFPCGJXMHQSS-NSHDSACASA-N 0 3 224.323 3.135 20 0 BGADHN Fc1cnccc1CNCCC1=CCCCC1 ZINC000449067326 398273362 /nfs/dbraw/zinc/27/33/62/398273362.db2.gz KKYCTDJDSFRYAR-UHFFFAOYSA-N 0 3 234.318 3.201 20 0 BGADHN COc1cc2ccccc2cc1CNC1CC1 ZINC000449067559 388138402 /nfs/dbraw/zinc/13/84/02/388138402.db2.gz MNWHWPURDYGZTN-UHFFFAOYSA-N 0 3 227.307 3.100 20 0 BGADHN CCCCN[C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449068029 388138099 /nfs/dbraw/zinc/13/80/99/388138099.db2.gz QFBAAKDLCLXYMR-JTQLQIEISA-N 0 3 243.272 3.481 20 0 BGADHN CCCCN[C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449068030 388138129 /nfs/dbraw/zinc/13/81/29/388138129.db2.gz QFBAAKDLCLXYMR-SNVBAGLBSA-N 0 3 243.272 3.481 20 0 BGADHN COc1cc2ccccc2cc1CNC(C)C ZINC000449070048 388139242 /nfs/dbraw/zinc/13/92/42/388139242.db2.gz ISBLXCCSOCHNLU-UHFFFAOYSA-N 0 3 229.323 3.346 20 0 BGADHN CC[C@@H]1CCCC[C@H]1NCc1ccncc1F ZINC000449073442 388138868 /nfs/dbraw/zinc/13/88/68/388138868.db2.gz NBXRHSSGAACNNK-BXUZGUMPSA-N 0 3 236.334 3.279 20 0 BGADHN CC[C@H]1CCCC[C@@H]1NCc1ccncc1F ZINC000449073443 388138950 /nfs/dbraw/zinc/13/89/50/388138950.db2.gz NBXRHSSGAACNNK-FZMZJTMJSA-N 0 3 236.334 3.279 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1NCc1ccncc1F ZINC000449073444 388139260 /nfs/dbraw/zinc/13/92/60/388139260.db2.gz NBXRHSSGAACNNK-RISCZKNCSA-N 0 3 236.334 3.279 20 0 BGADHN CC[C@H]1CCCC[C@H]1NCc1ccncc1F ZINC000449073445 388139353 /nfs/dbraw/zinc/13/93/53/388139353.db2.gz NBXRHSSGAACNNK-SMDDNHRTSA-N 0 3 236.334 3.279 20 0 BGADHN Fc1cnccc1CNCCC1CCCCC1 ZINC000449075090 398274924 /nfs/dbraw/zinc/27/49/24/398274924.db2.gz VEBPLUFYYOEIBG-UHFFFAOYSA-N 0 3 236.334 3.281 20 0 BGADHN CC(C)N[C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449076832 388139793 /nfs/dbraw/zinc/13/97/93/388139793.db2.gz YAACQZNQBQRVKI-SECBINFHSA-N 0 3 229.245 3.089 20 0 BGADHN CC(C)N[C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449076839 388140105 /nfs/dbraw/zinc/14/01/05/388140105.db2.gz YAACQZNQBQRVKI-VIFPVBQESA-N 0 3 229.245 3.089 20 0 BGADHN Fc1cc2c(c(F)c1F)[C@@H](NCC1CC1)CC2 ZINC000449076903 388139968 /nfs/dbraw/zinc/13/99/68/388139968.db2.gz UUAIUIGONMVDCJ-JTQLQIEISA-N 0 3 241.256 3.091 20 0 BGADHN Fc1cc2c(c(F)c1F)[C@H](NCC1CC1)CC2 ZINC000449076904 388139650 /nfs/dbraw/zinc/13/96/50/388139650.db2.gz UUAIUIGONMVDCJ-SNVBAGLBSA-N 0 3 241.256 3.091 20 0 BGADHN C[C@H](NCc1nccs1)[C@@H]1CCCC[C@H]1C ZINC000449085286 388140373 /nfs/dbraw/zinc/14/03/73/388140373.db2.gz LWMSGSRBQCIVQV-GRYCIOLGSA-N 0 3 238.400 3.448 20 0 BGADHN C[C@@H](NCc1nccs1)[C@@H]1CCCC[C@H]1C ZINC000449085287 384643496 /nfs/dbraw/zinc/64/34/96/384643496.db2.gz LWMSGSRBQCIVQV-IJLUTSLNSA-N 0 3 238.400 3.448 20 0 BGADHN C[C@@H](NCc1nccs1)[C@H]1CCCC[C@H]1C ZINC000449085288 384643933 /nfs/dbraw/zinc/64/39/33/384643933.db2.gz LWMSGSRBQCIVQV-UTUOFQBUSA-N 0 3 238.400 3.448 20 0 BGADHN C[C@H](NCc1nccs1)[C@H]1CCCC[C@H]1C ZINC000449085289 384643515 /nfs/dbraw/zinc/64/35/15/384643515.db2.gz LWMSGSRBQCIVQV-WOPDTQHZSA-N 0 3 238.400 3.448 20 0 BGADHN CC1CCC(CNCc2ccncc2F)CC1 ZINC000449090317 398275686 /nfs/dbraw/zinc/27/56/86/398275686.db2.gz GPOIZNSUUJCWOC-UHFFFAOYSA-N 0 3 236.334 3.137 20 0 BGADHN C[C@@H]1CCC[C@H](CNCc2ccncc2F)C1 ZINC000449095301 398275798 /nfs/dbraw/zinc/27/57/98/398275798.db2.gz XPYSMIRGNAPUOB-NEPJUHHUSA-N 0 3 236.334 3.137 20 0 BGADHN C[C@H]1CCC[C@@H](CNCc2ccncc2F)C1 ZINC000449095302 398275571 /nfs/dbraw/zinc/27/55/71/398275571.db2.gz XPYSMIRGNAPUOB-NWDGAFQWSA-N 0 3 236.334 3.137 20 0 BGADHN C[C@H]1CCC[C@H](CNCc2ccncc2F)C1 ZINC000449095303 398275719 /nfs/dbraw/zinc/27/57/19/398275719.db2.gz XPYSMIRGNAPUOB-RYUDHWBXSA-N 0 3 236.334 3.137 20 0 BGADHN C[C@@H]1CCC[C@@H](CNCc2ccncc2F)C1 ZINC000449095304 398275418 /nfs/dbraw/zinc/27/54/18/398275418.db2.gz XPYSMIRGNAPUOB-VXGBXAGGSA-N 0 3 236.334 3.137 20 0 BGADHN c1cc2cccc(CNC[C@@H]3CCCCO3)c2o1 ZINC000449095653 388141025 /nfs/dbraw/zinc/14/10/25/388141025.db2.gz ADGPJCAQUAZFJF-AWEZNQCLSA-N 0 3 245.322 3.092 20 0 BGADHN c1cc2cccc(CNC[C@H]3CCCCO3)c2o1 ZINC000449095654 388141097 /nfs/dbraw/zinc/14/10/97/388141097.db2.gz ADGPJCAQUAZFJF-CQSZACIVSA-N 0 3 245.322 3.092 20 0 BGADHN C[C@@H]1CCCC[C@H]1CNCc1ccncc1F ZINC000449096448 201807991 /nfs/dbraw/zinc/80/79/91/201807991.db2.gz HRNMVRFSZWVCID-NEPJUHHUSA-N 0 3 236.334 3.137 20 0 BGADHN C[C@H]1CCCC[C@@H]1CNCc1ccncc1F ZINC000449096449 398275454 /nfs/dbraw/zinc/27/54/54/398275454.db2.gz HRNMVRFSZWVCID-NWDGAFQWSA-N 0 3 236.334 3.137 20 0 BGADHN C[C@H]1CCCC[C@H]1CNCc1ccncc1F ZINC000449096450 398275824 /nfs/dbraw/zinc/27/58/24/398275824.db2.gz HRNMVRFSZWVCID-RYUDHWBXSA-N 0 3 236.334 3.137 20 0 BGADHN C[C@@H]1CCCC[C@@H]1CNCc1ccncc1F ZINC000449096451 398275511 /nfs/dbraw/zinc/27/55/11/398275511.db2.gz HRNMVRFSZWVCID-VXGBXAGGSA-N 0 3 236.334 3.137 20 0 BGADHN CCCCOCCNCc1cccc2ccoc21 ZINC000449103521 388143194 /nfs/dbraw/zinc/14/31/94/388143194.db2.gz BOSVWOOCBPEYFK-UHFFFAOYSA-N 0 3 247.338 3.339 20 0 BGADHN C[C@H](NCc1cscn1)[C@H]1CCCC[C@H]1C ZINC000449105101 388142935 /nfs/dbraw/zinc/14/29/35/388142935.db2.gz CHEDYAQYNCQNFD-MDZLAQPJSA-N 0 3 238.400 3.448 20 0 BGADHN C[C@@H](NCc1cscn1)[C@@H]1CCCC[C@H]1C ZINC000449105102 201809733 /nfs/dbraw/zinc/80/97/33/201809733.db2.gz CHEDYAQYNCQNFD-NQBHXWOUSA-N 0 3 238.400 3.448 20 0 BGADHN C[C@H](NCc1cscn1)[C@@H]1CCCC[C@H]1C ZINC000449105103 388142854 /nfs/dbraw/zinc/14/28/54/388142854.db2.gz CHEDYAQYNCQNFD-NTZNESFSSA-N 0 3 238.400 3.448 20 0 BGADHN C[C@@H](NCc1cscn1)[C@H]1CCCC[C@H]1C ZINC000449105104 388142635 /nfs/dbraw/zinc/14/26/35/388142635.db2.gz CHEDYAQYNCQNFD-WZRBSPASSA-N 0 3 238.400 3.448 20 0 BGADHN CC1CCC(C)(NCc2ccncc2F)CC1 ZINC000449120627 398277074 /nfs/dbraw/zinc/27/70/74/398277074.db2.gz DRNVRWHRNCZCQZ-UHFFFAOYSA-N 0 3 236.334 3.279 20 0 BGADHN CC[C@@H](NCc1ccncc1F)C(C)(C)C ZINC000449125511 201815372 /nfs/dbraw/zinc/81/53/72/201815372.db2.gz JPKLHUDUPHHKAV-GFCCVEGCSA-N 0 3 224.323 3.135 20 0 BGADHN CC[C@H](NCc1ccncc1F)C(C)(C)C ZINC000449125512 388146091 /nfs/dbraw/zinc/14/60/91/388146091.db2.gz JPKLHUDUPHHKAV-LBPRGKRZSA-N 0 3 224.323 3.135 20 0 BGADHN COc1cc2ccccc2cc1CNC1CCC1 ZINC000449126400 385118822 /nfs/dbraw/zinc/11/88/22/385118822.db2.gz VBEWQMHKUSFWHA-UHFFFAOYSA-N 0 3 241.334 3.491 20 0 BGADHN Fc1cc2c(c(F)c1F)[C@@H](NC1CCC1)CC2 ZINC000449126704 385122136 /nfs/dbraw/zinc/12/21/36/385122136.db2.gz VNAKPRAYXJYZPP-JTQLQIEISA-N 0 3 241.256 3.233 20 0 BGADHN Fc1cc2c(c(F)c1F)[C@H](NC1CCC1)CC2 ZINC000449126705 385122952 /nfs/dbraw/zinc/12/29/52/385122952.db2.gz VNAKPRAYXJYZPP-SNVBAGLBSA-N 0 3 241.256 3.233 20 0 BGADHN Fc1cnccc1CN[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000449149442 398278737 /nfs/dbraw/zinc/27/87/37/398278737.db2.gz NKOTUUMUUAMQBQ-MBNYWOFBSA-N 0 3 248.345 3.279 20 0 BGADHN Fc1cnccc1CN[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000449149443 398279542 /nfs/dbraw/zinc/27/95/42/398279542.db2.gz NKOTUUMUUAMQBQ-OUCADQQQSA-N 0 3 248.345 3.279 20 0 BGADHN Fc1cnccc1CN[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000449149444 398279738 /nfs/dbraw/zinc/27/97/38/398279738.db2.gz NKOTUUMUUAMQBQ-SGMGOOAPSA-N 0 3 248.345 3.279 20 0 BGADHN Fc1cnccc1CN[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000449149445 398279810 /nfs/dbraw/zinc/27/98/10/398279810.db2.gz NKOTUUMUUAMQBQ-YRGRVCCFSA-N 0 3 248.345 3.279 20 0 BGADHN C[C@@H]1CC[C@H](NCc2ccncc2F)[C@H](C)C1 ZINC000449151505 388149219 /nfs/dbraw/zinc/14/92/19/388149219.db2.gz XUYBIIROAIVDCW-GYSYKLTISA-N 0 3 236.334 3.135 20 0 BGADHN C[C@@H]1CC[C@@H](NCc2ccncc2F)[C@H](C)C1 ZINC000449151506 388149223 /nfs/dbraw/zinc/14/92/23/388149223.db2.gz XUYBIIROAIVDCW-JTNHKYCSSA-N 0 3 236.334 3.135 20 0 BGADHN C[C@@H]1CC[C@H](NCc2ccncc2F)[C@@H](C)C1 ZINC000449151507 388149238 /nfs/dbraw/zinc/14/92/38/388149238.db2.gz XUYBIIROAIVDCW-SUNKGSAMSA-N 0 3 236.334 3.135 20 0 BGADHN C[C@@H]1CC[C@@H](NCc2ccncc2F)[C@@H](C)C1 ZINC000449151508 388149378 /nfs/dbraw/zinc/14/93/78/388149378.db2.gz XUYBIIROAIVDCW-UHIISALHSA-N 0 3 236.334 3.135 20 0 BGADHN C[C@H]1CC(NCc2ccncc2F)C[C@H](C)C1 ZINC000449154539 398280624 /nfs/dbraw/zinc/28/06/24/398280624.db2.gz IQXRCXYOABWMPC-GHMZBOCLSA-N 0 3 236.334 3.135 20 0 BGADHN C[C@H]1C[C@H](NCc2ccncc2F)C[C@@H](C)C1 ZINC000449154540 398280365 /nfs/dbraw/zinc/28/03/65/398280365.db2.gz IQXRCXYOABWMPC-PJXYFTJBSA-N 0 3 236.334 3.135 20 0 BGADHN C[C@@H]1CC(NCc2ccncc2F)C[C@@H](C)C1 ZINC000449154541 201822061 /nfs/dbraw/zinc/82/20/61/201822061.db2.gz IQXRCXYOABWMPC-QWRGUYRKSA-N 0 3 236.334 3.135 20 0 BGADHN CCCC[C@H](COC)NCc1csc(C)c1 ZINC000449159562 388150515 /nfs/dbraw/zinc/15/05/15/388150515.db2.gz HHRKURKTXFQVNR-CYBMUJFWSA-N 0 3 241.400 3.351 20 0 BGADHN CCCC[C@@H](COC)NCc1csc(C)c1 ZINC000449159563 388150523 /nfs/dbraw/zinc/15/05/23/388150523.db2.gz HHRKURKTXFQVNR-ZDUSSCGKSA-N 0 3 241.400 3.351 20 0 BGADHN CC[C@H]1CCC[C@H](NCc2ccncc2F)C1 ZINC000449162322 398280581 /nfs/dbraw/zinc/28/05/81/398280581.db2.gz RGWIXOKQVVPGKB-AAEUAGOBSA-N 0 3 236.334 3.279 20 0 BGADHN CC[C@@H]1CCC[C@@H](NCc2ccncc2F)C1 ZINC000449162323 398280308 /nfs/dbraw/zinc/28/03/08/398280308.db2.gz RGWIXOKQVVPGKB-DGCLKSJQSA-N 0 3 236.334 3.279 20 0 BGADHN CC[C@H]1CCC[C@@H](NCc2ccncc2F)C1 ZINC000449162324 398280283 /nfs/dbraw/zinc/28/02/83/398280283.db2.gz RGWIXOKQVVPGKB-WCQYABFASA-N 0 3 236.334 3.279 20 0 BGADHN CC[C@@H]1CCC[C@H](NCc2ccncc2F)C1 ZINC000449162325 398280628 /nfs/dbraw/zinc/28/06/28/398280628.db2.gz RGWIXOKQVVPGKB-YPMHNXCESA-N 0 3 236.334 3.279 20 0 BGADHN CC1(C)CCC(NCc2ccncc2F)CC1 ZINC000449162640 398280335 /nfs/dbraw/zinc/28/03/35/398280335.db2.gz JWWVQVUCOIMRJB-UHFFFAOYSA-N 0 3 236.334 3.279 20 0 BGADHN C[C@@H](NCc1ccncc1F)C1CCCCC1 ZINC000449165903 388151632 /nfs/dbraw/zinc/15/16/32/388151632.db2.gz YAZAJXUPJDGUBO-LLVKDONJSA-N 0 3 236.334 3.279 20 0 BGADHN C[C@H](NCc1ccncc1F)C1CCCCC1 ZINC000449165904 388151759 /nfs/dbraw/zinc/15/17/59/388151759.db2.gz YAZAJXUPJDGUBO-NSHDSACASA-N 0 3 236.334 3.279 20 0 BGADHN COc1cc(C)ccc1CNCCC(F)(F)F ZINC000449171687 388152755 /nfs/dbraw/zinc/15/27/55/388152755.db2.gz ISWMIIGNXIWTAM-UHFFFAOYSA-N 0 3 247.260 3.046 20 0 BGADHN CCC1(CNCc2ccnn2C2CCCC2)CC1 ZINC000449172093 388152591 /nfs/dbraw/zinc/15/25/91/388152591.db2.gz BLGATCJHRWWMEV-UHFFFAOYSA-N 0 3 247.386 3.278 20 0 BGADHN FC(F)(F)CCNCc1cccc2ccoc21 ZINC000449173469 388152379 /nfs/dbraw/zinc/15/23/79/388152379.db2.gz LEDFEJRRGLCMTJ-UHFFFAOYSA-N 0 3 243.228 3.475 20 0 BGADHN CC[C@@H](C)C[C@@H](C)NCc1ccncc1F ZINC000449177669 398280982 /nfs/dbraw/zinc/28/09/82/398280982.db2.gz SRRNDOSDNMEOMX-GHMZBOCLSA-N 0 3 224.323 3.135 20 0 BGADHN CC[C@@H](C)C[C@H](C)NCc1ccncc1F ZINC000449177670 398281002 /nfs/dbraw/zinc/28/10/02/398281002.db2.gz SRRNDOSDNMEOMX-MNOVXSKESA-N 0 3 224.323 3.135 20 0 BGADHN CC[C@H](C)C[C@H](C)NCc1ccncc1F ZINC000449177672 398281119 /nfs/dbraw/zinc/28/11/19/398281119.db2.gz SRRNDOSDNMEOMX-QWRGUYRKSA-N 0 3 224.323 3.135 20 0 BGADHN CC[C@H](C)C[C@@H](C)NCc1ccncc1F ZINC000449177674 398280950 /nfs/dbraw/zinc/28/09/50/398280950.db2.gz SRRNDOSDNMEOMX-WDEREUQCSA-N 0 3 224.323 3.135 20 0 BGADHN COC[C@H](N[C@H](C)CC(C)(C)C)c1ccco1 ZINC000449179487 388153318 /nfs/dbraw/zinc/15/33/18/388153318.db2.gz VZIITFGZBKTDEB-NEPJUHHUSA-N 0 3 239.359 3.381 20 0 BGADHN COC[C@@H](N[C@@H](C)CC(C)(C)C)c1ccco1 ZINC000449179488 388153340 /nfs/dbraw/zinc/15/33/40/388153340.db2.gz VZIITFGZBKTDEB-NWDGAFQWSA-N 0 3 239.359 3.381 20 0 BGADHN COC[C@H](N[C@@H](C)CC(C)(C)C)c1ccco1 ZINC000449179489 388153036 /nfs/dbraw/zinc/15/30/36/388153036.db2.gz VZIITFGZBKTDEB-RYUDHWBXSA-N 0 3 239.359 3.381 20 0 BGADHN COC[C@@H](N[C@H](C)CC(C)(C)C)c1ccco1 ZINC000449179490 388153516 /nfs/dbraw/zinc/15/35/16/388153516.db2.gz VZIITFGZBKTDEB-VXGBXAGGSA-N 0 3 239.359 3.381 20 0 BGADHN CCC[C@@H]1C[C@@H]1NCc1ccnn1C1CCCC1 ZINC000449179661 388153154 /nfs/dbraw/zinc/15/31/54/388153154.db2.gz XCAYBCDCVDIJBZ-DOMZBBRYSA-N 0 3 247.386 3.276 20 0 BGADHN CCC[C@@H]1C[C@H]1NCc1ccnn1C1CCCC1 ZINC000449179662 388153084 /nfs/dbraw/zinc/15/30/84/388153084.db2.gz XCAYBCDCVDIJBZ-IUODEOHRSA-N 0 3 247.386 3.276 20 0 BGADHN CCC[C@H]1C[C@H]1NCc1ccnn1C1CCCC1 ZINC000449179663 388153491 /nfs/dbraw/zinc/15/34/91/388153491.db2.gz XCAYBCDCVDIJBZ-SWLSCSKDSA-N 0 3 247.386 3.276 20 0 BGADHN CCC[C@H]1C[C@@H]1NCc1ccnn1C1CCCC1 ZINC000449179664 388153591 /nfs/dbraw/zinc/15/35/91/388153591.db2.gz XCAYBCDCVDIJBZ-WFASDCNBSA-N 0 3 247.386 3.276 20 0 BGADHN CCC1(CNCc2ccncc2F)CCCC1 ZINC000449181924 398281762 /nfs/dbraw/zinc/28/17/62/398281762.db2.gz JCSLVWQSWRXIMQ-UHFFFAOYSA-N 0 3 236.334 3.281 20 0 BGADHN c1cc(CN[C@@H]2C=CCCC2)n(C2CCCC2)n1 ZINC000449186440 384267151 /nfs/dbraw/zinc/26/71/51/384267151.db2.gz BZHLFCJXNRGVHE-CYBMUJFWSA-N 0 3 245.370 3.197 20 0 BGADHN c1cc(CN[C@H]2C=CCCC2)n(C2CCCC2)n1 ZINC000449186441 384266636 /nfs/dbraw/zinc/26/66/36/384266636.db2.gz BZHLFCJXNRGVHE-ZDUSSCGKSA-N 0 3 245.370 3.197 20 0 BGADHN CC1(C)CCCC[C@H]1NCc1ccncc1F ZINC000449186528 388154721 /nfs/dbraw/zinc/15/47/21/388154721.db2.gz CNGSKWXESLLMMY-CYBMUJFWSA-N 0 3 236.334 3.279 20 0 BGADHN CC1(C)CCCC[C@@H]1NCc1ccncc1F ZINC000449186529 388155155 /nfs/dbraw/zinc/15/51/55/388155155.db2.gz CNGSKWXESLLMMY-ZDUSSCGKSA-N 0 3 236.334 3.279 20 0 BGADHN C[C@@H](CC(C)(C)C)N[C@@H]1CCCc2c[nH]nc21 ZINC000449191142 388155873 /nfs/dbraw/zinc/15/58/73/388155873.db2.gz NWSVCGBYNIAZEA-CMPLNLGQSA-N 0 3 235.375 3.201 20 0 BGADHN C[C@@H](CC(C)(C)C)N[C@H]1CCCc2c[nH]nc21 ZINC000449191143 388155660 /nfs/dbraw/zinc/15/56/60/388155660.db2.gz NWSVCGBYNIAZEA-JQWIXIFHSA-N 0 3 235.375 3.201 20 0 BGADHN C[C@H](CC(C)(C)C)N[C@H]1CCCc2c[nH]nc21 ZINC000449191144 388155775 /nfs/dbraw/zinc/15/57/75/388155775.db2.gz NWSVCGBYNIAZEA-PWSUYJOCSA-N 0 3 235.375 3.201 20 0 BGADHN C[C@H](CC(C)(C)C)N[C@@H]1CCCc2c[nH]nc21 ZINC000449191145 384301007 /nfs/dbraw/zinc/30/10/07/384301007.db2.gz NWSVCGBYNIAZEA-ZYHUDNBSSA-N 0 3 235.375 3.201 20 0 BGADHN CC(C)CC(C)(C)CNCc1ccncc1F ZINC000449191946 398282049 /nfs/dbraw/zinc/28/20/49/398282049.db2.gz XMOXIARCAFDIFD-UHFFFAOYSA-N 0 3 238.350 3.383 20 0 BGADHN CC(C)CC1(CNCc2ccncc2F)CC1 ZINC000449192615 398281770 /nfs/dbraw/zinc/28/17/70/398281770.db2.gz REYQFRIVDLMBHN-UHFFFAOYSA-N 0 3 236.334 3.137 20 0 BGADHN CCCC1(CNCc2ccncc2F)CCC1 ZINC000449193857 398281818 /nfs/dbraw/zinc/28/18/18/398281818.db2.gz TWENENAJFYFGKJ-UHFFFAOYSA-N 0 3 236.334 3.281 20 0 BGADHN Cc1cccc(CN[C@@H]2C=CCCC2)c1F ZINC000449194494 201835435 /nfs/dbraw/zinc/83/54/35/201835435.db2.gz PELCTKHKAVSDSQ-CYBMUJFWSA-N 0 3 219.303 3.332 20 0 BGADHN Cc1cccc(CN[C@H]2C=CCCC2)c1F ZINC000449194496 388156486 /nfs/dbraw/zinc/15/64/86/388156486.db2.gz PELCTKHKAVSDSQ-ZDUSSCGKSA-N 0 3 219.303 3.332 20 0 BGADHN COc1cc(F)cc(CN[C@@H]2C=CCCC2)c1 ZINC000449195660 388156153 /nfs/dbraw/zinc/15/61/53/388156153.db2.gz RDCRQKYRUHDHEN-CYBMUJFWSA-N 0 3 235.302 3.033 20 0 BGADHN COc1cc(F)cc(CN[C@H]2C=CCCC2)c1 ZINC000449195661 388156066 /nfs/dbraw/zinc/15/60/66/388156066.db2.gz RDCRQKYRUHDHEN-ZDUSSCGKSA-N 0 3 235.302 3.033 20 0 BGADHN C[C@@H](CC(C)(C)C)NCc1ccc(F)cn1 ZINC000449197362 388156460 /nfs/dbraw/zinc/15/64/60/388156460.db2.gz VJMAQDANKXJBMU-JTQLQIEISA-N 0 3 224.323 3.135 20 0 BGADHN C[C@H](CC(C)(C)C)NCc1ccc(F)cn1 ZINC000449197363 388156497 /nfs/dbraw/zinc/15/64/97/388156497.db2.gz VJMAQDANKXJBMU-SNVBAGLBSA-N 0 3 224.323 3.135 20 0 BGADHN COc1cc(C)ccc1CN[C@H]1C=CCCC1 ZINC000449197378 201834391 /nfs/dbraw/zinc/83/43/91/201834391.db2.gz VMFBNBFPLYTXNL-AWEZNQCLSA-N 0 3 231.339 3.202 20 0 BGADHN COc1cc(C)ccc1CN[C@@H]1C=CCCC1 ZINC000449197379 201834924 /nfs/dbraw/zinc/83/49/24/201834924.db2.gz VMFBNBFPLYTXNL-CQSZACIVSA-N 0 3 231.339 3.202 20 0 BGADHN CC1(CNCc2ccncc2F)CCCCC1 ZINC000449197794 398282544 /nfs/dbraw/zinc/28/25/44/398282544.db2.gz XTGQTDOTXGBPAL-UHFFFAOYSA-N 0 3 236.334 3.281 20 0 BGADHN CC(C)CC[C@H]1CC[C@H](NCc2ccn(C)n2)C1 ZINC000449205115 388156569 /nfs/dbraw/zinc/15/65/69/388156569.db2.gz KZEASADGZMHSOW-KBPBESRZSA-N 0 3 249.402 3.115 20 0 BGADHN CC(C)CC[C@@H]1CC[C@H](NCc2ccn(C)n2)C1 ZINC000449205116 388156738 /nfs/dbraw/zinc/15/67/38/388156738.db2.gz KZEASADGZMHSOW-KGLIPLIRSA-N 0 3 249.402 3.115 20 0 BGADHN CC(C)CC[C@H]1CC[C@@H](NCc2ccn(C)n2)C1 ZINC000449205117 388156656 /nfs/dbraw/zinc/15/66/56/388156656.db2.gz KZEASADGZMHSOW-UONOGXRCSA-N 0 3 249.402 3.115 20 0 BGADHN CC(C)CC[C@@H]1CC[C@@H](NCc2ccn(C)n2)C1 ZINC000449205118 388156775 /nfs/dbraw/zinc/15/67/75/388156775.db2.gz KZEASADGZMHSOW-ZIAGYGMSSA-N 0 3 249.402 3.115 20 0 BGADHN Cc1cnc(CNCC23CCC(CC2)C3)s1 ZINC000449206878 388157551 /nfs/dbraw/zinc/15/75/51/388157551.db2.gz NOJALXISLXONEH-UHFFFAOYSA-N 0 3 236.384 3.121 20 0 BGADHN Cc1cc(C)nc(N[C@H](C)Cc2ccoc2)c1 ZINC000449213742 388158555 /nfs/dbraw/zinc/15/85/55/388158555.db2.gz VPCAUABAVBUKJJ-GFCCVEGCSA-N 0 3 230.311 3.335 20 0 BGADHN Cc1cc(C)nc(N[C@@H](C)Cc2ccoc2)c1 ZINC000449213743 388158237 /nfs/dbraw/zinc/15/82/37/388158237.db2.gz VPCAUABAVBUKJJ-LBPRGKRZSA-N 0 3 230.311 3.335 20 0 BGADHN Cc1cccc(CCN(C)Cc2cccnc2)c1 ZINC000449227685 388159556 /nfs/dbraw/zinc/15/95/56/388159556.db2.gz QIVNTMPRAIZUJP-UHFFFAOYSA-N 0 3 240.350 3.065 20 0 BGADHN Fc1cnccc1CN[C@@H]1C[C@H]1C1CCCCC1 ZINC000449227982 398284756 /nfs/dbraw/zinc/28/47/56/398284756.db2.gz XAPRMLZEHLHXOT-DZGCQCFKSA-N 0 3 248.345 3.279 20 0 BGADHN Fc1cnccc1CN[C@H]1C[C@@H]1C1CCCCC1 ZINC000449227983 398285037 /nfs/dbraw/zinc/28/50/37/398285037.db2.gz XAPRMLZEHLHXOT-HIFRSBDPSA-N 0 3 248.345 3.279 20 0 BGADHN Fc1cnccc1CN[C@@H]1C[C@@H]1C1CCCCC1 ZINC000449227984 398284951 /nfs/dbraw/zinc/28/49/51/398284951.db2.gz XAPRMLZEHLHXOT-UKRRQHHQSA-N 0 3 248.345 3.279 20 0 BGADHN Fc1cnccc1CN[C@H]1C[C@H]1C1CCCCC1 ZINC000449227985 398285170 /nfs/dbraw/zinc/28/51/70/398285170.db2.gz XAPRMLZEHLHXOT-ZFWWWQNUSA-N 0 3 248.345 3.279 20 0 BGADHN Cc1cc(CN[C@H](C)[C@@H]2CCCC[C@H]2C)on1 ZINC000449228132 324139089 /nfs/dbraw/zinc/13/90/89/324139089.db2.gz XKXWWJRJSJPCMW-MPKXVKKWSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1cc(CN[C@H](C)[C@H]2CCCC[C@H]2C)on1 ZINC000449228133 324139169 /nfs/dbraw/zinc/13/91/69/324139169.db2.gz XKXWWJRJSJPCMW-QKCSRTOESA-N 0 3 236.359 3.287 20 0 BGADHN Cc1cc(CN[C@H](C)[C@H]2CCCC[C@@H]2C)on1 ZINC000449228134 324139330 /nfs/dbraw/zinc/13/93/30/324139330.db2.gz XKXWWJRJSJPCMW-SUHUHFCYSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1cc(CN[C@H](C)[C@@H]2CCCC[C@@H]2C)on1 ZINC000449228135 324139108 /nfs/dbraw/zinc/13/91/08/324139108.db2.gz XKXWWJRJSJPCMW-ZKYQVNSYSA-N 0 3 236.359 3.287 20 0 BGADHN CC[C@H](NCc1nccn1CC(C)C)C1CCC1 ZINC000449228515 324139276 /nfs/dbraw/zinc/13/92/76/324139276.db2.gz YUGRZHSPAIEWSO-AWEZNQCLSA-N 0 3 249.402 3.207 20 0 BGADHN CC[C@@H](NCc1nccn1CC(C)C)C1CCC1 ZINC000449228516 324139303 /nfs/dbraw/zinc/13/93/03/324139303.db2.gz YUGRZHSPAIEWSO-CQSZACIVSA-N 0 3 249.402 3.207 20 0 BGADHN C[C@@H]1CN(Cc2ccncc2F)[C@H]2CCCC[C@H]12 ZINC000449230844 397952364 /nfs/dbraw/zinc/95/23/64/397952364.db2.gz BHXBYQKMMCHDGG-KYOSRNDESA-N 0 3 248.345 3.231 20 0 BGADHN C[C@@H]1CN(Cc2ccncc2F)[C@@H]2CCCC[C@H]21 ZINC000449230845 397952058 /nfs/dbraw/zinc/95/20/58/397952058.db2.gz BHXBYQKMMCHDGG-OSAQELSMSA-N 0 3 248.345 3.231 20 0 BGADHN C[C@@H]1CN(Cc2ccncc2F)[C@@H]2CCCC[C@@H]21 ZINC000449230846 397952302 /nfs/dbraw/zinc/95/23/02/397952302.db2.gz BHXBYQKMMCHDGG-UXIGCNINSA-N 0 3 248.345 3.231 20 0 BGADHN C[C@@H]1CN(Cc2ccncc2F)[C@H]2CCCC[C@@H]12 ZINC000449230847 256782331 /nfs/dbraw/zinc/78/23/31/256782331.db2.gz BHXBYQKMMCHDGG-ZLDLUXBVSA-N 0 3 248.345 3.231 20 0 BGADHN C[C@@H]1CC[C@]2(CCN(Cc3ccncc3F)C2)C1 ZINC000449232724 397953212 /nfs/dbraw/zinc/95/32/12/397953212.db2.gz JAEWTUVKBQMUQX-DOMZBBRYSA-N 0 3 248.345 3.233 20 0 BGADHN C[C@@H]1CC[C@@]2(CCN(Cc3ccncc3F)C2)C1 ZINC000449232725 397953090 /nfs/dbraw/zinc/95/30/90/397953090.db2.gz JAEWTUVKBQMUQX-IUODEOHRSA-N 0 3 248.345 3.233 20 0 BGADHN C[C@H]1CC[C@@]2(CCN(Cc3ccncc3F)C2)C1 ZINC000449232726 397952829 /nfs/dbraw/zinc/95/28/29/397952829.db2.gz JAEWTUVKBQMUQX-SWLSCSKDSA-N 0 3 248.345 3.233 20 0 BGADHN C[C@H]1CC[C@]2(CCN(Cc3ccncc3F)C2)C1 ZINC000449232727 397952856 /nfs/dbraw/zinc/95/28/56/397952856.db2.gz JAEWTUVKBQMUQX-WFASDCNBSA-N 0 3 248.345 3.233 20 0 BGADHN C[C@@H]1CC[C@H](NCc2ccncc2F)C[C@@H]1C ZINC000449234516 398284828 /nfs/dbraw/zinc/28/48/28/398284828.db2.gz CHLGOIJNWWEISO-MDZLAQPJSA-N 0 3 236.334 3.135 20 0 BGADHN C[C@@H]1CC[C@@H](NCc2ccncc2F)C[C@H]1C ZINC000449234517 398284915 /nfs/dbraw/zinc/28/49/15/398284915.db2.gz CHLGOIJNWWEISO-NQBHXWOUSA-N 0 3 236.334 3.135 20 0 BGADHN C[C@@H]1CC[C@@H](NCc2ccncc2F)C[C@@H]1C ZINC000449234518 398285262 /nfs/dbraw/zinc/28/52/62/398285262.db2.gz CHLGOIJNWWEISO-NTZNESFSSA-N 0 3 236.334 3.135 20 0 BGADHN C[C@@H]1CC[C@H](NCc2ccncc2F)C[C@H]1C ZINC000449234519 398285232 /nfs/dbraw/zinc/28/52/32/398285232.db2.gz CHLGOIJNWWEISO-WZRBSPASSA-N 0 3 236.334 3.135 20 0 BGADHN CCC[C@@H]1CCCCN1Cc1ccncc1F ZINC000449237913 388160034 /nfs/dbraw/zinc/16/00/34/388160034.db2.gz PPWGHJZAPWTMPY-CYBMUJFWSA-N 0 3 236.334 3.375 20 0 BGADHN CCC[C@H]1CCCCN1Cc1ccncc1F ZINC000449237914 388160197 /nfs/dbraw/zinc/16/01/97/388160197.db2.gz PPWGHJZAPWTMPY-ZDUSSCGKSA-N 0 3 236.334 3.375 20 0 BGADHN C[C@H](CC(C)(C)C)N[C@H](C)c1ccon1 ZINC000449239511 388160836 /nfs/dbraw/zinc/16/08/36/388160836.db2.gz VSQNSACQAJOUSC-NXEZZACHSA-N 0 3 210.321 3.150 20 0 BGADHN C[C@@H](CC(C)(C)C)N[C@@H](C)c1ccon1 ZINC000449239512 388160892 /nfs/dbraw/zinc/16/08/92/388160892.db2.gz VSQNSACQAJOUSC-UWVGGRQHSA-N 0 3 210.321 3.150 20 0 BGADHN C[C@@H](N[C@@H](C)CC(C)(C)C)c1ccon1 ZINC000449239514 201847315 /nfs/dbraw/zinc/84/73/15/201847315.db2.gz VSQNSACQAJOUSC-VHSXEESVSA-N 0 3 210.321 3.150 20 0 BGADHN C[C@H](CC(C)(C)C)N[C@@H](C)c1ccon1 ZINC000449239515 388160934 /nfs/dbraw/zinc/16/09/34/388160934.db2.gz VSQNSACQAJOUSC-ZJUUUORDSA-N 0 3 210.321 3.150 20 0 BGADHN CC(C)(C)[C@@H]1CCN(Cc2ccncc2F)C1 ZINC000449239841 388160989 /nfs/dbraw/zinc/16/09/89/388160989.db2.gz LJFAUQIORUPUNY-GFCCVEGCSA-N 0 3 236.334 3.089 20 0 BGADHN CC(C)(C)[C@H]1CCN(Cc2ccncc2F)C1 ZINC000449239842 388160954 /nfs/dbraw/zinc/16/09/54/388160954.db2.gz LJFAUQIORUPUNY-LBPRGKRZSA-N 0 3 236.334 3.089 20 0 BGADHN CN(Cc1ccncc1F)C[C@@H]1CC=CCC1 ZINC000449240448 388160826 /nfs/dbraw/zinc/16/08/26/388160826.db2.gz NJCYSUMFLGFZBA-GFCCVEGCSA-N 0 3 234.318 3.009 20 0 BGADHN CN(Cc1ccncc1F)C[C@H]1CC=CCC1 ZINC000449240449 388160626 /nfs/dbraw/zinc/16/06/26/388160626.db2.gz NJCYSUMFLGFZBA-LBPRGKRZSA-N 0 3 234.318 3.009 20 0 BGADHN Cc1cccc(CCN(C)Cc2ccccn2)c1 ZINC000449240985 388161195 /nfs/dbraw/zinc/16/11/95/388161195.db2.gz QIYDQWSEJQCUHS-UHFFFAOYSA-N 0 3 240.350 3.065 20 0 BGADHN Cc1cccc(CCN(C)Cc2ccncc2)c1 ZINC000449242400 388161230 /nfs/dbraw/zinc/16/12/30/388161230.db2.gz XGZIQOQBCCYMKR-UHFFFAOYSA-N 0 3 240.350 3.065 20 0 BGADHN COc1cc(C)ccc1CN1CCCC2(CC2)C1 ZINC000449247337 388161548 /nfs/dbraw/zinc/16/15/48/388161548.db2.gz FLIYRVNCLZNDKW-UHFFFAOYSA-N 0 3 245.366 3.380 20 0 BGADHN CC(C)(CF)NCc1cccc2ccoc21 ZINC000449247598 388161538 /nfs/dbraw/zinc/16/15/38/388161538.db2.gz GVLJGNGZYLRFQF-UHFFFAOYSA-N 0 3 221.275 3.271 20 0 BGADHN C[C@H](CNC(C)(C)CF)c1cc(F)cc(F)c1 ZINC000449248155 388162298 /nfs/dbraw/zinc/16/22/98/388162298.db2.gz IDFKPGRNQIVILG-SECBINFHSA-N 0 3 245.288 3.406 20 0 BGADHN C[C@@H](CNC(C)(C)CF)c1cc(F)cc(F)c1 ZINC000449248156 388162296 /nfs/dbraw/zinc/16/22/96/388162296.db2.gz IDFKPGRNQIVILG-VIFPVBQESA-N 0 3 245.288 3.406 20 0 BGADHN C[C@@H](CC(C)(C)C)N[C@H](CO)c1ccsc1 ZINC000449251324 388162469 /nfs/dbraw/zinc/16/24/69/388162469.db2.gz QYLFTTKIXDGRQA-CMPLNLGQSA-N 0 3 241.400 3.196 20 0 BGADHN C[C@@H](CC(C)(C)C)N[C@@H](CO)c1ccsc1 ZINC000449251325 388162731 /nfs/dbraw/zinc/16/27/31/388162731.db2.gz QYLFTTKIXDGRQA-JQWIXIFHSA-N 0 3 241.400 3.196 20 0 BGADHN C[C@H](CC(C)(C)C)N[C@@H](CO)c1ccsc1 ZINC000449251326 388162886 /nfs/dbraw/zinc/16/28/86/388162886.db2.gz QYLFTTKIXDGRQA-PWSUYJOCSA-N 0 3 241.400 3.196 20 0 BGADHN C[C@H](CC(C)(C)C)N[C@H](CO)c1ccsc1 ZINC000449251327 388162404 /nfs/dbraw/zinc/16/24/04/388162404.db2.gz QYLFTTKIXDGRQA-ZYHUDNBSSA-N 0 3 241.400 3.196 20 0 BGADHN Cc1cc(CN2CCCC3(CC3)C2)cs1 ZINC000449253730 388163109 /nfs/dbraw/zinc/16/31/09/388163109.db2.gz ZPRRIQQFFFUTFW-UHFFFAOYSA-N 0 3 221.369 3.433 20 0 BGADHN Cc1cccc(CNC[C@@H](C)C(F)(F)F)c1F ZINC000449258379 388163628 /nfs/dbraw/zinc/16/36/28/388163628.db2.gz PGIQEXZUQCSNCN-SECBINFHSA-N 0 3 249.251 3.422 20 0 BGADHN Cc1cccc(CNC[C@H](C)C(F)(F)F)c1F ZINC000449258380 388163454 /nfs/dbraw/zinc/16/34/54/388163454.db2.gz PGIQEXZUQCSNCN-VIFPVBQESA-N 0 3 249.251 3.422 20 0 BGADHN COc1cc(F)cc(CN2CC[C@H]3CCC[C@@H]32)c1 ZINC000449259058 388163309 /nfs/dbraw/zinc/16/33/09/388163309.db2.gz PKLPGCNINZPSTJ-DOMZBBRYSA-N 0 3 249.329 3.209 20 0 BGADHN COc1cc(F)cc(CN2CC[C@H]3CCC[C@H]32)c1 ZINC000449259059 388163400 /nfs/dbraw/zinc/16/34/00/388163400.db2.gz PKLPGCNINZPSTJ-IUODEOHRSA-N 0 3 249.329 3.209 20 0 BGADHN COc1cc(F)cc(CN2CC[C@@H]3CCC[C@H]32)c1 ZINC000449259060 388163795 /nfs/dbraw/zinc/16/37/95/388163795.db2.gz PKLPGCNINZPSTJ-SWLSCSKDSA-N 0 3 249.329 3.209 20 0 BGADHN COc1cc(F)cc(CN2CC[C@@H]3CCC[C@@H]32)c1 ZINC000449259061 201851678 /nfs/dbraw/zinc/85/16/78/201851678.db2.gz PKLPGCNINZPSTJ-WFASDCNBSA-N 0 3 249.329 3.209 20 0 BGADHN Cc1cc(CNC[C@@H](C)C(F)(F)F)cs1 ZINC000449259820 384589848 /nfs/dbraw/zinc/58/98/48/384589848.db2.gz VGMXFWZJCFGBPW-SSDOTTSWSA-N 0 3 237.290 3.345 20 0 BGADHN Cc1cc(CNC[C@H](C)C(F)(F)F)cs1 ZINC000449259821 384589739 /nfs/dbraw/zinc/58/97/39/384589739.db2.gz VGMXFWZJCFGBPW-ZETCQYMHSA-N 0 3 237.290 3.345 20 0 BGADHN CC(C)[C@@H]1CCCN(Cc2ccncc2F)C1 ZINC000449262935 397953636 /nfs/dbraw/zinc/95/36/36/397953636.db2.gz GAGKNQFYHJNQAG-GFCCVEGCSA-N 0 3 236.334 3.089 20 0 BGADHN CC(C)[C@H]1CCCN(Cc2ccncc2F)C1 ZINC000449262936 397953768 /nfs/dbraw/zinc/95/37/68/397953768.db2.gz GAGKNQFYHJNQAG-LBPRGKRZSA-N 0 3 236.334 3.089 20 0 BGADHN CC1(C)CCCCN(Cc2ccncc2F)C1 ZINC000449267026 388164448 /nfs/dbraw/zinc/16/44/48/388164448.db2.gz XTGBZYJVXUSPRF-UHFFFAOYSA-N 0 3 236.334 3.233 20 0 BGADHN CC1(C)CCC[C@@H](NCc2ccncc2F)C1 ZINC000449267777 201852984 /nfs/dbraw/zinc/85/29/84/201852984.db2.gz BJZPTJPAMXOVQC-GFCCVEGCSA-N 0 3 236.334 3.279 20 0 BGADHN CC1(C)CCC[C@H](NCc2ccncc2F)C1 ZINC000449267778 398287241 /nfs/dbraw/zinc/28/72/41/398287241.db2.gz BJZPTJPAMXOVQC-LBPRGKRZSA-N 0 3 236.334 3.279 20 0 BGADHN Cc1cc(CN(C)CC[C@H]2CCCO2)cs1 ZINC000449268511 388164861 /nfs/dbraw/zinc/16/48/61/388164861.db2.gz HLQXOOFLCBAORN-CYBMUJFWSA-N 0 3 239.384 3.057 20 0 BGADHN Cc1cc(CN(C)CC[C@@H]2CCCO2)cs1 ZINC000449268512 397953710 /nfs/dbraw/zinc/95/37/10/397953710.db2.gz HLQXOOFLCBAORN-ZDUSSCGKSA-N 0 3 239.384 3.057 20 0 BGADHN CC[C@@H]1CC[C@H](C)N(Cc2c(C)noc2C)C1 ZINC000449269671 388164829 /nfs/dbraw/zinc/16/48/29/388164829.db2.gz FDNMODQNJZLXPJ-GXFFZTMASA-N 0 3 236.359 3.302 20 0 BGADHN C[C@H]1CCC[C@H](NCc2ccncc2F)CC1 ZINC000449270428 398287230 /nfs/dbraw/zinc/28/72/30/398287230.db2.gz QRRGDSCIESPWIA-AAEUAGOBSA-N 0 3 236.334 3.279 20 0 BGADHN C[C@@H]1CCC[C@@H](NCc2ccncc2F)CC1 ZINC000449270429 398287159 /nfs/dbraw/zinc/28/71/59/398287159.db2.gz QRRGDSCIESPWIA-DGCLKSJQSA-N 0 3 236.334 3.279 20 0 BGADHN C[C@H]1CCC[C@@H](NCc2ccncc2F)CC1 ZINC000449270430 398287095 /nfs/dbraw/zinc/28/70/95/398287095.db2.gz QRRGDSCIESPWIA-WCQYABFASA-N 0 3 236.334 3.279 20 0 BGADHN C[C@@H]1CCC[C@H](NCc2ccncc2F)CC1 ZINC000449270431 398287213 /nfs/dbraw/zinc/28/72/13/398287213.db2.gz QRRGDSCIESPWIA-YPMHNXCESA-N 0 3 236.334 3.279 20 0 BGADHN CC(C)C(CNCc1ccncc1F)C(C)C ZINC000449270733 398287007 /nfs/dbraw/zinc/28/70/07/398287007.db2.gz CVRCNSDXCVTWOP-UHFFFAOYSA-N 0 3 238.350 3.239 20 0 BGADHN CC[C@@H]1CC[C@H](C)N(Cc2cnc(C)s2)C1 ZINC000449270832 388165862 /nfs/dbraw/zinc/16/58/62/388165862.db2.gz MHKNLTASOMWSTP-CMPLNLGQSA-N 0 3 238.400 3.462 20 0 BGADHN CC[C@@H]1CC[C@H](C)N(Cc2nc(C)cs2)C1 ZINC000449272774 201856921 /nfs/dbraw/zinc/85/69/21/201856921.db2.gz VWBBXXHDLLWGFN-NWDGAFQWSA-N 0 3 238.400 3.462 20 0 BGADHN COc1cc(C)ccc1CNCCC=C(C)C ZINC000449276464 388166522 /nfs/dbraw/zinc/16/65/22/388166522.db2.gz BSXJMEJLWRFVFE-UHFFFAOYSA-N 0 3 233.355 3.450 20 0 BGADHN CC(C)=CCNCc1ccnn1C1CCCC1 ZINC000449277667 388166577 /nfs/dbraw/zinc/16/65/77/388166577.db2.gz GKPBZOLAMLAFEF-UHFFFAOYSA-N 0 3 233.359 3.054 20 0 BGADHN C[C@@H]1C[C@H](C)[C@@H](C)N(Cc2ccncc2F)C1 ZINC000449277697 388166650 /nfs/dbraw/zinc/16/66/50/388166650.db2.gz GPVAUVGMRDCXRQ-GRYCIOLGSA-N 0 3 236.334 3.087 20 0 BGADHN C[C@@H]1C[C@@H](C)[C@@H](C)N(Cc2ccncc2F)C1 ZINC000449277698 388166405 /nfs/dbraw/zinc/16/64/05/388166405.db2.gz GPVAUVGMRDCXRQ-IJLUTSLNSA-N 0 3 236.334 3.087 20 0 BGADHN C[C@@H]1C[C@@H](C)[C@H](C)N(Cc2ccncc2F)C1 ZINC000449277699 388166606 /nfs/dbraw/zinc/16/66/06/388166606.db2.gz GPVAUVGMRDCXRQ-UTUOFQBUSA-N 0 3 236.334 3.087 20 0 BGADHN C[C@@H]1C[C@H](C)[C@H](C)N(Cc2ccncc2F)C1 ZINC000449277700 388166358 /nfs/dbraw/zinc/16/63/58/388166358.db2.gz GPVAUVGMRDCXRQ-WOPDTQHZSA-N 0 3 236.334 3.087 20 0 BGADHN CC(C)=CCCNCc1ccnn1C1CCCC1 ZINC000449278571 388166712 /nfs/dbraw/zinc/16/67/12/388166712.db2.gz KNFVWUFMXWURAO-UHFFFAOYSA-N 0 3 247.386 3.444 20 0 BGADHN CC(C)=CCNCc1cccc2ccoc21 ZINC000449278618 388166717 /nfs/dbraw/zinc/16/67/17/388166717.db2.gz KXSUTSCGOOHZER-UHFFFAOYSA-N 0 3 215.296 3.489 20 0 BGADHN CC(C)=CCCNCc1cc2cccnc2o1 ZINC000449279802 388166555 /nfs/dbraw/zinc/16/65/55/388166555.db2.gz SWSNZOOBJMVVAR-UHFFFAOYSA-N 0 3 230.311 3.274 20 0 BGADHN COc1cc(F)cc(CN2CCCC23CCC3)c1 ZINC000449281245 388167278 /nfs/dbraw/zinc/16/72/78/388167278.db2.gz CPSBHBHLHVLLRF-UHFFFAOYSA-N 0 3 249.329 3.353 20 0 BGADHN COc1cc(C)ccc1CN[C@H]1CC12CCCC2 ZINC000449281583 388167687 /nfs/dbraw/zinc/16/76/87/388167687.db2.gz DGASODJBUIXJCJ-HNNXBMFYSA-N 0 3 245.366 3.426 20 0 BGADHN COc1cc(C)ccc1CN[C@@H]1CC12CCCC2 ZINC000449281584 388167300 /nfs/dbraw/zinc/16/73/00/388167300.db2.gz DGASODJBUIXJCJ-OAHLLOKOSA-N 0 3 245.366 3.426 20 0 BGADHN CC(C)N(Cc1ccncc1F)CC1CCC1 ZINC000449284708 388167043 /nfs/dbraw/zinc/16/70/43/388167043.db2.gz PLAUPCNIPDMRNW-UHFFFAOYSA-N 0 3 236.334 3.231 20 0 BGADHN COc1cc(CN2CC(C)C2)cc2ccccc21 ZINC000449294072 388168993 /nfs/dbraw/zinc/16/89/93/388168993.db2.gz KFBBLDXZVNXUEN-UHFFFAOYSA-N 0 3 241.334 3.300 20 0 BGADHN Cc1cccc(CNCC2(C(F)F)CC2)c1F ZINC000449294719 384919765 /nfs/dbraw/zinc/91/97/65/384919765.db2.gz MONNKBVXVYOWLE-UHFFFAOYSA-N 0 3 243.272 3.269 20 0 BGADHN Cc1cc(CNCC2(C(F)F)CC2)cs1 ZINC000449294734 388168925 /nfs/dbraw/zinc/16/89/25/388168925.db2.gz MTCCKPIBODMBHE-UHFFFAOYSA-N 0 3 231.311 3.191 20 0 BGADHN COc1cccc2c(CN3CC(C)C3)cccc12 ZINC000449295696 388168893 /nfs/dbraw/zinc/16/88/93/388168893.db2.gz USPFCAOXRQHTQQ-UHFFFAOYSA-N 0 3 241.334 3.300 20 0 BGADHN COc1cc2ccccc2cc1CN1CC(C)C1 ZINC000449295803 388168704 /nfs/dbraw/zinc/16/87/04/388168704.db2.gz VGAVIIAQDYUFFL-UHFFFAOYSA-N 0 3 241.334 3.300 20 0 BGADHN Cc1cc(CN2CCC=C(C)C2)cs1 ZINC000449297586 388163820 /nfs/dbraw/zinc/16/38/20/388163820.db2.gz DKHAPNVRLSCNDC-UHFFFAOYSA-N 0 3 207.342 3.209 20 0 BGADHN COc1cc(C)ccc1CN1CCC=C(C)C1 ZINC000449300546 388169676 /nfs/dbraw/zinc/16/96/76/388169676.db2.gz PBOKFZWDXJNVBC-UHFFFAOYSA-N 0 3 231.339 3.156 20 0 BGADHN CN(Cc1ccncc1F)[C@@H]1CCC(C)(C)C1 ZINC000449302190 388170135 /nfs/dbraw/zinc/17/01/35/388170135.db2.gz TZPDQDKWMQWCPT-GFCCVEGCSA-N 0 3 236.334 3.231 20 0 BGADHN CN(Cc1ccncc1F)[C@H]1CCC(C)(C)C1 ZINC000449302191 388170116 /nfs/dbraw/zinc/17/01/16/388170116.db2.gz TZPDQDKWMQWCPT-LBPRGKRZSA-N 0 3 236.334 3.231 20 0 BGADHN CSCCCN(C)Cc1cccc(C)c1F ZINC000449302702 388170126 /nfs/dbraw/zinc/17/01/26/388170126.db2.gz KIUOZHQIFRHNAH-UHFFFAOYSA-N 0 3 241.375 3.319 20 0 BGADHN Fc1cnccc1CN(CC1CC1)CC1CCC1 ZINC000449302958 388169662 /nfs/dbraw/zinc/16/96/62/388169662.db2.gz VRIZPXLPGJNHLE-UHFFFAOYSA-N 0 3 248.345 3.233 20 0 BGADHN Cc1cc([C@@H](C)N[C@@H](C)CC(C)(C)C)no1 ZINC000449304860 388170806 /nfs/dbraw/zinc/17/08/06/388170806.db2.gz CXVQMZQLKFNPRX-GXSJLCMTSA-N 0 3 224.348 3.458 20 0 BGADHN Cc1cc([C@H](C)N[C@H](C)CC(C)(C)C)no1 ZINC000449304861 388170453 /nfs/dbraw/zinc/17/04/53/388170453.db2.gz CXVQMZQLKFNPRX-KOLCDFICSA-N 0 3 224.348 3.458 20 0 BGADHN Cc1cc([C@@H](C)N[C@H](C)CC(C)(C)C)no1 ZINC000449304862 388170873 /nfs/dbraw/zinc/17/08/73/388170873.db2.gz CXVQMZQLKFNPRX-MWLCHTKSSA-N 0 3 224.348 3.458 20 0 BGADHN Cc1cc([C@H](C)N[C@@H](C)CC(C)(C)C)no1 ZINC000449304863 388170783 /nfs/dbraw/zinc/17/07/83/388170783.db2.gz CXVQMZQLKFNPRX-ONGXEEELSA-N 0 3 224.348 3.458 20 0 BGADHN COCC1(NCc2cccc3ccoc32)CCC1 ZINC000449309759 388170304 /nfs/dbraw/zinc/17/03/04/388170304.db2.gz CGOWWCATKRWWGY-UHFFFAOYSA-N 0 3 245.322 3.092 20 0 BGADHN C[C@@H]1CCCC[C@H]1N(C)Cc1ccncc1F ZINC000449310266 388170580 /nfs/dbraw/zinc/17/05/80/388170580.db2.gz FVFIKSXIVXGMFO-BXUZGUMPSA-N 0 3 236.334 3.231 20 0 BGADHN C[C@H]1CCCC[C@@H]1N(C)Cc1ccncc1F ZINC000449310267 388170836 /nfs/dbraw/zinc/17/08/36/388170836.db2.gz FVFIKSXIVXGMFO-FZMZJTMJSA-N 0 3 236.334 3.231 20 0 BGADHN C[C@@H]1CCCC[C@@H]1N(C)Cc1ccncc1F ZINC000449310268 388170814 /nfs/dbraw/zinc/17/08/14/388170814.db2.gz FVFIKSXIVXGMFO-RISCZKNCSA-N 0 3 236.334 3.231 20 0 BGADHN C[C@H]1CCCC[C@H]1N(C)Cc1ccncc1F ZINC000449310269 388170535 /nfs/dbraw/zinc/17/05/35/388170535.db2.gz FVFIKSXIVXGMFO-SMDDNHRTSA-N 0 3 236.334 3.231 20 0 BGADHN CC1(C)SC[C@H]1NCc1cccc2ccoc21 ZINC000449312283 388171360 /nfs/dbraw/zinc/17/13/60/388171360.db2.gz MDMIHXPKCSZFMJ-GFCCVEGCSA-N 0 3 247.363 3.416 20 0 BGADHN CC1(C)SC[C@@H]1NCc1cccc2ccoc21 ZINC000449312284 388171152 /nfs/dbraw/zinc/17/11/52/388171152.db2.gz MDMIHXPKCSZFMJ-LBPRGKRZSA-N 0 3 247.363 3.416 20 0 BGADHN COc1cc(C)ccc1CN1CC(C2CCC2)C1 ZINC000449315936 201865375 /nfs/dbraw/zinc/86/53/75/201865375.db2.gz KORZKQJWBSMSPV-UHFFFAOYSA-N 0 3 245.366 3.236 20 0 BGADHN Cc1cc(CN2CC(C3CCC3)C2)cs1 ZINC000449316147 388171684 /nfs/dbraw/zinc/17/16/84/388171684.db2.gz LTEAHZVQBCTCAT-UHFFFAOYSA-N 0 3 221.369 3.288 20 0 BGADHN FC(F)[C@H]1C[C@@H]1NCc1cccc2ccoc21 ZINC000449320128 388172782 /nfs/dbraw/zinc/17/27/82/388172782.db2.gz MMNBORYNBHWWJG-QWRGUYRKSA-N 0 3 237.249 3.176 20 0 BGADHN CC1(C)CC[C@@H]1NCc1ccnn1C1CCCC1 ZINC000449320404 388172779 /nfs/dbraw/zinc/17/27/79/388172779.db2.gz NXNBKODVARPIQY-AWEZNQCLSA-N 0 3 247.386 3.276 20 0 BGADHN CC1(C)CC[C@H]1NCc1ccnn1C1CCCC1 ZINC000449320405 388172259 /nfs/dbraw/zinc/17/22/59/388172259.db2.gz NXNBKODVARPIQY-CQSZACIVSA-N 0 3 247.386 3.276 20 0 BGADHN Cc1cc(CNCC2(C(F)(F)F)CC2)cs1 ZINC000449322307 388172196 /nfs/dbraw/zinc/17/21/96/388172196.db2.gz OZMHTFQSHYXGDP-UHFFFAOYSA-N 0 3 249.301 3.489 20 0 BGADHN C[C@@H](CC(C)(C)C)N[C@H](c1nccn1C)C1CC1 ZINC000449322459 383850418 /nfs/dbraw/zinc/85/04/18/383850418.db2.gz PLMPBBDOWSMNPX-AAEUAGOBSA-N 0 3 249.402 3.286 20 0 BGADHN C[C@H](CC(C)(C)C)N[C@@H](c1nccn1C)C1CC1 ZINC000449322460 383852096 /nfs/dbraw/zinc/85/20/96/383852096.db2.gz PLMPBBDOWSMNPX-DGCLKSJQSA-N 0 3 249.402 3.286 20 0 BGADHN C[C@@H](CC(C)(C)C)N[C@@H](c1nccn1C)C1CC1 ZINC000449322461 383850876 /nfs/dbraw/zinc/85/08/76/383850876.db2.gz PLMPBBDOWSMNPX-WCQYABFASA-N 0 3 249.402 3.286 20 0 BGADHN C[C@H](CC(C)(C)C)N[C@H](c1nccn1C)C1CC1 ZINC000449322462 383851075 /nfs/dbraw/zinc/85/10/75/383851075.db2.gz PLMPBBDOWSMNPX-YPMHNXCESA-N 0 3 249.402 3.286 20 0 BGADHN CC1(C)C(NCc2cc3cccnc3o2)C1(C)C ZINC000449326614 388173016 /nfs/dbraw/zinc/17/30/16/388173016.db2.gz XPXWYFPXZHRBFN-UHFFFAOYSA-N 0 3 244.338 3.352 20 0 BGADHN CCC(CC)N(CC)Cc1ccncc1F ZINC000449327503 388173642 /nfs/dbraw/zinc/17/36/42/388173642.db2.gz DRWXCJDNCULPNO-UHFFFAOYSA-N 0 3 224.323 3.231 20 0 BGADHN CC[C@@H](NCc1noc2c1CCCC2)C1CCC1 ZINC000449329643 388173433 /nfs/dbraw/zinc/17/34/33/388173433.db2.gz PBOACUUMIJTOOL-CYBMUJFWSA-N 0 3 248.370 3.222 20 0 BGADHN CC[C@H](NCc1noc2c1CCCC2)C1CCC1 ZINC000449329644 388173436 /nfs/dbraw/zinc/17/34/36/388173436.db2.gz PBOACUUMIJTOOL-ZDUSSCGKSA-N 0 3 248.370 3.222 20 0 BGADHN COc1cccc2c(CN[C@H](C)CF)cccc12 ZINC000449329942 388174561 /nfs/dbraw/zinc/17/45/61/388174561.db2.gz KEBYSYPIPOWUEB-LLVKDONJSA-N 0 3 247.313 3.296 20 0 BGADHN COc1cccc2c(CN[C@@H](C)CF)cccc12 ZINC000449329943 388174572 /nfs/dbraw/zinc/17/45/72/388174572.db2.gz KEBYSYPIPOWUEB-NSHDSACASA-N 0 3 247.313 3.296 20 0 BGADHN Cc1cccc(CN[C@H]2CC[C@@H](F)C2)c1F ZINC000449330468 388174623 /nfs/dbraw/zinc/17/46/23/388174623.db2.gz LNJYGRNJNFEISV-NEPJUHHUSA-N 0 3 225.282 3.114 20 0 BGADHN Cc1cccc(CN[C@@H]2CC[C@H](F)C2)c1F ZINC000449330469 388174182 /nfs/dbraw/zinc/17/41/82/388174182.db2.gz LNJYGRNJNFEISV-NWDGAFQWSA-N 0 3 225.282 3.114 20 0 BGADHN Cc1cccc(CN[C@H]2CC[C@H](F)C2)c1F ZINC000449330470 388174199 /nfs/dbraw/zinc/17/41/99/388174199.db2.gz LNJYGRNJNFEISV-RYUDHWBXSA-N 0 3 225.282 3.114 20 0 BGADHN Cc1cccc(CN[C@@H]2CC[C@@H](F)C2)c1F ZINC000449330471 388174107 /nfs/dbraw/zinc/17/41/07/388174107.db2.gz LNJYGRNJNFEISV-VXGBXAGGSA-N 0 3 225.282 3.114 20 0 BGADHN CCOC1CC(N(C)Cc2csc(C)c2)C1 ZINC000449330872 388174587 /nfs/dbraw/zinc/17/45/87/388174587.db2.gz MLBYCUFNHGWEPJ-UHFFFAOYSA-N 0 3 239.384 3.056 20 0 BGADHN FC1(CCNCc2cc3cccnc3o2)CCC1 ZINC000449331178 388174627 /nfs/dbraw/zinc/17/46/27/388174627.db2.gz NJUWWQWPRCMESQ-UHFFFAOYSA-N 0 3 248.301 3.200 20 0 BGADHN C[C@H](CF)N[C@H](C)Cc1coc2ccccc12 ZINC000449334400 388174995 /nfs/dbraw/zinc/17/49/95/388174995.db2.gz XGWIDZDLTFDZPT-GHMZBOCLSA-N 0 3 235.302 3.311 20 0 BGADHN C[C@H](Cc1coc2ccccc12)N[C@@H](C)CF ZINC000449334402 388175479 /nfs/dbraw/zinc/17/54/79/388175479.db2.gz XGWIDZDLTFDZPT-MNOVXSKESA-N 0 3 235.302 3.311 20 0 BGADHN C[C@@H](CF)N[C@@H](C)Cc1coc2ccccc12 ZINC000449334404 388174843 /nfs/dbraw/zinc/17/48/43/388174843.db2.gz XGWIDZDLTFDZPT-QWRGUYRKSA-N 0 3 235.302 3.311 20 0 BGADHN C[C@H](CF)N[C@@H](C)Cc1coc2ccccc12 ZINC000449334405 388174868 /nfs/dbraw/zinc/17/48/68/388174868.db2.gz XGWIDZDLTFDZPT-WDEREUQCSA-N 0 3 235.302 3.311 20 0 BGADHN Fc1cnccc1CN(C1CCC1)C1CCC1 ZINC000449338226 201873632 /nfs/dbraw/zinc/87/36/32/201873632.db2.gz FXSYVYPWOMMQEP-UHFFFAOYSA-N 0 3 234.318 3.128 20 0 BGADHN Cc1cc(CN[C@@H](C)c2cc[nH]c(=O)c2)cs1 ZINC000449338232 388175932 /nfs/dbraw/zinc/17/59/32/388175932.db2.gz FZMZPAWKQZGBCB-JTQLQIEISA-N 0 3 248.351 3.008 20 0 BGADHN Cc1cc(CN[C@H](C)c2cc[nH]c(=O)c2)cs1 ZINC000449338233 388175742 /nfs/dbraw/zinc/17/57/42/388175742.db2.gz FZMZPAWKQZGBCB-SNVBAGLBSA-N 0 3 248.351 3.008 20 0 BGADHN CCc1noc(C)c1CN[C@@H](C)CC(C)(C)C ZINC000449339372 388175702 /nfs/dbraw/zinc/17/57/02/388175702.db2.gz JSFIBZZBFBULJF-JTQLQIEISA-N 0 3 238.375 3.460 20 0 BGADHN CCc1noc(C)c1CN[C@H](C)CC(C)(C)C ZINC000449339373 388176089 /nfs/dbraw/zinc/17/60/89/388176089.db2.gz JSFIBZZBFBULJF-SNVBAGLBSA-N 0 3 238.375 3.460 20 0 BGADHN CC(C)(C)C(C)(C)CNCc1ccncc1F ZINC000449340431 398292665 /nfs/dbraw/zinc/29/26/65/398292665.db2.gz OOQZEUMKJPOWQV-UHFFFAOYSA-N 0 3 238.350 3.383 20 0 BGADHN CCc1noc(C)c1CN[C@H]1CCCC12CCC2 ZINC000449340584 388175907 /nfs/dbraw/zinc/17/59/07/388175907.db2.gz PDJFSZRISGFHPR-AWEZNQCLSA-N 0 3 248.370 3.358 20 0 BGADHN CCc1noc(C)c1CN[C@@H]1CCCC12CCC2 ZINC000449340585 388175863 /nfs/dbraw/zinc/17/58/63/388175863.db2.gz PDJFSZRISGFHPR-CQSZACIVSA-N 0 3 248.370 3.358 20 0 BGADHN CC(C)(C)C(C)(C)NCc1ccncc1F ZINC000449341168 398293377 /nfs/dbraw/zinc/29/33/77/398293377.db2.gz SDELTAYHBWYCBL-UHFFFAOYSA-N 0 3 224.323 3.135 20 0 BGADHN CCOCC(C)(C)NCc1cccc2ccoc21 ZINC000449341609 388176839 /nfs/dbraw/zinc/17/68/39/388176839.db2.gz UZUWKYYYTAMBKE-UHFFFAOYSA-N 0 3 247.338 3.338 20 0 BGADHN CC[C@H]1CC[C@H](NCc2ccncc2F)CC1 ZINC000449341616 398293355 /nfs/dbraw/zinc/29/33/55/398293355.db2.gz VBVPMTANGRVEOW-AULYBMBSSA-N 0 3 236.334 3.279 20 0 BGADHN CC[C@@H]1CCN1Cc1cccc(C)c1F ZINC000449342046 388176821 /nfs/dbraw/zinc/17/68/21/388176821.db2.gz YROVYIAGGDRHEE-GFCCVEGCSA-N 0 3 207.292 3.118 20 0 BGADHN CC[C@H]1CCN1Cc1cccc(C)c1F ZINC000449342047 388176705 /nfs/dbraw/zinc/17/67/05/388176705.db2.gz YROVYIAGGDRHEE-LBPRGKRZSA-N 0 3 207.292 3.118 20 0 BGADHN Cc1cccc(CCN[C@H]2CCC[C@H]2F)c1 ZINC000449342551 388176797 /nfs/dbraw/zinc/17/67/97/388176797.db2.gz CFFSEYHZMKMCMH-KGLIPLIRSA-N 0 3 221.319 3.018 20 0 BGADHN Cc1cccc(CCN[C@@H]2CCC[C@@H]2F)c1 ZINC000449342552 388177290 /nfs/dbraw/zinc/17/72/90/388177290.db2.gz CFFSEYHZMKMCMH-UONOGXRCSA-N 0 3 221.319 3.018 20 0 BGADHN F[C@@H]1CCC[C@@H]1NCc1cccc2ccoc21 ZINC000449342583 388176659 /nfs/dbraw/zinc/17/66/59/388176659.db2.gz CMRMHJJPROLJEF-OLZOCXBDSA-N 0 3 233.286 3.413 20 0 BGADHN F[C@H]1CCC[C@H]1NCc1cccc2ccoc21 ZINC000449342584 388176912 /nfs/dbraw/zinc/17/69/12/388176912.db2.gz CMRMHJJPROLJEF-QWHCGFSZSA-N 0 3 233.286 3.413 20 0 BGADHN CC(C)(CCNCc1ccncc1F)C1CC1 ZINC000449342590 398293190 /nfs/dbraw/zinc/29/31/90/398293190.db2.gz CNNYHGLHKRVWBQ-UHFFFAOYSA-N 0 3 236.334 3.137 20 0 BGADHN FC[C@H]1CCCN1Cc1cccc2ccoc21 ZINC000449342882 388176717 /nfs/dbraw/zinc/17/67/17/388176717.db2.gz FZMRJCBATLIPBS-CYBMUJFWSA-N 0 3 233.286 3.367 20 0 BGADHN FC[C@@H]1CCCN1Cc1cccc2ccoc21 ZINC000449342883 388176778 /nfs/dbraw/zinc/17/67/78/388176778.db2.gz FZMRJCBATLIPBS-ZDUSSCGKSA-N 0 3 233.286 3.367 20 0 BGADHN CC(C)C1(NCc2ccnn2C2CCCC2)CC1 ZINC000449343052 388177122 /nfs/dbraw/zinc/17/71/22/388177122.db2.gz HJVKDGWRRBNFCK-UHFFFAOYSA-N 0 3 247.386 3.276 20 0 BGADHN CC(C)C1(NCc2cc3cccnc3o2)CC1 ZINC000449343837 388176865 /nfs/dbraw/zinc/17/68/65/388176865.db2.gz NMMSGZVUUSCPLG-UHFFFAOYSA-N 0 3 230.311 3.106 20 0 BGADHN CC(C)(C)C1CC(NCc2ccncc2F)C1 ZINC000449343899 398271307 /nfs/dbraw/zinc/27/13/07/398271307.db2.gz OAYLAYWQGXUVEF-UHFFFAOYSA-N 0 3 236.334 3.135 20 0 BGADHN CC1(C)CN(Cc2ccncc2F)[C@@H]2CCC[C@@H]21 ZINC000449343983 388178231 /nfs/dbraw/zinc/17/82/31/388178231.db2.gz OSGVCRAQYOKXHW-GXTWGEPZSA-N 0 3 248.345 3.231 20 0 BGADHN CC1(C)CN(Cc2ccncc2F)[C@H]2CCC[C@@H]21 ZINC000449343984 388178133 /nfs/dbraw/zinc/17/81/33/388178133.db2.gz OSGVCRAQYOKXHW-JSGCOSHPSA-N 0 3 248.345 3.231 20 0 BGADHN CC1(C)CN(Cc2ccncc2F)[C@H]2CCC[C@H]21 ZINC000449343985 388177926 /nfs/dbraw/zinc/17/79/26/388177926.db2.gz OSGVCRAQYOKXHW-OCCSQVGLSA-N 0 3 248.345 3.231 20 0 BGADHN CC1(C)CN(Cc2ccncc2F)[C@@H]2CCC[C@H]21 ZINC000449343986 388178109 /nfs/dbraw/zinc/17/81/09/388178109.db2.gz OSGVCRAQYOKXHW-TZMCWYRMSA-N 0 3 248.345 3.231 20 0 BGADHN CC1(C)CCC[C@@H]1CNCc1ccncc1F ZINC000449343999 398293421 /nfs/dbraw/zinc/29/34/21/398293421.db2.gz OVEMPVBLLPZFLO-GFCCVEGCSA-N 0 3 236.334 3.137 20 0 BGADHN CC1(C)CCC[C@H]1CNCc1ccncc1F ZINC000449344000 201876316 /nfs/dbraw/zinc/87/63/16/201876316.db2.gz OVEMPVBLLPZFLO-LBPRGKRZSA-N 0 3 236.334 3.137 20 0 BGADHN COc1cc(C)ccc1CNC1(C(C)C)CC1 ZINC000449345517 388177637 /nfs/dbraw/zinc/17/76/37/388177637.db2.gz WFBHXEFZLMAHIP-UHFFFAOYSA-N 0 3 233.355 3.282 20 0 BGADHN C[C@]1(F)CCCN(Cc2cccc3[nH]ccc32)C1 ZINC000449346801 383928080 /nfs/dbraw/zinc/92/80/80/383928080.db2.gz AHSYBGHDJXAWKQ-HNNXBMFYSA-N 0 3 246.329 3.492 20 0 BGADHN C[C@@]1(F)CCCN(Cc2cccc3[nH]ccc32)C1 ZINC000449346803 383927269 /nfs/dbraw/zinc/92/72/69/383927269.db2.gz AHSYBGHDJXAWKQ-OAHLLOKOSA-N 0 3 246.329 3.492 20 0 BGADHN Cc1ccsc1CN1CCC[C@@](C)(F)C1 ZINC000449347110 388178162 /nfs/dbraw/zinc/17/81/62/388178162.db2.gz BOSBICVBJVROAU-GFCCVEGCSA-N 0 3 227.348 3.381 20 0 BGADHN Cc1ccsc1CN1CCC[C@](C)(F)C1 ZINC000449347111 388176689 /nfs/dbraw/zinc/17/66/89/388176689.db2.gz BOSBICVBJVROAU-LBPRGKRZSA-N 0 3 227.348 3.381 20 0 BGADHN CC[C@@H]1C[C@@H](CN2CCC[C@@](C)(F)C2)CCO1 ZINC000449347326 388177852 /nfs/dbraw/zinc/17/78/52/388177852.db2.gz BSMIHMQPBNLUMB-BFHYXJOUSA-N 0 3 243.366 3.016 20 0 BGADHN CC[C@@H]1C[C@H](CN2CCC[C@](C)(F)C2)CCO1 ZINC000449347327 388177840 /nfs/dbraw/zinc/17/78/40/388177840.db2.gz BSMIHMQPBNLUMB-MCIONIFRSA-N 0 3 243.366 3.016 20 0 BGADHN CC[C@@H]1C[C@H](CN2CCC[C@@](C)(F)C2)CCO1 ZINC000449347328 383926922 /nfs/dbraw/zinc/92/69/22/383926922.db2.gz BSMIHMQPBNLUMB-MGPQQGTHSA-N 0 3 243.366 3.016 20 0 BGADHN CC[C@@H]1C[C@@H](CN2CCC[C@](C)(F)C2)CCO1 ZINC000449347329 383927041 /nfs/dbraw/zinc/92/70/41/383927041.db2.gz BSMIHMQPBNLUMB-MJBXVCDLSA-N 0 3 243.366 3.016 20 0 BGADHN COC1(CN2CCC[C@@](C)(F)C2)CCCCC1 ZINC000449350224 388177544 /nfs/dbraw/zinc/17/75/44/388177544.db2.gz LKMZMYDSHXFCEI-CYBMUJFWSA-N 0 3 243.366 3.160 20 0 BGADHN COC1(CN2CCC[C@](C)(F)C2)CCCCC1 ZINC000449350226 388178103 /nfs/dbraw/zinc/17/81/03/388178103.db2.gz LKMZMYDSHXFCEI-ZDUSSCGKSA-N 0 3 243.366 3.160 20 0 BGADHN C[C@]1(F)CCCN(CCc2ccccc2)C1 ZINC000449351057 388178643 /nfs/dbraw/zinc/17/86/43/388178643.db2.gz NYYPYGPIZOGLCR-AWEZNQCLSA-N 0 3 221.319 3.053 20 0 BGADHN C[C@@]1(F)CCCN(CCc2ccccc2)C1 ZINC000449351058 388179006 /nfs/dbraw/zinc/17/90/06/388179006.db2.gz NYYPYGPIZOGLCR-CQSZACIVSA-N 0 3 221.319 3.053 20 0 BGADHN Cc1ccccc1CN1CCC[C@](C)(F)C1 ZINC000449351067 388178617 /nfs/dbraw/zinc/17/86/17/388178617.db2.gz ODHCMHORGNLLAY-AWEZNQCLSA-N 0 3 221.319 3.319 20 0 BGADHN Cc1ccccc1CN1CCC[C@@](C)(F)C1 ZINC000449351068 388178713 /nfs/dbraw/zinc/17/87/13/388178713.db2.gz ODHCMHORGNLLAY-CQSZACIVSA-N 0 3 221.319 3.319 20 0 BGADHN CSC1(CN2CCC[C@@](C)(F)C2)CCC1 ZINC000449351488 388179150 /nfs/dbraw/zinc/17/91/50/388179150.db2.gz PVLUCDBBBIRTJT-LLVKDONJSA-N 0 3 231.380 3.096 20 0 BGADHN CSC1(CN2CCC[C@](C)(F)C2)CCC1 ZINC000449351489 388179046 /nfs/dbraw/zinc/17/90/46/388179046.db2.gz PVLUCDBBBIRTJT-NSHDSACASA-N 0 3 231.380 3.096 20 0 BGADHN CC(C)N(Cc1cccc2ccoc21)C1COC1 ZINC000449351541 388178630 /nfs/dbraw/zinc/17/86/30/388178630.db2.gz PBBDHEAOYXDQRR-UHFFFAOYSA-N 0 3 245.322 3.042 20 0 BGADHN C[C@]1(F)CCCN(CCCC2CCOCC2)C1 ZINC000449351648 388180143 /nfs/dbraw/zinc/18/01/43/388180143.db2.gz QDHWQZHGPNWGJY-AWEZNQCLSA-N 0 3 243.366 3.017 20 0 BGADHN C[C@@]1(F)CCCN(CCCC2CCOCC2)C1 ZINC000449351649 388180307 /nfs/dbraw/zinc/18/03/07/388180307.db2.gz QDHWQZHGPNWGJY-CQSZACIVSA-N 0 3 243.366 3.017 20 0 BGADHN C[C@@]1(F)CCCN(Cc2ccccc2)C1 ZINC000449352380 388178952 /nfs/dbraw/zinc/17/89/52/388178952.db2.gz UOPLVZRQSDIMIR-CYBMUJFWSA-N 0 3 207.292 3.011 20 0 BGADHN C[C@]1(F)CCCN(Cc2ccccc2)C1 ZINC000449352381 388179121 /nfs/dbraw/zinc/17/91/21/388179121.db2.gz UOPLVZRQSDIMIR-ZDUSSCGKSA-N 0 3 207.292 3.011 20 0 BGADHN C[C@]1(F)CCCN(Cc2cccc3cc[nH]c32)C1 ZINC000449353206 388179931 /nfs/dbraw/zinc/17/99/31/388179931.db2.gz YXPGEJUJUGTKLC-HNNXBMFYSA-N 0 3 246.329 3.492 20 0 BGADHN C[C@@]1(F)CCCN(Cc2cccc3cc[nH]c32)C1 ZINC000449353207 388179718 /nfs/dbraw/zinc/17/97/18/388179718.db2.gz YXPGEJUJUGTKLC-OAHLLOKOSA-N 0 3 246.329 3.492 20 0 BGADHN CC(F)(F)CCNCc1scnc1C1CC1 ZINC000449354141 398290397 /nfs/dbraw/zinc/29/03/97/398290397.db2.gz KOSQTUDOESDVNO-UHFFFAOYSA-N 0 3 246.326 3.155 20 0 BGADHN CC(F)(F)CCNC/C=C\c1ccc(F)cc1 ZINC000449355052 388180660 /nfs/dbraw/zinc/18/06/60/388180660.db2.gz UUEVVNVJGOBLCN-IHWYPQMZSA-N 0 3 243.272 3.474 20 0 BGADHN CC(C)c1ncc(CNCCC(C)(F)F)s1 ZINC000449355314 388180796 /nfs/dbraw/zinc/18/07/96/388180796.db2.gz XYAANQFCOLTTTJ-UHFFFAOYSA-N 0 3 248.342 3.401 20 0 BGADHN COc1cc(C)ccc1CNCCC(C)(F)F ZINC000449355394 388180639 /nfs/dbraw/zinc/18/06/39/388180639.db2.gz YSZKSHCEDIEXLY-UHFFFAOYSA-N 0 3 243.297 3.139 20 0 BGADHN CSc1ccc(CNC2CC(C)(F)C2)cc1 ZINC000449369062 388183842 /nfs/dbraw/zinc/18/38/42/388183842.db2.gz AGPCRLHVHLMXFW-UHFFFAOYSA-N 0 3 239.359 3.389 20 0 BGADHN CCOc1cccc(CNC2CC(C)(F)C2)c1 ZINC000449369085 388183828 /nfs/dbraw/zinc/18/38/28/388183828.db2.gz AMJCARVOHXFHSA-UHFFFAOYSA-N 0 3 237.318 3.066 20 0 BGADHN CC1(F)CC(NCc2coc3ccccc23)C1 ZINC000449369088 384023081 /nfs/dbraw/zinc/02/30/81/384023081.db2.gz ANMCNBDGYFEJEH-UHFFFAOYSA-N 0 3 233.286 3.413 20 0 BGADHN CC1(F)CC(NCc2ccccc2Cl)C1 ZINC000449369107 388184400 /nfs/dbraw/zinc/18/44/00/388184400.db2.gz ASQGOPOAWIZJFA-UHFFFAOYSA-N 0 3 227.710 3.320 20 0 BGADHN CC1(F)CC(NCc2cccc(Cl)c2F)C1 ZINC000449369250 388184411 /nfs/dbraw/zinc/18/44/11/388184411.db2.gz BGDTUHUUZBPWJH-UHFFFAOYSA-N 0 3 245.700 3.459 20 0 BGADHN CC[C@H](CN1CC2(CC2)C1)c1ccccc1 ZINC000449369414 398291669 /nfs/dbraw/zinc/29/16/69/398291669.db2.gz CFFQBRVCRMHZKB-CYBMUJFWSA-N 0 3 215.340 3.276 20 0 BGADHN CC[C@@H](CN1CC2(CC2)C1)c1ccccc1 ZINC000449369415 398300592 /nfs/dbraw/zinc/30/05/92/398300592.db2.gz CFFQBRVCRMHZKB-ZDUSSCGKSA-N 0 3 215.340 3.276 20 0 BGADHN Cc1oc2ccccc2c1CN1CC2(CC2)C1 ZINC000449369526 201886440 /nfs/dbraw/zinc/88/64/40/201886440.db2.gz CZASKCXDJQUPKE-UHFFFAOYSA-N 0 3 227.307 3.337 20 0 BGADHN c1ccc(CSCCN2CC3(CC3)C2)cc1 ZINC000449369544 384029626 /nfs/dbraw/zinc/02/96/26/384029626.db2.gz DHIJPFMGZRAPEM-UHFFFAOYSA-N 0 3 233.380 3.016 20 0 BGADHN CC(C)c1ccc(CN2CC3(CC3)C2)cc1 ZINC000449369584 398291549 /nfs/dbraw/zinc/29/15/49/398291549.db2.gz DYZAOUSCPCOCDW-UHFFFAOYSA-N 0 3 215.340 3.406 20 0 BGADHN COc1ccccc1/C=C\CNC1CC(C)(F)C1 ZINC000449369622 388184098 /nfs/dbraw/zinc/18/40/98/388184098.db2.gz FMBZUITYHLFYIZ-ALCCZGGFSA-N 0 3 249.329 3.189 20 0 BGADHN COc1ccccc1/C=C/CNC1CC(C)(F)C1 ZINC000449369623 388184087 /nfs/dbraw/zinc/18/40/87/388184087.db2.gz FMBZUITYHLFYIZ-FNORWQNLSA-N 0 3 249.329 3.189 20 0 BGADHN CC1(F)CC(NC/C=C\c2ccc(F)cc2)C1 ZINC000449369634 201887955 /nfs/dbraw/zinc/88/79/55/201887955.db2.gz FPVDFPLTHIGCSN-IHWYPQMZSA-N 0 3 237.293 3.319 20 0 BGADHN CC1(F)CC(NC/C=C/c2ccc(F)cc2)C1 ZINC000449369635 388184494 /nfs/dbraw/zinc/18/44/94/388184494.db2.gz FPVDFPLTHIGCSN-NSCUHMNNSA-N 0 3 237.293 3.319 20 0 BGADHN CC(C)CC(CC(C)C)N[C@H]1CCn2ccnc21 ZINC000449369783 388184446 /nfs/dbraw/zinc/18/44/46/388184446.db2.gz GAIPSQONMKJANW-AWEZNQCLSA-N 0 3 249.402 3.378 20 0 BGADHN CC(C)CC(CC(C)C)N[C@@H]1CCn2ccnc21 ZINC000449369784 388184569 /nfs/dbraw/zinc/18/45/69/388184569.db2.gz GAIPSQONMKJANW-CQSZACIVSA-N 0 3 249.402 3.378 20 0 BGADHN CCOc1ccccc1CNC1CC(C)(F)C1 ZINC000449370241 388184477 /nfs/dbraw/zinc/18/44/77/388184477.db2.gz IRZREJNPQIZEGE-UHFFFAOYSA-N 0 3 237.318 3.066 20 0 BGADHN Cc1ccc(CNC2CC(C)(F)C2)cc1F ZINC000449370268 388184275 /nfs/dbraw/zinc/18/42/75/388184275.db2.gz IXJZHUOYFDLQSL-UHFFFAOYSA-N 0 3 225.282 3.114 20 0 BGADHN Cc1cc(CNC2CC(C)(F)C2)ccc1F ZINC000449370295 388184532 /nfs/dbraw/zinc/18/45/32/388184532.db2.gz JGKMUKBDIPTWPF-UHFFFAOYSA-N 0 3 225.282 3.114 20 0 BGADHN CC1(F)CC(NCc2ccc(F)cc2Cl)C1 ZINC000449370477 388184321 /nfs/dbraw/zinc/18/43/21/388184321.db2.gz KHNPLIBFSPVUTD-UHFFFAOYSA-N 0 3 245.700 3.459 20 0 BGADHN CCOc1ccc(CNC2CC(C)(F)C2)cc1 ZINC000449370487 388183961 /nfs/dbraw/zinc/18/39/61/388183961.db2.gz KLNILRWRCWOAGO-UHFFFAOYSA-N 0 3 237.318 3.066 20 0 BGADHN c1ccc2cc(CN3CC4(CC4)C3)ccc2c1 ZINC000449370522 398292207 /nfs/dbraw/zinc/29/22/07/398292207.db2.gz KTUNEMIGLBFARQ-UHFFFAOYSA-N 0 3 223.319 3.436 20 0 BGADHN Cc1cc(C)c(CN2CC3(CC3)C2)c(C)c1 ZINC000449370619 398292195 /nfs/dbraw/zinc/29/21/95/398292195.db2.gz LGCMFWXOXGKKEK-UHFFFAOYSA-N 0 3 215.340 3.208 20 0 BGADHN CC1(F)CC(NCc2cc3ccccc3o2)C1 ZINC000449370625 388184407 /nfs/dbraw/zinc/18/44/07/388184407.db2.gz LGYVKGRBDAABRB-UHFFFAOYSA-N 0 3 233.286 3.413 20 0 BGADHN c1cc2c(cc1CN1CC3(CC3)C1)CCCC2 ZINC000449370690 398276666 /nfs/dbraw/zinc/27/66/66/398276666.db2.gz LTLJQBINGUXVOR-UHFFFAOYSA-N 0 3 227.351 3.161 20 0 BGADHN CC1(F)CC(NCc2cccc(Cl)c2)C1 ZINC000449370719 388184564 /nfs/dbraw/zinc/18/45/64/388184564.db2.gz LXEYXQNJUUSASG-UHFFFAOYSA-N 0 3 227.710 3.320 20 0 BGADHN CC(C)[C@@H]1CCC[C@H](N[C@@H]2CCn3ccnc32)C1 ZINC000449370742 388184547 /nfs/dbraw/zinc/18/45/47/388184547.db2.gz MABQEOOXUQBKBB-HZSPNIEDSA-N 0 3 247.386 3.132 20 0 BGADHN CC(C)[C@@H]1CCC[C@@H](N[C@H]2CCn3ccnc32)C1 ZINC000449370743 388184073 /nfs/dbraw/zinc/18/40/73/388184073.db2.gz MABQEOOXUQBKBB-MCIONIFRSA-N 0 3 247.386 3.132 20 0 BGADHN CC(C)[C@@H]1CCC[C@@H](N[C@@H]2CCn3ccnc32)C1 ZINC000449370744 388184389 /nfs/dbraw/zinc/18/43/89/388184389.db2.gz MABQEOOXUQBKBB-MGPQQGTHSA-N 0 3 247.386 3.132 20 0 BGADHN CC(C)[C@@H]1CCC[C@H](N[C@H]2CCn3ccnc32)C1 ZINC000449370745 388184006 /nfs/dbraw/zinc/18/40/06/388184006.db2.gz MABQEOOXUQBKBB-RDBSUJKOSA-N 0 3 247.386 3.132 20 0 BGADHN c1sc2ccccc2c1CN1CC2(CC2)C1 ZINC000449370754 398292160 /nfs/dbraw/zinc/29/21/60/398292160.db2.gz MDTWBPIOIDHSLO-UHFFFAOYSA-N 0 3 229.348 3.497 20 0 BGADHN CC1(F)CC(NC/C=C/c2ccccc2)C1 ZINC000449370807 384039997 /nfs/dbraw/zinc/03/99/97/384039997.db2.gz MWZJRARCYMDHGV-VMPITWQZSA-N 0 3 219.303 3.180 20 0 BGADHN CC1(F)CC(NC/C=C\c2ccccc2)C1 ZINC000449370808 384039748 /nfs/dbraw/zinc/03/97/48/384039748.db2.gz MWZJRARCYMDHGV-YVMONPNESA-N 0 3 219.303 3.180 20 0 BGADHN CC1(F)CC(NCc2ccc(Cl)cc2)C1 ZINC000449370854 384035886 /nfs/dbraw/zinc/03/58/86/384035886.db2.gz NQYLAAJZKPQFAS-UHFFFAOYSA-N 0 3 227.710 3.320 20 0 BGADHN Cc1ccc(F)c(CNC2CC(C)(F)C2)c1 ZINC000449370990 388183929 /nfs/dbraw/zinc/18/39/29/388183929.db2.gz PBPQRKGSKJOOSH-UHFFFAOYSA-N 0 3 225.282 3.114 20 0 BGADHN C[C@H]1C[C@H]1c1ccc(CNC2CC(C)(F)C2)o1 ZINC000449371071 388184554 /nfs/dbraw/zinc/18/45/54/388184554.db2.gz PZUDFKNCJGDHCQ-LWACRWBVSA-N 0 3 237.318 3.383 20 0 BGADHN C[C@@H]1C[C@H]1c1ccc(CNC2CC(C)(F)C2)o1 ZINC000449371072 388184571 /nfs/dbraw/zinc/18/45/71/388184571.db2.gz PZUDFKNCJGDHCQ-PMYIIUNVSA-N 0 3 237.318 3.383 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CNC2CC(C)(F)C2)o1 ZINC000449371073 388184311 /nfs/dbraw/zinc/18/43/11/388184311.db2.gz PZUDFKNCJGDHCQ-QOKDRFJFSA-N 0 3 237.318 3.383 20 0 BGADHN C[C@H]1C[C@@H]1c1ccc(CNC2CC(C)(F)C2)o1 ZINC000449371074 388184062 /nfs/dbraw/zinc/18/40/62/388184062.db2.gz PZUDFKNCJGDHCQ-XQXUWNMESA-N 0 3 237.318 3.383 20 0 BGADHN Cc1cc(F)ccc1CNC1CC(C)(F)C1 ZINC000449371096 384036617 /nfs/dbraw/zinc/03/66/17/384036617.db2.gz QGCZXJSYSNNWMV-UHFFFAOYSA-N 0 3 225.282 3.114 20 0 BGADHN CC1(F)CC(NCc2ccc(Cl)s2)C1 ZINC000449371110 388183881 /nfs/dbraw/zinc/18/38/81/388183881.db2.gz QKIWXDFPAAXDKP-UHFFFAOYSA-N 0 3 233.739 3.382 20 0 BGADHN CCCc1cccc(CN2CC3(CC3)C2)c1 ZINC000449371124 398292191 /nfs/dbraw/zinc/29/21/91/398292191.db2.gz QNMDUMXMHKYINZ-UHFFFAOYSA-N 0 3 215.340 3.235 20 0 BGADHN c1ccc2c(c1)cccc2CN1CC2(CC2)C1 ZINC000449371204 398314550 /nfs/dbraw/zinc/31/45/50/398314550.db2.gz RKKSGDXPMFGYKP-UHFFFAOYSA-N 0 3 223.319 3.436 20 0 BGADHN CCCC[C@@H]1CCC[C@@H]1N[C@@H]1CCn2ccnc21 ZINC000449371237 388185359 /nfs/dbraw/zinc/18/53/59/388185359.db2.gz RUMQYGULVDSYDK-HZSPNIEDSA-N 0 3 247.386 3.276 20 0 BGADHN CCCC[C@@H]1CCC[C@H]1N[C@H]1CCn2ccnc21 ZINC000449371238 388184677 /nfs/dbraw/zinc/18/46/77/388184677.db2.gz RUMQYGULVDSYDK-MCIONIFRSA-N 0 3 247.386 3.276 20 0 BGADHN CCCC[C@@H]1CCC[C@H]1N[C@@H]1CCn2ccnc21 ZINC000449371239 388185398 /nfs/dbraw/zinc/18/53/98/388185398.db2.gz RUMQYGULVDSYDK-MGPQQGTHSA-N 0 3 247.386 3.276 20 0 BGADHN CCCC[C@@H]1CCC[C@@H]1N[C@H]1CCn2ccnc21 ZINC000449371240 388184696 /nfs/dbraw/zinc/18/46/96/388184696.db2.gz RUMQYGULVDSYDK-RDBSUJKOSA-N 0 3 247.386 3.276 20 0 BGADHN C[C@H](CN1CC2(CC2)C1)c1ccc(F)cc1 ZINC000449371255 398292243 /nfs/dbraw/zinc/29/22/43/398292243.db2.gz RZIJGYYFGPBCMO-LLVKDONJSA-N 0 3 219.303 3.025 20 0 BGADHN C[C@@H](CN1CC2(CC2)C1)c1ccc(F)cc1 ZINC000449371256 398292142 /nfs/dbraw/zinc/29/21/42/398292142.db2.gz RZIJGYYFGPBCMO-NSHDSACASA-N 0 3 219.303 3.025 20 0 BGADHN CC(C)c1ncc(CNC2CC(C)(F)C2)s1 ZINC000449371269 388185556 /nfs/dbraw/zinc/18/55/56/388185556.db2.gz SHAURZKVZKIWMB-UHFFFAOYSA-N 0 3 242.363 3.247 20 0 BGADHN C[C@@H]1CC(C)(C)CC[C@@H]1N[C@H]1CCn2ccnc21 ZINC000449371427 388185165 /nfs/dbraw/zinc/18/51/65/388185165.db2.gz UVDQDIASDJCNRB-AGIUHOORSA-N 0 3 247.386 3.132 20 0 BGADHN C[C@@H]1CC(C)(C)CC[C@@H]1N[C@@H]1CCn2ccnc21 ZINC000449371428 388185554 /nfs/dbraw/zinc/18/55/54/388185554.db2.gz UVDQDIASDJCNRB-FRRDWIJNSA-N 0 3 247.386 3.132 20 0 BGADHN C[C@@H]1CC(C)(C)CC[C@H]1N[C@@H]1CCn2ccnc21 ZINC000449371429 388184794 /nfs/dbraw/zinc/18/47/94/388184794.db2.gz UVDQDIASDJCNRB-JHJVBQTASA-N 0 3 247.386 3.132 20 0 BGADHN C[C@@H]1CC(C)(C)CC[C@H]1N[C@H]1CCn2ccnc21 ZINC000449371430 388185376 /nfs/dbraw/zinc/18/53/76/388185376.db2.gz UVDQDIASDJCNRB-UPJWGTAASA-N 0 3 247.386 3.132 20 0 BGADHN c1cn2c(n1)[C@@H](NCCCC1CCCCC1)CC2 ZINC000449371538 388185452 /nfs/dbraw/zinc/18/54/52/388185452.db2.gz VZVFJYWASLWIIA-AWEZNQCLSA-N 0 3 247.386 3.278 20 0 BGADHN c1cn2c(n1)[C@H](NCCCC1CCCCC1)CC2 ZINC000449371539 388185346 /nfs/dbraw/zinc/18/53/46/388185346.db2.gz VZVFJYWASLWIIA-CQSZACIVSA-N 0 3 247.386 3.278 20 0 BGADHN CC1(F)CC(NCc2cc(Cl)ccc2F)C1 ZINC000449371549 388185093 /nfs/dbraw/zinc/18/50/93/388185093.db2.gz WDJPKXRKEANLDW-UHFFFAOYSA-N 0 3 245.700 3.459 20 0 BGADHN CC1(F)CC(NCc2ccc(F)c(Cl)c2)C1 ZINC000449371551 388185276 /nfs/dbraw/zinc/18/52/76/388185276.db2.gz WEJHXFMQXAXPPR-UHFFFAOYSA-N 0 3 245.700 3.459 20 0 BGADHN CCC[C@H](N[C@H]1CCn2ccnc21)C1CCCC1 ZINC000449371635 384038813 /nfs/dbraw/zinc/03/88/13/384038813.db2.gz XCOKIIOQIZOCPU-KBPBESRZSA-N 0 3 247.386 3.276 20 0 BGADHN CCC[C@@H](N[C@H]1CCn2ccnc21)C1CCCC1 ZINC000449371636 384038177 /nfs/dbraw/zinc/03/81/77/384038177.db2.gz XCOKIIOQIZOCPU-KGLIPLIRSA-N 0 3 247.386 3.276 20 0 BGADHN CCC[C@H](N[C@@H]1CCn2ccnc21)C1CCCC1 ZINC000449371637 384040211 /nfs/dbraw/zinc/04/02/11/384040211.db2.gz XCOKIIOQIZOCPU-UONOGXRCSA-N 0 3 247.386 3.276 20 0 BGADHN CCC[C@@H](N[C@@H]1CCn2ccnc21)C1CCCC1 ZINC000449371638 384040515 /nfs/dbraw/zinc/04/05/15/384040515.db2.gz XCOKIIOQIZOCPU-ZIAGYGMSSA-N 0 3 247.386 3.276 20 0 BGADHN C/C(=C/c1ccccc1)CN1CC2(CC2)C1 ZINC000449371711 398292182 /nfs/dbraw/zinc/29/21/82/398292182.db2.gz XXXDNPUHXCISLV-LCYFTJDESA-N 0 3 213.324 3.186 20 0 BGADHN C/C(=C\c1ccccc1)CN1CC2(CC2)C1 ZINC000449371712 398292221 /nfs/dbraw/zinc/29/22/21/398292221.db2.gz XXXDNPUHXCISLV-UKTHLTGXSA-N 0 3 213.324 3.186 20 0 BGADHN Cc1cc(C)c(CN2CC3(CC3)C2)cc1C ZINC000449371749 398292209 /nfs/dbraw/zinc/29/22/09/398292209.db2.gz YHJHFDXQWHIBFY-UHFFFAOYSA-N 0 3 215.340 3.208 20 0 BGADHN CC1(F)CC(NCc2ccc(Cl)c(F)c2)C1 ZINC000449371799 388185061 /nfs/dbraw/zinc/18/50/61/388185061.db2.gz YXVOVMYKVLRLNJ-UHFFFAOYSA-N 0 3 245.700 3.459 20 0 BGADHN C[C@H](CCN1CC2(CC2)C1)c1ccccc1 ZINC000449371820 398292451 /nfs/dbraw/zinc/29/24/51/398292451.db2.gz ZBAXJQFPFLMNJE-CYBMUJFWSA-N 0 3 215.340 3.276 20 0 BGADHN C[C@@H](CCN1CC2(CC2)C1)c1ccccc1 ZINC000449371821 398292487 /nfs/dbraw/zinc/29/24/87/398292487.db2.gz ZBAXJQFPFLMNJE-ZDUSSCGKSA-N 0 3 215.340 3.276 20 0 BGADHN C[C@H](CCc1cccc(F)c1)N1CC2(CC2)C1 ZINC000449371826 398276933 /nfs/dbraw/zinc/27/69/33/398276933.db2.gz ZBWKMQGDRDILBY-GFCCVEGCSA-N 0 3 233.330 3.243 20 0 BGADHN C[C@@H](CCc1cccc(F)c1)N1CC2(CC2)C1 ZINC000449371827 398292177 /nfs/dbraw/zinc/29/21/77/398292177.db2.gz ZBWKMQGDRDILBY-LBPRGKRZSA-N 0 3 233.330 3.243 20 0 BGADHN CCOC[C@H](C)N[C@H](C)c1ccc(F)c(C)c1 ZINC000449372298 388184659 /nfs/dbraw/zinc/18/46/59/388184659.db2.gz FUFCHQHXJQVQHD-NWDGAFQWSA-N 0 3 239.334 3.210 20 0 BGADHN CCOC[C@@H](C)N[C@H](C)c1ccc(F)c(C)c1 ZINC000449372299 388184712 /nfs/dbraw/zinc/18/47/12/388184712.db2.gz FUFCHQHXJQVQHD-VXGBXAGGSA-N 0 3 239.334 3.210 20 0 BGADHN Cc1cc([C@@H](C)NCc2cccnc2)ccc1F ZINC000449372839 201890105 /nfs/dbraw/zinc/89/01/05/201890105.db2.gz LMDYFVKSVZWFJT-GFCCVEGCSA-N 0 3 244.313 3.380 20 0 BGADHN Cc1cc([C@@H](C)NCc2ccncc2)ccc1F ZINC000449373195 388184808 /nfs/dbraw/zinc/18/48/08/388184808.db2.gz PGCKSWHMVICGIP-GFCCVEGCSA-N 0 3 244.313 3.380 20 0 BGADHN Fc1ccc(C2CC2)cc1CNCC1CC1 ZINC000449373498 384048117 /nfs/dbraw/zinc/04/81/17/384048117.db2.gz RIWOZXZMMPAFMA-UHFFFAOYSA-N 0 3 219.303 3.203 20 0 BGADHN c1[nH]nc2c1cccc2CNCC1=CCCCC1 ZINC000449374461 388185820 /nfs/dbraw/zinc/18/58/20/388185820.db2.gz ARXBXXCWGYGVKN-UHFFFAOYSA-N 0 3 241.338 3.153 20 0 BGADHN CC1(F)CC(NCc2ccc3occc3c2)C1 ZINC000449374515 201889995 /nfs/dbraw/zinc/88/99/95/201889995.db2.gz BEZHMRLJRUHKFY-UHFFFAOYSA-N 0 3 233.286 3.413 20 0 BGADHN CCC[C@@H](CNCc1ccc2occc2c1)OC ZINC000449374600 388185884 /nfs/dbraw/zinc/18/58/84/388185884.db2.gz FTWUAXLFHTZHFM-AWEZNQCLSA-N 0 3 247.338 3.338 20 0 BGADHN CCC[C@H](CNCc1ccc2occc2c1)OC ZINC000449374601 388186118 /nfs/dbraw/zinc/18/61/18/388186118.db2.gz FTWUAXLFHTZHFM-CQSZACIVSA-N 0 3 247.338 3.338 20 0 BGADHN COc1ccsc1CNCC1=CCCCC1 ZINC000449374656 388186340 /nfs/dbraw/zinc/18/63/40/388186340.db2.gz BLDDOCMPGSKFLB-UHFFFAOYSA-N 0 3 237.368 3.347 20 0 BGADHN CCOc1cccc(CNCC2=CCCCC2)n1 ZINC000449374659 388186057 /nfs/dbraw/zinc/18/60/57/388186057.db2.gz BLWMAGNKJCIYCE-UHFFFAOYSA-N 0 3 246.354 3.070 20 0 BGADHN CSc1ccc(CNC2CC(C)(F)C2)s1 ZINC000449375098 388186107 /nfs/dbraw/zinc/18/61/07/388186107.db2.gz FGYPAUJKTDXBPK-UHFFFAOYSA-N 0 3 245.388 3.450 20 0 BGADHN Cc1ccc(F)cc1CNC1CC(C)(F)C1 ZINC000449375673 388186298 /nfs/dbraw/zinc/18/62/98/388186298.db2.gz IIYHTIXZIHUXLH-UHFFFAOYSA-N 0 3 225.282 3.114 20 0 BGADHN CC1(F)CC(NCc2ccsc2Cl)C1 ZINC000449375714 200666503 /nfs/dbraw/zinc/66/65/03/200666503.db2.gz IRLBPNLJXVUYRA-UHFFFAOYSA-N 0 3 233.739 3.382 20 0 BGADHN CC1(F)CC(NCc2cc(F)cc(Cl)c2)C1 ZINC000449375844 388185733 /nfs/dbraw/zinc/18/57/33/388185733.db2.gz JPTOWPOIFANHMO-UHFFFAOYSA-N 0 3 245.700 3.459 20 0 BGADHN CC1(F)CC(NCc2scnc2C2CC2)C1 ZINC000449376140 398296007 /nfs/dbraw/zinc/29/60/07/398296007.db2.gz KYACWENZEGHIFR-UHFFFAOYSA-N 0 3 240.347 3.001 20 0 BGADHN CCc1ccc(CNCC2=CCCCC2)cn1 ZINC000449376356 388186731 /nfs/dbraw/zinc/18/67/31/388186731.db2.gz MPZYTLOLUVABEK-UHFFFAOYSA-N 0 3 230.355 3.234 20 0 BGADHN CCc1cccc(F)c1CNC1CC(C)(F)C1 ZINC000449376375 388186952 /nfs/dbraw/zinc/18/69/52/388186952.db2.gz MWYKTLUTNZVHDA-UHFFFAOYSA-N 0 3 239.309 3.368 20 0 BGADHN CC1(F)CC(NCc2cccc3ccoc32)C1 ZINC000449376415 388186796 /nfs/dbraw/zinc/18/67/96/388186796.db2.gz NFTAYIUCPDZIMT-UHFFFAOYSA-N 0 3 233.286 3.413 20 0 BGADHN CCC[C@@H](CNCc1cccc2ccoc21)OC ZINC000449376930 388187114 /nfs/dbraw/zinc/18/71/14/388187114.db2.gz NIGVWNIAHYSVMX-AWEZNQCLSA-N 0 3 247.338 3.338 20 0 BGADHN CCC[C@H](CNCc1cccc2ccoc21)OC ZINC000449376931 388187083 /nfs/dbraw/zinc/18/70/83/388187083.db2.gz NIGVWNIAHYSVMX-CQSZACIVSA-N 0 3 247.338 3.338 20 0 BGADHN CC1(F)CC(NCc2sccc2Cl)C1 ZINC000449376969 388186718 /nfs/dbraw/zinc/18/67/18/388186718.db2.gz QKBBQVPVTFNNQK-UHFFFAOYSA-N 0 3 233.739 3.382 20 0 BGADHN Cc1cccc(CNC2CC(C)(F)C2)c1F ZINC000449377186 388186705 /nfs/dbraw/zinc/18/67/05/388186705.db2.gz RQSPGCZCGAQUEV-UHFFFAOYSA-N 0 3 225.282 3.114 20 0 BGADHN c1[nH]nc2cc(CNCC3=CCCCC3)ccc12 ZINC000449377225 388186694 /nfs/dbraw/zinc/18/66/94/388186694.db2.gz SBKMHIPPNBUJEM-UHFFFAOYSA-N 0 3 241.338 3.153 20 0 BGADHN CC(C)(C)c1n[nH]cc1CNCC1=CCCCC1 ZINC000449377354 384073803 /nfs/dbraw/zinc/07/38/03/384073803.db2.gz SJTXVWVNKBZNAO-UHFFFAOYSA-N 0 3 247.386 3.297 20 0 BGADHN c1c2cccnc2oc1CNCC1=CCCCC1 ZINC000449378468 384081853 /nfs/dbraw/zinc/08/18/53/384081853.db2.gz WTYPKQWTZVUKRZ-UHFFFAOYSA-N 0 3 242.322 3.418 20 0 BGADHN CCC[C@@H](NC(CF)CF)C1CCCC1 ZINC000449378482 388188195 /nfs/dbraw/zinc/18/81/95/388188195.db2.gz DYDIFKXUAMOUNT-GFCCVEGCSA-N 0 3 219.319 3.243 20 0 BGADHN CCC[C@H](NC(CF)CF)C1CCCC1 ZINC000449378483 388188022 /nfs/dbraw/zinc/18/80/22/388188022.db2.gz DYDIFKXUAMOUNT-LBPRGKRZSA-N 0 3 219.319 3.243 20 0 BGADHN Cc1ccccc1CCN(C)Cc1ccco1 ZINC000449378648 384082108 /nfs/dbraw/zinc/08/21/08/384082108.db2.gz FCGSLTPCSJTXFW-UHFFFAOYSA-N 0 3 229.323 3.263 20 0 BGADHN CC1(F)CC(NCc2ccc(Cl)cc2F)C1 ZINC000449378743 388187584 /nfs/dbraw/zinc/18/75/84/388187584.db2.gz XNYGDXASCVBORM-UHFFFAOYSA-N 0 3 245.700 3.459 20 0 BGADHN c1coc(CNCC[C@@H]2CCc3ccccc32)c1 ZINC000449379004 384081663 /nfs/dbraw/zinc/08/16/63/384081663.db2.gz SDTBHKAPDLRXQX-AWEZNQCLSA-N 0 3 241.334 3.489 20 0 BGADHN c1coc(CNCC[C@H]2CCc3ccccc32)c1 ZINC000449379005 384081526 /nfs/dbraw/zinc/08/15/26/384081526.db2.gz SDTBHKAPDLRXQX-CQSZACIVSA-N 0 3 241.334 3.489 20 0 BGADHN CC1(F)CC(NCc2cc(Cl)cs2)C1 ZINC000449379060 384079834 /nfs/dbraw/zinc/07/98/34/384079834.db2.gz YWHFXLKHRSAACB-UHFFFAOYSA-N 0 3 233.739 3.382 20 0 BGADHN C(=C\c1ccncc1)\CNCC1=CCCCC1 ZINC000449379071 388187751 /nfs/dbraw/zinc/18/77/51/388187751.db2.gz YXWLCPGWVPKZLM-DAXSKMNVSA-N 0 3 228.339 3.185 20 0 BGADHN C(=C/c1ccncc1)\CNCC1=CCCCC1 ZINC000449379072 201894531 /nfs/dbraw/zinc/89/45/31/201894531.db2.gz YXWLCPGWVPKZLM-QPJJXVBHSA-N 0 3 228.339 3.185 20 0 BGADHN Cc1ccccc1CCN(C)Cc1cccn1C ZINC000449382850 384108806 /nfs/dbraw/zinc/10/88/06/384108806.db2.gz ZAUNRQWVDAMCRE-UHFFFAOYSA-N 0 3 242.366 3.008 20 0 BGADHN F[C@H]1CCN(Cc2cccc3ccccc32)C1 ZINC000449385484 388190962 /nfs/dbraw/zinc/19/09/62/388190962.db2.gz FQMVMGIHPLFXJM-AWEZNQCLSA-N 0 3 229.298 3.384 20 0 BGADHN F[C@@H]1CCN(Cc2cccc3ccccc32)C1 ZINC000449385488 388190720 /nfs/dbraw/zinc/19/07/20/388190720.db2.gz FQMVMGIHPLFXJM-CQSZACIVSA-N 0 3 229.298 3.384 20 0 BGADHN Cc1cc(C)c(CN2CC[C@@H](F)C2)c(C)c1 ZINC000449386162 384135185 /nfs/dbraw/zinc/13/51/85/384135185.db2.gz HIMUTZQRLBFLIX-CYBMUJFWSA-N 0 3 221.319 3.156 20 0 BGADHN Cc1cc(C)c(CN2CC[C@H](F)C2)c(C)c1 ZINC000449386163 384135334 /nfs/dbraw/zinc/13/53/34/384135334.db2.gz HIMUTZQRLBFLIX-ZDUSSCGKSA-N 0 3 221.319 3.156 20 0 BGADHN C[C@H](CCc1cccc(F)c1)N1CC[C@@H](F)C1 ZINC000449388726 384146946 /nfs/dbraw/zinc/14/69/46/384146946.db2.gz AYDWHUJTUADBFF-BXUZGUMPSA-N 0 3 239.309 3.191 20 0 BGADHN C[C@@H](CCc1cccc(F)c1)N1CC[C@H](F)C1 ZINC000449388727 384147202 /nfs/dbraw/zinc/14/72/02/384147202.db2.gz AYDWHUJTUADBFF-FZMZJTMJSA-N 0 3 239.309 3.191 20 0 BGADHN C[C@H](CCc1cccc(F)c1)N1CC[C@H](F)C1 ZINC000449388728 384147247 /nfs/dbraw/zinc/14/72/47/384147247.db2.gz AYDWHUJTUADBFF-RISCZKNCSA-N 0 3 239.309 3.191 20 0 BGADHN C[C@@H](CCc1cccc(F)c1)N1CC[C@@H](F)C1 ZINC000449388729 384147467 /nfs/dbraw/zinc/14/74/67/384147467.db2.gz AYDWHUJTUADBFF-SMDDNHRTSA-N 0 3 239.309 3.191 20 0 BGADHN COC[C@]1(C)CCN(C/C=C\c2ccccc2)C1 ZINC000449393231 388193297 /nfs/dbraw/zinc/19/32/97/388193297.db2.gz LTRSICJYDUCKFA-CXOKCQFOSA-N 0 3 245.366 3.058 20 0 BGADHN COC[C@@]1(C)CCN(C/C=C\c2ccccc2)C1 ZINC000449393232 388193590 /nfs/dbraw/zinc/19/35/90/388193590.db2.gz LTRSICJYDUCKFA-HWYHOQROSA-N 0 3 245.366 3.058 20 0 BGADHN Cc1ccoc1CNCC(C)(C)c1ccccn1 ZINC000449395164 388193035 /nfs/dbraw/zinc/19/30/35/388193035.db2.gz IGLVGGSDSZIWLC-UHFFFAOYSA-N 0 3 244.338 3.050 20 0 BGADHN CC[C@@H](CN1CC[C@@H](F)C1)c1ccccc1 ZINC000449398077 388194804 /nfs/dbraw/zinc/19/48/04/388194804.db2.gz WTMHFZYGGUXFHU-GXTWGEPZSA-N 0 3 221.319 3.224 20 0 BGADHN CC[C@@H](CN1CC[C@H](F)C1)c1ccccc1 ZINC000449398078 388193931 /nfs/dbraw/zinc/19/39/31/388193931.db2.gz WTMHFZYGGUXFHU-JSGCOSHPSA-N 0 3 221.319 3.224 20 0 BGADHN CC[C@H](CN1CC[C@H](F)C1)c1ccccc1 ZINC000449398079 388194890 /nfs/dbraw/zinc/19/48/90/388194890.db2.gz WTMHFZYGGUXFHU-OCCSQVGLSA-N 0 3 221.319 3.224 20 0 BGADHN CC[C@H](CN1CC[C@@H](F)C1)c1ccccc1 ZINC000449398080 388194008 /nfs/dbraw/zinc/19/40/08/388194008.db2.gz WTMHFZYGGUXFHU-TZMCWYRMSA-N 0 3 221.319 3.224 20 0 BGADHN C[C@@H](CCN1CC[C@@H](F)C1)c1ccccc1 ZINC000449398558 384176012 /nfs/dbraw/zinc/17/60/12/384176012.db2.gz YEMNOYTYROQUMQ-GXTWGEPZSA-N 0 3 221.319 3.224 20 0 BGADHN C[C@@H](CCN1CC[C@H](F)C1)c1ccccc1 ZINC000449398563 384175525 /nfs/dbraw/zinc/17/55/25/384175525.db2.gz YEMNOYTYROQUMQ-JSGCOSHPSA-N 0 3 221.319 3.224 20 0 BGADHN C[C@H](CCN1CC[C@H](F)C1)c1ccccc1 ZINC000449398565 384175969 /nfs/dbraw/zinc/17/59/69/384175969.db2.gz YEMNOYTYROQUMQ-OCCSQVGLSA-N 0 3 221.319 3.224 20 0 BGADHN C[C@H](CCN1CC[C@@H](F)C1)c1ccccc1 ZINC000449398567 384176816 /nfs/dbraw/zinc/17/68/16/384176816.db2.gz YEMNOYTYROQUMQ-TZMCWYRMSA-N 0 3 221.319 3.224 20 0 BGADHN CCCc1cccc(CNCC2=CCOCC2)c1 ZINC000449400857 388195437 /nfs/dbraw/zinc/19/54/37/388195437.db2.gz DLPWDDQBYXGUMA-UHFFFAOYSA-N 0 3 245.366 3.075 20 0 BGADHN CCC[C@@H](C)NCc1cccc(C(F)(F)F)n1 ZINC000449401014 384202725 /nfs/dbraw/zinc/20/27/25/384202725.db2.gz KWRLLKRWKCTXJM-SECBINFHSA-N 0 3 246.276 3.379 20 0 BGADHN CCC[C@H](C)NCc1cccc(C(F)(F)F)n1 ZINC000449401015 384202365 /nfs/dbraw/zinc/20/23/65/384202365.db2.gz KWRLLKRWKCTXJM-VIFPVBQESA-N 0 3 246.276 3.379 20 0 BGADHN CC(C)(C)CNCc1cccc(C(F)(F)F)n1 ZINC000449401812 388195464 /nfs/dbraw/zinc/19/54/64/388195464.db2.gz OGPCFSVDUKZNBR-UHFFFAOYSA-N 0 3 246.276 3.236 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1CNCc1n[nH]cc1C ZINC000449405521 388196317 /nfs/dbraw/zinc/19/63/17/388196317.db2.gz LWSRXIZSAMMTNV-CHWSQXEVSA-N 0 3 235.375 3.024 20 0 BGADHN CC[C@@H]1CCCC[C@H]1CNCc1n[nH]cc1C ZINC000449405522 388196476 /nfs/dbraw/zinc/19/64/76/388196476.db2.gz LWSRXIZSAMMTNV-OLZOCXBDSA-N 0 3 235.375 3.024 20 0 BGADHN CC[C@H]1CCCC[C@@H]1CNCc1n[nH]cc1C ZINC000449405523 388196516 /nfs/dbraw/zinc/19/65/16/388196516.db2.gz LWSRXIZSAMMTNV-QWHCGFSZSA-N 0 3 235.375 3.024 20 0 BGADHN CC[C@H]1CCCC[C@H]1CNCc1n[nH]cc1C ZINC000449405524 384279648 /nfs/dbraw/zinc/27/96/48/384279648.db2.gz LWSRXIZSAMMTNV-STQMWFEESA-N 0 3 235.375 3.024 20 0 BGADHN CC[C@H]1CCCC[C@H]1CNCc1ncc(C)n1C ZINC000449406546 388196767 /nfs/dbraw/zinc/19/67/67/388196767.db2.gz YQEOOALRNWFTHQ-KBPBESRZSA-N 0 3 249.402 3.035 20 0 BGADHN CC[C@@H]1CCCC[C@H]1CNCc1ncc(C)n1C ZINC000449406647 384288680 /nfs/dbraw/zinc/28/86/80/384288680.db2.gz YQEOOALRNWFTHQ-KGLIPLIRSA-N 0 3 249.402 3.035 20 0 BGADHN CC[C@H]1CCCC[C@@H]1CNCc1ncc(C)n1C ZINC000449406648 384289810 /nfs/dbraw/zinc/28/98/10/384289810.db2.gz YQEOOALRNWFTHQ-UONOGXRCSA-N 0 3 249.402 3.035 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1CNCc1ncc(C)n1C ZINC000449406649 384288772 /nfs/dbraw/zinc/28/87/72/384288772.db2.gz YQEOOALRNWFTHQ-ZIAGYGMSSA-N 0 3 249.402 3.035 20 0 BGADHN CCC1(NCc2ccc(OC)cc2Cl)CC1 ZINC000449411216 388197895 /nfs/dbraw/zinc/19/78/95/388197895.db2.gz ANVUNIDCZVVTLN-UHFFFAOYSA-N 0 3 239.746 3.381 20 0 BGADHN CCC1(NCc2c(C)nn(C(C)(C)C)c2C)CC1 ZINC000449413708 388198262 /nfs/dbraw/zinc/19/82/62/388198262.db2.gz JYRKYPCMJAHWMK-UHFFFAOYSA-N 0 3 249.402 3.287 20 0 BGADHN CCC1(NCc2ccc(C)cc2OC)CC1 ZINC000449414837 388199246 /nfs/dbraw/zinc/19/92/46/388199246.db2.gz NFTFGXVNWITUBB-UHFFFAOYSA-N 0 3 219.328 3.036 20 0 BGADHN CCCc1csc(CNC2(CC)CC2)n1 ZINC000449414843 384300553 /nfs/dbraw/zinc/30/05/53/384300553.db2.gz NIECFDFTZPTQOD-UHFFFAOYSA-N 0 3 224.373 3.128 20 0 BGADHN C/C(=C/c1ccccc1)CN(C)CC(C)(C)CO ZINC000449414965 384300908 /nfs/dbraw/zinc/30/09/08/384300908.db2.gz MLVFXEHLNAQSRL-UVTDQMKNSA-N 0 3 247.382 3.040 20 0 BGADHN CCC1(NCc2ccnn2C2CCCC2)CC1 ZINC000449415888 388199262 /nfs/dbraw/zinc/19/92/62/388199262.db2.gz RBRLVZUAKBDCIH-UHFFFAOYSA-N 0 3 233.359 3.030 20 0 BGADHN CCC1(NCc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000449416284 388199187 /nfs/dbraw/zinc/19/91/87/388199187.db2.gz SQPHQIUHRAVXFL-UHFFFAOYSA-N 0 3 241.338 3.109 20 0 BGADHN CCC1(NCc2cnc(CC(C)C)s2)CC1 ZINC000449416840 388198978 /nfs/dbraw/zinc/19/89/78/388198978.db2.gz VONFVGMQIGOPQF-UHFFFAOYSA-N 0 3 238.400 3.374 20 0 BGADHN CCC1(NCc2scnc2C2CC2)CC1 ZINC000449417494 201911707 /nfs/dbraw/zinc/91/17/07/201911707.db2.gz YJEDMSCFADXAHZ-UHFFFAOYSA-N 0 3 222.357 3.053 20 0 BGADHN CCC1(NCc2cnc(C3CCC3)s2)CC1 ZINC000449417735 201911916 /nfs/dbraw/zinc/91/19/16/201911916.db2.gz ZCPQZTVNABVFPN-UHFFFAOYSA-N 0 3 236.384 3.443 20 0 BGADHN CCC1(NCc2cnc(C(C)C)s2)CC1 ZINC000449417772 388200159 /nfs/dbraw/zinc/20/01/59/388200159.db2.gz ZMOWZNLAQOTRBL-UHFFFAOYSA-N 0 3 224.373 3.299 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CN2CC[C@@H]2C2CC2)o1 ZINC000449421721 388201280 /nfs/dbraw/zinc/20/12/80/388201280.db2.gz BFDNOJFMYHXBCX-DDTOSNHZSA-N 0 3 231.339 3.387 20 0 BGADHN C[C@@H]1C[C@H]1c1ccc(CN2CC[C@H]2C2CC2)o1 ZINC000449421724 388201226 /nfs/dbraw/zinc/20/12/26/388201226.db2.gz BFDNOJFMYHXBCX-HONMWMINSA-N 0 3 231.339 3.387 20 0 BGADHN C[C@@H]1C[C@H]1c1ccc(CN2CC[C@@H]2C2CC2)o1 ZINC000449421726 388200769 /nfs/dbraw/zinc/20/07/69/388200769.db2.gz BFDNOJFMYHXBCX-LERXQTSPSA-N 0 3 231.339 3.387 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CN2CC[C@H]2C2CC2)o1 ZINC000449421728 388200988 /nfs/dbraw/zinc/20/09/88/388200988.db2.gz BFDNOJFMYHXBCX-SWHYSGLUSA-N 0 3 231.339 3.387 20 0 BGADHN CC1CC(N[C@@H]2C[C@@H](C)Oc3ccccc32)C1 ZINC000449421818 388200748 /nfs/dbraw/zinc/20/07/48/388200748.db2.gz BTEBVOZEDPEJAI-YFTKGUKSSA-N 0 3 231.339 3.287 20 0 BGADHN CCOc1ccc(CN2CC[C@H]2C2CC2)cc1 ZINC000449422505 388200977 /nfs/dbraw/zinc/20/09/77/388200977.db2.gz DRBHBDKAWRNGAY-HNNXBMFYSA-N 0 3 231.339 3.070 20 0 BGADHN CCOc1ccc(CN2CC[C@@H]2C2CC2)cc1 ZINC000449422506 388200854 /nfs/dbraw/zinc/20/08/54/388200854.db2.gz DRBHBDKAWRNGAY-OAHLLOKOSA-N 0 3 231.339 3.070 20 0 BGADHN CCOc1cccc(CN2CC[C@H]2C2CC2)c1 ZINC000449422517 388201147 /nfs/dbraw/zinc/20/11/47/388201147.db2.gz DXFQBRZMCWUGJT-HNNXBMFYSA-N 0 3 231.339 3.070 20 0 BGADHN CCOc1cccc(CN2CC[C@@H]2C2CC2)c1 ZINC000449422518 388200438 /nfs/dbraw/zinc/20/04/38/388200438.db2.gz DXFQBRZMCWUGJT-OAHLLOKOSA-N 0 3 231.339 3.070 20 0 BGADHN CCC1(NCc2ccncc2F)CCCC1 ZINC000449422806 388200704 /nfs/dbraw/zinc/20/07/04/388200704.db2.gz FRMVCBCXMZXBDO-UHFFFAOYSA-N 0 3 222.307 3.033 20 0 BGADHN CCCOc1cccc(CN2CC[C@H]2C2CC2)c1 ZINC000449423123 388201642 /nfs/dbraw/zinc/20/16/42/388201642.db2.gz GMDCANMTSZDBMH-INIZCTEOSA-N 0 3 245.366 3.460 20 0 BGADHN CCCOc1cccc(CN2CC[C@@H]2C2CC2)c1 ZINC000449423125 388202367 /nfs/dbraw/zinc/20/23/67/388202367.db2.gz GMDCANMTSZDBMH-MRXNPFEDSA-N 0 3 245.366 3.460 20 0 BGADHN Fc1ccc(/C=C/CN2CC[C@@H]2C2CC2)cc1 ZINC000449423312 388201911 /nfs/dbraw/zinc/20/19/11/388201911.db2.gz ATCJZKVDZWCBGG-BGTMTDRBSA-N 0 3 231.314 3.323 20 0 BGADHN Fc1ccc(/C=C\CN2CC[C@@H]2C2CC2)cc1 ZINC000449423313 388201936 /nfs/dbraw/zinc/20/19/36/388201936.db2.gz ATCJZKVDZWCBGG-DJYNDVHFSA-N 0 3 231.314 3.323 20 0 BGADHN Fc1ccc(/C=C\CN2CC[C@H]2C2CC2)cc1 ZINC000449423314 388201570 /nfs/dbraw/zinc/20/15/70/388201570.db2.gz ATCJZKVDZWCBGG-OYADATRGSA-N 0 3 231.314 3.323 20 0 BGADHN Fc1ccc(/C=C/CN2CC[C@H]2C2CC2)cc1 ZINC000449423315 388201637 /nfs/dbraw/zinc/20/16/37/388201637.db2.gz ATCJZKVDZWCBGG-YLSAJCSVSA-N 0 3 231.314 3.323 20 0 BGADHN Cc1cc(F)ccc1CN1CC[C@H]1C1CC1 ZINC000449423570 384317279 /nfs/dbraw/zinc/31/72/79/384317279.db2.gz HNYXOYRYPHDGPO-AWEZNQCLSA-N 0 3 219.303 3.118 20 0 BGADHN Cc1cc(F)ccc1CN1CC[C@@H]1C1CC1 ZINC000449423571 384317937 /nfs/dbraw/zinc/31/79/37/384317937.db2.gz HNYXOYRYPHDGPO-CQSZACIVSA-N 0 3 219.303 3.118 20 0 BGADHN CSc1ccc(CN2CC[C@H]2C2CC2)cc1 ZINC000449424029 388201507 /nfs/dbraw/zinc/20/15/07/388201507.db2.gz JIBHCTHPRMJGJH-AWEZNQCLSA-N 0 3 233.380 3.393 20 0 BGADHN CSc1ccc(CN2CC[C@@H]2C2CC2)cc1 ZINC000449424030 491079285 /nfs/dbraw/zinc/07/92/85/491079285.db2.gz JIBHCTHPRMJGJH-CQSZACIVSA-N 0 3 233.380 3.393 20 0 BGADHN Cc1cccc(CN2CC[C@@H]2C2CC2)c1F ZINC000449424093 388201558 /nfs/dbraw/zinc/20/15/58/388201558.db2.gz CKJCNGDCRDROKK-CYBMUJFWSA-N 0 3 219.303 3.118 20 0 BGADHN Cc1cccc(CN2CC[C@H]2C2CC2)c1F ZINC000449424094 388201533 /nfs/dbraw/zinc/20/15/33/388201533.db2.gz CKJCNGDCRDROKK-ZDUSSCGKSA-N 0 3 219.303 3.118 20 0 BGADHN CSc1ccc(CN2CC[C@@H]2C2CC2)s1 ZINC000449424221 324139760 /nfs/dbraw/zinc/13/97/60/324139760.db2.gz DCOLSAGORGKYMO-LLVKDONJSA-N 0 3 239.409 3.454 20 0 BGADHN CSc1ccc(CN2CC[C@H]2C2CC2)s1 ZINC000449424222 324139912 /nfs/dbraw/zinc/13/99/12/324139912.db2.gz DCOLSAGORGKYMO-NSHDSACASA-N 0 3 239.409 3.454 20 0 BGADHN COc1c(C)cc(CN2CC[C@H]2C2CC2)cc1C ZINC000449424596 324140244 /nfs/dbraw/zinc/14/02/44/324140244.db2.gz KGLJCCUSYJUOBK-HNNXBMFYSA-N 0 3 245.366 3.296 20 0 BGADHN COc1c(C)cc(CN2CC[C@@H]2C2CC2)cc1C ZINC000449424597 324139943 /nfs/dbraw/zinc/13/99/43/324139943.db2.gz KGLJCCUSYJUOBK-OAHLLOKOSA-N 0 3 245.366 3.296 20 0 BGADHN Cc1ccc(F)cc1CN1CC[C@H]1C1CC1 ZINC000449424846 324140729 /nfs/dbraw/zinc/14/07/29/324140729.db2.gz GLCVPBFOAAYAND-AWEZNQCLSA-N 0 3 219.303 3.118 20 0 BGADHN Cc1ccc(F)cc1CN1CC[C@@H]1C1CC1 ZINC000449424848 324140755 /nfs/dbraw/zinc/14/07/55/324140755.db2.gz GLCVPBFOAAYAND-CQSZACIVSA-N 0 3 219.303 3.118 20 0 BGADHN Clc1cccc(CN2CC[C@@H]2C2CC2)c1 ZINC000449424958 388202224 /nfs/dbraw/zinc/20/22/24/388202224.db2.gz LESOHGYIIXNTPM-CYBMUJFWSA-N 0 3 221.731 3.324 20 0 BGADHN Clc1cccc(CN2CC[C@H]2C2CC2)c1 ZINC000449424959 388202078 /nfs/dbraw/zinc/20/20/78/388202078.db2.gz LESOHGYIIXNTPM-ZDUSSCGKSA-N 0 3 221.731 3.324 20 0 BGADHN CCC1(NCc2nc3ccccc3[nH]2)CCCC1 ZINC000449425037 388202255 /nfs/dbraw/zinc/20/22/55/388202255.db2.gz MBERTXBATSPJRB-UHFFFAOYSA-N 0 3 243.354 3.375 20 0 BGADHN c1oc2ccccc2c1CN1CC[C@H]1C1CC1 ZINC000449425098 388201468 /nfs/dbraw/zinc/20/14/68/388201468.db2.gz GVRIQNWQNFOFQB-AWEZNQCLSA-N 0 3 227.307 3.417 20 0 BGADHN c1oc2ccccc2c1CN1CC[C@@H]1C1CC1 ZINC000449425099 384323880 /nfs/dbraw/zinc/32/38/80/384323880.db2.gz GVRIQNWQNFOFQB-CQSZACIVSA-N 0 3 227.307 3.417 20 0 BGADHN Cc1cc(CN2CC[C@@H]2C2CC2)cs1 ZINC000449425607 206097098 /nfs/dbraw/zinc/09/70/98/206097098.db2.gz IDJWSLXZFPLFKY-GFCCVEGCSA-N 0 3 207.342 3.041 20 0 BGADHN Cc1cc(CN2CC[C@H]2C2CC2)cs1 ZINC000449425608 206097860 /nfs/dbraw/zinc/09/78/60/206097860.db2.gz IDJWSLXZFPLFKY-LBPRGKRZSA-N 0 3 207.342 3.041 20 0 BGADHN c1nc(C2CC2)c(CN2CC[C@@H]2C2CC2)s1 ZINC000449425851 206098839 /nfs/dbraw/zinc/09/88/39/206098839.db2.gz IWVHZJXSAVSKGH-LLVKDONJSA-N 0 3 234.368 3.005 20 0 BGADHN c1nc(C2CC2)c(CN2CC[C@H]2C2CC2)s1 ZINC000449425852 206098798 /nfs/dbraw/zinc/09/87/98/206098798.db2.gz IWVHZJXSAVSKGH-NSHDSACASA-N 0 3 234.368 3.005 20 0 BGADHN Fc1ccc2cc(CN3CC[C@H]3C3CC3)[nH]c2c1 ZINC000449426338 206097170 /nfs/dbraw/zinc/09/71/70/206097170.db2.gz LBHZHVBIJOSWLQ-HNNXBMFYSA-N 0 3 244.313 3.291 20 0 BGADHN Fc1ccc2cc(CN3CC[C@@H]3C3CC3)[nH]c2c1 ZINC000449426339 206098814 /nfs/dbraw/zinc/09/88/14/206098814.db2.gz LBHZHVBIJOSWLQ-OAHLLOKOSA-N 0 3 244.313 3.291 20 0 BGADHN CC(C)Oc1ccc(CN2CC[C@H]2C2CC2)cc1 ZINC000449426367 206097979 /nfs/dbraw/zinc/09/79/79/206097979.db2.gz OYNQECOZBMWTCB-INIZCTEOSA-N 0 3 245.366 3.458 20 0 BGADHN CC(C)Oc1ccc(CN2CC[C@@H]2C2CC2)cc1 ZINC000449426368 206097254 /nfs/dbraw/zinc/09/72/54/206097254.db2.gz OYNQECOZBMWTCB-MRXNPFEDSA-N 0 3 245.366 3.458 20 0 BGADHN c1c2ccccc2oc1CN1CC[C@H]1C1CC1 ZINC000449426413 206097187 /nfs/dbraw/zinc/09/71/87/206097187.db2.gz PNBHLEXBTIKNAD-AWEZNQCLSA-N 0 3 227.307 3.417 20 0 BGADHN c1c2ccccc2oc1CN1CC[C@@H]1C1CC1 ZINC000449426414 206097554 /nfs/dbraw/zinc/09/75/54/206097554.db2.gz PNBHLEXBTIKNAD-CQSZACIVSA-N 0 3 227.307 3.417 20 0 BGADHN Cc1ccc(F)c(CN2CC[C@H]2C2CC2)c1 ZINC000449426644 206098273 /nfs/dbraw/zinc/09/82/73/206098273.db2.gz LCHNPFIJVFCTJC-AWEZNQCLSA-N 0 3 219.303 3.118 20 0 BGADHN Cc1ccc(F)c(CN2CC[C@@H]2C2CC2)c1 ZINC000449426645 206098297 /nfs/dbraw/zinc/09/82/97/206098297.db2.gz LCHNPFIJVFCTJC-CQSZACIVSA-N 0 3 219.303 3.118 20 0 BGADHN CCOc1ccccc1CN1CC[C@H]1C1CC1 ZINC000449426817 206097633 /nfs/dbraw/zinc/09/76/33/206097633.db2.gz QHWOEDQKZIDEGR-AWEZNQCLSA-N 0 3 231.339 3.070 20 0 BGADHN CCOc1ccccc1CN1CC[C@@H]1C1CC1 ZINC000449426818 206098858 /nfs/dbraw/zinc/09/88/58/206098858.db2.gz QHWOEDQKZIDEGR-CQSZACIVSA-N 0 3 231.339 3.070 20 0 BGADHN CCc1cc(OC)ccc1CN1CC[C@H]1C1CC1 ZINC000449426981 206097991 /nfs/dbraw/zinc/09/79/91/206097991.db2.gz MFUAGYZWRRMAIF-INIZCTEOSA-N 0 3 245.366 3.242 20 0 BGADHN CCc1cc(OC)ccc1CN1CC[C@@H]1C1CC1 ZINC000449426983 206098551 /nfs/dbraw/zinc/09/85/51/206098551.db2.gz MFUAGYZWRRMAIF-MRXNPFEDSA-N 0 3 245.366 3.242 20 0 BGADHN Fc1ccc(/C=C/CN2CC[C@@H]2C2CC2)cc1F ZINC000449426987 206097772 /nfs/dbraw/zinc/09/77/72/206097772.db2.gz MGQXHUYUSKXDJZ-BGTMTDRBSA-N 0 3 249.304 3.462 20 0 BGADHN Fc1ccc(/C=C\CN2CC[C@@H]2C2CC2)cc1F ZINC000449426988 206098497 /nfs/dbraw/zinc/09/84/97/206098497.db2.gz MGQXHUYUSKXDJZ-DJYNDVHFSA-N 0 3 249.304 3.462 20 0 BGADHN Fc1ccc(/C=C\CN2CC[C@H]2C2CC2)cc1F ZINC000449426989 206097443 /nfs/dbraw/zinc/09/74/43/206097443.db2.gz MGQXHUYUSKXDJZ-OYADATRGSA-N 0 3 249.304 3.462 20 0 BGADHN Fc1ccc(/C=C/CN2CC[C@H]2C2CC2)cc1F ZINC000449426990 206098012 /nfs/dbraw/zinc/09/80/12/206098012.db2.gz MGQXHUYUSKXDJZ-YLSAJCSVSA-N 0 3 249.304 3.462 20 0 BGADHN CCC1(NCc2ccn(C(F)F)n2)CCCC1 ZINC000449427283 388203200 /nfs/dbraw/zinc/20/32/00/388203200.db2.gz RGZIZYJQAAFLNJ-UHFFFAOYSA-N 0 3 243.301 3.091 20 0 BGADHN CC(C)Oc1cccc(CN2CC[C@H]2C2CC2)c1 ZINC000449427292 388202875 /nfs/dbraw/zinc/20/28/75/388202875.db2.gz RKOOOOWCGROGGD-INIZCTEOSA-N 0 3 245.366 3.458 20 0 BGADHN CC(C)Oc1cccc(CN2CC[C@@H]2C2CC2)c1 ZINC000449427293 388202585 /nfs/dbraw/zinc/20/25/85/388202585.db2.gz RKOOOOWCGROGGD-MRXNPFEDSA-N 0 3 245.366 3.458 20 0 BGADHN C(=C\c1ccccc1)\CN1CC[C@@H]1C1CC1 ZINC000449427708 388203136 /nfs/dbraw/zinc/20/31/36/388203136.db2.gz SXKLYQUHJICKLW-IJVDHGTGSA-N 0 3 213.324 3.184 20 0 BGADHN C(=C/c1ccccc1)\CN1CC[C@@H]1C1CC1 ZINC000449427709 388202682 /nfs/dbraw/zinc/20/26/82/388202682.db2.gz SXKLYQUHJICKLW-NFBGWVBBSA-N 0 3 213.324 3.184 20 0 BGADHN C(=C\c1ccccc1)\CN1CC[C@H]1C1CC1 ZINC000449427710 388202964 /nfs/dbraw/zinc/20/29/64/388202964.db2.gz SXKLYQUHJICKLW-QZDDGCDVSA-N 0 3 213.324 3.184 20 0 BGADHN C(=C/c1ccccc1)\CN1CC[C@H]1C1CC1 ZINC000449427711 388202732 /nfs/dbraw/zinc/20/27/32/388202732.db2.gz SXKLYQUHJICKLW-SZTZYQKNSA-N 0 3 213.324 3.184 20 0 BGADHN Clc1ccccc1CN1CC[C@@H]1C1CC1 ZINC000449427712 388203228 /nfs/dbraw/zinc/20/32/28/388203228.db2.gz SYKSLKMJXLFBSI-CYBMUJFWSA-N 0 3 221.731 3.324 20 0 BGADHN Clc1ccccc1CN1CC[C@H]1C1CC1 ZINC000449427713 388202521 /nfs/dbraw/zinc/20/25/21/388202521.db2.gz SYKSLKMJXLFBSI-ZDUSSCGKSA-N 0 3 221.731 3.324 20 0 BGADHN Cc1sccc1CN1CC[C@@H]1C1CC1 ZINC000449427731 384377883 /nfs/dbraw/zinc/37/78/83/384377883.db2.gz OMEZSBPNVXRQIF-GFCCVEGCSA-N 0 3 207.342 3.041 20 0 BGADHN Cc1sccc1CN1CC[C@H]1C1CC1 ZINC000449427733 384377920 /nfs/dbraw/zinc/37/79/20/384377920.db2.gz OMEZSBPNVXRQIF-LBPRGKRZSA-N 0 3 207.342 3.041 20 0 BGADHN COc1ccccc1/C=C/CN1CC[C@@H]1C1CC1 ZINC000449427744 388203273 /nfs/dbraw/zinc/20/32/73/388203273.db2.gz TWZOWXUQQVVJKG-CSPWOOARSA-N 0 3 243.350 3.193 20 0 BGADHN COc1ccccc1/C=C/CN1CC[C@H]1C1CC1 ZINC000449427745 388202705 /nfs/dbraw/zinc/20/27/05/388202705.db2.gz TWZOWXUQQVVJKG-DRDHIDPGSA-N 0 3 243.350 3.193 20 0 BGADHN COc1ccccc1/C=C\CN1CC[C@H]1C1CC1 ZINC000449427747 388203266 /nfs/dbraw/zinc/20/32/66/388203266.db2.gz TWZOWXUQQVVJKG-VOKGJARPSA-N 0 3 243.350 3.193 20 0 BGADHN COc1ccccc1/C=C\CN1CC[C@@H]1C1CC1 ZINC000449427749 388203234 /nfs/dbraw/zinc/20/32/34/388203234.db2.gz TWZOWXUQQVVJKG-ZDTYVGOBSA-N 0 3 243.350 3.193 20 0 BGADHN c1cc2cc(CN3CC[C@H]3C3CC3)ccc2o1 ZINC000449427786 388203157 /nfs/dbraw/zinc/20/31/57/388203157.db2.gz PEEGDOLWHNPAJR-AWEZNQCLSA-N 0 3 227.307 3.417 20 0 BGADHN c1cc2cc(CN3CC[C@@H]3C3CC3)ccc2o1 ZINC000449427787 388202913 /nfs/dbraw/zinc/20/29/13/388202913.db2.gz PEEGDOLWHNPAJR-CQSZACIVSA-N 0 3 227.307 3.417 20 0 BGADHN CC(C)Oc1ccccc1CN1CC[C@H]1C1CC1 ZINC000449428141 388202501 /nfs/dbraw/zinc/20/25/01/388202501.db2.gz UIQOCNKNWLOKTM-HNNXBMFYSA-N 0 3 245.366 3.458 20 0 BGADHN CC(C)Oc1ccccc1CN1CC[C@@H]1C1CC1 ZINC000449428144 388202809 /nfs/dbraw/zinc/20/28/09/388202809.db2.gz UIQOCNKNWLOKTM-OAHLLOKOSA-N 0 3 245.366 3.458 20 0 BGADHN Cc1ccc(CN2CC[C@H]2C2CC2)cc1F ZINC000449428518 388202663 /nfs/dbraw/zinc/20/26/63/388202663.db2.gz RSSUDUSTRMEUEE-AWEZNQCLSA-N 0 3 219.303 3.118 20 0 BGADHN Cc1ccc(CN2CC[C@@H]2C2CC2)cc1F ZINC000449428520 388202445 /nfs/dbraw/zinc/20/24/45/388202445.db2.gz RSSUDUSTRMEUEE-CQSZACIVSA-N 0 3 219.303 3.118 20 0 BGADHN CC[C@@H]1CCC[C@@H]1CNCc1c(C)noc1C ZINC000449429739 388203731 /nfs/dbraw/zinc/20/37/31/388203731.db2.gz BERHIQDAQSZWPL-CHWSQXEVSA-N 0 3 236.359 3.207 20 0 BGADHN CC[C@@H]1CCC[C@H]1CNCc1c(C)noc1C ZINC000449429744 388204061 /nfs/dbraw/zinc/20/40/61/388204061.db2.gz BERHIQDAQSZWPL-OLZOCXBDSA-N 0 3 236.359 3.207 20 0 BGADHN CC[C@H]1CCC[C@@H]1CNCc1c(C)noc1C ZINC000449429745 388203875 /nfs/dbraw/zinc/20/38/75/388203875.db2.gz BERHIQDAQSZWPL-QWHCGFSZSA-N 0 3 236.359 3.207 20 0 BGADHN CC[C@H]1CCC[C@H]1CNCc1c(C)noc1C ZINC000449429746 388204263 /nfs/dbraw/zinc/20/42/63/388204263.db2.gz BERHIQDAQSZWPL-STQMWFEESA-N 0 3 236.359 3.207 20 0 BGADHN CC(C)C[C@@]1(C)CCCN1Cc1cocn1 ZINC000449429792 388203400 /nfs/dbraw/zinc/20/34/00/388203400.db2.gz BIHCKECUWXUMCY-CYBMUJFWSA-N 0 3 222.332 3.075 20 0 BGADHN CC(C)C[C@]1(C)CCCN1Cc1cocn1 ZINC000449429794 388203743 /nfs/dbraw/zinc/20/37/43/388203743.db2.gz BIHCKECUWXUMCY-ZDUSSCGKSA-N 0 3 222.332 3.075 20 0 BGADHN Clc1ccc(CN2CC[C@@H]2C2CC2)cc1 ZINC000449429998 388203795 /nfs/dbraw/zinc/20/37/95/388203795.db2.gz YGFSBPXMDVJVTN-CYBMUJFWSA-N 0 3 221.731 3.324 20 0 BGADHN Clc1ccc(CN2CC[C@H]2C2CC2)cc1 ZINC000449429999 388203921 /nfs/dbraw/zinc/20/39/21/388203921.db2.gz YGFSBPXMDVJVTN-ZDUSSCGKSA-N 0 3 221.731 3.324 20 0 BGADHN Cc1cc(CN2CC[C@H]2C2CC2)ccc1F ZINC000449430805 388204110 /nfs/dbraw/zinc/20/41/10/388204110.db2.gz YQIYQWAPQSFUFF-AWEZNQCLSA-N 0 3 219.303 3.118 20 0 BGADHN Cc1cc(CN2CC[C@@H]2C2CC2)ccc1F ZINC000449430806 388204013 /nfs/dbraw/zinc/20/40/13/388204013.db2.gz YQIYQWAPQSFUFF-CQSZACIVSA-N 0 3 219.303 3.118 20 0 BGADHN CC[C@@H]1CCC[C@@H]1C[NH2+]Cc1nc(C)ccc1[O-] ZINC000449431950 388205152 /nfs/dbraw/zinc/20/51/52/388205152.db2.gz FEJNDRAXMAMGAF-CHWSQXEVSA-N 0 3 248.370 3.012 20 0 BGADHN CC[C@@H]1CCC[C@H]1C[NH2+]Cc1nc(C)ccc1[O-] ZINC000449431951 388204822 /nfs/dbraw/zinc/20/48/22/388204822.db2.gz FEJNDRAXMAMGAF-OLZOCXBDSA-N 0 3 248.370 3.012 20 0 BGADHN CC[C@H]1CCC[C@@H]1C[NH2+]Cc1nc(C)ccc1[O-] ZINC000449431952 388204549 /nfs/dbraw/zinc/20/45/49/388204549.db2.gz FEJNDRAXMAMGAF-QWHCGFSZSA-N 0 3 248.370 3.012 20 0 BGADHN CC[C@H]1CCC[C@H]1C[NH2+]Cc1nc(C)ccc1[O-] ZINC000449431953 201921114 /nfs/dbraw/zinc/92/11/14/201921114.db2.gz FEJNDRAXMAMGAF-STQMWFEESA-N 0 3 248.370 3.012 20 0 BGADHN CC[C@@H]1CCC[C@H]1CNCc1ccco1 ZINC000449432075 388204689 /nfs/dbraw/zinc/20/46/89/388204689.db2.gz FOFXMOQUJAIQOX-NEPJUHHUSA-N 0 3 207.317 3.196 20 0 BGADHN CC[C@H]1CCC[C@@H]1CNCc1ccco1 ZINC000449432076 388205137 /nfs/dbraw/zinc/20/51/37/388205137.db2.gz FOFXMOQUJAIQOX-NWDGAFQWSA-N 0 3 207.317 3.196 20 0 BGADHN CC[C@H]1CCC[C@H]1CNCc1ccco1 ZINC000449432077 388204719 /nfs/dbraw/zinc/20/47/19/388204719.db2.gz FOFXMOQUJAIQOX-RYUDHWBXSA-N 0 3 207.317 3.196 20 0 BGADHN CC[C@@H]1CCC[C@@H]1CNCc1ccco1 ZINC000449432078 388204866 /nfs/dbraw/zinc/20/48/66/388204866.db2.gz FOFXMOQUJAIQOX-VXGBXAGGSA-N 0 3 207.317 3.196 20 0 BGADHN CCc1nocc1CNC[C@@H]1CCC[C@H]1CC ZINC000449432945 388205099 /nfs/dbraw/zinc/20/50/99/388205099.db2.gz JYWCXTSFXNULTI-NEPJUHHUSA-N 0 3 236.359 3.153 20 0 BGADHN CCc1nocc1CNC[C@H]1CCC[C@@H]1CC ZINC000449432946 201920655 /nfs/dbraw/zinc/92/06/55/201920655.db2.gz JYWCXTSFXNULTI-NWDGAFQWSA-N 0 3 236.359 3.153 20 0 BGADHN CCc1nocc1CNC[C@@H]1CCC[C@@H]1CC ZINC000449432947 388204509 /nfs/dbraw/zinc/20/45/09/388204509.db2.gz JYWCXTSFXNULTI-RYUDHWBXSA-N 0 3 236.359 3.153 20 0 BGADHN CCc1nocc1CNC[C@H]1CCC[C@H]1CC ZINC000449432948 388204931 /nfs/dbraw/zinc/20/49/31/388204931.db2.gz JYWCXTSFXNULTI-VXGBXAGGSA-N 0 3 236.359 3.153 20 0 BGADHN CCn1ccnc1CN[C@H](C)[C@@H]1CCCC[C@@H]1C ZINC000449433031 388205053 /nfs/dbraw/zinc/20/50/53/388205053.db2.gz KLOFYTDSYXWLIY-BFHYXJOUSA-N 0 3 249.402 3.207 20 0 BGADHN CCn1ccnc1CN[C@H](C)[C@H]1CCCC[C@H]1C ZINC000449433032 388204789 /nfs/dbraw/zinc/20/47/89/388204789.db2.gz KLOFYTDSYXWLIY-MCIONIFRSA-N 0 3 249.402 3.207 20 0 BGADHN CCn1ccnc1CN[C@H](C)[C@@H]1CCCC[C@H]1C ZINC000449433033 388204918 /nfs/dbraw/zinc/20/49/18/388204918.db2.gz KLOFYTDSYXWLIY-MGPQQGTHSA-N 0 3 249.402 3.207 20 0 BGADHN CCn1ccnc1CN[C@H](C)[C@H]1CCCC[C@@H]1C ZINC000449433034 384450748 /nfs/dbraw/zinc/45/07/48/384450748.db2.gz KLOFYTDSYXWLIY-MJBXVCDLSA-N 0 3 249.402 3.207 20 0 BGADHN CC[C@@H]1CCC[C@H]1CNCc1csc(C)n1 ZINC000449433052 201920613 /nfs/dbraw/zinc/92/06/13/201920613.db2.gz KNEAUEDQIZBZRG-NEPJUHHUSA-N 0 3 238.400 3.367 20 0 BGADHN CC[C@H]1CCC[C@@H]1CNCc1csc(C)n1 ZINC000449433053 388204913 /nfs/dbraw/zinc/20/49/13/388204913.db2.gz KNEAUEDQIZBZRG-NWDGAFQWSA-N 0 3 238.400 3.367 20 0 BGADHN CC[C@H]1CCC[C@H]1CNCc1csc(C)n1 ZINC000449433054 388204985 /nfs/dbraw/zinc/20/49/85/388204985.db2.gz KNEAUEDQIZBZRG-RYUDHWBXSA-N 0 3 238.400 3.367 20 0 BGADHN CC[C@@H]1CCC[C@@H]1CNCc1csc(C)n1 ZINC000449433055 388204715 /nfs/dbraw/zinc/20/47/15/388204715.db2.gz KNEAUEDQIZBZRG-VXGBXAGGSA-N 0 3 238.400 3.367 20 0 BGADHN CC[C@@H]1CCC[C@H]1CNCc1ccncc1F ZINC000449433094 398298333 /nfs/dbraw/zinc/29/83/33/398298333.db2.gz KQYWDZLFLKFAIC-NEPJUHHUSA-N 0 3 236.334 3.137 20 0 BGADHN CC[C@H]1CCC[C@@H]1CNCc1ccncc1F ZINC000449433095 398298448 /nfs/dbraw/zinc/29/84/48/398298448.db2.gz KQYWDZLFLKFAIC-NWDGAFQWSA-N 0 3 236.334 3.137 20 0 BGADHN CC[C@H]1CCC[C@H]1CNCc1ccncc1F ZINC000449433096 398298268 /nfs/dbraw/zinc/29/82/68/398298268.db2.gz KQYWDZLFLKFAIC-RYUDHWBXSA-N 0 3 236.334 3.137 20 0 BGADHN CC[C@@H]1CCC[C@@H]1CNCc1ccncc1F ZINC000449433097 398298516 /nfs/dbraw/zinc/29/85/16/398298516.db2.gz KQYWDZLFLKFAIC-VXGBXAGGSA-N 0 3 236.334 3.137 20 0 BGADHN CC[C@@H]1CCC[C@@H]1CNCc1cccc(OC)n1 ZINC000449433835 201923102 /nfs/dbraw/zinc/92/31/02/201923102.db2.gz NZPOSFDOXATHCL-CHWSQXEVSA-N 0 3 248.370 3.006 20 0 BGADHN CC[C@@H]1CCC[C@H]1CNCc1cccc(OC)n1 ZINC000449433836 388205690 /nfs/dbraw/zinc/20/56/90/388205690.db2.gz NZPOSFDOXATHCL-OLZOCXBDSA-N 0 3 248.370 3.006 20 0 BGADHN CC[C@H]1CCC[C@@H]1CNCc1cccc(OC)n1 ZINC000449433837 388205634 /nfs/dbraw/zinc/20/56/34/388205634.db2.gz NZPOSFDOXATHCL-QWHCGFSZSA-N 0 3 248.370 3.006 20 0 BGADHN CC[C@H]1CCC[C@H]1CNCc1cccc(OC)n1 ZINC000449433838 388205519 /nfs/dbraw/zinc/20/55/19/388205519.db2.gz NZPOSFDOXATHCL-STQMWFEESA-N 0 3 248.370 3.006 20 0 BGADHN CCn1ccnc1CN1CCC[C@@]1(C)CC(C)C ZINC000449434321 388205631 /nfs/dbraw/zinc/20/56/31/388205631.db2.gz QMOWKJZGLYIJHD-HNNXBMFYSA-N 0 3 249.402 3.304 20 0 BGADHN CCn1ccnc1CN1CCC[C@]1(C)CC(C)C ZINC000449434322 388205398 /nfs/dbraw/zinc/20/53/98/388205398.db2.gz QMOWKJZGLYIJHD-OAHLLOKOSA-N 0 3 249.402 3.304 20 0 BGADHN Cc1cnc(CN2CCC[C@@]2(C)CC(C)C)n1C ZINC000449434486 388205380 /nfs/dbraw/zinc/20/53/80/388205380.db2.gz RGXHQSBPJIFXIA-HNNXBMFYSA-N 0 3 249.402 3.129 20 0 BGADHN Cc1cnc(CN2CCC[C@]2(C)CC(C)C)n1C ZINC000449434487 388205861 /nfs/dbraw/zinc/20/58/61/388205861.db2.gz RGXHQSBPJIFXIA-OAHLLOKOSA-N 0 3 249.402 3.129 20 0 BGADHN CC[C@@H]1CCC[C@H]1CNCc1nc(C)cs1 ZINC000449434503 388205687 /nfs/dbraw/zinc/20/56/87/388205687.db2.gz RJHSBJJOMJFXJM-NEPJUHHUSA-N 0 3 238.400 3.367 20 0 BGADHN CC[C@H]1CCC[C@@H]1CNCc1nc(C)cs1 ZINC000449434504 388205832 /nfs/dbraw/zinc/20/58/32/388205832.db2.gz RJHSBJJOMJFXJM-NWDGAFQWSA-N 0 3 238.400 3.367 20 0 BGADHN CC[C@H]1CCC[C@H]1CNCc1nc(C)cs1 ZINC000449434505 388205909 /nfs/dbraw/zinc/20/59/09/388205909.db2.gz RJHSBJJOMJFXJM-RYUDHWBXSA-N 0 3 238.400 3.367 20 0 BGADHN CC[C@@H]1CCC[C@@H]1CNCc1nc(C)cs1 ZINC000449434506 388205612 /nfs/dbraw/zinc/20/56/12/388205612.db2.gz RJHSBJJOMJFXJM-VXGBXAGGSA-N 0 3 238.400 3.367 20 0 BGADHN CC[C@@H]1CCC[C@@H]1CNCc1cscn1 ZINC000449434626 388205702 /nfs/dbraw/zinc/20/57/02/388205702.db2.gz RWSSWJBBKNCQLS-GHMZBOCLSA-N 0 3 224.373 3.059 20 0 BGADHN CC[C@@H]1CCC[C@H]1CNCc1cscn1 ZINC000449434627 384461614 /nfs/dbraw/zinc/46/16/14/384461614.db2.gz RWSSWJBBKNCQLS-MNOVXSKESA-N 0 3 224.373 3.059 20 0 BGADHN CC[C@H]1CCC[C@H]1CNCc1cscn1 ZINC000449434628 384460584 /nfs/dbraw/zinc/46/05/84/384460584.db2.gz RWSSWJBBKNCQLS-QWRGUYRKSA-N 0 3 224.373 3.059 20 0 BGADHN CC[C@H]1CCC[C@@H]1CNCc1cscn1 ZINC000449434629 384463027 /nfs/dbraw/zinc/46/30/27/384463027.db2.gz RWSSWJBBKNCQLS-WDEREUQCSA-N 0 3 224.373 3.059 20 0 BGADHN CC[C@@H]1CCC[C@H]1CNCc1ncc(C)s1 ZINC000449435458 388205571 /nfs/dbraw/zinc/20/55/71/388205571.db2.gz VSLJWYCFMGMICR-NEPJUHHUSA-N 0 3 238.400 3.367 20 0 BGADHN CC[C@H]1CCC[C@@H]1CNCc1ncc(C)s1 ZINC000449435459 388205725 /nfs/dbraw/zinc/20/57/25/388205725.db2.gz VSLJWYCFMGMICR-NWDGAFQWSA-N 0 3 238.400 3.367 20 0 BGADHN CC[C@H]1CCC[C@H]1CNCc1ncc(C)s1 ZINC000449435460 388205620 /nfs/dbraw/zinc/20/56/20/388205620.db2.gz VSLJWYCFMGMICR-RYUDHWBXSA-N 0 3 238.400 3.367 20 0 BGADHN CC[C@@H]1CCC[C@@H]1CNCc1ncc(C)s1 ZINC000449435461 388205799 /nfs/dbraw/zinc/20/57/99/388205799.db2.gz VSLJWYCFMGMICR-VXGBXAGGSA-N 0 3 238.400 3.367 20 0 BGADHN CC(C)=CCC[C@@H](C)[NH2+]Cc1nc(C)ccc1[O-] ZINC000449440926 388207124 /nfs/dbraw/zinc/20/71/24/388207124.db2.gz DNOCTVLAUNZCPM-GFCCVEGCSA-N 0 3 248.370 3.320 20 0 BGADHN CC(C)=CCC[C@H](C)[NH2+]Cc1nc(C)ccc1[O-] ZINC000449440927 201924259 /nfs/dbraw/zinc/92/42/59/201924259.db2.gz DNOCTVLAUNZCPM-LBPRGKRZSA-N 0 3 248.370 3.320 20 0 BGADHN CC(C)=CCC[C@@H](C)NCc1ccncc1F ZINC000449443763 398298866 /nfs/dbraw/zinc/29/88/66/398298866.db2.gz VMEXFEGSTTUHTI-GFCCVEGCSA-N 0 3 236.334 3.445 20 0 BGADHN CC(C)=CCC[C@H](C)NCc1ccncc1F ZINC000449443764 398299195 /nfs/dbraw/zinc/29/91/95/398299195.db2.gz VMEXFEGSTTUHTI-LBPRGKRZSA-N 0 3 236.334 3.445 20 0 BGADHN CS[C@@H]1CCN(C/C=C\c2ccccc2)C1 ZINC000449445200 388207858 /nfs/dbraw/zinc/20/78/58/388207858.db2.gz HPGGASOMVJJCKN-BMWLXYDHSA-N 0 3 233.380 3.137 20 0 BGADHN CS[C@H]1CCN(C/C=C\c2ccccc2)C1 ZINC000449445201 388207967 /nfs/dbraw/zinc/20/79/67/388207967.db2.gz HPGGASOMVJJCKN-PODYEWJSSA-N 0 3 233.380 3.137 20 0 BGADHN CCC=CCNCc1cc(-c2ccccc2)n[nH]1 ZINC000449449867 384576074 /nfs/dbraw/zinc/57/60/74/384576074.db2.gz ABXBDUASSJJUAR-CLTKARDFSA-N 0 3 241.338 3.133 20 0 BGADHN CCC=CCNCc1cc(-c2ccccc2)n[nH]1 ZINC000449449868 384575440 /nfs/dbraw/zinc/57/54/40/384575440.db2.gz ABXBDUASSJJUAR-XVNBXDOJSA-N 0 3 241.338 3.133 20 0 BGADHN Cc1cc(CN2CCC(CF)CC2)ccc1F ZINC000449450366 388209513 /nfs/dbraw/zinc/20/95/13/388209513.db2.gz BGMAOYYLISFTFX-UHFFFAOYSA-N 0 3 239.309 3.316 20 0 BGADHN CC/C=C/CNCc1ccc(OCC)c(F)c1 ZINC000449450942 388209314 /nfs/dbraw/zinc/20/93/14/388209314.db2.gz CATXULYBDXWFMP-AATRIKPKSA-N 0 3 237.318 3.280 20 0 BGADHN CC/C=C\CNCc1ccc(OCC)c(F)c1 ZINC000449450943 384585062 /nfs/dbraw/zinc/58/50/62/384585062.db2.gz CATXULYBDXWFMP-WAYWQWQTSA-N 0 3 237.318 3.280 20 0 BGADHN CC/C=C\CNCc1cccc(OC(F)F)c1 ZINC000449451043 388209630 /nfs/dbraw/zinc/20/96/30/388209630.db2.gz COGPPPVJFDELPW-ARJAWSKDSA-N 0 3 241.281 3.344 20 0 BGADHN CC/C=C/CNCc1cccc(OC(F)F)c1 ZINC000449451044 388209427 /nfs/dbraw/zinc/20/94/27/388209427.db2.gz COGPPPVJFDELPW-ONEGZZNKSA-N 0 3 241.281 3.344 20 0 BGADHN CC/C=C/CNCc1ccc(C)cc1OC ZINC000449451166 388209324 /nfs/dbraw/zinc/20/93/24/388209324.db2.gz CRSCKILGJRMFJU-AATRIKPKSA-N 0 3 219.328 3.059 20 0 BGADHN CC/C=C\CNCc1ccc(C)cc1OC ZINC000449451167 388209523 /nfs/dbraw/zinc/20/95/23/388209523.db2.gz CRSCKILGJRMFJU-WAYWQWQTSA-N 0 3 219.328 3.059 20 0 BGADHN CC/C=C\CNCc1cc2c(cccc2F)[nH]1 ZINC000449451194 388209070 /nfs/dbraw/zinc/20/90/70/388209070.db2.gz CVJNXJQLNVOLPO-ARJAWSKDSA-N 0 3 232.302 3.363 20 0 BGADHN CC/C=C/CNCc1cc2c(cccc2F)[nH]1 ZINC000449451195 388209197 /nfs/dbraw/zinc/20/91/97/388209197.db2.gz CVJNXJQLNVOLPO-ONEGZZNKSA-N 0 3 232.302 3.363 20 0 BGADHN Cc1cccc(CN2CCC(CF)CC2)c1F ZINC000449451954 388209064 /nfs/dbraw/zinc/20/90/64/388209064.db2.gz FCKJVORIZMYAKQ-UHFFFAOYSA-N 0 3 239.309 3.316 20 0 BGADHN CCC=CCNCc1cnc(-c2ccccc2)[nH]1 ZINC000449451955 388209453 /nfs/dbraw/zinc/20/94/53/388209453.db2.gz FCOQLXHAUBXLSY-CLTKARDFSA-N 0 3 241.338 3.133 20 0 BGADHN CCC=CCNCc1c[nH]c(-c2ccccc2)n1 ZINC000449451955 388209451 /nfs/dbraw/zinc/20/94/51/388209451.db2.gz FCOQLXHAUBXLSY-CLTKARDFSA-N 0 3 241.338 3.133 20 0 BGADHN CC/C=C\CNCc1c(C)nn(C(C)(C)C)c1C ZINC000449452740 388209615 /nfs/dbraw/zinc/20/96/15/388209615.db2.gz GRJRTUNVOVCBPM-HJWRWDBZSA-N 0 3 249.402 3.311 20 0 BGADHN CC/C=C\CNCc1cnc(C2CCC2)s1 ZINC000449452874 388209665 /nfs/dbraw/zinc/20/96/65/388209665.db2.gz GWAWQBHQUOBDTD-ARJAWSKDSA-N 0 3 236.384 3.466 20 0 BGADHN CC/C=C/CNCc1cnc(C2CCC2)s1 ZINC000449452875 388209252 /nfs/dbraw/zinc/20/92/52/388209252.db2.gz GWAWQBHQUOBDTD-ONEGZZNKSA-N 0 3 236.384 3.466 20 0 BGADHN CC/C=C\CNCc1ccc(F)c2cccnc12 ZINC000449453769 388210395 /nfs/dbraw/zinc/21/03/95/388210395.db2.gz IKUPZDZYQMEKJC-ARJAWSKDSA-N 0 3 244.313 3.430 20 0 BGADHN CC/C=C/CNCc1ccc(F)c2cccnc12 ZINC000449453770 388210212 /nfs/dbraw/zinc/21/02/12/388210212.db2.gz IKUPZDZYQMEKJC-ONEGZZNKSA-N 0 3 244.313 3.430 20 0 BGADHN Cc1ccc(F)cc1CN1CCC(CF)CC1 ZINC000449454481 388210224 /nfs/dbraw/zinc/21/02/24/388210224.db2.gz JZTDPTWXWXTOFL-UHFFFAOYSA-N 0 3 239.309 3.316 20 0 BGADHN Cc1cc(F)ccc1CN1CCC(CF)CC1 ZINC000449455122 388210541 /nfs/dbraw/zinc/21/05/41/388210541.db2.gz KTMKMYGIJHJUPR-UHFFFAOYSA-N 0 3 239.309 3.316 20 0 BGADHN CC/C=C/CNC/C=C/c1ccccc1OC ZINC000449455135 388210041 /nfs/dbraw/zinc/21/00/41/388210041.db2.gz KXTWNBSHYGMTTO-DAAQNPAKSA-N 0 3 231.339 3.264 20 0 BGADHN CC/C=C/CNC/C=C\c1ccccc1OC ZINC000449455136 388209947 /nfs/dbraw/zinc/20/99/47/388209947.db2.gz KXTWNBSHYGMTTO-DODKFZKMSA-N 0 3 231.339 3.264 20 0 BGADHN CC/C=C\CNC/C=C\c1ccccc1OC ZINC000449455137 388210028 /nfs/dbraw/zinc/21/00/28/388210028.db2.gz KXTWNBSHYGMTTO-NIQHGUSQSA-N 0 3 231.339 3.264 20 0 BGADHN CC/C=C\CNC/C=C/c1ccccc1OC ZINC000449455138 388210282 /nfs/dbraw/zinc/21/02/82/388210282.db2.gz KXTWNBSHYGMTTO-WIXOJMCHSA-N 0 3 231.339 3.264 20 0 BGADHN CC/C=C\CNCc1cnc(-c2ccco2)s1 ZINC000449455169 388210123 /nfs/dbraw/zinc/21/01/23/388210123.db2.gz LBRDJLNHJWZKRD-ARJAWSKDSA-N 0 3 248.351 3.459 20 0 BGADHN CC/C=C/CNCc1cnc(C(C)C)s1 ZINC000449457132 388209903 /nfs/dbraw/zinc/20/99/03/388209903.db2.gz NLZDCVJIDSDLJX-AATRIKPKSA-N 0 3 224.373 3.322 20 0 BGADHN CC/C=C\CNCc1cnc(C(C)C)s1 ZINC000449457133 388210163 /nfs/dbraw/zinc/21/01/63/388210163.db2.gz NLZDCVJIDSDLJX-WAYWQWQTSA-N 0 3 224.373 3.322 20 0 BGADHN CC/C=C/CNCc1cnc(CC(C)C)s1 ZINC000449457856 388211299 /nfs/dbraw/zinc/21/12/99/388211299.db2.gz OEPNAQMPFJSLBD-AATRIKPKSA-N 0 3 238.400 3.397 20 0 BGADHN CC/C=C\CNCc1cnc(CC(C)C)s1 ZINC000449457857 388211053 /nfs/dbraw/zinc/21/10/53/388211053.db2.gz OEPNAQMPFJSLBD-WAYWQWQTSA-N 0 3 238.400 3.397 20 0 BGADHN CC/C=C\CN[C@@H](C)c1cc(C)ccn1 ZINC000449458261 388211072 /nfs/dbraw/zinc/21/10/72/388211072.db2.gz OVAJINQZVXHWJS-FJOGCWAESA-N 0 3 204.317 3.007 20 0 BGADHN CC/C=C\CN[C@H](C)c1cc(C)ccn1 ZINC000449458262 388210712 /nfs/dbraw/zinc/21/07/12/388210712.db2.gz OVAJINQZVXHWJS-FOQNGQEVSA-N 0 3 204.317 3.007 20 0 BGADHN CC/C=C\CNCc1c[nH]nc1-c1ccsc1 ZINC000449458424 388211349 /nfs/dbraw/zinc/21/13/49/388211349.db2.gz PDXZRXKBGPNCOM-ARJAWSKDSA-N 0 3 247.367 3.194 20 0 BGADHN CC/C=C/CNCc1c[nH]nc1-c1ccsc1 ZINC000449458425 388211225 /nfs/dbraw/zinc/21/12/25/388211225.db2.gz PDXZRXKBGPNCOM-ONEGZZNKSA-N 0 3 247.367 3.194 20 0 BGADHN FCC1CCN(C/C=C\c2ccccc2)CC1 ZINC000449458426 201931327 /nfs/dbraw/zinc/93/13/27/201931327.db2.gz PDYMWNBLVXOVQW-DAXSKMNVSA-N 0 3 233.330 3.381 20 0 BGADHN CC/C=C\CNCc1scnc1C1CC1 ZINC000449458708 398300260 /nfs/dbraw/zinc/30/02/60/398300260.db2.gz PMIGXVVJAMAUKW-ARJAWSKDSA-N 0 3 222.357 3.076 20 0 BGADHN CC/C=C/CNCc1scnc1C1CC1 ZINC000449458710 201930950 /nfs/dbraw/zinc/93/09/50/201930950.db2.gz PMIGXVVJAMAUKW-ONEGZZNKSA-N 0 3 222.357 3.076 20 0 BGADHN CC/C=C/CNCc1ccc(C)c(OC)c1 ZINC000449459134 384689933 /nfs/dbraw/zinc/68/99/33/384689933.db2.gz PXPYYNYYMOLLBT-AATRIKPKSA-N 0 3 219.328 3.059 20 0 BGADHN CC/C=C\CNCc1ccc(C)c(OC)c1 ZINC000449459136 384688333 /nfs/dbraw/zinc/68/83/33/384688333.db2.gz PXPYYNYYMOLLBT-WAYWQWQTSA-N 0 3 219.328 3.059 20 0 BGADHN CC/C=C\CNCc1ccc(OC)c(OC)c1C ZINC000449459501 388211127 /nfs/dbraw/zinc/21/11/27/388211127.db2.gz QFYHHNDCOGOJGP-SREVYHEPSA-N 0 3 249.354 3.068 20 0 BGADHN CC/C=C/CNCc1ccc(OC)c(OC)c1C ZINC000449459502 384691783 /nfs/dbraw/zinc/69/17/83/384691783.db2.gz QFYHHNDCOGOJGP-VOTSOKGWSA-N 0 3 249.354 3.068 20 0 BGADHN CC/C=C\CNCc1ccc2occc2c1 ZINC000449459524 384692766 /nfs/dbraw/zinc/69/27/66/384692766.db2.gz QJYBEWQFAGZKCJ-ARJAWSKDSA-N 0 3 215.296 3.489 20 0 BGADHN CC/C=C/CNCc1ccc2occc2c1 ZINC000449459525 384693915 /nfs/dbraw/zinc/69/39/15/384693915.db2.gz QJYBEWQFAGZKCJ-ONEGZZNKSA-N 0 3 215.296 3.489 20 0 BGADHN CC/C=C\CNCc1cnc2ccc(Cl)cn12 ZINC000449459970 388210718 /nfs/dbraw/zinc/21/07/18/388210718.db2.gz RBUYRDMNFQJEJL-ARJAWSKDSA-N 0 3 249.745 3.044 20 0 BGADHN CC/C=C/CNCc1cnc2ccc(Cl)cn12 ZINC000449459971 388210849 /nfs/dbraw/zinc/21/08/49/388210849.db2.gz RBUYRDMNFQJEJL-ONEGZZNKSA-N 0 3 249.745 3.044 20 0 BGADHN CC/C=C\CNCc1cc2ccc(F)cc2[nH]1 ZINC000449460338 388211336 /nfs/dbraw/zinc/21/13/36/388211336.db2.gz RLJPKRNBBKAHSG-ARJAWSKDSA-N 0 3 232.302 3.363 20 0 BGADHN CC/C=C/CNCc1cc2ccc(F)cc2[nH]1 ZINC000449460339 388211134 /nfs/dbraw/zinc/21/11/34/388211134.db2.gz RLJPKRNBBKAHSG-ONEGZZNKSA-N 0 3 232.302 3.363 20 0 BGADHN CC/C=C\CNC/C=C/c1ccc(F)cc1 ZINC000449461519 388211245 /nfs/dbraw/zinc/21/12/45/388211245.db2.gz SZVXAAFQUOWHQO-DNVGVPOPSA-N 0 3 219.303 3.395 20 0 BGADHN CC/C=C/CNC/C=C\c1ccc(F)cc1 ZINC000449461522 388210683 /nfs/dbraw/zinc/21/06/83/388210683.db2.gz SZVXAAFQUOWHQO-ICWBMWKASA-N 0 3 219.303 3.395 20 0 BGADHN CC/C=C\CNC/C=C\c1ccc(F)cc1 ZINC000449461524 388211165 /nfs/dbraw/zinc/21/11/65/388211165.db2.gz SZVXAAFQUOWHQO-OUPQRBNQSA-N 0 3 219.303 3.395 20 0 BGADHN CC/C=C/CNC/C=C/c1ccc(F)cc1 ZINC000449461526 388211019 /nfs/dbraw/zinc/21/10/19/388211019.db2.gz SZVXAAFQUOWHQO-VNKDHWASSA-N 0 3 219.303 3.395 20 0 BGADHN CC/C=C\CNCc1cc2cc(OC)ccc2o1 ZINC000449461876 384742814 /nfs/dbraw/zinc/74/28/14/384742814.db2.gz UCQKOITXTFCUMM-PLNGDYQASA-N 0 3 245.322 3.497 20 0 BGADHN CC/C=C/CNCc1cc2cc(OC)ccc2o1 ZINC000449461877 384742309 /nfs/dbraw/zinc/74/23/09/384742309.db2.gz UCQKOITXTFCUMM-SNAWJCMRSA-N 0 3 245.322 3.497 20 0 BGADHN FCC1CCN(Cc2ccc3c(c2)CCC3)CC1 ZINC000449461904 388210977 /nfs/dbraw/zinc/21/09/77/388210977.db2.gz UHPYNPCIHNITHG-UHFFFAOYSA-N 0 3 247.357 3.357 20 0 BGADHN Cc1ccc(F)c(CN2CCC(CF)CC2)c1 ZINC000449462163 384742860 /nfs/dbraw/zinc/74/28/60/384742860.db2.gz URCPFXMRUWRWEY-UHFFFAOYSA-N 0 3 239.309 3.316 20 0 BGADHN CC/C=C\CNCc1ccnn1C1CCCC1 ZINC000449462475 388212211 /nfs/dbraw/zinc/21/22/11/388212211.db2.gz VEHHRZRALBFLAA-UTCJRWHESA-N 0 3 233.359 3.054 20 0 BGADHN CC/C=C/CNCc1ccnn1C1CCCC1 ZINC000449462476 384746047 /nfs/dbraw/zinc/74/60/47/384746047.db2.gz VEHHRZRALBFLAA-ZZXKWVIFSA-N 0 3 233.359 3.054 20 0 BGADHN CC/C=C\CNCc1cccc2ccoc21 ZINC000449462537 388211890 /nfs/dbraw/zinc/21/18/90/388211890.db2.gz VOYWDHJQWQLWAT-ARJAWSKDSA-N 0 3 215.296 3.489 20 0 BGADHN CC/C=C/CNCc1cccc2ccoc21 ZINC000449462538 388212076 /nfs/dbraw/zinc/21/20/76/388212076.db2.gz VOYWDHJQWQLWAT-ONEGZZNKSA-N 0 3 215.296 3.489 20 0 BGADHN CC/C=C\CN[C@H]1CCCNc2ccccc21 ZINC000449464367 384791726 /nfs/dbraw/zinc/79/17/26/384791726.db2.gz YBEKVUUQPSGEHM-BYPUDFOVSA-N 0 3 230.355 3.489 20 0 BGADHN CC/C=C\CN[C@@H]1CCCNc2ccccc21 ZINC000449464373 384790264 /nfs/dbraw/zinc/79/02/64/384790264.db2.gz YBEKVUUQPSGEHM-OMVNSRBRSA-N 0 3 230.355 3.489 20 0 BGADHN CC/C=C\CNCc1cc(OC)c(OC)cc1C ZINC000449464533 388212116 /nfs/dbraw/zinc/21/21/16/388212116.db2.gz YLDSGEUZGCJIOR-SREVYHEPSA-N 0 3 249.354 3.068 20 0 BGADHN CC/C=C/CNCc1cc(OC)c(OC)cc1C ZINC000449464534 388212183 /nfs/dbraw/zinc/21/21/83/388212183.db2.gz YLDSGEUZGCJIOR-VOTSOKGWSA-N 0 3 249.354 3.068 20 0 BGADHN Cc1ccc(CN2CCC(CF)CC2)cc1F ZINC000449464657 205483681 /nfs/dbraw/zinc/48/36/81/205483681.db2.gz YOBOCOGPVHZIAK-UHFFFAOYSA-N 0 3 239.309 3.316 20 0 BGADHN CC/C=C\CNCC1=Cc2ccccc2OC1 ZINC000449464661 384793062 /nfs/dbraw/zinc/79/30/62/384793062.db2.gz YOLBEQDGOFIIRA-UTCJRWHESA-N 0 3 229.323 3.018 20 0 BGADHN CC/C=C\CNCc1cc(F)cc2cccnc21 ZINC000449464673 388212278 /nfs/dbraw/zinc/21/22/78/388212278.db2.gz YPVAGDLNDMIAST-ARJAWSKDSA-N 0 3 244.313 3.430 20 0 BGADHN CC/C=C/CNCc1cc(F)cc2cccnc21 ZINC000449464674 388212085 /nfs/dbraw/zinc/21/20/85/388212085.db2.gz YPVAGDLNDMIAST-ONEGZZNKSA-N 0 3 244.313 3.430 20 0 BGADHN CCC[C@H](NCc1nccs1)C(C)(C)C ZINC000449466446 388212041 /nfs/dbraw/zinc/21/20/41/388212041.db2.gz GXAYXYTVCIGDRW-JTQLQIEISA-N 0 3 226.389 3.448 20 0 BGADHN CCC[C@@H](NCc1nccs1)C(C)(C)C ZINC000449466447 388211589 /nfs/dbraw/zinc/21/15/89/388211589.db2.gz GXAYXYTVCIGDRW-SNVBAGLBSA-N 0 3 226.389 3.448 20 0 BGADHN CCC[C@@H](NCc1cscn1)C(C)(C)C ZINC000449468044 201931725 /nfs/dbraw/zinc/93/17/25/201931725.db2.gz KEPLKDICKCJSBP-LLVKDONJSA-N 0 3 226.389 3.448 20 0 BGADHN CCC[C@H](NCc1cscn1)C(C)(C)C ZINC000449468045 388212951 /nfs/dbraw/zinc/21/29/51/388212951.db2.gz KEPLKDICKCJSBP-NSHDSACASA-N 0 3 226.389 3.448 20 0 BGADHN CCC[C@@H](NCc1nccn1CC)C(C)(C)C ZINC000449469459 388212868 /nfs/dbraw/zinc/21/28/68/388212868.db2.gz MNQZGKGRSVULFC-GFCCVEGCSA-N 0 3 237.391 3.207 20 0 BGADHN CCC[C@H](NCc1nccn1CC)C(C)(C)C ZINC000449469460 388212450 /nfs/dbraw/zinc/21/24/50/388212450.db2.gz MNQZGKGRSVULFC-LBPRGKRZSA-N 0 3 237.391 3.207 20 0 BGADHN CCC[C@@H](NCc1cnc(C)cn1)C(C)(C)C ZINC000449473029 259349288 /nfs/dbraw/zinc/34/92/88/259349288.db2.gz QMMIQYMUXGDYLR-CYBMUJFWSA-N 0 3 235.375 3.089 20 0 BGADHN CCC[C@H](NCc1cnc(C)cn1)C(C)(C)C ZINC000449473030 259349314 /nfs/dbraw/zinc/34/93/14/259349314.db2.gz QMMIQYMUXGDYLR-ZDUSSCGKSA-N 0 3 235.375 3.089 20 0 BGADHN CCC[C@@H](NCc1ccnc(C)n1)C(C)(C)C ZINC000449473644 388214001 /nfs/dbraw/zinc/21/40/01/388214001.db2.gz RDQBINLDDVSDTC-CYBMUJFWSA-N 0 3 235.375 3.089 20 0 BGADHN CCC[C@H](NCc1ccnc(C)n1)C(C)(C)C ZINC000449473649 388213476 /nfs/dbraw/zinc/21/34/76/388213476.db2.gz RDQBINLDDVSDTC-ZDUSSCGKSA-N 0 3 235.375 3.089 20 0 BGADHN CCC[C@@H](NCc1n[nH]cc1C)C(C)(C)C ZINC000449476579 388214359 /nfs/dbraw/zinc/21/43/59/388214359.db2.gz VNHKUNYPBKADJK-GFCCVEGCSA-N 0 3 223.364 3.023 20 0 BGADHN CCC[C@H](NCc1n[nH]cc1C)C(C)(C)C ZINC000449476580 388214273 /nfs/dbraw/zinc/21/42/73/388214273.db2.gz VNHKUNYPBKADJK-LBPRGKRZSA-N 0 3 223.364 3.023 20 0 BGADHN Cc1ccc(CNC[C@@H]2CCOC3(CCC3)C2)o1 ZINC000449477184 388214833 /nfs/dbraw/zinc/21/48/33/388214833.db2.gz OJTPZSJMLUMRBO-CYBMUJFWSA-N 0 3 249.354 3.027 20 0 BGADHN Cc1ccc(CNC[C@H]2CCOC3(CCC3)C2)o1 ZINC000449477185 388214613 /nfs/dbraw/zinc/21/46/13/388214613.db2.gz OJTPZSJMLUMRBO-ZDUSSCGKSA-N 0 3 249.354 3.027 20 0 BGADHN CCC[C@@H](NCc1ncc(C)n1C)C(C)(C)C ZINC000449479216 388215117 /nfs/dbraw/zinc/21/51/17/388215117.db2.gz ZJQSXCKMPCWENX-GFCCVEGCSA-N 0 3 237.391 3.033 20 0 BGADHN CCC[C@H](NCc1ncc(C)n1C)C(C)(C)C ZINC000449479217 388215375 /nfs/dbraw/zinc/21/53/75/388215375.db2.gz ZJQSXCKMPCWENX-LBPRGKRZSA-N 0 3 237.391 3.033 20 0 BGADHN CCC[C@@H](NCc1conc1C)C(C)(C)C ZINC000449479230 388214425 /nfs/dbraw/zinc/21/44/25/388214425.db2.gz ZMGWMWDNUWTVEN-GFCCVEGCSA-N 0 3 224.348 3.287 20 0 BGADHN CCC[C@H](NCc1conc1C)C(C)(C)C ZINC000449479231 388214718 /nfs/dbraw/zinc/21/47/18/388214718.db2.gz ZMGWMWDNUWTVEN-LBPRGKRZSA-N 0 3 224.348 3.287 20 0 BGADHN CCc1ccc(CNCc2cc(C)cs2)cn1 ZINC000449481701 388215532 /nfs/dbraw/zinc/21/55/32/388215532.db2.gz VDSGFJGXRCARRB-UHFFFAOYSA-N 0 3 246.379 3.304 20 0 BGADHN CC[C@@H]1C[C@H]1CNCc1csc(C2CC2)n1 ZINC000449482290 388214739 /nfs/dbraw/zinc/21/47/39/388214739.db2.gz BHNPELJGLKBWIA-KOLCDFICSA-N 0 3 236.384 3.156 20 0 BGADHN CCCc1csc(CNC[C@@H]2C[C@H]2CC)n1 ZINC000449483042 388216072 /nfs/dbraw/zinc/21/60/72/388216072.db2.gz FWNVWUOTTPWHPY-MNOVXSKESA-N 0 3 238.400 3.231 20 0 BGADHN CC[C@@H]1C[C@H]1CN[C@H](C)c1cc(C)ccn1 ZINC000449483088 385171383 /nfs/dbraw/zinc/17/13/83/385171383.db2.gz GDUJZZBIZKOIOC-UPJWGTAASA-N 0 3 218.344 3.087 20 0 BGADHN CC[C@@H]1C[C@H]1CN[C@@H](C)c1cc(C)ccn1 ZINC000449483089 385171668 /nfs/dbraw/zinc/17/16/68/385171668.db2.gz GDUJZZBIZKOIOC-XQQFMLRXSA-N 0 3 218.344 3.087 20 0 BGADHN Cc1ccoc1CNCCCc1ncccc1C ZINC000449484768 388216380 /nfs/dbraw/zinc/21/63/80/388216380.db2.gz NORUIXUFOBMNBE-UHFFFAOYSA-N 0 3 244.338 3.014 20 0 BGADHN CCc1nocc1CNCC(C)(C)C1CCC1 ZINC000449484789 388216336 /nfs/dbraw/zinc/21/63/36/388216336.db2.gz JBLOQTFMNAFRRL-UHFFFAOYSA-N 0 3 236.359 3.153 20 0 BGADHN Fc1cnccc1CNCC1CCCCCC1 ZINC000449484795 398301168 /nfs/dbraw/zinc/30/11/68/398301168.db2.gz JCXWZAVFYSVIQO-UHFFFAOYSA-N 0 3 236.334 3.281 20 0 BGADHN CC(C)(CNCc1ccncc1F)C1CCC1 ZINC000449486064 488158653 /nfs/dbraw/zinc/15/86/53/488158653.db2.gz QANJWMBXYOGYCB-UHFFFAOYSA-N 0 3 236.334 3.137 20 0 BGADHN CC[C@@H]1C[C@H]1CNCc1ncc(C(C)C)s1 ZINC000449486997 388216837 /nfs/dbraw/zinc/21/68/37/388216837.db2.gz WCMZRWUOADVIOG-MNOVXSKESA-N 0 3 238.400 3.402 20 0 BGADHN CCc1nocc1CNCC1CCCCCC1 ZINC000449487673 388216889 /nfs/dbraw/zinc/21/68/89/388216889.db2.gz ZYPKDMQLPPOMPN-UHFFFAOYSA-N 0 3 236.359 3.297 20 0 BGADHN CO[C@@H]1CCN(C/C=C/c2ccccc2)C[C@@H]1C ZINC000449512438 388221250 /nfs/dbraw/zinc/22/12/50/388221250.db2.gz ZTZCEWAHAJDDHZ-BILQUBDUSA-N 0 3 245.366 3.057 20 0 BGADHN CO[C@@H]1CCN(C/C=C/c2ccccc2)C[C@H]1C ZINC000449512439 388221237 /nfs/dbraw/zinc/22/12/37/388221237.db2.gz ZTZCEWAHAJDDHZ-FPTQRPOBSA-N 0 3 245.366 3.057 20 0 BGADHN CO[C@@H]1CCN(C/C=C\c2ccccc2)C[C@H]1C ZINC000449512441 388221273 /nfs/dbraw/zinc/22/12/73/388221273.db2.gz ZTZCEWAHAJDDHZ-YRPJOXRESA-N 0 3 245.366 3.057 20 0 BGADHN CO[C@@H]1CCN(C/C=C\c2ccccc2)C[C@@H]1C ZINC000449512442 388221438 /nfs/dbraw/zinc/22/14/38/388221438.db2.gz ZTZCEWAHAJDDHZ-ZJIBPLLGSA-N 0 3 245.366 3.057 20 0 BGADHN COc1c(O)cccc1CNC(C)(C)C1CCC1 ZINC000449516764 388221732 /nfs/dbraw/zinc/22/17/32/388221732.db2.gz BYUIMDMFSBVDCR-UHFFFAOYSA-N 0 3 249.354 3.069 20 0 BGADHN CO[C@@H]1CCC[C@H]1NCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000449518885 388222969 /nfs/dbraw/zinc/22/29/69/388222969.db2.gz BDHWOPJAYZUTND-BPGGGUHBSA-N 0 3 249.354 3.060 20 0 BGADHN CO[C@@H]1CCC[C@H]1NCc1ccc([C@H]2C[C@H]2C)o1 ZINC000449518888 388222340 /nfs/dbraw/zinc/22/23/40/388222340.db2.gz BDHWOPJAYZUTND-CQROYNQRSA-N 0 3 249.354 3.060 20 0 BGADHN CO[C@@H]1CCC[C@H]1NCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000449518889 388222640 /nfs/dbraw/zinc/22/26/40/388222640.db2.gz BDHWOPJAYZUTND-MUYACECFSA-N 0 3 249.354 3.060 20 0 BGADHN c1cc(CN2CCSC[C@@H]2C2CC2)cs1 ZINC000449525950 388223962 /nfs/dbraw/zinc/22/39/62/388223962.db2.gz CUYJLUQFBWJLIN-GFCCVEGCSA-N 0 3 239.409 3.076 20 0 BGADHN c1cc(CN2CCSC[C@H]2C2CC2)cs1 ZINC000449525951 388224338 /nfs/dbraw/zinc/22/43/38/388224338.db2.gz CUYJLUQFBWJLIN-LBPRGKRZSA-N 0 3 239.409 3.076 20 0 BGADHN Cc1ccc(CN2CCSC[C@H]2C2CC2)cc1 ZINC000449528384 388224892 /nfs/dbraw/zinc/22/48/92/388224892.db2.gz PAENIWODTOAKAR-HNNXBMFYSA-N 0 3 247.407 3.322 20 0 BGADHN Cc1ccc(CN2CCSC[C@@H]2C2CC2)cc1 ZINC000449528385 388225532 /nfs/dbraw/zinc/22/55/32/388225532.db2.gz PAENIWODTOAKAR-OAHLLOKOSA-N 0 3 247.407 3.322 20 0 BGADHN c1csc(CN2CCSC[C@@H]2C2CC2)c1 ZINC000449528706 388224967 /nfs/dbraw/zinc/22/49/67/388224967.db2.gz RKCWCHZYOOOKPC-GFCCVEGCSA-N 0 3 239.409 3.076 20 0 BGADHN c1csc(CN2CCSC[C@H]2C2CC2)c1 ZINC000449528707 388225295 /nfs/dbraw/zinc/22/52/95/388225295.db2.gz RKCWCHZYOOOKPC-LBPRGKRZSA-N 0 3 239.409 3.076 20 0 BGADHN Cc1ccoc1CN1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000449531325 388224929 /nfs/dbraw/zinc/22/49/29/388224929.db2.gz BKXJTPOIUXNOKA-DZGCQCFKSA-N 0 3 231.339 3.208 20 0 BGADHN Cc1ccoc1CN1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000449531326 388224951 /nfs/dbraw/zinc/22/49/51/388224951.db2.gz BKXJTPOIUXNOKA-HIFRSBDPSA-N 0 3 231.339 3.208 20 0 BGADHN Cc1ccoc1CN1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000449531327 388225260 /nfs/dbraw/zinc/22/52/60/388225260.db2.gz BKXJTPOIUXNOKA-UKRRQHHQSA-N 0 3 231.339 3.208 20 0 BGADHN Cc1ccoc1CN1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000449531328 388225321 /nfs/dbraw/zinc/22/53/21/388225321.db2.gz BKXJTPOIUXNOKA-ZFWWWQNUSA-N 0 3 231.339 3.208 20 0 BGADHN Fc1cccc(CN2C[C@H](C3CC3)[C@@H]2C2CC2)c1 ZINC000449531821 388225815 /nfs/dbraw/zinc/22/58/15/388225815.db2.gz CHGHBKGCHTWJOE-CVEARBPZSA-N 0 3 245.341 3.446 20 0 BGADHN Fc1cccc(CN2C[C@@H](C3CC3)[C@@H]2C2CC2)c1 ZINC000449531830 388226466 /nfs/dbraw/zinc/22/64/66/388226466.db2.gz CHGHBKGCHTWJOE-HOTGVXAUSA-N 0 3 245.341 3.446 20 0 BGADHN Fc1cccc(CN2C[C@H](C3CC3)[C@H]2C2CC2)c1 ZINC000449531831 388226173 /nfs/dbraw/zinc/22/61/73/388226173.db2.gz CHGHBKGCHTWJOE-HZPDHXFCSA-N 0 3 245.341 3.446 20 0 BGADHN Fc1cccc(CN2C[C@@H](C3CC3)[C@H]2C2CC2)c1 ZINC000449531832 388226023 /nfs/dbraw/zinc/22/60/23/388226023.db2.gz CHGHBKGCHTWJOE-JKSUJKDBSA-N 0 3 245.341 3.446 20 0 BGADHN Cc1ccc(CN2C[C@H](C3CC3)[C@@H]2C2CC2)o1 ZINC000449535630 201957048 /nfs/dbraw/zinc/95/70/48/201957048.db2.gz HUGOXEUXLISVPR-CABCVRRESA-N 0 3 231.339 3.208 20 0 BGADHN Cc1ccc(CN2C[C@@H](C3CC3)[C@@H]2C2CC2)o1 ZINC000449535633 388225842 /nfs/dbraw/zinc/22/58/42/388225842.db2.gz HUGOXEUXLISVPR-GJZGRUSLSA-N 0 3 231.339 3.208 20 0 BGADHN Cc1ccc(CN2C[C@H](C3CC3)[C@H]2C2CC2)o1 ZINC000449535635 388225902 /nfs/dbraw/zinc/22/59/02/388225902.db2.gz HUGOXEUXLISVPR-HUUCEWRRSA-N 0 3 231.339 3.208 20 0 BGADHN Cc1ccc(CN2C[C@@H](C3CC3)[C@H]2C2CC2)o1 ZINC000449535638 388226197 /nfs/dbraw/zinc/22/61/97/388226197.db2.gz HUGOXEUXLISVPR-LSDHHAIUSA-N 0 3 231.339 3.208 20 0 BGADHN Cc1ncccc1CN1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000449537325 388226952 /nfs/dbraw/zinc/22/69/52/388226952.db2.gz JJZPGFXSSZZRQU-CVEARBPZSA-N 0 3 242.366 3.010 20 0 BGADHN Cc1ncccc1CN1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000449537326 388226946 /nfs/dbraw/zinc/22/69/46/388226946.db2.gz JJZPGFXSSZZRQU-HOTGVXAUSA-N 0 3 242.366 3.010 20 0 BGADHN Cc1ncccc1CN1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000449537327 388226850 /nfs/dbraw/zinc/22/68/50/388226850.db2.gz JJZPGFXSSZZRQU-HZPDHXFCSA-N 0 3 242.366 3.010 20 0 BGADHN Cc1ncccc1CN1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000449537328 388227410 /nfs/dbraw/zinc/22/74/10/388227410.db2.gz JJZPGFXSSZZRQU-JKSUJKDBSA-N 0 3 242.366 3.010 20 0 BGADHN Cc1ncsc1CN1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000449540936 388227503 /nfs/dbraw/zinc/22/75/03/388227503.db2.gz NJPJDNGPPAIABS-GXTWGEPZSA-N 0 3 248.395 3.072 20 0 BGADHN Cc1ncsc1CN1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000449540937 388227235 /nfs/dbraw/zinc/22/72/35/388227235.db2.gz NJPJDNGPPAIABS-JSGCOSHPSA-N 0 3 248.395 3.072 20 0 BGADHN Cc1ncsc1CN1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000449540938 388227162 /nfs/dbraw/zinc/22/71/62/388227162.db2.gz NJPJDNGPPAIABS-OCCSQVGLSA-N 0 3 248.395 3.072 20 0 BGADHN Cc1ncsc1CN1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000449540939 388227446 /nfs/dbraw/zinc/22/74/46/388227446.db2.gz NJPJDNGPPAIABS-TZMCWYRMSA-N 0 3 248.395 3.072 20 0 BGADHN [O-]c1cc(F)cc(C[NH2+]C23CCC(CC2)CC3)c1 ZINC000449542647 388227838 /nfs/dbraw/zinc/22/78/38/388227838.db2.gz QVTNBUKBLUKKFD-UHFFFAOYSA-N 0 3 249.329 3.344 20 0 BGADHN Cc1ccncc1CN1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000449542648 388227947 /nfs/dbraw/zinc/22/79/47/388227947.db2.gz QWSXQDVYQNUDAI-CVEARBPZSA-N 0 3 242.366 3.010 20 0 BGADHN Cc1ccncc1CN1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000449542649 388228553 /nfs/dbraw/zinc/22/85/53/388228553.db2.gz QWSXQDVYQNUDAI-HOTGVXAUSA-N 0 3 242.366 3.010 20 0 BGADHN Cc1ccncc1CN1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000449542650 388228434 /nfs/dbraw/zinc/22/84/34/388228434.db2.gz QWSXQDVYQNUDAI-HZPDHXFCSA-N 0 3 242.366 3.010 20 0 BGADHN Cc1ccncc1CN1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000449542651 388227954 /nfs/dbraw/zinc/22/79/54/388227954.db2.gz QWSXQDVYQNUDAI-JKSUJKDBSA-N 0 3 242.366 3.010 20 0 BGADHN Fc1ccccc1CN1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000449542969 388227891 /nfs/dbraw/zinc/22/78/91/388227891.db2.gz RVUZLBLEYGFGSG-GDBMZVCRSA-N 0 3 245.341 3.446 20 0 BGADHN Fc1ccccc1CN1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000449542970 388227917 /nfs/dbraw/zinc/22/79/17/388227917.db2.gz RVUZLBLEYGFGSG-GOEBONIOSA-N 0 3 245.341 3.446 20 0 BGADHN Fc1ccccc1CN1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000449542971 388228587 /nfs/dbraw/zinc/22/85/87/388228587.db2.gz RVUZLBLEYGFGSG-HOCLYGCPSA-N 0 3 245.341 3.446 20 0 BGADHN Fc1ccccc1CN1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000449542972 388227752 /nfs/dbraw/zinc/22/77/52/388227752.db2.gz RVUZLBLEYGFGSG-ZBFHGGJFSA-N 0 3 245.341 3.446 20 0 BGADHN Cc1ccc(CN2C[C@H](C3CC3)[C@@H]2C2CC2)nc1 ZINC000449543181 388227729 /nfs/dbraw/zinc/22/77/29/388227729.db2.gz SJAKYZIAWIUNTF-CVEARBPZSA-N 0 3 242.366 3.010 20 0 BGADHN Cc1ccc(CN2C[C@@H](C3CC3)[C@@H]2C2CC2)nc1 ZINC000449543182 388227722 /nfs/dbraw/zinc/22/77/22/388227722.db2.gz SJAKYZIAWIUNTF-HOTGVXAUSA-N 0 3 242.366 3.010 20 0 BGADHN Cc1ccc(CN2C[C@H](C3CC3)[C@H]2C2CC2)nc1 ZINC000449543183 388228584 /nfs/dbraw/zinc/22/85/84/388228584.db2.gz SJAKYZIAWIUNTF-HZPDHXFCSA-N 0 3 242.366 3.010 20 0 BGADHN Cc1ccc(CN2C[C@@H](C3CC3)[C@H]2C2CC2)nc1 ZINC000449543184 388228059 /nfs/dbraw/zinc/22/80/59/388228059.db2.gz SJAKYZIAWIUNTF-JKSUJKDBSA-N 0 3 242.366 3.010 20 0 BGADHN Cc1ncc(CN2C[C@@H](C3CC3)[C@@H]2C2CC2)s1 ZINC000449543193 384469506 /nfs/dbraw/zinc/46/95/06/384469506.db2.gz SJLVDGBOYSAHSD-KBPBESRZSA-N 0 3 248.395 3.072 20 0 BGADHN Cc1ncc(CN2C[C@H](C3CC3)[C@@H]2C2CC2)s1 ZINC000449543194 384469011 /nfs/dbraw/zinc/46/90/11/384469011.db2.gz SJLVDGBOYSAHSD-KGLIPLIRSA-N 0 3 248.395 3.072 20 0 BGADHN Cc1ncc(CN2C[C@@H](C3CC3)[C@H]2C2CC2)s1 ZINC000449543195 384468732 /nfs/dbraw/zinc/46/87/32/384468732.db2.gz SJLVDGBOYSAHSD-UONOGXRCSA-N 0 3 248.395 3.072 20 0 BGADHN Cc1ncc(CN2C[C@H](C3CC3)[C@H]2C2CC2)s1 ZINC000449543196 384468006 /nfs/dbraw/zinc/46/80/06/384468006.db2.gz SJLVDGBOYSAHSD-ZIAGYGMSSA-N 0 3 248.395 3.072 20 0 BGADHN Fc1ccc(CN2C[C@H](C3CC3)[C@@H]2C2CC2)cc1 ZINC000449543691 388227801 /nfs/dbraw/zinc/22/78/01/388227801.db2.gz UKEAASUOEDIFDT-CVEARBPZSA-N 0 3 245.341 3.446 20 0 BGADHN Fc1ccc(CN2C[C@@H](C3CC3)[C@@H]2C2CC2)cc1 ZINC000449543692 388228072 /nfs/dbraw/zinc/22/80/72/388228072.db2.gz UKEAASUOEDIFDT-HOTGVXAUSA-N 0 3 245.341 3.446 20 0 BGADHN Fc1ccc(CN2C[C@H](C3CC3)[C@H]2C2CC2)cc1 ZINC000449543693 388228212 /nfs/dbraw/zinc/22/82/12/388228212.db2.gz UKEAASUOEDIFDT-HZPDHXFCSA-N 0 3 245.341 3.446 20 0 BGADHN Fc1ccc(CN2C[C@@H](C3CC3)[C@H]2C2CC2)cc1 ZINC000449543694 388228420 /nfs/dbraw/zinc/22/84/20/388228420.db2.gz UKEAASUOEDIFDT-JKSUJKDBSA-N 0 3 245.341 3.446 20 0 BGADHN Cc1ccc(CN2C[C@H](C3CC3)[C@@H]2C2CC2)cn1 ZINC000449544119 398303109 /nfs/dbraw/zinc/30/31/09/398303109.db2.gz VLJIDZLZDQZXMZ-CVEARBPZSA-N 0 3 242.366 3.010 20 0 BGADHN Cc1ccc(CN2C[C@@H](C3CC3)[C@@H]2C2CC2)cn1 ZINC000449544120 398302923 /nfs/dbraw/zinc/30/29/23/398302923.db2.gz VLJIDZLZDQZXMZ-HOTGVXAUSA-N 0 3 242.366 3.010 20 0 BGADHN Cc1ccc(CN2C[C@H](C3CC3)[C@H]2C2CC2)cn1 ZINC000449544121 398303153 /nfs/dbraw/zinc/30/31/53/398303153.db2.gz VLJIDZLZDQZXMZ-HZPDHXFCSA-N 0 3 242.366 3.010 20 0 BGADHN Cc1ccc(CN2C[C@@H](C3CC3)[C@H]2C2CC2)cn1 ZINC000449544123 398302807 /nfs/dbraw/zinc/30/28/07/398302807.db2.gz VLJIDZLZDQZXMZ-JKSUJKDBSA-N 0 3 242.366 3.010 20 0 BGADHN CC(C)[C@H]1CN(Cc2ccccn2)[C@H]1C(C)C ZINC000449549805 388229626 /nfs/dbraw/zinc/22/96/26/388229626.db2.gz AOVVOFOXJIVOJX-CABCVRRESA-N 0 3 232.371 3.194 20 0 BGADHN CC(C)[C@@H]1CN(Cc2ccccn2)[C@H]1C(C)C ZINC000449549806 388230096 /nfs/dbraw/zinc/23/00/96/388230096.db2.gz AOVVOFOXJIVOJX-GJZGRUSLSA-N 0 3 232.371 3.194 20 0 BGADHN CC(C)[C@@H]1[C@@H](C(C)C)CN1Cc1ccccn1 ZINC000449549807 388229646 /nfs/dbraw/zinc/22/96/46/388229646.db2.gz AOVVOFOXJIVOJX-HUUCEWRRSA-N 0 3 232.371 3.194 20 0 BGADHN CC(C)[C@@H]1CN(Cc2ccccn2)[C@@H]1C(C)C ZINC000449549808 388229756 /nfs/dbraw/zinc/22/97/56/388229756.db2.gz AOVVOFOXJIVOJX-LSDHHAIUSA-N 0 3 232.371 3.194 20 0 BGADHN CCn1cc(CN2C[C@H](C(C)C)[C@@H]2C(C)C)cn1 ZINC000449550493 388231018 /nfs/dbraw/zinc/23/10/18/388231018.db2.gz DAUSJXAWECDMFK-CABCVRRESA-N 0 3 249.402 3.015 20 0 BGADHN CCn1cc(CN2C[C@@H](C(C)C)[C@@H]2C(C)C)cn1 ZINC000449550494 388230246 /nfs/dbraw/zinc/23/02/46/388230246.db2.gz DAUSJXAWECDMFK-GJZGRUSLSA-N 0 3 249.402 3.015 20 0 BGADHN CCn1cc(CN2C[C@H](C(C)C)[C@H]2C(C)C)cn1 ZINC000449550495 388230877 /nfs/dbraw/zinc/23/08/77/388230877.db2.gz DAUSJXAWECDMFK-HUUCEWRRSA-N 0 3 249.402 3.015 20 0 BGADHN CCn1cc(CN2C[C@@H](C(C)C)[C@H]2C(C)C)cn1 ZINC000449550496 388230230 /nfs/dbraw/zinc/23/02/30/388230230.db2.gz DAUSJXAWECDMFK-LSDHHAIUSA-N 0 3 249.402 3.015 20 0 BGADHN CC(C)[C@H]1CN(Cc2cccnc2)[C@H]1C(C)C ZINC000449552292 384515969 /nfs/dbraw/zinc/51/59/69/384515969.db2.gz ILCPAYBQFZPNDC-CABCVRRESA-N 0 3 232.371 3.194 20 0 BGADHN CC(C)[C@@H]1CN(Cc2cccnc2)[C@H]1C(C)C ZINC000449552293 384517584 /nfs/dbraw/zinc/51/75/84/384517584.db2.gz ILCPAYBQFZPNDC-GJZGRUSLSA-N 0 3 232.371 3.194 20 0 BGADHN CC(C)[C@@H]1[C@@H](C(C)C)CN1Cc1cccnc1 ZINC000449552294 384516504 /nfs/dbraw/zinc/51/65/04/384516504.db2.gz ILCPAYBQFZPNDC-HUUCEWRRSA-N 0 3 232.371 3.194 20 0 BGADHN CC(C)[C@@H]1CN(Cc2cccnc2)[C@@H]1C(C)C ZINC000449552295 384516050 /nfs/dbraw/zinc/51/60/50/384516050.db2.gz ILCPAYBQFZPNDC-LSDHHAIUSA-N 0 3 232.371 3.194 20 0 BGADHN C=Cn1cc(CN2C[C@H](C(C)C)[C@@H]2C(C)C)cn1 ZINC000449552533 388230390 /nfs/dbraw/zinc/23/03/90/388230390.db2.gz JHEMAHWQTLGYJD-CABCVRRESA-N 0 3 247.386 3.096 20 0 BGADHN C=Cn1cc(CN2C[C@@H](C(C)C)[C@@H]2C(C)C)cn1 ZINC000449552534 388230967 /nfs/dbraw/zinc/23/09/67/388230967.db2.gz JHEMAHWQTLGYJD-GJZGRUSLSA-N 0 3 247.386 3.096 20 0 BGADHN C=Cn1cc(CN2C[C@H](C(C)C)[C@H]2C(C)C)cn1 ZINC000449552535 388230687 /nfs/dbraw/zinc/23/06/87/388230687.db2.gz JHEMAHWQTLGYJD-HUUCEWRRSA-N 0 3 247.386 3.096 20 0 BGADHN C=Cn1cc(CN2C[C@@H](C(C)C)[C@H]2C(C)C)cn1 ZINC000449552536 388230959 /nfs/dbraw/zinc/23/09/59/388230959.db2.gz JHEMAHWQTLGYJD-LSDHHAIUSA-N 0 3 247.386 3.096 20 0 BGADHN CCc1nc(CNC[C@@H]2C[C@H]2C(C)C)cs1 ZINC000449552825 388230953 /nfs/dbraw/zinc/23/09/53/388230953.db2.gz KKYLAOBPVFFYSL-JQWIXIFHSA-N 0 3 238.400 3.087 20 0 BGADHN Cc1nocc1CN1C[C@@H](C(C)C)[C@@H]1C(C)C ZINC000449554638 397954995 /nfs/dbraw/zinc/95/49/95/397954995.db2.gz OTANJHVFPCRHRU-KBPBESRZSA-N 0 3 236.359 3.095 20 0 BGADHN Cc1nocc1CN1C[C@H](C(C)C)[C@@H]1C(C)C ZINC000449554639 397955102 /nfs/dbraw/zinc/95/51/02/397955102.db2.gz OTANJHVFPCRHRU-KGLIPLIRSA-N 0 3 236.359 3.095 20 0 BGADHN Cc1nocc1CN1C[C@@H](C(C)C)[C@H]1C(C)C ZINC000449554640 397955292 /nfs/dbraw/zinc/95/52/92/397955292.db2.gz OTANJHVFPCRHRU-UONOGXRCSA-N 0 3 236.359 3.095 20 0 BGADHN Cc1nocc1CN1C[C@H](C(C)C)[C@H]1C(C)C ZINC000449554641 397955228 /nfs/dbraw/zinc/95/52/28/397955228.db2.gz OTANJHVFPCRHRU-ZIAGYGMSSA-N 0 3 236.359 3.095 20 0 BGADHN Cc1ccoc1CNCCc1cc(C)ccc1F ZINC000449556019 397955808 /nfs/dbraw/zinc/95/58/08/397955808.db2.gz SFGCMHNTBOGTTD-UHFFFAOYSA-N 0 3 247.313 3.368 20 0 BGADHN CC(C)[C@@H]1C[C@H]1CNCc1ccc(Cl)o1 ZINC000449556070 397956479 /nfs/dbraw/zinc/95/64/79/397956479.db2.gz SIVODGUDZYQHLK-ONGXEEELSA-N 0 3 227.735 3.315 20 0 BGADHN CC(C)CN1CC(c2ccc(Cl)cc2)C1 ZINC000449556781 397956804 /nfs/dbraw/zinc/95/68/04/397956804.db2.gz OPWOZAHHWHAZHY-UHFFFAOYSA-N 0 3 223.747 3.395 20 0 BGADHN CC(C)[C@@H]1[C@@H](C(C)C)CN1Cc1cncs1 ZINC000449557314 388231722 /nfs/dbraw/zinc/23/17/22/388231722.db2.gz UOVFBYAHYLNPLE-CHWSQXEVSA-N 0 3 238.400 3.256 20 0 BGADHN CC(C)[C@H]1CN(Cc2cncs2)[C@H]1C(C)C ZINC000449557315 388231651 /nfs/dbraw/zinc/23/16/51/388231651.db2.gz UOVFBYAHYLNPLE-OLZOCXBDSA-N 0 3 238.400 3.256 20 0 BGADHN CC(C)[C@@H]1CN(Cc2cncs2)[C@@H]1C(C)C ZINC000449557316 388232125 /nfs/dbraw/zinc/23/21/25/388232125.db2.gz UOVFBYAHYLNPLE-QWHCGFSZSA-N 0 3 238.400 3.256 20 0 BGADHN CC(C)[C@@H]1CN(Cc2cncs2)[C@H]1C(C)C ZINC000449557317 388231683 /nfs/dbraw/zinc/23/16/83/388231683.db2.gz UOVFBYAHYLNPLE-STQMWFEESA-N 0 3 238.400 3.256 20 0 BGADHN CCc1cnc(CNC[C@@H]2C[C@H]2C(C)C)s1 ZINC000449557673 388232082 /nfs/dbraw/zinc/23/20/82/388232082.db2.gz WFDDTPAUJGMPIC-JQWIXIFHSA-N 0 3 238.400 3.087 20 0 BGADHN Cc1ccc(CNCCc2cc(C)ccc2F)o1 ZINC000449557899 388231885 /nfs/dbraw/zinc/23/18/85/388231885.db2.gz WKQLVVBCNIOHSA-UHFFFAOYSA-N 0 3 247.313 3.368 20 0 BGADHN CC(C)CN1CC(c2cccc(Cl)c2)C1 ZINC000449558100 384531901 /nfs/dbraw/zinc/53/19/01/384531901.db2.gz VQTLOCRGVFTAHV-UHFFFAOYSA-N 0 3 223.747 3.395 20 0 BGADHN CC(C)[C@@H]1C[C@H]1CN[C@H](C)c1ccccn1 ZINC000449558303 388232197 /nfs/dbraw/zinc/23/21/97/388232197.db2.gz WZNSTZGMRRBKFF-AGIUHOORSA-N 0 3 218.344 3.024 20 0 BGADHN CC(C)[C@@H]1C[C@H]1CN[C@@H](C)c1ccccn1 ZINC000449558304 388231779 /nfs/dbraw/zinc/23/17/79/388231779.db2.gz WZNSTZGMRRBKFF-AVGNSLFASA-N 0 3 218.344 3.024 20 0 BGADHN Cc1ccnc([C@H](C)NC[C@@H]2C[C@H]2C(C)C)c1 ZINC000449558366 388232060 /nfs/dbraw/zinc/23/20/60/388232060.db2.gz XGCFEKNTGCSNJI-IHRRRGAJSA-N 0 3 232.371 3.333 20 0 BGADHN Cc1ccnc([C@@H](C)NC[C@@H]2C[C@H]2C(C)C)c1 ZINC000449558367 388231925 /nfs/dbraw/zinc/23/19/25/388231925.db2.gz XGCFEKNTGCSNJI-RDBSUJKOSA-N 0 3 232.371 3.333 20 0 BGADHN Clc1ccc(C2CN(CC3CC3)C2)cc1 ZINC000449558385 388232246 /nfs/dbraw/zinc/23/22/46/388232246.db2.gz XPCBWLADYHQGKD-UHFFFAOYSA-N 0 3 221.731 3.149 20 0 BGADHN Cc1ccc(F)c(CCNCc2ccco2)c1 ZINC000449558781 388232113 /nfs/dbraw/zinc/23/21/13/388232113.db2.gz YKSIFKQDHYZPQB-UHFFFAOYSA-N 0 3 233.286 3.059 20 0 BGADHN CCn1nccc1CN1C[C@H](C(C)C)[C@@H]1C(C)C ZINC000449559570 388232000 /nfs/dbraw/zinc/23/20/00/388232000.db2.gz YMDRNGZABXDORD-CABCVRRESA-N 0 3 249.402 3.015 20 0 BGADHN CCn1nccc1CN1C[C@@H](C(C)C)[C@@H]1C(C)C ZINC000449559572 388231944 /nfs/dbraw/zinc/23/19/44/388231944.db2.gz YMDRNGZABXDORD-GJZGRUSLSA-N 0 3 249.402 3.015 20 0 BGADHN CCn1nccc1CN1C[C@H](C(C)C)[C@H]1C(C)C ZINC000449559576 388232132 /nfs/dbraw/zinc/23/21/32/388232132.db2.gz YMDRNGZABXDORD-HUUCEWRRSA-N 0 3 249.402 3.015 20 0 BGADHN CCn1nccc1CN1C[C@@H](C(C)C)[C@H]1C(C)C ZINC000449559578 388231590 /nfs/dbraw/zinc/23/15/90/388231590.db2.gz YMDRNGZABXDORD-LSDHHAIUSA-N 0 3 249.402 3.015 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@H]1CC(C)(C)C[C@H]1C ZINC000449560998 388232715 /nfs/dbraw/zinc/23/27/15/388232715.db2.gz AHJQZAIXYXTHDN-AGIUHOORSA-N 0 3 249.402 3.378 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@H]1CC(C)(C)C[C@@H]1C ZINC000449561000 388231770 /nfs/dbraw/zinc/23/17/70/388231770.db2.gz AHJQZAIXYXTHDN-AVGNSLFASA-N 0 3 249.402 3.378 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@@H]1CC(C)(C)C[C@H]1C ZINC000449561002 384537067 /nfs/dbraw/zinc/53/70/67/384537067.db2.gz AHJQZAIXYXTHDN-FRRDWIJNSA-N 0 3 249.402 3.378 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@@H]1CC(C)(C)C[C@@H]1C ZINC000449561007 384536700 /nfs/dbraw/zinc/53/67/00/384536700.db2.gz AHJQZAIXYXTHDN-RWMBFGLXSA-N 0 3 249.402 3.378 20 0 BGADHN CCn1ccnc1[C@@H](C)NCC1CCCCC1 ZINC000449561032 388232611 /nfs/dbraw/zinc/23/26/11/388232611.db2.gz AKGZVQPFNZQMLS-GFCCVEGCSA-N 0 3 235.375 3.134 20 0 BGADHN CCn1ccnc1[C@H](C)NCC1CCCCC1 ZINC000449561033 388232924 /nfs/dbraw/zinc/23/29/24/388232924.db2.gz AKGZVQPFNZQMLS-LBPRGKRZSA-N 0 3 235.375 3.134 20 0 BGADHN CCn1ccnc1[C@H](C)NC1C[C@@H](C)C[C@H](C)C1 ZINC000449561039 388233217 /nfs/dbraw/zinc/23/32/17/388233217.db2.gz ALCBATDNOCSGRS-AVGNSLFASA-N 0 3 249.402 3.378 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000449561040 388232571 /nfs/dbraw/zinc/23/25/71/388232571.db2.gz ALCBATDNOCSGRS-RFQIPJPRSA-N 0 3 249.402 3.378 20 0 BGADHN CCn1ccnc1[C@@H](C)N[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000449561042 388232802 /nfs/dbraw/zinc/23/28/02/388232802.db2.gz ALCBATDNOCSGRS-RQJABVFESA-N 0 3 249.402 3.378 20 0 BGADHN CCn1ccnc1[C@H](C)NC1C[C@H](C)C[C@@H](C)C1 ZINC000449561043 388232888 /nfs/dbraw/zinc/23/28/88/388232888.db2.gz ALCBATDNOCSGRS-UPJWGTAASA-N 0 3 249.402 3.378 20 0 BGADHN CCn1ccnc1[C@H](C)NCC1CCC(C)CC1 ZINC000449561076 201966890 /nfs/dbraw/zinc/96/68/90/201966890.db2.gz ANXYMDFNYNHRKZ-MOKVOYLWSA-N 0 3 249.402 3.380 20 0 BGADHN CCn1ccnc1[C@@H](C)NCC1CCC(C)CC1 ZINC000449561077 388233084 /nfs/dbraw/zinc/23/30/84/388233084.db2.gz ANXYMDFNYNHRKZ-ROKHWSDSSA-N 0 3 249.402 3.380 20 0 BGADHN CCn1ccnc1[C@@H](C)N[C@H](C)CCC(C)C ZINC000449561144 384536133 /nfs/dbraw/zinc/53/61/33/384536133.db2.gz AWOAYYRJPIFDTM-CHWSQXEVSA-N 0 3 237.391 3.378 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@H](C)CCC(C)C ZINC000449561145 384537958 /nfs/dbraw/zinc/53/79/58/384537958.db2.gz AWOAYYRJPIFDTM-OLZOCXBDSA-N 0 3 237.391 3.378 20 0 BGADHN CCn1ccnc1[C@@H](C)N[C@@H](C)CCC(C)C ZINC000449561146 384537422 /nfs/dbraw/zinc/53/74/22/384537422.db2.gz AWOAYYRJPIFDTM-QWHCGFSZSA-N 0 3 237.391 3.378 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@@H](C)CCC(C)C ZINC000449561147 384537512 /nfs/dbraw/zinc/53/75/12/384537512.db2.gz AWOAYYRJPIFDTM-STQMWFEESA-N 0 3 237.391 3.378 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@H](C)C1CCCC1 ZINC000449561207 388233027 /nfs/dbraw/zinc/23/30/27/388233027.db2.gz BMMXQNKKFRVNQP-NEPJUHHUSA-N 0 3 235.375 3.132 20 0 BGADHN CCn1ccnc1[C@@H](C)N[C@@H](C)C1CCCC1 ZINC000449561208 388232952 /nfs/dbraw/zinc/23/29/52/388232952.db2.gz BMMXQNKKFRVNQP-NWDGAFQWSA-N 0 3 235.375 3.132 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@@H](C)C1CCCC1 ZINC000449561209 388233137 /nfs/dbraw/zinc/23/31/37/388233137.db2.gz BMMXQNKKFRVNQP-RYUDHWBXSA-N 0 3 235.375 3.132 20 0 BGADHN CCn1ccnc1[C@@H](C)N[C@H](C)C1CCCC1 ZINC000449561310 388232993 /nfs/dbraw/zinc/23/29/93/388232993.db2.gz BMMXQNKKFRVNQP-VXGBXAGGSA-N 0 3 235.375 3.132 20 0 BGADHN CCn1ccnc1[C@H](C)NC[C@H]1CCCC[C@H]1C ZINC000449561524 388232837 /nfs/dbraw/zinc/23/28/37/388232837.db2.gz CRPCFLPCNKGVJL-HZSPNIEDSA-N 0 3 249.402 3.380 20 0 BGADHN CCn1ccnc1[C@H](C)NC[C@@H]1CCCC[C@@H]1C ZINC000449561525 388233101 /nfs/dbraw/zinc/23/31/01/388233101.db2.gz CRPCFLPCNKGVJL-IHRRRGAJSA-N 0 3 249.402 3.380 20 0 BGADHN CCn1ccnc1[C@H](C)NC[C@H]1CCCC[C@@H]1C ZINC000449561526 388233251 /nfs/dbraw/zinc/23/32/51/388233251.db2.gz CRPCFLPCNKGVJL-MELADBBJSA-N 0 3 249.402 3.380 20 0 BGADHN CCn1ccnc1[C@H](C)NC[C@@H]1CCCC[C@H]1C ZINC000449561527 388232617 /nfs/dbraw/zinc/23/26/17/388232617.db2.gz CRPCFLPCNKGVJL-RDBSUJKOSA-N 0 3 249.402 3.380 20 0 BGADHN CCn1ccnc1[C@H](C)NC1CCC(C)CC1 ZINC000449561756 388232594 /nfs/dbraw/zinc/23/25/94/388232594.db2.gz DVXWFKLJYXEADZ-CPCZMJQVSA-N 0 3 235.375 3.132 20 0 BGADHN CCn1ccnc1[C@@H](C)NC1CCC(C)CC1 ZINC000449561757 388232512 /nfs/dbraw/zinc/23/25/12/388232512.db2.gz DVXWFKLJYXEADZ-OTTFEQOBSA-N 0 3 235.375 3.132 20 0 BGADHN CCC[C@H](CC)N[C@H](C)c1nccn1CC ZINC000449561935 388232675 /nfs/dbraw/zinc/23/26/75/388232675.db2.gz FOOCDFDADLWQOA-NEPJUHHUSA-N 0 3 223.364 3.132 20 0 BGADHN CCC[C@@H](CC)N[C@@H](C)c1nccn1CC ZINC000449561936 388232605 /nfs/dbraw/zinc/23/26/05/388232605.db2.gz FOOCDFDADLWQOA-NWDGAFQWSA-N 0 3 223.364 3.132 20 0 BGADHN CCC[C@H](CC)N[C@@H](C)c1nccn1CC ZINC000449561937 388232746 /nfs/dbraw/zinc/23/27/46/388232746.db2.gz FOOCDFDADLWQOA-RYUDHWBXSA-N 0 3 223.364 3.132 20 0 BGADHN CCC[C@@H](CC)N[C@H](C)c1nccn1CC ZINC000449561938 388233204 /nfs/dbraw/zinc/23/32/04/388233204.db2.gz FOOCDFDADLWQOA-VXGBXAGGSA-N 0 3 223.364 3.132 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@H]1CCC[C@@H](C)C1 ZINC000449561988 388232956 /nfs/dbraw/zinc/23/29/56/388232956.db2.gz GIWGELNRBYYHEG-AGIUHOORSA-N 0 3 235.375 3.132 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@H]1CCC[C@H](C)C1 ZINC000449561989 388233103 /nfs/dbraw/zinc/23/31/03/388233103.db2.gz GIWGELNRBYYHEG-AVGNSLFASA-N 0 3 235.375 3.132 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@@H]1CCC[C@@H](C)C1 ZINC000449561990 388233022 /nfs/dbraw/zinc/23/30/22/388233022.db2.gz GIWGELNRBYYHEG-FRRDWIJNSA-N 0 3 235.375 3.132 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@@H]1CCC[C@H](C)C1 ZINC000449561991 201966969 /nfs/dbraw/zinc/96/69/69/201966969.db2.gz GIWGELNRBYYHEG-RWMBFGLXSA-N 0 3 235.375 3.132 20 0 BGADHN CCn1ccnc1[C@@H](C)N[C@H]1CCCC1(C)C ZINC000449562272 517885367 /nfs/dbraw/zinc/88/53/67/517885367.db2.gz IQXRANTVPUUHBM-NEPJUHHUSA-N 0 3 235.375 3.132 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@@H]1CCCC1(C)C ZINC000449562273 388232885 /nfs/dbraw/zinc/23/28/85/388232885.db2.gz IQXRANTVPUUHBM-NWDGAFQWSA-N 0 3 235.375 3.132 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@H]1CCCC1(C)C ZINC000449562274 388233165 /nfs/dbraw/zinc/23/31/65/388233165.db2.gz IQXRANTVPUUHBM-RYUDHWBXSA-N 0 3 235.375 3.132 20 0 BGADHN CCn1ccnc1[C@@H](C)N[C@@H]1CCCC1(C)C ZINC000449562275 388232770 /nfs/dbraw/zinc/23/27/70/388232770.db2.gz IQXRANTVPUUHBM-VXGBXAGGSA-N 0 3 235.375 3.132 20 0 BGADHN CCn1ccnc1[C@H](C)NC[C@@H]1CCC[C@@H](C)C1 ZINC000449562363 388233054 /nfs/dbraw/zinc/23/30/54/388233054.db2.gz JSFZBXJARXYXPX-HZSPNIEDSA-N 0 3 249.402 3.380 20 0 BGADHN CCn1ccnc1[C@H](C)NC[C@H]1CCC[C@H](C)C1 ZINC000449562364 388232810 /nfs/dbraw/zinc/23/28/10/388232810.db2.gz JSFZBXJARXYXPX-IHRRRGAJSA-N 0 3 249.402 3.380 20 0 BGADHN CCn1ccnc1[C@H](C)NC[C@@H]1CCC[C@H](C)C1 ZINC000449562365 388233185 /nfs/dbraw/zinc/23/31/85/388233185.db2.gz JSFZBXJARXYXPX-MELADBBJSA-N 0 3 249.402 3.380 20 0 BGADHN CCn1ccnc1[C@H](C)NC[C@H]1CCC[C@@H](C)C1 ZINC000449562366 388232862 /nfs/dbraw/zinc/23/28/62/388232862.db2.gz JSFZBXJARXYXPX-RDBSUJKOSA-N 0 3 249.402 3.380 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@@H]1CCC[C@@H]1C(C)C ZINC000449562438 388232914 /nfs/dbraw/zinc/23/29/14/388232914.db2.gz KRUAJCPYEUEMSI-BFHYXJOUSA-N 0 3 249.402 3.378 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@H]1CCC[C@H]1C(C)C ZINC000449562439 388233097 /nfs/dbraw/zinc/23/30/97/388233097.db2.gz KRUAJCPYEUEMSI-IHRRRGAJSA-N 0 3 249.402 3.378 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@@H]1CCC[C@H]1C(C)C ZINC000449562440 388232973 /nfs/dbraw/zinc/23/29/73/388232973.db2.gz KRUAJCPYEUEMSI-MELADBBJSA-N 0 3 249.402 3.378 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@H]1CCC[C@@H]1C(C)C ZINC000449562441 388233227 /nfs/dbraw/zinc/23/32/27/388233227.db2.gz KRUAJCPYEUEMSI-MJBXVCDLSA-N 0 3 249.402 3.378 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@@H]1CCC[C@H]1C1CC1 ZINC000449562634 388232687 /nfs/dbraw/zinc/23/26/87/388232687.db2.gz MQMNGATWKRRWPZ-FPMFFAJLSA-N 0 3 247.386 3.132 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@@H]1CCC[C@@H]1C1CC1 ZINC000449562635 388232773 /nfs/dbraw/zinc/23/27/73/388232773.db2.gz MQMNGATWKRRWPZ-IACUBPJLSA-N 0 3 247.386 3.132 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@H]1CCC[C@H]1C1CC1 ZINC000449562636 388232917 /nfs/dbraw/zinc/23/29/17/388232917.db2.gz MQMNGATWKRRWPZ-UBHSHLNASA-N 0 3 247.386 3.132 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@H]1CCC[C@@H]1C1CC1 ZINC000449562637 388233179 /nfs/dbraw/zinc/23/31/79/388233179.db2.gz MQMNGATWKRRWPZ-YUTCNCBUSA-N 0 3 247.386 3.132 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@H](C)CCC1CC1 ZINC000449562716 388232659 /nfs/dbraw/zinc/23/26/59/388232659.db2.gz NGQCMHHHZSHHST-NEPJUHHUSA-N 0 3 235.375 3.132 20 0 BGADHN CCn1ccnc1[C@@H](C)N[C@@H](C)CCC1CC1 ZINC000449562717 388232665 /nfs/dbraw/zinc/23/26/65/388232665.db2.gz NGQCMHHHZSHHST-NWDGAFQWSA-N 0 3 235.375 3.132 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@@H](C)CCC1CC1 ZINC000449562718 388232470 /nfs/dbraw/zinc/23/24/70/388232470.db2.gz NGQCMHHHZSHHST-RYUDHWBXSA-N 0 3 235.375 3.132 20 0 BGADHN CCn1ccnc1[C@@H](C)N[C@H](C)CCC1CC1 ZINC000449562719 388232492 /nfs/dbraw/zinc/23/24/92/388232492.db2.gz NGQCMHHHZSHHST-VXGBXAGGSA-N 0 3 235.375 3.132 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@H]1CCCC[C@H]1C ZINC000449562864 388233113 /nfs/dbraw/zinc/23/31/13/388233113.db2.gz OTHIJAPKVDEYIA-AGIUHOORSA-N 0 3 235.375 3.132 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@H]1CCCC[C@@H]1C ZINC000449562865 201970025 /nfs/dbraw/zinc/97/00/25/201970025.db2.gz OTHIJAPKVDEYIA-AVGNSLFASA-N 0 3 235.375 3.132 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@@H]1CCCC[C@H]1C ZINC000449562866 388232873 /nfs/dbraw/zinc/23/28/73/388232873.db2.gz OTHIJAPKVDEYIA-FRRDWIJNSA-N 0 3 235.375 3.132 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@@H]1CCCC[C@@H]1C ZINC000449562867 388232698 /nfs/dbraw/zinc/23/26/98/388232698.db2.gz OTHIJAPKVDEYIA-RWMBFGLXSA-N 0 3 235.375 3.132 20 0 BGADHN CCn1ccnc1[C@@H](C)NC1CCCCCC1 ZINC000449562991 384537201 /nfs/dbraw/zinc/53/72/01/384537201.db2.gz PWGDRSKMGANOHZ-GFCCVEGCSA-N 0 3 235.375 3.276 20 0 BGADHN CCn1ccnc1[C@H](C)NC1CCCCCC1 ZINC000449562992 384535582 /nfs/dbraw/zinc/53/55/82/384535582.db2.gz PWGDRSKMGANOHZ-LBPRGKRZSA-N 0 3 235.375 3.276 20 0 BGADHN CCn1ccnc1[C@@H](C)NC1CCC2(CC2)CC1 ZINC000449563223 388233905 /nfs/dbraw/zinc/23/39/05/388233905.db2.gz SUNQYQVURNTYII-GFCCVEGCSA-N 0 3 247.386 3.276 20 0 BGADHN CCn1ccnc1[C@H](C)NC1CCC2(CC2)CC1 ZINC000449563224 388234009 /nfs/dbraw/zinc/23/40/09/388234009.db2.gz SUNQYQVURNTYII-LBPRGKRZSA-N 0 3 247.386 3.276 20 0 BGADHN CCn1ccnc1[C@@H](C)N[C@H]1CCC(C)(C)C1 ZINC000449563421 388233916 /nfs/dbraw/zinc/23/39/16/388233916.db2.gz UXRNJWOJZJMCQJ-NEPJUHHUSA-N 0 3 235.375 3.132 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@@H]1CCC(C)(C)C1 ZINC000449563422 388233895 /nfs/dbraw/zinc/23/38/95/388233895.db2.gz UXRNJWOJZJMCQJ-NWDGAFQWSA-N 0 3 235.375 3.132 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@H]1CCC(C)(C)C1 ZINC000449563423 388233642 /nfs/dbraw/zinc/23/36/42/388233642.db2.gz UXRNJWOJZJMCQJ-RYUDHWBXSA-N 0 3 235.375 3.132 20 0 BGADHN CCn1ccnc1[C@@H](C)N[C@@H]1CCC(C)(C)C1 ZINC000449563424 388233637 /nfs/dbraw/zinc/23/36/37/388233637.db2.gz UXRNJWOJZJMCQJ-VXGBXAGGSA-N 0 3 235.375 3.132 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@@H]1CC[C@H](C)C[C@H]1C ZINC000449563452 388233799 /nfs/dbraw/zinc/23/37/99/388233799.db2.gz VHFLZCKKWYNNSQ-RFQIPJPRSA-N 0 3 249.402 3.378 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@@H]1CC[C@H](C)C[C@@H]1C ZINC000449563453 388234024 /nfs/dbraw/zinc/23/40/24/388234024.db2.gz VHFLZCKKWYNNSQ-XDQVBPFNSA-N 0 3 249.402 3.378 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@@H]1CC[C@@H](C)C[C@H]1C ZINC000449563454 388233729 /nfs/dbraw/zinc/23/37/29/388233729.db2.gz VHFLZCKKWYNNSQ-YIYPIFLZSA-N 0 3 249.402 3.378 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000449563455 388233851 /nfs/dbraw/zinc/23/38/51/388233851.db2.gz VHFLZCKKWYNNSQ-ZOBORPQBSA-N 0 3 249.402 3.378 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000449563517 388234230 /nfs/dbraw/zinc/23/42/30/388234230.db2.gz VWGQEBJIMDCZTG-RFQIPJPRSA-N 0 3 249.402 3.378 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000449563518 388233688 /nfs/dbraw/zinc/23/36/88/388233688.db2.gz VWGQEBJIMDCZTG-XDQVBPFNSA-N 0 3 249.402 3.378 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000449563519 388233964 /nfs/dbraw/zinc/23/39/64/388233964.db2.gz VWGQEBJIMDCZTG-YIYPIFLZSA-N 0 3 249.402 3.378 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000449563520 201969360 /nfs/dbraw/zinc/96/93/60/201969360.db2.gz VWGQEBJIMDCZTG-ZOBORPQBSA-N 0 3 249.402 3.378 20 0 BGADHN CCCC[C@@H](C)N[C@@H](C)c1nccn1CC ZINC000449563787 388233847 /nfs/dbraw/zinc/23/38/47/388233847.db2.gz YKJXRICHBKDXJC-NEPJUHHUSA-N 0 3 223.364 3.132 20 0 BGADHN CCCC[C@H](C)N[C@H](C)c1nccn1CC ZINC000449563788 388233605 /nfs/dbraw/zinc/23/36/05/388233605.db2.gz YKJXRICHBKDXJC-NWDGAFQWSA-N 0 3 223.364 3.132 20 0 BGADHN CCCC[C@H](C)N[C@@H](C)c1nccn1CC ZINC000449563789 388234135 /nfs/dbraw/zinc/23/41/35/388234135.db2.gz YKJXRICHBKDXJC-RYUDHWBXSA-N 0 3 223.364 3.132 20 0 BGADHN CCCC[C@@H](C)N[C@H](C)c1nccn1CC ZINC000449563790 388234061 /nfs/dbraw/zinc/23/40/61/388234061.db2.gz YKJXRICHBKDXJC-VXGBXAGGSA-N 0 3 223.364 3.132 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000449563796 388233720 /nfs/dbraw/zinc/23/37/20/388233720.db2.gz YMEGQVJPOLLFCJ-RFQIPJPRSA-N 0 3 249.402 3.378 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000449563797 388233559 /nfs/dbraw/zinc/23/35/59/388233559.db2.gz YMEGQVJPOLLFCJ-XDQVBPFNSA-N 0 3 249.402 3.378 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000449563798 384537019 /nfs/dbraw/zinc/53/70/19/384537019.db2.gz YMEGQVJPOLLFCJ-YIYPIFLZSA-N 0 3 249.402 3.378 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000449563799 384539361 /nfs/dbraw/zinc/53/93/61/384539361.db2.gz YMEGQVJPOLLFCJ-ZOBORPQBSA-N 0 3 249.402 3.378 20 0 BGADHN Fc1ccc(CC2(NCc3ccco3)CC2)cc1 ZINC000449564472 388233553 /nfs/dbraw/zinc/23/35/53/388233553.db2.gz DVCPPIIKFMQSDC-UHFFFAOYSA-N 0 3 245.297 3.284 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@@H]1C[C@@H](C)CC[C@H]1C ZINC000449564615 388234299 /nfs/dbraw/zinc/23/42/99/388234299.db2.gz CAYHEEASCVOBPH-RFQIPJPRSA-N 0 3 249.402 3.378 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@@H]1C[C@@H](C)CC[C@@H]1C ZINC000449564616 388233680 /nfs/dbraw/zinc/23/36/80/388233680.db2.gz CAYHEEASCVOBPH-XDQVBPFNSA-N 0 3 249.402 3.378 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@@H]1C[C@H](C)CC[C@H]1C ZINC000449564617 388233911 /nfs/dbraw/zinc/23/39/11/388233911.db2.gz CAYHEEASCVOBPH-YIYPIFLZSA-N 0 3 249.402 3.378 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@@H]1C[C@H](C)CC[C@@H]1C ZINC000449564618 388233663 /nfs/dbraw/zinc/23/36/63/388233663.db2.gz CAYHEEASCVOBPH-ZOBORPQBSA-N 0 3 249.402 3.378 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@H](C)CC(C)(C)C ZINC000449564932 388233525 /nfs/dbraw/zinc/23/35/25/388233525.db2.gz FHNLOIKYSSPXRY-NEPJUHHUSA-N 0 3 237.391 3.378 20 0 BGADHN CCn1ccnc1[C@@H](C)N[C@@H](C)CC(C)(C)C ZINC000449564933 388233703 /nfs/dbraw/zinc/23/37/03/388233703.db2.gz FHNLOIKYSSPXRY-NWDGAFQWSA-N 0 3 237.391 3.378 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@@H](C)CC(C)(C)C ZINC000449564936 388233990 /nfs/dbraw/zinc/23/39/90/388233990.db2.gz FHNLOIKYSSPXRY-RYUDHWBXSA-N 0 3 237.391 3.378 20 0 BGADHN CCn1ccnc1[C@@H](C)N[C@H](C)CC(C)(C)C ZINC000449564937 388234012 /nfs/dbraw/zinc/23/40/12/388234012.db2.gz FHNLOIKYSSPXRY-VXGBXAGGSA-N 0 3 237.391 3.378 20 0 BGADHN CCn1ccnc1[C@@H](C)N[C@@H]1CCCC12CCC2 ZINC000449565265 388233987 /nfs/dbraw/zinc/23/39/87/388233987.db2.gz HGPCLBVPXDUGMO-CHWSQXEVSA-N 0 3 247.386 3.276 20 0 BGADHN CCn1ccnc1[C@@H](C)N[C@H]1CCCC12CCC2 ZINC000449565266 201970782 /nfs/dbraw/zinc/97/07/82/201970782.db2.gz HGPCLBVPXDUGMO-OLZOCXBDSA-N 0 3 247.386 3.276 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@@H]1CCCC12CCC2 ZINC000449565267 201969913 /nfs/dbraw/zinc/96/99/13/201969913.db2.gz HGPCLBVPXDUGMO-QWHCGFSZSA-N 0 3 247.386 3.276 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@H]1CCCC12CCC2 ZINC000449565268 388234307 /nfs/dbraw/zinc/23/43/07/388234307.db2.gz HGPCLBVPXDUGMO-STQMWFEESA-N 0 3 247.386 3.276 20 0 BGADHN CC[C@H](N[C@@H](C)c1nccn1CC)C1CCC1 ZINC000449565835 388233942 /nfs/dbraw/zinc/23/39/42/388233942.db2.gz LGIHBWPAZFQARB-AAEUAGOBSA-N 0 3 235.375 3.132 20 0 BGADHN CC[C@@H](N[C@H](C)c1nccn1CC)C1CCC1 ZINC000449565836 388233711 /nfs/dbraw/zinc/23/37/11/388233711.db2.gz LGIHBWPAZFQARB-DGCLKSJQSA-N 0 3 235.375 3.132 20 0 BGADHN CC[C@@H](N[C@@H](C)c1nccn1CC)C1CCC1 ZINC000449565837 201969820 /nfs/dbraw/zinc/96/98/20/201969820.db2.gz LGIHBWPAZFQARB-WCQYABFASA-N 0 3 235.375 3.132 20 0 BGADHN CC[C@H](N[C@H](C)c1nccn1CC)C1CCC1 ZINC000449565839 201970115 /nfs/dbraw/zinc/97/01/15/201970115.db2.gz LGIHBWPAZFQARB-YPMHNXCESA-N 0 3 235.375 3.132 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@@H]1CC[C@H]1C1CCC1 ZINC000449566053 388233793 /nfs/dbraw/zinc/23/37/93/388233793.db2.gz MULBEBJJYQUFSL-FPMFFAJLSA-N 0 3 247.386 3.132 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@@H]1CC[C@@H]1C1CCC1 ZINC000449566054 388234218 /nfs/dbraw/zinc/23/42/18/388234218.db2.gz MULBEBJJYQUFSL-IACUBPJLSA-N 0 3 247.386 3.132 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@H]1CC[C@H]1C1CCC1 ZINC000449566055 388233530 /nfs/dbraw/zinc/23/35/30/388233530.db2.gz MULBEBJJYQUFSL-UBHSHLNASA-N 0 3 247.386 3.132 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@H]1CC[C@@H]1C1CCC1 ZINC000449566056 388235261 /nfs/dbraw/zinc/23/52/61/388235261.db2.gz MULBEBJJYQUFSL-YUTCNCBUSA-N 0 3 247.386 3.132 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@@H]1CCC[C@@H]2C[C@@]21C ZINC000449566229 388234737 /nfs/dbraw/zinc/23/47/37/388234737.db2.gz NNMSDNUIKOKRJI-JLNYLFASSA-N 0 3 247.386 3.132 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@@H]1CCC[C@H]2C[C@]21C ZINC000449566231 388235217 /nfs/dbraw/zinc/23/52/17/388235217.db2.gz NNMSDNUIKOKRJI-RMRHIDDWSA-N 0 3 247.386 3.132 20 0 BGADHN CCn1ccnc1[C@@H](C)NC[C@H](C)CC(C)C ZINC000449567671 388235169 /nfs/dbraw/zinc/23/51/69/388235169.db2.gz XKFJNCSBESWXSV-CHWSQXEVSA-N 0 3 237.391 3.236 20 0 BGADHN CCn1ccnc1[C@H](C)NC[C@H](C)CC(C)C ZINC000449567672 388234774 /nfs/dbraw/zinc/23/47/74/388234774.db2.gz XKFJNCSBESWXSV-OLZOCXBDSA-N 0 3 237.391 3.236 20 0 BGADHN CCn1ccnc1[C@@H](C)NC[C@@H](C)CC(C)C ZINC000449567673 201973793 /nfs/dbraw/zinc/97/37/93/201973793.db2.gz XKFJNCSBESWXSV-QWHCGFSZSA-N 0 3 237.391 3.236 20 0 BGADHN CCn1ccnc1[C@H](C)NC[C@@H](C)CC(C)C ZINC000449567674 388235195 /nfs/dbraw/zinc/23/51/95/388235195.db2.gz XKFJNCSBESWXSV-STQMWFEESA-N 0 3 237.391 3.236 20 0 BGADHN C[C@H](CC1CCCC1)N[C@H]1C[C@@H](C)n2ccnc21 ZINC000449568279 201972828 /nfs/dbraw/zinc/97/28/28/201972828.db2.gz AQAAEZXOKMNNHR-BZPMIXESSA-N 0 3 247.386 3.447 20 0 BGADHN C[C@H](CC1CCCC1)N[C@H]1C[C@H](C)n2ccnc21 ZINC000449568280 388235358 /nfs/dbraw/zinc/23/53/58/388235358.db2.gz AQAAEZXOKMNNHR-DYEKYZERSA-N 0 3 247.386 3.447 20 0 BGADHN C[C@H](CC1CCCC1)N[C@@H]1C[C@H](C)n2ccnc21 ZINC000449568281 388235286 /nfs/dbraw/zinc/23/52/86/388235286.db2.gz AQAAEZXOKMNNHR-MBNYWOFBSA-N 0 3 247.386 3.447 20 0 BGADHN C[C@H](CC1CCCC1)N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000449568282 388235173 /nfs/dbraw/zinc/23/51/73/388235173.db2.gz AQAAEZXOKMNNHR-YRGRVCCFSA-N 0 3 247.386 3.447 20 0 BGADHN C[C@@H]1C[C@H](N[C@@H]2CC[C@H]2C2CCC2)c2nccn21 ZINC000449568540 388235349 /nfs/dbraw/zinc/23/53/49/388235349.db2.gz BLBPOKDLXDTLJT-CABNGKKXSA-N 0 3 245.370 3.057 20 0 BGADHN C[C@@H]1C[C@H](N[C@H]2CC[C@H]2C2CCC2)c2nccn21 ZINC000449568541 388234981 /nfs/dbraw/zinc/23/49/81/388234981.db2.gz BLBPOKDLXDTLJT-SAXRGWBVSA-N 0 3 245.370 3.057 20 0 BGADHN C[C@@H]1C[C@H](N[C@@H]2CC[C@@H]2C2CCC2)c2nccn21 ZINC000449568542 388234852 /nfs/dbraw/zinc/23/48/52/388234852.db2.gz BLBPOKDLXDTLJT-ZRJCITRHSA-N 0 3 245.370 3.057 20 0 BGADHN C[C@@H]1C[C@H](N[C@H]2CC[C@@H]2C2CCC2)c2nccn21 ZINC000449568543 388234632 /nfs/dbraw/zinc/23/46/32/388234632.db2.gz BLBPOKDLXDTLJT-ZZVYKPCYSA-N 0 3 245.370 3.057 20 0 BGADHN CC(C)[C@@H]1CCC[C@@H]1N[C@H]1C[C@@H](C)n2ccnc21 ZINC000449569297 388234596 /nfs/dbraw/zinc/23/45/96/388234596.db2.gz GSDUWSGYYXGTNV-RFGFWPKPSA-N 0 3 247.386 3.303 20 0 BGADHN CC(C)[C@@H]1CCC[C@@H]1N[C@@H]1C[C@H](C)n2ccnc21 ZINC000449569299 388235033 /nfs/dbraw/zinc/23/50/33/388235033.db2.gz GSDUWSGYYXGTNV-XDQVBPFNSA-N 0 3 247.386 3.303 20 0 BGADHN CC(C)[C@@H]1CCC[C@@H]1N[C@H]1C[C@H](C)n2ccnc21 ZINC000449569300 398338262 /nfs/dbraw/zinc/33/82/62/398338262.db2.gz GSDUWSGYYXGTNV-XUXIUFHCSA-N 0 3 247.386 3.303 20 0 BGADHN CC(C)[C@@H]1CCC[C@@H]1N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000449569301 398338195 /nfs/dbraw/zinc/33/81/95/398338195.db2.gz GSDUWSGYYXGTNV-ZOBORPQBSA-N 0 3 247.386 3.303 20 0 BGADHN CCCC[C@H](CC)N[C@H]1C[C@@H](C)n2ccnc21 ZINC000449572009 388236042 /nfs/dbraw/zinc/23/60/42/388236042.db2.gz MLHBGZPFGXVIDS-AGIUHOORSA-N 0 3 235.375 3.447 20 0 BGADHN CCCC[C@H](CC)N[C@H]1C[C@H](C)n2ccnc21 ZINC000449572010 388235896 /nfs/dbraw/zinc/23/58/96/388235896.db2.gz MLHBGZPFGXVIDS-AVGNSLFASA-N 0 3 235.375 3.447 20 0 BGADHN CCCC[C@H](CC)N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000449572011 388235567 /nfs/dbraw/zinc/23/55/67/388235567.db2.gz MLHBGZPFGXVIDS-FRRDWIJNSA-N 0 3 235.375 3.447 20 0 BGADHN CCCC[C@H](CC)N[C@@H]1C[C@H](C)n2ccnc21 ZINC000449572012 384560804 /nfs/dbraw/zinc/56/08/04/384560804.db2.gz MLHBGZPFGXVIDS-RWMBFGLXSA-N 0 3 235.375 3.447 20 0 BGADHN C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]2C2CC2)c2nccn21 ZINC000449572305 388235844 /nfs/dbraw/zinc/23/58/44/388235844.db2.gz MTWWZNLPGAZYPW-CABNGKKXSA-N 0 3 245.370 3.057 20 0 BGADHN C[C@@H]1C[C@H](N[C@H]2CCC[C@H]2C2CC2)c2nccn21 ZINC000449572306 388235987 /nfs/dbraw/zinc/23/59/87/388235987.db2.gz MTWWZNLPGAZYPW-SAXRGWBVSA-N 0 3 245.370 3.057 20 0 BGADHN C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]2C2CC2)c2nccn21 ZINC000449572307 388235935 /nfs/dbraw/zinc/23/59/35/388235935.db2.gz MTWWZNLPGAZYPW-ZRJCITRHSA-N 0 3 245.370 3.057 20 0 BGADHN C[C@@H]1C[C@H](N[C@H]2CCC[C@@H]2C2CC2)c2nccn21 ZINC000449572308 388236388 /nfs/dbraw/zinc/23/63/88/388236388.db2.gz MTWWZNLPGAZYPW-ZZVYKPCYSA-N 0 3 245.370 3.057 20 0 BGADHN CC(C)C[C@H](C)CN[C@H]1C[C@H](C)n2ccnc21 ZINC000449572639 388235954 /nfs/dbraw/zinc/23/59/54/388235954.db2.gz NQFAUOZTROQDQJ-AVGNSLFASA-N 0 3 235.375 3.161 20 0 BGADHN CC(C)C[C@H](C)CN[C@@H]1C[C@H](C)n2ccnc21 ZINC000449572640 201972458 /nfs/dbraw/zinc/97/24/58/201972458.db2.gz NQFAUOZTROQDQJ-RWMBFGLXSA-N 0 3 235.375 3.161 20 0 BGADHN CC(C)C[C@H](C)CN[C@H]1C[C@@H](C)n2ccnc21 ZINC000449572641 388236278 /nfs/dbraw/zinc/23/62/78/388236278.db2.gz NQFAUOZTROQDQJ-XQQFMLRXSA-N 0 3 235.375 3.161 20 0 BGADHN CC(C)C[C@H](C)CN[C@@H]1C[C@@H](C)n2ccnc21 ZINC000449572642 388235973 /nfs/dbraw/zinc/23/59/73/388235973.db2.gz NQFAUOZTROQDQJ-YNEHKIRRSA-N 0 3 235.375 3.161 20 0 BGADHN C[C@@H]1C[C@H](N[C@H]2CCCC23CCC3)c2nccn21 ZINC000449572896 388236082 /nfs/dbraw/zinc/23/60/82/388236082.db2.gz OUTHEGCHGVPLRR-AGIUHOORSA-N 0 3 245.370 3.201 20 0 BGADHN C[C@@H]1C[C@H](N[C@@H]2CCCC23CCC3)c2nccn21 ZINC000449572897 388235733 /nfs/dbraw/zinc/23/57/33/388235733.db2.gz OUTHEGCHGVPLRR-FRRDWIJNSA-N 0 3 245.370 3.201 20 0 BGADHN C[C@@H]1C[C@@H](N[C@@H]2CCCC23CCC3)c2nccn21 ZINC000449572898 388235849 /nfs/dbraw/zinc/23/58/49/388235849.db2.gz OUTHEGCHGVPLRR-JHJVBQTASA-N 0 3 245.370 3.201 20 0 BGADHN C[C@@H]1C[C@@H](N[C@H]2CCCC23CCC3)c2nccn21 ZINC000449572899 388235871 /nfs/dbraw/zinc/23/58/71/388235871.db2.gz OUTHEGCHGVPLRR-UPJWGTAASA-N 0 3 245.370 3.201 20 0 BGADHN C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]3C[C@]32C)c2nccn21 ZINC000449573028 384569334 /nfs/dbraw/zinc/56/93/34/384569334.db2.gz PCDHMXCCMLNPIK-NLRWUALESA-N 0 3 245.370 3.057 20 0 BGADHN C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]3C[C@@]32C)c2nccn21 ZINC000449573029 384569772 /nfs/dbraw/zinc/56/97/72/384569772.db2.gz PCDHMXCCMLNPIK-VVSAWPALSA-N 0 3 245.370 3.057 20 0 BGADHN C[C@@H]1CC(C)(C)C[C@@H]1N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000449573242 388235760 /nfs/dbraw/zinc/23/57/60/388235760.db2.gz QBAOPHOHAKCKTJ-LPWJVIDDSA-N 0 3 247.386 3.303 20 0 BGADHN C[C@@H]1CC(C)(C)C[C@@H]1N[C@H]1C[C@@H](C)n2ccnc21 ZINC000449573243 388236393 /nfs/dbraw/zinc/23/63/93/388236393.db2.gz QBAOPHOHAKCKTJ-NDBYEHHHSA-N 0 3 247.386 3.303 20 0 BGADHN C[C@@H]1CC(C)(C)C[C@@H]1N[C@H]1C[C@H](C)n2ccnc21 ZINC000449573244 388236384 /nfs/dbraw/zinc/23/63/84/388236384.db2.gz QBAOPHOHAKCKTJ-VOAKCMCISA-N 0 3 247.386 3.303 20 0 BGADHN C[C@@H]1CC(C)(C)C[C@@H]1N[C@@H]1C[C@H](C)n2ccnc21 ZINC000449573245 388236262 /nfs/dbraw/zinc/23/62/62/388236262.db2.gz QBAOPHOHAKCKTJ-XQHKEYJVSA-N 0 3 247.386 3.303 20 0 BGADHN CCCC(CCC)N[C@H]1C[C@H](C)n2ccnc21 ZINC000449573471 388236378 /nfs/dbraw/zinc/23/63/78/388236378.db2.gz RAYQQTBIOIZOPN-AAEUAGOBSA-N 0 3 235.375 3.447 20 0 BGADHN CCCC(CCC)N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000449573472 388236371 /nfs/dbraw/zinc/23/63/71/388236371.db2.gz RAYQQTBIOIZOPN-DGCLKSJQSA-N 0 3 235.375 3.447 20 0 BGADHN CCCC(CCC)N[C@@H]1C[C@H](C)n2ccnc21 ZINC000449573473 388235977 /nfs/dbraw/zinc/23/59/77/388235977.db2.gz RAYQQTBIOIZOPN-WCQYABFASA-N 0 3 235.375 3.447 20 0 BGADHN CCCC(CCC)N[C@H]1C[C@@H](C)n2ccnc21 ZINC000449573474 388235676 /nfs/dbraw/zinc/23/56/76/388235676.db2.gz RAYQQTBIOIZOPN-YPMHNXCESA-N 0 3 235.375 3.447 20 0 BGADHN C[C@H]1C[C@H](N[C@@H]2C[C@H](C)CC[C@@H]2C)c2nccn21 ZINC000449575477 388236951 /nfs/dbraw/zinc/23/69/51/388236951.db2.gz YHQOSFJOCNCZAU-HTOAHKCRSA-N 0 3 247.386 3.303 20 0 BGADHN C[C@@H]1C[C@H](N[C@@H]2C[C@H](C)CC[C@@H]2C)c2nccn21 ZINC000449575478 388236672 /nfs/dbraw/zinc/23/66/72/388236672.db2.gz YHQOSFJOCNCZAU-ITGHMWBKSA-N 0 3 247.386 3.303 20 0 BGADHN C[C@H]1C[C@@H](N[C@@H]2C[C@H](C)CC[C@@H]2C)c2nccn21 ZINC000449575481 388236934 /nfs/dbraw/zinc/23/69/34/388236934.db2.gz YHQOSFJOCNCZAU-MBJXGIAVSA-N 0 3 247.386 3.303 20 0 BGADHN C[C@@H]1C[C@@H](N[C@@H]2C[C@H](C)CC[C@@H]2C)c2nccn21 ZINC000449575483 388236889 /nfs/dbraw/zinc/23/68/89/388236889.db2.gz YHQOSFJOCNCZAU-XVIXHAIJSA-N 0 3 247.386 3.303 20 0 BGADHN CCc1ncc(CN[C@H](C)CCC(C)C)o1 ZINC000449607164 388241402 /nfs/dbraw/zinc/24/14/02/388241402.db2.gz AFGLLXGFCQJGPE-LLVKDONJSA-N 0 3 224.348 3.151 20 0 BGADHN CCc1ncc(CN[C@@H](C)CCC(C)C)o1 ZINC000449607165 388241875 /nfs/dbraw/zinc/24/18/75/388241875.db2.gz AFGLLXGFCQJGPE-NSHDSACASA-N 0 3 224.348 3.151 20 0 BGADHN CCc1ncc(CNC2CCC3(CC3)CC2)o1 ZINC000449607281 388241463 /nfs/dbraw/zinc/24/14/63/388241463.db2.gz AMTLJQVYMBSFPD-UHFFFAOYSA-N 0 3 234.343 3.049 20 0 BGADHN CCc1ncc(CN[C@H]2CCCC[C@H]2C2CC2)o1 ZINC000449607640 388241902 /nfs/dbraw/zinc/24/19/02/388241902.db2.gz BTKRRTOYFQEHKE-KBPBESRZSA-N 0 3 248.370 3.295 20 0 BGADHN CCc1ncc(CN[C@H]2CCCC[C@@H]2C2CC2)o1 ZINC000449607641 388241715 /nfs/dbraw/zinc/24/17/15/388241715.db2.gz BTKRRTOYFQEHKE-KGLIPLIRSA-N 0 3 248.370 3.295 20 0 BGADHN CCc1ncc(CN[C@@H]2CCCC[C@H]2C2CC2)o1 ZINC000449607642 388241828 /nfs/dbraw/zinc/24/18/28/388241828.db2.gz BTKRRTOYFQEHKE-UONOGXRCSA-N 0 3 248.370 3.295 20 0 BGADHN CCc1ncc(CN[C@@H]2CCCC[C@@H]2C2CC2)o1 ZINC000449607643 201982758 /nfs/dbraw/zinc/98/27/58/201982758.db2.gz BTKRRTOYFQEHKE-ZIAGYGMSSA-N 0 3 248.370 3.295 20 0 BGADHN CCc1ncc(CNC[C@@H]2CCCC[C@H]2C)o1 ZINC000449607996 388241138 /nfs/dbraw/zinc/24/11/38/388241138.db2.gz CYWVKKUHLPFHPA-NEPJUHHUSA-N 0 3 236.359 3.153 20 0 BGADHN CCc1ncc(CNC[C@H]2CCCC[C@@H]2C)o1 ZINC000449607997 388241582 /nfs/dbraw/zinc/24/15/82/388241582.db2.gz CYWVKKUHLPFHPA-NWDGAFQWSA-N 0 3 236.359 3.153 20 0 BGADHN CCc1ncc(CNC[C@@H]2CCCC[C@@H]2C)o1 ZINC000449607998 388241081 /nfs/dbraw/zinc/24/10/81/388241081.db2.gz CYWVKKUHLPFHPA-RYUDHWBXSA-N 0 3 236.359 3.153 20 0 BGADHN CCc1ncc(CNC[C@H]2CCCC[C@H]2C)o1 ZINC000449607999 388241921 /nfs/dbraw/zinc/24/19/21/388241921.db2.gz CYWVKKUHLPFHPA-VXGBXAGGSA-N 0 3 236.359 3.153 20 0 BGADHN CCc1ncc(CNCC(C(C)C)C(C)C)o1 ZINC000449608075 388241121 /nfs/dbraw/zinc/24/11/21/388241121.db2.gz DVFLFXXQUAMWJQ-UHFFFAOYSA-N 0 3 238.375 3.255 20 0 BGADHN CCc1ncc(CN[C@@H]2C[C@@H](C)CC[C@H]2C)o1 ZINC000449608408 388241155 /nfs/dbraw/zinc/24/11/55/388241155.db2.gz HNVLSXLGXSVNTH-DMDPSCGWSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1ncc(CN[C@@H]2C[C@@H](C)CC[C@@H]2C)o1 ZINC000449608409 388241511 /nfs/dbraw/zinc/24/15/11/388241511.db2.gz HNVLSXLGXSVNTH-GMXVVIOVSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1ncc(CN[C@@H]2C[C@H](C)CC[C@H]2C)o1 ZINC000449608410 388241690 /nfs/dbraw/zinc/24/16/90/388241690.db2.gz HNVLSXLGXSVNTH-NQBHXWOUSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1ncc(CN[C@@H]2C[C@H](C)CC[C@@H]2C)o1 ZINC000449608411 388241198 /nfs/dbraw/zinc/24/11/98/388241198.db2.gz HNVLSXLGXSVNTH-NTZNESFSSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1ncc(CN[C@@H]2CCCC23CCCC3)o1 ZINC000449608453 388241144 /nfs/dbraw/zinc/24/11/44/388241144.db2.gz HWUWRVYIBMRPCX-CYBMUJFWSA-N 0 3 248.370 3.440 20 0 BGADHN CCc1ncc(CN[C@H]2CCCC23CCCC3)o1 ZINC000449608454 388241720 /nfs/dbraw/zinc/24/17/20/388241720.db2.gz HWUWRVYIBMRPCX-ZDUSSCGKSA-N 0 3 248.370 3.440 20 0 BGADHN CCc1ncc(CNC[C@@H]2CC(C)=C[C@H](C)C2)o1 ZINC000449608535 388241543 /nfs/dbraw/zinc/24/15/43/388241543.db2.gz IHHCFXWZODHJNZ-AAEUAGOBSA-N 0 3 248.370 3.319 20 0 BGADHN CCc1ncc(CNC[C@H]2CC(C)=C[C@@H](C)C2)o1 ZINC000449608536 388241787 /nfs/dbraw/zinc/24/17/87/388241787.db2.gz IHHCFXWZODHJNZ-DGCLKSJQSA-N 0 3 248.370 3.319 20 0 BGADHN CCc1ncc(CNC[C@H]2CC(C)=C[C@H](C)C2)o1 ZINC000449608537 388241103 /nfs/dbraw/zinc/24/11/03/388241103.db2.gz IHHCFXWZODHJNZ-WCQYABFASA-N 0 3 248.370 3.319 20 0 BGADHN CCc1ncc(CNC[C@@H]2CC(C)=C[C@@H](C)C2)o1 ZINC000449608538 388241861 /nfs/dbraw/zinc/24/18/61/388241861.db2.gz IHHCFXWZODHJNZ-YPMHNXCESA-N 0 3 248.370 3.319 20 0 BGADHN CCc1ncc(CNC2CCC(C)(C)CC2)o1 ZINC000449608680 205494850 /nfs/dbraw/zinc/49/48/50/205494850.db2.gz JLCAMRFFXSULHW-UHFFFAOYSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1ncc(CN[C@@H]2CCC[C@@H](C3CC3)C2)o1 ZINC000449608727 388241250 /nfs/dbraw/zinc/24/12/50/388241250.db2.gz JTBIDQRAENRLCB-CHWSQXEVSA-N 0 3 248.370 3.295 20 0 BGADHN CCc1ncc(CN[C@H]2CCC[C@@H](C3CC3)C2)o1 ZINC000449608728 388241775 /nfs/dbraw/zinc/24/17/75/388241775.db2.gz JTBIDQRAENRLCB-OLZOCXBDSA-N 0 3 248.370 3.295 20 0 BGADHN CCc1ncc(CN[C@@H]2CCC[C@H](C3CC3)C2)o1 ZINC000449608729 388241321 /nfs/dbraw/zinc/24/13/21/388241321.db2.gz JTBIDQRAENRLCB-QWHCGFSZSA-N 0 3 248.370 3.295 20 0 BGADHN CCc1ncc(CN[C@H]2CCC[C@H](C3CC3)C2)o1 ZINC000449608730 388241240 /nfs/dbraw/zinc/24/12/40/388241240.db2.gz JTBIDQRAENRLCB-STQMWFEESA-N 0 3 248.370 3.295 20 0 BGADHN CCc1ncc(CNC[C@@H](C)c2ccccc2)o1 ZINC000449608737 388241418 /nfs/dbraw/zinc/24/14/18/388241418.db2.gz JUONMZFKVPJUMV-GFCCVEGCSA-N 0 3 244.338 3.130 20 0 BGADHN CCc1ncc(CNC[C@H](C)c2ccccc2)o1 ZINC000449608738 388241943 /nfs/dbraw/zinc/24/19/43/388241943.db2.gz JUONMZFKVPJUMV-LBPRGKRZSA-N 0 3 244.338 3.130 20 0 BGADHN CCc1ncc(CN[C@@H]2CCC[C@@H]2C(C)C)o1 ZINC000449608780 388241438 /nfs/dbraw/zinc/24/14/38/388241438.db2.gz KASQCPZRSYPGAS-CHWSQXEVSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1ncc(CN[C@H]2CCC[C@@H]2C(C)C)o1 ZINC000449608781 388241330 /nfs/dbraw/zinc/24/13/30/388241330.db2.gz KASQCPZRSYPGAS-OLZOCXBDSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1ncc(CN[C@@H]2CCC[C@H]2C(C)C)o1 ZINC000449608782 388241883 /nfs/dbraw/zinc/24/18/83/388241883.db2.gz KASQCPZRSYPGAS-QWHCGFSZSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1ncc(CN[C@H]2CCC[C@H]2C(C)C)o1 ZINC000449608783 388241378 /nfs/dbraw/zinc/24/13/78/388241378.db2.gz KASQCPZRSYPGAS-STQMWFEESA-N 0 3 236.359 3.151 20 0 BGADHN CCc1ncc(CN[C@@H]2CC[C@@H](C)[C@@H](C)C2)o1 ZINC000449608805 384709997 /nfs/dbraw/zinc/70/99/97/384709997.db2.gz KFXCEGZROYILEK-GRYCIOLGSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1ncc(CN[C@@H]2CC[C@@H](C)[C@H](C)C2)o1 ZINC000449608806 384711431 /nfs/dbraw/zinc/71/14/31/384711431.db2.gz KFXCEGZROYILEK-IJLUTSLNSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1ncc(CN[C@@H]2CC[C@H](C)[C@H](C)C2)o1 ZINC000449608807 384712713 /nfs/dbraw/zinc/71/27/13/384712713.db2.gz KFXCEGZROYILEK-QJPTWQEYSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1ncc(CN[C@@H]2CC[C@H](C)[C@@H](C)C2)o1 ZINC000449608808 384710319 /nfs/dbraw/zinc/71/03/19/384710319.db2.gz KFXCEGZROYILEK-SDDRHHMPSA-N 0 3 236.359 3.151 20 0 BGADHN CCCc1ncc(CN[C@@H]2CCC(C)(C)C2)o1 ZINC000449609025 388242351 /nfs/dbraw/zinc/24/23/51/388242351.db2.gz AFUGWJGDMBKHQC-LLVKDONJSA-N 0 3 236.359 3.295 20 0 BGADHN CCCc1ncc(CN[C@H]2CCC(C)(C)C2)o1 ZINC000449609026 388242210 /nfs/dbraw/zinc/24/22/10/388242210.db2.gz AFUGWJGDMBKHQC-NSHDSACASA-N 0 3 236.359 3.295 20 0 BGADHN CCCc1ncc(CN[C@H](CC)C2CCC2)o1 ZINC000449609183 388242758 /nfs/dbraw/zinc/24/27/58/388242758.db2.gz APAXTTPOBYLJCW-CYBMUJFWSA-N 0 3 236.359 3.295 20 0 BGADHN CCCc1ncc(CN[C@@H](CC)C2CCC2)o1 ZINC000449609184 388242305 /nfs/dbraw/zinc/24/23/05/388242305.db2.gz APAXTTPOBYLJCW-ZDUSSCGKSA-N 0 3 236.359 3.295 20 0 BGADHN CCCc1ncc(CNCCC(C)(C)C)o1 ZINC000449609227 388242498 /nfs/dbraw/zinc/24/24/98/388242498.db2.gz AXXAKGHEILMKGE-UHFFFAOYSA-N 0 3 224.348 3.153 20 0 BGADHN CCCC[C@@H](CC)NCc1cnc(CC)o1 ZINC000449609374 388242526 /nfs/dbraw/zinc/24/25/26/388242526.db2.gz NIEWZKUPNSBTDA-LLVKDONJSA-N 0 3 224.348 3.295 20 0 BGADHN CCCC[C@H](CC)NCc1cnc(CC)o1 ZINC000449609375 388242692 /nfs/dbraw/zinc/24/26/92/388242692.db2.gz NIEWZKUPNSBTDA-NSHDSACASA-N 0 3 224.348 3.295 20 0 BGADHN CCc1ncc(CN[C@H]2C[C@H](C)C[C@H](C)C2)o1 ZINC000449609486 388242664 /nfs/dbraw/zinc/24/26/64/388242664.db2.gz NKKKJFWTFVZDIN-GDNZZTSVSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1ncc(CNC2C[C@H](C)C[C@@H](C)C2)o1 ZINC000449609487 388242320 /nfs/dbraw/zinc/24/23/20/388242320.db2.gz NKKKJFWTFVZDIN-GHMZBOCLSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1ncc(CNC2C[C@@H](C)C[C@H](C)C2)o1 ZINC000449609489 388242650 /nfs/dbraw/zinc/24/26/50/388242650.db2.gz NKKKJFWTFVZDIN-QWRGUYRKSA-N 0 3 236.359 3.151 20 0 BGADHN CCCc1ncc(CNC2CCC(C)CC2)o1 ZINC000449609557 388242409 /nfs/dbraw/zinc/24/24/09/388242409.db2.gz CCMFXAAFVQTJIX-UHFFFAOYSA-N 0 3 236.359 3.295 20 0 BGADHN CCCc1ncc(CN[C@H](CC)CCC)o1 ZINC000449609651 388242439 /nfs/dbraw/zinc/24/24/39/388242439.db2.gz CJECEEQTZCCPNV-LLVKDONJSA-N 0 3 224.348 3.295 20 0 BGADHN CCCc1ncc(CN[C@@H](CC)CCC)o1 ZINC000449609652 388242847 /nfs/dbraw/zinc/24/28/47/388242847.db2.gz CJECEEQTZCCPNV-NSHDSACASA-N 0 3 224.348 3.295 20 0 BGADHN CCCc1ncc(CNC2CC(C(C)C)C2)o1 ZINC000449609803 388242541 /nfs/dbraw/zinc/24/25/41/388242541.db2.gz DAGHDNGMASABAW-UHFFFAOYSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1ncc(CNCCC2CCCCC2)o1 ZINC000449609817 388242118 /nfs/dbraw/zinc/24/21/18/388242118.db2.gz OMEKSPMJZUPBFV-UHFFFAOYSA-N 0 3 236.359 3.297 20 0 BGADHN CCCc1ncc(CN[C@H](C)CC(C)C)o1 ZINC000449609849 388242189 /nfs/dbraw/zinc/24/21/89/388242189.db2.gz DDKNNQVSWJYOKL-LLVKDONJSA-N 0 3 224.348 3.151 20 0 BGADHN CCCc1ncc(CN[C@@H](C)CC(C)C)o1 ZINC000449609850 388242062 /nfs/dbraw/zinc/24/20/62/388242062.db2.gz DDKNNQVSWJYOKL-NSHDSACASA-N 0 3 224.348 3.151 20 0 BGADHN CCCc1ncc(CNC[C@H](C)CC(C)C)o1 ZINC000449609947 388242883 /nfs/dbraw/zinc/24/28/83/388242883.db2.gz DROITEBDKATHOH-GFCCVEGCSA-N 0 3 238.375 3.399 20 0 BGADHN CCCc1ncc(CNC[C@@H](C)CC(C)C)o1 ZINC000449609948 388242702 /nfs/dbraw/zinc/24/27/02/388242702.db2.gz DROITEBDKATHOH-LBPRGKRZSA-N 0 3 238.375 3.399 20 0 BGADHN CCc1ncc(CNCC2CCC(C)CC2)o1 ZINC000449610101 388242287 /nfs/dbraw/zinc/24/22/87/388242287.db2.gz PKKKAEYYBJEVMI-UHFFFAOYSA-N 0 3 236.359 3.153 20 0 BGADHN CCCC(CCC)NCc1cnc(CC)o1 ZINC000449610309 388242910 /nfs/dbraw/zinc/24/29/10/388242910.db2.gz QBWXHWSESLBVLG-UHFFFAOYSA-N 0 3 224.348 3.295 20 0 BGADHN CCc1ncc(CNC[C@H]2CCC[C@@H](C)C2)o1 ZINC000449610321 388242588 /nfs/dbraw/zinc/24/25/88/388242588.db2.gz QCEIXECOSIFKSJ-NEPJUHHUSA-N 0 3 236.359 3.153 20 0 BGADHN CCc1ncc(CNC[C@@H]2CCC[C@H](C)C2)o1 ZINC000449610323 388242428 /nfs/dbraw/zinc/24/24/28/388242428.db2.gz QCEIXECOSIFKSJ-NWDGAFQWSA-N 0 3 236.359 3.153 20 0 BGADHN CCc1ncc(CNC[C@H]2CCC[C@H](C)C2)o1 ZINC000449610325 388242725 /nfs/dbraw/zinc/24/27/25/388242725.db2.gz QCEIXECOSIFKSJ-RYUDHWBXSA-N 0 3 236.359 3.153 20 0 BGADHN CCc1ncc(CNC[C@@H]2CCC[C@@H](C)C2)o1 ZINC000449610326 388242679 /nfs/dbraw/zinc/24/26/79/388242679.db2.gz QCEIXECOSIFKSJ-VXGBXAGGSA-N 0 3 236.359 3.153 20 0 BGADHN CCCc1ncc(CNC[C@H](C)CCC)o1 ZINC000449610410 388242483 /nfs/dbraw/zinc/24/24/83/388242483.db2.gz GMJARZJHQVNESZ-LLVKDONJSA-N 0 3 224.348 3.153 20 0 BGADHN CCCc1ncc(CNC[C@@H](C)CCC)o1 ZINC000449610411 201985316 /nfs/dbraw/zinc/98/53/16/201985316.db2.gz GMJARZJHQVNESZ-NSHDSACASA-N 0 3 224.348 3.153 20 0 BGADHN CCc1ncc(CN[C@H](C)CC2CCCC2)o1 ZINC000449610431 388242205 /nfs/dbraw/zinc/24/22/05/388242205.db2.gz QQQMVNFHCLQWSP-LLVKDONJSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1ncc(CN[C@@H](C)CC2CCCC2)o1 ZINC000449610432 388242810 /nfs/dbraw/zinc/24/28/10/388242810.db2.gz QQQMVNFHCLQWSP-NSHDSACASA-N 0 3 236.359 3.295 20 0 BGADHN CCCc1ncc(CN[C@H](CC)C(C)C)o1 ZINC000449610611 201986300 /nfs/dbraw/zinc/98/63/00/201986300.db2.gz HFGRPWKFWXDSBX-GFCCVEGCSA-N 0 3 224.348 3.151 20 0 BGADHN CCCc1ncc(CN[C@@H](CC)C(C)C)o1 ZINC000449610612 388242265 /nfs/dbraw/zinc/24/22/65/388242265.db2.gz HFGRPWKFWXDSBX-LBPRGKRZSA-N 0 3 224.348 3.151 20 0 BGADHN CCc1ncc(CNC2CCC(CC)CC2)o1 ZINC000449610645 388242414 /nfs/dbraw/zinc/24/24/14/388242414.db2.gz RMHGJDQPDHEWNB-UHFFFAOYSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1ncc(CN[C@H](C)C2CCCCC2)o1 ZINC000449610656 388242084 /nfs/dbraw/zinc/24/20/84/388242084.db2.gz ROSRGIODOWFQSJ-LLVKDONJSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1ncc(CN[C@@H](C)C2CCCCC2)o1 ZINC000449610657 388242116 /nfs/dbraw/zinc/24/21/16/388242116.db2.gz ROSRGIODOWFQSJ-NSHDSACASA-N 0 3 236.359 3.295 20 0 BGADHN CCc1ncc(CN[C@@H](C)CC(C)(C)C)o1 ZINC000449610724 388242105 /nfs/dbraw/zinc/24/21/05/388242105.db2.gz HNYWFRONCGTINN-JTQLQIEISA-N 0 3 224.348 3.151 20 0 BGADHN CCc1ncc(CN[C@H](C)CC(C)(C)C)o1 ZINC000449610725 388242270 /nfs/dbraw/zinc/24/22/70/388242270.db2.gz HNYWFRONCGTINN-SNVBAGLBSA-N 0 3 224.348 3.151 20 0 BGADHN CCc1ncc(CNC2CCCCCC2)o1 ZINC000449610760 384714991 /nfs/dbraw/zinc/71/49/91/384714991.db2.gz RZBSHHPNUCBXOT-UHFFFAOYSA-N 0 3 222.332 3.049 20 0 BGADHN CCc1ncc(CNC[C@@H]2C(C)=CCC[C@@H]2C)o1 ZINC000449610944 388242770 /nfs/dbraw/zinc/24/27/70/388242770.db2.gz SRXZBFWNYFOYPP-GXTWGEPZSA-N 0 3 248.370 3.319 20 0 BGADHN CCc1ncc(CNC[C@H]2C(C)=CCC[C@@H]2C)o1 ZINC000449610945 388242196 /nfs/dbraw/zinc/24/21/96/388242196.db2.gz SRXZBFWNYFOYPP-JSGCOSHPSA-N 0 3 248.370 3.319 20 0 BGADHN CCc1ncc(CNC[C@H]2C(C)=CCC[C@H]2C)o1 ZINC000449610946 388242402 /nfs/dbraw/zinc/24/24/02/388242402.db2.gz SRXZBFWNYFOYPP-OCCSQVGLSA-N 0 3 248.370 3.319 20 0 BGADHN CCc1ncc(CNC[C@@H]2C(C)=CCC[C@H]2C)o1 ZINC000449610947 388242230 /nfs/dbraw/zinc/24/22/30/388242230.db2.gz SRXZBFWNYFOYPP-TZMCWYRMSA-N 0 3 248.370 3.319 20 0 BGADHN CCc1ncc(CNCC2CCCCCC2)o1 ZINC000449611084 388242471 /nfs/dbraw/zinc/24/24/71/388242471.db2.gz UFVZYHDCPJMBDL-UHFFFAOYSA-N 0 3 236.359 3.297 20 0 BGADHN CCc1ncc(CN[C@H](C)CCC=C(C)C)o1 ZINC000449611109 384719203 /nfs/dbraw/zinc/71/92/03/384719203.db2.gz UGKSZZWESCBDKW-GFCCVEGCSA-N 0 3 236.359 3.462 20 0 BGADHN CCc1ncc(CN[C@@H](C)CCC=C(C)C)o1 ZINC000449611110 384718171 /nfs/dbraw/zinc/71/81/71/384718171.db2.gz UGKSZZWESCBDKW-LBPRGKRZSA-N 0 3 236.359 3.462 20 0 BGADHN CCc1ncc(CN[C@@H]2CCCC(C)(C)C2)o1 ZINC000449611189 384719471 /nfs/dbraw/zinc/71/94/71/384719471.db2.gz UPKWXYTXHCCUHX-LLVKDONJSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1ncc(CN[C@H]2CCCC(C)(C)C2)o1 ZINC000449611190 384718977 /nfs/dbraw/zinc/71/89/77/384718977.db2.gz UPKWXYTXHCCUHX-NSHDSACASA-N 0 3 236.359 3.295 20 0 BGADHN CCc1ncc(CN[C@@H]2CC(C)(C)C[C@@H]2C)o1 ZINC000449611223 388242293 /nfs/dbraw/zinc/24/22/93/388242293.db2.gz UWKPTAXTGRQYFQ-CMPLNLGQSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1ncc(CN[C@H]2CC(C)(C)C[C@@H]2C)o1 ZINC000449611224 388242307 /nfs/dbraw/zinc/24/23/07/388242307.db2.gz UWKPTAXTGRQYFQ-JQWIXIFHSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1ncc(CN[C@H]2CC(C)(C)C[C@H]2C)o1 ZINC000449611225 388242276 /nfs/dbraw/zinc/24/22/76/388242276.db2.gz UWKPTAXTGRQYFQ-PWSUYJOCSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1ncc(CN[C@@H]2CC(C)(C)C[C@H]2C)o1 ZINC000449611226 388242905 /nfs/dbraw/zinc/24/29/05/388242905.db2.gz UWKPTAXTGRQYFQ-ZYHUDNBSSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1ncc(CNC[C@H](C)CC(C)C)o1 ZINC000449611408 388243278 /nfs/dbraw/zinc/24/32/78/388243278.db2.gz VOISUEMXLZFDJN-LLVKDONJSA-N 0 3 224.348 3.009 20 0 BGADHN CCc1ncc(CNC[C@@H](C)CC(C)C)o1 ZINC000449611409 388243242 /nfs/dbraw/zinc/24/32/42/388243242.db2.gz VOISUEMXLZFDJN-NSHDSACASA-N 0 3 224.348 3.009 20 0 BGADHN CCc1ncc(CN[C@@H]2CCC[C@H](C)[C@H]2C)o1 ZINC000449611828 388243274 /nfs/dbraw/zinc/24/32/74/388243274.db2.gz YTPIIYPFRZXALH-DMDPSCGWSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1ncc(CN[C@@H]2CCC[C@H](C)[C@@H]2C)o1 ZINC000449611829 388243912 /nfs/dbraw/zinc/24/39/12/388243912.db2.gz YTPIIYPFRZXALH-GMXVVIOVSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1ncc(CN[C@@H]2CCC[C@@H](C)[C@H]2C)o1 ZINC000449611830 388243809 /nfs/dbraw/zinc/24/38/09/388243809.db2.gz YTPIIYPFRZXALH-NQBHXWOUSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1ncc(CN[C@@H]2CCC[C@@H](C)[C@@H]2C)o1 ZINC000449611831 388243847 /nfs/dbraw/zinc/24/38/47/388243847.db2.gz YTPIIYPFRZXALH-NTZNESFSSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1ncc(CN[C@@H]2CC[C@H](C)C[C@H]2C)o1 ZINC000449611942 388243916 /nfs/dbraw/zinc/24/39/16/388243916.db2.gz ZSMKSJKQKNJLMO-DMDPSCGWSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1ncc(CN[C@@H]2CC[C@H](C)C[C@@H]2C)o1 ZINC000449611943 388243182 /nfs/dbraw/zinc/24/31/82/388243182.db2.gz ZSMKSJKQKNJLMO-GMXVVIOVSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1ncc(CN[C@@H]2CC[C@@H](C)C[C@H]2C)o1 ZINC000449611944 388243149 /nfs/dbraw/zinc/24/31/49/388243149.db2.gz ZSMKSJKQKNJLMO-NQBHXWOUSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1ncc(CN[C@@H]2CC[C@@H](C)C[C@@H]2C)o1 ZINC000449611945 388243571 /nfs/dbraw/zinc/24/35/71/388243571.db2.gz ZSMKSJKQKNJLMO-NTZNESFSSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1ncc(CN[C@H]2CCC[C@@H](CC)C2)o1 ZINC000449611946 388243542 /nfs/dbraw/zinc/24/35/42/388243542.db2.gz ZSNWDXLFVPGRST-NEPJUHHUSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1ncc(CN[C@@H]2CCC[C@H](CC)C2)o1 ZINC000449611947 388243389 /nfs/dbraw/zinc/24/33/89/388243389.db2.gz ZSNWDXLFVPGRST-NWDGAFQWSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1ncc(CN[C@H]2CCC[C@H](CC)C2)o1 ZINC000449611948 388243695 /nfs/dbraw/zinc/24/36/95/388243695.db2.gz ZSNWDXLFVPGRST-RYUDHWBXSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1ncc(CN[C@@H]2CCC[C@@H](CC)C2)o1 ZINC000449611949 201985508 /nfs/dbraw/zinc/98/55/08/201985508.db2.gz ZSNWDXLFVPGRST-VXGBXAGGSA-N 0 3 236.359 3.295 20 0 BGADHN CCCc1ncc(CN[C@@H](C)[C@H]2CC2(C)C)o1 ZINC000449612085 384723555 /nfs/dbraw/zinc/72/35/55/384723555.db2.gz JRTOYCBEWOUPTJ-CMPLNLGQSA-N 0 3 236.359 3.151 20 0 BGADHN CCCc1ncc(CN[C@@H](C)[C@@H]2CC2(C)C)o1 ZINC000449612086 384721759 /nfs/dbraw/zinc/72/17/59/384721759.db2.gz JRTOYCBEWOUPTJ-JQWIXIFHSA-N 0 3 236.359 3.151 20 0 BGADHN CCCc1ncc(CN[C@H](C)[C@@H]2CC2(C)C)o1 ZINC000449612087 384721389 /nfs/dbraw/zinc/72/13/89/384721389.db2.gz JRTOYCBEWOUPTJ-PWSUYJOCSA-N 0 3 236.359 3.151 20 0 BGADHN CCCc1ncc(CN[C@H](C)[C@H]2CC2(C)C)o1 ZINC000449612088 384722243 /nfs/dbraw/zinc/72/22/43/384722243.db2.gz JRTOYCBEWOUPTJ-ZYHUDNBSSA-N 0 3 236.359 3.151 20 0 BGADHN CCCc1ncc(CN[C@H](C)CCC2CC2)o1 ZINC000449612239 201984927 /nfs/dbraw/zinc/98/49/27/201984927.db2.gz KPXBBLKCQOPUMZ-LLVKDONJSA-N 0 3 236.359 3.295 20 0 BGADHN CCCc1ncc(CN[C@@H](C)CCC2CC2)o1 ZINC000449612240 388243583 /nfs/dbraw/zinc/24/35/83/388243583.db2.gz KPXBBLKCQOPUMZ-NSHDSACASA-N 0 3 236.359 3.295 20 0 BGADHN CCCc1ncc(CNCC2CCCCC2)o1 ZINC000449612332 388243147 /nfs/dbraw/zinc/24/31/47/388243147.db2.gz LIPDVIURAPHIBD-UHFFFAOYSA-N 0 3 236.359 3.297 20 0 BGADHN CCCc1ncc(CNCCCC(C)C)o1 ZINC000449612341 388243315 /nfs/dbraw/zinc/24/33/15/388243315.db2.gz LKBCNSDBYXMZQP-UHFFFAOYSA-N 0 3 224.348 3.153 20 0 BGADHN CCCc1ncc(CN[C@H]2CCCC[C@@H]2C)o1 ZINC000449612442 388243128 /nfs/dbraw/zinc/24/31/28/388243128.db2.gz MFRQLXLZPWSQQU-AAEUAGOBSA-N 0 3 236.359 3.295 20 0 BGADHN CCCc1ncc(CN[C@@H]2CCCC[C@H]2C)o1 ZINC000449612443 388243923 /nfs/dbraw/zinc/24/39/23/388243923.db2.gz MFRQLXLZPWSQQU-DGCLKSJQSA-N 0 3 236.359 3.295 20 0 BGADHN CCCc1ncc(CN[C@@H]2CCCC[C@@H]2C)o1 ZINC000449612444 388243851 /nfs/dbraw/zinc/24/38/51/388243851.db2.gz MFRQLXLZPWSQQU-WCQYABFASA-N 0 3 236.359 3.295 20 0 BGADHN CCCc1ncc(CN[C@H]2CCCC[C@H]2C)o1 ZINC000449612445 201987317 /nfs/dbraw/zinc/98/73/17/201987317.db2.gz MFRQLXLZPWSQQU-YPMHNXCESA-N 0 3 236.359 3.295 20 0 BGADHN CCCc1ncc(CNCC(CC)CC)o1 ZINC000449612777 384725607 /nfs/dbraw/zinc/72/56/07/384725607.db2.gz OMUUSYHXCYYRPT-UHFFFAOYSA-N 0 3 224.348 3.153 20 0 BGADHN CCCc1ncc(CN[C@@H]2CCC[C@@H]3C[C@@]32C)o1 ZINC000449612808 388243309 /nfs/dbraw/zinc/24/33/09/388243309.db2.gz OQXXXXYWJPDVLP-KYOSRNDESA-N 0 3 248.370 3.295 20 0 BGADHN CCCc1ncc(CN[C@@H]2CCC[C@H]3C[C@]32C)o1 ZINC000449612810 388243786 /nfs/dbraw/zinc/24/37/86/388243786.db2.gz OQXXXXYWJPDVLP-NJZAAPMLSA-N 0 3 248.370 3.295 20 0 BGADHN CCCc1ncc(CN[C@H](C)[C@H](C)CC)o1 ZINC000449612939 388243179 /nfs/dbraw/zinc/24/31/79/388243179.db2.gz PODUWLSZMJVENW-GHMZBOCLSA-N 0 3 224.348 3.151 20 0 BGADHN CCCc1ncc(CN[C@@H](C)[C@H](C)CC)o1 ZINC000449612940 388243176 /nfs/dbraw/zinc/24/31/76/388243176.db2.gz PODUWLSZMJVENW-MNOVXSKESA-N 0 3 224.348 3.151 20 0 BGADHN CCCc1ncc(CN[C@@H](C)[C@@H](C)CC)o1 ZINC000449612941 201987368 /nfs/dbraw/zinc/98/73/68/201987368.db2.gz PODUWLSZMJVENW-QWRGUYRKSA-N 0 3 224.348 3.151 20 0 BGADHN CCCc1ncc(CN[C@H](C)[C@@H](C)CC)o1 ZINC000449612942 388243214 /nfs/dbraw/zinc/24/32/14/388243214.db2.gz PODUWLSZMJVENW-WDEREUQCSA-N 0 3 224.348 3.151 20 0 BGADHN CCCc1ncc(CNC2CCCCC2)o1 ZINC000449613046 388243827 /nfs/dbraw/zinc/24/38/27/388243827.db2.gz QLSBQSODDCBIJB-UHFFFAOYSA-N 0 3 222.332 3.049 20 0 BGADHN CCCc1ncc(CN[C@@H]2CCCC2(C)C)o1 ZINC000449613117 388243346 /nfs/dbraw/zinc/24/33/46/388243346.db2.gz QVYHXBFXJUSPHT-GFCCVEGCSA-N 0 3 236.359 3.295 20 0 BGADHN CCCc1ncc(CN[C@H]2CCCC2(C)C)o1 ZINC000449613118 384726847 /nfs/dbraw/zinc/72/68/47/384726847.db2.gz QVYHXBFXJUSPHT-LBPRGKRZSA-N 0 3 236.359 3.295 20 0 BGADHN CCCc1ncc(CNC[C@@H]2CC=CCC2)o1 ZINC000449613793 388243433 /nfs/dbraw/zinc/24/34/33/388243433.db2.gz SZHNUOABHMJIQY-GFCCVEGCSA-N 0 3 234.343 3.073 20 0 BGADHN CCCc1ncc(CNC[C@H]2CC=CCC2)o1 ZINC000449613794 388243868 /nfs/dbraw/zinc/24/38/68/388243868.db2.gz SZHNUOABHMJIQY-LBPRGKRZSA-N 0 3 234.343 3.073 20 0 BGADHN CCCc1ncc(CNC2CCC3(CC3)CC2)o1 ZINC000449614027 384731877 /nfs/dbraw/zinc/73/18/77/384731877.db2.gz UGXYXVRPXZSJMG-UHFFFAOYSA-N 0 3 248.370 3.440 20 0 BGADHN CCCC[C@@H](C)NCc1cnc(CCC)o1 ZINC000449614250 388243151 /nfs/dbraw/zinc/24/31/51/388243151.db2.gz VCUUZDZWBGUIIS-LLVKDONJSA-N 0 3 224.348 3.295 20 0 BGADHN CCCC[C@H](C)NCc1cnc(CCC)o1 ZINC000449614251 388243188 /nfs/dbraw/zinc/24/31/88/388243188.db2.gz VCUUZDZWBGUIIS-NSHDSACASA-N 0 3 224.348 3.295 20 0 BGADHN CCCc1ncc(CNC2CCCCCC2)o1 ZINC000449614379 388243804 /nfs/dbraw/zinc/24/38/04/388243804.db2.gz VIIIMOOZWGKRJS-UHFFFAOYSA-N 0 3 236.359 3.440 20 0 BGADHN CCCc1ncc(CN[C@H]2CC[C@H]2C2CCC2)o1 ZINC000449614413 388243438 /nfs/dbraw/zinc/24/34/38/388243438.db2.gz VMNUJOQMDNGFFJ-KBPBESRZSA-N 0 3 248.370 3.295 20 0 BGADHN CCCc1ncc(CN[C@H]2CC[C@@H]2C2CCC2)o1 ZINC000449614414 388243928 /nfs/dbraw/zinc/24/39/28/388243928.db2.gz VMNUJOQMDNGFFJ-KGLIPLIRSA-N 0 3 248.370 3.295 20 0 BGADHN CCCc1ncc(CN[C@@H]2CC[C@H]2C2CCC2)o1 ZINC000449614415 388243690 /nfs/dbraw/zinc/24/36/90/388243690.db2.gz VMNUJOQMDNGFFJ-UONOGXRCSA-N 0 3 248.370 3.295 20 0 BGADHN CCCc1ncc(CN[C@@H]2CC[C@@H]2C2CCC2)o1 ZINC000449614416 384726269 /nfs/dbraw/zinc/72/62/69/384726269.db2.gz VMNUJOQMDNGFFJ-ZIAGYGMSSA-N 0 3 248.370 3.295 20 0 BGADHN CCCc1ncc(CN[C@H](C)C2CCCC2)o1 ZINC000449614417 384727884 /nfs/dbraw/zinc/72/78/84/384727884.db2.gz VMZAFBYWSQTGCX-LLVKDONJSA-N 0 3 236.359 3.295 20 0 BGADHN CCCc1ncc(CN[C@@H](C)C2CCCC2)o1 ZINC000449614418 384726771 /nfs/dbraw/zinc/72/67/71/384726771.db2.gz VMZAFBYWSQTGCX-NSHDSACASA-N 0 3 236.359 3.295 20 0 BGADHN CCCc1ncc(CN[C@H]2CCC[C@H]2C2CC2)o1 ZINC000449614628 388243833 /nfs/dbraw/zinc/24/38/33/388243833.db2.gz WHFHBCWUXKZKDC-KBPBESRZSA-N 0 3 248.370 3.295 20 0 BGADHN CCCc1ncc(CN[C@H]2CCC[C@@H]2C2CC2)o1 ZINC000449614629 388243374 /nfs/dbraw/zinc/24/33/74/388243374.db2.gz WHFHBCWUXKZKDC-KGLIPLIRSA-N 0 3 248.370 3.295 20 0 BGADHN CCCc1ncc(CN[C@@H]2CCC[C@H]2C2CC2)o1 ZINC000449614630 388243819 /nfs/dbraw/zinc/24/38/19/388243819.db2.gz WHFHBCWUXKZKDC-UONOGXRCSA-N 0 3 248.370 3.295 20 0 BGADHN CCCc1ncc(CN[C@@H]2CCC[C@@H]2C2CC2)o1 ZINC000449614631 388243238 /nfs/dbraw/zinc/24/32/38/388243238.db2.gz WHFHBCWUXKZKDC-ZIAGYGMSSA-N 0 3 248.370 3.295 20 0 BGADHN CCc1ncc(CN[C@H](CC)C2CCCC2)o1 ZINC000449614769 388243364 /nfs/dbraw/zinc/24/33/64/388243364.db2.gz WNXZTGFVOKCGAO-CYBMUJFWSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1ncc(CN[C@@H](CC)C2CCCC2)o1 ZINC000449614770 388243798 /nfs/dbraw/zinc/24/37/98/388243798.db2.gz WNXZTGFVOKCGAO-ZDUSSCGKSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1ncc(CN[C@@H]2CCCC23CCC3)o1 ZINC000449614781 388243760 /nfs/dbraw/zinc/24/37/60/388243760.db2.gz WSFJOIILJQHFHI-GFCCVEGCSA-N 0 3 234.343 3.049 20 0 BGADHN CCc1ncc(CN[C@H]2CCCC23CCC3)o1 ZINC000449614782 388243172 /nfs/dbraw/zinc/24/31/72/388243172.db2.gz WSFJOIILJQHFHI-LBPRGKRZSA-N 0 3 234.343 3.049 20 0 BGADHN CCCc1ncc(CN[C@@H]2CC[C@@H]2C(C)C)o1 ZINC000449615368 398303489 /nfs/dbraw/zinc/30/34/89/398303489.db2.gz YPJKQVFQLBNULK-CHWSQXEVSA-N 0 3 236.359 3.151 20 0 BGADHN CCCc1ncc(CN[C@H]2CC[C@@H]2C(C)C)o1 ZINC000449615369 398303643 /nfs/dbraw/zinc/30/36/43/398303643.db2.gz YPJKQVFQLBNULK-OLZOCXBDSA-N 0 3 236.359 3.151 20 0 BGADHN CCCc1ncc(CN[C@@H]2CC[C@H]2C(C)C)o1 ZINC000449615370 398303798 /nfs/dbraw/zinc/30/37/98/398303798.db2.gz YPJKQVFQLBNULK-QWHCGFSZSA-N 0 3 236.359 3.151 20 0 BGADHN CCCc1ncc(CN[C@H]2CC[C@H]2C(C)C)o1 ZINC000449615371 398303814 /nfs/dbraw/zinc/30/38/14/398303814.db2.gz YPJKQVFQLBNULK-STQMWFEESA-N 0 3 236.359 3.151 20 0 BGADHN CCCc1ncc(CN[C@H]2CCC[C@@H](C)C2)o1 ZINC000449615497 388243933 /nfs/dbraw/zinc/24/39/33/388243933.db2.gz ZBTPYMQPMXBBQF-NEPJUHHUSA-N 0 3 236.359 3.295 20 0 BGADHN CCCc1ncc(CN[C@@H]2CCC[C@H](C)C2)o1 ZINC000449615498 388243466 /nfs/dbraw/zinc/24/34/66/388243466.db2.gz ZBTPYMQPMXBBQF-NWDGAFQWSA-N 0 3 236.359 3.295 20 0 BGADHN CCCc1ncc(CN[C@H]2CCC[C@H](C)C2)o1 ZINC000449615499 388243299 /nfs/dbraw/zinc/24/32/99/388243299.db2.gz ZBTPYMQPMXBBQF-RYUDHWBXSA-N 0 3 236.359 3.295 20 0 BGADHN CCCc1ncc(CN[C@@H]2CCC[C@@H](C)C2)o1 ZINC000449615500 388243169 /nfs/dbraw/zinc/24/31/69/388243169.db2.gz ZBTPYMQPMXBBQF-VXGBXAGGSA-N 0 3 236.359 3.295 20 0 BGADHN c1coc([C@H]2N(CC3CC3)CC23CCC3)c1 ZINC000449628342 388244840 /nfs/dbraw/zinc/24/48/40/388244840.db2.gz CCRJWLDSRINMFP-CYBMUJFWSA-N 0 3 217.312 3.217 20 0 BGADHN c1coc([C@@H]2N(CC3CC3)CC23CCC3)c1 ZINC000449628343 388245442 /nfs/dbraw/zinc/24/54/42/388245442.db2.gz CCRJWLDSRINMFP-ZDUSSCGKSA-N 0 3 217.312 3.217 20 0 BGADHN CCCc1ncc(CN[C@@H]2CCCC23CCC3)o1 ZINC000449629696 388246452 /nfs/dbraw/zinc/24/64/52/388246452.db2.gz UNDNETZSLPRJBS-CYBMUJFWSA-N 0 3 248.370 3.440 20 0 BGADHN CCCc1ncc(CN[C@H]2CCCC23CCC3)o1 ZINC000449629697 388246149 /nfs/dbraw/zinc/24/61/49/388246149.db2.gz UNDNETZSLPRJBS-ZDUSSCGKSA-N 0 3 248.370 3.440 20 0 BGADHN CC[C@H](C)N1CCN(C[C@H](C)CC(C)C)CC1 ZINC000449635711 388246882 /nfs/dbraw/zinc/24/68/82/388246882.db2.gz YKYQMFRDZIBMHH-CABCVRRESA-N 0 3 240.435 3.085 20 0 BGADHN CC[C@H](C)N1CCN(C[C@@H](C)CC(C)C)CC1 ZINC000449635712 388247366 /nfs/dbraw/zinc/24/73/66/388247366.db2.gz YKYQMFRDZIBMHH-GJZGRUSLSA-N 0 3 240.435 3.085 20 0 BGADHN CC[C@@H](C)N1CCN(C[C@H](C)CC(C)C)CC1 ZINC000449635713 388246876 /nfs/dbraw/zinc/24/68/76/388246876.db2.gz YKYQMFRDZIBMHH-HUUCEWRRSA-N 0 3 240.435 3.085 20 0 BGADHN CC[C@@H](C)N1CCN(C[C@@H](C)CC(C)C)CC1 ZINC000449635714 388246991 /nfs/dbraw/zinc/24/69/91/388246991.db2.gz YKYQMFRDZIBMHH-LSDHHAIUSA-N 0 3 240.435 3.085 20 0 BGADHN CC(C)CN1CC2(CCC2)[C@H]1c1ccco1 ZINC000449640709 388247498 /nfs/dbraw/zinc/24/74/98/388247498.db2.gz SPKVZHAOPSMMRU-CYBMUJFWSA-N 0 3 219.328 3.463 20 0 BGADHN CC(C)CN1CC2(CCC2)[C@@H]1c1ccco1 ZINC000449640710 388247845 /nfs/dbraw/zinc/24/78/45/388247845.db2.gz SPKVZHAOPSMMRU-ZDUSSCGKSA-N 0 3 219.328 3.463 20 0 BGADHN C[C@@H]1C[C@@H]1CN1CC2(CCC2)[C@@H]1c1ccco1 ZINC000449642510 388247621 /nfs/dbraw/zinc/24/76/21/388247621.db2.gz XJKVGTXWIQXAIU-BZPMIXESSA-N 0 3 231.339 3.463 20 0 BGADHN C[C@@H]1C[C@H]1CN1CC2(CCC2)[C@@H]1c1ccco1 ZINC000449642511 388247518 /nfs/dbraw/zinc/24/75/18/388247518.db2.gz XJKVGTXWIQXAIU-DYEKYZERSA-N 0 3 231.339 3.463 20 0 BGADHN C[C@@H]1C[C@H]1CN1CC2(CCC2)[C@H]1c1ccco1 ZINC000449642512 388247508 /nfs/dbraw/zinc/24/75/08/388247508.db2.gz XJKVGTXWIQXAIU-MBNYWOFBSA-N 0 3 231.339 3.463 20 0 BGADHN C[C@@H]1C[C@@H]1CN1CC2(CCC2)[C@H]1c1ccco1 ZINC000449642513 388247798 /nfs/dbraw/zinc/24/77/98/388247798.db2.gz XJKVGTXWIQXAIU-YRGRVCCFSA-N 0 3 231.339 3.463 20 0 BGADHN CCC[C@@H](C)CC(=O)Nc1ccc2c(c1)CNC2 ZINC000449663437 388250467 /nfs/dbraw/zinc/25/04/67/388250467.db2.gz AKJINFFRJWIRMK-LLVKDONJSA-N 0 3 246.354 3.055 20 0 BGADHN CCC[C@H](C)CC(=O)Nc1ccc2c(c1)CNC2 ZINC000449663438 388250566 /nfs/dbraw/zinc/25/05/66/388250566.db2.gz AKJINFFRJWIRMK-NSHDSACASA-N 0 3 246.354 3.055 20 0 BGADHN Cc1nn(C(C)C)cc1CNC1(C2(C)CC2)CC1 ZINC000449669095 202001469 /nfs/dbraw/zinc/00/14/69/202001469.db2.gz MCVNJMWNJAVYPV-UHFFFAOYSA-N 0 3 247.386 3.195 20 0 BGADHN COc1cc(C)ccc1CNC1(C2(C)CC2)CC1 ZINC000449671465 202000292 /nfs/dbraw/zinc/00/02/92/202000292.db2.gz RTCVFNHPUKYQFB-UHFFFAOYSA-N 0 3 245.366 3.426 20 0 BGADHN CC1(C2(NCc3cc4cccnc4o3)CC2)CC1 ZINC000449671628 202000979 /nfs/dbraw/zinc/00/09/79/202000979.db2.gz SOKRUBWURSWCGW-UHFFFAOYSA-N 0 3 242.322 3.250 20 0 BGADHN COc1ccc(F)c(CNC2(C3(C)CC3)CC2)c1 ZINC000449671797 202001139 /nfs/dbraw/zinc/00/11/39/202001139.db2.gz TYBDXLILKAPJSP-UHFFFAOYSA-N 0 3 249.329 3.257 20 0 BGADHN CC1(C2(NCc3scnc3C3CC3)CC2)CC1 ZINC000449671850 398305422 /nfs/dbraw/zinc/30/54/22/398305422.db2.gz UJJSNYFWOJGBQM-UHFFFAOYSA-N 0 3 248.395 3.443 20 0 BGADHN CCc1ccc(CNC2(C3(C)CC3)CC2)cn1 ZINC000449672245 202001581 /nfs/dbraw/zinc/00/15/81/202001581.db2.gz VRHZPWJNRPGYSR-UHFFFAOYSA-N 0 3 230.355 3.066 20 0 BGADHN CCC(CC)CC(=O)Nc1ccc2c(c1)CNC2 ZINC000449673483 323004811 /nfs/dbraw/zinc/00/48/11/323004811.db2.gz OWZVZXQPXHNSJU-UHFFFAOYSA-N 0 3 246.354 3.055 20 0 BGADHN CCC(C)(C)CC(=O)Nc1ccc2c(c1)CNC2 ZINC000449673642 202001573 /nfs/dbraw/zinc/00/15/73/202001573.db2.gz PMHFQSVSJBEUFM-UHFFFAOYSA-N 0 3 246.354 3.055 20 0 BGADHN COc1ccsc1CNC1(C2(C)CC2)CC1 ZINC000449674292 202001504 /nfs/dbraw/zinc/00/15/04/202001504.db2.gz TXPPZGWBNXFQOM-UHFFFAOYSA-N 0 3 237.368 3.179 20 0 BGADHN CC1CCC(CNCc2cnc(C3CC3)o2)CC1 ZINC000449694046 202002489 /nfs/dbraw/zinc/00/24/89/202002489.db2.gz AJLLEYBNLZZWEX-UHFFFAOYSA-N 0 3 248.370 3.468 20 0 BGADHN C[C@H]1CC(NCc2cnc(C3CC3)o2)C[C@H](C)C1 ZINC000449695286 202002958 /nfs/dbraw/zinc/00/29/58/202002958.db2.gz FBCGCSXXTKHPNJ-GHMZBOCLSA-N 0 3 248.370 3.466 20 0 BGADHN C[C@H]1C[C@H](NCc2cnc(C3CC3)o2)C[C@@H](C)C1 ZINC000449695287 202002474 /nfs/dbraw/zinc/00/24/74/202002474.db2.gz FBCGCSXXTKHPNJ-PJXYFTJBSA-N 0 3 248.370 3.466 20 0 BGADHN C[C@@H]1CC(NCc2cnc(C3CC3)o2)C[C@@H](C)C1 ZINC000449695288 202002579 /nfs/dbraw/zinc/00/25/79/202002579.db2.gz FBCGCSXXTKHPNJ-QWRGUYRKSA-N 0 3 248.370 3.466 20 0 BGADHN c1nc(C2CC2)oc1CNC1CCCCCC1 ZINC000449695492 202002083 /nfs/dbraw/zinc/00/20/83/202002083.db2.gz FEIBSIBTILDWIP-UHFFFAOYSA-N 0 3 234.343 3.364 20 0 BGADHN CC(C)C[C@H](C)NCc1cnc(C2CC2)o1 ZINC000449696602 202004603 /nfs/dbraw/zinc/00/46/03/202004603.db2.gz IJEQUIXFCNLJAT-JTQLQIEISA-N 0 3 222.332 3.076 20 0 BGADHN CC(C)C[C@@H](C)NCc1cnc(C2CC2)o1 ZINC000449696603 202004921 /nfs/dbraw/zinc/00/49/21/202004921.db2.gz IJEQUIXFCNLJAT-SNVBAGLBSA-N 0 3 222.332 3.076 20 0 BGADHN C[C@H]1CCCC[C@@H]1NCc1cnc(C2CC2)o1 ZINC000449696640 202005248 /nfs/dbraw/zinc/00/52/48/202005248.db2.gz IOLKRGLFFTUMIQ-GWCFXTLKSA-N 0 3 234.343 3.220 20 0 BGADHN C[C@H]1CCCC[C@H]1NCc1cnc(C2CC2)o1 ZINC000449696641 202005592 /nfs/dbraw/zinc/00/55/92/202005592.db2.gz IOLKRGLFFTUMIQ-GXFFZTMASA-N 0 3 234.343 3.220 20 0 BGADHN C[C@@H]1CCCC[C@@H]1NCc1cnc(C2CC2)o1 ZINC000449696642 202004984 /nfs/dbraw/zinc/00/49/84/202004984.db2.gz IOLKRGLFFTUMIQ-MFKMUULPSA-N 0 3 234.343 3.220 20 0 BGADHN C[C@@H]1CCCC[C@H]1NCc1cnc(C2CC2)o1 ZINC000449696643 202005335 /nfs/dbraw/zinc/00/53/35/202005335.db2.gz IOLKRGLFFTUMIQ-ZWNOBZJWSA-N 0 3 234.343 3.220 20 0 BGADHN c1nc(C2CC2)oc1CNCC1CCCCC1 ZINC000449697108 202004012 /nfs/dbraw/zinc/00/40/12/202004012.db2.gz KCTPBYQLTAEVFL-UHFFFAOYSA-N 0 3 234.343 3.222 20 0 BGADHN C[C@H]1CCC[C@@H](NCc2cnc(C3CC3)o2)C1 ZINC000449698660 202003922 /nfs/dbraw/zinc/00/39/22/202003922.db2.gz OJROKIMOSKWLCT-CMPLNLGQSA-N 0 3 234.343 3.220 20 0 BGADHN C[C@H]1CCC[C@H](NCc2cnc(C3CC3)o2)C1 ZINC000449698663 202004935 /nfs/dbraw/zinc/00/49/35/202004935.db2.gz OJROKIMOSKWLCT-JQWIXIFHSA-N 0 3 234.343 3.220 20 0 BGADHN C[C@@H]1CCC[C@H](NCc2cnc(C3CC3)o2)C1 ZINC000449698665 202005507 /nfs/dbraw/zinc/00/55/07/202005507.db2.gz OJROKIMOSKWLCT-PWSUYJOCSA-N 0 3 234.343 3.220 20 0 BGADHN C[C@@H]1CCC[C@@H](NCc2cnc(C3CC3)o2)C1 ZINC000449698667 202005211 /nfs/dbraw/zinc/00/52/11/202005211.db2.gz OJROKIMOSKWLCT-ZYHUDNBSSA-N 0 3 234.343 3.220 20 0 BGADHN CC[C@@H](NCc1cnc(C2CC2)o1)C1CCC1 ZINC000449699811 202004449 /nfs/dbraw/zinc/00/44/49/202004449.db2.gz ADECHCDMXQTBCY-CYBMUJFWSA-N 0 3 234.343 3.220 20 0 BGADHN CC[C@H](NCc1cnc(C2CC2)o1)C1CCC1 ZINC000449699812 202003996 /nfs/dbraw/zinc/00/39/96/202003996.db2.gz ADECHCDMXQTBCY-ZDUSSCGKSA-N 0 3 234.343 3.220 20 0 BGADHN C[C@H]1CC(C)(C)C[C@@H]1NCc1cnc(C2CC2)o1 ZINC000449700387 202004942 /nfs/dbraw/zinc/00/49/42/202004942.db2.gz AUXODHXTEDICJE-GWCFXTLKSA-N 0 3 248.370 3.466 20 0 BGADHN C[C@H]1CC(C)(C)C[C@H]1NCc1cnc(C2CC2)o1 ZINC000449700388 202003755 /nfs/dbraw/zinc/00/37/55/202003755.db2.gz AUXODHXTEDICJE-GXFFZTMASA-N 0 3 248.370 3.466 20 0 BGADHN C[C@@H]1CC(C)(C)C[C@@H]1NCc1cnc(C2CC2)o1 ZINC000449700389 202005323 /nfs/dbraw/zinc/00/53/23/202005323.db2.gz AUXODHXTEDICJE-MFKMUULPSA-N 0 3 248.370 3.466 20 0 BGADHN C[C@@H]1CC(C)(C)C[C@H]1NCc1cnc(C2CC2)o1 ZINC000449700390 202005750 /nfs/dbraw/zinc/00/57/50/202005750.db2.gz AUXODHXTEDICJE-ZWNOBZJWSA-N 0 3 248.370 3.466 20 0 BGADHN C[C@H]1CCCC[C@H]1CNCc1cnc(C2CC2)o1 ZINC000449700435 202004222 /nfs/dbraw/zinc/00/42/22/202004222.db2.gz AXIRETRVHVVQRE-AAEUAGOBSA-N 0 3 248.370 3.468 20 0 BGADHN C[C@@H]1CCCC[C@@H]1CNCc1cnc(C2CC2)o1 ZINC000449700436 202004042 /nfs/dbraw/zinc/00/40/42/202004042.db2.gz AXIRETRVHVVQRE-DGCLKSJQSA-N 0 3 248.370 3.468 20 0 BGADHN C[C@H]1CCCC[C@@H]1CNCc1cnc(C2CC2)o1 ZINC000449700437 202004860 /nfs/dbraw/zinc/00/48/60/202004860.db2.gz AXIRETRVHVVQRE-WCQYABFASA-N 0 3 248.370 3.468 20 0 BGADHN C[C@@H]1CCCC[C@H]1CNCc1cnc(C2CC2)o1 ZINC000449700438 202005253 /nfs/dbraw/zinc/00/52/53/202005253.db2.gz AXIRETRVHVVQRE-YPMHNXCESA-N 0 3 248.370 3.468 20 0 BGADHN C[C@@H]1CC[C@H](NCc2cnc(C3CC3)o2)[C@H](C)C1 ZINC000449700895 202004561 /nfs/dbraw/zinc/00/45/61/202004561.db2.gz BLHODHBQJYJERT-GYSYKLTISA-N 0 3 248.370 3.466 20 0 BGADHN C[C@@H]1CC[C@@H](NCc2cnc(C3CC3)o2)[C@H](C)C1 ZINC000449700896 202003972 /nfs/dbraw/zinc/00/39/72/202003972.db2.gz BLHODHBQJYJERT-JTNHKYCSSA-N 0 3 248.370 3.466 20 0 BGADHN C[C@@H]1CC[C@H](NCc2cnc(C3CC3)o2)[C@@H](C)C1 ZINC000449700897 202004575 /nfs/dbraw/zinc/00/45/75/202004575.db2.gz BLHODHBQJYJERT-SUNKGSAMSA-N 0 3 248.370 3.466 20 0 BGADHN C[C@@H]1CC[C@@H](NCc2cnc(C3CC3)o2)[C@@H](C)C1 ZINC000449700898 202003730 /nfs/dbraw/zinc/00/37/30/202003730.db2.gz BLHODHBQJYJERT-UHIISALHSA-N 0 3 248.370 3.466 20 0 BGADHN CC1CCC(NCc2cnc(C3CC3)o2)CC1 ZINC000449701083 202004486 /nfs/dbraw/zinc/00/44/86/202004486.db2.gz VYYPIZJSNGPOBU-UHFFFAOYSA-N 0 3 234.343 3.220 20 0 BGADHN C[C@@H](CC(C)(C)C)NCc1cnc(C2CC2)o1 ZINC000449701827 202005581 /nfs/dbraw/zinc/00/55/81/202005581.db2.gz CMCZNNSCMYYOCT-JTQLQIEISA-N 0 3 236.359 3.466 20 0 BGADHN C[C@H](CC(C)(C)C)NCc1cnc(C2CC2)o1 ZINC000449701828 202005499 /nfs/dbraw/zinc/00/54/99/202005499.db2.gz CMCZNNSCMYYOCT-SNVBAGLBSA-N 0 3 236.359 3.466 20 0 BGADHN CCC(CC)CNCc1cnc(C2CC2)o1 ZINC000449701893 202003931 /nfs/dbraw/zinc/00/39/31/202003931.db2.gz XSVPQLLYCLRRQH-UHFFFAOYSA-N 0 3 222.332 3.078 20 0 BGADHN CC(C)[C@@H]1CCC[C@@H]1NCc1cnc(C2CC2)o1 ZINC000449703461 202005436 /nfs/dbraw/zinc/00/54/36/202005436.db2.gz GFAIJNVRSWRRSZ-KBPBESRZSA-N 0 3 248.370 3.466 20 0 BGADHN CC(C)[C@H]1CCC[C@@H]1NCc1cnc(C2CC2)o1 ZINC000449703463 202004214 /nfs/dbraw/zinc/00/42/14/202004214.db2.gz GFAIJNVRSWRRSZ-KGLIPLIRSA-N 0 3 248.370 3.466 20 0 BGADHN CC(C)[C@@H]1CCC[C@H]1NCc1cnc(C2CC2)o1 ZINC000449703464 202004612 /nfs/dbraw/zinc/00/46/12/202004612.db2.gz GFAIJNVRSWRRSZ-UONOGXRCSA-N 0 3 248.370 3.466 20 0 BGADHN CC(C)[C@H]1CCC[C@H]1NCc1cnc(C2CC2)o1 ZINC000449703465 202005673 /nfs/dbraw/zinc/00/56/73/202005673.db2.gz GFAIJNVRSWRRSZ-ZIAGYGMSSA-N 0 3 248.370 3.466 20 0 BGADHN CC(C)(C)CCNCc1cnc(C2CC2)o1 ZINC000449703840 202004325 /nfs/dbraw/zinc/00/43/25/202004325.db2.gz GRZZAVOFJNQNLZ-UHFFFAOYSA-N 0 3 222.332 3.078 20 0 BGADHN CC(C)CC[C@@H](C)NCc1cnc(C2CC2)o1 ZINC000449704164 202005742 /nfs/dbraw/zinc/00/57/42/202005742.db2.gz HJXIKRVATBDGDV-LLVKDONJSA-N 0 3 236.359 3.466 20 0 BGADHN CC(C)CC[C@H](C)NCc1cnc(C2CC2)o1 ZINC000449704165 384986178 /nfs/dbraw/zinc/98/61/78/384986178.db2.gz HJXIKRVATBDGDV-NSHDSACASA-N 0 3 236.359 3.466 20 0 BGADHN CCC[C@H](C)CNCc1cnc(C2CC2)o1 ZINC000449704192 202005087 /nfs/dbraw/zinc/00/50/87/202005087.db2.gz HTBDBGKRJJBJEI-JTQLQIEISA-N 0 3 222.332 3.078 20 0 BGADHN CCC[C@@H](C)CNCc1cnc(C2CC2)o1 ZINC000449704193 202003040 /nfs/dbraw/zinc/00/30/40/202003040.db2.gz HTBDBGKRJJBJEI-SNVBAGLBSA-N 0 3 222.332 3.078 20 0 BGADHN CC(C)C[C@@H](C)CNCc1cnc(C2CC2)o1 ZINC000449704614 202005062 /nfs/dbraw/zinc/00/50/62/202005062.db2.gz ILJWSBYNTYSJSQ-LLVKDONJSA-N 0 3 236.359 3.324 20 0 BGADHN CC(C)C[C@H](C)CNCc1cnc(C2CC2)o1 ZINC000449704618 202005645 /nfs/dbraw/zinc/00/56/45/202005645.db2.gz ILJWSBYNTYSJSQ-NSHDSACASA-N 0 3 236.359 3.324 20 0 BGADHN CC(C)C1CC(NCc2cnc(C3CC3)o2)C1 ZINC000449705175 202005182 /nfs/dbraw/zinc/00/51/82/202005182.db2.gz JQUIOLFXFMJRHV-UHFFFAOYSA-N 0 3 234.343 3.076 20 0 BGADHN CC1(C)CC[C@@H](NCc2cnc(C3CC3)o2)C1 ZINC000449705597 202005490 /nfs/dbraw/zinc/00/54/90/202005490.db2.gz KZAURILKGIHLSR-LLVKDONJSA-N 0 3 234.343 3.220 20 0 BGADHN CC1(C)CC[C@H](NCc2cnc(C3CC3)o2)C1 ZINC000449705598 202004595 /nfs/dbraw/zinc/00/45/95/202004595.db2.gz KZAURILKGIHLSR-NSHDSACASA-N 0 3 234.343 3.220 20 0 BGADHN C[C@@H]1CC[C@H](NCc2cnc(C3CC3)o2)C[C@@H]1C ZINC000449705753 202004201 /nfs/dbraw/zinc/00/42/01/202004201.db2.gz LAUARKCKRHKZEG-MDZLAQPJSA-N 0 3 248.370 3.466 20 0 BGADHN C[C@@H]1CC[C@@H](NCc2cnc(C3CC3)o2)C[C@H]1C ZINC000449705754 202004435 /nfs/dbraw/zinc/00/44/35/202004435.db2.gz LAUARKCKRHKZEG-NQBHXWOUSA-N 0 3 248.370 3.466 20 0 BGADHN C[C@@H]1CC[C@@H](NCc2cnc(C3CC3)o2)C[C@@H]1C ZINC000449705755 202004504 /nfs/dbraw/zinc/00/45/04/202004504.db2.gz LAUARKCKRHKZEG-NTZNESFSSA-N 0 3 248.370 3.466 20 0 BGADHN C[C@@H]1CC[C@H](NCc2cnc(C3CC3)o2)C[C@H]1C ZINC000449705756 202005300 /nfs/dbraw/zinc/00/53/00/202005300.db2.gz LAUARKCKRHKZEG-WZRBSPASSA-N 0 3 248.370 3.466 20 0 BGADHN CC1(C)CCC[C@H]1NCc1cnc(C2CC2)o1 ZINC000449705795 202004369 /nfs/dbraw/zinc/00/43/69/202004369.db2.gz LEAICURGXHCAJD-GFCCVEGCSA-N 0 3 234.343 3.220 20 0 BGADHN CC1(C)CCC[C@@H]1NCc1cnc(C2CC2)o1 ZINC000449705796 202005525 /nfs/dbraw/zinc/00/55/25/202005525.db2.gz LEAICURGXHCAJD-LBPRGKRZSA-N 0 3 234.343 3.220 20 0 BGADHN COc1c(O)cccc1CN[C@H](C)C1CCCC1 ZINC000449705871 202004338 /nfs/dbraw/zinc/00/43/38/202004338.db2.gz LKFVSHRDAYDWEG-LLVKDONJSA-N 0 3 249.354 3.069 20 0 BGADHN CC(C)CCCNCc1cnc(C2CC2)o1 ZINC000449706052 202007260 /nfs/dbraw/zinc/00/72/60/202007260.db2.gz LXABYGGBQSXHRE-UHFFFAOYSA-N 0 3 222.332 3.078 20 0 BGADHN CC(C)[C@H]1CC[C@H]1NCc1cnc(C2CC2)o1 ZINC000449706084 202007531 /nfs/dbraw/zinc/00/75/31/202007531.db2.gz MFRILVSUNMMZKD-CHWSQXEVSA-N 0 3 234.343 3.076 20 0 BGADHN CC(C)[C@H]1CC[C@@H]1NCc1cnc(C2CC2)o1 ZINC000449706085 202006689 /nfs/dbraw/zinc/00/66/89/202006689.db2.gz MFRILVSUNMMZKD-OLZOCXBDSA-N 0 3 234.343 3.076 20 0 BGADHN CC(C)[C@@H]1CC[C@H]1NCc1cnc(C2CC2)o1 ZINC000449706086 202006618 /nfs/dbraw/zinc/00/66/18/202006618.db2.gz MFRILVSUNMMZKD-QWHCGFSZSA-N 0 3 234.343 3.076 20 0 BGADHN CC(C)[C@@H]1CC[C@@H]1NCc1cnc(C2CC2)o1 ZINC000449706087 202007768 /nfs/dbraw/zinc/00/77/68/202007768.db2.gz MFRILVSUNMMZKD-STQMWFEESA-N 0 3 234.343 3.076 20 0 BGADHN C[C@@H]1CC[C@@H](C)[C@@H](NCc2cnc(C3CC3)o2)C1 ZINC000449706266 202006294 /nfs/dbraw/zinc/00/62/94/202006294.db2.gz MVLWARUJLBVHOI-GYSYKLTISA-N 0 3 248.370 3.466 20 0 BGADHN C[C@@H]1CC[C@@H](C)[C@H](NCc2cnc(C3CC3)o2)C1 ZINC000449706267 202006266 /nfs/dbraw/zinc/00/62/66/202006266.db2.gz MVLWARUJLBVHOI-JTNHKYCSSA-N 0 3 248.370 3.466 20 0 BGADHN C[C@@H]1CC[C@H](C)[C@@H](NCc2cnc(C3CC3)o2)C1 ZINC000449706268 202006001 /nfs/dbraw/zinc/00/60/01/202006001.db2.gz MVLWARUJLBVHOI-SUNKGSAMSA-N 0 3 248.370 3.466 20 0 BGADHN C[C@@H]1CC[C@H](C)[C@H](NCc2cnc(C3CC3)o2)C1 ZINC000449706269 202006389 /nfs/dbraw/zinc/00/63/89/202006389.db2.gz MVLWARUJLBVHOI-UHIISALHSA-N 0 3 248.370 3.466 20 0 BGADHN C[C@@H](NCc1cnc(C2CC2)o1)[C@H]1CC1(C)C ZINC000449706405 385004055 /nfs/dbraw/zinc/00/40/55/385004055.db2.gz NBTLTODWBCORHG-BXKDBHETSA-N 0 3 234.343 3.076 20 0 BGADHN C[C@H](NCc1cnc(C2CC2)o1)[C@@H]1CC1(C)C ZINC000449706406 385003877 /nfs/dbraw/zinc/00/38/77/385003877.db2.gz NBTLTODWBCORHG-CABZTGNLSA-N 0 3 234.343 3.076 20 0 BGADHN C[C@H](NCc1cnc(C2CC2)o1)[C@H]1CC1(C)C ZINC000449706407 385004681 /nfs/dbraw/zinc/00/46/81/385004681.db2.gz NBTLTODWBCORHG-JOYOIKCWSA-N 0 3 234.343 3.076 20 0 BGADHN C[C@@H](NCc1cnc(C2CC2)o1)[C@@H]1CC1(C)C ZINC000449706408 385003219 /nfs/dbraw/zinc/00/32/19/385003219.db2.gz NBTLTODWBCORHG-SKDRFNHKSA-N 0 3 234.343 3.076 20 0 BGADHN C[C@H](NCc1cnc(C2CC2)o1)C1CCCC1 ZINC000449706416 202006259 /nfs/dbraw/zinc/00/62/59/202006259.db2.gz NCUSBOMOJQLXFJ-JTQLQIEISA-N 0 3 234.343 3.220 20 0 BGADHN C[C@@H](NCc1cnc(C2CC2)o1)C1CCCC1 ZINC000449706417 202007517 /nfs/dbraw/zinc/00/75/17/202007517.db2.gz NCUSBOMOJQLXFJ-SNVBAGLBSA-N 0 3 234.343 3.220 20 0 BGADHN CCC[C@@H](CC)NCc1cnc(C2CC2)o1 ZINC000449706849 202007812 /nfs/dbraw/zinc/00/78/12/202007812.db2.gz OUVHFEDZERNPCI-LLVKDONJSA-N 0 3 222.332 3.220 20 0 BGADHN CCC[C@H](CC)NCc1cnc(C2CC2)o1 ZINC000449706850 202007032 /nfs/dbraw/zinc/00/70/32/202007032.db2.gz OUVHFEDZERNPCI-NSHDSACASA-N 0 3 222.332 3.220 20 0 BGADHN c1nc(C2CC2)oc1CN[C@H]1CC[C@H]1C1CCC1 ZINC000449707361 202005966 /nfs/dbraw/zinc/00/59/66/202005966.db2.gz QOVFPSHZNRGTMH-KBPBESRZSA-N 0 3 246.354 3.220 20 0 BGADHN c1nc(C2CC2)oc1CN[C@H]1CC[C@@H]1C1CCC1 ZINC000449707362 202006527 /nfs/dbraw/zinc/00/65/27/202006527.db2.gz QOVFPSHZNRGTMH-KGLIPLIRSA-N 0 3 246.354 3.220 20 0 BGADHN c1nc(C2CC2)oc1CN[C@@H]1CC[C@H]1C1CCC1 ZINC000449707363 202006106 /nfs/dbraw/zinc/00/61/06/202006106.db2.gz QOVFPSHZNRGTMH-UONOGXRCSA-N 0 3 246.354 3.220 20 0 BGADHN c1nc(C2CC2)oc1CN[C@@H]1CC[C@@H]1C1CCC1 ZINC000449707364 202006230 /nfs/dbraw/zinc/00/62/30/202006230.db2.gz QOVFPSHZNRGTMH-ZIAGYGMSSA-N 0 3 246.354 3.220 20 0 BGADHN C[C@@H]1CCC[C@H](NCc2cnc(C3CC3)o2)[C@@H]1C ZINC000449707520 202006930 /nfs/dbraw/zinc/00/69/30/202006930.db2.gz RHQCHWVHGWDOLZ-GYSYKLTISA-N 0 3 248.370 3.466 20 0 BGADHN C[C@@H]1CCC[C@@H](NCc2cnc(C3CC3)o2)[C@@H]1C ZINC000449707521 202006464 /nfs/dbraw/zinc/00/64/64/202006464.db2.gz RHQCHWVHGWDOLZ-JTNHKYCSSA-N 0 3 248.370 3.466 20 0 BGADHN C[C@@H]1CCC[C@H](NCc2cnc(C3CC3)o2)[C@H]1C ZINC000449707522 385006978 /nfs/dbraw/zinc/00/69/78/385006978.db2.gz RHQCHWVHGWDOLZ-SUNKGSAMSA-N 0 3 248.370 3.466 20 0 BGADHN C[C@@H]1CCC[C@@H](NCc2cnc(C3CC3)o2)[C@H]1C ZINC000449707523 385006859 /nfs/dbraw/zinc/00/68/59/385006859.db2.gz RHQCHWVHGWDOLZ-UHIISALHSA-N 0 3 248.370 3.466 20 0 BGADHN C[C@]12C[C@H]1CCC[C@H]2NCc1cnc(C2CC2)o1 ZINC000449707918 202007008 /nfs/dbraw/zinc/00/70/08/202007008.db2.gz SQBZJRYAKKDGNZ-KYOSRNDESA-N 0 3 246.354 3.220 20 0 BGADHN C[C@]12C[C@H]1CCC[C@@H]2NCc1cnc(C2CC2)o1 ZINC000449707921 385011320 /nfs/dbraw/zinc/01/13/20/385011320.db2.gz SQBZJRYAKKDGNZ-ZLDLUXBVSA-N 0 3 246.354 3.220 20 0 BGADHN c1nc(C2CC2)oc1CN[C@H]1CCC[C@H]1C1CC1 ZINC000449707999 202006224 /nfs/dbraw/zinc/00/62/24/202006224.db2.gz TWWUUPCXBDPQPU-KBPBESRZSA-N 0 3 246.354 3.220 20 0 BGADHN c1nc(C2CC2)oc1CN[C@H]1CCC[C@@H]1C1CC1 ZINC000449708100 202007832 /nfs/dbraw/zinc/00/78/32/202007832.db2.gz TWWUUPCXBDPQPU-KGLIPLIRSA-N 0 3 246.354 3.220 20 0 BGADHN c1nc(C2CC2)oc1CN[C@@H]1CCC[C@H]1C1CC1 ZINC000449708101 202006425 /nfs/dbraw/zinc/00/64/25/202006425.db2.gz TWWUUPCXBDPQPU-UONOGXRCSA-N 0 3 246.354 3.220 20 0 BGADHN c1nc(C2CC2)oc1CN[C@@H]1CCC[C@@H]1C1CC1 ZINC000449708102 202006099 /nfs/dbraw/zinc/00/60/99/202006099.db2.gz TWWUUPCXBDPQPU-ZIAGYGMSSA-N 0 3 246.354 3.220 20 0 BGADHN c1nc(C2CC2)oc1CNC1CCC2(CC2)CC1 ZINC000449708712 202006633 /nfs/dbraw/zinc/00/66/33/202006633.db2.gz WCAUYLBZAHSZGF-UHFFFAOYSA-N 0 3 246.354 3.364 20 0 BGADHN C[C@@H](CCC1CC1)NCc1cnc(C2CC2)o1 ZINC000449708749 202007622 /nfs/dbraw/zinc/00/76/22/202007622.db2.gz WISILTPMZZZWBN-JTQLQIEISA-N 0 3 234.343 3.220 20 0 BGADHN C[C@H](CCC1CC1)NCc1cnc(C2CC2)o1 ZINC000449708750 202006664 /nfs/dbraw/zinc/00/66/64/202006664.db2.gz WISILTPMZZZWBN-SNVBAGLBSA-N 0 3 234.343 3.220 20 0 BGADHN c1nc(C2CC2)oc1CN[C@@H]1CCCC12CCC2 ZINC000449708764 385018415 /nfs/dbraw/zinc/01/84/15/385018415.db2.gz WKVCPWBRODYFMJ-CYBMUJFWSA-N 0 3 246.354 3.364 20 0 BGADHN c1nc(C2CC2)oc1CN[C@H]1CCCC12CCC2 ZINC000449708765 385018600 /nfs/dbraw/zinc/01/86/00/385018600.db2.gz WKVCPWBRODYFMJ-ZDUSSCGKSA-N 0 3 246.354 3.364 20 0 BGADHN CC[C@@H](NCc1cnc(C2CC2)o1)C(C)C ZINC000449708861 202006242 /nfs/dbraw/zinc/00/62/42/202006242.db2.gz WTSNGMXINXWHHQ-GFCCVEGCSA-N 0 3 222.332 3.076 20 0 BGADHN CC[C@H](NCc1cnc(C2CC2)o1)C(C)C ZINC000449708862 202006831 /nfs/dbraw/zinc/00/68/31/202006831.db2.gz WTSNGMXINXWHHQ-LBPRGKRZSA-N 0 3 222.332 3.076 20 0 BGADHN CC[C@@H](C)[C@@H](C)NCc1cnc(C2CC2)o1 ZINC000449709025 385019561 /nfs/dbraw/zinc/01/95/61/385019561.db2.gz XOTGNDXGZABYNG-NXEZZACHSA-N 0 3 222.332 3.076 20 0 BGADHN CC[C@H](C)[C@H](C)NCc1cnc(C2CC2)o1 ZINC000449709026 385022888 /nfs/dbraw/zinc/02/28/88/385022888.db2.gz XOTGNDXGZABYNG-UWVGGRQHSA-N 0 3 222.332 3.076 20 0 BGADHN CC[C@H](C)[C@@H](C)NCc1cnc(C2CC2)o1 ZINC000449709027 385019646 /nfs/dbraw/zinc/01/96/46/385019646.db2.gz XOTGNDXGZABYNG-VHSXEESVSA-N 0 3 222.332 3.076 20 0 BGADHN CC[C@@H](C)[C@H](C)NCc1cnc(C2CC2)o1 ZINC000449709028 385020755 /nfs/dbraw/zinc/02/07/55/385020755.db2.gz XOTGNDXGZABYNG-ZJUUUORDSA-N 0 3 222.332 3.076 20 0 BGADHN CCCC[C@H](C)NCc1cnc(C2CC2)o1 ZINC000449709475 202007180 /nfs/dbraw/zinc/00/71/80/202007180.db2.gz ZLBOXOJFBKHDLM-JTQLQIEISA-N 0 3 222.332 3.220 20 0 BGADHN CCCC[C@@H](C)NCc1cnc(C2CC2)o1 ZINC000449709476 202007291 /nfs/dbraw/zinc/00/72/91/202007291.db2.gz ZLBOXOJFBKHDLM-SNVBAGLBSA-N 0 3 222.332 3.220 20 0 BGADHN C[C@@H]1CCC[C@H](CNCc2cnc(C3CC3)o2)C1 ZINC000449709669 202006560 /nfs/dbraw/zinc/00/65/60/202006560.db2.gz ZZTMQPZUAYVDAG-NEPJUHHUSA-N 0 3 248.370 3.468 20 0 BGADHN C[C@H]1CCC[C@@H](CNCc2cnc(C3CC3)o2)C1 ZINC000449709670 202006787 /nfs/dbraw/zinc/00/67/87/202006787.db2.gz ZZTMQPZUAYVDAG-NWDGAFQWSA-N 0 3 248.370 3.468 20 0 BGADHN C[C@H]1CCC[C@H](CNCc2cnc(C3CC3)o2)C1 ZINC000449709671 202007118 /nfs/dbraw/zinc/00/71/18/202007118.db2.gz ZZTMQPZUAYVDAG-RYUDHWBXSA-N 0 3 248.370 3.468 20 0 BGADHN C[C@@H]1CCC[C@@H](CNCc2cnc(C3CC3)o2)C1 ZINC000449709672 202006912 /nfs/dbraw/zinc/00/69/12/202006912.db2.gz ZZTMQPZUAYVDAG-VXGBXAGGSA-N 0 3 248.370 3.468 20 0 BGADHN CC[C@@H]1CC[C@H](C)N(Cc2cncc(F)c2)C1 ZINC000449714907 202007050 /nfs/dbraw/zinc/00/70/50/202007050.db2.gz DDHJLVJHLKNDMN-NWDGAFQWSA-N 0 3 236.334 3.231 20 0 BGADHN CC[C@@H]1CC[C@H](C)N(Cc2cncs2)C1 ZINC000449716208 202005911 /nfs/dbraw/zinc/00/59/11/202005911.db2.gz FXYZHXVFFXSASW-WDEREUQCSA-N 0 3 224.373 3.154 20 0 BGADHN CC[C@@H]1CC[C@H](C)N(Cc2ccncc2F)C1 ZINC000449717890 202009306 /nfs/dbraw/zinc/00/93/06/202009306.db2.gz IWMWEEVRYPMFCR-NWDGAFQWSA-N 0 3 236.334 3.231 20 0 BGADHN CC[C@@H]1CC[C@H](C)N(Cc2ccnn2C(C)C)C1 ZINC000449723863 385057044 /nfs/dbraw/zinc/05/70/44/385057044.db2.gz RXYKETOHIUFMJR-UONOGXRCSA-N 0 3 249.402 3.475 20 0 BGADHN CCCn1cc(CN2C[C@@H](CC)CC[C@H]2C)cn1 ZINC000449724423 385055943 /nfs/dbraw/zinc/05/59/43/385055943.db2.gz SZFXBTNBPWHMEP-KGLIPLIRSA-N 0 3 249.402 3.304 20 0 BGADHN CC[C@@H]1CC[C@H](C)N(Cc2cnn(C(C)C)c2)C1 ZINC000449725694 202008620 /nfs/dbraw/zinc/00/86/20/202008620.db2.gz VORPGXXZWNFJEA-UONOGXRCSA-N 0 3 249.402 3.475 20 0 BGADHN CC[C@@H]1CC[C@H](C)N(Cc2ncc(C)s2)C1 ZINC000449726064 202009907 /nfs/dbraw/zinc/00/99/07/202009907.db2.gz WKOXEVPPEWAIIA-CMPLNLGQSA-N 0 3 238.400 3.462 20 0 BGADHN CCC[C@@H]1CCCC[C@@H]1CNCc1cc[nH]n1 ZINC000449732497 202011498 /nfs/dbraw/zinc/01/14/98/202011498.db2.gz BGHMCRAFVSGFQZ-CHWSQXEVSA-N 0 3 235.375 3.106 20 0 BGADHN CCC[C@@H]1CCCC[C@H]1CNCc1cc[nH]n1 ZINC000449732500 202011398 /nfs/dbraw/zinc/01/13/98/202011398.db2.gz BGHMCRAFVSGFQZ-OLZOCXBDSA-N 0 3 235.375 3.106 20 0 BGADHN CCC[C@H]1CCCC[C@@H]1CNCc1cc[nH]n1 ZINC000449732502 202011964 /nfs/dbraw/zinc/01/19/64/202011964.db2.gz BGHMCRAFVSGFQZ-QWHCGFSZSA-N 0 3 235.375 3.106 20 0 BGADHN CCC[C@H]1CCCC[C@H]1CNCc1cc[nH]n1 ZINC000449732504 202010541 /nfs/dbraw/zinc/01/05/41/202010541.db2.gz BGHMCRAFVSGFQZ-STQMWFEESA-N 0 3 235.375 3.106 20 0 BGADHN CCC[C@@H]1CCCC[C@@H]1CNCc1ncc[nH]1 ZINC000449732892 202011937 /nfs/dbraw/zinc/01/19/37/202011937.db2.gz FBJAYWFXTXPRIQ-CHWSQXEVSA-N 0 3 235.375 3.106 20 0 BGADHN CCC[C@@H]1CCCC[C@H]1CNCc1ncc[nH]1 ZINC000449732893 202010802 /nfs/dbraw/zinc/01/08/02/202010802.db2.gz FBJAYWFXTXPRIQ-OLZOCXBDSA-N 0 3 235.375 3.106 20 0 BGADHN CCC[C@H]1CCCC[C@@H]1CNCc1ncc[nH]1 ZINC000449732894 202010646 /nfs/dbraw/zinc/01/06/46/202010646.db2.gz FBJAYWFXTXPRIQ-QWHCGFSZSA-N 0 3 235.375 3.106 20 0 BGADHN CCC[C@H]1CCCC[C@H]1CNCc1ncc[nH]1 ZINC000449732895 202011778 /nfs/dbraw/zinc/01/17/78/202011778.db2.gz FBJAYWFXTXPRIQ-STQMWFEESA-N 0 3 235.375 3.106 20 0 BGADHN CCC[C@H]1CCCC[C@H]1CNCc1nccn1C ZINC000449735113 202010524 /nfs/dbraw/zinc/01/05/24/202010524.db2.gz PIKYQIZCRLMPAI-KBPBESRZSA-N 0 3 249.402 3.116 20 0 BGADHN CCC[C@@H]1CCCC[C@H]1CNCc1nccn1C ZINC000449735114 202011045 /nfs/dbraw/zinc/01/10/45/202011045.db2.gz PIKYQIZCRLMPAI-KGLIPLIRSA-N 0 3 249.402 3.116 20 0 BGADHN CCC[C@H]1CCCC[C@@H]1CNCc1nccn1C ZINC000449735115 202010760 /nfs/dbraw/zinc/01/07/60/202010760.db2.gz PIKYQIZCRLMPAI-UONOGXRCSA-N 0 3 249.402 3.116 20 0 BGADHN CCC[C@@H]1CCCC[C@@H]1CNCc1nccn1C ZINC000449735116 202012098 /nfs/dbraw/zinc/01/20/98/202012098.db2.gz PIKYQIZCRLMPAI-ZIAGYGMSSA-N 0 3 249.402 3.116 20 0 BGADHN CCC[C@@H]1CCCC[C@@H]1CNCc1cocn1 ZINC000449735315 385088483 /nfs/dbraw/zinc/08/84/83/385088483.db2.gz QIFMXNYVLUFEIJ-CHWSQXEVSA-N 0 3 236.359 3.371 20 0 BGADHN CCC[C@@H]1CCCC[C@H]1CNCc1cocn1 ZINC000449735316 385090305 /nfs/dbraw/zinc/09/03/05/385090305.db2.gz QIFMXNYVLUFEIJ-OLZOCXBDSA-N 0 3 236.359 3.371 20 0 BGADHN CCC[C@H]1CCCC[C@@H]1CNCc1cocn1 ZINC000449735317 385090524 /nfs/dbraw/zinc/09/05/24/385090524.db2.gz QIFMXNYVLUFEIJ-QWHCGFSZSA-N 0 3 236.359 3.371 20 0 BGADHN CCC[C@H]1CCCC[C@H]1CNCc1cocn1 ZINC000449735318 385090616 /nfs/dbraw/zinc/09/06/16/385090616.db2.gz QIFMXNYVLUFEIJ-STQMWFEESA-N 0 3 236.359 3.371 20 0 BGADHN Cc1cccc(CNC[C@@H]2C[C@H]2C2CC2)c1F ZINC000449741343 202015696 /nfs/dbraw/zinc/01/56/96/202015696.db2.gz JXNJIIYZPVZWGQ-KBPBESRZSA-N 0 3 233.330 3.270 20 0 BGADHN Cc1ccnc([C@H](C)NC[C@@H]2C[C@H]2C2CC2)c1 ZINC000449742222 202016634 /nfs/dbraw/zinc/01/66/34/202016634.db2.gz NPOBXSHMCNAZRN-UBHSHLNASA-N 0 3 230.355 3.087 20 0 BGADHN Cc1ccnc([C@@H](C)NC[C@@H]2C[C@H]2C2CC2)c1 ZINC000449742224 202016867 /nfs/dbraw/zinc/01/68/67/202016867.db2.gz NPOBXSHMCNAZRN-XBFCOCLRSA-N 0 3 230.355 3.087 20 0 BGADHN Fc1cccc(F)c1CNC[C@@H]1C[C@H]1C1CC1 ZINC000449742865 202017913 /nfs/dbraw/zinc/01/79/13/202017913.db2.gz RTTYFSCRLHILEU-QWRGUYRKSA-N 0 3 237.293 3.101 20 0 BGADHN Fc1ccc(F)c(CNC[C@@H]2C[C@H]2C2CC2)c1 ZINC000449742993 202017928 /nfs/dbraw/zinc/01/79/28/202017928.db2.gz TUDCYDGPGLPWGX-GWCFXTLKSA-N 0 3 237.293 3.101 20 0 BGADHN Cc1ccc(F)c(CNC[C@@H]2C[C@H]2C2CC2)c1 ZINC000449743566 202019045 /nfs/dbraw/zinc/01/90/45/202019045.db2.gz ZATRCFUCIDJLMN-JSGCOSHPSA-N 0 3 233.330 3.270 20 0 BGADHN c1sc(C2CC2)nc1CNC[C@@H]1C[C@H]1C1CC1 ZINC000449743612 202018020 /nfs/dbraw/zinc/01/80/20/202018020.db2.gz ZOQVPNJZKRGRDG-AAEUAGOBSA-N 0 3 248.395 3.156 20 0 BGADHN Cc1nocc1CNC[C@@H]1CCCC(C)(C)C1 ZINC000449744895 202018361 /nfs/dbraw/zinc/01/83/61/202018361.db2.gz AGFKTFZJDAXOGJ-GFCCVEGCSA-N 0 3 236.359 3.289 20 0 BGADHN Cc1nocc1CNC[C@H]1CCCC(C)(C)C1 ZINC000449744896 385129932 /nfs/dbraw/zinc/12/99/32/385129932.db2.gz AGFKTFZJDAXOGJ-LBPRGKRZSA-N 0 3 236.359 3.289 20 0 BGADHN COc1cccnc1CN[C@H](C)CCC=C(C)C ZINC000449745167 202018609 /nfs/dbraw/zinc/01/86/09/202018609.db2.gz BFUSAYMVQOTLDN-CYBMUJFWSA-N 0 3 248.370 3.315 20 0 BGADHN COc1cccnc1CN[C@@H](C)CCC=C(C)C ZINC000449745169 202018030 /nfs/dbraw/zinc/01/80/30/202018030.db2.gz BFUSAYMVQOTLDN-ZDUSSCGKSA-N 0 3 248.370 3.315 20 0 BGADHN COc1cccnc1CN[C@H](C)CC1CCCC1 ZINC000449745178 385129134 /nfs/dbraw/zinc/12/91/34/385129134.db2.gz BHNPZJYSWHJLKD-GFCCVEGCSA-N 0 3 248.370 3.149 20 0 BGADHN COc1cccnc1CN[C@@H](C)CC1CCCC1 ZINC000449745180 385130967 /nfs/dbraw/zinc/13/09/67/385130967.db2.gz BHNPZJYSWHJLKD-LBPRGKRZSA-N 0 3 248.370 3.149 20 0 BGADHN COc1cccnc1CN[C@H](C)CC(C)(C)C ZINC000449745620 202017587 /nfs/dbraw/zinc/01/75/87/202017587.db2.gz CMRWYUMSWVSWSQ-LLVKDONJSA-N 0 3 236.359 3.005 20 0 BGADHN COc1cccnc1CN[C@@H](C)CC(C)(C)C ZINC000449745621 202017567 /nfs/dbraw/zinc/01/75/67/202017567.db2.gz CMRWYUMSWVSWSQ-NSHDSACASA-N 0 3 236.359 3.005 20 0 BGADHN COc1cccnc1CN[C@@H]1CCCC(C)(C)C1 ZINC000449746121 385129980 /nfs/dbraw/zinc/12/99/80/385129980.db2.gz DVSSFEUUTHKBRK-GFCCVEGCSA-N 0 3 248.370 3.149 20 0 BGADHN COc1cccnc1CN[C@H]1CCCC(C)(C)C1 ZINC000449746136 200700261 /nfs/dbraw/zinc/70/02/61/200700261.db2.gz DVSSFEUUTHKBRK-LBPRGKRZSA-N 0 3 248.370 3.149 20 0 BGADHN COc1cccnc1CNC[C@@H]1CCC[C@@H](C)C1 ZINC000449746365 202018741 /nfs/dbraw/zinc/01/87/41/202018741.db2.gz FNKYJSDIRHRJSS-CHWSQXEVSA-N 0 3 248.370 3.006 20 0 BGADHN COc1cccnc1CNC[C@H]1CCC[C@@H](C)C1 ZINC000449746366 202019008 /nfs/dbraw/zinc/01/90/08/202019008.db2.gz FNKYJSDIRHRJSS-OLZOCXBDSA-N 0 3 248.370 3.006 20 0 BGADHN COc1cccnc1CNC[C@@H]1CCC[C@H](C)C1 ZINC000449746367 202017935 /nfs/dbraw/zinc/01/79/35/202017935.db2.gz FNKYJSDIRHRJSS-QWHCGFSZSA-N 0 3 248.370 3.006 20 0 BGADHN COc1cccnc1CNC[C@H]1CCC[C@H](C)C1 ZINC000449746368 202017970 /nfs/dbraw/zinc/01/79/70/202017970.db2.gz FNKYJSDIRHRJSS-STQMWFEESA-N 0 3 248.370 3.006 20 0 BGADHN COc1cccnc1CNCC1CCCCCC1 ZINC000449746585 202018758 /nfs/dbraw/zinc/01/87/58/202018758.db2.gz GNPCEHILZPCLGV-UHFFFAOYSA-N 0 3 248.370 3.150 20 0 BGADHN COc1cccnc1CNCCC1CCCCC1 ZINC000449746679 202018329 /nfs/dbraw/zinc/01/83/29/202018329.db2.gz GWNYXTVGRAONPN-UHFFFAOYSA-N 0 3 248.370 3.150 20 0 BGADHN COc1cccnc1CN[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000449746937 202017561 /nfs/dbraw/zinc/01/75/61/202017561.db2.gz HMHLDSCFGHEHTE-FRRDWIJNSA-N 0 3 248.370 3.005 20 0 BGADHN COc1cccnc1CN[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000449746938 202017840 /nfs/dbraw/zinc/01/78/40/202017840.db2.gz HMHLDSCFGHEHTE-JHJVBQTASA-N 0 3 248.370 3.005 20 0 BGADHN COc1cccnc1CN[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000449746939 202017284 /nfs/dbraw/zinc/01/72/84/202017284.db2.gz HMHLDSCFGHEHTE-RWMBFGLXSA-N 0 3 248.370 3.005 20 0 BGADHN COc1cccnc1CN[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000449746940 202018705 /nfs/dbraw/zinc/01/87/05/202018705.db2.gz HMHLDSCFGHEHTE-YNEHKIRRSA-N 0 3 248.370 3.005 20 0 BGADHN COc1cccnc1CNCC1CCC(C)CC1 ZINC000449747126 202018283 /nfs/dbraw/zinc/01/82/83/202018283.db2.gz IDZJOGLXWKGANM-UHFFFAOYSA-N 0 3 248.370 3.006 20 0 BGADHN CCCC(CCC)NCc1ncccc1OC ZINC000449748255 202020027 /nfs/dbraw/zinc/02/00/27/202020027.db2.gz KYENVTULSGRKMO-UHFFFAOYSA-N 0 3 236.359 3.149 20 0 BGADHN CC[C@@H]1CCC[C@@H](NCc2ncccc2OC)C1 ZINC000449748352 202019832 /nfs/dbraw/zinc/01/98/32/202019832.db2.gz LOFLNVVFQBDIIE-CHWSQXEVSA-N 0 3 248.370 3.149 20 0 BGADHN CC[C@@H]1CCC[C@H](NCc2ncccc2OC)C1 ZINC000449748353 202021244 /nfs/dbraw/zinc/02/12/44/202021244.db2.gz LOFLNVVFQBDIIE-OLZOCXBDSA-N 0 3 248.370 3.149 20 0 BGADHN CC[C@H]1CCC[C@@H](NCc2ncccc2OC)C1 ZINC000449748354 202020668 /nfs/dbraw/zinc/02/06/68/202020668.db2.gz LOFLNVVFQBDIIE-QWHCGFSZSA-N 0 3 248.370 3.149 20 0 BGADHN CC[C@H]1CCC[C@H](NCc2ncccc2OC)C1 ZINC000449748355 385130358 /nfs/dbraw/zinc/13/03/58/385130358.db2.gz LOFLNVVFQBDIIE-STQMWFEESA-N 0 3 248.370 3.149 20 0 BGADHN Cc1cnc(CNC[C@@H]2CCCC(C)(C)C2)n1C ZINC000449748405 202020726 /nfs/dbraw/zinc/02/07/26/202020726.db2.gz LZKZVUFNJKDUEG-CYBMUJFWSA-N 0 3 249.402 3.035 20 0 BGADHN Cc1cnc(CNC[C@H]2CCCC(C)(C)C2)n1C ZINC000449748406 202020465 /nfs/dbraw/zinc/02/04/65/202020465.db2.gz LZKZVUFNJKDUEG-ZDUSSCGKSA-N 0 3 249.402 3.035 20 0 BGADHN COc1cccnc1CN[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000449748462 202020163 /nfs/dbraw/zinc/02/01/63/202020163.db2.gz MKHYPVQCFNNMNG-FRRDWIJNSA-N 0 3 248.370 3.005 20 0 BGADHN COc1cccnc1CN[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000449748463 202021503 /nfs/dbraw/zinc/02/15/03/202021503.db2.gz MKHYPVQCFNNMNG-JHJVBQTASA-N 0 3 248.370 3.005 20 0 BGADHN COc1cccnc1CN[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000449748464 385144142 /nfs/dbraw/zinc/14/41/42/385144142.db2.gz MKHYPVQCFNNMNG-RWMBFGLXSA-N 0 3 248.370 3.005 20 0 BGADHN COc1cccnc1CN[C@@H]1CCC[C@H](C)[C@H]1C ZINC000449748465 385143144 /nfs/dbraw/zinc/14/31/44/385143144.db2.gz MKHYPVQCFNNMNG-YNEHKIRRSA-N 0 3 248.370 3.005 20 0 BGADHN COc1cccnc1CN[C@H](C)CCC(C)C ZINC000449748978 202020832 /nfs/dbraw/zinc/02/08/32/202020832.db2.gz OAAFHTHPXOFMER-GFCCVEGCSA-N 0 3 236.359 3.005 20 0 BGADHN COc1cccnc1CN[C@@H](C)CCC(C)C ZINC000449748979 202020270 /nfs/dbraw/zinc/02/02/70/202020270.db2.gz OAAFHTHPXOFMER-LBPRGKRZSA-N 0 3 236.359 3.005 20 0 BGADHN COc1cccnc1CN[C@H](C)C1CCCCC1 ZINC000449748988 202020157 /nfs/dbraw/zinc/02/01/57/202020157.db2.gz OBRDVVUFXJZRSN-GFCCVEGCSA-N 0 3 248.370 3.149 20 0 BGADHN COc1cccnc1CN[C@@H](C)C1CCCCC1 ZINC000449748989 202019610 /nfs/dbraw/zinc/01/96/10/202019610.db2.gz OBRDVVUFXJZRSN-LBPRGKRZSA-N 0 3 248.370 3.149 20 0 BGADHN CCCC[C@@H](CC)NCc1ncccc1OC ZINC000449749634 202020149 /nfs/dbraw/zinc/02/01/49/202020149.db2.gz QCIDMAVHJXHFAG-GFCCVEGCSA-N 0 3 236.359 3.149 20 0 BGADHN CCCC[C@H](CC)NCc1ncccc1OC ZINC000449749635 202019722 /nfs/dbraw/zinc/01/97/22/202019722.db2.gz QCIDMAVHJXHFAG-LBPRGKRZSA-N 0 3 236.359 3.149 20 0 BGADHN Cc1c[nH]nc1CNC[C@@H]1CCCC(C)(C)C1 ZINC000449749651 202020116 /nfs/dbraw/zinc/02/01/16/202020116.db2.gz QDRJMDVXHPUJHZ-GFCCVEGCSA-N 0 3 235.375 3.024 20 0 BGADHN Cc1c[nH]nc1CNC[C@H]1CCCC(C)(C)C1 ZINC000449749652 202020894 /nfs/dbraw/zinc/02/08/94/202020894.db2.gz QDRJMDVXHPUJHZ-LBPRGKRZSA-N 0 3 235.375 3.024 20 0 BGADHN COc1cccnc1CN[C@H]1CC(C)(C)C[C@H]1C ZINC000449749786 202019399 /nfs/dbraw/zinc/01/93/99/202019399.db2.gz QKEWTMIYDZMVPL-NEPJUHHUSA-N 0 3 248.370 3.005 20 0 BGADHN COc1cccnc1CN[C@@H]1CC(C)(C)C[C@@H]1C ZINC000449749787 202020199 /nfs/dbraw/zinc/02/01/99/202020199.db2.gz QKEWTMIYDZMVPL-NWDGAFQWSA-N 0 3 248.370 3.005 20 0 BGADHN COc1cccnc1CN[C@H]1CC(C)(C)C[C@@H]1C ZINC000449749788 202020500 /nfs/dbraw/zinc/02/05/00/202020500.db2.gz QKEWTMIYDZMVPL-RYUDHWBXSA-N 0 3 248.370 3.005 20 0 BGADHN COc1cccnc1CN[C@@H]1CC(C)(C)C[C@H]1C ZINC000449749789 202020902 /nfs/dbraw/zinc/02/09/02/202020902.db2.gz QKEWTMIYDZMVPL-VXGBXAGGSA-N 0 3 248.370 3.005 20 0 BGADHN COc1cccnc1CNC1CCC(C)(C)CC1 ZINC000449750010 202019468 /nfs/dbraw/zinc/01/94/68/202019468.db2.gz RSLULKPIQWRHSY-UHFFFAOYSA-N 0 3 248.370 3.149 20 0 BGADHN COc1cccnc1CN[C@@H]1CCC[C@@H]1C(C)C ZINC000449750085 385148891 /nfs/dbraw/zinc/14/88/91/385148891.db2.gz SHFZYCSEIKPOOI-CHWSQXEVSA-N 0 3 248.370 3.005 20 0 BGADHN COc1cccnc1CN[C@H]1CCC[C@@H]1C(C)C ZINC000449750086 385146799 /nfs/dbraw/zinc/14/67/99/385146799.db2.gz SHFZYCSEIKPOOI-OLZOCXBDSA-N 0 3 248.370 3.005 20 0 BGADHN COc1cccnc1CN[C@@H]1CCC[C@H]1C(C)C ZINC000449750087 385148049 /nfs/dbraw/zinc/14/80/49/385148049.db2.gz SHFZYCSEIKPOOI-QWHCGFSZSA-N 0 3 248.370 3.005 20 0 BGADHN COc1cccnc1CN[C@H]1CCC[C@H]1C(C)C ZINC000449750088 385148698 /nfs/dbraw/zinc/14/86/98/385148698.db2.gz SHFZYCSEIKPOOI-STQMWFEESA-N 0 3 248.370 3.005 20 0 BGADHN CC[C@@H](NCc1ncccc1OC)C1CCCC1 ZINC000449750315 202019336 /nfs/dbraw/zinc/01/93/36/202019336.db2.gz UDCLRSRPOVYRTM-CYBMUJFWSA-N 0 3 248.370 3.149 20 0 BGADHN CC[C@H](NCc1ncccc1OC)C1CCCC1 ZINC000449750316 202020536 /nfs/dbraw/zinc/02/05/36/202020536.db2.gz UDCLRSRPOVYRTM-ZDUSSCGKSA-N 0 3 248.370 3.149 20 0 BGADHN COc1cccnc1CN[C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000449750722 202020521 /nfs/dbraw/zinc/02/05/21/202020521.db2.gz VZJRZWSOSYTDMF-FRRDWIJNSA-N 0 3 248.370 3.005 20 0 BGADHN COc1cccnc1CN[C@@H]1CC[C@@H](C)C[C@H]1C ZINC000449750723 385148629 /nfs/dbraw/zinc/14/86/29/385148629.db2.gz VZJRZWSOSYTDMF-JHJVBQTASA-N 0 3 248.370 3.005 20 0 BGADHN COc1cccnc1CN[C@@H]1CC[C@H](C)C[C@@H]1C ZINC000449750724 385147412 /nfs/dbraw/zinc/14/74/12/385147412.db2.gz VZJRZWSOSYTDMF-RWMBFGLXSA-N 0 3 248.370 3.005 20 0 BGADHN COc1cccnc1CN[C@@H]1CC[C@H](C)C[C@H]1C ZINC000449750725 385146605 /nfs/dbraw/zinc/14/66/05/385146605.db2.gz VZJRZWSOSYTDMF-YNEHKIRRSA-N 0 3 248.370 3.005 20 0 BGADHN COc1cccnc1CN[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000449750848 202021288 /nfs/dbraw/zinc/02/12/88/202021288.db2.gz WUPWRNYZCZNHDY-ITGUQSILSA-N 0 3 248.370 3.005 20 0 BGADHN COc1cccnc1CNC1C[C@@H](C)C[C@H](C)C1 ZINC000449750849 202020973 /nfs/dbraw/zinc/02/09/73/202020973.db2.gz WUPWRNYZCZNHDY-RYUDHWBXSA-N 0 3 248.370 3.005 20 0 BGADHN COc1cccnc1CNC1C[C@H](C)C[C@@H](C)C1 ZINC000449750850 202020243 /nfs/dbraw/zinc/02/02/43/202020243.db2.gz WUPWRNYZCZNHDY-VXGBXAGGSA-N 0 3 248.370 3.005 20 0 BGADHN COc1cccnc1CNC[C@H]1CCCC[C@H]1C ZINC000449751073 202021459 /nfs/dbraw/zinc/02/14/59/202021459.db2.gz XIGNDYPCPUPEHU-CHWSQXEVSA-N 0 3 248.370 3.006 20 0 BGADHN COc1cccnc1CNC[C@@H]1CCCC[C@H]1C ZINC000449751074 202020413 /nfs/dbraw/zinc/02/04/13/202020413.db2.gz XIGNDYPCPUPEHU-OLZOCXBDSA-N 0 3 248.370 3.006 20 0 BGADHN COc1cccnc1CNC[C@H]1CCCC[C@@H]1C ZINC000449751075 202021406 /nfs/dbraw/zinc/02/14/06/202021406.db2.gz XIGNDYPCPUPEHU-QWHCGFSZSA-N 0 3 248.370 3.006 20 0 BGADHN COc1cccnc1CNC[C@@H]1CCCC[C@@H]1C ZINC000449751076 202020705 /nfs/dbraw/zinc/02/07/05/202020705.db2.gz XIGNDYPCPUPEHU-STQMWFEESA-N 0 3 248.370 3.006 20 0 BGADHN COc1cccnc1CN[C@@H]1C[C@H](C)CC[C@@H]1C ZINC000449751826 202020171 /nfs/dbraw/zinc/02/01/71/202020171.db2.gz ZHMPPVPDEVSPCQ-FRRDWIJNSA-N 0 3 248.370 3.005 20 0 BGADHN COc1cccnc1CN[C@@H]1C[C@H](C)CC[C@H]1C ZINC000449751827 202021276 /nfs/dbraw/zinc/02/12/76/202021276.db2.gz ZHMPPVPDEVSPCQ-JHJVBQTASA-N 0 3 248.370 3.005 20 0 BGADHN COc1cccnc1CN[C@@H]1C[C@@H](C)CC[C@@H]1C ZINC000449751828 202020816 /nfs/dbraw/zinc/02/08/16/202020816.db2.gz ZHMPPVPDEVSPCQ-RWMBFGLXSA-N 0 3 248.370 3.005 20 0 BGADHN COc1cccnc1CN[C@@H]1C[C@@H](C)CC[C@H]1C ZINC000449751829 398340116 /nfs/dbraw/zinc/34/01/16/398340116.db2.gz ZHMPPVPDEVSPCQ-YNEHKIRRSA-N 0 3 248.370 3.005 20 0 BGADHN CCC1CCC(NCc2ncccc2OC)CC1 ZINC000449751851 202020081 /nfs/dbraw/zinc/02/00/81/202020081.db2.gz ZJLZSNGYSQGBQH-UHFFFAOYSA-N 0 3 248.370 3.149 20 0 BGADHN COc1c(O)cccc1CN[C@@H](C)C1CCCC1 ZINC000449754246 202022596 /nfs/dbraw/zinc/02/25/96/202022596.db2.gz LKFVSHRDAYDWEG-NSHDSACASA-N 0 3 249.354 3.069 20 0 BGADHN CCO[C@@H]1CCC[C@H]1NCc1ccsc1C ZINC000449754356 202023200 /nfs/dbraw/zinc/02/32/00/202023200.db2.gz JEYWLMOBWOOHBB-CHWSQXEVSA-N 0 3 239.384 3.104 20 0 BGADHN CCO[C@@H]1CCCC[C@H]1NCc1occc1C ZINC000449758285 202023594 /nfs/dbraw/zinc/02/35/94/202023594.db2.gz FVJOZIZVXCVXGW-CHWSQXEVSA-N 0 3 237.343 3.025 20 0 BGADHN COC[C@H]1CCCCN1Cc1ccsc1C ZINC000449758564 202025226 /nfs/dbraw/zinc/02/52/26/202025226.db2.gz GQNXKQJTQRXDKM-CYBMUJFWSA-N 0 3 239.384 3.057 20 0 BGADHN COC[C@@H]1CCCCN1Cc1ccsc1C ZINC000449758565 202024103 /nfs/dbraw/zinc/02/41/03/202024103.db2.gz GQNXKQJTQRXDKM-ZDUSSCGKSA-N 0 3 239.384 3.057 20 0 BGADHN CCO[C@@H]1CCCC[C@H]1N[C@H](C)c1ccccn1 ZINC000449758600 202024553 /nfs/dbraw/zinc/02/45/53/202024553.db2.gz GXXJYERBSMBTHB-BPLDGKMQSA-N 0 3 248.370 3.080 20 0 BGADHN CCO[C@@H]1CCCC[C@H]1N[C@@H](C)c1ccccn1 ZINC000449758601 202024383 /nfs/dbraw/zinc/02/43/83/202024383.db2.gz GXXJYERBSMBTHB-NWANDNLSSA-N 0 3 248.370 3.080 20 0 BGADHN CCO[C@@H]1CCC[C@H]1NCc1csc(C)c1 ZINC000449758777 202024788 /nfs/dbraw/zinc/02/47/88/202024788.db2.gz VZUOPZQIKBXLCX-CHWSQXEVSA-N 0 3 239.384 3.104 20 0 BGADHN CCO[C@@H]1CCCC[C@H]1NCc1ccc(C)o1 ZINC000449760240 202025251 /nfs/dbraw/zinc/02/52/51/202025251.db2.gz NBPIAHFGDOPPRN-ZIAGYGMSSA-N 0 3 237.343 3.025 20 0 BGADHN COC[C@H]1CCCCN1Cc1csc(C)c1 ZINC000449760431 202024561 /nfs/dbraw/zinc/02/45/61/202024561.db2.gz OOZKRYKXZFZGOK-CYBMUJFWSA-N 0 3 239.384 3.057 20 0 BGADHN COC[C@@H]1CCCCN1Cc1csc(C)c1 ZINC000449760432 202023941 /nfs/dbraw/zinc/02/39/41/202023941.db2.gz OOZKRYKXZFZGOK-ZDUSSCGKSA-N 0 3 239.384 3.057 20 0 BGADHN COC[C@@H]1CCCCN1C/C=C\c1ccccc1 ZINC000449760819 385161151 /nfs/dbraw/zinc/16/11/51/385161151.db2.gz RPOASHKXNZUUOX-BJIFSAINSA-N 0 3 245.366 3.201 20 0 BGADHN COC[C@H]1CCCCN1C/C=C\c1ccccc1 ZINC000449760820 385163231 /nfs/dbraw/zinc/16/32/31/385163231.db2.gz RPOASHKXNZUUOX-BSDKJSHOSA-N 0 3 245.366 3.201 20 0 BGADHN COC[C@@H]1CCCCN1C/C=C/c1ccccc1 ZINC000449760821 385162694 /nfs/dbraw/zinc/16/26/94/385162694.db2.gz RPOASHKXNZUUOX-JCVNQNCUSA-N 0 3 245.366 3.201 20 0 BGADHN COC[C@H]1CCCCN1C/C=C/c1ccccc1 ZINC000449760822 385161370 /nfs/dbraw/zinc/16/13/70/385161370.db2.gz RPOASHKXNZUUOX-OJXHRBAXSA-N 0 3 245.366 3.201 20 0 BGADHN CCO[C@@H]1CCCC[C@H]1NCc1ccsc1 ZINC000449761370 202028272 /nfs/dbraw/zinc/02/82/72/202028272.db2.gz WXGJZSWXTZXEPK-CHWSQXEVSA-N 0 3 239.384 3.185 20 0 BGADHN Cc1ccc(CN(C)Cc2ccn(C)c2)cc1C ZINC000449762078 202026332 /nfs/dbraw/zinc/02/63/32/202026332.db2.gz DRMDSEGZBVOPGT-UHFFFAOYSA-N 0 3 242.366 3.274 20 0 BGADHN Cc1ccc(CN(C)CC2=CCCOC2)cc1C ZINC000449763146 202028407 /nfs/dbraw/zinc/02/84/07/202028407.db2.gz PBAKECGBGKKDKZ-UHFFFAOYSA-N 0 3 245.366 3.082 20 0 BGADHN C[C@]12CN(Cc3cncs3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000449763546 202028189 /nfs/dbraw/zinc/02/81/89/202028189.db2.gz SLGPQFQOYMTGHO-UVLXDEKHSA-N 0 3 248.395 3.011 20 0 BGADHN C[C@]12CN(Cc3cncs3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000449763547 202027332 /nfs/dbraw/zinc/02/73/32/202027332.db2.gz SLGPQFQOYMTGHO-ZMJPVWNMSA-N 0 3 248.395 3.011 20 0 BGADHN C[C@]12CN(Cc3nccs3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000449764075 202026687 /nfs/dbraw/zinc/02/66/87/202026687.db2.gz YGQSVIPYISQFBB-GFQSEFKGSA-N 0 3 248.395 3.011 20 0 BGADHN C[C@]12CN(Cc3nccs3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000449764076 202027613 /nfs/dbraw/zinc/02/76/13/202027613.db2.gz YGQSVIPYISQFBB-OWTLIXCDSA-N 0 3 248.395 3.011 20 0 BGADHN Cc1nccc(CN[C@@H](C)[C@H]2CCC[C@@H](C)C2)n1 ZINC000449764367 534752974 /nfs/dbraw/zinc/75/29/74/534752974.db2.gz AQTDQFXHSILOOH-DYEKYZERSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1nccc(CN[C@@H](C)[C@@H]2CCC[C@@H](C)C2)n1 ZINC000449764368 385176614 /nfs/dbraw/zinc/17/66/14/385176614.db2.gz AQTDQFXHSILOOH-MBNYWOFBSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1nccc(CN[C@@H](C)[C@H]2CCC[C@H](C)C2)n1 ZINC000449764369 385177327 /nfs/dbraw/zinc/17/73/27/385177327.db2.gz AQTDQFXHSILOOH-OBJOEFQTSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1nccc(CN[C@@H](C)[C@@H]2CCC[C@H](C)C2)n1 ZINC000449764370 385178196 /nfs/dbraw/zinc/17/81/96/385178196.db2.gz AQTDQFXHSILOOH-SGMGOOAPSA-N 0 3 247.386 3.089 20 0 BGADHN CCn1ccnc1CN[C@@H](C)[C@@H]1CCC[C@@H](C)C1 ZINC000449764968 202026935 /nfs/dbraw/zinc/02/69/35/202026935.db2.gz FQURBXZVRRXDIP-HZSPNIEDSA-N 0 3 249.402 3.207 20 0 BGADHN CCn1ccnc1CN[C@@H](C)[C@H]1CCC[C@H](C)C1 ZINC000449764969 202026716 /nfs/dbraw/zinc/02/67/16/202026716.db2.gz FQURBXZVRRXDIP-IHRRRGAJSA-N 0 3 249.402 3.207 20 0 BGADHN CCn1ccnc1CN[C@@H](C)[C@@H]1CCC[C@H](C)C1 ZINC000449764970 202026088 /nfs/dbraw/zinc/02/60/88/202026088.db2.gz FQURBXZVRRXDIP-MELADBBJSA-N 0 3 249.402 3.207 20 0 BGADHN CCn1ccnc1CN[C@@H](C)[C@H]1CCC[C@@H](C)C1 ZINC000449764971 202027373 /nfs/dbraw/zinc/02/73/73/202027373.db2.gz FQURBXZVRRXDIP-RDBSUJKOSA-N 0 3 249.402 3.207 20 0 BGADHN C[C@H](NCc1nccs1)[C@@H]1CCC[C@H](C)C1 ZINC000449765146 202027940 /nfs/dbraw/zinc/02/79/40/202027940.db2.gz GRYSKUCDLVKZHJ-SDDRHHMPSA-N 0 3 238.400 3.448 20 0 BGADHN C[C@H](NCc1nccs1)[C@H]1CCC[C@H](C)C1 ZINC000449765147 202027598 /nfs/dbraw/zinc/02/75/98/202027598.db2.gz GRYSKUCDLVKZHJ-SRVKXCTJSA-N 0 3 238.400 3.448 20 0 BGADHN Cc1cnc(CN[C@@H](C)[C@@H]2CCC[C@H](C)C2)n1C ZINC000449765745 202026224 /nfs/dbraw/zinc/02/62/24/202026224.db2.gz KHHSZRGEIUJGJQ-FPMFFAJLSA-N 0 3 249.402 3.033 20 0 BGADHN Cc1cnc(CN[C@@H](C)[C@@H]2CCC[C@@H](C)C2)n1C ZINC000449765746 202027132 /nfs/dbraw/zinc/02/71/32/202027132.db2.gz KHHSZRGEIUJGJQ-KWCYVHTRSA-N 0 3 249.402 3.033 20 0 BGADHN Cc1cnc(CN[C@@H](C)[C@H]2CCC[C@H](C)C2)n1C ZINC000449765747 202026610 /nfs/dbraw/zinc/02/66/10/202026610.db2.gz KHHSZRGEIUJGJQ-UBHSHLNASA-N 0 3 249.402 3.033 20 0 BGADHN Cc1cnc(CN[C@@H](C)[C@H]2CCC[C@@H](C)C2)n1C ZINC000449765748 202027189 /nfs/dbraw/zinc/02/71/89/202027189.db2.gz KHHSZRGEIUJGJQ-XBFCOCLRSA-N 0 3 249.402 3.033 20 0 BGADHN C[C@H](NCc1cscn1)[C@@H]1CCC[C@H](C)C1 ZINC000449766623 202026722 /nfs/dbraw/zinc/02/67/22/202026722.db2.gz NZRWFLYZWQYPPL-SDDRHHMPSA-N 0 3 238.400 3.448 20 0 BGADHN C[C@H](NCc1cscn1)[C@H]1CCC[C@H](C)C1 ZINC000449766624 202028220 /nfs/dbraw/zinc/02/82/20/202028220.db2.gz NZRWFLYZWQYPPL-SRVKXCTJSA-N 0 3 238.400 3.448 20 0 BGADHN Cc1cnc(CN[C@@H](C)[C@@H]2CCC[C@H](C)C2)cn1 ZINC000449768481 202029028 /nfs/dbraw/zinc/02/90/28/202029028.db2.gz SHVSQNZFJXONMB-FPMFFAJLSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1cnc(CN[C@@H](C)[C@@H]2CCC[C@@H](C)C2)cn1 ZINC000449768482 202029385 /nfs/dbraw/zinc/02/93/85/202029385.db2.gz SHVSQNZFJXONMB-KWCYVHTRSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1cnc(CN[C@@H](C)[C@H]2CCC[C@H](C)C2)cn1 ZINC000449768483 202029378 /nfs/dbraw/zinc/02/93/78/202029378.db2.gz SHVSQNZFJXONMB-UBHSHLNASA-N 0 3 247.386 3.089 20 0 BGADHN Cc1cnc(CN[C@@H](C)[C@H]2CCC[C@@H](C)C2)cn1 ZINC000449768484 202030123 /nfs/dbraw/zinc/03/01/23/202030123.db2.gz SHVSQNZFJXONMB-XBFCOCLRSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1nocc1CN[C@@H](C)[C@@H]1CCC[C@H](C)C1 ZINC000449769142 202028729 /nfs/dbraw/zinc/02/87/29/202028729.db2.gz UMSDPXKTXUBJMK-GMXVVIOVSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1nocc1CN[C@@H](C)[C@H]1CCC[C@H](C)C1 ZINC000449769143 202029607 /nfs/dbraw/zinc/02/96/07/202029607.db2.gz UMSDPXKTXUBJMK-GVXVVHGQSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1nocc1CN[C@@H](C)[C@H]1CCC[C@@H](C)C1 ZINC000449769144 202029857 /nfs/dbraw/zinc/02/98/57/202029857.db2.gz UMSDPXKTXUBJMK-MDZLAQPJSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1nocc1CN[C@@H](C)[C@@H]1CCC[C@@H](C)C1 ZINC000449769145 202029051 /nfs/dbraw/zinc/02/90/51/202029051.db2.gz UMSDPXKTXUBJMK-NTZNESFSSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1ncc(CN2CC[C@H](CC(C)(C)C)C2)cn1 ZINC000449769231 385192416 /nfs/dbraw/zinc/19/24/16/385192416.db2.gz BNGYVMMNTCMJIC-CYBMUJFWSA-N 0 3 247.386 3.043 20 0 BGADHN Cc1ncc(CN2CC[C@@H](CC(C)(C)C)C2)cn1 ZINC000449769240 385190375 /nfs/dbraw/zinc/19/03/75/385190375.db2.gz BNGYVMMNTCMJIC-ZDUSSCGKSA-N 0 3 247.386 3.043 20 0 BGADHN CCn1cc(CN2CC[C@H](CC(C)(C)C)C2)cn1 ZINC000449769288 202028647 /nfs/dbraw/zinc/02/86/47/202028647.db2.gz BRRWNQQUDXVHAD-CYBMUJFWSA-N 0 3 249.402 3.161 20 0 BGADHN CCn1cc(CN2CC[C@@H](CC(C)(C)C)C2)cn1 ZINC000449769290 202029324 /nfs/dbraw/zinc/02/93/24/202029324.db2.gz BRRWNQQUDXVHAD-ZDUSSCGKSA-N 0 3 249.402 3.161 20 0 BGADHN Cc1c[nH]nc1CN[C@@H](C)[C@H]1CCC[C@H](C)C1 ZINC000449769927 202029973 /nfs/dbraw/zinc/02/99/73/202029973.db2.gz VRJCMDCAENEZPL-DRZSPHRISA-N 0 3 235.375 3.023 20 0 BGADHN Cc1c[nH]nc1CN[C@@H](C)[C@@H]1CCC[C@@H](C)C1 ZINC000449769928 202030522 /nfs/dbraw/zinc/03/05/22/202030522.db2.gz VRJCMDCAENEZPL-KGYLQXTDSA-N 0 3 235.375 3.023 20 0 BGADHN Cc1c[nH]nc1CN[C@@H](C)[C@@H]1CCC[C@H](C)C1 ZINC000449769929 202029311 /nfs/dbraw/zinc/02/93/11/202029311.db2.gz VRJCMDCAENEZPL-WCFLWFBJSA-N 0 3 235.375 3.023 20 0 BGADHN Cc1c[nH]nc1CN[C@@H](C)[C@H]1CCC[C@@H](C)C1 ZINC000449769930 202030575 /nfs/dbraw/zinc/03/05/75/202030575.db2.gz VRJCMDCAENEZPL-WXHSDQCUSA-N 0 3 235.375 3.023 20 0 BGADHN Cc1nccc(CN2CC[C@H](CC(C)(C)C)C2)n1 ZINC000449772939 202030548 /nfs/dbraw/zinc/03/05/48/202030548.db2.gz HSXQJHVAPVWADW-CYBMUJFWSA-N 0 3 247.386 3.043 20 0 BGADHN Cc1nccc(CN2CC[C@@H](CC(C)(C)C)C2)n1 ZINC000449772940 202030557 /nfs/dbraw/zinc/03/05/57/202030557.db2.gz HSXQJHVAPVWADW-ZDUSSCGKSA-N 0 3 247.386 3.043 20 0 BGADHN CC(C)(C)C[C@H]1CCN(Cc2cncs2)C1 ZINC000449773130 202029635 /nfs/dbraw/zinc/02/96/35/202029635.db2.gz HZJNNTCEYWXSOS-LLVKDONJSA-N 0 3 238.400 3.401 20 0 BGADHN CC(C)(C)C[C@@H]1CCN(Cc2cncs2)C1 ZINC000449773132 202028858 /nfs/dbraw/zinc/02/88/58/202028858.db2.gz HZJNNTCEYWXSOS-NSHDSACASA-N 0 3 238.400 3.401 20 0 BGADHN Cc1nocc1CN1CC[C@H](CC(C)(C)C)C1 ZINC000449773631 202032870 /nfs/dbraw/zinc/03/28/70/202032870.db2.gz IXNVIUZQHDLLHY-GFCCVEGCSA-N 0 3 236.359 3.241 20 0 BGADHN Cc1nocc1CN1CC[C@@H](CC(C)(C)C)C1 ZINC000449773632 202033438 /nfs/dbraw/zinc/03/34/38/202033438.db2.gz IXNVIUZQHDLLHY-LBPRGKRZSA-N 0 3 236.359 3.241 20 0 BGADHN CCn1nccc1CN1CC[C@H](CC(C)(C)C)C1 ZINC000449776940 202031512 /nfs/dbraw/zinc/03/15/12/202031512.db2.gz PKOJYFJBSMQMSV-CYBMUJFWSA-N 0 3 249.402 3.161 20 0 BGADHN CCn1nccc1CN1CC[C@@H](CC(C)(C)C)C1 ZINC000449776941 202031570 /nfs/dbraw/zinc/03/15/70/202031570.db2.gz PKOJYFJBSMQMSV-ZDUSSCGKSA-N 0 3 249.402 3.161 20 0 BGADHN CCn1cc(CN(C(C)C)C2CC(C)(C)C2)cn1 ZINC000449779166 202032227 /nfs/dbraw/zinc/03/22/27/202032227.db2.gz CRMNESVZQVHIKS-UHFFFAOYSA-N 0 3 249.402 3.302 20 0 BGADHN CCn1nccc1CN(C(C)C)C1CC(C)(C)C1 ZINC000449779251 202033020 /nfs/dbraw/zinc/03/30/20/202033020.db2.gz CYCKJSVIANKYSI-UHFFFAOYSA-N 0 3 249.402 3.302 20 0 BGADHN C=Cn1cc(CN2CC[C@H](CC(C)(C)C)C2)cn1 ZINC000449779447 202032667 /nfs/dbraw/zinc/03/26/67/202032667.db2.gz UBYAETFQNGLRQR-CYBMUJFWSA-N 0 3 247.386 3.242 20 0 BGADHN C=Cn1cc(CN2CC[C@@H](CC(C)(C)C)C2)cn1 ZINC000449779448 202031310 /nfs/dbraw/zinc/03/13/10/202031310.db2.gz UBYAETFQNGLRQR-ZDUSSCGKSA-N 0 3 247.386 3.242 20 0 BGADHN Cc1cnn(C)c1CN(C(C)C)C1CC(C)(C)C1 ZINC000449780936 202034887 /nfs/dbraw/zinc/03/48/87/202034887.db2.gz HJPDOAUPETVZIO-UHFFFAOYSA-N 0 3 249.402 3.128 20 0 BGADHN Cc1nn(C)cc1CN(C(C)C)C1CC(C)(C)C1 ZINC000449781942 202035622 /nfs/dbraw/zinc/03/56/22/202035622.db2.gz JRFSGIKOIJCQNQ-UHFFFAOYSA-N 0 3 249.402 3.128 20 0 BGADHN C=Cn1cc(CN(C(C)C)C2CC(C)(C)C2)cn1 ZINC000449782295 202034573 /nfs/dbraw/zinc/03/45/73/202034573.db2.gz KROBOFCWQBYPOJ-UHFFFAOYSA-N 0 3 247.386 3.383 20 0 BGADHN Cc1ncc(CN(C(C)C)C2CC(C)(C)C2)cn1 ZINC000449783656 202036425 /nfs/dbraw/zinc/03/64/25/202036425.db2.gz QSWDVZYFNPMRDZ-UHFFFAOYSA-N 0 3 247.386 3.184 20 0 BGADHN Cc1c[nH]nc1CN(C(C)C)C1CC(C)(C)C1 ZINC000449783766 202035916 /nfs/dbraw/zinc/03/59/16/202035916.db2.gz RPKBUWMEHOPPJN-UHFFFAOYSA-N 0 3 235.375 3.117 20 0 BGADHN Cc1n[nH]cc1CN(C(C)C)C1CC(C)(C)C1 ZINC000449783821 202034812 /nfs/dbraw/zinc/03/48/12/202034812.db2.gz RWYBWAWFQWNJKR-UHFFFAOYSA-N 0 3 235.375 3.117 20 0 BGADHN Cc1c(CN(C(C)C)C2CC(C)(C)C2)cnn1C ZINC000449783939 202035105 /nfs/dbraw/zinc/03/51/05/202035105.db2.gz SYDMBUROYFKXMV-UHFFFAOYSA-N 0 3 249.402 3.128 20 0 BGADHN Cc1nccc(CN(C(C)C)C2CC(C)(C)C2)n1 ZINC000449784209 202033906 /nfs/dbraw/zinc/03/39/06/202033906.db2.gz VYCMXALVSOOBQP-UHFFFAOYSA-N 0 3 247.386 3.184 20 0 BGADHN Cc1cnc(CN(C(C)C)C2CC(C)(C)C2)cn1 ZINC000449784615 202035283 /nfs/dbraw/zinc/03/52/83/202035283.db2.gz XOELENMUWFHPFH-UHFFFAOYSA-N 0 3 247.386 3.184 20 0 BGADHN Cc1nocc1CN(C(C)C)C1CC(C)(C)C1 ZINC000449784827 202033873 /nfs/dbraw/zinc/03/38/73/202033873.db2.gz YOIDOFKZXBYFBI-UHFFFAOYSA-N 0 3 236.359 3.382 20 0 BGADHN CC(C)[C@@H]1N(Cc2cccnc2)CC12CCCC2 ZINC000449788735 385246486 /nfs/dbraw/zinc/24/64/86/385246486.db2.gz DZFOHAUJLIJYDG-HNNXBMFYSA-N 0 3 244.382 3.482 20 0 BGADHN CC(C)[C@H]1N(Cc2cccnc2)CC12CCCC2 ZINC000449788736 385247544 /nfs/dbraw/zinc/24/75/44/385247544.db2.gz DZFOHAUJLIJYDG-OAHLLOKOSA-N 0 3 244.382 3.482 20 0 BGADHN CC(C)[C@@H]1N(Cc2ccncc2)CC12CCCC2 ZINC000449788822 202039149 /nfs/dbraw/zinc/03/91/49/202039149.db2.gz FTMUQDIVIHTGKP-HNNXBMFYSA-N 0 3 244.382 3.482 20 0 BGADHN CC(C)[C@H]1N(Cc2ccncc2)CC12CCCC2 ZINC000449788823 202036840 /nfs/dbraw/zinc/03/68/40/202036840.db2.gz FTMUQDIVIHTGKP-OAHLLOKOSA-N 0 3 244.382 3.482 20 0 BGADHN CC(C)[C@@H]1N(Cc2ccccn2)CC12CCCC2 ZINC000449791373 202038837 /nfs/dbraw/zinc/03/88/37/202038837.db2.gz ORXIRYAWCSUEDK-HNNXBMFYSA-N 0 3 244.382 3.482 20 0 BGADHN CC(C)[C@H]1N(Cc2ccccn2)CC12CCCC2 ZINC000449791375 202039113 /nfs/dbraw/zinc/03/91/13/202039113.db2.gz ORXIRYAWCSUEDK-OAHLLOKOSA-N 0 3 244.382 3.482 20 0 BGADHN Cc1n[nH]cc1CN1CC2(CCCC2)[C@@H]1C(C)C ZINC000449792142 202038664 /nfs/dbraw/zinc/03/86/64/202038664.db2.gz RUHAYIWRHYLTGW-AWEZNQCLSA-N 0 3 247.386 3.119 20 0 BGADHN Cc1n[nH]cc1CN1CC2(CCCC2)[C@H]1C(C)C ZINC000449792151 202037238 /nfs/dbraw/zinc/03/72/38/202037238.db2.gz RUHAYIWRHYLTGW-CQSZACIVSA-N 0 3 247.386 3.119 20 0 BGADHN Cc1nocc1CN1CC2(CCCC2)[C@@H]1C(C)C ZINC000449793869 385267315 /nfs/dbraw/zinc/26/73/15/385267315.db2.gz YMNRTUOQVLKQIR-AWEZNQCLSA-N 0 3 248.370 3.384 20 0 BGADHN Cc1nocc1CN1CC2(CCCC2)[C@H]1C(C)C ZINC000449793870 385266599 /nfs/dbraw/zinc/26/65/99/385266599.db2.gz YMNRTUOQVLKQIR-CQSZACIVSA-N 0 3 248.370 3.384 20 0 BGADHN CCc1ccc2nccc(N3CCCC3)c2c1 ZINC000450207436 202096623 /nfs/dbraw/zinc/09/66/23/202096623.db2.gz DVILSWQNNJQBDI-UHFFFAOYSA-N 0 3 226.323 3.397 20 0 BGADHN CCc1cc(N2CCc3ccccc3C2)ccn1 ZINC000450209049 202097284 /nfs/dbraw/zinc/09/72/84/202097284.db2.gz SKNAOHCSLLXSDG-UHFFFAOYSA-N 0 3 238.334 3.207 20 0 BGADHN CCc1cc(N2CCCC[C@H]2C)ccn1 ZINC000450214285 202098139 /nfs/dbraw/zinc/09/81/39/202098139.db2.gz XWYZEBJOVXVFAU-LLVKDONJSA-N 0 3 204.317 3.023 20 0 BGADHN CCc1cc(N2CCCC[C@@H]2C)ccn1 ZINC000450214289 202099897 /nfs/dbraw/zinc/09/98/97/202099897.db2.gz XWYZEBJOVXVFAU-NSHDSACASA-N 0 3 204.317 3.023 20 0 BGADHN CC1(C)CN(CC/C=C\c2ccccc2)CCO1 ZINC000450216090 202097701 /nfs/dbraw/zinc/09/77/01/202097701.db2.gz MWHAATCOEDVCMP-POHAHGRESA-N 0 3 245.366 3.201 20 0 BGADHN CC1(C)CN(CC/C=C/c2ccccc2)CCO1 ZINC000450216091 202099505 /nfs/dbraw/zinc/09/95/05/202099505.db2.gz MWHAATCOEDVCMP-UXBLZVDNSA-N 0 3 245.366 3.201 20 0 BGADHN CCc1cc(N(C)Cc2cccs2)ccn1 ZINC000450216822 202098397 /nfs/dbraw/zinc/09/83/97/202098397.db2.gz PDVUYOLFEGDOBQ-UHFFFAOYSA-N 0 3 232.352 3.342 20 0 BGADHN C[C@@H]1CN(CC/C=C\c2ccccc2)C[C@H](C)O1 ZINC000450219313 202098119 /nfs/dbraw/zinc/09/81/19/202098119.db2.gz XPRZKTCDGLNFAM-CCMUWLAQSA-N 0 3 245.366 3.199 20 0 BGADHN C[C@@H]1CN(CC/C=C/c2ccccc2)C[C@@H](C)O1 ZINC000450219314 202098406 /nfs/dbraw/zinc/09/84/06/202098406.db2.gz XPRZKTCDGLNFAM-ILJFBXALSA-N 0 3 245.366 3.199 20 0 BGADHN C[C@@H]1CN(CC/C=C\c2ccccc2)C[C@@H](C)O1 ZINC000450219315 202098437 /nfs/dbraw/zinc/09/84/37/202098437.db2.gz XPRZKTCDGLNFAM-XCTAYMRMSA-N 0 3 245.366 3.199 20 0 BGADHN C[C@@H]1CN(CC/C=C/c2ccccc2)C[C@H](C)O1 ZINC000450219316 202098098 /nfs/dbraw/zinc/09/80/98/202098098.db2.gz XPRZKTCDGLNFAM-YTZCLCNASA-N 0 3 245.366 3.199 20 0 BGADHN CCc1cc(N(C)Cc2ccc(C)o2)ccn1 ZINC000450219820 202100107 /nfs/dbraw/zinc/10/01/07/202100107.db2.gz ZHBJINQIWFRZRM-UHFFFAOYSA-N 0 3 230.311 3.182 20 0 BGADHN C[C@@H]1CN(CC/C=C/c2ccccc2)[C@H](C)CO1 ZINC000450232190 202104856 /nfs/dbraw/zinc/10/48/56/202104856.db2.gz KIPYWBGENGSRMP-ILJFBXALSA-N 0 3 245.366 3.199 20 0 BGADHN C[C@@H]1CN(CC/C=C\c2ccccc2)[C@@H](C)CO1 ZINC000450232191 201274907 /nfs/dbraw/zinc/27/49/07/201274907.db2.gz KIPYWBGENGSRMP-NBSFEKIASA-N 0 3 245.366 3.199 20 0 BGADHN C[C@@H]1CN(CC/C=C/c2ccccc2)[C@@H](C)CO1 ZINC000450232198 201275641 /nfs/dbraw/zinc/27/56/41/201275641.db2.gz KIPYWBGENGSRMP-SZVFQDTKSA-N 0 3 245.366 3.199 20 0 BGADHN C[C@@H]1CN(CC/C=C\c2ccccc2)[C@H](C)CO1 ZINC000450232204 201274502 /nfs/dbraw/zinc/27/45/02/201274502.db2.gz KIPYWBGENGSRMP-XCTAYMRMSA-N 0 3 245.366 3.199 20 0 BGADHN CCc1cc(N2CCc3sccc3C2)ccn1 ZINC000450232715 202105033 /nfs/dbraw/zinc/10/50/33/202105033.db2.gz MOXLFDMMFBNTBU-UHFFFAOYSA-N 0 3 244.363 3.268 20 0 BGADHN Cc1ccc(CN(C)C[C@@H]2CCC(F)(F)C2)o1 ZINC000450236613 202104235 /nfs/dbraw/zinc/10/42/35/202104235.db2.gz DHCXCEHYEQXYBX-LLVKDONJSA-N 0 3 243.297 3.455 20 0 BGADHN Cc1ccc(CN(C)C[C@H]2CCC(F)(F)C2)o1 ZINC000450236614 202104416 /nfs/dbraw/zinc/10/44/16/202104416.db2.gz DHCXCEHYEQXYBX-NSHDSACASA-N 0 3 243.297 3.455 20 0 BGADHN CCC(=O)CCCN(C)Cc1ccc(CC)cc1 ZINC000450237800 202105016 /nfs/dbraw/zinc/10/50/16/202105016.db2.gz QFSJJDLVSJLUTO-UHFFFAOYSA-N 0 3 247.382 3.440 20 0 BGADHN Cc1cccc(Cl)c1CN1CCCC1 ZINC000450238011 202105154 /nfs/dbraw/zinc/10/51/54/202105154.db2.gz SRGOVZIQPNZSTO-UHFFFAOYSA-N 0 3 209.720 3.244 20 0 BGADHN CC(=O)c1cccc(CN2C[C@H](C)C[C@H](C)C2)c1 ZINC000450239338 202103740 /nfs/dbraw/zinc/10/37/40/202103740.db2.gz AEQKPVIBJXNASO-BETUJISGSA-N 0 3 245.366 3.367 20 0 BGADHN CC(=O)c1cccc(CN2C[C@H](C)C[C@@H](C)C2)c1 ZINC000450239345 202103491 /nfs/dbraw/zinc/10/34/91/202103491.db2.gz AEQKPVIBJXNASO-CHWSQXEVSA-N 0 3 245.366 3.367 20 0 BGADHN CC(=O)c1cccc(CN2C[C@@H](C)C[C@H](C)C2)c1 ZINC000450239347 202103233 /nfs/dbraw/zinc/10/32/33/202103233.db2.gz AEQKPVIBJXNASO-STQMWFEESA-N 0 3 245.366 3.367 20 0 BGADHN CCN(CC)Cc1ccccc1OC1CC1 ZINC000450245173 202106701 /nfs/dbraw/zinc/10/67/01/202106701.db2.gz RGKUHWYKMZLTJF-UHFFFAOYSA-N 0 3 219.328 3.070 20 0 BGADHN CC(=O)c1ccc(CN2C[C@H](C)C[C@H](C)C2)cc1 ZINC000450246872 202106288 /nfs/dbraw/zinc/10/62/88/202106288.db2.gz SAOPOXVETJVOBD-BETUJISGSA-N 0 3 245.366 3.367 20 0 BGADHN CC(=O)c1ccc(CN2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000450246873 202107150 /nfs/dbraw/zinc/10/71/50/202107150.db2.gz SAOPOXVETJVOBD-CHWSQXEVSA-N 0 3 245.366 3.367 20 0 BGADHN CC(=O)c1ccc(CN2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000450246874 202106440 /nfs/dbraw/zinc/10/64/40/202106440.db2.gz SAOPOXVETJVOBD-STQMWFEESA-N 0 3 245.366 3.367 20 0 BGADHN CCN(CC)Cc1ccc(Cl)c(OC)c1 ZINC000450247413 202107684 /nfs/dbraw/zinc/10/76/84/202107684.db2.gz XXZCGQQYTXCQGR-UHFFFAOYSA-N 0 3 227.735 3.190 20 0 BGADHN CC(=O)c1cccc(CN2CCC[C@@H](C)C2)c1 ZINC000450249081 202109804 /nfs/dbraw/zinc/10/98/04/202109804.db2.gz ZUNRZPCVRSICBG-GFCCVEGCSA-N 0 3 231.339 3.121 20 0 BGADHN CC(=O)c1cccc(CN2CCC[C@H](C)C2)c1 ZINC000450249082 201326088 /nfs/dbraw/zinc/32/60/88/201326088.db2.gz ZUNRZPCVRSICBG-LBPRGKRZSA-N 0 3 231.339 3.121 20 0 BGADHN CC[C@@H]1CN(CC/C=C\c2ccccc2)CCO1 ZINC000450251717 202107990 /nfs/dbraw/zinc/10/79/90/202107990.db2.gz CQNXNCZUYHDICM-CXSQMQJXSA-N 0 3 245.366 3.201 20 0 BGADHN CC[C@H]1CN(CC/C=C/c2ccccc2)CCO1 ZINC000450251719 201330824 /nfs/dbraw/zinc/33/08/24/201330824.db2.gz CQNXNCZUYHDICM-DHINHOHASA-N 0 3 245.366 3.201 20 0 BGADHN CC[C@H]1CN(CC/C=C\c2ccccc2)CCO1 ZINC000450251721 201330831 /nfs/dbraw/zinc/33/08/31/201330831.db2.gz CQNXNCZUYHDICM-DIEDAUMRSA-N 0 3 245.366 3.201 20 0 BGADHN CC[C@@H]1CN(CC/C=C/c2ccccc2)CCO1 ZINC000450251723 201330749 /nfs/dbraw/zinc/33/07/49/201330749.db2.gz CQNXNCZUYHDICM-VGZDNEPHSA-N 0 3 245.366 3.201 20 0 BGADHN CCN(Cc1ccc(C(C)=O)cc1)CC(C)C ZINC000450254733 202109489 /nfs/dbraw/zinc/10/94/89/202109489.db2.gz VLXZRBPAUTUSIA-UHFFFAOYSA-N 0 3 233.355 3.367 20 0 BGADHN CCN(Cc1ccc(Cl)c(OC)c1)C1CC1 ZINC000450256008 202111074 /nfs/dbraw/zinc/11/10/74/202111074.db2.gz ODDSPLLVLILXRW-UHFFFAOYSA-N 0 3 239.746 3.333 20 0 BGADHN CCN(Cc1ccccc1OC1CC1)C1CC1 ZINC000450257904 202111186 /nfs/dbraw/zinc/11/11/86/202111186.db2.gz YFGKWFKTDUJQJI-UHFFFAOYSA-N 0 3 231.339 3.212 20 0 BGADHN CCc1cc(N(C)Cc2cnc(C)s2)ccn1 ZINC000450261376 202111755 /nfs/dbraw/zinc/11/17/55/202111755.db2.gz IDQZLBXPCPENDJ-UHFFFAOYSA-N 0 3 247.367 3.045 20 0 BGADHN C(=C/c1ccccc1)\CCN1CCSCC1 ZINC000450266507 202114558 /nfs/dbraw/zinc/11/45/58/202114558.db2.gz RGISVTTUUUEOCU-XBXARRHUSA-N 0 3 233.380 3.139 20 0 BGADHN C(=C\c1ccccc1)\CCN1CCSCC1 ZINC000450266508 202113087 /nfs/dbraw/zinc/11/30/87/202113087.db2.gz RGISVTTUUUEOCU-YWEYNIOJSA-N 0 3 233.380 3.139 20 0 BGADHN C1=C(CN2CCO[C@H]3CCCC[C@H]32)CCCC1 ZINC000450270491 202116861 /nfs/dbraw/zinc/11/68/61/202116861.db2.gz MSZHGKRICYZJMI-CABCVRRESA-N 0 3 235.371 3.130 20 0 BGADHN C1=C(CN2CCO[C@H]3CCCC[C@@H]32)CCCC1 ZINC000450270492 202115447 /nfs/dbraw/zinc/11/54/47/202115447.db2.gz MSZHGKRICYZJMI-GJZGRUSLSA-N 0 3 235.371 3.130 20 0 BGADHN C1=C(CN2CCO[C@@H]3CCCC[C@H]32)CCCC1 ZINC000450270493 202116424 /nfs/dbraw/zinc/11/64/24/202116424.db2.gz MSZHGKRICYZJMI-HUUCEWRRSA-N 0 3 235.371 3.130 20 0 BGADHN C1=C(CN2CCO[C@@H]3CCCC[C@@H]32)CCCC1 ZINC000450270494 202116102 /nfs/dbraw/zinc/11/61/02/202116102.db2.gz MSZHGKRICYZJMI-LSDHHAIUSA-N 0 3 235.371 3.130 20 0 BGADHN CCc1cc(N(C)Cc2ccoc2C)ccn1 ZINC000450274523 202116752 /nfs/dbraw/zinc/11/67/52/202116752.db2.gz KKTKBBGTASWGIS-UHFFFAOYSA-N 0 3 230.311 3.182 20 0 BGADHN CCN(Cc1ccccc1OC1CC1)C(C)C ZINC000450278050 202116740 /nfs/dbraw/zinc/11/67/40/202116740.db2.gz OCRMLASSVLQFFG-UHFFFAOYSA-N 0 3 233.355 3.458 20 0 BGADHN CCc1cc(N2CCC[C@H]2C(C)C)ccn1 ZINC000450279774 202117961 /nfs/dbraw/zinc/11/79/61/202117961.db2.gz WEUXOFBQYNVFMF-AWEZNQCLSA-N 0 3 218.344 3.269 20 0 BGADHN CCc1cc(N2CCC[C@@H]2C(C)C)ccn1 ZINC000450279775 202118264 /nfs/dbraw/zinc/11/82/64/202118264.db2.gz WEUXOFBQYNVFMF-CQSZACIVSA-N 0 3 218.344 3.269 20 0 BGADHN CN(Cc1ccoc1)C[C@H]1CCC(F)(F)C1 ZINC000450281236 202119665 /nfs/dbraw/zinc/11/96/65/202119665.db2.gz BGDLZIFNWDJPMW-JTQLQIEISA-N 0 3 229.270 3.147 20 0 BGADHN CN(Cc1ccoc1)C[C@@H]1CCC(F)(F)C1 ZINC000450281237 202118383 /nfs/dbraw/zinc/11/83/83/202118383.db2.gz BGDLZIFNWDJPMW-SNVBAGLBSA-N 0 3 229.270 3.147 20 0 BGADHN CCc1cc(N(C)Cc2csc(C)n2)ccn1 ZINC000450283389 202118682 /nfs/dbraw/zinc/11/86/82/202118682.db2.gz JOWHRGYDGZAFMO-UHFFFAOYSA-N 0 3 247.367 3.045 20 0 BGADHN C1=C(CCN2CCO[C@H]3CCC[C@H]32)CCCC1 ZINC000450288264 202121260 /nfs/dbraw/zinc/12/12/60/202121260.db2.gz SOUDVQQCEYIQRG-CABCVRRESA-N 0 3 235.371 3.130 20 0 BGADHN C1=C(CCN2CCO[C@H]3CCC[C@@H]32)CCCC1 ZINC000450288265 202122030 /nfs/dbraw/zinc/12/20/30/202122030.db2.gz SOUDVQQCEYIQRG-GJZGRUSLSA-N 0 3 235.371 3.130 20 0 BGADHN C1=C(CCN2CCO[C@@H]3CCC[C@H]32)CCCC1 ZINC000450288266 202120695 /nfs/dbraw/zinc/12/06/95/202120695.db2.gz SOUDVQQCEYIQRG-HUUCEWRRSA-N 0 3 235.371 3.130 20 0 BGADHN C1=C(CCN2CCO[C@@H]3CCC[C@@H]32)CCCC1 ZINC000450288267 202120132 /nfs/dbraw/zinc/12/01/32/202120132.db2.gz SOUDVQQCEYIQRG-LSDHHAIUSA-N 0 3 235.371 3.130 20 0 BGADHN CC1(C)COCCN1CC/C=C\c1ccccc1 ZINC000450288567 202121280 /nfs/dbraw/zinc/12/12/80/202121280.db2.gz QFLVOWWWSDNTLT-POHAHGRESA-N 0 3 245.366 3.201 20 0 BGADHN CC1(C)COCCN1CC/C=C/c1ccccc1 ZINC000450288568 201353523 /nfs/dbraw/zinc/35/35/23/201353523.db2.gz QFLVOWWWSDNTLT-UXBLZVDNSA-N 0 3 245.366 3.201 20 0 BGADHN Cc1occc1CN(C)C[C@@H]1CCC(F)(F)C1 ZINC000450290654 202120301 /nfs/dbraw/zinc/12/03/01/202120301.db2.gz WZWAHBSESWZRJK-LLVKDONJSA-N 0 3 243.297 3.455 20 0 BGADHN Cc1occc1CN(C)C[C@H]1CCC(F)(F)C1 ZINC000450290656 202121036 /nfs/dbraw/zinc/12/10/36/202121036.db2.gz WZWAHBSESWZRJK-NSHDSACASA-N 0 3 243.297 3.455 20 0 BGADHN CCc1cc(N(C)[C@H](C)c2ccccn2)ccn1 ZINC000450291760 202121331 /nfs/dbraw/zinc/12/13/31/202121331.db2.gz YQEWKQXIRLSDDJ-GFCCVEGCSA-N 0 3 241.338 3.236 20 0 BGADHN CCc1cc(N(C)[C@@H](C)c2ccccn2)ccn1 ZINC000450291762 202121767 /nfs/dbraw/zinc/12/17/67/202121767.db2.gz YQEWKQXIRLSDDJ-LBPRGKRZSA-N 0 3 241.338 3.236 20 0 BGADHN COCCCN(C)Cc1c(C)cccc1Cl ZINC000450292729 202120430 /nfs/dbraw/zinc/12/04/30/202120430.db2.gz VSQLIMVJZYTCCK-UHFFFAOYSA-N 0 3 241.762 3.117 20 0 BGADHN CC(C)CN(C)Cc1ccccc1OC1CC1 ZINC000450297905 202123298 /nfs/dbraw/zinc/12/32/98/202123298.db2.gz KMCPJNGEMWMKMO-UHFFFAOYSA-N 0 3 233.355 3.316 20 0 BGADHN CCCN(C)Cc1ccc(Cl)c(OC)c1 ZINC000450314055 202127689 /nfs/dbraw/zinc/12/76/89/202127689.db2.gz AGPPLFBYYOOYRK-UHFFFAOYSA-N 0 3 227.735 3.190 20 0 BGADHN CCCN(C)Cc1ccccc1OC1CC1 ZINC000450314487 202126999 /nfs/dbraw/zinc/12/69/99/202126999.db2.gz BPSIJGNVLZIUBP-UHFFFAOYSA-N 0 3 219.328 3.070 20 0 BGADHN CCc1cc(N2Cc3ccccc3C2)ccn1 ZINC000450317406 202126892 /nfs/dbraw/zinc/12/68/92/202126892.db2.gz KLCKJNFKQBEXGU-UHFFFAOYSA-N 0 3 224.307 3.164 20 0 BGADHN CCc1cc(N[C@H](C)c2csc(C)n2)ccn1 ZINC000450323120 202127133 /nfs/dbraw/zinc/12/71/33/202127133.db2.gz FKFSBFQGOGECSR-SECBINFHSA-N 0 3 247.367 3.004 20 0 BGADHN CCc1cc(N[C@@H](C)c2csc(C)n2)ccn1 ZINC000450323121 202127968 /nfs/dbraw/zinc/12/79/68/202127968.db2.gz FKFSBFQGOGECSR-VIFPVBQESA-N 0 3 247.367 3.004 20 0 BGADHN CCc1cc(N(C)Cc2scnc2C)ccn1 ZINC000450327617 202129984 /nfs/dbraw/zinc/12/99/84/202129984.db2.gz MGNQRPVDYFSKTQ-UHFFFAOYSA-N 0 3 247.367 3.045 20 0 BGADHN CCC1(C)CCN(CCc2cscn2)CC1 ZINC000450328473 202130377 /nfs/dbraw/zinc/13/03/77/202130377.db2.gz CCBBLKFQUYNABA-UHFFFAOYSA-N 0 3 238.400 3.198 20 0 BGADHN CN(CCC(F)(F)F)CC12CCC(CC1)C2 ZINC000450337310 202131736 /nfs/dbraw/zinc/13/17/36/202131736.db2.gz FHADDCFBAGQKBQ-UHFFFAOYSA-N 0 3 235.293 3.451 20 0 BGADHN CCN(CCC1=CCCCC1)Cc1cnn(C)c1 ZINC000450337464 202132571 /nfs/dbraw/zinc/13/25/71/202132571.db2.gz FXGHNUNOEPVJDF-UHFFFAOYSA-N 0 3 247.386 3.133 20 0 BGADHN CN(CCC(F)(F)F)CC1=CCCCC1 ZINC000450338595 202133180 /nfs/dbraw/zinc/13/31/80/202133180.db2.gz LMBNAFWQFYYKGE-UHFFFAOYSA-N 0 3 221.266 3.371 20 0 BGADHN CCc1cc(N(C)C2CCC(OC)CC2)ccn1 ZINC000450339530 387949136 /nfs/dbraw/zinc/94/91/36/387949136.db2.gz RCEAJWACZYSZSO-UHFFFAOYSA-N 0 3 248.370 3.038 20 0 BGADHN c1cnn([C@H]2CCCN(CC3=CCCCC3)C2)c1 ZINC000450339655 202134815 /nfs/dbraw/zinc/13/48/15/202134815.db2.gz BHJFHWKUVFWCHI-HNNXBMFYSA-N 0 3 245.370 3.020 20 0 BGADHN c1cnn([C@@H]2CCCN(CC3=CCCCC3)C2)c1 ZINC000450339656 202135505 /nfs/dbraw/zinc/13/55/05/202135505.db2.gz BHJFHWKUVFWCHI-OAHLLOKOSA-N 0 3 245.370 3.020 20 0 BGADHN COc1cc(CN2CC[C@H](C)C2)ccc1Cl ZINC000450340729 202134057 /nfs/dbraw/zinc/13/40/57/202134057.db2.gz XEGUNQXWIQQBKI-JTQLQIEISA-N 0 3 239.746 3.190 20 0 BGADHN COc1cc(CN2CC[C@@H](C)C2)ccc1Cl ZINC000450340730 202131011 /nfs/dbraw/zinc/13/10/11/202131011.db2.gz XEGUNQXWIQQBKI-SNVBAGLBSA-N 0 3 239.746 3.190 20 0 BGADHN CN(CCC(F)(F)F)C[C@@H]1CCC(F)(F)C1 ZINC000450341099 202135895 /nfs/dbraw/zinc/13/58/95/202135895.db2.gz YPIDCTQYVGFQOT-MRVPVSSYSA-N 0 3 245.235 3.306 20 0 BGADHN CN(CCC(F)(F)F)C[C@H]1CCC(F)(F)C1 ZINC000450341100 202133611 /nfs/dbraw/zinc/13/36/11/202133611.db2.gz YPIDCTQYVGFQOT-QMMMGPOBSA-N 0 3 245.235 3.306 20 0 BGADHN CC[C@H]1CCCN1Cc1cccc(C(C)=O)c1 ZINC000450344316 202133975 /nfs/dbraw/zinc/13/39/75/202133975.db2.gz HDEGESXCLUOGSD-HNNXBMFYSA-N 0 3 231.339 3.264 20 0 BGADHN CC[C@@H]1CCCN1Cc1cccc(C(C)=O)c1 ZINC000450344317 202134892 /nfs/dbraw/zinc/13/48/92/202134892.db2.gz HDEGESXCLUOGSD-OAHLLOKOSA-N 0 3 231.339 3.264 20 0 BGADHN Cn1cc([C@@H]2CCCN2CC2=CCCCC2)cn1 ZINC000450345622 202138297 /nfs/dbraw/zinc/13/82/97/202138297.db2.gz BQPDPJIGEWQDHT-HNNXBMFYSA-N 0 3 245.370 3.057 20 0 BGADHN Cn1cc([C@H]2CCCN2CC2=CCCCC2)cn1 ZINC000450345623 202138366 /nfs/dbraw/zinc/13/83/66/202138366.db2.gz BQPDPJIGEWQDHT-OAHLLOKOSA-N 0 3 245.370 3.057 20 0 BGADHN CN(CC1=CCCCC1)[C@@H](CO)c1ccccc1 ZINC000450348438 202137125 /nfs/dbraw/zinc/13/71/25/202137125.db2.gz MFBUTDLAZFFEBF-INIZCTEOSA-N 0 3 245.366 3.152 20 0 BGADHN CN(CC1=CCCCC1)[C@H](CO)c1ccccc1 ZINC000450348440 202137284 /nfs/dbraw/zinc/13/72/84/202137284.db2.gz MFBUTDLAZFFEBF-MRXNPFEDSA-N 0 3 245.366 3.152 20 0 BGADHN CC[C@H]1CCCN1Cc1ccc(C(C)=O)cc1 ZINC000450348543 202136792 /nfs/dbraw/zinc/13/67/92/202136792.db2.gz RUXVKUBUWHFIBZ-HNNXBMFYSA-N 0 3 231.339 3.264 20 0 BGADHN CC[C@@H]1CCCN1Cc1ccc(C(C)=O)cc1 ZINC000450348544 202136957 /nfs/dbraw/zinc/13/69/57/202136957.db2.gz RUXVKUBUWHFIBZ-OAHLLOKOSA-N 0 3 231.339 3.264 20 0 BGADHN COCC(C)(C)NCc1c(C)cccc1Cl ZINC000450350621 202140388 /nfs/dbraw/zinc/14/03/88/202140388.db2.gz QWBNVMJFBWJBKR-UHFFFAOYSA-N 0 3 241.762 3.163 20 0 BGADHN C[C@@H]1CN(C[C@H]2CCCCC2(F)F)CCS1 ZINC000450355816 202141400 /nfs/dbraw/zinc/14/14/00/202141400.db2.gz SNYKYKFUMZMSFX-GHMZBOCLSA-N 0 3 249.370 3.249 20 0 BGADHN C[C@@H]1CN(C[C@@H]2CCCCC2(F)F)CCS1 ZINC000450355817 202142493 /nfs/dbraw/zinc/14/24/93/202142493.db2.gz SNYKYKFUMZMSFX-MNOVXSKESA-N 0 3 249.370 3.249 20 0 BGADHN C[C@H]1CN(C[C@@H]2CCCCC2(F)F)CCS1 ZINC000450355818 202143311 /nfs/dbraw/zinc/14/33/11/202143311.db2.gz SNYKYKFUMZMSFX-QWRGUYRKSA-N 0 3 249.370 3.249 20 0 BGADHN C[C@H]1CN(C[C@H]2CCCCC2(F)F)CCS1 ZINC000450355819 202142427 /nfs/dbraw/zinc/14/24/27/202142427.db2.gz SNYKYKFUMZMSFX-WDEREUQCSA-N 0 3 249.370 3.249 20 0 BGADHN CCc1cc(N(C)[C@H](C)CCSC)ccn1 ZINC000450365899 202144237 /nfs/dbraw/zinc/14/42/37/202144237.db2.gz RUGAAKGDTPPLCY-LLVKDONJSA-N 0 3 238.400 3.222 20 0 BGADHN CCc1cc(N(C)[C@@H](C)CCSC)ccn1 ZINC000450365900 202145028 /nfs/dbraw/zinc/14/50/28/202145028.db2.gz RUGAAKGDTPPLCY-NSHDSACASA-N 0 3 238.400 3.222 20 0 BGADHN CCc1cc(N2C[C@@H]3CCCC[C@@H]3C2)ccn1 ZINC000450371341 387996194 /nfs/dbraw/zinc/99/61/94/387996194.db2.gz GSIXQWZXGSMAJM-BETUJISGSA-N 0 3 230.355 3.270 20 0 BGADHN CCc1cc(N2C[C@H]3CCCC[C@@H]3C2)ccn1 ZINC000450371342 387996460 /nfs/dbraw/zinc/99/64/60/387996460.db2.gz GSIXQWZXGSMAJM-CHWSQXEVSA-N 0 3 230.355 3.270 20 0 BGADHN CCc1cc(N2C[C@@H]3CCCC[C@H]3C2)ccn1 ZINC000450371343 387996189 /nfs/dbraw/zinc/99/61/89/387996189.db2.gz GSIXQWZXGSMAJM-STQMWFEESA-N 0 3 230.355 3.270 20 0 BGADHN CCc1cc(N2[C@H](C)CC[C@H]2C)ccn1 ZINC000450374249 202145881 /nfs/dbraw/zinc/14/58/81/202145881.db2.gz BLAHWYUNDVTSOE-GHMZBOCLSA-N 0 3 204.317 3.021 20 0 BGADHN CCc1cc(N2[C@H](C)CC[C@@H]2C)ccn1 ZINC000450374250 202146733 /nfs/dbraw/zinc/14/67/33/202146733.db2.gz BLAHWYUNDVTSOE-PHIMTYICSA-N 0 3 204.317 3.021 20 0 BGADHN CCc1cc(N2[C@@H](C)CC[C@@H]2C)ccn1 ZINC000450374251 388009638 /nfs/dbraw/zinc/00/96/38/388009638.db2.gz BLAHWYUNDVTSOE-QWRGUYRKSA-N 0 3 204.317 3.021 20 0 BGADHN CCc1cc(N2CC[C@@H](C(C)C)C2)ccn1 ZINC000450375755 202146518 /nfs/dbraw/zinc/14/65/18/202146518.db2.gz FIRKXCWHTKLQMX-GFCCVEGCSA-N 0 3 218.344 3.126 20 0 BGADHN CCc1cc(N2CC[C@H](C(C)C)C2)ccn1 ZINC000450375756 202147002 /nfs/dbraw/zinc/14/70/02/202147002.db2.gz FIRKXCWHTKLQMX-LBPRGKRZSA-N 0 3 218.344 3.126 20 0 BGADHN CCc1cc(N(CC)Cc2ccccn2)ccn1 ZINC000450377097 202146170 /nfs/dbraw/zinc/14/61/70/202146170.db2.gz KDTJPWWNEACZNG-UHFFFAOYSA-N 0 3 241.338 3.066 20 0 BGADHN CCc1cc(N2CCC3(CCC3)C2)ccn1 ZINC000450378729 202147312 /nfs/dbraw/zinc/14/73/12/202147312.db2.gz MNNWFMIWGHOOCH-UHFFFAOYSA-N 0 3 216.328 3.024 20 0 BGADHN CC(=O)c1ccc(CN(C)CC2CCC2)cc1 ZINC000450391441 202149984 /nfs/dbraw/zinc/14/99/84/202149984.db2.gz MWDVHARMZYYAII-UHFFFAOYSA-N 0 3 231.339 3.121 20 0 BGADHN CC(=O)c1cccc(CN(C)CC2CCC2)c1 ZINC000450397327 202154391 /nfs/dbraw/zinc/15/43/91/202154391.db2.gz YXYCXFHTUGRXKW-UHFFFAOYSA-N 0 3 231.339 3.121 20 0 BGADHN CCc1cc(N2CCc3ccsc3C2)ccn1 ZINC000450401952 202155472 /nfs/dbraw/zinc/15/54/72/202155472.db2.gz BATWETYXNTWBAK-UHFFFAOYSA-N 0 3 244.363 3.268 20 0 BGADHN C1=C(CCN2CCN(C3CCC3)CC2)CCCC1 ZINC000450407072 202156195 /nfs/dbraw/zinc/15/61/95/202156195.db2.gz SPMLAXHGQUGQCB-UHFFFAOYSA-N 0 3 248.414 3.047 20 0 BGADHN CCN(Cc1ccccc1OC1CC1)CC1CC1 ZINC000450407712 202155732 /nfs/dbraw/zinc/15/57/32/202155732.db2.gz RMXMJEXYEBMFHD-UHFFFAOYSA-N 0 3 245.366 3.460 20 0 BGADHN CC[C@@H]1COCCN1CC/C=C\c1ccccc1 ZINC000450410287 202158083 /nfs/dbraw/zinc/15/80/83/202158083.db2.gz LXUAVCTUHHWJIO-CXSQMQJXSA-N 0 3 245.366 3.201 20 0 BGADHN CC[C@H]1COCCN1CC/C=C/c1ccccc1 ZINC000450410288 202157303 /nfs/dbraw/zinc/15/73/03/202157303.db2.gz LXUAVCTUHHWJIO-DHINHOHASA-N 0 3 245.366 3.201 20 0 BGADHN CC[C@H]1COCCN1CC/C=C\c1ccccc1 ZINC000450410289 202158682 /nfs/dbraw/zinc/15/86/82/202158682.db2.gz LXUAVCTUHHWJIO-DIEDAUMRSA-N 0 3 245.366 3.201 20 0 BGADHN CC[C@@H]1COCCN1CC/C=C/c1ccccc1 ZINC000450410290 202157845 /nfs/dbraw/zinc/15/78/45/202157845.db2.gz LXUAVCTUHHWJIO-VGZDNEPHSA-N 0 3 245.366 3.201 20 0 BGADHN c1coc([C@H]2CCCN2CCc2cscn2)c1 ZINC000450413611 202158945 /nfs/dbraw/zinc/15/89/45/202158945.db2.gz UIIKRFLNYCPTDM-GFCCVEGCSA-N 0 3 248.351 3.116 20 0 BGADHN c1coc([C@@H]2CCCN2CCc2cscn2)c1 ZINC000450413613 202157516 /nfs/dbraw/zinc/15/75/16/202157516.db2.gz UIIKRFLNYCPTDM-LBPRGKRZSA-N 0 3 248.351 3.116 20 0 BGADHN CCC(=O)CCCN1CCC[C@@H]1c1ccco1 ZINC000450414939 202159922 /nfs/dbraw/zinc/15/99/22/202159922.db2.gz ZMGHRENARJZECH-CYBMUJFWSA-N 0 3 235.327 3.176 20 0 BGADHN CCC(=O)CCCN1CCC[C@H]1c1ccco1 ZINC000450414940 202160555 /nfs/dbraw/zinc/16/05/55/202160555.db2.gz ZMGHRENARJZECH-ZDUSSCGKSA-N 0 3 235.327 3.176 20 0 BGADHN C[C@@H]1CSCCN1C[C@H]1CCCCC1(F)F ZINC000450422248 202161175 /nfs/dbraw/zinc/16/11/75/202161175.db2.gz GSDXVBBUROHXAJ-GHMZBOCLSA-N 0 3 249.370 3.249 20 0 BGADHN C[C@@H]1CSCCN1C[C@@H]1CCCCC1(F)F ZINC000450422250 202160968 /nfs/dbraw/zinc/16/09/68/202160968.db2.gz GSDXVBBUROHXAJ-MNOVXSKESA-N 0 3 249.370 3.249 20 0 BGADHN C[C@H]1CSCCN1C[C@@H]1CCCCC1(F)F ZINC000450422252 202160212 /nfs/dbraw/zinc/16/02/12/202160212.db2.gz GSDXVBBUROHXAJ-QWRGUYRKSA-N 0 3 249.370 3.249 20 0 BGADHN C[C@H]1CSCCN1C[C@H]1CCCCC1(F)F ZINC000450422254 202159802 /nfs/dbraw/zinc/15/98/02/202159802.db2.gz GSDXVBBUROHXAJ-WDEREUQCSA-N 0 3 249.370 3.249 20 0 BGADHN CCN(Cc1cccc(C(C)=O)c1)C1CCC1 ZINC000450423914 202162633 /nfs/dbraw/zinc/16/26/33/202162633.db2.gz PKGYYTLFZWPEPN-UHFFFAOYSA-N 0 3 231.339 3.264 20 0 BGADHN CCc1cc(N(C)[C@H](CC)CSC)ccn1 ZINC000450425518 202163639 /nfs/dbraw/zinc/16/36/39/202163639.db2.gz TVZCYQGRQHTONL-GFCCVEGCSA-N 0 3 238.400 3.222 20 0 BGADHN CCc1cc(N(C)[C@@H](CC)CSC)ccn1 ZINC000450425519 202163479 /nfs/dbraw/zinc/16/34/79/202163479.db2.gz TVZCYQGRQHTONL-LBPRGKRZSA-N 0 3 238.400 3.222 20 0 BGADHN CCN(Cc1ccc(C(C)=O)cc1)C1CCC1 ZINC000450425874 202161955 /nfs/dbraw/zinc/16/19/55/202161955.db2.gz VJBLYSULELPJGT-UHFFFAOYSA-N 0 3 231.339 3.264 20 0 BGADHN CC(=O)c1cccc(CN2C[C@H](C)C[C@@H]2C)c1 ZINC000450430669 202166874 /nfs/dbraw/zinc/16/68/74/202166874.db2.gz UFKRGGPLTXEECX-NEPJUHHUSA-N 0 3 231.339 3.120 20 0 BGADHN CC(=O)c1cccc(CN2C[C@@H](C)C[C@H]2C)c1 ZINC000450430670 202167006 /nfs/dbraw/zinc/16/70/06/202167006.db2.gz UFKRGGPLTXEECX-NWDGAFQWSA-N 0 3 231.339 3.120 20 0 BGADHN CC(=O)c1cccc(CN2C[C@@H](C)C[C@@H]2C)c1 ZINC000450430671 202164720 /nfs/dbraw/zinc/16/47/20/202164720.db2.gz UFKRGGPLTXEECX-RYUDHWBXSA-N 0 3 231.339 3.120 20 0 BGADHN CC(=O)c1cccc(CN2C[C@H](C)C[C@H]2C)c1 ZINC000450430672 202164889 /nfs/dbraw/zinc/16/48/89/202164889.db2.gz UFKRGGPLTXEECX-VXGBXAGGSA-N 0 3 231.339 3.120 20 0 BGADHN C[C@@H]1COC[C@H](C)N1CC/C=C\c1ccccc1 ZINC000450431093 202167113 /nfs/dbraw/zinc/16/71/13/202167113.db2.gz XOHFTKAUVYPQKH-CCMUWLAQSA-N 0 3 245.366 3.199 20 0 BGADHN C[C@@H]1COC[C@@H](C)N1CC/C=C/c1ccccc1 ZINC000450431094 387729894 /nfs/dbraw/zinc/72/98/94/387729894.db2.gz XOHFTKAUVYPQKH-ILJFBXALSA-N 0 3 245.366 3.199 20 0 BGADHN C[C@@H]1COC[C@@H](C)N1CC/C=C\c1ccccc1 ZINC000450431095 387727689 /nfs/dbraw/zinc/72/76/89/387727689.db2.gz XOHFTKAUVYPQKH-XCTAYMRMSA-N 0 3 245.366 3.199 20 0 BGADHN C[C@@H]1COC[C@H](C)N1CC/C=C/c1ccccc1 ZINC000450431096 387727387 /nfs/dbraw/zinc/72/73/87/387727387.db2.gz XOHFTKAUVYPQKH-YTZCLCNASA-N 0 3 245.366 3.199 20 0 BGADHN CC(=O)c1ccc(CN2C[C@H](C)C[C@@H]2C)cc1 ZINC000450431492 202165935 /nfs/dbraw/zinc/16/59/35/202165935.db2.gz ZQEYACHRAZWFTL-NEPJUHHUSA-N 0 3 231.339 3.120 20 0 BGADHN CC(=O)c1ccc(CN2C[C@@H](C)C[C@H]2C)cc1 ZINC000450431493 202165680 /nfs/dbraw/zinc/16/56/80/202165680.db2.gz ZQEYACHRAZWFTL-NWDGAFQWSA-N 0 3 231.339 3.120 20 0 BGADHN CC(=O)c1ccc(CN2C[C@@H](C)C[C@@H]2C)cc1 ZINC000450431494 202166105 /nfs/dbraw/zinc/16/61/05/202166105.db2.gz ZQEYACHRAZWFTL-RYUDHWBXSA-N 0 3 231.339 3.120 20 0 BGADHN CC(=O)c1ccc(CN2C[C@H](C)C[C@H]2C)cc1 ZINC000450431495 202166841 /nfs/dbraw/zinc/16/68/41/202166841.db2.gz ZQEYACHRAZWFTL-VXGBXAGGSA-N 0 3 231.339 3.120 20 0 BGADHN CC(C)C1CCN(CCc2cscn2)CC1 ZINC000450432426 202166882 /nfs/dbraw/zinc/16/68/82/202166882.db2.gz ALAVETWFQKKNEK-UHFFFAOYSA-N 0 3 238.400 3.054 20 0 BGADHN CCC(=O)CCCN1Cc2ccccc2C[C@H]1C ZINC000450432992 202165576 /nfs/dbraw/zinc/16/55/76/202165576.db2.gz CKVOXGUWPSJRAF-CYBMUJFWSA-N 0 3 245.366 3.193 20 0 BGADHN CCC(=O)CCCN1Cc2ccccc2C[C@@H]1C ZINC000450432993 202165019 /nfs/dbraw/zinc/16/50/19/202165019.db2.gz CKVOXGUWPSJRAF-ZDUSSCGKSA-N 0 3 245.366 3.193 20 0 BGADHN COc1cc(CN(C)C2CCC2)ccc1Cl ZINC000450444667 583940664 /nfs/dbraw/zinc/94/06/64/583940664.db2.gz ZKIUIWRUVUPDSF-UHFFFAOYSA-N 0 3 239.746 3.333 20 0 BGADHN CC[C@]1(C)CCCN(CCc2cscn2)C1 ZINC000450448165 206102509 /nfs/dbraw/zinc/10/25/09/206102509.db2.gz ATDOWIRXEOXLGB-CYBMUJFWSA-N 0 3 238.400 3.198 20 0 BGADHN CC[C@@]1(C)CCCN(CCc2cscn2)C1 ZINC000450448166 206103752 /nfs/dbraw/zinc/10/37/52/206103752.db2.gz ATDOWIRXEOXLGB-ZDUSSCGKSA-N 0 3 238.400 3.198 20 0 BGADHN C[C@@H]1CCCN1Cc1ccccc1OC1CC1 ZINC000450450137 206102183 /nfs/dbraw/zinc/10/21/83/206102183.db2.gz BZXJILJPRCDACT-GFCCVEGCSA-N 0 3 231.339 3.212 20 0 BGADHN C[C@H]1CCCN1Cc1ccccc1OC1CC1 ZINC000450450138 206103781 /nfs/dbraw/zinc/10/37/81/206103781.db2.gz BZXJILJPRCDACT-LBPRGKRZSA-N 0 3 231.339 3.212 20 0 BGADHN CC(=O)c1ccc(CN2CCC(C)(C)C2)cc1 ZINC000450452463 202170576 /nfs/dbraw/zinc/17/05/76/202170576.db2.gz HSEWSBPHDMVRRL-UHFFFAOYSA-N 0 3 231.339 3.121 20 0 BGADHN COc1cc(CN2CCC[C@@H]2C)ccc1Cl ZINC000450457250 202170243 /nfs/dbraw/zinc/17/02/43/202170243.db2.gz RGYFVCZYLPGLFM-JTQLQIEISA-N 0 3 239.746 3.333 20 0 BGADHN COc1cc(CN2CCC[C@H]2C)ccc1Cl ZINC000450457251 202169885 /nfs/dbraw/zinc/16/98/85/202169885.db2.gz RGYFVCZYLPGLFM-SNVBAGLBSA-N 0 3 239.746 3.333 20 0 BGADHN CCc1cc(N2CCCC3(CC3)C2)ccn1 ZINC000450458158 202172451 /nfs/dbraw/zinc/17/24/51/202172451.db2.gz HOBRGYFHOFNANZ-UHFFFAOYSA-N 0 3 216.328 3.024 20 0 BGADHN CCC(CC)N(Cc1cnns1)CC(C)C ZINC000450464960 202173550 /nfs/dbraw/zinc/17/35/50/202173550.db2.gz CPNYPOOYHLUXLR-UHFFFAOYSA-N 0 3 241.404 3.185 20 0 BGADHN O=C(CCCN1CCC12CCC2)c1ccccc1 ZINC000450467593 202174254 /nfs/dbraw/zinc/17/42/54/202174254.db2.gz JGKQJYPFHSYCGY-UHFFFAOYSA-N 0 3 243.350 3.278 20 0 BGADHN c1nc(CCN2CC[C@H]2c2ccccc2)cs1 ZINC000450467932 202175325 /nfs/dbraw/zinc/17/53/25/202175325.db2.gz MMSBSEIZRVROKI-AWEZNQCLSA-N 0 3 244.363 3.133 20 0 BGADHN c1nc(CCN2CC[C@@H]2c2ccccc2)cs1 ZINC000450467938 202175954 /nfs/dbraw/zinc/17/59/54/202175954.db2.gz MMSBSEIZRVROKI-CQSZACIVSA-N 0 3 244.363 3.133 20 0 BGADHN c1ccc(OC2CC2)c(CN2CCC23CCC3)c1 ZINC000450471966 202176845 /nfs/dbraw/zinc/17/68/45/202176845.db2.gz VZHXBUCWKSJHBD-UHFFFAOYSA-N 0 3 243.350 3.356 20 0 BGADHN CCc1cc(N2CC3(CCC3)C[C@H]2C)ccn1 ZINC000450482448 202181112 /nfs/dbraw/zinc/18/11/12/202181112.db2.gz CQZKEVFXOAKLOU-GFCCVEGCSA-N 0 3 230.355 3.413 20 0 BGADHN CCc1cc(N2CC3(CCC3)C[C@@H]2C)ccn1 ZINC000450482450 202179787 /nfs/dbraw/zinc/17/97/87/202179787.db2.gz CQZKEVFXOAKLOU-LBPRGKRZSA-N 0 3 230.355 3.413 20 0 BGADHN CCC(=O)CCCN1CC[C@H]1Cc1ccccc1 ZINC000450483623 202179185 /nfs/dbraw/zinc/17/91/85/202179185.db2.gz ZVTWOVULZLHLQT-HNNXBMFYSA-N 0 3 245.366 3.063 20 0 BGADHN CCC(=O)CCCN1CC[C@@H]1Cc1ccccc1 ZINC000450483624 202179493 /nfs/dbraw/zinc/17/94/93/202179493.db2.gz ZVTWOVULZLHLQT-OAHLLOKOSA-N 0 3 245.366 3.063 20 0 BGADHN CCN(Cc1ccccn1)CC1=CCCCC1 ZINC000450484318 202179597 /nfs/dbraw/zinc/17/95/97/202179597.db2.gz LYVMHKYKWOTABH-UHFFFAOYSA-N 0 3 230.355 3.404 20 0 BGADHN CC(C)CO[C@H]1CCN(CC2=CCCCC2)C1 ZINC000450485264 206081359 /nfs/dbraw/zinc/08/13/59/206081359.db2.gz OZWOAUPNCQYWQX-HNNXBMFYSA-N 0 3 237.387 3.234 20 0 BGADHN CC(C)CO[C@@H]1CCN(CC2=CCCCC2)C1 ZINC000450485265 206082091 /nfs/dbraw/zinc/08/20/91/206082091.db2.gz OZWOAUPNCQYWQX-OAHLLOKOSA-N 0 3 237.387 3.234 20 0 BGADHN CCc1cc(N2CC[C@H](C)C(F)(F)C2)ccn1 ZINC000450485324 202183598 /nfs/dbraw/zinc/18/35/98/202183598.db2.gz JAXFKSPYSPRAOP-JTQLQIEISA-N 0 3 240.297 3.126 20 0 BGADHN CCc1cc(N2CC[C@@H](C)C(F)(F)C2)ccn1 ZINC000450485325 202182829 /nfs/dbraw/zinc/18/28/29/202182829.db2.gz JAXFKSPYSPRAOP-SNVBAGLBSA-N 0 3 240.297 3.126 20 0 BGADHN CCC[C@@H]1CCCN(CCc2cscn2)C1 ZINC000450485585 202182597 /nfs/dbraw/zinc/18/25/97/202182597.db2.gz PYNBMENQBYZGAQ-GFCCVEGCSA-N 0 3 238.400 3.198 20 0 BGADHN CCC[C@H]1CCCN(CCc2cscn2)C1 ZINC000450485586 202183592 /nfs/dbraw/zinc/18/35/92/202183592.db2.gz PYNBMENQBYZGAQ-LBPRGKRZSA-N 0 3 238.400 3.198 20 0 BGADHN CC(=O)c1ccc(CN2CC[C@H](C(C)C)C2)cc1 ZINC000450486239 202182619 /nfs/dbraw/zinc/18/26/19/202182619.db2.gz PKMYYNJUFRSWDU-INIZCTEOSA-N 0 3 245.366 3.367 20 0 BGADHN CC(=O)c1ccc(CN2CC[C@@H](C(C)C)C2)cc1 ZINC000450486241 202183431 /nfs/dbraw/zinc/18/34/31/202183431.db2.gz PKMYYNJUFRSWDU-MRXNPFEDSA-N 0 3 245.366 3.367 20 0 BGADHN CC(=O)c1cccc(CN2CC[C@H](C(C)C)C2)c1 ZINC000450487818 202182910 /nfs/dbraw/zinc/18/29/10/202182910.db2.gz SYQWZSLLZLWJHL-INIZCTEOSA-N 0 3 245.366 3.367 20 0 BGADHN CC(=O)c1cccc(CN2CC[C@@H](C(C)C)C2)c1 ZINC000450487819 202183106 /nfs/dbraw/zinc/18/31/06/202183106.db2.gz SYQWZSLLZLWJHL-MRXNPFEDSA-N 0 3 245.366 3.367 20 0 BGADHN CC(=O)c1cccc(CN2[C@@H](C)CC[C@@H]2C)c1 ZINC000450487822 202183212 /nfs/dbraw/zinc/18/32/12/202183212.db2.gz WIGCRNWJZMRQAY-RYUDHWBXSA-N 0 3 231.339 3.262 20 0 BGADHN CC(=O)c1cccc(CN2[C@H](C)CC[C@@H]2C)c1 ZINC000450487823 202182534 /nfs/dbraw/zinc/18/25/34/202182534.db2.gz WIGCRNWJZMRQAY-TXEJJXNPSA-N 0 3 231.339 3.262 20 0 BGADHN CC(=O)c1cccc(CN2[C@H](C)CC[C@H]2C)c1 ZINC000450487824 202183071 /nfs/dbraw/zinc/18/30/71/202183071.db2.gz WIGCRNWJZMRQAY-VXGBXAGGSA-N 0 3 231.339 3.262 20 0 BGADHN CC(=O)c1ccc(CN2[C@@H](C)CC[C@@H]2C)cc1 ZINC000450488151 202181556 /nfs/dbraw/zinc/18/15/56/202181556.db2.gz WYCICHSKQXFPQQ-RYUDHWBXSA-N 0 3 231.339 3.262 20 0 BGADHN CC(=O)c1ccc(CN2[C@H](C)CC[C@@H]2C)cc1 ZINC000450488152 202181888 /nfs/dbraw/zinc/18/18/88/202181888.db2.gz WYCICHSKQXFPQQ-TXEJJXNPSA-N 0 3 231.339 3.262 20 0 BGADHN CC(=O)c1ccc(CN2[C@H](C)CC[C@H]2C)cc1 ZINC000450488153 202181851 /nfs/dbraw/zinc/18/18/51/202181851.db2.gz WYCICHSKQXFPQQ-VXGBXAGGSA-N 0 3 231.339 3.262 20 0 BGADHN CC[C@@H]1CCN(Cc2cccc(C(C)=O)c2)C1 ZINC000450490515 202184889 /nfs/dbraw/zinc/18/48/89/202184889.db2.gz ZPMYAUXQCYYHCE-CYBMUJFWSA-N 0 3 231.339 3.121 20 0 BGADHN CC[C@H]1CCN(Cc2cccc(C(C)=O)c2)C1 ZINC000450490516 202183795 /nfs/dbraw/zinc/18/37/95/202183795.db2.gz ZPMYAUXQCYYHCE-ZDUSSCGKSA-N 0 3 231.339 3.121 20 0 BGADHN CCc1cc(N2CCCC3(CCC3)C2)ccn1 ZINC000450492733 202184654 /nfs/dbraw/zinc/18/46/54/202184654.db2.gz WKFULDAKNWBZFU-UHFFFAOYSA-N 0 3 230.355 3.415 20 0 BGADHN C[C@@H]1[C@H](C)OCCN1CC/C=C\c1ccccc1 ZINC000450497038 202186325 /nfs/dbraw/zinc/18/63/25/202186325.db2.gz BRNUCNUTACNCIF-FVGUCBIESA-N 0 3 245.366 3.199 20 0 BGADHN C[C@@H]1OCCN(CC/C=C/c2ccccc2)[C@H]1C ZINC000450497039 202186207 /nfs/dbraw/zinc/18/62/07/202186207.db2.gz BRNUCNUTACNCIF-LZPJFDPBSA-N 0 3 245.366 3.199 20 0 BGADHN C[C@@H]1[C@H](C)OCCN1CC/C=C/c1ccccc1 ZINC000450497040 202186424 /nfs/dbraw/zinc/18/64/24/202186424.db2.gz BRNUCNUTACNCIF-PHGPQXGHSA-N 0 3 245.366 3.199 20 0 BGADHN C[C@@H]1OCCN(CC/C=C\c2ccccc2)[C@H]1C ZINC000450497041 202187905 /nfs/dbraw/zinc/18/79/05/202187905.db2.gz BRNUCNUTACNCIF-RIJNJYOMSA-N 0 3 245.366 3.199 20 0 BGADHN CCc1cc(N2CCC(C)=C(C)C2)ccn1 ZINC000450499657 202187470 /nfs/dbraw/zinc/18/74/70/202187470.db2.gz JMCRWHXBMVKAMN-UHFFFAOYSA-N 0 3 216.328 3.191 20 0 BGADHN CCc1cc(N2CC(C)=C[C@@H](C)C2)ccn1 ZINC000450501062 202187975 /nfs/dbraw/zinc/18/79/75/202187975.db2.gz MUKULWHXOIQQFV-LLVKDONJSA-N 0 3 216.328 3.046 20 0 BGADHN CCc1cc(N2CC(C)=C[C@H](C)C2)ccn1 ZINC000450501063 202187027 /nfs/dbraw/zinc/18/70/27/202187027.db2.gz MUKULWHXOIQQFV-NSHDSACASA-N 0 3 216.328 3.046 20 0 BGADHN FC(F)C1CCN(CC2=CCCCC2)CC1 ZINC000450502461 202186751 /nfs/dbraw/zinc/18/67/51/202186751.db2.gz PLWFYEZMYNUERJ-UHFFFAOYSA-N 0 3 229.314 3.464 20 0 BGADHN CCc1cc(N2Cc3ccc(C)cc3C2)ccn1 ZINC000450503193 202186216 /nfs/dbraw/zinc/18/62/16/202186216.db2.gz RJEARQIVKLXIHV-UHFFFAOYSA-N 0 3 238.334 3.473 20 0 BGADHN C1=C(CN2CCOC3(CCCC3)C2)CCCC1 ZINC000450503856 202186181 /nfs/dbraw/zinc/18/61/81/202186181.db2.gz SVOJZAMTZNFUMV-UHFFFAOYSA-N 0 3 235.371 3.132 20 0 BGADHN CCc1cc(N2CCC[C@@H](C3CC3)C2)ccn1 ZINC000450527477 202191226 /nfs/dbraw/zinc/19/12/26/202191226.db2.gz LATROUZBFXRBDH-CYBMUJFWSA-N 0 3 230.355 3.270 20 0 BGADHN CCc1cc(N2CCC[C@H](C3CC3)C2)ccn1 ZINC000450527478 202190064 /nfs/dbraw/zinc/19/00/64/202190064.db2.gz LATROUZBFXRBDH-ZDUSSCGKSA-N 0 3 230.355 3.270 20 0 BGADHN CCc1cc(N2CCCc3occc3C2)ccn1 ZINC000450533040 202190199 /nfs/dbraw/zinc/19/01/99/202190199.db2.gz SKJSNMIIFAFOKT-UHFFFAOYSA-N 0 3 242.322 3.190 20 0 BGADHN CCOC1(C)CCN(c2ccnc(CC)c2)CC1 ZINC000450536374 202192943 /nfs/dbraw/zinc/19/29/43/202192943.db2.gz APAGPYLKIKVVED-UHFFFAOYSA-N 0 3 248.370 3.039 20 0 BGADHN CCc1cc(N(C)Cc2occc2C)ccn1 ZINC000450539887 202192755 /nfs/dbraw/zinc/19/27/55/202192755.db2.gz LTXKUXFDYFRGHD-UHFFFAOYSA-N 0 3 230.311 3.182 20 0 BGADHN CCc1cc(N2CC[C@H](CC3CC3)C2)ccn1 ZINC000450545268 202193649 /nfs/dbraw/zinc/19/36/49/202193649.db2.gz WINNZNCDRYZWIL-CYBMUJFWSA-N 0 3 230.355 3.270 20 0 BGADHN CCc1cc(N2CC[C@@H](CC3CC3)C2)ccn1 ZINC000450545269 202194350 /nfs/dbraw/zinc/19/43/50/202194350.db2.gz WINNZNCDRYZWIL-ZDUSSCGKSA-N 0 3 230.355 3.270 20 0 BGADHN CC(C)N(Cc1cnns1)C1CCCCC1 ZINC000450546259 202193710 /nfs/dbraw/zinc/19/37/10/202193710.db2.gz GCPYPUSKHFOWRV-UHFFFAOYSA-N 0 3 239.388 3.081 20 0 BGADHN CC[C@@H](C)N(C)Cc1cccc(C(C)=O)c1 ZINC000450547343 202195451 /nfs/dbraw/zinc/19/54/51/202195451.db2.gz CIQCXRMVKZCFFS-LLVKDONJSA-N 0 3 219.328 3.120 20 0 BGADHN CC[C@H](C)N(C)Cc1cccc(C(C)=O)c1 ZINC000450547344 202195344 /nfs/dbraw/zinc/19/53/44/202195344.db2.gz CIQCXRMVKZCFFS-NSHDSACASA-N 0 3 219.328 3.120 20 0 BGADHN CC[C@@H](C)N(C)Cc1ccc(C(C)=O)cc1 ZINC000450547430 202195312 /nfs/dbraw/zinc/19/53/12/202195312.db2.gz CSEFHOCJIWHVRZ-LLVKDONJSA-N 0 3 219.328 3.120 20 0 BGADHN CC[C@H](C)N(C)Cc1ccc(C(C)=O)cc1 ZINC000450547431 202194989 /nfs/dbraw/zinc/19/49/89/202194989.db2.gz CSEFHOCJIWHVRZ-NSHDSACASA-N 0 3 219.328 3.120 20 0 BGADHN CC[C@@H](C)N(C)Cc1ccccc1OC1CC1 ZINC000450548592 202194677 /nfs/dbraw/zinc/19/46/77/202194677.db2.gz IDSBVHHVBRRDDN-GFCCVEGCSA-N 0 3 233.355 3.458 20 0 BGADHN CC[C@H](C)N(C)Cc1ccccc1OC1CC1 ZINC000450548593 202194939 /nfs/dbraw/zinc/19/49/39/202194939.db2.gz IDSBVHHVBRRDDN-LBPRGKRZSA-N 0 3 233.355 3.458 20 0 BGADHN c1n[nH]cc1[C@@H]1CCCCN1CC1=CCCCC1 ZINC000450555370 202197068 /nfs/dbraw/zinc/19/70/68/202197068.db2.gz FVGYMQIZXCWSLX-HNNXBMFYSA-N 0 3 245.370 3.437 20 0 BGADHN c1n[nH]cc1[C@H]1CCCCN1CC1=CCCCC1 ZINC000450555376 202197133 /nfs/dbraw/zinc/19/71/33/202197133.db2.gz FVGYMQIZXCWSLX-OAHLLOKOSA-N 0 3 245.370 3.437 20 0 BGADHN Oc1ccc2c(c1)CN(CC1=CCCCC1)CC2 ZINC000450564500 202198692 /nfs/dbraw/zinc/19/86/92/202198692.db2.gz ITNVLHYFBCFCQP-UHFFFAOYSA-N 0 3 243.350 3.251 20 0 BGADHN Cc1cccc(CN(C)CC23CCC(CC2)C3)n1 ZINC000450566533 202199853 /nfs/dbraw/zinc/19/98/53/202199853.db2.gz LZCPRKRWBBXUGL-UHFFFAOYSA-N 0 3 244.382 3.402 20 0 BGADHN C1=C(CCN2CCOCC23CCC3)CCCC1 ZINC000450592705 202207507 /nfs/dbraw/zinc/20/75/07/202207507.db2.gz AJTMPAJUBPEXKF-UHFFFAOYSA-N 0 3 235.371 3.132 20 0 BGADHN CN(CCC1CC1)Cc1ccccc1OC1CC1 ZINC000450594728 202207080 /nfs/dbraw/zinc/20/70/80/202207080.db2.gz DCLKMDIZWJNKTN-UHFFFAOYSA-N 0 3 245.366 3.460 20 0 BGADHN Cc1cc(N2CC[C@@H](F)C2)c2ccccc2n1 ZINC000450596905 202206877 /nfs/dbraw/zinc/20/68/77/202206877.db2.gz GPXNZJFVKAFYPQ-LLVKDONJSA-N 0 3 230.286 3.091 20 0 BGADHN Cc1cc(N2CC[C@H](F)C2)c2ccccc2n1 ZINC000450596911 202207364 /nfs/dbraw/zinc/20/73/64/202207364.db2.gz GPXNZJFVKAFYPQ-NSHDSACASA-N 0 3 230.286 3.091 20 0 BGADHN Cc1ccc2nccc(N3CC[C@@H](F)C3)c2c1 ZINC000450602770 202208881 /nfs/dbraw/zinc/20/88/81/202208881.db2.gz DWDSZMJODFQNNO-LLVKDONJSA-N 0 3 230.286 3.091 20 0 BGADHN Cc1ccc2nccc(N3CC[C@H](F)C3)c2c1 ZINC000450602771 387942267 /nfs/dbraw/zinc/94/22/67/387942267.db2.gz DWDSZMJODFQNNO-NSHDSACASA-N 0 3 230.286 3.091 20 0 BGADHN CCc1cc(N2CC[C@@H](F)C2)c2ccccc2n1 ZINC000450603202 202209496 /nfs/dbraw/zinc/20/94/96/202209496.db2.gz GCYRQYMCYHDGHG-LLVKDONJSA-N 0 3 244.313 3.345 20 0 BGADHN CCc1cc(N2CC[C@H](F)C2)c2ccccc2n1 ZINC000450603203 201640872 /nfs/dbraw/zinc/64/08/72/201640872.db2.gz GCYRQYMCYHDGHG-NSHDSACASA-N 0 3 244.313 3.345 20 0 BGADHN Cc1cccc2c1ncc(C)c2N1CC[C@@H](F)C1 ZINC000450604392 202208214 /nfs/dbraw/zinc/20/82/14/202208214.db2.gz KYOQJZUEDINCRL-GFCCVEGCSA-N 0 3 244.313 3.400 20 0 BGADHN Cc1cccc2c1ncc(C)c2N1CC[C@H](F)C1 ZINC000450604393 202209503 /nfs/dbraw/zinc/20/95/03/202209503.db2.gz KYOQJZUEDINCRL-LBPRGKRZSA-N 0 3 244.313 3.400 20 0 BGADHN CC(=O)c1cccc(CN(C)CCC2CC2)c1 ZINC000450605419 202209238 /nfs/dbraw/zinc/20/92/38/202209238.db2.gz ZLSOOFXEQSXGEE-UHFFFAOYSA-N 0 3 231.339 3.121 20 0 BGADHN CCc1ccc2nccc(N3CC[C@@H](F)C3)c2c1 ZINC000450606185 202208589 /nfs/dbraw/zinc/20/85/89/202208589.db2.gz STRYBHCLFJYKGS-GFCCVEGCSA-N 0 3 244.313 3.345 20 0 BGADHN CCc1ccc2nccc(N3CC[C@H](F)C3)c2c1 ZINC000450606186 202208472 /nfs/dbraw/zinc/20/84/72/202208472.db2.gz STRYBHCLFJYKGS-LBPRGKRZSA-N 0 3 244.313 3.345 20 0 BGADHN Cc1nc2ccccc2c(N2CC[C@@H](F)C2)c1C ZINC000450606314 202208568 /nfs/dbraw/zinc/20/85/68/202208568.db2.gz SYXJPRPDBBFERC-GFCCVEGCSA-N 0 3 244.313 3.400 20 0 BGADHN Cc1nc2ccccc2c(N2CC[C@H](F)C2)c1C ZINC000450606315 202208928 /nfs/dbraw/zinc/20/89/28/202208928.db2.gz SYXJPRPDBBFERC-LBPRGKRZSA-N 0 3 244.313 3.400 20 0 BGADHN CN(CCC1=CCCCC1)Cc1cccnc1 ZINC000450618362 202212539 /nfs/dbraw/zinc/21/25/39/202212539.db2.gz UQBMYUABMBUPQQ-UHFFFAOYSA-N 0 3 230.355 3.404 20 0 BGADHN CN(CCc1nccs1)CC1=CCCCC1 ZINC000450620875 202212456 /nfs/dbraw/zinc/21/24/56/202212456.db2.gz ZJVBLJMSRFRIMH-UHFFFAOYSA-N 0 3 236.384 3.118 20 0 BGADHN CCC(=O)CCCN1CC=C(C(C)(C)C)CC1 ZINC000450623554 202215331 /nfs/dbraw/zinc/21/53/31/202215331.db2.gz MTFNIRFWGLFFKT-UHFFFAOYSA-N 0 3 237.387 3.424 20 0 BGADHN CN(CCc1ccccn1)CC1=CCCCC1 ZINC000450627343 202214960 /nfs/dbraw/zinc/21/49/60/202214960.db2.gz XXRKZPXZHWXZLN-UHFFFAOYSA-N 0 3 230.355 3.056 20 0 BGADHN C1=C(CCN2CCOC3(CCC3)C2)CCCC1 ZINC000450639442 202219680 /nfs/dbraw/zinc/21/96/80/202219680.db2.gz KTCSSGUWDITMFI-UHFFFAOYSA-N 0 3 235.371 3.132 20 0 BGADHN CC(=O)c1ccc(CN2CC[C@H](C3CC3)C2)cc1 ZINC000450642718 202222875 /nfs/dbraw/zinc/22/28/75/202222875.db2.gz JJYZYQBGFWDUEJ-INIZCTEOSA-N 0 3 243.350 3.121 20 0 BGADHN CC(=O)c1ccc(CN2CC[C@@H](C3CC3)C2)cc1 ZINC000450642719 202221779 /nfs/dbraw/zinc/22/17/79/202221779.db2.gz JJYZYQBGFWDUEJ-MRXNPFEDSA-N 0 3 243.350 3.121 20 0 BGADHN CC(=O)c1cccc(CN2CC[C@@H](C)[C@H](C)C2)c1 ZINC000450646373 202223327 /nfs/dbraw/zinc/22/33/27/202223327.db2.gz VPDRPHCUANHOKN-CHWSQXEVSA-N 0 3 245.366 3.367 20 0 BGADHN CC(=O)c1cccc(CN2CC[C@@H](C)[C@@H](C)C2)c1 ZINC000450646374 202223433 /nfs/dbraw/zinc/22/34/33/202223433.db2.gz VPDRPHCUANHOKN-OLZOCXBDSA-N 0 3 245.366 3.367 20 0 BGADHN CC(=O)c1cccc(CN2CC[C@H](C)[C@H](C)C2)c1 ZINC000450646375 202222075 /nfs/dbraw/zinc/22/20/75/202222075.db2.gz VPDRPHCUANHOKN-QWHCGFSZSA-N 0 3 245.366 3.367 20 0 BGADHN CC(=O)c1cccc(CN2CC[C@H](C)[C@@H](C)C2)c1 ZINC000450646376 202221942 /nfs/dbraw/zinc/22/19/42/202221942.db2.gz VPDRPHCUANHOKN-STQMWFEESA-N 0 3 245.366 3.367 20 0 BGADHN CC(=O)c1ccc(CN2CC[C@@H](C)[C@H](C)C2)cc1 ZINC000450648333 202226296 /nfs/dbraw/zinc/22/62/96/202226296.db2.gz YDOGTQMLIUFDDH-CHWSQXEVSA-N 0 3 245.366 3.367 20 0 BGADHN CC(=O)c1ccc(CN2CC[C@@H](C)[C@@H](C)C2)cc1 ZINC000450648334 202225996 /nfs/dbraw/zinc/22/59/96/202225996.db2.gz YDOGTQMLIUFDDH-OLZOCXBDSA-N 0 3 245.366 3.367 20 0 BGADHN CC(=O)c1ccc(CN2CC[C@H](C)[C@H](C)C2)cc1 ZINC000450648335 202225051 /nfs/dbraw/zinc/22/50/51/202225051.db2.gz YDOGTQMLIUFDDH-QWHCGFSZSA-N 0 3 245.366 3.367 20 0 BGADHN CC(=O)c1ccc(CN2CC[C@H](C)[C@@H](C)C2)cc1 ZINC000450648336 202225552 /nfs/dbraw/zinc/22/55/52/202225552.db2.gz YDOGTQMLIUFDDH-STQMWFEESA-N 0 3 245.366 3.367 20 0 BGADHN c1c[nH]c([C@H]2CCCN2CC23CCC(CC2)C3)n1 ZINC000450650243 202225215 /nfs/dbraw/zinc/22/52/15/202225215.db2.gz JWFIUHSFHPSWAO-JVWICGRDSA-N 0 3 245.370 3.127 20 0 BGADHN c1c[nH]c([C@@H]2CCCN2CC23CCC(CC2)C3)n1 ZINC000450650245 202225771 /nfs/dbraw/zinc/22/57/71/202225771.db2.gz JWFIUHSFHPSWAO-OWYJLGKBSA-N 0 3 245.370 3.127 20 0 BGADHN CC(=O)c1cccc(CN2CC[C@H](C3CC3)C2)c1 ZINC000450651111 202224841 /nfs/dbraw/zinc/22/48/41/202224841.db2.gz RQJNKCAFMRNJDI-INIZCTEOSA-N 0 3 243.350 3.121 20 0 BGADHN CC(=O)c1cccc(CN2CC[C@@H](C3CC3)C2)c1 ZINC000450651114 202224083 /nfs/dbraw/zinc/22/40/83/202224083.db2.gz RQJNKCAFMRNJDI-MRXNPFEDSA-N 0 3 243.350 3.121 20 0 BGADHN C1=C(CN2CCOCC23CCCC3)CCCC1 ZINC000450652124 202224649 /nfs/dbraw/zinc/22/46/49/202224649.db2.gz UEBGMKKSDWMRDN-UHFFFAOYSA-N 0 3 235.371 3.132 20 0 BGADHN CN(CCc1ccncc1)CC1=CCCCC1 ZINC000450653237 202228219 /nfs/dbraw/zinc/22/82/19/202228219.db2.gz PVACHGMPQNATOU-UHFFFAOYSA-N 0 3 230.355 3.056 20 0 BGADHN C[C@@]1(F)CCN(CCc2ccc(Cl)cc2)C1 ZINC000450653509 202228721 /nfs/dbraw/zinc/22/87/21/202228721.db2.gz GTSFYDAQPFEZKR-CYBMUJFWSA-N 0 3 241.737 3.316 20 0 BGADHN C[C@]1(F)CCN(CCc2ccc(Cl)cc2)C1 ZINC000450653510 202227885 /nfs/dbraw/zinc/22/78/85/202227885.db2.gz GTSFYDAQPFEZKR-ZDUSSCGKSA-N 0 3 241.737 3.316 20 0 BGADHN CCN(Cc1ccncc1)CC1=CCCCC1 ZINC000450656622 202228969 /nfs/dbraw/zinc/22/89/69/202228969.db2.gz KDMPNSOPEKRREO-UHFFFAOYSA-N 0 3 230.355 3.404 20 0 BGADHN C[C@@]1(F)CCN(C[C@H]2CCCCC2(F)F)C1 ZINC000450657028 202228012 /nfs/dbraw/zinc/22/80/12/202228012.db2.gz KQNRWGWUUUXIHD-GHMZBOCLSA-N 0 3 235.293 3.246 20 0 BGADHN C[C@]1(F)CCN(C[C@H]2CCCCC2(F)F)C1 ZINC000450657036 202228251 /nfs/dbraw/zinc/22/82/51/202228251.db2.gz KQNRWGWUUUXIHD-MNOVXSKESA-N 0 3 235.293 3.246 20 0 BGADHN C[C@]1(F)CCN(C[C@@H]2CCCCC2(F)F)C1 ZINC000450657037 202228206 /nfs/dbraw/zinc/22/82/06/202228206.db2.gz KQNRWGWUUUXIHD-QWRGUYRKSA-N 0 3 235.293 3.246 20 0 BGADHN C[C@@]1(F)CCN(C[C@@H]2CCCCC2(F)F)C1 ZINC000450657040 202227405 /nfs/dbraw/zinc/22/74/05/202227405.db2.gz KQNRWGWUUUXIHD-WDEREUQCSA-N 0 3 235.293 3.246 20 0 BGADHN C[C@@]1(F)CCN(CCC2=CCCCC2)C1 ZINC000450662085 202230906 /nfs/dbraw/zinc/23/09/06/202230906.db2.gz WFXPGWYXYFHQLL-CYBMUJFWSA-N 0 3 211.324 3.311 20 0 BGADHN C[C@]1(F)CCN(CCC2=CCCCC2)C1 ZINC000450662086 202230927 /nfs/dbraw/zinc/23/09/27/202230927.db2.gz WFXPGWYXYFHQLL-ZDUSSCGKSA-N 0 3 211.324 3.311 20 0 BGADHN OCC[C@H](NCC1=CCCCC1)c1ccccc1 ZINC000450664938 202231127 /nfs/dbraw/zinc/23/11/27/202231127.db2.gz FCQGPUQOOWRNAF-INIZCTEOSA-N 0 3 245.366 3.200 20 0 BGADHN OCC[C@@H](NCC1=CCCCC1)c1ccccc1 ZINC000450664939 202229845 /nfs/dbraw/zinc/22/98/45/202229845.db2.gz FCQGPUQOOWRNAF-MRXNPFEDSA-N 0 3 245.366 3.200 20 0 BGADHN C[C@H](c1cnn(C)c1)N(C)CCC1=CCCCC1 ZINC000450695012 202236077 /nfs/dbraw/zinc/23/60/77/202236077.db2.gz DSFBUEJULTXUBT-CYBMUJFWSA-N 0 3 247.386 3.303 20 0 BGADHN C[C@@H](c1cnn(C)c1)N(C)CCC1=CCCCC1 ZINC000450695013 202238095 /nfs/dbraw/zinc/23/80/95/202238095.db2.gz DSFBUEJULTXUBT-ZDUSSCGKSA-N 0 3 247.386 3.303 20 0 BGADHN C[C@H]1CN(CCc2cscn2)CC(C)(C)C1 ZINC000450707819 202239219 /nfs/dbraw/zinc/23/92/19/202239219.db2.gz BMXMOGDGJJNNBW-LLVKDONJSA-N 0 3 238.400 3.054 20 0 BGADHN C[C@@H]1CN(CCc2cscn2)CC(C)(C)C1 ZINC000450707820 202239019 /nfs/dbraw/zinc/23/90/19/202239019.db2.gz BMXMOGDGJJNNBW-NSHDSACASA-N 0 3 238.400 3.054 20 0 BGADHN Cc1ccc2nccc(N3C[C@@H](F)[C@@H](F)C3)c2c1 ZINC000450712762 386627190 /nfs/dbraw/zinc/62/71/90/386627190.db2.gz SZSSIFDEIPWASH-TXEJJXNPSA-N 0 3 248.276 3.039 20 0 BGADHN CN(CCc1ccccc1O)CC1=CCCCC1 ZINC000450721741 202244968 /nfs/dbraw/zinc/24/49/68/202244968.db2.gz YMMGOUHRPQZARK-UHFFFAOYSA-N 0 3 245.366 3.367 20 0 BGADHN COC[C@H](NCCC1=CCCCC1)c1ccco1 ZINC000450724023 202245791 /nfs/dbraw/zinc/24/57/91/202245791.db2.gz FNGXWQWQVMGBCM-AWEZNQCLSA-N 0 3 249.354 3.447 20 0 BGADHN COC[C@@H](NCCC1=CCCCC1)c1ccco1 ZINC000450724024 202247390 /nfs/dbraw/zinc/24/73/90/202247390.db2.gz FNGXWQWQVMGBCM-CQSZACIVSA-N 0 3 249.354 3.447 20 0 BGADHN COC[C@@H](NCC12CCC(CC1)C2)c1ccco1 ZINC000450726174 386643131 /nfs/dbraw/zinc/64/31/31/386643131.db2.gz KIHXJCQGPRFNNM-JVWICGRDSA-N 0 3 249.354 3.137 20 0 BGADHN COC[C@H](NCC12CCC(CC1)C2)c1ccco1 ZINC000450726176 386643691 /nfs/dbraw/zinc/64/36/91/386643691.db2.gz KIHXJCQGPRFNNM-OWYJLGKBSA-N 0 3 249.354 3.137 20 0 BGADHN COCC[C@H](NCC1=CCCCC1)c1ccco1 ZINC000450731106 202249312 /nfs/dbraw/zinc/24/93/12/202249312.db2.gz YTKPHRXOGKMDPY-AWEZNQCLSA-N 0 3 249.354 3.447 20 0 BGADHN COCC[C@@H](NCC1=CCCCC1)c1ccco1 ZINC000450731107 202248338 /nfs/dbraw/zinc/24/83/38/202248338.db2.gz YTKPHRXOGKMDPY-CQSZACIVSA-N 0 3 249.354 3.447 20 0 BGADHN C[C@@H]1CCN(CCc2cscn2)CC1(C)C ZINC000450749280 202254490 /nfs/dbraw/zinc/25/44/90/202254490.db2.gz YQUPTNMTCVOVSB-LLVKDONJSA-N 0 3 238.400 3.054 20 0 BGADHN C[C@H]1CCN(CCc2cscn2)CC1(C)C ZINC000450749281 202252864 /nfs/dbraw/zinc/25/28/64/202252864.db2.gz YQUPTNMTCVOVSB-NSHDSACASA-N 0 3 238.400 3.054 20 0 BGADHN CCc1cc(CCCN2CCCC3(CC3)C2)on1 ZINC000450758092 386678322 /nfs/dbraw/zinc/67/83/22/386678322.db2.gz NMABKQFXMQXJPY-UHFFFAOYSA-N 0 3 248.370 3.046 20 0 BGADHN OCC[C@H](NCCC1=CCCCC1)c1ccco1 ZINC000450767409 202261254 /nfs/dbraw/zinc/26/12/54/202261254.db2.gz ZWYSCEFCKQLKQQ-AWEZNQCLSA-N 0 3 249.354 3.183 20 0 BGADHN OCC[C@@H](NCCC1=CCCCC1)c1ccco1 ZINC000450767410 202262074 /nfs/dbraw/zinc/26/20/74/202262074.db2.gz ZWYSCEFCKQLKQQ-CQSZACIVSA-N 0 3 249.354 3.183 20 0 BGADHN c1nc2c(s1)CN(CCC1=CCCCC1)CC2 ZINC000450821297 202274290 /nfs/dbraw/zinc/27/42/90/202274290.db2.gz ADNVIPDNEXOSNU-UHFFFAOYSA-N 0 3 248.395 3.392 20 0 BGADHN c1nc2c(s1)CN(CC13CCC(CC1)C3)CC2 ZINC000450824350 202277847 /nfs/dbraw/zinc/27/78/47/202277847.db2.gz DTRVGVLQQROFJM-UHFFFAOYSA-N 0 3 248.395 3.082 20 0 BGADHN CCC(=O)CCCN1CCc2cc(C)ccc2C1 ZINC000450836008 202283238 /nfs/dbraw/zinc/28/32/38/202283238.db2.gz QCFHSFGPIWMJNG-UHFFFAOYSA-N 0 3 245.366 3.112 20 0 BGADHN CCC[C@H](O)CN(C)C/C(C)=C\c1ccccc1 ZINC000450846692 202285607 /nfs/dbraw/zinc/28/56/07/202285607.db2.gz NJVKEYXWAHGXBG-QBOMHBFWSA-N 0 3 247.382 3.183 20 0 BGADHN CCC[C@@H](O)CN(C)C/C(C)=C\c1ccccc1 ZINC000450846693 202285206 /nfs/dbraw/zinc/28/52/06/202285206.db2.gz NJVKEYXWAHGXBG-SYCZXOQXSA-N 0 3 247.382 3.183 20 0 BGADHN CCC[C@H](O)CN(C)C/C(C)=C/c1ccccc1 ZINC000450846694 202285124 /nfs/dbraw/zinc/28/51/24/202285124.db2.gz NJVKEYXWAHGXBG-UKYUDJEDSA-N 0 3 247.382 3.183 20 0 BGADHN CCC[C@@H](O)CN(C)C/C(C)=C/c1ccccc1 ZINC000450846695 202284985 /nfs/dbraw/zinc/28/49/85/202284985.db2.gz NJVKEYXWAHGXBG-WSYSLRRZSA-N 0 3 247.382 3.183 20 0 BGADHN CC(C)C[C@@H](C)N(C)Cc1cn2c(n1)CCCC2 ZINC000450859783 202291315 /nfs/dbraw/zinc/29/13/15/202291315.db2.gz VJSOFKQSKZNBLW-CYBMUJFWSA-N 0 3 249.402 3.086 20 0 BGADHN CC(C)C[C@H](C)N(C)Cc1cn2c(n1)CCCC2 ZINC000450859785 202291709 /nfs/dbraw/zinc/29/17/09/202291709.db2.gz VJSOFKQSKZNBLW-ZDUSSCGKSA-N 0 3 249.402 3.086 20 0 BGADHN CCC(=O)CCCN(C)Cc1cc(C)cc(C)c1 ZINC000450864333 202293376 /nfs/dbraw/zinc/29/33/76/202293376.db2.gz VCNAGSGDJNJLEZ-UHFFFAOYSA-N 0 3 247.382 3.495 20 0 BGADHN CN(C)CCSCCC1=CCCCC1 ZINC000450866625 202293814 /nfs/dbraw/zinc/29/38/14/202293814.db2.gz KIJBFRPCBFDYDK-UHFFFAOYSA-N 0 3 213.390 3.172 20 0 BGADHN CCC(=O)CCCN(C)Cc1cc(C)ccc1C ZINC000450866759 202293235 /nfs/dbraw/zinc/29/32/35/202293235.db2.gz UBWBVWWRTAGTOA-UHFFFAOYSA-N 0 3 247.382 3.495 20 0 BGADHN CN(C)CCSC[C@@H]1CCCCC1(F)F ZINC000450867811 229166554 /nfs/dbraw/zinc/16/65/54/229166554.db2.gz LTTRKQYUIIMKGG-JTQLQIEISA-N 0 3 237.359 3.107 20 0 BGADHN CN(C)CCSC[C@H]1CCCCC1(F)F ZINC000450867812 229166443 /nfs/dbraw/zinc/16/64/43/229166443.db2.gz LTTRKQYUIIMKGG-SNVBAGLBSA-N 0 3 237.359 3.107 20 0 BGADHN CN(C)CCSCC/C=C\c1ccccc1 ZINC000450868544 229166536 /nfs/dbraw/zinc/16/65/36/229166536.db2.gz MQAHIEXWEWMLCE-POHAHGRESA-N 0 3 235.396 3.385 20 0 BGADHN CN(C)CCSCC/C=C/c1ccccc1 ZINC000450868545 229166528 /nfs/dbraw/zinc/16/65/28/229166528.db2.gz MQAHIEXWEWMLCE-UXBLZVDNSA-N 0 3 235.396 3.385 20 0 BGADHN CN(C)CCSCCc1ccc(Cl)cc1 ZINC000450869321 397967825 /nfs/dbraw/zinc/96/78/25/397967825.db2.gz NSXXTIUARDVYLR-UHFFFAOYSA-N 0 3 243.803 3.177 20 0 BGADHN CN(C)CCS[C@@H]1C=CCCCCC1 ZINC000450869701 397967770 /nfs/dbraw/zinc/96/77/70/397967770.db2.gz OHWQKZKRFHHODL-GFCCVEGCSA-N 0 3 213.390 3.170 20 0 BGADHN CN(C)CCS[C@H]1C=CCCCCC1 ZINC000450869702 224893371 /nfs/dbraw/zinc/89/33/71/224893371.db2.gz OHWQKZKRFHHODL-LBPRGKRZSA-N 0 3 213.390 3.170 20 0 BGADHN c1cc([C@@H]2CCCN2CCC2=CCCCC2)n[nH]1 ZINC000450869858 397967789 /nfs/dbraw/zinc/96/77/89/397967789.db2.gz CWIVXGWWCSWCJU-HNNXBMFYSA-N 0 3 245.370 3.437 20 0 BGADHN c1cc([C@H]2CCCN2CCC2=CCCCC2)n[nH]1 ZINC000450869859 397967867 /nfs/dbraw/zinc/96/78/67/397967867.db2.gz CWIVXGWWCSWCJU-OAHLLOKOSA-N 0 3 245.370 3.437 20 0 BGADHN c1cc([C@@H]2CCCN2CC23CCC(CC2)C3)n[nH]1 ZINC000450887282 202298397 /nfs/dbraw/zinc/29/83/97/202298397.db2.gz XYHKHLMNFLGSII-BLZCZZARSA-N 0 3 245.370 3.127 20 0 BGADHN c1cc([C@H]2CCCN2CC23CCC(CC2)C3)n[nH]1 ZINC000450887283 202298026 /nfs/dbraw/zinc/29/80/26/202298026.db2.gz XYHKHLMNFLGSII-HNFVBEJKSA-N 0 3 245.370 3.127 20 0 BGADHN Cc1ccncc1CN(C)CC1=CCCCC1 ZINC000450890326 202301586 /nfs/dbraw/zinc/30/15/86/202301586.db2.gz GPHDICXVGGUIAO-UHFFFAOYSA-N 0 3 230.355 3.322 20 0 BGADHN CCc1cc(CCCN2CCC(C)=C(C)C2)on1 ZINC000450891547 202300019 /nfs/dbraw/zinc/30/00/19/202300019.db2.gz AURFFIJULNSEHS-UHFFFAOYSA-N 0 3 248.370 3.212 20 0 BGADHN Cc1ccncc1CN(C)CC12CCC(CC1)C2 ZINC000450895224 202299932 /nfs/dbraw/zinc/29/99/32/202299932.db2.gz XFZUAKLAYKDLNQ-UHFFFAOYSA-N 0 3 244.382 3.402 20 0 BGADHN CC(=O)c1ccc(CN2CCC(C)=C(C)C2)cc1 ZINC000450896088 202304099 /nfs/dbraw/zinc/30/40/99/202304099.db2.gz MIANUHRXDJAPNJ-UHFFFAOYSA-N 0 3 243.350 3.431 20 0 BGADHN CC1=CCCN(Cc2ccccc2OC2CC2)C1 ZINC000450907795 202306413 /nfs/dbraw/zinc/30/64/13/202306413.db2.gz GPAOQCJZWBQXPB-UHFFFAOYSA-N 0 3 243.350 3.380 20 0 BGADHN CC(=O)c1ccc(CN2CC(C)=C[C@@H](C)C2)cc1 ZINC000450909531 202305655 /nfs/dbraw/zinc/30/56/55/202305655.db2.gz IKDHUAAWYXEUIW-GFCCVEGCSA-N 0 3 243.350 3.287 20 0 BGADHN CC(=O)c1ccc(CN2CC(C)=C[C@H](C)C2)cc1 ZINC000450909535 202304767 /nfs/dbraw/zinc/30/47/67/202304767.db2.gz IKDHUAAWYXEUIW-LBPRGKRZSA-N 0 3 243.350 3.287 20 0 BGADHN CCc1cc(CCCN2CC(C)=C[C@@H](C)C2)on1 ZINC000450911808 202308357 /nfs/dbraw/zinc/30/83/57/202308357.db2.gz KVYJBKJZPHZVTH-GFCCVEGCSA-N 0 3 248.370 3.068 20 0 BGADHN CCc1cc(CCCN2CC(C)=C[C@H](C)C2)on1 ZINC000450911809 202307672 /nfs/dbraw/zinc/30/76/72/202307672.db2.gz KVYJBKJZPHZVTH-LBPRGKRZSA-N 0 3 248.370 3.068 20 0 BGADHN CC(C)C[C@@H](C)N(C)Cc1cnc(C(C)C)nc1 ZINC000450914761 202308072 /nfs/dbraw/zinc/30/80/72/202308072.db2.gz XXTOCFYANNXAEH-CYBMUJFWSA-N 0 3 249.402 3.466 20 0 BGADHN CC(C)C[C@H](C)N(C)Cc1cnc(C(C)C)nc1 ZINC000450914762 202307492 /nfs/dbraw/zinc/30/74/92/202307492.db2.gz XXTOCFYANNXAEH-ZDUSSCGKSA-N 0 3 249.402 3.466 20 0 BGADHN C1=C(CN2CCC3(CCOCC3)CC2)CCCC1 ZINC000450930482 202312037 /nfs/dbraw/zinc/31/20/37/202312037.db2.gz MWQAUBYEXOQKBB-UHFFFAOYSA-N 0 3 249.398 3.379 20 0 BGADHN C[C@@H](NCC1=CCCCC1)c1ccncc1F ZINC000450936067 202315414 /nfs/dbraw/zinc/31/54/14/202315414.db2.gz LZYUYDLRSPIBDB-LLVKDONJSA-N 0 3 234.318 3.372 20 0 BGADHN C[C@H](NCC1=CCCCC1)c1ccncc1F ZINC000450936068 386854656 /nfs/dbraw/zinc/85/46/56/386854656.db2.gz LZYUYDLRSPIBDB-NSHDSACASA-N 0 3 234.318 3.372 20 0 BGADHN CCO[C@@H]1C[C@H](NC[C@H](F)CC)C12CCCC2 ZINC000450961473 202320566 /nfs/dbraw/zinc/32/05/66/202320566.db2.gz AJXVBYCYPSRUJD-FRRDWIJNSA-N 0 3 243.366 3.062 20 0 BGADHN CCO[C@@H]1C[C@@H](NC[C@H](F)CC)C12CCCC2 ZINC000450961474 202320990 /nfs/dbraw/zinc/32/09/90/202320990.db2.gz AJXVBYCYPSRUJD-JHJVBQTASA-N 0 3 243.366 3.062 20 0 BGADHN CCO[C@@H]1C[C@H](NC[C@@H](F)CC)C12CCCC2 ZINC000450961475 202320369 /nfs/dbraw/zinc/32/03/69/202320369.db2.gz AJXVBYCYPSRUJD-RWMBFGLXSA-N 0 3 243.366 3.062 20 0 BGADHN CCO[C@@H]1C[C@@H](NC[C@@H](F)CC)C12CCCC2 ZINC000450961476 202321359 /nfs/dbraw/zinc/32/13/59/202321359.db2.gz AJXVBYCYPSRUJD-YNEHKIRRSA-N 0 3 243.366 3.062 20 0 BGADHN CC(C)C[C@@H](C)N1CCOc2cc(O)ccc2C1 ZINC000450985033 202326646 /nfs/dbraw/zinc/32/66/46/202326646.db2.gz ZLGKNBDDUPSQKD-GFCCVEGCSA-N 0 3 249.354 3.021 20 0 BGADHN CC(C)C[C@H](C)N1CCOc2cc(O)ccc2C1 ZINC000450985034 202327091 /nfs/dbraw/zinc/32/70/91/202327091.db2.gz ZLGKNBDDUPSQKD-LBPRGKRZSA-N 0 3 249.354 3.021 20 0 BGADHN CC[C@H](F)CN1CCC[C@H](c2ccncc2)C1 ZINC000451004454 202332355 /nfs/dbraw/zinc/33/23/55/202332355.db2.gz PBDMJWDLYDMADF-KBPBESRZSA-N 0 3 236.334 3.009 20 0 BGADHN CC[C@H](F)CN1CCC[C@@H](c2ccncc2)C1 ZINC000451004455 202331718 /nfs/dbraw/zinc/33/17/18/202331718.db2.gz PBDMJWDLYDMADF-KGLIPLIRSA-N 0 3 236.334 3.009 20 0 BGADHN CC[C@@H](F)CN1CCC[C@H](c2ccncc2)C1 ZINC000451004456 202331203 /nfs/dbraw/zinc/33/12/03/202331203.db2.gz PBDMJWDLYDMADF-UONOGXRCSA-N 0 3 236.334 3.009 20 0 BGADHN CC[C@@H](F)CN1CCC[C@@H](c2ccncc2)C1 ZINC000451004457 202331838 /nfs/dbraw/zinc/33/18/38/202331838.db2.gz PBDMJWDLYDMADF-ZIAGYGMSSA-N 0 3 236.334 3.009 20 0 BGADHN CCN1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000451012541 202332250 /nfs/dbraw/zinc/33/22/50/202332250.db2.gz CWNMCEMWPIUFBS-GFCCVEGCSA-N 0 3 249.745 3.373 20 0 BGADHN CCN1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000451012542 202332511 /nfs/dbraw/zinc/33/25/11/202332511.db2.gz CWNMCEMWPIUFBS-LBPRGKRZSA-N 0 3 249.745 3.373 20 0 BGADHN COc1cc([C@@H](C)NCC2=CCCCC2)ccn1 ZINC000451026120 206106386 /nfs/dbraw/zinc/10/63/86/206106386.db2.gz DSJBURQZIQAOLU-GFCCVEGCSA-N 0 3 246.354 3.241 20 0 BGADHN COc1cc([C@H](C)NCC2=CCCCC2)ccn1 ZINC000451026121 206106359 /nfs/dbraw/zinc/10/63/59/206106359.db2.gz DSJBURQZIQAOLU-LBPRGKRZSA-N 0 3 246.354 3.241 20 0 BGADHN CC1(CN2CCC=C(c3cccnc3)C2)CCC1 ZINC000451026774 385622062 /nfs/dbraw/zinc/62/20/62/385622062.db2.gz OJATWFXLBJGDNV-UHFFFAOYSA-N 0 3 242.366 3.361 20 0 BGADHN C[C@@H]1CN(CC2=CCCCC2)CCC1(F)F ZINC000451040719 202337113 /nfs/dbraw/zinc/33/71/13/202337113.db2.gz HFYONICWFPNBMV-LLVKDONJSA-N 0 3 229.314 3.464 20 0 BGADHN C[C@H]1CN(CC2=CCCCC2)CCC1(F)F ZINC000451040720 202337143 /nfs/dbraw/zinc/33/71/43/202337143.db2.gz HFYONICWFPNBMV-NSHDSACASA-N 0 3 229.314 3.464 20 0 BGADHN CC1(C)CN(CC2=CCCCC2)[C@H]1[C@H]1CCCO1 ZINC000451045957 202336421 /nfs/dbraw/zinc/33/64/21/202336421.db2.gz TYKQJFXLOOWBIS-CABCVRRESA-N 0 3 249.398 3.376 20 0 BGADHN CC1(C)CN(CC2=CCCCC2)[C@H]1[C@@H]1CCCO1 ZINC000451045958 202335886 /nfs/dbraw/zinc/33/58/86/202335886.db2.gz TYKQJFXLOOWBIS-GJZGRUSLSA-N 0 3 249.398 3.376 20 0 BGADHN CC1(C)CN(CC2=CCCCC2)[C@@H]1[C@H]1CCCO1 ZINC000451045959 202336160 /nfs/dbraw/zinc/33/61/60/202336160.db2.gz TYKQJFXLOOWBIS-HUUCEWRRSA-N 0 3 249.398 3.376 20 0 BGADHN CC1(C)CN(CC2=CCCCC2)[C@@H]1[C@@H]1CCCO1 ZINC000451045960 202337266 /nfs/dbraw/zinc/33/72/66/202337266.db2.gz TYKQJFXLOOWBIS-LSDHHAIUSA-N 0 3 249.398 3.376 20 0 BGADHN Cc1ccoc1CN(C)C[C@@H]1CCC(F)(F)C1 ZINC000451054352 202341147 /nfs/dbraw/zinc/34/11/47/202341147.db2.gz KUKFFQMYCHWIMU-LLVKDONJSA-N 0 3 243.297 3.455 20 0 BGADHN Cc1ccoc1CN(C)C[C@H]1CCC(F)(F)C1 ZINC000451054370 202340150 /nfs/dbraw/zinc/34/01/50/202340150.db2.gz KUKFFQMYCHWIMU-NSHDSACASA-N 0 3 243.297 3.455 20 0 BGADHN C[C@]12CCN(CC3=CCCCC3)C[C@H]1C2(F)F ZINC000451055330 202340738 /nfs/dbraw/zinc/34/07/38/202340738.db2.gz DFAOCSYFPNPJOE-OLZOCXBDSA-N 0 3 241.325 3.464 20 0 BGADHN C[C@@]12CCN(CC3=CCCCC3)C[C@@H]1C2(F)F ZINC000451055333 202339706 /nfs/dbraw/zinc/33/97/06/202339706.db2.gz DFAOCSYFPNPJOE-QWHCGFSZSA-N 0 3 241.325 3.464 20 0 BGADHN CCC(=O)CCCN(C)Cc1cccc(C)c1C ZINC000451055904 202339780 /nfs/dbraw/zinc/33/97/80/202339780.db2.gz GCTZVJATJNUHNF-UHFFFAOYSA-N 0 3 247.382 3.495 20 0 BGADHN CC[C@@H]1CCN1Cc1ccccc1OC1CC1 ZINC000451063442 202343727 /nfs/dbraw/zinc/34/37/27/202343727.db2.gz GBYNUZLEPFIEDB-CYBMUJFWSA-N 0 3 231.339 3.212 20 0 BGADHN CC[C@H]1CCN1Cc1ccccc1OC1CC1 ZINC000451063443 202342016 /nfs/dbraw/zinc/34/20/16/202342016.db2.gz GBYNUZLEPFIEDB-ZDUSSCGKSA-N 0 3 231.339 3.212 20 0 BGADHN CC[C@H]1CCN1CCCC(=O)c1ccc(F)cc1 ZINC000451064652 202342588 /nfs/dbraw/zinc/34/25/88/202342588.db2.gz IXMQFPXVGFMSNE-AWEZNQCLSA-N 0 3 249.329 3.273 20 0 BGADHN CC[C@@H]1CCN1CCCC(=O)c1ccc(F)cc1 ZINC000451064653 202344027 /nfs/dbraw/zinc/34/40/27/202344027.db2.gz IXMQFPXVGFMSNE-CQSZACIVSA-N 0 3 249.329 3.273 20 0 BGADHN CCc1nocc1CN(C)CC12CCC(CC1)C2 ZINC000451069782 385642346 /nfs/dbraw/zinc/64/23/46/385642346.db2.gz GBUNFRUWSTYNHC-UHFFFAOYSA-N 0 3 248.370 3.249 20 0 BGADHN FC[C@H]1CCCN1CCc1ccc(Cl)cc1 ZINC000451072066 202346590 /nfs/dbraw/zinc/34/65/90/202346590.db2.gz DIKIYJVQZUYNJW-CYBMUJFWSA-N 0 3 241.737 3.316 20 0 BGADHN FC[C@@H]1CCCN1CCc1ccc(Cl)cc1 ZINC000451072067 202344721 /nfs/dbraw/zinc/34/47/21/202344721.db2.gz DIKIYJVQZUYNJW-ZDUSSCGKSA-N 0 3 241.737 3.316 20 0 BGADHN C[C@@]1(F)CCCN(C[C@@H]2Cc3ccccc32)C1 ZINC000451111858 202353829 /nfs/dbraw/zinc/35/38/29/202353829.db2.gz GSTVNSVIWOYESR-DZGCQCFKSA-N 0 3 233.330 3.150 20 0 BGADHN C[C@]1(F)CCCN(C[C@H]2Cc3ccccc32)C1 ZINC000451111860 202353365 /nfs/dbraw/zinc/35/33/65/202353365.db2.gz GSTVNSVIWOYESR-HIFRSBDPSA-N 0 3 233.330 3.150 20 0 BGADHN C[C@@]1(F)CCCN(C[C@H]2Cc3ccccc32)C1 ZINC000451111862 202355612 /nfs/dbraw/zinc/35/56/12/202355612.db2.gz GSTVNSVIWOYESR-UKRRQHHQSA-N 0 3 233.330 3.150 20 0 BGADHN C[C@]1(F)CCCN(C[C@@H]2Cc3ccccc32)C1 ZINC000451111864 202355752 /nfs/dbraw/zinc/35/57/52/202355752.db2.gz GSTVNSVIWOYESR-ZFWWWQNUSA-N 0 3 233.330 3.150 20 0 BGADHN CC(C)(C)OCCCCN1CCC[C@](C)(F)C1 ZINC000451114134 202353551 /nfs/dbraw/zinc/35/35/51/202353551.db2.gz LBTSKCUUMCPOJW-AWEZNQCLSA-N 0 3 245.382 3.406 20 0 BGADHN CC(C)(C)OCCCCN1CCC[C@@](C)(F)C1 ZINC000451114135 202354871 /nfs/dbraw/zinc/35/48/71/202354871.db2.gz LBTSKCUUMCPOJW-CQSZACIVSA-N 0 3 245.382 3.406 20 0 BGADHN C[C@@]1(F)CCCN(C[C@@H]2CCC(F)(F)C2)C1 ZINC000451114869 202354916 /nfs/dbraw/zinc/35/49/16/202354916.db2.gz NBKMOUCPQASQFR-GHMZBOCLSA-N 0 3 235.293 3.246 20 0 BGADHN C[C@]1(F)CCCN(C[C@@H]2CCC(F)(F)C2)C1 ZINC000451114870 202355725 /nfs/dbraw/zinc/35/57/25/202355725.db2.gz NBKMOUCPQASQFR-MNOVXSKESA-N 0 3 235.293 3.246 20 0 BGADHN C[C@]1(F)CCCN(C[C@H]2CCC(F)(F)C2)C1 ZINC000451114871 202354850 /nfs/dbraw/zinc/35/48/50/202354850.db2.gz NBKMOUCPQASQFR-QWRGUYRKSA-N 0 3 235.293 3.246 20 0 BGADHN C[C@@]1(F)CCCN(C[C@H]2CCC(F)(F)C2)C1 ZINC000451114872 202355123 /nfs/dbraw/zinc/35/51/23/202355123.db2.gz NBKMOUCPQASQFR-WDEREUQCSA-N 0 3 235.293 3.246 20 0 BGADHN C[C@]1(F)CCCN([C@H]2C[C@H]2c2ccccc2)C1 ZINC000451115913 202355390 /nfs/dbraw/zinc/35/53/90/202355390.db2.gz PQQVBVUIEQDZTI-KKUMJFAQSA-N 0 3 233.330 3.367 20 0 BGADHN C[C@]1(F)CCCN([C@@H]2C[C@H]2c2ccccc2)C1 ZINC000451115914 202353328 /nfs/dbraw/zinc/35/33/28/202353328.db2.gz PQQVBVUIEQDZTI-ZNMIVQPWSA-N 0 3 233.330 3.367 20 0 BGADHN C[C@@]1(F)CCCN(CC2=CCCCC2)C1 ZINC000451117840 202357073 /nfs/dbraw/zinc/35/70/73/202357073.db2.gz WLBGLPODVWFEIS-CYBMUJFWSA-N 0 3 211.324 3.311 20 0 BGADHN C[C@]1(F)CCCN(CC2=CCCCC2)C1 ZINC000451117841 202356592 /nfs/dbraw/zinc/35/65/92/202356592.db2.gz WLBGLPODVWFEIS-ZDUSSCGKSA-N 0 3 211.324 3.311 20 0 BGADHN CC(C)N(CC/C=C\c1ccccc1)C1COC1 ZINC000451118896 385659549 /nfs/dbraw/zinc/65/95/49/385659549.db2.gz BKTYIIVFIKVWJM-POHAHGRESA-N 0 3 245.366 3.199 20 0 BGADHN CC(C)N(CC/C=C/c1ccccc1)C1COC1 ZINC000451118897 385659360 /nfs/dbraw/zinc/65/93/60/385659360.db2.gz BKTYIIVFIKVWJM-UXBLZVDNSA-N 0 3 245.366 3.199 20 0 BGADHN CC(C)CC[C@H]1CC[C@H](NCc2nccn2C)C1 ZINC000451119741 202356030 /nfs/dbraw/zinc/35/60/30/202356030.db2.gz HBLZUHRJOQGSCM-KBPBESRZSA-N 0 3 249.402 3.115 20 0 BGADHN CC(C)CC[C@@H]1CC[C@H](NCc2nccn2C)C1 ZINC000451119742 202358750 /nfs/dbraw/zinc/35/87/50/202358750.db2.gz HBLZUHRJOQGSCM-KGLIPLIRSA-N 0 3 249.402 3.115 20 0 BGADHN CC(C)CC[C@H]1CC[C@@H](NCc2nccn2C)C1 ZINC000451119743 202356510 /nfs/dbraw/zinc/35/65/10/202356510.db2.gz HBLZUHRJOQGSCM-UONOGXRCSA-N 0 3 249.402 3.115 20 0 BGADHN CC(C)CC[C@@H]1CC[C@@H](NCc2nccn2C)C1 ZINC000451119744 202357947 /nfs/dbraw/zinc/35/79/47/202357947.db2.gz HBLZUHRJOQGSCM-ZIAGYGMSSA-N 0 3 249.402 3.115 20 0 BGADHN Cc1ccccc1CCN(C)CCOC1CCC1 ZINC000451165239 202367436 /nfs/dbraw/zinc/36/74/36/202367436.db2.gz JYXQXMHCMSULOR-UHFFFAOYSA-N 0 3 247.382 3.038 20 0 BGADHN Cc1ccccc1CCN(C)C[C@H]1CC[C@@H](C)O1 ZINC000451165866 202367670 /nfs/dbraw/zinc/36/76/70/202367670.db2.gz MLFZOXNYIJEBSB-GDBMZVCRSA-N 0 3 247.382 3.037 20 0 BGADHN Cc1ccccc1CCN(C)C[C@H]1CC[C@H](C)O1 ZINC000451165867 202368734 /nfs/dbraw/zinc/36/87/34/202368734.db2.gz MLFZOXNYIJEBSB-GOEBONIOSA-N 0 3 247.382 3.037 20 0 BGADHN Cc1ccccc1CCN(C)C[C@@H]1CC[C@H](C)O1 ZINC000451165868 202367245 /nfs/dbraw/zinc/36/72/45/202367245.db2.gz MLFZOXNYIJEBSB-HOCLYGCPSA-N 0 3 247.382 3.037 20 0 BGADHN Cc1ccccc1CCN(C)C[C@@H]1CC[C@@H](C)O1 ZINC000451165869 202368374 /nfs/dbraw/zinc/36/83/74/202368374.db2.gz MLFZOXNYIJEBSB-ZBFHGGJFSA-N 0 3 247.382 3.037 20 0 BGADHN CC[C@H](F)CN(C)CCc1ccccc1C ZINC000451167237 202368560 /nfs/dbraw/zinc/36/85/60/202368560.db2.gz RALMDWFQQNEHHM-AWEZNQCLSA-N 0 3 223.335 3.217 20 0 BGADHN CC[C@@H](F)CN(C)CCc1ccccc1C ZINC000451167238 202366758 /nfs/dbraw/zinc/36/67/58/202366758.db2.gz RALMDWFQQNEHHM-CQSZACIVSA-N 0 3 223.335 3.217 20 0 BGADHN Cc1ccccc1CCN(C)C[C@@H]1CCCCO1 ZINC000451168486 202368659 /nfs/dbraw/zinc/36/86/59/202368659.db2.gz KBARMSSDFKRDAF-INIZCTEOSA-N 0 3 247.382 3.038 20 0 BGADHN Cc1ccccc1CCN(C)C[C@H]1CCCCO1 ZINC000451168487 202368404 /nfs/dbraw/zinc/36/84/04/202368404.db2.gz KBARMSSDFKRDAF-MRXNPFEDSA-N 0 3 247.382 3.038 20 0 BGADHN C[C@H](NC1CC(C)(F)C1)c1ccccc1F ZINC000451180903 202370465 /nfs/dbraw/zinc/37/04/65/202370465.db2.gz HDGIHXLIRRJTLI-JBLZRFIASA-N 0 3 225.282 3.367 20 0 BGADHN C[C@@H](NC1CC(C)(F)C1)c1ccccc1F ZINC000451180904 202369337 /nfs/dbraw/zinc/36/93/37/202369337.db2.gz HDGIHXLIRRJTLI-TTXORMCVSA-N 0 3 225.282 3.367 20 0 BGADHN C[C@@H](CCc1ccccc1)N1CC[C@@H](F)C1 ZINC000451181056 202370053 /nfs/dbraw/zinc/37/00/53/202370053.db2.gz DPUDJGFBENEPKZ-GXTWGEPZSA-N 0 3 221.319 3.052 20 0 BGADHN C[C@@H](CCc1ccccc1)N1CC[C@H](F)C1 ZINC000451181057 202370381 /nfs/dbraw/zinc/37/03/81/202370381.db2.gz DPUDJGFBENEPKZ-JSGCOSHPSA-N 0 3 221.319 3.052 20 0 BGADHN C[C@H](CCc1ccccc1)N1CC[C@H](F)C1 ZINC000451181058 202369096 /nfs/dbraw/zinc/36/90/96/202369096.db2.gz DPUDJGFBENEPKZ-OCCSQVGLSA-N 0 3 221.319 3.052 20 0 BGADHN C[C@H](CCc1ccccc1)N1CC[C@@H](F)C1 ZINC000451181059 202369814 /nfs/dbraw/zinc/36/98/14/202369814.db2.gz DPUDJGFBENEPKZ-TZMCWYRMSA-N 0 3 221.319 3.052 20 0 BGADHN Cc1cccc([C@H](C)N2CC[C@H](F)C2)c1 ZINC000451181392 202371276 /nfs/dbraw/zinc/37/12/76/202371276.db2.gz FJEPSEJXLKUHNC-AAEUAGOBSA-N 0 3 207.292 3.100 20 0 BGADHN Cc1cccc([C@@H](C)N2CC[C@@H](F)C2)c1 ZINC000451181393 202369131 /nfs/dbraw/zinc/36/91/31/202369131.db2.gz FJEPSEJXLKUHNC-DGCLKSJQSA-N 0 3 207.292 3.100 20 0 BGADHN Cc1cccc([C@H](C)N2CC[C@@H](F)C2)c1 ZINC000451181394 202370309 /nfs/dbraw/zinc/37/03/09/202370309.db2.gz FJEPSEJXLKUHNC-WCQYABFASA-N 0 3 207.292 3.100 20 0 BGADHN Cc1cccc([C@@H](C)N2CC[C@H](F)C2)c1 ZINC000451181395 202371366 /nfs/dbraw/zinc/37/13/66/202371366.db2.gz FJEPSEJXLKUHNC-YPMHNXCESA-N 0 3 207.292 3.100 20 0 BGADHN Cc1ccccc1[C@@H](C)N1CC[C@H](F)C1 ZINC000451183669 202373539 /nfs/dbraw/zinc/37/35/39/202373539.db2.gz JIMUBEYWYBRPRD-NEPJUHHUSA-N 0 3 207.292 3.100 20 0 BGADHN Cc1ccccc1[C@H](C)N1CC[C@@H](F)C1 ZINC000451183670 202372335 /nfs/dbraw/zinc/37/23/35/202372335.db2.gz JIMUBEYWYBRPRD-NWDGAFQWSA-N 0 3 207.292 3.100 20 0 BGADHN Cc1ccccc1[C@H](C)N1CC[C@H](F)C1 ZINC000451183671 202371083 /nfs/dbraw/zinc/37/10/83/202371083.db2.gz JIMUBEYWYBRPRD-RYUDHWBXSA-N 0 3 207.292 3.100 20 0 BGADHN Cc1ccccc1[C@@H](C)N1CC[C@@H](F)C1 ZINC000451183672 202370691 /nfs/dbraw/zinc/37/06/91/202370691.db2.gz JIMUBEYWYBRPRD-VXGBXAGGSA-N 0 3 207.292 3.100 20 0 BGADHN CCC1(NCc2nc(-c3ccccc3)c[nH]2)CC1 ZINC000451186616 202373898 /nfs/dbraw/zinc/37/38/98/202373898.db2.gz QOBRNYOHZIPBBR-UHFFFAOYSA-N 0 3 241.338 3.109 20 0 BGADHN F[C@H]1CCN([C@@H]2CCCc3ccccc32)C1 ZINC000451187674 202373685 /nfs/dbraw/zinc/37/36/85/202373685.db2.gz NOVSOPROHJTDPM-GXTWGEPZSA-N 0 3 219.303 3.108 20 0 BGADHN F[C@H]1CCN([C@H]2CCCc3ccccc32)C1 ZINC000451187677 202373416 /nfs/dbraw/zinc/37/34/16/202373416.db2.gz NOVSOPROHJTDPM-JSGCOSHPSA-N 0 3 219.303 3.108 20 0 BGADHN F[C@@H]1CCN([C@H]2CCCc3ccccc32)C1 ZINC000451187681 202371607 /nfs/dbraw/zinc/37/16/07/202371607.db2.gz NOVSOPROHJTDPM-OCCSQVGLSA-N 0 3 219.303 3.108 20 0 BGADHN F[C@@H]1CCN([C@@H]2CCCc3ccccc32)C1 ZINC000451187684 202372964 /nfs/dbraw/zinc/37/29/64/202372964.db2.gz NOVSOPROHJTDPM-TZMCWYRMSA-N 0 3 219.303 3.108 20 0 BGADHN F[C@@H]1CCN(CCCc2ccc(Cl)cc2)C1 ZINC000451190997 202375310 /nfs/dbraw/zinc/37/53/10/202375310.db2.gz QWISBFZGAMPJGN-CYBMUJFWSA-N 0 3 241.737 3.316 20 0 BGADHN F[C@H]1CCN(CCCc2ccc(Cl)cc2)C1 ZINC000451190998 202375531 /nfs/dbraw/zinc/37/55/31/202375531.db2.gz QWISBFZGAMPJGN-ZDUSSCGKSA-N 0 3 241.737 3.316 20 0 BGADHN CC[C@H](c1ccccc1)N1CC[C@@H](F)C1 ZINC000451191400 202374794 /nfs/dbraw/zinc/37/47/94/202374794.db2.gz RJGNVXGJYDEAES-CHWSQXEVSA-N 0 3 207.292 3.182 20 0 BGADHN CC[C@@H](c1ccccc1)N1CC[C@@H](F)C1 ZINC000451191402 202374383 /nfs/dbraw/zinc/37/43/83/202374383.db2.gz RJGNVXGJYDEAES-OLZOCXBDSA-N 0 3 207.292 3.182 20 0 BGADHN CC[C@H](c1ccccc1)N1CC[C@H](F)C1 ZINC000451191403 202377330 /nfs/dbraw/zinc/37/73/30/202377330.db2.gz RJGNVXGJYDEAES-QWHCGFSZSA-N 0 3 207.292 3.182 20 0 BGADHN CC[C@@H](c1ccccc1)N1CC[C@H](F)C1 ZINC000451191405 202374719 /nfs/dbraw/zinc/37/47/19/202374719.db2.gz RJGNVXGJYDEAES-STQMWFEESA-N 0 3 207.292 3.182 20 0 BGADHN F[C@H]1CCN(CCc2ccc3ccccc3c2)C1 ZINC000451196307 202376412 /nfs/dbraw/zinc/37/64/12/202376412.db2.gz YWKFKATZXOIDGN-INIZCTEOSA-N 0 3 243.325 3.426 20 0 BGADHN F[C@@H]1CCN(CCc2ccc3ccccc3c2)C1 ZINC000451196308 202374726 /nfs/dbraw/zinc/37/47/26/202374726.db2.gz YWKFKATZXOIDGN-MRXNPFEDSA-N 0 3 243.325 3.426 20 0 BGADHN F[C@H]1CCN(CCCCc2ccccc2)C1 ZINC000451202291 202380368 /nfs/dbraw/zinc/38/03/68/202380368.db2.gz WSMPUWJYCHHADX-AWEZNQCLSA-N 0 3 221.319 3.053 20 0 BGADHN F[C@@H]1CCN(CCCCc2ccccc2)C1 ZINC000451202292 202377691 /nfs/dbraw/zinc/37/76/91/202377691.db2.gz WSMPUWJYCHHADX-CQSZACIVSA-N 0 3 221.319 3.053 20 0 BGADHN F[C@H]1CCN(CC/C=C/c2ccccc2)C1 ZINC000451202614 202380023 /nfs/dbraw/zinc/38/00/23/202380023.db2.gz XOOAXRWNSLQAQM-PXYYCUNGSA-N 0 3 219.303 3.134 20 0 BGADHN F[C@@H]1CCN(CC/C=C\c2ccccc2)C1 ZINC000451202615 202380112 /nfs/dbraw/zinc/38/01/12/202380112.db2.gz XOOAXRWNSLQAQM-SMGNDMQFSA-N 0 3 219.303 3.134 20 0 BGADHN F[C@H]1CCN(CC/C=C\c2ccccc2)C1 ZINC000451202616 202380018 /nfs/dbraw/zinc/38/00/18/202380018.db2.gz XOOAXRWNSLQAQM-VCDPDADVSA-N 0 3 219.303 3.134 20 0 BGADHN F[C@@H]1CCN(CC/C=C/c2ccccc2)C1 ZINC000451202617 202379412 /nfs/dbraw/zinc/37/94/12/202379412.db2.gz XOOAXRWNSLQAQM-YOIVXCQUSA-N 0 3 219.303 3.134 20 0 BGADHN CCC1(NCc2ncc(C3CC3)o2)CCCC1 ZINC000451278747 202395095 /nfs/dbraw/zinc/39/50/95/202395095.db2.gz VMBCLINJOUMHNH-UHFFFAOYSA-N 0 3 234.343 3.364 20 0 BGADHN CCc1nc(C)c(CNC2(CC)CCCC2)o1 ZINC000451279125 385772197 /nfs/dbraw/zinc/77/21/97/385772197.db2.gz WDIODVHIARACFM-UHFFFAOYSA-N 0 3 236.359 3.358 20 0 BGADHN CCC1(NCc2nccn2C(C)C)CCCC1 ZINC000451279542 202395125 /nfs/dbraw/zinc/39/51/25/202395125.db2.gz XQWSLJQAWGWSDZ-UHFFFAOYSA-N 0 3 235.375 3.276 20 0 BGADHN CC(C)C[C@@]1(C)CCCN1Cc1ccon1 ZINC000451284995 385774677 /nfs/dbraw/zinc/77/46/77/385774677.db2.gz ACCYSPWYEAGODL-CYBMUJFWSA-N 0 3 222.332 3.075 20 0 BGADHN CC(C)C[C@]1(C)CCCN1Cc1ccon1 ZINC000451284997 385773625 /nfs/dbraw/zinc/77/36/25/385773625.db2.gz ACCYSPWYEAGODL-ZDUSSCGKSA-N 0 3 222.332 3.075 20 0 BGADHN Cc1cc(CN2CCC[C@@]2(C)CC(C)C)nn1C ZINC000451285413 202393938 /nfs/dbraw/zinc/39/39/38/202393938.db2.gz BGSQFQUXZYAKRD-HNNXBMFYSA-N 0 3 249.402 3.129 20 0 BGADHN Cc1cc(CN2CCC[C@]2(C)CC(C)C)nn1C ZINC000451285414 202395402 /nfs/dbraw/zinc/39/54/02/202395402.db2.gz BGSQFQUXZYAKRD-OAHLLOKOSA-N 0 3 249.402 3.129 20 0 BGADHN Cc1cc(CN2CCC[C@@]2(C)CC(C)C)no1 ZINC000451285428 202393512 /nfs/dbraw/zinc/39/35/12/202393512.db2.gz BIIPQCPZJGPRHC-AWEZNQCLSA-N 0 3 236.359 3.384 20 0 BGADHN Cc1cc(CN2CCC[C@]2(C)CC(C)C)no1 ZINC000451285429 202394033 /nfs/dbraw/zinc/39/40/33/202394033.db2.gz BIIPQCPZJGPRHC-CQSZACIVSA-N 0 3 236.359 3.384 20 0 BGADHN Cc1cnc(CN2CCC[C@@]2(C)CC(C)C)o1 ZINC000451291287 202396185 /nfs/dbraw/zinc/39/61/85/202396185.db2.gz NQFOTZCOPNXRSY-AWEZNQCLSA-N 0 3 236.359 3.384 20 0 BGADHN Cc1cnc(CN2CCC[C@]2(C)CC(C)C)o1 ZINC000451291288 202396527 /nfs/dbraw/zinc/39/65/27/202396527.db2.gz NQFOTZCOPNXRSY-CQSZACIVSA-N 0 3 236.359 3.384 20 0 BGADHN Cc1cnc(CN2CCC[C@@]2(C)CC(C)C)nc1 ZINC000451292283 202397720 /nfs/dbraw/zinc/39/77/20/202397720.db2.gz SPEHLBIZFVVDHT-HNNXBMFYSA-N 0 3 247.386 3.186 20 0 BGADHN Cc1cnc(CN2CCC[C@]2(C)CC(C)C)nc1 ZINC000451292284 202398423 /nfs/dbraw/zinc/39/84/23/202398423.db2.gz SPEHLBIZFVVDHT-OAHLLOKOSA-N 0 3 247.386 3.186 20 0 BGADHN Cc1ccnc(CN2CCC[C@@]2(C)CC(C)C)n1 ZINC000451292670 202398405 /nfs/dbraw/zinc/39/84/05/202398405.db2.gz UMYLAOPHCXCTCS-HNNXBMFYSA-N 0 3 247.386 3.186 20 0 BGADHN Cc1ccnc(CN2CCC[C@]2(C)CC(C)C)n1 ZINC000451292671 202397405 /nfs/dbraw/zinc/39/74/05/202397405.db2.gz UMYLAOPHCXCTCS-OAHLLOKOSA-N 0 3 247.386 3.186 20 0 BGADHN CS[C@H]1CCN([C@@H](C)c2ccc(F)cc2)C1 ZINC000451319359 388262219 /nfs/dbraw/zinc/26/22/19/388262219.db2.gz HOEZHPYIRXZIEE-GWCFXTLKSA-N 0 3 239.359 3.324 20 0 BGADHN CS[C@@H]1CCN([C@@H](C)c2ccc(F)cc2)C1 ZINC000451319360 388262718 /nfs/dbraw/zinc/26/27/18/388262718.db2.gz HOEZHPYIRXZIEE-GXFFZTMASA-N 0 3 239.359 3.324 20 0 BGADHN CS[C@H]1CCN([C@H](C)c2ccc(F)cc2)C1 ZINC000451319361 388262667 /nfs/dbraw/zinc/26/26/67/388262667.db2.gz HOEZHPYIRXZIEE-MFKMUULPSA-N 0 3 239.359 3.324 20 0 BGADHN CS[C@@H]1CCN([C@H](C)c2ccc(F)cc2)C1 ZINC000451319362 388262576 /nfs/dbraw/zinc/26/25/76/388262576.db2.gz HOEZHPYIRXZIEE-ZWNOBZJWSA-N 0 3 239.359 3.324 20 0 BGADHN CCCCN(C)[C@H](CO)c1ccc(Cl)cc1 ZINC000451320365 388262571 /nfs/dbraw/zinc/26/25/71/388262571.db2.gz AAPZZZZOMJVBOS-CYBMUJFWSA-N 0 3 241.762 3.105 20 0 BGADHN CCCCN(C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000451320366 388262700 /nfs/dbraw/zinc/26/27/00/388262700.db2.gz AAPZZZZOMJVBOS-ZDUSSCGKSA-N 0 3 241.762 3.105 20 0 BGADHN CS[C@@H]1CCN(CCCCC(F)(F)F)C1 ZINC000451322579 397971743 /nfs/dbraw/zinc/97/17/43/397971743.db2.gz GCQZNWWBVPAZEA-SECBINFHSA-N 0 3 241.322 3.156 20 0 BGADHN CS[C@H]1CCN(CCCCC(F)(F)F)C1 ZINC000451322583 397972149 /nfs/dbraw/zinc/97/21/49/397972149.db2.gz GCQZNWWBVPAZEA-VIFPVBQESA-N 0 3 241.322 3.156 20 0 BGADHN CCCN1CC2(CCCC2)N(CCC)C[C@@H]1C ZINC000451334774 388263115 /nfs/dbraw/zinc/26/31/15/388263115.db2.gz BEJDFAVVKYQLGO-AWEZNQCLSA-N 0 3 238.419 3.125 20 0 BGADHN CCCN1CC2(CCCC2)N(CCC)C[C@H]1C ZINC000451334777 388263406 /nfs/dbraw/zinc/26/34/06/388263406.db2.gz BEJDFAVVKYQLGO-CQSZACIVSA-N 0 3 238.419 3.125 20 0 BGADHN CN(CCCc1ccsc1)Cc1ccccn1 ZINC000451367225 388265976 /nfs/dbraw/zinc/26/59/76/388265976.db2.gz KWRZXUSANBAQBS-UHFFFAOYSA-N 0 3 246.379 3.208 20 0 BGADHN CN(CCCCC(F)(F)F)Cc1ccccn1 ZINC000451369297 388266054 /nfs/dbraw/zinc/26/60/54/388266054.db2.gz RXQPCOHTSQMRLG-UHFFFAOYSA-N 0 3 246.276 3.246 20 0 BGADHN CN(CCC1=CCCCC1)Cc1ccccn1 ZINC000451369736 388265476 /nfs/dbraw/zinc/26/54/76/388265476.db2.gz SGEMZSPBAOSVRU-UHFFFAOYSA-N 0 3 230.355 3.404 20 0 BGADHN CCC(C)(C)CCN(C)Cc1ccccn1 ZINC000451378312 388267623 /nfs/dbraw/zinc/26/76/23/388267623.db2.gz RRTJNYSWZRYDQU-UHFFFAOYSA-N 0 3 220.360 3.340 20 0 BGADHN CN(CCCC1CCCC1)Cc1ccccn1 ZINC000451381372 388267637 /nfs/dbraw/zinc/26/76/37/388267637.db2.gz YCYYZDSUZQYQEU-UHFFFAOYSA-N 0 3 232.371 3.484 20 0 BGADHN FCC1CCN(CCCCC(F)(F)F)CC1 ZINC000451393718 388269646 /nfs/dbraw/zinc/26/96/46/388269646.db2.gz NFLWFMMFNHTZJB-UHFFFAOYSA-N 0 3 241.272 3.401 20 0 BGADHN C[C@@H]1C[C@@H](C(F)(F)F)CCN1CCCF ZINC000451403318 388270461 /nfs/dbraw/zinc/27/04/61/388270461.db2.gz DDQRCGQMDJDTPM-BDAKNGLRSA-N 0 3 227.245 3.009 20 0 BGADHN C[C@H]1C[C@H](C(F)(F)F)CCN1CCCF ZINC000451403319 388270005 /nfs/dbraw/zinc/27/00/05/388270005.db2.gz DDQRCGQMDJDTPM-DTWKUNHWSA-N 0 3 227.245 3.009 20 0 BGADHN C[C@H]1C[C@@H](C(F)(F)F)CCN1CCCF ZINC000451403320 388270284 /nfs/dbraw/zinc/27/02/84/388270284.db2.gz DDQRCGQMDJDTPM-IUCAKERBSA-N 0 3 227.245 3.009 20 0 BGADHN C[C@@H]1C[C@H](C(F)(F)F)CCN1CCCF ZINC000451403321 388270495 /nfs/dbraw/zinc/27/04/95/388270495.db2.gz DDQRCGQMDJDTPM-RKDXNWHRSA-N 0 3 227.245 3.009 20 0 BGADHN C[C@H](F)CCN1CC[C@H](C(F)(F)F)C[C@H]1C ZINC000451410055 385827859 /nfs/dbraw/zinc/82/78/59/385827859.db2.gz RPLBULYLUBCAPG-AEJSXWLSSA-N 0 3 241.272 3.397 20 0 BGADHN C[C@H](F)CCN1CC[C@H](C(F)(F)F)C[C@@H]1C ZINC000451410056 385827932 /nfs/dbraw/zinc/82/79/32/385827932.db2.gz RPLBULYLUBCAPG-GUBZILKMSA-N 0 3 241.272 3.397 20 0 BGADHN C[C@H](F)CCN1CC[C@@H](C(F)(F)F)C[C@H]1C ZINC000451410057 385827274 /nfs/dbraw/zinc/82/72/74/385827274.db2.gz RPLBULYLUBCAPG-IVZWLZJFSA-N 0 3 241.272 3.397 20 0 BGADHN C[C@H](F)CCN1CC[C@@H](C(F)(F)F)C[C@@H]1C ZINC000451410058 385827264 /nfs/dbraw/zinc/82/72/64/385827264.db2.gz RPLBULYLUBCAPG-LPEHRKFASA-N 0 3 241.272 3.397 20 0 BGADHN C[C@@H]1C[C@H](C(F)(F)F)CCN1CCCCF ZINC000451410915 388269945 /nfs/dbraw/zinc/26/99/45/388269945.db2.gz UCMRHTDXRNXVLR-NXEZZACHSA-N 0 3 241.272 3.399 20 0 BGADHN C[C@H]1C[C@@H](C(F)(F)F)CCN1CCCCF ZINC000451410916 388270558 /nfs/dbraw/zinc/27/05/58/388270558.db2.gz UCMRHTDXRNXVLR-UWVGGRQHSA-N 0 3 241.272 3.399 20 0 BGADHN C[C@H]1C[C@H](C(F)(F)F)CCN1CCCCF ZINC000451410917 388270152 /nfs/dbraw/zinc/27/01/52/388270152.db2.gz UCMRHTDXRNXVLR-VHSXEESVSA-N 0 3 241.272 3.399 20 0 BGADHN C[C@@H]1C[C@@H](C(F)(F)F)CCN1CCCCF ZINC000451410918 388270228 /nfs/dbraw/zinc/27/02/28/388270228.db2.gz UCMRHTDXRNXVLR-ZJUUUORDSA-N 0 3 241.272 3.399 20 0 BGADHN CCC[C@@H](NCc1cc(C)on1)C(C)(C)C ZINC000451421015 388271197 /nfs/dbraw/zinc/27/11/97/388271197.db2.gz NYJLNBBTRHWLIF-GFCCVEGCSA-N 0 3 224.348 3.287 20 0 BGADHN CCC[C@H](NCc1cc(C)on1)C(C)(C)C ZINC000451421216 388270858 /nfs/dbraw/zinc/27/08/58/388270858.db2.gz NYJLNBBTRHWLIF-LBPRGKRZSA-N 0 3 224.348 3.287 20 0 BGADHN CSCCN1CC[C@H](C(F)(F)F)C[C@H]1C ZINC000451424327 388271878 /nfs/dbraw/zinc/27/18/78/388271878.db2.gz WWTJHAHCUYMRGC-BDAKNGLRSA-N 0 3 241.322 3.012 20 0 BGADHN CSCCN1CC[C@@H](C(F)(F)F)C[C@@H]1C ZINC000451424330 388272386 /nfs/dbraw/zinc/27/23/86/388272386.db2.gz WWTJHAHCUYMRGC-DTWKUNHWSA-N 0 3 241.322 3.012 20 0 BGADHN CSCCN1CC[C@H](C(F)(F)F)C[C@@H]1C ZINC000451424332 388271973 /nfs/dbraw/zinc/27/19/73/388271973.db2.gz WWTJHAHCUYMRGC-IUCAKERBSA-N 0 3 241.322 3.012 20 0 BGADHN CSCCN1CC[C@@H](C(F)(F)F)C[C@H]1C ZINC000451424334 388271949 /nfs/dbraw/zinc/27/19/49/388271949.db2.gz WWTJHAHCUYMRGC-RKDXNWHRSA-N 0 3 241.322 3.012 20 0 BGADHN CCC[C@@H](NCc1cc(C)no1)C(C)(C)C ZINC000451428181 388272502 /nfs/dbraw/zinc/27/25/02/388272502.db2.gz XSQYRTLLSNUZRZ-GFCCVEGCSA-N 0 3 224.348 3.287 20 0 BGADHN CCC[C@H](NCc1cc(C)no1)C(C)(C)C ZINC000451428183 388272295 /nfs/dbraw/zinc/27/22/95/388272295.db2.gz XSQYRTLLSNUZRZ-LBPRGKRZSA-N 0 3 224.348 3.287 20 0 BGADHN CCC[C@H](NCc1nnc(C)s1)C(C)(C)C ZINC000451430091 388271965 /nfs/dbraw/zinc/27/19/65/388271965.db2.gz CSMVWHSDNXXXAT-JTQLQIEISA-N 0 3 241.404 3.151 20 0 BGADHN CCC[C@@H](NCc1nnc(C)s1)C(C)(C)C ZINC000451430092 388272020 /nfs/dbraw/zinc/27/20/20/388272020.db2.gz CSMVWHSDNXXXAT-SNVBAGLBSA-N 0 3 241.404 3.151 20 0 BGADHN CCC[C@@H](NCc1cnoc1C)C(C)(C)C ZINC000451431203 388272482 /nfs/dbraw/zinc/27/24/82/388272482.db2.gz DYIKYKSMYMIACP-GFCCVEGCSA-N 0 3 224.348 3.287 20 0 BGADHN CCC[C@H](NCc1cnoc1C)C(C)(C)C ZINC000451431205 388272281 /nfs/dbraw/zinc/27/22/81/388272281.db2.gz DYIKYKSMYMIACP-LBPRGKRZSA-N 0 3 224.348 3.287 20 0 BGADHN CCC[C@@H](NCc1ncc(C)o1)C(C)(C)C ZINC000451436547 200746465 /nfs/dbraw/zinc/74/64/65/200746465.db2.gz KLFNRADQQTYYQZ-LLVKDONJSA-N 0 3 224.348 3.287 20 0 BGADHN CCC[C@H](NCc1ncc(C)o1)C(C)(C)C ZINC000451436548 385830738 /nfs/dbraw/zinc/83/07/38/385830738.db2.gz KLFNRADQQTYYQZ-NSHDSACASA-N 0 3 224.348 3.287 20 0 BGADHN CCC[C@@H](NCc1cc(C)ncn1)C(C)(C)C ZINC000451438131 388272842 /nfs/dbraw/zinc/27/28/42/388272842.db2.gz MOQPHRIALJMGJQ-CYBMUJFWSA-N 0 3 235.375 3.089 20 0 BGADHN CCC[C@H](NCc1cc(C)ncn1)C(C)(C)C ZINC000451438132 388273305 /nfs/dbraw/zinc/27/33/05/388273305.db2.gz MOQPHRIALJMGJQ-ZDUSSCGKSA-N 0 3 235.375 3.089 20 0 BGADHN CCC[C@@H](NCc1nccc(C)n1)C(C)(C)C ZINC000451438481 388272949 /nfs/dbraw/zinc/27/29/49/388272949.db2.gz MXVJEKQVZCUIJS-GFCCVEGCSA-N 0 3 235.375 3.089 20 0 BGADHN CCC[C@H](NCc1nccc(C)n1)C(C)(C)C ZINC000451438482 388272812 /nfs/dbraw/zinc/27/28/12/388272812.db2.gz MXVJEKQVZCUIJS-LBPRGKRZSA-N 0 3 235.375 3.089 20 0 BGADHN CCC[C@@H](NCc1ncc(C)cn1)C(C)(C)C ZINC000451440405 388274125 /nfs/dbraw/zinc/27/41/25/388274125.db2.gz PRTOEFPXWUNRIM-GFCCVEGCSA-N 0 3 235.375 3.089 20 0 BGADHN CCC[C@H](NCc1ncc(C)cn1)C(C)(C)C ZINC000451440406 388273963 /nfs/dbraw/zinc/27/39/63/388273963.db2.gz PRTOEFPXWUNRIM-LBPRGKRZSA-N 0 3 235.375 3.089 20 0 BGADHN CCC[C@@H](NCc1cc(C)n(C)n1)C(C)(C)C ZINC000451442986 388273979 /nfs/dbraw/zinc/27/39/79/388273979.db2.gz XTTOTZPEHXSCHZ-CYBMUJFWSA-N 0 3 237.391 3.033 20 0 BGADHN CCC[C@H](NCc1cc(C)n(C)n1)C(C)(C)C ZINC000451442988 388274116 /nfs/dbraw/zinc/27/41/16/388274116.db2.gz XTTOTZPEHXSCHZ-ZDUSSCGKSA-N 0 3 237.391 3.033 20 0 BGADHN CC(C)n1ccnc1CN[C@@H]1CCC12CCCC2 ZINC000451453841 388275016 /nfs/dbraw/zinc/27/50/16/388275016.db2.gz HJQINJJFIVJEGX-CYBMUJFWSA-N 0 3 247.386 3.276 20 0 BGADHN CC(C)n1ccnc1CN[C@H]1CCC12CCCC2 ZINC000451453842 388274585 /nfs/dbraw/zinc/27/45/85/388274585.db2.gz HJQINJJFIVJEGX-ZDUSSCGKSA-N 0 3 247.386 3.276 20 0 BGADHN CCCCCN1CCOc2ccc(OC)cc2C1 ZINC000451640913 388286767 /nfs/dbraw/zinc/28/67/67/388286767.db2.gz FZHOKBXREYSIIR-UHFFFAOYSA-N 0 3 249.354 3.080 20 0 BGADHN CCC[C@@H](C)N1CCOc2ccc(OC)cc2C1 ZINC000451648192 351236064 /nfs/dbraw/zinc/23/60/64/351236064.db2.gz OPGWWWOHKLRNRC-GFCCVEGCSA-N 0 3 249.354 3.078 20 0 BGADHN CCC[C@H](C)N1CCOc2ccc(OC)cc2C1 ZINC000451648194 351235962 /nfs/dbraw/zinc/23/59/62/351235962.db2.gz OPGWWWOHKLRNRC-LBPRGKRZSA-N 0 3 249.354 3.078 20 0 BGADHN FCCCCCN1CCOCC12CCCCC2 ZINC000451809559 388298020 /nfs/dbraw/zinc/29/80/20/388298020.db2.gz AQQVGTSXSKLLIB-UHFFFAOYSA-N 0 3 243.366 3.161 20 0 BGADHN C1=C[C@H](N2CCOCC23CCCCC3)CCC1 ZINC000451818596 388298652 /nfs/dbraw/zinc/29/86/52/388298652.db2.gz YGGRLHHATUMBQZ-AWEZNQCLSA-N 0 3 235.371 3.130 20 0 BGADHN C1=C[C@@H](N2CCOCC23CCCCC3)CCC1 ZINC000451818598 388298459 /nfs/dbraw/zinc/29/84/59/388298459.db2.gz YGGRLHHATUMBQZ-CQSZACIVSA-N 0 3 235.371 3.130 20 0 BGADHN COCCCCN1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451836226 388299595 /nfs/dbraw/zinc/29/95/95/388299595.db2.gz KYYHDMLQHYEBPQ-AWEZNQCLSA-N 0 3 249.354 3.233 20 0 BGADHN COCCCCN1CC2(CCC2)[C@H]1c1ccco1 ZINC000451836227 388299927 /nfs/dbraw/zinc/29/99/27/388299927.db2.gz KYYHDMLQHYEBPQ-CQSZACIVSA-N 0 3 249.354 3.233 20 0 BGADHN CC[C@H](C)N1CCN(CCCC(C)(C)C)CC1 ZINC000451837391 388299709 /nfs/dbraw/zinc/29/97/09/388299709.db2.gz HRKVBROKAJNQFV-AWEZNQCLSA-N 0 3 240.435 3.229 20 0 BGADHN CC[C@@H](C)N1CCN(CCCC(C)(C)C)CC1 ZINC000451837394 388299765 /nfs/dbraw/zinc/29/97/65/388299765.db2.gz HRKVBROKAJNQFV-CQSZACIVSA-N 0 3 240.435 3.229 20 0 BGADHN COCC[C@H](C)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000451859377 488116060 /nfs/dbraw/zinc/11/60/60/488116060.db2.gz SWFBXLCISHHNDH-GXTWGEPZSA-N 0 3 249.354 3.232 20 0 BGADHN COCC[C@H](C)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451859378 488115933 /nfs/dbraw/zinc/11/59/33/488115933.db2.gz SWFBXLCISHHNDH-JSGCOSHPSA-N 0 3 249.354 3.232 20 0 BGADHN COCC[C@@H](C)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451859379 488116088 /nfs/dbraw/zinc/11/60/88/488116088.db2.gz SWFBXLCISHHNDH-OCCSQVGLSA-N 0 3 249.354 3.232 20 0 BGADHN COCC[C@@H](C)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000451859380 488116123 /nfs/dbraw/zinc/11/61/23/488116123.db2.gz SWFBXLCISHHNDH-TZMCWYRMSA-N 0 3 249.354 3.232 20 0 BGADHN CC[C@@H]1CC[C@H](C)N(Cc2ccc(OC)cn2)C1 ZINC000451952303 387686553 /nfs/dbraw/zinc/68/65/53/387686553.db2.gz GSDQBGKTUNKSCB-QWHCGFSZSA-N 0 3 248.370 3.101 20 0 BGADHN CC[C@@H]1CC[C@H](C)N(Cc2cnccc2OC)C1 ZINC000451953631 387687568 /nfs/dbraw/zinc/68/75/68/387687568.db2.gz KLNNUFRDHIZPJF-QWHCGFSZSA-N 0 3 248.370 3.101 20 0 BGADHN CC[C@@H]1CC[C@H](C)N(Cc2cncc(OC)c2)C1 ZINC000451957339 387685960 /nfs/dbraw/zinc/68/59/60/387685960.db2.gz TVRYQBXEUUJLLL-QWHCGFSZSA-N 0 3 248.370 3.101 20 0 BGADHN CC[C@@H]1CC[C@H](C)N(Cc2cc(OC)ccn2)C1 ZINC000451957400 387685770 /nfs/dbraw/zinc/68/57/70/387685770.db2.gz UFZUFBVJHOAHHO-QWHCGFSZSA-N 0 3 248.370 3.101 20 0 BGADHN CC[C@@H]1CC[C@H](C)N(Cc2ccc(F)cn2)C1 ZINC000451958623 387687119 /nfs/dbraw/zinc/68/71/19/387687119.db2.gz WOOHNDZJTSYJKT-NWDGAFQWSA-N 0 3 236.334 3.231 20 0 BGADHN Cc1nc(CN2[C@H](C)CCC2(C)C)cs1 ZINC000452001782 387694043 /nfs/dbraw/zinc/69/40/43/387694043.db2.gz DDIOTDXZZUTQTF-SECBINFHSA-N 0 3 224.373 3.214 20 0 BGADHN Cc1nc(CN2[C@@H](C)CCC2(C)C)cs1 ZINC000452001788 387694752 /nfs/dbraw/zinc/69/47/52/387694752.db2.gz DDIOTDXZZUTQTF-VIFPVBQESA-N 0 3 224.373 3.214 20 0 BGADHN Cc1csc(CN2[C@@H](C)CCC2(C)C)n1 ZINC000452002612 387693944 /nfs/dbraw/zinc/69/39/44/387693944.db2.gz FHISBJUYMIWALC-JTQLQIEISA-N 0 3 224.373 3.214 20 0 BGADHN Cc1csc(CN2[C@H](C)CCC2(C)C)n1 ZINC000452002613 387694905 /nfs/dbraw/zinc/69/49/05/387694905.db2.gz FHISBJUYMIWALC-SNVBAGLBSA-N 0 3 224.373 3.214 20 0 BGADHN CCc1nc(CN2[C@@H](C)CCC2(C)C)cs1 ZINC000452009860 386094334 /nfs/dbraw/zinc/09/43/34/386094334.db2.gz PYLIIIIQZAYUIH-JTQLQIEISA-N 0 3 238.400 3.468 20 0 BGADHN CCc1nc(CN2[C@H](C)CCC2(C)C)cs1 ZINC000452009863 386094885 /nfs/dbraw/zinc/09/48/85/386094885.db2.gz PYLIIIIQZAYUIH-SNVBAGLBSA-N 0 3 238.400 3.468 20 0 BGADHN C[C@@H]1CCC(C)(C)N1Cc1cn2ccccc2n1 ZINC000452009883 387699452 /nfs/dbraw/zinc/69/94/52/387699452.db2.gz PZJXHCWULMRNOT-GFCCVEGCSA-N 0 3 243.354 3.097 20 0 BGADHN C[C@H]1CCC(C)(C)N1Cc1cn2ccccc2n1 ZINC000452009885 387698525 /nfs/dbraw/zinc/69/85/25/387698525.db2.gz PZJXHCWULMRNOT-LBPRGKRZSA-N 0 3 243.354 3.097 20 0 BGADHN CC(C)n1ccc(CN2[C@H](C)CCC2(C)C)n1 ZINC000452010572 387698631 /nfs/dbraw/zinc/69/86/31/387698631.db2.gz QRBKIJDKWUBZRX-GFCCVEGCSA-N 0 3 235.375 3.227 20 0 BGADHN CC(C)n1ccc(CN2[C@@H](C)CCC2(C)C)n1 ZINC000452010575 387699553 /nfs/dbraw/zinc/69/95/53/387699553.db2.gz QRBKIJDKWUBZRX-LBPRGKRZSA-N 0 3 235.375 3.227 20 0 BGADHN C[C@H]1CCC(C)(C)N1Cc1ccncc1Cl ZINC000452014898 387701789 /nfs/dbraw/zinc/70/17/89/387701789.db2.gz USGVPTUIEZJXOL-JTQLQIEISA-N 0 3 238.762 3.498 20 0 BGADHN C[C@@H]1CCC(C)(C)N1Cc1ccncc1Cl ZINC000452014899 387700974 /nfs/dbraw/zinc/70/09/74/387700974.db2.gz USGVPTUIEZJXOL-SNVBAGLBSA-N 0 3 238.762 3.498 20 0 BGADHN CCO[C@@H]1CCCC[C@H]1N[C@H](C)c1cccnc1 ZINC000452033088 387704308 /nfs/dbraw/zinc/70/43/08/387704308.db2.gz FQEJQQSSYJLBTP-BPLDGKMQSA-N 0 3 248.370 3.080 20 0 BGADHN CCO[C@@H]1CCCC[C@H]1N[C@@H](C)c1cccnc1 ZINC000452033089 387706058 /nfs/dbraw/zinc/70/60/58/387706058.db2.gz FQEJQQSSYJLBTP-NWANDNLSSA-N 0 3 248.370 3.080 20 0 BGADHN CCO[C@@H]1CCCC[C@H]1N[C@H](C)c1ccncc1 ZINC000452036902 386161446 /nfs/dbraw/zinc/16/14/46/386161446.db2.gz SOKFZEIBTHMSPL-BPLDGKMQSA-N 0 3 248.370 3.080 20 0 BGADHN CCO[C@@H]1CCCC[C@H]1N[C@@H](C)c1ccncc1 ZINC000452036906 200758292 /nfs/dbraw/zinc/75/82/92/200758292.db2.gz SOKFZEIBTHMSPL-NWANDNLSSA-N 0 3 248.370 3.080 20 0 BGADHN CCC(=O)CCCN(C)Cc1ccc(C)c(C)c1 ZINC000452039864 387708194 /nfs/dbraw/zinc/70/81/94/387708194.db2.gz DCTKYZNJUIJXSM-UHFFFAOYSA-N 0 3 247.382 3.495 20 0 BGADHN Cc1ccc(CN(C)CCOC2CCC2)cc1C ZINC000452048503 386182927 /nfs/dbraw/zinc/18/29/27/386182927.db2.gz QHPYOXANMGYGAM-UHFFFAOYSA-N 0 3 247.382 3.304 20 0 BGADHN C[C@H](N[C@@H](C)[C@H]1CCC[C@@H](C)C1)c1cnccn1 ZINC000452059443 387718380 /nfs/dbraw/zinc/71/83/80/387718380.db2.gz KLNDNNMNYOBBQD-RFGFWPKPSA-N 0 3 247.386 3.342 20 0 BGADHN C[C@@H](N[C@@H](C)[C@H]1CCC[C@@H](C)C1)c1cnccn1 ZINC000452059444 387720057 /nfs/dbraw/zinc/72/00/57/387720057.db2.gz KLNDNNMNYOBBQD-RQJABVFESA-N 0 3 247.386 3.342 20 0 BGADHN C[C@@H](N[C@@H](C)[C@@H]1CCC[C@@H](C)C1)c1cnccn1 ZINC000452059445 387720423 /nfs/dbraw/zinc/72/04/23/387720423.db2.gz KLNDNNMNYOBBQD-XJFOESAGSA-N 0 3 247.386 3.342 20 0 BGADHN C[C@H](N[C@@H](C)[C@@H]1CCC[C@@H](C)C1)c1cnccn1 ZINC000452059446 387719603 /nfs/dbraw/zinc/71/96/03/387719603.db2.gz KLNDNNMNYOBBQD-ZOBORPQBSA-N 0 3 247.386 3.342 20 0 BGADHN Cc1cc(CN[C@@H](C)[C@H]2CCC[C@H](C)C2)no1 ZINC000452060312 202519005 /nfs/dbraw/zinc/51/90/05/202519005.db2.gz DFQKXRVCGAFKPP-DRZSPHRISA-N 0 3 236.359 3.287 20 0 BGADHN Cc1cc(CN[C@@H](C)[C@@H]2CCC[C@@H](C)C2)no1 ZINC000452060313 387718916 /nfs/dbraw/zinc/71/89/16/387718916.db2.gz DFQKXRVCGAFKPP-KGYLQXTDSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1cc(CN[C@@H](C)[C@@H]2CCC[C@H](C)C2)no1 ZINC000452060314 387719450 /nfs/dbraw/zinc/71/94/50/387719450.db2.gz DFQKXRVCGAFKPP-WCFLWFBJSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1cc(CN[C@@H](C)[C@H]2CCC[C@@H](C)C2)no1 ZINC000452060315 387719345 /nfs/dbraw/zinc/71/93/45/387719345.db2.gz DFQKXRVCGAFKPP-WXHSDQCUSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1cc(CN[C@@H](C)[C@@H]2CCC[C@H](C)C2)ncn1 ZINC000452060822 387719061 /nfs/dbraw/zinc/71/90/61/387719061.db2.gz NNDQUFDOCQSEET-FPMFFAJLSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1cc(CN[C@@H](C)[C@@H]2CCC[C@@H](C)C2)ncn1 ZINC000452060823 387719015 /nfs/dbraw/zinc/71/90/15/387719015.db2.gz NNDQUFDOCQSEET-KWCYVHTRSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1cc(CN[C@@H](C)[C@H]2CCC[C@H](C)C2)ncn1 ZINC000452060824 387718451 /nfs/dbraw/zinc/71/84/51/387718451.db2.gz NNDQUFDOCQSEET-UBHSHLNASA-N 0 3 247.386 3.089 20 0 BGADHN Cc1cc(CN[C@@H](C)[C@H]2CCC[C@@H](C)C2)ncn1 ZINC000452060825 387719134 /nfs/dbraw/zinc/71/91/34/387719134.db2.gz NNDQUFDOCQSEET-XBFCOCLRSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1cnc(CN[C@@H](C)[C@@H]2CCC[C@H](C)C2)nc1 ZINC000452060868 387719502 /nfs/dbraw/zinc/71/95/02/387719502.db2.gz NUIMYPUBQAJEMP-FPMFFAJLSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1cnc(CN[C@@H](C)[C@@H]2CCC[C@@H](C)C2)nc1 ZINC000452060869 202518772 /nfs/dbraw/zinc/51/87/72/202518772.db2.gz NUIMYPUBQAJEMP-KWCYVHTRSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1cnc(CN[C@@H](C)[C@H]2CCC[C@H](C)C2)nc1 ZINC000452060870 387719631 /nfs/dbraw/zinc/71/96/31/387719631.db2.gz NUIMYPUBQAJEMP-UBHSHLNASA-N 0 3 247.386 3.089 20 0 BGADHN Cc1cnc(CN[C@@H](C)[C@H]2CCC[C@@H](C)C2)nc1 ZINC000452060871 387719563 /nfs/dbraw/zinc/71/95/63/387719563.db2.gz NUIMYPUBQAJEMP-XBFCOCLRSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1ccnc(CN[C@@H](C)[C@@H]2CCC[C@H](C)C2)n1 ZINC000452062903 387719991 /nfs/dbraw/zinc/71/99/91/387719991.db2.gz UWEFTRIETRCJQK-FPMFFAJLSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1ccnc(CN[C@@H](C)[C@@H]2CCC[C@@H](C)C2)n1 ZINC000452062904 387720410 /nfs/dbraw/zinc/72/04/10/387720410.db2.gz UWEFTRIETRCJQK-KWCYVHTRSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1ccnc(CN[C@@H](C)[C@H]2CCC[C@H](C)C2)n1 ZINC000452062905 387718836 /nfs/dbraw/zinc/71/88/36/387718836.db2.gz UWEFTRIETRCJQK-UBHSHLNASA-N 0 3 247.386 3.089 20 0 BGADHN Cc1ccnc(CN[C@@H](C)[C@H]2CCC[C@@H](C)C2)n1 ZINC000452062906 387719905 /nfs/dbraw/zinc/71/99/05/387719905.db2.gz UWEFTRIETRCJQK-XBFCOCLRSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1oncc1CN[C@@H](C)[C@@H]1CCC[C@H](C)C1 ZINC000452063928 387718298 /nfs/dbraw/zinc/71/82/98/387718298.db2.gz YJBLKIHYQBXAEE-GMXVVIOVSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1oncc1CN[C@@H](C)[C@H]1CCC[C@H](C)C1 ZINC000452063929 387718472 /nfs/dbraw/zinc/71/84/72/387718472.db2.gz YJBLKIHYQBXAEE-GVXVVHGQSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1oncc1CN[C@@H](C)[C@H]1CCC[C@@H](C)C1 ZINC000452063930 387719692 /nfs/dbraw/zinc/71/96/92/387719692.db2.gz YJBLKIHYQBXAEE-MDZLAQPJSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1oncc1CN[C@@H](C)[C@@H]1CCC[C@@H](C)C1 ZINC000452063931 387718748 /nfs/dbraw/zinc/71/87/48/387718748.db2.gz YJBLKIHYQBXAEE-NTZNESFSSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1cc(CN[C@@H](C)[C@@H]2CCC[C@H](C)C2)nn1C ZINC000452065414 387721906 /nfs/dbraw/zinc/72/19/06/387721906.db2.gz HVZVRXBNBPDMBS-FPMFFAJLSA-N 0 3 249.402 3.033 20 0 BGADHN Cc1cc(CN[C@@H](C)[C@@H]2CCC[C@@H](C)C2)nn1C ZINC000452065415 387723302 /nfs/dbraw/zinc/72/33/02/387723302.db2.gz HVZVRXBNBPDMBS-KWCYVHTRSA-N 0 3 249.402 3.033 20 0 BGADHN Cc1cc(CN[C@@H](C)[C@H]2CCC[C@H](C)C2)nn1C ZINC000452065416 387723621 /nfs/dbraw/zinc/72/36/21/387723621.db2.gz HVZVRXBNBPDMBS-UBHSHLNASA-N 0 3 249.402 3.033 20 0 BGADHN Cc1cc(CN[C@@H](C)[C@H]2CCC[C@@H](C)C2)nn1C ZINC000452065417 387721939 /nfs/dbraw/zinc/72/19/39/387721939.db2.gz HVZVRXBNBPDMBS-XBFCOCLRSA-N 0 3 249.402 3.033 20 0 BGADHN Cc1cc(CN[C@@H](C)[C@H]2CCC[C@H](C)C2)on1 ZINC000452068528 387721175 /nfs/dbraw/zinc/72/11/75/387721175.db2.gz NDQCBYAPRCKLMR-DRZSPHRISA-N 0 3 236.359 3.287 20 0 BGADHN Cc1cc(CN[C@@H](C)[C@@H]2CCC[C@@H](C)C2)on1 ZINC000452068531 387722149 /nfs/dbraw/zinc/72/21/49/387722149.db2.gz NDQCBYAPRCKLMR-KGYLQXTDSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1cc(CN[C@@H](C)[C@@H]2CCC[C@H](C)C2)on1 ZINC000452068535 387722180 /nfs/dbraw/zinc/72/21/80/387722180.db2.gz NDQCBYAPRCKLMR-WCFLWFBJSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1cc(CN[C@@H](C)[C@H]2CCC[C@@H](C)C2)on1 ZINC000452068538 387723700 /nfs/dbraw/zinc/72/37/00/387723700.db2.gz NDQCBYAPRCKLMR-WXHSDQCUSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1cc(CN2CC[C@H](CC(C)(C)C)C2)ncn1 ZINC000452070119 387726205 /nfs/dbraw/zinc/72/62/05/387726205.db2.gz FYNXKYICKDUYRY-CYBMUJFWSA-N 0 3 247.386 3.043 20 0 BGADHN Cc1cc(CN2CC[C@@H](CC(C)(C)C)C2)ncn1 ZINC000452070121 387726351 /nfs/dbraw/zinc/72/63/51/387726351.db2.gz FYNXKYICKDUYRY-ZDUSSCGKSA-N 0 3 247.386 3.043 20 0 BGADHN Cc1oncc1CN1CC[C@H](CC(C)(C)C)C1 ZINC000452079348 387728913 /nfs/dbraw/zinc/72/89/13/387728913.db2.gz NIQGFSAVVXWCRX-GFCCVEGCSA-N 0 3 236.359 3.241 20 0 BGADHN Cc1oncc1CN1CC[C@@H](CC(C)(C)C)C1 ZINC000452079350 387728856 /nfs/dbraw/zinc/72/88/56/387728856.db2.gz NIQGFSAVVXWCRX-LBPRGKRZSA-N 0 3 236.359 3.241 20 0 BGADHN C[C@H](c1cnccn1)N1CC[C@H](CC(C)(C)C)C1 ZINC000452087981 387731537 /nfs/dbraw/zinc/73/15/37/387731537.db2.gz ZCKRWUYMMDENOX-CHWSQXEVSA-N 0 3 247.386 3.296 20 0 BGADHN C[C@H](c1cnccn1)N1CC[C@@H](CC(C)(C)C)C1 ZINC000452087982 387731233 /nfs/dbraw/zinc/73/12/33/387731233.db2.gz ZCKRWUYMMDENOX-OLZOCXBDSA-N 0 3 247.386 3.296 20 0 BGADHN C[C@@H](c1cnccn1)N1CC[C@H](CC(C)(C)C)C1 ZINC000452087983 387731744 /nfs/dbraw/zinc/73/17/44/387731744.db2.gz ZCKRWUYMMDENOX-QWHCGFSZSA-N 0 3 247.386 3.296 20 0 BGADHN C[C@@H](c1cnccn1)N1CC[C@@H](CC(C)(C)C)C1 ZINC000452087984 386290045 /nfs/dbraw/zinc/29/00/45/386290045.db2.gz ZCKRWUYMMDENOX-STQMWFEESA-N 0 3 247.386 3.296 20 0 BGADHN CC[C@@H](F)CN[C@H](C)c1cccc(C)c1 ZINC000452098082 387736043 /nfs/dbraw/zinc/73/60/43/387736043.db2.gz YYQHZPRGHLKDGS-DGCLKSJQSA-N 0 3 209.308 3.394 20 0 BGADHN CC[C@H](F)CN[C@H](C)c1cccc(C)c1 ZINC000452098083 387734788 /nfs/dbraw/zinc/73/47/88/387734788.db2.gz YYQHZPRGHLKDGS-YPMHNXCESA-N 0 3 209.308 3.394 20 0 BGADHN Cc1cc(CN(C(C)C)C2CC(C)(C)C2)nn1C ZINC000452100558 387736599 /nfs/dbraw/zinc/73/65/99/387736599.db2.gz DVRMRVLKVJDHTE-UHFFFAOYSA-N 0 3 249.402 3.128 20 0 BGADHN Cc1oncc1CN(C(C)C)C1CC(C)(C)C1 ZINC000452105847 387737298 /nfs/dbraw/zinc/73/72/98/387737298.db2.gz OWJMECIMXWULNA-UHFFFAOYSA-N 0 3 236.359 3.382 20 0 BGADHN Cc1cc(CN(C(C)C)C2CC(C)(C)C2)ncn1 ZINC000452106370 386338732 /nfs/dbraw/zinc/33/87/32/386338732.db2.gz NSHUARXOTRWHII-UHFFFAOYSA-N 0 3 247.386 3.184 20 0 BGADHN Cc1cc(CN(C(C)C)C2CC(C)(C)C2)on1 ZINC000452108804 387737858 /nfs/dbraw/zinc/73/78/58/387737858.db2.gz WHOGKKODPCFZHI-UHFFFAOYSA-N 0 3 236.359 3.382 20 0 BGADHN C[C@H](CCCc1cccnc1)NCc1ccco1 ZINC000453055532 387975380 /nfs/dbraw/zinc/97/53/80/387975380.db2.gz JQHZDJXVULRJOJ-CYBMUJFWSA-N 0 3 244.338 3.176 20 0 BGADHN C[C@@H](CCCc1cccnc1)NCc1ccco1 ZINC000453055533 387974341 /nfs/dbraw/zinc/97/43/41/387974341.db2.gz JQHZDJXVULRJOJ-ZDUSSCGKSA-N 0 3 244.338 3.176 20 0 BGADHN CCCN[C@H](C)c1ncc(-c2ccccc2)n1C ZINC000453057203 387974393 /nfs/dbraw/zinc/97/43/93/387974393.db2.gz MAWXPNFLPKUECQ-GFCCVEGCSA-N 0 3 243.354 3.148 20 0 BGADHN CCCN[C@@H](C)c1ncc(-c2ccccc2)n1C ZINC000453057204 387975649 /nfs/dbraw/zinc/97/56/49/387975649.db2.gz MAWXPNFLPKUECQ-LBPRGKRZSA-N 0 3 243.354 3.148 20 0 BGADHN C[C@H](CCCc1cccnc1)NCc1ccoc1 ZINC000453063700 387977489 /nfs/dbraw/zinc/97/74/89/387977489.db2.gz HIKKFNQJYWVKOC-CYBMUJFWSA-N 0 3 244.338 3.176 20 0 BGADHN C[C@@H](CCCc1cccnc1)NCc1ccoc1 ZINC000453063701 387977410 /nfs/dbraw/zinc/97/74/10/387977410.db2.gz HIKKFNQJYWVKOC-ZDUSSCGKSA-N 0 3 244.338 3.176 20 0 BGADHN CC[C@H](C)N[C@H](c1ncc[nH]1)C1CCCCC1 ZINC000453067358 387978774 /nfs/dbraw/zinc/97/87/74/387978774.db2.gz ZFUDYNXNSOIQKD-AAEUAGOBSA-N 0 3 235.375 3.419 20 0 BGADHN CC[C@@H](C)N[C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000453067361 387977943 /nfs/dbraw/zinc/97/79/43/387977943.db2.gz ZFUDYNXNSOIQKD-DGCLKSJQSA-N 0 3 235.375 3.419 20 0 BGADHN CC[C@H](C)N[C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000453067362 387978630 /nfs/dbraw/zinc/97/86/30/387978630.db2.gz ZFUDYNXNSOIQKD-WCQYABFASA-N 0 3 235.375 3.419 20 0 BGADHN CC[C@@H](C)N[C@H](c1ncc[nH]1)C1CCCCC1 ZINC000453067365 387976961 /nfs/dbraw/zinc/97/69/61/387976961.db2.gz ZFUDYNXNSOIQKD-YPMHNXCESA-N 0 3 235.375 3.419 20 0 BGADHN c1csc(CN[C@@H](C2CC2)C2CCCC2)n1 ZINC000453072970 387977987 /nfs/dbraw/zinc/97/79/87/387977987.db2.gz SCCRPHYKYLGKTO-CYBMUJFWSA-N 0 3 236.384 3.202 20 0 BGADHN c1csc(CN[C@H](C2CC2)C2CCCC2)n1 ZINC000453073012 387978590 /nfs/dbraw/zinc/97/85/90/387978590.db2.gz SCCRPHYKYLGKTO-ZDUSSCGKSA-N 0 3 236.384 3.202 20 0 BGADHN CCn1ccnc1[C@H](C)NC1[C@@H](C)CCC[C@@H]1C ZINC000453073935 387977929 /nfs/dbraw/zinc/97/79/29/387977929.db2.gz JJOHOWTWZSIELX-AVGNSLFASA-N 0 3 249.402 3.378 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@H]1[C@H](C)CCC[C@@H]1C ZINC000453073937 387978830 /nfs/dbraw/zinc/97/88/30/387978830.db2.gz JJOHOWTWZSIELX-RFQIPJPRSA-N 0 3 249.402 3.378 20 0 BGADHN CCn1ccnc1[C@@H](C)N[C@H]1[C@H](C)CCC[C@@H]1C ZINC000453073941 387979084 /nfs/dbraw/zinc/97/90/84/387979084.db2.gz JJOHOWTWZSIELX-RQJABVFESA-N 0 3 249.402 3.378 20 0 BGADHN CCn1ccnc1[C@H](C)NC1[C@H](C)CCC[C@H]1C ZINC000453073943 387978423 /nfs/dbraw/zinc/97/84/23/387978423.db2.gz JJOHOWTWZSIELX-UPJWGTAASA-N 0 3 249.402 3.378 20 0 BGADHN C[C@@H](NCCCC1CCCCC1)c1ccncn1 ZINC000453083075 386137767 /nfs/dbraw/zinc/13/77/67/386137767.db2.gz MUPUTBHYWBBNGC-CYBMUJFWSA-N 0 3 247.386 3.488 20 0 BGADHN C[C@H](NCCCC1CCCCC1)c1ccncn1 ZINC000453083079 386138500 /nfs/dbraw/zinc/13/85/00/386138500.db2.gz MUPUTBHYWBBNGC-ZDUSSCGKSA-N 0 3 247.386 3.488 20 0 BGADHN CC[C@H](N[C@H]1C[C@H](C)n2ccnc21)C(C)(C)C ZINC000453088503 387981420 /nfs/dbraw/zinc/98/14/20/387981420.db2.gz APNMUNDSKDBNPP-SRVKXCTJSA-N 0 3 235.375 3.303 20 0 BGADHN CC[C@H](N[C@@H]1C[C@H](C)n2ccnc21)C(C)(C)C ZINC000453088504 387981391 /nfs/dbraw/zinc/98/13/91/387981391.db2.gz APNMUNDSKDBNPP-TUAOUCFPSA-N 0 3 235.375 3.303 20 0 BGADHN CC[C@H](N[C@@H]1C[C@@H](C)n2ccnc21)C(C)(C)C ZINC000453088506 387982929 /nfs/dbraw/zinc/98/29/29/387982929.db2.gz APNMUNDSKDBNPP-UTUOFQBUSA-N 0 3 235.375 3.303 20 0 BGADHN CC[C@H](N[C@H]1C[C@@H](C)n2ccnc21)C(C)(C)C ZINC000453088508 387982643 /nfs/dbraw/zinc/98/26/43/387982643.db2.gz APNMUNDSKDBNPP-WOPDTQHZSA-N 0 3 235.375 3.303 20 0 BGADHN CCn1ccnc1[C@@H](C)NCCC1CCCC1 ZINC000453089030 200787994 /nfs/dbraw/zinc/78/79/94/200787994.db2.gz ZXLGNYVIEHOCPH-GFCCVEGCSA-N 0 3 235.375 3.134 20 0 BGADHN CCn1ccnc1[C@H](C)NCCC1CCCC1 ZINC000453089032 386149537 /nfs/dbraw/zinc/14/95/37/386149537.db2.gz ZXLGNYVIEHOCPH-LBPRGKRZSA-N 0 3 235.375 3.134 20 0 BGADHN CC[C@H](NCCOC1CCCC1)c1ccncc1 ZINC000453089742 387982624 /nfs/dbraw/zinc/98/26/24/387982624.db2.gz RZGCCJBKZRFUHJ-HNNXBMFYSA-N 0 3 248.370 3.082 20 0 BGADHN CC[C@@H](NCCOC1CCCC1)c1ccncc1 ZINC000453089744 387982555 /nfs/dbraw/zinc/98/25/55/387982555.db2.gz RZGCCJBKZRFUHJ-OAHLLOKOSA-N 0 3 248.370 3.082 20 0 BGADHN C[C@@H]1C[C@H](N[C@H]2[C@H](C)CCC[C@@H]2C)c2nccn21 ZINC000453091752 386143905 /nfs/dbraw/zinc/14/39/05/386143905.db2.gz ZTCFIGCHWOPBIM-BJJPWKGXSA-N 0 3 247.386 3.303 20 0 BGADHN C[C@@H]1C[C@@H](N[C@H]2[C@H](C)CCC[C@@H]2C)c2nccn21 ZINC000453091755 386141836 /nfs/dbraw/zinc/14/18/36/386141836.db2.gz ZTCFIGCHWOPBIM-ITGHMWBKSA-N 0 3 247.386 3.303 20 0 BGADHN C[C@H]1C[C@@H](N[C@H]2[C@H](C)CCC[C@@H]2C)c2nccn21 ZINC000453091757 386143098 /nfs/dbraw/zinc/14/30/98/386143098.db2.gz ZTCFIGCHWOPBIM-MEBFFEOJSA-N 0 3 247.386 3.303 20 0 BGADHN C[C@H]1C[C@H](N[C@H]2[C@H](C)CCC[C@@H]2C)c2nccn21 ZINC000453091760 386142747 /nfs/dbraw/zinc/14/27/47/386142747.db2.gz ZTCFIGCHWOPBIM-ZUWCUPBKSA-N 0 3 247.386 3.303 20 0 BGADHN c1nc(CN[C@@H](C2CC2)C2CCCC2)cs1 ZINC000453093867 387981929 /nfs/dbraw/zinc/98/19/29/387981929.db2.gz UMODCEAIUPZBBN-CYBMUJFWSA-N 0 3 236.384 3.202 20 0 BGADHN c1nc(CN[C@H](C2CC2)C2CCCC2)cs1 ZINC000453093869 202699584 /nfs/dbraw/zinc/69/95/84/202699584.db2.gz UMODCEAIUPZBBN-ZDUSSCGKSA-N 0 3 236.384 3.202 20 0 BGADHN CCCC[C@@H]1CCC[C@@H]1N[C@@H](C)c1ccncn1 ZINC000453094555 387982132 /nfs/dbraw/zinc/98/21/32/387982132.db2.gz QBDJTQFJAAPXTE-GUTXKFCHSA-N 0 3 247.386 3.486 20 0 BGADHN CCCC[C@@H]1CCC[C@H]1N[C@@H](C)c1ccncn1 ZINC000453094556 202701339 /nfs/dbraw/zinc/70/13/39/202701339.db2.gz QBDJTQFJAAPXTE-GZBFAFLISA-N 0 3 247.386 3.486 20 0 BGADHN CCCC[C@@H]1CCC[C@@H]1N[C@H](C)c1ccncn1 ZINC000453094557 387982054 /nfs/dbraw/zinc/98/20/54/387982054.db2.gz QBDJTQFJAAPXTE-NFAWXSAZSA-N 0 3 247.386 3.486 20 0 BGADHN CCCC[C@@H]1CCC[C@H]1N[C@H](C)c1ccncn1 ZINC000453094558 387981436 /nfs/dbraw/zinc/98/14/36/387981436.db2.gz QBDJTQFJAAPXTE-UMVBOHGHSA-N 0 3 247.386 3.486 20 0 BGADHN CC[C@H](N[C@H](C)c1nccn1CC)C(C)(C)C ZINC000453101547 387984245 /nfs/dbraw/zinc/98/42/45/387984245.db2.gz OGBIZOVCGLJOFB-NEPJUHHUSA-N 0 3 237.391 3.378 20 0 BGADHN CC[C@@H](N[C@@H](C)c1nccn1CC)C(C)(C)C ZINC000453101548 387984042 /nfs/dbraw/zinc/98/40/42/387984042.db2.gz OGBIZOVCGLJOFB-NWDGAFQWSA-N 0 3 237.391 3.378 20 0 BGADHN CC[C@H](N[C@@H](C)c1nccn1CC)C(C)(C)C ZINC000453101549 387984786 /nfs/dbraw/zinc/98/47/86/387984786.db2.gz OGBIZOVCGLJOFB-RYUDHWBXSA-N 0 3 237.391 3.378 20 0 BGADHN CC[C@@H](N[C@H](C)c1nccn1CC)C(C)(C)C ZINC000453101550 387983596 /nfs/dbraw/zinc/98/35/96/387983596.db2.gz OGBIZOVCGLJOFB-VXGBXAGGSA-N 0 3 237.391 3.378 20 0 BGADHN CC(C)(C)CCCCN[C@@H]1CCn2ccnc21 ZINC000453107629 387985261 /nfs/dbraw/zinc/98/52/61/387985261.db2.gz LTXZJEHVPLOTKS-GFCCVEGCSA-N 0 3 235.375 3.134 20 0 BGADHN CC(C)(C)CCCCN[C@H]1CCn2ccnc21 ZINC000453107630 387986320 /nfs/dbraw/zinc/98/63/20/387986320.db2.gz LTXZJEHVPLOTKS-LBPRGKRZSA-N 0 3 235.375 3.134 20 0 BGADHN C[C@@H](NCCCCC(C)(C)C)c1ccncn1 ZINC000453107631 387985944 /nfs/dbraw/zinc/98/59/44/387985944.db2.gz LUOLYGHDACBJFW-GFCCVEGCSA-N 0 3 235.375 3.344 20 0 BGADHN C[C@H](NCCCCC(C)(C)C)c1ccncn1 ZINC000453107632 387985808 /nfs/dbraw/zinc/98/58/08/387985808.db2.gz LUOLYGHDACBJFW-LBPRGKRZSA-N 0 3 235.375 3.344 20 0 BGADHN c1cn2c(n1)[C@@H](NCCCCC1CCCC1)CC2 ZINC000453110720 387985505 /nfs/dbraw/zinc/98/55/05/387985505.db2.gz ASUUXURHNGRPAX-AWEZNQCLSA-N 0 3 247.386 3.278 20 0 BGADHN c1cn2c(n1)[C@H](NCCCCC1CCCC1)CC2 ZINC000453110721 387986264 /nfs/dbraw/zinc/98/62/64/387986264.db2.gz ASUUXURHNGRPAX-CQSZACIVSA-N 0 3 247.386 3.278 20 0 BGADHN CC(C)[C@@H]1CCC[C@@H](N[C@@H](C)c2ccncn2)C1 ZINC000453113671 387987880 /nfs/dbraw/zinc/98/78/80/387987880.db2.gz VGWFHAZYMPBJQR-BFHYXJOUSA-N 0 3 247.386 3.342 20 0 BGADHN CC(C)[C@H]1CCC[C@H](N[C@@H](C)c2ccncn2)C1 ZINC000453113672 202702799 /nfs/dbraw/zinc/70/27/99/202702799.db2.gz VGWFHAZYMPBJQR-IHRRRGAJSA-N 0 3 247.386 3.342 20 0 BGADHN CC(C)[C@H]1CCC[C@@H](N[C@@H](C)c2ccncn2)C1 ZINC000453113673 202702633 /nfs/dbraw/zinc/70/26/33/202702633.db2.gz VGWFHAZYMPBJQR-MELADBBJSA-N 0 3 247.386 3.342 20 0 BGADHN CC(C)[C@@H]1CCC[C@H](N[C@@H](C)c2ccncn2)C1 ZINC000453113674 387988098 /nfs/dbraw/zinc/98/80/98/387988098.db2.gz VGWFHAZYMPBJQR-MJBXVCDLSA-N 0 3 247.386 3.342 20 0 BGADHN Cc1cc(CN[C@H](C2CC2)C2CCCC2)on1 ZINC000453117717 202703094 /nfs/dbraw/zinc/70/30/94/202703094.db2.gz ZNRFUFWQOHCBSC-AWEZNQCLSA-N 0 3 234.343 3.041 20 0 BGADHN Cc1cc(CN[C@@H](C2CC2)C2CCCC2)on1 ZINC000453117791 387989614 /nfs/dbraw/zinc/98/96/14/387989614.db2.gz ZNRFUFWQOHCBSC-CQSZACIVSA-N 0 3 234.343 3.041 20 0 BGADHN CCn1ccnc1[C@@H](C)NCC1(CC)CCC1 ZINC000453120679 387989489 /nfs/dbraw/zinc/98/94/89/387989489.db2.gz DKUYWQIOWGFRFC-GFCCVEGCSA-N 0 3 235.375 3.134 20 0 BGADHN CCn1ccnc1[C@H](C)NCC1(CC)CCC1 ZINC000453120681 387989562 /nfs/dbraw/zinc/98/95/62/387989562.db2.gz DKUYWQIOWGFRFC-LBPRGKRZSA-N 0 3 235.375 3.134 20 0 BGADHN C[C@@H]1CCCC[C@H]1CCN[C@@H]1CCn2ccnc21 ZINC000453120809 387988775 /nfs/dbraw/zinc/98/87/75/387988775.db2.gz LMEUYAILKKKUJI-HZSPNIEDSA-N 0 3 247.386 3.134 20 0 BGADHN C[C@@H]1CCCC[C@@H]1CCN[C@H]1CCn2ccnc21 ZINC000453120811 387989918 /nfs/dbraw/zinc/98/99/18/387989918.db2.gz LMEUYAILKKKUJI-MCIONIFRSA-N 0 3 247.386 3.134 20 0 BGADHN C[C@@H]1CCCC[C@@H]1CCN[C@@H]1CCn2ccnc21 ZINC000453120813 387988936 /nfs/dbraw/zinc/98/89/36/387988936.db2.gz LMEUYAILKKKUJI-MGPQQGTHSA-N 0 3 247.386 3.134 20 0 BGADHN C[C@@H]1CCCC[C@H]1CCN[C@H]1CCn2ccnc21 ZINC000453120815 387990058 /nfs/dbraw/zinc/99/00/58/387990058.db2.gz LMEUYAILKKKUJI-RDBSUJKOSA-N 0 3 247.386 3.134 20 0 BGADHN C[C@@H](NCCCCC1CCCC1)c1ccncn1 ZINC000453121189 202703067 /nfs/dbraw/zinc/70/30/67/202703067.db2.gz OBHVZKOHISHGCR-CYBMUJFWSA-N 0 3 247.386 3.488 20 0 BGADHN C[C@H](NCCCCC1CCCC1)c1ccncn1 ZINC000453121190 387989156 /nfs/dbraw/zinc/98/91/56/387989156.db2.gz OBHVZKOHISHGCR-ZDUSSCGKSA-N 0 3 247.386 3.488 20 0 BGADHN CC[C@H](NCCC(F)(F)F)c1ccncc1 ZINC000453126052 387990901 /nfs/dbraw/zinc/99/09/01/387990901.db2.gz KKFAWUJZOYFIJZ-JTQLQIEISA-N 0 3 232.249 3.075 20 0 BGADHN CC[C@@H](NCCC(F)(F)F)c1ccncc1 ZINC000453126058 387990652 /nfs/dbraw/zinc/99/06/52/387990652.db2.gz KKFAWUJZOYFIJZ-SNVBAGLBSA-N 0 3 232.249 3.075 20 0 BGADHN C[C@H](N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1ccncn1 ZINC000453126645 387991064 /nfs/dbraw/zinc/99/10/64/387991064.db2.gz XZQVWDQUCJEQAW-IGQOVBAYSA-N 0 3 245.370 3.096 20 0 BGADHN C[C@H](N[C@@H]1CC[C@H]2CCC[C@@H]2C1)c1ccncn1 ZINC000453126647 387990798 /nfs/dbraw/zinc/99/07/98/387990798.db2.gz XZQVWDQUCJEQAW-REWJHTLYSA-N 0 3 245.370 3.096 20 0 BGADHN C[C@H](N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1ccncn1 ZINC000453126648 387991457 /nfs/dbraw/zinc/99/14/57/387991457.db2.gz XZQVWDQUCJEQAW-RFQIPJPRSA-N 0 3 245.370 3.096 20 0 BGADHN C[C@H](N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1ccncn1 ZINC000453126649 387990763 /nfs/dbraw/zinc/99/07/63/387990763.db2.gz XZQVWDQUCJEQAW-XDQVBPFNSA-N 0 3 245.370 3.096 20 0 BGADHN C[C@H](NCC[C@H]1CCCC[C@H]1C)c1ccncn1 ZINC000453133617 387992390 /nfs/dbraw/zinc/99/23/90/387992390.db2.gz WZTNCPWDUKPTNW-HZSPNIEDSA-N 0 3 247.386 3.344 20 0 BGADHN C[C@H](NCC[C@@H]1CCCC[C@@H]1C)c1ccncn1 ZINC000453133619 387992775 /nfs/dbraw/zinc/99/27/75/387992775.db2.gz WZTNCPWDUKPTNW-IHRRRGAJSA-N 0 3 247.386 3.344 20 0 BGADHN C[C@H](NCC[C@H]1CCCC[C@@H]1C)c1ccncn1 ZINC000453133621 387993193 /nfs/dbraw/zinc/99/31/93/387993193.db2.gz WZTNCPWDUKPTNW-MELADBBJSA-N 0 3 247.386 3.344 20 0 BGADHN C[C@H](NCC[C@@H]1CCCC[C@H]1C)c1ccncn1 ZINC000453133622 387995516 /nfs/dbraw/zinc/99/55/16/387995516.db2.gz WZTNCPWDUKPTNW-RDBSUJKOSA-N 0 3 247.386 3.344 20 0 BGADHN CC[C@H](N[C@H]1CC[C@@H]1SC)c1ccncc1 ZINC000453134663 387994465 /nfs/dbraw/zinc/99/44/65/387994465.db2.gz GIHJMBWPWGPJPG-AVGNSLFASA-N 0 3 236.384 3.016 20 0 BGADHN CC[C@H](N[C@H]1CC[C@H]1SC)c1ccncc1 ZINC000453134667 202703668 /nfs/dbraw/zinc/70/36/68/202703668.db2.gz GIHJMBWPWGPJPG-RWMBFGLXSA-N 0 3 236.384 3.016 20 0 BGADHN CC[C@H](N[C@@H]1CC[C@@H]1SC)c1ccncc1 ZINC000453134671 387994561 /nfs/dbraw/zinc/99/45/61/387994561.db2.gz GIHJMBWPWGPJPG-XQQFMLRXSA-N 0 3 236.384 3.016 20 0 BGADHN CC[C@H](N[C@@H]1CC[C@H]1SC)c1ccncc1 ZINC000453134673 387995439 /nfs/dbraw/zinc/99/54/39/387995439.db2.gz GIHJMBWPWGPJPG-YNEHKIRRSA-N 0 3 236.384 3.016 20 0 BGADHN C[C@H](N[C@H]1CCC(C)(C)C[C@H]1C)c1ccncn1 ZINC000453137347 387994595 /nfs/dbraw/zinc/99/45/95/387994595.db2.gz QGRVSBVJOBTHDK-AGIUHOORSA-N 0 3 247.386 3.342 20 0 BGADHN C[C@H](N[C@H]1CCC(C)(C)C[C@@H]1C)c1ccncn1 ZINC000453137349 387994346 /nfs/dbraw/zinc/99/43/46/387994346.db2.gz QGRVSBVJOBTHDK-AVGNSLFASA-N 0 3 247.386 3.342 20 0 BGADHN C[C@H](N[C@@H]1CCC(C)(C)C[C@H]1C)c1ccncn1 ZINC000453137351 387995147 /nfs/dbraw/zinc/99/51/47/387995147.db2.gz QGRVSBVJOBTHDK-FRRDWIJNSA-N 0 3 247.386 3.342 20 0 BGADHN C[C@H](N[C@@H]1CCC(C)(C)C[C@@H]1C)c1ccncn1 ZINC000453137352 387994712 /nfs/dbraw/zinc/99/47/12/387994712.db2.gz QGRVSBVJOBTHDK-RWMBFGLXSA-N 0 3 247.386 3.342 20 0 BGADHN CC[C@H](C)C[C@H](C)N[C@@H](C)c1nccn1CC ZINC000453141199 387996892 /nfs/dbraw/zinc/99/68/92/387996892.db2.gz BUPGVXDOCLOLKR-AVGNSLFASA-N 0 3 237.391 3.378 20 0 BGADHN CC[C@H](C)C[C@H](C)N[C@H](C)c1nccn1CC ZINC000453141202 387996538 /nfs/dbraw/zinc/99/65/38/387996538.db2.gz BUPGVXDOCLOLKR-RWMBFGLXSA-N 0 3 237.391 3.378 20 0 BGADHN CC[C@H](C)C[C@@H](C)N[C@@H](C)c1nccn1CC ZINC000453141205 387996813 /nfs/dbraw/zinc/99/68/13/387996813.db2.gz BUPGVXDOCLOLKR-XQQFMLRXSA-N 0 3 237.391 3.378 20 0 BGADHN CC[C@H](C)C[C@@H](C)N[C@H](C)c1nccn1CC ZINC000453141208 387996338 /nfs/dbraw/zinc/99/63/38/387996338.db2.gz BUPGVXDOCLOLKR-YNEHKIRRSA-N 0 3 237.391 3.378 20 0 BGADHN CCn1ccnc1[C@@H](C)NCC1(CC(C)C)CC1 ZINC000453142516 387996560 /nfs/dbraw/zinc/99/65/60/387996560.db2.gz IJOLUFGCAKKAHC-CYBMUJFWSA-N 0 3 249.402 3.380 20 0 BGADHN CCn1ccnc1[C@H](C)NCC1(CC(C)C)CC1 ZINC000453142517 387996320 /nfs/dbraw/zinc/99/63/20/387996320.db2.gz IJOLUFGCAKKAHC-ZDUSSCGKSA-N 0 3 249.402 3.380 20 0 BGADHN CC[C@@H]1CCC[C@H]1N[C@H](C)c1nccn1CC ZINC000453142835 387996463 /nfs/dbraw/zinc/99/64/63/387996463.db2.gz PCHIBMCCDUUAMY-JHJVBQTASA-N 0 3 235.375 3.132 20 0 BGADHN CC[C@@H]1CCC[C@@H]1N[C@H](C)c1nccn1CC ZINC000453142836 387996458 /nfs/dbraw/zinc/99/64/58/387996458.db2.gz PCHIBMCCDUUAMY-UPJWGTAASA-N 0 3 235.375 3.132 20 0 BGADHN CC[C@@H]1CCC[C@@H]1N[C@@H](C)c1nccn1CC ZINC000453142837 387997031 /nfs/dbraw/zinc/99/70/31/387997031.db2.gz PCHIBMCCDUUAMY-XQQFMLRXSA-N 0 3 235.375 3.132 20 0 BGADHN CC[C@@H]1CCC[C@H]1N[C@@H](C)c1nccn1CC ZINC000453142838 387997155 /nfs/dbraw/zinc/99/71/55/387997155.db2.gz PCHIBMCCDUUAMY-YNEHKIRRSA-N 0 3 235.375 3.132 20 0 BGADHN CC(C)CC1(CN[C@H](C)c2ccncn2)CCC1 ZINC000453142842 387996773 /nfs/dbraw/zinc/99/67/73/387996773.db2.gz PDUDSUHGJGDVBZ-CYBMUJFWSA-N 0 3 247.386 3.344 20 0 BGADHN CC(C)CC1(CN[C@@H](C)c2ccncn2)CCC1 ZINC000453142843 387996475 /nfs/dbraw/zinc/99/64/75/387996475.db2.gz PDUDSUHGJGDVBZ-ZDUSSCGKSA-N 0 3 247.386 3.344 20 0 BGADHN CC(C)CC1(CN[C@@H]2CCn3ccnc32)CCC1 ZINC000453142873 387996443 /nfs/dbraw/zinc/99/64/43/387996443.db2.gz PMIARCQOFYBGLJ-CYBMUJFWSA-N 0 3 247.386 3.134 20 0 BGADHN CC(C)CC1(CN[C@H]2CCn3ccnc32)CCC1 ZINC000453142874 386195416 /nfs/dbraw/zinc/19/54/16/386195416.db2.gz PMIARCQOFYBGLJ-ZDUSSCGKSA-N 0 3 247.386 3.134 20 0 BGADHN Cc1cc([C@@H](C)NCc2ccn(C)c2)cs1 ZINC000453142941 387996344 /nfs/dbraw/zinc/99/63/44/387996344.db2.gz UNRRLFJSJZPENT-LLVKDONJSA-N 0 3 234.368 3.246 20 0 BGADHN Cc1cc([C@H](C)NCc2ccn(C)c2)cs1 ZINC000453142950 387996908 /nfs/dbraw/zinc/99/69/08/387996908.db2.gz UNRRLFJSJZPENT-NSHDSACASA-N 0 3 234.368 3.246 20 0 BGADHN CC(C)C1CCC(N[C@@H](C)c2ccncn2)CC1 ZINC000453143849 387996966 /nfs/dbraw/zinc/99/69/66/387996966.db2.gz NBLOESOGAWSQFL-HSBZDZAISA-N 0 3 247.386 3.342 20 0 BGADHN CC(C)C1CCC(N[C@H](C)c2ccncn2)CC1 ZINC000453143850 386193533 /nfs/dbraw/zinc/19/35/33/386193533.db2.gz NBLOESOGAWSQFL-IYXRBSQSSA-N 0 3 247.386 3.342 20 0 BGADHN C[C@H](N[C@@H]1C[C@H]1C1CCCCC1)c1ccncn1 ZINC000453147164 387998717 /nfs/dbraw/zinc/99/87/17/387998717.db2.gz IWLSFHUOBVMQNP-CORIIIEPSA-N 0 3 245.370 3.096 20 0 BGADHN C[C@H](N[C@H]1C[C@@H]1C1CCCCC1)c1ccncn1 ZINC000453147166 387998760 /nfs/dbraw/zinc/99/87/60/387998760.db2.gz IWLSFHUOBVMQNP-LNSITVRQSA-N 0 3 245.370 3.096 20 0 BGADHN C[C@H](N[C@@H]1C[C@@H]1C1CCCCC1)c1ccncn1 ZINC000453147169 387997956 /nfs/dbraw/zinc/99/79/56/387997956.db2.gz IWLSFHUOBVMQNP-NJZAAPMLSA-N 0 3 245.370 3.096 20 0 BGADHN C[C@H](N[C@H]1C[C@H]1C1CCCCC1)c1ccncn1 ZINC000453147170 202704646 /nfs/dbraw/zinc/70/46/46/202704646.db2.gz IWLSFHUOBVMQNP-WHOFXGATSA-N 0 3 245.370 3.096 20 0 BGADHN CCCC1(CN[C@H](C)c2nccn2CC)CC1 ZINC000453154097 202704373 /nfs/dbraw/zinc/70/43/73/202704373.db2.gz ZHLQFKWMMXAELK-GFCCVEGCSA-N 0 3 235.375 3.134 20 0 BGADHN CCCC1(CN[C@@H](C)c2nccn2CC)CC1 ZINC000453154099 387998659 /nfs/dbraw/zinc/99/86/59/387998659.db2.gz ZHLQFKWMMXAELK-LBPRGKRZSA-N 0 3 235.375 3.134 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@H]1CC[C@H](C)CC1 ZINC000453155052 387998007 /nfs/dbraw/zinc/99/80/07/387998007.db2.gz DVXWFKLJYXEADZ-AVGNSLFASA-N 0 3 235.375 3.132 20 0 BGADHN CCn1ccnc1[C@@H](C)N[C@H]1CC[C@H](C)CC1 ZINC000453155053 387998636 /nfs/dbraw/zinc/99/86/36/387998636.db2.gz DVXWFKLJYXEADZ-JHJVBQTASA-N 0 3 235.375 3.132 20 0 BGADHN C[C@H](N[C@H]1C[C@H]1C1CCCCC1)c1cn[nH]c1 ZINC000453155878 387999809 /nfs/dbraw/zinc/99/98/09/387999809.db2.gz VAXGUCCWMOUYLB-BPNCWPANSA-N 0 3 233.359 3.029 20 0 BGADHN C[C@H](N[C@H]1C[C@@H]1C1CCCCC1)c1cn[nH]c1 ZINC000453155879 387999895 /nfs/dbraw/zinc/99/98/95/387999895.db2.gz VAXGUCCWMOUYLB-GDLCADMTSA-N 0 3 233.359 3.029 20 0 BGADHN C[C@H](N[C@@H]1C[C@H]1C1CCCCC1)c1cn[nH]c1 ZINC000453155880 388000107 /nfs/dbraw/zinc/00/01/07/388000107.db2.gz VAXGUCCWMOUYLB-LEWSCRJBSA-N 0 3 233.359 3.029 20 0 BGADHN C[C@H](N[C@@H]1C[C@@H]1C1CCCCC1)c1cn[nH]c1 ZINC000453155881 388000084 /nfs/dbraw/zinc/00/00/84/388000084.db2.gz VAXGUCCWMOUYLB-ZLKJLUDKSA-N 0 3 233.359 3.029 20 0 BGADHN CCn1ccnc1[C@@H](C)NCC1(C)CCCC1 ZINC000453159824 202705198 /nfs/dbraw/zinc/70/51/98/202705198.db2.gz OFCHHESEHHCBAE-GFCCVEGCSA-N 0 3 235.375 3.134 20 0 BGADHN CCn1ccnc1[C@H](C)NCC1(C)CCCC1 ZINC000453159825 387999959 /nfs/dbraw/zinc/99/99/59/387999959.db2.gz OFCHHESEHHCBAE-LBPRGKRZSA-N 0 3 235.375 3.134 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@H]1CC2CCC1CC2 ZINC000453161303 388000036 /nfs/dbraw/zinc/00/00/36/388000036.db2.gz DBKZKTWWOPVBIZ-ABXWRUBCSA-N 0 3 247.386 3.132 20 0 BGADHN CCn1ccnc1[C@@H](C)N[C@@H]1CC2CCC1CC2 ZINC000453161304 388000134 /nfs/dbraw/zinc/00/01/34/388000134.db2.gz DBKZKTWWOPVBIZ-BLYZHGLHSA-N 0 3 247.386 3.132 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@@H]1CC2CCC1CC2 ZINC000453161307 388000228 /nfs/dbraw/zinc/00/02/28/388000228.db2.gz DBKZKTWWOPVBIZ-GFJIZPEISA-N 0 3 247.386 3.132 20 0 BGADHN CCn1ccnc1[C@@H](C)N[C@H]1CC2CCC1CC2 ZINC000453161311 387999762 /nfs/dbraw/zinc/99/97/62/387999762.db2.gz DBKZKTWWOPVBIZ-RYSNWHEDSA-N 0 3 247.386 3.132 20 0 BGADHN CC[C@H](NCc1cncc(C)c1)c1ccncc1 ZINC000453166863 388002267 /nfs/dbraw/zinc/00/22/67/388002267.db2.gz CUXLKSVUEDCVBI-HNNXBMFYSA-N 0 3 241.338 3.026 20 0 BGADHN CC[C@@H](NCc1cncc(C)c1)c1ccncc1 ZINC000453166869 388001757 /nfs/dbraw/zinc/00/17/57/388001757.db2.gz CUXLKSVUEDCVBI-OAHLLOKOSA-N 0 3 241.338 3.026 20 0 BGADHN C[C@@H](NCC1(C)CCCCCC1)c1ccncn1 ZINC000453169740 388001429 /nfs/dbraw/zinc/00/14/29/388001429.db2.gz CTYFJRBPUFCWDU-CYBMUJFWSA-N 0 3 247.386 3.488 20 0 BGADHN C[C@H](NCC1(C)CCCCCC1)c1ccncn1 ZINC000453169743 388002136 /nfs/dbraw/zinc/00/21/36/388002136.db2.gz CTYFJRBPUFCWDU-ZDUSSCGKSA-N 0 3 247.386 3.488 20 0 BGADHN CCn1ccnc1[C@@H](C)NCC12CCC(CC1)C2 ZINC000453170412 388002299 /nfs/dbraw/zinc/00/22/99/388002299.db2.gz GMFZALGPVMQVOK-DNOWBOINSA-N 0 3 247.386 3.134 20 0 BGADHN CCn1ccnc1[C@H](C)NCC12CCC(CC1)C2 ZINC000453170416 202705720 /nfs/dbraw/zinc/70/57/20/202705720.db2.gz GMFZALGPVMQVOK-OPFPJEHXSA-N 0 3 247.386 3.134 20 0 BGADHN CCn1ccnc1[C@@H](C)NCC1(C2CC2)CCC1 ZINC000453170686 388002282 /nfs/dbraw/zinc/00/22/82/388002282.db2.gz LKSVEDCVCJAWRG-GFCCVEGCSA-N 0 3 247.386 3.134 20 0 BGADHN CCn1ccnc1[C@H](C)NCC1(C2CC2)CCC1 ZINC000453170689 388001538 /nfs/dbraw/zinc/00/15/38/388001538.db2.gz LKSVEDCVCJAWRG-LBPRGKRZSA-N 0 3 247.386 3.134 20 0 BGADHN C[C@@H](NCC(C)(C)C1CCCC1)c1ccncn1 ZINC000453171491 388002209 /nfs/dbraw/zinc/00/22/09/388002209.db2.gz LZEXMJLNCWZEQU-GFCCVEGCSA-N 0 3 247.386 3.344 20 0 BGADHN C[C@H](NCC(C)(C)C1CCCC1)c1ccncn1 ZINC000453171492 388002047 /nfs/dbraw/zinc/00/20/47/388002047.db2.gz LZEXMJLNCWZEQU-LBPRGKRZSA-N 0 3 247.386 3.344 20 0 BGADHN CC(C)(CN[C@@H]1CCn2ccnc21)C1CCCC1 ZINC000453175715 388002999 /nfs/dbraw/zinc/00/29/99/388002999.db2.gz QRZRUQBVKJJXJS-CYBMUJFWSA-N 0 3 247.386 3.134 20 0 BGADHN CC(C)(CN[C@H]1CCn2ccnc21)C1CCCC1 ZINC000453175716 388003431 /nfs/dbraw/zinc/00/34/31/388003431.db2.gz QRZRUQBVKJJXJS-ZDUSSCGKSA-N 0 3 247.386 3.134 20 0 BGADHN C[C@@H]1C[C@@H](NCC23CCC(CC2)C3)c2nccn21 ZINC000453189102 388004588 /nfs/dbraw/zinc/00/45/88/388004588.db2.gz ZXNFSSCLRLGCPX-KLNSDEMFSA-N 0 3 245.370 3.059 20 0 BGADHN C[C@H]1C[C@@H](NCC23CCC(CC2)C3)c2nccn21 ZINC000453189103 202705809 /nfs/dbraw/zinc/70/58/09/202705809.db2.gz ZXNFSSCLRLGCPX-OYNVLQORSA-N 0 3 245.370 3.059 20 0 BGADHN C[C@H]1C[C@H](NCC23CCC(CC2)C3)c2nccn21 ZINC000453189104 388005071 /nfs/dbraw/zinc/00/50/71/388005071.db2.gz ZXNFSSCLRLGCPX-SDFYHXNISA-N 0 3 245.370 3.059 20 0 BGADHN C[C@@H]1C[C@H](NCC23CCC(CC2)C3)c2nccn21 ZINC000453189105 388004569 /nfs/dbraw/zinc/00/45/69/388004569.db2.gz ZXNFSSCLRLGCPX-UQJCBBSYSA-N 0 3 245.370 3.059 20 0 BGADHN CCC1(CN[C@@H]2CCn3ccnc32)CCCCC1 ZINC000453189316 388005205 /nfs/dbraw/zinc/00/52/05/388005205.db2.gz BBOGYZPAHLWESZ-CYBMUJFWSA-N 0 3 247.386 3.278 20 0 BGADHN CCC1(CN[C@H]2CCn3ccnc32)CCCCC1 ZINC000453189318 388005029 /nfs/dbraw/zinc/00/50/29/388005029.db2.gz BBOGYZPAHLWESZ-ZDUSSCGKSA-N 0 3 247.386 3.278 20 0 BGADHN C/C=C/C[C@H](CO)N[C@@H](CC)c1ccsc1 ZINC000453192515 388006564 /nfs/dbraw/zinc/00/65/64/388006564.db2.gz GSDZKPRMYUXZET-CBSYICTRSA-N 0 3 239.384 3.116 20 0 BGADHN C/C=C\C[C@H](CO)N[C@@H](CC)c1ccsc1 ZINC000453192516 388007038 /nfs/dbraw/zinc/00/70/38/388007038.db2.gz GSDZKPRMYUXZET-NZTAEXDXSA-N 0 3 239.384 3.116 20 0 BGADHN C/C=C\C[C@H](CO)N[C@H](CC)c1ccsc1 ZINC000453192517 388005710 /nfs/dbraw/zinc/00/57/10/388005710.db2.gz GSDZKPRMYUXZET-UNIPXTFRSA-N 0 3 239.384 3.116 20 0 BGADHN C/C=C/C[C@H](CO)N[C@H](CC)c1ccsc1 ZINC000453192518 386225913 /nfs/dbraw/zinc/22/59/13/386225913.db2.gz GSDZKPRMYUXZET-UXOHQCDBSA-N 0 3 239.384 3.116 20 0 BGADHN C/C=C\C[C@H](CO)N[C@H](C)c1csc(C)c1 ZINC000453196965 388008706 /nfs/dbraw/zinc/00/87/06/388008706.db2.gz MOGWEEACAUDSRM-FTGSRHIXSA-N 0 3 239.384 3.034 20 0 BGADHN C/C=C\C[C@H](CO)N[C@@H](C)c1csc(C)c1 ZINC000453196966 388008576 /nfs/dbraw/zinc/00/85/76/388008576.db2.gz MOGWEEACAUDSRM-YBLMTZRHSA-N 0 3 239.384 3.034 20 0 BGADHN CC[C@H](NC[C@@H]1CCC(C)(C)O1)c1ccncc1 ZINC000453198289 388007809 /nfs/dbraw/zinc/00/78/09/388007809.db2.gz NLKAWEVIFFAXRB-KBPBESRZSA-N 0 3 248.370 3.080 20 0 BGADHN CC[C@H](NC[C@H]1CCC(C)(C)O1)c1ccncc1 ZINC000453198290 388008302 /nfs/dbraw/zinc/00/83/02/388008302.db2.gz NLKAWEVIFFAXRB-KGLIPLIRSA-N 0 3 248.370 3.080 20 0 BGADHN CC[C@@H](NC[C@@H]1CCC(C)(C)O1)c1ccncc1 ZINC000453198291 388008430 /nfs/dbraw/zinc/00/84/30/388008430.db2.gz NLKAWEVIFFAXRB-UONOGXRCSA-N 0 3 248.370 3.080 20 0 BGADHN CC[C@@H](NC[C@H]1CCC(C)(C)O1)c1ccncc1 ZINC000453198292 388008770 /nfs/dbraw/zinc/00/87/70/388008770.db2.gz NLKAWEVIFFAXRB-ZIAGYGMSSA-N 0 3 248.370 3.080 20 0 BGADHN CCn1ccnc1[C@@H](C)N[C@@H]1CCC12CCCC2 ZINC000453200660 388008049 /nfs/dbraw/zinc/00/80/49/388008049.db2.gz ANFPNFAJLNYFNK-CHWSQXEVSA-N 0 3 247.386 3.276 20 0 BGADHN CCn1ccnc1[C@@H](C)N[C@H]1CCC12CCCC2 ZINC000453200663 388008594 /nfs/dbraw/zinc/00/85/94/388008594.db2.gz ANFPNFAJLNYFNK-OLZOCXBDSA-N 0 3 247.386 3.276 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@@H]1CCC12CCCC2 ZINC000453200666 388008602 /nfs/dbraw/zinc/00/86/02/388008602.db2.gz ANFPNFAJLNYFNK-QWHCGFSZSA-N 0 3 247.386 3.276 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@H]1CCC12CCCC2 ZINC000453200669 388008721 /nfs/dbraw/zinc/00/87/21/388008721.db2.gz ANFPNFAJLNYFNK-STQMWFEESA-N 0 3 247.386 3.276 20 0 BGADHN C[C@@H](NCCC1=CCCCCC1)c1ccncn1 ZINC000453200978 388008313 /nfs/dbraw/zinc/00/83/13/388008313.db2.gz RSIBYGZDFNBEDH-CYBMUJFWSA-N 0 3 245.370 3.408 20 0 BGADHN C[C@H](NCCC1=CCCCCC1)c1ccncn1 ZINC000453200980 202706780 /nfs/dbraw/zinc/70/67/80/202706780.db2.gz RSIBYGZDFNBEDH-ZDUSSCGKSA-N 0 3 245.370 3.408 20 0 BGADHN CC[C@@H](NC[C@H](C)C(F)(F)F)c1ccncc1 ZINC000453202348 388008620 /nfs/dbraw/zinc/00/86/20/388008620.db2.gz OHDBXRJSVFMWON-GXSJLCMTSA-N 0 3 246.276 3.321 20 0 BGADHN CC[C@H](NC[C@@H](C)C(F)(F)F)c1ccncc1 ZINC000453202349 388008461 /nfs/dbraw/zinc/00/84/61/388008461.db2.gz OHDBXRJSVFMWON-KOLCDFICSA-N 0 3 246.276 3.321 20 0 BGADHN CC[C@@H](NC[C@@H](C)C(F)(F)F)c1ccncc1 ZINC000453202351 388008530 /nfs/dbraw/zinc/00/85/30/388008530.db2.gz OHDBXRJSVFMWON-MWLCHTKSSA-N 0 3 246.276 3.321 20 0 BGADHN CC[C@H](NC[C@H](C)C(F)(F)F)c1ccncc1 ZINC000453202352 388008849 /nfs/dbraw/zinc/00/88/49/388008849.db2.gz OHDBXRJSVFMWON-ONGXEEELSA-N 0 3 246.276 3.321 20 0 BGADHN CC(C)c1cccc(CN[C@H](C)c2cn[nH]c2)c1 ZINC000453202740 386231304 /nfs/dbraw/zinc/23/13/04/386231304.db2.gz UGZFTDJCNJHDFA-GFCCVEGCSA-N 0 3 243.354 3.384 20 0 BGADHN CC(C)c1cccc(CN[C@@H](C)c2cn[nH]c2)c1 ZINC000453202747 386231382 /nfs/dbraw/zinc/23/13/82/386231382.db2.gz UGZFTDJCNJHDFA-LBPRGKRZSA-N 0 3 243.354 3.384 20 0 BGADHN C[C@H](N[C@H]1C[C@H](C)CC[C@@H]1C)c1ccon1 ZINC000453205312 388009440 /nfs/dbraw/zinc/00/94/40/388009440.db2.gz WOXGOUJFTUDJOV-BLFANLJRSA-N 0 3 222.332 3.150 20 0 BGADHN C[C@@H](N[C@@H]1C[C@H](C)CC[C@@H]1C)c1ccon1 ZINC000453205314 388009906 /nfs/dbraw/zinc/00/99/06/388009906.db2.gz WOXGOUJFTUDJOV-LSCVPOLPSA-N 0 3 222.332 3.150 20 0 BGADHN C[C@H](N[C@@H]1C[C@H](C)CC[C@@H]1C)c1ccon1 ZINC000453205315 388010486 /nfs/dbraw/zinc/01/04/86/388010486.db2.gz WOXGOUJFTUDJOV-MPPDQPJWSA-N 0 3 222.332 3.150 20 0 BGADHN C[C@@H](N[C@H]1C[C@H](C)CC[C@@H]1C)c1ccon1 ZINC000453205317 388009914 /nfs/dbraw/zinc/00/99/14/388009914.db2.gz WOXGOUJFTUDJOV-XZUYRWCXSA-N 0 3 222.332 3.150 20 0 BGADHN CCC1(CN[C@H](C)c2ccncn2)CCCCC1 ZINC000453206834 388010061 /nfs/dbraw/zinc/01/00/61/388010061.db2.gz YZJGFXOXUMENQF-CYBMUJFWSA-N 0 3 247.386 3.488 20 0 BGADHN CCC1(CN[C@@H](C)c2ccncn2)CCCCC1 ZINC000453206835 388010038 /nfs/dbraw/zinc/01/00/38/388010038.db2.gz YZJGFXOXUMENQF-ZDUSSCGKSA-N 0 3 247.386 3.488 20 0 BGADHN OCC[C@H](N[C@@H]1CCCC12CCC2)c1ccco1 ZINC000453207253 388010181 /nfs/dbraw/zinc/01/01/81/388010181.db2.gz ZMYIHLCMINUJCL-GXTWGEPZSA-N 0 3 249.354 3.016 20 0 BGADHN OCC[C@H](N[C@H]1CCCC12CCC2)c1ccco1 ZINC000453207254 388010289 /nfs/dbraw/zinc/01/02/89/388010289.db2.gz ZMYIHLCMINUJCL-JSGCOSHPSA-N 0 3 249.354 3.016 20 0 BGADHN OCC[C@@H](N[C@H]1CCCC12CCC2)c1ccco1 ZINC000453207255 202708263 /nfs/dbraw/zinc/70/82/63/202708263.db2.gz ZMYIHLCMINUJCL-OCCSQVGLSA-N 0 3 249.354 3.016 20 0 BGADHN OCC[C@@H](N[C@@H]1CCCC12CCC2)c1ccco1 ZINC000453207256 388010432 /nfs/dbraw/zinc/01/04/32/388010432.db2.gz ZMYIHLCMINUJCL-TZMCWYRMSA-N 0 3 249.354 3.016 20 0 BGADHN CCC[C@H](NCc1cc(C)nc(C)n1)C(C)(C)C ZINC000453207993 388010219 /nfs/dbraw/zinc/01/02/19/388010219.db2.gz IXJREQZXVXWBIN-AWEZNQCLSA-N 0 3 249.402 3.398 20 0 BGADHN CCC[C@@H](NCc1cc(C)nc(C)n1)C(C)(C)C ZINC000453207995 388010527 /nfs/dbraw/zinc/01/05/27/388010527.db2.gz IXJREQZXVXWBIN-CQSZACIVSA-N 0 3 249.402 3.398 20 0 BGADHN CC[C@@H](N[C@H]1CSC1(C)C)c1ccncc1 ZINC000453208282 386237635 /nfs/dbraw/zinc/23/76/35/386237635.db2.gz GTQVCYSINUWQGN-NEPJUHHUSA-N 0 3 236.384 3.016 20 0 BGADHN CC[C@H](N[C@@H]1CSC1(C)C)c1ccncc1 ZINC000453208284 386237526 /nfs/dbraw/zinc/23/75/26/386237526.db2.gz GTQVCYSINUWQGN-NWDGAFQWSA-N 0 3 236.384 3.016 20 0 BGADHN CC[C@H](N[C@H]1CSC1(C)C)c1ccncc1 ZINC000453208286 386238488 /nfs/dbraw/zinc/23/84/88/386238488.db2.gz GTQVCYSINUWQGN-RYUDHWBXSA-N 0 3 236.384 3.016 20 0 BGADHN CC[C@@H](N[C@@H]1CSC1(C)C)c1ccncc1 ZINC000453208290 386237622 /nfs/dbraw/zinc/23/76/22/386237622.db2.gz GTQVCYSINUWQGN-VXGBXAGGSA-N 0 3 236.384 3.016 20 0 BGADHN CCn1ccnc1[C@@H](C)NCC1C(C)(C)C1(C)C ZINC000453210158 388011223 /nfs/dbraw/zinc/01/12/23/388011223.db2.gz FNGPIVYEPLFBKX-LLVKDONJSA-N 0 3 249.402 3.236 20 0 BGADHN CCn1ccnc1[C@H](C)NCC1C(C)(C)C1(C)C ZINC000453210160 388011829 /nfs/dbraw/zinc/01/18/29/388011829.db2.gz FNGPIVYEPLFBKX-NSHDSACASA-N 0 3 249.402 3.236 20 0 BGADHN C[C@@H]1C[C@H](N[C@H]2CCC23CCCC3)c2nccn21 ZINC000453211451 388011563 /nfs/dbraw/zinc/01/15/63/388011563.db2.gz NEWVEYONHMZUSU-AGIUHOORSA-N 0 3 245.370 3.201 20 0 BGADHN C[C@@H]1C[C@H](N[C@@H]2CCC23CCCC3)c2nccn21 ZINC000453211452 388011024 /nfs/dbraw/zinc/01/10/24/388011024.db2.gz NEWVEYONHMZUSU-FRRDWIJNSA-N 0 3 245.370 3.201 20 0 BGADHN C[C@@H]1C[C@@H](N[C@@H]2CCC23CCCC3)c2nccn21 ZINC000453211453 388012096 /nfs/dbraw/zinc/01/20/96/388012096.db2.gz NEWVEYONHMZUSU-JHJVBQTASA-N 0 3 245.370 3.201 20 0 BGADHN C[C@@H]1C[C@@H](N[C@H]2CCC23CCCC3)c2nccn21 ZINC000453211454 388011920 /nfs/dbraw/zinc/01/19/20/388011920.db2.gz NEWVEYONHMZUSU-UPJWGTAASA-N 0 3 245.370 3.201 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2C[C@@H]2C(F)F)cs1 ZINC000453212709 388011624 /nfs/dbraw/zinc/01/16/24/388011624.db2.gz CQAGGVAIDUGYSP-HGNGGELXSA-N 0 3 231.311 3.361 20 0 BGADHN Cc1cc([C@@H](C)N[C@H]2C[C@@H]2C(F)F)cs1 ZINC000453212710 388011414 /nfs/dbraw/zinc/01/14/14/388011414.db2.gz CQAGGVAIDUGYSP-JEZHCXPESA-N 0 3 231.311 3.361 20 0 BGADHN CCc1cccnc1[C@H](C)NCCC(C)(F)F ZINC000453213029 388012028 /nfs/dbraw/zinc/01/20/28/388012028.db2.gz BNUBXGDSXCMONY-JTQLQIEISA-N 0 3 242.313 3.340 20 0 BGADHN CCc1cccnc1[C@@H](C)NCCC(C)(F)F ZINC000453213039 388011759 /nfs/dbraw/zinc/01/17/59/388011759.db2.gz BNUBXGDSXCMONY-SNVBAGLBSA-N 0 3 242.313 3.340 20 0 BGADHN CC[C@@H](NCCC(C)(F)F)c1ccncc1 ZINC000453213637 388011976 /nfs/dbraw/zinc/01/19/76/388011976.db2.gz COJCMWXPNWUNSZ-LLVKDONJSA-N 0 3 228.286 3.168 20 0 BGADHN CC[C@H](NCCC(C)(F)F)c1ccncc1 ZINC000453213661 388011574 /nfs/dbraw/zinc/01/15/74/388011574.db2.gz COJCMWXPNWUNSZ-NSHDSACASA-N 0 3 228.286 3.168 20 0 BGADHN CC[C@H](N[C@H]1CCC[C@H]1F)c1ccncc1 ZINC000453215417 388013079 /nfs/dbraw/zinc/01/30/79/388013079.db2.gz CMEYVHQZMSCHEB-AGIUHOORSA-N 0 3 222.307 3.013 20 0 BGADHN CC[C@H](N[C@@H]1CCC[C@@H]1F)c1ccncc1 ZINC000453215419 388013065 /nfs/dbraw/zinc/01/30/65/388013065.db2.gz CMEYVHQZMSCHEB-RWMBFGLXSA-N 0 3 222.307 3.013 20 0 BGADHN CC[C@@H](N[C@H]1CCC[C@H]1F)c1ccncc1 ZINC000453215420 388012550 /nfs/dbraw/zinc/01/25/50/388012550.db2.gz CMEYVHQZMSCHEB-UPJWGTAASA-N 0 3 222.307 3.013 20 0 BGADHN CC[C@@H](N[C@@H]1CCC[C@@H]1F)c1ccncc1 ZINC000453215422 388010949 /nfs/dbraw/zinc/01/09/49/388010949.db2.gz CMEYVHQZMSCHEB-YNEHKIRRSA-N 0 3 222.307 3.013 20 0 BGADHN CC[C@@H](NCCSC(C)C)c1ccncc1 ZINC000453215469 388012399 /nfs/dbraw/zinc/01/23/99/388012399.db2.gz GBJIAFYJCADKNY-CYBMUJFWSA-N 0 3 238.400 3.264 20 0 BGADHN CC[C@H](NCCSC(C)C)c1ccncc1 ZINC000453215470 388013174 /nfs/dbraw/zinc/01/31/74/388013174.db2.gz GBJIAFYJCADKNY-ZDUSSCGKSA-N 0 3 238.400 3.264 20 0 BGADHN C[C@@H](NCCC(C)(F)F)c1ccc(Cl)cn1 ZINC000453215674 388013186 /nfs/dbraw/zinc/01/31/86/388013186.db2.gz GIHYFUGKYXLZSD-MRVPVSSYSA-N 0 3 248.704 3.431 20 0 BGADHN C[C@H](NCCC(C)(F)F)c1ccc(Cl)cn1 ZINC000453215677 202709183 /nfs/dbraw/zinc/70/91/83/202709183.db2.gz GIHYFUGKYXLZSD-QMMMGPOBSA-N 0 3 248.704 3.431 20 0 BGADHN C[C@H](NC[C@@H]1CCC[C@H](C)[C@H]1C)c1ccncn1 ZINC000453217558 388013391 /nfs/dbraw/zinc/01/33/91/388013391.db2.gz LYJQNWDNVIHCAI-CRWXNKLISA-N 0 3 247.386 3.200 20 0 BGADHN C[C@H](NC[C@@H]1CCC[C@@H](C)[C@H]1C)c1ccncn1 ZINC000453217559 388013138 /nfs/dbraw/zinc/01/31/38/388013138.db2.gz LYJQNWDNVIHCAI-MQYQWHSLSA-N 0 3 247.386 3.200 20 0 BGADHN C[C@H](NC[C@@H]1CCC[C@@H](C)[C@@H]1C)c1ccncn1 ZINC000453217560 388013481 /nfs/dbraw/zinc/01/34/81/388013481.db2.gz LYJQNWDNVIHCAI-RFGFWPKPSA-N 0 3 247.386 3.200 20 0 BGADHN C[C@H](NC[C@@H]1CCC[C@H](C)[C@@H]1C)c1ccncn1 ZINC000453217562 202710042 /nfs/dbraw/zinc/71/00/42/202710042.db2.gz LYJQNWDNVIHCAI-XUXIUFHCSA-N 0 3 247.386 3.200 20 0 BGADHN CC(C)[C@@H](CC(F)(F)F)N[C@H](C)c1cn[nH]c1 ZINC000453219098 388012560 /nfs/dbraw/zinc/01/25/60/388012560.db2.gz LPULTENOWXWFAA-PSASIEDQSA-N 0 3 249.280 3.037 20 0 BGADHN CC(C)[C@H](CC(F)(F)F)N[C@H](C)c1cn[nH]c1 ZINC000453219099 388012488 /nfs/dbraw/zinc/01/24/88/388012488.db2.gz LPULTENOWXWFAA-SCZZXKLOSA-N 0 3 249.280 3.037 20 0 BGADHN CC(C)[C@@H](CC(F)(F)F)N[C@@H](C)c1cn[nH]c1 ZINC000453219100 388013339 /nfs/dbraw/zinc/01/33/39/388013339.db2.gz LPULTENOWXWFAA-WCBMZHEXSA-N 0 3 249.280 3.037 20 0 BGADHN CC(C)[C@H](CC(F)(F)F)N[C@@H](C)c1cn[nH]c1 ZINC000453219101 388012444 /nfs/dbraw/zinc/01/24/44/388012444.db2.gz LPULTENOWXWFAA-WPRPVWTQSA-N 0 3 249.280 3.037 20 0 BGADHN C[C@@H](NCC1(C)CCC(C)CC1)c1ccncn1 ZINC000453220050 388014449 /nfs/dbraw/zinc/01/44/49/388014449.db2.gz OQDGWEUPSBMRRW-JVWICGRDSA-N 0 3 247.386 3.344 20 0 BGADHN C[C@H](NCC1(C)CCC(C)CC1)c1ccncn1 ZINC000453220051 386250743 /nfs/dbraw/zinc/25/07/43/386250743.db2.gz OQDGWEUPSBMRRW-OWYJLGKBSA-N 0 3 247.386 3.344 20 0 BGADHN C[C@H](CC1CCCCC1)N[C@H](C)c1ccncn1 ZINC000453221622 388013939 /nfs/dbraw/zinc/01/39/39/388013939.db2.gz PTVIYSABVSZGFZ-CHWSQXEVSA-N 0 3 247.386 3.486 20 0 BGADHN C[C@H](CC1CCCCC1)N[C@@H](C)c1ccncn1 ZINC000453221623 388014763 /nfs/dbraw/zinc/01/47/63/388014763.db2.gz PTVIYSABVSZGFZ-OLZOCXBDSA-N 0 3 247.386 3.486 20 0 BGADHN C[C@@H](N[C@@H](C)CC1CCCCC1)c1ccncn1 ZINC000453221624 388014858 /nfs/dbraw/zinc/01/48/58/388014858.db2.gz PTVIYSABVSZGFZ-QWHCGFSZSA-N 0 3 247.386 3.486 20 0 BGADHN C[C@@H](CC1CCCCC1)N[C@@H](C)c1ccncn1 ZINC000453221625 388014344 /nfs/dbraw/zinc/01/43/44/388014344.db2.gz PTVIYSABVSZGFZ-STQMWFEESA-N 0 3 247.386 3.486 20 0 BGADHN CCn1ccnc1[C@@H](C)NC[C@H]1CCCC1(C)C ZINC000453222237 388014052 /nfs/dbraw/zinc/01/40/52/388014052.db2.gz KZUFROBZHLOCOW-CHWSQXEVSA-N 0 3 249.402 3.380 20 0 BGADHN CCn1ccnc1[C@@H](C)NC[C@@H]1CCCC1(C)C ZINC000453222238 388014272 /nfs/dbraw/zinc/01/42/72/388014272.db2.gz KZUFROBZHLOCOW-OLZOCXBDSA-N 0 3 249.402 3.380 20 0 BGADHN CCn1ccnc1[C@H](C)NC[C@H]1CCCC1(C)C ZINC000453222239 388014368 /nfs/dbraw/zinc/01/43/68/388014368.db2.gz KZUFROBZHLOCOW-QWHCGFSZSA-N 0 3 249.402 3.380 20 0 BGADHN CCn1ccnc1[C@H](C)NC[C@@H]1CCCC1(C)C ZINC000453222240 388014325 /nfs/dbraw/zinc/01/43/25/388014325.db2.gz KZUFROBZHLOCOW-STQMWFEESA-N 0 3 249.402 3.380 20 0 BGADHN CC(C)[C@@H](NCCC(C)(F)F)c1cccnc1 ZINC000453222798 388014220 /nfs/dbraw/zinc/01/42/20/388014220.db2.gz RFGMWWJOSQFMPY-GFCCVEGCSA-N 0 3 242.313 3.414 20 0 BGADHN CC(C)[C@H](NCCC(C)(F)F)c1cccnc1 ZINC000453222799 202712758 /nfs/dbraw/zinc/71/27/58/202712758.db2.gz RFGMWWJOSQFMPY-LBPRGKRZSA-N 0 3 242.313 3.414 20 0 BGADHN C[C@H](CCN[C@@H]1CCn2ccnc21)CC(C)(C)C ZINC000453223115 386246503 /nfs/dbraw/zinc/24/65/03/386246503.db2.gz PEIAKTSSHRXRGX-CHWSQXEVSA-N 0 3 249.402 3.380 20 0 BGADHN C[C@H](CCN[C@H]1CCn2ccnc21)CC(C)(C)C ZINC000453223122 386246495 /nfs/dbraw/zinc/24/64/95/386246495.db2.gz PEIAKTSSHRXRGX-OLZOCXBDSA-N 0 3 249.402 3.380 20 0 BGADHN C[C@@H](CCN[C@@H]1CCn2ccnc21)CC(C)(C)C ZINC000453223125 386246316 /nfs/dbraw/zinc/24/63/16/386246316.db2.gz PEIAKTSSHRXRGX-QWHCGFSZSA-N 0 3 249.402 3.380 20 0 BGADHN C[C@@H](CCN[C@H]1CCn2ccnc21)CC(C)(C)C ZINC000453223135 386246352 /nfs/dbraw/zinc/24/63/52/386246352.db2.gz PEIAKTSSHRXRGX-STQMWFEESA-N 0 3 249.402 3.380 20 0 BGADHN CCn1ccnc1[C@@H](C)NCCC(C)(C)C1CC1 ZINC000453223270 388014523 /nfs/dbraw/zinc/01/45/23/388014523.db2.gz MBPWWZVRXCCLAS-GFCCVEGCSA-N 0 3 249.402 3.380 20 0 BGADHN CCn1ccnc1[C@H](C)NCCC(C)(C)C1CC1 ZINC000453223273 388014874 /nfs/dbraw/zinc/01/48/74/388014874.db2.gz MBPWWZVRXCCLAS-LBPRGKRZSA-N 0 3 249.402 3.380 20 0 BGADHN CCc1ccc([C@H](C)NC2CC(C)(F)C2)o1 ZINC000453228395 388015792 /nfs/dbraw/zinc/01/57/92/388015792.db2.gz BWGFAJRICZWXBH-JBLZRFIASA-N 0 3 225.307 3.383 20 0 BGADHN CCc1ccc([C@@H](C)NC2CC(C)(F)C2)o1 ZINC000453228413 388015760 /nfs/dbraw/zinc/01/57/60/388015760.db2.gz BWGFAJRICZWXBH-TTXORMCVSA-N 0 3 225.307 3.383 20 0 BGADHN C[C@@H](CC1CCCCC1)N[C@@H]1CCn2ccnc21 ZINC000453229568 386257130 /nfs/dbraw/zinc/25/71/30/386257130.db2.gz VFABHXASMGADEV-GXTWGEPZSA-N 0 3 247.386 3.276 20 0 BGADHN C[C@@H](CC1CCCCC1)N[C@H]1CCn2ccnc21 ZINC000453229576 386256779 /nfs/dbraw/zinc/25/67/79/386256779.db2.gz VFABHXASMGADEV-JSGCOSHPSA-N 0 3 247.386 3.276 20 0 BGADHN C[C@H](CC1CCCCC1)N[C@H]1CCn2ccnc21 ZINC000453229579 386256274 /nfs/dbraw/zinc/25/62/74/386256274.db2.gz VFABHXASMGADEV-OCCSQVGLSA-N 0 3 247.386 3.276 20 0 BGADHN C[C@H](CC1CCCCC1)N[C@@H]1CCn2ccnc21 ZINC000453229582 386257899 /nfs/dbraw/zinc/25/78/99/386257899.db2.gz VFABHXASMGADEV-TZMCWYRMSA-N 0 3 247.386 3.276 20 0 BGADHN CC1(F)CC(N[C@@H](c2cccnc2)C2CCC2)C1 ZINC000453229777 388017655 /nfs/dbraw/zinc/01/76/55/388017655.db2.gz CVGNNYZAYCKRAX-SHARSMKWSA-N 0 3 248.345 3.403 20 0 BGADHN CC1(F)CC(N[C@H](c2cccnc2)C2CCC2)C1 ZINC000453229779 388017241 /nfs/dbraw/zinc/01/72/41/388017241.db2.gz CVGNNYZAYCKRAX-SLTAFYQDSA-N 0 3 248.345 3.403 20 0 BGADHN CCn1ccnc1[C@@H](C)NCC(C)(C)C(C)C ZINC000453230166 386262129 /nfs/dbraw/zinc/26/21/29/386262129.db2.gz UKPJYCHXCDCSPP-GFCCVEGCSA-N 0 3 237.391 3.236 20 0 BGADHN CCn1ccnc1[C@H](C)NCC(C)(C)C(C)C ZINC000453230168 200789948 /nfs/dbraw/zinc/78/99/48/200789948.db2.gz UKPJYCHXCDCSPP-LBPRGKRZSA-N 0 3 237.391 3.236 20 0 BGADHN CC1(F)CC(N[C@@H]2CCCOc3ccccc32)C1 ZINC000453231605 388017740 /nfs/dbraw/zinc/01/77/40/388017740.db2.gz GFZNUZBINMUBAE-GLWUULTISA-N 0 3 249.329 3.381 20 0 BGADHN CC1(F)CC(N[C@H]2CCCOc3ccccc32)C1 ZINC000453231607 388018085 /nfs/dbraw/zinc/01/80/85/388018085.db2.gz GFZNUZBINMUBAE-QRJNDHJOSA-N 0 3 249.329 3.381 20 0 BGADHN C[C@@H](NCCCC(C)(F)F)c1ccncc1F ZINC000453232054 388017915 /nfs/dbraw/zinc/01/79/15/388017915.db2.gz IZHHDYRHGFIRKH-SECBINFHSA-N 0 3 246.276 3.307 20 0 BGADHN C[C@H](NCCCC(C)(F)F)c1ccncc1F ZINC000453232057 388017153 /nfs/dbraw/zinc/01/71/53/388017153.db2.gz IZHHDYRHGFIRKH-VIFPVBQESA-N 0 3 246.276 3.307 20 0 BGADHN CCn1ccnc1[C@H](C)NC1CC(C(C)(C)C)C1 ZINC000453232117 388017966 /nfs/dbraw/zinc/01/79/66/388017966.db2.gz GYHDBPOQZBWWSC-HIFPTAJRSA-N 0 3 249.402 3.378 20 0 BGADHN CCn1ccnc1[C@@H](C)NC1CC(C(C)(C)C)C1 ZINC000453232120 388017464 /nfs/dbraw/zinc/01/74/64/388017464.db2.gz GYHDBPOQZBWWSC-PNESKVBLSA-N 0 3 249.402 3.378 20 0 BGADHN CC[C@H]1CC[C@H](N[C@@H]2C[C@@H](C)n3ccnc32)CC1 ZINC000453233474 388018802 /nfs/dbraw/zinc/01/88/02/388018802.db2.gz HYOOWVUBGQZMQY-AAVRWANBSA-N 0 3 247.386 3.447 20 0 BGADHN CC[C@H]1CC[C@H](N[C@H]2C[C@@H](C)n3ccnc32)CC1 ZINC000453233475 388018677 /nfs/dbraw/zinc/01/86/77/388018677.db2.gz HYOOWVUBGQZMQY-SYQHCUMBSA-N 0 3 247.386 3.447 20 0 BGADHN CC[C@H]1CC[C@H](N[C@@H]2C[C@H](C)n3ccnc32)CC1 ZINC000453233476 388018565 /nfs/dbraw/zinc/01/85/65/388018565.db2.gz HYOOWVUBGQZMQY-XDQVBPFNSA-N 0 3 247.386 3.447 20 0 BGADHN CC[C@H]1CC[C@H](N[C@H]2C[C@H](C)n3ccnc32)CC1 ZINC000453233477 388019724 /nfs/dbraw/zinc/01/97/24/388019724.db2.gz HYOOWVUBGQZMQY-XUXIUFHCSA-N 0 3 247.386 3.447 20 0 BGADHN CC[C@H](NC1CC(C)(F)C1)c1ccncc1 ZINC000453234611 388019068 /nfs/dbraw/zinc/01/90/68/388019068.db2.gz JFHVVWVJRSLKHN-CPCZMJQVSA-N 0 3 222.307 3.013 20 0 BGADHN CC[C@@H](NC1CC(C)(F)C1)c1ccncc1 ZINC000453234612 388019106 /nfs/dbraw/zinc/01/91/06/388019106.db2.gz JFHVVWVJRSLKHN-OTTFEQOBSA-N 0 3 222.307 3.013 20 0 BGADHN Cc1cc([C@@H](C)NC2CC(C)(F)C2)oc1C ZINC000453235319 388019695 /nfs/dbraw/zinc/01/96/95/388019695.db2.gz JXAIHENBZYMHLT-CBZQXFMTSA-N 0 3 225.307 3.438 20 0 BGADHN Cc1cc([C@H](C)NC2CC(C)(F)C2)oc1C ZINC000453235325 388018727 /nfs/dbraw/zinc/01/87/27/388018727.db2.gz JXAIHENBZYMHLT-FJJSSXBZSA-N 0 3 225.307 3.438 20 0 BGADHN CCC[C@H](NC1CC(C)(F)C1)c1cccnc1 ZINC000453236291 388019007 /nfs/dbraw/zinc/01/90/07/388019007.db2.gz LCTYCMMTBKKRAK-MOKVOYLWSA-N 0 3 236.334 3.403 20 0 BGADHN CCC[C@@H](NC1CC(C)(F)C1)c1cccnc1 ZINC000453236293 388019717 /nfs/dbraw/zinc/01/97/17/388019717.db2.gz LCTYCMMTBKKRAK-ROKHWSDSSA-N 0 3 236.334 3.403 20 0 BGADHN Cc1cc([C@@H](C)NC2CC(C)(F)C2)c(C)o1 ZINC000453237048 388020345 /nfs/dbraw/zinc/02/03/45/388020345.db2.gz LZXIVZUDFGAOQC-CBZQXFMTSA-N 0 3 225.307 3.438 20 0 BGADHN Cc1cc([C@H](C)NC2CC(C)(F)C2)c(C)o1 ZINC000453237054 388020579 /nfs/dbraw/zinc/02/05/79/388020579.db2.gz LZXIVZUDFGAOQC-FJJSSXBZSA-N 0 3 225.307 3.438 20 0 BGADHN CCc1cccnc1[C@H](C)NC1CC(C)(F)C1 ZINC000453237512 388020897 /nfs/dbraw/zinc/02/08/97/388020897.db2.gz MTNGYOWNTPUFFB-JKDOVBDQSA-N 0 3 236.334 3.185 20 0 BGADHN CCc1cccnc1[C@@H](C)NC1CC(C)(F)C1 ZINC000453237513 388020638 /nfs/dbraw/zinc/02/06/38/388020638.db2.gz MTNGYOWNTPUFFB-PWQPVHBWSA-N 0 3 236.334 3.185 20 0 BGADHN CCC[C@@H](NC1CC(C)(F)C1)c1ccccn1 ZINC000453237515 388020525 /nfs/dbraw/zinc/02/05/25/388020525.db2.gz MUDJWHUPNKLYSJ-HRDQMINSSA-N 0 3 236.334 3.403 20 0 BGADHN CCC[C@H](NC1CC(C)(F)C1)c1ccccn1 ZINC000453237516 388020168 /nfs/dbraw/zinc/02/01/68/388020168.db2.gz MUDJWHUPNKLYSJ-QRMWWUJWSA-N 0 3 236.334 3.403 20 0 BGADHN CC(C)n1cc([C@H](C)NC2CC(C)(F)C2)cn1 ZINC000453238602 388020302 /nfs/dbraw/zinc/02/03/02/388020302.db2.gz OMJNVLGBDFEPPG-PKSQDBQZSA-N 0 3 239.338 3.005 20 0 BGADHN CC(C)n1cc([C@@H](C)NC2CC(C)(F)C2)cn1 ZINC000453238603 388020908 /nfs/dbraw/zinc/02/09/08/388020908.db2.gz OMJNVLGBDFEPPG-QFWMXSHPSA-N 0 3 239.338 3.005 20 0 BGADHN CC1(F)CC(N[C@@H]2CCc3ccc(F)cc32)C1 ZINC000453239297 488186472 /nfs/dbraw/zinc/18/64/72/488186472.db2.gz BAXXATONOLDAIH-HRDQMINSSA-N 0 3 237.293 3.293 20 0 BGADHN CC1(F)CC(N[C@H]2CCc3ccc(F)cc32)C1 ZINC000453239298 488186280 /nfs/dbraw/zinc/18/62/80/488186280.db2.gz BAXXATONOLDAIH-QRMWWUJWSA-N 0 3 237.293 3.293 20 0 BGADHN COc1ccsc1[C@H](C)NC1CC(C)(F)C1 ZINC000453240198 388021662 /nfs/dbraw/zinc/02/16/62/388021662.db2.gz RTLLCWZFSNQJKO-QTZUAFFRSA-N 0 3 243.347 3.298 20 0 BGADHN COc1ccsc1[C@@H](C)NC1CC(C)(F)C1 ZINC000453240199 388022065 /nfs/dbraw/zinc/02/20/65/388022065.db2.gz RTLLCWZFSNQJKO-YDNLMGDJSA-N 0 3 243.347 3.298 20 0 BGADHN CC[C@H]1CC[C@H](N[C@@H](C)c2ccncn2)CC1 ZINC000453240721 388021734 /nfs/dbraw/zinc/02/17/34/388021734.db2.gz OWULPZNAKYGKGV-AVGNSLFASA-N 0 3 233.359 3.096 20 0 BGADHN CC[C@H]1CC[C@H](N[C@H](C)c2ccncn2)CC1 ZINC000453240722 388021725 /nfs/dbraw/zinc/02/17/25/388021725.db2.gz OWULPZNAKYGKGV-JHJVBQTASA-N 0 3 233.359 3.096 20 0 BGADHN CC[C@@H](N[C@H]1C[C@@H]1C(F)F)c1ccsc1 ZINC000453241221 388022446 /nfs/dbraw/zinc/02/24/46/388022446.db2.gz YWXPFNDWDJWMNY-AEJSXWLSSA-N 0 3 231.311 3.442 20 0 BGADHN CC[C@H](N[C@H]1C[C@@H]1C(F)F)c1ccsc1 ZINC000453241222 388022319 /nfs/dbraw/zinc/02/23/19/388022319.db2.gz YWXPFNDWDJWMNY-GUBZILKMSA-N 0 3 231.311 3.442 20 0 BGADHN CC1(F)CC(N[C@H]2CCc3c2cccc3F)C1 ZINC000453242616 388022182 /nfs/dbraw/zinc/02/21/82/388022182.db2.gz WCWFRDQULZDOMB-IMXVTNBVSA-N 0 3 237.293 3.293 20 0 BGADHN CC1(F)CC(N[C@@H]2CCc3c2cccc3F)C1 ZINC000453242619 388022304 /nfs/dbraw/zinc/02/23/04/388022304.db2.gz WCWFRDQULZDOMB-JRZRUSQNSA-N 0 3 237.293 3.293 20 0 BGADHN CC[C@H](NC1CC(C)(F)C1)c1ccc(F)cn1 ZINC000453242731 388021806 /nfs/dbraw/zinc/02/18/06/388021806.db2.gz WNVICCARKJYYMW-AKJDGMEZSA-N 0 3 240.297 3.152 20 0 BGADHN CC[C@@H](NC1CC(C)(F)C1)c1ccc(F)cn1 ZINC000453242732 388021553 /nfs/dbraw/zinc/02/15/53/388021553.db2.gz WNVICCARKJYYMW-QWKFWESOSA-N 0 3 240.297 3.152 20 0 BGADHN CCC[C@H](N[C@@H]1CCn2ccnc21)C(C)(C)C ZINC000453244782 388023086 /nfs/dbraw/zinc/02/30/86/388023086.db2.gz ZFZCRUUMUWUOJH-NEPJUHHUSA-N 0 3 235.375 3.132 20 0 BGADHN CCC[C@@H](N[C@H]1CCn2ccnc21)C(C)(C)C ZINC000453244787 388023858 /nfs/dbraw/zinc/02/38/58/388023858.db2.gz ZFZCRUUMUWUOJH-NWDGAFQWSA-N 0 3 235.375 3.132 20 0 BGADHN CCC[C@H](N[C@H]1CCn2ccnc21)C(C)(C)C ZINC000453244791 388023636 /nfs/dbraw/zinc/02/36/36/388023636.db2.gz ZFZCRUUMUWUOJH-RYUDHWBXSA-N 0 3 235.375 3.132 20 0 BGADHN CCC[C@@H](N[C@@H]1CCn2ccnc21)C(C)(C)C ZINC000453244796 388024106 /nfs/dbraw/zinc/02/41/06/388024106.db2.gz ZFZCRUUMUWUOJH-VXGBXAGGSA-N 0 3 235.375 3.132 20 0 BGADHN CC[C@@H](N[C@H](C)[C@@H](C)OC)c1ccsc1 ZINC000453247147 388025347 /nfs/dbraw/zinc/02/53/47/388025347.db2.gz HOXBWDNLFKNWJY-CKYFFXLPSA-N 0 3 227.373 3.212 20 0 BGADHN CC[C@H](N[C@H](C)[C@@H](C)OC)c1ccsc1 ZINC000453247149 388019281 /nfs/dbraw/zinc/01/92/81/388019281.db2.gz HOXBWDNLFKNWJY-FOGDFJRCSA-N 0 3 227.373 3.212 20 0 BGADHN CC[C@@H](N[C@H](C)[C@H](C)OC)c1ccsc1 ZINC000453247151 388019497 /nfs/dbraw/zinc/01/94/97/388019497.db2.gz HOXBWDNLFKNWJY-JFGNBEQYSA-N 0 3 227.373 3.212 20 0 BGADHN CC[C@H](N[C@H](C)[C@H](C)OC)c1ccsc1 ZINC000453247152 388018538 /nfs/dbraw/zinc/01/85/38/388018538.db2.gz HOXBWDNLFKNWJY-SCVCMEIPSA-N 0 3 227.373 3.212 20 0 BGADHN C[C@H](NC1CC(C)(F)C1)c1ccc(F)cc1 ZINC000453247582 202720332 /nfs/dbraw/zinc/72/03/32/202720332.db2.gz JZPPSVKYATXFOR-ALXWSUNGSA-N 0 3 225.282 3.367 20 0 BGADHN C[C@@H](NC1CC(C)(F)C1)c1ccc(F)cc1 ZINC000453247583 388025618 /nfs/dbraw/zinc/02/56/18/388025618.db2.gz JZPPSVKYATXFOR-UHEGKEBESA-N 0 3 225.282 3.367 20 0 BGADHN C[C@@H](N[C@]1(C)C[C@H]1c1ccccc1)c1cn[nH]c1 ZINC000453247970 388024950 /nfs/dbraw/zinc/02/49/50/388024950.db2.gz WZRPOVLJOBUOPV-BYCMXARLSA-N 0 3 241.338 3.007 20 0 BGADHN C[C@H](N[C@]1(C)C[C@H]1c1ccccc1)c1cn[nH]c1 ZINC000453247973 388024796 /nfs/dbraw/zinc/02/47/96/388024796.db2.gz WZRPOVLJOBUOPV-TUKIKUTGSA-N 0 3 241.338 3.007 20 0 BGADHN CCc1nc(C)c(CN[C@H](C2CC2)C2CCC2)o1 ZINC000453248139 202720288 /nfs/dbraw/zinc/72/02/88/202720288.db2.gz XJPXQACMJDTESI-HNNXBMFYSA-N 0 3 248.370 3.214 20 0 BGADHN CCc1nc(C)c(CN[C@@H](C2CC2)C2CCC2)o1 ZINC000453248142 388024763 /nfs/dbraw/zinc/02/47/63/388024763.db2.gz XJPXQACMJDTESI-OAHLLOKOSA-N 0 3 248.370 3.214 20 0 BGADHN COc1ccccc1[C@@H](C)NC1CC(C)(F)C1 ZINC000453248678 388024914 /nfs/dbraw/zinc/02/49/14/388024914.db2.gz LKQFLMNFZGFGLP-CDWSIMAYSA-N 0 3 237.318 3.236 20 0 BGADHN COc1ccccc1[C@H](C)NC1CC(C)(F)C1 ZINC000453248679 388025740 /nfs/dbraw/zinc/02/57/40/388025740.db2.gz LKQFLMNFZGFGLP-IFQILLTASA-N 0 3 237.318 3.236 20 0 BGADHN CCC[C@@H](NCc1snnc1C)C(C)(C)C ZINC000453250487 388024890 /nfs/dbraw/zinc/02/48/90/388024890.db2.gz YXCRCCFWWPGDJC-LLVKDONJSA-N 0 3 241.404 3.151 20 0 BGADHN CCC[C@H](NCc1snnc1C)C(C)(C)C ZINC000453250488 388025206 /nfs/dbraw/zinc/02/52/06/388025206.db2.gz YXCRCCFWWPGDJC-NSHDSACASA-N 0 3 241.404 3.151 20 0 BGADHN CC[C@H](N[C@@H]1C[C@H](C)CC[C@H]1C)C(F)F ZINC000453252209 388026599 /nfs/dbraw/zinc/02/65/99/388026599.db2.gz VECOTBYAECJJOI-CHWFTXMASA-N 0 3 219.319 3.444 20 0 BGADHN CC[C@H](N[C@@H]1C[C@H](C)CC[C@@H]1C)C(F)F ZINC000453252211 388026357 /nfs/dbraw/zinc/02/63/57/388026357.db2.gz VECOTBYAECJJOI-VPOLOUISSA-N 0 3 219.319 3.444 20 0 BGADHN CC[C@H](N[C@@H]1C[C@@H](C)CC[C@@H]1C)C(F)F ZINC000453252213 388027199 /nfs/dbraw/zinc/02/71/99/388027199.db2.gz VECOTBYAECJJOI-XWLWVQCSSA-N 0 3 219.319 3.444 20 0 BGADHN CC[C@H](N[C@@H]1C[C@@H](C)CC[C@H]1C)C(F)F ZINC000453252215 388027105 /nfs/dbraw/zinc/02/71/05/388027105.db2.gz VECOTBYAECJJOI-ZRUFSTJUSA-N 0 3 219.319 3.444 20 0 BGADHN CC[C@H](N[C@@H]1CCC[C@@H](C)[C@H]1C)C(F)F ZINC000453252217 388027162 /nfs/dbraw/zinc/02/71/62/388027162.db2.gz VFCFZEHMDNKWTO-CHWFTXMASA-N 0 3 219.319 3.444 20 0 BGADHN CC[C@H](N[C@@H]1CCC[C@@H](C)[C@@H]1C)C(F)F ZINC000453252219 202720121 /nfs/dbraw/zinc/72/01/21/202720121.db2.gz VFCFZEHMDNKWTO-VPOLOUISSA-N 0 3 219.319 3.444 20 0 BGADHN CC[C@H](N[C@@H]1CCC[C@H](C)[C@@H]1C)C(F)F ZINC000453252221 388027155 /nfs/dbraw/zinc/02/71/55/388027155.db2.gz VFCFZEHMDNKWTO-XWLWVQCSSA-N 0 3 219.319 3.444 20 0 BGADHN CC[C@H](N[C@@H]1CCC[C@H](C)[C@H]1C)C(F)F ZINC000453252224 388027205 /nfs/dbraw/zinc/02/72/05/388027205.db2.gz VFCFZEHMDNKWTO-ZRUFSTJUSA-N 0 3 219.319 3.444 20 0 BGADHN CO[C@@H](C)[C@H](C)N[C@H](C)c1ccc(C)c(F)c1 ZINC000453252609 388026544 /nfs/dbraw/zinc/02/65/44/388026544.db2.gz HLSCTSBADFGSIC-TUAOUCFPSA-N 0 3 239.334 3.208 20 0 BGADHN CO[C@@H](C)[C@@H](C)N[C@H](C)c1ccc(C)c(F)c1 ZINC000453252611 388026563 /nfs/dbraw/zinc/02/65/63/388026563.db2.gz HLSCTSBADFGSIC-UTUOFQBUSA-N 0 3 239.334 3.208 20 0 BGADHN C[C@H](NC1CC(C)(F)C1)c1cccc(F)c1 ZINC000453253903 388027170 /nfs/dbraw/zinc/02/71/70/388027170.db2.gz QHUYTCNFOBQXGT-ALXWSUNGSA-N 0 3 225.282 3.367 20 0 BGADHN C[C@@H](NC1CC(C)(F)C1)c1cccc(F)c1 ZINC000453253904 388026903 /nfs/dbraw/zinc/02/69/03/388026903.db2.gz QHUYTCNFOBQXGT-UHEGKEBESA-N 0 3 225.282 3.367 20 0 BGADHN CC1(F)CC(N[C@@H]2CCc3cc(F)ccc32)C1 ZINC000453254075 388026962 /nfs/dbraw/zinc/02/69/62/388026962.db2.gz QSFNLIHDLCEYEM-HRDQMINSSA-N 0 3 237.293 3.293 20 0 BGADHN CC1(F)CC(N[C@H]2CCc3cc(F)ccc32)C1 ZINC000453254077 388026364 /nfs/dbraw/zinc/02/63/64/388026364.db2.gz QSFNLIHDLCEYEM-QRMWWUJWSA-N 0 3 237.293 3.293 20 0 BGADHN COc1ccc([C@H](C)NC2CC(C)(F)C2)cc1 ZINC000453259200 398148277 /nfs/dbraw/zinc/14/82/77/398148277.db2.gz WPAFIZPIVHXZBN-JKDOVBDQSA-N 0 3 237.318 3.236 20 0 BGADHN COc1ccc([C@@H](C)NC2CC(C)(F)C2)cc1 ZINC000453259203 398148302 /nfs/dbraw/zinc/14/83/02/398148302.db2.gz WPAFIZPIVHXZBN-PWQPVHBWSA-N 0 3 237.318 3.236 20 0 BGADHN COc1cccc([C@H](C)NC2CC(C)(F)C2)c1 ZINC000453259755 388027811 /nfs/dbraw/zinc/02/78/11/388027811.db2.gz XNJVDQKSOBILSX-JKDOVBDQSA-N 0 3 237.318 3.236 20 0 BGADHN COc1cccc([C@@H](C)NC2CC(C)(F)C2)c1 ZINC000453259756 398148265 /nfs/dbraw/zinc/14/82/65/398148265.db2.gz XNJVDQKSOBILSX-PWQPVHBWSA-N 0 3 237.318 3.236 20 0 BGADHN CCC[C@@H](CN[C@@H](C)c1ccc(CC)o1)OC ZINC000453260320 202722166 /nfs/dbraw/zinc/72/21/66/202722166.db2.gz XTGCGNIBPFKTSK-AAEUAGOBSA-N 0 3 239.359 3.308 20 0 BGADHN CCC[C@H](CN[C@H](C)c1ccc(CC)o1)OC ZINC000453260321 388028358 /nfs/dbraw/zinc/02/83/58/388028358.db2.gz XTGCGNIBPFKTSK-DGCLKSJQSA-N 0 3 239.359 3.308 20 0 BGADHN CCC[C@H](CN[C@@H](C)c1ccc(CC)o1)OC ZINC000453260322 388027591 /nfs/dbraw/zinc/02/75/91/388027591.db2.gz XTGCGNIBPFKTSK-WCQYABFASA-N 0 3 239.359 3.308 20 0 BGADHN CCC[C@@H](CN[C@H](C)c1ccc(CC)o1)OC ZINC000453260323 388028978 /nfs/dbraw/zinc/02/89/78/388028978.db2.gz XTGCGNIBPFKTSK-YPMHNXCESA-N 0 3 239.359 3.308 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1CN[C@@H](C)c1nccn1C ZINC000453265693 388030010 /nfs/dbraw/zinc/03/00/10/388030010.db2.gz ASVXUKZDCFHDSQ-BFHYXJOUSA-N 0 3 249.402 3.287 20 0 BGADHN CC[C@@H]1CCCC[C@H]1CN[C@H](C)c1nccn1C ZINC000453265694 388030313 /nfs/dbraw/zinc/03/03/13/388030313.db2.gz ASVXUKZDCFHDSQ-MCIONIFRSA-N 0 3 249.402 3.287 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1CN[C@H](C)c1nccn1C ZINC000453265695 388030222 /nfs/dbraw/zinc/03/02/22/388030222.db2.gz ASVXUKZDCFHDSQ-MGPQQGTHSA-N 0 3 249.402 3.287 20 0 BGADHN CC[C@@H]1CCCC[C@H]1CN[C@@H](C)c1nccn1C ZINC000453265696 388029652 /nfs/dbraw/zinc/02/96/52/388029652.db2.gz ASVXUKZDCFHDSQ-MJBXVCDLSA-N 0 3 249.402 3.287 20 0 BGADHN CO[C@@H](C)[C@H](C)N[C@H](C)c1ccc(F)c(C)c1 ZINC000453266020 388030170 /nfs/dbraw/zinc/03/01/70/388030170.db2.gz YAKMCOJSZWGNGK-TUAOUCFPSA-N 0 3 239.334 3.208 20 0 BGADHN CO[C@@H](C)[C@@H](C)N[C@H](C)c1ccc(F)c(C)c1 ZINC000453266021 388030081 /nfs/dbraw/zinc/03/00/81/388030081.db2.gz YAKMCOJSZWGNGK-UTUOFQBUSA-N 0 3 239.334 3.208 20 0 BGADHN CC(C)=CCC[C@@H](C)N[C@H](C)c1nccn1C ZINC000453272062 386302933 /nfs/dbraw/zinc/30/29/33/386302933.db2.gz ACJQAISZBQQPPY-CHWSQXEVSA-N 0 3 235.375 3.206 20 0 BGADHN CC(C)=CCC[C@@H](C)N[C@@H](C)c1nccn1C ZINC000453272063 386303667 /nfs/dbraw/zinc/30/36/67/386303667.db2.gz ACJQAISZBQQPPY-OLZOCXBDSA-N 0 3 235.375 3.206 20 0 BGADHN CC(C)=CCC[C@H](C)N[C@H](C)c1nccn1C ZINC000453272064 386302309 /nfs/dbraw/zinc/30/23/09/386302309.db2.gz ACJQAISZBQQPPY-QWHCGFSZSA-N 0 3 235.375 3.206 20 0 BGADHN CC(C)=CCC[C@H](C)N[C@@H](C)c1nccn1C ZINC000453272075 386306461 /nfs/dbraw/zinc/30/64/61/386306461.db2.gz ACJQAISZBQQPPY-STQMWFEESA-N 0 3 235.375 3.206 20 0 BGADHN CCC1(N[C@H](C)c2cnn(C(C)C)c2)CC1 ZINC000453273914 388029768 /nfs/dbraw/zinc/02/97/68/388029768.db2.gz ABZWMPJWAXDYCE-LLVKDONJSA-N 0 3 221.348 3.057 20 0 BGADHN CCC1(N[C@@H](C)c2cnn(C(C)C)c2)CC1 ZINC000453273916 388029802 /nfs/dbraw/zinc/02/98/02/388029802.db2.gz ABZWMPJWAXDYCE-NSHDSACASA-N 0 3 221.348 3.057 20 0 BGADHN Cc1ccc([C@@H](NC[C@H]2CCCO2)C2CCC2)o1 ZINC000453277144 388031504 /nfs/dbraw/zinc/03/15/04/388031504.db2.gz APYFMEZXBUWWQQ-HIFRSBDPSA-N 0 3 249.354 3.198 20 0 BGADHN Cc1ccc([C@H](NC[C@H]2CCCO2)C2CCC2)o1 ZINC000453277146 202725097 /nfs/dbraw/zinc/72/50/97/202725097.db2.gz APYFMEZXBUWWQQ-UKRRQHHQSA-N 0 3 249.354 3.198 20 0 BGADHN CC[C@H](NC[C@@H]1CCC[C@@H]1CC)c1nccn1C ZINC000453277679 388031556 /nfs/dbraw/zinc/03/15/56/388031556.db2.gz BJVVZFSWLDFDLU-IHRRRGAJSA-N 0 3 249.402 3.287 20 0 BGADHN CC[C@H](NC[C@H]1CCC[C@H]1CC)c1nccn1C ZINC000453277681 202724192 /nfs/dbraw/zinc/72/41/92/202724192.db2.gz BJVVZFSWLDFDLU-MCIONIFRSA-N 0 3 249.402 3.287 20 0 BGADHN CC[C@H](NC[C@H]1CCC[C@@H]1CC)c1nccn1C ZINC000453277685 388031034 /nfs/dbraw/zinc/03/10/34/388031034.db2.gz BJVVZFSWLDFDLU-MJBXVCDLSA-N 0 3 249.402 3.287 20 0 BGADHN CC[C@H](NC[C@@H]1CCC[C@H]1CC)c1nccn1C ZINC000453277688 202724298 /nfs/dbraw/zinc/72/42/98/202724298.db2.gz BJVVZFSWLDFDLU-RDBSUJKOSA-N 0 3 249.402 3.287 20 0 BGADHN CC[C@@H]1CCCC[C@H]1CN[C@@H]1CCn2ccnc21 ZINC000453277831 388031914 /nfs/dbraw/zinc/03/19/14/388031914.db2.gz CCYKIUVFLWNQIS-HZSPNIEDSA-N 0 3 247.386 3.134 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1CN[C@H]1CCn2ccnc21 ZINC000453277833 388031264 /nfs/dbraw/zinc/03/12/64/388031264.db2.gz CCYKIUVFLWNQIS-MCIONIFRSA-N 0 3 247.386 3.134 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1CN[C@@H]1CCn2ccnc21 ZINC000453277835 388031549 /nfs/dbraw/zinc/03/15/49/388031549.db2.gz CCYKIUVFLWNQIS-MGPQQGTHSA-N 0 3 247.386 3.134 20 0 BGADHN CC[C@@H]1CCCC[C@H]1CN[C@H]1CCn2ccnc21 ZINC000453277836 202724839 /nfs/dbraw/zinc/72/48/39/202724839.db2.gz CCYKIUVFLWNQIS-RDBSUJKOSA-N 0 3 247.386 3.134 20 0 BGADHN CCC[C@H](N[C@@H](C)c1cnccn1)C(C)(C)C ZINC000453280152 388032716 /nfs/dbraw/zinc/03/27/16/388032716.db2.gz BMWOFGVHCUCFHA-AAEUAGOBSA-N 0 3 235.375 3.342 20 0 BGADHN CCC[C@@H](N[C@H](C)c1cnccn1)C(C)(C)C ZINC000453280154 388033304 /nfs/dbraw/zinc/03/33/04/388033304.db2.gz BMWOFGVHCUCFHA-DGCLKSJQSA-N 0 3 235.375 3.342 20 0 BGADHN CCC[C@@H](N[C@@H](C)c1cnccn1)C(C)(C)C ZINC000453280155 388033322 /nfs/dbraw/zinc/03/33/22/388033322.db2.gz BMWOFGVHCUCFHA-WCQYABFASA-N 0 3 235.375 3.342 20 0 BGADHN CCC[C@H](N[C@H](C)c1cnccn1)C(C)(C)C ZINC000453280157 388032343 /nfs/dbraw/zinc/03/23/43/388032343.db2.gz BMWOFGVHCUCFHA-YPMHNXCESA-N 0 3 235.375 3.342 20 0 BGADHN CC[C@@H]1CCC[C@@H]1CN[C@H](C)c1cc(C)on1 ZINC000453281126 388033270 /nfs/dbraw/zinc/03/32/70/388033270.db2.gz HHPREFBMLHHTQE-JHJVBQTASA-N 0 3 236.359 3.460 20 0 BGADHN CC[C@@H]1CCC[C@H]1CN[C@H](C)c1cc(C)on1 ZINC000453281128 388032891 /nfs/dbraw/zinc/03/28/91/388032891.db2.gz HHPREFBMLHHTQE-UPJWGTAASA-N 0 3 236.359 3.460 20 0 BGADHN CC[C@@H]1CCC[C@H]1CN[C@@H](C)c1cc(C)on1 ZINC000453281129 388032831 /nfs/dbraw/zinc/03/28/31/388032831.db2.gz HHPREFBMLHHTQE-XQQFMLRXSA-N 0 3 236.359 3.460 20 0 BGADHN CC[C@@H]1CCC[C@@H]1CN[C@@H](C)c1cc(C)on1 ZINC000453281130 388032699 /nfs/dbraw/zinc/03/26/99/388032699.db2.gz HHPREFBMLHHTQE-YNEHKIRRSA-N 0 3 236.359 3.460 20 0 BGADHN CC[C@@H]1CCC[C@@H]1CN[C@@H](C)c1nccnc1C ZINC000453281140 388033023 /nfs/dbraw/zinc/03/30/23/388033023.db2.gz HKDRJVCECCPKDY-BFHYXJOUSA-N 0 3 247.386 3.262 20 0 BGADHN CC[C@@H]1CCC[C@H]1CN[C@H](C)c1nccnc1C ZINC000453281142 386320513 /nfs/dbraw/zinc/32/05/13/386320513.db2.gz HKDRJVCECCPKDY-MCIONIFRSA-N 0 3 247.386 3.262 20 0 BGADHN CC[C@@H]1CCC[C@@H]1CN[C@H](C)c1nccnc1C ZINC000453281143 386319964 /nfs/dbraw/zinc/31/99/64/386319964.db2.gz HKDRJVCECCPKDY-MGPQQGTHSA-N 0 3 247.386 3.262 20 0 BGADHN CC[C@@H]1CCC[C@H]1CN[C@@H](C)c1nccnc1C ZINC000453281147 352498591 /nfs/dbraw/zinc/49/85/91/352498591.db2.gz HKDRJVCECCPKDY-MJBXVCDLSA-N 0 3 247.386 3.262 20 0 BGADHN CC(C)=CCC[C@@H](C)N[C@@H](C)c1ncc[nH]1 ZINC000453281244 488187823 /nfs/dbraw/zinc/18/78/23/488187823.db2.gz KNGNGCQDZQWCNE-NEPJUHHUSA-N 0 3 221.348 3.195 20 0 BGADHN CC(C)=CCC[C@H](C)N[C@H](C)c1ncc[nH]1 ZINC000453281246 488187874 /nfs/dbraw/zinc/18/78/74/488187874.db2.gz KNGNGCQDZQWCNE-NWDGAFQWSA-N 0 3 221.348 3.195 20 0 BGADHN CC(C)=CCC[C@H](C)N[C@@H](C)c1ncc[nH]1 ZINC000453281248 488187948 /nfs/dbraw/zinc/18/79/48/488187948.db2.gz KNGNGCQDZQWCNE-RYUDHWBXSA-N 0 3 221.348 3.195 20 0 BGADHN CC(C)=CCC[C@@H](C)N[C@H](C)c1ncc[nH]1 ZINC000453281249 488187700 /nfs/dbraw/zinc/18/77/00/488187700.db2.gz KNGNGCQDZQWCNE-VXGBXAGGSA-N 0 3 221.348 3.195 20 0 BGADHN CCC1(N[C@@H]2CCc3c2c(F)ccc3F)CC1 ZINC000453281705 388032362 /nfs/dbraw/zinc/03/23/62/388032362.db2.gz HNVOBZZDOFVVFT-GFCCVEGCSA-N 0 3 237.293 3.484 20 0 BGADHN CCC1(N[C@H]2CCc3c2c(F)ccc3F)CC1 ZINC000453281707 202725901 /nfs/dbraw/zinc/72/59/01/202725901.db2.gz HNVOBZZDOFVVFT-LBPRGKRZSA-N 0 3 237.293 3.484 20 0 BGADHN CCC[C@H](N[C@@H](C)c1ccncn1)C(C)(C)C ZINC000453284051 388032810 /nfs/dbraw/zinc/03/28/10/388032810.db2.gz GBMLOICEBQMLLT-AAEUAGOBSA-N 0 3 235.375 3.342 20 0 BGADHN CCC[C@@H](N[C@H](C)c1ccncn1)C(C)(C)C ZINC000453284057 388033001 /nfs/dbraw/zinc/03/30/01/388033001.db2.gz GBMLOICEBQMLLT-DGCLKSJQSA-N 0 3 235.375 3.342 20 0 BGADHN CCC[C@@H](N[C@@H](C)c1ccncn1)C(C)(C)C ZINC000453284059 388032710 /nfs/dbraw/zinc/03/27/10/388032710.db2.gz GBMLOICEBQMLLT-WCQYABFASA-N 0 3 235.375 3.342 20 0 BGADHN CCC[C@H](N[C@H](C)c1ccncn1)C(C)(C)C ZINC000453284062 388033216 /nfs/dbraw/zinc/03/32/16/388033216.db2.gz GBMLOICEBQMLLT-YPMHNXCESA-N 0 3 235.375 3.342 20 0 BGADHN CC[C@@H]1CCC[C@@H]1CN[C@@H](C)c1nccn1CC ZINC000453286144 388034185 /nfs/dbraw/zinc/03/41/85/388034185.db2.gz MWBSFUQOHBURNQ-BFHYXJOUSA-N 0 3 249.402 3.380 20 0 BGADHN CC[C@@H]1CCC[C@H]1CN[C@H](C)c1nccn1CC ZINC000453286146 388034691 /nfs/dbraw/zinc/03/46/91/388034691.db2.gz MWBSFUQOHBURNQ-MCIONIFRSA-N 0 3 249.402 3.380 20 0 BGADHN CC[C@@H]1CCC[C@@H]1CN[C@H](C)c1nccn1CC ZINC000453286148 388033946 /nfs/dbraw/zinc/03/39/46/388033946.db2.gz MWBSFUQOHBURNQ-MGPQQGTHSA-N 0 3 249.402 3.380 20 0 BGADHN CC[C@@H]1CCC[C@H]1CN[C@@H](C)c1nccn1CC ZINC000453286150 386335026 /nfs/dbraw/zinc/33/50/26/386335026.db2.gz MWBSFUQOHBURNQ-MJBXVCDLSA-N 0 3 249.402 3.380 20 0 BGADHN CCn1ccnc1CN[C@H](C)C1C(C)(C)C1(C)C ZINC000453287691 386343681 /nfs/dbraw/zinc/34/36/81/386343681.db2.gz KLGVVNPGWNFEIU-LLVKDONJSA-N 0 3 249.402 3.063 20 0 BGADHN CCn1ccnc1CN[C@@H](C)C1C(C)(C)C1(C)C ZINC000453287693 219886870 /nfs/dbraw/zinc/88/68/70/219886870.db2.gz KLGVVNPGWNFEIU-NSHDSACASA-N 0 3 249.402 3.063 20 0 BGADHN CCC1(N[C@@H](C)c2cc(C)c(C)o2)CC1 ZINC000453289824 388036364 /nfs/dbraw/zinc/03/63/64/388036364.db2.gz MJYCYQOKKBALRG-JTQLQIEISA-N 0 3 207.317 3.490 20 0 BGADHN CCC1(N[C@H](C)c2cc(C)c(C)o2)CC1 ZINC000453289826 388036316 /nfs/dbraw/zinc/03/63/16/388036316.db2.gz MJYCYQOKKBALRG-SNVBAGLBSA-N 0 3 207.317 3.490 20 0 BGADHN CCC[C@@H](C)[C@@H](CC)NCc1nccn1CC ZINC000453290377 388035629 /nfs/dbraw/zinc/03/56/29/388035629.db2.gz OWEONLGUYKGEQY-CHWSQXEVSA-N 0 3 237.391 3.207 20 0 BGADHN CCC[C@@H](C)[C@H](CC)NCc1nccn1CC ZINC000453290379 388036341 /nfs/dbraw/zinc/03/63/41/388036341.db2.gz OWEONLGUYKGEQY-OLZOCXBDSA-N 0 3 237.391 3.207 20 0 BGADHN CCC[C@H](C)[C@@H](CC)NCc1nccn1CC ZINC000453290383 388036321 /nfs/dbraw/zinc/03/63/21/388036321.db2.gz OWEONLGUYKGEQY-QWHCGFSZSA-N 0 3 237.391 3.207 20 0 BGADHN CC[C@H](NCc1ccnc(C)c1)c1ccncc1 ZINC000453290808 388036349 /nfs/dbraw/zinc/03/63/49/388036349.db2.gz NDVMBJNMRQOKIH-HNNXBMFYSA-N 0 3 241.338 3.026 20 0 BGADHN CC[C@@H](NCc1ccnc(C)c1)c1ccncc1 ZINC000453290809 388035153 /nfs/dbraw/zinc/03/51/53/388035153.db2.gz NDVMBJNMRQOKIH-OAHLLOKOSA-N 0 3 241.338 3.026 20 0 BGADHN CCC[C@H](C)[C@H](CC)NCc1nccn1CC ZINC000453291246 388035827 /nfs/dbraw/zinc/03/58/27/388035827.db2.gz OWEONLGUYKGEQY-STQMWFEESA-N 0 3 237.391 3.207 20 0 BGADHN CC(C)=CCC[C@@H](C)N[C@H](C)c1ccncn1 ZINC000453291554 388035698 /nfs/dbraw/zinc/03/56/98/388035698.db2.gz UVZCXGGBIFCVJB-CHWSQXEVSA-N 0 3 233.359 3.262 20 0 BGADHN CC(C)=CCC[C@@H](C)N[C@@H](C)c1ccncn1 ZINC000453291555 388035974 /nfs/dbraw/zinc/03/59/74/388035974.db2.gz UVZCXGGBIFCVJB-OLZOCXBDSA-N 0 3 233.359 3.262 20 0 BGADHN CC(C)=CCC[C@H](C)N[C@H](C)c1ccncn1 ZINC000453291556 388035684 /nfs/dbraw/zinc/03/56/84/388035684.db2.gz UVZCXGGBIFCVJB-QWHCGFSZSA-N 0 3 233.359 3.262 20 0 BGADHN CC(C)=CCC[C@H](C)N[C@@H](C)c1ccncn1 ZINC000453291557 388035389 /nfs/dbraw/zinc/03/53/89/388035389.db2.gz UVZCXGGBIFCVJB-STQMWFEESA-N 0 3 233.359 3.262 20 0 BGADHN CCc1ccc([C@@H](C)NC[C@@](C)(CC)OC)o1 ZINC000453291885 388035544 /nfs/dbraw/zinc/03/55/44/388035544.db2.gz BZUNXBHCOWKOLV-BXUZGUMPSA-N 0 3 239.359 3.308 20 0 BGADHN CCc1ccc([C@H](C)NC[C@](C)(CC)OC)o1 ZINC000453291887 388036176 /nfs/dbraw/zinc/03/61/76/388036176.db2.gz BZUNXBHCOWKOLV-FZMZJTMJSA-N 0 3 239.359 3.308 20 0 BGADHN CCc1ccc([C@@H](C)NC[C@](C)(CC)OC)o1 ZINC000453291889 386355371 /nfs/dbraw/zinc/35/53/71/386355371.db2.gz BZUNXBHCOWKOLV-RISCZKNCSA-N 0 3 239.359 3.308 20 0 BGADHN CCc1ccc([C@H](C)NC[C@@](C)(CC)OC)o1 ZINC000453291901 386356206 /nfs/dbraw/zinc/35/62/06/386356206.db2.gz BZUNXBHCOWKOLV-SMDDNHRTSA-N 0 3 239.359 3.308 20 0 BGADHN CC[C@@H]1CCC[C@@H]1CN[C@@H]1C[C@@H](C)n2ccnc21 ZINC000453292980 388037169 /nfs/dbraw/zinc/03/71/69/388037169.db2.gz UXNDICDLSKWJKY-AAVRWANBSA-N 0 3 247.386 3.305 20 0 BGADHN CC[C@@H]1CCC[C@@H]1CN[C@H]1C[C@H](C)n2ccnc21 ZINC000453292983 388036821 /nfs/dbraw/zinc/03/68/21/388036821.db2.gz UXNDICDLSKWJKY-DGAVXFQQSA-N 0 3 247.386 3.305 20 0 BGADHN CC[C@@H]1CCC[C@@H]1CN[C@@H]1C[C@H](C)n2ccnc21 ZINC000453292985 388037002 /nfs/dbraw/zinc/03/70/02/388037002.db2.gz UXNDICDLSKWJKY-REWJHTLYSA-N 0 3 247.386 3.305 20 0 BGADHN CC[C@@H]1CCC[C@@H]1CN[C@H]1C[C@@H](C)n2ccnc21 ZINC000453292988 388036642 /nfs/dbraw/zinc/03/66/42/388036642.db2.gz UXNDICDLSKWJKY-SYQHCUMBSA-N 0 3 247.386 3.305 20 0 BGADHN CC[C@@H]1CCC[C@@H]1CN[C@@H](C)c1cc(C)n(C)n1 ZINC000453294723 388037245 /nfs/dbraw/zinc/03/72/45/388037245.db2.gz WXXCKRIOMRLWKN-BFHYXJOUSA-N 0 3 249.402 3.205 20 0 BGADHN CC[C@@H]1CCC[C@H]1CN[C@H](C)c1cc(C)n(C)n1 ZINC000453294726 388036702 /nfs/dbraw/zinc/03/67/02/388036702.db2.gz WXXCKRIOMRLWKN-MCIONIFRSA-N 0 3 249.402 3.205 20 0 BGADHN CC[C@@H]1CCC[C@@H]1CN[C@H](C)c1cc(C)n(C)n1 ZINC000453294728 388036784 /nfs/dbraw/zinc/03/67/84/388036784.db2.gz WXXCKRIOMRLWKN-MGPQQGTHSA-N 0 3 249.402 3.205 20 0 BGADHN CC[C@@H]1CCC[C@H]1CN[C@@H](C)c1cc(C)n(C)n1 ZINC000453294731 388037374 /nfs/dbraw/zinc/03/73/74/388037374.db2.gz WXXCKRIOMRLWKN-MJBXVCDLSA-N 0 3 249.402 3.205 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1CN[C@@H](C)c1ccncn1 ZINC000453295554 388037099 /nfs/dbraw/zinc/03/70/99/388037099.db2.gz RLJLKYHWYNJHAI-BFHYXJOUSA-N 0 3 247.386 3.344 20 0 BGADHN CC[C@@H]1CCCC[C@H]1CN[C@H](C)c1ccncn1 ZINC000453295556 388036799 /nfs/dbraw/zinc/03/67/99/388036799.db2.gz RLJLKYHWYNJHAI-MCIONIFRSA-N 0 3 247.386 3.344 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1CN[C@H](C)c1ccncn1 ZINC000453295559 388036899 /nfs/dbraw/zinc/03/68/99/388036899.db2.gz RLJLKYHWYNJHAI-MGPQQGTHSA-N 0 3 247.386 3.344 20 0 BGADHN CC[C@@H]1CCCC[C@H]1CN[C@@H](C)c1ccncn1 ZINC000453295562 388036849 /nfs/dbraw/zinc/03/68/49/388036849.db2.gz RLJLKYHWYNJHAI-MJBXVCDLSA-N 0 3 247.386 3.344 20 0 BGADHN CC[C@](C)(CN[C@H](C)c1cc(C)c(C)o1)OC ZINC000453296303 388037444 /nfs/dbraw/zinc/03/74/44/388037444.db2.gz GQQACVMFCKXUQK-BXUZGUMPSA-N 0 3 239.359 3.362 20 0 BGADHN CC[C@@](C)(CN[C@@H](C)c1cc(C)c(C)o1)OC ZINC000453296308 388037342 /nfs/dbraw/zinc/03/73/42/388037342.db2.gz GQQACVMFCKXUQK-FZMZJTMJSA-N 0 3 239.359 3.362 20 0 BGADHN CC[C@@](C)(CN[C@H](C)c1cc(C)c(C)o1)OC ZINC000453296309 388036623 /nfs/dbraw/zinc/03/66/23/388036623.db2.gz GQQACVMFCKXUQK-RISCZKNCSA-N 0 3 239.359 3.362 20 0 BGADHN CC[C@](C)(CN[C@@H](C)c1cc(C)c(C)o1)OC ZINC000453296311 388036545 /nfs/dbraw/zinc/03/65/45/388036545.db2.gz GQQACVMFCKXUQK-SMDDNHRTSA-N 0 3 239.359 3.362 20 0 BGADHN CC[C@H](NC[C@@H]1CCC[C@@H]1CC)c1ccn(C)n1 ZINC000453296616 388036971 /nfs/dbraw/zinc/03/69/71/388036971.db2.gz YYDYMWWZRZGTRL-IHRRRGAJSA-N 0 3 249.402 3.287 20 0 BGADHN CC[C@H](NC[C@H]1CCC[C@H]1CC)c1ccn(C)n1 ZINC000453296618 388037405 /nfs/dbraw/zinc/03/74/05/388037405.db2.gz YYDYMWWZRZGTRL-MCIONIFRSA-N 0 3 249.402 3.287 20 0 BGADHN CC[C@H](NC[C@H]1CCC[C@@H]1CC)c1ccn(C)n1 ZINC000453296620 386364461 /nfs/dbraw/zinc/36/44/61/386364461.db2.gz YYDYMWWZRZGTRL-MJBXVCDLSA-N 0 3 249.402 3.287 20 0 BGADHN CC[C@H](NC[C@@H]1CCC[C@H]1CC)c1ccn(C)n1 ZINC000453296628 386365908 /nfs/dbraw/zinc/36/59/08/386365908.db2.gz YYDYMWWZRZGTRL-RDBSUJKOSA-N 0 3 249.402 3.287 20 0 BGADHN CCc1cccnc1[C@@H](C)NC1(CC)CC1 ZINC000453299052 388035936 /nfs/dbraw/zinc/03/59/36/388035936.db2.gz UCVKZNBIUNRSKM-LLVKDONJSA-N 0 3 218.344 3.237 20 0 BGADHN CCc1cccnc1[C@H](C)NC1(CC)CC1 ZINC000453299053 388036333 /nfs/dbraw/zinc/03/63/33/388036333.db2.gz UCVKZNBIUNRSKM-NSHDSACASA-N 0 3 218.344 3.237 20 0 BGADHN CCC[C@H](N[C@H](C)c1nccn1C)C(C)(C)C ZINC000453299154 388037895 /nfs/dbraw/zinc/03/78/95/388037895.db2.gz UCTUTBMEQRGAHH-NEPJUHHUSA-N 0 3 237.391 3.286 20 0 BGADHN CCC[C@@H](N[C@@H](C)c1nccn1C)C(C)(C)C ZINC000453299155 388037872 /nfs/dbraw/zinc/03/78/72/388037872.db2.gz UCTUTBMEQRGAHH-NWDGAFQWSA-N 0 3 237.391 3.286 20 0 BGADHN CCC[C@H](N[C@@H](C)c1nccn1C)C(C)(C)C ZINC000453299156 388038475 /nfs/dbraw/zinc/03/84/75/388038475.db2.gz UCTUTBMEQRGAHH-RYUDHWBXSA-N 0 3 237.391 3.286 20 0 BGADHN CCC[C@@H](N[C@H](C)c1nccn1C)C(C)(C)C ZINC000453299157 388038419 /nfs/dbraw/zinc/03/84/19/388038419.db2.gz UCTUTBMEQRGAHH-VXGBXAGGSA-N 0 3 237.391 3.286 20 0 BGADHN CCC1(N[C@H](C)c2sccc2OC)CC1 ZINC000453300752 388038961 /nfs/dbraw/zinc/03/89/61/388038961.db2.gz WPMVGRMHSDLHCO-SECBINFHSA-N 0 3 225.357 3.350 20 0 BGADHN CCC1(N[C@@H](C)c2sccc2OC)CC1 ZINC000453300753 202731680 /nfs/dbraw/zinc/73/16/80/202731680.db2.gz WPMVGRMHSDLHCO-VIFPVBQESA-N 0 3 225.357 3.350 20 0 BGADHN CCC[C@@H](N[C@H](C)c1ncc[nH]1)C(C)(C)C ZINC000453301204 488188676 /nfs/dbraw/zinc/18/86/76/488188676.db2.gz WZPBLHZRSRGHNL-GHMZBOCLSA-N 0 3 223.364 3.275 20 0 BGADHN CCC[C@H](N[C@H](C)c1ncc[nH]1)C(C)(C)C ZINC000453301205 488188697 /nfs/dbraw/zinc/18/86/97/488188697.db2.gz WZPBLHZRSRGHNL-MNOVXSKESA-N 0 3 223.364 3.275 20 0 BGADHN CCC[C@H](N[C@@H](C)c1ncc[nH]1)C(C)(C)C ZINC000453301206 488188356 /nfs/dbraw/zinc/18/83/56/488188356.db2.gz WZPBLHZRSRGHNL-QWRGUYRKSA-N 0 3 223.364 3.275 20 0 BGADHN CCC[C@@H](N[C@@H](C)c1ncc[nH]1)C(C)(C)C ZINC000453301207 488188371 /nfs/dbraw/zinc/18/83/71/488188371.db2.gz WZPBLHZRSRGHNL-WDEREUQCSA-N 0 3 223.364 3.275 20 0 BGADHN CCC1(N[C@H](C)c2cnn(C(C)C)c2C)CC1 ZINC000453301282 388038741 /nfs/dbraw/zinc/03/87/41/388038741.db2.gz XMRQKBBSTWECOI-LLVKDONJSA-N 0 3 235.375 3.366 20 0 BGADHN CCC1(N[C@@H](C)c2cnn(C(C)C)c2C)CC1 ZINC000453301283 388038972 /nfs/dbraw/zinc/03/89/72/388038972.db2.gz XMRQKBBSTWECOI-NSHDSACASA-N 0 3 235.375 3.366 20 0 BGADHN CC[C@@H](NCC(C)(C)C1CCC1)c1nccn1C ZINC000453302728 388039832 /nfs/dbraw/zinc/03/98/32/388039832.db2.gz AODPUDYQBWBOQB-CYBMUJFWSA-N 0 3 249.402 3.287 20 0 BGADHN CC[C@H](NCC(C)(C)C1CCC1)c1nccn1C ZINC000453302729 388040113 /nfs/dbraw/zinc/04/01/13/388040113.db2.gz AODPUDYQBWBOQB-ZDUSSCGKSA-N 0 3 249.402 3.287 20 0 BGADHN Cc1cc([C@@H](C)NCC(C)(C)C2CCC2)nn1C ZINC000453302749 388039721 /nfs/dbraw/zinc/03/97/21/388039721.db2.gz ASYPWHOMFXEFEA-GFCCVEGCSA-N 0 3 249.402 3.205 20 0 BGADHN Cc1cc([C@H](C)NCC(C)(C)C2CCC2)nn1C ZINC000453302750 388038033 /nfs/dbraw/zinc/03/80/33/388038033.db2.gz ASYPWHOMFXEFEA-LBPRGKRZSA-N 0 3 249.402 3.205 20 0 BGADHN CC[C@@H]1CC[C@H](C)C[C@H]1NCc1nccn1CC ZINC000453303196 386377242 /nfs/dbraw/zinc/37/72/42/386377242.db2.gz AHZVKFIBFXNYIF-BFHYXJOUSA-N 0 3 249.402 3.207 20 0 BGADHN CC[C@@H]1CC[C@@H](C)C[C@@H]1NCc1nccn1CC ZINC000453303198 386376800 /nfs/dbraw/zinc/37/68/00/386376800.db2.gz AHZVKFIBFXNYIF-MCIONIFRSA-N 0 3 249.402 3.207 20 0 BGADHN CC[C@@H]1CC[C@@H](C)C[C@H]1NCc1nccn1CC ZINC000453303200 386375767 /nfs/dbraw/zinc/37/57/67/386375767.db2.gz AHZVKFIBFXNYIF-MGPQQGTHSA-N 0 3 249.402 3.207 20 0 BGADHN CC[C@@H]1CC[C@H](C)C[C@@H]1NCc1nccn1CC ZINC000453303203 386377051 /nfs/dbraw/zinc/37/70/51/386377051.db2.gz AHZVKFIBFXNYIF-MJBXVCDLSA-N 0 3 249.402 3.207 20 0 BGADHN CC/C=C\CN[C@H]1CCCc2c(O)cccc21 ZINC000453303230 388039464 /nfs/dbraw/zinc/03/94/64/388039464.db2.gz AKJSLATZDACACM-NQHOJNORSA-N 0 3 231.339 3.325 20 0 BGADHN CC/C=C/CN[C@@H]1CCCc2c(O)cccc21 ZINC000453303231 388039784 /nfs/dbraw/zinc/03/97/84/388039784.db2.gz AKJSLATZDACACM-RDFMZFSFSA-N 0 3 231.339 3.325 20 0 BGADHN CC/C=C\CN[C@@H]1CCCc2c(O)cccc21 ZINC000453303232 388039672 /nfs/dbraw/zinc/03/96/72/388039672.db2.gz AKJSLATZDACACM-VQTKUKTRSA-N 0 3 231.339 3.325 20 0 BGADHN CC/C=C/CN[C@H]1CCCc2c(O)cccc21 ZINC000453303234 388039396 /nfs/dbraw/zinc/03/93/96/388039396.db2.gz AKJSLATZDACACM-XGACYXMMSA-N 0 3 231.339 3.325 20 0 BGADHN CC/C=C\CN[C@@H](C)c1ccc(NC(C)=O)cc1 ZINC000453305136 388040155 /nfs/dbraw/zinc/04/01/55/388040155.db2.gz BLJTUOZRVXAYCX-FJOGCWAESA-N 0 3 246.354 3.262 20 0 BGADHN CC/C=C\CN[C@H](C)c1ccc(NC(C)=O)cc1 ZINC000453305137 386388091 /nfs/dbraw/zinc/38/80/91/386388091.db2.gz BLJTUOZRVXAYCX-FOQNGQEVSA-N 0 3 246.354 3.262 20 0 BGADHN Cc1cc([C@@H](C)NCC2CCCCCC2)nn1C ZINC000453306390 388041101 /nfs/dbraw/zinc/04/11/01/388041101.db2.gz JDGYPGBDTAXABP-CYBMUJFWSA-N 0 3 249.402 3.350 20 0 BGADHN Cc1cc([C@H](C)NCC2CCCCCC2)nn1C ZINC000453306391 388041296 /nfs/dbraw/zinc/04/12/96/388041296.db2.gz JDGYPGBDTAXABP-ZDUSSCGKSA-N 0 3 249.402 3.350 20 0 BGADHN CC/C=C\CN[C@@H](C)c1ccc(OC)c(O)c1 ZINC000453306726 388041028 /nfs/dbraw/zinc/04/10/28/388041028.db2.gz CNGQINGYRJOKRV-GZTOBOFZSA-N 0 3 235.327 3.018 20 0 BGADHN CC/C=C\CN[C@H](C)c1ccc(OC)c(O)c1 ZINC000453306728 388040955 /nfs/dbraw/zinc/04/09/55/388040955.db2.gz CNGQINGYRJOKRV-ISALQUGTSA-N 0 3 235.327 3.018 20 0 BGADHN CC/C=C/CN[C@H](C)c1ccc(OC)c(O)c1 ZINC000453306729 388041323 /nfs/dbraw/zinc/04/13/23/388041323.db2.gz CNGQINGYRJOKRV-MVIFTORASA-N 0 3 235.327 3.018 20 0 BGADHN CC/C=C/CN[C@@H](C)c1ccc(OC)c(O)c1 ZINC000453306731 388040900 /nfs/dbraw/zinc/04/09/00/388040900.db2.gz CNGQINGYRJOKRV-QRGHLMKCSA-N 0 3 235.327 3.018 20 0 BGADHN CC[C@H](NCC1CCCCCC1)c1nccn1C ZINC000453306907 388040596 /nfs/dbraw/zinc/04/05/96/388040596.db2.gz KIXWQSQAGBEMKM-AWEZNQCLSA-N 0 3 249.402 3.431 20 0 BGADHN CC[C@@H](NCC1CCCCCC1)c1nccn1C ZINC000453306908 388040881 /nfs/dbraw/zinc/04/08/81/388040881.db2.gz KIXWQSQAGBEMKM-CQSZACIVSA-N 0 3 249.402 3.431 20 0 BGADHN CC/C=C\CN[C@@H]1CCc2c1ccc(OC)c2F ZINC000453307562 386389830 /nfs/dbraw/zinc/38/98/30/386389830.db2.gz DBRRUIJJSPVADK-DSYXLKISSA-N 0 3 249.329 3.377 20 0 BGADHN CC/C=C/CN[C@H]1CCc2c1ccc(OC)c2F ZINC000453307563 386389123 /nfs/dbraw/zinc/38/91/23/386389123.db2.gz DBRRUIJJSPVADK-IHVVCDCBSA-N 0 3 249.329 3.377 20 0 BGADHN CC/C=C/CN[C@@H]1CCc2c1ccc(OC)c2F ZINC000453307568 386389618 /nfs/dbraw/zinc/38/96/18/386389618.db2.gz DBRRUIJJSPVADK-MUBLQREKSA-N 0 3 249.329 3.377 20 0 BGADHN CC/C=C\CN[C@H]1CCc2c1ccc(OC)c2F ZINC000453307573 528802304 /nfs/dbraw/zinc/80/23/04/528802304.db2.gz DBRRUIJJSPVADK-ZFDPJTLLSA-N 0 3 249.329 3.377 20 0 BGADHN CC[C@H](NCC1CCCCCC1)c1ccn(C)n1 ZINC000453308780 388040848 /nfs/dbraw/zinc/04/08/48/388040848.db2.gz OJRTZCNGOSMUBP-AWEZNQCLSA-N 0 3 249.402 3.431 20 0 BGADHN CC[C@@H](NCC1CCCCCC1)c1ccn(C)n1 ZINC000453308781 388041455 /nfs/dbraw/zinc/04/14/55/388041455.db2.gz OJRTZCNGOSMUBP-CQSZACIVSA-N 0 3 249.402 3.431 20 0 BGADHN CC/C=C/CN[C@@H](CCC)c1ccccn1 ZINC000453310025 388042239 /nfs/dbraw/zinc/04/22/39/388042239.db2.gz FLUBIFGOVWAUIY-IYNGYCSASA-N 0 3 218.344 3.479 20 0 BGADHN CC/C=C\CN[C@H](CCC)c1ccccn1 ZINC000453310027 388042297 /nfs/dbraw/zinc/04/22/97/388042297.db2.gz FLUBIFGOVWAUIY-SCXUMTSISA-N 0 3 218.344 3.479 20 0 BGADHN CC/C=C\CN[C@@H](CCC)c1ccccn1 ZINC000453310028 388042368 /nfs/dbraw/zinc/04/23/68/388042368.db2.gz FLUBIFGOVWAUIY-VGVVRCBHSA-N 0 3 218.344 3.479 20 0 BGADHN CC/C=C/CN[C@H](CCC)c1ccccn1 ZINC000453310030 388042529 /nfs/dbraw/zinc/04/25/29/388042529.db2.gz FLUBIFGOVWAUIY-VUDGCMKMSA-N 0 3 218.344 3.479 20 0 BGADHN CC/C=C\CN[C@@H](C)c1cnn(C(C)C)c1 ZINC000453310069 388042729 /nfs/dbraw/zinc/04/27/29/388042729.db2.gz FOOJNUNGQSUGON-DGMVEKRQSA-N 0 3 221.348 3.081 20 0 BGADHN CC/C=C\CN[C@H](C)c1cnn(C(C)C)c1 ZINC000453310072 388042693 /nfs/dbraw/zinc/04/26/93/388042693.db2.gz FOOJNUNGQSUGON-ZHRWSRJISA-N 0 3 221.348 3.081 20 0 BGADHN CC/C=C/CN[C@@H]1CCc2cc(F)c(OC)cc21 ZINC000453313490 388043227 /nfs/dbraw/zinc/04/32/27/388043227.db2.gz HRLWUEHTZXRYKF-ISZGNANSSA-N 0 3 249.329 3.377 20 0 BGADHN CC/C=C/CN[C@H]1CCc2cc(F)c(OC)cc21 ZINC000453313491 388043197 /nfs/dbraw/zinc/04/31/97/388043197.db2.gz HRLWUEHTZXRYKF-NNTXTVRGSA-N 0 3 249.329 3.377 20 0 BGADHN CC/C=C\CN[C@H]1CCc2cc(F)c(OC)cc21 ZINC000453313492 388043245 /nfs/dbraw/zinc/04/32/45/388043245.db2.gz HRLWUEHTZXRYKF-WSNITJDQSA-N 0 3 249.329 3.377 20 0 BGADHN CC/C=C\CN[C@@H]1CCc2cc(F)c(OC)cc21 ZINC000453313493 388044073 /nfs/dbraw/zinc/04/40/73/388044073.db2.gz HRLWUEHTZXRYKF-ZRUQZJFASA-N 0 3 249.329 3.377 20 0 BGADHN CC[C@@H](NCC(C)(C)C1CCC1)c1ccn(C)n1 ZINC000453313785 388043581 /nfs/dbraw/zinc/04/35/81/388043581.db2.gz WYSUSEVYCLEABW-CYBMUJFWSA-N 0 3 249.402 3.287 20 0 BGADHN CC[C@H](NCC(C)(C)C1CCC1)c1ccn(C)n1 ZINC000453313786 388043283 /nfs/dbraw/zinc/04/32/83/388043283.db2.gz WYSUSEVYCLEABW-ZDUSSCGKSA-N 0 3 249.402 3.287 20 0 BGADHN CC[C@@H]1C[C@H]1CN[C@@H](C)c1ccc(Cl)cn1 ZINC000453314171 388043769 /nfs/dbraw/zinc/04/37/69/388043769.db2.gz XTDLRMUPNXPZAJ-AXFHLTTASA-N 0 3 238.762 3.432 20 0 BGADHN CC[C@@H]1C[C@H]1CN[C@H](C)c1ccc(Cl)cn1 ZINC000453314172 388044138 /nfs/dbraw/zinc/04/41/38/388044138.db2.gz XTDLRMUPNXPZAJ-MXWKQRLJSA-N 0 3 238.762 3.432 20 0 BGADHN CCn1ccnc1[C@@H](C)NCC(C)(C)C1CCC1 ZINC000453314842 388043863 /nfs/dbraw/zinc/04/38/63/388043863.db2.gz YMGQHLKWQRZEKY-GFCCVEGCSA-N 0 3 249.402 3.380 20 0 BGADHN CCn1ccnc1[C@H](C)NCC(C)(C)C1CCC1 ZINC000453314843 388044129 /nfs/dbraw/zinc/04/41/29/388044129.db2.gz YMGQHLKWQRZEKY-LBPRGKRZSA-N 0 3 249.402 3.380 20 0 BGADHN CC/C=C\CN[C@@H]1CCCc2nc(C)sc21 ZINC000453315189 386399847 /nfs/dbraw/zinc/39/98/47/386399847.db2.gz IXTZGMARTDCWBK-DOGVGXBMSA-N 0 3 236.384 3.385 20 0 BGADHN CC/C=C\CN[C@H]1CCCc2nc(C)sc21 ZINC000453315191 386400079 /nfs/dbraw/zinc/40/00/79/386400079.db2.gz IXTZGMARTDCWBK-WYGGZMRJSA-N 0 3 236.384 3.385 20 0 BGADHN C[C@@H](NC[C@@H]1CCOC2(CCC2)C1)c1ccco1 ZINC000453315581 388043469 /nfs/dbraw/zinc/04/34/69/388043469.db2.gz JJWXWMUMWCMKTJ-CHWSQXEVSA-N 0 3 249.354 3.280 20 0 BGADHN C[C@@H](NC[C@H]1CCOC2(CCC2)C1)c1ccco1 ZINC000453315583 388043872 /nfs/dbraw/zinc/04/38/72/388043872.db2.gz JJWXWMUMWCMKTJ-OLZOCXBDSA-N 0 3 249.354 3.280 20 0 BGADHN C[C@H](NC[C@@H]1CCOC2(CCC2)C1)c1ccco1 ZINC000453315586 388043509 /nfs/dbraw/zinc/04/35/09/388043509.db2.gz JJWXWMUMWCMKTJ-QWHCGFSZSA-N 0 3 249.354 3.280 20 0 BGADHN C[C@H](NC[C@H]1CCOC2(CCC2)C1)c1ccco1 ZINC000453315589 388044202 /nfs/dbraw/zinc/04/42/02/388044202.db2.gz JJWXWMUMWCMKTJ-STQMWFEESA-N 0 3 249.354 3.280 20 0 BGADHN Cc1cc([C@@H](C)NCC(C)(C)C2CCC2)no1 ZINC000453315641 388043315 /nfs/dbraw/zinc/04/33/15/388043315.db2.gz ZYPOLMNYQAYGIN-LLVKDONJSA-N 0 3 236.359 3.460 20 0 BGADHN Cc1cc([C@H](C)NCC(C)(C)C2CCC2)no1 ZINC000453315642 388043335 /nfs/dbraw/zinc/04/33/35/388043335.db2.gz ZYPOLMNYQAYGIN-NSHDSACASA-N 0 3 236.359 3.460 20 0 BGADHN CC/C=C\CN[C@H](c1cncc(F)c1)C1CC1 ZINC000453319393 388045378 /nfs/dbraw/zinc/04/53/78/388045378.db2.gz MBHZSJUYEZDDEO-NQHOJNORSA-N 0 3 234.318 3.228 20 0 BGADHN CC/C=C\CN[C@@H](c1cncc(F)c1)C1CC1 ZINC000453319395 388044970 /nfs/dbraw/zinc/04/49/70/388044970.db2.gz MBHZSJUYEZDDEO-VQTKUKTRSA-N 0 3 234.318 3.228 20 0 BGADHN CC/C=C\CN[C@H](C)c1ccccc1N(C)C ZINC000453319489 388045673 /nfs/dbraw/zinc/04/56/73/388045673.db2.gz MKHNGLRSAHIURC-OYVUYXNMSA-N 0 3 232.371 3.369 20 0 BGADHN CC/C=C/CN[C@@H](C)c1ccccc1N(C)C ZINC000453319490 388045153 /nfs/dbraw/zinc/04/51/53/388045153.db2.gz MKHNGLRSAHIURC-PPGNKHEKSA-N 0 3 232.371 3.369 20 0 BGADHN CC/C=C\CN[C@@H](C)c1ccccc1N(C)C ZINC000453319491 388045020 /nfs/dbraw/zinc/04/50/20/388045020.db2.gz MKHNGLRSAHIURC-XURPKSDJSA-N 0 3 232.371 3.369 20 0 BGADHN CC/C=C/CN[C@H](C)c1ccccc1N(C)C ZINC000453319492 388045102 /nfs/dbraw/zinc/04/51/02/388045102.db2.gz MKHNGLRSAHIURC-YSKGHYERSA-N 0 3 232.371 3.369 20 0 BGADHN CC/C=C\CN[C@@H](C)c1cncc(C)c1 ZINC000453320393 388039915 /nfs/dbraw/zinc/03/99/15/388039915.db2.gz NEWJNRBTYQEHDE-FJOGCWAESA-N 0 3 204.317 3.007 20 0 BGADHN CC/C=C\CN[C@H](C)c1cncc(C)c1 ZINC000453320395 388039625 /nfs/dbraw/zinc/03/96/25/388039625.db2.gz NEWJNRBTYQEHDE-FOQNGQEVSA-N 0 3 204.317 3.007 20 0 BGADHN CCCC[C@@H](C)[C@@H](C)NCc1nccn1CC ZINC000453320569 388045110 /nfs/dbraw/zinc/04/51/10/388045110.db2.gz NIRVDSXTNBWMHN-CHWSQXEVSA-N 0 3 237.391 3.207 20 0 BGADHN CCCC[C@@H](C)[C@H](C)NCc1nccn1CC ZINC000453320570 388045199 /nfs/dbraw/zinc/04/51/99/388045199.db2.gz NIRVDSXTNBWMHN-OLZOCXBDSA-N 0 3 237.391 3.207 20 0 BGADHN CCCC[C@H](C)[C@@H](C)NCc1nccn1CC ZINC000453320573 388045158 /nfs/dbraw/zinc/04/51/58/388045158.db2.gz NIRVDSXTNBWMHN-QWHCGFSZSA-N 0 3 237.391 3.207 20 0 BGADHN CCCC[C@H](C)[C@H](C)NCc1nccn1CC ZINC000453320575 388045262 /nfs/dbraw/zinc/04/52/62/388045262.db2.gz NIRVDSXTNBWMHN-STQMWFEESA-N 0 3 237.391 3.207 20 0 BGADHN CC/C=C\CN[C@@H](C)c1cnccc1C ZINC000453320707 388044829 /nfs/dbraw/zinc/04/48/29/388044829.db2.gz NMQOUBDXZREIEE-FJOGCWAESA-N 0 3 204.317 3.007 20 0 BGADHN CC/C=C\CN[C@H](C)c1cnccc1C ZINC000453320711 388044837 /nfs/dbraw/zinc/04/48/37/388044837.db2.gz NMQOUBDXZREIEE-FOQNGQEVSA-N 0 3 204.317 3.007 20 0 BGADHN CC[C@@H](NCc1cc(C)cs1)c1cnn(C)c1 ZINC000453320808 388044780 /nfs/dbraw/zinc/04/47/80/388044780.db2.gz PHQYDXMPCRCWHO-CYBMUJFWSA-N 0 3 249.383 3.031 20 0 BGADHN CC[C@H](NCc1cc(C)cs1)c1cnn(C)c1 ZINC000453320809 388044790 /nfs/dbraw/zinc/04/47/90/388044790.db2.gz PHQYDXMPCRCWHO-ZDUSSCGKSA-N 0 3 249.383 3.031 20 0 BGADHN CC/C=C/CN[C@@H]1CCc2c1cccc2OC ZINC000453321703 388046151 /nfs/dbraw/zinc/04/61/51/388046151.db2.gz OLRARWDXJOLSOU-ISZGNANSSA-N 0 3 231.339 3.238 20 0 BGADHN CC/C=C/CN[C@H]1CCc2c1cccc2OC ZINC000453321704 388046633 /nfs/dbraw/zinc/04/66/33/388046633.db2.gz OLRARWDXJOLSOU-NNTXTVRGSA-N 0 3 231.339 3.238 20 0 BGADHN CC/C=C\CN[C@H]1CCc2c1cccc2OC ZINC000453321705 388046835 /nfs/dbraw/zinc/04/68/35/388046835.db2.gz OLRARWDXJOLSOU-WSNITJDQSA-N 0 3 231.339 3.238 20 0 BGADHN CC/C=C\CN[C@@H]1CCc2c1cccc2OC ZINC000453321706 388046713 /nfs/dbraw/zinc/04/67/13/388046713.db2.gz OLRARWDXJOLSOU-ZRUQZJFASA-N 0 3 231.339 3.238 20 0 BGADHN CC/C=C\CN[C@@H](c1ccc(F)cn1)C(C)C ZINC000453322366 388046655 /nfs/dbraw/zinc/04/66/55/388046655.db2.gz PIBDNNITWGWZBW-GEXIGZQTSA-N 0 3 236.334 3.474 20 0 BGADHN CC/C=C/CN[C@H](c1ccc(F)cn1)C(C)C ZINC000453322367 388046700 /nfs/dbraw/zinc/04/67/00/388046700.db2.gz PIBDNNITWGWZBW-GJBLVYBDSA-N 0 3 236.334 3.474 20 0 BGADHN CC/C=C\CN[C@H](c1ccc(F)cn1)C(C)C ZINC000453322368 388046585 /nfs/dbraw/zinc/04/65/85/388046585.db2.gz PIBDNNITWGWZBW-GXMNPTEKSA-N 0 3 236.334 3.474 20 0 BGADHN CC/C=C/CN[C@@H](c1ccc(F)cn1)C(C)C ZINC000453322369 388046493 /nfs/dbraw/zinc/04/64/93/388046493.db2.gz PIBDNNITWGWZBW-VBROQKIQSA-N 0 3 236.334 3.474 20 0 BGADHN CC/C=C\CN[C@@H](c1cccnc1)C(C)C ZINC000453324688 386412812 /nfs/dbraw/zinc/41/28/12/386412812.db2.gz QONABLMCLFPWDY-GEXIGZQTSA-N 0 3 218.344 3.335 20 0 BGADHN CC/C=C/CN[C@H](c1cccnc1)C(C)C ZINC000453324689 386412086 /nfs/dbraw/zinc/41/20/86/386412086.db2.gz QONABLMCLFPWDY-GJBLVYBDSA-N 0 3 218.344 3.335 20 0 BGADHN CC/C=C\CN[C@H](c1cccnc1)C(C)C ZINC000453324690 386411063 /nfs/dbraw/zinc/41/10/63/386411063.db2.gz QONABLMCLFPWDY-GXMNPTEKSA-N 0 3 218.344 3.335 20 0 BGADHN CC/C=C/CN[C@@H](c1cccnc1)C(C)C ZINC000453324691 386412545 /nfs/dbraw/zinc/41/25/45/386412545.db2.gz QONABLMCLFPWDY-VBROQKIQSA-N 0 3 218.344 3.335 20 0 BGADHN CC/C=C/CN[C@@H](C)c1ccc2c(c1)COC2 ZINC000453324743 388046384 /nfs/dbraw/zinc/04/63/84/388046384.db2.gz RAWNOWHRSOMAAY-ITKZLYELSA-N 0 3 231.339 3.334 20 0 BGADHN CC/C=C\CN[C@H](C)c1ccc2c(c1)COC2 ZINC000453324744 388046571 /nfs/dbraw/zinc/04/65/71/388046571.db2.gz RAWNOWHRSOMAAY-QMAVJUDZSA-N 0 3 231.339 3.334 20 0 BGADHN CC/C=C\CN[C@@H](C)c1ccc2c(c1)COC2 ZINC000453324745 388046219 /nfs/dbraw/zinc/04/62/19/388046219.db2.gz RAWNOWHRSOMAAY-RXNFCKPNSA-N 0 3 231.339 3.334 20 0 BGADHN CC/C=C/CN[C@H](C)c1ccc2c(c1)COC2 ZINC000453324746 388046139 /nfs/dbraw/zinc/04/61/39/388046139.db2.gz RAWNOWHRSOMAAY-ZYOFXKKJSA-N 0 3 231.339 3.334 20 0 BGADHN CC/C=C\CN[C@@H](C)c1sccc1OC ZINC000453325592 388047706 /nfs/dbraw/zinc/04/77/06/388047706.db2.gz RGFDCONPNQYJGH-OMMCCPJFSA-N 0 3 225.357 3.374 20 0 BGADHN CC/C=C\CN[C@H](C)c1sccc1OC ZINC000453325596 388048276 /nfs/dbraw/zinc/04/82/76/388048276.db2.gz RGFDCONPNQYJGH-WWQCOOJYSA-N 0 3 225.357 3.374 20 0 BGADHN CO[C@@H]1CCC[C@H]1N[C@@H](C)c1cc(C)c(C)o1 ZINC000453326154 388048427 /nfs/dbraw/zinc/04/84/27/388048427.db2.gz NECNIMOAROMEET-CYZMBNFOSA-N 0 3 237.343 3.115 20 0 BGADHN CO[C@@H]1CCC[C@H]1N[C@H](C)c1cc(C)c(C)o1 ZINC000453326163 388048297 /nfs/dbraw/zinc/04/82/97/388048297.db2.gz NECNIMOAROMEET-RAIGVLPGSA-N 0 3 237.343 3.115 20 0 BGADHN CC/C=C\CN[C@H]1CCc2ccc(F)cc21 ZINC000453326310 488189273 /nfs/dbraw/zinc/18/92/73/488189273.db2.gz RUUBOTLWJSRFMA-NQHOJNORSA-N 0 3 219.303 3.369 20 0 BGADHN CC/C=C/CN[C@@H]1CCc2ccc(F)cc21 ZINC000453326316 488189196 /nfs/dbraw/zinc/18/91/96/488189196.db2.gz RUUBOTLWJSRFMA-RDFMZFSFSA-N 0 3 219.303 3.369 20 0 BGADHN CC/C=C\CN[C@@H]1CCc2ccc(F)cc21 ZINC000453326317 488189361 /nfs/dbraw/zinc/18/93/61/488189361.db2.gz RUUBOTLWJSRFMA-VQTKUKTRSA-N 0 3 219.303 3.369 20 0 BGADHN CC/C=C/CN[C@H]1CCc2ccc(F)cc21 ZINC000453326318 488189418 /nfs/dbraw/zinc/18/94/18/488189418.db2.gz RUUBOTLWJSRFMA-XGACYXMMSA-N 0 3 219.303 3.369 20 0 BGADHN CC/C=C/CN[C@H](C)[C@@H](OC)c1ccccc1 ZINC000453326438 388047450 /nfs/dbraw/zinc/04/74/50/388047450.db2.gz SCBVAQFTHDDVHH-IVZDOJFNSA-N 0 3 233.355 3.318 20 0 BGADHN CC/C=C/CN[C@H](C)[C@H](OC)c1ccccc1 ZINC000453326439 388047889 /nfs/dbraw/zinc/04/78/89/388047889.db2.gz SCBVAQFTHDDVHH-JHTAHENJSA-N 0 3 233.355 3.318 20 0 BGADHN CC/C=C\CN[C@H](C)[C@H](OC)c1ccccc1 ZINC000453326440 388047527 /nfs/dbraw/zinc/04/75/27/388047527.db2.gz SCBVAQFTHDDVHH-JSHITJIMSA-N 0 3 233.355 3.318 20 0 BGADHN CC/C=C\CN[C@H](C)[C@@H](OC)c1ccccc1 ZINC000453326441 388047597 /nfs/dbraw/zinc/04/75/97/388047597.db2.gz SCBVAQFTHDDVHH-UDDXRPRYSA-N 0 3 233.355 3.318 20 0 BGADHN CC[C@@H]1C[C@@H](C)CC[C@H]1NCc1nccn1CC ZINC000453328565 386426173 /nfs/dbraw/zinc/42/61/73/386426173.db2.gz UFUZXZKKAUFUKQ-BFHYXJOUSA-N 0 3 249.402 3.207 20 0 BGADHN CC[C@@H]1C[C@H](C)CC[C@@H]1NCc1nccn1CC ZINC000453328566 200790706 /nfs/dbraw/zinc/79/07/06/200790706.db2.gz UFUZXZKKAUFUKQ-MCIONIFRSA-N 0 3 249.402 3.207 20 0 BGADHN CC[C@@H]1C[C@H](C)CC[C@H]1NCc1nccn1CC ZINC000453328567 386427435 /nfs/dbraw/zinc/42/74/35/386427435.db2.gz UFUZXZKKAUFUKQ-MGPQQGTHSA-N 0 3 249.402 3.207 20 0 BGADHN CC[C@@H]1C[C@@H](C)CC[C@@H]1NCc1nccn1CC ZINC000453328568 200790721 /nfs/dbraw/zinc/79/07/21/200790721.db2.gz UFUZXZKKAUFUKQ-MJBXVCDLSA-N 0 3 249.402 3.207 20 0 BGADHN CC/C=C\CN[C@@H](c1cccnc1)C1CCC1 ZINC000453330089 388048246 /nfs/dbraw/zinc/04/82/46/388048246.db2.gz URBATRVMBAUFDZ-ABCZVMIZSA-N 0 3 230.355 3.479 20 0 BGADHN CC/C=C/CN[C@H](c1cccnc1)C1CCC1 ZINC000453330091 388048325 /nfs/dbraw/zinc/04/83/25/388048325.db2.gz URBATRVMBAUFDZ-BWPKMQGJSA-N 0 3 230.355 3.479 20 0 BGADHN CC/C=C\CN[C@H](c1cccnc1)C1CCC1 ZINC000453330093 388049116 /nfs/dbraw/zinc/04/91/16/388049116.db2.gz URBATRVMBAUFDZ-JZIMQPMSSA-N 0 3 230.355 3.479 20 0 BGADHN CC/C=C/CN[C@@H](c1cccnc1)C1CCC1 ZINC000453330095 388049921 /nfs/dbraw/zinc/04/99/21/388049921.db2.gz URBATRVMBAUFDZ-NHZBNJEXSA-N 0 3 230.355 3.479 20 0 BGADHN Cc1nc([C@H](C)NC[C@@H]2C[C@H]2C(C)C)cs1 ZINC000453331756 388049191 /nfs/dbraw/zinc/04/91/91/388049191.db2.gz AHRQSMLHMCCBIN-DLOVCJGASA-N 0 3 238.400 3.394 20 0 BGADHN Cc1nc([C@@H](C)NC[C@@H]2C[C@H]2C(C)C)cs1 ZINC000453331757 388048979 /nfs/dbraw/zinc/04/89/79/388048979.db2.gz AHRQSMLHMCCBIN-USWWRNFRSA-N 0 3 238.400 3.394 20 0 BGADHN CC/C=C\CN[C@@H](C)c1cnn(C(C)C)c1C ZINC000453332272 388049291 /nfs/dbraw/zinc/04/92/91/388049291.db2.gz VVPUSYLJHWVONJ-KRZKBDHCSA-N 0 3 235.375 3.389 20 0 BGADHN CC/C=C\CN[C@H](C)c1cnn(C(C)C)c1C ZINC000453332274 388049800 /nfs/dbraw/zinc/04/98/00/388049800.db2.gz VVPUSYLJHWVONJ-QDZRJHCZSA-N 0 3 235.375 3.389 20 0 BGADHN CC/C=C\CN[C@H](CC)c1ccncc1 ZINC000453332308 388048817 /nfs/dbraw/zinc/04/88/17/388048817.db2.gz WABLLODRHMXUAD-CFHLNLSMSA-N 0 3 204.317 3.089 20 0 BGADHN CC/C=C/CN[C@@H](CC)c1ccncc1 ZINC000453332309 388049415 /nfs/dbraw/zinc/04/94/15/388049415.db2.gz WABLLODRHMXUAD-GFUIURDCSA-N 0 3 204.317 3.089 20 0 BGADHN CC/C=C\CN[C@@H](CC)c1ccncc1 ZINC000453332310 388049133 /nfs/dbraw/zinc/04/91/33/388049133.db2.gz WABLLODRHMXUAD-SZZPACECSA-N 0 3 204.317 3.089 20 0 BGADHN CC/C=C/CN[C@H](CC)c1ccncc1 ZINC000453332311 388049140 /nfs/dbraw/zinc/04/91/40/388049140.db2.gz WABLLODRHMXUAD-URWSZGRFSA-N 0 3 204.317 3.089 20 0 BGADHN CC/C=C/CN[C@@H]1CCCOc2ccccc21 ZINC000453336355 388050385 /nfs/dbraw/zinc/05/03/85/388050385.db2.gz XZJQOHUBDJCAFU-BOTMBNHJSA-N 0 3 231.339 3.456 20 0 BGADHN CC/C=C\CN[C@@H]1CCCOc2ccccc21 ZINC000453336358 388050514 /nfs/dbraw/zinc/05/05/14/388050514.db2.gz XZJQOHUBDJCAFU-JHAQOBCDSA-N 0 3 231.339 3.456 20 0 BGADHN CC/C=C\CN[C@H]1CCCOc2ccccc21 ZINC000453336361 388050290 /nfs/dbraw/zinc/05/02/90/388050290.db2.gz XZJQOHUBDJCAFU-XSHSDMCLSA-N 0 3 231.339 3.456 20 0 BGADHN CC/C=C/CN[C@H]1CCCOc2ccccc21 ZINC000453336364 388050846 /nfs/dbraw/zinc/05/08/46/388050846.db2.gz XZJQOHUBDJCAFU-ZRFDWSJLSA-N 0 3 231.339 3.456 20 0 BGADHN CCc1ccc([C@@H](C)N[C@@H]2CCC[C@H]2OC)o1 ZINC000453336851 388050839 /nfs/dbraw/zinc/05/08/39/388050839.db2.gz YYXKHXUUXMEQFD-MPKXVKKWSA-N 0 3 237.343 3.060 20 0 BGADHN CCc1ccc([C@H](C)N[C@@H]2CCC[C@H]2OC)o1 ZINC000453336854 388051100 /nfs/dbraw/zinc/05/11/00/388051100.db2.gz YYXKHXUUXMEQFD-ZKYQVNSYSA-N 0 3 237.343 3.060 20 0 BGADHN c1nc(C2CC2)oc1CN[C@@H]1CCC12CCCC2 ZINC000453337913 388050953 /nfs/dbraw/zinc/05/09/53/388050953.db2.gz BRNPOMBXZHIAEC-CYBMUJFWSA-N 0 3 246.354 3.364 20 0 BGADHN c1nc(C2CC2)oc1CN[C@H]1CCC12CCCC2 ZINC000453337915 388051383 /nfs/dbraw/zinc/05/13/83/388051383.db2.gz BRNPOMBXZHIAEC-ZDUSSCGKSA-N 0 3 246.354 3.364 20 0 BGADHN CC/C=C\CN[C@@H](C)c1ncccc1CC ZINC000453338731 388050830 /nfs/dbraw/zinc/05/08/30/388050830.db2.gz YWRAHHDSLQXOTK-DGMVEKRQSA-N 0 3 218.344 3.261 20 0 BGADHN CC/C=C/CN[C@H](C)c1ncccc1CC ZINC000453338733 388050578 /nfs/dbraw/zinc/05/05/78/388050578.db2.gz YWRAHHDSLQXOTK-NNNHXZLVSA-N 0 3 218.344 3.261 20 0 BGADHN CC/C=C/CN[C@@H](C)c1ncccc1CC ZINC000453338734 388050145 /nfs/dbraw/zinc/05/01/45/388050145.db2.gz YWRAHHDSLQXOTK-SYTKJHMZSA-N 0 3 218.344 3.261 20 0 BGADHN CC/C=C\CN[C@H](C)c1ncccc1CC ZINC000453338736 388050891 /nfs/dbraw/zinc/05/08/91/388050891.db2.gz YWRAHHDSLQXOTK-ZHRWSRJISA-N 0 3 218.344 3.261 20 0 BGADHN CCC[C@@H]1CCC[C@@H]1N[C@H]1C[C@H](C)n2ccnc21 ZINC000453339890 388051715 /nfs/dbraw/zinc/05/17/15/388051715.db2.gz HBLFSIMWOMNUSE-CRWXNKLISA-N 0 3 247.386 3.447 20 0 BGADHN CCC[C@@H]1CCC[C@@H]1N[C@H]1C[C@@H](C)n2ccnc21 ZINC000453339894 388052307 /nfs/dbraw/zinc/05/23/07/388052307.db2.gz HBLFSIMWOMNUSE-MQYQWHSLSA-N 0 3 247.386 3.447 20 0 BGADHN CCC[C@@H]1CCC[C@@H]1N[C@@H]1C[C@H](C)n2ccnc21 ZINC000453339898 386452897 /nfs/dbraw/zinc/45/28/97/386452897.db2.gz HBLFSIMWOMNUSE-RFQIPJPRSA-N 0 3 247.386 3.447 20 0 BGADHN CCC[C@@H]1CCC[C@@H]1N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000453339902 386452129 /nfs/dbraw/zinc/45/21/29/386452129.db2.gz HBLFSIMWOMNUSE-YIYPIFLZSA-N 0 3 247.386 3.447 20 0 BGADHN CC/C=C\CN[C@H](C)c1ccc(CC)o1 ZINC000453340639 202741877 /nfs/dbraw/zinc/74/18/77/202741877.db2.gz ZKEWDHOPAMLFPN-JMEBYUIHSA-N 0 3 207.317 3.459 20 0 BGADHN CC/C=C/CN[C@@H](C)c1ccc(CC)o1 ZINC000453340640 388051822 /nfs/dbraw/zinc/05/18/22/388051822.db2.gz ZKEWDHOPAMLFPN-MLRMMBSGSA-N 0 3 207.317 3.459 20 0 BGADHN CC/C=C/CN[C@H](C)c1ccc(CC)o1 ZINC000453340642 388052390 /nfs/dbraw/zinc/05/23/90/388052390.db2.gz ZKEWDHOPAMLFPN-XUIVZRPNSA-N 0 3 207.317 3.459 20 0 BGADHN CC/C=C\CN[C@@H](C)c1ccc(CC)o1 ZINC000453340644 388052699 /nfs/dbraw/zinc/05/26/99/388052699.db2.gz ZKEWDHOPAMLFPN-ZADCQDASSA-N 0 3 207.317 3.459 20 0 BGADHN CC/C=C\CN[C@H](CCC)c1cccnc1 ZINC000453340785 388052262 /nfs/dbraw/zinc/05/22/62/388052262.db2.gz ZQFZVMPYCUTJHJ-GEXIGZQTSA-N 0 3 218.344 3.479 20 0 BGADHN CC/C=C\CN[C@@H](CCC)c1cccnc1 ZINC000453340786 388052596 /nfs/dbraw/zinc/05/25/96/388052596.db2.gz ZQFZVMPYCUTJHJ-GXMNPTEKSA-N 0 3 218.344 3.479 20 0 BGADHN CC(C)(C)[C@@H]1CC[C@H]1NCc1cnc(C2CC2)o1 ZINC000453343047 388052253 /nfs/dbraw/zinc/05/22/53/388052253.db2.gz FXMOQZVLOBCECB-CHWSQXEVSA-N 0 3 248.370 3.466 20 0 BGADHN CC(C)(C)[C@@H]1CC[C@@H]1NCc1cnc(C2CC2)o1 ZINC000453343049 388052417 /nfs/dbraw/zinc/05/24/17/388052417.db2.gz FXMOQZVLOBCECB-OLZOCXBDSA-N 0 3 248.370 3.466 20 0 BGADHN CC(C)(C)[C@H]1CC[C@H]1NCc1cnc(C2CC2)o1 ZINC000453343051 388051811 /nfs/dbraw/zinc/05/18/11/388051811.db2.gz FXMOQZVLOBCECB-QWHCGFSZSA-N 0 3 248.370 3.466 20 0 BGADHN CC(C)(C)[C@H]1CC[C@@H]1NCc1cnc(C2CC2)o1 ZINC000453343052 388052107 /nfs/dbraw/zinc/05/21/07/388052107.db2.gz FXMOQZVLOBCECB-STQMWFEESA-N 0 3 248.370 3.466 20 0 BGADHN CCc1ccc([C@H](C)N[C@H](CC)[C@H](O)CC)o1 ZINC000453343824 388053376 /nfs/dbraw/zinc/05/33/76/388053376.db2.gz DGQWFCNRZFFXCC-CYZMBNFOSA-N 0 3 239.359 3.042 20 0 BGADHN CCc1ccc([C@H](C)N[C@@H](CC)[C@@H](O)CC)o1 ZINC000453343825 388053625 /nfs/dbraw/zinc/05/36/25/388053625.db2.gz DGQWFCNRZFFXCC-DRZSPHRISA-N 0 3 239.359 3.042 20 0 BGADHN CCc1ccc([C@H](C)N[C@H](CC)[C@@H](O)CC)o1 ZINC000453343826 388054204 /nfs/dbraw/zinc/05/42/04/388054204.db2.gz DGQWFCNRZFFXCC-UHTWSYAYSA-N 0 3 239.359 3.042 20 0 BGADHN CCc1ccc([C@H](C)N[C@@H](CC)[C@H](O)CC)o1 ZINC000453343827 388053827 /nfs/dbraw/zinc/05/38/27/388053827.db2.gz DGQWFCNRZFFXCC-WCFLWFBJSA-N 0 3 239.359 3.042 20 0 BGADHN CC(C)[C@@H]1C[C@H]1CN[C@@H](C)c1ccc(F)cn1 ZINC000453344421 386455282 /nfs/dbraw/zinc/45/52/82/386455282.db2.gz JBHHEUMSSHMFNF-GVXVVHGQSA-N 0 3 236.334 3.163 20 0 BGADHN CC(C)[C@@H]1C[C@H]1CN[C@H](C)c1ccc(F)cn1 ZINC000453344461 386456566 /nfs/dbraw/zinc/45/65/66/386456566.db2.gz JBHHEUMSSHMFNF-MDZLAQPJSA-N 0 3 236.334 3.163 20 0 BGADHN CCc1ncc(CN[C@H](C2CC2)C2CCCC2)o1 ZINC000453346187 388053677 /nfs/dbraw/zinc/05/36/77/388053677.db2.gz AHNLDXQYGMQCHP-HNNXBMFYSA-N 0 3 248.370 3.295 20 0 BGADHN CCc1ncc(CN[C@@H](C2CC2)C2CCCC2)o1 ZINC000453346188 386462257 /nfs/dbraw/zinc/46/22/57/386462257.db2.gz AHNLDXQYGMQCHP-OAHLLOKOSA-N 0 3 248.370 3.295 20 0 BGADHN CC[C@@H](N[C@H](C)C1CCCC1)c1ccn(C)n1 ZINC000453348996 388053666 /nfs/dbraw/zinc/05/36/66/388053666.db2.gz IYQVMEOGSSVJIW-DGCLKSJQSA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@H](N[C@H](C)C1CCCC1)c1ccn(C)n1 ZINC000453348998 388054049 /nfs/dbraw/zinc/05/40/49/388054049.db2.gz IYQVMEOGSSVJIW-YPMHNXCESA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@@H](N[C@@H](C)c1cc(C)n(C)n1)C1CCCC1 ZINC000453349058 388055336 /nfs/dbraw/zinc/05/53/36/388055336.db2.gz GLRLQNAGZDTFSR-GXTWGEPZSA-N 0 3 249.402 3.348 20 0 BGADHN CC[C@H](N[C@@H](C)c1cc(C)n(C)n1)C1CCCC1 ZINC000453349060 388055516 /nfs/dbraw/zinc/05/55/16/388055516.db2.gz GLRLQNAGZDTFSR-JSGCOSHPSA-N 0 3 249.402 3.348 20 0 BGADHN CC[C@H](N[C@H](C)c1cc(C)n(C)n1)C1CCCC1 ZINC000453349063 202747132 /nfs/dbraw/zinc/74/71/32/202747132.db2.gz GLRLQNAGZDTFSR-OCCSQVGLSA-N 0 3 249.402 3.348 20 0 BGADHN CC[C@@H](N[C@H](C)c1cc(C)n(C)n1)C1CCCC1 ZINC000453349065 388054764 /nfs/dbraw/zinc/05/47/64/388054764.db2.gz GLRLQNAGZDTFSR-TZMCWYRMSA-N 0 3 249.402 3.348 20 0 BGADHN CC[C@H](O)[C@H](CC)N[C@@H](C)c1cc(C)c(C)o1 ZINC000453351452 388055450 /nfs/dbraw/zinc/05/54/50/388055450.db2.gz HECQDWITUYMAPT-DRZSPHRISA-N 0 3 239.359 3.097 20 0 BGADHN CC[C@@H](N[C@H](C)c1cc(C)c(C)o1)[C@@H](O)CC ZINC000453351453 388054950 /nfs/dbraw/zinc/05/49/50/388054950.db2.gz HECQDWITUYMAPT-RTXFEEFZSA-N 0 3 239.359 3.097 20 0 BGADHN CC[C@@H](N[C@@H](C)c1cc(C)c(C)o1)[C@@H](O)CC ZINC000453351454 388055780 /nfs/dbraw/zinc/05/57/80/388055780.db2.gz HECQDWITUYMAPT-UHTWSYAYSA-N 0 3 239.359 3.097 20 0 BGADHN CC[C@H](O)[C@H](CC)N[C@H](C)c1cc(C)c(C)o1 ZINC000453351455 388055536 /nfs/dbraw/zinc/05/55/36/388055536.db2.gz HECQDWITUYMAPT-WXHSDQCUSA-N 0 3 239.359 3.097 20 0 BGADHN COc1cccnc1CN[C@H]1CC[C@H]1C(C)(C)C ZINC000453351700 388055673 /nfs/dbraw/zinc/05/56/73/388055673.db2.gz FGBXFLVRPURPKF-NEPJUHHUSA-N 0 3 248.370 3.005 20 0 BGADHN COc1cccnc1CN[C@@H]1CC[C@@H]1C(C)(C)C ZINC000453351701 388055933 /nfs/dbraw/zinc/05/59/33/388055933.db2.gz FGBXFLVRPURPKF-NWDGAFQWSA-N 0 3 248.370 3.005 20 0 BGADHN COc1cccnc1CN[C@H]1CC[C@@H]1C(C)(C)C ZINC000453351703 388054921 /nfs/dbraw/zinc/05/49/21/388054921.db2.gz FGBXFLVRPURPKF-RYUDHWBXSA-N 0 3 248.370 3.005 20 0 BGADHN COc1cccnc1CN[C@@H]1CC[C@H]1C(C)(C)C ZINC000453351704 388054867 /nfs/dbraw/zinc/05/48/67/388054867.db2.gz FGBXFLVRPURPKF-VXGBXAGGSA-N 0 3 248.370 3.005 20 0 BGADHN C[C@@H](NC[C@@H]1CCCC(C)(C)C1)c1cnccn1 ZINC000453351710 388054907 /nfs/dbraw/zinc/05/49/07/388054907.db2.gz FHCSMTQYKDVREM-CHWSQXEVSA-N 0 3 247.386 3.344 20 0 BGADHN C[C@@H](NC[C@H]1CCCC(C)(C)C1)c1cnccn1 ZINC000453351711 388055119 /nfs/dbraw/zinc/05/51/19/388055119.db2.gz FHCSMTQYKDVREM-OLZOCXBDSA-N 0 3 247.386 3.344 20 0 BGADHN C[C@H](NC[C@@H]1CCCC(C)(C)C1)c1cnccn1 ZINC000453351713 202746361 /nfs/dbraw/zinc/74/63/61/202746361.db2.gz FHCSMTQYKDVREM-QWHCGFSZSA-N 0 3 247.386 3.344 20 0 BGADHN C[C@H](NC[C@H]1CCCC(C)(C)C1)c1cnccn1 ZINC000453351715 388055870 /nfs/dbraw/zinc/05/58/70/388055870.db2.gz FHCSMTQYKDVREM-STQMWFEESA-N 0 3 247.386 3.344 20 0 BGADHN C[C@@H](NCc1cnc(C2CC2)o1)C(C)(C)C ZINC000453352088 388055805 /nfs/dbraw/zinc/05/58/05/388055805.db2.gz KUIHBWVYEDTHHD-SECBINFHSA-N 0 3 222.332 3.076 20 0 BGADHN C[C@H](NCc1cnc(C2CC2)o1)C(C)(C)C ZINC000453352089 388055089 /nfs/dbraw/zinc/05/50/89/388055089.db2.gz KUIHBWVYEDTHHD-VIFPVBQESA-N 0 3 222.332 3.076 20 0 BGADHN c1nc(C2CC2)oc1CN[C@H](C1CC1)C1CCC1 ZINC000453352097 388054630 /nfs/dbraw/zinc/05/46/30/388054630.db2.gz KVCKWFHGRZRWKO-AWEZNQCLSA-N 0 3 246.354 3.220 20 0 BGADHN c1nc(C2CC2)oc1CN[C@@H](C1CC1)C1CCC1 ZINC000453352100 388057005 /nfs/dbraw/zinc/05/70/05/388057005.db2.gz KVCKWFHGRZRWKO-CQSZACIVSA-N 0 3 246.354 3.220 20 0 BGADHN C[C@@H](NC[C@H]1CCCC(C)(C)C1)c1ncc[nH]1 ZINC000453352907 488189901 /nfs/dbraw/zinc/18/99/01/488189901.db2.gz GHFGVMFYIRFGBE-NEPJUHHUSA-N 0 3 235.375 3.277 20 0 BGADHN C[C@H](NC[C@@H]1CCCC(C)(C)C1)c1ncc[nH]1 ZINC000453352908 488189949 /nfs/dbraw/zinc/18/99/49/488189949.db2.gz GHFGVMFYIRFGBE-NWDGAFQWSA-N 0 3 235.375 3.277 20 0 BGADHN C[C@H](NC[C@H]1CCCC(C)(C)C1)c1ncc[nH]1 ZINC000453352909 488190324 /nfs/dbraw/zinc/19/03/24/488190324.db2.gz GHFGVMFYIRFGBE-RYUDHWBXSA-N 0 3 235.375 3.277 20 0 BGADHN C[C@@H](NC[C@@H]1CCCC(C)(C)C1)c1ncc[nH]1 ZINC000453352910 488189074 /nfs/dbraw/zinc/18/90/74/488189074.db2.gz GHFGVMFYIRFGBE-VXGBXAGGSA-N 0 3 235.375 3.277 20 0 BGADHN CCc1ncc(CN[C@H](CC)C(C)(C)C)o1 ZINC000453353725 388057568 /nfs/dbraw/zinc/05/75/68/388057568.db2.gz CQFXWHFCEOXMRF-LLVKDONJSA-N 0 3 224.348 3.151 20 0 BGADHN CCc1ncc(CN[C@@H](CC)C(C)(C)C)o1 ZINC000453353726 388057238 /nfs/dbraw/zinc/05/72/38/388057238.db2.gz CQFXWHFCEOXMRF-NSHDSACASA-N 0 3 224.348 3.151 20 0 BGADHN CC(C)[C@@H]1C[C@H]1CN[C@@H](C)c1ccco1 ZINC000453354133 388057520 /nfs/dbraw/zinc/05/75/20/388057520.db2.gz NBKWOCWSVZFEIN-SRVKXCTJSA-N 0 3 207.317 3.222 20 0 BGADHN CC(C)[C@@H]1C[C@H]1CN[C@H](C)c1ccco1 ZINC000453354135 388057458 /nfs/dbraw/zinc/05/74/58/388057458.db2.gz NBKWOCWSVZFEIN-WOPDTQHZSA-N 0 3 207.317 3.222 20 0 BGADHN CCCc1ncc(CN[C@@H]2CCC23CCCC3)o1 ZINC000453355530 388056215 /nfs/dbraw/zinc/05/62/15/388056215.db2.gz DFVGHXNUMZFNTB-CYBMUJFWSA-N 0 3 248.370 3.440 20 0 BGADHN CCCc1ncc(CN[C@H]2CCC23CCCC3)o1 ZINC000453355535 388057074 /nfs/dbraw/zinc/05/70/74/388057074.db2.gz DFVGHXNUMZFNTB-ZDUSSCGKSA-N 0 3 248.370 3.440 20 0 BGADHN CC[C@@H](NCc1cnc(C2CC2)o1)C(C)(C)C ZINC000453356507 388057230 /nfs/dbraw/zinc/05/72/30/388057230.db2.gz MSVJRUFKPGVQAV-GFCCVEGCSA-N 0 3 236.359 3.466 20 0 BGADHN CC[C@H](NCc1cnc(C2CC2)o1)C(C)(C)C ZINC000453356510 388057363 /nfs/dbraw/zinc/05/73/63/388057363.db2.gz MSVJRUFKPGVQAV-LBPRGKRZSA-N 0 3 236.359 3.466 20 0 BGADHN CCC[C@@H](NCc1cnc(CC)o1)C1CCC1 ZINC000453357007 388057954 /nfs/dbraw/zinc/05/79/54/388057954.db2.gz DPJUHQGITVOYDD-CYBMUJFWSA-N 0 3 236.359 3.295 20 0 BGADHN CCC[C@H](NCc1cnc(CC)o1)C1CCC1 ZINC000453357008 388058065 /nfs/dbraw/zinc/05/80/65/388058065.db2.gz DPJUHQGITVOYDD-ZDUSSCGKSA-N 0 3 236.359 3.295 20 0 BGADHN C[C@@H]1CCC[C@@H](C)C1NCc1cnc(C2CC2)o1 ZINC000453357733 388057945 /nfs/dbraw/zinc/05/79/45/388057945.db2.gz NQFUEFFHCQVLCG-GHMZBOCLSA-N 0 3 248.370 3.466 20 0 BGADHN C[C@H]1CCC[C@H](C)C1NCc1cnc(C2CC2)o1 ZINC000453357735 388058085 /nfs/dbraw/zinc/05/80/85/388058085.db2.gz NQFUEFFHCQVLCG-QWRGUYRKSA-N 0 3 248.370 3.466 20 0 BGADHN C[C@@H]1CCC[C@H](C)[C@H]1NCc1cnc(C2CC2)o1 ZINC000453357737 388058101 /nfs/dbraw/zinc/05/81/01/388058101.db2.gz NQFUEFFHCQVLCG-YABSGUDNSA-N 0 3 248.370 3.466 20 0 BGADHN CC[C@@H](NCc1ncccc1OC)C(C)(C)C ZINC000453358196 388058705 /nfs/dbraw/zinc/05/87/05/388058705.db2.gz IXINQGKEALWREQ-CYBMUJFWSA-N 0 3 236.359 3.005 20 0 BGADHN CC[C@H](NCc1ncccc1OC)C(C)(C)C ZINC000453358197 388057921 /nfs/dbraw/zinc/05/79/21/388057921.db2.gz IXINQGKEALWREQ-ZDUSSCGKSA-N 0 3 236.359 3.005 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@H]1CC[C@@H]1C(C)(C)C ZINC000453358870 388058365 /nfs/dbraw/zinc/05/83/65/388058365.db2.gz QBNVTPCVDHQXIC-AVGNSLFASA-N 0 3 249.402 3.378 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@@H]1CC[C@@H]1C(C)(C)C ZINC000453358876 388057999 /nfs/dbraw/zinc/05/79/99/388057999.db2.gz QBNVTPCVDHQXIC-RWMBFGLXSA-N 0 3 249.402 3.378 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@H]1CC[C@H]1C(C)(C)C ZINC000453358879 388058875 /nfs/dbraw/zinc/05/88/75/388058875.db2.gz QBNVTPCVDHQXIC-XQQFMLRXSA-N 0 3 249.402 3.378 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@@H]1CC[C@H]1C(C)(C)C ZINC000453358885 388058212 /nfs/dbraw/zinc/05/82/12/388058212.db2.gz QBNVTPCVDHQXIC-YNEHKIRRSA-N 0 3 249.402 3.378 20 0 BGADHN CCc1ncc(CN[C@H]2CC[C@H]2C(C)(C)C)o1 ZINC000453360372 388058619 /nfs/dbraw/zinc/05/86/19/388058619.db2.gz FHAYGGDHYWNKGA-NEPJUHHUSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1ncc(CN[C@@H]2CC[C@@H]2C(C)(C)C)o1 ZINC000453360373 388058306 /nfs/dbraw/zinc/05/83/06/388058306.db2.gz FHAYGGDHYWNKGA-NWDGAFQWSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1ncc(CN[C@H]2CC[C@@H]2C(C)(C)C)o1 ZINC000453360375 388058163 /nfs/dbraw/zinc/05/81/63/388058163.db2.gz FHAYGGDHYWNKGA-RYUDHWBXSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1ncc(CN[C@@H]2CC[C@H]2C(C)(C)C)o1 ZINC000453360377 388058273 /nfs/dbraw/zinc/05/82/73/388058273.db2.gz FHAYGGDHYWNKGA-VXGBXAGGSA-N 0 3 236.359 3.151 20 0 BGADHN C[C@@H](N[C@H]1C[C@@H](O)C1)c1ccc(C(C)(C)C)cc1 ZINC000453361826 490265017 /nfs/dbraw/zinc/26/50/17/490265017.db2.gz LAMJPBHCXZXMFB-DFBGVHRSSA-N 0 3 247.382 3.158 20 0 BGADHN C[C@H](N[C@H]1C[C@@H](O)C1)c1ccc(C(C)(C)C)cc1 ZINC000453361827 490265003 /nfs/dbraw/zinc/26/50/03/490265003.db2.gz LAMJPBHCXZXMFB-TUKIKUTGSA-N 0 3 247.382 3.158 20 0 BGADHN CC[C@@H]1CCCC[C@H]1NCc1ncccc1OC ZINC000453363248 388059574 /nfs/dbraw/zinc/05/95/74/388059574.db2.gz MMAVNLMURHAASC-CHWSQXEVSA-N 0 3 248.370 3.149 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1NCc1ncccc1OC ZINC000453363250 388060368 /nfs/dbraw/zinc/06/03/68/388060368.db2.gz MMAVNLMURHAASC-OLZOCXBDSA-N 0 3 248.370 3.149 20 0 BGADHN CC[C@H]1CCCC[C@H]1NCc1ncccc1OC ZINC000453363252 202751152 /nfs/dbraw/zinc/75/11/52/202751152.db2.gz MMAVNLMURHAASC-QWHCGFSZSA-N 0 3 248.370 3.149 20 0 BGADHN CC(C)[C@@H]1C[C@H]1CN[C@@H](C)c1nccs1 ZINC000453363562 388060304 /nfs/dbraw/zinc/06/03/04/388060304.db2.gz RSEUNBLKMLQXHJ-DCAQKATOSA-N 0 3 224.373 3.086 20 0 BGADHN CC(C)[C@@H]1C[C@H]1CN[C@H](C)c1nccs1 ZINC000453363563 388059624 /nfs/dbraw/zinc/05/96/24/388059624.db2.gz RSEUNBLKMLQXHJ-VWYCJHECSA-N 0 3 224.373 3.086 20 0 BGADHN CC[C@H]1CCCC[C@@H]1NCc1ncccc1OC ZINC000453364024 388060053 /nfs/dbraw/zinc/06/00/53/388060053.db2.gz MMAVNLMURHAASC-STQMWFEESA-N 0 3 248.370 3.149 20 0 BGADHN CCn1ccnc1[C@@H](C)N[C@@H](C1CC1)C1CCC1 ZINC000453364441 388059970 /nfs/dbraw/zinc/05/99/70/388059970.db2.gz RXUGWCHLBIQFDF-BXUZGUMPSA-N 0 3 247.386 3.132 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@H](C1CC1)C1CCC1 ZINC000453364443 388059232 /nfs/dbraw/zinc/05/92/32/388059232.db2.gz RXUGWCHLBIQFDF-FZMZJTMJSA-N 0 3 247.386 3.132 20 0 BGADHN CCn1ccnc1[C@@H](C)N[C@H](C1CC1)C1CCC1 ZINC000453364446 388060189 /nfs/dbraw/zinc/06/01/89/388060189.db2.gz RXUGWCHLBIQFDF-RISCZKNCSA-N 0 3 247.386 3.132 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@@H](C1CC1)C1CCC1 ZINC000453364448 388060072 /nfs/dbraw/zinc/06/00/72/388060072.db2.gz RXUGWCHLBIQFDF-SMDDNHRTSA-N 0 3 247.386 3.132 20 0 BGADHN CC[C@H](N[C@@H](CC)C1CCCC1)c1ccn(C)n1 ZINC000453367839 202750494 /nfs/dbraw/zinc/75/04/94/202750494.db2.gz MMGJDTPWRBPKAR-KBPBESRZSA-N 0 3 249.402 3.430 20 0 BGADHN CC[C@@H](N[C@@H](CC)c1ccn(C)n1)C1CCCC1 ZINC000453367842 388061862 /nfs/dbraw/zinc/06/18/62/388061862.db2.gz MMGJDTPWRBPKAR-KGLIPLIRSA-N 0 3 249.402 3.430 20 0 BGADHN CC[C@@H](N[C@@H](CC)C1CCCC1)c1ccn(C)n1 ZINC000453367848 388061836 /nfs/dbraw/zinc/06/18/36/388061836.db2.gz MMGJDTPWRBPKAR-UONOGXRCSA-N 0 3 249.402 3.430 20 0 BGADHN CC[C@@H](N[C@H](CC)C1CCCC1)c1ccn(C)n1 ZINC000453367851 388061453 /nfs/dbraw/zinc/06/14/53/388061453.db2.gz MMGJDTPWRBPKAR-ZIAGYGMSSA-N 0 3 249.402 3.430 20 0 BGADHN C[C@@H](NC[C@@H]1CCCC(C)(C)C1)c1nccn1C ZINC000453367972 388061524 /nfs/dbraw/zinc/06/15/24/388061524.db2.gz PCJIKBOQOQQONW-CHWSQXEVSA-N 0 3 249.402 3.287 20 0 BGADHN C[C@@H](NC[C@H]1CCCC(C)(C)C1)c1nccn1C ZINC000453367977 388061145 /nfs/dbraw/zinc/06/11/45/388061145.db2.gz PCJIKBOQOQQONW-OLZOCXBDSA-N 0 3 249.402 3.287 20 0 BGADHN C[C@H](NC[C@@H]1CCCC(C)(C)C1)c1nccn1C ZINC000453367982 388061121 /nfs/dbraw/zinc/06/11/21/388061121.db2.gz PCJIKBOQOQQONW-QWHCGFSZSA-N 0 3 249.402 3.287 20 0 BGADHN C[C@H](NC[C@H]1CCCC(C)(C)C1)c1nccn1C ZINC000453367986 388061365 /nfs/dbraw/zinc/06/13/65/388061365.db2.gz PCJIKBOQOQQONW-STQMWFEESA-N 0 3 249.402 3.287 20 0 BGADHN CC(C)Cc1ccc([C@H](C)N[C@H]2C[C@@H](O)C2)cc1 ZINC000453368803 388061914 /nfs/dbraw/zinc/06/19/14/388061914.db2.gz PJJBXWWXRHLWMG-VBNZEHGJSA-N 0 3 247.382 3.059 20 0 BGADHN CC(C)Cc1ccc([C@@H](C)N[C@H]2C[C@@H](O)C2)cc1 ZINC000453368807 388061414 /nfs/dbraw/zinc/06/14/14/388061414.db2.gz PJJBXWWXRHLWMG-WQVCFCJDSA-N 0 3 247.382 3.059 20 0 BGADHN CC(C)[C@@H]1C[C@H]1CN[C@@H](C)c1ccncc1F ZINC000453369657 388061458 /nfs/dbraw/zinc/06/14/58/388061458.db2.gz VJKJODAYOLWNMI-GVXVVHGQSA-N 0 3 236.334 3.163 20 0 BGADHN CC(C)[C@@H]1C[C@H]1CN[C@H](C)c1ccncc1F ZINC000453369659 388060933 /nfs/dbraw/zinc/06/09/33/388060933.db2.gz VJKJODAYOLWNMI-MDZLAQPJSA-N 0 3 236.334 3.163 20 0 BGADHN CCC[C@@H](NCc1ncccc1OC)C1CCC1 ZINC000453369951 386490601 /nfs/dbraw/zinc/49/06/01/386490601.db2.gz QBFKVBNFURDWGK-CYBMUJFWSA-N 0 3 248.370 3.149 20 0 BGADHN CCC[C@H](NCc1ncccc1OC)C1CCC1 ZINC000453369963 386490549 /nfs/dbraw/zinc/49/05/49/386490549.db2.gz QBFKVBNFURDWGK-ZDUSSCGKSA-N 0 3 248.370 3.149 20 0 BGADHN CCc1ncc(CN[C@@H]2CCC23CCCC3)o1 ZINC000453370486 388062948 /nfs/dbraw/zinc/06/29/48/388062948.db2.gz IESDAEMDFWMVNX-GFCCVEGCSA-N 0 3 234.343 3.049 20 0 BGADHN CCc1ncc(CN[C@H]2CCC23CCCC3)o1 ZINC000453370488 388062430 /nfs/dbraw/zinc/06/24/30/388062430.db2.gz IESDAEMDFWMVNX-LBPRGKRZSA-N 0 3 234.343 3.049 20 0 BGADHN C[C@@H]1C[C@H](N[C@@H]2CC[C@H]2C(C)(C)C)c2nccn21 ZINC000453370733 388062289 /nfs/dbraw/zinc/06/22/89/388062289.db2.gz VWZOIBMOBNTIBP-LPWJVIDDSA-N 0 3 247.386 3.303 20 0 BGADHN C[C@@H]1C[C@H](N[C@H]2CC[C@H]2C(C)(C)C)c2nccn21 ZINC000453370735 202753132 /nfs/dbraw/zinc/75/31/32/202753132.db2.gz VWZOIBMOBNTIBP-NDBYEHHHSA-N 0 3 247.386 3.303 20 0 BGADHN C[C@@H]1C[C@H](N[C@H]2CC[C@@H]2C(C)(C)C)c2nccn21 ZINC000453370736 388062303 /nfs/dbraw/zinc/06/23/03/388062303.db2.gz VWZOIBMOBNTIBP-VOAKCMCISA-N 0 3 247.386 3.303 20 0 BGADHN C[C@@H]1C[C@H](N[C@@H]2CC[C@@H]2C(C)(C)C)c2nccn21 ZINC000453370738 202754199 /nfs/dbraw/zinc/75/41/99/202754199.db2.gz VWZOIBMOBNTIBP-XQHKEYJVSA-N 0 3 247.386 3.303 20 0 BGADHN COc1cccnc1CN[C@H]1[C@H](C)CCC[C@@H]1C ZINC000453371237 388063003 /nfs/dbraw/zinc/06/30/03/388063003.db2.gz QXGBKZVWXHWGQO-JYAVWHMHSA-N 0 3 248.370 3.005 20 0 BGADHN COc1cccnc1CNC1[C@@H](C)CCC[C@@H]1C ZINC000453371242 388062262 /nfs/dbraw/zinc/06/22/62/388062262.db2.gz QXGBKZVWXHWGQO-RYUDHWBXSA-N 0 3 248.370 3.005 20 0 BGADHN COc1cccnc1CNC1[C@H](C)CCC[C@H]1C ZINC000453371245 388062745 /nfs/dbraw/zinc/06/27/45/388062745.db2.gz QXGBKZVWXHWGQO-VXGBXAGGSA-N 0 3 248.370 3.005 20 0 BGADHN CCC[C@@H]1CCC[C@H]1NCc1ncccc1OC ZINC000453375828 388064206 /nfs/dbraw/zinc/06/42/06/388064206.db2.gz UDWSLCFRZLWDTH-CHWSQXEVSA-N 0 3 248.370 3.149 20 0 BGADHN CCC[C@@H]1CCC[C@@H]1NCc1ncccc1OC ZINC000453375831 202752503 /nfs/dbraw/zinc/75/25/03/202752503.db2.gz UDWSLCFRZLWDTH-OLZOCXBDSA-N 0 3 248.370 3.149 20 0 BGADHN CCC[C@H]1CCC[C@H]1NCc1ncccc1OC ZINC000453375832 388064615 /nfs/dbraw/zinc/06/46/15/388064615.db2.gz UDWSLCFRZLWDTH-QWHCGFSZSA-N 0 3 248.370 3.149 20 0 BGADHN CCC[C@H]1CCC[C@@H]1NCc1ncccc1OC ZINC000453375835 388064429 /nfs/dbraw/zinc/06/44/29/388064429.db2.gz UDWSLCFRZLWDTH-STQMWFEESA-N 0 3 248.370 3.149 20 0 BGADHN CC(C)Cc1cccc([C@H](C)N[C@H]2C[C@@H](O)C2)c1 ZINC000453377944 388064507 /nfs/dbraw/zinc/06/45/07/388064507.db2.gz WAECPEJHZLYZJJ-VBNZEHGJSA-N 0 3 247.382 3.059 20 0 BGADHN CC(C)Cc1cccc([C@@H](C)N[C@H]2C[C@@H](O)C2)c1 ZINC000453377946 388063758 /nfs/dbraw/zinc/06/37/58/388063758.db2.gz WAECPEJHZLYZJJ-WQVCFCJDSA-N 0 3 247.382 3.059 20 0 BGADHN C[C@H](N[C@H]1C[C@@H](O)C1)c1ccccc1C(C)(C)C ZINC000453380546 388066295 /nfs/dbraw/zinc/06/62/95/388066295.db2.gz XMMFACOSBYRMRS-RWMBFGLXSA-N 0 3 247.382 3.158 20 0 BGADHN C[C@@H](N[C@H]1C[C@@H](O)C1)c1ccccc1C(C)(C)C ZINC000453380551 388066013 /nfs/dbraw/zinc/06/60/13/388066013.db2.gz XMMFACOSBYRMRS-UPJWGTAASA-N 0 3 247.382 3.158 20 0 BGADHN C[C@@H](NCC1(C2CCC2)CCC1)c1ncc[nH]1 ZINC000453381571 488190249 /nfs/dbraw/zinc/19/02/49/488190249.db2.gz BJOSNKNDDTYUDA-LLVKDONJSA-N 0 3 233.359 3.031 20 0 BGADHN C[C@H](NCC1(C2CCC2)CCC1)c1ncc[nH]1 ZINC000453381572 488190048 /nfs/dbraw/zinc/19/00/48/488190048.db2.gz BJOSNKNDDTYUDA-NSHDSACASA-N 0 3 233.359 3.031 20 0 BGADHN CC[C@@H](NC[C@@H]1C[C@H]1C1CC1)c1ccc(F)cn1 ZINC000453382604 388066099 /nfs/dbraw/zinc/06/60/99/388066099.db2.gz ZGFANYYEHABWAG-FPMFFAJLSA-N 0 3 248.345 3.308 20 0 BGADHN CC[C@H](NC[C@@H]1C[C@H]1C1CC1)c1ccc(F)cn1 ZINC000453382605 388065523 /nfs/dbraw/zinc/06/55/23/388065523.db2.gz ZGFANYYEHABWAG-UBHSHLNASA-N 0 3 248.345 3.308 20 0 BGADHN C[C@@H](NC[C@@H]1CCCC(C)(C)C1)c1ccncn1 ZINC000453383006 388065236 /nfs/dbraw/zinc/06/52/36/388065236.db2.gz ZUIIXTKBARLHCC-CHWSQXEVSA-N 0 3 247.386 3.344 20 0 BGADHN C[C@@H](NC[C@H]1CCCC(C)(C)C1)c1ccncn1 ZINC000453383007 388066245 /nfs/dbraw/zinc/06/62/45/388066245.db2.gz ZUIIXTKBARLHCC-OLZOCXBDSA-N 0 3 247.386 3.344 20 0 BGADHN C[C@H](NC[C@@H]1CCCC(C)(C)C1)c1ccncn1 ZINC000453383008 388066200 /nfs/dbraw/zinc/06/62/00/388066200.db2.gz ZUIIXTKBARLHCC-QWHCGFSZSA-N 0 3 247.386 3.344 20 0 BGADHN C[C@H](NC[C@H]1CCCC(C)(C)C1)c1ccncn1 ZINC000453383009 388066210 /nfs/dbraw/zinc/06/62/10/388066210.db2.gz ZUIIXTKBARLHCC-STQMWFEESA-N 0 3 247.386 3.344 20 0 BGADHN CCO[C@@H]1CCCC[C@H]1N[C@@H](C)c1ccco1 ZINC000453384466 388065611 /nfs/dbraw/zinc/06/56/11/388065611.db2.gz AIPCNLFMTPNRBB-OUCADQQQSA-N 0 3 237.343 3.278 20 0 BGADHN CCO[C@@H]1CCCC[C@H]1N[C@H](C)c1ccco1 ZINC000453384468 388066151 /nfs/dbraw/zinc/06/61/51/388066151.db2.gz AIPCNLFMTPNRBB-YRGRVCCFSA-N 0 3 237.343 3.278 20 0 BGADHN CCCc1ncc(CN[C@@H]2CCC23CCC3)o1 ZINC000453387121 388067268 /nfs/dbraw/zinc/06/72/68/388067268.db2.gz OKFGZGYEBSRNPQ-GFCCVEGCSA-N 0 3 234.343 3.049 20 0 BGADHN CCCc1ncc(CN[C@H]2CCC23CCC3)o1 ZINC000453387123 386542804 /nfs/dbraw/zinc/54/28/04/386542804.db2.gz OKFGZGYEBSRNPQ-LBPRGKRZSA-N 0 3 234.343 3.049 20 0 BGADHN CCc1ncc(CNC2[C@H](C)CCC[C@H]2C)o1 ZINC000453389021 202757791 /nfs/dbraw/zinc/75/77/91/202757791.db2.gz PKXNSWOMDVVUTA-GHMZBOCLSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1ncc(CNC2[C@@H](C)CCC[C@@H]2C)o1 ZINC000453389022 388066801 /nfs/dbraw/zinc/06/68/01/388066801.db2.gz PKXNSWOMDVVUTA-QWRGUYRKSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1ncc(CN[C@H]2[C@H](C)CCC[C@@H]2C)o1 ZINC000453389024 388067249 /nfs/dbraw/zinc/06/72/49/388067249.db2.gz PKXNSWOMDVVUTA-YABSGUDNSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1ncc(CNC(C2CCC2)C2CCC2)o1 ZINC000453390033 388067139 /nfs/dbraw/zinc/06/71/39/388067139.db2.gz QATWNCHPZQOWFP-UHFFFAOYSA-N 0 3 248.370 3.295 20 0 BGADHN CCCc1ncc(CN[C@@H](C)C(C)(C)C)o1 ZINC000453392622 388069170 /nfs/dbraw/zinc/06/91/70/388069170.db2.gz REXLGYIOEASVMG-JTQLQIEISA-N 0 3 224.348 3.151 20 0 BGADHN CCCc1ncc(CN[C@H](C)C(C)(C)C)o1 ZINC000453392623 388068772 /nfs/dbraw/zinc/06/87/72/388068772.db2.gz REXLGYIOEASVMG-SNVBAGLBSA-N 0 3 224.348 3.151 20 0 BGADHN CCCc1ncc(CN[C@H](C2CC2)C2CCC2)o1 ZINC000453393443 388068827 /nfs/dbraw/zinc/06/88/27/388068827.db2.gz RSCQWKVSOISJEG-HNNXBMFYSA-N 0 3 248.370 3.295 20 0 BGADHN CCCc1ncc(CN[C@@H](C2CC2)C2CCC2)o1 ZINC000453393445 388069399 /nfs/dbraw/zinc/06/93/99/388069399.db2.gz RSCQWKVSOISJEG-OAHLLOKOSA-N 0 3 248.370 3.295 20 0 BGADHN CCO[C@@H]1CCC[C@H]1N[C@H](C)c1cccc(O)c1 ZINC000453394323 388068503 /nfs/dbraw/zinc/06/85/03/388068503.db2.gz FXUASTSDIJEDGP-KCPJHIHWSA-N 0 3 249.354 3.000 20 0 BGADHN CCO[C@@H]1CCC[C@H]1N[C@@H](C)c1cccc(O)c1 ZINC000453394326 388069821 /nfs/dbraw/zinc/06/98/21/388069821.db2.gz FXUASTSDIJEDGP-NILFDRSVSA-N 0 3 249.354 3.000 20 0 BGADHN COCC1(CN[C@H](C)c2ccco2)CCCC1 ZINC000453395119 386558611 /nfs/dbraw/zinc/55/86/11/386558611.db2.gz XALTUONGXHSMRV-GFCCVEGCSA-N 0 3 237.343 3.137 20 0 BGADHN COCC1(CN[C@@H](C)c2ccco2)CCCC1 ZINC000453395120 386560925 /nfs/dbraw/zinc/56/09/25/386560925.db2.gz XALTUONGXHSMRV-LBPRGKRZSA-N 0 3 237.343 3.137 20 0 BGADHN CCC[C@H]1CCC[C@@H]1NCc1cnc(CC)o1 ZINC000453395177 388071337 /nfs/dbraw/zinc/07/13/37/388071337.db2.gz TVCMUMDFQZKWJF-AAEUAGOBSA-N 0 3 236.359 3.295 20 0 BGADHN CCC[C@@H]1CCC[C@H]1NCc1cnc(CC)o1 ZINC000453395178 388071122 /nfs/dbraw/zinc/07/11/22/388071122.db2.gz TVCMUMDFQZKWJF-DGCLKSJQSA-N 0 3 236.359 3.295 20 0 BGADHN CCC[C@H]1CCC[C@H]1NCc1cnc(CC)o1 ZINC000453395179 388070266 /nfs/dbraw/zinc/07/02/66/388070266.db2.gz TVCMUMDFQZKWJF-WCQYABFASA-N 0 3 236.359 3.295 20 0 BGADHN CCC[C@@H]1CCC[C@@H]1NCc1cnc(CC)o1 ZINC000453395180 388070153 /nfs/dbraw/zinc/07/01/53/388070153.db2.gz TVCMUMDFQZKWJF-YPMHNXCESA-N 0 3 236.359 3.295 20 0 BGADHN CCc1ncc(CN[C@H]2CCCC[C@@H]2CC)o1 ZINC000453395792 388071400 /nfs/dbraw/zinc/07/14/00/388071400.db2.gz UHCDSDMPVSCYCQ-AAEUAGOBSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1ncc(CN[C@@H]2CCCC[C@H]2CC)o1 ZINC000453395794 388070441 /nfs/dbraw/zinc/07/04/41/388070441.db2.gz UHCDSDMPVSCYCQ-DGCLKSJQSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1ncc(CN[C@@H]2CCCC[C@@H]2CC)o1 ZINC000453395795 388071437 /nfs/dbraw/zinc/07/14/37/388071437.db2.gz UHCDSDMPVSCYCQ-WCQYABFASA-N 0 3 236.359 3.295 20 0 BGADHN CCc1ncc(CN[C@H]2CCCC[C@H]2CC)o1 ZINC000453395796 388070697 /nfs/dbraw/zinc/07/06/97/388070697.db2.gz UHCDSDMPVSCYCQ-YPMHNXCESA-N 0 3 236.359 3.295 20 0 BGADHN C[C@@H](NCC(C)(C)C1=CCCC1)c1ncc[nH]1 ZINC000453396939 488191153 /nfs/dbraw/zinc/19/11/53/488191153.db2.gz LGSPLXFMRBDXEZ-LLVKDONJSA-N 0 3 233.359 3.197 20 0 BGADHN C[C@H](NCC(C)(C)C1=CCCC1)c1ncc[nH]1 ZINC000453396941 488190737 /nfs/dbraw/zinc/19/07/37/488190737.db2.gz LGSPLXFMRBDXEZ-NSHDSACASA-N 0 3 233.359 3.197 20 0 BGADHN C[C@H](N[C@@H](C)[C@H]1CCC[C@@H](C)C1)c1nccn1C ZINC000453397333 388070168 /nfs/dbraw/zinc/07/01/68/388070168.db2.gz IGARQOXQQDWWMO-RFGFWPKPSA-N 0 3 249.402 3.286 20 0 BGADHN C[C@@H](N[C@@H](C)[C@H]1CCC[C@@H](C)C1)c1nccn1C ZINC000453397334 388070506 /nfs/dbraw/zinc/07/05/06/388070506.db2.gz IGARQOXQQDWWMO-RQJABVFESA-N 0 3 249.402 3.286 20 0 BGADHN C[C@@H](N[C@@H](C)[C@@H]1CCC[C@@H](C)C1)c1nccn1C ZINC000453397335 388070586 /nfs/dbraw/zinc/07/05/86/388070586.db2.gz IGARQOXQQDWWMO-XJFOESAGSA-N 0 3 249.402 3.286 20 0 BGADHN C[C@H](N[C@@H](C)[C@@H]1CCC[C@@H](C)C1)c1nccn1C ZINC000453397336 388071445 /nfs/dbraw/zinc/07/14/45/388071445.db2.gz IGARQOXQQDWWMO-ZOBORPQBSA-N 0 3 249.402 3.286 20 0 BGADHN C[C@@H](NCC1(C2CCC2)CCC1)c1nccn1C ZINC000453397905 388070238 /nfs/dbraw/zinc/07/02/38/388070238.db2.gz MCGOXJWALOQSST-GFCCVEGCSA-N 0 3 247.386 3.041 20 0 BGADHN C[C@H](NCC1(C2CCC2)CCC1)c1nccn1C ZINC000453397908 388070106 /nfs/dbraw/zinc/07/01/06/388070106.db2.gz MCGOXJWALOQSST-LBPRGKRZSA-N 0 3 247.386 3.041 20 0 BGADHN CC[C@H](N[C@@H](C)C1CCCC1)c1ccn(C)n1 ZINC000453398395 388072085 /nfs/dbraw/zinc/07/20/85/388072085.db2.gz IYQVMEOGSSVJIW-AAEUAGOBSA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@@H](N[C@@H](C)C1CCCC1)c1ccn(C)n1 ZINC000453398396 388072336 /nfs/dbraw/zinc/07/23/36/388072336.db2.gz IYQVMEOGSSVJIW-WCQYABFASA-N 0 3 235.375 3.040 20 0 BGADHN CCc1ccc([C@H](C)NC[C@H]2CC[C@H](C)O2)o1 ZINC000453402386 388073731 /nfs/dbraw/zinc/07/37/31/388073731.db2.gz FUMPHXXQVDEQNY-GMXVVIOVSA-N 0 3 237.343 3.060 20 0 BGADHN CCc1ccc([C@H](C)NC[C@@H]2CC[C@H](C)O2)o1 ZINC000453402387 388073520 /nfs/dbraw/zinc/07/35/20/388073520.db2.gz FUMPHXXQVDEQNY-GVXVVHGQSA-N 0 3 237.343 3.060 20 0 BGADHN CCc1ccc([C@H](C)NC[C@@H]2CC[C@@H](C)O2)o1 ZINC000453402388 388073794 /nfs/dbraw/zinc/07/37/94/388073794.db2.gz FUMPHXXQVDEQNY-MDZLAQPJSA-N 0 3 237.343 3.060 20 0 BGADHN CCc1ccc([C@H](C)NC[C@H]2CC[C@@H](C)O2)o1 ZINC000453402389 388073555 /nfs/dbraw/zinc/07/35/55/388073555.db2.gz FUMPHXXQVDEQNY-NTZNESFSSA-N 0 3 237.343 3.060 20 0 BGADHN CC[C@]1(C(C)C)C[C@@H]1N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000453402631 388073378 /nfs/dbraw/zinc/07/33/78/388073378.db2.gz AIKTYYYWTSTFDD-GUIRCDHDSA-N 0 3 247.386 3.303 20 0 BGADHN CC[C@]1(C(C)C)C[C@@H]1N[C@H]1C[C@H](C)n2ccnc21 ZINC000453402638 388073173 /nfs/dbraw/zinc/07/31/73/388073173.db2.gz AIKTYYYWTSTFDD-PWNZVWSESA-N 0 3 247.386 3.303 20 0 BGADHN CC[C@]1(C(C)C)C[C@@H]1N[C@@H]1C[C@H](C)n2ccnc21 ZINC000453402641 388073741 /nfs/dbraw/zinc/07/37/41/388073741.db2.gz AIKTYYYWTSTFDD-SFDCQRBFSA-N 0 3 247.386 3.303 20 0 BGADHN CC[C@]1(C(C)C)C[C@@H]1N[C@H]1C[C@@H](C)n2ccnc21 ZINC000453402646 388073963 /nfs/dbraw/zinc/07/39/63/388073963.db2.gz AIKTYYYWTSTFDD-UKTARXLSSA-N 0 3 247.386 3.303 20 0 BGADHN C[C@@H](NCC1(C2CCC2)CCC1)c1ccncn1 ZINC000453402854 388073866 /nfs/dbraw/zinc/07/38/66/388073866.db2.gz PYBFFPYEBIOVSK-GFCCVEGCSA-N 0 3 245.370 3.098 20 0 BGADHN C[C@H](NCC1(C2CCC2)CCC1)c1ccncn1 ZINC000453402855 388073689 /nfs/dbraw/zinc/07/36/89/388073689.db2.gz PYBFFPYEBIOVSK-LBPRGKRZSA-N 0 3 245.370 3.098 20 0 BGADHN C[C@@H](NCC1(C2CCC2)CCC1)c1cnccn1 ZINC000453403917 388073418 /nfs/dbraw/zinc/07/34/18/388073418.db2.gz RCVOAUCHGCWWNS-GFCCVEGCSA-N 0 3 245.370 3.098 20 0 BGADHN C[C@H](NCC1(C2CCC2)CCC1)c1cnccn1 ZINC000453403919 388073722 /nfs/dbraw/zinc/07/37/22/388073722.db2.gz RCVOAUCHGCWWNS-LBPRGKRZSA-N 0 3 245.370 3.098 20 0 BGADHN Cc1cc([C@@H](C)NCCC2CC(F)(F)C2)no1 ZINC000453404657 388074499 /nfs/dbraw/zinc/07/44/99/388074499.db2.gz DQQIMPDXMFZJBQ-SECBINFHSA-N 0 3 244.285 3.069 20 0 BGADHN Cc1cc([C@H](C)NCCC2CC(F)(F)C2)no1 ZINC000453404658 388074405 /nfs/dbraw/zinc/07/44/05/388074405.db2.gz DQQIMPDXMFZJBQ-VIFPVBQESA-N 0 3 244.285 3.069 20 0 BGADHN Cc1cc([C@H](C)N[C@H](C2CC2)C2CCC2)no1 ZINC000453405637 202764331 /nfs/dbraw/zinc/76/43/31/202764331.db2.gz BXFIIGUDKOZIBX-HZMBPMFUSA-N 0 3 234.343 3.212 20 0 BGADHN Cc1cc([C@H](C)N[C@@H](C2CC2)C2CCC2)no1 ZINC000453405643 388075281 /nfs/dbraw/zinc/07/52/81/388075281.db2.gz BXFIIGUDKOZIBX-IINYFYTJSA-N 0 3 234.343 3.212 20 0 BGADHN Cc1cc([C@@H](C)N[C@@H](C2CC2)C2CCC2)no1 ZINC000453405648 388075180 /nfs/dbraw/zinc/07/51/80/388075180.db2.gz BXFIIGUDKOZIBX-QMTHXVAHSA-N 0 3 234.343 3.212 20 0 BGADHN Cc1cc([C@@H](C)N[C@H](C2CC2)C2CCC2)no1 ZINC000453405650 388074563 /nfs/dbraw/zinc/07/45/63/388074563.db2.gz BXFIIGUDKOZIBX-YGRLFVJLSA-N 0 3 234.343 3.212 20 0 BGADHN CCO[C@@H]1CCC[C@H]1N[C@@H](C)c1ccc(C)o1 ZINC000453406725 388075767 /nfs/dbraw/zinc/07/57/67/388075767.db2.gz PIXQMDQVMLFXQW-OUCADQQQSA-N 0 3 237.343 3.196 20 0 BGADHN CCO[C@@H]1CCC[C@H]1N[C@H](C)c1ccc(C)o1 ZINC000453406726 388076308 /nfs/dbraw/zinc/07/63/08/388076308.db2.gz PIXQMDQVMLFXQW-YRGRVCCFSA-N 0 3 237.343 3.196 20 0 BGADHN CC[C@]1(C(C)C)C[C@@H]1N[C@@H](C)c1cc(C)n(C)n1 ZINC000453406882 388075881 /nfs/dbraw/zinc/07/58/81/388075881.db2.gz CZFROVPNPLEHRV-AEGPPILISA-N 0 3 249.402 3.204 20 0 BGADHN CC[C@]1(C(C)C)C[C@H]1N[C@H](C)c1cc(C)n(C)n1 ZINC000453406884 388075967 /nfs/dbraw/zinc/07/59/67/388075967.db2.gz CZFROVPNPLEHRV-BPLDGKMQSA-N 0 3 249.402 3.204 20 0 BGADHN CC[C@]1(C(C)C)C[C@H]1N[C@@H](C)c1cc(C)n(C)n1 ZINC000453406886 388075792 /nfs/dbraw/zinc/07/57/92/388075792.db2.gz CZFROVPNPLEHRV-NWANDNLSSA-N 0 3 249.402 3.204 20 0 BGADHN CC[C@]1(C(C)C)C[C@@H]1N[C@H](C)c1cc(C)n(C)n1 ZINC000453406888 388075482 /nfs/dbraw/zinc/07/54/82/388075482.db2.gz CZFROVPNPLEHRV-VHDGCEQUSA-N 0 3 249.402 3.204 20 0 BGADHN Cc1cc([C@H](C)NC[C@H]2CC[C@H](C)O2)oc1C ZINC000453409888 388076197 /nfs/dbraw/zinc/07/61/97/388076197.db2.gz PFWLGQFMISOTML-GMXVVIOVSA-N 0 3 237.343 3.115 20 0 BGADHN Cc1cc([C@H](C)NC[C@@H]2CC[C@H](C)O2)oc1C ZINC000453409889 388076244 /nfs/dbraw/zinc/07/62/44/388076244.db2.gz PFWLGQFMISOTML-GVXVVHGQSA-N 0 3 237.343 3.115 20 0 BGADHN Cc1cc([C@H](C)NC[C@@H]2CC[C@@H](C)O2)oc1C ZINC000453409890 388075867 /nfs/dbraw/zinc/07/58/67/388075867.db2.gz PFWLGQFMISOTML-MDZLAQPJSA-N 0 3 237.343 3.115 20 0 BGADHN Cc1cc([C@H](C)NC[C@H]2CC[C@@H](C)O2)oc1C ZINC000453409892 388075932 /nfs/dbraw/zinc/07/59/32/388075932.db2.gz PFWLGQFMISOTML-NTZNESFSSA-N 0 3 237.343 3.115 20 0 BGADHN CCC[C@H](NC[C@@H]1CC[C@H](C)O1)c1ccccn1 ZINC000453411244 388076657 /nfs/dbraw/zinc/07/66/57/388076657.db2.gz QMWAYIXLACIDJH-IHRRRGAJSA-N 0 3 248.370 3.080 20 0 BGADHN CCC[C@H](NC[C@H]1CC[C@@H](C)O1)c1ccccn1 ZINC000453411245 202767145 /nfs/dbraw/zinc/76/71/45/202767145.db2.gz QMWAYIXLACIDJH-MCIONIFRSA-N 0 3 248.370 3.080 20 0 BGADHN CCC[C@H](NC[C@H]1CC[C@H](C)O1)c1ccccn1 ZINC000453411246 388076901 /nfs/dbraw/zinc/07/69/01/388076901.db2.gz QMWAYIXLACIDJH-MJBXVCDLSA-N 0 3 248.370 3.080 20 0 BGADHN CCC[C@H](NC[C@@H]1CC[C@@H](C)O1)c1ccccn1 ZINC000453411247 388076887 /nfs/dbraw/zinc/07/68/87/388076887.db2.gz QMWAYIXLACIDJH-RDBSUJKOSA-N 0 3 248.370 3.080 20 0 BGADHN C[C@H](N[C@@H](C)[C@H]1CCC[C@@H](C)C1)c1ccncn1 ZINC000453415855 388078564 /nfs/dbraw/zinc/07/85/64/388078564.db2.gz UFQNDICJFXXAFX-RFGFWPKPSA-N 0 3 247.386 3.342 20 0 BGADHN C[C@@H](N[C@@H](C)[C@H]1CCC[C@@H](C)C1)c1ccncn1 ZINC000453415857 388078641 /nfs/dbraw/zinc/07/86/41/388078641.db2.gz UFQNDICJFXXAFX-RQJABVFESA-N 0 3 247.386 3.342 20 0 BGADHN C[C@@H](N[C@@H](C)[C@@H]1CCC[C@@H](C)C1)c1ccncn1 ZINC000453415859 388077939 /nfs/dbraw/zinc/07/79/39/388077939.db2.gz UFQNDICJFXXAFX-XJFOESAGSA-N 0 3 247.386 3.342 20 0 BGADHN C[C@H](N[C@@H](C)[C@@H]1CCC[C@@H](C)C1)c1ccncn1 ZINC000453415861 386606661 /nfs/dbraw/zinc/60/66/61/386606661.db2.gz UFQNDICJFXXAFX-ZOBORPQBSA-N 0 3 247.386 3.342 20 0 BGADHN CC[C@H](N[C@H](C)CC(C)(C)C)c1nccn1C ZINC000453418190 388079754 /nfs/dbraw/zinc/07/97/54/388079754.db2.gz JBHRYMRCTCCDHK-NEPJUHHUSA-N 0 3 237.391 3.286 20 0 BGADHN CC[C@@H](N[C@@H](C)CC(C)(C)C)c1nccn1C ZINC000453418196 388079555 /nfs/dbraw/zinc/07/95/55/388079555.db2.gz JBHRYMRCTCCDHK-NWDGAFQWSA-N 0 3 237.391 3.286 20 0 BGADHN CC[C@H](N[C@@H](C)CC(C)(C)C)c1nccn1C ZINC000453418207 388079715 /nfs/dbraw/zinc/07/97/15/388079715.db2.gz JBHRYMRCTCCDHK-RYUDHWBXSA-N 0 3 237.391 3.286 20 0 BGADHN CC[C@@H](N[C@H](C)CC(C)(C)C)c1nccn1C ZINC000453418214 388079160 /nfs/dbraw/zinc/07/91/60/388079160.db2.gz JBHRYMRCTCCDHK-VXGBXAGGSA-N 0 3 237.391 3.286 20 0 BGADHN CCO[C@@H]1CCC[C@H]1N[C@@H](C)c1ccsc1 ZINC000453419678 388079462 /nfs/dbraw/zinc/07/94/62/388079462.db2.gz VWPGCMZPVCDKAB-CYZMBNFOSA-N 0 3 239.384 3.356 20 0 BGADHN CCO[C@@H]1CCC[C@H]1N[C@H](C)c1ccsc1 ZINC000453419680 388079229 /nfs/dbraw/zinc/07/92/29/388079229.db2.gz VWPGCMZPVCDKAB-RAIGVLPGSA-N 0 3 239.384 3.356 20 0 BGADHN CCO[C@@H]1CCC[C@H]1N[C@H]1CCCc2occc21 ZINC000453420241 388079940 /nfs/dbraw/zinc/07/99/40/388079940.db2.gz WDNXGYPTIPXHGY-GZBFAFLISA-N 0 3 249.354 3.204 20 0 BGADHN CCO[C@@H]1CCC[C@H]1N[C@@H]1CCCc2occc21 ZINC000453420242 388080026 /nfs/dbraw/zinc/08/00/26/388080026.db2.gz WDNXGYPTIPXHGY-UMVBOHGHSA-N 0 3 249.354 3.204 20 0 BGADHN CCC[C@H](NC[C@H]1CC[C@H](C)O1)c1cccnc1 ZINC000453420668 411491935 /nfs/dbraw/zinc/49/19/35/411491935.db2.gz XWDDBOMRRMHMPM-CFVMTHIKSA-N 0 3 248.370 3.080 20 0 BGADHN CCC[C@H](NC[C@@H]1CC[C@H](C)O1)c1cccnc1 ZINC000453420675 411491814 /nfs/dbraw/zinc/49/18/14/411491814.db2.gz XWDDBOMRRMHMPM-QEJZJMRPSA-N 0 3 248.370 3.080 20 0 BGADHN CCC[C@H](NC[C@@H]1CC[C@@H](C)O1)c1cccnc1 ZINC000453420684 411491274 /nfs/dbraw/zinc/49/12/74/411491274.db2.gz XWDDBOMRRMHMPM-SNPRPXQTSA-N 0 3 248.370 3.080 20 0 BGADHN C[C@@H](NC[C@H]1CCOC(C)(C)C1)c1ccco1 ZINC000453420727 388079664 /nfs/dbraw/zinc/07/96/64/388079664.db2.gz LRKCXLCSZPOFJN-NEPJUHHUSA-N 0 3 237.343 3.135 20 0 BGADHN C[C@H](NC[C@@H]1CCOC(C)(C)C1)c1ccco1 ZINC000453420729 388079907 /nfs/dbraw/zinc/07/99/07/388079907.db2.gz LRKCXLCSZPOFJN-NWDGAFQWSA-N 0 3 237.343 3.135 20 0 BGADHN C[C@H](NC[C@H]1CCOC(C)(C)C1)c1ccco1 ZINC000453420731 388079709 /nfs/dbraw/zinc/07/97/09/388079709.db2.gz LRKCXLCSZPOFJN-RYUDHWBXSA-N 0 3 237.343 3.135 20 0 BGADHN C[C@@H](NC[C@@H]1CCOC(C)(C)C1)c1ccco1 ZINC000453420733 411491948 /nfs/dbraw/zinc/49/19/48/411491948.db2.gz LRKCXLCSZPOFJN-VXGBXAGGSA-N 0 3 237.343 3.135 20 0 BGADHN CCC[C@H](NC[C@H]1CC[C@@H](C)O1)c1cccnc1 ZINC000453420755 398159125 /nfs/dbraw/zinc/15/91/25/398159125.db2.gz XWDDBOMRRMHMPM-YUELXQCFSA-N 0 3 248.370 3.080 20 0 BGADHN Cc1cc([C@@H](C)N[C@@H](C)CC(C)(C)C)nn1C ZINC000453421074 388080589 /nfs/dbraw/zinc/08/05/89/388080589.db2.gz LAXLMLRYMJTZJC-CMPLNLGQSA-N 0 3 237.391 3.204 20 0 BGADHN Cc1cc([C@H](C)N[C@@H](C)CC(C)(C)C)nn1C ZINC000453421075 388080815 /nfs/dbraw/zinc/08/08/15/388080815.db2.gz LAXLMLRYMJTZJC-JQWIXIFHSA-N 0 3 237.391 3.204 20 0 BGADHN Cc1cc([C@H](C)N[C@H](C)CC(C)(C)C)nn1C ZINC000453421076 388079616 /nfs/dbraw/zinc/07/96/16/388079616.db2.gz LAXLMLRYMJTZJC-PWSUYJOCSA-N 0 3 237.391 3.204 20 0 BGADHN Cc1cc([C@@H](C)N[C@H](C)CC(C)(C)C)nn1C ZINC000453421077 388079902 /nfs/dbraw/zinc/07/99/02/388079902.db2.gz LAXLMLRYMJTZJC-ZYHUDNBSSA-N 0 3 237.391 3.204 20 0 BGADHN C[C@H](N[C@@H](C)[C@@H]1CCC[C@@H](C)C1)c1ncc[nH]1 ZINC000453422802 488192243 /nfs/dbraw/zinc/19/22/43/488192243.db2.gz XJEPGLNQVJXREV-MROQNXINSA-N 0 3 235.375 3.275 20 0 BGADHN C[C@H](N[C@@H](C)[C@H]1CCC[C@@H](C)C1)c1ncc[nH]1 ZINC000453422803 488192138 /nfs/dbraw/zinc/19/21/38/488192138.db2.gz XJEPGLNQVJXREV-VOAKCMCISA-N 0 3 235.375 3.275 20 0 BGADHN C[C@@H](N[C@@H](C)[C@H]1CCC[C@@H](C)C1)c1ncc[nH]1 ZINC000453422805 488192094 /nfs/dbraw/zinc/19/20/94/488192094.db2.gz XJEPGLNQVJXREV-XQHKEYJVSA-N 0 3 235.375 3.275 20 0 BGADHN C[C@@H](N[C@@H](C)[C@@H]1CCC[C@@H](C)C1)c1ncc[nH]1 ZINC000453422807 488192112 /nfs/dbraw/zinc/19/21/12/488192112.db2.gz XJEPGLNQVJXREV-YVECIDJPSA-N 0 3 235.375 3.275 20 0 BGADHN C[C@H](N[C@H]1CCn2ccnc21)[C@H]1CCC[C@@H](C)C1 ZINC000453425178 398161475 /nfs/dbraw/zinc/16/14/75/398161475.db2.gz YIKNWDQISAMYQT-RFGFWPKPSA-N 0 3 247.386 3.132 20 0 BGADHN C[C@H](N[C@H]1CCn2ccnc21)[C@@H]1CCC[C@@H](C)C1 ZINC000453425179 398161831 /nfs/dbraw/zinc/16/18/31/398161831.db2.gz YIKNWDQISAMYQT-RQJABVFESA-N 0 3 247.386 3.132 20 0 BGADHN C[C@H](N[C@@H]1CCn2ccnc21)[C@@H]1CCC[C@@H](C)C1 ZINC000453425180 398162507 /nfs/dbraw/zinc/16/25/07/398162507.db2.gz YIKNWDQISAMYQT-XJFOESAGSA-N 0 3 247.386 3.132 20 0 BGADHN C[C@H](N[C@@H]1CCn2ccnc21)[C@H]1CCC[C@@H](C)C1 ZINC000453425185 398162682 /nfs/dbraw/zinc/16/26/82/398162682.db2.gz YIKNWDQISAMYQT-ZOBORPQBSA-N 0 3 247.386 3.132 20 0 BGADHN C[C@H](NCCC1CC(F)(F)C1)c1ccccn1 ZINC000453426083 388081539 /nfs/dbraw/zinc/08/15/39/388081539.db2.gz OLUPEPVZEOLUNC-JTQLQIEISA-N 0 3 240.297 3.168 20 0 BGADHN C[C@@H](NCCC1CC(F)(F)C1)c1ccccn1 ZINC000453426085 202770534 /nfs/dbraw/zinc/77/05/34/202770534.db2.gz OLUPEPVZEOLUNC-SNVBAGLBSA-N 0 3 240.297 3.168 20 0 BGADHN CC[C@H](N[C@H]1C[C@@]1(CC)C(C)C)c1cnn(C)c1 ZINC000453429004 202773697 /nfs/dbraw/zinc/77/36/97/202773697.db2.gz IHXAGRLTITWAAH-KKUMJFAQSA-N 0 3 249.402 3.286 20 0 BGADHN CC[C@H](N[C@@H]1C[C@]1(CC)C(C)C)c1cnn(C)c1 ZINC000453429005 388081036 /nfs/dbraw/zinc/08/10/36/388081036.db2.gz IHXAGRLTITWAAH-RRFJBIMHSA-N 0 3 249.402 3.286 20 0 BGADHN CC[C@H](N[C@H]1C[C@]1(CC)C(C)C)c1cnn(C)c1 ZINC000453429006 388081227 /nfs/dbraw/zinc/08/12/27/388081227.db2.gz IHXAGRLTITWAAH-SOUVJXGZSA-N 0 3 249.402 3.286 20 0 BGADHN CC[C@H](N[C@@H]1C[C@@]1(CC)C(C)C)c1cnn(C)c1 ZINC000453429007 388081060 /nfs/dbraw/zinc/08/10/60/388081060.db2.gz IHXAGRLTITWAAH-ZNMIVQPWSA-N 0 3 249.402 3.286 20 0 BGADHN CC[C@H](N[C@H](C)CC(C)(C)C)c1ccn(C)n1 ZINC000453431424 202772468 /nfs/dbraw/zinc/77/24/68/202772468.db2.gz RNMZRCWUURSCOJ-NEPJUHHUSA-N 0 3 237.391 3.286 20 0 BGADHN CC[C@@H](N[C@@H](C)CC(C)(C)C)c1ccn(C)n1 ZINC000453431425 388081729 /nfs/dbraw/zinc/08/17/29/388081729.db2.gz RNMZRCWUURSCOJ-NWDGAFQWSA-N 0 3 237.391 3.286 20 0 BGADHN CC[C@H](N[C@@H](C)CC(C)(C)C)c1ccn(C)n1 ZINC000453431426 388081508 /nfs/dbraw/zinc/08/15/08/388081508.db2.gz RNMZRCWUURSCOJ-RYUDHWBXSA-N 0 3 237.391 3.286 20 0 BGADHN CC[C@@H](N[C@H](C)CC(C)(C)C)c1ccn(C)n1 ZINC000453431427 388081224 /nfs/dbraw/zinc/08/12/24/388081224.db2.gz RNMZRCWUURSCOJ-VXGBXAGGSA-N 0 3 237.391 3.286 20 0 BGADHN CC[C@H](N[C@@H]1C[C@@]1(CC)C(C)C)c1nccn1C ZINC000453432751 388082432 /nfs/dbraw/zinc/08/24/32/388082432.db2.gz JSRSEBUSVGAWSV-GUTXKFCHSA-N 0 3 249.402 3.286 20 0 BGADHN CC[C@H](N[C@@H]1C[C@]1(CC)C(C)C)c1nccn1C ZINC000453432753 388082121 /nfs/dbraw/zinc/08/21/21/388082121.db2.gz JSRSEBUSVGAWSV-GZBFAFLISA-N 0 3 249.402 3.286 20 0 BGADHN CC[C@H](N[C@H]1C[C@]1(CC)C(C)C)c1nccn1C ZINC000453432755 386615761 /nfs/dbraw/zinc/61/57/61/386615761.db2.gz JSRSEBUSVGAWSV-KCQAQPDRSA-N 0 3 249.402 3.286 20 0 BGADHN CC[C@H](N[C@H]1C[C@@]1(CC)C(C)C)c1nccn1C ZINC000453432757 386621107 /nfs/dbraw/zinc/62/11/07/386621107.db2.gz JSRSEBUSVGAWSV-YDHLFZDLSA-N 0 3 249.402 3.286 20 0 BGADHN C[C@@H](NCCC1CC(F)(F)C1)c1nccs1 ZINC000453434068 386621241 /nfs/dbraw/zinc/62/12/41/386621241.db2.gz SWQDPZGGCLPJPI-MRVPVSSYSA-N 0 3 246.326 3.229 20 0 BGADHN C[C@H](NCCC1CC(F)(F)C1)c1nccs1 ZINC000453434074 386621079 /nfs/dbraw/zinc/62/10/79/386621079.db2.gz SWQDPZGGCLPJPI-QMMMGPOBSA-N 0 3 246.326 3.229 20 0 BGADHN C[C@@H](NCCC1CC(F)(F)C1)c1ccco1 ZINC000453437888 388082242 /nfs/dbraw/zinc/08/22/42/388082242.db2.gz VIGHJLALQJJTDU-SECBINFHSA-N 0 3 229.270 3.366 20 0 BGADHN C[C@H](NCCC1CC(F)(F)C1)c1ccco1 ZINC000453437890 388082295 /nfs/dbraw/zinc/08/22/95/388082295.db2.gz VIGHJLALQJJTDU-VIFPVBQESA-N 0 3 229.270 3.366 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@@H]1C[C@@]1(CC)C(C)C ZINC000453439339 388082176 /nfs/dbraw/zinc/08/21/76/388082176.db2.gz WDXPYNRGDAOONV-GUTXKFCHSA-N 0 3 249.402 3.378 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@@H]1C[C@]1(CC)C(C)C ZINC000453439341 388082451 /nfs/dbraw/zinc/08/24/51/388082451.db2.gz WDXPYNRGDAOONV-GZBFAFLISA-N 0 3 249.402 3.378 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@H]1C[C@]1(CC)C(C)C ZINC000453439345 388082515 /nfs/dbraw/zinc/08/25/15/388082515.db2.gz WDXPYNRGDAOONV-KCQAQPDRSA-N 0 3 249.402 3.378 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@H]1C[C@@]1(CC)C(C)C ZINC000453439348 388082051 /nfs/dbraw/zinc/08/20/51/388082051.db2.gz WDXPYNRGDAOONV-YDHLFZDLSA-N 0 3 249.402 3.378 20 0 BGADHN CC[C@H](N[C@@H](C1CC1)C1CCC1)c1ccn(C)n1 ZINC000453440312 202773138 /nfs/dbraw/zinc/77/31/38/202773138.db2.gz WQNHBHJXTNBGAX-DZGCQCFKSA-N 0 3 247.386 3.040 20 0 BGADHN CC[C@@H](N[C@H](C1CC1)C1CCC1)c1ccn(C)n1 ZINC000453440314 388082904 /nfs/dbraw/zinc/08/29/04/388082904.db2.gz WQNHBHJXTNBGAX-HIFRSBDPSA-N 0 3 247.386 3.040 20 0 BGADHN CC[C@@H](N[C@@H](C1CC1)C1CCC1)c1ccn(C)n1 ZINC000453440315 388082737 /nfs/dbraw/zinc/08/27/37/388082737.db2.gz WQNHBHJXTNBGAX-UKRRQHHQSA-N 0 3 247.386 3.040 20 0 BGADHN CC[C@H](N[C@H](C1CC1)C1CCC1)c1ccn(C)n1 ZINC000453440316 388082857 /nfs/dbraw/zinc/08/28/57/388082857.db2.gz WQNHBHJXTNBGAX-ZFWWWQNUSA-N 0 3 247.386 3.040 20 0 BGADHN CC[C@]1(C(C)C)C[C@@H]1N[C@H](C)c1cn(C)nc1C ZINC000453450402 388083976 /nfs/dbraw/zinc/08/39/76/388083976.db2.gz QUASCXSFOXRBIG-BYCMXARLSA-N 0 3 249.402 3.204 20 0 BGADHN CC[C@]1(C(C)C)C[C@H]1N[C@H](C)c1cn(C)nc1C ZINC000453450403 388084118 /nfs/dbraw/zinc/08/41/18/388084118.db2.gz QUASCXSFOXRBIG-KCPJHIHWSA-N 0 3 249.402 3.204 20 0 BGADHN CC[C@]1(C(C)C)C[C@H]1N[C@@H](C)c1cn(C)nc1C ZINC000453450404 388083495 /nfs/dbraw/zinc/08/34/95/388083495.db2.gz QUASCXSFOXRBIG-NILFDRSVSA-N 0 3 249.402 3.204 20 0 BGADHN CC[C@]1(C(C)C)C[C@@H]1N[C@@H](C)c1cn(C)nc1C ZINC000453450405 388083696 /nfs/dbraw/zinc/08/36/96/388083696.db2.gz QUASCXSFOXRBIG-TUKIKUTGSA-N 0 3 249.402 3.204 20 0 BGADHN CC[C@H](N[C@H]1C[C@]1(CC)C(C)C)c1ccn(C)n1 ZINC000453454410 388083544 /nfs/dbraw/zinc/08/35/44/388083544.db2.gz UCITXZOVIUSPDS-AEGPPILISA-N 0 3 249.402 3.286 20 0 BGADHN CC[C@H](N[C@@H]1C[C@@]1(CC)C(C)C)c1ccn(C)n1 ZINC000453454412 202774579 /nfs/dbraw/zinc/77/45/79/202774579.db2.gz UCITXZOVIUSPDS-CFVMTHIKSA-N 0 3 249.402 3.286 20 0 BGADHN CC[C@H](N[C@@H]1C[C@]1(CC)C(C)C)c1ccn(C)n1 ZINC000453454413 388083794 /nfs/dbraw/zinc/08/37/94/388083794.db2.gz UCITXZOVIUSPDS-NWANDNLSSA-N 0 3 249.402 3.286 20 0 BGADHN CC[C@H](N[C@H]1C[C@@]1(CC)C(C)C)c1ccn(C)n1 ZINC000453454414 388083566 /nfs/dbraw/zinc/08/35/66/388083566.db2.gz UCITXZOVIUSPDS-QEJZJMRPSA-N 0 3 249.402 3.286 20 0 BGADHN CC[C@]1(C(C)C)C[C@H]1N[C@@H](C)c1nccnc1C ZINC000453456645 388083620 /nfs/dbraw/zinc/08/36/20/388083620.db2.gz VAVIQKCYSPZCFB-GZBFAFLISA-N 0 3 247.386 3.260 20 0 BGADHN CC[C@]1(C(C)C)C[C@@H]1N[C@@H](C)c1nccnc1C ZINC000453456646 388083475 /nfs/dbraw/zinc/08/34/75/388083475.db2.gz VAVIQKCYSPZCFB-KCQAQPDRSA-N 0 3 247.386 3.260 20 0 BGADHN CC[C@]1(C(C)C)C[C@H]1N[C@H](C)c1nccnc1C ZINC000453456647 388083702 /nfs/dbraw/zinc/08/37/02/388083702.db2.gz VAVIQKCYSPZCFB-UMVBOHGHSA-N 0 3 247.386 3.260 20 0 BGADHN CC[C@]1(C(C)C)C[C@@H]1N[C@H](C)c1nccnc1C ZINC000453456648 388083897 /nfs/dbraw/zinc/08/38/97/388083897.db2.gz VAVIQKCYSPZCFB-VNHYZAJKSA-N 0 3 247.386 3.260 20 0 BGADHN CCn1cc([C@H](C)N[C@H]2C[C@]2(CC)C(C)C)cn1 ZINC000453457548 388083614 /nfs/dbraw/zinc/08/36/14/388083614.db2.gz VRURPKGVMBRJOU-AEGPPILISA-N 0 3 249.402 3.378 20 0 BGADHN CCn1cc([C@H](C)N[C@@H]2C[C@@]2(CC)C(C)C)cn1 ZINC000453457549 388083815 /nfs/dbraw/zinc/08/38/15/388083815.db2.gz VRURPKGVMBRJOU-CFVMTHIKSA-N 0 3 249.402 3.378 20 0 BGADHN CCn1cc([C@H](C)N[C@@H]2C[C@]2(CC)C(C)C)cn1 ZINC000453457553 388083380 /nfs/dbraw/zinc/08/33/80/388083380.db2.gz VRURPKGVMBRJOU-NWANDNLSSA-N 0 3 249.402 3.378 20 0 BGADHN CCn1cc([C@H](C)N[C@H]2C[C@@]2(CC)C(C)C)cn1 ZINC000453457554 388084194 /nfs/dbraw/zinc/08/41/94/388084194.db2.gz VRURPKGVMBRJOU-QEJZJMRPSA-N 0 3 249.402 3.378 20 0 BGADHN Cc1cc(Br)c(CNC(C)C)s1 ZINC000453565533 388085873 /nfs/dbraw/zinc/08/58/73/388085873.db2.gz DEDIXZWWHANQTF-UHFFFAOYSA-N 0 3 248.189 3.317 20 0 BGADHN CCc1cccc(F)c1CN[C@@H](C)CC ZINC000453568050 388085703 /nfs/dbraw/zinc/08/57/03/388085703.db2.gz INJWXZNQWSNMSV-JTQLQIEISA-N 0 3 209.308 3.276 20 0 BGADHN CCc1cccc(F)c1CN[C@H](C)CC ZINC000453568051 388085682 /nfs/dbraw/zinc/08/56/82/388085682.db2.gz INJWXZNQWSNMSV-SNVBAGLBSA-N 0 3 209.308 3.276 20 0 BGADHN c1nc(CNCC2(C3CCC3)CCC2)cs1 ZINC000453576682 352587497 /nfs/dbraw/zinc/58/74/97/352587497.db2.gz GPCZOXGKFXMXMK-UHFFFAOYSA-N 0 3 236.384 3.203 20 0 BGADHN c1ccc(CNCC2(C3CCC3)CCC2)nc1 ZINC000453578015 388086366 /nfs/dbraw/zinc/08/63/66/388086366.db2.gz IOEGRBQZPLAXRX-UHFFFAOYSA-N 0 3 230.355 3.142 20 0 BGADHN CCc1nocc1CNCC(C)(C)C1=CCCC1 ZINC000453579989 388086666 /nfs/dbraw/zinc/08/66/66/388086666.db2.gz KJSRIRUUAGTWOI-UHFFFAOYSA-N 0 3 248.370 3.463 20 0 BGADHN Cc1ccc(CNCCC2CC(F)(F)C2)o1 ZINC000453581702 388086241 /nfs/dbraw/zinc/08/62/41/388086241.db2.gz AUHQDMRXNSPRLI-UHFFFAOYSA-N 0 3 229.270 3.113 20 0 BGADHN CC(C)(CNCc1ccncc1F)C1=CCCC1 ZINC000453581997 488202354 /nfs/dbraw/zinc/20/23/54/488202354.db2.gz MUHDSIYRBWYEQC-UHFFFAOYSA-N 0 3 248.345 3.447 20 0 BGADHN FC1(F)CC(CCNCc2ccc(Cl)o2)C1 ZINC000453582101 388086504 /nfs/dbraw/zinc/08/65/04/388086504.db2.gz BCNGOLXLTLOITC-UHFFFAOYSA-N 0 3 249.688 3.458 20 0 BGADHN CCc1ccc(CNCCC2CC(F)(F)C2)o1 ZINC000453582170 388086109 /nfs/dbraw/zinc/08/61/09/388086109.db2.gz BOFGPWYHONWVBE-UHFFFAOYSA-N 0 3 243.297 3.367 20 0 BGADHN Fc1cnccc1CNCC1(C2CCC2)CCC1 ZINC000453583567 488202314 /nfs/dbraw/zinc/20/23/14/488202314.db2.gz KLOKUXNHDLIIOI-UHFFFAOYSA-N 0 3 248.345 3.281 20 0 BGADHN Cc1cc(Br)c(CNC2CC2)s1 ZINC000453584139 388087006 /nfs/dbraw/zinc/08/70/06/388087006.db2.gz OSUAJAFFXBTQFQ-UHFFFAOYSA-N 0 3 246.173 3.071 20 0 BGADHN Cc1ccc(CNCC2(C3CCC3)CCC2)nc1 ZINC000453584805 388087470 /nfs/dbraw/zinc/08/74/70/388087470.db2.gz MVYXMAIYOYPICV-UHFFFAOYSA-N 0 3 244.382 3.450 20 0 BGADHN CC[C@@H](C)NCc1conc1Cc1ccccc1 ZINC000453584974 388087288 /nfs/dbraw/zinc/08/72/88/388087288.db2.gz QBYOKLKTLGLUSD-GFCCVEGCSA-N 0 3 244.338 3.154 20 0 BGADHN CC[C@H](C)NCc1conc1Cc1ccccc1 ZINC000453584976 388087490 /nfs/dbraw/zinc/08/74/90/388087490.db2.gz QBYOKLKTLGLUSD-LBPRGKRZSA-N 0 3 244.338 3.154 20 0 BGADHN Cc1ncc(CNCC(C)(C)C2=CCCC2)cn1 ZINC000453585252 388087059 /nfs/dbraw/zinc/08/70/59/388087059.db2.gz SDLRLOLZJSPMCE-UHFFFAOYSA-N 0 3 245.370 3.011 20 0 BGADHN Cc1nocc1CNCC1(C2CCC2)CCC1 ZINC000453585983 388087140 /nfs/dbraw/zinc/08/71/40/388087140.db2.gz PLGGEOBIKWEHTG-UHFFFAOYSA-N 0 3 234.343 3.043 20 0 BGADHN CCc1nocc1CNCC1(C2CCC2)CCC1 ZINC000453586682 388087117 /nfs/dbraw/zinc/08/71/17/388087117.db2.gz QWZXCSVHNOHWGN-UHFFFAOYSA-N 0 3 248.370 3.297 20 0 BGADHN Cc1nocc1CNCC(C)(C)C1=CCCC1 ZINC000453587100 388087575 /nfs/dbraw/zinc/08/75/75/388087575.db2.gz WJZFYYJAXUVLIA-UHFFFAOYSA-N 0 3 234.343 3.209 20 0 BGADHN c1coc(CNCC2(C3CCC3)CCC2)c1 ZINC000453587435 388086925 /nfs/dbraw/zinc/08/69/25/388086925.db2.gz XKRXRODDLHMWDC-UHFFFAOYSA-N 0 3 219.328 3.340 20 0 BGADHN Cc1noc(C)c1CNCC1(C2CCC2)CCC1 ZINC000453588580 202779052 /nfs/dbraw/zinc/77/90/52/202779052.db2.gz YYDHTEXWZSFSHL-UHFFFAOYSA-N 0 3 248.370 3.351 20 0 BGADHN Fc1ccccc1CNCCC1CC(F)(F)C1 ZINC000453589142 388087417 /nfs/dbraw/zinc/08/74/17/388087417.db2.gz MLKZFOXJTMMVPX-UHFFFAOYSA-N 0 3 243.272 3.351 20 0 BGADHN Cc1ccoc1CNCCC1CC(F)(F)C1 ZINC000453592329 388088622 /nfs/dbraw/zinc/08/86/22/388088622.db2.gz SWXPHMJENFHWBK-UHFFFAOYSA-N 0 3 229.270 3.113 20 0 BGADHN C[C@H](CC(C)(C)C)NCc1ccn(C(F)F)n1 ZINC000453594387 388088164 /nfs/dbraw/zinc/08/81/64/388088164.db2.gz BLJULHKZEFZRLK-SECBINFHSA-N 0 3 245.317 3.193 20 0 BGADHN C[C@@H](CC(C)(C)C)NCc1ccn(C(F)F)n1 ZINC000453594388 388089169 /nfs/dbraw/zinc/08/91/69/388089169.db2.gz BLJULHKZEFZRLK-VIFPVBQESA-N 0 3 245.317 3.193 20 0 BGADHN CCc1nocc1CN[C@@H](C)CC(C)(C)C ZINC000453595121 388088272 /nfs/dbraw/zinc/08/82/72/388088272.db2.gz DIXLDHBPLRESEG-JTQLQIEISA-N 0 3 224.348 3.151 20 0 BGADHN CCc1nocc1CN[C@H](C)CC(C)(C)C ZINC000453595122 388088887 /nfs/dbraw/zinc/08/88/87/388088887.db2.gz DIXLDHBPLRESEG-SNVBAGLBSA-N 0 3 224.348 3.151 20 0 BGADHN CCC1CN(Cc2ccc3nc(C)ccc3c2)C1 ZINC000453598466 388090011 /nfs/dbraw/zinc/09/00/11/388090011.db2.gz ACWIBJVGSMXEQK-UHFFFAOYSA-N 0 3 240.350 3.385 20 0 BGADHN CCC1CN(Cc2cccc(OC(C)C)c2)C1 ZINC000453599810 388089736 /nfs/dbraw/zinc/08/97/36/388089736.db2.gz COUCZDHOFZFGDE-UHFFFAOYSA-N 0 3 233.355 3.316 20 0 BGADHN CCC1CN(Cc2cc(F)cc3cccnc32)C1 ZINC000453599901 388090358 /nfs/dbraw/zinc/09/03/58/388090358.db2.gz DAPDFYGTRQPKRW-UHFFFAOYSA-N 0 3 244.313 3.216 20 0 BGADHN CCC1CN(C/C=C/c2ccccc2)C1 ZINC000453600904 388089946 /nfs/dbraw/zinc/08/99/46/388089946.db2.gz FIKUNDLTNLWXHZ-RMKNXTFCSA-N 0 3 201.313 3.042 20 0 BGADHN CCC1CN(C/C=C\c2ccccc2)C1 ZINC000453600905 388090432 /nfs/dbraw/zinc/09/04/32/388090432.db2.gz FIKUNDLTNLWXHZ-TWGQIWQCSA-N 0 3 201.313 3.042 20 0 BGADHN CCC1CN(Cc2cc3ccccc3o2)C1 ZINC000453601343 388089803 /nfs/dbraw/zinc/08/98/03/388089803.db2.gz GUBYCCDULPZLST-UHFFFAOYSA-N 0 3 215.296 3.275 20 0 BGADHN CCC1CN(Cc2ccc(OC(C)C)cc2)C1 ZINC000453601417 388090049 /nfs/dbraw/zinc/09/00/49/388090049.db2.gz HLJLFTSWOHPBIL-UHFFFAOYSA-N 0 3 233.355 3.316 20 0 BGADHN CCC1CN(C/C(C)=C\c2ccccc2)C1 ZINC000453601884 388089911 /nfs/dbraw/zinc/08/99/11/388089911.db2.gz IITBQUIAHXOGJE-LCYFTJDESA-N 0 3 215.340 3.432 20 0 BGADHN CCC1CN(C/C(C)=C/c2ccccc2)C1 ZINC000453601885 388090451 /nfs/dbraw/zinc/09/04/51/388090451.db2.gz IITBQUIAHXOGJE-UKTHLTGXSA-N 0 3 215.340 3.432 20 0 BGADHN CCC1CN(Cc2coc3ccccc23)C1 ZINC000453602636 388091331 /nfs/dbraw/zinc/09/13/31/388091331.db2.gz JXXPABWBYGIINW-UHFFFAOYSA-N 0 3 215.296 3.275 20 0 BGADHN CC[C@@]1(C(C)C)C[C@@H]1NCc1ccncc1F ZINC000453603173 488203408 /nfs/dbraw/zinc/20/34/08/488203408.db2.gz ASTFVVSDHBTEKE-KBPBESRZSA-N 0 3 236.334 3.135 20 0 BGADHN CC[C@@]1(C(C)C)C[C@H]1NCc1ccncc1F ZINC000453603174 488203674 /nfs/dbraw/zinc/20/36/74/488203674.db2.gz ASTFVVSDHBTEKE-KGLIPLIRSA-N 0 3 236.334 3.135 20 0 BGADHN CC[C@]1(C(C)C)C[C@@H]1NCc1ccncc1F ZINC000453603176 488203591 /nfs/dbraw/zinc/20/35/91/488203591.db2.gz ASTFVVSDHBTEKE-UONOGXRCSA-N 0 3 236.334 3.135 20 0 BGADHN CC[C@]1(C(C)C)C[C@H]1NCc1ccncc1F ZINC000453603178 488203130 /nfs/dbraw/zinc/20/31/30/488203130.db2.gz ASTFVVSDHBTEKE-ZIAGYGMSSA-N 0 3 236.334 3.135 20 0 BGADHN CC[C@@]1(C(C)C)C[C@H]1NCc1ccc(C)nc1 ZINC000453603235 488203549 /nfs/dbraw/zinc/20/35/49/488203549.db2.gz AYBHRYTYVMZRKA-CABCVRRESA-N 0 3 232.371 3.304 20 0 BGADHN CC[C@@]1(C(C)C)C[C@@H]1NCc1ccc(C)nc1 ZINC000453603236 488203628 /nfs/dbraw/zinc/20/36/28/488203628.db2.gz AYBHRYTYVMZRKA-GJZGRUSLSA-N 0 3 232.371 3.304 20 0 BGADHN CC[C@]1(C(C)C)C[C@H]1NCc1ccc(C)nc1 ZINC000453603237 488203177 /nfs/dbraw/zinc/20/31/77/488203177.db2.gz AYBHRYTYVMZRKA-HUUCEWRRSA-N 0 3 232.371 3.304 20 0 BGADHN CC[C@]1(C(C)C)C[C@@H]1NCc1ccc(C)nc1 ZINC000453603238 488203556 /nfs/dbraw/zinc/20/35/56/488203556.db2.gz AYBHRYTYVMZRKA-LSDHHAIUSA-N 0 3 232.371 3.304 20 0 BGADHN C[C@@H](CC(C)(C)C)NCc1ccncc1F ZINC000453603879 488203449 /nfs/dbraw/zinc/20/34/49/488203449.db2.gz QQYVYCDAHWCSJN-JTQLQIEISA-N 0 3 224.323 3.135 20 0 BGADHN C[C@H](CC(C)(C)C)NCc1ccncc1F ZINC000453603881 488203300 /nfs/dbraw/zinc/20/33/00/488203300.db2.gz QQYVYCDAHWCSJN-SNVBAGLBSA-N 0 3 224.323 3.135 20 0 BGADHN CCC1CN(Cc2ccc(OC(F)F)cc2)C1 ZINC000453604163 388091126 /nfs/dbraw/zinc/09/11/26/388091126.db2.gz MGPKKLPWRIMLKZ-UHFFFAOYSA-N 0 3 241.281 3.130 20 0 BGADHN CCC1CN(Cc2cc(C)c3ncccc3c2)C1 ZINC000453604166 388090892 /nfs/dbraw/zinc/09/08/92/388090892.db2.gz MHEJUKUXRJEWGM-UHFFFAOYSA-N 0 3 240.350 3.385 20 0 BGADHN CCC1CN(Cc2ccc3nc(C)sc3c2)C1 ZINC000453604170 202783626 /nfs/dbraw/zinc/78/36/26/202783626.db2.gz MINHNZOOQWDSNE-UHFFFAOYSA-N 0 3 246.379 3.447 20 0 BGADHN CCC1CN(Cc2ccccc2OCC2CC2)C1 ZINC000453605310 388090908 /nfs/dbraw/zinc/09/09/08/388090908.db2.gz OAZUIXCNHJVSAP-UHFFFAOYSA-N 0 3 245.366 3.317 20 0 BGADHN CCC1CN(Cc2cccc(OC(F)F)c2)C1 ZINC000453605840 388090848 /nfs/dbraw/zinc/09/08/48/388090848.db2.gz PFYMZPUFTSIIHT-UHFFFAOYSA-N 0 3 241.281 3.130 20 0 BGADHN CCC1CN(C/C=C\c2ccc(F)cc2)C1 ZINC000453605872 388091673 /nfs/dbraw/zinc/09/16/73/388091673.db2.gz PKAMKMDQURPWHO-ARJAWSKDSA-N 0 3 219.303 3.181 20 0 BGADHN CCC1CN(C/C=C/c2ccc(F)cc2)C1 ZINC000453605873 388091452 /nfs/dbraw/zinc/09/14/52/388091452.db2.gz PKAMKMDQURPWHO-ONEGZZNKSA-N 0 3 219.303 3.181 20 0 BGADHN CCC1CN(Cc2ccc(F)c3cccnc23)C1 ZINC000453605878 388091616 /nfs/dbraw/zinc/09/16/16/388091616.db2.gz PMMKBDHRCKHPAR-UHFFFAOYSA-N 0 3 244.313 3.216 20 0 BGADHN CCC1CN(Cc2cc3cc(OC)ccc3o2)C1 ZINC000453606410 388091286 /nfs/dbraw/zinc/09/12/86/388091286.db2.gz PYLMOTSEVLCXSV-UHFFFAOYSA-N 0 3 245.322 3.283 20 0 BGADHN CCC1CN(Cc2cc3cc(F)ccc3o2)C1 ZINC000453606441 202785426 /nfs/dbraw/zinc/78/54/26/202785426.db2.gz QFSWSYGGTUWWRX-UHFFFAOYSA-N 0 3 233.286 3.414 20 0 BGADHN CCC1CN(Cc2ccc(SC)cc2)C1 ZINC000453606795 388091316 /nfs/dbraw/zinc/09/13/16/388091316.db2.gz RHOZFIPOWOWWQC-UHFFFAOYSA-N 0 3 221.369 3.250 20 0 BGADHN CC[C@]1(C(C)C)C[C@H]1NCc1scnc1C ZINC000453606878 386652437 /nfs/dbraw/zinc/65/24/37/386652437.db2.gz FUTMSCPACNBRNI-CHWSQXEVSA-N 0 3 238.400 3.366 20 0 BGADHN CC[C@@]1(C(C)C)C[C@H]1NCc1scnc1C ZINC000453606879 386652458 /nfs/dbraw/zinc/65/24/58/386652458.db2.gz FUTMSCPACNBRNI-OLZOCXBDSA-N 0 3 238.400 3.366 20 0 BGADHN CC[C@]1(C(C)C)C[C@@H]1NCc1scnc1C ZINC000453606880 200794441 /nfs/dbraw/zinc/79/44/41/200794441.db2.gz FUTMSCPACNBRNI-QWHCGFSZSA-N 0 3 238.400 3.366 20 0 BGADHN CC[C@@]1(C(C)C)C[C@@H]1NCc1scnc1C ZINC000453606881 386652914 /nfs/dbraw/zinc/65/29/14/386652914.db2.gz FUTMSCPACNBRNI-STQMWFEESA-N 0 3 238.400 3.366 20 0 BGADHN CCc1cc(OC)ccc1CN1CC(CC)C1 ZINC000453607729 388091381 /nfs/dbraw/zinc/09/13/81/388091381.db2.gz HAFGIYPNUFBEPA-UHFFFAOYSA-N 0 3 233.355 3.099 20 0 BGADHN CCc1nocc1CN[C@H]1C[C@@]1(CC)C(C)C ZINC000453607783 388092351 /nfs/dbraw/zinc/09/23/51/388092351.db2.gz HMEGCNGTKDFGQM-KBPBESRZSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1nocc1CN[C@@H]1C[C@@]1(CC)C(C)C ZINC000453607784 388092105 /nfs/dbraw/zinc/09/21/05/388092105.db2.gz HMEGCNGTKDFGQM-KGLIPLIRSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1nocc1CN[C@H]1C[C@]1(CC)C(C)C ZINC000453607785 388091680 /nfs/dbraw/zinc/09/16/80/388091680.db2.gz HMEGCNGTKDFGQM-UONOGXRCSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1nocc1CN[C@@H]1C[C@]1(CC)C(C)C ZINC000453607786 388091297 /nfs/dbraw/zinc/09/12/97/388091297.db2.gz HMEGCNGTKDFGQM-ZIAGYGMSSA-N 0 3 236.359 3.151 20 0 BGADHN CC[C@]1(C(C)C)C[C@H]1NCc1ccco1 ZINC000453608716 388092597 /nfs/dbraw/zinc/09/25/97/388092597.db2.gz IFAFYCKJJJJJCY-CHWSQXEVSA-N 0 3 207.317 3.194 20 0 BGADHN CC[C@@]1(C(C)C)C[C@H]1NCc1ccco1 ZINC000453608717 388092807 /nfs/dbraw/zinc/09/28/07/388092807.db2.gz IFAFYCKJJJJJCY-OLZOCXBDSA-N 0 3 207.317 3.194 20 0 BGADHN CC[C@]1(C(C)C)C[C@@H]1NCc1ccco1 ZINC000453608719 388092120 /nfs/dbraw/zinc/09/21/20/388092120.db2.gz IFAFYCKJJJJJCY-QWHCGFSZSA-N 0 3 207.317 3.194 20 0 BGADHN CC[C@@]1(C(C)C)C[C@@H]1NCc1ccco1 ZINC000453608720 202783540 /nfs/dbraw/zinc/78/35/40/202783540.db2.gz IFAFYCKJJJJJCY-STQMWFEESA-N 0 3 207.317 3.194 20 0 BGADHN CC[C@]1(C(C)C)C[C@H]1NCc1cnc(C)s1 ZINC000453609498 388092662 /nfs/dbraw/zinc/09/26/62/388092662.db2.gz JDGBGRWQJSUTLE-CHWSQXEVSA-N 0 3 238.400 3.366 20 0 BGADHN CC[C@@]1(C(C)C)C[C@H]1NCc1cnc(C)s1 ZINC000453609500 388092440 /nfs/dbraw/zinc/09/24/40/388092440.db2.gz JDGBGRWQJSUTLE-OLZOCXBDSA-N 0 3 238.400 3.366 20 0 BGADHN CC[C@]1(C(C)C)C[C@@H]1NCc1cnc(C)s1 ZINC000453609503 388091974 /nfs/dbraw/zinc/09/19/74/388091974.db2.gz JDGBGRWQJSUTLE-QWHCGFSZSA-N 0 3 238.400 3.366 20 0 BGADHN CC[C@@]1(C(C)C)C[C@@H]1NCc1cnc(C)s1 ZINC000453609506 388092406 /nfs/dbraw/zinc/09/24/06/388092406.db2.gz JDGBGRWQJSUTLE-STQMWFEESA-N 0 3 238.400 3.366 20 0 BGADHN CCC1CN(CCSCc2ccccc2)C1 ZINC000453609906 388092649 /nfs/dbraw/zinc/09/26/49/388092649.db2.gz WZTWQEYJOSKCJX-UHFFFAOYSA-N 0 3 235.396 3.262 20 0 BGADHN CC[C@]1(C(C)C)C[C@@H]1NCc1ccc(OC)nc1 ZINC000453611141 388092006 /nfs/dbraw/zinc/09/20/06/388092006.db2.gz LHIVWNKUJOCZGL-DZGCQCFKSA-N 0 3 248.370 3.005 20 0 BGADHN CC[C@@]1(C(C)C)C[C@H]1NCc1ccc(OC)nc1 ZINC000453611143 388092321 /nfs/dbraw/zinc/09/23/21/388092321.db2.gz LHIVWNKUJOCZGL-HIFRSBDPSA-N 0 3 248.370 3.005 20 0 BGADHN CC[C@]1(C(C)C)C[C@H]1NCc1ccc(OC)nc1 ZINC000453611145 388091917 /nfs/dbraw/zinc/09/19/17/388091917.db2.gz LHIVWNKUJOCZGL-UKRRQHHQSA-N 0 3 248.370 3.005 20 0 BGADHN CC[C@@]1(C(C)C)C[C@@H]1NCc1ccc(OC)nc1 ZINC000453611147 388092674 /nfs/dbraw/zinc/09/26/74/388092674.db2.gz LHIVWNKUJOCZGL-ZFWWWQNUSA-N 0 3 248.370 3.005 20 0 BGADHN CC[C@@]1(C(C)C)C[C@@H]1NCc1cncc(F)c1 ZINC000453611260 388092361 /nfs/dbraw/zinc/09/23/61/388092361.db2.gz MCMDFUMZLDXBMV-KBPBESRZSA-N 0 3 236.334 3.135 20 0 BGADHN CC[C@@]1(C(C)C)C[C@H]1NCc1cncc(F)c1 ZINC000453611261 202784878 /nfs/dbraw/zinc/78/48/78/202784878.db2.gz MCMDFUMZLDXBMV-KGLIPLIRSA-N 0 3 236.334 3.135 20 0 BGADHN CC[C@]1(C(C)C)C[C@@H]1NCc1cncc(F)c1 ZINC000453611262 388092444 /nfs/dbraw/zinc/09/24/44/388092444.db2.gz MCMDFUMZLDXBMV-UONOGXRCSA-N 0 3 236.334 3.135 20 0 BGADHN CC[C@]1(C(C)C)C[C@H]1NCc1cncc(F)c1 ZINC000453611263 388092042 /nfs/dbraw/zinc/09/20/42/388092042.db2.gz MCMDFUMZLDXBMV-ZIAGYGMSSA-N 0 3 236.334 3.135 20 0 BGADHN CC[C@@]1(C(C)C)C[C@H]1NCc1cccnc1C ZINC000453612875 388092243 /nfs/dbraw/zinc/09/22/43/388092243.db2.gz NLTCDYKOXGUFQH-CABCVRRESA-N 0 3 232.371 3.304 20 0 BGADHN CC[C@@]1(C(C)C)C[C@@H]1NCc1cccnc1C ZINC000453612876 388091930 /nfs/dbraw/zinc/09/19/30/388091930.db2.gz NLTCDYKOXGUFQH-GJZGRUSLSA-N 0 3 232.371 3.304 20 0 BGADHN CC[C@]1(C(C)C)C[C@H]1NCc1cccnc1C ZINC000453612877 388091944 /nfs/dbraw/zinc/09/19/44/388091944.db2.gz NLTCDYKOXGUFQH-HUUCEWRRSA-N 0 3 232.371 3.304 20 0 BGADHN CC[C@]1(C(C)C)C[C@@H]1NCc1cccnc1C ZINC000453612878 388092568 /nfs/dbraw/zinc/09/25/68/388092568.db2.gz NLTCDYKOXGUFQH-LSDHHAIUSA-N 0 3 232.371 3.304 20 0 BGADHN CC[C@@]1(C(C)C)C[C@H]1NCc1ccnn1C(C)C ZINC000453613856 202785678 /nfs/dbraw/zinc/78/56/78/202785678.db2.gz PIJMNRYPUFPAOW-CABCVRRESA-N 0 3 249.402 3.378 20 0 BGADHN CC[C@@]1(C(C)C)C[C@@H]1NCc1ccnn1C(C)C ZINC000453614570 202785621 /nfs/dbraw/zinc/78/56/21/202785621.db2.gz PIJMNRYPUFPAOW-GJZGRUSLSA-N 0 3 249.402 3.378 20 0 BGADHN CC[C@]1(C(C)C)C[C@H]1NCc1ccnn1C(C)C ZINC000453614571 388092762 /nfs/dbraw/zinc/09/27/62/388092762.db2.gz PIJMNRYPUFPAOW-HUUCEWRRSA-N 0 3 249.402 3.378 20 0 BGADHN CC[C@]1(C(C)C)C[C@@H]1NCc1ccnn1C(C)C ZINC000453614572 388092038 /nfs/dbraw/zinc/09/20/38/388092038.db2.gz PIJMNRYPUFPAOW-LSDHHAIUSA-N 0 3 249.402 3.378 20 0 BGADHN CC[C@@]1(C(C)C)C[C@H]1NCc1cncs1 ZINC000453614632 388091895 /nfs/dbraw/zinc/09/18/95/388091895.db2.gz QBEQMSHJMQOAMA-NEPJUHHUSA-N 0 3 224.373 3.057 20 0 BGADHN CC[C@]1(C(C)C)C[C@@H]1NCc1cncs1 ZINC000453614633 388091979 /nfs/dbraw/zinc/09/19/79/388091979.db2.gz QBEQMSHJMQOAMA-NWDGAFQWSA-N 0 3 224.373 3.057 20 0 BGADHN CC[C@@]1(C(C)C)C[C@@H]1NCc1cncs1 ZINC000453614634 388092375 /nfs/dbraw/zinc/09/23/75/388092375.db2.gz QBEQMSHJMQOAMA-RYUDHWBXSA-N 0 3 224.373 3.057 20 0 BGADHN CC[C@]1(C(C)C)C[C@H]1NCc1cncs1 ZINC000453614635 388091995 /nfs/dbraw/zinc/09/19/95/388091995.db2.gz QBEQMSHJMQOAMA-VXGBXAGGSA-N 0 3 224.373 3.057 20 0 BGADHN CC[C@@]1(C(C)C)C[C@H]1NCc1cccc(O)c1 ZINC000453614661 398165670 /nfs/dbraw/zinc/16/56/70/398165670.db2.gz QGTPIXSETPBWDV-CABCVRRESA-N 0 3 233.355 3.307 20 0 BGADHN CC[C@@]1(C(C)C)C[C@@H]1NCc1cccc(O)c1 ZINC000453614664 398165747 /nfs/dbraw/zinc/16/57/47/398165747.db2.gz QGTPIXSETPBWDV-GJZGRUSLSA-N 0 3 233.355 3.307 20 0 BGADHN CC[C@]1(C(C)C)C[C@H]1NCc1cccc(O)c1 ZINC000453614669 398166068 /nfs/dbraw/zinc/16/60/68/398166068.db2.gz QGTPIXSETPBWDV-HUUCEWRRSA-N 0 3 233.355 3.307 20 0 BGADHN CC[C@]1(C(C)C)C[C@@H]1NCc1cccc(O)c1 ZINC000453614675 200794389 /nfs/dbraw/zinc/79/43/89/200794389.db2.gz QGTPIXSETPBWDV-LSDHHAIUSA-N 0 3 233.355 3.307 20 0 BGADHN CC[C@]1(C(C)C)C[C@@H]1NCc1cccc(OC)n1 ZINC000453615379 388093638 /nfs/dbraw/zinc/09/36/38/388093638.db2.gz QKSQITACYVDQPU-DZGCQCFKSA-N 0 3 248.370 3.005 20 0 BGADHN CC[C@@]1(C(C)C)C[C@H]1NCc1cccc(OC)n1 ZINC000453615380 388093151 /nfs/dbraw/zinc/09/31/51/388093151.db2.gz QKSQITACYVDQPU-HIFRSBDPSA-N 0 3 248.370 3.005 20 0 BGADHN CC[C@]1(C(C)C)C[C@H]1NCc1cccc(OC)n1 ZINC000453615381 388093498 /nfs/dbraw/zinc/09/34/98/388093498.db2.gz QKSQITACYVDQPU-UKRRQHHQSA-N 0 3 248.370 3.005 20 0 BGADHN CC[C@@]1(C(C)C)C[C@@H]1NCc1cccc(OC)n1 ZINC000453615382 388093583 /nfs/dbraw/zinc/09/35/83/388093583.db2.gz QKSQITACYVDQPU-ZFWWWQNUSA-N 0 3 248.370 3.005 20 0 BGADHN CCCn1cc(CN[C@@H]2C[C@@]2(CC)C(C)C)cn1 ZINC000453616209 388093324 /nfs/dbraw/zinc/09/33/24/388093324.db2.gz RVPOQOVLBVNFLI-CABCVRRESA-N 0 3 249.402 3.207 20 0 BGADHN CCCn1cc(CN[C@H]2C[C@@]2(CC)C(C)C)cn1 ZINC000453616210 200794402 /nfs/dbraw/zinc/79/44/02/200794402.db2.gz RVPOQOVLBVNFLI-GJZGRUSLSA-N 0 3 249.402 3.207 20 0 BGADHN CCCn1cc(CN[C@@H]2C[C@]2(CC)C(C)C)cn1 ZINC000453616212 411493295 /nfs/dbraw/zinc/49/32/95/411493295.db2.gz RVPOQOVLBVNFLI-HUUCEWRRSA-N 0 3 249.402 3.207 20 0 BGADHN CCCn1cc(CN[C@H]2C[C@]2(CC)C(C)C)cn1 ZINC000453616213 411492933 /nfs/dbraw/zinc/49/29/33/411492933.db2.gz RVPOQOVLBVNFLI-LSDHHAIUSA-N 0 3 249.402 3.207 20 0 BGADHN CC[C@@]1(C(C)C)C[C@H]1NCc1cnccc1C ZINC000453617195 388093228 /nfs/dbraw/zinc/09/32/28/388093228.db2.gz TYHHRJAEPRIOOL-CABCVRRESA-N 0 3 232.371 3.304 20 0 BGADHN CC[C@@]1(C(C)C)C[C@@H]1NCc1cnccc1C ZINC000453617197 388093191 /nfs/dbraw/zinc/09/31/91/388093191.db2.gz TYHHRJAEPRIOOL-GJZGRUSLSA-N 0 3 232.371 3.304 20 0 BGADHN CC[C@]1(C(C)C)C[C@H]1NCc1cnccc1C ZINC000453617198 388093452 /nfs/dbraw/zinc/09/34/52/388093452.db2.gz TYHHRJAEPRIOOL-HUUCEWRRSA-N 0 3 232.371 3.304 20 0 BGADHN CC[C@]1(C(C)C)C[C@@H]1NCc1cnccc1C ZINC000453617200 388093092 /nfs/dbraw/zinc/09/30/92/388093092.db2.gz TYHHRJAEPRIOOL-LSDHHAIUSA-N 0 3 232.371 3.304 20 0 BGADHN CCC1CN(Cc2ccc3occc3c2)C1 ZINC000453617253 388093612 /nfs/dbraw/zinc/09/36/12/388093612.db2.gz RFOBJBLFEYLTET-UHFFFAOYSA-N 0 3 215.296 3.275 20 0 BGADHN CCC1CN(Cc2ccc(OCC3CC3)cc2)C1 ZINC000453617290 388093921 /nfs/dbraw/zinc/09/39/21/388093921.db2.gz RLEUTZQJBSIJSC-UHFFFAOYSA-N 0 3 245.366 3.317 20 0 BGADHN CC[C@@]1(C(C)C)C[C@@H]1NCc1nc(C)cs1 ZINC000453618985 388093043 /nfs/dbraw/zinc/09/30/43/388093043.db2.gz VUMPKNAWAKFGGM-AAEUAGOBSA-N 0 3 238.400 3.366 20 0 BGADHN CC[C@]1(C(C)C)C[C@H]1NCc1nc(C)cs1 ZINC000453618986 388093077 /nfs/dbraw/zinc/09/30/77/388093077.db2.gz VUMPKNAWAKFGGM-DGCLKSJQSA-N 0 3 238.400 3.366 20 0 BGADHN CC[C@]1(C(C)C)C[C@@H]1NCc1nc(C)cs1 ZINC000453618987 388093332 /nfs/dbraw/zinc/09/33/32/388093332.db2.gz VUMPKNAWAKFGGM-WCQYABFASA-N 0 3 238.400 3.366 20 0 BGADHN CC[C@@]1(C(C)C)C[C@H]1NCc1nc(C)cs1 ZINC000453618988 388093444 /nfs/dbraw/zinc/09/34/44/388093444.db2.gz VUMPKNAWAKFGGM-YPMHNXCESA-N 0 3 238.400 3.366 20 0 BGADHN CCC1CN(C[C@H](C)c2cc(F)cc(F)c2)C1 ZINC000453619444 388093562 /nfs/dbraw/zinc/09/35/62/388093562.db2.gz UEBYVBZFYYYKIV-JTQLQIEISA-N 0 3 239.309 3.410 20 0 BGADHN CCC1CN(C[C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000453619445 388093430 /nfs/dbraw/zinc/09/34/30/388093430.db2.gz UEBYVBZFYYYKIV-SNVBAGLBSA-N 0 3 239.309 3.410 20 0 BGADHN CC[C@@]1(C(C)C)C[C@H]1NCc1ccc(C)cn1 ZINC000453619926 388093284 /nfs/dbraw/zinc/09/32/84/388093284.db2.gz WINOKRCTHKIJFH-CABCVRRESA-N 0 3 232.371 3.304 20 0 BGADHN CC[C@@]1(C(C)C)C[C@@H]1NCc1ccc(C)cn1 ZINC000453619927 388093622 /nfs/dbraw/zinc/09/36/22/388093622.db2.gz WINOKRCTHKIJFH-GJZGRUSLSA-N 0 3 232.371 3.304 20 0 BGADHN CC[C@]1(C(C)C)C[C@H]1NCc1ccc(C)cn1 ZINC000453619928 388093306 /nfs/dbraw/zinc/09/33/06/388093306.db2.gz WINOKRCTHKIJFH-HUUCEWRRSA-N 0 3 232.371 3.304 20 0 BGADHN CC[C@]1(C(C)C)C[C@@H]1NCc1ccc(C)cn1 ZINC000453619929 388093911 /nfs/dbraw/zinc/09/39/11/388093911.db2.gz WINOKRCTHKIJFH-LSDHHAIUSA-N 0 3 232.371 3.304 20 0 BGADHN CC[C@@]1(C(C)C)C[C@@H]1NCc1c(C)noc1C ZINC000453622703 202787372 /nfs/dbraw/zinc/78/73/72/202787372.db2.gz ZQJGTBOMYGWTEQ-KBPBESRZSA-N 0 3 236.359 3.206 20 0 BGADHN CC[C@@]1(C(C)C)C[C@H]1NCc1c(C)noc1C ZINC000453622714 388094282 /nfs/dbraw/zinc/09/42/82/388094282.db2.gz ZQJGTBOMYGWTEQ-KGLIPLIRSA-N 0 3 236.359 3.206 20 0 BGADHN CC[C@]1(C(C)C)C[C@@H]1NCc1c(C)noc1C ZINC000453622716 388094639 /nfs/dbraw/zinc/09/46/39/388094639.db2.gz ZQJGTBOMYGWTEQ-UONOGXRCSA-N 0 3 236.359 3.206 20 0 BGADHN CC[C@]1(C(C)C)C[C@H]1NCc1c(C)noc1C ZINC000453622717 388094698 /nfs/dbraw/zinc/09/46/98/388094698.db2.gz ZQJGTBOMYGWTEQ-ZIAGYGMSSA-N 0 3 236.359 3.206 20 0 BGADHN CC[C@@]1(C(C)C)C[C@H]1NCc1cnn(C(C)C)c1 ZINC000453622778 388094350 /nfs/dbraw/zinc/09/43/50/388094350.db2.gz ZVQFYJBKOHREKV-CABCVRRESA-N 0 3 249.402 3.378 20 0 BGADHN CC[C@@]1(C(C)C)C[C@@H]1NCc1cnn(C(C)C)c1 ZINC000453622780 388094449 /nfs/dbraw/zinc/09/44/49/388094449.db2.gz ZVQFYJBKOHREKV-GJZGRUSLSA-N 0 3 249.402 3.378 20 0 BGADHN CC[C@]1(C(C)C)C[C@H]1NCc1cnn(C(C)C)c1 ZINC000453622782 388094311 /nfs/dbraw/zinc/09/43/11/388094311.db2.gz ZVQFYJBKOHREKV-HUUCEWRRSA-N 0 3 249.402 3.378 20 0 BGADHN CC[C@]1(C(C)C)C[C@@H]1NCc1cnn(C(C)C)c1 ZINC000453622783 388094615 /nfs/dbraw/zinc/09/46/15/388094615.db2.gz ZVQFYJBKOHREKV-LSDHHAIUSA-N 0 3 249.402 3.378 20 0 BGADHN CC[C@@]1(C(C)C)C[C@H]1[NH2+]Cc1nc(C)ccc1[O-] ZINC000453622804 388094909 /nfs/dbraw/zinc/09/49/09/388094909.db2.gz ZZLFGPHPGYSWGS-CABCVRRESA-N 0 3 248.370 3.010 20 0 BGADHN CC[C@@]1(C(C)C)C[C@@H]1[NH2+]Cc1nc(C)ccc1[O-] ZINC000453622815 388094852 /nfs/dbraw/zinc/09/48/52/388094852.db2.gz ZZLFGPHPGYSWGS-GJZGRUSLSA-N 0 3 248.370 3.010 20 0 BGADHN CC[C@]1(C(C)C)C[C@H]1[NH2+]Cc1nc(C)ccc1[O-] ZINC000453622816 388094773 /nfs/dbraw/zinc/09/47/73/388094773.db2.gz ZZLFGPHPGYSWGS-HUUCEWRRSA-N 0 3 248.370 3.010 20 0 BGADHN CC[C@]1(C(C)C)C[C@@H]1[NH2+]Cc1nc(C)ccc1[O-] ZINC000453622819 388095036 /nfs/dbraw/zinc/09/50/36/388095036.db2.gz ZZLFGPHPGYSWGS-LSDHHAIUSA-N 0 3 248.370 3.010 20 0 BGADHN C[C@@H]1CC[C@H](CNCc2ccc3occc3c2)O1 ZINC000453627120 388094748 /nfs/dbraw/zinc/09/47/48/388094748.db2.gz HNBYYHWQLMBAJA-BXUZGUMPSA-N 0 3 245.322 3.090 20 0 BGADHN C[C@H]1CC[C@@H](CNCc2ccc3occc3c2)O1 ZINC000453627121 388094636 /nfs/dbraw/zinc/09/46/36/388094636.db2.gz HNBYYHWQLMBAJA-FZMZJTMJSA-N 0 3 245.322 3.090 20 0 BGADHN C[C@@H]1CC[C@@H](CNCc2ccc3occc3c2)O1 ZINC000453627122 388094971 /nfs/dbraw/zinc/09/49/71/388094971.db2.gz HNBYYHWQLMBAJA-RISCZKNCSA-N 0 3 245.322 3.090 20 0 BGADHN C[C@H]1CC[C@H](CNCc2ccc3occc3c2)O1 ZINC000453627123 388094576 /nfs/dbraw/zinc/09/45/76/388094576.db2.gz HNBYYHWQLMBAJA-SMDDNHRTSA-N 0 3 245.322 3.090 20 0 BGADHN C[C@@H]1CC[C@H](CNCc2cccc3ccoc32)O1 ZINC000453632141 388095947 /nfs/dbraw/zinc/09/59/47/388095947.db2.gz OQXCLSZOVWXCLX-BXUZGUMPSA-N 0 3 245.322 3.090 20 0 BGADHN C[C@H]1CC[C@@H](CNCc2cccc3ccoc32)O1 ZINC000453632142 202789171 /nfs/dbraw/zinc/78/91/71/202789171.db2.gz OQXCLSZOVWXCLX-FZMZJTMJSA-N 0 3 245.322 3.090 20 0 BGADHN C[C@@H]1CC[C@@H](CNCc2cccc3ccoc32)O1 ZINC000453632143 388095770 /nfs/dbraw/zinc/09/57/70/388095770.db2.gz OQXCLSZOVWXCLX-RISCZKNCSA-N 0 3 245.322 3.090 20 0 BGADHN C[C@H]1CC[C@H](CNCc2cccc3ccoc32)O1 ZINC000453632144 388095829 /nfs/dbraw/zinc/09/58/29/388095829.db2.gz OQXCLSZOVWXCLX-SMDDNHRTSA-N 0 3 245.322 3.090 20 0 BGADHN CCC(CC)CC(=O)Nc1cc(C)cc(CN)c1 ZINC000457365079 203044478 /nfs/dbraw/zinc/04/44/78/203044478.db2.gz BLKQMLNFANFUCI-UHFFFAOYSA-N 0 3 248.370 3.219 20 0 BGADHN Cc1cc(CN)cc(NC(=O)C[C@@H](C)C(C)C)c1 ZINC000457368276 203047594 /nfs/dbraw/zinc/04/75/94/203047594.db2.gz GKEDCTRHVQSTJB-GFCCVEGCSA-N 0 3 248.370 3.074 20 0 BGADHN Cc1cc(CN)cc(NC(=O)C[C@H](C)C(C)C)c1 ZINC000457368278 203046988 /nfs/dbraw/zinc/04/69/88/203046988.db2.gz GKEDCTRHVQSTJB-LBPRGKRZSA-N 0 3 248.370 3.074 20 0 BGADHN CCC[C@@H](C)CC(=O)Nc1cc(C)cc(CN)c1 ZINC000457375006 203048752 /nfs/dbraw/zinc/04/87/52/203048752.db2.gz LVTXDYUPEIGTTJ-LLVKDONJSA-N 0 3 248.370 3.219 20 0 BGADHN CCC[C@H](C)CC(=O)Nc1cc(C)cc(CN)c1 ZINC000457375009 203048925 /nfs/dbraw/zinc/04/89/25/203048925.db2.gz LVTXDYUPEIGTTJ-NSHDSACASA-N 0 3 248.370 3.219 20 0 BGADHN CC[C@@H](C)[C@H](C)C(=O)Nc1cc(C)cc(CN)c1 ZINC000457387309 203053681 /nfs/dbraw/zinc/05/36/81/203053681.db2.gz XLOUKDJHIHFLDC-NEPJUHHUSA-N 0 3 248.370 3.074 20 0 BGADHN CC[C@H](C)[C@@H](C)C(=O)Nc1cc(C)cc(CN)c1 ZINC000457387310 203052172 /nfs/dbraw/zinc/05/21/72/203052172.db2.gz XLOUKDJHIHFLDC-NWDGAFQWSA-N 0 3 248.370 3.074 20 0 BGADHN CC[C@H](C)[C@H](C)C(=O)Nc1cc(C)cc(CN)c1 ZINC000457387311 203053227 /nfs/dbraw/zinc/05/32/27/203053227.db2.gz XLOUKDJHIHFLDC-RYUDHWBXSA-N 0 3 248.370 3.074 20 0 BGADHN CC[C@@H](C)[C@@H](C)C(=O)Nc1cc(C)cc(CN)c1 ZINC000457387312 203053016 /nfs/dbraw/zinc/05/30/16/203053016.db2.gz XLOUKDJHIHFLDC-VXGBXAGGSA-N 0 3 248.370 3.074 20 0 BGADHN CCCCC(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000458264029 203152401 /nfs/dbraw/zinc/15/24/01/203152401.db2.gz BOHJMXZNQFGQMI-UHFFFAOYSA-N 0 3 248.370 3.185 20 0 BGADHN Cc1cc(NC(=O)C(C)(C)C)ccc1CN(C)C ZINC000458284677 203153883 /nfs/dbraw/zinc/15/38/83/203153883.db2.gz NCKUAYQTWZZDBN-UHFFFAOYSA-N 0 3 248.370 3.041 20 0 BGADHN CC[C@@H](C)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000458286991 203155812 /nfs/dbraw/zinc/15/58/12/203155812.db2.gz PBSCRZMOWGDODD-LLVKDONJSA-N 0 3 248.370 3.041 20 0 BGADHN CC[C@H](C)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000458286993 203154633 /nfs/dbraw/zinc/15/46/33/203154633.db2.gz PBSCRZMOWGDODD-NSHDSACASA-N 0 3 248.370 3.041 20 0 BGADHN Cc1cc(NC(=O)CC(C)C)ccc1CN(C)C ZINC000458325842 203162049 /nfs/dbraw/zinc/16/20/49/203162049.db2.gz TWZRZBGBUQZODS-UHFFFAOYSA-N 0 3 248.370 3.041 20 0 BGADHN CC[C@H]1CCCCN1Cc1cnc(C2CC2)nc1 ZINC000459290147 203246741 /nfs/dbraw/zinc/24/67/41/203246741.db2.gz HJHMOOMILTYXEP-AWEZNQCLSA-N 0 3 245.370 3.119 20 0 BGADHN CC[C@@H]1CCCCN1Cc1cnc(C2CC2)nc1 ZINC000459290150 203246981 /nfs/dbraw/zinc/24/69/81/203246981.db2.gz HJHMOOMILTYXEP-CQSZACIVSA-N 0 3 245.370 3.119 20 0 BGADHN CCCCN(Cc1cnc(C2CC2)nc1)C1CC1 ZINC000459291239 203247667 /nfs/dbraw/zinc/24/76/67/203247667.db2.gz DAMBHNLABUBEMX-UHFFFAOYSA-N 0 3 245.370 3.119 20 0 BGADHN CN(Cc1ccc(C2CC2)cc1)C1CC1 ZINC000459293561 203250324 /nfs/dbraw/zinc/25/03/24/203250324.db2.gz FVCALDHBPISOJF-UHFFFAOYSA-N 0 3 201.313 3.158 20 0 BGADHN CCCN(Cc1cnc(C2CC2)nc1)CC(C)C ZINC000459295582 387927294 /nfs/dbraw/zinc/92/72/94/387927294.db2.gz GKQZVJGSVUCKSI-UHFFFAOYSA-N 0 3 247.386 3.222 20 0 BGADHN COC1CCN(Cc2ccc(C3CC3)cc2)CC1 ZINC000459299933 203250972 /nfs/dbraw/zinc/25/09/72/203250972.db2.gz IFAYOAHDNDLDON-UHFFFAOYSA-N 0 3 245.366 3.175 20 0 BGADHN COCCN(Cc1ccc(C2CC2)cc1)C1CC1 ZINC000459300689 203250830 /nfs/dbraw/zinc/25/08/30/203250830.db2.gz MBBCPFNZFRSGJF-UHFFFAOYSA-N 0 3 245.366 3.175 20 0 BGADHN CN(Cc1cnc(C2CC2)nc1)C1CCCCC1 ZINC000459303637 203252124 /nfs/dbraw/zinc/25/21/24/203252124.db2.gz UHMSTYRHVCZGAR-UHFFFAOYSA-N 0 3 245.370 3.119 20 0 BGADHN CCN(Cc1cnc(C2CC2)nc1)C1CCCC1 ZINC000459305946 203252929 /nfs/dbraw/zinc/25/29/29/203252929.db2.gz RCZCYCOHQUKCSR-UHFFFAOYSA-N 0 3 245.370 3.119 20 0 BGADHN CCN(CCOC)Cc1ccc(C2CC2)cc1 ZINC000459313088 203256150 /nfs/dbraw/zinc/25/61/50/203256150.db2.gz OMXMTLDUKPHLOQ-UHFFFAOYSA-N 0 3 233.355 3.032 20 0 BGADHN CO[C@H]1CCCN(Cc2ccc(C3CC3)cc2)C1 ZINC000459314399 203256053 /nfs/dbraw/zinc/25/60/53/203256053.db2.gz ZFCNKMOFTPFFNN-INIZCTEOSA-N 0 3 245.366 3.175 20 0 BGADHN CO[C@@H]1CCCN(Cc2ccc(C3CC3)cc2)C1 ZINC000459314400 203255974 /nfs/dbraw/zinc/25/59/74/203255974.db2.gz ZFCNKMOFTPFFNN-MRXNPFEDSA-N 0 3 245.366 3.175 20 0 BGADHN c1cc(C2CC2)ccc1CN1CCSCC1 ZINC000459315673 203254451 /nfs/dbraw/zinc/25/44/51/203254451.db2.gz RUHMBKRPDRSVSO-UHFFFAOYSA-N 0 3 233.380 3.113 20 0 BGADHN CC(C)OC1CC(N(C)Cc2cccs2)C1 ZINC000459316307 203255449 /nfs/dbraw/zinc/25/54/49/203255449.db2.gz YEDATRYAQPBPTB-UHFFFAOYSA-N 0 3 239.384 3.136 20 0 BGADHN COC[C@@H](C)N(C)Cc1ccc(C2CC2)cc1 ZINC000459318331 203254955 /nfs/dbraw/zinc/25/49/55/203254955.db2.gz CBZKZBATUOJMNV-GFCCVEGCSA-N 0 3 233.355 3.031 20 0 BGADHN COC[C@H](C)N(C)Cc1ccc(C2CC2)cc1 ZINC000459318332 203256008 /nfs/dbraw/zinc/25/60/08/203256008.db2.gz CBZKZBATUOJMNV-LBPRGKRZSA-N 0 3 233.355 3.031 20 0 BGADHN CN(Cc1ccc(C2CC2)cc1)C[C@@H]1CCCO1 ZINC000459318567 203254822 /nfs/dbraw/zinc/25/48/22/203254822.db2.gz VLZSZWWAXNSCIJ-INIZCTEOSA-N 0 3 245.366 3.175 20 0 BGADHN CN(Cc1ccc(C2CC2)cc1)C[C@H]1CCCO1 ZINC000459318569 203256393 /nfs/dbraw/zinc/25/63/93/203256393.db2.gz VLZSZWWAXNSCIJ-MRXNPFEDSA-N 0 3 245.366 3.175 20 0 BGADHN CCN(Cc1cnc(C2CC2)nc1)[C@H](C)C(C)C ZINC000459321068 203255328 /nfs/dbraw/zinc/25/53/28/203255328.db2.gz GOKKEJXBAUGWHF-GFCCVEGCSA-N 0 3 247.386 3.220 20 0 BGADHN CCN(Cc1cnc(C2CC2)nc1)[C@@H](C)C(C)C ZINC000459321069 203256088 /nfs/dbraw/zinc/25/60/88/203256088.db2.gz GOKKEJXBAUGWHF-LBPRGKRZSA-N 0 3 247.386 3.220 20 0 BGADHN C[C@@H]1CN(Cc2ccc(C3CC3)cc2)CCCO1 ZINC000459321137 203254251 /nfs/dbraw/zinc/25/42/51/203254251.db2.gz AGKARBREERKROS-CYBMUJFWSA-N 0 3 245.366 3.175 20 0 BGADHN C[C@H]1CN(Cc2ccc(C3CC3)cc2)CCCO1 ZINC000459321138 203254371 /nfs/dbraw/zinc/25/43/71/203254371.db2.gz AGKARBREERKROS-ZDUSSCGKSA-N 0 3 245.366 3.175 20 0 BGADHN C[C@H]1CN(CC2CCC(F)(F)CC2)CCS1 ZINC000459321196 203255056 /nfs/dbraw/zinc/25/50/56/203255056.db2.gz ASOVYCANIWHCPU-JTQLQIEISA-N 0 3 249.370 3.249 20 0 BGADHN C[C@@H]1CN(CC2CCC(F)(F)CC2)CCS1 ZINC000459321204 203254360 /nfs/dbraw/zinc/25/43/60/203254360.db2.gz ASOVYCANIWHCPU-SNVBAGLBSA-N 0 3 249.370 3.249 20 0 BGADHN CC(C)CN(Cc1cnc(C2CC2)nc1)C(C)C ZINC000459328162 203258775 /nfs/dbraw/zinc/25/87/75/203258775.db2.gz OPFOKKCSUROAHJ-UHFFFAOYSA-N 0 3 247.386 3.220 20 0 BGADHN C[C@@H]1CCN(CCc2cccc(Cl)c2)C1 ZINC000459328486 203257279 /nfs/dbraw/zinc/25/72/79/203257279.db2.gz QBBDLUKTHAASCW-LLVKDONJSA-N 0 3 223.747 3.224 20 0 BGADHN C[C@H]1CCN(CCc2cccc(Cl)c2)C1 ZINC000459328487 203258995 /nfs/dbraw/zinc/25/89/95/203258995.db2.gz QBBDLUKTHAASCW-NSHDSACASA-N 0 3 223.747 3.224 20 0 BGADHN C[C@H]1COCCN(Cc2ccc(C3CC3)cc2)C1 ZINC000459337731 203259790 /nfs/dbraw/zinc/25/97/90/203259790.db2.gz FVFKFTTZNCUVJX-CYBMUJFWSA-N 0 3 245.366 3.032 20 0 BGADHN C[C@@H]1COCCN(Cc2ccc(C3CC3)cc2)C1 ZINC000459337732 203262842 /nfs/dbraw/zinc/26/28/42/203262842.db2.gz FVFKFTTZNCUVJX-ZDUSSCGKSA-N 0 3 245.366 3.032 20 0 BGADHN CN(C)Cc1cccc(NC2CC3(CCC3)C2)c1 ZINC000459343675 203262387 /nfs/dbraw/zinc/26/23/87/203262387.db2.gz MJFWCGNRQSYGNZ-UHFFFAOYSA-N 0 3 244.382 3.493 20 0 BGADHN Clc1cccc(CCN2C[C@@H]3CCC[C@H]32)c1 ZINC000459345874 203264941 /nfs/dbraw/zinc/26/49/41/203264941.db2.gz KBVHUDFZPUHWCY-GXTWGEPZSA-N 0 3 235.758 3.367 20 0 BGADHN Clc1cccc(CCN2C[C@@H]3CCC[C@@H]32)c1 ZINC000459345877 203265123 /nfs/dbraw/zinc/26/51/23/203265123.db2.gz KBVHUDFZPUHWCY-JSGCOSHPSA-N 0 3 235.758 3.367 20 0 BGADHN Clc1cccc(CCN2C[C@H]3CCC[C@@H]32)c1 ZINC000459345879 203264124 /nfs/dbraw/zinc/26/41/24/203264124.db2.gz KBVHUDFZPUHWCY-OCCSQVGLSA-N 0 3 235.758 3.367 20 0 BGADHN Clc1cccc(CCN2C[C@H]3CCC[C@H]32)c1 ZINC000459345884 203265592 /nfs/dbraw/zinc/26/55/92/203265592.db2.gz KBVHUDFZPUHWCY-TZMCWYRMSA-N 0 3 235.758 3.367 20 0 BGADHN C[C@H]1CSCCN1CC1CCC(F)(F)CC1 ZINC000459346111 203265737 /nfs/dbraw/zinc/26/57/37/203265737.db2.gz UAYYIOUSDXTTOS-JTQLQIEISA-N 0 3 249.370 3.249 20 0 BGADHN C[C@@H]1CSCCN1CC1CCC(F)(F)CC1 ZINC000459346114 203265419 /nfs/dbraw/zinc/26/54/19/203265419.db2.gz UAYYIOUSDXTTOS-SNVBAGLBSA-N 0 3 249.370 3.249 20 0 BGADHN C[C@@H]1CCCN1CCc1cccc(Cl)c1 ZINC000459349884 203266004 /nfs/dbraw/zinc/26/60/04/203266004.db2.gz NPGTVGNJGVWSJY-LLVKDONJSA-N 0 3 223.747 3.367 20 0 BGADHN C[C@H]1CCCN1CCc1cccc(Cl)c1 ZINC000459349885 203263694 /nfs/dbraw/zinc/26/36/94/203263694.db2.gz NPGTVGNJGVWSJY-NSHDSACASA-N 0 3 223.747 3.367 20 0 BGADHN CSCCN(C)Cc1ccc(C2CC2)cc1 ZINC000459355356 203268816 /nfs/dbraw/zinc/26/88/16/203268816.db2.gz YVRDRIJQUYQLIY-UHFFFAOYSA-N 0 3 235.396 3.359 20 0 BGADHN Cc1cc(F)c(CNCC2CC2)c(Cl)c1 ZINC000459359574 203259911 /nfs/dbraw/zinc/25/99/11/203259911.db2.gz CRHCZTMLSUASFA-UHFFFAOYSA-N 0 3 227.710 3.287 20 0 BGADHN CC(C)CC[C@@H](C)NCc1cnc(C2CC2)nc1 ZINC000459361101 203268175 /nfs/dbraw/zinc/26/81/75/203268175.db2.gz FOWGMYUMVKDJJS-GFCCVEGCSA-N 0 3 247.386 3.268 20 0 BGADHN CC(C)CC[C@H](C)NCc1cnc(C2CC2)nc1 ZINC000459361103 203268068 /nfs/dbraw/zinc/26/80/68/203268068.db2.gz FOWGMYUMVKDJJS-LBPRGKRZSA-N 0 3 247.386 3.268 20 0 BGADHN CCOc1cc(CN2CC[C@@H]2C(C)C)ccc1O ZINC000459362485 203269088 /nfs/dbraw/zinc/26/90/88/203269088.db2.gz PSONZJKNDJJOQW-CYBMUJFWSA-N 0 3 249.354 3.021 20 0 BGADHN CCOc1cc(CN2CC[C@H]2C(C)C)ccc1O ZINC000459362486 203269364 /nfs/dbraw/zinc/26/93/64/203269364.db2.gz PSONZJKNDJJOQW-ZDUSSCGKSA-N 0 3 249.354 3.021 20 0 BGADHN CC[C@@H](C)CN(CC)Cc1cnc(C2CC2)nc1 ZINC000459363380 203267706 /nfs/dbraw/zinc/26/77/06/203267706.db2.gz UVAURDLHXWKHKJ-GFCCVEGCSA-N 0 3 247.386 3.222 20 0 BGADHN CC[C@H](C)CN(CC)Cc1cnc(C2CC2)nc1 ZINC000459363382 387932558 /nfs/dbraw/zinc/93/25/58/387932558.db2.gz UVAURDLHXWKHKJ-LBPRGKRZSA-N 0 3 247.386 3.222 20 0 BGADHN C[C@@]1(F)CCN(CC2CCC(F)(F)CC2)C1 ZINC000459364450 203267601 /nfs/dbraw/zinc/26/76/01/203267601.db2.gz ASJVSMCMQASRAE-LLVKDONJSA-N 0 3 235.293 3.246 20 0 BGADHN C[C@]1(F)CCN(CC2CCC(F)(F)CC2)C1 ZINC000459364452 203267868 /nfs/dbraw/zinc/26/78/68/203267868.db2.gz ASJVSMCMQASRAE-NSHDSACASA-N 0 3 235.293 3.246 20 0 BGADHN CN(CCc1cccc(Cl)c1)Cc1ccc[nH]1 ZINC000459364713 203268754 /nfs/dbraw/zinc/26/87/54/203268754.db2.gz WJQXPVBWMKJOKP-UHFFFAOYSA-N 0 3 248.757 3.343 20 0 BGADHN C[C@@]1(F)CCN(C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459364936 203268620 /nfs/dbraw/zinc/26/86/20/203268620.db2.gz SWIVQFMBHYFZDD-SOUVJXGZSA-N 0 3 233.330 3.224 20 0 BGADHN COc1ncccc1CNC1CC(C(C)(C)C)C1 ZINC000459372989 206125115 /nfs/dbraw/zinc/12/51/15/206125115.db2.gz VGKCSDCVDOFFOO-UHFFFAOYSA-N 0 3 248.370 3.005 20 0 BGADHN CCCNCc1c(F)cc(C)cc1Cl ZINC000459377926 203271121 /nfs/dbraw/zinc/27/11/21/203271121.db2.gz NKORDAXYUWUONK-UHFFFAOYSA-N 0 3 215.699 3.287 20 0 BGADHN c1nc(C2CC2)ncc1CNCCC1CCCC1 ZINC000459387184 203270467 /nfs/dbraw/zinc/27/04/67/203270467.db2.gz JVRHZPOZHKBSDN-UHFFFAOYSA-N 0 3 245.370 3.024 20 0 BGADHN Cc1cc(F)c(CNC(C)C)c(Cl)c1 ZINC000459387222 203271304 /nfs/dbraw/zinc/27/13/04/203271304.db2.gz KCGSWULKSAKXPJ-UHFFFAOYSA-N 0 3 215.699 3.286 20 0 BGADHN Cc1cc(F)c(CNC2CCC2)c(Cl)c1 ZINC000459398944 203274586 /nfs/dbraw/zinc/27/45/86/203274586.db2.gz JEDSLYZNARHVMV-UHFFFAOYSA-N 0 3 227.710 3.430 20 0 BGADHN C[C@@H](NCC1CCC(F)(F)CC1)c1ccon1 ZINC000459402189 203274956 /nfs/dbraw/zinc/27/49/56/203274956.db2.gz NLPPILYHALAQDO-SECBINFHSA-N 0 3 244.285 3.151 20 0 BGADHN C[C@H](NCC1CCC(F)(F)CC1)c1ccon1 ZINC000459402191 203274849 /nfs/dbraw/zinc/27/48/49/203274849.db2.gz NLPPILYHALAQDO-VIFPVBQESA-N 0 3 244.285 3.151 20 0 BGADHN CCC1CCC(CNCc2cc(C)on2)CC1 ZINC000459402960 203274628 /nfs/dbraw/zinc/27/46/28/203274628.db2.gz GGPHUKMUUUMZJN-UHFFFAOYSA-N 0 3 236.359 3.289 20 0 BGADHN C(CN1CCCC2(CC2)C1)OCC1CCCC1 ZINC000459411537 203277512 /nfs/dbraw/zinc/27/75/12/203277512.db2.gz QCQBLNPVVJXOGH-UHFFFAOYSA-N 0 3 237.387 3.069 20 0 BGADHN COC[C@H](NC1CC2(CCC2)C1)c1ccccc1 ZINC000459413469 203277125 /nfs/dbraw/zinc/27/71/25/203277125.db2.gz MQQDWHCOQHMMPZ-HNNXBMFYSA-N 0 3 245.366 3.296 20 0 BGADHN COC[C@@H](NC1CC2(CCC2)C1)c1ccccc1 ZINC000459413470 203275589 /nfs/dbraw/zinc/27/55/89/203275589.db2.gz MQQDWHCOQHMMPZ-OAHLLOKOSA-N 0 3 245.366 3.296 20 0 BGADHN Cc1cc(CN[C@@H]2CC[C@H]3CCC[C@H]3C2)no1 ZINC000459421851 388243817 /nfs/dbraw/zinc/24/38/17/388243817.db2.gz ZXEKTCKMFDUYFB-FRRDWIJNSA-N 0 3 234.343 3.041 20 0 BGADHN Cc1cc(CN[C@@H]2CC[C@H]3CCC[C@@H]3C2)no1 ZINC000459421853 388243394 /nfs/dbraw/zinc/24/33/94/388243394.db2.gz ZXEKTCKMFDUYFB-JHJVBQTASA-N 0 3 234.343 3.041 20 0 BGADHN Cc1cc(CN[C@@H]2CC[C@@H]3CCC[C@H]3C2)no1 ZINC000459421855 388244025 /nfs/dbraw/zinc/24/40/25/388244025.db2.gz ZXEKTCKMFDUYFB-RWMBFGLXSA-N 0 3 234.343 3.041 20 0 BGADHN Cc1cc(CN[C@@H]2CC[C@@H]3CCC[C@@H]3C2)no1 ZINC000459421857 388243184 /nfs/dbraw/zinc/24/31/84/388243184.db2.gz ZXEKTCKMFDUYFB-YNEHKIRRSA-N 0 3 234.343 3.041 20 0 BGADHN CCc1cnc(CNC2CC3(CCC3)C2)s1 ZINC000459425013 388243981 /nfs/dbraw/zinc/24/39/81/388243981.db2.gz LXWNIIYMOOGLMQ-UHFFFAOYSA-N 0 3 236.384 3.128 20 0 BGADHN CCC1(CNCc2cnc(C3CC3)nc2)CCC1 ZINC000459426513 206126061 /nfs/dbraw/zinc/12/60/61/206126061.db2.gz MVFTYSNXZHJDDM-UHFFFAOYSA-N 0 3 245.370 3.024 20 0 BGADHN c1ccc2c(c1)OC[C@H]2NC1CC2(CCC2)C1 ZINC000459426568 206125982 /nfs/dbraw/zinc/12/59/82/206125982.db2.gz MFICHWNCVUJVTE-CYBMUJFWSA-N 0 3 229.323 3.042 20 0 BGADHN c1ccc2c(c1)OC[C@@H]2NC1CC2(CCC2)C1 ZINC000459426569 206126436 /nfs/dbraw/zinc/12/64/36/206126436.db2.gz MFICHWNCVUJVTE-ZDUSSCGKSA-N 0 3 229.323 3.042 20 0 BGADHN CC(C)(C)C1CC(NCc2ccc(F)cn2)C1 ZINC000459432331 203279672 /nfs/dbraw/zinc/27/96/72/203279672.db2.gz KXPPIIANLGBYRP-UHFFFAOYSA-N 0 3 236.334 3.135 20 0 BGADHN CCCC1(CNCc2cnc(C3CC3)nc2)CC1 ZINC000459432989 203281420 /nfs/dbraw/zinc/28/14/20/203281420.db2.gz ASIGRJSHWRCTMQ-UHFFFAOYSA-N 0 3 245.370 3.024 20 0 BGADHN Cc1cc(CNC[C@@H](C)c2cccc(C)c2)no1 ZINC000459439571 203281981 /nfs/dbraw/zinc/28/19/81/203281981.db2.gz UOFBOMWFPFXBBN-GFCCVEGCSA-N 0 3 244.338 3.185 20 0 BGADHN Cc1cc(CNC[C@H](C)c2cccc(C)c2)no1 ZINC000459439572 203282244 /nfs/dbraw/zinc/28/22/44/203282244.db2.gz UOFBOMWFPFXBBN-LBPRGKRZSA-N 0 3 244.338 3.185 20 0 BGADHN CC(C)(C)C1CC(N[C@H]2CCCc3c[nH]nc32)C1 ZINC000459439794 203282407 /nfs/dbraw/zinc/28/24/07/203282407.db2.gz WNJKBLZQJMSNAK-BPCQOVAHSA-N 0 3 247.386 3.201 20 0 BGADHN CC(C)(C)C1CC(N[C@@H]2CCCc3c[nH]nc32)C1 ZINC000459439796 203282418 /nfs/dbraw/zinc/28/24/18/203282418.db2.gz WNJKBLZQJMSNAK-WXRRBKDZSA-N 0 3 247.386 3.201 20 0 BGADHN CC(C)(C)C1CC(N[C@@H](CO)c2ccccc2)C1 ZINC000459440014 203282341 /nfs/dbraw/zinc/28/23/41/203282341.db2.gz NRUYFXJHILNSRJ-NRXISQOPSA-N 0 3 247.382 3.134 20 0 BGADHN Cc1cc(CNCC(C)(C)C2CCCC2)no1 ZINC000459441265 324147043 /nfs/dbraw/zinc/14/70/43/324147043.db2.gz NLOVIXYPGXSRSS-UHFFFAOYSA-N 0 3 236.359 3.289 20 0 BGADHN Cc1cc(CNC[C@@H](C)c2ccc(C)cc2)no1 ZINC000459443024 387943572 /nfs/dbraw/zinc/94/35/72/387943572.db2.gz KCFBSRPDWNELRJ-GFCCVEGCSA-N 0 3 244.338 3.185 20 0 BGADHN Cc1cc(CNC[C@H](C)c2ccc(C)cc2)no1 ZINC000459443025 387943424 /nfs/dbraw/zinc/94/34/24/387943424.db2.gz KCFBSRPDWNELRJ-LBPRGKRZSA-N 0 3 244.338 3.185 20 0 BGADHN CCC1(CNCc2cc(C)on2)CCCC1 ZINC000459448480 527746028 /nfs/dbraw/zinc/74/60/28/527746028.db2.gz WAPIGUPYDMQNET-UHFFFAOYSA-N 0 3 222.332 3.043 20 0 BGADHN COc1ccc(CNC2CC3(CCC3)C2)c(F)c1 ZINC000459450954 388246025 /nfs/dbraw/zinc/24/60/25/388246025.db2.gz YYRYTABWJJSXMP-UHFFFAOYSA-N 0 3 249.329 3.257 20 0 BGADHN Cc1cc(C)nc(NC2CC3(CCC3)C2)c1 ZINC000459451615 203283778 /nfs/dbraw/zinc/28/37/78/203283778.db2.gz QEBXMXSAQUCJOR-UHFFFAOYSA-N 0 3 216.328 3.443 20 0 BGADHN COCC[C@@H](NC1CC2(CCC2)C1)c1ccco1 ZINC000459473734 203287070 /nfs/dbraw/zinc/28/70/70/203287070.db2.gz XHEDCCLKDGFQNG-CYBMUJFWSA-N 0 3 249.354 3.280 20 0 BGADHN COCC[C@H](NC1CC2(CCC2)C1)c1ccco1 ZINC000459473736 387947085 /nfs/dbraw/zinc/94/70/85/387947085.db2.gz XHEDCCLKDGFQNG-ZDUSSCGKSA-N 0 3 249.354 3.280 20 0 BGADHN Fc1ccc2c(c1)[C@H](NC1CC3(CCC3)C1)CO2 ZINC000459480942 203288961 /nfs/dbraw/zinc/28/89/61/203288961.db2.gz ORUOSRLKBISGRY-CYBMUJFWSA-N 0 3 247.313 3.182 20 0 BGADHN Fc1ccc2c(c1)[C@@H](NC1CC3(CCC3)C1)CO2 ZINC000459480943 203290090 /nfs/dbraw/zinc/29/00/90/203290090.db2.gz ORUOSRLKBISGRY-ZDUSSCGKSA-N 0 3 247.313 3.182 20 0 BGADHN CCC1(CNCc2cc(C)on2)CCCCC1 ZINC000459480954 203290767 /nfs/dbraw/zinc/29/07/67/203290767.db2.gz OTUYWOZFRLQMLV-UHFFFAOYSA-N 0 3 236.359 3.433 20 0 BGADHN C[C@@H](NC[C@@H]1C[C@H]1c1ccccc1)c1ccon1 ZINC000459491058 203291985 /nfs/dbraw/zinc/29/19/85/203291985.db2.gz WFZZUTRGTVCHRM-XBFCOCLRSA-N 0 3 242.322 3.129 20 0 BGADHN CCOCCN(C)Cc1ccc(C2CC2)cc1 ZINC000459491155 388246162 /nfs/dbraw/zinc/24/61/62/388246162.db2.gz ZRBSKHIHWLFTPF-UHFFFAOYSA-N 0 3 233.355 3.032 20 0 BGADHN COc1ccc(F)cc1CNC1CC2(CCC2)C1 ZINC000459499204 206132129 /nfs/dbraw/zinc/13/21/29/206132129.db2.gz MAVHPCFRSYZPMN-UHFFFAOYSA-N 0 3 249.329 3.257 20 0 BGADHN COc1cnccc1[C@@H](C)NC1CC2(CCC2)C1 ZINC000459504864 203292888 /nfs/dbraw/zinc/29/28/88/203292888.db2.gz HVENBKSYWDJBFH-LLVKDONJSA-N 0 3 246.354 3.074 20 0 BGADHN COc1cnccc1[C@H](C)NC1CC2(CCC2)C1 ZINC000459504866 203294231 /nfs/dbraw/zinc/29/42/31/203294231.db2.gz HVENBKSYWDJBFH-NSHDSACASA-N 0 3 246.354 3.074 20 0 BGADHN CN(Cc1cnc(C2CC2)nc1)C1(C)CCCC1 ZINC000459509279 203293286 /nfs/dbraw/zinc/29/32/86/203293286.db2.gz UOGCIEWNVNMLHL-UHFFFAOYSA-N 0 3 245.370 3.119 20 0 BGADHN Cc1cc(CNC[C@@H]2CCC[C@H](C)[C@@H]2C)no1 ZINC000459514442 388245341 /nfs/dbraw/zinc/24/53/41/388245341.db2.gz AAVVJHNMCUXAQC-DRZSPHRISA-N 0 3 236.359 3.145 20 0 BGADHN Cc1cc(CNC[C@@H]2CCC[C@@H](C)[C@H]2C)no1 ZINC000459514443 388245941 /nfs/dbraw/zinc/24/59/41/388245941.db2.gz AAVVJHNMCUXAQC-RTXFEEFZSA-N 0 3 236.359 3.145 20 0 BGADHN Cc1cc(CNC[C@@H]2CCC[C@H](C)[C@H]2C)no1 ZINC000459514444 388245810 /nfs/dbraw/zinc/24/58/10/388245810.db2.gz AAVVJHNMCUXAQC-UHTWSYAYSA-N 0 3 236.359 3.145 20 0 BGADHN Cc1cc(CNC[C@@H]2CCC[C@@H](C)[C@@H]2C)no1 ZINC000459514445 388245876 /nfs/dbraw/zinc/24/58/76/388245876.db2.gz AAVVJHNMCUXAQC-WXHSDQCUSA-N 0 3 236.359 3.145 20 0 BGADHN CC(C)(CF)NCc1ccc(C2CC2)cc1 ZINC000459518314 203295586 /nfs/dbraw/zinc/29/55/86/203295586.db2.gz FSJAJYYKCRQACL-UHFFFAOYSA-N 0 3 221.319 3.402 20 0 BGADHN Cc1cc(CNCC2(C)CCC(C)CC2)no1 ZINC000459519027 203296745 /nfs/dbraw/zinc/29/67/45/203296745.db2.gz FPMPNIYFGZNVTE-UHFFFAOYSA-N 0 3 236.359 3.289 20 0 BGADHN FC1(F)CC(NCc2ccc(C3CC3)cc2)C1 ZINC000459520291 203294933 /nfs/dbraw/zinc/29/49/33/203294933.db2.gz ZGJXGWBHUBBELD-UHFFFAOYSA-N 0 3 237.293 3.451 20 0 BGADHN CCOc1cc(CN(C)[C@H]2CC2(C)C)ccc1O ZINC000459524536 203296556 /nfs/dbraw/zinc/29/65/56/203296556.db2.gz UMIWIAKQXGAGDF-AWEZNQCLSA-N 0 3 249.354 3.021 20 0 BGADHN CCOc1cc(CN(C)[C@@H]2CC2(C)C)ccc1O ZINC000459524538 203295368 /nfs/dbraw/zinc/29/53/68/203295368.db2.gz UMIWIAKQXGAGDF-CQSZACIVSA-N 0 3 249.354 3.021 20 0 BGADHN CC1CN(Cc2ccc(C3CC3)cc2)C1 ZINC000459525507 203294652 /nfs/dbraw/zinc/29/46/52/203294652.db2.gz KQIURRHSBYOMEX-UHFFFAOYSA-N 0 3 201.313 3.016 20 0 BGADHN CC(C)(CF)NCCc1cccc(Cl)c1 ZINC000459525795 203294889 /nfs/dbraw/zinc/29/48/89/203294889.db2.gz JKTZFQZAQDRLMT-UHFFFAOYSA-N 0 3 229.726 3.220 20 0 BGADHN Cc1cc(CN[C@H](C)CC2CCCCC2)no1 ZINC000459526817 203294983 /nfs/dbraw/zinc/29/49/83/203294983.db2.gz WBZGFBSQWOSXKX-LLVKDONJSA-N 0 3 236.359 3.432 20 0 BGADHN Cc1cc(CN[C@@H](C)CC2CCCCC2)no1 ZINC000459526822 203295054 /nfs/dbraw/zinc/29/50/54/203295054.db2.gz WBZGFBSQWOSXKX-NSHDSACASA-N 0 3 236.359 3.432 20 0 BGADHN CC(C)(CF)NCCc1ccc(Cl)cc1 ZINC000459527636 203295728 /nfs/dbraw/zinc/29/57/28/203295728.db2.gz KNEUMIUFCMRIDH-UHFFFAOYSA-N 0 3 229.726 3.220 20 0 BGADHN C[C@H](CCC1CC1)NCc1cnc(C2CC2)nc1 ZINC000459538075 324147931 /nfs/dbraw/zinc/14/79/31/324147931.db2.gz SEXIGUNWNHBXPG-LLVKDONJSA-N 0 3 245.370 3.022 20 0 BGADHN C[C@@H](CCC1CC1)NCc1cnc(C2CC2)nc1 ZINC000459538077 387957789 /nfs/dbraw/zinc/95/77/89/387957789.db2.gz SEXIGUNWNHBXPG-NSHDSACASA-N 0 3 245.370 3.022 20 0 BGADHN CN(Cc1ccc(C2CC2)cc1)[C@H]1CCCOC1 ZINC000459539284 529984528 /nfs/dbraw/zinc/98/45/28/529984528.db2.gz FYKYOTGNBWMPCH-INIZCTEOSA-N 0 3 245.366 3.175 20 0 BGADHN CN(Cc1ccc(C2CC2)cc1)[C@@H]1CCCOC1 ZINC000459539285 529984591 /nfs/dbraw/zinc/98/45/91/529984591.db2.gz FYKYOTGNBWMPCH-MRXNPFEDSA-N 0 3 245.366 3.175 20 0 BGADHN CO[C@H](C)CN(C)Cc1ccc(C2CC2)cc1 ZINC000459550731 203298532 /nfs/dbraw/zinc/29/85/32/203298532.db2.gz QNNGKXWYTSRHPR-GFCCVEGCSA-N 0 3 233.355 3.031 20 0 BGADHN CO[C@@H](C)CN(C)Cc1ccc(C2CC2)cc1 ZINC000459550732 203298182 /nfs/dbraw/zinc/29/81/82/203298182.db2.gz QNNGKXWYTSRHPR-LBPRGKRZSA-N 0 3 233.355 3.031 20 0 BGADHN CC[C@@H]1CC[C@@H](C)N1Cc1cnc(C2CC2)nc1 ZINC000459552502 203298570 /nfs/dbraw/zinc/29/85/70/203298570.db2.gz UMVCFZTVUDWPMC-BXUZGUMPSA-N 0 3 245.370 3.117 20 0 BGADHN CC[C@H]1CC[C@H](C)N1Cc1cnc(C2CC2)nc1 ZINC000459552504 203299548 /nfs/dbraw/zinc/29/95/48/203299548.db2.gz UMVCFZTVUDWPMC-FZMZJTMJSA-N 0 3 245.370 3.117 20 0 BGADHN CC[C@H]1CC[C@@H](C)N1Cc1cnc(C2CC2)nc1 ZINC000459552506 203298099 /nfs/dbraw/zinc/29/80/99/203298099.db2.gz UMVCFZTVUDWPMC-RISCZKNCSA-N 0 3 245.370 3.117 20 0 BGADHN CC[C@@H]1CC[C@H](C)N1Cc1cnc(C2CC2)nc1 ZINC000459552508 203298420 /nfs/dbraw/zinc/29/84/20/203298420.db2.gz UMVCFZTVUDWPMC-SMDDNHRTSA-N 0 3 245.370 3.117 20 0 BGADHN Cc1cc(CNCC(C)(C)C(C)(C)C)no1 ZINC000459552903 203298713 /nfs/dbraw/zinc/29/87/13/203298713.db2.gz ACNXFRCUGUNDKH-UHFFFAOYSA-N 0 3 224.348 3.145 20 0 BGADHN CCCC[C@@H](C)N(C)Cc1cnc(C2CC2)nc1 ZINC000459554109 203299399 /nfs/dbraw/zinc/29/93/99/203299399.db2.gz CQFFUQUBCKZXAR-GFCCVEGCSA-N 0 3 247.386 3.365 20 0 BGADHN CCCC[C@H](C)N(C)Cc1cnc(C2CC2)nc1 ZINC000459554110 203297892 /nfs/dbraw/zinc/29/78/92/203297892.db2.gz CQFFUQUBCKZXAR-LBPRGKRZSA-N 0 3 247.386 3.365 20 0 BGADHN Cc1cc(CN2CC3(C2)CCCC3)cs1 ZINC000459555736 203301338 /nfs/dbraw/zinc/30/13/38/203301338.db2.gz DQBAUADFQMLNGS-UHFFFAOYSA-N 0 3 221.369 3.433 20 0 BGADHN FC(F)[C@H]1C[C@@H]1NCc1ccc(C2CC2)cc1 ZINC000459555908 203300336 /nfs/dbraw/zinc/30/03/36/203300336.db2.gz GTGNAMYEXYEFAG-STQMWFEESA-N 0 3 237.293 3.307 20 0 BGADHN COc1ccncc1CNC1CC(C(C)(C)C)C1 ZINC000459556134 203301714 /nfs/dbraw/zinc/30/17/14/203301714.db2.gz JMGSVHXAPBSVFU-UHFFFAOYSA-N 0 3 248.370 3.005 20 0 BGADHN COc1ccc(CN2CC3(C2)CCCC3)cc1C ZINC000459556382 203301869 /nfs/dbraw/zinc/30/18/69/203301869.db2.gz GCFOPQSHVPDSGO-UHFFFAOYSA-N 0 3 245.366 3.380 20 0 BGADHN CCCc1nc(C)c(CNC2CC3(CCC3)C2)o1 ZINC000459558492 203301820 /nfs/dbraw/zinc/30/18/20/203301820.db2.gz NUHPQEZMLQJUKZ-UHFFFAOYSA-N 0 3 248.370 3.358 20 0 BGADHN COCc1ccc(CN2CC3(C2)CCCC3)cc1 ZINC000459558729 203300687 /nfs/dbraw/zinc/30/06/87/203300687.db2.gz JIVGYWWQDLQIAK-UHFFFAOYSA-N 0 3 245.366 3.209 20 0 BGADHN CCN(Cc1ccc(C2CC2)cc1)[C@H]1CCOC1 ZINC000459559746 203301808 /nfs/dbraw/zinc/30/18/08/203301808.db2.gz PKTHKUOKHHWVNP-INIZCTEOSA-N 0 3 245.366 3.175 20 0 BGADHN CCN(Cc1ccc(C2CC2)cc1)[C@@H]1CCOC1 ZINC000459559747 203301555 /nfs/dbraw/zinc/30/15/55/203301555.db2.gz PKTHKUOKHHWVNP-MRXNPFEDSA-N 0 3 245.366 3.175 20 0 BGADHN CC[C@@H]1CCN1CCc1cccc(Cl)c1 ZINC000459560829 203301355 /nfs/dbraw/zinc/30/13/55/203301355.db2.gz QTAAODGQVWJCKR-CYBMUJFWSA-N 0 3 223.747 3.367 20 0 BGADHN CC[C@H]1CCN1CCc1cccc(Cl)c1 ZINC000459560830 203300095 /nfs/dbraw/zinc/30/00/95/203300095.db2.gz QTAAODGQVWJCKR-ZDUSSCGKSA-N 0 3 223.747 3.367 20 0 BGADHN COc1ccc(C)cc1CN1CC2(C1)CCCC2 ZINC000459561175 203301971 /nfs/dbraw/zinc/30/19/71/203301971.db2.gz MTAVJMLSVHHVKV-UHFFFAOYSA-N 0 3 245.366 3.380 20 0 BGADHN COc1cccnc1CNC1CC(C(C)(C)C)C1 ZINC000459563460 203299858 /nfs/dbraw/zinc/29/98/58/203299858.db2.gz QLAPGAQAUAEZAE-UHFFFAOYSA-N 0 3 248.370 3.005 20 0 BGADHN COCc1cccc(CN2CC3(C2)CCCC3)c1 ZINC000459564274 203301421 /nfs/dbraw/zinc/30/14/21/203301421.db2.gz QHBOLYXIHLNQPT-UHFFFAOYSA-N 0 3 245.366 3.209 20 0 BGADHN CCN(Cc1cnc(C2CC2)nc1)CC(C)(C)C ZINC000459564462 203303652 /nfs/dbraw/zinc/30/36/52/203303652.db2.gz WLTVJNKNVXYNOV-UHFFFAOYSA-N 0 3 247.386 3.222 20 0 BGADHN CCC1(NCc2cc(C)on2)CCCCC1 ZINC000459565138 203304330 /nfs/dbraw/zinc/30/43/30/203304330.db2.gz FZUOJIMWXZONAL-UHFFFAOYSA-N 0 3 222.332 3.186 20 0 BGADHN Cc1ccsc1CN1CC2(C1)CCCC2 ZINC000459565227 203303071 /nfs/dbraw/zinc/30/30/71/203303071.db2.gz RUTYLALPIZOXOQ-UHFFFAOYSA-N 0 3 221.369 3.433 20 0 BGADHN CN(C)c1ccccc1CN1CC2(C1)CCCC2 ZINC000459565959 203302975 /nfs/dbraw/zinc/30/29/75/203302975.db2.gz UHTASPXUMBYSRB-UHFFFAOYSA-N 0 3 244.382 3.129 20 0 BGADHN CC(C)(C)C1CC(NCc2cnc(C3CC3)o2)C1 ZINC000459565963 203304308 /nfs/dbraw/zinc/30/43/08/203304308.db2.gz GNBPFFJOKJAVCT-UHFFFAOYSA-N 0 3 248.370 3.466 20 0 BGADHN C[C@@H](CF)NCc1ccc(C2CC2)cc1 ZINC000459567198 203303588 /nfs/dbraw/zinc/30/35/88/203303588.db2.gz JPPODDQBIWSHOY-JTQLQIEISA-N 0 3 207.292 3.012 20 0 BGADHN C[C@H](CF)NCc1ccc(C2CC2)cc1 ZINC000459567201 203303514 /nfs/dbraw/zinc/30/35/14/203303514.db2.gz JPPODDQBIWSHOY-SNVBAGLBSA-N 0 3 207.292 3.012 20 0 BGADHN c1cc(C2CC2)ccc1CN1CC2(CC2)C1 ZINC000459569135 487773809 /nfs/dbraw/zinc/77/38/09/487773809.db2.gz LPQCUJFILOTWLU-UHFFFAOYSA-N 0 3 213.324 3.160 20 0 BGADHN Cc1sccc1CN1CC2(C1)CCCC2 ZINC000459569142 203303486 /nfs/dbraw/zinc/30/34/86/203303486.db2.gz XUTDRMPEVGVCKQ-UHFFFAOYSA-N 0 3 221.369 3.433 20 0 BGADHN CCC(CC)N(CC)Cc1cnc(C2CC2)nc1 ZINC000459571027 203303973 /nfs/dbraw/zinc/30/39/73/203303973.db2.gz QPSYLQFTESSMCT-UHFFFAOYSA-N 0 3 247.386 3.365 20 0 BGADHN CCc1ncc(CNC2CC(C(C)(C)C)C2)o1 ZINC000459572815 203303759 /nfs/dbraw/zinc/30/37/59/203303759.db2.gz QAQOOKXLOQNBKN-UHFFFAOYSA-N 0 3 236.359 3.151 20 0 BGADHN COCCN1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000459573173 203304890 /nfs/dbraw/zinc/30/48/90/203304890.db2.gz HXAJDTSCJABSFI-HNNXBMFYSA-N 0 3 245.366 3.250 20 0 BGADHN COCCN1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000459573175 203303771 /nfs/dbraw/zinc/30/37/71/203303771.db2.gz HXAJDTSCJABSFI-OAHLLOKOSA-N 0 3 245.366 3.250 20 0 BGADHN C[C@H]1Oc2ccccc2[C@H]1NC1CC2(CCC2)C1 ZINC000459573439 203303243 /nfs/dbraw/zinc/30/32/43/203303243.db2.gz WPHDTHJLAOZCHX-ABAIWWIYSA-N 0 3 243.350 3.431 20 0 BGADHN C[C@H]1Oc2ccccc2[C@@H]1NC1CC2(CCC2)C1 ZINC000459573440 203304342 /nfs/dbraw/zinc/30/43/42/203304342.db2.gz WPHDTHJLAOZCHX-IAQYHMDHSA-N 0 3 243.350 3.431 20 0 BGADHN C[C@@H]1Oc2ccccc2[C@H]1NC1CC2(CCC2)C1 ZINC000459573441 203303347 /nfs/dbraw/zinc/30/33/47/203303347.db2.gz WPHDTHJLAOZCHX-NHYWBVRUSA-N 0 3 243.350 3.431 20 0 BGADHN C[C@@H]1Oc2ccccc2[C@@H]1NC1CC2(CCC2)C1 ZINC000459573442 203302911 /nfs/dbraw/zinc/30/29/11/203302911.db2.gz WPHDTHJLAOZCHX-XHDPSFHLSA-N 0 3 243.350 3.431 20 0 BGADHN CCCc1ncc(CNC2CC3(CCC3)C2)o1 ZINC000459574242 203305796 /nfs/dbraw/zinc/30/57/96/203305796.db2.gz SADSZWIUVSIWLY-UHFFFAOYSA-N 0 3 234.343 3.049 20 0 BGADHN CCC1(CC)CN(Cc2cccc3c[nH]nc32)C1 ZINC000459575339 203305381 /nfs/dbraw/zinc/30/53/81/203305381.db2.gz CCQJLIAKNJIZAZ-UHFFFAOYSA-N 0 3 243.354 3.185 20 0 BGADHN CCC1(CC)CN(Cc2ccc3c[nH]nc3c2)C1 ZINC000459575856 387059614 /nfs/dbraw/zinc/05/96/14/387059614.db2.gz CRSCMNGQVRPHTA-UHFFFAOYSA-N 0 3 243.354 3.185 20 0 BGADHN FC[C@@H]1CCCN1Cc1ccc(C2CC2)cc1 ZINC000459582237 203308227 /nfs/dbraw/zinc/30/82/27/203308227.db2.gz DKHQKGQXMLIDOV-HNNXBMFYSA-N 0 3 233.330 3.498 20 0 BGADHN FC[C@H]1CCCN1Cc1ccc(C2CC2)cc1 ZINC000459582238 203306190 /nfs/dbraw/zinc/30/61/90/203306190.db2.gz DKHQKGQXMLIDOV-OAHLLOKOSA-N 0 3 233.330 3.498 20 0 BGADHN F[C@@H]1CCC[C@@H]1NCCc1cccc(Cl)c1 ZINC000459582692 203306577 /nfs/dbraw/zinc/30/65/77/203306577.db2.gz FFDKAKMPJDDNFC-OLZOCXBDSA-N 0 3 241.737 3.363 20 0 BGADHN F[C@H]1CCC[C@H]1NCCc1cccc(Cl)c1 ZINC000459582693 203306922 /nfs/dbraw/zinc/30/69/22/203306922.db2.gz FFDKAKMPJDDNFC-QWHCGFSZSA-N 0 3 241.737 3.363 20 0 BGADHN CCC1CN(CCc2ccc(Cl)cc2)C1 ZINC000459582724 203307591 /nfs/dbraw/zinc/30/75/91/203307591.db2.gz FTGMVMMYKVYTHU-UHFFFAOYSA-N 0 3 223.747 3.224 20 0 BGADHN CSCCN1Cc2sccc2CC1(C)C ZINC000459583426 203306553 /nfs/dbraw/zinc/30/65/53/203306553.db2.gz PMDXIJNUSKPECI-UHFFFAOYSA-N 0 3 241.425 3.248 20 0 BGADHN F[C@@H]1CCC[C@@H]1NCCc1ccc(Cl)cc1 ZINC000459585583 203307585 /nfs/dbraw/zinc/30/75/85/203307585.db2.gz INJZJQOXQOURCD-OLZOCXBDSA-N 0 3 241.737 3.363 20 0 BGADHN F[C@H]1CCC[C@H]1NCCc1ccc(Cl)cc1 ZINC000459585587 203307269 /nfs/dbraw/zinc/30/72/69/203307269.db2.gz INJZJQOXQOURCD-QWHCGFSZSA-N 0 3 241.737 3.363 20 0 BGADHN Clc1cccc(CCN2CC[C@H]2C2CC2)c1 ZINC000459585595 203306390 /nfs/dbraw/zinc/30/63/90/203306390.db2.gz VAJBEEDCOUJONV-AWEZNQCLSA-N 0 3 235.758 3.367 20 0 BGADHN Clc1cccc(CCN2CC[C@@H]2C2CC2)c1 ZINC000459585598 203306304 /nfs/dbraw/zinc/30/63/04/203306304.db2.gz VAJBEEDCOUJONV-CQSZACIVSA-N 0 3 235.758 3.367 20 0 BGADHN c1coc(CN2CC(C3CCCCC3)C2)c1 ZINC000459588857 203309032 /nfs/dbraw/zinc/30/90/32/203309032.db2.gz HASCZZRQCYPTFC-UHFFFAOYSA-N 0 3 219.328 3.292 20 0 BGADHN Cn1ccc(CN2CC(C3CCCCC3)C2)c1 ZINC000459589008 203309681 /nfs/dbraw/zinc/30/96/81/203309681.db2.gz HQIGFCNGNJIRFR-UHFFFAOYSA-N 0 3 232.371 3.037 20 0 BGADHN Cc1ccc(CN2CC(C3CCCCC3)C2)cn1 ZINC000459591199 487774815 /nfs/dbraw/zinc/77/48/15/487774815.db2.gz KNJSVXPYKHKNGF-UHFFFAOYSA-N 0 3 244.382 3.402 20 0 BGADHN Oc1cccc(CN2CC(C3CCCCC3)C2)c1 ZINC000459591967 203309645 /nfs/dbraw/zinc/30/96/45/203309645.db2.gz MBBSQUOFTJDGAN-UHFFFAOYSA-N 0 3 245.366 3.404 20 0 BGADHN CCC1(CC)CN(Cc2cc3cccnc3o2)C1 ZINC000459592312 203308807 /nfs/dbraw/zinc/30/88/07/203308807.db2.gz HEAMNFIXIRSMAK-UHFFFAOYSA-N 0 3 244.338 3.450 20 0 BGADHN CCC1(CC)CN(Cc2occc2C)C1 ZINC000459592348 203309624 /nfs/dbraw/zinc/30/96/24/203309624.db2.gz HLPSNNRLAQJBOC-UHFFFAOYSA-N 0 3 207.317 3.210 20 0 BGADHN Cc1ccoc1CN1CC2(C1)CCCCC2 ZINC000459593521 203310477 /nfs/dbraw/zinc/31/04/77/203310477.db2.gz JBMIYZGSWUDEGR-UHFFFAOYSA-N 0 3 219.328 3.354 20 0 BGADHN COc1ccc(CN2CC3(C2)CCCCC3)cc1 ZINC000459593612 203310769 /nfs/dbraw/zinc/31/07/69/203310769.db2.gz JIKQAHASUNDKFP-UHFFFAOYSA-N 0 3 245.366 3.461 20 0 BGADHN Cc1ncccc1CN1CC(C2CCCCC2)C1 ZINC000459594788 203308645 /nfs/dbraw/zinc/30/86/45/203308645.db2.gz QFOAWPANCBXLKC-UHFFFAOYSA-N 0 3 244.382 3.402 20 0 BGADHN Cc1noc(C)c1CN1CC(C2CCCCC2)C1 ZINC000459594821 534353130 /nfs/dbraw/zinc/35/31/30/534353130.db2.gz QNVRJGCZTWPACN-UHFFFAOYSA-N 0 3 248.370 3.304 20 0 BGADHN Cn1cccc1CN1CC(C2CCCCC2)C1 ZINC000459594887 203312645 /nfs/dbraw/zinc/31/26/45/203312645.db2.gz QQXJMRZLAUWFST-UHFFFAOYSA-N 0 3 232.371 3.037 20 0 BGADHN Cc1n[nH]c(C)c1CN1CC(C2CCCCC2)C1 ZINC000459596253 203312792 /nfs/dbraw/zinc/31/27/92/203312792.db2.gz SRQWMSNSBKLRGJ-UHFFFAOYSA-N 0 3 247.386 3.039 20 0 BGADHN Cc1ccncc1CN1CC(C2CCCCC2)C1 ZINC000459596258 387094115 /nfs/dbraw/zinc/09/41/15/387094115.db2.gz STNYTKSQEBUWBK-UHFFFAOYSA-N 0 3 244.382 3.402 20 0 BGADHN CCSCCN1CC2(C1)CCCCC2 ZINC000459596875 203313062 /nfs/dbraw/zinc/31/30/62/203313062.db2.gz OLEICANCWHAYST-UHFFFAOYSA-N 0 3 213.390 3.006 20 0 BGADHN CCC1(CC)CN(Cc2ccc(COC)cc2)C1 ZINC000459596883 203312750 /nfs/dbraw/zinc/31/27/50/203312750.db2.gz ONJSUXFHVXVDKO-UHFFFAOYSA-N 0 3 247.382 3.455 20 0 BGADHN CCC1(CC)CN(Cc2cccc(COC)c2)C1 ZINC000459597004 203312880 /nfs/dbraw/zinc/31/28/80/203312880.db2.gz PBLNMFWTJUBDPQ-UHFFFAOYSA-N 0 3 247.382 3.455 20 0 BGADHN CCC1(CC)CN(Cc2cccnc2C)C1 ZINC000459598082 203312278 /nfs/dbraw/zinc/31/22/78/203312278.db2.gz QZNXWOJXKHLDGK-UHFFFAOYSA-N 0 3 218.344 3.012 20 0 BGADHN CCC1(CC)CN(CCCc2cnccc2C)C1 ZINC000459598084 203311061 /nfs/dbraw/zinc/31/10/61/203311061.db2.gz RAYOVIAXUDKQNX-UHFFFAOYSA-N 0 3 246.398 3.445 20 0 BGADHN CCC1(CC)CN(Cc2cccc(O)c2)C1 ZINC000459598103 203312533 /nfs/dbraw/zinc/31/25/33/203312533.db2.gz RGTWHVGNCTZEQT-UHFFFAOYSA-N 0 3 219.328 3.014 20 0 BGADHN COc1cccc(CN2CC3(C2)CCCCC3)c1 ZINC000459598162 203312521 /nfs/dbraw/zinc/31/25/21/203312521.db2.gz RQZBQVNUTGSLAD-UHFFFAOYSA-N 0 3 245.366 3.461 20 0 BGADHN Cc1ccc(CN2CC(C3CCCCC3)C2)nc1 ZINC000459598244 203312871 /nfs/dbraw/zinc/31/28/71/203312871.db2.gz VYXVSWLXKZIJHW-UHFFFAOYSA-N 0 3 244.382 3.402 20 0 BGADHN CC[C@H]1CC[C@H](NCc2cc(C)on2)CC1 ZINC000459599656 203312860 /nfs/dbraw/zinc/31/28/60/203312860.db2.gz XZUVHGFPWSKGGY-HAQNSBGRSA-N 0 3 222.332 3.041 20 0 BGADHN FC[C@H]1CCCN1C[C@@H]1C[C@H]1c1ccccc1 ZINC000459600276 203312577 /nfs/dbraw/zinc/31/25/77/203312577.db2.gz ZZFVIORQGYWJDU-ZNMIVQPWSA-N 0 3 233.330 3.224 20 0 BGADHN CCC1(CC)CN(Cc2cccs2)C1 ZINC000459600282 203312587 /nfs/dbraw/zinc/31/25/87/203312587.db2.gz SHMXHPBNQDXOCU-UHFFFAOYSA-N 0 3 209.358 3.370 20 0 BGADHN CCC1(CC)CN(Cc2ccsc2)C1 ZINC000459600782 203311569 /nfs/dbraw/zinc/31/15/69/203311569.db2.gz VBNMZYORHATHRQ-UHFFFAOYSA-N 0 3 209.358 3.370 20 0 BGADHN CCC1(CC)CN(CCCc2ccc(C)nc2)C1 ZINC000459600808 203311101 /nfs/dbraw/zinc/31/11/01/203311101.db2.gz VJYRNOSTIQMXMT-UHFFFAOYSA-N 0 3 246.398 3.445 20 0 BGADHN Cc1cc(CNCC2(C3CCC3)CCC2)no1 ZINC000459601134 203311421 /nfs/dbraw/zinc/31/14/21/203311421.db2.gz WHIBZDHCZCZIQH-UHFFFAOYSA-N 0 3 234.343 3.043 20 0 BGADHN COc1ccccc1CN1CC2(C1)CCCCC2 ZINC000459601792 203315014 /nfs/dbraw/zinc/31/50/14/203315014.db2.gz ZPQOVCIVMXBYHK-UHFFFAOYSA-N 0 3 245.366 3.461 20 0 BGADHN c1cc(CN2CC(C3CCCC3)C2)cs1 ZINC000459604658 203314258 /nfs/dbraw/zinc/31/42/58/203314258.db2.gz CCMINWGTDPZBFC-UHFFFAOYSA-N 0 3 221.369 3.370 20 0 BGADHN Cc1ccc(CN2CC(C3CCCC3)C2)cn1 ZINC000459605935 487778157 /nfs/dbraw/zinc/77/81/57/487778157.db2.gz DNOYKWDTYVPBKW-UHFFFAOYSA-N 0 3 230.355 3.012 20 0 BGADHN CCc1ccc(CN2CC(C3CCCC3)C2)cn1 ZINC000459605976 203314714 /nfs/dbraw/zinc/31/47/14/203314714.db2.gz DTPUSGJKQXKGSU-UHFFFAOYSA-N 0 3 244.382 3.266 20 0 BGADHN COc1ccccc1CN1CC(C2CCCC2)C1 ZINC000459608024 203314719 /nfs/dbraw/zinc/31/47/19/203314719.db2.gz HLYOZPZYBWZCKJ-UHFFFAOYSA-N 0 3 245.366 3.317 20 0 BGADHN Cc1ccoc1CN1CC(C2CCCC2)C1 ZINC000459608742 203314796 /nfs/dbraw/zinc/31/47/96/203314796.db2.gz IHDUZQTWYXYJNQ-UHFFFAOYSA-N 0 3 219.328 3.210 20 0 BGADHN c1csc(CN2CC(C3CCCC3)C2)c1 ZINC000459609915 203314300 /nfs/dbraw/zinc/31/43/00/203314300.db2.gz JKJDMZRFXWDTHP-UHFFFAOYSA-N 0 3 221.369 3.370 20 0 BGADHN Cc1ccc(CN2CC(C3CCCC3)C2)nc1 ZINC000459610778 203316671 /nfs/dbraw/zinc/31/66/71/203316671.db2.gz KSHPKZKGLWNHOM-UHFFFAOYSA-N 0 3 230.355 3.012 20 0 BGADHN CC(C)c1ccc(CN2CC(C(C)(C)O)C2)cc1 ZINC000459611715 387108214 /nfs/dbraw/zinc/10/82/14/387108214.db2.gz PCKSRGVVGHHZJS-UHFFFAOYSA-N 0 3 247.382 3.013 20 0 BGADHN Cc1ccc(CN2CC(C3CCCC3)C2)o1 ZINC000459617606 203317420 /nfs/dbraw/zinc/31/74/20/203317420.db2.gz RFCNUUIEZLOTKV-UHFFFAOYSA-N 0 3 219.328 3.210 20 0 BGADHN COCC1(C)CN(CCCC2CCCCC2)C1 ZINC000459618077 203320226 /nfs/dbraw/zinc/32/02/26/203320226.db2.gz BHXILBXYUPMZSR-UHFFFAOYSA-N 0 3 239.403 3.315 20 0 BGADHN CC[C@@H](CN1CC(C)(COC)C1)c1ccccc1 ZINC000459618086 203318908 /nfs/dbraw/zinc/31/89/08/203318908.db2.gz BOJLCADVXCQDAH-AWEZNQCLSA-N 0 3 247.382 3.149 20 0 BGADHN CC[C@H](CN1CC(C)(COC)C1)c1ccccc1 ZINC000459618087 203318396 /nfs/dbraw/zinc/31/83/96/203318396.db2.gz BOJLCADVXCQDAH-CQSZACIVSA-N 0 3 247.382 3.149 20 0 BGADHN COCC1(C)CN(Cc2c(C)cc(C)cc2C)C1 ZINC000459618842 387125718 /nfs/dbraw/zinc/12/57/18/387125718.db2.gz GLQIRFRVZWJPAI-UHFFFAOYSA-N 0 3 247.382 3.080 20 0 BGADHN COCC1(C)CN(Cc2ccc(C(C)C)cc2)C1 ZINC000459619108 203319068 /nfs/dbraw/zinc/31/90/68/203319068.db2.gz DUXBWURHSRDZGU-UHFFFAOYSA-N 0 3 247.382 3.278 20 0 BGADHN COCC1(C)CN(C/C(C)=C/c2ccccc2)C1 ZINC000459619612 203319347 /nfs/dbraw/zinc/31/93/47/203319347.db2.gz FPMVTTOYCLKPJN-NTEUORMPSA-N 0 3 245.366 3.058 20 0 BGADHN COCC1(C)CN(C/C(C)=C\c2ccccc2)C1 ZINC000459619613 203318626 /nfs/dbraw/zinc/31/86/26/203318626.db2.gz FPMVTTOYCLKPJN-ZROIWOOFSA-N 0 3 245.366 3.058 20 0 BGADHN COc1cccc(CN2CC(C3CCCC3)C2)c1 ZINC000459619643 203319480 /nfs/dbraw/zinc/31/94/80/203319480.db2.gz UQPKDELZZQIBES-UHFFFAOYSA-N 0 3 245.366 3.317 20 0 BGADHN CC(C)=CCC[C@H](C)CCN1CC(C)(CO)C1 ZINC000459620028 203318730 /nfs/dbraw/zinc/31/87/30/203318730.db2.gz KEHKTYQBUGMVMI-AWEZNQCLSA-N 0 3 239.403 3.073 20 0 BGADHN CC(C)=CCC[C@@H](C)CCN1CC(C)(CO)C1 ZINC000459620030 203319581 /nfs/dbraw/zinc/31/95/81/203319581.db2.gz KEHKTYQBUGMVMI-CQSZACIVSA-N 0 3 239.403 3.073 20 0 BGADHN COCC1(C)CN(Cc2ccc(C3CC3)cc2)C1 ZINC000459620224 203318768 /nfs/dbraw/zinc/31/87/68/203318768.db2.gz HQRPZIDPPXQNCA-UHFFFAOYSA-N 0 3 245.366 3.032 20 0 BGADHN Oc1cccc(CN2CC(C3CCCC3)C2)c1 ZINC000459620391 387131906 /nfs/dbraw/zinc/13/19/06/387131906.db2.gz WDTJBBJJWAMDAN-UHFFFAOYSA-N 0 3 231.339 3.014 20 0 BGADHN COCC1(C)CN(CC[C@H](C)c2ccccc2)C1 ZINC000459622317 203317950 /nfs/dbraw/zinc/31/79/50/203317950.db2.gz MQCRDYUOVNXGFK-AWEZNQCLSA-N 0 3 247.382 3.149 20 0 BGADHN COCC1(C)CN(CC[C@@H](C)c2ccccc2)C1 ZINC000459622318 203319231 /nfs/dbraw/zinc/31/92/31/203319231.db2.gz MQCRDYUOVNXGFK-CQSZACIVSA-N 0 3 247.382 3.149 20 0 BGADHN COc1ccc(CN2CC(C3CCCC3)C2)cc1 ZINC000459622366 203319086 /nfs/dbraw/zinc/31/90/86/203319086.db2.gz XWCIOUAAVULGGJ-UHFFFAOYSA-N 0 3 245.366 3.317 20 0 BGADHN CCCc1cccc(CN2CC(C)(COC)C2)c1 ZINC000459623010 203319301 /nfs/dbraw/zinc/31/93/01/203319301.db2.gz OIPCMZUJXKWBCR-UHFFFAOYSA-N 0 3 247.382 3.107 20 0 BGADHN C(=C\c1ccncc1)\CN1CC(C2CCCC2)C1 ZINC000459623872 203320747 /nfs/dbraw/zinc/32/07/47/203320747.db2.gz ZMKVNTDFAJJPPJ-ARJAWSKDSA-N 0 3 242.366 3.217 20 0 BGADHN C(=C/c1ccncc1)\CN1CC(C2CCCC2)C1 ZINC000459623873 203321895 /nfs/dbraw/zinc/32/18/95/203321895.db2.gz ZMKVNTDFAJJPPJ-ONEGZZNKSA-N 0 3 242.366 3.217 20 0 BGADHN COCC1(C)CN(CCC2CCCCCC2)C1 ZINC000459624883 203320909 /nfs/dbraw/zinc/32/09/09/203320909.db2.gz VNJHSNKKJPUSMT-UHFFFAOYSA-N 0 3 239.403 3.315 20 0 BGADHN COCC1(C)CN(Cc2cc(C)c(C)cc2C)C1 ZINC000459625788 203320434 /nfs/dbraw/zinc/32/04/34/203320434.db2.gz YRAOFPFNZQBQTM-UHFFFAOYSA-N 0 3 247.382 3.080 20 0 BGADHN CCC1(C)CN(Cc2ccc(C)s2)C1 ZINC000459628294 203324797 /nfs/dbraw/zinc/32/47/97/203324797.db2.gz CJAGNUUOKHXIKP-UHFFFAOYSA-N 0 3 209.358 3.288 20 0 BGADHN CCC1(C)CN(CCCc2ccc(C)nc2)C1 ZINC000459628448 203323912 /nfs/dbraw/zinc/32/39/12/203323912.db2.gz CNDUUJFMODGMBT-UHFFFAOYSA-N 0 3 232.371 3.055 20 0 BGADHN CC[C@@H](C)CN[C@H](C)c1nc2c(s1)CCC2 ZINC000459630118 203324715 /nfs/dbraw/zinc/32/47/15/203324715.db2.gz IFNIAXGZSXBCQB-NXEZZACHSA-N 0 3 238.400 3.329 20 0 BGADHN CC[C@H](C)CN[C@@H](C)c1nc2c(s1)CCC2 ZINC000459630119 203324607 /nfs/dbraw/zinc/32/46/07/203324607.db2.gz IFNIAXGZSXBCQB-UWVGGRQHSA-N 0 3 238.400 3.329 20 0 BGADHN CC[C@H](C)CN[C@H](C)c1nc2c(s1)CCC2 ZINC000459630120 203324891 /nfs/dbraw/zinc/32/48/91/203324891.db2.gz IFNIAXGZSXBCQB-VHSXEESVSA-N 0 3 238.400 3.329 20 0 BGADHN CC[C@@H](C)CN[C@@H](C)c1nc2c(s1)CCC2 ZINC000459630122 203323737 /nfs/dbraw/zinc/32/37/37/203323737.db2.gz IFNIAXGZSXBCQB-ZJUUUORDSA-N 0 3 238.400 3.329 20 0 BGADHN Cc1ccc(CN2CC(C(C)(C)C)C2)o1 ZINC000459630128 203323393 /nfs/dbraw/zinc/32/33/93/203323393.db2.gz ACLNGXJCQWJBLF-UHFFFAOYSA-N 0 3 207.317 3.066 20 0 BGADHN CC(C)(C)C1CN(Cc2ccc3c(c2)CCO3)C1 ZINC000459630189 203324140 /nfs/dbraw/zinc/32/41/40/203324140.db2.gz AIQXVBNCFOUWDG-UHFFFAOYSA-N 0 3 245.366 3.099 20 0 BGADHN COc1cccc(CN2CC(C(C)(C)C)C2)c1 ZINC000459632067 203324639 /nfs/dbraw/zinc/32/46/39/203324639.db2.gz DFCDWSHXUJACKO-UHFFFAOYSA-N 0 3 233.355 3.173 20 0 BGADHN COc1ccccc1CN1CC(C(C)(C)C)C1 ZINC000459632084 203323062 /nfs/dbraw/zinc/32/30/62/203323062.db2.gz DMQOJVXRBGACME-UHFFFAOYSA-N 0 3 233.355 3.173 20 0 BGADHN CCO[C@H]1C[C@@H](NCc2sccc2Cl)C1 ZINC000459632232 203323119 /nfs/dbraw/zinc/32/31/19/203323119.db2.gz LFQPYEOPUILMTB-DTORHVGOSA-N 0 3 245.775 3.059 20 0 BGADHN COCc1ccc(CN2CC(C(C)(C)C)C2)cc1 ZINC000459633728 203327385 /nfs/dbraw/zinc/32/73/85/203327385.db2.gz DZRJLTJAWCTOIC-UHFFFAOYSA-N 0 3 247.382 3.311 20 0 BGADHN CCC1(C)CN(Cc2ccsc2C)C1 ZINC000459633783 203326867 /nfs/dbraw/zinc/32/68/67/203326867.db2.gz LUTBNIUQJSRVNL-UHFFFAOYSA-N 0 3 209.358 3.288 20 0 BGADHN CCC1(C)CN(Cc2cccc3[nH]ccc32)C1 ZINC000459633816 387151109 /nfs/dbraw/zinc/15/11/09/387151109.db2.gz MBJZPPYQEYYPMP-UHFFFAOYSA-N 0 3 228.339 3.400 20 0 BGADHN CCC1(C)CN(Cc2csc(C)c2)C1 ZINC000459635602 203326207 /nfs/dbraw/zinc/32/62/07/203326207.db2.gz OROCXXCXBKWKLK-UHFFFAOYSA-N 0 3 209.358 3.288 20 0 BGADHN Cc1sccc1CN[C@H]1C[C@@H](OC(C)C)C1 ZINC000459635984 203326756 /nfs/dbraw/zinc/32/67/56/203326756.db2.gz QTZYGJDXVXSCRO-BETUJISGSA-N 0 3 239.384 3.102 20 0 BGADHN CCC1(C)CN(Cc2cc(C)c(O)c(C)c2)C1 ZINC000459636085 203326594 /nfs/dbraw/zinc/32/65/94/203326594.db2.gz POCJLWAMOGNBIO-UHFFFAOYSA-N 0 3 233.355 3.241 20 0 BGADHN CCO[C@H]1C[C@@H](NCc2ccc([C@@H]3C[C@@H]3C)o2)C1 ZINC000459636917 203325951 /nfs/dbraw/zinc/32/59/51/203325951.db2.gz AGEDTIZJQWWUNV-CDGCEXEKSA-N 0 3 249.354 3.060 20 0 BGADHN CCO[C@H]1C[C@@H](NCc2ccc([C@@H]3C[C@H]3C)o2)C1 ZINC000459636918 203327332 /nfs/dbraw/zinc/32/73/32/203327332.db2.gz AGEDTIZJQWWUNV-MHDGFBEUSA-N 0 3 249.354 3.060 20 0 BGADHN CCO[C@H]1C[C@@H](NCc2ccc([C@H]3C[C@H]3C)o2)C1 ZINC000459636919 203325303 /nfs/dbraw/zinc/32/53/03/203325303.db2.gz AGEDTIZJQWWUNV-RFHZTLPTSA-N 0 3 249.354 3.060 20 0 BGADHN CCO[C@H]1C[C@@H](NCc2ccc([C@H]3C[C@@H]3C)o2)C1 ZINC000459636920 203327350 /nfs/dbraw/zinc/32/73/50/203327350.db2.gz AGEDTIZJQWWUNV-VTPLQMEGSA-N 0 3 249.354 3.060 20 0 BGADHN Cc1ccoc1CN1CC(C(C)(C)C)C1 ZINC000459637012 203326605 /nfs/dbraw/zinc/32/66/05/203326605.db2.gz HTOADBJQNFUDGV-UHFFFAOYSA-N 0 3 207.317 3.066 20 0 BGADHN CC(C)(C)C1CN(Cc2ccsc2)C1 ZINC000459637199 203326543 /nfs/dbraw/zinc/32/65/43/203326543.db2.gz LGHQAGFZOIMSQF-UHFFFAOYSA-N 0 3 209.358 3.226 20 0 BGADHN CCC1(C)CN(Cc2cccc3cccnc32)C1 ZINC000459638806 203325767 /nfs/dbraw/zinc/32/57/67/203325767.db2.gz ULFVVRYUCDQWBP-UHFFFAOYSA-N 0 3 240.350 3.467 20 0 BGADHN CCO[C@H]1C[C@@H](NCc2cc(Cl)cs2)C1 ZINC000459639126 203326340 /nfs/dbraw/zinc/32/63/40/203326340.db2.gz UWHDDYAMAVIXBA-AOOOYVTPSA-N 0 3 245.775 3.059 20 0 BGADHN COCc1cccc(CN2CC(C(C)(C)C)C2)c1 ZINC000459639373 203325994 /nfs/dbraw/zinc/32/59/94/203325994.db2.gz KNNLPOACWSLULT-UHFFFAOYSA-N 0 3 247.382 3.311 20 0 BGADHN CC1(CN2CC(C)(CC(F)(F)F)C2)CCC1 ZINC000459639553 487783665 /nfs/dbraw/zinc/78/36/65/487783665.db2.gz OYGDXMBHCQEKMC-UHFFFAOYSA-N 0 3 235.293 3.451 20 0 BGADHN CCO[C@H]1C[C@@H](NCc2coc3ccccc23)C1 ZINC000459639649 203328349 /nfs/dbraw/zinc/32/83/49/203328349.db2.gz DGJCOLSIVMMAHN-BETUJISGSA-N 0 3 245.322 3.090 20 0 BGADHN CCc1ccc(CN2CC(C(C)(C)C)C2)cn1 ZINC000459639877 203329001 /nfs/dbraw/zinc/32/90/01/203329001.db2.gz KRPDCKGHOJLTIO-UHFFFAOYSA-N 0 3 232.371 3.122 20 0 BGADHN CCC1(C)CN(Cc2ccc3ncccc3c2)C1 ZINC000459639987 203328493 /nfs/dbraw/zinc/32/84/93/203328493.db2.gz WIZSGCRPSCDCOQ-UHFFFAOYSA-N 0 3 240.350 3.467 20 0 BGADHN CCC1(C)CN(Cc2sccc2C)C1 ZINC000459639997 203328700 /nfs/dbraw/zinc/32/87/00/203328700.db2.gz WNRDHVZBBRRHAW-UHFFFAOYSA-N 0 3 209.358 3.288 20 0 BGADHN COc1ccsc1CN1CC(C(C)(C)C)C1 ZINC000459640547 203328553 /nfs/dbraw/zinc/32/85/53/203328553.db2.gz LOAHUTIMLGULSC-UHFFFAOYSA-N 0 3 239.384 3.235 20 0 BGADHN CCC1(C)CN(Cc2cccc3cc[nH]c32)C1 ZINC000459641538 203329589 /nfs/dbraw/zinc/32/95/89/203329589.db2.gz YRDTYKOYJQOZIT-UHFFFAOYSA-N 0 3 228.339 3.400 20 0 BGADHN CCO[C@H]1C[C@@H](NCc2ccsc2Cl)C1 ZINC000459641918 203328663 /nfs/dbraw/zinc/32/86/63/203328663.db2.gz YWFSHYIYVSAVCN-AOOOYVTPSA-N 0 3 245.775 3.059 20 0 BGADHN CC(C)(C)C1CN(Cc2ccc3c[nH]nc3c2)C1 ZINC000459642065 203327789 /nfs/dbraw/zinc/32/77/89/203327789.db2.gz NHCQSTYYBVBCHV-UHFFFAOYSA-N 0 3 243.354 3.041 20 0 BGADHN CC(C)(C)c1n[nH]cc1CN1CC(C(C)(C)C)C1 ZINC000459642533 203328383 /nfs/dbraw/zinc/32/83/83/203328383.db2.gz SHYMEPHUZLSRHQ-UHFFFAOYSA-N 0 3 249.402 3.185 20 0 BGADHN CC[C@@H](C)CN1CC(C)(CC(F)(F)F)C1 ZINC000459643101 203327946 /nfs/dbraw/zinc/32/79/46/203327946.db2.gz UJKFPWXRVWFWSG-SECBINFHSA-N 0 3 223.282 3.307 20 0 BGADHN CC[C@H](C)CN1CC(C)(CC(F)(F)F)C1 ZINC000459643102 203327585 /nfs/dbraw/zinc/32/75/85/203327585.db2.gz UJKFPWXRVWFWSG-VIFPVBQESA-N 0 3 223.282 3.307 20 0 BGADHN CC(C)(C)C1CN(Cc2cccs2)C1 ZINC000459643706 203328854 /nfs/dbraw/zinc/32/88/54/203328854.db2.gz VJHVTZQKWZHTNX-UHFFFAOYSA-N 0 3 209.358 3.226 20 0 BGADHN CC(C)(C)C1CN(C/C=C\c2ccncc2)C1 ZINC000459643958 203327966 /nfs/dbraw/zinc/32/79/66/203327966.db2.gz PBRUSDTVTFNFBR-PLNGDYQASA-N 0 3 230.355 3.073 20 0 BGADHN CC(C)(C)C1CN(C/C=C/c2ccncc2)C1 ZINC000459643959 387167270 /nfs/dbraw/zinc/16/72/70/387167270.db2.gz PBRUSDTVTFNFBR-SNAWJCMRSA-N 0 3 230.355 3.073 20 0 BGADHN COc1ccc(CN2CC(C(C)(C)C)C2)cc1 ZINC000459644167 203328433 /nfs/dbraw/zinc/32/84/33/203328433.db2.gz WCOGSMKTNDWVNB-UHFFFAOYSA-N 0 3 233.355 3.173 20 0 BGADHN CC(C)Cn1cc(CN2CC(C(C)(C)C)C2)cn1 ZINC000459646824 387176242 /nfs/dbraw/zinc/17/62/42/387176242.db2.gz STPHBGMNYZAZRV-UHFFFAOYSA-N 0 3 249.402 3.017 20 0 BGADHN Cc1nc(C)c(CN2CC(C(C)(C)C)C2)s1 ZINC000459648598 203328072 /nfs/dbraw/zinc/32/80/72/203328072.db2.gz UYJZFGQUPAUQER-UHFFFAOYSA-N 0 3 238.400 3.238 20 0 BGADHN Cc1nn(C(C)C)cc1CN1CC(C(C)(C)C)C1 ZINC000459649373 203329190 /nfs/dbraw/zinc/32/91/90/203329190.db2.gz VMPNBZYDAPUWHN-UHFFFAOYSA-N 0 3 249.402 3.250 20 0 BGADHN CCc1ncc(CN2CC(C(C)(C)C)C2)s1 ZINC000459649531 203327579 /nfs/dbraw/zinc/32/75/79/203327579.db2.gz VYUCWKSYNDDLTP-UHFFFAOYSA-N 0 3 238.400 3.183 20 0 BGADHN CCO[C@H]1C[C@@H](NCc2ccc(Cl)s2)C1 ZINC000459652180 203330532 /nfs/dbraw/zinc/33/05/32/203330532.db2.gz WBBVZUSJRPFSFO-DTORHVGOSA-N 0 3 245.775 3.059 20 0 BGADHN Cc1ccc(CN[C@@H]2C[C@H]2c2ccccc2F)o1 ZINC000459653059 203331808 /nfs/dbraw/zinc/33/18/08/203331808.db2.gz BESZXPLHFIOYBQ-DZGCQCFKSA-N 0 3 245.297 3.373 20 0 BGADHN CC(C)C[C@@H]1C[C@H]1NCc1cc2cccnc2o1 ZINC000459653981 203329909 /nfs/dbraw/zinc/32/99/09/203329909.db2.gz DTHQEOZJRWMKJK-TZMCWYRMSA-N 0 3 244.338 3.352 20 0 BGADHN Fc1ccccc1[C@@H]1C[C@H]1NCc1ccco1 ZINC000459654975 203331785 /nfs/dbraw/zinc/33/17/85/203331785.db2.gz HWCYLLBTUHQPCD-GXTWGEPZSA-N 0 3 231.270 3.064 20 0 BGADHN CCO[C@H]1C[C@@H](NCc2cc3ccccc3o2)C1 ZINC000459655046 206135409 /nfs/dbraw/zinc/13/54/09/206135409.db2.gz ZTCCZWVWBAEJEM-BETUJISGSA-N 0 3 245.322 3.090 20 0 BGADHN Cc1ccoc1CN[C@@H]1C[C@H]1c1ccccc1F ZINC000459655559 206136118 /nfs/dbraw/zinc/13/61/18/206136118.db2.gz IXRNILBUXKPZBL-GXTWGEPZSA-N 0 3 245.297 3.373 20 0 BGADHN Cc1ccc(CN[C@H](C)Cc2ccoc2)nc1C ZINC000459657087 203331097 /nfs/dbraw/zinc/33/10/97/203331097.db2.gz BJOICFSNLQJNOL-GFCCVEGCSA-N 0 3 244.338 3.012 20 0 BGADHN Cc1ccc(CN[C@@H](C)Cc2ccoc2)nc1C ZINC000459657088 203331188 /nfs/dbraw/zinc/33/11/88/203331188.db2.gz BJOICFSNLQJNOL-LBPRGKRZSA-N 0 3 244.338 3.012 20 0 BGADHN CC(C)C[C@@H]1C[C@H]1NCc1cnn(CC(C)C)c1 ZINC000459657132 203331176 /nfs/dbraw/zinc/33/11/76/203331176.db2.gz NBQAGRVVHIWHGL-HUUCEWRRSA-N 0 3 249.402 3.063 20 0 BGADHN Cc1nn(C(C)C)cc1CN[C@@H]1C[C@H]1CC(C)C ZINC000459657669 387173710 /nfs/dbraw/zinc/17/37/10/387173710.db2.gz OGNQFKLXOPLHRG-UKRRQHHQSA-N 0 3 249.402 3.297 20 0 BGADHN CCc1ccc(CN[C@@H]2C[C@H]2CC(C)C)cn1 ZINC000459658844 203331730 /nfs/dbraw/zinc/33/17/30/203331730.db2.gz QQVDNPITHXLLSL-UKRRQHHQSA-N 0 3 232.371 3.168 20 0 BGADHN COc1ccsc1CN[C@@H]1C[C@H]1CC(C)C ZINC000459658846 203330160 /nfs/dbraw/zinc/33/01/60/203330160.db2.gz QRJFNGPUFZUNTC-GHMZBOCLSA-N 0 3 239.384 3.281 20 0 BGADHN Cc1ccnc([C@H](C)N[C@@H]2C[C@H]2CC(C)C)c1 ZINC000459659204 203331790 /nfs/dbraw/zinc/33/17/90/203331790.db2.gz QXHBMBJRNLNAGJ-GZBFAFLISA-N 0 3 232.371 3.475 20 0 BGADHN Cc1ccnc([C@@H](C)N[C@@H]2C[C@H]2CC(C)C)c1 ZINC000459659206 203331304 /nfs/dbraw/zinc/33/13/04/203331304.db2.gz QXHBMBJRNLNAGJ-UMVBOHGHSA-N 0 3 232.371 3.475 20 0 BGADHN CC(C)C1CC(N[C@@H](C)c2cncc(F)c2)C1 ZINC000459659723 203329927 /nfs/dbraw/zinc/32/99/27/203329927.db2.gz ZLXXYVVAGKLPQR-IFQILLTASA-N 0 3 236.334 3.306 20 0 BGADHN Cc1ccc(CN[C@H](C)CCC2CC2)nc1C ZINC000459663100 203332610 /nfs/dbraw/zinc/33/26/10/203332610.db2.gz HXVLKSFQEVQGKK-GFCCVEGCSA-N 0 3 232.371 3.367 20 0 BGADHN Cc1ccc(CN[C@@H](C)CCC2CC2)nc1C ZINC000459663101 203332882 /nfs/dbraw/zinc/33/28/82/203332882.db2.gz HXVLKSFQEVQGKK-LBPRGKRZSA-N 0 3 232.371 3.367 20 0 BGADHN CC(C)C[C@@H]1C[C@H]1NCc1c[nH]nc1C(C)(C)C ZINC000459663346 203333199 /nfs/dbraw/zinc/33/31/99/203333199.db2.gz DMYMCOQAUNNYCR-DGCLKSJQSA-N 0 3 249.402 3.231 20 0 BGADHN CCOc1cccc(CN[C@@H]2C[C@H]2CC(C)C)n1 ZINC000459663348 203332196 /nfs/dbraw/zinc/33/21/96/203332196.db2.gz DNEYTOFUHUELJA-TZMCWYRMSA-N 0 3 248.370 3.005 20 0 BGADHN Cc1cc(CN[C@H]2C[C@@H](OC(C)C)C2)cs1 ZINC000459666304 203332829 /nfs/dbraw/zinc/33/28/29/203332829.db2.gz RKXRBUHQKOJXJC-BETUJISGSA-N 0 3 239.384 3.102 20 0 BGADHN Cc1ncc(CN[C@H](C)Cc2ccccc2C)o1 ZINC000459667441 387182444 /nfs/dbraw/zinc/18/24/44/387182444.db2.gz ARINIFYNRQNRGR-GFCCVEGCSA-N 0 3 244.338 3.012 20 0 BGADHN Cc1ncc(CN[C@@H](C)Cc2ccccc2C)o1 ZINC000459667443 387182739 /nfs/dbraw/zinc/18/27/39/387182739.db2.gz ARINIFYNRQNRGR-LBPRGKRZSA-N 0 3 244.338 3.012 20 0 BGADHN CC(C)=CCC[C@@H](C)NCc1cnc(C)o1 ZINC000459668539 203333602 /nfs/dbraw/zinc/33/36/02/203333602.db2.gz BRHUNTYWLPUPOO-LLVKDONJSA-N 0 3 222.332 3.208 20 0 BGADHN CC(C)=CCC[C@H](C)NCc1cnc(C)o1 ZINC000459668540 203333144 /nfs/dbraw/zinc/33/31/44/203333144.db2.gz BRHUNTYWLPUPOO-NSHDSACASA-N 0 3 222.332 3.208 20 0 BGADHN Cc1ncc(CN[C@@H](C)[C@@H](C)c2ccccc2)o1 ZINC000459668574 203333953 /nfs/dbraw/zinc/33/39/53/203333953.db2.gz BWVKEZQWXHRCQI-NEPJUHHUSA-N 0 3 244.338 3.265 20 0 BGADHN Cc1ncc(CN[C@H](C)[C@H](C)c2ccccc2)o1 ZINC000459668576 203333357 /nfs/dbraw/zinc/33/33/57/203333357.db2.gz BWVKEZQWXHRCQI-NWDGAFQWSA-N 0 3 244.338 3.265 20 0 BGADHN Cc1ncc(CN[C@@H](C)[C@H](C)c2ccccc2)o1 ZINC000459668577 203333643 /nfs/dbraw/zinc/33/36/43/203333643.db2.gz BWVKEZQWXHRCQI-RYUDHWBXSA-N 0 3 244.338 3.265 20 0 BGADHN Cc1ncc(CN[C@H](C)[C@@H](C)c2ccccc2)o1 ZINC000459668578 203332605 /nfs/dbraw/zinc/33/26/05/203332605.db2.gz BWVKEZQWXHRCQI-VXGBXAGGSA-N 0 3 244.338 3.265 20 0 BGADHN CCCC[C@@H](C)[C@@H](C)NCc1cnc(C)o1 ZINC000459670930 203333963 /nfs/dbraw/zinc/33/39/63/203333963.db2.gz FZITXPBOGBGBGZ-GHMZBOCLSA-N 0 3 224.348 3.287 20 0 BGADHN CCCC[C@@H](C)[C@H](C)NCc1cnc(C)o1 ZINC000459670931 203333207 /nfs/dbraw/zinc/33/32/07/203333207.db2.gz FZITXPBOGBGBGZ-MNOVXSKESA-N 0 3 224.348 3.287 20 0 BGADHN CCCC[C@H](C)[C@H](C)NCc1cnc(C)o1 ZINC000459670932 203332410 /nfs/dbraw/zinc/33/24/10/203332410.db2.gz FZITXPBOGBGBGZ-QWRGUYRKSA-N 0 3 224.348 3.287 20 0 BGADHN CCCC[C@H](C)[C@@H](C)NCc1cnc(C)o1 ZINC000459670933 203333230 /nfs/dbraw/zinc/33/32/30/203333230.db2.gz FZITXPBOGBGBGZ-WDEREUQCSA-N 0 3 224.348 3.287 20 0 BGADHN CCOC[C@H]1CCCCN1Cc1cccs1 ZINC000459671433 203333907 /nfs/dbraw/zinc/33/39/07/203333907.db2.gz GMGCQLKQSOGEKF-GFCCVEGCSA-N 0 3 239.384 3.139 20 0 BGADHN CCOC[C@@H]1CCCCN1Cc1cccs1 ZINC000459671435 203333978 /nfs/dbraw/zinc/33/39/78/203333978.db2.gz GMGCQLKQSOGEKF-LBPRGKRZSA-N 0 3 239.384 3.139 20 0 BGADHN Cc1ncc(CN[C@H](C)[C@H]2CCCC[C@H]2C)o1 ZINC000459674187 203335504 /nfs/dbraw/zinc/33/55/04/203335504.db2.gz KIHJQTWUMBQQLM-GYSYKLTISA-N 0 3 236.359 3.287 20 0 BGADHN Cc1ncc(CN[C@H](C)[C@@H]2CCCC[C@H]2C)o1 ZINC000459674189 203334172 /nfs/dbraw/zinc/33/41/72/203334172.db2.gz KIHJQTWUMBQQLM-JTNHKYCSSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1ncc(CN[C@H](C)[C@@H]2CCCC[C@@H]2C)o1 ZINC000459674191 203334222 /nfs/dbraw/zinc/33/42/22/203334222.db2.gz KIHJQTWUMBQQLM-MISXGVKJSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1ncc(CN[C@H](C)[C@H]2CCCC[C@@H]2C)o1 ZINC000459674192 203335863 /nfs/dbraw/zinc/33/58/63/203335863.db2.gz KIHJQTWUMBQQLM-WDMOLILDSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1ncc(CN[C@H]2CCCC[C@H]2C2CC2)o1 ZINC000459674275 203335691 /nfs/dbraw/zinc/33/56/91/203335691.db2.gz KTABVHVDNHGDRL-KBPBESRZSA-N 0 3 234.343 3.041 20 0 BGADHN Cc1ncc(CN[C@H]2CCCC[C@@H]2C2CC2)o1 ZINC000459674278 203335899 /nfs/dbraw/zinc/33/58/99/203335899.db2.gz KTABVHVDNHGDRL-KGLIPLIRSA-N 0 3 234.343 3.041 20 0 BGADHN Cc1ncc(CN[C@@H]2CCCC[C@H]2C2CC2)o1 ZINC000459674280 203335665 /nfs/dbraw/zinc/33/56/65/203335665.db2.gz KTABVHVDNHGDRL-UONOGXRCSA-N 0 3 234.343 3.041 20 0 BGADHN Cc1ncc(CN[C@@H]2CCCC[C@@H]2C2CC2)o1 ZINC000459674282 203334268 /nfs/dbraw/zinc/33/42/68/203334268.db2.gz KTABVHVDNHGDRL-ZIAGYGMSSA-N 0 3 234.343 3.041 20 0 BGADHN Cc1ncc(CN[C@@H](C)CC2CCCC2)o1 ZINC000459674348 203335558 /nfs/dbraw/zinc/33/55/58/203335558.db2.gz LAKKCILZAVTDSZ-JTQLQIEISA-N 0 3 222.332 3.041 20 0 BGADHN Cc1ncc(CN[C@H](C)CC2CCCC2)o1 ZINC000459674350 203335455 /nfs/dbraw/zinc/33/54/55/203335455.db2.gz LAKKCILZAVTDSZ-SNVBAGLBSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1ccc(CN[C@H]2CC[C@@H]2C(C)C)nc1C ZINC000459674883 487788332 /nfs/dbraw/zinc/78/83/32/487788332.db2.gz SDAUQGZWMRIJMG-CABCVRRESA-N 0 3 232.371 3.223 20 0 BGADHN Cc1ccc(CN[C@H]2CC[C@H]2C(C)C)nc1C ZINC000459674887 487788427 /nfs/dbraw/zinc/78/84/27/487788427.db2.gz SDAUQGZWMRIJMG-GJZGRUSLSA-N 0 3 232.371 3.223 20 0 BGADHN Cc1ccc(CN[C@@H]2CC[C@@H]2C(C)C)nc1C ZINC000459674889 487788190 /nfs/dbraw/zinc/78/81/90/487788190.db2.gz SDAUQGZWMRIJMG-HUUCEWRRSA-N 0 3 232.371 3.223 20 0 BGADHN Cc1ccc(CN[C@@H]2CC[C@H]2C(C)C)nc1C ZINC000459674890 487788464 /nfs/dbraw/zinc/78/84/64/487788464.db2.gz SDAUQGZWMRIJMG-LSDHHAIUSA-N 0 3 232.371 3.223 20 0 BGADHN Cc1ccc(CN[C@H]2CC[C@@H]2C2CCC2)nc1C ZINC000459675404 203335591 /nfs/dbraw/zinc/33/55/91/203335591.db2.gz SPSSHLNDZIOSGO-CVEARBPZSA-N 0 3 244.382 3.367 20 0 BGADHN Cc1ccc(CN[C@H]2CC[C@H]2C2CCC2)nc1C ZINC000459675405 203334770 /nfs/dbraw/zinc/33/47/70/203334770.db2.gz SPSSHLNDZIOSGO-HOTGVXAUSA-N 0 3 244.382 3.367 20 0 BGADHN Cc1ccc(CN[C@@H]2CC[C@@H]2C2CCC2)nc1C ZINC000459675407 387194951 /nfs/dbraw/zinc/19/49/51/387194951.db2.gz SPSSHLNDZIOSGO-HZPDHXFCSA-N 0 3 244.382 3.367 20 0 BGADHN Cc1ccc(CN[C@@H]2CC[C@H]2C2CCC2)nc1C ZINC000459675417 387195423 /nfs/dbraw/zinc/19/54/23/387195423.db2.gz SPSSHLNDZIOSGO-JKSUJKDBSA-N 0 3 244.382 3.367 20 0 BGADHN CC[C@H](CNCc1cnc(C)o1)c1ccccc1 ZINC000459677130 387212492 /nfs/dbraw/zinc/21/24/92/387212492.db2.gz PGSAIZFBDOXVTP-CYBMUJFWSA-N 0 3 244.338 3.266 20 0 BGADHN CC[C@@H](CNCc1cnc(C)o1)c1ccccc1 ZINC000459677134 387211911 /nfs/dbraw/zinc/21/19/11/387211911.db2.gz PGSAIZFBDOXVTP-ZDUSSCGKSA-N 0 3 244.338 3.266 20 0 BGADHN CCC1(C)CCC(NCc2cnc(C)o2)CC1 ZINC000459677224 203334241 /nfs/dbraw/zinc/33/42/41/203334241.db2.gz PNHRUZOVBYBVEA-UHFFFAOYSA-N 0 3 236.359 3.432 20 0 BGADHN Cc1ncc(CN[C@H](C)CCCC(C)C)o1 ZINC000459678058 203334879 /nfs/dbraw/zinc/33/48/79/203334879.db2.gz QMOKRCVLQDAMQQ-LLVKDONJSA-N 0 3 224.348 3.287 20 0 BGADHN Cc1ncc(CN[C@@H](C)CCCC(C)C)o1 ZINC000459678059 203336317 /nfs/dbraw/zinc/33/63/17/203336317.db2.gz QMOKRCVLQDAMQQ-NSHDSACASA-N 0 3 224.348 3.287 20 0 BGADHN Cc1ncc(CN[C@H](C)C2CCCCCC2)o1 ZINC000459678646 387199658 /nfs/dbraw/zinc/19/96/58/387199658.db2.gz RYETXQNPGLEHRH-LLVKDONJSA-N 0 3 236.359 3.432 20 0 BGADHN Cc1ncc(CN[C@@H](C)C2CCCCCC2)o1 ZINC000459678647 387199203 /nfs/dbraw/zinc/19/92/03/387199203.db2.gz RYETXQNPGLEHRH-NSHDSACASA-N 0 3 236.359 3.432 20 0 BGADHN Cc1ncc(CNC[C@H](C)c2ccc(F)cc2)o1 ZINC000459680195 203334893 /nfs/dbraw/zinc/33/48/93/203334893.db2.gz VDRDCNHXDVGBCP-JTQLQIEISA-N 0 3 248.301 3.015 20 0 BGADHN Cc1ncc(CNC[C@@H](C)c2ccc(F)cc2)o1 ZINC000459680196 203335999 /nfs/dbraw/zinc/33/59/99/203335999.db2.gz VDRDCNHXDVGBCP-SNVBAGLBSA-N 0 3 248.301 3.015 20 0 BGADHN Cc1ncc(CNC[C@@H]2C(C)=CCC[C@H]2C)o1 ZINC000459680840 203334622 /nfs/dbraw/zinc/33/46/22/203334622.db2.gz WDXSOCSZOXXHIS-BXUZGUMPSA-N 0 3 234.343 3.065 20 0 BGADHN Cc1ncc(CNC[C@H]2C(C)=CCC[C@@H]2C)o1 ZINC000459680842 203334615 /nfs/dbraw/zinc/33/46/15/203334615.db2.gz WDXSOCSZOXXHIS-FZMZJTMJSA-N 0 3 234.343 3.065 20 0 BGADHN Cc1ncc(CNC[C@H]2C(C)=CCC[C@H]2C)o1 ZINC000459680843 203335818 /nfs/dbraw/zinc/33/58/18/203335818.db2.gz WDXSOCSZOXXHIS-RISCZKNCSA-N 0 3 234.343 3.065 20 0 BGADHN Cc1ncc(CNC[C@@H]2C(C)=CCC[C@@H]2C)o1 ZINC000459680845 203335610 /nfs/dbraw/zinc/33/56/10/203335610.db2.gz WDXSOCSZOXXHIS-SMDDNHRTSA-N 0 3 234.343 3.065 20 0 BGADHN Cc1ncc(CN[C@H](C)CCC2CCCC2)o1 ZINC000459680904 203334836 /nfs/dbraw/zinc/33/48/36/203334836.db2.gz WKYKBJNZZNREKK-LLVKDONJSA-N 0 3 236.359 3.432 20 0 BGADHN Cc1ncc(CN[C@@H](C)CCC2CCCC2)o1 ZINC000459680906 203336211 /nfs/dbraw/zinc/33/62/11/203336211.db2.gz WKYKBJNZZNREKK-NSHDSACASA-N 0 3 236.359 3.432 20 0 BGADHN CCOC[C@H]1CCCCN1Cc1ccsc1 ZINC000459680936 203335881 /nfs/dbraw/zinc/33/58/81/203335881.db2.gz WRMHSWZMRJEEDO-CYBMUJFWSA-N 0 3 239.384 3.139 20 0 BGADHN CCOC[C@@H]1CCCCN1Cc1ccsc1 ZINC000459680937 203334757 /nfs/dbraw/zinc/33/47/57/203334757.db2.gz WRMHSWZMRJEEDO-ZDUSSCGKSA-N 0 3 239.384 3.139 20 0 BGADHN Cc1ncc(CN[C@H](C)C2C(C)(C)C2(C)C)o1 ZINC000459681775 203335800 /nfs/dbraw/zinc/33/58/00/203335800.db2.gz XTVINDYFCYDCAJ-SECBINFHSA-N 0 3 236.359 3.143 20 0 BGADHN Cc1ncc(CN[C@@H](C)C2C(C)(C)C2(C)C)o1 ZINC000459681777 203335259 /nfs/dbraw/zinc/33/52/59/203335259.db2.gz XTVINDYFCYDCAJ-VIFPVBQESA-N 0 3 236.359 3.143 20 0 BGADHN CCCC[C@H]1CCC[C@H]1NCc1cnc(C)o1 ZINC000459683193 203334360 /nfs/dbraw/zinc/33/43/60/203334360.db2.gz ZVXRKXYQUDOSLF-GXTWGEPZSA-N 0 3 236.359 3.432 20 0 BGADHN CCCC[C@H]1CCC[C@@H]1NCc1cnc(C)o1 ZINC000459683196 203334462 /nfs/dbraw/zinc/33/44/62/203334462.db2.gz ZVXRKXYQUDOSLF-JSGCOSHPSA-N 0 3 236.359 3.432 20 0 BGADHN CCCC[C@@H]1CCC[C@@H]1NCc1cnc(C)o1 ZINC000459683199 203336072 /nfs/dbraw/zinc/33/60/72/203336072.db2.gz ZVXRKXYQUDOSLF-OCCSQVGLSA-N 0 3 236.359 3.432 20 0 BGADHN CCCC[C@@H]1CCC[C@H]1NCc1cnc(C)o1 ZINC000459683200 203335826 /nfs/dbraw/zinc/33/58/26/203335826.db2.gz ZVXRKXYQUDOSLF-TZMCWYRMSA-N 0 3 236.359 3.432 20 0 BGADHN Clc1cccc2c1CN(CC1CC1)CC2 ZINC000459721134 203342588 /nfs/dbraw/zinc/34/25/88/203342588.db2.gz ZPNSNNUNDGJWTI-UHFFFAOYSA-N 0 3 221.731 3.108 20 0 BGADHN Cc1ccc(CN(C)C2CC(C)(C)C2)o1 ZINC000459722812 203334784 /nfs/dbraw/zinc/33/47/84/203334784.db2.gz CAQQCNQDUGCPMN-UHFFFAOYSA-N 0 3 207.317 3.208 20 0 BGADHN COc1c(O)cccc1CN(C)C1CC(C)(C)C1 ZINC000459723831 203342221 /nfs/dbraw/zinc/34/22/21/203342221.db2.gz DAJDIXBJIQWMIL-UHFFFAOYSA-N 0 3 249.354 3.021 20 0 BGADHN CCn1nc(C)c(CN(C)C2CC(C)(C)C2)c1C ZINC000459723928 203342067 /nfs/dbraw/zinc/34/20/67/203342067.db2.gz DJJARRARRVEHDI-UHFFFAOYSA-N 0 3 249.402 3.140 20 0 BGADHN CC(C)Cn1cc(CN(C)C2CC(C)(C)C2)cn1 ZINC000459724439 203343041 /nfs/dbraw/zinc/34/30/41/203343041.db2.gz DPJSSRSWQYHFJP-UHFFFAOYSA-N 0 3 249.402 3.160 20 0 BGADHN CN(Cc1cccs1)C1CC(C)(C)C1 ZINC000459725970 203343171 /nfs/dbraw/zinc/34/31/71/203343171.db2.gz FUAKVOLPTSGOBH-UHFFFAOYSA-N 0 3 209.358 3.369 20 0 BGADHN COCc1ccc(CN(C)C2CC(C)(C)C2)o1 ZINC000459728591 203343521 /nfs/dbraw/zinc/34/35/21/203343521.db2.gz IKKKDHWRFYLEGW-UHFFFAOYSA-N 0 3 237.343 3.046 20 0 BGADHN Cc1csc(CNC2(C3CCC3)CCC2)n1 ZINC000459729497 203343919 /nfs/dbraw/zinc/34/39/19/203343919.db2.gz AURXJUBFGDXLLN-UHFFFAOYSA-N 0 3 236.384 3.264 20 0 BGADHN C[N@@H+](Cc1cc([O-])cc(F)c1)C1CC(C)(C)C1 ZINC000459729501 387274619 /nfs/dbraw/zinc/27/46/19/387274619.db2.gz JKUQJGWNOJCJFA-UHFFFAOYSA-N 0 3 237.318 3.152 20 0 BGADHN C[N@H+](Cc1cc([O-])cc(F)c1)C1CC(C)(C)C1 ZINC000459729501 387274611 /nfs/dbraw/zinc/27/46/11/387274611.db2.gz JKUQJGWNOJCJFA-UHFFFAOYSA-N 0 3 237.318 3.152 20 0 BGADHN c1coc(CNC2(C3CCC3)CCC2)c1 ZINC000459729519 203345291 /nfs/dbraw/zinc/34/52/91/203345291.db2.gz AVEJMKDERJWUOR-UHFFFAOYSA-N 0 3 205.301 3.092 20 0 BGADHN Cc1nc(CNC2(C3CCC3)CCC2)cs1 ZINC000459729627 203343555 /nfs/dbraw/zinc/34/35/55/203343555.db2.gz BDUXWMWRIAGKCN-UHFFFAOYSA-N 0 3 236.384 3.264 20 0 BGADHN CN(Cc1cccc2c1OCO2)C1CC(C)(C)C1 ZINC000459729910 203345216 /nfs/dbraw/zinc/34/52/16/203345216.db2.gz JMIPPQFMNQFWJF-UHFFFAOYSA-N 0 3 247.338 3.036 20 0 BGADHN CN(Cc1cccc(O)c1)C1CC(C)(C)C1 ZINC000459729945 203344247 /nfs/dbraw/zinc/34/42/47/203344247.db2.gz JNYOABKLUKADOZ-UHFFFAOYSA-N 0 3 219.328 3.013 20 0 BGADHN CCc1ccc(CN(C)C2CC(C)(C)C2)cn1 ZINC000459730010 203345275 /nfs/dbraw/zinc/34/52/75/203345275.db2.gz JQVLOXCQVIZUSO-UHFFFAOYSA-N 0 3 232.371 3.264 20 0 BGADHN CCOc1cccc(CN(C)C2CC(C)(C)C2)n1 ZINC000459730480 203345891 /nfs/dbraw/zinc/34/58/91/203345891.db2.gz KFPCDFWLJUWPGQ-UHFFFAOYSA-N 0 3 248.370 3.101 20 0 BGADHN CN(Cc1c[nH]nc1C(C)(C)C)C1CC(C)(C)C1 ZINC000459731279 203345794 /nfs/dbraw/zinc/34/57/94/203345794.db2.gz LFCPMKHQZJLQMV-UHFFFAOYSA-N 0 3 249.402 3.328 20 0 BGADHN Cc1ccc(CNC2(C3CCC3)CCC2)o1 ZINC000459731775 203345352 /nfs/dbraw/zinc/34/53/52/203345352.db2.gz CQWIDSPDEKBJEH-UHFFFAOYSA-N 0 3 219.328 3.400 20 0 BGADHN CC[C@@H]1OCC[C@H]1NCc1cccc2ccoc21 ZINC000459733134 203345055 /nfs/dbraw/zinc/34/50/55/203345055.db2.gz AFUCCFKTQFZQDU-KGLIPLIRSA-N 0 3 245.322 3.090 20 0 BGADHN CC[C@@H]1OCC[C@H]1NCc1cc(C)sc1C ZINC000459733644 203345303 /nfs/dbraw/zinc/34/53/03/203345303.db2.gz AYSYAMJYMPQXNV-OLZOCXBDSA-N 0 3 239.384 3.022 20 0 BGADHN CC[C@@H]1OCC[C@H]1NCc1ccc(Cl)s1 ZINC000459735246 203346395 /nfs/dbraw/zinc/34/63/95/203346395.db2.gz DSIJXGBTMFLFMU-ZJUUUORDSA-N 0 3 245.775 3.059 20 0 BGADHN CC(C)CCC[C@@H](C)N[C@H](C)c1ccn(C)n1 ZINC000459735339 203346277 /nfs/dbraw/zinc/34/62/77/203346277.db2.gz AMXNRPSBJKFUQJ-CHWSQXEVSA-N 0 3 237.391 3.286 20 0 BGADHN CC(C)CCC[C@@H](C)N[C@@H](C)c1ccn(C)n1 ZINC000459735341 203347657 /nfs/dbraw/zinc/34/76/57/203347657.db2.gz AMXNRPSBJKFUQJ-OLZOCXBDSA-N 0 3 237.391 3.286 20 0 BGADHN CC(C)CCC[C@H](C)N[C@H](C)c1ccn(C)n1 ZINC000459735342 203346132 /nfs/dbraw/zinc/34/61/32/203346132.db2.gz AMXNRPSBJKFUQJ-QWHCGFSZSA-N 0 3 237.391 3.286 20 0 BGADHN CC(C)CCC[C@H](C)N[C@@H](C)c1ccn(C)n1 ZINC000459735344 203346695 /nfs/dbraw/zinc/34/66/95/203346695.db2.gz AMXNRPSBJKFUQJ-STQMWFEESA-N 0 3 237.391 3.286 20 0 BGADHN C[C@@H](N[C@H](C)C1CCCCCC1)c1ccn(C)n1 ZINC000459736107 203346182 /nfs/dbraw/zinc/34/61/82/203346182.db2.gz ATPADSDOCMTISQ-CHWSQXEVSA-N 0 3 249.402 3.430 20 0 BGADHN C[C@@H](N[C@@H](C)c1ccn(C)n1)C1CCCCCC1 ZINC000459736108 203347315 /nfs/dbraw/zinc/34/73/15/203347315.db2.gz ATPADSDOCMTISQ-OLZOCXBDSA-N 0 3 249.402 3.430 20 0 BGADHN C[C@@H](N[C@@H](C)C1CCCCCC1)c1ccn(C)n1 ZINC000459736109 203347711 /nfs/dbraw/zinc/34/77/11/203347711.db2.gz ATPADSDOCMTISQ-QWHCGFSZSA-N 0 3 249.402 3.430 20 0 BGADHN C[C@H](N[C@@H](C)C1CCCCCC1)c1ccn(C)n1 ZINC000459736110 203346512 /nfs/dbraw/zinc/34/65/12/203346512.db2.gz ATPADSDOCMTISQ-STQMWFEESA-N 0 3 249.402 3.430 20 0 BGADHN COCc1ccc(CNC2(C3CCC3)CCC2)o1 ZINC000459736154 203346229 /nfs/dbraw/zinc/34/62/29/203346229.db2.gz GXEIJRNESVEOFU-UHFFFAOYSA-N 0 3 249.354 3.238 20 0 BGADHN C[C@@H](NCCC1CCCCC1)c1ccn(C)n1 ZINC000459736187 203347822 /nfs/dbraw/zinc/34/78/22/203347822.db2.gz BCILVJINCCGMEZ-GFCCVEGCSA-N 0 3 235.375 3.041 20 0 BGADHN C[C@H](NCCC1CCCCC1)c1ccn(C)n1 ZINC000459736188 203347962 /nfs/dbraw/zinc/34/79/62/203347962.db2.gz BCILVJINCCGMEZ-LBPRGKRZSA-N 0 3 235.375 3.041 20 0 BGADHN Cc1cnc(CNC2(C3CCC3)CCC2)s1 ZINC000459736694 203347718 /nfs/dbraw/zinc/34/77/18/203347718.db2.gz HDDQCYJUXYJWGV-UHFFFAOYSA-N 0 3 236.384 3.264 20 0 BGADHN CCC1CCC(N[C@@H](C)c2ccn(C)n2)CC1 ZINC000459736908 203346724 /nfs/dbraw/zinc/34/67/24/203346724.db2.gz BXYCTRYXFKMCBH-HIFPTAJRSA-N 0 3 235.375 3.040 20 0 BGADHN CCC1CCC(N[C@H](C)c2ccn(C)n2)CC1 ZINC000459736909 203347978 /nfs/dbraw/zinc/34/79/78/203347978.db2.gz BXYCTRYXFKMCBH-PNESKVBLSA-N 0 3 235.375 3.040 20 0 BGADHN CCCC1CCC(N[C@@H](C)c2ccn(C)n2)CC1 ZINC000459737327 203348287 /nfs/dbraw/zinc/34/82/87/203348287.db2.gz CBLCQHQELHPWBG-HSBZDZAISA-N 0 3 249.402 3.430 20 0 BGADHN CCCC1CCC(N[C@H](C)c2ccn(C)n2)CC1 ZINC000459737331 203346307 /nfs/dbraw/zinc/34/63/07/203346307.db2.gz CBLCQHQELHPWBG-IYXRBSQSSA-N 0 3 249.402 3.430 20 0 BGADHN Cc1ccc(CN(C)C2CC(C)(C)C2)c(C)n1 ZINC000459738833 203350453 /nfs/dbraw/zinc/35/04/53/203350453.db2.gz JPVCDDHSBCXGCW-UHFFFAOYSA-N 0 3 232.371 3.319 20 0 BGADHN CC[C@@H]1OCC[C@H]1NCc1ccc2occc2c1 ZINC000459739390 203349385 /nfs/dbraw/zinc/34/93/85/203349385.db2.gz KKBPJICCJQBRMC-KGLIPLIRSA-N 0 3 245.322 3.090 20 0 BGADHN COc1ccccc1CN(C)C1CC(C)(C)C1 ZINC000459739636 203349709 /nfs/dbraw/zinc/34/97/09/203349709.db2.gz TUANIMJACJUVRH-UHFFFAOYSA-N 0 3 233.355 3.316 20 0 BGADHN Clc1ccc(CN[C@@H]2CCC[C@@H]3C[C@@H]32)o1 ZINC000459739920 203350314 /nfs/dbraw/zinc/35/03/14/203350314.db2.gz AZWCBEOBMSBBGP-DVVUODLYSA-N 0 3 225.719 3.211 20 0 BGADHN Clc1ccc(CN[C@H]2CCC[C@@H]3C[C@@H]32)o1 ZINC000459739921 203349102 /nfs/dbraw/zinc/34/91/02/203349102.db2.gz AZWCBEOBMSBBGP-MIMYLULJSA-N 0 3 225.719 3.211 20 0 BGADHN C[C@@H](N[C@H](C)C1C(C)(C)C1(C)C)c1ccn(C)n1 ZINC000459740109 203349558 /nfs/dbraw/zinc/34/95/58/203349558.db2.gz DMJRFMZDTPJSMZ-GHMZBOCLSA-N 0 3 249.402 3.141 20 0 BGADHN C[C@@H](N[C@@H](C)C1C(C)(C)C1(C)C)c1ccn(C)n1 ZINC000459740114 203348499 /nfs/dbraw/zinc/34/84/99/203348499.db2.gz DMJRFMZDTPJSMZ-MNOVXSKESA-N 0 3 249.402 3.141 20 0 BGADHN C[C@H](N[C@@H](C)C1C(C)(C)C1(C)C)c1ccn(C)n1 ZINC000459740116 203350151 /nfs/dbraw/zinc/35/01/51/203350151.db2.gz DMJRFMZDTPJSMZ-QWRGUYRKSA-N 0 3 249.402 3.141 20 0 BGADHN C[C@@H](N[C@@H](C)c1ccn(C)n1)C1C(C)(C)C1(C)C ZINC000459740121 203350162 /nfs/dbraw/zinc/35/01/62/203350162.db2.gz DMJRFMZDTPJSMZ-WDEREUQCSA-N 0 3 249.402 3.141 20 0 BGADHN CCc1ncc(CN(C)C2CC(C)(C)C2)s1 ZINC000459740519 203350338 /nfs/dbraw/zinc/35/03/38/203350338.db2.gz UNLYPMKLISCRSC-UHFFFAOYSA-N 0 3 238.400 3.326 20 0 BGADHN C[C@@H](NC[C@@H]1CCCC(C)(C)C1)c1ccn(C)n1 ZINC000459740613 203349009 /nfs/dbraw/zinc/34/90/09/203349009.db2.gz FBGKPFROCJTALF-CHWSQXEVSA-N 0 3 249.402 3.287 20 0 BGADHN C[C@@H](NC[C@H]1CCCC(C)(C)C1)c1ccn(C)n1 ZINC000459740617 203349892 /nfs/dbraw/zinc/34/98/92/203349892.db2.gz FBGKPFROCJTALF-OLZOCXBDSA-N 0 3 249.402 3.287 20 0 BGADHN C[C@H](NC[C@@H]1CCCC(C)(C)C1)c1ccn(C)n1 ZINC000459740621 203349293 /nfs/dbraw/zinc/34/92/93/203349293.db2.gz FBGKPFROCJTALF-QWHCGFSZSA-N 0 3 249.402 3.287 20 0 BGADHN C[C@H](NC[C@H]1CCCC(C)(C)C1)c1ccn(C)n1 ZINC000459740625 203350113 /nfs/dbraw/zinc/35/01/13/203350113.db2.gz FBGKPFROCJTALF-STQMWFEESA-N 0 3 249.402 3.287 20 0 BGADHN CN(CCC(F)(F)F)C1CC(C)(C)C1 ZINC000459740837 203350208 /nfs/dbraw/zinc/35/02/08/203350208.db2.gz MJWWPUMWQZNGDE-UHFFFAOYSA-N 0 3 209.255 3.059 20 0 BGADHN COc1ccsc1CN(C)C1CC(C)(C)C1 ZINC000459741051 203350399 /nfs/dbraw/zinc/35/03/99/203350399.db2.gz UYPGTOVNXCGWDC-UHFFFAOYSA-N 0 3 239.384 3.377 20 0 BGADHN CC(C)C1CCC(N[C@@H](C)c2ccn(C)n2)CC1 ZINC000459741178 203350275 /nfs/dbraw/zinc/35/02/75/203350275.db2.gz FEOVGTKXXIZLPS-HSBZDZAISA-N 0 3 249.402 3.286 20 0 BGADHN CC(C)C1CCC(N[C@H](C)c2ccn(C)n2)CC1 ZINC000459741183 203348458 /nfs/dbraw/zinc/34/84/58/203348458.db2.gz FEOVGTKXXIZLPS-IYXRBSQSSA-N 0 3 249.402 3.286 20 0 BGADHN CC[C@@H]1OCC[C@H]1NCc1coc2ccccc12 ZINC000459742422 203351957 /nfs/dbraw/zinc/35/19/57/203351957.db2.gz OESHRASXOUKDFX-KGLIPLIRSA-N 0 3 245.322 3.090 20 0 BGADHN C[C@@H](NCCCC1CCCCC1)c1ccn(C)n1 ZINC000459742917 203351038 /nfs/dbraw/zinc/35/10/38/203351038.db2.gz GJDAAKSQCRUODO-CYBMUJFWSA-N 0 3 249.402 3.431 20 0 BGADHN C[C@H](NCCCC1CCCCC1)c1ccn(C)n1 ZINC000459742920 203352356 /nfs/dbraw/zinc/35/23/56/203352356.db2.gz GJDAAKSQCRUODO-ZDUSSCGKSA-N 0 3 249.402 3.431 20 0 BGADHN CC(C)n1cc(CN(C)C2CC(C)(C)C2)cn1 ZINC000459743156 203351091 /nfs/dbraw/zinc/35/10/91/203351091.db2.gz WOYYRUBRMKLTMR-UHFFFAOYSA-N 0 3 235.375 3.084 20 0 BGADHN CN(Cc1cnn(C(C)(C)C)c1)C1CC(C)(C)C1 ZINC000459743184 203351146 /nfs/dbraw/zinc/35/11/46/203351146.db2.gz WVHMTFQKEKUHCJ-UHFFFAOYSA-N 0 3 249.402 3.259 20 0 BGADHN C[C@@H](NCC1CCCCCC1)c1ccn(C)n1 ZINC000459743678 203351248 /nfs/dbraw/zinc/35/12/48/203351248.db2.gz HHVFLOFYZBZINY-GFCCVEGCSA-N 0 3 235.375 3.041 20 0 BGADHN C[C@H](NCC1CCCCCC1)c1ccn(C)n1 ZINC000459743681 203351945 /nfs/dbraw/zinc/35/19/45/203351945.db2.gz HHVFLOFYZBZINY-LBPRGKRZSA-N 0 3 235.375 3.041 20 0 BGADHN CC[C@@H]1OCC[C@H]1NCc1cc2ccccc2o1 ZINC000459743776 203352582 /nfs/dbraw/zinc/35/25/82/203352582.db2.gz QBYQPQMLSFQZLW-KGLIPLIRSA-N 0 3 245.322 3.090 20 0 BGADHN CN(Cc1nc2ccccc2o1)C1CC(C)(C)C1 ZINC000459743809 203351119 /nfs/dbraw/zinc/35/11/19/203351119.db2.gz QEKIJLJJJAFYHG-UHFFFAOYSA-N 0 3 244.338 3.448 20 0 BGADHN COc1ccc(CN(C)C2CC(C)(C)C2)cc1O ZINC000459743875 387277471 /nfs/dbraw/zinc/27/74/71/387277471.db2.gz XDEUQLGSTLRANT-UHFFFAOYSA-N 0 3 249.354 3.021 20 0 BGADHN CC[C@@H]1OCC[C@H]1NCc1sccc1Cl ZINC000459744406 203351922 /nfs/dbraw/zinc/35/19/22/203351922.db2.gz QZGGBUBHBLEKLQ-ZJUUUORDSA-N 0 3 245.775 3.059 20 0 BGADHN CN(Cc1ccsc1)C1CC(C)(C)C1 ZINC000459744906 203350853 /nfs/dbraw/zinc/35/08/53/203350853.db2.gz YGLIGOYDPOQPSW-UHFFFAOYSA-N 0 3 209.358 3.369 20 0 BGADHN Cc1ccoc1CN(C)C1CC(C)(C)C1 ZINC000459745109 203350948 /nfs/dbraw/zinc/35/09/48/203350948.db2.gz YLBGXYLPKKIVMX-UHFFFAOYSA-N 0 3 207.317 3.208 20 0 BGADHN C[C@@H](NC1CCC(C)(C)CC1)c1ccn(C)n1 ZINC000459745166 203351879 /nfs/dbraw/zinc/35/18/79/203351879.db2.gz IGNMKFUXFLXNOA-LLVKDONJSA-N 0 3 235.375 3.040 20 0 BGADHN C[C@H](NC1CCC(C)(C)CC1)c1ccn(C)n1 ZINC000459745172 203352303 /nfs/dbraw/zinc/35/23/03/203352303.db2.gz IGNMKFUXFLXNOA-NSHDSACASA-N 0 3 235.375 3.040 20 0 BGADHN C[C@@H](N[C@H]1CCCC(C)(C)C1)c1ccn(C)n1 ZINC000459745319 387280322 /nfs/dbraw/zinc/28/03/22/387280322.db2.gz IKRZYCYKNKLISC-NEPJUHHUSA-N 0 3 235.375 3.040 20 0 BGADHN C[C@H](N[C@@H]1CCCC(C)(C)C1)c1ccn(C)n1 ZINC000459745321 387281084 /nfs/dbraw/zinc/28/10/84/387281084.db2.gz IKRZYCYKNKLISC-NWDGAFQWSA-N 0 3 235.375 3.040 20 0 BGADHN C[C@H](N[C@H]1CCCC(C)(C)C1)c1ccn(C)n1 ZINC000459745324 387280167 /nfs/dbraw/zinc/28/01/67/387280167.db2.gz IKRZYCYKNKLISC-RYUDHWBXSA-N 0 3 235.375 3.040 20 0 BGADHN C[C@@H](N[C@@H]1CCCC(C)(C)C1)c1ccn(C)n1 ZINC000459745332 387280370 /nfs/dbraw/zinc/28/03/70/387280370.db2.gz IKRZYCYKNKLISC-VXGBXAGGSA-N 0 3 235.375 3.040 20 0 BGADHN CCc1ccc(CN(C)C2CC(C)(C)C2)nc1 ZINC000459745390 203351196 /nfs/dbraw/zinc/35/11/96/203351196.db2.gz FHOPZWJWQMPHEF-UHFFFAOYSA-N 0 3 232.371 3.264 20 0 BGADHN Fc1cnccc1CNC1(C2CCC2)CCC1 ZINC000459745620 203350669 /nfs/dbraw/zinc/35/06/69/203350669.db2.gz MXORPWQHGBISOV-UHFFFAOYSA-N 0 3 234.318 3.033 20 0 BGADHN Fc1ccc(CNC2(C3CCC3)CCC2)nc1 ZINC000459745985 203352609 /nfs/dbraw/zinc/35/26/09/203352609.db2.gz AYWBZBBSJXHCOO-UHFFFAOYSA-N 0 3 234.318 3.033 20 0 BGADHN CC[C@@H]1OCC[C@H]1NCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000459746054 203350726 /nfs/dbraw/zinc/35/07/26/203350726.db2.gz UHYSQBIHOOCGAM-ASEORRQLSA-N 0 3 249.354 3.060 20 0 BGADHN CC[C@@H]1OCC[C@H]1NCc1ccc([C@H]2C[C@H]2C)o1 ZINC000459746055 387283502 /nfs/dbraw/zinc/28/35/02/387283502.db2.gz UHYSQBIHOOCGAM-CABNGKKXSA-N 0 3 249.354 3.060 20 0 BGADHN CC[C@@H]1OCC[C@H]1NCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000459746075 387282966 /nfs/dbraw/zinc/28/29/66/387282966.db2.gz UHYSQBIHOOCGAM-DEQVHRJGSA-N 0 3 249.354 3.060 20 0 BGADHN CC[C@@H]1OCC[C@H]1NCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000459746081 387282530 /nfs/dbraw/zinc/28/25/30/387282530.db2.gz UHYSQBIHOOCGAM-ZRJCITRHSA-N 0 3 249.354 3.060 20 0 BGADHN C[C@H](CCC1CCCC1)N[C@H](C)c1ccn(C)n1 ZINC000459746281 387282992 /nfs/dbraw/zinc/28/29/92/387282992.db2.gz ITSDBADKRSYIAL-CHWSQXEVSA-N 0 3 249.402 3.430 20 0 BGADHN C[C@H](CCC1CCCC1)N[C@@H](C)c1ccn(C)n1 ZINC000459746293 387284337 /nfs/dbraw/zinc/28/43/37/387284337.db2.gz ITSDBADKRSYIAL-OLZOCXBDSA-N 0 3 249.402 3.430 20 0 BGADHN C[C@@H](N[C@@H](C)CCC1CCCC1)c1ccn(C)n1 ZINC000459746296 387284382 /nfs/dbraw/zinc/28/43/82/387284382.db2.gz ITSDBADKRSYIAL-QWHCGFSZSA-N 0 3 249.402 3.430 20 0 BGADHN C[C@@H](CCC1CCCC1)N[C@@H](C)c1ccn(C)n1 ZINC000459746298 200840215 /nfs/dbraw/zinc/84/02/15/200840215.db2.gz ITSDBADKRSYIAL-STQMWFEESA-N 0 3 249.402 3.430 20 0 BGADHN CCC[C@H](NCc1ccncc1F)C1CCC1 ZINC000459746322 203351031 /nfs/dbraw/zinc/35/10/31/203351031.db2.gz GDOMKNBORYJXPA-AWEZNQCLSA-N 0 3 236.334 3.279 20 0 BGADHN CCC[C@@H](NCc1ccncc1F)C1CCC1 ZINC000459746324 203350836 /nfs/dbraw/zinc/35/08/36/203350836.db2.gz GDOMKNBORYJXPA-CQSZACIVSA-N 0 3 236.334 3.279 20 0 BGADHN c1oc2ccccc2c1CN1C[C@@H]2C[C@H]1CS2 ZINC000459747082 203354148 /nfs/dbraw/zinc/35/41/48/203354148.db2.gz GUGUGYLGZZTUJT-RYUDHWBXSA-N 0 3 245.347 3.123 20 0 BGADHN COc1cc(C)nc(CN(C)C2CC(C)(C)C2)c1 ZINC000459747091 203353649 /nfs/dbraw/zinc/35/36/49/203353649.db2.gz ZTKHMQYGZKSEQX-UHFFFAOYSA-N 0 3 248.370 3.019 20 0 BGADHN Cc1nn(C(C)C)cc1CN(C)C1CC(C)(C)C1 ZINC000459747157 203354328 /nfs/dbraw/zinc/35/43/28/203354328.db2.gz ZXLIBUAGGCRUTE-UHFFFAOYSA-N 0 3 249.402 3.393 20 0 BGADHN CC[C@@H]1OCC[C@H]1NCc1cc(Cl)cs1 ZINC000459747654 203353746 /nfs/dbraw/zinc/35/37/46/203353746.db2.gz WJUOLBBAFKYJAP-MNOVXSKESA-N 0 3 245.775 3.059 20 0 BGADHN CCCC[C@@H](CCC)N[C@H](C)c1ccn(C)n1 ZINC000459748121 203354878 /nfs/dbraw/zinc/35/48/78/203354878.db2.gz JSJMXHBGLMOHOO-CHWSQXEVSA-N 0 3 237.391 3.430 20 0 BGADHN CCCC[C@H](CCC)N[C@H](C)c1ccn(C)n1 ZINC000459748124 203353518 /nfs/dbraw/zinc/35/35/18/203353518.db2.gz JSJMXHBGLMOHOO-OLZOCXBDSA-N 0 3 237.391 3.430 20 0 BGADHN CCCC[C@@H](CCC)N[C@@H](C)c1ccn(C)n1 ZINC000459748126 203353779 /nfs/dbraw/zinc/35/37/79/203353779.db2.gz JSJMXHBGLMOHOO-QWHCGFSZSA-N 0 3 237.391 3.430 20 0 BGADHN CCCC[C@H](CCC)N[C@@H](C)c1ccn(C)n1 ZINC000459748129 203352015 /nfs/dbraw/zinc/35/20/15/203352015.db2.gz JSJMXHBGLMOHOO-STQMWFEESA-N 0 3 237.391 3.430 20 0 BGADHN CCCC[C@H](CC)N[C@H](C)c1ccn(C)n1 ZINC000459750134 203354710 /nfs/dbraw/zinc/35/47/10/203354710.db2.gz KXBHFRKBAMURGN-NEPJUHHUSA-N 0 3 223.364 3.040 20 0 BGADHN CCCC[C@@H](CC)N[C@@H](C)c1ccn(C)n1 ZINC000459750136 203353546 /nfs/dbraw/zinc/35/35/46/203353546.db2.gz KXBHFRKBAMURGN-NWDGAFQWSA-N 0 3 223.364 3.040 20 0 BGADHN CCCC[C@H](CC)N[C@@H](C)c1ccn(C)n1 ZINC000459750138 203353339 /nfs/dbraw/zinc/35/33/39/203353339.db2.gz KXBHFRKBAMURGN-RYUDHWBXSA-N 0 3 223.364 3.040 20 0 BGADHN CCCC[C@@H](CC)N[C@H](C)c1ccn(C)n1 ZINC000459750139 203354104 /nfs/dbraw/zinc/35/41/04/203354104.db2.gz KXBHFRKBAMURGN-VXGBXAGGSA-N 0 3 223.364 3.040 20 0 BGADHN C[C@@H](NCCC1CCCCCC1)c1ccn(C)n1 ZINC000459750175 203354359 /nfs/dbraw/zinc/35/43/59/203354359.db2.gz KYLKFDDNEFJNQF-CYBMUJFWSA-N 0 3 249.402 3.431 20 0 BGADHN C[C@H](NCCC1CCCCCC1)c1ccn(C)n1 ZINC000459750178 203354675 /nfs/dbraw/zinc/35/46/75/203354675.db2.gz KYLKFDDNEFJNQF-ZDUSSCGKSA-N 0 3 249.402 3.431 20 0 BGADHN [O-]c1cc(F)cc(C[NH2+]C2(C3CCC3)CCC2)c1 ZINC000459750517 203354661 /nfs/dbraw/zinc/35/46/61/203354661.db2.gz PWCQDOBNLDMCAT-UHFFFAOYSA-N 0 3 249.329 3.344 20 0 BGADHN CC1=C[C@H](C)C[C@@H](CN[C@@H](C)c2ccn(C)n2)C1 ZINC000459750954 203356528 /nfs/dbraw/zinc/35/65/28/203356528.db2.gz LLURMPCZHXASRQ-FPMFFAJLSA-N 0 3 247.386 3.063 20 0 BGADHN CC1=C[C@H](C)C[C@@H](CN[C@H](C)c2ccn(C)n2)C1 ZINC000459750955 203355993 /nfs/dbraw/zinc/35/59/93/203355993.db2.gz LLURMPCZHXASRQ-IACUBPJLSA-N 0 3 247.386 3.063 20 0 BGADHN CC1=C[C@H](C)C[C@H](CN[C@@H](C)c2ccn(C)n2)C1 ZINC000459750956 206015021 /nfs/dbraw/zinc/01/50/21/206015021.db2.gz LLURMPCZHXASRQ-UBHSHLNASA-N 0 3 247.386 3.063 20 0 BGADHN CC1=C[C@H](C)C[C@H](CN[C@H](C)c2ccn(C)n2)C1 ZINC000459750957 206014935 /nfs/dbraw/zinc/01/49/35/206014935.db2.gz LLURMPCZHXASRQ-YUTCNCBUSA-N 0 3 247.386 3.063 20 0 BGADHN CCCC(CCC)N[C@H](C)c1ccn(C)n1 ZINC000459751049 203355418 /nfs/dbraw/zinc/35/54/18/203355418.db2.gz LSFRKGGZEWIFKH-LLVKDONJSA-N 0 3 223.364 3.040 20 0 BGADHN CCCC(CCC)N[C@@H](C)c1ccn(C)n1 ZINC000459751051 203352073 /nfs/dbraw/zinc/35/20/73/203352073.db2.gz LSFRKGGZEWIFKH-NSHDSACASA-N 0 3 223.364 3.040 20 0 BGADHN Cc1ccoc1CNC1(C2CCC2)CCC1 ZINC000459751897 203356992 /nfs/dbraw/zinc/35/69/92/203356992.db2.gz QQOPPOVEQCQLGJ-UHFFFAOYSA-N 0 3 219.328 3.400 20 0 BGADHN C[C@H](CC1CCCC1)N[C@@H](C)c1ccn(C)n1 ZINC000459752004 203356696 /nfs/dbraw/zinc/35/66/96/203356696.db2.gz MMBXENBHJYILIG-NEPJUHHUSA-N 0 3 235.375 3.040 20 0 BGADHN C[C@@H](N[C@@H](C)CC1CCCC1)c1ccn(C)n1 ZINC000459752005 203355243 /nfs/dbraw/zinc/35/52/43/203355243.db2.gz MMBXENBHJYILIG-NWDGAFQWSA-N 0 3 235.375 3.040 20 0 BGADHN C[C@@H](CC1CCCC1)N[C@@H](C)c1ccn(C)n1 ZINC000459752006 203357194 /nfs/dbraw/zinc/35/71/94/203357194.db2.gz MMBXENBHJYILIG-RYUDHWBXSA-N 0 3 235.375 3.040 20 0 BGADHN C[C@H](CC1CCCC1)N[C@H](C)c1ccn(C)n1 ZINC000459752007 203356337 /nfs/dbraw/zinc/35/63/37/203356337.db2.gz MMBXENBHJYILIG-VXGBXAGGSA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@@H]1CCC[C@@H](N[C@H](C)c2ccn(C)n2)C1 ZINC000459752015 203357391 /nfs/dbraw/zinc/35/73/91/203357391.db2.gz MOXATPTYIQOYRF-JHJVBQTASA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@@H]1CCC[C@H](N[C@H](C)c2ccn(C)n2)C1 ZINC000459752016 203355590 /nfs/dbraw/zinc/35/55/90/203355590.db2.gz MOXATPTYIQOYRF-UPJWGTAASA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@@H]1CCC[C@H](N[C@@H](C)c2ccn(C)n2)C1 ZINC000459752017 203356375 /nfs/dbraw/zinc/35/63/75/203356375.db2.gz MOXATPTYIQOYRF-XQQFMLRXSA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@@H]1CCC[C@@H](N[C@@H](C)c2ccn(C)n2)C1 ZINC000459752018 203355532 /nfs/dbraw/zinc/35/55/32/203355532.db2.gz MOXATPTYIQOYRF-YNEHKIRRSA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@H](C)C[C@H](CC)N[C@@H](C)c1ccn(C)n1 ZINC000459752930 203355173 /nfs/dbraw/zinc/35/51/73/203355173.db2.gz MYVMEIVQRPGBCO-AVGNSLFASA-N 0 3 237.391 3.286 20 0 BGADHN CC[C@H](C[C@@H](C)CC)N[C@@H](C)c1ccn(C)n1 ZINC000459752932 203356601 /nfs/dbraw/zinc/35/66/01/203356601.db2.gz MYVMEIVQRPGBCO-RWMBFGLXSA-N 0 3 237.391 3.286 20 0 BGADHN CC[C@H](C)C[C@H](CC)N[C@H](C)c1ccn(C)n1 ZINC000459752935 387282660 /nfs/dbraw/zinc/28/26/60/387282660.db2.gz MYVMEIVQRPGBCO-XQQFMLRXSA-N 0 3 237.391 3.286 20 0 BGADHN CC[C@H](C[C@@H](C)CC)N[C@H](C)c1ccn(C)n1 ZINC000459752943 387283627 /nfs/dbraw/zinc/28/36/27/387283627.db2.gz MYVMEIVQRPGBCO-YNEHKIRRSA-N 0 3 237.391 3.286 20 0 BGADHN CC(C)n1ccnc1CNC1(C2CCC2)CCC1 ZINC000459753225 203355977 /nfs/dbraw/zinc/35/59/77/203355977.db2.gz BZJPRKBECTUQAP-UHFFFAOYSA-N 0 3 247.386 3.276 20 0 BGADHN CC[C@@H]1CCC[C@@H](CN[C@@H](C)c2ccn(C)n2)C1 ZINC000459753420 203355224 /nfs/dbraw/zinc/35/52/24/203355224.db2.gz NJCFQNSSJQMNKI-BFHYXJOUSA-N 0 3 249.402 3.287 20 0 BGADHN CC[C@@H]1CCC[C@H](CN[C@H](C)c2ccn(C)n2)C1 ZINC000459753424 203355145 /nfs/dbraw/zinc/35/51/45/203355145.db2.gz NJCFQNSSJQMNKI-MCIONIFRSA-N 0 3 249.402 3.287 20 0 BGADHN CC[C@@H]1CCC[C@@H](CN[C@H](C)c2ccn(C)n2)C1 ZINC000459753427 387283888 /nfs/dbraw/zinc/28/38/88/387283888.db2.gz NJCFQNSSJQMNKI-MGPQQGTHSA-N 0 3 249.402 3.287 20 0 BGADHN CC[C@@H]1CCC[C@H](CN[C@@H](C)c2ccn(C)n2)C1 ZINC000459753433 387283264 /nfs/dbraw/zinc/28/32/64/387283264.db2.gz NJCFQNSSJQMNKI-MJBXVCDLSA-N 0 3 249.402 3.287 20 0 BGADHN CCOc1cccc(CN[C@@]2(C)CC=CCC2)n1 ZINC000459753526 203357101 /nfs/dbraw/zinc/35/71/01/203357101.db2.gz MDELECNGUMDLID-HNNXBMFYSA-N 0 3 246.354 3.069 20 0 BGADHN CCOc1cccc(CN[C@]2(C)CC=CCC2)n1 ZINC000459753530 203355756 /nfs/dbraw/zinc/35/57/56/203355756.db2.gz MDELECNGUMDLID-OAHLLOKOSA-N 0 3 246.354 3.069 20 0 BGADHN Cc1cnc([C@@H](C)NC2(C3CCC3)CCC2)cn1 ZINC000459753655 387283474 /nfs/dbraw/zinc/28/34/74/387283474.db2.gz KLYCKTKVNYBGAL-GFCCVEGCSA-N 0 3 245.370 3.158 20 0 BGADHN Cc1cnc([C@H](C)NC2(C3CCC3)CCC2)cn1 ZINC000459753660 387283668 /nfs/dbraw/zinc/28/36/68/387283668.db2.gz KLYCKTKVNYBGAL-LBPRGKRZSA-N 0 3 245.370 3.158 20 0 BGADHN CCC[C@H](NCc1ncc(C)n1C)C1CCCC1 ZINC000459754336 203355752 /nfs/dbraw/zinc/35/57/52/203355752.db2.gz DAYFQSKYTSBQSO-AWEZNQCLSA-N 0 3 249.402 3.177 20 0 BGADHN CCC[C@@H](NCc1ncc(C)n1C)C1CCCC1 ZINC000459754339 203356210 /nfs/dbraw/zinc/35/62/10/203356210.db2.gz DAYFQSKYTSBQSO-CQSZACIVSA-N 0 3 249.402 3.177 20 0 BGADHN C[C@H](CCC(C)(C)C)N[C@@H](C)c1ccn(C)n1 ZINC000459754495 203356037 /nfs/dbraw/zinc/35/60/37/203356037.db2.gz ODHMKOZGGOSMEP-NEPJUHHUSA-N 0 3 237.391 3.286 20 0 BGADHN C[C@@H](N[C@@H](C)CCC(C)(C)C)c1ccn(C)n1 ZINC000459754496 203356513 /nfs/dbraw/zinc/35/65/13/203356513.db2.gz ODHMKOZGGOSMEP-NWDGAFQWSA-N 0 3 237.391 3.286 20 0 BGADHN C[C@@H](CCC(C)(C)C)N[C@@H](C)c1ccn(C)n1 ZINC000459754497 203355793 /nfs/dbraw/zinc/35/57/93/203355793.db2.gz ODHMKOZGGOSMEP-RYUDHWBXSA-N 0 3 237.391 3.286 20 0 BGADHN C[C@H](CCC(C)(C)C)N[C@H](C)c1ccn(C)n1 ZINC000459754498 203355670 /nfs/dbraw/zinc/35/56/70/203355670.db2.gz ODHMKOZGGOSMEP-VXGBXAGGSA-N 0 3 237.391 3.286 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@@H](C2CC2)C1)c1ccn(C)n1 ZINC000459754558 203357310 /nfs/dbraw/zinc/35/73/10/203357310.db2.gz OLQISFQJQOCWJY-IACUBPJLSA-N 0 3 247.386 3.040 20 0 BGADHN C[C@H](N[C@H]1CCC[C@H](C2CC2)C1)c1ccn(C)n1 ZINC000459754559 203357216 /nfs/dbraw/zinc/35/72/16/203357216.db2.gz OLQISFQJQOCWJY-UBHSHLNASA-N 0 3 247.386 3.040 20 0 BGADHN C[C@H](N[C@H]1CCC[C@@H](C2CC2)C1)c1ccn(C)n1 ZINC000459754560 203355968 /nfs/dbraw/zinc/35/59/68/203355968.db2.gz OLQISFQJQOCWJY-YUTCNCBUSA-N 0 3 247.386 3.040 20 0 BGADHN COc1ccc(F)c(CN[C@@]2(C)CC=CCC2)c1 ZINC000459754930 203356031 /nfs/dbraw/zinc/35/60/31/203356031.db2.gz MYLKEZAIRYOETP-HNNXBMFYSA-N 0 3 249.329 3.423 20 0 BGADHN COc1ccc(F)c(CN[C@]2(C)CC=CCC2)c1 ZINC000459754932 203356218 /nfs/dbraw/zinc/35/62/18/203356218.db2.gz MYLKEZAIRYOETP-OAHLLOKOSA-N 0 3 249.329 3.423 20 0 BGADHN Clc1cnc(CN[C@@H]2CCC[C@@H]3C[C@@H]32)s1 ZINC000459755206 203355825 /nfs/dbraw/zinc/35/58/25/203355825.db2.gz JTGYHJJYGPJDHU-HRDYMLBCSA-N 0 3 242.775 3.075 20 0 BGADHN Clc1cnc(CN[C@H]2CCC[C@@H]3C[C@@H]32)s1 ZINC000459755210 203355153 /nfs/dbraw/zinc/35/51/53/203355153.db2.gz JTGYHJJYGPJDHU-VGMNWLOBSA-N 0 3 242.775 3.075 20 0 BGADHN Cc1noc(C)c1CNC1(C2CCC2)CCC1 ZINC000459755405 203355702 /nfs/dbraw/zinc/35/57/02/203355702.db2.gz FKNDHCDQANFSIS-UHFFFAOYSA-N 0 3 234.343 3.104 20 0 BGADHN C[C@H](N[C@H]1C[C@@H](C)CC(C)(C)C1)c1ccn(C)n1 ZINC000459756431 203358247 /nfs/dbraw/zinc/35/82/47/203358247.db2.gz PFZNSIFRRGGTFI-AGIUHOORSA-N 0 3 249.402 3.286 20 0 BGADHN C[C@H](N[C@@H]1C[C@@H](C)CC(C)(C)C1)c1ccn(C)n1 ZINC000459756433 203359575 /nfs/dbraw/zinc/35/95/75/203359575.db2.gz PFZNSIFRRGGTFI-FRRDWIJNSA-N 0 3 249.402 3.286 20 0 BGADHN C[C@@H](N[C@@H]1C[C@@H](C)CC(C)(C)C1)c1ccn(C)n1 ZINC000459756435 203358594 /nfs/dbraw/zinc/35/85/94/203358594.db2.gz PFZNSIFRRGGTFI-JHJVBQTASA-N 0 3 249.402 3.286 20 0 BGADHN C[C@@H](N[C@H]1C[C@@H](C)CC(C)(C)C1)c1ccn(C)n1 ZINC000459756437 203359043 /nfs/dbraw/zinc/35/90/43/203359043.db2.gz PFZNSIFRRGGTFI-UPJWGTAASA-N 0 3 249.402 3.286 20 0 BGADHN CCc1nc(C)c(CNC2(C3CCC3)CCC2)o1 ZINC000459756953 203357845 /nfs/dbraw/zinc/35/78/45/203357845.db2.gz OHZJDMMZBSPRGB-UHFFFAOYSA-N 0 3 248.370 3.358 20 0 BGADHN CC1=CCC[C@H](C)[C@@H]1CN[C@H](C)c1ccn(C)n1 ZINC000459760583 203358515 /nfs/dbraw/zinc/35/85/15/203358515.db2.gz RTRCGNAYMMMKFK-BFHYXJOUSA-N 0 3 247.386 3.063 20 0 BGADHN CC1=CCC[C@H](C)[C@H]1CN[C@@H](C)c1ccn(C)n1 ZINC000459760584 203358912 /nfs/dbraw/zinc/35/89/12/203358912.db2.gz RTRCGNAYMMMKFK-IHRRRGAJSA-N 0 3 247.386 3.063 20 0 BGADHN CC1=CCC[C@H](C)[C@@H]1CN[C@@H](C)c1ccn(C)n1 ZINC000459760585 203358237 /nfs/dbraw/zinc/35/82/37/203358237.db2.gz RTRCGNAYMMMKFK-MELADBBJSA-N 0 3 247.386 3.063 20 0 BGADHN CC1=CCC[C@H](C)[C@H]1CN[C@H](C)c1ccn(C)n1 ZINC000459760587 203358868 /nfs/dbraw/zinc/35/88/68/203358868.db2.gz RTRCGNAYMMMKFK-MJBXVCDLSA-N 0 3 247.386 3.063 20 0 BGADHN CC(C)[C@@H]1CCC[C@@H](N[C@@H](C)c2ccn(C)n2)C1 ZINC000459760767 203358128 /nfs/dbraw/zinc/35/81/28/203358128.db2.gz SHJACJMOIIPRGJ-BFHYXJOUSA-N 0 3 249.402 3.286 20 0 BGADHN CC(C)[C@H]1CCC[C@H](N[C@@H](C)c2ccn(C)n2)C1 ZINC000459760770 203358565 /nfs/dbraw/zinc/35/85/65/203358565.db2.gz SHJACJMOIIPRGJ-IHRRRGAJSA-N 0 3 249.402 3.286 20 0 BGADHN CC(C)[C@H]1CCC[C@@H](N[C@@H](C)c2ccn(C)n2)C1 ZINC000459760771 203359496 /nfs/dbraw/zinc/35/94/96/203359496.db2.gz SHJACJMOIIPRGJ-MELADBBJSA-N 0 3 249.402 3.286 20 0 BGADHN CC(C)[C@@H]1CCC[C@H](N[C@@H](C)c2ccn(C)n2)C1 ZINC000459760773 203359618 /nfs/dbraw/zinc/35/96/18/203359618.db2.gz SHJACJMOIIPRGJ-MJBXVCDLSA-N 0 3 249.402 3.286 20 0 BGADHN c1sc(C2CC2)nc1CN[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459763417 203360341 /nfs/dbraw/zinc/36/03/41/203360341.db2.gz OBDOYNCEJCNOOW-KGYLQXTDSA-N 0 3 248.395 3.299 20 0 BGADHN c1sc(C2CC2)nc1CN[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459763419 203360356 /nfs/dbraw/zinc/36/03/56/203360356.db2.gz OBDOYNCEJCNOOW-WXHSDQCUSA-N 0 3 248.395 3.299 20 0 BGADHN C[C@@H](NCC1CCC(C)(C)CC1)c1ccn(C)n1 ZINC000459764657 203360614 /nfs/dbraw/zinc/36/06/14/203360614.db2.gz VCNCXCXONRRBCA-GFCCVEGCSA-N 0 3 249.402 3.287 20 0 BGADHN C[C@H](NCC1CCC(C)(C)CC1)c1ccn(C)n1 ZINC000459764660 203360760 /nfs/dbraw/zinc/36/07/60/203360760.db2.gz VCNCXCXONRRBCA-LBPRGKRZSA-N 0 3 249.402 3.287 20 0 BGADHN CC[C@H](F)CN(C)[C@@H](C)Cc1cccc(F)c1 ZINC000459766195 203361550 /nfs/dbraw/zinc/36/15/50/203361550.db2.gz PELFIRUBDLEKCL-AAEUAGOBSA-N 0 3 241.325 3.437 20 0 BGADHN CC[C@@H](F)CN(C)[C@H](C)Cc1cccc(F)c1 ZINC000459766196 203360846 /nfs/dbraw/zinc/36/08/46/203360846.db2.gz PELFIRUBDLEKCL-DGCLKSJQSA-N 0 3 241.325 3.437 20 0 BGADHN CC[C@@H](F)CN(C)[C@@H](C)Cc1cccc(F)c1 ZINC000459766197 203360580 /nfs/dbraw/zinc/36/05/80/203360580.db2.gz PELFIRUBDLEKCL-WCQYABFASA-N 0 3 241.325 3.437 20 0 BGADHN CC[C@H](F)CN(C)[C@H](C)Cc1cccc(F)c1 ZINC000459766199 203360403 /nfs/dbraw/zinc/36/04/03/203360403.db2.gz PELFIRUBDLEKCL-YPMHNXCESA-N 0 3 241.325 3.437 20 0 BGADHN C/C(=C/c1ccccc1)CN1C[C@@H]2C[C@H]1CS2 ZINC000459766468 203361178 /nfs/dbraw/zinc/36/11/78/203361178.db2.gz OSJFPHPNUKQZOG-CTIWVZMKSA-N 0 3 245.391 3.280 20 0 BGADHN C/C(=C\c1ccccc1)CN1C[C@@H]2C[C@H]1CS2 ZINC000459766471 203360899 /nfs/dbraw/zinc/36/08/99/203360899.db2.gz OSJFPHPNUKQZOG-FVLQDRJJSA-N 0 3 245.391 3.280 20 0 BGADHN CCc1nc(C)c(CN(C)C2CC(C)(C)C2)o1 ZINC000459766603 203359811 /nfs/dbraw/zinc/35/98/11/203359811.db2.gz PAEQZRAKPRREMK-UHFFFAOYSA-N 0 3 236.359 3.166 20 0 BGADHN c1cc2cc(CN3C[C@@H]4C[C@H]3CS4)ccc2o1 ZINC000459767047 203360032 /nfs/dbraw/zinc/36/00/32/203360032.db2.gz KPUKSZCVXZOZMG-STQMWFEESA-N 0 3 245.347 3.123 20 0 BGADHN CCC1(C)CCC(N[C@H](C)c2ccn(C)n2)CC1 ZINC000459767510 203361748 /nfs/dbraw/zinc/36/17/48/203361748.db2.gz XAMDNEOADFDMOA-DNOWBOINSA-N 0 3 249.402 3.430 20 0 BGADHN CCC1(C)CCC(N[C@@H](C)c2ccn(C)n2)CC1 ZINC000459767512 203361273 /nfs/dbraw/zinc/36/12/73/203361273.db2.gz XAMDNEOADFDMOA-OPFPJEHXSA-N 0 3 249.402 3.430 20 0 BGADHN c1ccc2oc(CN[C@@H]3CCC[C@@H]4C[C@@H]43)nc2c1 ZINC000459768027 203361448 /nfs/dbraw/zinc/36/14/48/203361448.db2.gz FUMAAVDHJVMSNL-GRYCIOLGSA-N 0 3 242.322 3.106 20 0 BGADHN c1ccc2oc(CN[C@H]3CCC[C@@H]4C[C@@H]43)nc2c1 ZINC000459768030 203360587 /nfs/dbraw/zinc/36/05/87/203360587.db2.gz FUMAAVDHJVMSNL-WOPDTQHZSA-N 0 3 242.322 3.106 20 0 BGADHN CC(C)=CCC[C@@H](C)N[C@H](C)c1ccn(C)n1 ZINC000459772355 206015222 /nfs/dbraw/zinc/01/52/22/206015222.db2.gz ZSJKCLKGSJGDMX-CHWSQXEVSA-N 0 3 235.375 3.206 20 0 BGADHN CC(C)=CCC[C@@H](C)N[C@@H](C)c1ccn(C)n1 ZINC000459772358 206016377 /nfs/dbraw/zinc/01/63/77/206016377.db2.gz ZSJKCLKGSJGDMX-OLZOCXBDSA-N 0 3 235.375 3.206 20 0 BGADHN CC(C)=CCC[C@H](C)N[C@H](C)c1ccn(C)n1 ZINC000459772362 206015833 /nfs/dbraw/zinc/01/58/33/206015833.db2.gz ZSJKCLKGSJGDMX-QWHCGFSZSA-N 0 3 235.375 3.206 20 0 BGADHN CC(C)=CCC[C@H](C)N[C@@H](C)c1ccn(C)n1 ZINC000459772369 527426062 /nfs/dbraw/zinc/42/60/62/527426062.db2.gz ZSJKCLKGSJGDMX-STQMWFEESA-N 0 3 235.375 3.206 20 0 BGADHN Cc1nc(CN[C@@H]2CCC[C@@H]3C[C@@H]32)sc1C ZINC000459772472 203362769 /nfs/dbraw/zinc/36/27/69/203362769.db2.gz IBSXTFZUNOTPLO-GRYCIOLGSA-N 0 3 236.384 3.038 20 0 BGADHN Cc1nc(CN[C@H]2CCC[C@@H]3C[C@@H]32)sc1C ZINC000459772480 203363250 /nfs/dbraw/zinc/36/32/50/203363250.db2.gz IBSXTFZUNOTPLO-WOPDTQHZSA-N 0 3 236.384 3.038 20 0 BGADHN CC(C)n1ccc(CNC2(C3CCC3)CCC2)n1 ZINC000459772539 528597310 /nfs/dbraw/zinc/59/73/10/528597310.db2.gz OJLGGSRNJWUECH-UHFFFAOYSA-N 0 3 247.386 3.276 20 0 BGADHN Cc1cc(CN2C[C@@H]3C[C@H]2CS3)c(C)s1 ZINC000459774078 203362655 /nfs/dbraw/zinc/36/26/55/203362655.db2.gz VLSNYNSTOQZCDG-RYUDHWBXSA-N 0 3 239.409 3.055 20 0 BGADHN CC[C@@H]1OCC[C@H]1N[C@@H](C)c1cccc(F)c1 ZINC000459774969 203365660 /nfs/dbraw/zinc/36/56/60/203365660.db2.gz LTJHFQHWUOFIDM-GDLCADMTSA-N 0 3 237.318 3.044 20 0 BGADHN CC[C@@H]1OCC[C@H]1N[C@H](C)c1cccc(F)c1 ZINC000459774970 203365903 /nfs/dbraw/zinc/36/59/03/203365903.db2.gz LTJHFQHWUOFIDM-HONMWMINSA-N 0 3 237.318 3.044 20 0 BGADHN c1c2ccccc2oc1CN1C[C@@H]2C[C@H]1CS2 ZINC000459775981 203364732 /nfs/dbraw/zinc/36/47/32/203364732.db2.gz WWOKGIFRGAXAOT-AAEUAGOBSA-N 0 3 245.347 3.123 20 0 BGADHN CCc1noc(C)c1CNC1(C2CCC2)CCC1 ZINC000459777200 203366446 /nfs/dbraw/zinc/36/64/46/203366446.db2.gz RXSWPWUEANOWHD-UHFFFAOYSA-N 0 3 248.370 3.358 20 0 BGADHN c1sc(CN[C@@H]2CCC[C@@H]3C[C@@H]32)nc1C1CC1 ZINC000459777662 203366409 /nfs/dbraw/zinc/36/64/09/203366409.db2.gz LIGYTXRRGNELPO-GRYCIOLGSA-N 0 3 248.395 3.299 20 0 BGADHN c1sc(CN[C@H]2CCC[C@@H]3C[C@@H]32)nc1C1CC1 ZINC000459777663 203364351 /nfs/dbraw/zinc/36/43/51/203364351.db2.gz LIGYTXRRGNELPO-WOPDTQHZSA-N 0 3 248.395 3.299 20 0 BGADHN c1cc2cccc(CN3C[C@@H]4C[C@H]3CS4)c2o1 ZINC000459777849 206015347 /nfs/dbraw/zinc/01/53/47/206015347.db2.gz SKQIMCWBFAUYKZ-STQMWFEESA-N 0 3 245.347 3.123 20 0 BGADHN Fc1cccc(CN[C@H]2CCC[C@@H]3C[C@@H]32)c1F ZINC000459779055 203366267 /nfs/dbraw/zinc/36/62/67/203366267.db2.gz WUILHZHLJITMJT-CDMKHQONSA-N 0 3 237.293 3.243 20 0 BGADHN Fc1cccc(CN[C@@H]2CCC[C@@H]3C[C@@H]32)c1F ZINC000459779056 203366288 /nfs/dbraw/zinc/36/62/88/203366288.db2.gz WUILHZHLJITMJT-SUZMYJTESA-N 0 3 237.293 3.243 20 0 BGADHN COc1ccc(F)c(CN[C@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000459780588 203364340 /nfs/dbraw/zinc/36/43/40/203364340.db2.gz YAJCAZSOKDDMFS-DGFSRKRXSA-N 0 3 249.329 3.113 20 0 BGADHN COc1ccc(F)c(CN[C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000459780589 203364513 /nfs/dbraw/zinc/36/45/13/203364513.db2.gz YAJCAZSOKDDMFS-RIEGTJTDSA-N 0 3 249.329 3.113 20 0 BGADHN CCC1(c2ccccc2)CN(CC2CC2)C1 ZINC000459780607 203365401 /nfs/dbraw/zinc/36/54/01/203365401.db2.gz YKINTRPHGIWZLS-UHFFFAOYSA-N 0 3 215.340 3.060 20 0 BGADHN CC[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(F)cc1 ZINC000459780821 203367445 /nfs/dbraw/zinc/36/74/45/203367445.db2.gz SBCCTOZOZGFGLX-GDLCADMTSA-N 0 3 237.318 3.044 20 0 BGADHN CC[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(F)cc1 ZINC000459780822 203367410 /nfs/dbraw/zinc/36/74/10/203367410.db2.gz SBCCTOZOZGFGLX-HONMWMINSA-N 0 3 237.318 3.044 20 0 BGADHN Cc1nc(C(C)C)oc1CN[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459782168 203368227 /nfs/dbraw/zinc/36/82/27/203368227.db2.gz OFIZXELIBJBSKB-AGIUHOORSA-N 0 3 248.370 3.385 20 0 BGADHN Cc1nc(C(C)C)oc1CN[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459782169 203368505 /nfs/dbraw/zinc/36/85/05/203368505.db2.gz OFIZXELIBJBSKB-FRRDWIJNSA-N 0 3 248.370 3.385 20 0 BGADHN c1cc(C2CC2)ccc1CN1C[C@@H]2C[C@H]1CS2 ZINC000459783273 203366902 /nfs/dbraw/zinc/36/69/02/203366902.db2.gz YXIABWMXZHKEND-GJZGRUSLSA-N 0 3 245.391 3.254 20 0 BGADHN FC1(F)CCCC[C@H]1CN1C[C@@H]2C[C@H]1CS2 ZINC000459784547 203368765 /nfs/dbraw/zinc/36/87/65/203368765.db2.gz AFPJGGSKTULDIZ-DCAQKATOSA-N 0 3 247.354 3.002 20 0 BGADHN FC1(F)CCCC[C@@H]1CN1C[C@@H]2C[C@H]1CS2 ZINC000459784548 203367017 /nfs/dbraw/zinc/36/70/17/203367017.db2.gz AFPJGGSKTULDIZ-VWYCJHECSA-N 0 3 247.354 3.002 20 0 BGADHN CCCC[C@@H](CC)CN[C@H](C)c1ccn(C)n1 ZINC000459785570 203367829 /nfs/dbraw/zinc/36/78/29/203367829.db2.gz JZRLCCQWSSIWOG-CHWSQXEVSA-N 0 3 237.391 3.287 20 0 BGADHN CCCC[C@H](CC)CN[C@H](C)c1ccn(C)n1 ZINC000459785572 203368823 /nfs/dbraw/zinc/36/88/23/203368823.db2.gz JZRLCCQWSSIWOG-OLZOCXBDSA-N 0 3 237.391 3.287 20 0 BGADHN CCCC[C@@H](CC)CN[C@@H](C)c1ccn(C)n1 ZINC000459785574 203367611 /nfs/dbraw/zinc/36/76/11/203367611.db2.gz JZRLCCQWSSIWOG-QWHCGFSZSA-N 0 3 237.391 3.287 20 0 BGADHN CCCC[C@H](CC)CN[C@@H](C)c1ccn(C)n1 ZINC000459785575 203368200 /nfs/dbraw/zinc/36/82/00/203368200.db2.gz JZRLCCQWSSIWOG-STQMWFEESA-N 0 3 237.391 3.287 20 0 BGADHN C[C@@H](NC[C@@H](C)C1CCCCC1)c1ccn(C)n1 ZINC000459785580 203366676 /nfs/dbraw/zinc/36/66/76/203366676.db2.gz KAJWCWGSLASYSF-CHWSQXEVSA-N 0 3 249.402 3.287 20 0 BGADHN C[C@H](CN[C@@H](C)c1ccn(C)n1)C1CCCCC1 ZINC000459785583 203367243 /nfs/dbraw/zinc/36/72/43/203367243.db2.gz KAJWCWGSLASYSF-OLZOCXBDSA-N 0 3 249.402 3.287 20 0 BGADHN C[C@@H](CN[C@H](C)c1ccn(C)n1)C1CCCCC1 ZINC000459785585 203367845 /nfs/dbraw/zinc/36/78/45/203367845.db2.gz KAJWCWGSLASYSF-QWHCGFSZSA-N 0 3 249.402 3.287 20 0 BGADHN C[C@@H](CN[C@@H](C)c1ccn(C)n1)C1CCCCC1 ZINC000459785588 203368433 /nfs/dbraw/zinc/36/84/33/203368433.db2.gz KAJWCWGSLASYSF-STQMWFEESA-N 0 3 249.402 3.287 20 0 BGADHN CC[C@@H]1OCC[C@H]1N[C@@H](C)c1ccccc1F ZINC000459785812 203366817 /nfs/dbraw/zinc/36/68/17/203366817.db2.gz ZNLCMXMEGYPWMV-GDLCADMTSA-N 0 3 237.318 3.044 20 0 BGADHN CC[C@@H]1OCC[C@H]1N[C@H](C)c1ccccc1F ZINC000459785815 203368031 /nfs/dbraw/zinc/36/80/31/203368031.db2.gz ZNLCMXMEGYPWMV-HONMWMINSA-N 0 3 237.318 3.044 20 0 BGADHN CCCc1nc(C)c(CN[C@H]2CCC[C@@H]3C[C@@H]32)o1 ZINC000459785922 203366734 /nfs/dbraw/zinc/36/67/34/203366734.db2.gz PGNHIKCSEIUZLP-AGIUHOORSA-N 0 3 248.370 3.214 20 0 BGADHN CCCc1nc(C)c(CN[C@@H]2CCC[C@@H]3C[C@@H]32)o1 ZINC000459785927 203366928 /nfs/dbraw/zinc/36/69/28/203366928.db2.gz PGNHIKCSEIUZLP-FRRDWIJNSA-N 0 3 248.370 3.214 20 0 BGADHN Fc1cccc(F)c1CN[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459786882 203370988 /nfs/dbraw/zinc/37/09/88/203370988.db2.gz PWMKWYVTWMBYNP-BFVZDQMLSA-N 0 3 237.293 3.243 20 0 BGADHN Fc1cccc(F)c1CN[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459786884 203369846 /nfs/dbraw/zinc/36/98/46/203369846.db2.gz PWMKWYVTWMBYNP-ISTVAULSSA-N 0 3 237.293 3.243 20 0 BGADHN Clc1cnccc1CN[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459786909 203370512 /nfs/dbraw/zinc/37/05/12/203370512.db2.gz QBOSINCGXDRBJI-CDMKHQONSA-N 0 3 236.746 3.013 20 0 BGADHN Clc1cnccc1CN[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459786910 203369286 /nfs/dbraw/zinc/36/92/86/203369286.db2.gz QBOSINCGXDRBJI-SUZMYJTESA-N 0 3 236.746 3.013 20 0 BGADHN Cc1nc(CN[C@@H]2CCC[C@@H]3C[C@@H]32)c(C)s1 ZINC000459795475 203372372 /nfs/dbraw/zinc/37/23/72/203372372.db2.gz XUCPUNAGWPQWCV-GRYCIOLGSA-N 0 3 236.384 3.038 20 0 BGADHN Cc1nc(CN[C@H]2CCC[C@@H]3C[C@@H]32)c(C)s1 ZINC000459795477 203372462 /nfs/dbraw/zinc/37/24/62/203372462.db2.gz XUCPUNAGWPQWCV-WOPDTQHZSA-N 0 3 236.384 3.038 20 0 BGADHN CC(C)(C)c1cc(CN[C@@H]2CCC[C@@H]3C[C@@H]32)no1 ZINC000459796452 203372528 /nfs/dbraw/zinc/37/25/28/203372528.db2.gz YXIKAUNVXDPZBS-KGYLQXTDSA-N 0 3 248.370 3.250 20 0 BGADHN CC(C)(C)c1cc(CN[C@H]2CCC[C@@H]3C[C@@H]32)no1 ZINC000459796453 203374206 /nfs/dbraw/zinc/37/42/06/203374206.db2.gz YXIKAUNVXDPZBS-WXHSDQCUSA-N 0 3 248.370 3.250 20 0 BGADHN C[C@@H](NCCCC1CCCC1)c1ccn(C)n1 ZINC000459799609 203374455 /nfs/dbraw/zinc/37/44/55/203374455.db2.gz VSTGVDGTZVOXCK-GFCCVEGCSA-N 0 3 235.375 3.041 20 0 BGADHN C[C@H](NCCCC1CCCC1)c1ccn(C)n1 ZINC000459799610 203373822 /nfs/dbraw/zinc/37/38/22/203373822.db2.gz VSTGVDGTZVOXCK-LBPRGKRZSA-N 0 3 235.375 3.041 20 0 BGADHN C[C@H](NCC[C@H]1CCC[C@@H](C)C1)c1ccn(C)n1 ZINC000459802140 203373795 /nfs/dbraw/zinc/37/37/95/203373795.db2.gz YKGZZMVOGBHHSN-HZSPNIEDSA-N 0 3 249.402 3.287 20 0 BGADHN C[C@@H](NCC[C@@H]1CCC[C@@H](C)C1)c1ccn(C)n1 ZINC000459802143 203374651 /nfs/dbraw/zinc/37/46/51/203374651.db2.gz YKGZZMVOGBHHSN-MCIONIFRSA-N 0 3 249.402 3.287 20 0 BGADHN C[C@@H](NCC[C@H]1CCC[C@@H](C)C1)c1ccn(C)n1 ZINC000459802148 203373455 /nfs/dbraw/zinc/37/34/55/203373455.db2.gz YKGZZMVOGBHHSN-MGPQQGTHSA-N 0 3 249.402 3.287 20 0 BGADHN C[C@H](NCC[C@@H]1CCC[C@@H](C)C1)c1ccn(C)n1 ZINC000459802151 203374490 /nfs/dbraw/zinc/37/44/90/203374490.db2.gz YKGZZMVOGBHHSN-RDBSUJKOSA-N 0 3 249.402 3.287 20 0 BGADHN CCC[C@@H](N[C@@H](C)c1cnc(C)cn1)C1CCC1 ZINC000459811631 203376390 /nfs/dbraw/zinc/37/63/90/203376390.db2.gz VAQBQBBPEYECFD-GXTWGEPZSA-N 0 3 247.386 3.404 20 0 BGADHN CCC[C@H](N[C@@H](C)c1cnc(C)cn1)C1CCC1 ZINC000459811634 203376066 /nfs/dbraw/zinc/37/60/66/203376066.db2.gz VAQBQBBPEYECFD-JSGCOSHPSA-N 0 3 247.386 3.404 20 0 BGADHN CCC[C@H](N[C@H](C)c1cnc(C)cn1)C1CCC1 ZINC000459811638 203376562 /nfs/dbraw/zinc/37/65/62/203376562.db2.gz VAQBQBBPEYECFD-OCCSQVGLSA-N 0 3 247.386 3.404 20 0 BGADHN CCC[C@@H](N[C@H](C)c1cnc(C)cn1)C1CCC1 ZINC000459811640 203376287 /nfs/dbraw/zinc/37/62/87/203376287.db2.gz VAQBQBBPEYECFD-TZMCWYRMSA-N 0 3 247.386 3.404 20 0 BGADHN Cc1ccc(SC[C@@H](C)N(C)C)cc1C ZINC000460423591 384766627 /nfs/dbraw/zinc/76/66/27/384766627.db2.gz CQBHXHZGIORYFK-GFCCVEGCSA-N 0 3 223.385 3.346 20 0 BGADHN Cc1ccc(SC[C@H](C)N(C)C)cc1C ZINC000460423621 384766523 /nfs/dbraw/zinc/76/65/23/384766523.db2.gz CQBHXHZGIORYFK-LBPRGKRZSA-N 0 3 223.385 3.346 20 0 BGADHN Cc1ccc(C)c(SC[C@@H](C)N(C)C)c1 ZINC000460430125 384787552 /nfs/dbraw/zinc/78/75/52/384787552.db2.gz SXDJJUSWCOKKBV-GFCCVEGCSA-N 0 3 223.385 3.346 20 0 BGADHN Cc1ccc(C)c(SC[C@H](C)N(C)C)c1 ZINC000460430127 384787524 /nfs/dbraw/zinc/78/75/24/384787524.db2.gz SXDJJUSWCOKKBV-LBPRGKRZSA-N 0 3 223.385 3.346 20 0 BGADHN CCc1cc(NCCCCF)c2ccccc2n1 ZINC000461878842 388262871 /nfs/dbraw/zinc/26/28/71/388262871.db2.gz VURUNUFABNHHIW-UHFFFAOYSA-N 0 3 246.329 3.381 20 0 BGADHN Cc1cccc2c1ncc(C)c2NCCCCF ZINC000461887604 388262839 /nfs/dbraw/zinc/26/28/39/388262839.db2.gz XTRBPPMSXVHHLT-UHFFFAOYSA-N 0 3 246.329 3.435 20 0 BGADHN CC(C)c1ccc(CN(C)CCC(C)(C)O)cc1 ZINC000462319350 388265355 /nfs/dbraw/zinc/26/53/55/388265355.db2.gz QMAPURPTSCFHDE-UHFFFAOYSA-N 0 3 249.398 3.403 20 0 BGADHN Cc1cccc([C@H](C)NCCOCC2CCC2)c1 ZINC000462370611 388267117 /nfs/dbraw/zinc/26/71/17/388267117.db2.gz SYVDHGJPDHIOOG-AWEZNQCLSA-N 0 3 247.382 3.462 20 0 BGADHN Cc1cccc([C@@H](C)NCCOCC2CCC2)c1 ZINC000462370613 388267516 /nfs/dbraw/zinc/26/75/16/388267516.db2.gz SYVDHGJPDHIOOG-CQSZACIVSA-N 0 3 247.382 3.462 20 0 BGADHN Cc1cccc2c1ncc(C)c2NCC1CC1 ZINC000462488618 388268462 /nfs/dbraw/zinc/26/84/62/388268462.db2.gz XHCKWRZKGDBWHK-UHFFFAOYSA-N 0 3 226.323 3.095 20 0 BGADHN Cc1cccc2c1ncc(C)c2NC1CCC1 ZINC000462504048 224938486 /nfs/dbraw/zinc/93/84/86/224938486.db2.gz MMQIZFFVJVTTFR-UHFFFAOYSA-N 0 3 226.323 3.238 20 0 BGADHN COC[C@@H](C)NCc1ccc(C2CCCC2)cc1 ZINC000462783682 388271590 /nfs/dbraw/zinc/27/15/90/388271590.db2.gz UFKHJQZABTVYEZ-CYBMUJFWSA-N 0 3 247.382 3.469 20 0 BGADHN CCOCCNCc1ccc(C2CCCC2)cc1 ZINC000462794299 388271594 /nfs/dbraw/zinc/27/15/94/388271594.db2.gz WPZFHWBBWFTJJB-UHFFFAOYSA-N 0 3 247.382 3.470 20 0 BGADHN CC[C@@H](C)CN1CC(c2ccccc2F)C1 ZINC000462827227 388273034 /nfs/dbraw/zinc/27/30/34/388273034.db2.gz HFBVZRFAZCMASC-LLVKDONJSA-N 0 3 221.319 3.271 20 0 BGADHN CC[C@H](C)CN1CC(c2ccccc2F)C1 ZINC000462827228 388272867 /nfs/dbraw/zinc/27/28/67/388272867.db2.gz HFBVZRFAZCMASC-NSHDSACASA-N 0 3 221.319 3.271 20 0 BGADHN Cc1ccc([C@H](C)NCCOCC2CCC2)cc1 ZINC000462832045 388272678 /nfs/dbraw/zinc/27/26/78/388272678.db2.gz GMJCYRXXTYQVJY-AWEZNQCLSA-N 0 3 247.382 3.462 20 0 BGADHN Cc1ccc([C@@H](C)NCCOCC2CCC2)cc1 ZINC000462832046 388272938 /nfs/dbraw/zinc/27/29/38/388272938.db2.gz GMJCYRXXTYQVJY-CQSZACIVSA-N 0 3 247.382 3.462 20 0 BGADHN CO[C@H](C)CNCc1ccc(C2CCCC2)cc1 ZINC000462911768 411344921 /nfs/dbraw/zinc/34/49/21/411344921.db2.gz ICQOGHNCCMQYIO-CYBMUJFWSA-N 0 3 247.382 3.469 20 0 BGADHN CO[C@@H](C)CNCc1ccc(C2CCCC2)cc1 ZINC000462911769 411344347 /nfs/dbraw/zinc/34/43/47/411344347.db2.gz ICQOGHNCCMQYIO-ZDUSSCGKSA-N 0 3 247.382 3.469 20 0 BGADHN CCN(Cc1ccc(C(C)C)cc1)[C@H]1CCOC1 ZINC000463023171 388275393 /nfs/dbraw/zinc/27/53/93/388275393.db2.gz GYDJZNXKJNMRNM-INIZCTEOSA-N 0 3 247.382 3.421 20 0 BGADHN CCN(Cc1ccc(C(C)C)cc1)[C@@H]1CCOC1 ZINC000463023172 388275968 /nfs/dbraw/zinc/27/59/68/388275968.db2.gz GYDJZNXKJNMRNM-MRXNPFEDSA-N 0 3 247.382 3.421 20 0 BGADHN CCN(C/C(C)=C\c1ccccc1)[C@H]1CCOC1 ZINC000463024539 388275410 /nfs/dbraw/zinc/27/54/10/388275410.db2.gz PAUFCLKVVCLARO-QBOMHBFWSA-N 0 3 245.366 3.201 20 0 BGADHN CCN(C/C(C)=C\c1ccccc1)[C@@H]1CCOC1 ZINC000463024540 388275619 /nfs/dbraw/zinc/27/56/19/388275619.db2.gz PAUFCLKVVCLARO-SYCZXOQXSA-N 0 3 245.366 3.201 20 0 BGADHN CCN(C/C(C)=C/c1ccccc1)[C@H]1CCOC1 ZINC000463024541 388275343 /nfs/dbraw/zinc/27/53/43/388275343.db2.gz PAUFCLKVVCLARO-UKYUDJEDSA-N 0 3 245.366 3.201 20 0 BGADHN CCN(C/C(C)=C/c1ccccc1)[C@@H]1CCOC1 ZINC000463024542 388275902 /nfs/dbraw/zinc/27/59/02/388275902.db2.gz PAUFCLKVVCLARO-WSYSLRRZSA-N 0 3 245.366 3.201 20 0 BGADHN CCCc1ccc(CN(CC)[C@H]2CCOC2)cc1 ZINC000463026911 388275668 /nfs/dbraw/zinc/27/56/68/388275668.db2.gz DFLFAWIQTNKBJZ-INIZCTEOSA-N 0 3 247.382 3.250 20 0 BGADHN CCCc1ccc(CN(CC)[C@@H]2CCOC2)cc1 ZINC000463026912 388275817 /nfs/dbraw/zinc/27/58/17/388275817.db2.gz DFLFAWIQTNKBJZ-MRXNPFEDSA-N 0 3 247.382 3.250 20 0 BGADHN CCCc1cccc(CN(CC)[C@H]2CCOC2)c1 ZINC000463030374 388276573 /nfs/dbraw/zinc/27/65/73/388276573.db2.gz BBWARQQKWIAWMX-INIZCTEOSA-N 0 3 247.382 3.250 20 0 BGADHN CCCc1cccc(CN(CC)[C@@H]2CCOC2)c1 ZINC000463030375 388276333 /nfs/dbraw/zinc/27/63/33/388276333.db2.gz BBWARQQKWIAWMX-MRXNPFEDSA-N 0 3 247.382 3.250 20 0 BGADHN C[C@H]1CN(c2ccnc3ccccc32)C[C@@H]1C ZINC000463069155 533985350 /nfs/dbraw/zinc/98/53/50/533985350.db2.gz OGHGCAWFDBQIAV-RYUDHWBXSA-N 0 3 226.323 3.327 20 0 BGADHN C[C@H]1CN(c2ccnc3ccccc32)C[C@H]1C ZINC000463069157 388276929 /nfs/dbraw/zinc/27/69/29/388276929.db2.gz OGHGCAWFDBQIAV-TXEJJXNPSA-N 0 3 226.323 3.327 20 0 BGADHN C[C@@H]1CN(c2ccnc3ccccc32)C[C@H]1C ZINC000463069158 224951518 /nfs/dbraw/zinc/95/15/18/224951518.db2.gz OGHGCAWFDBQIAV-VXGBXAGGSA-N 0 3 226.323 3.327 20 0 BGADHN CCc1cccc(NC(=O)C(C)C(F)(F)F)c1 ZINC000463228150 388089873 /nfs/dbraw/zinc/08/98/73/388089873.db2.gz UEMXHEBQUHEXDP-MRVPVSSYSA-N 0 3 245.244 3.386 20 0 BGADHN CCc1cccc(NC(=O)C(C)C(F)(F)F)c1 ZINC000463228151 388089535 /nfs/dbraw/zinc/08/95/35/388089535.db2.gz UEMXHEBQUHEXDP-QMMMGPOBSA-N 0 3 245.244 3.386 20 0 BGADHN Cc1cc(C)cc(NC(=O)C(C)C(F)(F)F)c1 ZINC000463246491 388089926 /nfs/dbraw/zinc/08/99/26/388089926.db2.gz DLFMRHXBJDHUOG-SECBINFHSA-N 0 3 245.244 3.440 20 0 BGADHN Cc1cc(C)cc(NC(=O)C(C)C(F)(F)F)c1 ZINC000463246492 388089780 /nfs/dbraw/zinc/08/97/80/388089780.db2.gz DLFMRHXBJDHUOG-VIFPVBQESA-N 0 3 245.244 3.440 20 0 BGADHN Cc1ccc(NC(=O)C(C)C(F)(F)F)cc1C ZINC000463246576 388089591 /nfs/dbraw/zinc/08/95/91/388089591.db2.gz JTVXJHVMYCEMHU-SECBINFHSA-N 0 3 245.244 3.440 20 0 BGADHN Cc1ccc(NC(=O)C(C)C(F)(F)F)cc1C ZINC000463246577 388089806 /nfs/dbraw/zinc/08/98/06/388089806.db2.gz JTVXJHVMYCEMHU-VIFPVBQESA-N 0 3 245.244 3.440 20 0 BGADHN CCc1ccc(NC(=O)C(C)C(F)(F)F)cc1 ZINC000463252506 388089755 /nfs/dbraw/zinc/08/97/55/388089755.db2.gz OCLSWFICERWPEA-MRVPVSSYSA-N 0 3 245.244 3.386 20 0 BGADHN CCc1ccc(NC(=O)C(C)C(F)(F)F)cc1 ZINC000463252507 388090140 /nfs/dbraw/zinc/09/01/40/388090140.db2.gz OCLSWFICERWPEA-QMMMGPOBSA-N 0 3 245.244 3.386 20 0 BGADHN CCc1ccccc1NC(=O)C(C)C(F)(F)F ZINC000463325196 398013986 /nfs/dbraw/zinc/01/39/86/398013986.db2.gz AWNGOBBNBONWKN-MRVPVSSYSA-N 0 3 245.244 3.386 20 0 BGADHN CCc1ccccc1NC(=O)C(C)C(F)(F)F ZINC000463325197 398013800 /nfs/dbraw/zinc/01/38/00/398013800.db2.gz AWNGOBBNBONWKN-QMMMGPOBSA-N 0 3 245.244 3.386 20 0 BGADHN CCC(C)(C)c1ccc(CN(C)C[C@@H](C)O)cc1 ZINC000463350423 388091701 /nfs/dbraw/zinc/09/17/01/388091701.db2.gz JVZCDNCDNGMCHB-CYBMUJFWSA-N 0 3 249.398 3.187 20 0 BGADHN CCC(C)(C)c1ccc(CN(C)C[C@H](C)O)cc1 ZINC000463353530 388091384 /nfs/dbraw/zinc/09/13/84/388091384.db2.gz JVZCDNCDNGMCHB-ZDUSSCGKSA-N 0 3 249.398 3.187 20 0 BGADHN CCCCOc1ccccc1CN1CCCC1 ZINC000463740388 388092381 /nfs/dbraw/zinc/09/23/81/388092381.db2.gz CNSZXIWGZCMXCN-UHFFFAOYSA-N 0 3 233.355 3.461 20 0 BGADHN CC(C)CCN1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000464832317 388104490 /nfs/dbraw/zinc/10/44/90/388104490.db2.gz SRSYHTHEUMSGNC-GDBMZVCRSA-N 0 3 247.382 3.495 20 0 BGADHN CC(C)CCN1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000464832319 527727114 /nfs/dbraw/zinc/72/71/14/527727114.db2.gz SRSYHTHEUMSGNC-GOEBONIOSA-N 0 3 247.382 3.495 20 0 BGADHN CC(C)CCN1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000464832321 388104513 /nfs/dbraw/zinc/10/45/13/388104513.db2.gz SRSYHTHEUMSGNC-HOCLYGCPSA-N 0 3 247.382 3.495 20 0 BGADHN CC(C)CCN1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000464832323 388104274 /nfs/dbraw/zinc/10/42/74/388104274.db2.gz SRSYHTHEUMSGNC-ZBFHGGJFSA-N 0 3 247.382 3.495 20 0 BGADHN C[C@@H]1C[C@@H](C)N(Cc2nc3cc(F)ccc3o2)C1 ZINC000464872293 388107077 /nfs/dbraw/zinc/10/70/77/388107077.db2.gz IIQXMOLYKIJHBJ-NXEZZACHSA-N 0 3 248.301 3.197 20 0 BGADHN C[C@H]1C[C@H](C)N(Cc2nc3cc(F)ccc3o2)C1 ZINC000464872294 388107331 /nfs/dbraw/zinc/10/73/31/388107331.db2.gz IIQXMOLYKIJHBJ-UWVGGRQHSA-N 0 3 248.301 3.197 20 0 BGADHN C[C@@H]1C[C@H](C)CN1Cc1nc2cc(F)ccc2o1 ZINC000464872295 388107341 /nfs/dbraw/zinc/10/73/41/388107341.db2.gz IIQXMOLYKIJHBJ-VHSXEESVSA-N 0 3 248.301 3.197 20 0 BGADHN C[C@@H]1C[C@H](C)N(Cc2nc3cc(F)ccc3o2)C1 ZINC000464872296 388107437 /nfs/dbraw/zinc/10/74/37/388107437.db2.gz IIQXMOLYKIJHBJ-ZJUUUORDSA-N 0 3 248.301 3.197 20 0 BGADHN C[C@@H]1C[C@H](C)N(c2ccnc3ccccc32)C1 ZINC000465052300 388109516 /nfs/dbraw/zinc/10/95/16/388109516.db2.gz BHZDSNGGNXTFNH-NEPJUHHUSA-N 0 3 226.323 3.470 20 0 BGADHN C[C@@H]1C[C@H](C)CN1c1ccnc2ccccc21 ZINC000465052301 388109381 /nfs/dbraw/zinc/10/93/81/388109381.db2.gz BHZDSNGGNXTFNH-NWDGAFQWSA-N 0 3 226.323 3.470 20 0 BGADHN C[C@H]1C[C@H](C)N(c2ccnc3ccccc32)C1 ZINC000465052302 224978474 /nfs/dbraw/zinc/97/84/74/224978474.db2.gz BHZDSNGGNXTFNH-RYUDHWBXSA-N 0 3 226.323 3.470 20 0 BGADHN C[C@@H]1C[C@@H](C)N(c2ccnc3ccccc32)C1 ZINC000465052303 388109334 /nfs/dbraw/zinc/10/93/34/388109334.db2.gz BHZDSNGGNXTFNH-VXGBXAGGSA-N 0 3 226.323 3.470 20 0 BGADHN c1ccc2c(c1)nccc2N1C[C@@H]2CCC[C@@H]2C1 ZINC000465052399 388109360 /nfs/dbraw/zinc/10/93/60/388109360.db2.gz YRMAZNVPWDOWQN-BETUJISGSA-N 0 3 238.334 3.471 20 0 BGADHN c1ccc2c(c1)nccc2N1C[C@H]2CCC[C@@H]2C1 ZINC000465052400 388109520 /nfs/dbraw/zinc/10/95/20/388109520.db2.gz YRMAZNVPWDOWQN-CHWSQXEVSA-N 0 3 238.334 3.471 20 0 BGADHN c1ccc2c(c1)nccc2N1C[C@@H]2CCC[C@H]2C1 ZINC000465052401 388108894 /nfs/dbraw/zinc/10/88/94/388108894.db2.gz YRMAZNVPWDOWQN-STQMWFEESA-N 0 3 238.334 3.471 20 0 BGADHN Cc1cc(NC2CCN(C)CC2)ccc1C1CC1 ZINC000466364917 388117434 /nfs/dbraw/zinc/11/74/34/388117434.db2.gz RQCOARYTKDQUIF-UHFFFAOYSA-N 0 3 244.382 3.379 20 0 BGADHN CCC[C@H](C)CN[C@H]1COc2ccc(F)cc21 ZINC000466453601 388118723 /nfs/dbraw/zinc/11/87/23/388118723.db2.gz DXJCJLSGJHSMSH-GWCFXTLKSA-N 0 3 237.318 3.285 20 0 BGADHN CCC[C@H](C)CN[C@@H]1COc2ccc(F)cc21 ZINC000466453602 388118528 /nfs/dbraw/zinc/11/85/28/388118528.db2.gz DXJCJLSGJHSMSH-GXFFZTMASA-N 0 3 237.318 3.285 20 0 BGADHN CCC[C@@H](C)CN[C@H]1COc2ccc(F)cc21 ZINC000466453603 388118511 /nfs/dbraw/zinc/11/85/11/388118511.db2.gz DXJCJLSGJHSMSH-MFKMUULPSA-N 0 3 237.318 3.285 20 0 BGADHN CCC[C@@H](C)CN[C@@H]1COc2ccc(F)cc21 ZINC000466453604 388118426 /nfs/dbraw/zinc/11/84/26/388118426.db2.gz DXJCJLSGJHSMSH-ZWNOBZJWSA-N 0 3 237.318 3.285 20 0 BGADHN CCCCCN1CCN(c2cccs2)CC1 ZINC000466480242 388118977 /nfs/dbraw/zinc/11/89/77/388118977.db2.gz DYMSFSRQFLYECD-UHFFFAOYSA-N 0 3 238.400 3.060 20 0 BGADHN CC/C=C\CCN1CCOC2(CCCCC2)C1 ZINC000466801020 528789078 /nfs/dbraw/zinc/78/90/78/528789078.db2.gz JROLGCSULZJTBQ-ARJAWSKDSA-N 0 3 237.387 3.378 20 0 BGADHN CC/C=C/CCN1CCOC2(CCCCC2)C1 ZINC000466801021 528772765 /nfs/dbraw/zinc/77/27/65/528772765.db2.gz JROLGCSULZJTBQ-ONEGZZNKSA-N 0 3 237.387 3.378 20 0 BGADHN CC/C=C\CCN1CCN(c2ccccc2)CC1 ZINC000466839436 528789229 /nfs/dbraw/zinc/78/92/29/528789229.db2.gz AZXFIHJSSCUMJH-ARJAWSKDSA-N 0 3 244.382 3.165 20 0 BGADHN CC/C=C/CCN1CCN(c2ccccc2)CC1 ZINC000466839437 528770138 /nfs/dbraw/zinc/77/01/38/528770138.db2.gz AZXFIHJSSCUMJH-ONEGZZNKSA-N 0 3 244.382 3.165 20 0 BGADHN CC[C@@H]1C[C@H](C)CN1Cc1cn2ccsc2n1 ZINC000466936984 529439879 /nfs/dbraw/zinc/43/98/79/529439879.db2.gz YOAQDTCPQXJCIN-CMPLNLGQSA-N 0 3 249.383 3.016 20 0 BGADHN CC[C@H]1C[C@H](C)CN1Cc1cn2ccsc2n1 ZINC000466936985 529325515 /nfs/dbraw/zinc/32/55/15/529325515.db2.gz YOAQDTCPQXJCIN-JQWIXIFHSA-N 0 3 249.383 3.016 20 0 BGADHN CC[C@H]1C[C@@H](C)CN1Cc1cn2ccsc2n1 ZINC000466936986 529316582 /nfs/dbraw/zinc/31/65/82/529316582.db2.gz YOAQDTCPQXJCIN-PWSUYJOCSA-N 0 3 249.383 3.016 20 0 BGADHN CC[C@@H]1C[C@@H](C)CN1Cc1cn2ccsc2n1 ZINC000466936987 529423350 /nfs/dbraw/zinc/42/33/50/529423350.db2.gz YOAQDTCPQXJCIN-ZYHUDNBSSA-N 0 3 249.383 3.016 20 0 BGADHN C[C@@H]1C[C@@H](C)N(Cc2nc3ccc(F)cc3o2)C1 ZINC000466970193 225005462 /nfs/dbraw/zinc/00/54/62/225005462.db2.gz XXAXYOSGBFDZJS-NXEZZACHSA-N 0 3 248.301 3.197 20 0 BGADHN C[C@H]1C[C@H](C)N(Cc2nc3ccc(F)cc3o2)C1 ZINC000466970194 225006101 /nfs/dbraw/zinc/00/61/01/225006101.db2.gz XXAXYOSGBFDZJS-UWVGGRQHSA-N 0 3 248.301 3.197 20 0 BGADHN C[C@@H]1C[C@H](C)CN1Cc1nc2ccc(F)cc2o1 ZINC000466970195 533807559 /nfs/dbraw/zinc/80/75/59/533807559.db2.gz XXAXYOSGBFDZJS-VHSXEESVSA-N 0 3 248.301 3.197 20 0 BGADHN C[C@@H]1C[C@H](C)N(Cc2nc3ccc(F)cc3o2)C1 ZINC000466970196 225005997 /nfs/dbraw/zinc/00/59/97/225005997.db2.gz XXAXYOSGBFDZJS-ZJUUUORDSA-N 0 3 248.301 3.197 20 0 BGADHN CO[C@@H]1CN(C/C=C\c2ccccc2)CC[C@H]1C ZINC000467291083 533470649 /nfs/dbraw/zinc/47/06/49/533470649.db2.gz UHTDXCXPQLQBPF-YRPJOXRESA-N 0 3 245.366 3.057 20 0 BGADHN CO[C@@H]1CN(C/C=C\c2ccccc2)CC[C@@H]1C ZINC000467291084 533470320 /nfs/dbraw/zinc/47/03/20/533470320.db2.gz UHTDXCXPQLQBPF-ZJIBPLLGSA-N 0 3 245.366 3.057 20 0 BGADHN CCc1ccc(CN2CC[C@H](C)[C@@H](OC)C2)cc1 ZINC000467292066 529642133 /nfs/dbraw/zinc/64/21/33/529642133.db2.gz ZAVNUBYFNOKLLZ-BBRMVZONSA-N 0 3 247.382 3.106 20 0 BGADHN CCc1ccc(CN2CC[C@@H](C)[C@@H](OC)C2)cc1 ZINC000467292067 529642556 /nfs/dbraw/zinc/64/25/56/529642556.db2.gz ZAVNUBYFNOKLLZ-CJNGLKHVSA-N 0 3 247.382 3.106 20 0 BGADHN CCc1ccc(CN2CC[C@@H](C)[C@H](OC)C2)cc1 ZINC000467292068 529642596 /nfs/dbraw/zinc/64/25/96/529642596.db2.gz ZAVNUBYFNOKLLZ-CZUORRHYSA-N 0 3 247.382 3.106 20 0 BGADHN CCc1ccc(CN2CC[C@H](C)[C@H](OC)C2)cc1 ZINC000467292069 529642421 /nfs/dbraw/zinc/64/24/21/529642421.db2.gz ZAVNUBYFNOKLLZ-XJKSGUPXSA-N 0 3 247.382 3.106 20 0 BGADHN CC1(C)CCCN(CCc2ccccc2F)C1 ZINC000467362033 528938336 /nfs/dbraw/zinc/93/83/36/528938336.db2.gz LRLMLCJMZCEIRJ-UHFFFAOYSA-N 0 3 235.346 3.490 20 0 BGADHN CC[C@H]1CN(Cc2ccc(C)c(C)c2)CCCO1 ZINC000467556157 529297083 /nfs/dbraw/zinc/29/70/83/529297083.db2.gz XIGABAGWDQWKEG-INIZCTEOSA-N 0 3 247.382 3.304 20 0 BGADHN CC[C@@H]1CN(Cc2ccc(C)c(C)c2)CCCO1 ZINC000467556163 529396896 /nfs/dbraw/zinc/39/68/96/529396896.db2.gz XIGABAGWDQWKEG-MRXNPFEDSA-N 0 3 247.382 3.304 20 0 BGADHN CC[C@@H]1CN(C/C=C\c2ccccc2)CCCO1 ZINC000467559533 529385676 /nfs/dbraw/zinc/38/56/76/529385676.db2.gz ILJRADXAFZXCIX-CXSQMQJXSA-N 0 3 245.366 3.201 20 0 BGADHN CC[C@H]1CN(C/C=C\c2ccccc2)CCCO1 ZINC000467559534 529286189 /nfs/dbraw/zinc/28/61/89/529286189.db2.gz ILJRADXAFZXCIX-DIEDAUMRSA-N 0 3 245.366 3.201 20 0 BGADHN CCc1ccc(CN2CCCO[C@@H](CC)C2)cc1 ZINC000467569884 529639314 /nfs/dbraw/zinc/63/93/14/529639314.db2.gz ZNUOXJHSSJSVTD-INIZCTEOSA-N 0 3 247.382 3.250 20 0 BGADHN CCc1ccc(CN2CCCO[C@H](CC)C2)cc1 ZINC000467569885 529639498 /nfs/dbraw/zinc/63/94/98/529639498.db2.gz ZNUOXJHSSJSVTD-MRXNPFEDSA-N 0 3 247.382 3.250 20 0 BGADHN C[C@@H]1CCCC[C@@H]1N[C@@H]1COc2ccc(F)cc21 ZINC000468029500 225018735 /nfs/dbraw/zinc/01/87/35/225018735.db2.gz FVCUZLRGHFMDTJ-DDTOSNHZSA-N 0 3 249.329 3.428 20 0 BGADHN C[C@@H]1CCCC[C@H]1N[C@H]1COc2ccc(F)cc21 ZINC000468029501 533619466 /nfs/dbraw/zinc/61/94/66/533619466.db2.gz FVCUZLRGHFMDTJ-HONMWMINSA-N 0 3 249.329 3.428 20 0 BGADHN C[C@@H]1CCCC[C@H]1N[C@@H]1COc2ccc(F)cc21 ZINC000468029502 533618301 /nfs/dbraw/zinc/61/83/01/533618301.db2.gz FVCUZLRGHFMDTJ-LERXQTSPSA-N 0 3 249.329 3.428 20 0 BGADHN C[C@@H]1CCCC[C@@H]1N[C@H]1COc2ccc(F)cc21 ZINC000468029503 225018369 /nfs/dbraw/zinc/01/83/69/225018369.db2.gz FVCUZLRGHFMDTJ-SWHYSGLUSA-N 0 3 249.329 3.428 20 0 BGADHN CCCC[C@H](C)N[C@H]1COc2ccc(F)cc21 ZINC000468039963 528894360 /nfs/dbraw/zinc/89/43/60/528894360.db2.gz UIWDFBKPGCKMPL-GWCFXTLKSA-N 0 3 237.318 3.428 20 0 BGADHN CCCC[C@H](C)N[C@@H]1COc2ccc(F)cc21 ZINC000468039964 528894849 /nfs/dbraw/zinc/89/48/49/528894849.db2.gz UIWDFBKPGCKMPL-GXFFZTMASA-N 0 3 237.318 3.428 20 0 BGADHN CCCC[C@@H](C)N[C@H]1COc2ccc(F)cc21 ZINC000468039965 528764746 /nfs/dbraw/zinc/76/47/46/528764746.db2.gz UIWDFBKPGCKMPL-MFKMUULPSA-N 0 3 237.318 3.428 20 0 BGADHN CCCC[C@@H](C)N[C@@H]1COc2ccc(F)cc21 ZINC000468039966 528765132 /nfs/dbraw/zinc/76/51/32/528765132.db2.gz UIWDFBKPGCKMPL-ZWNOBZJWSA-N 0 3 237.318 3.428 20 0 BGADHN C[C@H](N[C@H]1COc2ccc(F)cc21)C1CCCC1 ZINC000468045296 225020104 /nfs/dbraw/zinc/02/01/04/225020104.db2.gz RYHVBJXFYIASPL-HZMBPMFUSA-N 0 3 249.329 3.428 20 0 BGADHN C[C@H](N[C@@H]1COc2ccc(F)cc21)C1CCCC1 ZINC000468045297 225020046 /nfs/dbraw/zinc/02/00/46/225020046.db2.gz RYHVBJXFYIASPL-IINYFYTJSA-N 0 3 249.329 3.428 20 0 BGADHN C[C@@H](N[C@@H]1COc2ccc(F)cc21)C1CCCC1 ZINC000468045298 533530389 /nfs/dbraw/zinc/53/03/89/533530389.db2.gz RYHVBJXFYIASPL-QMTHXVAHSA-N 0 3 249.329 3.428 20 0 BGADHN C[C@@H](N[C@H]1COc2ccc(F)cc21)C1CCCC1 ZINC000468045299 533548178 /nfs/dbraw/zinc/54/81/78/533548178.db2.gz RYHVBJXFYIASPL-YGRLFVJLSA-N 0 3 249.329 3.428 20 0 BGADHN CCCCOc1ccccc1CN(C)C1CC1 ZINC000468396027 528700587 /nfs/dbraw/zinc/70/05/87/528700587.db2.gz SUPJGRDRRDYRGP-UHFFFAOYSA-N 0 3 233.355 3.460 20 0 BGADHN Cc1cc(Cl)ccc1CN1CC[C@H](C)C1 ZINC000468397133 533780715 /nfs/dbraw/zinc/78/07/15/533780715.db2.gz IOWZWYGLJYIALJ-JTQLQIEISA-N 0 3 223.747 3.490 20 0 BGADHN Cc1cc(Cl)ccc1CN1CC[C@@H](C)C1 ZINC000468397134 533779364 /nfs/dbraw/zinc/77/93/64/533779364.db2.gz IOWZWYGLJYIALJ-SNVBAGLBSA-N 0 3 223.747 3.490 20 0 BGADHN CCCCOc1ccccc1CN(C)CC ZINC000468401769 528700674 /nfs/dbraw/zinc/70/06/74/528700674.db2.gz MGHFFHMLIRYDHC-UHFFFAOYSA-N 0 3 221.344 3.317 20 0 BGADHN C[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1cncc(F)c1 ZINC000468491856 534056324 /nfs/dbraw/zinc/05/63/24/534056324.db2.gz KPBVZVJFGRZNAG-KYOSRNDESA-N 0 3 248.345 3.374 20 0 BGADHN C[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1cncc(F)c1 ZINC000468491857 225027420 /nfs/dbraw/zinc/02/74/20/225027420.db2.gz KPBVZVJFGRZNAG-OSAQELSMSA-N 0 3 248.345 3.374 20 0 BGADHN C[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cncc(F)c1 ZINC000468491858 225027482 /nfs/dbraw/zinc/02/74/82/225027482.db2.gz KPBVZVJFGRZNAG-UXIGCNINSA-N 0 3 248.345 3.374 20 0 BGADHN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cncc(F)c1 ZINC000468491859 533757520 /nfs/dbraw/zinc/75/75/20/533757520.db2.gz KPBVZVJFGRZNAG-ZLDLUXBVSA-N 0 3 248.345 3.374 20 0 BGADHN CCC(CC)CN[C@@H]1COc2ccc(F)cc21 ZINC000468693711 528763080 /nfs/dbraw/zinc/76/30/80/528763080.db2.gz LMKLOHAIFRHJHU-CYBMUJFWSA-N 0 3 237.318 3.285 20 0 BGADHN CCC(CC)CN[C@H]1COc2ccc(F)cc21 ZINC000468693712 528763558 /nfs/dbraw/zinc/76/35/58/528763558.db2.gz LMKLOHAIFRHJHU-ZDUSSCGKSA-N 0 3 237.318 3.285 20 0 BGADHN CCc1cccc(CN(C)C[C@@H]2CCCCO2)c1 ZINC000468849102 529168261 /nfs/dbraw/zinc/16/82/61/529168261.db2.gz GIBUTUQWOPWQFC-INIZCTEOSA-N 0 3 247.382 3.250 20 0 BGADHN CCc1cccc(CN(C)C[C@H]2CCCCO2)c1 ZINC000468849246 529168455 /nfs/dbraw/zinc/16/84/55/529168455.db2.gz GIBUTUQWOPWQFC-MRXNPFEDSA-N 0 3 247.382 3.250 20 0 BGADHN CCN1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000469446887 528960076 /nfs/dbraw/zinc/96/00/76/528960076.db2.gz UUCQGKUJMVEYHQ-UHFFFAOYSA-N 0 3 237.293 3.464 20 0 BGADHN CCc1cccc(CN2CC=C(C)CC2)c1 ZINC000469725720 529168436 /nfs/dbraw/zinc/16/84/36/529168436.db2.gz QCWXGSDSSJHJFJ-UHFFFAOYSA-N 0 3 215.340 3.401 20 0 BGADHN CCC1CCN(CCc2ccccc2F)CC1 ZINC000469897120 527869459 /nfs/dbraw/zinc/86/94/59/527869459.db2.gz MDJFONYSJFMILZ-UHFFFAOYSA-N 0 3 235.346 3.490 20 0 BGADHN CC(C)c1ccc(CCN2CCCOCC2)cc1 ZINC000469907893 537988432 /nfs/dbraw/zinc/98/84/32/537988432.db2.gz ONEAPORAKRPTSE-UHFFFAOYSA-N 0 3 247.382 3.075 20 0 BGADHN CC(C)c1ccc(CCN2CCSCC2)cc1 ZINC000469912978 528088169 /nfs/dbraw/zinc/08/81/69/528088169.db2.gz BYONMZNXTXJZIF-UHFFFAOYSA-N 0 3 249.423 3.401 20 0 BGADHN CC(C)[C@@H]1CCCN(Cc2ccc(F)cn2)C1 ZINC000469981208 528668363 /nfs/dbraw/zinc/66/83/63/528668363.db2.gz HAISILWIXDNEBM-GFCCVEGCSA-N 0 3 236.334 3.089 20 0 BGADHN CC(C)[C@H]1CCCN(Cc2ccc(F)cn2)C1 ZINC000469981214 527777905 /nfs/dbraw/zinc/77/79/05/527777905.db2.gz HAISILWIXDNEBM-LBPRGKRZSA-N 0 3 236.334 3.089 20 0 BGADHN CCOCCN(C)CCc1ccc(C(C)C)cc1 ZINC000470301451 528713374 /nfs/dbraw/zinc/71/33/74/528713374.db2.gz FFXQUCFLHYSWME-UHFFFAOYSA-N 0 3 249.398 3.321 20 0 BGADHN CC(C)C[C@@H](C)NCc1ccc2c(n1)CCCC2 ZINC000470361422 528268481 /nfs/dbraw/zinc/26/84/81/528268481.db2.gz BAEKHHCELXIPSC-CYBMUJFWSA-N 0 3 246.398 3.485 20 0 BGADHN CC(C)C[C@H](C)NCc1ccc2c(n1)CCCC2 ZINC000470361423 528475740 /nfs/dbraw/zinc/47/57/40/528475740.db2.gz BAEKHHCELXIPSC-ZDUSSCGKSA-N 0 3 246.398 3.485 20 0 BGADHN CO[C@]1(C)CCCN(C/C=C\c2ccccc2)C1 ZINC000470906723 533368871 /nfs/dbraw/zinc/36/88/71/533368871.db2.gz OVMLKJIKBVUVLJ-CXSQMQJXSA-N 0 3 245.366 3.201 20 0 BGADHN CO[C@@]1(C)CCCN(C/C=C/c2ccccc2)C1 ZINC000470906725 225061012 /nfs/dbraw/zinc/06/10/12/225061012.db2.gz OVMLKJIKBVUVLJ-DHINHOHASA-N 0 3 245.366 3.201 20 0 BGADHN CO[C@@]1(C)CCCN(C/C=C\c2ccccc2)C1 ZINC000470906727 225062114 /nfs/dbraw/zinc/06/21/14/225062114.db2.gz OVMLKJIKBVUVLJ-DIEDAUMRSA-N 0 3 245.366 3.201 20 0 BGADHN CO[C@]1(C)CCCN(C/C=C/c2ccccc2)C1 ZINC000470906728 533368341 /nfs/dbraw/zinc/36/83/41/533368341.db2.gz OVMLKJIKBVUVLJ-VGZDNEPHSA-N 0 3 245.366 3.201 20 0 BGADHN C[C@@H]1[C@H](C(F)(F)F)CCN1[C@@H]1C=CCCC1 ZINC000470952960 225061209 /nfs/dbraw/zinc/06/12/09/225061209.db2.gz IXHPICJIPUXHRN-GMTAPVOTSA-N 0 3 233.277 3.368 20 0 BGADHN C[C@@H]1[C@@H](C(F)(F)F)CCN1[C@@H]1C=CCCC1 ZINC000470952961 534228105 /nfs/dbraw/zinc/22/81/05/534228105.db2.gz IXHPICJIPUXHRN-MXWKQRLJSA-N 0 3 233.277 3.368 20 0 BGADHN C[C@@H]1[C@H](C(F)(F)F)CCN1[C@H]1C=CCCC1 ZINC000470952962 225061174 /nfs/dbraw/zinc/06/11/74/225061174.db2.gz IXHPICJIPUXHRN-OUAUKWLOSA-N 0 3 233.277 3.368 20 0 BGADHN C[C@@H]1[C@@H](C(F)(F)F)CCN1[C@H]1C=CCCC1 ZINC000470952963 534228155 /nfs/dbraw/zinc/22/81/55/534228155.db2.gz IXHPICJIPUXHRN-VWYCJHECSA-N 0 3 233.277 3.368 20 0 BGADHN CCCC[C@@H](CC)CN(C)Cc1ccnn1C ZINC000471063391 528774986 /nfs/dbraw/zinc/77/49/86/528774986.db2.gz PRNAVPQEDNHJIU-CYBMUJFWSA-N 0 3 237.391 3.068 20 0 BGADHN CCCC[C@H](CC)CN(C)Cc1ccnn1C ZINC000471063392 528907184 /nfs/dbraw/zinc/90/71/84/528907184.db2.gz PRNAVPQEDNHJIU-ZDUSSCGKSA-N 0 3 237.391 3.068 20 0 BGADHN CC[C@@H]([NH2+]Cc1cc([O-])cc(F)c1)C(C)(C)C ZINC000472041101 529181846 /nfs/dbraw/zinc/18/18/46/529181846.db2.gz KJSSMUUMVLLJGI-CYBMUJFWSA-N 0 3 239.334 3.446 20 0 BGADHN CC[C@H]([NH2+]Cc1cc([O-])cc(F)c1)C(C)(C)C ZINC000472041102 529624634 /nfs/dbraw/zinc/62/46/34/529624634.db2.gz KJSSMUUMVLLJGI-ZDUSSCGKSA-N 0 3 239.334 3.446 20 0 BGADHN CC(C)(CF)NC/C=C\c1ccc(F)cc1F ZINC000472143764 527067209 /nfs/dbraw/zinc/06/72/09/527067209.db2.gz HJZDTXWKXCROTK-ARJAWSKDSA-N 0 3 243.272 3.316 20 0 BGADHN CC(C)(CF)NC/C=C/c1ccc(F)cc1F ZINC000472143765 527067361 /nfs/dbraw/zinc/06/73/61/527067361.db2.gz HJZDTXWKXCROTK-ONEGZZNKSA-N 0 3 243.272 3.316 20 0 BGADHN COc1ccc([C@H](C)CNC(C)(C)CF)cc1 ZINC000472147196 533156658 /nfs/dbraw/zinc/15/66/58/533156658.db2.gz IITIOJMNVDFLMS-LLVKDONJSA-N 0 3 239.334 3.136 20 0 BGADHN COc1ccc([C@@H](C)CNC(C)(C)CF)cc1 ZINC000472147197 533097432 /nfs/dbraw/zinc/09/74/32/533097432.db2.gz IITIOJMNVDFLMS-NSHDSACASA-N 0 3 239.334 3.136 20 0 BGADHN CC(C)CCN1CCc2ccc(F)cc2C1 ZINC000472560697 527727237 /nfs/dbraw/zinc/72/72/37/527727237.db2.gz CJQOMVSUTJDLNR-UHFFFAOYSA-N 0 3 221.319 3.230 20 0 BGADHN C[C@@H](CCN1CCOCC1(C)C)c1ccccc1 ZINC000472598690 533586428 /nfs/dbraw/zinc/58/64/28/533586428.db2.gz SGMRWQGTBYNIKF-AWEZNQCLSA-N 0 3 247.382 3.291 20 0 BGADHN C[C@H](CCN1CCOCC1(C)C)c1ccccc1 ZINC000472598935 533917281 /nfs/dbraw/zinc/91/72/81/533917281.db2.gz SGMRWQGTBYNIKF-CQSZACIVSA-N 0 3 247.382 3.291 20 0 BGADHN CC1(C)COCCN1CCC1CCCCC1 ZINC000472600302 529131107 /nfs/dbraw/zinc/13/11/07/529131107.db2.gz YDOMDWFJPARSCL-UHFFFAOYSA-N 0 3 225.376 3.068 20 0 BGADHN CCCCCN1CCc2ccc(F)cc2C1 ZINC000472604398 528186204 /nfs/dbraw/zinc/18/62/04/528186204.db2.gz PIQOZNIAYCZFJB-UHFFFAOYSA-N 0 3 221.319 3.374 20 0 BGADHN C[C@@H]1CN(CCC2CCCCC2)C[C@H](C)O1 ZINC000472605031 225099230 /nfs/dbraw/zinc/09/92/30/225099230.db2.gz QRLHHULPHPTAQX-BETUJISGSA-N 0 3 225.376 3.066 20 0 BGADHN C[C@@H]1CN(CCC2CCCCC2)C[C@@H](C)O1 ZINC000472605032 225099704 /nfs/dbraw/zinc/09/97/04/225099704.db2.gz QRLHHULPHPTAQX-CHWSQXEVSA-N 0 3 225.376 3.066 20 0 BGADHN C[C@H]1CN(CCC2CCCCC2)C[C@H](C)O1 ZINC000472605033 533925108 /nfs/dbraw/zinc/92/51/08/533925108.db2.gz QRLHHULPHPTAQX-STQMWFEESA-N 0 3 225.376 3.066 20 0 BGADHN CC(C)[C@@H]1CCN(Cc2ccncc2Cl)C1 ZINC000473053182 528700073 /nfs/dbraw/zinc/70/00/73/528700073.db2.gz ULFALFLMGAXPLC-LLVKDONJSA-N 0 3 238.762 3.213 20 0 BGADHN CC(C)[C@H]1CCN(Cc2ccncc2Cl)C1 ZINC000473053183 527799856 /nfs/dbraw/zinc/79/98/56/527799856.db2.gz ULFALFLMGAXPLC-NSHDSACASA-N 0 3 238.762 3.213 20 0 BGADHN C[C@@H]1CCCC[C@H]1CN1CCC=C(F)C1 ZINC000473115352 225101851 /nfs/dbraw/zinc/10/18/51/225101851.db2.gz ABQFHPHPUDXLLW-NEPJUHHUSA-N 0 3 211.324 3.372 20 0 BGADHN C[C@H]1CCCC[C@@H]1CN1CCC=C(F)C1 ZINC000473115355 225102122 /nfs/dbraw/zinc/10/21/22/225102122.db2.gz ABQFHPHPUDXLLW-NWDGAFQWSA-N 0 3 211.324 3.372 20 0 BGADHN C[C@H]1CCCC[C@H]1CN1CCC=C(F)C1 ZINC000473115356 225102698 /nfs/dbraw/zinc/10/26/98/225102698.db2.gz ABQFHPHPUDXLLW-RYUDHWBXSA-N 0 3 211.324 3.372 20 0 BGADHN C[C@@H]1CCCC[C@@H]1CN1CCC=C(F)C1 ZINC000473115357 225102335 /nfs/dbraw/zinc/10/23/35/225102335.db2.gz ABQFHPHPUDXLLW-VXGBXAGGSA-N 0 3 211.324 3.372 20 0 BGADHN CCCCN(C)Cc1nn(CC)c2ccccc12 ZINC000473140313 528361418 /nfs/dbraw/zinc/36/14/18/528361418.db2.gz MANCBYAEEGDDOK-UHFFFAOYSA-N 0 3 245.370 3.288 20 0 BGADHN CCCN(C)Cc1c(F)cccc1CC ZINC000474107182 527850467 /nfs/dbraw/zinc/85/04/67/527850467.db2.gz RXGOABOQNSLCQD-UHFFFAOYSA-N 0 3 209.308 3.230 20 0 BGADHN CCc1cccc(F)c1CN(C)CC1CC1 ZINC000474149547 529172448 /nfs/dbraw/zinc/17/24/48/529172448.db2.gz INKOFMFQYVMECV-UHFFFAOYSA-N 0 3 221.319 3.230 20 0 BGADHN CCc1cccc(F)c1CN1CC[C@@H](C)C1 ZINC000474151414 529173524 /nfs/dbraw/zinc/17/35/24/529173524.db2.gz QLJQTKANARAYCC-LLVKDONJSA-N 0 3 221.319 3.230 20 0 BGADHN CCc1cccc(F)c1CN1CC[C@H](C)C1 ZINC000474151415 529173164 /nfs/dbraw/zinc/17/31/64/529173164.db2.gz QLJQTKANARAYCC-NSHDSACASA-N 0 3 221.319 3.230 20 0 BGADHN Cc1ccncc1CN1CCC(C(C)C)CC1 ZINC000474259770 225115155 /nfs/dbraw/zinc/11/51/55/225115155.db2.gz RCZNFTSQECVDPK-UHFFFAOYSA-N 0 3 232.371 3.258 20 0 BGADHN CCc1cccc(Cl)c1CN1CCCC1 ZINC000474370798 529171723 /nfs/dbraw/zinc/17/17/23/529171723.db2.gz NIHLVMFGNPTQJW-UHFFFAOYSA-N 0 3 223.747 3.498 20 0 BGADHN CCc1cccc(F)c1CN1CCCCC1 ZINC000474395120 529173349 /nfs/dbraw/zinc/17/33/49/529173349.db2.gz RIIOJWOBCVCHJB-UHFFFAOYSA-N 0 3 221.319 3.374 20 0 BGADHN CCc1cccc(F)c1CNCCc1ccco1 ZINC000474478483 529175147 /nfs/dbraw/zinc/17/51/47/529175147.db2.gz MCSSQLYFKSFJBE-UHFFFAOYSA-N 0 3 247.313 3.313 20 0 BGADHN CCc1cccc(F)c1CNCCC(F)(F)F ZINC000474814823 529173277 /nfs/dbraw/zinc/17/32/77/529173277.db2.gz ZDDFMQVIGRSDKY-UHFFFAOYSA-N 0 3 249.251 3.430 20 0 BGADHN Cc1ccncc1CN[C@H]1C[C@@H]1C1CCCCC1 ZINC000474871752 534420736 /nfs/dbraw/zinc/42/07/36/534420736.db2.gz HCMRQSFIMNFNIO-CVEARBPZSA-N 0 3 244.382 3.448 20 0 BGADHN Cc1ccncc1CN[C@H]1C[C@H]1C1CCCCC1 ZINC000474871753 534421614 /nfs/dbraw/zinc/42/16/14/534421614.db2.gz HCMRQSFIMNFNIO-HOTGVXAUSA-N 0 3 244.382 3.448 20 0 BGADHN Cc1ccncc1CN[C@@H]1C[C@@H]1C1CCCCC1 ZINC000474871754 534420565 /nfs/dbraw/zinc/42/05/65/534420565.db2.gz HCMRQSFIMNFNIO-HZPDHXFCSA-N 0 3 244.382 3.448 20 0 BGADHN Cc1ccncc1CN[C@@H]1C[C@H]1C1CCCCC1 ZINC000474871755 534420502 /nfs/dbraw/zinc/42/05/02/534420502.db2.gz HCMRQSFIMNFNIO-JKSUJKDBSA-N 0 3 244.382 3.448 20 0 BGADHN Cc1cc(CN[C@H]2CCCC[C@@H]2C(C)C)nn1C ZINC000475131027 225129744 /nfs/dbraw/zinc/12/97/44/225129744.db2.gz PULDOWZTBZMAHF-CABCVRRESA-N 0 3 249.402 3.033 20 0 BGADHN Cc1cc(CN[C@H]2CCCC[C@H]2C(C)C)nn1C ZINC000475131035 225128503 /nfs/dbraw/zinc/12/85/03/225128503.db2.gz PULDOWZTBZMAHF-GJZGRUSLSA-N 0 3 249.402 3.033 20 0 BGADHN Cc1cc(CN[C@@H]2CCCC[C@@H]2C(C)C)nn1C ZINC000475131037 533718768 /nfs/dbraw/zinc/71/87/68/533718768.db2.gz PULDOWZTBZMAHF-HUUCEWRRSA-N 0 3 249.402 3.033 20 0 BGADHN Cc1cc(CN[C@@H]2CCCC[C@H]2C(C)C)nn1C ZINC000475131039 533719188 /nfs/dbraw/zinc/71/91/88/533719188.db2.gz PULDOWZTBZMAHF-LSDHHAIUSA-N 0 3 249.402 3.033 20 0 BGADHN Cc1cnc(CN[C@H]2CCCC[C@H]2C(C)C)nc1 ZINC000475156255 225129133 /nfs/dbraw/zinc/12/91/33/225129133.db2.gz LKVQHTLMNRPPCW-KBPBESRZSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1cnc(CN[C@H]2CCCC[C@@H]2C(C)C)nc1 ZINC000475156256 225128821 /nfs/dbraw/zinc/12/88/21/225128821.db2.gz LKVQHTLMNRPPCW-KGLIPLIRSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1cnc(CN[C@@H]2CCCC[C@H]2C(C)C)nc1 ZINC000475156257 225129736 /nfs/dbraw/zinc/12/97/36/225129736.db2.gz LKVQHTLMNRPPCW-UONOGXRCSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1cnc(CN[C@@H]2CCCC[C@@H]2C(C)C)nc1 ZINC000475156258 225129669 /nfs/dbraw/zinc/12/96/69/225129669.db2.gz LKVQHTLMNRPPCW-ZIAGYGMSSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1ccnc(CN[C@H]2CCCC[C@H]2C(C)C)n1 ZINC000475158966 225128549 /nfs/dbraw/zinc/12/85/49/225128549.db2.gz VQKKUYMQRAMWBN-KBPBESRZSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1ccnc(CN[C@H]2CCCC[C@@H]2C(C)C)n1 ZINC000475158967 225128866 /nfs/dbraw/zinc/12/88/66/225128866.db2.gz VQKKUYMQRAMWBN-KGLIPLIRSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1ccnc(CN[C@@H]2CCCC[C@H]2C(C)C)n1 ZINC000475158968 225129310 /nfs/dbraw/zinc/12/93/10/225129310.db2.gz VQKKUYMQRAMWBN-UONOGXRCSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1ccnc(CN[C@@H]2CCCC[C@@H]2C(C)C)n1 ZINC000475158969 225128718 /nfs/dbraw/zinc/12/87/18/225128718.db2.gz VQKKUYMQRAMWBN-ZIAGYGMSSA-N 0 3 247.386 3.089 20 0 BGADHN CSc1ccccc1CN(C)C[C@@H]1C[C@@H]1C ZINC000475297506 533039325 /nfs/dbraw/zinc/03/93/25/533039325.db2.gz XMVDJKNBDSQKGP-AAEUAGOBSA-N 0 3 235.396 3.496 20 0 BGADHN CSc1ccccc1CN(C)C[C@H]1C[C@H]1C ZINC000475297515 533040563 /nfs/dbraw/zinc/04/05/63/533040563.db2.gz XMVDJKNBDSQKGP-DGCLKSJQSA-N 0 3 235.396 3.496 20 0 BGADHN CSc1ccccc1CN(C)C[C@H]1C[C@@H]1C ZINC000475297517 533040461 /nfs/dbraw/zinc/04/04/61/533040461.db2.gz XMVDJKNBDSQKGP-WCQYABFASA-N 0 3 235.396 3.496 20 0 BGADHN CSc1ccccc1CN(C)C[C@@H]1C[C@H]1C ZINC000475297519 533040349 /nfs/dbraw/zinc/04/03/49/533040349.db2.gz XMVDJKNBDSQKGP-YPMHNXCESA-N 0 3 235.396 3.496 20 0 BGADHN CCCCCN1CCOC2(CCCCC2)C1 ZINC000475374864 528185681 /nfs/dbraw/zinc/18/56/81/528185681.db2.gz OEWRHFZKDOBWBH-UHFFFAOYSA-N 0 3 225.376 3.212 20 0 BGADHN CCOCCN(C)CC(C)(C)c1ccc(C)cc1 ZINC000475376041 528712926 /nfs/dbraw/zinc/71/29/26/528712926.db2.gz QUYCFYBODMXFCG-UHFFFAOYSA-N 0 3 249.398 3.241 20 0 BGADHN Cc1ccoc1CNCCCc1ccccc1F ZINC000475561423 225139162 /nfs/dbraw/zinc/13/91/62/225139162.db2.gz YXNCKUXYCBCAEB-UHFFFAOYSA-N 0 3 247.313 3.450 20 0 BGADHN C[C@@H](CN1CCOC(C)(C)[C@@H]1C)c1ccccc1 ZINC000476971194 533847474 /nfs/dbraw/zinc/84/74/74/533847474.db2.gz KAWRNVJVQPSKQE-KBPBESRZSA-N 0 3 247.382 3.289 20 0 BGADHN C[C@H](CN1CCOC(C)(C)[C@@H]1C)c1ccccc1 ZINC000476971195 225154295 /nfs/dbraw/zinc/15/42/95/225154295.db2.gz KAWRNVJVQPSKQE-KGLIPLIRSA-N 0 3 247.382 3.289 20 0 BGADHN C[C@@H](CN1CCOC(C)(C)[C@H]1C)c1ccccc1 ZINC000476971197 533846319 /nfs/dbraw/zinc/84/63/19/533846319.db2.gz KAWRNVJVQPSKQE-UONOGXRCSA-N 0 3 247.382 3.289 20 0 BGADHN C[C@H](CN1CCOC(C)(C)[C@H]1C)c1ccccc1 ZINC000476971198 225154629 /nfs/dbraw/zinc/15/46/29/225154629.db2.gz KAWRNVJVQPSKQE-ZIAGYGMSSA-N 0 3 247.382 3.289 20 0 BGADHN C[C@@H]1N(CCCc2ccccc2)CCOC1(C)C ZINC000476992453 225154031 /nfs/dbraw/zinc/15/40/31/225154031.db2.gz PMFZWAMBWLIFFP-AWEZNQCLSA-N 0 3 247.382 3.119 20 0 BGADHN C[C@H]1N(CCCc2ccccc2)CCOC1(C)C ZINC000476992454 225154431 /nfs/dbraw/zinc/15/44/31/225154431.db2.gz PMFZWAMBWLIFFP-CQSZACIVSA-N 0 3 247.382 3.119 20 0 BGADHN Cc1ccc(CCN2CCOC(C)(C)[C@@H]2C)cc1 ZINC000477686526 533786910 /nfs/dbraw/zinc/78/69/10/533786910.db2.gz BWRFPPPSDGWXGN-AWEZNQCLSA-N 0 3 247.382 3.037 20 0 BGADHN Cc1ccc(CCN2CCOC(C)(C)[C@H]2C)cc1 ZINC000477686527 533786371 /nfs/dbraw/zinc/78/63/71/533786371.db2.gz BWRFPPPSDGWXGN-CQSZACIVSA-N 0 3 247.382 3.037 20 0 BGADHN C(C1CCC1)N1CCOC2(C1)CCCCCC2 ZINC000477847018 527475611 /nfs/dbraw/zinc/47/56/11/527475611.db2.gz FGAOZNDWSMOQSS-UHFFFAOYSA-N 0 3 237.387 3.212 20 0 BGADHN CCCCN1CCOC2(C1)CCCCCC2 ZINC000477852846 528472844 /nfs/dbraw/zinc/47/28/44/528472844.db2.gz OAJMEMUUNYFZLE-UHFFFAOYSA-N 0 3 225.376 3.212 20 0 BGADHN C(CN1CCOC2(C1)CCCCCC2)C1CC1 ZINC000477870070 527481949 /nfs/dbraw/zinc/48/19/49/527481949.db2.gz ZGIOACAFTBDBRB-UHFFFAOYSA-N 0 3 237.387 3.212 20 0 BGADHN Cc1ccc(C)c(OCCN2CCC23CCC3)c1 ZINC000478016255 225164081 /nfs/dbraw/zinc/16/40/81/225164081.db2.gz LDXZJFKLUBKYHY-UHFFFAOYSA-N 0 3 245.366 3.311 20 0 BGADHN CCc1cccc(OCCN2CCC23CCC3)c1 ZINC000478040519 529543029 /nfs/dbraw/zinc/54/30/29/529543029.db2.gz JSSDCTFXKCYIFH-UHFFFAOYSA-N 0 3 245.366 3.256 20 0 BGADHN COC1(CNc2cc(C)cc(C)n2)CCCCC1 ZINC000478590235 533006187 /nfs/dbraw/zinc/00/61/87/533006187.db2.gz VRQWCIQVIIDAIV-UHFFFAOYSA-N 0 3 248.370 3.460 20 0 BGADHN CC(C)=CCN[C@H](c1ccc(F)cn1)C(C)C ZINC000479299676 527445031 /nfs/dbraw/zinc/44/50/31/527445031.db2.gz ZKVVDUXJLURQEQ-AWEZNQCLSA-N 0 3 236.334 3.474 20 0 BGADHN CC(C)=CCN[C@@H](c1ccc(F)cn1)C(C)C ZINC000479299680 527445420 /nfs/dbraw/zinc/44/54/20/527445420.db2.gz ZKVVDUXJLURQEQ-CQSZACIVSA-N 0 3 236.334 3.474 20 0 BGADHN CC(C)c1cccc(CNCC2=CCCOC2)c1 ZINC000479386845 528171023 /nfs/dbraw/zinc/17/10/23/528171023.db2.gz HWYDSKJRVORZIC-UHFFFAOYSA-N 0 3 245.366 3.246 20 0 BGADHN CCCc1cccc(CNCCOCC2CC2)c1 ZINC000479401121 528636257 /nfs/dbraw/zinc/63/62/57/528636257.db2.gz VKEONEJNSWIDKT-UHFFFAOYSA-N 0 3 247.382 3.155 20 0 BGADHN CC(C)c1cccc(CNCc2cccn2C)c1 ZINC000479409328 528170663 /nfs/dbraw/zinc/17/06/63/528170663.db2.gz JVROUJLHVSXVIZ-UHFFFAOYSA-N 0 3 242.366 3.438 20 0 BGADHN CCC[C@H](NC(C)C)C(=O)Nc1ccc(C)cc1 ZINC000479441645 528212425 /nfs/dbraw/zinc/21/24/25/528212425.db2.gz ORFCKTYJUYPUPJ-AWEZNQCLSA-N 0 3 248.370 3.100 20 0 BGADHN CCC[C@@H](NC(C)C)C(=O)Nc1ccc(C)cc1 ZINC000479441648 528997992 /nfs/dbraw/zinc/99/79/92/528997992.db2.gz ORFCKTYJUYPUPJ-CQSZACIVSA-N 0 3 248.370 3.100 20 0 BGADHN CCC[C@H](NC(C)C)C(=O)Nc1ccccc1C ZINC000479444027 528212798 /nfs/dbraw/zinc/21/27/98/528212798.db2.gz IBZKGZGAJIGOHR-AWEZNQCLSA-N 0 3 248.370 3.100 20 0 BGADHN CCC[C@@H](NC(C)C)C(=O)Nc1ccccc1C ZINC000479444028 528998176 /nfs/dbraw/zinc/99/81/76/528998176.db2.gz IBZKGZGAJIGOHR-CQSZACIVSA-N 0 3 248.370 3.100 20 0 BGADHN C[C@H](CNC/C=C/c1ccccc1)C(F)(F)F ZINC000479582685 225188546 /nfs/dbraw/zinc/18/85/46/225188546.db2.gz LKIRGRSZGORHJB-AYLMVEPYSA-N 0 3 243.272 3.488 20 0 BGADHN C[C@@H](CNC/C=C/c1ccccc1)C(F)(F)F ZINC000479582686 534054274 /nfs/dbraw/zinc/05/42/74/534054274.db2.gz LKIRGRSZGORHJB-BWNDKRECSA-N 0 3 243.272 3.488 20 0 BGADHN C[C@@H](CNC/C=C\c1ccccc1)C(F)(F)F ZINC000479583267 534055426 /nfs/dbraw/zinc/05/54/26/534055426.db2.gz LKIRGRSZGORHJB-OFSNVTPPSA-N 0 3 243.272 3.488 20 0 BGADHN C[C@H](CNC/C=C\c1ccccc1)C(F)(F)F ZINC000479583268 225187650 /nfs/dbraw/zinc/18/76/50/225187650.db2.gz LKIRGRSZGORHJB-UIJKISKDSA-N 0 3 243.272 3.488 20 0 BGADHN Cc1cc(CNC[C@@H](C)C(F)(F)F)ccc1F ZINC000479585994 225188455 /nfs/dbraw/zinc/18/84/55/225188455.db2.gz BGEWWQJOQDODKC-SECBINFHSA-N 0 3 249.251 3.422 20 0 BGADHN Cc1cc(CNC[C@H](C)C(F)(F)F)ccc1F ZINC000479585995 225188265 /nfs/dbraw/zinc/18/82/65/225188265.db2.gz BGEWWQJOQDODKC-VIFPVBQESA-N 0 3 249.251 3.422 20 0 BGADHN Cc1ccc(F)cc1CNC[C@@H](C)C(F)(F)F ZINC000479588126 225187894 /nfs/dbraw/zinc/18/78/94/225187894.db2.gz GNYUHCQEHMRLDX-SECBINFHSA-N 0 3 249.251 3.422 20 0 BGADHN Cc1ccc(F)cc1CNC[C@H](C)C(F)(F)F ZINC000479588127 225188672 /nfs/dbraw/zinc/18/86/72/225188672.db2.gz GNYUHCQEHMRLDX-VIFPVBQESA-N 0 3 249.251 3.422 20 0 BGADHN Cc1ccc(CNC[C@@H](C)C(F)(F)F)cc1F ZINC000479600261 534060887 /nfs/dbraw/zinc/06/08/87/534060887.db2.gz DAUQGNZQVALILF-SECBINFHSA-N 0 3 249.251 3.422 20 0 BGADHN Cc1ccc(CNC[C@H](C)C(F)(F)F)cc1F ZINC000479600262 534065892 /nfs/dbraw/zinc/06/58/92/534065892.db2.gz DAUQGNZQVALILF-VIFPVBQESA-N 0 3 249.251 3.422 20 0 BGADHN Cc1ccc(F)c(CNC[C@@H](C)C(F)(F)F)c1 ZINC000479605368 225189397 /nfs/dbraw/zinc/18/93/97/225189397.db2.gz ORVNGNYAMGJMOZ-SECBINFHSA-N 0 3 249.251 3.422 20 0 BGADHN Cc1ccc(F)c(CNC[C@H](C)C(F)(F)F)c1 ZINC000479605369 225189485 /nfs/dbraw/zinc/18/94/85/225189485.db2.gz ORVNGNYAMGJMOZ-VIFPVBQESA-N 0 3 249.251 3.422 20 0 BGADHN Cc1cc(F)ccc1CNC[C@@H](C)C(F)(F)F ZINC000479610946 225189868 /nfs/dbraw/zinc/18/98/68/225189868.db2.gz VTFYGAJQRLISDD-SECBINFHSA-N 0 3 249.251 3.422 20 0 BGADHN Cc1cc(F)ccc1CNC[C@H](C)C(F)(F)F ZINC000479610947 225188463 /nfs/dbraw/zinc/18/84/63/225188463.db2.gz VTFYGAJQRLISDD-VIFPVBQESA-N 0 3 249.251 3.422 20 0 BGADHN CC(C)=CCNCc1cc2c(cccc2F)[nH]1 ZINC000480279590 527442689 /nfs/dbraw/zinc/44/26/89/527442689.db2.gz CDYUWPCRCPYRPH-UHFFFAOYSA-N 0 3 232.302 3.363 20 0 BGADHN CC(C)=CCNCc1ccc(F)c2cccnc12 ZINC000480281524 527443434 /nfs/dbraw/zinc/44/34/34/527443434.db2.gz GBMJGPCEIZPLHM-UHFFFAOYSA-N 0 3 244.313 3.430 20 0 BGADHN COc1ccccc1/C=C\CNCC=C(C)C ZINC000480285489 533959669 /nfs/dbraw/zinc/95/96/69/533959669.db2.gz SUSYFKAMBWCQBR-VURMDHGXSA-N 0 3 231.339 3.264 20 0 BGADHN CC(C)=CCCNCc1c[nH]nc1C(C)(C)C ZINC000480304911 527406906 /nfs/dbraw/zinc/40/69/06/527406906.db2.gz CHAXWPSRIURFBQ-UHFFFAOYSA-N 0 3 235.375 3.153 20 0 BGADHN CC[C@H]1CN(CCCCc2ccccc2)CCO1 ZINC000480499503 529290754 /nfs/dbraw/zinc/29/07/54/529290754.db2.gz MARZPGKEPRVUQC-INIZCTEOSA-N 0 3 247.382 3.120 20 0 BGADHN CC[C@@H]1CN(CCCCc2ccccc2)CCO1 ZINC000480499505 529390469 /nfs/dbraw/zinc/39/04/69/529390469.db2.gz MARZPGKEPRVUQC-MRXNPFEDSA-N 0 3 247.382 3.120 20 0 BGADHN CC1(C)COCCN1CCCCc1ccccc1 ZINC000480504152 529131420 /nfs/dbraw/zinc/13/14/20/529131420.db2.gz GJDJZDYQTAEYOH-UHFFFAOYSA-N 0 3 247.382 3.120 20 0 BGADHN C[C@@H]1CN(CCCCc2ccccc2)C[C@H](C)O1 ZINC000480510979 534463744 /nfs/dbraw/zinc/46/37/44/534463744.db2.gz RVHLPZIYELEYPL-GASCZTMLSA-N 0 3 247.382 3.119 20 0 BGADHN C[C@H]1CN(CCCCc2ccccc2)C[C@H](C)O1 ZINC000480510980 533933454 /nfs/dbraw/zinc/93/34/54/533933454.db2.gz RVHLPZIYELEYPL-GJZGRUSLSA-N 0 3 247.382 3.119 20 0 BGADHN C[C@@H]1CN(CCCCc2ccccc2)C[C@@H](C)O1 ZINC000480510981 534463913 /nfs/dbraw/zinc/46/39/13/534463913.db2.gz RVHLPZIYELEYPL-HUUCEWRRSA-N 0 3 247.382 3.119 20 0 BGADHN CC1(C)CN(CCCCc2ccccc2)CCO1 ZINC000480517447 529117444 /nfs/dbraw/zinc/11/74/44/529117444.db2.gz ZKMDDPOZAQUNFM-UHFFFAOYSA-N 0 3 247.382 3.120 20 0 BGADHN Clc1cccc2c1CCN(CCC1CC1)C2 ZINC000480537668 225203122 /nfs/dbraw/zinc/20/31/22/225203122.db2.gz OJTVIDHCKKJZKJ-UHFFFAOYSA-N 0 3 235.758 3.498 20 0 BGADHN CC[C@H]1COCCN1CCCCc1ccccc1 ZINC000480557300 529308546 /nfs/dbraw/zinc/30/85/46/529308546.db2.gz RCLXCPDBMIVVSJ-INIZCTEOSA-N 0 3 247.382 3.120 20 0 BGADHN CC[C@@H]1COCCN1CCCCc1ccccc1 ZINC000480557302 529411306 /nfs/dbraw/zinc/41/13/06/529411306.db2.gz RCLXCPDBMIVVSJ-MRXNPFEDSA-N 0 3 247.382 3.120 20 0 BGADHN Cc1cccc(CCCN2CCOCC2(C)C)c1 ZINC000480646156 225203848 /nfs/dbraw/zinc/20/38/48/225203848.db2.gz AEAQHPPFUTYFEZ-UHFFFAOYSA-N 0 3 247.382 3.038 20 0 BGADHN Cc1cccc(CCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000480685408 225205557 /nfs/dbraw/zinc/20/55/57/225205557.db2.gz RAYYSTIUOMWGNE-GASCZTMLSA-N 0 3 247.382 3.037 20 0 BGADHN CCOC[C@@H](C)NCc1cccc(C(C)C)c1 ZINC000480696664 528884773 /nfs/dbraw/zinc/88/47/73/528884773.db2.gz YFCCRIIXSRQQEH-CYBMUJFWSA-N 0 3 235.371 3.325 20 0 BGADHN CCOC[C@H](C)NCc1cccc(C(C)C)c1 ZINC000480696665 528976354 /nfs/dbraw/zinc/97/63/54/528976354.db2.gz YFCCRIIXSRQQEH-ZDUSSCGKSA-N 0 3 235.371 3.325 20 0 BGADHN CC[C@H]1CN(CCCc2cccc(C)c2)CCO1 ZINC000480757169 529291899 /nfs/dbraw/zinc/29/18/99/529291899.db2.gz BXYXFFXIGMIGKR-INIZCTEOSA-N 0 3 247.382 3.038 20 0 BGADHN CC[C@@H]1CN(CCCc2cccc(C)c2)CCO1 ZINC000480757171 529391123 /nfs/dbraw/zinc/39/11/23/529391123.db2.gz BXYXFFXIGMIGKR-MRXNPFEDSA-N 0 3 247.382 3.038 20 0 BGADHN Cc1cccc(CCCN2C[C@H](C)OC[C@H]2C)c1 ZINC000480766379 225207217 /nfs/dbraw/zinc/20/72/17/225207217.db2.gz SGFGVXATDSBWFA-CABCVRRESA-N 0 3 247.382 3.037 20 0 BGADHN Cc1cccc(CCCN2C[C@H](C)OC[C@@H]2C)c1 ZINC000480766380 225207619 /nfs/dbraw/zinc/20/76/19/225207619.db2.gz SGFGVXATDSBWFA-GJZGRUSLSA-N 0 3 247.382 3.037 20 0 BGADHN Cc1cccc(CCCN2C[C@@H](C)OC[C@H]2C)c1 ZINC000480766381 225207138 /nfs/dbraw/zinc/20/71/38/225207138.db2.gz SGFGVXATDSBWFA-HUUCEWRRSA-N 0 3 247.382 3.037 20 0 BGADHN Cc1cccc(CCCN2C[C@@H](C)OC[C@@H]2C)c1 ZINC000480766383 225207496 /nfs/dbraw/zinc/20/74/96/225207496.db2.gz SGFGVXATDSBWFA-LSDHHAIUSA-N 0 3 247.382 3.037 20 0 BGADHN Cc1cccc(CCCN2CCOC(C)(C)C2)c1 ZINC000480779721 225207087 /nfs/dbraw/zinc/20/70/87/225207087.db2.gz LRGMZOGYPXUIAF-UHFFFAOYSA-N 0 3 247.382 3.038 20 0 BGADHN C[C@]1(F)CCN(CCCCc2ccccc2)C1 ZINC000480857268 225209408 /nfs/dbraw/zinc/20/94/08/225209408.db2.gz MXYIDNWRTVFDLV-HNNXBMFYSA-N 0 3 235.346 3.443 20 0 BGADHN C[C@@]1(F)CCN(CCCCc2ccccc2)C1 ZINC000480857269 225208923 /nfs/dbraw/zinc/20/89/23/225208923.db2.gz MXYIDNWRTVFDLV-OAHLLOKOSA-N 0 3 235.346 3.443 20 0 BGADHN C[C@H](c1nc2ccccc2o1)N1C[C@H](C)[C@H](C)C1 ZINC000481042940 225212462 /nfs/dbraw/zinc/21/24/62/225212462.db2.gz WLBWJWLEEMUCCA-GRYCIOLGSA-N 0 3 244.338 3.477 20 0 BGADHN C[C@H](c1nc2ccccc2o1)N1C[C@@H](C)[C@H](C)C1 ZINC000481042949 225212681 /nfs/dbraw/zinc/21/26/81/225212681.db2.gz WLBWJWLEEMUCCA-IJLUTSLNSA-N 0 3 244.338 3.477 20 0 BGADHN C[C@@H](c1nc2ccccc2o1)N1C[C@H](C)[C@H](C)C1 ZINC000481042951 225212077 /nfs/dbraw/zinc/21/20/77/225212077.db2.gz WLBWJWLEEMUCCA-TUAOUCFPSA-N 0 3 244.338 3.477 20 0 BGADHN C[C@@H](c1nc2ccccc2o1)N1C[C@@H](C)[C@H](C)C1 ZINC000481042952 225212517 /nfs/dbraw/zinc/21/25/17/225212517.db2.gz WLBWJWLEEMUCCA-UTUOFQBUSA-N 0 3 244.338 3.477 20 0 BGADHN Cc1cccc(CCCN2CCO[C@@H](C)[C@H]2C)c1 ZINC000481054812 225211698 /nfs/dbraw/zinc/21/16/98/225211698.db2.gz KPQXMNCNDJPHTE-CABCVRRESA-N 0 3 247.382 3.037 20 0 BGADHN Cc1cccc(CCCN2CCO[C@@H](C)[C@@H]2C)c1 ZINC000481054817 225212004 /nfs/dbraw/zinc/21/20/04/225212004.db2.gz KPQXMNCNDJPHTE-GJZGRUSLSA-N 0 3 247.382 3.037 20 0 BGADHN Cc1cccc(CCCN2CCO[C@H](C)[C@H]2C)c1 ZINC000481054820 225212711 /nfs/dbraw/zinc/21/27/11/225212711.db2.gz KPQXMNCNDJPHTE-HUUCEWRRSA-N 0 3 247.382 3.037 20 0 BGADHN Cc1cccc(CCCN2CCO[C@H](C)[C@@H]2C)c1 ZINC000481054824 225212701 /nfs/dbraw/zinc/21/27/01/225212701.db2.gz KPQXMNCNDJPHTE-LSDHHAIUSA-N 0 3 247.382 3.037 20 0 BGADHN Cc1cccc(CCCN2CC[C@](C)(F)C2)c1 ZINC000481095546 225212229 /nfs/dbraw/zinc/21/22/29/225212229.db2.gz SXFKXCYIXJXICB-HNNXBMFYSA-N 0 3 235.346 3.362 20 0 BGADHN Cc1cccc(CCCN2CC[C@@](C)(F)C2)c1 ZINC000481095548 225211852 /nfs/dbraw/zinc/21/18/52/225211852.db2.gz SXFKXCYIXJXICB-OAHLLOKOSA-N 0 3 235.346 3.362 20 0 BGADHN CC[C@H]1COCCN1CCCc1cccc(C)c1 ZINC000481113515 529308254 /nfs/dbraw/zinc/30/82/54/529308254.db2.gz TUXZGBIUQRYQJX-INIZCTEOSA-N 0 3 247.382 3.038 20 0 BGADHN CC[C@@H]1COCCN1CCCc1cccc(C)c1 ZINC000481113518 529411223 /nfs/dbraw/zinc/41/12/23/529411223.db2.gz TUXZGBIUQRYQJX-MRXNPFEDSA-N 0 3 247.382 3.038 20 0 BGADHN CC[C@H](c1ccccc1)N1CCO[C@H](C(C)C)C1 ZINC000481200057 529182513 /nfs/dbraw/zinc/18/25/13/529182513.db2.gz RAHOKOKWZAJXKR-CVEARBPZSA-N 0 3 247.382 3.495 20 0 BGADHN CC[C@@H](c1ccccc1)N1CCO[C@H](C(C)C)C1 ZINC000481200058 529257262 /nfs/dbraw/zinc/25/72/62/529257262.db2.gz RAHOKOKWZAJXKR-HOTGVXAUSA-N 0 3 247.382 3.495 20 0 BGADHN CC[C@H](c1ccccc1)N1CCO[C@@H](C(C)C)C1 ZINC000481200059 529182681 /nfs/dbraw/zinc/18/26/81/529182681.db2.gz RAHOKOKWZAJXKR-HZPDHXFCSA-N 0 3 247.382 3.495 20 0 BGADHN CC[C@@H](c1ccccc1)N1CCO[C@@H](C(C)C)C1 ZINC000481200060 529257233 /nfs/dbraw/zinc/25/72/33/529257233.db2.gz RAHOKOKWZAJXKR-JKSUJKDBSA-N 0 3 247.382 3.495 20 0 BGADHN CC(C)[C@H]1CN(C[C@@H](C)c2ccccc2)CCO1 ZINC000481386308 527854499 /nfs/dbraw/zinc/85/44/99/527854499.db2.gz YPTBESLYLGLLNL-GDBMZVCRSA-N 0 3 247.382 3.147 20 0 BGADHN CC(C)[C@H]1CN(C[C@H](C)c2ccccc2)CCO1 ZINC000481386309 527857512 /nfs/dbraw/zinc/85/75/12/527857512.db2.gz YPTBESLYLGLLNL-GOEBONIOSA-N 0 3 247.382 3.147 20 0 BGADHN CC(C)[C@@H]1CN(C[C@H](C)c2ccccc2)CCO1 ZINC000481386310 528749217 /nfs/dbraw/zinc/74/92/17/528749217.db2.gz YPTBESLYLGLLNL-HOCLYGCPSA-N 0 3 247.382 3.147 20 0 BGADHN CC(C)[C@@H]1CN(C[C@@H](C)c2ccccc2)CCO1 ZINC000481386311 528747830 /nfs/dbraw/zinc/74/78/30/528747830.db2.gz YPTBESLYLGLLNL-ZBFHGGJFSA-N 0 3 247.382 3.147 20 0 BGADHN Cc1cccc([C@@H](C)N2CCO[C@@H](C(C)C)C2)c1 ZINC000481463394 225214995 /nfs/dbraw/zinc/21/49/95/225214995.db2.gz YWSJGHKERKQAKB-GDBMZVCRSA-N 0 3 247.382 3.413 20 0 BGADHN Cc1cccc([C@H](C)N2CCO[C@@H](C(C)C)C2)c1 ZINC000481463430 225215330 /nfs/dbraw/zinc/21/53/30/225215330.db2.gz YWSJGHKERKQAKB-GOEBONIOSA-N 0 3 247.382 3.413 20 0 BGADHN Cc1cccc([C@H](C)N2CCO[C@H](C(C)C)C2)c1 ZINC000481463431 225215617 /nfs/dbraw/zinc/21/56/17/225215617.db2.gz YWSJGHKERKQAKB-HOCLYGCPSA-N 0 3 247.382 3.413 20 0 BGADHN Cc1cccc([C@@H](C)N2CCO[C@H](C(C)C)C2)c1 ZINC000481463432 225215686 /nfs/dbraw/zinc/21/56/86/225215686.db2.gz YWSJGHKERKQAKB-ZBFHGGJFSA-N 0 3 247.382 3.413 20 0 BGADHN Cc1ccccc1[C@@H](C)N1CCO[C@@H](C(C)C)C1 ZINC000481513015 362639754 /nfs/dbraw/zinc/63/97/54/362639754.db2.gz CQMHJSQPNDYETI-GDBMZVCRSA-N 0 3 247.382 3.413 20 0 BGADHN Cc1ccccc1[C@H](C)N1CCO[C@@H](C(C)C)C1 ZINC000481513016 362638779 /nfs/dbraw/zinc/63/87/79/362638779.db2.gz CQMHJSQPNDYETI-GOEBONIOSA-N 0 3 247.382 3.413 20 0 BGADHN Cc1ccccc1[C@H](C)N1CCO[C@H](C(C)C)C1 ZINC000481513017 362638904 /nfs/dbraw/zinc/63/89/04/362638904.db2.gz CQMHJSQPNDYETI-HOCLYGCPSA-N 0 3 247.382 3.413 20 0 BGADHN Cc1ccccc1[C@@H](C)N1CCO[C@H](C(C)C)C1 ZINC000481513018 362638816 /nfs/dbraw/zinc/63/88/16/362638816.db2.gz CQMHJSQPNDYETI-ZBFHGGJFSA-N 0 3 247.382 3.413 20 0 BGADHN CCCCOCCN[C@H]1CCc2c1cccc2C ZINC000481962884 528612034 /nfs/dbraw/zinc/61/20/34/528612034.db2.gz QPOPFHGGIYPEIG-INIZCTEOSA-N 0 3 247.382 3.389 20 0 BGADHN CCCCOCCN[C@@H]1CCc2c1cccc2C ZINC000481962887 528611179 /nfs/dbraw/zinc/61/11/79/528611179.db2.gz QPOPFHGGIYPEIG-MRXNPFEDSA-N 0 3 247.382 3.389 20 0 BGADHN CCCc1cccc(CN(C)CCSC)c1 ZINC000481983722 528632636 /nfs/dbraw/zinc/63/26/36/528632636.db2.gz SFVHGJZDBZWRJN-UHFFFAOYSA-N 0 3 237.412 3.434 20 0 BGADHN C[C@@H](Cc1ccccc1)CN1CC[C@@](C)(F)C1 ZINC000481998699 534247568 /nfs/dbraw/zinc/24/75/68/534247568.db2.gz LHKIZIZRRVTMCX-DZGCQCFKSA-N 0 3 235.346 3.299 20 0 BGADHN C[C@H](Cc1ccccc1)CN1CC[C@](C)(F)C1 ZINC000481998700 225221464 /nfs/dbraw/zinc/22/14/64/225221464.db2.gz LHKIZIZRRVTMCX-HIFRSBDPSA-N 0 3 235.346 3.299 20 0 BGADHN C[C@H](Cc1ccccc1)CN1CC[C@@](C)(F)C1 ZINC000481998701 225221179 /nfs/dbraw/zinc/22/11/79/225221179.db2.gz LHKIZIZRRVTMCX-UKRRQHHQSA-N 0 3 235.346 3.299 20 0 BGADHN C[C@@H](Cc1ccccc1)CN1CC[C@](C)(F)C1 ZINC000481998702 534247496 /nfs/dbraw/zinc/24/74/96/534247496.db2.gz LHKIZIZRRVTMCX-ZFWWWQNUSA-N 0 3 235.346 3.299 20 0 BGADHN CCCc1cccc(CN2CCOC[C@@H](C)C2)c1 ZINC000482012041 528634062 /nfs/dbraw/zinc/63/40/62/528634062.db2.gz YNXLLIUHBRSFPQ-AWEZNQCLSA-N 0 3 247.382 3.107 20 0 BGADHN CCCc1cccc(CN2CCOC[C@H](C)C2)c1 ZINC000482012044 528633910 /nfs/dbraw/zinc/63/39/10/528633910.db2.gz YNXLLIUHBRSFPQ-CQSZACIVSA-N 0 3 247.382 3.107 20 0 BGADHN CC(C)=CCC[C@H](C)CCNCc1ccn(C)n1 ZINC000482255804 527420081 /nfs/dbraw/zinc/42/00/81/527420081.db2.gz LJMQTWOLRCJUAQ-AWEZNQCLSA-N 0 3 249.402 3.282 20 0 BGADHN CC(C)=CCC[C@@H](C)CCNCc1ccn(C)n1 ZINC000482255805 527410487 /nfs/dbraw/zinc/41/04/87/527410487.db2.gz LJMQTWOLRCJUAQ-CQSZACIVSA-N 0 3 249.402 3.282 20 0 BGADHN CC1=C(C)CN(Cc2ccccc2F)CC1 ZINC000482445440 528090938 /nfs/dbraw/zinc/09/09/38/528090938.db2.gz BGUNRBPJCQDVDQ-UHFFFAOYSA-N 0 3 219.303 3.368 20 0 BGADHN CC1=C(C)CN(Cc2cccc(F)c2)CC1 ZINC000482447775 528091273 /nfs/dbraw/zinc/09/12/73/528091273.db2.gz FJHQJAVZFRECEH-UHFFFAOYSA-N 0 3 219.303 3.368 20 0 BGADHN CC1=C(C)CN(CCc2ccccc2F)CC1 ZINC000482452234 528091212 /nfs/dbraw/zinc/09/12/12/528091212.db2.gz ANAJMPGHZXYXLY-UHFFFAOYSA-N 0 3 233.330 3.410 20 0 BGADHN CCc1ccc(CN2CCC(C)=C(C)C2)o1 ZINC000482453663 529639630 /nfs/dbraw/zinc/63/96/30/529639630.db2.gz COJVGCAXMGFUJB-UHFFFAOYSA-N 0 3 219.328 3.384 20 0 BGADHN COc1ccc(CN2CCC(C)=C(C)C2)cc1 ZINC000482457521 533553548 /nfs/dbraw/zinc/55/35/48/533553548.db2.gz KDCGEIFHGDXLQH-UHFFFAOYSA-N 0 3 231.339 3.237 20 0 BGADHN CC1=C(C)CN(Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000482458222 528090243 /nfs/dbraw/zinc/09/02/43/528090243.db2.gz SLKOIIMSGXWLDY-UHFFFAOYSA-N 0 3 247.386 3.249 20 0 BGADHN CC1=C(C)CN(Cc2ccccc2N(C)C)CC1 ZINC000482461520 528090478 /nfs/dbraw/zinc/09/04/78/528090478.db2.gz SWLOVGDIDWJLNB-UHFFFAOYSA-N 0 3 244.382 3.295 20 0 BGADHN COc1cccc(CN2CCC(C)=C(C)C2)c1 ZINC000482461755 533475002 /nfs/dbraw/zinc/47/50/02/533475002.db2.gz TXYKPVQCTZJQEG-UHFFFAOYSA-N 0 3 231.339 3.237 20 0 BGADHN CC1=C(C)CN(Cc2ccc(F)cc2)CC1 ZINC000482461816 528090843 /nfs/dbraw/zinc/09/08/43/528090843.db2.gz UNYDDYOLUIRQCE-UHFFFAOYSA-N 0 3 219.303 3.368 20 0 BGADHN CC1=C(C)CN(Cc2ccc3c(c2)CCO3)CC1 ZINC000482463372 528090203 /nfs/dbraw/zinc/09/02/03/528090203.db2.gz ZAGSSQDPOWAFRV-UHFFFAOYSA-N 0 3 243.350 3.164 20 0 BGADHN CC[C@@]1(C)COCCN1Cc1cccc(C)c1C ZINC000482530819 529534254 /nfs/dbraw/zinc/53/42/54/529534254.db2.gz ZGPYSBSWUFHSJT-INIZCTEOSA-N 0 3 247.382 3.304 20 0 BGADHN CC[C@]1(C)COCCN1Cc1cccc(C)c1C ZINC000482530824 529409156 /nfs/dbraw/zinc/40/91/56/529409156.db2.gz ZGPYSBSWUFHSJT-MRXNPFEDSA-N 0 3 247.382 3.304 20 0 BGADHN CC[C@@]1(C)COCCN1Cc1ccc(C)cc1C ZINC000482542180 529534303 /nfs/dbraw/zinc/53/43/03/529534303.db2.gz YHPZQYFGJQRWQO-INIZCTEOSA-N 0 3 247.382 3.304 20 0 BGADHN CC[C@]1(C)COCCN1Cc1ccc(C)cc1C ZINC000482542181 529408859 /nfs/dbraw/zinc/40/88/59/529408859.db2.gz YHPZQYFGJQRWQO-MRXNPFEDSA-N 0 3 247.382 3.304 20 0 BGADHN COc1cc(Cl)ccc1CN(C)CC(C)C ZINC000482680442 533958009 /nfs/dbraw/zinc/95/80/09/533958009.db2.gz GECFDZHXUCOFBT-UHFFFAOYSA-N 0 3 241.762 3.436 20 0 BGADHN Cc1ccccc1CCCN1CCOCC1(C)C ZINC000482950698 225234081 /nfs/dbraw/zinc/23/40/81/225234081.db2.gz QVDQHUDJIPYDKX-UHFFFAOYSA-N 0 3 247.382 3.038 20 0 BGADHN CC[C@H]1CN(CCC2CCCCC2)CCO1 ZINC000483152420 529291162 /nfs/dbraw/zinc/29/11/62/529291162.db2.gz IDCKSFMLVJJANS-AWEZNQCLSA-N 0 3 225.376 3.068 20 0 BGADHN CC[C@@H]1CN(CCC2CCCCC2)CCO1 ZINC000483152421 529390434 /nfs/dbraw/zinc/39/04/34/529390434.db2.gz IDCKSFMLVJJANS-CQSZACIVSA-N 0 3 225.376 3.068 20 0 BGADHN C[C@@H]1CN(CCC2CCCCC2)[C@H](C)CO1 ZINC000483177408 225235954 /nfs/dbraw/zinc/23/59/54/225235954.db2.gz FDHNCXWRUFORHD-CHWSQXEVSA-N 0 3 225.376 3.066 20 0 BGADHN C[C@@H]1CO[C@@H](C)CN1CCC1CCCCC1 ZINC000483177409 225235892 /nfs/dbraw/zinc/23/58/92/225235892.db2.gz FDHNCXWRUFORHD-OLZOCXBDSA-N 0 3 225.376 3.066 20 0 BGADHN C[C@@H]1CN(CCC2CCCCC2)[C@@H](C)CO1 ZINC000483177412 225235996 /nfs/dbraw/zinc/23/59/96/225235996.db2.gz FDHNCXWRUFORHD-QWHCGFSZSA-N 0 3 225.376 3.066 20 0 BGADHN C[C@H]1CN(CCC2CCCCC2)[C@@H](C)CO1 ZINC000483177413 533925824 /nfs/dbraw/zinc/92/58/24/533925824.db2.gz FDHNCXWRUFORHD-STQMWFEESA-N 0 3 225.376 3.066 20 0 BGADHN CC(C)CCN1CCOC2(CCCCC2)C1 ZINC000483230725 527727893 /nfs/dbraw/zinc/72/78/93/527727893.db2.gz PRZPUETVXLKZPV-UHFFFAOYSA-N 0 3 225.376 3.068 20 0 BGADHN c1cc(OCC2CC2)ccc1CN1CCCCC1 ZINC000483255347 225237154 /nfs/dbraw/zinc/23/71/54/225237154.db2.gz PHTSPCNDJAMQKD-UHFFFAOYSA-N 0 3 245.366 3.461 20 0 BGADHN C(CN1CCO[C@H]2CCC[C@@H]21)C1CCCCC1 ZINC000483259674 527483265 /nfs/dbraw/zinc/48/32/65/527483265.db2.gz XPAOIDCXVQHRKT-GJZGRUSLSA-N 0 3 237.387 3.210 20 0 BGADHN C(CN1CCO[C@@H]2CCC[C@H]21)C1CCCCC1 ZINC000483259675 527483057 /nfs/dbraw/zinc/48/30/57/527483057.db2.gz XPAOIDCXVQHRKT-HUUCEWRRSA-N 0 3 237.387 3.210 20 0 BGADHN C(CN1CCO[C@@H]2CCC[C@@H]21)C1CCCCC1 ZINC000483259677 527481439 /nfs/dbraw/zinc/48/14/39/527481439.db2.gz XPAOIDCXVQHRKT-LSDHHAIUSA-N 0 3 237.387 3.210 20 0 BGADHN C(CN1CCOCC12CCC2)C1CCCCC1 ZINC000483260404 527481883 /nfs/dbraw/zinc/48/18/83/527481883.db2.gz ZUPJOJPQKCNUFK-UHFFFAOYSA-N 0 3 237.387 3.212 20 0 BGADHN C[C@H]1OCCN(CCC2CCCCC2)[C@@H]1C ZINC000483267142 225237406 /nfs/dbraw/zinc/23/74/06/225237406.db2.gz BFNWHAIFZZQYDY-CHWSQXEVSA-N 0 3 225.376 3.066 20 0 BGADHN C[C@@H]1[C@H](C)OCCN1CCC1CCCCC1 ZINC000483267143 225238504 /nfs/dbraw/zinc/23/85/04/225238504.db2.gz BFNWHAIFZZQYDY-OLZOCXBDSA-N 0 3 225.376 3.066 20 0 BGADHN C[C@H]1OCCN(CCC2CCCCC2)[C@H]1C ZINC000483267144 225237828 /nfs/dbraw/zinc/23/78/28/225237828.db2.gz BFNWHAIFZZQYDY-QWHCGFSZSA-N 0 3 225.376 3.066 20 0 BGADHN C[C@@H]1OCCN(CCC2CCCCC2)[C@H]1C ZINC000483267145 534166285 /nfs/dbraw/zinc/16/62/85/534166285.db2.gz BFNWHAIFZZQYDY-STQMWFEESA-N 0 3 225.376 3.066 20 0 BGADHN CCCOc1ccc(C(C)(C)NCCF)cc1 ZINC000483272032 528656032 /nfs/dbraw/zinc/65/60/32/528656032.db2.gz UKNNFPOFEDQXOF-UHFFFAOYSA-N 0 3 239.334 3.270 20 0 BGADHN CC[C@H]1COCCN1CCC1CCCCC1 ZINC000483283897 529308323 /nfs/dbraw/zinc/30/83/23/529308323.db2.gz JJOAGMLLKXYMOS-AWEZNQCLSA-N 0 3 225.376 3.068 20 0 BGADHN CC[C@@H]1COCCN1CCC1CCCCC1 ZINC000483283898 529411356 /nfs/dbraw/zinc/41/13/56/529411356.db2.gz JJOAGMLLKXYMOS-CQSZACIVSA-N 0 3 225.376 3.068 20 0 BGADHN CC1(C)CN(CCC2CCCCC2)CCO1 ZINC000483283919 529116130 /nfs/dbraw/zinc/11/61/30/529116130.db2.gz JRDBSAYTSIOOPO-UHFFFAOYSA-N 0 3 225.376 3.068 20 0 BGADHN c1[nH]nc2c1CCC[C@@H]2NCCC1CCCCC1 ZINC000483305607 534462167 /nfs/dbraw/zinc/46/21/67/534462167.db2.gz IIOHNALBODCYHB-AWEZNQCLSA-N 0 3 247.386 3.347 20 0 BGADHN c1[nH]nc2c1CCC[C@H]2NCCC1CCCCC1 ZINC000483305608 534461957 /nfs/dbraw/zinc/46/19/57/534461957.db2.gz IIOHNALBODCYHB-CQSZACIVSA-N 0 3 247.386 3.347 20 0 BGADHN CC1=C(C)CN(CCC(=O)c2ccccc2)CC1 ZINC000483331900 528090434 /nfs/dbraw/zinc/09/04/34/528090434.db2.gz ATJBJNHJYUZHRK-UHFFFAOYSA-N 0 3 243.350 3.302 20 0 BGADHN CC1=C(C)CN(CCOc2ccccc2)CC1 ZINC000483334009 528090599 /nfs/dbraw/zinc/09/05/99/528090599.db2.gz CQFMUJAFJKEYIS-UHFFFAOYSA-N 0 3 231.339 3.108 20 0 BGADHN CC1=C(C)CN(CCOc2ccc(F)cc2)CC1 ZINC000483338632 528089855 /nfs/dbraw/zinc/08/98/55/528089855.db2.gz QFVMUQAMWGNOGX-UHFFFAOYSA-N 0 3 249.329 3.247 20 0 BGADHN C(CN1CCO[C@H](C2CC2)C1)C1CCCCC1 ZINC000483339305 527482704 /nfs/dbraw/zinc/48/27/04/527482704.db2.gz JWHGPFSEQRDFRR-HNNXBMFYSA-N 0 3 237.387 3.068 20 0 BGADHN C(CN1CCO[C@@H](C2CC2)C1)C1CCCCC1 ZINC000483339306 527482680 /nfs/dbraw/zinc/48/26/80/527482680.db2.gz JWHGPFSEQRDFRR-OAHLLOKOSA-N 0 3 237.387 3.068 20 0 BGADHN CC1=C(C)CN(CCOc2cccc(F)c2)CC1 ZINC000483351565 528090463 /nfs/dbraw/zinc/09/04/63/528090463.db2.gz IKHLFBTVALVJJI-UHFFFAOYSA-N 0 3 249.329 3.247 20 0 BGADHN CC1=C(C)CN(CCOCCC(C)C)CC1 ZINC000483375644 528090524 /nfs/dbraw/zinc/09/05/24/528090524.db2.gz ZLFKYPBZXLTJBR-UHFFFAOYSA-N 0 3 225.376 3.091 20 0 BGADHN CC1=C(C)CN(CCOc2ccccc2F)CC1 ZINC000483381051 528090891 /nfs/dbraw/zinc/09/08/91/528090891.db2.gz QCUKOWOYAWWYMF-UHFFFAOYSA-N 0 3 249.329 3.247 20 0 BGADHN C(CN1CCOC2(CCCC2)C1)C1CCCC1 ZINC000483468738 527483011 /nfs/dbraw/zinc/48/30/11/527483011.db2.gz CETXFPRTUOACKB-UHFFFAOYSA-N 0 3 237.387 3.212 20 0 BGADHN Cc1ccccc1CCCN1CCO[C@@H](C)[C@H]1C ZINC000483510799 225243685 /nfs/dbraw/zinc/24/36/85/225243685.db2.gz QLXAQTVQEWDVDC-CABCVRRESA-N 0 3 247.382 3.037 20 0 BGADHN Cc1ccccc1CCCN1CCO[C@@H](C)[C@@H]1C ZINC000483510800 225244322 /nfs/dbraw/zinc/24/43/22/225244322.db2.gz QLXAQTVQEWDVDC-GJZGRUSLSA-N 0 3 247.382 3.037 20 0 BGADHN Cc1ccccc1CCCN1CCO[C@H](C)[C@H]1C ZINC000483510801 225244422 /nfs/dbraw/zinc/24/44/22/225244422.db2.gz QLXAQTVQEWDVDC-HUUCEWRRSA-N 0 3 247.382 3.037 20 0 BGADHN Cc1ccccc1CCCN1CCO[C@H](C)[C@@H]1C ZINC000483510802 225243568 /nfs/dbraw/zinc/24/35/68/225243568.db2.gz QLXAQTVQEWDVDC-LSDHHAIUSA-N 0 3 247.382 3.037 20 0 BGADHN CCCCN(CC)[C@H](CC)C(=O)OC(C)(C)C ZINC000483524724 528396647 /nfs/dbraw/zinc/39/66/47/528396647.db2.gz DKNAINVYPKYTFT-GFCCVEGCSA-N 0 3 243.391 3.229 20 0 BGADHN CCCCN(CC)[C@@H](CC)C(=O)OC(C)(C)C ZINC000483524725 528396786 /nfs/dbraw/zinc/39/67/86/528396786.db2.gz DKNAINVYPKYTFT-LBPRGKRZSA-N 0 3 243.391 3.229 20 0 BGADHN CC[C@H](C(=O)OC(C)(C)C)N(CC)CC(C)C ZINC000483545131 529624242 /nfs/dbraw/zinc/62/42/42/529624242.db2.gz SFQKJOJCGLQUJC-GFCCVEGCSA-N 0 3 243.391 3.085 20 0 BGADHN CC[C@@H](C(=O)OC(C)(C)C)N(CC)CC(C)C ZINC000483545132 529294947 /nfs/dbraw/zinc/29/49/47/529294947.db2.gz SFQKJOJCGLQUJC-LBPRGKRZSA-N 0 3 243.391 3.085 20 0 BGADHN COc1ccc(Cl)c(CN(C)CC(C)C)c1 ZINC000483574463 533818427 /nfs/dbraw/zinc/81/84/27/533818427.db2.gz BJRXWKVCVMKUCY-UHFFFAOYSA-N 0 3 241.762 3.436 20 0 BGADHN CC(C)CN1CCc2cc(Cl)ccc2C1 ZINC000483665971 528026713 /nfs/dbraw/zinc/02/67/13/528026713.db2.gz XQQZTPROFGESPF-UHFFFAOYSA-N 0 3 223.747 3.354 20 0 BGADHN Cc1ccc2nc(CN[C@H](C)C(C)(C)C)[nH]c2c1 ZINC000483875376 534504729 /nfs/dbraw/zinc/50/47/29/534504729.db2.gz YUGKAYYGOQKOIR-LLVKDONJSA-N 0 3 245.370 3.396 20 0 BGADHN Cc1ccc2[nH]c(CN[C@H](C)C(C)(C)C)nc2c1 ZINC000483875376 534504722 /nfs/dbraw/zinc/50/47/22/534504722.db2.gz YUGKAYYGOQKOIR-LLVKDONJSA-N 0 3 245.370 3.396 20 0 BGADHN Cc1ccc2nc(CN[C@@H](C)C(C)(C)C)[nH]c2c1 ZINC000483875377 534504250 /nfs/dbraw/zinc/50/42/50/534504250.db2.gz YUGKAYYGOQKOIR-NSHDSACASA-N 0 3 245.370 3.396 20 0 BGADHN Cc1ccc2[nH]c(CN[C@@H](C)C(C)(C)C)nc2c1 ZINC000483875377 534504244 /nfs/dbraw/zinc/50/42/44/534504244.db2.gz YUGKAYYGOQKOIR-NSHDSACASA-N 0 3 245.370 3.396 20 0 BGADHN CC[C@@H](C)CN(C)[C@@H](CC)C(=O)OC(C)(C)C ZINC000483936375 529314416 /nfs/dbraw/zinc/31/44/16/529314416.db2.gz ZOSYCLINSHTTFW-NEPJUHHUSA-N 0 3 243.391 3.085 20 0 BGADHN CC[C@H](C(=O)OC(C)(C)C)N(C)C[C@@H](C)CC ZINC000483936376 529624687 /nfs/dbraw/zinc/62/46/87/529624687.db2.gz ZOSYCLINSHTTFW-NWDGAFQWSA-N 0 3 243.391 3.085 20 0 BGADHN CC[C@H](C)CN(C)[C@@H](CC)C(=O)OC(C)(C)C ZINC000483936377 529652068 /nfs/dbraw/zinc/65/20/68/529652068.db2.gz ZOSYCLINSHTTFW-RYUDHWBXSA-N 0 3 243.391 3.085 20 0 BGADHN CC[C@@H](C)CN(C)[C@H](CC)C(=O)OC(C)(C)C ZINC000483936378 529314543 /nfs/dbraw/zinc/31/45/43/529314543.db2.gz ZOSYCLINSHTTFW-VXGBXAGGSA-N 0 3 243.391 3.085 20 0 BGADHN CCCCCN1CCOC[C@H]1Cc1ccccc1 ZINC000483970077 528186870 /nfs/dbraw/zinc/18/68/70/528186870.db2.gz GKSKZVNIOHAMCK-MRXNPFEDSA-N 0 3 247.382 3.120 20 0 BGADHN Cc1ccc2c(c1)CCN([C@H]1C=CCCC1)C2 ZINC000483975063 225247390 /nfs/dbraw/zinc/24/73/90/225247390.db2.gz KRAHKTJHVNGFJI-INIZCTEOSA-N 0 3 227.351 3.462 20 0 BGADHN Cc1ccc2c(c1)CCN([C@@H]1C=CCCC1)C2 ZINC000483975065 225248468 /nfs/dbraw/zinc/24/84/68/225248468.db2.gz KRAHKTJHVNGFJI-MRXNPFEDSA-N 0 3 227.351 3.462 20 0 BGADHN CCCCN1CCc2cc(Cl)ccc2C1 ZINC000483986507 528486815 /nfs/dbraw/zinc/48/68/15/528486815.db2.gz MQEQPVHJAGAPRW-UHFFFAOYSA-N 0 3 223.747 3.498 20 0 BGADHN Clc1ccc2c(c1)CCN(CCC1CC1)C2 ZINC000483991193 225248787 /nfs/dbraw/zinc/24/87/87/225248787.db2.gz YSZHWLAZBDQTNS-UHFFFAOYSA-N 0 3 235.758 3.498 20 0 BGADHN CCCCOCCN1CCc2cc(C)ccc2C1 ZINC000484031456 528591293 /nfs/dbraw/zinc/59/12/93/528591293.db2.gz NQYMJSPPDVGCOU-UHFFFAOYSA-N 0 3 247.382 3.170 20 0 BGADHN CC(C)N1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000484348545 529058371 /nfs/dbraw/zinc/05/83/71/529058371.db2.gz WVYXTQVSDACTLB-SECBINFHSA-N 0 3 223.282 3.305 20 0 BGADHN CC(C)N1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000484348550 529072148 /nfs/dbraw/zinc/07/21/48/529072148.db2.gz WVYXTQVSDACTLB-VIFPVBQESA-N 0 3 223.282 3.305 20 0 BGADHN CCCCOCCN1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000484966483 528590629 /nfs/dbraw/zinc/59/06/29/528590629.db2.gz ZWDNPBXMYQCHQJ-GDBMZVCRSA-N 0 3 247.382 3.496 20 0 BGADHN CCCCOCCN1C[C@H](C)[C@@H]1c1ccccc1 ZINC000484966484 528590547 /nfs/dbraw/zinc/59/05/47/528590547.db2.gz ZWDNPBXMYQCHQJ-GOEBONIOSA-N 0 3 247.382 3.496 20 0 BGADHN CCCCOCCN1C[C@H](C)[C@H]1c1ccccc1 ZINC000484966486 528591240 /nfs/dbraw/zinc/59/12/40/528591240.db2.gz ZWDNPBXMYQCHQJ-HOCLYGCPSA-N 0 3 247.382 3.496 20 0 BGADHN CCCCOCCN1C[C@@H](C)[C@H]1c1ccccc1 ZINC000484966487 528590878 /nfs/dbraw/zinc/59/08/78/528590878.db2.gz ZWDNPBXMYQCHQJ-ZBFHGGJFSA-N 0 3 247.382 3.496 20 0 BGADHN CC(C)CN1CC(Cc2ccccc2Cl)C1 ZINC000485289760 527958518 /nfs/dbraw/zinc/95/85/18/527958518.db2.gz IYFVQCDVFGWTDU-UHFFFAOYSA-N 0 3 237.774 3.470 20 0 BGADHN Clc1ccccc1CC1CN(CC2CC2)C1 ZINC000485304470 225252465 /nfs/dbraw/zinc/25/24/65/225252465.db2.gz PIEHCGPXDADNNA-UHFFFAOYSA-N 0 3 235.758 3.224 20 0 BGADHN Cc1cccc(CN2CC3(C2)CCCC3)c1 ZINC000485309722 225252415 /nfs/dbraw/zinc/25/24/15/225252415.db2.gz RUFVHTCJYKDLGC-UHFFFAOYSA-N 0 3 215.340 3.371 20 0 BGADHN CCOc1ccc(CN2CC3(C2)CCCC3)cc1 ZINC000485310612 528432461 /nfs/dbraw/zinc/43/24/61/528432461.db2.gz VDNGHUHRTAXGOR-UHFFFAOYSA-N 0 3 245.366 3.461 20 0 BGADHN Cc1ccc(CN2CC3(C2)CCCC3)cc1 ZINC000485325337 533912834 /nfs/dbraw/zinc/91/28/34/533912834.db2.gz UDAMQRJGOYTXQE-UHFFFAOYSA-N 0 3 215.340 3.371 20 0 BGADHN COc1cc(CN2CC3(C2)CCCC3)ccc1C ZINC000485328559 533799171 /nfs/dbraw/zinc/79/91/71/533799171.db2.gz HJWGVOSLTMFTRX-UHFFFAOYSA-N 0 3 245.366 3.380 20 0 BGADHN C(C1CCCCCC1)N1CCO[C@H](C2CC2)C1 ZINC000485687048 527474640 /nfs/dbraw/zinc/47/46/40/527474640.db2.gz VGPLUJSCSXRPFQ-HNNXBMFYSA-N 0 3 237.387 3.068 20 0 BGADHN C(C1CCCCCC1)N1CCO[C@@H](C2CC2)C1 ZINC000485687049 527475162 /nfs/dbraw/zinc/47/51/62/527475162.db2.gz VGPLUJSCSXRPFQ-OAHLLOKOSA-N 0 3 237.387 3.068 20 0 BGADHN CC[C@H](c1ccccc1)N1CCO[C@H](C2CC2)C1 ZINC000485799711 529182658 /nfs/dbraw/zinc/18/26/58/529182658.db2.gz DPWMPIUNTYMICD-CVEARBPZSA-N 0 3 245.366 3.249 20 0 BGADHN CC[C@@H](c1ccccc1)N1CCO[C@H](C2CC2)C1 ZINC000485799712 529256939 /nfs/dbraw/zinc/25/69/39/529256939.db2.gz DPWMPIUNTYMICD-HOTGVXAUSA-N 0 3 245.366 3.249 20 0 BGADHN CC[C@H](c1ccccc1)N1CCO[C@@H](C2CC2)C1 ZINC000485799713 529182522 /nfs/dbraw/zinc/18/25/22/529182522.db2.gz DPWMPIUNTYMICD-HZPDHXFCSA-N 0 3 245.366 3.249 20 0 BGADHN CC[C@@H](c1ccccc1)N1CCO[C@@H](C2CC2)C1 ZINC000485799714 529257342 /nfs/dbraw/zinc/25/73/42/529257342.db2.gz DPWMPIUNTYMICD-JKSUJKDBSA-N 0 3 245.366 3.249 20 0 BGADHN CC(C)=CCNCc1cc2ccc(F)cc2[nH]1 ZINC000486694707 527443501 /nfs/dbraw/zinc/44/35/01/527443501.db2.gz DIKSYYJBPYRTGM-UHFFFAOYSA-N 0 3 232.302 3.363 20 0 BGADHN CCCCN(CCCC)Cc1cc(C)n(C)n1 ZINC000486803265 528404955 /nfs/dbraw/zinc/40/49/55/528404955.db2.gz QOWOYBNQYULJKT-UHFFFAOYSA-N 0 3 237.391 3.131 20 0 BGADHN CC(C)C1CC(NCc2cc(F)cc(F)c2)C1 ZINC000486881768 527627066 /nfs/dbraw/zinc/62/70/66/527627066.db2.gz QIJFNSJFRVBENC-UHFFFAOYSA-N 0 3 239.309 3.489 20 0 BGADHN Cc1ccccc1CNC/C=C/c1ccncc1 ZINC000486933672 225273681 /nfs/dbraw/zinc/27/36/81/225273681.db2.gz AAZCUFZSDGCBBJ-GQCTYLIASA-N 0 3 238.334 3.193 20 0 BGADHN Cc1ccccc1CNC/C=C\c1ccncc1 ZINC000486933673 225273617 /nfs/dbraw/zinc/27/36/17/225273617.db2.gz AAZCUFZSDGCBBJ-XQRVVYSFSA-N 0 3 238.334 3.193 20 0 BGADHN Cc1ccc(CNC/C=C\c2ccncc2)cc1 ZINC000486937367 534054197 /nfs/dbraw/zinc/05/41/97/534054197.db2.gz MBIBFILVLZKMLE-IHWYPQMZSA-N 0 3 238.334 3.193 20 0 BGADHN Cc1ccc(CNC/C=C/c2ccncc2)cc1 ZINC000486937368 534054081 /nfs/dbraw/zinc/05/40/81/534054081.db2.gz MBIBFILVLZKMLE-NSCUHMNNSA-N 0 3 238.334 3.193 20 0 BGADHN Fc1ccc(CNC/C=C/c2ccncc2)cc1 ZINC000486947119 534464406 /nfs/dbraw/zinc/46/44/06/534464406.db2.gz RHWHNRNNRNHFLD-OWOJBTEDSA-N 0 3 242.297 3.024 20 0 BGADHN Fc1ccc(CNC/C=C\c2ccncc2)cc1 ZINC000486947121 534465691 /nfs/dbraw/zinc/46/56/91/534465691.db2.gz RHWHNRNNRNHFLD-UPHRSURJSA-N 0 3 242.297 3.024 20 0 BGADHN Fc1cccc(CNC/C=C/c2ccncc2)c1 ZINC000486957942 534517716 /nfs/dbraw/zinc/51/77/16/534517716.db2.gz NJSKKYBQILCDBM-DUXPYHPUSA-N 0 3 242.297 3.024 20 0 BGADHN Fc1cccc(CNC/C=C\c2ccncc2)c1 ZINC000486957943 534518869 /nfs/dbraw/zinc/51/88/69/534518869.db2.gz NJSKKYBQILCDBM-RQOWECAXSA-N 0 3 242.297 3.024 20 0 BGADHN c1nc(C2CC2)c(CNCc2ccccc2)s1 ZINC000486961065 538884890 /nfs/dbraw/zinc/88/48/90/538884890.db2.gz BNKXUKIIDOWWKT-UHFFFAOYSA-N 0 3 244.363 3.310 20 0 BGADHN CCOc1ncccc1CN[C@@H](C)[C@@H]1CC1(C)C ZINC000486962128 225277148 /nfs/dbraw/zinc/27/71/48/225277148.db2.gz CUMYAAIBFHNZRL-AAEUAGOBSA-N 0 3 248.370 3.005 20 0 BGADHN CCOc1ncccc1CN[C@H](C)[C@H]1CC1(C)C ZINC000486962129 225277285 /nfs/dbraw/zinc/27/72/85/225277285.db2.gz CUMYAAIBFHNZRL-DGCLKSJQSA-N 0 3 248.370 3.005 20 0 BGADHN CCOc1ncccc1CN[C@@H](C)[C@H]1CC1(C)C ZINC000486962130 225276054 /nfs/dbraw/zinc/27/60/54/225276054.db2.gz CUMYAAIBFHNZRL-WCQYABFASA-N 0 3 248.370 3.005 20 0 BGADHN CCOc1ncccc1CN[C@H](C)[C@@H]1CC1(C)C ZINC000486962131 225276489 /nfs/dbraw/zinc/27/64/89/225276489.db2.gz CUMYAAIBFHNZRL-YPMHNXCESA-N 0 3 248.370 3.005 20 0 BGADHN C[C@@H](NC/C=C\c1ccncc1)c1ccccc1 ZINC000486965683 533327761 /nfs/dbraw/zinc/32/77/61/533327761.db2.gz KJDSRDSXRRVXFY-GEXIGZQTSA-N 0 3 238.334 3.446 20 0 BGADHN C[C@H](NC/C=C/c1ccncc1)c1ccccc1 ZINC000486965686 533789358 /nfs/dbraw/zinc/78/93/58/533789358.db2.gz KJDSRDSXRRVXFY-GJBLVYBDSA-N 0 3 238.334 3.446 20 0 BGADHN C[C@H](NC/C=C\c1ccncc1)c1ccccc1 ZINC000486965687 533789208 /nfs/dbraw/zinc/78/92/08/533789208.db2.gz KJDSRDSXRRVXFY-GXMNPTEKSA-N 0 3 238.334 3.446 20 0 BGADHN C[C@@H](NC/C=C/c1ccncc1)c1ccccc1 ZINC000486965690 533326823 /nfs/dbraw/zinc/32/68/23/533326823.db2.gz KJDSRDSXRRVXFY-VBROQKIQSA-N 0 3 238.334 3.446 20 0 BGADHN CCOc1ccc(CN[C@@H]2CC2(C)C)cc1F ZINC000486968167 528460673 /nfs/dbraw/zinc/46/06/73/528460673.db2.gz NXFHSDBDGZVVGV-CYBMUJFWSA-N 0 3 237.318 3.113 20 0 BGADHN Cc1ccsc1CNC/C=C\c1ccncc1 ZINC000486980260 534473585 /nfs/dbraw/zinc/47/35/85/534473585.db2.gz IHVJXCRYIPWYIS-IHWYPQMZSA-N 0 3 244.363 3.255 20 0 BGADHN Cc1ccsc1CNC/C=C/c1ccncc1 ZINC000486980261 534473330 /nfs/dbraw/zinc/47/33/30/534473330.db2.gz IHVJXCRYIPWYIS-NSCUHMNNSA-N 0 3 244.363 3.255 20 0 BGADHN Cc1ccc(CNC/C=C\c2ccncc2)s1 ZINC000486982736 225278639 /nfs/dbraw/zinc/27/86/39/225278639.db2.gz BHIZAZWYNCJVRT-IHWYPQMZSA-N 0 3 244.363 3.255 20 0 BGADHN Cc1ccc(CNC/C=C/c2ccncc2)s1 ZINC000486982738 534052772 /nfs/dbraw/zinc/05/27/72/534052772.db2.gz BHIZAZWYNCJVRT-NSCUHMNNSA-N 0 3 244.363 3.255 20 0 BGADHN Fc1ccccc1CNC/C=C\c1ccncc1 ZINC000486988582 225280262 /nfs/dbraw/zinc/28/02/62/225280262.db2.gz JMFMCOQGFOMFTC-ARJAWSKDSA-N 0 3 242.297 3.024 20 0 BGADHN Fc1ccccc1CNC/C=C/c1ccncc1 ZINC000486988583 225279935 /nfs/dbraw/zinc/27/99/35/225279935.db2.gz JMFMCOQGFOMFTC-ONEGZZNKSA-N 0 3 242.297 3.024 20 0 BGADHN Cc1cccc(CNC/C=C\c2ccncc2)c1 ZINC000486991677 398047086 /nfs/dbraw/zinc/04/70/86/398047086.db2.gz XSDGSFJCAZZFNA-UTCJRWHESA-N 0 3 238.334 3.193 20 0 BGADHN Cc1cccc(CNC/C=C/c2ccncc2)c1 ZINC000486991678 398047184 /nfs/dbraw/zinc/04/71/84/398047184.db2.gz XSDGSFJCAZZFNA-ZZXKWVIFSA-N 0 3 238.334 3.193 20 0 BGADHN c1ccc2c(c1)nccc2N1CC[C@@H](C2CC2)C1 ZINC000487109776 225288028 /nfs/dbraw/zinc/28/80/28/225288028.db2.gz PDTAKDFOJRVINZ-CYBMUJFWSA-N 0 3 238.334 3.471 20 0 BGADHN c1ccc2c(c1)nccc2N1CC[C@H](C2CC2)C1 ZINC000487109778 225288429 /nfs/dbraw/zinc/28/84/29/225288429.db2.gz PDTAKDFOJRVINZ-ZDUSSCGKSA-N 0 3 238.334 3.471 20 0 BGADHN Cc1cscc1CNC/C=C\c1ccncc1 ZINC000487150567 225289029 /nfs/dbraw/zinc/28/90/29/225289029.db2.gz BXDQCDBPEIFLBT-IHWYPQMZSA-N 0 3 244.363 3.255 20 0 BGADHN Cc1cscc1CNC/C=C/c1ccncc1 ZINC000487150568 225289079 /nfs/dbraw/zinc/28/90/79/225289079.db2.gz BXDQCDBPEIFLBT-NSCUHMNNSA-N 0 3 244.363 3.255 20 0 BGADHN c1nc(C2CC2)c(CN[C@@H]2CC23CCCC3)s1 ZINC000487217457 538885019 /nfs/dbraw/zinc/88/50/19/538885019.db2.gz RVLSPDCVWXJBNV-GFCCVEGCSA-N 0 3 248.395 3.443 20 0 BGADHN c1nc(C2CC2)c(CN[C@H]2CC23CCCC3)s1 ZINC000487217458 538885371 /nfs/dbraw/zinc/88/53/71/538885371.db2.gz RVLSPDCVWXJBNV-LBPRGKRZSA-N 0 3 248.395 3.443 20 0 BGADHN CC(C)Cn1ccnc1CN[C@H](C)[C@H]1CC1(C)C ZINC000487318469 528732125 /nfs/dbraw/zinc/73/21/25/528732125.db2.gz LCGHTQLUBWMKIX-CHWSQXEVSA-N 0 3 249.402 3.063 20 0 BGADHN CC(C)Cn1ccnc1CN[C@H](C)[C@@H]1CC1(C)C ZINC000487318471 528732476 /nfs/dbraw/zinc/73/24/76/528732476.db2.gz LCGHTQLUBWMKIX-OLZOCXBDSA-N 0 3 249.402 3.063 20 0 BGADHN CC(C)Cn1ccnc1CN[C@@H](C)[C@H]1CC1(C)C ZINC000487318473 528732262 /nfs/dbraw/zinc/73/22/62/528732262.db2.gz LCGHTQLUBWMKIX-QWHCGFSZSA-N 0 3 249.402 3.063 20 0 BGADHN CC(C)Cn1ccnc1CN[C@@H](C)[C@@H]1CC1(C)C ZINC000487318474 528732424 /nfs/dbraw/zinc/73/24/24/528732424.db2.gz LCGHTQLUBWMKIX-STQMWFEESA-N 0 3 249.402 3.063 20 0 BGADHN CCOc1ccc(CN[C@@H]2C=CCCC2)cc1F ZINC000487320762 528461327 /nfs/dbraw/zinc/46/13/27/528461327.db2.gz OGTQLEMNWAAHCT-CYBMUJFWSA-N 0 3 249.329 3.423 20 0 BGADHN CCOc1ccc(CN[C@H]2C=CCCC2)cc1F ZINC000487320763 528464481 /nfs/dbraw/zinc/46/44/81/528464481.db2.gz OGTQLEMNWAAHCT-ZDUSSCGKSA-N 0 3 249.329 3.423 20 0 BGADHN CC1(CNCc2cnc(-c3ccco3)s2)CC1 ZINC000487326592 527983482 /nfs/dbraw/zinc/98/34/82/527983482.db2.gz QKWUTCUHHACYQD-UHFFFAOYSA-N 0 3 248.351 3.293 20 0 BGADHN CCC1CCC(N(C)Cc2cc(C)n(C)n2)CC1 ZINC000487393265 527841445 /nfs/dbraw/zinc/84/14/45/527841445.db2.gz HQRBVMSIKKVCMW-UHFFFAOYSA-N 0 3 249.402 3.129 20 0 BGADHN Cc1cc(CNC(C)(C)CC(C)(C)C)nn1C ZINC000487396669 533684650 /nfs/dbraw/zinc/68/46/50/533684650.db2.gz QFGRWHOTVVQAPU-UHFFFAOYSA-N 0 3 237.391 3.033 20 0 BGADHN CCCCCN(Cc1cc(C)n(C)n1)C(C)C ZINC000487396742 528181359 /nfs/dbraw/zinc/18/13/59/528181359.db2.gz MRMFEHWHRMKTBZ-UHFFFAOYSA-N 0 3 237.391 3.129 20 0 BGADHN CCC[C@H]1[C@H](C)CCCN1Cc1cc(C)n(C)n1 ZINC000487407357 324153884 /nfs/dbraw/zinc/15/38/84/324153884.db2.gz ALOCWLHFOOFJQB-DOMZBBRYSA-N 0 3 249.402 3.129 20 0 BGADHN CCC[C@@H]1[C@H](C)CCCN1Cc1cc(C)n(C)n1 ZINC000487407358 324153702 /nfs/dbraw/zinc/15/37/02/324153702.db2.gz ALOCWLHFOOFJQB-IUODEOHRSA-N 0 3 249.402 3.129 20 0 BGADHN CCC[C@@H]1[C@@H](C)CCCN1Cc1cc(C)n(C)n1 ZINC000487407359 324153832 /nfs/dbraw/zinc/15/38/32/324153832.db2.gz ALOCWLHFOOFJQB-SWLSCSKDSA-N 0 3 249.402 3.129 20 0 BGADHN CCC[C@H]1[C@@H](C)CCCN1Cc1cc(C)n(C)n1 ZINC000487407360 324153947 /nfs/dbraw/zinc/15/39/47/324153947.db2.gz ALOCWLHFOOFJQB-WFASDCNBSA-N 0 3 249.402 3.129 20 0 BGADHN CC[C@H](C)[C@H](C)N(Cc1cc(C)n(C)n1)C1CC1 ZINC000487409648 324153915 /nfs/dbraw/zinc/15/39/15/324153915.db2.gz LSIQGTBXMQRUPA-AAEUAGOBSA-N 0 3 249.402 3.128 20 0 BGADHN CC[C@@H](C)[C@@H](C)N(Cc1cc(C)n(C)n1)C1CC1 ZINC000487409650 324153790 /nfs/dbraw/zinc/15/37/90/324153790.db2.gz LSIQGTBXMQRUPA-DGCLKSJQSA-N 0 3 249.402 3.128 20 0 BGADHN CC[C@H](C)[C@@H](C)N(Cc1cc(C)n(C)n1)C1CC1 ZINC000487409651 324153674 /nfs/dbraw/zinc/15/36/74/324153674.db2.gz LSIQGTBXMQRUPA-WCQYABFASA-N 0 3 249.402 3.128 20 0 BGADHN CC[C@@H](C)[C@H](C)N(Cc1cc(C)n(C)n1)C1CC1 ZINC000487409653 324153759 /nfs/dbraw/zinc/15/37/59/324153759.db2.gz LSIQGTBXMQRUPA-YPMHNXCESA-N 0 3 249.402 3.128 20 0 BGADHN Cc1cc(CN2CCC[C@H]2CC(C)(C)C)nn1C ZINC000487420826 229179736 /nfs/dbraw/zinc/17/97/36/229179736.db2.gz NQLNWDUWKHZCHM-AWEZNQCLSA-N 0 3 249.402 3.129 20 0 BGADHN Cc1cc(CN2CCC[C@@H]2CC(C)(C)C)nn1C ZINC000487420827 533605978 /nfs/dbraw/zinc/60/59/78/533605978.db2.gz NQLNWDUWKHZCHM-CQSZACIVSA-N 0 3 249.402 3.129 20 0 BGADHN Cc1cc(CN(CC(C)C)C2CCCC2)nn1C ZINC000487429955 229179488 /nfs/dbraw/zinc/17/94/88/229179488.db2.gz NFHNQEUONKMEHX-UHFFFAOYSA-N 0 3 249.402 3.129 20 0 BGADHN CC[C@@H](C)[C@@H]1CCCCN1Cc1cc(C)n(C)n1 ZINC000487434310 529406522 /nfs/dbraw/zinc/40/65/22/529406522.db2.gz WWPZCHWOZLPRLZ-DOMZBBRYSA-N 0 3 249.402 3.129 20 0 BGADHN CC[C@@H](C)[C@H]1CCCCN1Cc1cc(C)n(C)n1 ZINC000487434311 529426013 /nfs/dbraw/zinc/42/60/13/529426013.db2.gz WWPZCHWOZLPRLZ-IUODEOHRSA-N 0 3 249.402 3.129 20 0 BGADHN CC[C@H](C)[C@H]1CCCCN1Cc1cc(C)n(C)n1 ZINC000487434312 529267290 /nfs/dbraw/zinc/26/72/90/529267290.db2.gz WWPZCHWOZLPRLZ-SWLSCSKDSA-N 0 3 249.402 3.129 20 0 BGADHN CC[C@H](C)[C@@H]1CCCCN1Cc1cc(C)n(C)n1 ZINC000487434313 529228735 /nfs/dbraw/zinc/22/87/35/529228735.db2.gz WWPZCHWOZLPRLZ-WFASDCNBSA-N 0 3 249.402 3.129 20 0 BGADHN C[C@H](Cc1cccc(F)c1)N(C)Cc1ccco1 ZINC000487505668 225309622 /nfs/dbraw/zinc/30/96/22/225309622.db2.gz QQVYOAMJWZJHCF-GFCCVEGCSA-N 0 3 247.313 3.482 20 0 BGADHN C[C@@H](Cc1cccc(F)c1)N(C)Cc1ccco1 ZINC000487505673 385397401 /nfs/dbraw/zinc/39/74/01/385397401.db2.gz QQVYOAMJWZJHCF-LBPRGKRZSA-N 0 3 247.313 3.482 20 0 BGADHN C[C@H](N[C@H]1COc2ccc(F)cc21)[C@H]1CC1(C)C ZINC000487550867 225313461 /nfs/dbraw/zinc/31/34/61/225313461.db2.gz KZKUADCTUWHVFB-BIMULSAOSA-N 0 3 249.329 3.283 20 0 BGADHN C[C@H](N[C@@H]1COc2ccc(F)cc21)[C@@H]1CC1(C)C ZINC000487550868 225313576 /nfs/dbraw/zinc/31/35/76/225313576.db2.gz KZKUADCTUWHVFB-TVYUQYBPSA-N 0 3 249.329 3.283 20 0 BGADHN C[C@H](N[C@H]1COc2ccc(F)cc21)[C@@H]1CC1(C)C ZINC000487550869 225313685 /nfs/dbraw/zinc/31/36/85/225313685.db2.gz KZKUADCTUWHVFB-XDTLVQLUSA-N 0 3 249.329 3.283 20 0 BGADHN C[C@H](N[C@@H]1COc2ccc(F)cc21)[C@H]1CC1(C)C ZINC000487550872 225313231 /nfs/dbraw/zinc/31/32/31/225313231.db2.gz KZKUADCTUWHVFB-ZWKOPEQDSA-N 0 3 249.329 3.283 20 0 BGADHN Cc1cc(C)nc(NC/C=C\c2ccncc2)c1 ZINC000487554047 534138545 /nfs/dbraw/zinc/13/85/45/534138545.db2.gz RCVHSCFORLBRSY-ARJAWSKDSA-N 0 3 239.322 3.219 20 0 BGADHN Cc1cc(C)nc(NC/C=C/c2ccncc2)c1 ZINC000487554548 534138791 /nfs/dbraw/zinc/13/87/91/534138791.db2.gz RCVHSCFORLBRSY-ONEGZZNKSA-N 0 3 239.322 3.219 20 0 BGADHN C[C@H](CC(F)(F)F)NC/C=C\c1ccncc1 ZINC000487568667 533743176 /nfs/dbraw/zinc/74/31/76/533743176.db2.gz CSMOXIDDYGXLCR-MXQLGCADSA-N 0 3 244.260 3.025 20 0 BGADHN C[C@@H](CC(F)(F)F)NC/C=C/c1ccncc1 ZINC000487568668 533486406 /nfs/dbraw/zinc/48/64/06/533486406.db2.gz CSMOXIDDYGXLCR-PBKGFPTLSA-N 0 3 244.260 3.025 20 0 BGADHN C[C@H](CC(F)(F)F)NC/C=C/c1ccncc1 ZINC000487568669 533743265 /nfs/dbraw/zinc/74/32/65/533743265.db2.gz CSMOXIDDYGXLCR-VMZHVLLKSA-N 0 3 244.260 3.025 20 0 BGADHN C[C@@H](CC(F)(F)F)NC/C=C\c1ccncc1 ZINC000487568670 533486119 /nfs/dbraw/zinc/48/61/19/533486119.db2.gz CSMOXIDDYGXLCR-ZMWSMAPVSA-N 0 3 244.260 3.025 20 0 BGADHN COc1cnccc1[C@H](C)N[C@H](C)[C@H]1CC1(C)C ZINC000487576301 385483812 /nfs/dbraw/zinc/48/38/12/385483812.db2.gz WPUMKIFNXFETGT-DMDPSCGWSA-N 0 3 248.370 3.175 20 0 BGADHN COc1cnccc1[C@H](C)N[C@@H](C)[C@H]1CC1(C)C ZINC000487576302 385483066 /nfs/dbraw/zinc/48/30/66/385483066.db2.gz WPUMKIFNXFETGT-GMXVVIOVSA-N 0 3 248.370 3.175 20 0 BGADHN COc1cnccc1[C@H](C)N[C@@H](C)[C@@H]1CC1(C)C ZINC000487576303 385484351 /nfs/dbraw/zinc/48/43/51/385484351.db2.gz WPUMKIFNXFETGT-GVXVVHGQSA-N 0 3 248.370 3.175 20 0 BGADHN COc1cnccc1[C@H](C)N[C@H](C)[C@@H]1CC1(C)C ZINC000487576304 385483831 /nfs/dbraw/zinc/48/38/31/385483831.db2.gz WPUMKIFNXFETGT-LOWVWBTDSA-N 0 3 248.370 3.175 20 0 BGADHN COc1ncccc1CN1CCC[C@H]1CC(C)C ZINC000487867236 533258862 /nfs/dbraw/zinc/25/88/62/533258862.db2.gz IBLBGMVDSBQREV-AWEZNQCLSA-N 0 3 248.370 3.101 20 0 BGADHN COc1ncccc1CN1CCC[C@@H]1CC(C)C ZINC000487867237 533258284 /nfs/dbraw/zinc/25/82/84/533258284.db2.gz IBLBGMVDSBQREV-CQSZACIVSA-N 0 3 248.370 3.101 20 0 BGADHN CCC1(C)CCN(Cc2cccnc2OC)CC1 ZINC000487891209 529023593 /nfs/dbraw/zinc/02/35/93/529023593.db2.gz RVPQKEIKCWVSKR-UHFFFAOYSA-N 0 3 248.370 3.102 20 0 BGADHN COc1ncccc1CN1CCC[C@@H]1C(C)(C)C ZINC000487913889 533257799 /nfs/dbraw/zinc/25/77/99/533257799.db2.gz ODQAFNXZZVBFOA-CYBMUJFWSA-N 0 3 248.370 3.101 20 0 BGADHN COc1ncccc1CN1CCC[C@H]1C(C)(C)C ZINC000487913891 533258718 /nfs/dbraw/zinc/25/87/18/533258718.db2.gz ODQAFNXZZVBFOA-ZDUSSCGKSA-N 0 3 248.370 3.101 20 0 BGADHN CCSCCN(C)Cc1ccc(F)cc1C ZINC000487963501 529178851 /nfs/dbraw/zinc/17/88/51/529178851.db2.gz LZUVIEBCFRYGLQ-UHFFFAOYSA-N 0 3 241.375 3.319 20 0 BGADHN C[C@H]1COC(C)(C)CN1CCCc1ccccc1 ZINC000488148647 534020254 /nfs/dbraw/zinc/02/02/54/534020254.db2.gz KPOXHGGTOICGFD-AWEZNQCLSA-N 0 3 247.382 3.119 20 0 BGADHN Cc1ccc(C)c(CN2CC(C)(C)OC[C@@H]2C)c1 ZINC000488158440 533668835 /nfs/dbraw/zinc/66/88/35/533668835.db2.gz GKFZDRFZVMIUFT-AWEZNQCLSA-N 0 3 247.382 3.303 20 0 BGADHN C[C@@H](CN1CC(C)(C)OC[C@@H]1C)c1ccccc1 ZINC000488162177 533806850 /nfs/dbraw/zinc/80/68/50/533806850.db2.gz MXFKVCMOLRYPCS-KBPBESRZSA-N 0 3 247.382 3.289 20 0 BGADHN C[C@H](CN1CC(C)(C)OC[C@@H]1C)c1ccccc1 ZINC000488162178 225352546 /nfs/dbraw/zinc/35/25/46/225352546.db2.gz MXFKVCMOLRYPCS-KGLIPLIRSA-N 0 3 247.382 3.289 20 0 BGADHN Cc1cccc(C)c1CN1CC(C)(C)OC[C@@H]1C ZINC000488164103 534664178 /nfs/dbraw/zinc/66/41/78/534664178.db2.gz QNUYASWSJFUYHY-AWEZNQCLSA-N 0 3 247.382 3.303 20 0 BGADHN CCC[C@@H]1CCCN(Cc2cccnc2OC)C1 ZINC000488204188 527749814 /nfs/dbraw/zinc/74/98/14/527749814.db2.gz QRUVBZIXKIGORP-CYBMUJFWSA-N 0 3 248.370 3.102 20 0 BGADHN CCC[C@H]1CCCN(Cc2cccnc2OC)C1 ZINC000488204189 528375854 /nfs/dbraw/zinc/37/58/54/528375854.db2.gz QRUVBZIXKIGORP-ZDUSSCGKSA-N 0 3 248.370 3.102 20 0 BGADHN C[C@H]1COC(C)(C)CN1CCC1CCCC1 ZINC000488204931 534018059 /nfs/dbraw/zinc/01/80/59/534018059.db2.gz XSMPNOUSKPVGPY-LBPRGKRZSA-N 0 3 225.376 3.066 20 0 BGADHN CCC1(CC)CCN(Cc2cccnc2OC)C1 ZINC000488214027 529056944 /nfs/dbraw/zinc/05/69/44/529056944.db2.gz DWGPPTLBVXSYGV-UHFFFAOYSA-N 0 3 248.370 3.102 20 0 BGADHN Cc1cc(C)cc(CN2CC(C)(C)OC[C@@H]2C)c1 ZINC000488237193 225358257 /nfs/dbraw/zinc/35/82/57/225358257.db2.gz WZROITFXOIVDAZ-AWEZNQCLSA-N 0 3 247.382 3.303 20 0 BGADHN CCc1ccccc1CN1CC(C)(C)OC[C@@H]1C ZINC000488242972 529579511 /nfs/dbraw/zinc/57/95/11/529579511.db2.gz JYXWOYSWMYGZHL-ZDUSSCGKSA-N 0 3 247.382 3.248 20 0 BGADHN Cc1ccc(CCN2CC(C)(C)OC[C@@H]2C)cc1 ZINC000488250817 533786458 /nfs/dbraw/zinc/78/64/58/533786458.db2.gz LDAQNSJKOCILCD-AWEZNQCLSA-N 0 3 247.382 3.037 20 0 BGADHN CCOc1ccccc1CN(C)C[C@H]1C[C@@H]1C ZINC000488284525 528723061 /nfs/dbraw/zinc/72/30/61/528723061.db2.gz LDTSVGLZMPXGIB-GXTWGEPZSA-N 0 3 233.355 3.173 20 0 BGADHN CCOc1ccccc1CN(C)C[C@@H]1C[C@@H]1C ZINC000488284527 528723485 /nfs/dbraw/zinc/72/34/85/528723485.db2.gz LDTSVGLZMPXGIB-JSGCOSHPSA-N 0 3 233.355 3.173 20 0 BGADHN CCOc1ccccc1CN(C)C[C@@H]1C[C@H]1C ZINC000488284528 528723756 /nfs/dbraw/zinc/72/37/56/528723756.db2.gz LDTSVGLZMPXGIB-OCCSQVGLSA-N 0 3 233.355 3.173 20 0 BGADHN CCOc1ccccc1CN(C)C[C@H]1C[C@H]1C ZINC000488284530 528723884 /nfs/dbraw/zinc/72/38/84/528723884.db2.gz LDTSVGLZMPXGIB-TZMCWYRMSA-N 0 3 233.355 3.173 20 0 BGADHN C[C@@H]1C[C@H]1CN(C)Cc1ccc(Cl)s1 ZINC000488287227 534017687 /nfs/dbraw/zinc/01/76/87/534017687.db2.gz RAZYDPNLFOKTSA-BDAKNGLRSA-N 0 3 229.776 3.489 20 0 BGADHN C[C@H]1C[C@@H]1CN(C)Cc1ccc(Cl)s1 ZINC000488287229 225361611 /nfs/dbraw/zinc/36/16/11/225361611.db2.gz RAZYDPNLFOKTSA-DTWKUNHWSA-N 0 3 229.776 3.489 20 0 BGADHN C[C@H]1C[C@H]1CN(C)Cc1ccc(Cl)s1 ZINC000488287230 225361116 /nfs/dbraw/zinc/36/11/16/225361116.db2.gz RAZYDPNLFOKTSA-IUCAKERBSA-N 0 3 229.776 3.489 20 0 BGADHN C[C@@H]1C[C@@H]1CN(C)Cc1ccc(Cl)s1 ZINC000488287231 533714395 /nfs/dbraw/zinc/71/43/95/533714395.db2.gz RAZYDPNLFOKTSA-RKDXNWHRSA-N 0 3 229.776 3.489 20 0 BGADHN CCC[C@H]1CCCCN1Cc1cccnc1OC ZINC000488289701 528367907 /nfs/dbraw/zinc/36/79/07/528367907.db2.gz AWTBFZSHCHMQPI-AWEZNQCLSA-N 0 3 248.370 3.245 20 0 BGADHN CCC[C@@H]1CCCCN1Cc1cccnc1OC ZINC000488289702 527738315 /nfs/dbraw/zinc/73/83/15/527738315.db2.gz AWTBFZSHCHMQPI-CQSZACIVSA-N 0 3 248.370 3.245 20 0 BGADHN C[C@H]1C[C@@H]1CN(C)Cc1ccc(F)c(F)c1 ZINC000488292255 225363711 /nfs/dbraw/zinc/36/37/11/225363711.db2.gz YTNWXIKDLPRXQZ-GXSJLCMTSA-N 0 3 225.282 3.053 20 0 BGADHN C[C@@H]1C[C@H]1CN(C)Cc1ccc(F)c(F)c1 ZINC000488292256 534019073 /nfs/dbraw/zinc/01/90/73/534019073.db2.gz YTNWXIKDLPRXQZ-KOLCDFICSA-N 0 3 225.282 3.053 20 0 BGADHN C[C@@H]1C[C@@H]1CN(C)Cc1ccc(F)c(F)c1 ZINC000488292257 533712757 /nfs/dbraw/zinc/71/27/57/533712757.db2.gz YTNWXIKDLPRXQZ-MWLCHTKSSA-N 0 3 225.282 3.053 20 0 BGADHN C[C@H]1C[C@H]1CN(C)Cc1ccc(F)c(F)c1 ZINC000488292258 225362967 /nfs/dbraw/zinc/36/29/67/225362967.db2.gz YTNWXIKDLPRXQZ-ONGXEEELSA-N 0 3 225.282 3.053 20 0 BGADHN CCN(CC)Cc1cc2ccc(F)cc2[nH]1 ZINC000488294128 528185842 /nfs/dbraw/zinc/18/58/42/528185842.db2.gz LMTWDTDDUVPPLT-UHFFFAOYSA-N 0 3 220.291 3.149 20 0 BGADHN CCOc1ccc2c(c1)CCN(CCC(C)C)C2 ZINC000488295156 528618376 /nfs/dbraw/zinc/61/83/76/528618376.db2.gz LNYJJTGTWVPJHU-UHFFFAOYSA-N 0 3 247.382 3.490 20 0 BGADHN CCOc1ccc2c(c1)CCN(C[C@@H]1C[C@H]1C)C2 ZINC000488296161 225363053 /nfs/dbraw/zinc/36/30/53/225363053.db2.gz MWUOVGSYAXCMGY-DOMZBBRYSA-N 0 3 245.366 3.099 20 0 BGADHN CCOc1ccc2c(c1)CCN(C[C@H]1C[C@H]1C)C2 ZINC000488296162 225363774 /nfs/dbraw/zinc/36/37/74/225363774.db2.gz MWUOVGSYAXCMGY-IUODEOHRSA-N 0 3 245.366 3.099 20 0 BGADHN CCOc1ccc2c(c1)CCN(C[C@H]1C[C@@H]1C)C2 ZINC000488296164 225362655 /nfs/dbraw/zinc/36/26/55/225362655.db2.gz MWUOVGSYAXCMGY-SWLSCSKDSA-N 0 3 245.366 3.099 20 0 BGADHN CCOc1ccc2c(c1)CCN(C[C@@H]1C[C@@H]1C)C2 ZINC000488296166 225362925 /nfs/dbraw/zinc/36/29/25/225362925.db2.gz MWUOVGSYAXCMGY-WFASDCNBSA-N 0 3 245.366 3.099 20 0 BGADHN CCN(Cc1cc2ccc(F)cc2[nH]1)C1CC1 ZINC000488296994 528768042 /nfs/dbraw/zinc/76/80/42/528768042.db2.gz KIFFRAOGUPFARC-UHFFFAOYSA-N 0 3 232.302 3.291 20 0 BGADHN C[C@H]1CCN(Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488298279 225365488 /nfs/dbraw/zinc/36/54/88/225365488.db2.gz OYNIRXRCWNCIOX-JTQLQIEISA-N 0 3 232.302 3.149 20 0 BGADHN C[C@@H]1CCN(Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488298281 534037640 /nfs/dbraw/zinc/03/76/40/534037640.db2.gz OYNIRXRCWNCIOX-SNVBAGLBSA-N 0 3 232.302 3.149 20 0 BGADHN C[C@@H](c1ccco1)N(C[C@H]1C[C@H]1C)C1CC1 ZINC000488307634 225367398 /nfs/dbraw/zinc/36/73/98/225367398.db2.gz LTBCUBRQONSEMM-GRYCIOLGSA-N 0 3 219.328 3.461 20 0 BGADHN C[C@H](c1ccco1)N(C[C@H]1C[C@H]1C)C1CC1 ZINC000488307635 225367069 /nfs/dbraw/zinc/36/70/69/225367069.db2.gz LTBCUBRQONSEMM-IJLUTSLNSA-N 0 3 219.328 3.461 20 0 BGADHN C[C@H](c1ccco1)N(C[C@@H]1C[C@H]1C)C1CC1 ZINC000488307636 225366921 /nfs/dbraw/zinc/36/69/21/225366921.db2.gz LTBCUBRQONSEMM-UTUOFQBUSA-N 0 3 219.328 3.461 20 0 BGADHN C[C@@H](c1ccco1)N(C[C@@H]1C[C@H]1C)C1CC1 ZINC000488307637 225366448 /nfs/dbraw/zinc/36/64/48/225366448.db2.gz LTBCUBRQONSEMM-WOPDTQHZSA-N 0 3 219.328 3.461 20 0 BGADHN CCCN(C)Cc1cc2ccc(F)cc2[nH]1 ZINC000488310525 527854536 /nfs/dbraw/zinc/85/45/36/527854536.db2.gz QDQTZVFCBHWAEW-UHFFFAOYSA-N 0 3 220.291 3.149 20 0 BGADHN C[C@H]1C[C@@H]1CN(C)Cc1ccccc1Cl ZINC000488312884 225370029 /nfs/dbraw/zinc/37/00/29/225370029.db2.gz LYSWPOKUDIJAHU-CMPLNLGQSA-N 0 3 223.747 3.428 20 0 BGADHN C[C@H]1C[C@H]1CN(C)Cc1ccccc1Cl ZINC000488312886 225369996 /nfs/dbraw/zinc/36/99/96/225369996.db2.gz LYSWPOKUDIJAHU-JQWIXIFHSA-N 0 3 223.747 3.428 20 0 BGADHN C[C@@H]1C[C@H]1CN(C)Cc1ccccc1Cl ZINC000488312890 534017800 /nfs/dbraw/zinc/01/78/00/534017800.db2.gz LYSWPOKUDIJAHU-PWSUYJOCSA-N 0 3 223.747 3.428 20 0 BGADHN C[C@@H]1C[C@@H]1CN(C)Cc1ccccc1Cl ZINC000488312894 533714167 /nfs/dbraw/zinc/71/41/67/533714167.db2.gz LYSWPOKUDIJAHU-ZYHUDNBSSA-N 0 3 223.747 3.428 20 0 BGADHN C[C@@H]1C[C@H]1CN1CCc2[nH]c3ccccc3c2C1 ZINC000488314534 534024222 /nfs/dbraw/zinc/02/42/22/534024222.db2.gz NNCMGJNBQRJHTE-NEPJUHHUSA-N 0 3 240.350 3.182 20 0 BGADHN C[C@H]1C[C@@H]1CN1CCc2[nH]c3ccccc3c2C1 ZINC000488314536 225369618 /nfs/dbraw/zinc/36/96/18/225369618.db2.gz NNCMGJNBQRJHTE-NWDGAFQWSA-N 0 3 240.350 3.182 20 0 BGADHN C[C@H]1C[C@H]1CN1CCc2[nH]c3ccccc3c2C1 ZINC000488314538 225369280 /nfs/dbraw/zinc/36/92/80/225369280.db2.gz NNCMGJNBQRJHTE-RYUDHWBXSA-N 0 3 240.350 3.182 20 0 BGADHN C[C@@H]1C[C@@H]1CN1CCc2[nH]c3ccccc3c2C1 ZINC000488314540 225369577 /nfs/dbraw/zinc/36/95/77/225369577.db2.gz NNCMGJNBQRJHTE-VXGBXAGGSA-N 0 3 240.350 3.182 20 0 BGADHN Fc1ccc2cc(CN3C[C@H]4CCC[C@@H]43)[nH]c2c1 ZINC000488314582 534507680 /nfs/dbraw/zinc/50/76/80/534507680.db2.gz OOSDLRKESLREMV-ABAIWWIYSA-N 0 3 244.313 3.291 20 0 BGADHN Fc1ccc2cc(CN3C[C@H]4CCC[C@H]43)[nH]c2c1 ZINC000488314583 534506459 /nfs/dbraw/zinc/50/64/59/534506459.db2.gz OOSDLRKESLREMV-IAQYHMDHSA-N 0 3 244.313 3.291 20 0 BGADHN Fc1ccc2cc(CN3C[C@@H]4CCC[C@@H]43)[nH]c2c1 ZINC000488314584 534506511 /nfs/dbraw/zinc/50/65/11/534506511.db2.gz OOSDLRKESLREMV-NHYWBVRUSA-N 0 3 244.313 3.291 20 0 BGADHN Fc1ccc2cc(CN3C[C@@H]4CCC[C@H]43)[nH]c2c1 ZINC000488314585 534507290 /nfs/dbraw/zinc/50/72/90/534507290.db2.gz OOSDLRKESLREMV-XHDPSFHLSA-N 0 3 244.313 3.291 20 0 BGADHN CC(C)N(C)Cc1cc2ccc(F)cc2[nH]1 ZINC000488317544 528834992 /nfs/dbraw/zinc/83/49/92/528834992.db2.gz JSCUYHAIFQZHAC-UHFFFAOYSA-N 0 3 220.291 3.147 20 0 BGADHN CC[N@@H+](C[C@@H]1C[C@H]1C)[C@H](C)c1cccc([O-])c1 ZINC000488318211 528686038 /nfs/dbraw/zinc/68/60/38/528686038.db2.gz VCPBGTMGEGQQJH-BZPMIXESSA-N 0 3 233.355 3.431 20 0 BGADHN CC[N@H+](C[C@@H]1C[C@H]1C)[C@H](C)c1cccc([O-])c1 ZINC000488318211 528686030 /nfs/dbraw/zinc/68/60/30/528686030.db2.gz VCPBGTMGEGQQJH-BZPMIXESSA-N 0 3 233.355 3.431 20 0 BGADHN CC[N@@H+](C[C@@H]1C[C@H]1C)[C@@H](C)c1cccc([O-])c1 ZINC000488318213 528685935 /nfs/dbraw/zinc/68/59/35/528685935.db2.gz VCPBGTMGEGQQJH-DYEKYZERSA-N 0 3 233.355 3.431 20 0 BGADHN CC[N@H+](C[C@@H]1C[C@H]1C)[C@@H](C)c1cccc([O-])c1 ZINC000488318213 528685929 /nfs/dbraw/zinc/68/59/29/528685929.db2.gz VCPBGTMGEGQQJH-DYEKYZERSA-N 0 3 233.355 3.431 20 0 BGADHN CC[N@@H+](C[C@@H]1C[C@@H]1C)[C@@H](C)c1cccc([O-])c1 ZINC000488318215 528685081 /nfs/dbraw/zinc/68/50/81/528685081.db2.gz VCPBGTMGEGQQJH-OBJOEFQTSA-N 0 3 233.355 3.431 20 0 BGADHN CC[N@H+](C[C@@H]1C[C@@H]1C)[C@@H](C)c1cccc([O-])c1 ZINC000488318215 528685077 /nfs/dbraw/zinc/68/50/77/528685077.db2.gz VCPBGTMGEGQQJH-OBJOEFQTSA-N 0 3 233.355 3.431 20 0 BGADHN CC[N@@H+](C[C@@H]1C[C@@H]1C)[C@H](C)c1cccc([O-])c1 ZINC000488318217 528685163 /nfs/dbraw/zinc/68/51/63/528685163.db2.gz VCPBGTMGEGQQJH-SCRDCRAPSA-N 0 3 233.355 3.431 20 0 BGADHN CC[N@H+](C[C@@H]1C[C@@H]1C)[C@H](C)c1cccc([O-])c1 ZINC000488318217 528685159 /nfs/dbraw/zinc/68/51/59/528685159.db2.gz VCPBGTMGEGQQJH-SCRDCRAPSA-N 0 3 233.355 3.431 20 0 BGADHN C[C@H]1C[C@H]1CN1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000488319255 225372272 /nfs/dbraw/zinc/37/22/72/225372272.db2.gz YPOQLXFBAPNMTB-LQKXBSAESA-N 0 3 245.366 3.104 20 0 BGADHN C[C@@H]1C[C@H]1CN1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000488319256 534023140 /nfs/dbraw/zinc/02/31/40/534023140.db2.gz YPOQLXFBAPNMTB-LUYZLQTOSA-N 0 3 245.366 3.104 20 0 BGADHN C[C@@H]1C[C@H]1CN1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000488319258 534023639 /nfs/dbraw/zinc/02/36/39/534023639.db2.gz YPOQLXFBAPNMTB-VDERGJSUSA-N 0 3 245.366 3.104 20 0 BGADHN C[C@H]1C[C@H]1CN1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000488319260 225371176 /nfs/dbraw/zinc/37/11/76/225371176.db2.gz YPOQLXFBAPNMTB-XRGAULLZSA-N 0 3 245.366 3.104 20 0 BGADHN C[C@H]1C[C@H]1CN1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000488329710 225375038 /nfs/dbraw/zinc/37/50/38/225375038.db2.gz GTFXESYAPCKVIY-LQKXBSAESA-N 0 3 245.366 3.104 20 0 BGADHN C[C@@H]1C[C@H]1CN1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000488329712 534024233 /nfs/dbraw/zinc/02/42/33/534024233.db2.gz GTFXESYAPCKVIY-LUYZLQTOSA-N 0 3 245.366 3.104 20 0 BGADHN C[C@@H]1C[C@H]1CN1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000488329713 534024144 /nfs/dbraw/zinc/02/41/44/534024144.db2.gz GTFXESYAPCKVIY-VDERGJSUSA-N 0 3 245.366 3.104 20 0 BGADHN C[C@H]1C[C@H]1CN1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000488329715 385753021 /nfs/dbraw/zinc/75/30/21/385753021.db2.gz GTFXESYAPCKVIY-XRGAULLZSA-N 0 3 245.366 3.104 20 0 BGADHN C[C@H]1C[C@H]1CN(Cc1ccccc1F)C1CC1 ZINC000488330900 225376016 /nfs/dbraw/zinc/37/60/16/225376016.db2.gz LCPAKSOOFZLOAL-AAEUAGOBSA-N 0 3 233.330 3.446 20 0 BGADHN C[C@@H]1C[C@@H]1CN(Cc1ccccc1F)C1CC1 ZINC000488330901 533716172 /nfs/dbraw/zinc/71/61/72/533716172.db2.gz LCPAKSOOFZLOAL-DGCLKSJQSA-N 0 3 233.330 3.446 20 0 BGADHN C[C@H]1C[C@@H]1CN(Cc1ccccc1F)C1CC1 ZINC000488330902 225373375 /nfs/dbraw/zinc/37/33/75/225373375.db2.gz LCPAKSOOFZLOAL-WCQYABFASA-N 0 3 233.330 3.446 20 0 BGADHN C[C@@H]1C[C@H]1CN(Cc1ccccc1F)C1CC1 ZINC000488330903 534019446 /nfs/dbraw/zinc/01/94/46/534019446.db2.gz LCPAKSOOFZLOAL-YPMHNXCESA-N 0 3 233.330 3.446 20 0 BGADHN Cc1ccc(NC[C@H]2C[C@H]2C)c(CN(C)C)c1 ZINC000488331819 225375383 /nfs/dbraw/zinc/37/53/83/225375383.db2.gz KKZWLGFEGPLISX-CHWSQXEVSA-N 0 3 232.371 3.125 20 0 BGADHN Cc1ccc(NC[C@@H]2C[C@H]2C)c(CN(C)C)c1 ZINC000488331822 225375942 /nfs/dbraw/zinc/37/59/42/225375942.db2.gz KKZWLGFEGPLISX-OLZOCXBDSA-N 0 3 232.371 3.125 20 0 BGADHN Cc1ccc(NC[C@H]2C[C@@H]2C)c(CN(C)C)c1 ZINC000488331825 225375412 /nfs/dbraw/zinc/37/54/12/225375412.db2.gz KKZWLGFEGPLISX-QWHCGFSZSA-N 0 3 232.371 3.125 20 0 BGADHN Cc1ccc(NC[C@@H]2C[C@@H]2C)c(CN(C)C)c1 ZINC000488331827 225375964 /nfs/dbraw/zinc/37/59/64/225375964.db2.gz KKZWLGFEGPLISX-STQMWFEESA-N 0 3 232.371 3.125 20 0 BGADHN C[C@@H](c1ccccc1F)N(C)C[C@H]1C[C@H]1C ZINC000488332997 534126605 /nfs/dbraw/zinc/12/66/05/534126605.db2.gz LKVNAXHGQCRJJF-GRYCIOLGSA-N 0 3 221.319 3.475 20 0 BGADHN C[C@H](c1ccccc1F)N(C)C[C@H]1C[C@H]1C ZINC000488332999 225375398 /nfs/dbraw/zinc/37/53/98/225375398.db2.gz LKVNAXHGQCRJJF-IJLUTSLNSA-N 0 3 221.319 3.475 20 0 BGADHN C[C@H](c1ccccc1F)N(C)C[C@@H]1C[C@H]1C ZINC000488333000 225374428 /nfs/dbraw/zinc/37/44/28/225374428.db2.gz LKVNAXHGQCRJJF-UTUOFQBUSA-N 0 3 221.319 3.475 20 0 BGADHN C[C@@H](c1ccccc1F)N(C)C[C@@H]1C[C@H]1C ZINC000488333002 534126273 /nfs/dbraw/zinc/12/62/73/534126273.db2.gz LKVNAXHGQCRJJF-WOPDTQHZSA-N 0 3 221.319 3.475 20 0 BGADHN C[C@H]1C[C@@H]1CN1CCc2c(Cl)cccc2C1 ZINC000488333396 225374799 /nfs/dbraw/zinc/37/47/99/225374799.db2.gz OGZHDLGHAAUBGP-CMPLNLGQSA-N 0 3 235.758 3.354 20 0 BGADHN C[C@H]1C[C@H]1CN1CCc2c(Cl)cccc2C1 ZINC000488333418 225375756 /nfs/dbraw/zinc/37/57/56/225375756.db2.gz OGZHDLGHAAUBGP-JQWIXIFHSA-N 0 3 235.758 3.354 20 0 BGADHN C[C@@H]1C[C@H]1CN1CCc2c(Cl)cccc2C1 ZINC000488333422 534023331 /nfs/dbraw/zinc/02/33/31/534023331.db2.gz OGZHDLGHAAUBGP-PWSUYJOCSA-N 0 3 235.758 3.354 20 0 BGADHN C[C@@H]1C[C@@H]1CN1CCc2c(Cl)cccc2C1 ZINC000488333425 225375814 /nfs/dbraw/zinc/37/58/14/225375814.db2.gz OGZHDLGHAAUBGP-ZYHUDNBSSA-N 0 3 235.758 3.354 20 0 BGADHN Fc1ccc2cc(CN3CCC34CCC4)[nH]c2c1 ZINC000488339361 385751218 /nfs/dbraw/zinc/75/12/18/385751218.db2.gz WTISRTSRSSZTCT-UHFFFAOYSA-N 0 3 244.313 3.435 20 0 BGADHN C[C@@H]1C[C@@H]1CN1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000488341568 225379931 /nfs/dbraw/zinc/37/99/31/225379931.db2.gz CDGVKECDMQHOAC-CLWVCHIJSA-N 0 3 245.366 3.104 20 0 BGADHN C[C@@H]1C[C@@H]1CN1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000488341571 385754907 /nfs/dbraw/zinc/75/49/07/385754907.db2.gz CDGVKECDMQHOAC-OCVGTWLNSA-N 0 3 245.366 3.104 20 0 BGADHN C[C@@H]1C[C@@H]1CN1C[C@H](c2ccccc2)OC[C@H]1C ZINC000488341598 385755856 /nfs/dbraw/zinc/75/58/56/385755856.db2.gz CDGVKECDMQHOAC-RRCSTGOVSA-N 0 3 245.366 3.104 20 0 BGADHN C[C@@H]1C[C@@H]1CN1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000488341605 385755197 /nfs/dbraw/zinc/75/51/97/385755197.db2.gz CDGVKECDMQHOAC-XOUADPBQSA-N 0 3 245.366 3.104 20 0 BGADHN COc1ccccc1CN(C[C@H]1C[C@@H]1C)C1CC1 ZINC000488342779 534070745 /nfs/dbraw/zinc/07/07/45/534070745.db2.gz CDPAGKAWIRRQJW-GXTWGEPZSA-N 0 3 245.366 3.316 20 0 BGADHN COc1ccccc1CN(C[C@@H]1C[C@@H]1C)C1CC1 ZINC000488342780 534068650 /nfs/dbraw/zinc/06/86/50/534068650.db2.gz CDPAGKAWIRRQJW-JSGCOSHPSA-N 0 3 245.366 3.316 20 0 BGADHN COc1ccccc1CN(C[C@@H]1C[C@H]1C)C1CC1 ZINC000488342781 534068631 /nfs/dbraw/zinc/06/86/31/534068631.db2.gz CDPAGKAWIRRQJW-OCCSQVGLSA-N 0 3 245.366 3.316 20 0 BGADHN COc1ccccc1CN(C[C@H]1C[C@H]1C)C1CC1 ZINC000488342782 534070394 /nfs/dbraw/zinc/07/03/94/534070394.db2.gz CDPAGKAWIRRQJW-TZMCWYRMSA-N 0 3 245.366 3.316 20 0 BGADHN C[C@H]1C[C@@H]1CN(C)Cc1ccc(F)cc1F ZINC000488345363 225381321 /nfs/dbraw/zinc/38/13/21/225381321.db2.gz HZPJHKNDIKTWHH-GXSJLCMTSA-N 0 3 225.282 3.053 20 0 BGADHN C[C@@H]1C[C@H]1CN(C)Cc1ccc(F)cc1F ZINC000488345364 534019818 /nfs/dbraw/zinc/01/98/18/534019818.db2.gz HZPJHKNDIKTWHH-KOLCDFICSA-N 0 3 225.282 3.053 20 0 BGADHN C[C@@H]1C[C@@H]1CN(C)Cc1ccc(F)cc1F ZINC000488345366 533714833 /nfs/dbraw/zinc/71/48/33/533714833.db2.gz HZPJHKNDIKTWHH-MWLCHTKSSA-N 0 3 225.282 3.053 20 0 BGADHN C[C@H]1C[C@H]1CN(C)Cc1ccc(F)cc1F ZINC000488345367 225381616 /nfs/dbraw/zinc/38/16/16/225381616.db2.gz HZPJHKNDIKTWHH-ONGXEEELSA-N 0 3 225.282 3.053 20 0 BGADHN C[C@H]1C[C@H]1CN1CCOC2(C1)CCCCCC2 ZINC000488345647 225381818 /nfs/dbraw/zinc/38/18/18/225381818.db2.gz JUSFJJKNENCTIX-KBPBESRZSA-N 0 3 237.387 3.068 20 0 BGADHN C[C@@H]1C[C@H]1CN1CCOC2(C1)CCCCCC2 ZINC000488345649 225381127 /nfs/dbraw/zinc/38/11/27/225381127.db2.gz JUSFJJKNENCTIX-KGLIPLIRSA-N 0 3 237.387 3.068 20 0 BGADHN C[C@H]1C[C@@H]1CN1CCOC2(C1)CCCCCC2 ZINC000488345651 225382305 /nfs/dbraw/zinc/38/23/05/225382305.db2.gz JUSFJJKNENCTIX-UONOGXRCSA-N 0 3 237.387 3.068 20 0 BGADHN C[C@@H]1C[C@@H]1CN1CCOC2(C1)CCCCCC2 ZINC000488345652 533722400 /nfs/dbraw/zinc/72/24/00/533722400.db2.gz JUSFJJKNENCTIX-ZIAGYGMSSA-N 0 3 237.387 3.068 20 0 BGADHN C[C@H]1CCCN1Cc1cc2ccc(F)cc2[nH]1 ZINC000488348834 385754770 /nfs/dbraw/zinc/75/47/70/385754770.db2.gz DFDZFMDKRUPHQT-JTQLQIEISA-N 0 3 232.302 3.291 20 0 BGADHN C[C@@H]1CCCN1Cc1cc2ccc(F)cc2[nH]1 ZINC000488348835 385754670 /nfs/dbraw/zinc/75/46/70/385754670.db2.gz DFDZFMDKRUPHQT-SNVBAGLBSA-N 0 3 232.302 3.291 20 0 BGADHN CN(Cc1cc2ccc(F)cc2[nH]1)C1CCC1 ZINC000488355046 529980774 /nfs/dbraw/zinc/98/07/74/529980774.db2.gz QXNJNKIHUKRRNF-UHFFFAOYSA-N 0 3 232.302 3.291 20 0 BGADHN C[C@H]1C[C@@H]1CN1CCc2ccc(Cl)cc2C1 ZINC000488356908 225386358 /nfs/dbraw/zinc/38/63/58/225386358.db2.gz ZSZMREWXIQYHCZ-CMPLNLGQSA-N 0 3 235.758 3.354 20 0 BGADHN C[C@H]1C[C@H]1CN1CCc2ccc(Cl)cc2C1 ZINC000488356910 225386570 /nfs/dbraw/zinc/38/65/70/225386570.db2.gz ZSZMREWXIQYHCZ-JQWIXIFHSA-N 0 3 235.758 3.354 20 0 BGADHN C[C@@H]1C[C@H]1CN1CCc2ccc(Cl)cc2C1 ZINC000488356911 534024370 /nfs/dbraw/zinc/02/43/70/534024370.db2.gz ZSZMREWXIQYHCZ-PWSUYJOCSA-N 0 3 235.758 3.354 20 0 BGADHN C[C@@H]1C[C@@H]1CN1CCc2ccc(Cl)cc2C1 ZINC000488356914 225385901 /nfs/dbraw/zinc/38/59/01/225385901.db2.gz ZSZMREWXIQYHCZ-ZYHUDNBSSA-N 0 3 235.758 3.354 20 0 BGADHN Cc1cccc(CN2CC(C)(C)OC[C@@H]2C)c1C ZINC000488364584 225388289 /nfs/dbraw/zinc/38/82/89/225388289.db2.gz JRUZKLRARBCZPW-ZDUSSCGKSA-N 0 3 247.382 3.303 20 0 BGADHN CCc1cccc(NC2CCN(C)CC2)c1CC ZINC000488385090 538914480 /nfs/dbraw/zinc/91/44/80/538914480.db2.gz JARGAIHXGLUOBY-UHFFFAOYSA-N 0 3 246.398 3.318 20 0 BGADHN COc1ncccc1CN1C[C@H](C)CCC[C@H]1C ZINC000488398086 533258393 /nfs/dbraw/zinc/25/83/93/533258393.db2.gz MNLGDTFYXYANFL-CHWSQXEVSA-N 0 3 248.370 3.101 20 0 BGADHN COc1ncccc1CN1C[C@H](C)CCC[C@@H]1C ZINC000488398087 533258777 /nfs/dbraw/zinc/25/87/77/533258777.db2.gz MNLGDTFYXYANFL-OLZOCXBDSA-N 0 3 248.370 3.101 20 0 BGADHN COc1ncccc1CN1C[C@@H](C)CCC[C@H]1C ZINC000488398088 533258364 /nfs/dbraw/zinc/25/83/64/533258364.db2.gz MNLGDTFYXYANFL-QWHCGFSZSA-N 0 3 248.370 3.101 20 0 BGADHN COc1ncccc1CN1C[C@@H](C)CCC[C@@H]1C ZINC000488398089 533257568 /nfs/dbraw/zinc/25/75/68/533257568.db2.gz MNLGDTFYXYANFL-STQMWFEESA-N 0 3 248.370 3.101 20 0 BGADHN C[C@H]1CSCCN(C/C=C\c2ccccc2)C1 ZINC000488401704 534060636 /nfs/dbraw/zinc/06/06/36/534060636.db2.gz WQEZGWSMWBFRTN-BMWLXYDHSA-N 0 3 247.407 3.385 20 0 BGADHN C[C@@H]1CSCCN(C/C=C\c2ccccc2)C1 ZINC000488401705 534488002 /nfs/dbraw/zinc/48/80/02/534488002.db2.gz WQEZGWSMWBFRTN-PODYEWJSSA-N 0 3 247.407 3.385 20 0 BGADHN CCOc1ncccc1CNC1CC(C(C)C)C1 ZINC000488405445 225390899 /nfs/dbraw/zinc/39/08/99/225390899.db2.gz AXIIQHFBSPFRFZ-UHFFFAOYSA-N 0 3 248.370 3.005 20 0 BGADHN Cc1ccc(CN2CC(C)(C)OC[C@@H]2C)c(C)c1 ZINC000488406911 533914434 /nfs/dbraw/zinc/91/44/34/533914434.db2.gz LRPJJKLINLDOBB-AWEZNQCLSA-N 0 3 247.382 3.303 20 0 BGADHN CCC(CC)c1cc(CNC[C@H]2C[C@@H]2C)on1 ZINC000488412207 528883272 /nfs/dbraw/zinc/88/32/72/528883272.db2.gz OGNOLXRPGIJFRQ-CMPLNLGQSA-N 0 3 236.359 3.324 20 0 BGADHN CCC(CC)c1cc(CNC[C@@H]2C[C@@H]2C)on1 ZINC000488412209 528883870 /nfs/dbraw/zinc/88/38/70/528883870.db2.gz OGNOLXRPGIJFRQ-JQWIXIFHSA-N 0 3 236.359 3.324 20 0 BGADHN CCC(CC)c1cc(CNC[C@@H]2C[C@H]2C)on1 ZINC000488412211 528883168 /nfs/dbraw/zinc/88/31/68/528883168.db2.gz OGNOLXRPGIJFRQ-PWSUYJOCSA-N 0 3 236.359 3.324 20 0 BGADHN CCC(CC)c1cc(CNC[C@H]2C[C@H]2C)on1 ZINC000488412212 528883349 /nfs/dbraw/zinc/88/33/49/528883349.db2.gz OGNOLXRPGIJFRQ-ZYHUDNBSSA-N 0 3 236.359 3.324 20 0 BGADHN CCCCOc1ncccc1CNC[C@H]1C[C@@H]1C ZINC000488413146 528711006 /nfs/dbraw/zinc/71/10/06/528711006.db2.gz PECVSOMSLFYGHU-GXTWGEPZSA-N 0 3 248.370 3.006 20 0 BGADHN CCCCOc1ncccc1CNC[C@@H]1C[C@@H]1C ZINC000488413147 528710645 /nfs/dbraw/zinc/71/06/45/528710645.db2.gz PECVSOMSLFYGHU-JSGCOSHPSA-N 0 3 248.370 3.006 20 0 BGADHN CCCCOc1ncccc1CNC[C@@H]1C[C@H]1C ZINC000488413148 528710879 /nfs/dbraw/zinc/71/08/79/528710879.db2.gz PECVSOMSLFYGHU-OCCSQVGLSA-N 0 3 248.370 3.006 20 0 BGADHN CCCCOc1ncccc1CNC[C@H]1C[C@H]1C ZINC000488413149 528710565 /nfs/dbraw/zinc/71/05/65/528710565.db2.gz PECVSOMSLFYGHU-TZMCWYRMSA-N 0 3 248.370 3.006 20 0 BGADHN CC[C@@]1(C)CCCN(Cc2cccnc2OC)C1 ZINC000488418897 385774207 /nfs/dbraw/zinc/77/42/07/385774207.db2.gz TVJDTLOIKIUSBP-HNNXBMFYSA-N 0 3 248.370 3.102 20 0 BGADHN CC[C@]1(C)CCCN(Cc2cccnc2OC)C1 ZINC000488418898 385774281 /nfs/dbraw/zinc/77/42/81/385774281.db2.gz TVJDTLOIKIUSBP-OAHLLOKOSA-N 0 3 248.370 3.102 20 0 BGADHN C[C@@H]1C[C@H]1CNCc1cccc(OC(C)(C)C)n1 ZINC000488428771 225396127 /nfs/dbraw/zinc/39/61/27/225396127.db2.gz LCZVYSYUWQFBDJ-NEPJUHHUSA-N 0 3 248.370 3.005 20 0 BGADHN C[C@H]1C[C@@H]1CNCc1cccc(OC(C)(C)C)n1 ZINC000488428772 225396458 /nfs/dbraw/zinc/39/64/58/225396458.db2.gz LCZVYSYUWQFBDJ-NWDGAFQWSA-N 0 3 248.370 3.005 20 0 BGADHN C[C@H]1C[C@H]1CNCc1cccc(OC(C)(C)C)n1 ZINC000488428773 225395672 /nfs/dbraw/zinc/39/56/72/225395672.db2.gz LCZVYSYUWQFBDJ-RYUDHWBXSA-N 0 3 248.370 3.005 20 0 BGADHN C[C@@H]1C[C@@H]1CNCc1cccc(OC(C)(C)C)n1 ZINC000488428774 533728874 /nfs/dbraw/zinc/72/88/74/533728874.db2.gz LCZVYSYUWQFBDJ-VXGBXAGGSA-N 0 3 248.370 3.005 20 0 BGADHN c1ccc2c(c1)OC[C@@H]2NC1CCC2(CC2)CC1 ZINC000488434990 225397529 /nfs/dbraw/zinc/39/75/29/225397529.db2.gz QMBTVRNSXLTNLX-AWEZNQCLSA-N 0 3 243.350 3.433 20 0 BGADHN c1ccc2c(c1)OC[C@H]2NC1CCC2(CC2)CC1 ZINC000488434991 534502878 /nfs/dbraw/zinc/50/28/78/534502878.db2.gz QMBTVRNSXLTNLX-CQSZACIVSA-N 0 3 243.350 3.433 20 0 BGADHN COC[C@@H](NC1CCC2(CC2)CC1)c1ccco1 ZINC000488445185 388179417 /nfs/dbraw/zinc/17/94/17/388179417.db2.gz QTACZEQFUAWQHE-CYBMUJFWSA-N 0 3 249.354 3.280 20 0 BGADHN COC[C@H](NC1CCC2(CC2)CC1)c1ccco1 ZINC000488445186 388179770 /nfs/dbraw/zinc/17/97/70/388179770.db2.gz QTACZEQFUAWQHE-ZDUSSCGKSA-N 0 3 249.354 3.280 20 0 BGADHN C[C@H]1C[C@H]1CNCc1ncoc1-c1ccccc1 ZINC000488445630 388179656 /nfs/dbraw/zinc/17/96/56/388179656.db2.gz JARZPWOBAXJGGF-AAEUAGOBSA-N 0 3 242.322 3.087 20 0 BGADHN C[C@@H]1C[C@@H]1CNCc1ncoc1-c1ccccc1 ZINC000488445633 388179685 /nfs/dbraw/zinc/17/96/85/388179685.db2.gz JARZPWOBAXJGGF-DGCLKSJQSA-N 0 3 242.322 3.087 20 0 BGADHN C[C@H]1C[C@@H]1CNCc1ncoc1-c1ccccc1 ZINC000488445636 388179730 /nfs/dbraw/zinc/17/97/30/388179730.db2.gz JARZPWOBAXJGGF-WCQYABFASA-N 0 3 242.322 3.087 20 0 BGADHN C[C@@H]1C[C@H]1CNCc1ncoc1-c1ccccc1 ZINC000488445637 388179561 /nfs/dbraw/zinc/17/95/61/388179561.db2.gz JARZPWOBAXJGGF-YPMHNXCESA-N 0 3 242.322 3.087 20 0 BGADHN C[C@H]1C[C@H]1CNCc1cc(-c2ccccc2)on1 ZINC000488445810 388179723 /nfs/dbraw/zinc/17/97/23/388179723.db2.gz SGPUSURLJZCFQG-AAEUAGOBSA-N 0 3 242.322 3.087 20 0 BGADHN C[C@@H]1C[C@@H]1CNCc1cc(-c2ccccc2)on1 ZINC000488445811 388179244 /nfs/dbraw/zinc/17/92/44/388179244.db2.gz SGPUSURLJZCFQG-DGCLKSJQSA-N 0 3 242.322 3.087 20 0 BGADHN C[C@H]1C[C@@H]1CNCc1cc(-c2ccccc2)on1 ZINC000488445813 388179448 /nfs/dbraw/zinc/17/94/48/388179448.db2.gz SGPUSURLJZCFQG-WCQYABFASA-N 0 3 242.322 3.087 20 0 BGADHN C[C@@H]1C[C@H]1CNCc1cc(-c2ccccc2)on1 ZINC000488445815 388179286 /nfs/dbraw/zinc/17/92/86/388179286.db2.gz SGPUSURLJZCFQG-YPMHNXCESA-N 0 3 242.322 3.087 20 0 BGADHN COc1ncccc1CN1CCCC(C)(C)CC1 ZINC000488446747 388179587 /nfs/dbraw/zinc/17/95/87/388179587.db2.gz KJQFSGROQZFVMM-UHFFFAOYSA-N 0 3 248.370 3.102 20 0 BGADHN C[C@@H]1C[C@@H]1CNCc1coc(-c2cccs2)n1 ZINC000488449568 388180551 /nfs/dbraw/zinc/18/05/51/388180551.db2.gz OJMUYWVTFQAICO-NXEZZACHSA-N 0 3 248.351 3.149 20 0 BGADHN C[C@H]1C[C@H]1CNCc1coc(-c2cccs2)n1 ZINC000488449569 225402152 /nfs/dbraw/zinc/40/21/52/225402152.db2.gz OJMUYWVTFQAICO-UWVGGRQHSA-N 0 3 248.351 3.149 20 0 BGADHN C[C@H]1C[C@@H]1CNCc1coc(-c2cccs2)n1 ZINC000488449570 388180389 /nfs/dbraw/zinc/18/03/89/388180389.db2.gz OJMUYWVTFQAICO-VHSXEESVSA-N 0 3 248.351 3.149 20 0 BGADHN C[C@@H]1C[C@H]1CNCc1coc(-c2cccs2)n1 ZINC000488449571 388180359 /nfs/dbraw/zinc/18/03/59/388180359.db2.gz OJMUYWVTFQAICO-ZJUUUORDSA-N 0 3 248.351 3.149 20 0 BGADHN CC[C@@H]1CCCN(Cc2cccnc2OC)CC1 ZINC000488450089 388180542 /nfs/dbraw/zinc/18/05/42/388180542.db2.gz RALNCTUQLINJIH-CYBMUJFWSA-N 0 3 248.370 3.102 20 0 BGADHN CC[C@H]1CCCN(Cc2cccnc2OC)CC1 ZINC000488450090 388180594 /nfs/dbraw/zinc/18/05/94/388180594.db2.gz RALNCTUQLINJIH-ZDUSSCGKSA-N 0 3 248.370 3.102 20 0 BGADHN CC[C@H]1CCCCCN1Cc1cccnc1OC ZINC000488451808 388180416 /nfs/dbraw/zinc/18/04/16/388180416.db2.gz UDFDOXLPGVHQIO-AWEZNQCLSA-N 0 3 248.370 3.245 20 0 BGADHN CC[C@@H]1CCCCCN1Cc1cccnc1OC ZINC000488451810 398073896 /nfs/dbraw/zinc/07/38/96/398073896.db2.gz UDFDOXLPGVHQIO-CQSZACIVSA-N 0 3 248.370 3.245 20 0 BGADHN COc1cnccc1[C@H](C)NC1CC(C(C)C)C1 ZINC000488458119 388180209 /nfs/dbraw/zinc/18/02/09/388180209.db2.gz DPQGGPWMARSGAF-HIFPTAJRSA-N 0 3 248.370 3.175 20 0 BGADHN COc1cnccc1[C@@H](C)NC1CC(C(C)C)C1 ZINC000488458120 388180117 /nfs/dbraw/zinc/18/01/17/388180117.db2.gz DPQGGPWMARSGAF-PNESKVBLSA-N 0 3 248.370 3.175 20 0 BGADHN CC(C)C1CC(N[C@@H]2COc3ccc(F)cc32)C1 ZINC000488462510 527629161 /nfs/dbraw/zinc/62/91/61/527629161.db2.gz PGMCUHSTDXMSIV-MMWSSPAHSA-N 0 3 249.329 3.283 20 0 BGADHN CC(C)C1CC(N[C@H]2COc3ccc(F)cc32)C1 ZINC000488462511 385806233 /nfs/dbraw/zinc/80/62/33/385806233.db2.gz PGMCUHSTDXMSIV-OVGLSYRBSA-N 0 3 249.329 3.283 20 0 BGADHN OCC[C@@H](NC1CCC2(CC2)CC1)c1ccco1 ZINC000488462566 388181322 /nfs/dbraw/zinc/18/13/22/388181322.db2.gz PLEQCRKPGTZFQN-CYBMUJFWSA-N 0 3 249.354 3.016 20 0 BGADHN OCC[C@H](NC1CCC2(CC2)CC1)c1ccco1 ZINC000488462568 388181082 /nfs/dbraw/zinc/18/10/82/388181082.db2.gz PLEQCRKPGTZFQN-ZDUSSCGKSA-N 0 3 249.354 3.016 20 0 BGADHN C[C@@H]1C[C@@H]1CN(C)Cc1cc(F)c(F)c(F)c1 ZINC000488464978 388181491 /nfs/dbraw/zinc/18/14/91/388181491.db2.gz SJLFSBCFWKBQEW-PSASIEDQSA-N 0 3 243.272 3.192 20 0 BGADHN C[C@@H]1C[C@H]1CN(C)Cc1cc(F)c(F)c(F)c1 ZINC000488464980 388181206 /nfs/dbraw/zinc/18/12/06/388181206.db2.gz SJLFSBCFWKBQEW-SCZZXKLOSA-N 0 3 243.272 3.192 20 0 BGADHN C[C@H]1C[C@@H]1CN(C)Cc1cc(F)c(F)c(F)c1 ZINC000488464981 388181175 /nfs/dbraw/zinc/18/11/75/388181175.db2.gz SJLFSBCFWKBQEW-WCBMZHEXSA-N 0 3 243.272 3.192 20 0 BGADHN C[C@H]1C[C@H]1CN(C)Cc1cc(F)c(F)c(F)c1 ZINC000488464982 388181098 /nfs/dbraw/zinc/18/10/98/388181098.db2.gz SJLFSBCFWKBQEW-WPRPVWTQSA-N 0 3 243.272 3.192 20 0 BGADHN CCC[C@H](C)N[C@@H](C)c1nnc([C@@H](C)CC)[nH]1 ZINC000488468329 388181613 /nfs/dbraw/zinc/18/16/13/388181613.db2.gz SDSDJPIMUPZJAS-DCAQKATOSA-N 0 3 238.379 3.157 20 0 BGADHN CCC[C@H](C)[NH2+][C@@H](C)c1nnc([C@@H](C)CC)[n-]1 ZINC000488468329 388181611 /nfs/dbraw/zinc/18/16/11/388181611.db2.gz SDSDJPIMUPZJAS-DCAQKATOSA-N 0 3 238.379 3.157 20 0 BGADHN CCC[C@H](C)N[C@H](C)c1nnc([C@@H](C)CC)[nH]1 ZINC000488468338 388181528 /nfs/dbraw/zinc/18/15/28/388181528.db2.gz SDSDJPIMUPZJAS-GARJFASQSA-N 0 3 238.379 3.157 20 0 BGADHN CCC[C@H](C)[NH2+][C@H](C)c1nnc([C@@H](C)CC)[n-]1 ZINC000488468338 388181527 /nfs/dbraw/zinc/18/15/27/388181527.db2.gz SDSDJPIMUPZJAS-GARJFASQSA-N 0 3 238.379 3.157 20 0 BGADHN CCC[C@H](C)N[C@H](C)c1nnc([C@H](C)CC)[nH]1 ZINC000488468339 388181648 /nfs/dbraw/zinc/18/16/48/388181648.db2.gz SDSDJPIMUPZJAS-OUAUKWLOSA-N 0 3 238.379 3.157 20 0 BGADHN CCC[C@H](C)[NH2+][C@H](C)c1nnc([C@H](C)CC)[n-]1 ZINC000488468339 388181644 /nfs/dbraw/zinc/18/16/44/388181644.db2.gz SDSDJPIMUPZJAS-OUAUKWLOSA-N 0 3 238.379 3.157 20 0 BGADHN CCC[C@H](C)N[C@@H](C)c1nnc([C@H](C)CC)[nH]1 ZINC000488468341 388180993 /nfs/dbraw/zinc/18/09/93/388180993.db2.gz SDSDJPIMUPZJAS-VWYCJHECSA-N 0 3 238.379 3.157 20 0 BGADHN CCC[C@H](C)[NH2+][C@@H](C)c1nnc([C@H](C)CC)[n-]1 ZINC000488468341 388180990 /nfs/dbraw/zinc/18/09/90/388180990.db2.gz SDSDJPIMUPZJAS-VWYCJHECSA-N 0 3 238.379 3.157 20 0 BGADHN CC(C)C1CC(N[C@H](C)c2cncc(F)c2)C1 ZINC000488469715 388181468 /nfs/dbraw/zinc/18/14/68/388181468.db2.gz ZLXXYVVAGKLPQR-CDWSIMAYSA-N 0 3 236.334 3.306 20 0 BGADHN CC[C@H](C)c1nnc([C@H](C)N[C@H](C)C(C)C)[nH]1 ZINC000488477662 388181959 /nfs/dbraw/zinc/18/19/59/388181959.db2.gz OISSVCYQPHXRRG-AXFHLTTASA-N 0 3 238.379 3.013 20 0 BGADHN CC[C@H](C)c1nnc([C@H](C)[NH2+][C@H](C)C(C)C)[n-]1 ZINC000488477662 388181958 /nfs/dbraw/zinc/18/19/58/388181958.db2.gz OISSVCYQPHXRRG-AXFHLTTASA-N 0 3 238.379 3.013 20 0 BGADHN CC[C@H](C)c1nnc([C@H](C)N[C@@H](C)C(C)C)[nH]1 ZINC000488477663 388182572 /nfs/dbraw/zinc/18/25/72/388182572.db2.gz OISSVCYQPHXRRG-DCAQKATOSA-N 0 3 238.379 3.013 20 0 BGADHN CC[C@H](C)c1nnc([C@H](C)[NH2+][C@@H](C)C(C)C)[n-]1 ZINC000488477663 388182570 /nfs/dbraw/zinc/18/25/70/388182570.db2.gz OISSVCYQPHXRRG-DCAQKATOSA-N 0 3 238.379 3.013 20 0 BGADHN CC[C@H](C)c1nnc([C@@H](C)N[C@@H](C)C(C)C)[nH]1 ZINC000488477665 388182584 /nfs/dbraw/zinc/18/25/84/388182584.db2.gz OISSVCYQPHXRRG-GARJFASQSA-N 0 3 238.379 3.013 20 0 BGADHN CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@@H](C)C(C)C)[n-]1 ZINC000488477665 388182581 /nfs/dbraw/zinc/18/25/81/388182581.db2.gz OISSVCYQPHXRRG-GARJFASQSA-N 0 3 238.379 3.013 20 0 BGADHN CC[C@H](C)c1nnc([C@@H](C)N[C@H](C)C(C)C)[nH]1 ZINC000488477666 388181996 /nfs/dbraw/zinc/18/19/96/388181996.db2.gz OISSVCYQPHXRRG-HBNTYKKESA-N 0 3 238.379 3.013 20 0 BGADHN CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@H](C)C(C)C)[n-]1 ZINC000488477666 388181994 /nfs/dbraw/zinc/18/19/94/388181994.db2.gz OISSVCYQPHXRRG-HBNTYKKESA-N 0 3 238.379 3.013 20 0 BGADHN CCC(CC)N[C@H](C)c1nnc([C@H](C)CC)[nH]1 ZINC000488519498 388184030 /nfs/dbraw/zinc/18/40/30/388184030.db2.gz ROJDPTXLVNBXJZ-NXEZZACHSA-N 0 3 238.379 3.157 20 0 BGADHN CCC(CC)[NH2+][C@H](C)c1nnc([C@H](C)CC)[n-]1 ZINC000488519498 388184029 /nfs/dbraw/zinc/18/40/29/388184029.db2.gz ROJDPTXLVNBXJZ-NXEZZACHSA-N 0 3 238.379 3.157 20 0 BGADHN CCC(CC)N[C@@H](C)c1nnc([C@@H](C)CC)[nH]1 ZINC000488519500 388184360 /nfs/dbraw/zinc/18/43/60/388184360.db2.gz ROJDPTXLVNBXJZ-UWVGGRQHSA-N 0 3 238.379 3.157 20 0 BGADHN CCC(CC)[NH2+][C@@H](C)c1nnc([C@@H](C)CC)[n-]1 ZINC000488519500 388184357 /nfs/dbraw/zinc/18/43/57/388184357.db2.gz ROJDPTXLVNBXJZ-UWVGGRQHSA-N 0 3 238.379 3.157 20 0 BGADHN CCC(CC)N[C@H](C)c1nnc([C@@H](C)CC)[nH]1 ZINC000488519502 388184050 /nfs/dbraw/zinc/18/40/50/388184050.db2.gz ROJDPTXLVNBXJZ-VHSXEESVSA-N 0 3 238.379 3.157 20 0 BGADHN CCC(CC)[NH2+][C@H](C)c1nnc([C@@H](C)CC)[n-]1 ZINC000488519502 388184048 /nfs/dbraw/zinc/18/40/48/388184048.db2.gz ROJDPTXLVNBXJZ-VHSXEESVSA-N 0 3 238.379 3.157 20 0 BGADHN CCC(CC)N[C@@H](C)c1nnc([C@H](C)CC)[nH]1 ZINC000488519504 388184366 /nfs/dbraw/zinc/18/43/66/388184366.db2.gz ROJDPTXLVNBXJZ-ZJUUUORDSA-N 0 3 238.379 3.157 20 0 BGADHN CCC(CC)[NH2+][C@@H](C)c1nnc([C@H](C)CC)[n-]1 ZINC000488519504 388184364 /nfs/dbraw/zinc/18/43/64/388184364.db2.gz ROJDPTXLVNBXJZ-ZJUUUORDSA-N 0 3 238.379 3.157 20 0 BGADHN C[C@H]1C[C@H]1CN1CCc2cc(Cl)ccc2C1 ZINC000488532925 388184933 /nfs/dbraw/zinc/18/49/33/388184933.db2.gz HDSOQXKFGPNLGH-GWCFXTLKSA-N 0 3 235.758 3.354 20 0 BGADHN C[C@H]1C[C@@H]1CN1CCc2cc(Cl)ccc2C1 ZINC000488532926 385818488 /nfs/dbraw/zinc/81/84/88/385818488.db2.gz HDSOQXKFGPNLGH-GXFFZTMASA-N 0 3 235.758 3.354 20 0 BGADHN C[C@@H]1C[C@H]1CN1CCc2cc(Cl)ccc2C1 ZINC000488532927 385819154 /nfs/dbraw/zinc/81/91/54/385819154.db2.gz HDSOQXKFGPNLGH-MFKMUULPSA-N 0 3 235.758 3.354 20 0 BGADHN C[C@@H]1C[C@@H]1CN1CCc2cc(Cl)ccc2C1 ZINC000488532928 219874413 /nfs/dbraw/zinc/87/44/13/219874413.db2.gz HDSOQXKFGPNLGH-ZWNOBZJWSA-N 0 3 235.758 3.354 20 0 BGADHN COc1c2ccccc2oc1CNC[C@H]1C[C@H]1C ZINC000488545101 388186387 /nfs/dbraw/zinc/18/63/87/388186387.db2.gz OJPOQLLQWAAJHE-GHMZBOCLSA-N 0 3 245.322 3.187 20 0 BGADHN COc1c2ccccc2oc1CNC[C@@H]1C[C@H]1C ZINC000488545102 388185993 /nfs/dbraw/zinc/18/59/93/388185993.db2.gz OJPOQLLQWAAJHE-MNOVXSKESA-N 0 3 245.322 3.187 20 0 BGADHN COc1c2ccccc2oc1CNC[C@@H]1C[C@@H]1C ZINC000488545103 533451519 /nfs/dbraw/zinc/45/15/19/533451519.db2.gz OJPOQLLQWAAJHE-QWRGUYRKSA-N 0 3 245.322 3.187 20 0 BGADHN COc1c2ccccc2oc1CNC[C@H]1C[C@@H]1C ZINC000488545104 388186551 /nfs/dbraw/zinc/18/65/51/388186551.db2.gz OJPOQLLQWAAJHE-WDEREUQCSA-N 0 3 245.322 3.187 20 0 BGADHN CC(C)Cn1ccnc1CNC1CC(C(C)C)C1 ZINC000488568135 388188480 /nfs/dbraw/zinc/18/84/80/388188480.db2.gz BEDULMZDKZDLSH-UHFFFAOYSA-N 0 3 249.402 3.063 20 0 BGADHN Cc1cc(F)ccc1CN(C)Cc1ccn(C)c1 ZINC000488578910 388189332 /nfs/dbraw/zinc/18/93/32/388189332.db2.gz GCUZZIUNXIUGCQ-UHFFFAOYSA-N 0 3 246.329 3.105 20 0 BGADHN Cc1nc([C@H]2CCCN2C[C@H]2C[C@H]2C)cs1 ZINC000488584436 388190366 /nfs/dbraw/zinc/19/03/66/388190366.db2.gz RMNDYJMHRMYKLP-IRUJWGPZSA-N 0 3 236.384 3.244 20 0 BGADHN Cc1nc([C@H]2CCCN2C[C@@H]2C[C@H]2C)cs1 ZINC000488584440 388189632 /nfs/dbraw/zinc/18/96/32/388189632.db2.gz RMNDYJMHRMYKLP-SUZMYJTESA-N 0 3 236.384 3.244 20 0 BGADHN Cc1nc([C@H]2CCCN2C[C@H]2C[C@@H]2C)cs1 ZINC000488584443 388190260 /nfs/dbraw/zinc/19/02/60/388190260.db2.gz RMNDYJMHRMYKLP-UFGOTCBOSA-N 0 3 236.384 3.244 20 0 BGADHN Cc1nc([C@H]2CCCN2C[C@@H]2C[C@@H]2C)cs1 ZINC000488584447 388190267 /nfs/dbraw/zinc/19/02/67/388190267.db2.gz RMNDYJMHRMYKLP-XHVZSJERSA-N 0 3 236.384 3.244 20 0 BGADHN COc1ncccc1CN1CCCCC(C)(C)C1 ZINC000488988654 388199640 /nfs/dbraw/zinc/19/96/40/388199640.db2.gz UFWZNXPTQQBPOE-UHFFFAOYSA-N 0 3 248.370 3.102 20 0 BGADHN COc1ccc(CN(C)CC=C(C)C)cc1C ZINC000489100372 388204596 /nfs/dbraw/zinc/20/45/96/388204596.db2.gz JURBKDZBAPJVKZ-UHFFFAOYSA-N 0 3 233.355 3.402 20 0 BGADHN C[C@H](c1ccc2c(c1)CCC2)N1CCSCC1 ZINC000489100593 388204478 /nfs/dbraw/zinc/20/44/78/388204478.db2.gz LEXNCUACVCYFEX-GFCCVEGCSA-N 0 3 247.407 3.285 20 0 BGADHN C[C@@H](c1ccc2c(c1)CCC2)N1CCSCC1 ZINC000489100595 388204426 /nfs/dbraw/zinc/20/44/26/388204426.db2.gz LEXNCUACVCYFEX-LBPRGKRZSA-N 0 3 247.407 3.285 20 0 BGADHN Cc1cccc([C@H](C)N2CCN(C(C)C)CC2)c1 ZINC000489106341 388204686 /nfs/dbraw/zinc/20/46/86/388204686.db2.gz UUSZEELQMWSVRC-HNNXBMFYSA-N 0 3 246.398 3.082 20 0 BGADHN Cc1cccc([C@@H](C)N2CCN(C(C)C)CC2)c1 ZINC000489106343 388204524 /nfs/dbraw/zinc/20/45/24/388204524.db2.gz UUSZEELQMWSVRC-OAHLLOKOSA-N 0 3 246.398 3.082 20 0 BGADHN Fc1ccc2c(c1)CN(CC1CCCC1)CCO2 ZINC000489193751 388205250 /nfs/dbraw/zinc/20/52/50/388205250.db2.gz QPHAXIBTBBKWDM-UHFFFAOYSA-N 0 3 249.329 3.210 20 0 BGADHN CN(Cc1ccc(F)cc1)[C@@H]1CC1(C)C ZINC000489401434 388210841 /nfs/dbraw/zinc/21/08/41/388210841.db2.gz JKFRGBXMMGDHQR-GFCCVEGCSA-N 0 3 207.292 3.056 20 0 BGADHN CN(Cc1ccc(F)cc1)[C@H]1CC1(C)C ZINC000489401435 388211099 /nfs/dbraw/zinc/21/10/99/388211099.db2.gz JKFRGBXMMGDHQR-LBPRGKRZSA-N 0 3 207.292 3.056 20 0 BGADHN Cc1cc(F)ccc1CN(C)[C@@H]1CC1(C)C ZINC000489425944 398024822 /nfs/dbraw/zinc/02/48/22/398024822.db2.gz AKSXABMKUWUAAI-CYBMUJFWSA-N 0 3 221.319 3.364 20 0 BGADHN Cc1cc(F)ccc1CN(C)[C@H]1CC1(C)C ZINC000489425946 398025027 /nfs/dbraw/zinc/02/50/27/398025027.db2.gz AKSXABMKUWUAAI-ZDUSSCGKSA-N 0 3 221.319 3.364 20 0 BGADHN CN(CCc1cccc(F)c1F)[C@@H]1CC1(C)C ZINC000489427388 398025086 /nfs/dbraw/zinc/02/50/86/398025086.db2.gz BSEAHGNIHRJSKS-GFCCVEGCSA-N 0 3 239.309 3.238 20 0 BGADHN CN(CCc1cccc(F)c1F)[C@H]1CC1(C)C ZINC000489427389 398025094 /nfs/dbraw/zinc/02/50/94/398025094.db2.gz BSEAHGNIHRJSKS-LBPRGKRZSA-N 0 3 239.309 3.238 20 0 BGADHN COc1ccc(C)cc1CN(C)[C@H]1CC1(C)C ZINC000489436105 388213383 /nfs/dbraw/zinc/21/33/83/388213383.db2.gz LNLDCSFEUAJUTE-AWEZNQCLSA-N 0 3 233.355 3.234 20 0 BGADHN COc1ccc(C)cc1CN(C)[C@@H]1CC1(C)C ZINC000489436107 388213316 /nfs/dbraw/zinc/21/33/16/388213316.db2.gz LNLDCSFEUAJUTE-CQSZACIVSA-N 0 3 233.355 3.234 20 0 BGADHN Cc1ccc(F)cc1CN(C)[C@@H]1CC1(C)C ZINC000489438427 384270115 /nfs/dbraw/zinc/27/01/15/384270115.db2.gz HFRCEWCPTYTFOO-CYBMUJFWSA-N 0 3 221.319 3.364 20 0 BGADHN Cc1ccc(F)cc1CN(C)[C@H]1CC1(C)C ZINC000489438428 384270440 /nfs/dbraw/zinc/27/04/40/384270440.db2.gz HFRCEWCPTYTFOO-ZDUSSCGKSA-N 0 3 221.319 3.364 20 0 BGADHN Cc1ccc(C(=O)CCN(C)[C@H]2CC2(C)C)cc1 ZINC000489441534 388214598 /nfs/dbraw/zinc/21/45/98/388214598.db2.gz SUSHIOUULLMWMA-HNNXBMFYSA-N 0 3 245.366 3.298 20 0 BGADHN Cc1ccc(C(=O)CCN(C)[C@@H]2CC2(C)C)cc1 ZINC000489441535 388215261 /nfs/dbraw/zinc/21/52/61/388215261.db2.gz SUSHIOUULLMWMA-OAHLLOKOSA-N 0 3 245.366 3.298 20 0 BGADHN CCOc1ccccc1CN(C)[C@H]1CC1(C)C ZINC000489441928 388214798 /nfs/dbraw/zinc/21/47/98/388214798.db2.gz UHFPDZMOBBUJRO-AWEZNQCLSA-N 0 3 233.355 3.316 20 0 BGADHN CCOc1ccccc1CN(C)[C@@H]1CC1(C)C ZINC000489441929 388215275 /nfs/dbraw/zinc/21/52/75/388215275.db2.gz UHFPDZMOBBUJRO-CQSZACIVSA-N 0 3 233.355 3.316 20 0 BGADHN CN(Cc1cc(F)cc(F)c1)[C@@H]1CC1(C)C ZINC000489458461 388216550 /nfs/dbraw/zinc/21/65/50/388216550.db2.gz RYGIFPVMNVPIQU-GFCCVEGCSA-N 0 3 225.282 3.195 20 0 BGADHN CN(Cc1cc(F)cc(F)c1)[C@H]1CC1(C)C ZINC000489458463 388216102 /nfs/dbraw/zinc/21/61/02/388216102.db2.gz RYGIFPVMNVPIQU-LBPRGKRZSA-N 0 3 225.282 3.195 20 0 BGADHN CN(C/C=C/c1ccccc1)[C@@H]1CC1(C)C ZINC000489472720 388217000 /nfs/dbraw/zinc/21/70/00/388217000.db2.gz IQLNJDIKDFKBIJ-DNGMOHDESA-N 0 3 215.340 3.430 20 0 BGADHN CN(C/C=C\c1ccccc1)[C@@H]1CC1(C)C ZINC000489472721 388217508 /nfs/dbraw/zinc/21/75/08/388217508.db2.gz IQLNJDIKDFKBIJ-JKEYDSJLSA-N 0 3 215.340 3.430 20 0 BGADHN CN(C/C=C/c1ccccc1)[C@H]1CC1(C)C ZINC000489472723 388217411 /nfs/dbraw/zinc/21/74/11/388217411.db2.gz IQLNJDIKDFKBIJ-RNVIBTMRSA-N 0 3 215.340 3.430 20 0 BGADHN CN(C/C=C\c1ccccc1)[C@H]1CC1(C)C ZINC000489472725 388217329 /nfs/dbraw/zinc/21/73/29/388217329.db2.gz IQLNJDIKDFKBIJ-YHAOYDPOSA-N 0 3 215.340 3.430 20 0 BGADHN CN(Cc1cccc(F)c1)[C@@H]1CC1(C)C ZINC000489486534 388218121 /nfs/dbraw/zinc/21/81/21/388218121.db2.gz YYVYDSFFEKTXOS-GFCCVEGCSA-N 0 3 207.292 3.056 20 0 BGADHN CN(Cc1cccc(F)c1)[C@H]1CC1(C)C ZINC000489486535 388218688 /nfs/dbraw/zinc/21/86/88/388218688.db2.gz YYVYDSFFEKTXOS-LBPRGKRZSA-N 0 3 207.292 3.056 20 0 BGADHN CN(Cc1ccc(F)c(F)c1)[C@@H]1CC1(C)C ZINC000489490372 388218530 /nfs/dbraw/zinc/21/85/30/388218530.db2.gz AXFVXULHRGGVDO-GFCCVEGCSA-N 0 3 225.282 3.195 20 0 BGADHN CN(Cc1ccc(F)c(F)c1)[C@H]1CC1(C)C ZINC000489490373 388218784 /nfs/dbraw/zinc/21/87/84/388218784.db2.gz AXFVXULHRGGVDO-LBPRGKRZSA-N 0 3 225.282 3.195 20 0 BGADHN COc1ccc(CN(C)[C@@H]2CC2(C)C)cc1F ZINC000489499715 388218066 /nfs/dbraw/zinc/21/80/66/388218066.db2.gz MUMTWDSHKLSTHN-CYBMUJFWSA-N 0 3 237.318 3.065 20 0 BGADHN COc1ccc(CN(C)[C@H]2CC2(C)C)cc1F ZINC000489499716 388218927 /nfs/dbraw/zinc/21/89/27/388218927.db2.gz MUMTWDSHKLSTHN-ZDUSSCGKSA-N 0 3 237.318 3.065 20 0 BGADHN COCc1cccc(CN(C)[C@H]2CC2(C)C)c1 ZINC000489506686 388220097 /nfs/dbraw/zinc/22/00/97/388220097.db2.gz BSKIHOVVSCNDBF-AWEZNQCLSA-N 0 3 233.355 3.063 20 0 BGADHN COCc1cccc(CN(C)[C@@H]2CC2(C)C)c1 ZINC000489506688 388219310 /nfs/dbraw/zinc/21/93/10/388219310.db2.gz BSKIHOVVSCNDBF-CQSZACIVSA-N 0 3 233.355 3.063 20 0 BGADHN CCOc1ccc(CN(C)[C@H]2CC2(C)C)cc1 ZINC000489520529 388220367 /nfs/dbraw/zinc/22/03/67/388220367.db2.gz WJAJHJJVSUHIII-AWEZNQCLSA-N 0 3 233.355 3.316 20 0 BGADHN CCOc1ccc(CN(C)[C@@H]2CC2(C)C)cc1 ZINC000489520530 388220858 /nfs/dbraw/zinc/22/08/58/388220858.db2.gz WJAJHJJVSUHIII-CQSZACIVSA-N 0 3 233.355 3.316 20 0 BGADHN CN(CCc1ccccc1F)[C@@H]1CC1(C)C ZINC000489520553 388220845 /nfs/dbraw/zinc/22/08/45/388220845.db2.gz WNEYFAZTVQATMY-CYBMUJFWSA-N 0 3 221.319 3.099 20 0 BGADHN CN(CCc1ccccc1F)[C@H]1CC1(C)C ZINC000489520554 388220825 /nfs/dbraw/zinc/22/08/25/388220825.db2.gz WNEYFAZTVQATMY-ZDUSSCGKSA-N 0 3 221.319 3.099 20 0 BGADHN Fc1cccc(SCCN2CCCCC2)c1 ZINC000489643473 388223136 /nfs/dbraw/zinc/22/31/36/388223136.db2.gz BULWJKSFVZRSOK-UHFFFAOYSA-N 0 3 239.359 3.404 20 0 BGADHN COc1cc(C)nc(CN(C)C2(C)CCCC2)c1 ZINC000489851731 388226385 /nfs/dbraw/zinc/22/63/85/388226385.db2.gz XBMSVUYTFHWTFL-UHFFFAOYSA-N 0 3 248.370 3.163 20 0 BGADHN CN(Cc1ccncc1Cl)C1(C)CCCC1 ZINC000489857345 388225897 /nfs/dbraw/zinc/22/58/97/388225897.db2.gz XMQPSNIDWZPNCG-UHFFFAOYSA-N 0 3 238.762 3.500 20 0 BGADHN Fc1ccc(CCN2CCC23CCC3)cc1F ZINC000489859338 388226022 /nfs/dbraw/zinc/22/60/22/388226022.db2.gz BCCXBAZRZUQWDG-UHFFFAOYSA-N 0 3 237.293 3.136 20 0 BGADHN CC1(C)CCN(CCc2ccc(F)c(F)c2)C1 ZINC000489867052 388227490 /nfs/dbraw/zinc/22/74/90/388227490.db2.gz AAWAVYHWEBWEOV-UHFFFAOYSA-N 0 3 239.309 3.239 20 0 BGADHN CN(Cc1cn2ccccc2n1)C1(C)CCCC1 ZINC000489873113 388226719 /nfs/dbraw/zinc/22/67/19/388226719.db2.gz MWEDAKNPUVGKRW-UHFFFAOYSA-N 0 3 243.354 3.099 20 0 BGADHN CCCN(C)[C@H](COC)c1ccc(Cl)cc1 ZINC000490049899 388231890 /nfs/dbraw/zinc/23/18/90/388231890.db2.gz ZIPZIVZOCRUSFT-CYBMUJFWSA-N 0 3 241.762 3.369 20 0 BGADHN CCCN(C)[C@@H](COC)c1ccc(Cl)cc1 ZINC000490049902 388232375 /nfs/dbraw/zinc/23/23/75/388232375.db2.gz ZIPZIVZOCRUSFT-ZDUSSCGKSA-N 0 3 241.762 3.369 20 0 BGADHN C[C@@H]1CCCCN1CCc1ccc(F)c(F)c1 ZINC000490074189 388233265 /nfs/dbraw/zinc/23/32/65/388233265.db2.gz SSVQPOSNSHKXML-LLVKDONJSA-N 0 3 239.309 3.382 20 0 BGADHN C[C@H]1CCCCN1CCc1ccc(F)c(F)c1 ZINC000490074191 388233657 /nfs/dbraw/zinc/23/36/57/388233657.db2.gz SSVQPOSNSHKXML-NSHDSACASA-N 0 3 239.309 3.382 20 0 BGADHN C[C@@H]1CCCN(CCc2ccc(F)c(F)c2)C1 ZINC000490079210 388234102 /nfs/dbraw/zinc/23/41/02/388234102.db2.gz JHVUSOFZULKTMP-LLVKDONJSA-N 0 3 239.309 3.239 20 0 BGADHN C[C@H]1CCCN(CCc2ccc(F)c(F)c2)C1 ZINC000490079211 388234565 /nfs/dbraw/zinc/23/45/65/388234565.db2.gz JHVUSOFZULKTMP-NSHDSACASA-N 0 3 239.309 3.239 20 0 BGADHN CC1CCN(CCc2ccc(F)c(F)c2)CC1 ZINC000490080405 388234933 /nfs/dbraw/zinc/23/49/33/388234933.db2.gz NVFCTWGUXNVVFK-UHFFFAOYSA-N 0 3 239.309 3.239 20 0 BGADHN CCc1noc(C)c1CN(C)C1(C)CCCC1 ZINC000490106212 388235700 /nfs/dbraw/zinc/23/57/00/388235700.db2.gz SLPDDKCXSJPDQJ-UHFFFAOYSA-N 0 3 236.359 3.310 20 0 BGADHN Cc1cc(C(=O)CN(C)C2(C)CCCC2)c(C)[nH]1 ZINC000490163330 225509296 /nfs/dbraw/zinc/50/92/96/225509296.db2.gz ISVIADKLQNAJLV-UHFFFAOYSA-N 0 3 248.370 3.079 20 0 BGADHN CC(C)n1ccc(CN(C)C2(C)CCCC2)n1 ZINC000490252230 388237121 /nfs/dbraw/zinc/23/71/21/388237121.db2.gz RVQVTOUEBTZVLL-UHFFFAOYSA-N 0 3 235.375 3.229 20 0 BGADHN Cc1occc1CN(C)[C@H](C)C1(C)CC1 ZINC000490467424 388239516 /nfs/dbraw/zinc/23/95/16/388239516.db2.gz DCXIXKUIYPZPNR-LLVKDONJSA-N 0 3 207.317 3.208 20 0 BGADHN Cc1occc1CN(C)[C@@H](C)C1(C)CC1 ZINC000490467425 388239631 /nfs/dbraw/zinc/23/96/31/388239631.db2.gz DCXIXKUIYPZPNR-NSHDSACASA-N 0 3 207.317 3.208 20 0 BGADHN Cc1ccc(F)cc1CN1CCC(C)(C)C1 ZINC000490569881 388240857 /nfs/dbraw/zinc/24/08/57/388240857.db2.gz RCLLLHWZNYEZJA-UHFFFAOYSA-N 0 3 221.319 3.366 20 0 BGADHN CC[C@H]1C[C@H](C)CN1Cc1cccc(O)c1OC ZINC000490572308 388240537 /nfs/dbraw/zinc/24/05/37/388240537.db2.gz VESQNDKYHFQXOV-AAEUAGOBSA-N 0 3 249.354 3.021 20 0 BGADHN CC[C@@H]1C[C@@H](C)CN1Cc1cccc(O)c1OC ZINC000490572309 388241047 /nfs/dbraw/zinc/24/10/47/388241047.db2.gz VESQNDKYHFQXOV-DGCLKSJQSA-N 0 3 249.354 3.021 20 0 BGADHN CC[C@@H]1C[C@H](C)CN1Cc1cccc(O)c1OC ZINC000490572310 388240979 /nfs/dbraw/zinc/24/09/79/388240979.db2.gz VESQNDKYHFQXOV-WCQYABFASA-N 0 3 249.354 3.021 20 0 BGADHN CC[C@H]1C[C@@H](C)CN1Cc1cccc(O)c1OC ZINC000490572311 388240467 /nfs/dbraw/zinc/24/04/67/388240467.db2.gz VESQNDKYHFQXOV-YPMHNXCESA-N 0 3 249.354 3.021 20 0 BGADHN Cc1ccc(F)cc1CN1CC[C@H]1C(C)C ZINC000491010100 398031247 /nfs/dbraw/zinc/03/12/47/398031247.db2.gz SASFINUOYATFKV-AWEZNQCLSA-N 0 3 221.319 3.364 20 0 BGADHN Cc1ccc(F)cc1CN1CC[C@@H]1C(C)C ZINC000491010113 398031186 /nfs/dbraw/zinc/03/11/86/398031186.db2.gz SASFINUOYATFKV-CQSZACIVSA-N 0 3 221.319 3.364 20 0 BGADHN CC(C)(CF)NCc1ccc2c(c1)CCCC2 ZINC000491222847 527066736 /nfs/dbraw/zinc/06/67/36/527066736.db2.gz JZBUMJVBYIJPBX-UHFFFAOYSA-N 0 3 235.346 3.403 20 0 BGADHN CCOC[C@H](C)NCc1ccc2c(c1)CCCC2 ZINC000491222867 528976690 /nfs/dbraw/zinc/97/66/90/528976690.db2.gz KEQLYMGRBCRMKD-ZDUSSCGKSA-N 0 3 247.382 3.080 20 0 BGADHN CC(C)OCCNCc1ccc2c(c1)CCCC2 ZINC000491331610 388286099 /nfs/dbraw/zinc/28/60/99/388286099.db2.gz DWXPTCFALQHKLF-UHFFFAOYSA-N 0 3 247.382 3.080 20 0 BGADHN CCNC1c2ccccc2CCc2ccccc21 ZINC000491356154 388288207 /nfs/dbraw/zinc/28/82/07/388288207.db2.gz KMUSPBNFBVPJIB-UHFFFAOYSA-N 0 3 237.346 3.484 20 0 BGADHN CCCc1nc(C)c(CNCCCC(C)C)o1 ZINC000492026108 388331978 /nfs/dbraw/zinc/33/19/78/388331978.db2.gz XHPJDPOPJNWJGY-UHFFFAOYSA-N 0 3 238.375 3.461 20 0 BGADHN CCCc1nc(C)c(CN[C@@H]2CC[C@H](C)C2)o1 ZINC000492113769 388335338 /nfs/dbraw/zinc/33/53/38/388335338.db2.gz ZGRYBTAHEHQRJS-CMPLNLGQSA-N 0 3 236.359 3.214 20 0 BGADHN CCCc1nc(C)c(CN[C@H]2CC[C@H](C)C2)o1 ZINC000492113770 388335553 /nfs/dbraw/zinc/33/55/53/388335553.db2.gz ZGRYBTAHEHQRJS-JQWIXIFHSA-N 0 3 236.359 3.214 20 0 BGADHN CCCc1nc(C)c(CN[C@H]2CC[C@@H](C)C2)o1 ZINC000492113771 388335382 /nfs/dbraw/zinc/33/53/82/388335382.db2.gz ZGRYBTAHEHQRJS-PWSUYJOCSA-N 0 3 236.359 3.214 20 0 BGADHN CCCc1nc(C)c(CN[C@@H]2CC[C@@H](C)C2)o1 ZINC000492113772 388335493 /nfs/dbraw/zinc/33/54/93/388335493.db2.gz ZGRYBTAHEHQRJS-ZYHUDNBSSA-N 0 3 236.359 3.214 20 0 BGADHN CCCc1nc(C)c(CNC[C@H](C)CCC)o1 ZINC000492148968 388336575 /nfs/dbraw/zinc/33/65/75/388336575.db2.gz CRFYKAGSTBKFDC-LLVKDONJSA-N 0 3 238.375 3.461 20 0 BGADHN CCCc1nc(C)c(CNC[C@@H](C)CCC)o1 ZINC000492148969 388336503 /nfs/dbraw/zinc/33/65/03/388336503.db2.gz CRFYKAGSTBKFDC-NSHDSACASA-N 0 3 238.375 3.461 20 0 BGADHN CCCc1nc(C)c(CN[C@H](C)CC(C)C)o1 ZINC000492154587 388336571 /nfs/dbraw/zinc/33/65/71/388336571.db2.gz TWBCTOKSERMZSM-LLVKDONJSA-N 0 3 238.375 3.460 20 0 BGADHN CCCc1nc(C)c(CN[C@@H](C)CC(C)C)o1 ZINC000492154588 388336664 /nfs/dbraw/zinc/33/66/64/388336664.db2.gz TWBCTOKSERMZSM-NSHDSACASA-N 0 3 238.375 3.460 20 0 BGADHN CCCc1nc(C)c(CN[C@@H]2CCC[C@@H]2C)o1 ZINC000492228632 388338637 /nfs/dbraw/zinc/33/86/37/388338637.db2.gz XRCYTIVPJKOFBY-CMPLNLGQSA-N 0 3 236.359 3.214 20 0 BGADHN CCCc1nc(C)c(CN[C@H]2CCC[C@@H]2C)o1 ZINC000492228633 388338718 /nfs/dbraw/zinc/33/87/18/388338718.db2.gz XRCYTIVPJKOFBY-JQWIXIFHSA-N 0 3 236.359 3.214 20 0 BGADHN CCCc1nc(C)c(CN[C@H]2CCC[C@H]2C)o1 ZINC000492228634 388338690 /nfs/dbraw/zinc/33/86/90/388338690.db2.gz XRCYTIVPJKOFBY-PWSUYJOCSA-N 0 3 236.359 3.214 20 0 BGADHN CCCc1nc(C)c(CN[C@@H]2CCC[C@H]2C)o1 ZINC000492228635 388338657 /nfs/dbraw/zinc/33/86/57/388338657.db2.gz XRCYTIVPJKOFBY-ZYHUDNBSSA-N 0 3 236.359 3.214 20 0 BGADHN CCCc1nc(C)c(CNCC2(C)CCC2)o1 ZINC000492228828 388264618 /nfs/dbraw/zinc/26/46/18/388264618.db2.gz ZJUFMVQNQIKABB-UHFFFAOYSA-N 0 3 236.359 3.215 20 0 BGADHN CCCc1nc(C)c(CNC2CCCCC2)o1 ZINC000492312716 388341231 /nfs/dbraw/zinc/34/12/31/388341231.db2.gz MFGQLGBBWKABIW-UHFFFAOYSA-N 0 3 236.359 3.358 20 0 BGADHN CCCc1nc(C)c(CNCC(CC)CC)o1 ZINC000492378750 388342720 /nfs/dbraw/zinc/34/27/20/388342720.db2.gz UKZLGAMCNJVPIO-UHFFFAOYSA-N 0 3 238.375 3.461 20 0 BGADHN C[C@]1(F)CCN(CCCc2cccc(F)c2)C1 ZINC000492657246 226033950 /nfs/dbraw/zinc/03/39/50/226033950.db2.gz JWPCVWFIGVJLIW-AWEZNQCLSA-N 0 3 239.309 3.192 20 0 BGADHN C[C@@]1(F)CCN(CCCc2cccc(F)c2)C1 ZINC000492657250 226034121 /nfs/dbraw/zinc/03/41/21/226034121.db2.gz JWPCVWFIGVJLIW-CQSZACIVSA-N 0 3 239.309 3.192 20 0 BGADHN CCCC[C@H]1CCC[C@@H]1NCc1nccc(C)n1 ZINC000492817616 529003196 /nfs/dbraw/zinc/00/31/96/529003196.db2.gz LIAVFAKYUDYBAU-KBPBESRZSA-N 0 3 247.386 3.234 20 0 BGADHN CCCC[C@@H]1CCC[C@@H]1NCc1nccc(C)n1 ZINC000492817622 528870270 /nfs/dbraw/zinc/87/02/70/528870270.db2.gz LIAVFAKYUDYBAU-KGLIPLIRSA-N 0 3 247.386 3.234 20 0 BGADHN CCCC[C@H]1CCC[C@H]1NCc1nccc(C)n1 ZINC000492817623 529005108 /nfs/dbraw/zinc/00/51/08/529005108.db2.gz LIAVFAKYUDYBAU-UONOGXRCSA-N 0 3 247.386 3.234 20 0 BGADHN CCCC[C@@H]1CCC[C@H]1NCc1nccc(C)n1 ZINC000492817624 528874341 /nfs/dbraw/zinc/87/43/41/528874341.db2.gz LIAVFAKYUDYBAU-ZIAGYGMSSA-N 0 3 247.386 3.234 20 0 BGADHN CCCC[C@H]1CCC[C@@H]1NCc1ncc(C)cn1 ZINC000492821512 529003390 /nfs/dbraw/zinc/00/33/90/529003390.db2.gz ZEUGEJNLRLFHLW-KBPBESRZSA-N 0 3 247.386 3.234 20 0 BGADHN CCCC[C@@H]1CCC[C@@H]1NCc1ncc(C)cn1 ZINC000492821513 528869887 /nfs/dbraw/zinc/86/98/87/528869887.db2.gz ZEUGEJNLRLFHLW-KGLIPLIRSA-N 0 3 247.386 3.234 20 0 BGADHN CCCC[C@H]1CCC[C@H]1NCc1ncc(C)cn1 ZINC000492821514 529005093 /nfs/dbraw/zinc/00/50/93/529005093.db2.gz ZEUGEJNLRLFHLW-UONOGXRCSA-N 0 3 247.386 3.234 20 0 BGADHN CCCC[C@@H]1CCC[C@H]1NCc1ncc(C)cn1 ZINC000492821515 528874745 /nfs/dbraw/zinc/87/47/45/528874745.db2.gz ZEUGEJNLRLFHLW-ZIAGYGMSSA-N 0 3 247.386 3.234 20 0 BGADHN CCCC[C@H]1CCC[C@H]1NCc1cc(C)n(C)n1 ZINC000492848486 529005008 /nfs/dbraw/zinc/00/50/08/529005008.db2.gz WKEKUZXMJUQFAY-DZGCQCFKSA-N 0 3 249.402 3.177 20 0 BGADHN CCCC[C@@H]1CCC[C@@H]1NCc1cc(C)n(C)n1 ZINC000492848487 528869406 /nfs/dbraw/zinc/86/94/06/528869406.db2.gz WKEKUZXMJUQFAY-HIFRSBDPSA-N 0 3 249.402 3.177 20 0 BGADHN CCCC[C@@H]1CCC[C@H]1NCc1cc(C)n(C)n1 ZINC000492848488 528874631 /nfs/dbraw/zinc/87/46/31/528874631.db2.gz WKEKUZXMJUQFAY-UKRRQHHQSA-N 0 3 249.402 3.177 20 0 BGADHN CCCC[C@H]1CCC[C@@H]1NCc1cc(C)n(C)n1 ZINC000492848489 529003012 /nfs/dbraw/zinc/00/30/12/529003012.db2.gz WKEKUZXMJUQFAY-ZFWWWQNUSA-N 0 3 249.402 3.177 20 0 BGADHN CCCc1cccc(CN[C@@H](C)COCC)c1 ZINC000494226738 528637846 /nfs/dbraw/zinc/63/78/46/528637846.db2.gz JUKUJCSNQUIQRD-ZDUSSCGKSA-N 0 3 235.371 3.154 20 0 BGADHN C/C(=C/c1ccccc1)CN(C)CCC(C)(C)O ZINC000494261348 527504854 /nfs/dbraw/zinc/50/48/54/527504854.db2.gz FAYYGMKEHFRSNS-OWBHPGMISA-N 0 3 247.382 3.183 20 0 BGADHN C/C(=C\c1ccccc1)CN(C)CCC(C)(C)O ZINC000494261349 527532946 /nfs/dbraw/zinc/53/29/46/527532946.db2.gz FAYYGMKEHFRSNS-WYMLVPIESA-N 0 3 247.382 3.183 20 0 BGADHN C/C(=C\c1ccccc1)CN(C)CCCF ZINC000494263330 527532539 /nfs/dbraw/zinc/53/25/39/527532539.db2.gz XGAVDINNSWEHQX-ACCUITESSA-N 0 3 221.319 3.381 20 0 BGADHN C/C(=C/c1ccccc1)CN(C)CCCF ZINC000494263331 527505203 /nfs/dbraw/zinc/50/52/03/527505203.db2.gz XGAVDINNSWEHQX-QBFSEMIESA-N 0 3 221.319 3.381 20 0 BGADHN CCc1nc(C)c(CNC2CCC3(CC3)CC2)o1 ZINC000494302605 529725422 /nfs/dbraw/zinc/72/54/22/529725422.db2.gz BPRNNWHPYCMGNS-UHFFFAOYSA-N 0 3 248.370 3.358 20 0 BGADHN CN(C/C=C/c1ccncc1)Cc1ccccc1 ZINC000494338603 529820435 /nfs/dbraw/zinc/82/04/35/529820435.db2.gz KRDCCARCSYAMQR-VMPITWQZSA-N 0 3 238.334 3.227 20 0 BGADHN CN(C/C=C\c1ccncc1)Cc1ccccc1 ZINC000494338606 529820731 /nfs/dbraw/zinc/82/07/31/529820731.db2.gz KRDCCARCSYAMQR-YVMONPNESA-N 0 3 238.334 3.227 20 0 BGADHN CN(Cc1scnc1C1CC1)CC1CCC1 ZINC000494356717 538926451 /nfs/dbraw/zinc/92/64/51/538926451.db2.gz FUIUDHASZQVLPN-UHFFFAOYSA-N 0 3 236.384 3.252 20 0 BGADHN CCCN(CC)Cc1scnc1C1CC1 ZINC000494416751 538926262 /nfs/dbraw/zinc/92/62/62/538926262.db2.gz VEWZIYDETZIZFB-UHFFFAOYSA-N 0 3 224.373 3.252 20 0 BGADHN CCOc1ccc(CN(CC)CC)cc1F ZINC000494426936 528432682 /nfs/dbraw/zinc/43/26/82/528432682.db2.gz QORPLXVLVKUGKZ-UHFFFAOYSA-N 0 3 225.307 3.066 20 0 BGADHN CCC[C@@H](C)CNCc1cc(F)ccc1OC ZINC000494430145 528878668 /nfs/dbraw/zinc/87/86/68/528878668.db2.gz LWBGBFSKTWQHSB-LLVKDONJSA-N 0 3 239.334 3.360 20 0 BGADHN CCC[C@H](C)CNCc1cc(F)ccc1OC ZINC000494430148 528034305 /nfs/dbraw/zinc/03/43/05/528034305.db2.gz LWBGBFSKTWQHSB-NSHDSACASA-N 0 3 239.334 3.360 20 0 BGADHN Fc1cncc(CNC/C=C\c2ccccc2)c1 ZINC000494447117 226265140 /nfs/dbraw/zinc/26/51/40/226265140.db2.gz YDPPPTQCFRIREJ-DAXSKMNVSA-N 0 3 242.297 3.024 20 0 BGADHN Fc1cncc(CNC/C=C/c2ccccc2)c1 ZINC000494447119 226265219 /nfs/dbraw/zinc/26/52/19/226265219.db2.gz YDPPPTQCFRIREJ-QPJJXVBHSA-N 0 3 242.297 3.024 20 0 BGADHN CC[C@@H](NCc1cscc1C)c1cnn(C)c1 ZINC000494467857 529189765 /nfs/dbraw/zinc/18/97/65/529189765.db2.gz HUJFMKWFFHOGFK-CYBMUJFWSA-N 0 3 249.383 3.031 20 0 BGADHN CC[C@H](NCc1cscc1C)c1cnn(C)c1 ZINC000494467858 529636467 /nfs/dbraw/zinc/63/64/67/529636467.db2.gz HUJFMKWFFHOGFK-ZDUSSCGKSA-N 0 3 249.383 3.031 20 0 BGADHN Cc1ccc2cc([C@@H](C)NCCCCO)oc2c1 ZINC000494483893 534472602 /nfs/dbraw/zinc/47/26/02/534472602.db2.gz OROGDCAEDZOOQA-GFCCVEGCSA-N 0 3 247.338 3.164 20 0 BGADHN Cc1ccc2cc([C@H](C)NCCCCO)oc2c1 ZINC000494483894 534474201 /nfs/dbraw/zinc/47/42/01/534474201.db2.gz OROGDCAEDZOOQA-LBPRGKRZSA-N 0 3 247.338 3.164 20 0 BGADHN Fc1cncc(CN[C@H]2C[C@@H]2C2CCCCC2)c1 ZINC000494557475 226266324 /nfs/dbraw/zinc/26/63/24/226266324.db2.gz LXDSXTHXSWVKKN-CABCVRRESA-N 0 3 248.345 3.279 20 0 BGADHN Fc1cncc(CN[C@H]2C[C@H]2C2CCCCC2)c1 ZINC000494557482 323088673 /nfs/dbraw/zinc/08/86/73/323088673.db2.gz LXDSXTHXSWVKKN-GJZGRUSLSA-N 0 3 248.345 3.279 20 0 BGADHN Fc1cncc(CN[C@@H]2C[C@@H]2C2CCCCC2)c1 ZINC000494557485 323088708 /nfs/dbraw/zinc/08/87/08/323088708.db2.gz LXDSXTHXSWVKKN-HUUCEWRRSA-N 0 3 248.345 3.279 20 0 BGADHN Fc1cncc(CN[C@@H]2C[C@H]2C2CCCCC2)c1 ZINC000494557493 323088653 /nfs/dbraw/zinc/08/86/53/323088653.db2.gz LXDSXTHXSWVKKN-LSDHHAIUSA-N 0 3 248.345 3.279 20 0 BGADHN c1ccc(CN2CCC[C@H](OCC3CC3)C2)cc1 ZINC000494709623 226268787 /nfs/dbraw/zinc/26/87/87/226268787.db2.gz OFJVHSJLXVYZQQ-INIZCTEOSA-N 0 3 245.366 3.078 20 0 BGADHN c1ccc(CN2CCC[C@@H](OCC3CC3)C2)cc1 ZINC000494709625 226268761 /nfs/dbraw/zinc/26/87/61/226268761.db2.gz OFJVHSJLXVYZQQ-MRXNPFEDSA-N 0 3 245.366 3.078 20 0 BGADHN C[C@@H]1C[C@H](NC2(c3ccccc3F)CC2)[C@@H]1C ZINC000494811181 226270089 /nfs/dbraw/zinc/27/00/89/226270089.db2.gz PVBPYZNYTHCBHK-GYSYKLTISA-N 0 3 233.330 3.449 20 0 BGADHN C[C@@H]1C[C@@H](NC2(c3ccccc3F)CC2)[C@@H]1C ZINC000494811182 533640776 /nfs/dbraw/zinc/64/07/76/533640776.db2.gz PVBPYZNYTHCBHK-JTNHKYCSSA-N 0 3 233.330 3.449 20 0 BGADHN C[C@@H]1C[C@H](NC2(c3ccccc3F)CC2)[C@H]1C ZINC000494811183 226270052 /nfs/dbraw/zinc/27/00/52/226270052.db2.gz PVBPYZNYTHCBHK-SUNKGSAMSA-N 0 3 233.330 3.449 20 0 BGADHN C[C@@H]1C[C@@H](NC2(c3ccccc3F)CC2)[C@H]1C ZINC000494811184 533640489 /nfs/dbraw/zinc/64/04/89/533640489.db2.gz PVBPYZNYTHCBHK-UHIISALHSA-N 0 3 233.330 3.449 20 0 BGADHN CCCOc1ncccc1CN[C@@H]1C[C@@H](C)[C@@H]1C ZINC000494899923 528793181 /nfs/dbraw/zinc/79/31/81/528793181.db2.gz FZNHTJRCKNNYOI-MBNYWOFBSA-N 0 3 248.370 3.005 20 0 BGADHN CCCOc1ncccc1CN[C@@H]1C[C@H](C)[C@H]1C ZINC000494899924 528793533 /nfs/dbraw/zinc/79/35/33/528793533.db2.gz FZNHTJRCKNNYOI-OUCADQQQSA-N 0 3 248.370 3.005 20 0 BGADHN CCCOc1ncccc1CN[C@@H]1C[C@H](C)[C@@H]1C ZINC000494899925 528793744 /nfs/dbraw/zinc/79/37/44/528793744.db2.gz FZNHTJRCKNNYOI-SGMGOOAPSA-N 0 3 248.370 3.005 20 0 BGADHN CCCOc1ncccc1CN[C@@H]1C[C@@H](C)[C@H]1C ZINC000494899926 528793157 /nfs/dbraw/zinc/79/31/57/528793157.db2.gz FZNHTJRCKNNYOI-YRGRVCCFSA-N 0 3 248.370 3.005 20 0 BGADHN CCOc1ccc(CN2CC[C@@H](C)C2)cc1F ZINC000494920571 528433215 /nfs/dbraw/zinc/43/32/15/528433215.db2.gz FFZHPUXIAXEBLH-LLVKDONJSA-N 0 3 237.318 3.066 20 0 BGADHN CCOc1ccc(CN2CC[C@H](C)C2)cc1F ZINC000494920572 528436263 /nfs/dbraw/zinc/43/62/63/528436263.db2.gz FFZHPUXIAXEBLH-NSHDSACASA-N 0 3 237.318 3.066 20 0 BGADHN CCN(Cc1scnc1C1CC1)C1CCC1 ZINC000494926978 538927055 /nfs/dbraw/zinc/92/70/55/538927055.db2.gz WZNMJKHRSUADRS-UHFFFAOYSA-N 0 3 236.384 3.395 20 0 BGADHN C[C@@H]1C[C@H](N[C@H]2CCOc3ccc(F)cc32)[C@@H]1C ZINC000494927797 226271766 /nfs/dbraw/zinc/27/17/66/226271766.db2.gz BJEQYNGFMOIFPW-JYILRKAJSA-N 0 3 249.329 3.283 20 0 BGADHN C[C@@H]1C[C@H](N[C@@H]2CCOc3ccc(F)cc32)[C@@H]1C ZINC000494927798 533963483 /nfs/dbraw/zinc/96/34/83/533963483.db2.gz BJEQYNGFMOIFPW-MHWZDGSBSA-N 0 3 249.329 3.283 20 0 BGADHN C[C@@H]1C[C@H](N[C@H]2CCOc3ccc(F)cc32)[C@H]1C ZINC000494927799 226271874 /nfs/dbraw/zinc/27/18/74/226271874.db2.gz BJEQYNGFMOIFPW-OAACRXHESA-N 0 3 249.329 3.283 20 0 BGADHN C[C@@H]1C[C@H](N[C@@H]2CCOc3ccc(F)cc32)[C@H]1C ZINC000494927800 533964456 /nfs/dbraw/zinc/96/44/56/533964456.db2.gz BJEQYNGFMOIFPW-QOBDMFJFSA-N 0 3 249.329 3.283 20 0 BGADHN CN(Cc1scnc1C1CC1)C1CCC1 ZINC000494929481 538926896 /nfs/dbraw/zinc/92/68/96/538926896.db2.gz KQIVWRFLRVEJIK-UHFFFAOYSA-N 0 3 222.357 3.005 20 0 BGADHN CCCN(C)Cc1ccc(OCC)c(F)c1 ZINC000494929858 527853792 /nfs/dbraw/zinc/85/37/92/527853792.db2.gz KBIVDEMVXZVGSR-UHFFFAOYSA-N 0 3 225.307 3.066 20 0 BGADHN CCOc1ccc(CN(C)C2CCC2)cc1F ZINC000494934603 528429746 /nfs/dbraw/zinc/42/97/46/528429746.db2.gz XPAGTAYKSKPYPF-UHFFFAOYSA-N 0 3 237.318 3.209 20 0 BGADHN CC(C)C1CCN(C/C=C\c2ccncc2)CC1 ZINC000494951536 527651268 /nfs/dbraw/zinc/65/12/68/527651268.db2.gz OMRFOFOHIOIOGP-ARJAWSKDSA-N 0 3 244.382 3.463 20 0 BGADHN CC(C)C1CCN(C/C=C/c2ccncc2)CC1 ZINC000494951538 527651251 /nfs/dbraw/zinc/65/12/51/527651251.db2.gz OMRFOFOHIOIOGP-ONEGZZNKSA-N 0 3 244.382 3.463 20 0 BGADHN C[C@@H]1C[C@@H](N[C@@H]2CCOc3c(F)cccc32)[C@@H]1C ZINC000494956966 533658817 /nfs/dbraw/zinc/65/88/17/533658817.db2.gz NDKPWJATYLVCJP-DMTCVQMQSA-N 0 3 249.329 3.283 20 0 BGADHN C[C@@H]1C[C@H](N[C@H]2CCOc3c(F)cccc32)[C@@H]1C ZINC000494956968 226272526 /nfs/dbraw/zinc/27/25/26/226272526.db2.gz NDKPWJATYLVCJP-JYILRKAJSA-N 0 3 249.329 3.283 20 0 BGADHN C[C@@H]1C[C@H](N[C@@H]2CCOc3c(F)cccc32)[C@@H]1C ZINC000494956969 533965071 /nfs/dbraw/zinc/96/50/71/533965071.db2.gz NDKPWJATYLVCJP-MHWZDGSBSA-N 0 3 249.329 3.283 20 0 BGADHN C[C@@H]1C[C@H](N[C@H]2CCOc3c(F)cccc32)[C@H]1C ZINC000494956972 226272556 /nfs/dbraw/zinc/27/25/56/226272556.db2.gz NDKPWJATYLVCJP-OAACRXHESA-N 0 3 249.329 3.283 20 0 BGADHN C[C@@H]1C[C@H](N[C@@H]2CCOc3c(F)cccc32)[C@H]1C ZINC000494956975 533964374 /nfs/dbraw/zinc/96/43/74/533964374.db2.gz NDKPWJATYLVCJP-QOBDMFJFSA-N 0 3 249.329 3.283 20 0 BGADHN C[C@@H]1C[C@@H](N[C@@H]2CCOc3c(F)cccc32)[C@H]1C ZINC000494956978 533659187 /nfs/dbraw/zinc/65/91/87/533659187.db2.gz NDKPWJATYLVCJP-RDBQEKCUSA-N 0 3 249.329 3.283 20 0 BGADHN C[C@@H]1C[C@@H](N[C@H]2CCOc3c(F)cccc32)[C@H]1C ZINC000494956979 226272739 /nfs/dbraw/zinc/27/27/39/226272739.db2.gz NDKPWJATYLVCJP-XXSPCDMZSA-N 0 3 249.329 3.283 20 0 BGADHN C[C@@H]1C[C@@H](N[C@H]2CCOc3c(F)cccc32)[C@@H]1C ZINC000494956982 226272560 /nfs/dbraw/zinc/27/25/60/226272560.db2.gz NDKPWJATYLVCJP-XYHOJCAOSA-N 0 3 249.329 3.283 20 0 BGADHN CC[C@]1(C)CCN(C/C=C\c2ccncc2)C1 ZINC000494960531 529400211 /nfs/dbraw/zinc/40/02/11/529400211.db2.gz OPKOLBRYBYONQS-FOSCPCJNSA-N 0 3 230.355 3.217 20 0 BGADHN CC[C@]1(C)CCN(C/C=C/c2ccncc2)C1 ZINC000494960533 529400268 /nfs/dbraw/zinc/40/02/68/529400268.db2.gz OPKOLBRYBYONQS-MBVDDHJVSA-N 0 3 230.355 3.217 20 0 BGADHN CC[C@@]1(C)CCN(C/C=C/c2ccncc2)C1 ZINC000494960534 529527271 /nfs/dbraw/zinc/52/72/71/529527271.db2.gz OPKOLBRYBYONQS-RGDDUWESSA-N 0 3 230.355 3.217 20 0 BGADHN CC[C@@]1(C)CCN(C/C=C\c2ccncc2)C1 ZINC000494960535 529527280 /nfs/dbraw/zinc/52/72/80/529527280.db2.gz OPKOLBRYBYONQS-XVWMLYKFSA-N 0 3 230.355 3.217 20 0 BGADHN CCN(Cc1scnc1C1CC1)CC1CC1 ZINC000494960542 538927672 /nfs/dbraw/zinc/92/76/72/538927672.db2.gz XVECSKNQRBZACT-UHFFFAOYSA-N 0 3 236.384 3.252 20 0 BGADHN CCC1CCN(C/C=C\c2ccncc2)CC1 ZINC000494962911 527868644 /nfs/dbraw/zinc/86/86/44/527868644.db2.gz WUIVBMPTLGRNAU-ARJAWSKDSA-N 0 3 230.355 3.217 20 0 BGADHN CCC1CCN(C/C=C/c2ccncc2)CC1 ZINC000494962912 527869568 /nfs/dbraw/zinc/86/95/68/527869568.db2.gz WUIVBMPTLGRNAU-ONEGZZNKSA-N 0 3 230.355 3.217 20 0 BGADHN CC[C@H](C)CN(C)Cc1scnc1C1CC1 ZINC000494964270 538927619 /nfs/dbraw/zinc/92/76/19/538927619.db2.gz NYATZYUQRMBLPH-JTQLQIEISA-N 0 3 238.400 3.498 20 0 BGADHN CC[C@@H](C)CN(C)Cc1scnc1C1CC1 ZINC000494964271 538927517 /nfs/dbraw/zinc/92/75/17/538927517.db2.gz NYATZYUQRMBLPH-SNVBAGLBSA-N 0 3 238.400 3.498 20 0 BGADHN CCOc1ccc(CN2CCC[C@H]2C)cc1F ZINC000494964425 226272980 /nfs/dbraw/zinc/27/29/80/226272980.db2.gz PIEBTBFOYBPFCN-LLVKDONJSA-N 0 3 237.318 3.209 20 0 BGADHN CCOc1ccc(CN2CCC[C@@H]2C)cc1F ZINC000494964426 226272977 /nfs/dbraw/zinc/27/29/77/226272977.db2.gz PIEBTBFOYBPFCN-NSHDSACASA-N 0 3 237.318 3.209 20 0 BGADHN CC1(C)CCN(C/C=C\c2ccncc2)CC1 ZINC000494971270 529009029 /nfs/dbraw/zinc/00/90/29/529009029.db2.gz IYTCIKOIDMFNMR-ARJAWSKDSA-N 0 3 230.355 3.217 20 0 BGADHN CC1(C)CCN(C/C=C/c2ccncc2)CC1 ZINC000494971274 529008688 /nfs/dbraw/zinc/00/86/88/529008688.db2.gz IYTCIKOIDMFNMR-ONEGZZNKSA-N 0 3 230.355 3.217 20 0 BGADHN CC(C)CN(C)Cc1scnc1C1CC1 ZINC000494973310 538927725 /nfs/dbraw/zinc/92/77/25/538927725.db2.gz LUWQVVLBYHJDDZ-UHFFFAOYSA-N 0 3 224.373 3.108 20 0 BGADHN C[C@@H]1C[C@@H](NCc2ccc3c(n2)CCCC3)[C@H]1C ZINC000494975589 226273227 /nfs/dbraw/zinc/27/32/27/226273227.db2.gz FCYJUMGUDQIAOS-BFQNTYOBSA-N 0 3 244.382 3.095 20 0 BGADHN C[C@@H]1C[C@H](NCc2ccc3c(n2)CCCC3)[C@@H]1C ZINC000494975590 533954647 /nfs/dbraw/zinc/95/46/47/533954647.db2.gz FCYJUMGUDQIAOS-HSMVNMDESA-N 0 3 244.382 3.095 20 0 BGADHN C[C@@H]1C[C@H](NCc2ccc3c(n2)CCCC3)[C@H]1C ZINC000494975592 533953321 /nfs/dbraw/zinc/95/33/21/533953321.db2.gz FCYJUMGUDQIAOS-WQGACYEGSA-N 0 3 244.382 3.095 20 0 BGADHN C[C@@H]1C[C@@H](NCc2ccc3c(n2)CCCC3)[C@@H]1C ZINC000494975594 226273388 /nfs/dbraw/zinc/27/33/88/226273388.db2.gz FCYJUMGUDQIAOS-XHBSWPGZSA-N 0 3 244.382 3.095 20 0 BGADHN C[C@@H]1CCN(C/C=C\c2ccncc2)C[C@H]1C ZINC000494977248 534022084 /nfs/dbraw/zinc/02/20/84/534022084.db2.gz QSCIIFDJGMASKT-JHZNUDOXSA-N 0 3 230.355 3.073 20 0 BGADHN C[C@@H]1CCN(C/C=C/c2ccncc2)C[C@@H]1C ZINC000494977249 534024083 /nfs/dbraw/zinc/02/40/83/534024083.db2.gz QSCIIFDJGMASKT-JKWAOEONSA-N 0 3 230.355 3.073 20 0 BGADHN C[C@@H]1CCN(C/C=C/c2ccncc2)C[C@H]1C ZINC000494977250 534024031 /nfs/dbraw/zinc/02/40/31/534024031.db2.gz QSCIIFDJGMASKT-LSMGEYOZSA-N 0 3 230.355 3.073 20 0 BGADHN C[C@@H]1CCN(C/C=C\c2ccncc2)C[C@@H]1C ZINC000494977251 534022561 /nfs/dbraw/zinc/02/25/61/534022561.db2.gz QSCIIFDJGMASKT-TYHIMRJMSA-N 0 3 230.355 3.073 20 0 BGADHN CN(CCC1CC1)Cc1scnc1C1CC1 ZINC000494980415 538927545 /nfs/dbraw/zinc/92/75/45/538927545.db2.gz ZESFXEBKUARKRL-UHFFFAOYSA-N 0 3 236.384 3.252 20 0 BGADHN CC[C@H]1CCN(Cc2scnc2C2CC2)C1 ZINC000494980671 538927365 /nfs/dbraw/zinc/92/73/65/538927365.db2.gz OZJJHMAGKSXTIQ-JTQLQIEISA-N 0 3 236.384 3.252 20 0 BGADHN CC[C@@H]1CCN(Cc2scnc2C2CC2)C1 ZINC000494980672 538927553 /nfs/dbraw/zinc/92/75/53/538927553.db2.gz OZJJHMAGKSXTIQ-SNVBAGLBSA-N 0 3 236.384 3.252 20 0 BGADHN CC(C)N(Cc1scnc1C1CC1)C1CC1 ZINC000494981170 538927592 /nfs/dbraw/zinc/92/75/92/538927592.db2.gz QXWQNOARNDPQHI-UHFFFAOYSA-N 0 3 236.384 3.393 20 0 BGADHN CC[C@@H]1CCCN(C/C=C\c2ccncc2)C1 ZINC000494982665 529298559 /nfs/dbraw/zinc/29/85/59/529298559.db2.gz XAWZXGUZTBIJHG-KXQLTZBTSA-N 0 3 230.355 3.217 20 0 BGADHN CC[C@H]1CCCN(C/C=C\c2ccncc2)C1 ZINC000494982666 529217369 /nfs/dbraw/zinc/21/73/69/529217369.db2.gz XAWZXGUZTBIJHG-SDQPKGBYSA-N 0 3 230.355 3.217 20 0 BGADHN CC[C@@H]1CCCN(C/C=C/c2ccncc2)C1 ZINC000494982667 529298858 /nfs/dbraw/zinc/29/88/58/529298858.db2.gz XAWZXGUZTBIJHG-YVARQFDVSA-N 0 3 230.355 3.217 20 0 BGADHN CC[C@H]1CCCN(C/C=C/c2ccncc2)C1 ZINC000494982668 529217249 /nfs/dbraw/zinc/21/72/49/529217249.db2.gz XAWZXGUZTBIJHG-YVZNUBBCSA-N 0 3 230.355 3.217 20 0 BGADHN CC1(C)[C@@H]2CN(Cc3cc(Cl)cs3)C[C@@H]21 ZINC000494985998 527851418 /nfs/dbraw/zinc/85/14/18/527851418.db2.gz OQEWBZXEVMHWFA-PHIMTYICSA-N 0 3 241.787 3.489 20 0 BGADHN CCOc1c(Cl)cccc1CN(C)CC ZINC000494987397 528176986 /nfs/dbraw/zinc/17/69/86/528176986.db2.gz UEMIKXALZQZRLH-UHFFFAOYSA-N 0 3 227.735 3.190 20 0 BGADHN C[C@@H]1C[C@H](N[C@@H]2c3ccc(F)cc3O[C@H]2C)[C@@H]1C ZINC000494993638 533965188 /nfs/dbraw/zinc/96/51/88/533965188.db2.gz BVJBIARSEXRVMV-DRCMHCKCSA-N 0 3 249.329 3.282 20 0 BGADHN C[C@@H]1C[C@H](N[C@@H]2c3ccc(F)cc3O[C@@H]2C)[C@@H]1C ZINC000494993641 533963661 /nfs/dbraw/zinc/96/36/61/533963661.db2.gz BVJBIARSEXRVMV-FFXAHIJYSA-N 0 3 249.329 3.282 20 0 BGADHN C[C@@H]1C[C@H](N[C@@H]2c3ccc(F)cc3O[C@H]2C)[C@H]1C ZINC000494993643 533965124 /nfs/dbraw/zinc/96/51/24/533965124.db2.gz BVJBIARSEXRVMV-PLECTHQTSA-N 0 3 249.329 3.282 20 0 BGADHN C[C@@H]1C[C@H](N[C@@H]2c3ccc(F)cc3O[C@@H]2C)[C@H]1C ZINC000494993645 533963360 /nfs/dbraw/zinc/96/33/60/533963360.db2.gz BVJBIARSEXRVMV-WJNGYNTMSA-N 0 3 249.329 3.282 20 0 BGADHN C[C@H]1CN(Cc2cc(Cl)cs2)C[C@H]1C ZINC000495000816 533950887 /nfs/dbraw/zinc/95/08/87/533950887.db2.gz VRPDLKNWGFCZOC-DTORHVGOSA-N 0 3 229.776 3.489 20 0 BGADHN C[C@H]1CN(Cc2cc(Cl)cs2)C[C@@H]1C ZINC000495000817 533951582 /nfs/dbraw/zinc/95/15/82/533951582.db2.gz VRPDLKNWGFCZOC-IUCAKERBSA-N 0 3 229.776 3.489 20 0 BGADHN C[C@@H]1CN(Cc2cc(Cl)cs2)C[C@H]1C ZINC000495000818 226274311 /nfs/dbraw/zinc/27/43/11/226274311.db2.gz VRPDLKNWGFCZOC-RKDXNWHRSA-N 0 3 229.776 3.489 20 0 BGADHN CCCN(Cc1scnc1C1CC1)C1CC1 ZINC000495032540 538927657 /nfs/dbraw/zinc/92/76/57/538927657.db2.gz VSYQHDKBNSVJDH-UHFFFAOYSA-N 0 3 236.384 3.395 20 0 BGADHN CC(C)[C@H]1CCN1Cc1scnc1C1CC1 ZINC000495036901 538927695 /nfs/dbraw/zinc/92/76/95/538927695.db2.gz OPCPMIJQMXRRJP-LLVKDONJSA-N 0 3 236.384 3.251 20 0 BGADHN CC(C)[C@@H]1CCN1Cc1scnc1C1CC1 ZINC000495036902 538927439 /nfs/dbraw/zinc/92/74/39/538927439.db2.gz OPCPMIJQMXRRJP-NSHDSACASA-N 0 3 236.384 3.251 20 0 BGADHN CN(Cc1scnc1C1CC1)C1CCCC1 ZINC000495038808 538927663 /nfs/dbraw/zinc/92/76/63/538927663.db2.gz BFAYUQSHBDVAGZ-UHFFFAOYSA-N 0 3 236.384 3.395 20 0 BGADHN CCCCN(C)Cc1ccc(OCC)c(F)c1 ZINC000495046271 528359168 /nfs/dbraw/zinc/35/91/68/528359168.db2.gz GEMAXCAFODIULE-UHFFFAOYSA-N 0 3 239.334 3.456 20 0 BGADHN CCCCN(C)Cc1scnc1C1CC1 ZINC000495054025 538927355 /nfs/dbraw/zinc/92/73/55/538927355.db2.gz QSCMMLSKGBGXBU-UHFFFAOYSA-N 0 3 224.373 3.252 20 0 BGADHN Cc1ccc2c(c1C)OC[C@@H]2N[C@@H]1C[C@H](C)[C@@H]1C ZINC000495058681 534460775 /nfs/dbraw/zinc/46/07/75/534460775.db2.gz KJHMDCSTOIURKN-AZHAFVHUSA-N 0 3 245.366 3.371 20 0 BGADHN Cc1ccc2c(c1C)OC[C@@H]2N[C@@H]1C[C@@H](C)[C@@H]1C ZINC000495058682 534460099 /nfs/dbraw/zinc/46/00/99/534460099.db2.gz KJHMDCSTOIURKN-BVIHXZOGSA-N 0 3 245.366 3.371 20 0 BGADHN Cc1ccc2c(c1C)OC[C@@H]2N[C@@H]1C[C@H](C)[C@H]1C ZINC000495058683 534459524 /nfs/dbraw/zinc/45/95/24/534459524.db2.gz KJHMDCSTOIURKN-DRABBMOASA-N 0 3 245.366 3.371 20 0 BGADHN Cc1ccc2c(c1C)OC[C@@H]2N[C@@H]1C[C@@H](C)[C@H]1C ZINC000495058684 385668819 /nfs/dbraw/zinc/66/88/19/385668819.db2.gz KJHMDCSTOIURKN-FKGLVLAHSA-N 0 3 245.366 3.371 20 0 BGADHN Cc1ccc2nc(CN[C@@H]3C[C@H](C)[C@H]3C)[nH]c2c1 ZINC000495059000 534503714 /nfs/dbraw/zinc/50/37/14/534503714.db2.gz LVNBVUKRYMGTQE-DMDPSCGWSA-N 0 3 243.354 3.005 20 0 BGADHN Cc1ccc2[nH]c(CN[C@@H]3C[C@H](C)[C@H]3C)nc2c1 ZINC000495059000 534503705 /nfs/dbraw/zinc/50/37/05/534503705.db2.gz LVNBVUKRYMGTQE-DMDPSCGWSA-N 0 3 243.354 3.005 20 0 BGADHN Cc1ccc2nc(CN[C@@H]3C[C@H](C)[C@@H]3C)[nH]c2c1 ZINC000495059001 534504511 /nfs/dbraw/zinc/50/45/11/534504511.db2.gz LVNBVUKRYMGTQE-GMXVVIOVSA-N 0 3 243.354 3.005 20 0 BGADHN Cc1ccc2[nH]c(CN[C@@H]3C[C@H](C)[C@@H]3C)nc2c1 ZINC000495059001 534504504 /nfs/dbraw/zinc/50/45/04/534504504.db2.gz LVNBVUKRYMGTQE-GMXVVIOVSA-N 0 3 243.354 3.005 20 0 BGADHN Cc1ccc2nc(CN[C@@H]3C[C@@H](C)[C@H]3C)[nH]c2c1 ZINC000495059002 534504456 /nfs/dbraw/zinc/50/44/56/534504456.db2.gz LVNBVUKRYMGTQE-NQBHXWOUSA-N 0 3 243.354 3.005 20 0 BGADHN Cc1ccc2[nH]c(CN[C@@H]3C[C@@H](C)[C@H]3C)nc2c1 ZINC000495059002 534504453 /nfs/dbraw/zinc/50/44/53/534504453.db2.gz LVNBVUKRYMGTQE-NQBHXWOUSA-N 0 3 243.354 3.005 20 0 BGADHN Cc1ccc2nc(CN[C@@H]3C[C@@H](C)[C@@H]3C)[nH]c2c1 ZINC000495059003 534505101 /nfs/dbraw/zinc/50/51/01/534505101.db2.gz LVNBVUKRYMGTQE-NTZNESFSSA-N 0 3 243.354 3.005 20 0 BGADHN Cc1ccc2[nH]c(CN[C@@H]3C[C@@H](C)[C@@H]3C)nc2c1 ZINC000495059003 534505097 /nfs/dbraw/zinc/50/50/97/534505097.db2.gz LVNBVUKRYMGTQE-NTZNESFSSA-N 0 3 243.354 3.005 20 0 BGADHN CC(C)[C@H](C)N(C)Cc1scnc1C1CC1 ZINC000495064733 538927626 /nfs/dbraw/zinc/92/76/26/538927626.db2.gz YQVDVCDDFIKDEY-JTQLQIEISA-N 0 3 238.400 3.497 20 0 BGADHN CC(C)[C@@H](C)N(C)Cc1scnc1C1CC1 ZINC000495064734 538927599 /nfs/dbraw/zinc/92/75/99/538927599.db2.gz YQVDVCDDFIKDEY-SNVBAGLBSA-N 0 3 238.400 3.497 20 0 BGADHN C[C@H](C1CC1)N(C)Cc1scnc1C1CC1 ZINC000495071832 538927407 /nfs/dbraw/zinc/92/74/07/538927407.db2.gz YNFFDPRBUCMGFX-SECBINFHSA-N 0 3 236.384 3.251 20 0 BGADHN C[C@@H](C1CC1)N(C)Cc1scnc1C1CC1 ZINC000495071833 538927530 /nfs/dbraw/zinc/92/75/30/538927530.db2.gz YNFFDPRBUCMGFX-VIFPVBQESA-N 0 3 236.384 3.251 20 0 BGADHN CN(C/C=C/c1ccncc1)Cc1cccs1 ZINC000495072941 529820446 /nfs/dbraw/zinc/82/04/46/529820446.db2.gz VLOZPZMCXXVBHZ-DUXPYHPUSA-N 0 3 244.363 3.288 20 0 BGADHN CN(C/C=C\c1ccncc1)Cc1cccs1 ZINC000495072942 529820792 /nfs/dbraw/zinc/82/07/92/529820792.db2.gz VLOZPZMCXXVBHZ-RQOWECAXSA-N 0 3 244.363 3.288 20 0 BGADHN CCN(Cc1scnc1C1CC1)CC(C)C ZINC000495080914 538927718 /nfs/dbraw/zinc/92/77/18/538927718.db2.gz SSTAIAHGGCXWCR-UHFFFAOYSA-N 0 3 238.400 3.498 20 0 BGADHN CCN(Cc1scnc1C1CC1)C(C)C ZINC000495091295 538927560 /nfs/dbraw/zinc/92/75/60/538927560.db2.gz COWXUJKZBMZXFV-UHFFFAOYSA-N 0 3 224.373 3.251 20 0 BGADHN CCOc1ccc(CN(CC)C2CC2)cc1F ZINC000495093759 528432701 /nfs/dbraw/zinc/43/27/01/528432701.db2.gz QOYWZNCLFGXMMK-UHFFFAOYSA-N 0 3 237.318 3.209 20 0 BGADHN CC[C@H](N[C@@H]1C[C@@H](C)[C@@H]1C)c1c(C)noc1C ZINC000495095073 529662852 /nfs/dbraw/zinc/66/28/52/529662852.db2.gz WDIJCYDSBMEHSQ-FIDNZITISA-N 0 3 236.359 3.377 20 0 BGADHN CC[C@H](N[C@@H]1C[C@H](C)[C@H]1C)c1c(C)noc1C ZINC000495095074 529662951 /nfs/dbraw/zinc/66/29/51/529662951.db2.gz WDIJCYDSBMEHSQ-GAQJKIJGSA-N 0 3 236.359 3.377 20 0 BGADHN CC[C@H](N[C@@H]1C[C@@H](C)[C@H]1C)c1c(C)noc1C ZINC000495095075 529662652 /nfs/dbraw/zinc/66/26/52/529662652.db2.gz WDIJCYDSBMEHSQ-MNUQUWEESA-N 0 3 236.359 3.377 20 0 BGADHN CC[C@H](N[C@@H]1C[C@H](C)[C@@H]1C)c1c(C)noc1C ZINC000495095076 529662611 /nfs/dbraw/zinc/66/26/11/529662611.db2.gz WDIJCYDSBMEHSQ-WTTBSCSTSA-N 0 3 236.359 3.377 20 0 BGADHN CC[C@@H](C)N(C)Cc1scnc1C1CC1 ZINC000495101198 538927577 /nfs/dbraw/zinc/92/75/77/538927577.db2.gz XRPUYNOTZQPCKZ-SECBINFHSA-N 0 3 224.373 3.251 20 0 BGADHN CC[C@H](C)N(C)Cc1scnc1C1CC1 ZINC000495101199 538927449 /nfs/dbraw/zinc/92/74/49/538927449.db2.gz XRPUYNOTZQPCKZ-VIFPVBQESA-N 0 3 224.373 3.251 20 0 BGADHN CC1(C)CCCN(C/C=C/c2ccncc2)C1 ZINC000495153178 528932232 /nfs/dbraw/zinc/93/22/32/528932232.db2.gz CUEUDJHOHQRTDN-HWKANZROSA-N 0 3 230.355 3.217 20 0 BGADHN CC1(C)CCCN(C/C=C\c2ccncc2)C1 ZINC000495153180 528932042 /nfs/dbraw/zinc/93/20/42/528932042.db2.gz CUEUDJHOHQRTDN-HYXAFXHYSA-N 0 3 230.355 3.217 20 0 BGADHN CN(Cc1scnc1C1CC1)CC(C)(C)C ZINC000495165677 538927984 /nfs/dbraw/zinc/92/79/84/538927984.db2.gz FNSSFNFCDQKGKL-UHFFFAOYSA-N 0 3 238.400 3.498 20 0 BGADHN CC1(C)CC[C@@H](CNC/C=C\c2ccccc2)O1 ZINC000495178055 529024776 /nfs/dbraw/zinc/02/47/76/529024776.db2.gz XMIMRUBDOSORSX-AJHXJQRKSA-N 0 3 245.366 3.247 20 0 BGADHN CC1(C)CC[C@H](CNC/C=C\c2ccccc2)O1 ZINC000495178056 529043009 /nfs/dbraw/zinc/04/30/09/529043009.db2.gz XMIMRUBDOSORSX-WUKHSURWSA-N 0 3 245.366 3.247 20 0 BGADHN CCCCOCCN1CCCc2ccccc2C1 ZINC000498903799 528591016 /nfs/dbraw/zinc/59/10/16/528591016.db2.gz CYXAAWMKJPEDHB-UHFFFAOYSA-N 0 3 247.382 3.252 20 0 BGADHN C(CN1CCOC2(CCC2)C1)C1CCCCC1 ZINC000499249717 527482533 /nfs/dbraw/zinc/48/25/33/527482533.db2.gz VNDBMWRSTPVLII-UHFFFAOYSA-N 0 3 237.387 3.212 20 0 BGADHN CC(C)C[C@@H](C)CN1CCc2ccc(O)cc2C1 ZINC000499537401 528252297 /nfs/dbraw/zinc/25/22/97/528252297.db2.gz IBUDXINGKRLDKT-CYBMUJFWSA-N 0 3 247.382 3.433 20 0 BGADHN CC(C)C[C@H](C)CN1CCc2ccc(O)cc2C1 ZINC000499537402 528460919 /nfs/dbraw/zinc/46/09/19/528460919.db2.gz IBUDXINGKRLDKT-ZDUSSCGKSA-N 0 3 247.382 3.433 20 0 BGADHN CC(C)[C@H]1CN(CCCC(C)(C)C)CCO1 ZINC000499619868 527854683 /nfs/dbraw/zinc/85/46/83/527854683.db2.gz OPDGSNDQMPQFDH-CYBMUJFWSA-N 0 3 227.392 3.170 20 0 BGADHN CC(C)[C@@H]1CN(CCCC(C)(C)C)CCO1 ZINC000499619869 528745621 /nfs/dbraw/zinc/74/56/21/528745621.db2.gz OPDGSNDQMPQFDH-ZDUSSCGKSA-N 0 3 227.392 3.170 20 0 BGADHN Cc1cc(N2CC[C@](C)(F)C2)c2ccccc2n1 ZINC000499656601 533910468 /nfs/dbraw/zinc/91/04/68/533910468.db2.gz LJBRVBUDBCLONE-HNNXBMFYSA-N 0 3 244.313 3.482 20 0 BGADHN Cc1cc(N2CC[C@@](C)(F)C2)c2ccccc2n1 ZINC000499656618 226324260 /nfs/dbraw/zinc/32/42/60/226324260.db2.gz LJBRVBUDBCLONE-OAHLLOKOSA-N 0 3 244.313 3.482 20 0 BGADHN CC(C)[C@H]1CCCN(Cc2ccnn2C(C)C)C1 ZINC000499697506 527777759 /nfs/dbraw/zinc/77/77/59/527777759.db2.gz UXTRMRUMKRZDMR-AWEZNQCLSA-N 0 3 249.402 3.332 20 0 BGADHN CC(C)[C@@H]1CCCN(Cc2ccnn2C(C)C)C1 ZINC000499697507 528667060 /nfs/dbraw/zinc/66/70/60/528667060.db2.gz UXTRMRUMKRZDMR-CQSZACIVSA-N 0 3 249.402 3.332 20 0 BGADHN CC(C)C[C@@H](C)CN1CCc2ncsc2C1 ZINC000499705352 528251672 /nfs/dbraw/zinc/25/16/72/528251672.db2.gz BSHVYKDPBNSYEX-LLVKDONJSA-N 0 3 238.400 3.183 20 0 BGADHN CC(C)C[C@H](C)CN1CCc2ncsc2C1 ZINC000499705360 528459848 /nfs/dbraw/zinc/45/98/48/528459848.db2.gz BSHVYKDPBNSYEX-NSHDSACASA-N 0 3 238.400 3.183 20 0 BGADHN C[C@H]1CN(CCCC(C)(C)C)C[C@H](C2CC2)O1 ZINC000499777018 533928013 /nfs/dbraw/zinc/92/80/13/533928013.db2.gz YFCAKZXDPLEQOT-GXTWGEPZSA-N 0 3 239.403 3.312 20 0 BGADHN C[C@H]1CN(CCCC(C)(C)C)C[C@@H](C2CC2)O1 ZINC000499777020 533928080 /nfs/dbraw/zinc/92/80/80/533928080.db2.gz YFCAKZXDPLEQOT-JSGCOSHPSA-N 0 3 239.403 3.312 20 0 BGADHN C[C@@H]1CN(CCCC(C)(C)C)C[C@@H](C2CC2)O1 ZINC000499777026 226324650 /nfs/dbraw/zinc/32/46/50/226324650.db2.gz YFCAKZXDPLEQOT-OCCSQVGLSA-N 0 3 239.403 3.312 20 0 BGADHN C[C@@H]1CN(CCCC(C)(C)C)C[C@H](C2CC2)O1 ZINC000499777029 226324676 /nfs/dbraw/zinc/32/46/76/226324676.db2.gz YFCAKZXDPLEQOT-TZMCWYRMSA-N 0 3 239.403 3.312 20 0 BGADHN CC[C@@H](C)N(CCC(C)(C)CC)CC(=O)OC ZINC000499796917 529348017 /nfs/dbraw/zinc/34/80/17/529348017.db2.gz HQNVTRUYOMTLAF-GFCCVEGCSA-N 0 3 243.391 3.086 20 0 BGADHN CC[C@H](C)N(CCC(C)(C)CC)CC(=O)OC ZINC000499796919 529693477 /nfs/dbraw/zinc/69/34/77/529693477.db2.gz HQNVTRUYOMTLAF-LBPRGKRZSA-N 0 3 243.391 3.086 20 0 BGADHN CC(C)COCCNC1(c2ccccc2)CCC1 ZINC000500093189 528096801 /nfs/dbraw/zinc/09/68/01/528096801.db2.gz YFEMKBGBZLEVIP-UHFFFAOYSA-N 0 3 247.382 3.328 20 0 BGADHN CC[C@@H](C)N1CCOC2(C1)CCCCCC2 ZINC000500130907 529356775 /nfs/dbraw/zinc/35/67/75/529356775.db2.gz GVVPHHPEUDROKJ-CYBMUJFWSA-N 0 3 225.376 3.210 20 0 BGADHN CC[C@H](C)N1CCOC2(C1)CCCCCC2 ZINC000500130908 529702257 /nfs/dbraw/zinc/70/22/57/529702257.db2.gz GVVPHHPEUDROKJ-ZDUSSCGKSA-N 0 3 225.376 3.210 20 0 BGADHN CC(C)OC[C@@H](C)NC/C=C/c1ccccc1 ZINC000500368641 527997651 /nfs/dbraw/zinc/99/76/51/527997651.db2.gz FFOHKXRZRRAUCJ-DNGMOHDESA-N 0 3 233.355 3.103 20 0 BGADHN CC(C)OC[C@@H](C)NC/C=C\c1ccccc1 ZINC000500368643 527998260 /nfs/dbraw/zinc/99/82/60/527998260.db2.gz FFOHKXRZRRAUCJ-JKEYDSJLSA-N 0 3 233.355 3.103 20 0 BGADHN CC(C)OC[C@H](C)NC/C=C/c1ccccc1 ZINC000500368644 528015139 /nfs/dbraw/zinc/01/51/39/528015139.db2.gz FFOHKXRZRRAUCJ-RNVIBTMRSA-N 0 3 233.355 3.103 20 0 BGADHN CC(C)OC[C@H](C)NC/C=C\c1ccccc1 ZINC000500368646 528014238 /nfs/dbraw/zinc/01/42/38/528014238.db2.gz FFOHKXRZRRAUCJ-YHAOYDPOSA-N 0 3 233.355 3.103 20 0 BGADHN CCc1cc(OC)ccc1CNCC=C(C)C ZINC000500417144 529567933 /nfs/dbraw/zinc/56/79/33/529567933.db2.gz QNIHPWVGCIJYNT-UHFFFAOYSA-N 0 3 233.355 3.313 20 0 BGADHN Cc1cc([C@H](C)NC[C@@H]2CCCC[C@@H]2C)no1 ZINC000500474730 226325970 /nfs/dbraw/zinc/32/59/70/226325970.db2.gz IBRLADZHENBKOW-DRZSPHRISA-N 0 3 236.359 3.460 20 0 BGADHN Cc1cc([C@H](C)NC[C@H]2CCCC[C@H]2C)no1 ZINC000500474731 226325892 /nfs/dbraw/zinc/32/58/92/226325892.db2.gz IBRLADZHENBKOW-KGYLQXTDSA-N 0 3 236.359 3.460 20 0 BGADHN Cc1cc([C@H](C)NC[C@H]2CCCC[C@@H]2C)no1 ZINC000500474732 226325980 /nfs/dbraw/zinc/32/59/80/226325980.db2.gz IBRLADZHENBKOW-WCFLWFBJSA-N 0 3 236.359 3.460 20 0 BGADHN Cc1cc([C@H](C)NC[C@@H]2CCCC[C@H]2C)no1 ZINC000500474733 226325995 /nfs/dbraw/zinc/32/59/95/226325995.db2.gz IBRLADZHENBKOW-WXHSDQCUSA-N 0 3 236.359 3.460 20 0 BGADHN CCOCCN(C)C/C(C)=C\c1ccccc1 ZINC000500733236 528712801 /nfs/dbraw/zinc/71/28/01/528712801.db2.gz PHRXQJRJAQIPEO-OWBHPGMISA-N 0 3 233.355 3.058 20 0 BGADHN CCC[C@@H](C)N1CCc2c(F)cccc2C1 ZINC000500982884 528890990 /nfs/dbraw/zinc/89/09/90/528890990.db2.gz ZLMRDDVJVKWPRV-LLVKDONJSA-N 0 3 221.319 3.372 20 0 BGADHN CCC[C@H](C)N1CCc2c(F)cccc2C1 ZINC000500982898 528051762 /nfs/dbraw/zinc/05/17/62/528051762.db2.gz ZLMRDDVJVKWPRV-NSHDSACASA-N 0 3 221.319 3.372 20 0 BGADHN CCC[C@@H](C)N[C@H](COC)c1ccc(F)cc1 ZINC000500990635 528900632 /nfs/dbraw/zinc/90/06/32/528900632.db2.gz RJAMKFUUTJYWEM-BXUZGUMPSA-N 0 3 239.334 3.291 20 0 BGADHN CCC[C@H](C)N[C@@H](COC)c1ccc(F)cc1 ZINC000500990636 528066784 /nfs/dbraw/zinc/06/67/84/528066784.db2.gz RJAMKFUUTJYWEM-FZMZJTMJSA-N 0 3 239.334 3.291 20 0 BGADHN CCC[C@@H](C)N[C@@H](COC)c1ccc(F)cc1 ZINC000500990637 528900765 /nfs/dbraw/zinc/90/07/65/528900765.db2.gz RJAMKFUUTJYWEM-RISCZKNCSA-N 0 3 239.334 3.291 20 0 BGADHN CCC[C@H](C)N[C@H](COC)c1ccc(F)cc1 ZINC000500990638 528068436 /nfs/dbraw/zinc/06/84/36/528068436.db2.gz RJAMKFUUTJYWEM-SMDDNHRTSA-N 0 3 239.334 3.291 20 0 BGADHN CCC[C@@H](C)N1CCc2cccc(F)c2C1 ZINC000501007495 528891276 /nfs/dbraw/zinc/89/12/76/528891276.db2.gz NBXVSDYABPKCDJ-LLVKDONJSA-N 0 3 221.319 3.372 20 0 BGADHN CCC[C@H](C)N1CCc2cccc(F)c2C1 ZINC000501007496 528052368 /nfs/dbraw/zinc/05/23/68/528052368.db2.gz NBXVSDYABPKCDJ-NSHDSACASA-N 0 3 221.319 3.372 20 0 BGADHN CCCCN1[C@@H](C)COC[C@@H]1c1ccccc1 ZINC000501021354 528488062 /nfs/dbraw/zinc/48/80/62/528488062.db2.gz OSBYHHNYRTXKSW-DZGCQCFKSA-N 0 3 233.355 3.249 20 0 BGADHN CCCCN1[C@H](C)COC[C@H]1c1ccccc1 ZINC000501021356 528488674 /nfs/dbraw/zinc/48/86/74/528488674.db2.gz OSBYHHNYRTXKSW-HIFRSBDPSA-N 0 3 233.355 3.249 20 0 BGADHN CCCCN1[C@H](C)COC[C@@H]1c1ccccc1 ZINC000501021358 528488539 /nfs/dbraw/zinc/48/85/39/528488539.db2.gz OSBYHHNYRTXKSW-UKRRQHHQSA-N 0 3 233.355 3.249 20 0 BGADHN CCCCN1[C@H](c2ccccc2)COC[C@@H]1C ZINC000501021360 528487430 /nfs/dbraw/zinc/48/74/30/528487430.db2.gz OSBYHHNYRTXKSW-ZFWWWQNUSA-N 0 3 233.355 3.249 20 0 BGADHN CC[C@H](C)N1CCO[C@@H](C2CCCCC2)C1 ZINC000501021840 529702242 /nfs/dbraw/zinc/70/22/42/529702242.db2.gz HZEWUPVEKNYNKF-GXTWGEPZSA-N 0 3 225.376 3.066 20 0 BGADHN CC[C@H](C)N1CCO[C@H](C2CCCCC2)C1 ZINC000501021841 529701952 /nfs/dbraw/zinc/70/19/52/529701952.db2.gz HZEWUPVEKNYNKF-JSGCOSHPSA-N 0 3 225.376 3.066 20 0 BGADHN CC[C@@H](C)N1CCO[C@H](C2CCCCC2)C1 ZINC000501021842 529356893 /nfs/dbraw/zinc/35/68/93/529356893.db2.gz HZEWUPVEKNYNKF-OCCSQVGLSA-N 0 3 225.376 3.066 20 0 BGADHN CC[C@@H](C)N1CCO[C@@H](C2CCCCC2)C1 ZINC000501021843 529356720 /nfs/dbraw/zinc/35/67/20/529356720.db2.gz HZEWUPVEKNYNKF-TZMCWYRMSA-N 0 3 225.376 3.066 20 0 BGADHN CC(C)CCN1[C@H](C)COC[C@@H]1c1ccccc1 ZINC000501027740 527729064 /nfs/dbraw/zinc/72/90/64/527729064.db2.gz LOCIEQLJUUHPFL-GDBMZVCRSA-N 0 3 247.382 3.495 20 0 BGADHN CC(C)CCN1[C@@H](C)COC[C@@H]1c1ccccc1 ZINC000501027741 527728669 /nfs/dbraw/zinc/72/86/69/527728669.db2.gz LOCIEQLJUUHPFL-GOEBONIOSA-N 0 3 247.382 3.495 20 0 BGADHN CC(C)CCN1[C@H](c2ccccc2)COC[C@@H]1C ZINC000501027742 527729020 /nfs/dbraw/zinc/72/90/20/527729020.db2.gz LOCIEQLJUUHPFL-HOCLYGCPSA-N 0 3 247.382 3.495 20 0 BGADHN CC(C)CCN1[C@H](C)COC[C@H]1c1ccccc1 ZINC000501027743 527728783 /nfs/dbraw/zinc/72/87/83/527728783.db2.gz LOCIEQLJUUHPFL-ZBFHGGJFSA-N 0 3 247.382 3.495 20 0 BGADHN CCC[C@@H](C)N1CCO[C@H](Cc2ccccc2)C1 ZINC000501031834 528892010 /nfs/dbraw/zinc/89/20/10/528892010.db2.gz LAFSLEPOKXAFDX-GDBMZVCRSA-N 0 3 247.382 3.119 20 0 BGADHN CCC[C@H](C)N1CCO[C@H](Cc2ccccc2)C1 ZINC000501031837 528050870 /nfs/dbraw/zinc/05/08/70/528050870.db2.gz LAFSLEPOKXAFDX-GOEBONIOSA-N 0 3 247.382 3.119 20 0 BGADHN CCC[C@H](C)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000501031840 528050758 /nfs/dbraw/zinc/05/07/58/528050758.db2.gz LAFSLEPOKXAFDX-HOCLYGCPSA-N 0 3 247.382 3.119 20 0 BGADHN CCC[C@@H](C)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000501031842 528891133 /nfs/dbraw/zinc/89/11/33/528891133.db2.gz LAFSLEPOKXAFDX-ZBFHGGJFSA-N 0 3 247.382 3.119 20 0 BGADHN CCC[C@@H](C)N1CCc2ccc(F)cc2C1 ZINC000501033511 528891616 /nfs/dbraw/zinc/89/16/16/528891616.db2.gz TWOZBVQDAXUAIT-LLVKDONJSA-N 0 3 221.319 3.372 20 0 BGADHN CCC[C@H](C)N1CCc2ccc(F)cc2C1 ZINC000501033512 528051712 /nfs/dbraw/zinc/05/17/12/528051712.db2.gz TWOZBVQDAXUAIT-NSHDSACASA-N 0 3 221.319 3.372 20 0 BGADHN CCC[C@@H](C)N1CCc2cc(F)ccc2C1 ZINC000501056882 528891006 /nfs/dbraw/zinc/89/10/06/528891006.db2.gz FNIUQHZKZZUCDE-LLVKDONJSA-N 0 3 221.319 3.372 20 0 BGADHN CCC[C@H](C)N1CCc2cc(F)ccc2C1 ZINC000501056884 528052688 /nfs/dbraw/zinc/05/26/88/528052688.db2.gz FNIUQHZKZZUCDE-NSHDSACASA-N 0 3 221.319 3.372 20 0 BGADHN CCC[C@@H](C)N1CC=C(C(F)(F)F)CC1 ZINC000501061974 528890415 /nfs/dbraw/zinc/89/04/15/528890415.db2.gz WFMRKPKKORRKTE-SECBINFHSA-N 0 3 221.266 3.369 20 0 BGADHN CCC[C@H](C)N1CC=C(C(F)(F)F)CC1 ZINC000501061975 528049008 /nfs/dbraw/zinc/04/90/08/528049008.db2.gz WFMRKPKKORRKTE-VIFPVBQESA-N 0 3 221.266 3.369 20 0 BGADHN CC[C@H](C)N1CCN(c2cccc(C)c2C)CC1 ZINC000501136403 529701227 /nfs/dbraw/zinc/70/12/27/529701227.db2.gz RYKQWTUBYLBUTE-AWEZNQCLSA-N 0 3 246.398 3.224 20 0 BGADHN CC[C@@H](C)N1CCN(c2cccc(C)c2C)CC1 ZINC000501136404 529357105 /nfs/dbraw/zinc/35/71/05/529357105.db2.gz RYKQWTUBYLBUTE-CQSZACIVSA-N 0 3 246.398 3.224 20 0 BGADHN CC(C)c1ccc(CN(C)C[C@H]2CCCO2)cc1 ZINC000501363744 528093088 /nfs/dbraw/zinc/09/30/88/528093088.db2.gz RVUBXABJYLWCNK-MRXNPFEDSA-N 0 3 247.382 3.421 20 0 BGADHN C[C@]1(F)CCN([C@@H]2CCCc3ccccc32)C1 ZINC000501392373 226327752 /nfs/dbraw/zinc/32/77/52/226327752.db2.gz IUYROEHGKPYBQL-CABCVRRESA-N 0 3 233.330 3.498 20 0 BGADHN C[C@]1(F)CCN([C@H]2CCCc3ccccc32)C1 ZINC000501392375 226327959 /nfs/dbraw/zinc/32/79/59/226327959.db2.gz IUYROEHGKPYBQL-GJZGRUSLSA-N 0 3 233.330 3.498 20 0 BGADHN C[C@@]1(F)CCN([C@@H]2CCCc3ccccc32)C1 ZINC000501392377 226327921 /nfs/dbraw/zinc/32/79/21/226327921.db2.gz IUYROEHGKPYBQL-HUUCEWRRSA-N 0 3 233.330 3.498 20 0 BGADHN C[C@@]1(F)CCN([C@H]2CCCc3ccccc32)C1 ZINC000501392381 226327755 /nfs/dbraw/zinc/32/77/55/226327755.db2.gz IUYROEHGKPYBQL-LSDHHAIUSA-N 0 3 233.330 3.498 20 0 BGADHN Cc1cccc([C@H](C)N2CC[C@@](C)(F)C2)c1 ZINC000501396719 226327906 /nfs/dbraw/zinc/32/79/06/226327906.db2.gz VWRLRLXXQAZMKB-GXTWGEPZSA-N 0 3 221.319 3.490 20 0 BGADHN Cc1cccc([C@H](C)N2CC[C@](C)(F)C2)c1 ZINC000501396720 226327835 /nfs/dbraw/zinc/32/78/35/226327835.db2.gz VWRLRLXXQAZMKB-JSGCOSHPSA-N 0 3 221.319 3.490 20 0 BGADHN Cc1cccc([C@@H](C)N2CC[C@](C)(F)C2)c1 ZINC000501396721 226327786 /nfs/dbraw/zinc/32/77/86/226327786.db2.gz VWRLRLXXQAZMKB-OCCSQVGLSA-N 0 3 221.319 3.490 20 0 BGADHN Cc1cccc([C@@H](C)N2CC[C@@](C)(F)C2)c1 ZINC000501396722 226327856 /nfs/dbraw/zinc/32/78/56/226327856.db2.gz VWRLRLXXQAZMKB-TZMCWYRMSA-N 0 3 221.319 3.490 20 0 BGADHN C[C@@]1(F)CCN(CCCC2CCCC2)C1 ZINC000501412544 226327852 /nfs/dbraw/zinc/32/78/52/226327852.db2.gz UXRAJRJTSSVGCF-CYBMUJFWSA-N 0 3 213.340 3.391 20 0 BGADHN C[C@]1(F)CCN(CCCC2CCCC2)C1 ZINC000501412545 226327966 /nfs/dbraw/zinc/32/79/66/226327966.db2.gz UXRAJRJTSSVGCF-ZDUSSCGKSA-N 0 3 213.340 3.391 20 0 BGADHN CCc1ccc(CCN2CC[C@](C)(F)C2)cc1 ZINC000501412573 529628349 /nfs/dbraw/zinc/62/83/49/529628349.db2.gz VEXHXLFWJGGXPY-HNNXBMFYSA-N 0 3 235.346 3.225 20 0 BGADHN CCc1ccc(CCN2CC[C@@](C)(F)C2)cc1 ZINC000501412574 529628134 /nfs/dbraw/zinc/62/81/34/529628134.db2.gz VEXHXLFWJGGXPY-OAHLLOKOSA-N 0 3 235.346 3.225 20 0 BGADHN C[C@@H](CN1CC[C@@](C)(F)C1)c1ccccc1 ZINC000501417952 533863418 /nfs/dbraw/zinc/86/34/18/533863418.db2.gz DNVIYJPFYFEBIB-GXTWGEPZSA-N 0 3 221.319 3.224 20 0 BGADHN C[C@@H](CN1CC[C@](C)(F)C1)c1ccccc1 ZINC000501417955 533865076 /nfs/dbraw/zinc/86/50/76/533865076.db2.gz DNVIYJPFYFEBIB-JSGCOSHPSA-N 0 3 221.319 3.224 20 0 BGADHN C[C@H](CN1CC[C@](C)(F)C1)c1ccccc1 ZINC000501417956 226327718 /nfs/dbraw/zinc/32/77/18/226327718.db2.gz DNVIYJPFYFEBIB-OCCSQVGLSA-N 0 3 221.319 3.224 20 0 BGADHN C[C@H](CN1CC[C@@](C)(F)C1)c1ccccc1 ZINC000501417958 534069299 /nfs/dbraw/zinc/06/92/99/534069299.db2.gz DNVIYJPFYFEBIB-TZMCWYRMSA-N 0 3 221.319 3.224 20 0 BGADHN C[C@@]1(F)CCN(CCC2CCCCC2)C1 ZINC000501423459 226327749 /nfs/dbraw/zinc/32/77/49/226327749.db2.gz XZFSBCTWDYDBDK-CYBMUJFWSA-N 0 3 213.340 3.391 20 0 BGADHN C[C@]1(F)CCN(CCC2CCCCC2)C1 ZINC000501423461 226327737 /nfs/dbraw/zinc/32/77/37/226327737.db2.gz XZFSBCTWDYDBDK-ZDUSSCGKSA-N 0 3 213.340 3.391 20 0 BGADHN Cc1ccccc1CCCN1CC[C@](C)(F)C1 ZINC000501423879 226327773 /nfs/dbraw/zinc/32/77/73/226327773.db2.gz OQDARXHDRSZUFC-HNNXBMFYSA-N 0 3 235.346 3.362 20 0 BGADHN Cc1ccccc1CCCN1CC[C@@](C)(F)C1 ZINC000501423880 226327865 /nfs/dbraw/zinc/32/78/65/226327865.db2.gz OQDARXHDRSZUFC-OAHLLOKOSA-N 0 3 235.346 3.362 20 0 BGADHN Cc1ccccc1[C@H](C)N1CC[C@@](C)(F)C1 ZINC000501424820 226327733 /nfs/dbraw/zinc/32/77/33/226327733.db2.gz PZLHCUGNAKAKEY-GXTWGEPZSA-N 0 3 221.319 3.490 20 0 BGADHN Cc1ccccc1[C@H](C)N1CC[C@](C)(F)C1 ZINC000501424822 226327816 /nfs/dbraw/zinc/32/78/16/226327816.db2.gz PZLHCUGNAKAKEY-JSGCOSHPSA-N 0 3 221.319 3.490 20 0 BGADHN Cc1ccccc1[C@@H](C)N1CC[C@](C)(F)C1 ZINC000501424823 226327760 /nfs/dbraw/zinc/32/77/60/226327760.db2.gz PZLHCUGNAKAKEY-OCCSQVGLSA-N 0 3 221.319 3.490 20 0 BGADHN Cc1ccccc1[C@@H](C)N1CC[C@@](C)(F)C1 ZINC000501424824 226327901 /nfs/dbraw/zinc/32/79/01/226327901.db2.gz PZLHCUGNAKAKEY-TZMCWYRMSA-N 0 3 221.319 3.490 20 0 BGADHN C[C@]1(F)CCN(CCCc2ccccc2)C1 ZINC000501433020 226327969 /nfs/dbraw/zinc/32/79/69/226327969.db2.gz FNNJACJNMJFSLP-AWEZNQCLSA-N 0 3 221.319 3.053 20 0 BGADHN C[C@@]1(F)CCN(CCCc2ccccc2)C1 ZINC000501433021 226327840 /nfs/dbraw/zinc/32/78/40/226327840.db2.gz FNNJACJNMJFSLP-CQSZACIVSA-N 0 3 221.319 3.053 20 0 BGADHN C[C@@H](CCc1ccccc1)N1CC[C@@](C)(F)C1 ZINC000501447654 533673094 /nfs/dbraw/zinc/67/30/94/533673094.db2.gz PFSHIXGXDGCYMD-DZGCQCFKSA-N 0 3 235.346 3.442 20 0 BGADHN C[C@H](CCc1ccccc1)N1CC[C@](C)(F)C1 ZINC000501447657 533993156 /nfs/dbraw/zinc/99/31/56/533993156.db2.gz PFSHIXGXDGCYMD-HIFRSBDPSA-N 0 3 235.346 3.442 20 0 BGADHN C[C@H](CCc1ccccc1)N1CC[C@@](C)(F)C1 ZINC000501447660 533993633 /nfs/dbraw/zinc/99/36/33/533993633.db2.gz PFSHIXGXDGCYMD-UKRRQHHQSA-N 0 3 235.346 3.442 20 0 BGADHN C[C@@H](CCc1ccccc1)N1CC[C@](C)(F)C1 ZINC000501447663 533673474 /nfs/dbraw/zinc/67/34/74/533673474.db2.gz PFSHIXGXDGCYMD-ZFWWWQNUSA-N 0 3 235.346 3.442 20 0 BGADHN CC[C@H](C)CN1[C@H](c2ccccc2)COC[C@@H]1C ZINC000501531215 529659001 /nfs/dbraw/zinc/65/90/01/529659001.db2.gz KAMMCZVRZYOVLO-DZKIICNBSA-N 0 3 247.382 3.495 20 0 BGADHN CC[C@H](C)CN1[C@H](C)COC[C@H]1c1ccccc1 ZINC000501531572 529659102 /nfs/dbraw/zinc/65/91/02/529659102.db2.gz KAMMCZVRZYOVLO-LZWOXQAQSA-N 0 3 247.382 3.495 20 0 BGADHN CC[C@H](C)CN1[C@@H](C)COC[C@@H]1c1ccccc1 ZINC000501531574 529658824 /nfs/dbraw/zinc/65/88/24/529658824.db2.gz KAMMCZVRZYOVLO-OFQRWUPVSA-N 0 3 247.382 3.495 20 0 BGADHN CC[C@H](C)CN1[C@H](C)COC[C@@H]1c1ccccc1 ZINC000501531577 529659254 /nfs/dbraw/zinc/65/92/54/529659254.db2.gz KAMMCZVRZYOVLO-SQWLQELKSA-N 0 3 247.382 3.495 20 0 BGADHN C[C@@H]1CCN(Cc2cccc(F)c2)C[C@@H]1C ZINC000501770121 534040727 /nfs/dbraw/zinc/04/07/27/534040727.db2.gz MRPNQOKUHAUVAO-NEPJUHHUSA-N 0 3 221.319 3.304 20 0 BGADHN C[C@H]1CCN(Cc2cccc(F)c2)C[C@H]1C ZINC000501770122 533640868 /nfs/dbraw/zinc/64/08/68/533640868.db2.gz MRPNQOKUHAUVAO-NWDGAFQWSA-N 0 3 221.319 3.304 20 0 BGADHN C[C@H]1CN(Cc2cccc(F)c2)CC[C@@H]1C ZINC000501770123 533953953 /nfs/dbraw/zinc/95/39/53/533953953.db2.gz MRPNQOKUHAUVAO-RYUDHWBXSA-N 0 3 221.319 3.304 20 0 BGADHN C[C@@H]1CCN(Cc2cccc(F)c2)C[C@H]1C ZINC000501770124 534039952 /nfs/dbraw/zinc/03/99/52/534039952.db2.gz MRPNQOKUHAUVAO-VXGBXAGGSA-N 0 3 221.319 3.304 20 0 BGADHN C[C@@H]1CCN(Cc2ccc(F)cc2)C[C@@H]1C ZINC000501780385 534036945 /nfs/dbraw/zinc/03/69/45/534036945.db2.gz ZYLSBVACMSIUNE-NEPJUHHUSA-N 0 3 221.319 3.304 20 0 BGADHN C[C@H]1CCN(Cc2ccc(F)cc2)C[C@H]1C ZINC000501780386 226328663 /nfs/dbraw/zinc/32/86/63/226328663.db2.gz ZYLSBVACMSIUNE-NWDGAFQWSA-N 0 3 221.319 3.304 20 0 BGADHN C[C@H]1CN(Cc2ccc(F)cc2)CC[C@@H]1C ZINC000501780387 226328656 /nfs/dbraw/zinc/32/86/56/226328656.db2.gz ZYLSBVACMSIUNE-RYUDHWBXSA-N 0 3 221.319 3.304 20 0 BGADHN C[C@@H]1CCN(Cc2ccc(F)cc2)C[C@H]1C ZINC000501780388 534038093 /nfs/dbraw/zinc/03/80/93/534038093.db2.gz ZYLSBVACMSIUNE-VXGBXAGGSA-N 0 3 221.319 3.304 20 0 BGADHN C[C@@H]1CCN(Cc2ccc(F)c(F)c2)C[C@H]1C ZINC000501794879 534036867 /nfs/dbraw/zinc/03/68/67/534036867.db2.gz LOWQILMMQQDBPN-GHMZBOCLSA-N 0 3 239.309 3.443 20 0 BGADHN C[C@@H]1CCN(Cc2ccc(F)c(F)c2)C[C@@H]1C ZINC000501794881 534037302 /nfs/dbraw/zinc/03/73/02/534037302.db2.gz LOWQILMMQQDBPN-MNOVXSKESA-N 0 3 239.309 3.443 20 0 BGADHN C[C@H]1CN(Cc2ccc(F)c(F)c2)CC[C@@H]1C ZINC000501794883 226328504 /nfs/dbraw/zinc/32/85/04/226328504.db2.gz LOWQILMMQQDBPN-QWRGUYRKSA-N 0 3 239.309 3.443 20 0 BGADHN C[C@H]1CCN(Cc2ccc(F)c(F)c2)C[C@H]1C ZINC000501794884 226328713 /nfs/dbraw/zinc/32/87/13/226328713.db2.gz LOWQILMMQQDBPN-WDEREUQCSA-N 0 3 239.309 3.443 20 0 BGADHN CCC[C@@H](C)N1Cc2ccc(C)cc2C1 ZINC000501845293 528894885 /nfs/dbraw/zinc/89/48/85/528894885.db2.gz WCUSSPUIFBLYFX-GFCCVEGCSA-N 0 3 203.329 3.499 20 0 BGADHN CCC[C@H](C)N1Cc2ccc(C)cc2C1 ZINC000501845303 528056377 /nfs/dbraw/zinc/05/63/77/528056377.db2.gz WCUSSPUIFBLYFX-LBPRGKRZSA-N 0 3 203.329 3.499 20 0 BGADHN CCC[C@@H](C)N(C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000501849228 528887160 /nfs/dbraw/zinc/88/71/60/528887160.db2.gz GKNKIYCHMVSHHN-LLVKDONJSA-N 0 3 237.391 3.328 20 0 BGADHN CCC[C@H](C)N(C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000501849229 528048023 /nfs/dbraw/zinc/04/80/23/528048023.db2.gz GKNKIYCHMVSHHN-NSHDSACASA-N 0 3 237.391 3.328 20 0 BGADHN Cc1ccc(C)c(CN(C)CCOCC(C)C)c1 ZINC000501901109 533663535 /nfs/dbraw/zinc/66/35/35/533663535.db2.gz SYYHTCIOILTAQR-UHFFFAOYSA-N 0 3 249.398 3.408 20 0 BGADHN CC[C@H](C)N1CCc2cc(Cl)ccc2C1 ZINC000501925836 529701653 /nfs/dbraw/zinc/70/16/53/529701653.db2.gz ZIDPWLWTRXLLCV-JTQLQIEISA-N 0 3 223.747 3.497 20 0 BGADHN CC[C@@H](C)N1CCc2cc(Cl)ccc2C1 ZINC000501925837 529356826 /nfs/dbraw/zinc/35/68/26/529356826.db2.gz ZIDPWLWTRXLLCV-SNVBAGLBSA-N 0 3 223.747 3.497 20 0 BGADHN CCc1cc(OC)ccc1CN1CCC12CCC2 ZINC000502298757 529567665 /nfs/dbraw/zinc/56/76/65/529567665.db2.gz FECZCIFKOVMIFR-UHFFFAOYSA-N 0 3 245.366 3.386 20 0 BGADHN CCc1cc(OC)ccc1CN1CCC=C(C)C1 ZINC000502336770 529568373 /nfs/dbraw/zinc/56/83/73/529568373.db2.gz WPPRCDGRVPMRAL-UHFFFAOYSA-N 0 3 245.366 3.410 20 0 BGADHN CC[C@@H]1CCC[C@@H](N[C@@H](C)c2cc(C)n(C)n2)C1 ZINC000502401622 529304946 /nfs/dbraw/zinc/30/49/46/529304946.db2.gz AWKPTEKXZFZMOH-BFHYXJOUSA-N 0 3 249.402 3.348 20 0 BGADHN CC[C@@H]1CCC[C@H](N[C@H](C)c2cc(C)n(C)n2)C1 ZINC000502401623 529315982 /nfs/dbraw/zinc/31/59/82/529315982.db2.gz AWKPTEKXZFZMOH-MCIONIFRSA-N 0 3 249.402 3.348 20 0 BGADHN CC[C@@H]1CCC[C@@H](N[C@H](C)c2cc(C)n(C)n2)C1 ZINC000502401624 529305213 /nfs/dbraw/zinc/30/52/13/529305213.db2.gz AWKPTEKXZFZMOH-MGPQQGTHSA-N 0 3 249.402 3.348 20 0 BGADHN CC[C@@H]1CCC[C@H](N[C@@H](C)c2cc(C)n(C)n2)C1 ZINC000502401625 529316020 /nfs/dbraw/zinc/31/60/20/529316020.db2.gz AWKPTEKXZFZMOH-MJBXVCDLSA-N 0 3 249.402 3.348 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CCCCC2(C)C)nn1C ZINC000502406983 226329696 /nfs/dbraw/zinc/32/96/96/226329696.db2.gz POSKBIZPTFYYHY-GXTWGEPZSA-N 0 3 249.402 3.348 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2CCCCC2(C)C)nn1C ZINC000502406984 226329669 /nfs/dbraw/zinc/32/96/69/226329669.db2.gz POSKBIZPTFYYHY-JSGCOSHPSA-N 0 3 249.402 3.348 20 0 BGADHN Cc1cc([C@@H](C)N[C@H]2CCCCC2(C)C)nn1C ZINC000502406985 226329805 /nfs/dbraw/zinc/32/98/05/226329805.db2.gz POSKBIZPTFYYHY-OCCSQVGLSA-N 0 3 249.402 3.348 20 0 BGADHN Cc1cc([C@@H](C)N[C@@H]2CCCCC2(C)C)nn1C ZINC000502406986 226329736 /nfs/dbraw/zinc/32/97/36/226329736.db2.gz POSKBIZPTFYYHY-TZMCWYRMSA-N 0 3 249.402 3.348 20 0 BGADHN Cc1cc([C@@H](C)NCCC2CCCCC2)nn1C ZINC000502413922 226329868 /nfs/dbraw/zinc/32/98/68/226329868.db2.gz KVFPRVQVLRMPEQ-CYBMUJFWSA-N 0 3 249.402 3.350 20 0 BGADHN Cc1cc([C@H](C)NCCC2CCCCC2)nn1C ZINC000502413923 226329990 /nfs/dbraw/zinc/32/99/90/226329990.db2.gz KVFPRVQVLRMPEQ-ZDUSSCGKSA-N 0 3 249.402 3.350 20 0 BGADHN Cc1cc([C@@H](C)N[C@H](C)C2CCCCC2)nn1C ZINC000502450423 226329887 /nfs/dbraw/zinc/32/98/87/226329887.db2.gz HEFAXDKIZHSEGG-CHWSQXEVSA-N 0 3 249.402 3.348 20 0 BGADHN Cc1cc([C@H](C)N[C@H](C)C2CCCCC2)nn1C ZINC000502450424 226329935 /nfs/dbraw/zinc/32/99/35/226329935.db2.gz HEFAXDKIZHSEGG-OLZOCXBDSA-N 0 3 249.402 3.348 20 0 BGADHN Cc1cc([C@@H](C)N[C@@H](C)C2CCCCC2)nn1C ZINC000502450425 226330047 /nfs/dbraw/zinc/33/00/47/226330047.db2.gz HEFAXDKIZHSEGG-QWHCGFSZSA-N 0 3 249.402 3.348 20 0 BGADHN Cc1cc([C@H](C)N[C@@H](C)C2CCCCC2)nn1C ZINC000502450426 226329880 /nfs/dbraw/zinc/32/98/80/226329880.db2.gz HEFAXDKIZHSEGG-STQMWFEESA-N 0 3 249.402 3.348 20 0 BGADHN CCOCCN[C@]1(c2cccc(C)c2)C[C@H]1CC ZINC000502479804 528780309 /nfs/dbraw/zinc/78/03/09/528780309.db2.gz GCLAOSIUSNEGIX-GDBMZVCRSA-N 0 3 247.382 3.246 20 0 BGADHN CCOCCN[C@]1(c2cccc(C)c2)C[C@@H]1CC ZINC000502479805 528781003 /nfs/dbraw/zinc/78/10/03/528781003.db2.gz GCLAOSIUSNEGIX-GOEBONIOSA-N 0 3 247.382 3.246 20 0 BGADHN CCOCCN[C@@]1(c2cccc(C)c2)C[C@@H]1CC ZINC000502479806 528780714 /nfs/dbraw/zinc/78/07/14/528780714.db2.gz GCLAOSIUSNEGIX-HOCLYGCPSA-N 0 3 247.382 3.246 20 0 BGADHN CCOCCN[C@@]1(c2cccc(C)c2)C[C@H]1CC ZINC000502479807 528780854 /nfs/dbraw/zinc/78/08/54/528780854.db2.gz GCLAOSIUSNEGIX-ZBFHGGJFSA-N 0 3 247.382 3.246 20 0 BGADHN CC[C@@H]1C[C@@]1(NC[C@@H](C)OC)c1cccc(C)c1 ZINC000502506117 529431553 /nfs/dbraw/zinc/43/15/53/529431553.db2.gz DGGOMBLUORBEDP-FMKPAKJESA-N 0 3 247.382 3.245 20 0 BGADHN CC[C@@H]1C[C@]1(NC[C@@H](C)OC)c1cccc(C)c1 ZINC000502506118 529462111 /nfs/dbraw/zinc/46/21/11/529462111.db2.gz DGGOMBLUORBEDP-IIAWOOMASA-N 0 3 247.382 3.245 20 0 BGADHN CC[C@@H]1C[C@@]1(NC[C@H](C)OC)c1cccc(C)c1 ZINC000502506119 529431297 /nfs/dbraw/zinc/43/12/97/529431297.db2.gz DGGOMBLUORBEDP-LZWOXQAQSA-N 0 3 247.382 3.245 20 0 BGADHN CC[C@@H]1C[C@]1(NC[C@H](C)OC)c1cccc(C)c1 ZINC000502506120 529461869 /nfs/dbraw/zinc/46/18/69/529461869.db2.gz DGGOMBLUORBEDP-SQWLQELKSA-N 0 3 247.382 3.245 20 0 BGADHN CCCCCN1CCc2cccc(F)c2C1 ZINC000502506942 528186913 /nfs/dbraw/zinc/18/69/13/528186913.db2.gz LZAWLRCROIOEQJ-UHFFFAOYSA-N 0 3 221.319 3.374 20 0 BGADHN Fc1cccc2c1CN(CC1CCCC1)CC2 ZINC000502509252 226330342 /nfs/dbraw/zinc/33/03/42/226330342.db2.gz UMUBOXCXUXEHHA-UHFFFAOYSA-N 0 3 233.330 3.374 20 0 BGADHN CC(C)CCN1CCc2cccc(F)c2C1 ZINC000502533050 527727701 /nfs/dbraw/zinc/72/77/01/527727701.db2.gz YTPBXDQNHPSNJA-UHFFFAOYSA-N 0 3 221.319 3.230 20 0 BGADHN CN(C/C=C\c1ccccc1)C[C@@H]1CCCCO1 ZINC000502669310 529820711 /nfs/dbraw/zinc/82/07/11/529820711.db2.gz WKGFLVRXXAQUEX-BJIFSAINSA-N 0 3 245.366 3.201 20 0 BGADHN CN(C/C=C\c1ccccc1)C[C@H]1CCCCO1 ZINC000502669311 529820637 /nfs/dbraw/zinc/82/06/37/529820637.db2.gz WKGFLVRXXAQUEX-BSDKJSHOSA-N 0 3 245.366 3.201 20 0 BGADHN CN(C/C=C/c1ccccc1)C[C@@H]1CCCCO1 ZINC000502669313 529820148 /nfs/dbraw/zinc/82/01/48/529820148.db2.gz WKGFLVRXXAQUEX-JCVNQNCUSA-N 0 3 245.366 3.201 20 0 BGADHN CN(C/C=C/c1ccccc1)C[C@H]1CCCCO1 ZINC000502669315 529819869 /nfs/dbraw/zinc/81/98/69/529819869.db2.gz WKGFLVRXXAQUEX-OJXHRBAXSA-N 0 3 245.366 3.201 20 0 BGADHN CC[C@@H]1CCCC[C@H]1N[C@@H](C)c1cc(C)n(C)n1 ZINC000502687329 529290169 /nfs/dbraw/zinc/29/01/69/529290169.db2.gz OLZJUYGDXPNDAU-BFHYXJOUSA-N 0 3 249.402 3.348 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1N[C@H](C)c1cc(C)n(C)n1 ZINC000502687330 529282966 /nfs/dbraw/zinc/28/29/66/529282966.db2.gz OLZJUYGDXPNDAU-MCIONIFRSA-N 0 3 249.402 3.348 20 0 BGADHN CC[C@@H]1CCCC[C@H]1N[C@H](C)c1cc(C)n(C)n1 ZINC000502687331 529290224 /nfs/dbraw/zinc/29/02/24/529290224.db2.gz OLZJUYGDXPNDAU-MGPQQGTHSA-N 0 3 249.402 3.348 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1N[C@@H](C)c1cc(C)n(C)n1 ZINC000502687332 529282937 /nfs/dbraw/zinc/28/29/37/529282937.db2.gz OLZJUYGDXPNDAU-MJBXVCDLSA-N 0 3 249.402 3.348 20 0 BGADHN CC[C@H](N[C@@H](C)c1cc(C)n(C)n1)C(C)(C)C ZINC000502709870 529651601 /nfs/dbraw/zinc/65/16/01/529651601.db2.gz ADNBJKKAOUUROG-AAEUAGOBSA-N 0 3 237.391 3.204 20 0 BGADHN CC[C@@H](N[C@H](C)c1cc(C)n(C)n1)C(C)(C)C ZINC000502709875 529205561 /nfs/dbraw/zinc/20/55/61/529205561.db2.gz ADNBJKKAOUUROG-DGCLKSJQSA-N 0 3 237.391 3.204 20 0 BGADHN CC[C@@H](N[C@@H](C)c1cc(C)n(C)n1)C(C)(C)C ZINC000502709876 529200056 /nfs/dbraw/zinc/20/00/56/529200056.db2.gz ADNBJKKAOUUROG-WCQYABFASA-N 0 3 237.391 3.204 20 0 BGADHN CC[C@H](N[C@H](C)c1cc(C)n(C)n1)C(C)(C)C ZINC000502709877 529666508 /nfs/dbraw/zinc/66/65/08/529666508.db2.gz ADNBJKKAOUUROG-YPMHNXCESA-N 0 3 237.391 3.204 20 0 BGADHN CCCCN1CCc2cc(F)cc(C)c2C1 ZINC000502874904 528486017 /nfs/dbraw/zinc/48/60/17/528486017.db2.gz AZIGEZAKEDDVAI-UHFFFAOYSA-N 0 3 221.319 3.292 20 0 BGADHN Cc1ccccc1[C@]1(F)CCN(CC2CC2)C1 ZINC000502875381 226331030 /nfs/dbraw/zinc/33/10/30/226331030.db2.gz LUQXIVOEEQGQJH-HNNXBMFYSA-N 0 3 233.330 3.276 20 0 BGADHN Cc1ccccc1[C@@]1(F)CCN(CC2CC2)C1 ZINC000502875386 226331263 /nfs/dbraw/zinc/33/12/63/226331263.db2.gz LUQXIVOEEQGQJH-OAHLLOKOSA-N 0 3 233.330 3.276 20 0 BGADHN CCCN1CC[C@@](F)(c2ccccc2C)C1 ZINC000502892532 528254202 /nfs/dbraw/zinc/25/42/02/528254202.db2.gz LKTPZSFDXXORFE-AWEZNQCLSA-N 0 3 221.319 3.276 20 0 BGADHN CCCN1CC[C@](F)(c2ccccc2C)C1 ZINC000502892533 528262043 /nfs/dbraw/zinc/26/20/43/528262043.db2.gz LKTPZSFDXXORFE-CQSZACIVSA-N 0 3 221.319 3.276 20 0 BGADHN Cc1cc(F)cc2c1CN(C[C@@H]1C[C@@H]1C)CC2 ZINC000503045532 533848669 /nfs/dbraw/zinc/84/86/69/533848669.db2.gz XNKITASRVHBNCN-GWCFXTLKSA-N 0 3 233.330 3.148 20 0 BGADHN Cc1cc(F)cc2c1CN(C[C@H]1C[C@@H]1C)CC2 ZINC000503045534 533850034 /nfs/dbraw/zinc/85/00/34/533850034.db2.gz XNKITASRVHBNCN-GXFFZTMASA-N 0 3 233.330 3.148 20 0 BGADHN Cc1cc(F)cc2c1CN(C[C@@H]1C[C@H]1C)CC2 ZINC000503045536 533849673 /nfs/dbraw/zinc/84/96/73/533849673.db2.gz XNKITASRVHBNCN-MFKMUULPSA-N 0 3 233.330 3.148 20 0 BGADHN Cc1cc(F)cc2c1CN(C[C@H]1C[C@H]1C)CC2 ZINC000503045537 533848133 /nfs/dbraw/zinc/84/81/33/533848133.db2.gz XNKITASRVHBNCN-ZWNOBZJWSA-N 0 3 233.330 3.148 20 0 BGADHN C[C@@H](N[C@@H]1CCC[C@H]1OC(F)F)c1ccco1 ZINC000503905913 533522772 /nfs/dbraw/zinc/52/27/72/533522772.db2.gz CKHWXTYEFOQXAH-FXPVBKGRSA-N 0 3 245.269 3.091 20 0 BGADHN CCc1cc(OC)ccc1CN1C[C@H]2CCC[C@H]21 ZINC000503952747 529567833 /nfs/dbraw/zinc/56/78/33/529567833.db2.gz KDWXLNSNUFDGNQ-GDBMZVCRSA-N 0 3 245.366 3.242 20 0 BGADHN CCc1cc(OC)ccc1CN1C[C@@H]2CCC[C@H]21 ZINC000503952748 529567785 /nfs/dbraw/zinc/56/77/85/529567785.db2.gz KDWXLNSNUFDGNQ-GOEBONIOSA-N 0 3 245.366 3.242 20 0 BGADHN CCc1cc(OC)ccc1CN1C[C@@H]2CCC[C@@H]21 ZINC000503952749 529567873 /nfs/dbraw/zinc/56/78/73/529567873.db2.gz KDWXLNSNUFDGNQ-HOCLYGCPSA-N 0 3 245.366 3.242 20 0 BGADHN CCc1cc(OC)ccc1CN1C[C@H]2CCC[C@@H]21 ZINC000503952750 529567643 /nfs/dbraw/zinc/56/76/43/529567643.db2.gz KDWXLNSNUFDGNQ-ZBFHGGJFSA-N 0 3 245.366 3.242 20 0 BGADHN CCc1cc(OC)ccc1CN1CC=C(C)CC1 ZINC000503954810 529568390 /nfs/dbraw/zinc/56/83/90/529568390.db2.gz YVFQLUMHYWDJKB-UHFFFAOYSA-N 0 3 245.366 3.410 20 0 BGADHN CCN1CCC[C@@H]1Cc1ccccc1Cl ZINC000503954937 529082763 /nfs/dbraw/zinc/08/27/63/529082763.db2.gz ZMWUNYIIWCVRIC-GFCCVEGCSA-N 0 3 223.747 3.367 20 0 BGADHN CCCCN(CC)Cc1ccccc1OC ZINC000503977141 528395299 /nfs/dbraw/zinc/39/52/99/528395299.db2.gz PGRIFHSESJJYOT-UHFFFAOYSA-N 0 3 221.344 3.317 20 0 BGADHN CCN(CCOC)Cc1ccc(C(C)C)cc1 ZINC000503994016 528562630 /nfs/dbraw/zinc/56/26/30/528562630.db2.gz USMKYWRBTJCJDB-UHFFFAOYSA-N 0 3 235.371 3.278 20 0 BGADHN CN(CCOc1cccc(C(C)(C)C)c1)C1CC1 ZINC000504106661 529925949 /nfs/dbraw/zinc/92/59/49/529925949.db2.gz CDRLQTNMJZORRT-UHFFFAOYSA-N 0 3 247.382 3.457 20 0 BGADHN CCCN(CC)Cc1cc(F)cc(F)c1 ZINC000505229002 528000396 /nfs/dbraw/zinc/00/03/96/528000396.db2.gz FEUORZWPZPRRIB-UHFFFAOYSA-N 0 3 213.271 3.197 20 0 BGADHN CCCN(CC)Cc1ncccc1C(F)(F)F ZINC000505229129 528004215 /nfs/dbraw/zinc/00/42/15/528004215.db2.gz FKOOBZMIDXFEPL-UHFFFAOYSA-N 0 3 246.276 3.332 20 0 BGADHN CCN(CC)Cc1ccccc1OC(F)(F)F ZINC000505234910 528200189 /nfs/dbraw/zinc/20/01/89/528200189.db2.gz CANVRSHNKWOISY-UHFFFAOYSA-N 0 3 247.260 3.427 20 0 BGADHN CCN(CC)Cc1c(C)nn(C(C)(C)C)c1C ZINC000505235665 528186153 /nfs/dbraw/zinc/18/61/53/528186153.db2.gz NTSYWEYUZXJION-UHFFFAOYSA-N 0 3 237.391 3.097 20 0 BGADHN Cc1ccc([O-])c(C[N@H+]([C@H](C)C(C)C)C2CC2)n1 ZINC000505248315 534193290 /nfs/dbraw/zinc/19/32/90/534193290.db2.gz BALJIEPWPYCEFD-GFCCVEGCSA-N 0 3 248.370 3.105 20 0 BGADHN Cc1ccc([O-])c(C[N@@H+]([C@H](C)C(C)C)C2CC2)n1 ZINC000505248315 534193284 /nfs/dbraw/zinc/19/32/84/534193284.db2.gz BALJIEPWPYCEFD-GFCCVEGCSA-N 0 3 248.370 3.105 20 0 BGADHN Cc1ccc([O-])c(C[N@H+]([C@@H](C)C(C)C)C2CC2)n1 ZINC000505248316 534194397 /nfs/dbraw/zinc/19/43/97/534194397.db2.gz BALJIEPWPYCEFD-LBPRGKRZSA-N 0 3 248.370 3.105 20 0 BGADHN Cc1ccc([O-])c(C[N@@H+]([C@@H](C)C(C)C)C2CC2)n1 ZINC000505248316 534194391 /nfs/dbraw/zinc/19/43/91/534194391.db2.gz BALJIEPWPYCEFD-LBPRGKRZSA-N 0 3 248.370 3.105 20 0 BGADHN CC[C@H](CN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000505249349 529336403 /nfs/dbraw/zinc/33/64/03/529336403.db2.gz OJOJMGWLBGPNDF-QLFBSQMISA-N 0 3 247.382 3.289 20 0 BGADHN CC[C@@H](CN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000505249352 388107142 /nfs/dbraw/zinc/10/71/42/388107142.db2.gz OJOJMGWLBGPNDF-ZNMIVQPWSA-N 0 3 247.382 3.289 20 0 BGADHN CCN(CC)Cc1cc(C)ccc1OC(F)F ZINC000505249704 528186210 /nfs/dbraw/zinc/18/62/10/528186210.db2.gz UPDISNIQUYGRCV-UHFFFAOYSA-N 0 3 243.297 3.438 20 0 BGADHN CCN(CC)Cc1cnc(-c2ccncc2)s1 ZINC000505267885 528200108 /nfs/dbraw/zinc/20/01/08/528200108.db2.gz WYXBCUVARAOWIY-UHFFFAOYSA-N 0 3 247.367 3.047 20 0 BGADHN CCN(CC)Cc1cccc2c1OC(C)(C)C2 ZINC000505278114 528197090 /nfs/dbraw/zinc/19/70/90/528197090.db2.gz UPAFTMITLWDWIX-UHFFFAOYSA-N 0 3 233.355 3.242 20 0 BGADHN CCN(CC)Cc1cccn1CCC(C)C ZINC000505289059 528199496 /nfs/dbraw/zinc/19/94/96/528199496.db2.gz DPPJIRWKQOPAOK-UHFFFAOYSA-N 0 3 222.376 3.376 20 0 BGADHN CC[C@@H]1CCCCN1Cc1cccc2c1OCO2 ZINC000505308930 529274182 /nfs/dbraw/zinc/27/41/82/529274182.db2.gz WHSFZHLCFLVYLT-CYBMUJFWSA-N 0 3 247.338 3.180 20 0 BGADHN CC[C@H]1CCCCN1Cc1cccc2c1OCO2 ZINC000505308931 529202100 /nfs/dbraw/zinc/20/21/00/529202100.db2.gz WHSFZHLCFLVYLT-ZDUSSCGKSA-N 0 3 247.338 3.180 20 0 BGADHN CCOc1cccc(CN2CCCC[C@@H]2CC)n1 ZINC000505314216 226353927 /nfs/dbraw/zinc/35/39/27/226353927.db2.gz LZZUWAMJMROSTK-AWEZNQCLSA-N 0 3 248.370 3.245 20 0 BGADHN CCOc1cccc(CN2CCCC[C@H]2CC)n1 ZINC000505314217 226354165 /nfs/dbraw/zinc/35/41/65/226354165.db2.gz LZZUWAMJMROSTK-CQSZACIVSA-N 0 3 248.370 3.245 20 0 BGADHN Cc1cc(CN2CCC[C@@H](C)C2)ccc1F ZINC000505321590 533600785 /nfs/dbraw/zinc/60/07/85/533600785.db2.gz WJLJWZTTWFIBKK-LLVKDONJSA-N 0 3 221.319 3.366 20 0 BGADHN Cc1cc(CN2CCC[C@H](C)C2)ccc1F ZINC000505321591 533605807 /nfs/dbraw/zinc/60/58/07/533605807.db2.gz WJLJWZTTWFIBKK-NSHDSACASA-N 0 3 221.319 3.366 20 0 BGADHN Cc1cc(F)ccc1CN1CCC[C@@H](C)C1 ZINC000505326096 533876413 /nfs/dbraw/zinc/87/64/13/533876413.db2.gz LSQSMVCGKVZYLZ-LLVKDONJSA-N 0 3 221.319 3.366 20 0 BGADHN Cc1cc(F)ccc1CN1CCC[C@H](C)C1 ZINC000505326097 533877947 /nfs/dbraw/zinc/87/79/47/533877947.db2.gz LSQSMVCGKVZYLZ-NSHDSACASA-N 0 3 221.319 3.366 20 0 BGADHN COc1ccccc1/C=C\CN1CCC[C@@H](C)C1 ZINC000505327317 533958439 /nfs/dbraw/zinc/95/84/39/533958439.db2.gz SWNLJEBZZCNYAJ-DEBLGDTFSA-N 0 3 245.366 3.440 20 0 BGADHN COc1ccccc1/C=C/CN1CCC[C@H](C)C1 ZINC000505327318 533947373 /nfs/dbraw/zinc/94/73/73/533947373.db2.gz SWNLJEBZZCNYAJ-MRZGDXHCSA-N 0 3 245.366 3.440 20 0 BGADHN COc1ccccc1/C=C\CN1CCC[C@H](C)C1 ZINC000505327319 533958044 /nfs/dbraw/zinc/95/80/44/533958044.db2.gz SWNLJEBZZCNYAJ-PIZKADEWSA-N 0 3 245.366 3.440 20 0 BGADHN COc1ccccc1/C=C/CN1CCC[C@@H](C)C1 ZINC000505327320 533947048 /nfs/dbraw/zinc/94/70/48/533947048.db2.gz SWNLJEBZZCNYAJ-VIIAAUOXSA-N 0 3 245.366 3.440 20 0 BGADHN Cc1ccc(F)c(CN2CCC[C@@H](C)C2)c1 ZINC000505329651 226354084 /nfs/dbraw/zinc/35/40/84/226354084.db2.gz FIYPCKVJFQIKSW-GFCCVEGCSA-N 0 3 221.319 3.366 20 0 BGADHN Cc1ccc(F)c(CN2CCC[C@H](C)C2)c1 ZINC000505329652 226353921 /nfs/dbraw/zinc/35/39/21/226353921.db2.gz FIYPCKVJFQIKSW-LBPRGKRZSA-N 0 3 221.319 3.366 20 0 BGADHN CCCCN(CCCC)Cc1cnc(C)cn1 ZINC000505332795 528404422 /nfs/dbraw/zinc/40/44/22/528404422.db2.gz YKKLQARCKVQLCA-UHFFFAOYSA-N 0 3 235.375 3.187 20 0 BGADHN C[C@@H]1C[C@@H](C)CN(Cc2cc(F)cc(F)c2)C1 ZINC000505336793 226354342 /nfs/dbraw/zinc/35/43/42/226354342.db2.gz DKINOPARWMKGMH-GHMZBOCLSA-N 0 3 239.309 3.443 20 0 BGADHN C[C@@H]1C[C@H](C)CN(Cc2cc(F)cc(F)c2)C1 ZINC000505336796 226354448 /nfs/dbraw/zinc/35/44/48/226354448.db2.gz DKINOPARWMKGMH-PHIMTYICSA-N 0 3 239.309 3.443 20 0 BGADHN C[C@H]1C[C@H](C)CN(Cc2cc(F)cc(F)c2)C1 ZINC000505336797 226354322 /nfs/dbraw/zinc/35/43/22/226354322.db2.gz DKINOPARWMKGMH-QWRGUYRKSA-N 0 3 239.309 3.443 20 0 BGADHN CCc1ncc(CN2C[C@H](C)C[C@@H](C)C2)s1 ZINC000505337873 529754568 /nfs/dbraw/zinc/75/45/68/529754568.db2.gz MCMMLKXNELMNTF-GHMZBOCLSA-N 0 3 238.400 3.183 20 0 BGADHN CCc1ncc(CN2C[C@H](C)C[C@H](C)C2)s1 ZINC000505337874 529754673 /nfs/dbraw/zinc/75/46/73/529754673.db2.gz MCMMLKXNELMNTF-PHIMTYICSA-N 0 3 238.400 3.183 20 0 BGADHN CCc1ncc(CN2C[C@@H](C)C[C@H](C)C2)s1 ZINC000505337875 529754682 /nfs/dbraw/zinc/75/46/82/529754682.db2.gz MCMMLKXNELMNTF-QWRGUYRKSA-N 0 3 238.400 3.183 20 0 BGADHN CCCCOc1ccc(CN2CCCC2)cc1 ZINC000505338518 528672211 /nfs/dbraw/zinc/67/22/11/528672211.db2.gz PLVVICWTWWJOQG-UHFFFAOYSA-N 0 3 233.355 3.461 20 0 BGADHN COc1ccsc1CN1C[C@H](C)C[C@@H](C)C1 ZINC000505342908 533098051 /nfs/dbraw/zinc/09/80/51/533098051.db2.gz ITJZSYHCFNQRSZ-GHMZBOCLSA-N 0 3 239.384 3.235 20 0 BGADHN COc1ccsc1CN1C[C@H](C)C[C@H](C)C1 ZINC000505342909 533096856 /nfs/dbraw/zinc/09/68/56/533096856.db2.gz ITJZSYHCFNQRSZ-PHIMTYICSA-N 0 3 239.384 3.235 20 0 BGADHN COc1ccsc1CN1C[C@@H](C)C[C@H](C)C1 ZINC000505342910 533097454 /nfs/dbraw/zinc/09/74/54/533097454.db2.gz ITJZSYHCFNQRSZ-QWRGUYRKSA-N 0 3 239.384 3.235 20 0 BGADHN CCc1ccc(CN2C[C@@H](C)C[C@H](C)C2)o1 ZINC000505346140 529644377 /nfs/dbraw/zinc/64/43/77/529644377.db2.gz VVYIMCUBSOKKGV-RYUDHWBXSA-N 0 3 221.344 3.320 20 0 BGADHN CCc1ccc(CN2C[C@H](C)C[C@H](C)C2)o1 ZINC000505346141 529645272 /nfs/dbraw/zinc/64/52/72/529645272.db2.gz VVYIMCUBSOKKGV-TXEJJXNPSA-N 0 3 221.344 3.320 20 0 BGADHN CCc1ccc(CN2C[C@H](C)C[C@@H](C)C2)o1 ZINC000505346142 529645216 /nfs/dbraw/zinc/64/52/16/529645216.db2.gz VVYIMCUBSOKKGV-VXGBXAGGSA-N 0 3 221.344 3.320 20 0 BGADHN C[C@@H]1C[C@@H](C)CN(Cc2ccc(F)cc2F)C1 ZINC000505349435 226354413 /nfs/dbraw/zinc/35/44/13/226354413.db2.gz LHALQUCSMKZWSB-GHMZBOCLSA-N 0 3 239.309 3.443 20 0 BGADHN C[C@@H]1C[C@H](C)CN(Cc2ccc(F)cc2F)C1 ZINC000505349436 226354205 /nfs/dbraw/zinc/35/42/05/226354205.db2.gz LHALQUCSMKZWSB-PHIMTYICSA-N 0 3 239.309 3.443 20 0 BGADHN C[C@H]1C[C@H](C)CN(Cc2ccc(F)cc2F)C1 ZINC000505349437 226354210 /nfs/dbraw/zinc/35/42/10/226354210.db2.gz LHALQUCSMKZWSB-QWRGUYRKSA-N 0 3 239.309 3.443 20 0 BGADHN CCCN(CCC)Cc1sccc1OC ZINC000505350197 528062011 /nfs/dbraw/zinc/06/20/11/528062011.db2.gz OBOGYNVKYCKZEO-UHFFFAOYSA-N 0 3 227.373 3.379 20 0 BGADHN COc1ccc(C)cc1CN1CCC[C@@H](C)C1 ZINC000505350823 533386345 /nfs/dbraw/zinc/38/63/45/533386345.db2.gz QJEKFDWQXUFTMT-CYBMUJFWSA-N 0 3 233.355 3.236 20 0 BGADHN COc1ccc(C)cc1CN1CCC[C@H](C)C1 ZINC000505350824 533386646 /nfs/dbraw/zinc/38/66/46/533386646.db2.gz QJEKFDWQXUFTMT-ZDUSSCGKSA-N 0 3 233.355 3.236 20 0 BGADHN CCCN(CCC)Cc1cnc2cccc(C)n12 ZINC000505351599 528060227 /nfs/dbraw/zinc/06/02/27/528060227.db2.gz UBLDAGARTPEWOC-UHFFFAOYSA-N 0 3 245.370 3.265 20 0 BGADHN CCCN(CCC)Cc1nc2ccccc2n1C ZINC000505352585 528059904 /nfs/dbraw/zinc/05/99/04/528059904.db2.gz XUVKQUFXZPSDNT-UHFFFAOYSA-N 0 3 245.370 3.195 20 0 BGADHN CCCN(CCC)Cc1cccc2c1OCO2 ZINC000505355623 528060772 /nfs/dbraw/zinc/06/07/72/528060772.db2.gz KPQIWPJFSOWNIF-UHFFFAOYSA-N 0 3 235.327 3.037 20 0 BGADHN CC1(C)CCc2cc(CN3CCCC3)ccc2O1 ZINC000505356745 529052505 /nfs/dbraw/zinc/05/25/05/529052505.db2.gz ZWLYQHRXZCOEPI-UHFFFAOYSA-N 0 3 245.366 3.386 20 0 BGADHN Cc1ccc(CN2CCC[C@@H](C)C2)cc1F ZINC000505361148 533924921 /nfs/dbraw/zinc/92/49/21/533924921.db2.gz DBWUNXIVPQSONV-LLVKDONJSA-N 0 3 221.319 3.366 20 0 BGADHN Cc1ccc(CN2CCC[C@H](C)C2)cc1F ZINC000505361150 533926592 /nfs/dbraw/zinc/92/65/92/533926592.db2.gz DBWUNXIVPQSONV-NSHDSACASA-N 0 3 221.319 3.366 20 0 BGADHN CCc1ncc(CN2CCCC[C@H]2CC)s1 ZINC000505363145 529753222 /nfs/dbraw/zinc/75/32/22/529753222.db2.gz XYJHWOXYYJVWKS-LLVKDONJSA-N 0 3 238.400 3.470 20 0 BGADHN CCc1ncc(CN2CCCC[C@@H]2CC)s1 ZINC000505363146 529753190 /nfs/dbraw/zinc/75/31/90/529753190.db2.gz XYJHWOXYYJVWKS-NSHDSACASA-N 0 3 238.400 3.470 20 0 BGADHN Cc1cccc2ncc(CN3CCCCCC3)n21 ZINC000505461889 226355636 /nfs/dbraw/zinc/35/56/36/226355636.db2.gz NHJKKHOEIMPCFO-UHFFFAOYSA-N 0 3 243.354 3.019 20 0 BGADHN Cc1nc2ccccn2c1CN1CCCCCC1 ZINC000505467636 226355710 /nfs/dbraw/zinc/35/57/10/226355710.db2.gz OCYRZCCJOUQTKO-UHFFFAOYSA-N 0 3 243.354 3.019 20 0 BGADHN COc1ccccc1CCCN1CC=C(C)CC1 ZINC000505589912 534025771 /nfs/dbraw/zinc/02/57/71/534025771.db2.gz CEJSOCQDAQHNBZ-UHFFFAOYSA-N 0 3 245.366 3.280 20 0 BGADHN CC[C@@H]1CO[C@H](C)CN1Cc1cc(C)cc(C)c1 ZINC000505598017 529416675 /nfs/dbraw/zinc/41/66/75/529416675.db2.gz UUEGWNVGUMIFAJ-GDBMZVCRSA-N 0 3 247.382 3.303 20 0 BGADHN CC[C@@H]1CO[C@@H](C)CN1Cc1cc(C)cc(C)c1 ZINC000505598018 529413369 /nfs/dbraw/zinc/41/33/69/529413369.db2.gz UUEGWNVGUMIFAJ-GOEBONIOSA-N 0 3 247.382 3.303 20 0 BGADHN CC[C@H]1CO[C@@H](C)CN1Cc1cc(C)cc(C)c1 ZINC000505598019 529309707 /nfs/dbraw/zinc/30/97/07/529309707.db2.gz UUEGWNVGUMIFAJ-HOCLYGCPSA-N 0 3 247.382 3.303 20 0 BGADHN CC[C@H]1CO[C@H](C)CN1Cc1cc(C)cc(C)c1 ZINC000505598020 529311124 /nfs/dbraw/zinc/31/11/24/529311124.db2.gz UUEGWNVGUMIFAJ-ZBFHGGJFSA-N 0 3 247.382 3.303 20 0 BGADHN CCc1ccc(CN(C)Cc2ccn(C)c2)cc1 ZINC000505604574 529636133 /nfs/dbraw/zinc/63/61/33/529636133.db2.gz RYQKVQHLBFHMJZ-UHFFFAOYSA-N 0 3 242.366 3.220 20 0 BGADHN CC[C@H]1CO[C@@H](C)CN1Cc1cccc(C)c1C ZINC000505607853 529309831 /nfs/dbraw/zinc/30/98/31/529309831.db2.gz KONVXBRIFMZMHB-BBRMVZONSA-N 0 3 247.382 3.303 20 0 BGADHN CC[C@H]1CO[C@H](C)CN1Cc1cccc(C)c1C ZINC000505607854 529311537 /nfs/dbraw/zinc/31/15/37/529311537.db2.gz KONVXBRIFMZMHB-CJNGLKHVSA-N 0 3 247.382 3.303 20 0 BGADHN CC[C@@H]1CO[C@H](C)CN1Cc1cccc(C)c1C ZINC000505607855 529416648 /nfs/dbraw/zinc/41/66/48/529416648.db2.gz KONVXBRIFMZMHB-CZUORRHYSA-N 0 3 247.382 3.303 20 0 BGADHN CC[C@@H]1CO[C@@H](C)CN1Cc1cccc(C)c1C ZINC000505607856 529413528 /nfs/dbraw/zinc/41/35/28/529413528.db2.gz KONVXBRIFMZMHB-XJKSGUPXSA-N 0 3 247.382 3.303 20 0 BGADHN CCCCCN(Cc1cnc(C)cn1)C(C)C ZINC000505608924 528181173 /nfs/dbraw/zinc/18/11/73/528181173.db2.gz MLFVMXIUZKXVDX-UHFFFAOYSA-N 0 3 235.375 3.186 20 0 BGADHN CCc1ccc(CN(C)CC2=CCCOC2)cc1 ZINC000505614091 529635487 /nfs/dbraw/zinc/63/54/87/529635487.db2.gz VSBGOZYOCHUBSV-UHFFFAOYSA-N 0 3 245.366 3.028 20 0 BGADHN CC[C@@H]1CO[C@H](C)CN1Cc1cc(C)ccc1C ZINC000505617501 529416719 /nfs/dbraw/zinc/41/67/19/529416719.db2.gz ZFACEVGOVXRYEL-GDBMZVCRSA-N 0 3 247.382 3.303 20 0 BGADHN CC[C@@H]1CO[C@@H](C)CN1Cc1cc(C)ccc1C ZINC000505617502 529413838 /nfs/dbraw/zinc/41/38/38/529413838.db2.gz ZFACEVGOVXRYEL-GOEBONIOSA-N 0 3 247.382 3.303 20 0 BGADHN CC[C@H]1CO[C@@H](C)CN1Cc1cc(C)ccc1C ZINC000505617503 529309773 /nfs/dbraw/zinc/30/97/73/529309773.db2.gz ZFACEVGOVXRYEL-HOCLYGCPSA-N 0 3 247.382 3.303 20 0 BGADHN CC[C@H]1CO[C@H](C)CN1Cc1cc(C)ccc1C ZINC000505617504 529311072 /nfs/dbraw/zinc/31/10/72/529311072.db2.gz ZFACEVGOVXRYEL-ZBFHGGJFSA-N 0 3 247.382 3.303 20 0 BGADHN CC[C@@H]1CO[C@H](C)CN1Cc1ccc(C)cc1C ZINC000505643374 529416605 /nfs/dbraw/zinc/41/66/05/529416605.db2.gz ZKJXQAAEGGGWOO-GDBMZVCRSA-N 0 3 247.382 3.303 20 0 BGADHN CC[C@@H]1CO[C@@H](C)CN1Cc1ccc(C)cc1C ZINC000505643375 529413686 /nfs/dbraw/zinc/41/36/86/529413686.db2.gz ZKJXQAAEGGGWOO-GOEBONIOSA-N 0 3 247.382 3.303 20 0 BGADHN CC[C@H]1CO[C@@H](C)CN1Cc1ccc(C)cc1C ZINC000505643376 529310055 /nfs/dbraw/zinc/31/00/55/529310055.db2.gz ZKJXQAAEGGGWOO-HOCLYGCPSA-N 0 3 247.382 3.303 20 0 BGADHN CC[C@H]1CO[C@H](C)CN1Cc1ccc(C)cc1C ZINC000505643443 529311292 /nfs/dbraw/zinc/31/12/92/529311292.db2.gz ZKJXQAAEGGGWOO-ZBFHGGJFSA-N 0 3 247.382 3.303 20 0 BGADHN CCC1CCC(N(C)Cc2cnc(C)cn2)CC1 ZINC000505789436 527843360 /nfs/dbraw/zinc/84/33/60/527843360.db2.gz GQHHPQMHVISVTB-UHFFFAOYSA-N 0 3 247.386 3.186 20 0 BGADHN CC(C)N(Cc1ccccc1F)CC1CC1 ZINC000505798302 528951719 /nfs/dbraw/zinc/95/17/19/528951719.db2.gz ZUAQWMNZFMDWFL-UHFFFAOYSA-N 0 3 221.319 3.446 20 0 BGADHN Cc1nc2ccccn2c1CN1CCCC[C@H]1C ZINC000505847653 226360587 /nfs/dbraw/zinc/36/05/87/226360587.db2.gz DELHEBGYHQULEG-GFCCVEGCSA-N 0 3 243.354 3.017 20 0 BGADHN Cc1nc2ccccn2c1CN1CCCC[C@@H]1C ZINC000505847654 226360595 /nfs/dbraw/zinc/36/05/95/226360595.db2.gz DELHEBGYHQULEG-LBPRGKRZSA-N 0 3 243.354 3.017 20 0 BGADHN CCCc1ccc(CN2CCSCC2)cc1 ZINC000505847810 528620101 /nfs/dbraw/zinc/62/01/01/528620101.db2.gz GYNHXYWTQNQSDP-UHFFFAOYSA-N 0 3 235.396 3.188 20 0 BGADHN COc1ccc(C)cc1CN1CCC(C)CC1 ZINC000505847970 533386691 /nfs/dbraw/zinc/38/66/91/533386691.db2.gz JZPWSFKRGDZANC-UHFFFAOYSA-N 0 3 233.355 3.236 20 0 BGADHN CCCCN(CC)Cc1ccc(CC)o1 ZINC000505848559 528395172 /nfs/dbraw/zinc/39/51/72/528395172.db2.gz VJBFPUSJRXSHMG-UHFFFAOYSA-N 0 3 209.333 3.464 20 0 BGADHN CCCCN(CC)Cc1cnc2cccc(C)n12 ZINC000505853638 528394643 /nfs/dbraw/zinc/39/46/43/528394643.db2.gz QPDLYPUHORPGOW-UHFFFAOYSA-N 0 3 245.370 3.265 20 0 BGADHN Cc1cc(CN2CCC(C)CC2)ccc1F ZINC000505858677 533592740 /nfs/dbraw/zinc/59/27/40/533592740.db2.gz IEUZRRKSAUISJH-UHFFFAOYSA-N 0 3 221.319 3.366 20 0 BGADHN CC(C)CCN(CCC(C)C)Cc1cc[nH]n1 ZINC000505859082 527719283 /nfs/dbraw/zinc/71/92/83/527719283.db2.gz PFYNNQBXBGKOAP-UHFFFAOYSA-N 0 3 237.391 3.304 20 0 BGADHN CC(C)N(C)Cc1cnc(-c2ccncc2)s1 ZINC000505868283 528838937 /nfs/dbraw/zinc/83/89/37/528838937.db2.gz LWZUNNJVYGUYDK-UHFFFAOYSA-N 0 3 247.367 3.045 20 0 BGADHN Cc1cc(F)ccc1CN1CCC(C)CC1 ZINC000505868585 533877529 /nfs/dbraw/zinc/87/75/29/533877529.db2.gz PGLCPBHCCVKSCB-UHFFFAOYSA-N 0 3 221.319 3.366 20 0 BGADHN CCc1ncc(CN2CCCC[C@@H]2C)s1 ZINC000505869245 529753275 /nfs/dbraw/zinc/75/32/75/529753275.db2.gz WAKOMDVHMZHXRZ-JTQLQIEISA-N 0 3 224.373 3.080 20 0 BGADHN CCc1ncc(CN2CCCC[C@H]2C)s1 ZINC000505869246 529753371 /nfs/dbraw/zinc/75/33/71/529753371.db2.gz WAKOMDVHMZHXRZ-SNVBAGLBSA-N 0 3 224.373 3.080 20 0 BGADHN CCCCN(CC)Cc1c(C)nc2ccccn21 ZINC000505876430 528392735 /nfs/dbraw/zinc/39/27/35/528392735.db2.gz IOBZKTSUVNJWGD-UHFFFAOYSA-N 0 3 245.370 3.265 20 0 BGADHN COc1ccc(C)cc1CN1CCCC[C@H]1C ZINC000505881044 533386712 /nfs/dbraw/zinc/38/67/12/533386712.db2.gz DDGJVEPHFZPPMB-CYBMUJFWSA-N 0 3 233.355 3.378 20 0 BGADHN COc1ccc(C)cc1CN1CCCC[C@@H]1C ZINC000505881045 533385602 /nfs/dbraw/zinc/38/56/02/533385602.db2.gz DDGJVEPHFZPPMB-ZDUSSCGKSA-N 0 3 233.355 3.378 20 0 BGADHN Cc1nn(C(C)(C)C)c(C)c1CN(C)C(C)C ZINC000505881456 226360896 /nfs/dbraw/zinc/36/08/96/226360896.db2.gz MANXAMQZSWNPCL-UHFFFAOYSA-N 0 3 237.391 3.095 20 0 BGADHN CCCCN(C)Cc1cc(C)ccc1F ZINC000505891268 528359766 /nfs/dbraw/zinc/35/97/66/528359766.db2.gz JFOPVLHNGVRHGD-UHFFFAOYSA-N 0 3 209.308 3.366 20 0 BGADHN Cc1ccc(CN2CCC(C)CC2)cc1F ZINC000505891951 533917128 /nfs/dbraw/zinc/91/71/28/533917128.db2.gz SLWJSNYSEJZFOV-UHFFFAOYSA-N 0 3 221.319 3.366 20 0 BGADHN Cc1cccc2ncc(CN3CCCC[C@H]3C)n21 ZINC000505894994 226361646 /nfs/dbraw/zinc/36/16/46/226361646.db2.gz SNOHECTYVLNDKL-GFCCVEGCSA-N 0 3 243.354 3.017 20 0 BGADHN Cc1cccc2ncc(CN3CCCC[C@@H]3C)n21 ZINC000505894995 226361534 /nfs/dbraw/zinc/36/15/34/226361534.db2.gz SNOHECTYVLNDKL-LBPRGKRZSA-N 0 3 243.354 3.017 20 0 BGADHN CCOc1cccc(CN2CCC(C)CC2)c1 ZINC000505903217 226361586 /nfs/dbraw/zinc/36/15/86/226361586.db2.gz NJTWECAUKFPKPD-UHFFFAOYSA-N 0 3 233.355 3.317 20 0 BGADHN Cc1ccc(F)c(CN2CCC(C)CC2)c1 ZINC000505906987 226361349 /nfs/dbraw/zinc/36/13/49/226361349.db2.gz HPTLQWIJNLAILL-UHFFFAOYSA-N 0 3 221.319 3.366 20 0 BGADHN CCCCN(CC)Cc1sccc1OC ZINC000505911352 528395061 /nfs/dbraw/zinc/39/50/61/528395061.db2.gz CCUZXHBGCTTXMA-UHFFFAOYSA-N 0 3 227.373 3.379 20 0 BGADHN CC(C)CCN(C)Cc1cc(F)cc(F)c1 ZINC000506222719 386186428 /nfs/dbraw/zinc/18/64/28/386186428.db2.gz ZJXTWBQNIHMUQH-UHFFFAOYSA-N 0 3 227.298 3.443 20 0 BGADHN CN(Cc1ccc(F)cc1F)CC(C)(C)C ZINC000506366952 529988336 /nfs/dbraw/zinc/98/83/36/529988336.db2.gz BHQGJWROOKSZBY-UHFFFAOYSA-N 0 3 227.298 3.443 20 0 BGADHN CC[C@H]1CN(CC2CCCCCC2)CCO1 ZINC000506368578 529290875 /nfs/dbraw/zinc/29/08/75/529290875.db2.gz JGRCYFWUWCWWEH-AWEZNQCLSA-N 0 3 225.376 3.068 20 0 BGADHN CC[C@@H]1CN(CC2CCCCCC2)CCO1 ZINC000506368580 529389840 /nfs/dbraw/zinc/38/98/40/529389840.db2.gz JGRCYFWUWCWWEH-CQSZACIVSA-N 0 3 225.376 3.068 20 0 BGADHN CC[C@H](CN1CCO[C@H](CC)C1)c1ccccc1 ZINC000506379600 529336009 /nfs/dbraw/zinc/33/60/09/529336009.db2.gz GSDCXECENWJNTR-GDBMZVCRSA-N 0 3 247.382 3.291 20 0 BGADHN CC[C@@H](CN1CCO[C@H](CC)C1)c1ccccc1 ZINC000506379601 529474256 /nfs/dbraw/zinc/47/42/56/529474256.db2.gz GSDCXECENWJNTR-GOEBONIOSA-N 0 3 247.382 3.291 20 0 BGADHN CC[C@@H](CN1CCO[C@@H](CC)C1)c1ccccc1 ZINC000506379602 529473746 /nfs/dbraw/zinc/47/37/46/529473746.db2.gz GSDCXECENWJNTR-HOCLYGCPSA-N 0 3 247.382 3.291 20 0 BGADHN CC[C@H](CN1CCO[C@@H](CC)C1)c1ccccc1 ZINC000506379603 529335667 /nfs/dbraw/zinc/33/56/67/529335667.db2.gz GSDCXECENWJNTR-ZBFHGGJFSA-N 0 3 247.382 3.291 20 0 BGADHN CCCCCN(C/C=C\c1ccccc1)CCO ZINC000506383948 528164463 /nfs/dbraw/zinc/16/44/63/528164463.db2.gz VNXPBSPBRWYLHA-FLIBITNWSA-N 0 3 247.382 3.184 20 0 BGADHN COc1ccc(CN(C)CC(C)C)c(Cl)c1 ZINC000506417852 533537578 /nfs/dbraw/zinc/53/75/78/533537578.db2.gz UKZHVDGSWONCTG-UHFFFAOYSA-N 0 3 241.762 3.436 20 0 BGADHN CCCN(C)Cc1cc(C)ccc1OC(F)F ZINC000506440122 527851288 /nfs/dbraw/zinc/85/12/88/527851288.db2.gz TUWUCOGRFCUERG-UHFFFAOYSA-N 0 3 243.297 3.438 20 0 BGADHN CCN(CCOC)C/C(C)=C\c1ccccc1 ZINC000506459288 528564033 /nfs/dbraw/zinc/56/40/33/528564033.db2.gz HPVNPZQIPCFTEY-OWBHPGMISA-N 0 3 233.355 3.058 20 0 BGADHN CCN(CCOC)C/C(C)=C/c1ccccc1 ZINC000506459289 528563963 /nfs/dbraw/zinc/56/39/63/528563963.db2.gz HPVNPZQIPCFTEY-WYMLVPIESA-N 0 3 233.355 3.058 20 0 BGADHN CCCN(CCC)Cc1cc(OC)ccc1F ZINC000506863690 528060754 /nfs/dbraw/zinc/06/07/54/528060754.db2.gz FWKFLKFUPOQPQH-UHFFFAOYSA-N 0 3 239.334 3.456 20 0 BGADHN CCCCN(CC)Cc1cc(OC)ccc1F ZINC000506881239 528394574 /nfs/dbraw/zinc/39/45/74/528394574.db2.gz NHHHXXCXBJFDNE-UHFFFAOYSA-N 0 3 239.334 3.456 20 0 BGADHN CCC[C@@H](C)N(C)Cc1cnc2cc(C)ccn12 ZINC000506993979 528888006 /nfs/dbraw/zinc/88/80/06/528888006.db2.gz BYAYMSIFQAEFEF-CYBMUJFWSA-N 0 3 245.370 3.263 20 0 BGADHN CCC[C@H](C)N(C)Cc1cnc2cc(C)ccn12 ZINC000506993981 528047109 /nfs/dbraw/zinc/04/71/09/528047109.db2.gz BYAYMSIFQAEFEF-ZDUSSCGKSA-N 0 3 245.370 3.263 20 0 BGADHN CCC[C@@H](C)N(C)Cc1ccc(CC)o1 ZINC000506994928 528888698 /nfs/dbraw/zinc/88/86/98/528888698.db2.gz MARHQHKXPUCZEO-LLVKDONJSA-N 0 3 209.333 3.462 20 0 BGADHN CCC[C@H](C)N(C)Cc1ccc(CC)o1 ZINC000506994929 528048084 /nfs/dbraw/zinc/04/80/84/528048084.db2.gz MARHQHKXPUCZEO-NSHDSACASA-N 0 3 209.333 3.462 20 0 BGADHN CCC[C@@H](C)N(C)Cc1c[nH]nc1C(C)(C)C ZINC000507001004 528887321 /nfs/dbraw/zinc/88/73/21/528887321.db2.gz HLGSBSOKGCRMEV-LLVKDONJSA-N 0 3 237.391 3.328 20 0 BGADHN CCC[C@H](C)N(C)Cc1c[nH]nc1C(C)(C)C ZINC000507001005 528047889 /nfs/dbraw/zinc/04/78/89/528047889.db2.gz HLGSBSOKGCRMEV-NSHDSACASA-N 0 3 237.391 3.328 20 0 BGADHN CCC[C@@H](C)N(C)Cc1cnc2c(C)cccn12 ZINC000507003110 528888971 /nfs/dbraw/zinc/88/89/71/528888971.db2.gz TZLDBWGTHFXKFP-CYBMUJFWSA-N 0 3 245.370 3.263 20 0 BGADHN CCC[C@H](C)N(C)Cc1cnc2c(C)cccn12 ZINC000507003113 528046943 /nfs/dbraw/zinc/04/69/43/528046943.db2.gz TZLDBWGTHFXKFP-ZDUSSCGKSA-N 0 3 245.370 3.263 20 0 BGADHN CCC[C@@H](C)N(C)Cc1cnc2ccc(C)cn12 ZINC000507011532 528888287 /nfs/dbraw/zinc/88/82/87/528888287.db2.gz BCJHKXVHIHOPPE-CYBMUJFWSA-N 0 3 245.370 3.263 20 0 BGADHN CCC[C@H](C)N(C)Cc1cnc2ccc(C)cn12 ZINC000507011534 528047971 /nfs/dbraw/zinc/04/79/71/528047971.db2.gz BCJHKXVHIHOPPE-ZDUSSCGKSA-N 0 3 245.370 3.263 20 0 BGADHN CN(Cc1cc2cc(F)ccc2o1)C1CC1 ZINC000507109739 529980540 /nfs/dbraw/zinc/98/05/40/529980540.db2.gz FUQQIIUKJMBQRY-UHFFFAOYSA-N 0 3 219.259 3.166 20 0 BGADHN CCN(Cc1cc(OC)ccc1F)C(C)C ZINC000507112366 528768863 /nfs/dbraw/zinc/76/88/63/528768863.db2.gz UZEZTUVLLGVQCE-UHFFFAOYSA-N 0 3 225.307 3.065 20 0 BGADHN COCCN(Cc1cc2ccccc2o1)C1CC1 ZINC000507115463 226365601 /nfs/dbraw/zinc/36/56/01/226365601.db2.gz HKPWCLGUHLTAHX-UHFFFAOYSA-N 0 3 245.322 3.044 20 0 BGADHN CCN(Cc1sccc1OC)CC(C)C ZINC000507116282 528920716 /nfs/dbraw/zinc/92/07/16/528920716.db2.gz KRJDLCYTBBFXFG-UHFFFAOYSA-N 0 3 227.373 3.235 20 0 BGADHN CCCCCN(CCO)Cc1ccsc1C ZINC000507116790 528180119 /nfs/dbraw/zinc/18/01/19/528180119.db2.gz RXTTXVMUMCWEOL-UHFFFAOYSA-N 0 3 241.400 3.041 20 0 BGADHN COCCN(Cc1cc(C)c(C)cc1C)C1CC1 ZINC000507117245 226365685 /nfs/dbraw/zinc/36/56/85/226365685.db2.gz PRCUAAPNEUHBKP-UHFFFAOYSA-N 0 3 247.382 3.223 20 0 BGADHN COCCN(C)Cc1ccc(C2CCC2)cc1 ZINC000507119266 226365575 /nfs/dbraw/zinc/36/55/75/226365575.db2.gz WIEOWJAEHQMEFP-UHFFFAOYSA-N 0 3 233.355 3.032 20 0 BGADHN CCOc1cccc(CN2CCC[C@H]2C(C)C)n1 ZINC000507121050 226365433 /nfs/dbraw/zinc/36/54/33/226365433.db2.gz MNBIWCTXYOILHS-AWEZNQCLSA-N 0 3 248.370 3.101 20 0 BGADHN CCOc1cccc(CN2CCC[C@@H]2C(C)C)n1 ZINC000507121052 226365658 /nfs/dbraw/zinc/36/56/58/226365658.db2.gz MNBIWCTXYOILHS-CQSZACIVSA-N 0 3 248.370 3.101 20 0 BGADHN CCN(Cc1cnc2cccc(C)n12)CC(C)C ZINC000507131509 528871214 /nfs/dbraw/zinc/87/12/14/528871214.db2.gz IXWZJXNVIWWPGC-UHFFFAOYSA-N 0 3 245.370 3.121 20 0 BGADHN CC(C)[C@@H]1CCCN1Cc1nc2ccccc2[nH]1 ZINC000507131871 528675795 /nfs/dbraw/zinc/67/57/95/528675795.db2.gz MDZSWXKAWORJRA-AWEZNQCLSA-N 0 3 243.354 3.183 20 0 BGADHN CC(C)[C@H]1CCCN1Cc1nc2ccccc2[nH]1 ZINC000507131873 527784651 /nfs/dbraw/zinc/78/46/51/527784651.db2.gz MDZSWXKAWORJRA-CQSZACIVSA-N 0 3 243.354 3.183 20 0 BGADHN CCCCOc1ccc(CN(C)C2CC2)cc1 ZINC000507133032 528671881 /nfs/dbraw/zinc/67/18/81/528671881.db2.gz RVDDCLHHUQVVLY-UHFFFAOYSA-N 0 3 233.355 3.460 20 0 BGADHN CN(Cc1ccc2c(c1)CCC(C)(C)O2)C1CC1 ZINC000507133157 529991149 /nfs/dbraw/zinc/99/11/49/529991149.db2.gz ZPAFSGCBRKOTHU-UHFFFAOYSA-N 0 3 245.366 3.384 20 0 BGADHN CC[C@@H](C)N(C)Cc1ncccc1C(F)(F)F ZINC000507140529 529344978 /nfs/dbraw/zinc/34/49/78/529344978.db2.gz FDKBQINHDOZOLV-SECBINFHSA-N 0 3 246.276 3.331 20 0 BGADHN CC[C@H](C)N(C)Cc1ncccc1C(F)(F)F ZINC000507140530 529691499 /nfs/dbraw/zinc/69/14/99/529691499.db2.gz FDKBQINHDOZOLV-VIFPVBQESA-N 0 3 246.276 3.331 20 0 BGADHN CC(C)[C@@H]1CCCN1Cc1cnn(C(C)(C)C)c1 ZINC000507140859 528675677 /nfs/dbraw/zinc/67/56/77/528675677.db2.gz FFPFBZFJQXCBNE-AWEZNQCLSA-N 0 3 249.402 3.259 20 0 BGADHN CC(C)[C@H]1CCCN1Cc1cnn(C(C)(C)C)c1 ZINC000507140860 527784940 /nfs/dbraw/zinc/78/49/40/527784940.db2.gz FFPFBZFJQXCBNE-CQSZACIVSA-N 0 3 249.402 3.259 20 0 BGADHN CCN(CCOC)Cc1ccc(C2CCC2)cc1 ZINC000507142181 528562539 /nfs/dbraw/zinc/56/25/39/528562539.db2.gz IRMPQARCMMTSAD-UHFFFAOYSA-N 0 3 247.382 3.422 20 0 BGADHN CCN(CCOC)Cc1cc(C)cc(Cl)c1 ZINC000507143941 528562592 /nfs/dbraw/zinc/56/25/92/528562592.db2.gz PEIFPXQXNRXPJL-UHFFFAOYSA-N 0 3 241.762 3.117 20 0 BGADHN COCCN(C/C(C)=C\c1ccccc1)C1CC1 ZINC000507158375 226366070 /nfs/dbraw/zinc/36/60/70/226366070.db2.gz DIFOHGHJNQFPDQ-OWBHPGMISA-N 0 3 245.366 3.201 20 0 BGADHN COCCN(C/C(C)=C/c1ccccc1)C1CC1 ZINC000507158376 226366320 /nfs/dbraw/zinc/36/63/20/226366320.db2.gz DIFOHGHJNQFPDQ-WYMLVPIESA-N 0 3 245.366 3.201 20 0 BGADHN CCCc1ccc(CN(CCOC)C2CC2)cc1 ZINC000507160309 528620310 /nfs/dbraw/zinc/62/03/10/528620310.db2.gz LGMAAXKONPNFPE-UHFFFAOYSA-N 0 3 247.382 3.250 20 0 BGADHN CCc1nocc1CN(CCC(C)C)C1CC1 ZINC000507160569 226366266 /nfs/dbraw/zinc/36/62/66/226366266.db2.gz MESRXIIADNRYBB-UHFFFAOYSA-N 0 3 236.359 3.248 20 0 BGADHN C[C@@H]1CCN(CCOc2ccccc2Cl)C1 ZINC000507176369 534034878 /nfs/dbraw/zinc/03/48/78/534034878.db2.gz FVRAPRVAGOAXIS-LLVKDONJSA-N 0 3 239.746 3.061 20 0 BGADHN C[C@H]1CCN(CCOc2ccccc2Cl)C1 ZINC000507176370 226366709 /nfs/dbraw/zinc/36/67/09/226366709.db2.gz FVRAPRVAGOAXIS-NSHDSACASA-N 0 3 239.746 3.061 20 0 BGADHN Cc1cccc2ncc(CN(C)[C@H](C)C(C)C)n21 ZINC000507185940 226366733 /nfs/dbraw/zinc/36/67/33/226366733.db2.gz ACWXRJZEBSKDMR-CYBMUJFWSA-N 0 3 245.370 3.119 20 0 BGADHN Cc1cccc2ncc(CN(C)[C@@H](C)C(C)C)n21 ZINC000507185941 226366796 /nfs/dbraw/zinc/36/67/96/226366796.db2.gz ACWXRJZEBSKDMR-ZDUSSCGKSA-N 0 3 245.370 3.119 20 0 BGADHN CCc1nocc1CN(C)[C@H]1CCC[C@H](C)C1 ZINC000507186286 226366783 /nfs/dbraw/zinc/36/67/83/226366783.db2.gz CRGYBQZODJNJNK-AAEUAGOBSA-N 0 3 236.359 3.248 20 0 BGADHN CCc1nocc1CN(C)[C@@H]1CCC[C@@H](C)C1 ZINC000507186288 226366774 /nfs/dbraw/zinc/36/67/74/226366774.db2.gz CRGYBQZODJNJNK-DGCLKSJQSA-N 0 3 236.359 3.248 20 0 BGADHN CCc1nocc1CN(C)[C@@H]1CCC[C@H](C)C1 ZINC000507186289 226366713 /nfs/dbraw/zinc/36/67/13/226366713.db2.gz CRGYBQZODJNJNK-WCQYABFASA-N 0 3 236.359 3.248 20 0 BGADHN CCc1nocc1CN(C)[C@H]1CCC[C@@H](C)C1 ZINC000507186291 226366575 /nfs/dbraw/zinc/36/65/75/226366575.db2.gz CRGYBQZODJNJNK-YPMHNXCESA-N 0 3 236.359 3.248 20 0 BGADHN COCCN(Cc1coc2ccccc12)C1CC1 ZINC000507186366 226366901 /nfs/dbraw/zinc/36/69/01/226366901.db2.gz DDGBKACSYIZBAS-UHFFFAOYSA-N 0 3 245.322 3.044 20 0 BGADHN CCN(Cc1ccc(Cl)o1)CC(C)C ZINC000507186455 528784044 /nfs/dbraw/zinc/78/40/44/528784044.db2.gz DVTNPRXICIJNAJ-UHFFFAOYSA-N 0 3 215.724 3.411 20 0 BGADHN CCC1CCC(N(C)Cc2conc2C)CC1 ZINC000507188288 527843872 /nfs/dbraw/zinc/84/38/72/527843872.db2.gz PHGFBCJWCKSXKN-UHFFFAOYSA-N 0 3 236.359 3.384 20 0 BGADHN CC[C@H](C)N(C)Cc1cnc(C(C)C)s1 ZINC000507188536 529691200 /nfs/dbraw/zinc/69/12/00/529691200.db2.gz PUMWOEGVWJCUTA-JTQLQIEISA-N 0 3 226.389 3.497 20 0 BGADHN CC[C@@H](C)N(C)Cc1cnc(C(C)C)s1 ZINC000507188537 529345009 /nfs/dbraw/zinc/34/50/09/529345009.db2.gz PUMWOEGVWJCUTA-SNVBAGLBSA-N 0 3 226.389 3.497 20 0 BGADHN CC[C@@H](C)N(C)Cc1cccc2c1OCCCO2 ZINC000507189988 529345233 /nfs/dbraw/zinc/34/52/33/529345233.db2.gz XSUPSGYLRILLQP-GFCCVEGCSA-N 0 3 249.354 3.078 20 0 BGADHN CC[C@H](C)N(C)Cc1cccc2c1OCCCO2 ZINC000507189989 529691158 /nfs/dbraw/zinc/69/11/58/529691158.db2.gz XSUPSGYLRILLQP-LBPRGKRZSA-N 0 3 249.354 3.078 20 0 BGADHN COc1ccc(F)c(CN(C)[C@H](C)C(C)C)c1 ZINC000507190019 226366906 /nfs/dbraw/zinc/36/69/06/226366906.db2.gz KDBBLPDGCRUFLM-LLVKDONJSA-N 0 3 239.334 3.311 20 0 BGADHN COc1ccc(F)c(CN(C)[C@@H](C)C(C)C)c1 ZINC000507190023 226366680 /nfs/dbraw/zinc/36/66/80/226366680.db2.gz KDBBLPDGCRUFLM-NSHDSACASA-N 0 3 239.334 3.311 20 0 BGADHN CCC1CCC(N(C)Cc2ccnc(C)n2)CC1 ZINC000507190435 527843801 /nfs/dbraw/zinc/84/38/01/527843801.db2.gz ZJTIEDNTEKDHIC-UHFFFAOYSA-N 0 3 247.386 3.186 20 0 BGADHN Cc1cccn2c(CN(C)[C@H](C)C(C)C)cnc12 ZINC000507193457 534842795 /nfs/dbraw/zinc/84/27/95/534842795.db2.gz UYWBNWFIKWQBTD-CYBMUJFWSA-N 0 3 245.370 3.119 20 0 BGADHN Cc1cccn2c(CN(C)[C@@H](C)C(C)C)cnc12 ZINC000507193459 534842310 /nfs/dbraw/zinc/84/23/10/534842310.db2.gz UYWBNWFIKWQBTD-ZDUSSCGKSA-N 0 3 245.370 3.119 20 0 BGADHN CC(C)[C@@H](C)N(C)Cc1c[nH]nc1C(C)(C)C ZINC000507193793 528407078 /nfs/dbraw/zinc/40/70/78/528407078.db2.gz PYADGOUCOFYAQU-LLVKDONJSA-N 0 3 237.391 3.184 20 0 BGADHN CC(C)[C@H](C)N(C)Cc1c[nH]nc1C(C)(C)C ZINC000507194094 528959080 /nfs/dbraw/zinc/95/90/80/528959080.db2.gz PYADGOUCOFYAQU-NSHDSACASA-N 0 3 237.391 3.184 20 0 BGADHN CCCCN(Cc1occc1C)C1CC1 ZINC000507194129 528447318 /nfs/dbraw/zinc/44/73/18/528447318.db2.gz PZXGULYTZDRXAO-UHFFFAOYSA-N 0 3 207.317 3.353 20 0 BGADHN CC(C)[C@@H](C)N(C)Cc1nc2ccccc2[nH]1 ZINC000507201689 528407503 /nfs/dbraw/zinc/40/75/03/528407503.db2.gz HEMUNRPQYQYWOH-LLVKDONJSA-N 0 3 231.343 3.039 20 0 BGADHN CC(C)[C@H](C)N(C)Cc1nc2ccccc2[nH]1 ZINC000507201690 528959054 /nfs/dbraw/zinc/95/90/54/528959054.db2.gz HEMUNRPQYQYWOH-NSHDSACASA-N 0 3 231.343 3.039 20 0 BGADHN Cc1ccc(C)c([C@@H](C)N(C)Cc2cnc[nH]2)c1 ZINC000507202711 387616887 /nfs/dbraw/zinc/61/68/87/387616887.db2.gz KQVIZRKCCQOYPX-CYBMUJFWSA-N 0 3 243.354 3.220 20 0 BGADHN Cc1ccc(C)c([C@H](C)N(C)Cc2cnc[nH]2)c1 ZINC000507202717 387617474 /nfs/dbraw/zinc/61/74/74/387617474.db2.gz KQVIZRKCCQOYPX-ZDUSSCGKSA-N 0 3 243.354 3.220 20 0 BGADHN CC(C)[C@H](C)N(C)Cc1ccc(F)cc1F ZINC000507203837 528959230 /nfs/dbraw/zinc/95/92/30/528959230.db2.gz OKTFZPKZAFUCKS-JTQLQIEISA-N 0 3 227.298 3.441 20 0 BGADHN CC(C)[C@@H](C)N(C)Cc1ccc(F)cc1F ZINC000507203839 528406810 /nfs/dbraw/zinc/40/68/10/528406810.db2.gz OKTFZPKZAFUCKS-SNVBAGLBSA-N 0 3 227.298 3.441 20 0 BGADHN CCCN(Cc1ccsc1C)C1CC1 ZINC000507208859 528149706 /nfs/dbraw/zinc/14/97/06/528149706.db2.gz GJFVTFXMEUZCIJ-UHFFFAOYSA-N 0 3 209.358 3.431 20 0 BGADHN CC(C)[C@@H](C)N(C)Cc1cnn(C(C)(C)C)c1 ZINC000507209974 528407477 /nfs/dbraw/zinc/40/74/77/528407477.db2.gz IWFHGHUHFIIVQT-GFCCVEGCSA-N 0 3 237.391 3.114 20 0 BGADHN CC(C)[C@H](C)N(C)Cc1cnn(C(C)(C)C)c1 ZINC000507209975 528959643 /nfs/dbraw/zinc/95/96/43/528959643.db2.gz IWFHGHUHFIIVQT-LBPRGKRZSA-N 0 3 237.391 3.114 20 0 BGADHN Cc1cc(CCN[C@H](C)c2cccc(F)c2)on1 ZINC000507211505 226367447 /nfs/dbraw/zinc/36/74/47/226367447.db2.gz MPOCZOYTTSBFCX-LLVKDONJSA-N 0 3 248.301 3.015 20 0 BGADHN Cc1cc(CCN[C@@H](C)c2cccc(F)c2)on1 ZINC000507211509 226367498 /nfs/dbraw/zinc/36/74/98/226367498.db2.gz MPOCZOYTTSBFCX-NSHDSACASA-N 0 3 248.301 3.015 20 0 BGADHN CCCCN(Cc1conc1CC)C1CC1 ZINC000507212214 528447763 /nfs/dbraw/zinc/44/77/63/528447763.db2.gz OFUJDZMFEDFOAN-UHFFFAOYSA-N 0 3 222.332 3.002 20 0 BGADHN CCCN(Cc1cc(OC)ccc1F)C1CC1 ZINC000507213888 528131740 /nfs/dbraw/zinc/13/17/40/528131740.db2.gz QJQQTWFYQQHKEA-UHFFFAOYSA-N 0 3 237.318 3.209 20 0 BGADHN Cc1cc(CCN[C@H](C)c2ccccc2F)on1 ZINC000507214925 226367337 /nfs/dbraw/zinc/36/73/37/226367337.db2.gz RHAIJHNAYKAACP-LLVKDONJSA-N 0 3 248.301 3.015 20 0 BGADHN Cc1cc(CCN[C@@H](C)c2ccccc2F)on1 ZINC000507214926 226367505 /nfs/dbraw/zinc/36/75/05/226367505.db2.gz RHAIJHNAYKAACP-NSHDSACASA-N 0 3 248.301 3.015 20 0 BGADHN Cc1ccc2ncc(CN(C)[C@H](C)C(C)C)n2c1 ZINC000507217170 226367625 /nfs/dbraw/zinc/36/76/25/226367625.db2.gz WLEIIRAEVRSNQU-CYBMUJFWSA-N 0 3 245.370 3.119 20 0 BGADHN Cc1ccc2ncc(CN(C)[C@@H](C)C(C)C)n2c1 ZINC000507217172 534513946 /nfs/dbraw/zinc/51/39/46/534513946.db2.gz WLEIIRAEVRSNQU-ZDUSSCGKSA-N 0 3 245.370 3.119 20 0 BGADHN CC(C)CCN(C)C[C@@H]1OCCc2ccccc21 ZINC000507220094 527709674 /nfs/dbraw/zinc/70/96/74/527709674.db2.gz TXAGDAFOOJGNRY-INIZCTEOSA-N 0 3 247.382 3.278 20 0 BGADHN CC(C)CCN(C)C[C@H]1OCCc2ccccc21 ZINC000507220095 527709955 /nfs/dbraw/zinc/70/99/55/527709955.db2.gz TXAGDAFOOJGNRY-MRXNPFEDSA-N 0 3 247.382 3.278 20 0 BGADHN CC(C)[C@@H](C)N(C)Cc1ccc(Cl)o1 ZINC000507220900 528406657 /nfs/dbraw/zinc/40/66/57/528406657.db2.gz BIECDMHBAKGLGR-SECBINFHSA-N 0 3 215.724 3.409 20 0 BGADHN CC(C)[C@H](C)N(C)Cc1ccc(Cl)o1 ZINC000507220901 528959878 /nfs/dbraw/zinc/95/98/78/528959878.db2.gz BIECDMHBAKGLGR-VIFPVBQESA-N 0 3 215.724 3.409 20 0 BGADHN CCCOc1cccc(CN(CC)C2CC2)c1 ZINC000507220933 528751921 /nfs/dbraw/zinc/75/19/21/528751921.db2.gz BUFBQHHZZDXLLO-UHFFFAOYSA-N 0 3 233.355 3.460 20 0 BGADHN CCOc1ccc(CN(CC)C2CC2)cc1OC ZINC000507221237 528432183 /nfs/dbraw/zinc/43/21/83/528432183.db2.gz HEMASYGVOXCEQP-UHFFFAOYSA-N 0 3 249.354 3.078 20 0 BGADHN CCCCN(Cc1cnn(C(C)(C)C)c1)C1CC1 ZINC000507221546 528447486 /nfs/dbraw/zinc/44/74/86/528447486.db2.gz LCKHGEVMLHWKHH-UHFFFAOYSA-N 0 3 249.402 3.403 20 0 BGADHN CCCCN(Cc1cccnc1C)C1CC1 ZINC000507221620 528445254 /nfs/dbraw/zinc/44/52/54/528445254.db2.gz MGKPZNDWNYBDNR-UHFFFAOYSA-N 0 3 218.344 3.155 20 0 BGADHN C[C@@H](NCC1(C(F)(F)F)CC1)c1ccncc1 ZINC000507226125 226367496 /nfs/dbraw/zinc/36/74/96/226367496.db2.gz BKGFAGYCQVRNMS-SECBINFHSA-N 0 3 244.260 3.075 20 0 BGADHN C[C@H](NCC1(C(F)(F)F)CC1)c1ccncc1 ZINC000507226126 226367607 /nfs/dbraw/zinc/36/76/07/226367607.db2.gz BKGFAGYCQVRNMS-VIFPVBQESA-N 0 3 244.260 3.075 20 0 BGADHN CCN(Cc1c(C)nn(C(C)(C)C)c1C)C1CC1 ZINC000507227199 528755716 /nfs/dbraw/zinc/75/57/16/528755716.db2.gz DSHRZJLZZONMKW-UHFFFAOYSA-N 0 3 249.402 3.239 20 0 BGADHN CCN(Cc1cccc2c1OC(C)(C)C2)C1CC1 ZINC000507227733 528815681 /nfs/dbraw/zinc/81/56/81/528815681.db2.gz FAZKJCMZEHFZNX-UHFFFAOYSA-N 0 3 245.366 3.384 20 0 BGADHN CCN(Cc1cc(OC)ccc1F)CC(C)C ZINC000507227806 528768340 /nfs/dbraw/zinc/76/83/40/528768340.db2.gz FYWUOUVFWDURQK-UHFFFAOYSA-N 0 3 239.334 3.312 20 0 BGADHN CCc1nocc1CN(CC)C1CCCC1 ZINC000507231014 226368000 /nfs/dbraw/zinc/36/80/00/226368000.db2.gz PJWATKBXYXDDQF-UHFFFAOYSA-N 0 3 222.332 3.002 20 0 BGADHN COCc1ccccc1/C=C(\C)CN(C)C1CC1 ZINC000507232598 533253936 /nfs/dbraw/zinc/25/39/36/533253936.db2.gz OKPUNFVSRCAJEJ-JLHYYAGUSA-N 0 3 245.366 3.331 20 0 BGADHN COCc1ccccc1/C=C(/C)CN(C)C1CC1 ZINC000507232599 226368046 /nfs/dbraw/zinc/36/80/46/226368046.db2.gz OKPUNFVSRCAJEJ-RAXLEYEMSA-N 0 3 245.366 3.331 20 0 BGADHN CCCCN(Cc1cccc2c1OCO2)C1CC1 ZINC000507233805 528444471 /nfs/dbraw/zinc/44/44/71/528444471.db2.gz RLCBNHYETZIMHG-UHFFFAOYSA-N 0 3 247.338 3.180 20 0 BGADHN CCCN(Cc1ccc(Cl)o1)C1CC1 ZINC000507233932 528136264 /nfs/dbraw/zinc/13/62/64/528136264.db2.gz WJOCRSUKPVLWQK-UHFFFAOYSA-N 0 3 213.708 3.307 20 0 BGADHN CCCCN(Cc1ccc(C)cn1)C1CC1 ZINC000507235088 528442665 /nfs/dbraw/zinc/44/26/65/528442665.db2.gz ZBIWBGPRSJPFGB-UHFFFAOYSA-N 0 3 218.344 3.155 20 0 BGADHN CCCN(Cc1cnc2cccc(C)n12)C1CC1 ZINC000507235213 528151239 /nfs/dbraw/zinc/15/12/39/528151239.db2.gz TZZIBCDHNLSBNH-UHFFFAOYSA-N 0 3 243.354 3.017 20 0 BGADHN Cc1cc(Cl)cc(CN(C)C2CC2)c1 ZINC000507235340 226367794 /nfs/dbraw/zinc/36/77/94/226367794.db2.gz VBDWOIVRZWGCEM-UHFFFAOYSA-N 0 3 209.720 3.243 20 0 BGADHN CCCN(Cc1ccccc1OCC)C1CC1 ZINC000507241845 528148489 /nfs/dbraw/zinc/14/84/89/528148489.db2.gz BJGGVCSCQBXCPA-UHFFFAOYSA-N 0 3 233.355 3.460 20 0 BGADHN CCCCN(Cc1cnn(CCC)c1)C1CC1 ZINC000507242138 528447153 /nfs/dbraw/zinc/44/71/53/528447153.db2.gz DFZDMIPZTYIPRM-UHFFFAOYSA-N 0 3 235.375 3.058 20 0 BGADHN CCCN(Cc1c(C)nc2ccccn21)C1CC1 ZINC000507242533 528130312 /nfs/dbraw/zinc/13/03/12/528130312.db2.gz GOQGQUNTDNNNMG-UHFFFAOYSA-N 0 3 243.354 3.017 20 0 BGADHN CCCCN(Cc1c(C)nn(CC)c1C)C1CC1 ZINC000507242699 528441833 /nfs/dbraw/zinc/44/18/33/528441833.db2.gz HBVQOGSTFGVTRU-UHFFFAOYSA-N 0 3 249.402 3.284 20 0 BGADHN CCCCCN(Cc1ccnc(C)n1)C(C)C ZINC000507243330 528181765 /nfs/dbraw/zinc/18/17/65/528181765.db2.gz LOWCXIBDRDHILL-UHFFFAOYSA-N 0 3 235.375 3.186 20 0 BGADHN CCCCCN(Cc1conc1C)C(C)C ZINC000507244966 528181845 /nfs/dbraw/zinc/18/18/45/528181845.db2.gz VFGMLOCWPHVXMG-UHFFFAOYSA-N 0 3 224.348 3.384 20 0 BGADHN CCCCN(Cc1cccc(OCC)n1)C1CC1 ZINC000507245405 528441814 /nfs/dbraw/zinc/44/18/14/528441814.db2.gz ZUDFLJSTZHRDRJ-UHFFFAOYSA-N 0 3 248.370 3.245 20 0 BGADHN CCCCN(Cc1c[nH]nc1C(C)(C)C)C1CC1 ZINC000507245464 528441962 /nfs/dbraw/zinc/44/19/62/528441962.db2.gz AVGQXIWRQFZUCX-UHFFFAOYSA-N 0 3 249.402 3.472 20 0 BGADHN Cc1cc(CCN[C@H](C)c2ccc(F)cc2)on1 ZINC000507246124 226368086 /nfs/dbraw/zinc/36/80/86/226368086.db2.gz GSUFXKNBZPDEKJ-LLVKDONJSA-N 0 3 248.301 3.015 20 0 BGADHN Cc1cc(CCN[C@@H](C)c2ccc(F)cc2)on1 ZINC000507246125 226367977 /nfs/dbraw/zinc/36/79/77/226367977.db2.gz GSUFXKNBZPDEKJ-NSHDSACASA-N 0 3 248.301 3.015 20 0 BGADHN CCCCN(Cc1cnn(C(C)C)c1)C1CC1 ZINC000507246721 528447015 /nfs/dbraw/zinc/44/70/15/528447015.db2.gz KAEHBZNZIMVFMT-UHFFFAOYSA-N 0 3 235.375 3.229 20 0 BGADHN Cc1ccn2c(CN(C)[C@H](C)C(C)C)cnc2c1 ZINC000507248488 534345321 /nfs/dbraw/zinc/34/53/21/534345321.db2.gz VUTLUTLYXCYJGH-CYBMUJFWSA-N 0 3 245.370 3.119 20 0 BGADHN Cc1ccn2c(CN(C)[C@@H](C)C(C)C)cnc2c1 ZINC000507248489 534346706 /nfs/dbraw/zinc/34/67/06/534346706.db2.gz VUTLUTLYXCYJGH-ZDUSSCGKSA-N 0 3 245.370 3.119 20 0 BGADHN CCC[C@@H](C)N(C)Cc1cc(OC)ccc1F ZINC000507251090 528886519 /nfs/dbraw/zinc/88/65/19/528886519.db2.gz FWZQUOJCZQKCQG-LLVKDONJSA-N 0 3 239.334 3.455 20 0 BGADHN CCC[C@H](C)N(C)Cc1cc(OC)ccc1F ZINC000507251091 528047874 /nfs/dbraw/zinc/04/78/74/528047874.db2.gz FWZQUOJCZQKCQG-NSHDSACASA-N 0 3 239.334 3.455 20 0 BGADHN CCCCN(Cc1cnc(CC)s1)C1CC1 ZINC000507253497 528447501 /nfs/dbraw/zinc/44/75/01/528447501.db2.gz RCCLDWNQBWZYEW-UHFFFAOYSA-N 0 3 238.400 3.470 20 0 BGADHN CC[C@H](C)N(C)Cc1cc(OC)ccc1F ZINC000507253834 529691556 /nfs/dbraw/zinc/69/15/56/529691556.db2.gz SIENENSCFAYTRU-JTQLQIEISA-N 0 3 225.307 3.065 20 0 BGADHN CC[C@@H](C)N(C)Cc1cc(OC)ccc1F ZINC000507253841 529344654 /nfs/dbraw/zinc/34/46/54/529344654.db2.gz SIENENSCFAYTRU-SNVBAGLBSA-N 0 3 225.307 3.065 20 0 BGADHN CCCCN(Cc1cnc2ccccn12)C1CC1 ZINC000507253891 528446840 /nfs/dbraw/zinc/44/68/40/528446840.db2.gz SMUSMYKLNFAUMG-UHFFFAOYSA-N 0 3 243.354 3.099 20 0 BGADHN CCCN(Cc1cc(C)ccc1OC)C1CC1 ZINC000507254851 528129714 /nfs/dbraw/zinc/12/97/14/528129714.db2.gz XQVLQUARKOINPC-UHFFFAOYSA-N 0 3 233.355 3.378 20 0 BGADHN C[C@@H](NCC1(C(F)(F)F)CC1)c1cccnc1 ZINC000507271152 226368352 /nfs/dbraw/zinc/36/83/52/226368352.db2.gz FEUSYWFJNRKQGH-SECBINFHSA-N 0 3 244.260 3.075 20 0 BGADHN C[C@H](NCC1(C(F)(F)F)CC1)c1cccnc1 ZINC000507271153 226368140 /nfs/dbraw/zinc/36/81/40/226368140.db2.gz FEUSYWFJNRKQGH-VIFPVBQESA-N 0 3 244.260 3.075 20 0 BGADHN CCCN(Cc1conc1CC)CC(C)C ZINC000507313677 528150239 /nfs/dbraw/zinc/15/02/39/528150239.db2.gz YHYIFJGGFRMTCI-UHFFFAOYSA-N 0 3 224.348 3.105 20 0 BGADHN CCc1nocc1CN(CC)CC(CC)CC ZINC000507329718 226368596 /nfs/dbraw/zinc/36/85/96/226368596.db2.gz NCUCGXMPWHDYNL-UHFFFAOYSA-N 0 3 238.375 3.495 20 0 BGADHN CCC(CC)CN(CC)Cc1ccnc(C)n1 ZINC000507330402 528743172 /nfs/dbraw/zinc/74/31/72/528743172.db2.gz BBLSRGBLJQMRJS-UHFFFAOYSA-N 0 3 235.375 3.043 20 0 BGADHN CCC(CC)CN(CC)Cc1conc1C ZINC000507331578 528743098 /nfs/dbraw/zinc/74/30/98/528743098.db2.gz FXQCGHFVJDKKHG-UHFFFAOYSA-N 0 3 224.348 3.241 20 0 BGADHN COc1ccc(F)c(CN(C(C)C)C2CC2)c1 ZINC000507349818 226368754 /nfs/dbraw/zinc/36/87/54/226368754.db2.gz RABOTYBUIYIWMP-UHFFFAOYSA-N 0 3 237.318 3.207 20 0 BGADHN CCc1nocc1CN(C)[C@H](C)CC(C)C ZINC000507353327 226368630 /nfs/dbraw/zinc/36/86/30/226368630.db2.gz ACKVLKJDEUYUGH-LLVKDONJSA-N 0 3 224.348 3.103 20 0 BGADHN CCc1nocc1CN(C)[C@@H](C)CC(C)C ZINC000507353329 226368539 /nfs/dbraw/zinc/36/85/39/226368539.db2.gz ACKVLKJDEUYUGH-NSHDSACASA-N 0 3 224.348 3.103 20 0 BGADHN C[C@H](C1CC1)N(C)Cc1ccc(Cl)o1 ZINC000507441461 388384050 /nfs/dbraw/zinc/38/40/50/388384050.db2.gz NQXZQOSGDQCZPT-MRVPVSSYSA-N 0 3 213.708 3.163 20 0 BGADHN C[C@@H](C1CC1)N(C)Cc1ccc(Cl)o1 ZINC000507441462 226369010 /nfs/dbraw/zinc/36/90/10/226369010.db2.gz NQXZQOSGDQCZPT-QMMMGPOBSA-N 0 3 213.708 3.163 20 0 BGADHN CC[C@@H](C)CN(C)Cc1cc(OC)ccc1F ZINC000507488614 529314206 /nfs/dbraw/zinc/31/42/06/529314206.db2.gz BGKCOPAOGRKRCV-LLVKDONJSA-N 0 3 239.334 3.312 20 0 BGADHN CC[C@H](C)CN(C)Cc1cc(OC)ccc1F ZINC000507488617 529650862 /nfs/dbraw/zinc/65/08/62/529650862.db2.gz BGKCOPAOGRKRCV-NSHDSACASA-N 0 3 239.334 3.312 20 0 BGADHN CCc1nocc1CN(CC(C)C)C(C)C ZINC000507502838 226369359 /nfs/dbraw/zinc/36/93/59/226369359.db2.gz DKOTYXVHWSQJAA-UHFFFAOYSA-N 0 3 224.348 3.103 20 0 BGADHN COc1ccc(F)c(CN(C)CC(C)(C)C)c1 ZINC000507659393 226370684 /nfs/dbraw/zinc/37/06/84/226370684.db2.gz JYAQBDCINCDEFT-UHFFFAOYSA-N 0 3 239.334 3.312 20 0 BGADHN Cc1cc(Cl)cc(CN2CC[C@H](C)C2)c1 ZINC000507766452 226371016 /nfs/dbraw/zinc/37/10/16/226371016.db2.gz LAAMOLRFHNPECI-JTQLQIEISA-N 0 3 223.747 3.490 20 0 BGADHN Cc1cc(Cl)cc(CN2CC[C@@H](C)C2)c1 ZINC000507766453 226371062 /nfs/dbraw/zinc/37/10/62/226371062.db2.gz LAAMOLRFHNPECI-SNVBAGLBSA-N 0 3 223.747 3.490 20 0 BGADHN Cc1cc(CN2CC[C@H](C)C2)ccc1Cl ZINC000507783712 533626570 /nfs/dbraw/zinc/62/65/70/533626570.db2.gz OANIJBSSPWBARE-JTQLQIEISA-N 0 3 223.747 3.490 20 0 BGADHN Cc1cc(CN2CC[C@@H](C)C2)ccc1Cl ZINC000507783713 533623950 /nfs/dbraw/zinc/62/39/50/533623950.db2.gz OANIJBSSPWBARE-SNVBAGLBSA-N 0 3 223.747 3.490 20 0 BGADHN Fc1ccc(F)c2c1CC[C@H]2NC1CCCC1 ZINC000507837158 226371256 /nfs/dbraw/zinc/37/12/56/226371256.db2.gz LYMFEYKPRXXQRD-CYBMUJFWSA-N 0 3 237.293 3.484 20 0 BGADHN Fc1ccc(F)c2c1CC[C@@H]2NC1CCCC1 ZINC000507837159 226371266 /nfs/dbraw/zinc/37/12/66/226371266.db2.gz LYMFEYKPRXXQRD-ZDUSSCGKSA-N 0 3 237.293 3.484 20 0 BGADHN CCC(C)(C)c1ccc(CN[C@H](C)COC)cc1 ZINC000507881710 528604830 /nfs/dbraw/zinc/60/48/30/528604830.db2.gz UMCYUGAYXABPLP-CYBMUJFWSA-N 0 3 249.398 3.499 20 0 BGADHN CCC(C)(C)c1ccc(CN[C@@H](C)COC)cc1 ZINC000507881712 528605582 /nfs/dbraw/zinc/60/55/82/528605582.db2.gz UMCYUGAYXABPLP-ZDUSSCGKSA-N 0 3 249.398 3.499 20 0 BGADHN C[C@@H]1CN(CC2CCCCCC2)[C@H](C)CO1 ZINC000508028148 226371455 /nfs/dbraw/zinc/37/14/55/226371455.db2.gz SKBXDEYCLJUSNY-CHWSQXEVSA-N 0 3 225.376 3.066 20 0 BGADHN C[C@@H]1CO[C@@H](C)CN1CC1CCCCCC1 ZINC000508028155 226371637 /nfs/dbraw/zinc/37/16/37/226371637.db2.gz SKBXDEYCLJUSNY-OLZOCXBDSA-N 0 3 225.376 3.066 20 0 BGADHN C[C@@H]1CN(CC2CCCCCC2)[C@@H](C)CO1 ZINC000508028157 226371450 /nfs/dbraw/zinc/37/14/50/226371450.db2.gz SKBXDEYCLJUSNY-QWHCGFSZSA-N 0 3 225.376 3.066 20 0 BGADHN C[C@H]1CN(CC2CCCCCC2)[C@@H](C)CO1 ZINC000508028159 533919977 /nfs/dbraw/zinc/91/99/77/533919977.db2.gz SKBXDEYCLJUSNY-STQMWFEESA-N 0 3 225.376 3.066 20 0 BGADHN CC[C@H](CN1C[C@H](C)OC[C@H]1C)c1ccccc1 ZINC000508029358 529336535 /nfs/dbraw/zinc/33/65/35/529336535.db2.gz XUVGJNHDIXCNPB-QLFBSQMISA-N 0 3 247.382 3.289 20 0 BGADHN CC[C@H](CN1C[C@@H](C)OC[C@H]1C)c1ccccc1 ZINC000508029359 529336648 /nfs/dbraw/zinc/33/66/48/529336648.db2.gz XUVGJNHDIXCNPB-RBSFLKMASA-N 0 3 247.382 3.289 20 0 BGADHN CC[C@H](CN1C[C@@H](C)OC[C@@H]1C)c1ccccc1 ZINC000508029360 529336391 /nfs/dbraw/zinc/33/63/91/529336391.db2.gz XUVGJNHDIXCNPB-RRFJBIMHSA-N 0 3 247.382 3.289 20 0 BGADHN CC[C@H](CN1C[C@H](C)OC[C@@H]1C)c1ccccc1 ZINC000508029361 529336328 /nfs/dbraw/zinc/33/63/28/529336328.db2.gz XUVGJNHDIXCNPB-SOUVJXGZSA-N 0 3 247.382 3.289 20 0 BGADHN CCC(C)(C)N(C)Cc1cc(OC)ccc1F ZINC000508369386 528539105 /nfs/dbraw/zinc/53/91/05/528539105.db2.gz JYVPJKARVIOFRP-UHFFFAOYSA-N 0 3 239.334 3.455 20 0 BGADHN CCCCN(Cc1cc[nH]n1)C1CCCCC1 ZINC000508508840 528442231 /nfs/dbraw/zinc/44/22/31/528442231.db2.gz ZYMCGIPPHXWNSI-UHFFFAOYSA-N 0 3 235.375 3.345 20 0 BGADHN COc1ccc(F)c(CN2C[C@H](C)C[C@H]2C)c1 ZINC000508717289 533904904 /nfs/dbraw/zinc/90/49/04/533904904.db2.gz IQULQMACPLRKIN-GHMZBOCLSA-N 0 3 237.318 3.065 20 0 BGADHN COc1ccc(F)c(CN2C[C@H](C)C[C@@H]2C)c1 ZINC000508717290 533905877 /nfs/dbraw/zinc/90/58/77/533905877.db2.gz IQULQMACPLRKIN-MNOVXSKESA-N 0 3 237.318 3.065 20 0 BGADHN COc1ccc(F)c(CN2C[C@@H](C)C[C@@H]2C)c1 ZINC000508717691 533905267 /nfs/dbraw/zinc/90/52/67/533905267.db2.gz IQULQMACPLRKIN-QWRGUYRKSA-N 0 3 237.318 3.065 20 0 BGADHN COc1ccc(F)c(CN2C[C@@H](C)C[C@H]2C)c1 ZINC000508717692 533905980 /nfs/dbraw/zinc/90/59/80/533905980.db2.gz IQULQMACPLRKIN-WDEREUQCSA-N 0 3 237.318 3.065 20 0 BGADHN CCc1nocc1CN1CCC(C(C)C)CC1 ZINC000508759408 226373722 /nfs/dbraw/zinc/37/37/22/226373722.db2.gz ROPNXJVDTDYQHD-UHFFFAOYSA-N 0 3 236.359 3.105 20 0 BGADHN CC(C)=CCN(C)CCCOc1ccccc1 ZINC000509049862 527427965 /nfs/dbraw/zinc/42/79/65/527427965.db2.gz KNQHEBNLQDJLTM-UHFFFAOYSA-N 0 3 233.355 3.354 20 0 BGADHN CC[C@H](C)CN(C)Cc1cc(F)cc(F)c1 ZINC000509371586 529651292 /nfs/dbraw/zinc/65/12/92/529651292.db2.gz JSNGXYNXYQXBHP-JTQLQIEISA-N 0 3 227.298 3.443 20 0 BGADHN CC[C@@H](C)CN(C)Cc1cc(F)cc(F)c1 ZINC000509371588 529314718 /nfs/dbraw/zinc/31/47/18/529314718.db2.gz JSNGXYNXYQXBHP-SNVBAGLBSA-N 0 3 227.298 3.443 20 0 BGADHN FCCCCN1CCOC2(C1)CCCCCC2 ZINC000509377599 229273679 /nfs/dbraw/zinc/27/36/79/229273679.db2.gz DSFHZBPKNGLMJS-UHFFFAOYSA-N 0 3 243.366 3.161 20 0 BGADHN C[C@@H](F)CCN1CCOC2(C1)CCCCCC2 ZINC000509377961 534276211 /nfs/dbraw/zinc/27/62/11/534276211.db2.gz GUDXXBBXQRUENS-CYBMUJFWSA-N 0 3 243.366 3.160 20 0 BGADHN C[C@H](F)CCN1CCOC2(C1)CCCCCC2 ZINC000509377962 229273576 /nfs/dbraw/zinc/27/35/76/229273576.db2.gz GUDXXBBXQRUENS-ZDUSSCGKSA-N 0 3 243.366 3.160 20 0 BGADHN COc1cc2c(cc1F)CC[C@@H]2NCC=C(C)C ZINC000509409092 533162717 /nfs/dbraw/zinc/16/27/17/533162717.db2.gz DLKLCTXEMFXOCX-AWEZNQCLSA-N 0 3 249.329 3.377 20 0 BGADHN COc1cc2c(cc1F)CC[C@H]2NCC=C(C)C ZINC000509409093 229274682 /nfs/dbraw/zinc/27/46/82/229274682.db2.gz DLKLCTXEMFXOCX-CQSZACIVSA-N 0 3 249.329 3.377 20 0 BGADHN CC(C)CCN1CCc2cc(F)ccc2C1 ZINC000509416015 527726133 /nfs/dbraw/zinc/72/61/33/527726133.db2.gz LCIPCOWCZJORCP-UHFFFAOYSA-N 0 3 221.319 3.230 20 0 BGADHN CCCCCN1CCc2cc(F)ccc2C1 ZINC000509434130 528186492 /nfs/dbraw/zinc/18/64/92/528186492.db2.gz CHUVHRFLCVPLFM-UHFFFAOYSA-N 0 3 221.319 3.374 20 0 BGADHN Fc1ccc2c(c1)CCN(CC1CCCC1)C2 ZINC000509436977 534499163 /nfs/dbraw/zinc/49/91/63/534499163.db2.gz NJRMORMKONJGGC-UHFFFAOYSA-N 0 3 233.330 3.374 20 0 BGADHN Fc1ccc2c(c1)CCN([C@H]1C=CCCC1)C2 ZINC000509464431 534499565 /nfs/dbraw/zinc/49/95/65/534499565.db2.gz QJXCOTXZRMDMMQ-HNNXBMFYSA-N 0 3 231.314 3.293 20 0 BGADHN Fc1ccc2c(c1)CCN([C@@H]1C=CCCC1)C2 ZINC000509464432 534498019 /nfs/dbraw/zinc/49/80/19/534498019.db2.gz QJXCOTXZRMDMMQ-OAHLLOKOSA-N 0 3 231.314 3.293 20 0 BGADHN CC[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000509549831 529298379 /nfs/dbraw/zinc/29/83/79/529298379.db2.gz QNWXBEKFMBOBCW-GFCCVEGCSA-N 0 3 221.319 3.448 20 0 BGADHN CC[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000509549832 529217090 /nfs/dbraw/zinc/21/70/90/529217090.db2.gz QNWXBEKFMBOBCW-LBPRGKRZSA-N 0 3 221.319 3.448 20 0 BGADHN CC[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000509549833 529298577 /nfs/dbraw/zinc/29/85/77/529298577.db2.gz QODRQCIAAXUGPB-GFCCVEGCSA-N 0 3 221.319 3.448 20 0 BGADHN CC[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000509549835 529217355 /nfs/dbraw/zinc/21/73/55/529217355.db2.gz QODRQCIAAXUGPB-LBPRGKRZSA-N 0 3 221.319 3.448 20 0 BGADHN CC1(C)CN(CC2CCCCCC2)CCO1 ZINC000509559728 529116198 /nfs/dbraw/zinc/11/61/98/529116198.db2.gz MVIBNFKMNYWEPF-UHFFFAOYSA-N 0 3 225.376 3.068 20 0 BGADHN CC[C@@H](CN1CCOC(C)(C)C1)c1ccccc1 ZINC000509571534 529474253 /nfs/dbraw/zinc/47/42/53/529474253.db2.gz MBIBZDPDGXQSRH-AWEZNQCLSA-N 0 3 247.382 3.291 20 0 BGADHN CC[C@H](CN1CCOC(C)(C)C1)c1ccccc1 ZINC000509571537 529335887 /nfs/dbraw/zinc/33/58/87/529335887.db2.gz MBIBZDPDGXQSRH-CQSZACIVSA-N 0 3 247.382 3.291 20 0 BGADHN CCN(CCO)Cc1ccc(C(C)(C)CC)cc1 ZINC000509672615 528554250 /nfs/dbraw/zinc/55/42/50/528554250.db2.gz KTKVNSQKQMZEGL-UHFFFAOYSA-N 0 3 249.398 3.188 20 0 BGADHN CC[C@H](CN1CCOC[C@H]1CC)c1ccccc1 ZINC000509813416 529336128 /nfs/dbraw/zinc/33/61/28/529336128.db2.gz GCPXIHSNLCKVFK-GDBMZVCRSA-N 0 3 247.382 3.291 20 0 BGADHN CC[C@@H](CN1CCOC[C@H]1CC)c1ccccc1 ZINC000509813418 529474244 /nfs/dbraw/zinc/47/42/44/529474244.db2.gz GCPXIHSNLCKVFK-GOEBONIOSA-N 0 3 247.382 3.291 20 0 BGADHN CC[C@@H](CN1CCOC[C@@H]1CC)c1ccccc1 ZINC000509813419 529474128 /nfs/dbraw/zinc/47/41/28/529474128.db2.gz GCPXIHSNLCKVFK-HOCLYGCPSA-N 0 3 247.382 3.291 20 0 BGADHN CC[C@H](CN1CCOC[C@@H]1CC)c1ccccc1 ZINC000509813421 529335912 /nfs/dbraw/zinc/33/59/12/529335912.db2.gz GCPXIHSNLCKVFK-ZBFHGGJFSA-N 0 3 247.382 3.291 20 0 BGADHN CC[C@H]1COCCN1CC1CCCCCC1 ZINC000509826231 529308342 /nfs/dbraw/zinc/30/83/42/529308342.db2.gz HHCOPIBTKFRDCL-AWEZNQCLSA-N 0 3 225.376 3.068 20 0 BGADHN CC[C@@H]1COCCN1CC1CCCCCC1 ZINC000509826232 529411466 /nfs/dbraw/zinc/41/14/66/529411466.db2.gz HHCOPIBTKFRDCL-CQSZACIVSA-N 0 3 225.376 3.068 20 0 BGADHN CC[C@H]1COCCN1Cc1c(C)cc(C)cc1C ZINC000509828151 529308246 /nfs/dbraw/zinc/30/82/46/529308246.db2.gz PDTWWMIMOCJMBA-HNNXBMFYSA-N 0 3 247.382 3.223 20 0 BGADHN CC[C@@H]1COCCN1Cc1c(C)cc(C)cc1C ZINC000509828152 385775842 /nfs/dbraw/zinc/77/58/42/385775842.db2.gz PDTWWMIMOCJMBA-OAHLLOKOSA-N 0 3 247.382 3.223 20 0 BGADHN CC(C)c1ccc(CN(C)[C@H]2CCCOC2)cc1 ZINC000510094703 528092262 /nfs/dbraw/zinc/09/22/62/528092262.db2.gz YGGUUNQMOUIQKB-INIZCTEOSA-N 0 3 247.382 3.421 20 0 BGADHN CC(C)c1ccc(CN(C)[C@@H]2CCCOC2)cc1 ZINC000510094704 528093455 /nfs/dbraw/zinc/09/34/55/528093455.db2.gz YGGUUNQMOUIQKB-MRXNPFEDSA-N 0 3 247.382 3.421 20 0 BGADHN CO[C@H]1C[C@@H](N(C)Cc2cc3ccccc3o2)C1 ZINC000510157868 533290885 /nfs/dbraw/zinc/29/08/85/533290885.db2.gz BOBGNFFTYBTFAP-BETUJISGSA-N 0 3 245.322 3.042 20 0 BGADHN COc1cccc(C2(N[C@H]3C=CCCC3)CC2)c1 ZINC000510195729 229294115 /nfs/dbraw/zinc/29/41/15/229294115.db2.gz UXSKHTAHLYVJNS-AWEZNQCLSA-N 0 3 243.350 3.383 20 0 BGADHN COc1cccc(C2(N[C@@H]3C=CCCC3)CC2)c1 ZINC000510195748 229295037 /nfs/dbraw/zinc/29/50/37/229295037.db2.gz UXSKHTAHLYVJNS-CQSZACIVSA-N 0 3 243.350 3.383 20 0 BGADHN CCCN(Cc1ccn(C)n1)CC1CCCCC1 ZINC000510207696 528149693 /nfs/dbraw/zinc/14/96/93/528149693.db2.gz LXDPGSOBKPGUJF-UHFFFAOYSA-N 0 3 249.402 3.212 20 0 BGADHN CCC(C)(C)N(C)Cc1cc(F)ccc1OC ZINC000510252533 528537305 /nfs/dbraw/zinc/53/73/05/528537305.db2.gz XMLPSZDNVOUNNH-UHFFFAOYSA-N 0 3 239.334 3.455 20 0 BGADHN CC(C)(C)c1ccc(CN2CCCOCC2)cc1 ZINC000510537862 526775441 /nfs/dbraw/zinc/77/54/41/526775441.db2.gz KBSRHDVZVOKUEI-UHFFFAOYSA-N 0 3 247.382 3.206 20 0 BGADHN CCc1ccc(CN2CCC(CC)CC2)o1 ZINC000510673470 529639405 /nfs/dbraw/zinc/63/94/05/529639405.db2.gz BZMWSNJKKDJXAK-UHFFFAOYSA-N 0 3 221.344 3.464 20 0 BGADHN CN(Cc1cc(F)cc(F)c1)CC(C)(C)C ZINC000510675285 529979843 /nfs/dbraw/zinc/97/98/43/529979843.db2.gz PBGHFQRQAWJACE-UHFFFAOYSA-N 0 3 227.298 3.443 20 0 BGADHN CCC1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000510681135 527869103 /nfs/dbraw/zinc/86/91/03/527869103.db2.gz LMHQIXPLNMAHEM-UHFFFAOYSA-N 0 3 245.366 3.244 20 0 BGADHN CCC1CCN(Cc2ccccc2OC)CC1 ZINC000510694062 527869332 /nfs/dbraw/zinc/86/93/32/527869332.db2.gz VPLXQAJVCWWCIO-UHFFFAOYSA-N 0 3 233.355 3.317 20 0 BGADHN CC(C)C1CC(N[C@@H](C)c2ccncc2F)C1 ZINC000511033532 527627257 /nfs/dbraw/zinc/62/72/57/527627257.db2.gz QIPINOXWIBOFDB-UNXYVOJBSA-N 0 3 236.334 3.306 20 0 BGADHN CC(C)C1CC(N[C@H](C)c2ccncc2F)C1 ZINC000511033550 527629499 /nfs/dbraw/zinc/62/94/99/527629499.db2.gz QIPINOXWIBOFDB-VOMCLLRMSA-N 0 3 236.334 3.306 20 0 BGADHN CC1(C)COCCN1CC1CCCCCC1 ZINC000511470802 529131474 /nfs/dbraw/zinc/13/14/74/529131474.db2.gz GLIUOVQZRLJBTQ-UHFFFAOYSA-N 0 3 225.376 3.068 20 0 BGADHN CC[C@@H](CN1CCOCC1(C)C)c1ccccc1 ZINC000511494236 529474269 /nfs/dbraw/zinc/47/42/69/529474269.db2.gz JQRDRLDVQHZIRR-AWEZNQCLSA-N 0 3 247.382 3.291 20 0 BGADHN CC[C@H](CN1CCOCC1(C)C)c1ccccc1 ZINC000511494237 529335690 /nfs/dbraw/zinc/33/56/90/529335690.db2.gz JQRDRLDVQHZIRR-CQSZACIVSA-N 0 3 247.382 3.291 20 0 BGADHN Clc1ccc([C@H]2CCN2CC2CC2)cc1 ZINC000511606998 229322530 /nfs/dbraw/zinc/32/25/30/229322530.db2.gz YZXZDLINLVKXSS-CYBMUJFWSA-N 0 3 221.731 3.497 20 0 BGADHN Clc1ccc([C@@H]2CCN2CC2CC2)cc1 ZINC000511607005 229322573 /nfs/dbraw/zinc/32/25/73/229322573.db2.gz YZXZDLINLVKXSS-ZDUSSCGKSA-N 0 3 221.731 3.497 20 0 BGADHN CC[C@H]1CN(Cc2cccc(C)c2C)C[C@H](C)O1 ZINC000511837936 529297880 /nfs/dbraw/zinc/29/78/80/529297880.db2.gz KFSURVVRUXCOJS-BBRMVZONSA-N 0 3 247.382 3.303 20 0 BGADHN CC[C@H]1CN(Cc2cccc(C)c2C)C[C@@H](C)O1 ZINC000511837937 529296657 /nfs/dbraw/zinc/29/66/57/529296657.db2.gz KFSURVVRUXCOJS-CJNGLKHVSA-N 0 3 247.382 3.303 20 0 BGADHN CC[C@@H]1CN(Cc2cccc(C)c2C)C[C@@H](C)O1 ZINC000511837938 529397792 /nfs/dbraw/zinc/39/77/92/529397792.db2.gz KFSURVVRUXCOJS-CZUORRHYSA-N 0 3 247.382 3.303 20 0 BGADHN CC[C@@H]1CN(Cc2cccc(C)c2C)C[C@H](C)O1 ZINC000511837939 529397636 /nfs/dbraw/zinc/39/76/36/529397636.db2.gz KFSURVVRUXCOJS-XJKSGUPXSA-N 0 3 247.382 3.303 20 0 BGADHN CC[C@@H]1CN(Cc2ccc(C)cc2C)C[C@@H](C)O1 ZINC000511847424 529396855 /nfs/dbraw/zinc/39/68/55/529396855.db2.gz YIDGPBYHBBLKJS-GDBMZVCRSA-N 0 3 247.382 3.303 20 0 BGADHN CC[C@@H]1CN(Cc2ccc(C)cc2C)C[C@H](C)O1 ZINC000511847425 529396684 /nfs/dbraw/zinc/39/66/84/529396684.db2.gz YIDGPBYHBBLKJS-GOEBONIOSA-N 0 3 247.382 3.303 20 0 BGADHN CC[C@H]1CN(Cc2ccc(C)cc2C)C[C@H](C)O1 ZINC000511847426 529296792 /nfs/dbraw/zinc/29/67/92/529296792.db2.gz YIDGPBYHBBLKJS-HOCLYGCPSA-N 0 3 247.382 3.303 20 0 BGADHN CC[C@H]1CN(Cc2ccc(C)cc2C)C[C@@H](C)O1 ZINC000511847427 529296556 /nfs/dbraw/zinc/29/65/56/529296556.db2.gz YIDGPBYHBBLKJS-ZBFHGGJFSA-N 0 3 247.382 3.303 20 0 BGADHN CC(C)(CF)NC/C=C\c1ccc(F)c(F)c1 ZINC000511892547 527067652 /nfs/dbraw/zinc/06/76/52/527067652.db2.gz AAYBFKKFXWCYSV-ARJAWSKDSA-N 0 3 243.272 3.316 20 0 BGADHN CC(C)(CF)NC/C=C/c1ccc(F)c(F)c1 ZINC000511892548 527067769 /nfs/dbraw/zinc/06/77/69/527067769.db2.gz AAYBFKKFXWCYSV-ONEGZZNKSA-N 0 3 243.272 3.316 20 0 BGADHN Cc1cc(C)cc(CN2C[C@H](C)OC(C)(C)C2)c1 ZINC000511938710 229329677 /nfs/dbraw/zinc/32/96/77/229329677.db2.gz NMZAVQYRXFUHTK-AWEZNQCLSA-N 0 3 247.382 3.303 20 0 BGADHN Cc1cccc(CN2C[C@@H](C)OC(C)(C)C2)c1C ZINC000511958599 229329660 /nfs/dbraw/zinc/32/96/60/229329660.db2.gz UVATUDRKNJLZFV-CYBMUJFWSA-N 0 3 247.382 3.303 20 0 BGADHN Cc1cccc(CN2C[C@H](C)OC(C)(C)C2)c1C ZINC000511958600 229329150 /nfs/dbraw/zinc/32/91/50/229329150.db2.gz UVATUDRKNJLZFV-ZDUSSCGKSA-N 0 3 247.382 3.303 20 0 BGADHN Cc1ccc(C)c(CN2C[C@H](C)OC(C)(C)C2)c1 ZINC000511978648 533667609 /nfs/dbraw/zinc/66/76/09/533667609.db2.gz OEJSVRRRIGXTQT-AWEZNQCLSA-N 0 3 247.382 3.303 20 0 BGADHN Cc1ccc(CN2C[C@H](C)OC(C)(C)C2)c(C)c1 ZINC000511979601 533964826 /nfs/dbraw/zinc/96/48/26/533964826.db2.gz XHXJIJNURLOLAR-AWEZNQCLSA-N 0 3 247.382 3.303 20 0 BGADHN Cc1ccc(CN2C[C@@H](C)OC(C)(C)C2)c(C)c1 ZINC000511979602 533961997 /nfs/dbraw/zinc/96/19/97/533961997.db2.gz XHXJIJNURLOLAR-CQSZACIVSA-N 0 3 247.382 3.303 20 0 BGADHN CC[C@@H](C)CN1CCOc2ccc(C)cc2C1 ZINC000512162039 529319885 /nfs/dbraw/zinc/31/98/85/529319885.db2.gz ABQGRRDTZCMHSB-GFCCVEGCSA-N 0 3 233.355 3.236 20 0 BGADHN CC[C@H](C)CN1CCOc2ccc(C)cc2C1 ZINC000512162040 529658738 /nfs/dbraw/zinc/65/87/38/529658738.db2.gz ABQGRRDTZCMHSB-LBPRGKRZSA-N 0 3 233.355 3.236 20 0 BGADHN Cc1ccc2c(c1)CN(CCC(C)C)CCO2 ZINC000512210966 534424041 /nfs/dbraw/zinc/42/40/41/534424041.db2.gz HKCPXDCMWWCHML-UHFFFAOYSA-N 0 3 233.355 3.236 20 0 BGADHN CCCCCN1CCOc2ccc(C)cc2C1 ZINC000512243507 528185470 /nfs/dbraw/zinc/18/54/70/528185470.db2.gz KTFXPABSHWZMQP-UHFFFAOYSA-N 0 3 233.355 3.380 20 0 BGADHN Cc1ccc2c(c1)CN([C@H]1C=CCCC1)CCO2 ZINC000512249871 534425057 /nfs/dbraw/zinc/42/50/57/534425057.db2.gz ARABHSXLDUWECP-HNNXBMFYSA-N 0 3 243.350 3.298 20 0 BGADHN Cc1ccc2c(c1)CN([C@@H]1C=CCCC1)CCO2 ZINC000512249875 534425227 /nfs/dbraw/zinc/42/52/27/534425227.db2.gz ARABHSXLDUWECP-OAHLLOKOSA-N 0 3 243.350 3.298 20 0 BGADHN CCOCCN(CC)C/C(C)=C/c1ccccc1 ZINC000512250993 528723102 /nfs/dbraw/zinc/72/31/02/528723102.db2.gz FPUMIFHSDZKPNF-FYWRMAATSA-N 0 3 247.382 3.448 20 0 BGADHN CCOCCN(CC)C/C(C)=C\c1ccccc1 ZINC000512250995 528724471 /nfs/dbraw/zinc/72/44/71/528724471.db2.gz FPUMIFHSDZKPNF-SQFISAMPSA-N 0 3 247.382 3.448 20 0 BGADHN CCC[C@@H](C)N1CCOc2ccc(C)cc2C1 ZINC000512256561 528891546 /nfs/dbraw/zinc/89/15/46/528891546.db2.gz CDCJZRMDUCQUJP-CYBMUJFWSA-N 0 3 233.355 3.378 20 0 BGADHN CCC[C@H](C)N1CCOc2ccc(C)cc2C1 ZINC000512256562 528050547 /nfs/dbraw/zinc/05/05/47/528050547.db2.gz CDCJZRMDUCQUJP-ZDUSSCGKSA-N 0 3 233.355 3.378 20 0 BGADHN CCN(CCC(F)(F)F)CC(C)(C)C ZINC000512638257 528405722 /nfs/dbraw/zinc/40/57/22/528405722.db2.gz HOADDCPMNJIUFB-UHFFFAOYSA-N 0 3 211.271 3.307 20 0 BGADHN CCc1ccc(CN(C)CC2CCCC2)o1 ZINC000512682766 529635429 /nfs/dbraw/zinc/63/54/29/529635429.db2.gz IATFGJJVBYPNKN-UHFFFAOYSA-N 0 3 221.344 3.464 20 0 BGADHN CCc1nocc1CN1CCC[C@@H](C(C)C)C1 ZINC000512991519 229381931 /nfs/dbraw/zinc/38/19/31/229381931.db2.gz GCPLEPAOYMRLOK-GFCCVEGCSA-N 0 3 236.359 3.105 20 0 BGADHN CCc1nocc1CN1CCC[C@H](C(C)C)C1 ZINC000512991520 229382231 /nfs/dbraw/zinc/38/22/31/229382231.db2.gz GCPLEPAOYMRLOK-LBPRGKRZSA-N 0 3 236.359 3.105 20 0 BGADHN CN(CCC1CCCCC1)Cc1cccn1C ZINC000513037255 529877597 /nfs/dbraw/zinc/87/75/97/529877597.db2.gz QSXMSQJDQLWWJC-UHFFFAOYSA-N 0 3 234.387 3.427 20 0 BGADHN C[C@@H]1CC[C@@H]1NCc1ccccc1OCC1CC1 ZINC000513100374 534201948 /nfs/dbraw/zinc/20/19/48/534201948.db2.gz JXQAINMTSKKEAU-DOMZBBRYSA-N 0 3 245.366 3.364 20 0 BGADHN C[C@@H]1CC[C@H]1NCc1ccccc1OCC1CC1 ZINC000513100376 534263855 /nfs/dbraw/zinc/26/38/55/534263855.db2.gz JXQAINMTSKKEAU-IUODEOHRSA-N 0 3 245.366 3.364 20 0 BGADHN C[C@H]1CC[C@H]1NCc1ccccc1OCC1CC1 ZINC000513100378 229388347 /nfs/dbraw/zinc/38/83/47/229388347.db2.gz JXQAINMTSKKEAU-SWLSCSKDSA-N 0 3 245.366 3.364 20 0 BGADHN C[C@H]1CC[C@@H]1NCc1ccccc1OCC1CC1 ZINC000513100379 533726337 /nfs/dbraw/zinc/72/63/37/533726337.db2.gz JXQAINMTSKKEAU-WFASDCNBSA-N 0 3 245.366 3.364 20 0 BGADHN CO[C@H](C)CN(C)Cc1ccc(C(C)(C)C)cc1 ZINC000513231137 533080023 /nfs/dbraw/zinc/08/00/23/533080023.db2.gz HALQNSKGYMZUMM-CYBMUJFWSA-N 0 3 249.398 3.451 20 0 BGADHN CO[C@@H](C)CN(C)Cc1ccc(C(C)(C)C)cc1 ZINC000513231139 533331110 /nfs/dbraw/zinc/33/11/10/533331110.db2.gz HALQNSKGYMZUMM-ZDUSSCGKSA-N 0 3 249.398 3.451 20 0 BGADHN COCc1ccccc1/C=C(/C)CN1CC(C)C1 ZINC000513360526 388424323 /nfs/dbraw/zinc/42/43/23/388424323.db2.gz BUDWSZMGLNJFEN-JYRVWZFOSA-N 0 3 245.366 3.188 20 0 BGADHN COCc1ccccc1/C=C(\C)CN1CC(C)C1 ZINC000513360528 388424735 /nfs/dbraw/zinc/42/47/35/388424735.db2.gz BUDWSZMGLNJFEN-MDWZMJQESA-N 0 3 245.366 3.188 20 0 BGADHN C[C@@H]1C[C@@H]1CN[C@@H]1CCc2c1c(F)ccc2F ZINC000513546211 533729087 /nfs/dbraw/zinc/72/90/87/533729087.db2.gz WLSTXGYMNPXGNL-JRKPZEMJSA-N 0 3 237.293 3.198 20 0 BGADHN C[C@@H]1C[C@@H]1CN[C@H]1CCc2c1c(F)ccc2F ZINC000513546212 388431585 /nfs/dbraw/zinc/43/15/85/388431585.db2.gz WLSTXGYMNPXGNL-KKFJDGPESA-N 0 3 237.293 3.198 20 0 BGADHN C[C@@H]1C[C@H]1CN[C@@H]1CCc2c1c(F)ccc2F ZINC000513546213 388431866 /nfs/dbraw/zinc/43/18/66/388431866.db2.gz WLSTXGYMNPXGNL-VYUIOLGVSA-N 0 3 237.293 3.198 20 0 BGADHN C[C@@H]1C[C@H]1CN[C@H]1CCc2c1c(F)ccc2F ZINC000513546214 229418145 /nfs/dbraw/zinc/41/81/45/229418145.db2.gz WLSTXGYMNPXGNL-ZDMBXUJBSA-N 0 3 237.293 3.198 20 0 BGADHN C[C@@H]1C[C@@H]1CN[C@H](c1ncc[nH]1)C1CCCCC1 ZINC000513697478 388441072 /nfs/dbraw/zinc/44/10/72/388441072.db2.gz NXRMMWSUYIENFU-BNOWGMLFSA-N 0 3 247.386 3.277 20 0 BGADHN C[C@@H]1C[C@H]1CN[C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000513697479 388441287 /nfs/dbraw/zinc/44/12/87/388441287.db2.gz NXRMMWSUYIENFU-KWCYVHTRSA-N 0 3 247.386 3.277 20 0 BGADHN C[C@@H]1C[C@@H]1CN[C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000513697480 388441343 /nfs/dbraw/zinc/44/13/43/388441343.db2.gz NXRMMWSUYIENFU-MRVWCRGKSA-N 0 3 247.386 3.277 20 0 BGADHN C[C@@H]1C[C@H]1CN[C@H](c1ncc[nH]1)C1CCCCC1 ZINC000513697481 388440989 /nfs/dbraw/zinc/44/09/89/388440989.db2.gz NXRMMWSUYIENFU-XBFCOCLRSA-N 0 3 247.386 3.277 20 0 BGADHN CCOc1ncccc1CN[C@H]1CC[C@H]1C(C)C ZINC000513762656 487746281 /nfs/dbraw/zinc/74/62/81/487746281.db2.gz RVLBLUPGHLTJNY-KBPBESRZSA-N 0 3 248.370 3.005 20 0 BGADHN CCOc1ncccc1CN[C@H]1CC[C@@H]1C(C)C ZINC000513762657 487746449 /nfs/dbraw/zinc/74/64/49/487746449.db2.gz RVLBLUPGHLTJNY-KGLIPLIRSA-N 0 3 248.370 3.005 20 0 BGADHN CCOc1ncccc1CN[C@@H]1CC[C@H]1C(C)C ZINC000513762658 487746327 /nfs/dbraw/zinc/74/63/27/487746327.db2.gz RVLBLUPGHLTJNY-UONOGXRCSA-N 0 3 248.370 3.005 20 0 BGADHN CCOc1ncccc1CN[C@@H]1CC[C@@H]1C(C)C ZINC000513762659 487746503 /nfs/dbraw/zinc/74/65/03/487746503.db2.gz RVLBLUPGHLTJNY-ZIAGYGMSSA-N 0 3 248.370 3.005 20 0 BGADHN CC(C)c1ccc(CN2CCOC[C@@H](C)C2)cc1 ZINC000513972788 388479798 /nfs/dbraw/zinc/47/97/98/388479798.db2.gz JSDBZVFORRXOMA-AWEZNQCLSA-N 0 3 247.382 3.278 20 0 BGADHN CC(C)c1ccc(CN2CCOC[C@H](C)C2)cc1 ZINC000513972789 388479915 /nfs/dbraw/zinc/47/99/15/388479915.db2.gz JSDBZVFORRXOMA-CQSZACIVSA-N 0 3 247.382 3.278 20 0 BGADHN CCCc1ccc(CN2CCOC[C@@H](C)C2)cc1 ZINC000513976727 388480878 /nfs/dbraw/zinc/48/08/78/388480878.db2.gz CGOCZOBIIXVKHN-AWEZNQCLSA-N 0 3 247.382 3.107 20 0 BGADHN CCCc1ccc(CN2CCOC[C@H](C)C2)cc1 ZINC000513976728 388480564 /nfs/dbraw/zinc/48/05/64/388480564.db2.gz CGOCZOBIIXVKHN-CQSZACIVSA-N 0 3 247.382 3.107 20 0 BGADHN CC(C)c1ccc(SCCN(C)C)cc1 ZINC000514494260 259369093 /nfs/dbraw/zinc/36/90/93/259369093.db2.gz AXBVUGCBENAVJK-UHFFFAOYSA-N 0 3 223.385 3.464 20 0 BGADHN c1ccc2c(CNC(C3CC3)C3CC3)noc2c1 ZINC000514613817 387012369 /nfs/dbraw/zinc/01/23/69/387012369.db2.gz CEVICMCQUUKOMO-UHFFFAOYSA-N 0 3 242.322 3.106 20 0 BGADHN CC1(C)CC[C@@H](NCc2noc3ccccc32)C1 ZINC000514615002 387011425 /nfs/dbraw/zinc/01/14/25/387011425.db2.gz RAKSAJQIMSSFSV-LLVKDONJSA-N 0 3 244.338 3.496 20 0 BGADHN CC1(C)CC[C@H](NCc2noc3ccccc32)C1 ZINC000514615003 387011667 /nfs/dbraw/zinc/01/16/67/387011667.db2.gz RAKSAJQIMSSFSV-NSHDSACASA-N 0 3 244.338 3.496 20 0 BGADHN C[C@@H](NCC(C)(C)OCC1CC1)c1ccoc1 ZINC000514660766 387051057 /nfs/dbraw/zinc/05/10/57/387051057.db2.gz XUCYSVMRRKWFKX-LLVKDONJSA-N 0 3 237.343 3.135 20 0 BGADHN C[C@H](NCC(C)(C)OCC1CC1)c1ccoc1 ZINC000514660767 387050476 /nfs/dbraw/zinc/05/04/76/387050476.db2.gz XUCYSVMRRKWFKX-NSHDSACASA-N 0 3 237.343 3.135 20 0 BGADHN CC(=O)c1cccc(CN(C)[C@H](C)C2CC2)c1 ZINC000514776771 387288707 /nfs/dbraw/zinc/28/87/07/387288707.db2.gz INAYOYDTDRCEMW-LLVKDONJSA-N 0 3 231.339 3.120 20 0 BGADHN CC(=O)c1cccc(CN(C)[C@@H](C)C2CC2)c1 ZINC000514776772 387288606 /nfs/dbraw/zinc/28/86/06/387288606.db2.gz INAYOYDTDRCEMW-NSHDSACASA-N 0 3 231.339 3.120 20 0 BGADHN Fc1cccc(CNCCC2(F)CCC2)c1F ZINC000514814657 387289539 /nfs/dbraw/zinc/28/95/39/387289539.db2.gz UKDHYJIEQLQFOJ-UHFFFAOYSA-N 0 3 243.272 3.337 20 0 BGADHN Cc1c(CN(C)CCC2=CCCCC2)cnn1C ZINC000514911789 387305330 /nfs/dbraw/zinc/30/53/30/387305330.db2.gz NJXXCQMMOAAIQP-UHFFFAOYSA-N 0 3 247.386 3.051 20 0 BGADHN CCC(C)(C)CNCc1cc(OC)ccc1F ZINC000514953271 387314075 /nfs/dbraw/zinc/31/40/75/387314075.db2.gz QESSHSRLVFQNCG-UHFFFAOYSA-N 0 3 239.334 3.360 20 0 BGADHN CCC1(CC)CCC(NCc2cnccn2)CC1 ZINC000514999691 387322543 /nfs/dbraw/zinc/32/25/43/387322543.db2.gz JSNUZAVMCJIBDM-UHFFFAOYSA-N 0 3 247.386 3.315 20 0 BGADHN CCC[C@@H](NCc1ccc(CO)o1)C(C)(C)C ZINC000515125900 387338781 /nfs/dbraw/zinc/33/87/81/387338781.db2.gz IMZVQYTWKBODPD-CYBMUJFWSA-N 0 3 239.359 3.076 20 0 BGADHN CCC[C@H](NCc1ccc(CO)o1)C(C)(C)C ZINC000515125901 387337879 /nfs/dbraw/zinc/33/78/79/387337879.db2.gz IMZVQYTWKBODPD-ZDUSSCGKSA-N 0 3 239.359 3.076 20 0 BGADHN CC[C@H](C)CN[C@@H]1c2ccc(F)cc2O[C@H]1C ZINC000515249646 387349366 /nfs/dbraw/zinc/34/93/66/387349366.db2.gz NESLATMQQPYSPX-BHDSKKPTSA-N 0 3 237.318 3.283 20 0 BGADHN CC[C@H](C)CN[C@H]1c2ccc(F)cc2O[C@@H]1C ZINC000515249647 387350231 /nfs/dbraw/zinc/35/02/31/387350231.db2.gz NESLATMQQPYSPX-IMSIIYSGSA-N 0 3 237.318 3.283 20 0 BGADHN CC[C@H](C)CN[C@H]1c2ccc(F)cc2O[C@H]1C ZINC000515249648 387353231 /nfs/dbraw/zinc/35/32/31/387353231.db2.gz NESLATMQQPYSPX-PKFCDNJMSA-N 0 3 237.318 3.283 20 0 BGADHN CC[C@H](C)CN[C@@H]1c2ccc(F)cc2O[C@@H]1C ZINC000515249649 387352973 /nfs/dbraw/zinc/35/29/73/387352973.db2.gz NESLATMQQPYSPX-RBZYPMLTSA-N 0 3 237.318 3.283 20 0 BGADHN CC(C)C1CCC(N(C)Cc2ccno2)CC1 ZINC000515279412 387356959 /nfs/dbraw/zinc/35/69/59/387356959.db2.gz GZMORGKWUHJNCM-UHFFFAOYSA-N 0 3 236.359 3.321 20 0 BGADHN FCC1(N[C@@H]2CCc3ccccc32)CCC1 ZINC000515301142 387361058 /nfs/dbraw/zinc/36/10/58/387361058.db2.gz XJDQIYRYVQHQFM-CYBMUJFWSA-N 0 3 219.303 3.156 20 0 BGADHN FCC1(N[C@H]2CCc3ccccc32)CCC1 ZINC000515301143 387360327 /nfs/dbraw/zinc/36/03/27/387360327.db2.gz XJDQIYRYVQHQFM-ZDUSSCGKSA-N 0 3 219.303 3.156 20 0 BGADHN CCc1cccc(CN2CC(CC(F)F)C2)c1 ZINC000515305214 256740824 /nfs/dbraw/zinc/74/08/24/256740824.db2.gz OVFCGNLVABWLCJ-UHFFFAOYSA-N 0 3 239.309 3.336 20 0 BGADHN CCCN(Cc1cnc(C)s1)C(C)C ZINC000515310112 387358223 /nfs/dbraw/zinc/35/82/23/387358223.db2.gz NHZWAGFSOKDKAR-UHFFFAOYSA-N 0 3 212.362 3.072 20 0 BGADHN CC[C@@H]1CCC[C@@H](NCc2nc(C)c(C)[nH]2)C1 ZINC000515312941 387358555 /nfs/dbraw/zinc/35/85/55/387358555.db2.gz VOUTZARDCQWDSM-CHWSQXEVSA-N 0 3 235.375 3.085 20 0 BGADHN CC[C@@H]1CCC[C@H](NCc2nc(C)c(C)[nH]2)C1 ZINC000515312942 387358580 /nfs/dbraw/zinc/35/85/80/387358580.db2.gz VOUTZARDCQWDSM-OLZOCXBDSA-N 0 3 235.375 3.085 20 0 BGADHN CC[C@H]1CCC[C@@H](NCc2nc(C)c(C)[nH]2)C1 ZINC000515312943 387359328 /nfs/dbraw/zinc/35/93/28/387359328.db2.gz VOUTZARDCQWDSM-QWHCGFSZSA-N 0 3 235.375 3.085 20 0 BGADHN CC[C@H]1CCC[C@H](NCc2nc(C)c(C)[nH]2)C1 ZINC000515312944 387358769 /nfs/dbraw/zinc/35/87/69/387358769.db2.gz VOUTZARDCQWDSM-STQMWFEESA-N 0 3 235.375 3.085 20 0 BGADHN C[C@H](CNC1(CF)CCC1)c1ccccc1 ZINC000515352304 387371612 /nfs/dbraw/zinc/37/16/12/387371612.db2.gz VODSQMFHOHTFMT-GFCCVEGCSA-N 0 3 221.319 3.272 20 0 BGADHN C[C@@H](CNC1(CF)CCC1)c1ccccc1 ZINC000515352305 387371104 /nfs/dbraw/zinc/37/11/04/387371104.db2.gz VODSQMFHOHTFMT-LBPRGKRZSA-N 0 3 221.319 3.272 20 0 BGADHN C[C@@H](NCc1noc2ccccc21)C1CCCC1 ZINC000515432873 387379512 /nfs/dbraw/zinc/37/95/12/387379512.db2.gz LEIGRGWXAPSBDX-LLVKDONJSA-N 0 3 244.338 3.496 20 0 BGADHN C[C@H](NCc1noc2ccccc21)C1CCCC1 ZINC000515432876 387378511 /nfs/dbraw/zinc/37/85/11/387378511.db2.gz LEIGRGWXAPSBDX-NSHDSACASA-N 0 3 244.338 3.496 20 0 BGADHN C[C@@H]1CN(CCOc2cccc(Cl)c2)[C@@H]1C ZINC000515437459 256745483 /nfs/dbraw/zinc/74/54/83/256745483.db2.gz CANIPHBNSYLACN-GHMZBOCLSA-N 0 3 239.746 3.059 20 0 BGADHN C[C@@H]1CN(CCOc2cccc(Cl)c2)[C@H]1C ZINC000515437460 487635279 /nfs/dbraw/zinc/63/52/79/487635279.db2.gz CANIPHBNSYLACN-MNOVXSKESA-N 0 3 239.746 3.059 20 0 BGADHN C[C@H]1CN(CCOc2cccc(Cl)c2)[C@H]1C ZINC000515437461 487635867 /nfs/dbraw/zinc/63/58/67/487635867.db2.gz CANIPHBNSYLACN-QWRGUYRKSA-N 0 3 239.746 3.059 20 0 BGADHN C[C@@H]1[C@@H](C)CN1CCOc1cccc(Cl)c1 ZINC000515437462 487635528 /nfs/dbraw/zinc/63/55/28/487635528.db2.gz CANIPHBNSYLACN-WDEREUQCSA-N 0 3 239.746 3.059 20 0 BGADHN CCC(CC)N(Cc1cncc(OC)c1)C1CC1 ZINC000515475914 387383623 /nfs/dbraw/zinc/38/36/23/387383623.db2.gz HGMUNZOVDQYTQE-UHFFFAOYSA-N 0 3 248.370 3.243 20 0 BGADHN CC(C)c1nc(CNC(C)(C)C)c2ccccn21 ZINC000515491296 387389412 /nfs/dbraw/zinc/38/94/12/387389412.db2.gz ZWRYKCXLLMKKDI-UHFFFAOYSA-N 0 3 245.370 3.346 20 0 BGADHN Cc1cc(CN2CC[C@H](C)[C@@H]3CCCC[C@@H]32)on1 ZINC000515548346 387395613 /nfs/dbraw/zinc/39/56/13/387395613.db2.gz SFEMBPXYEYDFTN-CQDKDKBSSA-N 0 3 248.370 3.384 20 0 BGADHN Cc1cc(CN2CC[C@H](C)[C@H]3CCCC[C@H]32)on1 ZINC000515548347 387395103 /nfs/dbraw/zinc/39/51/03/387395103.db2.gz SFEMBPXYEYDFTN-NILFDRSVSA-N 0 3 248.370 3.384 20 0 BGADHN Cc1cc(CN2CC[C@H](C)[C@@H]3CCCC[C@H]32)on1 ZINC000515548348 387395661 /nfs/dbraw/zinc/39/56/61/387395661.db2.gz SFEMBPXYEYDFTN-TUKIKUTGSA-N 0 3 248.370 3.384 20 0 BGADHN CCc1ccc(CN2CC[C@@H](SC)C2)s1 ZINC000515594107 387402709 /nfs/dbraw/zinc/40/27/09/387402709.db2.gz PZLPJHOUDITRSR-LLVKDONJSA-N 0 3 241.425 3.248 20 0 BGADHN CCc1ccc(CN2CC[C@H](SC)C2)s1 ZINC000515594108 387402611 /nfs/dbraw/zinc/40/26/11/387402611.db2.gz PZLPJHOUDITRSR-NSHDSACASA-N 0 3 241.425 3.248 20 0 BGADHN Cc1cccnc1CCCN[C@H](C)c1ccoc1 ZINC000515599274 387402745 /nfs/dbraw/zinc/40/27/45/387402745.db2.gz RJMLLNFOGIANRG-CYBMUJFWSA-N 0 3 244.338 3.266 20 0 BGADHN Cc1cccnc1CCCN[C@@H](C)c1ccoc1 ZINC000515599275 387402203 /nfs/dbraw/zinc/40/22/03/387402203.db2.gz RJMLLNFOGIANRG-ZDUSSCGKSA-N 0 3 244.338 3.266 20 0 BGADHN CCCc1nc(C)c(CN(C)[C@H](C)C2CC2)o1 ZINC000515743244 387419848 /nfs/dbraw/zinc/41/98/48/387419848.db2.gz KSBPMZGBZJGUOJ-LLVKDONJSA-N 0 3 236.359 3.166 20 0 BGADHN CCCc1nc(C)c(CN(C)[C@@H](C)C2CC2)o1 ZINC000515743245 387419931 /nfs/dbraw/zinc/41/99/31/387419931.db2.gz KSBPMZGBZJGUOJ-NSHDSACASA-N 0 3 236.359 3.166 20 0 BGADHN CCCCOCCN(Cc1ccccc1)C1CC1 ZINC000515780253 387421295 /nfs/dbraw/zinc/42/12/95/387421295.db2.gz NADHSWDERRPWLE-UHFFFAOYSA-N 0 3 247.382 3.468 20 0 BGADHN CCCCOCCN(C)Cc1cccc(C)c1 ZINC000515780258 387421087 /nfs/dbraw/zinc/42/10/87/387421087.db2.gz NTBGSXMAEBRANE-UHFFFAOYSA-N 0 3 235.371 3.244 20 0 BGADHN Cc1cccc(CN(C)CCOCCC(C)C)c1 ZINC000515780503 387422817 /nfs/dbraw/zinc/42/28/17/387422817.db2.gz JOJLIOIIEZYZHD-UHFFFAOYSA-N 0 3 249.398 3.490 20 0 BGADHN Cc1cnccc1CN1CC(C2CCCCC2)C1 ZINC000515792199 387426748 /nfs/dbraw/zinc/42/67/48/387426748.db2.gz SFXNJNRWGLEKFX-UHFFFAOYSA-N 0 3 244.382 3.402 20 0 BGADHN Cc1ccc(C)c(CNC2(CF)CCC2)c1 ZINC000515844141 387433672 /nfs/dbraw/zinc/43/36/72/387433672.db2.gz QAQFFAYUCLMPKL-UHFFFAOYSA-N 0 3 221.319 3.285 20 0 BGADHN C[C@@H](NC1CC(C)(C)C1)c1cn2ccccc2n1 ZINC000516091634 256764805 /nfs/dbraw/zinc/76/48/05/256764805.db2.gz PAYONAXFUDFFAT-LLVKDONJSA-N 0 3 243.354 3.174 20 0 BGADHN C[C@H](NC1CC(C)(C)C1)c1cn2ccccc2n1 ZINC000516091635 387458298 /nfs/dbraw/zinc/45/82/98/387458298.db2.gz PAYONAXFUDFFAT-NSHDSACASA-N 0 3 243.354 3.174 20 0 BGADHN F[C@@H]1CCCN(Cc2cccc3[nH]ccc32)C1 ZINC000516187325 387471329 /nfs/dbraw/zinc/47/13/29/387471329.db2.gz AGHKZGOKOOEPKF-GFCCVEGCSA-N 0 3 232.302 3.102 20 0 BGADHN F[C@H]1CCCN(Cc2cccc3[nH]ccc32)C1 ZINC000516187326 387471162 /nfs/dbraw/zinc/47/11/62/387471162.db2.gz AGHKZGOKOOEPKF-LBPRGKRZSA-N 0 3 232.302 3.102 20 0 BGADHN CCC[C@H](C)N1CCN(C)C2(CCCCC2)C1 ZINC000516192196 387472656 /nfs/dbraw/zinc/47/26/56/387472656.db2.gz VLSCORJEJXWZBH-AWEZNQCLSA-N 0 3 238.419 3.125 20 0 BGADHN CCC[C@@H](C)N1CCN(C)C2(CCCCC2)C1 ZINC000516192197 387473103 /nfs/dbraw/zinc/47/31/03/387473103.db2.gz VLSCORJEJXWZBH-CQSZACIVSA-N 0 3 238.419 3.125 20 0 BGADHN COc1ccc(F)c(CNC(C)(C)C2CC2)c1 ZINC000516427056 387508086 /nfs/dbraw/zinc/50/80/86/387508086.db2.gz TYKODMUBESDUKD-UHFFFAOYSA-N 0 3 237.318 3.113 20 0 BGADHN CC(C)CC[C@@H]1CC[C@@H](NCc2ccno2)C1 ZINC000516468436 387513514 /nfs/dbraw/zinc/51/35/14/387513514.db2.gz VOZIDYHQFDHHSZ-CHWSQXEVSA-N 0 3 236.359 3.369 20 0 BGADHN CC(C)CC[C@@H]1CC[C@H](NCc2ccno2)C1 ZINC000516468438 387514598 /nfs/dbraw/zinc/51/45/98/387514598.db2.gz VOZIDYHQFDHHSZ-OLZOCXBDSA-N 0 3 236.359 3.369 20 0 BGADHN CC(C)CC[C@H]1CC[C@@H](NCc2ccno2)C1 ZINC000516468439 256778379 /nfs/dbraw/zinc/77/83/79/256778379.db2.gz VOZIDYHQFDHHSZ-QWHCGFSZSA-N 0 3 236.359 3.369 20 0 BGADHN CC(C)CC[C@H]1CC[C@H](NCc2ccno2)C1 ZINC000516468441 256778387 /nfs/dbraw/zinc/77/83/87/256778387.db2.gz VOZIDYHQFDHHSZ-STQMWFEESA-N 0 3 236.359 3.369 20 0 BGADHN CCC1(CNCc2ccc3c(n2)CCC3)CCC1 ZINC000516547833 387519957 /nfs/dbraw/zinc/51/99/57/387519957.db2.gz ADFOWMBPZPSPLR-UHFFFAOYSA-N 0 3 244.382 3.240 20 0 BGADHN Cc1nc(CN[C@@H]2CCC[C@H]2C(C)(C)C)[nH]c1C ZINC000516585506 388359064 /nfs/dbraw/zinc/35/90/64/388359064.db2.gz TWONKTYBHXVOEL-CHWSQXEVSA-N 0 3 249.402 3.331 20 0 BGADHN Cc1nc(CN[C@H]2CCC[C@H]2C(C)(C)C)[nH]c1C ZINC000516585507 388359122 /nfs/dbraw/zinc/35/91/22/388359122.db2.gz TWONKTYBHXVOEL-OLZOCXBDSA-N 0 3 249.402 3.331 20 0 BGADHN Cc1nc(CN[C@@H]2CCC[C@@H]2C(C)(C)C)[nH]c1C ZINC000516585508 388359378 /nfs/dbraw/zinc/35/93/78/388359378.db2.gz TWONKTYBHXVOEL-QWHCGFSZSA-N 0 3 249.402 3.331 20 0 BGADHN Cc1nc(CN[C@H]2CCC[C@@H]2C(C)(C)C)[nH]c1C ZINC000516585509 388359153 /nfs/dbraw/zinc/35/91/53/388359153.db2.gz TWONKTYBHXVOEL-STQMWFEESA-N 0 3 249.402 3.331 20 0 BGADHN Cc1nsc(C)c1CN(C)CC(C)(C)C ZINC000516781400 388517178 /nfs/dbraw/zinc/51/71/78/388517178.db2.gz JKEDOJGYFXWQSM-UHFFFAOYSA-N 0 3 226.389 3.238 20 0 BGADHN Cc1cc([C@@H](C)NCCOC(C)(C)C)oc1C ZINC000516786844 256802375 /nfs/dbraw/zinc/80/23/75/256802375.db2.gz DIYHTBYCJUVHHJ-LLVKDONJSA-N 0 3 239.359 3.362 20 0 BGADHN Cc1cc([C@H](C)NCCOC(C)(C)C)oc1C ZINC000516786849 388518129 /nfs/dbraw/zinc/51/81/29/388518129.db2.gz DIYHTBYCJUVHHJ-NSHDSACASA-N 0 3 239.359 3.362 20 0 BGADHN Cc1nn(C(C)C)cc1CNC1CC(C)(C)C1 ZINC000516878716 566280066 /nfs/dbraw/zinc/28/00/66/566280066.db2.gz UKFJGWWDBNHDJU-UHFFFAOYSA-N 0 3 235.375 3.051 20 0 BGADHN CCCN(Cc1nc(C)c(C)s1)C(C)C ZINC000516979428 388529870 /nfs/dbraw/zinc/52/98/70/388529870.db2.gz NGEOPQXZIURWOP-UHFFFAOYSA-N 0 3 226.389 3.380 20 0 BGADHN CCCOc1ccc(CN2CC[C@@H]2CC)cc1 ZINC000517006534 388531175 /nfs/dbraw/zinc/53/11/75/388531175.db2.gz DBZGZXUAJVZDIH-AWEZNQCLSA-N 0 3 233.355 3.460 20 0 BGADHN CCCOc1ccc(CN2CC[C@H]2CC)cc1 ZINC000517006535 388530598 /nfs/dbraw/zinc/53/05/98/388530598.db2.gz DBZGZXUAJVZDIH-CQSZACIVSA-N 0 3 233.355 3.460 20 0 BGADHN CN(Cc1ccno1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000517020181 388531949 /nfs/dbraw/zinc/53/19/49/388531949.db2.gz ZCDSWZCWIJDYIY-CHWSQXEVSA-N 0 3 236.359 3.321 20 0 BGADHN CN(Cc1ccno1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000517020182 388531826 /nfs/dbraw/zinc/53/18/26/388531826.db2.gz ZCDSWZCWIJDYIY-OLZOCXBDSA-N 0 3 236.359 3.321 20 0 BGADHN CN(Cc1ccno1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000517020183 388531929 /nfs/dbraw/zinc/53/19/29/388531929.db2.gz ZCDSWZCWIJDYIY-QWHCGFSZSA-N 0 3 236.359 3.321 20 0 BGADHN CN(Cc1ccno1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000517020184 388532200 /nfs/dbraw/zinc/53/22/00/388532200.db2.gz ZCDSWZCWIJDYIY-STQMWFEESA-N 0 3 236.359 3.321 20 0 BGADHN C[C@@H]1CCN(Cc2ccno2)[C@H]2CCCC[C@H]12 ZINC000517050040 388536190 /nfs/dbraw/zinc/53/61/90/388536190.db2.gz WAZCGHOKVQAJIP-BNOWGMLFSA-N 0 3 234.343 3.075 20 0 BGADHN C[C@@H]1CCN(Cc2ccno2)[C@@H]2CCCC[C@@H]12 ZINC000517050041 388536253 /nfs/dbraw/zinc/53/62/53/388536253.db2.gz WAZCGHOKVQAJIP-KWCYVHTRSA-N 0 3 234.343 3.075 20 0 BGADHN C[C@@H]1CCN(Cc2ccno2)[C@@H]2CCCC[C@H]12 ZINC000517050042 388536439 /nfs/dbraw/zinc/53/64/39/388536439.db2.gz WAZCGHOKVQAJIP-MRVWCRGKSA-N 0 3 234.343 3.075 20 0 BGADHN C[C@@H]1CCN(Cc2ccno2)[C@H]2CCCC[C@@H]12 ZINC000517050043 388536114 /nfs/dbraw/zinc/53/61/14/388536114.db2.gz WAZCGHOKVQAJIP-XBFCOCLRSA-N 0 3 234.343 3.075 20 0 BGADHN CC1(C)CN(Cc2cccc(F)c2)[C@H]1C1CC1 ZINC000517061973 388536100 /nfs/dbraw/zinc/53/61/00/388536100.db2.gz JDQKPOJNGWGSMU-AWEZNQCLSA-N 0 3 233.330 3.446 20 0 BGADHN CC1(C)CN(Cc2cccc(F)c2)[C@@H]1C1CC1 ZINC000517061974 388535818 /nfs/dbraw/zinc/53/58/18/388535818.db2.gz JDQKPOJNGWGSMU-CQSZACIVSA-N 0 3 233.330 3.446 20 0 BGADHN Cc1nc(COc2cc(C)nc(C)c2C)cs1 ZINC000517063174 388536233 /nfs/dbraw/zinc/53/62/33/388536233.db2.gz DKUSAOUXWIDXRZ-UHFFFAOYSA-N 0 3 248.351 3.351 20 0 BGADHN Cc1nnsc1CN(C)C1CCCCCC1 ZINC000517069045 388537486 /nfs/dbraw/zinc/53/74/86/388537486.db2.gz SUNKBUDHAITZAM-UHFFFAOYSA-N 0 3 239.388 3.001 20 0 BGADHN C[C@@H]1C[C@H](N[C@H]2CC(C)(C)Cc3occc32)CO1 ZINC000517235861 388545013 /nfs/dbraw/zinc/54/50/13/388545013.db2.gz YLZOXUSJIYFLGD-MDZLAQPJSA-N 0 3 249.354 3.060 20 0 BGADHN C[C@@H]1C[C@@H](N[C@@H]2CC(C)(C)Cc3occc32)CO1 ZINC000517235862 388544700 /nfs/dbraw/zinc/54/47/00/388544700.db2.gz YLZOXUSJIYFLGD-NQBHXWOUSA-N 0 3 249.354 3.060 20 0 BGADHN C[C@@H]1C[C@H](N[C@@H]2CC(C)(C)Cc3occc32)CO1 ZINC000517235863 388544374 /nfs/dbraw/zinc/54/43/74/388544374.db2.gz YLZOXUSJIYFLGD-NTZNESFSSA-N 0 3 249.354 3.060 20 0 BGADHN C[C@@H]1C[C@@H](N[C@H]2CC(C)(C)Cc3occc32)CO1 ZINC000517235864 388544607 /nfs/dbraw/zinc/54/46/07/388544607.db2.gz YLZOXUSJIYFLGD-WZRBSPASSA-N 0 3 249.354 3.060 20 0 BGADHN C[C@H](NCc1noc2ccccc21)[C@H]1CC1(C)C ZINC000517245882 388546022 /nfs/dbraw/zinc/54/60/22/388546022.db2.gz FDEIFFQZPJTTNC-CMPLNLGQSA-N 0 3 244.338 3.352 20 0 BGADHN C[C@H](NCc1noc2ccccc21)[C@@H]1CC1(C)C ZINC000517245883 256822243 /nfs/dbraw/zinc/82/22/43/256822243.db2.gz FDEIFFQZPJTTNC-JQWIXIFHSA-N 0 3 244.338 3.352 20 0 BGADHN C[C@@H](NCc1noc2ccccc21)[C@@H]1CC1(C)C ZINC000517245884 388546219 /nfs/dbraw/zinc/54/62/19/388546219.db2.gz FDEIFFQZPJTTNC-PWSUYJOCSA-N 0 3 244.338 3.352 20 0 BGADHN C[C@@H](NCc1noc2ccccc21)[C@H]1CC1(C)C ZINC000517245885 388545584 /nfs/dbraw/zinc/54/55/84/388545584.db2.gz FDEIFFQZPJTTNC-ZYHUDNBSSA-N 0 3 244.338 3.352 20 0 BGADHN CCCC1CCC(NCc2nc(C)c(C)[nH]2)CC1 ZINC000517247767 388545907 /nfs/dbraw/zinc/54/59/07/388545907.db2.gz TWXIFSCAPIBQGG-UHFFFAOYSA-N 0 3 249.402 3.475 20 0 BGADHN C[C@@H]1C[C@H]1CN1CCc2cccc(F)c2[C@@H]1C ZINC000517271532 388545440 /nfs/dbraw/zinc/54/54/40/388545440.db2.gz ZQZCWXBLIXWUIF-MDZLAQPJSA-N 0 3 233.330 3.401 20 0 BGADHN C[C@@H]1C[C@@H]1CN1CCc2cccc(F)c2[C@H]1C ZINC000517271533 388546033 /nfs/dbraw/zinc/54/60/33/388546033.db2.gz ZQZCWXBLIXWUIF-NQBHXWOUSA-N 0 3 233.330 3.401 20 0 BGADHN C[C@@H]1C[C@@H]1CN1CCc2cccc(F)c2[C@@H]1C ZINC000517271534 388545952 /nfs/dbraw/zinc/54/59/52/388545952.db2.gz ZQZCWXBLIXWUIF-NTZNESFSSA-N 0 3 233.330 3.401 20 0 BGADHN C[C@@H]1C[C@H]1CN1CCc2cccc(F)c2[C@H]1C ZINC000517271535 388546090 /nfs/dbraw/zinc/54/60/90/388546090.db2.gz ZQZCWXBLIXWUIF-WZRBSPASSA-N 0 3 233.330 3.401 20 0 BGADHN Cc1nsc(C)c1CN(C(C)C)C1CC1 ZINC000517274081 388547246 /nfs/dbraw/zinc/54/72/46/388547246.db2.gz PEHXBZQGXUGFRY-UHFFFAOYSA-N 0 3 224.373 3.133 20 0 BGADHN Cc1ccccc1[C@H](CO)NCC1=CCCCC1 ZINC000517287680 388546517 /nfs/dbraw/zinc/54/65/17/388546517.db2.gz SDTLNZPOSOANBX-INIZCTEOSA-N 0 3 245.366 3.118 20 0 BGADHN Cc1ccccc1[C@@H](CO)NCC1=CCCCC1 ZINC000517287681 388546704 /nfs/dbraw/zinc/54/67/04/388546704.db2.gz SDTLNZPOSOANBX-MRXNPFEDSA-N 0 3 245.366 3.118 20 0 BGADHN C[C@H](CCC1CC1)NCc1noc2ccccc21 ZINC000517390069 388548817 /nfs/dbraw/zinc/54/88/17/388548817.db2.gz BPBFREZKFJHTFB-LLVKDONJSA-N 0 3 244.338 3.496 20 0 BGADHN C[C@@H](CCC1CC1)NCc1noc2ccccc21 ZINC000517390070 388548766 /nfs/dbraw/zinc/54/87/66/388548766.db2.gz BPBFREZKFJHTFB-NSHDSACASA-N 0 3 244.338 3.496 20 0 BGADHN CN(Cc1cc(F)ccc1F)C(C)(C)C ZINC000517560798 388553454 /nfs/dbraw/zinc/55/34/54/388553454.db2.gz ZEZKFYBMYQUYNW-UHFFFAOYSA-N 0 3 213.271 3.195 20 0 BGADHN CCCCN(C/C=C/c1ccccc1)CCOC ZINC000517599448 388556070 /nfs/dbraw/zinc/55/60/70/388556070.db2.gz ASVZTWYFTVPBHR-DHZHZOJOSA-N 0 3 247.382 3.448 20 0 BGADHN CCCCN(C/C=C\c1ccccc1)CCOC ZINC000517599449 388555671 /nfs/dbraw/zinc/55/56/71/388555671.db2.gz ASVZTWYFTVPBHR-FLIBITNWSA-N 0 3 247.382 3.448 20 0 BGADHN Cc1ccc(CC(C)(C)NCc2ccno2)cc1 ZINC000517902414 384563019 /nfs/dbraw/zinc/56/30/19/384563019.db2.gz FETQQLQGVPKYJE-UHFFFAOYSA-N 0 3 244.338 3.094 20 0 BGADHN Clc1ccsc1CN[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000517965673 384597258 /nfs/dbraw/zinc/59/72/58/384597258.db2.gz OTQLAFRRDXWADZ-AKZRSSKFSA-N 0 3 227.760 3.290 20 0 BGADHN CCc1noc(C)c1CNC1CC(C(C)C)C1 ZINC000517972129 384599950 /nfs/dbraw/zinc/59/99/50/384599950.db2.gz FEKOAKJVJFIRGV-UHFFFAOYSA-N 0 3 236.359 3.070 20 0 BGADHN Cc1occc1CNCC(C)(C)C(F)(F)F ZINC000518128480 384714147 /nfs/dbraw/zinc/71/41/47/384714147.db2.gz MDJFPEBCFUVBGT-UHFFFAOYSA-N 0 3 235.249 3.266 20 0 BGADHN Cc1ccc2c(c1)[C@H](N[C@@H]1CCC[C@@H]1F)CC2 ZINC000518144541 384737668 /nfs/dbraw/zinc/73/76/68/384737668.db2.gz MNZCWGFRBROINH-RRFJBIMHSA-N 0 3 233.330 3.463 20 0 BGADHN Cc1ccc2c(c1)[C@@H](N[C@@H]1CCC[C@@H]1F)CC2 ZINC000518144542 256559778 /nfs/dbraw/zinc/55/97/78/256559778.db2.gz MNZCWGFRBROINH-SOUVJXGZSA-N 0 3 233.330 3.463 20 0 BGADHN Cc1nc(CNCC2(C)CCC(C)CC2)[nH]c1C ZINC000518218366 384814859 /nfs/dbraw/zinc/81/48/59/384814859.db2.gz IAESMJGUOYCPLD-UHFFFAOYSA-N 0 3 249.402 3.333 20 0 BGADHN Fc1cccc(Cl)c1CN[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000518218526 384816017 /nfs/dbraw/zinc/81/60/17/384816017.db2.gz NEOWCELRQSOVIV-YFKFIEJBSA-N 0 3 239.721 3.367 20 0 BGADHN N[C@H]1CCCc2cn(CCCC3CCCC3)nc21 ZINC000518361720 384980543 /nfs/dbraw/zinc/98/05/43/384980543.db2.gz DVHGAJWNCYEWFA-AWEZNQCLSA-N 0 3 247.386 3.190 20 0 BGADHN N[C@@H]1CCCc2cn(CCCC3CCCC3)nc21 ZINC000518361722 384980040 /nfs/dbraw/zinc/98/00/40/384980040.db2.gz DVHGAJWNCYEWFA-CQSZACIVSA-N 0 3 247.386 3.190 20 0 BGADHN Fc1ccc(Cl)cc1CN[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000518398721 385051786 /nfs/dbraw/zinc/05/17/86/385051786.db2.gz ZFYVOAKEOOHOQZ-PTEHBNRSSA-N 0 3 239.721 3.367 20 0 BGADHN C[C@@H](N(C)Cc1ccc2c(n1)CCC2)C(C)(C)C ZINC000518482213 256576418 /nfs/dbraw/zinc/57/64/18/256576418.db2.gz IHNIKKSORYVQHG-GFCCVEGCSA-N 0 3 246.398 3.437 20 0 BGADHN C[C@H](N(C)Cc1ccc2c(n1)CCC2)C(C)(C)C ZINC000518482214 383931382 /nfs/dbraw/zinc/93/13/82/383931382.db2.gz IHNIKKSORYVQHG-LBPRGKRZSA-N 0 3 246.398 3.437 20 0 BGADHN C/C(=C\c1ccccc1)CNCCOCC1CC1 ZINC000518796427 385912723 /nfs/dbraw/zinc/91/27/23/385912723.db2.gz GTIBSPCMUOAYEA-SDNWHVSQSA-N 0 3 245.366 3.106 20 0 BGADHN CC[C@H]1CC[C@H](N[C@@H](C)c2cc(C)n(C)n2)CC1 ZINC000518802832 386736176 /nfs/dbraw/zinc/73/61/76/386736176.db2.gz VJRDKZBSQKAITH-IHRRRGAJSA-N 0 3 249.402 3.348 20 0 BGADHN CC[C@H]1CC[C@H](N[C@H](C)c2cc(C)n(C)n2)CC1 ZINC000518802833 386736142 /nfs/dbraw/zinc/73/61/42/386736142.db2.gz VJRDKZBSQKAITH-MGPQQGTHSA-N 0 3 249.402 3.348 20 0 BGADHN Cc1cc(C)cc(CNCCOCC2CCC2)c1 ZINC000518853728 386837582 /nfs/dbraw/zinc/83/75/82/386837582.db2.gz SILCUCMATLDOQV-UHFFFAOYSA-N 0 3 247.382 3.210 20 0 BGADHN CCc1ccccc1COc1ccccc1CN ZINC000518963796 386956428 /nfs/dbraw/zinc/95/64/28/386956428.db2.gz QXVVXUDGZWWFGL-UHFFFAOYSA-N 0 3 241.334 3.287 20 0 BGADHN CC(C)=CCC[C@@H](C)NCc1nc(C)c(C)[nH]1 ZINC000519001402 386981005 /nfs/dbraw/zinc/98/10/05/386981005.db2.gz ZJNCELNYZFOLMN-LLVKDONJSA-N 0 3 235.375 3.251 20 0 BGADHN CC(C)=CCC[C@H](C)NCc1nc(C)c(C)[nH]1 ZINC000519001403 386980983 /nfs/dbraw/zinc/98/09/83/386980983.db2.gz ZJNCELNYZFOLMN-NSHDSACASA-N 0 3 235.375 3.251 20 0 BGADHN FCC1(NCc2cccc3cccnc32)CCC1 ZINC000519154228 387021889 /nfs/dbraw/zinc/02/18/89/387021889.db2.gz AYAVWOFXTZBRIB-UHFFFAOYSA-N 0 3 244.313 3.217 20 0 BGADHN FCC1(NC/C=C/c2ccc(F)cc2)CCC1 ZINC000519154306 387023682 /nfs/dbraw/zinc/02/36/82/387023682.db2.gz FDANWHSXEZGKDA-HNQUOIGGSA-N 0 3 237.293 3.321 20 0 BGADHN FCC1(NC/C=C\c2ccc(F)cc2)CCC1 ZINC000519154307 387023896 /nfs/dbraw/zinc/02/38/96/387023896.db2.gz FDANWHSXEZGKDA-IWQZZHSRSA-N 0 3 237.293 3.321 20 0 BGADHN CCCN(C)Cc1nc(C(C)C)n2ccccc12 ZINC000519164181 387025865 /nfs/dbraw/zinc/02/58/65/387025865.db2.gz FOBGIDKTAGXFDE-UHFFFAOYSA-N 0 3 245.370 3.300 20 0 BGADHN CCc1cccc(CNCc2cncc(C)c2)c1 ZINC000519164365 387025740 /nfs/dbraw/zinc/02/57/40/387025740.db2.gz JKPYJSFBBVXOEK-UHFFFAOYSA-N 0 3 240.350 3.242 20 0 BGADHN Cc1nc(CN[C@@H](C)CC2CCCCC2)[nH]c1C ZINC000519183676 387030056 /nfs/dbraw/zinc/03/00/56/387030056.db2.gz UIZZTUZTMYBWKP-NSHDSACASA-N 0 3 249.402 3.475 20 0 BGADHN CC1(C)CN(Cc2cccs2)[C@@H]1C1CC1 ZINC000519244089 256646161 /nfs/dbraw/zinc/64/61/61/256646161.db2.gz VWJPDTBZSMGRPJ-GFCCVEGCSA-N 0 3 221.369 3.369 20 0 BGADHN CC1(C)CN(Cc2cccs2)[C@H]1C1CC1 ZINC000519244090 387040175 /nfs/dbraw/zinc/04/01/75/387040175.db2.gz VWJPDTBZSMGRPJ-LBPRGKRZSA-N 0 3 221.369 3.369 20 0 BGADHN Cc1cccnc1CNC1CC(C(C)(C)C)C1 ZINC000519367453 398303386 /nfs/dbraw/zinc/30/33/86/398303386.db2.gz FZLXECXIYKVTLS-UHFFFAOYSA-N 0 3 232.371 3.304 20 0 BGADHN C[C@@H]1C[C@@H](C)N1CCCc1ccsc1 ZINC000519503137 386470930 /nfs/dbraw/zinc/47/09/30/386470930.db2.gz LQQVNVCDFYWJCR-GHMZBOCLSA-N 0 3 209.358 3.163 20 0 BGADHN C[C@@H]1C[C@H](C)N1CCCc1ccsc1 ZINC000519503138 386470870 /nfs/dbraw/zinc/47/08/70/386470870.db2.gz LQQVNVCDFYWJCR-PHIMTYICSA-N 0 3 209.358 3.163 20 0 BGADHN C[C@H]1C[C@H](C)N1CCCc1ccsc1 ZINC000519503139 256649733 /nfs/dbraw/zinc/64/97/33/256649733.db2.gz LQQVNVCDFYWJCR-QWRGUYRKSA-N 0 3 209.358 3.163 20 0 BGADHN Cc1nsc(C)c1CN1CCC2(CCC2)C1 ZINC000519539626 386485565 /nfs/dbraw/zinc/48/55/65/386485565.db2.gz BBTOHBIKQSOCAC-UHFFFAOYSA-N 0 3 236.384 3.136 20 0 BGADHN CN(Cc1cncnc1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000519591659 323203700 /nfs/dbraw/zinc/20/37/00/323203700.db2.gz DQNBCHPPINTZHQ-KBPBESRZSA-N 0 3 247.386 3.123 20 0 BGADHN CN(Cc1cncnc1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000519591662 323203640 /nfs/dbraw/zinc/20/36/40/323203640.db2.gz DQNBCHPPINTZHQ-KGLIPLIRSA-N 0 3 247.386 3.123 20 0 BGADHN CN(Cc1cncnc1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000519591663 323203721 /nfs/dbraw/zinc/20/37/21/323203721.db2.gz DQNBCHPPINTZHQ-UONOGXRCSA-N 0 3 247.386 3.123 20 0 BGADHN CN(Cc1cncnc1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000519591664 323203696 /nfs/dbraw/zinc/20/36/96/323203696.db2.gz DQNBCHPPINTZHQ-ZIAGYGMSSA-N 0 3 247.386 3.123 20 0 BGADHN CCCc1csc(CNC2CC(C)(C)C2)n1 ZINC000519701083 386536326 /nfs/dbraw/zinc/53/63/26/386536326.db2.gz CLMLORXOLNPSCC-UHFFFAOYSA-N 0 3 238.400 3.374 20 0 BGADHN CCc1ccc(CN2CC[C@@H](OC(C)C)C2)cc1 ZINC000519705458 386540141 /nfs/dbraw/zinc/54/01/41/386540141.db2.gz BYGKGBSTHAOGGE-MRXNPFEDSA-N 0 3 247.382 3.248 20 0 BGADHN CCC1(C)CCC(NCc2ccno2)CC1 ZINC000519716889 386533707 /nfs/dbraw/zinc/53/37/07/386533707.db2.gz YOLHOEJGFJZEOI-UHFFFAOYSA-N 0 3 222.332 3.123 20 0 BGADHN CCCN(Cc1c(C)onc1CC)C(C)C ZINC000519831149 386565641 /nfs/dbraw/zinc/56/56/41/386565641.db2.gz CEXCIQFTMXACTJ-UHFFFAOYSA-N 0 3 224.348 3.166 20 0 BGADHN CCN(Cc1ccc(C)cc1)C[C@@H]1CCCCO1 ZINC000519917771 583546939 /nfs/dbraw/zinc/54/69/39/583546939.db2.gz IRGHJAMMRNNLAG-INIZCTEOSA-N 0 3 247.382 3.386 20 0 BGADHN CCN(Cc1ccc(C)cc1)C[C@H]1CCCCO1 ZINC000519917772 583546729 /nfs/dbraw/zinc/54/67/29/583546729.db2.gz IRGHJAMMRNNLAG-MRXNPFEDSA-N 0 3 247.382 3.386 20 0 BGADHN CCN(CCOC(C)C)Cc1ccc(C)cc1 ZINC000519918645 491123512 /nfs/dbraw/zinc/12/35/12/491123512.db2.gz HUBOXDFISYEIDA-UHFFFAOYSA-N 0 3 235.371 3.242 20 0 BGADHN CCc1ccc(CN(C)CCOC(C)(C)C)cc1 ZINC000520172929 386588479 /nfs/dbraw/zinc/58/84/79/386588479.db2.gz UMWTZTTZUIRLSX-UHFFFAOYSA-N 0 3 249.398 3.496 20 0 BGADHN COCCN(CC=C(C)C)CCc1ccccc1 ZINC000520183318 323216433 /nfs/dbraw/zinc/21/64/33/323216433.db2.gz SDSPCXZJWASBCJ-UHFFFAOYSA-N 0 3 247.382 3.144 20 0 BGADHN Cc1ccccc1OCCCN1C[C@H](C)[C@@H]1C ZINC000520259992 386631240 /nfs/dbraw/zinc/63/12/40/386631240.db2.gz YCHKLLSXGCGSHQ-KBPBESRZSA-N 0 3 233.355 3.104 20 0 BGADHN Cc1ccccc1OCCCN1C[C@@H](C)[C@@H]1C ZINC000520259993 386632503 /nfs/dbraw/zinc/63/25/03/386632503.db2.gz YCHKLLSXGCGSHQ-KGLIPLIRSA-N 0 3 233.355 3.104 20 0 BGADHN Cc1ccccc1OCCCN1C[C@H](C)[C@H]1C ZINC000520259994 386632132 /nfs/dbraw/zinc/63/21/32/386632132.db2.gz YCHKLLSXGCGSHQ-UONOGXRCSA-N 0 3 233.355 3.104 20 0 BGADHN Cc1ccccc1OCCCN1C[C@@H](C)[C@H]1C ZINC000520259995 386632367 /nfs/dbraw/zinc/63/23/67/386632367.db2.gz YCHKLLSXGCGSHQ-ZIAGYGMSSA-N 0 3 233.355 3.104 20 0 BGADHN CC(C)N(Cc1cccs1)CC1(F)CC1 ZINC000520303088 386647576 /nfs/dbraw/zinc/64/75/76/386647576.db2.gz HTHJCNJQPXDQOC-UHFFFAOYSA-N 0 3 227.348 3.461 20 0 BGADHN CCCCN(C)c1ccnc2ccccc21 ZINC000520307616 386643868 /nfs/dbraw/zinc/64/38/68/386643868.db2.gz TXMRIKUNCVOBMM-UHFFFAOYSA-N 0 3 214.312 3.471 20 0 BGADHN C=Cn1cc(CN(C(CC)CC)C2CC2)cn1 ZINC000520332932 386650293 /nfs/dbraw/zinc/65/02/93/386650293.db2.gz NYRFZKJYFXYWOI-UHFFFAOYSA-N 0 3 233.359 3.137 20 0 BGADHN COc1cc([C@H](C)N[C@H]2CC23CCCC3)ccn1 ZINC000520428409 386672870 /nfs/dbraw/zinc/67/28/70/386672870.db2.gz UEYFTPIMAPVDKR-AAEUAGOBSA-N 0 3 246.354 3.074 20 0 BGADHN COc1cc([C@@H](C)N[C@@H]2CC23CCCC3)ccn1 ZINC000520428410 386671555 /nfs/dbraw/zinc/67/15/55/386671555.db2.gz UEYFTPIMAPVDKR-DGCLKSJQSA-N 0 3 246.354 3.074 20 0 BGADHN COc1cc([C@H](C)N[C@@H]2CC23CCCC3)ccn1 ZINC000520428411 386671136 /nfs/dbraw/zinc/67/11/36/386671136.db2.gz UEYFTPIMAPVDKR-WCQYABFASA-N 0 3 246.354 3.074 20 0 BGADHN COc1cc([C@@H](C)N[C@H]2CC23CCCC3)ccn1 ZINC000520428412 386672430 /nfs/dbraw/zinc/67/24/30/386672430.db2.gz UEYFTPIMAPVDKR-YPMHNXCESA-N 0 3 246.354 3.074 20 0 BGADHN CCCN(Cc1cnn(CC(C)C)c1)C(C)C ZINC000520428856 386672739 /nfs/dbraw/zinc/67/27/39/386672739.db2.gz COPYOWIWEVVWFG-UHFFFAOYSA-N 0 3 237.391 3.160 20 0 BGADHN CCC(CC)N(Cc1cc(C)no1)C1CC1 ZINC000520599834 386704745 /nfs/dbraw/zinc/70/47/45/386704745.db2.gz MXFCHGVLZRNHIJ-UHFFFAOYSA-N 0 3 222.332 3.136 20 0 BGADHN FCC1(NCc2ccc3[nH]ccc3c2)CCC1 ZINC000520610099 386707425 /nfs/dbraw/zinc/70/74/25/386707425.db2.gz QWFSUUXWCGLWAP-UHFFFAOYSA-N 0 3 232.302 3.150 20 0 BGADHN CC1(C)CCC[C@@H](CN2CCOCC23CC3)C1 ZINC000520617198 386708657 /nfs/dbraw/zinc/70/86/57/386708657.db2.gz FBYBMKNGDRZZCK-CYBMUJFWSA-N 0 3 237.387 3.068 20 0 BGADHN CC1(C)CCC[C@H](CN2CCOCC23CC3)C1 ZINC000520617199 386707600 /nfs/dbraw/zinc/70/76/00/386707600.db2.gz FBYBMKNGDRZZCK-ZDUSSCGKSA-N 0 3 237.387 3.068 20 0 BGADHN Cc1nsc(C)c1CN1CC(C)(C)C[C@H]1C ZINC000520834948 388519904 /nfs/dbraw/zinc/51/99/04/388519904.db2.gz SNYPEIBBXFVAAF-SECBINFHSA-N 0 3 238.400 3.380 20 0 BGADHN Cc1nsc(C)c1CN1CC(C)(C)C[C@@H]1C ZINC000520834949 388519831 /nfs/dbraw/zinc/51/98/31/388519831.db2.gz SNYPEIBBXFVAAF-VIFPVBQESA-N 0 3 238.400 3.380 20 0 BGADHN CC[C@H](CO)N[C@H](C)c1cc2ccc(C)cc2o1 ZINC000520935267 383907092 /nfs/dbraw/zinc/90/70/92/383907092.db2.gz FRSQZUOQYXEFNT-DGCLKSJQSA-N 0 3 247.338 3.163 20 0 BGADHN CC[C@H](CO)N[C@@H](C)c1cc2ccc(C)cc2o1 ZINC000520935268 383907127 /nfs/dbraw/zinc/90/71/27/383907127.db2.gz FRSQZUOQYXEFNT-WCQYABFASA-N 0 3 247.338 3.163 20 0 BGADHN Cc1ccc(CCNCc2ccc(F)cc2)o1 ZINC000520947971 388558962 /nfs/dbraw/zinc/55/89/62/388558962.db2.gz IOOTUXAYJOGJKE-UHFFFAOYSA-N 0 3 233.286 3.059 20 0 BGADHN CO[C@H](C)[C@@H](C)NCc1ccc(C)cc1Cl ZINC000521054493 388560531 /nfs/dbraw/zinc/56/05/31/388560531.db2.gz CNUCTNTYZJMJPX-GHMZBOCLSA-N 0 3 241.762 3.161 20 0 BGADHN CO[C@@H](C)[C@@H](C)NCc1ccc(C)cc1Cl ZINC000521054496 388561063 /nfs/dbraw/zinc/56/10/63/388561063.db2.gz CNUCTNTYZJMJPX-MNOVXSKESA-N 0 3 241.762 3.161 20 0 BGADHN CC[C@H]1CCC[C@@H]1NCc1noc2ccccc21 ZINC000521068207 388561709 /nfs/dbraw/zinc/56/17/09/388561709.db2.gz PPOPCYPXUHVTDB-AAEUAGOBSA-N 0 3 244.338 3.496 20 0 BGADHN CC[C@@H]1CCC[C@H]1NCc1noc2ccccc21 ZINC000521068208 388561997 /nfs/dbraw/zinc/56/19/97/388561997.db2.gz PPOPCYPXUHVTDB-DGCLKSJQSA-N 0 3 244.338 3.496 20 0 BGADHN CC[C@H]1CCC[C@H]1NCc1noc2ccccc21 ZINC000521068209 256835274 /nfs/dbraw/zinc/83/52/74/256835274.db2.gz PPOPCYPXUHVTDB-WCQYABFASA-N 0 3 244.338 3.496 20 0 BGADHN CC[C@@H]1CCC[C@@H]1NCc1noc2ccccc21 ZINC000521068210 388562375 /nfs/dbraw/zinc/56/23/75/388562375.db2.gz PPOPCYPXUHVTDB-YPMHNXCESA-N 0 3 244.338 3.496 20 0 BGADHN Cc1nc(CN[C@H]2CCCC[C@H]2C(C)C)[nH]c1C ZINC000521069475 259339479 /nfs/dbraw/zinc/33/94/79/259339479.db2.gz KVHLERVSVMIUPY-KBPBESRZSA-N 0 3 249.402 3.331 20 0 BGADHN Cc1nc(CN[C@H]2CCCC[C@@H]2C(C)C)[nH]c1C ZINC000521069476 259339129 /nfs/dbraw/zinc/33/91/29/259339129.db2.gz KVHLERVSVMIUPY-KGLIPLIRSA-N 0 3 249.402 3.331 20 0 BGADHN Cc1nc(CN[C@@H]2CCCC[C@H]2C(C)C)[nH]c1C ZINC000521069477 259339606 /nfs/dbraw/zinc/33/96/06/259339606.db2.gz KVHLERVSVMIUPY-UONOGXRCSA-N 0 3 249.402 3.331 20 0 BGADHN Cc1nc(CN[C@@H]2CCCC[C@@H]2C(C)C)[nH]c1C ZINC000521069478 259339473 /nfs/dbraw/zinc/33/94/73/259339473.db2.gz KVHLERVSVMIUPY-ZIAGYGMSSA-N 0 3 249.402 3.331 20 0 BGADHN CC1(C)C[C@H](NC2(c3ccccc3)CCC2)CO1 ZINC000521069711 256835428 /nfs/dbraw/zinc/83/54/28/256835428.db2.gz RLGVSVVSMAAPME-AWEZNQCLSA-N 0 3 245.366 3.223 20 0 BGADHN CC1(C)C[C@@H](NC2(c3ccccc3)CCC2)CO1 ZINC000521069712 388562602 /nfs/dbraw/zinc/56/26/02/388562602.db2.gz RLGVSVVSMAAPME-CQSZACIVSA-N 0 3 245.366 3.223 20 0 BGADHN COc1ccc(F)c(CNCCCC(C)C)c1 ZINC000521075111 388561941 /nfs/dbraw/zinc/56/19/41/388561941.db2.gz QTTKKMKKRGKTIM-UHFFFAOYSA-N 0 3 239.334 3.360 20 0 BGADHN CCC(CC)N(Cc1cccnc1OC)C1CC1 ZINC000521241808 388565433 /nfs/dbraw/zinc/56/54/33/388565433.db2.gz PCXMYCTZIBANSC-UHFFFAOYSA-N 0 3 248.370 3.243 20 0 BGADHN C[C@H](N[C@H]1CCC1(C)C)c1cn2ccccc2n1 ZINC000521272276 388568221 /nfs/dbraw/zinc/56/82/21/388568221.db2.gz WSYAQQSGVWHFCZ-AAEUAGOBSA-N 0 3 243.354 3.174 20 0 BGADHN C[C@@H](N[C@@H]1CCC1(C)C)c1cn2ccccc2n1 ZINC000521272277 388567671 /nfs/dbraw/zinc/56/76/71/388567671.db2.gz WSYAQQSGVWHFCZ-DGCLKSJQSA-N 0 3 243.354 3.174 20 0 BGADHN C[C@H](N[C@@H]1CCC1(C)C)c1cn2ccccc2n1 ZINC000521272278 388567648 /nfs/dbraw/zinc/56/76/48/388567648.db2.gz WSYAQQSGVWHFCZ-WCQYABFASA-N 0 3 243.354 3.174 20 0 BGADHN C[C@@H](N[C@H]1CCC1(C)C)c1cn2ccccc2n1 ZINC000521272279 388567682 /nfs/dbraw/zinc/56/76/82/388567682.db2.gz WSYAQQSGVWHFCZ-YPMHNXCESA-N 0 3 243.354 3.174 20 0 BGADHN CCC(CC)CNCc1cn2cc(C)ccc2n1 ZINC000521282863 388567713 /nfs/dbraw/zinc/56/77/13/388567713.db2.gz UBNXTZMKXRGRLO-UHFFFAOYSA-N 0 3 245.370 3.169 20 0 BGADHN C[C@@H]1CCN(Cc2cocn2)[C@H]2CCCC[C@H]12 ZINC000521342420 259305940 /nfs/dbraw/zinc/30/59/40/259305940.db2.gz DDRYMVLQNALREQ-BNOWGMLFSA-N 0 3 234.343 3.075 20 0 BGADHN C[C@@H]1CCN(Cc2cocn2)[C@@H]2CCCC[C@@H]12 ZINC000521342423 259305912 /nfs/dbraw/zinc/30/59/12/259305912.db2.gz DDRYMVLQNALREQ-KWCYVHTRSA-N 0 3 234.343 3.075 20 0 BGADHN C[C@@H]1CCN(Cc2cocn2)[C@@H]2CCCC[C@H]12 ZINC000521342424 384399278 /nfs/dbraw/zinc/39/92/78/384399278.db2.gz DDRYMVLQNALREQ-MRVWCRGKSA-N 0 3 234.343 3.075 20 0 BGADHN C[C@@H]1CCN(Cc2cocn2)[C@H]2CCCC[C@@H]12 ZINC000521342425 384400239 /nfs/dbraw/zinc/40/02/39/384400239.db2.gz DDRYMVLQNALREQ-XBFCOCLRSA-N 0 3 234.343 3.075 20 0 BGADHN C[C@H](CCc1ccco1)NC1(CF)CCC1 ZINC000521438173 386172540 /nfs/dbraw/zinc/17/25/40/386172540.db2.gz UCVRMRHQLQXPHJ-LLVKDONJSA-N 0 3 225.307 3.083 20 0 BGADHN C[C@@H](CCc1ccco1)NC1(CF)CCC1 ZINC000521438174 386172867 /nfs/dbraw/zinc/17/28/67/386172867.db2.gz UCVRMRHQLQXPHJ-NSHDSACASA-N 0 3 225.307 3.083 20 0 BGADHN Cc1cc(C)cc(CN(C)CC2=CCCOC2)c1 ZINC000521535019 384367367 /nfs/dbraw/zinc/36/73/67/384367367.db2.gz ABYBGSVJLRQQPE-UHFFFAOYSA-N 0 3 245.366 3.082 20 0 BGADHN C[C@H](Cc1ccsc1)N1CC(CC(F)F)C1 ZINC000521615869 388618741 /nfs/dbraw/zinc/61/87/41/388618741.db2.gz JRWSFMQXXZEOBW-SECBINFHSA-N 0 3 245.338 3.266 20 0 BGADHN C[C@@H](Cc1ccsc1)N1CC(CC(F)F)C1 ZINC000521615884 388618642 /nfs/dbraw/zinc/61/86/42/388618642.db2.gz JRWSFMQXXZEOBW-VIFPVBQESA-N 0 3 245.338 3.266 20 0 BGADHN CN(Cc1cccc(F)c1F)C(C)(C)C ZINC000521620642 388619101 /nfs/dbraw/zinc/61/91/01/388619101.db2.gz OMJHEYTVNDOKKY-UHFFFAOYSA-N 0 3 213.271 3.195 20 0 BGADHN Cc1ccc(CCNCc2ccccc2F)o1 ZINC000521815337 388629120 /nfs/dbraw/zinc/62/91/20/388629120.db2.gz VAQTZGWHNSPGQJ-UHFFFAOYSA-N 0 3 233.286 3.059 20 0 BGADHN C/C(=C/c1ccccc1)CNCCOC(C)(C)C ZINC000521834012 388633671 /nfs/dbraw/zinc/63/36/71/388633671.db2.gz ROIAWYDHDXWQOK-OWBHPGMISA-N 0 3 247.382 3.495 20 0 BGADHN C/C(=C\c1ccccc1)CNCCOC(C)(C)C ZINC000521834013 388633759 /nfs/dbraw/zinc/63/37/59/388633759.db2.gz ROIAWYDHDXWQOK-WYMLVPIESA-N 0 3 247.382 3.495 20 0 BGADHN CCC(C)(C)CNCc1cn2cc(C)ccc2n1 ZINC000521987922 388672620 /nfs/dbraw/zinc/67/26/20/388672620.db2.gz HGNFZXNSIZYDER-UHFFFAOYSA-N 0 3 245.370 3.169 20 0 BGADHN CCCN(Cc1oc(CC)nc1C)C(C)C ZINC000522010368 388674730 /nfs/dbraw/zinc/67/47/30/388674730.db2.gz BERUUEHQUJXHTO-UHFFFAOYSA-N 0 3 224.348 3.166 20 0 BGADHN CC1(CNCc2csc(-c3ccco3)n2)CC1 ZINC000522023228 388675346 /nfs/dbraw/zinc/67/53/46/388675346.db2.gz SWRUKJYFNKCRPY-UHFFFAOYSA-N 0 3 248.351 3.293 20 0 BGADHN CC[C@@H]1CN(CCCc2ccccc2)C[C@@H](C)O1 ZINC000522081735 398108919 /nfs/dbraw/zinc/10/89/19/398108919.db2.gz VHDIYIPBPFSUDE-GDBMZVCRSA-N 0 3 247.382 3.119 20 0 BGADHN CC[C@@H]1CN(CCCc2ccccc2)C[C@H](C)O1 ZINC000522081739 398108807 /nfs/dbraw/zinc/10/88/07/398108807.db2.gz VHDIYIPBPFSUDE-GOEBONIOSA-N 0 3 247.382 3.119 20 0 BGADHN CC[C@H]1CN(CCCc2ccccc2)C[C@H](C)O1 ZINC000522081740 398109327 /nfs/dbraw/zinc/10/93/27/398109327.db2.gz VHDIYIPBPFSUDE-HOCLYGCPSA-N 0 3 247.382 3.119 20 0 BGADHN CC[C@H]1CN(CCCc2ccccc2)C[C@@H](C)O1 ZINC000522081742 398109373 /nfs/dbraw/zinc/10/93/73/398109373.db2.gz VHDIYIPBPFSUDE-ZBFHGGJFSA-N 0 3 247.382 3.119 20 0 BGADHN CCN1CCC(C(=O)c2ccc(C)cc2C)CC1 ZINC000522142118 388703720 /nfs/dbraw/zinc/70/37/20/388703720.db2.gz DMZRSGLXRTVFLY-UHFFFAOYSA-N 0 3 245.366 3.218 20 0 BGADHN CCn1cc(CN(C)CCCC(C)(C)C)cn1 ZINC000522197909 388719890 /nfs/dbraw/zinc/71/98/90/388719890.db2.gz RZRWCUDJLOFIKQ-UHFFFAOYSA-N 0 3 237.391 3.161 20 0 BGADHN Cc1cccc(OCCN(C)[C@H]2C=CCCC2)c1 ZINC000522208981 388721987 /nfs/dbraw/zinc/72/19/87/388721987.db2.gz HWYAPODOSKZNRV-HNNXBMFYSA-N 0 3 245.366 3.414 20 0 BGADHN Cc1cccc(OCCN(C)[C@@H]2C=CCCC2)c1 ZINC000522208982 388721293 /nfs/dbraw/zinc/72/12/93/388721293.db2.gz HWYAPODOSKZNRV-OAHLLOKOSA-N 0 3 245.366 3.414 20 0 BGADHN CC(C)(C)CCN1CCO[C@H](c2ccccc2)C1 ZINC000522209210 386067259 /nfs/dbraw/zinc/06/72/59/386067259.db2.gz ADDAYJLHBWANOF-HNNXBMFYSA-N 0 3 247.382 3.496 20 0 BGADHN CC(C)(C)CCN1CCO[C@@H](c2ccccc2)C1 ZINC000522209211 386067761 /nfs/dbraw/zinc/06/77/61/386067761.db2.gz ADDAYJLHBWANOF-OAHLLOKOSA-N 0 3 247.382 3.496 20 0 BGADHN CCC(CC)N(Cc1c(C)noc1C)C1CC1 ZINC000522475316 388756448 /nfs/dbraw/zinc/75/64/48/388756448.db2.gz XRTKYWNFBGYLSX-UHFFFAOYSA-N 0 3 236.359 3.444 20 0 BGADHN CC[C@@H]1CO[C@H](C)CN1C[C@@H](C)c1ccccc1 ZINC000522662730 388770759 /nfs/dbraw/zinc/77/07/59/388770759.db2.gz CEGDMPWIKYLFGX-IIAWOOMASA-N 0 3 247.382 3.289 20 0 BGADHN CC[C@@H]1CO[C@@H](C)CN1C[C@@H](C)c1ccccc1 ZINC000522662731 388771542 /nfs/dbraw/zinc/77/15/42/388771542.db2.gz CEGDMPWIKYLFGX-IJEWVQPXSA-N 0 3 247.382 3.289 20 0 BGADHN CC[C@@H]1CO[C@@H](C)CN1C[C@H](C)c1ccccc1 ZINC000522662732 388771627 /nfs/dbraw/zinc/77/16/27/388771627.db2.gz CEGDMPWIKYLFGX-OFQRWUPVSA-N 0 3 247.382 3.289 20 0 BGADHN CC[C@@H]1CO[C@H](C)CN1C[C@H](C)c1ccccc1 ZINC000522662733 388770512 /nfs/dbraw/zinc/77/05/12/388770512.db2.gz CEGDMPWIKYLFGX-SQWLQELKSA-N 0 3 247.382 3.289 20 0 BGADHN CCCCCN1CCc2sccc2C1 ZINC000522776520 385868860 /nfs/dbraw/zinc/86/88/60/385868860.db2.gz JYJSAFBXXILDRZ-UHFFFAOYSA-N 0 3 209.358 3.296 20 0 BGADHN Cc1cccc(C)c1CN1C[C@H](C)OC(C)(C)C1 ZINC000523438137 398113807 /nfs/dbraw/zinc/11/38/07/398113807.db2.gz NPKNISHRLWDCNQ-AWEZNQCLSA-N 0 3 247.382 3.303 20 0 BGADHN Cc1cccc(C)c1CN1C[C@@H](C)OC(C)(C)C1 ZINC000523438138 398113675 /nfs/dbraw/zinc/11/36/75/398113675.db2.gz NPKNISHRLWDCNQ-CQSZACIVSA-N 0 3 247.382 3.303 20 0 BGADHN CCN(Cc1nc2ccccc2o1)C1CCC1 ZINC000523439699 324206622 /nfs/dbraw/zinc/20/66/22/324206622.db2.gz KNGDORLXQWGIFV-UHFFFAOYSA-N 0 3 230.311 3.202 20 0 BGADHN CCCN1CCc2cccc(F)c2[C@@H]1C ZINC000523448280 388840139 /nfs/dbraw/zinc/84/01/39/388840139.db2.gz QODUXKUZYGTRFN-JTQLQIEISA-N 0 3 207.292 3.155 20 0 BGADHN CCCN1CCc2cccc(F)c2[C@H]1C ZINC000523448281 388839245 /nfs/dbraw/zinc/83/92/45/388839245.db2.gz QODUXKUZYGTRFN-SNVBAGLBSA-N 0 3 207.292 3.155 20 0 BGADHN C[C@@H]1CCN(Cc2cccnc2)[C@H]2CCCC[C@H]12 ZINC000524025910 388346425 /nfs/dbraw/zinc/34/64/25/388346425.db2.gz NYOHJVYSPCFGFV-BMFZPTHFSA-N 0 3 244.382 3.482 20 0 BGADHN C[C@@H]1CCN(Cc2cccnc2)[C@@H]2CCCC[C@H]12 ZINC000524025911 388346596 /nfs/dbraw/zinc/34/65/96/388346596.db2.gz NYOHJVYSPCFGFV-FVQBIDKESA-N 0 3 244.382 3.482 20 0 BGADHN C[C@@H]1CCN(Cc2cccnc2)[C@H]2CCCC[C@@H]12 ZINC000524025912 388345865 /nfs/dbraw/zinc/34/58/65/388345865.db2.gz NYOHJVYSPCFGFV-KBMXLJTQSA-N 0 3 244.382 3.482 20 0 BGADHN C[C@@H]1CCN(Cc2cccnc2)[C@@H]2CCCC[C@@H]12 ZINC000524025913 388346248 /nfs/dbraw/zinc/34/62/48/388346248.db2.gz NYOHJVYSPCFGFV-VNQPRFMTSA-N 0 3 244.382 3.482 20 0 BGADHN COc1ccc(C)cc1CN(C)CC(C)(C)C ZINC000524026560 388346450 /nfs/dbraw/zinc/34/64/50/388346450.db2.gz DLQOXYJGGHHCQA-UHFFFAOYSA-N 0 3 235.371 3.482 20 0 BGADHN Cc1ccc(CCNCc2cc(C)ccc2F)o1 ZINC000524197449 388350814 /nfs/dbraw/zinc/35/08/14/388350814.db2.gz NPAQMLUABBMSEO-UHFFFAOYSA-N 0 3 247.313 3.368 20 0 BGADHN CC(C)CCN1C[C@H](c2ccccc2)OC[C@H]1C ZINC000524309111 388355183 /nfs/dbraw/zinc/35/51/83/388355183.db2.gz LWWRDZCHVDFYLU-GDBMZVCRSA-N 0 3 247.382 3.495 20 0 BGADHN CC(C)CCN1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000524309112 388355725 /nfs/dbraw/zinc/35/57/25/388355725.db2.gz LWWRDZCHVDFYLU-GOEBONIOSA-N 0 3 247.382 3.495 20 0 BGADHN CC(C)CCN1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000524309113 388355531 /nfs/dbraw/zinc/35/55/31/388355531.db2.gz LWWRDZCHVDFYLU-HOCLYGCPSA-N 0 3 247.382 3.495 20 0 BGADHN CC(C)CCN1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000524309114 388355626 /nfs/dbraw/zinc/35/56/26/388355626.db2.gz LWWRDZCHVDFYLU-ZBFHGGJFSA-N 0 3 247.382 3.495 20 0 BGADHN CCc1cnc(CN2CCC[C@@H]2CC(C)C)o1 ZINC000524750545 388406707 /nfs/dbraw/zinc/40/67/07/388406707.db2.gz YAYCVTFLRWDBJW-GFCCVEGCSA-N 0 3 236.359 3.248 20 0 BGADHN CCc1cnc(CN2CCC[C@H]2CC(C)C)o1 ZINC000524750546 388406720 /nfs/dbraw/zinc/40/67/20/388406720.db2.gz YAYCVTFLRWDBJW-LBPRGKRZSA-N 0 3 236.359 3.248 20 0 BGADHN CCc1cnc(CN2C[C@@H](C)CCC[C@H]2C)o1 ZINC000524757101 388407539 /nfs/dbraw/zinc/40/75/39/388407539.db2.gz DEPCGKAZPSNFCH-NWDGAFQWSA-N 0 3 236.359 3.248 20 0 BGADHN CCc1cnc(CN2C[C@H](C)CCC[C@H]2C)o1 ZINC000524757104 388408356 /nfs/dbraw/zinc/40/83/56/388408356.db2.gz DEPCGKAZPSNFCH-VXGBXAGGSA-N 0 3 236.359 3.248 20 0 BGADHN CCc1cnc(CN2[C@H](C)C[C@H]3CCCC[C@@H]32)o1 ZINC000524757565 388408332 /nfs/dbraw/zinc/40/83/32/388408332.db2.gz GWPALQXTIBNMTA-BZPMIXESSA-N 0 3 248.370 3.390 20 0 BGADHN CCc1cnc(CN2[C@H](C)C[C@@H]3CCCC[C@@H]32)o1 ZINC000524757566 388408188 /nfs/dbraw/zinc/40/81/88/388408188.db2.gz GWPALQXTIBNMTA-DYEKYZERSA-N 0 3 248.370 3.390 20 0 BGADHN CCc1cnc(CN2[C@H](C)C[C@@H]3CCCC[C@H]32)o1 ZINC000524757567 388407580 /nfs/dbraw/zinc/40/75/80/388407580.db2.gz GWPALQXTIBNMTA-MBNYWOFBSA-N 0 3 248.370 3.390 20 0 BGADHN CCc1cnc(CN2[C@H](C)C[C@H]3CCCC[C@H]32)o1 ZINC000524757568 388408294 /nfs/dbraw/zinc/40/82/94/388408294.db2.gz GWPALQXTIBNMTA-YRGRVCCFSA-N 0 3 248.370 3.390 20 0 BGADHN CCc1cnc(CN2CCCCC[C@H]2CC)o1 ZINC000524758554 388408026 /nfs/dbraw/zinc/40/80/26/388408026.db2.gz FEKBKNZJRKQDFH-GFCCVEGCSA-N 0 3 236.359 3.392 20 0 BGADHN CCc1cnc(CN2CCCCC[C@@H]2CC)o1 ZINC000524758555 388407637 /nfs/dbraw/zinc/40/76/37/388407637.db2.gz FEKBKNZJRKQDFH-LBPRGKRZSA-N 0 3 236.359 3.392 20 0 BGADHN CC[C@@H](O)CN(C)Cc1ccc(C(C)(C)C)cc1 ZINC000524759214 388407683 /nfs/dbraw/zinc/40/76/83/388407683.db2.gz RJDHXOWVLOSFAK-OAHLLOKOSA-N 0 3 249.398 3.187 20 0 BGADHN C(CN1CCCCC1)OC1CCCCCC1 ZINC000524906523 388412610 /nfs/dbraw/zinc/41/26/10/388412610.db2.gz LYIZHKALCMFOJA-UHFFFAOYSA-N 0 3 225.376 3.212 20 0 BGADHN C[C@@H]1CCN(Cc2ccncc2)[C@H]2CCCC[C@H]12 ZINC000525119936 388416610 /nfs/dbraw/zinc/41/66/10/388416610.db2.gz CVPZYNFSDORVAU-BMFZPTHFSA-N 0 3 244.382 3.482 20 0 BGADHN C[C@@H]1CCN(Cc2ccncc2)[C@@H]2CCCC[C@H]12 ZINC000525119937 388416778 /nfs/dbraw/zinc/41/67/78/388416778.db2.gz CVPZYNFSDORVAU-FVQBIDKESA-N 0 3 244.382 3.482 20 0 BGADHN C[C@@H]1CCN(Cc2ccncc2)[C@H]2CCCC[C@@H]12 ZINC000525119938 388416966 /nfs/dbraw/zinc/41/69/66/388416966.db2.gz CVPZYNFSDORVAU-KBMXLJTQSA-N 0 3 244.382 3.482 20 0 BGADHN C[C@@H]1CCN(Cc2ccncc2)[C@@H]2CCCC[C@@H]12 ZINC000525119939 388416537 /nfs/dbraw/zinc/41/65/37/388416537.db2.gz CVPZYNFSDORVAU-VNQPRFMTSA-N 0 3 244.382 3.482 20 0 BGADHN CCN(CCOCC1CC1)Cc1ccc(C)cc1 ZINC000525120030 388416432 /nfs/dbraw/zinc/41/64/32/388416432.db2.gz MBVBJCJUWYKMBR-UHFFFAOYSA-N 0 3 247.382 3.244 20 0 BGADHN CC(C)=CCN1Cc2ccccc2C[C@H]1C ZINC000525125154 388417744 /nfs/dbraw/zinc/41/77/44/388417744.db2.gz CWTRXILLYDWWBR-CYBMUJFWSA-N 0 3 215.340 3.399 20 0 BGADHN CC(C)=CCN1Cc2ccccc2C[C@@H]1C ZINC000525125155 259695820 /nfs/dbraw/zinc/69/58/20/259695820.db2.gz CWTRXILLYDWWBR-ZDUSSCGKSA-N 0 3 215.340 3.399 20 0 BGADHN Cc1ccoc1CNCCCc1cccc(F)c1 ZINC000525181962 388419205 /nfs/dbraw/zinc/41/92/05/388419205.db2.gz LHXNRACBKGJXOB-UHFFFAOYSA-N 0 3 247.313 3.450 20 0 BGADHN Cc1ccoc1CN[C@H]1C[C@H]1Cc1ccccc1 ZINC000525195671 388420364 /nfs/dbraw/zinc/42/03/64/388420364.db2.gz SCFLIXMKUAAIQP-CABCVRRESA-N 0 3 241.334 3.309 20 0 BGADHN Cc1ccoc1CN[C@H]1C[C@@H]1Cc1ccccc1 ZINC000525195672 388420289 /nfs/dbraw/zinc/42/02/89/388420289.db2.gz SCFLIXMKUAAIQP-GJZGRUSLSA-N 0 3 241.334 3.309 20 0 BGADHN Cc1ccoc1CN[C@@H]1C[C@H]1Cc1ccccc1 ZINC000525195673 388420412 /nfs/dbraw/zinc/42/04/12/388420412.db2.gz SCFLIXMKUAAIQP-HUUCEWRRSA-N 0 3 241.334 3.309 20 0 BGADHN Cc1ccoc1CN[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000525195674 388420532 /nfs/dbraw/zinc/42/05/32/388420532.db2.gz SCFLIXMKUAAIQP-LSDHHAIUSA-N 0 3 241.334 3.309 20 0 BGADHN CCc1cnc(CN(CC)[C@H](C)C(C)C)o1 ZINC000525269889 388423079 /nfs/dbraw/zinc/42/30/79/388423079.db2.gz RVLNEUOPPJSWTP-LLVKDONJSA-N 0 3 224.348 3.103 20 0 BGADHN CCc1cnc(CN(CC)[C@@H](C)C(C)C)o1 ZINC000525269890 388423598 /nfs/dbraw/zinc/42/35/98/388423598.db2.gz RVLNEUOPPJSWTP-NSHDSACASA-N 0 3 224.348 3.103 20 0 BGADHN CCCN(Cc1ncc(CC)o1)CC(C)C ZINC000525270165 388423715 /nfs/dbraw/zinc/42/37/15/388423715.db2.gz VPDNFPXRPFDYRR-UHFFFAOYSA-N 0 3 224.348 3.105 20 0 BGADHN CCn1cc(CN(C)CCC(C)(C)CC)cn1 ZINC000525271394 388423638 /nfs/dbraw/zinc/42/36/38/388423638.db2.gz UZKAPKJCLRLTDO-UHFFFAOYSA-N 0 3 237.391 3.161 20 0 BGADHN Cc1cccc(CN2C[C@@H](C)S[C@@H](C)C2)c1 ZINC000525273583 388423775 /nfs/dbraw/zinc/42/37/75/388423775.db2.gz RYECGVNGWKPEOE-BETUJISGSA-N 0 3 235.396 3.321 20 0 BGADHN Cc1cccc(CN2C[C@@H](C)S[C@H](C)C2)c1 ZINC000525273584 388423347 /nfs/dbraw/zinc/42/33/47/388423347.db2.gz RYECGVNGWKPEOE-CHWSQXEVSA-N 0 3 235.396 3.321 20 0 BGADHN Cc1cccc(CN2C[C@H](C)S[C@@H](C)C2)c1 ZINC000525273585 388423672 /nfs/dbraw/zinc/42/36/72/388423672.db2.gz RYECGVNGWKPEOE-STQMWFEESA-N 0 3 235.396 3.321 20 0 BGADHN CCc1cnc(CN2CCC[C@@H]2C2CCC2)o1 ZINC000525275199 388423682 /nfs/dbraw/zinc/42/36/82/388423682.db2.gz WFDIVXCKKXBUOJ-CYBMUJFWSA-N 0 3 234.343 3.002 20 0 BGADHN CCc1cnc(CN2CCC[C@H]2C2CCC2)o1 ZINC000525275200 388423528 /nfs/dbraw/zinc/42/35/28/388423528.db2.gz WFDIVXCKKXBUOJ-ZDUSSCGKSA-N 0 3 234.343 3.002 20 0 BGADHN Cc1cnc(CN2CC[C@H](C)[C@@H]3CCCC[C@H]32)o1 ZINC000525275402 388423632 /nfs/dbraw/zinc/42/36/32/388423632.db2.gz DBLPWPRTTQUYKU-FPMFFAJLSA-N 0 3 248.370 3.384 20 0 BGADHN Cc1cnc(CN2CC[C@H](C)[C@H]3CCCC[C@H]32)o1 ZINC000525275403 388422988 /nfs/dbraw/zinc/42/29/88/388422988.db2.gz DBLPWPRTTQUYKU-IACUBPJLSA-N 0 3 248.370 3.384 20 0 BGADHN Cc1cnc(CN2CC[C@H](C)[C@@H]3CCCC[C@@H]32)o1 ZINC000525275404 388423855 /nfs/dbraw/zinc/42/38/55/388423855.db2.gz DBLPWPRTTQUYKU-UBHSHLNASA-N 0 3 248.370 3.384 20 0 BGADHN CCCCN1CCc2c(Cl)cccc2C1 ZINC000525328328 388425832 /nfs/dbraw/zinc/42/58/32/388425832.db2.gz OPEPWYZQKSOVML-UHFFFAOYSA-N 0 3 223.747 3.498 20 0 BGADHN C[C@@H]1C[C@@H](C)N(Cc2ccccc2F)C1 ZINC000525407642 388427993 /nfs/dbraw/zinc/42/79/93/388427993.db2.gz CESLOCSJZFSQOM-GHMZBOCLSA-N 0 3 207.292 3.056 20 0 BGADHN C[C@@H]1C[C@H](C)N(Cc2ccccc2F)C1 ZINC000525407643 388427794 /nfs/dbraw/zinc/42/77/94/388427794.db2.gz CESLOCSJZFSQOM-MNOVXSKESA-N 0 3 207.292 3.056 20 0 BGADHN C[C@H]1C[C@H](C)N(Cc2ccccc2F)C1 ZINC000525407644 388427455 /nfs/dbraw/zinc/42/74/55/388427455.db2.gz CESLOCSJZFSQOM-QWRGUYRKSA-N 0 3 207.292 3.056 20 0 BGADHN C[C@@H]1C[C@H](C)CN1Cc1ccccc1F ZINC000525407645 388427244 /nfs/dbraw/zinc/42/72/44/388427244.db2.gz CESLOCSJZFSQOM-WDEREUQCSA-N 0 3 207.292 3.056 20 0 BGADHN COc1ccc(CN2C[C@H](C)C[C@H]2C)cc1F ZINC000525410552 388428877 /nfs/dbraw/zinc/42/88/77/388428877.db2.gz MBDSYVOWQLDSMI-GHMZBOCLSA-N 0 3 237.318 3.065 20 0 BGADHN COc1ccc(CN2C[C@H](C)C[C@@H]2C)cc1F ZINC000525410554 388428278 /nfs/dbraw/zinc/42/82/78/388428278.db2.gz MBDSYVOWQLDSMI-MNOVXSKESA-N 0 3 237.318 3.065 20 0 BGADHN COc1ccc(CN2C[C@@H](C)C[C@@H]2C)cc1F ZINC000525410555 388428826 /nfs/dbraw/zinc/42/88/26/388428826.db2.gz MBDSYVOWQLDSMI-QWRGUYRKSA-N 0 3 237.318 3.065 20 0 BGADHN COc1ccc(CN2C[C@@H](C)C[C@H]2C)cc1F ZINC000525410557 388428302 /nfs/dbraw/zinc/42/83/02/388428302.db2.gz MBDSYVOWQLDSMI-WDEREUQCSA-N 0 3 237.318 3.065 20 0 BGADHN C[C@@H]1CCN(Cc2ccon2)[C@@H]2CCCC[C@@H]12 ZINC000525422660 388429000 /nfs/dbraw/zinc/42/90/00/388429000.db2.gz GIWYBZBHVWIJRZ-KWCYVHTRSA-N 0 3 234.343 3.075 20 0 BGADHN C[C@@H]1CCN(Cc2ccon2)[C@@H]2CCCC[C@H]12 ZINC000525422661 388428390 /nfs/dbraw/zinc/42/83/90/388428390.db2.gz GIWYBZBHVWIJRZ-MRVWCRGKSA-N 0 3 234.343 3.075 20 0 BGADHN C[C@@H]1CCN(Cc2ccon2)[C@H]2CCCC[C@@H]12 ZINC000525422662 388428599 /nfs/dbraw/zinc/42/85/99/388428599.db2.gz GIWYBZBHVWIJRZ-XBFCOCLRSA-N 0 3 234.343 3.075 20 0 BGADHN CCSCCN(C)Cc1ccc(CC)cc1 ZINC000525633884 259352611 /nfs/dbraw/zinc/35/26/11/259352611.db2.gz HWTYPXBWXBNTQM-UHFFFAOYSA-N 0 3 237.412 3.434 20 0 BGADHN CCSCCN(Cc1ccccn1)C(C)C ZINC000525634104 384478670 /nfs/dbraw/zinc/47/86/70/384478670.db2.gz ASMNRWXKDUYZHF-UHFFFAOYSA-N 0 3 238.400 3.045 20 0 BGADHN CCc1ccc(CCNCc2occc2C)cc1 ZINC000525695138 323028260 /nfs/dbraw/zinc/02/82/60/323028260.db2.gz VQAVXCWWHORMNF-UHFFFAOYSA-N 0 3 243.350 3.483 20 0 BGADHN CC(C)(C)CCN1CCOC[C@H]1c1ccccc1 ZINC000525781535 259395659 /nfs/dbraw/zinc/39/56/59/259395659.db2.gz LIUNUFJAPQFMQO-HNNXBMFYSA-N 0 3 247.382 3.496 20 0 BGADHN CC(C)(C)CCN1CCOC[C@@H]1c1ccccc1 ZINC000525781536 259395708 /nfs/dbraw/zinc/39/57/08/259395708.db2.gz LIUNUFJAPQFMQO-OAHLLOKOSA-N 0 3 247.382 3.496 20 0 BGADHN Cc1ccc(CN2C[C@@H](C)S[C@@H](C)C2)cc1 ZINC000525785864 259396852 /nfs/dbraw/zinc/39/68/52/259396852.db2.gz GKOVMAXBYYSJBN-BETUJISGSA-N 0 3 235.396 3.321 20 0 BGADHN Cc1ccc(CN2C[C@@H](C)S[C@H](C)C2)cc1 ZINC000525785865 259396859 /nfs/dbraw/zinc/39/68/59/259396859.db2.gz GKOVMAXBYYSJBN-CHWSQXEVSA-N 0 3 235.396 3.321 20 0 BGADHN Cc1ccc(CN2C[C@H](C)S[C@@H](C)C2)cc1 ZINC000525785866 259396872 /nfs/dbraw/zinc/39/68/72/259396872.db2.gz GKOVMAXBYYSJBN-STQMWFEESA-N 0 3 235.396 3.321 20 0 BGADHN Cc1ccccc1[C@H]1CN(CC(C)C)[C@H](C)CO1 ZINC000525786031 259396883 /nfs/dbraw/zinc/39/68/83/259396883.db2.gz FCEMIRDTGCDINH-GDBMZVCRSA-N 0 3 247.382 3.413 20 0 BGADHN Cc1ccccc1[C@H]1CN(CC(C)C)[C@@H](C)CO1 ZINC000525786032 259396774 /nfs/dbraw/zinc/39/67/74/259396774.db2.gz FCEMIRDTGCDINH-GOEBONIOSA-N 0 3 247.382 3.413 20 0 BGADHN Cc1ccccc1[C@@H]1CN(CC(C)C)[C@@H](C)CO1 ZINC000525786033 259396703 /nfs/dbraw/zinc/39/67/03/259396703.db2.gz FCEMIRDTGCDINH-HOCLYGCPSA-N 0 3 247.382 3.413 20 0 BGADHN Cc1ccccc1[C@@H]1CN(CC(C)C)[C@H](C)CO1 ZINC000525786034 259396867 /nfs/dbraw/zinc/39/68/67/259396867.db2.gz FCEMIRDTGCDINH-ZBFHGGJFSA-N 0 3 247.382 3.413 20 0 BGADHN COC[C@H](C)CN(C)Cc1ccc(Cl)s1 ZINC000525865249 386512164 /nfs/dbraw/zinc/51/21/64/386512164.db2.gz MZZWQQHJCJPBLO-SECBINFHSA-N 0 3 247.791 3.116 20 0 BGADHN COC[C@@H](C)CN(C)Cc1ccc(Cl)s1 ZINC000525865250 386511717 /nfs/dbraw/zinc/51/17/17/386511717.db2.gz MZZWQQHJCJPBLO-VIFPVBQESA-N 0 3 247.791 3.116 20 0 BGADHN Cc1ccc2c(c1)[C@@H](NCCCC(C)C)CO2 ZINC000525869810 386593471 /nfs/dbraw/zinc/59/34/71/386593471.db2.gz BNVPBWGHUBVSGS-AWEZNQCLSA-N 0 3 233.355 3.454 20 0 BGADHN Cc1ccc2c(c1)[C@H](NCCCC(C)C)CO2 ZINC000525869811 386593274 /nfs/dbraw/zinc/59/32/74/386593274.db2.gz BNVPBWGHUBVSGS-CQSZACIVSA-N 0 3 233.355 3.454 20 0 BGADHN Oc1ccc(C2CCN(CC3(F)CC3)CC2)cc1 ZINC000525976965 388440137 /nfs/dbraw/zinc/44/01/37/388440137.db2.gz PHXVGICQWYPYTA-UHFFFAOYSA-N 0 3 249.329 3.074 20 0 BGADHN FC1(CN2CCC[C@@H]2c2ccccc2)CC1 ZINC000525977115 259710367 /nfs/dbraw/zinc/71/03/67/259710367.db2.gz QMTCLRPOUOWING-CYBMUJFWSA-N 0 3 219.303 3.326 20 0 BGADHN FC1(CN2CCC[C@H]2c2ccccc2)CC1 ZINC000525977116 388440436 /nfs/dbraw/zinc/44/04/36/388440436.db2.gz QMTCLRPOUOWING-ZDUSSCGKSA-N 0 3 219.303 3.326 20 0 BGADHN CCCN(Cc1ccccc1)CC1(F)CC1 ZINC000525977366 388440294 /nfs/dbraw/zinc/44/02/94/388440294.db2.gz NFWCJDZQTMKGMZ-UHFFFAOYSA-N 0 3 221.319 3.401 20 0 BGADHN C[C@@H]1CCN(CC2(F)CC2)[C@H]2CCCC[C@@H]12 ZINC000525977676 388441109 /nfs/dbraw/zinc/44/11/09/388441109.db2.gz SPEVAIYLBGBBLL-AGIUHOORSA-N 0 3 225.351 3.389 20 0 BGADHN C[C@@H]1CCN(CC2(F)CC2)[C@@H]2CCCC[C@@H]12 ZINC000525977677 388440822 /nfs/dbraw/zinc/44/08/22/388440822.db2.gz SPEVAIYLBGBBLL-FRRDWIJNSA-N 0 3 225.351 3.389 20 0 BGADHN C[C@@H]1CCN(CC2(F)CC2)[C@@H]2CCCC[C@H]12 ZINC000525977678 388441320 /nfs/dbraw/zinc/44/13/20/388441320.db2.gz SPEVAIYLBGBBLL-JHJVBQTASA-N 0 3 225.351 3.389 20 0 BGADHN C[C@@H]1CCN(CC2(F)CC2)[C@H]2CCCC[C@H]12 ZINC000525977679 388440864 /nfs/dbraw/zinc/44/08/64/388440864.db2.gz SPEVAIYLBGBBLL-UPJWGTAASA-N 0 3 225.351 3.389 20 0 BGADHN CCN(CCc1cccs1)CC1(F)CC1 ZINC000525977692 388440888 /nfs/dbraw/zinc/44/08/88/388440888.db2.gz UNNJCPCICMQGTE-UHFFFAOYSA-N 0 3 227.348 3.115 20 0 BGADHN Cc1ccc(C[C@@H](C)N(C)CC2(F)CC2)cc1 ZINC000525977753 388441294 /nfs/dbraw/zinc/44/12/94/388441294.db2.gz GQCCGFRDADZMNI-CYBMUJFWSA-N 0 3 235.346 3.360 20 0 BGADHN Cc1ccc(C[C@H](C)N(C)CC2(F)CC2)cc1 ZINC000525977754 388441148 /nfs/dbraw/zinc/44/11/48/388441148.db2.gz GQCCGFRDADZMNI-ZDUSSCGKSA-N 0 3 235.346 3.360 20 0 BGADHN CC[C@@H](Cc1ccccc1)N(C)CC1(F)CC1 ZINC000525977984 388440972 /nfs/dbraw/zinc/44/09/72/388440972.db2.gz SFNXTQIOHKVLCN-AWEZNQCLSA-N 0 3 235.346 3.442 20 0 BGADHN CC[C@H](Cc1ccccc1)N(C)CC1(F)CC1 ZINC000525977985 388440925 /nfs/dbraw/zinc/44/09/25/388440925.db2.gz SFNXTQIOHKVLCN-CQSZACIVSA-N 0 3 235.346 3.442 20 0 BGADHN C[C@@H]1c2ccccc2CCN1CC1(F)CC1 ZINC000525978484 388442027 /nfs/dbraw/zinc/44/20/27/388442027.db2.gz KWXOLNKRWCJCLH-LLVKDONJSA-N 0 3 219.303 3.108 20 0 BGADHN C[C@H]1c2ccccc2CCN1CC1(F)CC1 ZINC000525978485 388441622 /nfs/dbraw/zinc/44/16/22/388441622.db2.gz KWXOLNKRWCJCLH-NSHDSACASA-N 0 3 219.303 3.108 20 0 BGADHN FC1(CN2CCC[C@]3(CC=CCC3)C2)CC1 ZINC000525978829 388442981 /nfs/dbraw/zinc/44/29/81/388442981.db2.gz PCBSFZOSTOGKHP-CYBMUJFWSA-N 0 3 223.335 3.311 20 0 BGADHN FC1(CN2CCC[C@@]3(CC=CCC3)C2)CC1 ZINC000525978830 388442660 /nfs/dbraw/zinc/44/26/60/388442660.db2.gz PCBSFZOSTOGKHP-ZDUSSCGKSA-N 0 3 223.335 3.311 20 0 BGADHN C[C@H]1C[C@@H](c2ccccc2)CN1CC1(F)CC1 ZINC000525978845 388443210 /nfs/dbraw/zinc/44/32/10/388443210.db2.gz QOCBCICQDKIDHK-GXTWGEPZSA-N 0 3 233.330 3.367 20 0 BGADHN C[C@H]1C[C@H](c2ccccc2)CN1CC1(F)CC1 ZINC000525978846 388442994 /nfs/dbraw/zinc/44/29/94/388442994.db2.gz QOCBCICQDKIDHK-JSGCOSHPSA-N 0 3 233.330 3.367 20 0 BGADHN C[C@@H]1C[C@H](c2ccccc2)CN1CC1(F)CC1 ZINC000525978847 388442672 /nfs/dbraw/zinc/44/26/72/388442672.db2.gz QOCBCICQDKIDHK-OCCSQVGLSA-N 0 3 233.330 3.367 20 0 BGADHN C[C@@H]1C[C@@H](c2ccccc2)CN1CC1(F)CC1 ZINC000525978848 388442750 /nfs/dbraw/zinc/44/27/50/388442750.db2.gz QOCBCICQDKIDHK-TZMCWYRMSA-N 0 3 233.330 3.367 20 0 BGADHN CCC1(CC)[C@H](N(C)CC2(F)CC2)C[C@@H]1OC ZINC000525979631 388443735 /nfs/dbraw/zinc/44/37/35/388443735.db2.gz QBDCEFAHXCHMQF-NEPJUHHUSA-N 0 3 243.366 3.014 20 0 BGADHN CCC1(CC)[C@H](OC)C[C@@H]1N(C)CC1(F)CC1 ZINC000525979632 385899558 /nfs/dbraw/zinc/89/95/58/385899558.db2.gz QBDCEFAHXCHMQF-NWDGAFQWSA-N 0 3 243.366 3.014 20 0 BGADHN CCC1(CC)[C@@H](OC)C[C@@H]1N(C)CC1(F)CC1 ZINC000525979633 385898776 /nfs/dbraw/zinc/89/87/76/385898776.db2.gz QBDCEFAHXCHMQF-RYUDHWBXSA-N 0 3 243.366 3.014 20 0 BGADHN CCC1(CC)[C@H](OC)C[C@H]1N(C)CC1(F)CC1 ZINC000525979634 385899625 /nfs/dbraw/zinc/89/96/25/385899625.db2.gz QBDCEFAHXCHMQF-VXGBXAGGSA-N 0 3 243.366 3.014 20 0 BGADHN CC(C)(CNCC1(F)CC1)c1ccccc1F ZINC000525987532 388452829 /nfs/dbraw/zinc/45/28/29/388452829.db2.gz UTCNURSMLIYVHB-UHFFFAOYSA-N 0 3 239.309 3.195 20 0 BGADHN Cc1ccccc1C1(CNCC2(F)CC2)CC1 ZINC000525987748 388452423 /nfs/dbraw/zinc/45/24/23/388452423.db2.gz XHGAVUQWXLNMKG-UHFFFAOYSA-N 0 3 233.330 3.118 20 0 BGADHN Cc1cccc(C(C)(C)CNCC2(F)CC2)c1 ZINC000525987885 388452304 /nfs/dbraw/zinc/45/23/04/388452304.db2.gz UYFAYPJJZPEOEB-UHFFFAOYSA-N 0 3 235.346 3.364 20 0 BGADHN FC1(CNCCc2cc3ccccc3o2)CC1 ZINC000525988468 388452886 /nfs/dbraw/zinc/45/28/86/388452886.db2.gz DHMVFMKCFKPOCL-UHFFFAOYSA-N 0 3 233.286 3.067 20 0 BGADHN CC1(C)CN(CC2(F)CC2)CC(C)(C)C1 ZINC000525992032 388452351 /nfs/dbraw/zinc/45/23/51/388452351.db2.gz YYMLBMKCNIKKKP-UHFFFAOYSA-N 0 3 213.340 3.247 20 0 BGADHN CN(CCc1ccc(Cl)cc1)CC1(F)CC1 ZINC000525992116 388452574 /nfs/dbraw/zinc/45/25/74/388452574.db2.gz RRSNVFWIWLHVDR-UHFFFAOYSA-N 0 3 241.737 3.316 20 0 BGADHN FC1(CN2CCCC3(CCCC3)C2)CC1 ZINC000525992410 388452781 /nfs/dbraw/zinc/45/27/81/388452781.db2.gz TWYSOUXLQMIVGH-UHFFFAOYSA-N 0 3 211.324 3.145 20 0 BGADHN CN(CC1(F)CC1)CC1(c2ccccc2)CC1 ZINC000525992873 388452765 /nfs/dbraw/zinc/45/27/65/388452765.db2.gz TUJVLZNIFNJURN-UHFFFAOYSA-N 0 3 233.330 3.152 20 0 BGADHN CCC1(CC)CN(CC2(F)CC2)CCS1 ZINC000525993921 388452410 /nfs/dbraw/zinc/45/24/10/388452410.db2.gz UJRAKHBXMQAMLS-UHFFFAOYSA-N 0 3 231.380 3.096 20 0 BGADHN COc1c(C)cc(CN2[C@H](C)C[C@@H]2C)cc1C ZINC000525996587 388452419 /nfs/dbraw/zinc/45/24/19/388452419.db2.gz JGHHDPHIZMQPKS-BETUJISGSA-N 0 3 233.355 3.295 20 0 BGADHN COc1c(C)cc(CN2[C@H](C)C[C@H]2C)cc1C ZINC000525996588 388454123 /nfs/dbraw/zinc/45/41/23/388454123.db2.gz JGHHDPHIZMQPKS-CHWSQXEVSA-N 0 3 233.355 3.295 20 0 BGADHN COc1c(C)cc(CN2[C@@H](C)C[C@@H]2C)cc1C ZINC000525996589 388454211 /nfs/dbraw/zinc/45/42/11/388454211.db2.gz JGHHDPHIZMQPKS-STQMWFEESA-N 0 3 233.355 3.295 20 0 BGADHN CSc1ccc(CN2[C@H](C)C[C@H]2C)cc1 ZINC000525996870 388453512 /nfs/dbraw/zinc/45/35/12/388453512.db2.gz PLGWVDXVLYCZNB-GHMZBOCLSA-N 0 3 221.369 3.391 20 0 BGADHN CSc1ccc(CN2[C@H](C)C[C@@H]2C)cc1 ZINC000525996871 388454140 /nfs/dbraw/zinc/45/41/40/388454140.db2.gz PLGWVDXVLYCZNB-PHIMTYICSA-N 0 3 221.369 3.391 20 0 BGADHN CSc1ccc(CN2[C@@H](C)C[C@@H]2C)cc1 ZINC000525996872 388453604 /nfs/dbraw/zinc/45/36/04/388453604.db2.gz PLGWVDXVLYCZNB-QWRGUYRKSA-N 0 3 221.369 3.391 20 0 BGADHN C[C@@H]1C[C@@H](C)N1Cc1ccc(F)c2cccnc12 ZINC000525996904 388453969 /nfs/dbraw/zinc/45/39/69/388453969.db2.gz SYMLCXLJTYEBFY-GHMZBOCLSA-N 0 3 244.313 3.357 20 0 BGADHN C[C@@H]1C[C@H](C)N1Cc1ccc(F)c2cccnc12 ZINC000525996905 388453518 /nfs/dbraw/zinc/45/35/18/388453518.db2.gz SYMLCXLJTYEBFY-PHIMTYICSA-N 0 3 244.313 3.357 20 0 BGADHN C[C@H]1C[C@H](C)N1Cc1ccc(F)c2cccnc12 ZINC000525996906 384290138 /nfs/dbraw/zinc/29/01/38/384290138.db2.gz SYMLCXLJTYEBFY-QWRGUYRKSA-N 0 3 244.313 3.357 20 0 BGADHN C[C@H](CNCc1ncccc1F)c1ccccc1 ZINC000525997876 388453468 /nfs/dbraw/zinc/45/34/68/388453468.db2.gz JRBLMYGQAYNXSR-GFCCVEGCSA-N 0 3 244.313 3.114 20 0 BGADHN C[C@@H](CNCc1ncccc1F)c1ccccc1 ZINC000525997877 388453416 /nfs/dbraw/zinc/45/34/16/388453416.db2.gz JRBLMYGQAYNXSR-LBPRGKRZSA-N 0 3 244.313 3.114 20 0 BGADHN Fc1cccnc1CNC1CCC2(CC2)CC1 ZINC000525998133 388454319 /nfs/dbraw/zinc/45/43/19/388454319.db2.gz GNWOFCCZDJGHDZ-UHFFFAOYSA-N 0 3 234.318 3.033 20 0 BGADHN Fc1ccc2c(c1)[C@H](NCC1(F)CC1)CCC2 ZINC000525999828 388454222 /nfs/dbraw/zinc/45/42/22/388454222.db2.gz PVUCRPBAAGWOLW-CYBMUJFWSA-N 0 3 237.293 3.295 20 0 BGADHN Fc1ccc(CNCC2(C(F)F)CC2)c(F)c1 ZINC000526001791 388454287 /nfs/dbraw/zinc/45/42/87/388454287.db2.gz FZISFCFXGHMGTA-UHFFFAOYSA-N 0 3 247.235 3.100 20 0 BGADHN CCCNc1ccc(CNCC2(F)CC2)cc1 ZINC000526040821 322817738 /nfs/dbraw/zinc/81/77/38/322817738.db2.gz FXKNKHBQCIZNLN-UHFFFAOYSA-N 0 3 236.334 3.100 20 0 BGADHN CCc1ccccc1CN1CCSC[C@H]1C ZINC000526082604 323188019 /nfs/dbraw/zinc/18/80/19/323188019.db2.gz DEGBMWUWRMFENE-GFCCVEGCSA-N 0 3 235.396 3.186 20 0 BGADHN CCc1ccccc1CN1CCSC[C@@H]1C ZINC000526082605 323188055 /nfs/dbraw/zinc/18/80/55/323188055.db2.gz DEGBMWUWRMFENE-LBPRGKRZSA-N 0 3 235.396 3.186 20 0 BGADHN CCOCCN(CC)Cc1ccccc1CC ZINC000526082687 323188008 /nfs/dbraw/zinc/18/80/08/323188008.db2.gz WNILIGMFCIZBLM-UHFFFAOYSA-N 0 3 235.371 3.107 20 0 BGADHN CCc1ccccc1CN1C[C@@H](C)OC(C)(C)C1 ZINC000526083299 323188005 /nfs/dbraw/zinc/18/80/05/323188005.db2.gz BVFZGELJZKEKRZ-CYBMUJFWSA-N 0 3 247.382 3.248 20 0 BGADHN CCc1ccccc1CN1C[C@H](C)OC(C)(C)C1 ZINC000526083300 323187897 /nfs/dbraw/zinc/18/78/97/323187897.db2.gz BVFZGELJZKEKRZ-ZDUSSCGKSA-N 0 3 247.382 3.248 20 0 BGADHN CC(C)CCCN[C@@H]1COc2ccc(F)cc21 ZINC000526116690 387017770 /nfs/dbraw/zinc/01/77/70/387017770.db2.gz BZQDTFNHJDWUTE-CYBMUJFWSA-N 0 3 237.318 3.285 20 0 BGADHN CC(C)CCCN[C@H]1COc2ccc(F)cc21 ZINC000526116691 262789030 /nfs/dbraw/zinc/78/90/30/262789030.db2.gz BZQDTFNHJDWUTE-ZDUSSCGKSA-N 0 3 237.318 3.285 20 0 BGADHN CC1(C)CC(CNCc2c(F)cccc2F)C1 ZINC000526121251 356325132 /nfs/dbraw/zinc/32/51/32/356325132.db2.gz GXGBIEZJAPDXMK-UHFFFAOYSA-N 0 3 239.309 3.491 20 0 BGADHN CC(C)=CCN1CC2(CCCC2)OC(C)(C)C1 ZINC000526949979 386702842 /nfs/dbraw/zinc/70/28/42/386702842.db2.gz WSLJZLBMSFVZNZ-UHFFFAOYSA-N 0 3 237.387 3.376 20 0 BGADHN CCN(Cc1ccccc1C)CC1(F)CC1 ZINC000526969910 323308723 /nfs/dbraw/zinc/30/87/23/323308723.db2.gz OOZPRZPNDFGWOU-UHFFFAOYSA-N 0 3 221.319 3.319 20 0 BGADHN CCN(Cc1ccc(OC)cc1)CC1(F)CC1 ZINC000526970192 323309603 /nfs/dbraw/zinc/30/96/03/323309603.db2.gz ZNUXCMUMYNVZJL-UHFFFAOYSA-N 0 3 237.318 3.019 20 0 BGADHN FC1(CN2CCSC3(CCCCC3)C2)CC1 ZINC000526970388 386715430 /nfs/dbraw/zinc/71/54/30/386715430.db2.gz GFHKVSVPFPNIDZ-UHFFFAOYSA-N 0 3 243.391 3.240 20 0 BGADHN C[C@H](CN(C)CC1(F)CC1)c1ccccc1 ZINC000526970557 386713016 /nfs/dbraw/zinc/71/30/16/386713016.db2.gz IIKROONMVOQLKH-GFCCVEGCSA-N 0 3 221.319 3.224 20 0 BGADHN C[C@@H](CN(C)CC1(F)CC1)c1ccccc1 ZINC000526970558 386713969 /nfs/dbraw/zinc/71/39/69/386713969.db2.gz IIKROONMVOQLKH-LBPRGKRZSA-N 0 3 221.319 3.224 20 0 BGADHN FC1(CN2CCC[C@@H](Cc3ccccc3)C2)CC1 ZINC000526970708 386715036 /nfs/dbraw/zinc/71/50/36/386715036.db2.gz GUWOYTWINRAQQC-HNNXBMFYSA-N 0 3 247.357 3.443 20 0 BGADHN FC1(CN2CCC[C@H](Cc3ccccc3)C2)CC1 ZINC000526970709 386715056 /nfs/dbraw/zinc/71/50/56/386715056.db2.gz GUWOYTWINRAQQC-OAHLLOKOSA-N 0 3 247.357 3.443 20 0 BGADHN CCS[C@@H]1CCCCN(CC2(F)CC2)C1 ZINC000526971042 386715951 /nfs/dbraw/zinc/71/59/51/386715951.db2.gz PWWDQIHVUYHTKA-LLVKDONJSA-N 0 3 231.380 3.096 20 0 BGADHN CCS[C@H]1CCCCN(CC2(F)CC2)C1 ZINC000526971043 386714420 /nfs/dbraw/zinc/71/44/20/386714420.db2.gz PWWDQIHVUYHTKA-NSHDSACASA-N 0 3 231.380 3.096 20 0 BGADHN CN(CCC1CCCCC1)CC1(F)CC1 ZINC000526971220 386712865 /nfs/dbraw/zinc/71/28/65/386712865.db2.gz YWDBRMNNQICXON-UHFFFAOYSA-N 0 3 213.340 3.391 20 0 BGADHN C[C@H]1[C@H](c2ccccc2)CCN1CC1(F)CC1 ZINC000526971498 386715673 /nfs/dbraw/zinc/71/56/73/386715673.db2.gz KQISYJWIENGDQP-GXTWGEPZSA-N 0 3 233.330 3.367 20 0 BGADHN C[C@H]1[C@@H](c2ccccc2)CCN1CC1(F)CC1 ZINC000526971499 386715931 /nfs/dbraw/zinc/71/59/31/386715931.db2.gz KQISYJWIENGDQP-JSGCOSHPSA-N 0 3 233.330 3.367 20 0 BGADHN C[C@@H]1[C@@H](c2ccccc2)CCN1CC1(F)CC1 ZINC000526971501 386713201 /nfs/dbraw/zinc/71/32/01/386713201.db2.gz KQISYJWIENGDQP-OCCSQVGLSA-N 0 3 233.330 3.367 20 0 BGADHN C[C@@H]1[C@H](c2ccccc2)CCN1CC1(F)CC1 ZINC000526971503 386715914 /nfs/dbraw/zinc/71/59/14/386715914.db2.gz KQISYJWIENGDQP-TZMCWYRMSA-N 0 3 233.330 3.367 20 0 BGADHN CC(C)c1ccc(CCNCC2(F)CC2)cc1 ZINC000526973892 583931587 /nfs/dbraw/zinc/93/15/87/583931587.db2.gz WSISWXRUONETDS-UHFFFAOYSA-N 0 3 235.346 3.444 20 0 BGADHN CC(C)(CNCC1(F)CC1)c1cccc(F)c1 ZINC000526978056 386718144 /nfs/dbraw/zinc/71/81/44/386718144.db2.gz MWIYDLXCMPMRMT-UHFFFAOYSA-N 0 3 239.309 3.195 20 0 BGADHN FC1(CNCCCc2c[nH]c3ccccc23)CC1 ZINC000526978338 386718374 /nfs/dbraw/zinc/71/83/74/386718374.db2.gz RQSTVKKTMLAVKB-UHFFFAOYSA-N 0 3 246.329 3.192 20 0 BGADHN FC1(CNCc2ccc3ccccc3c2)CC1 ZINC000526978455 386718755 /nfs/dbraw/zinc/71/87/55/386718755.db2.gz FJXGUDRLCZTXGW-UHFFFAOYSA-N 0 3 229.298 3.432 20 0 BGADHN FC1(CNCCc2cccc3ccccc32)CC1 ZINC000526978797 386717439 /nfs/dbraw/zinc/71/74/39/386717439.db2.gz XDOVZODIIUMREY-UHFFFAOYSA-N 0 3 243.325 3.474 20 0 BGADHN Cc1[nH]c2ccc(CNCC3(F)CC3)cc2c1C ZINC000526980788 386721563 /nfs/dbraw/zinc/72/15/63/386721563.db2.gz WKYDNLDJBUPFNV-UHFFFAOYSA-N 0 3 246.329 3.376 20 0 BGADHN CC(C)C1(C)CCN(CC2(F)CC2)CC1 ZINC000526984394 386715300 /nfs/dbraw/zinc/71/53/00/386715300.db2.gz LXUJCMDWCNLESR-UHFFFAOYSA-N 0 3 213.340 3.247 20 0 BGADHN FC1(CNCC2(Cc3ccccc3)CC2)CC1 ZINC000526984457 386713161 /nfs/dbraw/zinc/71/31/61/386713161.db2.gz YMNKHZBPUNJMHY-UHFFFAOYSA-N 0 3 233.330 3.101 20 0 BGADHN Cc1ccccc1C[C@@H](C)N(C)CC1(F)CC1 ZINC000526988317 386725561 /nfs/dbraw/zinc/72/55/61/386725561.db2.gz MWQAQIXGJSVLPQ-CYBMUJFWSA-N 0 3 235.346 3.360 20 0 BGADHN Cc1ccccc1C[C@H](C)N(C)CC1(F)CC1 ZINC000526988318 386725869 /nfs/dbraw/zinc/72/58/69/386725869.db2.gz MWQAQIXGJSVLPQ-ZDUSSCGKSA-N 0 3 235.346 3.360 20 0 BGADHN CCOc1ccccc1CN1[C@@H](C)C[C@@H]1C ZINC000526989257 386725372 /nfs/dbraw/zinc/72/53/72/386725372.db2.gz AYHQZMBOBXVQKW-RYUDHWBXSA-N 0 3 219.328 3.068 20 0 BGADHN CCOc1ccccc1CN1[C@H](C)C[C@@H]1C ZINC000526989258 386724329 /nfs/dbraw/zinc/72/43/29/386724329.db2.gz AYHQZMBOBXVQKW-TXEJJXNPSA-N 0 3 219.328 3.068 20 0 BGADHN CCOc1ccccc1CN1[C@H](C)C[C@H]1C ZINC000526989259 386726791 /nfs/dbraw/zinc/72/67/91/386726791.db2.gz AYHQZMBOBXVQKW-VXGBXAGGSA-N 0 3 219.328 3.068 20 0 BGADHN C[C@H]1C[C@H](C)N1Cc1cccc2c1OC(C)(C)C2 ZINC000526989287 386726675 /nfs/dbraw/zinc/72/66/75/386726675.db2.gz FVVVHHNTMROZGG-RYUDHWBXSA-N 0 3 245.366 3.383 20 0 BGADHN C[C@@H]1C[C@H](C)N1Cc1cccc2c1OC(C)(C)C2 ZINC000526989288 386726492 /nfs/dbraw/zinc/72/64/92/386726492.db2.gz FVVVHHNTMROZGG-TXEJJXNPSA-N 0 3 245.366 3.383 20 0 BGADHN C[C@@H]1C[C@@H](C)N1Cc1cccc2c1OC(C)(C)C2 ZINC000526989289 386727719 /nfs/dbraw/zinc/72/77/19/386727719.db2.gz FVVVHHNTMROZGG-VXGBXAGGSA-N 0 3 245.366 3.383 20 0 BGADHN C[C@@H]1C[C@H](C)N1Cc1ccccc1OCC1CC1 ZINC000526989349 386727195 /nfs/dbraw/zinc/72/71/95/386727195.db2.gz PSTOQUDLDFCPAO-BETUJISGSA-N 0 3 245.366 3.458 20 0 BGADHN C[C@@H]1C[C@@H](C)N1Cc1ccccc1OCC1CC1 ZINC000526989350 262801517 /nfs/dbraw/zinc/80/15/17/262801517.db2.gz PSTOQUDLDFCPAO-CHWSQXEVSA-N 0 3 245.366 3.458 20 0 BGADHN C[C@H]1C[C@H](C)N1Cc1ccccc1OCC1CC1 ZINC000526989351 386727515 /nfs/dbraw/zinc/72/75/15/386727515.db2.gz PSTOQUDLDFCPAO-STQMWFEESA-N 0 3 245.366 3.458 20 0 BGADHN COc1ccc2oc(CN3[C@H](C)C[C@H]3C)cc2c1 ZINC000526989493 386727240 /nfs/dbraw/zinc/72/72/40/386727240.db2.gz LGDKDZWTLRDKBB-GHMZBOCLSA-N 0 3 245.322 3.424 20 0 BGADHN COc1ccc2oc(CN3[C@H](C)C[C@@H]3C)cc2c1 ZINC000526989494 386726867 /nfs/dbraw/zinc/72/68/67/386726867.db2.gz LGDKDZWTLRDKBB-PHIMTYICSA-N 0 3 245.322 3.424 20 0 BGADHN COc1ccc2oc(CN3[C@@H](C)C[C@@H]3C)cc2c1 ZINC000526989495 386727646 /nfs/dbraw/zinc/72/76/46/386727646.db2.gz LGDKDZWTLRDKBB-QWRGUYRKSA-N 0 3 245.322 3.424 20 0 BGADHN CCc1ccc(CN2[C@H](C)C[C@@H]2C)s1 ZINC000526989513 386727269 /nfs/dbraw/zinc/72/72/69/386727269.db2.gz MTGKANCAHGOMJX-AOOOYVTPSA-N 0 3 209.358 3.293 20 0 BGADHN CCc1ccc(CN2[C@H](C)C[C@H]2C)s1 ZINC000526989514 262801907 /nfs/dbraw/zinc/80/19/07/262801907.db2.gz MTGKANCAHGOMJX-NXEZZACHSA-N 0 3 209.358 3.293 20 0 BGADHN CCc1ccc(CN2[C@@H](C)C[C@@H]2C)s1 ZINC000526989515 386727765 /nfs/dbraw/zinc/72/77/65/386727765.db2.gz MTGKANCAHGOMJX-UWVGGRQHSA-N 0 3 209.358 3.293 20 0 BGADHN C[C@H]1C[C@H](C)N1Cc1ccc2c(c1)CC(C)(C)O2 ZINC000526989562 262802054 /nfs/dbraw/zinc/80/20/54/262802054.db2.gz QKDBYONHRBMDOL-RYUDHWBXSA-N 0 3 245.366 3.383 20 0 BGADHN C[C@@H]1C[C@H](C)N1Cc1ccc2c(c1)CC(C)(C)O2 ZINC000526989563 262801904 /nfs/dbraw/zinc/80/19/04/262801904.db2.gz QKDBYONHRBMDOL-TXEJJXNPSA-N 0 3 245.366 3.383 20 0 BGADHN C[C@@H]1C[C@@H](C)N1Cc1ccc2c(c1)CC(C)(C)O2 ZINC000526989564 386727324 /nfs/dbraw/zinc/72/73/24/386727324.db2.gz QKDBYONHRBMDOL-VXGBXAGGSA-N 0 3 245.366 3.383 20 0 BGADHN CCCOc1cccc(CN2[C@H](C)C[C@@H]2C)c1 ZINC000526989572 386726945 /nfs/dbraw/zinc/72/69/45/386726945.db2.gz RBOHTBMVFDJILN-BETUJISGSA-N 0 3 233.355 3.458 20 0 BGADHN CCCOc1cccc(CN2[C@H](C)C[C@H]2C)c1 ZINC000526989573 262801958 /nfs/dbraw/zinc/80/19/58/262801958.db2.gz RBOHTBMVFDJILN-CHWSQXEVSA-N 0 3 233.355 3.458 20 0 BGADHN CCCOc1cccc(CN2[C@@H](C)C[C@@H]2C)c1 ZINC000526989574 386726600 /nfs/dbraw/zinc/72/66/00/386726600.db2.gz RBOHTBMVFDJILN-STQMWFEESA-N 0 3 233.355 3.458 20 0 BGADHN C[C@H]1C[C@H](C)N1Cc1ccnc2ccccc12 ZINC000526989584 386726619 /nfs/dbraw/zinc/72/66/19/386726619.db2.gz SKZRQOPECLLSTA-RYUDHWBXSA-N 0 3 226.323 3.218 20 0 BGADHN C[C@@H]1C[C@H](C)N1Cc1ccnc2ccccc12 ZINC000526989585 386727085 /nfs/dbraw/zinc/72/70/85/386727085.db2.gz SKZRQOPECLLSTA-TXEJJXNPSA-N 0 3 226.323 3.218 20 0 BGADHN C[C@@H]1C[C@@H](C)N1Cc1ccnc2ccccc12 ZINC000526989586 386727028 /nfs/dbraw/zinc/72/70/28/386727028.db2.gz SKZRQOPECLLSTA-VXGBXAGGSA-N 0 3 226.323 3.218 20 0 BGADHN CC(C)Oc1ccc(CN2[C@H](C)C[C@@H]2C)cc1 ZINC000526989624 386726546 /nfs/dbraw/zinc/72/65/46/386726546.db2.gz ZBJZHBPCBOXJRD-BETUJISGSA-N 0 3 233.355 3.457 20 0 BGADHN CC(C)Oc1ccc(CN2[C@H](C)C[C@H]2C)cc1 ZINC000526989625 386727632 /nfs/dbraw/zinc/72/76/32/386727632.db2.gz ZBJZHBPCBOXJRD-CHWSQXEVSA-N 0 3 233.355 3.457 20 0 BGADHN CC(C)Oc1ccc(CN2[C@@H](C)C[C@@H]2C)cc1 ZINC000526989626 386726507 /nfs/dbraw/zinc/72/65/07/386726507.db2.gz ZBJZHBPCBOXJRD-STQMWFEESA-N 0 3 233.355 3.457 20 0 BGADHN Cc1cc(CN2[C@H](C)C[C@H]2C)ccc1F ZINC000526990322 386721230 /nfs/dbraw/zinc/72/12/30/386721230.db2.gz AGSHVLYHKDNPSF-GHMZBOCLSA-N 0 3 207.292 3.117 20 0 BGADHN Cc1cc(CN2[C@H](C)C[C@@H]2C)ccc1F ZINC000526990323 386721870 /nfs/dbraw/zinc/72/18/70/386721870.db2.gz AGSHVLYHKDNPSF-PHIMTYICSA-N 0 3 207.292 3.117 20 0 BGADHN Cc1cc(CN2[C@@H](C)C[C@@H]2C)ccc1F ZINC000526990324 386721356 /nfs/dbraw/zinc/72/13/56/386721356.db2.gz AGSHVLYHKDNPSF-QWRGUYRKSA-N 0 3 207.292 3.117 20 0 BGADHN C[C@H]1CC(C)(C)C[C@H]1NCc1ncccc1F ZINC000526991184 386720446 /nfs/dbraw/zinc/72/04/46/386720446.db2.gz OSIXHEKPTQGQNZ-CMPLNLGQSA-N 0 3 236.334 3.135 20 0 BGADHN C[C@H]1CC(C)(C)C[C@@H]1NCc1ncccc1F ZINC000526991185 386721989 /nfs/dbraw/zinc/72/19/89/386721989.db2.gz OSIXHEKPTQGQNZ-JQWIXIFHSA-N 0 3 236.334 3.135 20 0 BGADHN C[C@@H]1CC(C)(C)C[C@@H]1NCc1ncccc1F ZINC000526991186 386722527 /nfs/dbraw/zinc/72/25/27/386722527.db2.gz OSIXHEKPTQGQNZ-PWSUYJOCSA-N 0 3 236.334 3.135 20 0 BGADHN C[C@@H]1CC(C)(C)C[C@H]1NCc1ncccc1F ZINC000526991187 386720858 /nfs/dbraw/zinc/72/08/58/386720858.db2.gz OSIXHEKPTQGQNZ-ZYHUDNBSSA-N 0 3 236.334 3.135 20 0 BGADHN CCn1ccnc1CNCC1(C)CCC(C)CC1 ZINC000526991499 386721765 /nfs/dbraw/zinc/72/17/65/386721765.db2.gz NBGHTSUHJDXQNH-UHFFFAOYSA-N 0 3 249.402 3.209 20 0 BGADHN Cc1c([C@@H](C)NC2(C3CC3)CC2)cnn1C(C)C ZINC000527041855 386758013 /nfs/dbraw/zinc/75/80/13/386758013.db2.gz FGZHVGIJKIKOFD-LLVKDONJSA-N 0 3 247.386 3.366 20 0 BGADHN Cc1c([C@H](C)NC2(C3CC3)CC2)cnn1C(C)C ZINC000527041856 386757581 /nfs/dbraw/zinc/75/75/81/386757581.db2.gz FGZHVGIJKIKOFD-NSHDSACASA-N 0 3 247.386 3.366 20 0 BGADHN CCC1(CC)CCCN(Cc2ccno2)CC1 ZINC000527049354 262804323 /nfs/dbraw/zinc/80/43/23/262804323.db2.gz RKZLNVGQCMOWTF-UHFFFAOYSA-N 0 3 236.359 3.467 20 0 BGADHN CCc1ccccc1CN1C[C@H](C)O[C@@H](CC)C1 ZINC000527074196 386774904 /nfs/dbraw/zinc/77/49/04/386774904.db2.gz HRCVULSWXLTPKM-BBRMVZONSA-N 0 3 247.382 3.248 20 0 BGADHN CCc1ccccc1CN1C[C@@H](C)O[C@@H](CC)C1 ZINC000527074197 386774887 /nfs/dbraw/zinc/77/48/87/386774887.db2.gz HRCVULSWXLTPKM-CJNGLKHVSA-N 0 3 247.382 3.248 20 0 BGADHN CCc1ccccc1CN1C[C@@H](C)O[C@H](CC)C1 ZINC000527074198 386774866 /nfs/dbraw/zinc/77/48/66/386774866.db2.gz HRCVULSWXLTPKM-CZUORRHYSA-N 0 3 247.382 3.248 20 0 BGADHN CCc1ccccc1CN1C[C@@H](CC)O[C@@H](C)C1 ZINC000527074199 386774791 /nfs/dbraw/zinc/77/47/91/386774791.db2.gz HRCVULSWXLTPKM-XJKSGUPXSA-N 0 3 247.382 3.248 20 0 BGADHN CCc1ccccc1CN1C[C@H](C)OC[C@@H]1CC ZINC000527074345 386776100 /nfs/dbraw/zinc/77/61/00/386776100.db2.gz GALUWYHRPRSXTI-BBRMVZONSA-N 0 3 247.382 3.248 20 0 BGADHN CCc1ccccc1CN1C[C@@H](C)OC[C@@H]1CC ZINC000527074346 386774287 /nfs/dbraw/zinc/77/42/87/386774287.db2.gz GALUWYHRPRSXTI-CJNGLKHVSA-N 0 3 247.382 3.248 20 0 BGADHN CCc1ccccc1CN1C[C@@H](C)OC[C@H]1CC ZINC000527074347 386776044 /nfs/dbraw/zinc/77/60/44/386776044.db2.gz GALUWYHRPRSXTI-CZUORRHYSA-N 0 3 247.382 3.248 20 0 BGADHN CCc1ccccc1CN1C[C@H](C)OC[C@H]1CC ZINC000527074348 262806008 /nfs/dbraw/zinc/80/60/08/262806008.db2.gz GALUWYHRPRSXTI-XJKSGUPXSA-N 0 3 247.382 3.248 20 0 BGADHN CC[C@@H](NC1(COC)CC1)c1cccc(F)c1 ZINC000527110247 398114226 /nfs/dbraw/zinc/11/42/26/398114226.db2.gz WLOSVBGBTAKTKB-CYBMUJFWSA-N 0 3 237.318 3.045 20 0 BGADHN CC[C@H](NC1(COC)CC1)c1cccc(F)c1 ZINC000527110248 398114151 /nfs/dbraw/zinc/11/41/51/398114151.db2.gz WLOSVBGBTAKTKB-ZDUSSCGKSA-N 0 3 237.318 3.045 20 0 BGADHN FC1(CN2CCC(Cc3ccccc3)CC2)CC1 ZINC000527218149 387539108 /nfs/dbraw/zinc/53/91/08/387539108.db2.gz KUARJHWTNJIRKF-UHFFFAOYSA-N 0 3 247.357 3.443 20 0 BGADHN FC1(CN2CCC[C@H]2Cc2ccccc2)CC1 ZINC000527218480 387539878 /nfs/dbraw/zinc/53/98/78/387539878.db2.gz VAWDZCVYMSHKEG-AWEZNQCLSA-N 0 3 233.330 3.196 20 0 BGADHN FC1(CN2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000527218483 262833970 /nfs/dbraw/zinc/83/39/70/262833970.db2.gz VAWDZCVYMSHKEG-CQSZACIVSA-N 0 3 233.330 3.196 20 0 BGADHN FC1(CN2CCC[C@H]2c2cccs2)CC1 ZINC000527218701 387538511 /nfs/dbraw/zinc/53/85/11/387538511.db2.gz AIBBJVFRJHIFNZ-JTQLQIEISA-N 0 3 225.332 3.387 20 0 BGADHN FC1(CN2CCC[C@@H]2c2cccs2)CC1 ZINC000527218702 387538205 /nfs/dbraw/zinc/53/82/05/387538205.db2.gz AIBBJVFRJHIFNZ-SNVBAGLBSA-N 0 3 225.332 3.387 20 0 BGADHN CC(C)n1nccc1CN(C1CC1)C1CCCC1 ZINC000527218787 387537807 /nfs/dbraw/zinc/53/78/07/387537807.db2.gz OKOSNCGMSLAMJZ-UHFFFAOYSA-N 0 3 247.386 3.371 20 0 BGADHN CCc1cccc(F)c1CN1CCC1(C)C ZINC000527219168 387539777 /nfs/dbraw/zinc/53/97/77/387539777.db2.gz MGSBUKFYSRACEX-UHFFFAOYSA-N 0 3 221.319 3.372 20 0 BGADHN Cc1ccccc1[C@@H]1CCN(CC2(F)CC2)C1 ZINC000527219651 387542232 /nfs/dbraw/zinc/54/22/32/387542232.db2.gz PPLFFRBSIMHAFO-CYBMUJFWSA-N 0 3 233.330 3.286 20 0 BGADHN Cc1ccccc1[C@H]1CCN(CC2(F)CC2)C1 ZINC000527219652 387542124 /nfs/dbraw/zinc/54/21/24/387542124.db2.gz PPLFFRBSIMHAFO-ZDUSSCGKSA-N 0 3 233.330 3.286 20 0 BGADHN CC(C)(C)C1=CCN(CC2(F)CC2)CC1 ZINC000527221618 387536429 /nfs/dbraw/zinc/53/64/29/387536429.db2.gz IVRIQCAGQMDOEE-UHFFFAOYSA-N 0 3 211.324 3.167 20 0 BGADHN FC1(CNCC2(c3ccccc3)CCC2)CC1 ZINC000527222448 387536847 /nfs/dbraw/zinc/53/68/47/387536847.db2.gz UDQJUJVZSZZBIS-UHFFFAOYSA-N 0 3 233.330 3.200 20 0 BGADHN CC(C)Oc1ccc(CNCC2(F)CC2)cc1 ZINC000527222468 387536407 /nfs/dbraw/zinc/53/64/07/387536407.db2.gz XQUBRNHNMRPNKY-UHFFFAOYSA-N 0 3 237.318 3.066 20 0 BGADHN Cc1ccc(C(C)(C)CNCC2(F)CC2)cc1 ZINC000527227616 387541728 /nfs/dbraw/zinc/54/17/28/387541728.db2.gz HMAXOEORANMLJE-UHFFFAOYSA-N 0 3 235.346 3.364 20 0 BGADHN Cc1ccccc1C(C)(C)CNCC1(F)CC1 ZINC000527228844 387541631 /nfs/dbraw/zinc/54/16/31/387541631.db2.gz COOZMBSJEIKILV-UHFFFAOYSA-N 0 3 235.346 3.364 20 0 BGADHN Cc1cc(CN[C@H](C)C2CCCCCC2)no1 ZINC000527229441 387542280 /nfs/dbraw/zinc/54/22/80/387542280.db2.gz WBPZDANCQUAINW-GFCCVEGCSA-N 0 3 236.359 3.432 20 0 BGADHN Cc1cc(CN[C@@H](C)C2CCCCCC2)no1 ZINC000527229442 262833475 /nfs/dbraw/zinc/83/34/75/262833475.db2.gz WBPZDANCQUAINW-LBPRGKRZSA-N 0 3 236.359 3.432 20 0 BGADHN C[C@@]1(CNCC2(F)CC2)CCCc2ccccc21 ZINC000527233351 387543653 /nfs/dbraw/zinc/54/36/53/387543653.db2.gz BPFFKEGYVHWHJE-HNNXBMFYSA-N 0 3 247.357 3.372 20 0 BGADHN C[C@]1(CNCC2(F)CC2)CCCc2ccccc21 ZINC000527233352 387543593 /nfs/dbraw/zinc/54/35/93/387543593.db2.gz BPFFKEGYVHWHJE-OAHLLOKOSA-N 0 3 247.357 3.372 20 0 BGADHN Cc1ccc([C@@]2(C)CCN(CC3(F)CC3)C2)cc1 ZINC000527237067 387545733 /nfs/dbraw/zinc/54/57/33/387545733.db2.gz BYKHNHZTZOEQPB-HNNXBMFYSA-N 0 3 247.357 3.461 20 0 BGADHN Cc1ccc([C@]2(C)CCN(CC3(F)CC3)C2)cc1 ZINC000527237077 387546639 /nfs/dbraw/zinc/54/66/39/387546639.db2.gz BYKHNHZTZOEQPB-OAHLLOKOSA-N 0 3 247.357 3.461 20 0 BGADHN C[C@H](NCC1(F)CC1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000527238019 262835270 /nfs/dbraw/zinc/83/52/70/262835270.db2.gz PZLDVQHRJDLDCJ-COPLHBTASA-N 0 3 249.329 3.031 20 0 BGADHN C[C@H](NCC1(F)CC1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000527238020 387546649 /nfs/dbraw/zinc/54/66/49/387546649.db2.gz PZLDVQHRJDLDCJ-MJVIPROJSA-N 0 3 249.329 3.031 20 0 BGADHN C[C@H](NCC1(F)CC1)[C@H]1Oc2ccccc2[C@H]1C ZINC000527238021 387545586 /nfs/dbraw/zinc/54/55/86/387545586.db2.gz PZLDVQHRJDLDCJ-SUNKGSAMSA-N 0 3 249.329 3.031 20 0 BGADHN C[C@H](NCC1(F)CC1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000527238023 387546246 /nfs/dbraw/zinc/54/62/46/387546246.db2.gz PZLDVQHRJDLDCJ-UHIISALHSA-N 0 3 249.329 3.031 20 0 BGADHN C[C@H](CNCC1(F)CC1)c1ccc(F)cc1F ZINC000527238028 387545295 /nfs/dbraw/zinc/54/52/95/387545295.db2.gz HDALGOVQNZNDBE-SECBINFHSA-N 0 3 243.272 3.160 20 0 BGADHN C[C@@H](CNCC1(F)CC1)c1ccc(F)cc1F ZINC000527238029 387546596 /nfs/dbraw/zinc/54/65/96/387546596.db2.gz HDALGOVQNZNDBE-VIFPVBQESA-N 0 3 243.272 3.160 20 0 BGADHN CCO[C@H]1C[C@@H](NCC2(F)CC2)C1(CC)CC ZINC000527238238 387545455 /nfs/dbraw/zinc/54/54/55/387545455.db2.gz HILYTKZYIJHXBR-NEPJUHHUSA-N 0 3 243.366 3.062 20 0 BGADHN CCO[C@@H]1C[C@H](NCC2(F)CC2)C1(CC)CC ZINC000527238239 387546573 /nfs/dbraw/zinc/54/65/73/387546573.db2.gz HILYTKZYIJHXBR-NWDGAFQWSA-N 0 3 243.366 3.062 20 0 BGADHN CCO[C@H]1C[C@H](NCC2(F)CC2)C1(CC)CC ZINC000527238240 387545909 /nfs/dbraw/zinc/54/59/09/387545909.db2.gz HILYTKZYIJHXBR-RYUDHWBXSA-N 0 3 243.366 3.062 20 0 BGADHN CCO[C@@H]1C[C@@H](NCC2(F)CC2)C1(CC)CC ZINC000527238241 387546719 /nfs/dbraw/zinc/54/67/19/387546719.db2.gz HILYTKZYIJHXBR-VXGBXAGGSA-N 0 3 243.366 3.062 20 0 BGADHN Cc1cc(C)c(CCNCC2(F)CC2)c(C)c1 ZINC000527238255 387545832 /nfs/dbraw/zinc/54/58/32/387545832.db2.gz JKBIRPBPUILVRP-UHFFFAOYSA-N 0 3 235.346 3.246 20 0 BGADHN CCCOc1ccc(CN2[C@H](C)C[C@@H]2C)cc1 ZINC000527238400 387545982 /nfs/dbraw/zinc/54/59/82/387545982.db2.gz BYMWNDYHMKGXQB-BETUJISGSA-N 0 3 233.355 3.458 20 0 BGADHN Cc1ccc(F)c(CN2[C@H](C)C[C@H]2C)c1 ZINC000527238404 387545614 /nfs/dbraw/zinc/54/56/14/387545614.db2.gz BDOCGWCQTRGYTB-GHMZBOCLSA-N 0 3 207.292 3.117 20 0 BGADHN CCCOc1ccc(CN2[C@H](C)C[C@H]2C)cc1 ZINC000527238405 387545723 /nfs/dbraw/zinc/54/57/23/387545723.db2.gz BYMWNDYHMKGXQB-CHWSQXEVSA-N 0 3 233.355 3.458 20 0 BGADHN CCCOc1ccc(CN2[C@@H](C)C[C@@H]2C)cc1 ZINC000527238406 387545403 /nfs/dbraw/zinc/54/54/03/387545403.db2.gz BYMWNDYHMKGXQB-STQMWFEESA-N 0 3 233.355 3.458 20 0 BGADHN Cc1ccc(F)c(CN2[C@H](C)C[C@@H]2C)c1 ZINC000527238409 387545155 /nfs/dbraw/zinc/54/51/55/387545155.db2.gz BDOCGWCQTRGYTB-PHIMTYICSA-N 0 3 207.292 3.117 20 0 BGADHN Cc1ccc(F)c(CN2[C@@H](C)C[C@@H]2C)c1 ZINC000527238410 387545607 /nfs/dbraw/zinc/54/56/07/387545607.db2.gz BDOCGWCQTRGYTB-QWRGUYRKSA-N 0 3 207.292 3.117 20 0 BGADHN COc1ccccc1/C=C/CN1[C@H](C)C[C@@H]1C ZINC000527238522 387545503 /nfs/dbraw/zinc/54/55/03/387545503.db2.gz GGSFZOUZAXPEFU-UMJOLFIYSA-N 0 3 231.339 3.191 20 0 BGADHN COc1ccccc1/C=C\CN1[C@H](C)C[C@H]1C ZINC000527238525 387545173 /nfs/dbraw/zinc/54/51/73/387545173.db2.gz GGSFZOUZAXPEFU-YVNFWLBFSA-N 0 3 231.339 3.191 20 0 BGADHN COc1ccccc1/C=C/CN1[C@H](C)C[C@H]1C ZINC000527238527 387546549 /nfs/dbraw/zinc/54/65/49/387546549.db2.gz GGSFZOUZAXPEFU-ZYARKTQMSA-N 0 3 231.339 3.191 20 0 BGADHN COc1ccccc1/C=C\CN1[C@H](C)C[C@@H]1C ZINC000527238528 387546139 /nfs/dbraw/zinc/54/61/39/387546139.db2.gz GGSFZOUZAXPEFU-ZZSKPALWSA-N 0 3 231.339 3.191 20 0 BGADHN CCOc1cc(CN2[C@@H](C)C[C@@H]2C)ccc1OC ZINC000527238620 387548631 /nfs/dbraw/zinc/54/86/31/387548631.db2.gz MXWOMVSADOJYDB-RYUDHWBXSA-N 0 3 249.354 3.077 20 0 BGADHN CCOc1cc(CN2[C@H](C)C[C@@H]2C)ccc1OC ZINC000527238621 387547998 /nfs/dbraw/zinc/54/79/98/387547998.db2.gz MXWOMVSADOJYDB-TXEJJXNPSA-N 0 3 249.354 3.077 20 0 BGADHN CCOc1cc(CN2[C@H](C)C[C@H]2C)ccc1OC ZINC000527238622 387548488 /nfs/dbraw/zinc/54/84/88/387548488.db2.gz MXWOMVSADOJYDB-VXGBXAGGSA-N 0 3 249.354 3.077 20 0 BGADHN C[C@@H]1C[C@@H](C)N1C/C=C/c1ccc(F)cc1 ZINC000527238638 387548254 /nfs/dbraw/zinc/54/82/54/387548254.db2.gz OAKLEQDPYHTJPJ-BLDJZWNYSA-N 0 3 219.303 3.322 20 0 BGADHN C[C@@H]1C[C@@H](C)N1C/C=C\c1ccc(F)cc1 ZINC000527238639 387547376 /nfs/dbraw/zinc/54/73/76/387547376.db2.gz OAKLEQDPYHTJPJ-OPVGQWETSA-N 0 3 219.303 3.322 20 0 BGADHN C[C@@H]1C[C@H](C)N1C/C=C/c1ccc(F)cc1 ZINC000527238640 387548174 /nfs/dbraw/zinc/54/81/74/387548174.db2.gz OAKLEQDPYHTJPJ-ROUHBEFFSA-N 0 3 219.303 3.322 20 0 BGADHN C[C@@H]1C[C@H](C)N1C/C=C\c1ccc(F)cc1 ZINC000527238641 387548009 /nfs/dbraw/zinc/54/80/09/387548009.db2.gz OAKLEQDPYHTJPJ-XVGAQQEPSA-N 0 3 219.303 3.322 20 0 BGADHN CCc1cccc(F)c1CN1[C@H](C)C[C@H]1C ZINC000527238766 387548203 /nfs/dbraw/zinc/54/82/03/387548203.db2.gz SUPRVGKFLUNPAS-GHMZBOCLSA-N 0 3 221.319 3.371 20 0 BGADHN CCc1cccc(F)c1CN1[C@H](C)C[C@@H]1C ZINC000527238768 387547642 /nfs/dbraw/zinc/54/76/42/387547642.db2.gz SUPRVGKFLUNPAS-PHIMTYICSA-N 0 3 221.319 3.371 20 0 BGADHN CCc1cccc(F)c1CN1[C@@H](C)C[C@@H]1C ZINC000527238769 387548716 /nfs/dbraw/zinc/54/87/16/387548716.db2.gz SUPRVGKFLUNPAS-QWRGUYRKSA-N 0 3 221.319 3.371 20 0 BGADHN CCOc1cccc(CN2[C@@H](C)C[C@@H]2C)c1 ZINC000527238838 387547744 /nfs/dbraw/zinc/54/77/44/387547744.db2.gz YTGRLLRWNVEATH-RYUDHWBXSA-N 0 3 219.328 3.068 20 0 BGADHN CCOc1cccc(CN2[C@H](C)C[C@@H]2C)c1 ZINC000527238839 387547891 /nfs/dbraw/zinc/54/78/91/387547891.db2.gz YTGRLLRWNVEATH-TXEJJXNPSA-N 0 3 219.328 3.068 20 0 BGADHN CCOc1cccc(CN2[C@H](C)C[C@H]2C)c1 ZINC000527238840 262836118 /nfs/dbraw/zinc/83/61/18/262836118.db2.gz YTGRLLRWNVEATH-VXGBXAGGSA-N 0 3 219.328 3.068 20 0 BGADHN CCOc1ccc(CN2[C@@H](C)C[C@@H]2C)cc1OC ZINC000527239181 262836056 /nfs/dbraw/zinc/83/60/56/262836056.db2.gz PLOBEFUFSYNQJG-RYUDHWBXSA-N 0 3 249.354 3.077 20 0 BGADHN CCOc1ccc(CN2[C@H](C)C[C@@H]2C)cc1OC ZINC000527239182 387547751 /nfs/dbraw/zinc/54/77/51/387547751.db2.gz PLOBEFUFSYNQJG-TXEJJXNPSA-N 0 3 249.354 3.077 20 0 BGADHN CCOc1ccc(CN2[C@H](C)C[C@H]2C)cc1OC ZINC000527239183 387547673 /nfs/dbraw/zinc/54/76/73/387547673.db2.gz PLOBEFUFSYNQJG-VXGBXAGGSA-N 0 3 249.354 3.077 20 0 BGADHN C[C@H]1C[C@H](C)N1Cc1cnc(-c2ccccc2)[nH]1 ZINC000527239337 387547255 /nfs/dbraw/zinc/54/72/55/387547255.db2.gz WFEOUNXRSRTGAC-RYUDHWBXSA-N 0 3 241.338 3.059 20 0 BGADHN C[C@@H]1C[C@H](C)N1Cc1cnc(-c2ccccc2)[nH]1 ZINC000527239340 387547137 /nfs/dbraw/zinc/54/71/37/387547137.db2.gz WFEOUNXRSRTGAC-TXEJJXNPSA-N 0 3 241.338 3.059 20 0 BGADHN C[C@@H]1C[C@@H](C)N1Cc1cnc(-c2ccccc2)[nH]1 ZINC000527239342 387548677 /nfs/dbraw/zinc/54/86/77/387548677.db2.gz WFEOUNXRSRTGAC-VXGBXAGGSA-N 0 3 241.338 3.059 20 0 BGADHN Fc1ccc2c(c1)[C@@H](NCC1(F)CC1)CCC2 ZINC000527241687 387547599 /nfs/dbraw/zinc/54/75/99/387547599.db2.gz PVUCRPBAAGWOLW-ZDUSSCGKSA-N 0 3 237.293 3.295 20 0 BGADHN Fc1cccc(CNCC2(C(F)F)CC2)c1F ZINC000527243601 387543622 /nfs/dbraw/zinc/54/36/22/387543622.db2.gz UKTKNOFDMPFCNA-UHFFFAOYSA-N 0 3 247.235 3.100 20 0 BGADHN Cc1oncc1CN(C)C[C@@H](C)c1ccccc1 ZINC000527324768 387022929 /nfs/dbraw/zinc/02/29/29/387022929.db2.gz QATMPXYIVQZFLB-GFCCVEGCSA-N 0 3 244.338 3.219 20 0 BGADHN Cc1oncc1CN(C)C[C@H](C)c1ccccc1 ZINC000527324769 387022508 /nfs/dbraw/zinc/02/25/08/387022508.db2.gz QATMPXYIVQZFLB-LBPRGKRZSA-N 0 3 244.338 3.219 20 0 BGADHN C[C@H](NCC1CC(C)(C)C1)c1ccc(F)cn1 ZINC000527349910 387054965 /nfs/dbraw/zinc/05/49/65/387054965.db2.gz FPEMEYQFMDIADL-JTQLQIEISA-N 0 3 236.334 3.308 20 0 BGADHN C[C@@H](NCC1CC(C)(C)C1)c1ccc(F)cn1 ZINC000527349911 387054899 /nfs/dbraw/zinc/05/48/99/387054899.db2.gz FPEMEYQFMDIADL-SNVBAGLBSA-N 0 3 236.334 3.308 20 0 BGADHN CC(C)CCCN(C)Cc1cccc(O)c1 ZINC000527356031 323197823 /nfs/dbraw/zinc/19/78/23/323197823.db2.gz SFXIKXRLYWHFND-UHFFFAOYSA-N 0 3 221.344 3.260 20 0 BGADHN CC(C)(C)CCN[C@@H]1COc2ccc(F)cc21 ZINC000527358692 386422429 /nfs/dbraw/zinc/42/24/29/386422429.db2.gz PORFJTVAMNUZDS-GFCCVEGCSA-N 0 3 237.318 3.285 20 0 BGADHN CC(C)(C)CCN[C@H]1COc2ccc(F)cc21 ZINC000527358693 386422798 /nfs/dbraw/zinc/42/27/98/386422798.db2.gz PORFJTVAMNUZDS-LBPRGKRZSA-N 0 3 237.318 3.285 20 0 BGADHN Cc1ccc2c(c1)[C@H](NCCC(C)(C)C)CO2 ZINC000527361194 386423246 /nfs/dbraw/zinc/42/32/46/386423246.db2.gz TXOKESNIUGXXEW-CYBMUJFWSA-N 0 3 233.355 3.454 20 0 BGADHN Cc1ccc2c(c1)[C@@H](NCCC(C)(C)C)CO2 ZINC000527361195 262776868 /nfs/dbraw/zinc/77/68/68/262776868.db2.gz TXOKESNIUGXXEW-ZDUSSCGKSA-N 0 3 233.355 3.454 20 0 BGADHN CN(CC1(F)CC1)[C@H]1CCCc2ccccc21 ZINC000527509147 387586931 /nfs/dbraw/zinc/58/69/31/387586931.db2.gz OOEGSDRACLDENT-AWEZNQCLSA-N 0 3 233.330 3.498 20 0 BGADHN CN(CC1(F)CC1)[C@@H]1CCCc2ccccc21 ZINC000527509148 387587443 /nfs/dbraw/zinc/58/74/43/387587443.db2.gz OOEGSDRACLDENT-CQSZACIVSA-N 0 3 233.330 3.498 20 0 BGADHN CC(C)n1nccc1CN(C)[C@H](C)C(C)(C)C ZINC000527509363 262849736 /nfs/dbraw/zinc/84/97/36/262849736.db2.gz VTXJVNFXHINQFX-GFCCVEGCSA-N 0 3 237.391 3.330 20 0 BGADHN CC(C)n1nccc1CN(C)[C@@H](C)C(C)(C)C ZINC000527509364 387586647 /nfs/dbraw/zinc/58/66/47/387586647.db2.gz VTXJVNFXHINQFX-LBPRGKRZSA-N 0 3 237.391 3.330 20 0 BGADHN CCN(CCc1ccccc1)CC1(F)CC1 ZINC000527509621 387587997 /nfs/dbraw/zinc/58/79/97/387587997.db2.gz IPYOUOHSDILVFK-UHFFFAOYSA-N 0 3 221.319 3.053 20 0 BGADHN COc1ccc([C@@H]2CCCN2CC2(F)CC2)cc1 ZINC000527509659 387587115 /nfs/dbraw/zinc/58/71/15/387587115.db2.gz PYNXRDZIHAIZLH-AWEZNQCLSA-N 0 3 249.329 3.334 20 0 BGADHN COc1ccc([C@H]2CCCN2CC2(F)CC2)cc1 ZINC000527509660 387588014 /nfs/dbraw/zinc/58/80/14/387588014.db2.gz PYNXRDZIHAIZLH-CQSZACIVSA-N 0 3 249.329 3.334 20 0 BGADHN CCN(Cc1ccccc1)CC1(F)CC1 ZINC000527509733 387587245 /nfs/dbraw/zinc/58/72/45/387587245.db2.gz ASNAQEGKEDTVFY-UHFFFAOYSA-N 0 3 207.292 3.011 20 0 BGADHN FC1(CN2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000527510030 387587494 /nfs/dbraw/zinc/58/74/94/387587494.db2.gz YFSHXGJAHCTFLO-AWEZNQCLSA-N 0 3 233.330 3.053 20 0 BGADHN FC1(CN2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000527510031 387586597 /nfs/dbraw/zinc/58/65/97/387586597.db2.gz YFSHXGJAHCTFLO-CQSZACIVSA-N 0 3 233.330 3.053 20 0 BGADHN CN(CCCCc1ccccc1)CC1(F)CC1 ZINC000527510055 387586899 /nfs/dbraw/zinc/58/68/99/387586899.db2.gz DPMZNAHHBUFKJJ-UHFFFAOYSA-N 0 3 235.346 3.443 20 0 BGADHN COc1cccc([C@@H]2CCCN2CC2(F)CC2)c1 ZINC000527510123 387588603 /nfs/dbraw/zinc/58/86/03/387588603.db2.gz PUHBZAQDPMMRIQ-AWEZNQCLSA-N 0 3 249.329 3.334 20 0 BGADHN COc1cccc([C@H]2CCCN2CC2(F)CC2)c1 ZINC000527510124 387588593 /nfs/dbraw/zinc/58/85/93/387588593.db2.gz PUHBZAQDPMMRIQ-CQSZACIVSA-N 0 3 249.329 3.334 20 0 BGADHN CC(C)CCOC1CCN(CC2(F)CC2)CC1 ZINC000527510176 387588692 /nfs/dbraw/zinc/58/86/92/387588692.db2.gz YESOWNJFGHZWAG-UHFFFAOYSA-N 0 3 243.366 3.016 20 0 BGADHN CC(C)N(Cc1ccnn1C(C)C)CC1CC1 ZINC000527510257 398170168 /nfs/dbraw/zinc/17/01/68/398170168.db2.gz KOWSBJSBISVVRI-UHFFFAOYSA-N 0 3 235.375 3.084 20 0 BGADHN CCN(Cc1ccc(C)cc1)CC1(F)CC1 ZINC000527510303 398170268 /nfs/dbraw/zinc/17/02/68/398170268.db2.gz RIATYXVKXLFCCR-UHFFFAOYSA-N 0 3 221.319 3.319 20 0 BGADHN CN(CCCc1ccccc1)CC1(F)CC1 ZINC000527510649 387589317 /nfs/dbraw/zinc/58/93/17/387589317.db2.gz YBKUHIDAEHJCPJ-UHFFFAOYSA-N 0 3 221.319 3.053 20 0 BGADHN CCC[C@]1(C)CCCN(CC2(F)CC2)C1 ZINC000527510684 387590666 /nfs/dbraw/zinc/59/06/66/387590666.db2.gz IQFGLLYSSSNSMH-GFCCVEGCSA-N 0 3 213.340 3.391 20 0 BGADHN CCC[C@@]1(C)CCCN(CC2(F)CC2)C1 ZINC000527510685 387591252 /nfs/dbraw/zinc/59/12/52/387591252.db2.gz IQFGLLYSSSNSMH-LBPRGKRZSA-N 0 3 213.340 3.391 20 0 BGADHN CC(C)C[C@H]1CCCN(CC2(F)CC2)C1 ZINC000527510699 387589922 /nfs/dbraw/zinc/58/99/22/387589922.db2.gz LHQVGKNECCYOBU-GFCCVEGCSA-N 0 3 213.340 3.247 20 0 BGADHN CC(C)C[C@@H]1CCCN(CC2(F)CC2)C1 ZINC000527510700 387590991 /nfs/dbraw/zinc/59/09/91/387590991.db2.gz LHQVGKNECCYOBU-LBPRGKRZSA-N 0 3 213.340 3.247 20 0 BGADHN FC1(CN2CCC[C@H](Nc3ccccc3)C2)CC1 ZINC000527510911 387590815 /nfs/dbraw/zinc/59/08/15/387590815.db2.gz UZYHAETUMZZLFM-AWEZNQCLSA-N 0 3 248.345 3.065 20 0 BGADHN FC1(CN2CCC[C@@H](Nc3ccccc3)C2)CC1 ZINC000527510912 387590789 /nfs/dbraw/zinc/59/07/89/387590789.db2.gz UZYHAETUMZZLFM-CQSZACIVSA-N 0 3 248.345 3.065 20 0 BGADHN C[C@]1(c2ccccc2)CCN(CC2(F)CC2)C1 ZINC000527510948 387589403 /nfs/dbraw/zinc/58/94/03/387589403.db2.gz ZPIGKJYKZQTIGE-AWEZNQCLSA-N 0 3 233.330 3.152 20 0 BGADHN C[C@@]1(c2ccccc2)CCN(CC2(F)CC2)C1 ZINC000527510949 387589639 /nfs/dbraw/zinc/58/96/39/387589639.db2.gz ZPIGKJYKZQTIGE-CQSZACIVSA-N 0 3 233.330 3.152 20 0 BGADHN CCS[C@@H]1CC[C@@H](N(C)CC2(F)CC2)C1 ZINC000527511114 387590314 /nfs/dbraw/zinc/59/03/14/387590314.db2.gz BTTSRMRSYIQLBA-GHMZBOCLSA-N 0 3 231.380 3.095 20 0 BGADHN CCS[C@H]1CC[C@@H](N(C)CC2(F)CC2)C1 ZINC000527511115 387589688 /nfs/dbraw/zinc/58/96/88/387589688.db2.gz BTTSRMRSYIQLBA-MNOVXSKESA-N 0 3 231.380 3.095 20 0 BGADHN CCS[C@H]1CC[C@H](N(C)CC2(F)CC2)C1 ZINC000527511116 387590913 /nfs/dbraw/zinc/59/09/13/387590913.db2.gz BTTSRMRSYIQLBA-QWRGUYRKSA-N 0 3 231.380 3.095 20 0 BGADHN CCS[C@@H]1CC[C@H](N(C)CC2(F)CC2)C1 ZINC000527511117 387589855 /nfs/dbraw/zinc/58/98/55/387589855.db2.gz BTTSRMRSYIQLBA-WDEREUQCSA-N 0 3 231.380 3.095 20 0 BGADHN FC(F)(F)c1ccc(CNCC2(F)CC2)cc1 ZINC000527513479 398170403 /nfs/dbraw/zinc/17/04/03/398170403.db2.gz PASVTCOCZVIMHT-UHFFFAOYSA-N 0 3 247.235 3.297 20 0 BGADHN CCCOc1ccc(CNCC2(F)CC2)cc1 ZINC000527514587 387592118 /nfs/dbraw/zinc/59/21/18/387592118.db2.gz VSUVMQADEALPLT-UHFFFAOYSA-N 0 3 237.318 3.067 20 0 BGADHN CC(C)(CNCC1(F)CC1)c1ccc(F)cc1 ZINC000527518025 387594821 /nfs/dbraw/zinc/59/48/21/387594821.db2.gz OOPCFKXCZZKEQG-UHFFFAOYSA-N 0 3 239.309 3.195 20 0 BGADHN FC1(CNCCc2ccc3ccccc3c2)CC1 ZINC000527518870 387593253 /nfs/dbraw/zinc/59/32/53/387593253.db2.gz GAWZYQIIFKCDFL-UHFFFAOYSA-N 0 3 243.325 3.474 20 0 BGADHN CCC1(CC)CCN(CC2(F)CC2)CC1 ZINC000527524655 387595868 /nfs/dbraw/zinc/59/58/68/387595868.db2.gz CMGOKYLNWCHPQM-UHFFFAOYSA-N 0 3 213.340 3.391 20 0 BGADHN Cc1oc2ccccc2c1CCNCC1(F)CC1 ZINC000527524872 387596730 /nfs/dbraw/zinc/59/67/30/387596730.db2.gz ARHGEPAXLSNEMP-UHFFFAOYSA-N 0 3 247.313 3.375 20 0 BGADHN C[C@@H]1CC[C@]2(CCN(CC3(F)CC3)C2)C1 ZINC000527524953 387596040 /nfs/dbraw/zinc/59/60/40/387596040.db2.gz PXKXVCQEPYPHGK-NEPJUHHUSA-N 0 3 211.324 3.001 20 0 BGADHN C[C@H]1CC[C@@]2(CCN(CC3(F)CC3)C2)C1 ZINC000527524954 387596117 /nfs/dbraw/zinc/59/61/17/387596117.db2.gz PXKXVCQEPYPHGK-NWDGAFQWSA-N 0 3 211.324 3.001 20 0 BGADHN C[C@H]1CC[C@]2(CCN(CC3(F)CC3)C2)C1 ZINC000527524955 387597028 /nfs/dbraw/zinc/59/70/28/387597028.db2.gz PXKXVCQEPYPHGK-RYUDHWBXSA-N 0 3 211.324 3.001 20 0 BGADHN C[C@@H]1CC[C@@]2(CCN(CC3(F)CC3)C2)C1 ZINC000527524956 387596436 /nfs/dbraw/zinc/59/64/36/387596436.db2.gz PXKXVCQEPYPHGK-VXGBXAGGSA-N 0 3 211.324 3.001 20 0 BGADHN C[C@@H]1CCN(CC2(F)CC2)CC12CCC2 ZINC000527525078 387597396 /nfs/dbraw/zinc/59/73/96/387597396.db2.gz SWHHEGMVTIURJQ-LLVKDONJSA-N 0 3 211.324 3.001 20 0 BGADHN C[C@H]1CCN(CC2(F)CC2)CC12CCC2 ZINC000527525079 387596973 /nfs/dbraw/zinc/59/69/73/387596973.db2.gz SWHHEGMVTIURJQ-NSHDSACASA-N 0 3 211.324 3.001 20 0 BGADHN CCN(Cc1c[nH]c2ccccc12)CC1(F)CC1 ZINC000527525598 387595667 /nfs/dbraw/zinc/59/56/67/387595667.db2.gz XBIMZBYCABJXQL-UHFFFAOYSA-N 0 3 246.329 3.492 20 0 BGADHN Cc1cccc([C@H]2CCN(CC3(F)CC3)C2)c1 ZINC000527525873 387596273 /nfs/dbraw/zinc/59/62/73/387596273.db2.gz LWXJOKXCNMJVNE-AWEZNQCLSA-N 0 3 233.330 3.286 20 0 BGADHN Cc1cccc([C@@H]2CCN(CC3(F)CC3)C2)c1 ZINC000527525874 387596251 /nfs/dbraw/zinc/59/62/51/387596251.db2.gz LWXJOKXCNMJVNE-CQSZACIVSA-N 0 3 233.330 3.286 20 0 BGADHN Cc1ccc([C@H]2CCN(CC3(F)CC3)C2)cc1 ZINC000527525885 387595831 /nfs/dbraw/zinc/59/58/31/387595831.db2.gz OSECPIAQUBAUKD-AWEZNQCLSA-N 0 3 233.330 3.286 20 0 BGADHN Cc1ccc([C@@H]2CCN(CC3(F)CC3)C2)cc1 ZINC000527525886 387595855 /nfs/dbraw/zinc/59/58/55/387595855.db2.gz OSECPIAQUBAUKD-CQSZACIVSA-N 0 3 233.330 3.286 20 0 BGADHN CCCCO[C@H]1C[C@@H](NCC2(F)CC2)C1(C)C ZINC000527528722 387597863 /nfs/dbraw/zinc/59/78/63/387597863.db2.gz OZUSQKYRRNDNKJ-NEPJUHHUSA-N 0 3 243.366 3.062 20 0 BGADHN CCCCO[C@@H]1C[C@H](NCC2(F)CC2)C1(C)C ZINC000527528723 387597965 /nfs/dbraw/zinc/59/79/65/387597965.db2.gz OZUSQKYRRNDNKJ-NWDGAFQWSA-N 0 3 243.366 3.062 20 0 BGADHN CCCCO[C@H]1C[C@H](NCC2(F)CC2)C1(C)C ZINC000527528724 387598244 /nfs/dbraw/zinc/59/82/44/387598244.db2.gz OZUSQKYRRNDNKJ-RYUDHWBXSA-N 0 3 243.366 3.062 20 0 BGADHN CCCCO[C@@H]1C[C@@H](NCC2(F)CC2)C1(C)C ZINC000527528725 387599074 /nfs/dbraw/zinc/59/90/74/387599074.db2.gz OZUSQKYRRNDNKJ-VXGBXAGGSA-N 0 3 243.366 3.062 20 0 BGADHN C[C@@H]1C[C@H](C)N1Cc1ccc(OCC2CC2)cc1 ZINC000527529668 387598254 /nfs/dbraw/zinc/59/82/54/387598254.db2.gz QMVSFFITOLAECF-BETUJISGSA-N 0 3 245.366 3.458 20 0 BGADHN C[C@@H]1C[C@@H](C)N1Cc1ccc(OCC2CC2)cc1 ZINC000527529669 387599064 /nfs/dbraw/zinc/59/90/64/387599064.db2.gz QMVSFFITOLAECF-CHWSQXEVSA-N 0 3 245.366 3.458 20 0 BGADHN C[C@H]1C[C@H](C)N1Cc1ccc(OCC2CC2)cc1 ZINC000527529670 387598159 /nfs/dbraw/zinc/59/81/59/387598159.db2.gz QMVSFFITOLAECF-STQMWFEESA-N 0 3 245.366 3.458 20 0 BGADHN Cc1ccc(CN2[C@H](C)C[C@H]2C)cc1F ZINC000527529732 262853308 /nfs/dbraw/zinc/85/33/08/262853308.db2.gz YVEKYWLLKHSTKB-GHMZBOCLSA-N 0 3 207.292 3.117 20 0 BGADHN Cc1ccc(CN2[C@H](C)C[C@@H]2C)cc1F ZINC000527529733 387600361 /nfs/dbraw/zinc/60/03/61/387600361.db2.gz YVEKYWLLKHSTKB-PHIMTYICSA-N 0 3 207.292 3.117 20 0 BGADHN Cc1ccc(CN2[C@@H](C)C[C@@H]2C)cc1F ZINC000527529734 387600802 /nfs/dbraw/zinc/60/08/02/387600802.db2.gz YVEKYWLLKHSTKB-QWRGUYRKSA-N 0 3 207.292 3.117 20 0 BGADHN C[C@@H]1C[C@H](C)N1Cc1cc2ccc(F)cc2[nH]1 ZINC000527530106 387599618 /nfs/dbraw/zinc/59/96/18/387599618.db2.gz ZFBAZKXREXZEBF-AOOOYVTPSA-N 0 3 232.302 3.290 20 0 BGADHN C[C@@H]1C[C@@H](C)N1Cc1cc2ccc(F)cc2[nH]1 ZINC000527530107 262853502 /nfs/dbraw/zinc/85/35/02/262853502.db2.gz ZFBAZKXREXZEBF-NXEZZACHSA-N 0 3 232.302 3.290 20 0 BGADHN C[C@H]1C[C@H](C)N1Cc1cc2ccc(F)cc2[nH]1 ZINC000527530108 387599903 /nfs/dbraw/zinc/59/99/03/387599903.db2.gz ZFBAZKXREXZEBF-UWVGGRQHSA-N 0 3 232.302 3.290 20 0 BGADHN CCOc1ccc(CN2[C@@H](C)C[C@@H]2C)cc1 ZINC000527530383 387600305 /nfs/dbraw/zinc/60/03/05/387600305.db2.gz JWSLXVQPHMSOTQ-RYUDHWBXSA-N 0 3 219.328 3.068 20 0 BGADHN CCOc1ccc(CN2[C@H](C)C[C@@H]2C)cc1 ZINC000527530384 387599915 /nfs/dbraw/zinc/59/99/15/387599915.db2.gz JWSLXVQPHMSOTQ-TXEJJXNPSA-N 0 3 219.328 3.068 20 0 BGADHN CCOc1ccc(CN2[C@H](C)C[C@H]2C)cc1 ZINC000527530385 387600688 /nfs/dbraw/zinc/60/06/88/387600688.db2.gz JWSLXVQPHMSOTQ-VXGBXAGGSA-N 0 3 219.328 3.068 20 0 BGADHN Fc1cccnc1CNCCC1CCCCC1 ZINC000527530984 387601567 /nfs/dbraw/zinc/60/15/67/387601567.db2.gz STMRYLNPANFMGS-UHFFFAOYSA-N 0 3 236.334 3.281 20 0 BGADHN CCCCN(Cc1ccnc(C)c1)C1CC1 ZINC000527531808 387621438 /nfs/dbraw/zinc/62/14/38/387621438.db2.gz CDLBTAPTGBRXKR-UHFFFAOYSA-N 0 3 218.344 3.155 20 0 BGADHN Cc1cc(CN2CCCC(C)(C)C2)ccn1 ZINC000527531852 387620730 /nfs/dbraw/zinc/62/07/30/387620730.db2.gz CMSALKNVTIMEHV-UHFFFAOYSA-N 0 3 218.344 3.012 20 0 BGADHN CC[C@@]1(C)CCN(Cc2ccnc(C)c2)C1 ZINC000527532196 387623934 /nfs/dbraw/zinc/62/39/34/387623934.db2.gz BVJSMBOWXMAQCV-AWEZNQCLSA-N 0 3 218.344 3.012 20 0 BGADHN CC[C@]1(C)CCN(Cc2ccnc(C)c2)C1 ZINC000527532198 387622268 /nfs/dbraw/zinc/62/22/68/387622268.db2.gz BVJSMBOWXMAQCV-CQSZACIVSA-N 0 3 218.344 3.012 20 0 BGADHN Cc1ccc(CN(C)Cc2ccnc(C)c2)cc1 ZINC000527532857 387622514 /nfs/dbraw/zinc/62/25/14/387622514.db2.gz HISYASKEFQKTOP-UHFFFAOYSA-N 0 3 240.350 3.330 20 0 BGADHN Cc1cc(CN(C)[C@H](C)C2(C)CC2)ccn1 ZINC000527532996 262860803 /nfs/dbraw/zinc/86/08/03/262860803.db2.gz GHIXLSWUQQDONU-GFCCVEGCSA-N 0 3 218.344 3.010 20 0 BGADHN Cc1cc(CN(C)[C@@H](C)C2(C)CC2)ccn1 ZINC000527532997 387623845 /nfs/dbraw/zinc/62/38/45/387623845.db2.gz GHIXLSWUQQDONU-LBPRGKRZSA-N 0 3 218.344 3.010 20 0 BGADHN Cc1cc(CNC(C)(C)c2ccccc2)ccn1 ZINC000527533513 387625139 /nfs/dbraw/zinc/62/51/39/387625139.db2.gz KDDPRSWMHUGNEW-UHFFFAOYSA-N 0 3 240.350 3.415 20 0 BGADHN Cc1cccc(CN(C)Cc2ccnc(C)c2)c1 ZINC000527533560 387625723 /nfs/dbraw/zinc/62/57/23/387625723.db2.gz KKPPMQFEZDLAIS-UHFFFAOYSA-N 0 3 240.350 3.330 20 0 BGADHN CCC1(C)CCN(Cc2ccnc(C)c2)CC1 ZINC000527533699 262861433 /nfs/dbraw/zinc/86/14/33/262861433.db2.gz LUFHWWHFKTUTIW-UHFFFAOYSA-N 0 3 232.371 3.402 20 0 BGADHN Cc1cc(CN2CCC(C)(C)CC2)ccn1 ZINC000527533992 387624450 /nfs/dbraw/zinc/62/44/50/387624450.db2.gz KMCJQPXTFAIGTK-UHFFFAOYSA-N 0 3 218.344 3.012 20 0 BGADHN CC[C@@]1(C)CCCN(Cc2ccnc(C)c2)C1 ZINC000527534298 387627464 /nfs/dbraw/zinc/62/74/64/387627464.db2.gz LNUPNYFKNSQGTH-HNNXBMFYSA-N 0 3 232.371 3.402 20 0 BGADHN CC[C@]1(C)CCCN(Cc2ccnc(C)c2)C1 ZINC000527534299 387627312 /nfs/dbraw/zinc/62/73/12/387627312.db2.gz LNUPNYFKNSQGTH-OAHLLOKOSA-N 0 3 232.371 3.402 20 0 BGADHN CCN(Cc1ccccc1)Cc1ccnc(C)c1 ZINC000527535039 387627398 /nfs/dbraw/zinc/62/73/98/387627398.db2.gz QHIKGPZUEGLYGY-UHFFFAOYSA-N 0 3 240.350 3.412 20 0 BGADHN Cc1cc(CN2CCC[C@H]3CCC[C@@H]32)ccn1 ZINC000527535226 387629539 /nfs/dbraw/zinc/62/95/39/387629539.db2.gz QUSPTDNXRDAKSY-CABCVRRESA-N 0 3 230.355 3.155 20 0 BGADHN Cc1cc(CN2CCC[C@@H]3CCC[C@@H]32)ccn1 ZINC000527535227 387628696 /nfs/dbraw/zinc/62/86/96/387628696.db2.gz QUSPTDNXRDAKSY-GJZGRUSLSA-N 0 3 230.355 3.155 20 0 BGADHN Cc1cc(CN2CCC[C@H]3CCC[C@H]32)ccn1 ZINC000527535229 387629236 /nfs/dbraw/zinc/62/92/36/387629236.db2.gz QUSPTDNXRDAKSY-HUUCEWRRSA-N 0 3 230.355 3.155 20 0 BGADHN Cc1cc(CN2CCC[C@@H]3CCC[C@H]32)ccn1 ZINC000527535230 387629262 /nfs/dbraw/zinc/62/92/62/387629262.db2.gz QUSPTDNXRDAKSY-LSDHHAIUSA-N 0 3 230.355 3.155 20 0 BGADHN Cc1cc(CN2CCC(C(C)C)CC2)ccn1 ZINC000527535314 387628430 /nfs/dbraw/zinc/62/84/30/387628430.db2.gz RUWGXCJDIPYOIW-UHFFFAOYSA-N 0 3 232.371 3.258 20 0 BGADHN Cc1cc(CN(C)Cc2ccccc2C)ccn1 ZINC000527535837 387630331 /nfs/dbraw/zinc/63/03/31/387630331.db2.gz WQZOYIUOXLCBJK-UHFFFAOYSA-N 0 3 240.350 3.330 20 0 BGADHN Cc1cc(CN(C)CCc2cccs2)ccn1 ZINC000527536670 387632780 /nfs/dbraw/zinc/63/27/80/387632780.db2.gz YAIJBTCJBWOHAN-UHFFFAOYSA-N 0 3 246.379 3.126 20 0 BGADHN Cc1cc(CNC2(c3ccccc3)CC2)ccn1 ZINC000527537892 262855670 /nfs/dbraw/zinc/85/56/70/262855670.db2.gz GVYLFEKLFCZTHR-UHFFFAOYSA-N 0 3 238.334 3.169 20 0 BGADHN Cc1cc(CN2CC[C@@H](C)C3(CCC3)C2)ccn1 ZINC000527538078 387605124 /nfs/dbraw/zinc/60/51/24/387605124.db2.gz HKUDEXPGTYYHNK-CYBMUJFWSA-N 0 3 244.382 3.402 20 0 BGADHN Cc1cc(CN2CC[C@H](C)C3(CCC3)C2)ccn1 ZINC000527538083 387607106 /nfs/dbraw/zinc/60/71/06/387607106.db2.gz HKUDEXPGTYYHNK-ZDUSSCGKSA-N 0 3 244.382 3.402 20 0 BGADHN Cc1cc(CN2CC[C@@H](C)C[C@H]2C)ccn1 ZINC000527540403 387610729 /nfs/dbraw/zinc/61/07/29/387610729.db2.gz RTPGPVYYQAZRDL-DGCLKSJQSA-N 0 3 218.344 3.010 20 0 BGADHN Cc1cc(CNC(C)(C)c2cccs2)ccn1 ZINC000527540426 387611957 /nfs/dbraw/zinc/61/19/57/387611957.db2.gz YKNIAKBSJLKAHO-UHFFFAOYSA-N 0 3 246.379 3.476 20 0 BGADHN Cc1cc(CN2CCC(C)(C3CC3)CC2)ccn1 ZINC000527540447 387610998 /nfs/dbraw/zinc/61/09/98/387610998.db2.gz SIUFCOQRCKHQDU-UHFFFAOYSA-N 0 3 244.382 3.402 20 0 BGADHN Cc1cc(CN2CC[C@@H](C)C(C)(C)C2)ccn1 ZINC000527540528 387610941 /nfs/dbraw/zinc/61/09/41/387610941.db2.gz ZEOFEEFOOKOGOB-GFCCVEGCSA-N 0 3 232.371 3.258 20 0 BGADHN Cc1cc(CN2CC[C@H](C)C(C)(C)C2)ccn1 ZINC000527540531 387611776 /nfs/dbraw/zinc/61/17/76/387611776.db2.gz ZEOFEEFOOKOGOB-LBPRGKRZSA-N 0 3 232.371 3.258 20 0 BGADHN Cc1cc(CN(C)C2CC(C)(C)C2)ccn1 ZINC000527540543 387610901 /nfs/dbraw/zinc/61/09/01/387610901.db2.gz UAKGKUFPKGWGHQ-UHFFFAOYSA-N 0 3 218.344 3.010 20 0 BGADHN CN1CC=C(c2ccc3c(c2)OCC3(C)C)CC1 ZINC000527586360 387634966 /nfs/dbraw/zinc/63/49/66/387634966.db2.gz DTTFRUUUHHWMAM-UHFFFAOYSA-N 0 3 243.350 3.076 20 0 BGADHN Cc1ccnc2ccc(C3=CCN(C)CC3)cc12 ZINC000527587624 387633864 /nfs/dbraw/zinc/63/38/64/387633864.db2.gz MTVFEDCZPAVIJL-UHFFFAOYSA-N 0 3 238.334 3.262 20 0 BGADHN CC[C@@H](C)CN1CCc2nc(C(C)C)ncc2C1 ZINC000527617608 387639706 /nfs/dbraw/zinc/63/97/06/387639706.db2.gz BBRHUFNTTGESJO-GFCCVEGCSA-N 0 3 247.386 3.004 20 0 BGADHN CC[C@H](C)CN1CCc2nc(C(C)C)ncc2C1 ZINC000527617609 387639389 /nfs/dbraw/zinc/63/93/89/387639389.db2.gz BBRHUFNTTGESJO-LBPRGKRZSA-N 0 3 247.386 3.004 20 0 BGADHN CC(C)CCN1CCc2nc(C(C)C)ncc2C1 ZINC000527618406 387640318 /nfs/dbraw/zinc/64/03/18/387640318.db2.gz JPNDNETYMISVLZ-UHFFFAOYSA-N 0 3 247.386 3.004 20 0 BGADHN CCCCCN1CCc2nc(C(C)C)ncc2C1 ZINC000527620673 387639659 /nfs/dbraw/zinc/63/96/59/387639659.db2.gz XBVQHPOZWSHLHC-UHFFFAOYSA-N 0 3 247.386 3.148 20 0 BGADHN CCC[C@@H](C)N1CCc2nc(C(C)C)ncc2C1 ZINC000527623493 387639207 /nfs/dbraw/zinc/63/92/07/387639207.db2.gz RVOADSYIOVSDQI-GFCCVEGCSA-N 0 3 247.386 3.147 20 0 BGADHN CCC[C@H](C)N1CCc2nc(C(C)C)ncc2C1 ZINC000527623494 387639551 /nfs/dbraw/zinc/63/95/51/387639551.db2.gz RVOADSYIOVSDQI-LBPRGKRZSA-N 0 3 247.386 3.147 20 0 BGADHN CC(C)CNCc1c(F)ccc(F)c1Cl ZINC000527628843 387641431 /nfs/dbraw/zinc/64/14/31/387641431.db2.gz FKGXURUJPNLMBV-UHFFFAOYSA-N 0 3 233.689 3.364 20 0 BGADHN Fc1ccc(F)c(CNCC2CC2)c1Cl ZINC000527635551 262867719 /nfs/dbraw/zinc/86/77/19/262867719.db2.gz LLIKRTXVAGDVBT-UHFFFAOYSA-N 0 3 231.673 3.118 20 0 BGADHN FC(F)(F)c1sccc1CNCC1CC1 ZINC000527635625 262867682 /nfs/dbraw/zinc/86/76/82/262867682.db2.gz MTHQMHXQAVDJMA-UHFFFAOYSA-N 0 3 235.274 3.267 20 0 BGADHN FC(F)(F)c1sccc1CNC1CCC1 ZINC000527656181 387662823 /nfs/dbraw/zinc/66/28/23/387662823.db2.gz CWXBCZHTUHEUOE-UHFFFAOYSA-N 0 3 235.274 3.409 20 0 BGADHN Cc1cc(CN[C@@H]2CCCC(F)(F)C2)ccn1 ZINC000527674356 387656975 /nfs/dbraw/zinc/65/69/75/387656975.db2.gz LUETVRXUXAFGDV-GFCCVEGCSA-N 0 3 240.297 3.058 20 0 BGADHN Cc1cc(CN[C@H]2CCCC(F)(F)C2)ccn1 ZINC000527674360 262870903 /nfs/dbraw/zinc/87/09/03/262870903.db2.gz LUETVRXUXAFGDV-LBPRGKRZSA-N 0 3 240.297 3.058 20 0 BGADHN Cc1cc(C)nc(NCc2ccnc(C)c2)c1 ZINC000527681227 387656735 /nfs/dbraw/zinc/65/67/35/387656735.db2.gz MKAMKBODSQEDBE-UHFFFAOYSA-N 0 3 227.311 3.014 20 0 BGADHN CC[C@H](CC(F)(F)F)NCc1ccnc(C)c1 ZINC000527690344 387685559 /nfs/dbraw/zinc/68/55/59/387685559.db2.gz DMVBPKBXNDGIHG-LLVKDONJSA-N 0 3 246.276 3.211 20 0 BGADHN CC[C@@H](CC(F)(F)F)NCc1ccnc(C)c1 ZINC000527690346 387684456 /nfs/dbraw/zinc/68/44/56/387684456.db2.gz DMVBPKBXNDGIHG-NSHDSACASA-N 0 3 246.276 3.211 20 0 BGADHN CC1(C)CC(CNCc2ccncc2Cl)C1 ZINC000527697012 387687930 /nfs/dbraw/zinc/68/79/30/387687930.db2.gz OHYHKQFCDWVANE-UHFFFAOYSA-N 0 3 238.762 3.261 20 0 BGADHN Cc1cscc1CNCc1ccnc(C)c1 ZINC000527699569 387666252 /nfs/dbraw/zinc/66/62/52/387666252.db2.gz IAYYMZSDJPLKCZ-UHFFFAOYSA-N 0 3 232.352 3.050 20 0 BGADHN FC1(F)CC(NCc2ccc3cc[nH]c3c2)C1 ZINC000527701109 387666449 /nfs/dbraw/zinc/66/64/49/387666449.db2.gz QXGSFPQIRWQTRM-UHFFFAOYSA-N 0 3 236.265 3.055 20 0 BGADHN CC1(CCNCc2ccncc2Cl)CC1 ZINC000527702474 387667197 /nfs/dbraw/zinc/66/71/97/387667197.db2.gz WEQJOMRSDVOIFR-UHFFFAOYSA-N 0 3 224.735 3.015 20 0 BGADHN Cc1cc(CNCC(C)(C)C(F)(F)F)ccn1 ZINC000527706511 387667994 /nfs/dbraw/zinc/66/79/94/387667994.db2.gz WIMUIUOYGJFAFE-UHFFFAOYSA-N 0 3 246.276 3.068 20 0 BGADHN FC1(CCNCc2ccncc2Cl)CCC1 ZINC000527707708 387668728 /nfs/dbraw/zinc/66/87/28/387668728.db2.gz HRZPQFGDEWHBIZ-UHFFFAOYSA-N 0 3 242.725 3.107 20 0 BGADHN CCc1noc(C)c1CN[C@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000527710744 262874907 /nfs/dbraw/zinc/87/49/07/262874907.db2.gz DXWTXXUZQBYHOP-ICCXJUOJSA-N 0 3 248.370 3.070 20 0 BGADHN CCc1noc(C)c1CN[C@@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000527710752 387669517 /nfs/dbraw/zinc/66/95/17/387669517.db2.gz DXWTXXUZQBYHOP-XDTLVQLUSA-N 0 3 248.370 3.070 20 0 BGADHN Cc1ccoc1CN[C@@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000527711479 387670781 /nfs/dbraw/zinc/67/07/81/387670781.db2.gz UNNOSCUGMVFGDO-DRZSPHRISA-N 0 3 219.328 3.112 20 0 BGADHN Cc1ccoc1CN[C@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000527711482 387670211 /nfs/dbraw/zinc/67/02/11/387670211.db2.gz UNNOSCUGMVFGDO-WXHSDQCUSA-N 0 3 219.328 3.112 20 0 BGADHN CCc1nc(C)c(CN[C@H](C)[C@@H]2C[C@H]2C2CC2)o1 ZINC000527711576 387670916 /nfs/dbraw/zinc/67/09/16/387670916.db2.gz VPVTZYZGMHFMSB-ICCXJUOJSA-N 0 3 248.370 3.070 20 0 BGADHN CCc1nc(C)c(CN[C@@H](C)[C@@H]2C[C@H]2C2CC2)o1 ZINC000527711579 387670577 /nfs/dbraw/zinc/67/05/77/387670577.db2.gz VPVTZYZGMHFMSB-XDTLVQLUSA-N 0 3 248.370 3.070 20 0 BGADHN Cc1csc(CNCc2ccnc(C)c2)c1 ZINC000527712390 387669997 /nfs/dbraw/zinc/66/99/97/387669997.db2.gz JUYSVGBBXZJBNP-UHFFFAOYSA-N 0 3 232.352 3.050 20 0 BGADHN C[C@H](NCc1cnc(C2CC2)o1)[C@@H]1C[C@H]1C1CC1 ZINC000527715130 387672063 /nfs/dbraw/zinc/67/20/63/387672063.db2.gz AEJBIJUEBIQGMR-HERUPUMHSA-N 0 3 246.354 3.076 20 0 BGADHN C[C@@H](NCc1cnc(C2CC2)o1)[C@@H]1C[C@H]1C1CC1 ZINC000527715131 387671743 /nfs/dbraw/zinc/67/17/43/387671743.db2.gz AEJBIJUEBIQGMR-IIMNLJJBSA-N 0 3 246.354 3.076 20 0 BGADHN CCCc1ncc(CN[C@@H](C)[C@@H]2C[C@H]2C2CC2)o1 ZINC000527716108 387672822 /nfs/dbraw/zinc/67/28/22/387672822.db2.gz LBXGVHNEDSMFLW-BPNCWPANSA-N 0 3 248.370 3.151 20 0 BGADHN CCCc1ncc(CN[C@H](C)[C@@H]2C[C@H]2C2CC2)o1 ZINC000527716109 262875259 /nfs/dbraw/zinc/87/52/59/262875259.db2.gz LBXGVHNEDSMFLW-SWHYSGLUSA-N 0 3 248.370 3.151 20 0 BGADHN CC(C)[C@@H]1C[C@H]1CNCc1ccncc1Cl ZINC000527718152 262875758 /nfs/dbraw/zinc/87/57/58/262875758.db2.gz WGPVUDFCJJSJBM-RYUDHWBXSA-N 0 3 238.762 3.117 20 0 BGADHN Clc1cnccc1CN[C@@H]1C[C@H]1C1CCC1 ZINC000527718915 387674461 /nfs/dbraw/zinc/67/44/61/387674461.db2.gz DMTCBFUTSFLDOQ-WCQYABFASA-N 0 3 236.746 3.013 20 0 BGADHN C[C@@H](N[C@@H](C)c1nccs1)[C@@H]1C[C@H]1C1CC1 ZINC000527722333 387677838 /nfs/dbraw/zinc/67/78/38/387677838.db2.gz WXUFWSHWKPIQQC-QCZKYFFMSA-N 0 3 236.384 3.228 20 0 BGADHN C[C@H](N[C@@H](C)[C@@H]1C[C@H]1C1CC1)c1nccs1 ZINC000527722336 387676031 /nfs/dbraw/zinc/67/60/31/387676031.db2.gz WXUFWSHWKPIQQC-QSFUFRPTSA-N 0 3 236.384 3.228 20 0 BGADHN C[C@@H](N[C@H](C)[C@@H]1C[C@H]1C1CC1)c1cscn1 ZINC000527723763 387676172 /nfs/dbraw/zinc/67/61/72/387676172.db2.gz CRRNTIHGMKZBPE-LSKIRQOJSA-N 0 3 236.384 3.228 20 0 BGADHN C[C@@H](N[C@@H](C)[C@@H]1C[C@H]1C1CC1)c1cscn1 ZINC000527723764 387677799 /nfs/dbraw/zinc/67/77/99/387677799.db2.gz CRRNTIHGMKZBPE-QCMRWSPLSA-N 0 3 236.384 3.228 20 0 BGADHN C[C@@H](N[C@@H](C)c1cscn1)[C@@H]1C[C@H]1C1CC1 ZINC000527723765 387676417 /nfs/dbraw/zinc/67/64/17/387676417.db2.gz CRRNTIHGMKZBPE-QCZKYFFMSA-N 0 3 236.384 3.228 20 0 BGADHN C[C@H](N[C@@H](C)[C@@H]1C[C@H]1C1CC1)c1cscn1 ZINC000527723766 387676942 /nfs/dbraw/zinc/67/69/42/387676942.db2.gz CRRNTIHGMKZBPE-QSFUFRPTSA-N 0 3 236.384 3.228 20 0 BGADHN c1cc2ccc(CNCC3=CCCC3)cc2[nH]1 ZINC000527725438 387676628 /nfs/dbraw/zinc/67/66/28/387676628.db2.gz DZOIIODGPRIPJE-UHFFFAOYSA-N 0 3 226.323 3.368 20 0 BGADHN CC1(C)CCC[C@@H]1CCNCc1ccccn1 ZINC000527726086 387678088 /nfs/dbraw/zinc/67/80/88/387678088.db2.gz CCZIWASESIJHSE-CYBMUJFWSA-N 0 3 232.371 3.388 20 0 BGADHN CC1(C)CCC[C@H]1CCNCc1ccccn1 ZINC000527726089 387677975 /nfs/dbraw/zinc/67/79/75/387677975.db2.gz CCZIWASESIJHSE-ZDUSSCGKSA-N 0 3 232.371 3.388 20 0 BGADHN CCn1ccnc1CNCC[C@H]1CCCC1(C)C ZINC000527727620 387677656 /nfs/dbraw/zinc/67/76/56/387677656.db2.gz IDJNDUZLZMCRSA-CYBMUJFWSA-N 0 3 249.402 3.209 20 0 BGADHN CCn1ccnc1CNCC[C@@H]1CCCC1(C)C ZINC000527727621 387676776 /nfs/dbraw/zinc/67/67/76/387676776.db2.gz IDJNDUZLZMCRSA-ZDUSSCGKSA-N 0 3 249.402 3.209 20 0 BGADHN Cc1nc(CNCC[C@H]2CCCC2(C)C)[nH]c1C ZINC000527728508 262877054 /nfs/dbraw/zinc/87/70/54/262877054.db2.gz LKMUXXZAXHFFFQ-CYBMUJFWSA-N 0 3 249.402 3.333 20 0 BGADHN Cc1nc(CNCC[C@@H]2CCCC2(C)C)[nH]c1C ZINC000527728513 387680908 /nfs/dbraw/zinc/68/09/08/387680908.db2.gz LKMUXXZAXHFFFQ-ZDUSSCGKSA-N 0 3 249.402 3.333 20 0 BGADHN CC1(C)CCC[C@@H]1CCNCc1cncs1 ZINC000527728590 387679048 /nfs/dbraw/zinc/67/90/48/387679048.db2.gz MCNNHWCWPQOSOA-LLVKDONJSA-N 0 3 238.400 3.449 20 0 BGADHN CC1(C)CCC[C@H]1CCNCc1cncs1 ZINC000527728592 387680880 /nfs/dbraw/zinc/68/08/80/387680880.db2.gz MCNNHWCWPQOSOA-NSHDSACASA-N 0 3 238.400 3.449 20 0 BGADHN Cc1cc(CNCC[C@H]2CCCC2(C)C)nn1C ZINC000527729340 387679598 /nfs/dbraw/zinc/67/95/98/387679598.db2.gz NZSQPRSUEPCKKZ-CYBMUJFWSA-N 0 3 249.402 3.035 20 0 BGADHN Cc1cc(CNCC[C@@H]2CCCC2(C)C)nn1C ZINC000527729342 387679481 /nfs/dbraw/zinc/67/94/81/387679481.db2.gz NZSQPRSUEPCKKZ-ZDUSSCGKSA-N 0 3 249.402 3.035 20 0 BGADHN Cc1nocc1CNCC[C@H]1CCCC1(C)C ZINC000527729355 387680430 /nfs/dbraw/zinc/68/04/30/387680430.db2.gz OLFWVMBOPOIXIG-CYBMUJFWSA-N 0 3 236.359 3.289 20 0 BGADHN Cc1nocc1CNCC[C@@H]1CCCC1(C)C ZINC000527729357 387679656 /nfs/dbraw/zinc/67/96/56/387679656.db2.gz OLFWVMBOPOIXIG-ZDUSSCGKSA-N 0 3 236.359 3.289 20 0 BGADHN Cc1ncc(CNCC[C@@H]2CCCC2(C)C)cn1 ZINC000527730106 387680563 /nfs/dbraw/zinc/68/05/63/387680563.db2.gz QHWAAQZDSUQEGB-AWEZNQCLSA-N 0 3 247.386 3.091 20 0 BGADHN Cc1ncc(CNCC[C@H]2CCCC2(C)C)cn1 ZINC000527730109 387679154 /nfs/dbraw/zinc/67/91/54/387679154.db2.gz QHWAAQZDSUQEGB-CQSZACIVSA-N 0 3 247.386 3.091 20 0 BGADHN CC1(C)CCC[C@@H]1CCNCc1cscn1 ZINC000527731286 262877651 /nfs/dbraw/zinc/87/76/51/262877651.db2.gz XKADFCKTGVQJKC-LLVKDONJSA-N 0 3 238.400 3.449 20 0 BGADHN CC1(C)CCC[C@H]1CCNCc1cscn1 ZINC000527731287 387679707 /nfs/dbraw/zinc/67/97/07/387679707.db2.gz XKADFCKTGVQJKC-NSHDSACASA-N 0 3 238.400 3.449 20 0 BGADHN Cc1c[nH]nc1CNCC[C@H]1CCCC1(C)C ZINC000527731329 387680049 /nfs/dbraw/zinc/68/00/49/387680049.db2.gz XWWWEINOWWRKIV-GFCCVEGCSA-N 0 3 235.375 3.024 20 0 BGADHN Cc1c[nH]nc1CNCC[C@@H]1CCCC1(C)C ZINC000527731330 387679618 /nfs/dbraw/zinc/67/96/18/387679618.db2.gz XWWWEINOWWRKIV-LBPRGKRZSA-N 0 3 235.375 3.024 20 0 BGADHN Cc1c[nH]nc1CNCC(C1CCC1)C1CCC1 ZINC000527732979 387683081 /nfs/dbraw/zinc/68/30/81/387683081.db2.gz AMXZQNXIXYAHHN-UHFFFAOYSA-N 0 3 247.386 3.024 20 0 BGADHN Cc1nocc1CNCC(C1CCC1)C1CCC1 ZINC000527733169 387682608 /nfs/dbraw/zinc/68/26/08/387682608.db2.gz DBKRJJPGOLPUGA-UHFFFAOYSA-N 0 3 248.370 3.289 20 0 BGADHN COC[C@@H](C)NCc1ccccc1CC(C)C ZINC000527735654 387682480 /nfs/dbraw/zinc/68/24/80/387682480.db2.gz XWYPFBKOMVBVBQ-CYBMUJFWSA-N 0 3 235.371 3.010 20 0 BGADHN COC[C@H](C)NCc1ccccc1CC(C)C ZINC000527735655 387682661 /nfs/dbraw/zinc/68/26/61/387682661.db2.gz XWYPFBKOMVBVBQ-ZDUSSCGKSA-N 0 3 235.371 3.010 20 0 BGADHN Fc1cc(F)c(CNCC2CC=CC2)cc1F ZINC000527743163 387689518 /nfs/dbraw/zinc/68/95/18/387689518.db2.gz GFLAVBYCSBQMLG-UHFFFAOYSA-N 0 3 241.256 3.160 20 0 BGADHN Clc1sccc1CNCC1CC=CC1 ZINC000527743226 387689805 /nfs/dbraw/zinc/68/98/05/387689805.db2.gz GQNJRIGNAVZYPR-UHFFFAOYSA-N 0 3 227.760 3.457 20 0 BGADHN CC(C)c1cnc(CNCC2CC=CC2)s1 ZINC000527745253 387690612 /nfs/dbraw/zinc/69/06/12/387690612.db2.gz QXCOCNQCUKLWPB-UHFFFAOYSA-N 0 3 236.384 3.322 20 0 BGADHN Cc1cc(F)c(CNCC2CC=CC2)c(F)c1 ZINC000527746950 398172611 /nfs/dbraw/zinc/17/26/11/398172611.db2.gz XMKYBGBDIMYLIO-UHFFFAOYSA-N 0 3 237.293 3.329 20 0 BGADHN C1=CCC(CNCc2csc(C3CC3)n2)C1 ZINC000527750211 323676660 /nfs/dbraw/zinc/67/66/60/323676660.db2.gz HVGQZWQSTDQSRC-UHFFFAOYSA-N 0 3 234.368 3.076 20 0 BGADHN Fc1ccc(F)c(CNCC2CC=CC2)c1 ZINC000527750347 323677900 /nfs/dbraw/zinc/67/79/00/323677900.db2.gz KATDLDBUPWTNCN-UHFFFAOYSA-N 0 3 223.266 3.021 20 0 BGADHN Fc1cccc(CNCC2CC=CC2)c1F ZINC000527750704 387691867 /nfs/dbraw/zinc/69/18/67/387691867.db2.gz OIVMXQWILCEBDA-UHFFFAOYSA-N 0 3 223.266 3.021 20 0 BGADHN Fc1cccc(F)c1CNCC1CC=CC1 ZINC000527751662 387692510 /nfs/dbraw/zinc/69/25/10/387692510.db2.gz XWKZCOARVKKGID-UHFFFAOYSA-N 0 3 223.266 3.021 20 0 BGADHN Fc1ccc(CNCC2CC=CC2)c(F)c1 ZINC000527751707 387693559 /nfs/dbraw/zinc/69/35/59/387693559.db2.gz YPWGUKGPANTOCI-UHFFFAOYSA-N 0 3 223.266 3.021 20 0 BGADHN CC[C@@H](CCc1ccccc1)NCc1cocn1 ZINC000527761040 323682985 /nfs/dbraw/zinc/68/29/85/323682985.db2.gz FBGDSEROTGRCJI-AWEZNQCLSA-N 0 3 244.338 3.176 20 0 BGADHN CC[C@H](CCc1ccccc1)NCc1cocn1 ZINC000527761044 323683140 /nfs/dbraw/zinc/68/31/40/323683140.db2.gz FBGDSEROTGRCJI-CQSZACIVSA-N 0 3 244.338 3.176 20 0 BGADHN CCC(NCc1nc(C)c(C)[nH]1)(C1CC1)C1CC1 ZINC000527766122 387701453 /nfs/dbraw/zinc/70/14/53/387701453.db2.gz XDHFSPVYRMWEGF-UHFFFAOYSA-N 0 3 247.386 3.085 20 0 BGADHN CCC(NCc1cscn1)(C1CC1)C1CC1 ZINC000527766348 387701734 /nfs/dbraw/zinc/70/17/34/387701734.db2.gz ZXQMPBZKCNGIAA-UHFFFAOYSA-N 0 3 236.384 3.202 20 0 BGADHN CC(C)=CCN[C@H](c1ccccn1)C1CCC1 ZINC000527774359 262880901 /nfs/dbraw/zinc/88/09/01/262880901.db2.gz SKZNKDCEIVHTJA-HNNXBMFYSA-N 0 3 230.355 3.479 20 0 BGADHN CC(C)=CCN[C@@H](c1ccccn1)C1CCC1 ZINC000527774360 387704351 /nfs/dbraw/zinc/70/43/51/387704351.db2.gz SKZNKDCEIVHTJA-OAHLLOKOSA-N 0 3 230.355 3.479 20 0 BGADHN c1cc(CN[C@H](c2ccccn2)C2CCC2)c[nH]1 ZINC000527774389 262881217 /nfs/dbraw/zinc/88/12/17/262881217.db2.gz UDRJLMIQLMXCRJ-HNNXBMFYSA-N 0 3 241.338 3.041 20 0 BGADHN c1cc(CN[C@@H](c2ccccn2)C2CCC2)c[nH]1 ZINC000527774390 387704449 /nfs/dbraw/zinc/70/44/49/387704449.db2.gz UDRJLMIQLMXCRJ-OAHLLOKOSA-N 0 3 241.338 3.041 20 0 BGADHN CCO[C@@]1(C)C[C@H]1NCc1cccc2ccoc21 ZINC000527782177 387709898 /nfs/dbraw/zinc/70/98/98/387709898.db2.gz AVSYOOSWIGYXJN-HIFRSBDPSA-N 0 3 245.322 3.090 20 0 BGADHN CCO[C@@]1(C)C[C@H]1NCc1cc(Cl)cs1 ZINC000527782625 323689926 /nfs/dbraw/zinc/68/99/26/323689926.db2.gz HYGPCEOPDMOPGY-MNOVXSKESA-N 0 3 245.775 3.059 20 0 BGADHN CCO[C@@]1(C)C[C@H]1NCc1cc2ccccc2o1 ZINC000527782952 323690140 /nfs/dbraw/zinc/69/01/40/323690140.db2.gz BNZIAJQTUVHCGJ-CABCVRRESA-N 0 3 245.322 3.090 20 0 BGADHN CCO[C@@]1(C)C[C@H]1NCc1ccc2occc2c1 ZINC000527783535 387712054 /nfs/dbraw/zinc/71/20/54/387712054.db2.gz YRMRPLMMQYCDIB-CABCVRRESA-N 0 3 245.322 3.090 20 0 BGADHN CCO[C@@]1(C)C[C@H]1NCc1ccc(Cl)s1 ZINC000527783858 387713199 /nfs/dbraw/zinc/71/31/99/387713199.db2.gz XGAWQIZTOSJUJD-KOLCDFICSA-N 0 3 245.775 3.059 20 0 BGADHN Cc1ccoc1CNCC[C@@H]1CC=CCC1 ZINC000527786230 387711824 /nfs/dbraw/zinc/71/18/24/387711824.db2.gz DETSASWPQKDVKT-CYBMUJFWSA-N 0 3 219.328 3.424 20 0 BGADHN Cc1ccoc1CNCC[C@H]1CC=CCC1 ZINC000527786253 387713183 /nfs/dbraw/zinc/71/31/83/387713183.db2.gz DETSASWPQKDVKT-ZDUSSCGKSA-N 0 3 219.328 3.424 20 0 BGADHN Cc1nc(CNCC[C@@H]2CC=CCC2)cs1 ZINC000527786498 387712321 /nfs/dbraw/zinc/71/23/21/387712321.db2.gz FTSPAJDAWZESBF-GFCCVEGCSA-N 0 3 236.384 3.288 20 0 BGADHN Cc1nc(CNCC[C@H]2CC=CCC2)cs1 ZINC000527786500 387711985 /nfs/dbraw/zinc/71/19/85/387711985.db2.gz FTSPAJDAWZESBF-LBPRGKRZSA-N 0 3 236.384 3.288 20 0 BGADHN Cc1ccc(CNCC[C@@H]2CC=CCC2)o1 ZINC000527787072 387712870 /nfs/dbraw/zinc/71/28/70/387712870.db2.gz GIGJXNMLFDQEOC-CYBMUJFWSA-N 0 3 219.328 3.424 20 0 BGADHN Cc1ccc(CNCC[C@H]2CC=CCC2)o1 ZINC000527787075 387711603 /nfs/dbraw/zinc/71/16/03/387711603.db2.gz GIGJXNMLFDQEOC-ZDUSSCGKSA-N 0 3 219.328 3.424 20 0 BGADHN Cc1cnc(CNCC[C@@H]2CC=CCC2)s1 ZINC000527789672 387714791 /nfs/dbraw/zinc/71/47/91/387714791.db2.gz NAEQQEUOFDQNCC-GFCCVEGCSA-N 0 3 236.384 3.288 20 0 BGADHN Cc1cnc(CNCC[C@H]2CC=CCC2)s1 ZINC000527789674 387714164 /nfs/dbraw/zinc/71/41/64/387714164.db2.gz NAEQQEUOFDQNCC-LBPRGKRZSA-N 0 3 236.384 3.288 20 0 BGADHN COCc1ccc(CNCC[C@@H]2CC=CCC2)o1 ZINC000527790508 387718071 /nfs/dbraw/zinc/71/80/71/387718071.db2.gz PROWENXBGXLYPO-CYBMUJFWSA-N 0 3 249.354 3.262 20 0 BGADHN COCc1ccc(CNCC[C@H]2CC=CCC2)o1 ZINC000527790509 387716645 /nfs/dbraw/zinc/71/66/45/387716645.db2.gz PROWENXBGXLYPO-ZDUSSCGKSA-N 0 3 249.354 3.262 20 0 BGADHN c1coc(CNCC[C@@H]2CC=CCC2)c1 ZINC000527791732 387717839 /nfs/dbraw/zinc/71/78/39/387717839.db2.gz SFDQLKBCTWSOFK-GFCCVEGCSA-N 0 3 205.301 3.116 20 0 BGADHN c1coc(CNCC[C@H]2CC=CCC2)c1 ZINC000527791734 387717094 /nfs/dbraw/zinc/71/70/94/387717094.db2.gz SFDQLKBCTWSOFK-LBPRGKRZSA-N 0 3 205.301 3.116 20 0 BGADHN CCc1nocc1CNCC[C@@H]1CC=CCC1 ZINC000527792045 387717079 /nfs/dbraw/zinc/71/70/79/387717079.db2.gz XIHOEGAAAMJSLF-GFCCVEGCSA-N 0 3 234.343 3.073 20 0 BGADHN CCc1nocc1CNCC[C@H]1CC=CCC1 ZINC000527792046 262882787 /nfs/dbraw/zinc/88/27/87/262882787.db2.gz XIHOEGAAAMJSLF-LBPRGKRZSA-N 0 3 234.343 3.073 20 0 BGADHN Cc1cccc(CNCc2cccnc2C)c1C ZINC000527792587 387717580 /nfs/dbraw/zinc/71/75/80/387717580.db2.gz SJDQITGKZZNYKA-UHFFFAOYSA-N 0 3 240.350 3.297 20 0 BGADHN Cc1ccc(C)c(CNCc2cccnc2C)c1 ZINC000527792624 387719714 /nfs/dbraw/zinc/71/97/14/387719714.db2.gz SXMGTALUFJNGBN-UHFFFAOYSA-N 0 3 240.350 3.297 20 0 BGADHN Cc1cc(F)ccc1CNCc1cccnc1C ZINC000527792677 387718986 /nfs/dbraw/zinc/71/89/86/387718986.db2.gz URWMJPWONKKCMT-UHFFFAOYSA-N 0 3 244.313 3.127 20 0 BGADHN Cc1noc(C)c1CNCC[C@@H]1CC=CCC1 ZINC000527792772 387719921 /nfs/dbraw/zinc/71/99/21/387719921.db2.gz WYAFESQCKOGQLR-CYBMUJFWSA-N 0 3 234.343 3.127 20 0 BGADHN Cc1noc(C)c1CNCC[C@H]1CC=CCC1 ZINC000527792773 262882456 /nfs/dbraw/zinc/88/24/56/262882456.db2.gz WYAFESQCKOGQLR-ZDUSSCGKSA-N 0 3 234.343 3.127 20 0 BGADHN Cc1sccc1CNCc1cccnc1C ZINC000527793190 262883014 /nfs/dbraw/zinc/88/30/14/262883014.db2.gz GZVDSXRKJRWLFB-UHFFFAOYSA-N 0 3 232.352 3.050 20 0 BGADHN Cc1ccc(CNCc2cccnc2C)cc1C ZINC000527793286 387719484 /nfs/dbraw/zinc/71/94/84/387719484.db2.gz XTWIQNHFNXZWEF-UHFFFAOYSA-N 0 3 240.350 3.297 20 0 BGADHN FC1(CN[C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000527795441 411243557 /nfs/dbraw/zinc/24/35/57/411243557.db2.gz OHCMWBGAOCMUQL-LBPRGKRZSA-N 0 3 239.721 3.419 20 0 BGADHN FC1(CN[C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000527796639 411243692 /nfs/dbraw/zinc/24/36/92/411243692.db2.gz OHCMWBGAOCMUQL-GFCCVEGCSA-N 0 3 239.721 3.419 20 0 BGADHN Cc1ccc(CN[C@@H]2C[C@]2(C)OC(C)C)s1 ZINC000527797968 262883043 /nfs/dbraw/zinc/88/30/43/262883043.db2.gz FWEUSSZDQPXPSK-OLZOCXBDSA-N 0 3 239.384 3.102 20 0 BGADHN Cc1ccsc1CN[C@@H]1C[C@]1(C)OC(C)C ZINC000527800614 387721943 /nfs/dbraw/zinc/72/19/43/387721943.db2.gz PVYMMEOJEDKBGN-OLZOCXBDSA-N 0 3 239.384 3.102 20 0 BGADHN Cc1sccc1CN[C@@H]1C[C@]1(C)OC(C)C ZINC000527800762 387722679 /nfs/dbraw/zinc/72/26/79/387722679.db2.gz FSFVQVDNYQRIEH-OLZOCXBDSA-N 0 3 239.384 3.102 20 0 BGADHN Cc1cc(CN[C@@H]2C[C@]2(C)OC(C)C)cs1 ZINC000527803065 387724709 /nfs/dbraw/zinc/72/47/09/387724709.db2.gz UFGCVWFIDPFBBM-OLZOCXBDSA-N 0 3 239.384 3.102 20 0 BGADHN Cc1cccc([C@@H](NCc2cn[nH]c2)C(C)C)c1 ZINC000527811382 387732156 /nfs/dbraw/zinc/73/21/56/387732156.db2.gz RTMLPBZEZOGSQP-HNNXBMFYSA-N 0 3 243.354 3.205 20 0 BGADHN Cc1cccc([C@H](NCc2cn[nH]c2)C(C)C)c1 ZINC000527811383 387732859 /nfs/dbraw/zinc/73/28/59/387732859.db2.gz RTMLPBZEZOGSQP-OAHLLOKOSA-N 0 3 243.354 3.205 20 0 BGADHN CC[C@H](NCc1cn[nH]c1)c1cc(C)ccc1C ZINC000527820531 387742745 /nfs/dbraw/zinc/74/27/45/387742745.db2.gz MGPKXFYFNKUHFO-HNNXBMFYSA-N 0 3 243.354 3.267 20 0 BGADHN CC[C@@H](NCc1cn[nH]c1)c1cc(C)ccc1C ZINC000527820532 262886888 /nfs/dbraw/zinc/88/68/88/262886888.db2.gz MGPKXFYFNKUHFO-OAHLLOKOSA-N 0 3 243.354 3.267 20 0 BGADHN C[C@H](NCC1CCCC1)c1ncccc1F ZINC000527825829 387744884 /nfs/dbraw/zinc/74/48/84/387744884.db2.gz DBASIVQWZCFCCG-JTQLQIEISA-N 0 3 222.307 3.062 20 0 BGADHN C[C@H](NC[C@@H]1CC=CCC1)c1ncccc1F ZINC000527826496 387744903 /nfs/dbraw/zinc/74/49/03/387744903.db2.gz OEGXYJHXFUXZJG-NWDGAFQWSA-N 0 3 234.318 3.228 20 0 BGADHN C[C@H](NC[C@H]1CC=CCC1)c1ncccc1F ZINC000527826497 387746276 /nfs/dbraw/zinc/74/62/76/387746276.db2.gz OEGXYJHXFUXZJG-RYUDHWBXSA-N 0 3 234.318 3.228 20 0 BGADHN C[C@H](NCC1CCCCC1)c1ncccc1F ZINC000527826640 387746551 /nfs/dbraw/zinc/74/65/51/387746551.db2.gz PPWHRYAEYDYCLW-NSHDSACASA-N 0 3 236.334 3.452 20 0 BGADHN C[C@H](N[C@@H](C)[C@@H]1CC1(C)C)c1ncccc1F ZINC000527828836 387748579 /nfs/dbraw/zinc/74/85/79/387748579.db2.gz YBBYKDQONYVOLZ-DCAQKATOSA-N 0 3 236.334 3.306 20 0 BGADHN C[C@H](N[C@@H](C)[C@H]1CC1(C)C)c1ncccc1F ZINC000527828839 387748569 /nfs/dbraw/zinc/74/85/69/387748569.db2.gz YBBYKDQONYVOLZ-GARJFASQSA-N 0 3 236.334 3.306 20 0 BGADHN C[C@@H](N[C@@H](C)c1ncccc1F)[C@H]1CC1(C)C ZINC000527828840 387749578 /nfs/dbraw/zinc/74/95/78/387749578.db2.gz YBBYKDQONYVOLZ-OUAUKWLOSA-N 0 3 236.334 3.306 20 0 BGADHN C[C@@H](N[C@@H](C)c1ncccc1F)[C@@H]1CC1(C)C ZINC000527828841 387748761 /nfs/dbraw/zinc/74/87/61/387748761.db2.gz YBBYKDQONYVOLZ-VWYCJHECSA-N 0 3 236.334 3.306 20 0 BGADHN COc1ccc([C@@H](NCC=C(C)C)C2CC2)cn1 ZINC000527841769 387750359 /nfs/dbraw/zinc/75/03/59/387750359.db2.gz RPKAXVMXWCPTPH-HNNXBMFYSA-N 0 3 246.354 3.097 20 0 BGADHN COc1ccc([C@H](NCC=C(C)C)C2CC2)cn1 ZINC000527841770 387751688 /nfs/dbraw/zinc/75/16/88/387751688.db2.gz RPKAXVMXWCPTPH-OAHLLOKOSA-N 0 3 246.354 3.097 20 0 BGADHN COCCN[C@H](C)c1cccc(C(C)C)c1 ZINC000527842544 387751223 /nfs/dbraw/zinc/75/12/23/387751223.db2.gz KZMFVUZWCHOITG-GFCCVEGCSA-N 0 3 221.344 3.107 20 0 BGADHN COCCN[C@@H](C)c1cccc(C(C)C)c1 ZINC000527842546 387750281 /nfs/dbraw/zinc/75/02/81/387750281.db2.gz KZMFVUZWCHOITG-LBPRGKRZSA-N 0 3 221.344 3.107 20 0 BGADHN CCCN[C@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000527842555 387751298 /nfs/dbraw/zinc/75/12/98/387751298.db2.gz LDZZYFBHQPCQPU-GFCCVEGCSA-N 0 3 243.354 3.148 20 0 BGADHN CCCN[C@@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000527842557 387750919 /nfs/dbraw/zinc/75/09/19/387750919.db2.gz LDZZYFBHQPCQPU-LBPRGKRZSA-N 0 3 243.354 3.148 20 0 BGADHN CC[C@@H](C)c1ccc([C@@H](C)NCCOC)cc1 ZINC000527844967 387752948 /nfs/dbraw/zinc/75/29/48/387752948.db2.gz SUEPSUIFTTVDBQ-CHWSQXEVSA-N 0 3 235.371 3.497 20 0 BGADHN CC[C@@H](C)c1ccc([C@H](C)NCCOC)cc1 ZINC000527844968 387751979 /nfs/dbraw/zinc/75/19/79/387751979.db2.gz SUEPSUIFTTVDBQ-OLZOCXBDSA-N 0 3 235.371 3.497 20 0 BGADHN CC[C@H](C)c1ccc([C@@H](C)NCCOC)cc1 ZINC000527844969 323703229 /nfs/dbraw/zinc/70/32/29/323703229.db2.gz SUEPSUIFTTVDBQ-QWHCGFSZSA-N 0 3 235.371 3.497 20 0 BGADHN CC[C@H](C)c1ccc([C@H](C)NCCOC)cc1 ZINC000527844970 387752183 /nfs/dbraw/zinc/75/21/83/387752183.db2.gz SUEPSUIFTTVDBQ-STQMWFEESA-N 0 3 235.371 3.497 20 0 BGADHN Fc1cc2c(cc1Cl)[C@H](NC1CC1)CC2 ZINC000527846708 323704244 /nfs/dbraw/zinc/70/42/44/323704244.db2.gz YHHKNVBBAVOSQN-GFCCVEGCSA-N 0 3 225.694 3.218 20 0 BGADHN Fc1cc2c(cc1Cl)[C@@H](NC1CC1)CC2 ZINC000527846709 387752235 /nfs/dbraw/zinc/75/22/35/387752235.db2.gz YHHKNVBBAVOSQN-LBPRGKRZSA-N 0 3 225.694 3.218 20 0 BGADHN C[C@@H](NCc1ccc(F)cc1F)[C@H]1CC12CC2 ZINC000527855790 323710565 /nfs/dbraw/zinc/71/05/65/323710565.db2.gz OGMLSZMTSMZIPZ-BXKDBHETSA-N 0 3 237.293 3.243 20 0 BGADHN C[C@H](NCc1ccc(F)cc1F)[C@@H]1CC12CC2 ZINC000527855792 387757646 /nfs/dbraw/zinc/75/76/46/387757646.db2.gz OGMLSZMTSMZIPZ-CABZTGNLSA-N 0 3 237.293 3.243 20 0 BGADHN C[C@H](NCc1ccc(F)cc1F)[C@H]1CC12CC2 ZINC000527855794 323710431 /nfs/dbraw/zinc/71/04/31/323710431.db2.gz OGMLSZMTSMZIPZ-JOYOIKCWSA-N 0 3 237.293 3.243 20 0 BGADHN C[C@@H](NCc1ccc(F)cc1F)[C@@H]1CC12CC2 ZINC000527855796 323709919 /nfs/dbraw/zinc/70/99/19/323709919.db2.gz OGMLSZMTSMZIPZ-SKDRFNHKSA-N 0 3 237.293 3.243 20 0 BGADHN C[C@@H](NCc1cc(F)ccc1F)[C@H]1CC12CC2 ZINC000527857695 387758419 /nfs/dbraw/zinc/75/84/19/387758419.db2.gz DMSXMGVAZRFNRL-BXKDBHETSA-N 0 3 237.293 3.243 20 0 BGADHN C[C@H](NCc1cc(F)ccc1F)[C@@H]1CC12CC2 ZINC000527857697 323710997 /nfs/dbraw/zinc/71/09/97/323710997.db2.gz DMSXMGVAZRFNRL-CABZTGNLSA-N 0 3 237.293 3.243 20 0 BGADHN C[C@H](NCc1cc(F)ccc1F)[C@H]1CC12CC2 ZINC000527857699 323711020 /nfs/dbraw/zinc/71/10/20/323711020.db2.gz DMSXMGVAZRFNRL-JOYOIKCWSA-N 0 3 237.293 3.243 20 0 BGADHN C[C@@H](NCc1cc(F)ccc1F)[C@@H]1CC12CC2 ZINC000527857700 387757756 /nfs/dbraw/zinc/75/77/56/387757756.db2.gz DMSXMGVAZRFNRL-SKDRFNHKSA-N 0 3 237.293 3.243 20 0 BGADHN Cc1csc([C@H](C)N[C@@H](C)[C@@H]2CC23CC3)n1 ZINC000527859850 387760875 /nfs/dbraw/zinc/76/08/75/387760875.db2.gz RMBPHABFWCQTJB-DCAQKATOSA-N 0 3 236.384 3.291 20 0 BGADHN Cc1csc([C@H](C)N[C@@H](C)[C@H]2CC23CC3)n1 ZINC000527859852 387760081 /nfs/dbraw/zinc/76/00/81/387760081.db2.gz RMBPHABFWCQTJB-GARJFASQSA-N 0 3 236.384 3.291 20 0 BGADHN Cc1csc([C@H](C)N[C@H](C)[C@H]2CC23CC3)n1 ZINC000527859853 387760185 /nfs/dbraw/zinc/76/01/85/387760185.db2.gz RMBPHABFWCQTJB-OUAUKWLOSA-N 0 3 236.384 3.291 20 0 BGADHN Cc1csc([C@H](C)N[C@H](C)[C@@H]2CC23CC3)n1 ZINC000527859856 387759281 /nfs/dbraw/zinc/75/92/81/387759281.db2.gz RMBPHABFWCQTJB-VWYCJHECSA-N 0 3 236.384 3.291 20 0 BGADHN COC[C@H](N[C@H](C)[C@@H]1CC12CC2)c1ccc(C)o1 ZINC000527866144 387737133 /nfs/dbraw/zinc/73/71/33/387737133.db2.gz OFRFFUSAYGSPBO-AGIUHOORSA-N 0 3 249.354 3.054 20 0 BGADHN COC[C@H](N[C@@H](C)[C@@H]1CC12CC2)c1ccc(C)o1 ZINC000527866145 387737432 /nfs/dbraw/zinc/73/74/32/387737432.db2.gz OFRFFUSAYGSPBO-AVGNSLFASA-N 0 3 249.354 3.054 20 0 BGADHN COC[C@H](N[C@H](C)[C@H]1CC12CC2)c1ccc(C)o1 ZINC000527866146 387738032 /nfs/dbraw/zinc/73/80/32/387738032.db2.gz OFRFFUSAYGSPBO-UPJWGTAASA-N 0 3 249.354 3.054 20 0 BGADHN COC[C@H](N[C@@H](C)[C@H]1CC12CC2)c1ccc(C)o1 ZINC000527866147 387738484 /nfs/dbraw/zinc/73/84/84/387738484.db2.gz OFRFFUSAYGSPBO-XQQFMLRXSA-N 0 3 249.354 3.054 20 0 BGADHN COc1ccc(CN[C@@H](C)[C@@H]2CC23CC3)c(F)c1 ZINC000527870158 387741377 /nfs/dbraw/zinc/74/13/77/387741377.db2.gz KSJLKUSGCXRPHT-GWCFXTLKSA-N 0 3 249.329 3.113 20 0 BGADHN COc1ccc(CN[C@@H](C)[C@H]2CC23CC3)c(F)c1 ZINC000527870161 387739938 /nfs/dbraw/zinc/73/99/38/387739938.db2.gz KSJLKUSGCXRPHT-GXFFZTMASA-N 0 3 249.329 3.113 20 0 BGADHN COc1ccc(CN[C@H](C)[C@@H]2CC23CC3)c(F)c1 ZINC000527870163 262886270 /nfs/dbraw/zinc/88/62/70/262886270.db2.gz KSJLKUSGCXRPHT-MFKMUULPSA-N 0 3 249.329 3.113 20 0 BGADHN COc1ccc(CN[C@H](C)[C@H]2CC23CC3)c(F)c1 ZINC000527870164 387740071 /nfs/dbraw/zinc/74/00/71/387740071.db2.gz KSJLKUSGCXRPHT-ZWNOBZJWSA-N 0 3 249.329 3.113 20 0 BGADHN C[C@H](NCc1nc(C2CC2)cs1)[C@H]1CC12CC2 ZINC000527871947 323710277 /nfs/dbraw/zinc/71/02/77/323710277.db2.gz KIIQDTIKLAOEKE-GXSJLCMTSA-N 0 3 248.395 3.299 20 0 BGADHN C[C@@H](NCc1nc(C2CC2)cs1)[C@@H]1CC12CC2 ZINC000527871950 387758027 /nfs/dbraw/zinc/75/80/27/387758027.db2.gz KIIQDTIKLAOEKE-KOLCDFICSA-N 0 3 248.395 3.299 20 0 BGADHN C[C@@H](NCc1nc(C2CC2)cs1)[C@H]1CC12CC2 ZINC000527871953 387756841 /nfs/dbraw/zinc/75/68/41/387756841.db2.gz KIIQDTIKLAOEKE-MWLCHTKSSA-N 0 3 248.395 3.299 20 0 BGADHN C[C@H](NCc1nc(C2CC2)cs1)[C@@H]1CC12CC2 ZINC000527871956 323709875 /nfs/dbraw/zinc/70/98/75/323709875.db2.gz KIIQDTIKLAOEKE-ONGXEEELSA-N 0 3 248.395 3.299 20 0 BGADHN CCc1noc(CC)c1CN[C@@H](C)[C@H]1CC12CC2 ZINC000527872121 387745473 /nfs/dbraw/zinc/74/54/73/387745473.db2.gz QSVCJGYRRDDRGM-CMPLNLGQSA-N 0 3 248.370 3.078 20 0 BGADHN CCc1noc(CC)c1CN[C@@H](C)[C@@H]1CC12CC2 ZINC000527872122 387745536 /nfs/dbraw/zinc/74/55/36/387745536.db2.gz QSVCJGYRRDDRGM-JQWIXIFHSA-N 0 3 248.370 3.078 20 0 BGADHN CCc1noc(CC)c1CN[C@H](C)[C@@H]1CC12CC2 ZINC000527872124 387745444 /nfs/dbraw/zinc/74/54/44/387745444.db2.gz QSVCJGYRRDDRGM-PWSUYJOCSA-N 0 3 248.370 3.078 20 0 BGADHN CCc1noc(CC)c1CN[C@H](C)[C@H]1CC12CC2 ZINC000527872125 262887232 /nfs/dbraw/zinc/88/72/32/262887232.db2.gz QSVCJGYRRDDRGM-ZYHUDNBSSA-N 0 3 248.370 3.078 20 0 BGADHN Cc1ccc2c(c1)[C@H](N[C@@H](C)[C@@H]1CC13CC3)CO2 ZINC000527873605 387766304 /nfs/dbraw/zinc/76/63/04/387766304.db2.gz QEPWLJSXNYCPRX-FPMFFAJLSA-N 0 3 243.350 3.207 20 0 BGADHN Cc1ccc2c(c1)[C@H](N[C@@H](C)[C@H]1CC13CC3)CO2 ZINC000527873628 387765233 /nfs/dbraw/zinc/76/52/33/387765233.db2.gz QEPWLJSXNYCPRX-IACUBPJLSA-N 0 3 243.350 3.207 20 0 BGADHN Cc1ccc2c(c1)[C@H](N[C@H](C)[C@@H]1CC13CC3)CO2 ZINC000527873633 387765621 /nfs/dbraw/zinc/76/56/21/387765621.db2.gz QEPWLJSXNYCPRX-KWCYVHTRSA-N 0 3 243.350 3.207 20 0 BGADHN Cc1ccc2c(c1)[C@H](N[C@H](C)[C@H]1CC13CC3)CO2 ZINC000527873636 387765531 /nfs/dbraw/zinc/76/55/31/387765531.db2.gz QEPWLJSXNYCPRX-MRVWCRGKSA-N 0 3 243.350 3.207 20 0 BGADHN C[C@@H](NCc1ccc(Cl)cn1)[C@H]1CC12CC2 ZINC000527875153 262889166 /nfs/dbraw/zinc/88/91/66/262889166.db2.gz ADQACIIOKJAYCS-BXKDBHETSA-N 0 3 236.746 3.013 20 0 BGADHN C[C@H](NCc1ccc(Cl)cn1)[C@@H]1CC12CC2 ZINC000527875156 387768154 /nfs/dbraw/zinc/76/81/54/387768154.db2.gz ADQACIIOKJAYCS-CABZTGNLSA-N 0 3 236.746 3.013 20 0 BGADHN C[C@H](NCc1ccc(Cl)cn1)[C@H]1CC12CC2 ZINC000527875158 387768281 /nfs/dbraw/zinc/76/82/81/387768281.db2.gz ADQACIIOKJAYCS-JOYOIKCWSA-N 0 3 236.746 3.013 20 0 BGADHN C[C@@H](NCc1ccc(Cl)cn1)[C@@H]1CC12CC2 ZINC000527875161 387767036 /nfs/dbraw/zinc/76/70/36/387767036.db2.gz ADQACIIOKJAYCS-SKDRFNHKSA-N 0 3 236.746 3.013 20 0 BGADHN COC[C@@H](C)N[C@H](C)c1cccc(C(C)C)c1 ZINC000527877493 387768292 /nfs/dbraw/zinc/76/82/92/387768292.db2.gz QDEKCSORNYWHOH-CHWSQXEVSA-N 0 3 235.371 3.496 20 0 BGADHN COC[C@@H](C)N[C@@H](C)c1cccc(C(C)C)c1 ZINC000527877494 387768242 /nfs/dbraw/zinc/76/82/42/387768242.db2.gz QDEKCSORNYWHOH-OLZOCXBDSA-N 0 3 235.371 3.496 20 0 BGADHN COc1ccc(F)cc1CN[C@@H](C)[C@@H]1CC12CC2 ZINC000527889668 387774484 /nfs/dbraw/zinc/77/44/84/387774484.db2.gz ARPFCQQBSUDSEO-GWCFXTLKSA-N 0 3 249.329 3.113 20 0 BGADHN COc1ccc(F)cc1CN[C@@H](C)[C@H]1CC12CC2 ZINC000527889669 387774545 /nfs/dbraw/zinc/77/45/45/387774545.db2.gz ARPFCQQBSUDSEO-GXFFZTMASA-N 0 3 249.329 3.113 20 0 BGADHN COc1ccc(F)cc1CN[C@H](C)[C@@H]1CC12CC2 ZINC000527889670 262891521 /nfs/dbraw/zinc/89/15/21/262891521.db2.gz ARPFCQQBSUDSEO-MFKMUULPSA-N 0 3 249.329 3.113 20 0 BGADHN COc1ccc(F)cc1CN[C@H](C)[C@H]1CC12CC2 ZINC000527889671 387773979 /nfs/dbraw/zinc/77/39/79/387773979.db2.gz ARPFCQQBSUDSEO-ZWNOBZJWSA-N 0 3 249.329 3.113 20 0 BGADHN CC[C@@H](NCCF)c1cc(C)ccc1C ZINC000527896644 262892520 /nfs/dbraw/zinc/89/25/20/262892520.db2.gz SKGCXTFFRXUUOI-CYBMUJFWSA-N 0 3 209.308 3.314 20 0 BGADHN CC[C@H](NCCF)c1cc(C)ccc1C ZINC000527896647 387778029 /nfs/dbraw/zinc/77/80/29/387778029.db2.gz SKGCXTFFRXUUOI-ZDUSSCGKSA-N 0 3 209.308 3.314 20 0 BGADHN CC(C)c1cccc([C@@H](C)NCCF)c1 ZINC000527896764 387777251 /nfs/dbraw/zinc/77/72/51/387777251.db2.gz TYACVCNVIDHHBQ-LLVKDONJSA-N 0 3 209.308 3.430 20 0 BGADHN CC(C)c1cccc([C@H](C)NCCF)c1 ZINC000527896767 387778382 /nfs/dbraw/zinc/77/83/82/387778382.db2.gz TYACVCNVIDHHBQ-NSHDSACASA-N 0 3 209.308 3.430 20 0 BGADHN Cc1cccc([C@H](NCCF)C(C)C)c1 ZINC000527897431 387777919 /nfs/dbraw/zinc/77/79/19/387777919.db2.gz UWQJSKXAGYSWHU-CYBMUJFWSA-N 0 3 209.308 3.251 20 0 BGADHN Cc1cccc([C@@H](NCCF)C(C)C)c1 ZINC000527897432 262892773 /nfs/dbraw/zinc/89/27/73/262892773.db2.gz UWQJSKXAGYSWHU-ZDUSSCGKSA-N 0 3 209.308 3.251 20 0 BGADHN CCCc1nc(C)c(CN[C@@H](C)[C@H]2CC23CC3)o1 ZINC000527902325 262893347 /nfs/dbraw/zinc/89/33/47/262893347.db2.gz OGGCQPMAJTXAIX-CMPLNLGQSA-N 0 3 248.370 3.214 20 0 BGADHN CCCc1nc(C)c(CN[C@@H](C)[C@@H]2CC23CC3)o1 ZINC000527902326 387779138 /nfs/dbraw/zinc/77/91/38/387779138.db2.gz OGGCQPMAJTXAIX-JQWIXIFHSA-N 0 3 248.370 3.214 20 0 BGADHN CCCc1nc(C)c(CN[C@H](C)[C@@H]2CC23CC3)o1 ZINC000527902328 387779745 /nfs/dbraw/zinc/77/97/45/387779745.db2.gz OGGCQPMAJTXAIX-PWSUYJOCSA-N 0 3 248.370 3.214 20 0 BGADHN CCCc1nc(C)c(CN[C@H](C)[C@H]2CC23CC3)o1 ZINC000527902330 387780070 /nfs/dbraw/zinc/78/00/70/387780070.db2.gz OGGCQPMAJTXAIX-ZYHUDNBSSA-N 0 3 248.370 3.214 20 0 BGADHN CC[C@@H](C)c1ccc([C@@H](C)N[C@H]2C[C@@H](O)C2)cc1 ZINC000527904086 387759674 /nfs/dbraw/zinc/75/96/74/387759674.db2.gz BOGHPQKQKHHBRJ-BHTHQVBYSA-N 0 3 247.382 3.374 20 0 BGADHN CC[C@H](C)c1ccc([C@H](C)N[C@H]2C[C@@H](O)C2)cc1 ZINC000527904088 387760930 /nfs/dbraw/zinc/76/09/30/387760930.db2.gz BOGHPQKQKHHBRJ-GVAFMPQTSA-N 0 3 247.382 3.374 20 0 BGADHN CC[C@@H](C)c1ccc([C@H](C)N[C@H]2C[C@@H](O)C2)cc1 ZINC000527904090 323714175 /nfs/dbraw/zinc/71/41/75/323714175.db2.gz BOGHPQKQKHHBRJ-KOZAUXTDSA-N 0 3 247.382 3.374 20 0 BGADHN CC[C@H](C)c1ccc([C@@H](C)N[C@H]2C[C@@H](O)C2)cc1 ZINC000527904091 323713759 /nfs/dbraw/zinc/71/37/59/323713759.db2.gz BOGHPQKQKHHBRJ-SHUKQUCYSA-N 0 3 247.382 3.374 20 0 BGADHN CC(C)c1cccc([C@H](C)N[C@H]2C[C@@](C)(O)C2)c1 ZINC000527911820 387763819 /nfs/dbraw/zinc/76/38/19/387763819.db2.gz SLYLXDFWJMTMHK-VBNZEHGJSA-N 0 3 247.382 3.374 20 0 BGADHN CC(C)c1cccc([C@@H](C)N[C@H]2C[C@@](C)(O)C2)c1 ZINC000527911824 323720256 /nfs/dbraw/zinc/72/02/56/323720256.db2.gz SLYLXDFWJMTMHK-WQVCFCJDSA-N 0 3 247.382 3.374 20 0 BGADHN C[C@H](N[C@@H]1C[C@@]1(F)c1ccccc1)[C@H]1CC12CC2 ZINC000527912845 387765217 /nfs/dbraw/zinc/76/52/17/387765217.db2.gz VVMSQYJFKGCAPT-ADSMDIBLSA-N 0 3 245.341 3.402 20 0 BGADHN C[C@H](N[C@@H]1C[C@]1(F)c1ccccc1)[C@H]1CC12CC2 ZINC000527912847 387765914 /nfs/dbraw/zinc/76/59/14/387765914.db2.gz VVMSQYJFKGCAPT-DCDXPUDHSA-N 0 3 245.341 3.402 20 0 BGADHN C[C@H](N[C@@H]1C[C@@]1(F)c1ccccc1)[C@@H]1CC12CC2 ZINC000527912849 387766159 /nfs/dbraw/zinc/76/61/59/387766159.db2.gz VVMSQYJFKGCAPT-YYWXWVFPSA-N 0 3 245.341 3.402 20 0 BGADHN C[C@H](N[C@@H]1C[C@]1(F)c1ccccc1)[C@@H]1CC12CC2 ZINC000527912851 387765950 /nfs/dbraw/zinc/76/59/50/387765950.db2.gz VVMSQYJFKGCAPT-ZIEJDFEHSA-N 0 3 245.341 3.402 20 0 BGADHN C[C@@H](NCC[C@H]1CCCC1(C)C)c1cnccn1 ZINC000527913792 387786909 /nfs/dbraw/zinc/78/69/09/387786909.db2.gz BMVIZFNXFSVNSC-CHWSQXEVSA-N 0 3 247.386 3.344 20 0 BGADHN C[C@@H](NCC[C@@H]1CCCC1(C)C)c1cnccn1 ZINC000527913794 387786417 /nfs/dbraw/zinc/78/64/17/387786417.db2.gz BMVIZFNXFSVNSC-OLZOCXBDSA-N 0 3 247.386 3.344 20 0 BGADHN C[C@H](NCC[C@H]1CCCC1(C)C)c1cnccn1 ZINC000527913796 387786478 /nfs/dbraw/zinc/78/64/78/387786478.db2.gz BMVIZFNXFSVNSC-QWHCGFSZSA-N 0 3 247.386 3.344 20 0 BGADHN C[C@H](NCC[C@@H]1CCCC1(C)C)c1cnccn1 ZINC000527913798 387787124 /nfs/dbraw/zinc/78/71/24/387787124.db2.gz BMVIZFNXFSVNSC-STQMWFEESA-N 0 3 247.386 3.344 20 0 BGADHN C[C@@H](NCC[C@H]1CCCC1(C)C)c1ccncn1 ZINC000527915386 387785795 /nfs/dbraw/zinc/78/57/95/387785795.db2.gz FUTBVSHZIOQFFP-CHWSQXEVSA-N 0 3 247.386 3.344 20 0 BGADHN C[C@@H](NCC[C@@H]1CCCC1(C)C)c1ccncn1 ZINC000527915392 387786189 /nfs/dbraw/zinc/78/61/89/387786189.db2.gz FUTBVSHZIOQFFP-OLZOCXBDSA-N 0 3 247.386 3.344 20 0 BGADHN C[C@H](NCC[C@H]1CCCC1(C)C)c1ccncn1 ZINC000527915396 387786037 /nfs/dbraw/zinc/78/60/37/387786037.db2.gz FUTBVSHZIOQFFP-QWHCGFSZSA-N 0 3 247.386 3.344 20 0 BGADHN C[C@H](NCC[C@@H]1CCCC1(C)C)c1ccncn1 ZINC000527915400 387786236 /nfs/dbraw/zinc/78/62/36/387786236.db2.gz FUTBVSHZIOQFFP-STQMWFEESA-N 0 3 247.386 3.344 20 0 BGADHN C[C@@H](NCC[C@H]1CCCC1(C)C)c1nccn1C ZINC000527918918 387787808 /nfs/dbraw/zinc/78/78/08/387787808.db2.gz PJJUEKKNCJXGGS-CHWSQXEVSA-N 0 3 249.402 3.287 20 0 BGADHN C[C@@H](NCC[C@@H]1CCCC1(C)C)c1nccn1C ZINC000527918920 262894877 /nfs/dbraw/zinc/89/48/77/262894877.db2.gz PJJUEKKNCJXGGS-OLZOCXBDSA-N 0 3 249.402 3.287 20 0 BGADHN C[C@H](NCC[C@H]1CCCC1(C)C)c1nccn1C ZINC000527918922 387787745 /nfs/dbraw/zinc/78/77/45/387787745.db2.gz PJJUEKKNCJXGGS-QWHCGFSZSA-N 0 3 249.402 3.287 20 0 BGADHN C[C@H](NCC[C@@H]1CCCC1(C)C)c1nccn1C ZINC000527918923 262894860 /nfs/dbraw/zinc/89/48/60/262894860.db2.gz PJJUEKKNCJXGGS-STQMWFEESA-N 0 3 249.402 3.287 20 0 BGADHN CC1(C)CCC[C@@H]1CCN[C@@H]1CCn2ccnc21 ZINC000527918952 387788575 /nfs/dbraw/zinc/78/85/75/387788575.db2.gz POIWQTCQYPNOOB-CHWSQXEVSA-N 0 3 247.386 3.134 20 0 BGADHN CC1(C)CCC[C@@H]1CCN[C@H]1CCn2ccnc21 ZINC000527918954 387787706 /nfs/dbraw/zinc/78/77/06/387787706.db2.gz POIWQTCQYPNOOB-OLZOCXBDSA-N 0 3 247.386 3.134 20 0 BGADHN CC1(C)CCC[C@H]1CCN[C@@H]1CCn2ccnc21 ZINC000527918956 387787927 /nfs/dbraw/zinc/78/79/27/387787927.db2.gz POIWQTCQYPNOOB-QWHCGFSZSA-N 0 3 247.386 3.134 20 0 BGADHN CC1(C)CCC[C@H]1CCN[C@H]1CCn2ccnc21 ZINC000527918957 387788045 /nfs/dbraw/zinc/78/80/45/387788045.db2.gz POIWQTCQYPNOOB-STQMWFEESA-N 0 3 247.386 3.134 20 0 BGADHN C[C@@H](NCC[C@H]1CCCC1(C)C)c1ccn(C)n1 ZINC000527919944 387788978 /nfs/dbraw/zinc/78/89/78/387788978.db2.gz VGAHMIYWNZJJIE-CHWSQXEVSA-N 0 3 249.402 3.287 20 0 BGADHN C[C@@H](NCC[C@@H]1CCCC1(C)C)c1ccn(C)n1 ZINC000527919946 387789943 /nfs/dbraw/zinc/78/99/43/387789943.db2.gz VGAHMIYWNZJJIE-OLZOCXBDSA-N 0 3 249.402 3.287 20 0 BGADHN C[C@H](NCC[C@H]1CCCC1(C)C)c1ccn(C)n1 ZINC000527919948 387789130 /nfs/dbraw/zinc/78/91/30/387789130.db2.gz VGAHMIYWNZJJIE-QWHCGFSZSA-N 0 3 249.402 3.287 20 0 BGADHN C[C@H](NCC[C@@H]1CCCC1(C)C)c1ccn(C)n1 ZINC000527919949 387789640 /nfs/dbraw/zinc/78/96/40/387789640.db2.gz VGAHMIYWNZJJIE-STQMWFEESA-N 0 3 249.402 3.287 20 0 BGADHN COCCC1CCN([C@H](C)c2ccoc2)CC1 ZINC000527931024 387794739 /nfs/dbraw/zinc/79/47/39/387794739.db2.gz BARIBVMBTHNUAZ-GFCCVEGCSA-N 0 3 237.343 3.089 20 0 BGADHN COCCC1CCN([C@@H](C)c2ccoc2)CC1 ZINC000527931034 387794958 /nfs/dbraw/zinc/79/49/58/387794958.db2.gz BARIBVMBTHNUAZ-LBPRGKRZSA-N 0 3 237.343 3.089 20 0 BGADHN Cc1ccc([C@@H](C)NCC[C@H]2CCCOC2)o1 ZINC000527931672 387794903 /nfs/dbraw/zinc/79/49/03/387794903.db2.gz UBFPSBMTDGGSBG-CHWSQXEVSA-N 0 3 237.343 3.055 20 0 BGADHN Cc1ccc([C@@H](C)NCC[C@@H]2CCCOC2)o1 ZINC000527931691 387795076 /nfs/dbraw/zinc/79/50/76/387795076.db2.gz UBFPSBMTDGGSBG-OLZOCXBDSA-N 0 3 237.343 3.055 20 0 BGADHN Cc1ccc([C@H](C)NCC[C@H]2CCCOC2)o1 ZINC000527931694 262895999 /nfs/dbraw/zinc/89/59/99/262895999.db2.gz UBFPSBMTDGGSBG-QWHCGFSZSA-N 0 3 237.343 3.055 20 0 BGADHN Cc1ccc([C@H](C)NCC[C@@H]2CCCOC2)o1 ZINC000527931696 387794890 /nfs/dbraw/zinc/79/48/90/387794890.db2.gz UBFPSBMTDGGSBG-STQMWFEESA-N 0 3 237.343 3.055 20 0 BGADHN COCCC1CCN([C@H](C)c2ccco2)CC1 ZINC000527936882 262896938 /nfs/dbraw/zinc/89/69/38/262896938.db2.gz SKIYFPQSKSSZIX-GFCCVEGCSA-N 0 3 237.343 3.089 20 0 BGADHN COCCC1CCN([C@@H](C)c2ccco2)CC1 ZINC000527936886 387796659 /nfs/dbraw/zinc/79/66/59/387796659.db2.gz SKIYFPQSKSSZIX-LBPRGKRZSA-N 0 3 237.343 3.089 20 0 BGADHN Cc1nc([C@@H](C)NCC2CC=CC2)c(C)s1 ZINC000527942911 387781106 /nfs/dbraw/zinc/78/11/06/387781106.db2.gz HEQUKWSYMAIBBG-SECBINFHSA-N 0 3 236.384 3.377 20 0 BGADHN Cc1nc([C@H](C)NCC2CC=CC2)c(C)s1 ZINC000527942914 323721605 /nfs/dbraw/zinc/72/16/05/323721605.db2.gz HEQUKWSYMAIBBG-VIFPVBQESA-N 0 3 236.384 3.377 20 0 BGADHN C[C@H](NCC1CC=CC1)c1ccncc1Cl ZINC000527947675 387783550 /nfs/dbraw/zinc/78/35/50/387783550.db2.gz KCOVFJVVXILPRS-JTQLQIEISA-N 0 3 236.746 3.352 20 0 BGADHN C[C@@H](NCC1CC=CC1)c1ccncc1Cl ZINC000527947679 387782837 /nfs/dbraw/zinc/78/28/37/387782837.db2.gz KCOVFJVVXILPRS-SNVBAGLBSA-N 0 3 236.746 3.352 20 0 BGADHN CCO[C@@]1(C)C[C@H]1N[C@@H](C)c1cccc(F)c1 ZINC000527972654 387813148 /nfs/dbraw/zinc/81/31/48/387813148.db2.gz CBCQCBKULYBPAJ-GDLCADMTSA-N 0 3 237.318 3.044 20 0 BGADHN CCO[C@@]1(C)C[C@H]1N[C@H](C)c1cccc(F)c1 ZINC000527972656 387813491 /nfs/dbraw/zinc/81/34/91/387813491.db2.gz CBCQCBKULYBPAJ-HONMWMINSA-N 0 3 237.318 3.044 20 0 BGADHN CCO[C@@]1(C)C[C@H]1N[C@H](c1ccccc1)C1CC1 ZINC000527972658 387812817 /nfs/dbraw/zinc/81/28/17/387812817.db2.gz CCMOLIJXBLJSDD-OAGGEKHMSA-N 0 3 245.366 3.295 20 0 BGADHN CCO[C@@]1(C)C[C@H]1N[C@@H](c1ccccc1)C1CC1 ZINC000527972661 262901237 /nfs/dbraw/zinc/90/12/37/262901237.db2.gz CCMOLIJXBLJSDD-PMPSAXMXSA-N 0 3 245.366 3.295 20 0 BGADHN CCO[C@@]1(C)C[C@H]1N[C@H](CC)c1cccs1 ZINC000527974011 387813321 /nfs/dbraw/zinc/81/33/21/387813321.db2.gz JSNWJEPAOAPHIF-RTXFEEFZSA-N 0 3 239.384 3.356 20 0 BGADHN CCO[C@@]1(C)C[C@H]1N[C@@H](CC)c1cccs1 ZINC000527974012 387813358 /nfs/dbraw/zinc/81/33/58/387813358.db2.gz JSNWJEPAOAPHIF-UHTWSYAYSA-N 0 3 239.384 3.356 20 0 BGADHN CCO[C@@]1(C)C[C@H]1N[C@H](C)c1ccc(C)s1 ZINC000527974015 387812906 /nfs/dbraw/zinc/81/29/06/387812906.db2.gz JTLBVORQNHOZPY-RTXFEEFZSA-N 0 3 239.384 3.275 20 0 BGADHN CCO[C@@]1(C)C[C@H]1N[C@@H](C)c1ccc(C)s1 ZINC000527974016 262901175 /nfs/dbraw/zinc/90/11/75/262901175.db2.gz JTLBVORQNHOZPY-UHTWSYAYSA-N 0 3 239.384 3.275 20 0 BGADHN CCC[C@@H](N[C@@H]1C[C@]1(C)OCC)c1ccccn1 ZINC000527974139 387813764 /nfs/dbraw/zinc/81/37/64/387813764.db2.gz LIVIGWOGCBNNNZ-KFWWJZLASA-N 0 3 248.370 3.080 20 0 BGADHN CCC[C@H](N[C@@H]1C[C@]1(C)OCC)c1ccccn1 ZINC000527974140 387813007 /nfs/dbraw/zinc/81/30/07/387813007.db2.gz LIVIGWOGCBNNNZ-ZNMIVQPWSA-N 0 3 248.370 3.080 20 0 BGADHN CCO[C@@]1(C)C[C@H]1N[C@@H](C)c1ccc(F)cc1 ZINC000527974802 262900978 /nfs/dbraw/zinc/90/09/78/262900978.db2.gz PKGPAWRHCLVXLA-GDLCADMTSA-N 0 3 237.318 3.044 20 0 BGADHN CCO[C@@]1(C)C[C@H]1N[C@H](C)c1ccc(F)cc1 ZINC000527974804 387812846 /nfs/dbraw/zinc/81/28/46/387812846.db2.gz PKGPAWRHCLVXLA-HONMWMINSA-N 0 3 237.318 3.044 20 0 BGADHN CCO[C@@]1(C)C[C@H]1N[C@@H](C)c1sccc1C ZINC000527975056 262901377 /nfs/dbraw/zinc/90/13/77/262901377.db2.gz QUXQVBNHFPGPNF-LOWVWBTDSA-N 0 3 239.384 3.275 20 0 BGADHN CCO[C@@]1(C)C[C@H]1N[C@H](C)c1sccc1C ZINC000527975058 387814254 /nfs/dbraw/zinc/81/42/54/387814254.db2.gz QUXQVBNHFPGPNF-WZRBSPASSA-N 0 3 239.384 3.275 20 0 BGADHN CCO[C@@]1(C)C[C@H]1N[C@@H](C)c1cc(C)oc1C ZINC000527975416 387816049 /nfs/dbraw/zinc/81/60/49/387816049.db2.gz XCHVNBMUBDXLMX-GDLCADMTSA-N 0 3 237.343 3.115 20 0 BGADHN CCO[C@@]1(C)C[C@H]1N[C@H](C)c1cc(C)oc1C ZINC000527975417 387816187 /nfs/dbraw/zinc/81/61/87/387816187.db2.gz XCHVNBMUBDXLMX-HONMWMINSA-N 0 3 237.343 3.115 20 0 BGADHN CCO[C@@]1(C)C[C@H]1N[C@H](CC)c1ccsc1 ZINC000527975759 323738473 /nfs/dbraw/zinc/73/84/73/323738473.db2.gz ASYGBMVXISMUDQ-UPJWGTAASA-N 0 3 239.384 3.356 20 0 BGADHN CCO[C@@]1(C)C[C@H]1N[C@@H](CC)c1ccsc1 ZINC000527975761 323738402 /nfs/dbraw/zinc/73/84/02/323738402.db2.gz ASYGBMVXISMUDQ-XQQFMLRXSA-N 0 3 239.384 3.356 20 0 BGADHN CCn1ccnc1[C@H](C)NCC[C@H]1CC=CCC1 ZINC000527975861 323738412 /nfs/dbraw/zinc/73/84/12/323738412.db2.gz AOCFVOREYGEXGA-KBPBESRZSA-N 0 3 247.386 3.300 20 0 BGADHN CCn1ccnc1[C@@H](C)NCC[C@H]1CC=CCC1 ZINC000527975862 323738034 /nfs/dbraw/zinc/73/80/34/323738034.db2.gz AOCFVOREYGEXGA-KGLIPLIRSA-N 0 3 247.386 3.300 20 0 BGADHN CCn1ccnc1[C@H](C)NCC[C@@H]1CC=CCC1 ZINC000527975863 387816430 /nfs/dbraw/zinc/81/64/30/387816430.db2.gz AOCFVOREYGEXGA-UONOGXRCSA-N 0 3 247.386 3.300 20 0 BGADHN CCn1ccnc1[C@@H](C)NCC[C@@H]1CC=CCC1 ZINC000527975864 323738360 /nfs/dbraw/zinc/73/83/60/323738360.db2.gz AOCFVOREYGEXGA-ZIAGYGMSSA-N 0 3 247.386 3.300 20 0 BGADHN CC[C@H](NCC12CC(C1)CO2)c1ccccc1F ZINC000527976353 387816176 /nfs/dbraw/zinc/81/61/76/387816176.db2.gz BCTYJDWVMVEYAN-WPBUFGDCSA-N 0 3 249.329 3.045 20 0 BGADHN CC[C@@H](NCC12CC(C1)CO2)c1ccccc1F ZINC000527976357 387815683 /nfs/dbraw/zinc/81/56/83/387815683.db2.gz BCTYJDWVMVEYAN-XGTXGMFGSA-N 0 3 249.329 3.045 20 0 BGADHN CCC[C@@H](N[C@@H]1C[C@]1(C)OCC)c1cccnc1 ZINC000527978541 387816964 /nfs/dbraw/zinc/81/69/64/387816964.db2.gz KNEAMXXYCIRJQZ-KFWWJZLASA-N 0 3 248.370 3.080 20 0 BGADHN CCC[C@H](N[C@@H]1C[C@]1(C)OCC)c1cccnc1 ZINC000527978544 387817515 /nfs/dbraw/zinc/81/75/15/387817515.db2.gz KNEAMXXYCIRJQZ-ZNMIVQPWSA-N 0 3 248.370 3.080 20 0 BGADHN Cc1cc([C@@H](C)NCC[C@@H]2CC=CCC2)no1 ZINC000527980028 387797872 /nfs/dbraw/zinc/79/78/72/387797872.db2.gz PHCOGXLPCQPVBN-CHWSQXEVSA-N 0 3 234.343 3.380 20 0 BGADHN Cc1cc([C@@H](C)NCC[C@H]2CC=CCC2)no1 ZINC000527980029 387797793 /nfs/dbraw/zinc/79/77/93/387797793.db2.gz PHCOGXLPCQPVBN-OLZOCXBDSA-N 0 3 234.343 3.380 20 0 BGADHN Cc1cc([C@H](C)NCC[C@@H]2CC=CCC2)no1 ZINC000527980030 387798402 /nfs/dbraw/zinc/79/84/02/387798402.db2.gz PHCOGXLPCQPVBN-QWHCGFSZSA-N 0 3 234.343 3.380 20 0 BGADHN Cc1cc([C@H](C)NCC[C@H]2CC=CCC2)no1 ZINC000527980031 387798658 /nfs/dbraw/zinc/79/86/58/387798658.db2.gz PHCOGXLPCQPVBN-STQMWFEESA-N 0 3 234.343 3.380 20 0 BGADHN CCO[C@@]1(C)C[C@H]1N[C@H](C)c1csc(C)c1 ZINC000527981513 387798302 /nfs/dbraw/zinc/79/83/02/387798302.db2.gz SPSJVDXKSFSYAB-RTXFEEFZSA-N 0 3 239.384 3.275 20 0 BGADHN CCO[C@@]1(C)C[C@H]1N[C@@H](C)c1csc(C)c1 ZINC000527981515 387798249 /nfs/dbraw/zinc/79/82/49/387798249.db2.gz SPSJVDXKSFSYAB-UHTWSYAYSA-N 0 3 239.384 3.275 20 0 BGADHN Cc1nccnc1[C@H](C)NCC[C@@H]1CC=CCC1 ZINC000527982594 387800084 /nfs/dbraw/zinc/80/00/84/387800084.db2.gz UKFNWTXWARQBON-GXTWGEPZSA-N 0 3 245.370 3.182 20 0 BGADHN Cc1nccnc1[C@H](C)NCC[C@H]1CC=CCC1 ZINC000527982595 387799575 /nfs/dbraw/zinc/79/95/75/387799575.db2.gz UKFNWTXWARQBON-JSGCOSHPSA-N 0 3 245.370 3.182 20 0 BGADHN Cc1nccnc1[C@@H](C)NCC[C@H]1CC=CCC1 ZINC000527982596 387800661 /nfs/dbraw/zinc/80/06/61/387800661.db2.gz UKFNWTXWARQBON-OCCSQVGLSA-N 0 3 245.370 3.182 20 0 BGADHN Cc1nccnc1[C@@H](C)NCC[C@@H]1CC=CCC1 ZINC000527982597 387799414 /nfs/dbraw/zinc/79/94/14/387799414.db2.gz UKFNWTXWARQBON-TZMCWYRMSA-N 0 3 245.370 3.182 20 0 BGADHN Cc1cc([C@H](C)NCC[C@H]2CC=CCC2)nn1C ZINC000527982605 387800706 /nfs/dbraw/zinc/80/07/06/387800706.db2.gz UPIUWJSEBXMAMW-KBPBESRZSA-N 0 3 247.386 3.126 20 0 BGADHN Cc1cc([C@@H](C)NCC[C@H]2CC=CCC2)nn1C ZINC000527982606 387799682 /nfs/dbraw/zinc/79/96/82/387799682.db2.gz UPIUWJSEBXMAMW-KGLIPLIRSA-N 0 3 247.386 3.126 20 0 BGADHN Cc1cc([C@H](C)NCC[C@@H]2CC=CCC2)nn1C ZINC000527982607 387800631 /nfs/dbraw/zinc/80/06/31/387800631.db2.gz UPIUWJSEBXMAMW-UONOGXRCSA-N 0 3 247.386 3.126 20 0 BGADHN Cc1cc([C@@H](C)NCC[C@@H]2CC=CCC2)nn1C ZINC000527982608 387800171 /nfs/dbraw/zinc/80/01/71/387800171.db2.gz UPIUWJSEBXMAMW-ZIAGYGMSSA-N 0 3 247.386 3.126 20 0 BGADHN CC[C@H](NCC[C@H]1CC=CCC1)c1ccn(C)n1 ZINC000527982613 262897987 /nfs/dbraw/zinc/89/79/87/262897987.db2.gz UTLSGQVQKPNINC-KBPBESRZSA-N 0 3 247.386 3.207 20 0 BGADHN CC[C@H](NCC[C@@H]1CC=CCC1)c1ccn(C)n1 ZINC000527982614 387800797 /nfs/dbraw/zinc/80/07/97/387800797.db2.gz UTLSGQVQKPNINC-KGLIPLIRSA-N 0 3 247.386 3.207 20 0 BGADHN CC[C@@H](NCC[C@H]1CC=CCC1)c1ccn(C)n1 ZINC000527982615 387800156 /nfs/dbraw/zinc/80/01/56/387800156.db2.gz UTLSGQVQKPNINC-UONOGXRCSA-N 0 3 247.386 3.207 20 0 BGADHN CC[C@@H](NCC[C@@H]1CC=CCC1)c1ccn(C)n1 ZINC000527982616 387800742 /nfs/dbraw/zinc/80/07/42/387800742.db2.gz UTLSGQVQKPNINC-ZIAGYGMSSA-N 0 3 247.386 3.207 20 0 BGADHN C[C@@H]1C[C@@H](NCC[C@H]2CC=CCC2)c2nccn21 ZINC000527983178 387799549 /nfs/dbraw/zinc/79/95/49/387799549.db2.gz VJTCUNHJIZJICQ-HZSPNIEDSA-N 0 3 245.370 3.225 20 0 BGADHN C[C@@H]1C[C@H](NCC[C@@H]2CC=CCC2)c2nccn21 ZINC000527983180 387799555 /nfs/dbraw/zinc/79/95/55/387799555.db2.gz VJTCUNHJIZJICQ-MCIONIFRSA-N 0 3 245.370 3.225 20 0 BGADHN C[C@@H]1C[C@@H](NCC[C@@H]2CC=CCC2)c2nccn21 ZINC000527983181 387800069 /nfs/dbraw/zinc/80/00/69/387800069.db2.gz VJTCUNHJIZJICQ-MGPQQGTHSA-N 0 3 245.370 3.225 20 0 BGADHN C[C@@H]1C[C@H](NCC[C@H]2CC=CCC2)c2nccn21 ZINC000527983183 387799585 /nfs/dbraw/zinc/79/95/85/387799585.db2.gz VJTCUNHJIZJICQ-RDBSUJKOSA-N 0 3 245.370 3.225 20 0 BGADHN C[C@H](NCC[C@H]1CC=CCC1)c1ccccn1 ZINC000527984933 387801657 /nfs/dbraw/zinc/80/16/57/387801657.db2.gz LYYBWLIZRIDGSL-KBPBESRZSA-N 0 3 230.355 3.479 20 0 BGADHN C[C@@H](NCC[C@H]1CC=CCC1)c1ccccn1 ZINC000527984938 387802771 /nfs/dbraw/zinc/80/27/71/387802771.db2.gz LYYBWLIZRIDGSL-KGLIPLIRSA-N 0 3 230.355 3.479 20 0 BGADHN C[C@H](NCC[C@@H]1CC=CCC1)c1ccccn1 ZINC000527984944 387802626 /nfs/dbraw/zinc/80/26/26/387802626.db2.gz LYYBWLIZRIDGSL-UONOGXRCSA-N 0 3 230.355 3.479 20 0 BGADHN C[C@@H](NCC[C@@H]1CC=CCC1)c1ccccn1 ZINC000527984950 387802846 /nfs/dbraw/zinc/80/28/46/387802846.db2.gz LYYBWLIZRIDGSL-ZIAGYGMSSA-N 0 3 230.355 3.479 20 0 BGADHN CC[C@H](NCC[C@H]1CC=CCC1)c1nccn1C ZINC000527988944 387803734 /nfs/dbraw/zinc/80/37/34/387803734.db2.gz ZKHCLYMXWUMXFZ-KBPBESRZSA-N 0 3 247.386 3.207 20 0 BGADHN CC[C@H](NCC[C@@H]1CC=CCC1)c1nccn1C ZINC000527988947 262898738 /nfs/dbraw/zinc/89/87/38/262898738.db2.gz ZKHCLYMXWUMXFZ-KGLIPLIRSA-N 0 3 247.386 3.207 20 0 BGADHN CC[C@@H](NCC[C@H]1CC=CCC1)c1nccn1C ZINC000527988950 387803849 /nfs/dbraw/zinc/80/38/49/387803849.db2.gz ZKHCLYMXWUMXFZ-UONOGXRCSA-N 0 3 247.386 3.207 20 0 BGADHN CC[C@@H](NCC[C@@H]1CC=CCC1)c1nccn1C ZINC000527988952 262899025 /nfs/dbraw/zinc/89/90/25/262899025.db2.gz ZKHCLYMXWUMXFZ-ZIAGYGMSSA-N 0 3 247.386 3.207 20 0 BGADHN CC(C)O[C@@]1(C)C[C@H]1N[C@@H]1CCc2ccccc21 ZINC000527995618 387805070 /nfs/dbraw/zinc/80/50/70/387805070.db2.gz AUBFKBNGBQNGMP-OAGGEKHMSA-N 0 3 245.366 3.220 20 0 BGADHN CC(C)O[C@@]1(C)C[C@H]1N[C@H]1CCc2ccccc21 ZINC000527995620 387805529 /nfs/dbraw/zinc/80/55/29/387805529.db2.gz AUBFKBNGBQNGMP-XHSDSOJGSA-N 0 3 245.366 3.220 20 0 BGADHN CC(C)O[C@@]1(C)C[C@H]1N[C@H](C)c1cccs1 ZINC000527996153 387805744 /nfs/dbraw/zinc/80/57/44/387805744.db2.gz COEFPTZIBYSWPI-RTXFEEFZSA-N 0 3 239.384 3.355 20 0 BGADHN CC(C)O[C@@]1(C)C[C@H]1N[C@@H](C)c1cccs1 ZINC000527996157 323733767 /nfs/dbraw/zinc/73/37/67/323733767.db2.gz COEFPTZIBYSWPI-UHTWSYAYSA-N 0 3 239.384 3.355 20 0 BGADHN CC(C)O[C@@]1(C)C[C@H]1N[C@@H](C)c1ccccc1 ZINC000527997605 323733759 /nfs/dbraw/zinc/73/37/59/323733759.db2.gz IXBWKGGKWADAOT-CFVMTHIKSA-N 0 3 233.355 3.293 20 0 BGADHN CC(C)O[C@@]1(C)C[C@H]1N[C@H](C)c1ccccc1 ZINC000527997608 323733737 /nfs/dbraw/zinc/73/37/37/323733737.db2.gz IXBWKGGKWADAOT-YUELXQCFSA-N 0 3 233.355 3.293 20 0 BGADHN CC(C)O[C@@]1(C)C[C@H]1N[C@H](C)c1ccsc1 ZINC000527998309 387805476 /nfs/dbraw/zinc/80/54/76/387805476.db2.gz LVOFZEXLIXTGBC-RTXFEEFZSA-N 0 3 239.384 3.355 20 0 BGADHN CC(C)O[C@@]1(C)C[C@H]1N[C@@H](C)c1ccsc1 ZINC000527998311 387806193 /nfs/dbraw/zinc/80/61/93/387806193.db2.gz LVOFZEXLIXTGBC-UHTWSYAYSA-N 0 3 239.384 3.355 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)o1 ZINC000528003920 387809669 /nfs/dbraw/zinc/80/96/69/387809669.db2.gz PPCJYUBPJIDNRR-FGPLHTHASA-N 0 3 237.343 3.051 20 0 BGADHN Cc1ccc([C@H](C)N[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)o1 ZINC000528003926 387809766 /nfs/dbraw/zinc/80/97/66/387809766.db2.gz PPCJYUBPJIDNRR-HNRZYHPDSA-N 0 3 237.343 3.051 20 0 BGADHN Cc1ccc([C@H](C)N[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)o1 ZINC000528003927 387809605 /nfs/dbraw/zinc/80/96/05/387809605.db2.gz PPCJYUBPJIDNRR-JNLQPACOSA-N 0 3 237.343 3.051 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)o1 ZINC000528003929 387809945 /nfs/dbraw/zinc/80/99/45/387809945.db2.gz PPCJYUBPJIDNRR-MOWSAHLDSA-N 0 3 237.343 3.051 20 0 BGADHN C[C@H](N[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)c1ccsc1 ZINC000528006171 387820933 /nfs/dbraw/zinc/82/09/33/387820933.db2.gz WOKXMIXVFLQEAI-JPYZYGQNSA-N 0 3 239.384 3.211 20 0 BGADHN C[C@H](N[C@@H]1[C@H](C)O[C@H](C)[C@H]1C)c1ccsc1 ZINC000528006173 387820113 /nfs/dbraw/zinc/82/01/13/387820113.db2.gz WOKXMIXVFLQEAI-OQEOFVATSA-N 0 3 239.384 3.211 20 0 BGADHN C[C@H](N[C@H]1[C@@H](C)[C@H](C)O[C@H]1C)c1ccsc1 ZINC000528006174 323746031 /nfs/dbraw/zinc/74/60/31/323746031.db2.gz WOKXMIXVFLQEAI-XGZQDADWSA-N 0 3 239.384 3.211 20 0 BGADHN C[C@H](N[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C)c1ccsc1 ZINC000528006175 323745883 /nfs/dbraw/zinc/74/58/83/323745883.db2.gz WOKXMIXVFLQEAI-XPCJQDJLSA-N 0 3 239.384 3.211 20 0 BGADHN CC[C@@H](N[C@@H]1C[C@]1(C)OC(C)C)c1ccncc1 ZINC000528008920 387820327 /nfs/dbraw/zinc/82/03/27/387820327.db2.gz UDNJXLKYPZDDIZ-KFWWJZLASA-N 0 3 248.370 3.078 20 0 BGADHN CC[C@H](N[C@@H]1C[C@]1(C)OC(C)C)c1ccncc1 ZINC000528008921 387823004 /nfs/dbraw/zinc/82/30/04/387823004.db2.gz UDNJXLKYPZDDIZ-ZNMIVQPWSA-N 0 3 248.370 3.078 20 0 BGADHN CC(C)O[C@@]1(C)C[C@H]1N[C@H]1CCCc2occc21 ZINC000528010438 387823337 /nfs/dbraw/zinc/82/33/37/387823337.db2.gz YFCAYKIKSQYPJB-CFVMTHIKSA-N 0 3 249.354 3.203 20 0 BGADHN CC(C)O[C@@]1(C)C[C@H]1N[C@@H]1CCCc2occc21 ZINC000528010439 387822612 /nfs/dbraw/zinc/82/26/12/387822612.db2.gz YFCAYKIKSQYPJB-YUELXQCFSA-N 0 3 249.354 3.203 20 0 BGADHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1N[C@H]1CCCc2occc21 ZINC000528010442 387821756 /nfs/dbraw/zinc/82/17/56/387821756.db2.gz YOHOTAFLGFJSIA-BPJKLTAVSA-N 0 3 249.354 3.059 20 0 BGADHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1N[C@@H]1CCCc2occc21 ZINC000528010444 323748374 /nfs/dbraw/zinc/74/83/74/323748374.db2.gz YOHOTAFLGFJSIA-CTFUPSTPSA-N 0 3 249.354 3.059 20 0 BGADHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1N[C@@H]1CCCc2occc21 ZINC000528010446 387822245 /nfs/dbraw/zinc/82/22/45/387822245.db2.gz YOHOTAFLGFJSIA-VZLBPVOXSA-N 0 3 249.354 3.059 20 0 BGADHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1N[C@H]1CCCc2occc21 ZINC000528010448 387822539 /nfs/dbraw/zinc/82/25/39/387822539.db2.gz YOHOTAFLGFJSIA-WORPLKMKSA-N 0 3 249.354 3.059 20 0 BGADHN CC[C@H](C)[C@@H](C)N[C@@H](C)c1ncccc1F ZINC000528034854 323742118 /nfs/dbraw/zinc/74/21/18/323742118.db2.gz ARGZJLHZULVSQG-AXFHLTTASA-N 0 3 224.323 3.306 20 0 BGADHN CC[C@H](C)[C@H](C)N[C@@H](C)c1ncccc1F ZINC000528034855 323742563 /nfs/dbraw/zinc/74/25/63/323742563.db2.gz ARGZJLHZULVSQG-DCAQKATOSA-N 0 3 224.323 3.306 20 0 BGADHN CC[C@@H](C)[C@@H](C)N[C@@H](C)c1ncccc1F ZINC000528034856 323742075 /nfs/dbraw/zinc/74/20/75/323742075.db2.gz ARGZJLHZULVSQG-MXWKQRLJSA-N 0 3 224.323 3.306 20 0 BGADHN CC[C@@H](C)[C@H](C)N[C@@H](C)c1ncccc1F ZINC000528034857 387816995 /nfs/dbraw/zinc/81/69/95/387816995.db2.gz ARGZJLHZULVSQG-VWYCJHECSA-N 0 3 224.323 3.306 20 0 BGADHN CC[C@H](N[C@@H](C)c1ncccc1F)C1CC1 ZINC000528035349 323743406 /nfs/dbraw/zinc/74/34/06/323743406.db2.gz GKSPAZSXZQECJL-CABZTGNLSA-N 0 3 222.307 3.060 20 0 BGADHN CC[C@@H](N[C@@H](C)c1ncccc1F)C1CC1 ZINC000528035350 387817437 /nfs/dbraw/zinc/81/74/37/387817437.db2.gz GKSPAZSXZQECJL-JOYOIKCWSA-N 0 3 222.307 3.060 20 0 BGADHN C[C@H](NC1CC(C)(C)C1)c1ncccc1F ZINC000528035355 323743955 /nfs/dbraw/zinc/74/39/55/323743955.db2.gz GQXKWGJBYRCDAC-VIFPVBQESA-N 0 3 222.307 3.060 20 0 BGADHN C[C@H](N[C@@H]1CCC1(C)C)c1ncccc1F ZINC000528035682 323743717 /nfs/dbraw/zinc/74/37/17/323743717.db2.gz KAFSFAJBLBKKLH-GXSJLCMTSA-N 0 3 222.307 3.060 20 0 BGADHN C[C@H](N[C@H]1CCC1(C)C)c1ncccc1F ZINC000528035683 323743684 /nfs/dbraw/zinc/74/36/84/323743684.db2.gz KAFSFAJBLBKKLH-ONGXEEELSA-N 0 3 222.307 3.060 20 0 BGADHN C[C@H](NC1CCC(C)CC1)c1ncccc1F ZINC000528035911 323743330 /nfs/dbraw/zinc/74/33/30/323743330.db2.gz LQMHFJVNYFMUFL-CXQJBGSLSA-N 0 3 236.334 3.450 20 0 BGADHN C[C@H](NC1CCCCC1)c1ncccc1F ZINC000528035923 387818093 /nfs/dbraw/zinc/81/80/93/387818093.db2.gz LZCGRYHZDLHEQE-JTQLQIEISA-N 0 3 222.307 3.204 20 0 BGADHN CC(C)C[C@@H](C)N[C@@H](C)c1ncccc1F ZINC000528035928 387818073 /nfs/dbraw/zinc/81/80/73/387818073.db2.gz MAXWHCNAMZCTKN-MNOVXSKESA-N 0 3 224.323 3.306 20 0 BGADHN CC(C)C[C@H](C)N[C@@H](C)c1ncccc1F ZINC000528035929 387817795 /nfs/dbraw/zinc/81/77/95/387817795.db2.gz MAXWHCNAMZCTKN-QWRGUYRKSA-N 0 3 224.323 3.306 20 0 BGADHN CCC[C@H](CC)N[C@@H](C)c1ncccc1F ZINC000528036041 387818273 /nfs/dbraw/zinc/81/82/73/387818273.db2.gz NWASXCMHELGTSJ-QWRGUYRKSA-N 0 3 224.323 3.450 20 0 BGADHN CCC[C@@H](CC)N[C@@H](C)c1ncccc1F ZINC000528036042 387817093 /nfs/dbraw/zinc/81/70/93/387817093.db2.gz NWASXCMHELGTSJ-WDEREUQCSA-N 0 3 224.323 3.450 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@@H]1C)c1ncccc1F ZINC000528036102 323743768 /nfs/dbraw/zinc/74/37/68/323743768.db2.gz NOBFQAGUCSEBAB-JBLDHEPKSA-N 0 3 222.307 3.060 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@H]1C)c1ncccc1F ZINC000528036103 387818559 /nfs/dbraw/zinc/81/85/59/387818559.db2.gz NOBFQAGUCSEBAB-JFGNBEQYSA-N 0 3 222.307 3.060 20 0 BGADHN C[C@H](N[C@H]1CCC[C@@H]1C)c1ncccc1F ZINC000528036104 387817775 /nfs/dbraw/zinc/81/77/75/387817775.db2.gz NOBFQAGUCSEBAB-NHCYSSNCSA-N 0 3 222.307 3.060 20 0 BGADHN C[C@H](N[C@H]1CCC[C@H]1C)c1ncccc1F ZINC000528036105 323743366 /nfs/dbraw/zinc/74/33/66/323743366.db2.gz NOBFQAGUCSEBAB-SCVCMEIPSA-N 0 3 222.307 3.060 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@@H](C)C1)c1ncccc1F ZINC000528036119 323743965 /nfs/dbraw/zinc/74/39/65/323743965.db2.gz OAZIBUQBVLNWMI-GRYCIOLGSA-N 0 3 236.334 3.450 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@H](C)C1)c1ncccc1F ZINC000528036120 323743548 /nfs/dbraw/zinc/74/35/48/323743548.db2.gz OAZIBUQBVLNWMI-SDDRHHMPSA-N 0 3 236.334 3.450 20 0 BGADHN C[C@H](N[C@H]1CCC[C@H](C)C1)c1ncccc1F ZINC000528036121 387818725 /nfs/dbraw/zinc/81/87/25/387818725.db2.gz OAZIBUQBVLNWMI-SRVKXCTJSA-N 0 3 236.334 3.450 20 0 BGADHN C[C@H](N[C@H]1CCC[C@@H](C)C1)c1ncccc1F ZINC000528036122 323743439 /nfs/dbraw/zinc/74/34/39/323743439.db2.gz OAZIBUQBVLNWMI-WOPDTQHZSA-N 0 3 236.334 3.450 20 0 BGADHN C[C@H](N[C@@H]1CCCC[C@@H]1C)c1ncccc1F ZINC000528036161 323744062 /nfs/dbraw/zinc/74/40/62/323744062.db2.gz OPODGNZZTXTXBK-GMXVVIOVSA-N 0 3 236.334 3.450 20 0 BGADHN C[C@H](N[C@H]1CCCC[C@@H]1C)c1ncccc1F ZINC000528036162 323743669 /nfs/dbraw/zinc/74/36/69/323743669.db2.gz OPODGNZZTXTXBK-GVXVVHGQSA-N 0 3 236.334 3.450 20 0 BGADHN C[C@H](N[C@H]1CCCC[C@H]1C)c1ncccc1F ZINC000528036163 323744103 /nfs/dbraw/zinc/74/41/03/323744103.db2.gz OPODGNZZTXTXBK-MDZLAQPJSA-N 0 3 236.334 3.450 20 0 BGADHN C[C@H](N[C@@H]1CCCC[C@H]1C)c1ncccc1F ZINC000528036164 323743946 /nfs/dbraw/zinc/74/39/46/323743946.db2.gz OPODGNZZTXTXBK-NTZNESFSSA-N 0 3 236.334 3.450 20 0 BGADHN C[C@H](N[C@H]1CC[C@H](C)C1)c1ncccc1F ZINC000528036169 387817422 /nfs/dbraw/zinc/81/74/22/387817422.db2.gz ORIWQTMSFFYERU-DCAQKATOSA-N 0 3 222.307 3.060 20 0 BGADHN C[C@H](N[C@@H]1CC[C@H](C)C1)c1ncccc1F ZINC000528036170 387816949 /nfs/dbraw/zinc/81/69/49/387816949.db2.gz ORIWQTMSFFYERU-GARJFASQSA-N 0 3 222.307 3.060 20 0 BGADHN C[C@H](N[C@@H]1CC[C@@H](C)C1)c1ncccc1F ZINC000528036171 387817005 /nfs/dbraw/zinc/81/70/05/387817005.db2.gz ORIWQTMSFFYERU-OUAUKWLOSA-N 0 3 222.307 3.060 20 0 BGADHN C[C@H](N[C@H]1CC[C@@H](C)C1)c1ncccc1F ZINC000528036172 323744180 /nfs/dbraw/zinc/74/41/80/323744180.db2.gz ORIWQTMSFFYERU-VWYCJHECSA-N 0 3 222.307 3.060 20 0 BGADHN C[C@H](CC1CCC1)N[C@@H](C)c1ncccc1F ZINC000528036466 387818230 /nfs/dbraw/zinc/81/82/30/387818230.db2.gz UBEXBXRGEPOCDM-MNOVXSKESA-N 0 3 236.334 3.450 20 0 BGADHN C[C@@H](CC1CCC1)N[C@@H](C)c1ncccc1F ZINC000528036467 387817615 /nfs/dbraw/zinc/81/76/15/387817615.db2.gz UBEXBXRGEPOCDM-QWRGUYRKSA-N 0 3 236.334 3.450 20 0 BGADHN CCC[C@H](C)N[C@@H](C)c1ncccc1F ZINC000528036534 387817819 /nfs/dbraw/zinc/81/78/19/387817819.db2.gz RPYLCUOQCZUCIB-UWVGGRQHSA-N 0 3 210.296 3.060 20 0 BGADHN CCC[C@@H](C)N[C@@H](C)c1ncccc1F ZINC000528036535 323743598 /nfs/dbraw/zinc/74/35/98/323743598.db2.gz RPYLCUOQCZUCIB-ZJUUUORDSA-N 0 3 210.296 3.060 20 0 BGADHN C[C@@H](CC1CC1)N[C@@H](C)c1ncccc1F ZINC000528036600 387818446 /nfs/dbraw/zinc/81/84/46/387818446.db2.gz UVDMIZFFRXMMDZ-UWVGGRQHSA-N 0 3 222.307 3.060 20 0 BGADHN C[C@H](CC1CC1)N[C@@H](C)c1ncccc1F ZINC000528036601 387817945 /nfs/dbraw/zinc/81/79/45/387817945.db2.gz UVDMIZFFRXMMDZ-ZJUUUORDSA-N 0 3 222.307 3.060 20 0 BGADHN C[C@H](CCC1CC1)N[C@@H](C)c1ncccc1F ZINC000528036616 323743503 /nfs/dbraw/zinc/74/35/03/323743503.db2.gz VFMVHXGJNUEVOF-MNOVXSKESA-N 0 3 236.334 3.450 20 0 BGADHN C[C@@H](CCC1CC1)N[C@@H](C)c1ncccc1F ZINC000528036617 323743728 /nfs/dbraw/zinc/74/37/28/323743728.db2.gz VFMVHXGJNUEVOF-QWRGUYRKSA-N 0 3 236.334 3.450 20 0 BGADHN CC(C)C1CC(N[C@@H](C)c2ncccc2F)C1 ZINC000528036857 323744729 /nfs/dbraw/zinc/74/47/29/323744729.db2.gz YYXWDSVDVVPIMP-UNXYVOJBSA-N 0 3 236.334 3.306 20 0 BGADHN C[C@H](N[C@H]1CC[C@H]1C1CCC1)c1ncccc1F ZINC000528037292 387820998 /nfs/dbraw/zinc/82/09/98/387820998.db2.gz HRZLNZBTWLLWEC-JKOKRWQUSA-N 0 3 248.345 3.450 20 0 BGADHN C[C@H](N[C@H]1CC[C@@H]1C1CCC1)c1ncccc1F ZINC000528037293 387820503 /nfs/dbraw/zinc/82/05/03/387820503.db2.gz HRZLNZBTWLLWEC-SUHUHFCYSA-N 0 3 248.345 3.450 20 0 BGADHN C[C@H](N[C@@H]1CC[C@H]1C1CCC1)c1ncccc1F ZINC000528037294 323745077 /nfs/dbraw/zinc/74/50/77/323745077.db2.gz HRZLNZBTWLLWEC-VHRBIJSZSA-N 0 3 248.345 3.450 20 0 BGADHN C[C@H](N[C@@H]1CC[C@@H]1C1CCC1)c1ncccc1F ZINC000528037295 387819940 /nfs/dbraw/zinc/81/99/40/387819940.db2.gz HRZLNZBTWLLWEC-ZKYQVNSYSA-N 0 3 248.345 3.450 20 0 BGADHN CC[C@H](N[C@@H](C)c1ncccc1F)[C@H]1C[C@H]1C ZINC000528037692 323745282 /nfs/dbraw/zinc/74/52/82/323745282.db2.gz KYSQGNJAXBGLFJ-BLFANLJRSA-N 0 3 236.334 3.306 20 0 BGADHN CC[C@H](N[C@@H](C)c1ncccc1F)[C@@H]1C[C@@H]1C ZINC000528037693 387820521 /nfs/dbraw/zinc/82/05/21/387820521.db2.gz KYSQGNJAXBGLFJ-KQXIARHKSA-N 0 3 236.334 3.306 20 0 BGADHN CC[C@H](N[C@@H](C)c1ncccc1F)[C@@H]1C[C@H]1C ZINC000528037694 323745067 /nfs/dbraw/zinc/74/50/67/323745067.db2.gz KYSQGNJAXBGLFJ-XZUYRWCXSA-N 0 3 236.334 3.306 20 0 BGADHN CC[C@H](N[C@@H](C)c1ncccc1F)[C@H]1C[C@@H]1C ZINC000528037695 387819628 /nfs/dbraw/zinc/81/96/28/387819628.db2.gz KYSQGNJAXBGLFJ-ZPFDUUQYSA-N 0 3 236.334 3.306 20 0 BGADHN C[C@H](N[C@@H]1CCC12CCC2)c1ncccc1F ZINC000528037717 387820241 /nfs/dbraw/zinc/82/02/41/387820241.db2.gz LDADGUJNYOZUDB-CMPLNLGQSA-N 0 3 234.318 3.204 20 0 BGADHN C[C@H](N[C@H]1CCC12CCC2)c1ncccc1F ZINC000528037718 387820630 /nfs/dbraw/zinc/82/06/30/387820630.db2.gz LDADGUJNYOZUDB-JQWIXIFHSA-N 0 3 234.318 3.204 20 0 BGADHN C[C@H](N[C@H]1CCC[C@H]2C[C@H]21)c1ncccc1F ZINC000528039028 323744985 /nfs/dbraw/zinc/74/49/85/323744985.db2.gz YBKUIVAAUKNRHM-KQXIARHKSA-N 0 3 234.318 3.060 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@H]2C[C@H]21)c1ncccc1F ZINC000528039029 323745113 /nfs/dbraw/zinc/74/51/13/323745113.db2.gz YBKUIVAAUKNRHM-MEWQQHAOSA-N 0 3 234.318 3.060 20 0 BGADHN CC[C@@H]1CC[C@H]1N[C@@H](C)c1ncccc1F ZINC000528039118 323745025 /nfs/dbraw/zinc/74/50/25/323745025.db2.gz YXAHEPCVFHVVII-HOSYDEDBSA-N 0 3 222.307 3.060 20 0 BGADHN CC[C@H]1CC[C@H]1N[C@@H](C)c1ncccc1F ZINC000528039121 387819535 /nfs/dbraw/zinc/81/95/35/387819535.db2.gz YXAHEPCVFHVVII-JBLDHEPKSA-N 0 3 222.307 3.060 20 0 BGADHN CC[C@H]1CC[C@@H]1N[C@@H](C)c1ncccc1F ZINC000528039124 323744671 /nfs/dbraw/zinc/74/46/71/323744671.db2.gz YXAHEPCVFHVVII-NHCYSSNCSA-N 0 3 222.307 3.060 20 0 BGADHN CC[C@@H]1CC[C@@H]1N[C@@H](C)c1ncccc1F ZINC000528039128 387820546 /nfs/dbraw/zinc/82/05/46/387820546.db2.gz YXAHEPCVFHVVII-UMNHJUIQSA-N 0 3 222.307 3.060 20 0 BGADHN CCc1cc(N2CCC(F)(F)C[C@@H]2C)ccn1 ZINC000528206847 323781199 /nfs/dbraw/zinc/78/11/99/323781199.db2.gz MQQXBKSGGBCHNT-JTQLQIEISA-N 0 3 240.297 3.268 20 0 BGADHN CCc1cc(N2CCC(F)(F)C[C@H]2C)ccn1 ZINC000528206851 323781174 /nfs/dbraw/zinc/78/11/74/323781174.db2.gz MQQXBKSGGBCHNT-SNVBAGLBSA-N 0 3 240.297 3.268 20 0 BGADHN CN(Cc1ccco1)CC1CC(C)(C)C1 ZINC000528335988 262911100 /nfs/dbraw/zinc/91/11/00/262911100.db2.gz FKBQTFZGZQNGCC-UHFFFAOYSA-N 0 3 207.317 3.148 20 0 BGADHN CCCCN(C)Cc1cccnc1C(F)(F)F ZINC000528341516 387894775 /nfs/dbraw/zinc/89/47/75/387894775.db2.gz WTLRZZJHQGHTDX-UHFFFAOYSA-N 0 3 246.276 3.332 20 0 BGADHN C/C(Cl)=C/CN1C[C@H](C)C[C@@H](C)C1 ZINC000528345025 387903635 /nfs/dbraw/zinc/90/36/35/387903635.db2.gz NFGTVMBDFVDALK-KKPWCVQLSA-N 0 3 201.741 3.107 20 0 BGADHN C/C(Cl)=C\CN1C[C@H](C)C[C@@H](C)C1 ZINC000528345029 387903019 /nfs/dbraw/zinc/90/30/19/387903019.db2.gz NFGTVMBDFVDALK-QSSOOFFUSA-N 0 3 201.741 3.107 20 0 BGADHN C/C(Cl)=C/CN1C[C@H](C)C[C@H](C)C1 ZINC000528345030 387902774 /nfs/dbraw/zinc/90/27/74/387902774.db2.gz NFGTVMBDFVDALK-SHTVUMNNSA-N 0 3 201.741 3.107 20 0 BGADHN C/C(Cl)=C\CN1C[C@H](C)C[C@H](C)C1 ZINC000528345031 387903095 /nfs/dbraw/zinc/90/30/95/387903095.db2.gz NFGTVMBDFVDALK-WQYRRQNUSA-N 0 3 201.741 3.107 20 0 BGADHN CC[C@@H]1CCCN(C/C=C(\C)Cl)C1 ZINC000528345769 387904035 /nfs/dbraw/zinc/90/40/35/387904035.db2.gz RWQUKTXOVIEHAY-CDCCAWJDSA-N 0 3 201.741 3.251 20 0 BGADHN CC[C@H]1CCCN(C/C=C(\C)Cl)C1 ZINC000528345770 387904359 /nfs/dbraw/zinc/90/43/59/387904359.db2.gz RWQUKTXOVIEHAY-RUYJGKKWSA-N 0 3 201.741 3.251 20 0 BGADHN CC[C@@H]1CCCN(C/C=C(/C)Cl)C1 ZINC000528345771 387903624 /nfs/dbraw/zinc/90/36/24/387903624.db2.gz RWQUKTXOVIEHAY-SDKXAQGSSA-N 0 3 201.741 3.251 20 0 BGADHN CC[C@H]1CCCN(C/C=C(/C)Cl)C1 ZINC000528345772 387903595 /nfs/dbraw/zinc/90/35/95/387903595.db2.gz RWQUKTXOVIEHAY-YAEJEKNGSA-N 0 3 201.741 3.251 20 0 BGADHN C/C(Cl)=C\CN(C)C1CCCCC1 ZINC000528346205 387903239 /nfs/dbraw/zinc/90/32/39/387903239.db2.gz WWIPRWSZQXDBAD-CSKARUKUSA-N 0 3 201.741 3.394 20 0 BGADHN C/C(Cl)=C/CN(C)C1CCCCC1 ZINC000528346206 387904327 /nfs/dbraw/zinc/90/43/27/387904327.db2.gz WWIPRWSZQXDBAD-NTMALXAHSA-N 0 3 201.741 3.394 20 0 BGADHN CC[C@H]1CCCCN1C/C=C(/C)Cl ZINC000528346297 387906664 /nfs/dbraw/zinc/90/66/64/387906664.db2.gz YJTORPLHRVPNDT-BRNRAETOSA-N 0 3 201.741 3.394 20 0 BGADHN CC[C@H]1CCCCN1C/C=C(\C)Cl ZINC000528346299 387906474 /nfs/dbraw/zinc/90/64/74/387906474.db2.gz YJTORPLHRVPNDT-HUYFXPKMSA-N 0 3 201.741 3.394 20 0 BGADHN CC[C@@H]1CCCCN1C/C=C(\C)Cl ZINC000528346300 387904970 /nfs/dbraw/zinc/90/49/70/387904970.db2.gz YJTORPLHRVPNDT-PFEDMVJOSA-N 0 3 201.741 3.394 20 0 BGADHN CC[C@@H]1CCCCN1C/C=C(/C)Cl ZINC000528346302 387905855 /nfs/dbraw/zinc/90/58/55/387905855.db2.gz YJTORPLHRVPNDT-ZJRUKIMVSA-N 0 3 201.741 3.394 20 0 BGADHN CCN(Cc1cccnc1C(F)(F)F)C1CC1 ZINC000528347858 387906035 /nfs/dbraw/zinc/90/60/35/387906035.db2.gz FHSXDYLTHIAWTM-UHFFFAOYSA-N 0 3 244.260 3.085 20 0 BGADHN C/C(Cl)=C\CN([C@@H](C)C1CC1)C1CC1 ZINC000528350424 387905046 /nfs/dbraw/zinc/90/50/46/387905046.db2.gz KMUXITRPHDYABW-PCYYEKQGSA-N 0 3 213.752 3.392 20 0 BGADHN C/C(Cl)=C/CN([C@@H](C)C1CC1)C1CC1 ZINC000528350436 387905128 /nfs/dbraw/zinc/90/51/28/387905128.db2.gz KMUXITRPHDYABW-RNKPRXRFSA-N 0 3 213.752 3.392 20 0 BGADHN C/C(Cl)=C\CN([C@H](C)C1CC1)C1CC1 ZINC000528350438 387906907 /nfs/dbraw/zinc/90/69/07/387906907.db2.gz KMUXITRPHDYABW-TTZKWOQHSA-N 0 3 213.752 3.392 20 0 BGADHN C/C(Cl)=C/CN([C@H](C)C1CC1)C1CC1 ZINC000528350439 387905155 /nfs/dbraw/zinc/90/51/55/387905155.db2.gz KMUXITRPHDYABW-UJICNMFASA-N 0 3 213.752 3.392 20 0 BGADHN C/C(Cl)=C/CN1CCC(OCC(C)C)CC1 ZINC000528350788 323801474 /nfs/dbraw/zinc/80/14/74/323801474.db2.gz FLSCQMBQHZDTPG-QCDXTXTGSA-N 0 3 245.794 3.266 20 0 BGADHN C/C(Cl)=C\CN1CCC(OCC(C)C)CC1 ZINC000528350795 387907127 /nfs/dbraw/zinc/90/71/27/387907127.db2.gz FLSCQMBQHZDTPG-UUILKARUSA-N 0 3 245.794 3.266 20 0 BGADHN Cc1ncc(CN(C)CC2CC(C)(C)C2)s1 ZINC000528352188 387904956 /nfs/dbraw/zinc/90/49/56/387904956.db2.gz BPTAFTIVSHYMSW-UHFFFAOYSA-N 0 3 238.400 3.320 20 0 BGADHN CCC1CCN(C/C=C(\C)Cl)CC1 ZINC000528354378 387909358 /nfs/dbraw/zinc/90/93/58/387909358.db2.gz KMSBJHFUNHZQOI-ONNFQVAWSA-N 0 3 201.741 3.251 20 0 BGADHN CCC1CCN(C/C=C(/C)Cl)CC1 ZINC000528354380 387908411 /nfs/dbraw/zinc/90/84/11/387908411.db2.gz KMSBJHFUNHZQOI-WMZJFQQLSA-N 0 3 201.741 3.251 20 0 BGADHN C/C(Cl)=C/CN(C)C1Cc2ccccc2C1 ZINC000528355340 387908279 /nfs/dbraw/zinc/90/82/79/387908279.db2.gz AGBUJUDKXJIXEB-XFFZJAGNSA-N 0 3 235.758 3.228 20 0 BGADHN C/C(Cl)=C\CN(C)C1Cc2ccccc2C1 ZINC000528355343 387909141 /nfs/dbraw/zinc/90/91/41/387909141.db2.gz AGBUJUDKXJIXEB-YRNVUSSQSA-N 0 3 235.758 3.228 20 0 BGADHN CCN(Cc1cccnc1C(F)(F)F)C(C)C ZINC000528356183 387909601 /nfs/dbraw/zinc/90/96/01/387909601.db2.gz XXTURFMISSMXPD-UHFFFAOYSA-N 0 3 246.276 3.331 20 0 BGADHN CC(C)CN(C)Cc1cccnc1C(F)(F)F ZINC000528357778 387909418 /nfs/dbraw/zinc/90/94/18/387909418.db2.gz CFMZSLOYJIGKSG-UHFFFAOYSA-N 0 3 246.276 3.188 20 0 BGADHN CC(C)[C@H]1CCCN1Cc1ncccc1Cl ZINC000528360056 387910104 /nfs/dbraw/zinc/91/01/04/387910104.db2.gz RVJVITWPXYUCFJ-CYBMUJFWSA-N 0 3 238.762 3.355 20 0 BGADHN CC(C)[C@@H]1CCCN1Cc1ncccc1Cl ZINC000528360058 387910890 /nfs/dbraw/zinc/91/08/90/387910890.db2.gz RVJVITWPXYUCFJ-ZDUSSCGKSA-N 0 3 238.762 3.355 20 0 BGADHN CN(Cc1ccoc1)CC1CC(C)(C)C1 ZINC000528360233 387911867 /nfs/dbraw/zinc/91/18/67/387911867.db2.gz WDKYVIPZBIOPGN-UHFFFAOYSA-N 0 3 207.317 3.148 20 0 BGADHN C/C(Cl)=C/CN1CCC[C@@H](C)CC1 ZINC000528361173 387911883 /nfs/dbraw/zinc/91/18/83/387911883.db2.gz UQBYROVLPSCXNG-CHPNCVJKSA-N 0 3 201.741 3.251 20 0 BGADHN C/C(Cl)=C\CN1CCC[C@H](C)CC1 ZINC000528361175 387910975 /nfs/dbraw/zinc/91/09/75/387910975.db2.gz UQBYROVLPSCXNG-OTXQMUPVSA-N 0 3 201.741 3.251 20 0 BGADHN C/C(Cl)=C/CN1CCC[C@H](C)CC1 ZINC000528361176 387910425 /nfs/dbraw/zinc/91/04/25/387910425.db2.gz UQBYROVLPSCXNG-OYUORYAFSA-N 0 3 201.741 3.251 20 0 BGADHN C/C(Cl)=C\CN1CCC[C@@H](C)CC1 ZINC000528361237 387910590 /nfs/dbraw/zinc/91/05/90/387910590.db2.gz UQBYROVLPSCXNG-VUUNSECVSA-N 0 3 201.741 3.251 20 0 BGADHN C/C(Cl)=C\CN(C)CC1CCCC1 ZINC000528362859 387911223 /nfs/dbraw/zinc/91/12/23/387911223.db2.gz GSBMICMBVNQDHK-JXMROGBWSA-N 0 3 201.741 3.251 20 0 BGADHN C/C(Cl)=C/CN(C)CC1CCCC1 ZINC000528362860 387910640 /nfs/dbraw/zinc/91/06/40/387910640.db2.gz GSBMICMBVNQDHK-YFHOEESVSA-N 0 3 201.741 3.251 20 0 BGADHN CN(CCC(F)(F)F)CC1CC(C)(C)C1 ZINC000528363856 386767892 /nfs/dbraw/zinc/76/78/92/386767892.db2.gz KWANHIDJHUJRDU-UHFFFAOYSA-N 0 3 223.282 3.307 20 0 BGADHN CCCO[C@@H]1CCCN(C/C=C(/C)Cl)CC1 ZINC000528379898 351860250 /nfs/dbraw/zinc/86/02/50/351860250.db2.gz KGFODDIAUMVWEU-MVXISAMASA-N 0 3 245.794 3.410 20 0 BGADHN CCCO[C@H]1CCCN(C/C=C(/C)Cl)CC1 ZINC000528379899 351860006 /nfs/dbraw/zinc/86/00/06/351860006.db2.gz KGFODDIAUMVWEU-TZQNSNDFSA-N 0 3 245.794 3.410 20 0 BGADHN CCCO[C@H]1CCCN(C/C=C(\C)Cl)CC1 ZINC000528379904 351859980 /nfs/dbraw/zinc/85/99/80/351859980.db2.gz KGFODDIAUMVWEU-UWUHSAQLSA-N 0 3 245.794 3.410 20 0 BGADHN CCCO[C@@H]1CCCN(C/C=C(\C)Cl)CC1 ZINC000528379910 351860259 /nfs/dbraw/zinc/86/02/59/351860259.db2.gz KGFODDIAUMVWEU-XEVNVYFWSA-N 0 3 245.794 3.410 20 0 BGADHN COC1CCC(N(C)C/C=C(\C)Cl)CC1 ZINC000528383076 388518463 /nfs/dbraw/zinc/51/84/63/388518463.db2.gz MSMXRZDDDPHCCE-CSKARUKUSA-N 0 3 231.767 3.018 20 0 BGADHN COC1CCC(N(C)C/C=C(/C)Cl)CC1 ZINC000528383077 388517653 /nfs/dbraw/zinc/51/76/53/388517653.db2.gz MSMXRZDDDPHCCE-NTMALXAHSA-N 0 3 231.767 3.018 20 0 BGADHN Cc1ncsc1CN(C)CC1CC(C)(C)C1 ZINC000528384106 388517815 /nfs/dbraw/zinc/51/78/15/388517815.db2.gz VSWUUAPFUYFUJW-UHFFFAOYSA-N 0 3 238.400 3.320 20 0 BGADHN C[C@@H]1CCCCCN1Cc1ncccc1Cl ZINC000528384825 388518349 /nfs/dbraw/zinc/51/83/49/388518349.db2.gz XNXGOGJACQFUDE-LLVKDONJSA-N 0 3 238.762 3.500 20 0 BGADHN C[C@H]1CCCCCN1Cc1ncccc1Cl ZINC000528384826 388518495 /nfs/dbraw/zinc/51/84/95/388518495.db2.gz XNXGOGJACQFUDE-NSHDSACASA-N 0 3 238.762 3.500 20 0 BGADHN C/C(Cl)=C/CN1CCCC2(CCOCC2)C1 ZINC000528388106 388520092 /nfs/dbraw/zinc/52/00/92/388520092.db2.gz IVYXTMQZDQOQGX-BASWHVEKSA-N 0 3 243.778 3.022 20 0 BGADHN C/C(Cl)=C\CN1CCCC2(CCOCC2)C1 ZINC000528388111 388519160 /nfs/dbraw/zinc/51/91/60/388519160.db2.gz IVYXTMQZDQOQGX-KGVSQERTSA-N 0 3 243.778 3.022 20 0 BGADHN C/C(Cl)=C\CN1CCC[C@H](C)[C@@H]1C ZINC000528388684 387015919 /nfs/dbraw/zinc/01/59/19/387015919.db2.gz JKHITYRBHPDIQH-CXZNFISWSA-N 0 3 201.741 3.249 20 0 BGADHN C/C(Cl)=C/CN1CCC[C@H](C)[C@H]1C ZINC000528388685 387015803 /nfs/dbraw/zinc/01/58/03/387015803.db2.gz JKHITYRBHPDIQH-JAPXBJLTSA-N 0 3 201.741 3.249 20 0 BGADHN C/C(Cl)=C/CN1CCC[C@H](C)[C@@H]1C ZINC000528388686 387014861 /nfs/dbraw/zinc/01/48/61/387014861.db2.gz JKHITYRBHPDIQH-KLFSZDKTSA-N 0 3 201.741 3.249 20 0 BGADHN C/C(Cl)=C\CN1CCC[C@H](C)[C@H]1C ZINC000528388687 387016063 /nfs/dbraw/zinc/01/60/63/387016063.db2.gz JKHITYRBHPDIQH-XHHWIUDKSA-N 0 3 201.741 3.249 20 0 BGADHN C/C(Cl)=C/CN1C[C@H](C)CC[C@H]1C ZINC000528390807 324219475 /nfs/dbraw/zinc/21/94/75/324219475.db2.gz AQHUIHKOHOXFGJ-ALTINICFSA-N 0 3 201.741 3.249 20 0 BGADHN C/C(Cl)=C/CN1C[C@H](C)CC[C@@H]1C ZINC000528390812 324219170 /nfs/dbraw/zinc/21/91/70/324219170.db2.gz AQHUIHKOHOXFGJ-FBHVHMQKSA-N 0 3 201.741 3.249 20 0 BGADHN C/C(Cl)=C\CN1C[C@H](C)CC[C@H]1C ZINC000528390814 324219567 /nfs/dbraw/zinc/21/95/67/324219567.db2.gz AQHUIHKOHOXFGJ-JMQBSKDBSA-N 0 3 201.741 3.249 20 0 BGADHN C/C(Cl)=C\CN1C[C@H](C)CC[C@@H]1C ZINC000528390817 324219429 /nfs/dbraw/zinc/21/94/29/324219429.db2.gz AQHUIHKOHOXFGJ-SZAMVBNTSA-N 0 3 201.741 3.249 20 0 BGADHN CN(Cc1cccnc1C(F)(F)F)C1CCC1 ZINC000528391429 387039289 /nfs/dbraw/zinc/03/92/89/387039289.db2.gz QBVZGHPAYSNPTR-UHFFFAOYSA-N 0 3 244.260 3.085 20 0 BGADHN CCCCOC1CCN(C/C=C(\C)Cl)CC1 ZINC000528392428 386417181 /nfs/dbraw/zinc/41/71/81/386417181.db2.gz CVEHJFHWCJPRHX-LFYBBSHMSA-N 0 3 245.794 3.410 20 0 BGADHN CCCCOC1CCN(C/C=C(/C)Cl)CC1 ZINC000528392430 386417154 /nfs/dbraw/zinc/41/71/54/386417154.db2.gz CVEHJFHWCJPRHX-XGICHPGQSA-N 0 3 245.794 3.410 20 0 BGADHN C/C(Cl)=C/CN1CCC[C@@H]2CCC[C@H]21 ZINC000528393239 324219188 /nfs/dbraw/zinc/21/91/88/324219188.db2.gz VKMGJDMNORNYPW-DXGKCEBASA-N 0 3 213.752 3.394 20 0 BGADHN C/C(Cl)=C\CN1CCC[C@@H]2CCC[C@H]21 ZINC000528393240 324218838 /nfs/dbraw/zinc/21/88/38/324218838.db2.gz VKMGJDMNORNYPW-GJKHTVIGSA-N 0 3 213.752 3.394 20 0 BGADHN C/C(Cl)=C\CN1CCC[C@@H]2CCC[C@@H]21 ZINC000528393241 324218827 /nfs/dbraw/zinc/21/88/27/324218827.db2.gz VKMGJDMNORNYPW-SKWDFFSCSA-N 0 3 213.752 3.394 20 0 BGADHN C/C(Cl)=C/CN1CCC[C@@H]2CCC[C@@H]21 ZINC000528393242 324219440 /nfs/dbraw/zinc/21/94/40/324219440.db2.gz VKMGJDMNORNYPW-XHXQXFLYSA-N 0 3 213.752 3.394 20 0 BGADHN C/C(Cl)=C\CN1[C@H](C)CCC[C@@H]1C ZINC000528393396 324219644 /nfs/dbraw/zinc/21/96/44/324219644.db2.gz HHWZHVXDISWUEE-GVDBZTIHSA-N 0 3 201.741 3.392 20 0 BGADHN C/C(Cl)=C/CN1[C@H](C)CCC[C@@H]1C ZINC000528393398 324219551 /nfs/dbraw/zinc/21/95/51/324219551.db2.gz HHWZHVXDISWUEE-ISHASMORSA-N 0 3 201.741 3.392 20 0 BGADHN CC[C@@H]1C[C@@H](C)CN1Cc1ncccc1Cl ZINC000528395231 324220237 /nfs/dbraw/zinc/22/02/37/324220237.db2.gz MUWUABGGRYDGKI-GHMZBOCLSA-N 0 3 238.762 3.355 20 0 BGADHN CC[C@H]1C[C@@H](C)CN1Cc1ncccc1Cl ZINC000528395234 324220576 /nfs/dbraw/zinc/22/05/76/324220576.db2.gz MUWUABGGRYDGKI-MNOVXSKESA-N 0 3 238.762 3.355 20 0 BGADHN CC[C@H]1C[C@H](C)CN1Cc1ncccc1Cl ZINC000528395236 324219887 /nfs/dbraw/zinc/21/98/87/324219887.db2.gz MUWUABGGRYDGKI-QWRGUYRKSA-N 0 3 238.762 3.355 20 0 BGADHN CC[C@@H]1C[C@H](C)CN1Cc1ncccc1Cl ZINC000528395239 324219991 /nfs/dbraw/zinc/21/99/91/324219991.db2.gz MUWUABGGRYDGKI-WDEREUQCSA-N 0 3 238.762 3.355 20 0 BGADHN C/C(Cl)=C\CN1CCC(OCC2CC2)CC1 ZINC000528397219 388519790 /nfs/dbraw/zinc/51/97/90/388519790.db2.gz SMEOWDPKGDDAKK-NYYWCZLTSA-N 0 3 243.778 3.020 20 0 BGADHN C/C(Cl)=C/CN1CCC(OCC2CC2)CC1 ZINC000528397222 388518901 /nfs/dbraw/zinc/51/89/01/388518901.db2.gz SMEOWDPKGDDAKK-WCIBSUBMSA-N 0 3 243.778 3.020 20 0 BGADHN CC(C)[C@@H]1CCN(Cc2ncccc2Cl)C1 ZINC000528397744 387585267 /nfs/dbraw/zinc/58/52/67/387585267.db2.gz DHCAGEUHEGFHSM-LLVKDONJSA-N 0 3 238.762 3.213 20 0 BGADHN CC(C)[C@H]1CCN(Cc2ncccc2Cl)C1 ZINC000528397747 387585236 /nfs/dbraw/zinc/58/52/36/387585236.db2.gz DHCAGEUHEGFHSM-NSHDSACASA-N 0 3 238.762 3.213 20 0 BGADHN C/C(Cl)=C/CN1CCC[C@@]2(CCCOC2)C1 ZINC000528401047 387595216 /nfs/dbraw/zinc/59/52/16/387595216.db2.gz UDEIAULRYJSIIT-TWEXNZEWSA-N 0 3 243.778 3.022 20 0 BGADHN C/C(Cl)=C/CN1CCC[C@]2(CCCOC2)C1 ZINC000528401048 387596562 /nfs/dbraw/zinc/59/65/62/387596562.db2.gz UDEIAULRYJSIIT-VEIWZVCTSA-N 0 3 243.778 3.022 20 0 BGADHN C/C(Cl)=C\CN1CCC[C@]2(CCCOC2)C1 ZINC000528401049 387595434 /nfs/dbraw/zinc/59/54/34/387595434.db2.gz UDEIAULRYJSIIT-VFJIKVCNSA-N 0 3 243.778 3.022 20 0 BGADHN C/C(Cl)=C\CN1CCC[C@@]2(CCCOC2)C1 ZINC000528401050 387595602 /nfs/dbraw/zinc/59/56/02/387595602.db2.gz UDEIAULRYJSIIT-YKAQBRKTSA-N 0 3 243.778 3.022 20 0 BGADHN CC[C@]1(C)CCN(C/C=C(/C)Cl)C1 ZINC000528401262 387633323 /nfs/dbraw/zinc/63/33/23/387633323.db2.gz ABNOYZZQTAEUGY-GULOHRGCSA-N 0 3 201.741 3.251 20 0 BGADHN CC[C@]1(C)CCN(C/C=C(\C)Cl)C1 ZINC000528401264 387632738 /nfs/dbraw/zinc/63/27/38/387632738.db2.gz ABNOYZZQTAEUGY-IGLBNKAOSA-N 0 3 201.741 3.251 20 0 BGADHN CC[C@@]1(C)CCN(C/C=C(\C)Cl)C1 ZINC000528401266 262864281 /nfs/dbraw/zinc/86/42/81/262864281.db2.gz ABNOYZZQTAEUGY-UAWPZABVSA-N 0 3 201.741 3.251 20 0 BGADHN CC[C@@]1(C)CCN(C/C=C(/C)Cl)C1 ZINC000528401267 387632408 /nfs/dbraw/zinc/63/24/08/387632408.db2.gz ABNOYZZQTAEUGY-VQNWOSHQSA-N 0 3 201.741 3.251 20 0 BGADHN CCN(Cc1ccccn1)CC1CC(C)(C)C1 ZINC000528408380 388521090 /nfs/dbraw/zinc/52/10/90/388521090.db2.gz ZRAYRSGFMIKWFD-UHFFFAOYSA-N 0 3 232.371 3.340 20 0 BGADHN CC[C@@H](C)N(C)Cc1cccnc1C(F)(F)F ZINC000528414278 388520663 /nfs/dbraw/zinc/52/06/63/388520663.db2.gz HVPWMPUPUSBZFG-SECBINFHSA-N 0 3 246.276 3.331 20 0 BGADHN CC[C@H](C)N(C)Cc1cccnc1C(F)(F)F ZINC000528414279 388519271 /nfs/dbraw/zinc/51/92/71/388519271.db2.gz HVPWMPUPUSBZFG-VIFPVBQESA-N 0 3 246.276 3.331 20 0 BGADHN CC(C)(NCC1CC(C)(C)C1)c1nccs1 ZINC000528414788 388521256 /nfs/dbraw/zinc/52/12/56/388521256.db2.gz FTPNSEHTVRAYBQ-UHFFFAOYSA-N 0 3 238.400 3.404 20 0 BGADHN Cc1cccc(CN(C)CC2CC(C)(C)C2)n1 ZINC000528415759 388521051 /nfs/dbraw/zinc/52/10/51/388521051.db2.gz DRAPUMRUISMGKE-UHFFFAOYSA-N 0 3 232.371 3.258 20 0 BGADHN C/C(Cl)=C\CN(C(C)C)C1CCC1 ZINC000528417207 388521735 /nfs/dbraw/zinc/52/17/35/388521735.db2.gz LGTCNOZHDZEDNQ-JXMROGBWSA-N 0 3 201.741 3.392 20 0 BGADHN C/C(Cl)=C/CN(C(C)C)C1CCC1 ZINC000528417208 388522149 /nfs/dbraw/zinc/52/21/49/388522149.db2.gz LGTCNOZHDZEDNQ-YFHOEESVSA-N 0 3 201.741 3.392 20 0 BGADHN CC1(C)CC(CN(Cc2ccncc2)C2CC2)C1 ZINC000528422093 384827837 /nfs/dbraw/zinc/82/78/37/384827837.db2.gz CHXBLIBXGHYKMK-UHFFFAOYSA-N 0 3 244.382 3.482 20 0 BGADHN CC1(C)CC(CN(Cc2cccnc2)C2CC2)C1 ZINC000528422755 388522298 /nfs/dbraw/zinc/52/22/98/388522298.db2.gz FQISZDXORSDISS-UHFFFAOYSA-N 0 3 244.382 3.482 20 0 BGADHN COc1ccc([C@@H](C)NC/C=C(/C)Cl)cc1 ZINC000528428793 388524193 /nfs/dbraw/zinc/52/41/93/388524193.db2.gz AQSTUFUAYSBQRU-HIJJYWJESA-N 0 3 239.746 3.488 20 0 BGADHN COc1ccc([C@H](C)NC/C=C(/C)Cl)cc1 ZINC000528428794 388522996 /nfs/dbraw/zinc/52/29/96/388522996.db2.gz AQSTUFUAYSBQRU-IEHMKBBKSA-N 0 3 239.746 3.488 20 0 BGADHN COc1ccc([C@@H](C)NC/C=C(\C)Cl)cc1 ZINC000528428795 388524085 /nfs/dbraw/zinc/52/40/85/388524085.db2.gz AQSTUFUAYSBQRU-RJCSOLBVSA-N 0 3 239.746 3.488 20 0 BGADHN COc1ccc([C@H](C)NC/C=C(\C)Cl)cc1 ZINC000528428796 388524062 /nfs/dbraw/zinc/52/40/62/388524062.db2.gz AQSTUFUAYSBQRU-UQSGXBNBSA-N 0 3 239.746 3.488 20 0 BGADHN CC1(C)CC(CN(Cc2ccccn2)C2CC2)C1 ZINC000528431467 388525354 /nfs/dbraw/zinc/52/53/54/388525354.db2.gz MURGGTFPPZYNRQ-UHFFFAOYSA-N 0 3 244.382 3.482 20 0 BGADHN CC[C@@H]1CC[C@@H](C)N1Cc1ncccc1Cl ZINC000528431817 388525181 /nfs/dbraw/zinc/52/51/81/388525181.db2.gz NRNCAKXFAVUCAK-GHMZBOCLSA-N 0 3 238.762 3.498 20 0 BGADHN CC[C@H]1CC[C@@H](C)N1Cc1ncccc1Cl ZINC000528431819 388525511 /nfs/dbraw/zinc/52/55/11/388525511.db2.gz NRNCAKXFAVUCAK-MNOVXSKESA-N 0 3 238.762 3.498 20 0 BGADHN CC[C@H]1CC[C@H](C)N1Cc1ncccc1Cl ZINC000528431822 388525441 /nfs/dbraw/zinc/52/54/41/388525441.db2.gz NRNCAKXFAVUCAK-QWRGUYRKSA-N 0 3 238.762 3.498 20 0 BGADHN CC[C@@H]1CC[C@H](C)N1Cc1ncccc1Cl ZINC000528431824 388525186 /nfs/dbraw/zinc/52/51/86/388525186.db2.gz NRNCAKXFAVUCAK-WDEREUQCSA-N 0 3 238.762 3.498 20 0 BGADHN C/C(Cl)=C\CN1CC[C@H](C)[C@H](C)C1 ZINC000528432049 388525260 /nfs/dbraw/zinc/52/52/60/388525260.db2.gz OKALLCUQHAHTLC-FKWWTLFKSA-N 0 3 201.741 3.107 20 0 BGADHN C/C(Cl)=C/CN1CC[C@H](C)[C@@H](C)C1 ZINC000528432052 388525103 /nfs/dbraw/zinc/52/51/03/388525103.db2.gz OKALLCUQHAHTLC-HJZVUHKDSA-N 0 3 201.741 3.107 20 0 BGADHN C/C(Cl)=C\CN1CC[C@H](C)[C@@H](C)C1 ZINC000528432055 388524783 /nfs/dbraw/zinc/52/47/83/388524783.db2.gz OKALLCUQHAHTLC-MVGZWBGGSA-N 0 3 201.741 3.107 20 0 BGADHN C/C(Cl)=C/CN1CC[C@H](C)[C@H](C)C1 ZINC000528432058 388525133 /nfs/dbraw/zinc/52/51/33/388525133.db2.gz OKALLCUQHAHTLC-XYCWIXJZSA-N 0 3 201.741 3.107 20 0 BGADHN COc1cccc([C@H](C)NC/C=C(/C)Cl)c1 ZINC000528434668 388525499 /nfs/dbraw/zinc/52/54/99/388525499.db2.gz VXTNQVFLDIQAAI-BRNRAETOSA-N 0 3 239.746 3.488 20 0 BGADHN COc1cccc([C@H](C)NC/C=C(\C)Cl)c1 ZINC000528434670 388525049 /nfs/dbraw/zinc/52/50/49/388525049.db2.gz VXTNQVFLDIQAAI-HUYFXPKMSA-N 0 3 239.746 3.488 20 0 BGADHN COc1cccc([C@@H](C)NC/C=C(\C)Cl)c1 ZINC000528434671 262947080 /nfs/dbraw/zinc/94/70/80/262947080.db2.gz VXTNQVFLDIQAAI-PFEDMVJOSA-N 0 3 239.746 3.488 20 0 BGADHN COc1cccc([C@@H](C)NC/C=C(/C)Cl)c1 ZINC000528434674 388524976 /nfs/dbraw/zinc/52/49/76/388524976.db2.gz VXTNQVFLDIQAAI-ZJRUKIMVSA-N 0 3 239.746 3.488 20 0 BGADHN C/C(Cl)=C\CN(C)C[C@@H]1CC=CCC1 ZINC000528439768 388525857 /nfs/dbraw/zinc/52/58/57/388525857.db2.gz DLGRCSQURQEFPO-JATZPVMKSA-N 0 3 213.752 3.417 20 0 BGADHN C/C(Cl)=C/CN(C)C[C@H]1CC=CCC1 ZINC000528439772 388525765 /nfs/dbraw/zinc/52/57/65/388525765.db2.gz DLGRCSQURQEFPO-KGTBHZDVSA-N 0 3 213.752 3.417 20 0 BGADHN C/C(Cl)=C/CN(C)C[C@@H]1CC=CCC1 ZINC000528439776 388526001 /nfs/dbraw/zinc/52/60/01/388526001.db2.gz DLGRCSQURQEFPO-NXIHDVOMSA-N 0 3 213.752 3.417 20 0 BGADHN C/C(Cl)=C\CN(C)C[C@H]1CC=CCC1 ZINC000528439778 490148356 /nfs/dbraw/zinc/14/83/56/490148356.db2.gz DLGRCSQURQEFPO-OBIHZWKSSA-N 0 3 213.752 3.417 20 0 BGADHN CC[C@@H](C)[C@@H](C)NCc1ncccc1Cl ZINC000528440343 388526576 /nfs/dbraw/zinc/52/65/76/388526576.db2.gz ZGEUYJZDLVOFFQ-NXEZZACHSA-N 0 3 226.751 3.259 20 0 BGADHN CC[C@H](C)[C@H](C)NCc1ncccc1Cl ZINC000528440345 388526599 /nfs/dbraw/zinc/52/65/99/388526599.db2.gz ZGEUYJZDLVOFFQ-UWVGGRQHSA-N 0 3 226.751 3.259 20 0 BGADHN CC[C@H](C)[C@@H](C)NCc1ncccc1Cl ZINC000528440347 388525839 /nfs/dbraw/zinc/52/58/39/388525839.db2.gz ZGEUYJZDLVOFFQ-VHSXEESVSA-N 0 3 226.751 3.259 20 0 BGADHN CC[C@@H](C)[C@H](C)NCc1ncccc1Cl ZINC000528440349 388526118 /nfs/dbraw/zinc/52/61/18/388526118.db2.gz ZGEUYJZDLVOFFQ-ZJUUUORDSA-N 0 3 226.751 3.259 20 0 BGADHN CCc1cnccc1[C@@H](C)NC/C=C(/C)Cl ZINC000528441353 388526582 /nfs/dbraw/zinc/52/65/82/388526582.db2.gz IBCBOWXWOCXEBW-GULOHRGCSA-N 0 3 238.762 3.437 20 0 BGADHN CCc1cnccc1[C@@H](C)NC/C=C(\C)Cl ZINC000528441355 388526177 /nfs/dbraw/zinc/52/61/77/388526177.db2.gz IBCBOWXWOCXEBW-IGLBNKAOSA-N 0 3 238.762 3.437 20 0 BGADHN CCc1cnccc1[C@H](C)NC/C=C(\C)Cl ZINC000528441357 388526654 /nfs/dbraw/zinc/52/66/54/388526654.db2.gz IBCBOWXWOCXEBW-UAWPZABVSA-N 0 3 238.762 3.437 20 0 BGADHN CCc1cnccc1[C@H](C)NC/C=C(/C)Cl ZINC000528441362 384915686 /nfs/dbraw/zinc/91/56/86/384915686.db2.gz IBCBOWXWOCXEBW-VQNWOSHQSA-N 0 3 238.762 3.437 20 0 BGADHN C[C@H]1CCCC[C@H]1NCc1ncccc1Cl ZINC000528444086 322995298 /nfs/dbraw/zinc/99/52/98/322995298.db2.gz ODOQMKHGUQZVNF-CMPLNLGQSA-N 0 3 238.762 3.403 20 0 BGADHN C[C@H]1CCCC[C@@H]1NCc1ncccc1Cl ZINC000528444089 322995304 /nfs/dbraw/zinc/99/53/04/322995304.db2.gz ODOQMKHGUQZVNF-JQWIXIFHSA-N 0 3 238.762 3.403 20 0 BGADHN C[C@@H]1CCCC[C@@H]1NCc1ncccc1Cl ZINC000528444091 384491987 /nfs/dbraw/zinc/49/19/87/384491987.db2.gz ODOQMKHGUQZVNF-PWSUYJOCSA-N 0 3 238.762 3.403 20 0 BGADHN C[C@@H]1CCCC[C@H]1NCc1ncccc1Cl ZINC000528444093 322995294 /nfs/dbraw/zinc/99/52/94/322995294.db2.gz ODOQMKHGUQZVNF-ZYHUDNBSSA-N 0 3 238.762 3.403 20 0 BGADHN C/C(Cl)=C/CN[C@@H](c1cccnc1)C1CC1 ZINC000528444467 388527590 /nfs/dbraw/zinc/52/75/90/388527590.db2.gz XLACYYZYWUZWMF-AGEOTTOMSA-N 0 3 236.746 3.265 20 0 BGADHN C/C(Cl)=C\CN[C@@H](c1cccnc1)C1CC1 ZINC000528444469 262948528 /nfs/dbraw/zinc/94/85/28/262948528.db2.gz XLACYYZYWUZWMF-BCRSCGJKSA-N 0 3 236.746 3.265 20 0 BGADHN C/C(Cl)=C/CN[C@H](c1cccnc1)C1CC1 ZINC000528444471 388527612 /nfs/dbraw/zinc/52/76/12/388527612.db2.gz XLACYYZYWUZWMF-HKBVPSITSA-N 0 3 236.746 3.265 20 0 BGADHN C/C(Cl)=C\CN[C@H](c1cccnc1)C1CC1 ZINC000528444472 388527100 /nfs/dbraw/zinc/52/71/00/388527100.db2.gz XLACYYZYWUZWMF-PPOCWRSBSA-N 0 3 236.746 3.265 20 0 BGADHN C[C@H](NCc1ncccc1Cl)C1CCCC1 ZINC000528446409 384233549 /nfs/dbraw/zinc/23/35/49/384233549.db2.gz AAQOVVWKCBBRPY-JTQLQIEISA-N 0 3 238.762 3.403 20 0 BGADHN C[C@@H](NCc1ncccc1Cl)C1CCCC1 ZINC000528446412 384233688 /nfs/dbraw/zinc/23/36/88/384233688.db2.gz AAQOVVWKCBBRPY-SNVBAGLBSA-N 0 3 238.762 3.403 20 0 BGADHN C/C(Cl)=C\CNC(C)(C)c1ccc(C)nc1 ZINC000528449328 388527362 /nfs/dbraw/zinc/52/73/62/388527362.db2.gz MOLJJKGSVBMSTQ-JXMROGBWSA-N 0 3 238.762 3.357 20 0 BGADHN C/C(Cl)=C/CNC(C)(C)c1ccc(C)nc1 ZINC000528449330 388527448 /nfs/dbraw/zinc/52/74/48/388527448.db2.gz MOLJJKGSVBMSTQ-YFHOEESVSA-N 0 3 238.762 3.357 20 0 BGADHN C[C@@H]1CCCCN(Cc2ncccc2Cl)C1 ZINC000528455028 388529109 /nfs/dbraw/zinc/52/91/09/388529109.db2.gz ASYRVDCOPLDDGB-LLVKDONJSA-N 0 3 238.762 3.357 20 0 BGADHN C[C@H]1CCCCN(Cc2ncccc2Cl)C1 ZINC000528455029 388528807 /nfs/dbraw/zinc/52/88/07/388528807.db2.gz ASYRVDCOPLDDGB-NSHDSACASA-N 0 3 238.762 3.357 20 0 BGADHN C/C(Cl)=C/CN[C@@H]1CC(C)(C)OC1(C)C ZINC000528455384 388528410 /nfs/dbraw/zinc/52/84/10/388528410.db2.gz FXLQHXDYNZDXRV-ABRRARGCSA-N 0 3 231.767 3.065 20 0 BGADHN C/C(Cl)=C/CN[C@H]1CC(C)(C)OC1(C)C ZINC000528455385 388529256 /nfs/dbraw/zinc/52/92/56/388529256.db2.gz FXLQHXDYNZDXRV-MBACFSSFSA-N 0 3 231.767 3.065 20 0 BGADHN C/C(Cl)=C\CN[C@@H]1CC(C)(C)OC1(C)C ZINC000528455386 388528759 /nfs/dbraw/zinc/52/87/59/388528759.db2.gz FXLQHXDYNZDXRV-OLKPEBQYSA-N 0 3 231.767 3.065 20 0 BGADHN C/C(Cl)=C\CN[C@H]1CC(C)(C)OC1(C)C ZINC000528455387 262949689 /nfs/dbraw/zinc/94/96/89/262949689.db2.gz FXLQHXDYNZDXRV-ZKXNXJMVSA-N 0 3 231.767 3.065 20 0 BGADHN CC[C@H]1[C@@H](C)CCN1Cc1ncccc1Cl ZINC000528455524 388529175 /nfs/dbraw/zinc/52/91/75/388529175.db2.gz HSKWKGFGLPYARJ-GWCFXTLKSA-N 0 3 238.762 3.355 20 0 BGADHN CC[C@@H]1[C@@H](C)CCN1Cc1ncccc1Cl ZINC000528455525 388529227 /nfs/dbraw/zinc/52/92/27/388529227.db2.gz HSKWKGFGLPYARJ-GXFFZTMASA-N 0 3 238.762 3.355 20 0 BGADHN CC[C@H]1[C@H](C)CCN1Cc1ncccc1Cl ZINC000528455526 388529241 /nfs/dbraw/zinc/52/92/41/388529241.db2.gz HSKWKGFGLPYARJ-MFKMUULPSA-N 0 3 238.762 3.355 20 0 BGADHN CC[C@@H]1[C@H](C)CCN1Cc1ncccc1Cl ZINC000528455527 388528524 /nfs/dbraw/zinc/52/85/24/388528524.db2.gz HSKWKGFGLPYARJ-ZWNOBZJWSA-N 0 3 238.762 3.355 20 0 BGADHN C/C(Cl)=C/CN[C@@H]1CCCO[C@H]1CC(C)C ZINC000528459132 388528582 /nfs/dbraw/zinc/52/85/82/388528582.db2.gz TXVZHVHGSTWLKU-CUBYMHMKSA-N 0 3 245.794 3.312 20 0 BGADHN C/C(Cl)=C/CN1CCOCC2(CCCC2)C1 ZINC000528459277 388528517 /nfs/dbraw/zinc/52/85/17/388528517.db2.gz TYQUCADQSUHURJ-QCDXTXTGSA-N 0 3 243.778 3.022 20 0 BGADHN C/C(Cl)=C\CN1CCOCC2(CCCC2)C1 ZINC000528459279 388528969 /nfs/dbraw/zinc/52/89/69/388528969.db2.gz TYQUCADQSUHURJ-UUILKARUSA-N 0 3 243.778 3.022 20 0 BGADHN C/C(Cl)=C/CN[C@@H]1CCCO[C@@H]1CC(C)C ZINC000528459709 388528768 /nfs/dbraw/zinc/52/87/68/388528768.db2.gz TXVZHVHGSTWLKU-RLLAQXBXSA-N 0 3 245.794 3.312 20 0 BGADHN C/C(Cl)=C\CN[C@@H]1CCCO[C@@H]1CC(C)C ZINC000528459710 388528754 /nfs/dbraw/zinc/52/87/54/388528754.db2.gz TXVZHVHGSTWLKU-WXYBXBMJSA-N 0 3 245.794 3.312 20 0 BGADHN C/C(Cl)=C\CN[C@@H]1CCCO[C@H]1CC(C)C ZINC000528459712 388528890 /nfs/dbraw/zinc/52/88/90/388528890.db2.gz TXVZHVHGSTWLKU-YCBFNFSOSA-N 0 3 245.794 3.312 20 0 BGADHN CC1(C)CCC[C@H]1NCc1ncccc1Cl ZINC000528464434 388529966 /nfs/dbraw/zinc/52/99/66/388529966.db2.gz FKXWUNSFLIEDIF-GFCCVEGCSA-N 0 3 238.762 3.403 20 0 BGADHN CC1(C)CCC[C@@H]1NCc1ncccc1Cl ZINC000528464435 388530041 /nfs/dbraw/zinc/53/00/41/388530041.db2.gz FKXWUNSFLIEDIF-LBPRGKRZSA-N 0 3 238.762 3.403 20 0 BGADHN Clc1cccnc1CN1CC[C@@H]2CCC[C@@H]21 ZINC000528465737 388529873 /nfs/dbraw/zinc/52/98/73/388529873.db2.gz QXKVNYXKXWMROB-GWCFXTLKSA-N 0 3 236.746 3.109 20 0 BGADHN Clc1cccnc1CN1CC[C@@H]2CCC[C@H]21 ZINC000528465740 388530211 /nfs/dbraw/zinc/53/02/11/388530211.db2.gz QXKVNYXKXWMROB-GXFFZTMASA-N 0 3 236.746 3.109 20 0 BGADHN Clc1cccnc1CN1CC[C@H]2CCC[C@@H]21 ZINC000528465742 388529678 /nfs/dbraw/zinc/52/96/78/388529678.db2.gz QXKVNYXKXWMROB-MFKMUULPSA-N 0 3 236.746 3.109 20 0 BGADHN Clc1cccnc1CN1CC[C@H]2CCC[C@H]21 ZINC000528465746 262950092 /nfs/dbraw/zinc/95/00/92/262950092.db2.gz QXKVNYXKXWMROB-ZWNOBZJWSA-N 0 3 236.746 3.109 20 0 BGADHN C/C(Cl)=C\CN1CCC([C@@H]2CCCO2)CC1 ZINC000528468662 386857696 /nfs/dbraw/zinc/85/76/96/386857696.db2.gz ATALDWQUHGVSDU-HQAMWZJRSA-N 0 3 243.778 3.020 20 0 BGADHN C/C(Cl)=C/CN1CCC([C@@H]2CCCO2)CC1 ZINC000528468665 386857649 /nfs/dbraw/zinc/85/76/49/386857649.db2.gz ATALDWQUHGVSDU-KPVYPLCOSA-N 0 3 243.778 3.020 20 0 BGADHN C/C(Cl)=C\CN1CCC([C@H]2CCCO2)CC1 ZINC000528468668 355389295 /nfs/dbraw/zinc/38/92/95/355389295.db2.gz ATALDWQUHGVSDU-RVFSUOIPSA-N 0 3 243.778 3.020 20 0 BGADHN C/C(Cl)=C/CN1CCC([C@H]2CCCO2)CC1 ZINC000528468670 355389299 /nfs/dbraw/zinc/38/92/99/355389299.db2.gz ATALDWQUHGVSDU-XFVCYKSVSA-N 0 3 243.778 3.020 20 0 BGADHN C[C@H]1CCC[C@H]1NCc1ncccc1Cl ZINC000528471730 262950814 /nfs/dbraw/zinc/95/08/14/262950814.db2.gz CWLZXEKNRFSJTO-GXSJLCMTSA-N 0 3 224.735 3.013 20 0 BGADHN C[C@@H]1CCC[C@@H]1NCc1ncccc1Cl ZINC000528471732 388531695 /nfs/dbraw/zinc/53/16/95/388531695.db2.gz CWLZXEKNRFSJTO-KOLCDFICSA-N 0 3 224.735 3.013 20 0 BGADHN C[C@@H]1CCC[C@H]1NCc1ncccc1Cl ZINC000528471734 388531572 /nfs/dbraw/zinc/53/15/72/388531572.db2.gz CWLZXEKNRFSJTO-MWLCHTKSSA-N 0 3 224.735 3.013 20 0 BGADHN C[C@H]1CCC[C@@H]1NCc1ncccc1Cl ZINC000528471737 388531545 /nfs/dbraw/zinc/53/15/45/388531545.db2.gz CWLZXEKNRFSJTO-ONGXEEELSA-N 0 3 224.735 3.013 20 0 BGADHN C/C(Cl)=C/CN1CC2(CCC2)C[C@@H]1C ZINC000528474109 262950640 /nfs/dbraw/zinc/95/06/40/262950640.db2.gz HEJSAVNCZIBKSO-FGUAACIASA-N 0 3 213.752 3.394 20 0 BGADHN C/C(Cl)=C\CN1CC2(CCC2)C[C@@H]1C ZINC000528474111 388531230 /nfs/dbraw/zinc/53/12/30/388531230.db2.gz HEJSAVNCZIBKSO-INJWIWPUSA-N 0 3 213.752 3.394 20 0 BGADHN C/C(Cl)=C\CN1CC2(CCC2)C[C@H]1C ZINC000528474113 388531652 /nfs/dbraw/zinc/53/16/52/388531652.db2.gz HEJSAVNCZIBKSO-LLMHMKPQSA-N 0 3 213.752 3.394 20 0 BGADHN C/C(Cl)=C/CN1CC2(CCC2)C[C@H]1C ZINC000528474116 388531164 /nfs/dbraw/zinc/53/11/64/388531164.db2.gz HEJSAVNCZIBKSO-NEOSZVFXSA-N 0 3 213.752 3.394 20 0 BGADHN C/C(Cl)=C/CN(C)[C@@H]1CC[C@@H](C)C1 ZINC000528477609 388533076 /nfs/dbraw/zinc/53/30/76/388533076.db2.gz PZBNYBPKUUYSSB-ALTINICFSA-N 0 3 201.741 3.249 20 0 BGADHN C/C(Cl)=C/CN(C)[C@@H]1CC[C@H](C)C1 ZINC000528477611 262951696 /nfs/dbraw/zinc/95/16/96/262951696.db2.gz PZBNYBPKUUYSSB-JAPXBJLTSA-N 0 3 201.741 3.249 20 0 BGADHN C/C(Cl)=C\CN(C)[C@@H]1CC[C@@H](C)C1 ZINC000528477614 388532008 /nfs/dbraw/zinc/53/20/08/388532008.db2.gz PZBNYBPKUUYSSB-JMQBSKDBSA-N 0 3 201.741 3.249 20 0 BGADHN C/C(Cl)=C\CN(C)[C@@H]1CC[C@H](C)C1 ZINC000528477616 388532017 /nfs/dbraw/zinc/53/20/17/388532017.db2.gz PZBNYBPKUUYSSB-XHHWIUDKSA-N 0 3 201.741 3.249 20 0 BGADHN CC[C@H]1CCC[C@H]1NCc1ncccc1Cl ZINC000528478619 388532495 /nfs/dbraw/zinc/53/24/95/388532495.db2.gz TWYLRTUIYLXZBX-CMPLNLGQSA-N 0 3 238.762 3.403 20 0 BGADHN CC[C@H]1CCC[C@@H]1NCc1ncccc1Cl ZINC000528478621 387018819 /nfs/dbraw/zinc/01/88/19/387018819.db2.gz TWYLRTUIYLXZBX-JQWIXIFHSA-N 0 3 238.762 3.403 20 0 BGADHN CC[C@@H]1CCC[C@@H]1NCc1ncccc1Cl ZINC000528478625 387018316 /nfs/dbraw/zinc/01/83/16/387018316.db2.gz TWYLRTUIYLXZBX-PWSUYJOCSA-N 0 3 238.762 3.403 20 0 BGADHN CC[C@@H]1CCC[C@H]1NCc1ncccc1Cl ZINC000528478626 387018163 /nfs/dbraw/zinc/01/81/63/387018163.db2.gz TWYLRTUIYLXZBX-ZYHUDNBSSA-N 0 3 238.762 3.403 20 0 BGADHN CCN(C/C=C(\C)Cl)CC1CCC1 ZINC000528482865 262776669 /nfs/dbraw/zinc/77/66/69/262776669.db2.gz AIUMPTFZYZUSNC-JXMROGBWSA-N 0 3 201.741 3.251 20 0 BGADHN CCN(C/C=C(/C)Cl)CC1CCC1 ZINC000528482866 386419801 /nfs/dbraw/zinc/41/98/01/386419801.db2.gz AIUMPTFZYZUSNC-YFHOEESVSA-N 0 3 201.741 3.251 20 0 BGADHN Cc1ccncc1CN(C)CC1CC(C)(C)C1 ZINC000528482869 386420494 /nfs/dbraw/zinc/42/04/94/386420494.db2.gz ANGCCSPRHHSNHH-UHFFFAOYSA-N 0 3 232.371 3.258 20 0 BGADHN CO[C@]1(C)CCCN(C/C=C(/C)Cl)CC1 ZINC000528482935 388533860 /nfs/dbraw/zinc/53/38/60/388533860.db2.gz BUEBOSNVYPDGHR-DKRCXCIFSA-N 0 3 231.767 3.020 20 0 BGADHN CO[C@@]1(C)CCCN(C/C=C(\C)Cl)CC1 ZINC000528482937 388534576 /nfs/dbraw/zinc/53/45/76/388534576.db2.gz BUEBOSNVYPDGHR-JVOXIWMLSA-N 0 3 231.767 3.020 20 0 BGADHN CO[C@]1(C)CCCN(C/C=C(\C)Cl)CC1 ZINC000528482938 388533495 /nfs/dbraw/zinc/53/34/95/388533495.db2.gz BUEBOSNVYPDGHR-JXDHDYMSSA-N 0 3 231.767 3.020 20 0 BGADHN CO[C@@]1(C)CCCN(C/C=C(/C)Cl)CC1 ZINC000528482939 388534186 /nfs/dbraw/zinc/53/41/86/388534186.db2.gz BUEBOSNVYPDGHR-QJGQKNTRSA-N 0 3 231.767 3.020 20 0 BGADHN C/C(Cl)=C\CN(CC1CC1)C1CCC1 ZINC000528487630 388533394 /nfs/dbraw/zinc/53/33/94/388533394.db2.gz QLANPYMGSKJGQY-JXMROGBWSA-N 0 3 213.752 3.394 20 0 BGADHN C/C(Cl)=C/CN(CC1CC1)C1CCC1 ZINC000528487633 388534536 /nfs/dbraw/zinc/53/45/36/388534536.db2.gz QLANPYMGSKJGQY-YFHOEESVSA-N 0 3 213.752 3.394 20 0 BGADHN C/C(Cl)=C/CN1CCC2(CCOCC2)CC1 ZINC000528496863 388535387 /nfs/dbraw/zinc/53/53/87/388535387.db2.gz KAKUCSZBQGIHOW-OIXVIMQBSA-N 0 3 243.778 3.022 20 0 BGADHN C/C(Cl)=C\CN1CCC2(CCOCC2)CC1 ZINC000528496864 388535857 /nfs/dbraw/zinc/53/58/57/388535857.db2.gz KAKUCSZBQGIHOW-SWGQDTFXSA-N 0 3 243.778 3.022 20 0 BGADHN CCN(C/C=C(\C)Cl)[C@H]1CCOC(C)(C)C1 ZINC000528501322 388534769 /nfs/dbraw/zinc/53/47/69/388534769.db2.gz CJYSSJVQVNUNTR-BCMYLCSRSA-N 0 3 245.794 3.409 20 0 BGADHN CCN(C/C=C(/C)Cl)[C@H]1CCOC(C)(C)C1 ZINC000528501323 388535960 /nfs/dbraw/zinc/53/59/60/388535960.db2.gz CJYSSJVQVNUNTR-DSDFTUOUSA-N 0 3 245.794 3.409 20 0 BGADHN CCN(C/C=C(/C)Cl)[C@@H]1CCOC(C)(C)C1 ZINC000528501324 388534862 /nfs/dbraw/zinc/53/48/62/388534862.db2.gz CJYSSJVQVNUNTR-HUMZTAOYSA-N 0 3 245.794 3.409 20 0 BGADHN CCN(C/C=C(\C)Cl)[C@@H]1CCOC(C)(C)C1 ZINC000528501325 388535975 /nfs/dbraw/zinc/53/59/75/388535975.db2.gz CJYSSJVQVNUNTR-IGEMTJHASA-N 0 3 245.794 3.409 20 0 BGADHN C/C(Cl)=C\CN1CC[C@H](c2ccncc2)C1 ZINC000528507220 388536471 /nfs/dbraw/zinc/53/64/71/388536471.db2.gz JECIFJIHLOLLQF-HQAMWZJRSA-N 0 3 236.746 3.014 20 0 BGADHN C/C(Cl)=C/CN1CC[C@H](c2ccncc2)C1 ZINC000528507221 388537098 /nfs/dbraw/zinc/53/70/98/388537098.db2.gz JECIFJIHLOLLQF-KPVYPLCOSA-N 0 3 236.746 3.014 20 0 BGADHN C/C(Cl)=C\CN1CC[C@@H](c2ccncc2)C1 ZINC000528507222 388536855 /nfs/dbraw/zinc/53/68/55/388536855.db2.gz JECIFJIHLOLLQF-RVFSUOIPSA-N 0 3 236.746 3.014 20 0 BGADHN C/C(Cl)=C/CN1CC[C@@H](c2ccncc2)C1 ZINC000528507224 388536547 /nfs/dbraw/zinc/53/65/47/388536547.db2.gz JECIFJIHLOLLQF-XFVCYKSVSA-N 0 3 236.746 3.014 20 0 BGADHN C/C(Cl)=C/CN[C@@H](C)c1ccc2n[nH]cc2c1 ZINC000528508288 388536225 /nfs/dbraw/zinc/53/62/25/388536225.db2.gz VTOGKCJKKOUKBE-BSKOKIOFSA-N 0 3 249.745 3.356 20 0 BGADHN C/C(Cl)=C\CN[C@@H](C)c1ccc2n[nH]cc2c1 ZINC000528508290 388536365 /nfs/dbraw/zinc/53/63/65/388536365.db2.gz VTOGKCJKKOUKBE-CYNRKNSPSA-N 0 3 249.745 3.356 20 0 BGADHN C/C(Cl)=C/CN[C@H](C)c1ccc2n[nH]cc2c1 ZINC000528508292 388537684 /nfs/dbraw/zinc/53/76/84/388537684.db2.gz VTOGKCJKKOUKBE-HYHWUIIZSA-N 0 3 249.745 3.356 20 0 BGADHN C/C(Cl)=C\CN[C@H](C)c1ccc2n[nH]cc2c1 ZINC000528508294 262954422 /nfs/dbraw/zinc/95/44/22/262954422.db2.gz VTOGKCJKKOUKBE-NAZIUFLLSA-N 0 3 249.745 3.356 20 0 BGADHN CCOC1CC2(C1)CCN(C/C=C(\C)Cl)C2 ZINC000528509189 388538009 /nfs/dbraw/zinc/53/80/09/388538009.db2.gz ZLRKFDFINUDULZ-NYYWCZLTSA-N 0 3 243.778 3.020 20 0 BGADHN CCOC1CC2(C1)CCN(C/C=C(/C)Cl)C2 ZINC000528509191 388538112 /nfs/dbraw/zinc/53/81/12/388538112.db2.gz ZLRKFDFINUDULZ-WCIBSUBMSA-N 0 3 243.778 3.020 20 0 BGADHN C/C(Cl)=C/CN1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000528509738 388505846 /nfs/dbraw/zinc/50/58/46/388505846.db2.gz URURKAMACWXNQO-NRCMDQDQSA-N 0 3 235.705 3.106 20 0 BGADHN C/C(Cl)=C\CN1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000528509740 388505851 /nfs/dbraw/zinc/50/58/51/388505851.db2.gz URURKAMACWXNQO-PGNDRMTNSA-N 0 3 235.705 3.106 20 0 BGADHN CCOC1(C)CCN(C/C=C(\C)Cl)CC1 ZINC000528509826 388505811 /nfs/dbraw/zinc/50/58/11/388505811.db2.gz VDQBMFCCLAEDGR-VZUCSPMQSA-N 0 3 231.767 3.020 20 0 BGADHN CCOC1(C)CCN(C/C=C(/C)Cl)CC1 ZINC000528509828 262937670 /nfs/dbraw/zinc/93/76/70/262937670.db2.gz VDQBMFCCLAEDGR-WZUFQYTHSA-N 0 3 231.767 3.020 20 0 BGADHN CC1(C)CC(CN2CCCC[C@H]2c2cc[nH]n2)C1 ZINC000528510887 388538120 /nfs/dbraw/zinc/53/81/20/388538120.db2.gz ZNOZESPZQBCHOY-AWEZNQCLSA-N 0 3 247.386 3.373 20 0 BGADHN CC1(C)CC(CN2CCCC[C@@H]2c2cc[nH]n2)C1 ZINC000528510890 388538985 /nfs/dbraw/zinc/53/89/85/388538985.db2.gz ZNOZESPZQBCHOY-CQSZACIVSA-N 0 3 247.386 3.373 20 0 BGADHN CCc1nocc1CN(C)CC1CC(C)(C)C1 ZINC000528512855 388538231 /nfs/dbraw/zinc/53/82/31/388538231.db2.gz OBWRTLYKECQKGR-UHFFFAOYSA-N 0 3 236.359 3.105 20 0 BGADHN CO[C@@H]1C[C@H](N(C)C/C=C(/C)Cl)C12CCC2 ZINC000528517740 388540763 /nfs/dbraw/zinc/54/07/63/388540763.db2.gz HXFUOBDWZFOLNV-JUYDSFNJSA-N 0 3 243.778 3.018 20 0 BGADHN CO[C@@H]1C[C@H](N(C)C/C=C(\C)Cl)C12CCC2 ZINC000528517741 388541256 /nfs/dbraw/zinc/54/12/56/388541256.db2.gz HXFUOBDWZFOLNV-RGEGJOEESA-N 0 3 243.778 3.018 20 0 BGADHN CO[C@@H]1C[C@@H](N(C)C/C=C(\C)Cl)C12CCC2 ZINC000528517742 388512222 /nfs/dbraw/zinc/51/22/22/388512222.db2.gz HXFUOBDWZFOLNV-VDUSXYPOSA-N 0 3 243.778 3.018 20 0 BGADHN CO[C@@H]1C[C@@H](N(C)C/C=C(/C)Cl)C12CCC2 ZINC000528517743 388511860 /nfs/dbraw/zinc/51/18/60/388511860.db2.gz HXFUOBDWZFOLNV-XRHVUQDBSA-N 0 3 243.778 3.018 20 0 BGADHN C[C@H]1CCC(C)(C)N1Cc1ncccc1Cl ZINC000528517997 388511746 /nfs/dbraw/zinc/51/17/46/388511746.db2.gz OXOJUDMKFMFALS-JTQLQIEISA-N 0 3 238.762 3.498 20 0 BGADHN C[C@@H]1CCC(C)(C)N1Cc1ncccc1Cl ZINC000528518001 388511778 /nfs/dbraw/zinc/51/17/78/388511778.db2.gz OXOJUDMKFMFALS-SNVBAGLBSA-N 0 3 238.762 3.498 20 0 BGADHN CCOC[C@@H]1CCCCN1C/C=C(/C)Cl ZINC000528518002 388540754 /nfs/dbraw/zinc/54/07/54/388540754.db2.gz FIVFOBLSEVTNGC-RDQDRAATSA-N 0 3 231.767 3.020 20 0 BGADHN CCOC[C@H]1CCCCN1C/C=C(/C)Cl ZINC000528518004 388540658 /nfs/dbraw/zinc/54/06/58/388540658.db2.gz FIVFOBLSEVTNGC-SEVUFMINSA-N 0 3 231.767 3.020 20 0 BGADHN CCOC[C@@H]1CCCCN1C/C=C(\C)Cl ZINC000528518007 388541637 /nfs/dbraw/zinc/54/16/37/388541637.db2.gz FIVFOBLSEVTNGC-VNKGSWCUSA-N 0 3 231.767 3.020 20 0 BGADHN CCOC[C@H]1CCCCN1C/C=C(\C)Cl ZINC000528518011 388541473 /nfs/dbraw/zinc/54/14/73/388541473.db2.gz FIVFOBLSEVTNGC-YTRUQHMWSA-N 0 3 231.767 3.020 20 0 BGADHN C/C(Cl)=C/CN(C)C1CC(C)(C)C1 ZINC000528519101 388541105 /nfs/dbraw/zinc/54/11/05/388541105.db2.gz INIADFUCFVGQGP-UITAMQMPSA-N 0 3 201.741 3.249 20 0 BGADHN C/C(Cl)=C\CN(C)C1CC(C)(C)C1 ZINC000528519104 388541354 /nfs/dbraw/zinc/54/13/54/388541354.db2.gz INIADFUCFVGQGP-WEVVVXLNSA-N 0 3 201.741 3.249 20 0 BGADHN CCO[C@@H]1C[C@H](NC/C=C(/C)Cl)C12CCC2 ZINC000528519232 388512923 /nfs/dbraw/zinc/51/29/23/388512923.db2.gz MIPIDAIANMXZKJ-JUYDSFNJSA-N 0 3 243.778 3.066 20 0 BGADHN CCO[C@@H]1C[C@H](NC/C=C(\C)Cl)C12CCC2 ZINC000528519235 388512846 /nfs/dbraw/zinc/51/28/46/388512846.db2.gz MIPIDAIANMXZKJ-RGEGJOEESA-N 0 3 243.778 3.066 20 0 BGADHN CCO[C@@H]1C[C@@H](NC/C=C(\C)Cl)C12CCC2 ZINC000528519240 388512961 /nfs/dbraw/zinc/51/29/61/388512961.db2.gz MIPIDAIANMXZKJ-VDUSXYPOSA-N 0 3 243.778 3.066 20 0 BGADHN CCO[C@@H]1C[C@@H](NC/C=C(/C)Cl)C12CCC2 ZINC000528519242 388512604 /nfs/dbraw/zinc/51/26/04/388512604.db2.gz MIPIDAIANMXZKJ-XRHVUQDBSA-N 0 3 243.778 3.066 20 0 BGADHN CCO[C@@H]1CCCC[C@H]1NC/C=C(\C)Cl ZINC000528520013 388541492 /nfs/dbraw/zinc/54/14/92/388541492.db2.gz UZXTZQQAWXECTL-BXAYLQTHSA-N 0 3 231.767 3.066 20 0 BGADHN CCO[C@@H]1CCCC[C@H]1NC/C=C(/C)Cl ZINC000528520015 388541607 /nfs/dbraw/zinc/54/16/07/388541607.db2.gz UZXTZQQAWXECTL-NRCZCXPTSA-N 0 3 231.767 3.066 20 0 BGADHN Clc1cccnc1CN[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000528520798 388540770 /nfs/dbraw/zinc/54/07/70/388540770.db2.gz NLGRJMRYQWMJQZ-JFGNBEQYSA-N 0 3 236.746 3.013 20 0 BGADHN Clc1cccnc1CN[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000528520800 388541561 /nfs/dbraw/zinc/54/15/61/388541561.db2.gz NLGRJMRYQWMJQZ-SCVCMEIPSA-N 0 3 236.746 3.013 20 0 BGADHN C[C@H]1[C@@H](C)N(Cc2ncccc2Cl)C[C@H]1C ZINC000528524917 388542678 /nfs/dbraw/zinc/54/26/78/388542678.db2.gz RZDQQZUYUOGWBN-GMTAPVOTSA-N 0 3 238.762 3.211 20 0 BGADHN C[C@@H]1[C@H](C)CN(Cc2ncccc2Cl)[C@H]1C ZINC000528524919 388542995 /nfs/dbraw/zinc/54/29/95/388542995.db2.gz RZDQQZUYUOGWBN-MXWKQRLJSA-N 0 3 238.762 3.211 20 0 BGADHN C[C@@H]1[C@@H](C)[C@H](C)CN1Cc1ncccc1Cl ZINC000528524923 388542739 /nfs/dbraw/zinc/54/27/39/388542739.db2.gz RZDQQZUYUOGWBN-OUAUKWLOSA-N 0 3 238.762 3.211 20 0 BGADHN C[C@@H]1CN(Cc2ncccc2Cl)[C@@H](C)[C@H]1C ZINC000528524926 388542937 /nfs/dbraw/zinc/54/29/37/388542937.db2.gz RZDQQZUYUOGWBN-VWYCJHECSA-N 0 3 238.762 3.211 20 0 BGADHN C/C(Cl)=C/CN1CC(C)(C)C[C@@H]1C ZINC000528524946 388501698 /nfs/dbraw/zinc/50/16/98/388501698.db2.gz LVLSDSKFJSLTAO-BSKOKIOFSA-N 0 3 201.741 3.249 20 0 BGADHN C/C(Cl)=C\CN1CC(C)(C)C[C@@H]1C ZINC000528524975 388501989 /nfs/dbraw/zinc/50/19/89/388501989.db2.gz LVLSDSKFJSLTAO-CYNRKNSPSA-N 0 3 201.741 3.249 20 0 BGADHN C/C(Cl)=C/CN1CC(C)(C)C[C@H]1C ZINC000528524994 388501776 /nfs/dbraw/zinc/50/17/76/388501776.db2.gz LVLSDSKFJSLTAO-HYHWUIIZSA-N 0 3 201.741 3.249 20 0 BGADHN C/C(Cl)=C\CN1CC(C)(C)C[C@H]1C ZINC000528525013 388502821 /nfs/dbraw/zinc/50/28/21/388502821.db2.gz LVLSDSKFJSLTAO-NAZIUFLLSA-N 0 3 201.741 3.249 20 0 BGADHN CC1(C)CC(CN2CCC(=O)CC23CCC3)C1 ZINC000528526126 388543992 /nfs/dbraw/zinc/54/39/92/388543992.db2.gz PINFQAOUHCPDIM-UHFFFAOYSA-N 0 3 235.371 3.010 20 0 BGADHN C/C(Cl)=C\CN1CC[C@@H](C)C[C@H]1C ZINC000528527487 388544145 /nfs/dbraw/zinc/54/41/45/388544145.db2.gz TWDDASNKGMPBKB-KXNDTWRZSA-N 0 3 201.741 3.249 20 0 BGADHN C/C(Cl)=C/CN1CC[C@@H](C)C[C@H]1C ZINC000528527489 388544256 /nfs/dbraw/zinc/54/42/56/388544256.db2.gz TWDDASNKGMPBKB-XTDRBSRISA-N 0 3 201.741 3.249 20 0 BGADHN C[C@@H](NCc1ncccc1Cl)C(C)(C)C ZINC000528535368 388545158 /nfs/dbraw/zinc/54/51/58/388545158.db2.gz UEIQEMNXOLZTEE-SECBINFHSA-N 0 3 226.751 3.259 20 0 BGADHN C/C(Cl)=C\CN1CC[C@H](c2cccnc2)C1 ZINC000528535633 388544820 /nfs/dbraw/zinc/54/48/20/388544820.db2.gz LFWJRLQMZFXMOH-HQAMWZJRSA-N 0 3 236.746 3.014 20 0 BGADHN C/C(Cl)=C/CN1CC[C@H](c2cccnc2)C1 ZINC000528535634 262958323 /nfs/dbraw/zinc/95/83/23/262958323.db2.gz LFWJRLQMZFXMOH-KPVYPLCOSA-N 0 3 236.746 3.014 20 0 BGADHN C/C(Cl)=C\CN1CC[C@@H](c2cccnc2)C1 ZINC000528535636 388544593 /nfs/dbraw/zinc/54/45/93/388544593.db2.gz LFWJRLQMZFXMOH-RVFSUOIPSA-N 0 3 236.746 3.014 20 0 BGADHN C/C(Cl)=C/CN1CC[C@@H](c2cccnc2)C1 ZINC000528535637 388544897 /nfs/dbraw/zinc/54/48/97/388544897.db2.gz LFWJRLQMZFXMOH-XFVCYKSVSA-N 0 3 236.746 3.014 20 0 BGADHN CN(Cc1cccnc1C(F)(F)F)C(C)(C)C ZINC000528540246 262958296 /nfs/dbraw/zinc/95/82/96/262958296.db2.gz XXNRQSURFCERPD-UHFFFAOYSA-N 0 3 246.276 3.331 20 0 BGADHN CC[C@@H](NCc1ncccc1Cl)C1CC1 ZINC000528549018 388545943 /nfs/dbraw/zinc/54/59/43/388545943.db2.gz CDSOQGMBBMDLSD-LLVKDONJSA-N 0 3 224.735 3.013 20 0 BGADHN CC[C@H](NCc1ncccc1Cl)C1CC1 ZINC000528549019 388546141 /nfs/dbraw/zinc/54/61/41/388546141.db2.gz CDSOQGMBBMDLSD-NSHDSACASA-N 0 3 224.735 3.013 20 0 BGADHN FC1(F)CC12C[C@H]1CC[C@@H](C2)N1C/C=C/Cl ZINC000528580604 388549170 /nfs/dbraw/zinc/54/91/70/388549170.db2.gz GDZMAOHDMWJEID-ATUYNGRWSA-N 0 3 247.716 3.391 20 0 BGADHN FC1(F)CC12C[C@H]1CC[C@@H](C2)N1C/C=C\Cl ZINC000528580609 388549366 /nfs/dbraw/zinc/54/93/66/388549366.db2.gz GDZMAOHDMWJEID-LWUTXIMUSA-N 0 3 247.716 3.391 20 0 BGADHN C[C@@H]1CC(F)(F)CCN1Cc1ccccc1 ZINC000528764053 388569763 /nfs/dbraw/zinc/56/97/63/388569763.db2.gz QXALUYPDQSEGKQ-LLVKDONJSA-N 0 3 225.282 3.306 20 0 BGADHN C[C@H]1CC(F)(F)CCN1Cc1ccccc1 ZINC000528764060 388569164 /nfs/dbraw/zinc/56/91/64/388569164.db2.gz QXALUYPDQSEGKQ-NSHDSACASA-N 0 3 225.282 3.306 20 0 BGADHN C[C@@H]1CC(F)(F)CCN1CCc1ccccc1 ZINC000528765076 388568959 /nfs/dbraw/zinc/56/89/59/388568959.db2.gz GNSWSABVXWWLDO-GFCCVEGCSA-N 0 3 239.309 3.349 20 0 BGADHN C[C@H]1CC(F)(F)CCN1CCc1ccccc1 ZINC000528765079 388569595 /nfs/dbraw/zinc/56/95/95/388569595.db2.gz GNSWSABVXWWLDO-LBPRGKRZSA-N 0 3 239.309 3.349 20 0 BGADHN CO[C@@H](CC(C)C)CN1CCC(F)(F)C[C@H]1C ZINC000528765109 388569843 /nfs/dbraw/zinc/56/98/43/388569843.db2.gz AJOIGFOQXBFBSE-NEPJUHHUSA-N 0 3 249.345 3.167 20 0 BGADHN CO[C@H](CC(C)C)CN1CCC(F)(F)C[C@@H]1C ZINC000528765111 388569391 /nfs/dbraw/zinc/56/93/91/388569391.db2.gz AJOIGFOQXBFBSE-NWDGAFQWSA-N 0 3 249.345 3.167 20 0 BGADHN CO[C@@H](CC(C)C)CN1CCC(F)(F)C[C@@H]1C ZINC000528765112 388569099 /nfs/dbraw/zinc/56/90/99/388569099.db2.gz AJOIGFOQXBFBSE-RYUDHWBXSA-N 0 3 249.345 3.167 20 0 BGADHN CO[C@H](CC(C)C)CN1CCC(F)(F)C[C@H]1C ZINC000528765115 388569032 /nfs/dbraw/zinc/56/90/32/388569032.db2.gz AJOIGFOQXBFBSE-VXGBXAGGSA-N 0 3 249.345 3.167 20 0 BGADHN Cc1cccc([C@@H](NCc2cnc[nH]2)C(C)C)c1 ZINC000528765210 388569835 /nfs/dbraw/zinc/56/98/35/388569835.db2.gz FKPUQFMKZAMRFE-HNNXBMFYSA-N 0 3 243.354 3.205 20 0 BGADHN Cc1cccc([C@@H](NCc2c[nH]cn2)C(C)C)c1 ZINC000528765210 388569832 /nfs/dbraw/zinc/56/98/32/388569832.db2.gz FKPUQFMKZAMRFE-HNNXBMFYSA-N 0 3 243.354 3.205 20 0 BGADHN Cc1cccc([C@H](NCc2cnc[nH]2)C(C)C)c1 ZINC000528765222 388569478 /nfs/dbraw/zinc/56/94/78/388569478.db2.gz FKPUQFMKZAMRFE-OAHLLOKOSA-N 0 3 243.354 3.205 20 0 BGADHN Cc1cccc([C@H](NCc2c[nH]cn2)C(C)C)c1 ZINC000528765222 388569476 /nfs/dbraw/zinc/56/94/76/388569476.db2.gz FKPUQFMKZAMRFE-OAHLLOKOSA-N 0 3 243.354 3.205 20 0 BGADHN C[C@H]1CC(F)(F)CCN1CCCCCF ZINC000528765428 388569451 /nfs/dbraw/zinc/56/94/51/388569451.db2.gz BJJDTVYPIBUBGH-JTQLQIEISA-N 0 3 223.282 3.246 20 0 BGADHN C[C@@H]1CC(F)(F)CCN1CCCCCF ZINC000528765432 388569203 /nfs/dbraw/zinc/56/92/03/388569203.db2.gz BJJDTVYPIBUBGH-SNVBAGLBSA-N 0 3 223.282 3.246 20 0 BGADHN CC(C)=CCN1CCC(F)(F)C[C@@H]1C ZINC000528767022 388570519 /nfs/dbraw/zinc/57/05/19/388570519.db2.gz KLDACHYCHNAZOR-JTQLQIEISA-N 0 3 203.276 3.072 20 0 BGADHN CC(C)=CCN1CCC(F)(F)C[C@H]1C ZINC000528767024 398126344 /nfs/dbraw/zinc/12/63/44/398126344.db2.gz KLDACHYCHNAZOR-SNVBAGLBSA-N 0 3 203.276 3.072 20 0 BGADHN C[C@@H]1CC(F)(F)CCN1[C@@H]1C=CCCC1 ZINC000528767068 387635243 /nfs/dbraw/zinc/63/52/43/387635243.db2.gz LFJGJYYRJADRKP-GHMZBOCLSA-N 0 3 215.287 3.215 20 0 BGADHN C[C@@H]1CC(F)(F)CCN1[C@H]1C=CCCC1 ZINC000528767069 387634753 /nfs/dbraw/zinc/63/47/53/387634753.db2.gz LFJGJYYRJADRKP-MNOVXSKESA-N 0 3 215.287 3.215 20 0 BGADHN C[C@H]1CC(F)(F)CCN1[C@H]1C=CCCC1 ZINC000528767070 387634624 /nfs/dbraw/zinc/63/46/24/387634624.db2.gz LFJGJYYRJADRKP-QWRGUYRKSA-N 0 3 215.287 3.215 20 0 BGADHN C[C@H]1CC(F)(F)CCN1[C@@H]1C=CCCC1 ZINC000528767079 387634580 /nfs/dbraw/zinc/63/45/80/387634580.db2.gz LFJGJYYRJADRKP-WDEREUQCSA-N 0 3 215.287 3.215 20 0 BGADHN C[C@@H]1CC(F)(F)CCN1C[C@H]1CCC(C)(C)O1 ZINC000528767281 398126553 /nfs/dbraw/zinc/12/65/53/398126553.db2.gz GLEKWGHPAVKYRO-GHMZBOCLSA-N 0 3 247.329 3.064 20 0 BGADHN C[C@@H]1CC(F)(F)CCN1C[C@@H]1CCC(C)(C)O1 ZINC000528767282 398126022 /nfs/dbraw/zinc/12/60/22/398126022.db2.gz GLEKWGHPAVKYRO-MNOVXSKESA-N 0 3 247.329 3.064 20 0 BGADHN C[C@H]1CC(F)(F)CCN1C[C@@H]1CCC(C)(C)O1 ZINC000528767284 398126310 /nfs/dbraw/zinc/12/63/10/398126310.db2.gz GLEKWGHPAVKYRO-QWRGUYRKSA-N 0 3 247.329 3.064 20 0 BGADHN C[C@H]1CC(F)(F)CCN1C[C@H]1CCC(C)(C)O1 ZINC000528767286 398125996 /nfs/dbraw/zinc/12/59/96/398125996.db2.gz GLEKWGHPAVKYRO-WDEREUQCSA-N 0 3 247.329 3.064 20 0 BGADHN C[C@@H]1CC(F)(F)CCN1CC[C@@H]1CCCCO1 ZINC000528768227 262972656 /nfs/dbraw/zinc/97/26/56/262972656.db2.gz ILRKSNDZYSTPNZ-NEPJUHHUSA-N 0 3 247.329 3.065 20 0 BGADHN C[C@H]1CC(F)(F)CCN1CC[C@H]1CCCCO1 ZINC000528768229 388570476 /nfs/dbraw/zinc/57/04/76/388570476.db2.gz ILRKSNDZYSTPNZ-NWDGAFQWSA-N 0 3 247.329 3.065 20 0 BGADHN C[C@H]1CC(F)(F)CCN1CC[C@@H]1CCCCO1 ZINC000528768231 388570552 /nfs/dbraw/zinc/57/05/52/388570552.db2.gz ILRKSNDZYSTPNZ-RYUDHWBXSA-N 0 3 247.329 3.065 20 0 BGADHN C[C@@H]1CC(F)(F)CCN1CC[C@H]1CCCCO1 ZINC000528768232 388570375 /nfs/dbraw/zinc/57/03/75/388570375.db2.gz ILRKSNDZYSTPNZ-VXGBXAGGSA-N 0 3 247.329 3.065 20 0 BGADHN C[C@H]1CC(F)(F)CCN1CCc1cccs1 ZINC000528769022 387639810 /nfs/dbraw/zinc/63/98/10/387639810.db2.gz POECPFHTROTDFI-JTQLQIEISA-N 0 3 245.338 3.410 20 0 BGADHN C[C@@H]1CC(F)(F)CCN1CCc1cccs1 ZINC000528769025 387640336 /nfs/dbraw/zinc/64/03/36/387640336.db2.gz POECPFHTROTDFI-SNVBAGLBSA-N 0 3 245.338 3.410 20 0 BGADHN C[C@H]1CC(F)(F)CCN1CCC(=O)C(C)(C)C ZINC000528772797 388571777 /nfs/dbraw/zinc/57/17/77/388571777.db2.gz NIGSUCZBILZZKJ-JTQLQIEISA-N 0 3 247.329 3.111 20 0 BGADHN C[C@@H]1CC(F)(F)CCN1CCC(=O)C(C)(C)C ZINC000528772805 388570846 /nfs/dbraw/zinc/57/08/46/388570846.db2.gz NIGSUCZBILZZKJ-SNVBAGLBSA-N 0 3 247.329 3.111 20 0 BGADHN C[C@H](CN(C)Cc1cncn1C)C1CCCCC1 ZINC000528774554 387743307 /nfs/dbraw/zinc/74/33/07/387743307.db2.gz RVMOHJRCGVNFCT-CYBMUJFWSA-N 0 3 249.402 3.068 20 0 BGADHN C[C@@H](CN(C)Cc1cncn1C)C1CCCCC1 ZINC000528774567 387743599 /nfs/dbraw/zinc/74/35/99/387743599.db2.gz RVMOHJRCGVNFCT-ZDUSSCGKSA-N 0 3 249.402 3.068 20 0 BGADHN CC/C=C\CCN1CCC(F)(F)C[C@H]1C ZINC000528774894 262887535 /nfs/dbraw/zinc/88/75/35/262887535.db2.gz WNUMHRARIXHPGU-DOGVGXBMSA-N 0 3 217.303 3.462 20 0 BGADHN CC/C=C/CCN1CCC(F)(F)C[C@H]1C ZINC000528774898 387748113 /nfs/dbraw/zinc/74/81/13/387748113.db2.gz WNUMHRARIXHPGU-SGUJLRQBSA-N 0 3 217.303 3.462 20 0 BGADHN CC/C=C\CCN1CCC(F)(F)C[C@@H]1C ZINC000528774906 387748337 /nfs/dbraw/zinc/74/83/37/387748337.db2.gz WNUMHRARIXHPGU-WYGGZMRJSA-N 0 3 217.303 3.462 20 0 BGADHN CC/C=C/CCN1CCC(F)(F)C[C@@H]1C ZINC000528774920 387748293 /nfs/dbraw/zinc/74/82/93/387748293.db2.gz WNUMHRARIXHPGU-ZWNMCFTASA-N 0 3 217.303 3.462 20 0 BGADHN C[C@H](CN(C)Cc1cn(C)cn1)C1CCCCC1 ZINC000528775671 387776717 /nfs/dbraw/zinc/77/67/17/387776717.db2.gz XYQULYITEWCGOI-CYBMUJFWSA-N 0 3 249.402 3.068 20 0 BGADHN C[C@@H](CN(C)Cc1cn(C)cn1)C1CCCCC1 ZINC000528775675 387775753 /nfs/dbraw/zinc/77/57/53/387775753.db2.gz XYQULYITEWCGOI-ZDUSSCGKSA-N 0 3 249.402 3.068 20 0 BGADHN C[C@H](CN(C)Cc1ccno1)C1CCCCC1 ZINC000528775869 388571015 /nfs/dbraw/zinc/57/10/15/388571015.db2.gz YMZZGIIYXKTPAT-GFCCVEGCSA-N 0 3 236.359 3.323 20 0 BGADHN C[C@@H](CN(C)Cc1ccno1)C1CCCCC1 ZINC000528775870 262974049 /nfs/dbraw/zinc/97/40/49/262974049.db2.gz YMZZGIIYXKTPAT-LBPRGKRZSA-N 0 3 236.359 3.323 20 0 BGADHN CC[C@H](NCc1cnc[nH]1)c1cc(C)ccc1C ZINC000528798369 388574952 /nfs/dbraw/zinc/57/49/52/388574952.db2.gz LSZJNSWSABQEEL-HNNXBMFYSA-N 0 3 243.354 3.267 20 0 BGADHN CC[C@H](NCc1c[nH]cn1)c1cc(C)ccc1C ZINC000528798369 388574950 /nfs/dbraw/zinc/57/49/50/388574950.db2.gz LSZJNSWSABQEEL-HNNXBMFYSA-N 0 3 243.354 3.267 20 0 BGADHN CC[C@@H](NCc1cnc[nH]1)c1cc(C)ccc1C ZINC000528798374 388575283 /nfs/dbraw/zinc/57/52/83/388575283.db2.gz LSZJNSWSABQEEL-OAHLLOKOSA-N 0 3 243.354 3.267 20 0 BGADHN CC[C@@H](NCc1c[nH]cn1)c1cc(C)ccc1C ZINC000528798374 388575281 /nfs/dbraw/zinc/57/52/81/388575281.db2.gz LSZJNSWSABQEEL-OAHLLOKOSA-N 0 3 243.354 3.267 20 0 BGADHN C[C@H](NCCc1ccccc1)c1ncccc1F ZINC000528822775 388576864 /nfs/dbraw/zinc/57/68/64/388576864.db2.gz AQCBYNKIFVXGNX-LBPRGKRZSA-N 0 3 244.313 3.114 20 0 BGADHN C[C@H](NCC1(C)CCC1)c1ncccc1F ZINC000528822981 262976560 /nfs/dbraw/zinc/97/65/60/262976560.db2.gz KCCJBLUNXKCBFP-JTQLQIEISA-N 0 3 222.307 3.062 20 0 BGADHN C[C@H](NCC12CCC(CC1)C2)c1ncccc1F ZINC000528823687 388577029 /nfs/dbraw/zinc/57/70/29/388577029.db2.gz NIMDOHXCNCCHIJ-BZUNDVKYSA-N 0 3 248.345 3.452 20 0 BGADHN C[C@H](NCCC1CCCC1)c1ncccc1F ZINC000528826632 388576600 /nfs/dbraw/zinc/57/66/00/388576600.db2.gz GLMCQNHCFMWRPI-NSHDSACASA-N 0 3 236.334 3.452 20 0 BGADHN CCC(CC)CN[C@@H](C)c1ncccc1F ZINC000528827373 388576954 /nfs/dbraw/zinc/57/69/54/388576954.db2.gz UVETXSSOZQHGMS-JTQLQIEISA-N 0 3 224.323 3.308 20 0 BGADHN C[C@H](NCCC(C)(C)C)c1ncccc1F ZINC000528828068 388577545 /nfs/dbraw/zinc/57/75/45/388577545.db2.gz LHUNTJDVWBEDDP-JTQLQIEISA-N 0 3 224.323 3.308 20 0 BGADHN CCN(C)Cc1cc(OC)cc(C(F)(F)F)c1 ZINC000529519773 324322165 /nfs/dbraw/zinc/32/21/65/324322165.db2.gz GXVGPPAZNFJQHV-UHFFFAOYSA-N 0 3 247.260 3.166 20 0 BGADHN CC1=CCN(Cc2ccc3cc[nH]c3c2)CC1 ZINC000529529966 324325317 /nfs/dbraw/zinc/32/53/17/324325317.db2.gz HKJDJPBMYRSZRG-UHFFFAOYSA-N 0 3 226.323 3.320 20 0 BGADHN CC1(NCc2ccc(F)cn2)CCCCC1 ZINC000529534774 324327921 /nfs/dbraw/zinc/32/79/21/324327921.db2.gz PPZLIFQTXXLGKG-UHFFFAOYSA-N 0 3 222.307 3.033 20 0 BGADHN Fc1ccc(CNCCC2=CCCCC2)nc1 ZINC000529536550 324329825 /nfs/dbraw/zinc/32/98/25/324329825.db2.gz ZBJBEVAHGOAUJR-UHFFFAOYSA-N 0 3 234.318 3.201 20 0 BGADHN Fc1ccc(CNCCCC2CCCC2)nc1 ZINC000529537026 324329942 /nfs/dbraw/zinc/32/99/42/324329942.db2.gz SEQAUURNWVCKDD-UHFFFAOYSA-N 0 3 236.334 3.281 20 0 BGADHN CC1CCC(C)(NCc2ccc(F)cn2)CC1 ZINC000529538114 324331107 /nfs/dbraw/zinc/33/11/07/324331107.db2.gz KPLFOZLUSJZSSP-UHFFFAOYSA-N 0 3 236.334 3.279 20 0 BGADHN CCC1(CNCc2ccc(F)cn2)CCCC1 ZINC000529538992 353777527 /nfs/dbraw/zinc/77/75/27/353777527.db2.gz AYZYZSVBLJSTDK-UHFFFAOYSA-N 0 3 236.334 3.281 20 0 BGADHN Fc1ccc(CN[C@H]2C[C@@H]2C2CCCCC2)nc1 ZINC000529541912 324332453 /nfs/dbraw/zinc/33/24/53/324332453.db2.gz MQLBDTKNMGFLKX-CABCVRRESA-N 0 3 248.345 3.279 20 0 BGADHN Fc1ccc(CN[C@H]2C[C@H]2C2CCCCC2)nc1 ZINC000529541913 324332642 /nfs/dbraw/zinc/33/26/42/324332642.db2.gz MQLBDTKNMGFLKX-GJZGRUSLSA-N 0 3 248.345 3.279 20 0 BGADHN Fc1ccc(CN[C@@H]2C[C@@H]2C2CCCCC2)nc1 ZINC000529541914 324332441 /nfs/dbraw/zinc/33/24/41/324332441.db2.gz MQLBDTKNMGFLKX-HUUCEWRRSA-N 0 3 248.345 3.279 20 0 BGADHN Fc1ccc(CN[C@@H]2C[C@H]2C2CCCCC2)nc1 ZINC000529541915 324332556 /nfs/dbraw/zinc/33/25/56/324332556.db2.gz MQLBDTKNMGFLKX-LSDHHAIUSA-N 0 3 248.345 3.279 20 0 BGADHN CC1(CNCc2ccc(F)cn2)CCCCC1 ZINC000529543423 324333580 /nfs/dbraw/zinc/33/35/80/324333580.db2.gz KUEDSAXEXZBKGT-UHFFFAOYSA-N 0 3 236.334 3.281 20 0 BGADHN Cc1ncc(CNC2(C)CCC(F)(F)CC2)o1 ZINC000529545058 324334281 /nfs/dbraw/zinc/33/42/81/324334281.db2.gz ZSJMFLMEXAIFDN-UHFFFAOYSA-N 0 3 244.285 3.041 20 0 BGADHN Fc1ccc(CN[C@@H]2CC[C@H]3CCC[C@H]3C2)nc1 ZINC000529546049 324336002 /nfs/dbraw/zinc/33/60/02/324336002.db2.gz DOCUALMUYLUBRN-MBNYWOFBSA-N 0 3 248.345 3.279 20 0 BGADHN Fc1ccc(CN[C@@H]2CC[C@@H]3CCC[C@@H]3C2)nc1 ZINC000529546050 324336142 /nfs/dbraw/zinc/33/61/42/324336142.db2.gz DOCUALMUYLUBRN-OUCADQQQSA-N 0 3 248.345 3.279 20 0 BGADHN Fc1ccc(CN[C@@H]2CC[C@@H]3CCC[C@H]3C2)nc1 ZINC000529546052 324336223 /nfs/dbraw/zinc/33/62/23/324336223.db2.gz DOCUALMUYLUBRN-SGMGOOAPSA-N 0 3 248.345 3.279 20 0 BGADHN Fc1ccc(CN[C@@H]2CC[C@H]3CCC[C@@H]3C2)nc1 ZINC000529546054 324335913 /nfs/dbraw/zinc/33/59/13/324335913.db2.gz DOCUALMUYLUBRN-YRGRVCCFSA-N 0 3 248.345 3.279 20 0 BGADHN C[C@H]1CCC[C@H](NCc2ccc(F)cn2)CC1 ZINC000529553062 324339821 /nfs/dbraw/zinc/33/98/21/324339821.db2.gz BRKIPRPJPYYPBE-AAEUAGOBSA-N 0 3 236.334 3.279 20 0 BGADHN C[C@@H]1CCC[C@@H](NCc2ccc(F)cn2)CC1 ZINC000529553063 324340025 /nfs/dbraw/zinc/34/00/25/324340025.db2.gz BRKIPRPJPYYPBE-DGCLKSJQSA-N 0 3 236.334 3.279 20 0 BGADHN C[C@H]1CCC[C@@H](NCc2ccc(F)cn2)CC1 ZINC000529553064 324340247 /nfs/dbraw/zinc/34/02/47/324340247.db2.gz BRKIPRPJPYYPBE-WCQYABFASA-N 0 3 236.334 3.279 20 0 BGADHN C[C@@H]1CCC[C@H](NCc2ccc(F)cn2)CC1 ZINC000529553065 324339690 /nfs/dbraw/zinc/33/96/90/324339690.db2.gz BRKIPRPJPYYPBE-YPMHNXCESA-N 0 3 236.334 3.279 20 0 BGADHN CC1=CCCN(Cc2ccc3cc[nH]c3c2)C1 ZINC000529558531 324341929 /nfs/dbraw/zinc/34/19/29/324341929.db2.gz UIKAJHLVFFGVTJ-UHFFFAOYSA-N 0 3 226.323 3.320 20 0 BGADHN C[C@@H]1C[C@@H](C)N1Cc1ccc2cc[nH]c2c1 ZINC000529558910 324341775 /nfs/dbraw/zinc/34/17/75/324341775.db2.gz UTKKESBSRIAOAX-GHMZBOCLSA-N 0 3 214.312 3.151 20 0 BGADHN C[C@@H]1C[C@H](C)N1Cc1ccc2cc[nH]c2c1 ZINC000529558911 324341455 /nfs/dbraw/zinc/34/14/55/324341455.db2.gz UTKKESBSRIAOAX-PHIMTYICSA-N 0 3 214.312 3.151 20 0 BGADHN C[C@H]1C[C@H](C)N1Cc1ccc2cc[nH]c2c1 ZINC000529558912 324341942 /nfs/dbraw/zinc/34/19/42/324341942.db2.gz UTKKESBSRIAOAX-QWRGUYRKSA-N 0 3 214.312 3.151 20 0 BGADHN c1cc2ccc(CN3CC(C4CCC4)C3)cc2[nH]1 ZINC000529564251 324344443 /nfs/dbraw/zinc/34/44/43/324344443.db2.gz FDOCMQUWEGCGKP-UHFFFAOYSA-N 0 3 240.350 3.400 20 0 BGADHN Cc1cc(CN2CC3(CCC3)[C@@H]2C(C)C)ccn1 ZINC000529575846 324348927 /nfs/dbraw/zinc/34/89/27/324348927.db2.gz VEUBRWKICPEAEL-HNNXBMFYSA-N 0 3 244.382 3.401 20 0 BGADHN Cc1cc(CN2CC3(CCC3)[C@H]2C(C)C)ccn1 ZINC000529575848 324348605 /nfs/dbraw/zinc/34/86/05/324348605.db2.gz VEUBRWKICPEAEL-OAHLLOKOSA-N 0 3 244.382 3.401 20 0 BGADHN CC[C@@H]1CCN1Cc1ccc2cc[nH]c2c1 ZINC000529578079 324349711 /nfs/dbraw/zinc/34/97/11/324349711.db2.gz BDLPNWXVTKGNRG-CYBMUJFWSA-N 0 3 214.312 3.152 20 0 BGADHN CC[C@H]1CCN1Cc1ccc2cc[nH]c2c1 ZINC000529578081 324349404 /nfs/dbraw/zinc/34/94/04/324349404.db2.gz BDLPNWXVTKGNRG-ZDUSSCGKSA-N 0 3 214.312 3.152 20 0 BGADHN Cc1ccoc1CN[C@H](C)C1CC(F)(F)C1 ZINC000529578526 324349760 /nfs/dbraw/zinc/34/97/60/324349760.db2.gz MAPXTLATKQBZSL-SECBINFHSA-N 0 3 229.270 3.111 20 0 BGADHN Cc1ccoc1CN[C@@H](C)C1CC(F)(F)C1 ZINC000529578527 324349561 /nfs/dbraw/zinc/34/95/61/324349561.db2.gz MAPXTLATKQBZSL-VIFPVBQESA-N 0 3 229.270 3.111 20 0 BGADHN Cc1cc(CN2CC(C)(C)[C@@H]2C2CC2)ccn1 ZINC000529579567 324350174 /nfs/dbraw/zinc/35/01/74/324350174.db2.gz ZJEJKJKOZPDMKN-AWEZNQCLSA-N 0 3 230.355 3.010 20 0 BGADHN Cc1cc(CN2CC(C)(C)[C@H]2C2CC2)ccn1 ZINC000529579569 324350223 /nfs/dbraw/zinc/35/02/23/324350223.db2.gz ZJEJKJKOZPDMKN-CQSZACIVSA-N 0 3 230.355 3.010 20 0 BGADHN Cc1cc(CN2CC3(CCC3)[C@@H]2C2CC2)ccn1 ZINC000529579577 324350321 /nfs/dbraw/zinc/35/03/21/324350321.db2.gz ZPTOZQWVERCCMM-HNNXBMFYSA-N 0 3 242.366 3.155 20 0 BGADHN Cc1cc(CN2CC3(CCC3)[C@H]2C2CC2)ccn1 ZINC000529579579 324350069 /nfs/dbraw/zinc/35/00/69/324350069.db2.gz ZPTOZQWVERCCMM-OAHLLOKOSA-N 0 3 242.366 3.155 20 0 BGADHN CC(C)(CCNCc1ccc(F)cn1)C1CC1 ZINC000529580185 324350141 /nfs/dbraw/zinc/35/01/41/324350141.db2.gz ASDMNXXYGPYTJS-UHFFFAOYSA-N 0 3 236.334 3.137 20 0 BGADHN FC[C@H]1CCCN1Cc1ccc2cc[nH]c2c1 ZINC000529581872 324350863 /nfs/dbraw/zinc/35/08/63/324350863.db2.gz FNAQKTLTFLNQNW-CYBMUJFWSA-N 0 3 232.302 3.102 20 0 BGADHN FC[C@@H]1CCCN1Cc1ccc2cc[nH]c2c1 ZINC000529581873 324351703 /nfs/dbraw/zinc/35/17/03/324351703.db2.gz FNAQKTLTFLNQNW-ZDUSSCGKSA-N 0 3 232.302 3.102 20 0 BGADHN Cc1cc(CN2CC(C)(C)[C@@H]2C(C)C)ccn1 ZINC000529582735 324351710 /nfs/dbraw/zinc/35/17/10/324351710.db2.gz DEFNRPVPWWSEFV-AWEZNQCLSA-N 0 3 232.371 3.256 20 0 BGADHN Cc1cc(CN2CC(C)(C)[C@H]2C(C)C)ccn1 ZINC000529582736 324351698 /nfs/dbraw/zinc/35/16/98/324351698.db2.gz DEFNRPVPWWSEFV-CQSZACIVSA-N 0 3 232.371 3.256 20 0 BGADHN CC1(C)CCC[C@@H]1CNCc1ccc(F)cn1 ZINC000529582999 324351612 /nfs/dbraw/zinc/35/16/12/324351612.db2.gz IAPUHUNSWKGKRT-LLVKDONJSA-N 0 3 236.334 3.137 20 0 BGADHN CC1(C)CCC[C@H]1CNCc1ccc(F)cn1 ZINC000529583000 324351538 /nfs/dbraw/zinc/35/15/38/324351538.db2.gz IAPUHUNSWKGKRT-NSHDSACASA-N 0 3 236.334 3.137 20 0 BGADHN CC(C)(C)C(C)(C)CNCc1ccc(F)cn1 ZINC000529589800 324355039 /nfs/dbraw/zinc/35/50/39/324355039.db2.gz ZGWNHOHOLDWPQS-UHFFFAOYSA-N 0 3 238.350 3.383 20 0 BGADHN CC(C)(CNCc1ccc(F)cn1)C1CCC1 ZINC000529591049 324355578 /nfs/dbraw/zinc/35/55/78/324355578.db2.gz DWALDCJFYUYEEQ-UHFFFAOYSA-N 0 3 236.334 3.137 20 0 BGADHN CC[C@H]1CC[C@H](NCc2ccc(F)cn2)CC1 ZINC000529592536 324356626 /nfs/dbraw/zinc/35/66/26/324356626.db2.gz WAWRCFAZAQBBJX-AULYBMBSSA-N 0 3 236.334 3.279 20 0 BGADHN CC[C@@H]1CCC[C@H]1CNCc1ccc(F)cn1 ZINC000529592803 324356399 /nfs/dbraw/zinc/35/63/99/324356399.db2.gz YJGCLCLXWGFVBQ-NEPJUHHUSA-N 0 3 236.334 3.137 20 0 BGADHN CC[C@H]1CCC[C@@H]1CNCc1ccc(F)cn1 ZINC000529592804 324356654 /nfs/dbraw/zinc/35/66/54/324356654.db2.gz YJGCLCLXWGFVBQ-NWDGAFQWSA-N 0 3 236.334 3.137 20 0 BGADHN CC[C@H]1CCC[C@H]1CNCc1ccc(F)cn1 ZINC000529592805 324356590 /nfs/dbraw/zinc/35/65/90/324356590.db2.gz YJGCLCLXWGFVBQ-RYUDHWBXSA-N 0 3 236.334 3.137 20 0 BGADHN CC[C@@H]1CCC[C@@H]1CNCc1ccc(F)cn1 ZINC000529592806 324356409 /nfs/dbraw/zinc/35/64/09/324356409.db2.gz YJGCLCLXWGFVBQ-VXGBXAGGSA-N 0 3 236.334 3.137 20 0 BGADHN CC(C)(C)C(C)(C)NCc1ccc(F)cn1 ZINC000529593098 324356577 /nfs/dbraw/zinc/35/65/77/324356577.db2.gz XIOJQAXZEPFOCU-UHFFFAOYSA-N 0 3 224.323 3.135 20 0 BGADHN Cc1cc(CN2C[C@H](C3CC3)[C@@H]2C2CC2)ccn1 ZINC000529597030 324358071 /nfs/dbraw/zinc/35/80/71/324358071.db2.gz VBOLWWFZGIGXFG-CVEARBPZSA-N 0 3 242.366 3.010 20 0 BGADHN Cc1cc(CN2C[C@@H](C3CC3)[C@@H]2C2CC2)ccn1 ZINC000529597031 324358109 /nfs/dbraw/zinc/35/81/09/324358109.db2.gz VBOLWWFZGIGXFG-HOTGVXAUSA-N 0 3 242.366 3.010 20 0 BGADHN Cc1cc(CN2C[C@H](C3CC3)[C@H]2C2CC2)ccn1 ZINC000529597032 324357901 /nfs/dbraw/zinc/35/79/01/324357901.db2.gz VBOLWWFZGIGXFG-HZPDHXFCSA-N 0 3 242.366 3.010 20 0 BGADHN Cc1cc(CN2C[C@@H](C3CC3)[C@H]2C2CC2)ccn1 ZINC000529597033 324357938 /nfs/dbraw/zinc/35/79/38/324357938.db2.gz VBOLWWFZGIGXFG-JKSUJKDBSA-N 0 3 242.366 3.010 20 0 BGADHN CCC1(CC)CN(Cc2ccnc(C)c2)C1 ZINC000529598086 324359133 /nfs/dbraw/zinc/35/91/33/324359133.db2.gz CBRRCWXRFIYTBC-UHFFFAOYSA-N 0 3 218.344 3.012 20 0 BGADHN CC(C)(CNCc1ccc(F)cn1)C1=CCCC1 ZINC000529600631 324359939 /nfs/dbraw/zinc/35/99/39/324359939.db2.gz KWHNWMLXGYVHHH-UHFFFAOYSA-N 0 3 248.345 3.447 20 0 BGADHN Cc1cc(CN2CC(C3CCCC3)C2)ccn1 ZINC000529600744 324360167 /nfs/dbraw/zinc/36/01/67/324360167.db2.gz AXKOQVUEEVCXLC-UHFFFAOYSA-N 0 3 230.355 3.012 20 0 BGADHN Fc1ccc(CNCC2(C3CCC3)CCC2)nc1 ZINC000529601194 324359670 /nfs/dbraw/zinc/35/96/70/324359670.db2.gz MDOFOQWVWDQTNM-UHFFFAOYSA-N 0 3 248.345 3.281 20 0 BGADHN C[C@@H](N[C@@H](C)c1nccs1)C1CC(F)(F)C1 ZINC000529602249 324360680 /nfs/dbraw/zinc/36/06/80/324360680.db2.gz BMUXSXUDSNCQQO-SFYZADRCSA-N 0 3 246.326 3.228 20 0 BGADHN C[C@H](N[C@@H](C)C1CC(F)(F)C1)c1nccs1 ZINC000529602250 324360773 /nfs/dbraw/zinc/36/07/73/324360773.db2.gz BMUXSXUDSNCQQO-YUMQZZPRSA-N 0 3 246.326 3.228 20 0 BGADHN CCC1CN(Cc2ccc3cc[nH]c3c2)C1 ZINC000529602290 324360542 /nfs/dbraw/zinc/36/05/42/324360542.db2.gz RJLPFZOYRMYZDX-UHFFFAOYSA-N 0 3 214.312 3.010 20 0 BGADHN Cc1cc(CN2CC(C3CCCCC3)C2)ccn1 ZINC000529603192 324360782 /nfs/dbraw/zinc/36/07/82/324360782.db2.gz XEEMVFARQUPRTJ-UHFFFAOYSA-N 0 3 244.382 3.402 20 0 BGADHN Fc1ccc(CNC[C@H]2CCC[C@H]2C2CC2)nc1 ZINC000529607237 324362666 /nfs/dbraw/zinc/36/26/66/324362666.db2.gz XIFIJKZQSPZPNQ-DOMZBBRYSA-N 0 3 248.345 3.137 20 0 BGADHN Fc1ccc(CNC[C@H]2CCC[C@@H]2C2CC2)nc1 ZINC000529607239 324362584 /nfs/dbraw/zinc/36/25/84/324362584.db2.gz XIFIJKZQSPZPNQ-IUODEOHRSA-N 0 3 248.345 3.137 20 0 BGADHN Fc1ccc(CNC[C@@H]2CCC[C@@H]2C2CC2)nc1 ZINC000529607240 323185078 /nfs/dbraw/zinc/18/50/78/323185078.db2.gz XIFIJKZQSPZPNQ-SWLSCSKDSA-N 0 3 248.345 3.137 20 0 BGADHN Fc1ccc(CNC[C@@H]2CCC[C@H]2C2CC2)nc1 ZINC000529607249 323185080 /nfs/dbraw/zinc/18/50/80/323185080.db2.gz XIFIJKZQSPZPNQ-WFASDCNBSA-N 0 3 248.345 3.137 20 0 BGADHN CCC1(C)CN(Cc2ccc3cc[nH]c3c2)C1 ZINC000529607905 324362688 /nfs/dbraw/zinc/36/26/88/324362688.db2.gz JFVKIWABRYOIMG-UHFFFAOYSA-N 0 3 228.339 3.400 20 0 BGADHN Fc1ccc(CNC[C@@H]2CC3CCC2CC3)nc1 ZINC000529611264 324364100 /nfs/dbraw/zinc/36/41/00/324364100.db2.gz RNVSKLZNLOVTBF-BPCQOVAHSA-N 0 3 248.345 3.137 20 0 BGADHN Fc1ccc(CNC[C@H]2CC3CCC2CC3)nc1 ZINC000529611265 324364571 /nfs/dbraw/zinc/36/45/71/324364571.db2.gz RNVSKLZNLOVTBF-WXRRBKDZSA-N 0 3 248.345 3.137 20 0 BGADHN c1cc2ccc(CN3CC(CC4CC4)C3)cc2[nH]1 ZINC000529620573 324366216 /nfs/dbraw/zinc/36/62/16/324366216.db2.gz HLARXYLOYRVVNE-UHFFFAOYSA-N 0 3 240.350 3.400 20 0 BGADHN C[C@@H](N[C@H](C)C1CC(F)(F)C1)c1cscn1 ZINC000529621264 324365430 /nfs/dbraw/zinc/36/54/30/324365430.db2.gz LZAOOQCJCNEAOE-HTQZYQBOSA-N 0 3 246.326 3.228 20 0 BGADHN C[C@@H](N[C@@H](C)C1CC(F)(F)C1)c1cscn1 ZINC000529621265 324365677 /nfs/dbraw/zinc/36/56/77/324365677.db2.gz LZAOOQCJCNEAOE-JGVFFNPUSA-N 0 3 246.326 3.228 20 0 BGADHN C[C@@H](N[C@@H](C)c1cscn1)C1CC(F)(F)C1 ZINC000529621267 324365749 /nfs/dbraw/zinc/36/57/49/324365749.db2.gz LZAOOQCJCNEAOE-SFYZADRCSA-N 0 3 246.326 3.228 20 0 BGADHN C[C@H](N[C@@H](C)C1CC(F)(F)C1)c1cscn1 ZINC000529621269 324366184 /nfs/dbraw/zinc/36/61/84/324366184.db2.gz LZAOOQCJCNEAOE-YUMQZZPRSA-N 0 3 246.326 3.228 20 0 BGADHN Cc1ncc(CNCC(C2CCC2)C2CCC2)o1 ZINC000529636611 324368061 /nfs/dbraw/zinc/36/80/61/324368061.db2.gz DUSQYHVICKFBIC-UHFFFAOYSA-N 0 3 248.370 3.289 20 0 BGADHN Cc1cc(CNCC(C2CCC2)C2CCC2)no1 ZINC000529637085 324367904 /nfs/dbraw/zinc/36/79/04/324367904.db2.gz OAVLOCFNENREAX-UHFFFAOYSA-N 0 3 248.370 3.289 20 0 BGADHN Cc1ncc(CNCC[C@H]2CCCC2(C)C)o1 ZINC000529637809 324368761 /nfs/dbraw/zinc/36/87/61/324368761.db2.gz FRLGSYFRNXPXSI-GFCCVEGCSA-N 0 3 236.359 3.289 20 0 BGADHN Cc1ncc(CNCC[C@@H]2CCCC2(C)C)o1 ZINC000529637810 324368959 /nfs/dbraw/zinc/36/89/59/324368959.db2.gz FRLGSYFRNXPXSI-LBPRGKRZSA-N 0 3 236.359 3.289 20 0 BGADHN CCC(NCc1cnc(C)o1)(C1CC1)C1CC1 ZINC000529639403 324368877 /nfs/dbraw/zinc/36/88/77/324368877.db2.gz CPKCBLBYVMWENJ-UHFFFAOYSA-N 0 3 234.343 3.041 20 0 BGADHN CCC(NCc1cc(C)on1)(C1CC1)C1CC1 ZINC000529642497 324369934 /nfs/dbraw/zinc/36/99/34/324369934.db2.gz UBCCQIUWVYIVHX-UHFFFAOYSA-N 0 3 234.343 3.041 20 0 BGADHN CC(C)CCCN1CC(Cc2ccco2)C1 ZINC000529648915 324371467 /nfs/dbraw/zinc/37/14/67/324371467.db2.gz LFVVLZIPMXNVRV-UHFFFAOYSA-N 0 3 221.344 3.190 20 0 BGADHN Cc1ccc(CN2CC(Cc3ccco3)C2)s1 ZINC000529650859 324372633 /nfs/dbraw/zinc/37/26/33/324372633.db2.gz IGQJRXFWPSRSGU-UHFFFAOYSA-N 0 3 247.363 3.324 20 0 BGADHN Cc1ccc(CN2CC(Cc3ccco3)C2)cc1 ZINC000529651798 324372314 /nfs/dbraw/zinc/37/23/14/324372314.db2.gz KORGCDNVRUGBAX-UHFFFAOYSA-N 0 3 241.334 3.263 20 0 BGADHN Cc1ccccc1CN1CC(Cc2ccco2)C1 ZINC000529652756 324372609 /nfs/dbraw/zinc/37/26/09/324372609.db2.gz OWDHUDAEWCTTQU-UHFFFAOYSA-N 0 3 241.334 3.263 20 0 BGADHN Cc1ccsc1CN1CC(Cc2ccco2)C1 ZINC000529652823 324372486 /nfs/dbraw/zinc/37/24/86/324372486.db2.gz QTOLZQLJORGXNV-UHFFFAOYSA-N 0 3 247.363 3.324 20 0 BGADHN Cc1cccc(CN2CC(Cc3ccco3)C2)c1 ZINC000529654542 324372209 /nfs/dbraw/zinc/37/22/09/324372209.db2.gz XWWLRHFISWMAIW-UHFFFAOYSA-N 0 3 241.334 3.263 20 0 BGADHN Cc1nc(C)c(CNCC[C@@H]2CC=CCC2)o1 ZINC000529661893 324372700 /nfs/dbraw/zinc/37/27/00/324372700.db2.gz BAQYENYLSZZPID-CYBMUJFWSA-N 0 3 234.343 3.127 20 0 BGADHN Cc1nc(C)c(CNCC[C@H]2CC=CCC2)o1 ZINC000529661896 324372248 /nfs/dbraw/zinc/37/22/48/324372248.db2.gz BAQYENYLSZZPID-ZDUSSCGKSA-N 0 3 234.343 3.127 20 0 BGADHN Cc1n[nH]cc1CN(C)C[C@@H](C)C1CCCCC1 ZINC000529672800 324375921 /nfs/dbraw/zinc/37/59/21/324375921.db2.gz QKMLPYPLMQZTDG-GFCCVEGCSA-N 0 3 249.402 3.366 20 0 BGADHN Cc1n[nH]cc1CN(C)C[C@H](C)C1CCCCC1 ZINC000529672801 324375512 /nfs/dbraw/zinc/37/55/12/324375512.db2.gz QKMLPYPLMQZTDG-LBPRGKRZSA-N 0 3 249.402 3.366 20 0 BGADHN Cc1c[nH]nc1CN(C)C[C@@H](C)C1CCCCC1 ZINC000529677526 324377105 /nfs/dbraw/zinc/37/71/05/324377105.db2.gz WYDPVDBUJKVXCN-CYBMUJFWSA-N 0 3 249.402 3.366 20 0 BGADHN Cc1c[nH]nc1CN(C)C[C@H](C)C1CCCCC1 ZINC000529677527 324377019 /nfs/dbraw/zinc/37/70/19/324377019.db2.gz WYDPVDBUJKVXCN-ZDUSSCGKSA-N 0 3 249.402 3.366 20 0 BGADHN C[C@H](N[C@@H](C)C1CCC1)c1ncccc1F ZINC000529686591 324377071 /nfs/dbraw/zinc/37/70/71/324377071.db2.gz AMSXUGPVTOXKIT-UWVGGRQHSA-N 0 3 222.307 3.060 20 0 BGADHN C[C@@H](N[C@@H](C)c1ncccc1F)C1CCC1 ZINC000529686592 324376940 /nfs/dbraw/zinc/37/69/40/324376940.db2.gz AMSXUGPVTOXKIT-ZJUUUORDSA-N 0 3 222.307 3.060 20 0 BGADHN CC1=CC[C@@H](N[C@@H](C)c2ncccc2F)CC1 ZINC000529688062 324376820 /nfs/dbraw/zinc/37/68/20/324376820.db2.gz HEBBIHHYNCIYGO-NWDGAFQWSA-N 0 3 234.318 3.370 20 0 BGADHN CC1=CC[C@H](N[C@@H](C)c2ncccc2F)CC1 ZINC000529688063 324376907 /nfs/dbraw/zinc/37/69/07/324376907.db2.gz HEBBIHHYNCIYGO-RYUDHWBXSA-N 0 3 234.318 3.370 20 0 BGADHN CCC(CC)N[C@@H](C)c1ncccc1F ZINC000529688640 324377796 /nfs/dbraw/zinc/37/77/96/324377796.db2.gz JOARQZNGYQOFGR-VIFPVBQESA-N 0 3 210.296 3.060 20 0 BGADHN C[C@H](NC1CC2(CCC2)C1)c1ncccc1F ZINC000529690039 324377608 /nfs/dbraw/zinc/37/76/08/324377608.db2.gz RUWYPGZVZODDGL-JTQLQIEISA-N 0 3 234.318 3.204 20 0 BGADHN CCC[C@@H](C)CNc1ccc2c(c1)OCCNC2 ZINC000530180647 388622937 /nfs/dbraw/zinc/62/29/37/388622937.db2.gz BEFNVBQBGRLYRB-GFCCVEGCSA-N 0 3 248.370 3.017 20 0 BGADHN CCC[C@H](C)CNc1ccc2c(c1)OCCNC2 ZINC000530180648 324511971 /nfs/dbraw/zinc/51/19/71/324511971.db2.gz BEFNVBQBGRLYRB-LBPRGKRZSA-N 0 3 248.370 3.017 20 0 BGADHN CCC(CC)CNc1ccc2c(c1)OCCNC2 ZINC000530180672 388622757 /nfs/dbraw/zinc/62/27/57/388622757.db2.gz BPPPTPWLGSNWEB-UHFFFAOYSA-N 0 3 248.370 3.017 20 0 BGADHN CC(C)CCCNc1ccc2c(c1)OCCNC2 ZINC000530247378 323220158 /nfs/dbraw/zinc/22/01/58/323220158.db2.gz RDMCDCBOFPJNLV-UHFFFAOYSA-N 0 3 248.370 3.017 20 0 BGADHN CC(C)(C)CCNc1ccc2c(c1)OCCNC2 ZINC000530247782 324557817 /nfs/dbraw/zinc/55/78/17/324557817.db2.gz YXJRKKUYRNFZRL-UHFFFAOYSA-N 0 3 248.370 3.017 20 0 BGADHN COC(C)(C)c1ccc(C2=CCN(C)CC2)cc1 ZINC000530248400 388639715 /nfs/dbraw/zinc/63/97/15/388639715.db2.gz LYOQJSSPMZXVSS-UHFFFAOYSA-N 0 3 245.366 3.287 20 0 BGADHN Fc1ccc([C@@H]2CCN(CC3(F)CC3)C2)cc1 ZINC000530286805 388647048 /nfs/dbraw/zinc/64/70/48/388647048.db2.gz ZNHYGCZJVBSWSN-GFCCVEGCSA-N 0 3 237.293 3.117 20 0 BGADHN Fc1ccc([C@H]2CCN(CC3(F)CC3)C2)cc1 ZINC000530286809 388647445 /nfs/dbraw/zinc/64/74/45/388647445.db2.gz ZNHYGCZJVBSWSN-LBPRGKRZSA-N 0 3 237.293 3.117 20 0 BGADHN C[C@@H]1CCC[C@H](C)[C@H]1NCc1ncccc1F ZINC000530424017 324594412 /nfs/dbraw/zinc/59/44/12/324594412.db2.gz OECOHNLRUOHMEK-YABSGUDNSA-N 0 3 236.334 3.135 20 0 BGADHN C[C@H](N[C@H](CO)CCC(C)(C)C)c1ccoc1 ZINC000530424923 324594449 /nfs/dbraw/zinc/59/44/49/324594449.db2.gz JMYMZRRXKUGBSW-AAEUAGOBSA-N 0 3 239.359 3.117 20 0 BGADHN C[C@@H](N[C@@H](CO)CCC(C)(C)C)c1ccoc1 ZINC000530424924 388654590 /nfs/dbraw/zinc/65/45/90/388654590.db2.gz JMYMZRRXKUGBSW-DGCLKSJQSA-N 0 3 239.359 3.117 20 0 BGADHN C[C@H](N[C@@H](CO)CCC(C)(C)C)c1ccoc1 ZINC000530424925 388654748 /nfs/dbraw/zinc/65/47/48/388654748.db2.gz JMYMZRRXKUGBSW-WCQYABFASA-N 0 3 239.359 3.117 20 0 BGADHN C[C@@H](N[C@H](CO)CCC(C)(C)C)c1ccoc1 ZINC000530424926 324594925 /nfs/dbraw/zinc/59/49/25/324594925.db2.gz JMYMZRRXKUGBSW-YPMHNXCESA-N 0 3 239.359 3.117 20 0 BGADHN CCc1cc(CN[C@@H]2CCC23CCCC3)on1 ZINC000530439724 342734106 /nfs/dbraw/zinc/73/41/06/342734106.db2.gz LIMZRDCYJAEPPX-CYBMUJFWSA-N 0 3 234.343 3.049 20 0 BGADHN CCc1cc(CN[C@H]2CCC23CCCC3)on1 ZINC000530439725 342734095 /nfs/dbraw/zinc/73/40/95/342734095.db2.gz LIMZRDCYJAEPPX-ZDUSSCGKSA-N 0 3 234.343 3.049 20 0 BGADHN CCN(Cc1ccc(C)cc1)C[C@H]1CC[C@@H](C)O1 ZINC000530443504 384020485 /nfs/dbraw/zinc/02/04/85/384020485.db2.gz VLWXNLBYUWEFTK-GDBMZVCRSA-N 0 3 247.382 3.384 20 0 BGADHN CCN(Cc1ccc(C)cc1)C[C@H]1CC[C@H](C)O1 ZINC000530443505 384021496 /nfs/dbraw/zinc/02/14/96/384021496.db2.gz VLWXNLBYUWEFTK-GOEBONIOSA-N 0 3 247.382 3.384 20 0 BGADHN CCN(Cc1ccc(C)cc1)C[C@@H]1CC[C@H](C)O1 ZINC000530443506 384019697 /nfs/dbraw/zinc/01/96/97/384019697.db2.gz VLWXNLBYUWEFTK-HOCLYGCPSA-N 0 3 247.382 3.384 20 0 BGADHN CCN(Cc1ccc(C)cc1)C[C@@H]1CC[C@@H](C)O1 ZINC000530443507 384021200 /nfs/dbraw/zinc/02/12/00/384021200.db2.gz VLWXNLBYUWEFTK-ZBFHGGJFSA-N 0 3 247.382 3.384 20 0 BGADHN CC[C@H]1CCCC[C@@H]1NCc1ncccc1F ZINC000530471501 384104555 /nfs/dbraw/zinc/10/45/55/384104555.db2.gz AEIDVVMBVOKNKU-AAEUAGOBSA-N 0 3 236.334 3.279 20 0 BGADHN CC[C@@H]1CCCC[C@H]1NCc1ncccc1F ZINC000530471502 384103842 /nfs/dbraw/zinc/10/38/42/384103842.db2.gz AEIDVVMBVOKNKU-DGCLKSJQSA-N 0 3 236.334 3.279 20 0 BGADHN CC[C@H]1CCCC[C@H]1NCc1ncccc1F ZINC000530471503 384103682 /nfs/dbraw/zinc/10/36/82/384103682.db2.gz AEIDVVMBVOKNKU-WCQYABFASA-N 0 3 236.334 3.279 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1NCc1ncccc1F ZINC000530471504 384104088 /nfs/dbraw/zinc/10/40/88/384104088.db2.gz AEIDVVMBVOKNKU-YPMHNXCESA-N 0 3 236.334 3.279 20 0 BGADHN Fc1cccnc1CN[C@@H]1CCC12CCCC2 ZINC000530524238 384450949 /nfs/dbraw/zinc/45/09/49/384450949.db2.gz XNIPILJDEPOZIO-CYBMUJFWSA-N 0 3 234.318 3.033 20 0 BGADHN Fc1cccnc1CN[C@H]1CCC12CCCC2 ZINC000530524239 322826096 /nfs/dbraw/zinc/82/60/96/322826096.db2.gz XNIPILJDEPOZIO-ZDUSSCGKSA-N 0 3 234.318 3.033 20 0 BGADHN CCC1(CC)CCC(NCc2ccn(C)n2)CC1 ZINC000530545762 322845094 /nfs/dbraw/zinc/84/50/94/322845094.db2.gz SOOHCSREKRRBNW-UHFFFAOYSA-N 0 3 249.402 3.259 20 0 BGADHN COc1cccc(CN2CCC[C@H]2CC(C)C)n1 ZINC000530669905 385009890 /nfs/dbraw/zinc/00/98/90/385009890.db2.gz WVXFDRHNTPBMNE-AWEZNQCLSA-N 0 3 248.370 3.101 20 0 BGADHN COc1cccc(CN2CCC[C@@H]2CC(C)C)n1 ZINC000530669910 385009113 /nfs/dbraw/zinc/00/91/13/385009113.db2.gz WVXFDRHNTPBMNE-CQSZACIVSA-N 0 3 248.370 3.101 20 0 BGADHN CC(C)OC1CCN([C@H](C)c2cccnc2)CC1 ZINC000530686307 385012251 /nfs/dbraw/zinc/01/22/51/385012251.db2.gz XLWOMLMNPOFICP-CYBMUJFWSA-N 0 3 248.370 3.032 20 0 BGADHN CC(C)OC1CCN([C@@H](C)c2cccnc2)CC1 ZINC000530686310 385013385 /nfs/dbraw/zinc/01/33/85/385013385.db2.gz XLWOMLMNPOFICP-ZDUSSCGKSA-N 0 3 248.370 3.032 20 0 BGADHN CCCCOCCN1CCC[C@H]1c1ccccn1 ZINC000530725052 385022803 /nfs/dbraw/zinc/02/28/03/385022803.db2.gz ISNGYLYFWHUCSM-HNNXBMFYSA-N 0 3 248.370 3.035 20 0 BGADHN CCCCOCCN1CCC[C@@H]1c1ccccn1 ZINC000530725053 385022181 /nfs/dbraw/zinc/02/21/81/385022181.db2.gz ISNGYLYFWHUCSM-OAHLLOKOSA-N 0 3 248.370 3.035 20 0 BGADHN C[C@@H]1CN(Cc2ccccc2Cl)C[C@H]1C ZINC000530733401 343205684 /nfs/dbraw/zinc/20/56/84/343205684.db2.gz MEQRUSFGDUVILT-GHMZBOCLSA-N 0 3 223.747 3.428 20 0 BGADHN C[C@H]1CN(Cc2ccccc2Cl)C[C@H]1C ZINC000530733402 343205847 /nfs/dbraw/zinc/20/58/47/343205847.db2.gz MEQRUSFGDUVILT-PHIMTYICSA-N 0 3 223.747 3.428 20 0 BGADHN C[C@H]1CN(Cc2ccccc2Cl)C[C@@H]1C ZINC000530733403 343205803 /nfs/dbraw/zinc/20/58/03/343205803.db2.gz MEQRUSFGDUVILT-QWRGUYRKSA-N 0 3 223.747 3.428 20 0 BGADHN CC[C@H](C)CN(C)Cc1cc(F)ccc1F ZINC000530756213 385044551 /nfs/dbraw/zinc/04/45/51/385044551.db2.gz SKQKCDVCFOXCRK-JTQLQIEISA-N 0 3 227.298 3.443 20 0 BGADHN CC[C@@H](C)CN(C)Cc1cc(F)ccc1F ZINC000530756214 385043027 /nfs/dbraw/zinc/04/30/27/385043027.db2.gz SKQKCDVCFOXCRK-SNVBAGLBSA-N 0 3 227.298 3.443 20 0 BGADHN CC(C)=CCN1CC[C@H]1c1ccccc1 ZINC000530902347 385157853 /nfs/dbraw/zinc/15/78/53/385157853.db2.gz GNFKMCGLDOBRNJ-AWEZNQCLSA-N 0 3 201.313 3.400 20 0 BGADHN CC(C)=CCN1CC[C@@H]1c1ccccc1 ZINC000530902350 385158437 /nfs/dbraw/zinc/15/84/37/385158437.db2.gz GNFKMCGLDOBRNJ-CQSZACIVSA-N 0 3 201.313 3.400 20 0 BGADHN Cc1ccc(CN2CCC(OC(C)C)CC2)cc1 ZINC000530925910 385173540 /nfs/dbraw/zinc/17/35/40/385173540.db2.gz UNRLEAQJXMCVEJ-UHFFFAOYSA-N 0 3 247.382 3.384 20 0 BGADHN CC(C)(C)OCCN1CCC[C@H]1c1ccccn1 ZINC000530962701 384189197 /nfs/dbraw/zinc/18/91/97/384189197.db2.gz FCBLMVDSZCYRTE-AWEZNQCLSA-N 0 3 248.370 3.034 20 0 BGADHN CC(C)(C)OCCN1CCC[C@@H]1c1ccccn1 ZINC000530962702 384189627 /nfs/dbraw/zinc/18/96/27/384189627.db2.gz FCBLMVDSZCYRTE-CQSZACIVSA-N 0 3 248.370 3.034 20 0 BGADHN c1ccc([C@H]2CCCN2[C@H]2C=CCCC2)nc1 ZINC000530963485 384194432 /nfs/dbraw/zinc/19/44/32/384194432.db2.gz VDZHHKJTEJNKFT-DZGCQCFKSA-N 0 3 228.339 3.327 20 0 BGADHN c1ccc([C@@H]2CCCN2[C@@H]2C=CCCC2)nc1 ZINC000530963486 384194447 /nfs/dbraw/zinc/19/44/47/384194447.db2.gz VDZHHKJTEJNKFT-HIFRSBDPSA-N 0 3 228.339 3.327 20 0 BGADHN c1ccc([C@H]2CCCN2[C@@H]2C=CCCC2)nc1 ZINC000530963487 384194817 /nfs/dbraw/zinc/19/48/17/384194817.db2.gz VDZHHKJTEJNKFT-UKRRQHHQSA-N 0 3 228.339 3.327 20 0 BGADHN c1ccc([C@@H]2CCCN2[C@H]2C=CCCC2)nc1 ZINC000530963488 384194253 /nfs/dbraw/zinc/19/42/53/384194253.db2.gz VDZHHKJTEJNKFT-ZFWWWQNUSA-N 0 3 228.339 3.327 20 0 BGADHN C[C@@H]1CN(Cc2ccc(Cl)cc2)C[C@H]1C ZINC000530971273 384527509 /nfs/dbraw/zinc/52/75/09/384527509.db2.gz KOTCLCUTFORVTC-GHMZBOCLSA-N 0 3 223.747 3.428 20 0 BGADHN C[C@H]1CN(Cc2ccc(Cl)cc2)C[C@H]1C ZINC000530971274 384526728 /nfs/dbraw/zinc/52/67/28/384526728.db2.gz KOTCLCUTFORVTC-PHIMTYICSA-N 0 3 223.747 3.428 20 0 BGADHN C[C@H]1CN(Cc2ccc(Cl)cc2)C[C@@H]1C ZINC000530971275 384528390 /nfs/dbraw/zinc/52/83/90/384528390.db2.gz KOTCLCUTFORVTC-QWRGUYRKSA-N 0 3 223.747 3.428 20 0 BGADHN C[C@@H]1C[C@@H](C)CN(Cc2cc(F)ccc2F)C1 ZINC000530995008 322955374 /nfs/dbraw/zinc/95/53/74/322955374.db2.gz ZURMKCYIEZAVEA-GHMZBOCLSA-N 0 3 239.309 3.443 20 0 BGADHN C[C@@H]1C[C@H](C)CN(Cc2cc(F)ccc2F)C1 ZINC000530995009 398210300 /nfs/dbraw/zinc/21/03/00/398210300.db2.gz ZURMKCYIEZAVEA-PHIMTYICSA-N 0 3 239.309 3.443 20 0 BGADHN C[C@H]1C[C@H](C)CN(Cc2cc(F)ccc2F)C1 ZINC000530995010 398210247 /nfs/dbraw/zinc/21/02/47/398210247.db2.gz ZURMKCYIEZAVEA-QWRGUYRKSA-N 0 3 239.309 3.443 20 0 BGADHN Cc1cccc(CN2CCC(OC(C)C)CC2)c1 ZINC000531163771 323079358 /nfs/dbraw/zinc/07/93/58/323079358.db2.gz VAPJRLBLIOZOET-UHFFFAOYSA-N 0 3 247.382 3.384 20 0 BGADHN C(=C/c1ccccc1)\CN1CCC12CCC2 ZINC000531178196 323079452 /nfs/dbraw/zinc/07/94/52/323079452.db2.gz FWMMWTDAIMIHTJ-XBXARRHUSA-N 0 3 213.324 3.328 20 0 BGADHN C(=C\c1ccccc1)\CN1CCC12CCC2 ZINC000531178197 323079428 /nfs/dbraw/zinc/07/94/28/323079428.db2.gz FWMMWTDAIMIHTJ-YWEYNIOJSA-N 0 3 213.324 3.328 20 0 BGADHN C[C@@H]1CN(Cc2cccc(Cl)c2)C[C@H]1C ZINC000531210064 323085774 /nfs/dbraw/zinc/08/57/74/323085774.db2.gz KLGJQDWBXXJDGG-GHMZBOCLSA-N 0 3 223.747 3.428 20 0 BGADHN C[C@H]1CN(Cc2cccc(Cl)c2)C[C@H]1C ZINC000531210065 323085768 /nfs/dbraw/zinc/08/57/68/323085768.db2.gz KLGJQDWBXXJDGG-PHIMTYICSA-N 0 3 223.747 3.428 20 0 BGADHN C[C@H]1CN(Cc2cccc(Cl)c2)C[C@@H]1C ZINC000531210066 323085779 /nfs/dbraw/zinc/08/57/79/323085779.db2.gz KLGJQDWBXXJDGG-QWRGUYRKSA-N 0 3 223.747 3.428 20 0 BGADHN CC(C)=CCN1CC[C@H]1Cc1ccccc1 ZINC000531233648 323086207 /nfs/dbraw/zinc/08/62/07/323086207.db2.gz KFUJJDQCCSNTLA-HNNXBMFYSA-N 0 3 215.340 3.270 20 0 BGADHN CC(C)=CCN1CC[C@@H]1Cc1ccccc1 ZINC000531233649 323086199 /nfs/dbraw/zinc/08/61/99/323086199.db2.gz KFUJJDQCCSNTLA-OAHLLOKOSA-N 0 3 215.340 3.270 20 0 BGADHN CC[C@H](C)CN(C)Cc1ccc(F)cc1F ZINC000531248283 347869819 /nfs/dbraw/zinc/86/98/19/347869819.db2.gz LOCWNCSMZXVTDI-JTQLQIEISA-N 0 3 227.298 3.443 20 0 BGADHN CC[C@@H](C)CN(C)Cc1ccc(F)cc1F ZINC000531248284 347869636 /nfs/dbraw/zinc/86/96/36/347869636.db2.gz LOCWNCSMZXVTDI-SNVBAGLBSA-N 0 3 227.298 3.443 20 0 BGADHN c1cc(CNCc2cc3c(s2)CCCC3)c[nH]1 ZINC000531257055 347881854 /nfs/dbraw/zinc/88/18/54/347881854.db2.gz XABSUISVQTXDCQ-UHFFFAOYSA-N 0 3 246.379 3.245 20 0 BGADHN CN(CCC1CCCC1)Cc1cccc(O)c1 ZINC000531378581 323088308 /nfs/dbraw/zinc/08/83/08/323088308.db2.gz AQXWLENIEHRXJB-UHFFFAOYSA-N 0 3 233.355 3.404 20 0 BGADHN CCCCOCCN1CCc2ccccc2[C@@H]1C ZINC000531378802 323088392 /nfs/dbraw/zinc/08/83/92/323088392.db2.gz RDDVBNHGYBTTLU-AWEZNQCLSA-N 0 3 247.382 3.422 20 0 BGADHN CCCCOCCN1CCc2ccccc2[C@H]1C ZINC000531378803 323088361 /nfs/dbraw/zinc/08/83/61/323088361.db2.gz RDDVBNHGYBTTLU-CQSZACIVSA-N 0 3 247.382 3.422 20 0 BGADHN CC(C)OC1CCN(Cc2ccccc2)CC1 ZINC000531402153 348626205 /nfs/dbraw/zinc/62/62/05/348626205.db2.gz CVJXMHQLJSEEHC-UHFFFAOYSA-N 0 3 233.355 3.076 20 0 BGADHN COCCCCCN1CCC[C@H]1c1ccccn1 ZINC000531440474 323089755 /nfs/dbraw/zinc/08/97/55/323089755.db2.gz HNAJXCHVTPJGKY-HNNXBMFYSA-N 0 3 248.370 3.035 20 0 BGADHN COCCCCCN1CCC[C@@H]1c1ccccn1 ZINC000531440477 323089844 /nfs/dbraw/zinc/08/98/44/323089844.db2.gz HNAJXCHVTPJGKY-OAHLLOKOSA-N 0 3 248.370 3.035 20 0 BGADHN CC(C)=CCN1CCC[C@H]1c1ccccn1 ZINC000531440731 323089689 /nfs/dbraw/zinc/08/96/89/323089689.db2.gz YHHMEDHVYBIFQY-AWEZNQCLSA-N 0 3 216.328 3.185 20 0 BGADHN CC(C)=CCN1CCC[C@@H]1c1ccccn1 ZINC000531440732 323089720 /nfs/dbraw/zinc/08/97/20/323089720.db2.gz YHHMEDHVYBIFQY-CQSZACIVSA-N 0 3 216.328 3.185 20 0 BGADHN CC(C)=CCN1CCS[C@@H]2CCCC[C@H]21 ZINC000531470134 323097844 /nfs/dbraw/zinc/09/78/44/323097844.db2.gz LYBGEMRDAYAABB-CHWSQXEVSA-N 0 3 225.401 3.313 20 0 BGADHN CC(C)=CCN1CCS[C@H]2CCCC[C@H]21 ZINC000531470139 323097800 /nfs/dbraw/zinc/09/78/00/323097800.db2.gz LYBGEMRDAYAABB-OLZOCXBDSA-N 0 3 225.401 3.313 20 0 BGADHN CC(C)=CCN1CCS[C@@H]2CCCC[C@@H]21 ZINC000531470140 323097866 /nfs/dbraw/zinc/09/78/66/323097866.db2.gz LYBGEMRDAYAABB-QWHCGFSZSA-N 0 3 225.401 3.313 20 0 BGADHN CC(C)=CCN1CCS[C@H]2CCCC[C@@H]21 ZINC000531470141 323097812 /nfs/dbraw/zinc/09/78/12/323097812.db2.gz LYBGEMRDAYAABB-STQMWFEESA-N 0 3 225.401 3.313 20 0 BGADHN C[C@@H]1C[C@@H](C)N(Cc2cc(F)ccc2F)C1 ZINC000531472117 350373471 /nfs/dbraw/zinc/37/34/71/350373471.db2.gz FSOWRZGSDVKMPN-NXEZZACHSA-N 0 3 225.282 3.195 20 0 BGADHN C[C@H]1C[C@H](C)N(Cc2cc(F)ccc2F)C1 ZINC000531472118 350373405 /nfs/dbraw/zinc/37/34/05/350373405.db2.gz FSOWRZGSDVKMPN-UWVGGRQHSA-N 0 3 225.282 3.195 20 0 BGADHN C[C@@H]1C[C@H](C)CN1Cc1cc(F)ccc1F ZINC000531472119 350373243 /nfs/dbraw/zinc/37/32/43/350373243.db2.gz FSOWRZGSDVKMPN-VHSXEESVSA-N 0 3 225.282 3.195 20 0 BGADHN C[C@@H]1C[C@H](C)N(Cc2cc(F)ccc2F)C1 ZINC000531472120 350373150 /nfs/dbraw/zinc/37/31/50/350373150.db2.gz FSOWRZGSDVKMPN-ZJUUUORDSA-N 0 3 225.282 3.195 20 0 BGADHN c1nc(C2CCC2)sc1CNC1(C2CC2)CC1 ZINC000531610262 323110294 /nfs/dbraw/zinc/11/02/94/323110294.db2.gz ISTKUNXXORHBRU-UHFFFAOYSA-N 0 3 248.395 3.443 20 0 BGADHN CCc1ccc(CNCCc2ccc(C)cc2)o1 ZINC000531611916 323110469 /nfs/dbraw/zinc/11/04/69/323110469.db2.gz RQMDZYYPDSCNSI-UHFFFAOYSA-N 0 3 243.350 3.483 20 0 BGADHN Cc1cccc(C)c1CN1CCOC(C)(C)[C@@H]1C ZINC000531658345 323111225 /nfs/dbraw/zinc/11/12/25/323111225.db2.gz LJGPWIFANPFLLJ-AWEZNQCLSA-N 0 3 247.382 3.303 20 0 BGADHN Cc1cccc(C)c1CN1CCOC(C)(C)[C@H]1C ZINC000531658346 323111245 /nfs/dbraw/zinc/11/12/45/323111245.db2.gz LJGPWIFANPFLLJ-CQSZACIVSA-N 0 3 247.382 3.303 20 0 BGADHN CCOc1ncccc1CN[C@@H]1CCC[C@@H]1CC ZINC000531691277 323111667 /nfs/dbraw/zinc/11/16/67/323111667.db2.gz PHDVLDSHWOWGPB-GXTWGEPZSA-N 0 3 248.370 3.149 20 0 BGADHN CCOc1ncccc1CN[C@H]1CCC[C@@H]1CC ZINC000531691287 323111692 /nfs/dbraw/zinc/11/16/92/323111692.db2.gz PHDVLDSHWOWGPB-JSGCOSHPSA-N 0 3 248.370 3.149 20 0 BGADHN CCOc1ncccc1CN[C@H]1CCC[C@H]1CC ZINC000531691288 323111679 /nfs/dbraw/zinc/11/16/79/323111679.db2.gz PHDVLDSHWOWGPB-OCCSQVGLSA-N 0 3 248.370 3.149 20 0 BGADHN CCOc1ncccc1CN[C@@H]1CCC[C@H]1CC ZINC000531691289 323111660 /nfs/dbraw/zinc/11/16/60/323111660.db2.gz PHDVLDSHWOWGPB-TZMCWYRMSA-N 0 3 248.370 3.149 20 0 BGADHN COCC1(NCc2csc3ccccc23)CC1 ZINC000531698976 323111851 /nfs/dbraw/zinc/11/18/51/323111851.db2.gz NRAFMVQMSNTZDL-UHFFFAOYSA-N 0 3 247.363 3.170 20 0 BGADHN c1[nH]nc2c1CCC[C@@H]2NCC1CCCCCC1 ZINC000531699199 323111773 /nfs/dbraw/zinc/11/17/73/323111773.db2.gz YQTDYCRRTKIXHQ-AWEZNQCLSA-N 0 3 247.386 3.347 20 0 BGADHN c1[nH]nc2c1CCC[C@H]2NCC1CCCCCC1 ZINC000531699200 323111736 /nfs/dbraw/zinc/11/17/36/323111736.db2.gz YQTDYCRRTKIXHQ-CQSZACIVSA-N 0 3 247.386 3.347 20 0 BGADHN COCC1(NCc2cc3ccccc3s2)CC1 ZINC000531701639 323111854 /nfs/dbraw/zinc/11/18/54/323111854.db2.gz LARKCYRRYXTIOD-UHFFFAOYSA-N 0 3 247.363 3.170 20 0 BGADHN CCC[C@@H]1CCCC[C@H]1N[C@@H](C)c1cnccn1 ZINC000531703821 323111812 /nfs/dbraw/zinc/11/18/12/323111812.db2.gz NAJSADLUNCIDLC-BFHYXJOUSA-N 0 3 247.386 3.486 20 0 BGADHN CCC[C@@H]1CCCC[C@@H]1N[C@H](C)c1cnccn1 ZINC000531703822 323111765 /nfs/dbraw/zinc/11/17/65/323111765.db2.gz NAJSADLUNCIDLC-MCIONIFRSA-N 0 3 247.386 3.486 20 0 BGADHN CCC[C@@H]1CCCC[C@H]1N[C@H](C)c1cnccn1 ZINC000531703824 323111849 /nfs/dbraw/zinc/11/18/49/323111849.db2.gz NAJSADLUNCIDLC-MGPQQGTHSA-N 0 3 247.386 3.486 20 0 BGADHN CCC[C@@H]1CCCC[C@@H]1N[C@@H](C)c1cnccn1 ZINC000531703825 323111746 /nfs/dbraw/zinc/11/17/46/323111746.db2.gz NAJSADLUNCIDLC-MJBXVCDLSA-N 0 3 247.386 3.486 20 0 BGADHN Cc1nc(CN[C@H](C)C(C)C)nc2ccccc12 ZINC000531706982 323111983 /nfs/dbraw/zinc/11/19/83/323111983.db2.gz VWRJIWZXFAHLJL-LLVKDONJSA-N 0 3 243.354 3.072 20 0 BGADHN Cc1nc(CN[C@@H](C)C(C)C)nc2ccccc12 ZINC000531706983 323111996 /nfs/dbraw/zinc/11/19/96/323111996.db2.gz VWRJIWZXFAHLJL-NSHDSACASA-N 0 3 243.354 3.072 20 0 BGADHN CCc1cc(CN[C@H](C)C2CCCCC2)on1 ZINC000531721277 323112303 /nfs/dbraw/zinc/11/23/03/323112303.db2.gz ZIMLVOWMVORRIG-LLVKDONJSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1cc(CN[C@@H](C)C2CCCCC2)on1 ZINC000531721278 323112202 /nfs/dbraw/zinc/11/22/02/323112202.db2.gz ZIMLVOWMVORRIG-NSHDSACASA-N 0 3 236.359 3.295 20 0 BGADHN CCc1cc(CN[C@H](C)CCC=C(C)C)on1 ZINC000531723248 323111372 /nfs/dbraw/zinc/11/13/72/323111372.db2.gz MLLCBBZKUIEOKR-GFCCVEGCSA-N 0 3 236.359 3.462 20 0 BGADHN CCc1cc(CN[C@@H](C)CCC=C(C)C)on1 ZINC000531723249 323111358 /nfs/dbraw/zinc/11/13/58/323111358.db2.gz MLLCBBZKUIEOKR-LBPRGKRZSA-N 0 3 236.359 3.462 20 0 BGADHN Cc1cccc(CN2CCC(C(F)F)CC2)c1 ZINC000531726184 323111549 /nfs/dbraw/zinc/11/15/49/323111549.db2.gz WCTUNMXJJMYHIG-UHFFFAOYSA-N 0 3 239.309 3.472 20 0 BGADHN CC[C@H](C)CN1CCO[C@H](c2ccccc2C)C1 ZINC000531780360 323113141 /nfs/dbraw/zinc/11/31/41/323113141.db2.gz WBBYSTULYAVWCV-BBRMVZONSA-N 0 3 247.382 3.414 20 0 BGADHN CC[C@@H](C)CN1CCO[C@H](c2ccccc2C)C1 ZINC000531780361 323113121 /nfs/dbraw/zinc/11/31/21/323113121.db2.gz WBBYSTULYAVWCV-CJNGLKHVSA-N 0 3 247.382 3.414 20 0 BGADHN CC[C@@H](C)CN1CCO[C@@H](c2ccccc2C)C1 ZINC000531780362 323113079 /nfs/dbraw/zinc/11/30/79/323113079.db2.gz WBBYSTULYAVWCV-CZUORRHYSA-N 0 3 247.382 3.414 20 0 BGADHN CC[C@H](C)CN1CCO[C@@H](c2ccccc2C)C1 ZINC000531780363 323113316 /nfs/dbraw/zinc/11/33/16/323113316.db2.gz WBBYSTULYAVWCV-XJKSGUPXSA-N 0 3 247.382 3.414 20 0 BGADHN CC(C)[C@@H]1CCN(Cc2ccc(F)cc2F)C1 ZINC000531781255 323113261 /nfs/dbraw/zinc/11/32/61/323113261.db2.gz QFRULUCKPDCWQO-LLVKDONJSA-N 0 3 239.309 3.443 20 0 BGADHN CC(C)[C@H]1CCN(Cc2ccc(F)cc2F)C1 ZINC000531781256 323113328 /nfs/dbraw/zinc/11/33/28/323113328.db2.gz QFRULUCKPDCWQO-NSHDSACASA-N 0 3 239.309 3.443 20 0 BGADHN CC(C)[C@@H]1CCN(Cc2cc(F)ccc2F)C1 ZINC000531781904 323113284 /nfs/dbraw/zinc/11/32/84/323113284.db2.gz YJGQKBGWGJEPJW-LLVKDONJSA-N 0 3 239.309 3.443 20 0 BGADHN CC(C)[C@H]1CCN(Cc2cc(F)ccc2F)C1 ZINC000531781905 323113346 /nfs/dbraw/zinc/11/33/46/323113346.db2.gz YJGQKBGWGJEPJW-NSHDSACASA-N 0 3 239.309 3.443 20 0 BGADHN CC(C)[C@@H]1CCN(Cc2ccc(F)c(F)c2)C1 ZINC000531782230 323113333 /nfs/dbraw/zinc/11/33/33/323113333.db2.gz AOJFYHOYXBRQCV-GFCCVEGCSA-N 0 3 239.309 3.443 20 0 BGADHN CC(C)[C@H]1CCN(Cc2ccc(F)c(F)c2)C1 ZINC000531782231 323113304 /nfs/dbraw/zinc/11/33/04/323113304.db2.gz AOJFYHOYXBRQCV-LBPRGKRZSA-N 0 3 239.309 3.443 20 0 BGADHN C[C@@]1(c2ccccc2)CN(CCC2CC2)CCO1 ZINC000531841345 323115465 /nfs/dbraw/zinc/11/54/65/323115465.db2.gz CWQVUFXRNHDQJD-INIZCTEOSA-N 0 3 245.366 3.034 20 0 BGADHN C[C@]1(c2ccccc2)CN(CCC2CC2)CCO1 ZINC000531841346 323115438 /nfs/dbraw/zinc/11/54/38/323115438.db2.gz CWQVUFXRNHDQJD-MRXNPFEDSA-N 0 3 245.366 3.034 20 0 BGADHN Fc1cc(CNC2(C3CC3)CC2)cc(F)c1F ZINC000531864623 323118293 /nfs/dbraw/zinc/11/82/93/323118293.db2.gz UHWGHOSDNMLOJR-UHFFFAOYSA-N 0 3 241.256 3.136 20 0 BGADHN Cc1ccc(CCN[C@H](C)c2ccc(C)o2)o1 ZINC000531941741 323155947 /nfs/dbraw/zinc/15/59/47/323155947.db2.gz XWUSKRIRSFXGBD-GFCCVEGCSA-N 0 3 233.311 3.383 20 0 BGADHN Cc1ccc(CCN[C@@H](C)c2ccc(C)o2)o1 ZINC000531941742 323156018 /nfs/dbraw/zinc/15/60/18/323156018.db2.gz XWUSKRIRSFXGBD-LBPRGKRZSA-N 0 3 233.311 3.383 20 0 BGADHN COCC1(NCc2ccc(C(C)(C)C)cc2)CC1 ZINC000531954177 323156650 /nfs/dbraw/zinc/15/66/50/323156650.db2.gz VPTUDOAIPALPBU-UHFFFAOYSA-N 0 3 247.382 3.253 20 0 BGADHN CC[C@@H](NCc1ccc(COC)o1)C(C)(C)C ZINC000531956844 323156890 /nfs/dbraw/zinc/15/68/90/323156890.db2.gz KVBRHIDXJMKDOJ-CYBMUJFWSA-N 0 3 239.359 3.340 20 0 BGADHN CC[C@H](NCc1ccc(COC)o1)C(C)(C)C ZINC000531956845 323156776 /nfs/dbraw/zinc/15/67/76/323156776.db2.gz KVBRHIDXJMKDOJ-ZDUSSCGKSA-N 0 3 239.359 3.340 20 0 BGADHN COCC1(NCc2ccc(C(C)C)cc2)CC1 ZINC000531956947 323157802 /nfs/dbraw/zinc/15/78/02/323157802.db2.gz CHLLNVFHCOSWBJ-UHFFFAOYSA-N 0 3 233.355 3.079 20 0 BGADHN CCc1cc(CNC2[C@H](C)CCC[C@H]2C)on1 ZINC000531976833 323161969 /nfs/dbraw/zinc/16/19/69/323161969.db2.gz VTCNMJJBOZGWJT-GHMZBOCLSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1cc(CNC2[C@@H](C)CCC[C@@H]2C)on1 ZINC000531976834 323162087 /nfs/dbraw/zinc/16/20/87/323162087.db2.gz VTCNMJJBOZGWJT-QWRGUYRKSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1cc(CN[C@H]2[C@H](C)CCC[C@@H]2C)on1 ZINC000531976835 323162048 /nfs/dbraw/zinc/16/20/48/323162048.db2.gz VTCNMJJBOZGWJT-YABSGUDNSA-N 0 3 236.359 3.151 20 0 BGADHN Cc1ccc(CN2CCC(C(F)F)CC2)cc1 ZINC000531982323 323163168 /nfs/dbraw/zinc/16/31/68/323163168.db2.gz DNEWFCDUJCURMA-UHFFFAOYSA-N 0 3 239.309 3.472 20 0 BGADHN COC(C)(C)CN(C)c1ccnc2ccccc21 ZINC000532074471 323171750 /nfs/dbraw/zinc/17/17/50/323171750.db2.gz YARUGXFLXZIWJB-UHFFFAOYSA-N 0 3 244.338 3.096 20 0 BGADHN COC(C)(C)CN(C)Cc1ccc(Cl)cc1 ZINC000532086121 323172506 /nfs/dbraw/zinc/17/25/06/323172506.db2.gz WCAMOISZYPWRSF-UHFFFAOYSA-N 0 3 241.762 3.197 20 0 BGADHN COC(C)(C)CN(C)Cc1cccc(Cl)c1 ZINC000532086493 323172640 /nfs/dbraw/zinc/17/26/40/323172640.db2.gz HATFBQIIOVYZPC-UHFFFAOYSA-N 0 3 241.762 3.197 20 0 BGADHN CC[C@@]1(C)CCN(Cc2ccc(F)cc2)C1 ZINC000532090144 323181591 /nfs/dbraw/zinc/18/15/91/323181591.db2.gz AYNXEMFFAHUVFR-AWEZNQCLSA-N 0 3 221.319 3.448 20 0 BGADHN CC[C@]1(C)CCN(Cc2ccc(F)cc2)C1 ZINC000532090145 323181609 /nfs/dbraw/zinc/18/16/09/323181609.db2.gz AYNXEMFFAHUVFR-CQSZACIVSA-N 0 3 221.319 3.448 20 0 BGADHN CC[C@@]1(C)CCN(Cc2cccc(F)c2)C1 ZINC000532090152 323181637 /nfs/dbraw/zinc/18/16/37/323181637.db2.gz GRYSPDMSUJYWPJ-AWEZNQCLSA-N 0 3 221.319 3.448 20 0 BGADHN CC[C@]1(C)CCN(Cc2cccc(F)c2)C1 ZINC000532090153 323181618 /nfs/dbraw/zinc/18/16/18/323181618.db2.gz GRYSPDMSUJYWPJ-CQSZACIVSA-N 0 3 221.319 3.448 20 0 BGADHN CC[C@@H](C)CN1CCO[C@@](C)(c2ccccc2)C1 ZINC000532098825 323206142 /nfs/dbraw/zinc/20/61/42/323206142.db2.gz FTDXVGDGJIQQCV-GDBMZVCRSA-N 0 3 247.382 3.280 20 0 BGADHN CC[C@H](C)CN1CCO[C@@](C)(c2ccccc2)C1 ZINC000532098826 323206109 /nfs/dbraw/zinc/20/61/09/323206109.db2.gz FTDXVGDGJIQQCV-GOEBONIOSA-N 0 3 247.382 3.280 20 0 BGADHN CC[C@H](C)CN1CCO[C@](C)(c2ccccc2)C1 ZINC000532098827 323206088 /nfs/dbraw/zinc/20/60/88/323206088.db2.gz FTDXVGDGJIQQCV-HOCLYGCPSA-N 0 3 247.382 3.280 20 0 BGADHN CC[C@@H](C)CN1CCO[C@](C)(c2ccccc2)C1 ZINC000532098828 323206127 /nfs/dbraw/zinc/20/61/27/323206127.db2.gz FTDXVGDGJIQQCV-ZBFHGGJFSA-N 0 3 247.382 3.280 20 0 BGADHN COc1ccc(C)cc1CNC1(C2CC2)CC1 ZINC000532120617 323206520 /nfs/dbraw/zinc/20/65/20/323206520.db2.gz WCXWNXBTSKGLLL-UHFFFAOYSA-N 0 3 231.339 3.036 20 0 BGADHN Cc1cc(C)cc(CN2CCOC(C)(C)[C@@H]2C)c1 ZINC000532165925 323207954 /nfs/dbraw/zinc/20/79/54/323207954.db2.gz CAKIKRUVUZHDDA-AWEZNQCLSA-N 0 3 247.382 3.303 20 0 BGADHN Cc1cc(C)cc(CN2CCOC(C)(C)[C@H]2C)c1 ZINC000532165926 323207968 /nfs/dbraw/zinc/20/79/68/323207968.db2.gz CAKIKRUVUZHDDA-CQSZACIVSA-N 0 3 247.382 3.303 20 0 BGADHN C[C@H]1c2c(F)cccc2CCN1CC1CC1 ZINC000532168328 323208398 /nfs/dbraw/zinc/20/83/98/323208398.db2.gz HEWBXFUAEVGUAB-JTQLQIEISA-N 0 3 219.303 3.155 20 0 BGADHN C[C@@H]1c2c(F)cccc2CCN1CC1CC1 ZINC000532168329 323208129 /nfs/dbraw/zinc/20/81/29/323208129.db2.gz HEWBXFUAEVGUAB-SNVBAGLBSA-N 0 3 219.303 3.155 20 0 BGADHN COCC1(NCc2ccc(CC(C)C)cc2)CC1 ZINC000532210289 323209685 /nfs/dbraw/zinc/20/96/85/323209685.db2.gz SJSNQWCFSAUFTL-UHFFFAOYSA-N 0 3 247.382 3.154 20 0 BGADHN FCCCN1CCC(c2ccccc2F)CC1 ZINC000532223342 323209907 /nfs/dbraw/zinc/20/99/07/323209907.db2.gz FHUKJZLADGZIRG-UHFFFAOYSA-N 0 3 239.309 3.365 20 0 BGADHN CCn1cc(CN(C)CCCC2CCCC2)cn1 ZINC000532224348 323211741 /nfs/dbraw/zinc/21/17/41/323211741.db2.gz LOQBTJTYZOIYJL-UHFFFAOYSA-N 0 3 249.402 3.305 20 0 BGADHN Fc1ccc(CCN2C3CCC2CC3)cc1F ZINC000532276058 323214516 /nfs/dbraw/zinc/21/45/16/323214516.db2.gz UAAMLNCARNPPIK-UHFFFAOYSA-N 0 3 237.293 3.134 20 0 BGADHN CC(C)[C@@H]1CCN(Cc2cccc(F)c2F)C1 ZINC000532293539 323214016 /nfs/dbraw/zinc/21/40/16/323214016.db2.gz ZEHBPHNIZLTSOT-LLVKDONJSA-N 0 3 239.309 3.443 20 0 BGADHN CC(C)[C@H]1CCN(Cc2cccc(F)c2F)C1 ZINC000532293550 323214064 /nfs/dbraw/zinc/21/40/64/323214064.db2.gz ZEHBPHNIZLTSOT-NSHDSACASA-N 0 3 239.309 3.443 20 0 BGADHN CCC[C@H]1CCCN(CCC(F)(F)F)C1 ZINC000532326959 323250906 /nfs/dbraw/zinc/25/09/06/323250906.db2.gz GOXZIJMOVRBXAX-JTQLQIEISA-N 0 3 223.282 3.451 20 0 BGADHN CCC[C@@H]1CCCN(CCC(F)(F)F)C1 ZINC000532326960 323250964 /nfs/dbraw/zinc/25/09/64/323250964.db2.gz GOXZIJMOVRBXAX-SNVBAGLBSA-N 0 3 223.282 3.451 20 0 BGADHN COC(C)(C)CN(C)Cc1cc(C)sc1C ZINC000532339718 323254645 /nfs/dbraw/zinc/25/46/45/323254645.db2.gz XXHJWEDARRFLDC-UHFFFAOYSA-N 0 3 241.400 3.222 20 0 BGADHN CCCCCN1CCO[C@](C)(c2ccccc2)C1 ZINC000532351823 323256133 /nfs/dbraw/zinc/25/61/33/323256133.db2.gz PJDZDDBWGMQSIW-INIZCTEOSA-N 0 3 247.382 3.424 20 0 BGADHN CCCCCN1CCO[C@@](C)(c2ccccc2)C1 ZINC000532351824 323256107 /nfs/dbraw/zinc/25/61/07/323256107.db2.gz PJDZDDBWGMQSIW-MRXNPFEDSA-N 0 3 247.382 3.424 20 0 BGADHN CC(C)CCN1CCO[C@](C)(c2ccccc2)C1 ZINC000532352488 323256074 /nfs/dbraw/zinc/25/60/74/323256074.db2.gz FNZDQYUTHMKZJR-INIZCTEOSA-N 0 3 247.382 3.280 20 0 BGADHN CC(C)CCN1CCO[C@@](C)(c2ccccc2)C1 ZINC000532352489 323256002 /nfs/dbraw/zinc/25/60/02/323256002.db2.gz FNZDQYUTHMKZJR-MRXNPFEDSA-N 0 3 247.382 3.280 20 0 BGADHN c1c2ccccc2oc1CNC1(C2CC2)CC1 ZINC000532374321 323256357 /nfs/dbraw/zinc/25/63/57/323256357.db2.gz FSKMUCCYARYNQT-UHFFFAOYSA-N 0 3 227.307 3.465 20 0 BGADHN Cc1cc(CN(CC(C)C)CC(C)(C)C)on1 ZINC000532398845 323258570 /nfs/dbraw/zinc/25/85/70/323258570.db2.gz IKWSRAAFWLOMAA-UHFFFAOYSA-N 0 3 238.375 3.487 20 0 BGADHN CC(C)CN1CCOC2(C1)CCCCCC2 ZINC000532427821 323264444 /nfs/dbraw/zinc/26/44/44/323264444.db2.gz IALZSDCTQOFRME-UHFFFAOYSA-N 0 3 225.376 3.068 20 0 BGADHN C[C@@H](NC[C@@H](C)C1CCCCC1)c1cnccn1 ZINC000532468457 323266587 /nfs/dbraw/zinc/26/65/87/323266587.db2.gz VITPUJGTEGRHIH-CHWSQXEVSA-N 0 3 247.386 3.344 20 0 BGADHN C[C@H](CN[C@@H](C)c1cnccn1)C1CCCCC1 ZINC000532468464 323267049 /nfs/dbraw/zinc/26/70/49/323267049.db2.gz VITPUJGTEGRHIH-OLZOCXBDSA-N 0 3 247.386 3.344 20 0 BGADHN C[C@@H](CN[C@H](C)c1cnccn1)C1CCCCC1 ZINC000532468465 323266944 /nfs/dbraw/zinc/26/69/44/323266944.db2.gz VITPUJGTEGRHIH-QWHCGFSZSA-N 0 3 247.386 3.344 20 0 BGADHN C[C@@H](CN[C@@H](C)c1cnccn1)C1CCCCC1 ZINC000532468466 323266617 /nfs/dbraw/zinc/26/66/17/323266617.db2.gz VITPUJGTEGRHIH-STQMWFEESA-N 0 3 247.386 3.344 20 0 BGADHN COCC1(NCc2ccc3ccccc3c2)CC1 ZINC000532479782 323270107 /nfs/dbraw/zinc/27/01/07/323270107.db2.gz OTRDZDBFEPQYTP-UHFFFAOYSA-N 0 3 241.334 3.108 20 0 BGADHN CCCN(Cc1ccno1)CC1CCCCC1 ZINC000532486554 323270613 /nfs/dbraw/zinc/27/06/13/323270613.db2.gz CZPPHBKVSZNSBF-UHFFFAOYSA-N 0 3 236.359 3.467 20 0 BGADHN C[C@@H](N(C)Cc1cn2ccccc2n1)C(C)(C)C ZINC000532490533 323268925 /nfs/dbraw/zinc/26/89/25/323268925.db2.gz FKOPYDFWRNYJFZ-GFCCVEGCSA-N 0 3 245.370 3.201 20 0 BGADHN C[C@H](N(C)Cc1cn2ccccc2n1)C(C)(C)C ZINC000532490536 323269413 /nfs/dbraw/zinc/26/94/13/323269413.db2.gz FKOPYDFWRNYJFZ-LBPRGKRZSA-N 0 3 245.370 3.201 20 0 BGADHN CCC(CC)N(Cc1cc(OC)ccn1)C1CC1 ZINC000532530173 323273406 /nfs/dbraw/zinc/27/34/06/323273406.db2.gz WUXYEBUTIVTYED-UHFFFAOYSA-N 0 3 248.370 3.243 20 0 BGADHN CC[C@@H](C)[C@@H](C)N(Cc1ccno1)C1CC1 ZINC000532560559 323277387 /nfs/dbraw/zinc/27/73/87/323277387.db2.gz XLLFEAHRHLECDZ-GHMZBOCLSA-N 0 3 222.332 3.074 20 0 BGADHN CC[C@@H](C)[C@H](C)N(Cc1ccno1)C1CC1 ZINC000532560640 323277554 /nfs/dbraw/zinc/27/75/54/323277554.db2.gz XLLFEAHRHLECDZ-MNOVXSKESA-N 0 3 222.332 3.074 20 0 BGADHN CC[C@H](C)[C@H](C)N(Cc1ccno1)C1CC1 ZINC000532560641 323277539 /nfs/dbraw/zinc/27/75/39/323277539.db2.gz XLLFEAHRHLECDZ-QWRGUYRKSA-N 0 3 222.332 3.074 20 0 BGADHN CC[C@H](C)[C@@H](C)N(Cc1ccno1)C1CC1 ZINC000532560642 323277153 /nfs/dbraw/zinc/27/71/53/323277153.db2.gz XLLFEAHRHLECDZ-WDEREUQCSA-N 0 3 222.332 3.074 20 0 BGADHN CC(C)(C)[C@@H]1CCCN(Cc2ccno2)CC1 ZINC000532572295 323278917 /nfs/dbraw/zinc/27/89/17/323278917.db2.gz BUVZAIWBDBMAMB-GFCCVEGCSA-N 0 3 236.359 3.323 20 0 BGADHN CC(C)(C)[C@H]1CCCN(Cc2ccno2)CC1 ZINC000532572489 323278680 /nfs/dbraw/zinc/27/86/80/323278680.db2.gz BUVZAIWBDBMAMB-LBPRGKRZSA-N 0 3 236.359 3.323 20 0 BGADHN CCCN(C)CC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000532579469 323277939 /nfs/dbraw/zinc/27/79/39/323277939.db2.gz XEKAQKLWYMCQQW-UHFFFAOYSA-N 0 3 249.398 3.114 20 0 BGADHN CCC[C@]1(C)CCCN(Cc2ccno2)C1 ZINC000532589338 323277876 /nfs/dbraw/zinc/27/78/76/323277876.db2.gz BBQQWXSLKOKWNM-CYBMUJFWSA-N 0 3 222.332 3.077 20 0 BGADHN CCC[C@@]1(C)CCCN(Cc2ccno2)C1 ZINC000532589340 323277928 /nfs/dbraw/zinc/27/79/28/323277928.db2.gz BBQQWXSLKOKWNM-ZDUSSCGKSA-N 0 3 222.332 3.077 20 0 BGADHN COC(C)(C)CN(C)Cc1cc2ccccc2o1 ZINC000532623346 323279480 /nfs/dbraw/zinc/27/94/80/323279480.db2.gz LZKHYINTPWKDJX-UHFFFAOYSA-N 0 3 247.338 3.290 20 0 BGADHN CC(C)OC1CCN([C@H](C)c2ccccn2)CC1 ZINC000532632705 323284824 /nfs/dbraw/zinc/28/48/24/323284824.db2.gz GRXWNQUHKDOWKI-CYBMUJFWSA-N 0 3 248.370 3.032 20 0 BGADHN CC(C)OC1CCN([C@@H](C)c2ccccn2)CC1 ZINC000532632706 323285185 /nfs/dbraw/zinc/28/51/85/323285185.db2.gz GRXWNQUHKDOWKI-ZDUSSCGKSA-N 0 3 248.370 3.032 20 0 BGADHN CCCCC[C@@H]1CCCN1Cc1ccno1 ZINC000532649648 323286824 /nfs/dbraw/zinc/28/68/24/323286824.db2.gz KULQHARITDRMCC-GFCCVEGCSA-N 0 3 222.332 3.219 20 0 BGADHN CCCCC[C@H]1CCCN1Cc1ccno1 ZINC000532649649 323286261 /nfs/dbraw/zinc/28/62/61/323286261.db2.gz KULQHARITDRMCC-LBPRGKRZSA-N 0 3 222.332 3.219 20 0 BGADHN CC(C)N(Cc1nc2ccccc2o1)CC1CC1 ZINC000532658624 323285878 /nfs/dbraw/zinc/28/58/78/323285878.db2.gz OVQSXEYMEGVCQR-UHFFFAOYSA-N 0 3 244.338 3.448 20 0 BGADHN Cc1nc(CN(CC2CC2)C(C)C)sc1C ZINC000532664166 323288154 /nfs/dbraw/zinc/28/81/54/323288154.db2.gz WQARUTQPWNPCAU-UHFFFAOYSA-N 0 3 238.400 3.380 20 0 BGADHN Cc1csc(CN(CC2CC2)C(C)C)n1 ZINC000532665550 323288874 /nfs/dbraw/zinc/28/88/74/323288874.db2.gz SOGOBBQWUVMDGM-UHFFFAOYSA-N 0 3 224.373 3.072 20 0 BGADHN CC(C)C[C@H]1CCCCN1Cc1ccno1 ZINC000532723862 323292306 /nfs/dbraw/zinc/29/23/06/323292306.db2.gz ZJSXTUBJTFUJBJ-GFCCVEGCSA-N 0 3 222.332 3.075 20 0 BGADHN CC(C)C[C@@H]1CCCCN1Cc1ccno1 ZINC000532723863 323292357 /nfs/dbraw/zinc/29/23/57/323292357.db2.gz ZJSXTUBJTFUJBJ-LBPRGKRZSA-N 0 3 222.332 3.075 20 0 BGADHN CC(C)=CCN(C)[C@@H](C)[C@@H]1Cc2ccccc2O1 ZINC000532741154 323292942 /nfs/dbraw/zinc/29/29/42/323292942.db2.gz PLLFYVUSHOXTPO-BBRMVZONSA-N 0 3 245.366 3.277 20 0 BGADHN CC(C)=CCN(C)[C@H](C)[C@@H]1Cc2ccccc2O1 ZINC000532741156 323293238 /nfs/dbraw/zinc/29/32/38/323293238.db2.gz PLLFYVUSHOXTPO-CJNGLKHVSA-N 0 3 245.366 3.277 20 0 BGADHN CC(C)=CCN(C)[C@H](C)[C@H]1Cc2ccccc2O1 ZINC000532741158 323293096 /nfs/dbraw/zinc/29/30/96/323293096.db2.gz PLLFYVUSHOXTPO-CZUORRHYSA-N 0 3 245.366 3.277 20 0 BGADHN CC(C)=CCN(C)[C@@H](C)[C@H]1Cc2ccccc2O1 ZINC000532741159 323292837 /nfs/dbraw/zinc/29/28/37/323292837.db2.gz PLLFYVUSHOXTPO-XJKSGUPXSA-N 0 3 245.366 3.277 20 0 BGADHN Fc1ccc2c(c1)CN(CC1CCCC1)CC2 ZINC000532741166 323293074 /nfs/dbraw/zinc/29/30/74/323293074.db2.gz PMVUBSASDZYQNH-UHFFFAOYSA-N 0 3 233.330 3.374 20 0 BGADHN COC[C@@H](C)N(C)Cc1ccc(C(C)(C)C)cc1 ZINC000532760732 323295167 /nfs/dbraw/zinc/29/51/67/323295167.db2.gz IZCUKNFMDIHKFW-CYBMUJFWSA-N 0 3 249.398 3.451 20 0 BGADHN COC[C@H](C)N(C)Cc1ccc(C(C)(C)C)cc1 ZINC000532760733 323294983 /nfs/dbraw/zinc/29/49/83/323294983.db2.gz IZCUKNFMDIHKFW-ZDUSSCGKSA-N 0 3 249.398 3.451 20 0 BGADHN FC(F)(F)CCCCN1C2CCC1CC2 ZINC000532779497 323296278 /nfs/dbraw/zinc/29/62/78/323296278.db2.gz SUCRIQUNANTPAP-UHFFFAOYSA-N 0 3 221.266 3.346 20 0 BGADHN CC1CCC(N(Cc2ccno2)C2CC2)CC1 ZINC000532918524 323390409 /nfs/dbraw/zinc/39/04/09/323390409.db2.gz KILNKJBLMONHMO-UHFFFAOYSA-N 0 3 234.343 3.218 20 0 BGADHN CCc1cnc(CN(CC(C)C)C(C)C)o1 ZINC000532922364 323390938 /nfs/dbraw/zinc/39/09/38/323390938.db2.gz NTHJDIROYTUPKX-UHFFFAOYSA-N 0 3 224.348 3.103 20 0 BGADHN CCc1noc(C)c1CN(C)[C@H](C)C(C)(C)C ZINC000532927597 323396893 /nfs/dbraw/zinc/39/68/93/323396893.db2.gz DRLWJIZTWAEQST-LLVKDONJSA-N 0 3 238.375 3.412 20 0 BGADHN CCc1noc(C)c1CN(C)[C@@H](C)C(C)(C)C ZINC000532927598 323397004 /nfs/dbraw/zinc/39/70/04/323397004.db2.gz DRLWJIZTWAEQST-NSHDSACASA-N 0 3 238.375 3.412 20 0 BGADHN CCCN(CC)Cc1cnc(C2CC2)s1 ZINC000532934542 323396990 /nfs/dbraw/zinc/39/69/90/323396990.db2.gz ZZWQAHGIKPWMAE-UHFFFAOYSA-N 0 3 224.373 3.252 20 0 BGADHN Cc1ccc(C[C@@H](C)N(C)Cc2ccno2)cc1 ZINC000532966962 387915598 /nfs/dbraw/zinc/91/55/98/387915598.db2.gz CXFNDGBKBMDVKQ-CYBMUJFWSA-N 0 3 244.338 3.046 20 0 BGADHN Cc1ccc(C[C@H](C)N(C)Cc2ccno2)cc1 ZINC000532966963 387915730 /nfs/dbraw/zinc/91/57/30/387915730.db2.gz CXFNDGBKBMDVKQ-ZDUSSCGKSA-N 0 3 244.338 3.046 20 0 BGADHN CCN(Cc1cn2c(cccc2C)n1)C1CCC1 ZINC000532980485 387918170 /nfs/dbraw/zinc/91/81/70/387918170.db2.gz OVGBSMCWRPWYHX-UHFFFAOYSA-N 0 3 243.354 3.017 20 0 BGADHN CCC1CCC(N(C)Cc2ccno2)CC1 ZINC000532988568 387915560 /nfs/dbraw/zinc/91/55/60/387915560.db2.gz HSDAGHKRNUAJLS-UHFFFAOYSA-N 0 3 222.332 3.075 20 0 BGADHN CCN1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000533012451 387917533 /nfs/dbraw/zinc/91/75/33/387917533.db2.gz UGKQVVTWVVHGQS-LLVKDONJSA-N 0 3 246.379 3.496 20 0 BGADHN CCN1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000533012460 387917338 /nfs/dbraw/zinc/91/73/38/387917338.db2.gz UGKQVVTWVVHGQS-NSHDSACASA-N 0 3 246.379 3.496 20 0 BGADHN COC(C)(C)CN(C)[C@H](C)c1cccc(F)c1 ZINC000533020120 387919744 /nfs/dbraw/zinc/91/97/44/387919744.db2.gz ODDLXFSGBTYTMA-LLVKDONJSA-N 0 3 239.334 3.244 20 0 BGADHN COC(C)(C)CN(C)[C@@H](C)c1cccc(F)c1 ZINC000533020121 387919225 /nfs/dbraw/zinc/91/92/25/387919225.db2.gz ODDLXFSGBTYTMA-NSHDSACASA-N 0 3 239.334 3.244 20 0 BGADHN CN(Cc1ccno1)C1CCC(C)(C)CC1 ZINC000533023166 387919879 /nfs/dbraw/zinc/91/98/79/387919879.db2.gz OBHFURAYRXLVKC-UHFFFAOYSA-N 0 3 222.332 3.075 20 0 BGADHN COC(C)(C)CN(C)[C@H](C)c1ccccc1F ZINC000533023475 387920864 /nfs/dbraw/zinc/92/08/64/387920864.db2.gz BUTHTQQLFVVIAQ-LLVKDONJSA-N 0 3 239.334 3.244 20 0 BGADHN COC(C)(C)CN(C)[C@@H](C)c1ccccc1F ZINC000533023476 387920148 /nfs/dbraw/zinc/92/01/48/387920148.db2.gz BUTHTQQLFVVIAQ-NSHDSACASA-N 0 3 239.334 3.244 20 0 BGADHN CC(C)CN(Cc1ccno1)CC(C)(C)C ZINC000533024767 387920125 /nfs/dbraw/zinc/92/01/25/387920125.db2.gz AYMXZAHKTKVWSC-UHFFFAOYSA-N 0 3 224.348 3.179 20 0 BGADHN CN(CCC(C)(C)C)CCC(F)(F)F ZINC000533032043 387921015 /nfs/dbraw/zinc/92/10/15/387921015.db2.gz BIQRUCMPXDQNPP-UHFFFAOYSA-N 0 3 211.271 3.307 20 0 BGADHN CCc1noc(C)c1CN(CC1CC1)C(C)C ZINC000533036967 387924264 /nfs/dbraw/zinc/92/42/64/387924264.db2.gz XWOUXBIFGSHJDK-UHFFFAOYSA-N 0 3 236.359 3.166 20 0 BGADHN CCc1cnc(CN(C(C)C)C2CCCC2)o1 ZINC000533046260 387926662 /nfs/dbraw/zinc/92/66/62/387926662.db2.gz NIMOSJJXXQYELL-UHFFFAOYSA-N 0 3 236.359 3.390 20 0 BGADHN CCC(C)(C)[C@H]1CCCN1Cc1ccno1 ZINC000533086845 387944636 /nfs/dbraw/zinc/94/46/36/387944636.db2.gz FXUNSRNVZOCXKD-GFCCVEGCSA-N 0 3 222.332 3.075 20 0 BGADHN CCC(C)(C)[C@@H]1CCCN1Cc1ccno1 ZINC000533086846 387944645 /nfs/dbraw/zinc/94/46/45/387944645.db2.gz FXUNSRNVZOCXKD-LBPRGKRZSA-N 0 3 222.332 3.075 20 0 BGADHN CCc1cnc(CN2CC[C@@H](C)C[C@H](C)C2)o1 ZINC000533101248 398181290 /nfs/dbraw/zinc/18/12/90/398181290.db2.gz RAZJHJUNMKCEGR-NEPJUHHUSA-N 0 3 236.359 3.105 20 0 BGADHN CCc1cnc(CN2CC[C@H](C)C[C@@H](C)C2)o1 ZINC000533101249 398181355 /nfs/dbraw/zinc/18/13/55/398181355.db2.gz RAZJHJUNMKCEGR-NWDGAFQWSA-N 0 3 236.359 3.105 20 0 BGADHN CCc1cnc(CN2CC[C@H](C)C[C@H](C)C2)o1 ZINC000533101250 398181417 /nfs/dbraw/zinc/18/14/17/398181417.db2.gz RAZJHJUNMKCEGR-RYUDHWBXSA-N 0 3 236.359 3.105 20 0 BGADHN CCc1cnc(CN2CC[C@@H](C)C[C@@H](C)C2)o1 ZINC000533101251 398181323 /nfs/dbraw/zinc/18/13/23/398181323.db2.gz RAZJHJUNMKCEGR-VXGBXAGGSA-N 0 3 236.359 3.105 20 0 BGADHN CCOC(=O)CN(CCC(C)(C)C)C(C)(C)C ZINC000533199749 388015735 /nfs/dbraw/zinc/01/57/35/388015735.db2.gz BCZJHDBSBCREBW-UHFFFAOYSA-N 0 3 243.391 3.086 20 0 BGADHN c1cc(CN(CC2CCCCC2)C2CC2)on1 ZINC000533242682 388037509 /nfs/dbraw/zinc/03/75/09/388037509.db2.gz DLXCJPCQKQVZRN-UHFFFAOYSA-N 0 3 234.343 3.219 20 0 BGADHN Cc1ccc(SCCN(C)C2CC2)cc1C ZINC000533248942 388038877 /nfs/dbraw/zinc/03/88/77/388038877.db2.gz UIUHXPMKUAXUFF-UHFFFAOYSA-N 0 3 235.396 3.490 20 0 BGADHN C[C@@H](N(C)CCC(F)(F)F)C(C)(C)C ZINC000533249019 388039328 /nfs/dbraw/zinc/03/93/28/388039328.db2.gz FYFYVURYHSPZNP-MRVPVSSYSA-N 0 3 211.271 3.305 20 0 BGADHN C[C@H](N(C)CCC(F)(F)F)C(C)(C)C ZINC000533249020 388039493 /nfs/dbraw/zinc/03/94/93/388039493.db2.gz FYFYVURYHSPZNP-QMMMGPOBSA-N 0 3 211.271 3.305 20 0 BGADHN C[C@@H](N(C)Cc1cnc2ccccn12)C(C)(C)C ZINC000533249894 388039258 /nfs/dbraw/zinc/03/92/58/388039258.db2.gz FCCXNSGTPDWVLU-GFCCVEGCSA-N 0 3 245.370 3.201 20 0 BGADHN C[C@H](N(C)Cc1cnc2ccccn12)C(C)(C)C ZINC000533249895 388038289 /nfs/dbraw/zinc/03/82/89/388038289.db2.gz FCCXNSGTPDWVLU-LBPRGKRZSA-N 0 3 245.370 3.201 20 0 BGADHN Cc1ncc(CN(C)[C@H](C)C(C)(C)C)s1 ZINC000533250359 388039823 /nfs/dbraw/zinc/03/98/23/388039823.db2.gz BBVNZEPAUZWCCL-SECBINFHSA-N 0 3 226.389 3.318 20 0 BGADHN Cc1ncc(CN(C)[C@@H](C)C(C)(C)C)s1 ZINC000533250360 388040429 /nfs/dbraw/zinc/04/04/29/388040429.db2.gz BBVNZEPAUZWCCL-VIFPVBQESA-N 0 3 226.389 3.318 20 0 BGADHN CC(C)CN(Cc1ccno1)Cc1ccccc1 ZINC000533254693 388035571 /nfs/dbraw/zinc/03/55/71/388035571.db2.gz PYYAKPRAGAZONI-UHFFFAOYSA-N 0 3 244.338 3.333 20 0 BGADHN CN(CCC1CCCCC1)Cc1ccno1 ZINC000533269815 388040381 /nfs/dbraw/zinc/04/03/81/388040381.db2.gz DUMRCKVSTQJMLH-UHFFFAOYSA-N 0 3 222.332 3.077 20 0 BGADHN CC[C@H](C)[C@@H]1CCCCN1Cc1ccno1 ZINC000533290010 388044416 /nfs/dbraw/zinc/04/44/16/388044416.db2.gz KYUWYSDEQOKSRD-AAEUAGOBSA-N 0 3 222.332 3.075 20 0 BGADHN CC[C@@H](C)[C@H]1CCCCN1Cc1ccno1 ZINC000533290011 388044463 /nfs/dbraw/zinc/04/44/63/388044463.db2.gz KYUWYSDEQOKSRD-DGCLKSJQSA-N 0 3 222.332 3.075 20 0 BGADHN CC[C@H](C)[C@H]1CCCCN1Cc1ccno1 ZINC000533290012 388044505 /nfs/dbraw/zinc/04/45/05/388044505.db2.gz KYUWYSDEQOKSRD-WCQYABFASA-N 0 3 222.332 3.075 20 0 BGADHN CC[C@@H](C)[C@@H]1CCCCN1Cc1ccno1 ZINC000533290013 388044029 /nfs/dbraw/zinc/04/40/29/388044029.db2.gz KYUWYSDEQOKSRD-YPMHNXCESA-N 0 3 222.332 3.075 20 0 BGADHN CC[C@@H]1CN(CCc2ccc(C)cc2)C[C@@H](C)O1 ZINC000533304172 388047272 /nfs/dbraw/zinc/04/72/72/388047272.db2.gz UYWWCIFHSIBFNA-GDBMZVCRSA-N 0 3 247.382 3.037 20 0 BGADHN CC[C@@H]1CN(CCc2ccc(C)cc2)C[C@H](C)O1 ZINC000533304173 388047845 /nfs/dbraw/zinc/04/78/45/388047845.db2.gz UYWWCIFHSIBFNA-GOEBONIOSA-N 0 3 247.382 3.037 20 0 BGADHN CC[C@H]1CN(CCc2ccc(C)cc2)C[C@H](C)O1 ZINC000533304174 388047249 /nfs/dbraw/zinc/04/72/49/388047249.db2.gz UYWWCIFHSIBFNA-HOCLYGCPSA-N 0 3 247.382 3.037 20 0 BGADHN CC[C@H]1CN(CCc2ccc(C)cc2)C[C@@H](C)O1 ZINC000533304175 388047259 /nfs/dbraw/zinc/04/72/59/388047259.db2.gz UYWWCIFHSIBFNA-ZBFHGGJFSA-N 0 3 247.382 3.037 20 0 BGADHN CC(C)(C)N(Cc1ccno1)Cc1ccccc1 ZINC000533346409 388056568 /nfs/dbraw/zinc/05/65/68/388056568.db2.gz WMFDNPYFXMJWHG-UHFFFAOYSA-N 0 3 244.338 3.475 20 0 BGADHN CC(C)CC[C@H]1CCCN1Cc1ccno1 ZINC000533347044 388056688 /nfs/dbraw/zinc/05/66/88/388056688.db2.gz BEGWHNPCMVLNHP-GFCCVEGCSA-N 0 3 222.332 3.075 20 0 BGADHN CC(C)CC[C@@H]1CCCN1Cc1ccno1 ZINC000533347045 388056201 /nfs/dbraw/zinc/05/62/01/388056201.db2.gz BEGWHNPCMVLNHP-LBPRGKRZSA-N 0 3 222.332 3.075 20 0 BGADHN CC(C)N(Cc1ccncc1Cl)CC1CC1 ZINC000533358318 388062543 /nfs/dbraw/zinc/06/25/43/388062543.db2.gz ZNNGXLPVQWGTAR-UHFFFAOYSA-N 0 3 238.762 3.355 20 0 BGADHN CCC[C@H]1[C@@H](C)CCCN1Cc1ccno1 ZINC000533388851 384254413 /nfs/dbraw/zinc/25/44/13/384254413.db2.gz GMMHEHDBERQEKY-AAEUAGOBSA-N 0 3 222.332 3.075 20 0 BGADHN CCC[C@@H]1[C@H](C)CCCN1Cc1ccno1 ZINC000533388857 384253424 /nfs/dbraw/zinc/25/34/24/384253424.db2.gz GMMHEHDBERQEKY-DGCLKSJQSA-N 0 3 222.332 3.075 20 0 BGADHN CCC[C@@H]1[C@@H](C)CCCN1Cc1ccno1 ZINC000533388858 384254975 /nfs/dbraw/zinc/25/49/75/384254975.db2.gz GMMHEHDBERQEKY-WCQYABFASA-N 0 3 222.332 3.075 20 0 BGADHN CCC[C@H]1[C@H](C)CCCN1Cc1ccno1 ZINC000533388859 384254635 /nfs/dbraw/zinc/25/46/35/384254635.db2.gz GMMHEHDBERQEKY-YPMHNXCESA-N 0 3 222.332 3.075 20 0 BGADHN Cc1ccc(CCN(C)CCC(F)(F)F)cc1 ZINC000533491124 384371543 /nfs/dbraw/zinc/37/15/43/384371543.db2.gz LIVNZXVRNCRWKV-UHFFFAOYSA-N 0 3 245.288 3.422 20 0 BGADHN CC(C)N(Cc1ccn(C(C)C)n1)CC1CC1 ZINC000533495638 384384735 /nfs/dbraw/zinc/38/47/35/384384735.db2.gz QYIIWYRGOLNRBB-UHFFFAOYSA-N 0 3 235.375 3.084 20 0 BGADHN CC1=CCN(CCc2ccc(F)c(F)c2)CC1 ZINC000533762692 384183592 /nfs/dbraw/zinc/18/35/92/384183592.db2.gz XUTSTUNQFSNYSC-UHFFFAOYSA-N 0 3 237.293 3.159 20 0 BGADHN COc1cccc([C@@H](C)N2CC=C(C)CC2)c1 ZINC000533763420 384185675 /nfs/dbraw/zinc/18/56/75/384185675.db2.gz LTCQDOVRMBNQQN-CYBMUJFWSA-N 0 3 231.339 3.408 20 0 BGADHN COc1cccc([C@H](C)N2CC=C(C)CC2)c1 ZINC000533763421 384184631 /nfs/dbraw/zinc/18/46/31/384184631.db2.gz LTCQDOVRMBNQQN-ZDUSSCGKSA-N 0 3 231.339 3.408 20 0 BGADHN CC1=CCN([C@H]2CCc3ccc(F)cc32)CC1 ZINC000533765503 384186172 /nfs/dbraw/zinc/18/61/72/384186172.db2.gz DRPWFZNBKYXRAA-HNNXBMFYSA-N 0 3 231.314 3.465 20 0 BGADHN CC1=CCN([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000533765504 384186689 /nfs/dbraw/zinc/18/66/89/384186689.db2.gz DRPWFZNBKYXRAA-OAHLLOKOSA-N 0 3 231.314 3.465 20 0 BGADHN CC(C)CCN1CC=C(C(F)(F)F)CC1 ZINC000533833092 384676035 /nfs/dbraw/zinc/67/60/35/384676035.db2.gz MDKKUUNSFAJWPN-UHFFFAOYSA-N 0 3 221.266 3.227 20 0 BGADHN CCC[C@H]1CN(CC2CCCCC2)CCO1 ZINC000533934169 347193991 /nfs/dbraw/zinc/19/39/91/347193991.db2.gz FNPVHXOZGVCSLA-AWEZNQCLSA-N 0 3 225.376 3.068 20 0 BGADHN CCC[C@@H]1CN(CC2CCCCC2)CCO1 ZINC000533934170 347194321 /nfs/dbraw/zinc/19/43/21/347194321.db2.gz FNPVHXOZGVCSLA-CQSZACIVSA-N 0 3 225.376 3.068 20 0 BGADHN CCC[C@@H]1CN(C[C@@H](C)c2ccccc2)CCO1 ZINC000533936090 323084157 /nfs/dbraw/zinc/08/41/57/323084157.db2.gz ZTIDNJYLUGHQFH-GDBMZVCRSA-N 0 3 247.382 3.291 20 0 BGADHN CCC[C@@H]1CN(C[C@H](C)c2ccccc2)CCO1 ZINC000533936091 323084152 /nfs/dbraw/zinc/08/41/52/323084152.db2.gz ZTIDNJYLUGHQFH-GOEBONIOSA-N 0 3 247.382 3.291 20 0 BGADHN CCC[C@H]1CN(C[C@H](C)c2ccccc2)CCO1 ZINC000533936092 323084143 /nfs/dbraw/zinc/08/41/43/323084143.db2.gz ZTIDNJYLUGHQFH-HOCLYGCPSA-N 0 3 247.382 3.291 20 0 BGADHN CCC[C@H]1CN(C[C@@H](C)c2ccccc2)CCO1 ZINC000533936093 323084138 /nfs/dbraw/zinc/08/41/38/323084138.db2.gz ZTIDNJYLUGHQFH-ZBFHGGJFSA-N 0 3 247.382 3.291 20 0 BGADHN CC[C@@]1(C)COCCN1Cc1c(C)cccc1C ZINC000534119069 323113918 /nfs/dbraw/zinc/11/39/18/323113918.db2.gz WXWSMTGMNKOAJY-INIZCTEOSA-N 0 3 247.382 3.304 20 0 BGADHN CC[C@]1(C)COCCN1Cc1c(C)cccc1C ZINC000534119071 323113846 /nfs/dbraw/zinc/11/38/46/323113846.db2.gz WXWSMTGMNKOAJY-MRXNPFEDSA-N 0 3 247.382 3.304 20 0 BGADHN CC[C@@]1(C)COCCN1CCC1CCCC1 ZINC000534119857 323113911 /nfs/dbraw/zinc/11/39/11/323113911.db2.gz ZWORCQLTTWMQFM-AWEZNQCLSA-N 0 3 225.376 3.068 20 0 BGADHN CC[C@]1(C)COCCN1CCC1CCCC1 ZINC000534119860 323113930 /nfs/dbraw/zinc/11/39/30/323113930.db2.gz ZWORCQLTTWMQFM-CQSZACIVSA-N 0 3 225.376 3.068 20 0 BGADHN Cc1ccc(CN2CCOCC23CCCC3)cc1 ZINC000534228633 323114678 /nfs/dbraw/zinc/11/46/78/323114678.db2.gz CNPHXLFRHLJAMF-UHFFFAOYSA-N 0 3 245.366 3.140 20 0 BGADHN CC(C)c1ncc(CN2C3CCC2CC3)s1 ZINC000534331197 323116976 /nfs/dbraw/zinc/11/69/76/323116976.db2.gz BEDHSEACOCNZAW-UHFFFAOYSA-N 0 3 236.384 3.393 20 0 BGADHN CCCn1nc(C)c(CN2C3CCC2CC3)c1C ZINC000534331583 323117033 /nfs/dbraw/zinc/11/70/33/323117033.db2.gz DFJHRGMCAGUGMC-UHFFFAOYSA-N 0 3 247.386 3.037 20 0 BGADHN CCCOc1ccc(CN(C)C2CC2)cc1 ZINC000534336687 323117828 /nfs/dbraw/zinc/11/78/28/323117828.db2.gz XLPLJXLHCACLTR-UHFFFAOYSA-N 0 3 219.328 3.070 20 0 BGADHN CCN(Cc1ccn(C)c1)Cc1ccc(C)cc1 ZINC000534336846 323117770 /nfs/dbraw/zinc/11/77/70/323117770.db2.gz MCIRBEXCKMJDBR-UHFFFAOYSA-N 0 3 242.366 3.356 20 0 BGADHN Cc1ncc(CN(CC2CC2)C(C)C)s1 ZINC000534337182 323117760 /nfs/dbraw/zinc/11/77/60/323117760.db2.gz AKJRPNGSSLRXDW-UHFFFAOYSA-N 0 3 224.373 3.072 20 0 BGADHN C[C@@H]1CCN(Cc2cccn2C)[C@H]2CCCC[C@H]12 ZINC000534337884 323117916 /nfs/dbraw/zinc/11/79/16/323117916.db2.gz ZSTPCHOYHJCVFT-BMFZPTHFSA-N 0 3 246.398 3.426 20 0 BGADHN C[C@@H]1CCN(Cc2cccn2C)[C@@H]2CCCC[C@H]12 ZINC000534337885 323117911 /nfs/dbraw/zinc/11/79/11/323117911.db2.gz ZSTPCHOYHJCVFT-FVQBIDKESA-N 0 3 246.398 3.426 20 0 BGADHN C[C@@H]1CCN(Cc2cccn2C)[C@H]2CCCC[C@@H]12 ZINC000534337886 323117892 /nfs/dbraw/zinc/11/78/92/323117892.db2.gz ZSTPCHOYHJCVFT-KBMXLJTQSA-N 0 3 246.398 3.426 20 0 BGADHN C[C@@H]1CCN(Cc2cccn2C)[C@@H]2CCCC[C@@H]12 ZINC000534337887 323117877 /nfs/dbraw/zinc/11/78/77/323117877.db2.gz ZSTPCHOYHJCVFT-VNQPRFMTSA-N 0 3 246.398 3.426 20 0 BGADHN CC(C)OC1CCN(Cc2ccsc2)CC1 ZINC000534343305 323117283 /nfs/dbraw/zinc/11/72/83/323117283.db2.gz ALAROUCKNVHUSA-UHFFFAOYSA-N 0 3 239.384 3.138 20 0 BGADHN CC(C)OC1CCN(Cc2cccs2)CC1 ZINC000534343322 323117345 /nfs/dbraw/zinc/11/73/45/323117345.db2.gz HERCGCZVVHPQAX-UHFFFAOYSA-N 0 3 239.384 3.138 20 0 BGADHN CCC(CC)N(Cc1ccnn1CC)C1CC1 ZINC000534345248 323117375 /nfs/dbraw/zinc/11/73/75/323117375.db2.gz GESBGDSHSOVLOI-UHFFFAOYSA-N 0 3 235.375 3.056 20 0 BGADHN CCC(CC)N(Cc1cncs1)C1CC1 ZINC000534345310 323117340 /nfs/dbraw/zinc/11/73/40/323117340.db2.gz PZPKHVKXPFSHDK-UHFFFAOYSA-N 0 3 224.373 3.296 20 0 BGADHN CCC(CC)N(Cc1cnn(CC)c1)C1CC1 ZINC000534345327 323117343 /nfs/dbraw/zinc/11/73/43/323117343.db2.gz VPFQVDSLTJSSAV-UHFFFAOYSA-N 0 3 235.375 3.056 20 0 BGADHN C[C@@H]1C[C@H]1c1ccc(CN(C)C2CCOCC2)o1 ZINC000534345566 323117254 /nfs/dbraw/zinc/11/72/54/323117254.db2.gz JWBMEKJOFRLRDE-BXUZGUMPSA-N 0 3 249.354 3.014 20 0 BGADHN C[C@H]1C[C@@H]1c1ccc(CN(C)C2CCOCC2)o1 ZINC000534345567 323117406 /nfs/dbraw/zinc/11/74/06/323117406.db2.gz JWBMEKJOFRLRDE-FZMZJTMJSA-N 0 3 249.354 3.014 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CN(C)C2CCOCC2)o1 ZINC000534345568 323117287 /nfs/dbraw/zinc/11/72/87/323117287.db2.gz JWBMEKJOFRLRDE-RISCZKNCSA-N 0 3 249.354 3.014 20 0 BGADHN C[C@H]1C[C@H]1c1ccc(CN(C)C2CCOCC2)o1 ZINC000534345569 323117394 /nfs/dbraw/zinc/11/73/94/323117394.db2.gz JWBMEKJOFRLRDE-SMDDNHRTSA-N 0 3 249.354 3.014 20 0 BGADHN Cc1ccoc1CN(C)[C@H](C)C(C)(C)C ZINC000534349707 323117510 /nfs/dbraw/zinc/11/75/10/323117510.db2.gz BUBNBZQIAKBXNT-LLVKDONJSA-N 0 3 209.333 3.454 20 0 BGADHN Cc1ccoc1CN(C)[C@@H](C)C(C)(C)C ZINC000534349708 323117577 /nfs/dbraw/zinc/11/75/77/323117577.db2.gz BUBNBZQIAKBXNT-NSHDSACASA-N 0 3 209.333 3.454 20 0 BGADHN C[C@@H](N(C)Cc1cccc2c1OCO2)C(C)(C)C ZINC000534349860 323117591 /nfs/dbraw/zinc/11/75/91/323117591.db2.gz GMKVRSLLYHUUBA-LLVKDONJSA-N 0 3 249.354 3.282 20 0 BGADHN C[C@H](N(C)Cc1cccc2c1OCO2)C(C)(C)C ZINC000534349861 323117490 /nfs/dbraw/zinc/11/74/90/323117490.db2.gz GMKVRSLLYHUUBA-NSHDSACASA-N 0 3 249.354 3.282 20 0 BGADHN C[C@@H](N(C)Cc1cnn2ccccc12)C(C)(C)C ZINC000534349874 323117565 /nfs/dbraw/zinc/11/75/65/323117565.db2.gz LCVJXEGIQLADDD-GFCCVEGCSA-N 0 3 245.370 3.201 20 0 BGADHN C[C@H](N(C)Cc1cnn2ccccc12)C(C)(C)C ZINC000534349875 323117600 /nfs/dbraw/zinc/11/76/00/323117600.db2.gz LCVJXEGIQLADDD-LBPRGKRZSA-N 0 3 245.370 3.201 20 0 BGADHN CCOCCN(CC)Cc1ccc(CC)s1 ZINC000534349990 323117483 /nfs/dbraw/zinc/11/74/83/323117483.db2.gz KWNREVMMICWQSL-UHFFFAOYSA-N 0 3 241.400 3.169 20 0 BGADHN COCCN[C@H](C)c1ccccc1C(C)(C)C ZINC000534355372 323117705 /nfs/dbraw/zinc/11/77/05/323117705.db2.gz WRWLMDQLBQJBTA-GFCCVEGCSA-N 0 3 235.371 3.281 20 0 BGADHN COCCN[C@@H](C)c1ccccc1C(C)(C)C ZINC000534355374 323117695 /nfs/dbraw/zinc/11/76/95/323117695.db2.gz WRWLMDQLBQJBTA-LBPRGKRZSA-N 0 3 235.371 3.281 20 0 BGADHN CC1=CCN(CCSc2ccccc2)CC1 ZINC000534471654 323152786 /nfs/dbraw/zinc/15/27/86/323152786.db2.gz WSTFWUKWQDDRBD-UHFFFAOYSA-N 0 3 233.380 3.431 20 0 BGADHN CC1=CCN(CCCCC(F)(F)F)CC1 ZINC000534472983 323152808 /nfs/dbraw/zinc/15/28/08/323152808.db2.gz KTQFWJLXWMLPHA-UHFFFAOYSA-N 0 3 221.266 3.371 20 0 BGADHN Cc1cc(C)cc(CN2CC=C(C)CC2)c1 ZINC000534473031 323152790 /nfs/dbraw/zinc/15/27/90/323152790.db2.gz XAXGLDOZUJBPTL-UHFFFAOYSA-N 0 3 215.340 3.455 20 0 BGADHN CC1=CCN(C/C=C/c2ccccc2)CC1 ZINC000534476337 323152874 /nfs/dbraw/zinc/15/28/74/323152874.db2.gz MYKJELNOJZZMLL-VMPITWQZSA-N 0 3 213.324 3.352 20 0 BGADHN CC1=CCN(C/C=C\c2ccccc2)CC1 ZINC000534476338 323152864 /nfs/dbraw/zinc/15/28/64/323152864.db2.gz MYKJELNOJZZMLL-YVMONPNESA-N 0 3 213.324 3.352 20 0 BGADHN Cc1cc(C)c(CSCCN(C)C)c(C)c1 ZINC000534519016 323153028 /nfs/dbraw/zinc/15/30/28/323153028.db2.gz RXDBSSPGDMKKNL-UHFFFAOYSA-N 0 3 237.412 3.407 20 0 BGADHN CCC[C@H]1CN(CCCc2ccccc2)CCO1 ZINC000534662445 323159123 /nfs/dbraw/zinc/15/91/23/323159123.db2.gz VGGAXTSVYAUPNP-INIZCTEOSA-N 0 3 247.382 3.120 20 0 BGADHN CCC[C@@H]1CN(CCCc2ccccc2)CCO1 ZINC000534662446 323159108 /nfs/dbraw/zinc/15/91/08/323159108.db2.gz VGGAXTSVYAUPNP-MRXNPFEDSA-N 0 3 247.382 3.120 20 0 BGADHN CCC[C@H]1CN(CCC2CCCC2)CCO1 ZINC000534667708 323158544 /nfs/dbraw/zinc/15/85/44/323158544.db2.gz YZRWGXMPWUYKRP-AWEZNQCLSA-N 0 3 225.376 3.068 20 0 BGADHN CCC[C@@H]1CN(CCC2CCCC2)CCO1 ZINC000534667709 323158637 /nfs/dbraw/zinc/15/86/37/323158637.db2.gz YZRWGXMPWUYKRP-CQSZACIVSA-N 0 3 225.376 3.068 20 0 BGADHN CC[C@@]1(C)COCCN1Cc1cc(C)ccc1C ZINC000534852455 323161466 /nfs/dbraw/zinc/16/14/66/323161466.db2.gz XQARNHGFCSSPJQ-INIZCTEOSA-N 0 3 247.382 3.304 20 0 BGADHN CC[C@]1(C)COCCN1Cc1cc(C)ccc1C ZINC000534852456 323161454 /nfs/dbraw/zinc/16/14/54/323161454.db2.gz XQARNHGFCSSPJQ-MRXNPFEDSA-N 0 3 247.382 3.304 20 0 BGADHN CC[C@@]1(C)COCCN1Cc1cc(C)cc(C)c1 ZINC000534853159 323161451 /nfs/dbraw/zinc/16/14/51/323161451.db2.gz ZKORWSLSMMWQLB-INIZCTEOSA-N 0 3 247.382 3.304 20 0 BGADHN CC[C@]1(C)COCCN1Cc1cc(C)cc(C)c1 ZINC000534853161 323161441 /nfs/dbraw/zinc/16/14/41/323161441.db2.gz ZKORWSLSMMWQLB-MRXNPFEDSA-N 0 3 247.382 3.304 20 0 BGADHN CCCCN1CCc2ccc(Cl)cc2C1 ZINC000534913876 323161861 /nfs/dbraw/zinc/16/18/61/323161861.db2.gz IDSPZZMCWFKHRF-UHFFFAOYSA-N 0 3 223.747 3.498 20 0 BGADHN Cc1cc(F)ccc1CN1C2CCC1CC2 ZINC000535066128 323165070 /nfs/dbraw/zinc/16/50/70/323165070.db2.gz DZTGKJCCBYEJMZ-UHFFFAOYSA-N 0 3 219.303 3.261 20 0 BGADHN CCOc1cccc(CN2C3CCC2CC3)c1 ZINC000535066142 323165021 /nfs/dbraw/zinc/16/50/21/323165021.db2.gz JENYRXBFFKWJRP-UHFFFAOYSA-N 0 3 231.339 3.212 20 0 BGADHN COc1ccccc1/C=C/CN1C2CCC1CC2 ZINC000535066213 323165139 /nfs/dbraw/zinc/16/51/39/323165139.db2.gz GNSJIDBIWIYQII-GQCTYLIASA-N 0 3 243.350 3.335 20 0 BGADHN COc1ccccc1/C=C\CN1C2CCC1CC2 ZINC000535066223 323165072 /nfs/dbraw/zinc/16/50/72/323165072.db2.gz GNSJIDBIWIYQII-XQRVVYSFSA-N 0 3 243.350 3.335 20 0 BGADHN c1nc(C2CC2)sc1CN1C2CCC1CC2 ZINC000535066604 323165118 /nfs/dbraw/zinc/16/51/18/323165118.db2.gz VBAVCYJBOGLGGX-UHFFFAOYSA-N 0 3 234.368 3.147 20 0 BGADHN Fc1ccc(/C=C/CN2C3CCC2CC3)cc1 ZINC000535067236 323165141 /nfs/dbraw/zinc/16/51/41/323165141.db2.gz NQHLDBVUIIYLNR-OWOJBTEDSA-N 0 3 231.314 3.466 20 0 BGADHN Fc1ccc(/C=C\CN2C3CCC2CC3)cc1 ZINC000535067255 323165054 /nfs/dbraw/zinc/16/50/54/323165054.db2.gz NQHLDBVUIIYLNR-UPHRSURJSA-N 0 3 231.314 3.466 20 0 BGADHN c1csc(CN2CCC[C@H]2c2ccccn2)c1 ZINC000535067461 323165087 /nfs/dbraw/zinc/16/50/87/323165087.db2.gz TXBKRQTYLBXYIV-AWEZNQCLSA-N 0 3 244.363 3.480 20 0 BGADHN c1csc(CN2CCC[C@@H]2c2ccccn2)c1 ZINC000535067478 323165102 /nfs/dbraw/zinc/16/51/02/323165102.db2.gz TXBKRQTYLBXYIV-CQSZACIVSA-N 0 3 244.363 3.480 20 0 BGADHN Cc1ccc(CN2C3CCC2CC3)cc1F ZINC000535069217 323165334 /nfs/dbraw/zinc/16/53/34/323165334.db2.gz HLSFPKABZYIKSN-UHFFFAOYSA-N 0 3 219.303 3.261 20 0 BGADHN CCN(Cc1cccn1C)Cc1ccc(C)cc1 ZINC000535072429 323165450 /nfs/dbraw/zinc/16/54/50/323165450.db2.gz GEBHLNQHTWGLQX-UHFFFAOYSA-N 0 3 242.366 3.356 20 0 BGADHN CCc1ccc(CN(CC)C2CC2)s1 ZINC000535072641 323165621 /nfs/dbraw/zinc/16/56/21/323165621.db2.gz XCJKPGGRWQEXAB-UHFFFAOYSA-N 0 3 209.358 3.295 20 0 BGADHN CCN(Cc1cnc(C2CC2)s1)CC(C)C ZINC000535072644 323165601 /nfs/dbraw/zinc/16/56/01/323165601.db2.gz XXMBDGULFSORAU-UHFFFAOYSA-N 0 3 238.400 3.498 20 0 BGADHN C[C@@H]1CCN(CC2=CCCOC2)[C@H]2CCCC[C@H]12 ZINC000535072742 323165607 /nfs/dbraw/zinc/16/56/07/323165607.db2.gz IPIGMALHCKWSEG-BMFZPTHFSA-N 0 3 249.398 3.234 20 0 BGADHN C[C@@H]1CCN(CC2=CCCOC2)[C@@H]2CCCC[C@H]12 ZINC000535072743 323165573 /nfs/dbraw/zinc/16/55/73/323165573.db2.gz IPIGMALHCKWSEG-FVQBIDKESA-N 0 3 249.398 3.234 20 0 BGADHN C[C@@H]1CCN(CC2=CCCOC2)[C@H]2CCCC[C@@H]12 ZINC000535072744 323165567 /nfs/dbraw/zinc/16/55/67/323165567.db2.gz IPIGMALHCKWSEG-KBMXLJTQSA-N 0 3 249.398 3.234 20 0 BGADHN C[C@@H]1CCN(CC2=CCCOC2)[C@@H]2CCCC[C@@H]12 ZINC000535072745 323165456 /nfs/dbraw/zinc/16/54/56/323165456.db2.gz IPIGMALHCKWSEG-VNQPRFMTSA-N 0 3 249.398 3.234 20 0 BGADHN Cc1n[nH]cc1CN1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000535073317 323165528 /nfs/dbraw/zinc/16/55/28/323165528.db2.gz AGLLFDDOYMUSPG-CQDKDKBSSA-N 0 3 247.386 3.119 20 0 BGADHN Cc1n[nH]cc1CN1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000535073320 323165427 /nfs/dbraw/zinc/16/54/27/323165427.db2.gz AGLLFDDOYMUSPG-GLQYFDAESA-N 0 3 247.386 3.119 20 0 BGADHN Cc1n[nH]cc1CN1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000535073321 323165554 /nfs/dbraw/zinc/16/55/54/323165554.db2.gz AGLLFDDOYMUSPG-NILFDRSVSA-N 0 3 247.386 3.119 20 0 BGADHN Cc1n[nH]cc1CN1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000535073322 323165404 /nfs/dbraw/zinc/16/54/04/323165404.db2.gz AGLLFDDOYMUSPG-TUKIKUTGSA-N 0 3 247.386 3.119 20 0 BGADHN CCC(CC)[N@@H+](Cc1nc(C)ccc1[O-])C1CC1 ZINC000535080698 323165953 /nfs/dbraw/zinc/16/59/53/323165953.db2.gz JZCZZGBUQHXMGF-UHFFFAOYSA-N 0 3 248.370 3.249 20 0 BGADHN CCC(CC)[N@H+](Cc1nc(C)ccc1[O-])C1CC1 ZINC000535080698 323165952 /nfs/dbraw/zinc/16/59/52/323165952.db2.gz JZCZZGBUQHXMGF-UHFFFAOYSA-N 0 3 248.370 3.249 20 0 BGADHN CN(Cc1cnc(C2CC2)s1)C1CCCC1 ZINC000535080772 323165817 /nfs/dbraw/zinc/16/58/17/323165817.db2.gz GNTYLSDVEUWEPZ-UHFFFAOYSA-N 0 3 236.384 3.395 20 0 BGADHN CCCn1cc(CN(C(CC)CC)C2CC2)cn1 ZINC000535081241 323165919 /nfs/dbraw/zinc/16/59/19/323165919.db2.gz ZSSVOUIHVMAJAG-UHFFFAOYSA-N 0 3 249.402 3.446 20 0 BGADHN CC(C)n1cc(CN(C)[C@H](C)C(C)(C)C)cn1 ZINC000535084986 323166028 /nfs/dbraw/zinc/16/60/28/323166028.db2.gz QSSQIQPZBXGQEZ-GFCCVEGCSA-N 0 3 237.391 3.330 20 0 BGADHN CC(C)n1cc(CN(C)[C@@H](C)C(C)(C)C)cn1 ZINC000535084993 323166155 /nfs/dbraw/zinc/16/61/55/323166155.db2.gz QSSQIQPZBXGQEZ-LBPRGKRZSA-N 0 3 237.391 3.330 20 0 BGADHN Cc1ccc(CN(C)[C@H](C)C(C)(C)C)o1 ZINC000535085117 323166032 /nfs/dbraw/zinc/16/60/32/323166032.db2.gz SJPJZHUVALJWPU-LLVKDONJSA-N 0 3 209.333 3.454 20 0 BGADHN Cc1ccc(CN(C)[C@@H](C)C(C)(C)C)o1 ZINC000535085118 323166035 /nfs/dbraw/zinc/16/60/35/323166035.db2.gz SJPJZHUVALJWPU-NSHDSACASA-N 0 3 209.333 3.454 20 0 BGADHN C[C@H]1CN(Cc2ccccc2)C[C@H](C)S1 ZINC000535085207 323165980 /nfs/dbraw/zinc/16/59/80/323165980.db2.gz BQXWYOCZPPKARE-RYUDHWBXSA-N 0 3 221.369 3.012 20 0 BGADHN C[C@@H]1CN(Cc2ccccc2)C[C@H](C)S1 ZINC000535085215 323166040 /nfs/dbraw/zinc/16/60/40/323166040.db2.gz BQXWYOCZPPKARE-TXEJJXNPSA-N 0 3 221.369 3.012 20 0 BGADHN C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)S1 ZINC000535085216 323166134 /nfs/dbraw/zinc/16/61/34/323166134.db2.gz BQXWYOCZPPKARE-VXGBXAGGSA-N 0 3 221.369 3.012 20 0 BGADHN Cc1ccc(CN(C)[C@H](C)C(C)(C)C)nc1 ZINC000535085415 323166011 /nfs/dbraw/zinc/16/60/11/323166011.db2.gz PVFAMPDSMWKEPI-GFCCVEGCSA-N 0 3 220.360 3.256 20 0 BGADHN Cc1ccc(CN(C)[C@@H](C)C(C)(C)C)nc1 ZINC000535085416 323166144 /nfs/dbraw/zinc/16/61/44/323166144.db2.gz PVFAMPDSMWKEPI-LBPRGKRZSA-N 0 3 220.360 3.256 20 0 BGADHN Cc1ccc(C)c(OCCN2CC=C(C)CC2)c1 ZINC000535205204 323168464 /nfs/dbraw/zinc/16/84/64/323168464.db2.gz GRNHLLKRPHVHNO-UHFFFAOYSA-N 0 3 245.366 3.334 20 0 BGADHN CC1=CCN(CCO[C@H]2CCCC[C@H]2C)CC1 ZINC000535210180 323168141 /nfs/dbraw/zinc/16/81/41/323168141.db2.gz FEGLNBZXYJJIPU-CABCVRRESA-N 0 3 237.387 3.234 20 0 BGADHN CC1=CCN(CCO[C@H]2CCCC[C@@H]2C)CC1 ZINC000535210202 323168177 /nfs/dbraw/zinc/16/81/77/323168177.db2.gz FEGLNBZXYJJIPU-GJZGRUSLSA-N 0 3 237.387 3.234 20 0 BGADHN CC1=CCN(CCO[C@@H]2CCCC[C@H]2C)CC1 ZINC000535210203 323168131 /nfs/dbraw/zinc/16/81/31/323168131.db2.gz FEGLNBZXYJJIPU-HUUCEWRRSA-N 0 3 237.387 3.234 20 0 BGADHN CC1=CCN(CCO[C@@H]2CCCC[C@@H]2C)CC1 ZINC000535210205 323168088 /nfs/dbraw/zinc/16/80/88/323168088.db2.gz FEGLNBZXYJJIPU-LSDHHAIUSA-N 0 3 237.387 3.234 20 0 BGADHN CCc1ccc(CCSCCN(C)C)cc1 ZINC000535255783 323169288 /nfs/dbraw/zinc/16/92/88/323169288.db2.gz VGDKKFLXKGGVGM-UHFFFAOYSA-N 0 3 237.412 3.086 20 0 BGADHN FC(F)(F)C1=CCN(CC2CCCC2)CC1 ZINC000535281843 323169985 /nfs/dbraw/zinc/16/99/85/323169985.db2.gz ZLMHWBKBSMZJNN-UHFFFAOYSA-N 0 3 233.277 3.371 20 0 BGADHN CC[C@@H](C)N(CC(=O)OC(C)(C)C)CC(C)C ZINC000535405850 323172806 /nfs/dbraw/zinc/17/28/06/323172806.db2.gz NXEGQJRWYZZYEX-GFCCVEGCSA-N 0 3 243.391 3.085 20 0 BGADHN CC[C@H](C)N(CC(=O)OC(C)(C)C)CC(C)C ZINC000535405851 323172760 /nfs/dbraw/zinc/17/27/60/323172760.db2.gz NXEGQJRWYZZYEX-LBPRGKRZSA-N 0 3 243.391 3.085 20 0 BGADHN CC[C@@]1(C)COCCN1CCCc1ccccc1 ZINC000535566991 323185877 /nfs/dbraw/zinc/18/58/77/323185877.db2.gz NVOQOHDTGZBEAW-INIZCTEOSA-N 0 3 247.382 3.120 20 0 BGADHN CC[C@]1(C)COCCN1CCCc1ccccc1 ZINC000535567000 323185783 /nfs/dbraw/zinc/18/57/83/323185783.db2.gz NVOQOHDTGZBEAW-MRXNPFEDSA-N 0 3 247.382 3.120 20 0 BGADHN CC[C@@]1(C)COCCN1CCc1ccc(C)cc1 ZINC000535567532 323185787 /nfs/dbraw/zinc/18/57/87/323185787.db2.gz RYPJOSMMVOKKNZ-INIZCTEOSA-N 0 3 247.382 3.038 20 0 BGADHN CC[C@]1(C)COCCN1CCc1ccc(C)cc1 ZINC000535567536 323185856 /nfs/dbraw/zinc/18/58/56/323185856.db2.gz RYPJOSMMVOKKNZ-MRXNPFEDSA-N 0 3 247.382 3.038 20 0 BGADHN CCN(CC)Cc1cc2ccccc2nc1OC ZINC000535778333 323191099 /nfs/dbraw/zinc/19/10/99/323191099.db2.gz ALPHDNPYLLDGJD-UHFFFAOYSA-N 0 3 244.338 3.085 20 0 BGADHN Cc1ccc(F)c(CN2C3CCC2CC3)c1 ZINC000535779895 323191185 /nfs/dbraw/zinc/19/11/85/323191185.db2.gz NACIZLQIBQXJQD-UHFFFAOYSA-N 0 3 219.303 3.261 20 0 BGADHN CCc1ccc(CN(C)[C@H]2CCSC2)s1 ZINC000535781075 323191224 /nfs/dbraw/zinc/19/12/24/323191224.db2.gz AJRICHKSVGTSMH-JTQLQIEISA-N 0 3 241.425 3.248 20 0 BGADHN CCc1ccc(CN(C)[C@@H]2CCSC2)s1 ZINC000535781079 323191172 /nfs/dbraw/zinc/19/11/72/323191172.db2.gz AJRICHKSVGTSMH-SNVBAGLBSA-N 0 3 241.425 3.248 20 0 BGADHN CC(C)[N@H+](Cc1cccc([O-])c1)CC1CC1 ZINC000535785608 323191436 /nfs/dbraw/zinc/19/14/36/323191436.db2.gz JQBCUPXHNCJMAP-UHFFFAOYSA-N 0 3 219.328 3.013 20 0 BGADHN CC(C)[N@@H+](Cc1cccc([O-])c1)CC1CC1 ZINC000535785608 323191435 /nfs/dbraw/zinc/19/14/35/323191435.db2.gz JQBCUPXHNCJMAP-UHFFFAOYSA-N 0 3 219.328 3.013 20 0 BGADHN Cc1ncsc1CN(CC1CC1)C(C)C ZINC000535786156 323191369 /nfs/dbraw/zinc/19/13/69/323191369.db2.gz DOAKCFLLUPAMFV-UHFFFAOYSA-N 0 3 224.373 3.072 20 0 BGADHN C[C@H]1CCN(Cc2cnc(C3CC3)s2)[C@H]1C ZINC000535799912 323191867 /nfs/dbraw/zinc/19/18/67/323191867.db2.gz IHBRHPMQCPMKNC-UWVGGRQHSA-N 0 3 236.384 3.251 20 0 BGADHN C[C@@H]1CCN(Cc2cnc(C3CC3)s2)[C@H]1C ZINC000535799913 323191947 /nfs/dbraw/zinc/19/19/47/323191947.db2.gz IHBRHPMQCPMKNC-ZJUUUORDSA-N 0 3 236.384 3.251 20 0 BGADHN CC(C)CN(C)Cc1cnc(C2CC2)s1 ZINC000535822929 323192489 /nfs/dbraw/zinc/19/24/89/323192489.db2.gz BRQGATGZTUJYOZ-UHFFFAOYSA-N 0 3 224.373 3.108 20 0 BGADHN CC(C)[C@H]1CCN(Cc2ccc(Cl)o2)C1 ZINC000535824992 323192456 /nfs/dbraw/zinc/19/24/56/323192456.db2.gz DIAOTKGGUKZEGS-JTQLQIEISA-N 0 3 227.735 3.411 20 0 BGADHN CC(C)[C@@H]1CCN(Cc2ccc(Cl)o2)C1 ZINC000535824994 323192472 /nfs/dbraw/zinc/19/24/72/323192472.db2.gz DIAOTKGGUKZEGS-SNVBAGLBSA-N 0 3 227.735 3.411 20 0 BGADHN CC[C@@H]1CCN(Cc2cc(C)ccc2F)C1 ZINC000535825472 323192881 /nfs/dbraw/zinc/19/28/81/323192881.db2.gz AXTOEYSYQSXWMA-GFCCVEGCSA-N 0 3 221.319 3.366 20 0 BGADHN CC[C@H]1CCN(Cc2cc(C)ccc2F)C1 ZINC000535825476 323192793 /nfs/dbraw/zinc/19/27/93/323192793.db2.gz AXTOEYSYQSXWMA-LBPRGKRZSA-N 0 3 221.319 3.366 20 0 BGADHN C[C@@H](N(C)Cc1cncs1)C(C)(C)C ZINC000535826673 323192671 /nfs/dbraw/zinc/19/26/71/323192671.db2.gz NUDSELJYBNBMDA-SECBINFHSA-N 0 3 212.362 3.010 20 0 BGADHN C[C@H](N(C)Cc1cncs1)C(C)(C)C ZINC000535826674 323192810 /nfs/dbraw/zinc/19/28/10/323192810.db2.gz NUDSELJYBNBMDA-VIFPVBQESA-N 0 3 212.362 3.010 20 0 BGADHN CN(Cc1cnccn1)C[C@@H]1CCCC(C)(C)C1 ZINC000535826715 323192842 /nfs/dbraw/zinc/19/28/42/323192842.db2.gz VKNKUVRQVHJUAK-CYBMUJFWSA-N 0 3 247.386 3.125 20 0 BGADHN CN(Cc1cnccn1)C[C@H]1CCCC(C)(C)C1 ZINC000535826716 323192776 /nfs/dbraw/zinc/19/27/76/323192776.db2.gz VKNKUVRQVHJUAK-ZDUSSCGKSA-N 0 3 247.386 3.125 20 0 BGADHN CCCn1cc(CN(C)[C@H](C)C(C)(C)C)cn1 ZINC000535827961 323192931 /nfs/dbraw/zinc/19/29/31/323192931.db2.gz UHXAIQCKJPPPLB-GFCCVEGCSA-N 0 3 237.391 3.160 20 0 BGADHN CCCn1cc(CN(C)[C@@H](C)C(C)(C)C)cn1 ZINC000535827966 323192928 /nfs/dbraw/zinc/19/29/28/323192928.db2.gz UHXAIQCKJPPPLB-LBPRGKRZSA-N 0 3 237.391 3.160 20 0 BGADHN Cc1cccc(C)c1OCCN1CC=C(C)CC1 ZINC000535963524 323194982 /nfs/dbraw/zinc/19/49/82/323194982.db2.gz KCGNGDKWDWPCFM-UHFFFAOYSA-N 0 3 245.366 3.334 20 0 BGADHN CC1=CCN(CCCOc2ccc(F)cc2)CC1 ZINC000535963899 323194909 /nfs/dbraw/zinc/19/49/09/323194909.db2.gz OLSDCQOBYAJAJC-UHFFFAOYSA-N 0 3 249.329 3.247 20 0 BGADHN CCc1ccc(CN2CC=C(C)CC2)cc1 ZINC000535964278 323194844 /nfs/dbraw/zinc/19/48/44/323194844.db2.gz QIPKZUHNLQBWEC-UHFFFAOYSA-N 0 3 215.340 3.401 20 0 BGADHN CC1=CCN(CCOC2CCCCCC2)CC1 ZINC000535971250 487605860 /nfs/dbraw/zinc/60/58/60/487605860.db2.gz QEXZYBWEEAGHON-UHFFFAOYSA-N 0 3 237.387 3.378 20 0 BGADHN CC[C@@H]1C[C@@H](C)CN1Cc1cc(OC)cc(C)n1 ZINC000536036013 323195265 /nfs/dbraw/zinc/19/52/65/323195265.db2.gz RXRZITZIYHVHTN-BXUZGUMPSA-N 0 3 248.370 3.019 20 0 BGADHN CC[C@H]1C[C@H](C)CN1Cc1cc(OC)cc(C)n1 ZINC000536036020 323195375 /nfs/dbraw/zinc/19/53/75/323195375.db2.gz RXRZITZIYHVHTN-FZMZJTMJSA-N 0 3 248.370 3.019 20 0 BGADHN CC[C@H]1C[C@@H](C)CN1Cc1cc(OC)cc(C)n1 ZINC000536036021 323195392 /nfs/dbraw/zinc/19/53/92/323195392.db2.gz RXRZITZIYHVHTN-RISCZKNCSA-N 0 3 248.370 3.019 20 0 BGADHN CC[C@@H]1C[C@H](C)CN1Cc1cc(OC)cc(C)n1 ZINC000536036023 323195261 /nfs/dbraw/zinc/19/52/61/323195261.db2.gz RXRZITZIYHVHTN-SMDDNHRTSA-N 0 3 248.370 3.019 20 0 BGADHN COc1cc(C)nc(CN(CC2CC2)C(C)C)c1 ZINC000536039517 323195279 /nfs/dbraw/zinc/19/52/79/323195279.db2.gz OKXZBHICVPVHLA-UHFFFAOYSA-N 0 3 248.370 3.019 20 0 BGADHN CCCCCN1CC=C(C(F)(F)F)CC1 ZINC000536040179 323195371 /nfs/dbraw/zinc/19/53/71/323195371.db2.gz ZSWXLFDJAHHYJG-UHFFFAOYSA-N 0 3 221.266 3.371 20 0 BGADHN CC(C)CN1CCc2ccc(Cl)cc2C1 ZINC000536416333 384784330 /nfs/dbraw/zinc/78/43/30/384784330.db2.gz OWCZJQDYGGCTHZ-UHFFFAOYSA-N 0 3 223.747 3.354 20 0 BGADHN Clc1ccc2c(c1)CN(CCC1CC1)CC2 ZINC000536426280 398323016 /nfs/dbraw/zinc/32/30/16/398323016.db2.gz JPDWLIOPXICWCP-UHFFFAOYSA-N 0 3 235.758 3.498 20 0 BGADHN Cc1cc(CN2C3CCC2CC3)ccc1F ZINC000536628106 323198795 /nfs/dbraw/zinc/19/87/95/323198795.db2.gz QIVCAMYZWUQNAK-UHFFFAOYSA-N 0 3 219.303 3.261 20 0 BGADHN CCOc1ccccc1CN1C2CCC1CC2 ZINC000536628200 323198826 /nfs/dbraw/zinc/19/88/26/323198826.db2.gz HNRSBMWWDPYPHU-UHFFFAOYSA-N 0 3 231.339 3.212 20 0 BGADHN c1ccc2c(c1)C=C(CN1C3CCC1CC3)CO2 ZINC000536629201 323198931 /nfs/dbraw/zinc/19/89/31/323198931.db2.gz JHLKHZRZCZKDOF-UHFFFAOYSA-N 0 3 241.334 3.089 20 0 BGADHN CCCN(C)Cc1cc2ccccc2nc1OC ZINC000536631974 323198947 /nfs/dbraw/zinc/19/89/47/323198947.db2.gz GHPYOEWMFBCEMK-UHFFFAOYSA-N 0 3 244.338 3.085 20 0 BGADHN COc1nc2ccccc2cc1CN(C)C(C)C ZINC000536633652 323198974 /nfs/dbraw/zinc/19/89/74/323198974.db2.gz XNGYPXPIRVXUGF-UHFFFAOYSA-N 0 3 244.338 3.084 20 0 BGADHN CCN(Cc1ccc(C)cc1)CC1=CCCOC1 ZINC000536637990 323199199 /nfs/dbraw/zinc/19/91/99/323199199.db2.gz GHKOIBAILWOXSL-UHFFFAOYSA-N 0 3 245.366 3.164 20 0 BGADHN C[C@@H]1CCN(Cc2ccn(C)c2)[C@H]2CCCC[C@H]12 ZINC000536639018 323199137 /nfs/dbraw/zinc/19/91/37/323199137.db2.gz VJUCAMJLGZDKJM-BMFZPTHFSA-N 0 3 246.398 3.426 20 0 BGADHN C[C@@H]1CCN(Cc2ccn(C)c2)[C@@H]2CCCC[C@H]12 ZINC000536639019 323199334 /nfs/dbraw/zinc/19/93/34/323199334.db2.gz VJUCAMJLGZDKJM-FVQBIDKESA-N 0 3 246.398 3.426 20 0 BGADHN C[C@@H]1CCN(Cc2ccn(C)c2)[C@H]2CCCC[C@@H]12 ZINC000536639020 323199315 /nfs/dbraw/zinc/19/93/15/323199315.db2.gz VJUCAMJLGZDKJM-KBMXLJTQSA-N 0 3 246.398 3.426 20 0 BGADHN C[C@@H]1CCN(Cc2ccn(C)c2)[C@@H]2CCCC[C@@H]12 ZINC000536639021 323199307 /nfs/dbraw/zinc/19/93/07/323199307.db2.gz VJUCAMJLGZDKJM-VNQPRFMTSA-N 0 3 246.398 3.426 20 0 BGADHN CCc1ncc(CN(CC2CC2)C(C)C)s1 ZINC000536639917 323199190 /nfs/dbraw/zinc/19/91/90/323199190.db2.gz ZOJIQGHTBJKNEW-UHFFFAOYSA-N 0 3 238.400 3.326 20 0 BGADHN CCOc1cccc(CN(CC2CC2)C(C)C)n1 ZINC000536640099 323199156 /nfs/dbraw/zinc/19/91/56/323199156.db2.gz RQGCQRKGWJBJRL-UHFFFAOYSA-N 0 3 248.370 3.101 20 0 BGADHN CC[C@@H](C)N(C)Cc1cnc(C2CC2)s1 ZINC000536649659 323199643 /nfs/dbraw/zinc/19/96/43/323199643.db2.gz BVHNYKRNXVRWHW-SECBINFHSA-N 0 3 224.373 3.251 20 0 BGADHN CC[C@H](C)N(C)Cc1cnc(C2CC2)s1 ZINC000536649660 323199578 /nfs/dbraw/zinc/19/95/78/323199578.db2.gz BVHNYKRNXVRWHW-VIFPVBQESA-N 0 3 224.373 3.251 20 0 BGADHN COCc1ccc(CN(C)[C@H](C)C(C)(C)C)o1 ZINC000536655841 323200013 /nfs/dbraw/zinc/20/00/13/323200013.db2.gz PZMBXKIJGZCBNK-LLVKDONJSA-N 0 3 239.359 3.292 20 0 BGADHN COCc1ccc(CN(C)[C@@H](C)C(C)(C)C)o1 ZINC000536655842 323199956 /nfs/dbraw/zinc/19/99/56/323199956.db2.gz PZMBXKIJGZCBNK-NSHDSACASA-N 0 3 239.359 3.292 20 0 BGADHN Cc1ncsc1CN(C)[C@@H](C)C(C)(C)C ZINC000536655989 323199952 /nfs/dbraw/zinc/19/99/52/323199952.db2.gz WJDQXJVCHFNINM-JTQLQIEISA-N 0 3 226.389 3.318 20 0 BGADHN Cc1ncsc1CN(C)[C@H](C)C(C)(C)C ZINC000536655990 323200095 /nfs/dbraw/zinc/20/00/95/323200095.db2.gz WJDQXJVCHFNINM-SNVBAGLBSA-N 0 3 226.389 3.318 20 0 BGADHN CO[C@H]1CCCN(Cc2ccc(C(C)C)cc2)C1 ZINC000536657434 323199926 /nfs/dbraw/zinc/19/99/26/323199926.db2.gz TVFQVBLMUHECLD-INIZCTEOSA-N 0 3 247.382 3.421 20 0 BGADHN CO[C@@H]1CCCN(Cc2ccc(C(C)C)cc2)C1 ZINC000536657435 323199908 /nfs/dbraw/zinc/19/99/08/323199908.db2.gz TVFQVBLMUHECLD-MRXNPFEDSA-N 0 3 247.382 3.421 20 0 BGADHN C[C@@H]1C[C@@H](C)N(Cc2cc(F)cc(F)c2)C1 ZINC000536659196 323199778 /nfs/dbraw/zinc/19/97/78/323199778.db2.gz NCZBBRTVYGTFFS-NXEZZACHSA-N 0 3 225.282 3.195 20 0 BGADHN C[C@H]1C[C@H](C)N(Cc2cc(F)cc(F)c2)C1 ZINC000536659197 323199760 /nfs/dbraw/zinc/19/97/60/323199760.db2.gz NCZBBRTVYGTFFS-UWVGGRQHSA-N 0 3 225.282 3.195 20 0 BGADHN C[C@@H]1C[C@H](C)CN1Cc1cc(F)cc(F)c1 ZINC000536659198 323199862 /nfs/dbraw/zinc/19/98/62/323199862.db2.gz NCZBBRTVYGTFFS-VHSXEESVSA-N 0 3 225.282 3.195 20 0 BGADHN C[C@@H]1C[C@H](C)N(Cc2cc(F)cc(F)c2)C1 ZINC000536659199 323199745 /nfs/dbraw/zinc/19/97/45/323199745.db2.gz NCZBBRTVYGTFFS-ZJUUUORDSA-N 0 3 225.282 3.195 20 0 BGADHN C(C1CCCCCC1)N1CCOC2(CCC2)C1 ZINC000536660028 323199821 /nfs/dbraw/zinc/19/98/21/323199821.db2.gz SMLTWVDATBOLLK-UHFFFAOYSA-N 0 3 237.387 3.212 20 0 BGADHN C[C@@H]1C[C@H](C)N(Cc2ccc(Cl)o2)C1 ZINC000536663071 323199885 /nfs/dbraw/zinc/19/98/85/323199885.db2.gz USNLRJHKLWXUIJ-BDAKNGLRSA-N 0 3 213.708 3.163 20 0 BGADHN C[C@@H]1C[C@H](C)CN1Cc1ccc(Cl)o1 ZINC000536663072 323199748 /nfs/dbraw/zinc/19/97/48/323199748.db2.gz USNLRJHKLWXUIJ-DTWKUNHWSA-N 0 3 213.708 3.163 20 0 BGADHN C[C@H]1C[C@H](C)N(Cc2ccc(Cl)o2)C1 ZINC000536663073 323199859 /nfs/dbraw/zinc/19/98/59/323199859.db2.gz USNLRJHKLWXUIJ-IUCAKERBSA-N 0 3 213.708 3.163 20 0 BGADHN C[C@@H]1C[C@@H](C)N(Cc2ccc(Cl)o2)C1 ZINC000536663074 323199803 /nfs/dbraw/zinc/19/98/03/323199803.db2.gz USNLRJHKLWXUIJ-RKDXNWHRSA-N 0 3 213.708 3.163 20 0 BGADHN C[C@H]1CN(Cc2ccc(Cl)s2)C[C@H]1C ZINC000536668155 323200110 /nfs/dbraw/zinc/20/01/10/323200110.db2.gz NKTOVHNXNDOOGE-DTORHVGOSA-N 0 3 229.776 3.489 20 0 BGADHN C[C@H]1CN(Cc2ccc(Cl)s2)C[C@@H]1C ZINC000536668156 323200394 /nfs/dbraw/zinc/20/03/94/323200394.db2.gz NKTOVHNXNDOOGE-IUCAKERBSA-N 0 3 229.776 3.489 20 0 BGADHN C[C@@H]1CN(Cc2ccc(Cl)s2)C[C@H]1C ZINC000536668157 323200450 /nfs/dbraw/zinc/20/04/50/323200450.db2.gz NKTOVHNXNDOOGE-RKDXNWHRSA-N 0 3 229.776 3.489 20 0 BGADHN CC[C@H](CN1CCO[C@@H](C)[C@H]1C)c1ccccc1 ZINC000536668286 323200442 /nfs/dbraw/zinc/20/04/42/323200442.db2.gz RGTSVLCWCGEZJS-QLFBSQMISA-N 0 3 247.382 3.289 20 0 BGADHN CC[C@H](CN1CCO[C@H](C)[C@H]1C)c1ccccc1 ZINC000536668287 323200268 /nfs/dbraw/zinc/20/02/68/323200268.db2.gz RGTSVLCWCGEZJS-RBSFLKMASA-N 0 3 247.382 3.289 20 0 BGADHN CC[C@H](CN1CCO[C@H](C)[C@@H]1C)c1ccccc1 ZINC000536668288 323200299 /nfs/dbraw/zinc/20/02/99/323200299.db2.gz RGTSVLCWCGEZJS-RRFJBIMHSA-N 0 3 247.382 3.289 20 0 BGADHN CC[C@H](CN1CCO[C@@H](C)[C@@H]1C)c1ccccc1 ZINC000536668289 323200291 /nfs/dbraw/zinc/20/02/91/323200291.db2.gz RGTSVLCWCGEZJS-SOUVJXGZSA-N 0 3 247.382 3.289 20 0 BGADHN CCc1ccc(CN2CC=C(C)CC2)s1 ZINC000536668995 323200315 /nfs/dbraw/zinc/20/03/15/323200315.db2.gz LTMKRFWIJWSRRG-UHFFFAOYSA-N 0 3 221.369 3.463 20 0 BGADHN Cc1ccc(CN2CC=C(C)CC2)cc1C ZINC000536670845 323200420 /nfs/dbraw/zinc/20/04/20/323200420.db2.gz MHBDEZQGRMGNGD-UHFFFAOYSA-N 0 3 215.340 3.455 20 0 BGADHN CC1=CCN(Cc2ccnc3ccccc23)CC1 ZINC000536671100 323200481 /nfs/dbraw/zinc/20/04/81/323200481.db2.gz XTQOSFKGRJCYLF-UHFFFAOYSA-N 0 3 238.334 3.387 20 0 BGADHN CCN(Cc1cc(C)ccc1F)CC1CC1 ZINC000536673745 323200626 /nfs/dbraw/zinc/20/06/26/323200626.db2.gz JTSDZHBEUIIPAX-UHFFFAOYSA-N 0 3 221.319 3.366 20 0 BGADHN CC1(C)[C@@H]2CN(Cc3ccccc3Cl)C[C@@H]21 ZINC000536678092 323200665 /nfs/dbraw/zinc/20/06/65/323200665.db2.gz XSOSYKUTYBJYHA-TXEJJXNPSA-N 0 3 235.758 3.428 20 0 BGADHN CC(C)Oc1cccc(CN2CCC2(C)C)c1 ZINC000536678123 323200763 /nfs/dbraw/zinc/20/07/63/323200763.db2.gz AEDOUIGAEPIWTJ-UHFFFAOYSA-N 0 3 233.355 3.458 20 0 BGADHN COc1ccccc1/C=C\CN1CCC1(C)C ZINC000536678234 323200718 /nfs/dbraw/zinc/20/07/18/323200718.db2.gz KKFXLXMGFUWCEL-VURMDHGXSA-N 0 3 231.339 3.193 20 0 BGADHN CC1(C)CCN1Cc1cc2ccccc2o1 ZINC000536678388 323200615 /nfs/dbraw/zinc/20/06/15/323200615.db2.gz VYYFHYVHEJYJJP-UHFFFAOYSA-N 0 3 215.296 3.417 20 0 BGADHN Cc1cc(CN2CCC2(C)C)c(C)s1 ZINC000536679965 323200955 /nfs/dbraw/zinc/20/09/55/323200955.db2.gz ZBSNBEOZPSGJLT-UHFFFAOYSA-N 0 3 209.358 3.349 20 0 BGADHN Cc1cc(F)ccc1CN1CCC(C)(C)C1 ZINC000536680380 323200868 /nfs/dbraw/zinc/20/08/68/323200868.db2.gz QQNMEUQYXUTHFH-UHFFFAOYSA-N 0 3 221.319 3.366 20 0 BGADHN CC(C)Oc1ccccc1CN1CCC1(C)C ZINC000536680870 323200782 /nfs/dbraw/zinc/20/07/82/323200782.db2.gz DQQLBQFFGBZQFN-UHFFFAOYSA-N 0 3 233.355 3.458 20 0 BGADHN CC(C)Oc1ccc(CN2CCC2(C)C)cc1 ZINC000536681004 323200811 /nfs/dbraw/zinc/20/08/11/323200811.db2.gz HXWZGZJJCDJBJX-UHFFFAOYSA-N 0 3 233.355 3.458 20 0 BGADHN c1nc(C2CC2)sc1CN1CC[C@@H](C2CC2)C1 ZINC000536695879 323201152 /nfs/dbraw/zinc/20/11/52/323201152.db2.gz CQVAFRGOWAAVCM-GFCCVEGCSA-N 0 3 248.395 3.252 20 0 BGADHN c1nc(C2CC2)sc1CN1CC[C@H](C2CC2)C1 ZINC000536695880 323201128 /nfs/dbraw/zinc/20/11/28/323201128.db2.gz CQVAFRGOWAAVCM-LBPRGKRZSA-N 0 3 248.395 3.252 20 0 BGADHN CC[C@@H](C)CN(CC)Cc1cccc2c1OCO2 ZINC000536709382 323201662 /nfs/dbraw/zinc/20/16/62/323201662.db2.gz DRBUZOAUHAIZMU-GFCCVEGCSA-N 0 3 249.354 3.283 20 0 BGADHN CC[C@H](C)CN(CC)Cc1cccc2c1OCO2 ZINC000536709384 323201731 /nfs/dbraw/zinc/20/17/31/323201731.db2.gz DRBUZOAUHAIZMU-LBPRGKRZSA-N 0 3 249.354 3.283 20 0 BGADHN CCc1ccc(C2=CCN(CC)CC2)cc1 ZINC000536742939 323202875 /nfs/dbraw/zinc/20/28/75/323202875.db2.gz GNBGNIIRLBBHDG-UHFFFAOYSA-N 0 3 215.340 3.358 20 0 BGADHN COc1ccc(C2(N[C@H]3C=CCCC3)CC2)cc1 ZINC000537059358 387202650 /nfs/dbraw/zinc/20/26/50/387202650.db2.gz DNMLIGMERVMWHT-AWEZNQCLSA-N 0 3 243.350 3.383 20 0 BGADHN COc1ccc(C2(N[C@@H]3C=CCCC3)CC2)cc1 ZINC000537059359 323999777 /nfs/dbraw/zinc/99/97/77/323999777.db2.gz DNMLIGMERVMWHT-CQSZACIVSA-N 0 3 243.350 3.383 20 0 BGADHN COc1ccc(C2(NCC=C(C)C)CC2)cc1 ZINC000537059442 387203237 /nfs/dbraw/zinc/20/32/37/387203237.db2.gz IXUSQDYPUMVGHD-UHFFFAOYSA-N 0 3 231.339 3.240 20 0 BGADHN C[C@@H](CNC1(c2ccccc2)CC1)C(F)(F)F ZINC000537059714 323999815 /nfs/dbraw/zinc/99/98/15/323999815.db2.gz VMUVLTYISSYQTG-JTQLQIEISA-N 0 3 243.272 3.464 20 0 BGADHN C[C@H](CNC1(c2ccccc2)CC1)C(F)(F)F ZINC000537059715 323999826 /nfs/dbraw/zinc/99/98/26/323999826.db2.gz VMUVLTYISSYQTG-SNVBAGLBSA-N 0 3 243.272 3.464 20 0 BGADHN CCC[C@@H]1CCCC[C@H]1N[C@@H](C)c1nccn1C ZINC000537116395 324010290 /nfs/dbraw/zinc/01/02/90/324010290.db2.gz ZKRULOWGIZTXMJ-BFHYXJOUSA-N 0 3 249.402 3.430 20 0 BGADHN CCC[C@@H]1CCCC[C@@H]1N[C@H](C)c1nccn1C ZINC000537116396 324010258 /nfs/dbraw/zinc/01/02/58/324010258.db2.gz ZKRULOWGIZTXMJ-MCIONIFRSA-N 0 3 249.402 3.430 20 0 BGADHN CCC[C@@H]1CCCC[C@H]1N[C@H](C)c1nccn1C ZINC000537116397 324010459 /nfs/dbraw/zinc/01/04/59/324010459.db2.gz ZKRULOWGIZTXMJ-MGPQQGTHSA-N 0 3 249.402 3.430 20 0 BGADHN CCC[C@@H]1CCCC[C@@H]1N[C@@H](C)c1nccn1C ZINC000537116398 324010030 /nfs/dbraw/zinc/01/00/30/324010030.db2.gz ZKRULOWGIZTXMJ-MJBXVCDLSA-N 0 3 249.402 3.430 20 0 BGADHN CCC[C@@H](C)CN(C)CCC(F)(F)F ZINC000537163115 360167344 /nfs/dbraw/zinc/16/73/44/360167344.db2.gz ZINYSEZXWCBUDG-SECBINFHSA-N 0 3 211.271 3.307 20 0 BGADHN CCC[C@H](C)CN(C)CCC(F)(F)F ZINC000537163116 360167522 /nfs/dbraw/zinc/16/75/22/360167522.db2.gz ZINYSEZXWCBUDG-VIFPVBQESA-N 0 3 211.271 3.307 20 0 BGADHN COc1ccccc1/C=C\CN1CC[C@@H]1C(C)C ZINC000537198647 324034080 /nfs/dbraw/zinc/03/40/80/324034080.db2.gz ZDHXPANDMJJDEN-DDJMYBDESA-N 0 3 245.366 3.439 20 0 BGADHN COc1ccccc1/C=C\CN1CC[C@H]1C(C)C ZINC000537198648 324033729 /nfs/dbraw/zinc/03/37/29/324033729.db2.gz ZDHXPANDMJJDEN-LYASGUKUSA-N 0 3 245.366 3.439 20 0 BGADHN COc1ccccc1/C=C/CN1CC[C@@H]1C(C)C ZINC000537198649 324033918 /nfs/dbraw/zinc/03/39/18/324033918.db2.gz ZDHXPANDMJJDEN-PMGBHYCQSA-N 0 3 245.366 3.439 20 0 BGADHN COc1ccccc1/C=C/CN1CC[C@H]1C(C)C ZINC000537198650 324033540 /nfs/dbraw/zinc/03/35/40/324033540.db2.gz ZDHXPANDMJJDEN-VFADXPBXSA-N 0 3 245.366 3.439 20 0 BGADHN Cc1ccc(CN2CC[C@H]2C(C)C)cc1F ZINC000537199185 324031256 /nfs/dbraw/zinc/03/12/56/324031256.db2.gz BIKOTQSEHJBSTA-AWEZNQCLSA-N 0 3 221.319 3.364 20 0 BGADHN Cc1ccc(CN2CC[C@@H]2C(C)C)cc1F ZINC000537199186 324031041 /nfs/dbraw/zinc/03/10/41/324031041.db2.gz BIKOTQSEHJBSTA-CQSZACIVSA-N 0 3 221.319 3.364 20 0 BGADHN Cc1cc(CN2CC[C@H]2C(C)C)ccc1F ZINC000537199503 324030778 /nfs/dbraw/zinc/03/07/78/324030778.db2.gz UQVRUQYYIQHNMT-AWEZNQCLSA-N 0 3 221.319 3.364 20 0 BGADHN Cc1cc(CN2CC[C@@H]2C(C)C)ccc1F ZINC000537199504 324030753 /nfs/dbraw/zinc/03/07/53/324030753.db2.gz UQVRUQYYIQHNMT-CQSZACIVSA-N 0 3 221.319 3.364 20 0 BGADHN CC(C)[C@H]1CCN1Cc1cnc(C2CC2)s1 ZINC000537200025 324031391 /nfs/dbraw/zinc/03/13/91/324031391.db2.gz ZFEZUZHPUNHDPH-GFCCVEGCSA-N 0 3 236.384 3.251 20 0 BGADHN CC(C)[C@@H]1CCN1Cc1cnc(C2CC2)s1 ZINC000537200026 324031155 /nfs/dbraw/zinc/03/11/55/324031155.db2.gz ZFEZUZHPUNHDPH-LBPRGKRZSA-N 0 3 236.384 3.251 20 0 BGADHN CCC1(C)CCC(NCc2cc(C)on2)CC1 ZINC000537275033 324061901 /nfs/dbraw/zinc/06/19/01/324061901.db2.gz GRPOOPBEVRPLBZ-UHFFFAOYSA-N 0 3 236.359 3.432 20 0 BGADHN CCc1ccc([C@@H](C)NCCOC(C)(C)C)o1 ZINC000537424649 324071299 /nfs/dbraw/zinc/07/12/99/324071299.db2.gz KWEIDCUWXXRRKF-LLVKDONJSA-N 0 3 239.359 3.308 20 0 BGADHN CCc1ccc([C@H](C)NCCOC(C)(C)C)o1 ZINC000537424650 324071341 /nfs/dbraw/zinc/07/13/41/324071341.db2.gz KWEIDCUWXXRRKF-NSHDSACASA-N 0 3 239.359 3.308 20 0 BGADHN CCc1ccc([C@@H](C)NC2(COC)CC2)cc1 ZINC000537448031 324072468 /nfs/dbraw/zinc/07/24/68/324072468.db2.gz BZCYJARWWGNCOY-GFCCVEGCSA-N 0 3 233.355 3.079 20 0 BGADHN CCc1ccc([C@H](C)NC2(COC)CC2)cc1 ZINC000537448032 324072603 /nfs/dbraw/zinc/07/26/03/324072603.db2.gz BZCYJARWWGNCOY-LBPRGKRZSA-N 0 3 233.355 3.079 20 0 BGADHN CC[C@H](NC1(COC)CC1)c1ccc(C)cc1 ZINC000537448111 324072393 /nfs/dbraw/zinc/07/23/93/324072393.db2.gz GTAKTMPVVVCWID-AWEZNQCLSA-N 0 3 233.355 3.215 20 0 BGADHN CC[C@@H](NC1(COC)CC1)c1ccc(C)cc1 ZINC000537448112 324072616 /nfs/dbraw/zinc/07/26/16/324072616.db2.gz GTAKTMPVVVCWID-CQSZACIVSA-N 0 3 233.355 3.215 20 0 BGADHN COCC1(N[C@H](C)c2cccc(C)c2C)CC1 ZINC000537449578 324072540 /nfs/dbraw/zinc/07/25/40/324072540.db2.gz LXHYWCQTSAVJMB-CYBMUJFWSA-N 0 3 233.355 3.133 20 0 BGADHN COCC1(N[C@@H](C)c2cccc(C)c2C)CC1 ZINC000537449581 324072775 /nfs/dbraw/zinc/07/27/75/324072775.db2.gz LXHYWCQTSAVJMB-ZDUSSCGKSA-N 0 3 233.355 3.133 20 0 BGADHN COCC1(N[C@H](C)c2cc(C)ccc2C)CC1 ZINC000537451540 324072703 /nfs/dbraw/zinc/07/27/03/324072703.db2.gz ZPINKEOWXFIGJK-CYBMUJFWSA-N 0 3 233.355 3.133 20 0 BGADHN COCC1(N[C@@H](C)c2cc(C)ccc2C)CC1 ZINC000537451541 324072561 /nfs/dbraw/zinc/07/25/61/324072561.db2.gz ZPINKEOWXFIGJK-ZDUSSCGKSA-N 0 3 233.355 3.133 20 0 BGADHN Cc1cc(C)c(CN2C[C@@H](C)O[C@@H](C)C2)c(C)c1 ZINC000537466484 324074164 /nfs/dbraw/zinc/07/41/64/324074164.db2.gz DBUCRKAXWGHYLD-GASCZTMLSA-N 0 3 247.382 3.221 20 0 BGADHN COc1cc2c(cc1F)CN(C1CCCC1)CC2 ZINC000537533888 324077569 /nfs/dbraw/zinc/07/75/69/324077569.db2.gz UCGFUTJUNIUEMC-UHFFFAOYSA-N 0 3 249.329 3.135 20 0 BGADHN CC(C)(C)CN1CC=C(C(F)(F)F)CC1 ZINC000537615254 324085919 /nfs/dbraw/zinc/08/59/19/324085919.db2.gz PHNGTTQVNOJLDH-UHFFFAOYSA-N 0 3 221.266 3.227 20 0 BGADHN COc1c(C)cc(CN2CC=C(C)CC2)cc1C ZINC000537622828 324088381 /nfs/dbraw/zinc/08/83/81/324088381.db2.gz MBEJTLOIJKFINS-UHFFFAOYSA-N 0 3 245.366 3.464 20 0 BGADHN CSCCN(C)Cc1ccnc2ccccc12 ZINC000537623386 324088265 /nfs/dbraw/zinc/08/82/65/324088265.db2.gz BIIPRJWEHRUQTI-UHFFFAOYSA-N 0 3 246.379 3.030 20 0 BGADHN Cc1ccc(C)c(CN2CCOC(C)(C)[C@@H]2C)c1 ZINC000537624756 324088196 /nfs/dbraw/zinc/08/81/96/324088196.db2.gz OWESTFYJDDXKPC-AWEZNQCLSA-N 0 3 247.382 3.303 20 0 BGADHN Cc1ccc(C)c(CN2CCOC(C)(C)[C@H]2C)c1 ZINC000537624757 324089100 /nfs/dbraw/zinc/08/91/00/324089100.db2.gz OWESTFYJDDXKPC-CQSZACIVSA-N 0 3 247.382 3.303 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CN2C[C@@H]3[C@H](C2)C3(C)C)o1 ZINC000537631878 324090258 /nfs/dbraw/zinc/09/02/58/324090258.db2.gz BWXAVZMOGVIMNZ-CABNGKKXSA-N 0 3 245.366 3.491 20 0 BGADHN C[C@@H]1C[C@H]1c1ccc(CN2C[C@@H]3[C@H](C2)C3(C)C)o1 ZINC000537631881 324090377 /nfs/dbraw/zinc/09/03/77/324090377.db2.gz BWXAVZMOGVIMNZ-ZRJCITRHSA-N 0 3 245.366 3.491 20 0 BGADHN Cc1ccc(CN2CCC(C(C)C)CC2)o1 ZINC000537631979 324090324 /nfs/dbraw/zinc/09/03/24/324090324.db2.gz IJQMHGZOCKBBEB-UHFFFAOYSA-N 0 3 221.344 3.456 20 0 BGADHN Cc1cc(CN2C[C@@H]3[C@H](C2)C3(C)C)ccc1F ZINC000537632678 324090073 /nfs/dbraw/zinc/09/00/73/324090073.db2.gz JZYBRQOKERMHPU-BETUJISGSA-N 0 3 233.330 3.222 20 0 BGADHN CCOc1ccccc1CN1C[C@@H]2[C@H](C1)C2(C)C ZINC000537632900 324090366 /nfs/dbraw/zinc/09/03/66/324090366.db2.gz YFBKPPZJTRLUGB-OKILXGFUSA-N 0 3 245.366 3.173 20 0 BGADHN Cc1ccc(F)c(CN2CCC(C)(C)C2)c1 ZINC000537633157 324089889 /nfs/dbraw/zinc/08/98/89/324089889.db2.gz CZIPODIAARYPEC-UHFFFAOYSA-N 0 3 221.319 3.366 20 0 BGADHN CC1(C)CCN1Cc1cnc(-c2ccccc2)[nH]1 ZINC000537633396 324090340 /nfs/dbraw/zinc/09/03/40/324090340.db2.gz OCBNXYWEQLCSRA-UHFFFAOYSA-N 0 3 241.338 3.061 20 0 BGADHN Cc1ccc(CN2CCC(C)(C)C2)cc1F ZINC000537633528 324091586 /nfs/dbraw/zinc/09/15/86/324091586.db2.gz RQDTWPBVNYRWMB-UHFFFAOYSA-N 0 3 221.319 3.366 20 0 BGADHN CC1(C)CCN1Cc1cc(F)cc2cccnc21 ZINC000537633904 324091545 /nfs/dbraw/zinc/09/15/45/324091545.db2.gz QXVZQSJNKHHKCX-UHFFFAOYSA-N 0 3 244.313 3.358 20 0 BGADHN CC1(C)[C@@H]2CN(Cc3ccc(Cl)s3)C[C@@H]21 ZINC000537633916 324091254 /nfs/dbraw/zinc/09/12/54/324091254.db2.gz PLOMTEPUNHTFRB-AOOOYVTPSA-N 0 3 241.787 3.489 20 0 BGADHN COc1ccccc1/C=C/CN1CCC(C)(C)C1 ZINC000537634128 324091466 /nfs/dbraw/zinc/09/14/66/324091466.db2.gz YWMIMJXVQRNXMB-SOFGYWHQSA-N 0 3 245.366 3.440 20 0 BGADHN COc1ccccc1/C=C\CN1CCC(C)(C)C1 ZINC000537634130 324091529 /nfs/dbraw/zinc/09/15/29/324091529.db2.gz YWMIMJXVQRNXMB-VURMDHGXSA-N 0 3 245.366 3.440 20 0 BGADHN Cc1ccc([C@@H]2CSCCN2CC2CC2)cc1 ZINC000537634228 324091099 /nfs/dbraw/zinc/09/10/99/324091099.db2.gz SWZIRZOKASNZBU-HNNXBMFYSA-N 0 3 247.407 3.495 20 0 BGADHN Cc1ccc([C@H]2CSCCN2CC2CC2)cc1 ZINC000537634231 324091173 /nfs/dbraw/zinc/09/11/73/324091173.db2.gz SWZIRZOKASNZBU-OAHLLOKOSA-N 0 3 247.407 3.495 20 0 BGADHN Cc1ccc(CN2C[C@@H]3[C@H](C2)C3(C)C)cc1F ZINC000537634949 324091358 /nfs/dbraw/zinc/09/13/58/324091358.db2.gz JFHVBJOXNLODRZ-BETUJISGSA-N 0 3 233.330 3.222 20 0 BGADHN Cc1cc(CN2CCC(C)(C)C2)ccc1F ZINC000537635025 324091739 /nfs/dbraw/zinc/09/17/39/324091739.db2.gz OJPPEFVWOBBUSM-UHFFFAOYSA-N 0 3 221.319 3.366 20 0 BGADHN CC1(C)CCN1Cc1ccc(OC(F)F)cc1 ZINC000537635480 324091069 /nfs/dbraw/zinc/09/10/69/324091069.db2.gz XAKXWLMLCVUUCU-UHFFFAOYSA-N 0 3 241.281 3.272 20 0 BGADHN CC(C)(C)c1n[nH]cc1CN1CCC(C)(C)CC1 ZINC000537636845 324091323 /nfs/dbraw/zinc/09/13/23/324091323.db2.gz BVFJUSALZCMHDF-UHFFFAOYSA-N 0 3 249.402 3.329 20 0 BGADHN CC[C@@]1(C)CCN(Cc2c[nH]nc2C(C)(C)C)C1 ZINC000537651063 324093644 /nfs/dbraw/zinc/09/36/44/324093644.db2.gz UJNOAWZXBSQQGM-HNNXBMFYSA-N 0 3 249.402 3.329 20 0 BGADHN CC[C@]1(C)CCN(Cc2c[nH]nc2C(C)(C)C)C1 ZINC000537651064 324093662 /nfs/dbraw/zinc/09/36/62/324093662.db2.gz UJNOAWZXBSQQGM-OAHLLOKOSA-N 0 3 249.402 3.329 20 0 BGADHN CC(C)[C@H]1CCN(Cc2cnn(C(C)(C)C)c2)C1 ZINC000537689857 324096632 /nfs/dbraw/zinc/09/66/32/324096632.db2.gz WJLZSIZWAZYGOP-AWEZNQCLSA-N 0 3 249.402 3.116 20 0 BGADHN CC(C)[C@@H]1CCN(Cc2cnn(C(C)(C)C)c2)C1 ZINC000537689861 324096794 /nfs/dbraw/zinc/09/67/94/324096794.db2.gz WJLZSIZWAZYGOP-CQSZACIVSA-N 0 3 249.402 3.116 20 0 BGADHN CC[C@@H]1CCN(Cc2ccc(C)c(F)c2)C1 ZINC000537711657 324098919 /nfs/dbraw/zinc/09/89/19/324098919.db2.gz XLABTULOSKAXRP-GFCCVEGCSA-N 0 3 221.319 3.366 20 0 BGADHN CC[C@H]1CCN(Cc2ccc(C)c(F)c2)C1 ZINC000537711660 324098392 /nfs/dbraw/zinc/09/83/92/324098392.db2.gz XLABTULOSKAXRP-LBPRGKRZSA-N 0 3 221.319 3.366 20 0 BGADHN COC(C)(C)CN(C)Cc1ccc(Cl)s1 ZINC000537724812 324100502 /nfs/dbraw/zinc/10/05/02/324100502.db2.gz HKUCVOYFZLYUNQ-UHFFFAOYSA-N 0 3 247.791 3.258 20 0 BGADHN CCn1cc(CN(C)C[C@H]2CCC[C@H](C)C2)cn1 ZINC000537850862 324107854 /nfs/dbraw/zinc/10/78/54/324107854.db2.gz DNKJTAAMPNDUAV-KBPBESRZSA-N 0 3 249.402 3.161 20 0 BGADHN CCn1cc(CN(C)C[C@H]2CCC[C@@H](C)C2)cn1 ZINC000537850867 324107417 /nfs/dbraw/zinc/10/74/17/324107417.db2.gz DNKJTAAMPNDUAV-KGLIPLIRSA-N 0 3 249.402 3.161 20 0 BGADHN CCn1cc(CN(C)C[C@@H]2CCC[C@H](C)C2)cn1 ZINC000537850868 324107912 /nfs/dbraw/zinc/10/79/12/324107912.db2.gz DNKJTAAMPNDUAV-UONOGXRCSA-N 0 3 249.402 3.161 20 0 BGADHN CCn1cc(CN(C)C[C@@H]2CCC[C@@H](C)C2)cn1 ZINC000537850870 324107431 /nfs/dbraw/zinc/10/74/31/324107431.db2.gz DNKJTAAMPNDUAV-ZIAGYGMSSA-N 0 3 249.402 3.161 20 0 BGADHN CC[C@@H](C)CNCc1nc(C)c2ccccc2n1 ZINC000537867147 324106292 /nfs/dbraw/zinc/10/62/92/324106292.db2.gz GRBPNRQHQHAUNA-LLVKDONJSA-N 0 3 243.354 3.074 20 0 BGADHN CC[C@H](C)CNCc1nc(C)c2ccccc2n1 ZINC000537867155 324106330 /nfs/dbraw/zinc/10/63/30/324106330.db2.gz GRBPNRQHQHAUNA-NSHDSACASA-N 0 3 243.354 3.074 20 0 BGADHN Cc1cccnc1CN(C)[C@H](C)C(C)(C)C ZINC000537868359 324106215 /nfs/dbraw/zinc/10/62/15/324106215.db2.gz OICASXFORNRVJI-GFCCVEGCSA-N 0 3 220.360 3.256 20 0 BGADHN Cc1cccnc1CN(C)[C@@H](C)C(C)(C)C ZINC000537868365 324106719 /nfs/dbraw/zinc/10/67/19/324106719.db2.gz OICASXFORNRVJI-LBPRGKRZSA-N 0 3 220.360 3.256 20 0 BGADHN Cc1ccc(CCN[C@H](C)c2cnccc2C)o1 ZINC000537884811 324107735 /nfs/dbraw/zinc/10/77/35/324107735.db2.gz NCLGUUFOBHNAAK-CYBMUJFWSA-N 0 3 244.338 3.185 20 0 BGADHN Cc1ccc(CCN[C@@H](C)c2cnccc2C)o1 ZINC000537884812 324107268 /nfs/dbraw/zinc/10/72/68/324107268.db2.gz NCLGUUFOBHNAAK-ZDUSSCGKSA-N 0 3 244.338 3.185 20 0 BGADHN C[C@@H](NCCOc1ccc(F)cc1)c1ccoc1 ZINC000537919221 324454884 /nfs/dbraw/zinc/45/48/84/324454884.db2.gz MWGSWXQEJCUJPI-LLVKDONJSA-N 0 3 249.285 3.148 20 0 BGADHN C[C@H](NCCOc1ccc(F)cc1)c1ccoc1 ZINC000537919222 324454790 /nfs/dbraw/zinc/45/47/90/324454790.db2.gz MWGSWXQEJCUJPI-NSHDSACASA-N 0 3 249.285 3.148 20 0 BGADHN C[C@H](N[C@H]1CCOC2(CCC2)C1)c1ccoc1 ZINC000537961679 388655964 /nfs/dbraw/zinc/65/59/64/388655964.db2.gz SYPAZNDVMSDNSV-AAEUAGOBSA-N 0 3 235.327 3.032 20 0 BGADHN C[C@@H](N[C@@H]1CCOC2(CCC2)C1)c1ccoc1 ZINC000537961680 388656356 /nfs/dbraw/zinc/65/63/56/388656356.db2.gz SYPAZNDVMSDNSV-DGCLKSJQSA-N 0 3 235.327 3.032 20 0 BGADHN C[C@H](N[C@@H]1CCOC2(CCC2)C1)c1ccoc1 ZINC000537961681 388656379 /nfs/dbraw/zinc/65/63/79/388656379.db2.gz SYPAZNDVMSDNSV-WCQYABFASA-N 0 3 235.327 3.032 20 0 BGADHN C[C@@H](N[C@H]1CCOC2(CCC2)C1)c1ccoc1 ZINC000537961682 388656071 /nfs/dbraw/zinc/65/60/71/388656071.db2.gz SYPAZNDVMSDNSV-YPMHNXCESA-N 0 3 235.327 3.032 20 0 BGADHN Cc1ccc2c(c1C)OC[C@H]2N[C@H](C)C1CC1 ZINC000537975662 388656834 /nfs/dbraw/zinc/65/68/34/388656834.db2.gz XSKXKTXUUIFQDH-BXUZGUMPSA-N 0 3 231.339 3.125 20 0 BGADHN Cc1ccc2c(c1C)OC[C@@H]2N[C@@H](C)C1CC1 ZINC000537975663 324602124 /nfs/dbraw/zinc/60/21/24/324602124.db2.gz XSKXKTXUUIFQDH-FZMZJTMJSA-N 0 3 231.339 3.125 20 0 BGADHN Cc1ccc2c(c1C)OC[C@@H]2N[C@H](C)C1CC1 ZINC000537975664 388657137 /nfs/dbraw/zinc/65/71/37/388657137.db2.gz XSKXKTXUUIFQDH-RISCZKNCSA-N 0 3 231.339 3.125 20 0 BGADHN Cc1ccc2c(c1C)OC[C@H]2N[C@@H](C)C1CC1 ZINC000537975665 388657380 /nfs/dbraw/zinc/65/73/80/388657380.db2.gz XSKXKTXUUIFQDH-SMDDNHRTSA-N 0 3 231.339 3.125 20 0 BGADHN Cc1cc(F)ccc1CN1CC[C@H]1C(C)C ZINC000538305034 388683554 /nfs/dbraw/zinc/68/35/54/388683554.db2.gz OFQXKQUJZMXMIM-AWEZNQCLSA-N 0 3 221.319 3.364 20 0 BGADHN Cc1cc(F)ccc1CN1CC[C@@H]1C(C)C ZINC000538305035 388683494 /nfs/dbraw/zinc/68/34/94/388683494.db2.gz OFQXKQUJZMXMIM-CQSZACIVSA-N 0 3 221.319 3.364 20 0 BGADHN CC[C@@H](C)NCc1cc2ccccc2nc1OC ZINC000538306451 388683053 /nfs/dbraw/zinc/68/30/53/388683053.db2.gz OEXDYJNXMNBFQE-LLVKDONJSA-N 0 3 244.338 3.132 20 0 BGADHN CC[C@H](C)NCc1cc2ccccc2nc1OC ZINC000538306457 388683300 /nfs/dbraw/zinc/68/33/00/388683300.db2.gz OEXDYJNXMNBFQE-NSHDSACASA-N 0 3 244.338 3.132 20 0 BGADHN C[C@H]1C[C@@H]1c1ccc(CNC2(C3CC3)CC2)o1 ZINC000538413034 388687665 /nfs/dbraw/zinc/68/76/65/388687665.db2.gz GRAGXCAESBDFNS-GWCFXTLKSA-N 0 3 231.339 3.435 20 0 BGADHN C[C@H]1C[C@H]1c1ccc(CNC2(C3CC3)CC2)o1 ZINC000538413043 388687019 /nfs/dbraw/zinc/68/70/19/388687019.db2.gz GRAGXCAESBDFNS-GXFFZTMASA-N 0 3 231.339 3.435 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CNC2(C3CC3)CC2)o1 ZINC000538413044 388687606 /nfs/dbraw/zinc/68/76/06/388687606.db2.gz GRAGXCAESBDFNS-MFKMUULPSA-N 0 3 231.339 3.435 20 0 BGADHN C[C@@H]1C[C@H]1c1ccc(CNC2(C3CC3)CC2)o1 ZINC000538413047 388687173 /nfs/dbraw/zinc/68/71/73/388687173.db2.gz GRAGXCAESBDFNS-ZWNOBZJWSA-N 0 3 231.339 3.435 20 0 BGADHN CCCCCN1CCO[C@@H](Cc2ccccc2)C1 ZINC000538476850 388692980 /nfs/dbraw/zinc/69/29/80/388692980.db2.gz QMVMGFLVXRGQKZ-INIZCTEOSA-N 0 3 247.382 3.120 20 0 BGADHN CCCCCN1CCO[C@H](Cc2ccccc2)C1 ZINC000538476851 388692382 /nfs/dbraw/zinc/69/23/82/388692382.db2.gz QMVMGFLVXRGQKZ-MRXNPFEDSA-N 0 3 247.382 3.120 20 0 BGADHN COCC1(N[C@H](C)c2ccc(C)c(C)c2)CC1 ZINC000538549415 388701417 /nfs/dbraw/zinc/70/14/17/388701417.db2.gz CIJGLUBDJZHOPW-CYBMUJFWSA-N 0 3 233.355 3.133 20 0 BGADHN COCC1(N[C@@H](C)c2ccc(C)c(C)c2)CC1 ZINC000538549416 388701536 /nfs/dbraw/zinc/70/15/36/388701536.db2.gz CIJGLUBDJZHOPW-ZDUSSCGKSA-N 0 3 233.355 3.133 20 0 BGADHN COCC1(N[C@@H]2C[C@H](C)c3c2cccc3C)CC1 ZINC000538550603 324714909 /nfs/dbraw/zinc/71/49/09/324714909.db2.gz CXGWIJDKVSKZPB-GXTWGEPZSA-N 0 3 245.366 3.312 20 0 BGADHN COCC1(N[C@H]2C[C@H](C)c3c2cccc3C)CC1 ZINC000538550611 388701541 /nfs/dbraw/zinc/70/15/41/388701541.db2.gz CXGWIJDKVSKZPB-JSGCOSHPSA-N 0 3 245.366 3.312 20 0 BGADHN COCC1(N[C@H]2C[C@@H](C)c3c2cccc3C)CC1 ZINC000538550612 324714609 /nfs/dbraw/zinc/71/46/09/324714609.db2.gz CXGWIJDKVSKZPB-OCCSQVGLSA-N 0 3 245.366 3.312 20 0 BGADHN COCC1(N[C@@H]2C[C@@H](C)c3c2cccc3C)CC1 ZINC000538550613 324715186 /nfs/dbraw/zinc/71/51/86/324715186.db2.gz CXGWIJDKVSKZPB-TZMCWYRMSA-N 0 3 245.366 3.312 20 0 BGADHN CCc1ccc([C@H](CC)NC2(COC)CC2)cc1 ZINC000538552633 388701763 /nfs/dbraw/zinc/70/17/63/388701763.db2.gz ULQYOOQPXQNMKE-HNNXBMFYSA-N 0 3 247.382 3.469 20 0 BGADHN CCc1ccc([C@@H](CC)NC2(COC)CC2)cc1 ZINC000538552635 324715950 /nfs/dbraw/zinc/71/59/50/324715950.db2.gz ULQYOOQPXQNMKE-OAHLLOKOSA-N 0 3 247.382 3.469 20 0 BGADHN COCC1(N[C@H](C)c2cc3ccccc3o2)CC1 ZINC000538552688 324715487 /nfs/dbraw/zinc/71/54/87/324715487.db2.gz XLSSIXYRIZTSJK-LLVKDONJSA-N 0 3 245.322 3.262 20 0 BGADHN COCC1(N[C@@H](C)c2cc3ccccc3o2)CC1 ZINC000538552689 324715991 /nfs/dbraw/zinc/71/59/91/324715991.db2.gz XLSSIXYRIZTSJK-NSHDSACASA-N 0 3 245.322 3.262 20 0 BGADHN COCC1(N[C@H](C)c2ccc(C)cc2C)CC1 ZINC000538552788 388701787 /nfs/dbraw/zinc/70/17/87/388701787.db2.gz RDHZICTXDHZNDB-CYBMUJFWSA-N 0 3 233.355 3.133 20 0 BGADHN COCC1(N[C@@H](C)c2ccc(C)cc2C)CC1 ZINC000538552789 324715769 /nfs/dbraw/zinc/71/57/69/324715769.db2.gz RDHZICTXDHZNDB-ZDUSSCGKSA-N 0 3 233.355 3.133 20 0 BGADHN COCC1(N[C@H]2CCCc3ccc(C)cc32)CC1 ZINC000538552906 388701924 /nfs/dbraw/zinc/70/19/24/388701924.db2.gz UDFZCCFJQZKJOR-HNNXBMFYSA-N 0 3 245.366 3.141 20 0 BGADHN COCC1(N[C@@H]2CCCc3ccc(C)cc32)CC1 ZINC000538552907 324716144 /nfs/dbraw/zinc/71/61/44/324716144.db2.gz UDFZCCFJQZKJOR-OAHLLOKOSA-N 0 3 245.366 3.141 20 0 BGADHN Cc1ccc(CCNCc2cc(F)ccc2C)o1 ZINC000538695639 388705713 /nfs/dbraw/zinc/70/57/13/388705713.db2.gz SCUOTOYKAMPXMN-UHFFFAOYSA-N 0 3 247.313 3.368 20 0 BGADHN Cc1ccc(F)cc1CN1C2CCC1CC2 ZINC000538715290 324732980 /nfs/dbraw/zinc/73/29/80/324732980.db2.gz OIXWONDAHJWOMY-UHFFFAOYSA-N 0 3 219.303 3.261 20 0 BGADHN CC(C)c1ncc(CN2C[C@H](C)C[C@H]2C)s1 ZINC000538717373 388710252 /nfs/dbraw/zinc/71/02/52/388710252.db2.gz XBQSRLJMOQEYSD-GHMZBOCLSA-N 0 3 238.400 3.497 20 0 BGADHN CC(C)c1ncc(CN2C[C@H](C)C[C@@H]2C)s1 ZINC000538717374 388711107 /nfs/dbraw/zinc/71/11/07/388711107.db2.gz XBQSRLJMOQEYSD-MNOVXSKESA-N 0 3 238.400 3.497 20 0 BGADHN CC(C)c1ncc(CN2C[C@@H](C)C[C@@H]2C)s1 ZINC000538717375 388711012 /nfs/dbraw/zinc/71/10/12/388711012.db2.gz XBQSRLJMOQEYSD-QWRGUYRKSA-N 0 3 238.400 3.497 20 0 BGADHN CC(C)c1ncc(CN2C[C@@H](C)C[C@H]2C)s1 ZINC000538717376 388711050 /nfs/dbraw/zinc/71/10/50/388711050.db2.gz XBQSRLJMOQEYSD-WDEREUQCSA-N 0 3 238.400 3.497 20 0 BGADHN Cc1ccc(F)c(CN2C[C@H](C)C[C@@H]2C)c1 ZINC000538717968 388081084 /nfs/dbraw/zinc/08/10/84/388081084.db2.gz LTWFDAMGTGWAPB-NEPJUHHUSA-N 0 3 221.319 3.364 20 0 BGADHN Cc1ccc(F)c(CN2C[C@@H](C)C[C@H]2C)c1 ZINC000538717969 388081593 /nfs/dbraw/zinc/08/15/93/388081593.db2.gz LTWFDAMGTGWAPB-NWDGAFQWSA-N 0 3 221.319 3.364 20 0 BGADHN Cc1ccc(F)c(CN2C[C@@H](C)C[C@@H]2C)c1 ZINC000538717970 388081187 /nfs/dbraw/zinc/08/11/87/388081187.db2.gz LTWFDAMGTGWAPB-RYUDHWBXSA-N 0 3 221.319 3.364 20 0 BGADHN Cc1ccc(F)c(CN2C[C@H](C)C[C@H]2C)c1 ZINC000538717971 388081541 /nfs/dbraw/zinc/08/15/41/388081541.db2.gz LTWFDAMGTGWAPB-VXGBXAGGSA-N 0 3 221.319 3.364 20 0 BGADHN Cc1cccc(CN2CCOC(C)(C)[C@@H]2C)c1C ZINC000538725750 388712565 /nfs/dbraw/zinc/71/25/65/388712565.db2.gz UKTWOCKJRXWAIL-AWEZNQCLSA-N 0 3 247.382 3.303 20 0 BGADHN Cc1cccc(CN2CCOC(C)(C)[C@H]2C)c1C ZINC000538725751 388712362 /nfs/dbraw/zinc/71/23/62/388712362.db2.gz UKTWOCKJRXWAIL-CQSZACIVSA-N 0 3 247.382 3.303 20 0 BGADHN C[C@@H]1CCN(Cc2cc(F)cc(F)c2)C[C@H]1C ZINC000538725825 388712504 /nfs/dbraw/zinc/71/25/04/388712504.db2.gz ZNVQDWMXSYOWEZ-GHMZBOCLSA-N 0 3 239.309 3.443 20 0 BGADHN C[C@@H]1CCN(Cc2cc(F)cc(F)c2)C[C@@H]1C ZINC000538725826 388711546 /nfs/dbraw/zinc/71/15/46/388711546.db2.gz ZNVQDWMXSYOWEZ-MNOVXSKESA-N 0 3 239.309 3.443 20 0 BGADHN C[C@H]1CN(Cc2cc(F)cc(F)c2)CC[C@@H]1C ZINC000538725827 388712307 /nfs/dbraw/zinc/71/23/07/388712307.db2.gz ZNVQDWMXSYOWEZ-QWRGUYRKSA-N 0 3 239.309 3.443 20 0 BGADHN C[C@H]1CCN(Cc2cc(F)cc(F)c2)C[C@H]1C ZINC000538725828 388711491 /nfs/dbraw/zinc/71/14/91/388711491.db2.gz ZNVQDWMXSYOWEZ-WDEREUQCSA-N 0 3 239.309 3.443 20 0 BGADHN Cc1ccc(CN2CCOC(C)(C)[C@@H]2C)c(C)c1 ZINC000538727388 388713565 /nfs/dbraw/zinc/71/35/65/388713565.db2.gz NMVNNKFHOPFJSY-AWEZNQCLSA-N 0 3 247.382 3.303 20 0 BGADHN Cc1ccc(CN2CCOC(C)(C)[C@H]2C)c(C)c1 ZINC000538727389 388713144 /nfs/dbraw/zinc/71/31/44/388713144.db2.gz NMVNNKFHOPFJSY-CQSZACIVSA-N 0 3 247.382 3.303 20 0 BGADHN C[C@H]1OCCN(CC2CCCCCC2)[C@@H]1C ZINC000538727740 388713118 /nfs/dbraw/zinc/71/31/18/388713118.db2.gz SVRCZODTOOSONA-CHWSQXEVSA-N 0 3 225.376 3.066 20 0 BGADHN C[C@@H]1[C@H](C)OCCN1CC1CCCCCC1 ZINC000538727741 388713578 /nfs/dbraw/zinc/71/35/78/388713578.db2.gz SVRCZODTOOSONA-OLZOCXBDSA-N 0 3 225.376 3.066 20 0 BGADHN C[C@H]1OCCN(CC2CCCCCC2)[C@H]1C ZINC000538727742 388713201 /nfs/dbraw/zinc/71/32/01/388713201.db2.gz SVRCZODTOOSONA-QWHCGFSZSA-N 0 3 225.376 3.066 20 0 BGADHN C[C@@H]1OCCN(CC2CCCCCC2)[C@H]1C ZINC000538727743 388713286 /nfs/dbraw/zinc/71/32/86/388713286.db2.gz SVRCZODTOOSONA-STQMWFEESA-N 0 3 225.376 3.066 20 0 BGADHN CC[C@@H]1C[C@H](C)CN1Cc1cnn(C(C)(C)C)c1 ZINC000538728235 388713091 /nfs/dbraw/zinc/71/30/91/388713091.db2.gz HITLTLOWYNOYCM-GXTWGEPZSA-N 0 3 249.402 3.259 20 0 BGADHN CC[C@H]1C[C@H](C)CN1Cc1cnn(C(C)(C)C)c1 ZINC000538728236 388713971 /nfs/dbraw/zinc/71/39/71/388713971.db2.gz HITLTLOWYNOYCM-JSGCOSHPSA-N 0 3 249.402 3.259 20 0 BGADHN CC[C@H]1C[C@@H](C)CN1Cc1cnn(C(C)(C)C)c1 ZINC000538728237 388713403 /nfs/dbraw/zinc/71/34/03/388713403.db2.gz HITLTLOWYNOYCM-OCCSQVGLSA-N 0 3 249.402 3.259 20 0 BGADHN CC[C@@H]1C[C@@H](C)CN1Cc1cnn(C(C)(C)C)c1 ZINC000538728238 388713178 /nfs/dbraw/zinc/71/31/78/388713178.db2.gz HITLTLOWYNOYCM-TZMCWYRMSA-N 0 3 249.402 3.259 20 0 BGADHN CCc1ccc(CN(C)CCSC)s1 ZINC000538728484 388713337 /nfs/dbraw/zinc/71/33/37/388713337.db2.gz YZVOMDSCNKKICY-UHFFFAOYSA-N 0 3 229.414 3.105 20 0 BGADHN Fc1ccc(/C=C/CN2CCC23CCC3)cc1 ZINC000538735261 388715009 /nfs/dbraw/zinc/71/50/09/388715009.db2.gz LIIXRLLZBBXTOR-HNQUOIGGSA-N 0 3 231.314 3.467 20 0 BGADHN Fc1ccc(/C=C\CN2CCC23CCC3)cc1 ZINC000538735262 388715015 /nfs/dbraw/zinc/71/50/15/388715015.db2.gz LIIXRLLZBBXTOR-IWQZZHSRSA-N 0 3 231.314 3.467 20 0 BGADHN CC1(C)CCN1Cc1cccc2c1OC(C)(C)C2 ZINC000538735573 388714325 /nfs/dbraw/zinc/71/43/25/388714325.db2.gz KFVZHZAUZPSSMF-UHFFFAOYSA-N 0 3 245.366 3.384 20 0 BGADHN COc1c(C)cc(CN2CCC2(C)C)cc1C ZINC000538735750 388714986 /nfs/dbraw/zinc/71/49/86/388714986.db2.gz ZKYTWRFRUKQQAV-UHFFFAOYSA-N 0 3 233.355 3.296 20 0 BGADHN CC1(C)CCN1C/C=C/c1ccccc1 ZINC000538737439 388716183 /nfs/dbraw/zinc/71/61/83/388716183.db2.gz DYBZESJRDMBEJY-RMKNXTFCSA-N 0 3 201.313 3.184 20 0 BGADHN CC1(C)CCN1C/C=C\c1ccccc1 ZINC000538737440 388716121 /nfs/dbraw/zinc/71/61/21/388716121.db2.gz DYBZESJRDMBEJY-TWGQIWQCSA-N 0 3 201.313 3.184 20 0 BGADHN CSc1ccc(CN2CCC2(C)C)cc1 ZINC000538737669 388716414 /nfs/dbraw/zinc/71/64/14/388716414.db2.gz VAXGOARIGAUSGF-UHFFFAOYSA-N 0 3 221.369 3.393 20 0 BGADHN Cc1nn(C(C)(C)C)c(C)c1CN1CCC1(C)C ZINC000538738055 388716440 /nfs/dbraw/zinc/71/64/40/388716440.db2.gz VFZDXNOWGVEDNC-UHFFFAOYSA-N 0 3 249.402 3.239 20 0 BGADHN Cc1ccc(F)c(CN2C[C@@H]3[C@H](C2)C3(C)C)c1 ZINC000538738197 388715565 /nfs/dbraw/zinc/71/55/65/388715565.db2.gz FGKBURLONIJRAH-BETUJISGSA-N 0 3 233.330 3.222 20 0 BGADHN CC(C)(C)CN1CCc2ccc(F)cc2C1 ZINC000538738828 388716176 /nfs/dbraw/zinc/71/61/76/388716176.db2.gz LCDDNYNFLSHGPU-UHFFFAOYSA-N 0 3 221.319 3.230 20 0 BGADHN CCc1ccc(CN2CCSC[C@@H]2C)s1 ZINC000538740197 388716026 /nfs/dbraw/zinc/71/60/26/388716026.db2.gz SDZAYVKDCCJUFE-JTQLQIEISA-N 0 3 241.425 3.248 20 0 BGADHN CCc1ccc(CN2CCSC[C@H]2C)s1 ZINC000538740198 388715934 /nfs/dbraw/zinc/71/59/34/388715934.db2.gz SDZAYVKDCCJUFE-SNVBAGLBSA-N 0 3 241.425 3.248 20 0 BGADHN CCc1ccc(CN(C)CC(C)(C)OC)s1 ZINC000538828100 388730726 /nfs/dbraw/zinc/73/07/26/388730726.db2.gz KXWDYTAKMVVXDH-UHFFFAOYSA-N 0 3 241.400 3.167 20 0 BGADHN CCCC[C@@H](CC)CCNCc1ccn(C)n1 ZINC000538879070 388737979 /nfs/dbraw/zinc/73/79/79/388737979.db2.gz BZLARYZSNXXJRX-CYBMUJFWSA-N 0 3 237.391 3.116 20 0 BGADHN CCCC[C@H](CC)CCNCc1ccn(C)n1 ZINC000538879071 324805598 /nfs/dbraw/zinc/80/55/98/324805598.db2.gz BZLARYZSNXXJRX-ZDUSSCGKSA-N 0 3 237.391 3.116 20 0 BGADHN CC[C@@H](C)CNCc1cc(-c2ccccc2)no1 ZINC000538969714 388743496 /nfs/dbraw/zinc/74/34/96/388743496.db2.gz PHEADPDAWGVEMF-GFCCVEGCSA-N 0 3 244.338 3.477 20 0 BGADHN CC[C@H](C)CNCc1cc(-c2ccccc2)no1 ZINC000538969718 324817545 /nfs/dbraw/zinc/81/75/45/324817545.db2.gz PHEADPDAWGVEMF-LBPRGKRZSA-N 0 3 244.338 3.477 20 0 BGADHN C[C@@H](NCCCc1cccs1)c1ccccn1 ZINC000539057463 324822338 /nfs/dbraw/zinc/82/23/38/324822338.db2.gz GMOPHXMXLHZADH-GFCCVEGCSA-N 0 3 246.379 3.427 20 0 BGADHN C[C@H](NCCCc1cccs1)c1ccccn1 ZINC000539057464 388746168 /nfs/dbraw/zinc/74/61/68/388746168.db2.gz GMOPHXMXLHZADH-LBPRGKRZSA-N 0 3 246.379 3.427 20 0 BGADHN CCCCOCCNC1(c2ccccc2)CC1 ZINC000539260409 388751018 /nfs/dbraw/zinc/75/10/18/388751018.db2.gz ACPBOHIJUPYXAZ-UHFFFAOYSA-N 0 3 233.355 3.082 20 0 BGADHN COC[C@H](NCC=C(C)C)c1ccc(F)cc1 ZINC000539376794 388754619 /nfs/dbraw/zinc/75/46/19/388754619.db2.gz KMOLEWWQTFVIEE-AWEZNQCLSA-N 0 3 237.318 3.069 20 0 BGADHN COC[C@@H](NCC=C(C)C)c1ccc(F)cc1 ZINC000539376801 388755118 /nfs/dbraw/zinc/75/51/18/388755118.db2.gz KMOLEWWQTFVIEE-CQSZACIVSA-N 0 3 237.318 3.069 20 0 BGADHN CCC[C@@H](C)CN1CCOC[C@@H]1c1ccccc1 ZINC000539381732 388754474 /nfs/dbraw/zinc/75/44/74/388754474.db2.gz PUHRFMFQSWJRQC-GDBMZVCRSA-N 0 3 247.382 3.496 20 0 BGADHN CCC[C@H](C)CN1CCOC[C@@H]1c1ccccc1 ZINC000539381733 388755712 /nfs/dbraw/zinc/75/57/12/388755712.db2.gz PUHRFMFQSWJRQC-GOEBONIOSA-N 0 3 247.382 3.496 20 0 BGADHN CCC[C@H](C)CN1CCOC[C@H]1c1ccccc1 ZINC000539381734 388754947 /nfs/dbraw/zinc/75/49/47/388754947.db2.gz PUHRFMFQSWJRQC-HOCLYGCPSA-N 0 3 247.382 3.496 20 0 BGADHN CCC[C@@H](C)CN1CCOC[C@H]1c1ccccc1 ZINC000539381735 388755050 /nfs/dbraw/zinc/75/50/50/388755050.db2.gz PUHRFMFQSWJRQC-ZBFHGGJFSA-N 0 3 247.382 3.496 20 0 BGADHN CC(C)[C@@H]1CCN1C/C=C\c1ccccc1 ZINC000539401371 388757384 /nfs/dbraw/zinc/75/73/84/388757384.db2.gz SLZCZJJZHBIRRQ-AJHXJQRKSA-N 0 3 215.340 3.430 20 0 BGADHN CC(C)[C@@H]1CCN1C/C=C/c1ccccc1 ZINC000539401372 388757392 /nfs/dbraw/zinc/75/73/92/388757392.db2.gz SLZCZJJZHBIRRQ-PPYMECGQSA-N 0 3 215.340 3.430 20 0 BGADHN CC(C)[C@H]1CCN1C/C=C/c1ccccc1 ZINC000539401373 388757540 /nfs/dbraw/zinc/75/75/40/388757540.db2.gz SLZCZJJZHBIRRQ-RZIFZGNASA-N 0 3 215.340 3.430 20 0 BGADHN CC(C)[C@H]1CCN1C/C=C\c1ccccc1 ZINC000539401445 388757207 /nfs/dbraw/zinc/75/72/07/388757207.db2.gz SLZCZJJZHBIRRQ-WUKHSURWSA-N 0 3 215.340 3.430 20 0 BGADHN CC(C)[C@@H]1CCN1CC1=Cc2ccccc2OC1 ZINC000539402264 388756755 /nfs/dbraw/zinc/75/67/55/388756755.db2.gz UUFDBSKBYVUGEK-HNNXBMFYSA-N 0 3 243.350 3.193 20 0 BGADHN CC(C)[C@H]1CCN1CC1=Cc2ccccc2OC1 ZINC000539402267 388756341 /nfs/dbraw/zinc/75/63/41/388756341.db2.gz UUFDBSKBYVUGEK-OAHLLOKOSA-N 0 3 243.350 3.193 20 0 BGADHN Cc1ccc(F)c(CN2CC[C@H]2C(C)C)c1 ZINC000539404585 388757420 /nfs/dbraw/zinc/75/74/20/388757420.db2.gz WPFRGIGQLMKCJF-AWEZNQCLSA-N 0 3 221.319 3.364 20 0 BGADHN Cc1ccc(F)c(CN2CC[C@@H]2C(C)C)c1 ZINC000539404594 388755729 /nfs/dbraw/zinc/75/57/29/388755729.db2.gz WPFRGIGQLMKCJF-CQSZACIVSA-N 0 3 221.319 3.364 20 0 BGADHN CCCC[C@@H](COC)NC1(c2ccccc2)CC1 ZINC000539623719 388768553 /nfs/dbraw/zinc/76/85/53/388768553.db2.gz MXKMFGWPIUGAED-HNNXBMFYSA-N 0 3 247.382 3.471 20 0 BGADHN CCCC[C@H](COC)NC1(c2ccccc2)CC1 ZINC000539623720 324848735 /nfs/dbraw/zinc/84/87/35/324848735.db2.gz MXKMFGWPIUGAED-OAHLLOKOSA-N 0 3 247.382 3.471 20 0 BGADHN COC[C@H](CC(C)C)NC1(c2ccccc2)CC1 ZINC000539624267 324848793 /nfs/dbraw/zinc/84/87/93/324848793.db2.gz KOJFVEAZWIYPOR-HNNXBMFYSA-N 0 3 247.382 3.326 20 0 BGADHN COC[C@@H](CC(C)C)NC1(c2ccccc2)CC1 ZINC000539624268 324848294 /nfs/dbraw/zinc/84/82/94/324848294.db2.gz KOJFVEAZWIYPOR-OAHLLOKOSA-N 0 3 247.382 3.326 20 0 BGADHN COCC1(N[C@H]2CC(C)(C)c3ccccc32)CC1 ZINC000539649976 388768662 /nfs/dbraw/zinc/76/86/62/388768662.db2.gz GXYSIIMHQVZGMK-AWEZNQCLSA-N 0 3 245.366 3.178 20 0 BGADHN COCC1(N[C@@H]2CC(C)(C)c3ccccc32)CC1 ZINC000539649977 388768653 /nfs/dbraw/zinc/76/86/53/388768653.db2.gz GXYSIIMHQVZGMK-CQSZACIVSA-N 0 3 245.366 3.178 20 0 BGADHN CC[C@@H](NC1(COC)CC1)c1ccc(F)cc1 ZINC000539650562 324850208 /nfs/dbraw/zinc/85/02/08/324850208.db2.gz AEILOQNPNLBKLC-CYBMUJFWSA-N 0 3 237.318 3.045 20 0 BGADHN CC[C@H](NC1(COC)CC1)c1ccc(F)cc1 ZINC000539650563 324850266 /nfs/dbraw/zinc/85/02/66/324850266.db2.gz AEILOQNPNLBKLC-ZDUSSCGKSA-N 0 3 237.318 3.045 20 0 BGADHN COCC1(N[C@H]2CC[C@@H](C)c3ccccc32)CC1 ZINC000539651479 324849963 /nfs/dbraw/zinc/84/99/63/324849963.db2.gz NIWQKHUJFOLNLQ-DOMZBBRYSA-N 0 3 245.366 3.394 20 0 BGADHN COCC1(N[C@@H]2CC[C@@H](C)c3ccccc32)CC1 ZINC000539651480 388769393 /nfs/dbraw/zinc/76/93/93/388769393.db2.gz NIWQKHUJFOLNLQ-IUODEOHRSA-N 0 3 245.366 3.394 20 0 BGADHN COCC1(N[C@@H]2CC[C@H](C)c3ccccc32)CC1 ZINC000539651481 388769550 /nfs/dbraw/zinc/76/95/50/388769550.db2.gz NIWQKHUJFOLNLQ-SWLSCSKDSA-N 0 3 245.366 3.394 20 0 BGADHN COCC1(N[C@H]2CC[C@H](C)c3ccccc32)CC1 ZINC000539651482 388770218 /nfs/dbraw/zinc/77/02/18/388770218.db2.gz NIWQKHUJFOLNLQ-WFASDCNBSA-N 0 3 245.366 3.394 20 0 BGADHN CCC[C@H](NC1(COC)CC1)c1ccccc1 ZINC000539652231 388769611 /nfs/dbraw/zinc/76/96/11/388769611.db2.gz PNUPNAGZJAYQQJ-AWEZNQCLSA-N 0 3 233.355 3.296 20 0 BGADHN CCC[C@@H](NC1(COC)CC1)c1ccccc1 ZINC000539652232 388769817 /nfs/dbraw/zinc/76/98/17/388769817.db2.gz PNUPNAGZJAYQQJ-CQSZACIVSA-N 0 3 233.355 3.296 20 0 BGADHN CC(C)n1cc([C@@H](C)NC2(C3CC3)CC2)cn1 ZINC000539656528 388769512 /nfs/dbraw/zinc/76/95/12/388769512.db2.gz ADMHGOFNUBJEOR-LLVKDONJSA-N 0 3 233.359 3.057 20 0 BGADHN CC(C)n1cc([C@H](C)NC2(C3CC3)CC2)cn1 ZINC000539656529 324850914 /nfs/dbraw/zinc/85/09/14/324850914.db2.gz ADMHGOFNUBJEOR-NSHDSACASA-N 0 3 233.359 3.057 20 0 BGADHN COc1ccccc1[C@@H](C)NC1(C2CC2)CC1 ZINC000539656581 388770446 /nfs/dbraw/zinc/77/04/46/388770446.db2.gz CHAHWXMPTNOKSB-LLVKDONJSA-N 0 3 231.339 3.288 20 0 BGADHN COc1ccccc1[C@H](C)NC1(C2CC2)CC1 ZINC000539656582 388769706 /nfs/dbraw/zinc/76/97/06/388769706.db2.gz CHAHWXMPTNOKSB-NSHDSACASA-N 0 3 231.339 3.288 20 0 BGADHN COc1ccc([C@H](C)NC2(C3CC3)CC2)c(F)c1 ZINC000539656779 388770432 /nfs/dbraw/zinc/77/04/32/388770432.db2.gz KTHAMYOHCAFFJD-JTQLQIEISA-N 0 3 249.329 3.428 20 0 BGADHN COc1ccc([C@@H](C)NC2(C3CC3)CC2)c(F)c1 ZINC000539656780 324851264 /nfs/dbraw/zinc/85/12/64/324851264.db2.gz KTHAMYOHCAFFJD-SNVBAGLBSA-N 0 3 249.329 3.428 20 0 BGADHN C[C@@H]1C[C@@H](C)N(Cc2cnc(C3CC3)s2)C1 ZINC000539817333 388780425 /nfs/dbraw/zinc/78/04/25/388780425.db2.gz WYWKMMCWLPSGHW-NXEZZACHSA-N 0 3 236.384 3.251 20 0 BGADHN C[C@H]1C[C@H](C)N(Cc2cnc(C3CC3)s2)C1 ZINC000539817346 388780311 /nfs/dbraw/zinc/78/03/11/388780311.db2.gz WYWKMMCWLPSGHW-UWVGGRQHSA-N 0 3 236.384 3.251 20 0 BGADHN C[C@@H]1C[C@H](C)CN1Cc1cnc(C2CC2)s1 ZINC000539817349 388779179 /nfs/dbraw/zinc/77/91/79/388779179.db2.gz WYWKMMCWLPSGHW-VHSXEESVSA-N 0 3 236.384 3.251 20 0 BGADHN C[C@@H]1C[C@H](C)N(Cc2cnc(C3CC3)s2)C1 ZINC000539817350 388780290 /nfs/dbraw/zinc/78/02/90/388780290.db2.gz WYWKMMCWLPSGHW-ZJUUUORDSA-N 0 3 236.384 3.251 20 0 BGADHN CCN(Cc1cnc(C2CC2)s1)C1CCC1 ZINC000539822259 388781663 /nfs/dbraw/zinc/78/16/63/388781663.db2.gz KWUQYHSKDYNQCX-UHFFFAOYSA-N 0 3 236.384 3.395 20 0 BGADHN CCn1cc(CN(C)CC2CCCCCC2)cn1 ZINC000539825619 388782185 /nfs/dbraw/zinc/78/21/85/388782185.db2.gz SUTZJRWNGUMSRB-UHFFFAOYSA-N 0 3 249.402 3.305 20 0 BGADHN CCOc1cccc(CN2C[C@@H](C)C[C@H]2CC)n1 ZINC000539826488 388782007 /nfs/dbraw/zinc/78/20/07/388782007.db2.gz KHBWNIANDKCWCT-GXTWGEPZSA-N 0 3 248.370 3.101 20 0 BGADHN CCOc1cccc(CN2C[C@@H](C)C[C@@H]2CC)n1 ZINC000539826489 388780779 /nfs/dbraw/zinc/78/07/79/388780779.db2.gz KHBWNIANDKCWCT-JSGCOSHPSA-N 0 3 248.370 3.101 20 0 BGADHN CCOc1cccc(CN2C[C@H](C)C[C@@H]2CC)n1 ZINC000539826490 388781144 /nfs/dbraw/zinc/78/11/44/388781144.db2.gz KHBWNIANDKCWCT-OCCSQVGLSA-N 0 3 248.370 3.101 20 0 BGADHN CCOc1cccc(CN2C[C@H](C)C[C@H]2CC)n1 ZINC000539826491 388782207 /nfs/dbraw/zinc/78/22/07/388782207.db2.gz KHBWNIANDKCWCT-TZMCWYRMSA-N 0 3 248.370 3.101 20 0 BGADHN CC1=CCN(C/C=C\c2ccc(F)cc2)CC1 ZINC000539827596 388781187 /nfs/dbraw/zinc/78/11/87/388781187.db2.gz KZRWCXRSDNFHIP-IHWYPQMZSA-N 0 3 231.314 3.491 20 0 BGADHN CC1=CCN(C/C=C/c2ccc(F)cc2)CC1 ZINC000539827597 388781265 /nfs/dbraw/zinc/78/12/65/388781265.db2.gz KZRWCXRSDNFHIP-NSCUHMNNSA-N 0 3 231.314 3.491 20 0 BGADHN C[C@H]1C[C@H]1c1ccc(CN2C[C@H](C)[C@H](C)C2)o1 ZINC000539827684 323076586 /nfs/dbraw/zinc/07/65/86/323076586.db2.gz RKPIEIAEOQKGFU-CIQGVGRVSA-N 0 3 233.355 3.491 20 0 BGADHN C[C@H]1C[C@H]1c1ccc(CN2C[C@@H](C)[C@H](C)C2)o1 ZINC000539827685 323076532 /nfs/dbraw/zinc/07/65/32/323076532.db2.gz RKPIEIAEOQKGFU-FMCLSXCISA-N 0 3 233.355 3.491 20 0 BGADHN C[C@@H]1C[C@H]1c1ccc(CN2C[C@@H](C)[C@H](C)C2)o1 ZINC000539827686 323076569 /nfs/dbraw/zinc/07/65/69/323076569.db2.gz RKPIEIAEOQKGFU-HKUMRIAESA-N 0 3 233.355 3.491 20 0 BGADHN C[C@@H]1C[C@H]1c1ccc(CN2C[C@H](C)[C@H](C)C2)o1 ZINC000539827687 323076548 /nfs/dbraw/zinc/07/65/48/323076548.db2.gz RKPIEIAEOQKGFU-NRWUCQMLSA-N 0 3 233.355 3.491 20 0 BGADHN CC[C@@H]1CCCN1Cc1cnc(C2CC2)s1 ZINC000539827814 388782047 /nfs/dbraw/zinc/78/20/47/388782047.db2.gz DJTRTZJVMDPZCX-LLVKDONJSA-N 0 3 236.384 3.395 20 0 BGADHN CC[C@H]1CCCN1Cc1cnc(C2CC2)s1 ZINC000539827815 388781768 /nfs/dbraw/zinc/78/17/68/388781768.db2.gz DJTRTZJVMDPZCX-NSHDSACASA-N 0 3 236.384 3.395 20 0 BGADHN C(C1CCCCCC1)N1CCOCC12CCC2 ZINC000539828444 388781909 /nfs/dbraw/zinc/78/19/09/388781909.db2.gz LGVISEDQCDLPKI-UHFFFAOYSA-N 0 3 237.387 3.212 20 0 BGADHN CC(C)(C)CN1CCO[C@](C)(c2ccccc2)C1 ZINC000539830010 388783386 /nfs/dbraw/zinc/78/33/86/388783386.db2.gz JHTWSHSGIWUGDU-INIZCTEOSA-N 0 3 247.382 3.280 20 0 BGADHN CC(C)(C)CN1CCO[C@@](C)(c2ccccc2)C1 ZINC000539830011 388783583 /nfs/dbraw/zinc/78/35/83/388783583.db2.gz JHTWSHSGIWUGDU-MRXNPFEDSA-N 0 3 247.382 3.280 20 0 BGADHN Cc1cccc(CN2CCOC[C@@H]2CC(C)C)c1 ZINC000539830082 388783362 /nfs/dbraw/zinc/78/33/62/388783362.db2.gz OXTUIGCNIMKMLY-INIZCTEOSA-N 0 3 247.382 3.242 20 0 BGADHN Cc1cccc(CN2CCOC[C@H]2CC(C)C)c1 ZINC000539830083 388782033 /nfs/dbraw/zinc/78/20/33/388782033.db2.gz OXTUIGCNIMKMLY-MRXNPFEDSA-N 0 3 247.382 3.242 20 0 BGADHN c1ccc2c(CN3CCC34CCC4)ccnc2c1 ZINC000539833422 388784239 /nfs/dbraw/zinc/78/42/39/388784239.db2.gz ZFCALLQLBYITKK-UHFFFAOYSA-N 0 3 238.334 3.363 20 0 BGADHN CSc1ccc(CN2C[C@@H]3[C@H](C2)C3(C)C)cc1 ZINC000539834530 388784083 /nfs/dbraw/zinc/78/40/83/388784083.db2.gz GGUDEPQESIOZEY-OKILXGFUSA-N 0 3 247.407 3.496 20 0 BGADHN Cc1ccoc1CN1CCC(C(C)C)CC1 ZINC000539835065 388782685 /nfs/dbraw/zinc/78/26/85/388782685.db2.gz CRZOIPHHIBXKOM-UHFFFAOYSA-N 0 3 221.344 3.456 20 0 BGADHN CC1(C)CCN1Cc1cccc(OC(F)F)c1 ZINC000539835254 388783109 /nfs/dbraw/zinc/78/31/09/388783109.db2.gz JCXLBRAEDMXQCW-UHFFFAOYSA-N 0 3 241.281 3.272 20 0 BGADHN CC1(C)CCN1Cc1ccc(F)c2cccnc12 ZINC000539835350 323076597 /nfs/dbraw/zinc/07/65/97/323076597.db2.gz ADSSQEMNFFNKMX-UHFFFAOYSA-N 0 3 244.313 3.358 20 0 BGADHN CC1(C)CCN1Cc1ccc2c(c1)CC(C)(C)O2 ZINC000539835403 388783450 /nfs/dbraw/zinc/78/34/50/388783450.db2.gz NSINNPBSSISJNV-UHFFFAOYSA-N 0 3 245.366 3.384 20 0 BGADHN CC1(C)CCN1C/C=C\c1ccc(F)cc1 ZINC000539837446 388782655 /nfs/dbraw/zinc/78/26/55/388782655.db2.gz CIPIMXXNSFAMSA-ARJAWSKDSA-N 0 3 219.303 3.323 20 0 BGADHN CCCOc1cccc(CN2CCC2(C)C)c1 ZINC000539837602 388783712 /nfs/dbraw/zinc/78/37/12/388783712.db2.gz OLSXRJQNUMATSS-UHFFFAOYSA-N 0 3 233.355 3.460 20 0 BGADHN CC1(C)CCN1Cc1ccc2ncccc2c1 ZINC000539837638 388782769 /nfs/dbraw/zinc/78/27/69/388782769.db2.gz QBMSIQGYVPVDPT-UHFFFAOYSA-N 0 3 226.323 3.219 20 0 BGADHN Cc1ccc(F)c(CN2CC[C@@H](C3CC3)C2)c1 ZINC000539852764 388785401 /nfs/dbraw/zinc/78/54/01/388785401.db2.gz OYCKZOIACQBRLY-CYBMUJFWSA-N 0 3 233.330 3.366 20 0 BGADHN Cc1ccc(F)c(CN2CC[C@H](C3CC3)C2)c1 ZINC000539852765 388786083 /nfs/dbraw/zinc/78/60/83/388786083.db2.gz OYCKZOIACQBRLY-ZDUSSCGKSA-N 0 3 233.330 3.366 20 0 BGADHN CCN1CC=C(c2cc(C)cc(C)c2)CC1 ZINC000539885342 388787861 /nfs/dbraw/zinc/78/78/61/388787861.db2.gz IINSPFGCGHNZQR-UHFFFAOYSA-N 0 3 215.340 3.412 20 0 BGADHN CCCCC[C@H]1CCCN1Cc1ccnn1CC ZINC000539898677 388786512 /nfs/dbraw/zinc/78/65/12/388786512.db2.gz BOMKASDOOXTJQA-AWEZNQCLSA-N 0 3 249.402 3.448 20 0 BGADHN CCCCC[C@@H]1CCCN1Cc1ccnn1CC ZINC000539898678 388786866 /nfs/dbraw/zinc/78/68/66/388786866.db2.gz BOMKASDOOXTJQA-CQSZACIVSA-N 0 3 249.402 3.448 20 0 BGADHN CC(C)[C@@H]1CCN(Cc2cc(F)cc(F)c2)C1 ZINC000539911675 388788662 /nfs/dbraw/zinc/78/86/62/388788662.db2.gz MRYCTRCTFMXJGL-GFCCVEGCSA-N 0 3 239.309 3.443 20 0 BGADHN CC(C)[C@H]1CCN(Cc2cc(F)cc(F)c2)C1 ZINC000539911676 388788911 /nfs/dbraw/zinc/78/89/11/388788911.db2.gz MRYCTRCTFMXJGL-LBPRGKRZSA-N 0 3 239.309 3.443 20 0 BGADHN COc1c(C)cc(CN2CCCCC2)cc1C ZINC000539923753 388789728 /nfs/dbraw/zinc/78/97/28/388789728.db2.gz BMPKJOZHZHPGMD-UHFFFAOYSA-N 0 3 233.355 3.298 20 0 BGADHN COC(C)(C)CN(C)C/C=C/c1ccccc1 ZINC000539927505 388789722 /nfs/dbraw/zinc/78/97/22/388789722.db2.gz PYMKTNCSRGHHEC-DHZHZOJOSA-N 0 3 233.355 3.057 20 0 BGADHN COC(C)(C)CN(C)C/C=C\c1ccccc1 ZINC000539927506 388788614 /nfs/dbraw/zinc/78/86/14/388788614.db2.gz PYMKTNCSRGHHEC-FLIBITNWSA-N 0 3 233.355 3.057 20 0 BGADHN Cc1ccc(CCN[C@H](C)c2ccc(F)cn2)o1 ZINC000539969513 324879394 /nfs/dbraw/zinc/87/93/94/324879394.db2.gz MUTJXJCGWQTQJX-LLVKDONJSA-N 0 3 248.301 3.015 20 0 BGADHN Cc1ccc(CCN[C@@H](C)c2ccc(F)cn2)o1 ZINC000539969514 324879681 /nfs/dbraw/zinc/87/96/81/324879681.db2.gz MUTJXJCGWQTQJX-NSHDSACASA-N 0 3 248.301 3.015 20 0 BGADHN CC(C)[C@H]1C[C@@H](N[C@@H](C)c2ccoc2)CCO1 ZINC000540136885 388796474 /nfs/dbraw/zinc/79/64/74/388796474.db2.gz YDCPQCFEBXNBCK-FPMFFAJLSA-N 0 3 237.343 3.134 20 0 BGADHN CC(C)[C@H]1C[C@H](N[C@@H](C)c2ccoc2)CCO1 ZINC000540136886 324887966 /nfs/dbraw/zinc/88/79/66/324887966.db2.gz YDCPQCFEBXNBCK-IACUBPJLSA-N 0 3 237.343 3.134 20 0 BGADHN CC(C)[C@@H]1C[C@@H](N[C@@H](C)c2ccoc2)CCO1 ZINC000540136887 388796533 /nfs/dbraw/zinc/79/65/33/388796533.db2.gz YDCPQCFEBXNBCK-UBHSHLNASA-N 0 3 237.343 3.134 20 0 BGADHN CC(C)[C@@H]1C[C@H](N[C@@H](C)c2ccoc2)CCO1 ZINC000540136888 324888220 /nfs/dbraw/zinc/88/82/20/324888220.db2.gz YDCPQCFEBXNBCK-YUTCNCBUSA-N 0 3 237.343 3.134 20 0 BGADHN C[C@@H](NCCOc1ccccc1F)c1ccoc1 ZINC000540173103 324890567 /nfs/dbraw/zinc/89/05/67/324890567.db2.gz BYGVAYJXDVFQCT-LLVKDONJSA-N 0 3 249.285 3.148 20 0 BGADHN C[C@H](NCCOc1ccccc1F)c1ccoc1 ZINC000540173104 388797584 /nfs/dbraw/zinc/79/75/84/388797584.db2.gz BYGVAYJXDVFQCT-NSHDSACASA-N 0 3 249.285 3.148 20 0 BGADHN C[C@@H]1Cc2ccccc2[C@@H]1NCCC(F)(F)F ZINC000540186898 388797741 /nfs/dbraw/zinc/79/77/41/388797741.db2.gz DKECVODRSWSGJO-BXKDBHETSA-N 0 3 243.272 3.462 20 0 BGADHN C[C@H]1Cc2ccccc2[C@H]1NCCC(F)(F)F ZINC000540186899 388797381 /nfs/dbraw/zinc/79/73/81/388797381.db2.gz DKECVODRSWSGJO-CABZTGNLSA-N 0 3 243.272 3.462 20 0 BGADHN C[C@H]1Cc2ccccc2[C@@H]1NCCC(F)(F)F ZINC000540186900 324890928 /nfs/dbraw/zinc/89/09/28/324890928.db2.gz DKECVODRSWSGJO-JOYOIKCWSA-N 0 3 243.272 3.462 20 0 BGADHN C[C@@H]1Cc2ccccc2[C@H]1NCCC(F)(F)F ZINC000540186901 324891238 /nfs/dbraw/zinc/89/12/38/324891238.db2.gz DKECVODRSWSGJO-SKDRFNHKSA-N 0 3 243.272 3.462 20 0 BGADHN CC(C)Oc1ccccc1[C@@H](C)NCCCF ZINC000540325679 388804204 /nfs/dbraw/zinc/80/42/04/388804204.db2.gz MZHSOCKCBCCJRO-GFCCVEGCSA-N 0 3 239.334 3.484 20 0 BGADHN CC(C)Oc1ccccc1[C@H](C)NCCCF ZINC000540325682 388804336 /nfs/dbraw/zinc/80/43/36/388804336.db2.gz MZHSOCKCBCCJRO-LBPRGKRZSA-N 0 3 239.334 3.484 20 0 BGADHN CC[C@H](N[C@H]1CC[C@H](C)CC1)c1nccn1C ZINC000540361083 324897461 /nfs/dbraw/zinc/89/74/61/324897461.db2.gz QSIDHWKRJNAYTN-AVGNSLFASA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@@H](N[C@H]1CC[C@H](C)CC1)c1nccn1C ZINC000540361084 388804175 /nfs/dbraw/zinc/80/41/75/388804175.db2.gz QSIDHWKRJNAYTN-JHJVBQTASA-N 0 3 235.375 3.040 20 0 BGADHN C[C@@H](NC[C@@H](C)C1CCCCC1)c1nccn1C ZINC000540405643 388806336 /nfs/dbraw/zinc/80/63/36/388806336.db2.gz DMNSAYJNUPCHME-CHWSQXEVSA-N 0 3 249.402 3.287 20 0 BGADHN C[C@H](CN[C@@H](C)c1nccn1C)C1CCCCC1 ZINC000540405644 388806628 /nfs/dbraw/zinc/80/66/28/388806628.db2.gz DMNSAYJNUPCHME-OLZOCXBDSA-N 0 3 249.402 3.287 20 0 BGADHN C[C@@H](CN[C@H](C)c1nccn1C)C1CCCCC1 ZINC000540405645 388806924 /nfs/dbraw/zinc/80/69/24/388806924.db2.gz DMNSAYJNUPCHME-QWHCGFSZSA-N 0 3 249.402 3.287 20 0 BGADHN C[C@@H](CN[C@@H](C)c1nccn1C)C1CCCCC1 ZINC000540405646 324899374 /nfs/dbraw/zinc/89/93/74/324899374.db2.gz DMNSAYJNUPCHME-STQMWFEESA-N 0 3 249.402 3.287 20 0 BGADHN CCCCCN[C@@H](COC)c1ccc(F)cc1 ZINC000540477818 324901640 /nfs/dbraw/zinc/90/16/40/324901640.db2.gz ZJUYBPFRTIIRAV-AWEZNQCLSA-N 0 3 239.334 3.293 20 0 BGADHN CCCCCN[C@H](COC)c1ccc(F)cc1 ZINC000540477819 324901995 /nfs/dbraw/zinc/90/19/95/324901995.db2.gz ZJUYBPFRTIIRAV-CQSZACIVSA-N 0 3 239.334 3.293 20 0 BGADHN CCC[C@@H](C)CN1CCO[C@@H](c2ccccc2)C1 ZINC000540510206 388807812 /nfs/dbraw/zinc/80/78/12/388807812.db2.gz WEARRVBXKIWNSS-GDBMZVCRSA-N 0 3 247.382 3.496 20 0 BGADHN CCC[C@H](C)CN1CCO[C@@H](c2ccccc2)C1 ZINC000540510207 388808435 /nfs/dbraw/zinc/80/84/35/388808435.db2.gz WEARRVBXKIWNSS-GOEBONIOSA-N 0 3 247.382 3.496 20 0 BGADHN CCC[C@H](C)CN1CCO[C@H](c2ccccc2)C1 ZINC000540510208 388807302 /nfs/dbraw/zinc/80/73/02/388807302.db2.gz WEARRVBXKIWNSS-HOCLYGCPSA-N 0 3 247.382 3.496 20 0 BGADHN CCC[C@@H](C)CN1CCO[C@H](c2ccccc2)C1 ZINC000540510209 388808655 /nfs/dbraw/zinc/80/86/55/388808655.db2.gz WEARRVBXKIWNSS-ZBFHGGJFSA-N 0 3 247.382 3.496 20 0 BGADHN Fc1cc(F)c(CNC2(C3CC3)CC2)cc1F ZINC000540613709 388812145 /nfs/dbraw/zinc/81/21/45/388812145.db2.gz KXXOFWWHXKSEDV-UHFFFAOYSA-N 0 3 241.256 3.136 20 0 BGADHN COCC1(NCc2c(C)oc3ccccc32)CC1 ZINC000540624018 388811374 /nfs/dbraw/zinc/81/13/74/388811374.db2.gz NFUDWOYYKBPKFG-UHFFFAOYSA-N 0 3 245.322 3.010 20 0 BGADHN COCC1(N[C@H](C)c2ccc3c(c2)CCC3)CC1 ZINC000540749537 324915940 /nfs/dbraw/zinc/91/59/40/324915940.db2.gz GOXFLSNVHLZUSN-GFCCVEGCSA-N 0 3 245.366 3.005 20 0 BGADHN COCC1(N[C@@H](C)c2ccc3c(c2)CCC3)CC1 ZINC000540749539 388816658 /nfs/dbraw/zinc/81/66/58/388816658.db2.gz GOXFLSNVHLZUSN-LBPRGKRZSA-N 0 3 245.366 3.005 20 0 BGADHN CCCc1ccc([C@@H](C)NC2(COC)CC2)cc1 ZINC000540749710 324915894 /nfs/dbraw/zinc/91/58/94/324915894.db2.gz LTCSINKCTRRFFT-CYBMUJFWSA-N 0 3 247.382 3.469 20 0 BGADHN CCCc1ccc([C@H](C)NC2(COC)CC2)cc1 ZINC000540749711 388816787 /nfs/dbraw/zinc/81/67/87/388816787.db2.gz LTCSINKCTRRFFT-ZDUSSCGKSA-N 0 3 247.382 3.469 20 0 BGADHN COCC1(N[C@@H](C)c2cc(C)c(C)cc2C)CC1 ZINC000540749956 324915888 /nfs/dbraw/zinc/91/58/88/324915888.db2.gz RIWZWTSMHDBLDA-AWEZNQCLSA-N 0 3 247.382 3.441 20 0 BGADHN COCC1(N[C@H](C)c2cc(C)c(C)cc2C)CC1 ZINC000540749961 324916105 /nfs/dbraw/zinc/91/61/05/324916105.db2.gz RIWZWTSMHDBLDA-CQSZACIVSA-N 0 3 247.382 3.441 20 0 BGADHN COCC1(N[C@H](C)c2cc(C)cc(C)c2)CC1 ZINC000540750546 324916009 /nfs/dbraw/zinc/91/60/09/324916009.db2.gz JRUVUABZUCRKNO-CYBMUJFWSA-N 0 3 233.355 3.133 20 0 BGADHN COCC1(N[C@@H](C)c2cc(C)cc(C)c2)CC1 ZINC000540750547 324915891 /nfs/dbraw/zinc/91/58/91/324915891.db2.gz JRUVUABZUCRKNO-ZDUSSCGKSA-N 0 3 233.355 3.133 20 0 BGADHN CCCc1ccc(CSCCN(C)C)cc1 ZINC000540857000 324922676 /nfs/dbraw/zinc/92/26/76/324922676.db2.gz XNFNNOPSGNKHSH-UHFFFAOYSA-N 0 3 237.412 3.434 20 0 BGADHN COc1c(O)cccc1CN(CC1CC1)C(C)C ZINC000540914219 388825837 /nfs/dbraw/zinc/82/58/37/388825837.db2.gz IRKOXUFFXXMKRV-UHFFFAOYSA-N 0 3 249.354 3.021 20 0 BGADHN Cc1ccc(F)cc1CN1CCC1(C)C ZINC000540916493 388825393 /nfs/dbraw/zinc/82/53/93/388825393.db2.gz PWVNXWFADXDYET-UHFFFAOYSA-N 0 3 207.292 3.118 20 0 BGADHN CCc1cccnc1[C@@H](C)NCCCC1CC1 ZINC000540954014 324935207 /nfs/dbraw/zinc/93/52/07/324935207.db2.gz VSOKUZLUVCJURE-GFCCVEGCSA-N 0 3 232.371 3.485 20 0 BGADHN CCc1cccnc1[C@H](C)NCCCC1CC1 ZINC000540954015 324934792 /nfs/dbraw/zinc/93/47/92/324934792.db2.gz VSOKUZLUVCJURE-LBPRGKRZSA-N 0 3 232.371 3.485 20 0 BGADHN CCc1cccnc1[C@@H](C)NC1(C2CC2)CC1 ZINC000540954052 324934972 /nfs/dbraw/zinc/93/49/72/324934972.db2.gz DIBQGGRFTBCCBV-LLVKDONJSA-N 0 3 230.355 3.237 20 0 BGADHN CCc1cccnc1[C@H](C)NC1(C2CC2)CC1 ZINC000540954053 323110808 /nfs/dbraw/zinc/11/08/08/323110808.db2.gz DIBQGGRFTBCCBV-NSHDSACASA-N 0 3 230.355 3.237 20 0 BGADHN Cc1cc(CN[C@H]2CCCC[C@H]2C2CC2)no1 ZINC000540956329 324935641 /nfs/dbraw/zinc/93/56/41/324935641.db2.gz KCOFXUSDQBZHNO-KBPBESRZSA-N 0 3 234.343 3.041 20 0 BGADHN Cc1cc(CN[C@H]2CCCC[C@@H]2C2CC2)no1 ZINC000540956330 388830271 /nfs/dbraw/zinc/83/02/71/388830271.db2.gz KCOFXUSDQBZHNO-KGLIPLIRSA-N 0 3 234.343 3.041 20 0 BGADHN Cc1cc(CN[C@@H]2CCCC[C@H]2C2CC2)no1 ZINC000540956331 388829916 /nfs/dbraw/zinc/82/99/16/388829916.db2.gz KCOFXUSDQBZHNO-UONOGXRCSA-N 0 3 234.343 3.041 20 0 BGADHN Cc1cc(CN[C@@H]2CCCC[C@@H]2C2CC2)no1 ZINC000540956332 388829037 /nfs/dbraw/zinc/82/90/37/388829037.db2.gz KCOFXUSDQBZHNO-ZIAGYGMSSA-N 0 3 234.343 3.041 20 0 BGADHN CC(C)=CCN1Cc2ccccc2OC[C@H]1C ZINC000541085550 388839346 /nfs/dbraw/zinc/83/93/46/388839346.db2.gz KDSMQRAYGNJQNF-CYBMUJFWSA-N 0 3 231.339 3.236 20 0 BGADHN CC(C)=CCN1Cc2ccccc2OC[C@@H]1C ZINC000541085556 388839472 /nfs/dbraw/zinc/83/94/72/388839472.db2.gz KDSMQRAYGNJQNF-ZDUSSCGKSA-N 0 3 231.339 3.236 20 0 BGADHN CC(C)CCN1Cc2ccccc2OC[C@H]1C ZINC000541086067 388839121 /nfs/dbraw/zinc/83/91/21/388839121.db2.gz NHHXXPALVYSJAM-CYBMUJFWSA-N 0 3 233.355 3.316 20 0 BGADHN CC(C)CCN1Cc2ccccc2OC[C@@H]1C ZINC000541086069 388839413 /nfs/dbraw/zinc/83/94/13/388839413.db2.gz NHHXXPALVYSJAM-ZDUSSCGKSA-N 0 3 233.355 3.316 20 0 BGADHN Clc1ccccc1CCCN1CCCC1 ZINC000541280518 324953428 /nfs/dbraw/zinc/95/34/28/324953428.db2.gz FERAXPJPVGMMRF-UHFFFAOYSA-N 0 3 223.747 3.368 20 0 BGADHN Fc1cccc(CCN2C3CCC2CC3)c1F ZINC000541282060 388847528 /nfs/dbraw/zinc/84/75/28/388847528.db2.gz IBUSUDVLLKYUEU-UHFFFAOYSA-N 0 3 237.293 3.134 20 0 BGADHN CC(C)c1ccc([C@H](C)N2CCN(C)CC2)cc1 ZINC000541282347 388848546 /nfs/dbraw/zinc/84/85/46/388848546.db2.gz KOMUCNRWVCEXBE-AWEZNQCLSA-N 0 3 246.398 3.118 20 0 BGADHN CC(C)c1ccc([C@@H](C)N2CCN(C)CC2)cc1 ZINC000541282349 388847846 /nfs/dbraw/zinc/84/78/46/388847846.db2.gz KOMUCNRWVCEXBE-CQSZACIVSA-N 0 3 246.398 3.118 20 0 BGADHN C[C@H]1CN(CCC(F)(F)F)CC(C)(C)C1 ZINC000541322877 388847744 /nfs/dbraw/zinc/84/77/44/388847744.db2.gz VJNNAKVFHIIPRO-SECBINFHSA-N 0 3 223.282 3.307 20 0 BGADHN C[C@@H]1CN(CCC(F)(F)F)CC(C)(C)C1 ZINC000541322878 388848166 /nfs/dbraw/zinc/84/81/66/388848166.db2.gz VJNNAKVFHIIPRO-VIFPVBQESA-N 0 3 223.282 3.307 20 0 BGADHN CC1(C)CCCN1CCc1cccc(F)c1F ZINC000541349499 388849230 /nfs/dbraw/zinc/84/92/30/388849230.db2.gz VOMNXSARXWCNKA-UHFFFAOYSA-N 0 3 239.309 3.382 20 0 BGADHN C[C@@H]1C[C@@H](C)N(CCc2cccc(F)c2F)C1 ZINC000541349663 388849195 /nfs/dbraw/zinc/84/91/95/388849195.db2.gz OMMVTOHHLOLUAF-GHMZBOCLSA-N 0 3 239.309 3.238 20 0 BGADHN C[C@@H]1C[C@H](C)N(CCc2cccc(F)c2F)C1 ZINC000541349664 388850520 /nfs/dbraw/zinc/85/05/20/388850520.db2.gz OMMVTOHHLOLUAF-MNOVXSKESA-N 0 3 239.309 3.238 20 0 BGADHN C[C@H]1C[C@H](C)N(CCc2cccc(F)c2F)C1 ZINC000541349666 388850529 /nfs/dbraw/zinc/85/05/29/388850529.db2.gz OMMVTOHHLOLUAF-QWRGUYRKSA-N 0 3 239.309 3.238 20 0 BGADHN C[C@@H]1C[C@H](C)CN1CCc1cccc(F)c1F ZINC000541349667 388849742 /nfs/dbraw/zinc/84/97/42/388849742.db2.gz OMMVTOHHLOLUAF-WDEREUQCSA-N 0 3 239.309 3.238 20 0 BGADHN C[C@@H]1CN(CCc2cccc(F)c2F)C[C@H]1C ZINC000541350803 324956220 /nfs/dbraw/zinc/95/62/20/324956220.db2.gz GQSLHXCVNLMFNH-GHMZBOCLSA-N 0 3 239.309 3.095 20 0 BGADHN C[C@H]1CN(CCc2cccc(F)c2F)C[C@H]1C ZINC000541350804 388849682 /nfs/dbraw/zinc/84/96/82/388849682.db2.gz GQSLHXCVNLMFNH-PHIMTYICSA-N 0 3 239.309 3.095 20 0 BGADHN C[C@H]1CN(CCc2cccc(F)c2F)C[C@@H]1C ZINC000541350805 388849438 /nfs/dbraw/zinc/84/94/38/388849438.db2.gz GQSLHXCVNLMFNH-QWRGUYRKSA-N 0 3 239.309 3.095 20 0 BGADHN C[C@@H]1CCN(CCc2cccc(F)c2F)[C@@H]1C ZINC000541352138 388849511 /nfs/dbraw/zinc/84/95/11/388849511.db2.gz KDCWQQWSEGUPND-GHMZBOCLSA-N 0 3 239.309 3.238 20 0 BGADHN C[C@@H]1CCN(CCc2cccc(F)c2F)[C@H]1C ZINC000541352139 388850268 /nfs/dbraw/zinc/85/02/68/388850268.db2.gz KDCWQQWSEGUPND-MNOVXSKESA-N 0 3 239.309 3.238 20 0 BGADHN C[C@H]1CCN(CCc2cccc(F)c2F)[C@H]1C ZINC000541352140 388849394 /nfs/dbraw/zinc/84/93/94/388849394.db2.gz KDCWQQWSEGUPND-QWRGUYRKSA-N 0 3 239.309 3.238 20 0 BGADHN C[C@@H]1[C@@H](C)CCN1CCc1cccc(F)c1F ZINC000541352141 388849286 /nfs/dbraw/zinc/84/92/86/388849286.db2.gz KDCWQQWSEGUPND-WDEREUQCSA-N 0 3 239.309 3.238 20 0 BGADHN CCc1cnc(CN2CC[C@@H](C(C)C)C2)s1 ZINC000541535458 388855136 /nfs/dbraw/zinc/85/51/36/388855136.db2.gz YDYJBPMNNBZGTI-LLVKDONJSA-N 0 3 238.400 3.183 20 0 BGADHN CCc1cnc(CN2CC[C@H](C(C)C)C2)s1 ZINC000541535463 388854825 /nfs/dbraw/zinc/85/48/25/388854825.db2.gz YDYJBPMNNBZGTI-NSHDSACASA-N 0 3 238.400 3.183 20 0 BGADHN C[C@H](NC1(C2CC2)CC1)c1nc2ccccc2o1 ZINC000541596517 388859635 /nfs/dbraw/zinc/85/96/35/388859635.db2.gz BOTHZPNPSMSIFU-JTQLQIEISA-N 0 3 242.322 3.421 20 0 BGADHN C[C@@H](NC1(C2CC2)CC1)c1nc2ccccc2o1 ZINC000541596518 388860598 /nfs/dbraw/zinc/86/05/98/388860598.db2.gz BOTHZPNPSMSIFU-SNVBAGLBSA-N 0 3 242.322 3.421 20 0 BGADHN CCCCN1CCO[C@@H](CCc2ccccc2)C1 ZINC000541699926 388864364 /nfs/dbraw/zinc/86/43/64/388864364.db2.gz DVWQQQBTRREAHS-INIZCTEOSA-N 0 3 247.382 3.120 20 0 BGADHN CCCCN1CCO[C@H](CCc2ccccc2)C1 ZINC000541699927 388864918 /nfs/dbraw/zinc/86/49/18/388864918.db2.gz DVWQQQBTRREAHS-MRXNPFEDSA-N 0 3 247.382 3.120 20 0 BGADHN C(C1CCC1)N1CCO[C@H](C2CCCCC2)C1 ZINC000541718881 388864874 /nfs/dbraw/zinc/86/48/74/388864874.db2.gz SRRTXZHGISFQKX-HNNXBMFYSA-N 0 3 237.387 3.068 20 0 BGADHN C(C1CCC1)N1CCO[C@@H](C2CCCCC2)C1 ZINC000541718882 388864158 /nfs/dbraw/zinc/86/41/58/388864158.db2.gz SRRTXZHGISFQKX-OAHLLOKOSA-N 0 3 237.387 3.068 20 0 BGADHN CCCCN1CCO[C@H](C2CCCCC2)C1 ZINC000541718981 388864867 /nfs/dbraw/zinc/86/48/67/388864867.db2.gz SJJMIFJOZDUONQ-AWEZNQCLSA-N 0 3 225.376 3.068 20 0 BGADHN CCCCN1CCO[C@@H](C2CCCCC2)C1 ZINC000541718982 388865305 /nfs/dbraw/zinc/86/53/05/388865305.db2.gz SJJMIFJOZDUONQ-CQSZACIVSA-N 0 3 225.376 3.068 20 0 BGADHN CC[C@H](N[C@@H]1CC[C@H](C)C[C@H]1C)c1ccn(C)n1 ZINC000541732283 324975728 /nfs/dbraw/zinc/97/57/28/324975728.db2.gz JSBKFRWZAQDOCU-RFQIPJPRSA-N 0 3 249.402 3.286 20 0 BGADHN CC[C@H](N[C@@H]1CC[C@H](C)C[C@@H]1C)c1ccn(C)n1 ZINC000541732284 324975890 /nfs/dbraw/zinc/97/58/90/324975890.db2.gz JSBKFRWZAQDOCU-XDQVBPFNSA-N 0 3 249.402 3.286 20 0 BGADHN CC[C@H](N[C@@H]1CC[C@@H](C)C[C@H]1C)c1ccn(C)n1 ZINC000541732285 388865867 /nfs/dbraw/zinc/86/58/67/388865867.db2.gz JSBKFRWZAQDOCU-YIYPIFLZSA-N 0 3 249.402 3.286 20 0 BGADHN CC[C@H](N[C@@H]1CC[C@@H](C)C[C@@H]1C)c1ccn(C)n1 ZINC000541732286 324975800 /nfs/dbraw/zinc/97/58/00/324975800.db2.gz JSBKFRWZAQDOCU-ZOBORPQBSA-N 0 3 249.402 3.286 20 0 BGADHN C1CCC(N2CCO[C@H](C3CCCCC3)C2)C1 ZINC000541733183 388866390 /nfs/dbraw/zinc/86/63/90/388866390.db2.gz FWVCOMZKPWHBHY-HNNXBMFYSA-N 0 3 237.387 3.210 20 0 BGADHN C1CCC(N2CCO[C@@H](C3CCCCC3)C2)C1 ZINC000541733186 388865934 /nfs/dbraw/zinc/86/59/34/388865934.db2.gz FWVCOMZKPWHBHY-OAHLLOKOSA-N 0 3 237.387 3.210 20 0 BGADHN CC[C@@H](NCC1(CC)CCC1)c1ccn(C)n1 ZINC000541733727 388865701 /nfs/dbraw/zinc/86/57/01/388865701.db2.gz YTGINRDLSFFSMN-GFCCVEGCSA-N 0 3 235.375 3.041 20 0 BGADHN CC[C@H](NCC1(CC)CCC1)c1ccn(C)n1 ZINC000541733729 324975928 /nfs/dbraw/zinc/97/59/28/324975928.db2.gz YTGINRDLSFFSMN-LBPRGKRZSA-N 0 3 235.375 3.041 20 0 BGADHN CC[C@@H](NCC1(CC)CCCC1)c1ccn(C)n1 ZINC000541734465 324975724 /nfs/dbraw/zinc/97/57/24/324975724.db2.gz JZYIJVRXKJEAAL-CYBMUJFWSA-N 0 3 249.402 3.431 20 0 BGADHN CC[C@H](NCC1(CC)CCCC1)c1ccn(C)n1 ZINC000541734466 388865895 /nfs/dbraw/zinc/86/58/95/388865895.db2.gz JZYIJVRXKJEAAL-ZDUSSCGKSA-N 0 3 249.402 3.431 20 0 BGADHN CC[C@H](NC1C[C@H](C)C[C@@H](C)C1)c1ccn(C)n1 ZINC000541736208 388865790 /nfs/dbraw/zinc/86/57/90/388865790.db2.gz FSPMHXXTDVIWPJ-BZPMIXESSA-N 0 3 249.402 3.286 20 0 BGADHN CC[C@H](N[C@H]1C[C@H](C)C[C@H](C)C1)c1ccn(C)n1 ZINC000541736209 388865972 /nfs/dbraw/zinc/86/59/72/388865972.db2.gz FSPMHXXTDVIWPJ-DGAVXFQQSA-N 0 3 249.402 3.286 20 0 BGADHN CC[C@H](NC1C[C@@H](C)C[C@H](C)C1)c1ccn(C)n1 ZINC000541736210 388866363 /nfs/dbraw/zinc/86/63/63/388866363.db2.gz FSPMHXXTDVIWPJ-OBJOEFQTSA-N 0 3 249.402 3.286 20 0 BGADHN CC[C@@H](N[C@H]1C[C@H](C)C[C@H](C)C1)c1ccn(C)n1 ZINC000541736211 388865955 /nfs/dbraw/zinc/86/59/55/388865955.db2.gz FSPMHXXTDVIWPJ-ZOBORPQBSA-N 0 3 249.402 3.286 20 0 BGADHN CCC[C@@H](NCCC(F)(F)F)c1cccnc1 ZINC000541742744 388866031 /nfs/dbraw/zinc/86/60/31/388866031.db2.gz NSDJNKILOFDOOA-LLVKDONJSA-N 0 3 246.276 3.465 20 0 BGADHN CCC[C@H](NCCC(F)(F)F)c1cccnc1 ZINC000541742745 324976246 /nfs/dbraw/zinc/97/62/46/324976246.db2.gz NSDJNKILOFDOOA-NSHDSACASA-N 0 3 246.276 3.465 20 0 BGADHN CC[C@H](N[C@@H]1CCC[C@H](C)[C@H]1C)c1ccn(C)n1 ZINC000541747251 388865729 /nfs/dbraw/zinc/86/57/29/388865729.db2.gz SYMCTNVNPLPZRH-RFQIPJPRSA-N 0 3 249.402 3.286 20 0 BGADHN CC[C@H](N[C@@H]1CCC[C@H](C)[C@@H]1C)c1ccn(C)n1 ZINC000541747253 388865968 /nfs/dbraw/zinc/86/59/68/388865968.db2.gz SYMCTNVNPLPZRH-XDQVBPFNSA-N 0 3 249.402 3.286 20 0 BGADHN CC[C@H](N[C@@H]1CCC[C@@H](C)[C@H]1C)c1ccn(C)n1 ZINC000541747254 324977196 /nfs/dbraw/zinc/97/71/96/324977196.db2.gz SYMCTNVNPLPZRH-YIYPIFLZSA-N 0 3 249.402 3.286 20 0 BGADHN CC[C@H](N[C@@H]1CCC[C@@H](C)[C@@H]1C)c1ccn(C)n1 ZINC000541747255 388866011 /nfs/dbraw/zinc/86/60/11/388866011.db2.gz SYMCTNVNPLPZRH-ZOBORPQBSA-N 0 3 249.402 3.286 20 0 BGADHN Cc1ccc([C@H](NC[C@@H]2CCCO2)C2CCC2)o1 ZINC000541748605 323146438 /nfs/dbraw/zinc/14/64/38/323146438.db2.gz APYFMEZXBUWWQQ-DZGCQCFKSA-N 0 3 249.354 3.198 20 0 BGADHN Cc1ccc([C@@H](NC[C@@H]2CCCO2)C2CCC2)o1 ZINC000541748606 323146467 /nfs/dbraw/zinc/14/64/67/323146467.db2.gz APYFMEZXBUWWQQ-ZFWWWQNUSA-N 0 3 249.354 3.198 20 0 BGADHN C[C@@H]1CCCN1C/C=C/c1ccc(F)cc1F ZINC000541773129 388867719 /nfs/dbraw/zinc/86/77/19/388867719.db2.gz RKDBMBFJYQRZGG-JOAKQRRISA-N 0 3 237.293 3.462 20 0 BGADHN C[C@H]1CCCN1C/C=C\c1ccc(F)cc1F ZINC000541773130 388867483 /nfs/dbraw/zinc/86/74/83/388867483.db2.gz RKDBMBFJYQRZGG-MZBZXASESA-N 0 3 237.293 3.462 20 0 BGADHN C[C@H]1CCCN1C/C=C/c1ccc(F)cc1F ZINC000541773131 388866964 /nfs/dbraw/zinc/86/69/64/388866964.db2.gz RKDBMBFJYQRZGG-TZNOJPMFSA-N 0 3 237.293 3.462 20 0 BGADHN C[C@@H]1CCCN1C/C=C\c1ccc(F)cc1F ZINC000541773132 388867203 /nfs/dbraw/zinc/86/72/03/388867203.db2.gz RKDBMBFJYQRZGG-USEMIUTHSA-N 0 3 237.293 3.462 20 0 BGADHN C[C@]1(F)CCN(C[C@H]2CCc3ccccc3C2)C1 ZINC000541985125 364056940 /nfs/dbraw/zinc/05/69/40/364056940.db2.gz WUKNRMKSVWTRGS-BBRMVZONSA-N 0 3 247.357 3.225 20 0 BGADHN C[C@]1(F)CCN(C[C@@H]2CCc3ccccc3C2)C1 ZINC000541985127 364056960 /nfs/dbraw/zinc/05/69/60/364056960.db2.gz WUKNRMKSVWTRGS-CJNGLKHVSA-N 0 3 247.357 3.225 20 0 BGADHN C[C@@]1(F)CCN(C[C@@H]2CCc3ccccc3C2)C1 ZINC000541985129 364056847 /nfs/dbraw/zinc/05/68/47/364056847.db2.gz WUKNRMKSVWTRGS-CZUORRHYSA-N 0 3 247.357 3.225 20 0 BGADHN C[C@@]1(F)CCN(C[C@H]2CCc3ccccc3C2)C1 ZINC000541985131 364056696 /nfs/dbraw/zinc/05/66/96/364056696.db2.gz WUKNRMKSVWTRGS-XJKSGUPXSA-N 0 3 247.357 3.225 20 0 BGADHN CCCCCN1Cc2ccccc2OC[C@H]1C ZINC000542014923 323186084 /nfs/dbraw/zinc/18/60/84/323186084.db2.gz ABAAEPFYEPDSNP-CYBMUJFWSA-N 0 3 233.355 3.460 20 0 BGADHN CCCCCN1Cc2ccccc2OC[C@@H]1C ZINC000542014925 323186143 /nfs/dbraw/zinc/18/61/43/323186143.db2.gz ABAAEPFYEPDSNP-ZDUSSCGKSA-N 0 3 233.355 3.460 20 0 BGADHN CCc1cnc(CN2C[C@H](C)[C@@H]3CCCC[C@H]32)o1 ZINC000542048454 325006121 /nfs/dbraw/zinc/00/61/21/325006121.db2.gz WZKPFEAULKRDQF-FPMFFAJLSA-N 0 3 248.370 3.248 20 0 BGADHN CCc1cnc(CN2C[C@H](C)[C@H]3CCCC[C@H]32)o1 ZINC000542048458 325006101 /nfs/dbraw/zinc/00/61/01/325006101.db2.gz WZKPFEAULKRDQF-IACUBPJLSA-N 0 3 248.370 3.248 20 0 BGADHN CCc1cnc(CN2C[C@H](C)[C@@H]3CCCC[C@@H]32)o1 ZINC000542048462 325005872 /nfs/dbraw/zinc/00/58/72/325005872.db2.gz WZKPFEAULKRDQF-UBHSHLNASA-N 0 3 248.370 3.248 20 0 BGADHN CCc1cnc(CN2C[C@H](C)[C@H]3CCCC[C@@H]32)o1 ZINC000542048463 325006018 /nfs/dbraw/zinc/00/60/18/325006018.db2.gz WZKPFEAULKRDQF-YUTCNCBUSA-N 0 3 248.370 3.248 20 0 BGADHN CC1=CCN([C@H](C)Cc2ccsc2)CC1 ZINC000542166814 325012165 /nfs/dbraw/zinc/01/21/65/325012165.db2.gz CHSLRCBTKCHKPI-GFCCVEGCSA-N 0 3 221.369 3.331 20 0 BGADHN CC1=CCN([C@@H](C)Cc2ccsc2)CC1 ZINC000542166815 325011778 /nfs/dbraw/zinc/01/17/78/325011778.db2.gz CHSLRCBTKCHKPI-LBPRGKRZSA-N 0 3 221.369 3.331 20 0 BGADHN Cc1ccc(CCCN2C[C@H](C)OC[C@H]2C)cc1 ZINC000542209851 325015876 /nfs/dbraw/zinc/01/58/76/325015876.db2.gz OMSHODWXOGFDFP-CABCVRRESA-N 0 3 247.382 3.037 20 0 BGADHN Cc1ccc(CCCN2C[C@H](C)OC[C@@H]2C)cc1 ZINC000542209853 325015855 /nfs/dbraw/zinc/01/58/55/325015855.db2.gz OMSHODWXOGFDFP-GJZGRUSLSA-N 0 3 247.382 3.037 20 0 BGADHN Cc1ccc(CCCN2C[C@@H](C)OC[C@H]2C)cc1 ZINC000542209855 325015933 /nfs/dbraw/zinc/01/59/33/325015933.db2.gz OMSHODWXOGFDFP-HUUCEWRRSA-N 0 3 247.382 3.037 20 0 BGADHN Cc1ccc(CCCN2C[C@@H](C)OC[C@@H]2C)cc1 ZINC000542209856 325015921 /nfs/dbraw/zinc/01/59/21/325015921.db2.gz OMSHODWXOGFDFP-LSDHHAIUSA-N 0 3 247.382 3.037 20 0 BGADHN Fc1cccc(CCN2CCCCCC2)c1F ZINC000542210002 325015657 /nfs/dbraw/zinc/01/56/57/325015657.db2.gz RSGADYLARWZUAN-UHFFFAOYSA-N 0 3 239.309 3.383 20 0 BGADHN Cc1ccc(CCCN2CC[C@](C)(F)C2)cc1 ZINC000542266796 325017810 /nfs/dbraw/zinc/01/78/10/325017810.db2.gz DCZMFEWCQLRTEZ-HNNXBMFYSA-N 0 3 235.346 3.362 20 0 BGADHN Cc1ccc(CCCN2CC[C@@](C)(F)C2)cc1 ZINC000542266797 325018065 /nfs/dbraw/zinc/01/80/65/325018065.db2.gz DCZMFEWCQLRTEZ-OAHLLOKOSA-N 0 3 235.346 3.362 20 0 BGADHN CC[C@@H]1CCCN1CCc1cccc(F)c1F ZINC000542279026 325018729 /nfs/dbraw/zinc/01/87/29/325018729.db2.gz CVAJSPJQJZRVID-GFCCVEGCSA-N 0 3 239.309 3.382 20 0 BGADHN CC[C@H]1CCCN1CCc1cccc(F)c1F ZINC000542279027 325018507 /nfs/dbraw/zinc/01/85/07/325018507.db2.gz CVAJSPJQJZRVID-LBPRGKRZSA-N 0 3 239.309 3.382 20 0 BGADHN CC[C@H]1COCCN1CCCc1ccc(C)cc1 ZINC000542279155 325018927 /nfs/dbraw/zinc/01/89/27/325018927.db2.gz MPPJUKMTFNYYNY-INIZCTEOSA-N 0 3 247.382 3.038 20 0 BGADHN CC[C@@H]1COCCN1CCCc1ccc(C)cc1 ZINC000542279156 325018880 /nfs/dbraw/zinc/01/88/80/325018880.db2.gz MPPJUKMTFNYYNY-MRXNPFEDSA-N 0 3 247.382 3.038 20 0 BGADHN CC[C@@H]1CCN(CCc2cccc(F)c2F)C1 ZINC000542281805 325018841 /nfs/dbraw/zinc/01/88/41/325018841.db2.gz KSWPTPLEHSHLRD-LLVKDONJSA-N 0 3 239.309 3.239 20 0 BGADHN CC[C@H]1CCN(CCc2cccc(F)c2F)C1 ZINC000542281806 325018601 /nfs/dbraw/zinc/01/86/01/325018601.db2.gz KSWPTPLEHSHLRD-NSHDSACASA-N 0 3 239.309 3.239 20 0 BGADHN C(CN1CCO[C@H](C2CCCCC2)C1)C1CC1 ZINC000542648989 325038738 /nfs/dbraw/zinc/03/87/38/325038738.db2.gz RSSMKWKACNUUJE-HNNXBMFYSA-N 0 3 237.387 3.068 20 0 BGADHN C(CN1CCO[C@@H](C2CCCCC2)C1)C1CC1 ZINC000542648993 325038834 /nfs/dbraw/zinc/03/88/34/325038834.db2.gz RSSMKWKACNUUJE-OAHLLOKOSA-N 0 3 237.387 3.068 20 0 BGADHN CC[C@H](N[C@@H]1CCCCC1(C)C)c1ccn(C)n1 ZINC000542662012 325039679 /nfs/dbraw/zinc/03/96/79/325039679.db2.gz NYEOQFJVVAJYSL-GXTWGEPZSA-N 0 3 249.402 3.430 20 0 BGADHN CC[C@H](N[C@H]1CCCCC1(C)C)c1ccn(C)n1 ZINC000542662040 325039712 /nfs/dbraw/zinc/03/97/12/325039712.db2.gz NYEOQFJVVAJYSL-JSGCOSHPSA-N 0 3 249.402 3.430 20 0 BGADHN CC[C@@H](N[C@H]1CCCCC1(C)C)c1ccn(C)n1 ZINC000542662041 325039427 /nfs/dbraw/zinc/03/94/27/325039427.db2.gz NYEOQFJVVAJYSL-OCCSQVGLSA-N 0 3 249.402 3.430 20 0 BGADHN CC[C@@H](N[C@@H]1CCCCC1(C)C)c1ccn(C)n1 ZINC000542662042 325039761 /nfs/dbraw/zinc/03/97/61/325039761.db2.gz NYEOQFJVVAJYSL-TZMCWYRMSA-N 0 3 249.402 3.430 20 0 BGADHN CC[C@H](N[C@H]1CCCC1(C)C)c1ccn(C)n1 ZINC000542664953 325039464 /nfs/dbraw/zinc/03/94/64/325039464.db2.gz XYTFHAGASJNDJX-AAEUAGOBSA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@@H](N[C@@H]1CCCC1(C)C)c1ccn(C)n1 ZINC000542664954 325039406 /nfs/dbraw/zinc/03/94/06/325039406.db2.gz XYTFHAGASJNDJX-DGCLKSJQSA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@H](N[C@@H]1CCCC1(C)C)c1ccn(C)n1 ZINC000542664955 325040298 /nfs/dbraw/zinc/04/02/98/325040298.db2.gz XYTFHAGASJNDJX-WCQYABFASA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@@H](N[C@H]1CCCC1(C)C)c1ccn(C)n1 ZINC000542664956 325040439 /nfs/dbraw/zinc/04/04/39/325040439.db2.gz XYTFHAGASJNDJX-YPMHNXCESA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@H](N[C@H]1CC[C@H](C)CC1)c1ccn(C)n1 ZINC000542667689 325040278 /nfs/dbraw/zinc/04/02/78/325040278.db2.gz VSMLDEFEHVPSTA-AVGNSLFASA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@@H](N[C@H]1CC[C@H](C)CC1)c1ccn(C)n1 ZINC000542667690 325040256 /nfs/dbraw/zinc/04/02/56/325040256.db2.gz VSMLDEFEHVPSTA-JHJVBQTASA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@H](NC[C@H]1CCC[C@H](C)C1)c1ccn(C)n1 ZINC000542669074 325040063 /nfs/dbraw/zinc/04/00/63/325040063.db2.gz SIEGKKNOXORVSW-IHRRRGAJSA-N 0 3 249.402 3.287 20 0 BGADHN CC[C@H](NC[C@@H]1CCC[C@@H](C)C1)c1ccn(C)n1 ZINC000542669075 325040335 /nfs/dbraw/zinc/04/03/35/325040335.db2.gz SIEGKKNOXORVSW-MCIONIFRSA-N 0 3 249.402 3.287 20 0 BGADHN CC[C@H](NC[C@@H]1CCC[C@H](C)C1)c1ccn(C)n1 ZINC000542669076 325040358 /nfs/dbraw/zinc/04/03/58/325040358.db2.gz SIEGKKNOXORVSW-MJBXVCDLSA-N 0 3 249.402 3.287 20 0 BGADHN CC[C@H](NC[C@H]1CCC[C@@H](C)C1)c1ccn(C)n1 ZINC000542669077 325040226 /nfs/dbraw/zinc/04/02/26/325040226.db2.gz SIEGKKNOXORVSW-RDBSUJKOSA-N 0 3 249.402 3.287 20 0 BGADHN CC[C@@H](NCC1CCCCC1)c1ccn(C)n1 ZINC000542673124 325040818 /nfs/dbraw/zinc/04/08/18/325040818.db2.gz IDEVXWYUYRTYBK-CYBMUJFWSA-N 0 3 235.375 3.041 20 0 BGADHN CC[C@H](NCC1CCCCC1)c1ccn(C)n1 ZINC000542673125 325038843 /nfs/dbraw/zinc/03/88/43/325038843.db2.gz IDEVXWYUYRTYBK-ZDUSSCGKSA-N 0 3 235.375 3.041 20 0 BGADHN CC[C@H](NCCCC1CCCC1)c1ccn(C)n1 ZINC000542673570 325041031 /nfs/dbraw/zinc/04/10/31/325041031.db2.gz ITUHRPFGSCFESM-AWEZNQCLSA-N 0 3 249.402 3.431 20 0 BGADHN CC[C@@H](NCCCC1CCCC1)c1ccn(C)n1 ZINC000542673572 325041015 /nfs/dbraw/zinc/04/10/15/325041015.db2.gz ITUHRPFGSCFESM-CQSZACIVSA-N 0 3 249.402 3.431 20 0 BGADHN CC[C@@H](NC1CCCCCC1)c1ccn(C)n1 ZINC000542674223 325041692 /nfs/dbraw/zinc/04/16/92/325041692.db2.gz PQCLTAAVFYJIBB-CYBMUJFWSA-N 0 3 235.375 3.184 20 0 BGADHN CC[C@H](NC1CCCCCC1)c1ccn(C)n1 ZINC000542674225 325041545 /nfs/dbraw/zinc/04/15/45/325041545.db2.gz PQCLTAAVFYJIBB-ZDUSSCGKSA-N 0 3 235.375 3.184 20 0 BGADHN C[C@@H]1CCN(C/C=C/c2ccc(F)cc2F)C1 ZINC000542701345 325042570 /nfs/dbraw/zinc/04/25/70/325042570.db2.gz CRZXDHULCWVVRC-KXMPLOMGSA-N 0 3 237.293 3.320 20 0 BGADHN C[C@@H]1CCN(C/C=C\c2ccc(F)cc2F)C1 ZINC000542701347 325042385 /nfs/dbraw/zinc/04/23/85/325042385.db2.gz CRZXDHULCWVVRC-OTDNITJGSA-N 0 3 237.293 3.320 20 0 BGADHN C[C@H]1CCN(C/C=C\c2ccc(F)cc2F)C1 ZINC000542701348 325042119 /nfs/dbraw/zinc/04/21/19/325042119.db2.gz CRZXDHULCWVVRC-QUCGXOGASA-N 0 3 237.293 3.320 20 0 BGADHN C[C@H]1CCN(C/C=C/c2ccc(F)cc2F)C1 ZINC000542701349 325042655 /nfs/dbraw/zinc/04/26/55/325042655.db2.gz CRZXDHULCWVVRC-VUDBWIFFSA-N 0 3 237.293 3.320 20 0 BGADHN CC[C@@H](NC1(COC)CC1)c1ccccc1F ZINC000542776764 323518902 /nfs/dbraw/zinc/51/89/02/323518902.db2.gz AKXJCMODGDFGBV-CYBMUJFWSA-N 0 3 237.318 3.045 20 0 BGADHN CC[C@H](NC1(COC)CC1)c1ccccc1F ZINC000542776765 323518612 /nfs/dbraw/zinc/51/86/12/323518612.db2.gz AKXJCMODGDFGBV-ZDUSSCGKSA-N 0 3 237.318 3.045 20 0 BGADHN C[C@@H]1COc2ccccc2CN1CC(C)(C)C ZINC000543070651 325069660 /nfs/dbraw/zinc/06/96/60/325069660.db2.gz AVZUCVWIZDUPBD-GFCCVEGCSA-N 0 3 233.355 3.316 20 0 BGADHN C[C@H]1COc2ccccc2CN1CC(C)(C)C ZINC000543070652 325069406 /nfs/dbraw/zinc/06/94/06/325069406.db2.gz AVZUCVWIZDUPBD-LBPRGKRZSA-N 0 3 233.355 3.316 20 0 BGADHN C[C@@H](Cc1ccsc1)N1CC[C@@](C)(F)C1 ZINC000543082373 325070140 /nfs/dbraw/zinc/07/01/40/325070140.db2.gz BHEQNEBQUXLVJE-CMPLNLGQSA-N 0 3 227.348 3.113 20 0 BGADHN C[C@@H](Cc1ccsc1)N1CC[C@](C)(F)C1 ZINC000543082376 325070163 /nfs/dbraw/zinc/07/01/63/325070163.db2.gz BHEQNEBQUXLVJE-JQWIXIFHSA-N 0 3 227.348 3.113 20 0 BGADHN C[C@H](Cc1ccsc1)N1CC[C@](C)(F)C1 ZINC000543082377 325070124 /nfs/dbraw/zinc/07/01/24/325070124.db2.gz BHEQNEBQUXLVJE-PWSUYJOCSA-N 0 3 227.348 3.113 20 0 BGADHN C[C@H](Cc1ccsc1)N1CC[C@@](C)(F)C1 ZINC000543082378 325070527 /nfs/dbraw/zinc/07/05/27/325070527.db2.gz BHEQNEBQUXLVJE-ZYHUDNBSSA-N 0 3 227.348 3.113 20 0 BGADHN C[C@H](Cc1ccsc1)N1CCS[C@H](C)C1 ZINC000543088002 325071292 /nfs/dbraw/zinc/07/12/92/325071292.db2.gz XXESGMLTMLKYAN-GHMZBOCLSA-N 0 3 241.425 3.116 20 0 BGADHN C[C@@H](Cc1ccsc1)N1CCS[C@H](C)C1 ZINC000543088005 325071224 /nfs/dbraw/zinc/07/12/24/325071224.db2.gz XXESGMLTMLKYAN-WDEREUQCSA-N 0 3 241.425 3.116 20 0 BGADHN CC1CCN(CCc2cccc(F)c2F)CC1 ZINC000543139942 325073913 /nfs/dbraw/zinc/07/39/13/325073913.db2.gz GLXUBHDHQJAPKX-UHFFFAOYSA-N 0 3 239.309 3.239 20 0 BGADHN CCc1cnc(CN2CC[C@@H](C(C)(C)C)C2)o1 ZINC000543250488 325078698 /nfs/dbraw/zinc/07/86/98/325078698.db2.gz YDZRHUJXIKCYPI-LLVKDONJSA-N 0 3 236.359 3.105 20 0 BGADHN CCc1cnc(CN2CC[C@H](C(C)(C)C)C2)o1 ZINC000543250489 325078773 /nfs/dbraw/zinc/07/87/73/325078773.db2.gz YDZRHUJXIKCYPI-NSHDSACASA-N 0 3 236.359 3.105 20 0 BGADHN CCn1cc(CN(C)C[C@H]2CCCC[C@@H]2C)cn1 ZINC000543394740 325086231 /nfs/dbraw/zinc/08/62/31/325086231.db2.gz ZRQLRNIRWFQXQO-DZGCQCFKSA-N 0 3 249.402 3.161 20 0 BGADHN CCn1cc(CN(C)C[C@@H]2CCCC[C@H]2C)cn1 ZINC000543394743 325086207 /nfs/dbraw/zinc/08/62/07/325086207.db2.gz ZRQLRNIRWFQXQO-HIFRSBDPSA-N 0 3 249.402 3.161 20 0 BGADHN CCn1cc(CN(C)C[C@H]2CCCC[C@H]2C)cn1 ZINC000543394745 325085870 /nfs/dbraw/zinc/08/58/70/325085870.db2.gz ZRQLRNIRWFQXQO-UKRRQHHQSA-N 0 3 249.402 3.161 20 0 BGADHN CCn1cc(CN(C)C[C@@H]2CCCC[C@@H]2C)cn1 ZINC000543394746 325085882 /nfs/dbraw/zinc/08/58/82/325085882.db2.gz ZRQLRNIRWFQXQO-ZFWWWQNUSA-N 0 3 249.402 3.161 20 0 BGADHN CCC(CC)n1ccc(CNC2(C3CC3)CC2)n1 ZINC000543453887 325089639 /nfs/dbraw/zinc/08/96/39/325089639.db2.gz TVDMPZQCGLXLGV-UHFFFAOYSA-N 0 3 247.386 3.276 20 0 BGADHN c1ccc2sc(CNC3(C4CC4)CC3)nc2c1 ZINC000543455033 325089603 /nfs/dbraw/zinc/08/96/03/325089603.db2.gz PYBNNGLURVRGTA-UHFFFAOYSA-N 0 3 244.363 3.329 20 0 BGADHN C[C@H](NCc1ccno1)[C@@H](C)C1CCCCC1 ZINC000543463734 325090881 /nfs/dbraw/zinc/09/08/81/325090881.db2.gz PISJVMDMGNTSAF-NEPJUHHUSA-N 0 3 236.359 3.369 20 0 BGADHN C[C@@H](NCc1ccno1)[C@H](C)C1CCCCC1 ZINC000543463735 325091004 /nfs/dbraw/zinc/09/10/04/325091004.db2.gz PISJVMDMGNTSAF-NWDGAFQWSA-N 0 3 236.359 3.369 20 0 BGADHN C[C@@H]([C@H](C)NCc1ccno1)C1CCCCC1 ZINC000543463736 325090715 /nfs/dbraw/zinc/09/07/15/325090715.db2.gz PISJVMDMGNTSAF-RYUDHWBXSA-N 0 3 236.359 3.369 20 0 BGADHN C[C@@H](NCc1ccno1)[C@@H](C)C1CCCCC1 ZINC000543463737 325090798 /nfs/dbraw/zinc/09/07/98/325090798.db2.gz PISJVMDMGNTSAF-VXGBXAGGSA-N 0 3 236.359 3.369 20 0 BGADHN CC[C@H](N[C@H]1CCC[C@@H](C)C1)c1ccn(C)n1 ZINC000543592550 325094678 /nfs/dbraw/zinc/09/46/78/325094678.db2.gz XOGGBUKQIQYOFQ-AGIUHOORSA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@H](N[C@H]1CCC[C@H](C)C1)c1ccn(C)n1 ZINC000543592551 325094278 /nfs/dbraw/zinc/09/42/78/325094278.db2.gz XOGGBUKQIQYOFQ-AVGNSLFASA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@H](N[C@@H]1CCC[C@@H](C)C1)c1ccn(C)n1 ZINC000543592552 325094458 /nfs/dbraw/zinc/09/44/58/325094458.db2.gz XOGGBUKQIQYOFQ-UPJWGTAASA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@H](N[C@@H]1CCC[C@H](C)C1)c1ccn(C)n1 ZINC000543592553 325094663 /nfs/dbraw/zinc/09/46/63/325094663.db2.gz XOGGBUKQIQYOFQ-XQQFMLRXSA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@@H](NC1CCC(C)(C)CC1)c1ccn(C)n1 ZINC000543592721 325095977 /nfs/dbraw/zinc/09/59/77/325095977.db2.gz BCQDPTPOHPRAJJ-CYBMUJFWSA-N 0 3 249.402 3.430 20 0 BGADHN CC[C@H](NC1CCC(C)(C)CC1)c1ccn(C)n1 ZINC000543592722 325095796 /nfs/dbraw/zinc/09/57/96/325095796.db2.gz BCQDPTPOHPRAJJ-ZDUSSCGKSA-N 0 3 249.402 3.430 20 0 BGADHN CC[C@H](N[C@H]1CCC[C@H]1CC)c1ccn(C)n1 ZINC000543596961 325095911 /nfs/dbraw/zinc/09/59/11/325095911.db2.gz ZHVUERVSVDYPOF-AGIUHOORSA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@H](N[C@H]1CCC[C@@H]1CC)c1ccn(C)n1 ZINC000543596963 325095882 /nfs/dbraw/zinc/09/58/82/325095882.db2.gz ZHVUERVSVDYPOF-AVGNSLFASA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@H](N[C@@H]1CCC[C@H]1CC)c1ccn(C)n1 ZINC000543596964 325095858 /nfs/dbraw/zinc/09/58/58/325095858.db2.gz ZHVUERVSVDYPOF-FRRDWIJNSA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@H](N[C@@H]1CCC[C@@H]1CC)c1ccn(C)n1 ZINC000543596966 325095601 /nfs/dbraw/zinc/09/56/01/325095601.db2.gz ZHVUERVSVDYPOF-RWMBFGLXSA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@H](NCCC1=CCCCC1)c1ccn(C)n1 ZINC000543601543 325096410 /nfs/dbraw/zinc/09/64/10/325096410.db2.gz LWPOPONIYWYAQS-AWEZNQCLSA-N 0 3 247.386 3.351 20 0 BGADHN CC[C@@H](NCCC1=CCCCC1)c1ccn(C)n1 ZINC000543601544 325096659 /nfs/dbraw/zinc/09/66/59/325096659.db2.gz LWPOPONIYWYAQS-CQSZACIVSA-N 0 3 247.386 3.351 20 0 BGADHN CC[C@@H](NCCC1CCCC1)c1ccn(C)n1 ZINC000543601806 325096541 /nfs/dbraw/zinc/09/65/41/325096541.db2.gz ZJNASSBPZULQEG-CYBMUJFWSA-N 0 3 235.375 3.041 20 0 BGADHN CC[C@H](NCCC1CCCC1)c1ccn(C)n1 ZINC000543601810 325096448 /nfs/dbraw/zinc/09/64/48/325096448.db2.gz ZJNASSBPZULQEG-ZDUSSCGKSA-N 0 3 235.375 3.041 20 0 BGADHN COCCCN[C@H](c1ccc(C)o1)C1CCC1 ZINC000543605955 323925056 /nfs/dbraw/zinc/92/50/56/323925056.db2.gz YCLMBJDBMMRCBP-AWEZNQCLSA-N 0 3 237.343 3.055 20 0 BGADHN COCCCN[C@@H](c1ccc(C)o1)C1CCC1 ZINC000543605956 323925143 /nfs/dbraw/zinc/92/51/43/323925143.db2.gz YCLMBJDBMMRCBP-CQSZACIVSA-N 0 3 237.343 3.055 20 0 BGADHN C[C@H](NC1C2CC3CC(C2)CC1C3)c1ccon1 ZINC000543626553 325098477 /nfs/dbraw/zinc/09/84/77/325098477.db2.gz GIWXLNAPWTVFHM-HQODWTRASA-N 0 3 246.354 3.150 20 0 BGADHN C[C@@H](NC1C2CC3CC(C2)CC1C3)c1ccon1 ZINC000543626554 325098507 /nfs/dbraw/zinc/09/85/07/325098507.db2.gz GIWXLNAPWTVFHM-LHALRJPCSA-N 0 3 246.354 3.150 20 0 BGADHN CCc1cc(CN[C@@H]2CCCC[C@H]2CC)on1 ZINC000543719326 325104613 /nfs/dbraw/zinc/10/46/13/325104613.db2.gz AXLGFSWEZGRRSD-BXUZGUMPSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1cc(CN[C@H]2CCCC[C@@H]2CC)on1 ZINC000543719327 325104650 /nfs/dbraw/zinc/10/46/50/325104650.db2.gz AXLGFSWEZGRRSD-FZMZJTMJSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1cc(CN[C@H]2CCCC[C@H]2CC)on1 ZINC000543719328 325104962 /nfs/dbraw/zinc/10/49/62/325104962.db2.gz AXLGFSWEZGRRSD-RISCZKNCSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1cc(CN[C@@H]2CCCC[C@@H]2CC)on1 ZINC000543719329 325104447 /nfs/dbraw/zinc/10/44/47/325104447.db2.gz AXLGFSWEZGRRSD-SMDDNHRTSA-N 0 3 236.359 3.295 20 0 BGADHN CCCCCN1CCc2c(cccc2OC)C1 ZINC000543872082 325120205 /nfs/dbraw/zinc/12/02/05/325120205.db2.gz KHZCTODBNYTFAK-UHFFFAOYSA-N 0 3 233.355 3.244 20 0 BGADHN C[C@H]1COc2ccccc2CN1[C@@H]1C=CCCC1 ZINC000543876900 325120326 /nfs/dbraw/zinc/12/03/26/325120326.db2.gz JDMSFOPXFXFIFE-DZGCQCFKSA-N 0 3 243.350 3.378 20 0 BGADHN C[C@@H]1COc2ccccc2CN1[C@H]1C=CCCC1 ZINC000543876901 325119330 /nfs/dbraw/zinc/11/93/30/325119330.db2.gz JDMSFOPXFXFIFE-HIFRSBDPSA-N 0 3 243.350 3.378 20 0 BGADHN C[C@@H]1COc2ccccc2CN1[C@@H]1C=CCCC1 ZINC000543876902 325119530 /nfs/dbraw/zinc/11/95/30/325119530.db2.gz JDMSFOPXFXFIFE-UKRRQHHQSA-N 0 3 243.350 3.378 20 0 BGADHN C[C@H]1COc2ccccc2CN1[C@H]1C=CCCC1 ZINC000543876903 325120235 /nfs/dbraw/zinc/12/02/35/325120235.db2.gz JDMSFOPXFXFIFE-ZFWWWQNUSA-N 0 3 243.350 3.378 20 0 BGADHN CC(C)Cn1cc(CN2CC[C@H](C(C)C)C2)cn1 ZINC000544021302 325127459 /nfs/dbraw/zinc/12/74/59/325127459.db2.gz UPNBLZDXQZNZLC-HNNXBMFYSA-N 0 3 249.402 3.017 20 0 BGADHN CC(C)Cn1cc(CN2CC[C@@H](C(C)C)C2)cn1 ZINC000544021303 325127479 /nfs/dbraw/zinc/12/74/79/325127479.db2.gz UPNBLZDXQZNZLC-OAHLLOKOSA-N 0 3 249.402 3.017 20 0 BGADHN COCCN(C)[C@H](C)c1ccc(C(C)C)cc1 ZINC000544070475 325129765 /nfs/dbraw/zinc/12/97/65/325129765.db2.gz BTYPJCJUZBYYCN-CYBMUJFWSA-N 0 3 235.371 3.449 20 0 BGADHN COCCN(C)[C@@H](C)c1ccc(C(C)C)cc1 ZINC000544070476 325129689 /nfs/dbraw/zinc/12/96/89/325129689.db2.gz BTYPJCJUZBYYCN-ZDUSSCGKSA-N 0 3 235.371 3.449 20 0 BGADHN CC[C@H]1CN(CCCc2ccc(C)cc2)CCO1 ZINC000544070672 325129979 /nfs/dbraw/zinc/12/99/79/325129979.db2.gz IZSNOCUWIFGZTC-INIZCTEOSA-N 0 3 247.382 3.038 20 0 BGADHN CC[C@@H]1CN(CCCc2ccc(C)cc2)CCO1 ZINC000544070673 325129654 /nfs/dbraw/zinc/12/96/54/325129654.db2.gz IZSNOCUWIFGZTC-MRXNPFEDSA-N 0 3 247.382 3.038 20 0 BGADHN C[C@@H]1CCCCN1CCc1cccc(F)c1F ZINC000544071771 325129910 /nfs/dbraw/zinc/12/99/10/325129910.db2.gz GRAHCEUDKQKMQD-LLVKDONJSA-N 0 3 239.309 3.382 20 0 BGADHN C[C@H]1CCCCN1CCc1cccc(F)c1F ZINC000544071772 325129820 /nfs/dbraw/zinc/12/98/20/325129820.db2.gz GRAHCEUDKQKMQD-NSHDSACASA-N 0 3 239.309 3.382 20 0 BGADHN Cc1ccc(CCCN2CCO[C@@H](C)[C@H]2C)cc1 ZINC000544144284 325132567 /nfs/dbraw/zinc/13/25/67/325132567.db2.gz QOBGGCFWSQVIOW-CABCVRRESA-N 0 3 247.382 3.037 20 0 BGADHN Cc1ccc(CCCN2CCO[C@@H](C)[C@@H]2C)cc1 ZINC000544144285 325132873 /nfs/dbraw/zinc/13/28/73/325132873.db2.gz QOBGGCFWSQVIOW-GJZGRUSLSA-N 0 3 247.382 3.037 20 0 BGADHN Cc1ccc(CCCN2CCO[C@H](C)[C@H]2C)cc1 ZINC000544144286 325132740 /nfs/dbraw/zinc/13/27/40/325132740.db2.gz QOBGGCFWSQVIOW-HUUCEWRRSA-N 0 3 247.382 3.037 20 0 BGADHN Cc1ccc(CCCN2CCO[C@H](C)[C@@H]2C)cc1 ZINC000544144288 325132580 /nfs/dbraw/zinc/13/25/80/325132580.db2.gz QOBGGCFWSQVIOW-LSDHHAIUSA-N 0 3 247.382 3.037 20 0 BGADHN CC1(C)CCN(CCc2cccc(F)c2F)C1 ZINC000544147476 325131339 /nfs/dbraw/zinc/13/13/39/325131339.db2.gz LKWDUBFAQPWJGF-UHFFFAOYSA-N 0 3 239.309 3.239 20 0 BGADHN CCc1cnc(CN2C[C@H](C)C[C@H]2CC)s1 ZINC000544350985 325138955 /nfs/dbraw/zinc/13/89/55/325138955.db2.gz JZUAKJJMJDHSLB-GHMZBOCLSA-N 0 3 238.400 3.326 20 0 BGADHN CCc1cnc(CN2C[C@H](C)C[C@@H]2CC)s1 ZINC000544350986 325138918 /nfs/dbraw/zinc/13/89/18/325138918.db2.gz JZUAKJJMJDHSLB-MNOVXSKESA-N 0 3 238.400 3.326 20 0 BGADHN CCc1cnc(CN2C[C@@H](C)C[C@@H]2CC)s1 ZINC000544350987 325139092 /nfs/dbraw/zinc/13/90/92/325139092.db2.gz JZUAKJJMJDHSLB-QWRGUYRKSA-N 0 3 238.400 3.326 20 0 BGADHN CCc1cnc(CN2C[C@@H](C)C[C@H]2CC)s1 ZINC000544350988 325139325 /nfs/dbraw/zinc/13/93/25/325139325.db2.gz JZUAKJJMJDHSLB-WDEREUQCSA-N 0 3 238.400 3.326 20 0 BGADHN c1cn(C2CCCC2)nc1CNC1(C2CC2)CC1 ZINC000544415352 325142217 /nfs/dbraw/zinc/14/22/17/325142217.db2.gz LKMQAMPOLPXROA-UHFFFAOYSA-N 0 3 245.370 3.030 20 0 BGADHN CC[C@@H](N[C@H]1CCC[C@@H](CC)C1)c1ccn(C)n1 ZINC000544568812 325149194 /nfs/dbraw/zinc/14/91/94/325149194.db2.gz BMXGNXDSIGDSEZ-HZSPNIEDSA-N 0 3 249.402 3.430 20 0 BGADHN CC[C@H](N[C@@H]1CCC[C@@H](CC)C1)c1ccn(C)n1 ZINC000544568813 325149087 /nfs/dbraw/zinc/14/90/87/325149087.db2.gz BMXGNXDSIGDSEZ-MCIONIFRSA-N 0 3 249.402 3.430 20 0 BGADHN CC[C@@H](N[C@@H]1CCC[C@@H](CC)C1)c1ccn(C)n1 ZINC000544568814 325149354 /nfs/dbraw/zinc/14/93/54/325149354.db2.gz BMXGNXDSIGDSEZ-MGPQQGTHSA-N 0 3 249.402 3.430 20 0 BGADHN CC[C@H](N[C@H]1CCC[C@@H](CC)C1)c1ccn(C)n1 ZINC000544568815 325149050 /nfs/dbraw/zinc/14/90/50/325149050.db2.gz BMXGNXDSIGDSEZ-RDBSUJKOSA-N 0 3 249.402 3.430 20 0 BGADHN Cc1ccc([C@@H](NCC2(C)COC2)C2CCC2)o1 ZINC000544568939 325148905 /nfs/dbraw/zinc/14/89/05/325148905.db2.gz LMMPIMUPFQHNLY-AWEZNQCLSA-N 0 3 249.354 3.055 20 0 BGADHN Cc1ccc([C@H](NCC2(C)COC2)C2CCC2)o1 ZINC000544568940 325149246 /nfs/dbraw/zinc/14/92/46/325149246.db2.gz LMMPIMUPFQHNLY-CQSZACIVSA-N 0 3 249.354 3.055 20 0 BGADHN CC[C@H](NC[C@@H]1CCCC[C@@H]1C)c1ccn(C)n1 ZINC000544570314 325148932 /nfs/dbraw/zinc/14/89/32/325148932.db2.gz OYGJGVHOZAMFGJ-IHRRRGAJSA-N 0 3 249.402 3.287 20 0 BGADHN CC[C@H](NC[C@H]1CCCC[C@H]1C)c1ccn(C)n1 ZINC000544570315 325149013 /nfs/dbraw/zinc/14/90/13/325149013.db2.gz OYGJGVHOZAMFGJ-MCIONIFRSA-N 0 3 249.402 3.287 20 0 BGADHN CC[C@H](NC[C@H]1CCCC[C@@H]1C)c1ccn(C)n1 ZINC000544570317 325149061 /nfs/dbraw/zinc/14/90/61/325149061.db2.gz OYGJGVHOZAMFGJ-MJBXVCDLSA-N 0 3 249.402 3.287 20 0 BGADHN CC[C@H](NC[C@@H]1CCCC[C@H]1C)c1ccn(C)n1 ZINC000544570319 325148811 /nfs/dbraw/zinc/14/88/11/325148811.db2.gz OYGJGVHOZAMFGJ-RDBSUJKOSA-N 0 3 249.402 3.287 20 0 BGADHN CC[C@@H](NCCCC(C)(C)C)c1ccn(C)n1 ZINC000544573978 325149226 /nfs/dbraw/zinc/14/92/26/325149226.db2.gz DWGWCDMEUNUIMD-GFCCVEGCSA-N 0 3 237.391 3.287 20 0 BGADHN CC[C@H](NCCCC(C)(C)C)c1ccn(C)n1 ZINC000544573979 325149160 /nfs/dbraw/zinc/14/91/60/325149160.db2.gz DWGWCDMEUNUIMD-LBPRGKRZSA-N 0 3 237.391 3.287 20 0 BGADHN CC[C@H](N[C@@H]1CCCC[C@H]1CC)c1ccn(C)n1 ZINC000544578654 325149761 /nfs/dbraw/zinc/14/97/61/325149761.db2.gz FPJOPMVBMKHSHL-HZSPNIEDSA-N 0 3 249.402 3.430 20 0 BGADHN CC[C@H](N[C@H]1CCCC[C@@H]1CC)c1ccn(C)n1 ZINC000544578655 325149754 /nfs/dbraw/zinc/14/97/54/325149754.db2.gz FPJOPMVBMKHSHL-IHRRRGAJSA-N 0 3 249.402 3.430 20 0 BGADHN CC[C@H](N[C@@H]1CCCC[C@@H]1CC)c1ccn(C)n1 ZINC000544578656 325149625 /nfs/dbraw/zinc/14/96/25/325149625.db2.gz FPJOPMVBMKHSHL-MELADBBJSA-N 0 3 249.402 3.430 20 0 BGADHN CC[C@H](N[C@H]1CCCC[C@H]1CC)c1ccn(C)n1 ZINC000544578657 325149782 /nfs/dbraw/zinc/14/97/82/325149782.db2.gz FPJOPMVBMKHSHL-RDBSUJKOSA-N 0 3 249.402 3.430 20 0 BGADHN CCOCCN[C@H](c1ccc(C)o1)C1CCC1 ZINC000544579192 325149659 /nfs/dbraw/zinc/14/96/59/325149659.db2.gz MUSXRPBRYBARHN-AWEZNQCLSA-N 0 3 237.343 3.055 20 0 BGADHN CCOCCN[C@@H](c1ccc(C)o1)C1CCC1 ZINC000544579193 325149637 /nfs/dbraw/zinc/14/96/37/325149637.db2.gz MUSXRPBRYBARHN-CQSZACIVSA-N 0 3 237.343 3.055 20 0 BGADHN CC[C@H](N[C@H]1CCCC[C@H]1C)c1ccn(C)n1 ZINC000544580099 364185695 /nfs/dbraw/zinc/18/56/95/364185695.db2.gz ISYFRCJCJCPGBG-AGIUHOORSA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@H](N[C@H]1CCCC[C@@H]1C)c1ccn(C)n1 ZINC000544580100 364186168 /nfs/dbraw/zinc/18/61/68/364186168.db2.gz ISYFRCJCJCPGBG-AVGNSLFASA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@H](N[C@@H]1CCCC[C@H]1C)c1ccn(C)n1 ZINC000544580101 364185658 /nfs/dbraw/zinc/18/56/58/364185658.db2.gz ISYFRCJCJCPGBG-FRRDWIJNSA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@H](N[C@@H]1CCCC[C@@H]1C)c1ccn(C)n1 ZINC000544580102 364185863 /nfs/dbraw/zinc/18/58/63/364185863.db2.gz ISYFRCJCJCPGBG-RWMBFGLXSA-N 0 3 235.375 3.040 20 0 BGADHN COCCN[C@H](c1ccc(C)o1)C1CCCC1 ZINC000544580244 364185783 /nfs/dbraw/zinc/18/57/83/364185783.db2.gz NSXXDAYKYPPMOF-AWEZNQCLSA-N 0 3 237.343 3.055 20 0 BGADHN COCCN[C@@H](c1ccc(C)o1)C1CCCC1 ZINC000544580245 364185910 /nfs/dbraw/zinc/18/59/10/364185910.db2.gz NSXXDAYKYPPMOF-CQSZACIVSA-N 0 3 237.343 3.055 20 0 BGADHN CC[C@@H](N[C@H](C)CCC(C)C)c1ccn(C)n1 ZINC000544582866 325150245 /nfs/dbraw/zinc/15/02/45/325150245.db2.gz FMDVRRBMHDRKJP-CHWSQXEVSA-N 0 3 237.391 3.286 20 0 BGADHN CC[C@H](N[C@H](C)CCC(C)C)c1ccn(C)n1 ZINC000544582868 325150370 /nfs/dbraw/zinc/15/03/70/325150370.db2.gz FMDVRRBMHDRKJP-OLZOCXBDSA-N 0 3 237.391 3.286 20 0 BGADHN CC[C@@H](N[C@@H](C)CCC(C)C)c1ccn(C)n1 ZINC000544582869 325150265 /nfs/dbraw/zinc/15/02/65/325150265.db2.gz FMDVRRBMHDRKJP-QWHCGFSZSA-N 0 3 237.391 3.286 20 0 BGADHN CC[C@H](N[C@@H](C)CCC(C)C)c1ccn(C)n1 ZINC000544582870 325149962 /nfs/dbraw/zinc/14/99/62/325149962.db2.gz FMDVRRBMHDRKJP-STQMWFEESA-N 0 3 237.391 3.286 20 0 BGADHN CCc1ccc(CN2CCCSCC2)s1 ZINC000544598022 325151156 /nfs/dbraw/zinc/15/11/56/325151156.db2.gz UGMYLKLQTBDVOK-UHFFFAOYSA-N 0 3 241.425 3.249 20 0 BGADHN CCN(C/C=C\c1ccc(F)cc1F)C1CC1 ZINC000544610765 325151874 /nfs/dbraw/zinc/15/18/74/325151874.db2.gz DMUAORSUZXRSKN-ARJAWSKDSA-N 0 3 237.293 3.462 20 0 BGADHN CCN(C/C=C/c1ccc(F)cc1F)C1CC1 ZINC000544610769 325151578 /nfs/dbraw/zinc/15/15/78/325151578.db2.gz DMUAORSUZXRSKN-ONEGZZNKSA-N 0 3 237.293 3.462 20 0 BGADHN C[C@@H](CNCc1ccn(C)n1)CC1CCCCC1 ZINC000544613155 325152565 /nfs/dbraw/zinc/15/25/65/325152565.db2.gz RTCSUQNKDXCQFW-CYBMUJFWSA-N 0 3 249.402 3.116 20 0 BGADHN C[C@H](CNCc1ccn(C)n1)CC1CCCCC1 ZINC000544613156 325152633 /nfs/dbraw/zinc/15/26/33/325152633.db2.gz RTCSUQNKDXCQFW-ZDUSSCGKSA-N 0 3 249.402 3.116 20 0 BGADHN CN(C)CCSCC1CCCCCC1 ZINC000544691843 325155046 /nfs/dbraw/zinc/15/50/46/325155046.db2.gz DSGQDCZANDFUAJ-UHFFFAOYSA-N 0 3 215.406 3.252 20 0 BGADHN CC1(C)CC[C@H](N[C@H]2COc3ccc(F)cc32)C1 ZINC000545235544 325198818 /nfs/dbraw/zinc/19/88/18/325198818.db2.gz QDDGSDYCHRKLCG-AAEUAGOBSA-N 0 3 249.329 3.428 20 0 BGADHN CC1(C)CC[C@@H](N[C@@H]2COc3ccc(F)cc32)C1 ZINC000545235545 325199167 /nfs/dbraw/zinc/19/91/67/325199167.db2.gz QDDGSDYCHRKLCG-DGCLKSJQSA-N 0 3 249.329 3.428 20 0 BGADHN CC1(C)CC[C@H](N[C@@H]2COc3ccc(F)cc32)C1 ZINC000545235546 325198869 /nfs/dbraw/zinc/19/88/69/325198869.db2.gz QDDGSDYCHRKLCG-WCQYABFASA-N 0 3 249.329 3.428 20 0 BGADHN CC1(C)CC[C@@H](N[C@H]2COc3ccc(F)cc32)C1 ZINC000545235547 325198551 /nfs/dbraw/zinc/19/85/51/325198551.db2.gz QDDGSDYCHRKLCG-YPMHNXCESA-N 0 3 249.329 3.428 20 0 BGADHN CC(C)C[C@H](C)N[C@H]1COc2ccc(F)cc21 ZINC000545235918 325198967 /nfs/dbraw/zinc/19/89/67/325198967.db2.gz BFOBRYQIFUOBGM-GWCFXTLKSA-N 0 3 237.318 3.283 20 0 BGADHN CC(C)C[C@H](C)N[C@@H]1COc2ccc(F)cc21 ZINC000545235919 325199024 /nfs/dbraw/zinc/19/90/24/325199024.db2.gz BFOBRYQIFUOBGM-GXFFZTMASA-N 0 3 237.318 3.283 20 0 BGADHN CC(C)C[C@@H](C)N[C@H]1COc2ccc(F)cc21 ZINC000545235920 325199291 /nfs/dbraw/zinc/19/92/91/325199291.db2.gz BFOBRYQIFUOBGM-MFKMUULPSA-N 0 3 237.318 3.283 20 0 BGADHN CC(C)C[C@@H](C)N[C@@H]1COc2ccc(F)cc21 ZINC000545235921 325199221 /nfs/dbraw/zinc/19/92/21/325199221.db2.gz BFOBRYQIFUOBGM-ZWNOBZJWSA-N 0 3 237.318 3.283 20 0 BGADHN Cc1ccc(CCCN2CCOC(C)(C)C2)cc1 ZINC000545292732 325208204 /nfs/dbraw/zinc/20/82/04/325208204.db2.gz IMPXTVRQPHYTRZ-UHFFFAOYSA-N 0 3 247.382 3.038 20 0 BGADHN CN(C)CCSCc1ccc2ncccc2c1 ZINC000545314749 325211862 /nfs/dbraw/zinc/21/18/62/325211862.db2.gz UPVIQPKOWXXIHX-UHFFFAOYSA-N 0 3 246.379 3.030 20 0 BGADHN CC1CCC(CSCCN(C)C)CC1 ZINC000545446117 325222105 /nfs/dbraw/zinc/22/21/05/325222105.db2.gz XRPLILAJTFZKGR-UHFFFAOYSA-N 0 3 215.406 3.108 20 0 BGADHN CCn1ccnc1CNCC1(CC)CCCCC1 ZINC000545855327 325240088 /nfs/dbraw/zinc/24/00/88/325240088.db2.gz DHJCSWPQRAHQEQ-UHFFFAOYSA-N 0 3 249.402 3.353 20 0 BGADHN C[C@@H]1CCN(Cc2ccno2)CC12CCCCC2 ZINC000545902684 325244442 /nfs/dbraw/zinc/24/44/42/325244442.db2.gz UVQPKEOLEFCSSE-CYBMUJFWSA-N 0 3 248.370 3.467 20 0 BGADHN C[C@H]1CCN(Cc2ccno2)CC12CCCCC2 ZINC000545902685 325244552 /nfs/dbraw/zinc/24/45/52/325244552.db2.gz UVQPKEOLEFCSSE-ZDUSSCGKSA-N 0 3 248.370 3.467 20 0 BGADHN CCn1ccnc1CNCCC1=CCCCCC1 ZINC000545920684 325247211 /nfs/dbraw/zinc/24/72/11/325247211.db2.gz NYKMJQWQGUDQRU-UHFFFAOYSA-N 0 3 247.386 3.273 20 0 BGADHN CC[C@@H](CO)N(CC=C(C)C)Cc1ccccc1 ZINC000545934038 325248518 /nfs/dbraw/zinc/24/85/18/325248518.db2.gz BECQKMBYENCIIA-INIZCTEOSA-N 0 3 247.382 3.226 20 0 BGADHN CC/C=C\CCN(C)Cc1cccc(O)c1 ZINC000545937912 325249329 /nfs/dbraw/zinc/24/93/29/325249329.db2.gz VNBZJTZKXIVAII-PLNGDYQASA-N 0 3 219.328 3.180 20 0 BGADHN CC/C=C/CCN(C)Cc1cccc(O)c1 ZINC000545937916 325249187 /nfs/dbraw/zinc/24/91/87/325249187.db2.gz VNBZJTZKXIVAII-SNAWJCMRSA-N 0 3 219.328 3.180 20 0 BGADHN Cc1ccc(CCN[C@H](C)c2cncc(C)c2)o1 ZINC000545939446 325248894 /nfs/dbraw/zinc/24/88/94/325248894.db2.gz PSIKLTVJSFLVFN-CYBMUJFWSA-N 0 3 244.338 3.185 20 0 BGADHN Cc1ccc(CCN[C@@H](C)c2cncc(C)c2)o1 ZINC000545939447 325249307 /nfs/dbraw/zinc/24/93/07/325249307.db2.gz PSIKLTVJSFLVFN-ZDUSSCGKSA-N 0 3 244.338 3.185 20 0 BGADHN CCc1ccc(CN(C)CCCSC)s1 ZINC000545986095 325253979 /nfs/dbraw/zinc/25/39/79/325253979.db2.gz GFQLDXXWKRIEEP-UHFFFAOYSA-N 0 3 243.441 3.495 20 0 BGADHN CC(C)(CF)NCc1ccnc2ccccc12 ZINC000546027977 323150368 /nfs/dbraw/zinc/15/03/68/323150368.db2.gz ARWHHEORKRGYNV-UHFFFAOYSA-N 0 3 232.302 3.073 20 0 BGADHN CN(C)CCSC[C@@H]1CCc2ccccc2C1 ZINC000546152359 325268955 /nfs/dbraw/zinc/26/89/55/325268955.db2.gz SYDIRIVMSBOFMS-CYBMUJFWSA-N 0 3 249.423 3.086 20 0 BGADHN CN(C)CCSC[C@H]1CCc2ccccc2C1 ZINC000546152360 325269128 /nfs/dbraw/zinc/26/91/28/325269128.db2.gz SYDIRIVMSBOFMS-ZDUSSCGKSA-N 0 3 249.423 3.086 20 0 BGADHN Cc1ccc2nccc(N3CC[C@](C)(F)C3)c2c1 ZINC000546182841 325270375 /nfs/dbraw/zinc/27/03/75/325270375.db2.gz QNDIXTJYJOCMEF-HNNXBMFYSA-N 0 3 244.313 3.482 20 0 BGADHN Cc1ccc2nccc(N3CC[C@@](C)(F)C3)c2c1 ZINC000546182848 325270382 /nfs/dbraw/zinc/27/03/82/325270382.db2.gz QNDIXTJYJOCMEF-OAHLLOKOSA-N 0 3 244.313 3.482 20 0 BGADHN CC[C@H](C)[C@@H](C)N[C@H]1COc2ccc(F)cc21 ZINC000546649149 325298283 /nfs/dbraw/zinc/29/82/83/325298283.db2.gz GEOHLPKDKRIYGY-CWSCBRNRSA-N 0 3 237.318 3.283 20 0 BGADHN CC[C@H](C)[C@H](C)N[C@H]1COc2ccc(F)cc21 ZINC000546649150 325298340 /nfs/dbraw/zinc/29/83/40/325298340.db2.gz GEOHLPKDKRIYGY-KWBADKCTSA-N 0 3 237.318 3.283 20 0 BGADHN CC[C@H](C)[C@@H](C)N[C@@H]1COc2ccc(F)cc21 ZINC000546649151 325298468 /nfs/dbraw/zinc/29/84/68/325298468.db2.gz GEOHLPKDKRIYGY-OPQQBVKSSA-N 0 3 237.318 3.283 20 0 BGADHN CC[C@H](C)[C@H](C)N[C@@H]1COc2ccc(F)cc21 ZINC000546649152 325298273 /nfs/dbraw/zinc/29/82/73/325298273.db2.gz GEOHLPKDKRIYGY-OUJBWJOFSA-N 0 3 237.318 3.283 20 0 BGADHN Fc1cncc(CN(C2CC2)C2CCCC2)c1 ZINC000546654517 325298782 /nfs/dbraw/zinc/29/87/82/325298782.db2.gz CVVAOJMDYXLITP-UHFFFAOYSA-N 0 3 234.318 3.128 20 0 BGADHN Fc1ccc2c(c1)[C@H](NC1CCCCC1)CO2 ZINC000546657644 325299486 /nfs/dbraw/zinc/29/94/86/325299486.db2.gz VLLMPFZUDWGWOC-CYBMUJFWSA-N 0 3 235.302 3.182 20 0 BGADHN Fc1ccc2c(c1)[C@@H](NC1CCCCC1)CO2 ZINC000546657645 325299521 /nfs/dbraw/zinc/29/95/21/325299521.db2.gz VLLMPFZUDWGWOC-ZDUSSCGKSA-N 0 3 235.302 3.182 20 0 BGADHN C[C@@H]1CCN(CCC(F)(F)F)CC1(C)C ZINC000546832349 325314510 /nfs/dbraw/zinc/31/45/10/325314510.db2.gz GTQNHAMTHVCDOU-SECBINFHSA-N 0 3 223.282 3.307 20 0 BGADHN C[C@H]1CCN(CCC(F)(F)F)CC1(C)C ZINC000546832350 325314618 /nfs/dbraw/zinc/31/46/18/325314618.db2.gz GTQNHAMTHVCDOU-VIFPVBQESA-N 0 3 223.282 3.307 20 0 BGADHN Cc1ccc2nccc(N3CC[C@@H](C)C3)c2c1 ZINC000546883458 325315935 /nfs/dbraw/zinc/31/59/35/325315935.db2.gz HSFSVMKIULMJFS-GFCCVEGCSA-N 0 3 226.323 3.389 20 0 BGADHN Cc1ccc2nccc(N3CC[C@H](C)C3)c2c1 ZINC000546883461 325316298 /nfs/dbraw/zinc/31/62/98/325316298.db2.gz HSFSVMKIULMJFS-LBPRGKRZSA-N 0 3 226.323 3.389 20 0 BGADHN CCN(CCC1CC1)Cc1c[nH]nc1C(C)(C)C ZINC000546971991 325321507 /nfs/dbraw/zinc/32/15/07/325321507.db2.gz FYGXKPFNBKDXSE-UHFFFAOYSA-N 0 3 249.402 3.329 20 0 BGADHN Fc1ccc2c(c1)[C@@H](NCC1CCCCC1)CO2 ZINC000547341625 364391239 /nfs/dbraw/zinc/39/12/39/364391239.db2.gz QWFZNKVGASZCJD-AWEZNQCLSA-N 0 3 249.329 3.429 20 0 BGADHN Fc1ccc2c(c1)[C@H](NCC1CCCCC1)CO2 ZINC000547341626 364391440 /nfs/dbraw/zinc/39/14/40/364391440.db2.gz QWFZNKVGASZCJD-CQSZACIVSA-N 0 3 249.329 3.429 20 0 BGADHN CCC[C@H](CC)N[C@H]1COc2ccc(F)cc21 ZINC000547356373 325347169 /nfs/dbraw/zinc/34/71/69/325347169.db2.gz NATFHLHNYLSROE-AAEUAGOBSA-N 0 3 237.318 3.428 20 0 BGADHN CCC[C@@H](CC)N[C@@H]1COc2ccc(F)cc21 ZINC000547356374 325347402 /nfs/dbraw/zinc/34/74/02/325347402.db2.gz NATFHLHNYLSROE-DGCLKSJQSA-N 0 3 237.318 3.428 20 0 BGADHN CCC[C@H](CC)N[C@@H]1COc2ccc(F)cc21 ZINC000547356375 325347327 /nfs/dbraw/zinc/34/73/27/325347327.db2.gz NATFHLHNYLSROE-WCQYABFASA-N 0 3 237.318 3.428 20 0 BGADHN CCC[C@@H](CC)N[C@H]1COc2ccc(F)cc21 ZINC000547356376 325347354 /nfs/dbraw/zinc/34/73/54/325347354.db2.gz NATFHLHNYLSROE-YPMHNXCESA-N 0 3 237.318 3.428 20 0 BGADHN C[C@@H]1CCC[C@@H](N[C@@H]2COc3ccc(F)cc32)C1 ZINC000547356753 325347120 /nfs/dbraw/zinc/34/71/20/325347120.db2.gz REGBMAYBDLHDAS-MPKXVKKWSA-N 0 3 249.329 3.428 20 0 BGADHN C[C@@H]1CCC[C@H](N[C@H]2COc3ccc(F)cc32)C1 ZINC000547356764 325347388 /nfs/dbraw/zinc/34/73/88/325347388.db2.gz REGBMAYBDLHDAS-OSMZGAPFSA-N 0 3 249.329 3.428 20 0 BGADHN C[C@@H]1CCC[C@@H](N[C@H]2COc3ccc(F)cc32)C1 ZINC000547356765 325347440 /nfs/dbraw/zinc/34/74/40/325347440.db2.gz REGBMAYBDLHDAS-QKCSRTOESA-N 0 3 249.329 3.428 20 0 BGADHN C[C@@H]1CCC[C@H](N[C@@H]2COc3ccc(F)cc32)C1 ZINC000547356766 325347202 /nfs/dbraw/zinc/34/72/02/325347202.db2.gz REGBMAYBDLHDAS-SCDSUCTJSA-N 0 3 249.329 3.428 20 0 BGADHN Cc1ccccc1[C@H]1C[C@H](NCC2(F)CC2)C1 ZINC000547374335 325348965 /nfs/dbraw/zinc/34/89/65/325348965.db2.gz QWNFDTKTMMGMKA-JOCQHMNTSA-N 0 3 233.330 3.333 20 0 BGADHN CC1(c2ccccc2)CC(NCC2(F)CC2)C1 ZINC000547375230 325349373 /nfs/dbraw/zinc/34/93/73/325349373.db2.gz FYHLPHNPSSNMGI-UHFFFAOYSA-N 0 3 233.330 3.198 20 0 BGADHN CC1(CN2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000547399468 325350974 /nfs/dbraw/zinc/35/09/74/325350974.db2.gz BTYXMAOJIIDCSE-SECBINFHSA-N 0 3 221.266 3.061 20 0 BGADHN CC1(CN2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000547399470 325351157 /nfs/dbraw/zinc/35/11/57/325351157.db2.gz BTYXMAOJIIDCSE-VIFPVBQESA-N 0 3 221.266 3.061 20 0 BGADHN C[C@@H](NC(C)(C)c1cnn(C)c1)c1ccccc1 ZINC000547413583 325351937 /nfs/dbraw/zinc/35/19/37/325351937.db2.gz NZZHBLXIDAXKHB-GFCCVEGCSA-N 0 3 243.354 3.006 20 0 BGADHN C[C@H](NC(C)(C)c1cnn(C)c1)c1ccccc1 ZINC000547413584 325352045 /nfs/dbraw/zinc/35/20/45/325352045.db2.gz NZZHBLXIDAXKHB-LBPRGKRZSA-N 0 3 243.354 3.006 20 0 BGADHN CCCOc1ccc(CNC(C)(C)CF)cc1 ZINC000547433466 325354085 /nfs/dbraw/zinc/35/40/85/325354085.db2.gz ZPBSXDXLRNWLHR-UHFFFAOYSA-N 0 3 239.334 3.313 20 0 BGADHN Cn1ccc(CNCC(C)(C)C2=CCCCC2)n1 ZINC000547497226 325364637 /nfs/dbraw/zinc/36/46/37/325364637.db2.gz XOISKUPDJGPSTE-UHFFFAOYSA-N 0 3 247.386 3.036 20 0 BGADHN CCC[C@H]1CCCC[C@@H]1NCc1ncc(C)cn1 ZINC000547508795 325366441 /nfs/dbraw/zinc/36/64/41/325366441.db2.gz SSFKDKPEDDIUIH-KBPBESRZSA-N 0 3 247.386 3.234 20 0 BGADHN CCC[C@@H]1CCCC[C@@H]1NCc1ncc(C)cn1 ZINC000547508797 325366528 /nfs/dbraw/zinc/36/65/28/325366528.db2.gz SSFKDKPEDDIUIH-KGLIPLIRSA-N 0 3 247.386 3.234 20 0 BGADHN CCC[C@H]1CCCC[C@H]1NCc1ncc(C)cn1 ZINC000547508799 325366379 /nfs/dbraw/zinc/36/63/79/325366379.db2.gz SSFKDKPEDDIUIH-UONOGXRCSA-N 0 3 247.386 3.234 20 0 BGADHN CCC[C@@H]1CCCC[C@H]1NCc1ncc(C)cn1 ZINC000547508800 325366428 /nfs/dbraw/zinc/36/64/28/325366428.db2.gz SSFKDKPEDDIUIH-ZIAGYGMSSA-N 0 3 247.386 3.234 20 0 BGADHN CCCC[C@H](COC)Nc1cc(C)cc(C)n1 ZINC000547542859 325371658 /nfs/dbraw/zinc/37/16/58/325371658.db2.gz MRLPSTSWHXINPI-CYBMUJFWSA-N 0 3 236.359 3.316 20 0 BGADHN CCCC[C@@H](COC)Nc1cc(C)cc(C)n1 ZINC000547542860 325371664 /nfs/dbraw/zinc/37/16/64/325371664.db2.gz MRLPSTSWHXINPI-ZDUSSCGKSA-N 0 3 236.359 3.316 20 0 BGADHN C[C@@H](NC1CCCCC1)c1cn2ccccc2n1 ZINC000547729214 325389313 /nfs/dbraw/zinc/38/93/13/325389313.db2.gz WNEIOMIHUFGBNU-GFCCVEGCSA-N 0 3 243.354 3.318 20 0 BGADHN C[C@H](NC1CCCCC1)c1cn2ccccc2n1 ZINC000547729215 325389165 /nfs/dbraw/zinc/38/91/65/325389165.db2.gz WNEIOMIHUFGBNU-LBPRGKRZSA-N 0 3 243.354 3.318 20 0 BGADHN C[C@H]1C[C@H](C)N1CCCOc1ccc(F)cc1 ZINC000547768391 325394330 /nfs/dbraw/zinc/39/43/30/325394330.db2.gz FVRCHVJBVGZHML-RYUDHWBXSA-N 0 3 237.318 3.077 20 0 BGADHN C[C@@H]1C[C@H](C)N1CCCOc1ccc(F)cc1 ZINC000547768392 325394619 /nfs/dbraw/zinc/39/46/19/325394619.db2.gz FVRCHVJBVGZHML-TXEJJXNPSA-N 0 3 237.318 3.077 20 0 BGADHN C[C@@H]1C[C@@H](C)N1CCCOc1ccc(F)cc1 ZINC000547768393 325394598 /nfs/dbraw/zinc/39/45/98/325394598.db2.gz FVRCHVJBVGZHML-VXGBXAGGSA-N 0 3 237.318 3.077 20 0 BGADHN C[C@@H]1C[C@@H](C)N1C/C=C/c1ccccc1 ZINC000547768480 325394533 /nfs/dbraw/zinc/39/45/33/325394533.db2.gz PTSJSHAEPLRLEK-BHAGLWOSSA-N 0 3 201.313 3.183 20 0 BGADHN C[C@@H]1C[C@H](C)N1C/C=C/c1ccccc1 ZINC000547768481 325394316 /nfs/dbraw/zinc/39/43/16/325394316.db2.gz PTSJSHAEPLRLEK-DNMVVKLTSA-N 0 3 201.313 3.183 20 0 BGADHN C[C@@H]1C[C@H](C)N1C/C=C\c1ccccc1 ZINC000547768482 325394509 /nfs/dbraw/zinc/39/45/09/325394509.db2.gz PTSJSHAEPLRLEK-IMVYOHCJSA-N 0 3 201.313 3.183 20 0 BGADHN C[C@@H]1C[C@@H](C)N1C/C=C\c1ccccc1 ZINC000547768483 325394579 /nfs/dbraw/zinc/39/45/79/325394579.db2.gz PTSJSHAEPLRLEK-KPRDYVAISA-N 0 3 201.313 3.183 20 0 BGADHN C[C@@H]1C[C@H](C)N1Cc1ccc(OC(F)F)cc1 ZINC000547768519 325394608 /nfs/dbraw/zinc/39/46/08/325394608.db2.gz VHNZLVNEJVURJE-AOOOYVTPSA-N 0 3 241.281 3.271 20 0 BGADHN C[C@@H]1C[C@@H](C)N1Cc1ccc(OC(F)F)cc1 ZINC000547768520 325394497 /nfs/dbraw/zinc/39/44/97/325394497.db2.gz VHNZLVNEJVURJE-NXEZZACHSA-N 0 3 241.281 3.271 20 0 BGADHN C[C@H]1C[C@H](C)N1Cc1ccc(OC(F)F)cc1 ZINC000547768521 325394475 /nfs/dbraw/zinc/39/44/75/325394475.db2.gz VHNZLVNEJVURJE-UWVGGRQHSA-N 0 3 241.281 3.271 20 0 BGADHN C[C@@H](c1ccc(F)cc1)N1[C@H](C)C[C@@H]1C ZINC000547768634 325394407 /nfs/dbraw/zinc/39/44/07/325394407.db2.gz IRYZOXONIUGBPI-AXFHLTTASA-N 0 3 207.292 3.369 20 0 BGADHN C[C@H](c1ccc(F)cc1)N1[C@H](C)C[C@H]1C ZINC000547768635 325394401 /nfs/dbraw/zinc/39/44/01/325394401.db2.gz IRYZOXONIUGBPI-GMTAPVOTSA-N 0 3 207.292 3.369 20 0 BGADHN C[C@@H](c1ccc(F)cc1)N1[C@H](C)C[C@H]1C ZINC000547768636 325394414 /nfs/dbraw/zinc/39/44/14/325394414.db2.gz IRYZOXONIUGBPI-MXWKQRLJSA-N 0 3 207.292 3.369 20 0 BGADHN C[C@H](c1ccc(F)cc1)N1[C@H](C)C[C@@H]1C ZINC000547768637 325394453 /nfs/dbraw/zinc/39/44/53/325394453.db2.gz IRYZOXONIUGBPI-OUAUKWLOSA-N 0 3 207.292 3.369 20 0 BGADHN COc1cccc([C@@H](C)N2[C@H](C)C[C@@H]2C)c1 ZINC000547769679 325394993 /nfs/dbraw/zinc/39/49/93/325394993.db2.gz PUQFJJUEMWUGQS-GRYCIOLGSA-N 0 3 219.328 3.239 20 0 BGADHN COc1cccc([C@H](C)N2[C@@H](C)C[C@@H]2C)c1 ZINC000547769680 325395150 /nfs/dbraw/zinc/39/51/50/325395150.db2.gz PUQFJJUEMWUGQS-SRVKXCTJSA-N 0 3 219.328 3.239 20 0 BGADHN COc1cccc([C@H](C)N2[C@H](C)C[C@@H]2C)c1 ZINC000547769681 325395006 /nfs/dbraw/zinc/39/50/06/325395006.db2.gz PUQFJJUEMWUGQS-TUAOUCFPSA-N 0 3 219.328 3.239 20 0 BGADHN COc1cccc([C@H](C)N2[C@H](C)C[C@H]2C)c1 ZINC000547769682 325395089 /nfs/dbraw/zinc/39/50/89/325395089.db2.gz PUQFJJUEMWUGQS-UTUOFQBUSA-N 0 3 219.328 3.239 20 0 BGADHN C[C@@H]1C[C@@H](C)N1CCSc1ccccc1F ZINC000547769786 325395132 /nfs/dbraw/zinc/39/51/32/325395132.db2.gz IJZPKAIABMBAKB-GHMZBOCLSA-N 0 3 239.359 3.401 20 0 BGADHN C[C@@H]1C[C@H](C)N1CCSc1ccccc1F ZINC000547769787 325395044 /nfs/dbraw/zinc/39/50/44/325395044.db2.gz IJZPKAIABMBAKB-PHIMTYICSA-N 0 3 239.359 3.401 20 0 BGADHN C[C@H]1C[C@H](C)N1CCSc1ccccc1F ZINC000547769788 325394898 /nfs/dbraw/zinc/39/48/98/325394898.db2.gz IJZPKAIABMBAKB-QWRGUYRKSA-N 0 3 239.359 3.401 20 0 BGADHN CC(C)=CCN1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000547771259 325395664 /nfs/dbraw/zinc/39/56/64/325395664.db2.gz KWJBOUUXAVZBKA-NXEZZACHSA-N 0 3 221.266 3.225 20 0 BGADHN CC(C)=CCN1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000547771260 325395513 /nfs/dbraw/zinc/39/55/13/325395513.db2.gz KWJBOUUXAVZBKA-UWVGGRQHSA-N 0 3 221.266 3.225 20 0 BGADHN CC(C)=CCN1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000547771261 325395726 /nfs/dbraw/zinc/39/57/26/325395726.db2.gz KWJBOUUXAVZBKA-VHSXEESVSA-N 0 3 221.266 3.225 20 0 BGADHN CC(C)=CCN1CC[C@H](C(F)(F)F)[C@H]1C ZINC000547771262 325395484 /nfs/dbraw/zinc/39/54/84/325395484.db2.gz KWJBOUUXAVZBKA-ZJUUUORDSA-N 0 3 221.266 3.225 20 0 BGADHN C[C@H](CN[C@@H]1CCc2ccccc21)C(F)(F)F ZINC000547830611 388489958 /nfs/dbraw/zinc/48/99/58/388489958.db2.gz RVYLVEKKCJMZIT-BXKDBHETSA-N 0 3 243.272 3.462 20 0 BGADHN C[C@@H](CN[C@H]1CCc2ccccc21)C(F)(F)F ZINC000547830612 325405854 /nfs/dbraw/zinc/40/58/54/325405854.db2.gz RVYLVEKKCJMZIT-CABZTGNLSA-N 0 3 243.272 3.462 20 0 BGADHN C[C@@H](CN[C@@H]1CCc2ccccc21)C(F)(F)F ZINC000547830613 388490461 /nfs/dbraw/zinc/49/04/61/388490461.db2.gz RVYLVEKKCJMZIT-JOYOIKCWSA-N 0 3 243.272 3.462 20 0 BGADHN C[C@H](CN[C@H]1CCc2ccccc21)C(F)(F)F ZINC000547830614 357399510 /nfs/dbraw/zinc/39/95/10/357399510.db2.gz RVYLVEKKCJMZIT-SKDRFNHKSA-N 0 3 243.272 3.462 20 0 BGADHN CCC[C@@H]1CCCC[C@H]1NCc1ncc(C)o1 ZINC000547832527 388490846 /nfs/dbraw/zinc/49/08/46/388490846.db2.gz DIABGFUDLFEXLX-CHWSQXEVSA-N 0 3 236.359 3.432 20 0 BGADHN CCC[C@@H]1CCCC[C@@H]1NCc1ncc(C)o1 ZINC000547832528 388490161 /nfs/dbraw/zinc/49/01/61/388490161.db2.gz DIABGFUDLFEXLX-OLZOCXBDSA-N 0 3 236.359 3.432 20 0 BGADHN CCC[C@H]1CCCC[C@H]1NCc1ncc(C)o1 ZINC000547832529 325407077 /nfs/dbraw/zinc/40/70/77/325407077.db2.gz DIABGFUDLFEXLX-QWHCGFSZSA-N 0 3 236.359 3.432 20 0 BGADHN CCC[C@H]1CCCC[C@@H]1NCc1ncc(C)o1 ZINC000547832530 388490334 /nfs/dbraw/zinc/49/03/34/388490334.db2.gz DIABGFUDLFEXLX-STQMWFEESA-N 0 3 236.359 3.432 20 0 BGADHN CCC[C@H]1CCCC[C@H]1NCc1cc(C)no1 ZINC000547832703 388490234 /nfs/dbraw/zinc/49/02/34/388490234.db2.gz LKHRACCVZVIFPR-GXTWGEPZSA-N 0 3 236.359 3.432 20 0 BGADHN CCC[C@H]1CCCC[C@@H]1NCc1cc(C)no1 ZINC000547832704 388490773 /nfs/dbraw/zinc/49/07/73/388490773.db2.gz LKHRACCVZVIFPR-JSGCOSHPSA-N 0 3 236.359 3.432 20 0 BGADHN CCC[C@@H]1CCCC[C@@H]1NCc1cc(C)no1 ZINC000547832705 388490479 /nfs/dbraw/zinc/49/04/79/388490479.db2.gz LKHRACCVZVIFPR-OCCSQVGLSA-N 0 3 236.359 3.432 20 0 BGADHN CCC[C@@H]1CCCC[C@H]1NCc1cc(C)no1 ZINC000547832706 388490424 /nfs/dbraw/zinc/49/04/24/388490424.db2.gz LKHRACCVZVIFPR-TZMCWYRMSA-N 0 3 236.359 3.432 20 0 BGADHN C[C@@H](NCCF)C1(c2ccccc2)CCCC1 ZINC000547842215 388491167 /nfs/dbraw/zinc/49/11/67/388491167.db2.gz GGMIEGOSTYMYQS-CYBMUJFWSA-N 0 3 235.346 3.446 20 0 BGADHN C[C@H](NCCF)C1(c2ccccc2)CCCC1 ZINC000547842216 388491575 /nfs/dbraw/zinc/49/15/75/388491575.db2.gz GGMIEGOSTYMYQS-ZDUSSCGKSA-N 0 3 235.346 3.446 20 0 BGADHN CC1(C)CC(CNCc2cccc(F)c2F)C1 ZINC000548044675 388506331 /nfs/dbraw/zinc/50/63/31/388506331.db2.gz CPWGNOYELVKACK-UHFFFAOYSA-N 0 3 239.309 3.491 20 0 BGADHN CC1(C)CC(CNCc2ccc(F)cc2F)C1 ZINC000548045228 325423672 /nfs/dbraw/zinc/42/36/72/325423672.db2.gz MEJUMZCECZHDAR-UHFFFAOYSA-N 0 3 239.309 3.491 20 0 BGADHN CC[C@H]1CCCC[C@@H]1N(C)Cc1ccno1 ZINC000548075025 388508716 /nfs/dbraw/zinc/50/87/16/388508716.db2.gz XKNGWOOGGTYPBG-AAEUAGOBSA-N 0 3 222.332 3.075 20 0 BGADHN CC[C@@H]1CCCC[C@H]1N(C)Cc1ccno1 ZINC000548075026 388508182 /nfs/dbraw/zinc/50/81/82/388508182.db2.gz XKNGWOOGGTYPBG-DGCLKSJQSA-N 0 3 222.332 3.075 20 0 BGADHN CC[C@H]1CCCC[C@H]1N(C)Cc1ccno1 ZINC000548075027 388508409 /nfs/dbraw/zinc/50/84/09/388508409.db2.gz XKNGWOOGGTYPBG-WCQYABFASA-N 0 3 222.332 3.075 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1N(C)Cc1ccno1 ZINC000548075028 388508851 /nfs/dbraw/zinc/50/88/51/388508851.db2.gz XKNGWOOGGTYPBG-YPMHNXCESA-N 0 3 222.332 3.075 20 0 BGADHN C[C@@H]1C[C@H](C)N1Cc1cccc(OC(F)F)c1 ZINC000548096103 388510380 /nfs/dbraw/zinc/51/03/80/388510380.db2.gz GOKCIDUDXVIJLA-AOOOYVTPSA-N 0 3 241.281 3.271 20 0 BGADHN C[C@@H]1C[C@@H](C)N1Cc1cccc(OC(F)F)c1 ZINC000548096104 388510408 /nfs/dbraw/zinc/51/04/08/388510408.db2.gz GOKCIDUDXVIJLA-NXEZZACHSA-N 0 3 241.281 3.271 20 0 BGADHN C[C@H]1C[C@H](C)N1Cc1cccc(OC(F)F)c1 ZINC000548096105 388511364 /nfs/dbraw/zinc/51/13/64/388511364.db2.gz GOKCIDUDXVIJLA-UWVGGRQHSA-N 0 3 241.281 3.271 20 0 BGADHN C[C@H]1C[C@H](C)N1Cc1ccc2c(c1)CCC2 ZINC000548096219 388510480 /nfs/dbraw/zinc/51/04/80/388510480.db2.gz IMCCEELOJPJPMR-RYUDHWBXSA-N 0 3 215.340 3.158 20 0 BGADHN C[C@@H]1C[C@H](C)N1Cc1ccc2c(c1)CCC2 ZINC000548096220 388510865 /nfs/dbraw/zinc/51/08/65/388510865.db2.gz IMCCEELOJPJPMR-TXEJJXNPSA-N 0 3 215.340 3.158 20 0 BGADHN C[C@@H]1C[C@@H](C)N1Cc1ccc2c(c1)CCC2 ZINC000548096221 388510886 /nfs/dbraw/zinc/51/08/86/388510886.db2.gz IMCCEELOJPJPMR-VXGBXAGGSA-N 0 3 215.340 3.158 20 0 BGADHN CC(C)Oc1ccccc1CN1[C@H](C)C[C@@H]1C ZINC000548096232 388510432 /nfs/dbraw/zinc/51/04/32/388510432.db2.gz JQJUWCFQCARRQW-BETUJISGSA-N 0 3 233.355 3.457 20 0 BGADHN CC(C)Oc1ccccc1CN1[C@H](C)C[C@H]1C ZINC000548096235 388511252 /nfs/dbraw/zinc/51/12/52/388511252.db2.gz JQJUWCFQCARRQW-CHWSQXEVSA-N 0 3 233.355 3.457 20 0 BGADHN CC(C)Oc1ccccc1CN1[C@@H](C)C[C@@H]1C ZINC000548096237 325428276 /nfs/dbraw/zinc/42/82/76/325428276.db2.gz JQJUWCFQCARRQW-STQMWFEESA-N 0 3 233.355 3.457 20 0 BGADHN CCc1cccc(CN2[C@@H](C)C[C@@H]2C)c1 ZINC000548096527 325428810 /nfs/dbraw/zinc/42/88/10/325428810.db2.gz DIUBVBHMDQYGKD-RYUDHWBXSA-N 0 3 203.329 3.232 20 0 BGADHN CCc1cccc(CN2[C@H](C)C[C@@H]2C)c1 ZINC000548096528 388510510 /nfs/dbraw/zinc/51/05/10/388510510.db2.gz DIUBVBHMDQYGKD-TXEJJXNPSA-N 0 3 203.329 3.232 20 0 BGADHN CCc1cccc(CN2[C@H](C)C[C@H]2C)c1 ZINC000548096529 325429129 /nfs/dbraw/zinc/42/91/29/325429129.db2.gz DIUBVBHMDQYGKD-VXGBXAGGSA-N 0 3 203.329 3.232 20 0 BGADHN Cc1ccc(C(=O)CCN2[C@H](C)C[C@@H]2C)cc1 ZINC000548096949 387989709 /nfs/dbraw/zinc/98/97/09/387989709.db2.gz ZGJIXZTXWHSPEL-BETUJISGSA-N 0 3 231.339 3.051 20 0 BGADHN Cc1ccc(C(=O)CCN2[C@H](C)C[C@H]2C)cc1 ZINC000548096950 387990098 /nfs/dbraw/zinc/99/00/98/387990098.db2.gz ZGJIXZTXWHSPEL-CHWSQXEVSA-N 0 3 231.339 3.051 20 0 BGADHN Cc1ccc(C(=O)CCN2[C@@H](C)C[C@@H]2C)cc1 ZINC000548096951 387991120 /nfs/dbraw/zinc/99/11/20/387991120.db2.gz ZGJIXZTXWHSPEL-STQMWFEESA-N 0 3 231.339 3.051 20 0 BGADHN C[C@@H]1C[C@H](C)N1CCCCC(F)(F)F ZINC000548096956 388511042 /nfs/dbraw/zinc/51/10/42/388511042.db2.gz ZNRQIUYCGAXJLL-DTORHVGOSA-N 0 3 209.255 3.202 20 0 BGADHN C[C@H]1C[C@H](C)N1CCCCC(F)(F)F ZINC000548096957 388510639 /nfs/dbraw/zinc/51/06/39/388510639.db2.gz ZNRQIUYCGAXJLL-IUCAKERBSA-N 0 3 209.255 3.202 20 0 BGADHN C[C@@H]1C[C@@H](C)N1CCCCC(F)(F)F ZINC000548096958 388510317 /nfs/dbraw/zinc/51/03/17/388510317.db2.gz ZNRQIUYCGAXJLL-RKDXNWHRSA-N 0 3 209.255 3.202 20 0 BGADHN C[C@H]1C[C@H](C)N1CCSc1ccccc1 ZINC000548097517 388511169 /nfs/dbraw/zinc/51/11/69/388511169.db2.gz KNZFJSJVOJCBFV-RYUDHWBXSA-N 0 3 221.369 3.261 20 0 BGADHN C[C@@H]1C[C@H](C)N1CCSc1ccccc1 ZINC000548097523 388510894 /nfs/dbraw/zinc/51/08/94/388510894.db2.gz KNZFJSJVOJCBFV-TXEJJXNPSA-N 0 3 221.369 3.261 20 0 BGADHN C[C@@H]1C[C@@H](C)N1CCSc1ccccc1 ZINC000548097524 325429381 /nfs/dbraw/zinc/42/93/81/325429381.db2.gz KNZFJSJVOJCBFV-VXGBXAGGSA-N 0 3 221.369 3.261 20 0 BGADHN C[C@@H]1C[C@@H](C)N1Cc1cc(F)cc2cccnc21 ZINC000548097605 325429338 /nfs/dbraw/zinc/42/93/38/325429338.db2.gz HBFQKEMMNDBKDO-GHMZBOCLSA-N 0 3 244.313 3.357 20 0 BGADHN C[C@@H]1C[C@H](C)N1Cc1cc(F)cc2cccnc21 ZINC000548097606 388512525 /nfs/dbraw/zinc/51/25/25/388512525.db2.gz HBFQKEMMNDBKDO-PHIMTYICSA-N 0 3 244.313 3.357 20 0 BGADHN C[C@H]1C[C@H](C)N1Cc1cc(F)cc2cccnc21 ZINC000548097607 388512067 /nfs/dbraw/zinc/51/20/67/388512067.db2.gz HBFQKEMMNDBKDO-QWRGUYRKSA-N 0 3 244.313 3.357 20 0 BGADHN CC(C)Oc1cccc(CN2[C@H](C)C[C@@H]2C)c1 ZINC000548097802 388512600 /nfs/dbraw/zinc/51/26/00/388512600.db2.gz ZYKVDHOBEVUNQH-BETUJISGSA-N 0 3 233.355 3.457 20 0 BGADHN CC(C)Oc1cccc(CN2[C@H](C)C[C@H]2C)c1 ZINC000548097803 388511675 /nfs/dbraw/zinc/51/16/75/388511675.db2.gz ZYKVDHOBEVUNQH-CHWSQXEVSA-N 0 3 233.355 3.457 20 0 BGADHN CC(C)Oc1cccc(CN2[C@@H](C)C[C@@H]2C)c1 ZINC000548097804 323442793 /nfs/dbraw/zinc/44/27/93/323442793.db2.gz ZYKVDHOBEVUNQH-STQMWFEESA-N 0 3 233.355 3.457 20 0 BGADHN Cc1ccc(F)cc1CN1[C@H](C)C[C@H]1C ZINC000548098087 388512591 /nfs/dbraw/zinc/51/25/91/388512591.db2.gz KTLAWTNWNAKOEU-GHMZBOCLSA-N 0 3 207.292 3.117 20 0 BGADHN Cc1ccc(F)cc1CN1[C@H](C)C[C@@H]1C ZINC000548098088 388511845 /nfs/dbraw/zinc/51/18/45/388511845.db2.gz KTLAWTNWNAKOEU-PHIMTYICSA-N 0 3 207.292 3.117 20 0 BGADHN Cc1ccc(F)cc1CN1[C@@H](C)C[C@@H]1C ZINC000548098089 388511985 /nfs/dbraw/zinc/51/19/85/388511985.db2.gz KTLAWTNWNAKOEU-QWRGUYRKSA-N 0 3 207.292 3.117 20 0 BGADHN CCC(C)(C)N(C)Cc1ccccc1F ZINC000548098768 388512411 /nfs/dbraw/zinc/51/24/11/388512411.db2.gz WEPIMPVIXYCNST-UHFFFAOYSA-N 0 3 209.308 3.446 20 0 BGADHN C[C@H](CSc1c(F)cc(F)cc1F)N(C)C ZINC000548149400 388517925 /nfs/dbraw/zinc/51/79/25/388517925.db2.gz SHEJQFFUOGZDMX-SSDOTTSWSA-N 0 3 249.301 3.146 20 0 BGADHN C[C@@H](CSc1c(F)cc(F)cc1F)N(C)C ZINC000548149401 388517904 /nfs/dbraw/zinc/51/79/04/388517904.db2.gz SHEJQFFUOGZDMX-ZETCQYMHSA-N 0 3 249.301 3.146 20 0 BGADHN CCc1cc(CNC[C@H]2C(C)=CCC[C@H]2C)on1 ZINC000548150514 388517739 /nfs/dbraw/zinc/51/77/39/388517739.db2.gz KPPCQVFAFFQILF-DOMZBBRYSA-N 0 3 248.370 3.319 20 0 BGADHN CCc1cc(CNC[C@@H]2C(C)=CCC[C@H]2C)on1 ZINC000548150515 325436639 /nfs/dbraw/zinc/43/66/39/325436639.db2.gz KPPCQVFAFFQILF-IUODEOHRSA-N 0 3 248.370 3.319 20 0 BGADHN CCc1cc(CNC[C@@H]2C(C)=CCC[C@@H]2C)on1 ZINC000548150516 388518203 /nfs/dbraw/zinc/51/82/03/388518203.db2.gz KPPCQVFAFFQILF-SWLSCSKDSA-N 0 3 248.370 3.319 20 0 BGADHN CCc1cc(CNC[C@H]2C(C)=CCC[C@@H]2C)on1 ZINC000548150517 388517768 /nfs/dbraw/zinc/51/77/68/388517768.db2.gz KPPCQVFAFFQILF-WFASDCNBSA-N 0 3 248.370 3.319 20 0 BGADHN C[C@@H](N(C)Cc1nc2ccccc2[nH]1)C(C)(C)C ZINC000548159330 388518690 /nfs/dbraw/zinc/51/86/90/388518690.db2.gz PVVHGWNGZTUZEN-LLVKDONJSA-N 0 3 245.370 3.429 20 0 BGADHN C[C@H](N(C)Cc1nc2ccccc2[nH]1)C(C)(C)C ZINC000548159331 388518719 /nfs/dbraw/zinc/51/87/19/388518719.db2.gz PVVHGWNGZTUZEN-NSHDSACASA-N 0 3 245.370 3.429 20 0 BGADHN CCC[C@H]1CCCC[C@@H]1NCc1nccc(C)n1 ZINC000548160208 388518772 /nfs/dbraw/zinc/51/87/72/388518772.db2.gz MKYOOTQEYAHFRU-KBPBESRZSA-N 0 3 247.386 3.234 20 0 BGADHN CCC[C@@H]1CCCC[C@@H]1NCc1nccc(C)n1 ZINC000548160209 388518813 /nfs/dbraw/zinc/51/88/13/388518813.db2.gz MKYOOTQEYAHFRU-KGLIPLIRSA-N 0 3 247.386 3.234 20 0 BGADHN CCC[C@H]1CCCC[C@H]1NCc1nccc(C)n1 ZINC000548160210 323529980 /nfs/dbraw/zinc/52/99/80/323529980.db2.gz MKYOOTQEYAHFRU-UONOGXRCSA-N 0 3 247.386 3.234 20 0 BGADHN CCC[C@@H]1CCCC[C@H]1NCc1nccc(C)n1 ZINC000548160211 387225019 /nfs/dbraw/zinc/22/50/19/387225019.db2.gz MKYOOTQEYAHFRU-ZIAGYGMSSA-N 0 3 247.386 3.234 20 0 BGADHN CCC1(CC)CCN(Cc2ccno2)CC1 ZINC000548275147 388525088 /nfs/dbraw/zinc/52/50/88/388525088.db2.gz PEZBMTNHCIFZRK-UHFFFAOYSA-N 0 3 222.332 3.077 20 0 BGADHN CC1(C)CC(C[NH2+]Cc2cc([O-])cc(F)c2)C1 ZINC000548372560 325451508 /nfs/dbraw/zinc/45/15/08/325451508.db2.gz APRMWYQMGTWXIY-UHFFFAOYSA-N 0 3 237.318 3.057 20 0 BGADHN CC1(C)CC(CNCc2cc(F)ccc2F)C1 ZINC000548372839 388531297 /nfs/dbraw/zinc/53/12/97/388531297.db2.gz ZXHZEEKVVCTDFY-UHFFFAOYSA-N 0 3 239.309 3.491 20 0 BGADHN CCc1cnc(CN(C)[C@H]2CCCC[C@@H]2C)o1 ZINC000548402679 388534468 /nfs/dbraw/zinc/53/44/68/388534468.db2.gz GWYZMTUSVXJSHQ-AAEUAGOBSA-N 0 3 236.359 3.248 20 0 BGADHN CCc1cnc(CN(C)[C@@H]2CCCC[C@H]2C)o1 ZINC000548402680 388533940 /nfs/dbraw/zinc/53/39/40/388533940.db2.gz GWYZMTUSVXJSHQ-DGCLKSJQSA-N 0 3 236.359 3.248 20 0 BGADHN CCc1cnc(CN(C)[C@@H]2CCCC[C@@H]2C)o1 ZINC000548402681 388533413 /nfs/dbraw/zinc/53/34/13/388533413.db2.gz GWYZMTUSVXJSHQ-WCQYABFASA-N 0 3 236.359 3.248 20 0 BGADHN CCc1cnc(CN(C)[C@H]2CCCC[C@H]2C)o1 ZINC000548402682 388533668 /nfs/dbraw/zinc/53/36/68/388533668.db2.gz GWYZMTUSVXJSHQ-YPMHNXCESA-N 0 3 236.359 3.248 20 0 BGADHN C[C@@H]1C[C@@H](C)N1[C@@H]1CCc2ccc(F)cc21 ZINC000548424279 325455615 /nfs/dbraw/zinc/45/56/15/325455615.db2.gz GTEUADBWNLPWCI-GPCCPHFNSA-N 0 3 219.303 3.296 20 0 BGADHN C[C@@H]1C[C@H](C)N1[C@@H]1CCc2ccc(F)cc21 ZINC000548424280 388535004 /nfs/dbraw/zinc/53/50/04/388535004.db2.gz GTEUADBWNLPWCI-ISTVAULSSA-N 0 3 219.303 3.296 20 0 BGADHN C[C@@H]1C[C@H](C)N1[C@H]1CCc2ccc(F)cc21 ZINC000548424281 388536838 /nfs/dbraw/zinc/53/68/38/388536838.db2.gz GTEUADBWNLPWCI-RBZYPMLTSA-N 0 3 219.303 3.296 20 0 BGADHN C[C@@H]1C[C@@H](C)N1[C@H]1CCc2ccc(F)cc21 ZINC000548424282 388537190 /nfs/dbraw/zinc/53/71/90/388537190.db2.gz GTEUADBWNLPWCI-RULNRJAQSA-N 0 3 219.303 3.296 20 0 BGADHN CSc1ccccc1CN1[C@H](C)C[C@H]1C ZINC000548425003 388536913 /nfs/dbraw/zinc/53/69/13/388536913.db2.gz KPEMRHPPFXRBOS-GHMZBOCLSA-N 0 3 221.369 3.391 20 0 BGADHN CSc1ccccc1CN1[C@H](C)C[C@@H]1C ZINC000548425004 388537505 /nfs/dbraw/zinc/53/75/05/388537505.db2.gz KPEMRHPPFXRBOS-PHIMTYICSA-N 0 3 221.369 3.391 20 0 BGADHN CSc1ccccc1CN1[C@@H](C)C[C@@H]1C ZINC000548425005 388535784 /nfs/dbraw/zinc/53/57/84/388535784.db2.gz KPEMRHPPFXRBOS-QWRGUYRKSA-N 0 3 221.369 3.391 20 0 BGADHN C[C@@H]1C[C@@H](C)N1CCOc1cccc(Cl)c1 ZINC000548425221 388536635 /nfs/dbraw/zinc/53/66/35/388536635.db2.gz XVRYINMWQRBOSO-GHMZBOCLSA-N 0 3 239.746 3.202 20 0 BGADHN C[C@@H]1C[C@H](C)N1CCOc1cccc(Cl)c1 ZINC000548425222 388536545 /nfs/dbraw/zinc/53/65/45/388536545.db2.gz XVRYINMWQRBOSO-PHIMTYICSA-N 0 3 239.746 3.202 20 0 BGADHN C[C@H]1C[C@H](C)N1CCOc1cccc(Cl)c1 ZINC000548425223 325456082 /nfs/dbraw/zinc/45/60/82/325456082.db2.gz XVRYINMWQRBOSO-QWRGUYRKSA-N 0 3 239.746 3.202 20 0 BGADHN Cc1ccc(C)c(OCCN2[C@@H](C)C[C@@H]2C)c1 ZINC000548426077 388537073 /nfs/dbraw/zinc/53/70/73/388537073.db2.gz NXFKDJWNYKVYDQ-KBPBESRZSA-N 0 3 233.355 3.165 20 0 BGADHN Cc1ccc(C)c(OCCN2[C@H](C)C[C@@H]2C)c1 ZINC000548426078 388536206 /nfs/dbraw/zinc/53/62/06/388536206.db2.gz NXFKDJWNYKVYDQ-OKILXGFUSA-N 0 3 233.355 3.165 20 0 BGADHN Cc1ccc(C)c(OCCN2[C@H](C)C[C@H]2C)c1 ZINC000548426079 388536425 /nfs/dbraw/zinc/53/64/25/388536425.db2.gz NXFKDJWNYKVYDQ-ZIAGYGMSSA-N 0 3 233.355 3.165 20 0 BGADHN Cc1cccc(C)c1OCCN1[C@@H](C)C[C@@H]1C ZINC000548426493 388536947 /nfs/dbraw/zinc/53/69/47/388536947.db2.gz YJPBDRITDLKEKO-KBPBESRZSA-N 0 3 233.355 3.165 20 0 BGADHN Cc1cccc(C)c1OCCN1[C@H](C)C[C@@H]1C ZINC000548426494 388537178 /nfs/dbraw/zinc/53/71/78/388537178.db2.gz YJPBDRITDLKEKO-OKILXGFUSA-N 0 3 233.355 3.165 20 0 BGADHN Cc1cccc(C)c1OCCN1[C@H](C)C[C@H]1C ZINC000548426495 325457158 /nfs/dbraw/zinc/45/71/58/325457158.db2.gz YJPBDRITDLKEKO-ZIAGYGMSSA-N 0 3 233.355 3.165 20 0 BGADHN Cc1cc(CNC[C@@H]2C(C)=CCC[C@H]2C)no1 ZINC000548477740 388541823 /nfs/dbraw/zinc/54/18/23/388541823.db2.gz LENRFQGDYKVADF-BXUZGUMPSA-N 0 3 234.343 3.065 20 0 BGADHN Cc1cc(CNC[C@H]2C(C)=CCC[C@@H]2C)no1 ZINC000548477741 388541788 /nfs/dbraw/zinc/54/17/88/388541788.db2.gz LENRFQGDYKVADF-FZMZJTMJSA-N 0 3 234.343 3.065 20 0 BGADHN Cc1cc(CNC[C@H]2C(C)=CCC[C@H]2C)no1 ZINC000548477742 388541999 /nfs/dbraw/zinc/54/19/99/388541999.db2.gz LENRFQGDYKVADF-RISCZKNCSA-N 0 3 234.343 3.065 20 0 BGADHN Cc1cc(CNC[C@@H]2C(C)=CCC[C@@H]2C)no1 ZINC000548477743 388542543 /nfs/dbraw/zinc/54/25/43/388542543.db2.gz LENRFQGDYKVADF-SMDDNHRTSA-N 0 3 234.343 3.065 20 0 BGADHN CCC[C@H]1CCCC[C@H]1NCc1cc(C)on1 ZINC000548487739 388543714 /nfs/dbraw/zinc/54/37/14/388543714.db2.gz RKPNQQPFGUBCPM-GXTWGEPZSA-N 0 3 236.359 3.432 20 0 BGADHN CCC[C@H]1CCCC[C@@H]1NCc1cc(C)on1 ZINC000548487740 388543463 /nfs/dbraw/zinc/54/34/63/388543463.db2.gz RKPNQQPFGUBCPM-JSGCOSHPSA-N 0 3 236.359 3.432 20 0 BGADHN CCC[C@@H]1CCCC[C@@H]1NCc1cc(C)on1 ZINC000548487741 388543563 /nfs/dbraw/zinc/54/35/63/388543563.db2.gz RKPNQQPFGUBCPM-OCCSQVGLSA-N 0 3 236.359 3.432 20 0 BGADHN CCC[C@@H]1CCCC[C@H]1NCc1cc(C)on1 ZINC000548487742 325463061 /nfs/dbraw/zinc/46/30/61/325463061.db2.gz RKPNQQPFGUBCPM-TZMCWYRMSA-N 0 3 236.359 3.432 20 0 BGADHN CC[C@H]1CC[C@@H](C)N1Cc1nc2ccccc2[nH]1 ZINC000548488868 388543485 /nfs/dbraw/zinc/54/34/85/388543485.db2.gz JUYONYDNFZWTFM-NEPJUHHUSA-N 0 3 243.354 3.326 20 0 BGADHN CC[C@@H]1CC[C@H](C)N1Cc1nc2ccccc2[nH]1 ZINC000548488869 388543053 /nfs/dbraw/zinc/54/30/53/388543053.db2.gz JUYONYDNFZWTFM-NWDGAFQWSA-N 0 3 243.354 3.326 20 0 BGADHN CC[C@H]1CC[C@H](C)N1Cc1nc2ccccc2[nH]1 ZINC000548488870 388543001 /nfs/dbraw/zinc/54/30/01/388543001.db2.gz JUYONYDNFZWTFM-RYUDHWBXSA-N 0 3 243.354 3.326 20 0 BGADHN CC[C@@H]1CC[C@@H](C)N1Cc1nc2ccccc2[nH]1 ZINC000548488871 388543885 /nfs/dbraw/zinc/54/38/85/388543885.db2.gz JUYONYDNFZWTFM-VXGBXAGGSA-N 0 3 243.354 3.326 20 0 BGADHN CCOc1cccc(CNCC2CC(C)(C)C2)n1 ZINC000548700641 325474173 /nfs/dbraw/zinc/47/41/73/325474173.db2.gz WJGTZPMRGVQWCA-UHFFFAOYSA-N 0 3 248.370 3.006 20 0 BGADHN C[C@@H]1C[C@@H](C)N1CCSc1ccc(F)cc1 ZINC000548752850 388557960 /nfs/dbraw/zinc/55/79/60/388557960.db2.gz XQCOVZVBWNYMGX-GHMZBOCLSA-N 0 3 239.359 3.401 20 0 BGADHN C[C@@H]1C[C@H](C)N1CCSc1ccc(F)cc1 ZINC000548752851 388557061 /nfs/dbraw/zinc/55/70/61/388557061.db2.gz XQCOVZVBWNYMGX-PHIMTYICSA-N 0 3 239.359 3.401 20 0 BGADHN C[C@H]1C[C@H](C)N1CCSc1ccc(F)cc1 ZINC000548752852 325478208 /nfs/dbraw/zinc/47/82/08/325478208.db2.gz XQCOVZVBWNYMGX-QWRGUYRKSA-N 0 3 239.359 3.401 20 0 BGADHN C[C@@H]1C[C@H](C)N1CCOC1CCCCCC1 ZINC000548752913 388556754 /nfs/dbraw/zinc/55/67/54/388556754.db2.gz GTCNOMNPWUCNTP-BETUJISGSA-N 0 3 225.376 3.209 20 0 BGADHN C[C@@H]1C[C@@H](C)N1CCOC1CCCCCC1 ZINC000548752914 388556905 /nfs/dbraw/zinc/55/69/05/388556905.db2.gz GTCNOMNPWUCNTP-CHWSQXEVSA-N 0 3 225.376 3.209 20 0 BGADHN C[C@H]1C[C@H](C)N1CCOC1CCCCCC1 ZINC000548752915 388557091 /nfs/dbraw/zinc/55/70/91/388557091.db2.gz GTCNOMNPWUCNTP-STQMWFEESA-N 0 3 225.376 3.209 20 0 BGADHN CCc1cccc(OCCN2[C@H](C)C[C@@H]2C)c1 ZINC000548753388 388556777 /nfs/dbraw/zinc/55/67/77/388556777.db2.gz VXXWNPULPJGMTB-BETUJISGSA-N 0 3 233.355 3.111 20 0 BGADHN CCc1cccc(OCCN2[C@H](C)C[C@H]2C)c1 ZINC000548753389 388556834 /nfs/dbraw/zinc/55/68/34/388556834.db2.gz VXXWNPULPJGMTB-CHWSQXEVSA-N 0 3 233.355 3.111 20 0 BGADHN CCc1cccc(OCCN2[C@@H](C)C[C@@H]2C)c1 ZINC000548753390 325478198 /nfs/dbraw/zinc/47/81/98/325478198.db2.gz VXXWNPULPJGMTB-STQMWFEESA-N 0 3 233.355 3.111 20 0 BGADHN C[C@@H]1C[C@@H](C)N1Cc1cc2ccccc2o1 ZINC000548753638 388556847 /nfs/dbraw/zinc/55/68/47/388556847.db2.gz BSIJWGMVADAPNF-GHMZBOCLSA-N 0 3 215.296 3.416 20 0 BGADHN C[C@@H]1C[C@H](C)N1Cc1cc2ccccc2o1 ZINC000548753639 388557647 /nfs/dbraw/zinc/55/76/47/388557647.db2.gz BSIJWGMVADAPNF-PHIMTYICSA-N 0 3 215.296 3.416 20 0 BGADHN C[C@H]1C[C@H](C)N1Cc1cc2ccccc2o1 ZINC000548753640 388556896 /nfs/dbraw/zinc/55/68/96/388556896.db2.gz BSIJWGMVADAPNF-QWRGUYRKSA-N 0 3 215.296 3.416 20 0 BGADHN C[C@@H](c1ccccc1F)N1[C@H](C)C[C@@H]1C ZINC000548753641 388557054 /nfs/dbraw/zinc/55/70/54/388557054.db2.gz CKAIKXUPHNBELL-AXFHLTTASA-N 0 3 207.292 3.369 20 0 BGADHN C[C@H](c1ccccc1F)N1[C@H](C)C[C@H]1C ZINC000548753642 388557808 /nfs/dbraw/zinc/55/78/08/388557808.db2.gz CKAIKXUPHNBELL-GMTAPVOTSA-N 0 3 207.292 3.369 20 0 BGADHN C[C@@H](c1ccccc1F)N1[C@H](C)C[C@H]1C ZINC000548753643 325478779 /nfs/dbraw/zinc/47/87/79/325478779.db2.gz CKAIKXUPHNBELL-MXWKQRLJSA-N 0 3 207.292 3.369 20 0 BGADHN C[C@H](c1ccccc1F)N1[C@H](C)C[C@@H]1C ZINC000548753644 388557379 /nfs/dbraw/zinc/55/73/79/388557379.db2.gz CKAIKXUPHNBELL-OUAUKWLOSA-N 0 3 207.292 3.369 20 0 BGADHN C[C@@H]1C[C@@H](C)N1CCc1ccccc1Cl ZINC000548753805 325478431 /nfs/dbraw/zinc/47/84/31/325478431.db2.gz QUMSESTYGSOADU-GHMZBOCLSA-N 0 3 223.747 3.365 20 0 BGADHN C[C@@H]1C[C@H](C)N1CCc1ccccc1Cl ZINC000548753810 388557726 /nfs/dbraw/zinc/55/77/26/388557726.db2.gz QUMSESTYGSOADU-PHIMTYICSA-N 0 3 223.747 3.365 20 0 BGADHN C[C@H]1C[C@H](C)N1CCc1ccccc1Cl ZINC000548753811 325478472 /nfs/dbraw/zinc/47/84/72/325478472.db2.gz QUMSESTYGSOADU-QWRGUYRKSA-N 0 3 223.747 3.365 20 0 BGADHN Cc1cc(CN2[C@H](C)C[C@@H]2C)c(C)s1 ZINC000548753864 388557039 /nfs/dbraw/zinc/55/70/39/388557039.db2.gz WFKHQFKTLWOLPO-DTORHVGOSA-N 0 3 209.358 3.348 20 0 BGADHN Cc1cc(CN2[C@@H](C)C[C@@H]2C)c(C)s1 ZINC000548753865 325478477 /nfs/dbraw/zinc/47/84/77/325478477.db2.gz WFKHQFKTLWOLPO-IUCAKERBSA-N 0 3 209.358 3.348 20 0 BGADHN Cc1cc(CN2[C@H](C)C[C@H]2C)c(C)s1 ZINC000548753866 388556799 /nfs/dbraw/zinc/55/67/99/388556799.db2.gz WFKHQFKTLWOLPO-RKDXNWHRSA-N 0 3 209.358 3.348 20 0 BGADHN Cc1cc(F)ccc1CN1[C@H](C)C[C@H]1C ZINC000548754581 323857817 /nfs/dbraw/zinc/85/78/17/323857817.db2.gz ATHOZNXQHDQFJU-GHMZBOCLSA-N 0 3 207.292 3.117 20 0 BGADHN Cc1cc(F)ccc1CN1[C@H](C)C[C@@H]1C ZINC000548754588 388009178 /nfs/dbraw/zinc/00/91/78/388009178.db2.gz ATHOZNXQHDQFJU-PHIMTYICSA-N 0 3 207.292 3.117 20 0 BGADHN Cc1cc(F)ccc1CN1[C@@H](C)C[C@@H]1C ZINC000548754600 323857667 /nfs/dbraw/zinc/85/76/67/323857667.db2.gz ATHOZNXQHDQFJU-QWRGUYRKSA-N 0 3 207.292 3.117 20 0 BGADHN C[C@@H]1C[C@H](C)N1C[C@H]1CCC2(CCCCC2)O1 ZINC000548754725 388557787 /nfs/dbraw/zinc/55/77/87/388557787.db2.gz KBFDZNNNFPNLLU-HZSPNIEDSA-N 0 3 237.387 3.351 20 0 BGADHN C[C@@H]1C[C@@H](C)N1C[C@@H]1CCC2(CCCCC2)O1 ZINC000548754726 388557631 /nfs/dbraw/zinc/55/76/31/388557631.db2.gz KBFDZNNNFPNLLU-MCIONIFRSA-N 0 3 237.387 3.351 20 0 BGADHN C[C@@H]1C[C@@H](C)N1C[C@H]1CCC2(CCCCC2)O1 ZINC000548754727 388557966 /nfs/dbraw/zinc/55/79/66/388557966.db2.gz KBFDZNNNFPNLLU-MGPQQGTHSA-N 0 3 237.387 3.351 20 0 BGADHN C[C@@H]1C[C@H](C)N1C[C@@H]1CCC2(CCCCC2)O1 ZINC000548754728 388557286 /nfs/dbraw/zinc/55/72/86/388557286.db2.gz KBFDZNNNFPNLLU-MJBXVCDLSA-N 0 3 237.387 3.351 20 0 BGADHN CC(C)OC[C@@H](C)NCc1cc2ccccc2o1 ZINC000548786246 325484232 /nfs/dbraw/zinc/48/42/32/325484232.db2.gz LRWAPAYCNFZZAM-GFCCVEGCSA-N 0 3 247.338 3.336 20 0 BGADHN CC(C)OC[C@H](C)NCc1cc2ccccc2o1 ZINC000548786247 388561989 /nfs/dbraw/zinc/56/19/89/388561989.db2.gz LRWAPAYCNFZZAM-LBPRGKRZSA-N 0 3 247.338 3.336 20 0 BGADHN CC(C)n1cc([C@H](C)N[C@@H]2CCC23CCC3)cn1 ZINC000548794501 388563115 /nfs/dbraw/zinc/56/31/15/388563115.db2.gz IZWNSRAATVLYTG-GXTWGEPZSA-N 0 3 247.386 3.447 20 0 BGADHN CC(C)n1cc([C@H](C)N[C@H]2CCC23CCC3)cn1 ZINC000548794502 388563426 /nfs/dbraw/zinc/56/34/26/388563426.db2.gz IZWNSRAATVLYTG-JSGCOSHPSA-N 0 3 247.386 3.447 20 0 BGADHN CC(C)n1cc([C@@H](C)N[C@H]2CCC23CCC3)cn1 ZINC000548794503 388562806 /nfs/dbraw/zinc/56/28/06/388562806.db2.gz IZWNSRAATVLYTG-OCCSQVGLSA-N 0 3 247.386 3.447 20 0 BGADHN CC(C)n1cc([C@@H](C)N[C@@H]2CCC23CCC3)cn1 ZINC000548794504 325484873 /nfs/dbraw/zinc/48/48/73/325484873.db2.gz IZWNSRAATVLYTG-TZMCWYRMSA-N 0 3 247.386 3.447 20 0 BGADHN COCC1(N[C@@H]2CC(C)(C)Cc3occc32)CC1 ZINC000548811368 388563728 /nfs/dbraw/zinc/56/37/28/388563728.db2.gz AWOYDHTUNNJFMQ-GFCCVEGCSA-N 0 3 249.354 3.062 20 0 BGADHN COCC1(N[C@H]2CC(C)(C)Cc3occc32)CC1 ZINC000548811369 325485964 /nfs/dbraw/zinc/48/59/64/325485964.db2.gz AWOYDHTUNNJFMQ-LBPRGKRZSA-N 0 3 249.354 3.062 20 0 BGADHN CCC[C@@H](C)N1CCO[C@@](C)(c2ccccc2)C1 ZINC000548844475 388566167 /nfs/dbraw/zinc/56/61/67/388566167.db2.gz BJTQCFQZEKMOCH-GDBMZVCRSA-N 0 3 247.382 3.423 20 0 BGADHN CCC[C@H](C)N1CCO[C@@](C)(c2ccccc2)C1 ZINC000548844479 388565840 /nfs/dbraw/zinc/56/58/40/388565840.db2.gz BJTQCFQZEKMOCH-GOEBONIOSA-N 0 3 247.382 3.423 20 0 BGADHN CCC[C@H](C)N1CCO[C@](C)(c2ccccc2)C1 ZINC000548844481 383898998 /nfs/dbraw/zinc/89/89/98/383898998.db2.gz BJTQCFQZEKMOCH-HOCLYGCPSA-N 0 3 247.382 3.423 20 0 BGADHN CCC[C@@H](C)N1CCO[C@](C)(c2ccccc2)C1 ZINC000548844482 383899316 /nfs/dbraw/zinc/89/93/16/383899316.db2.gz BJTQCFQZEKMOCH-ZBFHGGJFSA-N 0 3 247.382 3.423 20 0 BGADHN C[C@@H](N[C@@H]1CCC[C@H]1OC(F)F)c1ccoc1 ZINC000548874180 325490429 /nfs/dbraw/zinc/49/04/29/325490429.db2.gz ZYDZCGVNALQQCJ-FBIMIBRVSA-N 0 3 245.269 3.091 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@H]1OC(F)F)c1ccoc1 ZINC000548874181 388566921 /nfs/dbraw/zinc/56/69/21/388566921.db2.gz ZYDZCGVNALQQCJ-JMJZKYOTSA-N 0 3 245.269 3.091 20 0 BGADHN Fc1ccc2c(c1)[C@@H](N[C@@H]1CCC[C@H]3C[C@H]31)CO2 ZINC000548882502 325491332 /nfs/dbraw/zinc/49/13/32/325491332.db2.gz ARRFAYRKOBNECY-FRJFDASCSA-N 0 3 247.313 3.037 20 0 BGADHN Fc1ccc2c(c1)[C@@H](N[C@H]1CCC[C@H]3C[C@H]31)CO2 ZINC000548882503 388567754 /nfs/dbraw/zinc/56/77/54/388567754.db2.gz ARRFAYRKOBNECY-HYKPAMGXSA-N 0 3 247.313 3.037 20 0 BGADHN Fc1ccc2c(c1)[C@H](N[C@H]1CCC[C@H]3C[C@H]31)CO2 ZINC000548882504 325491259 /nfs/dbraw/zinc/49/12/59/325491259.db2.gz ARRFAYRKOBNECY-PCGAWMICSA-N 0 3 247.313 3.037 20 0 BGADHN Fc1ccc2c(c1)[C@H](N[C@@H]1CCC[C@H]3C[C@H]31)CO2 ZINC000548882505 388568127 /nfs/dbraw/zinc/56/81/27/388568127.db2.gz ARRFAYRKOBNECY-RMIQQSQVSA-N 0 3 247.313 3.037 20 0 BGADHN CC(C)(CNCc1cccc(O)c1)C(F)(F)F ZINC000548972817 388569295 /nfs/dbraw/zinc/56/92/95/388569295.db2.gz WTOFUZWFEIPEIJ-UHFFFAOYSA-N 0 3 247.260 3.070 20 0 BGADHN Cc1ccc(CNCC(C)(C)C(F)(F)F)nc1 ZINC000548972925 388569851 /nfs/dbraw/zinc/56/98/51/388569851.db2.gz PIRYNTGEANGCCH-UHFFFAOYSA-N 0 3 246.276 3.068 20 0 BGADHN CC(C)CCCNCc1ccc2c(n1)CCCC2 ZINC000548981745 325494006 /nfs/dbraw/zinc/49/40/06/325494006.db2.gz WURGGQNSNWRWPB-UHFFFAOYSA-N 0 3 246.398 3.486 20 0 BGADHN C[C@H](C1CCCCC1)N(C)Cc1ccno1 ZINC000549159536 487724314 /nfs/dbraw/zinc/72/43/14/487724314.db2.gz XAKYTKPMTLDRFT-LLVKDONJSA-N 0 3 222.332 3.075 20 0 BGADHN C[C@@H](C1CCCCC1)N(C)Cc1ccno1 ZINC000549159537 487724048 /nfs/dbraw/zinc/72/40/48/487724048.db2.gz XAKYTKPMTLDRFT-NSHDSACASA-N 0 3 222.332 3.075 20 0 BGADHN CC[C@H](O)CN(C)Cc1ccc(C(C)(C)C)cc1 ZINC000549345852 388576604 /nfs/dbraw/zinc/57/66/04/388576604.db2.gz RJDHXOWVLOSFAK-HNNXBMFYSA-N 0 3 249.398 3.187 20 0 BGADHN CC(C)COc1cccc(CN2CC(C)C2)c1 ZINC000549411220 388579178 /nfs/dbraw/zinc/57/91/78/388579178.db2.gz ZNGVRADSPXXONL-UHFFFAOYSA-N 0 3 233.355 3.173 20 0 BGADHN CC[C@H]1CCC[C@H](CN2CCOCC23CC3)C1 ZINC000549451830 388579525 /nfs/dbraw/zinc/57/95/25/388579525.db2.gz RWUCNWAKXCIYCD-KBPBESRZSA-N 0 3 237.387 3.068 20 0 BGADHN CC[C@@H]1CCC[C@H](CN2CCOCC23CC3)C1 ZINC000549451831 388580579 /nfs/dbraw/zinc/58/05/79/388580579.db2.gz RWUCNWAKXCIYCD-KGLIPLIRSA-N 0 3 237.387 3.068 20 0 BGADHN CC[C@H]1CCC[C@@H](CN2CCOCC23CC3)C1 ZINC000549451832 388580096 /nfs/dbraw/zinc/58/00/96/388580096.db2.gz RWUCNWAKXCIYCD-UONOGXRCSA-N 0 3 237.387 3.068 20 0 BGADHN CC[C@@H]1CCC[C@@H](CN2CCOCC23CC3)C1 ZINC000549451833 388579737 /nfs/dbraw/zinc/57/97/37/388579737.db2.gz RWUCNWAKXCIYCD-ZIAGYGMSSA-N 0 3 237.387 3.068 20 0 BGADHN CCC[C@H]1CN([C@@H]2C=CCCCCC2)CCO1 ZINC000549531929 388583271 /nfs/dbraw/zinc/58/32/71/388583271.db2.gz LIMZCTJMXIGAGU-CABCVRRESA-N 0 3 237.387 3.376 20 0 BGADHN CCC[C@H]1CN([C@H]2C=CCCCCC2)CCO1 ZINC000549531932 388583286 /nfs/dbraw/zinc/58/32/86/388583286.db2.gz LIMZCTJMXIGAGU-GJZGRUSLSA-N 0 3 237.387 3.376 20 0 BGADHN CCC[C@@H]1CN([C@@H]2C=CCCCCC2)CCO1 ZINC000549531935 388583555 /nfs/dbraw/zinc/58/35/55/388583555.db2.gz LIMZCTJMXIGAGU-HUUCEWRRSA-N 0 3 237.387 3.376 20 0 BGADHN CCC[C@@H]1CN([C@H]2C=CCCCCC2)CCO1 ZINC000549531937 388583396 /nfs/dbraw/zinc/58/33/96/388583396.db2.gz LIMZCTJMXIGAGU-LSDHHAIUSA-N 0 3 237.387 3.376 20 0 BGADHN CC[C@@]1(C)CN([C@@H]2C=CCCCCC2)CCO1 ZINC000549609927 388585341 /nfs/dbraw/zinc/58/53/41/388585341.db2.gz DOILPQZSUYIJAT-CABCVRRESA-N 0 3 237.387 3.376 20 0 BGADHN CC[C@@]1(C)CN([C@H]2C=CCCCCC2)CCO1 ZINC000549609930 388585223 /nfs/dbraw/zinc/58/52/23/388585223.db2.gz DOILPQZSUYIJAT-GJZGRUSLSA-N 0 3 237.387 3.376 20 0 BGADHN CC[C@]1(C)CN([C@@H]2C=CCCCCC2)CCO1 ZINC000549609931 398139969 /nfs/dbraw/zinc/13/99/69/398139969.db2.gz DOILPQZSUYIJAT-HUUCEWRRSA-N 0 3 237.387 3.376 20 0 BGADHN CC[C@]1(C)CN([C@H]2C=CCCCCC2)CCO1 ZINC000549609933 398139690 /nfs/dbraw/zinc/13/96/90/398139690.db2.gz DOILPQZSUYIJAT-LSDHHAIUSA-N 0 3 237.387 3.376 20 0 BGADHN Cc1c(CN(C)[C@H]2C=CCCCCC2)cnn1C ZINC000549615201 388585621 /nfs/dbraw/zinc/58/56/21/388585621.db2.gz SYLDKHVFSUTEFA-HNNXBMFYSA-N 0 3 247.386 3.049 20 0 BGADHN Cc1c(CN(C)[C@@H]2C=CCCCCC2)cnn1C ZINC000549615202 388585177 /nfs/dbraw/zinc/58/51/77/388585177.db2.gz SYLDKHVFSUTEFA-OAHLLOKOSA-N 0 3 247.386 3.049 20 0 BGADHN C[C@H](CN1CCOCC12CC2)C1CCCCC1 ZINC000549689431 388588559 /nfs/dbraw/zinc/58/85/59/388588559.db2.gz XWUXGZWTHONCNM-CYBMUJFWSA-N 0 3 237.387 3.068 20 0 BGADHN C[C@@H](CN1CCOCC12CC2)C1CCCCC1 ZINC000549689432 388588123 /nfs/dbraw/zinc/58/81/23/388588123.db2.gz XWUXGZWTHONCNM-ZDUSSCGKSA-N 0 3 237.387 3.068 20 0 BGADHN Cc1ccc2nccc(N[C@@H]3CCC[C@@H]3F)c2c1 ZINC000549699928 325512292 /nfs/dbraw/zinc/51/22/92/325512292.db2.gz XGQUYPCXJRLALD-SWLSCSKDSA-N 0 3 244.313 3.268 20 0 BGADHN CCc1nocc1CN[C@@H]1C[C@H]1C1CCCCC1 ZINC000549764906 325515216 /nfs/dbraw/zinc/51/52/16/325515216.db2.gz YORQAUHJAVMOJH-DZGCQCFKSA-N 0 3 248.370 3.295 20 0 BGADHN CCc1nocc1CN[C@H]1C[C@@H]1C1CCCCC1 ZINC000549764907 388590425 /nfs/dbraw/zinc/59/04/25/388590425.db2.gz YORQAUHJAVMOJH-HIFRSBDPSA-N 0 3 248.370 3.295 20 0 BGADHN CCc1nocc1CN[C@@H]1C[C@@H]1C1CCCCC1 ZINC000549764908 388590604 /nfs/dbraw/zinc/59/06/04/388590604.db2.gz YORQAUHJAVMOJH-UKRRQHHQSA-N 0 3 248.370 3.295 20 0 BGADHN CCc1nocc1CN[C@H]1C[C@H]1C1CCCCC1 ZINC000549764909 388590664 /nfs/dbraw/zinc/59/06/64/388590664.db2.gz YORQAUHJAVMOJH-ZFWWWQNUSA-N 0 3 248.370 3.295 20 0 BGADHN CC1CN(Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC000549808839 388591629 /nfs/dbraw/zinc/59/16/29/388591629.db2.gz XSFZWIPQUKGWCA-UHFFFAOYSA-N 0 3 245.366 3.242 20 0 BGADHN CC(C)c1ccc(CN2CC(C)C2)cc1 ZINC000549810862 388591614 /nfs/dbraw/zinc/59/16/14/388591614.db2.gz UEDWJCSKQCHMRG-UHFFFAOYSA-N 0 3 203.329 3.262 20 0 BGADHN CC[C@@H]1CN([C@H]2C=CCCCCC2)C[C@@H](C)O1 ZINC000549846135 388592577 /nfs/dbraw/zinc/59/25/77/388592577.db2.gz VACAIDGXLJTYDQ-QLFBSQMISA-N 0 3 237.387 3.375 20 0 BGADHN CC[C@@H]1CN([C@@H]2C=CCCCCC2)C[C@@H](C)O1 ZINC000549846136 388592392 /nfs/dbraw/zinc/59/23/92/388592392.db2.gz VACAIDGXLJTYDQ-RBSFLKMASA-N 0 3 237.387 3.375 20 0 BGADHN CC[C@@H]1CN([C@@H]2C=CCCCCC2)C[C@H](C)O1 ZINC000549846137 388592527 /nfs/dbraw/zinc/59/25/27/388592527.db2.gz VACAIDGXLJTYDQ-RRFJBIMHSA-N 0 3 237.387 3.375 20 0 BGADHN CC[C@@H]1CN([C@H]2C=CCCCCC2)C[C@H](C)O1 ZINC000549846138 388592571 /nfs/dbraw/zinc/59/25/71/388592571.db2.gz VACAIDGXLJTYDQ-SOUVJXGZSA-N 0 3 237.387 3.375 20 0 BGADHN Cc1ccc(OCCCN2C[C@@H](C)[C@@H]2C)cc1C ZINC000549923893 388595807 /nfs/dbraw/zinc/59/58/07/388595807.db2.gz OEDNXOCXLAUCMY-CABCVRRESA-N 0 3 247.382 3.413 20 0 BGADHN Cc1ccc(OCCCN2C[C@H](C)[C@@H]2C)cc1C ZINC000549923894 384365396 /nfs/dbraw/zinc/36/53/96/384365396.db2.gz OEDNXOCXLAUCMY-GJZGRUSLSA-N 0 3 247.382 3.413 20 0 BGADHN Cc1ccc(OCCCN2C[C@@H](C)[C@H]2C)cc1C ZINC000549923895 384365004 /nfs/dbraw/zinc/36/50/04/384365004.db2.gz OEDNXOCXLAUCMY-HUUCEWRRSA-N 0 3 247.382 3.413 20 0 BGADHN Cc1ccc(OCCCN2C[C@H](C)[C@H]2C)cc1C ZINC000549923896 384366674 /nfs/dbraw/zinc/36/66/74/384366674.db2.gz OEDNXOCXLAUCMY-LSDHHAIUSA-N 0 3 247.382 3.413 20 0 BGADHN C[C@@H](Cc1ccc(F)cc1)N[C@H]1CCC[C@H]1F ZINC000549934327 388595367 /nfs/dbraw/zinc/59/53/67/388595367.db2.gz HCPVUSNKCYFGSK-GDLCADMTSA-N 0 3 239.309 3.237 20 0 BGADHN C[C@H](Cc1ccc(F)cc1)N[C@H]1CCC[C@H]1F ZINC000549934328 388595323 /nfs/dbraw/zinc/59/53/23/388595323.db2.gz HCPVUSNKCYFGSK-HONMWMINSA-N 0 3 239.309 3.237 20 0 BGADHN COc1ccccc1/C=C\CN[C@H]1CCC[C@H]1F ZINC000549936177 325519797 /nfs/dbraw/zinc/51/97/97/325519797.db2.gz QCMHHYGVZCNBQS-RKWPFYGESA-N 0 3 249.329 3.189 20 0 BGADHN COc1ccccc1/C=C/CN[C@H]1CCC[C@H]1F ZINC000549936181 388595653 /nfs/dbraw/zinc/59/56/53/388595653.db2.gz QCMHHYGVZCNBQS-UMGRQFOVSA-N 0 3 249.329 3.189 20 0 BGADHN C[C@@H]1CN([C@@H]2C=CCCCCC2)C[C@@H](C2CC2)O1 ZINC000549999656 388596362 /nfs/dbraw/zinc/59/63/62/388596362.db2.gz HONQXPLZYMXJHX-BMFZPTHFSA-N 0 3 249.398 3.375 20 0 BGADHN C[C@@H]1CN([C@@H]2C=CCCCCC2)C[C@H](C2CC2)O1 ZINC000549999657 388596471 /nfs/dbraw/zinc/59/64/71/388596471.db2.gz HONQXPLZYMXJHX-FVQBIDKESA-N 0 3 249.398 3.375 20 0 BGADHN C[C@@H]1CN([C@H]2C=CCCCCC2)C[C@@H](C2CC2)O1 ZINC000549999658 388596244 /nfs/dbraw/zinc/59/62/44/388596244.db2.gz HONQXPLZYMXJHX-KBMXLJTQSA-N 0 3 249.398 3.375 20 0 BGADHN C[C@@H]1CN([C@H]2C=CCCCCC2)C[C@H](C2CC2)O1 ZINC000549999659 388596549 /nfs/dbraw/zinc/59/65/49/388596549.db2.gz HONQXPLZYMXJHX-VNQPRFMTSA-N 0 3 249.398 3.375 20 0 BGADHN Cc1ccc(CCCN2CCC[C@H]2CF)cc1 ZINC000550010184 388596752 /nfs/dbraw/zinc/59/67/52/388596752.db2.gz AOHGIGZEQXYMLP-HNNXBMFYSA-N 0 3 235.346 3.362 20 0 BGADHN Cc1ccc(CCCN2CCC[C@@H]2CF)cc1 ZINC000550010196 388596414 /nfs/dbraw/zinc/59/64/14/388596414.db2.gz AOHGIGZEQXYMLP-OAHLLOKOSA-N 0 3 235.346 3.362 20 0 BGADHN Cc1ccccc1CCCN1CCC[C@H]1CF ZINC000550010705 388596854 /nfs/dbraw/zinc/59/68/54/388596854.db2.gz UDVDCPIIPGWQOO-HNNXBMFYSA-N 0 3 235.346 3.362 20 0 BGADHN Cc1ccccc1CCCN1CCC[C@@H]1CF ZINC000550010706 388596372 /nfs/dbraw/zinc/59/63/72/388596372.db2.gz UDVDCPIIPGWQOO-OAHLLOKOSA-N 0 3 235.346 3.362 20 0 BGADHN Cc1cccc(OCCN2CC=C(C)CC2)c1 ZINC000550020821 364554290 /nfs/dbraw/zinc/55/42/90/364554290.db2.gz RKPJEFODMLJHOK-UHFFFAOYSA-N 0 3 231.339 3.026 20 0 BGADHN Cc1cccc(CCCN2CCC[C@H]2CF)c1 ZINC000550032497 388597488 /nfs/dbraw/zinc/59/74/88/388597488.db2.gz OPXPRTFKRHSDIA-HNNXBMFYSA-N 0 3 235.346 3.362 20 0 BGADHN Cc1cccc(CCCN2CCC[C@@H]2CF)c1 ZINC000550032498 388597309 /nfs/dbraw/zinc/59/73/09/388597309.db2.gz OPXPRTFKRHSDIA-OAHLLOKOSA-N 0 3 235.346 3.362 20 0 BGADHN FC[C@H]1CCCN1CCC1CCCCC1 ZINC000550032714 388597497 /nfs/dbraw/zinc/59/74/97/388597497.db2.gz USCHYLNSNCQGNQ-CYBMUJFWSA-N 0 3 213.340 3.391 20 0 BGADHN FC[C@@H]1CCCN1CCC1CCCCC1 ZINC000550032715 388597957 /nfs/dbraw/zinc/59/79/57/388597957.db2.gz USCHYLNSNCQGNQ-ZDUSSCGKSA-N 0 3 213.340 3.391 20 0 BGADHN COc1ccc(F)c(CNC2CCCCC2)c1 ZINC000550078218 388598880 /nfs/dbraw/zinc/59/88/80/388598880.db2.gz XHJMPNGOVMFLLO-UHFFFAOYSA-N 0 3 237.318 3.257 20 0 BGADHN CCC(CC)CNCc1cc(OC)ccc1F ZINC000550144512 325524584 /nfs/dbraw/zinc/52/45/84/325524584.db2.gz HAMVRXOHGHNPOY-UHFFFAOYSA-N 0 3 239.334 3.360 20 0 BGADHN COc1ccc(F)c(CNC[C@@H](C)C(C)C)c1 ZINC000550156099 388601127 /nfs/dbraw/zinc/60/11/27/388601127.db2.gz KISHLTJARSEFDL-LLVKDONJSA-N 0 3 239.334 3.216 20 0 BGADHN COc1ccc(F)c(CNC[C@H](C)C(C)C)c1 ZINC000550156100 388600929 /nfs/dbraw/zinc/60/09/29/388600929.db2.gz KISHLTJARSEFDL-NSHDSACASA-N 0 3 239.334 3.216 20 0 BGADHN COc1ccc(F)c(CN[C@H](C)CC(C)C)c1 ZINC000550174686 388600699 /nfs/dbraw/zinc/60/06/99/388600699.db2.gz STRPPMRHEDDZBS-LLVKDONJSA-N 0 3 239.334 3.359 20 0 BGADHN COc1ccc(F)c(CN[C@@H](C)CC(C)C)c1 ZINC000550174687 388600478 /nfs/dbraw/zinc/60/04/78/388600478.db2.gz STRPPMRHEDDZBS-NSHDSACASA-N 0 3 239.334 3.359 20 0 BGADHN CCc1nocc1CNCC(C)(C)C(C)(C)C ZINC000550217247 325526122 /nfs/dbraw/zinc/52/61/22/325526122.db2.gz QPGCAAJOCUNPRP-UHFFFAOYSA-N 0 3 238.375 3.399 20 0 BGADHN CCc1nocc1CN[C@H]1CC[C@H](CC)CC1 ZINC000550218086 388602800 /nfs/dbraw/zinc/60/28/00/388602800.db2.gz CUFHWEPNDVOOND-AULYBMBSSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1ccc(CN2C[C@@H](C)[C@@H]2C)cc1 ZINC000550304878 388605565 /nfs/dbraw/zinc/60/55/65/388605565.db2.gz OIQAENKXWLUNCI-NEPJUHHUSA-N 0 3 203.329 3.089 20 0 BGADHN CCc1ccc(CN2C[C@H](C)[C@H]2C)cc1 ZINC000550304896 388605738 /nfs/dbraw/zinc/60/57/38/388605738.db2.gz OIQAENKXWLUNCI-NWDGAFQWSA-N 0 3 203.329 3.089 20 0 BGADHN CCc1ccc(CN2C[C@H](C)[C@@H]2C)cc1 ZINC000550304898 388605255 /nfs/dbraw/zinc/60/52/55/388605255.db2.gz OIQAENKXWLUNCI-RYUDHWBXSA-N 0 3 203.329 3.089 20 0 BGADHN CCc1ccc(CN2C[C@@H](C)[C@H]2C)cc1 ZINC000550304899 388605432 /nfs/dbraw/zinc/60/54/32/388605432.db2.gz OIQAENKXWLUNCI-VXGBXAGGSA-N 0 3 203.329 3.089 20 0 BGADHN C[C@@H]1CN(CCSc2ccc(F)cc2)[C@@H]1C ZINC000550305132 388605372 /nfs/dbraw/zinc/60/53/72/388605372.db2.gz WFHLXFXWTVASDV-GHMZBOCLSA-N 0 3 239.359 3.258 20 0 BGADHN C[C@@H]1CN(CCSc2ccc(F)cc2)[C@H]1C ZINC000550305133 388605260 /nfs/dbraw/zinc/60/52/60/388605260.db2.gz WFHLXFXWTVASDV-MNOVXSKESA-N 0 3 239.359 3.258 20 0 BGADHN C[C@H]1CN(CCSc2ccc(F)cc2)[C@H]1C ZINC000550305134 388605898 /nfs/dbraw/zinc/60/58/98/388605898.db2.gz WFHLXFXWTVASDV-QWRGUYRKSA-N 0 3 239.359 3.258 20 0 BGADHN C[C@@H]1[C@@H](C)CN1CCSc1ccc(F)cc1 ZINC000550305135 388605544 /nfs/dbraw/zinc/60/55/44/388605544.db2.gz WFHLXFXWTVASDV-WDEREUQCSA-N 0 3 239.359 3.258 20 0 BGADHN Cc1cccc(C)c1OCCN1C[C@H](C)[C@@H]1C ZINC000550305952 388605571 /nfs/dbraw/zinc/60/55/71/388605571.db2.gz MGLNNURIDFVIRG-KBPBESRZSA-N 0 3 233.355 3.022 20 0 BGADHN Cc1cccc(C)c1OCCN1C[C@@H](C)[C@@H]1C ZINC000550305954 388605292 /nfs/dbraw/zinc/60/52/92/388605292.db2.gz MGLNNURIDFVIRG-KGLIPLIRSA-N 0 3 233.355 3.022 20 0 BGADHN Cc1cccc(C)c1OCCN1C[C@H](C)[C@H]1C ZINC000550305955 388605513 /nfs/dbraw/zinc/60/55/13/388605513.db2.gz MGLNNURIDFVIRG-UONOGXRCSA-N 0 3 233.355 3.022 20 0 BGADHN Cc1cccc(C)c1OCCN1C[C@@H](C)[C@H]1C ZINC000550305956 388605831 /nfs/dbraw/zinc/60/58/31/388605831.db2.gz MGLNNURIDFVIRG-ZIAGYGMSSA-N 0 3 233.355 3.022 20 0 BGADHN C[C@@H]1CN(C/C=C/c2ccccc2)[C@@H]1C ZINC000550311101 388605583 /nfs/dbraw/zinc/60/55/83/388605583.db2.gz CVHPBSQZTKSFMF-BHAGLWOSSA-N 0 3 201.313 3.040 20 0 BGADHN C[C@@H]1CN(C/C=C\c2ccccc2)[C@@H]1C ZINC000550311102 388605406 /nfs/dbraw/zinc/60/54/06/388605406.db2.gz CVHPBSQZTKSFMF-KPRDYVAISA-N 0 3 201.313 3.040 20 0 BGADHN C[C@@H]1CN(C/C=C/c2ccccc2)[C@H]1C ZINC000550311103 388605380 /nfs/dbraw/zinc/60/53/80/388605380.db2.gz CVHPBSQZTKSFMF-RXFWDACYSA-N 0 3 201.313 3.040 20 0 BGADHN C[C@@H]1CN(C/C=C\c2ccccc2)[C@H]1C ZINC000550311104 388605730 /nfs/dbraw/zinc/60/57/30/388605730.db2.gz CVHPBSQZTKSFMF-VDQNYZKDSA-N 0 3 201.313 3.040 20 0 BGADHN Cc1ccc(C)c(OCCCN2C[C@@H](C)[C@@H]2C)c1 ZINC000550312147 388605458 /nfs/dbraw/zinc/60/54/58/388605458.db2.gz ZWRCISHAYSKFRY-CABCVRRESA-N 0 3 247.382 3.413 20 0 BGADHN Cc1ccc(C)c(OCCCN2C[C@H](C)[C@@H]2C)c1 ZINC000550312182 388605721 /nfs/dbraw/zinc/60/57/21/388605721.db2.gz ZWRCISHAYSKFRY-GJZGRUSLSA-N 0 3 247.382 3.413 20 0 BGADHN Cc1ccc(C)c(OCCCN2C[C@@H](C)[C@H]2C)c1 ZINC000550312183 388605365 /nfs/dbraw/zinc/60/53/65/388605365.db2.gz ZWRCISHAYSKFRY-HUUCEWRRSA-N 0 3 247.382 3.413 20 0 BGADHN Cc1ccc(C)c(OCCCN2C[C@H](C)[C@H]2C)c1 ZINC000550312185 388605885 /nfs/dbraw/zinc/60/58/85/388605885.db2.gz ZWRCISHAYSKFRY-LSDHHAIUSA-N 0 3 247.382 3.413 20 0 BGADHN Cc1cccc(C)c1OCCCN1C[C@@H](C)[C@@H]1C ZINC000550312480 388605807 /nfs/dbraw/zinc/60/58/07/388605807.db2.gz YGFHUYGWQIWJQH-CABCVRRESA-N 0 3 247.382 3.413 20 0 BGADHN Cc1cccc(C)c1OCCCN1C[C@H](C)[C@@H]1C ZINC000550312481 388605850 /nfs/dbraw/zinc/60/58/50/388605850.db2.gz YGFHUYGWQIWJQH-GJZGRUSLSA-N 0 3 247.382 3.413 20 0 BGADHN Cc1cccc(C)c1OCCCN1C[C@@H](C)[C@H]1C ZINC000550312482 388605357 /nfs/dbraw/zinc/60/53/57/388605357.db2.gz YGFHUYGWQIWJQH-HUUCEWRRSA-N 0 3 247.382 3.413 20 0 BGADHN Cc1cccc(C)c1OCCCN1C[C@H](C)[C@H]1C ZINC000550312483 388605692 /nfs/dbraw/zinc/60/56/92/388605692.db2.gz YGFHUYGWQIWJQH-LSDHHAIUSA-N 0 3 247.382 3.413 20 0 BGADHN C[C@@H]1CN(CCSC2CCCCC2)[C@H]1C ZINC000550315449 490188453 /nfs/dbraw/zinc/18/84/53/490188453.db2.gz JWYUYAULUJGZDD-NEPJUHHUSA-N 0 3 227.417 3.393 20 0 BGADHN C[C@@H]1[C@@H](C)CN1CCSC1CCCCC1 ZINC000550315450 490188184 /nfs/dbraw/zinc/18/81/84/490188184.db2.gz JWYUYAULUJGZDD-NWDGAFQWSA-N 0 3 227.417 3.393 20 0 BGADHN C[C@H]1CN(CCSC2CCCCC2)[C@H]1C ZINC000550315451 490188365 /nfs/dbraw/zinc/18/83/65/490188365.db2.gz JWYUYAULUJGZDD-RYUDHWBXSA-N 0 3 227.417 3.393 20 0 BGADHN C[C@@H]1CN(CCSC2CCCCC2)[C@@H]1C ZINC000550315452 490188345 /nfs/dbraw/zinc/18/83/45/490188345.db2.gz JWYUYAULUJGZDD-VXGBXAGGSA-N 0 3 227.417 3.393 20 0 BGADHN F[C@@H]1CCC[C@@H]1NCc1ccnc2ccccc12 ZINC000550320183 487731041 /nfs/dbraw/zinc/73/10/41/487731041.db2.gz VTIOQZRMTDZOAD-HIFRSBDPSA-N 0 3 244.313 3.215 20 0 BGADHN Cc1cccc([C@H](C)N2CCN(C)C(C)(C)C2)c1 ZINC000550654203 388612674 /nfs/dbraw/zinc/61/26/74/388612674.db2.gz MWSXGZVGJBFKFS-AWEZNQCLSA-N 0 3 246.398 3.082 20 0 BGADHN Cc1cccc([C@@H](C)N2CCN(C)C(C)(C)C2)c1 ZINC000550654204 388612436 /nfs/dbraw/zinc/61/24/36/388612436.db2.gz MWSXGZVGJBFKFS-CQSZACIVSA-N 0 3 246.398 3.082 20 0 BGADHN CCc1cc(CN[C@H]2CCCC23CCCC3)on1 ZINC000550661961 325536714 /nfs/dbraw/zinc/53/67/14/325536714.db2.gz KOPYEGOLHNMOCA-AWEZNQCLSA-N 0 3 248.370 3.440 20 0 BGADHN CCc1cc(CN[C@@H]2CCCC23CCCC3)on1 ZINC000550661962 388612626 /nfs/dbraw/zinc/61/26/26/388612626.db2.gz KOPYEGOLHNMOCA-CQSZACIVSA-N 0 3 248.370 3.440 20 0 BGADHN C[C@H](NCC(C1CC1)C1CC1)c1ccncc1F ZINC000550666491 388612643 /nfs/dbraw/zinc/61/26/43/388612643.db2.gz XRYQRYNIVRAKPV-JTQLQIEISA-N 0 3 248.345 3.308 20 0 BGADHN C[C@@H](NCC(C1CC1)C1CC1)c1ccncc1F ZINC000550666493 388612157 /nfs/dbraw/zinc/61/21/57/388612157.db2.gz XRYQRYNIVRAKPV-SNVBAGLBSA-N 0 3 248.345 3.308 20 0 BGADHN C[C@H](NCC1CC(C)(C)C1)c1ccncc1F ZINC000550795672 388614741 /nfs/dbraw/zinc/61/47/41/388614741.db2.gz VWRIGZGBIBZIPD-JTQLQIEISA-N 0 3 236.334 3.308 20 0 BGADHN C[C@@H](NCC1CC(C)(C)C1)c1ccncc1F ZINC000550795676 325539870 /nfs/dbraw/zinc/53/98/70/325539870.db2.gz VWRIGZGBIBZIPD-SNVBAGLBSA-N 0 3 236.334 3.308 20 0 BGADHN CCC(C)(C)CN[C@H](C)c1cn2ccccc2n1 ZINC000550900568 325542747 /nfs/dbraw/zinc/54/27/47/325542747.db2.gz RPPRBWVYMCCECY-GFCCVEGCSA-N 0 3 245.370 3.421 20 0 BGADHN CCC(C)(C)CN[C@@H](C)c1cn2ccccc2n1 ZINC000550900569 388616420 /nfs/dbraw/zinc/61/64/20/388616420.db2.gz RPPRBWVYMCCECY-LBPRGKRZSA-N 0 3 245.370 3.421 20 0 BGADHN COc1ccc(F)cc1CN[C@H]1CC=C(C)CC1 ZINC000550900925 325542976 /nfs/dbraw/zinc/54/29/76/325542976.db2.gz WZFBEWVFRMJBKM-AWEZNQCLSA-N 0 3 249.329 3.423 20 0 BGADHN COc1ccc(F)cc1CN[C@@H]1CC=C(C)CC1 ZINC000550900926 325542191 /nfs/dbraw/zinc/54/21/91/325542191.db2.gz WZFBEWVFRMJBKM-CQSZACIVSA-N 0 3 249.329 3.423 20 0 BGADHN CC[C@@H](NCCC(C)(C)C1CC1)c1ccn(C)n1 ZINC000550920551 325543442 /nfs/dbraw/zinc/54/34/42/325543442.db2.gz GALXZXQZJMPKHN-CYBMUJFWSA-N 0 3 249.402 3.287 20 0 BGADHN CC[C@H](NCCC(C)(C)C1CC1)c1ccn(C)n1 ZINC000550920552 388617582 /nfs/dbraw/zinc/61/75/82/388617582.db2.gz GALXZXQZJMPKHN-ZDUSSCGKSA-N 0 3 249.402 3.287 20 0 BGADHN F[C@@H]1CCC[C@@H]1NC1CC(c2ccccc2)C1 ZINC000550928596 325542981 /nfs/dbraw/zinc/54/29/81/325542981.db2.gz PNIQLNMSLLAKRQ-CVSAEHQPSA-N 0 3 233.330 3.413 20 0 BGADHN Fc1ccc2c(c1)CC[C@H]2N[C@H]1CCC[C@H]1F ZINC000550932454 388617491 /nfs/dbraw/zinc/61/74/91/388617491.db2.gz XIWFOQWKHCWMGG-MCIONIFRSA-N 0 3 237.293 3.293 20 0 BGADHN CC(C)O[C@H]1C[C@@H](N[C@@H]2CCC[C@@H]2F)C1(C)C ZINC000550932583 388617743 /nfs/dbraw/zinc/61/77/43/388617743.db2.gz LQZLIDAVEUOAOP-LOWDOPEQSA-N 0 3 243.366 3.059 20 0 BGADHN CC(C)O[C@H]1C[C@H](N[C@@H]2CCC[C@@H]2F)C1(C)C ZINC000550932584 325544045 /nfs/dbraw/zinc/54/40/45/325544045.db2.gz LQZLIDAVEUOAOP-RNJOBUHISA-N 0 3 243.366 3.059 20 0 BGADHN CC(C)O[C@@H]1C[C@@H](N[C@@H]2CCC[C@@H]2F)C1(C)C ZINC000550932585 388617590 /nfs/dbraw/zinc/61/75/90/388617590.db2.gz LQZLIDAVEUOAOP-UMSGYPCISA-N 0 3 243.366 3.059 20 0 BGADHN Oc1cccc2c1CCC[C@H]2N[C@@H]1CCC[C@@H]1F ZINC000550932737 388616881 /nfs/dbraw/zinc/61/68/81/388616881.db2.gz FSQXQBFMVJZQFB-BFHYXJOUSA-N 0 3 249.329 3.250 20 0 BGADHN COCC1(N[C@H](C)c2cccc(C3CC3)c2)CC1 ZINC000551137189 388622548 /nfs/dbraw/zinc/62/25/48/388622548.db2.gz SUCXYTKSHQVYOV-GFCCVEGCSA-N 0 3 245.366 3.394 20 0 BGADHN COCC1(N[C@@H](C)c2cccc(C3CC3)c2)CC1 ZINC000551137190 388622614 /nfs/dbraw/zinc/62/26/14/388622614.db2.gz SUCXYTKSHQVYOV-LBPRGKRZSA-N 0 3 245.366 3.394 20 0 BGADHN CC[C@]1(C)COCCN1C[C@@H](C)c1ccccc1 ZINC000551156704 388622701 /nfs/dbraw/zinc/62/27/01/388622701.db2.gz SUZMEBSOOVYQIU-GDBMZVCRSA-N 0 3 247.382 3.291 20 0 BGADHN CC[C@]1(C)COCCN1C[C@H](C)c1ccccc1 ZINC000551156705 388622495 /nfs/dbraw/zinc/62/24/95/388622495.db2.gz SUZMEBSOOVYQIU-GOEBONIOSA-N 0 3 247.382 3.291 20 0 BGADHN CC[C@@]1(C)COCCN1C[C@H](C)c1ccccc1 ZINC000551156706 388622476 /nfs/dbraw/zinc/62/24/76/388622476.db2.gz SUZMEBSOOVYQIU-HOCLYGCPSA-N 0 3 247.382 3.291 20 0 BGADHN CC[C@@]1(C)COCCN1C[C@@H](C)c1ccccc1 ZINC000551156707 388622852 /nfs/dbraw/zinc/62/28/52/388622852.db2.gz SUZMEBSOOVYQIU-ZBFHGGJFSA-N 0 3 247.382 3.291 20 0 BGADHN C(CN1CCOC[C@H]1C1CC1)C1CCCCC1 ZINC000551173684 388622423 /nfs/dbraw/zinc/62/24/23/388622423.db2.gz JGAWJKXXAXKHOX-HNNXBMFYSA-N 0 3 237.387 3.068 20 0 BGADHN C(CN1CCOC[C@@H]1C1CC1)C1CCCCC1 ZINC000551173685 388623049 /nfs/dbraw/zinc/62/30/49/388623049.db2.gz JGAWJKXXAXKHOX-OAHLLOKOSA-N 0 3 237.387 3.068 20 0 BGADHN Cc1ccc2nc(CNC(C)(C)C(C)C)cn2c1 ZINC000551184473 388622955 /nfs/dbraw/zinc/62/29/55/388622955.db2.gz DKVLCLQIOYGUAE-UHFFFAOYSA-N 0 3 245.370 3.167 20 0 BGADHN CCC[C@@H](CC)NCc1cn2cc(C)ccc2n1 ZINC000551185035 388622334 /nfs/dbraw/zinc/62/23/34/388622334.db2.gz KPFFXJFZJAOEOM-CYBMUJFWSA-N 0 3 245.370 3.311 20 0 BGADHN CCC[C@H](CC)NCc1cn2cc(C)ccc2n1 ZINC000551185036 325549659 /nfs/dbraw/zinc/54/96/59/325549659.db2.gz KPFFXJFZJAOEOM-ZDUSSCGKSA-N 0 3 245.370 3.311 20 0 BGADHN Cc1ccc2nc(CNC[C@@H](C)C(C)C)cn2c1 ZINC000551188422 325550047 /nfs/dbraw/zinc/55/00/47/325550047.db2.gz MOWMKYZABLMGQA-CYBMUJFWSA-N 0 3 245.370 3.024 20 0 BGADHN Cc1ccc2nc(CNC[C@H](C)C(C)C)cn2c1 ZINC000551188423 325549617 /nfs/dbraw/zinc/54/96/17/325549617.db2.gz MOWMKYZABLMGQA-ZDUSSCGKSA-N 0 3 245.370 3.024 20 0 BGADHN CC[C@H]1CC[C@H](N[C@@H](C)c2nccnc2C)CC1 ZINC000551210959 388623776 /nfs/dbraw/zinc/62/37/76/388623776.db2.gz DENHMUDPMJBBKE-IHRRRGAJSA-N 0 3 247.386 3.404 20 0 BGADHN CC[C@H]1CC[C@H](N[C@H](C)c2nccnc2C)CC1 ZINC000551210967 388623622 /nfs/dbraw/zinc/62/36/22/388623622.db2.gz DENHMUDPMJBBKE-MGPQQGTHSA-N 0 3 247.386 3.404 20 0 BGADHN CC(C)[C@H](C)CN[C@H](C)c1cn2ccccc2n1 ZINC000551267726 325552218 /nfs/dbraw/zinc/55/22/18/325552218.db2.gz UGEFIIWORICLMB-CHWSQXEVSA-N 0 3 245.370 3.277 20 0 BGADHN CC(C)[C@H](C)CN[C@@H](C)c1cn2ccccc2n1 ZINC000551267727 325552195 /nfs/dbraw/zinc/55/21/95/325552195.db2.gz UGEFIIWORICLMB-OLZOCXBDSA-N 0 3 245.370 3.277 20 0 BGADHN CC(C)[C@@H](C)CN[C@H](C)c1cn2ccccc2n1 ZINC000551267728 325552149 /nfs/dbraw/zinc/55/21/49/325552149.db2.gz UGEFIIWORICLMB-QWHCGFSZSA-N 0 3 245.370 3.277 20 0 BGADHN CC(C)[C@@H](C)CN[C@@H](C)c1cn2ccccc2n1 ZINC000551267729 325552216 /nfs/dbraw/zinc/55/22/16/325552216.db2.gz UGEFIIWORICLMB-STQMWFEESA-N 0 3 245.370 3.277 20 0 BGADHN CC1=CC[C@H](NCc2nccn2CC(C)C)CC1 ZINC000551284407 388625693 /nfs/dbraw/zinc/62/56/93/388625693.db2.gz OXOJDJSRRUOKFF-AWEZNQCLSA-N 0 3 247.386 3.128 20 0 BGADHN CC1=CC[C@@H](NCc2nccn2CC(C)C)CC1 ZINC000551284412 388625529 /nfs/dbraw/zinc/62/55/29/388625529.db2.gz OXOJDJSRRUOKFF-CQSZACIVSA-N 0 3 247.386 3.128 20 0 BGADHN COc1ccc2c(c1)[C@@H](N[C@@H]1CCC[C@@H]1F)CC2 ZINC000551302722 388626011 /nfs/dbraw/zinc/62/60/11/388626011.db2.gz XVWDYQFSHQFBLU-SOUVJXGZSA-N 0 3 249.329 3.163 20 0 BGADHN C[C@@H]1Cc2ccccc2[C@@H]1N[C@@H]1CCC[C@@H]1F ZINC000551304108 388625886 /nfs/dbraw/zinc/62/58/86/388625886.db2.gz CJNSHRCCCFBRJB-AQNFWKISSA-N 0 3 233.330 3.400 20 0 BGADHN C[C@H]1Cc2ccccc2[C@@H]1N[C@@H]1CCC[C@@H]1F ZINC000551304109 388625963 /nfs/dbraw/zinc/62/59/63/388625963.db2.gz CJNSHRCCCFBRJB-BSLXNSKLSA-N 0 3 233.330 3.400 20 0 BGADHN C[C@H]1Cc2ccccc2[C@H]1N[C@@H]1CCC[C@@H]1F ZINC000551304219 388625715 /nfs/dbraw/zinc/62/57/15/388625715.db2.gz CJNSHRCCCFBRJB-HPEDKQMDSA-N 0 3 233.330 3.400 20 0 BGADHN C[C@@H]1Cc2ccccc2[C@H]1N[C@@H]1CCC[C@@H]1F ZINC000551304220 388625979 /nfs/dbraw/zinc/62/59/79/388625979.db2.gz CJNSHRCCCFBRJB-KAOXEZKKSA-N 0 3 233.330 3.400 20 0 BGADHN Fc1ccc2c(c1)[C@@H](N[C@@H]1CCC[C@@H]1F)CC2 ZINC000551304675 487848972 /nfs/dbraw/zinc/84/89/72/487848972.db2.gz MEWMMRLOACMWGR-MELADBBJSA-N 0 3 237.293 3.293 20 0 BGADHN C[C@@H](N[C@H]1CCC[C@H]1F)c1ccc2c(c1)COC2 ZINC000551304797 388626004 /nfs/dbraw/zinc/62/60/04/388626004.db2.gz NCOVAZNAZOFXEZ-KMUNFCNLSA-N 0 3 249.329 3.258 20 0 BGADHN CC(C)[C@@H](N[C@@H]1CCC[C@@H]1F)c1cccnc1 ZINC000551306503 388625782 /nfs/dbraw/zinc/62/57/82/388625782.db2.gz MINDZTQRVOVNHU-BFHYXJOUSA-N 0 3 236.334 3.259 20 0 BGADHN C[C@H](Cc1ccccc1F)N[C@@H]1CCC[C@@H]1F ZINC000551307565 388625904 /nfs/dbraw/zinc/62/59/04/388625904.db2.gz RIWXCWKLCVAMIM-DDTOSNHZSA-N 0 3 239.309 3.237 20 0 BGADHN C[C@@H](Cc1ccccc1F)N[C@@H]1CCC[C@@H]1F ZINC000551307566 388626016 /nfs/dbraw/zinc/62/60/16/388626016.db2.gz RIWXCWKLCVAMIM-LEWSCRJBSA-N 0 3 239.309 3.237 20 0 BGADHN Oc1cccc2c1CCC[C@H]2N[C@H]1CCC[C@H]1F ZINC000551307901 325554009 /nfs/dbraw/zinc/55/40/09/325554009.db2.gz FSQXQBFMVJZQFB-MCIONIFRSA-N 0 3 249.329 3.250 20 0 BGADHN COc1ccc([C@@H](C)N[C@H]2CCC[C@H]2F)cc1 ZINC000551308214 325553738 /nfs/dbraw/zinc/55/37/38/325553738.db2.gz WFKYVPAODJEECE-HONMWMINSA-N 0 3 237.318 3.236 20 0 BGADHN Cc1ccc2c(c1)[C@@H](N[C@H]1CCC[C@H]1F)CC2 ZINC000551309541 388625512 /nfs/dbraw/zinc/62/55/12/388625512.db2.gz MNZCWGFRBROINH-ILXRZTDVSA-N 0 3 233.330 3.463 20 0 BGADHN Cc1ccc2c(c1)[C@H](N[C@H]1CCC[C@H]1F)CC2 ZINC000551309548 388625410 /nfs/dbraw/zinc/62/54/10/388625410.db2.gz MNZCWGFRBROINH-KFWWJZLASA-N 0 3 233.330 3.463 20 0 BGADHN C[C@@H](N[C@@H]1CCC[C@@H]1F)c1ccc2c(c1)COC2 ZINC000551309596 388625925 /nfs/dbraw/zinc/62/59/25/388625925.db2.gz NCOVAZNAZOFXEZ-WKPIXPDZSA-N 0 3 249.329 3.258 20 0 BGADHN CC(C)CCCN[C@H](C)c1cn2ccccc2n1 ZINC000551315303 325554501 /nfs/dbraw/zinc/55/45/01/325554501.db2.gz RBGHRRDWQKJSDG-CYBMUJFWSA-N 0 3 245.370 3.421 20 0 BGADHN CC(C)CCCN[C@@H](C)c1cn2ccccc2n1 ZINC000551315313 370699447 /nfs/dbraw/zinc/69/94/47/370699447.db2.gz RBGHRRDWQKJSDG-ZDUSSCGKSA-N 0 3 245.370 3.421 20 0 BGADHN CCN(Cc1ccc(Cl)cn1)C1CCCC1 ZINC000551401833 388629210 /nfs/dbraw/zinc/62/92/10/388629210.db2.gz NRBVWXGPEDUTBF-UHFFFAOYSA-N 0 3 238.762 3.500 20 0 BGADHN CC[C@@H](C)CN(C)Cc1cc(F)ccc1OC ZINC000551524699 388632543 /nfs/dbraw/zinc/63/25/43/388632543.db2.gz NLGNDIXTTWTRPM-LLVKDONJSA-N 0 3 239.334 3.312 20 0 BGADHN CC[C@H](C)CN(C)Cc1cc(F)ccc1OC ZINC000551524700 388631416 /nfs/dbraw/zinc/63/14/16/388631416.db2.gz NLGNDIXTTWTRPM-NSHDSACASA-N 0 3 239.334 3.312 20 0 BGADHN Cc1ccc2c(c1)[C@@H](N[C@@H]1CCC1(C)C)CO2 ZINC000551530811 325559962 /nfs/dbraw/zinc/55/99/62/325559962.db2.gz XJTIUSUZZYXDOV-GXTWGEPZSA-N 0 3 231.339 3.207 20 0 BGADHN Cc1ccc2c(c1)[C@@H](N[C@H]1CCC1(C)C)CO2 ZINC000551530812 325559832 /nfs/dbraw/zinc/55/98/32/325559832.db2.gz XJTIUSUZZYXDOV-JSGCOSHPSA-N 0 3 231.339 3.207 20 0 BGADHN Cc1ccc2c(c1)[C@H](N[C@H]1CCC1(C)C)CO2 ZINC000551530813 388632765 /nfs/dbraw/zinc/63/27/65/388632765.db2.gz XJTIUSUZZYXDOV-OCCSQVGLSA-N 0 3 231.339 3.207 20 0 BGADHN Cc1ccc2c(c1)[C@H](N[C@@H]1CCC1(C)C)CO2 ZINC000551530814 388632872 /nfs/dbraw/zinc/63/28/72/388632872.db2.gz XJTIUSUZZYXDOV-TZMCWYRMSA-N 0 3 231.339 3.207 20 0 BGADHN CCOc1ccccc1CNC1CC(CC)C1 ZINC000551534488 388632621 /nfs/dbraw/zinc/63/26/21/388632621.db2.gz VWHJTBIMGBPDSH-UHFFFAOYSA-N 0 3 233.355 3.364 20 0 BGADHN CC(C)C(CNCc1ncccc1F)C(C)C ZINC000551593743 388634455 /nfs/dbraw/zinc/63/44/55/388634455.db2.gz QNKGEBQDGZGMIP-UHFFFAOYSA-N 0 3 238.350 3.239 20 0 BGADHN CCc1nocc1CN(C)[C@@H](C)C(C)(C)C ZINC000551942004 388648193 /nfs/dbraw/zinc/64/81/93/388648193.db2.gz CAUPWFBPRNCITA-JTQLQIEISA-N 0 3 224.348 3.103 20 0 BGADHN CCc1nocc1CN(C)[C@H](C)C(C)(C)C ZINC000551942005 388648441 /nfs/dbraw/zinc/64/84/41/388648441.db2.gz CAUPWFBPRNCITA-SNVBAGLBSA-N 0 3 224.348 3.103 20 0 BGADHN CC(C)N(CC[C@@H](C)F)Cc1ccccn1 ZINC000551976143 388650004 /nfs/dbraw/zinc/65/00/04/388650004.db2.gz UTJRNTCJMJYSTR-GFCCVEGCSA-N 0 3 224.323 3.040 20 0 BGADHN CC(C)N(CC[C@H](C)F)Cc1ccccn1 ZINC000551976144 388650468 /nfs/dbraw/zinc/65/04/68/388650468.db2.gz UTJRNTCJMJYSTR-LBPRGKRZSA-N 0 3 224.323 3.040 20 0 BGADHN CC(C)(C)OCCNCc1ccc2occc2c1 ZINC000552013425 388657181 /nfs/dbraw/zinc/65/71/81/388657181.db2.gz HQMUZBGLHFHARY-UHFFFAOYSA-N 0 3 247.338 3.338 20 0 BGADHN CCC(CC)N(Cc1conc1C)C1CC1 ZINC000552021415 388660650 /nfs/dbraw/zinc/66/06/50/388660650.db2.gz IGOVOARXCUHKLZ-UHFFFAOYSA-N 0 3 222.332 3.136 20 0 BGADHN Cc1cc2cc(CNCC3(F)CC3)ccc2[nH]1 ZINC000552021799 388660737 /nfs/dbraw/zinc/66/07/37/388660737.db2.gz HBKJAMXMJTVJEW-UHFFFAOYSA-N 0 3 232.302 3.068 20 0 BGADHN CC(C)(C)CN1CCc2cccc(F)c2C1 ZINC000552064331 388666659 /nfs/dbraw/zinc/66/66/59/388666659.db2.gz HSZOEBZQBRJTMP-UHFFFAOYSA-N 0 3 221.319 3.230 20 0 BGADHN CC1(CN2CC(C)(C)[C@H]2c2ccncc2)CC1 ZINC000552065163 388666385 /nfs/dbraw/zinc/66/63/85/388666385.db2.gz IASWPJSWPFNBRK-CYBMUJFWSA-N 0 3 230.355 3.265 20 0 BGADHN CC1(CN2CC(C)(C)[C@@H]2c2ccncc2)CC1 ZINC000552065164 388666006 /nfs/dbraw/zinc/66/60/06/388666006.db2.gz IASWPJSWPFNBRK-ZDUSSCGKSA-N 0 3 230.355 3.265 20 0 BGADHN COc1cnccc1[C@H](C)N[C@H]1CC[C@H]1C(C)C ZINC000552066273 325593565 /nfs/dbraw/zinc/59/35/65/325593565.db2.gz CRFDHVNZIWQAFY-OBJOEFQTSA-N 0 3 248.370 3.175 20 0 BGADHN COc1cnccc1[C@H](C)N[C@@H]1CC[C@@H]1C(C)C ZINC000552066274 388666708 /nfs/dbraw/zinc/66/67/08/388666708.db2.gz CRFDHVNZIWQAFY-OUCADQQQSA-N 0 3 248.370 3.175 20 0 BGADHN COc1cnccc1[C@H](C)N[C@H]1CC[C@@H]1C(C)C ZINC000552066275 325593660 /nfs/dbraw/zinc/59/36/60/325593660.db2.gz CRFDHVNZIWQAFY-SCRDCRAPSA-N 0 3 248.370 3.175 20 0 BGADHN COc1cnccc1[C@H](C)N[C@@H]1CC[C@H]1C(C)C ZINC000552066276 388666441 /nfs/dbraw/zinc/66/64/41/388666441.db2.gz CRFDHVNZIWQAFY-SGMGOOAPSA-N 0 3 248.370 3.175 20 0 BGADHN CC[C@H]1CC[C@H](NCc2cccc(OC)n2)CC1 ZINC000552071946 325594075 /nfs/dbraw/zinc/59/40/75/325594075.db2.gz LARRSOWJOBCWRW-JOCQHMNTSA-N 0 3 248.370 3.149 20 0 BGADHN CC[C@H]1CC[C@H](NCc2c(C)noc2C)CC1 ZINC000552072674 388667255 /nfs/dbraw/zinc/66/72/55/388667255.db2.gz WLQWMSAQEMZLOW-JOCQHMNTSA-N 0 3 236.359 3.350 20 0 BGADHN CCCC(CCC)N[C@H](c1nccn1C)C1CC1 ZINC000552089410 388668471 /nfs/dbraw/zinc/66/84/71/388668471.db2.gz JQOCQTWZCPWKBI-AWEZNQCLSA-N 0 3 249.402 3.430 20 0 BGADHN CCCC(CCC)N[C@@H](c1nccn1C)C1CC1 ZINC000552089411 388668718 /nfs/dbraw/zinc/66/87/18/388668718.db2.gz JQOCQTWZCPWKBI-CQSZACIVSA-N 0 3 249.402 3.430 20 0 BGADHN C/C(=C\c1ccccc1)CN(C)CCOC(C)C ZINC000552092349 388667982 /nfs/dbraw/zinc/66/79/82/388667982.db2.gz PVYZKRKVEIBARK-NTCAYCPXSA-N 0 3 247.382 3.447 20 0 BGADHN C/C(=C/c1ccccc1)CN(C)CCOC(C)C ZINC000552092350 388668156 /nfs/dbraw/zinc/66/81/56/388668156.db2.gz PVYZKRKVEIBARK-QINSGFPZSA-N 0 3 247.382 3.447 20 0 BGADHN C[C@@H](Cc1ccsc1)N1CCC[C@@H]1CF ZINC000552129406 388672127 /nfs/dbraw/zinc/67/21/27/388672127.db2.gz PVSOCSUJFIQVKV-CMPLNLGQSA-N 0 3 227.348 3.113 20 0 BGADHN C[C@@H](Cc1ccsc1)N1CCC[C@H]1CF ZINC000552129407 388671655 /nfs/dbraw/zinc/67/16/55/388671655.db2.gz PVSOCSUJFIQVKV-JQWIXIFHSA-N 0 3 227.348 3.113 20 0 BGADHN C[C@H](Cc1ccsc1)N1CCC[C@H]1CF ZINC000552129408 388672303 /nfs/dbraw/zinc/67/23/03/388672303.db2.gz PVSOCSUJFIQVKV-PWSUYJOCSA-N 0 3 227.348 3.113 20 0 BGADHN C[C@H](Cc1ccsc1)N1CCC[C@@H]1CF ZINC000552129409 388672169 /nfs/dbraw/zinc/67/21/69/388672169.db2.gz PVSOCSUJFIQVKV-ZYHUDNBSSA-N 0 3 227.348 3.113 20 0 BGADHN C[C@H](CN1CCC[C@@H]1CF)c1ccc(F)cc1 ZINC000552129965 388671452 /nfs/dbraw/zinc/67/14/52/388671452.db2.gz UNNOWTINFSMAFW-BXUZGUMPSA-N 0 3 239.309 3.363 20 0 BGADHN C[C@@H](CN1CCC[C@H]1CF)c1ccc(F)cc1 ZINC000552129966 388672293 /nfs/dbraw/zinc/67/22/93/388672293.db2.gz UNNOWTINFSMAFW-FZMZJTMJSA-N 0 3 239.309 3.363 20 0 BGADHN C[C@H](CN1CCC[C@H]1CF)c1ccc(F)cc1 ZINC000552129967 388671719 /nfs/dbraw/zinc/67/17/19/388671719.db2.gz UNNOWTINFSMAFW-RISCZKNCSA-N 0 3 239.309 3.363 20 0 BGADHN C[C@@H](CN1CCC[C@@H]1CF)c1ccc(F)cc1 ZINC000552129968 388671812 /nfs/dbraw/zinc/67/18/12/388671812.db2.gz UNNOWTINFSMAFW-SMDDNHRTSA-N 0 3 239.309 3.363 20 0 BGADHN CC(C)(C)[C@@H]1C[C@H](N[C@H]2CCC[C@H]2F)CS1 ZINC000552146522 388674318 /nfs/dbraw/zinc/67/43/18/388674318.db2.gz MDCAGQPZJNYRMN-USZNOCQGSA-N 0 3 245.407 3.387 20 0 BGADHN CC(C)(C)[C@H]1C[C@H](N[C@H]2CCC[C@H]2F)CS1 ZINC000552146523 388674631 /nfs/dbraw/zinc/67/46/31/388674631.db2.gz MDCAGQPZJNYRMN-WHOHXGKFSA-N 0 3 245.407 3.387 20 0 BGADHN CC(C)(C)[C@H]1C[C@@H](N[C@H]2CCC[C@H]2F)CS1 ZINC000552146524 325600474 /nfs/dbraw/zinc/60/04/74/325600474.db2.gz MDCAGQPZJNYRMN-WISYIIOYSA-N 0 3 245.407 3.387 20 0 BGADHN CC(C)(C)[C@@H]1C[C@@H](N[C@H]2CCC[C@H]2F)CS1 ZINC000552146525 388674215 /nfs/dbraw/zinc/67/42/15/388674215.db2.gz MDCAGQPZJNYRMN-WYUUTHIRSA-N 0 3 245.407 3.387 20 0 BGADHN C(C1CCCCC1)N1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000552147359 388673779 /nfs/dbraw/zinc/67/37/79/388673779.db2.gz ZFEUJRMCCOVPBG-CVEARBPZSA-N 0 3 249.398 3.210 20 0 BGADHN C(C1CCCCC1)N1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000552147360 388672717 /nfs/dbraw/zinc/67/27/17/388672717.db2.gz ZFEUJRMCCOVPBG-HOTGVXAUSA-N 0 3 249.398 3.210 20 0 BGADHN C(C1CCCCC1)N1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000552147361 388673134 /nfs/dbraw/zinc/67/31/34/388673134.db2.gz ZFEUJRMCCOVPBG-HZPDHXFCSA-N 0 3 249.398 3.210 20 0 BGADHN C(C1CCCCC1)N1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000552147362 388673302 /nfs/dbraw/zinc/67/33/02/388673302.db2.gz ZFEUJRMCCOVPBG-JKSUJKDBSA-N 0 3 249.398 3.210 20 0 BGADHN CCC[C@H](C)CN1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000552148003 388674221 /nfs/dbraw/zinc/67/42/21/388674221.db2.gz LMVRDZUKLYTWHC-AEGPPILISA-N 0 3 237.387 3.066 20 0 BGADHN CCC[C@H](C)CN1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000552148004 388674260 /nfs/dbraw/zinc/67/42/60/388674260.db2.gz LMVRDZUKLYTWHC-CFVMTHIKSA-N 0 3 237.387 3.066 20 0 BGADHN CCC[C@H](C)CN1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000552148005 388673896 /nfs/dbraw/zinc/67/38/96/388673896.db2.gz LMVRDZUKLYTWHC-NWANDNLSSA-N 0 3 237.387 3.066 20 0 BGADHN CCC[C@H](C)CN1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000552148006 388674545 /nfs/dbraw/zinc/67/45/45/388674545.db2.gz LMVRDZUKLYTWHC-QEJZJMRPSA-N 0 3 237.387 3.066 20 0 BGADHN CC(C)[C@@H]1CCN(Cc2nc3ccccc3[nH]2)C1 ZINC000552185758 388677249 /nfs/dbraw/zinc/67/72/49/388677249.db2.gz APDVYHSCBDJTLL-GFCCVEGCSA-N 0 3 243.354 3.041 20 0 BGADHN CC(C)[C@H]1CCN(Cc2nc3ccccc3[nH]2)C1 ZINC000552185759 388677198 /nfs/dbraw/zinc/67/71/98/388677198.db2.gz APDVYHSCBDJTLL-LBPRGKRZSA-N 0 3 243.354 3.041 20 0 BGADHN c1ccc(OCC2CC2)c(CN2CCCCC2)c1 ZINC000552203351 325608831 /nfs/dbraw/zinc/60/88/31/325608831.db2.gz JKMOTXSYGCLMBW-UHFFFAOYSA-N 0 3 245.366 3.461 20 0 BGADHN CCCN(CCC)Cc1cc(F)ccc1OC ZINC000552214409 388682238 /nfs/dbraw/zinc/68/22/38/388682238.db2.gz NGXAHYZGXDELDL-UHFFFAOYSA-N 0 3 239.334 3.456 20 0 BGADHN CCCCN(CC)Cc1cc(F)ccc1OC ZINC000552227423 388683582 /nfs/dbraw/zinc/68/35/82/388683582.db2.gz CKFXJVQPJNAMQR-UHFFFAOYSA-N 0 3 239.334 3.456 20 0 BGADHN CC(C)C[C@@H](C)N(C)CCC(F)(F)F ZINC000552229296 388681576 /nfs/dbraw/zinc/68/15/76/388681576.db2.gz YZWWEADMVOHZGS-SECBINFHSA-N 0 3 211.271 3.305 20 0 BGADHN CC(C)C[C@H](C)N(C)CCC(F)(F)F ZINC000552229297 388680858 /nfs/dbraw/zinc/68/08/58/388680858.db2.gz YZWWEADMVOHZGS-VIFPVBQESA-N 0 3 211.271 3.305 20 0 BGADHN CCO[C@@H]1C[C@@H]1N[C@H](CC)c1cccc(C)c1 ZINC000552262222 325615420 /nfs/dbraw/zinc/61/54/20/325615420.db2.gz LXHXZHZQZCSCKP-QLFBSQMISA-N 0 3 233.355 3.213 20 0 BGADHN CCO[C@@H]1C[C@H]1N[C@H](CC)c1cccc(C)c1 ZINC000552262223 388687050 /nfs/dbraw/zinc/68/70/50/388687050.db2.gz LXHXZHZQZCSCKP-RBSFLKMASA-N 0 3 233.355 3.213 20 0 BGADHN CCO[C@@H]1C[C@H]1N[C@@H](CC)c1cccc(C)c1 ZINC000552262224 325615457 /nfs/dbraw/zinc/61/54/57/325615457.db2.gz LXHXZHZQZCSCKP-RRFJBIMHSA-N 0 3 233.355 3.213 20 0 BGADHN CCO[C@@H]1C[C@@H]1N[C@@H](CC)c1cccc(C)c1 ZINC000552262225 325615339 /nfs/dbraw/zinc/61/53/39/325615339.db2.gz LXHXZHZQZCSCKP-SOUVJXGZSA-N 0 3 233.355 3.213 20 0 BGADHN CCc1ccc(CN2CCC2(C)C)s1 ZINC000552279483 388689268 /nfs/dbraw/zinc/68/92/68/388689268.db2.gz MNPHGPBKOAICHR-UHFFFAOYSA-N 0 3 209.358 3.295 20 0 BGADHN CC(C)OCCCN(C)C/C=C\c1ccccc1 ZINC000552290278 388689398 /nfs/dbraw/zinc/68/93/98/388689398.db2.gz DZVYAJISZDBIMF-XFFZJAGNSA-N 0 3 247.382 3.447 20 0 BGADHN CC(C)OCCCN(C)C/C=C/c1ccccc1 ZINC000552290279 388689698 /nfs/dbraw/zinc/68/96/98/388689698.db2.gz DZVYAJISZDBIMF-YRNVUSSQSA-N 0 3 247.382 3.447 20 0 BGADHN CC[C@H]1CC[C@H]([NH2+]Cc2nc(C)ccc2[O-])CC1 ZINC000552292708 388690443 /nfs/dbraw/zinc/69/04/43/388690443.db2.gz BTDCCEPSHOKWIK-JOCQHMNTSA-N 0 3 248.370 3.154 20 0 BGADHN Cc1ccoc1CN1CC(C)(C)[C@H]1C(C)C ZINC000552293157 388691120 /nfs/dbraw/zinc/69/11/20/388691120.db2.gz TVBAFNCKHKWKLP-CYBMUJFWSA-N 0 3 221.344 3.454 20 0 BGADHN Cc1ccoc1CN1CC(C)(C)[C@@H]1C(C)C ZINC000552293158 388690541 /nfs/dbraw/zinc/69/05/41/388690541.db2.gz TVBAFNCKHKWKLP-ZDUSSCGKSA-N 0 3 221.344 3.454 20 0 BGADHN CCCC[C@H](CC)N[C@H](c1nccn1C)C1CC1 ZINC000552320040 388692901 /nfs/dbraw/zinc/69/29/01/388692901.db2.gz XQBDKAGIGBUCEO-KBPBESRZSA-N 0 3 249.402 3.430 20 0 BGADHN CCCC[C@@H](CC)N[C@H](c1nccn1C)C1CC1 ZINC000552320041 388693481 /nfs/dbraw/zinc/69/34/81/388693481.db2.gz XQBDKAGIGBUCEO-KGLIPLIRSA-N 0 3 249.402 3.430 20 0 BGADHN CCCC[C@H](CC)N[C@@H](c1nccn1C)C1CC1 ZINC000552320042 388692827 /nfs/dbraw/zinc/69/28/27/388692827.db2.gz XQBDKAGIGBUCEO-UONOGXRCSA-N 0 3 249.402 3.430 20 0 BGADHN CCCC[C@@H](CC)N[C@@H](c1nccn1C)C1CC1 ZINC000552320043 325620538 /nfs/dbraw/zinc/62/05/38/325620538.db2.gz XQBDKAGIGBUCEO-ZIAGYGMSSA-N 0 3 249.402 3.430 20 0 BGADHN C[C@@H]1CN(CCC2CCCCCC2)CCO1 ZINC000552373062 388698250 /nfs/dbraw/zinc/69/82/50/388698250.db2.gz FIGOHLZCRXQALK-CYBMUJFWSA-N 0 3 225.376 3.068 20 0 BGADHN CC(C)[C@@H](CN1CCO[C@H](C)C1)c1ccccc1 ZINC000552379575 388700198 /nfs/dbraw/zinc/70/01/98/388700198.db2.gz KPMOFXPQBWJYCS-GDBMZVCRSA-N 0 3 247.382 3.147 20 0 BGADHN CC(C)[C@H](CN1CCO[C@H](C)C1)c1ccccc1 ZINC000552379578 388700192 /nfs/dbraw/zinc/70/01/92/388700192.db2.gz KPMOFXPQBWJYCS-ZBFHGGJFSA-N 0 3 247.382 3.147 20 0 BGADHN C[C@@H](Cc1ccccc1)CN1CCC[C@@H]1CF ZINC000552392334 388701803 /nfs/dbraw/zinc/70/18/03/388701803.db2.gz OSVDNGGAIBBMOV-DZGCQCFKSA-N 0 3 235.346 3.299 20 0 BGADHN C[C@H](Cc1ccccc1)CN1CCC[C@H]1CF ZINC000552392335 388702414 /nfs/dbraw/zinc/70/24/14/388702414.db2.gz OSVDNGGAIBBMOV-HIFRSBDPSA-N 0 3 235.346 3.299 20 0 BGADHN C[C@H](Cc1ccccc1)CN1CCC[C@@H]1CF ZINC000552392336 388702534 /nfs/dbraw/zinc/70/25/34/388702534.db2.gz OSVDNGGAIBBMOV-UKRRQHHQSA-N 0 3 235.346 3.299 20 0 BGADHN C[C@@H](Cc1ccccc1)CN1CCC[C@H]1CF ZINC000552392337 388701570 /nfs/dbraw/zinc/70/15/70/388701570.db2.gz OSVDNGGAIBBMOV-ZFWWWQNUSA-N 0 3 235.346 3.299 20 0 BGADHN CCC(CC)CN1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000552425191 388707477 /nfs/dbraw/zinc/70/74/77/388707477.db2.gz IRBCOYXTLSRNLP-CABCVRRESA-N 0 3 237.387 3.066 20 0 BGADHN CCC(CC)CN1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000552425192 388706954 /nfs/dbraw/zinc/70/69/54/388706954.db2.gz IRBCOYXTLSRNLP-GJZGRUSLSA-N 0 3 237.387 3.066 20 0 BGADHN CCC(CC)CN1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000552425193 388707222 /nfs/dbraw/zinc/70/72/22/388707222.db2.gz IRBCOYXTLSRNLP-HUUCEWRRSA-N 0 3 237.387 3.066 20 0 BGADHN CCC(CC)CN1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000552425194 388706506 /nfs/dbraw/zinc/70/65/06/388706506.db2.gz IRBCOYXTLSRNLP-LSDHHAIUSA-N 0 3 237.387 3.066 20 0 BGADHN CC(C)c1ccc(CCNCc2ccno2)cc1 ZINC000552431558 325636092 /nfs/dbraw/zinc/63/60/92/325636092.db2.gz QRNAQJQFWNQZSL-UHFFFAOYSA-N 0 3 244.338 3.130 20 0 BGADHN Cc1cnc(CN(CC2CC2)C(C)C)s1 ZINC000552467146 388711847 /nfs/dbraw/zinc/71/18/47/388711847.db2.gz ATGQKYFCUNUXQA-UHFFFAOYSA-N 0 3 224.373 3.072 20 0 BGADHN COc1ccc(F)cc1[C@H](C)NC[C@@H]1C[C@@H]1C ZINC000552879890 325668643 /nfs/dbraw/zinc/66/86/43/325668643.db2.gz JONGBOXAUNUKHB-DCAQKATOSA-N 0 3 237.318 3.141 20 0 BGADHN COc1ccc(F)cc1[C@H](C)NC[C@H]1C[C@@H]1C ZINC000552879891 325668672 /nfs/dbraw/zinc/66/86/72/325668672.db2.gz JONGBOXAUNUKHB-GARJFASQSA-N 0 3 237.318 3.141 20 0 BGADHN COc1ccc(F)cc1[C@H](C)NC[C@H]1C[C@H]1C ZINC000552879892 388739510 /nfs/dbraw/zinc/73/95/10/388739510.db2.gz JONGBOXAUNUKHB-OUAUKWLOSA-N 0 3 237.318 3.141 20 0 BGADHN COc1ccc(F)cc1[C@H](C)NC[C@@H]1C[C@H]1C ZINC000552879893 388739228 /nfs/dbraw/zinc/73/92/28/388739228.db2.gz JONGBOXAUNUKHB-VWYCJHECSA-N 0 3 237.318 3.141 20 0 BGADHN CC(C)OCCN1CCc2ccccc2C1(C)C ZINC000553007370 388744915 /nfs/dbraw/zinc/74/49/15/388744915.db2.gz SEZQQWBPYLGCHR-UHFFFAOYSA-N 0 3 247.382 3.205 20 0 BGADHN CCC[C@@H](C)N(C)Cc1cc(F)ccc1OC ZINC000553175568 388751343 /nfs/dbraw/zinc/75/13/43/388751343.db2.gz QRISENNGBIARCV-LLVKDONJSA-N 0 3 239.334 3.455 20 0 BGADHN CCC[C@H](C)N(C)Cc1cc(F)ccc1OC ZINC000553175569 388751836 /nfs/dbraw/zinc/75/18/36/388751836.db2.gz QRISENNGBIARCV-NSHDSACASA-N 0 3 239.334 3.455 20 0 BGADHN CC(C)=CCN(C)CCN(C)c1ccccc1 ZINC000553219925 388753756 /nfs/dbraw/zinc/75/37/56/388753756.db2.gz TVQXQQIGSYLSOL-UHFFFAOYSA-N 0 3 232.371 3.021 20 0 BGADHN COC1(C)CCN(C/C=C\c2ccccc2)CC1 ZINC000553385128 325688466 /nfs/dbraw/zinc/68/84/66/325688466.db2.gz KFDUPQZVVUXXBW-TWGQIWQCSA-N 0 3 245.366 3.201 20 0 BGADHN CCC[C@@H](C)CNCc1cn2cc(C)ccc2n1 ZINC000553758423 325699063 /nfs/dbraw/zinc/69/90/63/325699063.db2.gz IJBNQKLZWHRKPK-GFCCVEGCSA-N 0 3 245.370 3.169 20 0 BGADHN CCC[C@H](C)CNCc1cn2cc(C)ccc2n1 ZINC000553758426 388789992 /nfs/dbraw/zinc/78/99/92/388789992.db2.gz IJBNQKLZWHRKPK-LBPRGKRZSA-N 0 3 245.370 3.169 20 0 BGADHN COc1cccc(CN[C@H](C)CCC=C(C)C)n1 ZINC000553766581 325699310 /nfs/dbraw/zinc/69/93/10/325699310.db2.gz FZIGMSKMHRLHAZ-CYBMUJFWSA-N 0 3 248.370 3.315 20 0 BGADHN COc1cccc(CN[C@@H](C)CCC=C(C)C)n1 ZINC000553766582 388789543 /nfs/dbraw/zinc/78/95/43/388789543.db2.gz FZIGMSKMHRLHAZ-ZDUSSCGKSA-N 0 3 248.370 3.315 20 0 BGADHN CC(C)C(C)(C)NCc1nc2ccccc2n1C ZINC000553771905 388789914 /nfs/dbraw/zinc/78/99/14/388789914.db2.gz RAUABNVYTUQUOX-UHFFFAOYSA-N 0 3 245.370 3.098 20 0 BGADHN CCN(CCOC1CCC1)Cc1ccc(C)cc1 ZINC000553864013 388793338 /nfs/dbraw/zinc/79/33/38/388793338.db2.gz NFVLFYSLLVIAFF-UHFFFAOYSA-N 0 3 247.382 3.386 20 0 BGADHN CCC(CC)N(Cc1cnccc1OC)C1CC1 ZINC000553865525 388792793 /nfs/dbraw/zinc/79/27/93/388792793.db2.gz PHJROAHRVYXILS-UHFFFAOYSA-N 0 3 248.370 3.243 20 0 BGADHN CCC1CC(N[C@@H]2c3ccc(F)cc3O[C@@H]2C)C1 ZINC000554088719 325706002 /nfs/dbraw/zinc/70/60/02/325706002.db2.gz MPWMEEGAAWGWPV-BGVWEHGWSA-N 0 3 249.329 3.426 20 0 BGADHN CCC1CC(N[C@H]2c3ccc(F)cc3O[C@@H]2C)C1 ZINC000554088720 388799895 /nfs/dbraw/zinc/79/98/95/388799895.db2.gz MPWMEEGAAWGWPV-IZUUHQQESA-N 0 3 249.329 3.426 20 0 BGADHN CCC1CC(N[C@@H]2c3ccc(F)cc3O[C@H]2C)C1 ZINC000554088721 388799729 /nfs/dbraw/zinc/79/97/29/388799729.db2.gz MPWMEEGAAWGWPV-QWGGPLKVSA-N 0 3 249.329 3.426 20 0 BGADHN CCC1CC(N[C@H]2c3ccc(F)cc3O[C@H]2C)C1 ZINC000554088723 388799879 /nfs/dbraw/zinc/79/98/79/388799879.db2.gz MPWMEEGAAWGWPV-RQIBQTMTSA-N 0 3 249.329 3.426 20 0 BGADHN Fc1ccc2c(c1)CC[C@H]2N[C@H]1C[C@@H]1C(F)F ZINC000554089209 388800222 /nfs/dbraw/zinc/80/02/22/388800222.db2.gz BBEARLJGQJTBOM-TUAOUCFPSA-N 0 3 241.256 3.056 20 0 BGADHN CCC[C@H](C)N[C@@H]1c2ccc(F)cc2O[C@H]1C ZINC000554090200 388799825 /nfs/dbraw/zinc/79/98/25/388799825.db2.gz NGFRFLWKOOKDLF-BHDSKKPTSA-N 0 3 237.318 3.426 20 0 BGADHN CCC[C@H](C)N[C@H]1c2ccc(F)cc2O[C@@H]1C ZINC000554090201 325705783 /nfs/dbraw/zinc/70/57/83/325705783.db2.gz NGFRFLWKOOKDLF-IMSIIYSGSA-N 0 3 237.318 3.426 20 0 BGADHN CCC[C@H](C)N[C@H]1c2ccc(F)cc2O[C@H]1C ZINC000554090202 388800169 /nfs/dbraw/zinc/80/01/69/388800169.db2.gz NGFRFLWKOOKDLF-PKFCDNJMSA-N 0 3 237.318 3.426 20 0 BGADHN CCC[C@H](C)N[C@@H]1c2ccc(F)cc2O[C@@H]1C ZINC000554090203 388798970 /nfs/dbraw/zinc/79/89/70/388798970.db2.gz NGFRFLWKOOKDLF-RBZYPMLTSA-N 0 3 237.318 3.426 20 0 BGADHN FC(F)[C@H]1C[C@@H]1N[C@H]1CCCc2ccccc21 ZINC000554091332 388800203 /nfs/dbraw/zinc/80/02/03/388800203.db2.gz FVZVMSJAVSOWAO-AVGNSLFASA-N 0 3 237.293 3.307 20 0 BGADHN FC(F)[C@H]1C[C@@H]1N[C@@H]1CCCc2ccccc21 ZINC000554091333 325705961 /nfs/dbraw/zinc/70/59/61/325705961.db2.gz FVZVMSJAVSOWAO-XQQFMLRXSA-N 0 3 237.293 3.307 20 0 BGADHN Fc1ccc2c(c1)[C@@H](N[C@H]1C[C@@H]1C(F)F)CC2 ZINC000554091709 537912260 /nfs/dbraw/zinc/91/22/60/537912260.db2.gz JCBOUKNBPWFXOV-SRVKXCTJSA-N 0 3 241.256 3.056 20 0 BGADHN C[C@H](N(C)Cc1cncc(F)c1)C(C)(C)C ZINC000554210783 388802849 /nfs/dbraw/zinc/80/28/49/388802849.db2.gz GQIDSRJCLOMYDW-JTQLQIEISA-N 0 3 224.323 3.087 20 0 BGADHN C[C@@H](N(C)Cc1cncc(F)c1)C(C)(C)C ZINC000554210784 388803366 /nfs/dbraw/zinc/80/33/66/388803366.db2.gz GQIDSRJCLOMYDW-SNVBAGLBSA-N 0 3 224.323 3.087 20 0 BGADHN CC[C@H](C)CN(C)Cc1ccc(Cl)cn1 ZINC000554312247 388809498 /nfs/dbraw/zinc/80/94/98/388809498.db2.gz IULBTCLPVZDGSS-JTQLQIEISA-N 0 3 226.751 3.213 20 0 BGADHN CC[C@@H](C)CN(C)Cc1ccc(Cl)cn1 ZINC000554312248 388809113 /nfs/dbraw/zinc/80/91/13/388809113.db2.gz IULBTCLPVZDGSS-SNVBAGLBSA-N 0 3 226.751 3.213 20 0 BGADHN CN(Cc1ccc(Cl)cn1)CC(C)(C)C ZINC000554316280 388808609 /nfs/dbraw/zinc/80/86/09/388808609.db2.gz FFAMGFHXZBVVNI-UHFFFAOYSA-N 0 3 226.751 3.213 20 0 BGADHN CCN(Cc1ccc(Cl)cn1)CC(C)C ZINC000554316382 388808547 /nfs/dbraw/zinc/80/85/47/388808547.db2.gz OUBYAUFSZHQCQJ-UHFFFAOYSA-N 0 3 226.751 3.213 20 0 BGADHN CCN(Cc1ccc(Cl)cn1)C1CCC1 ZINC000554317668 388809298 /nfs/dbraw/zinc/80/92/98/388809298.db2.gz FIYSLAHJWRGDHF-UHFFFAOYSA-N 0 3 224.735 3.109 20 0 BGADHN CCCN(CCC)Cc1ccc(Cl)cn1 ZINC000554317683 388809509 /nfs/dbraw/zinc/80/95/09/388809509.db2.gz FZCYHYUAGFGGMU-UHFFFAOYSA-N 0 3 226.751 3.357 20 0 BGADHN CCC[C@H](C)N(C)Cc1ccc(Cl)cn1 ZINC000554318271 388808807 /nfs/dbraw/zinc/80/88/07/388808807.db2.gz VDSZHORKUNRQNL-JTQLQIEISA-N 0 3 226.751 3.355 20 0 BGADHN CCC[C@@H](C)N(C)Cc1ccc(Cl)cn1 ZINC000554318273 388809414 /nfs/dbraw/zinc/80/94/14/388809414.db2.gz VDSZHORKUNRQNL-SNVBAGLBSA-N 0 3 226.751 3.355 20 0 BGADHN Cc1cccc(CN[C@H]2CC[C@@H]2C(C)(C)C)n1 ZINC000554349383 388810416 /nfs/dbraw/zinc/81/04/16/388810416.db2.gz KTYJBKWTDICVTA-KBPBESRZSA-N 0 3 232.371 3.304 20 0 BGADHN Cc1cccc(CN[C@H]2CC[C@H]2C(C)(C)C)n1 ZINC000554349384 388810136 /nfs/dbraw/zinc/81/01/36/388810136.db2.gz KTYJBKWTDICVTA-KGLIPLIRSA-N 0 3 232.371 3.304 20 0 BGADHN Cc1cccc(CN[C@@H]2CC[C@@H]2C(C)(C)C)n1 ZINC000554349385 325715567 /nfs/dbraw/zinc/71/55/67/325715567.db2.gz KTYJBKWTDICVTA-UONOGXRCSA-N 0 3 232.371 3.304 20 0 BGADHN Cc1cccc(CN[C@@H]2CC[C@H]2C(C)(C)C)n1 ZINC000554349386 325715507 /nfs/dbraw/zinc/71/55/07/325715507.db2.gz KTYJBKWTDICVTA-ZIAGYGMSSA-N 0 3 232.371 3.304 20 0 BGADHN CCc1cc(CN[C@@H]2CC[C@H]2C(C)(C)C)on1 ZINC000554362720 388811769 /nfs/dbraw/zinc/81/17/69/388811769.db2.gz YQXBUGCRYWYNPY-CHWSQXEVSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1cc(CN[C@H]2CC[C@H]2C(C)(C)C)on1 ZINC000554362721 388812359 /nfs/dbraw/zinc/81/23/59/388812359.db2.gz YQXBUGCRYWYNPY-OLZOCXBDSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1cc(CN[C@@H]2CC[C@@H]2C(C)(C)C)on1 ZINC000554362722 388812383 /nfs/dbraw/zinc/81/23/83/388812383.db2.gz YQXBUGCRYWYNPY-QWHCGFSZSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1cc(CN[C@H]2CC[C@@H]2C(C)(C)C)on1 ZINC000554362723 388812162 /nfs/dbraw/zinc/81/21/62/388812162.db2.gz YQXBUGCRYWYNPY-STQMWFEESA-N 0 3 236.359 3.151 20 0 BGADHN C[C@H](CC1CC1)N[C@@H]1c2ccc(F)cc2O[C@@H]1C ZINC000554372732 325716571 /nfs/dbraw/zinc/71/65/71/325716571.db2.gz TXPZTNDWVMXGON-FCHSOHFDSA-N 0 3 249.329 3.426 20 0 BGADHN C[C@H](CC1CC1)N[C@@H]1c2ccc(F)cc2O[C@H]1C ZINC000554372733 388812494 /nfs/dbraw/zinc/81/24/94/388812494.db2.gz TXPZTNDWVMXGON-FTGAXOIBSA-N 0 3 249.329 3.426 20 0 BGADHN C[C@H](CC1CC1)N[C@H]1c2ccc(F)cc2O[C@H]1C ZINC000554372734 388812482 /nfs/dbraw/zinc/81/24/82/388812482.db2.gz TXPZTNDWVMXGON-HFBDOXOYSA-N 0 3 249.329 3.426 20 0 BGADHN C[C@H](CC1CC1)N[C@H]1c2ccc(F)cc2O[C@@H]1C ZINC000554372735 325716511 /nfs/dbraw/zinc/71/65/11/325716511.db2.gz TXPZTNDWVMXGON-IQMDTDKHSA-N 0 3 249.329 3.426 20 0 BGADHN CN(C)Cc1cccc(N[C@H]2CC[C@@H]2C2CC2)c1 ZINC000554374427 388812067 /nfs/dbraw/zinc/81/20/67/388812067.db2.gz SIYPRGUEKYNHBK-CVEARBPZSA-N 0 3 244.382 3.349 20 0 BGADHN CN(C)Cc1cccc(N[C@H]2CC[C@H]2C2CC2)c1 ZINC000554374429 388811872 /nfs/dbraw/zinc/81/18/72/388811872.db2.gz SIYPRGUEKYNHBK-HOTGVXAUSA-N 0 3 244.382 3.349 20 0 BGADHN CN(C)Cc1cccc(N[C@@H]2CC[C@@H]2C2CC2)c1 ZINC000554374431 388812232 /nfs/dbraw/zinc/81/22/32/388812232.db2.gz SIYPRGUEKYNHBK-HZPDHXFCSA-N 0 3 244.382 3.349 20 0 BGADHN CN(C)Cc1cccc(N[C@@H]2CC[C@H]2C2CC2)c1 ZINC000554374432 325716962 /nfs/dbraw/zinc/71/69/62/325716962.db2.gz SIYPRGUEKYNHBK-JKSUJKDBSA-N 0 3 244.382 3.349 20 0 BGADHN C[C@@H]1Oc2cc(F)ccc2[C@@H]1NC1CC(C)(C)C1 ZINC000554374495 388812435 /nfs/dbraw/zinc/81/24/35/388812435.db2.gz WOSQGBOZTAKTHN-LKFCYVNXSA-N 0 3 249.329 3.426 20 0 BGADHN C[C@H]1Oc2cc(F)ccc2[C@H]1NC1CC(C)(C)C1 ZINC000554374496 325717096 /nfs/dbraw/zinc/71/70/96/325717096.db2.gz WOSQGBOZTAKTHN-OTYXRUKQSA-N 0 3 249.329 3.426 20 0 BGADHN C[C@@H]1Oc2cc(F)ccc2[C@H]1NC1CC(C)(C)C1 ZINC000554374497 388811979 /nfs/dbraw/zinc/81/19/79/388811979.db2.gz WOSQGBOZTAKTHN-XPTSAGLGSA-N 0 3 249.329 3.426 20 0 BGADHN C[C@H]1Oc2cc(F)ccc2[C@@H]1NC1CC(C)(C)C1 ZINC000554374498 388812342 /nfs/dbraw/zinc/81/23/42/388812342.db2.gz WOSQGBOZTAKTHN-YMTOWFKASA-N 0 3 249.329 3.426 20 0 BGADHN CC(C)(C)[C@H]1CC[C@H]1NCc1ncccc1F ZINC000554374992 388812390 /nfs/dbraw/zinc/81/23/90/388812390.db2.gz DUCWAILXKIPYBR-CMPLNLGQSA-N 0 3 236.334 3.135 20 0 BGADHN CC(C)(C)[C@H]1CC[C@@H]1NCc1ncccc1F ZINC000554374993 388812256 /nfs/dbraw/zinc/81/22/56/388812256.db2.gz DUCWAILXKIPYBR-JQWIXIFHSA-N 0 3 236.334 3.135 20 0 BGADHN CC(C)(C)[C@@H]1CC[C@@H]1NCc1ncccc1F ZINC000554374994 388811754 /nfs/dbraw/zinc/81/17/54/388811754.db2.gz DUCWAILXKIPYBR-PWSUYJOCSA-N 0 3 236.334 3.135 20 0 BGADHN CC(C)(C)[C@@H]1CC[C@H]1NCc1ncccc1F ZINC000554374995 325716924 /nfs/dbraw/zinc/71/69/24/325716924.db2.gz DUCWAILXKIPYBR-ZYHUDNBSSA-N 0 3 236.334 3.135 20 0 BGADHN CC(C)CN(Cc1ccc(Cl)cn1)C1CC1 ZINC000554497004 388817511 /nfs/dbraw/zinc/81/75/11/388817511.db2.gz QWPCDJUXIUIMKM-UHFFFAOYSA-N 0 3 238.762 3.355 20 0 BGADHN CCCN(Cc1ccc(Cl)cn1)C1CC1 ZINC000554497312 388816775 /nfs/dbraw/zinc/81/67/75/388816775.db2.gz NCQQWXYQZZVZFO-UHFFFAOYSA-N 0 3 224.735 3.109 20 0 BGADHN CC[C@H]1CC[C@H](C)N1Cc1ccc(Cl)cn1 ZINC000554501287 388816899 /nfs/dbraw/zinc/81/68/99/388816899.db2.gz KXNAZTVPTWHNLQ-GWCFXTLKSA-N 0 3 238.762 3.498 20 0 BGADHN CC[C@@H]1CC[C@H](C)N1Cc1ccc(Cl)cn1 ZINC000554501288 388816983 /nfs/dbraw/zinc/81/69/83/388816983.db2.gz KXNAZTVPTWHNLQ-GXFFZTMASA-N 0 3 238.762 3.498 20 0 BGADHN CC[C@H]1CC[C@@H](C)N1Cc1ccc(Cl)cn1 ZINC000554501289 388816836 /nfs/dbraw/zinc/81/68/36/388816836.db2.gz KXNAZTVPTWHNLQ-MFKMUULPSA-N 0 3 238.762 3.498 20 0 BGADHN CC[C@@H]1CC[C@@H](C)N1Cc1ccc(Cl)cn1 ZINC000554501290 388816719 /nfs/dbraw/zinc/81/67/19/388816719.db2.gz KXNAZTVPTWHNLQ-ZWNOBZJWSA-N 0 3 238.762 3.498 20 0 BGADHN C[C@@H](NCCCF)c1cnn(C2CCCC2)c1 ZINC000554558975 325727380 /nfs/dbraw/zinc/72/73/80/325727380.db2.gz SJYTWYMBSMBBGP-LLVKDONJSA-N 0 3 239.338 3.008 20 0 BGADHN C[C@H](NCCCF)c1cnn(C2CCCC2)c1 ZINC000554558976 388822978 /nfs/dbraw/zinc/82/29/78/388822978.db2.gz SJYTWYMBSMBBGP-NSHDSACASA-N 0 3 239.338 3.008 20 0 BGADHN Cc1ccc2c(c1)[C@@H](N[C@@H]1CCC13CCC3)CO2 ZINC000554559622 388821936 /nfs/dbraw/zinc/82/19/36/388821936.db2.gz NTVXRUZAUFCAAY-DZGCQCFKSA-N 0 3 243.350 3.351 20 0 BGADHN Cc1ccc2c(c1)[C@H](N[C@H]1CCC13CCC3)CO2 ZINC000554559623 325727390 /nfs/dbraw/zinc/72/73/90/325727390.db2.gz NTVXRUZAUFCAAY-HIFRSBDPSA-N 0 3 243.350 3.351 20 0 BGADHN Cc1ccc2c(c1)[C@H](N[C@@H]1CCC13CCC3)CO2 ZINC000554559624 325727238 /nfs/dbraw/zinc/72/72/38/325727238.db2.gz NTVXRUZAUFCAAY-UKRRQHHQSA-N 0 3 243.350 3.351 20 0 BGADHN Cc1ccc2c(c1)[C@@H](N[C@H]1CCC13CCC3)CO2 ZINC000554559625 388822607 /nfs/dbraw/zinc/82/26/07/388822607.db2.gz NTVXRUZAUFCAAY-ZFWWWQNUSA-N 0 3 243.350 3.351 20 0 BGADHN CCc1cc(OC)ccc1CN1[C@@H](C)C[C@@H]1C ZINC000554569174 388822803 /nfs/dbraw/zinc/82/28/03/388822803.db2.gz NUNVXJCYJSBUBN-RYUDHWBXSA-N 0 3 233.355 3.240 20 0 BGADHN CCc1cc(OC)ccc1CN1[C@H](C)C[C@@H]1C ZINC000554569175 388822165 /nfs/dbraw/zinc/82/21/65/388822165.db2.gz NUNVXJCYJSBUBN-TXEJJXNPSA-N 0 3 233.355 3.240 20 0 BGADHN CCc1cc(OC)ccc1CN1[C@H](C)C[C@H]1C ZINC000554569176 388822093 /nfs/dbraw/zinc/82/20/93/388822093.db2.gz NUNVXJCYJSBUBN-VXGBXAGGSA-N 0 3 233.355 3.240 20 0 BGADHN Fc1ccc(CNCCC2(F)CCC2)c(F)c1 ZINC000554722231 325734684 /nfs/dbraw/zinc/73/46/84/325734684.db2.gz XVJBTSTXBQQZML-UHFFFAOYSA-N 0 3 243.272 3.337 20 0 BGADHN Cc1cccc(CN[C@H]2CC[C@@H]2C2CCC2)n1 ZINC000554724476 388829487 /nfs/dbraw/zinc/82/94/87/388829487.db2.gz MEYSNBMXBVDGBD-CABCVRRESA-N 0 3 230.355 3.058 20 0 BGADHN Cc1cccc(CN[C@H]2CC[C@H]2C2CCC2)n1 ZINC000554724477 388828393 /nfs/dbraw/zinc/82/83/93/388828393.db2.gz MEYSNBMXBVDGBD-GJZGRUSLSA-N 0 3 230.355 3.058 20 0 BGADHN Cc1cccc(CN[C@@H]2CC[C@@H]2C2CCC2)n1 ZINC000554724478 388829505 /nfs/dbraw/zinc/82/95/05/388829505.db2.gz MEYSNBMXBVDGBD-HUUCEWRRSA-N 0 3 230.355 3.058 20 0 BGADHN Cc1cccc(CN[C@@H]2CC[C@H]2C2CCC2)n1 ZINC000554724479 325734613 /nfs/dbraw/zinc/73/46/13/325734613.db2.gz MEYSNBMXBVDGBD-LSDHHAIUSA-N 0 3 230.355 3.058 20 0 BGADHN C/C(=C/c1ccccc1)CN[C@H]1C[C@@H]1C(F)F ZINC000554727121 325735037 /nfs/dbraw/zinc/73/50/37/325735037.db2.gz VXJLDHJRUMJGGM-OAZPXDFESA-N 0 3 237.293 3.333 20 0 BGADHN C/C(=C\c1ccccc1)CN[C@H]1C[C@@H]1C(F)F ZINC000554727124 325734939 /nfs/dbraw/zinc/73/49/39/325734939.db2.gz VXJLDHJRUMJGGM-ZCUOCTDKSA-N 0 3 237.293 3.333 20 0 BGADHN CC(C)=CCN1CC[C@@H](CC(F)(F)F)C1 ZINC000554742102 388829067 /nfs/dbraw/zinc/82/90/67/388829067.db2.gz TXCXRIDKBXWGLW-JTQLQIEISA-N 0 3 221.266 3.227 20 0 BGADHN CC(C)=CCN1CC[C@H](CC(F)(F)F)C1 ZINC000554742118 388829529 /nfs/dbraw/zinc/82/95/29/388829529.db2.gz TXCXRIDKBXWGLW-SNVBAGLBSA-N 0 3 221.266 3.227 20 0 BGADHN CC[C@@H](C)[C@H]1CCCCN1Cc1cc(C)on1 ZINC000554890116 397976261 /nfs/dbraw/zinc/97/62/61/397976261.db2.gz URDWFXPVHFJVKK-BXUZGUMPSA-N 0 3 236.359 3.384 20 0 BGADHN CC[C@H](C)[C@@H]1CCCCN1Cc1cc(C)on1 ZINC000554890118 397975650 /nfs/dbraw/zinc/97/56/50/397975650.db2.gz URDWFXPVHFJVKK-FZMZJTMJSA-N 0 3 236.359 3.384 20 0 BGADHN CC[C@@H](C)[C@@H]1CCCCN1Cc1cc(C)on1 ZINC000554890119 397975559 /nfs/dbraw/zinc/97/55/59/397975559.db2.gz URDWFXPVHFJVKK-RISCZKNCSA-N 0 3 236.359 3.384 20 0 BGADHN CC[C@H](C)[C@H]1CCCCN1Cc1cc(C)on1 ZINC000554890120 397975715 /nfs/dbraw/zinc/97/57/15/397975715.db2.gz URDWFXPVHFJVKK-SMDDNHRTSA-N 0 3 236.359 3.384 20 0 BGADHN Cc1cccc(CN2CCC(F)(F)[C@H](C)C2)c1 ZINC000554946141 388835950 /nfs/dbraw/zinc/83/59/50/388835950.db2.gz OROHICZFZHHUNY-GFCCVEGCSA-N 0 3 239.309 3.472 20 0 BGADHN Cc1cccc(CN2CCC(F)(F)[C@@H](C)C2)c1 ZINC000554946148 388835768 /nfs/dbraw/zinc/83/57/68/388835768.db2.gz OROHICZFZHHUNY-LBPRGKRZSA-N 0 3 239.309 3.472 20 0 BGADHN CC1(C)[C@@H]2CN(Cc3sccc3Cl)C[C@@H]21 ZINC000555016143 397989058 /nfs/dbraw/zinc/98/90/58/397989058.db2.gz UFSSSKKTHBOFQV-DTORHVGOSA-N 0 3 241.787 3.489 20 0 BGADHN C[C@H]1CN(Cc2sccc2Cl)C[C@H]1C ZINC000555016444 397989574 /nfs/dbraw/zinc/98/95/74/397989574.db2.gz ZRKSPNVLKKITOH-DTORHVGOSA-N 0 3 229.776 3.489 20 0 BGADHN C[C@H]1CN(Cc2sccc2Cl)C[C@@H]1C ZINC000555016445 325743133 /nfs/dbraw/zinc/74/31/33/325743133.db2.gz ZRKSPNVLKKITOH-IUCAKERBSA-N 0 3 229.776 3.489 20 0 BGADHN C[C@@H]1CN(Cc2sccc2Cl)C[C@H]1C ZINC000555016448 397989317 /nfs/dbraw/zinc/98/93/17/397989317.db2.gz ZRKSPNVLKKITOH-RKDXNWHRSA-N 0 3 229.776 3.489 20 0 BGADHN FC(F)O[C@H]1CCN(CCCC2CCCC2)C1 ZINC000555073257 487768735 /nfs/dbraw/zinc/76/87/35/487768735.db2.gz NNJPTAQSFUYFPU-LBPRGKRZSA-N 0 3 247.329 3.270 20 0 BGADHN C[C@@H](c1ccccc1)N1CC[C@H](OC(F)F)C1 ZINC000555074641 487769148 /nfs/dbraw/zinc/76/91/48/487769148.db2.gz CFFOXOFDYIZVAA-JQWIXIFHSA-N 0 3 241.281 3.061 20 0 BGADHN C[C@H](c1ccccc1)N1CC[C@H](OC(F)F)C1 ZINC000555074645 487768665 /nfs/dbraw/zinc/76/86/65/487768665.db2.gz CFFOXOFDYIZVAA-PWSUYJOCSA-N 0 3 241.281 3.061 20 0 BGADHN COc1cccc(CN2CC(C)(C)[C@@H]2C2CC2)c1 ZINC000555099724 397993522 /nfs/dbraw/zinc/99/35/22/397993522.db2.gz PDVBRFPMWKUGRO-HNNXBMFYSA-N 0 3 245.366 3.316 20 0 BGADHN COc1cccc(CN2CC(C)(C)[C@H]2C2CC2)c1 ZINC000555099726 397993383 /nfs/dbraw/zinc/99/33/83/397993383.db2.gz PDVBRFPMWKUGRO-OAHLLOKOSA-N 0 3 245.366 3.316 20 0 BGADHN CSCCCOc1cc(C)nc(C)c1C ZINC000555122128 388840593 /nfs/dbraw/zinc/84/05/93/388840593.db2.gz NUWCFKXBZDODAD-UHFFFAOYSA-N 0 3 225.357 3.139 20 0 BGADHN Cc1ccc2nccc(NCC(C)(F)F)c2c1 ZINC000555204941 388842205 /nfs/dbraw/zinc/84/22/05/388842205.db2.gz KGUPKTGQNSRQND-UHFFFAOYSA-N 0 3 236.265 3.032 20 0 BGADHN CCc1cc(CNC(C2CCC2)C2CCC2)on1 ZINC000555235600 388843796 /nfs/dbraw/zinc/84/37/96/388843796.db2.gz KKBISHCSFCKBHL-UHFFFAOYSA-N 0 3 248.370 3.295 20 0 BGADHN Cc1cccc(CN(C)[C@H](C)C(C)(C)C)n1 ZINC000555290280 388844726 /nfs/dbraw/zinc/84/47/26/388844726.db2.gz PAVRDFTWUWQHDY-GFCCVEGCSA-N 0 3 220.360 3.256 20 0 BGADHN Cc1cccc(CN(C)[C@@H](C)C(C)(C)C)n1 ZINC000555290281 388844510 /nfs/dbraw/zinc/84/45/10/388844510.db2.gz PAVRDFTWUWQHDY-LBPRGKRZSA-N 0 3 220.360 3.256 20 0 BGADHN CC(C)COc1ccc(CN2CC(C)C2)cc1 ZINC000555340831 325754156 /nfs/dbraw/zinc/75/41/56/325754156.db2.gz SRVKSHRVNXSMDP-UHFFFAOYSA-N 0 3 233.355 3.173 20 0 BGADHN CC1CN(Cc2ccc3ccccc3c2)C1 ZINC000555341601 388846564 /nfs/dbraw/zinc/84/65/64/388846564.db2.gz IMKZYJLVEPOVNY-UHFFFAOYSA-N 0 3 211.308 3.292 20 0 BGADHN CCn1cc(CN(C)[C@H]2C=CCCCCC2)cn1 ZINC000555364680 388847039 /nfs/dbraw/zinc/84/70/39/388847039.db2.gz NSLBHZXEZRKXMD-HNNXBMFYSA-N 0 3 247.386 3.224 20 0 BGADHN CCn1cc(CN(C)[C@@H]2C=CCCCCC2)cn1 ZINC000555364681 388845852 /nfs/dbraw/zinc/84/58/52/388845852.db2.gz NSLBHZXEZRKXMD-OAHLLOKOSA-N 0 3 247.386 3.224 20 0 BGADHN C[C@@]1(F)CCN([C@@H]2C=CCCCCC2)C1 ZINC000555418331 388848424 /nfs/dbraw/zinc/84/84/24/388848424.db2.gz NXRKWRBXMMIDTO-CHWSQXEVSA-N 0 3 211.324 3.309 20 0 BGADHN C[C@]1(F)CCN([C@@H]2C=CCCCCC2)C1 ZINC000555418335 388848877 /nfs/dbraw/zinc/84/88/77/388848877.db2.gz NXRKWRBXMMIDTO-OLZOCXBDSA-N 0 3 211.324 3.309 20 0 BGADHN C[C@@]1(F)CCN([C@H]2C=CCCCCC2)C1 ZINC000555418336 388848585 /nfs/dbraw/zinc/84/85/85/388848585.db2.gz NXRKWRBXMMIDTO-QWHCGFSZSA-N 0 3 211.324 3.309 20 0 BGADHN C[C@]1(F)CCN([C@H]2C=CCCCCC2)C1 ZINC000555418337 388849163 /nfs/dbraw/zinc/84/91/63/388849163.db2.gz NXRKWRBXMMIDTO-STQMWFEESA-N 0 3 211.324 3.309 20 0 BGADHN CCCC1CCC(N(C)Cc2ccno2)CC1 ZINC000555462538 388850282 /nfs/dbraw/zinc/85/02/82/388850282.db2.gz PRMSEGIBJZQCFO-UHFFFAOYSA-N 0 3 236.359 3.465 20 0 BGADHN FC(F)O[C@H]1CCN([C@@H]2C=CCCCCC2)C1 ZINC000555511634 388852037 /nfs/dbraw/zinc/85/20/37/388852037.db2.gz IXVANEJGENHKSW-NEPJUHHUSA-N 0 3 245.313 3.189 20 0 BGADHN FC(F)O[C@H]1CCN([C@H]2C=CCCCCC2)C1 ZINC000555511635 388852251 /nfs/dbraw/zinc/85/22/51/388852251.db2.gz IXVANEJGENHKSW-RYUDHWBXSA-N 0 3 245.313 3.189 20 0 BGADHN COc1ccc(F)c(CNCCCC2CC2)c1 ZINC000555552187 325762094 /nfs/dbraw/zinc/76/20/94/325762094.db2.gz JYWFEXGZOBTHSI-UHFFFAOYSA-N 0 3 237.318 3.114 20 0 BGADHN CCc1nocc1CNCC(C)(C)CC(C)C ZINC000555563178 388854610 /nfs/dbraw/zinc/85/46/10/388854610.db2.gz YSPRTVBFXSGMHL-UHFFFAOYSA-N 0 3 238.375 3.399 20 0 BGADHN COc1ccc(F)c(CNCCC=C(C)C)c1 ZINC000555583387 388855049 /nfs/dbraw/zinc/85/50/49/388855049.db2.gz ITXFKIUACNEFPW-UHFFFAOYSA-N 0 3 237.318 3.280 20 0 BGADHN CCOc1ccc2c(c1)CCN(CC1(C)CC1)C2 ZINC000555595166 388854828 /nfs/dbraw/zinc/85/48/28/388854828.db2.gz OJXUWPZEBSBBJJ-UHFFFAOYSA-N 0 3 245.366 3.244 20 0 BGADHN C[C@@]1(CNCC2(F)CC2)C[C@H]1c1ccccc1 ZINC000555606027 388856394 /nfs/dbraw/zinc/85/63/94/388856394.db2.gz AURBYQRBJWRSHF-KBPBESRZSA-N 0 3 233.330 3.272 20 0 BGADHN CCCc1nc(C)c(CNC(C2CC2)C2CC2)o1 ZINC000555608008 388856692 /nfs/dbraw/zinc/85/66/92/388856692.db2.gz FUVKYJVYBMFXKN-UHFFFAOYSA-N 0 3 248.370 3.214 20 0 BGADHN CCCc1nc(C)c(CN[C@H]2CCC[C@H]3C[C@H]32)o1 ZINC000555608043 325764537 /nfs/dbraw/zinc/76/45/37/325764537.db2.gz PGNHIKCSEIUZLP-XQQFMLRXSA-N 0 3 248.370 3.214 20 0 BGADHN CCCc1nc(C)c(CN[C@@H]2CCC[C@H]3C[C@H]32)o1 ZINC000555608044 325764446 /nfs/dbraw/zinc/76/44/46/325764446.db2.gz PGNHIKCSEIUZLP-YNEHKIRRSA-N 0 3 248.370 3.214 20 0 BGADHN c1ccc(CNC[C@@H]2C[C@H]2C2CCCCC2)nc1 ZINC000555619803 325765824 /nfs/dbraw/zinc/76/58/24/325765824.db2.gz IFZOWRVXHMNHIH-HOCLYGCPSA-N 0 3 244.382 3.388 20 0 BGADHN C[C@@H]1CN(CCOc2ccc(Cl)cc2)[C@@H]1C ZINC000555634892 388857246 /nfs/dbraw/zinc/85/72/46/388857246.db2.gz LHGPASOEVZCVKG-GHMZBOCLSA-N 0 3 239.746 3.059 20 0 BGADHN C[C@@H]1CN(CCOc2ccc(Cl)cc2)[C@H]1C ZINC000555634893 388857187 /nfs/dbraw/zinc/85/71/87/388857187.db2.gz LHGPASOEVZCVKG-MNOVXSKESA-N 0 3 239.746 3.059 20 0 BGADHN C[C@H]1CN(CCOc2ccc(Cl)cc2)[C@H]1C ZINC000555634894 388857338 /nfs/dbraw/zinc/85/73/38/388857338.db2.gz LHGPASOEVZCVKG-QWRGUYRKSA-N 0 3 239.746 3.059 20 0 BGADHN C[C@@H]1[C@@H](C)CN1CCOc1ccc(Cl)cc1 ZINC000555634895 388856809 /nfs/dbraw/zinc/85/68/09/388856809.db2.gz LHGPASOEVZCVKG-WDEREUQCSA-N 0 3 239.746 3.059 20 0 BGADHN CCc1cccc(CN2C[C@@H](C)[C@@H]2C)c1 ZINC000555635262 388856267 /nfs/dbraw/zinc/85/62/67/388856267.db2.gz VUFWJBPDTJTABY-NEPJUHHUSA-N 0 3 203.329 3.089 20 0 BGADHN CCc1cccc(CN2C[C@H](C)[C@H]2C)c1 ZINC000555635263 388856988 /nfs/dbraw/zinc/85/69/88/388856988.db2.gz VUFWJBPDTJTABY-NWDGAFQWSA-N 0 3 203.329 3.089 20 0 BGADHN CCc1cccc(CN2C[C@H](C)[C@@H]2C)c1 ZINC000555635264 388857284 /nfs/dbraw/zinc/85/72/84/388857284.db2.gz VUFWJBPDTJTABY-RYUDHWBXSA-N 0 3 203.329 3.089 20 0 BGADHN CCc1cccc(CN2C[C@@H](C)[C@H]2C)c1 ZINC000555635265 388858015 /nfs/dbraw/zinc/85/80/15/388858015.db2.gz VUFWJBPDTJTABY-VXGBXAGGSA-N 0 3 203.329 3.089 20 0 BGADHN C[C@@H]1CN(Cc2ccc3ncccc3c2)[C@H]1C ZINC000555636590 388858785 /nfs/dbraw/zinc/85/87/85/388858785.db2.gz WQDPKPCXKSHPEO-NEPJUHHUSA-N 0 3 226.323 3.075 20 0 BGADHN C[C@@H]1[C@@H](C)CN1Cc1ccc2ncccc2c1 ZINC000555636594 388858987 /nfs/dbraw/zinc/85/89/87/388858987.db2.gz WQDPKPCXKSHPEO-NWDGAFQWSA-N 0 3 226.323 3.075 20 0 BGADHN C[C@H]1CN(Cc2ccc3ncccc3c2)[C@H]1C ZINC000555636596 388858411 /nfs/dbraw/zinc/85/84/11/388858411.db2.gz WQDPKPCXKSHPEO-RYUDHWBXSA-N 0 3 226.323 3.075 20 0 BGADHN C[C@@H]1CN(Cc2ccc3ncccc3c2)[C@@H]1C ZINC000555636598 388859153 /nfs/dbraw/zinc/85/91/53/388859153.db2.gz WQDPKPCXKSHPEO-VXGBXAGGSA-N 0 3 226.323 3.075 20 0 BGADHN Cc1ccc(CN2C[C@@H](C)[C@H]2C)cc1C ZINC000555643117 388859123 /nfs/dbraw/zinc/85/91/23/388859123.db2.gz SCHJZKQPNGUFAX-CHWSQXEVSA-N 0 3 203.329 3.144 20 0 BGADHN Cc1ccc(CN2C[C@@H](C)[C@@H]2C)cc1C ZINC000555643118 388858254 /nfs/dbraw/zinc/85/82/54/388858254.db2.gz SCHJZKQPNGUFAX-OLZOCXBDSA-N 0 3 203.329 3.144 20 0 BGADHN Cc1ccc(CN2C[C@H](C)[C@H]2C)cc1C ZINC000555643119 388859209 /nfs/dbraw/zinc/85/92/09/388859209.db2.gz SCHJZKQPNGUFAX-QWHCGFSZSA-N 0 3 203.329 3.144 20 0 BGADHN Cc1ccc(CN2C[C@H](C)[C@@H]2C)cc1C ZINC000555643120 388858191 /nfs/dbraw/zinc/85/81/91/388858191.db2.gz SCHJZKQPNGUFAX-STQMWFEESA-N 0 3 203.329 3.144 20 0 BGADHN CCc1nc(C)c(CN(C)[C@H](C)C(C)(C)C)o1 ZINC000555645077 388858670 /nfs/dbraw/zinc/85/86/70/388858670.db2.gz CWWCWGVOUYRMJT-LLVKDONJSA-N 0 3 238.375 3.412 20 0 BGADHN CCc1nc(C)c(CN(C)[C@@H](C)C(C)(C)C)o1 ZINC000555645079 388858813 /nfs/dbraw/zinc/85/88/13/388858813.db2.gz CWWCWGVOUYRMJT-NSHDSACASA-N 0 3 238.375 3.412 20 0 BGADHN Cc1cc(C)c([C@H](C)N2CCO[C@@H](C)C2)c(C)c1 ZINC000555650511 388858308 /nfs/dbraw/zinc/85/83/08/388858308.db2.gz ZYBZFBIYHTYWIW-GJZGRUSLSA-N 0 3 247.382 3.394 20 0 BGADHN Cc1cc(C)c([C@@H](C)N2CCO[C@@H](C)C2)c(C)c1 ZINC000555650516 388857871 /nfs/dbraw/zinc/85/78/71/388857871.db2.gz ZYBZFBIYHTYWIW-LSDHHAIUSA-N 0 3 247.382 3.394 20 0 BGADHN Fc1ccccc1[C@H]1C[C@H](NCC2(F)CC2)C1 ZINC000555855743 388862040 /nfs/dbraw/zinc/86/20/40/388862040.db2.gz ALNKNRCKYYVUPM-XYPYZODXSA-N 0 3 237.293 3.163 20 0 BGADHN Cc1nsc(C)c1CN(C)[C@@H](C)C(C)C ZINC000555879732 364696837 /nfs/dbraw/zinc/69/68/37/364696837.db2.gz FOKHRGPOTHYIHR-JTQLQIEISA-N 0 3 226.389 3.236 20 0 BGADHN Cc1nsc(C)c1CN(C)[C@H](C)C(C)C ZINC000555879736 364696783 /nfs/dbraw/zinc/69/67/83/364696783.db2.gz FOKHRGPOTHYIHR-SNVBAGLBSA-N 0 3 226.389 3.236 20 0 BGADHN C1=C[C@H](N2CCOC3(CCC3)C2)CCCCC1 ZINC000556126131 388867943 /nfs/dbraw/zinc/86/79/43/388867943.db2.gz DUOFTVVFVCJNJH-AWEZNQCLSA-N 0 3 235.371 3.130 20 0 BGADHN C1=C[C@@H](N2CCOC3(CCC3)C2)CCCCC1 ZINC000556126132 388867991 /nfs/dbraw/zinc/86/79/91/388867991.db2.gz DUOFTVVFVCJNJH-CQSZACIVSA-N 0 3 235.371 3.130 20 0 BGADHN CCn1cccc1CNCC(C)(C)C(F)(F)F ZINC000556166421 325782300 /nfs/dbraw/zinc/78/23/00/325782300.db2.gz WIRZJAXJAIRCNC-UHFFFAOYSA-N 0 3 248.292 3.186 20 0 BGADHN CCn1ccnc1CNC[C@@H]1CCCC(C)(C)C1 ZINC000556177146 325783026 /nfs/dbraw/zinc/78/30/26/325783026.db2.gz WSPZOPYPTMMRDU-CYBMUJFWSA-N 0 3 249.402 3.209 20 0 BGADHN CCn1ccnc1CNC[C@H]1CCCC(C)(C)C1 ZINC000556177148 325783201 /nfs/dbraw/zinc/78/32/01/325783201.db2.gz WSPZOPYPTMMRDU-ZDUSSCGKSA-N 0 3 249.402 3.209 20 0 BGADHN CCc1ccc(CN2CCC(CF)CC2)s1 ZINC000556180531 388869128 /nfs/dbraw/zinc/86/91/28/388869128.db2.gz VAZIPCARHKIWMH-UHFFFAOYSA-N 0 3 241.375 3.492 20 0 BGADHN CC[C@H]1CC[C@H](N[C@@H](C)c2cnccn2)CC1 ZINC000556202674 388870554 /nfs/dbraw/zinc/87/05/54/388870554.db2.gz VLJOUONGKIGYDX-AVGNSLFASA-N 0 3 233.359 3.096 20 0 BGADHN CC[C@H]1CC[C@H](N[C@H](C)c2cnccn2)CC1 ZINC000556202676 388870764 /nfs/dbraw/zinc/87/07/64/388870764.db2.gz VLJOUONGKIGYDX-JHJVBQTASA-N 0 3 233.359 3.096 20 0 BGADHN CC[C@H](NC1CC(C(C)(C)C)C1)c1ccn(C)n1 ZINC000556220725 388871946 /nfs/dbraw/zinc/87/19/46/388871946.db2.gz BCVRMEWHCUHNLQ-BPCQOVAHSA-N 0 3 249.402 3.286 20 0 BGADHN CC[C@@H](NC1CC(C(C)(C)C)C1)c1ccn(C)n1 ZINC000556220727 388872492 /nfs/dbraw/zinc/87/24/92/388872492.db2.gz BCVRMEWHCUHNLQ-WXRRBKDZSA-N 0 3 249.402 3.286 20 0 BGADHN CCc1noc(C)c1CN[C@@H]1CC[C@@H]1C(C)C ZINC000556220743 388871939 /nfs/dbraw/zinc/87/19/39/388871939.db2.gz AOQPHLFXJCGRPT-BXUZGUMPSA-N 0 3 236.359 3.070 20 0 BGADHN CCc1noc(C)c1CN[C@H]1CC[C@H]1C(C)C ZINC000556220749 325785480 /nfs/dbraw/zinc/78/54/80/325785480.db2.gz AOQPHLFXJCGRPT-FZMZJTMJSA-N 0 3 236.359 3.070 20 0 BGADHN CCc1noc(C)c1CN[C@H]1CC[C@@H]1C(C)C ZINC000556220751 325785289 /nfs/dbraw/zinc/78/52/89/325785289.db2.gz AOQPHLFXJCGRPT-RISCZKNCSA-N 0 3 236.359 3.070 20 0 BGADHN CCc1noc(C)c1CN[C@@H]1CC[C@H]1C(C)C ZINC000556220754 388871887 /nfs/dbraw/zinc/87/18/87/388871887.db2.gz AOQPHLFXJCGRPT-SMDDNHRTSA-N 0 3 236.359 3.070 20 0 BGADHN CCc1cccnc1[C@@H](C)NC1(C(C)C)CC1 ZINC000556233356 325785720 /nfs/dbraw/zinc/78/57/20/325785720.db2.gz PIDWASAWFWOFSY-GFCCVEGCSA-N 0 3 232.371 3.483 20 0 BGADHN CCc1cccnc1[C@H](C)NC1(C(C)C)CC1 ZINC000556233360 388872267 /nfs/dbraw/zinc/87/22/67/388872267.db2.gz PIDWASAWFWOFSY-LBPRGKRZSA-N 0 3 232.371 3.483 20 0 BGADHN C[C@@H](NCCC1(C)CC1)c1cn2ccccc2n1 ZINC000556244082 325787027 /nfs/dbraw/zinc/78/70/27/325787027.db2.gz WRJKQRMCOOSBIO-GFCCVEGCSA-N 0 3 243.354 3.175 20 0 BGADHN C[C@H](NCCC1(C)CC1)c1cn2ccccc2n1 ZINC000556244083 325786979 /nfs/dbraw/zinc/78/69/79/325786979.db2.gz WRJKQRMCOOSBIO-LBPRGKRZSA-N 0 3 243.354 3.175 20 0 BGADHN CC(C)O[C@H]1C[C@H](N[C@H]2CCC[C@H]2F)C1(C)C ZINC000556252490 388873557 /nfs/dbraw/zinc/87/35/57/388873557.db2.gz LQZLIDAVEUOAOP-VOAKCMCISA-N 0 3 243.366 3.059 20 0 BGADHN CC(C)O[C@H]1C[C@@H](N[C@H]2CCC[C@H]2F)C1(C)C ZINC000556252492 325787426 /nfs/dbraw/zinc/78/74/26/325787426.db2.gz LQZLIDAVEUOAOP-XQHKEYJVSA-N 0 3 243.366 3.059 20 0 BGADHN CC(C)O[C@@H]1C[C@@H](N[C@H]2CCC[C@H]2F)C1(C)C ZINC000556252493 388873629 /nfs/dbraw/zinc/87/36/29/388873629.db2.gz LQZLIDAVEUOAOP-YVECIDJPSA-N 0 3 243.366 3.059 20 0 BGADHN CC[C@@H](NC[C@H]1CCCC1(C)C)c1ccn(C)n1 ZINC000556260196 325788043 /nfs/dbraw/zinc/78/80/43/325788043.db2.gz LFYCLZOOXCLJEQ-CHWSQXEVSA-N 0 3 249.402 3.287 20 0 BGADHN CC[C@H](NC[C@H]1CCCC1(C)C)c1ccn(C)n1 ZINC000556260198 388873367 /nfs/dbraw/zinc/87/33/67/388873367.db2.gz LFYCLZOOXCLJEQ-OLZOCXBDSA-N 0 3 249.402 3.287 20 0 BGADHN CC[C@@H](NC[C@@H]1CCCC1(C)C)c1ccn(C)n1 ZINC000556260200 388873791 /nfs/dbraw/zinc/87/37/91/388873791.db2.gz LFYCLZOOXCLJEQ-QWHCGFSZSA-N 0 3 249.402 3.287 20 0 BGADHN CC[C@H](NC[C@@H]1CCCC1(C)C)c1ccn(C)n1 ZINC000556260202 325787925 /nfs/dbraw/zinc/78/79/25/325787925.db2.gz LFYCLZOOXCLJEQ-STQMWFEESA-N 0 3 249.402 3.287 20 0 BGADHN C[C@@H](NCC(C)(C)C)c1cn2ccccc2n1 ZINC000556260711 325788084 /nfs/dbraw/zinc/78/80/84/325788084.db2.gz HWQKDMWDUWSLEY-LLVKDONJSA-N 0 3 231.343 3.031 20 0 BGADHN C[C@H](NCC(C)(C)C)c1cn2ccccc2n1 ZINC000556260714 370702995 /nfs/dbraw/zinc/70/29/95/370702995.db2.gz HWQKDMWDUWSLEY-NSHDSACASA-N 0 3 231.343 3.031 20 0 BGADHN C[C@H](N[C@H]1CCC[C@H]1C)c1cn2ccccc2n1 ZINC000556261120 325788176 /nfs/dbraw/zinc/78/81/76/325788176.db2.gz QRDQLZKDWNBRJS-AGIUHOORSA-N 0 3 243.354 3.174 20 0 BGADHN C[C@H](N[C@H]1CCC[C@@H]1C)c1cn2ccccc2n1 ZINC000556261123 325788222 /nfs/dbraw/zinc/78/82/22/325788222.db2.gz QRDQLZKDWNBRJS-AVGNSLFASA-N 0 3 243.354 3.174 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@H]1C)c1cn2ccccc2n1 ZINC000556261126 388873355 /nfs/dbraw/zinc/87/33/55/388873355.db2.gz QRDQLZKDWNBRJS-FRRDWIJNSA-N 0 3 243.354 3.174 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@@H]1C)c1cn2ccccc2n1 ZINC000556261127 325787912 /nfs/dbraw/zinc/78/79/12/325787912.db2.gz QRDQLZKDWNBRJS-RWMBFGLXSA-N 0 3 243.354 3.174 20 0 BGADHN COc1cccc2c1CC[C@H]2N[C@@H]1CCC[C@@H]1F ZINC000556261404 325788146 /nfs/dbraw/zinc/78/81/46/325788146.db2.gz ROZGRYDDTARWTF-BFHYXJOUSA-N 0 3 249.329 3.163 20 0 BGADHN COc1ccc2c(c1)[C@@H](N[C@H]1CCC[C@H]1F)CC2 ZINC000556261814 325787962 /nfs/dbraw/zinc/78/79/62/325787962.db2.gz XVWDYQFSHQFBLU-ILXRZTDVSA-N 0 3 249.329 3.163 20 0 BGADHN Fc1cccc2c1CC[C@H]2N[C@H]1CCC[C@H]1F ZINC000556262267 325788331 /nfs/dbraw/zinc/78/83/31/325788331.db2.gz XLAHOCSQFNTPDM-MCIONIFRSA-N 0 3 237.293 3.293 20 0 BGADHN C[C@@H](NCC1(C)CCC1)c1cn2ccccc2n1 ZINC000556263412 370702925 /nfs/dbraw/zinc/70/29/25/370702925.db2.gz YMLGQWXCMVAMFK-GFCCVEGCSA-N 0 3 243.354 3.175 20 0 BGADHN C[C@H](NCC1(C)CCC1)c1cn2ccccc2n1 ZINC000556263413 370703078 /nfs/dbraw/zinc/70/30/78/370703078.db2.gz YMLGQWXCMVAMFK-LBPRGKRZSA-N 0 3 243.354 3.175 20 0 BGADHN CCC1(CN[C@H](C)c2cn3ccccc3n2)CC1 ZINC000556264890 325788518 /nfs/dbraw/zinc/78/85/18/325788518.db2.gz WZMPLDXBPUXUKF-GFCCVEGCSA-N 0 3 243.354 3.175 20 0 BGADHN CCC1(CN[C@@H](C)c2cn3ccccc3n2)CC1 ZINC000556264891 325788807 /nfs/dbraw/zinc/78/88/07/325788807.db2.gz WZMPLDXBPUXUKF-LBPRGKRZSA-N 0 3 243.354 3.175 20 0 BGADHN C[C@@H](NCCCC1CC1)c1cn2ccccc2n1 ZINC000556265085 370702897 /nfs/dbraw/zinc/70/28/97/370702897.db2.gz ZJQHDWFSGHDQQO-GFCCVEGCSA-N 0 3 243.354 3.175 20 0 BGADHN C[C@H](NCCCC1CC1)c1cn2ccccc2n1 ZINC000556265087 325788863 /nfs/dbraw/zinc/78/88/63/325788863.db2.gz ZJQHDWFSGHDQQO-LBPRGKRZSA-N 0 3 243.354 3.175 20 0 BGADHN CCC(C)(CC)NCc1cn2cc(C)ccc2n1 ZINC000556385061 384170670 /nfs/dbraw/zinc/17/06/70/384170670.db2.gz FEEODOWATWOWJP-UHFFFAOYSA-N 0 3 245.370 3.311 20 0 BGADHN CCC(C)(C)[C@@H](C)NCc1cccnc1OC ZINC000556418152 384374400 /nfs/dbraw/zinc/37/44/00/384374400.db2.gz RFYMLZRBAJTONE-LLVKDONJSA-N 0 3 236.359 3.005 20 0 BGADHN CCC(C)(C)[C@H](C)NCc1cccnc1OC ZINC000556418154 384374416 /nfs/dbraw/zinc/37/44/16/384374416.db2.gz RFYMLZRBAJTONE-NSHDSACASA-N 0 3 236.359 3.005 20 0 BGADHN CCc1ncc(CN[C@@H](C)C(C)(C)CC)o1 ZINC000556444243 384388570 /nfs/dbraw/zinc/38/85/70/384388570.db2.gz ZQDZANYVAPIBKX-JTQLQIEISA-N 0 3 224.348 3.151 20 0 BGADHN CCc1ncc(CN[C@H](C)C(C)(C)CC)o1 ZINC000556444244 322912761 /nfs/dbraw/zinc/91/27/61/322912761.db2.gz ZQDZANYVAPIBKX-SNVBAGLBSA-N 0 3 224.348 3.151 20 0 BGADHN CC(C)(C)CCN1CCO[C@@H](C(C)(C)C)C1 ZINC000556530452 384423668 /nfs/dbraw/zinc/42/36/68/384423668.db2.gz IULYCFOLFMSBBJ-GFCCVEGCSA-N 0 3 227.392 3.170 20 0 BGADHN CC(C)(C)CCN1CCO[C@H](C(C)(C)C)C1 ZINC000556530459 384422979 /nfs/dbraw/zinc/42/29/79/384422979.db2.gz IULYCFOLFMSBBJ-LBPRGKRZSA-N 0 3 227.392 3.170 20 0 BGADHN CCC1CC(N[C@@H]2COc3ccc(C)cc32)C1 ZINC000556583526 322916258 /nfs/dbraw/zinc/91/62/58/322916258.db2.gz KAVJHANDXOXUAJ-ORHYLEIMSA-N 0 3 231.339 3.207 20 0 BGADHN CCC1CC(N[C@H]2COc3ccc(C)cc32)C1 ZINC000556583527 384432490 /nfs/dbraw/zinc/43/24/90/384432490.db2.gz KAVJHANDXOXUAJ-YIZWMMSDSA-N 0 3 231.339 3.207 20 0 BGADHN CCc1ccc([C@@H](CO)NC2CC(CC)C2)cc1 ZINC000556587108 384432433 /nfs/dbraw/zinc/43/24/33/384432433.db2.gz UHUOYAPHQWSGGU-AVVWSFFYSA-N 0 3 247.382 3.061 20 0 BGADHN CCc1ccc([C@H](CO)NC2CC(CC)C2)cc1 ZINC000556587109 384432828 /nfs/dbraw/zinc/43/28/28/384432828.db2.gz UHUOYAPHQWSGGU-BCLQGDPASA-N 0 3 247.382 3.061 20 0 BGADHN CCCCC[C@H]1CCCN1Cc1cnccn1 ZINC000556773437 384477292 /nfs/dbraw/zinc/47/72/92/384477292.db2.gz MVAIGCZZJTWHTI-AWEZNQCLSA-N 0 3 233.359 3.021 20 0 BGADHN CCCCC[C@@H]1CCCN1Cc1cnccn1 ZINC000556773438 384477330 /nfs/dbraw/zinc/47/73/30/384477330.db2.gz MVAIGCZZJTWHTI-CQSZACIVSA-N 0 3 233.359 3.021 20 0 BGADHN C[C@@H]1CCCN(Cc2ccc3c(n2)CCC3)[C@@H]1C ZINC000556773609 384476311 /nfs/dbraw/zinc/47/63/11/384476311.db2.gz AGTVMCQQMVKHGW-CHWSQXEVSA-N 0 3 244.382 3.191 20 0 BGADHN C[C@@H]1CCCN(Cc2ccc3c(n2)CCC3)[C@H]1C ZINC000556773610 384478312 /nfs/dbraw/zinc/47/83/12/384478312.db2.gz AGTVMCQQMVKHGW-OLZOCXBDSA-N 0 3 244.382 3.191 20 0 BGADHN C[C@@H]1[C@@H](C)CCCN1Cc1ccc2c(n1)CCC2 ZINC000556773611 384476600 /nfs/dbraw/zinc/47/66/00/384476600.db2.gz AGTVMCQQMVKHGW-QWHCGFSZSA-N 0 3 244.382 3.191 20 0 BGADHN C[C@H]1CCCN(Cc2ccc3c(n2)CCC3)[C@H]1C ZINC000556773612 384478240 /nfs/dbraw/zinc/47/82/40/384478240.db2.gz AGTVMCQQMVKHGW-STQMWFEESA-N 0 3 244.382 3.191 20 0 BGADHN CC1CCC(N(Cc2cnccn2)C2CC2)CC1 ZINC000556773619 384476564 /nfs/dbraw/zinc/47/65/64/384476564.db2.gz AWJBKYSEXCYNNP-UHFFFAOYSA-N 0 3 245.370 3.020 20 0 BGADHN CCc1ccc(CN2C[C@@H]3C[C@H]2CS3)s1 ZINC000556782882 384480102 /nfs/dbraw/zinc/48/01/02/384480102.db2.gz XNILLRWDABOZSD-CABZTGNLSA-N 0 3 239.409 3.000 20 0 BGADHN CC(C)CC[C@H](NCc1cnccn1)C(C)(C)C ZINC000556784978 384481762 /nfs/dbraw/zinc/48/17/62/384481762.db2.gz IVHFONPVPSZEKE-AWEZNQCLSA-N 0 3 249.402 3.417 20 0 BGADHN CC(C)CC[C@@H](NCc1cnccn1)C(C)(C)C ZINC000556784984 322923764 /nfs/dbraw/zinc/92/37/64/322923764.db2.gz IVHFONPVPSZEKE-CQSZACIVSA-N 0 3 249.402 3.417 20 0 BGADHN CC(C)[C@H]1CCC[C@H](NCc2cnccn2)CC1 ZINC000556785144 384482156 /nfs/dbraw/zinc/48/21/56/384482156.db2.gz MZYBUIVIIGMVFB-KBPBESRZSA-N 0 3 247.386 3.171 20 0 BGADHN CC(C)[C@@H]1CCC[C@H](NCc2cnccn2)CC1 ZINC000556785145 384481081 /nfs/dbraw/zinc/48/10/81/384481081.db2.gz MZYBUIVIIGMVFB-KGLIPLIRSA-N 0 3 247.386 3.171 20 0 BGADHN CC(C)[C@H]1CCC[C@@H](NCc2cnccn2)CC1 ZINC000556785146 384480899 /nfs/dbraw/zinc/48/08/99/384480899.db2.gz MZYBUIVIIGMVFB-UONOGXRCSA-N 0 3 247.386 3.171 20 0 BGADHN CC(C)[C@@H]1CCC[C@@H](NCc2cnccn2)CC1 ZINC000556785147 384481588 /nfs/dbraw/zinc/48/15/88/384481588.db2.gz MZYBUIVIIGMVFB-ZIAGYGMSSA-N 0 3 247.386 3.171 20 0 BGADHN Cc1ccc2c(c1)[C@@H](NC1CC3(CCC3)C1)CO2 ZINC000556785314 384480977 /nfs/dbraw/zinc/48/09/77/384480977.db2.gz SQDKMQOCKWPRBA-AWEZNQCLSA-N 0 3 243.350 3.351 20 0 BGADHN Cc1ccc2c(c1)[C@H](NC1CC3(CCC3)C1)CO2 ZINC000556785318 322924262 /nfs/dbraw/zinc/92/42/62/322924262.db2.gz SQDKMQOCKWPRBA-CQSZACIVSA-N 0 3 243.350 3.351 20 0 BGADHN CC(C)(C)CCCNCc1cnc(C2CC2)nc1 ZINC000556785323 384479696 /nfs/dbraw/zinc/47/96/96/384479696.db2.gz UAPGCHKPJBZJJV-UHFFFAOYSA-N 0 3 247.386 3.270 20 0 BGADHN CC(C)(C)CN(Cc1cnccn1)CC(C)(C)C ZINC000556787399 384480853 /nfs/dbraw/zinc/48/08/53/384480853.db2.gz WWXBMPDCXWDNPE-UHFFFAOYSA-N 0 3 249.402 3.371 20 0 BGADHN CC1=CC[C@@H](NCc2ccccc2F)CC1 ZINC000556811838 384497510 /nfs/dbraw/zinc/49/75/10/384497510.db2.gz UJGJCMSUMFBCOO-CYBMUJFWSA-N 0 3 219.303 3.414 20 0 BGADHN CC1=CC[C@H](NCc2ccccc2F)CC1 ZINC000556811839 384497901 /nfs/dbraw/zinc/49/79/01/384497901.db2.gz UJGJCMSUMFBCOO-ZDUSSCGKSA-N 0 3 219.303 3.414 20 0 BGADHN C[C@@H](F)CCN1CCc2cccc(F)c2[C@H]1C ZINC000556814886 384505561 /nfs/dbraw/zinc/50/55/61/384505561.db2.gz SIYWTQPOPWSYIP-GHMZBOCLSA-N 0 3 239.309 3.493 20 0 BGADHN C[C@@H](F)CCN1CCc2cccc(F)c2[C@@H]1C ZINC000556814887 384505915 /nfs/dbraw/zinc/50/59/15/384505915.db2.gz SIYWTQPOPWSYIP-MNOVXSKESA-N 0 3 239.309 3.493 20 0 BGADHN C[C@H](F)CCN1CCc2cccc(F)c2[C@@H]1C ZINC000556814888 384505691 /nfs/dbraw/zinc/50/56/91/384505691.db2.gz SIYWTQPOPWSYIP-QWRGUYRKSA-N 0 3 239.309 3.493 20 0 BGADHN C[C@H](F)CCN1CCc2cccc(F)c2[C@H]1C ZINC000556814889 384505330 /nfs/dbraw/zinc/50/53/30/384505330.db2.gz SIYWTQPOPWSYIP-WDEREUQCSA-N 0 3 239.309 3.493 20 0 BGADHN CC1=CC[C@H](N[C@@H]2COc3ccc(F)cc32)CC1 ZINC000556839439 322928455 /nfs/dbraw/zinc/92/84/55/322928455.db2.gz XIQQLOQWVUHPAH-GXTWGEPZSA-N 0 3 247.313 3.348 20 0 BGADHN CC1=CC[C@H](N[C@H]2COc3ccc(F)cc32)CC1 ZINC000556839442 384519467 /nfs/dbraw/zinc/51/94/67/384519467.db2.gz XIQQLOQWVUHPAH-JSGCOSHPSA-N 0 3 247.313 3.348 20 0 BGADHN CC1=CC[C@@H](N[C@H]2COc3ccc(F)cc32)CC1 ZINC000556839443 384517764 /nfs/dbraw/zinc/51/77/64/384517764.db2.gz XIQQLOQWVUHPAH-OCCSQVGLSA-N 0 3 247.313 3.348 20 0 BGADHN CC1=CC[C@@H](N[C@@H]2COc3ccc(F)cc32)CC1 ZINC000556839452 384519048 /nfs/dbraw/zinc/51/90/48/384519048.db2.gz XIQQLOQWVUHPAH-TZMCWYRMSA-N 0 3 247.313 3.348 20 0 BGADHN Cc1ccc(CCN[C@H](C)c2cc(C)ccn2)o1 ZINC000556866163 384552659 /nfs/dbraw/zinc/55/26/59/384552659.db2.gz YRUKQIAGZWUHPM-CYBMUJFWSA-N 0 3 244.338 3.185 20 0 BGADHN Cc1ccc(CCN[C@@H](C)c2cc(C)ccn2)o1 ZINC000556866164 384553845 /nfs/dbraw/zinc/55/38/45/384553845.db2.gz YRUKQIAGZWUHPM-ZDUSSCGKSA-N 0 3 244.338 3.185 20 0 BGADHN CC(C)[C@@H]1CC[C@H]1NCc1cc(F)ccc1F ZINC000556871298 322929791 /nfs/dbraw/zinc/92/97/91/322929791.db2.gz KYOGTYNYKIUWSD-GXTWGEPZSA-N 0 3 239.309 3.489 20 0 BGADHN CC(C)[C@@H]1CC[C@@H]1NCc1cc(F)ccc1F ZINC000556871315 384565230 /nfs/dbraw/zinc/56/52/30/384565230.db2.gz KYOGTYNYKIUWSD-JSGCOSHPSA-N 0 3 239.309 3.489 20 0 BGADHN CC(C)[C@H]1CC[C@@H]1NCc1cc(F)ccc1F ZINC000556871316 384564176 /nfs/dbraw/zinc/56/41/76/384564176.db2.gz KYOGTYNYKIUWSD-OCCSQVGLSA-N 0 3 239.309 3.489 20 0 BGADHN CC(C)[C@H]1CC[C@H]1NCc1cc(F)ccc1F ZINC000556871318 384565488 /nfs/dbraw/zinc/56/54/88/384565488.db2.gz KYOGTYNYKIUWSD-TZMCWYRMSA-N 0 3 239.309 3.489 20 0 BGADHN FC1(CN2CCC[C@H](c3ccccc3)C2)CC1 ZINC000556884845 384601244 /nfs/dbraw/zinc/60/12/44/384601244.db2.gz QYEHPDYXIXINAM-AWEZNQCLSA-N 0 3 233.330 3.368 20 0 BGADHN FC1(CN2CCC[C@@H](c3ccccc3)C2)CC1 ZINC000556884848 384602729 /nfs/dbraw/zinc/60/27/29/384602729.db2.gz QYEHPDYXIXINAM-CQSZACIVSA-N 0 3 233.330 3.368 20 0 BGADHN CCc1ccc(CN2CCC23CCC3)s1 ZINC000556887982 384598665 /nfs/dbraw/zinc/59/86/65/384598665.db2.gz RUWCPSCICRLKBZ-UHFFFAOYSA-N 0 3 221.369 3.439 20 0 BGADHN CCOc1ccc(CN2CCC2(C)C)cc1 ZINC000556888009 384597368 /nfs/dbraw/zinc/59/73/68/384597368.db2.gz TUYHPTJXIIXLKC-UHFFFAOYSA-N 0 3 219.328 3.070 20 0 BGADHN CC[C@H](NC1(COC)CC1)c1cccc(C)c1 ZINC000556895174 384617614 /nfs/dbraw/zinc/61/76/14/384617614.db2.gz IZTLNBNYSKFZEJ-AWEZNQCLSA-N 0 3 233.355 3.215 20 0 BGADHN CC[C@@H](NC1(COC)CC1)c1cccc(C)c1 ZINC000556895175 322930612 /nfs/dbraw/zinc/93/06/12/322930612.db2.gz IZTLNBNYSKFZEJ-CQSZACIVSA-N 0 3 233.355 3.215 20 0 BGADHN C[C@H]1CN(CCC2CCCCCC2)CCO1 ZINC000556940701 384667949 /nfs/dbraw/zinc/66/79/49/384667949.db2.gz FIGOHLZCRXQALK-ZDUSSCGKSA-N 0 3 225.376 3.068 20 0 BGADHN CC(C)(C)[C@@H]1C[C@@H](N[C@@H]2CCC[C@@H]2F)CS1 ZINC000556967578 322932462 /nfs/dbraw/zinc/93/24/62/322932462.db2.gz MDCAGQPZJNYRMN-KXNHARMFSA-N 0 3 245.407 3.387 20 0 BGADHN CC(C)(C)[C@H]1C[C@H](N[C@@H]2CCC[C@@H]2F)CS1 ZINC000556967579 384711205 /nfs/dbraw/zinc/71/12/05/384711205.db2.gz MDCAGQPZJNYRMN-NNYUYHANSA-N 0 3 245.407 3.387 20 0 BGADHN CC(C)(C)[C@H]1C[C@@H](N[C@@H]2CCC[C@@H]2F)CS1 ZINC000556967580 322932587 /nfs/dbraw/zinc/93/25/87/322932587.db2.gz MDCAGQPZJNYRMN-WRWGMCAJSA-N 0 3 245.407 3.387 20 0 BGADHN CC(C)(C)[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]2F)CS1 ZINC000556967581 322932585 /nfs/dbraw/zinc/93/25/85/322932585.db2.gz MDCAGQPZJNYRMN-YFKTTZPYSA-N 0 3 245.407 3.387 20 0 BGADHN CCc1ncc(CN2CC[C@@H](C(C)C)C2)s1 ZINC000557006055 384746260 /nfs/dbraw/zinc/74/62/60/384746260.db2.gz HVFKELIZFXGXBA-LLVKDONJSA-N 0 3 238.400 3.183 20 0 BGADHN CCc1ncc(CN2CC[C@H](C(C)C)C2)s1 ZINC000557006059 384747496 /nfs/dbraw/zinc/74/74/96/384747496.db2.gz HVFKELIZFXGXBA-NSHDSACASA-N 0 3 238.400 3.183 20 0 BGADHN CC[C@@H](NCc1nc2ccccc2[nH]1)C(C)(C)C ZINC000557203845 384883887 /nfs/dbraw/zinc/88/38/87/384883887.db2.gz UQJZSLGWDFEATD-CYBMUJFWSA-N 0 3 245.370 3.477 20 0 BGADHN CC[C@H](NCc1nc2ccccc2[nH]1)C(C)(C)C ZINC000557203846 384882711 /nfs/dbraw/zinc/88/27/11/384882711.db2.gz UQJZSLGWDFEATD-ZDUSSCGKSA-N 0 3 245.370 3.477 20 0 BGADHN CN(Cc1cnn(C)c1)C[C@@H]1CCCC(C)(C)C1 ZINC000557385282 384923338 /nfs/dbraw/zinc/92/33/38/384923338.db2.gz FYLBWELVWNHRQP-CYBMUJFWSA-N 0 3 249.402 3.068 20 0 BGADHN CN(Cc1cnn(C)c1)C[C@H]1CCCC(C)(C)C1 ZINC000557385283 384923031 /nfs/dbraw/zinc/92/30/31/384923031.db2.gz FYLBWELVWNHRQP-ZDUSSCGKSA-N 0 3 249.402 3.068 20 0 BGADHN CC(C)[C@@H]1CC[C@H]1NCc1ccc(F)cc1F ZINC000557392797 322937030 /nfs/dbraw/zinc/93/70/30/322937030.db2.gz GKFDOQSCWKTOBV-GXTWGEPZSA-N 0 3 239.309 3.489 20 0 BGADHN CC(C)[C@@H]1CC[C@@H]1NCc1ccc(F)cc1F ZINC000557392798 322936979 /nfs/dbraw/zinc/93/69/79/322936979.db2.gz GKFDOQSCWKTOBV-JSGCOSHPSA-N 0 3 239.309 3.489 20 0 BGADHN CC(C)[C@H]1CC[C@@H]1NCc1ccc(F)cc1F ZINC000557392799 322936968 /nfs/dbraw/zinc/93/69/68/322936968.db2.gz GKFDOQSCWKTOBV-OCCSQVGLSA-N 0 3 239.309 3.489 20 0 BGADHN CC(C)[C@H]1CC[C@H]1NCc1ccc(F)cc1F ZINC000557392800 322937027 /nfs/dbraw/zinc/93/70/27/322937027.db2.gz GKFDOQSCWKTOBV-TZMCWYRMSA-N 0 3 239.309 3.489 20 0 BGADHN C[C@@H](N[C@H]1C[C@@H]1C(F)F)c1ccc(F)c(F)c1 ZINC000557446389 384945812 /nfs/dbraw/zinc/94/58/12/384945812.db2.gz NMHLMTVAVHTNFL-ZYAQMDEOSA-N 0 3 247.235 3.269 20 0 BGADHN Cc1cc([C@H](C)NCC(C2CC2)C2CC2)no1 ZINC000557528954 322938812 /nfs/dbraw/zinc/93/88/12/322938812.db2.gz FZXWLNZLXUTMIC-JTQLQIEISA-N 0 3 234.343 3.070 20 0 BGADHN Cc1cc([C@@H](C)NCC(C2CC2)C2CC2)no1 ZINC000557528955 322938755 /nfs/dbraw/zinc/93/87/55/322938755.db2.gz FZXWLNZLXUTMIC-SNVBAGLBSA-N 0 3 234.343 3.070 20 0 BGADHN CC(C)n1ccc(CN[C@H]2CC[C@@H]2C2CCC2)n1 ZINC000557689750 385091358 /nfs/dbraw/zinc/09/13/58/385091358.db2.gz CMBFAHOAUNAQND-CABCVRRESA-N 0 3 247.386 3.132 20 0 BGADHN CC(C)n1ccc(CN[C@H]2CC[C@H]2C2CCC2)n1 ZINC000557689751 322941369 /nfs/dbraw/zinc/94/13/69/322941369.db2.gz CMBFAHOAUNAQND-GJZGRUSLSA-N 0 3 247.386 3.132 20 0 BGADHN CC(C)n1ccc(CN[C@@H]2CC[C@@H]2C2CCC2)n1 ZINC000557689752 385092563 /nfs/dbraw/zinc/09/25/63/385092563.db2.gz CMBFAHOAUNAQND-HUUCEWRRSA-N 0 3 247.386 3.132 20 0 BGADHN CC(C)n1ccc(CN[C@@H]2CC[C@H]2C2CCC2)n1 ZINC000557689753 322941327 /nfs/dbraw/zinc/94/13/27/322941327.db2.gz CMBFAHOAUNAQND-LSDHHAIUSA-N 0 3 247.386 3.132 20 0 BGADHN Cc1ccc2nccc(N[C@H]3CC[C@@H]3C)c2c1 ZINC000557728324 385102328 /nfs/dbraw/zinc/10/23/28/385102328.db2.gz AKIDTUBDTHDJSX-AAEUAGOBSA-N 0 3 226.323 3.176 20 0 BGADHN Cc1ccc2nccc(N[C@@H]3CC[C@H]3C)c2c1 ZINC000557728326 385103705 /nfs/dbraw/zinc/10/37/05/385103705.db2.gz AKIDTUBDTHDJSX-DGCLKSJQSA-N 0 3 226.323 3.176 20 0 BGADHN Cc1ccc2nccc(N[C@@H]3CC[C@@H]3C)c2c1 ZINC000557728327 385103482 /nfs/dbraw/zinc/10/34/82/385103482.db2.gz AKIDTUBDTHDJSX-WCQYABFASA-N 0 3 226.323 3.176 20 0 BGADHN Cc1ccc2nccc(N[C@H]3CC[C@H]3C)c2c1 ZINC000557728329 322941586 /nfs/dbraw/zinc/94/15/86/322941586.db2.gz AKIDTUBDTHDJSX-YPMHNXCESA-N 0 3 226.323 3.176 20 0 BGADHN CS[C@@H]1CC[C@@H]1NCc1cc2ccccc2o1 ZINC000557857213 322943735 /nfs/dbraw/zinc/94/37/35/322943735.db2.gz KPWBQPUUFNHWKK-GXTWGEPZSA-N 0 3 247.363 3.416 20 0 BGADHN CS[C@H]1CC[C@@H]1NCc1cc2ccccc2o1 ZINC000557857223 385221203 /nfs/dbraw/zinc/22/12/03/385221203.db2.gz KPWBQPUUFNHWKK-JSGCOSHPSA-N 0 3 247.363 3.416 20 0 BGADHN CS[C@H]1CC[C@H]1NCc1cc2ccccc2o1 ZINC000557857224 322943770 /nfs/dbraw/zinc/94/37/70/322943770.db2.gz KPWBQPUUFNHWKK-OCCSQVGLSA-N 0 3 247.363 3.416 20 0 BGADHN CS[C@@H]1CC[C@H]1NCc1cc2ccccc2o1 ZINC000557857226 385221172 /nfs/dbraw/zinc/22/11/72/385221172.db2.gz KPWBQPUUFNHWKK-TZMCWYRMSA-N 0 3 247.363 3.416 20 0 BGADHN Cc1ccc2nccc(N[C@H]3CC[C@@H](F)C3)c2c1 ZINC000558028262 385287710 /nfs/dbraw/zinc/28/77/10/385287710.db2.gz CCXALOKTNNRPID-NEPJUHHUSA-N 0 3 244.313 3.268 20 0 BGADHN Cc1ccc2nccc(N[C@@H]3CC[C@H](F)C3)c2c1 ZINC000558028263 322945385 /nfs/dbraw/zinc/94/53/85/322945385.db2.gz CCXALOKTNNRPID-NWDGAFQWSA-N 0 3 244.313 3.268 20 0 BGADHN Cc1ccc2nccc(N[C@H]3CC[C@H](F)C3)c2c1 ZINC000558028264 322945503 /nfs/dbraw/zinc/94/55/03/322945503.db2.gz CCXALOKTNNRPID-RYUDHWBXSA-N 0 3 244.313 3.268 20 0 BGADHN Cc1ccc2nccc(N[C@@H]3CC[C@@H](F)C3)c2c1 ZINC000558028265 322945395 /nfs/dbraw/zinc/94/53/95/322945395.db2.gz CCXALOKTNNRPID-VXGBXAGGSA-N 0 3 244.313 3.268 20 0 BGADHN CCOc1ncccc1CNC1CCC(C)CC1 ZINC000558158324 383822723 /nfs/dbraw/zinc/82/27/23/383822723.db2.gz RKAAFYQFKDZULN-UHFFFAOYSA-N 0 3 248.370 3.149 20 0 BGADHN CC(C)=CCN1CCc2cccc(C)c2C1 ZINC000558164012 383821536 /nfs/dbraw/zinc/82/15/36/383821536.db2.gz CEIHHVALHXNSQK-UHFFFAOYSA-N 0 3 215.340 3.319 20 0 BGADHN C[C@@H]1C[C@@H](C(C)(C)C)CCN1Cc1ccno1 ZINC000558179531 383833425 /nfs/dbraw/zinc/83/34/25/383833425.db2.gz CYRZGFZNDKABCP-NEPJUHHUSA-N 0 3 236.359 3.321 20 0 BGADHN C[C@H]1C[C@H](C(C)(C)C)CCN1Cc1ccno1 ZINC000558179532 383833385 /nfs/dbraw/zinc/83/33/85/383833385.db2.gz CYRZGFZNDKABCP-NWDGAFQWSA-N 0 3 236.359 3.321 20 0 BGADHN C[C@H]1C[C@@H](C(C)(C)C)CCN1Cc1ccno1 ZINC000558179533 383832241 /nfs/dbraw/zinc/83/22/41/383832241.db2.gz CYRZGFZNDKABCP-RYUDHWBXSA-N 0 3 236.359 3.321 20 0 BGADHN C[C@@H]1C[C@H](C(C)(C)C)CCN1Cc1ccno1 ZINC000558179534 383832588 /nfs/dbraw/zinc/83/25/88/383832588.db2.gz CYRZGFZNDKABCP-VXGBXAGGSA-N 0 3 236.359 3.321 20 0 BGADHN CC[C@@H]1CC[C@H]1N[C@H]1COc2ccc(C)cc21 ZINC000558251979 383873913 /nfs/dbraw/zinc/87/39/13/383873913.db2.gz CFKDMDFLHWNIDA-BNOWGMLFSA-N 0 3 231.339 3.207 20 0 BGADHN CC[C@@H]1CC[C@@H]1N[C@@H]1COc2ccc(C)cc21 ZINC000558251980 383874104 /nfs/dbraw/zinc/87/41/04/383874104.db2.gz CFKDMDFLHWNIDA-KWCYVHTRSA-N 0 3 231.339 3.207 20 0 BGADHN CC[C@@H]1CC[C@H]1N[C@@H]1COc2ccc(C)cc21 ZINC000558251981 383873928 /nfs/dbraw/zinc/87/39/28/383873928.db2.gz CFKDMDFLHWNIDA-MRVWCRGKSA-N 0 3 231.339 3.207 20 0 BGADHN CC[C@@H]1CC[C@@H]1N[C@H]1COc2ccc(C)cc21 ZINC000558251982 322947959 /nfs/dbraw/zinc/94/79/59/322947959.db2.gz CFKDMDFLHWNIDA-XBFCOCLRSA-N 0 3 231.339 3.207 20 0 BGADHN Cc1ccc2c(c1)[C@@H](N[C@H]1C[C@@H]1C(F)F)CC2 ZINC000558253122 383880754 /nfs/dbraw/zinc/88/07/54/383880754.db2.gz VMIIZWLLZIWGFS-AVGNSLFASA-N 0 3 237.293 3.226 20 0 BGADHN Cc1ccc2c(c1)[C@H](N[C@H]1C[C@@H]1C(F)F)CC2 ZINC000558253123 383880998 /nfs/dbraw/zinc/88/09/98/383880998.db2.gz VMIIZWLLZIWGFS-XQQFMLRXSA-N 0 3 237.293 3.226 20 0 BGADHN CCc1cccnc1[C@H](C)N[C@H]1CCC1(C)C ZINC000558254491 383884245 /nfs/dbraw/zinc/88/42/45/383884245.db2.gz HLRVLPKLFBMEDI-AAEUAGOBSA-N 0 3 232.371 3.483 20 0 BGADHN CCc1cccnc1[C@@H](C)N[C@@H]1CCC1(C)C ZINC000558254500 383884402 /nfs/dbraw/zinc/88/44/02/383884402.db2.gz HLRVLPKLFBMEDI-DGCLKSJQSA-N 0 3 232.371 3.483 20 0 BGADHN CCc1cccnc1[C@H](C)N[C@@H]1CCC1(C)C ZINC000558254501 383883682 /nfs/dbraw/zinc/88/36/82/383883682.db2.gz HLRVLPKLFBMEDI-WCQYABFASA-N 0 3 232.371 3.483 20 0 BGADHN CCc1cccnc1[C@@H](C)N[C@H]1CCC1(C)C ZINC000558254503 322948173 /nfs/dbraw/zinc/94/81/73/322948173.db2.gz HLRVLPKLFBMEDI-YPMHNXCESA-N 0 3 232.371 3.483 20 0 BGADHN CC[C@@H]1CC[C@@H]1N[C@@H]1c2ccc(F)cc2O[C@H]1C ZINC000558254840 383878252 /nfs/dbraw/zinc/87/82/52/383878252.db2.gz CVHXWWSXLPAKLN-FJHTZYQYSA-N 0 3 249.329 3.426 20 0 BGADHN CC[C@@H]1CC[C@@H]1N[C@H]1c2ccc(F)cc2O[C@H]1C ZINC000558254843 383876619 /nfs/dbraw/zinc/87/66/19/383876619.db2.gz CVHXWWSXLPAKLN-FMRSBHEDSA-N 0 3 249.329 3.426 20 0 BGADHN CC[C@@H]1CC[C@@H]1N[C@H]1c2ccc(F)cc2O[C@@H]1C ZINC000558254846 383878020 /nfs/dbraw/zinc/87/80/20/383878020.db2.gz CVHXWWSXLPAKLN-FRWLMAKKSA-N 0 3 249.329 3.426 20 0 BGADHN CC[C@@H]1CC[C@@H]1N[C@@H]1c2ccc(F)cc2O[C@@H]1C ZINC000558254849 383878273 /nfs/dbraw/zinc/87/82/73/383878273.db2.gz CVHXWWSXLPAKLN-NRWDQBFYSA-N 0 3 249.329 3.426 20 0 BGADHN FC(F)[C@H]1C[C@@H]1N[C@@H](c1ccccc1)C1CC1 ZINC000558257725 383890032 /nfs/dbraw/zinc/89/00/32/383890032.db2.gz SYMMDWQYVDWJQA-AVGNSLFASA-N 0 3 237.293 3.381 20 0 BGADHN FC(F)[C@H]1C[C@@H]1N[C@H](c1ccccc1)C1CC1 ZINC000558257732 383890108 /nfs/dbraw/zinc/89/01/08/383890108.db2.gz SYMMDWQYVDWJQA-RWMBFGLXSA-N 0 3 237.293 3.381 20 0 BGADHN COC[C@H](NC1CC(C(C)C)C1)c1ccccc1 ZINC000558258032 383888393 /nfs/dbraw/zinc/88/83/93/383888393.db2.gz OGIUMOGZJXHYNR-GPANFISMSA-N 0 3 247.382 3.398 20 0 BGADHN COC[C@@H](NC1CC(C(C)C)C1)c1ccccc1 ZINC000558258033 383888905 /nfs/dbraw/zinc/88/89/05/383888905.db2.gz OGIUMOGZJXHYNR-UYSNPLJNSA-N 0 3 247.382 3.398 20 0 BGADHN CC[C@H]1CC[C@@H]1N[C@H]1CCOc2c(F)cccc21 ZINC000558260864 383892950 /nfs/dbraw/zinc/89/29/50/383892950.db2.gz XNQQENODIKIWEB-BPNCWPANSA-N 0 3 249.329 3.428 20 0 BGADHN CC[C@H]1CC[C@H]1N[C@H]1CCOc2c(F)cccc21 ZINC000558260868 383891841 /nfs/dbraw/zinc/89/18/41/383891841.db2.gz XNQQENODIKIWEB-GDLCADMTSA-N 0 3 249.329 3.428 20 0 BGADHN CCCCN(CC)Cc1ccc(Cl)cn1 ZINC000558404209 383989562 /nfs/dbraw/zinc/98/95/62/383989562.db2.gz LOOUCTHPARVJAE-UHFFFAOYSA-N 0 3 226.751 3.357 20 0 BGADHN CC(C)N(Cc1ccc(Cl)cn1)C1CC1 ZINC000558407818 383994739 /nfs/dbraw/zinc/99/47/39/383994739.db2.gz DMSYHMTVSXYOMD-UHFFFAOYSA-N 0 3 224.735 3.108 20 0 BGADHN CCCCN(Cc1ccc(Cl)cn1)C1CC1 ZINC000558408436 383988855 /nfs/dbraw/zinc/98/88/55/383988855.db2.gz KOWCMJSGVQGOHT-UHFFFAOYSA-N 0 3 238.762 3.500 20 0 BGADHN C[C@@H]1C[C@@H](C)N1C/C=C\c1ccc(F)c(F)c1 ZINC000558408582 383989344 /nfs/dbraw/zinc/98/93/44/383989344.db2.gz JDHPORBMAGZMRY-ANDSXOESSA-N 0 3 237.293 3.461 20 0 BGADHN C[C@@H]1C[C@H](C)N1C/C=C/c1ccc(F)c(F)c1 ZINC000558408583 383990595 /nfs/dbraw/zinc/99/05/95/383990595.db2.gz JDHPORBMAGZMRY-VMDCKITASA-N 0 3 237.293 3.461 20 0 BGADHN C[C@@H]1C[C@H](C)N1C/C=C\c1ccc(F)c(F)c1 ZINC000558408584 383991416 /nfs/dbraw/zinc/99/14/16/383991416.db2.gz JDHPORBMAGZMRY-XCPMARJRSA-N 0 3 237.293 3.461 20 0 BGADHN C[C@@H]1C[C@@H](C)N1C/C=C/c1ccc(F)c(F)c1 ZINC000558408585 383990690 /nfs/dbraw/zinc/99/06/90/383990690.db2.gz JDHPORBMAGZMRY-YIZUVKHSSA-N 0 3 237.293 3.461 20 0 BGADHN Cc1cc(CN2CC(C)=C[C@@H](C)C2)cc(C)c1O ZINC000558409275 383990730 /nfs/dbraw/zinc/99/07/30/383990730.db2.gz QRFDUVLJRYSSLZ-LLVKDONJSA-N 0 3 245.366 3.407 20 0 BGADHN Cc1cc(CN2CC(C)=C[C@H](C)C2)cc(C)c1O ZINC000558409276 383989171 /nfs/dbraw/zinc/98/91/71/383989171.db2.gz QRFDUVLJRYSSLZ-NSHDSACASA-N 0 3 245.366 3.407 20 0 BGADHN CC(C)N(Cc1ccc(Cl)cn1)CC1CC1 ZINC000558410353 383994693 /nfs/dbraw/zinc/99/46/93/383994693.db2.gz RYUWEYOGZQDBNE-UHFFFAOYSA-N 0 3 238.762 3.355 20 0 BGADHN CC[C@@H](CSC)N(C)Cc1cccs1 ZINC000558423506 383995901 /nfs/dbraw/zinc/99/59/01/383995901.db2.gz LWQMIACMGXAHCD-JTQLQIEISA-N 0 3 229.414 3.322 20 0 BGADHN CC[C@H](CSC)N(C)Cc1cccs1 ZINC000558423507 383997800 /nfs/dbraw/zinc/99/78/00/383997800.db2.gz LWQMIACMGXAHCD-SNVBAGLBSA-N 0 3 229.414 3.322 20 0 BGADHN C[C@@H]1Oc2ccccc2[C@@H]1N[C@H]1CC[C@@H]1C1CC1 ZINC000558423536 383998066 /nfs/dbraw/zinc/99/80/66/383998066.db2.gz MCYXWGOXKLNDKM-NYDIPFLSSA-N 0 3 243.350 3.287 20 0 BGADHN C[C@@H]1Oc2ccccc2[C@@H]1N[C@@H]1CC[C@H]1C1CC1 ZINC000558423537 383998295 /nfs/dbraw/zinc/99/82/95/383998295.db2.gz MCYXWGOXKLNDKM-PNEXNCLXSA-N 0 3 243.350 3.287 20 0 BGADHN C[C@@H]1Oc2ccccc2[C@@H]1N[C@@H]1CC[C@@H]1C1CC1 ZINC000558423538 383997769 /nfs/dbraw/zinc/99/77/69/383997769.db2.gz MCYXWGOXKLNDKM-UOJODKQESA-N 0 3 243.350 3.287 20 0 BGADHN C[C@@H]1Oc2ccccc2[C@@H]1N[C@H]1CC[C@H]1C1CC1 ZINC000558423539 383996491 /nfs/dbraw/zinc/99/64/91/383996491.db2.gz MCYXWGOXKLNDKM-YLUJIRGKSA-N 0 3 243.350 3.287 20 0 BGADHN CC(C)=CCN[C@@H](c1ccccc1)C(C)(C)CO ZINC000558482699 384032362 /nfs/dbraw/zinc/03/23/62/384032362.db2.gz HPXVEUJNCVEPRE-HNNXBMFYSA-N 0 3 247.382 3.302 20 0 BGADHN CC(C)=CCN[C@H](c1ccccc1)C(C)(C)CO ZINC000558482700 384031136 /nfs/dbraw/zinc/03/11/36/384031136.db2.gz HPXVEUJNCVEPRE-OAHLLOKOSA-N 0 3 247.382 3.302 20 0 BGADHN CC1=C[C@H](C)C[C@@H](CN2CCOCC23CCC3)C1 ZINC000558566781 384188720 /nfs/dbraw/zinc/18/87/20/384188720.db2.gz LUZDNUYDONDNOD-DZGCQCFKSA-N 0 3 249.398 3.234 20 0 BGADHN CC1=C[C@@H](C)C[C@H](CN2CCOCC23CCC3)C1 ZINC000558566788 384188807 /nfs/dbraw/zinc/18/88/07/384188807.db2.gz LUZDNUYDONDNOD-HIFRSBDPSA-N 0 3 249.398 3.234 20 0 BGADHN CC1=C[C@@H](C)C[C@@H](CN2CCOCC23CCC3)C1 ZINC000558566789 384187745 /nfs/dbraw/zinc/18/77/45/384187745.db2.gz LUZDNUYDONDNOD-UKRRQHHQSA-N 0 3 249.398 3.234 20 0 BGADHN CC1=C[C@H](C)C[C@H](CN2CCOCC23CCC3)C1 ZINC000558566790 384187699 /nfs/dbraw/zinc/18/76/99/384187699.db2.gz LUZDNUYDONDNOD-ZFWWWQNUSA-N 0 3 249.398 3.234 20 0 BGADHN COC[C@H](N[C@@H](C)c1cc(C)c(C)o1)C(C)C ZINC000558618877 398174531 /nfs/dbraw/zinc/17/45/31/398174531.db2.gz VFLTXMGDLVLZKF-AAEUAGOBSA-N 0 3 239.359 3.218 20 0 BGADHN COC[C@@H](N[C@H](C)c1cc(C)c(C)o1)C(C)C ZINC000558618881 322952367 /nfs/dbraw/zinc/95/23/67/322952367.db2.gz VFLTXMGDLVLZKF-DGCLKSJQSA-N 0 3 239.359 3.218 20 0 BGADHN COC[C@@H](N[C@@H](C)c1cc(C)c(C)o1)C(C)C ZINC000558618882 398174674 /nfs/dbraw/zinc/17/46/74/398174674.db2.gz VFLTXMGDLVLZKF-WCQYABFASA-N 0 3 239.359 3.218 20 0 BGADHN COC[C@H](N[C@H](C)c1cc(C)c(C)o1)C(C)C ZINC000558618883 322952513 /nfs/dbraw/zinc/95/25/13/322952513.db2.gz VFLTXMGDLVLZKF-YPMHNXCESA-N 0 3 239.359 3.218 20 0 BGADHN Cc1ccncc1CNCC(C)(C)C(F)(F)F ZINC000558680956 322953573 /nfs/dbraw/zinc/95/35/73/322953573.db2.gz NPDCANDZDILNCJ-UHFFFAOYSA-N 0 3 246.276 3.068 20 0 BGADHN Cc1ncccc1CNCC(C)(C)C(F)(F)F ZINC000558680979 322953560 /nfs/dbraw/zinc/95/35/60/322953560.db2.gz UTBVSELITINLML-UHFFFAOYSA-N 0 3 246.276 3.068 20 0 BGADHN CCC(CC)C(=O)Nc1ccccc1CN(C)C ZINC000558683519 322953630 /nfs/dbraw/zinc/95/36/30/322953630.db2.gz DEFOUQYKKYLSFX-UHFFFAOYSA-N 0 3 248.370 3.123 20 0 BGADHN CCc1noc(CC)c1CN[C@@H]1CCC[C@H]2C[C@H]21 ZINC000558698625 384249100 /nfs/dbraw/zinc/24/91/00/384249100.db2.gz RIHMBUGGMLCNCA-MISXGVKJSA-N 0 3 248.370 3.078 20 0 BGADHN CCc1noc(CC)c1CN[C@H]1CCC[C@H]2C[C@H]21 ZINC000558698626 384248904 /nfs/dbraw/zinc/24/89/04/384248904.db2.gz RIHMBUGGMLCNCA-WDMOLILDSA-N 0 3 248.370 3.078 20 0 BGADHN CN(CC1(F)CC1)[C@@H]1CCc2ccccc21 ZINC000558709402 487816294 /nfs/dbraw/zinc/81/62/94/487816294.db2.gz LVQQZGBWFLDTPP-CYBMUJFWSA-N 0 3 219.303 3.108 20 0 BGADHN CN(CC1(F)CC1)[C@H]1CCc2ccccc21 ZINC000558709403 410036974 /nfs/dbraw/zinc/03/69/74/410036974.db2.gz LVQQZGBWFLDTPP-ZDUSSCGKSA-N 0 3 219.303 3.108 20 0 BGADHN FC1(CN2CCC3(CCCC3)CC2)CC1 ZINC000558709818 410037090 /nfs/dbraw/zinc/03/70/90/410037090.db2.gz LLTPXNMUKICISS-UHFFFAOYSA-N 0 3 211.324 3.145 20 0 BGADHN CN(Cc1sccc1Cl)C1CCOCC1 ZINC000558832430 398218977 /nfs/dbraw/zinc/21/89/77/398218977.db2.gz AQQQALYEGQZMGE-UHFFFAOYSA-N 0 3 245.775 3.012 20 0 BGADHN CC1(CNCc2coc(-c3cccs3)n2)CC1 ZINC000558961620 322957200 /nfs/dbraw/zinc/95/72/00/322957200.db2.gz OCVBFXIQKZLODS-UHFFFAOYSA-N 0 3 248.351 3.293 20 0 BGADHN Cc1cc(N[C@H]2CCC[C@H]2F)c2ccccc2n1 ZINC000559011103 384478646 /nfs/dbraw/zinc/47/86/46/384478646.db2.gz PFDGUDMDHAAAFP-OCCSQVGLSA-N 0 3 244.313 3.268 20 0 BGADHN COc1ccc(CN2CC(C)C2)c2ccccc12 ZINC000559073303 398263956 /nfs/dbraw/zinc/26/39/56/398263956.db2.gz LWAZZAFMXIHFQA-UHFFFAOYSA-N 0 3 241.334 3.300 20 0 BGADHN CN(Cc1ccc(F)c(F)c1)CC1(C)CC1 ZINC000559117315 384573914 /nfs/dbraw/zinc/57/39/14/384573914.db2.gz BNOUSIMLTAFQQF-UHFFFAOYSA-N 0 3 225.282 3.197 20 0 BGADHN Cc1ccc(NCC2(C)CC2)c(CN(C)C)c1 ZINC000559117658 384571536 /nfs/dbraw/zinc/57/15/36/384571536.db2.gz UYYVVRVHPRYBEN-UHFFFAOYSA-N 0 3 232.371 3.269 20 0 BGADHN Cn1cc(C(C)(C)N[C@H]2C=CCCCCC2)cn1 ZINC000559151133 384606886 /nfs/dbraw/zinc/60/68/86/384606886.db2.gz PRMPWUXJWOREBU-AWEZNQCLSA-N 0 3 247.386 3.134 20 0 BGADHN Cn1cc(C(C)(C)N[C@@H]2C=CCCCCC2)cn1 ZINC000559151134 384607240 /nfs/dbraw/zinc/60/72/40/384607240.db2.gz PRMPWUXJWOREBU-CQSZACIVSA-N 0 3 247.386 3.134 20 0 BGADHN CC[C@@H](C)[C@@H](C)NCc1cc(OC)ccc1F ZINC000559249993 384888821 /nfs/dbraw/zinc/88/88/21/384888821.db2.gz UCRXIHFFMILEKI-GHMZBOCLSA-N 0 3 239.334 3.359 20 0 BGADHN CC[C@@H](C)[C@H](C)NCc1cc(OC)ccc1F ZINC000559249995 384889467 /nfs/dbraw/zinc/88/94/67/384889467.db2.gz UCRXIHFFMILEKI-MNOVXSKESA-N 0 3 239.334 3.359 20 0 BGADHN CC[C@H](C)[C@H](C)NCc1cc(OC)ccc1F ZINC000559249996 322960805 /nfs/dbraw/zinc/96/08/05/322960805.db2.gz UCRXIHFFMILEKI-QWRGUYRKSA-N 0 3 239.334 3.359 20 0 BGADHN CC[C@H](C)[C@@H](C)NCc1cc(OC)ccc1F ZINC000559249997 384889436 /nfs/dbraw/zinc/88/94/36/384889436.db2.gz UCRXIHFFMILEKI-WDEREUQCSA-N 0 3 239.334 3.359 20 0 BGADHN COc1ccc(F)cc1CN(C)CC(C)(C)C ZINC000559268079 384935554 /nfs/dbraw/zinc/93/55/54/384935554.db2.gz RQPVUTKPMHNNAC-UHFFFAOYSA-N 0 3 239.334 3.312 20 0 BGADHN C[C@H]1CC[C@H](N(C)Cc2ccc(Cl)cn2)C1 ZINC000559281740 384964284 /nfs/dbraw/zinc/96/42/84/384964284.db2.gz SQEFPNNQZWTDGG-GWCFXTLKSA-N 0 3 238.762 3.355 20 0 BGADHN C[C@H]1CC[C@@H](N(C)Cc2ccc(Cl)cn2)C1 ZINC000559281744 384965916 /nfs/dbraw/zinc/96/59/16/384965916.db2.gz SQEFPNNQZWTDGG-GXFFZTMASA-N 0 3 238.762 3.355 20 0 BGADHN C[C@@H]1CC[C@H](N(C)Cc2ccc(Cl)cn2)C1 ZINC000559281745 384965429 /nfs/dbraw/zinc/96/54/29/384965429.db2.gz SQEFPNNQZWTDGG-MFKMUULPSA-N 0 3 238.762 3.355 20 0 BGADHN C[C@@H]1CC[C@@H](N(C)Cc2ccc(Cl)cn2)C1 ZINC000559281746 384965000 /nfs/dbraw/zinc/96/50/00/384965000.db2.gz SQEFPNNQZWTDGG-ZWNOBZJWSA-N 0 3 238.762 3.355 20 0 BGADHN CCO[C@H]1C[C@H]1NCc1ccc(C2CCC2)cc1 ZINC000559300011 385007894 /nfs/dbraw/zinc/00/78/94/385007894.db2.gz JCQRUWIKLAQHQD-CVEARBPZSA-N 0 3 245.366 3.221 20 0 BGADHN CCO[C@H]1C[C@@H]1NCc1ccc(C2CCC2)cc1 ZINC000559300014 385006900 /nfs/dbraw/zinc/00/69/00/385006900.db2.gz JCQRUWIKLAQHQD-HOTGVXAUSA-N 0 3 245.366 3.221 20 0 BGADHN CCO[C@@H]1C[C@H]1NCc1ccc(C2CCC2)cc1 ZINC000559300016 385007535 /nfs/dbraw/zinc/00/75/35/385007535.db2.gz JCQRUWIKLAQHQD-HZPDHXFCSA-N 0 3 245.366 3.221 20 0 BGADHN CCO[C@@H]1C[C@@H]1NCc1ccc(C2CCC2)cc1 ZINC000559300018 385006692 /nfs/dbraw/zinc/00/66/92/385006692.db2.gz JCQRUWIKLAQHQD-JKSUJKDBSA-N 0 3 245.366 3.221 20 0 BGADHN C[C@@H]1CN(CCOC2CCCCCC2)[C@@H]1C ZINC000559349689 383891986 /nfs/dbraw/zinc/89/19/86/383891986.db2.gz JTSHRNCPQTVJJS-CHWSQXEVSA-N 0 3 225.376 3.066 20 0 BGADHN C[C@@H]1CN(CCOC2CCCCCC2)[C@H]1C ZINC000559349690 383890924 /nfs/dbraw/zinc/89/09/24/383890924.db2.gz JTSHRNCPQTVJJS-OLZOCXBDSA-N 0 3 225.376 3.066 20 0 BGADHN C[C@@H]1[C@@H](C)CN1CCOC1CCCCCC1 ZINC000559349691 383891487 /nfs/dbraw/zinc/89/14/87/383891487.db2.gz JTSHRNCPQTVJJS-QWHCGFSZSA-N 0 3 225.376 3.066 20 0 BGADHN C[C@H]1CN(CCOC2CCCCCC2)[C@H]1C ZINC000559349692 383891926 /nfs/dbraw/zinc/89/19/26/383891926.db2.gz JTSHRNCPQTVJJS-STQMWFEESA-N 0 3 225.376 3.066 20 0 BGADHN Cc1ccc(C)c(OCCN2C[C@H](C)[C@@H]2C)c1 ZINC000559349881 383900046 /nfs/dbraw/zinc/90/00/46/383900046.db2.gz RUWRJNBKKQQKLP-KBPBESRZSA-N 0 3 233.355 3.022 20 0 BGADHN Cc1ccc(C)c(OCCN2C[C@@H](C)[C@@H]2C)c1 ZINC000559349882 383898115 /nfs/dbraw/zinc/89/81/15/383898115.db2.gz RUWRJNBKKQQKLP-KGLIPLIRSA-N 0 3 233.355 3.022 20 0 BGADHN Cc1ccc(C)c(OCCN2C[C@H](C)[C@H]2C)c1 ZINC000559349883 383899600 /nfs/dbraw/zinc/89/96/00/383899600.db2.gz RUWRJNBKKQQKLP-UONOGXRCSA-N 0 3 233.355 3.022 20 0 BGADHN Cc1ccc(C)c(OCCN2C[C@@H](C)[C@H]2C)c1 ZINC000559349884 383897952 /nfs/dbraw/zinc/89/79/52/383897952.db2.gz RUWRJNBKKQQKLP-ZIAGYGMSSA-N 0 3 233.355 3.022 20 0 BGADHN C[C@@H]1CN(CCc2ccccc2Cl)[C@@H]1C ZINC000559350625 383919002 /nfs/dbraw/zinc/91/90/02/383919002.db2.gz POVCPECYIZBZMT-GHMZBOCLSA-N 0 3 223.747 3.223 20 0 BGADHN C[C@@H]1CN(CCc2ccccc2Cl)[C@H]1C ZINC000559350626 383918693 /nfs/dbraw/zinc/91/86/93/383918693.db2.gz POVCPECYIZBZMT-MNOVXSKESA-N 0 3 223.747 3.223 20 0 BGADHN C[C@H]1CN(CCc2ccccc2Cl)[C@H]1C ZINC000559350628 383919448 /nfs/dbraw/zinc/91/94/48/383919448.db2.gz POVCPECYIZBZMT-QWRGUYRKSA-N 0 3 223.747 3.223 20 0 BGADHN C[C@@H]1[C@@H](C)CN1CCc1ccccc1Cl ZINC000559350630 383919413 /nfs/dbraw/zinc/91/94/13/383919413.db2.gz POVCPECYIZBZMT-WDEREUQCSA-N 0 3 223.747 3.223 20 0 BGADHN Cc1cc(C)cc(OCCCN2C[C@@H](C)[C@@H]2C)c1 ZINC000559350709 383919957 /nfs/dbraw/zinc/91/99/57/383919957.db2.gz RMXPMNJAAPLXHT-CABCVRRESA-N 0 3 247.382 3.413 20 0 BGADHN Cc1cc(C)cc(OCCCN2C[C@H](C)[C@@H]2C)c1 ZINC000559350712 383921540 /nfs/dbraw/zinc/92/15/40/383921540.db2.gz RMXPMNJAAPLXHT-GJZGRUSLSA-N 0 3 247.382 3.413 20 0 BGADHN Cc1cc(C)cc(OCCCN2C[C@@H](C)[C@H]2C)c1 ZINC000559350713 383921418 /nfs/dbraw/zinc/92/14/18/383921418.db2.gz RMXPMNJAAPLXHT-HUUCEWRRSA-N 0 3 247.382 3.413 20 0 BGADHN Cc1cc(C)cc(OCCCN2C[C@H](C)[C@H]2C)c1 ZINC000559350714 383920139 /nfs/dbraw/zinc/92/01/39/383920139.db2.gz RMXPMNJAAPLXHT-LSDHHAIUSA-N 0 3 247.382 3.413 20 0 BGADHN Fc1ccc(/C=C/CN[C@@H]2CCC[C@@H]2F)cc1 ZINC000559357518 384155066 /nfs/dbraw/zinc/15/50/66/384155066.db2.gz DWFINFREMCOCHG-AZBIDPCXSA-N 0 3 237.293 3.319 20 0 BGADHN Fc1ccc(/C=C\CN[C@@H]2CCC[C@@H]2F)cc1 ZINC000559357522 384155193 /nfs/dbraw/zinc/15/51/93/384155193.db2.gz DWFINFREMCOCHG-KUHFFWNOSA-N 0 3 237.293 3.319 20 0 BGADHN Fc1ccc(/C=C/CN[C@H]2CCC[C@H]2F)cc1 ZINC000559357647 384166178 /nfs/dbraw/zinc/16/61/78/384166178.db2.gz DWFINFREMCOCHG-DHMVDLOISA-N 0 3 237.293 3.319 20 0 BGADHN Fc1ccc(/C=C\CN[C@H]2CCC[C@H]2F)cc1 ZINC000559357648 384166192 /nfs/dbraw/zinc/16/61/92/384166192.db2.gz DWFINFREMCOCHG-FGXVQYDJSA-N 0 3 237.293 3.319 20 0 BGADHN FC[C@H]1CCCN1[C@@H]1C=CCCCCC1 ZINC000559401128 384896903 /nfs/dbraw/zinc/89/69/03/384896903.db2.gz XLVSFTASUMCNLP-CHWSQXEVSA-N 0 3 211.324 3.309 20 0 BGADHN FC[C@@H]1CCCN1[C@@H]1C=CCCCCC1 ZINC000559401138 384896606 /nfs/dbraw/zinc/89/66/06/384896606.db2.gz XLVSFTASUMCNLP-OLZOCXBDSA-N 0 3 211.324 3.309 20 0 BGADHN FC[C@H]1CCCN1[C@H]1C=CCCCCC1 ZINC000559401139 384895227 /nfs/dbraw/zinc/89/52/27/384895227.db2.gz XLVSFTASUMCNLP-QWHCGFSZSA-N 0 3 211.324 3.309 20 0 BGADHN FC[C@@H]1CCCN1[C@H]1C=CCCCCC1 ZINC000559401141 384895533 /nfs/dbraw/zinc/89/55/33/384895533.db2.gz XLVSFTASUMCNLP-STQMWFEESA-N 0 3 211.324 3.309 20 0 BGADHN FC[C@@H]1CCCN1CCCCc1ccccc1 ZINC000559410726 384899487 /nfs/dbraw/zinc/89/94/87/384899487.db2.gz VMIXGNUCYAWKQO-HNNXBMFYSA-N 0 3 235.346 3.443 20 0 BGADHN FC[C@H]1CCCN1CCCCc1ccccc1 ZINC000559410727 384898894 /nfs/dbraw/zinc/89/88/94/384898894.db2.gz VMIXGNUCYAWKQO-OAHLLOKOSA-N 0 3 235.346 3.443 20 0 BGADHN CCCCN(CC)Cc1c(C)nsc1C ZINC000559640202 385096348 /nfs/dbraw/zinc/09/63/48/385096348.db2.gz PHOIRGHLDQWZRY-UHFFFAOYSA-N 0 3 226.389 3.382 20 0 BGADHN CCO[C@H]1C[C@H]1NCc1ccc(C(C)C)cc1 ZINC000559817079 322979951 /nfs/dbraw/zinc/97/99/51/322979951.db2.gz RZOMQGAOVRABSU-CABCVRRESA-N 0 3 233.355 3.077 20 0 BGADHN CCO[C@H]1C[C@@H]1NCc1ccc(C(C)C)cc1 ZINC000559817080 385186761 /nfs/dbraw/zinc/18/67/61/385186761.db2.gz RZOMQGAOVRABSU-GJZGRUSLSA-N 0 3 233.355 3.077 20 0 BGADHN CCO[C@@H]1C[C@H]1NCc1ccc(C(C)C)cc1 ZINC000559817081 385186639 /nfs/dbraw/zinc/18/66/39/385186639.db2.gz RZOMQGAOVRABSU-HUUCEWRRSA-N 0 3 233.355 3.077 20 0 BGADHN CCO[C@@H]1C[C@@H]1NCc1ccc(C(C)C)cc1 ZINC000559817082 385187556 /nfs/dbraw/zinc/18/75/56/385187556.db2.gz RZOMQGAOVRABSU-LSDHHAIUSA-N 0 3 233.355 3.077 20 0 BGADHN CCO[C@@H]1C[C@H]1N[C@H](C)c1cccc(C2CC2)c1 ZINC000559842107 385193712 /nfs/dbraw/zinc/19/37/12/385193712.db2.gz GSZRYRJOPZJRJT-HFBAOOFYSA-N 0 3 245.366 3.392 20 0 BGADHN CCO[C@@H]1C[C@H]1N[C@@H](C)c1cccc(C2CC2)c1 ZINC000559842108 385192459 /nfs/dbraw/zinc/19/24/59/385192459.db2.gz GSZRYRJOPZJRJT-IUIKQTSFSA-N 0 3 245.366 3.392 20 0 BGADHN CCO[C@@H]1C[C@@H]1N[C@@H](C)c1cccc(C2CC2)c1 ZINC000559842109 322980346 /nfs/dbraw/zinc/98/03/46/322980346.db2.gz GSZRYRJOPZJRJT-KNXALSJPSA-N 0 3 245.366 3.392 20 0 BGADHN CCO[C@@H]1C[C@@H]1N[C@H](C)c1cccc(C2CC2)c1 ZINC000559842110 385192818 /nfs/dbraw/zinc/19/28/18/385192818.db2.gz GSZRYRJOPZJRJT-XFBWCDHKSA-N 0 3 245.366 3.392 20 0 BGADHN CC[C@H](N[C@@H]1CC[C@@H](CC)CC1)c1ccn(C)n1 ZINC000559862575 385203560 /nfs/dbraw/zinc/20/35/60/385203560.db2.gz FGVOMSDNXUGBTO-IHRRRGAJSA-N 0 3 249.402 3.430 20 0 BGADHN CC[C@@H](N[C@@H]1CC[C@@H](CC)CC1)c1ccn(C)n1 ZINC000559862577 385202860 /nfs/dbraw/zinc/20/28/60/385202860.db2.gz FGVOMSDNXUGBTO-MGPQQGTHSA-N 0 3 249.402 3.430 20 0 BGADHN CC[C@H]1CC[C@H](N[C@@H](C)c2nccn2C)CC1 ZINC000559864371 385200651 /nfs/dbraw/zinc/20/06/51/385200651.db2.gz LOTKRBWPHBXYGY-AVGNSLFASA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@H]1CC[C@H](N[C@H](C)c2nccn2C)CC1 ZINC000559864373 322980465 /nfs/dbraw/zinc/98/04/65/322980465.db2.gz LOTKRBWPHBXYGY-JHJVBQTASA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@H](N[C@@H]1CC[C@@H](CC)CC1)c1nccn1C ZINC000559865830 385199500 /nfs/dbraw/zinc/19/95/00/385199500.db2.gz VTMZGHBAETZEDL-IHRRRGAJSA-N 0 3 249.402 3.430 20 0 BGADHN CC[C@@H](N[C@@H]1CC[C@@H](CC)CC1)c1nccn1C ZINC000559865831 385199406 /nfs/dbraw/zinc/19/94/06/385199406.db2.gz VTMZGHBAETZEDL-MGPQQGTHSA-N 0 3 249.402 3.430 20 0 BGADHN COc1cc(C)ccc1[C@H](C)NCC[C@@H](C)F ZINC000559891031 322980665 /nfs/dbraw/zinc/98/06/65/322980665.db2.gz LPDHVZPSXZPNOO-NEPJUHHUSA-N 0 3 239.334 3.402 20 0 BGADHN COc1cc(C)ccc1[C@@H](C)NCC[C@H](C)F ZINC000559891032 385218674 /nfs/dbraw/zinc/21/86/74/385218674.db2.gz LPDHVZPSXZPNOO-NWDGAFQWSA-N 0 3 239.334 3.402 20 0 BGADHN COc1cc(C)ccc1[C@H](C)NCC[C@H](C)F ZINC000559891033 322980739 /nfs/dbraw/zinc/98/07/39/322980739.db2.gz LPDHVZPSXZPNOO-RYUDHWBXSA-N 0 3 239.334 3.402 20 0 BGADHN COc1cc(C)ccc1[C@@H](C)NCC[C@@H](C)F ZINC000559891034 385217475 /nfs/dbraw/zinc/21/74/75/385217475.db2.gz LPDHVZPSXZPNOO-VXGBXAGGSA-N 0 3 239.334 3.402 20 0 BGADHN CCOc1ncccc1CN[C@H]1CC=C(C)CC1 ZINC000559894815 322980814 /nfs/dbraw/zinc/98/08/14/322980814.db2.gz NDCDVSULIOFZOQ-AWEZNQCLSA-N 0 3 246.354 3.069 20 0 BGADHN CCOc1ncccc1CN[C@@H]1CC=C(C)CC1 ZINC000559894816 322980795 /nfs/dbraw/zinc/98/07/95/322980795.db2.gz NDCDVSULIOFZOQ-CQSZACIVSA-N 0 3 246.354 3.069 20 0 BGADHN CC(C)=CCCN[C@H](C)c1cn2ccccc2n1 ZINC000559903985 322981037 /nfs/dbraw/zinc/98/10/37/322981037.db2.gz SBQOHKGDQJCUMC-CYBMUJFWSA-N 0 3 243.354 3.341 20 0 BGADHN CC(C)=CCCN[C@@H](C)c1cn2ccccc2n1 ZINC000559903987 370702063 /nfs/dbraw/zinc/70/20/63/370702063.db2.gz SBQOHKGDQJCUMC-ZDUSSCGKSA-N 0 3 243.354 3.341 20 0 BGADHN Oc1ccc2c(c1)[C@@H](N[C@H]1CCC[C@H]1F)CCC2 ZINC000559913174 344547420 /nfs/dbraw/zinc/54/74/20/344547420.db2.gz GEGLTLWKNNRQKL-ILXRZTDVSA-N 0 3 249.329 3.250 20 0 BGADHN COc1cccc([C@@H](C)N[C@H]2CCC[C@H]2F)c1 ZINC000559914514 344547801 /nfs/dbraw/zinc/54/78/01/344547801.db2.gz DSHOFFSFHIDLIX-HONMWMINSA-N 0 3 237.318 3.236 20 0 BGADHN F[C@H]1CCC[C@H]1NC1CC(c2ccccc2)C1 ZINC000559916424 398331466 /nfs/dbraw/zinc/33/14/66/398331466.db2.gz PNIQLNMSLLAKRQ-PFSRBDOWSA-N 0 3 233.330 3.413 20 0 BGADHN COc1ccc([C@@H](C)N[C@@H]2CCC[C@@H]2F)cc1 ZINC000559916809 322981050 /nfs/dbraw/zinc/98/10/50/322981050.db2.gz WFKYVPAODJEECE-DDTOSNHZSA-N 0 3 237.318 3.236 20 0 BGADHN F[C@H]1CCC[C@H]1N[C@H]1CCCNc2ccccc21 ZINC000559917453 322981124 /nfs/dbraw/zinc/98/11/24/322981124.db2.gz POFNMBGOVHIPTA-AEGPPILISA-N 0 3 248.345 3.414 20 0 BGADHN F[C@H]1CCC[C@H]1N[C@@H]1CCCNc2ccccc21 ZINC000559917455 398331416 /nfs/dbraw/zinc/33/14/16/398331416.db2.gz POFNMBGOVHIPTA-NWANDNLSSA-N 0 3 248.345 3.414 20 0 BGADHN CCC[C@@H](N[C@H]1CCC[C@H]1F)c1cccnc1 ZINC000559918944 385229764 /nfs/dbraw/zinc/22/97/64/385229764.db2.gz WVAISEHBEVZWJU-MCIONIFRSA-N 0 3 236.334 3.403 20 0 BGADHN Fc1ccc2c(c1)[C@@H](N[C@H]1CCC[C@H]1F)CC2 ZINC000559919216 487525396 /nfs/dbraw/zinc/52/53/96/487525396.db2.gz MEWMMRLOACMWGR-RDBSUJKOSA-N 0 3 237.293 3.293 20 0 BGADHN CCO[C@@H]1C[C@@H]1N[C@@H](C)c1cc(C)cc(C)c1 ZINC000560001346 322981987 /nfs/dbraw/zinc/98/19/87/322981987.db2.gz WGJZBTMWVITEBF-AEGPPILISA-N 0 3 233.355 3.131 20 0 BGADHN CCO[C@@H]1C[C@H]1N[C@H](C)c1cc(C)cc(C)c1 ZINC000560001347 383835134 /nfs/dbraw/zinc/83/51/34/383835134.db2.gz WGJZBTMWVITEBF-BPLDGKMQSA-N 0 3 233.355 3.131 20 0 BGADHN CCO[C@@H]1C[C@H]1N[C@@H](C)c1cc(C)cc(C)c1 ZINC000560001349 383834796 /nfs/dbraw/zinc/83/47/96/383834796.db2.gz WGJZBTMWVITEBF-NWANDNLSSA-N 0 3 233.355 3.131 20 0 BGADHN CCO[C@@H]1C[C@@H]1N[C@H](C)c1cc(C)cc(C)c1 ZINC000560001350 383834213 /nfs/dbraw/zinc/83/42/13/383834213.db2.gz WGJZBTMWVITEBF-VHDGCEQUSA-N 0 3 233.355 3.131 20 0 BGADHN CCO[C@@H]1C[C@H]1N[C@@H](CC)c1ccc(F)cc1 ZINC000560002796 383837445 /nfs/dbraw/zinc/83/74/45/383837445.db2.gz QHXORYBQQZBTJI-BFHYXJOUSA-N 0 3 237.318 3.044 20 0 BGADHN CCO[C@@H]1C[C@@H]1N[C@H](CC)c1ccc(F)cc1 ZINC000560002797 322981865 /nfs/dbraw/zinc/98/18/65/322981865.db2.gz QHXORYBQQZBTJI-HZSPNIEDSA-N 0 3 237.318 3.044 20 0 BGADHN CCO[C@@H]1C[C@@H]1N[C@@H](CC)c1ccc(F)cc1 ZINC000560002798 383837192 /nfs/dbraw/zinc/83/71/92/383837192.db2.gz QHXORYBQQZBTJI-MELADBBJSA-N 0 3 237.318 3.044 20 0 BGADHN CCO[C@@H]1C[C@H]1N[C@H](CC)c1ccc(F)cc1 ZINC000560002799 383837801 /nfs/dbraw/zinc/83/78/01/383837801.db2.gz QHXORYBQQZBTJI-MGPQQGTHSA-N 0 3 237.318 3.044 20 0 BGADHN CCO[C@@H]1C[C@@H]1N[C@@H](C)c1cc(C)ccc1C ZINC000560003068 322981885 /nfs/dbraw/zinc/98/18/85/322981885.db2.gz WDJLGDPWMAOVFZ-AEGPPILISA-N 0 3 233.355 3.131 20 0 BGADHN CCO[C@@H]1C[C@H]1N[C@H](C)c1cc(C)ccc1C ZINC000560003069 383836802 /nfs/dbraw/zinc/83/68/02/383836802.db2.gz WDJLGDPWMAOVFZ-BPLDGKMQSA-N 0 3 233.355 3.131 20 0 BGADHN CCO[C@@H]1C[C@H]1N[C@@H](C)c1cc(C)ccc1C ZINC000560003070 322981860 /nfs/dbraw/zinc/98/18/60/322981860.db2.gz WDJLGDPWMAOVFZ-NWANDNLSSA-N 0 3 233.355 3.131 20 0 BGADHN CCO[C@@H]1C[C@@H]1N[C@H](C)c1cc(C)ccc1C ZINC000560003071 383837077 /nfs/dbraw/zinc/83/70/77/383837077.db2.gz WDJLGDPWMAOVFZ-VHDGCEQUSA-N 0 3 233.355 3.131 20 0 BGADHN C=Cn1cc(CNC(C)(C)c2cccs2)cn1 ZINC000560021405 383843625 /nfs/dbraw/zinc/84/36/25/383843625.db2.gz HWGUEYFJNPRLEL-UHFFFAOYSA-N 0 3 247.367 3.070 20 0 BGADHN CCCC(C)(C)NCc1cn2cc(C)ccc2n1 ZINC000560047772 383865180 /nfs/dbraw/zinc/86/51/80/383865180.db2.gz CNEIJTKQLQPVEL-UHFFFAOYSA-N 0 3 245.370 3.311 20 0 BGADHN CCc1cc(CNCC(C(C)C)C(C)C)on1 ZINC000560050350 322982413 /nfs/dbraw/zinc/98/24/13/322982413.db2.gz KVNPNQMSIKCHJP-UHFFFAOYSA-N 0 3 238.375 3.255 20 0 BGADHN c1cc(CNC2(C3CC3)CC2)n(C2CCCC2)n1 ZINC000560113991 383905959 /nfs/dbraw/zinc/90/59/59/383905959.db2.gz YWPIXIMUVFRCRG-UHFFFAOYSA-N 0 3 245.370 3.030 20 0 BGADHN Fc1cccc2c1CCC[C@H]2NCC1(F)CC1 ZINC000560138363 383925553 /nfs/dbraw/zinc/92/55/53/383925553.db2.gz CZWOECZGOUIKPG-CYBMUJFWSA-N 0 3 237.293 3.295 20 0 BGADHN Fc1cccc2c1CCC[C@@H]2NCC1(F)CC1 ZINC000560138366 383927011 /nfs/dbraw/zinc/92/70/11/383927011.db2.gz CZWOECZGOUIKPG-ZDUSSCGKSA-N 0 3 237.293 3.295 20 0 BGADHN Fc1cccc(CNC[C@@H]2C[C@H]2C2CC2)c1F ZINC000560156355 322983279 /nfs/dbraw/zinc/98/32/79/322983279.db2.gz SREJYVXWIOBXEU-RYUDHWBXSA-N 0 3 237.293 3.101 20 0 BGADHN FCCCCCN1CCOC2(CCCCC2)C1 ZINC000560158998 383937910 /nfs/dbraw/zinc/93/79/10/383937910.db2.gz GEOFBQYVBYUWES-UHFFFAOYSA-N 0 3 243.366 3.161 20 0 BGADHN CCc1cc(N2CCC(OC(C)C)CC2)ccn1 ZINC000560201560 322983796 /nfs/dbraw/zinc/98/37/96/322983796.db2.gz ZVCPSWDCKBJRHX-UHFFFAOYSA-N 0 3 248.370 3.038 20 0 BGADHN CC(C)(C)CN(Cc1cc[nH]n1)CC(C)(C)C ZINC000560239428 398333038 /nfs/dbraw/zinc/33/30/38/398333038.db2.gz KJSHHTKVHTYZJH-UHFFFAOYSA-N 0 3 237.391 3.304 20 0 BGADHN CCC1CC(Nc2cccc(CN(C)C)c2)C1 ZINC000560241622 384005123 /nfs/dbraw/zinc/00/51/23/384005123.db2.gz SAMWEKRHBUPADE-UHFFFAOYSA-N 0 3 232.371 3.349 20 0 BGADHN FC(F)O[C@H]1CCN(CCC2=CCCCC2)C1 ZINC000560245462 384013053 /nfs/dbraw/zinc/01/30/53/384013053.db2.gz BQDZFMPZNIGLDV-LBPRGKRZSA-N 0 3 245.313 3.190 20 0 BGADHN CCC1CC(N[C@@H](C)c2cnn(C(C)C)c2)C1 ZINC000560246880 384011619 /nfs/dbraw/zinc/01/16/19/384011619.db2.gz SPPRKDGGECFVSH-DCBWTQNWSA-N 0 3 235.375 3.303 20 0 BGADHN CCC1CC(N[C@H](C)c2cnn(C(C)C)c2)C1 ZINC000560246881 384011695 /nfs/dbraw/zinc/01/16/95/384011695.db2.gz SPPRKDGGECFVSH-LKSINWNRSA-N 0 3 235.375 3.303 20 0 BGADHN CC1(CN2CCC(F)(c3cccnc3)CC2)CC1 ZINC000560274370 322985068 /nfs/dbraw/zinc/98/50/68/322985068.db2.gz WPBAEYFZYQPZEL-UHFFFAOYSA-N 0 3 248.345 3.142 20 0 BGADHN CCC(C)(C)[C@H](C)N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000560351081 322986228 /nfs/dbraw/zinc/98/62/28/322986228.db2.gz MQRJTVPOYXQQME-GRYCIOLGSA-N 0 3 235.375 3.303 20 0 BGADHN CCC(C)(C)[C@H](C)N[C@@H]1C[C@H](C)n2ccnc21 ZINC000560351082 322986158 /nfs/dbraw/zinc/98/61/58/322986158.db2.gz MQRJTVPOYXQQME-SDDRHHMPSA-N 0 3 235.375 3.303 20 0 BGADHN CCC(C)(C)[C@H](C)N[C@H]1C[C@H](C)n2ccnc21 ZINC000560351083 384086637 /nfs/dbraw/zinc/08/66/37/384086637.db2.gz MQRJTVPOYXQQME-SRVKXCTJSA-N 0 3 235.375 3.303 20 0 BGADHN CCC(C)(C)[C@H](C)N[C@H]1C[C@@H](C)n2ccnc21 ZINC000560351084 322986207 /nfs/dbraw/zinc/98/62/07/322986207.db2.gz MQRJTVPOYXQQME-WOPDTQHZSA-N 0 3 235.375 3.303 20 0 BGADHN CC1=C[C@H](C)C[C@@H](CN2CCOC(C)(C)C2)C1 ZINC000560364447 384095634 /nfs/dbraw/zinc/09/56/34/384095634.db2.gz QBOWOBUQHVLBLB-GXTWGEPZSA-N 0 3 237.387 3.090 20 0 BGADHN CC1=C[C@H](C)C[C@H](CN2CCOC(C)(C)C2)C1 ZINC000560364448 384095199 /nfs/dbraw/zinc/09/51/99/384095199.db2.gz QBOWOBUQHVLBLB-JSGCOSHPSA-N 0 3 237.387 3.090 20 0 BGADHN CC1=C[C@@H](C)C[C@H](CN2CCOC(C)(C)C2)C1 ZINC000560364449 384094854 /nfs/dbraw/zinc/09/48/54/384094854.db2.gz QBOWOBUQHVLBLB-OCCSQVGLSA-N 0 3 237.387 3.090 20 0 BGADHN CC1=C[C@@H](C)C[C@@H](CN2CCOC(C)(C)C2)C1 ZINC000560364450 384096829 /nfs/dbraw/zinc/09/68/29/384096829.db2.gz QBOWOBUQHVLBLB-TZMCWYRMSA-N 0 3 237.387 3.090 20 0 BGADHN CC1=CC[C@@H](NCc2cccc3c2OCO3)CC1 ZINC000560467284 384152817 /nfs/dbraw/zinc/15/28/17/384152817.db2.gz FIMBBZYFLKFGCN-CYBMUJFWSA-N 0 3 245.322 3.004 20 0 BGADHN CC1=CC[C@H](NCc2cccc3c2OCO3)CC1 ZINC000560467285 322988118 /nfs/dbraw/zinc/98/81/18/322988118.db2.gz FIMBBZYFLKFGCN-ZDUSSCGKSA-N 0 3 245.322 3.004 20 0 BGADHN CCc1nc(CN[C@@H]2CC=C(C)CC2)cs1 ZINC000560474500 322988366 /nfs/dbraw/zinc/98/83/66/322988366.db2.gz HYXHTLMVDMUABJ-LLVKDONJSA-N 0 3 236.384 3.294 20 0 BGADHN CCc1nc(CN[C@H]2CC=C(C)CC2)cs1 ZINC000560474501 384159325 /nfs/dbraw/zinc/15/93/25/384159325.db2.gz HYXHTLMVDMUABJ-NSHDSACASA-N 0 3 236.384 3.294 20 0 BGADHN CCN(Cc1cccc2c1OCO2)CC(C)(C)C ZINC000560513901 344752478 /nfs/dbraw/zinc/75/24/78/344752478.db2.gz KVLRCFVVHNEJHP-UHFFFAOYSA-N 0 3 249.354 3.283 20 0 BGADHN CC(C)(C)CN1CCOC2(CCCCC2)C1 ZINC000560543414 344824202 /nfs/dbraw/zinc/82/42/02/344824202.db2.gz FZIZCYLBTIKXSV-UHFFFAOYSA-N 0 3 225.376 3.068 20 0 BGADHN CCOc1ccccc1CN1CCC1(C)C ZINC000560544651 384215043 /nfs/dbraw/zinc/21/50/43/384215043.db2.gz BSMCPVODWXGYNV-UHFFFAOYSA-N 0 3 219.328 3.070 20 0 BGADHN Fc1ccc([C@H]2C[C@H](NCC3(F)CC3)C2)cc1 ZINC000560556990 322989523 /nfs/dbraw/zinc/98/95/23/322989523.db2.gz TWQACEOOCRTHEQ-AULYBMBSSA-N 0 3 237.293 3.163 20 0 BGADHN CC[C@H]1C[C@@H](C)CN1Cc1nc2ccccc2[nH]1 ZINC000560559676 384223076 /nfs/dbraw/zinc/22/30/76/384223076.db2.gz SCYWLPXMZWGYTI-NEPJUHHUSA-N 0 3 243.354 3.183 20 0 BGADHN CC[C@@H]1C[C@H](C)CN1Cc1nc2ccccc2[nH]1 ZINC000560559677 384224079 /nfs/dbraw/zinc/22/40/79/384224079.db2.gz SCYWLPXMZWGYTI-NWDGAFQWSA-N 0 3 243.354 3.183 20 0 BGADHN CC[C@H]1C[C@H](C)CN1Cc1nc2ccccc2[nH]1 ZINC000560559678 384222722 /nfs/dbraw/zinc/22/27/22/384222722.db2.gz SCYWLPXMZWGYTI-RYUDHWBXSA-N 0 3 243.354 3.183 20 0 BGADHN CC[C@@H]1C[C@@H](C)CN1Cc1nc2ccccc2[nH]1 ZINC000560559679 384223611 /nfs/dbraw/zinc/22/36/11/384223611.db2.gz SCYWLPXMZWGYTI-VXGBXAGGSA-N 0 3 243.354 3.183 20 0 BGADHN CCCCN(CC)Cc1ccc2c(n1)CCC2 ZINC000560576039 384234914 /nfs/dbraw/zinc/23/49/14/384234914.db2.gz AAHOOTYLSMKNOX-UHFFFAOYSA-N 0 3 232.371 3.192 20 0 BGADHN Cc1ccc(CN[C@H]2CC=C(C)CC2)nc1C ZINC000560590512 384240947 /nfs/dbraw/zinc/24/09/47/384240947.db2.gz MVZIDOUBFFXXCF-AWEZNQCLSA-N 0 3 230.355 3.287 20 0 BGADHN Cc1ccc(CN[C@@H]2CC=C(C)CC2)nc1C ZINC000560590513 384240892 /nfs/dbraw/zinc/24/08/92/384240892.db2.gz MVZIDOUBFFXXCF-CQSZACIVSA-N 0 3 230.355 3.287 20 0 BGADHN CCC[C@H](CN1CCO[C@H](C)C1)c1ccccc1 ZINC000560603143 384253901 /nfs/dbraw/zinc/25/39/01/384253901.db2.gz ACSQMHSLLFHLNU-GDBMZVCRSA-N 0 3 247.382 3.291 20 0 BGADHN CCC[C@@H](CN1CCO[C@H](C)C1)c1ccccc1 ZINC000560603145 384253275 /nfs/dbraw/zinc/25/32/75/384253275.db2.gz ACSQMHSLLFHLNU-ZBFHGGJFSA-N 0 3 247.382 3.291 20 0 BGADHN CCC[C@H](CN1CCO[C@@H](C)C1)c1ccccc1 ZINC000560603317 384252722 /nfs/dbraw/zinc/25/27/22/384252722.db2.gz ACSQMHSLLFHLNU-GOEBONIOSA-N 0 3 247.382 3.291 20 0 BGADHN CCC[C@@H](CN1CCO[C@@H](C)C1)c1ccccc1 ZINC000560603318 384254055 /nfs/dbraw/zinc/25/40/55/384254055.db2.gz ACSQMHSLLFHLNU-HOCLYGCPSA-N 0 3 247.382 3.291 20 0 BGADHN CCCC[C@@H](CCC)CNCc1cnccn1 ZINC000560604285 384248831 /nfs/dbraw/zinc/24/88/31/384248831.db2.gz LQBIMUPKJCKGDP-CYBMUJFWSA-N 0 3 235.375 3.173 20 0 BGADHN CCCC[C@H](CCC)CNCc1cnccn1 ZINC000560604287 384248510 /nfs/dbraw/zinc/24/85/10/384248510.db2.gz LQBIMUPKJCKGDP-ZDUSSCGKSA-N 0 3 235.375 3.173 20 0 BGADHN CCC1(CC)CCCN(Cc2cnccn2)CC1 ZINC000560612502 384254845 /nfs/dbraw/zinc/25/48/45/384254845.db2.gz SBYNWTFBCVYCIU-UHFFFAOYSA-N 0 3 247.386 3.269 20 0 BGADHN CC1(C)Cc2cc(CN3CCCCC3)ccc2O1 ZINC000560680065 384298578 /nfs/dbraw/zinc/29/85/78/384298578.db2.gz AXEBPJMGNUOXHH-UHFFFAOYSA-N 0 3 245.366 3.386 20 0 BGADHN CC(C)=CCN1CCC[C@H](C(F)(F)F)C1 ZINC000560881017 384395212 /nfs/dbraw/zinc/39/52/12/384395212.db2.gz JTDMXSAHGRLSEX-JTQLQIEISA-N 0 3 221.266 3.227 20 0 BGADHN CC(C)=CCN1CCC[C@@H](C(F)(F)F)C1 ZINC000560881018 398337560 /nfs/dbraw/zinc/33/75/60/398337560.db2.gz JTDMXSAHGRLSEX-SNVBAGLBSA-N 0 3 221.266 3.227 20 0 BGADHN CCc1ncc(CN(C(CC)CC)C2CC2)cn1 ZINC000560888433 384397353 /nfs/dbraw/zinc/39/73/53/384397353.db2.gz OQOFHWRAGVJAIX-UHFFFAOYSA-N 0 3 247.386 3.192 20 0 BGADHN CC[C@@H]([NH2+]Cc1ncccc1[O-])c1ccccc1 ZINC000560905145 384404138 /nfs/dbraw/zinc/40/41/38/384404138.db2.gz SCBIZEWVBWOXGW-CYBMUJFWSA-N 0 3 242.322 3.028 20 0 BGADHN CC1(CN[C@@H]2CCOc3ccc(F)cc32)CC1 ZINC000560909428 322993176 /nfs/dbraw/zinc/99/31/76/322993176.db2.gz YGOBMPXVRNJFEF-GFCCVEGCSA-N 0 3 235.302 3.039 20 0 BGADHN CC1(CN[C@H]2CCOc3ccc(F)cc32)CC1 ZINC000560909467 384401816 /nfs/dbraw/zinc/40/18/16/384401816.db2.gz YGOBMPXVRNJFEF-LBPRGKRZSA-N 0 3 235.302 3.039 20 0 BGADHN CC(C)[C@@H]1CN([C@@H]2C=CCCCCC2)CCO1 ZINC000561034206 384456356 /nfs/dbraw/zinc/45/63/56/384456356.db2.gz ZGCICQGIZSHXBR-CABCVRRESA-N 0 3 237.387 3.232 20 0 BGADHN CC(C)[C@@H]1CN([C@H]2C=CCCCCC2)CCO1 ZINC000561034207 384457236 /nfs/dbraw/zinc/45/72/36/384457236.db2.gz ZGCICQGIZSHXBR-GJZGRUSLSA-N 0 3 237.387 3.232 20 0 BGADHN CC(C)[C@H]1CN([C@@H]2C=CCCCCC2)CCO1 ZINC000561034208 384456882 /nfs/dbraw/zinc/45/68/82/384456882.db2.gz ZGCICQGIZSHXBR-HUUCEWRRSA-N 0 3 237.387 3.232 20 0 BGADHN CC(C)[C@H]1CN([C@H]2C=CCCCCC2)CCO1 ZINC000561034209 384455504 /nfs/dbraw/zinc/45/55/04/384455504.db2.gz ZGCICQGIZSHXBR-LSDHHAIUSA-N 0 3 237.387 3.232 20 0 BGADHN CN(CCOc1ccc(F)cc1)[C@H]1C=CCCC1 ZINC000561309010 384644684 /nfs/dbraw/zinc/64/46/84/384644684.db2.gz PGMBDMYWIBPNPZ-AWEZNQCLSA-N 0 3 249.329 3.245 20 0 BGADHN CN(CCOc1ccc(F)cc1)[C@@H]1C=CCCC1 ZINC000561309011 384645788 /nfs/dbraw/zinc/64/57/88/384645788.db2.gz PGMBDMYWIBPNPZ-CQSZACIVSA-N 0 3 249.329 3.245 20 0 BGADHN CCN(Cc1cc(F)ccc1OC)C1CCC1 ZINC000561396321 323001039 /nfs/dbraw/zinc/00/10/39/323001039.db2.gz GZBNDQMHRHIMQU-UHFFFAOYSA-N 0 3 237.318 3.209 20 0 BGADHN CC1(CN2CCc3ccc(Cl)cc3C2)CC1 ZINC000561440959 323001644 /nfs/dbraw/zinc/00/16/44/323001644.db2.gz XFAOLKODKWKIGD-UHFFFAOYSA-N 0 3 235.758 3.498 20 0 BGADHN CCC[C@H](NCc1ccn(C)n1)C1CCCCC1 ZINC000561455552 323001975 /nfs/dbraw/zinc/00/19/75/323001975.db2.gz IGCOTCGYLJWYKZ-HNNXBMFYSA-N 0 3 249.402 3.259 20 0 BGADHN CCC[C@@H](NCc1ccn(C)n1)C1CCCCC1 ZINC000561455561 323002048 /nfs/dbraw/zinc/00/20/48/323002048.db2.gz IGCOTCGYLJWYKZ-OAHLLOKOSA-N 0 3 249.402 3.259 20 0 BGADHN CCOC[C@@H](C)NCc1cc2cc(C)ccc2o1 ZINC000561468585 323002554 /nfs/dbraw/zinc/00/25/54/323002554.db2.gz RWNAAZBYKBWGPS-GFCCVEGCSA-N 0 3 247.338 3.256 20 0 BGADHN CCOC[C@H](C)NCc1cc2cc(C)ccc2o1 ZINC000561468586 323002461 /nfs/dbraw/zinc/00/24/61/323002461.db2.gz RWNAAZBYKBWGPS-LBPRGKRZSA-N 0 3 247.338 3.256 20 0 BGADHN COCC1(N[C@@H]2C[C@@H](C)c3ccccc32)CC1 ZINC000561775623 323006818 /nfs/dbraw/zinc/00/68/18/323006818.db2.gz AMAILFWBMONPCM-BXUZGUMPSA-N 0 3 231.339 3.004 20 0 BGADHN COCC1(N[C@H]2C[C@H](C)c3ccccc32)CC1 ZINC000561775625 323006705 /nfs/dbraw/zinc/00/67/05/323006705.db2.gz AMAILFWBMONPCM-FZMZJTMJSA-N 0 3 231.339 3.004 20 0 BGADHN COCC1(N[C@H]2C[C@@H](C)c3ccccc32)CC1 ZINC000561775627 323006703 /nfs/dbraw/zinc/00/67/03/323006703.db2.gz AMAILFWBMONPCM-RISCZKNCSA-N 0 3 231.339 3.004 20 0 BGADHN COCC1(N[C@@H]2C[C@H](C)c3ccccc32)CC1 ZINC000561775628 323006761 /nfs/dbraw/zinc/00/67/61/323006761.db2.gz AMAILFWBMONPCM-SMDDNHRTSA-N 0 3 231.339 3.004 20 0 BGADHN CCCCCN(C)C[C@@H]1OCCc2ccccc21 ZINC000561813276 323007348 /nfs/dbraw/zinc/00/73/48/323007348.db2.gz FQJXMZMGSFNIRX-INIZCTEOSA-N 0 3 247.382 3.422 20 0 BGADHN CCCCCN(C)C[C@H]1OCCc2ccccc21 ZINC000561813277 323007416 /nfs/dbraw/zinc/00/74/16/323007416.db2.gz FQJXMZMGSFNIRX-MRXNPFEDSA-N 0 3 247.382 3.422 20 0 BGADHN Cc1ccc2c(c1)[C@H](N[C@H]1CC[C@H]1C1CC1)CO2 ZINC000562052490 323011048 /nfs/dbraw/zinc/01/10/48/323011048.db2.gz AMKGFXPPOKERNO-AEGPPILISA-N 0 3 243.350 3.207 20 0 BGADHN Cc1ccc2c(c1)[C@H](N[C@@H]1CC[C@@H]1C1CC1)CO2 ZINC000562052491 323011081 /nfs/dbraw/zinc/01/10/81/323011081.db2.gz AMKGFXPPOKERNO-BPLDGKMQSA-N 0 3 243.350 3.207 20 0 BGADHN Cc1ccc2c(c1)[C@H](N[C@@H]1CC[C@H]1C1CC1)CO2 ZINC000562052492 323011098 /nfs/dbraw/zinc/01/10/98/323011098.db2.gz AMKGFXPPOKERNO-NWANDNLSSA-N 0 3 243.350 3.207 20 0 BGADHN Cc1ccc2c(c1)[C@H](N[C@H]1CC[C@@H]1C1CC1)CO2 ZINC000562052493 323011094 /nfs/dbraw/zinc/01/10/94/323011094.db2.gz AMKGFXPPOKERNO-VHDGCEQUSA-N 0 3 243.350 3.207 20 0 BGADHN COCC(C)(C)CCCN[C@H](C)c1ccoc1 ZINC000562054702 323011129 /nfs/dbraw/zinc/01/11/29/323011129.db2.gz DHQOTAIHGQIUSD-GFCCVEGCSA-N 0 3 239.359 3.383 20 0 BGADHN COCC(C)(C)CCCN[C@@H](C)c1ccoc1 ZINC000562054703 323011131 /nfs/dbraw/zinc/01/11/31/323011131.db2.gz DHQOTAIHGQIUSD-LBPRGKRZSA-N 0 3 239.359 3.383 20 0 BGADHN Fc1cccc2c1CC[C@H]2N[C@H]1C[C@@H]1C(F)F ZINC000562054903 323011141 /nfs/dbraw/zinc/01/11/41/323011141.db2.gz IEKSFJAVNMPOBN-WCQGTBRESA-N 0 3 241.256 3.056 20 0 BGADHN C[C@@H]1Oc2cc(F)ccc2[C@@H]1N[C@@H]1CCC1(C)C ZINC000562056259 345276067 /nfs/dbraw/zinc/27/60/67/345276067.db2.gz QCFCGPOWRCANMR-CUOATXAZSA-N 0 3 249.329 3.426 20 0 BGADHN C[C@@H]1Oc2cc(F)ccc2[C@H]1N[C@@H]1CCC1(C)C ZINC000562056260 345276188 /nfs/dbraw/zinc/27/61/88/345276188.db2.gz QCFCGPOWRCANMR-FZZIBODNSA-N 0 3 249.329 3.426 20 0 BGADHN C[C@@H]1Oc2cc(F)ccc2[C@H]1N[C@H]1CCC1(C)C ZINC000562056261 345275776 /nfs/dbraw/zinc/27/57/76/345275776.db2.gz QCFCGPOWRCANMR-HERUPUMHSA-N 0 3 249.329 3.426 20 0 BGADHN C[C@@H]1Oc2cc(F)ccc2[C@@H]1N[C@H]1CCC1(C)C ZINC000562056262 345275962 /nfs/dbraw/zinc/27/59/62/345275962.db2.gz QCFCGPOWRCANMR-QCZZGDTMSA-N 0 3 249.329 3.426 20 0 BGADHN CC[C@H]1CC[C@H]1Nc1cccc(CN(C)C)c1 ZINC000562056584 323011330 /nfs/dbraw/zinc/01/13/30/323011330.db2.gz AWAUAUUATFJJSZ-DZGCQCFKSA-N 0 3 232.371 3.349 20 0 BGADHN CC[C@@H]1CC[C@@H]1Nc1cccc(CN(C)C)c1 ZINC000562056585 323011292 /nfs/dbraw/zinc/01/12/92/323011292.db2.gz AWAUAUUATFJJSZ-HIFRSBDPSA-N 0 3 232.371 3.349 20 0 BGADHN CC[C@@H]1CC[C@H]1Nc1cccc(CN(C)C)c1 ZINC000562056587 323011298 /nfs/dbraw/zinc/01/12/98/323011298.db2.gz AWAUAUUATFJJSZ-UKRRQHHQSA-N 0 3 232.371 3.349 20 0 BGADHN CC[C@H]1CC[C@@H]1Nc1cccc(CN(C)C)c1 ZINC000562056589 323011322 /nfs/dbraw/zinc/01/13/22/323011322.db2.gz AWAUAUUATFJJSZ-ZFWWWQNUSA-N 0 3 232.371 3.349 20 0 BGADHN C/C=C\c1ccc(NC2CCN(C)CC2)cc1 ZINC000562057635 323011400 /nfs/dbraw/zinc/01/14/00/323011400.db2.gz ZALULDAGVABAJJ-ARJAWSKDSA-N 0 3 230.355 3.226 20 0 BGADHN CCC[C@@H](N[C@H]1C[C@@H]1C(F)F)c1cccnc1 ZINC000562062239 345276888 /nfs/dbraw/zinc/27/68/88/345276888.db2.gz NALZMVROJBLPAG-TUAOUCFPSA-N 0 3 240.297 3.166 20 0 BGADHN CCC[C@@H](N[C@H]1C[C@@H]1C(F)F)c1ccccn1 ZINC000562063635 323011263 /nfs/dbraw/zinc/01/12/63/323011263.db2.gz FQSWPTSWNFWDDZ-WCQGTBRESA-N 0 3 240.297 3.166 20 0 BGADHN c1ccc2c(c1)CC(CN1Cc3ccccc3C1)C2 ZINC000562205029 323013281 /nfs/dbraw/zinc/01/32/81/323013281.db2.gz FZMYHTHXNCZREF-UHFFFAOYSA-N 0 3 249.357 3.417 20 0 BGADHN COc1ccc(CN2CC(C)(C)[C@@H]2C2CC2)cc1 ZINC000562207567 323013464 /nfs/dbraw/zinc/01/34/64/323013464.db2.gz LSXJWHRJVNKMDT-HNNXBMFYSA-N 0 3 245.366 3.316 20 0 BGADHN COc1ccc(CN2CC(C)(C)[C@H]2C2CC2)cc1 ZINC000562207569 323013379 /nfs/dbraw/zinc/01/33/79/323013379.db2.gz LSXJWHRJVNKMDT-OAHLLOKOSA-N 0 3 245.366 3.316 20 0 BGADHN CCCN(Cc1ccc(Cl)cn1)CC1CC1 ZINC000562259137 323014095 /nfs/dbraw/zinc/01/40/95/323014095.db2.gz DVCWQDDYENBWAY-UHFFFAOYSA-N 0 3 238.762 3.357 20 0 BGADHN CC[C@H]1C[C@H](C)CN1Cc1ccc(Cl)cn1 ZINC000562261815 323014089 /nfs/dbraw/zinc/01/40/89/323014089.db2.gz ORLAFUVSJLBIHL-GWCFXTLKSA-N 0 3 238.762 3.355 20 0 BGADHN CC[C@@H]1C[C@H](C)CN1Cc1ccc(Cl)cn1 ZINC000562261816 323014073 /nfs/dbraw/zinc/01/40/73/323014073.db2.gz ORLAFUVSJLBIHL-GXFFZTMASA-N 0 3 238.762 3.355 20 0 BGADHN CC[C@H]1C[C@@H](C)CN1Cc1ccc(Cl)cn1 ZINC000562261817 323014049 /nfs/dbraw/zinc/01/40/49/323014049.db2.gz ORLAFUVSJLBIHL-MFKMUULPSA-N 0 3 238.762 3.355 20 0 BGADHN CC[C@@H]1C[C@@H](C)CN1Cc1ccc(Cl)cn1 ZINC000562261818 323014116 /nfs/dbraw/zinc/01/41/16/323014116.db2.gz ORLAFUVSJLBIHL-ZWNOBZJWSA-N 0 3 238.762 3.355 20 0 BGADHN CC(C)N(Cc1ccc(Cl)cn1)C1CCC1 ZINC000562263623 323014236 /nfs/dbraw/zinc/01/42/36/323014236.db2.gz DYFZBWPNWYUDGM-UHFFFAOYSA-N 0 3 238.762 3.498 20 0 BGADHN CCC(C)(C)N(C)Cc1ccc(Cl)cn1 ZINC000562263859 323014268 /nfs/dbraw/zinc/01/42/68/323014268.db2.gz FXNNRJNBRXSOGR-UHFFFAOYSA-N 0 3 226.751 3.355 20 0 BGADHN CC(C)[C@H]1CCCN1Cc1ccc(Cl)cn1 ZINC000562263898 323014144 /nfs/dbraw/zinc/01/41/44/323014144.db2.gz MBFZGJRKZJERQK-CYBMUJFWSA-N 0 3 238.762 3.355 20 0 BGADHN CC(C)[C@@H]1CCCN1Cc1ccc(Cl)cn1 ZINC000562263899 323014243 /nfs/dbraw/zinc/01/42/43/323014243.db2.gz MBFZGJRKZJERQK-ZDUSSCGKSA-N 0 3 238.762 3.355 20 0 BGADHN CC(C)[C@@H]1CCN(Cc2ccc(Cl)cn2)C1 ZINC000562263991 323014240 /nfs/dbraw/zinc/01/42/40/323014240.db2.gz XZXBAKCYOYNUPX-LLVKDONJSA-N 0 3 238.762 3.213 20 0 BGADHN CC(C)[C@H]1CCN(Cc2ccc(Cl)cn2)C1 ZINC000562263992 323014198 /nfs/dbraw/zinc/01/41/98/323014198.db2.gz XZXBAKCYOYNUPX-NSHDSACASA-N 0 3 238.762 3.213 20 0 BGADHN c1nc(C2CC2)c(CN2C3CCC2CC3)s1 ZINC000562340635 323016971 /nfs/dbraw/zinc/01/69/71/323016971.db2.gz VFDRXRUVBSJGBU-UHFFFAOYSA-N 0 3 234.368 3.147 20 0 BGADHN CCCc1nc(C)c(CN2C3CCC2CC3)o1 ZINC000562359453 323017722 /nfs/dbraw/zinc/01/77/22/323017722.db2.gz HELQUEPKRBOSDK-UHFFFAOYSA-N 0 3 234.343 3.062 20 0 BGADHN COC(C)(C)CN(C)Cc1cc(Cl)cs1 ZINC000562365278 323017825 /nfs/dbraw/zinc/01/78/25/323017825.db2.gz VFSWRZCGBKKIJI-UHFFFAOYSA-N 0 3 247.791 3.258 20 0 BGADHN CCn1ccnc1CN[C@@H](C)CC1CCCCC1 ZINC000562489400 323021726 /nfs/dbraw/zinc/02/17/26/323021726.db2.gz NUEYRKASNNYBST-ZDUSSCGKSA-N 0 3 249.402 3.352 20 0 BGADHN CCc1cnc(CN(CC2CCC2)C(C)C)o1 ZINC000562543042 323023605 /nfs/dbraw/zinc/02/36/05/323023605.db2.gz HMJKVKOCZQPWEQ-UHFFFAOYSA-N 0 3 236.359 3.248 20 0 BGADHN CCc1cnc(CNC2(CC)CCCC2)o1 ZINC000562543098 323023513 /nfs/dbraw/zinc/02/35/13/323023513.db2.gz HMUCJOBJMMOKHR-UHFFFAOYSA-N 0 3 222.332 3.049 20 0 BGADHN C[C@H]1CCC(C)(C)N1Cc1ccc(Cl)cn1 ZINC000562549310 323024222 /nfs/dbraw/zinc/02/42/22/323024222.db2.gz JZLOODQJEPXAEW-JTQLQIEISA-N 0 3 238.762 3.498 20 0 BGADHN C[C@@H]1CCC(C)(C)N1Cc1ccc(Cl)cn1 ZINC000562549311 323024152 /nfs/dbraw/zinc/02/41/52/323024152.db2.gz JZLOODQJEPXAEW-SNVBAGLBSA-N 0 3 238.762 3.498 20 0 BGADHN CCC(C)(C)[C@@H](C)NCc1nccs1 ZINC000562564133 323024352 /nfs/dbraw/zinc/02/43/52/323024352.db2.gz WSLQQSHINHVNLL-SECBINFHSA-N 0 3 212.362 3.057 20 0 BGADHN CCC(C)(C)[C@H](C)NCc1nccs1 ZINC000562564134 323024288 /nfs/dbraw/zinc/02/42/88/323024288.db2.gz WSLQQSHINHVNLL-VIFPVBQESA-N 0 3 212.362 3.057 20 0 BGADHN CC(C)[C@@H]1C[C@H]1CN[C@@H](C)c1cscn1 ZINC000562569375 323024700 /nfs/dbraw/zinc/02/47/00/323024700.db2.gz FGVMWVSQHQRNCC-DCAQKATOSA-N 0 3 224.373 3.086 20 0 BGADHN CC(C)[C@@H]1C[C@H]1CN[C@H](C)c1cscn1 ZINC000562569385 323024617 /nfs/dbraw/zinc/02/46/17/323024617.db2.gz FGVMWVSQHQRNCC-VWYCJHECSA-N 0 3 224.373 3.086 20 0 BGADHN CCC(C)(C)[C@@H](C)N[C@@H](CCO)c1ccco1 ZINC000562572174 323024821 /nfs/dbraw/zinc/02/48/21/323024821.db2.gz ZPTAHKALXYGRNX-NEPJUHHUSA-N 0 3 239.359 3.117 20 0 BGADHN CCC(C)(C)[C@H](C)N[C@H](CCO)c1ccco1 ZINC000562572175 323024796 /nfs/dbraw/zinc/02/47/96/323024796.db2.gz ZPTAHKALXYGRNX-NWDGAFQWSA-N 0 3 239.359 3.117 20 0 BGADHN CCC(C)(C)[C@H](C)N[C@@H](CCO)c1ccco1 ZINC000562572177 323024763 /nfs/dbraw/zinc/02/47/63/323024763.db2.gz ZPTAHKALXYGRNX-RYUDHWBXSA-N 0 3 239.359 3.117 20 0 BGADHN CCC(C)(C)[C@@H](C)N[C@H](CCO)c1ccco1 ZINC000562572179 323024801 /nfs/dbraw/zinc/02/48/01/323024801.db2.gz ZPTAHKALXYGRNX-VXGBXAGGSA-N 0 3 239.359 3.117 20 0 BGADHN CCc1ccc(CN2CC(CC)C2)s1 ZINC000562573905 323024760 /nfs/dbraw/zinc/02/47/60/323024760.db2.gz FQGVLOBLPOTBHT-UHFFFAOYSA-N 0 3 209.358 3.152 20 0 BGADHN CC1=C[C@H](C)C[C@@H](CN2CCOCC2(C)C)C1 ZINC000562576648 323024870 /nfs/dbraw/zinc/02/48/70/323024870.db2.gz TXVQGJZTDVCMAF-GXTWGEPZSA-N 0 3 237.387 3.090 20 0 BGADHN CC1=C[C@H](C)C[C@H](CN2CCOCC2(C)C)C1 ZINC000562576649 323024934 /nfs/dbraw/zinc/02/49/34/323024934.db2.gz TXVQGJZTDVCMAF-JSGCOSHPSA-N 0 3 237.387 3.090 20 0 BGADHN CC1=C[C@@H](C)C[C@H](CN2CCOCC2(C)C)C1 ZINC000562576650 323024843 /nfs/dbraw/zinc/02/48/43/323024843.db2.gz TXVQGJZTDVCMAF-OCCSQVGLSA-N 0 3 237.387 3.090 20 0 BGADHN CC1=C[C@@H](C)C[C@@H](CN2CCOCC2(C)C)C1 ZINC000562576651 323024851 /nfs/dbraw/zinc/02/48/51/323024851.db2.gz TXVQGJZTDVCMAF-TZMCWYRMSA-N 0 3 237.387 3.090 20 0 BGADHN Cc1ccc(CCN[C@H]2CCCc3occc32)o1 ZINC000562592363 323025096 /nfs/dbraw/zinc/02/50/96/323025096.db2.gz BEBNQMWBPRYENH-AWEZNQCLSA-N 0 3 245.322 3.391 20 0 BGADHN Cc1ccc(CCN[C@@H]2CCCc3occc32)o1 ZINC000562592364 323025083 /nfs/dbraw/zinc/02/50/83/323025083.db2.gz BEBNQMWBPRYENH-CQSZACIVSA-N 0 3 245.322 3.391 20 0 BGADHN CCO[C@@H]1C[C@H]1N[C@H]1CC(C)(C)Cc2occc21 ZINC000562603534 323025416 /nfs/dbraw/zinc/02/54/16/323025416.db2.gz PJDMORFUJCHYEX-FRRDWIJNSA-N 0 3 249.354 3.060 20 0 BGADHN CCO[C@@H]1C[C@H]1N[C@@H]1CC(C)(C)Cc2occc21 ZINC000562603535 323025396 /nfs/dbraw/zinc/02/53/96/323025396.db2.gz PJDMORFUJCHYEX-JHJVBQTASA-N 0 3 249.354 3.060 20 0 BGADHN CCO[C@@H]1C[C@@H]1N[C@H]1CC(C)(C)Cc2occc21 ZINC000562603536 323025378 /nfs/dbraw/zinc/02/53/78/323025378.db2.gz PJDMORFUJCHYEX-RWMBFGLXSA-N 0 3 249.354 3.060 20 0 BGADHN CCO[C@@H]1C[C@@H]1N[C@@H]1CC(C)(C)Cc2occc21 ZINC000562603537 323025444 /nfs/dbraw/zinc/02/54/44/323025444.db2.gz PJDMORFUJCHYEX-YNEHKIRRSA-N 0 3 249.354 3.060 20 0 BGADHN CCO[C@@H]1C[C@@H]1N[C@H](C)c1ccc(CC)cc1 ZINC000562603562 323025348 /nfs/dbraw/zinc/02/53/48/323025348.db2.gz QSDBSJCMTKJWOZ-BYCMXARLSA-N 0 3 233.355 3.077 20 0 BGADHN CCO[C@@H]1C[C@H]1N[C@H](C)c1ccc(CC)cc1 ZINC000562603563 323025369 /nfs/dbraw/zinc/02/53/69/323025369.db2.gz QSDBSJCMTKJWOZ-KCPJHIHWSA-N 0 3 233.355 3.077 20 0 BGADHN CCO[C@@H]1C[C@H]1N[C@@H](C)c1ccc(CC)cc1 ZINC000562603564 323025383 /nfs/dbraw/zinc/02/53/83/323025383.db2.gz QSDBSJCMTKJWOZ-NILFDRSVSA-N 0 3 233.355 3.077 20 0 BGADHN CCO[C@@H]1C[C@@H]1N[C@@H](C)c1ccc(CC)cc1 ZINC000562603565 323025453 /nfs/dbraw/zinc/02/54/53/323025453.db2.gz QSDBSJCMTKJWOZ-TUKIKUTGSA-N 0 3 233.355 3.077 20 0 BGADHN CC(C)n1cc([C@@H](C)NC2CC(C)(C)C2)cn1 ZINC000562632493 345424357 /nfs/dbraw/zinc/42/43/57/345424357.db2.gz RQDNKSYSAAFKHT-LLVKDONJSA-N 0 3 235.375 3.303 20 0 BGADHN CC(C)n1cc([C@H](C)NC2CC(C)(C)C2)cn1 ZINC000562632501 345424487 /nfs/dbraw/zinc/42/44/87/345424487.db2.gz RQDNKSYSAAFKHT-NSHDSACASA-N 0 3 235.375 3.303 20 0 BGADHN CCc1cc(CN[C@@H](C)CC(C)(C)C)on1 ZINC000562646172 323026320 /nfs/dbraw/zinc/02/63/20/323026320.db2.gz GSBWGGIIOSCIBA-JTQLQIEISA-N 0 3 224.348 3.151 20 0 BGADHN CCc1cc(CN[C@H](C)CC(C)(C)C)on1 ZINC000562646173 323026296 /nfs/dbraw/zinc/02/62/96/323026296.db2.gz GSBWGGIIOSCIBA-SNVBAGLBSA-N 0 3 224.348 3.151 20 0 BGADHN Cc1cccc(CN(C)Cc2ccncc2C)c1 ZINC000562647312 323026336 /nfs/dbraw/zinc/02/63/36/323026336.db2.gz LCHCORAETUEBKJ-UHFFFAOYSA-N 0 3 240.350 3.330 20 0 BGADHN Cc1cc(CN2C[C@@H](C)S[C@H](C)C2)cs1 ZINC000562647652 323026279 /nfs/dbraw/zinc/02/62/79/323026279.db2.gz YVZZTOBGAHQSOD-GHMZBOCLSA-N 0 3 241.425 3.382 20 0 BGADHN Cc1cc(CN2C[C@@H](C)S[C@@H](C)C2)cs1 ZINC000562647653 323026299 /nfs/dbraw/zinc/02/62/99/323026299.db2.gz YVZZTOBGAHQSOD-PHIMTYICSA-N 0 3 241.425 3.382 20 0 BGADHN Cc1cc(CN2C[C@H](C)S[C@@H](C)C2)cs1 ZINC000562647654 323026308 /nfs/dbraw/zinc/02/63/08/323026308.db2.gz YVZZTOBGAHQSOD-QWRGUYRKSA-N 0 3 241.425 3.382 20 0 BGADHN Cc1cccc(CN2[C@H](C)C[C@H]2C)c1F ZINC000562652823 345427631 /nfs/dbraw/zinc/42/76/31/345427631.db2.gz VHECWKWQBFEQNQ-GHMZBOCLSA-N 0 3 207.292 3.117 20 0 BGADHN Cc1cccc(CN2[C@H](C)C[C@@H]2C)c1F ZINC000562652824 345427803 /nfs/dbraw/zinc/42/78/03/345427803.db2.gz VHECWKWQBFEQNQ-PHIMTYICSA-N 0 3 207.292 3.117 20 0 BGADHN Cc1cccc(CN2[C@@H](C)C[C@@H]2C)c1F ZINC000562652825 345428082 /nfs/dbraw/zinc/42/80/82/345428082.db2.gz VHECWKWQBFEQNQ-QWRGUYRKSA-N 0 3 207.292 3.117 20 0 BGADHN CC1(NCc2ccnn2C2CCCC2)CCC1 ZINC000562653766 345428049 /nfs/dbraw/zinc/42/80/49/345428049.db2.gz UHTPDVQINMWXQR-UHFFFAOYSA-N 0 3 233.359 3.030 20 0 BGADHN CC(C)[C@H]1N(CC2(F)CC2)CC12CCCC2 ZINC000562659577 323026743 /nfs/dbraw/zinc/02/67/43/323026743.db2.gz NLSGIQCWSQNFEN-GFCCVEGCSA-N 0 3 225.351 3.389 20 0 BGADHN CC(C)[C@@H]1N(CC2(F)CC2)CC12CCCC2 ZINC000562659578 323026749 /nfs/dbraw/zinc/02/67/49/323026749.db2.gz NLSGIQCWSQNFEN-LBPRGKRZSA-N 0 3 225.351 3.389 20 0 BGADHN CCCc1ncc(CN[C@@H]2CC=C(C)CC2)o1 ZINC000562672290 323026746 /nfs/dbraw/zinc/02/67/46/323026746.db2.gz YASBRNKFUPWZAM-GFCCVEGCSA-N 0 3 234.343 3.216 20 0 BGADHN CCCc1ncc(CN[C@H]2CC=C(C)CC2)o1 ZINC000562672291 323026769 /nfs/dbraw/zinc/02/67/69/323026769.db2.gz YASBRNKFUPWZAM-LBPRGKRZSA-N 0 3 234.343 3.216 20 0 BGADHN CCCN(Cc1cnccn1)CC1CCCCC1 ZINC000562679083 323027310 /nfs/dbraw/zinc/02/73/10/323027310.db2.gz FSNGBBPUFIAGIT-UHFFFAOYSA-N 0 3 247.386 3.269 20 0 BGADHN C[C@H](CCC1CCCCC1)NCc1cnccn1 ZINC000562685982 323027568 /nfs/dbraw/zinc/02/75/68/323027568.db2.gz WOKVVZOZLONCEG-CYBMUJFWSA-N 0 3 247.386 3.315 20 0 BGADHN C[C@@H](CCC1CCCCC1)NCc1cnccn1 ZINC000562685983 323027727 /nfs/dbraw/zinc/02/77/27/323027727.db2.gz WOKVVZOZLONCEG-ZDUSSCGKSA-N 0 3 247.386 3.315 20 0 BGADHN CCC(C)(C)CCN1CC(C(F)(F)F)C1 ZINC000562696109 323028179 /nfs/dbraw/zinc/02/81/79/323028179.db2.gz PBYRWGDRKNXKDJ-UHFFFAOYSA-N 0 3 223.282 3.307 20 0 BGADHN FC(F)(F)C1CN(CC23CCC(CC2)C3)C1 ZINC000562696895 323028173 /nfs/dbraw/zinc/02/81/73/323028173.db2.gz LGHRXQALUMPTBA-UHFFFAOYSA-N 0 3 233.277 3.061 20 0 BGADHN CC[C@@H](NCc1ncccc1F)[C@@H]1CC1(C)C ZINC000562733902 323029416 /nfs/dbraw/zinc/02/94/16/323029416.db2.gz RONGFMPOEDVYRI-CMPLNLGQSA-N 0 3 236.334 3.135 20 0 BGADHN CC[C@H](NCc1ncccc1F)[C@@H]1CC1(C)C ZINC000562733903 323029356 /nfs/dbraw/zinc/02/93/56/323029356.db2.gz RONGFMPOEDVYRI-JQWIXIFHSA-N 0 3 236.334 3.135 20 0 BGADHN CC[C@H](NCc1ncccc1F)[C@H]1CC1(C)C ZINC000562733904 323029442 /nfs/dbraw/zinc/02/94/42/323029442.db2.gz RONGFMPOEDVYRI-PWSUYJOCSA-N 0 3 236.334 3.135 20 0 BGADHN CC[C@@H](NCc1ncccc1F)[C@H]1CC1(C)C ZINC000562733905 323029371 /nfs/dbraw/zinc/02/93/71/323029371.db2.gz RONGFMPOEDVYRI-ZYHUDNBSSA-N 0 3 236.334 3.135 20 0 BGADHN C[C@@H](NCC(C)(C)C(F)(F)F)c1ccccn1 ZINC000562744773 323029801 /nfs/dbraw/zinc/02/98/01/323029801.db2.gz SBHCZVDQRHOACF-SECBINFHSA-N 0 3 246.276 3.321 20 0 BGADHN C[C@H](NCC(C)(C)C(F)(F)F)c1ccccn1 ZINC000562744774 323029882 /nfs/dbraw/zinc/02/98/82/323029882.db2.gz SBHCZVDQRHOACF-VIFPVBQESA-N 0 3 246.276 3.321 20 0 BGADHN CC(C)(C)CCCN1CC[C@H](OC(F)F)C1 ZINC000562753506 323030024 /nfs/dbraw/zinc/03/00/24/323030024.db2.gz YIIYHWGTDWMLEC-JTQLQIEISA-N 0 3 235.318 3.126 20 0 BGADHN C[C@@H](NC[C@@H](C)C1CCCCC1)c1ccncn1 ZINC000562778957 323030472 /nfs/dbraw/zinc/03/04/72/323030472.db2.gz QJPOUCHMUPOSMO-CHWSQXEVSA-N 0 3 247.386 3.344 20 0 BGADHN C[C@H](CN[C@@H](C)c1ccncn1)C1CCCCC1 ZINC000562778958 323030560 /nfs/dbraw/zinc/03/05/60/323030560.db2.gz QJPOUCHMUPOSMO-OLZOCXBDSA-N 0 3 247.386 3.344 20 0 BGADHN C[C@@H](CN[C@H](C)c1ccncn1)C1CCCCC1 ZINC000562778959 323030412 /nfs/dbraw/zinc/03/04/12/323030412.db2.gz QJPOUCHMUPOSMO-QWHCGFSZSA-N 0 3 247.386 3.344 20 0 BGADHN C[C@@H](CN[C@@H](C)c1ccncn1)C1CCCCC1 ZINC000562778960 323030493 /nfs/dbraw/zinc/03/04/93/323030493.db2.gz QJPOUCHMUPOSMO-STQMWFEESA-N 0 3 247.386 3.344 20 0 BGADHN Fc1cccnc1CN[C@H](C1CC1)C1CCCC1 ZINC000562779493 323030542 /nfs/dbraw/zinc/03/05/42/323030542.db2.gz CFWWJJPBQDHCIS-HNNXBMFYSA-N 0 3 248.345 3.279 20 0 BGADHN Fc1cccnc1CN[C@@H](C1CC1)C1CCCC1 ZINC000562779497 323030450 /nfs/dbraw/zinc/03/04/50/323030450.db2.gz CFWWJJPBQDHCIS-OAHLLOKOSA-N 0 3 248.345 3.279 20 0 BGADHN CC(C)[C@@H](NCc1cnc(C2CC2)o1)C1CC1 ZINC000562782947 323030434 /nfs/dbraw/zinc/03/04/34/323030434.db2.gz AUSIJVCGCFFHIG-CYBMUJFWSA-N 0 3 234.343 3.076 20 0 BGADHN CC(C)[C@H](NCc1cnc(C2CC2)o1)C1CC1 ZINC000562782948 323030414 /nfs/dbraw/zinc/03/04/14/323030414.db2.gz AUSIJVCGCFFHIG-ZDUSSCGKSA-N 0 3 234.343 3.076 20 0 BGADHN CCN(CCC1CC1)Cc1ccc(Cl)cn1 ZINC000562905958 323033339 /nfs/dbraw/zinc/03/33/39/323033339.db2.gz MNURFSYIILCTMJ-UHFFFAOYSA-N 0 3 238.762 3.357 20 0 BGADHN F[C@]1(c2ccccc2)C[C@@H]1N[C@@H]1CCC[C@H]2C[C@H]21 ZINC000562968962 323075303 /nfs/dbraw/zinc/07/53/03/323075303.db2.gz IIFHDGAQNDKQAE-AMMHQNNLSA-N 0 3 245.341 3.402 20 0 BGADHN F[C@]1(c2ccccc2)C[C@H]1N[C@H]1CCC[C@H]2C[C@H]21 ZINC000562968963 323075292 /nfs/dbraw/zinc/07/52/92/323075292.db2.gz IIFHDGAQNDKQAE-HSZNGYFJSA-N 0 3 245.341 3.402 20 0 BGADHN F[C@]1(c2ccccc2)C[C@H]1N[C@@H]1CCC[C@H]2C[C@H]21 ZINC000562968964 323075305 /nfs/dbraw/zinc/07/53/05/323075305.db2.gz IIFHDGAQNDKQAE-LNNMMNKASA-N 0 3 245.341 3.402 20 0 BGADHN F[C@]1(c2ccccc2)C[C@@H]1N[C@H]1CCC[C@H]2C[C@H]21 ZINC000562968965 323075297 /nfs/dbraw/zinc/07/52/97/323075297.db2.gz IIFHDGAQNDKQAE-TXUJKZCJSA-N 0 3 245.341 3.402 20 0 BGADHN Cc1cnccc1CCN(C)Cc1cccs1 ZINC000563060907 323083704 /nfs/dbraw/zinc/08/37/04/323083704.db2.gz QKPCAHBSBPOLCG-UHFFFAOYSA-N 0 3 246.379 3.126 20 0 BGADHN CN(Cc1ccc(C(F)(F)F)cn1)C(C)(C)C ZINC000563082237 323089068 /nfs/dbraw/zinc/08/90/68/323089068.db2.gz WYAOUALZZVYPQH-UHFFFAOYSA-N 0 3 246.276 3.331 20 0 BGADHN COc1ccc(C)cc1CN(C)C(C)(C)C ZINC000563082252 323089096 /nfs/dbraw/zinc/08/90/96/323089096.db2.gz XMZLXRYDXUQWDQ-UHFFFAOYSA-N 0 3 221.344 3.234 20 0 BGADHN C[C@@H](N(C)Cc1cnc(C2CC2)nc1)C(C)(C)C ZINC000563090863 323091697 /nfs/dbraw/zinc/09/16/97/323091697.db2.gz GHDOSGLCDQHBHJ-LLVKDONJSA-N 0 3 247.386 3.220 20 0 BGADHN C[C@H](N(C)Cc1cnc(C2CC2)nc1)C(C)(C)C ZINC000563090866 323091625 /nfs/dbraw/zinc/09/16/25/323091625.db2.gz GHDOSGLCDQHBHJ-NSHDSACASA-N 0 3 247.386 3.220 20 0 BGADHN CC(C)(C)[C@@H]1CCCN(Cc2cnccn2)CC1 ZINC000563091252 323091747 /nfs/dbraw/zinc/09/17/47/323091747.db2.gz MIXADYAGZPXLBK-CYBMUJFWSA-N 0 3 247.386 3.125 20 0 BGADHN CC(C)(C)[C@H]1CCCN(Cc2cnccn2)CC1 ZINC000563091253 323091741 /nfs/dbraw/zinc/09/17/41/323091741.db2.gz MIXADYAGZPXLBK-ZDUSSCGKSA-N 0 3 247.386 3.125 20 0 BGADHN CC(C)(CNCc1cnccn1)C1=CCCCC1 ZINC000563111355 323093019 /nfs/dbraw/zinc/09/30/19/323093019.db2.gz AOPHLALQLOQSQM-UHFFFAOYSA-N 0 3 245.370 3.093 20 0 BGADHN Fc1ccccc1CN[C@H]1CCC[C@@H](F)C1 ZINC000563123268 323094135 /nfs/dbraw/zinc/09/41/35/323094135.db2.gz SOZQMGLFMABWDO-NEPJUHHUSA-N 0 3 225.282 3.196 20 0 BGADHN Fc1ccccc1CN[C@@H]1CCC[C@H](F)C1 ZINC000563123272 323094058 /nfs/dbraw/zinc/09/40/58/323094058.db2.gz SOZQMGLFMABWDO-NWDGAFQWSA-N 0 3 225.282 3.196 20 0 BGADHN Fc1ccccc1CN[C@H]1CCC[C@H](F)C1 ZINC000563123274 323094138 /nfs/dbraw/zinc/09/41/38/323094138.db2.gz SOZQMGLFMABWDO-RYUDHWBXSA-N 0 3 225.282 3.196 20 0 BGADHN Fc1ccccc1CN[C@@H]1CCC[C@@H](F)C1 ZINC000563123276 323094125 /nfs/dbraw/zinc/09/41/25/323094125.db2.gz SOZQMGLFMABWDO-VXGBXAGGSA-N 0 3 225.282 3.196 20 0 BGADHN CCC[C@H]1CCCC[C@H]1NCc1cnc(C)o1 ZINC000563136619 323094735 /nfs/dbraw/zinc/09/47/35/323094735.db2.gz YTAHQZGOWFNKOV-GXTWGEPZSA-N 0 3 236.359 3.432 20 0 BGADHN CCC[C@H]1CCCC[C@@H]1NCc1cnc(C)o1 ZINC000563136620 323094855 /nfs/dbraw/zinc/09/48/55/323094855.db2.gz YTAHQZGOWFNKOV-JSGCOSHPSA-N 0 3 236.359 3.432 20 0 BGADHN CCC[C@@H]1CCCC[C@@H]1NCc1cnc(C)o1 ZINC000563136621 323094795 /nfs/dbraw/zinc/09/47/95/323094795.db2.gz YTAHQZGOWFNKOV-OCCSQVGLSA-N 0 3 236.359 3.432 20 0 BGADHN CCC[C@@H]1CCCC[C@H]1NCc1cnc(C)o1 ZINC000563136622 323094814 /nfs/dbraw/zinc/09/48/14/323094814.db2.gz YTAHQZGOWFNKOV-TZMCWYRMSA-N 0 3 236.359 3.432 20 0 BGADHN C[C@H](CCC1CCCC1)NCc1ccno1 ZINC000563151287 323095580 /nfs/dbraw/zinc/09/55/80/323095580.db2.gz VCDCTQTYQIIAMA-LLVKDONJSA-N 0 3 222.332 3.123 20 0 BGADHN C[C@@H](CCC1CCCC1)NCc1ccno1 ZINC000563151288 323095634 /nfs/dbraw/zinc/09/56/34/323095634.db2.gz VCDCTQTYQIIAMA-NSHDSACASA-N 0 3 222.332 3.123 20 0 BGADHN FCC1(NC2CC(c3ccccc3)C2)CCC1 ZINC000563158597 323096803 /nfs/dbraw/zinc/09/68/03/323096803.db2.gz SBIRGENAUIKGBH-UHFFFAOYSA-N 0 3 233.330 3.414 20 0 BGADHN Fc1ccccc1CN1CC[C@H](CC2CC2)C1 ZINC000563246379 323106616 /nfs/dbraw/zinc/10/66/16/323106616.db2.gz BTPSRADUNJZMMK-CYBMUJFWSA-N 0 3 233.330 3.448 20 0 BGADHN Fc1ccccc1CN1CC[C@@H](CC2CC2)C1 ZINC000563246380 323106593 /nfs/dbraw/zinc/10/65/93/323106593.db2.gz BTPSRADUNJZMMK-ZDUSSCGKSA-N 0 3 233.330 3.448 20 0 BGADHN COc1ccc(CN[C@@H]2C=CCCC2)c(F)c1 ZINC000563251801 323106762 /nfs/dbraw/zinc/10/67/62/323106762.db2.gz FUFDFKGRGZWUKN-GFCCVEGCSA-N 0 3 235.302 3.033 20 0 BGADHN COc1ccc(CN[C@H]2C=CCCC2)c(F)c1 ZINC000563251802 323106775 /nfs/dbraw/zinc/10/67/75/323106775.db2.gz FUFDFKGRGZWUKN-LBPRGKRZSA-N 0 3 235.302 3.033 20 0 BGADHN COc1ccc(CN2CCC(C)(C)C2)c(F)c1 ZINC000563253230 323106842 /nfs/dbraw/zinc/10/68/42/323106842.db2.gz QUDGISRSMJMGLF-UHFFFAOYSA-N 0 3 237.318 3.066 20 0 BGADHN COc1ccc(CN2C[C@@H]3CCC[C@H]3C2)c(F)c1 ZINC000563254950 323106869 /nfs/dbraw/zinc/10/68/69/323106869.db2.gz XLWUVTHTOPCDHL-RYUDHWBXSA-N 0 3 249.329 3.066 20 0 BGADHN COc1ccc(CN2C[C@@H]3CCC[C@@H]3C2)c(F)c1 ZINC000563254953 323106909 /nfs/dbraw/zinc/10/69/09/323106909.db2.gz XLWUVTHTOPCDHL-TXEJJXNPSA-N 0 3 249.329 3.066 20 0 BGADHN COc1ccc(CN2C[C@H]3CCC[C@@H]3C2)c(F)c1 ZINC000563254955 323106891 /nfs/dbraw/zinc/10/68/91/323106891.db2.gz XLWUVTHTOPCDHL-VXGBXAGGSA-N 0 3 249.329 3.066 20 0 BGADHN CCc1cccc(CN[C@@H]2C[C@H]2c2ccco2)c1 ZINC000563257539 323106983 /nfs/dbraw/zinc/10/69/83/323106983.db2.gz LKGUAQSGQKPBPR-HUUCEWRRSA-N 0 3 241.334 3.488 20 0 BGADHN CC[C@]1(C)CCN(Cc2c(C)nsc2C)C1 ZINC000563351937 350823035 /nfs/dbraw/zinc/82/30/35/350823035.db2.gz COLSKCCFKLIIHC-CYBMUJFWSA-N 0 3 238.400 3.382 20 0 BGADHN CC[C@@]1(C)CCN(Cc2c(C)nsc2C)C1 ZINC000563351938 350822947 /nfs/dbraw/zinc/82/29/47/350822947.db2.gz COLSKCCFKLIIHC-ZDUSSCGKSA-N 0 3 238.400 3.382 20 0 BGADHN Cc1nsc(C)c1CN1CC[C@@H](C)C[C@H]1C ZINC000563368041 323121592 /nfs/dbraw/zinc/12/15/92/323121592.db2.gz ZICKVSCVMMXATQ-NXEZZACHSA-N 0 3 238.400 3.380 20 0 BGADHN CCCN(Cc1nc2ccccc2n1C)C(C)C ZINC000563368190 350825441 /nfs/dbraw/zinc/82/54/41/350825441.db2.gz UFCQUCMKHVAZFX-UHFFFAOYSA-N 0 3 245.370 3.194 20 0 BGADHN CCOC1CC(COc2cc(C)nc(C)c2C)C1 ZINC000563416977 323123607 /nfs/dbraw/zinc/12/36/07/323123607.db2.gz MUHNDIYHHQCJBP-UHFFFAOYSA-N 0 3 249.354 3.201 20 0 BGADHN C[C@H]1CCCC[C@@H]1NCc1noc2ccccc21 ZINC000563417228 323123609 /nfs/dbraw/zinc/12/36/09/323123609.db2.gz KNPOQEYQLBCRCP-AAEUAGOBSA-N 0 3 244.338 3.496 20 0 BGADHN C[C@@H]1CCCC[C@H]1NCc1noc2ccccc21 ZINC000563417229 323123707 /nfs/dbraw/zinc/12/37/07/323123707.db2.gz KNPOQEYQLBCRCP-DGCLKSJQSA-N 0 3 244.338 3.496 20 0 BGADHN C[C@H]1CCCC[C@H]1NCc1noc2ccccc21 ZINC000563417230 323123669 /nfs/dbraw/zinc/12/36/69/323123669.db2.gz KNPOQEYQLBCRCP-WCQYABFASA-N 0 3 244.338 3.496 20 0 BGADHN C[C@@H]1CCCC[C@@H]1NCc1noc2ccccc21 ZINC000563417231 323123655 /nfs/dbraw/zinc/12/36/55/323123655.db2.gz KNPOQEYQLBCRCP-YPMHNXCESA-N 0 3 244.338 3.496 20 0 BGADHN F[C@@H]1CCC[C@@H]1NCc1ccc2[nH]ccc2c1 ZINC000563419490 323123937 /nfs/dbraw/zinc/12/39/37/323123937.db2.gz XKLDYDXQFCGCHB-OCCSQVGLSA-N 0 3 232.302 3.148 20 0 BGADHN C[C@@H]1CCCC[C@@H]1Cn1cc2c(n1)[C@@H](N)CCC2 ZINC000563434145 323125290 /nfs/dbraw/zinc/12/52/90/323125290.db2.gz YIBKMEGMPNQSPU-BZPMIXESSA-N 0 3 247.386 3.046 20 0 BGADHN C[C@@H]1CCCC[C@H]1Cn1cc2c(n1)[C@@H](N)CCC2 ZINC000563434146 323125408 /nfs/dbraw/zinc/12/54/08/323125408.db2.gz YIBKMEGMPNQSPU-DYEKYZERSA-N 0 3 247.386 3.046 20 0 BGADHN C[C@@H]1CCCC[C@H]1Cn1cc2c(n1)[C@H](N)CCC2 ZINC000563434147 323125374 /nfs/dbraw/zinc/12/53/74/323125374.db2.gz YIBKMEGMPNQSPU-MBNYWOFBSA-N 0 3 247.386 3.046 20 0 BGADHN C[C@@H]1CCCC[C@@H]1Cn1cc2c(n1)[C@H](N)CCC2 ZINC000563434148 323125320 /nfs/dbraw/zinc/12/53/20/323125320.db2.gz YIBKMEGMPNQSPU-YRGRVCCFSA-N 0 3 247.386 3.046 20 0 BGADHN Cc1nc(CNCC2(C)CCCCC2)[nH]c1C ZINC000563439676 323125822 /nfs/dbraw/zinc/12/58/22/323125822.db2.gz HHXSDBDKRQNNER-UHFFFAOYSA-N 0 3 235.375 3.087 20 0 BGADHN Fc1c(Cl)cccc1CN[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000563443182 323126834 /nfs/dbraw/zinc/12/68/34/323126834.db2.gz QHKZULUZPMDLJM-DDFAGTSDSA-N 0 3 239.721 3.367 20 0 BGADHN c1c2ccccc2oc1CN[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000563443663 323126893 /nfs/dbraw/zinc/12/68/93/323126893.db2.gz VVMICNOMFSQABK-AGGWBTHJSA-N 0 3 227.307 3.321 20 0 BGADHN c1c2ccccc2oc1CN[C@H]1[C@@H]2CCC[C@@H]21 ZINC000563443664 323126865 /nfs/dbraw/zinc/12/68/65/323126865.db2.gz VVMICNOMFSQABK-NHAGDIPZSA-N 0 3 227.307 3.321 20 0 BGADHN CO[C@@H](CN1CCC(C)=C(C)C1)c1ccccc1 ZINC000563463133 323127461 /nfs/dbraw/zinc/12/74/61/323127461.db2.gz HCQOIGPGWDLESE-INIZCTEOSA-N 0 3 245.366 3.416 20 0 BGADHN CO[C@H](CN1CCC(C)=C(C)C1)c1ccccc1 ZINC000563463134 323127392 /nfs/dbraw/zinc/12/73/92/323127392.db2.gz HCQOIGPGWDLESE-MRXNPFEDSA-N 0 3 245.366 3.416 20 0 BGADHN CN(Cc1ccnc2ccccc12)[C@H]1CC1(C)C ZINC000563496553 323128115 /nfs/dbraw/zinc/12/81/15/323128115.db2.gz ALCHYQLSDSDNMF-HNNXBMFYSA-N 0 3 240.350 3.465 20 0 BGADHN CN(Cc1ccnc2ccccc12)[C@@H]1CC1(C)C ZINC000563496554 323128094 /nfs/dbraw/zinc/12/80/94/323128094.db2.gz ALCHYQLSDSDNMF-OAHLLOKOSA-N 0 3 240.350 3.465 20 0 BGADHN CCC(C)(C)[C@@H](C)NCc1cnccc1OC ZINC000563510439 323128250 /nfs/dbraw/zinc/12/82/50/323128250.db2.gz KQNHADIOPJJKNX-LLVKDONJSA-N 0 3 236.359 3.005 20 0 BGADHN CCC(C)(C)[C@H](C)NCc1cnccc1OC ZINC000563510440 323128300 /nfs/dbraw/zinc/12/83/00/323128300.db2.gz KQNHADIOPJJKNX-NSHDSACASA-N 0 3 236.359 3.005 20 0 BGADHN CC[C@@H](C)N1CCC(CC(F)(F)F)CC1 ZINC000563554370 323130221 /nfs/dbraw/zinc/13/02/21/323130221.db2.gz MAJOONJBKWDBCB-SECBINFHSA-N 0 3 223.282 3.449 20 0 BGADHN CC[C@H](C)N1CCC(CC(F)(F)F)CC1 ZINC000563554371 323130223 /nfs/dbraw/zinc/13/02/23/323130223.db2.gz MAJOONJBKWDBCB-VIFPVBQESA-N 0 3 223.282 3.449 20 0 BGADHN CC(C)n1ccc(CN[C@H]2CCCC23CCC3)n1 ZINC000563594593 323131068 /nfs/dbraw/zinc/13/10/68/323131068.db2.gz CYFLTZVWCUIDJV-AWEZNQCLSA-N 0 3 247.386 3.276 20 0 BGADHN CC(C)n1ccc(CN[C@@H]2CCCC23CCC3)n1 ZINC000563594594 323131055 /nfs/dbraw/zinc/13/10/55/323131055.db2.gz CYFLTZVWCUIDJV-CQSZACIVSA-N 0 3 247.386 3.276 20 0 BGADHN F[C@@]1(c2ccccc2)C[C@H]1NC(C1CC1)C1CC1 ZINC000563701344 323174275 /nfs/dbraw/zinc/17/42/75/323174275.db2.gz PUMQSJOHQJJGQA-GDBMZVCRSA-N 0 3 245.341 3.402 20 0 BGADHN F[C@@]1(c2ccccc2)C[C@@H]1NC(C1CC1)C1CC1 ZINC000563701380 323174268 /nfs/dbraw/zinc/17/42/68/323174268.db2.gz PUMQSJOHQJJGQA-GOEBONIOSA-N 0 3 245.341 3.402 20 0 BGADHN F[C@]1(c2ccccc2)C[C@@H]1NC(C1CC1)C1CC1 ZINC000563701382 323174265 /nfs/dbraw/zinc/17/42/65/323174265.db2.gz PUMQSJOHQJJGQA-HOCLYGCPSA-N 0 3 245.341 3.402 20 0 BGADHN F[C@]1(c2ccccc2)C[C@H]1NC(C1CC1)C1CC1 ZINC000563701383 323174260 /nfs/dbraw/zinc/17/42/60/323174260.db2.gz PUMQSJOHQJJGQA-ZBFHGGJFSA-N 0 3 245.341 3.402 20 0 BGADHN CC(C)C[C@@H](C)C[C@H](C)NCc1ccno1 ZINC000563713328 323175059 /nfs/dbraw/zinc/17/50/59/323175059.db2.gz IMNXJJDUEIXIBD-NEPJUHHUSA-N 0 3 224.348 3.225 20 0 BGADHN CC(C)C[C@H](C)C[C@@H](C)NCc1ccno1 ZINC000563713353 323175067 /nfs/dbraw/zinc/17/50/67/323175067.db2.gz IMNXJJDUEIXIBD-NWDGAFQWSA-N 0 3 224.348 3.225 20 0 BGADHN CC(C)C[C@H](C)C[C@H](C)NCc1ccno1 ZINC000563713354 323175087 /nfs/dbraw/zinc/17/50/87/323175087.db2.gz IMNXJJDUEIXIBD-RYUDHWBXSA-N 0 3 224.348 3.225 20 0 BGADHN CC(C)C[C@@H](C)C[C@@H](C)NCc1ccno1 ZINC000563713355 323175046 /nfs/dbraw/zinc/17/50/46/323175046.db2.gz IMNXJJDUEIXIBD-VXGBXAGGSA-N 0 3 224.348 3.225 20 0 BGADHN CN(Cc1ccco1)CC1Cc2ccccc2C1 ZINC000563791189 353517535 /nfs/dbraw/zinc/51/75/35/353517535.db2.gz QTYLYNXLTYXQDO-UHFFFAOYSA-N 0 3 241.334 3.126 20 0 BGADHN COc1cc([C@H](C)N[C@@H]2C[C@H]2CC(C)C)ccn1 ZINC000563820703 323179158 /nfs/dbraw/zinc/17/91/58/323179158.db2.gz KSTZCTVLRIZDBD-IACUBPJLSA-N 0 3 248.370 3.175 20 0 BGADHN COc1cc([C@@H](C)N[C@@H]2C[C@H]2CC(C)C)ccn1 ZINC000563820704 323179188 /nfs/dbraw/zinc/17/91/88/323179188.db2.gz KSTZCTVLRIZDBD-MRVWCRGKSA-N 0 3 248.370 3.175 20 0 BGADHN C[C@H](N[C@H]1c2ccc(F)cc2O[C@H]1C)C1CCC1 ZINC000563841158 323180244 /nfs/dbraw/zinc/18/02/44/323180244.db2.gz IWNBIFPZZBUSMA-AMJWSMQMSA-N 0 3 249.329 3.426 20 0 BGADHN C[C@H](N[C@H]1c2ccc(F)cc2O[C@@H]1C)C1CCC1 ZINC000563841163 323180266 /nfs/dbraw/zinc/18/02/66/323180266.db2.gz IWNBIFPZZBUSMA-FEUHOPSXSA-N 0 3 249.329 3.426 20 0 BGADHN C[C@H](N[C@@H]1c2ccc(F)cc2O[C@@H]1C)C1CCC1 ZINC000563841412 323180343 /nfs/dbraw/zinc/18/03/43/323180343.db2.gz IWNBIFPZZBUSMA-WMFXKJRFSA-N 0 3 249.329 3.426 20 0 BGADHN C[C@H](N[C@@H]1c2ccc(F)cc2O[C@H]1C)C1CCC1 ZINC000563841414 323180308 /nfs/dbraw/zinc/18/03/08/323180308.db2.gz IWNBIFPZZBUSMA-YHAQOWFVSA-N 0 3 249.329 3.426 20 0 BGADHN CC(C)(C)C1CCN(CC2(F)CC2)CC1 ZINC000563850277 323180820 /nfs/dbraw/zinc/18/08/20/323180820.db2.gz VBUMCSXPGPCNEL-UHFFFAOYSA-N 0 3 213.340 3.247 20 0 BGADHN Cc1ccc2nccc(NC[C@@H]3C[C@H]3C)c2c1 ZINC000563877728 323182438 /nfs/dbraw/zinc/18/24/38/323182438.db2.gz IDDXYOVHBJKKPR-NEPJUHHUSA-N 0 3 226.323 3.033 20 0 BGADHN Cc1ccc2nccc(NC[C@H]3C[C@@H]3C)c2c1 ZINC000563877729 323182445 /nfs/dbraw/zinc/18/24/45/323182445.db2.gz IDDXYOVHBJKKPR-NWDGAFQWSA-N 0 3 226.323 3.033 20 0 BGADHN Cc1ccc2nccc(NC[C@@H]3C[C@@H]3C)c2c1 ZINC000563877730 323182436 /nfs/dbraw/zinc/18/24/36/323182436.db2.gz IDDXYOVHBJKKPR-RYUDHWBXSA-N 0 3 226.323 3.033 20 0 BGADHN Cc1ccc2nccc(NC[C@H]3C[C@H]3C)c2c1 ZINC000563877731 323182425 /nfs/dbraw/zinc/18/24/25/323182425.db2.gz IDDXYOVHBJKKPR-VXGBXAGGSA-N 0 3 226.323 3.033 20 0 BGADHN CCCC[C@@H](C)NCc1noc2ccccc12 ZINC000563897981 398307810 /nfs/dbraw/zinc/30/78/10/398307810.db2.gz BBSYDSUIWYTIDW-LLVKDONJSA-N 0 3 232.327 3.496 20 0 BGADHN CCCC[C@H](C)NCc1noc2ccccc12 ZINC000563897984 323206120 /nfs/dbraw/zinc/20/61/20/323206120.db2.gz BBSYDSUIWYTIDW-NSHDSACASA-N 0 3 232.327 3.496 20 0 BGADHN CC(C)[C@@H]1CC[C@@H]1NCc1noc2ccccc21 ZINC000563898549 323207874 /nfs/dbraw/zinc/20/78/74/323207874.db2.gz MCJBBJPDQXKPCB-AAEUAGOBSA-N 0 3 244.338 3.352 20 0 BGADHN CC(C)[C@H]1CC[C@H]1NCc1noc2ccccc21 ZINC000563898555 323208036 /nfs/dbraw/zinc/20/80/36/323208036.db2.gz MCJBBJPDQXKPCB-DGCLKSJQSA-N 0 3 244.338 3.352 20 0 BGADHN CC(C)[C@@H]1CC[C@H]1NCc1noc2ccccc21 ZINC000563898556 323208045 /nfs/dbraw/zinc/20/80/45/323208045.db2.gz MCJBBJPDQXKPCB-WCQYABFASA-N 0 3 244.338 3.352 20 0 BGADHN CC(C)[C@H]1CC[C@@H]1NCc1noc2ccccc21 ZINC000563898557 323208029 /nfs/dbraw/zinc/20/80/29/323208029.db2.gz MCJBBJPDQXKPCB-YPMHNXCESA-N 0 3 244.338 3.352 20 0 BGADHN Cc1nc(CN[C@@H]2CCCCC2(C)C)[nH]c1C ZINC000563976069 323337251 /nfs/dbraw/zinc/33/72/51/323337251.db2.gz OORONWZEAMSLBW-GFCCVEGCSA-N 0 3 235.375 3.085 20 0 BGADHN Cc1nc(CN[C@H]2CCCCC2(C)C)[nH]c1C ZINC000563976077 323337945 /nfs/dbraw/zinc/33/79/45/323337945.db2.gz OORONWZEAMSLBW-LBPRGKRZSA-N 0 3 235.375 3.085 20 0 BGADHN CCC[C@H](NCc1nc(C)c(C)[nH]1)C1CCCC1 ZINC000563976673 323338348 /nfs/dbraw/zinc/33/83/48/323338348.db2.gz ZKEXICQLNLSMLF-AWEZNQCLSA-N 0 3 249.402 3.475 20 0 BGADHN CCC[C@@H](NCc1nc(C)c(C)[nH]1)C1CCCC1 ZINC000563976685 323338179 /nfs/dbraw/zinc/33/81/79/323338179.db2.gz ZKEXICQLNLSMLF-CQSZACIVSA-N 0 3 249.402 3.475 20 0 BGADHN CC[C@H]1CCCC[C@@H]1N(C)Cc1cocn1 ZINC000564007178 323348671 /nfs/dbraw/zinc/34/86/71/323348671.db2.gz WTUHILGARFDQQB-AAEUAGOBSA-N 0 3 222.332 3.075 20 0 BGADHN CC[C@@H]1CCCC[C@H]1N(C)Cc1cocn1 ZINC000564007179 323348660 /nfs/dbraw/zinc/34/86/60/323348660.db2.gz WTUHILGARFDQQB-DGCLKSJQSA-N 0 3 222.332 3.075 20 0 BGADHN CC[C@H]1CCCC[C@H]1N(C)Cc1cocn1 ZINC000564007180 323348615 /nfs/dbraw/zinc/34/86/15/323348615.db2.gz WTUHILGARFDQQB-WCQYABFASA-N 0 3 222.332 3.075 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1N(C)Cc1cocn1 ZINC000564007181 323348622 /nfs/dbraw/zinc/34/86/22/323348622.db2.gz WTUHILGARFDQQB-YPMHNXCESA-N 0 3 222.332 3.075 20 0 BGADHN Cc1nsc(C)c1CN(C)CC1CCCC1 ZINC000564035660 387805251 /nfs/dbraw/zinc/80/52/51/387805251.db2.gz XPZBGFGKMPQFRJ-UHFFFAOYSA-N 0 3 238.400 3.382 20 0 BGADHN CCCC1(CNCc2ccc3c(n2)CCC3)CC1 ZINC000564054270 323418484 /nfs/dbraw/zinc/41/84/84/323418484.db2.gz BJHGQHRZSXWTBF-UHFFFAOYSA-N 0 3 244.382 3.240 20 0 BGADHN COCC1(NCc2csc(C)c2)CCCC1 ZINC000564100207 358861028 /nfs/dbraw/zinc/86/10/28/358861028.db2.gz CEIHTOPRQLARAX-UHFFFAOYSA-N 0 3 239.384 3.105 20 0 BGADHN Cc1cc(C)c(CN[C@H]2C[C@@H]2C(F)F)cc1C ZINC000564119771 323432617 /nfs/dbraw/zinc/43/26/17/323432617.db2.gz ZBFNISKCQGBCMX-STQMWFEESA-N 0 3 239.309 3.355 20 0 BGADHN FC(F)c1ccc(CN[C@H]2C[C@@H]2C(F)F)cc1 ZINC000564128381 388028174 /nfs/dbraw/zinc/02/81/74/388028174.db2.gz FNIKLTFRVCRCFB-UWVGGRQHSA-N 0 3 247.235 3.367 20 0 BGADHN CC[C@H]1CCC[C@@H]1NCc1nccn1CC(C)C ZINC000564145638 324177533 /nfs/dbraw/zinc/17/75/33/324177533.db2.gz LMCOQHUVCDWFLZ-KBPBESRZSA-N 0 3 249.402 3.207 20 0 BGADHN CC[C@@H]1CCC[C@@H]1NCc1nccn1CC(C)C ZINC000564145639 324177316 /nfs/dbraw/zinc/17/73/16/324177316.db2.gz LMCOQHUVCDWFLZ-KGLIPLIRSA-N 0 3 249.402 3.207 20 0 BGADHN CC[C@H]1CCC[C@H]1NCc1nccn1CC(C)C ZINC000564145640 324177529 /nfs/dbraw/zinc/17/75/29/324177529.db2.gz LMCOQHUVCDWFLZ-UONOGXRCSA-N 0 3 249.402 3.207 20 0 BGADHN CC[C@@H]1CCC[C@H]1NCc1nccn1CC(C)C ZINC000564145641 324177042 /nfs/dbraw/zinc/17/70/42/324177042.db2.gz LMCOQHUVCDWFLZ-ZIAGYGMSSA-N 0 3 249.402 3.207 20 0 BGADHN CCO[C@@H]1C[C@@H]1N[C@@H](C)c1ccc(C)c(C)c1 ZINC000564164230 324187120 /nfs/dbraw/zinc/18/71/20/324187120.db2.gz PJHDAXPOKMBSDV-AEGPPILISA-N 0 3 233.355 3.131 20 0 BGADHN CCO[C@@H]1C[C@H]1N[C@H](C)c1ccc(C)c(C)c1 ZINC000564164244 324187114 /nfs/dbraw/zinc/18/71/14/324187114.db2.gz PJHDAXPOKMBSDV-BPLDGKMQSA-N 0 3 233.355 3.131 20 0 BGADHN CCO[C@@H]1C[C@H]1N[C@@H](C)c1ccc(C)c(C)c1 ZINC000564164247 324187238 /nfs/dbraw/zinc/18/72/38/324187238.db2.gz PJHDAXPOKMBSDV-NWANDNLSSA-N 0 3 233.355 3.131 20 0 BGADHN CCO[C@@H]1C[C@@H]1N[C@H](C)c1ccc(C)c(C)c1 ZINC000564164251 324187378 /nfs/dbraw/zinc/18/73/78/324187378.db2.gz PJHDAXPOKMBSDV-VHDGCEQUSA-N 0 3 233.355 3.131 20 0 BGADHN CCN1CCC(=Cc2cccc(F)c2)CC1 ZINC000564220242 388766391 /nfs/dbraw/zinc/76/63/91/388766391.db2.gz LQWVCKFWQLKMML-UHFFFAOYSA-N 0 3 219.303 3.325 20 0 BGADHN CCO[C@@H]1C[C@@H]1N[C@@H](C)c1ccc(C)cc1C ZINC000564285109 325184638 /nfs/dbraw/zinc/18/46/38/325184638.db2.gz IUJVBJYNQQTJSG-AEGPPILISA-N 0 3 233.355 3.131 20 0 BGADHN CCO[C@@H]1C[C@H]1N[C@H](C)c1ccc(C)cc1C ZINC000564285110 325184439 /nfs/dbraw/zinc/18/44/39/325184439.db2.gz IUJVBJYNQQTJSG-BPLDGKMQSA-N 0 3 233.355 3.131 20 0 BGADHN CCO[C@@H]1C[C@H]1N[C@@H](C)c1ccc(C)cc1C ZINC000564285111 325184836 /nfs/dbraw/zinc/18/48/36/325184836.db2.gz IUJVBJYNQQTJSG-NWANDNLSSA-N 0 3 233.355 3.131 20 0 BGADHN CCO[C@@H]1C[C@@H]1N[C@H](C)c1ccc(C)cc1C ZINC000564285112 325184713 /nfs/dbraw/zinc/18/47/13/325184713.db2.gz IUJVBJYNQQTJSG-VHDGCEQUSA-N 0 3 233.355 3.131 20 0 BGADHN C/C(=C/c1ccccc1)CN(C)[C@H]1CCCOC1 ZINC000564310641 325315059 /nfs/dbraw/zinc/31/50/59/325315059.db2.gz ZADINEVETKZXTI-QBOMHBFWSA-N 0 3 245.366 3.201 20 0 BGADHN C/C(=C/c1ccccc1)CN(C)[C@@H]1CCCOC1 ZINC000564310642 325315068 /nfs/dbraw/zinc/31/50/68/325315068.db2.gz ZADINEVETKZXTI-SYCZXOQXSA-N 0 3 245.366 3.201 20 0 BGADHN C/C(=C\c1ccccc1)CN(C)[C@H]1CCCOC1 ZINC000564310643 325315213 /nfs/dbraw/zinc/31/52/13/325315213.db2.gz ZADINEVETKZXTI-UKYUDJEDSA-N 0 3 245.366 3.201 20 0 BGADHN C/C(=C\c1ccccc1)CN(C)[C@@H]1CCCOC1 ZINC000564310644 325314926 /nfs/dbraw/zinc/31/49/26/325314926.db2.gz ZADINEVETKZXTI-WSYSLRRZSA-N 0 3 245.366 3.201 20 0 BGADHN C[C@H](CN1CCC[C@@H](F)C1)c1ccc(F)cc1 ZINC000564337731 388504626 /nfs/dbraw/zinc/50/46/26/388504626.db2.gz UAMBJRHFSMETBA-BXUZGUMPSA-N 0 3 239.309 3.363 20 0 BGADHN C[C@@H](CN1CCC[C@H](F)C1)c1ccc(F)cc1 ZINC000564337741 388504492 /nfs/dbraw/zinc/50/44/92/388504492.db2.gz UAMBJRHFSMETBA-FZMZJTMJSA-N 0 3 239.309 3.363 20 0 BGADHN C[C@H](CN1CCC[C@H](F)C1)c1ccc(F)cc1 ZINC000564337742 388504445 /nfs/dbraw/zinc/50/44/45/388504445.db2.gz UAMBJRHFSMETBA-RISCZKNCSA-N 0 3 239.309 3.363 20 0 BGADHN C[C@@H](CN1CCC[C@@H](F)C1)c1ccc(F)cc1 ZINC000564337743 388503720 /nfs/dbraw/zinc/50/37/20/388503720.db2.gz UAMBJRHFSMETBA-SMDDNHRTSA-N 0 3 239.309 3.363 20 0 BGADHN CC[C@@H](C)C[C@@H](C)NCc1ccc2c(n1)CCC2 ZINC000564421597 323034973 /nfs/dbraw/zinc/03/49/73/323034973.db2.gz LNNFPEXLWYUSFB-CHWSQXEVSA-N 0 3 246.398 3.485 20 0 BGADHN CC[C@@H](C)C[C@H](C)NCc1ccc2c(n1)CCC2 ZINC000564421600 323034964 /nfs/dbraw/zinc/03/49/64/323034964.db2.gz LNNFPEXLWYUSFB-OLZOCXBDSA-N 0 3 246.398 3.485 20 0 BGADHN CC[C@H](C)C[C@@H](C)NCc1ccc2c(n1)CCC2 ZINC000564421607 323035075 /nfs/dbraw/zinc/03/50/75/323035075.db2.gz LNNFPEXLWYUSFB-QWHCGFSZSA-N 0 3 246.398 3.485 20 0 BGADHN CC[C@H](C)C[C@H](C)NCc1ccc2c(n1)CCC2 ZINC000564421609 323035085 /nfs/dbraw/zinc/03/50/85/323035085.db2.gz LNNFPEXLWYUSFB-STQMWFEESA-N 0 3 246.398 3.485 20 0 BGADHN CC1CCC(NCc2noc3ccccc32)CC1 ZINC000564469906 384188765 /nfs/dbraw/zinc/18/87/65/384188765.db2.gz GQIQFYSEFRUKCB-UHFFFAOYSA-N 0 3 244.338 3.496 20 0 BGADHN C[C@H]1c2ccsc2CCN1CC1(C)CC1 ZINC000564496319 384295722 /nfs/dbraw/zinc/29/57/22/384295722.db2.gz JTFQRNAKYNLMNJ-JTQLQIEISA-N 0 3 221.369 3.467 20 0 BGADHN C[C@@H]1c2ccsc2CCN1CC1(C)CC1 ZINC000564496327 384295996 /nfs/dbraw/zinc/29/59/96/384295996.db2.gz JTFQRNAKYNLMNJ-SNVBAGLBSA-N 0 3 221.369 3.467 20 0 BGADHN CC1(F)CC(NCc2cnc(C3CC3)s2)C1 ZINC000564530396 323013014 /nfs/dbraw/zinc/01/30/14/323013014.db2.gz UFUODCVQTFPCOX-UHFFFAOYSA-N 0 3 240.347 3.001 20 0 BGADHN C[C@H]1CCN(CCc2ccc(F)cc2Cl)C1 ZINC000564530531 388878007 /nfs/dbraw/zinc/87/80/07/388878007.db2.gz CLTICYPJHBZSCQ-JTQLQIEISA-N 0 3 241.737 3.363 20 0 BGADHN C[C@@H]1CCN(CCc2ccc(F)cc2Cl)C1 ZINC000564530532 388878124 /nfs/dbraw/zinc/87/81/24/388878124.db2.gz CLTICYPJHBZSCQ-SNVBAGLBSA-N 0 3 241.737 3.363 20 0 BGADHN CN(Cc1cccc(O)c1)CC1=CCCCC1 ZINC000564705765 384556254 /nfs/dbraw/zinc/55/62/54/384556254.db2.gz DCNYFGIOXKBIMO-UHFFFAOYSA-N 0 3 231.339 3.324 20 0 BGADHN CC(F)(F)CCN1CCC[C@@H]1c1ccccn1 ZINC000564705961 388884846 /nfs/dbraw/zinc/88/48/46/388884846.db2.gz YUVAVJZFQXWEOU-GFCCVEGCSA-N 0 3 240.297 3.264 20 0 BGADHN CC(F)(F)CCN1CCC[C@H]1c1ccccn1 ZINC000564705962 388885659 /nfs/dbraw/zinc/88/56/59/388885659.db2.gz YUVAVJZFQXWEOU-LBPRGKRZSA-N 0 3 240.297 3.264 20 0 BGADHN C1=C(CCNCc2ccc3c(n2)CCC3)CCC1 ZINC000564710331 323001541 /nfs/dbraw/zinc/00/15/41/323001541.db2.gz GTRYYMIHYNTNOQ-UHFFFAOYSA-N 0 3 242.366 3.160 20 0 BGADHN C[C@H](N(C)Cc1ccc(F)cn1)C(C)(C)C ZINC000564713100 388886054 /nfs/dbraw/zinc/88/60/54/388886054.db2.gz ZAJBBLMPHBFCIK-JTQLQIEISA-N 0 3 224.323 3.087 20 0 BGADHN C[C@@H](N(C)Cc1ccc(F)cn1)C(C)(C)C ZINC000564713131 388886124 /nfs/dbraw/zinc/88/61/24/388886124.db2.gz ZAJBBLMPHBFCIK-SNVBAGLBSA-N 0 3 224.323 3.087 20 0 BGADHN COc1ccc(CN2CCCC[C@H]2C)c(F)c1 ZINC000564732771 398040546 /nfs/dbraw/zinc/04/05/46/398040546.db2.gz WGBFCOPBJIKWPB-LLVKDONJSA-N 0 3 237.318 3.209 20 0 BGADHN COc1ccc(CN2CCCC[C@@H]2C)c(F)c1 ZINC000564732772 398040711 /nfs/dbraw/zinc/04/07/11/398040711.db2.gz WGBFCOPBJIKWPB-NSHDSACASA-N 0 3 237.318 3.209 20 0 BGADHN CC(C)Cn1ccnc1CNC1CCC(C)CC1 ZINC000564746664 388886598 /nfs/dbraw/zinc/88/65/98/388886598.db2.gz SBZHNMLWLNDZBO-UHFFFAOYSA-N 0 3 249.402 3.207 20 0 BGADHN Cc1cnccc1CN1CC(C)(C)[C@@H]1C(C)C ZINC000564775740 388888269 /nfs/dbraw/zinc/88/82/69/388888269.db2.gz SOOSTYZKJUXSAL-AWEZNQCLSA-N 0 3 232.371 3.256 20 0 BGADHN Cc1cnccc1CN1CC(C)(C)[C@H]1C(C)C ZINC000564775755 388888497 /nfs/dbraw/zinc/88/84/97/388888497.db2.gz SOOSTYZKJUXSAL-CQSZACIVSA-N 0 3 232.371 3.256 20 0 BGADHN CC(C)CNCc1nc(C(C)C)n2ccccc12 ZINC000564800196 322903486 /nfs/dbraw/zinc/90/34/86/322903486.db2.gz BXNVOIXSGSMRMQ-UHFFFAOYSA-N 0 3 245.370 3.203 20 0 BGADHN CCC[C@H](N[C@H]1C[C@@H]1OCC)c1ccccc1 ZINC000564813428 325811804 /nfs/dbraw/zinc/81/18/04/325811804.db2.gz PETMBDJPCOSEQH-KKUMJFAQSA-N 0 3 233.355 3.295 20 0 BGADHN CCC[C@H](N[C@@H]1C[C@H]1OCC)c1ccccc1 ZINC000564813429 388890376 /nfs/dbraw/zinc/89/03/76/388890376.db2.gz PETMBDJPCOSEQH-RRFJBIMHSA-N 0 3 233.355 3.295 20 0 BGADHN CCC[C@H](N[C@H]1C[C@H]1OCC)c1ccccc1 ZINC000564813430 325811663 /nfs/dbraw/zinc/81/16/63/325811663.db2.gz PETMBDJPCOSEQH-SOUVJXGZSA-N 0 3 233.355 3.295 20 0 BGADHN CCC[C@H](N[C@@H]1C[C@@H]1OCC)c1ccccc1 ZINC000564813431 325811628 /nfs/dbraw/zinc/81/16/28/325811628.db2.gz PETMBDJPCOSEQH-ZNMIVQPWSA-N 0 3 233.355 3.295 20 0 BGADHN CC1(CN[C@H]2C[C@@]2(F)c2ccccc2)CC1 ZINC000564829574 325813810 /nfs/dbraw/zinc/81/38/10/325813810.db2.gz KFDYTZSDWWJXAU-GXTWGEPZSA-N 0 3 219.303 3.013 20 0 BGADHN CC1(CN[C@H]2C[C@]2(F)c2ccccc2)CC1 ZINC000564829578 325813805 /nfs/dbraw/zinc/81/38/05/325813805.db2.gz KFDYTZSDWWJXAU-JSGCOSHPSA-N 0 3 219.303 3.013 20 0 BGADHN CC1(CN[C@@H]2C[C@]2(F)c2ccccc2)CC1 ZINC000564829579 388892075 /nfs/dbraw/zinc/89/20/75/388892075.db2.gz KFDYTZSDWWJXAU-OCCSQVGLSA-N 0 3 219.303 3.013 20 0 BGADHN CC1(CN[C@@H]2C[C@@]2(F)c2ccccc2)CC1 ZINC000564829580 325813815 /nfs/dbraw/zinc/81/38/15/325813815.db2.gz KFDYTZSDWWJXAU-TZMCWYRMSA-N 0 3 219.303 3.013 20 0 BGADHN NCc1ccccc1OCCCCC(F)(F)F ZINC000564841261 325815172 /nfs/dbraw/zinc/81/51/72/325815172.db2.gz SLFURVZPBSSBNU-UHFFFAOYSA-N 0 3 247.260 3.257 20 0 BGADHN Cc1cccc(CCN(C)Cc2cccs2)n1 ZINC000564909725 388897624 /nfs/dbraw/zinc/89/76/24/388897624.db2.gz DPSNDCQDKLVRHY-UHFFFAOYSA-N 0 3 246.379 3.126 20 0 BGADHN CCc1cccc(CN2CC[C@@H](OC(C)C)C2)c1 ZINC000564915086 388898261 /nfs/dbraw/zinc/89/82/61/388898261.db2.gz BBPZZFNMHBQGDJ-MRXNPFEDSA-N 0 3 247.382 3.248 20 0 BGADHN C[C@H](N[C@H]1CCC[C@@H](F)C1)c1ccco1 ZINC000564964201 325835919 /nfs/dbraw/zinc/83/59/19/325835919.db2.gz CGVBSBGBRKZULZ-AXFHLTTASA-N 0 3 211.280 3.211 20 0 BGADHN C[C@H](N[C@H]1CCC[C@H](F)C1)c1ccco1 ZINC000564964202 388902630 /nfs/dbraw/zinc/90/26/30/388902630.db2.gz CGVBSBGBRKZULZ-DCAQKATOSA-N 0 3 211.280 3.211 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@H](F)C1)c1ccco1 ZINC000564964203 325835567 /nfs/dbraw/zinc/83/55/67/325835567.db2.gz CGVBSBGBRKZULZ-GARJFASQSA-N 0 3 211.280 3.211 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@@H](F)C1)c1ccco1 ZINC000564964204 325835573 /nfs/dbraw/zinc/83/55/73/325835573.db2.gz CGVBSBGBRKZULZ-HBNTYKKESA-N 0 3 211.280 3.211 20 0 BGADHN Cc1ccsc1CN1CC[C@@H](OC(C)C)C1 ZINC000564986274 388905885 /nfs/dbraw/zinc/90/58/85/388905885.db2.gz PTDOHHQECOSXRK-GFCCVEGCSA-N 0 3 239.384 3.056 20 0 BGADHN CCCC1CCC(CNCc2ccno2)CC1 ZINC000564986440 388905286 /nfs/dbraw/zinc/90/52/86/388905286.db2.gz RGKMZSXXARKUTE-UHFFFAOYSA-N 0 3 236.359 3.371 20 0 BGADHN CN(Cc1scnc1C1CC1)C(C)(C)C ZINC000564990811 384348432 /nfs/dbraw/zinc/34/84/32/384348432.db2.gz NDGLUVYNBRBBDX-UHFFFAOYSA-N 0 3 224.373 3.251 20 0 BGADHN CN(Cc1cnc(C(C)(C)C)nc1)C(C)(C)C ZINC000564991059 384347518 /nfs/dbraw/zinc/34/75/18/384347518.db2.gz WOMIPVWBXLSHMA-UHFFFAOYSA-N 0 3 235.375 3.004 20 0 BGADHN CCC[C@@H]1CCCCN1Cc1snnc1C ZINC000565045098 388911107 /nfs/dbraw/zinc/91/11/07/388911107.db2.gz XOFLURNDSLVLFZ-LLVKDONJSA-N 0 3 239.388 3.001 20 0 BGADHN CCC[C@H]1CCCCN1Cc1snnc1C ZINC000565045099 388910845 /nfs/dbraw/zinc/91/08/45/388910845.db2.gz XOFLURNDSLVLFZ-NSHDSACASA-N 0 3 239.388 3.001 20 0 BGADHN CC(C)c1nc(CNC2CCC2)c2ccccn21 ZINC000565081010 388913520 /nfs/dbraw/zinc/91/35/20/388913520.db2.gz RAXSLTYBLCAOIV-UHFFFAOYSA-N 0 3 243.354 3.100 20 0 BGADHN CCCN(CC)Cc1ccc(OC)cc1F ZINC000565081470 388913644 /nfs/dbraw/zinc/91/36/44/388913644.db2.gz OIFSVGLXCCZETA-UHFFFAOYSA-N 0 3 225.307 3.066 20 0 BGADHN COc1ccc(CNCCC2(C)CC2)c(F)c1 ZINC000565082329 388913528 /nfs/dbraw/zinc/91/35/28/388913528.db2.gz DOXCYJRIMDKJDM-UHFFFAOYSA-N 0 3 237.318 3.114 20 0 BGADHN CCc1cccc(CN[C@@H]2CCC[C@@H]2F)c1 ZINC000565083679 323013661 /nfs/dbraw/zinc/01/36/61/323013661.db2.gz OHRKAZQPTNCCPV-UONOGXRCSA-N 0 3 221.319 3.229 20 0 BGADHN COc1ccc(CN2CCCC23CCC3)c(F)c1 ZINC000565084382 388913903 /nfs/dbraw/zinc/91/39/03/388913903.db2.gz WWUNEESLFSHNAO-UHFFFAOYSA-N 0 3 249.329 3.353 20 0 BGADHN Cc1nsc(C)c1CN1[C@H](C)CC[C@@H]1C ZINC000565159389 388918619 /nfs/dbraw/zinc/91/86/19/388918619.db2.gz YBWIXWIISDVPLQ-DTORHVGOSA-N 0 3 224.373 3.133 20 0 BGADHN Cc1nsc(C)c1CN1[C@@H](C)CC[C@@H]1C ZINC000565159390 388918462 /nfs/dbraw/zinc/91/84/62/388918462.db2.gz YBWIXWIISDVPLQ-IUCAKERBSA-N 0 3 224.373 3.133 20 0 BGADHN Cc1nsc(C)c1CN1[C@H](C)CC[C@H]1C ZINC000565159392 388918699 /nfs/dbraw/zinc/91/86/99/388918699.db2.gz YBWIXWIISDVPLQ-RKDXNWHRSA-N 0 3 224.373 3.133 20 0 BGADHN CCC[C@@H](C)N(C)Cc1c(C)nsc1C ZINC000565164534 388920582 /nfs/dbraw/zinc/92/05/82/388920582.db2.gz NRFGGAOHDCPVBA-SECBINFHSA-N 0 3 226.389 3.380 20 0 BGADHN CCC[C@H](C)N(C)Cc1c(C)nsc1C ZINC000565164540 388919782 /nfs/dbraw/zinc/91/97/82/388919782.db2.gz NRFGGAOHDCPVBA-VIFPVBQESA-N 0 3 226.389 3.380 20 0 BGADHN CCCN(Cc1cn2ccsc2n1)C(C)C ZINC000565169146 388920053 /nfs/dbraw/zinc/92/00/53/388920053.db2.gz CTOYGAQSAHUGOQ-UHFFFAOYSA-N 0 3 237.372 3.016 20 0 BGADHN CC(C)CCCN1CCC(=O)CC12CCC2 ZINC000565175399 323134016 /nfs/dbraw/zinc/13/40/16/323134016.db2.gz ZPEVOSOXGGERPY-UHFFFAOYSA-N 0 3 223.360 3.010 20 0 BGADHN Cc1ccsc1CN[C@@H](C)c1cncnc1C ZINC000565214322 323033750 /nfs/dbraw/zinc/03/37/50/323033750.db2.gz FBLJVFQPWVGQQU-JTQLQIEISA-N 0 3 247.367 3.006 20 0 BGADHN Cc1ccsc1CN[C@H](C)c1cncnc1C ZINC000565214323 323033722 /nfs/dbraw/zinc/03/37/22/323033722.db2.gz FBLJVFQPWVGQQU-SNVBAGLBSA-N 0 3 247.367 3.006 20 0 BGADHN C[C@H]1CCC[C@H]1NCc1noc2ccccc21 ZINC000565214340 325876447 /nfs/dbraw/zinc/87/64/47/325876447.db2.gz FKXDNQHLCWVYBB-CMPLNLGQSA-N 0 3 230.311 3.106 20 0 BGADHN C[C@H]1CCC[C@@H]1NCc1noc2ccccc21 ZINC000565214341 388927305 /nfs/dbraw/zinc/92/73/05/388927305.db2.gz FKXDNQHLCWVYBB-JQWIXIFHSA-N 0 3 230.311 3.106 20 0 BGADHN C[C@@H]1CCC[C@@H]1NCc1noc2ccccc21 ZINC000565214342 388927552 /nfs/dbraw/zinc/92/75/52/388927552.db2.gz FKXDNQHLCWVYBB-PWSUYJOCSA-N 0 3 230.311 3.106 20 0 BGADHN C[C@@H]1CCC[C@H]1NCc1noc2ccccc21 ZINC000565214343 388927013 /nfs/dbraw/zinc/92/70/13/388927013.db2.gz FKXDNQHLCWVYBB-ZYHUDNBSSA-N 0 3 230.311 3.106 20 0 BGADHN COC1(CCOc2cc(C)nc(C)c2C)CCC1 ZINC000565220443 325879185 /nfs/dbraw/zinc/87/91/85/325879185.db2.gz DWVYWTJBCNSYTO-UHFFFAOYSA-N 0 3 249.354 3.345 20 0 BGADHN COCC1(COc2cc(C)nc(C)c2C)CCC1 ZINC000565222100 388927892 /nfs/dbraw/zinc/92/78/92/388927892.db2.gz QSIPBCSYKRQUKB-UHFFFAOYSA-N 0 3 249.354 3.202 20 0 BGADHN Cc1cc(OCc2cncc(F)c2)c(C)c(C)n1 ZINC000565222879 323034352 /nfs/dbraw/zinc/03/43/52/323034352.db2.gz VSKMPSPNUKPKSN-UHFFFAOYSA-N 0 3 246.285 3.120 20 0 BGADHN CCCN(Cc1cnc(C(C)(C)C)nc1)C(C)C ZINC000565229148 388930119 /nfs/dbraw/zinc/93/01/19/388930119.db2.gz KZGXEKHUTFRKQS-UHFFFAOYSA-N 0 3 249.402 3.395 20 0 BGADHN CCCN(Cc1cnn(C(C)C)c1)C(C)C ZINC000565230725 388929966 /nfs/dbraw/zinc/92/99/66/388929966.db2.gz VKUNMTPQDXJLNS-UHFFFAOYSA-N 0 3 223.364 3.084 20 0 BGADHN Cc1nc(CN[C@@H]2CCC[C@H](C3CC3)C2)[nH]c1C ZINC000565242615 325885673 /nfs/dbraw/zinc/88/56/73/325885673.db2.gz QCWUCZHQEGOCJL-UONOGXRCSA-N 0 3 247.386 3.085 20 0 BGADHN Clc1ccccc1CN[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000565242686 388931029 /nfs/dbraw/zinc/93/10/29/388931029.db2.gz HCTAFAQLLXTWOQ-PTEHBNRSSA-N 0 3 221.731 3.228 20 0 BGADHN Cc1nc(CNCC2(CC(C)C)CCC2)[nH]c1C ZINC000565242745 323037852 /nfs/dbraw/zinc/03/78/52/323037852.db2.gz RRAVPZTYGQQUAB-UHFFFAOYSA-N 0 3 249.402 3.333 20 0 BGADHN Cc1nc(CN[C@H](C)CCCC(C)C)[nH]c1C ZINC000565243365 325885557 /nfs/dbraw/zinc/88/55/57/325885557.db2.gz YDXFMCARLDNZTP-LLVKDONJSA-N 0 3 237.391 3.331 20 0 BGADHN Cc1nc(CN[C@@H](C)CCCC(C)C)[nH]c1C ZINC000565243391 388931971 /nfs/dbraw/zinc/93/19/71/388931971.db2.gz YDXFMCARLDNZTP-NSHDSACASA-N 0 3 237.391 3.331 20 0 BGADHN Cc1ccc(CN[C@H]2CCCC23CC3)nc1C ZINC000565244239 325886146 /nfs/dbraw/zinc/88/61/46/325886146.db2.gz GWWMKQZDUNLSSY-AWEZNQCLSA-N 0 3 230.355 3.121 20 0 BGADHN Cc1ccc(CN[C@@H]2CCCC23CC3)nc1C ZINC000565244247 325886430 /nfs/dbraw/zinc/88/64/30/325886430.db2.gz GWWMKQZDUNLSSY-CQSZACIVSA-N 0 3 230.355 3.121 20 0 BGADHN Cc1cccc(CN[C@@H]2[C@@H]3CCC[C@@H]32)c1F ZINC000565244795 325886299 /nfs/dbraw/zinc/88/62/99/325886299.db2.gz SMJQNAVVFZIFII-DABQJJPHSA-N 0 3 219.303 3.022 20 0 BGADHN Cc1cccc(CN[C@H]2[C@@H]3CCC[C@@H]32)c1F ZINC000565244801 388932025 /nfs/dbraw/zinc/93/20/25/388932025.db2.gz SMJQNAVVFZIFII-IMRBUKKESA-N 0 3 219.303 3.022 20 0 BGADHN CC(C)c1ncc(CN[C@@H]2[C@@H]3CCC[C@@H]32)s1 ZINC000565246320 388932679 /nfs/dbraw/zinc/93/26/79/388932679.db2.gz ZTTXZXMWUGWLFB-ZSBIGDGJSA-N 0 3 236.384 3.155 20 0 BGADHN CCc1ccc(CN(C)C(C)(C)COC)s1 ZINC000565281816 388934995 /nfs/dbraw/zinc/93/49/95/388934995.db2.gz YYDJCYFWERYQKX-UHFFFAOYSA-N 0 3 241.400 3.167 20 0 BGADHN CC(C)CC[C@@H]1CC[C@@H](NCc2cc[nH]n2)C1 ZINC000565285417 388934777 /nfs/dbraw/zinc/93/47/77/388934777.db2.gz VSBQROBQFUYHKU-CHWSQXEVSA-N 0 3 235.375 3.104 20 0 BGADHN CC(C)CC[C@@H]1CC[C@H](NCc2cc[nH]n2)C1 ZINC000565285430 388934849 /nfs/dbraw/zinc/93/48/49/388934849.db2.gz VSBQROBQFUYHKU-OLZOCXBDSA-N 0 3 235.375 3.104 20 0 BGADHN CC(C)CC[C@H]1CC[C@@H](NCc2cc[nH]n2)C1 ZINC000565285431 388934910 /nfs/dbraw/zinc/93/49/10/388934910.db2.gz VSBQROBQFUYHKU-QWHCGFSZSA-N 0 3 235.375 3.104 20 0 BGADHN CC(C)CC[C@H]1CC[C@H](NCc2cc[nH]n2)C1 ZINC000565285432 388935333 /nfs/dbraw/zinc/93/53/33/388935333.db2.gz VSBQROBQFUYHKU-STQMWFEESA-N 0 3 235.375 3.104 20 0 BGADHN CCc1nc(C)c(CN[C@H](C)C(C)(C)CC)o1 ZINC000565288382 388935132 /nfs/dbraw/zinc/93/51/32/388935132.db2.gz NXZXSJUKSJEGSE-LLVKDONJSA-N 0 3 238.375 3.460 20 0 BGADHN CCc1nc(C)c(CN[C@@H](C)C(C)(C)CC)o1 ZINC000565288387 388935386 /nfs/dbraw/zinc/93/53/86/388935386.db2.gz NXZXSJUKSJEGSE-NSHDSACASA-N 0 3 238.375 3.460 20 0 BGADHN Fc1ccc2oc(CN[C@@H]3[C@@H]4CCC[C@@H]43)cc2c1 ZINC000565315241 388937635 /nfs/dbraw/zinc/93/76/35/388937635.db2.gz QCNNBKHQMCQFCR-AGGWBTHJSA-N 0 3 245.297 3.460 20 0 BGADHN Fc1ccc2oc(CN[C@H]3[C@@H]4CCC[C@@H]43)cc2c1 ZINC000565315242 348199285 /nfs/dbraw/zinc/19/92/85/348199285.db2.gz QCNNBKHQMCQFCR-NHAGDIPZSA-N 0 3 245.297 3.460 20 0 BGADHN CC1(CN2Cc3ccccc3OC(C)(C)C2)CC1 ZINC000565331938 388939344 /nfs/dbraw/zinc/93/93/44/388939344.db2.gz LUNXTYAYWSKSFK-UHFFFAOYSA-N 0 3 245.366 3.460 20 0 BGADHN CC(C)N(Cc1ccco1)CC1(C)CC1 ZINC000565339799 323091416 /nfs/dbraw/zinc/09/14/16/323091416.db2.gz BIISXSQTUZXKKX-UHFFFAOYSA-N 0 3 207.317 3.290 20 0 BGADHN CCC1(CNCc2nc(C)c(C)[nH]2)CCCC1 ZINC000565373824 325903180 /nfs/dbraw/zinc/90/31/80/325903180.db2.gz SSPONPJJDULAJC-UHFFFAOYSA-N 0 3 235.375 3.087 20 0 BGADHN c1ccc(O[C@H]2CCN([C@H]3C=CCCC3)C2)cc1 ZINC000565419769 388942854 /nfs/dbraw/zinc/94/28/54/388942854.db2.gz ZKKYCBAWGFLNRU-HOCLYGCPSA-N 0 3 243.350 3.248 20 0 BGADHN c1ccc(O[C@H]2CCN([C@@H]3C=CCCC3)C2)cc1 ZINC000565419770 388942718 /nfs/dbraw/zinc/94/27/18/388942718.db2.gz ZKKYCBAWGFLNRU-ZBFHGGJFSA-N 0 3 243.350 3.248 20 0 BGADHN Cc1nc([C@H](C)N[C@H]2CCC[C@@H](F)C2)cs1 ZINC000565422316 388945076 /nfs/dbraw/zinc/94/50/76/388945076.db2.gz MWXNTYGSYQGAMS-GDPRMGEGSA-N 0 3 242.363 3.383 20 0 BGADHN Cc1nc([C@H](C)N[C@@H]2CCC[C@H](F)C2)cs1 ZINC000565422317 388944744 /nfs/dbraw/zinc/94/47/44/388944744.db2.gz MWXNTYGSYQGAMS-INTQDDNPSA-N 0 3 242.363 3.383 20 0 BGADHN Cc1nc([C@H](C)N[C@@H]2CCC[C@@H](F)C2)cs1 ZINC000565422318 388945002 /nfs/dbraw/zinc/94/50/02/388945002.db2.gz MWXNTYGSYQGAMS-JMJZKYOTSA-N 0 3 242.363 3.383 20 0 BGADHN Cc1nc([C@H](C)N[C@H]2CCC[C@H](F)C2)cs1 ZINC000565422319 388944643 /nfs/dbraw/zinc/94/46/43/388944643.db2.gz MWXNTYGSYQGAMS-LSJOCFKGSA-N 0 3 242.363 3.383 20 0 BGADHN Fc1ccc(/C=C/CN[C@H]2C[C@@H]2C(F)F)cc1 ZINC000565442918 325912180 /nfs/dbraw/zinc/91/21/80/325912180.db2.gz HGVRYBKNQXDVKH-NLMOASMRSA-N 0 3 241.256 3.082 20 0 BGADHN Fc1ccc(/C=C\CN[C@H]2C[C@@H]2C(F)F)cc1 ZINC000565442924 325912099 /nfs/dbraw/zinc/91/20/99/325912099.db2.gz HGVRYBKNQXDVKH-ZMCHVJTCSA-N 0 3 241.256 3.082 20 0 BGADHN Cc1csc(COc2cc(C)nc(C)c2C)n1 ZINC000565453930 325912693 /nfs/dbraw/zinc/91/26/93/325912693.db2.gz FNJGJVDKIBQBIW-UHFFFAOYSA-N 0 3 248.351 3.351 20 0 BGADHN CCc1ccc(CCN2CCC[C@H]2CF)cc1 ZINC000565487355 388948986 /nfs/dbraw/zinc/94/89/86/388948986.db2.gz VJLQJKLPJHOAFS-HNNXBMFYSA-N 0 3 235.346 3.225 20 0 BGADHN CCc1ccc(CCN2CCC[C@@H]2CF)cc1 ZINC000565487371 388949243 /nfs/dbraw/zinc/94/92/43/388949243.db2.gz VJLQJKLPJHOAFS-OAHLLOKOSA-N 0 3 235.346 3.225 20 0 BGADHN F[C@@]1(c2ccccc2)CCN(CC2CCC2)C1 ZINC000565526746 388951482 /nfs/dbraw/zinc/95/14/82/388951482.db2.gz BSTLIKMYGSPJGO-HNNXBMFYSA-N 0 3 233.330 3.357 20 0 BGADHN F[C@]1(c2ccccc2)CCN(CC2CCC2)C1 ZINC000565526765 388951352 /nfs/dbraw/zinc/95/13/52/388951352.db2.gz BSTLIKMYGSPJGO-OAHLLOKOSA-N 0 3 233.330 3.357 20 0 BGADHN c1ccc2c(CNCC3CCCCC3)noc2c1 ZINC000565550873 325927210 /nfs/dbraw/zinc/92/72/10/325927210.db2.gz UCBXFMVHLHDKHJ-UHFFFAOYSA-N 0 3 244.338 3.498 20 0 BGADHN CCc1cc(CNC[C@@H](C)c2ccccc2)on1 ZINC000565579497 325930257 /nfs/dbraw/zinc/93/02/57/325930257.db2.gz UWJMFXIXDZQZIO-GFCCVEGCSA-N 0 3 244.338 3.130 20 0 BGADHN CCc1cc(CNC[C@H](C)c2ccccc2)on1 ZINC000565579498 388955895 /nfs/dbraw/zinc/95/58/95/388955895.db2.gz UWJMFXIXDZQZIO-LBPRGKRZSA-N 0 3 244.338 3.130 20 0 BGADHN CC[C@@H](NC1CCC2(CC2)CC1)c1nccn1C ZINC000565638323 388960363 /nfs/dbraw/zinc/96/03/63/388960363.db2.gz BUHDUNYCWKHEBG-CYBMUJFWSA-N 0 3 247.386 3.184 20 0 BGADHN CC[C@H](NC1CCC2(CC2)CC1)c1nccn1C ZINC000565638328 325935008 /nfs/dbraw/zinc/93/50/08/325935008.db2.gz BUHDUNYCWKHEBG-ZDUSSCGKSA-N 0 3 247.386 3.184 20 0 BGADHN COC[C@@H]1CCN1CCc1ccc(C(C)C)cc1 ZINC000565650365 388960253 /nfs/dbraw/zinc/96/02/53/388960253.db2.gz YDYPPBXPUHBART-INIZCTEOSA-N 0 3 247.382 3.073 20 0 BGADHN COC[C@H]1CCN1CCc1ccc(C(C)C)cc1 ZINC000565650367 388959637 /nfs/dbraw/zinc/95/96/37/388959637.db2.gz YDYPPBXPUHBART-MRXNPFEDSA-N 0 3 247.382 3.073 20 0 BGADHN Cc1ccc(CNCCOCC2CCC2)c(C)c1 ZINC000565691382 388963620 /nfs/dbraw/zinc/96/36/20/388963620.db2.gz XAAYNDPHKRWAIH-UHFFFAOYSA-N 0 3 247.382 3.210 20 0 BGADHN CCC1CN(Cc2ccc(C(F)F)cc2)C1 ZINC000565699212 384854116 /nfs/dbraw/zinc/85/41/16/384854116.db2.gz AAUSOSAEZJJCSJ-UHFFFAOYSA-N 0 3 225.282 3.466 20 0 BGADHN Cc1nc(CNCCCCC2CCCC2)[nH]c1C ZINC000565727508 325949190 /nfs/dbraw/zinc/94/91/90/325949190.db2.gz MPBGXLHCIGZNEL-UHFFFAOYSA-N 0 3 249.402 3.477 20 0 BGADHN COCC1(NCc2ccc(C3CCC3)cc2)CC1 ZINC000565788377 388969965 /nfs/dbraw/zinc/96/99/65/388969965.db2.gz AFCCDBMWSKXNBF-UHFFFAOYSA-N 0 3 245.366 3.223 20 0 BGADHN Cc1ccc2c(c1)[C@@H](NC1CC(C(C)C)C1)CO2 ZINC000565809915 388970535 /nfs/dbraw/zinc/97/05/35/388970535.db2.gz MPORORWISMTFIP-PIMMBPRGSA-N 0 3 245.366 3.453 20 0 BGADHN Cc1ccc2c(c1)[C@H](NC1CC(C(C)C)C1)CO2 ZINC000565809916 388969937 /nfs/dbraw/zinc/96/99/37/388969937.db2.gz MPORORWISMTFIP-SSDMNJCBSA-N 0 3 245.366 3.453 20 0 BGADHN Cc1nsc(C)c1CN1CCCC2(CC2)C1 ZINC000565841337 388972590 /nfs/dbraw/zinc/97/25/90/388972590.db2.gz UHZMGNJRUONHKJ-UHFFFAOYSA-N 0 3 236.384 3.136 20 0 BGADHN c1ccc(C2=CCCN([C@H]3C=CCCC3)C2)nc1 ZINC000565841829 388972458 /nfs/dbraw/zinc/97/24/58/388972458.db2.gz MGGBEWUHBWOIDT-HNNXBMFYSA-N 0 3 240.350 3.279 20 0 BGADHN c1ccc(C2=CCCN([C@@H]3C=CCCC3)C2)nc1 ZINC000565841831 388972861 /nfs/dbraw/zinc/97/28/61/388972861.db2.gz MGGBEWUHBWOIDT-OAHLLOKOSA-N 0 3 240.350 3.279 20 0 BGADHN CC(C)OCCCN1CCC[C@H]1c1ccccn1 ZINC000565871091 388975384 /nfs/dbraw/zinc/97/53/84/388975384.db2.gz UAOLLBOQXQCARO-HNNXBMFYSA-N 0 3 248.370 3.034 20 0 BGADHN CC(C)OCCCN1CCC[C@@H]1c1ccccn1 ZINC000565871092 388975039 /nfs/dbraw/zinc/97/50/39/388975039.db2.gz UAOLLBOQXQCARO-OAHLLOKOSA-N 0 3 248.370 3.034 20 0 BGADHN C[C@@H](NCC1CCCC1)c1cn2ccccc2n1 ZINC000565907223 325973540 /nfs/dbraw/zinc/97/35/40/325973540.db2.gz YJZYBMYDQXEBEX-GFCCVEGCSA-N 0 3 243.354 3.175 20 0 BGADHN C[C@H](NCC1CCCC1)c1cn2ccccc2n1 ZINC000565907224 325973447 /nfs/dbraw/zinc/97/34/47/325973447.db2.gz YJZYBMYDQXEBEX-LBPRGKRZSA-N 0 3 243.354 3.175 20 0 BGADHN CC(C)N(CCC(C)(F)F)Cc1ccccn1 ZINC000565932551 388979380 /nfs/dbraw/zinc/97/93/80/388979380.db2.gz OBTQUIRQGNMKHY-UHFFFAOYSA-N 0 3 242.313 3.337 20 0 BGADHN COC(C)(C)CCOc1cc(C)nc(C)c1C ZINC000565960929 325978618 /nfs/dbraw/zinc/97/86/18/325978618.db2.gz GYQHIMNRMWXEON-UHFFFAOYSA-N 0 3 237.343 3.201 20 0 BGADHN CC(C)CCN[C@H](C)c1cn2ccccc2n1 ZINC000565965354 370703885 /nfs/dbraw/zinc/70/38/85/370703885.db2.gz REXSTJDVVQGMFE-GFCCVEGCSA-N 0 3 231.343 3.031 20 0 BGADHN CC(C)CCN[C@@H](C)c1cn2ccccc2n1 ZINC000565965371 370703623 /nfs/dbraw/zinc/70/36/23/370703623.db2.gz REXSTJDVVQGMFE-LBPRGKRZSA-N 0 3 231.343 3.031 20 0 BGADHN CCCCN(Cc1ccn(C)n1)C1CCCCC1 ZINC000566022897 388984228 /nfs/dbraw/zinc/98/42/28/388984228.db2.gz APJBAMDVJGIEDZ-UHFFFAOYSA-N 0 3 249.402 3.355 20 0 BGADHN CC1(C)CN(Cc2ccc(F)cc2)[C@H]1C1CC1 ZINC000566040799 388984946 /nfs/dbraw/zinc/98/49/46/388984946.db2.gz ACFMGUANSPENCP-AWEZNQCLSA-N 0 3 233.330 3.446 20 0 BGADHN CC1(C)CN(Cc2ccc(F)cc2)[C@@H]1C1CC1 ZINC000566040800 388985016 /nfs/dbraw/zinc/98/50/16/388985016.db2.gz ACFMGUANSPENCP-CQSZACIVSA-N 0 3 233.330 3.446 20 0 BGADHN C[C@@H]1CCN(Cc2ccc3c(n2)CCC3)[C@H](C)C1 ZINC000566137836 326001656 /nfs/dbraw/zinc/00/16/56/326001656.db2.gz SABKHNBLTPCMCA-CHWSQXEVSA-N 0 3 244.382 3.191 20 0 BGADHN FCC1(NCc2ccc3ncccc3c2)CCC1 ZINC000566216803 326016662 /nfs/dbraw/zinc/01/66/62/326016662.db2.gz FPFGKJAMRUFIPO-UHFFFAOYSA-N 0 3 244.313 3.217 20 0 BGADHN Fc1cccc(CN[C@@H]2CCC[C@@H](F)C2)c1F ZINC000566217091 326016335 /nfs/dbraw/zinc/01/63/35/326016335.db2.gz KPTUKXVIEFJBTM-GHMZBOCLSA-N 0 3 243.272 3.335 20 0 BGADHN Fc1cccc(CN[C@H]2CCC[C@@H](F)C2)c1F ZINC000566217092 326016412 /nfs/dbraw/zinc/01/64/12/326016412.db2.gz KPTUKXVIEFJBTM-MNOVXSKESA-N 0 3 243.272 3.335 20 0 BGADHN Fc1cccc(CN[C@H]2CCC[C@H](F)C2)c1F ZINC000566217093 326016271 /nfs/dbraw/zinc/01/62/71/326016271.db2.gz KPTUKXVIEFJBTM-QWRGUYRKSA-N 0 3 243.272 3.335 20 0 BGADHN Fc1cccc(CN[C@@H]2CCC[C@H](F)C2)c1F ZINC000566217094 326016503 /nfs/dbraw/zinc/01/65/03/326016503.db2.gz KPTUKXVIEFJBTM-WDEREUQCSA-N 0 3 243.272 3.335 20 0 BGADHN C[C@H](N[C@H]1CO[C@H](C)C1)c1cccc(C2CC2)c1 ZINC000566217419 384258073 /nfs/dbraw/zinc/25/80/73/384258073.db2.gz QJLBGJNCYUFYIW-BFQNTYOBSA-N 0 3 245.366 3.392 20 0 BGADHN C[C@@H](N[C@@H]1CO[C@H](C)C1)c1cccc(C2CC2)c1 ZINC000566217423 322970474 /nfs/dbraw/zinc/97/04/74/322970474.db2.gz QJLBGJNCYUFYIW-HSMVNMDESA-N 0 3 245.366 3.392 20 0 BGADHN C[C@H](N[C@@H]1CO[C@H](C)C1)c1cccc(C2CC2)c1 ZINC000566217424 322970486 /nfs/dbraw/zinc/97/04/86/322970486.db2.gz QJLBGJNCYUFYIW-WQGACYEGSA-N 0 3 245.366 3.392 20 0 BGADHN C[C@@H](N[C@H]1CO[C@H](C)C1)c1cccc(C2CC2)c1 ZINC000566217426 384258597 /nfs/dbraw/zinc/25/85/97/384258597.db2.gz QJLBGJNCYUFYIW-XHBSWPGZSA-N 0 3 245.366 3.392 20 0 BGADHN Fc1ccc(CN[C@@H]2CCC[C@H](F)C2)c(F)c1 ZINC000566217722 326016654 /nfs/dbraw/zinc/01/66/54/326016654.db2.gz VKIXCPZLHVZZFY-CMPLNLGQSA-N 0 3 243.272 3.335 20 0 BGADHN Fc1ccc(CN[C@H]2CCC[C@H](F)C2)c(F)c1 ZINC000566217723 326016562 /nfs/dbraw/zinc/01/65/62/326016562.db2.gz VKIXCPZLHVZZFY-JQWIXIFHSA-N 0 3 243.272 3.335 20 0 BGADHN Fc1ccc(CN[C@H]2CCC[C@@H](F)C2)c(F)c1 ZINC000566217724 326016226 /nfs/dbraw/zinc/01/62/26/326016226.db2.gz VKIXCPZLHVZZFY-PWSUYJOCSA-N 0 3 243.272 3.335 20 0 BGADHN Fc1ccc(CN[C@@H]2CCC[C@@H](F)C2)c(F)c1 ZINC000566217725 326016701 /nfs/dbraw/zinc/01/67/01/326016701.db2.gz VKIXCPZLHVZZFY-ZYHUDNBSSA-N 0 3 243.272 3.335 20 0 BGADHN FCC1(N[C@H]2CCc3ccccc3C2)CCC1 ZINC000566217855 326016476 /nfs/dbraw/zinc/01/64/76/326016476.db2.gz ZUXYOAGOYMPURE-AWEZNQCLSA-N 0 3 233.330 3.026 20 0 BGADHN FCC1(N[C@@H]2CCc3ccccc3C2)CCC1 ZINC000566217856 326016484 /nfs/dbraw/zinc/01/64/84/326016484.db2.gz ZUXYOAGOYMPURE-CQSZACIVSA-N 0 3 233.330 3.026 20 0 BGADHN COc1cc(C)ccc1CN(C)C(C)(C)C ZINC000566247951 326023581 /nfs/dbraw/zinc/02/35/81/326023581.db2.gz CNWCIHWHHWURGE-UHFFFAOYSA-N 0 3 221.344 3.234 20 0 BGADHN CN(Cc1cc(F)c(F)c(F)c1)C(C)(C)C ZINC000566248206 385156130 /nfs/dbraw/zinc/15/61/30/385156130.db2.gz UTLXFJJLTKDVDD-UHFFFAOYSA-N 0 3 231.261 3.334 20 0 BGADHN FCC1(NC[C@@H]2C[C@H]2c2ccccc2)CCC1 ZINC000566248269 326023604 /nfs/dbraw/zinc/02/36/04/326023604.db2.gz YKPFEXWCGGHGPH-KBPBESRZSA-N 0 3 233.330 3.272 20 0 BGADHN FCC1(NC[C@H]2C[C@H]2c2ccccc2)CCC1 ZINC000566248270 326023417 /nfs/dbraw/zinc/02/34/17/326023417.db2.gz YKPFEXWCGGHGPH-KGLIPLIRSA-N 0 3 233.330 3.272 20 0 BGADHN FCC1(NC[C@@H]2C[C@@H]2c2ccccc2)CCC1 ZINC000566248271 326023631 /nfs/dbraw/zinc/02/36/31/326023631.db2.gz YKPFEXWCGGHGPH-UONOGXRCSA-N 0 3 233.330 3.272 20 0 BGADHN FCC1(NC[C@H]2C[C@@H]2c2ccccc2)CCC1 ZINC000566248272 326023287 /nfs/dbraw/zinc/02/32/87/326023287.db2.gz YKPFEXWCGGHGPH-ZIAGYGMSSA-N 0 3 233.330 3.272 20 0 BGADHN CCCCN(C)Cc1ccccc1OC1CC1 ZINC000566324948 326033336 /nfs/dbraw/zinc/03/33/36/326033336.db2.gz JEKKJMMLEWCZCK-UHFFFAOYSA-N 0 3 233.355 3.460 20 0 BGADHN COc1ccc(CN2CC[C@@H](C3CC3)C2)c(F)c1 ZINC000566337267 326034863 /nfs/dbraw/zinc/03/48/63/326034863.db2.gz NPCNHHXPUHEXHQ-GFCCVEGCSA-N 0 3 249.329 3.066 20 0 BGADHN COc1ccc(CN2CC[C@H](C3CC3)C2)c(F)c1 ZINC000566337273 326035058 /nfs/dbraw/zinc/03/50/58/326035058.db2.gz NPCNHHXPUHEXHQ-LBPRGKRZSA-N 0 3 249.329 3.066 20 0 BGADHN COc1ccc(CN(C)CC2CCC2)c(F)c1 ZINC000566337362 326034853 /nfs/dbraw/zinc/03/48/53/326034853.db2.gz OIAOWKXKWNYILT-UHFFFAOYSA-N 0 3 237.318 3.066 20 0 BGADHN COc1ccc(CN2C[C@H](C)C[C@H]2C)c(F)c1 ZINC000566337998 384213599 /nfs/dbraw/zinc/21/35/99/384213599.db2.gz TXCXCZCSLLIDBC-GHMZBOCLSA-N 0 3 237.318 3.065 20 0 BGADHN COc1ccc(CN2C[C@H](C)C[C@@H]2C)c(F)c1 ZINC000566337999 384214540 /nfs/dbraw/zinc/21/45/40/384214540.db2.gz TXCXCZCSLLIDBC-MNOVXSKESA-N 0 3 237.318 3.065 20 0 BGADHN COc1ccc(CN2C[C@@H](C)C[C@@H]2C)c(F)c1 ZINC000566338000 384215433 /nfs/dbraw/zinc/21/54/33/384215433.db2.gz TXCXCZCSLLIDBC-QWRGUYRKSA-N 0 3 237.318 3.065 20 0 BGADHN COc1ccc(CN2C[C@@H](C)C[C@H]2C)c(F)c1 ZINC000566338001 384215758 /nfs/dbraw/zinc/21/57/58/384215758.db2.gz TXCXCZCSLLIDBC-WDEREUQCSA-N 0 3 237.318 3.065 20 0 BGADHN CCCN(Cc1ccc(OC)cc1F)C1CC1 ZINC000566338019 326034805 /nfs/dbraw/zinc/03/48/05/326034805.db2.gz UMPADERQMLAYMV-UHFFFAOYSA-N 0 3 237.318 3.209 20 0 BGADHN CCC(C)(C)N(C)Cc1ccc(OC)cc1F ZINC000566338279 326035151 /nfs/dbraw/zinc/03/51/51/326035151.db2.gz WXSXLJLPCTVYNA-UHFFFAOYSA-N 0 3 239.334 3.455 20 0 BGADHN Cc1nsc(C)c1CN1C[C@H](C)CC[C@H]1C ZINC000566413710 326039042 /nfs/dbraw/zinc/03/90/42/326039042.db2.gz HVOKSTYFFOLAIX-NXEZZACHSA-N 0 3 238.400 3.380 20 0 BGADHN Cc1nsc(C)c1CN1C[C@@H](C)CC[C@@H]1C ZINC000566413713 326039162 /nfs/dbraw/zinc/03/91/62/326039162.db2.gz HVOKSTYFFOLAIX-UWVGGRQHSA-N 0 3 238.400 3.380 20 0 BGADHN Cc1nsc(C)c1CN1C[C@@H](C)CC[C@H]1C ZINC000566413715 326038884 /nfs/dbraw/zinc/03/88/84/326038884.db2.gz HVOKSTYFFOLAIX-VHSXEESVSA-N 0 3 238.400 3.380 20 0 BGADHN Cc1nsc(C)c1CN1C[C@H](C)CC[C@@H]1C ZINC000566413716 326039229 /nfs/dbraw/zinc/03/92/29/326039229.db2.gz HVOKSTYFFOLAIX-ZJUUUORDSA-N 0 3 238.400 3.380 20 0 BGADHN CCN(CCC1CC1)Cc1c(C)nsc1C ZINC000566415278 326042076 /nfs/dbraw/zinc/04/20/76/326042076.db2.gz AEWDEPQIEDFFIK-UHFFFAOYSA-N 0 3 238.400 3.382 20 0 BGADHN Cc1nsc(C)c1CN1CCC[C@H](C)CC1 ZINC000566416704 326042696 /nfs/dbraw/zinc/04/26/96/326042696.db2.gz JMHRGQMYGMAGQS-JTQLQIEISA-N 0 3 238.400 3.382 20 0 BGADHN Cc1nsc(C)c1CN1CCC[C@@H](C)CC1 ZINC000566416705 326042598 /nfs/dbraw/zinc/04/25/98/326042598.db2.gz JMHRGQMYGMAGQS-SNVBAGLBSA-N 0 3 238.400 3.382 20 0 BGADHN O=C1CCN(CCC2CCCC2)C2(CCC2)C1 ZINC000566429668 326045872 /nfs/dbraw/zinc/04/58/72/326045872.db2.gz YJWUIVTWSKEMSO-UHFFFAOYSA-N 0 3 235.371 3.154 20 0 BGADHN CCCN(Cc1cc(OC)cc(C)n1)C(C)C ZINC000566430243 326045809 /nfs/dbraw/zinc/04/58/09/326045809.db2.gz OKFHNUZXQIUTEC-UHFFFAOYSA-N 0 3 236.359 3.019 20 0 BGADHN CCCN(Cc1cccc2c1OCCO2)C(C)C ZINC000566430552 326045610 /nfs/dbraw/zinc/04/56/10/326045610.db2.gz VDVPPERLDOKYRM-UHFFFAOYSA-N 0 3 249.354 3.078 20 0 BGADHN CC[C@@H](NCc1noc2ccccc21)C1CCC1 ZINC000566473332 364716561 /nfs/dbraw/zinc/71/65/61/364716561.db2.gz ALQFYRLSEONACV-CYBMUJFWSA-N 0 3 244.338 3.496 20 0 BGADHN CC[C@H](NCc1noc2ccccc21)C1CCC1 ZINC000566473340 322999843 /nfs/dbraw/zinc/99/98/43/322999843.db2.gz ALQFYRLSEONACV-ZDUSSCGKSA-N 0 3 244.338 3.496 20 0 BGADHN Cc1csc(CN[C@@H](C)c2cncnc2C)c1 ZINC000566473970 326053601 /nfs/dbraw/zinc/05/36/01/326053601.db2.gz CCDDCKFJXUCZFI-JTQLQIEISA-N 0 3 247.367 3.006 20 0 BGADHN Cc1csc(CN[C@H](C)c2cncnc2C)c1 ZINC000566473973 326053478 /nfs/dbraw/zinc/05/34/78/326053478.db2.gz CCDDCKFJXUCZFI-SNVBAGLBSA-N 0 3 247.367 3.006 20 0 BGADHN CC1(C)CC[C@H]1NCc1noc2ccccc21 ZINC000566475129 326054161 /nfs/dbraw/zinc/05/41/61/326054161.db2.gz KDTKPOICZMJEAI-CYBMUJFWSA-N 0 3 230.311 3.106 20 0 BGADHN CC1(C)CC[C@@H]1NCc1noc2ccccc21 ZINC000566475130 326054154 /nfs/dbraw/zinc/05/41/54/326054154.db2.gz KDTKPOICZMJEAI-ZDUSSCGKSA-N 0 3 230.311 3.106 20 0 BGADHN CCn1ccc(CN[C@@H]2CCCC(C)(C)CC2)n1 ZINC000566498504 326059042 /nfs/dbraw/zinc/05/90/42/326059042.db2.gz DFTCFLMYTFEVJU-CYBMUJFWSA-N 0 3 249.402 3.352 20 0 BGADHN CCn1ccc(CN[C@H]2CCCC(C)(C)CC2)n1 ZINC000566498505 326059097 /nfs/dbraw/zinc/05/90/97/326059097.db2.gz DFTCFLMYTFEVJU-ZDUSSCGKSA-N 0 3 249.402 3.352 20 0 BGADHN CC[C@H]1CCCC[C@H]1CNCc1nc(C)c(C)[nH]1 ZINC000566499443 326059107 /nfs/dbraw/zinc/05/91/07/326059107.db2.gz UITJNDSADOKBCQ-KBPBESRZSA-N 0 3 249.402 3.333 20 0 BGADHN CC[C@@H]1CCCC[C@H]1CNCc1nc(C)c(C)[nH]1 ZINC000566499444 326059076 /nfs/dbraw/zinc/05/90/76/326059076.db2.gz UITJNDSADOKBCQ-KGLIPLIRSA-N 0 3 249.402 3.333 20 0 BGADHN CC[C@H]1CCCC[C@@H]1CNCc1nc(C)c(C)[nH]1 ZINC000566499445 326059157 /nfs/dbraw/zinc/05/91/57/326059157.db2.gz UITJNDSADOKBCQ-UONOGXRCSA-N 0 3 249.402 3.333 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1CNCc1nc(C)c(C)[nH]1 ZINC000566499446 326058841 /nfs/dbraw/zinc/05/88/41/326058841.db2.gz UITJNDSADOKBCQ-ZIAGYGMSSA-N 0 3 249.402 3.333 20 0 BGADHN COc1ccc(F)c(CNC2CC(C)(C)C2)c1 ZINC000566499996 326059773 /nfs/dbraw/zinc/05/97/73/326059773.db2.gz HCLXXMZFJSYEBO-UHFFFAOYSA-N 0 3 237.318 3.113 20 0 BGADHN Clc1ccc(CN[C@@H]2[C@@H]3CCC[C@@H]32)s1 ZINC000566500151 326059807 /nfs/dbraw/zinc/05/98/07/326059807.db2.gz IRPGQWYZUXIOLG-DOFRTFSJSA-N 0 3 227.760 3.290 20 0 BGADHN CO[C@@H](C)[C@@H](C)NCc1cc2cc(C)ccc2o1 ZINC000566501240 326059598 /nfs/dbraw/zinc/05/95/98/326059598.db2.gz PLXMTOVTQMVDFR-NEPJUHHUSA-N 0 3 247.338 3.254 20 0 BGADHN CO[C@H](C)[C@H](C)NCc1cc2cc(C)ccc2o1 ZINC000566501242 326059531 /nfs/dbraw/zinc/05/95/31/326059531.db2.gz PLXMTOVTQMVDFR-NWDGAFQWSA-N 0 3 247.338 3.254 20 0 BGADHN CO[C@@H](C)[C@H](C)NCc1cc2cc(C)ccc2o1 ZINC000566501244 326059783 /nfs/dbraw/zinc/05/97/83/326059783.db2.gz PLXMTOVTQMVDFR-RYUDHWBXSA-N 0 3 247.338 3.254 20 0 BGADHN CO[C@H](C)[C@@H](C)NCc1cc2cc(C)ccc2o1 ZINC000566501246 326059487 /nfs/dbraw/zinc/05/94/87/326059487.db2.gz PLXMTOVTQMVDFR-VXGBXAGGSA-N 0 3 247.338 3.254 20 0 BGADHN CC(C)[C@H]1CC[C@@H]1N[C@@H](C)c1cscn1 ZINC000566502262 326059470 /nfs/dbraw/zinc/05/94/70/326059470.db2.gz YWXYMVLTQQNEHD-AXFHLTTASA-N 0 3 224.373 3.228 20 0 BGADHN CC(C)[C@@H]1CC[C@@H]1N[C@@H](C)c1cscn1 ZINC000566502263 326059615 /nfs/dbraw/zinc/05/96/15/326059615.db2.gz YWXYMVLTQQNEHD-DCAQKATOSA-N 0 3 224.373 3.228 20 0 BGADHN CC(C)[C@@H]1CC[C@H]1N[C@@H](C)c1cscn1 ZINC000566502265 326060289 /nfs/dbraw/zinc/06/02/89/326060289.db2.gz YWXYMVLTQQNEHD-GARJFASQSA-N 0 3 224.373 3.228 20 0 BGADHN CC(C)[C@H]1CC[C@H]1N[C@@H](C)c1cscn1 ZINC000566502267 326060023 /nfs/dbraw/zinc/06/00/23/326060023.db2.gz YWXYMVLTQQNEHD-HBNTYKKESA-N 0 3 224.373 3.228 20 0 BGADHN CCCC[C@@H](CC)CNCc1nc(C)c(C)[nH]1 ZINC000566573019 326065786 /nfs/dbraw/zinc/06/57/86/326065786.db2.gz UYPRRFQQERYQGX-CYBMUJFWSA-N 0 3 237.391 3.333 20 0 BGADHN CCCC[C@H](CC)CNCc1nc(C)c(C)[nH]1 ZINC000566573020 326065802 /nfs/dbraw/zinc/06/58/02/326065802.db2.gz UYPRRFQQERYQGX-ZDUSSCGKSA-N 0 3 237.391 3.333 20 0 BGADHN Cc1cc(Cl)cc(C)c1CN1CC(C)C1 ZINC000566574973 326065776 /nfs/dbraw/zinc/06/57/76/326065776.db2.gz TXMSTFMFTXLFNG-UHFFFAOYSA-N 0 3 223.747 3.409 20 0 BGADHN CCCC1(CNCc2nc(C)c(C)[nH]2)CCC1 ZINC000566631594 326070622 /nfs/dbraw/zinc/07/06/22/326070622.db2.gz RPONPJBUPBXERF-UHFFFAOYSA-N 0 3 235.375 3.087 20 0 BGADHN CCC(CC)N(Cc1ccc(F)cn1)C1CC1 ZINC000566653472 326071214 /nfs/dbraw/zinc/07/12/14/326071214.db2.gz LDJOXFQOIIVMDB-UHFFFAOYSA-N 0 3 236.334 3.374 20 0 BGADHN CCC(C)(C)[C@@H](C)NCc1ncccc1OC ZINC000566660862 326071966 /nfs/dbraw/zinc/07/19/66/326071966.db2.gz SHVHVMCCGBMNOY-LLVKDONJSA-N 0 3 236.359 3.005 20 0 BGADHN CCC(C)(C)[C@H](C)NCc1ncccc1OC ZINC000566660863 326071814 /nfs/dbraw/zinc/07/18/14/326071814.db2.gz SHVHVMCCGBMNOY-NSHDSACASA-N 0 3 236.359 3.005 20 0 BGADHN CC(F)(F)CCNCc1cnc(C2CC2)s1 ZINC000566719189 326076347 /nfs/dbraw/zinc/07/63/47/326076347.db2.gz WTSHNQJKHGUEKF-UHFFFAOYSA-N 0 3 246.326 3.155 20 0 BGADHN CCc1ccc(CNC2(CF)CCC2)s1 ZINC000566738056 326078371 /nfs/dbraw/zinc/07/83/71/326078371.db2.gz RWRJXTLFECPURJ-UHFFFAOYSA-N 0 3 227.348 3.292 20 0 BGADHN CCc1cccc(CN2CC(C)(CCOC)C2)c1 ZINC000566742648 326079199 /nfs/dbraw/zinc/07/91/99/326079199.db2.gz VBXUDJICGWCDPO-UHFFFAOYSA-N 0 3 247.382 3.107 20 0 BGADHN CCC(C)(C)N(C)Cc1c(C)nsc1C ZINC000566746159 326079804 /nfs/dbraw/zinc/07/98/04/326079804.db2.gz VTJMHJVLWFXYKL-UHFFFAOYSA-N 0 3 226.389 3.380 20 0 BGADHN CC(C)n1ccc(CN[C@H]2C[C@H](C)CC[C@@H]2C)n1 ZINC000566777723 326080848 /nfs/dbraw/zinc/08/08/48/326080848.db2.gz NURHZAXVOYDROX-IPYPFGDCSA-N 0 3 249.402 3.378 20 0 BGADHN CC(C)n1ccc(CN[C@H]2C[C@H](C)CC[C@H]2C)n1 ZINC000566777730 326080738 /nfs/dbraw/zinc/08/07/38/326080738.db2.gz NURHZAXVOYDROX-NFAWXSAZSA-N 0 3 249.402 3.378 20 0 BGADHN CC(C)n1ccc(CN[C@@H]2C[C@H](C)CC[C@H]2C)n1 ZINC000566777731 326081104 /nfs/dbraw/zinc/08/11/04/326081104.db2.gz NURHZAXVOYDROX-UMVBOHGHSA-N 0 3 249.402 3.378 20 0 BGADHN CC(C)n1ccc(CN[C@@H]2C[C@H](C)CC[C@@H]2C)n1 ZINC000566777733 326080873 /nfs/dbraw/zinc/08/08/73/326080873.db2.gz NURHZAXVOYDROX-VNHYZAJKSA-N 0 3 249.402 3.378 20 0 BGADHN Cc1cccc(CNC2CC(C(C)(C)C)C2)n1 ZINC000566782708 326082273 /nfs/dbraw/zinc/08/22/73/326082273.db2.gz JBYTWWPOPPWBJD-UHFFFAOYSA-N 0 3 232.371 3.304 20 0 BGADHN C[C@H](Cc1ccsc1)N1CCSC[C@H]1C ZINC000566817530 326085723 /nfs/dbraw/zinc/08/57/23/326085723.db2.gz RNMYULOMXONAPZ-GHMZBOCLSA-N 0 3 241.425 3.116 20 0 BGADHN C[C@H](Cc1ccsc1)N1CCSC[C@@H]1C ZINC000566817535 326085699 /nfs/dbraw/zinc/08/56/99/326085699.db2.gz RNMYULOMXONAPZ-MNOVXSKESA-N 0 3 241.425 3.116 20 0 BGADHN C[C@@H](Cc1ccsc1)N1CCSC[C@@H]1C ZINC000566817536 326085476 /nfs/dbraw/zinc/08/54/76/326085476.db2.gz RNMYULOMXONAPZ-QWRGUYRKSA-N 0 3 241.425 3.116 20 0 BGADHN C[C@@H](Cc1ccsc1)N1CCSC[C@H]1C ZINC000566817538 326085534 /nfs/dbraw/zinc/08/55/34/326085534.db2.gz RNMYULOMXONAPZ-WDEREUQCSA-N 0 3 241.425 3.116 20 0 BGADHN CC1=C[C@H](C)C[C@@H](CN2CCO[C@H](C3CC3)C2)C1 ZINC000566827748 326085853 /nfs/dbraw/zinc/08/58/53/326085853.db2.gz CZPDUSXZPRDFHY-BJJXKVORSA-N 0 3 249.398 3.090 20 0 BGADHN CC1=C[C@H](C)C[C@H](CN2CCO[C@@H](C3CC3)C2)C1 ZINC000566827749 326086224 /nfs/dbraw/zinc/08/62/24/326086224.db2.gz CZPDUSXZPRDFHY-DUVNUKRYSA-N 0 3 249.398 3.090 20 0 BGADHN CC1=C[C@H](C)C[C@@H](CN2CCO[C@@H](C3CC3)C2)C1 ZINC000566827750 326086248 /nfs/dbraw/zinc/08/62/48/326086248.db2.gz CZPDUSXZPRDFHY-JGGQBBKZSA-N 0 3 249.398 3.090 20 0 BGADHN CC1=C[C@H](C)C[C@H](CN2CCO[C@H](C3CC3)C2)C1 ZINC000566827751 326086017 /nfs/dbraw/zinc/08/60/17/326086017.db2.gz CZPDUSXZPRDFHY-NOLJZWGESA-N 0 3 249.398 3.090 20 0 BGADHN Fc1cccc([C@H]2C[C@H](NCC3(F)CC3)C2)c1 ZINC000566834698 326086763 /nfs/dbraw/zinc/08/67/63/326086763.db2.gz ZQMNARUBUFVARH-AULYBMBSSA-N 0 3 237.293 3.163 20 0 BGADHN COc1cc(C)ccc1CNC1(C)CCC1 ZINC000566895654 326092017 /nfs/dbraw/zinc/09/20/17/326092017.db2.gz IBJLQTHZCHSNSM-UHFFFAOYSA-N 0 3 219.328 3.036 20 0 BGADHN CCO[C@@H]1CCCC[C@H]1N[C@@H](C)c1ccoc1 ZINC000566897260 326091882 /nfs/dbraw/zinc/09/18/82/326091882.db2.gz RBOLJSAEWAKWEY-IACUBPJLSA-N 0 3 237.343 3.278 20 0 BGADHN CCO[C@@H]1CCCC[C@H]1N[C@H](C)c1ccoc1 ZINC000566897261 326091271 /nfs/dbraw/zinc/09/12/71/326091271.db2.gz RBOLJSAEWAKWEY-MRVWCRGKSA-N 0 3 237.343 3.278 20 0 BGADHN FCC1(NCCc2cccc(Cl)c2)CCC1 ZINC000566914999 326094111 /nfs/dbraw/zinc/09/41/11/326094111.db2.gz NEIHAUSJKFMKFB-UHFFFAOYSA-N 0 3 241.737 3.364 20 0 BGADHN Cc1cc(OCC[C@@H](C)F)c(C)c(C)n1 ZINC000566923016 326094393 /nfs/dbraw/zinc/09/43/93/326094393.db2.gz BZQCAVVVLYEJFY-MRVPVSSYSA-N 0 3 211.280 3.134 20 0 BGADHN Cc1cc(OCC[C@H](C)F)c(C)c(C)n1 ZINC000566923017 326094607 /nfs/dbraw/zinc/09/46/07/326094607.db2.gz BZQCAVVVLYEJFY-QMMMGPOBSA-N 0 3 211.280 3.134 20 0 BGADHN CC(C)=CCN1CCOC2(C1)CCCCCC2 ZINC000566938183 326095686 /nfs/dbraw/zinc/09/56/86/326095686.db2.gz PGAALDHAUBQRIG-UHFFFAOYSA-N 0 3 237.387 3.378 20 0 BGADHN C=Cn1cc(CN2CCC(CC)(CC)CC2)cn1 ZINC000566953785 326096986 /nfs/dbraw/zinc/09/69/86/326096986.db2.gz NFHOHZYPBOWAQY-UHFFFAOYSA-N 0 3 247.386 3.386 20 0 BGADHN Cc1c(CN(C)CCCC2CCCC2)cnn1C ZINC000566954158 326096819 /nfs/dbraw/zinc/09/68/19/326096819.db2.gz LCXPSIHBHVMURL-UHFFFAOYSA-N 0 3 249.402 3.131 20 0 BGADHN C[C@H]1Cc2ccccc2[C@H]1N[C@H]1C[C@@H]1C(F)F ZINC000566965369 326097146 /nfs/dbraw/zinc/09/71/46/326097146.db2.gz DAAIVWDGUQINQE-WTFGDDLMSA-N 0 3 237.293 3.163 20 0 BGADHN C[C@@H]1Cc2ccccc2[C@H]1N[C@H]1C[C@@H]1C(F)F ZINC000566965370 326097283 /nfs/dbraw/zinc/09/72/83/326097283.db2.gz DAAIVWDGUQINQE-YJRXYDGGSA-N 0 3 237.293 3.163 20 0 BGADHN C[C@H]1Cc2ccccc2[C@@H]1N[C@H]1C[C@@H]1C(F)F ZINC000566965371 326097452 /nfs/dbraw/zinc/09/74/52/326097452.db2.gz DAAIVWDGUQINQE-ZBPZKIAKSA-N 0 3 237.293 3.163 20 0 BGADHN C[C@@H]1Cc2ccccc2[C@@H]1N[C@H]1C[C@@H]1C(F)F ZINC000566965372 326097136 /nfs/dbraw/zinc/09/71/36/326097136.db2.gz DAAIVWDGUQINQE-ZJNJWXDTSA-N 0 3 237.293 3.163 20 0 BGADHN CN(Cc1cc(F)cc(F)c1)C(C)(C)C ZINC000566970628 326097707 /nfs/dbraw/zinc/09/77/07/326097707.db2.gz CJQDQMJUFLSTGZ-UHFFFAOYSA-N 0 3 213.271 3.195 20 0 BGADHN Cc1ccc(CN2CC[C@@H](OC(C)C)C2)cc1C ZINC000566971640 326097971 /nfs/dbraw/zinc/09/79/71/326097971.db2.gz PJGQLXSUIHWKSC-MRXNPFEDSA-N 0 3 247.382 3.303 20 0 BGADHN c1nc(C2CC2)sc1CN[C@@H]1C[C@H]1C1CCC1 ZINC000567041734 326104190 /nfs/dbraw/zinc/10/41/90/326104190.db2.gz BYBBIYVPKDQTGV-QWHCGFSZSA-N 0 3 248.395 3.299 20 0 BGADHN C[C@@H](Cc1ccccc1F)N[C@H]1CCC[C@H]1F ZINC000567129031 326121922 /nfs/dbraw/zinc/12/19/22/326121922.db2.gz RIWXCWKLCVAMIM-GDLCADMTSA-N 0 3 239.309 3.237 20 0 BGADHN C[C@H](Cc1ccccc1F)N[C@H]1CCC[C@H]1F ZINC000567129032 326121774 /nfs/dbraw/zinc/12/17/74/326121774.db2.gz RIWXCWKLCVAMIM-HONMWMINSA-N 0 3 239.309 3.237 20 0 BGADHN CCc1cc(CNC[C@@H]2CC(C)=C[C@H](C)C2)on1 ZINC000567150667 326124598 /nfs/dbraw/zinc/12/45/98/326124598.db2.gz LMTXNRINAIRNRO-AAEUAGOBSA-N 0 3 248.370 3.319 20 0 BGADHN CCc1cc(CNC[C@H]2CC(C)=C[C@@H](C)C2)on1 ZINC000567150668 326124433 /nfs/dbraw/zinc/12/44/33/326124433.db2.gz LMTXNRINAIRNRO-DGCLKSJQSA-N 0 3 248.370 3.319 20 0 BGADHN CCc1cc(CNC[C@H]2CC(C)=C[C@H](C)C2)on1 ZINC000567150669 326124662 /nfs/dbraw/zinc/12/46/62/326124662.db2.gz LMTXNRINAIRNRO-WCQYABFASA-N 0 3 248.370 3.319 20 0 BGADHN CCc1cc(CNC[C@@H]2CC(C)=C[C@@H](C)C2)on1 ZINC000567150670 326124470 /nfs/dbraw/zinc/12/44/70/326124470.db2.gz LMTXNRINAIRNRO-YPMHNXCESA-N 0 3 248.370 3.319 20 0 BGADHN COc1ccc([C@@H](C)NCCCF)c(Cl)c1 ZINC000567159843 326126352 /nfs/dbraw/zinc/12/63/52/326126352.db2.gz UKAMEOKKNUUKOI-SECBINFHSA-N 0 3 245.725 3.359 20 0 BGADHN COc1ccc([C@H](C)NCCCF)c(Cl)c1 ZINC000567159844 326126400 /nfs/dbraw/zinc/12/64/00/326126400.db2.gz UKAMEOKKNUUKOI-VIFPVBQESA-N 0 3 245.725 3.359 20 0 BGADHN CCC[C@@H](CC)NCc1noc2ccccc12 ZINC000567178361 326130648 /nfs/dbraw/zinc/13/06/48/326130648.db2.gz GSOOIBYQXAYJEJ-LLVKDONJSA-N 0 3 232.327 3.496 20 0 BGADHN CCC[C@H](CC)NCc1noc2ccccc12 ZINC000567178362 326130567 /nfs/dbraw/zinc/13/05/67/326130567.db2.gz GSOOIBYQXAYJEJ-NSHDSACASA-N 0 3 232.327 3.496 20 0 BGADHN CC1=CC[C@@H](NCc2noc3ccccc32)CC1 ZINC000567179611 326130594 /nfs/dbraw/zinc/13/05/94/326130594.db2.gz MWRPITBHBNWYFK-GFCCVEGCSA-N 0 3 242.322 3.416 20 0 BGADHN CC1=CC[C@H](NCc2noc3ccccc32)CC1 ZINC000567179612 326130559 /nfs/dbraw/zinc/13/05/59/326130559.db2.gz MWRPITBHBNWYFK-LBPRGKRZSA-N 0 3 242.322 3.416 20 0 BGADHN CCC(CC)(CC)CNCc1nc(C)c(C)[nH]1 ZINC000567180454 326131114 /nfs/dbraw/zinc/13/11/14/326131114.db2.gz JTTYYRBMQNIVGC-UHFFFAOYSA-N 0 3 237.391 3.333 20 0 BGADHN CC[C@H](N[C@H](C)c1cscn1)[C@@H]1C[C@H]1C ZINC000567180475 353173412 /nfs/dbraw/zinc/17/34/12/353173412.db2.gz KQXSSKLQPWRYDV-DBIOUOCHSA-N 0 3 224.373 3.228 20 0 BGADHN CC[C@H](N[C@H](C)c1cscn1)[C@H]1C[C@@H]1C ZINC000567180476 353173480 /nfs/dbraw/zinc/17/34/80/353173480.db2.gz KQXSSKLQPWRYDV-VLEAKVRGSA-N 0 3 224.373 3.228 20 0 BGADHN CC[C@H](N[C@H](C)c1cscn1)[C@@H]1C[C@@H]1C ZINC000567180477 353173484 /nfs/dbraw/zinc/17/34/84/353173484.db2.gz KQXSSKLQPWRYDV-ZDCRXTMVSA-N 0 3 224.373 3.228 20 0 BGADHN CC[C@H](N[C@H](C)c1cscn1)[C@H]1C[C@H]1C ZINC000567180478 353173381 /nfs/dbraw/zinc/17/33/81/353173381.db2.gz KQXSSKLQPWRYDV-ZNSHCXBVSA-N 0 3 224.373 3.228 20 0 BGADHN C[C@H](CN1CCO[C@@H]2CCC[C@H]21)c1ccccc1 ZINC000567196573 323174785 /nfs/dbraw/zinc/17/47/85/323174785.db2.gz NEJQQYMDMKMAFN-FVQBIDKESA-N 0 3 245.366 3.043 20 0 BGADHN C[C@H](CN1CCO[C@H]2CCC[C@@H]21)c1ccccc1 ZINC000567196574 323174726 /nfs/dbraw/zinc/17/47/26/323174726.db2.gz NEJQQYMDMKMAFN-KBMXLJTQSA-N 0 3 245.366 3.043 20 0 BGADHN C[C@H](CN1CCO[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000567196575 323174761 /nfs/dbraw/zinc/17/47/61/323174761.db2.gz NEJQQYMDMKMAFN-VNQPRFMTSA-N 0 3 245.366 3.043 20 0 BGADHN CC(C)(C)[C@H]1C[C@@H](NC2(CF)CCC2)CS1 ZINC000567236021 326148435 /nfs/dbraw/zinc/14/84/35/326148435.db2.gz BQDVJRIFBZDYHC-GHMZBOCLSA-N 0 3 245.407 3.388 20 0 BGADHN CC(C)(C)[C@@H]1C[C@@H](NC2(CF)CCC2)CS1 ZINC000567236022 326148629 /nfs/dbraw/zinc/14/86/29/326148629.db2.gz BQDVJRIFBZDYHC-MNOVXSKESA-N 0 3 245.407 3.388 20 0 BGADHN CC(C)(C)[C@@H]1C[C@H](NC2(CF)CCC2)CS1 ZINC000567236023 326148600 /nfs/dbraw/zinc/14/86/00/326148600.db2.gz BQDVJRIFBZDYHC-QWRGUYRKSA-N 0 3 245.407 3.388 20 0 BGADHN CC(C)(C)[C@H]1C[C@H](NC2(CF)CCC2)CS1 ZINC000567236024 326148518 /nfs/dbraw/zinc/14/85/18/326148518.db2.gz BQDVJRIFBZDYHC-WDEREUQCSA-N 0 3 245.407 3.388 20 0 BGADHN Cc1nc(CNCC(C)(C)C2CCCC2)[nH]c1C ZINC000567250161 326150601 /nfs/dbraw/zinc/15/06/01/326150601.db2.gz CFOBQQFMWFVBKL-UHFFFAOYSA-N 0 3 249.402 3.333 20 0 BGADHN CC[C@H](C)N1CC[C@](F)(c2ccccc2)C1 ZINC000567252388 326150556 /nfs/dbraw/zinc/15/05/56/326150556.db2.gz CTISEFPAQMVTHE-GXTWGEPZSA-N 0 3 221.319 3.356 20 0 BGADHN CC[C@H](C)N1CC[C@@](F)(c2ccccc2)C1 ZINC000567252389 326150570 /nfs/dbraw/zinc/15/05/70/326150570.db2.gz CTISEFPAQMVTHE-JSGCOSHPSA-N 0 3 221.319 3.356 20 0 BGADHN CC[C@@H](C)N1CC[C@@](F)(c2ccccc2)C1 ZINC000567252390 326150525 /nfs/dbraw/zinc/15/05/25/326150525.db2.gz CTISEFPAQMVTHE-OCCSQVGLSA-N 0 3 221.319 3.356 20 0 BGADHN CC[C@@H](C)N1CC[C@](F)(c2ccccc2)C1 ZINC000567252391 326150441 /nfs/dbraw/zinc/15/04/41/326150441.db2.gz CTISEFPAQMVTHE-TZMCWYRMSA-N 0 3 221.319 3.356 20 0 BGADHN FCC1(NCc2ccnc3ccccc23)CCC1 ZINC000567268599 326154177 /nfs/dbraw/zinc/15/41/77/326154177.db2.gz JOIWCOUSVKCMIH-UHFFFAOYSA-N 0 3 244.313 3.217 20 0 BGADHN Cc1cccc(CNC2(CF)CCC2)c1C ZINC000567352180 326171800 /nfs/dbraw/zinc/17/18/00/326171800.db2.gz SJRFWOJMXAFZFW-UHFFFAOYSA-N 0 3 221.319 3.285 20 0 BGADHN C[C@@H]1CN(CC2=CCCCC2)CC2(CCC2)O1 ZINC000567382676 326180259 /nfs/dbraw/zinc/18/02/59/326180259.db2.gz RQJBHLOWKSYBIL-CYBMUJFWSA-N 0 3 235.371 3.130 20 0 BGADHN C[C@H]1CN(CC2=CCCCC2)CC2(CCC2)O1 ZINC000567382677 326180234 /nfs/dbraw/zinc/18/02/34/326180234.db2.gz RQJBHLOWKSYBIL-ZDUSSCGKSA-N 0 3 235.371 3.130 20 0 BGADHN Cc1nc(CNCCCC2CCCC2)[nH]c1C ZINC000567407803 326185398 /nfs/dbraw/zinc/18/53/98/326185398.db2.gz KHVXNGOMVPIXNI-UHFFFAOYSA-N 0 3 235.375 3.087 20 0 BGADHN C(=C/c1ccccc1)\CN1CC(C2CCC2)C1 ZINC000567428889 326188429 /nfs/dbraw/zinc/18/84/29/326188429.db2.gz WNMCUFKUYCNSGY-VMPITWQZSA-N 0 3 227.351 3.432 20 0 BGADHN C(=C\c1ccccc1)\CN1CC(C2CCC2)C1 ZINC000567428890 326188506 /nfs/dbraw/zinc/18/85/06/326188506.db2.gz WNMCUFKUYCNSGY-YVMONPNESA-N 0 3 227.351 3.432 20 0 BGADHN CCO[C@@H]1C[C@@H]1N[C@@H](C)c1cccc(C)c1C ZINC000567451336 326194654 /nfs/dbraw/zinc/19/46/54/326194654.db2.gz DYFYVQYCUKQUQP-AEGPPILISA-N 0 3 233.355 3.131 20 0 BGADHN CCO[C@@H]1C[C@H]1N[C@H](C)c1cccc(C)c1C ZINC000567451337 326194638 /nfs/dbraw/zinc/19/46/38/326194638.db2.gz DYFYVQYCUKQUQP-BPLDGKMQSA-N 0 3 233.355 3.131 20 0 BGADHN CCO[C@@H]1C[C@H]1N[C@@H](C)c1cccc(C)c1C ZINC000567451338 326195056 /nfs/dbraw/zinc/19/50/56/326195056.db2.gz DYFYVQYCUKQUQP-NWANDNLSSA-N 0 3 233.355 3.131 20 0 BGADHN CCO[C@@H]1C[C@@H]1N[C@H](C)c1cccc(C)c1C ZINC000567451339 326193343 /nfs/dbraw/zinc/19/33/43/326193343.db2.gz DYFYVQYCUKQUQP-VHDGCEQUSA-N 0 3 233.355 3.131 20 0 BGADHN CCC(CC)N[C@H](c1ccccc1F)[C@H](C)O ZINC000567507854 326207156 /nfs/dbraw/zinc/20/71/56/326207156.db2.gz SGVPPCOXPKBUIV-HZMBPMFUSA-N 0 3 239.334 3.026 20 0 BGADHN CCC(CC)N[C@@H](c1ccccc1F)[C@H](C)O ZINC000567507855 326207183 /nfs/dbraw/zinc/20/71/83/326207183.db2.gz SGVPPCOXPKBUIV-IINYFYTJSA-N 0 3 239.334 3.026 20 0 BGADHN CCC(CC)N[C@@H](c1ccccc1F)[C@@H](C)O ZINC000567507856 326207150 /nfs/dbraw/zinc/20/71/50/326207150.db2.gz SGVPPCOXPKBUIV-QMTHXVAHSA-N 0 3 239.334 3.026 20 0 BGADHN CCC(CC)N[C@H](c1ccccc1F)[C@@H](C)O ZINC000567507857 326207242 /nfs/dbraw/zinc/20/72/42/326207242.db2.gz SGVPPCOXPKBUIV-YGRLFVJLSA-N 0 3 239.334 3.026 20 0 BGADHN Cc1ccc2nccc(N[C@H]3C[C@@H]3C(F)F)c2c1 ZINC000567534242 326211287 /nfs/dbraw/zinc/21/12/87/326211287.db2.gz NHABTIQBCWWUTM-GWCFXTLKSA-N 0 3 248.276 3.031 20 0 BGADHN CC(C)n1cncc1CN(C1CC1)C1CCCC1 ZINC000567583483 326222748 /nfs/dbraw/zinc/22/27/48/326222748.db2.gz VJNWCBWEQBXYEL-UHFFFAOYSA-N 0 3 247.386 3.371 20 0 BGADHN CC(C)[C@@H]1CC[C@@H](NCc2ccno2)C[C@H]1C ZINC000567588992 326224030 /nfs/dbraw/zinc/22/40/30/326224030.db2.gz RUOYGHRQRMLBPH-BZPMIXESSA-N 0 3 236.359 3.225 20 0 BGADHN CC(C)[C@@H]1CC[C@H](NCc2ccno2)C[C@H]1C ZINC000567588993 326224104 /nfs/dbraw/zinc/22/41/04/326224104.db2.gz RUOYGHRQRMLBPH-DYEKYZERSA-N 0 3 236.359 3.225 20 0 BGADHN CC(C)[C@@H]1CC[C@H](NCc2ccno2)C[C@@H]1C ZINC000567588994 326224082 /nfs/dbraw/zinc/22/40/82/326224082.db2.gz RUOYGHRQRMLBPH-OBJOEFQTSA-N 0 3 236.359 3.225 20 0 BGADHN CC(C)[C@@H]1CC[C@@H](NCc2ccno2)C[C@@H]1C ZINC000567588995 326223946 /nfs/dbraw/zinc/22/39/46/326223946.db2.gz RUOYGHRQRMLBPH-SCRDCRAPSA-N 0 3 236.359 3.225 20 0 BGADHN C1=C[C@H](N2CCN(C3CCC3)CC2)CCCCC1 ZINC000567633198 326235419 /nfs/dbraw/zinc/23/54/19/326235419.db2.gz RWYYQXRAWWVEDO-HNNXBMFYSA-N 0 3 248.414 3.045 20 0 BGADHN C1=C[C@@H](N2CCN(C3CCC3)CC2)CCCCC1 ZINC000567633199 326235700 /nfs/dbraw/zinc/23/57/00/326235700.db2.gz RWYYQXRAWWVEDO-OAHLLOKOSA-N 0 3 248.414 3.045 20 0 BGADHN CCCC[C@@H](CC)CN(C)C(C)(C)C(=O)OC ZINC000567654961 326239246 /nfs/dbraw/zinc/23/92/46/326239246.db2.gz GGKHDJDIJXQUPM-GFCCVEGCSA-N 0 3 243.391 3.086 20 0 BGADHN CCCC[C@H](CC)CN(C)C(C)(C)C(=O)OC ZINC000567654962 326239067 /nfs/dbraw/zinc/23/90/67/326239067.db2.gz GGKHDJDIJXQUPM-LBPRGKRZSA-N 0 3 243.391 3.086 20 0 BGADHN Fc1ccc(CN[C@@H]2C[C@H]2C2CCC2)c(F)c1 ZINC000567661340 326240076 /nfs/dbraw/zinc/24/00/76/326240076.db2.gz CBDZAUYSNRKNCA-GXTWGEPZSA-N 0 3 237.293 3.243 20 0 BGADHN COc1c2ccccc2oc1CNCC1(C)CC1 ZINC000567664769 326241171 /nfs/dbraw/zinc/24/11/71/326241171.db2.gz LNZMBXAPQAPJKY-UHFFFAOYSA-N 0 3 245.322 3.331 20 0 BGADHN FCC1(NCc2cccc3cc[nH]c32)CCC1 ZINC000567733680 326252686 /nfs/dbraw/zinc/25/26/86/326252686.db2.gz LSVXLEDQGIGGOB-UHFFFAOYSA-N 0 3 232.302 3.150 20 0 BGADHN C[C@H](NCc1noc2ccccc21)C1CCC1 ZINC000567752389 326255392 /nfs/dbraw/zinc/25/53/92/326255392.db2.gz INFXHLPUECMDJQ-JTQLQIEISA-N 0 3 230.311 3.106 20 0 BGADHN C[C@@H](NCc1noc2ccccc21)C1CCC1 ZINC000567752390 326255530 /nfs/dbraw/zinc/25/55/30/326255530.db2.gz INFXHLPUECMDJQ-SNVBAGLBSA-N 0 3 230.311 3.106 20 0 BGADHN CN(Cc1ccc(F)cc1F)C(C)(C)C ZINC000567810789 326260806 /nfs/dbraw/zinc/26/08/06/326260806.db2.gz HNOJLFPLRDFVJR-UHFFFAOYSA-N 0 3 213.271 3.195 20 0 BGADHN Cc1ccc(F)c(CN(C)C(C)(C)C)c1 ZINC000567810790 326261137 /nfs/dbraw/zinc/26/11/37/326261137.db2.gz HPKQRAOLYWBOOW-UHFFFAOYSA-N 0 3 209.308 3.364 20 0 BGADHN Cc1ccc2c(c1)[C@H](N[C@@H](C)[C@@H]1CC1(C)C)CO2 ZINC000567817936 326262838 /nfs/dbraw/zinc/26/28/38/326262838.db2.gz MBJBNWPZSVIXJP-FPMFFAJLSA-N 0 3 245.366 3.453 20 0 BGADHN Cc1ccc2c(c1)[C@H](N[C@@H](C)[C@H]1CC1(C)C)CO2 ZINC000567817943 326262710 /nfs/dbraw/zinc/26/27/10/326262710.db2.gz MBJBNWPZSVIXJP-IACUBPJLSA-N 0 3 245.366 3.453 20 0 BGADHN Cc1ccc2c(c1)[C@H](N[C@H](C)[C@@H]1CC1(C)C)CO2 ZINC000567817944 326262752 /nfs/dbraw/zinc/26/27/52/326262752.db2.gz MBJBNWPZSVIXJP-KWCYVHTRSA-N 0 3 245.366 3.453 20 0 BGADHN Cc1ccc2c(c1)[C@H](N[C@H](C)[C@H]1CC1(C)C)CO2 ZINC000567817945 326262760 /nfs/dbraw/zinc/26/27/60/326262760.db2.gz MBJBNWPZSVIXJP-MRVWCRGKSA-N 0 3 245.366 3.453 20 0 BGADHN CCc1ncc(CN[C@@H]2CCC[C@@H](F)C2)s1 ZINC000567854068 326271010 /nfs/dbraw/zinc/27/10/10/326271010.db2.gz YFTLUJVBPSVEAP-NXEZZACHSA-N 0 3 242.363 3.076 20 0 BGADHN CCc1ncc(CN[C@H]2CCC[C@H](F)C2)s1 ZINC000567854069 326271093 /nfs/dbraw/zinc/27/10/93/326271093.db2.gz YFTLUJVBPSVEAP-UWVGGRQHSA-N 0 3 242.363 3.076 20 0 BGADHN CCc1ncc(CN[C@@H]2CCC[C@H](F)C2)s1 ZINC000567854070 326271059 /nfs/dbraw/zinc/27/10/59/326271059.db2.gz YFTLUJVBPSVEAP-VHSXEESVSA-N 0 3 242.363 3.076 20 0 BGADHN CCc1ncc(CN[C@H]2CCC[C@@H](F)C2)s1 ZINC000567854071 326271338 /nfs/dbraw/zinc/27/13/38/326271338.db2.gz YFTLUJVBPSVEAP-ZJUUUORDSA-N 0 3 242.363 3.076 20 0 BGADHN C[C@@H]1CCCN(Cc2ccc3c(n2)CCC3)CC1 ZINC000567854917 326271749 /nfs/dbraw/zinc/27/17/49/326271749.db2.gz VXGLMJFXMAZGPX-CYBMUJFWSA-N 0 3 244.382 3.192 20 0 BGADHN C[C@H]1CCCN(Cc2ccc3c(n2)CCC3)CC1 ZINC000567854918 326271520 /nfs/dbraw/zinc/27/15/20/326271520.db2.gz VXGLMJFXMAZGPX-ZDUSSCGKSA-N 0 3 244.382 3.192 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@@H](F)C1)c1ccc(F)cn1 ZINC000567856406 326271711 /nfs/dbraw/zinc/27/17/11/326271711.db2.gz JQELXYIPZWEPIC-HOSYDEDBSA-N 0 3 240.297 3.152 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@H](F)C1)c1ccc(F)cn1 ZINC000567856407 326271532 /nfs/dbraw/zinc/27/15/32/326271532.db2.gz JQELXYIPZWEPIC-JBLDHEPKSA-N 0 3 240.297 3.152 20 0 BGADHN C[C@H](N[C@H]1CCC[C@H](F)C1)c1ccc(F)cn1 ZINC000567856408 326271492 /nfs/dbraw/zinc/27/14/92/326271492.db2.gz JQELXYIPZWEPIC-NHCYSSNCSA-N 0 3 240.297 3.152 20 0 BGADHN C[C@H](N[C@H]1CCC[C@@H](F)C1)c1ccc(F)cn1 ZINC000567856409 326271731 /nfs/dbraw/zinc/27/17/31/326271731.db2.gz JQELXYIPZWEPIC-UMNHJUIQSA-N 0 3 240.297 3.152 20 0 BGADHN CCC[C@H](N[C@@H]1CO[C@@H](C)C1)c1ccsc1 ZINC000567857750 326272067 /nfs/dbraw/zinc/27/20/67/326272067.db2.gz MHQCGQBTLYCRMP-DRZSPHRISA-N 0 3 239.384 3.356 20 0 BGADHN CCC[C@H](N[C@H]1CO[C@H](C)C1)c1ccsc1 ZINC000567857751 326271486 /nfs/dbraw/zinc/27/14/86/326271486.db2.gz MHQCGQBTLYCRMP-RTXFEEFZSA-N 0 3 239.384 3.356 20 0 BGADHN CCC[C@H](N[C@H]1CO[C@@H](C)C1)c1ccsc1 ZINC000567857752 326271543 /nfs/dbraw/zinc/27/15/43/326271543.db2.gz MHQCGQBTLYCRMP-UHTWSYAYSA-N 0 3 239.384 3.356 20 0 BGADHN CCC[C@H](N[C@@H]1CO[C@H](C)C1)c1ccsc1 ZINC000567857753 326271538 /nfs/dbraw/zinc/27/15/38/326271538.db2.gz MHQCGQBTLYCRMP-WXHSDQCUSA-N 0 3 239.384 3.356 20 0 BGADHN C[C@@H]1CC(C)(C)CN1Cc1ccc2c(n1)CCC2 ZINC000567864437 326272903 /nfs/dbraw/zinc/27/29/03/326272903.db2.gz VJYSNJXDBHEXHX-GFCCVEGCSA-N 0 3 244.382 3.191 20 0 BGADHN C[C@H]1CC(C)(C)CN1Cc1ccc2c(n1)CCC2 ZINC000567864438 326272841 /nfs/dbraw/zinc/27/28/41/326272841.db2.gz VJYSNJXDBHEXHX-LBPRGKRZSA-N 0 3 244.382 3.191 20 0 BGADHN CC[C@H](C)[C@H](C)N[C@@H](C)c1cn2ccccc2n1 ZINC000567924461 326284148 /nfs/dbraw/zinc/28/41/48/326284148.db2.gz GCEGKTSNVWZVSS-AVGNSLFASA-N 0 3 245.370 3.420 20 0 BGADHN CC[C@H](C)[C@H](C)N[C@H](C)c1cn2ccccc2n1 ZINC000567924462 326284135 /nfs/dbraw/zinc/28/41/35/326284135.db2.gz GCEGKTSNVWZVSS-RWMBFGLXSA-N 0 3 245.370 3.420 20 0 BGADHN CC[C@H](C)[C@@H](C)N[C@@H](C)c1cn2ccccc2n1 ZINC000567924463 326284273 /nfs/dbraw/zinc/28/42/73/326284273.db2.gz GCEGKTSNVWZVSS-XQQFMLRXSA-N 0 3 245.370 3.420 20 0 BGADHN CC[C@H](C)[C@@H](C)N[C@H](C)c1cn2ccccc2n1 ZINC000567924464 326284159 /nfs/dbraw/zinc/28/41/59/326284159.db2.gz GCEGKTSNVWZVSS-YNEHKIRRSA-N 0 3 245.370 3.420 20 0 BGADHN CCC(CC)CN(CC)Cc1snnc1C ZINC000567989392 326292281 /nfs/dbraw/zinc/29/22/81/326292281.db2.gz FLCRCPIVFPPMMJ-UHFFFAOYSA-N 0 3 241.404 3.105 20 0 BGADHN COc1cc(CNCCC(F)(F)F)ccc1C ZINC000568021150 326297210 /nfs/dbraw/zinc/29/72/10/326297210.db2.gz WQDFIGJZGOIVIM-UHFFFAOYSA-N 0 3 247.260 3.046 20 0 BGADHN CCCCN(C)Cc1ccc(OC)cc1F ZINC000568031293 326298316 /nfs/dbraw/zinc/29/83/16/326298316.db2.gz SQXUWOBCFGIBPK-UHFFFAOYSA-N 0 3 225.307 3.066 20 0 BGADHN CCc1cccc(CNC2CC(F)(F)C2)c1 ZINC000568033811 326298540 /nfs/dbraw/zinc/29/85/40/326298540.db2.gz ZXFMJJOKACPRBL-UHFFFAOYSA-N 0 3 225.282 3.136 20 0 BGADHN CO[C@@](C)([C@@H](C)N[C@H](C)c1ccoc1)C1CC1 ZINC000568051716 326301143 /nfs/dbraw/zinc/30/11/43/326301143.db2.gz CAJLXWIIWZAXGP-GYSYKLTISA-N 0 3 237.343 3.134 20 0 BGADHN CO[C@@](C)([C@H](C)N[C@@H](C)c1ccoc1)C1CC1 ZINC000568051717 326301175 /nfs/dbraw/zinc/30/11/75/326301175.db2.gz CAJLXWIIWZAXGP-MJVIPROJSA-N 0 3 237.343 3.134 20 0 BGADHN CO[C@@](C)([C@H](C)N[C@H](C)c1ccoc1)C1CC1 ZINC000568051718 326301265 /nfs/dbraw/zinc/30/12/65/326301265.db2.gz CAJLXWIIWZAXGP-SUNKGSAMSA-N 0 3 237.343 3.134 20 0 BGADHN CO[C@@](C)([C@@H](C)N[C@@H](C)c1ccoc1)C1CC1 ZINC000568051719 326301021 /nfs/dbraw/zinc/30/10/21/326301021.db2.gz CAJLXWIIWZAXGP-WDMOLILDSA-N 0 3 237.343 3.134 20 0 BGADHN Cc1cc(OCc2nccs2)c(C)c(C)n1 ZINC000568069251 326303343 /nfs/dbraw/zinc/30/33/43/326303343.db2.gz LQNFHFOCJWEJLV-UHFFFAOYSA-N 0 3 234.324 3.042 20 0 BGADHN Fc1cccc(F)c1CN[C@@H]1CCC[C@@H](F)C1 ZINC000568087773 326306659 /nfs/dbraw/zinc/30/66/59/326306659.db2.gz UURNJMLGEKBDGE-NXEZZACHSA-N 0 3 243.272 3.335 20 0 BGADHN Fc1cccc(F)c1CN[C@H]1CCC[C@H](F)C1 ZINC000568087774 326305414 /nfs/dbraw/zinc/30/54/14/326305414.db2.gz UURNJMLGEKBDGE-UWVGGRQHSA-N 0 3 243.272 3.335 20 0 BGADHN Fc1cccc(F)c1CN[C@@H]1CCC[C@H](F)C1 ZINC000568087775 326305287 /nfs/dbraw/zinc/30/52/87/326305287.db2.gz UURNJMLGEKBDGE-VHSXEESVSA-N 0 3 243.272 3.335 20 0 BGADHN Fc1cccc(F)c1CN[C@H]1CCC[C@@H](F)C1 ZINC000568087776 326305304 /nfs/dbraw/zinc/30/53/04/326305304.db2.gz UURNJMLGEKBDGE-ZJUUUORDSA-N 0 3 243.272 3.335 20 0 BGADHN CCCCN(CCCC)Cc1c(C)cnn1C ZINC000568100902 326307891 /nfs/dbraw/zinc/30/78/91/326307891.db2.gz MRJNQYFDQOJOJB-UHFFFAOYSA-N 0 3 237.391 3.131 20 0 BGADHN Cc1ccc2c(c1)[C@H](N[C@H]1CC[C@H]1C(C)C)CO2 ZINC000568119073 326310460 /nfs/dbraw/zinc/31/04/60/326310460.db2.gz CDWLZHIMXLISEA-AEGPPILISA-N 0 3 245.366 3.453 20 0 BGADHN Cc1ccc2c(c1)[C@H](N[C@@H]1CC[C@@H]1C(C)C)CO2 ZINC000568119074 326310526 /nfs/dbraw/zinc/31/05/26/326310526.db2.gz CDWLZHIMXLISEA-BPLDGKMQSA-N 0 3 245.366 3.453 20 0 BGADHN Cc1ccc2c(c1)[C@H](N[C@@H]1CC[C@H]1C(C)C)CO2 ZINC000568119075 326310304 /nfs/dbraw/zinc/31/03/04/326310304.db2.gz CDWLZHIMXLISEA-NWANDNLSSA-N 0 3 245.366 3.453 20 0 BGADHN Cc1ccc2c(c1)[C@H](N[C@H]1CC[C@@H]1C(C)C)CO2 ZINC000568119076 326310279 /nfs/dbraw/zinc/31/02/79/326310279.db2.gz CDWLZHIMXLISEA-VHDGCEQUSA-N 0 3 245.366 3.453 20 0 BGADHN Cc1nsc(C)c1CN1CCC[C@H](C)[C@H]1C ZINC000568164207 326317095 /nfs/dbraw/zinc/31/70/95/326317095.db2.gz MNHPFINEZITBGO-GXSJLCMTSA-N 0 3 238.400 3.380 20 0 BGADHN Cc1nsc(C)c1CN1CCC[C@@H](C)[C@@H]1C ZINC000568164208 326316956 /nfs/dbraw/zinc/31/69/56/326316956.db2.gz MNHPFINEZITBGO-KOLCDFICSA-N 0 3 238.400 3.380 20 0 BGADHN Cc1nsc(C)c1CN1CCC[C@@H](C)[C@H]1C ZINC000568164209 326317231 /nfs/dbraw/zinc/31/72/31/326317231.db2.gz MNHPFINEZITBGO-MWLCHTKSSA-N 0 3 238.400 3.380 20 0 BGADHN Cc1nsc(C)c1CN1CCC[C@H](C)[C@@H]1C ZINC000568164210 326317062 /nfs/dbraw/zinc/31/70/62/326317062.db2.gz MNHPFINEZITBGO-ONGXEEELSA-N 0 3 238.400 3.380 20 0 BGADHN Cc1nsc(C)c1CN(C)[C@@H]1CC[C@@H](C)C1 ZINC000568166869 326318492 /nfs/dbraw/zinc/31/84/92/326318492.db2.gz VYHCKTVRPJQGTC-BXKDBHETSA-N 0 3 238.400 3.380 20 0 BGADHN Cc1nsc(C)c1CN(C)[C@H]1CC[C@H](C)C1 ZINC000568166870 326318327 /nfs/dbraw/zinc/31/83/27/326318327.db2.gz VYHCKTVRPJQGTC-CABZTGNLSA-N 0 3 238.400 3.380 20 0 BGADHN Cc1nsc(C)c1CN(C)[C@@H]1CC[C@H](C)C1 ZINC000568166871 326318071 /nfs/dbraw/zinc/31/80/71/326318071.db2.gz VYHCKTVRPJQGTC-JOYOIKCWSA-N 0 3 238.400 3.380 20 0 BGADHN Cc1nsc(C)c1CN(C)[C@H]1CC[C@@H](C)C1 ZINC000568166872 326318213 /nfs/dbraw/zinc/31/82/13/326318213.db2.gz VYHCKTVRPJQGTC-SKDRFNHKSA-N 0 3 238.400 3.380 20 0 BGADHN CC[C@@H](C)CN(C)Cc1c(C)nsc1C ZINC000568169697 326318859 /nfs/dbraw/zinc/31/88/59/326318859.db2.gz RBXIFZGQKLSYRG-SECBINFHSA-N 0 3 226.389 3.238 20 0 BGADHN CC[C@H](C)CN(C)Cc1c(C)nsc1C ZINC000568169698 326318950 /nfs/dbraw/zinc/31/89/50/326318950.db2.gz RBXIFZGQKLSYRG-VIFPVBQESA-N 0 3 226.389 3.238 20 0 BGADHN CCCN(Cc1ccc(F)cc1C#N)C(C)C ZINC000568182881 326316681 /nfs/dbraw/zinc/31/66/81/326316681.db2.gz BSOCCFIXTNTTTJ-UHFFFAOYSA-N 0 3 234.318 3.318 20 0 BGADHN CCCN(Cc1cccc(OCC)n1)C(C)C ZINC000568183151 326322302 /nfs/dbraw/zinc/32/23/02/326322302.db2.gz KXVCYVYOVUNKLM-UHFFFAOYSA-N 0 3 236.359 3.101 20 0 BGADHN CCCN(Cc1ccn(C(C)C)n1)C(C)C ZINC000568183165 326322356 /nfs/dbraw/zinc/32/23/56/326322356.db2.gz LMKBVJKMIBVWON-UHFFFAOYSA-N 0 3 223.364 3.084 20 0 BGADHN CCCN(CC(=O)Nc1cccc(C)c1)C(C)C ZINC000568183325 326321981 /nfs/dbraw/zinc/32/19/81/326321981.db2.gz QQDMHVAKYGTOQP-UHFFFAOYSA-N 0 3 248.370 3.054 20 0 BGADHN CCCN(Cc1nc2ccccc2o1)C(C)C ZINC000568183542 326322254 /nfs/dbraw/zinc/32/22/54/326322254.db2.gz XQSDZTLFVPPAJZ-UHFFFAOYSA-N 0 3 232.327 3.448 20 0 BGADHN CC(C)C[C@@H](C)NCc1noc2ccccc12 ZINC000568237530 322929534 /nfs/dbraw/zinc/92/95/34/322929534.db2.gz CBEYVXXGAYJZFR-LLVKDONJSA-N 0 3 232.327 3.352 20 0 BGADHN CC(C)C[C@H](C)NCc1noc2ccccc12 ZINC000568237531 384557149 /nfs/dbraw/zinc/55/71/49/384557149.db2.gz CBEYVXXGAYJZFR-NSHDSACASA-N 0 3 232.327 3.352 20 0 BGADHN C[C@@H]1CC[C@@H](NCc2noc3ccccc32)C1 ZINC000568238468 326332420 /nfs/dbraw/zinc/33/24/20/326332420.db2.gz VOIQMFPSKWHCQK-GHMZBOCLSA-N 0 3 230.311 3.106 20 0 BGADHN C[C@@H]1CC[C@H](NCc2noc3ccccc32)C1 ZINC000568238469 326332445 /nfs/dbraw/zinc/33/24/45/326332445.db2.gz VOIQMFPSKWHCQK-MNOVXSKESA-N 0 3 230.311 3.106 20 0 BGADHN C[C@H]1CC[C@H](NCc2noc3ccccc32)C1 ZINC000568238470 326332414 /nfs/dbraw/zinc/33/24/14/326332414.db2.gz VOIQMFPSKWHCQK-QWRGUYRKSA-N 0 3 230.311 3.106 20 0 BGADHN C[C@H]1CC[C@@H](NCc2noc3ccccc32)C1 ZINC000568238471 326332493 /nfs/dbraw/zinc/33/24/93/326332493.db2.gz VOIQMFPSKWHCQK-WDEREUQCSA-N 0 3 230.311 3.106 20 0 BGADHN CCc1nocc1COc1cc(C)nc(C)c1C ZINC000568240400 326332760 /nfs/dbraw/zinc/33/27/60/326332760.db2.gz LEFSKNJYDDCAEE-UHFFFAOYSA-N 0 3 246.310 3.136 20 0 BGADHN Cc1cc(OCCC(C)(F)F)c(C)c(C)n1 ZINC000568240432 326332783 /nfs/dbraw/zinc/33/27/83/326332783.db2.gz MFTMWTPBZLMBJA-UHFFFAOYSA-N 0 3 229.270 3.431 20 0 BGADHN CCCC[C@H]1CCC[C@@H]1NCc1nc(C)c(C)[nH]1 ZINC000568269484 326338095 /nfs/dbraw/zinc/33/80/95/326338095.db2.gz MQBDMGALIIZLPV-KBPBESRZSA-N 0 3 249.402 3.475 20 0 BGADHN CCCC[C@@H]1CCC[C@@H]1NCc1nc(C)c(C)[nH]1 ZINC000568269485 326338045 /nfs/dbraw/zinc/33/80/45/326338045.db2.gz MQBDMGALIIZLPV-KGLIPLIRSA-N 0 3 249.402 3.475 20 0 BGADHN CCCC[C@H]1CCC[C@H]1NCc1nc(C)c(C)[nH]1 ZINC000568269486 326338078 /nfs/dbraw/zinc/33/80/78/326338078.db2.gz MQBDMGALIIZLPV-UONOGXRCSA-N 0 3 249.402 3.475 20 0 BGADHN CCCC[C@@H]1CCC[C@H]1NCc1nc(C)c(C)[nH]1 ZINC000568269487 326338110 /nfs/dbraw/zinc/33/81/10/326338110.db2.gz MQBDMGALIIZLPV-ZIAGYGMSSA-N 0 3 249.402 3.475 20 0 BGADHN Cc1nc(CN[C@@H]2CC[C@@H]3CCC[C@@H]3C2)[nH]c1C ZINC000568273138 326339364 /nfs/dbraw/zinc/33/93/64/326339364.db2.gz KXFYFBDJYUNEKF-BFHYXJOUSA-N 0 3 247.386 3.085 20 0 BGADHN Cc1nc(CN[C@@H]2CC[C@H]3CCC[C@H]3C2)[nH]c1C ZINC000568273139 326339414 /nfs/dbraw/zinc/33/94/14/326339414.db2.gz KXFYFBDJYUNEKF-HZSPNIEDSA-N 0 3 247.386 3.085 20 0 BGADHN Cc1nc(CN[C@@H]2CC[C@@H]3CCC[C@H]3C2)[nH]c1C ZINC000568273140 326339249 /nfs/dbraw/zinc/33/92/49/326339249.db2.gz KXFYFBDJYUNEKF-MELADBBJSA-N 0 3 247.386 3.085 20 0 BGADHN Cc1nc(CN[C@@H]2CC[C@H]3CCC[C@@H]3C2)[nH]c1C ZINC000568273141 326339154 /nfs/dbraw/zinc/33/91/54/326339154.db2.gz KXFYFBDJYUNEKF-MGPQQGTHSA-N 0 3 247.386 3.085 20 0 BGADHN Cc1nc(CNCC[C@H]2CCCC[C@H]2C)[nH]c1C ZINC000568273306 326339308 /nfs/dbraw/zinc/33/93/08/326339308.db2.gz QOJLTYOBYIIUQZ-BXUZGUMPSA-N 0 3 249.402 3.333 20 0 BGADHN Cc1nc(CNCC[C@@H]2CCCC[C@@H]2C)[nH]c1C ZINC000568273307 326339179 /nfs/dbraw/zinc/33/91/79/326339179.db2.gz QOJLTYOBYIIUQZ-FZMZJTMJSA-N 0 3 249.402 3.333 20 0 BGADHN Cc1nc(CNCC[C@@H]2CCCC[C@H]2C)[nH]c1C ZINC000568273308 326339385 /nfs/dbraw/zinc/33/93/85/326339385.db2.gz QOJLTYOBYIIUQZ-RISCZKNCSA-N 0 3 249.402 3.333 20 0 BGADHN Cc1nc(CNCC[C@H]2CCCC[C@@H]2C)[nH]c1C ZINC000568273309 326339448 /nfs/dbraw/zinc/33/94/48/326339448.db2.gz QOJLTYOBYIIUQZ-SMDDNHRTSA-N 0 3 249.402 3.333 20 0 BGADHN Cc1nc(CNCC2(C3CCC3)CCC2)[nH]c1C ZINC000568273683 326339397 /nfs/dbraw/zinc/33/93/97/326339397.db2.gz XHDBLRHQHZHZTJ-UHFFFAOYSA-N 0 3 247.386 3.087 20 0 BGADHN CC1(C)CC(NCc2cc3cccnc3o2)C1 ZINC000568275342 326339659 /nfs/dbraw/zinc/33/96/59/326339659.db2.gz OGVDVPVMVPJUBA-UHFFFAOYSA-N 0 3 230.311 3.106 20 0 BGADHN CC(C)Oc1ccccc1CN[C@H]1[C@@H]2CCC[C@@H]21 ZINC000568275358 326339607 /nfs/dbraw/zinc/33/96/07/326339607.db2.gz ONSCGZWEPAQUIY-FOLVSLTJSA-N 0 3 245.366 3.362 20 0 BGADHN CC(C)Oc1ccccc1CN[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000568275361 326339791 /nfs/dbraw/zinc/33/97/91/326339791.db2.gz ONSCGZWEPAQUIY-MIFYACCESA-N 0 3 245.366 3.362 20 0 BGADHN CC1(C)CC(NCc2ccnn2C2CCCC2)C1 ZINC000568275639 322933037 /nfs/dbraw/zinc/93/30/37/322933037.db2.gz UFPOMBMJALNEBT-UHFFFAOYSA-N 0 3 247.386 3.276 20 0 BGADHN Cc1ccoc1CN[C@@H]1CCCC12CC2 ZINC000568276619 326340036 /nfs/dbraw/zinc/34/00/36/326340036.db2.gz NQECJWQWDGYQON-GFCCVEGCSA-N 0 3 205.301 3.010 20 0 BGADHN Cc1ccoc1CN[C@H]1CCCC12CC2 ZINC000568276620 326339974 /nfs/dbraw/zinc/33/99/74/326339974.db2.gz NQECJWQWDGYQON-LBPRGKRZSA-N 0 3 205.301 3.010 20 0 BGADHN COc1ccc(F)cc1CN[C@H]1CCCC12CC2 ZINC000568296931 326343070 /nfs/dbraw/zinc/34/30/70/326343070.db2.gz ZEXPNWILZAUVRJ-AWEZNQCLSA-N 0 3 249.329 3.257 20 0 BGADHN COc1ccc(F)cc1CN[C@@H]1CCCC12CC2 ZINC000568296932 326342963 /nfs/dbraw/zinc/34/29/63/326342963.db2.gz ZEXPNWILZAUVRJ-CQSZACIVSA-N 0 3 249.329 3.257 20 0 BGADHN Cc1sccc1CN1C[C@@H](C)S[C@@H](C)C1 ZINC000568305716 326343708 /nfs/dbraw/zinc/34/37/08/326343708.db2.gz YRFNDEVEFOXAFP-AOOOYVTPSA-N 0 3 241.425 3.382 20 0 BGADHN Cc1sccc1CN1C[C@@H](C)S[C@H](C)C1 ZINC000568305717 326343625 /nfs/dbraw/zinc/34/36/25/326343625.db2.gz YRFNDEVEFOXAFP-NXEZZACHSA-N 0 3 241.425 3.382 20 0 BGADHN Cc1sccc1CN1C[C@H](C)S[C@@H](C)C1 ZINC000568305718 326343698 /nfs/dbraw/zinc/34/36/98/326343698.db2.gz YRFNDEVEFOXAFP-UWVGGRQHSA-N 0 3 241.425 3.382 20 0 BGADHN Cc1ccc2c(c1)[C@@H](NCC1(F)CC1)CCC2 ZINC000568319019 326344570 /nfs/dbraw/zinc/34/45/70/326344570.db2.gz MAPOLDNLFIOYIO-AWEZNQCLSA-N 0 3 233.330 3.464 20 0 BGADHN CCc1cc(CNC2CCC3(CC3)CC2)on1 ZINC000568344833 326346727 /nfs/dbraw/zinc/34/67/27/326346727.db2.gz GKHXGDGZVZRWCZ-UHFFFAOYSA-N 0 3 234.343 3.049 20 0 BGADHN CC(C)(C)C1CN(Cc2ccc3c(n2)CCC3)C1 ZINC000568363424 326349675 /nfs/dbraw/zinc/34/96/75/326349675.db2.gz RPBRQYHPZVSUQU-UHFFFAOYSA-N 0 3 244.382 3.048 20 0 BGADHN Cc1cc(OCCOCC2CCC2)c(C)c(C)n1 ZINC000568413726 326355901 /nfs/dbraw/zinc/35/59/01/326355901.db2.gz OOFFRVIGIRIUDA-UHFFFAOYSA-N 0 3 249.354 3.202 20 0 BGADHN C[C@@H]1C[C@H]1CN1CC[C@@](F)(c2ccccc2)C1 ZINC000568420073 326356831 /nfs/dbraw/zinc/35/68/31/326356831.db2.gz UYOANQXSSYONHG-IPYPFGDCSA-N 0 3 233.330 3.213 20 0 BGADHN C[C@@H]1C[C@@H]1CN1CC[C@@](F)(c2ccccc2)C1 ZINC000568420074 326356795 /nfs/dbraw/zinc/35/67/95/326356795.db2.gz UYOANQXSSYONHG-NFAWXSAZSA-N 0 3 233.330 3.213 20 0 BGADHN C[C@@H]1C[C@@H]1CN1CC[C@](F)(c2ccccc2)C1 ZINC000568420075 326356656 /nfs/dbraw/zinc/35/66/56/326356656.db2.gz UYOANQXSSYONHG-UMVBOHGHSA-N 0 3 233.330 3.213 20 0 BGADHN C[C@@H]1C[C@H]1CN1CC[C@](F)(c2ccccc2)C1 ZINC000568420076 326356629 /nfs/dbraw/zinc/35/66/29/326356629.db2.gz UYOANQXSSYONHG-VNHYZAJKSA-N 0 3 233.330 3.213 20 0 BGADHN CCCCN1CCC(CC(F)(F)F)CC1 ZINC000568421986 326356740 /nfs/dbraw/zinc/35/67/40/326356740.db2.gz PZLQMMQEYDWGMH-UHFFFAOYSA-N 0 3 223.282 3.451 20 0 BGADHN C[C@H](N[C@H]1CCC[C@@H](F)C1)c1nccs1 ZINC000568509909 326361403 /nfs/dbraw/zinc/36/14/03/326361403.db2.gz HCWRGFGXYKXJFT-AEJSXWLSSA-N 0 3 228.336 3.074 20 0 BGADHN C[C@H](N[C@H]1CCC[C@H](F)C1)c1nccs1 ZINC000568509910 326361289 /nfs/dbraw/zinc/36/12/89/326361289.db2.gz HCWRGFGXYKXJFT-GUBZILKMSA-N 0 3 228.336 3.074 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@@H](F)C1)c1nccs1 ZINC000568509911 326361465 /nfs/dbraw/zinc/36/14/65/326361465.db2.gz HCWRGFGXYKXJFT-IVZWLZJFSA-N 0 3 228.336 3.074 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@H](F)C1)c1nccs1 ZINC000568509912 326361411 /nfs/dbraw/zinc/36/14/11/326361411.db2.gz HCWRGFGXYKXJFT-LPEHRKFASA-N 0 3 228.336 3.074 20 0 BGADHN Cc1nn(C(C)C)cc1CN(C)C(C)(C)C ZINC000568512722 326361674 /nfs/dbraw/zinc/36/16/74/326361674.db2.gz FUIQREGZMIZYKZ-UHFFFAOYSA-N 0 3 223.364 3.003 20 0 BGADHN CC[C@]1(C(C)C)C[C@@H]1N[C@@H](C)c1cncnc1C ZINC000568532402 388355929 /nfs/dbraw/zinc/35/59/29/388355929.db2.gz GSSRWVPQBCLECX-AEGPPILISA-N 0 3 247.386 3.260 20 0 BGADHN CC[C@]1(C(C)C)C[C@H]1N[C@H](C)c1cncnc1C ZINC000568532403 388356051 /nfs/dbraw/zinc/35/60/51/388356051.db2.gz GSSRWVPQBCLECX-BPLDGKMQSA-N 0 3 247.386 3.260 20 0 BGADHN CC[C@]1(C(C)C)C[C@H]1N[C@@H](C)c1cncnc1C ZINC000568532404 388355795 /nfs/dbraw/zinc/35/57/95/388355795.db2.gz GSSRWVPQBCLECX-NWANDNLSSA-N 0 3 247.386 3.260 20 0 BGADHN CC[C@]1(C(C)C)C[C@@H]1N[C@H](C)c1cncnc1C ZINC000568532405 388356472 /nfs/dbraw/zinc/35/64/72/388356472.db2.gz GSSRWVPQBCLECX-VHDGCEQUSA-N 0 3 247.386 3.260 20 0 BGADHN C[C@H](Cc1ccccc1F)NC1(CF)CCC1 ZINC000568632890 326369797 /nfs/dbraw/zinc/36/97/97/326369797.db2.gz PLGNLQBFQXIAFP-LLVKDONJSA-N 0 3 239.309 3.239 20 0 BGADHN C[C@@H](Cc1ccccc1F)NC1(CF)CCC1 ZINC000568632891 326369784 /nfs/dbraw/zinc/36/97/84/326369784.db2.gz PLGNLQBFQXIAFP-NSHDSACASA-N 0 3 239.309 3.239 20 0 BGADHN Cc1nc(CNCC2CCCCCC2)[nH]c1C ZINC000568654454 326371437 /nfs/dbraw/zinc/37/14/37/326371437.db2.gz QYMNLQYAEHMHSN-UHFFFAOYSA-N 0 3 235.375 3.087 20 0 BGADHN CCc1cc(CNC2CC(C(C)(C)C)C2)on1 ZINC000568727532 326373582 /nfs/dbraw/zinc/37/35/82/326373582.db2.gz MOVPFORNLPDPET-UHFFFAOYSA-N 0 3 236.359 3.151 20 0 BGADHN Cc1ccc2nccc(N[C@H]3CCC[C@H]3F)c2c1 ZINC000568773458 326377117 /nfs/dbraw/zinc/37/71/17/326377117.db2.gz XGQUYPCXJRLALD-DOMZBBRYSA-N 0 3 244.313 3.268 20 0 BGADHN CC1(CNCc2ccc3c(n2)CCC3)CCCC1 ZINC000568841224 326378755 /nfs/dbraw/zinc/37/87/55/326378755.db2.gz OOQGUQBYDQRCCC-UHFFFAOYSA-N 0 3 244.382 3.240 20 0 BGADHN Cc1cc(OCCCCF)c(C)c(C)n1 ZINC000568901091 385105990 /nfs/dbraw/zinc/10/59/90/385105990.db2.gz LWNFMMXRFDHJRS-UHFFFAOYSA-N 0 3 211.280 3.135 20 0 BGADHN CCCCC1CCC(NCc2cnccn2)CC1 ZINC000568958861 326383733 /nfs/dbraw/zinc/38/37/33/326383733.db2.gz WRBYQRQEKSQISG-UHFFFAOYSA-N 0 3 247.386 3.315 20 0 BGADHN CCCOc1ccc(CN2CCC2(C)C)cc1 ZINC000568968042 326383997 /nfs/dbraw/zinc/38/39/97/326383997.db2.gz LZSGQASAKCATDY-UHFFFAOYSA-N 0 3 233.355 3.460 20 0 BGADHN Cc1ccccc1CN1C[C@H](C)OC2(CCC2)C1 ZINC000568996768 326385486 /nfs/dbraw/zinc/38/54/86/326385486.db2.gz AWGZYANMAGVUQV-AWEZNQCLSA-N 0 3 245.366 3.138 20 0 BGADHN Cc1ccccc1CN1C[C@@H](C)OC2(CCC2)C1 ZINC000568996769 326385662 /nfs/dbraw/zinc/38/56/62/326385662.db2.gz AWGZYANMAGVUQV-CQSZACIVSA-N 0 3 245.366 3.138 20 0 BGADHN Cc1nsc(C)c1CN1CCC(C)(C)CC1 ZINC000568997024 326385616 /nfs/dbraw/zinc/38/56/16/326385616.db2.gz PPMBKBCZCJABAT-UHFFFAOYSA-N 0 3 238.400 3.382 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@@H](F)C1)c1ccccn1 ZINC000569003219 326386496 /nfs/dbraw/zinc/38/64/96/326386496.db2.gz JXHHMWFOQONCLT-QJPTWQEYSA-N 0 3 222.307 3.013 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@H](F)C1)c1ccccn1 ZINC000569003220 326386326 /nfs/dbraw/zinc/38/63/26/326386326.db2.gz JXHHMWFOQONCLT-SDDRHHMPSA-N 0 3 222.307 3.013 20 0 BGADHN C[C@H](N[C@H]1CCC[C@H](F)C1)c1ccccn1 ZINC000569003221 326386363 /nfs/dbraw/zinc/38/63/63/326386363.db2.gz JXHHMWFOQONCLT-SRVKXCTJSA-N 0 3 222.307 3.013 20 0 BGADHN C[C@H](N[C@H]1CCC[C@@H](F)C1)c1ccccn1 ZINC000569003222 326386384 /nfs/dbraw/zinc/38/63/84/326386384.db2.gz JXHHMWFOQONCLT-TUAOUCFPSA-N 0 3 222.307 3.013 20 0 BGADHN CCc1ccccc1CN(C)C[C@@H]1CCCCO1 ZINC000569067025 326388527 /nfs/dbraw/zinc/38/85/27/326388527.db2.gz GWGWZENXOFDZNJ-INIZCTEOSA-N 0 3 247.382 3.250 20 0 BGADHN CCc1ccccc1CN(C)C[C@H]1CCCCO1 ZINC000569067026 326388543 /nfs/dbraw/zinc/38/85/43/326388543.db2.gz GWGWZENXOFDZNJ-MRXNPFEDSA-N 0 3 247.382 3.250 20 0 BGADHN CCC[C@H](NCc1cc(CC)no1)C1CCC1 ZINC000569077442 326388839 /nfs/dbraw/zinc/38/88/39/326388839.db2.gz SWNHMPSAUQEOET-AWEZNQCLSA-N 0 3 236.359 3.295 20 0 BGADHN CCC[C@@H](NCc1cc(CC)no1)C1CCC1 ZINC000569077443 326388821 /nfs/dbraw/zinc/38/88/21/326388821.db2.gz SWNHMPSAUQEOET-CQSZACIVSA-N 0 3 236.359 3.295 20 0 BGADHN C[C@H](NCc1noc2ccccc21)C1(C)CC1 ZINC000569116701 326391181 /nfs/dbraw/zinc/39/11/81/326391181.db2.gz JXZPILKBPZAGKQ-JTQLQIEISA-N 0 3 230.311 3.106 20 0 BGADHN C[C@@H](NCc1noc2ccccc21)C1(C)CC1 ZINC000569116704 326391151 /nfs/dbraw/zinc/39/11/51/326391151.db2.gz JXZPILKBPZAGKQ-SNVBAGLBSA-N 0 3 230.311 3.106 20 0 BGADHN Fc1ccccc1CN[C@@H]1CCCC12CC2 ZINC000569121210 326391731 /nfs/dbraw/zinc/39/17/31/326391731.db2.gz HBZPAUNFNNTRFL-CYBMUJFWSA-N 0 3 219.303 3.248 20 0 BGADHN Fc1ccccc1CN[C@H]1CCCC12CC2 ZINC000569121211 326391886 /nfs/dbraw/zinc/39/18/86/326391886.db2.gz HBZPAUNFNNTRFL-ZDUSSCGKSA-N 0 3 219.303 3.248 20 0 BGADHN CCc1cccc(CNCc2cccc(O)c2)c1 ZINC000569127231 326392048 /nfs/dbraw/zinc/39/20/48/326392048.db2.gz CCOHQBXLHGFFPD-UHFFFAOYSA-N 0 3 241.334 3.244 20 0 BGADHN CC[C@H]1CCCC[C@@H]1N(C)Cc1c(C)cnn1C ZINC000569172665 326393366 /nfs/dbraw/zinc/39/33/66/326393366.db2.gz NTAMHABWSKQAKI-KBPBESRZSA-N 0 3 249.402 3.129 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1N(C)Cc1c(C)cnn1C ZINC000569172673 326393523 /nfs/dbraw/zinc/39/35/23/326393523.db2.gz NTAMHABWSKQAKI-KGLIPLIRSA-N 0 3 249.402 3.129 20 0 BGADHN CC[C@H]1CCCC[C@H]1N(C)Cc1c(C)cnn1C ZINC000569172674 326393442 /nfs/dbraw/zinc/39/34/42/326393442.db2.gz NTAMHABWSKQAKI-UONOGXRCSA-N 0 3 249.402 3.129 20 0 BGADHN CC[C@@H]1CCCC[C@H]1N(C)Cc1c(C)cnn1C ZINC000569172676 326393539 /nfs/dbraw/zinc/39/35/39/326393539.db2.gz NTAMHABWSKQAKI-ZIAGYGMSSA-N 0 3 249.402 3.129 20 0 BGADHN CCn1ccc(CNC[C@@H]2CCCC(C)(C)C2)n1 ZINC000569210384 326395194 /nfs/dbraw/zinc/39/51/94/326395194.db2.gz FMWBFWVHXSFJMU-CYBMUJFWSA-N 0 3 249.402 3.209 20 0 BGADHN CCn1ccc(CNC[C@H]2CCCC(C)(C)C2)n1 ZINC000569210385 326395152 /nfs/dbraw/zinc/39/51/52/326395152.db2.gz FMWBFWVHXSFJMU-ZDUSSCGKSA-N 0 3 249.402 3.209 20 0 BGADHN CCc1cccc(CNCc2scnc2C)c1 ZINC000569227994 326396106 /nfs/dbraw/zinc/39/61/06/326396106.db2.gz XZVQCLZWKPNVCD-UHFFFAOYSA-N 0 3 246.379 3.304 20 0 BGADHN CCCCN(CCCC)Cc1snnc1C ZINC000569248072 326397932 /nfs/dbraw/zinc/39/79/32/326397932.db2.gz GIUXTBZRCYLBHK-UHFFFAOYSA-N 0 3 241.404 3.249 20 0 BGADHN CCC[C@H]1CCCC[C@@H]1NCc1nc(C)c(C)[nH]1 ZINC000569260733 326398524 /nfs/dbraw/zinc/39/85/24/326398524.db2.gz VCUUUDQXZAXALQ-KBPBESRZSA-N 0 3 249.402 3.475 20 0 BGADHN CCC[C@@H]1CCCC[C@@H]1NCc1nc(C)c(C)[nH]1 ZINC000569260734 326398444 /nfs/dbraw/zinc/39/84/44/326398444.db2.gz VCUUUDQXZAXALQ-KGLIPLIRSA-N 0 3 249.402 3.475 20 0 BGADHN CCC[C@H]1CCCC[C@H]1NCc1nc(C)c(C)[nH]1 ZINC000569260735 385325707 /nfs/dbraw/zinc/32/57/07/385325707.db2.gz VCUUUDQXZAXALQ-UONOGXRCSA-N 0 3 249.402 3.475 20 0 BGADHN CCC[C@@H]1CCCC[C@H]1NCc1nc(C)c(C)[nH]1 ZINC000569260736 322946331 /nfs/dbraw/zinc/94/63/31/322946331.db2.gz VCUUUDQXZAXALQ-ZIAGYGMSSA-N 0 3 249.402 3.475 20 0 BGADHN CCc1cccc(CN2CCC2(C)C)c1 ZINC000569300240 326399339 /nfs/dbraw/zinc/39/93/39/326399339.db2.gz FXGKITLEYAPOIH-UHFFFAOYSA-N 0 3 203.329 3.233 20 0 BGADHN CC[C@@H]1CCCN(Cc2ccc3c(n2)CCC3)C1 ZINC000569324727 388359792 /nfs/dbraw/zinc/35/97/92/388359792.db2.gz ANTPFQIPKJCBLL-CYBMUJFWSA-N 0 3 244.382 3.192 20 0 BGADHN CC[C@H]1CCCN(Cc2ccc3c(n2)CCC3)C1 ZINC000569324728 388359878 /nfs/dbraw/zinc/35/98/78/388359878.db2.gz ANTPFQIPKJCBLL-ZDUSSCGKSA-N 0 3 244.382 3.192 20 0 BGADHN CCc1cc(CN[C@H](CC)[C@H]2CC2(C)C)on1 ZINC000569329424 384355250 /nfs/dbraw/zinc/35/52/50/384355250.db2.gz XCOWHSIUYXOBOY-CHWSQXEVSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1cc(CN[C@@H](CC)[C@H]2CC2(C)C)on1 ZINC000569329425 384354020 /nfs/dbraw/zinc/35/40/20/384354020.db2.gz XCOWHSIUYXOBOY-OLZOCXBDSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1cc(CN[C@H](CC)[C@@H]2CC2(C)C)on1 ZINC000569329426 322910868 /nfs/dbraw/zinc/91/08/68/322910868.db2.gz XCOWHSIUYXOBOY-QWHCGFSZSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1cc(CN[C@@H](CC)[C@@H]2CC2(C)C)on1 ZINC000569329427 322910973 /nfs/dbraw/zinc/91/09/73/322910973.db2.gz XCOWHSIUYXOBOY-STQMWFEESA-N 0 3 236.359 3.151 20 0 BGADHN Cc1occc1CNCCCc1cccs1 ZINC000569329454 384353890 /nfs/dbraw/zinc/35/38/90/384353890.db2.gz ZSCMWBFHXQNNKJ-UHFFFAOYSA-N 0 3 235.352 3.372 20 0 BGADHN CC[C@@H](F)CN[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000569336686 322943278 /nfs/dbraw/zinc/94/32/78/322943278.db2.gz JDGOGPGNNLQVCX-KXUCPTDWSA-N 0 3 241.272 3.445 20 0 BGADHN C[C@H](N[C@H]1CCC[C@H](F)C1)c1cncc(F)c1 ZINC000569339343 322950878 /nfs/dbraw/zinc/95/08/78/322950878.db2.gz DCRIBDQIUAZRGF-GAFUQQFSSA-N 0 3 240.297 3.152 20 0 BGADHN C[C@H](N[C@H]1CCC[C@@H](F)C1)c1cncc(F)c1 ZINC000569339344 384032416 /nfs/dbraw/zinc/03/24/16/384032416.db2.gz DCRIBDQIUAZRGF-NDMJEZRESA-N 0 3 240.297 3.152 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@@H](F)C1)c1cncc(F)c1 ZINC000569339345 384032438 /nfs/dbraw/zinc/03/24/38/384032438.db2.gz DCRIBDQIUAZRGF-UFGOTCBOSA-N 0 3 240.297 3.152 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@H](F)C1)c1cncc(F)c1 ZINC000569339346 384033191 /nfs/dbraw/zinc/03/31/91/384033191.db2.gz DCRIBDQIUAZRGF-XHVZSJERSA-N 0 3 240.297 3.152 20 0 BGADHN c1cc(CN[C@H]2CC[C@H](c3ccccc3)C2)on1 ZINC000569341182 398105978 /nfs/dbraw/zinc/10/59/78/398105978.db2.gz IEVCGLCUQNQRNG-KBPBESRZSA-N 0 3 242.322 3.101 20 0 BGADHN c1cc(CN[C@H]2CC[C@@H](c3ccccc3)C2)on1 ZINC000569341183 398105887 /nfs/dbraw/zinc/10/58/87/398105887.db2.gz IEVCGLCUQNQRNG-KGLIPLIRSA-N 0 3 242.322 3.101 20 0 BGADHN c1cc(CN[C@@H]2CC[C@H](c3ccccc3)C2)on1 ZINC000569341184 398105515 /nfs/dbraw/zinc/10/55/15/398105515.db2.gz IEVCGLCUQNQRNG-UONOGXRCSA-N 0 3 242.322 3.101 20 0 BGADHN c1cc(CN[C@@H]2CC[C@@H](c3ccccc3)C2)on1 ZINC000569341185 398105975 /nfs/dbraw/zinc/10/59/75/398105975.db2.gz IEVCGLCUQNQRNG-ZIAGYGMSSA-N 0 3 242.322 3.101 20 0 BGADHN COC[C@@H]1CCN1Cc1ccc(C(C)(C)C)cc1 ZINC000569361232 383898807 /nfs/dbraw/zinc/89/88/07/383898807.db2.gz QNRYSZSRBAEZLQ-HNNXBMFYSA-N 0 3 247.382 3.205 20 0 BGADHN COC[C@H]1CCN1Cc1ccc(C(C)(C)C)cc1 ZINC000569361233 383898736 /nfs/dbraw/zinc/89/87/36/383898736.db2.gz QNRYSZSRBAEZLQ-OAHLLOKOSA-N 0 3 247.382 3.205 20 0 BGADHN CC[C@@H](C)[C@@H](C)NCc1cc(C(C)(C)C)on1 ZINC000569394672 383986786 /nfs/dbraw/zinc/98/67/86/383986786.db2.gz ISNVOZOLPZKGHG-GHMZBOCLSA-N 0 3 238.375 3.496 20 0 BGADHN CC[C@@H](C)[C@H](C)NCc1cc(C(C)(C)C)on1 ZINC000569394673 383988005 /nfs/dbraw/zinc/98/80/05/383988005.db2.gz ISNVOZOLPZKGHG-MNOVXSKESA-N 0 3 238.375 3.496 20 0 BGADHN CC[C@H](C)[C@H](C)NCc1cc(C(C)(C)C)on1 ZINC000569394674 322965249 /nfs/dbraw/zinc/96/52/49/322965249.db2.gz ISNVOZOLPZKGHG-QWRGUYRKSA-N 0 3 238.375 3.496 20 0 BGADHN CC[C@H](C)[C@@H](C)NCc1cc(C(C)(C)C)on1 ZINC000569394675 383986155 /nfs/dbraw/zinc/98/61/55/383986155.db2.gz ISNVOZOLPZKGHG-WDEREUQCSA-N 0 3 238.375 3.496 20 0 BGADHN CC(C)C[C@@H](CO)N(C)C/C=C\c1ccccc1 ZINC000569410877 384000371 /nfs/dbraw/zinc/00/03/71/384000371.db2.gz MPMLOBRPIXDJSZ-BJIFSAINSA-N 0 3 247.382 3.039 20 0 BGADHN CC(C)C[C@H](CO)N(C)C/C=C\c1ccccc1 ZINC000569410878 383999701 /nfs/dbraw/zinc/99/97/01/383999701.db2.gz MPMLOBRPIXDJSZ-BSDKJSHOSA-N 0 3 247.382 3.039 20 0 BGADHN CC(C)C[C@@H](CO)N(C)C/C=C/c1ccccc1 ZINC000569410879 384001013 /nfs/dbraw/zinc/00/10/13/384001013.db2.gz MPMLOBRPIXDJSZ-JCVNQNCUSA-N 0 3 247.382 3.039 20 0 BGADHN CC(C)C[C@H](CO)N(C)C/C=C/c1ccccc1 ZINC000569410880 383999876 /nfs/dbraw/zinc/99/98/76/383999876.db2.gz MPMLOBRPIXDJSZ-OJXHRBAXSA-N 0 3 247.382 3.039 20 0 BGADHN CN(C[C@H]1CCC2(CCCC2)O1)[C@@H]1CC1(C)C ZINC000569437589 384024708 /nfs/dbraw/zinc/02/47/08/384024708.db2.gz NYHSUXWCYDUFNK-CHWSQXEVSA-N 0 3 237.387 3.209 20 0 BGADHN CN(C[C@H]1CCC2(CCCC2)O1)[C@H]1CC1(C)C ZINC000569437591 384024508 /nfs/dbraw/zinc/02/45/08/384024508.db2.gz NYHSUXWCYDUFNK-OLZOCXBDSA-N 0 3 237.387 3.209 20 0 BGADHN CN(C[C@@H]1CCC2(CCCC2)O1)[C@@H]1CC1(C)C ZINC000569437593 384024796 /nfs/dbraw/zinc/02/47/96/384024796.db2.gz NYHSUXWCYDUFNK-QWHCGFSZSA-N 0 3 237.387 3.209 20 0 BGADHN CN(C[C@@H]1CCC2(CCCC2)O1)[C@H]1CC1(C)C ZINC000569437595 384024300 /nfs/dbraw/zinc/02/43/00/384024300.db2.gz NYHSUXWCYDUFNK-STQMWFEESA-N 0 3 237.387 3.209 20 0 BGADHN CC1=C(C)CN(Cc2ccc3[nH]cnc3c2)CC1 ZINC000569524090 384171787 /nfs/dbraw/zinc/17/17/87/384171787.db2.gz MPUYGZNPGUEFTQ-UHFFFAOYSA-N 0 3 241.338 3.105 20 0 BGADHN Oc1ccc2c(c1)[C@@H](N[C@@H]1CCC[C@@H]1F)CCC2 ZINC000569560314 384232471 /nfs/dbraw/zinc/23/24/71/384232471.db2.gz GEGLTLWKNNRQKL-SOUVJXGZSA-N 0 3 249.329 3.250 20 0 BGADHN C[C@H](N[C@H]1CCC[C@@H](F)C1)c1ccncc1F ZINC000569603850 322972529 /nfs/dbraw/zinc/97/25/29/322972529.db2.gz FAFOUSOMDYHVFO-AXFHLTTASA-N 0 3 240.297 3.152 20 0 BGADHN C[C@H](N[C@H]1CCC[C@H](F)C1)c1ccncc1F ZINC000569603851 384527662 /nfs/dbraw/zinc/52/76/62/384527662.db2.gz FAFOUSOMDYHVFO-DCAQKATOSA-N 0 3 240.297 3.152 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@H](F)C1)c1ccncc1F ZINC000569603852 322972527 /nfs/dbraw/zinc/97/25/27/322972527.db2.gz FAFOUSOMDYHVFO-GARJFASQSA-N 0 3 240.297 3.152 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@@H](F)C1)c1ccncc1F ZINC000569603853 322972434 /nfs/dbraw/zinc/97/24/34/322972434.db2.gz FAFOUSOMDYHVFO-HBNTYKKESA-N 0 3 240.297 3.152 20 0 BGADHN Cc1ccc(CN2CC(C3CCC3)C2)cc1F ZINC000569649912 323035490 /nfs/dbraw/zinc/03/54/90/323035490.db2.gz RYCGGLWCOYKTHV-UHFFFAOYSA-N 0 3 233.330 3.366 20 0 BGADHN CC(C)=CCCNCc1ccc2c(n1)CCC2 ZINC000569684730 323036906 /nfs/dbraw/zinc/03/69/06/323036906.db2.gz HBZYQOZRZMYJJO-UHFFFAOYSA-N 0 3 230.355 3.016 20 0 BGADHN CCC(CC)CNCc1noc2ccccc12 ZINC000569708611 323038023 /nfs/dbraw/zinc/03/80/23/323038023.db2.gz PKMJTQCZZGWCPY-UHFFFAOYSA-N 0 3 232.327 3.354 20 0 BGADHN CCc1cccc(CNCc2ccnc(C)c2)c1 ZINC000569726138 323039087 /nfs/dbraw/zinc/03/90/87/323039087.db2.gz DJODGBXFXOOHGU-UHFFFAOYSA-N 0 3 240.350 3.242 20 0 BGADHN CCCN(Cc1ccnn1C(C)C)C(C)C ZINC000569740373 323039290 /nfs/dbraw/zinc/03/92/90/323039290.db2.gz ZPFIUHPUDODNJF-UHFFFAOYSA-N 0 3 223.364 3.084 20 0 BGADHN CC(C)C[C@@H](C)CNCc1ccn(C(C)C)n1 ZINC000569798729 323040977 /nfs/dbraw/zinc/04/09/77/323040977.db2.gz UNNFAABKSSMTNR-CYBMUJFWSA-N 0 3 237.391 3.236 20 0 BGADHN CC(C)C[C@H](C)CNCc1ccn(C(C)C)n1 ZINC000569798730 323040928 /nfs/dbraw/zinc/04/09/28/323040928.db2.gz UNNFAABKSSMTNR-ZDUSSCGKSA-N 0 3 237.391 3.236 20 0 BGADHN CC(C)C1CCC(CNCc2cnccn2)CC1 ZINC000569807380 323040990 /nfs/dbraw/zinc/04/09/90/323040990.db2.gz ZRUOZKMUCYJJJH-UHFFFAOYSA-N 0 3 247.386 3.029 20 0 BGADHN CC(C)O[C@H](CN1C[C@@H](C)[C@H]1C)c1ccccc1 ZINC000569815932 323041411 /nfs/dbraw/zinc/04/14/11/323041411.db2.gz HPBDAYPTYQMBGD-IIAWOOMASA-N 0 3 247.382 3.493 20 0 BGADHN CC(C)O[C@H](CN1C[C@@H](C)[C@@H]1C)c1ccccc1 ZINC000569815933 323041447 /nfs/dbraw/zinc/04/14/47/323041447.db2.gz HPBDAYPTYQMBGD-IJEWVQPXSA-N 0 3 247.382 3.493 20 0 BGADHN CC(C)O[C@H](CN1C[C@H](C)[C@@H]1C)c1ccccc1 ZINC000569815934 323041512 /nfs/dbraw/zinc/04/15/12/323041512.db2.gz HPBDAYPTYQMBGD-OFQRWUPVSA-N 0 3 247.382 3.493 20 0 BGADHN CC(C)O[C@H](CN1C[C@H](C)[C@H]1C)c1ccccc1 ZINC000569815935 323041454 /nfs/dbraw/zinc/04/14/54/323041454.db2.gz HPBDAYPTYQMBGD-SQWLQELKSA-N 0 3 247.382 3.493 20 0 BGADHN c1ccc2c(CNC3CC4(CCC4)C3)noc2c1 ZINC000569823951 323041517 /nfs/dbraw/zinc/04/15/17/323041517.db2.gz CZMSXUZXQFKNMV-UHFFFAOYSA-N 0 3 242.322 3.250 20 0 BGADHN COc1ccc(F)cc1CN1C[C@H](C)C[C@H]1C ZINC000569830795 323041928 /nfs/dbraw/zinc/04/19/28/323041928.db2.gz WMUMQDCAGLXTLA-GHMZBOCLSA-N 0 3 237.318 3.065 20 0 BGADHN COc1ccc(F)cc1CN1C[C@H](C)C[C@@H]1C ZINC000569830796 323041952 /nfs/dbraw/zinc/04/19/52/323041952.db2.gz WMUMQDCAGLXTLA-MNOVXSKESA-N 0 3 237.318 3.065 20 0 BGADHN COc1ccc(F)cc1CN1C[C@@H](C)C[C@@H]1C ZINC000569830797 323041993 /nfs/dbraw/zinc/04/19/93/323041993.db2.gz WMUMQDCAGLXTLA-QWRGUYRKSA-N 0 3 237.318 3.065 20 0 BGADHN COc1ccc(F)cc1CN1C[C@@H](C)C[C@H]1C ZINC000569830798 323042069 /nfs/dbraw/zinc/04/20/69/323042069.db2.gz WMUMQDCAGLXTLA-WDEREUQCSA-N 0 3 237.318 3.065 20 0 BGADHN CO[C@H]1C[C@@H](N(C)Cc2ccc3occc3c2)C1 ZINC000569855585 323042779 /nfs/dbraw/zinc/04/27/79/323042779.db2.gz AHKMFLLIGFPASQ-OKILXGFUSA-N 0 3 245.322 3.042 20 0 BGADHN C[C@@H](NCCCF)c1nccc2ccccc21 ZINC000569892968 323043684 /nfs/dbraw/zinc/04/36/84/323043684.db2.gz XIUOVSFSXZCRME-LLVKDONJSA-N 0 3 232.302 3.245 20 0 BGADHN C[C@H](NCCCF)c1nccc2ccccc21 ZINC000569892973 323043732 /nfs/dbraw/zinc/04/37/32/323043732.db2.gz XIUOVSFSXZCRME-NSHDSACASA-N 0 3 232.302 3.245 20 0 BGADHN CC(C)N(Cc1cncn1C(C)C)CC1CC1 ZINC000569922004 323044520 /nfs/dbraw/zinc/04/45/20/323044520.db2.gz DGUISQXGRYNDBG-UHFFFAOYSA-N 0 3 235.375 3.084 20 0 BGADHN Cc1ccc(C)c(CNCCOCC2CCC2)c1 ZINC000569982271 323046466 /nfs/dbraw/zinc/04/64/66/323046466.db2.gz HPUWFNKCOVGMAM-UHFFFAOYSA-N 0 3 247.382 3.210 20 0 BGADHN Cc1nc(CN[C@H](C)C2CCCCC2)[nH]c1C ZINC000569988784 323046663 /nfs/dbraw/zinc/04/66/63/323046663.db2.gz QGMZVHVXHFYJIP-GFCCVEGCSA-N 0 3 235.375 3.085 20 0 BGADHN Cc1nc(CN[C@@H](C)C2CCCCC2)[nH]c1C ZINC000569988786 323046670 /nfs/dbraw/zinc/04/66/70/323046670.db2.gz QGMZVHVXHFYJIP-LBPRGKRZSA-N 0 3 235.375 3.085 20 0 BGADHN CCn1nc(C)c(CNC2CC(C(C)C)C2)c1C ZINC000569991957 323046531 /nfs/dbraw/zinc/04/65/31/323046531.db2.gz SNODOTPHONGQOC-UHFFFAOYSA-N 0 3 249.402 3.044 20 0 BGADHN CC[C@@H](NCC1(C)CCCCC1)c1ccn(C)n1 ZINC000570010323 323047395 /nfs/dbraw/zinc/04/73/95/323047395.db2.gz UUBVHRYLTXXYCZ-CYBMUJFWSA-N 0 3 249.402 3.431 20 0 BGADHN CC[C@H](NCC1(C)CCCCC1)c1ccn(C)n1 ZINC000570010324 323047387 /nfs/dbraw/zinc/04/73/87/323047387.db2.gz UUBVHRYLTXXYCZ-ZDUSSCGKSA-N 0 3 249.402 3.431 20 0 BGADHN CCc1nc(CN[C@@H]2CCC[C@@H](F)C2)cs1 ZINC000570042570 323048295 /nfs/dbraw/zinc/04/82/95/323048295.db2.gz BVXDPNOAZUMNKR-NXEZZACHSA-N 0 3 242.363 3.076 20 0 BGADHN CCc1nc(CN[C@H]2CCC[C@H](F)C2)cs1 ZINC000570042571 323048311 /nfs/dbraw/zinc/04/83/11/323048311.db2.gz BVXDPNOAZUMNKR-UWVGGRQHSA-N 0 3 242.363 3.076 20 0 BGADHN CCc1nc(CN[C@@H]2CCC[C@H](F)C2)cs1 ZINC000570042573 323048304 /nfs/dbraw/zinc/04/83/04/323048304.db2.gz BVXDPNOAZUMNKR-VHSXEESVSA-N 0 3 242.363 3.076 20 0 BGADHN CCc1nc(CN[C@H]2CCC[C@@H](F)C2)cs1 ZINC000570042574 323048224 /nfs/dbraw/zinc/04/82/24/323048224.db2.gz BVXDPNOAZUMNKR-ZJUUUORDSA-N 0 3 242.363 3.076 20 0 BGADHN C[C@@H]1CCN(Cc2ccc3c(n2)CCC3)C[C@H]1C ZINC000570053525 323048628 /nfs/dbraw/zinc/04/86/28/323048628.db2.gz IEQJZPXPVCZMSX-CHWSQXEVSA-N 0 3 244.382 3.048 20 0 BGADHN C[C@@H]1CCN(Cc2ccc3c(n2)CCC3)C[C@@H]1C ZINC000570053526 323048509 /nfs/dbraw/zinc/04/85/09/323048509.db2.gz IEQJZPXPVCZMSX-OLZOCXBDSA-N 0 3 244.382 3.048 20 0 BGADHN C[C@H]1CCN(Cc2ccc3c(n2)CCC3)C[C@H]1C ZINC000570053527 323048605 /nfs/dbraw/zinc/04/86/05/323048605.db2.gz IEQJZPXPVCZMSX-QWHCGFSZSA-N 0 3 244.382 3.048 20 0 BGADHN C[C@H]1CN(Cc2ccc3c(n2)CCC3)CC[C@@H]1C ZINC000570053528 323048578 /nfs/dbraw/zinc/04/85/78/323048578.db2.gz IEQJZPXPVCZMSX-STQMWFEESA-N 0 3 244.382 3.048 20 0 BGADHN CCCN(Cc1cnc2ccc(C)cn12)C(C)C ZINC000570107050 323050197 /nfs/dbraw/zinc/05/01/97/323050197.db2.gz SGGUUXLHGMJYTA-UHFFFAOYSA-N 0 3 245.370 3.263 20 0 BGADHN CCc1cccnc1[C@@H](C)NC1CC(C)(C)C1 ZINC000570108444 323050316 /nfs/dbraw/zinc/05/03/16/323050316.db2.gz XJPJZZSZEDTFOH-LLVKDONJSA-N 0 3 232.371 3.483 20 0 BGADHN CCc1cccnc1[C@H](C)NC1CC(C)(C)C1 ZINC000570108445 323050282 /nfs/dbraw/zinc/05/02/82/323050282.db2.gz XJPJZZSZEDTFOH-NSHDSACASA-N 0 3 232.371 3.483 20 0 BGADHN CCCOc1ccc(CN2CC[C@H]2C2CC2)cc1 ZINC000570157089 323051267 /nfs/dbraw/zinc/05/12/67/323051267.db2.gz DSIFKOOSAZTGDY-INIZCTEOSA-N 0 3 245.366 3.460 20 0 BGADHN CCCOc1ccc(CN2CC[C@@H]2C2CC2)cc1 ZINC000570157094 323051147 /nfs/dbraw/zinc/05/11/47/323051147.db2.gz DSIFKOOSAZTGDY-MRXNPFEDSA-N 0 3 245.366 3.460 20 0 BGADHN CC(C)C1CC(NCc2noc3ccccc32)C1 ZINC000570174614 323052104 /nfs/dbraw/zinc/05/21/04/323052104.db2.gz CBXYUQDNEARDTO-UHFFFAOYSA-N 0 3 244.338 3.352 20 0 BGADHN c1ccc2c(CN[C@@H]3CCC[C@H]4C[C@H]43)noc2c1 ZINC000570225147 323053189 /nfs/dbraw/zinc/05/31/89/323053189.db2.gz LIUPYDUSCQFKJU-CYZMBNFOSA-N 0 3 242.322 3.106 20 0 BGADHN c1ccc2c(CN[C@H]3CCC[C@H]4C[C@H]43)noc2c1 ZINC000570225148 323053053 /nfs/dbraw/zinc/05/30/53/323053053.db2.gz LIUPYDUSCQFKJU-UHTWSYAYSA-N 0 3 242.322 3.106 20 0 BGADHN CCN(Cc1c(C)nsc1C)CC(C)C ZINC000570289910 323055366 /nfs/dbraw/zinc/05/53/66/323055366.db2.gz XMURDRRTMUDBJF-UHFFFAOYSA-N 0 3 226.389 3.238 20 0 BGADHN c1cc(CNCCC2CCCC2)nc2c1CCC2 ZINC000570295771 323055306 /nfs/dbraw/zinc/05/53/06/323055306.db2.gz OLOZZLCYZNFLSU-UHFFFAOYSA-N 0 3 244.382 3.240 20 0 BGADHN Cc1ccc(CNCC(C)(C)C(F)(F)F)cn1 ZINC000570295969 323055259 /nfs/dbraw/zinc/05/52/59/323055259.db2.gz ULHAHKCONFQKAL-UHFFFAOYSA-N 0 3 246.276 3.068 20 0 BGADHN Cc1cc(C)nc(N[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000570362314 323057459 /nfs/dbraw/zinc/05/74/59/323057459.db2.gz KVIYCATVSIROLW-CLLJXQQHSA-N 0 3 234.343 3.066 20 0 BGADHN Cc1cc(C)nc(N[C@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000570362317 323057487 /nfs/dbraw/zinc/05/74/87/323057487.db2.gz KVIYCATVSIROLW-ITGUQSILSA-N 0 3 234.343 3.066 20 0 BGADHN CCOC1CC(N(C)Cc2ccc(C)s2)C1 ZINC000570367874 323057316 /nfs/dbraw/zinc/05/73/16/323057316.db2.gz KVBKUERZCDMUDZ-UHFFFAOYSA-N 0 3 239.384 3.056 20 0 BGADHN CCc1nc(C)c(CN(CC2CC2)C(C)C)o1 ZINC000570383320 323057879 /nfs/dbraw/zinc/05/78/79/323057879.db2.gz RDFVLTYHPGZXOH-UHFFFAOYSA-N 0 3 236.359 3.166 20 0 BGADHN CCC(CC)N(Cc1cncc(F)c1)C1CC1 ZINC000570433196 323059192 /nfs/dbraw/zinc/05/91/92/323059192.db2.gz BKUGKSATALJRFL-UHFFFAOYSA-N 0 3 236.334 3.374 20 0 BGADHN CCCc1cccc(CN[C@H]2C[C@@H]2C(F)F)c1 ZINC000570434003 323059424 /nfs/dbraw/zinc/05/94/24/323059424.db2.gz RWUNXZNPAUSMRP-STQMWFEESA-N 0 3 239.309 3.382 20 0 BGADHN C[C@H]1CCC[C@H]1NCc1cc(C(C)(C)C)on1 ZINC000570438083 323059408 /nfs/dbraw/zinc/05/94/08/323059408.db2.gz OOPBESHHQCUSCE-CMPLNLGQSA-N 0 3 236.359 3.250 20 0 BGADHN C[C@H]1CCC[C@@H]1NCc1cc(C(C)(C)C)on1 ZINC000570438084 323059363 /nfs/dbraw/zinc/05/93/63/323059363.db2.gz OOPBESHHQCUSCE-JQWIXIFHSA-N 0 3 236.359 3.250 20 0 BGADHN C[C@@H]1CCC[C@@H]1NCc1cc(C(C)(C)C)on1 ZINC000570438085 323059336 /nfs/dbraw/zinc/05/93/36/323059336.db2.gz OOPBESHHQCUSCE-PWSUYJOCSA-N 0 3 236.359 3.250 20 0 BGADHN C[C@@H]1CCC[C@H]1NCc1cc(C(C)(C)C)on1 ZINC000570438086 323059300 /nfs/dbraw/zinc/05/93/00/323059300.db2.gz OOPBESHHQCUSCE-ZYHUDNBSSA-N 0 3 236.359 3.250 20 0 BGADHN CN(Cc1cc(F)c(F)c(F)c1)CC1(C)CC1 ZINC000570459554 397748795 /nfs/dbraw/zinc/74/87/95/397748795.db2.gz BEXJTIPTEWMEQA-UHFFFAOYSA-N 0 3 243.272 3.336 20 0 BGADHN Cc1ccc(CNCCOCC2CCC2)cc1C ZINC000570495760 323061078 /nfs/dbraw/zinc/06/10/78/323061078.db2.gz MEWIDYWVSJIBDA-UHFFFAOYSA-N 0 3 247.382 3.210 20 0 BGADHN CCC(C)(C)[C@@H](C)NCc1ccn(C(C)C)n1 ZINC000570524769 323062105 /nfs/dbraw/zinc/06/21/05/323062105.db2.gz IAOSFNYILYDXFQ-GFCCVEGCSA-N 0 3 237.391 3.378 20 0 BGADHN CCC(C)(C)[C@H](C)NCc1ccn(C(C)C)n1 ZINC000570524770 323062001 /nfs/dbraw/zinc/06/20/01/323062001.db2.gz IAOSFNYILYDXFQ-LBPRGKRZSA-N 0 3 237.391 3.378 20 0 BGADHN FC1(CN2CCC(c3ccccc3)CC2)CC1 ZINC000570563906 323063184 /nfs/dbraw/zinc/06/31/84/323063184.db2.gz GJUAMGNDGFVIRK-UHFFFAOYSA-N 0 3 233.330 3.368 20 0 BGADHN CC(C)(CF)NCc1ccc2[nH]ccc2c1 ZINC000570580749 323063825 /nfs/dbraw/zinc/06/38/25/323063825.db2.gz CWPMQZNCISJZPM-UHFFFAOYSA-N 0 3 220.291 3.006 20 0 BGADHN COC[C@@H](C)CN1CC2(CCC2)[C@H]1c1ccco1 ZINC000570593534 323064243 /nfs/dbraw/zinc/06/42/43/323064243.db2.gz TXMJATMFDAGPDB-GXTWGEPZSA-N 0 3 249.354 3.089 20 0 BGADHN COC[C@@H](C)CN1CC2(CCC2)[C@@H]1c1ccco1 ZINC000570593535 323064301 /nfs/dbraw/zinc/06/43/01/323064301.db2.gz TXMJATMFDAGPDB-JSGCOSHPSA-N 0 3 249.354 3.089 20 0 BGADHN COC[C@H](C)CN1CC2(CCC2)[C@@H]1c1ccco1 ZINC000570593536 323064360 /nfs/dbraw/zinc/06/43/60/323064360.db2.gz TXMJATMFDAGPDB-OCCSQVGLSA-N 0 3 249.354 3.089 20 0 BGADHN COC[C@H](C)CN1CC2(CCC2)[C@H]1c1ccco1 ZINC000570593537 323064246 /nfs/dbraw/zinc/06/42/46/323064246.db2.gz TXMJATMFDAGPDB-TZMCWYRMSA-N 0 3 249.354 3.089 20 0 BGADHN CC(C)C1(CNCc2ccc3c(n2)CCC3)CC1 ZINC000570610284 346357571 /nfs/dbraw/zinc/35/75/71/346357571.db2.gz NTIDUFOGYIYNAJ-UHFFFAOYSA-N 0 3 244.382 3.096 20 0 BGADHN C[C@H](CN1CC(C)C1)c1cccc(Cl)c1 ZINC000570644940 323065820 /nfs/dbraw/zinc/06/58/20/323065820.db2.gz DGSXYJOADDOFPL-LLVKDONJSA-N 0 3 223.747 3.395 20 0 BGADHN C[C@@H](CN1CC(C)C1)c1cccc(Cl)c1 ZINC000570644978 323065901 /nfs/dbraw/zinc/06/59/01/323065901.db2.gz DGSXYJOADDOFPL-NSHDSACASA-N 0 3 223.747 3.395 20 0 BGADHN CCC1CCC(CNCc2nc(C)c(C)[nH]2)CC1 ZINC000570651850 323066124 /nfs/dbraw/zinc/06/61/24/323066124.db2.gz TZDGPGKHNNVJJI-UHFFFAOYSA-N 0 3 249.402 3.333 20 0 BGADHN CCC1CC(NCc2noc3ccccc32)C1 ZINC000570652812 323065955 /nfs/dbraw/zinc/06/59/55/323065955.db2.gz UZVYWAWSRFVLSV-UHFFFAOYSA-N 0 3 230.311 3.106 20 0 BGADHN Cc1ncsc1COc1cc(C)nc(C)c1C ZINC000570653736 323066021 /nfs/dbraw/zinc/06/60/21/323066021.db2.gz XUHYONSZKMZGOO-UHFFFAOYSA-N 0 3 248.351 3.351 20 0 BGADHN CCCc1ncc(CN[C@@H](C(C)C)C2CC2)o1 ZINC000570654983 323065978 /nfs/dbraw/zinc/06/59/78/323065978.db2.gz UKCIYDWNLMBQRS-AWEZNQCLSA-N 0 3 236.359 3.151 20 0 BGADHN CCCc1ncc(CN[C@H](C(C)C)C2CC2)o1 ZINC000570654984 323065949 /nfs/dbraw/zinc/06/59/49/323065949.db2.gz UKCIYDWNLMBQRS-CQSZACIVSA-N 0 3 236.359 3.151 20 0 BGADHN CCCc1nc(C)c(CN[C@@H]2CCCC23CC3)o1 ZINC000570698103 323067673 /nfs/dbraw/zinc/06/76/73/323067673.db2.gz DTASDUDIFNRGBH-CYBMUJFWSA-N 0 3 248.370 3.358 20 0 BGADHN CCCc1nc(C)c(CN[C@H]2CCCC23CC3)o1 ZINC000570698105 323067757 /nfs/dbraw/zinc/06/77/57/323067757.db2.gz DTASDUDIFNRGBH-ZDUSSCGKSA-N 0 3 248.370 3.358 20 0 BGADHN CC1(CN2CC[C@@](F)(c3ccccc3)C2)CC1 ZINC000570701859 323067883 /nfs/dbraw/zinc/06/78/83/323067883.db2.gz VXIZWPQCEFUAPB-HNNXBMFYSA-N 0 3 233.330 3.357 20 0 BGADHN CC1(CN2CC[C@](F)(c3ccccc3)C2)CC1 ZINC000570701860 323067960 /nfs/dbraw/zinc/06/79/60/323067960.db2.gz VXIZWPQCEFUAPB-OAHLLOKOSA-N 0 3 233.330 3.357 20 0 BGADHN Cc1ccc(CNCC[C@H](C)F)c(Cl)c1 ZINC000570728335 323068816 /nfs/dbraw/zinc/06/88/16/323068816.db2.gz LHUKOMADAMLBON-JTQLQIEISA-N 0 3 229.726 3.486 20 0 BGADHN Cc1ccc(CNCC[C@@H](C)F)c(Cl)c1 ZINC000570728336 323068760 /nfs/dbraw/zinc/06/87/60/323068760.db2.gz LHUKOMADAMLBON-SNVBAGLBSA-N 0 3 229.726 3.486 20 0 BGADHN C[C@@H]1COCCN1CCC1CCCCCC1 ZINC000570728534 323068740 /nfs/dbraw/zinc/06/87/40/323068740.db2.gz UCAFJHPFIONRAC-CYBMUJFWSA-N 0 3 225.376 3.068 20 0 BGADHN CCCN(CC(=O)Nc1ccc(C)cc1)C(C)C ZINC000570736287 323068956 /nfs/dbraw/zinc/06/89/56/323068956.db2.gz BNHLXJPLFJOUOS-UHFFFAOYSA-N 0 3 248.370 3.054 20 0 BGADHN Cc1cc(OCCC2CCOCC2)c(C)c(C)n1 ZINC000570739277 323069136 /nfs/dbraw/zinc/06/91/36/323069136.db2.gz NLMUQYYDSJDNDQ-UHFFFAOYSA-N 0 3 249.354 3.202 20 0 BGADHN CCc1ccc(CN(CC)C[C@@H](C)OC)s1 ZINC000570769092 323069720 /nfs/dbraw/zinc/06/97/20/323069720.db2.gz HMKKCFAEKRXDOW-LLVKDONJSA-N 0 3 241.400 3.167 20 0 BGADHN CCc1ccc(CN(CC)C[C@H](C)OC)s1 ZINC000570769093 323069715 /nfs/dbraw/zinc/06/97/15/323069715.db2.gz HMKKCFAEKRXDOW-NSHDSACASA-N 0 3 241.400 3.167 20 0 BGADHN C[C@@H](NCc1nc2ccccc2[nH]1)C(C)(C)C ZINC000570805920 323071045 /nfs/dbraw/zinc/07/10/45/323071045.db2.gz RHXALECNUYSUKE-SNVBAGLBSA-N 0 3 231.343 3.087 20 0 BGADHN CC(C)C1(N[C@H](C)c2cn3ccccc3n2)CC1 ZINC000570816165 323071546 /nfs/dbraw/zinc/07/15/46/323071546.db2.gz LSYHPXQJQGLNRQ-GFCCVEGCSA-N 0 3 243.354 3.174 20 0 BGADHN CC(C)C1(N[C@@H](C)c2cn3ccccc3n2)CC1 ZINC000570816166 323071643 /nfs/dbraw/zinc/07/16/43/323071643.db2.gz LSYHPXQJQGLNRQ-LBPRGKRZSA-N 0 3 243.354 3.174 20 0 BGADHN C[C@@H]1CN(C[C@H]2CCC3(CCCCC3)O2)[C@H]1C ZINC000570829466 323071756 /nfs/dbraw/zinc/07/17/56/323071756.db2.gz KKPSAQKMHSBRQD-HZSPNIEDSA-N 0 3 237.387 3.209 20 0 BGADHN C[C@@H]1CN(C[C@@H]2CCC3(CCCCC3)O2)[C@@H]1C ZINC000570829468 323071817 /nfs/dbraw/zinc/07/18/17/323071817.db2.gz KKPSAQKMHSBRQD-MCIONIFRSA-N 0 3 237.387 3.209 20 0 BGADHN C[C@@H]1CN(C[C@H]2CCC3(CCCCC3)O2)[C@@H]1C ZINC000570829470 323071725 /nfs/dbraw/zinc/07/17/25/323071725.db2.gz KKPSAQKMHSBRQD-MGPQQGTHSA-N 0 3 237.387 3.209 20 0 BGADHN C[C@@H]1CN(C[C@@H]2CCC3(CCCCC3)O2)[C@H]1C ZINC000570829472 323071745 /nfs/dbraw/zinc/07/17/45/323071745.db2.gz KKPSAQKMHSBRQD-RDBSUJKOSA-N 0 3 237.387 3.209 20 0 BGADHN CC(C)C1CCC(N(C)Cc2cc[nH]n2)CC1 ZINC000570832966 323072013 /nfs/dbraw/zinc/07/20/13/323072013.db2.gz FYJJTEMFBPQSRA-UHFFFAOYSA-N 0 3 235.375 3.056 20 0 BGADHN CCc1ccc(CN[C@@H]2CCC[C@@H](F)C2)o1 ZINC000570841368 323072375 /nfs/dbraw/zinc/07/23/75/323072375.db2.gz FPXFCVIAUQMRKO-GHMZBOCLSA-N 0 3 225.307 3.212 20 0 BGADHN CCc1ccc(CN[C@H]2CCC[C@@H](F)C2)o1 ZINC000570841372 323072380 /nfs/dbraw/zinc/07/23/80/323072380.db2.gz FPXFCVIAUQMRKO-MNOVXSKESA-N 0 3 225.307 3.212 20 0 BGADHN CCc1ccc(CN[C@H]2CCC[C@H](F)C2)o1 ZINC000570841374 323072358 /nfs/dbraw/zinc/07/23/58/323072358.db2.gz FPXFCVIAUQMRKO-QWRGUYRKSA-N 0 3 225.307 3.212 20 0 BGADHN CCc1ccc(CN[C@@H]2CCC[C@H](F)C2)o1 ZINC000570841376 323072298 /nfs/dbraw/zinc/07/22/98/323072298.db2.gz FPXFCVIAUQMRKO-WDEREUQCSA-N 0 3 225.307 3.212 20 0 BGADHN CCc1cnc(CN[C@@H]2CCCC23CC3)s1 ZINC000570868691 323073255 /nfs/dbraw/zinc/07/32/55/323073255.db2.gz SWUJZJYJHLEGMU-LLVKDONJSA-N 0 3 236.384 3.128 20 0 BGADHN CCc1cnc(CN[C@H]2CCCC23CC3)s1 ZINC000570868692 323073168 /nfs/dbraw/zinc/07/31/68/323073168.db2.gz SWUJZJYJHLEGMU-NSHDSACASA-N 0 3 236.384 3.128 20 0 BGADHN c1cnc(CN(CC2CCCCC2)C2CC2)cn1 ZINC000570905484 323073742 /nfs/dbraw/zinc/07/37/42/323073742.db2.gz PCVVQXNHCYBJGT-UHFFFAOYSA-N 0 3 245.370 3.021 20 0 BGADHN CCO[C@@H]1C[C@@H]1N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000570910888 323073857 /nfs/dbraw/zinc/07/38/57/323073857.db2.gz RFOWQKUTDBBMTR-BJKJVOPESA-N 0 3 245.366 3.392 20 0 BGADHN CCO[C@@H]1C[C@@H]1N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000570910889 323073911 /nfs/dbraw/zinc/07/39/11/323073911.db2.gz RFOWQKUTDBBMTR-BQDHKBFISA-N 0 3 245.366 3.392 20 0 BGADHN CCO[C@@H]1C[C@@H]1N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000570910890 323073898 /nfs/dbraw/zinc/07/38/98/323073898.db2.gz RFOWQKUTDBBMTR-IPOQPSJVSA-N 0 3 245.366 3.392 20 0 BGADHN CCO[C@@H]1C[C@@H]1N[C@H]1CC[C@H](C)c2ccccc21 ZINC000570910891 323073853 /nfs/dbraw/zinc/07/38/53/323073853.db2.gz RFOWQKUTDBBMTR-VCOSZWKGSA-N 0 3 245.366 3.392 20 0 BGADHN COCC1(CCN[C@H](C)c2ccc(C)o2)CC1 ZINC000570927184 323074449 /nfs/dbraw/zinc/07/44/49/323074449.db2.gz SQACUQSSKSCZHG-GFCCVEGCSA-N 0 3 237.343 3.055 20 0 BGADHN COCC1(CCN[C@@H](C)c2ccc(C)o2)CC1 ZINC000570927185 323074416 /nfs/dbraw/zinc/07/44/16/323074416.db2.gz SQACUQSSKSCZHG-LBPRGKRZSA-N 0 3 237.343 3.055 20 0 BGADHN Cc1nc(CNC[C@@H](C)C2CCCCC2)[nH]c1C ZINC000570943345 323076276 /nfs/dbraw/zinc/07/62/76/323076276.db2.gz SMZCLEPCSZCEQV-LLVKDONJSA-N 0 3 249.402 3.333 20 0 BGADHN Cc1nc(CNC[C@H](C)C2CCCCC2)[nH]c1C ZINC000570943350 323076296 /nfs/dbraw/zinc/07/62/96/323076296.db2.gz SMZCLEPCSZCEQV-NSHDSACASA-N 0 3 249.402 3.333 20 0 BGADHN CCO[C@@H]1C[C@H]1N[C@@H](CC1CC1)c1ccccc1 ZINC000571030911 323104100 /nfs/dbraw/zinc/10/41/00/323104100.db2.gz MLGOBYIKSHLEEO-ARFHVFGLSA-N 0 3 245.366 3.295 20 0 BGADHN CCO[C@@H]1C[C@H]1N[C@H](CC1CC1)c1ccccc1 ZINC000571030912 323104091 /nfs/dbraw/zinc/10/40/91/323104091.db2.gz MLGOBYIKSHLEEO-BZUAXINKSA-N 0 3 245.366 3.295 20 0 BGADHN CCO[C@@H]1C[C@@H]1N[C@@H](CC1CC1)c1ccccc1 ZINC000571030913 323104089 /nfs/dbraw/zinc/10/40/89/323104089.db2.gz MLGOBYIKSHLEEO-HRCADAONSA-N 0 3 245.366 3.295 20 0 BGADHN CCO[C@@H]1C[C@@H]1N[C@H](CC1CC1)c1ccccc1 ZINC000571030914 323104186 /nfs/dbraw/zinc/10/41/86/323104186.db2.gz MLGOBYIKSHLEEO-OWCLPIDISA-N 0 3 245.366 3.295 20 0 BGADHN COc1cccc([C@H]2C[C@H](NCC3(F)CC3)C2)c1 ZINC000571032153 323104126 /nfs/dbraw/zinc/10/41/26/323104126.db2.gz MYUCQEQTXQOXQU-JOCQHMNTSA-N 0 3 249.329 3.033 20 0 BGADHN Cc1cc([C@H](C)NC[C@@H]2CC3CCC2CC3)no1 ZINC000571045939 323105175 /nfs/dbraw/zinc/10/51/75/323105175.db2.gz PXHOBKPWPGADKQ-ABXWRUBCSA-N 0 3 248.370 3.460 20 0 BGADHN Cc1cc([C@@H](C)NC[C@H]2CC3CCC2CC3)no1 ZINC000571045940 323105264 /nfs/dbraw/zinc/10/52/64/323105264.db2.gz PXHOBKPWPGADKQ-BLYZHGLHSA-N 0 3 248.370 3.460 20 0 BGADHN Cc1cc([C@H](C)NC[C@H]2CC3CCC2CC3)no1 ZINC000571045941 323105269 /nfs/dbraw/zinc/10/52/69/323105269.db2.gz PXHOBKPWPGADKQ-GFJIZPEISA-N 0 3 248.370 3.460 20 0 BGADHN Cc1cc([C@@H](C)NC[C@@H]2CC3CCC2CC3)no1 ZINC000571045942 323105206 /nfs/dbraw/zinc/10/52/06/323105206.db2.gz PXHOBKPWPGADKQ-RYSNWHEDSA-N 0 3 248.370 3.460 20 0 BGADHN C[C@H](N[C@H]1CCC[C@H](F)C1)c1ccoc1 ZINC000571045998 323105169 /nfs/dbraw/zinc/10/51/69/323105169.db2.gz RXXGWHILXUEVHG-DLOVCJGASA-N 0 3 211.280 3.211 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@@H](F)C1)c1ccoc1 ZINC000571045999 323105271 /nfs/dbraw/zinc/10/52/71/323105271.db2.gz RXXGWHILXUEVHG-MVWJERBFSA-N 0 3 211.280 3.211 20 0 BGADHN C[C@H](N[C@H]1CCC[C@@H](F)C1)c1ccoc1 ZINC000571046000 323105258 /nfs/dbraw/zinc/10/52/58/323105258.db2.gz RXXGWHILXUEVHG-WCQGTBRESA-N 0 3 211.280 3.211 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@H](F)C1)c1ccoc1 ZINC000571046001 323105278 /nfs/dbraw/zinc/10/52/78/323105278.db2.gz RXXGWHILXUEVHG-ZMLRMANQSA-N 0 3 211.280 3.211 20 0 BGADHN CC[C@H]([NH2+]Cc1ncccc1[O-])c1ccccc1 ZINC000571053966 323105610 /nfs/dbraw/zinc/10/56/10/323105610.db2.gz SCBIZEWVBWOXGW-ZDUSSCGKSA-N 0 3 242.322 3.028 20 0 BGADHN C[C@@H](NCc1cc(-c2ccco2)on1)C(C)(C)C ZINC000571094538 323135212 /nfs/dbraw/zinc/13/52/12/323135212.db2.gz QXMUEDYHZKGKGK-SNVBAGLBSA-N 0 3 248.326 3.459 20 0 BGADHN CCCN(Cc1c(C)nn(CC)c1C)C(C)C ZINC000571105809 323135606 /nfs/dbraw/zinc/13/56/06/323135606.db2.gz QILHKHOKSHNRNX-UHFFFAOYSA-N 0 3 237.391 3.140 20 0 BGADHN Cc1cccc(CNC2(C3CC3)CC2)c1F ZINC000571135112 323136309 /nfs/dbraw/zinc/13/63/09/323136309.db2.gz HXRBGIAZOWREOT-UHFFFAOYSA-N 0 3 219.303 3.166 20 0 BGADHN CC1(C)CC[C@H]1NCc1nc2ccc(F)cc2o1 ZINC000571176471 350866419 /nfs/dbraw/zinc/86/64/19/350866419.db2.gz WQQATFVSJNOVGL-GFCCVEGCSA-N 0 3 248.301 3.245 20 0 BGADHN CC1(C)CC[C@@H]1NCc1nc2ccc(F)cc2o1 ZINC000571176506 350866663 /nfs/dbraw/zinc/86/66/63/350866663.db2.gz WQQATFVSJNOVGL-LBPRGKRZSA-N 0 3 248.301 3.245 20 0 BGADHN Cc1ccnc([C@@H](C)NC2CC(C)(C)C2)c1 ZINC000571179076 323137337 /nfs/dbraw/zinc/13/73/37/323137337.db2.gz GOYHTLYXABXCPA-LLVKDONJSA-N 0 3 218.344 3.229 20 0 BGADHN Cc1ccnc([C@H](C)NC2CC(C)(C)C2)c1 ZINC000571179081 323137320 /nfs/dbraw/zinc/13/73/20/323137320.db2.gz GOYHTLYXABXCPA-NSHDSACASA-N 0 3 218.344 3.229 20 0 BGADHN CC[C@H]1CC[C@H](NCc2nc(C)c(C)[nH]2)CC1 ZINC000571179247 323137389 /nfs/dbraw/zinc/13/73/89/323137389.db2.gz JTZXVVJKOSYSEK-JOCQHMNTSA-N 0 3 235.375 3.085 20 0 BGADHN CCC[C@@H](C)CNCc1noc2ccccc12 ZINC000571179360 323137600 /nfs/dbraw/zinc/13/76/00/323137600.db2.gz YZYRPMNSIAAPKO-LLVKDONJSA-N 0 3 232.327 3.354 20 0 BGADHN CCC[C@H](C)CNCc1noc2ccccc12 ZINC000571179361 323137696 /nfs/dbraw/zinc/13/76/96/323137696.db2.gz YZYRPMNSIAAPKO-NSHDSACASA-N 0 3 232.327 3.354 20 0 BGADHN CC1=CCN(C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000571181291 323137754 /nfs/dbraw/zinc/13/77/54/323137754.db2.gz DFUIPOOKOBSQRR-AWEZNQCLSA-N 0 3 235.371 3.130 20 0 BGADHN CC1=CCN(C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000571181292 323137732 /nfs/dbraw/zinc/13/77/32/323137732.db2.gz DFUIPOOKOBSQRR-CQSZACIVSA-N 0 3 235.371 3.130 20 0 BGADHN CN(Cc1cc(-c2ccccc2)n[nH]1)C(C)(C)C ZINC000571210733 323138495 /nfs/dbraw/zinc/13/84/95/323138495.db2.gz VBTKSKCSGWQFLN-UHFFFAOYSA-N 0 3 243.354 3.307 20 0 BGADHN CC[C@@H](N[C@@H](C)C1CCCCC1)c1ccn(C)n1 ZINC000571220741 323138327 /nfs/dbraw/zinc/13/83/27/323138327.db2.gz YRLGVMIXQRJNMA-GXTWGEPZSA-N 0 3 249.402 3.430 20 0 BGADHN CC[C@H](N[C@@H](C)C1CCCCC1)c1ccn(C)n1 ZINC000571220742 323138251 /nfs/dbraw/zinc/13/82/51/323138251.db2.gz YRLGVMIXQRJNMA-JSGCOSHPSA-N 0 3 249.402 3.430 20 0 BGADHN CC[C@H](N[C@H](C)C1CCCCC1)c1ccn(C)n1 ZINC000571220743 323138301 /nfs/dbraw/zinc/13/83/01/323138301.db2.gz YRLGVMIXQRJNMA-OCCSQVGLSA-N 0 3 249.402 3.430 20 0 BGADHN CC[C@@H](N[C@H](C)C1CCCCC1)c1ccn(C)n1 ZINC000571220744 323138336 /nfs/dbraw/zinc/13/83/36/323138336.db2.gz YRLGVMIXQRJNMA-TZMCWYRMSA-N 0 3 249.402 3.430 20 0 BGADHN CC(C)C[C@@H](C)N1CCO[C@@H](c2ccccc2)C1 ZINC000571231778 323138999 /nfs/dbraw/zinc/13/89/99/323138999.db2.gz CLGHMHUFYPJSBZ-GDBMZVCRSA-N 0 3 247.382 3.495 20 0 BGADHN CC(C)C[C@H](C)N1CCO[C@@H](c2ccccc2)C1 ZINC000571231779 323139059 /nfs/dbraw/zinc/13/90/59/323139059.db2.gz CLGHMHUFYPJSBZ-GOEBONIOSA-N 0 3 247.382 3.495 20 0 BGADHN CC(C)C[C@H](C)N1CCO[C@H](c2ccccc2)C1 ZINC000571231780 323138986 /nfs/dbraw/zinc/13/89/86/323138986.db2.gz CLGHMHUFYPJSBZ-HOCLYGCPSA-N 0 3 247.382 3.495 20 0 BGADHN CC(C)C[C@@H](C)N1CCO[C@H](c2ccccc2)C1 ZINC000571231781 323139010 /nfs/dbraw/zinc/13/90/10/323139010.db2.gz CLGHMHUFYPJSBZ-ZBFHGGJFSA-N 0 3 247.382 3.495 20 0 BGADHN CC1(C)CCN1Cc1ccc(OCC2CC2)cc1 ZINC000571281038 323139903 /nfs/dbraw/zinc/13/99/03/323139903.db2.gz XDIIGCJEUDVLAH-UHFFFAOYSA-N 0 3 245.366 3.460 20 0 BGADHN COCC1(NCc2cccc3ccccc32)CC1 ZINC000571312005 323141138 /nfs/dbraw/zinc/14/11/38/323141138.db2.gz WTBMWLKIDXESLH-UHFFFAOYSA-N 0 3 241.334 3.108 20 0 BGADHN c1cc(CN[C@H](C2CCC2)C2CCCCC2)n[nH]1 ZINC000571313309 323141038 /nfs/dbraw/zinc/14/10/38/323141038.db2.gz MXYGJAQQOZQUIS-HNNXBMFYSA-N 0 3 247.386 3.248 20 0 BGADHN c1cc(CN[C@@H](C2CCC2)C2CCCCC2)n[nH]1 ZINC000571313310 323141014 /nfs/dbraw/zinc/14/10/14/323141014.db2.gz MXYGJAQQOZQUIS-OAHLLOKOSA-N 0 3 247.386 3.248 20 0 BGADHN Cc1cccc(C)c1CNCCOCC1CCC1 ZINC000571373000 323142867 /nfs/dbraw/zinc/14/28/67/323142867.db2.gz HUOPHTZJBPEDHP-UHFFFAOYSA-N 0 3 247.382 3.210 20 0 BGADHN Cc1cc(CNCC(C(C)C)C(C)C)nc(C)n1 ZINC000571389501 323143415 /nfs/dbraw/zinc/14/34/15/323143415.db2.gz OBYITOUBJUVUKM-UHFFFAOYSA-N 0 3 249.402 3.111 20 0 BGADHN CC(C)CCN(CCC(C)C)Cc1cnccn1 ZINC000571404521 323143715 /nfs/dbraw/zinc/14/37/15/323143715.db2.gz FVOWSHXPROOONO-UHFFFAOYSA-N 0 3 249.402 3.371 20 0 BGADHN CCn1nc(CN(C)C(C)(C)C)c2ccccc21 ZINC000571405384 323143994 /nfs/dbraw/zinc/14/39/94/323143994.db2.gz VYKXELQNRRXFNX-UHFFFAOYSA-N 0 3 245.370 3.287 20 0 BGADHN c1ccc2c(CN[C@H]3CC[C@H]3C3CC3)noc2c1 ZINC000571461298 323145251 /nfs/dbraw/zinc/14/52/51/323145251.db2.gz HXZFGTXUJJGFTK-AAEUAGOBSA-N 0 3 242.322 3.106 20 0 BGADHN c1ccc2c(CN[C@@H]3CC[C@@H]3C3CC3)noc2c1 ZINC000571461304 323145331 /nfs/dbraw/zinc/14/53/31/323145331.db2.gz HXZFGTXUJJGFTK-DGCLKSJQSA-N 0 3 242.322 3.106 20 0 BGADHN c1ccc2c(CN[C@@H]3CC[C@H]3C3CC3)noc2c1 ZINC000571461306 323145310 /nfs/dbraw/zinc/14/53/10/323145310.db2.gz HXZFGTXUJJGFTK-WCQYABFASA-N 0 3 242.322 3.106 20 0 BGADHN c1ccc2c(CN[C@H]3CC[C@@H]3C3CC3)noc2c1 ZINC000571461308 323145349 /nfs/dbraw/zinc/14/53/49/323145349.db2.gz HXZFGTXUJJGFTK-YPMHNXCESA-N 0 3 242.322 3.106 20 0 BGADHN Fc1cc(Cl)cc(CN[C@@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000571464099 323145432 /nfs/dbraw/zinc/14/54/32/323145432.db2.gz OVRMWUUSYKBTJH-CLLJXQQHSA-N 0 3 239.721 3.367 20 0 BGADHN CCc1cnc(CN(CC2CC2)C(C)C)s1 ZINC000571481879 323145723 /nfs/dbraw/zinc/14/57/23/323145723.db2.gz QBZPHBWJVACJDG-UHFFFAOYSA-N 0 3 238.400 3.326 20 0 BGADHN CC1=C[C@H](C)C[C@H](CNCc2ncccc2F)C1 ZINC000571486195 323145863 /nfs/dbraw/zinc/14/58/63/323145863.db2.gz UMUJXEDJYPTHIC-AAEUAGOBSA-N 0 3 248.345 3.303 20 0 BGADHN CC1=C[C@@H](C)C[C@@H](CNCc2ncccc2F)C1 ZINC000571486196 323145937 /nfs/dbraw/zinc/14/59/37/323145937.db2.gz UMUJXEDJYPTHIC-DGCLKSJQSA-N 0 3 248.345 3.303 20 0 BGADHN CC1=C[C@H](C)C[C@@H](CNCc2ncccc2F)C1 ZINC000571486197 323145889 /nfs/dbraw/zinc/14/58/89/323145889.db2.gz UMUJXEDJYPTHIC-WCQYABFASA-N 0 3 248.345 3.303 20 0 BGADHN CC1=C[C@@H](C)C[C@H](CNCc2ncccc2F)C1 ZINC000571486198 323145806 /nfs/dbraw/zinc/14/58/06/323145806.db2.gz UMUJXEDJYPTHIC-YPMHNXCESA-N 0 3 248.345 3.303 20 0 BGADHN CCO[C@@H]1C[C@H]1N[C@@H](CC)c1cccc(F)c1 ZINC000571490903 351025683 /nfs/dbraw/zinc/02/56/83/351025683.db2.gz JDIDVMKMPVGBHO-BFHYXJOUSA-N 0 3 237.318 3.044 20 0 BGADHN CCO[C@@H]1C[C@@H]1N[C@H](CC)c1cccc(F)c1 ZINC000571490904 351025958 /nfs/dbraw/zinc/02/59/58/351025958.db2.gz JDIDVMKMPVGBHO-HZSPNIEDSA-N 0 3 237.318 3.044 20 0 BGADHN CCO[C@@H]1C[C@@H]1N[C@@H](CC)c1cccc(F)c1 ZINC000571490905 351026017 /nfs/dbraw/zinc/02/60/17/351026017.db2.gz JDIDVMKMPVGBHO-MELADBBJSA-N 0 3 237.318 3.044 20 0 BGADHN CCO[C@@H]1C[C@H]1N[C@H](CC)c1cccc(F)c1 ZINC000571490906 351026076 /nfs/dbraw/zinc/02/60/76/351026076.db2.gz JDIDVMKMPVGBHO-MGPQQGTHSA-N 0 3 237.318 3.044 20 0 BGADHN Cc1ccc(CN(C)Cc2ccncc2C)cc1 ZINC000571492365 323145955 /nfs/dbraw/zinc/14/59/55/323145955.db2.gz FOOUBNIVYMMTJZ-UHFFFAOYSA-N 0 3 240.350 3.330 20 0 BGADHN CCCc1ncc(CN[C@H]2CCC[C@@H]2CC)o1 ZINC000571495214 351025661 /nfs/dbraw/zinc/02/56/61/351025661.db2.gz QPEHKNMFYUMSJJ-AAEUAGOBSA-N 0 3 236.359 3.295 20 0 BGADHN CCCc1ncc(CN[C@@H]2CCC[C@H]2CC)o1 ZINC000571495215 351026009 /nfs/dbraw/zinc/02/60/09/351026009.db2.gz QPEHKNMFYUMSJJ-DGCLKSJQSA-N 0 3 236.359 3.295 20 0 BGADHN CCCc1ncc(CN[C@@H]2CCC[C@@H]2CC)o1 ZINC000571495216 351025671 /nfs/dbraw/zinc/02/56/71/351025671.db2.gz QPEHKNMFYUMSJJ-WCQYABFASA-N 0 3 236.359 3.295 20 0 BGADHN CCCc1ncc(CN[C@H]2CCC[C@H]2CC)o1 ZINC000571495217 351026003 /nfs/dbraw/zinc/02/60/03/351026003.db2.gz QPEHKNMFYUMSJJ-YPMHNXCESA-N 0 3 236.359 3.295 20 0 BGADHN CCO[C@H]1C[C@H]1NCc1ccc2ccccc2c1 ZINC000571505880 323146217 /nfs/dbraw/zinc/14/62/17/323146217.db2.gz ARNJTFZHDALEFZ-CVEARBPZSA-N 0 3 241.334 3.107 20 0 BGADHN CCO[C@H]1C[C@@H]1NCc1ccc2ccccc2c1 ZINC000571505888 323146198 /nfs/dbraw/zinc/14/61/98/323146198.db2.gz ARNJTFZHDALEFZ-HOTGVXAUSA-N 0 3 241.334 3.107 20 0 BGADHN CCO[C@@H]1C[C@H]1NCc1ccc2ccccc2c1 ZINC000571505890 323146184 /nfs/dbraw/zinc/14/61/84/323146184.db2.gz ARNJTFZHDALEFZ-HZPDHXFCSA-N 0 3 241.334 3.107 20 0 BGADHN CCO[C@@H]1C[C@@H]1NCc1ccc2ccccc2c1 ZINC000571505891 323146231 /nfs/dbraw/zinc/14/62/31/323146231.db2.gz ARNJTFZHDALEFZ-JKSUJKDBSA-N 0 3 241.334 3.107 20 0 BGADHN C[C@@H]1CC[C@H](C)[C@@H](NCc2ncccc2F)C1 ZINC000571509941 323146325 /nfs/dbraw/zinc/14/63/25/323146325.db2.gz POUVRVHZJLZJMM-MDZLAQPJSA-N 0 3 236.334 3.135 20 0 BGADHN C[C@@H]1CC[C@@H](C)[C@H](NCc2ncccc2F)C1 ZINC000571509942 323146328 /nfs/dbraw/zinc/14/63/28/323146328.db2.gz POUVRVHZJLZJMM-NQBHXWOUSA-N 0 3 236.334 3.135 20 0 BGADHN C[C@@H]1CC[C@H](C)[C@H](NCc2ncccc2F)C1 ZINC000571509943 323146348 /nfs/dbraw/zinc/14/63/48/323146348.db2.gz POUVRVHZJLZJMM-NTZNESFSSA-N 0 3 236.334 3.135 20 0 BGADHN C[C@@H]1CC[C@@H](C)[C@@H](NCc2ncccc2F)C1 ZINC000571509944 323146352 /nfs/dbraw/zinc/14/63/52/323146352.db2.gz POUVRVHZJLZJMM-WZRBSPASSA-N 0 3 236.334 3.135 20 0 BGADHN Cc1ccc(CNC2(CF)CCC2)s1 ZINC000571641045 323150538 /nfs/dbraw/zinc/15/05/38/323150538.db2.gz AAURLFQMIKPNEG-UHFFFAOYSA-N 0 3 213.321 3.038 20 0 BGADHN C[C@@H]1C[C@@H](C)N1CCOc1ccc(Cl)cc1 ZINC000571705828 387152182 /nfs/dbraw/zinc/15/21/82/387152182.db2.gz GRHSWEMEUAPKGZ-GHMZBOCLSA-N 0 3 239.746 3.202 20 0 BGADHN C[C@@H]1C[C@H](C)N1CCOc1ccc(Cl)cc1 ZINC000571705829 387151674 /nfs/dbraw/zinc/15/16/74/387151674.db2.gz GRHSWEMEUAPKGZ-PHIMTYICSA-N 0 3 239.746 3.202 20 0 BGADHN C[C@H]1C[C@H](C)N1CCOc1ccc(Cl)cc1 ZINC000571705830 387151248 /nfs/dbraw/zinc/15/12/48/387151248.db2.gz GRHSWEMEUAPKGZ-QWRGUYRKSA-N 0 3 239.746 3.202 20 0 BGADHN CC1(CN2CCO[C@H](C3CCCCC3)C2)CC1 ZINC000571737149 387159567 /nfs/dbraw/zinc/15/95/67/387159567.db2.gz LHBCNGCBYYEYQK-AWEZNQCLSA-N 0 3 237.387 3.068 20 0 BGADHN CC1(CN2CCO[C@@H](C3CCCCC3)C2)CC1 ZINC000571737150 387158877 /nfs/dbraw/zinc/15/88/77/387158877.db2.gz LHBCNGCBYYEYQK-CQSZACIVSA-N 0 3 237.387 3.068 20 0 BGADHN C[C@H](NC[C@@H]1C[C@H]1C1CCC1)c1cscn1 ZINC000571754609 323472712 /nfs/dbraw/zinc/47/27/12/323472712.db2.gz OBWHASBBTXBXCQ-DLOVCJGASA-N 0 3 236.384 3.230 20 0 BGADHN C[C@@H](NC[C@@H]1C[C@H]1C1CCC1)c1cscn1 ZINC000571754618 387161307 /nfs/dbraw/zinc/16/13/07/387161307.db2.gz OBWHASBBTXBXCQ-USWWRNFRSA-N 0 3 236.384 3.230 20 0 BGADHN CCn1ccnc1CN[C@@H]1CCC[C@H]1C(C)(C)C ZINC000571769554 387166058 /nfs/dbraw/zinc/16/60/58/387166058.db2.gz NIPNTTVDJGDIIO-CHWSQXEVSA-N 0 3 249.402 3.207 20 0 BGADHN CCn1ccnc1CN[C@H]1CCC[C@H]1C(C)(C)C ZINC000571769555 387165771 /nfs/dbraw/zinc/16/57/71/387165771.db2.gz NIPNTTVDJGDIIO-OLZOCXBDSA-N 0 3 249.402 3.207 20 0 BGADHN CCn1ccnc1CN[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000571769556 323476178 /nfs/dbraw/zinc/47/61/78/323476178.db2.gz NIPNTTVDJGDIIO-QWHCGFSZSA-N 0 3 249.402 3.207 20 0 BGADHN CCn1ccnc1CN[C@H]1CCC[C@@H]1C(C)(C)C ZINC000571769557 387165757 /nfs/dbraw/zinc/16/57/57/387165757.db2.gz NIPNTTVDJGDIIO-STQMWFEESA-N 0 3 249.402 3.207 20 0 BGADHN CCc1cccc(F)c1CN[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000571778508 387169051 /nfs/dbraw/zinc/16/90/51/387169051.db2.gz LQHLPOXCZOSCRL-JJLQDPRZSA-N 0 3 233.330 3.276 20 0 BGADHN CCc1cccc(F)c1CN[C@H]1[C@@H]2CCC[C@@H]21 ZINC000571778509 323479988 /nfs/dbraw/zinc/47/99/88/323479988.db2.gz LQHLPOXCZOSCRL-JYAVWHMHSA-N 0 3 233.330 3.276 20 0 BGADHN C[C@@H]1c2c(F)cccc2CCN1CCCCF ZINC000571784950 387170659 /nfs/dbraw/zinc/17/06/59/387170659.db2.gz OKRHWHUYQGTTTA-LLVKDONJSA-N 0 3 239.309 3.495 20 0 BGADHN C[C@H]1c2c(F)cccc2CCN1CCCCF ZINC000571784951 387170577 /nfs/dbraw/zinc/17/05/77/387170577.db2.gz OKRHWHUYQGTTTA-NSHDSACASA-N 0 3 239.309 3.495 20 0 BGADHN COc1ccccc1CN1CC(C)(C)[C@@H]1C1CC1 ZINC000571815301 387175990 /nfs/dbraw/zinc/17/59/90/387175990.db2.gz DAZSXMRDDCWJRS-HNNXBMFYSA-N 0 3 245.366 3.316 20 0 BGADHN COc1ccccc1CN1CC(C)(C)[C@H]1C1CC1 ZINC000571815302 387176184 /nfs/dbraw/zinc/17/61/84/387176184.db2.gz DAZSXMRDDCWJRS-OAHLLOKOSA-N 0 3 245.366 3.316 20 0 BGADHN CCc1cnc(CN(CC)C(CC)CC)o1 ZINC000571836820 387180318 /nfs/dbraw/zinc/18/03/18/387180318.db2.gz NVVFUBQYTJGFII-UHFFFAOYSA-N 0 3 224.348 3.248 20 0 BGADHN COc1cc(CN2CC[C@H]2C(C)C)ccc1C ZINC000571849416 387183818 /nfs/dbraw/zinc/18/38/18/387183818.db2.gz QRRICMIGLOCHAW-AWEZNQCLSA-N 0 3 233.355 3.234 20 0 BGADHN COc1cc(CN2CC[C@@H]2C(C)C)ccc1C ZINC000571849417 387184736 /nfs/dbraw/zinc/18/47/36/387184736.db2.gz QRRICMIGLOCHAW-CQSZACIVSA-N 0 3 233.355 3.234 20 0 BGADHN CC1=CCCN(Cc2ccnc3ccccc23)C1 ZINC000571871532 387181854 /nfs/dbraw/zinc/18/18/54/387181854.db2.gz XWYSYWJCNRAEBF-UHFFFAOYSA-N 0 3 238.334 3.387 20 0 BGADHN CN(Cc1cnccn1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000571897303 387195384 /nfs/dbraw/zinc/19/53/84/387195384.db2.gz VDILUHBQKTXGCI-KBPBESRZSA-N 0 3 247.386 3.123 20 0 BGADHN CN(Cc1cnccn1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000571897306 387195774 /nfs/dbraw/zinc/19/57/74/387195774.db2.gz VDILUHBQKTXGCI-KGLIPLIRSA-N 0 3 247.386 3.123 20 0 BGADHN CN(Cc1cnccn1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000571897307 387195607 /nfs/dbraw/zinc/19/56/07/387195607.db2.gz VDILUHBQKTXGCI-UONOGXRCSA-N 0 3 247.386 3.123 20 0 BGADHN CN(Cc1cnccn1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000571897308 387196061 /nfs/dbraw/zinc/19/60/61/387196061.db2.gz VDILUHBQKTXGCI-ZIAGYGMSSA-N 0 3 247.386 3.123 20 0 BGADHN CC(C)c1ncc(CN(C)C(C)(C)C)s1 ZINC000571923560 387198500 /nfs/dbraw/zinc/19/85/00/387198500.db2.gz SKFNRWIMUHEMIP-UHFFFAOYSA-N 0 3 226.389 3.497 20 0 BGADHN CCn1ccnc1CNC[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000571946414 387210612 /nfs/dbraw/zinc/21/06/12/387210612.db2.gz PGQRMFVZLUSGCE-IHRRRGAJSA-N 0 3 249.402 3.065 20 0 BGADHN CCn1ccnc1CNC[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000571946419 387208733 /nfs/dbraw/zinc/20/87/33/387208733.db2.gz PGQRMFVZLUSGCE-MCIONIFRSA-N 0 3 249.402 3.065 20 0 BGADHN CCn1ccnc1CNC[C@@H]1CCC[C@H](C)[C@H]1C ZINC000571946421 387210309 /nfs/dbraw/zinc/21/03/09/387210309.db2.gz PGQRMFVZLUSGCE-MJBXVCDLSA-N 0 3 249.402 3.065 20 0 BGADHN CCn1ccnc1CNC[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000571946423 387210698 /nfs/dbraw/zinc/21/06/98/387210698.db2.gz PGQRMFVZLUSGCE-RDBSUJKOSA-N 0 3 249.402 3.065 20 0 BGADHN COc1cc(C)ccc1[C@@H](C)N[C@@H]1CC12CC2 ZINC000571992528 387216888 /nfs/dbraw/zinc/21/68/88/387216888.db2.gz MPDXYGPWBUTEEA-BXUZGUMPSA-N 0 3 231.339 3.207 20 0 BGADHN COc1cc(C)ccc1[C@H](C)N[C@H]1CC12CC2 ZINC000571992529 387216870 /nfs/dbraw/zinc/21/68/70/387216870.db2.gz MPDXYGPWBUTEEA-FZMZJTMJSA-N 0 3 231.339 3.207 20 0 BGADHN COc1cc(C)ccc1[C@@H](C)N[C@H]1CC12CC2 ZINC000571992530 387217128 /nfs/dbraw/zinc/21/71/28/387217128.db2.gz MPDXYGPWBUTEEA-RISCZKNCSA-N 0 3 231.339 3.207 20 0 BGADHN COc1cc(C)ccc1[C@H](C)N[C@@H]1CC12CC2 ZINC000571992531 387217189 /nfs/dbraw/zinc/21/71/89/387217189.db2.gz MPDXYGPWBUTEEA-SMDDNHRTSA-N 0 3 231.339 3.207 20 0 BGADHN Cc1cccc(COc2cc(C)nc(C)c2C)n1 ZINC000572016301 387218990 /nfs/dbraw/zinc/21/89/90/387218990.db2.gz VJAARMHIWIHZMZ-UHFFFAOYSA-N 0 3 242.322 3.289 20 0 BGADHN CN(Cc1cnn(-c2ccccc2)c1)C(C)(C)C ZINC000572032688 387222372 /nfs/dbraw/zinc/22/23/72/387222372.db2.gz XWQXBPZPMVVPKM-UHFFFAOYSA-N 0 3 243.354 3.103 20 0 BGADHN C[C@H](CNC1(CF)CCC1)c1ccc(F)cc1 ZINC000572038323 323528254 /nfs/dbraw/zinc/52/82/54/323528254.db2.gz YEETUQROTOFVIJ-LLVKDONJSA-N 0 3 239.309 3.411 20 0 BGADHN C[C@@H](CNC1(CF)CCC1)c1ccc(F)cc1 ZINC000572038324 323528484 /nfs/dbraw/zinc/52/84/84/323528484.db2.gz YEETUQROTOFVIJ-NSHDSACASA-N 0 3 239.309 3.411 20 0 BGADHN Cc1ccc(C2CCN(CC3(F)CC3)CC2)cn1 ZINC000572064295 387226923 /nfs/dbraw/zinc/22/69/23/387226923.db2.gz JKERCTNXYNWNTG-UHFFFAOYSA-N 0 3 248.345 3.072 20 0 BGADHN Cc1cccc(CCCN[C@H](C)c2ccoc2)n1 ZINC000572066042 387227398 /nfs/dbraw/zinc/22/73/98/387227398.db2.gz VEGDBSPBUIIYHV-CYBMUJFWSA-N 0 3 244.338 3.266 20 0 BGADHN Cc1cccc(CCCN[C@@H](C)c2ccoc2)n1 ZINC000572066043 387228143 /nfs/dbraw/zinc/22/81/43/387228143.db2.gz VEGDBSPBUIIYHV-ZDUSSCGKSA-N 0 3 244.338 3.266 20 0 BGADHN Cc1cc(CN[C@H](C)[C@@H]2CCCC[C@H]2C)no1 ZINC000572090184 387229847 /nfs/dbraw/zinc/22/98/47/387229847.db2.gz OICXFFQRKRJROG-MPKXVKKWSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1cc(CN[C@H](C)[C@H]2CCCC[C@H]2C)no1 ZINC000572090185 323533412 /nfs/dbraw/zinc/53/34/12/323533412.db2.gz OICXFFQRKRJROG-QKCSRTOESA-N 0 3 236.359 3.287 20 0 BGADHN Cc1cc(CN[C@H](C)[C@H]2CCCC[C@@H]2C)no1 ZINC000572090186 323533482 /nfs/dbraw/zinc/53/34/82/323533482.db2.gz OICXFFQRKRJROG-SUHUHFCYSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1cc(CN[C@H](C)[C@@H]2CCCC[C@@H]2C)no1 ZINC000572090187 323533678 /nfs/dbraw/zinc/53/36/78/323533678.db2.gz OICXFFQRKRJROG-ZKYQVNSYSA-N 0 3 236.359 3.287 20 0 BGADHN CCC(C)(C)[C@H](C)NCc1nc(C)cs1 ZINC000572092315 387231599 /nfs/dbraw/zinc/23/15/99/387231599.db2.gz KQSILVQZIWYMCW-JTQLQIEISA-N 0 3 226.389 3.366 20 0 BGADHN CCC(C)(C)[C@@H](C)NCc1nc(C)cs1 ZINC000572092316 323536329 /nfs/dbraw/zinc/53/63/29/323536329.db2.gz KQSILVQZIWYMCW-SNVBAGLBSA-N 0 3 226.389 3.366 20 0 BGADHN CN(Cc1cccc2c1OCCCO2)C(C)(C)C ZINC000572122021 387239402 /nfs/dbraw/zinc/23/94/02/387239402.db2.gz PRPCPVNHIHUBDL-UHFFFAOYSA-N 0 3 249.354 3.078 20 0 BGADHN COc1ccc(CN2[C@H](C)CC[C@H]2C)c(F)c1 ZINC000572125638 323544920 /nfs/dbraw/zinc/54/49/20/323544920.db2.gz DAZPKNSMZRXNAO-GHMZBOCLSA-N 0 3 237.318 3.207 20 0 BGADHN COc1ccc(CN2[C@H](C)CC[C@@H]2C)c(F)c1 ZINC000572125639 387241447 /nfs/dbraw/zinc/24/14/47/387241447.db2.gz DAZPKNSMZRXNAO-PHIMTYICSA-N 0 3 237.318 3.207 20 0 BGADHN COc1ccc(CN2[C@@H](C)CC[C@@H]2C)c(F)c1 ZINC000572125640 323544993 /nfs/dbraw/zinc/54/49/93/323544993.db2.gz DAZPKNSMZRXNAO-QWRGUYRKSA-N 0 3 237.318 3.207 20 0 BGADHN CC[C@@H](C)[C@@H](C)NCc1noc2ccccc12 ZINC000572134550 323549479 /nfs/dbraw/zinc/54/94/79/323549479.db2.gz BGGURJPBTRYDNM-GHMZBOCLSA-N 0 3 232.327 3.352 20 0 BGADHN CC[C@@H](C)[C@H](C)NCc1noc2ccccc12 ZINC000572134551 387246788 /nfs/dbraw/zinc/24/67/88/387246788.db2.gz BGGURJPBTRYDNM-MNOVXSKESA-N 0 3 232.327 3.352 20 0 BGADHN CC[C@H](C)[C@H](C)NCc1noc2ccccc12 ZINC000572134552 387244939 /nfs/dbraw/zinc/24/49/39/387244939.db2.gz BGGURJPBTRYDNM-QWRGUYRKSA-N 0 3 232.327 3.352 20 0 BGADHN CC[C@H](C)[C@@H](C)NCc1noc2ccccc12 ZINC000572134553 323550022 /nfs/dbraw/zinc/55/00/22/323550022.db2.gz BGGURJPBTRYDNM-WDEREUQCSA-N 0 3 232.327 3.352 20 0 BGADHN CCc1cccc(CNC(C)(C)CF)c1 ZINC000572166274 323556308 /nfs/dbraw/zinc/55/63/08/323556308.db2.gz IUVBPXNVFNHAKZ-UHFFFAOYSA-N 0 3 209.308 3.087 20 0 BGADHN CCCC[C@@H](C)N(C)Cc1cnc2ccccn12 ZINC000572169976 387255670 /nfs/dbraw/zinc/25/56/70/387255670.db2.gz CCDYZNKPULOSNY-CYBMUJFWSA-N 0 3 245.370 3.345 20 0 BGADHN CCCC[C@H](C)N(C)Cc1cnc2ccccn12 ZINC000572169977 387255124 /nfs/dbraw/zinc/25/51/24/387255124.db2.gz CCDYZNKPULOSNY-ZDUSSCGKSA-N 0 3 245.370 3.345 20 0 BGADHN COc1cccnc1CN[C@H]1CCCCC1(C)C ZINC000572211567 387267242 /nfs/dbraw/zinc/26/72/42/387267242.db2.gz DIKGEFCMQBYVOF-AWEZNQCLSA-N 0 3 248.370 3.149 20 0 BGADHN COc1cccnc1CN[C@@H]1CCCCC1(C)C ZINC000572211568 387268377 /nfs/dbraw/zinc/26/83/77/387268377.db2.gz DIKGEFCMQBYVOF-CQSZACIVSA-N 0 3 248.370 3.149 20 0 BGADHN CCOc1ccccc1CN(C)CC1(C)CC1 ZINC000572221063 387274255 /nfs/dbraw/zinc/27/42/55/387274255.db2.gz BWCTYGBUPBLBAE-UHFFFAOYSA-N 0 3 233.355 3.317 20 0 BGADHN COc1ccc(CN(C)CCC2CC2)c(F)c1 ZINC000572248747 387278826 /nfs/dbraw/zinc/27/88/26/387278826.db2.gz PBXSAJJIQPDZDP-UHFFFAOYSA-N 0 3 237.318 3.066 20 0 BGADHN CCC(C)(C)CNCc1ccc2c(n1)CCC2 ZINC000572250653 387278696 /nfs/dbraw/zinc/27/86/96/387278696.db2.gz RAMSAKYXBAIKFU-UHFFFAOYSA-N 0 3 232.371 3.096 20 0 BGADHN CC(C)=CCN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000572253053 387285343 /nfs/dbraw/zinc/28/53/43/387285343.db2.gz KQFUHMASDXNGTH-UHFFFAOYSA-N 0 3 248.326 3.035 20 0 BGADHN FC1(F)CC(NCc2ccc3[nH]ccc3c2)C1 ZINC000572256302 387288169 /nfs/dbraw/zinc/28/81/69/387288169.db2.gz IKODCILJQYOGIX-UHFFFAOYSA-N 0 3 236.265 3.055 20 0 BGADHN Cc1cccc(CN(C)C(C)(C)C)c1F ZINC000572287838 387307441 /nfs/dbraw/zinc/30/74/41/387307441.db2.gz QRXKHMOETIIGTR-UHFFFAOYSA-N 0 3 209.308 3.364 20 0 BGADHN Cc1nc(CN[C@@H](C)CCC(C)(C)C)[nH]c1C ZINC000572304764 387310967 /nfs/dbraw/zinc/31/09/67/387310967.db2.gz ZMMMOUXLPMAACL-JTQLQIEISA-N 0 3 237.391 3.331 20 0 BGADHN Cc1nc(CN[C@H](C)CCC(C)(C)C)[nH]c1C ZINC000572304765 387310848 /nfs/dbraw/zinc/31/08/48/387310848.db2.gz ZMMMOUXLPMAACL-SNVBAGLBSA-N 0 3 237.391 3.331 20 0 BGADHN C[C@@H]1CCN(C/C=C/c2ccc(F)c(F)c2)C1 ZINC000572323977 387322042 /nfs/dbraw/zinc/32/20/42/387322042.db2.gz CKIATJODKAHARJ-KXMPLOMGSA-N 0 3 237.293 3.320 20 0 BGADHN C[C@@H]1CCN(C/C=C\c2ccc(F)c(F)c2)C1 ZINC000572323978 387320401 /nfs/dbraw/zinc/32/04/01/387320401.db2.gz CKIATJODKAHARJ-OTDNITJGSA-N 0 3 237.293 3.320 20 0 BGADHN C[C@H]1CCN(C/C=C\c2ccc(F)c(F)c2)C1 ZINC000572323979 387321458 /nfs/dbraw/zinc/32/14/58/387321458.db2.gz CKIATJODKAHARJ-QUCGXOGASA-N 0 3 237.293 3.320 20 0 BGADHN C[C@H]1CCN(C/C=C/c2ccc(F)c(F)c2)C1 ZINC000572323980 387322548 /nfs/dbraw/zinc/32/25/48/387322548.db2.gz CKIATJODKAHARJ-VUDBWIFFSA-N 0 3 237.293 3.320 20 0 BGADHN CC(C)(C)CCNCc1ccc2c(n1)CCC2 ZINC000572340667 387335396 /nfs/dbraw/zinc/33/53/96/387335396.db2.gz YYJJKKUSRANCKA-UHFFFAOYSA-N 0 3 232.371 3.096 20 0 BGADHN CC/C=C\CNCc1cnc(C2CC2)s1 ZINC000572352278 387339850 /nfs/dbraw/zinc/33/98/50/387339850.db2.gz AUTPIJRATRCBKK-ARJAWSKDSA-N 0 3 222.357 3.076 20 0 BGADHN CC/C=C/CNCc1cnc(C2CC2)s1 ZINC000572352279 387339316 /nfs/dbraw/zinc/33/93/16/387339316.db2.gz AUTPIJRATRCBKK-ONEGZZNKSA-N 0 3 222.357 3.076 20 0 BGADHN CCC1CCN(Cc2c(C)nsc2C)CC1 ZINC000572419964 398142434 /nfs/dbraw/zinc/14/24/34/398142434.db2.gz AQPNGLRHKYJXIB-UHFFFAOYSA-N 0 3 238.400 3.382 20 0 BGADHN Cc1nc(CNC2CCC(C)(C)CC2)[nH]c1C ZINC000572424241 323625841 /nfs/dbraw/zinc/62/58/41/323625841.db2.gz ANDMZAKOJQDZAM-UHFFFAOYSA-N 0 3 235.375 3.085 20 0 BGADHN Cc1nsc(C)c1CN(C)C1CCCC1 ZINC000572443957 387451562 /nfs/dbraw/zinc/45/15/62/387451562.db2.gz XNEIJBFFARVFGG-UHFFFAOYSA-N 0 3 224.373 3.134 20 0 BGADHN CCc1ccc(CN2CCC=C(C)C2)s1 ZINC000572444379 398145531 /nfs/dbraw/zinc/14/55/31/398145531.db2.gz ANFOEZQTBFHTSD-UHFFFAOYSA-N 0 3 221.369 3.463 20 0 BGADHN CC(C)CC[C@@H]1CCC[C@H]1NCc1cnccn1 ZINC000572460319 387510155 /nfs/dbraw/zinc/51/01/55/387510155.db2.gz CJCLJIILLWONEQ-DZGCQCFKSA-N 0 3 247.386 3.171 20 0 BGADHN CC(C)CC[C@H]1CCC[C@@H]1NCc1cnccn1 ZINC000572460320 387509417 /nfs/dbraw/zinc/50/94/17/387509417.db2.gz CJCLJIILLWONEQ-HIFRSBDPSA-N 0 3 247.386 3.171 20 0 BGADHN CC(C)CC[C@H]1CCC[C@H]1NCc1cnccn1 ZINC000572460321 387510527 /nfs/dbraw/zinc/51/05/27/387510527.db2.gz CJCLJIILLWONEQ-UKRRQHHQSA-N 0 3 247.386 3.171 20 0 BGADHN CC(C)CC[C@@H]1CCC[C@@H]1NCc1cnccn1 ZINC000572460322 323640864 /nfs/dbraw/zinc/64/08/64/323640864.db2.gz CJCLJIILLWONEQ-ZFWWWQNUSA-N 0 3 247.386 3.171 20 0 BGADHN COc1ccc(CN(C)[C@@H](C)C2CC2)c(F)c1 ZINC000572488209 324128107 /nfs/dbraw/zinc/12/81/07/324128107.db2.gz ACKCCXPVMZGOJF-JTQLQIEISA-N 0 3 237.318 3.065 20 0 BGADHN COc1ccc(CN(C)[C@H](C)C2CC2)c(F)c1 ZINC000572488220 324128121 /nfs/dbraw/zinc/12/81/21/324128121.db2.gz ACKCCXPVMZGOJF-SNVBAGLBSA-N 0 3 237.318 3.065 20 0 BGADHN CC[C@@H](F)COc1cc(C)nc(C)c1C ZINC000572497173 324133799 /nfs/dbraw/zinc/13/37/99/324133799.db2.gz FJMDISHJUYSCOQ-LLVKDONJSA-N 0 3 211.280 3.134 20 0 BGADHN CC[C@H](F)COc1cc(C)nc(C)c1C ZINC000572497174 324133996 /nfs/dbraw/zinc/13/39/96/324133996.db2.gz FJMDISHJUYSCOQ-NSHDSACASA-N 0 3 211.280 3.134 20 0 BGADHN CCc1cnc(COc2cc(C)nc(C)c2C)o1 ZINC000572497494 324134166 /nfs/dbraw/zinc/13/41/66/324134166.db2.gz RQZMXQWWMHOJIL-UHFFFAOYSA-N 0 3 246.310 3.136 20 0 BGADHN CC[C@H]1CC[C@@H]1N[C@@H]1CCOc2c(F)cccc21 ZINC000572504992 324135981 /nfs/dbraw/zinc/13/59/81/324135981.db2.gz XNQQENODIKIWEB-LEWSCRJBSA-N 0 3 249.329 3.428 20 0 BGADHN CC[C@H]1CC[C@H]1N[C@@H]1CCOc2c(F)cccc21 ZINC000572504993 324136397 /nfs/dbraw/zinc/13/63/97/324136397.db2.gz XNQQENODIKIWEB-ZLKJLUDKSA-N 0 3 249.329 3.428 20 0 BGADHN CC[C@@H]1CCCC[C@H]1NCc1nc(C)c(C)[nH]1 ZINC000572543070 325710683 /nfs/dbraw/zinc/71/06/83/325710683.db2.gz YKBRIVUAPKEPIE-CHWSQXEVSA-N 0 3 235.375 3.085 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1NCc1nc(C)c(C)[nH]1 ZINC000572543071 388804691 /nfs/dbraw/zinc/80/46/91/388804691.db2.gz YKBRIVUAPKEPIE-OLZOCXBDSA-N 0 3 235.375 3.085 20 0 BGADHN CC[C@H]1CCCC[C@H]1NCc1nc(C)c(C)[nH]1 ZINC000572543072 325711427 /nfs/dbraw/zinc/71/14/27/325711427.db2.gz YKBRIVUAPKEPIE-QWHCGFSZSA-N 0 3 235.375 3.085 20 0 BGADHN CC[C@H]1CCCC[C@@H]1NCc1nc(C)c(C)[nH]1 ZINC000572543073 388805221 /nfs/dbraw/zinc/80/52/21/388805221.db2.gz YKBRIVUAPKEPIE-STQMWFEESA-N 0 3 235.375 3.085 20 0 BGADHN CN(Cc1ccc2c(n1)CCC2)C1CC(C)(C)C1 ZINC000572580069 326109518 /nfs/dbraw/zinc/10/95/18/326109518.db2.gz NFCWVMCHCBQIJU-UHFFFAOYSA-N 0 3 244.382 3.191 20 0 BGADHN Fc1cccc([C@@H]2C[C@H]2N2C3CCC2CC3)c1 ZINC000572580918 326126712 /nfs/dbraw/zinc/12/67/12/326126712.db2.gz XDTSAIHWRDGOPT-PFSRBDOWSA-N 0 3 231.314 3.308 20 0 BGADHN Fc1cccc([C@@H]2C[C@@H]2N2C3CCC2CC3)c1 ZINC000572580919 326126695 /nfs/dbraw/zinc/12/66/95/326126695.db2.gz XDTSAIHWRDGOPT-WUCCLRPBSA-N 0 3 231.314 3.308 20 0 BGADHN COc1cccc2c1CC[C@H]2N[C@H]1CCC[C@H]1F ZINC000572588328 326266521 /nfs/dbraw/zinc/26/65/21/326266521.db2.gz ROZGRYDDTARWTF-MCIONIFRSA-N 0 3 249.329 3.163 20 0 BGADHN Cc1cc(CN2CC(CC(F)F)C2)c(C)s1 ZINC000572596673 359348767 /nfs/dbraw/zinc/34/87/67/359348767.db2.gz PPRONGANOLNZFP-UHFFFAOYSA-N 0 3 245.338 3.452 20 0 BGADHN CCc1nocc1CNC[C@@H]1CC2CCC1CC2 ZINC000572601466 388360984 /nfs/dbraw/zinc/36/09/84/388360984.db2.gz OLPAEKIBOOTQJM-BPCQOVAHSA-N 0 3 248.370 3.153 20 0 BGADHN CCc1nocc1CNC[C@H]1CC2CCC1CC2 ZINC000572601467 326400304 /nfs/dbraw/zinc/40/03/04/326400304.db2.gz OLPAEKIBOOTQJM-WXRRBKDZSA-N 0 3 248.370 3.153 20 0 BGADHN CC(C)=CCN1CC[C@H](Oc2ccccc2)C1 ZINC000572637092 323049319 /nfs/dbraw/zinc/04/93/19/323049319.db2.gz OIVJVLZWCYBUAR-HNNXBMFYSA-N 0 3 231.339 3.106 20 0 BGADHN C[C@@H](CN1C[C@H](C)OC(C)(C)C1)c1ccccc1 ZINC000572639502 388362686 /nfs/dbraw/zinc/36/26/86/388362686.db2.gz KKEVTFDCAOOHOP-KBPBESRZSA-N 0 3 247.382 3.289 20 0 BGADHN C[C@H](CN1C[C@H](C)OC(C)(C)C1)c1ccccc1 ZINC000572639503 388363100 /nfs/dbraw/zinc/36/31/00/388363100.db2.gz KKEVTFDCAOOHOP-KGLIPLIRSA-N 0 3 247.382 3.289 20 0 BGADHN C[C@@H](CN1C[C@@H](C)OC(C)(C)C1)c1ccccc1 ZINC000572639504 388363396 /nfs/dbraw/zinc/36/33/96/388363396.db2.gz KKEVTFDCAOOHOP-UONOGXRCSA-N 0 3 247.382 3.289 20 0 BGADHN C[C@H](CN1C[C@@H](C)OC(C)(C)C1)c1ccccc1 ZINC000572639505 388363344 /nfs/dbraw/zinc/36/33/44/388363344.db2.gz KKEVTFDCAOOHOP-ZIAGYGMSSA-N 0 3 247.382 3.289 20 0 BGADHN CC(C)CCCNCc1noc2ccccc12 ZINC000572661797 388363983 /nfs/dbraw/zinc/36/39/83/388363983.db2.gz SFNCSAGGHXHOQO-UHFFFAOYSA-N 0 3 232.327 3.354 20 0 BGADHN CC1(CN[C@@H]2CCOc3c(F)cccc32)CC1 ZINC000572696555 388366487 /nfs/dbraw/zinc/36/64/87/388366487.db2.gz ISQBLJMTSODCPG-GFCCVEGCSA-N 0 3 235.302 3.039 20 0 BGADHN CC1(C)CCCN(Cc2ccc3c(n2)CCC3)C1 ZINC000572723796 388370689 /nfs/dbraw/zinc/37/06/89/388370689.db2.gz BNCFFIZPOHITAC-UHFFFAOYSA-N 0 3 244.382 3.192 20 0 BGADHN Cc1nc(CN[C@@H](C)[C@H]2CCC[C@H](C)C2)[nH]c1C ZINC000572736920 326407975 /nfs/dbraw/zinc/40/79/75/326407975.db2.gz JNZCBDKSIZNQBK-BPNCWPANSA-N 0 3 249.402 3.331 20 0 BGADHN Cc1nc(CN[C@@H](C)[C@@H]2CCC[C@@H](C)C2)[nH]c1C ZINC000572736921 388371744 /nfs/dbraw/zinc/37/17/44/388371744.db2.gz JNZCBDKSIZNQBK-DDTOSNHZSA-N 0 3 249.402 3.331 20 0 BGADHN Cc1nc(CN[C@@H](C)[C@@H]2CCC[C@H](C)C2)[nH]c1C ZINC000572736922 326407894 /nfs/dbraw/zinc/40/78/94/326407894.db2.gz JNZCBDKSIZNQBK-LEWSCRJBSA-N 0 3 249.402 3.331 20 0 BGADHN Cc1nc(CN[C@@H](C)[C@H]2CCC[C@@H](C)C2)[nH]c1C ZINC000572736923 388371870 /nfs/dbraw/zinc/37/18/70/388371870.db2.gz JNZCBDKSIZNQBK-SWHYSGLUSA-N 0 3 249.402 3.331 20 0 BGADHN Fc1cnccc1CNC[C@H]1CC2CCC1CC2 ZINC000572762018 388374719 /nfs/dbraw/zinc/37/47/19/388374719.db2.gz RJXFKMASULMGIC-ORHYLEIMSA-N 0 3 248.345 3.137 20 0 BGADHN Fc1cnccc1CNC[C@@H]1CC2CCC1CC2 ZINC000572762019 388374768 /nfs/dbraw/zinc/37/47/68/388374768.db2.gz RJXFKMASULMGIC-YIZWMMSDSA-N 0 3 248.345 3.137 20 0 BGADHN CCN(Cc1ccc(OC)cc1F)C(C)C ZINC000572771627 388374063 /nfs/dbraw/zinc/37/40/63/388374063.db2.gz OETDSCKMRPFPSS-UHFFFAOYSA-N 0 3 225.307 3.065 20 0 BGADHN CCc1cccc(CNC2(CF)CCC2)c1 ZINC000572771908 388374557 /nfs/dbraw/zinc/37/45/57/388374557.db2.gz ZLBYVOFKXVHTGB-UHFFFAOYSA-N 0 3 221.319 3.231 20 0 BGADHN C[C@@H]1COc2ccccc2CN1CC1(C)CC1 ZINC000572816586 388378842 /nfs/dbraw/zinc/37/88/42/388378842.db2.gz IAXBRKWRSJEMHA-GFCCVEGCSA-N 0 3 231.339 3.070 20 0 BGADHN C[C@H]1COc2ccccc2CN1CC1(C)CC1 ZINC000572816587 388378920 /nfs/dbraw/zinc/37/89/20/388378920.db2.gz IAXBRKWRSJEMHA-LBPRGKRZSA-N 0 3 231.339 3.070 20 0 BGADHN CC1(C2(NCc3cnc(C4CC4)s3)CC2)CC1 ZINC000572828358 388379815 /nfs/dbraw/zinc/37/98/15/388379815.db2.gz VSPRIJWDDISUPK-UHFFFAOYSA-N 0 3 248.395 3.443 20 0 BGADHN C[C@@H]1C[C@@H](C)N1CCc1cccc(Cl)c1 ZINC000572842376 326414075 /nfs/dbraw/zinc/41/40/75/326414075.db2.gz RPABNQRBMRPOSD-GHMZBOCLSA-N 0 3 223.747 3.365 20 0 BGADHN C[C@@H]1C[C@H](C)N1CCc1cccc(Cl)c1 ZINC000572842377 388380640 /nfs/dbraw/zinc/38/06/40/388380640.db2.gz RPABNQRBMRPOSD-PHIMTYICSA-N 0 3 223.747 3.365 20 0 BGADHN C[C@H]1C[C@H](C)N1CCc1cccc(Cl)c1 ZINC000572842378 388381044 /nfs/dbraw/zinc/38/10/44/388381044.db2.gz RPABNQRBMRPOSD-QWRGUYRKSA-N 0 3 223.747 3.365 20 0 BGADHN C[C@@H](NCc1cc(C(C)(C)C)on1)C(C)(C)C ZINC000572845891 388380109 /nfs/dbraw/zinc/38/01/09/388380109.db2.gz GRHXGLQPOMWJFV-SNVBAGLBSA-N 0 3 238.375 3.496 20 0 BGADHN CCCOC1(CNCC2(F)CC2)CCCCC1 ZINC000572886767 326417202 /nfs/dbraw/zinc/41/72/02/326417202.db2.gz CIZVNLJHFASYPN-UHFFFAOYSA-N 0 3 243.366 3.208 20 0 BGADHN CC(C)[C@@H](N[C@H]1CCC[C@H]1F)c1cccnc1 ZINC000572890832 326417497 /nfs/dbraw/zinc/41/74/97/326417497.db2.gz MINDZTQRVOVNHU-HZSPNIEDSA-N 0 3 236.334 3.259 20 0 BGADHN C[C@@H](NC[C@@H]1CC1(C)C)c1cn2ccccc2n1 ZINC000572975087 326422114 /nfs/dbraw/zinc/42/21/14/326422114.db2.gz KWEMJIYUFVUYTJ-NEPJUHHUSA-N 0 3 243.354 3.031 20 0 BGADHN C[C@H](NC[C@H]1CC1(C)C)c1cn2ccccc2n1 ZINC000572975088 370705812 /nfs/dbraw/zinc/70/58/12/370705812.db2.gz KWEMJIYUFVUYTJ-NWDGAFQWSA-N 0 3 243.354 3.031 20 0 BGADHN C[C@H](NC[C@@H]1CC1(C)C)c1cn2ccccc2n1 ZINC000572975089 326422207 /nfs/dbraw/zinc/42/22/07/326422207.db2.gz KWEMJIYUFVUYTJ-RYUDHWBXSA-N 0 3 243.354 3.031 20 0 BGADHN C[C@@H](NC[C@H]1CC1(C)C)c1cn2ccccc2n1 ZINC000572975090 326422216 /nfs/dbraw/zinc/42/22/16/326422216.db2.gz KWEMJIYUFVUYTJ-VXGBXAGGSA-N 0 3 243.354 3.031 20 0 BGADHN O=C1CCN(CC23CCC(CC2)C3)C2(CCC2)C1 ZINC000572982269 388402364 /nfs/dbraw/zinc/40/23/64/388402364.db2.gz QDOWLLBVJSGGQQ-UHFFFAOYSA-N 0 3 247.382 3.154 20 0 BGADHN CCc1cnc(CN2CC(C)(C)[C@@H]3CCC[C@H]32)o1 ZINC000573027975 388408518 /nfs/dbraw/zinc/40/85/18/388408518.db2.gz YMVZYYHCOXNLMJ-CHWSQXEVSA-N 0 3 248.370 3.248 20 0 BGADHN CCc1cnc(CN2CC(C)(C)[C@@H]3CCC[C@@H]32)o1 ZINC000573027976 388408775 /nfs/dbraw/zinc/40/87/75/388408775.db2.gz YMVZYYHCOXNLMJ-OLZOCXBDSA-N 0 3 248.370 3.248 20 0 BGADHN CCc1cnc(CN2CC(C)(C)[C@H]3CCC[C@H]32)o1 ZINC000573027977 388409148 /nfs/dbraw/zinc/40/91/48/388409148.db2.gz YMVZYYHCOXNLMJ-QWHCGFSZSA-N 0 3 248.370 3.248 20 0 BGADHN CCc1cnc(CN2CC(C)(C)[C@H]3CCC[C@@H]32)o1 ZINC000573027978 388408803 /nfs/dbraw/zinc/40/88/03/388408803.db2.gz YMVZYYHCOXNLMJ-STQMWFEESA-N 0 3 248.370 3.248 20 0 BGADHN CC[C@H](NCC(C)(F)F)C1CCCC1 ZINC000573058820 326427355 /nfs/dbraw/zinc/42/73/55/326427355.db2.gz BJDSCDLNTRQGPA-JTQLQIEISA-N 0 3 205.292 3.200 20 0 BGADHN CC[C@@H](NCC(C)(F)F)C1CCCC1 ZINC000573058821 326427310 /nfs/dbraw/zinc/42/73/10/326427310.db2.gz BJDSCDLNTRQGPA-SNVBAGLBSA-N 0 3 205.292 3.200 20 0 BGADHN CN(Cc1ccccc1F)CC1(C)CC1 ZINC000573059546 388414447 /nfs/dbraw/zinc/41/44/47/388414447.db2.gz MLVBPKVRMJWIQU-UHFFFAOYSA-N 0 3 207.292 3.058 20 0 BGADHN CC(C)n1cc([C@@H](C)NC2CC3(CCC3)C2)cn1 ZINC000573064491 326427852 /nfs/dbraw/zinc/42/78/52/326427852.db2.gz DECFKTBVYOLBDQ-GFCCVEGCSA-N 0 3 247.386 3.447 20 0 BGADHN CC(C)n1cc([C@H](C)NC2CC3(CCC3)C2)cn1 ZINC000573064492 326427730 /nfs/dbraw/zinc/42/77/30/326427730.db2.gz DECFKTBVYOLBDQ-LBPRGKRZSA-N 0 3 247.386 3.447 20 0 BGADHN CCC[C@H]1CCCC[C@H]1NCc1cc(C)ncn1 ZINC000573156999 388426202 /nfs/dbraw/zinc/42/62/02/388426202.db2.gz XCOUENPHPHHJAI-DZGCQCFKSA-N 0 3 247.386 3.234 20 0 BGADHN CCC[C@@H]1CCCC[C@@H]1NCc1cc(C)ncn1 ZINC000573157006 322953778 /nfs/dbraw/zinc/95/37/78/322953778.db2.gz XCOUENPHPHHJAI-HIFRSBDPSA-N 0 3 247.386 3.234 20 0 BGADHN CCC[C@@H]1CCCC[C@H]1NCc1cc(C)ncn1 ZINC000573157008 384244843 /nfs/dbraw/zinc/24/48/43/384244843.db2.gz XCOUENPHPHHJAI-UKRRQHHQSA-N 0 3 247.386 3.234 20 0 BGADHN CCC[C@H]1CCCC[C@@H]1NCc1cc(C)ncn1 ZINC000573157009 384244654 /nfs/dbraw/zinc/24/46/54/384244654.db2.gz XCOUENPHPHHJAI-ZFWWWQNUSA-N 0 3 247.386 3.234 20 0 BGADHN Cc1ccc2c(c1C)OC[C@H]2NCC1(C)CC1 ZINC000573183165 388429496 /nfs/dbraw/zinc/42/94/96/388429496.db2.gz WJOQFTKFPIYFNM-CYBMUJFWSA-N 0 3 231.339 3.127 20 0 BGADHN Cc1ccc2c(c1C)OC[C@@H]2NCC1(C)CC1 ZINC000573183166 326433675 /nfs/dbraw/zinc/43/36/75/326433675.db2.gz WJOQFTKFPIYFNM-ZDUSSCGKSA-N 0 3 231.339 3.127 20 0 BGADHN Cc1nsc(C)c1CN1CC[C@@H](C)[C@H](C)C1 ZINC000573216896 388432855 /nfs/dbraw/zinc/43/28/55/388432855.db2.gz OSTPUGOVIHLQRG-NXEZZACHSA-N 0 3 238.400 3.238 20 0 BGADHN Cc1nsc(C)c1CN1CC[C@H](C)[C@@H](C)C1 ZINC000573216897 388432915 /nfs/dbraw/zinc/43/29/15/388432915.db2.gz OSTPUGOVIHLQRG-UWVGGRQHSA-N 0 3 238.400 3.238 20 0 BGADHN Cc1nsc(C)c1CN1CC[C@H](C)[C@H](C)C1 ZINC000573216898 388432804 /nfs/dbraw/zinc/43/28/04/388432804.db2.gz OSTPUGOVIHLQRG-VHSXEESVSA-N 0 3 238.400 3.238 20 0 BGADHN Cc1nsc(C)c1CN1CC[C@@H](C)[C@@H](C)C1 ZINC000573216899 388433152 /nfs/dbraw/zinc/43/31/52/388433152.db2.gz OSTPUGOVIHLQRG-ZJUUUORDSA-N 0 3 238.400 3.238 20 0 BGADHN CN(Cc1ccoc1)CC1Cc2ccccc2C1 ZINC000573258589 388435759 /nfs/dbraw/zinc/43/57/59/388435759.db2.gz JOSOWNZTNOWGCA-UHFFFAOYSA-N 0 3 241.334 3.126 20 0 BGADHN C[C@H](NCc1noc2ccccc12)C(C)(C)C ZINC000573265723 364790203 /nfs/dbraw/zinc/79/02/03/364790203.db2.gz HVDQCUCKAAOYAS-JTQLQIEISA-N 0 3 232.327 3.352 20 0 BGADHN C[C@@H](NCc1noc2ccccc12)C(C)(C)C ZINC000573265724 364790156 /nfs/dbraw/zinc/79/01/56/364790156.db2.gz HVDQCUCKAAOYAS-SNVBAGLBSA-N 0 3 232.327 3.352 20 0 BGADHN Fc1ccc(CN[C@@H]2CCCC23CC3)c(F)c1 ZINC000573267662 326438703 /nfs/dbraw/zinc/43/87/03/326438703.db2.gz OZIKCGYSEFMAOV-CYBMUJFWSA-N 0 3 237.293 3.387 20 0 BGADHN Fc1ccc(CN[C@H]2CCCC23CC3)c(F)c1 ZINC000573267663 388436808 /nfs/dbraw/zinc/43/68/08/388436808.db2.gz OZIKCGYSEFMAOV-ZDUSSCGKSA-N 0 3 237.293 3.387 20 0 BGADHN CC(C)[N@H+](Cc1cc([O-])cc(F)c1)CC1CC1 ZINC000573268330 388436909 /nfs/dbraw/zinc/43/69/09/388436909.db2.gz MBWZQSBOODAMIC-UHFFFAOYSA-N 0 3 237.318 3.152 20 0 BGADHN CC(C)[N@@H+](Cc1cc([O-])cc(F)c1)CC1CC1 ZINC000573268330 388436907 /nfs/dbraw/zinc/43/69/07/388436907.db2.gz MBWZQSBOODAMIC-UHFFFAOYSA-N 0 3 237.318 3.152 20 0 BGADHN COc1cc(CN2C3CCC2CC3)ccc1C ZINC000573289384 388439203 /nfs/dbraw/zinc/43/92/03/388439203.db2.gz HWPJQVDDIOTTKX-UHFFFAOYSA-N 0 3 231.339 3.130 20 0 BGADHN CN(Cc1cc(C(C)(C)C)[nH]n1)[C@@H]1C=CCCC1 ZINC000573314185 364795645 /nfs/dbraw/zinc/79/56/45/364795645.db2.gz KSDDPBDUIJPPFS-CYBMUJFWSA-N 0 3 247.386 3.248 20 0 BGADHN CN(Cc1cc(C(C)(C)C)[nH]n1)[C@H]1C=CCCC1 ZINC000573314186 364795616 /nfs/dbraw/zinc/79/56/16/364795616.db2.gz KSDDPBDUIJPPFS-ZDUSSCGKSA-N 0 3 247.386 3.248 20 0 BGADHN CC1(C)CN(Cc2ccccc2F)[C@H]1C1CC1 ZINC000573352821 364808817 /nfs/dbraw/zinc/80/88/17/364808817.db2.gz VYRHQUWHMBZQRP-AWEZNQCLSA-N 0 3 233.330 3.446 20 0 BGADHN CC1(C)CN(Cc2ccccc2F)[C@@H]1C1CC1 ZINC000573352822 364808744 /nfs/dbraw/zinc/80/87/44/364808744.db2.gz VYRHQUWHMBZQRP-CQSZACIVSA-N 0 3 233.330 3.446 20 0 BGADHN CCC(CC)c1cc(CNCC2(C)CC2)on1 ZINC000573420407 364828161 /nfs/dbraw/zinc/82/81/61/364828161.db2.gz OZWWWUJVSQYXGH-UHFFFAOYSA-N 0 3 236.359 3.468 20 0 BGADHN Fc1cnccc1CN(C1CC1)C1CCCC1 ZINC000573434782 364830924 /nfs/dbraw/zinc/83/09/24/364830924.db2.gz MBXBESGPBCFVCP-UHFFFAOYSA-N 0 3 234.318 3.128 20 0 BGADHN C[C@H](CCC1CC1)NCc1ccc2c(n1)CCC2 ZINC000573451615 364836416 /nfs/dbraw/zinc/83/64/16/364836416.db2.gz SNTDQCXZPHXFMD-GFCCVEGCSA-N 0 3 244.382 3.239 20 0 BGADHN C[C@@H](CCC1CC1)NCc1ccc2c(n1)CCC2 ZINC000573451616 364836684 /nfs/dbraw/zinc/83/66/84/364836684.db2.gz SNTDQCXZPHXFMD-LBPRGKRZSA-N 0 3 244.382 3.239 20 0 BGADHN Fc1cccc(CN[C@@H]2C[C@H]2C2CCC2)c1F ZINC000573556023 364859222 /nfs/dbraw/zinc/85/92/22/364859222.db2.gz BVTMDBMEPRBYDX-WCQYABFASA-N 0 3 237.293 3.243 20 0 BGADHN Cc1cc(OCC2CC(F)(F)C2)c(C)c(C)n1 ZINC000573577693 364867142 /nfs/dbraw/zinc/86/71/42/364867142.db2.gz WXHCMEXXNPEFQP-UHFFFAOYSA-N 0 3 241.281 3.431 20 0 BGADHN CC(C)=CCN(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000573600407 364870847 /nfs/dbraw/zinc/87/08/47/364870847.db2.gz RNPLMNGPBFRNOU-UHFFFAOYSA-N 0 3 235.375 3.105 20 0 BGADHN CCC(CC)N[C@H]1c2ccc(F)cc2O[C@H]1C ZINC000573607747 364874099 /nfs/dbraw/zinc/87/40/99/364874099.db2.gz UEPBVJRVRWTHIN-LKFCYVNXSA-N 0 3 237.318 3.426 20 0 BGADHN CCC(CC)N[C@@H]1c2ccc(F)cc2O[C@@H]1C ZINC000573607748 364873834 /nfs/dbraw/zinc/87/38/34/364873834.db2.gz UEPBVJRVRWTHIN-OTYXRUKQSA-N 0 3 237.318 3.426 20 0 BGADHN CCC(CC)N[C@@H]1c2ccc(F)cc2O[C@H]1C ZINC000573607749 364874131 /nfs/dbraw/zinc/87/41/31/364874131.db2.gz UEPBVJRVRWTHIN-XPTSAGLGSA-N 0 3 237.318 3.426 20 0 BGADHN CCC(CC)N[C@H]1c2ccc(F)cc2O[C@@H]1C ZINC000573607750 364873909 /nfs/dbraw/zinc/87/39/09/364873909.db2.gz UEPBVJRVRWTHIN-YMTOWFKASA-N 0 3 237.318 3.426 20 0 BGADHN CC1(C)CC(NCc2cnc(C3CC3)s2)C1 ZINC000573625532 364877858 /nfs/dbraw/zinc/87/78/58/364877858.db2.gz MGJNTZPEFAQJTI-UHFFFAOYSA-N 0 3 236.384 3.299 20 0 BGADHN CCc1cc(CN[C@H]2CC(C)(C)C[C@@H]2C)on1 ZINC000573639835 364881200 /nfs/dbraw/zinc/88/12/00/364881200.db2.gz ZLZJHJDCAWHBRC-GWCFXTLKSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1cc(CN[C@@H]2CC(C)(C)C[C@@H]2C)on1 ZINC000573639843 364881701 /nfs/dbraw/zinc/88/17/01/364881701.db2.gz ZLZJHJDCAWHBRC-GXFFZTMASA-N 0 3 236.359 3.151 20 0 BGADHN CCc1cc(CN[C@H]2CC(C)(C)C[C@H]2C)on1 ZINC000573639845 364882080 /nfs/dbraw/zinc/88/20/80/364882080.db2.gz ZLZJHJDCAWHBRC-MFKMUULPSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1cc(CN[C@@H]2CC(C)(C)C[C@H]2C)on1 ZINC000573639847 364882322 /nfs/dbraw/zinc/88/23/22/364882322.db2.gz ZLZJHJDCAWHBRC-ZWNOBZJWSA-N 0 3 236.359 3.151 20 0 BGADHN COCCN(C)CCc1ccc(C(C)(C)C)cc1 ZINC000573652335 364883283 /nfs/dbraw/zinc/88/32/83/364883283.db2.gz WDXATULPMGKWNP-UHFFFAOYSA-N 0 3 249.398 3.105 20 0 BGADHN CC1(C)CCC(C)(CNCc2cnccn2)CC1 ZINC000573665016 364886492 /nfs/dbraw/zinc/88/64/92/364886492.db2.gz NPEDDYDGXXEPMM-UHFFFAOYSA-N 0 3 247.386 3.173 20 0 BGADHN c1cc(CNCC2=CCCCC2)nc2c1CCC2 ZINC000573687026 364893215 /nfs/dbraw/zinc/89/32/15/364893215.db2.gz HYHCSKGNMFQRJL-UHFFFAOYSA-N 0 3 242.366 3.160 20 0 BGADHN Cc1ccc(F)c(CN[C@@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000573700176 364898072 /nfs/dbraw/zinc/89/80/72/364898072.db2.gz XMAWQJHIFBHNBC-DABQJJPHSA-N 0 3 219.303 3.022 20 0 BGADHN CCO[C@@H]1C[C@@H]1N[C@H](c1ccc(C)cc1)C1CC1 ZINC000573726285 364903827 /nfs/dbraw/zinc/90/38/27/364903827.db2.gz UEUDGPBQLZIQCU-ARFHVFGLSA-N 0 3 245.366 3.213 20 0 BGADHN CCO[C@@H]1C[C@H]1N[C@H](c1ccc(C)cc1)C1CC1 ZINC000573726286 364903889 /nfs/dbraw/zinc/90/38/89/364903889.db2.gz UEUDGPBQLZIQCU-BZUAXINKSA-N 0 3 245.366 3.213 20 0 BGADHN CCO[C@@H]1C[C@H]1N[C@@H](c1ccc(C)cc1)C1CC1 ZINC000573726287 364903911 /nfs/dbraw/zinc/90/39/11/364903911.db2.gz UEUDGPBQLZIQCU-OAGGEKHMSA-N 0 3 245.366 3.213 20 0 BGADHN CCO[C@@H]1C[C@@H]1N[C@@H](c1ccc(C)cc1)C1CC1 ZINC000573726288 364903179 /nfs/dbraw/zinc/90/31/79/364903179.db2.gz UEUDGPBQLZIQCU-XHSDSOJGSA-N 0 3 245.366 3.213 20 0 BGADHN CCCN(Cc1cnn(C(C)(C)C)c1)C(C)C ZINC000573741135 364906199 /nfs/dbraw/zinc/90/61/99/364906199.db2.gz FDWZBXHUAXVGOE-UHFFFAOYSA-N 0 3 237.391 3.259 20 0 BGADHN C[C@@H]1CCC[C@H](NCc2noc3ccccc32)C1 ZINC000573741361 364907064 /nfs/dbraw/zinc/90/70/64/364907064.db2.gz HKLOGRSQWFQCRN-NEPJUHHUSA-N 0 3 244.338 3.496 20 0 BGADHN C[C@H]1CCC[C@@H](NCc2noc3ccccc32)C1 ZINC000573741364 364906500 /nfs/dbraw/zinc/90/65/00/364906500.db2.gz HKLOGRSQWFQCRN-NWDGAFQWSA-N 0 3 244.338 3.496 20 0 BGADHN C[C@H]1CCC[C@H](NCc2noc3ccccc32)C1 ZINC000573741366 364906231 /nfs/dbraw/zinc/90/62/31/364906231.db2.gz HKLOGRSQWFQCRN-RYUDHWBXSA-N 0 3 244.338 3.496 20 0 BGADHN C[C@@H]1CCC[C@@H](NCc2noc3ccccc32)C1 ZINC000573741368 364906253 /nfs/dbraw/zinc/90/62/53/364906253.db2.gz HKLOGRSQWFQCRN-VXGBXAGGSA-N 0 3 244.338 3.496 20 0 BGADHN CCCCOc1ncccc1CNCC1(C)CC1 ZINC000573751452 364909341 /nfs/dbraw/zinc/90/93/41/364909341.db2.gz ANEXTQXWPWIGQN-UHFFFAOYSA-N 0 3 248.370 3.150 20 0 BGADHN CC1(CN(Cc2ccco2)C[C@@H]2CCCO2)CC1 ZINC000573753339 364909832 /nfs/dbraw/zinc/90/98/32/364909832.db2.gz YILFKIUGDOMJGT-AWEZNQCLSA-N 0 3 249.354 3.061 20 0 BGADHN CC1(CN(Cc2ccco2)C[C@H]2CCCO2)CC1 ZINC000573753340 364909747 /nfs/dbraw/zinc/90/97/47/364909747.db2.gz YILFKIUGDOMJGT-CQSZACIVSA-N 0 3 249.354 3.061 20 0 BGADHN C[C@@H]1C[C@@H](C)N1Cc1ccc2occc2c1 ZINC000573764175 364912284 /nfs/dbraw/zinc/91/22/84/364912284.db2.gz UWJJCVUMGHELMH-GHMZBOCLSA-N 0 3 215.296 3.416 20 0 BGADHN C[C@@H]1C[C@H](C)N1Cc1ccc2occc2c1 ZINC000573764178 364912762 /nfs/dbraw/zinc/91/27/62/364912762.db2.gz UWJJCVUMGHELMH-PHIMTYICSA-N 0 3 215.296 3.416 20 0 BGADHN C[C@H]1C[C@H](C)N1Cc1ccc2occc2c1 ZINC000573764179 364912599 /nfs/dbraw/zinc/91/25/99/364912599.db2.gz UWJJCVUMGHELMH-QWRGUYRKSA-N 0 3 215.296 3.416 20 0 BGADHN Clc1ccc(CN[C@H]2CCC[C@@H]3C[C@@H]32)nc1 ZINC000573779620 364913500 /nfs/dbraw/zinc/91/35/00/364913500.db2.gz VASWYFCLPUUEAZ-ICCXJUOJSA-N 0 3 236.746 3.013 20 0 BGADHN Clc1ccc(CN[C@@H]2CCC[C@@H]3C[C@@H]32)nc1 ZINC000573779621 364913999 /nfs/dbraw/zinc/91/39/99/364913999.db2.gz VASWYFCLPUUEAZ-JIMOISOXSA-N 0 3 236.746 3.013 20 0 BGADHN Cc1cccc(CN2C[C@H](C)OC3(CCC3)C2)c1 ZINC000573799605 364917949 /nfs/dbraw/zinc/91/79/49/364917949.db2.gz YHRPEPSNZHUFDY-AWEZNQCLSA-N 0 3 245.366 3.138 20 0 BGADHN Cc1cccc(CN2C[C@@H](C)OC3(CCC3)C2)c1 ZINC000573799622 364917744 /nfs/dbraw/zinc/91/77/44/364917744.db2.gz YHRPEPSNZHUFDY-CQSZACIVSA-N 0 3 245.366 3.138 20 0 BGADHN CCSCCOc1cc(C)nc(C)c1C ZINC000573814257 364922263 /nfs/dbraw/zinc/92/22/63/364922263.db2.gz CNQIHNJQGDWBMU-UHFFFAOYSA-N 0 3 225.357 3.139 20 0 BGADHN Cc1cnccc1CCN(C)[C@H](C)c1ccco1 ZINC000573839133 364928707 /nfs/dbraw/zinc/92/87/07/364928707.db2.gz ONIRJYNJSQQJCG-CYBMUJFWSA-N 0 3 244.338 3.219 20 0 BGADHN Cc1cnccc1CCN(C)[C@@H](C)c1ccco1 ZINC000573839134 364928237 /nfs/dbraw/zinc/92/82/37/364928237.db2.gz ONIRJYNJSQQJCG-ZDUSSCGKSA-N 0 3 244.338 3.219 20 0 BGADHN Fc1ccc(CN(C2CC2)C2CCCC2)nc1 ZINC000573862729 364935077 /nfs/dbraw/zinc/93/50/77/364935077.db2.gz MZOQLKRSLSSZLZ-UHFFFAOYSA-N 0 3 234.318 3.128 20 0 BGADHN Cc1nc(CN[C@@]2(C)CCCC[C@@H]2C)[nH]c1C ZINC000573863234 364935602 /nfs/dbraw/zinc/93/56/02/364935602.db2.gz LBEJUMCGPHPLIH-HZMBPMFUSA-N 0 3 235.375 3.085 20 0 BGADHN Cc1nc(CN[C@]2(C)CCCC[C@@H]2C)[nH]c1C ZINC000573863235 364935013 /nfs/dbraw/zinc/93/50/13/364935013.db2.gz LBEJUMCGPHPLIH-IINYFYTJSA-N 0 3 235.375 3.085 20 0 BGADHN Cc1nc(CN[C@]2(C)CCCC[C@H]2C)[nH]c1C ZINC000573863236 364935104 /nfs/dbraw/zinc/93/51/04/364935104.db2.gz LBEJUMCGPHPLIH-QMTHXVAHSA-N 0 3 235.375 3.085 20 0 BGADHN Cc1nc(CN[C@@]2(C)CCCC[C@H]2C)[nH]c1C ZINC000573863237 364935171 /nfs/dbraw/zinc/93/51/71/364935171.db2.gz LBEJUMCGPHPLIH-YGRLFVJLSA-N 0 3 235.375 3.085 20 0 BGADHN CCC(CC)N[C@H](C)c1cn2ccccc2n1 ZINC000573867908 364937223 /nfs/dbraw/zinc/93/72/23/364937223.db2.gz LPACGIUQBRATAA-LLVKDONJSA-N 0 3 231.343 3.174 20 0 BGADHN CCC(CC)N[C@@H](C)c1cn2ccccc2n1 ZINC000573867910 364937338 /nfs/dbraw/zinc/93/73/38/364937338.db2.gz LPACGIUQBRATAA-NSHDSACASA-N 0 3 231.343 3.174 20 0 BGADHN CN(Cc1cc(Cl)cs1)C1CCOCC1 ZINC000573871646 364932187 /nfs/dbraw/zinc/93/21/87/364932187.db2.gz DYHJUGUVDOIFIE-UHFFFAOYSA-N 0 3 245.775 3.012 20 0 BGADHN CCCN(Cc1cnc(CC)s1)C(C)C ZINC000573933857 364951372 /nfs/dbraw/zinc/95/13/72/364951372.db2.gz LWDWSESDQHCMOI-UHFFFAOYSA-N 0 3 226.389 3.326 20 0 BGADHN c1ccc2c(CN[C@H]3CCCC34CC4)noc2c1 ZINC000573936064 364952571 /nfs/dbraw/zinc/95/25/71/364952571.db2.gz WCGVQSRJHZVQQP-AWEZNQCLSA-N 0 3 242.322 3.250 20 0 BGADHN c1ccc2c(CN[C@@H]3CCCC34CC4)noc2c1 ZINC000573936068 364952038 /nfs/dbraw/zinc/95/20/38/364952038.db2.gz WCGVQSRJHZVQQP-CQSZACIVSA-N 0 3 242.322 3.250 20 0 BGADHN CC(C)N(Cc1ccno1)C1CC(C)(C)C1 ZINC000574011612 364966067 /nfs/dbraw/zinc/96/60/67/364966067.db2.gz IVPMCBDZKYZFBL-UHFFFAOYSA-N 0 3 222.332 3.074 20 0 BGADHN Cc1nc(CNC2CCC(C(C)C)CC2)[nH]c1C ZINC000574054824 364979721 /nfs/dbraw/zinc/97/97/21/364979721.db2.gz ODIJRGWJEHPENE-UHFFFAOYSA-N 0 3 249.402 3.331 20 0 BGADHN FCC1(NC/C=C/c2ccccc2)CCC1 ZINC000574082592 364983944 /nfs/dbraw/zinc/98/39/44/364983944.db2.gz RFGKAWUEEYTVAY-XBXARRHUSA-N 0 3 219.303 3.182 20 0 BGADHN FCC1(NC/C=C\c2ccccc2)CCC1 ZINC000574082596 364984017 /nfs/dbraw/zinc/98/40/17/364984017.db2.gz RFGKAWUEEYTVAY-YWEYNIOJSA-N 0 3 219.303 3.182 20 0 BGADHN C[C@@H](NCCC(C)(C)C)c1cn2ccccc2n1 ZINC000574099227 364987602 /nfs/dbraw/zinc/98/76/02/364987602.db2.gz CSUAWPCNRJZSPE-GFCCVEGCSA-N 0 3 245.370 3.421 20 0 BGADHN C[C@H](NCCC(C)(C)C)c1cn2ccccc2n1 ZINC000574099229 364987429 /nfs/dbraw/zinc/98/74/29/364987429.db2.gz CSUAWPCNRJZSPE-LBPRGKRZSA-N 0 3 245.370 3.421 20 0 BGADHN C[C@@H]1C[C@H](C)N(Cc2cnc(C(C)(C)C)nc2)C1 ZINC000574105396 364988754 /nfs/dbraw/zinc/98/87/54/364988754.db2.gz ZSKGCAJXPXGLPA-NEPJUHHUSA-N 0 3 247.386 3.004 20 0 BGADHN C[C@@H]1C[C@H](C)CN1Cc1cnc(C(C)(C)C)nc1 ZINC000574105401 364988250 /nfs/dbraw/zinc/98/82/50/364988250.db2.gz ZSKGCAJXPXGLPA-NWDGAFQWSA-N 0 3 247.386 3.004 20 0 BGADHN C[C@H]1C[C@H](C)N(Cc2cnc(C(C)(C)C)nc2)C1 ZINC000574105403 364988727 /nfs/dbraw/zinc/98/87/27/364988727.db2.gz ZSKGCAJXPXGLPA-RYUDHWBXSA-N 0 3 247.386 3.004 20 0 BGADHN C[C@@H]1C[C@@H](C)N(Cc2cnc(C(C)(C)C)nc2)C1 ZINC000574105405 364988333 /nfs/dbraw/zinc/98/83/33/364988333.db2.gz ZSKGCAJXPXGLPA-VXGBXAGGSA-N 0 3 247.386 3.004 20 0 BGADHN CC1(CN2CCC(C(F)(F)F)CC2)CC1 ZINC000574109123 364990171 /nfs/dbraw/zinc/99/01/71/364990171.db2.gz PPENQSDEUSBPBG-UHFFFAOYSA-N 0 3 221.266 3.061 20 0 BGADHN Cn1ccc(CNCC2(C)CCC(C)(C)CC2)n1 ZINC000574138441 364994567 /nfs/dbraw/zinc/99/45/67/364994567.db2.gz LOKQLXCIHMBXLF-UHFFFAOYSA-N 0 3 249.402 3.116 20 0 BGADHN CC/C=C\CCN1CCO[C@@H](C(C)(C)C)C1 ZINC000574147129 364995375 /nfs/dbraw/zinc/99/53/75/364995375.db2.gz SSSGPYBJTILHME-FMFIFOJESA-N 0 3 225.376 3.090 20 0 BGADHN CC/C=C\CCN1CCO[C@H](C(C)(C)C)C1 ZINC000574147130 364995527 /nfs/dbraw/zinc/99/55/27/364995527.db2.gz SSSGPYBJTILHME-FWWRYZNZSA-N 0 3 225.376 3.090 20 0 BGADHN CC/C=C/CCN1CCO[C@@H](C(C)(C)C)C1 ZINC000574147131 364995935 /nfs/dbraw/zinc/99/59/35/364995935.db2.gz SSSGPYBJTILHME-KTRBRXNASA-N 0 3 225.376 3.090 20 0 BGADHN CC/C=C/CCN1CCO[C@H](C(C)(C)C)C1 ZINC000574147132 364995671 /nfs/dbraw/zinc/99/56/71/364995671.db2.gz SSSGPYBJTILHME-YBJDMEARSA-N 0 3 225.376 3.090 20 0 BGADHN CC(=O)c1cccc(CN2C3CCC2CC3)c1 ZINC000574148723 364995592 /nfs/dbraw/zinc/99/55/92/364995592.db2.gz PBCCOYIYGQFJMR-UHFFFAOYSA-N 0 3 229.323 3.016 20 0 BGADHN CCC(C)(C)[C@@H](C)NCc1cn2ccccc2n1 ZINC000574152657 364996869 /nfs/dbraw/zinc/99/68/69/364996869.db2.gz KNSBCLDCOSHCEZ-GFCCVEGCSA-N 0 3 245.370 3.249 20 0 BGADHN CCC(C)(C)[C@H](C)NCc1cn2ccccc2n1 ZINC000574152658 364996601 /nfs/dbraw/zinc/99/66/01/364996601.db2.gz KNSBCLDCOSHCEZ-LBPRGKRZSA-N 0 3 245.370 3.249 20 0 BGADHN CC(C)CN1CC[C@@](F)(c2ccccc2)C1 ZINC000574175936 365005200 /nfs/dbraw/zinc/00/52/00/365005200.db2.gz ZPPQHXAZHGIYLU-AWEZNQCLSA-N 0 3 221.319 3.213 20 0 BGADHN CC(C)CN1CC[C@](F)(c2ccccc2)C1 ZINC000574175945 365005590 /nfs/dbraw/zinc/00/55/90/365005590.db2.gz ZPPQHXAZHGIYLU-CQSZACIVSA-N 0 3 221.319 3.213 20 0 BGADHN CSc1ccc2c(c1)[C@H](NCCF)CCC2 ZINC000574204479 365009573 /nfs/dbraw/zinc/00/95/73/365009573.db2.gz HYOZVMIUGZONJQ-CYBMUJFWSA-N 0 3 239.359 3.345 20 0 BGADHN CSc1ccc2c(c1)[C@@H](NCCF)CCC2 ZINC000574204480 365009863 /nfs/dbraw/zinc/00/98/63/365009863.db2.gz HYOZVMIUGZONJQ-ZDUSSCGKSA-N 0 3 239.359 3.345 20 0 BGADHN CC[C@H](N[C@@H](CC)C(C)(C)C)c1ccn(C)n1 ZINC000574214088 365011649 /nfs/dbraw/zinc/01/16/49/365011649.db2.gz DRVGQUTVCQONPX-AAEUAGOBSA-N 0 3 237.391 3.286 20 0 BGADHN CC[C@@H](N[C@H](CC)C(C)(C)C)c1ccn(C)n1 ZINC000574214091 365012573 /nfs/dbraw/zinc/01/25/73/365012573.db2.gz DRVGQUTVCQONPX-DGCLKSJQSA-N 0 3 237.391 3.286 20 0 BGADHN CC[C@@H](N[C@@H](CC)c1ccn(C)n1)C(C)(C)C ZINC000574214092 365011955 /nfs/dbraw/zinc/01/19/55/365011955.db2.gz DRVGQUTVCQONPX-WCQYABFASA-N 0 3 237.391 3.286 20 0 BGADHN CC[C@@H](N[C@@H](CC)C(C)(C)C)c1ccn(C)n1 ZINC000574214093 365012214 /nfs/dbraw/zinc/01/22/14/365012214.db2.gz DRVGQUTVCQONPX-YPMHNXCESA-N 0 3 237.391 3.286 20 0 BGADHN CC1=C[C@H](C)C[C@@H](CN2CCOC3(CCC3)C2)C1 ZINC000574245625 365018918 /nfs/dbraw/zinc/01/89/18/365018918.db2.gz BHICOCRCRLRXCF-DZGCQCFKSA-N 0 3 249.398 3.234 20 0 BGADHN CC1=C[C@@H](C)C[C@H](CN2CCOC3(CCC3)C2)C1 ZINC000574245630 365018810 /nfs/dbraw/zinc/01/88/10/365018810.db2.gz BHICOCRCRLRXCF-HIFRSBDPSA-N 0 3 249.398 3.234 20 0 BGADHN CC1=C[C@@H](C)C[C@@H](CN2CCOC3(CCC3)C2)C1 ZINC000574245632 365018456 /nfs/dbraw/zinc/01/84/56/365018456.db2.gz BHICOCRCRLRXCF-UKRRQHHQSA-N 0 3 249.398 3.234 20 0 BGADHN CC1=C[C@H](C)C[C@H](CN2CCOC3(CCC3)C2)C1 ZINC000574245634 365018836 /nfs/dbraw/zinc/01/88/36/365018836.db2.gz BHICOCRCRLRXCF-ZFWWWQNUSA-N 0 3 249.398 3.234 20 0 BGADHN CCC1(C)CN(Cc2ccnc3ccccc23)C1 ZINC000574255536 365020271 /nfs/dbraw/zinc/02/02/71/365020271.db2.gz FPAGDRNRSSVARN-UHFFFAOYSA-N 0 3 240.350 3.467 20 0 BGADHN F[C@H]1CCCN(C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000574283331 365029852 /nfs/dbraw/zinc/02/98/52/365029852.db2.gz BJBNAUUMUAFXEI-KKUMJFAQSA-N 0 3 233.330 3.224 20 0 BGADHN F[C@@H]1CCCN(C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000574283337 365029284 /nfs/dbraw/zinc/02/92/84/365029284.db2.gz BJBNAUUMUAFXEI-ZNMIVQPWSA-N 0 3 233.330 3.224 20 0 BGADHN CCc1cc(N2CC[C@@H]3CCCC[C@@H]32)ccn1 ZINC000574317480 365034718 /nfs/dbraw/zinc/03/47/18/365034718.db2.gz VVWWUBYKQPCMPK-WFASDCNBSA-N 0 3 230.355 3.413 20 0 BGADHN CCn1ccnc1[C@@H](C)N[C@@H](C)C(C)(C)CC ZINC000574403025 365054806 /nfs/dbraw/zinc/05/48/06/365054806.db2.gz ZHQCYCPYLKLBMC-NEPJUHHUSA-N 0 3 237.391 3.378 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@H](C)C(C)(C)CC ZINC000574403026 365055137 /nfs/dbraw/zinc/05/51/37/365055137.db2.gz ZHQCYCPYLKLBMC-NWDGAFQWSA-N 0 3 237.391 3.378 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@@H](C)C(C)(C)CC ZINC000574403027 365055439 /nfs/dbraw/zinc/05/54/39/365055439.db2.gz ZHQCYCPYLKLBMC-RYUDHWBXSA-N 0 3 237.391 3.378 20 0 BGADHN CCn1ccnc1[C@@H](C)N[C@H](C)C(C)(C)CC ZINC000574403028 365055541 /nfs/dbraw/zinc/05/55/41/365055541.db2.gz ZHQCYCPYLKLBMC-VXGBXAGGSA-N 0 3 237.391 3.378 20 0 BGADHN Cc1cc(C)c([C@H](C)N2CCO[C@H](C)C2)c(C)c1 ZINC000574425198 365060524 /nfs/dbraw/zinc/06/05/24/365060524.db2.gz ZYBZFBIYHTYWIW-CABCVRRESA-N 0 3 247.382 3.394 20 0 BGADHN Cc1cc(C)c([C@@H](C)N2CCO[C@H](C)C2)c(C)c1 ZINC000574425199 365059900 /nfs/dbraw/zinc/05/99/00/365059900.db2.gz ZYBZFBIYHTYWIW-HUUCEWRRSA-N 0 3 247.382 3.394 20 0 BGADHN C[C@@H]1CCCN1C/C=C/c1ccc(F)c(F)c1 ZINC000574440148 365061870 /nfs/dbraw/zinc/06/18/70/365061870.db2.gz OOZRYGPCTDEPEA-JOAKQRRISA-N 0 3 237.293 3.462 20 0 BGADHN C[C@H]1CCCN1C/C=C\c1ccc(F)c(F)c1 ZINC000574440150 365061369 /nfs/dbraw/zinc/06/13/69/365061369.db2.gz OOZRYGPCTDEPEA-MZBZXASESA-N 0 3 237.293 3.462 20 0 BGADHN C[C@H]1CCCN1C/C=C/c1ccc(F)c(F)c1 ZINC000574440151 365062331 /nfs/dbraw/zinc/06/23/31/365062331.db2.gz OOZRYGPCTDEPEA-TZNOJPMFSA-N 0 3 237.293 3.462 20 0 BGADHN C[C@@H]1CCCN1C/C=C\c1ccc(F)c(F)c1 ZINC000574440152 365062288 /nfs/dbraw/zinc/06/22/88/365062288.db2.gz OOZRYGPCTDEPEA-USEMIUTHSA-N 0 3 237.293 3.462 20 0 BGADHN Cc1ccc(CNC2(CF)CCC2)cc1C ZINC000574453403 365065449 /nfs/dbraw/zinc/06/54/49/365065449.db2.gz XHDVHNATGJPVBX-UHFFFAOYSA-N 0 3 221.319 3.285 20 0 BGADHN Cc1cc(C)c(CN2CC(C)C2)cc1C ZINC000574457995 365067576 /nfs/dbraw/zinc/06/75/76/365067576.db2.gz UIDRQDFFKDVGFD-UHFFFAOYSA-N 0 3 203.329 3.064 20 0 BGADHN CCO[C@@H]1C[C@@H]1N[C@H]1C[C@H](C)c2ccccc21 ZINC000574482333 365073072 /nfs/dbraw/zinc/07/30/72/365073072.db2.gz SVPAILDZJUBTEU-FBUXBERBSA-N 0 3 231.339 3.002 20 0 BGADHN CCO[C@@H]1C[C@@H]1N[C@@H]1C[C@H](C)c2ccccc21 ZINC000574482334 365073050 /nfs/dbraw/zinc/07/30/50/365073050.db2.gz SVPAILDZJUBTEU-OADPDTJPSA-N 0 3 231.339 3.002 20 0 BGADHN CCO[C@@H]1C[C@@H]1N[C@@H]1C[C@@H](C)c2ccccc21 ZINC000574482335 365073194 /nfs/dbraw/zinc/07/31/94/365073194.db2.gz SVPAILDZJUBTEU-QPKOPYBWSA-N 0 3 231.339 3.002 20 0 BGADHN CCO[C@@H]1C[C@@H]1N[C@H]1C[C@@H](C)c2ccccc21 ZINC000574482336 365072032 /nfs/dbraw/zinc/07/20/32/365072032.db2.gz SVPAILDZJUBTEU-SDJAHQOYSA-N 0 3 231.339 3.002 20 0 BGADHN Fc1ccc(F)c(CN[C@@H]2CCCC23CC3)c1 ZINC000574533060 365086730 /nfs/dbraw/zinc/08/67/30/365086730.db2.gz YXKDMKGBQJWRTF-CYBMUJFWSA-N 0 3 237.293 3.387 20 0 BGADHN Fc1ccc(F)c(CN[C@H]2CCCC23CC3)c1 ZINC000574533061 365086549 /nfs/dbraw/zinc/08/65/49/365086549.db2.gz YXKDMKGBQJWRTF-ZDUSSCGKSA-N 0 3 237.293 3.387 20 0 BGADHN C[C@@H]1CCCCN(Cc2ccc(Cl)cn2)C1 ZINC000574618889 365102705 /nfs/dbraw/zinc/10/27/05/365102705.db2.gz KVAOXLCEGJQEAM-LLVKDONJSA-N 0 3 238.762 3.357 20 0 BGADHN C[C@H]1CCCCN(Cc2ccc(Cl)cn2)C1 ZINC000574618890 365102458 /nfs/dbraw/zinc/10/24/58/365102458.db2.gz KVAOXLCEGJQEAM-NSHDSACASA-N 0 3 238.762 3.357 20 0 BGADHN CC(C)(C)OCCNCc1cccc2ccoc21 ZINC000574636392 344942900 /nfs/dbraw/zinc/94/29/00/344942900.db2.gz IDMAJFMZRGKCFQ-UHFFFAOYSA-N 0 3 247.338 3.338 20 0 BGADHN Cc1ccccc1OCCCN1CC=C(C)CC1 ZINC000574655577 365114764 /nfs/dbraw/zinc/11/47/64/365114764.db2.gz ZRQIMCHWPYATSO-UHFFFAOYSA-N 0 3 245.366 3.416 20 0 BGADHN C[C@H](NC[C@H]1COc2ccccc21)c1ccoc1 ZINC000574675206 365118588 /nfs/dbraw/zinc/11/85/88/365118588.db2.gz KKFFYRMZGKSLBC-AAEUAGOBSA-N 0 3 243.306 3.106 20 0 BGADHN C[C@@H](NC[C@@H]1COc2ccccc21)c1ccoc1 ZINC000574675210 365117865 /nfs/dbraw/zinc/11/78/65/365117865.db2.gz KKFFYRMZGKSLBC-DGCLKSJQSA-N 0 3 243.306 3.106 20 0 BGADHN C[C@H](NC[C@@H]1COc2ccccc21)c1ccoc1 ZINC000574675211 365117421 /nfs/dbraw/zinc/11/74/21/365117421.db2.gz KKFFYRMZGKSLBC-WCQYABFASA-N 0 3 243.306 3.106 20 0 BGADHN C[C@@H](NC[C@H]1COc2ccccc21)c1ccoc1 ZINC000574675212 365118192 /nfs/dbraw/zinc/11/81/92/365118192.db2.gz KKFFYRMZGKSLBC-YPMHNXCESA-N 0 3 243.306 3.106 20 0 BGADHN C[C@@H]1CC[C@@H](C)N(Cc2ccc3c(n2)CCC3)C1 ZINC000574776853 365143166 /nfs/dbraw/zinc/14/31/66/365143166.db2.gz WMPSEHSYOZVDOI-CHWSQXEVSA-N 0 3 244.382 3.191 20 0 BGADHN C[C@@H]1CC[C@H](C)N(Cc2ccc3c(n2)CCC3)C1 ZINC000574776854 365143523 /nfs/dbraw/zinc/14/35/23/365143523.db2.gz WMPSEHSYOZVDOI-OLZOCXBDSA-N 0 3 244.382 3.191 20 0 BGADHN C[C@@H]1CC[C@H](C)CN1Cc1ccc2c(n1)CCC2 ZINC000574776855 365143396 /nfs/dbraw/zinc/14/33/96/365143396.db2.gz WMPSEHSYOZVDOI-QWHCGFSZSA-N 0 3 244.382 3.191 20 0 BGADHN C[C@H]1CC[C@H](C)N(Cc2ccc3c(n2)CCC3)C1 ZINC000574776856 365143046 /nfs/dbraw/zinc/14/30/46/365143046.db2.gz WMPSEHSYOZVDOI-STQMWFEESA-N 0 3 244.382 3.191 20 0 BGADHN COc1ccc(CN(C)C(C)(C)C)c(F)c1 ZINC000574815828 365151704 /nfs/dbraw/zinc/15/17/04/365151704.db2.gz ILYCSLUYORAVQT-UHFFFAOYSA-N 0 3 225.307 3.065 20 0 BGADHN COCc1ccc([C@H]2CCCN2CC2(C)CC2)o1 ZINC000574820185 365151649 /nfs/dbraw/zinc/15/16/49/365151649.db2.gz BNQGOQWCYPHTLH-CYBMUJFWSA-N 0 3 249.354 3.363 20 0 BGADHN COCc1ccc([C@@H]2CCCN2CC2(C)CC2)o1 ZINC000574820191 365151827 /nfs/dbraw/zinc/15/18/27/365151827.db2.gz BNQGOQWCYPHTLH-ZDUSSCGKSA-N 0 3 249.354 3.363 20 0 BGADHN CC[C@@H]1CCCN1Cc1c(C)nsc1C ZINC000574820442 365151553 /nfs/dbraw/zinc/15/15/53/365151553.db2.gz OTQLYNHDZJVNQE-LLVKDONJSA-N 0 3 224.373 3.134 20 0 BGADHN CC[C@H]1CCCN1Cc1c(C)nsc1C ZINC000574820446 365152107 /nfs/dbraw/zinc/15/21/07/365152107.db2.gz OTQLYNHDZJVNQE-NSHDSACASA-N 0 3 224.373 3.134 20 0 BGADHN CCCN(Cc1cn2cc(C)ccc2n1)C(C)C ZINC000574820626 365153536 /nfs/dbraw/zinc/15/35/36/365153536.db2.gz QARJQHNTSYEGIF-UHFFFAOYSA-N 0 3 245.370 3.263 20 0 BGADHN Cc1ccc(CN[C@@H](C)c2cncnc2C)s1 ZINC000574822870 365153842 /nfs/dbraw/zinc/15/38/42/365153842.db2.gz OCYJWKYTEAEAEE-JTQLQIEISA-N 0 3 247.367 3.006 20 0 BGADHN Cc1ccc(CN[C@H](C)c2cncnc2C)s1 ZINC000574822873 365153709 /nfs/dbraw/zinc/15/37/09/365153709.db2.gz OCYJWKYTEAEAEE-SNVBAGLBSA-N 0 3 247.367 3.006 20 0 BGADHN Cc1ccc([O-])c(C[N@H+](CC2CCC2)C(C)C)n1 ZINC000574872074 365163965 /nfs/dbraw/zinc/16/39/65/365163965.db2.gz VZGXXUVBUFTPNW-UHFFFAOYSA-N 0 3 248.370 3.106 20 0 BGADHN Cc1ccc([O-])c(C[N@@H+](CC2CCC2)C(C)C)n1 ZINC000574872074 365163963 /nfs/dbraw/zinc/16/39/63/365163963.db2.gz VZGXXUVBUFTPNW-UHFFFAOYSA-N 0 3 248.370 3.106 20 0 BGADHN Cc1c(CN(C)CC2CCCCCC2)cnn1C ZINC000574872964 365163372 /nfs/dbraw/zinc/16/33/72/365163372.db2.gz NPBGXUPLXSVDEC-UHFFFAOYSA-N 0 3 249.402 3.131 20 0 BGADHN CC[C@H]1CCCCN1Cc1ccc2c(n1)CCC2 ZINC000574902703 346200015 /nfs/dbraw/zinc/20/00/15/346200015.db2.gz XQHXKUKJPBWDJC-HNNXBMFYSA-N 0 3 244.382 3.335 20 0 BGADHN CC[C@@H]1CCCCN1Cc1ccc2c(n1)CCC2 ZINC000574902704 346199589 /nfs/dbraw/zinc/19/95/89/346199589.db2.gz XQHXKUKJPBWDJC-OAHLLOKOSA-N 0 3 244.382 3.335 20 0 BGADHN CN(Cc1ccc(Cl)cn1)C1(C)CCCC1 ZINC000574952612 346439395 /nfs/dbraw/zinc/43/93/95/346439395.db2.gz RAKZDBWSLDXPDU-UHFFFAOYSA-N 0 3 238.762 3.500 20 0 BGADHN C[C@@H](NCCC1CC(F)(F)C1)c1cscn1 ZINC000574958644 346465906 /nfs/dbraw/zinc/46/59/06/346465906.db2.gz LHRHGWPAFNFLPD-MRVPVSSYSA-N 0 3 246.326 3.229 20 0 BGADHN C[C@H](NCCC1CC(F)(F)C1)c1cscn1 ZINC000574958645 346466412 /nfs/dbraw/zinc/46/64/12/346466412.db2.gz LHRHGWPAFNFLPD-QMMMGPOBSA-N 0 3 246.326 3.229 20 0 BGADHN CC(C)[C@H](C)N(C)Cc1ccc(Cl)cn1 ZINC000574978516 346482549 /nfs/dbraw/zinc/48/25/49/346482549.db2.gz ZOMQAQPXOLHVNJ-JTQLQIEISA-N 0 3 226.751 3.211 20 0 BGADHN CC(C)[C@@H](C)N(C)Cc1ccc(Cl)cn1 ZINC000574978517 346482516 /nfs/dbraw/zinc/48/25/16/346482516.db2.gz ZOMQAQPXOLHVNJ-SNVBAGLBSA-N 0 3 226.751 3.211 20 0 BGADHN Cc1ccc(CN(C)C(C)C)c(Cl)c1 ZINC000574995323 359530456 /nfs/dbraw/zinc/53/04/56/359530456.db2.gz NDBXKHMFTJQYAJ-UHFFFAOYSA-N 0 3 211.736 3.489 20 0 BGADHN C[C@@H](N[C@@H](C)c1cn2ccccc2n1)C(C)(C)C ZINC000575002000 361287268 /nfs/dbraw/zinc/28/72/68/361287268.db2.gz ULOMTNNWYWGSEN-NWDGAFQWSA-N 0 3 245.370 3.420 20 0 BGADHN C[C@@H](N[C@H](C)C(C)(C)C)c1cn2ccccc2n1 ZINC000575002001 361287029 /nfs/dbraw/zinc/28/70/29/361287029.db2.gz ULOMTNNWYWGSEN-VXGBXAGGSA-N 0 3 245.370 3.420 20 0 BGADHN CCN(Cc1ccn(C)c1)[C@H](C)c1cccnc1 ZINC000575027986 346482917 /nfs/dbraw/zinc/48/29/17/346482917.db2.gz MCPKGVXBDDWMMN-CYBMUJFWSA-N 0 3 243.354 3.003 20 0 BGADHN CCN(Cc1ccn(C)c1)[C@@H](C)c1cccnc1 ZINC000575027987 346483250 /nfs/dbraw/zinc/48/32/50/346483250.db2.gz MCPKGVXBDDWMMN-ZDUSSCGKSA-N 0 3 243.354 3.003 20 0 BGADHN CCCN(Cc1scnc1C)C(C)C ZINC000575069974 365187805 /nfs/dbraw/zinc/18/78/05/365187805.db2.gz NMPHCIBMNBFVNA-UHFFFAOYSA-N 0 3 212.362 3.072 20 0 BGADHN Cc1cncc(COc2cc(C)nc(C)c2C)c1 ZINC000575072280 365188963 /nfs/dbraw/zinc/18/89/63/365188963.db2.gz WUUKRYHSKGYNBY-UHFFFAOYSA-N 0 3 242.322 3.289 20 0 BGADHN CCCC[C@@H](C)N(C)Cc1cnn2ccccc12 ZINC000575089856 365196003 /nfs/dbraw/zinc/19/60/03/365196003.db2.gz ZOJTUWCSVAEYKN-CYBMUJFWSA-N 0 3 245.370 3.345 20 0 BGADHN CCCC[C@H](C)N(C)Cc1cnn2ccccc12 ZINC000575089857 365196025 /nfs/dbraw/zinc/19/60/25/365196025.db2.gz ZOJTUWCSVAEYKN-ZDUSSCGKSA-N 0 3 245.370 3.345 20 0 BGADHN Cc1cnccc1CNC(C)(C)c1cccs1 ZINC000575130542 365215538 /nfs/dbraw/zinc/21/55/38/365215538.db2.gz WGMIHVCYUYPCDA-UHFFFAOYSA-N 0 3 246.379 3.476 20 0 BGADHN Cc1nc(CNCC[C@H]2CCC[C@@H](C)C2)[nH]c1C ZINC000575138564 365220033 /nfs/dbraw/zinc/22/00/33/365220033.db2.gz FQTDNLROLXHHJH-BXUZGUMPSA-N 0 3 249.402 3.333 20 0 BGADHN Cc1nc(CNCC[C@@H]2CCC[C@H](C)C2)[nH]c1C ZINC000575138565 365219375 /nfs/dbraw/zinc/21/93/75/365219375.db2.gz FQTDNLROLXHHJH-FZMZJTMJSA-N 0 3 249.402 3.333 20 0 BGADHN Cc1nc(CNCC[C@@H]2CCC[C@@H](C)C2)[nH]c1C ZINC000575138566 365219354 /nfs/dbraw/zinc/21/93/54/365219354.db2.gz FQTDNLROLXHHJH-RISCZKNCSA-N 0 3 249.402 3.333 20 0 BGADHN Cc1nc(CNCC[C@H]2CCC[C@H](C)C2)[nH]c1C ZINC000575138567 365219576 /nfs/dbraw/zinc/21/95/76/365219576.db2.gz FQTDNLROLXHHJH-SMDDNHRTSA-N 0 3 249.402 3.333 20 0 BGADHN Cc1nc(CNC[C@@H]2CCC[C@@H](C)[C@H]2C)[nH]c1C ZINC000575138814 365219533 /nfs/dbraw/zinc/21/95/33/365219533.db2.gz NPKCCUBKAYTTBG-GYSYKLTISA-N 0 3 249.402 3.188 20 0 BGADHN Cc1nc(CNC[C@@H]2CCC[C@H](C)[C@@H]2C)[nH]c1C ZINC000575138815 365220026 /nfs/dbraw/zinc/22/00/26/365220026.db2.gz NPKCCUBKAYTTBG-MJVIPROJSA-N 0 3 249.402 3.188 20 0 BGADHN Cc1nc(CNC[C@@H]2CCC[C@@H](C)[C@@H]2C)[nH]c1C ZINC000575138816 365219419 /nfs/dbraw/zinc/21/94/19/365219419.db2.gz NPKCCUBKAYTTBG-SUNKGSAMSA-N 0 3 249.402 3.188 20 0 BGADHN Cc1nc(CNC[C@@H]2CCC[C@H](C)[C@H]2C)[nH]c1C ZINC000575138817 365219636 /nfs/dbraw/zinc/21/96/36/365219636.db2.gz NPKCCUBKAYTTBG-WDMOLILDSA-N 0 3 249.402 3.188 20 0 BGADHN CCC[C@H](NCc1cnccn1)C1CCCCC1 ZINC000575147163 365223325 /nfs/dbraw/zinc/22/33/25/365223325.db2.gz XTAXYYAOPYSGOY-HNNXBMFYSA-N 0 3 247.386 3.315 20 0 BGADHN CCC[C@@H](NCc1cnccn1)C1CCCCC1 ZINC000575147164 365222970 /nfs/dbraw/zinc/22/29/70/365222970.db2.gz XTAXYYAOPYSGOY-OAHLLOKOSA-N 0 3 247.386 3.315 20 0 BGADHN C[C@@H](NCCCC(C)(C)C)c1cc2n(n1)CCC2 ZINC000575151065 365222560 /nfs/dbraw/zinc/22/25/60/365222560.db2.gz HGXAFJIUPLMCAT-GFCCVEGCSA-N 0 3 249.402 3.306 20 0 BGADHN C[C@H](NCCCC(C)(C)C)c1cc2n(n1)CCC2 ZINC000575151066 365222880 /nfs/dbraw/zinc/22/28/80/365222880.db2.gz HGXAFJIUPLMCAT-LBPRGKRZSA-N 0 3 249.402 3.306 20 0 BGADHN c1sc(CN[C@@H]2CCCC23CC3)nc1C1CC1 ZINC000575331943 365294155 /nfs/dbraw/zinc/29/41/55/365294155.db2.gz ISLQFWALGXQCEI-GFCCVEGCSA-N 0 3 248.395 3.443 20 0 BGADHN c1sc(CN[C@H]2CCCC23CC3)nc1C1CC1 ZINC000575331944 365293470 /nfs/dbraw/zinc/29/34/70/365293470.db2.gz ISLQFWALGXQCEI-LBPRGKRZSA-N 0 3 248.395 3.443 20 0 BGADHN C[C@@H]1CCCCCN1Cc1ccc(Cl)cn1 ZINC000575348625 365296245 /nfs/dbraw/zinc/29/62/45/365296245.db2.gz VYJKJYWKGZBPKH-LLVKDONJSA-N 0 3 238.762 3.500 20 0 BGADHN C[C@H]1CCCCCN1Cc1ccc(Cl)cn1 ZINC000575348626 365297049 /nfs/dbraw/zinc/29/70/49/365297049.db2.gz VYJKJYWKGZBPKH-NSHDSACASA-N 0 3 238.762 3.500 20 0 BGADHN Cc1cc(CN2CC(C3CCC3)C2)ccc1F ZINC000575367861 365303412 /nfs/dbraw/zinc/30/34/12/365303412.db2.gz JIBXQFHHORVHAE-UHFFFAOYSA-N 0 3 233.330 3.366 20 0 BGADHN CCc1ccc(CN2CC[C@@H]2C2CC2)s1 ZINC000575478180 365328101 /nfs/dbraw/zinc/32/81/01/365328101.db2.gz XYIUQHBVBXVZST-CYBMUJFWSA-N 0 3 221.369 3.295 20 0 BGADHN CCc1ccc(CN2CC[C@H]2C2CC2)s1 ZINC000575478181 365327430 /nfs/dbraw/zinc/32/74/30/365327430.db2.gz XYIUQHBVBXVZST-ZDUSSCGKSA-N 0 3 221.369 3.295 20 0 BGADHN Oc1ccc2c(c1)[C@@H](NCc1ccccc1)CC2 ZINC000575484921 387253236 /nfs/dbraw/zinc/25/32/36/387253236.db2.gz JZEHXENQFONNNK-INIZCTEOSA-N 0 3 239.318 3.169 20 0 BGADHN Oc1ccc2c(c1)[C@H](NCc1ccccc1)CC2 ZINC000575484926 387251825 /nfs/dbraw/zinc/25/18/25/387251825.db2.gz JZEHXENQFONNNK-MRXNPFEDSA-N 0 3 239.318 3.169 20 0 BGADHN CCC1(CC)CN(Cc2ccc3nc[nH]c3c2)C1 ZINC000575769495 388465413 /nfs/dbraw/zinc/46/54/13/388465413.db2.gz NZSIHFPUXURHFO-UHFFFAOYSA-N 0 3 243.354 3.185 20 0 BGADHN CCC1(CC)CN(Cc2ccc3[nH]cnc3c2)C1 ZINC000575769495 388465411 /nfs/dbraw/zinc/46/54/11/388465411.db2.gz NZSIHFPUXURHFO-UHFFFAOYSA-N 0 3 243.354 3.185 20 0 BGADHN CC[C@@H]1CC[C@H](C)N1Cc1cnn(C(C)(C)C)c1 ZINC000575788662 365361443 /nfs/dbraw/zinc/36/14/43/365361443.db2.gz RSMBEHQLTBHQJU-GXTWGEPZSA-N 0 3 249.402 3.401 20 0 BGADHN CC[C@H]1CC[C@H](C)N1Cc1cnn(C(C)(C)C)c1 ZINC000575788664 365361492 /nfs/dbraw/zinc/36/14/92/365361492.db2.gz RSMBEHQLTBHQJU-JSGCOSHPSA-N 0 3 249.402 3.401 20 0 BGADHN CC[C@H]1CC[C@@H](C)N1Cc1cnn(C(C)(C)C)c1 ZINC000575788665 365362522 /nfs/dbraw/zinc/36/25/22/365362522.db2.gz RSMBEHQLTBHQJU-OCCSQVGLSA-N 0 3 249.402 3.401 20 0 BGADHN CC[C@@H]1CC[C@@H](C)N1Cc1cnn(C(C)(C)C)c1 ZINC000575788666 365361999 /nfs/dbraw/zinc/36/19/99/365361999.db2.gz RSMBEHQLTBHQJU-TZMCWYRMSA-N 0 3 249.402 3.401 20 0 BGADHN CC[C@@H]1CCCCCN1Cc1snnc1C ZINC000575806032 365369747 /nfs/dbraw/zinc/36/97/47/365369747.db2.gz QHDOEGDICLIPNP-LLVKDONJSA-N 0 3 239.388 3.001 20 0 BGADHN CC[C@H]1CCCCCN1Cc1snnc1C ZINC000575806035 365369773 /nfs/dbraw/zinc/36/97/73/365369773.db2.gz QHDOEGDICLIPNP-NSHDSACASA-N 0 3 239.388 3.001 20 0 BGADHN C[C@@H](NCC(C)(C)c1ccccn1)c1ccoc1 ZINC000575835606 365378043 /nfs/dbraw/zinc/37/80/43/365378043.db2.gz OWUOVWQJBYQFBF-GFCCVEGCSA-N 0 3 244.338 3.303 20 0 BGADHN C[C@H](NCC(C)(C)c1ccccn1)c1ccoc1 ZINC000575835607 365378367 /nfs/dbraw/zinc/37/83/67/365378367.db2.gz OWUOVWQJBYQFBF-LBPRGKRZSA-N 0 3 244.338 3.303 20 0 BGADHN Cc1cc(CN2CC(C3CCC3)C2)cc(C)c1O ZINC000575837955 365379479 /nfs/dbraw/zinc/37/94/79/365379479.db2.gz UWIRNDGXIDPZDC-UHFFFAOYSA-N 0 3 245.366 3.241 20 0 BGADHN CC(C)(C)CCNCc1noc2ccccc12 ZINC000575882483 365405214 /nfs/dbraw/zinc/40/52/14/365405214.db2.gz SUBWWGNJXNMBHC-UHFFFAOYSA-N 0 3 232.327 3.354 20 0 BGADHN CN(Cc1ccnn1C1CCCC1)C(C)(C)C ZINC000575923833 365416662 /nfs/dbraw/zinc/41/66/62/365416662.db2.gz LZTKFKUPWZAGQC-UHFFFAOYSA-N 0 3 235.375 3.229 20 0 BGADHN CC1=CC[C@@H](NCc2cnc(C3CC3)o2)CC1 ZINC000575953226 365424292 /nfs/dbraw/zinc/42/42/92/365424292.db2.gz FLYVRZJBBLDTAA-GFCCVEGCSA-N 0 3 232.327 3.140 20 0 BGADHN CC1=CC[C@H](NCc2cnc(C3CC3)o2)CC1 ZINC000575953227 365424836 /nfs/dbraw/zinc/42/48/36/365424836.db2.gz FLYVRZJBBLDTAA-LBPRGKRZSA-N 0 3 232.327 3.140 20 0 BGADHN CC(C)(C)CCCNCc1ccncc1F ZINC000575985110 365435514 /nfs/dbraw/zinc/43/55/14/365435514.db2.gz FNENCKHBRFISIE-UHFFFAOYSA-N 0 3 224.323 3.137 20 0 BGADHN C[C@@H](CCc1ccccc1)N1CCC[C@@H]1CF ZINC000576006767 365447045 /nfs/dbraw/zinc/44/70/45/365447045.db2.gz QIWBESBPQXUYAR-DZGCQCFKSA-N 0 3 235.346 3.442 20 0 BGADHN C[C@H](CCc1ccccc1)N1CCC[C@H]1CF ZINC000576006768 365446900 /nfs/dbraw/zinc/44/69/00/365446900.db2.gz QIWBESBPQXUYAR-HIFRSBDPSA-N 0 3 235.346 3.442 20 0 BGADHN C[C@H](CCc1ccccc1)N1CCC[C@@H]1CF ZINC000576006769 365446482 /nfs/dbraw/zinc/44/64/82/365446482.db2.gz QIWBESBPQXUYAR-UKRRQHHQSA-N 0 3 235.346 3.442 20 0 BGADHN C[C@@H](CCc1ccccc1)N1CCC[C@H]1CF ZINC000576006770 365446936 /nfs/dbraw/zinc/44/69/36/365446936.db2.gz QIWBESBPQXUYAR-ZFWWWQNUSA-N 0 3 235.346 3.442 20 0 BGADHN c1sc(CN[C@@H]2CCC[C@H]3C[C@H]32)nc1C1CC1 ZINC000576009918 365448119 /nfs/dbraw/zinc/44/81/19/365448119.db2.gz LIGYTXRRGNELPO-QJPTWQEYSA-N 0 3 248.395 3.299 20 0 BGADHN c1sc(CN[C@H]2CCC[C@H]3C[C@H]32)nc1C1CC1 ZINC000576009919 365448736 /nfs/dbraw/zinc/44/87/36/365448736.db2.gz LIGYTXRRGNELPO-TUAOUCFPSA-N 0 3 248.395 3.299 20 0 BGADHN CC(C)(C)C1CN(Cc2ccc3[nH]cnc3c2)C1 ZINC000576086903 365477814 /nfs/dbraw/zinc/47/78/14/365477814.db2.gz XBWYPUKFPJEVQQ-UHFFFAOYSA-N 0 3 243.354 3.041 20 0 BGADHN CC(C)CC(CC(C)C)NCc1cnccn1 ZINC000576123189 365493991 /nfs/dbraw/zinc/49/39/91/365493991.db2.gz QHKVXNRQVISCFH-UHFFFAOYSA-N 0 3 235.375 3.027 20 0 BGADHN Cc1ccc(CN2CCC(F)(F)[C@H](C)C2)cc1 ZINC000576150798 365501507 /nfs/dbraw/zinc/50/15/07/365501507.db2.gz JWPLMTHEPVCIPO-GFCCVEGCSA-N 0 3 239.309 3.472 20 0 BGADHN Cc1ccc(CN2CCC(F)(F)[C@@H](C)C2)cc1 ZINC000576150803 365501809 /nfs/dbraw/zinc/50/18/09/365501809.db2.gz JWPLMTHEPVCIPO-LBPRGKRZSA-N 0 3 239.309 3.472 20 0 BGADHN Cc1noc(C)c1COc1cc(C)nc(C)c1C ZINC000576157466 365503401 /nfs/dbraw/zinc/50/34/01/365503401.db2.gz WGVGKJIOZCTJIB-UHFFFAOYSA-N 0 3 246.310 3.191 20 0 BGADHN CC[C@@H]1CCCN1Cc1ccc(OC)cc1F ZINC000576165824 365507163 /nfs/dbraw/zinc/50/71/63/365507163.db2.gz VLMPICOFIPDIHS-GFCCVEGCSA-N 0 3 237.318 3.209 20 0 BGADHN CC[C@H]1CCCN1Cc1ccc(OC)cc1F ZINC000576165825 365507529 /nfs/dbraw/zinc/50/75/29/365507529.db2.gz VLMPICOFIPDIHS-LBPRGKRZSA-N 0 3 237.318 3.209 20 0 BGADHN CCC[C@@H](NCc1ncccc1F)C1CCC1 ZINC000576198674 365519189 /nfs/dbraw/zinc/51/91/89/365519189.db2.gz CNRCTHPEOILTCO-CYBMUJFWSA-N 0 3 236.334 3.279 20 0 BGADHN CCC[C@H](NCc1ncccc1F)C1CCC1 ZINC000576198675 365519097 /nfs/dbraw/zinc/51/90/97/365519097.db2.gz CNRCTHPEOILTCO-ZDUSSCGKSA-N 0 3 236.334 3.279 20 0 BGADHN Cc1nsc(C)c1CN1CCCC1(C)C ZINC000576237616 365533848 /nfs/dbraw/zinc/53/38/48/365533848.db2.gz DHFOONTZSUMXTI-UHFFFAOYSA-N 0 3 224.373 3.134 20 0 BGADHN CC(C)C[C@@H]1C[C@H]1NCc1ccc2c(n1)CCC2 ZINC000576243898 365536442 /nfs/dbraw/zinc/53/64/42/365536442.db2.gz ONTLCCSXCPUTGX-CZUORRHYSA-N 0 3 244.382 3.095 20 0 BGADHN CC(C)n1ccc(CNC2CC(C(C)(C)C)C2)n1 ZINC000576244551 343725735 /nfs/dbraw/zinc/72/57/35/343725735.db2.gz AARFSTRJINNWTE-UHFFFAOYSA-N 0 3 249.402 3.378 20 0 BGADHN CCCC[C@@H](CCC)NCc1nc(C)c(C)[nH]1 ZINC000576292105 365555145 /nfs/dbraw/zinc/55/51/45/365555145.db2.gz BVFGJTWNSZEPHF-CYBMUJFWSA-N 0 3 237.391 3.475 20 0 BGADHN CCCC[C@H](CCC)NCc1nc(C)c(C)[nH]1 ZINC000576292106 365555377 /nfs/dbraw/zinc/55/53/77/365555377.db2.gz BVFGJTWNSZEPHF-ZDUSSCGKSA-N 0 3 237.391 3.475 20 0 BGADHN Cc1nc(CN[C@H]2C[C@H]2C2CCCCC2)[nH]c1C ZINC000576292166 365555264 /nfs/dbraw/zinc/55/52/64/365555264.db2.gz DXQQGBBXSRGGNZ-KBPBESRZSA-N 0 3 247.386 3.085 20 0 BGADHN Cc1nc(CN[C@H]2C[C@@H]2C2CCCCC2)[nH]c1C ZINC000576292167 365555005 /nfs/dbraw/zinc/55/50/05/365555005.db2.gz DXQQGBBXSRGGNZ-KGLIPLIRSA-N 0 3 247.386 3.085 20 0 BGADHN Cc1nc(CN[C@@H]2C[C@H]2C2CCCCC2)[nH]c1C ZINC000576292168 365555199 /nfs/dbraw/zinc/55/51/99/365555199.db2.gz DXQQGBBXSRGGNZ-UONOGXRCSA-N 0 3 247.386 3.085 20 0 BGADHN Cc1nc(CN[C@@H]2C[C@@H]2C2CCCCC2)[nH]c1C ZINC000576292169 365555217 /nfs/dbraw/zinc/55/52/17/365555217.db2.gz DXQQGBBXSRGGNZ-ZIAGYGMSSA-N 0 3 247.386 3.085 20 0 BGADHN CC(=O)c1cccc(CN(C)C(C)(C)C)c1 ZINC000576343511 365570522 /nfs/dbraw/zinc/57/05/22/365570522.db2.gz ULHLNQOSMRPDOE-UHFFFAOYSA-N 0 3 219.328 3.120 20 0 BGADHN CCc1cccc(CN[C@H]2CCC[C@H]2F)c1 ZINC000576350672 365573640 /nfs/dbraw/zinc/57/36/40/365573640.db2.gz OHRKAZQPTNCCPV-KGLIPLIRSA-N 0 3 221.319 3.229 20 0 BGADHN CN(Cc1cccc(F)c1)CC1(C)CC1 ZINC000576413136 365591122 /nfs/dbraw/zinc/59/11/22/365591122.db2.gz YXWLSPJUUFMAIV-UHFFFAOYSA-N 0 3 207.292 3.058 20 0 BGADHN Cc1cc(COc2ccccc2CN)c(C)s1 ZINC000576457375 365599545 /nfs/dbraw/zinc/59/95/45/365599545.db2.gz HHMGCIYNVIEEDK-UHFFFAOYSA-N 0 3 247.363 3.403 20 0 BGADHN C[C@@H](CN1CCC[C@@H](F)C1)c1ccccc1 ZINC000576472932 365605924 /nfs/dbraw/zinc/60/59/24/365605924.db2.gz LGUHYOORHMGUKX-GXTWGEPZSA-N 0 3 221.319 3.224 20 0 BGADHN C[C@@H](CN1CCC[C@H](F)C1)c1ccccc1 ZINC000576472934 365606555 /nfs/dbraw/zinc/60/65/55/365606555.db2.gz LGUHYOORHMGUKX-JSGCOSHPSA-N 0 3 221.319 3.224 20 0 BGADHN C[C@H](CN1CCC[C@H](F)C1)c1ccccc1 ZINC000576472935 365606628 /nfs/dbraw/zinc/60/66/28/365606628.db2.gz LGUHYOORHMGUKX-OCCSQVGLSA-N 0 3 221.319 3.224 20 0 BGADHN C[C@H](CN1CCC[C@@H](F)C1)c1ccccc1 ZINC000576472936 365605542 /nfs/dbraw/zinc/60/55/42/365605542.db2.gz LGUHYOORHMGUKX-TZMCWYRMSA-N 0 3 221.319 3.224 20 0 BGADHN CC1(CNCc2ncoc2-c2ccccc2)CC1 ZINC000576474814 343751579 /nfs/dbraw/zinc/75/15/79/343751579.db2.gz AETYIMFLNOATHX-UHFFFAOYSA-N 0 3 242.322 3.231 20 0 BGADHN CC[C@@H]1C[C@H]1CN[C@H](C)c1cn2ccccc2n1 ZINC000576478942 365607185 /nfs/dbraw/zinc/60/71/85/365607185.db2.gz HYSJMRZMWRYTDG-UPJWGTAASA-N 0 3 243.354 3.031 20 0 BGADHN CC[C@@H]1C[C@H]1CN[C@@H](C)c1cn2ccccc2n1 ZINC000576478943 365607610 /nfs/dbraw/zinc/60/76/10/365607610.db2.gz HYSJMRZMWRYTDG-XQQFMLRXSA-N 0 3 243.354 3.031 20 0 BGADHN CC1(C)CC(NCc2noc3ccccc32)C1 ZINC000576478980 365608003 /nfs/dbraw/zinc/60/80/03/365608003.db2.gz JDADDKDKBKFDGS-UHFFFAOYSA-N 0 3 230.311 3.106 20 0 BGADHN CC(C)n1ccc(CN[C@H]2CC[C@@H]2C(C)(C)C)n1 ZINC000576489520 365609897 /nfs/dbraw/zinc/60/98/97/365609897.db2.gz HJXRYZHLYYGUEU-KBPBESRZSA-N 0 3 249.402 3.378 20 0 BGADHN CC(C)n1ccc(CN[C@H]2CC[C@H]2C(C)(C)C)n1 ZINC000576489524 365610488 /nfs/dbraw/zinc/61/04/88/365610488.db2.gz HJXRYZHLYYGUEU-KGLIPLIRSA-N 0 3 249.402 3.378 20 0 BGADHN CC(C)n1ccc(CN[C@@H]2CC[C@@H]2C(C)(C)C)n1 ZINC000576489526 365610982 /nfs/dbraw/zinc/61/09/82/365610982.db2.gz HJXRYZHLYYGUEU-UONOGXRCSA-N 0 3 249.402 3.378 20 0 BGADHN CC(C)n1ccc(CN[C@@H]2CC[C@H]2C(C)(C)C)n1 ZINC000576489528 365610993 /nfs/dbraw/zinc/61/09/93/365610993.db2.gz HJXRYZHLYYGUEU-ZIAGYGMSSA-N 0 3 249.402 3.378 20 0 BGADHN Cc1nsc(C)c1CN1CCC(C)=C(C)C1 ZINC000576527391 365619084 /nfs/dbraw/zinc/61/90/84/365619084.db2.gz ZZPBWCQFGCASED-UHFFFAOYSA-N 0 3 236.384 3.302 20 0 BGADHN Cc1cccc(CN2CCC2(C)C)c1F ZINC000576547080 365623537 /nfs/dbraw/zinc/62/35/37/365623537.db2.gz KFGHMLJOMJXITM-UHFFFAOYSA-N 0 3 207.292 3.118 20 0 BGADHN Fc1cccnc1CNC(C1CCC1)C1CCC1 ZINC000576566767 365626265 /nfs/dbraw/zinc/62/62/65/365626265.db2.gz LGVFOSDYPLKOOY-UHFFFAOYSA-N 0 3 248.345 3.279 20 0 BGADHN CN(Cc1ccc(Cl)cn1)C1CCCCC1 ZINC000576572253 365627696 /nfs/dbraw/zinc/62/76/96/365627696.db2.gz XUADFIGWWCPHAA-UHFFFAOYSA-N 0 3 238.762 3.500 20 0 BGADHN Cc1nc(CN[C@H]2CCC[C@H](C)CC2)[nH]c1C ZINC000576598901 365635931 /nfs/dbraw/zinc/63/59/31/365635931.db2.gz DIPADAKPEKHZOH-GWCFXTLKSA-N 0 3 235.375 3.085 20 0 BGADHN Cc1nc(CN[C@@H]2CCC[C@H](C)CC2)[nH]c1C ZINC000576598905 365635814 /nfs/dbraw/zinc/63/58/14/365635814.db2.gz DIPADAKPEKHZOH-GXFFZTMASA-N 0 3 235.375 3.085 20 0 BGADHN Cc1nc(CN[C@H]2CCC[C@@H](C)CC2)[nH]c1C ZINC000576598907 365636337 /nfs/dbraw/zinc/63/63/37/365636337.db2.gz DIPADAKPEKHZOH-MFKMUULPSA-N 0 3 235.375 3.085 20 0 BGADHN Cc1nc(CN[C@@H]2CCC[C@@H](C)CC2)[nH]c1C ZINC000576598908 365636084 /nfs/dbraw/zinc/63/60/84/365636084.db2.gz DIPADAKPEKHZOH-ZWNOBZJWSA-N 0 3 235.375 3.085 20 0 BGADHN CCCN(Cc1cn2c(cccc2C)n1)C(C)C ZINC000576646595 365648973 /nfs/dbraw/zinc/64/89/73/365648973.db2.gz FOIHFQGIUJXZBB-UHFFFAOYSA-N 0 3 245.370 3.263 20 0 BGADHN Cc1nc(CN[C@@H]2CCCC(C)(C)C2)[nH]c1C ZINC000576649705 365650713 /nfs/dbraw/zinc/65/07/13/365650713.db2.gz PQNYIXZXEZJUCM-GFCCVEGCSA-N 0 3 235.375 3.085 20 0 BGADHN Cc1nc(CN[C@H]2CCCC(C)(C)C2)[nH]c1C ZINC000576649708 365651049 /nfs/dbraw/zinc/65/10/49/365651049.db2.gz PQNYIXZXEZJUCM-LBPRGKRZSA-N 0 3 235.375 3.085 20 0 BGADHN CC(C)n1ccc(CN[C@@H]2CC(C)(C)C[C@@H]2C)n1 ZINC000576655467 365652384 /nfs/dbraw/zinc/65/23/84/365652384.db2.gz BHCPWJNRMMEYGN-GXTWGEPZSA-N 0 3 249.402 3.378 20 0 BGADHN CC(C)n1ccc(CN[C@H]2CC(C)(C)C[C@@H]2C)n1 ZINC000576655468 365652450 /nfs/dbraw/zinc/65/24/50/365652450.db2.gz BHCPWJNRMMEYGN-JSGCOSHPSA-N 0 3 249.402 3.378 20 0 BGADHN CC(C)n1ccc(CN[C@H]2CC(C)(C)C[C@H]2C)n1 ZINC000576655469 365652208 /nfs/dbraw/zinc/65/22/08/365652208.db2.gz BHCPWJNRMMEYGN-OCCSQVGLSA-N 0 3 249.402 3.378 20 0 BGADHN CC(C)n1ccc(CN[C@@H]2CC(C)(C)C[C@H]2C)n1 ZINC000576655470 365652654 /nfs/dbraw/zinc/65/26/54/365652654.db2.gz BHCPWJNRMMEYGN-TZMCWYRMSA-N 0 3 249.402 3.378 20 0 BGADHN CC[C@@H]1CC[C@@H]1N[C@H]1c2ccccc2O[C@@H]1C ZINC000576670304 365654033 /nfs/dbraw/zinc/65/40/33/365654033.db2.gz OBKPQZDAWLXVKK-UQFNBPPOSA-N 0 3 231.339 3.287 20 0 BGADHN CC[C@@H]1CC[C@@H]1N[C@@H]1c2ccccc2O[C@H]1C ZINC000576670311 365653319 /nfs/dbraw/zinc/65/33/19/365653319.db2.gz OBKPQZDAWLXVKK-WJNVRWDZSA-N 0 3 231.339 3.287 20 0 BGADHN CC[C@@H]1CC[C@@H]1N[C@H]1c2ccccc2O[C@H]1C ZINC000576670312 365653794 /nfs/dbraw/zinc/65/37/94/365653794.db2.gz OBKPQZDAWLXVKK-YODMDTAWSA-N 0 3 231.339 3.287 20 0 BGADHN CC[C@@H]1CC[C@@H]1N[C@@H]1c2ccccc2O[C@@H]1C ZINC000576670313 365653305 /nfs/dbraw/zinc/65/33/05/365653305.db2.gz OBKPQZDAWLXVKK-ZSEWYUTFSA-N 0 3 231.339 3.287 20 0 BGADHN Cc1cc(F)c(CNCCCF)c(Cl)c1 ZINC000576682233 365655495 /nfs/dbraw/zinc/65/54/95/365655495.db2.gz PEUFHEMFHNRRIQ-UHFFFAOYSA-N 0 3 233.689 3.237 20 0 BGADHN CCCOc1ccc(CN[C@H]2CC23CC3)cc1 ZINC000576695689 365659822 /nfs/dbraw/zinc/65/98/22/365659822.db2.gz YINNDNATEVWNMB-AWEZNQCLSA-N 0 3 231.339 3.118 20 0 BGADHN CCCOc1ccc(CN[C@@H]2CC23CC3)cc1 ZINC000576695690 365659527 /nfs/dbraw/zinc/65/95/27/365659527.db2.gz YINNDNATEVWNMB-CQSZACIVSA-N 0 3 231.339 3.118 20 0 BGADHN CCO[C@@H]1C[C@@H]1N[C@H]1C[C@H](C)c2c1cccc2C ZINC000576695962 365659206 /nfs/dbraw/zinc/65/92/06/365659206.db2.gz MTWVITCHMRIKFG-CYUUQNCZSA-N 0 3 245.366 3.310 20 0 BGADHN CCO[C@@H]1C[C@@H]1N[C@@H]1C[C@H](C)c2c1cccc2C ZINC000576695963 365659239 /nfs/dbraw/zinc/65/92/39/365659239.db2.gz MTWVITCHMRIKFG-PMOUVXMZSA-N 0 3 245.366 3.310 20 0 BGADHN CCO[C@@H]1C[C@@H]1N[C@@H]1C[C@@H](C)c2c1cccc2C ZINC000576695964 365660284 /nfs/dbraw/zinc/66/02/84/365660284.db2.gz MTWVITCHMRIKFG-REBRKWNGSA-N 0 3 245.366 3.310 20 0 BGADHN CCO[C@@H]1C[C@@H]1N[C@H]1C[C@@H](C)c2c1cccc2C ZINC000576695965 365660120 /nfs/dbraw/zinc/66/01/20/365660120.db2.gz MTWVITCHMRIKFG-UQOMUDLDSA-N 0 3 245.366 3.310 20 0 BGADHN CCc1cc(CN[C@@H]2CCCC23CCC3)on1 ZINC000576697540 365659965 /nfs/dbraw/zinc/65/99/65/365659965.db2.gz LTXJFFNCGZJJBP-CYBMUJFWSA-N 0 3 234.343 3.049 20 0 BGADHN CCc1cc(CN[C@H]2CCCC23CCC3)on1 ZINC000576697541 365660213 /nfs/dbraw/zinc/66/02/13/365660213.db2.gz LTXJFFNCGZJJBP-ZDUSSCGKSA-N 0 3 234.343 3.049 20 0 BGADHN CC(C)C[C@@H](C)C[NH2+]Cc1ccc([O-])c(F)c1 ZINC000576742537 365674262 /nfs/dbraw/zinc/67/42/62/365674262.db2.gz SVNNWXLLLKSSCS-LLVKDONJSA-N 0 3 239.334 3.303 20 0 BGADHN CC(C)C[C@H](C)C[NH2+]Cc1ccc([O-])c(F)c1 ZINC000576742538 365673636 /nfs/dbraw/zinc/67/36/36/365673636.db2.gz SVNNWXLLLKSSCS-NSHDSACASA-N 0 3 239.334 3.303 20 0 BGADHN COc1ccc(CN(C)[C@H](C)C(C)C)c(F)c1 ZINC000576759856 365679818 /nfs/dbraw/zinc/67/98/18/365679818.db2.gz DTHRTEWJELTRNS-LLVKDONJSA-N 0 3 239.334 3.311 20 0 BGADHN COc1ccc(CN(C)[C@@H](C)C(C)C)c(F)c1 ZINC000576759857 365678841 /nfs/dbraw/zinc/67/88/41/365678841.db2.gz DTHRTEWJELTRNS-NSHDSACASA-N 0 3 239.334 3.311 20 0 BGADHN Cc1ccc2c(c1)CCN(CCCCCF)C2 ZINC000576774119 365683893 /nfs/dbraw/zinc/68/38/93/365683893.db2.gz WYCQKAZWEMFWTB-UHFFFAOYSA-N 0 3 235.346 3.493 20 0 BGADHN FCCCN[C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000576788314 365684703 /nfs/dbraw/zinc/68/47/03/365684703.db2.gz ZIZGYMLMNXPPRO-SECBINFHSA-N 0 3 247.235 3.040 20 0 BGADHN FCCCN[C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000576788316 365685566 /nfs/dbraw/zinc/68/55/66/365685566.db2.gz ZIZGYMLMNXPPRO-VIFPVBQESA-N 0 3 247.235 3.040 20 0 BGADHN C[C@@H](c1cccc(F)c1)N1[C@H](C)C[C@@H]1C ZINC000576800178 365688214 /nfs/dbraw/zinc/68/82/14/365688214.db2.gz DLLSPSCCIQYOCE-AXFHLTTASA-N 0 3 207.292 3.369 20 0 BGADHN C[C@H](c1cccc(F)c1)N1[C@H](C)C[C@H]1C ZINC000576800181 365688275 /nfs/dbraw/zinc/68/82/75/365688275.db2.gz DLLSPSCCIQYOCE-GMTAPVOTSA-N 0 3 207.292 3.369 20 0 BGADHN C[C@@H](c1cccc(F)c1)N1[C@H](C)C[C@H]1C ZINC000576800182 365688896 /nfs/dbraw/zinc/68/88/96/365688896.db2.gz DLLSPSCCIQYOCE-MXWKQRLJSA-N 0 3 207.292 3.369 20 0 BGADHN C[C@H](c1cccc(F)c1)N1[C@H](C)C[C@@H]1C ZINC000576800183 365688126 /nfs/dbraw/zinc/68/81/26/365688126.db2.gz DLLSPSCCIQYOCE-OUAUKWLOSA-N 0 3 207.292 3.369 20 0 BGADHN c1nc(C2CC2)sc1CN[C@@H]1CC12CCCC2 ZINC000576806725 365690078 /nfs/dbraw/zinc/69/00/78/365690078.db2.gz RBAKYTIJERPOID-GFCCVEGCSA-N 0 3 248.395 3.443 20 0 BGADHN c1nc(C2CC2)sc1CN[C@H]1CC12CCCC2 ZINC000576806726 365690163 /nfs/dbraw/zinc/69/01/63/365690163.db2.gz RBAKYTIJERPOID-LBPRGKRZSA-N 0 3 248.395 3.443 20 0 BGADHN CO[C@@H](C)[C@H](C)NCc1ccc(C)cc1Cl ZINC000576829503 365697450 /nfs/dbraw/zinc/69/74/50/365697450.db2.gz CNUCTNTYZJMJPX-QWRGUYRKSA-N 0 3 241.762 3.161 20 0 BGADHN CO[C@H](C)[C@H](C)NCc1ccc(C)cc1Cl ZINC000576829504 365697110 /nfs/dbraw/zinc/69/71/10/365697110.db2.gz CNUCTNTYZJMJPX-WDEREUQCSA-N 0 3 241.762 3.161 20 0 BGADHN CCc1cnc(CN2CC[C@@H]3CCCC[C@@H]32)o1 ZINC000576870088 365709048 /nfs/dbraw/zinc/70/90/48/365709048.db2.gz LMOQMRLCSHSOMX-AAEUAGOBSA-N 0 3 234.343 3.002 20 0 BGADHN Cc1nc(COc2cc(C)nc(C)c2C)oc1C ZINC000576873718 365709797 /nfs/dbraw/zinc/70/97/97/365709797.db2.gz ZBUKNBMVMCRPJB-UHFFFAOYSA-N 0 3 246.310 3.191 20 0 BGADHN CN1CCN([C@H]2C=CCCC2)CC12CCCCC2 ZINC000576884955 365714127 /nfs/dbraw/zinc/71/41/27/365714127.db2.gz LNJCYIFUYICKIN-HNNXBMFYSA-N 0 3 248.414 3.045 20 0 BGADHN CN1CCN([C@@H]2C=CCCC2)CC12CCCCC2 ZINC000576884958 365714975 /nfs/dbraw/zinc/71/49/75/365714975.db2.gz LNJCYIFUYICKIN-OAHLLOKOSA-N 0 3 248.414 3.045 20 0 BGADHN Cc1cc(CN2CC3(C2)CCCC3)cc(C)c1O ZINC000576921733 365721059 /nfs/dbraw/zinc/72/10/59/365721059.db2.gz CFSKQUGNXTZOPF-UHFFFAOYSA-N 0 3 245.366 3.385 20 0 BGADHN CC(C)CC[C@@H]1CCCCN1Cc1cnccn1 ZINC000576952432 365729720 /nfs/dbraw/zinc/72/97/20/365729720.db2.gz WRZOEAQPLXKBKN-HNNXBMFYSA-N 0 3 247.386 3.267 20 0 BGADHN CC(C)CC[C@H]1CCCCN1Cc1cnccn1 ZINC000576952433 365729225 /nfs/dbraw/zinc/72/92/25/365729225.db2.gz WRZOEAQPLXKBKN-OAHLLOKOSA-N 0 3 247.386 3.267 20 0 BGADHN Cc1cc(F)ccc1CN1CC(C2CCC2)C1 ZINC000576983647 365743170 /nfs/dbraw/zinc/74/31/70/365743170.db2.gz FFECZOKEZADUAP-UHFFFAOYSA-N 0 3 233.330 3.366 20 0 BGADHN Cc1ccsc1CNC1(CF)CCC1 ZINC000576988702 365746208 /nfs/dbraw/zinc/74/62/08/365746208.db2.gz BLGXFSBAALSXMB-UHFFFAOYSA-N 0 3 213.321 3.038 20 0 BGADHN C[C@@H](CN[C@@H]1CCn2ccnc21)C1CCCCC1 ZINC000577035562 365779297 /nfs/dbraw/zinc/77/92/97/365779297.db2.gz CFWXRMPDCJFKMS-GXTWGEPZSA-N 0 3 247.386 3.134 20 0 BGADHN C[C@@H](CN[C@H]1CCn2ccnc21)C1CCCCC1 ZINC000577035563 365779950 /nfs/dbraw/zinc/77/99/50/365779950.db2.gz CFWXRMPDCJFKMS-JSGCOSHPSA-N 0 3 247.386 3.134 20 0 BGADHN C[C@H](CN[C@H]1CCn2ccnc21)C1CCCCC1 ZINC000577035564 365779531 /nfs/dbraw/zinc/77/95/31/365779531.db2.gz CFWXRMPDCJFKMS-OCCSQVGLSA-N 0 3 247.386 3.134 20 0 BGADHN C[C@H](CN[C@@H]1CCn2ccnc21)C1CCCCC1 ZINC000577035565 365779966 /nfs/dbraw/zinc/77/99/66/365779966.db2.gz CFWXRMPDCJFKMS-TZMCWYRMSA-N 0 3 247.386 3.134 20 0 BGADHN CC1(CN[C@H]2CCOc3c(F)cccc32)CC1 ZINC000577039345 365783345 /nfs/dbraw/zinc/78/33/45/365783345.db2.gz ISQBLJMTSODCPG-LBPRGKRZSA-N 0 3 235.302 3.039 20 0 BGADHN CCCN(CCC)Cc1c(C)nsc1C ZINC000577046902 365787535 /nfs/dbraw/zinc/78/75/35/365787535.db2.gz VINJYAIICJCEDK-UHFFFAOYSA-N 0 3 226.389 3.382 20 0 BGADHN Cc1nc(CNCCCC2CCCCC2)[nH]c1C ZINC000577078228 365807805 /nfs/dbraw/zinc/80/78/05/365807805.db2.gz UZEYMTZUZOLXHD-UHFFFAOYSA-N 0 3 249.402 3.477 20 0 BGADHN FC(F)c1ccc(CN[C@@H]2CC23CC3)cc1 ZINC000577095157 343833855 /nfs/dbraw/zinc/83/38/55/343833855.db2.gz AARCYBQGNMJMFZ-LLVKDONJSA-N 0 3 223.266 3.266 20 0 BGADHN FC(F)c1ccc(CN[C@H]2CC23CC3)cc1 ZINC000577095160 343833630 /nfs/dbraw/zinc/83/36/30/343833630.db2.gz AARCYBQGNMJMFZ-NSHDSACASA-N 0 3 223.266 3.266 20 0 BGADHN CC[C@H](CC(F)(F)F)NCc1ccncc1C ZINC000577183569 365865632 /nfs/dbraw/zinc/86/56/32/365865632.db2.gz IBEBYNWBGUDJAF-LLVKDONJSA-N 0 3 246.276 3.211 20 0 BGADHN CC[C@@H](CC(F)(F)F)NCc1ccncc1C ZINC000577183570 365865617 /nfs/dbraw/zinc/86/56/17/365865617.db2.gz IBEBYNWBGUDJAF-NSHDSACASA-N 0 3 246.276 3.211 20 0 BGADHN CCN(Cc1c(C)nsc1C)C1CCC1 ZINC000577188799 365869345 /nfs/dbraw/zinc/86/93/45/365869345.db2.gz NKYBUGWDMRBGMC-UHFFFAOYSA-N 0 3 224.373 3.134 20 0 BGADHN Cc1cc(OCCC(F)(F)F)c(C)c(C)n1 ZINC000577191298 365870423 /nfs/dbraw/zinc/87/04/23/365870423.db2.gz HBBXNXYLIWTESM-UHFFFAOYSA-N 0 3 233.233 3.338 20 0 BGADHN CCC(CC)CN[C@H](C)c1cn2ccccc2n1 ZINC000577197778 365873501 /nfs/dbraw/zinc/87/35/01/365873501.db2.gz SWJGXRFXSGHWKU-GFCCVEGCSA-N 0 3 245.370 3.421 20 0 BGADHN CCC(CC)CN[C@@H](C)c1cn2ccccc2n1 ZINC000577197779 365874000 /nfs/dbraw/zinc/87/40/00/365874000.db2.gz SWJGXRFXSGHWKU-LBPRGKRZSA-N 0 3 245.370 3.421 20 0 BGADHN CC(C)[C@@H](CN1CCO[C@@H](C)C1)c1ccccc1 ZINC000577236716 365894749 /nfs/dbraw/zinc/89/47/49/365894749.db2.gz KPMOFXPQBWJYCS-GOEBONIOSA-N 0 3 247.382 3.147 20 0 BGADHN CC(C)[C@H](CN1CCO[C@@H](C)C1)c1ccccc1 ZINC000577236717 365895549 /nfs/dbraw/zinc/89/55/49/365895549.db2.gz KPMOFXPQBWJYCS-HOCLYGCPSA-N 0 3 247.382 3.147 20 0 BGADHN Cc1cnn(C)c1CN(C)CCC1CCCCC1 ZINC000577304518 365923861 /nfs/dbraw/zinc/92/38/61/365923861.db2.gz IQPHTDCTAVDZPR-UHFFFAOYSA-N 0 3 249.402 3.131 20 0 BGADHN CCC1(NCc2cnc(C3CC3)s2)CC1 ZINC000577339591 365928352 /nfs/dbraw/zinc/92/83/52/365928352.db2.gz AZINQVBWVXYNGX-UHFFFAOYSA-N 0 3 222.357 3.053 20 0 BGADHN Cc1cccc(CN2C3CCC2CC3)c1F ZINC000577458544 365956404 /nfs/dbraw/zinc/95/64/04/365956404.db2.gz FLHCHYIMVXNOMJ-UHFFFAOYSA-N 0 3 219.303 3.261 20 0 BGADHN CC[C@@H]1CCCN(Cc2c(C)nsc2C)C1 ZINC000577461079 365957599 /nfs/dbraw/zinc/95/75/99/365957599.db2.gz VGYLWUWQZGJPQW-GFCCVEGCSA-N 0 3 238.400 3.382 20 0 BGADHN CC[C@H]1CCCN(Cc2c(C)nsc2C)C1 ZINC000577461080 365956913 /nfs/dbraw/zinc/95/69/13/365956913.db2.gz VGYLWUWQZGJPQW-LBPRGKRZSA-N 0 3 238.400 3.382 20 0 BGADHN CC1(C)CCN1Cc1scnc1C1CC1 ZINC000577568175 365992329 /nfs/dbraw/zinc/99/23/29/365992329.db2.gz CRRCRTVXKFMNOG-UHFFFAOYSA-N 0 3 222.357 3.005 20 0 BGADHN Cc1cnccc1CN1CCC(C(C)C)CC1 ZINC000577584664 366005190 /nfs/dbraw/zinc/00/51/90/366005190.db2.gz MLIGPHUCIBHQLW-UHFFFAOYSA-N 0 3 232.371 3.258 20 0 BGADHN CC[C@@H](C)CN(C)Cc1ccc2c(n1)CCC2 ZINC000577585455 366005032 /nfs/dbraw/zinc/00/50/32/366005032.db2.gz BEGSMVFNMHTDJE-GFCCVEGCSA-N 0 3 232.371 3.048 20 0 BGADHN CC[C@H](C)CN(C)Cc1ccc2c(n1)CCC2 ZINC000577585456 366005139 /nfs/dbraw/zinc/00/51/39/366005139.db2.gz BEGSMVFNMHTDJE-LBPRGKRZSA-N 0 3 232.371 3.048 20 0 BGADHN Cc1occc1CN(C)[C@H](C)C(C)(C)C ZINC000577588946 366008135 /nfs/dbraw/zinc/00/81/35/366008135.db2.gz KQHGWERIZSMVMJ-LLVKDONJSA-N 0 3 209.333 3.454 20 0 BGADHN Cc1occc1CN(C)[C@@H](C)C(C)(C)C ZINC000577588947 366008783 /nfs/dbraw/zinc/00/87/83/366008783.db2.gz KQHGWERIZSMVMJ-NSHDSACASA-N 0 3 209.333 3.454 20 0 BGADHN C[C@@H](N(C)Cc1ccc2c(n1)CCC2)C1(C)CC1 ZINC000577595927 366011007 /nfs/dbraw/zinc/01/10/07/366011007.db2.gz VFULPCRCKHWXPO-GFCCVEGCSA-N 0 3 244.382 3.191 20 0 BGADHN C[C@H](N(C)Cc1ccc2c(n1)CCC2)C1(C)CC1 ZINC000577595929 366011071 /nfs/dbraw/zinc/01/10/71/366011071.db2.gz VFULPCRCKHWXPO-LBPRGKRZSA-N 0 3 244.382 3.191 20 0 BGADHN COc1ccc(CN[C@@H]2C[C@H]2C2CCC2)c(F)c1 ZINC000577617274 366020287 /nfs/dbraw/zinc/02/02/87/366020287.db2.gz YQYVDEGOZXFTSO-DZGCQCFKSA-N 0 3 249.329 3.113 20 0 BGADHN CC(C)[C@H](NCc1noc2ccccc21)C1CC1 ZINC000577625985 366023964 /nfs/dbraw/zinc/02/39/64/366023964.db2.gz YNLSSGSUPMLJEY-HNNXBMFYSA-N 0 3 244.338 3.352 20 0 BGADHN CC(C)[C@@H](NCc1noc2ccccc21)C1CC1 ZINC000577625986 366023651 /nfs/dbraw/zinc/02/36/51/366023651.db2.gz YNLSSGSUPMLJEY-OAHLLOKOSA-N 0 3 244.338 3.352 20 0 BGADHN CC1(C)CC(NCc2scnc2C2CC2)C1 ZINC000577627976 366025747 /nfs/dbraw/zinc/02/57/47/366025747.db2.gz NGECBSVQTFXOSK-UHFFFAOYSA-N 0 3 236.384 3.299 20 0 BGADHN c1ccc2c(c1)CC[C@@H]2NCCOCC1CCC1 ZINC000577661682 366033442 /nfs/dbraw/zinc/03/34/42/366033442.db2.gz WMLHFRSMDGMCEU-INIZCTEOSA-N 0 3 245.366 3.080 20 0 BGADHN c1ccc2c(c1)CC[C@H]2NCCOCC1CCC1 ZINC000577661683 366033400 /nfs/dbraw/zinc/03/34/00/366033400.db2.gz WMLHFRSMDGMCEU-MRXNPFEDSA-N 0 3 245.366 3.080 20 0 BGADHN c1cc2c(o1)CCC[C@@H]2NCCOCC1CCC1 ZINC000577703745 366039446 /nfs/dbraw/zinc/03/94/46/366039446.db2.gz XWQVYTTZRCLSAT-AWEZNQCLSA-N 0 3 249.354 3.063 20 0 BGADHN c1cc2c(o1)CCC[C@H]2NCCOCC1CCC1 ZINC000577703746 366039319 /nfs/dbraw/zinc/03/93/19/366039319.db2.gz XWQVYTTZRCLSAT-CQSZACIVSA-N 0 3 249.354 3.063 20 0 BGADHN CCC[C@H]1CCCC[C@H]1CNCc1cnccn1 ZINC000577715860 366041071 /nfs/dbraw/zinc/04/10/71/366041071.db2.gz GSTPABIUOSWZBK-KBPBESRZSA-N 0 3 247.386 3.173 20 0 BGADHN CCC[C@@H]1CCCC[C@H]1CNCc1cnccn1 ZINC000577715862 366041382 /nfs/dbraw/zinc/04/13/82/366041382.db2.gz GSTPABIUOSWZBK-KGLIPLIRSA-N 0 3 247.386 3.173 20 0 BGADHN CCC[C@H]1CCCC[C@@H]1CNCc1cnccn1 ZINC000577715863 366041058 /nfs/dbraw/zinc/04/10/58/366041058.db2.gz GSTPABIUOSWZBK-UONOGXRCSA-N 0 3 247.386 3.173 20 0 BGADHN CCC[C@@H]1CCCC[C@@H]1CNCc1cnccn1 ZINC000577715864 366041417 /nfs/dbraw/zinc/04/14/17/366041417.db2.gz GSTPABIUOSWZBK-ZIAGYGMSSA-N 0 3 247.386 3.173 20 0 BGADHN CC[C@@H]1CCN(Cc2ccc(OC)cc2F)C1 ZINC000577758635 366053629 /nfs/dbraw/zinc/05/36/29/366053629.db2.gz JDKKGPPJXGPHHW-LLVKDONJSA-N 0 3 237.318 3.066 20 0 BGADHN CC[C@H]1CCN(Cc2ccc(OC)cc2F)C1 ZINC000577758636 366053542 /nfs/dbraw/zinc/05/35/42/366053542.db2.gz JDKKGPPJXGPHHW-NSHDSACASA-N 0 3 237.318 3.066 20 0 BGADHN CCN(Cc1ccc(OC)cc1F)C1CCC1 ZINC000577758643 366055946 /nfs/dbraw/zinc/05/59/46/366055946.db2.gz JLUOAHRLVBHFCV-UHFFFAOYSA-N 0 3 237.318 3.209 20 0 BGADHN c1ccc2c(CNC[C@@H]3CC=CCC3)noc2c1 ZINC000577767734 366057519 /nfs/dbraw/zinc/05/75/19/366057519.db2.gz JYPUHNIQYQLUDG-GFCCVEGCSA-N 0 3 242.322 3.274 20 0 BGADHN c1ccc2c(CNC[C@H]3CC=CCC3)noc2c1 ZINC000577767735 366057394 /nfs/dbraw/zinc/05/73/94/366057394.db2.gz JYPUHNIQYQLUDG-LBPRGKRZSA-N 0 3 242.322 3.274 20 0 BGADHN CCCN(Cc1ccc(COC)o1)C(C)C ZINC000577768930 366059663 /nfs/dbraw/zinc/05/96/63/366059663.db2.gz XATVDWLIPZGEFD-UHFFFAOYSA-N 0 3 225.332 3.046 20 0 BGADHN CCCCNCc1conc1Cc1ccccc1 ZINC000577773322 366058856 /nfs/dbraw/zinc/05/88/56/366058856.db2.gz LDVSGRBHEGVYLK-UHFFFAOYSA-N 0 3 244.338 3.155 20 0 BGADHN C[C@@H](NCc1ccn(C)n1)[C@@H](C)C1CCCCC1 ZINC000577784293 366060672 /nfs/dbraw/zinc/06/06/72/366060672.db2.gz UQIVQMPGEDOYJO-CHWSQXEVSA-N 0 3 249.402 3.115 20 0 BGADHN C[C@H](NCc1ccn(C)n1)[C@@H](C)C1CCCCC1 ZINC000577784294 366060468 /nfs/dbraw/zinc/06/04/68/366060468.db2.gz UQIVQMPGEDOYJO-OLZOCXBDSA-N 0 3 249.402 3.115 20 0 BGADHN C[C@@H](NCc1ccn(C)n1)[C@H](C)C1CCCCC1 ZINC000577784295 366060804 /nfs/dbraw/zinc/06/08/04/366060804.db2.gz UQIVQMPGEDOYJO-QWHCGFSZSA-N 0 3 249.402 3.115 20 0 BGADHN C[C@@H]([C@H](C)NCc1ccn(C)n1)C1CCCCC1 ZINC000577784296 366060555 /nfs/dbraw/zinc/06/05/55/366060555.db2.gz UQIVQMPGEDOYJO-STQMWFEESA-N 0 3 249.402 3.115 20 0 BGADHN FC1(CNCC[C@H]2CCc3ccccc32)CC1 ZINC000577823191 366070809 /nfs/dbraw/zinc/07/08/09/366070809.db2.gz UAECSOIULASDPR-CYBMUJFWSA-N 0 3 233.330 3.198 20 0 BGADHN FC1(CNCC[C@@H]2CCc3ccccc32)CC1 ZINC000577823192 366070913 /nfs/dbraw/zinc/07/09/13/366070913.db2.gz UAECSOIULASDPR-ZDUSSCGKSA-N 0 3 233.330 3.198 20 0 BGADHN C[C@@H]1CCC[C@@H](CN2CC(C(F)(F)F)C2)C1 ZINC000577823814 366070897 /nfs/dbraw/zinc/07/08/97/366070897.db2.gz UFYAJQGKHJOYRQ-NXEZZACHSA-N 0 3 235.293 3.307 20 0 BGADHN C[C@H]1CCC[C@H](CN2CC(C(F)(F)F)C2)C1 ZINC000577823815 366071051 /nfs/dbraw/zinc/07/10/51/366071051.db2.gz UFYAJQGKHJOYRQ-UWVGGRQHSA-N 0 3 235.293 3.307 20 0 BGADHN C[C@H]1CCC[C@@H](CN2CC(C(F)(F)F)C2)C1 ZINC000577823816 366071398 /nfs/dbraw/zinc/07/13/98/366071398.db2.gz UFYAJQGKHJOYRQ-VHSXEESVSA-N 0 3 235.293 3.307 20 0 BGADHN C[C@@H]1CCC[C@H](CN2CC(C(F)(F)F)C2)C1 ZINC000577823817 366070984 /nfs/dbraw/zinc/07/09/84/366070984.db2.gz UFYAJQGKHJOYRQ-ZJUUUORDSA-N 0 3 235.293 3.307 20 0 BGADHN C[C@H](N[C@H]1CC[C@H]1C1CCC1)c1cscn1 ZINC000577867166 366091574 /nfs/dbraw/zinc/09/15/74/366091574.db2.gz QKYQLBUNBHDJIS-DLOVCJGASA-N 0 3 236.384 3.372 20 0 BGADHN C[C@H](N[C@@H]1CC[C@@H]1C1CCC1)c1cscn1 ZINC000577867167 366091009 /nfs/dbraw/zinc/09/10/09/366091009.db2.gz QKYQLBUNBHDJIS-MVWJERBFSA-N 0 3 236.384 3.372 20 0 BGADHN C[C@H](N[C@H]1CC[C@@H]1C1CCC1)c1cscn1 ZINC000577867168 366091423 /nfs/dbraw/zinc/09/14/23/366091423.db2.gz QKYQLBUNBHDJIS-WCQGTBRESA-N 0 3 236.384 3.372 20 0 BGADHN C[C@H](N[C@@H]1CC[C@H]1C1CCC1)c1cscn1 ZINC000577867169 366091375 /nfs/dbraw/zinc/09/13/75/366091375.db2.gz QKYQLBUNBHDJIS-ZMLRMANQSA-N 0 3 236.384 3.372 20 0 BGADHN Cc1ccc2c(c1)[C@H](NCC1(F)CC1)CCC2 ZINC000577925171 366103632 /nfs/dbraw/zinc/10/36/32/366103632.db2.gz MAPOLDNLFIOYIO-CQSZACIVSA-N 0 3 233.330 3.464 20 0 BGADHN CN(Cc1ccc(Cl)cn1)C1CC(C)(C)C1 ZINC000577938676 366113012 /nfs/dbraw/zinc/11/30/12/366113012.db2.gz NBTVIHGWZSJOHJ-UHFFFAOYSA-N 0 3 238.762 3.355 20 0 BGADHN CCc1cccc(CNCCC(F)(F)F)c1 ZINC000577957087 366140005 /nfs/dbraw/zinc/14/00/05/366140005.db2.gz CXZXTHFKWNXHFG-UHFFFAOYSA-N 0 3 231.261 3.291 20 0 BGADHN CCCN(Cc1sccc1OC)C(C)C ZINC000577963529 366148699 /nfs/dbraw/zinc/14/86/99/366148699.db2.gz DIFFQUAVBYJAJE-UHFFFAOYSA-N 0 3 227.373 3.377 20 0 BGADHN CCC(=O)CCCN(Cc1ccccn1)C(C)C ZINC000578024567 366189188 /nfs/dbraw/zinc/18/91/88/366189188.db2.gz LPBNMECGHLNVQP-UHFFFAOYSA-N 0 3 248.370 3.051 20 0 BGADHN CC(C)CCN(Cc1cnccn1)C1CCCC1 ZINC000578039348 366200109 /nfs/dbraw/zinc/20/01/09/366200109.db2.gz XRXLBLNJVOILQM-UHFFFAOYSA-N 0 3 247.386 3.267 20 0 BGADHN CC1(CN2Cc3ccc(O)cc3C3(CC3)C2)CC1 ZINC000578106705 366252294 /nfs/dbraw/zinc/25/22/94/366252294.db2.gz XZPQTHVWOQFHES-UHFFFAOYSA-N 0 3 243.350 3.040 20 0 BGADHN CCN(Cc1ccc(Cl)cn1)CC1CCC1 ZINC000578108012 366255509 /nfs/dbraw/zinc/25/55/09/366255509.db2.gz QWPCFQUYEGUCKJ-UHFFFAOYSA-N 0 3 238.762 3.357 20 0 BGADHN CC(C)O[C@@H]1CCN(C/C=C\c2ccccc2)C1 ZINC000578129880 366290421 /nfs/dbraw/zinc/29/04/21/366290421.db2.gz HEXUOPLRUWMQMU-CXOKCQFOSA-N 0 3 245.366 3.199 20 0 BGADHN CC(C)O[C@@H]1CCN(C/C=C/c2ccccc2)C1 ZINC000578129881 366290143 /nfs/dbraw/zinc/29/01/43/366290143.db2.gz HEXUOPLRUWMQMU-YXMGTMDOSA-N 0 3 245.366 3.199 20 0 BGADHN CCO[C@@H]1C[C@H]1N[C@H]1CCCc2ccc(C)cc21 ZINC000578291014 366476510 /nfs/dbraw/zinc/47/65/10/366476510.db2.gz YEZBJGTZUAYLSV-ARFHVFGLSA-N 0 3 245.366 3.139 20 0 BGADHN CCO[C@@H]1C[C@H]1N[C@@H]1CCCc2ccc(C)cc21 ZINC000578291015 366475012 /nfs/dbraw/zinc/47/50/12/366475012.db2.gz YEZBJGTZUAYLSV-BZUAXINKSA-N 0 3 245.366 3.139 20 0 BGADHN CCO[C@@H]1C[C@@H]1N[C@H]1CCCc2ccc(C)cc21 ZINC000578291016 366474104 /nfs/dbraw/zinc/47/41/04/366474104.db2.gz YEZBJGTZUAYLSV-HRCADAONSA-N 0 3 245.366 3.139 20 0 BGADHN CCO[C@@H]1C[C@@H]1N[C@@H]1CCCc2ccc(C)cc21 ZINC000578291017 366474734 /nfs/dbraw/zinc/47/47/34/366474734.db2.gz YEZBJGTZUAYLSV-OWCLPIDISA-N 0 3 245.366 3.139 20 0 BGADHN Cc1cc(F)c(CN[C@H]2[C@@H]3CCC[C@@H]32)c(F)c1 ZINC000578338731 366527707 /nfs/dbraw/zinc/52/77/07/366527707.db2.gz VGJBVODHFXQBGR-MSRIBSCDSA-N 0 3 237.293 3.161 20 0 BGADHN Cc1cc(F)c(CN[C@@H]2[C@@H]3CCC[C@@H]32)c(F)c1 ZINC000578338732 366528042 /nfs/dbraw/zinc/52/80/42/366528042.db2.gz VGJBVODHFXQBGR-WDAIWFPHSA-N 0 3 237.293 3.161 20 0 BGADHN CCc1cc(CNCCC2CCCCC2)on1 ZINC000578389651 366549434 /nfs/dbraw/zinc/54/94/34/366549434.db2.gz CKJKVURMTQHULU-UHFFFAOYSA-N 0 3 236.359 3.297 20 0 BGADHN COc1cc(C)ccc1CNC1(C2CC2)CC1 ZINC000578426906 366564966 /nfs/dbraw/zinc/56/49/66/366564966.db2.gz DLIBJLXMLILOTJ-UHFFFAOYSA-N 0 3 231.339 3.036 20 0 BGADHN CCC(C)(C)[C@H](C)NCc1ncccc1F ZINC000578431339 366566779 /nfs/dbraw/zinc/56/67/79/366566779.db2.gz HUBNFPAFXFODKS-JTQLQIEISA-N 0 3 224.323 3.135 20 0 BGADHN CCC(C)(C)[C@@H](C)NCc1ncccc1F ZINC000578431340 366566539 /nfs/dbraw/zinc/56/65/39/366566539.db2.gz HUBNFPAFXFODKS-SNVBAGLBSA-N 0 3 224.323 3.135 20 0 BGADHN CCC1CCN(Cc2ccc3c(n2)CCC3)CC1 ZINC000578440010 366567980 /nfs/dbraw/zinc/56/79/80/366567980.db2.gz QIMPIQUVWWICHI-UHFFFAOYSA-N 0 3 244.382 3.192 20 0 BGADHN CCN(Cc1snnc1C)C1CCCCC1 ZINC000578445663 366570731 /nfs/dbraw/zinc/57/07/31/366570731.db2.gz MVSBYOUVWZHHHR-UHFFFAOYSA-N 0 3 239.388 3.001 20 0 BGADHN C[C@@H]1c2ccccc2CN1C[C@@H]1CCCC[C@@H]1O ZINC000578445863 366570516 /nfs/dbraw/zinc/57/05/16/366570516.db2.gz WQJLLOWAHUPWOA-INWMFGNUSA-N 0 3 245.366 3.114 20 0 BGADHN C[C@@H]1c2ccccc2CN1C[C@@H]1CCCC[C@H]1O ZINC000578445864 366571073 /nfs/dbraw/zinc/57/10/73/366571073.db2.gz WQJLLOWAHUPWOA-IVMMDQJWSA-N 0 3 245.366 3.114 20 0 BGADHN C[C@@H]1c2ccccc2CN1C[C@H]1CCCC[C@H]1O ZINC000578445865 366571319 /nfs/dbraw/zinc/57/13/19/366571319.db2.gz WQJLLOWAHUPWOA-XNRPHZJLSA-N 0 3 245.366 3.114 20 0 BGADHN C[C@@H]1c2ccccc2CN1C[C@H]1CCCC[C@@H]1O ZINC000578445866 366570579 /nfs/dbraw/zinc/57/05/79/366570579.db2.gz WQJLLOWAHUPWOA-XPKDYRNWSA-N 0 3 245.366 3.114 20 0 BGADHN CCC(CC)NCc1noc2ccccc12 ZINC000578453103 366573118 /nfs/dbraw/zinc/57/31/18/366573118.db2.gz GLTYEVVGVSPXOZ-UHFFFAOYSA-N 0 3 218.300 3.106 20 0 BGADHN C[C@@H]1CN(CC2(C)CC2)Cc2ccccc2O1 ZINC000578479874 366576600 /nfs/dbraw/zinc/57/66/00/366576600.db2.gz YSESPFXXDOWMFW-GFCCVEGCSA-N 0 3 231.339 3.070 20 0 BGADHN C[C@H]1CN(CC2(C)CC2)Cc2ccccc2O1 ZINC000578479875 366575762 /nfs/dbraw/zinc/57/57/62/366575762.db2.gz YSESPFXXDOWMFW-LBPRGKRZSA-N 0 3 231.339 3.070 20 0 BGADHN Cc1ccc(C2(CNCC3(F)CC3)CC2)c(C)c1 ZINC000578483858 366577270 /nfs/dbraw/zinc/57/72/70/366577270.db2.gz CNNAVOIOFWMQKJ-UHFFFAOYSA-N 0 3 247.357 3.427 20 0 BGADHN COCCCCCOc1cc(C)nc(C)c1C ZINC000578522637 344891407 /nfs/dbraw/zinc/89/14/07/344891407.db2.gz RPYOQNCFKPHCCI-UHFFFAOYSA-N 0 3 237.343 3.202 20 0 BGADHN COc1cnccc1[C@@H](C)N[C@@H]1CC=C(C)CC1 ZINC000578530616 366591813 /nfs/dbraw/zinc/59/18/13/366591813.db2.gz MYCDQUXDSSGERH-CHWSQXEVSA-N 0 3 246.354 3.240 20 0 BGADHN COc1cnccc1[C@@H](C)N[C@H]1CC=C(C)CC1 ZINC000578530617 366591601 /nfs/dbraw/zinc/59/16/01/366591601.db2.gz MYCDQUXDSSGERH-OLZOCXBDSA-N 0 3 246.354 3.240 20 0 BGADHN COc1cnccc1[C@H](C)N[C@@H]1CC=C(C)CC1 ZINC000578530618 366591957 /nfs/dbraw/zinc/59/19/57/366591957.db2.gz MYCDQUXDSSGERH-QWHCGFSZSA-N 0 3 246.354 3.240 20 0 BGADHN COc1cnccc1[C@H](C)N[C@H]1CC=C(C)CC1 ZINC000578530619 366592360 /nfs/dbraw/zinc/59/23/60/366592360.db2.gz MYCDQUXDSSGERH-STQMWFEESA-N 0 3 246.354 3.240 20 0 BGADHN CC(C)=CCN1CCC=C(c2ccccn2)C1 ZINC000578544982 366596151 /nfs/dbraw/zinc/59/61/51/366596151.db2.gz AMKFQMZXVVQNGV-UHFFFAOYSA-N 0 3 228.339 3.137 20 0 BGADHN Cc1cc(OCCc2cscn2)c(C)c(C)n1 ZINC000578549544 366597535 /nfs/dbraw/zinc/59/75/35/366597535.db2.gz QPSRSQIDNQTRNH-UHFFFAOYSA-N 0 3 248.351 3.085 20 0 BGADHN CC1(CN2CCC(CC(F)(F)F)CC2)CC1 ZINC000578559954 366599111 /nfs/dbraw/zinc/59/91/11/366599111.db2.gz JHRDRMZFYOGCBN-UHFFFAOYSA-N 0 3 235.293 3.451 20 0 BGADHN CC[C@@H]1CCN1Cc1ccnc2ccccc12 ZINC000578586497 366602001 /nfs/dbraw/zinc/60/20/01/366602001.db2.gz CXNZUCNLTSNMKN-CYBMUJFWSA-N 0 3 226.323 3.219 20 0 BGADHN CC[C@H]1CCN1Cc1ccnc2ccccc12 ZINC000578586498 366602070 /nfs/dbraw/zinc/60/20/70/366602070.db2.gz CXNZUCNLTSNMKN-ZDUSSCGKSA-N 0 3 226.323 3.219 20 0 BGADHN COc1cc(C)ccc1CN1C2CCC1CC2 ZINC000578593316 366603107 /nfs/dbraw/zinc/60/31/07/366603107.db2.gz HPEVTUYBZPAXJT-UHFFFAOYSA-N 0 3 231.339 3.130 20 0 BGADHN CC(C)n1cncc1CN(C)[C@H](C)C(C)(C)C ZINC000578620617 366610272 /nfs/dbraw/zinc/61/02/72/366610272.db2.gz QOOLUHKOPPWYDL-GFCCVEGCSA-N 0 3 237.391 3.330 20 0 BGADHN CC(C)n1cncc1CN(C)[C@@H](C)C(C)(C)C ZINC000578620618 366610570 /nfs/dbraw/zinc/61/05/70/366610570.db2.gz QOOLUHKOPPWYDL-LBPRGKRZSA-N 0 3 237.391 3.330 20 0 BGADHN Cc1nsc(C)c1CN[C@@H]1CCC1(C)C ZINC000578640065 366616711 /nfs/dbraw/zinc/61/67/11/366616711.db2.gz KGHMRXCLJNGEKW-LLVKDONJSA-N 0 3 224.373 3.038 20 0 BGADHN Cc1nsc(C)c1CN[C@H]1CCC1(C)C ZINC000578640070 366616817 /nfs/dbraw/zinc/61/68/17/366616817.db2.gz KGHMRXCLJNGEKW-NSHDSACASA-N 0 3 224.373 3.038 20 0 BGADHN COc1ccc(F)cc1CN(C)C(C)(C)C ZINC000578646560 366619222 /nfs/dbraw/zinc/61/92/22/366619222.db2.gz AMGKXZWCKXAJNW-UHFFFAOYSA-N 0 3 225.307 3.065 20 0 BGADHN C[C@@H](N[C@H]1C[C@@H]1C(F)F)c1cc(F)cc(F)c1 ZINC000578661074 366623358 /nfs/dbraw/zinc/62/33/58/366623358.db2.gz PJWSGOCCPRMMRY-DADVEIPYSA-N 0 3 247.235 3.269 20 0 BGADHN CCN(Cc1c(C)nsc1C)CC1CCC1 ZINC000578664692 366623162 /nfs/dbraw/zinc/62/31/62/366623162.db2.gz UYADVDKGWAMLMD-UHFFFAOYSA-N 0 3 238.400 3.382 20 0 BGADHN Cc1ccc(CCCN2CCOCC2(C)C)cc1 ZINC000578672793 366625886 /nfs/dbraw/zinc/62/58/86/366625886.db2.gz VZXUSGSMSDRZCA-UHFFFAOYSA-N 0 3 247.382 3.038 20 0 BGADHN CC(C)C[C@@H](C)CN1CC2(CCC2(F)F)C1 ZINC000578704480 366628258 /nfs/dbraw/zinc/62/82/58/366628258.db2.gz CUYPUJVTDSIPDF-LLVKDONJSA-N 0 3 231.330 3.400 20 0 BGADHN CC(C)C[C@H](C)CN1CC2(CCC2(F)F)C1 ZINC000578704481 366628294 /nfs/dbraw/zinc/62/82/94/366628294.db2.gz CUYPUJVTDSIPDF-NSHDSACASA-N 0 3 231.330 3.400 20 0 BGADHN FCCCCCN1CCC=C(c2ccccn2)C1 ZINC000578710455 366628083 /nfs/dbraw/zinc/62/80/83/366628083.db2.gz PZBACPVZWWUXLW-UHFFFAOYSA-N 0 3 248.345 3.311 20 0 BGADHN CCc1cc(CN[C@@H]2C[C@@H](C)CC[C@@H]2C)on1 ZINC000578713775 366629673 /nfs/dbraw/zinc/62/96/73/366629673.db2.gz IEHZFKHBGHMKFI-COPLHBTASA-N 0 3 236.359 3.151 20 0 BGADHN CCc1cc(CN[C@@H]2C[C@H](C)CC[C@H]2C)on1 ZINC000578713776 366629131 /nfs/dbraw/zinc/62/91/31/366629131.db2.gz IEHZFKHBGHMKFI-JTNHKYCSSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1cc(CN[C@@H]2C[C@@H](C)CC[C@H]2C)on1 ZINC000578713777 366629514 /nfs/dbraw/zinc/62/95/14/366629514.db2.gz IEHZFKHBGHMKFI-MISXGVKJSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1cc(CN[C@@H]2C[C@H](C)CC[C@@H]2C)on1 ZINC000578713778 366625061 /nfs/dbraw/zinc/62/50/61/366625061.db2.gz IEHZFKHBGHMKFI-UHIISALHSA-N 0 3 236.359 3.151 20 0 BGADHN CCC[C@@H]1CCCC[C@@H]1N[C@@H]1CCn2ccnc21 ZINC000578837225 366655902 /nfs/dbraw/zinc/65/59/02/366655902.db2.gz LWRDIKGOPCOVNY-HZSPNIEDSA-N 0 3 247.386 3.276 20 0 BGADHN CCC[C@@H]1CCCC[C@H]1N[C@H]1CCn2ccnc21 ZINC000578837241 366655172 /nfs/dbraw/zinc/65/51/72/366655172.db2.gz LWRDIKGOPCOVNY-MCIONIFRSA-N 0 3 247.386 3.276 20 0 BGADHN CCC[C@@H]1CCCC[C@H]1N[C@@H]1CCn2ccnc21 ZINC000578837244 366655643 /nfs/dbraw/zinc/65/56/43/366655643.db2.gz LWRDIKGOPCOVNY-MGPQQGTHSA-N 0 3 247.386 3.276 20 0 BGADHN CCC[C@@H]1CCCC[C@@H]1N[C@H]1CCn2ccnc21 ZINC000578837246 366655449 /nfs/dbraw/zinc/65/54/49/366655449.db2.gz LWRDIKGOPCOVNY-RDBSUJKOSA-N 0 3 247.386 3.276 20 0 BGADHN FCC1(NCc2cccc3ccoc32)CCC1 ZINC000578866429 366661385 /nfs/dbraw/zinc/66/13/85/366661385.db2.gz MZSZTCAOFCASDS-UHFFFAOYSA-N 0 3 233.286 3.415 20 0 BGADHN Cc1ccc(COc2ccccc2CN)c(C)c1 ZINC000578892129 366669727 /nfs/dbraw/zinc/66/97/27/366669727.db2.gz MMRSAIWUJPEGRT-UHFFFAOYSA-N 0 3 241.334 3.341 20 0 BGADHN Cc1nc(CNCC2CCC(C)(C)CC2)[nH]c1C ZINC000578905652 366672652 /nfs/dbraw/zinc/67/26/52/366672652.db2.gz FGFQISQVEFSQFI-UHFFFAOYSA-N 0 3 249.402 3.333 20 0 BGADHN Cc1nc(CNCCC2=CCCCCC2)[nH]c1C ZINC000578905981 366672706 /nfs/dbraw/zinc/67/27/06/366672706.db2.gz JAPDYLDBNUPCAD-UHFFFAOYSA-N 0 3 247.386 3.397 20 0 BGADHN C[C@@H](NCCCC1CCOCC1)c1ccoc1 ZINC000578929311 366675539 /nfs/dbraw/zinc/67/55/39/366675539.db2.gz KKZBUTMHUXDNER-GFCCVEGCSA-N 0 3 237.343 3.137 20 0 BGADHN C[C@H](NCCCC1CCOCC1)c1ccoc1 ZINC000578929313 366676002 /nfs/dbraw/zinc/67/60/02/366676002.db2.gz KKZBUTMHUXDNER-LBPRGKRZSA-N 0 3 237.343 3.137 20 0 BGADHN CC(C)(C)Oc1cccc(CNCC2(C)CC2)n1 ZINC000578942308 366676821 /nfs/dbraw/zinc/67/68/21/366676821.db2.gz KDLPKWNEFDLPJY-UHFFFAOYSA-N 0 3 248.370 3.149 20 0 BGADHN CCc1nc(C)c(CN(C2CC2)C2CCCC2)o1 ZINC000578946123 366676780 /nfs/dbraw/zinc/67/67/80/366676780.db2.gz GKFBAQDAMZLPQV-UHFFFAOYSA-N 0 3 248.370 3.452 20 0 BGADHN c1cc(CNCCCC2CC2)n(C2CCCC2)n1 ZINC000578960970 366679464 /nfs/dbraw/zinc/67/94/64/366679464.db2.gz BGWYDQZHPQADGX-UHFFFAOYSA-N 0 3 247.386 3.278 20 0 BGADHN CCn1ccnc1[C@@H](C)N[C@@H]1CC=C(C)CC1 ZINC000578961023 366679780 /nfs/dbraw/zinc/67/97/80/366679780.db2.gz HMZRVKMBZYEDNO-CHWSQXEVSA-N 0 3 233.359 3.052 20 0 BGADHN CCn1ccnc1[C@@H](C)N[C@H]1CC=C(C)CC1 ZINC000578961026 366679503 /nfs/dbraw/zinc/67/95/03/366679503.db2.gz HMZRVKMBZYEDNO-OLZOCXBDSA-N 0 3 233.359 3.052 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@@H]1CC=C(C)CC1 ZINC000578961027 366679920 /nfs/dbraw/zinc/67/99/20/366679920.db2.gz HMZRVKMBZYEDNO-QWHCGFSZSA-N 0 3 233.359 3.052 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@H]1CC=C(C)CC1 ZINC000578961028 366679838 /nfs/dbraw/zinc/67/98/38/366679838.db2.gz HMZRVKMBZYEDNO-STQMWFEESA-N 0 3 233.359 3.052 20 0 BGADHN CC1(C)CC(CNCc2ccc3c(n2)CCC3)C1 ZINC000578962739 366681331 /nfs/dbraw/zinc/68/13/31/366681331.db2.gz ASYXORLKPDEAGR-UHFFFAOYSA-N 0 3 244.382 3.096 20 0 BGADHN CCCCN(Cc1ccc2c(n1)CCC2)C1CC1 ZINC000578971616 366682855 /nfs/dbraw/zinc/68/28/55/366682855.db2.gz MQQUMZRCAVDKGF-UHFFFAOYSA-N 0 3 244.382 3.335 20 0 BGADHN CN(Cc1cocn1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000578980564 366684135 /nfs/dbraw/zinc/68/41/35/366684135.db2.gz KUZLCROADFMJBY-CHWSQXEVSA-N 0 3 236.359 3.321 20 0 BGADHN CN(Cc1cocn1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000578980567 366684561 /nfs/dbraw/zinc/68/45/61/366684561.db2.gz KUZLCROADFMJBY-OLZOCXBDSA-N 0 3 236.359 3.321 20 0 BGADHN CN(Cc1cocn1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000578980568 366684509 /nfs/dbraw/zinc/68/45/09/366684509.db2.gz KUZLCROADFMJBY-QWHCGFSZSA-N 0 3 236.359 3.321 20 0 BGADHN CN(Cc1cocn1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000578980569 366684252 /nfs/dbraw/zinc/68/42/52/366684252.db2.gz KUZLCROADFMJBY-STQMWFEESA-N 0 3 236.359 3.321 20 0 BGADHN C[C@@H](N[C@@H]1CC=CCC1)c1cn2ccccc2n1 ZINC000579005197 366692336 /nfs/dbraw/zinc/69/23/36/366692336.db2.gz SCENYKKECIPRKL-CHWSQXEVSA-N 0 3 241.338 3.094 20 0 BGADHN C[C@@H](N[C@H]1CC=CCC1)c1cn2ccccc2n1 ZINC000579005198 366692525 /nfs/dbraw/zinc/69/25/25/366692525.db2.gz SCENYKKECIPRKL-OLZOCXBDSA-N 0 3 241.338 3.094 20 0 BGADHN C[C@H](N[C@@H]1CC=CCC1)c1cn2ccccc2n1 ZINC000579005199 366692320 /nfs/dbraw/zinc/69/23/20/366692320.db2.gz SCENYKKECIPRKL-QWHCGFSZSA-N 0 3 241.338 3.094 20 0 BGADHN C[C@H](N[C@H]1CC=CCC1)c1cn2ccccc2n1 ZINC000579005200 366692757 /nfs/dbraw/zinc/69/27/57/366692757.db2.gz SCENYKKECIPRKL-STQMWFEESA-N 0 3 241.338 3.094 20 0 BGADHN Cc1ncncc1[C@H](C)NC1CC(C(C)(C)C)C1 ZINC000579024407 366698281 /nfs/dbraw/zinc/69/82/81/366698281.db2.gz MZWVBCUIUXZCJS-HIFPTAJRSA-N 0 3 247.386 3.260 20 0 BGADHN Cc1ncncc1[C@@H](C)NC1CC(C(C)(C)C)C1 ZINC000579024408 366698796 /nfs/dbraw/zinc/69/87/96/366698796.db2.gz MZWVBCUIUXZCJS-PNESKVBLSA-N 0 3 247.386 3.260 20 0 BGADHN CO[C@H](C)CN(C)C/C(C)=C\c1ccccc1 ZINC000579041308 366701025 /nfs/dbraw/zinc/70/10/25/366701025.db2.gz JQWUAUCOBBGOGP-QLKUMGTLSA-N 0 3 233.355 3.057 20 0 BGADHN CO[C@@H](C)CN(C)C/C(C)=C\c1ccccc1 ZINC000579041309 366700855 /nfs/dbraw/zinc/70/08/55/366700855.db2.gz JQWUAUCOBBGOGP-ZVHGMHCTSA-N 0 3 233.355 3.057 20 0 BGADHN CC1(C)CCN1Cc1cc2ccc(F)cc2[nH]1 ZINC000579064581 366703134 /nfs/dbraw/zinc/70/31/34/366703134.db2.gz NBOKQXIHZTWJOD-UHFFFAOYSA-N 0 3 232.302 3.291 20 0 BGADHN CCC(C)(C)[C@H](C)NCc1cnc(C2CC2)o1 ZINC000579077758 366706532 /nfs/dbraw/zinc/70/65/32/366706532.db2.gz YTCRTKLJOGDBCP-JTQLQIEISA-N 0 3 236.359 3.466 20 0 BGADHN CCC(C)(C)[C@@H](C)NCc1cnc(C2CC2)o1 ZINC000579077759 366703215 /nfs/dbraw/zinc/70/32/15/366703215.db2.gz YTCRTKLJOGDBCP-SNVBAGLBSA-N 0 3 236.359 3.466 20 0 BGADHN CC(C)CN(Cc1ccc2c(n1)CCC2)C1CC1 ZINC000579088654 366707690 /nfs/dbraw/zinc/70/76/90/366707690.db2.gz GEMATCMAJZOMSI-UHFFFAOYSA-N 0 3 244.382 3.191 20 0 BGADHN C[C@@H](NCC(C)(C)c1cccnc1)c1ccoc1 ZINC000579093530 366707988 /nfs/dbraw/zinc/70/79/88/366707988.db2.gz LYRCUBDDPWKCPR-GFCCVEGCSA-N 0 3 244.338 3.303 20 0 BGADHN C[C@H](NCC(C)(C)c1cccnc1)c1ccoc1 ZINC000579093531 366707886 /nfs/dbraw/zinc/70/78/86/366707886.db2.gz LYRCUBDDPWKCPR-LBPRGKRZSA-N 0 3 244.338 3.303 20 0 BGADHN C[C@H](N[C@H]1CCC[C@@H](F)C1)c1cncs1 ZINC000579108594 366712320 /nfs/dbraw/zinc/71/23/20/366712320.db2.gz GEMQZFVAIVIMIY-AEJSXWLSSA-N 0 3 228.336 3.074 20 0 BGADHN C[C@H](N[C@H]1CCC[C@H](F)C1)c1cncs1 ZINC000579108595 366711627 /nfs/dbraw/zinc/71/16/27/366711627.db2.gz GEMQZFVAIVIMIY-GUBZILKMSA-N 0 3 228.336 3.074 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@@H](F)C1)c1cncs1 ZINC000579108596 366711494 /nfs/dbraw/zinc/71/14/94/366711494.db2.gz GEMQZFVAIVIMIY-IVZWLZJFSA-N 0 3 228.336 3.074 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@H](F)C1)c1cncs1 ZINC000579108597 366712405 /nfs/dbraw/zinc/71/24/05/366712405.db2.gz GEMQZFVAIVIMIY-LPEHRKFASA-N 0 3 228.336 3.074 20 0 BGADHN N[C@H]1CCCc2cn(CC3CCCCCC3)nc21 ZINC000579110932 366713781 /nfs/dbraw/zinc/71/37/81/366713781.db2.gz LONHRBGMMOUHJH-AWEZNQCLSA-N 0 3 247.386 3.190 20 0 BGADHN N[C@@H]1CCCc2cn(CC3CCCCCC3)nc21 ZINC000579110933 366713821 /nfs/dbraw/zinc/71/38/21/366713821.db2.gz LONHRBGMMOUHJH-CQSZACIVSA-N 0 3 247.386 3.190 20 0 BGADHN CCC1(CNCc2nc(C)c(C)[nH]2)CCCCC1 ZINC000579130721 366722352 /nfs/dbraw/zinc/72/23/52/366722352.db2.gz RZYGVKNMDZLFBP-UHFFFAOYSA-N 0 3 249.402 3.477 20 0 BGADHN CC(C)N(Cc1cnccn1)C1CCCCC1 ZINC000579203537 366733156 /nfs/dbraw/zinc/73/31/56/366733156.db2.gz REDNONPEIGYUSK-UHFFFAOYSA-N 0 3 233.359 3.020 20 0 BGADHN CCN(Cc1ccc2c(n1)CCC2)CC(C)(C)C ZINC000579204208 366732355 /nfs/dbraw/zinc/73/23/55/366732355.db2.gz YICTVTYABAUJCA-UHFFFAOYSA-N 0 3 246.398 3.438 20 0 BGADHN Cc1ccccc1C[C@@H](C)N(C)Cc1ccno1 ZINC000579219338 366735777 /nfs/dbraw/zinc/73/57/77/366735777.db2.gz ZHGYMHHMYKJZKO-CYBMUJFWSA-N 0 3 244.338 3.046 20 0 BGADHN Cc1ccccc1C[C@H](C)N(C)Cc1ccno1 ZINC000579219339 366733198 /nfs/dbraw/zinc/73/31/98/366733198.db2.gz ZHGYMHHMYKJZKO-ZDUSSCGKSA-N 0 3 244.338 3.046 20 0 BGADHN C[C@@H](N[C@@H]1C[C@H]1C1CCC1)c1ccoc1 ZINC000579221615 366734942 /nfs/dbraw/zinc/73/49/42/366734942.db2.gz FXEWFCTXBAYMAC-JIMOISOXSA-N 0 3 205.301 3.119 20 0 BGADHN C[C@H](N[C@@H]1C[C@H]1C1CCC1)c1ccoc1 ZINC000579221616 366735512 /nfs/dbraw/zinc/73/55/12/366735512.db2.gz FXEWFCTXBAYMAC-TVYUQYBPSA-N 0 3 205.301 3.119 20 0 BGADHN Cc1cnc(CCN2CCC(C)=C(C)C2)c(C)c1 ZINC000579225993 366738790 /nfs/dbraw/zinc/73/87/90/366738790.db2.gz XDPQZBVJTZSMKK-UHFFFAOYSA-N 0 3 244.382 3.283 20 0 BGADHN CC[C@@H](C)NCc1nc(C(C)C)n2ccccc12 ZINC000579239469 366743277 /nfs/dbraw/zinc/74/32/77/366743277.db2.gz YJZPORPAGYXELE-GFCCVEGCSA-N 0 3 245.370 3.346 20 0 BGADHN CC[C@H](C)NCc1nc(C(C)C)n2ccccc12 ZINC000579239470 366743570 /nfs/dbraw/zinc/74/35/70/366743570.db2.gz YJZPORPAGYXELE-LBPRGKRZSA-N 0 3 245.370 3.346 20 0 BGADHN C[C@H](CCc1ccccc1)NC1(CF)CCC1 ZINC000579240923 366743787 /nfs/dbraw/zinc/74/37/87/366743787.db2.gz FVBXDEIEUDFSOA-CYBMUJFWSA-N 0 3 235.346 3.490 20 0 BGADHN C[C@@H](CCc1ccccc1)NC1(CF)CCC1 ZINC000579240935 366743798 /nfs/dbraw/zinc/74/37/98/366743798.db2.gz FVBXDEIEUDFSOA-ZDUSSCGKSA-N 0 3 235.346 3.490 20 0 BGADHN Fc1ccc(/C=C\CN2CCCCC2)cc1F ZINC000579290198 366754151 /nfs/dbraw/zinc/75/41/51/366754151.db2.gz HYPDSIMWBMGISE-PLNGDYQASA-N 0 3 237.293 3.464 20 0 BGADHN Fc1ccc(/C=C/CN2CCCCC2)cc1F ZINC000579290199 366754072 /nfs/dbraw/zinc/75/40/72/366754072.db2.gz HYPDSIMWBMGISE-SNAWJCMRSA-N 0 3 237.293 3.464 20 0 BGADHN Cc1cc(OCCOC(C)(C)C)c(C)c(C)n1 ZINC000579300120 366755652 /nfs/dbraw/zinc/75/56/52/366755652.db2.gz VZSZCYMWSGHGHH-UHFFFAOYSA-N 0 3 237.343 3.201 20 0 BGADHN CC[C@H]1CCC[C@@H]1NCc1cnc(C2CC2)o1 ZINC000579317812 366758324 /nfs/dbraw/zinc/75/83/24/366758324.db2.gz LBQBQXYERWBFAQ-GWCFXTLKSA-N 0 3 234.343 3.220 20 0 BGADHN CC[C@H]1CCC[C@H]1NCc1cnc(C2CC2)o1 ZINC000579317813 366758219 /nfs/dbraw/zinc/75/82/19/366758219.db2.gz LBQBQXYERWBFAQ-GXFFZTMASA-N 0 3 234.343 3.220 20 0 BGADHN CC[C@@H]1CCC[C@@H]1NCc1cnc(C2CC2)o1 ZINC000579317814 366757957 /nfs/dbraw/zinc/75/79/57/366757957.db2.gz LBQBQXYERWBFAQ-MFKMUULPSA-N 0 3 234.343 3.220 20 0 BGADHN CC[C@@H]1CCC[C@H]1NCc1cnc(C2CC2)o1 ZINC000579317815 366758556 /nfs/dbraw/zinc/75/85/56/366758556.db2.gz LBQBQXYERWBFAQ-ZWNOBZJWSA-N 0 3 234.343 3.220 20 0 BGADHN CC(C)C[C@@H](C)N[C@H](C)c1cn2ccccc2n1 ZINC000579334952 366760953 /nfs/dbraw/zinc/76/09/53/366760953.db2.gz CKKLBJNILVIINY-CHWSQXEVSA-N 0 3 245.370 3.420 20 0 BGADHN CC(C)C[C@@H](C)N[C@@H](C)c1cn2ccccc2n1 ZINC000579334956 366760795 /nfs/dbraw/zinc/76/07/95/366760795.db2.gz CKKLBJNILVIINY-OLZOCXBDSA-N 0 3 245.370 3.420 20 0 BGADHN CC(C)C[C@H](C)N[C@H](C)c1cn2ccccc2n1 ZINC000579334957 366760541 /nfs/dbraw/zinc/76/05/41/366760541.db2.gz CKKLBJNILVIINY-QWHCGFSZSA-N 0 3 245.370 3.420 20 0 BGADHN CC(C)C[C@H](C)N[C@@H](C)c1cn2ccccc2n1 ZINC000579334958 366760580 /nfs/dbraw/zinc/76/05/80/366760580.db2.gz CKKLBJNILVIINY-STQMWFEESA-N 0 3 245.370 3.420 20 0 BGADHN Cc1ccc(CC[C@@H](C)NCc2ccno2)cc1 ZINC000579354772 366768221 /nfs/dbraw/zinc/76/82/21/366768221.db2.gz LBIKAMKFARCMMR-CYBMUJFWSA-N 0 3 244.338 3.094 20 0 BGADHN Cc1ccc(CC[C@H](C)NCc2ccno2)cc1 ZINC000579354779 366768211 /nfs/dbraw/zinc/76/82/11/366768211.db2.gz LBIKAMKFARCMMR-ZDUSSCGKSA-N 0 3 244.338 3.094 20 0 BGADHN CC(C)(C)C1CC(NC2(CF)CCC2)C1 ZINC000579355482 366768194 /nfs/dbraw/zinc/76/81/94/366768194.db2.gz KLAJKHCXNWIESE-UHFFFAOYSA-N 0 3 213.340 3.293 20 0 BGADHN Cc1nc(CNCC(C)(C)C2=CCCC2)[nH]c1C ZINC000579377668 366775742 /nfs/dbraw/zinc/77/57/42/366775742.db2.gz VXKQIBDWHDWFFE-UHFFFAOYSA-N 0 3 247.386 3.253 20 0 BGADHN CCc1cc(CN[C@@H](CC)C2CCCC2)on1 ZINC000579434424 366793286 /nfs/dbraw/zinc/79/32/86/366793286.db2.gz FHWPRDJAXVFXJJ-AWEZNQCLSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1cc(CN[C@H](CC)C2CCCC2)on1 ZINC000579434425 366793269 /nfs/dbraw/zinc/79/32/69/366793269.db2.gz FHWPRDJAXVFXJJ-CQSZACIVSA-N 0 3 236.359 3.295 20 0 BGADHN C[C@@H]1C[C@H](C(C)(C)C)CCN1Cc1cnccn1 ZINC000579445177 366801033 /nfs/dbraw/zinc/80/10/33/366801033.db2.gz RXKQGUZEYAMGQL-CHWSQXEVSA-N 0 3 247.386 3.123 20 0 BGADHN C[C@@H]1C[C@@H](C(C)(C)C)CCN1Cc1cnccn1 ZINC000579445178 366801757 /nfs/dbraw/zinc/80/17/57/366801757.db2.gz RXKQGUZEYAMGQL-OLZOCXBDSA-N 0 3 247.386 3.123 20 0 BGADHN C[C@H]1C[C@H](C(C)(C)C)CCN1Cc1cnccn1 ZINC000579445179 366801129 /nfs/dbraw/zinc/80/11/29/366801129.db2.gz RXKQGUZEYAMGQL-QWHCGFSZSA-N 0 3 247.386 3.123 20 0 BGADHN C[C@H]1C[C@@H](C(C)(C)C)CCN1Cc1cnccn1 ZINC000579445180 366800989 /nfs/dbraw/zinc/80/09/89/366800989.db2.gz RXKQGUZEYAMGQL-STQMWFEESA-N 0 3 247.386 3.123 20 0 BGADHN CCc1ccc(CNC2(CF)CCC2)cc1 ZINC000579472646 366819611 /nfs/dbraw/zinc/81/96/11/366819611.db2.gz GVGGGWIFVOCRCA-UHFFFAOYSA-N 0 3 221.319 3.231 20 0 BGADHN CCCN(Cc1c(C)nsc1C)C(C)C ZINC000579489901 366830659 /nfs/dbraw/zinc/83/06/59/366830659.db2.gz HJDLCXQTFXATAI-UHFFFAOYSA-N 0 3 226.389 3.380 20 0 BGADHN CCCN(Cc1cccc(O)c1OC)C(C)C ZINC000579494433 366833886 /nfs/dbraw/zinc/83/38/86/366833886.db2.gz OAQLGMOMLNDRHC-UHFFFAOYSA-N 0 3 237.343 3.021 20 0 BGADHN CC1=CCCN(C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000579498469 366835148 /nfs/dbraw/zinc/83/51/48/366835148.db2.gz VAIVCMVCJXDONA-AWEZNQCLSA-N 0 3 235.371 3.130 20 0 BGADHN CC1=CCCN(C[C@H]2CCC3(CCCC3)O2)C1 ZINC000579498470 366834817 /nfs/dbraw/zinc/83/48/17/366834817.db2.gz VAIVCMVCJXDONA-CQSZACIVSA-N 0 3 235.371 3.130 20 0 BGADHN Fc1ccc(F)c2c1CC[C@H]2NC1(C2CC2)CC1 ZINC000579576059 366881965 /nfs/dbraw/zinc/88/19/65/366881965.db2.gz KOIVDQIXBXUCSK-CYBMUJFWSA-N 0 3 249.304 3.484 20 0 BGADHN Fc1ccc(F)c2c1CC[C@@H]2NC1(C2CC2)CC1 ZINC000579576060 366882744 /nfs/dbraw/zinc/88/27/44/366882744.db2.gz KOIVDQIXBXUCSK-ZDUSSCGKSA-N 0 3 249.304 3.484 20 0 BGADHN Cc1ccccc1C[C@@H](C)NC1(CF)CCC1 ZINC000579591376 366891140 /nfs/dbraw/zinc/89/11/40/366891140.db2.gz MWBFOLLGJSDADL-CYBMUJFWSA-N 0 3 235.346 3.408 20 0 BGADHN Cc1ccccc1C[C@H](C)NC1(CF)CCC1 ZINC000579591377 366891417 /nfs/dbraw/zinc/89/14/17/366891417.db2.gz MWBFOLLGJSDADL-ZDUSSCGKSA-N 0 3 235.346 3.408 20 0 BGADHN C[C@@H](Cc1ccsc1)NC1(CF)CCC1 ZINC000579594110 366897407 /nfs/dbraw/zinc/89/74/07/366897407.db2.gz ZPAUSWYGLJEKRW-JTQLQIEISA-N 0 3 227.348 3.161 20 0 BGADHN C[C@H](Cc1ccsc1)NC1(CF)CCC1 ZINC000579594111 366897317 /nfs/dbraw/zinc/89/73/17/366897317.db2.gz ZPAUSWYGLJEKRW-SNVBAGLBSA-N 0 3 227.348 3.161 20 0 BGADHN CC[C@@H](Cc1ccccc1)NC1(CF)CCC1 ZINC000579594422 366897089 /nfs/dbraw/zinc/89/70/89/366897089.db2.gz OCPCICXVFHVLGC-AWEZNQCLSA-N 0 3 235.346 3.490 20 0 BGADHN CC[C@H](Cc1ccccc1)NC1(CF)CCC1 ZINC000579594423 366898451 /nfs/dbraw/zinc/89/84/51/366898451.db2.gz OCPCICXVFHVLGC-CQSZACIVSA-N 0 3 235.346 3.490 20 0 BGADHN CCCN(Cc1cnc2c(C)cccn12)C(C)C ZINC000579614298 366909715 /nfs/dbraw/zinc/90/97/15/366909715.db2.gz YMOKJJYQJCKACV-UHFFFAOYSA-N 0 3 245.370 3.263 20 0 BGADHN CN(C)Cc1ccc(NCC2(C)CC2)c(F)c1 ZINC000579686616 366978233 /nfs/dbraw/zinc/97/82/33/366978233.db2.gz HZVHWOSPIBLKAE-UHFFFAOYSA-N 0 3 236.334 3.099 20 0 BGADHN Cc1ccc2c(c1)[C@H](N[C@@H]1C[C@H](C)[C@@H]1C)CO2 ZINC000579699225 366982952 /nfs/dbraw/zinc/98/29/52/366982952.db2.gz AVBWURMUQACCDB-CDGCEXEKSA-N 0 3 231.339 3.063 20 0 BGADHN Cc1ccc2c(c1)[C@H](N[C@@H]1C[C@@H](C)[C@H]1C)CO2 ZINC000579699235 366983196 /nfs/dbraw/zinc/98/31/96/366983196.db2.gz AVBWURMUQACCDB-HBJVGIJOSA-N 0 3 231.339 3.063 20 0 BGADHN Cc1ccc2c(c1)[C@H](N[C@@H]1C[C@H](C)[C@H]1C)CO2 ZINC000579699236 366982442 /nfs/dbraw/zinc/98/24/42/366982442.db2.gz AVBWURMUQACCDB-OIMNJJJWSA-N 0 3 231.339 3.063 20 0 BGADHN Cc1ccc2c(c1)[C@H](N[C@@H]1C[C@@H](C)[C@@H]1C)CO2 ZINC000579699238 366982748 /nfs/dbraw/zinc/98/27/48/366982748.db2.gz AVBWURMUQACCDB-ZMJPVWNMSA-N 0 3 231.339 3.063 20 0 BGADHN CN(Cc1cnc(-c2ccccc2)[nH]1)C(C)(C)C ZINC000579714797 366989698 /nfs/dbraw/zinc/98/96/98/366989698.db2.gz YDFHFIMHSQYJKH-UHFFFAOYSA-N 0 3 243.354 3.307 20 0 BGADHN CN(Cc1c[nH]c(-c2ccccc2)n1)C(C)(C)C ZINC000579714797 366989693 /nfs/dbraw/zinc/98/96/93/366989693.db2.gz YDFHFIMHSQYJKH-UHFFFAOYSA-N 0 3 243.354 3.307 20 0 BGADHN CC[C@@H]1CN(C[C@@H]2CC(C)=C[C@H](C)C2)CCO1 ZINC000579726348 366993476 /nfs/dbraw/zinc/99/34/76/366993476.db2.gz SMEMPFLNKQVAFG-AEGPPILISA-N 0 3 237.387 3.090 20 0 BGADHN CC[C@@H]1CN(C[C@H]2CC(C)=C[C@@H](C)C2)CCO1 ZINC000579726349 366993591 /nfs/dbraw/zinc/99/35/91/366993591.db2.gz SMEMPFLNKQVAFG-BPLDGKMQSA-N 0 3 237.387 3.090 20 0 BGADHN CC[C@@H]1CN(C[C@H]2CC(C)=C[C@H](C)C2)CCO1 ZINC000579726350 366993679 /nfs/dbraw/zinc/99/36/79/366993679.db2.gz SMEMPFLNKQVAFG-NWANDNLSSA-N 0 3 237.387 3.090 20 0 BGADHN CC[C@@H]1CN(C[C@@H]2CC(C)=C[C@@H](C)C2)CCO1 ZINC000579726351 366993903 /nfs/dbraw/zinc/99/39/03/366993903.db2.gz SMEMPFLNKQVAFG-VHDGCEQUSA-N 0 3 237.387 3.090 20 0 BGADHN Cc1cc(OC[C@@H]2CCO[C@H](C)C2)c(C)c(C)n1 ZINC000579732866 366997802 /nfs/dbraw/zinc/99/78/02/366997802.db2.gz AJPUBVNFAJNGRG-BXUZGUMPSA-N 0 3 249.354 3.201 20 0 BGADHN Cc1cc(OC[C@H]2CCO[C@@H](C)C2)c(C)c(C)n1 ZINC000579732867 366997882 /nfs/dbraw/zinc/99/78/82/366997882.db2.gz AJPUBVNFAJNGRG-FZMZJTMJSA-N 0 3 249.354 3.201 20 0 BGADHN Cc1cc(OC[C@H]2CCO[C@H](C)C2)c(C)c(C)n1 ZINC000579732868 366998064 /nfs/dbraw/zinc/99/80/64/366998064.db2.gz AJPUBVNFAJNGRG-RISCZKNCSA-N 0 3 249.354 3.201 20 0 BGADHN Cc1cc(OC[C@@H]2CCO[C@@H](C)C2)c(C)c(C)n1 ZINC000579732869 366998031 /nfs/dbraw/zinc/99/80/31/366998031.db2.gz AJPUBVNFAJNGRG-SMDDNHRTSA-N 0 3 249.354 3.201 20 0 BGADHN CCCN(Cc1c[nH]nc1C(C)(C)C)C(C)C ZINC000579733952 366997893 /nfs/dbraw/zinc/99/78/93/366997893.db2.gz RYORXUFBXFCLAN-UHFFFAOYSA-N 0 3 237.391 3.328 20 0 BGADHN CCc1nocc1CNCC(C(C)C)C(C)C ZINC000579738733 366999946 /nfs/dbraw/zinc/99/99/46/366999946.db2.gz XCSGXVOWNHWZPY-UHFFFAOYSA-N 0 3 238.375 3.255 20 0 BGADHN CCc1ccc(CNCCc2ccc(C)o2)o1 ZINC000579746355 366999237 /nfs/dbraw/zinc/99/92/37/366999237.db2.gz INFCRDYIZMNYQA-UHFFFAOYSA-N 0 3 233.311 3.076 20 0 BGADHN Cc1ccc(F)c(CN(C)CC2(C)CC2)c1 ZINC000579788119 367005440 /nfs/dbraw/zinc/00/54/40/367005440.db2.gz CLHFNWPORBDZOG-UHFFFAOYSA-N 0 3 221.319 3.366 20 0 BGADHN CCC(C)(C)[C@@H](C)NCc1ncccc1N(C)C ZINC000579799501 367011068 /nfs/dbraw/zinc/01/10/68/367011068.db2.gz RWGMMNUDIREWNF-GFCCVEGCSA-N 0 3 249.402 3.062 20 0 BGADHN CCC(C)(C)[C@H](C)NCc1ncccc1N(C)C ZINC000579799502 367011109 /nfs/dbraw/zinc/01/11/09/367011109.db2.gz RWGMMNUDIREWNF-LBPRGKRZSA-N 0 3 249.402 3.062 20 0 BGADHN CC(C)(C)O[C@@H]1C[C@H](NCC2(F)CC2)C1(C)C ZINC000579810629 367017365 /nfs/dbraw/zinc/01/73/65/367017365.db2.gz ANRWGKCYTYMTIZ-WDEREUQCSA-N 0 3 243.366 3.060 20 0 BGADHN Cc1ccc([C@H](N[C@@H]2CO[C@@H](C)C2)C2CCC2)o1 ZINC000579832489 367036203 /nfs/dbraw/zinc/03/62/03/367036203.db2.gz FEHZUQIKARKWCG-CORIIIEPSA-N 0 3 249.354 3.196 20 0 BGADHN Cc1ccc([C@H](N[C@H]2CO[C@@H](C)C2)C2CCC2)o1 ZINC000579832490 367036070 /nfs/dbraw/zinc/03/60/70/367036070.db2.gz FEHZUQIKARKWCG-NJZAAPMLSA-N 0 3 249.354 3.196 20 0 BGADHN Cc1ccc([C@H](N[C@@H]2CO[C@H](C)C2)C2CCC2)o1 ZINC000579832491 367036370 /nfs/dbraw/zinc/03/63/70/367036370.db2.gz FEHZUQIKARKWCG-OSAQELSMSA-N 0 3 249.354 3.196 20 0 BGADHN Cc1ccc([C@H](N[C@H]2CO[C@H](C)C2)C2CCC2)o1 ZINC000579832492 367037837 /nfs/dbraw/zinc/03/78/37/367037837.db2.gz FEHZUQIKARKWCG-UXIGCNINSA-N 0 3 249.354 3.196 20 0 BGADHN Cc1cc(C)c(CN[C@H]2C[C@@H]2C(F)F)c(C)c1 ZINC000579877258 367060531 /nfs/dbraw/zinc/06/05/31/367060531.db2.gz FLONIJVNTYHQJZ-AAEUAGOBSA-N 0 3 239.309 3.355 20 0 BGADHN COc1ccc(CN[C@@H]2CC=C(C)CC2)c(F)c1 ZINC000579934520 367090076 /nfs/dbraw/zinc/09/00/76/367090076.db2.gz JKIGZPAJWRUDQW-CYBMUJFWSA-N 0 3 249.329 3.423 20 0 BGADHN COc1ccc(CN[C@H]2CC=C(C)CC2)c(F)c1 ZINC000579934523 367090195 /nfs/dbraw/zinc/09/01/95/367090195.db2.gz JKIGZPAJWRUDQW-ZDUSSCGKSA-N 0 3 249.329 3.423 20 0 BGADHN c1nc(C2CCC2)sc1CN[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000579973646 367111593 /nfs/dbraw/zinc/11/15/93/367111593.db2.gz GJLGNKUIEODTIW-CLLJXQQHSA-N 0 3 248.395 3.299 20 0 BGADHN c1nc(C2CCC2)sc1CN[C@H]1[C@@H]2CCC[C@@H]21 ZINC000579973647 367111538 /nfs/dbraw/zinc/11/15/38/367111538.db2.gz GJLGNKUIEODTIW-ITGUQSILSA-N 0 3 248.395 3.299 20 0 BGADHN CC(C)n1ccc(CN[C@@H]2CCC[C@H]3C[C@]32C)n1 ZINC000579974274 367110999 /nfs/dbraw/zinc/11/09/99/367110999.db2.gz JSOPDMFKJCONRI-NWANDNLSSA-N 0 3 247.386 3.132 20 0 BGADHN CC(C)n1ccc(CN[C@@H]2CCC[C@@H]3C[C@@]32C)n1 ZINC000579974275 367111077 /nfs/dbraw/zinc/11/10/77/367111077.db2.gz JSOPDMFKJCONRI-YUELXQCFSA-N 0 3 247.386 3.132 20 0 BGADHN Cc1cc(OCc2cnccc2C)c(C)c(C)n1 ZINC000579977464 367113934 /nfs/dbraw/zinc/11/39/34/367113934.db2.gz DFIHJYWYTYEKJP-UHFFFAOYSA-N 0 3 242.322 3.289 20 0 BGADHN CC[C@@H](NCc1nc(C)c(C)[nH]1)C1CCCC1 ZINC000579980227 367115619 /nfs/dbraw/zinc/11/56/19/367115619.db2.gz PMPKNIZMCTZGIR-CYBMUJFWSA-N 0 3 235.375 3.085 20 0 BGADHN CC[C@H](NCc1nc(C)c(C)[nH]1)C1CCCC1 ZINC000579980228 367115684 /nfs/dbraw/zinc/11/56/84/367115684.db2.gz PMPKNIZMCTZGIR-ZDUSSCGKSA-N 0 3 235.375 3.085 20 0 BGADHN COc1cccc([C@@H](C)N[C@@H]2CCC[C@@H]2F)c1 ZINC000579981221 367115585 /nfs/dbraw/zinc/11/55/85/367115585.db2.gz DSHOFFSFHIDLIX-DDTOSNHZSA-N 0 3 237.318 3.236 20 0 BGADHN F[C@@]1(c2ccccc2)CCN(CCC2CC2)C1 ZINC000579982803 367115608 /nfs/dbraw/zinc/11/56/08/367115608.db2.gz WMPZBRJPRLCHOO-HNNXBMFYSA-N 0 3 233.330 3.357 20 0 BGADHN F[C@]1(c2ccccc2)CCN(CCC2CC2)C1 ZINC000579982804 367115788 /nfs/dbraw/zinc/11/57/88/367115788.db2.gz WMPZBRJPRLCHOO-OAHLLOKOSA-N 0 3 233.330 3.357 20 0 BGADHN Cc1cccc(CCN(C)[C@H](C)c2ccco2)n1 ZINC000580068566 346508348 /nfs/dbraw/zinc/50/83/48/346508348.db2.gz NFLNLXCWOKIKLH-CYBMUJFWSA-N 0 3 244.338 3.219 20 0 BGADHN Cc1cccc(CCN(C)[C@@H](C)c2ccco2)n1 ZINC000580068567 346508005 /nfs/dbraw/zinc/50/80/05/346508005.db2.gz NFLNLXCWOKIKLH-ZDUSSCGKSA-N 0 3 244.338 3.219 20 0 BGADHN CCc1cccc(CNCc2ccc(O)cc2)c1 ZINC000580082997 346515180 /nfs/dbraw/zinc/51/51/80/346515180.db2.gz BHUZPICRAXFYSN-UHFFFAOYSA-N 0 3 241.334 3.244 20 0 BGADHN CC[C@@H](NCc1noc2ccccc12)C(C)C ZINC000580094817 346521352 /nfs/dbraw/zinc/52/13/52/346521352.db2.gz WWZDDDUXILMJMX-GFCCVEGCSA-N 0 3 232.327 3.352 20 0 BGADHN CC[C@H](NCc1noc2ccccc12)C(C)C ZINC000580094818 346521492 /nfs/dbraw/zinc/52/14/92/346521492.db2.gz WWZDDDUXILMJMX-LBPRGKRZSA-N 0 3 232.327 3.352 20 0 BGADHN CCC[C@@H](NCc1nc(C)c(C)[nH]1)C(C)(C)C ZINC000580096498 346521854 /nfs/dbraw/zinc/52/18/54/346521854.db2.gz GYECZIJOAYSFPX-GFCCVEGCSA-N 0 3 237.391 3.331 20 0 BGADHN CCC[C@H](NCc1nc(C)c(C)[nH]1)C(C)(C)C ZINC000580096499 346522271 /nfs/dbraw/zinc/52/22/71/346522271.db2.gz GYECZIJOAYSFPX-LBPRGKRZSA-N 0 3 237.391 3.331 20 0 BGADHN C[C@H](Cc1ccc(F)cc1)N[C@@H]1CCC[C@@H]1F ZINC000580102442 346527827 /nfs/dbraw/zinc/52/78/27/346527827.db2.gz HCPVUSNKCYFGSK-DDTOSNHZSA-N 0 3 239.309 3.237 20 0 BGADHN C[C@@H](Cc1ccc(F)cc1)N[C@@H]1CCC[C@@H]1F ZINC000580102445 346527451 /nfs/dbraw/zinc/52/74/51/346527451.db2.gz HCPVUSNKCYFGSK-LEWSCRJBSA-N 0 3 239.309 3.237 20 0 BGADHN Cc1nsc(C)c1CN1C[C@H](C)C[C@H](C)C1 ZINC000580150778 346563395 /nfs/dbraw/zinc/56/33/95/346563395.db2.gz GCPJKHAQKPBOMS-AOOOYVTPSA-N 0 3 238.400 3.238 20 0 BGADHN Cc1nsc(C)c1CN1C[C@H](C)C[C@@H](C)C1 ZINC000580150779 346563400 /nfs/dbraw/zinc/56/34/00/346563400.db2.gz GCPJKHAQKPBOMS-NXEZZACHSA-N 0 3 238.400 3.238 20 0 BGADHN Cc1nsc(C)c1CN1C[C@@H](C)C[C@H](C)C1 ZINC000580150780 346563492 /nfs/dbraw/zinc/56/34/92/346563492.db2.gz GCPJKHAQKPBOMS-UWVGGRQHSA-N 0 3 238.400 3.238 20 0 BGADHN CCO[C@@H]1C[C@H]1N[C@H](C)c1ccc2c(c1)CCC2 ZINC000580153306 346569294 /nfs/dbraw/zinc/56/92/94/346569294.db2.gz JYHPXGLQHZTQCR-HFBAOOFYSA-N 0 3 245.366 3.003 20 0 BGADHN CCO[C@@H]1C[C@H]1N[C@@H](C)c1ccc2c(c1)CCC2 ZINC000580153307 346567109 /nfs/dbraw/zinc/56/71/09/346567109.db2.gz JYHPXGLQHZTQCR-IUIKQTSFSA-N 0 3 245.366 3.003 20 0 BGADHN CCO[C@@H]1C[C@@H]1N[C@@H](C)c1ccc2c(c1)CCC2 ZINC000580153308 346567357 /nfs/dbraw/zinc/56/73/57/346567357.db2.gz JYHPXGLQHZTQCR-KNXALSJPSA-N 0 3 245.366 3.003 20 0 BGADHN CCO[C@@H]1C[C@@H]1N[C@H](C)c1ccc2c(c1)CCC2 ZINC000580153309 346566903 /nfs/dbraw/zinc/56/69/03/346566903.db2.gz JYHPXGLQHZTQCR-XFBWCDHKSA-N 0 3 245.366 3.003 20 0 BGADHN Fc1cccc2c1CC[C@H]2N[C@@H]1CCC[C@@H]1F ZINC000580174958 346602452 /nfs/dbraw/zinc/60/24/52/346602452.db2.gz XLAHOCSQFNTPDM-BFHYXJOUSA-N 0 3 237.293 3.293 20 0 BGADHN CC(C)c1cnc(CN[C@@H]2[C@@H]3CCC[C@@H]32)s1 ZINC000580217155 346705481 /nfs/dbraw/zinc/70/54/81/346705481.db2.gz UJVXNFMLLXPXOF-DDFAGTSDSA-N 0 3 236.384 3.155 20 0 BGADHN CCCCN1CC[C@@](F)(c2ccccc2)C1 ZINC000580217339 346703572 /nfs/dbraw/zinc/70/35/72/346703572.db2.gz CBMMBEDONKOUKF-AWEZNQCLSA-N 0 3 221.319 3.357 20 0 BGADHN CCCCN1CC[C@](F)(c2ccccc2)C1 ZINC000580217340 346703567 /nfs/dbraw/zinc/70/35/67/346703567.db2.gz CBMMBEDONKOUKF-CQSZACIVSA-N 0 3 221.319 3.357 20 0 BGADHN Cc1ccc(C)c([C@@H](C)N(C)C[C@H]2CCCO2)c1 ZINC000580218795 346711963 /nfs/dbraw/zinc/71/19/63/346711963.db2.gz XWURFOOBJSNHKQ-HUUCEWRRSA-N 0 3 247.382 3.475 20 0 BGADHN Cc1ccc(C)c([C@H](C)N(C)C[C@H]2CCCO2)c1 ZINC000580218796 346711970 /nfs/dbraw/zinc/71/19/70/346711970.db2.gz XWURFOOBJSNHKQ-LSDHHAIUSA-N 0 3 247.382 3.475 20 0 BGADHN C[C@H]1C[C@@H](N[C@H]2C[C@@H]2C(F)F)c2ccccc21 ZINC000580252984 346798455 /nfs/dbraw/zinc/79/84/55/346798455.db2.gz MMBQOOJKHOUJGX-KNDHEWATSA-N 0 3 237.293 3.478 20 0 BGADHN C[C@@H]1C[C@@H](N[C@H]2C[C@@H]2C(F)F)c2ccccc21 ZINC000580252986 346798316 /nfs/dbraw/zinc/79/83/16/346798316.db2.gz MMBQOOJKHOUJGX-NZBQSGDWSA-N 0 3 237.293 3.478 20 0 BGADHN C[C@H]1C[C@H](N[C@H]2C[C@@H]2C(F)F)c2ccccc21 ZINC000580252987 346798430 /nfs/dbraw/zinc/79/84/30/346798430.db2.gz MMBQOOJKHOUJGX-WTFGDDLMSA-N 0 3 237.293 3.478 20 0 BGADHN Cc1cc(C)cc(CN(C)Cc2cc[nH]c2)c1 ZINC000580275181 397828173 /nfs/dbraw/zinc/82/81/73/397828173.db2.gz XTLXVEQLCOAZFX-UHFFFAOYSA-N 0 3 228.339 3.264 20 0 BGADHN CCO[C@@H]1C[C@H]1N[C@H]1CCCCc2ccccc21 ZINC000580275635 346827995 /nfs/dbraw/zinc/82/79/95/346827995.db2.gz NCYZIFJVUMLIHJ-ARFHVFGLSA-N 0 3 245.366 3.221 20 0 BGADHN CCO[C@@H]1C[C@H]1N[C@@H]1CCCCc2ccccc21 ZINC000580275636 346828663 /nfs/dbraw/zinc/82/86/63/346828663.db2.gz NCYZIFJVUMLIHJ-BZUAXINKSA-N 0 3 245.366 3.221 20 0 BGADHN CCO[C@@H]1C[C@@H]1N[C@H]1CCCCc2ccccc21 ZINC000580275637 346828154 /nfs/dbraw/zinc/82/81/54/346828154.db2.gz NCYZIFJVUMLIHJ-HRCADAONSA-N 0 3 245.366 3.221 20 0 BGADHN CCO[C@@H]1C[C@@H]1N[C@@H]1CCCCc2ccccc21 ZINC000580275638 346828167 /nfs/dbraw/zinc/82/81/67/346828167.db2.gz NCYZIFJVUMLIHJ-OWCLPIDISA-N 0 3 245.366 3.221 20 0 BGADHN CCO[C@@H]1C[C@H]1N[C@H]1CC(C)(C)c2ccccc21 ZINC000580275706 346828420 /nfs/dbraw/zinc/82/84/20/346828420.db2.gz UFSYJTNOPZXCHS-QLFBSQMISA-N 0 3 245.366 3.176 20 0 BGADHN CCO[C@@H]1C[C@H]1N[C@@H]1CC(C)(C)c2ccccc21 ZINC000580275707 346828484 /nfs/dbraw/zinc/82/84/84/346828484.db2.gz UFSYJTNOPZXCHS-RBSFLKMASA-N 0 3 245.366 3.176 20 0 BGADHN CCO[C@@H]1C[C@@H]1N[C@@H]1CC(C)(C)c2ccccc21 ZINC000580275708 346828614 /nfs/dbraw/zinc/82/86/14/346828614.db2.gz UFSYJTNOPZXCHS-RRFJBIMHSA-N 0 3 245.366 3.176 20 0 BGADHN CCO[C@@H]1C[C@@H]1N[C@H]1CC(C)(C)c2ccccc21 ZINC000580275709 346828100 /nfs/dbraw/zinc/82/81/00/346828100.db2.gz UFSYJTNOPZXCHS-SOUVJXGZSA-N 0 3 245.366 3.176 20 0 BGADHN C[C@H](Cc1cccc(F)c1)N(C)CC1(F)CC1 ZINC000580291921 346860011 /nfs/dbraw/zinc/86/00/11/346860011.db2.gz SUBBSKJFWSDOKB-LLVKDONJSA-N 0 3 239.309 3.191 20 0 BGADHN C[C@@H](Cc1cccc(F)c1)N(C)CC1(F)CC1 ZINC000580291922 346860452 /nfs/dbraw/zinc/86/04/52/346860452.db2.gz SUBBSKJFWSDOKB-NSHDSACASA-N 0 3 239.309 3.191 20 0 BGADHN F[C@@H]1CCCN(Cc2cccc3cc[nH]c32)C1 ZINC000580319601 346972450 /nfs/dbraw/zinc/97/24/50/346972450.db2.gz QOXQFWUSRZCVMW-CYBMUJFWSA-N 0 3 232.302 3.102 20 0 BGADHN F[C@H]1CCCN(Cc2cccc3cc[nH]c32)C1 ZINC000580319602 346972845 /nfs/dbraw/zinc/97/28/45/346972845.db2.gz QOXQFWUSRZCVMW-ZDUSSCGKSA-N 0 3 232.302 3.102 20 0 BGADHN C[C@@H](CC1CC1)NCc1noc2ccccc21 ZINC000580327748 384585104 /nfs/dbraw/zinc/58/51/04/384585104.db2.gz DRMMHJUFTXCYRS-JTQLQIEISA-N 0 3 230.311 3.106 20 0 BGADHN C[C@H](CC1CC1)NCc1noc2ccccc21 ZINC000580327749 384584967 /nfs/dbraw/zinc/58/49/67/384584967.db2.gz DRMMHJUFTXCYRS-SNVBAGLBSA-N 0 3 230.311 3.106 20 0 BGADHN CCc1nc(C)c(CN[C@@H](C(C)C)C2CC2)o1 ZINC000580392377 356444269 /nfs/dbraw/zinc/44/42/69/356444269.db2.gz IIHUUQSDTDDLME-AWEZNQCLSA-N 0 3 236.359 3.070 20 0 BGADHN CCc1nc(C)c(CN[C@H](C(C)C)C2CC2)o1 ZINC000580392378 356444587 /nfs/dbraw/zinc/44/45/87/356444587.db2.gz IIHUUQSDTDDLME-CQSZACIVSA-N 0 3 236.359 3.070 20 0 BGADHN CC[C@@]1(C)CCN(Cc2ccc3c(n2)CCC3)C1 ZINC000580411978 358497008 /nfs/dbraw/zinc/49/70/08/358497008.db2.gz FZJOORRLPJZGDX-INIZCTEOSA-N 0 3 244.382 3.192 20 0 BGADHN CC[C@]1(C)CCN(Cc2ccc3c(n2)CCC3)C1 ZINC000580411979 358496795 /nfs/dbraw/zinc/49/67/95/358496795.db2.gz FZJOORRLPJZGDX-MRXNPFEDSA-N 0 3 244.382 3.192 20 0 BGADHN CC(C)C(CN(C)Cc1ccccn1)C(C)C ZINC000580422686 359536413 /nfs/dbraw/zinc/53/64/13/359536413.db2.gz CERFUZRJCNVQBR-UHFFFAOYSA-N 0 3 234.387 3.442 20 0 BGADHN CC[C@H](C)N(C)Cc1ccc(OC)cc1F ZINC000580437865 359555558 /nfs/dbraw/zinc/55/55/58/359555558.db2.gz CCNNDJHONPFFQY-JTQLQIEISA-N 0 3 225.307 3.065 20 0 BGADHN CC[C@@H](C)N(C)Cc1ccc(OC)cc1F ZINC000580437866 359555482 /nfs/dbraw/zinc/55/54/82/359555482.db2.gz CCNNDJHONPFFQY-SNVBAGLBSA-N 0 3 225.307 3.065 20 0 BGADHN CCC[C@H]1CCCC[C@H]1NCc1ccn(CC)n1 ZINC000580445051 359561288 /nfs/dbraw/zinc/56/12/88/359561288.db2.gz GZWFQSXDRUGHDO-DZGCQCFKSA-N 0 3 249.402 3.352 20 0 BGADHN CCC[C@@H]1CCCC[C@@H]1NCc1ccn(CC)n1 ZINC000580445052 359560908 /nfs/dbraw/zinc/56/09/08/359560908.db2.gz GZWFQSXDRUGHDO-HIFRSBDPSA-N 0 3 249.402 3.352 20 0 BGADHN CCC[C@@H]1CCCC[C@H]1NCc1ccn(CC)n1 ZINC000580445053 359560758 /nfs/dbraw/zinc/56/07/58/359560758.db2.gz GZWFQSXDRUGHDO-UKRRQHHQSA-N 0 3 249.402 3.352 20 0 BGADHN CCC[C@H]1CCCC[C@@H]1NCc1ccn(CC)n1 ZINC000580445054 359561449 /nfs/dbraw/zinc/56/14/49/359561449.db2.gz GZWFQSXDRUGHDO-ZFWWWQNUSA-N 0 3 249.402 3.352 20 0 BGADHN CC(C)[C@H](C)N[C@@H]1c2ccc(F)cc2O[C@H]1C ZINC000580480380 359577346 /nfs/dbraw/zinc/57/73/46/359577346.db2.gz WEJIBSNGSIBKKB-BHDSKKPTSA-N 0 3 237.318 3.282 20 0 BGADHN CC(C)[C@H](C)N[C@H]1c2ccc(F)cc2O[C@@H]1C ZINC000580480382 359576925 /nfs/dbraw/zinc/57/69/25/359576925.db2.gz WEJIBSNGSIBKKB-IMSIIYSGSA-N 0 3 237.318 3.282 20 0 BGADHN CC(C)[C@H](C)N[C@H]1c2ccc(F)cc2O[C@H]1C ZINC000580480383 359577566 /nfs/dbraw/zinc/57/75/66/359577566.db2.gz WEJIBSNGSIBKKB-PKFCDNJMSA-N 0 3 237.318 3.282 20 0 BGADHN CC(C)[C@H](C)N[C@@H]1c2ccc(F)cc2O[C@@H]1C ZINC000580480384 359577049 /nfs/dbraw/zinc/57/70/49/359577049.db2.gz WEJIBSNGSIBKKB-RBZYPMLTSA-N 0 3 237.318 3.282 20 0 BGADHN CCCN(CC)c1ccnc2ccccc21 ZINC000580493989 359747102 /nfs/dbraw/zinc/74/71/02/359747102.db2.gz XHYWDGTVIMUTCZ-UHFFFAOYSA-N 0 3 214.312 3.471 20 0 BGADHN CCCC[C@@H](C)N(C)Cc1cn2ccccc2n1 ZINC000580500956 359786651 /nfs/dbraw/zinc/78/66/51/359786651.db2.gz GDSREGMGSJVSQH-CYBMUJFWSA-N 0 3 245.370 3.345 20 0 BGADHN CCCC[C@H](C)N(C)Cc1cn2ccccc2n1 ZINC000580500957 359786734 /nfs/dbraw/zinc/78/67/34/359786734.db2.gz GDSREGMGSJVSQH-ZDUSSCGKSA-N 0 3 245.370 3.345 20 0 BGADHN COc1ccccc1CN(CC1(C)CC1)C1CC1 ZINC000580511798 361834879 /nfs/dbraw/zinc/83/48/79/361834879.db2.gz HATZBEULVYQDLM-UHFFFAOYSA-N 0 3 245.366 3.460 20 0 BGADHN CCO[C@@H]1C[C@H]1N[C@H](c1ccccc1)C(C)C ZINC000580519564 365277772 /nfs/dbraw/zinc/27/77/72/365277772.db2.gz FDWCBIGEBWFTIH-KFWWJZLASA-N 0 3 233.355 3.151 20 0 BGADHN CCO[C@@H]1C[C@H]1N[C@@H](c1ccccc1)C(C)C ZINC000580519565 365278622 /nfs/dbraw/zinc/27/86/22/365278622.db2.gz FDWCBIGEBWFTIH-RBSFLKMASA-N 0 3 233.355 3.151 20 0 BGADHN CCO[C@@H]1C[C@@H]1N[C@@H](c1ccccc1)C(C)C ZINC000580519566 365277905 /nfs/dbraw/zinc/27/79/05/365277905.db2.gz FDWCBIGEBWFTIH-RRFJBIMHSA-N 0 3 233.355 3.151 20 0 BGADHN CCO[C@@H]1C[C@@H]1N[C@H](c1ccccc1)C(C)C ZINC000580519567 365277555 /nfs/dbraw/zinc/27/75/55/365277555.db2.gz FDWCBIGEBWFTIH-ZNMIVQPWSA-N 0 3 233.355 3.151 20 0 BGADHN CCC[C@@H]1CCCC[C@@H]1N[C@@H](C)c1ccn(C)n1 ZINC000580528511 365316482 /nfs/dbraw/zinc/31/64/82/365316482.db2.gz RLPMDYBXFUSTDR-GUTXKFCHSA-N 0 3 249.402 3.430 20 0 BGADHN CCC[C@@H]1CCCC[C@H]1N[C@@H](C)c1ccn(C)n1 ZINC000580528512 365316269 /nfs/dbraw/zinc/31/62/69/365316269.db2.gz RLPMDYBXFUSTDR-GZBFAFLISA-N 0 3 249.402 3.430 20 0 BGADHN CCC[C@@H]1CCCC[C@@H]1N[C@H](C)c1ccn(C)n1 ZINC000580528513 365316753 /nfs/dbraw/zinc/31/67/53/365316753.db2.gz RLPMDYBXFUSTDR-NFAWXSAZSA-N 0 3 249.402 3.430 20 0 BGADHN CCC[C@@H]1CCCC[C@H]1N[C@H](C)c1ccn(C)n1 ZINC000580528548 365316423 /nfs/dbraw/zinc/31/64/23/365316423.db2.gz RLPMDYBXFUSTDR-UMVBOHGHSA-N 0 3 249.402 3.430 20 0 BGADHN C[C@H](N[C@@H]1C[C@H]1c1ccco1)c1ccoc1 ZINC000580528564 365317363 /nfs/dbraw/zinc/31/73/63/365317363.db2.gz UIJAPMGMPAESLS-MVWJERBFSA-N 0 3 217.268 3.079 20 0 BGADHN C[C@@H](N[C@@H]1C[C@H]1c1ccco1)c1ccoc1 ZINC000580528565 365316863 /nfs/dbraw/zinc/31/68/63/365316863.db2.gz UIJAPMGMPAESLS-YUSALJHKSA-N 0 3 217.268 3.079 20 0 BGADHN CC1(CN2CCc3c(Cl)cccc3C2)CC1 ZINC000580612112 365814940 /nfs/dbraw/zinc/81/49/40/365814940.db2.gz HENBUDWXUNEUKQ-UHFFFAOYSA-N 0 3 235.758 3.498 20 0 BGADHN Cc1cc(C)cc(CNC2(CF)CCC2)c1 ZINC000580646673 365841319 /nfs/dbraw/zinc/84/13/19/365841319.db2.gz OCHYHMRJXOPWGW-UHFFFAOYSA-N 0 3 221.319 3.285 20 0 BGADHN CC1(C)CCC[C@@H]1NCc1noc2ccccc21 ZINC000580660393 365857618 /nfs/dbraw/zinc/85/76/18/365857618.db2.gz YWJVBUICBUITQU-AWEZNQCLSA-N 0 3 244.338 3.496 20 0 BGADHN CC1(C)CCC[C@H]1NCc1noc2ccccc21 ZINC000580660394 365857422 /nfs/dbraw/zinc/85/74/22/365857422.db2.gz YWJVBUICBUITQU-CQSZACIVSA-N 0 3 244.338 3.496 20 0 BGADHN C[C@@H]1Oc2ccccc2[C@H]1NC1CC(C)(C)C1 ZINC000580679374 365874265 /nfs/dbraw/zinc/87/42/65/365874265.db2.gz UZVAXCBFHFLPFL-HZMBPMFUSA-N 0 3 231.339 3.287 20 0 BGADHN C[C@@H]1Oc2ccccc2[C@@H]1NC1CC(C)(C)C1 ZINC000580679375 365873596 /nfs/dbraw/zinc/87/35/96/365873596.db2.gz UZVAXCBFHFLPFL-IINYFYTJSA-N 0 3 231.339 3.287 20 0 BGADHN C[C@H]1Oc2ccccc2[C@@H]1NC1CC(C)(C)C1 ZINC000580679376 365873355 /nfs/dbraw/zinc/87/33/55/365873355.db2.gz UZVAXCBFHFLPFL-QMTHXVAHSA-N 0 3 231.339 3.287 20 0 BGADHN C[C@H]1Oc2ccccc2[C@H]1NC1CC(C)(C)C1 ZINC000580679377 365873332 /nfs/dbraw/zinc/87/33/32/365873332.db2.gz UZVAXCBFHFLPFL-YGRLFVJLSA-N 0 3 231.339 3.287 20 0 BGADHN CCC(CC)[N@@H+](CC)Cc1cccc([O-])c1 ZINC000580707494 367148135 /nfs/dbraw/zinc/14/81/35/367148135.db2.gz JNSQGHHLTBMRRM-UHFFFAOYSA-N 0 3 221.344 3.403 20 0 BGADHN CCC(CC)[N@H+](CC)Cc1cccc([O-])c1 ZINC000580707494 367148132 /nfs/dbraw/zinc/14/81/32/367148132.db2.gz JNSQGHHLTBMRRM-UHFFFAOYSA-N 0 3 221.344 3.403 20 0 BGADHN C[C@H](N(C)Cc1ccc(Cl)cn1)C1(C)CC1 ZINC000580733209 367152413 /nfs/dbraw/zinc/15/24/13/367152413.db2.gz HSKACCKXSYYFPP-JTQLQIEISA-N 0 3 238.762 3.355 20 0 BGADHN C[C@@H](N(C)Cc1ccc(Cl)cn1)C1(C)CC1 ZINC000580733210 367152527 /nfs/dbraw/zinc/15/25/27/367152527.db2.gz HSKACCKXSYYFPP-SNVBAGLBSA-N 0 3 238.762 3.355 20 0 BGADHN CCCC(CCC)NCc1ncccc1N(C)C ZINC000580744454 367154856 /nfs/dbraw/zinc/15/48/56/367154856.db2.gz TZTXPWACYXCKPC-UHFFFAOYSA-N 0 3 249.402 3.206 20 0 BGADHN Cc1cc(N[C@H]2C[C@@H]2C(F)F)c2ccccc2n1 ZINC000580765673 367160108 /nfs/dbraw/zinc/16/01/08/367160108.db2.gz CNQBHWBPCLODPJ-GWCFXTLKSA-N 0 3 248.276 3.031 20 0 BGADHN Cc1ccc2c(c1)[C@H](NC1CC(C)(C)C1)CO2 ZINC000580811362 367173585 /nfs/dbraw/zinc/17/35/85/367173585.db2.gz DAQBMASYQAZLLK-CYBMUJFWSA-N 0 3 231.339 3.207 20 0 BGADHN Cc1ccc2c(c1)[C@@H](NC1CC(C)(C)C1)CO2 ZINC000580811363 367174580 /nfs/dbraw/zinc/17/45/80/367174580.db2.gz DAQBMASYQAZLLK-ZDUSSCGKSA-N 0 3 231.339 3.207 20 0 BGADHN Cc1cc(CNC2CC(C)(F)C2)c(C)s1 ZINC000580814432 367173343 /nfs/dbraw/zinc/17/33/43/367173343.db2.gz QEIOWJQCVXPBBI-UHFFFAOYSA-N 0 3 227.348 3.345 20 0 BGADHN Cc1ccc(CCOc2ccccc2CN)cc1 ZINC000580828525 367180119 /nfs/dbraw/zinc/18/01/19/367180119.db2.gz ZVAZYFJYMHIRKF-UHFFFAOYSA-N 0 3 241.334 3.075 20 0 BGADHN CCCN(Cc1nc2ccccc2[nH]1)C(C)C ZINC000580841843 367184989 /nfs/dbraw/zinc/18/49/89/367184989.db2.gz NVRDRJWGTWCXMT-UHFFFAOYSA-N 0 3 231.343 3.183 20 0 BGADHN Cc1cc(N[C@H]2CC[C@@H](F)C2)c2ccccc2n1 ZINC000580855785 367188610 /nfs/dbraw/zinc/18/86/10/367188610.db2.gz YKMLAGKVKFAAMB-NEPJUHHUSA-N 0 3 244.313 3.268 20 0 BGADHN Cc1cc(N[C@@H]2CC[C@H](F)C2)c2ccccc2n1 ZINC000580855788 367188757 /nfs/dbraw/zinc/18/87/57/367188757.db2.gz YKMLAGKVKFAAMB-NWDGAFQWSA-N 0 3 244.313 3.268 20 0 BGADHN Cc1cc(N[C@H]2CC[C@H](F)C2)c2ccccc2n1 ZINC000580855790 367188545 /nfs/dbraw/zinc/18/85/45/367188545.db2.gz YKMLAGKVKFAAMB-RYUDHWBXSA-N 0 3 244.313 3.268 20 0 BGADHN Cc1cc(N[C@@H]2CC[C@@H](F)C2)c2ccccc2n1 ZINC000580855792 367188560 /nfs/dbraw/zinc/18/85/60/367188560.db2.gz YKMLAGKVKFAAMB-VXGBXAGGSA-N 0 3 244.313 3.268 20 0 BGADHN Cc1ccc(CCN[C@H](C)c2ccncc2F)o1 ZINC000580907249 367203356 /nfs/dbraw/zinc/20/33/56/367203356.db2.gz XPPLPXGYLRJPDC-LLVKDONJSA-N 0 3 248.301 3.015 20 0 BGADHN Cc1ccc(CCN[C@@H](C)c2ccncc2F)o1 ZINC000580907250 367203800 /nfs/dbraw/zinc/20/38/00/367203800.db2.gz XPPLPXGYLRJPDC-NSHDSACASA-N 0 3 248.301 3.015 20 0 BGADHN Cc1cc(F)cc2c1CN(CC1(C)CC1)CC2 ZINC000580963896 367221002 /nfs/dbraw/zinc/22/10/02/367221002.db2.gz GFZRJYXETRATCY-UHFFFAOYSA-N 0 3 233.330 3.292 20 0 BGADHN Cc1nsc(C)c1CN1CCCCCC1 ZINC000580990229 367225424 /nfs/dbraw/zinc/22/54/24/367225424.db2.gz AHXSZLJEDPMROF-UHFFFAOYSA-N 0 3 224.373 3.136 20 0 BGADHN CCO[C@@H]1C[C@@H]1N[C@H](CC)c1ccc(C)cc1 ZINC000580991814 367227516 /nfs/dbraw/zinc/22/75/16/367227516.db2.gz XHYGFLBFEMUMGI-QLFBSQMISA-N 0 3 233.355 3.213 20 0 BGADHN CCO[C@@H]1C[C@H]1N[C@H](CC)c1ccc(C)cc1 ZINC000580991817 367226868 /nfs/dbraw/zinc/22/68/68/367226868.db2.gz XHYGFLBFEMUMGI-RBSFLKMASA-N 0 3 233.355 3.213 20 0 BGADHN CCO[C@@H]1C[C@H]1N[C@@H](CC)c1ccc(C)cc1 ZINC000580991818 367226813 /nfs/dbraw/zinc/22/68/13/367226813.db2.gz XHYGFLBFEMUMGI-RRFJBIMHSA-N 0 3 233.355 3.213 20 0 BGADHN CCO[C@@H]1C[C@@H]1N[C@@H](CC)c1ccc(C)cc1 ZINC000580991819 367227536 /nfs/dbraw/zinc/22/75/36/367227536.db2.gz XHYGFLBFEMUMGI-SOUVJXGZSA-N 0 3 233.355 3.213 20 0 BGADHN CCC(C)(C)[C@@H](C)NCc1c(C)noc1C ZINC000580993955 367226828 /nfs/dbraw/zinc/22/68/28/367226828.db2.gz JNEQFKNFOZLOTR-LLVKDONJSA-N 0 3 224.348 3.206 20 0 BGADHN CCC(C)(C)[C@H](C)NCc1c(C)noc1C ZINC000580993958 367226915 /nfs/dbraw/zinc/22/69/15/367226915.db2.gz JNEQFKNFOZLOTR-NSHDSACASA-N 0 3 224.348 3.206 20 0 BGADHN CCC(C)(C)[C@H](C)NCc1ncc(C)s1 ZINC000580994059 367226882 /nfs/dbraw/zinc/22/68/82/367226882.db2.gz QXFZREDCHLNDCC-JTQLQIEISA-N 0 3 226.389 3.366 20 0 BGADHN CCC(C)(C)[C@@H](C)NCc1ncc(C)s1 ZINC000580994062 367227598 /nfs/dbraw/zinc/22/75/98/367227598.db2.gz QXFZREDCHLNDCC-SNVBAGLBSA-N 0 3 226.389 3.366 20 0 BGADHN CCc1cccc(CNCc2ccc(C)nc2)c1 ZINC000581073042 367253884 /nfs/dbraw/zinc/25/38/84/367253884.db2.gz CKVYOTHMZYAQEI-UHFFFAOYSA-N 0 3 240.350 3.242 20 0 BGADHN Cc1n[nH]cc1CN1CCC(C)(CC(C)C)CC1 ZINC000581099939 388571474 /nfs/dbraw/zinc/57/14/74/388571474.db2.gz OFQHOBZLODMHNR-UHFFFAOYSA-N 0 3 249.402 3.366 20 0 BGADHN CC[C@H](NCc1noc2ccccc21)[C@H]1C[C@@H]1C ZINC000581142222 367276044 /nfs/dbraw/zinc/27/60/44/367276044.db2.gz KMFOEMMTBHBPOB-DRZSPHRISA-N 0 3 244.338 3.352 20 0 BGADHN CC[C@H](NCc1noc2ccccc21)[C@@H]1C[C@H]1C ZINC000581142223 367275744 /nfs/dbraw/zinc/27/57/44/367275744.db2.gz KMFOEMMTBHBPOB-RTXFEEFZSA-N 0 3 244.338 3.352 20 0 BGADHN CC[C@H](NCc1noc2ccccc21)[C@@H]1C[C@@H]1C ZINC000581142224 367275792 /nfs/dbraw/zinc/27/57/92/367275792.db2.gz KMFOEMMTBHBPOB-UHTWSYAYSA-N 0 3 244.338 3.352 20 0 BGADHN CC[C@H](NCc1noc2ccccc21)[C@H]1C[C@H]1C ZINC000581142225 367276474 /nfs/dbraw/zinc/27/64/74/367276474.db2.gz KMFOEMMTBHBPOB-WXHSDQCUSA-N 0 3 244.338 3.352 20 0 BGADHN CCC(CC)CN1CCCC[C@H]1c1cc[nH]n1 ZINC000581158836 367278670 /nfs/dbraw/zinc/27/86/70/367278670.db2.gz IRJJGBXWVDTTKQ-AWEZNQCLSA-N 0 3 235.375 3.373 20 0 BGADHN CCC(CC)CN1CCCC[C@@H]1c1cc[nH]n1 ZINC000581158837 367278724 /nfs/dbraw/zinc/27/87/24/367278724.db2.gz IRJJGBXWVDTTKQ-CQSZACIVSA-N 0 3 235.375 3.373 20 0 BGADHN CCn1ccnc1[C@@H](C)NCCCC(C)(C)C ZINC000581173463 367282827 /nfs/dbraw/zinc/28/28/27/367282827.db2.gz JJCZWIODSBPAGA-GFCCVEGCSA-N 0 3 237.391 3.380 20 0 BGADHN CCn1ccnc1[C@H](C)NCCCC(C)(C)C ZINC000581173468 367282753 /nfs/dbraw/zinc/28/27/53/367282753.db2.gz JJCZWIODSBPAGA-LBPRGKRZSA-N 0 3 237.391 3.380 20 0 BGADHN Cc1cc(NCC(C)(F)F)c2ccccc2n1 ZINC000581263203 367315510 /nfs/dbraw/zinc/31/55/10/367315510.db2.gz CHHATSVUGHXMGW-UHFFFAOYSA-N 0 3 236.265 3.032 20 0 BGADHN C[C@@H](CC(C)(C)C)NCc1ncccc1F ZINC000581290825 367318324 /nfs/dbraw/zinc/31/83/24/367318324.db2.gz DXGXIEKWPPAFBI-JTQLQIEISA-N 0 3 224.323 3.135 20 0 BGADHN C[C@H](CC(C)(C)C)NCc1ncccc1F ZINC000581290826 367318843 /nfs/dbraw/zinc/31/88/43/367318843.db2.gz DXGXIEKWPPAFBI-SNVBAGLBSA-N 0 3 224.323 3.135 20 0 BGADHN CC(C)[C@H](C)N(C)Cc1cnc(C2CC2)s1 ZINC000581301636 367329892 /nfs/dbraw/zinc/32/98/92/367329892.db2.gz UHXXOOGRSWYXCB-JTQLQIEISA-N 0 3 238.400 3.497 20 0 BGADHN CC(C)[C@@H](C)N(C)Cc1cnc(C2CC2)s1 ZINC000581301637 367330466 /nfs/dbraw/zinc/33/04/66/367330466.db2.gz UHXXOOGRSWYXCB-SNVBAGLBSA-N 0 3 238.400 3.497 20 0 BGADHN Cc1ccc(CN2CC[C@@H](OC(C)C)C2)s1 ZINC000581311319 367339414 /nfs/dbraw/zinc/33/94/14/367339414.db2.gz ZSBNHWHZGSDPDC-GFCCVEGCSA-N 0 3 239.384 3.056 20 0 BGADHN Cc1cccc(CCNC2(CF)CCC2)c1 ZINC000581311715 367339393 /nfs/dbraw/zinc/33/93/93/367339393.db2.gz YBXXLYLYSJBRDJ-UHFFFAOYSA-N 0 3 221.319 3.019 20 0 BGADHN CC(C)c1nc(CN(C)C(C)C)c2ccccn21 ZINC000581314942 367342242 /nfs/dbraw/zinc/34/22/42/367342242.db2.gz KTUNDLFZCQXLDZ-UHFFFAOYSA-N 0 3 245.370 3.298 20 0 BGADHN COc1cc2ccccc2cc1CNCCCF ZINC000581350742 367371849 /nfs/dbraw/zinc/37/18/49/367371849.db2.gz FFPKUPOSQLJRFD-UHFFFAOYSA-N 0 3 247.313 3.298 20 0 BGADHN Cc1ccccc1CN(C)Cc1ccncc1C ZINC000581350800 367372000 /nfs/dbraw/zinc/37/20/00/367372000.db2.gz SWFDATFWWMLJKF-UHFFFAOYSA-N 0 3 240.350 3.330 20 0 BGADHN Cc1ccc(CCNCc2csc(C)c2)o1 ZINC000581350885 367371867 /nfs/dbraw/zinc/37/18/67/367371867.db2.gz MQYPGDACLAIRNJ-UHFFFAOYSA-N 0 3 235.352 3.290 20 0 BGADHN CCN(Cc1occc1C)CC1(C)CC1 ZINC000581357345 367385843 /nfs/dbraw/zinc/38/58/43/367385843.db2.gz UKDFLNWRUUVRNV-UHFFFAOYSA-N 0 3 207.317 3.210 20 0 BGADHN CCC[C@@H](C)N(C)Cc1ccc2c(n1)CCC2 ZINC000581414864 367456277 /nfs/dbraw/zinc/45/62/77/367456277.db2.gz RXYIRIWHHAMBMI-GFCCVEGCSA-N 0 3 232.371 3.191 20 0 BGADHN CCC[C@H](C)N(C)Cc1ccc2c(n1)CCC2 ZINC000581414865 367456680 /nfs/dbraw/zinc/45/66/80/367456680.db2.gz RXYIRIWHHAMBMI-LBPRGKRZSA-N 0 3 232.371 3.191 20 0 BGADHN CC(C)CC[C@@H](C)NCc1ccc2c(n1)CCC2 ZINC000581474351 367507122 /nfs/dbraw/zinc/50/71/22/367507122.db2.gz ZNGMKQMNYLIFSP-CYBMUJFWSA-N 0 3 246.398 3.485 20 0 BGADHN CC(C)CC[C@H](C)NCc1ccc2c(n1)CCC2 ZINC000581474352 367507044 /nfs/dbraw/zinc/50/70/44/367507044.db2.gz ZNGMKQMNYLIFSP-ZDUSSCGKSA-N 0 3 246.398 3.485 20 0 BGADHN F[C@H]1CCC[C@H]1NCc1ccnc2ccccc12 ZINC000581562045 367591846 /nfs/dbraw/zinc/59/18/46/367591846.db2.gz VTIOQZRMTDZOAD-DZGCQCFKSA-N 0 3 244.313 3.215 20 0 BGADHN CCn1cc(CN(C)CCC2=CCCCC2)cn1 ZINC000581588999 367616523 /nfs/dbraw/zinc/61/65/23/367616523.db2.gz SFSHOCSJAZETAR-UHFFFAOYSA-N 0 3 247.386 3.225 20 0 BGADHN COCCN(C)Cc1ccc(C2CCCC2)cc1 ZINC000581600346 367624895 /nfs/dbraw/zinc/62/48/95/367624895.db2.gz MCSBPIPSLMQEKC-UHFFFAOYSA-N 0 3 247.382 3.422 20 0 BGADHN CCCC[C@@H](C)NCc1cn2cc(C)ccc2n1 ZINC000581639979 367644188 /nfs/dbraw/zinc/64/41/88/367644188.db2.gz RLPLGKCJHUNCLJ-CYBMUJFWSA-N 0 3 245.370 3.311 20 0 BGADHN CCCC[C@H](C)NCc1cn2cc(C)ccc2n1 ZINC000581639980 367644324 /nfs/dbraw/zinc/64/43/24/367644324.db2.gz RLPLGKCJHUNCLJ-ZDUSSCGKSA-N 0 3 245.370 3.311 20 0 BGADHN Cc1ccc(CNC2(CF)CCC2)c(C)c1 ZINC000581667141 367666835 /nfs/dbraw/zinc/66/68/35/367666835.db2.gz RXAOQHIIBNINLL-UHFFFAOYSA-N 0 3 221.319 3.285 20 0 BGADHN Cc1nsc(C)c1CN(CC1CC1)C(C)C ZINC000581674380 367703553 /nfs/dbraw/zinc/70/35/53/367703553.db2.gz CHSOJIXAFRIVTI-UHFFFAOYSA-N 0 3 238.400 3.380 20 0 BGADHN CCc1ccc(CNCCOCC2CCC2)cc1 ZINC000581700300 367719454 /nfs/dbraw/zinc/71/94/54/367719454.db2.gz LUWPIIXXDJJELW-UHFFFAOYSA-N 0 3 247.382 3.155 20 0 BGADHN CCC[C@H](C)N[C@@H](c1ccccc1F)[C@H](C)O ZINC000581730322 367795487 /nfs/dbraw/zinc/79/54/87/367795487.db2.gz CWZXUDKBVBHWCL-COPLHBTASA-N 0 3 239.334 3.026 20 0 BGADHN CCC[C@H](C)N[C@@H](c1ccccc1F)[C@@H](C)O ZINC000581730323 367795338 /nfs/dbraw/zinc/79/53/38/367795338.db2.gz CWZXUDKBVBHWCL-MISXGVKJSA-N 0 3 239.334 3.026 20 0 BGADHN CCC[C@H](C)N[C@H](c1ccccc1F)[C@H](C)O ZINC000581730324 367795028 /nfs/dbraw/zinc/79/50/28/367795028.db2.gz CWZXUDKBVBHWCL-MJVIPROJSA-N 0 3 239.334 3.026 20 0 BGADHN CCC[C@H](C)N[C@H](c1ccccc1F)[C@@H](C)O ZINC000581730325 367795187 /nfs/dbraw/zinc/79/51/87/367795187.db2.gz CWZXUDKBVBHWCL-WDMOLILDSA-N 0 3 239.334 3.026 20 0 BGADHN Cc1cccc(CNCCOCC2CCC2)c1C ZINC000581759770 367810439 /nfs/dbraw/zinc/81/04/39/367810439.db2.gz JCCGBLZKDCYQPE-UHFFFAOYSA-N 0 3 247.382 3.210 20 0 BGADHN C[C@@H]1C[C@H](C)CN(Cc2ccc3c(n2)CCC3)C1 ZINC000581771527 388574312 /nfs/dbraw/zinc/57/43/12/388574312.db2.gz KCJQMESGPRRYDV-BETUJISGSA-N 0 3 244.382 3.048 20 0 BGADHN C[C@@H]1C[C@@H](C)CN(Cc2ccc3c(n2)CCC3)C1 ZINC000581771528 388574439 /nfs/dbraw/zinc/57/44/39/388574439.db2.gz KCJQMESGPRRYDV-CHWSQXEVSA-N 0 3 244.382 3.048 20 0 BGADHN C[C@H]1C[C@H](C)CN(Cc2ccc3c(n2)CCC3)C1 ZINC000581771529 388574552 /nfs/dbraw/zinc/57/45/52/388574552.db2.gz KCJQMESGPRRYDV-STQMWFEESA-N 0 3 244.382 3.048 20 0 BGADHN Cc1nc(CNCC(C(C)C)C(C)C)[nH]c1C ZINC000581836062 367840250 /nfs/dbraw/zinc/84/02/50/367840250.db2.gz SDNLOJYZTBOMON-UHFFFAOYSA-N 0 3 237.391 3.044 20 0 BGADHN Cc1cc(OCC[C@@H]2CCCCO2)c(C)c(C)n1 ZINC000581954495 368020406 /nfs/dbraw/zinc/02/04/06/368020406.db2.gz ZSAJJRMQVPBSAN-AWEZNQCLSA-N 0 3 249.354 3.345 20 0 BGADHN Cc1cc(OCC[C@H]2CCCCO2)c(C)c(C)n1 ZINC000581954496 368020633 /nfs/dbraw/zinc/02/06/33/368020633.db2.gz ZSAJJRMQVPBSAN-CQSZACIVSA-N 0 3 249.354 3.345 20 0 BGADHN C[C@@H](N[C@@H]1CCCC(C)(C)CC1)c1ccn(C)n1 ZINC000581955129 368021215 /nfs/dbraw/zinc/02/12/15/368021215.db2.gz WAYZMVFTPLIRGZ-CHWSQXEVSA-N 0 3 249.402 3.430 20 0 BGADHN C[C@@H](N[C@H]1CCCC(C)(C)CC1)c1ccn(C)n1 ZINC000581955130 368020485 /nfs/dbraw/zinc/02/04/85/368020485.db2.gz WAYZMVFTPLIRGZ-OLZOCXBDSA-N 0 3 249.402 3.430 20 0 BGADHN C[C@H](N[C@@H]1CCCC(C)(C)CC1)c1ccn(C)n1 ZINC000581955131 368020519 /nfs/dbraw/zinc/02/05/19/368020519.db2.gz WAYZMVFTPLIRGZ-QWHCGFSZSA-N 0 3 249.402 3.430 20 0 BGADHN C[C@H](N[C@H]1CCCC(C)(C)CC1)c1ccn(C)n1 ZINC000581955132 368020816 /nfs/dbraw/zinc/02/08/16/368020816.db2.gz WAYZMVFTPLIRGZ-STQMWFEESA-N 0 3 249.402 3.430 20 0 BGADHN C[C@@H](N[C@@H]1CC[C@@H](C)CC1)c1ccncc1F ZINC000581957981 368022196 /nfs/dbraw/zinc/02/21/96/368022196.db2.gz GFNPTQXTUHZVIV-IJLUTSLNSA-N 0 3 236.334 3.450 20 0 BGADHN C[C@H](N[C@@H]1CC[C@@H](C)CC1)c1ccncc1F ZINC000581957982 368022038 /nfs/dbraw/zinc/02/20/38/368022038.db2.gz GFNPTQXTUHZVIV-SRVKXCTJSA-N 0 3 236.334 3.450 20 0 BGADHN CCCN(Cc1cnc[nH]1)Cc1ccc(C)cc1 ZINC000581978651 368036399 /nfs/dbraw/zinc/03/63/99/368036399.db2.gz DQKUNJGYNWBKPA-UHFFFAOYSA-N 0 3 243.354 3.130 20 0 BGADHN Fc1ccc(F)c(CN[C@@H]2CCC[C@H](F)C2)c1 ZINC000582002619 368123713 /nfs/dbraw/zinc/12/37/13/368123713.db2.gz WEDLFEDQAPDETQ-CMPLNLGQSA-N 0 3 243.272 3.335 20 0 BGADHN Fc1ccc(F)c(CN[C@H]2CCC[C@H](F)C2)c1 ZINC000582002620 368123864 /nfs/dbraw/zinc/12/38/64/368123864.db2.gz WEDLFEDQAPDETQ-JQWIXIFHSA-N 0 3 243.272 3.335 20 0 BGADHN Fc1ccc(F)c(CN[C@H]2CCC[C@@H](F)C2)c1 ZINC000582002621 368124037 /nfs/dbraw/zinc/12/40/37/368124037.db2.gz WEDLFEDQAPDETQ-PWSUYJOCSA-N 0 3 243.272 3.335 20 0 BGADHN Fc1ccc(F)c(CN[C@@H]2CCC[C@@H](F)C2)c1 ZINC000582002622 368124315 /nfs/dbraw/zinc/12/43/15/368124315.db2.gz WEDLFEDQAPDETQ-ZYHUDNBSSA-N 0 3 243.272 3.335 20 0 BGADHN COc1ccc(CN2CCC3(CCC3)C2)c(F)c1 ZINC000582007715 368129545 /nfs/dbraw/zinc/12/95/45/368129545.db2.gz GOGCAVHFVOZNGE-UHFFFAOYSA-N 0 3 249.329 3.210 20 0 BGADHN CCO[C@@H]1C[C@H]1NCc1cc2ccccc2s1 ZINC000582041821 347116205 /nfs/dbraw/zinc/11/62/05/347116205.db2.gz YVPDXKSOXRDRQB-CHWSQXEVSA-N 0 3 247.363 3.168 20 0 BGADHN CCO[C@H]1C[C@H]1NCc1cc2ccccc2s1 ZINC000582041822 347116460 /nfs/dbraw/zinc/11/64/60/347116460.db2.gz YVPDXKSOXRDRQB-OLZOCXBDSA-N 0 3 247.363 3.168 20 0 BGADHN CCO[C@@H]1C[C@@H]1NCc1cc2ccccc2s1 ZINC000582041823 347116716 /nfs/dbraw/zinc/11/67/16/347116716.db2.gz YVPDXKSOXRDRQB-QWHCGFSZSA-N 0 3 247.363 3.168 20 0 BGADHN CCO[C@H]1C[C@@H]1NCc1cc2ccccc2s1 ZINC000582041824 347116768 /nfs/dbraw/zinc/11/67/68/347116768.db2.gz YVPDXKSOXRDRQB-STQMWFEESA-N 0 3 247.363 3.168 20 0 BGADHN CCC(CC)N(Cc1ccncc1F)C1CC1 ZINC000582043250 347120232 /nfs/dbraw/zinc/12/02/32/347120232.db2.gz RYOZDSSQEVGSDK-UHFFFAOYSA-N 0 3 236.334 3.374 20 0 BGADHN COC[C@@H](N[C@@H]1CC=C(C)CC1)c1ccco1 ZINC000582053689 347142204 /nfs/dbraw/zinc/14/22/04/347142204.db2.gz FQUMJIIMHCYMDC-CHWSQXEVSA-N 0 3 235.327 3.056 20 0 BGADHN COC[C@H](N[C@@H]1CC=C(C)CC1)c1ccco1 ZINC000582053690 347142219 /nfs/dbraw/zinc/14/22/19/347142219.db2.gz FQUMJIIMHCYMDC-OLZOCXBDSA-N 0 3 235.327 3.056 20 0 BGADHN COC[C@@H](N[C@H]1CC=C(C)CC1)c1ccco1 ZINC000582053691 347142402 /nfs/dbraw/zinc/14/24/02/347142402.db2.gz FQUMJIIMHCYMDC-QWHCGFSZSA-N 0 3 235.327 3.056 20 0 BGADHN COC[C@H](N[C@H]1CC=C(C)CC1)c1ccco1 ZINC000582053692 347142471 /nfs/dbraw/zinc/14/24/71/347142471.db2.gz FQUMJIIMHCYMDC-STQMWFEESA-N 0 3 235.327 3.056 20 0 BGADHN CCc1cnc(CN2[C@H](C)CC[C@H]2CC)s1 ZINC000582089886 347201520 /nfs/dbraw/zinc/20/15/20/347201520.db2.gz AUUWQEFWTXNQSW-GHMZBOCLSA-N 0 3 238.400 3.468 20 0 BGADHN CCc1cnc(CN2[C@H](C)CC[C@@H]2CC)s1 ZINC000582089887 347201453 /nfs/dbraw/zinc/20/14/53/347201453.db2.gz AUUWQEFWTXNQSW-MNOVXSKESA-N 0 3 238.400 3.468 20 0 BGADHN CCc1cnc(CN2[C@@H](C)CC[C@@H]2CC)s1 ZINC000582089888 347201434 /nfs/dbraw/zinc/20/14/34/347201434.db2.gz AUUWQEFWTXNQSW-QWRGUYRKSA-N 0 3 238.400 3.468 20 0 BGADHN CCc1cnc(CN2[C@H](CC)CC[C@@H]2C)s1 ZINC000582089889 347201535 /nfs/dbraw/zinc/20/15/35/347201535.db2.gz AUUWQEFWTXNQSW-WDEREUQCSA-N 0 3 238.400 3.468 20 0 BGADHN CC1=C[C@@H](C)C[C@@H](CN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000582094416 347208673 /nfs/dbraw/zinc/20/86/73/347208673.db2.gz LWRWIUSGTUQWPD-REBRKWNGSA-N 0 3 237.387 3.088 20 0 BGADHN CC1=C[C@@H](C)C[C@H](CN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000582094417 347209191 /nfs/dbraw/zinc/20/91/91/347209191.db2.gz LWRWIUSGTUQWPD-RZFFKMDDSA-N 0 3 237.387 3.088 20 0 BGADHN CCO[C@@H]1C[C@@H]1NCc1c(C)oc2ccccc21 ZINC000582101439 347238565 /nfs/dbraw/zinc/23/85/65/347238565.db2.gz YDJLDZJOKZEVNN-DZGCQCFKSA-N 0 3 245.322 3.008 20 0 BGADHN CCO[C@H]1C[C@H]1NCc1c(C)oc2ccccc21 ZINC000582101440 347238294 /nfs/dbraw/zinc/23/82/94/347238294.db2.gz YDJLDZJOKZEVNN-HIFRSBDPSA-N 0 3 245.322 3.008 20 0 BGADHN CCO[C@@H]1C[C@H]1NCc1c(C)oc2ccccc21 ZINC000582101441 347238814 /nfs/dbraw/zinc/23/88/14/347238814.db2.gz YDJLDZJOKZEVNN-UKRRQHHQSA-N 0 3 245.322 3.008 20 0 BGADHN CCO[C@H]1C[C@@H]1NCc1c(C)oc2ccccc21 ZINC000582101442 347238362 /nfs/dbraw/zinc/23/83/62/347238362.db2.gz YDJLDZJOKZEVNN-ZFWWWQNUSA-N 0 3 245.322 3.008 20 0 BGADHN FCC1(NCc2cccc3[nH]ccc32)CCC1 ZINC000582122042 347395419 /nfs/dbraw/zinc/39/54/19/347395419.db2.gz XCSGRERRACWSOY-UHFFFAOYSA-N 0 3 232.302 3.150 20 0 BGADHN Cc1ncncc1[C@@H](C)NCCC1=CCCCC1 ZINC000582132252 346988658 /nfs/dbraw/zinc/98/86/58/346988658.db2.gz GGZIKCLKXUJOLR-GFCCVEGCSA-N 0 3 245.370 3.326 20 0 BGADHN Cc1ncncc1[C@H](C)NCCC1=CCCCC1 ZINC000582132253 346988766 /nfs/dbraw/zinc/98/87/66/346988766.db2.gz GGZIKCLKXUJOLR-LBPRGKRZSA-N 0 3 245.370 3.326 20 0 BGADHN CCc1ccc(CN(C)[C@H](CC)CSC)o1 ZINC000582149595 352564390 /nfs/dbraw/zinc/56/43/90/352564390.db2.gz RNDTZIYQFHVEHB-LLVKDONJSA-N 0 3 241.400 3.415 20 0 BGADHN CCc1ccc(CN(C)[C@@H](CC)CSC)o1 ZINC000582149596 352564487 /nfs/dbraw/zinc/56/44/87/352564487.db2.gz RNDTZIYQFHVEHB-NSHDSACASA-N 0 3 241.400 3.415 20 0 BGADHN CC(C)=CCN1CCc2cc(C)ccc2C1 ZINC000582205081 355757653 /nfs/dbraw/zinc/75/76/53/355757653.db2.gz XEKDEAXNBCIBLX-UHFFFAOYSA-N 0 3 215.340 3.319 20 0 BGADHN FC(F)(F)C1CN(CC2CCCCC2)C1 ZINC000582208278 355795035 /nfs/dbraw/zinc/79/50/35/355795035.db2.gz PDEAHLKUSZDRDN-UHFFFAOYSA-N 0 3 221.266 3.061 20 0 BGADHN Fc1ccc(CNC[C@@H]2C[C@H]2C2CC2)c(F)c1 ZINC000582221943 355965075 /nfs/dbraw/zinc/96/50/75/355965075.db2.gz SRGVPHJVZNXKSH-AAEUAGOBSA-N 0 3 237.293 3.101 20 0 BGADHN CC(C)(C)CCN1CCC(=O)CC12CCC2 ZINC000582249469 356683137 /nfs/dbraw/zinc/68/31/37/356683137.db2.gz OAZCBFCYRRYQQG-UHFFFAOYSA-N 0 3 223.360 3.010 20 0 BGADHN CCC1CC(NCc2ccc(C)cc2OC)C1 ZINC000582256545 356693192 /nfs/dbraw/zinc/69/31/92/356693192.db2.gz ZAJXTPOXTPCUQY-UHFFFAOYSA-N 0 3 233.355 3.282 20 0 BGADHN CC[C@@H]1CC[C@H](C)N1Cc1cnn(C(C)C)c1 ZINC000582293786 357025968 /nfs/dbraw/zinc/02/59/68/357025968.db2.gz WMTNHSRPFIMENK-GXTWGEPZSA-N 0 3 235.375 3.227 20 0 BGADHN CC[C@H]1CC[C@H](C)N1Cc1cnn(C(C)C)c1 ZINC000582293787 357026225 /nfs/dbraw/zinc/02/62/25/357026225.db2.gz WMTNHSRPFIMENK-JSGCOSHPSA-N 0 3 235.375 3.227 20 0 BGADHN CC[C@H]1CC[C@@H](C)N1Cc1cnn(C(C)C)c1 ZINC000582293788 357025757 /nfs/dbraw/zinc/02/57/57/357025757.db2.gz WMTNHSRPFIMENK-OCCSQVGLSA-N 0 3 235.375 3.227 20 0 BGADHN CC[C@@H]1CC[C@@H](C)N1Cc1cnn(C(C)C)c1 ZINC000582293789 357025983 /nfs/dbraw/zinc/02/59/83/357025983.db2.gz WMTNHSRPFIMENK-TZMCWYRMSA-N 0 3 235.375 3.227 20 0 BGADHN CC[C@H](C)N1CCc2c(Cl)cccc2C1 ZINC000582323289 357063665 /nfs/dbraw/zinc/06/36/65/357063665.db2.gz VGAZKOUVGVKIHR-JTQLQIEISA-N 0 3 223.747 3.497 20 0 BGADHN CC[C@@H](C)N1CCc2c(Cl)cccc2C1 ZINC000582323290 357063451 /nfs/dbraw/zinc/06/34/51/357063451.db2.gz VGAZKOUVGVKIHR-SNVBAGLBSA-N 0 3 223.747 3.497 20 0 BGADHN CCCN(Cc1cccc2c1OCO2)C(C)C ZINC000582371126 357114081 /nfs/dbraw/zinc/11/40/81/357114081.db2.gz NMNZKZQMNQSRRN-UHFFFAOYSA-N 0 3 235.327 3.036 20 0 BGADHN CCN(CCC1CC1)Cc1ccc2c(n1)CCC2 ZINC000582406102 357135112 /nfs/dbraw/zinc/13/51/12/357135112.db2.gz HDZSKJDMORLUDG-UHFFFAOYSA-N 0 3 244.382 3.192 20 0 BGADHN CCCc1ccc(CN(C)CCSC)cc1 ZINC000582425477 357145938 /nfs/dbraw/zinc/14/59/38/357145938.db2.gz ZNFASZMFXYNUJB-UHFFFAOYSA-N 0 3 237.412 3.434 20 0 BGADHN CC1=CC[C@@H](NCc2ccn(C(C)C)n2)CC1 ZINC000582477830 357316061 /nfs/dbraw/zinc/31/60/61/357316061.db2.gz PKPVGJUQKZAIBJ-CYBMUJFWSA-N 0 3 233.359 3.052 20 0 BGADHN CC1=CC[C@H](NCc2ccn(C(C)C)n2)CC1 ZINC000582477831 357316226 /nfs/dbraw/zinc/31/62/26/357316226.db2.gz PKPVGJUQKZAIBJ-ZDUSSCGKSA-N 0 3 233.359 3.052 20 0 BGADHN Cc1ccnc([C@H](C)N[C@H]2CCC[C@H](F)C2)c1 ZINC000582487446 357318684 /nfs/dbraw/zinc/31/86/84/357318684.db2.gz VLVLISXXPSAYRM-AVGNSLFASA-N 0 3 236.334 3.321 20 0 BGADHN Cc1ccnc([C@H](C)N[C@@H]2CCC[C@H](F)C2)c1 ZINC000582487447 357318570 /nfs/dbraw/zinc/31/85/70/357318570.db2.gz VLVLISXXPSAYRM-RWMBFGLXSA-N 0 3 236.334 3.321 20 0 BGADHN Cc1ccnc([C@H](C)N[C@H]2CCC[C@@H](F)C2)c1 ZINC000582487448 357318700 /nfs/dbraw/zinc/31/87/00/357318700.db2.gz VLVLISXXPSAYRM-XQQFMLRXSA-N 0 3 236.334 3.321 20 0 BGADHN Cc1ccnc([C@H](C)N[C@@H]2CCC[C@@H](F)C2)c1 ZINC000582487449 357318768 /nfs/dbraw/zinc/31/87/68/357318768.db2.gz VLVLISXXPSAYRM-YNEHKIRRSA-N 0 3 236.334 3.321 20 0 BGADHN Clc1sccc1CN[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000582498524 357329939 /nfs/dbraw/zinc/32/99/39/357329939.db2.gz STJJOZPNBCQICL-ILWJIGKKSA-N 0 3 227.760 3.290 20 0 BGADHN CN(Cc1ccc(Cl)cn1)CC1CCCC1 ZINC000582505012 357322843 /nfs/dbraw/zinc/32/28/43/357322843.db2.gz GEBFPZZCDPAMFS-UHFFFAOYSA-N 0 3 238.762 3.357 20 0 BGADHN CC(C)CC[C@@H]1CCC[C@H]1NCc1ccno1 ZINC000582522690 357334029 /nfs/dbraw/zinc/33/40/29/357334029.db2.gz KLIYJCLRQSXVRT-GXTWGEPZSA-N 0 3 236.359 3.369 20 0 BGADHN CC(C)CC[C@@H]1CCC[C@@H]1NCc1ccno1 ZINC000582522691 357333793 /nfs/dbraw/zinc/33/37/93/357333793.db2.gz KLIYJCLRQSXVRT-JSGCOSHPSA-N 0 3 236.359 3.369 20 0 BGADHN CC(C)CC[C@H]1CCC[C@@H]1NCc1ccno1 ZINC000582522692 357333867 /nfs/dbraw/zinc/33/38/67/357333867.db2.gz KLIYJCLRQSXVRT-OCCSQVGLSA-N 0 3 236.359 3.369 20 0 BGADHN CC(C)CC[C@H]1CCC[C@H]1NCc1ccno1 ZINC000582522693 357333674 /nfs/dbraw/zinc/33/36/74/357333674.db2.gz KLIYJCLRQSXVRT-TZMCWYRMSA-N 0 3 236.359 3.369 20 0 BGADHN C[C@@H](NC1(C2CC2)CC1)c1ccncc1Cl ZINC000582540390 357338345 /nfs/dbraw/zinc/33/83/45/357338345.db2.gz XMMDSNZKTPHNBQ-SECBINFHSA-N 0 3 236.746 3.328 20 0 BGADHN C[C@H](NC1(C2CC2)CC1)c1ccncc1Cl ZINC000582540391 357338486 /nfs/dbraw/zinc/33/84/86/357338486.db2.gz XMMDSNZKTPHNBQ-VIFPVBQESA-N 0 3 236.746 3.328 20 0 BGADHN CCCc1cccc(CN2CC(C)C2)c1 ZINC000582559390 357344262 /nfs/dbraw/zinc/34/42/62/357344262.db2.gz UKIGCEQWXCSCBH-UHFFFAOYSA-N 0 3 203.329 3.091 20 0 BGADHN CC[C@H]1[C@@H](C)CCN1Cc1ccc(Cl)cn1 ZINC000582581224 357342729 /nfs/dbraw/zinc/34/27/29/357342729.db2.gz PKLBVYVFQVDFID-GWCFXTLKSA-N 0 3 238.762 3.355 20 0 BGADHN CC[C@@H]1[C@@H](C)CCN1Cc1ccc(Cl)cn1 ZINC000582581225 357342749 /nfs/dbraw/zinc/34/27/49/357342749.db2.gz PKLBVYVFQVDFID-GXFFZTMASA-N 0 3 238.762 3.355 20 0 BGADHN CC[C@H]1[C@H](C)CCN1Cc1ccc(Cl)cn1 ZINC000582581226 357342790 /nfs/dbraw/zinc/34/27/90/357342790.db2.gz PKLBVYVFQVDFID-MFKMUULPSA-N 0 3 238.762 3.355 20 0 BGADHN CC[C@@H]1[C@H](C)CCN1Cc1ccc(Cl)cn1 ZINC000582581227 357342776 /nfs/dbraw/zinc/34/27/76/357342776.db2.gz PKLBVYVFQVDFID-ZWNOBZJWSA-N 0 3 238.762 3.355 20 0 BGADHN COc1ccc(F)c(CN[C@H](C)C(C)(C)C)c1 ZINC000582610861 357351613 /nfs/dbraw/zinc/35/16/13/357351613.db2.gz BVMWYQYVRZRKNQ-SNVBAGLBSA-N 0 3 239.334 3.359 20 0 BGADHN O=C1CCN(CC2CCCCC2)C2(CCC2)C1 ZINC000582614231 357353642 /nfs/dbraw/zinc/35/36/42/357353642.db2.gz CJKNVWYFBUFZKO-UHFFFAOYSA-N 0 3 235.371 3.154 20 0 BGADHN CCCC1(CN[C@H](C)c2cncnc2C)CC1 ZINC000582616336 357354081 /nfs/dbraw/zinc/35/40/81/357354081.db2.gz MMUMQFXOVURQHH-LLVKDONJSA-N 0 3 233.359 3.016 20 0 BGADHN CCCC1(CN[C@@H](C)c2cncnc2C)CC1 ZINC000582616337 357354079 /nfs/dbraw/zinc/35/40/79/357354079.db2.gz MMUMQFXOVURQHH-NSHDSACASA-N 0 3 233.359 3.016 20 0 BGADHN CCn1ccnc1CN[C@H](C)CC1CCCCC1 ZINC000582641446 357352034 /nfs/dbraw/zinc/35/20/34/357352034.db2.gz NUEYRKASNNYBST-CYBMUJFWSA-N 0 3 249.402 3.352 20 0 BGADHN CCC[C@@H](CNCc1ccno1)c1ccccc1 ZINC000582666179 357358538 /nfs/dbraw/zinc/35/85/38/357358538.db2.gz JRBXFFRORNXGRL-AWEZNQCLSA-N 0 3 244.338 3.348 20 0 BGADHN CCC[C@H](CNCc1ccno1)c1ccccc1 ZINC000582666182 357358528 /nfs/dbraw/zinc/35/85/28/357358528.db2.gz JRBXFFRORNXGRL-CQSZACIVSA-N 0 3 244.338 3.348 20 0 BGADHN CCOC1CC(N(C)Cc2sccc2C)C1 ZINC000582693789 357368934 /nfs/dbraw/zinc/36/89/34/357368934.db2.gz XXSXUBFRZULNJB-UHFFFAOYSA-N 0 3 239.384 3.056 20 0 BGADHN CC[C@@H](C)CC(=O)Nc1ccccc1CN(C)C ZINC000582700469 357365557 /nfs/dbraw/zinc/36/55/57/357365557.db2.gz IBSHDSBKMURFFU-GFCCVEGCSA-N 0 3 248.370 3.123 20 0 BGADHN CC[C@H](C)CC(=O)Nc1ccccc1CN(C)C ZINC000582700470 357365882 /nfs/dbraw/zinc/36/58/82/357365882.db2.gz IBSHDSBKMURFFU-LBPRGKRZSA-N 0 3 248.370 3.123 20 0 BGADHN Cc1cc(CN(C)Cc2cc[nH]c2)ccc1F ZINC000582705578 357365848 /nfs/dbraw/zinc/36/58/48/357365848.db2.gz TWBYIBXPACPZLD-UHFFFAOYSA-N 0 3 232.302 3.094 20 0 BGADHN Cc1cc(OCc2ccc(F)cn2)c(C)c(C)n1 ZINC000582796597 357398770 /nfs/dbraw/zinc/39/87/70/357398770.db2.gz UIGKZFVSDMCSCP-UHFFFAOYSA-N 0 3 246.285 3.120 20 0 BGADHN Cc1ccc2c(c1)CN(CC(C)(C)C)CCO2 ZINC000582813066 357402670 /nfs/dbraw/zinc/40/26/70/357402670.db2.gz HGAQDBKNAJABQN-UHFFFAOYSA-N 0 3 233.355 3.236 20 0 BGADHN CC1(CNCc2cc(-c3ccccc3)on2)CC1 ZINC000582821122 387953286 /nfs/dbraw/zinc/95/32/86/387953286.db2.gz PLDDDUBGXBRFRP-UHFFFAOYSA-N 0 3 242.322 3.231 20 0 BGADHN C[C@@H](NCc1cnccn1)[C@@H](C)C1CCCCC1 ZINC000582831342 357410357 /nfs/dbraw/zinc/41/03/57/357410357.db2.gz LILCXHAFOMASSP-CHWSQXEVSA-N 0 3 247.386 3.171 20 0 BGADHN C[C@H](NCc1cnccn1)[C@@H](C)C1CCCCC1 ZINC000582831343 357410987 /nfs/dbraw/zinc/41/09/87/357410987.db2.gz LILCXHAFOMASSP-OLZOCXBDSA-N 0 3 247.386 3.171 20 0 BGADHN C[C@@H](NCc1cnccn1)[C@H](C)C1CCCCC1 ZINC000582831344 357410980 /nfs/dbraw/zinc/41/09/80/357410980.db2.gz LILCXHAFOMASSP-QWHCGFSZSA-N 0 3 247.386 3.171 20 0 BGADHN C[C@@H]([C@H](C)NCc1cnccn1)C1CCCCC1 ZINC000582831345 357410940 /nfs/dbraw/zinc/41/09/40/357410940.db2.gz LILCXHAFOMASSP-STQMWFEESA-N 0 3 247.386 3.171 20 0 BGADHN CCCCNCc1nc(C(C)C)n2ccccc12 ZINC000582849428 357418860 /nfs/dbraw/zinc/41/88/60/357418860.db2.gz MJIDEJZOFQEAOV-UHFFFAOYSA-N 0 3 245.370 3.347 20 0 BGADHN Cc1nsc(C)c1CN1CC(C)=C[C@@H](C)C1 ZINC000582853523 357420173 /nfs/dbraw/zinc/42/01/73/357420173.db2.gz HXWTWMNOKAJAIB-SECBINFHSA-N 0 3 236.384 3.158 20 0 BGADHN Cc1nsc(C)c1CN1CC(C)=C[C@H](C)C1 ZINC000582853524 357420224 /nfs/dbraw/zinc/42/02/24/357420224.db2.gz HXWTWMNOKAJAIB-VIFPVBQESA-N 0 3 236.384 3.158 20 0 BGADHN COCC1(CN[C@H](C)c2ccoc2)CCCC1 ZINC000582887353 357431066 /nfs/dbraw/zinc/43/10/66/357431066.db2.gz SIKWMZVUJHKVHD-GFCCVEGCSA-N 0 3 237.343 3.137 20 0 BGADHN COCC1(CN[C@@H](C)c2ccoc2)CCCC1 ZINC000582887354 357431498 /nfs/dbraw/zinc/43/14/98/357431498.db2.gz SIKWMZVUJHKVHD-LBPRGKRZSA-N 0 3 237.343 3.137 20 0 BGADHN CC1(CN2CCC=C(c3ccccn3)C2)CCC1 ZINC000582913708 357434884 /nfs/dbraw/zinc/43/48/84/357434884.db2.gz QWUZCHSKRDYAMW-UHFFFAOYSA-N 0 3 242.366 3.361 20 0 BGADHN COc1ccc(CN[C@H]2CCCC23CC3)c(F)c1 ZINC000582915413 357434864 /nfs/dbraw/zinc/43/48/64/357434864.db2.gz MGQLWAWHQCYPAQ-AWEZNQCLSA-N 0 3 249.329 3.257 20 0 BGADHN COc1ccc(CN[C@@H]2CCCC23CC3)c(F)c1 ZINC000582915415 357435126 /nfs/dbraw/zinc/43/51/26/357435126.db2.gz MGQLWAWHQCYPAQ-CQSZACIVSA-N 0 3 249.329 3.257 20 0 BGADHN CCC(CC)(CC)NCc1nc(C)c(C)[nH]1 ZINC000582915722 357436433 /nfs/dbraw/zinc/43/64/33/357436433.db2.gz OFOMPOWVJSCQFF-UHFFFAOYSA-N 0 3 223.364 3.085 20 0 BGADHN COc1ccsc1CNC1CC(C)(C)C1 ZINC000582915784 357435875 /nfs/dbraw/zinc/43/58/75/357435875.db2.gz PFKDOHWIJNJJKN-UHFFFAOYSA-N 0 3 225.357 3.035 20 0 BGADHN Cc1nc(CN[C@H]2CCC(C)(C)C[C@@H]2C)[nH]c1C ZINC000582916813 357436285 /nfs/dbraw/zinc/43/62/85/357436285.db2.gz XOXLVAQXNCVCSK-GWCFXTLKSA-N 0 3 249.402 3.331 20 0 BGADHN Cc1nc(CN[C@@H]2CCC(C)(C)C[C@@H]2C)[nH]c1C ZINC000582916815 357436685 /nfs/dbraw/zinc/43/66/85/357436685.db2.gz XOXLVAQXNCVCSK-GXFFZTMASA-N 0 3 249.402 3.331 20 0 BGADHN Cc1nc(CN[C@H]2CCC(C)(C)C[C@H]2C)[nH]c1C ZINC000582916816 357435785 /nfs/dbraw/zinc/43/57/85/357435785.db2.gz XOXLVAQXNCVCSK-MFKMUULPSA-N 0 3 249.402 3.331 20 0 BGADHN Cc1nc(CN[C@@H]2CCC(C)(C)C[C@H]2C)[nH]c1C ZINC000582916817 357436484 /nfs/dbraw/zinc/43/64/84/357436484.db2.gz XOXLVAQXNCVCSK-ZWNOBZJWSA-N 0 3 249.402 3.331 20 0 BGADHN Cc1cc([C@@H](C)NCCCC(C)(C)C)nn1C ZINC000582917142 357435845 /nfs/dbraw/zinc/43/58/45/357435845.db2.gz DEIMHBDCFBNBPG-GFCCVEGCSA-N 0 3 237.391 3.205 20 0 BGADHN Cc1cc([C@H](C)NCCCC(C)(C)C)nn1C ZINC000582917143 357436547 /nfs/dbraw/zinc/43/65/47/357436547.db2.gz DEIMHBDCFBNBPG-LBPRGKRZSA-N 0 3 237.391 3.205 20 0 BGADHN Cc1cnccc1CNCC(C)(C)C(F)(F)F ZINC000582945294 357443459 /nfs/dbraw/zinc/44/34/59/357443459.db2.gz CYONAJJBUYFWDC-UHFFFAOYSA-N 0 3 246.276 3.068 20 0 BGADHN Cc1nc(CN[C@H](C)CC2CCCCC2)[nH]c1C ZINC000582976804 357444491 /nfs/dbraw/zinc/44/44/91/357444491.db2.gz UIZZTUZTMYBWKP-LLVKDONJSA-N 0 3 249.402 3.475 20 0 BGADHN C[C@@H]1CN(Cc2ccc(Cl)cn2)C(C)(C)C1 ZINC000582983269 357445169 /nfs/dbraw/zinc/44/51/69/357445169.db2.gz CXXHMDYGRVNSHM-JTQLQIEISA-N 0 3 238.762 3.355 20 0 BGADHN C[C@H]1CN(Cc2ccc(Cl)cn2)C(C)(C)C1 ZINC000582983270 357445304 /nfs/dbraw/zinc/44/53/04/357445304.db2.gz CXXHMDYGRVNSHM-SNVBAGLBSA-N 0 3 238.762 3.355 20 0 BGADHN C(=C/c1ccccc1)\CNCCOCC1CCC1 ZINC000582998580 357454175 /nfs/dbraw/zinc/45/41/75/357454175.db2.gz YORMKBAUSACNFL-BJMVGYQFSA-N 0 3 245.366 3.106 20 0 BGADHN C(=C\c1ccccc1)\CNCCOCC1CCC1 ZINC000582998581 357454519 /nfs/dbraw/zinc/45/45/19/357454519.db2.gz YORMKBAUSACNFL-YHYXMXQVSA-N 0 3 245.366 3.106 20 0 BGADHN CC1(CN2CC(C)(C)[C@H]2c2cccnc2)CC1 ZINC000583061256 357470859 /nfs/dbraw/zinc/47/08/59/357470859.db2.gz QXJHOWHCEFSTTM-CYBMUJFWSA-N 0 3 230.355 3.265 20 0 BGADHN CC1(CN2CC(C)(C)[C@@H]2c2cccnc2)CC1 ZINC000583061257 357470661 /nfs/dbraw/zinc/47/06/61/357470661.db2.gz QXJHOWHCEFSTTM-ZDUSSCGKSA-N 0 3 230.355 3.265 20 0 BGADHN CCCCCN1CCC=C(c2ccccn2)C1 ZINC000583062927 357471835 /nfs/dbraw/zinc/47/18/35/357471835.db2.gz CEHGKKOGQALCJU-UHFFFAOYSA-N 0 3 230.355 3.361 20 0 BGADHN CCc1cc(CNC2CC3(C2)CCCCC3)on1 ZINC000583078043 357473658 /nfs/dbraw/zinc/47/36/58/357473658.db2.gz VGKLSBXGCYPPBM-UHFFFAOYSA-N 0 3 248.370 3.440 20 0 BGADHN CC[C@H]1CCCC[C@H]1N(C)Cc1ccnn1CC ZINC000583111532 357476121 /nfs/dbraw/zinc/47/61/21/357476121.db2.gz XQRAMGGWZSUNFM-DZGCQCFKSA-N 0 3 249.402 3.304 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1N(C)Cc1ccnn1CC ZINC000583111533 357476230 /nfs/dbraw/zinc/47/62/30/357476230.db2.gz XQRAMGGWZSUNFM-HIFRSBDPSA-N 0 3 249.402 3.304 20 0 BGADHN CC[C@@H]1CCCC[C@H]1N(C)Cc1ccnn1CC ZINC000583111534 357476658 /nfs/dbraw/zinc/47/66/58/357476658.db2.gz XQRAMGGWZSUNFM-UKRRQHHQSA-N 0 3 249.402 3.304 20 0 BGADHN CC[C@H]1CCCC[C@@H]1N(C)Cc1ccnn1CC ZINC000583111535 357476170 /nfs/dbraw/zinc/47/61/70/357476170.db2.gz XQRAMGGWZSUNFM-ZFWWWQNUSA-N 0 3 249.402 3.304 20 0 BGADHN CC1(CN2CCOC3(C2)CCCCCC3)CC1 ZINC000583120035 357489771 /nfs/dbraw/zinc/48/97/71/357489771.db2.gz WNKTXYNTKMYHQZ-UHFFFAOYSA-N 0 3 237.387 3.212 20 0 BGADHN c1ccc(OC2CC2)c(CNC2(C3CC3)CC2)c1 ZINC000583124885 357492408 /nfs/dbraw/zinc/49/24/08/357492408.db2.gz RTWRZGTWOILVMT-UHFFFAOYSA-N 0 3 243.350 3.260 20 0 BGADHN FC1(CN2CC(C3CCCCC3)C2)CC1 ZINC000583189736 357514695 /nfs/dbraw/zinc/51/46/95/357514695.db2.gz XJFSBKWHUNYXOW-UHFFFAOYSA-N 0 3 211.324 3.001 20 0 BGADHN Cc1nc(CNC(C)(C)CC(C)(C)C)[nH]c1C ZINC000583214434 357564375 /nfs/dbraw/zinc/56/43/75/357564375.db2.gz FPIZLWPCWBKKAB-UHFFFAOYSA-N 0 3 237.391 3.331 20 0 BGADHN CN(Cc1ccc2c(n1)CCC2)CC1CCCC1 ZINC000583248840 357710934 /nfs/dbraw/zinc/71/09/34/357710934.db2.gz BWFGWHFEMLDIHZ-UHFFFAOYSA-N 0 3 244.382 3.192 20 0 BGADHN Cc1ccc2c(c1)[C@H](N[C@H](C)[C@@H]1C[C@@H]1C)CO2 ZINC000583250390 357712615 /nfs/dbraw/zinc/71/26/15/357712615.db2.gz RFOUYVHYMCFYLY-FMCLSXCISA-N 0 3 231.339 3.063 20 0 BGADHN Cc1ccc2c(c1)[C@H](N[C@H](C)[C@@H]1C[C@H]1C)CO2 ZINC000583250395 357712806 /nfs/dbraw/zinc/71/28/06/357712806.db2.gz RFOUYVHYMCFYLY-HKUMRIAESA-N 0 3 231.339 3.063 20 0 BGADHN Cc1ccc2c(c1)[C@H](N[C@H](C)[C@H]1C[C@@H]1C)CO2 ZINC000583250397 357713205 /nfs/dbraw/zinc/71/32/05/357713205.db2.gz RFOUYVHYMCFYLY-KZVDOYCCSA-N 0 3 231.339 3.063 20 0 BGADHN Cc1ccc2c(c1)[C@H](N[C@H](C)[C@H]1C[C@H]1C)CO2 ZINC000583250398 357713251 /nfs/dbraw/zinc/71/32/51/357713251.db2.gz RFOUYVHYMCFYLY-NRWUCQMLSA-N 0 3 231.339 3.063 20 0 BGADHN CCCC[C@@H](C)N(C)Cc1cccc2c1OCO2 ZINC000583295132 357864323 /nfs/dbraw/zinc/86/43/23/357864323.db2.gz PVCNFLPQPFEJCO-GFCCVEGCSA-N 0 3 249.354 3.426 20 0 BGADHN CCCC[C@H](C)N(C)Cc1cccc2c1OCO2 ZINC000583295133 357863847 /nfs/dbraw/zinc/86/38/47/357863847.db2.gz PVCNFLPQPFEJCO-LBPRGKRZSA-N 0 3 249.354 3.426 20 0 BGADHN CCC(CC)N(Cc1cncn1CC)C1CC1 ZINC000583311842 357894462 /nfs/dbraw/zinc/89/44/62/357894462.db2.gz YKRPCVMLCMHXDM-UHFFFAOYSA-N 0 3 235.375 3.056 20 0 BGADHN CCCc1nc(C)c(CN(C)C(C)(C)C)o1 ZINC000583320438 357902423 /nfs/dbraw/zinc/90/24/23/357902423.db2.gz UMPVBMRJZQYGEJ-UHFFFAOYSA-N 0 3 224.348 3.166 20 0 BGADHN CCCCCN1CCC2(C1)Oc1ccccc1O2 ZINC000583329451 357889662 /nfs/dbraw/zinc/88/96/62/357889662.db2.gz YHGDUDJAEHKNBU-UHFFFAOYSA-N 0 3 247.338 3.050 20 0 BGADHN CCCCCN1CCN(C)C2(CCCCC2)C1 ZINC000583329824 342700393 /nfs/dbraw/zinc/70/03/93/342700393.db2.gz CYOGPSYNHRTJNM-UHFFFAOYSA-N 0 3 238.419 3.127 20 0 BGADHN c1ccc2c(CN[C@H]3CCC34CCC4)noc2c1 ZINC000583332600 342735473 /nfs/dbraw/zinc/73/54/73/342735473.db2.gz MWTALABLETVFAF-AWEZNQCLSA-N 0 3 242.322 3.250 20 0 BGADHN c1ccc2c(CN[C@@H]3CCC34CCC4)noc2c1 ZINC000583332601 342735520 /nfs/dbraw/zinc/73/55/20/342735520.db2.gz MWTALABLETVFAF-CQSZACIVSA-N 0 3 242.322 3.250 20 0 BGADHN CC[C@@H](Cc1ccc(C)cc1)NCc1ccno1 ZINC000583381900 344858255 /nfs/dbraw/zinc/85/82/55/344858255.db2.gz RPGMXFIYDOAIQU-AWEZNQCLSA-N 0 3 244.338 3.094 20 0 BGADHN CC[C@H](Cc1ccc(C)cc1)NCc1ccno1 ZINC000583381901 344858206 /nfs/dbraw/zinc/85/82/06/344858206.db2.gz RPGMXFIYDOAIQU-CQSZACIVSA-N 0 3 244.338 3.094 20 0 BGADHN Cc1nc(CN[C@H]2CCC[C@H](C(C)C)C2)[nH]c1C ZINC000583392806 344879674 /nfs/dbraw/zinc/87/96/74/344879674.db2.gz QJZIYEYTQIJILS-KBPBESRZSA-N 0 3 249.402 3.331 20 0 BGADHN Cc1nc(CN[C@H]2CCC[C@@H](C(C)C)C2)[nH]c1C ZINC000583392807 344879554 /nfs/dbraw/zinc/87/95/54/344879554.db2.gz QJZIYEYTQIJILS-KGLIPLIRSA-N 0 3 249.402 3.331 20 0 BGADHN Cc1nc(CN[C@@H]2CCC[C@H](C(C)C)C2)[nH]c1C ZINC000583392808 344879213 /nfs/dbraw/zinc/87/92/13/344879213.db2.gz QJZIYEYTQIJILS-UONOGXRCSA-N 0 3 249.402 3.331 20 0 BGADHN Cc1nc(CN[C@@H]2CCC[C@@H](C(C)C)C2)[nH]c1C ZINC000583392809 344879523 /nfs/dbraw/zinc/87/95/23/344879523.db2.gz QJZIYEYTQIJILS-ZIAGYGMSSA-N 0 3 249.402 3.331 20 0 BGADHN Cc1nc(CNCC(C)(C)C(C)(C)C)[nH]c1C ZINC000583392876 344879253 /nfs/dbraw/zinc/87/92/53/344879253.db2.gz SGBHZAMVAGKNET-UHFFFAOYSA-N 0 3 237.391 3.188 20 0 BGADHN COc1ccc2c(c1F)CC[C@H]2NCC=C(C)C ZINC000583404360 344900533 /nfs/dbraw/zinc/90/05/33/344900533.db2.gz PJUHEUOLBSDHDS-CYBMUJFWSA-N 0 3 249.329 3.377 20 0 BGADHN COc1ccc2c(c1F)CC[C@@H]2NCC=C(C)C ZINC000583404361 344900479 /nfs/dbraw/zinc/90/04/79/344900479.db2.gz PJUHEUOLBSDHDS-ZDUSSCGKSA-N 0 3 249.329 3.377 20 0 BGADHN CCCN(Cc1cncn1C(C)C)C(C)C ZINC000583451255 344998559 /nfs/dbraw/zinc/99/85/59/344998559.db2.gz PJKVAKLVSXHHKS-UHFFFAOYSA-N 0 3 223.364 3.084 20 0 BGADHN CN(Cc1ccc2c(n1)CCC2)CC(C)(C)C ZINC000583485467 352563167 /nfs/dbraw/zinc/56/31/67/352563167.db2.gz VTUHERSWUPDLIM-UHFFFAOYSA-N 0 3 232.371 3.048 20 0 BGADHN CC1(C)CCN1C/C=C\c1ccc(F)c(F)c1 ZINC000583526272 355388485 /nfs/dbraw/zinc/38/84/85/355388485.db2.gz DDOYWDIJPCAHNE-ARJAWSKDSA-N 0 3 237.293 3.462 20 0 BGADHN CC1(C)CCN1C/C=C/c1ccc(F)c(F)c1 ZINC000583526273 355388582 /nfs/dbraw/zinc/38/85/82/355388582.db2.gz DDOYWDIJPCAHNE-ONEGZZNKSA-N 0 3 237.293 3.462 20 0 BGADHN CCC1CC(N[C@@H]2c3ccccc3O[C@@H]2C)C1 ZINC000583532462 355396455 /nfs/dbraw/zinc/39/64/55/355396455.db2.gz CEMFZDJBLUMYJR-FLRBZUCHSA-N 0 3 231.339 3.287 20 0 BGADHN CCC1CC(N[C@@H]2c3ccccc3O[C@H]2C)C1 ZINC000583532463 355396309 /nfs/dbraw/zinc/39/63/09/355396309.db2.gz CEMFZDJBLUMYJR-QZLRTXKQSA-N 0 3 231.339 3.287 20 0 BGADHN CCC1CC(N[C@H]2c3ccccc3O[C@@H]2C)C1 ZINC000583532464 355396324 /nfs/dbraw/zinc/39/63/24/355396324.db2.gz CEMFZDJBLUMYJR-TVRADYJESA-N 0 3 231.339 3.287 20 0 BGADHN CCC1CC(N[C@H]2c3ccccc3O[C@H]2C)C1 ZINC000583532465 355396440 /nfs/dbraw/zinc/39/64/40/355396440.db2.gz CEMFZDJBLUMYJR-ZIULKBFBSA-N 0 3 231.339 3.287 20 0 BGADHN Cc1cc(CN(C)Cc2ccn(C)c2)ccc1F ZINC000583544701 355521451 /nfs/dbraw/zinc/52/14/51/355521451.db2.gz JENXGIAUQSZBCP-UHFFFAOYSA-N 0 3 246.329 3.105 20 0 BGADHN CC(C)COc1ccccc1CNCCCF ZINC000583545739 355521968 /nfs/dbraw/zinc/52/19/68/355521968.db2.gz SKQHSRXVWCIMHR-UHFFFAOYSA-N 0 3 239.334 3.171 20 0 BGADHN CCC[C@H](C)[C@@H](CO)N[C@H](C)c1ccc(C)o1 ZINC000583569204 355633002 /nfs/dbraw/zinc/63/30/02/355633002.db2.gz PJBGWUPPQBDISG-CYZMBNFOSA-N 0 3 239.359 3.036 20 0 BGADHN CCC[C@H](C)[C@H](CO)N[C@@H](C)c1ccc(C)o1 ZINC000583569205 355632844 /nfs/dbraw/zinc/63/28/44/355632844.db2.gz PJBGWUPPQBDISG-DRZSPHRISA-N 0 3 239.359 3.036 20 0 BGADHN CCC[C@H](C)[C@H](CO)N[C@H](C)c1ccc(C)o1 ZINC000583569206 355632865 /nfs/dbraw/zinc/63/28/65/355632865.db2.gz PJBGWUPPQBDISG-UHTWSYAYSA-N 0 3 239.359 3.036 20 0 BGADHN CCC[C@H](C)[C@@H](CO)N[C@@H](C)c1ccc(C)o1 ZINC000583569207 355632712 /nfs/dbraw/zinc/63/27/12/355632712.db2.gz PJBGWUPPQBDISG-WCFLWFBJSA-N 0 3 239.359 3.036 20 0 BGADHN Cc1nc(CNCC2(C)CCCCCC2)[nH]c1C ZINC000583575954 355657392 /nfs/dbraw/zinc/65/73/92/355657392.db2.gz XTXUHYLOFUBKQO-UHFFFAOYSA-N 0 3 249.402 3.477 20 0 BGADHN CC[C@@H](C)[C@H]1CCCCN1Cc1cc(C)no1 ZINC000583591859 355703854 /nfs/dbraw/zinc/70/38/54/355703854.db2.gz IXAVZNLEJPEBKS-BXUZGUMPSA-N 0 3 236.359 3.384 20 0 BGADHN CC[C@H](C)[C@@H]1CCCCN1Cc1cc(C)no1 ZINC000583591860 355703999 /nfs/dbraw/zinc/70/39/99/355703999.db2.gz IXAVZNLEJPEBKS-FZMZJTMJSA-N 0 3 236.359 3.384 20 0 BGADHN CC[C@@H](C)[C@@H]1CCCCN1Cc1cc(C)no1 ZINC000583591861 355704089 /nfs/dbraw/zinc/70/40/89/355704089.db2.gz IXAVZNLEJPEBKS-RISCZKNCSA-N 0 3 236.359 3.384 20 0 BGADHN CC[C@H](C)[C@H]1CCCCN1Cc1cc(C)no1 ZINC000583591862 355703840 /nfs/dbraw/zinc/70/38/40/355703840.db2.gz IXAVZNLEJPEBKS-SMDDNHRTSA-N 0 3 236.359 3.384 20 0 BGADHN CCO[C@@H]1C[C@H]1NCc1csc2ccccc12 ZINC000583603746 355734108 /nfs/dbraw/zinc/73/41/08/355734108.db2.gz XJZPXFMTNVGVFP-CHWSQXEVSA-N 0 3 247.363 3.168 20 0 BGADHN CCO[C@H]1C[C@H]1NCc1csc2ccccc12 ZINC000583603747 355734123 /nfs/dbraw/zinc/73/41/23/355734123.db2.gz XJZPXFMTNVGVFP-OLZOCXBDSA-N 0 3 247.363 3.168 20 0 BGADHN CCO[C@@H]1C[C@@H]1NCc1csc2ccccc12 ZINC000583603748 355733830 /nfs/dbraw/zinc/73/38/30/355733830.db2.gz XJZPXFMTNVGVFP-QWHCGFSZSA-N 0 3 247.363 3.168 20 0 BGADHN CCO[C@H]1C[C@@H]1NCc1csc2ccccc12 ZINC000583603749 355734053 /nfs/dbraw/zinc/73/40/53/355734053.db2.gz XJZPXFMTNVGVFP-STQMWFEESA-N 0 3 247.363 3.168 20 0 BGADHN c1ccc(OC2CC2)c(CN2C3CCC2CC3)c1 ZINC000583605539 355742112 /nfs/dbraw/zinc/74/21/12/355742112.db2.gz MUAKHFQHJUIZIV-UHFFFAOYSA-N 0 3 243.350 3.355 20 0 BGADHN CCc1ccc(CN2CC(C)(C)[C@@H]2C2CC2)o1 ZINC000583698178 357272535 /nfs/dbraw/zinc/27/25/35/357272535.db2.gz PLBUYZUKXLQHKR-AWEZNQCLSA-N 0 3 233.355 3.462 20 0 BGADHN CCc1ccc(CN2CC(C)(C)[C@H]2C2CC2)o1 ZINC000583698179 357272918 /nfs/dbraw/zinc/27/29/18/357272918.db2.gz PLBUYZUKXLQHKR-CQSZACIVSA-N 0 3 233.355 3.462 20 0 BGADHN Cc1ncncc1[C@@H](C)NCC1(CC(C)C)CC1 ZINC000583703876 357283566 /nfs/dbraw/zinc/28/35/66/357283566.db2.gz MRYPJGDSJIARAI-GFCCVEGCSA-N 0 3 247.386 3.262 20 0 BGADHN Cc1ncncc1[C@H](C)NCC1(CC(C)C)CC1 ZINC000583703877 357283662 /nfs/dbraw/zinc/28/36/62/357283662.db2.gz MRYPJGDSJIARAI-LBPRGKRZSA-N 0 3 247.386 3.262 20 0 BGADHN CCC(CC)N(CC)CC(=O)Nc1ccccc1 ZINC000583716454 357907533 /nfs/dbraw/zinc/90/75/33/357907533.db2.gz CHYWRIOTHIZTAJ-UHFFFAOYSA-N 0 3 248.370 3.136 20 0 BGADHN FCCCCN1CC[C@@](F)(c2ccccc2)C1 ZINC000583768822 357943128 /nfs/dbraw/zinc/94/31/28/357943128.db2.gz ZJXFPKGTXFWCMS-AWEZNQCLSA-N 0 3 239.309 3.307 20 0 BGADHN FCCCCN1CC[C@](F)(c2ccccc2)C1 ZINC000583768823 357942983 /nfs/dbraw/zinc/94/29/83/357942983.db2.gz ZJXFPKGTXFWCMS-CQSZACIVSA-N 0 3 239.309 3.307 20 0 BGADHN C[C@@H]1C[C@H](C)N1CCO[C@H]1CCCC[C@H]1C ZINC000583787103 357942107 /nfs/dbraw/zinc/94/21/07/357942107.db2.gz QTKAKZXMQAFUMV-MQYQWHSLSA-N 0 3 225.376 3.064 20 0 BGADHN C[C@H]1C[C@H](C)N1CCO[C@H]1CCCC[C@H]1C ZINC000583787104 357942407 /nfs/dbraw/zinc/94/24/07/357942407.db2.gz QTKAKZXMQAFUMV-RFGFWPKPSA-N 0 3 225.376 3.064 20 0 BGADHN C[C@@H]1C[C@@H](C)N1CCO[C@H]1CCCC[C@H]1C ZINC000583787105 357942442 /nfs/dbraw/zinc/94/24/42/357942442.db2.gz QTKAKZXMQAFUMV-SYQHCUMBSA-N 0 3 225.376 3.064 20 0 BGADHN C[C@@H]1C[C@H](C)N1CCO[C@@H]1CCCC[C@H]1C ZINC000583787106 357942145 /nfs/dbraw/zinc/94/21/45/357942145.db2.gz QTKAKZXMQAFUMV-YIYPIFLZSA-N 0 3 225.376 3.064 20 0 BGADHN COc1ccc(CN2CC[C@@H](C)[C@H]2C)c(F)c1 ZINC000583816631 357961092 /nfs/dbraw/zinc/96/10/92/357961092.db2.gz FSFSLNJTYIHKDJ-GHMZBOCLSA-N 0 3 237.318 3.065 20 0 BGADHN COc1ccc(CN2CC[C@@H](C)[C@@H]2C)c(F)c1 ZINC000583816632 357960806 /nfs/dbraw/zinc/96/08/06/357960806.db2.gz FSFSLNJTYIHKDJ-MNOVXSKESA-N 0 3 237.318 3.065 20 0 BGADHN COc1ccc(CN2CC[C@H](C)[C@@H]2C)c(F)c1 ZINC000583816633 357960993 /nfs/dbraw/zinc/96/09/93/357960993.db2.gz FSFSLNJTYIHKDJ-QWRGUYRKSA-N 0 3 237.318 3.065 20 0 BGADHN COc1ccc(CN2CC[C@H](C)[C@H]2C)c(F)c1 ZINC000583816634 357961106 /nfs/dbraw/zinc/96/11/06/357961106.db2.gz FSFSLNJTYIHKDJ-WDEREUQCSA-N 0 3 237.318 3.065 20 0 BGADHN CCc1cnc(CN(CC2CC2)CC2CCC2)o1 ZINC000583847406 357972128 /nfs/dbraw/zinc/97/21/28/357972128.db2.gz XFRFVRXDKWNOSN-UHFFFAOYSA-N 0 3 248.370 3.249 20 0 BGADHN COc1ccc(CN2CCCC2(C)C)c(F)c1 ZINC000583876278 358088557 /nfs/dbraw/zinc/08/85/57/358088557.db2.gz LTYGMWFYQVROAR-UHFFFAOYSA-N 0 3 237.318 3.209 20 0 BGADHN Fc1ccc(CN[C@@H]2[C@@H]3CCC[C@@H]32)c(Cl)c1 ZINC000583883122 358119246 /nfs/dbraw/zinc/11/92/46/358119246.db2.gz GKFHTLKBQKDKOW-PTEHBNRSSA-N 0 3 239.721 3.367 20 0 BGADHN CC(C)CC(CC(C)C)NCc1ncccn1 ZINC000583946102 342730886 /nfs/dbraw/zinc/73/08/86/342730886.db2.gz PZWTUKPCVLDDLG-UHFFFAOYSA-N 0 3 235.375 3.027 20 0 BGADHN CC1(C2CC2)CCN(CC2(F)CC2)CC1 ZINC000583966542 342782161 /nfs/dbraw/zinc/78/21/61/342782161.db2.gz HMEOMNWVOICZMC-UHFFFAOYSA-N 0 3 211.324 3.001 20 0 BGADHN Cc1ccc(CCN[C@H](C)c2cncc(F)c2)o1 ZINC000583969542 342785273 /nfs/dbraw/zinc/78/52/73/342785273.db2.gz MTQNMVFTNZKLGW-LLVKDONJSA-N 0 3 248.301 3.015 20 0 BGADHN Cc1ccc(CCN[C@@H](C)c2cncc(F)c2)o1 ZINC000583969543 342785212 /nfs/dbraw/zinc/78/52/12/342785212.db2.gz MTQNMVFTNZKLGW-NSHDSACASA-N 0 3 248.301 3.015 20 0 BGADHN Cc1cc(N[C@@H]2CCC[C@@H]2F)c2ccccc2n1 ZINC000583982662 342823253 /nfs/dbraw/zinc/82/32/53/342823253.db2.gz PFDGUDMDHAAAFP-GXTWGEPZSA-N 0 3 244.313 3.268 20 0 BGADHN CC1(C)CC[C@H]1NCc1nc2cc(F)ccc2o1 ZINC000584003164 342899937 /nfs/dbraw/zinc/89/99/37/342899937.db2.gz XKHYQDDMDSUDJD-GFCCVEGCSA-N 0 3 248.301 3.245 20 0 BGADHN CC1(C)CC[C@@H]1NCc1nc2cc(F)ccc2o1 ZINC000584003165 342900015 /nfs/dbraw/zinc/90/00/15/342900015.db2.gz XKHYQDDMDSUDJD-LBPRGKRZSA-N 0 3 248.301 3.245 20 0 BGADHN Cc1ncc(COc2cc(C)nc(C)c2C)s1 ZINC000584004740 342900270 /nfs/dbraw/zinc/90/02/70/342900270.db2.gz UBKUENIIRHOFOZ-UHFFFAOYSA-N 0 3 248.351 3.351 20 0 BGADHN Cc1ccoc1CNC1CCC2(CCCO2)CC1 ZINC000584029803 342998055 /nfs/dbraw/zinc/99/80/55/342998055.db2.gz PRRWKFNDJCLECE-UHFFFAOYSA-N 0 3 249.354 3.169 20 0 BGADHN C[C@@H](CN1CCC[C@@H]1CF)c1ccccc1 ZINC000584066669 343312506 /nfs/dbraw/zinc/31/25/06/343312506.db2.gz FYNRLCGWGDFNBK-GXTWGEPZSA-N 0 3 221.319 3.224 20 0 BGADHN C[C@@H](CN1CCC[C@H]1CF)c1ccccc1 ZINC000584066670 343312621 /nfs/dbraw/zinc/31/26/21/343312621.db2.gz FYNRLCGWGDFNBK-JSGCOSHPSA-N 0 3 221.319 3.224 20 0 BGADHN C[C@H](CN1CCC[C@H]1CF)c1ccccc1 ZINC000584066671 343312533 /nfs/dbraw/zinc/31/25/33/343312533.db2.gz FYNRLCGWGDFNBK-OCCSQVGLSA-N 0 3 221.319 3.224 20 0 BGADHN C[C@H](CN1CCC[C@@H]1CF)c1ccccc1 ZINC000584066672 343312672 /nfs/dbraw/zinc/31/26/72/343312672.db2.gz FYNRLCGWGDFNBK-TZMCWYRMSA-N 0 3 221.319 3.224 20 0 BGADHN Cc1ccc(F)c(CN2CC(C3CCC3)C2)c1 ZINC000584080780 343349126 /nfs/dbraw/zinc/34/91/26/343349126.db2.gz RSQXMNTXZRFBBW-UHFFFAOYSA-N 0 3 233.330 3.366 20 0 BGADHN CC[C@@H]1COCCN1C[C@@H]1CC(C)=C[C@H](C)C1 ZINC000584084841 343375120 /nfs/dbraw/zinc/37/51/20/343375120.db2.gz GYXPDXVCYAJFOD-AEGPPILISA-N 0 3 237.387 3.090 20 0 BGADHN CC[C@@H]1COCCN1C[C@H]1CC(C)=C[C@@H](C)C1 ZINC000584084842 343375212 /nfs/dbraw/zinc/37/52/12/343375212.db2.gz GYXPDXVCYAJFOD-BPLDGKMQSA-N 0 3 237.387 3.090 20 0 BGADHN CC[C@@H]1COCCN1C[C@H]1CC(C)=C[C@H](C)C1 ZINC000584084843 343375616 /nfs/dbraw/zinc/37/56/16/343375616.db2.gz GYXPDXVCYAJFOD-NWANDNLSSA-N 0 3 237.387 3.090 20 0 BGADHN CC[C@@H]1COCCN1C[C@@H]1CC(C)=C[C@@H](C)C1 ZINC000584084844 343375371 /nfs/dbraw/zinc/37/53/71/343375371.db2.gz GYXPDXVCYAJFOD-VHDGCEQUSA-N 0 3 237.387 3.090 20 0 BGADHN CC[C@@H](NCc1ncccc1F)C1CCCC1 ZINC000584093940 343537885 /nfs/dbraw/zinc/53/78/85/343537885.db2.gz YAQKWLRCEBGVKO-CYBMUJFWSA-N 0 3 236.334 3.279 20 0 BGADHN CC[C@H](NCc1ncccc1F)C1CCCC1 ZINC000584093941 343537776 /nfs/dbraw/zinc/53/77/76/343537776.db2.gz YAQKWLRCEBGVKO-ZDUSSCGKSA-N 0 3 236.334 3.279 20 0 BGADHN CCn1c2ccccc2nc1CN(C)C(C)(C)C ZINC000584114260 343759552 /nfs/dbraw/zinc/75/95/52/343759552.db2.gz QVVMUVHVERFLCX-UHFFFAOYSA-N 0 3 245.370 3.287 20 0 BGADHN Cc1cccc(CN(C2CC2)C2CCCC2)n1 ZINC000584139290 343764774 /nfs/dbraw/zinc/76/47/74/343764774.db2.gz CSRJMTKIKXUOEJ-UHFFFAOYSA-N 0 3 230.355 3.297 20 0 BGADHN C[C@@H]1CC[C@H](N(C)Cc2ccc3c(n2)CCC3)C1 ZINC000584158538 343766845 /nfs/dbraw/zinc/76/68/45/343766845.db2.gz VJNOYXYUHCNPTK-DOMZBBRYSA-N 0 3 244.382 3.191 20 0 BGADHN C[C@@H]1CC[C@@H](N(C)Cc2ccc3c(n2)CCC3)C1 ZINC000584158539 343766707 /nfs/dbraw/zinc/76/67/07/343766707.db2.gz VJNOYXYUHCNPTK-IUODEOHRSA-N 0 3 244.382 3.191 20 0 BGADHN C[C@H]1CC[C@@H](N(C)Cc2ccc3c(n2)CCC3)C1 ZINC000584158540 343766799 /nfs/dbraw/zinc/76/67/99/343766799.db2.gz VJNOYXYUHCNPTK-SWLSCSKDSA-N 0 3 244.382 3.191 20 0 BGADHN C[C@H]1CC[C@H](N(C)Cc2ccc3c(n2)CCC3)C1 ZINC000584158541 343766824 /nfs/dbraw/zinc/76/68/24/343766824.db2.gz VJNOYXYUHCNPTK-WFASDCNBSA-N 0 3 244.382 3.191 20 0 BGADHN C[C@H]1CN([C@H]2C=CCCCCC2)CC(C)(C)O1 ZINC000584163285 343767241 /nfs/dbraw/zinc/76/72/41/343767241.db2.gz RHDLTTJJKUZHAC-KBPBESRZSA-N 0 3 237.387 3.375 20 0 BGADHN C[C@@H]1CN([C@H]2C=CCCCCC2)CC(C)(C)O1 ZINC000584163286 343767149 /nfs/dbraw/zinc/76/71/49/343767149.db2.gz RHDLTTJJKUZHAC-KGLIPLIRSA-N 0 3 237.387 3.375 20 0 BGADHN C[C@H]1CN([C@@H]2C=CCCCCC2)CC(C)(C)O1 ZINC000584163287 343767246 /nfs/dbraw/zinc/76/72/46/343767246.db2.gz RHDLTTJJKUZHAC-UONOGXRCSA-N 0 3 237.387 3.375 20 0 BGADHN C[C@@H]1CN([C@@H]2C=CCCCCC2)CC(C)(C)O1 ZINC000584163288 343767087 /nfs/dbraw/zinc/76/70/87/343767087.db2.gz RHDLTTJJKUZHAC-ZIAGYGMSSA-N 0 3 237.387 3.375 20 0 BGADHN Cc1cc(CN[C@H]2C=CCCC2)cc(C)c1O ZINC000584199106 343772250 /nfs/dbraw/zinc/77/22/50/343772250.db2.gz QTYRONFJSNGWJH-AWEZNQCLSA-N 0 3 231.339 3.207 20 0 BGADHN Cc1cc(CN[C@@H]2C=CCCC2)cc(C)c1O ZINC000584199107 343771981 /nfs/dbraw/zinc/77/19/81/343771981.db2.gz QTYRONFJSNGWJH-CQSZACIVSA-N 0 3 231.339 3.207 20 0 BGADHN CN(Cc1cnc(C2CC2)s1)C(C)(C)C ZINC000584232730 343776625 /nfs/dbraw/zinc/77/66/25/343776625.db2.gz QIEFSOQCJCMCRW-UHFFFAOYSA-N 0 3 224.373 3.251 20 0 BGADHN CC1(C)CCN(Cc2ccc3c(n2)CCC3)CC1 ZINC000584277353 344374703 /nfs/dbraw/zinc/37/47/03/344374703.db2.gz YZPACBCIGAGQJA-UHFFFAOYSA-N 0 3 244.382 3.192 20 0 BGADHN Cc1ccc(CN2C[C@H](C)OC3(CCC3)C2)cc1 ZINC000584289892 344424805 /nfs/dbraw/zinc/42/48/05/344424805.db2.gz OLEALFFOZAHAHK-AWEZNQCLSA-N 0 3 245.366 3.138 20 0 BGADHN Cc1ccc(CN2C[C@@H](C)OC3(CCC3)C2)cc1 ZINC000584289893 344424893 /nfs/dbraw/zinc/42/48/93/344424893.db2.gz OLEALFFOZAHAHK-CQSZACIVSA-N 0 3 245.366 3.138 20 0 BGADHN CC(C)n1ccc(CNC2CCC3(CC3)CC2)n1 ZINC000584326874 346769916 /nfs/dbraw/zinc/76/99/16/346769916.db2.gz ORSHHVQULSUDGM-UHFFFAOYSA-N 0 3 247.386 3.276 20 0 BGADHN CCCN(Cc1c(C)nsc1C)CC1CC1 ZINC000584329444 582962603 /nfs/dbraw/zinc/96/26/03/582962603.db2.gz FUFOADVVKYADIZ-UHFFFAOYSA-N 0 3 238.400 3.382 20 0 BGADHN NCc1ccccc1OCCCc1ccsc1 ZINC000584345831 355366022 /nfs/dbraw/zinc/36/60/22/355366022.db2.gz DHLJNJYBPAYDBV-UHFFFAOYSA-N 0 3 247.363 3.218 20 0 BGADHN CC(C)[C@@H](N[C@H]1C[C@@H]1C(F)F)c1cccnc1 ZINC000584369086 357446834 /nfs/dbraw/zinc/44/68/34/357446834.db2.gz WRIVLWQVOSQKTB-SDDRHHMPSA-N 0 3 240.297 3.022 20 0 BGADHN CC1(CN2CCC=C(c3ccco3)C2)CC1 ZINC000584377732 357467675 /nfs/dbraw/zinc/46/76/75/357467675.db2.gz CCDZWAZRGSZSPT-UHFFFAOYSA-N 0 3 217.312 3.169 20 0 BGADHN CCc1ccc(CN2CC[C@@H]2CC)s1 ZINC000584387412 357482295 /nfs/dbraw/zinc/48/22/95/357482295.db2.gz GAHKALUZUPOGHH-JTQLQIEISA-N 0 3 209.358 3.295 20 0 BGADHN CCc1ccc(CN2CC[C@H]2CC)s1 ZINC000584387413 357482624 /nfs/dbraw/zinc/48/26/24/357482624.db2.gz GAHKALUZUPOGHH-SNVBAGLBSA-N 0 3 209.358 3.295 20 0 BGADHN CCCN(Cc1cc(C(F)(F)F)n[nH]1)C(C)C ZINC000584421254 357918069 /nfs/dbraw/zinc/91/80/69/357918069.db2.gz JHPAKXVRWKUSBS-UHFFFAOYSA-N 0 3 249.280 3.049 20 0 BGADHN CCO[C@@H]1C[C@H]1N[C@H](c1ccc(F)cc1)C1CC1 ZINC000584449872 357963390 /nfs/dbraw/zinc/96/33/90/357963390.db2.gz MOKUOZJXPSRRJL-KFWWJZLASA-N 0 3 249.329 3.044 20 0 BGADHN CCO[C@@H]1C[C@H]1N[C@@H](c1ccc(F)cc1)C1CC1 ZINC000584449873 357963561 /nfs/dbraw/zinc/96/35/61/357963561.db2.gz MOKUOZJXPSRRJL-RBSFLKMASA-N 0 3 249.329 3.044 20 0 BGADHN CCO[C@@H]1C[C@@H]1N[C@@H](c1ccc(F)cc1)C1CC1 ZINC000584449874 357963500 /nfs/dbraw/zinc/96/35/00/357963500.db2.gz MOKUOZJXPSRRJL-RRFJBIMHSA-N 0 3 249.329 3.044 20 0 BGADHN CCO[C@@H]1C[C@@H]1N[C@H](c1ccc(F)cc1)C1CC1 ZINC000584449875 357963579 /nfs/dbraw/zinc/96/35/79/357963579.db2.gz MOKUOZJXPSRRJL-ZNMIVQPWSA-N 0 3 249.329 3.044 20 0 BGADHN C[C@@H]1CCCCCN1Cc1ccc2c(n1)CCC2 ZINC000584455430 357967970 /nfs/dbraw/zinc/96/79/70/357967970.db2.gz YZPSFVZYQNSLPK-CYBMUJFWSA-N 0 3 244.382 3.335 20 0 BGADHN C[C@H]1CCCCCN1Cc1ccc2c(n1)CCC2 ZINC000584455431 357967565 /nfs/dbraw/zinc/96/75/65/357967565.db2.gz YZPSFVZYQNSLPK-ZDUSSCGKSA-N 0 3 244.382 3.335 20 0 BGADHN CCC1CN(Cc2cc(C)sc2C)C1 ZINC000584511984 358024596 /nfs/dbraw/zinc/02/45/96/358024596.db2.gz SQCAJFGDLISJQZ-UHFFFAOYSA-N 0 3 209.358 3.207 20 0 BGADHN CCc1cnc(CN[C@@H]2CCC[C@@H](F)C2)s1 ZINC000584528889 358041873 /nfs/dbraw/zinc/04/18/73/358041873.db2.gz DFBRTTSBEZXKJZ-NXEZZACHSA-N 0 3 242.363 3.076 20 0 BGADHN CCc1cnc(CN[C@H]2CCC[C@H](F)C2)s1 ZINC000584528890 358042096 /nfs/dbraw/zinc/04/20/96/358042096.db2.gz DFBRTTSBEZXKJZ-UWVGGRQHSA-N 0 3 242.363 3.076 20 0 BGADHN CCc1cnc(CN[C@@H]2CCC[C@H](F)C2)s1 ZINC000584528891 358041732 /nfs/dbraw/zinc/04/17/32/358041732.db2.gz DFBRTTSBEZXKJZ-VHSXEESVSA-N 0 3 242.363 3.076 20 0 BGADHN CCc1cnc(CN[C@H]2CCC[C@@H](F)C2)s1 ZINC000584528892 358042128 /nfs/dbraw/zinc/04/21/28/358042128.db2.gz DFBRTTSBEZXKJZ-ZJUUUORDSA-N 0 3 242.363 3.076 20 0 BGADHN CC(C)C[C@@H](C)CN1CCC(=O)CC12CCC2 ZINC000584538307 358049210 /nfs/dbraw/zinc/04/92/10/358049210.db2.gz LXMKEUSBQMHGHU-CYBMUJFWSA-N 0 3 237.387 3.256 20 0 BGADHN CC(C)C[C@H](C)CN1CCC(=O)CC12CCC2 ZINC000584538308 358049104 /nfs/dbraw/zinc/04/91/04/358049104.db2.gz LXMKEUSBQMHGHU-ZDUSSCGKSA-N 0 3 237.387 3.256 20 0 BGADHN Cc1nc(CNC2(C)CCC(C)CC2)[nH]c1C ZINC000584541161 358050012 /nfs/dbraw/zinc/05/00/12/358050012.db2.gz XRQGFPCNLWUYJH-UHFFFAOYSA-N 0 3 235.375 3.085 20 0 BGADHN CCC[C@@H](N[C@@H]1CCC[C@@H]1F)c1cccnc1 ZINC000584544868 358046293 /nfs/dbraw/zinc/04/62/93/358046293.db2.gz WVAISEHBEVZWJU-BFHYXJOUSA-N 0 3 236.334 3.403 20 0 BGADHN Cc1nsc(C)c1CN(C)[C@H](C)C1(C)CC1 ZINC000584568161 358078396 /nfs/dbraw/zinc/07/83/96/358078396.db2.gz CUCPOUCHTLPDFN-LLVKDONJSA-N 0 3 238.400 3.380 20 0 BGADHN Cc1nsc(C)c1CN(C)[C@@H](C)C1(C)CC1 ZINC000584568162 358077944 /nfs/dbraw/zinc/07/79/44/358077944.db2.gz CUCPOUCHTLPDFN-NSHDSACASA-N 0 3 238.400 3.380 20 0 BGADHN CCC1CN([C@@H](C)Cc2ccsc2)C1 ZINC000584572299 358085863 /nfs/dbraw/zinc/08/58/63/358085863.db2.gz FXEWMCASUCIYFV-JTQLQIEISA-N 0 3 209.358 3.021 20 0 BGADHN CCC1CN([C@H](C)Cc2ccsc2)C1 ZINC000584572300 358085714 /nfs/dbraw/zinc/08/57/14/358085714.db2.gz FXEWMCASUCIYFV-SNVBAGLBSA-N 0 3 209.358 3.021 20 0 BGADHN COc1ccccc1CN[C@@H]1CCC[C@@H](F)C1 ZINC000584589964 358103837 /nfs/dbraw/zinc/10/38/37/358103837.db2.gz DCYPXUPGUTWIKO-CHWSQXEVSA-N 0 3 237.318 3.066 20 0 BGADHN COc1ccccc1CN[C@H]1CCC[C@@H](F)C1 ZINC000584589965 358103844 /nfs/dbraw/zinc/10/38/44/358103844.db2.gz DCYPXUPGUTWIKO-OLZOCXBDSA-N 0 3 237.318 3.066 20 0 BGADHN COc1ccccc1CN[C@@H]1CCC[C@H](F)C1 ZINC000584589966 358103675 /nfs/dbraw/zinc/10/36/75/358103675.db2.gz DCYPXUPGUTWIKO-QWHCGFSZSA-N 0 3 237.318 3.066 20 0 BGADHN COc1ccccc1CN[C@H]1CCC[C@H](F)C1 ZINC000584589967 358103861 /nfs/dbraw/zinc/10/38/61/358103861.db2.gz DCYPXUPGUTWIKO-STQMWFEESA-N 0 3 237.318 3.066 20 0 BGADHN Cc1nc(CNC[C@@H]2CCCC(C)(C)C2)[nH]c1C ZINC000584665995 358120121 /nfs/dbraw/zinc/12/01/21/358120121.db2.gz GPBJNUPJDGLHRY-CYBMUJFWSA-N 0 3 249.402 3.333 20 0 BGADHN Cc1nc(CNC[C@H]2CCCC(C)(C)C2)[nH]c1C ZINC000584665996 358120149 /nfs/dbraw/zinc/12/01/49/358120149.db2.gz GPBJNUPJDGLHRY-ZDUSSCGKSA-N 0 3 249.402 3.333 20 0 BGADHN Cc1nc(C(C)C)ccc1CN1[C@@H](C)C[C@@H]1C ZINC000584667911 358137912 /nfs/dbraw/zinc/13/79/12/358137912.db2.gz AYACYJPAENNMEN-RYUDHWBXSA-N 0 3 232.371 3.496 20 0 BGADHN Cc1nc(C(C)C)ccc1CN1[C@H](C)C[C@@H]1C ZINC000584667912 358138307 /nfs/dbraw/zinc/13/83/07/358138307.db2.gz AYACYJPAENNMEN-TXEJJXNPSA-N 0 3 232.371 3.496 20 0 BGADHN Cc1nc(C(C)C)ccc1CN1[C@H](C)C[C@H]1C ZINC000584667913 358137877 /nfs/dbraw/zinc/13/78/77/358137877.db2.gz AYACYJPAENNMEN-VXGBXAGGSA-N 0 3 232.371 3.496 20 0 BGADHN CC(C)CC1(C)CCN(Cc2ccno2)CC1 ZINC000584684128 358150511 /nfs/dbraw/zinc/15/05/11/358150511.db2.gz UTVKQUBTBFUZIX-UHFFFAOYSA-N 0 3 236.359 3.323 20 0 BGADHN CCC[C@H]1CCCC[C@H]1CNCc1ccn(C)n1 ZINC000584700960 358154364 /nfs/dbraw/zinc/15/43/64/358154364.db2.gz TVRVQKFDTIALHA-KBPBESRZSA-N 0 3 249.402 3.116 20 0 BGADHN CCC[C@@H]1CCCC[C@H]1CNCc1ccn(C)n1 ZINC000584700970 358154389 /nfs/dbraw/zinc/15/43/89/358154389.db2.gz TVRVQKFDTIALHA-KGLIPLIRSA-N 0 3 249.402 3.116 20 0 BGADHN CCC[C@H]1CCCC[C@@H]1CNCc1ccn(C)n1 ZINC000584700973 358154622 /nfs/dbraw/zinc/15/46/22/358154622.db2.gz TVRVQKFDTIALHA-UONOGXRCSA-N 0 3 249.402 3.116 20 0 BGADHN CCC[C@@H]1CCCC[C@@H]1CNCc1ccn(C)n1 ZINC000584700974 358154501 /nfs/dbraw/zinc/15/45/01/358154501.db2.gz TVRVQKFDTIALHA-ZIAGYGMSSA-N 0 3 249.402 3.116 20 0 BGADHN Cc1ccc(CCNCc2cccc(C)c2F)o1 ZINC000584701049 358154615 /nfs/dbraw/zinc/15/46/15/358154615.db2.gz ULKSJGFRCRQLBJ-UHFFFAOYSA-N 0 3 247.313 3.368 20 0 BGADHN C[C@H]1C[C@@H](NCc2ccc(C3CCC3)cc2)CO1 ZINC000584720157 358161160 /nfs/dbraw/zinc/16/11/60/358161160.db2.gz VNXNCWWJBWXPGQ-BLLLJJGKSA-N 0 3 245.366 3.221 20 0 BGADHN C[C@H]1C[C@H](NCc2ccc(C3CCC3)cc2)CO1 ZINC000584720158 358161279 /nfs/dbraw/zinc/16/12/79/358161279.db2.gz VNXNCWWJBWXPGQ-LRDDRELGSA-N 0 3 245.366 3.221 20 0 BGADHN C[C@@H]1C[C@@H](NCc2ccc(C3CCC3)cc2)CO1 ZINC000584720159 358161150 /nfs/dbraw/zinc/16/11/50/358161150.db2.gz VNXNCWWJBWXPGQ-MLGOLLRUSA-N 0 3 245.366 3.221 20 0 BGADHN C[C@@H]1C[C@H](NCc2ccc(C3CCC3)cc2)CO1 ZINC000584720160 358161364 /nfs/dbraw/zinc/16/13/64/358161364.db2.gz VNXNCWWJBWXPGQ-WBMJQRKESA-N 0 3 245.366 3.221 20 0 BGADHN CC1=C(C)CN(Cc2ccc3c(n2)CCC3)CC1 ZINC000584765870 358170784 /nfs/dbraw/zinc/17/07/84/358170784.db2.gz WURSRHXDGVMHTE-UHFFFAOYSA-N 0 3 242.366 3.112 20 0 BGADHN Cc1nsc(C)c1CN(C)C1CC(C)(C)C1 ZINC000584787339 358178262 /nfs/dbraw/zinc/17/82/62/358178262.db2.gz CUSNNXPLRVLJDE-UHFFFAOYSA-N 0 3 238.400 3.380 20 0 BGADHN Cc1nsc(C)c1CN1CCCC12CCC2 ZINC000584788741 358179391 /nfs/dbraw/zinc/17/93/91/358179391.db2.gz PTJJXVTZFYAHRO-UHFFFAOYSA-N 0 3 236.384 3.278 20 0 BGADHN CCC1(NCc2nc(C)c(C)[nH]2)CCCCC1 ZINC000584849390 358209410 /nfs/dbraw/zinc/20/94/10/358209410.db2.gz IWFKPKAPJMENCW-UHFFFAOYSA-N 0 3 235.375 3.229 20 0 BGADHN F[C@H]1CCC[C@H]1NCc1ccc2[nH]ccc2c1 ZINC000585386275 487584544 /nfs/dbraw/zinc/58/45/44/487584544.db2.gz XKLDYDXQFCGCHB-GXTWGEPZSA-N 0 3 232.302 3.148 20 0 BGADHN CCN(CCc1ccccc1)Cc1ccoc1 ZINC000588169189 346644789 /nfs/dbraw/zinc/64/47/89/346644789.db2.gz FBRIVDPRANKIRZ-UHFFFAOYSA-N 0 3 229.323 3.344 20 0 BGADHN CC/C=C\CCN(C)[C@@H]1CCCc2c1cnn2C ZINC000588476233 538853079 /nfs/dbraw/zinc/85/30/79/538853079.db2.gz FDRUMIYDABZCLP-GEXIGZQTSA-N 0 3 247.386 3.086 20 0 BGADHN CC/C=C\CCN(C)[C@H]1CCCc2c1cnn2C ZINC000588476234 538852859 /nfs/dbraw/zinc/85/28/59/538852859.db2.gz FDRUMIYDABZCLP-GXMNPTEKSA-N 0 3 247.386 3.086 20 0 BGADHN CN(Cc1cccc(F)c1F)CC(C)(C)C ZINC000588901297 344198113 /nfs/dbraw/zinc/19/81/13/344198113.db2.gz GDNGLZNWTGQOBG-UHFFFAOYSA-N 0 3 227.298 3.443 20 0 BGADHN CN(Cc1ccc(F)c(F)c1)CC(C)(C)C ZINC000588901956 344198722 /nfs/dbraw/zinc/19/87/22/344198722.db2.gz AXCYXEMJXBZBFY-UHFFFAOYSA-N 0 3 227.298 3.443 20 0 BGADHN COc1ccc(CN(C)CC(C)(C)C)cc1F ZINC000588902680 344198963 /nfs/dbraw/zinc/19/89/63/344198963.db2.gz UGPRFOBIBIJJCO-UHFFFAOYSA-N 0 3 239.334 3.312 20 0 BGADHN CCN(Cc1ccc(C)cc1)Cc1cccnc1 ZINC000588937960 398337451 /nfs/dbraw/zinc/33/74/51/398337451.db2.gz OVDGTCZUFHMUME-UHFFFAOYSA-N 0 3 240.350 3.412 20 0 BGADHN Cc1cccn2cc(CN(C)CC(C)(C)C)nc12 ZINC000588939470 344960470 /nfs/dbraw/zinc/96/04/70/344960470.db2.gz VMCDEHLSVGWOPI-UHFFFAOYSA-N 0 3 245.370 3.121 20 0 BGADHN CCCCCNCc1nc2ccccc2nc1C ZINC000589031886 346374316 /nfs/dbraw/zinc/37/43/16/346374316.db2.gz KIYSJCOEZSHRAB-UHFFFAOYSA-N 0 3 243.354 3.218 20 0 BGADHN Cc1nc2ccccc2nc1CNCCC(C)C ZINC000589034157 346387373 /nfs/dbraw/zinc/38/73/73/346387373.db2.gz KRJRTKPREZHTDD-UHFFFAOYSA-N 0 3 243.354 3.074 20 0 BGADHN CCC[C@@H](C)NCc1nc2ccccc2nc1C ZINC000589110722 487633545 /nfs/dbraw/zinc/63/35/45/487633545.db2.gz QCDZSRKUIDFLMT-LLVKDONJSA-N 0 3 243.354 3.216 20 0 BGADHN CCC[C@H](C)NCc1nc2ccccc2nc1C ZINC000589110725 487633538 /nfs/dbraw/zinc/63/35/38/487633538.db2.gz QCDZSRKUIDFLMT-NSHDSACASA-N 0 3 243.354 3.216 20 0 BGADHN CCC(C)(C)NCc1nc2ccccc2nc1C ZINC000589115431 346667472 /nfs/dbraw/zinc/66/74/72/346667472.db2.gz ZHCASLNDNUOYCP-UHFFFAOYSA-N 0 3 243.354 3.216 20 0 BGADHN CSC1(CN(C)Cc2ccsc2)CC1 ZINC000589158129 346670168 /nfs/dbraw/zinc/67/01/68/346670168.db2.gz GARFDXHYVAAVJG-UHFFFAOYSA-N 0 3 227.398 3.076 20 0 BGADHN CCN(CCC(F)(F)F)CC1(SC)CC1 ZINC000589162472 346670500 /nfs/dbraw/zinc/67/05/00/346670500.db2.gz YIFYABJPCQZFEN-UHFFFAOYSA-N 0 3 241.322 3.156 20 0 BGADHN CSC1(CN2C3CCCC2CCC3)CC1 ZINC000589166737 346671202 /nfs/dbraw/zinc/67/12/02/346671202.db2.gz YCZTXDQSCUJEDO-UHFFFAOYSA-N 0 3 225.401 3.289 20 0 BGADHN CSCCN[C@H](C)c1nccc2ccccc21 ZINC000589337175 346692533 /nfs/dbraw/zinc/69/25/33/346692533.db2.gz PJZOAIVQXDJLHK-LLVKDONJSA-N 0 3 246.379 3.248 20 0 BGADHN CSCCN[C@@H](C)c1nccc2ccccc21 ZINC000589337176 346692111 /nfs/dbraw/zinc/69/21/11/346692111.db2.gz PJZOAIVQXDJLHK-NSHDSACASA-N 0 3 246.379 3.248 20 0 BGADHN CSC1(CN(C)Cc2ccsc2)CCC1 ZINC000589495379 346709240 /nfs/dbraw/zinc/70/92/40/346709240.db2.gz TUJDSSRSKDAAMZ-UHFFFAOYSA-N 0 3 241.425 3.466 20 0 BGADHN CCN(Cc1ccoc1)CC1(SC)CCC1 ZINC000589497028 346709288 /nfs/dbraw/zinc/70/92/88/346709288.db2.gz GWSAHBKVXMSBTK-UHFFFAOYSA-N 0 3 239.384 3.387 20 0 BGADHN Cc1cc(CN[C@@H](C)c2cccc(Cl)c2)n[nH]1 ZINC000589634176 346720369 /nfs/dbraw/zinc/72/03/69/346720369.db2.gz NVNWWHXZMWUKNN-JTQLQIEISA-N 0 3 249.745 3.222 20 0 BGADHN Cc1cc(CN[C@H](C)c2cccc(Cl)c2)n[nH]1 ZINC000589634177 346720202 /nfs/dbraw/zinc/72/02/02/346720202.db2.gz NVNWWHXZMWUKNN-SNVBAGLBSA-N 0 3 249.745 3.222 20 0 BGADHN CCC[C@H](NCc1cc(C)n[nH]1)c1ccccc1 ZINC000589634939 346720029 /nfs/dbraw/zinc/72/00/29/346720029.db2.gz AURIJOVMOUMGED-HNNXBMFYSA-N 0 3 243.354 3.349 20 0 BGADHN CCC[C@H](NCc1cc(C)[nH]n1)c1ccccc1 ZINC000589634939 346720028 /nfs/dbraw/zinc/72/00/28/346720028.db2.gz AURIJOVMOUMGED-HNNXBMFYSA-N 0 3 243.354 3.349 20 0 BGADHN CCC[C@@H](NCc1cc(C)n[nH]1)c1ccccc1 ZINC000589634940 346720362 /nfs/dbraw/zinc/72/03/62/346720362.db2.gz AURIJOVMOUMGED-OAHLLOKOSA-N 0 3 243.354 3.349 20 0 BGADHN CCC[C@@H](NCc1cc(C)[nH]n1)c1ccccc1 ZINC000589634940 346720361 /nfs/dbraw/zinc/72/03/61/346720361.db2.gz AURIJOVMOUMGED-OAHLLOKOSA-N 0 3 243.354 3.349 20 0 BGADHN CC[C@H](NCc1cc(C)n[nH]1)c1ccc(C)cc1 ZINC000589635541 346720407 /nfs/dbraw/zinc/72/04/07/346720407.db2.gz ZFLUKZUPOYPDAP-HNNXBMFYSA-N 0 3 243.354 3.267 20 0 BGADHN CC[C@H](NCc1cc(C)[nH]n1)c1ccc(C)cc1 ZINC000589635541 346720405 /nfs/dbraw/zinc/72/04/05/346720405.db2.gz ZFLUKZUPOYPDAP-HNNXBMFYSA-N 0 3 243.354 3.267 20 0 BGADHN CC[C@@H](NCc1cc(C)n[nH]1)c1ccc(C)cc1 ZINC000589635542 346720130 /nfs/dbraw/zinc/72/01/30/346720130.db2.gz ZFLUKZUPOYPDAP-OAHLLOKOSA-N 0 3 243.354 3.267 20 0 BGADHN CC[C@@H](NCc1cc(C)[nH]n1)c1ccc(C)cc1 ZINC000589635542 346720128 /nfs/dbraw/zinc/72/01/28/346720128.db2.gz ZFLUKZUPOYPDAP-OAHLLOKOSA-N 0 3 243.354 3.267 20 0 BGADHN Cc1cc(CN[C@H](C)c2cc(C)ccc2C)n[nH]1 ZINC000589636449 346721244 /nfs/dbraw/zinc/72/12/44/346721244.db2.gz PZYDBOHLCDTFDZ-CYBMUJFWSA-N 0 3 243.354 3.186 20 0 BGADHN Cc1cc(CN[C@H](C)c2cc(C)ccc2C)[nH]n1 ZINC000589636449 346721241 /nfs/dbraw/zinc/72/12/41/346721241.db2.gz PZYDBOHLCDTFDZ-CYBMUJFWSA-N 0 3 243.354 3.186 20 0 BGADHN Cc1cc(CN[C@@H](C)c2cc(C)ccc2C)n[nH]1 ZINC000589636451 346720942 /nfs/dbraw/zinc/72/09/42/346720942.db2.gz PZYDBOHLCDTFDZ-ZDUSSCGKSA-N 0 3 243.354 3.186 20 0 BGADHN Cc1cc(CN[C@@H](C)c2cc(C)ccc2C)[nH]n1 ZINC000589636451 346720939 /nfs/dbraw/zinc/72/09/39/346720939.db2.gz PZYDBOHLCDTFDZ-ZDUSSCGKSA-N 0 3 243.354 3.186 20 0 BGADHN Cc1cc(CN[C@@H](C)c2ccc(Cl)cc2)n[nH]1 ZINC000589636490 346720962 /nfs/dbraw/zinc/72/09/62/346720962.db2.gz RJZVJPKJCIHDOT-JTQLQIEISA-N 0 3 249.745 3.222 20 0 BGADHN Cc1cc(CN[C@H](C)c2ccc(Cl)cc2)n[nH]1 ZINC000589636492 346721084 /nfs/dbraw/zinc/72/10/84/346721084.db2.gz RJZVJPKJCIHDOT-SNVBAGLBSA-N 0 3 249.745 3.222 20 0 BGADHN CCc1ccc([C@@H](C)NCc2cc(C)[nH]n2)cc1 ZINC000589636515 346720893 /nfs/dbraw/zinc/72/08/93/346720893.db2.gz TXECYWXWYPLCLC-GFCCVEGCSA-N 0 3 243.354 3.131 20 0 BGADHN CCc1ccc([C@H](C)NCc2cc(C)[nH]n2)cc1 ZINC000589636516 346721421 /nfs/dbraw/zinc/72/14/21/346721421.db2.gz TXECYWXWYPLCLC-LBPRGKRZSA-N 0 3 243.354 3.131 20 0 BGADHN Cc1cc(CN[C@H](c2ccccc2)C(C)C)[nH]n1 ZINC000589637798 346721166 /nfs/dbraw/zinc/72/11/66/346721166.db2.gz BGLKUSWVBCIGLP-HNNXBMFYSA-N 0 3 243.354 3.205 20 0 BGADHN Cc1cc(CN[C@H](c2ccccc2)C(C)C)n[nH]1 ZINC000589637798 346721163 /nfs/dbraw/zinc/72/11/63/346721163.db2.gz BGLKUSWVBCIGLP-HNNXBMFYSA-N 0 3 243.354 3.205 20 0 BGADHN Cc1cc(CN[C@@H](c2ccccc2)C(C)C)[nH]n1 ZINC000589637800 346720852 /nfs/dbraw/zinc/72/08/52/346720852.db2.gz BGLKUSWVBCIGLP-OAHLLOKOSA-N 0 3 243.354 3.205 20 0 BGADHN Cc1cc(CN[C@@H](c2ccccc2)C(C)C)n[nH]1 ZINC000589637800 346720849 /nfs/dbraw/zinc/72/08/49/346720849.db2.gz BGLKUSWVBCIGLP-OAHLLOKOSA-N 0 3 243.354 3.205 20 0 BGADHN Cc1cc(CN[C@@H](C)c2cc(C)sc2C)n[nH]1 ZINC000589638810 346721379 /nfs/dbraw/zinc/72/13/79/346721379.db2.gz FMPCKFVQTUNGDQ-JTQLQIEISA-N 0 3 249.383 3.247 20 0 BGADHN Cc1cc(CN[C@H](C)c2cc(C)sc2C)n[nH]1 ZINC000589638811 346720765 /nfs/dbraw/zinc/72/07/65/346720765.db2.gz FMPCKFVQTUNGDQ-SNVBAGLBSA-N 0 3 249.383 3.247 20 0 BGADHN Cc1cc(CNCCCC2CCCCC2)[nH]n1 ZINC000589641420 346721865 /nfs/dbraw/zinc/72/18/65/346721865.db2.gz OSNUWEIHNRUZFM-UHFFFAOYSA-N 0 3 235.375 3.168 20 0 BGADHN Cc1cc(CN[C@H](C)c2ccc(C)cc2C)n[nH]1 ZINC000589642984 346722208 /nfs/dbraw/zinc/72/22/08/346722208.db2.gz TXKBCUKSPIXTHH-CYBMUJFWSA-N 0 3 243.354 3.186 20 0 BGADHN Cc1cc(CN[C@H](C)c2ccc(C)cc2C)[nH]n1 ZINC000589642984 346722205 /nfs/dbraw/zinc/72/22/05/346722205.db2.gz TXKBCUKSPIXTHH-CYBMUJFWSA-N 0 3 243.354 3.186 20 0 BGADHN Cc1cc(CN[C@@H](C)c2ccc(C)cc2C)n[nH]1 ZINC000589642986 346722176 /nfs/dbraw/zinc/72/21/76/346722176.db2.gz TXKBCUKSPIXTHH-ZDUSSCGKSA-N 0 3 243.354 3.186 20 0 BGADHN Cc1cc(CN[C@@H](C)c2ccc(C)cc2C)[nH]n1 ZINC000589642986 346722173 /nfs/dbraw/zinc/72/21/73/346722173.db2.gz TXKBCUKSPIXTHH-ZDUSSCGKSA-N 0 3 243.354 3.186 20 0 BGADHN Cc1occc1CNCc1cccc2[nH]ccc21 ZINC000589645986 346725437 /nfs/dbraw/zinc/72/54/37/346725437.db2.gz CSTLOMSQCXNBPW-UHFFFAOYSA-N 0 3 240.306 3.359 20 0 BGADHN Cc1cc(CN[C@H](C)c2ccc(C)c(C)c2)n[nH]1 ZINC000589647146 346723131 /nfs/dbraw/zinc/72/31/31/346723131.db2.gz INZSPBCYUGKXGK-CYBMUJFWSA-N 0 3 243.354 3.186 20 0 BGADHN Cc1cc(CN[C@H](C)c2ccc(C)c(C)c2)[nH]n1 ZINC000589647146 346723128 /nfs/dbraw/zinc/72/31/28/346723128.db2.gz INZSPBCYUGKXGK-CYBMUJFWSA-N 0 3 243.354 3.186 20 0 BGADHN Cc1cc(CN[C@@H](C)c2ccc(C)c(C)c2)n[nH]1 ZINC000589647147 346722731 /nfs/dbraw/zinc/72/27/31/346722731.db2.gz INZSPBCYUGKXGK-ZDUSSCGKSA-N 0 3 243.354 3.186 20 0 BGADHN Cc1cc(CN[C@@H](C)c2ccc(C)c(C)c2)[nH]n1 ZINC000589647147 346722725 /nfs/dbraw/zinc/72/27/25/346722725.db2.gz INZSPBCYUGKXGK-ZDUSSCGKSA-N 0 3 243.354 3.186 20 0 BGADHN CC[C@H](NCc1cc(C)[nH]n1)c1ccc(F)cc1 ZINC000589647259 346723085 /nfs/dbraw/zinc/72/30/85/346723085.db2.gz PLQRZZDXZWUHAH-AWEZNQCLSA-N 0 3 247.317 3.098 20 0 BGADHN CC[C@@H](NCc1cc(C)[nH]n1)c1ccc(F)cc1 ZINC000589647260 346722992 /nfs/dbraw/zinc/72/29/92/346722992.db2.gz PLQRZZDXZWUHAH-CQSZACIVSA-N 0 3 247.317 3.098 20 0 BGADHN CC(C)(NCc1cn[nH]c1)c1ccc(Cl)cc1 ZINC000589651418 346723405 /nfs/dbraw/zinc/72/34/05/346723405.db2.gz VZRIUWAKJSFQKS-UHFFFAOYSA-N 0 3 249.745 3.088 20 0 BGADHN c1ccc(CSCCN2CC(C3CC3)C2)cc1 ZINC000589736858 346734449 /nfs/dbraw/zinc/73/44/49/346734449.db2.gz SYBLMHKGFWKIEJ-UHFFFAOYSA-N 0 3 247.407 3.262 20 0 BGADHN CC[C@H]1CCCN1Cc1cn2cccc(C)c2n1 ZINC000590125478 346777441 /nfs/dbraw/zinc/77/74/41/346777441.db2.gz HMBDRRSOGAZXCZ-AWEZNQCLSA-N 0 3 243.354 3.017 20 0 BGADHN CC[C@@H]1CCCN1Cc1cn2cccc(C)c2n1 ZINC000590125480 346777244 /nfs/dbraw/zinc/77/72/44/346777244.db2.gz HMBDRRSOGAZXCZ-CQSZACIVSA-N 0 3 243.354 3.017 20 0 BGADHN CCCCN1CCOc2ccccc2[C@H]1C ZINC000590294641 346939202 /nfs/dbraw/zinc/93/92/02/346939202.db2.gz IHUFBIJWRWZKRU-GFCCVEGCSA-N 0 3 219.328 3.242 20 0 BGADHN CCCCN1CCOc2ccccc2[C@@H]1C ZINC000590294645 346938869 /nfs/dbraw/zinc/93/88/69/346938869.db2.gz IHUFBIJWRWZKRU-LBPRGKRZSA-N 0 3 219.328 3.242 20 0 BGADHN CCCC(C)(C)NCc1nc2ccccc2o1 ZINC000590322510 346984726 /nfs/dbraw/zinc/98/47/26/346984726.db2.gz CJFHWUWQAPZIMF-UHFFFAOYSA-N 0 3 232.327 3.496 20 0 BGADHN Cc1ccc(OCCN(C)[C@H]2C=CCCC2)cc1 ZINC000590400291 347087454 /nfs/dbraw/zinc/08/74/54/347087454.db2.gz ADTNOLFCSCCEQK-HNNXBMFYSA-N 0 3 245.366 3.414 20 0 BGADHN Cc1ccc(OCCN(C)[C@@H]2C=CCCC2)cc1 ZINC000590400295 347087045 /nfs/dbraw/zinc/08/70/45/347087045.db2.gz ADTNOLFCSCCEQK-OAHLLOKOSA-N 0 3 245.366 3.414 20 0 BGADHN CN(Cc1ccsc1)[C@@H]1C=CCCC1 ZINC000590400375 347087252 /nfs/dbraw/zinc/08/72/52/347087252.db2.gz DQGOUADAXDQBAE-GFCCVEGCSA-N 0 3 207.342 3.289 20 0 BGADHN CN(Cc1ccsc1)[C@H]1C=CCCC1 ZINC000590400399 347086945 /nfs/dbraw/zinc/08/69/45/347086945.db2.gz DQGOUADAXDQBAE-LBPRGKRZSA-N 0 3 207.342 3.289 20 0 BGADHN Cc1ccccc1OCCN(C)[C@H]1C=CCCC1 ZINC000590400586 347084407 /nfs/dbraw/zinc/08/44/07/347084407.db2.gz KZUXHFWCZRUMIV-HNNXBMFYSA-N 0 3 245.366 3.414 20 0 BGADHN Cc1ccccc1OCCN(C)[C@@H]1C=CCCC1 ZINC000590400588 347084960 /nfs/dbraw/zinc/08/49/60/347084960.db2.gz KZUXHFWCZRUMIV-OAHLLOKOSA-N 0 3 245.366 3.414 20 0 BGADHN CS[C@@H]1CCN(Cc2cc3ccccc3[nH]2)C1 ZINC000590656469 347486261 /nfs/dbraw/zinc/48/62/61/347486261.db2.gz DVXRYDKEEDTDSS-CYBMUJFWSA-N 0 3 246.379 3.105 20 0 BGADHN CS[C@H]1CCN(Cc2cc3ccccc3[nH]2)C1 ZINC000590656470 347486552 /nfs/dbraw/zinc/48/65/52/347486552.db2.gz DVXRYDKEEDTDSS-ZDUSSCGKSA-N 0 3 246.379 3.105 20 0 BGADHN Fc1ccc(F)c(CN2CCC[C@H]2C2CC2)c1 ZINC000590787980 347557927 /nfs/dbraw/zinc/55/79/27/347557927.db2.gz PTJXVZUGOIWWSD-AWEZNQCLSA-N 0 3 237.293 3.339 20 0 BGADHN Fc1ccc(F)c(CN2CCC[C@@H]2C2CC2)c1 ZINC000590787981 347558202 /nfs/dbraw/zinc/55/82/02/347558202.db2.gz PTJXVZUGOIWWSD-CQSZACIVSA-N 0 3 237.293 3.339 20 0 BGADHN Fc1ccc(CN2CCC[C@H]2C2CC2)cc1F ZINC000590788499 347557982 /nfs/dbraw/zinc/55/79/82/347557982.db2.gz FLHDDZDQOKCPEP-AWEZNQCLSA-N 0 3 237.293 3.339 20 0 BGADHN Fc1ccc(CN2CCC[C@@H]2C2CC2)cc1F ZINC000590788500 347558121 /nfs/dbraw/zinc/55/81/21/347558121.db2.gz FLHDDZDQOKCPEP-CQSZACIVSA-N 0 3 237.293 3.339 20 0 BGADHN COc1ccc(F)cc1CN1CCC[C@H]1C1CC1 ZINC000590788990 347558865 /nfs/dbraw/zinc/55/88/65/347558865.db2.gz OIJVOKNBTSOJPO-AWEZNQCLSA-N 0 3 249.329 3.209 20 0 BGADHN COc1ccc(F)cc1CN1CCC[C@@H]1C1CC1 ZINC000590788991 347558951 /nfs/dbraw/zinc/55/89/51/347558951.db2.gz OIJVOKNBTSOJPO-CQSZACIVSA-N 0 3 249.329 3.209 20 0 BGADHN COc1ccc2c(c1)CCCN(CC=C(C)C)C2 ZINC000590789320 347558743 /nfs/dbraw/zinc/55/87/43/347558743.db2.gz TVXDSJRTWIWEDK-UHFFFAOYSA-N 0 3 245.366 3.410 20 0 BGADHN Fc1cccc(CN2CCC[C@@H]2C2CC2)c1F ZINC000590789596 347558797 /nfs/dbraw/zinc/55/87/97/347558797.db2.gz WWPFYSRLCKTSNO-CYBMUJFWSA-N 0 3 237.293 3.339 20 0 BGADHN Fc1cccc(CN2CCC[C@H]2C2CC2)c1F ZINC000590789597 347559073 /nfs/dbraw/zinc/55/90/73/347559073.db2.gz WWPFYSRLCKTSNO-ZDUSSCGKSA-N 0 3 237.293 3.339 20 0 BGADHN CCN(CCCOC(C)C)CCC(F)(F)F ZINC000590818736 347568737 /nfs/dbraw/zinc/56/87/37/347568737.db2.gz MTRFQBHKEARGBO-UHFFFAOYSA-N 0 3 241.297 3.076 20 0 BGADHN CCN(CCCCCOC)CCC(F)(F)F ZINC000590818783 347569175 /nfs/dbraw/zinc/56/91/75/347569175.db2.gz XWYBZAWQLNSVGI-UHFFFAOYSA-N 0 3 241.297 3.077 20 0 BGADHN Cc1cc(CNCc2cccnc2C)ccc1F ZINC000590880814 347577329 /nfs/dbraw/zinc/57/73/29/347577329.db2.gz KVERSHDPSBATKN-UHFFFAOYSA-N 0 3 244.313 3.127 20 0 BGADHN CC(C)CN1CCOc2ccccc2[C@H]1C ZINC000590936959 347592676 /nfs/dbraw/zinc/59/26/76/347592676.db2.gz AYWJJVGHQFCNJK-GFCCVEGCSA-N 0 3 219.328 3.098 20 0 BGADHN CC(C)CN1CCOc2ccccc2[C@@H]1C ZINC000590936960 347592737 /nfs/dbraw/zinc/59/27/37/347592737.db2.gz AYWJJVGHQFCNJK-LBPRGKRZSA-N 0 3 219.328 3.098 20 0 BGADHN CC(C)CCN1CCOc2ccccc2[C@H]1C ZINC000590937282 347592662 /nfs/dbraw/zinc/59/26/62/347592662.db2.gz MJPZBRBHDXLLLO-CYBMUJFWSA-N 0 3 233.355 3.488 20 0 BGADHN CC(C)CCN1CCOc2ccccc2[C@@H]1C ZINC000590937283 347592530 /nfs/dbraw/zinc/59/25/30/347592530.db2.gz MJPZBRBHDXLLLO-ZDUSSCGKSA-N 0 3 233.355 3.488 20 0 BGADHN CCCN(Cc1cn2cccc(C)c2n1)C1CC1 ZINC000590943315 347591612 /nfs/dbraw/zinc/59/16/12/347591612.db2.gz VQDZMRPWYBAMLN-UHFFFAOYSA-N 0 3 243.354 3.017 20 0 BGADHN c1n[nH]cc1CN[C@@H](c1ccccc1)C1CCC1 ZINC000591699493 347690371 /nfs/dbraw/zinc/69/03/71/347690371.db2.gz VSPPIPXJABOXOH-HNNXBMFYSA-N 0 3 241.338 3.041 20 0 BGADHN c1n[nH]cc1CN[C@H](c1ccccc1)C1CCC1 ZINC000591699495 347690057 /nfs/dbraw/zinc/69/00/57/347690057.db2.gz VSPPIPXJABOXOH-OAHLLOKOSA-N 0 3 241.338 3.041 20 0 BGADHN Cc1cc(CN[C@H]2C[C@@H](C)c3ccccc32)n[nH]1 ZINC000591719691 347688575 /nfs/dbraw/zinc/68/85/75/347688575.db2.gz GKTNSYUXMUMGIY-BMIGLBTASA-N 0 3 241.338 3.056 20 0 BGADHN Cc1cc(CN[C@H]2C[C@@H](C)c3ccccc32)[nH]n1 ZINC000591719691 347688573 /nfs/dbraw/zinc/68/85/73/347688573.db2.gz GKTNSYUXMUMGIY-BMIGLBTASA-N 0 3 241.338 3.056 20 0 BGADHN Cc1cc(CN[C@H]2C[C@H](C)c3ccccc32)n[nH]1 ZINC000591719693 347688375 /nfs/dbraw/zinc/68/83/75/347688375.db2.gz GKTNSYUXMUMGIY-BONVTDFDSA-N 0 3 241.338 3.056 20 0 BGADHN Cc1cc(CN[C@H]2C[C@H](C)c3ccccc32)[nH]n1 ZINC000591719693 347688373 /nfs/dbraw/zinc/68/83/73/347688373.db2.gz GKTNSYUXMUMGIY-BONVTDFDSA-N 0 3 241.338 3.056 20 0 BGADHN Cc1cc(CN[C@@H]2C[C@@H](C)c3ccccc32)n[nH]1 ZINC000591719694 347688437 /nfs/dbraw/zinc/68/84/37/347688437.db2.gz GKTNSYUXMUMGIY-MEBBXXQBSA-N 0 3 241.338 3.056 20 0 BGADHN Cc1cc(CN[C@@H]2C[C@@H](C)c3ccccc32)[nH]n1 ZINC000591719694 347688436 /nfs/dbraw/zinc/68/84/36/347688436.db2.gz GKTNSYUXMUMGIY-MEBBXXQBSA-N 0 3 241.338 3.056 20 0 BGADHN Cc1cc(CN[C@@H]2C[C@H](C)c3ccccc32)n[nH]1 ZINC000591719695 347688565 /nfs/dbraw/zinc/68/85/65/347688565.db2.gz GKTNSYUXMUMGIY-ZUZCIYMTSA-N 0 3 241.338 3.056 20 0 BGADHN Cc1cc(CN[C@@H]2C[C@H](C)c3ccccc32)[nH]n1 ZINC000591719695 347688562 /nfs/dbraw/zinc/68/85/62/347688562.db2.gz GKTNSYUXMUMGIY-ZUZCIYMTSA-N 0 3 241.338 3.056 20 0 BGADHN CC(C)=CCN1CCCO[C@H](c2ccccc2)C1 ZINC000591813561 347700818 /nfs/dbraw/zinc/70/08/18/347700818.db2.gz JDPKOEZOFZSBGU-INIZCTEOSA-N 0 3 245.366 3.416 20 0 BGADHN CC(C)=CCN1CCCO[C@@H](c2ccccc2)C1 ZINC000591813563 347700738 /nfs/dbraw/zinc/70/07/38/347700738.db2.gz JDPKOEZOFZSBGU-MRXNPFEDSA-N 0 3 245.366 3.416 20 0 BGADHN CCN(CCSC)c1ccnc2ccccc21 ZINC000592000531 347722434 /nfs/dbraw/zinc/72/24/34/347722434.db2.gz NXCYGHWKFUBMQJ-UHFFFAOYSA-N 0 3 246.379 3.424 20 0 BGADHN CSCCNC1(c2ccccc2Cl)CC1 ZINC000592138349 397945813 /nfs/dbraw/zinc/94/58/13/397945813.db2.gz XXMQCNXJQKRTOU-UHFFFAOYSA-N 0 3 241.787 3.282 20 0 BGADHN CCSCCNC1(c2ccccc2C)CC1 ZINC000592140074 397945780 /nfs/dbraw/zinc/94/57/80/397945780.db2.gz YEDPWOKNWOGFGT-UHFFFAOYSA-N 0 3 235.396 3.327 20 0 BGADHN CSCCNC1(c2cccc(F)c2)CCC1 ZINC000592144366 397945893 /nfs/dbraw/zinc/94/58/93/397945893.db2.gz HQSNDNWZOUKTRP-UHFFFAOYSA-N 0 3 239.359 3.158 20 0 BGADHN CSCCNC1(c2ccccc2F)CCC1 ZINC000592144436 397945770 /nfs/dbraw/zinc/94/57/70/397945770.db2.gz IBQZHIMSPVJBOH-UHFFFAOYSA-N 0 3 239.359 3.158 20 0 BGADHN CCN(C/C=C/c1ccccc1)CCSC ZINC000592199610 347752275 /nfs/dbraw/zinc/75/22/75/347752275.db2.gz SGKKKHUNALWFCF-JXMROGBWSA-N 0 3 235.396 3.385 20 0 BGADHN CCN(C/C=C\c1ccccc1)CCSC ZINC000592199615 347752025 /nfs/dbraw/zinc/75/20/25/347752025.db2.gz SGKKKHUNALWFCF-YFHOEESVSA-N 0 3 235.396 3.385 20 0 BGADHN CCN(CCSC)Cc1cc(F)ccc1C ZINC000592201111 347753106 /nfs/dbraw/zinc/75/31/06/347753106.db2.gz BIDQZPMIJKMCQK-UHFFFAOYSA-N 0 3 241.375 3.319 20 0 BGADHN CCN(CCSC)Cc1cc(F)cc(F)c1 ZINC000592201242 347753196 /nfs/dbraw/zinc/75/31/96/347753196.db2.gz DMKJXHHLUASKQU-UHFFFAOYSA-N 0 3 245.338 3.150 20 0 BGADHN CCN(CCSC)Cc1ccc(F)cc1C ZINC000592203133 347754636 /nfs/dbraw/zinc/75/46/36/347754636.db2.gz JQUAFMINYSMYBE-UHFFFAOYSA-N 0 3 241.375 3.319 20 0 BGADHN CSC1(CN2CC(C)(CC(F)F)C2)CCC1 ZINC000592523249 397950746 /nfs/dbraw/zinc/95/07/46/397950746.db2.gz KAUZQNVLRWCDCZ-UHFFFAOYSA-N 0 3 249.370 3.249 20 0 BGADHN CCN(CCSC)Cc1ccsc1C ZINC000592528318 347795685 /nfs/dbraw/zinc/79/56/85/347795685.db2.gz IKVUEUSFOJNEIJ-UHFFFAOYSA-N 0 3 229.414 3.241 20 0 BGADHN CCc1ccc(CN(CC)CCSC)o1 ZINC000592528786 347795377 /nfs/dbraw/zinc/79/53/77/347795377.db2.gz GDVQVWDHIPYHBQ-UHFFFAOYSA-N 0 3 227.373 3.027 20 0 BGADHN CCN(CCSC)Cc1ccc(C)s1 ZINC000592529356 347796284 /nfs/dbraw/zinc/79/62/84/347796284.db2.gz LDEIVPIBUFDTHY-UHFFFAOYSA-N 0 3 229.414 3.241 20 0 BGADHN CCN(CCSC)Cc1sccc1C ZINC000592530013 347796465 /nfs/dbraw/zinc/79/64/65/347796465.db2.gz STRPVAMWTQDLDG-UHFFFAOYSA-N 0 3 229.414 3.241 20 0 BGADHN CCN(CCSC)Cc1csc(C)c1 ZINC000592530137 347796224 /nfs/dbraw/zinc/79/62/24/347796224.db2.gz OEYIIGKSCZYDMS-UHFFFAOYSA-N 0 3 229.414 3.241 20 0 BGADHN CCN(CCSC)Cc1cc2ccccc2[nH]1 ZINC000592530174 347796082 /nfs/dbraw/zinc/79/60/82/347796082.db2.gz OOUVFJDMHXTQCR-UHFFFAOYSA-N 0 3 248.395 3.353 20 0 BGADHN CC(C)=CCN1CCCc2sccc2C1 ZINC000592982281 347842067 /nfs/dbraw/zinc/84/20/67/347842067.db2.gz JYVVYPVESPETNL-UHFFFAOYSA-N 0 3 221.369 3.463 20 0 BGADHN CC[C@@H]1CN(CCSC(C)C)[C@H](CC)CO1 ZINC000593057689 347847949 /nfs/dbraw/zinc/84/79/49/347847949.db2.gz HAONDQXDZFVOMV-CHWSQXEVSA-N 0 3 245.432 3.017 20 0 BGADHN CC[C@@H]1CO[C@@H](CC)CN1CCSC(C)C ZINC000593057690 347847854 /nfs/dbraw/zinc/84/78/54/347847854.db2.gz HAONDQXDZFVOMV-OLZOCXBDSA-N 0 3 245.432 3.017 20 0 BGADHN CC[C@@H]1CN(CCSC(C)C)[C@@H](CC)CO1 ZINC000593057691 347847873 /nfs/dbraw/zinc/84/78/73/347847873.db2.gz HAONDQXDZFVOMV-QWHCGFSZSA-N 0 3 245.432 3.017 20 0 BGADHN CC[C@H]1CN(CCSC(C)C)[C@@H](CC)CO1 ZINC000593057693 347847971 /nfs/dbraw/zinc/84/79/71/347847971.db2.gz HAONDQXDZFVOMV-STQMWFEESA-N 0 3 245.432 3.017 20 0 BGADHN CC[C@@H]1COC(C)(C)CN1CCSC(C)C ZINC000593060268 347848971 /nfs/dbraw/zinc/84/89/71/347848971.db2.gz ZOLBNNSLWNSRPO-GFCCVEGCSA-N 0 3 245.432 3.017 20 0 BGADHN CC[C@H]1COC(C)(C)CN1CCSC(C)C ZINC000593060269 347849227 /nfs/dbraw/zinc/84/92/27/347849227.db2.gz ZOLBNNSLWNSRPO-LBPRGKRZSA-N 0 3 245.432 3.017 20 0 BGADHN Cc1cc(CN[C@H](C)c2cc(C)cc(C)c2)n[nH]1 ZINC000593321593 411139797 /nfs/dbraw/zinc/13/97/97/411139797.db2.gz IHIOOTVIFAGYEK-CYBMUJFWSA-N 0 3 243.354 3.186 20 0 BGADHN Cc1cc(CN[C@H](C)c2cc(C)cc(C)c2)[nH]n1 ZINC000593321593 411139796 /nfs/dbraw/zinc/13/97/96/411139796.db2.gz IHIOOTVIFAGYEK-CYBMUJFWSA-N 0 3 243.354 3.186 20 0 BGADHN Cc1cc(CN[C@@H](C)c2cc(C)cc(C)c2)n[nH]1 ZINC000593321594 411139853 /nfs/dbraw/zinc/13/98/53/411139853.db2.gz IHIOOTVIFAGYEK-ZDUSSCGKSA-N 0 3 243.354 3.186 20 0 BGADHN Cc1cc(CN[C@@H](C)c2cc(C)cc(C)c2)[nH]n1 ZINC000593321594 411139852 /nfs/dbraw/zinc/13/98/52/411139852.db2.gz IHIOOTVIFAGYEK-ZDUSSCGKSA-N 0 3 243.354 3.186 20 0 BGADHN CN(C)CCSCCC(C)(C)C1CC1 ZINC000594448583 348057055 /nfs/dbraw/zinc/05/70/55/348057055.db2.gz NCNSZVUFJBQJED-UHFFFAOYSA-N 0 3 215.406 3.108 20 0 BGADHN CCCc1ccc(CNCCOCC2CC2)cc1 ZINC000594777743 348114286 /nfs/dbraw/zinc/11/42/86/348114286.db2.gz FYYUAFNETOWAIJ-UHFFFAOYSA-N 0 3 247.382 3.155 20 0 BGADHN CN(C)CCSCc1ccsc1Cl ZINC000594891816 348125959 /nfs/dbraw/zinc/12/59/59/348125959.db2.gz OMQAHTFKWCLSFZ-UHFFFAOYSA-N 0 3 235.805 3.196 20 0 BGADHN CN(C)CCSCC[C@@H]1CCc2ccccc21 ZINC000594892280 348126283 /nfs/dbraw/zinc/12/62/83/348126283.db2.gz RXUHRNJQSFFELD-AWEZNQCLSA-N 0 3 249.423 3.401 20 0 BGADHN CN(C)CCSCC[C@H]1CCc2ccccc21 ZINC000594892281 348126314 /nfs/dbraw/zinc/12/63/14/348126314.db2.gz RXUHRNJQSFFELD-CQSZACIVSA-N 0 3 249.423 3.401 20 0 BGADHN CSc1cccc(CSCCN(C)C)c1 ZINC000594892435 348126511 /nfs/dbraw/zinc/12/65/11/348126511.db2.gz XUNIZNUYHBWOIO-UHFFFAOYSA-N 0 3 241.425 3.203 20 0 BGADHN CCc1cccc2cc(CNCCSC)oc21 ZINC000594917280 348152685 /nfs/dbraw/zinc/15/26/85/348152685.db2.gz IQUOHHYERIJOBT-UHFFFAOYSA-N 0 3 249.379 3.448 20 0 BGADHN CSCC1(CCNCc2occc2C)CC1 ZINC000594963303 348156848 /nfs/dbraw/zinc/15/68/48/348156848.db2.gz MENYLGGRYBTBRF-UHFFFAOYSA-N 0 3 239.384 3.211 20 0 BGADHN CSCC1(CCNCc2ccc(C)o2)CC1 ZINC000594963540 348143699 /nfs/dbraw/zinc/14/36/99/348143699.db2.gz QUVKMTSLFSBSKH-UHFFFAOYSA-N 0 3 239.384 3.211 20 0 BGADHN CCSC1(CNCc2ccc(Cl)o2)CC1 ZINC000594984592 348165564 /nfs/dbraw/zinc/16/55/64/348165564.db2.gz NUBXOCCNNCABMO-UHFFFAOYSA-N 0 3 245.775 3.308 20 0 BGADHN CCSC1(CNCc2ccccc2F)CC1 ZINC000594984922 348165712 /nfs/dbraw/zinc/16/57/12/348165712.db2.gz RFBONZHPNVOWCS-UHFFFAOYSA-N 0 3 239.359 3.201 20 0 BGADHN CCSC1(CNCc2ccc(CC)o2)CC1 ZINC000594986789 348166452 /nfs/dbraw/zinc/16/64/52/348166452.db2.gz KEZIMSUSQXLPMZ-UHFFFAOYSA-N 0 3 239.384 3.217 20 0 BGADHN C[C@@H](CSCCF)NCc1cccc(F)c1 ZINC000595003248 348169269 /nfs/dbraw/zinc/16/92/69/348169269.db2.gz DSQIBLCRQBEXKF-JTQLQIEISA-N 0 3 245.338 3.007 20 0 BGADHN C[C@H](CSCCF)NCc1cccc(F)c1 ZINC000595003249 348169458 /nfs/dbraw/zinc/16/94/58/348169458.db2.gz DSQIBLCRQBEXKF-SNVBAGLBSA-N 0 3 245.338 3.007 20 0 BGADHN CSCCN[C@H](C)c1ccc(C(F)F)nc1 ZINC000595005261 348170051 /nfs/dbraw/zinc/17/00/51/348170051.db2.gz AWALIHPYKAEYDD-MRVPVSSYSA-N 0 3 246.326 3.033 20 0 BGADHN CSCCN[C@@H](C)c1ccc(C(F)F)nc1 ZINC000595005262 348170046 /nfs/dbraw/zinc/17/00/46/348170046.db2.gz AWALIHPYKAEYDD-QMMMGPOBSA-N 0 3 246.326 3.033 20 0 BGADHN C[C@@H](CSCCF)NCc1ccccc1F ZINC000595006561 348158027 /nfs/dbraw/zinc/15/80/27/348158027.db2.gz KOZBVLNXYBELQZ-JTQLQIEISA-N 0 3 245.338 3.007 20 0 BGADHN C[C@H](CSCCF)NCc1ccccc1F ZINC000595006562 348158005 /nfs/dbraw/zinc/15/80/05/348158005.db2.gz KOZBVLNXYBELQZ-SNVBAGLBSA-N 0 3 245.338 3.007 20 0 BGADHN C[C@@H](CSCCF)NCc1ccc(F)cc1 ZINC000595007630 348158724 /nfs/dbraw/zinc/15/87/24/348158724.db2.gz PCZHZEIVLPBSNC-JTQLQIEISA-N 0 3 245.338 3.007 20 0 BGADHN C[C@H](CSCCF)NCc1ccc(F)cc1 ZINC000595007631 348158797 /nfs/dbraw/zinc/15/87/97/348158797.db2.gz PCZHZEIVLPBSNC-SNVBAGLBSA-N 0 3 245.338 3.007 20 0 BGADHN Cc1cc(C)nc(N[C@H](C)CSCCF)c1 ZINC000595030147 348173893 /nfs/dbraw/zinc/17/38/93/348173893.db2.gz NYJZAIGQAVFDLF-LLVKDONJSA-N 0 3 242.363 3.202 20 0 BGADHN Cc1cc(C)nc(N[C@@H](C)CSCCF)c1 ZINC000595030148 348173855 /nfs/dbraw/zinc/17/38/55/348173855.db2.gz NYJZAIGQAVFDLF-NSHDSACASA-N 0 3 242.363 3.202 20 0 BGADHN C[C@H](CSCCF)N[C@H](C)c1ccsc1 ZINC000595038530 348176913 /nfs/dbraw/zinc/17/69/13/348176913.db2.gz KXGYSGOHCVRXCA-NXEZZACHSA-N 0 3 247.404 3.490 20 0 BGADHN C[C@@H](CSCCF)N[C@@H](C)c1ccsc1 ZINC000595038531 348176796 /nfs/dbraw/zinc/17/67/96/348176796.db2.gz KXGYSGOHCVRXCA-UWVGGRQHSA-N 0 3 247.404 3.490 20 0 BGADHN C[C@@H](N[C@@H](C)CSCCF)c1ccsc1 ZINC000595038532 348176750 /nfs/dbraw/zinc/17/67/50/348176750.db2.gz KXGYSGOHCVRXCA-VHSXEESVSA-N 0 3 247.404 3.490 20 0 BGADHN C[C@H](CSCCF)N[C@@H](C)c1ccsc1 ZINC000595038533 348176783 /nfs/dbraw/zinc/17/67/83/348176783.db2.gz KXGYSGOHCVRXCA-ZJUUUORDSA-N 0 3 247.404 3.490 20 0 BGADHN Cc1cscc1CN[C@@H](C)CSCCF ZINC000595047085 397979779 /nfs/dbraw/zinc/97/97/79/397979779.db2.gz QLTYZCMCNVCZBI-JTQLQIEISA-N 0 3 247.404 3.237 20 0 BGADHN Cc1cscc1CN[C@H](C)CSCCF ZINC000595047086 397979846 /nfs/dbraw/zinc/97/98/46/397979846.db2.gz QLTYZCMCNVCZBI-SNVBAGLBSA-N 0 3 247.404 3.237 20 0 BGADHN CSCC1(CCN[C@H](C)c2ccco2)CC1 ZINC000595065910 348186489 /nfs/dbraw/zinc/18/64/89/348186489.db2.gz GLQIGHCPHZBYHJ-LLVKDONJSA-N 0 3 239.384 3.464 20 0 BGADHN CSCC1(CCN[C@@H](C)c2ccco2)CC1 ZINC000595065911 348186789 /nfs/dbraw/zinc/18/67/89/348186789.db2.gz GLQIGHCPHZBYHJ-NSHDSACASA-N 0 3 239.384 3.464 20 0 BGADHN CCSC1(CN[C@H](C)c2cncs2)CC1 ZINC000595097634 348194296 /nfs/dbraw/zinc/19/42/96/348194296.db2.gz APBQPLVBYLPTIZ-SECBINFHSA-N 0 3 242.413 3.079 20 0 BGADHN CCSC1(CN[C@@H](C)c2cncs2)CC1 ZINC000595097635 348194473 /nfs/dbraw/zinc/19/44/73/348194473.db2.gz APBQPLVBYLPTIZ-VIFPVBQESA-N 0 3 242.413 3.079 20 0 BGADHN CCSC1(CN[C@@H](C)c2ccco2)CC1 ZINC000595098891 348194291 /nfs/dbraw/zinc/19/42/91/348194291.db2.gz JDUGENNJWRPFTD-JTQLQIEISA-N 0 3 225.357 3.216 20 0 BGADHN CCSC1(CN[C@H](C)c2ccco2)CC1 ZINC000595098892 348194253 /nfs/dbraw/zinc/19/42/53/348194253.db2.gz JDUGENNJWRPFTD-SNVBAGLBSA-N 0 3 225.357 3.216 20 0 BGADHN CCSC1(CN[C@@H](C)c2ccoc2)CC1 ZINC000595099634 348194204 /nfs/dbraw/zinc/19/42/04/348194204.db2.gz MPRZMSCFLBCEBJ-JTQLQIEISA-N 0 3 225.357 3.216 20 0 BGADHN CCSC1(CN[C@H](C)c2ccoc2)CC1 ZINC000595099635 348195275 /nfs/dbraw/zinc/19/52/75/348195275.db2.gz MPRZMSCFLBCEBJ-SNVBAGLBSA-N 0 3 225.357 3.216 20 0 BGADHN CCSC1(CN[C@H](C)c2cccnc2)CC1 ZINC000595100686 348195206 /nfs/dbraw/zinc/19/52/06/348195206.db2.gz UNOXVCSXUASZDW-LLVKDONJSA-N 0 3 236.384 3.018 20 0 BGADHN CCSC1(CN[C@@H](C)c2cccnc2)CC1 ZINC000595100687 348195252 /nfs/dbraw/zinc/19/52/52/348195252.db2.gz UNOXVCSXUASZDW-NSHDSACASA-N 0 3 236.384 3.018 20 0 BGADHN CCSC1(CN[C@H](C)c2ccccn2)CC1 ZINC000595101538 348195360 /nfs/dbraw/zinc/19/53/60/348195360.db2.gz WKADYDZFHQFQMT-LLVKDONJSA-N 0 3 236.384 3.018 20 0 BGADHN CCSC1(CN[C@@H](C)c2ccccn2)CC1 ZINC000595101539 348195178 /nfs/dbraw/zinc/19/51/78/348195178.db2.gz WKADYDZFHQFQMT-NSHDSACASA-N 0 3 236.384 3.018 20 0 BGADHN CC(C)N(Cc1ccccn1)[C@H]1C=CCCC1 ZINC000595556606 348274346 /nfs/dbraw/zinc/27/43/46/348274346.db2.gz KRHQMSCSQLANDK-HNNXBMFYSA-N 0 3 230.355 3.401 20 0 BGADHN CC(C)N(Cc1ccccn1)[C@@H]1C=CCCC1 ZINC000595556607 348274378 /nfs/dbraw/zinc/27/43/78/348274378.db2.gz KRHQMSCSQLANDK-OAHLLOKOSA-N 0 3 230.355 3.401 20 0 BGADHN CC(C)[C@@H]1CCCN1Cc1noc2c1CCCC2 ZINC000595564417 348282269 /nfs/dbraw/zinc/28/22/69/348282269.db2.gz UNSKKZNWAYPOAZ-AWEZNQCLSA-N 0 3 248.370 3.174 20 0 BGADHN CC(C)[C@H]1CCCN1Cc1noc2c1CCCC2 ZINC000595564418 348282314 /nfs/dbraw/zinc/28/23/14/348282314.db2.gz UNSKKZNWAYPOAZ-CQSZACIVSA-N 0 3 248.370 3.174 20 0 BGADHN CCSCCN1CCC(c2ccco2)CC1 ZINC000595614830 348287960 /nfs/dbraw/zinc/28/79/60/348287960.db2.gz IZRRWDRZUHUONU-UHFFFAOYSA-N 0 3 239.384 3.212 20 0 BGADHN CCSCCN1CCc2ccc(C)cc2C1 ZINC000595658350 348298089 /nfs/dbraw/zinc/29/80/89/348298089.db2.gz UASLRVZVWUDRHW-UHFFFAOYSA-N 0 3 235.396 3.106 20 0 BGADHN CSCCN[C@@H](c1ccccc1F)C(C)C ZINC000595694913 348305270 /nfs/dbraw/zinc/30/52/70/348305270.db2.gz WMQPJBOGQZITJZ-CYBMUJFWSA-N 0 3 241.375 3.475 20 0 BGADHN CSCCN[C@H](c1ccccc1F)C(C)C ZINC000595694915 348305618 /nfs/dbraw/zinc/30/56/18/348305618.db2.gz WMQPJBOGQZITJZ-ZDUSSCGKSA-N 0 3 241.375 3.475 20 0 BGADHN CSCCCN1CC[C@@H]1c1ccc(F)cc1 ZINC000595702238 487876153 /nfs/dbraw/zinc/87/61/53/487876153.db2.gz HZOHOTLXDZHGRC-CYBMUJFWSA-N 0 3 239.359 3.326 20 0 BGADHN CSCCCN1CC[C@H]1c1ccc(F)cc1 ZINC000595702239 487876281 /nfs/dbraw/zinc/87/62/81/487876281.db2.gz HZOHOTLXDZHGRC-ZDUSSCGKSA-N 0 3 239.359 3.326 20 0 BGADHN CSCCN[C@]1(c2ccccc2)CC1(C)C ZINC000595908580 348397930 /nfs/dbraw/zinc/39/79/30/348397930.db2.gz IRKJMRCRFQJFOF-AWEZNQCLSA-N 0 3 235.396 3.264 20 0 BGADHN CSCCN[C@@]1(c2ccccc2)CC1(C)C ZINC000595908581 348398290 /nfs/dbraw/zinc/39/82/90/348398290.db2.gz IRKJMRCRFQJFOF-CQSZACIVSA-N 0 3 235.396 3.264 20 0 BGADHN Cc1ccc(CCNCc2ccc(C)c(F)c2)o1 ZINC000596638302 348598921 /nfs/dbraw/zinc/59/89/21/348598921.db2.gz MMFZDOPQJDNLLI-UHFFFAOYSA-N 0 3 247.313 3.368 20 0 BGADHN CCc1ncc(CN(C)CCC(C)C)s1 ZINC000597088167 348657006 /nfs/dbraw/zinc/65/70/06/348657006.db2.gz MEQDEAIGDIMKSU-UHFFFAOYSA-N 0 3 226.389 3.183 20 0 BGADHN CCSCCN1CC(C)(c2ccccc2)C1 ZINC000598676756 349020521 /nfs/dbraw/zinc/02/05/21/349020521.db2.gz KGGDRHZQWWLRAD-UHFFFAOYSA-N 0 3 235.396 3.013 20 0 BGADHN CSC1(CN2CC(C)(c3ccccc3)C2)CC1 ZINC000598677586 349021167 /nfs/dbraw/zinc/02/11/67/349021167.db2.gz PMIPHRRYLSBPCP-UHFFFAOYSA-N 0 3 247.407 3.156 20 0 BGADHN CC[C@H](CSC)N[C@H](C)c1nc(C)cs1 ZINC000599038152 349080287 /nfs/dbraw/zinc/08/02/87/349080287.db2.gz OHWBDVOMRCKAED-NXEZZACHSA-N 0 3 244.429 3.244 20 0 BGADHN CC[C@@H](CSC)N[C@@H](C)c1nc(C)cs1 ZINC000599038161 349080621 /nfs/dbraw/zinc/08/06/21/349080621.db2.gz OHWBDVOMRCKAED-UWVGGRQHSA-N 0 3 244.429 3.244 20 0 BGADHN CC[C@H](CSC)N[C@@H](C)c1nc(C)cs1 ZINC000599038162 349080652 /nfs/dbraw/zinc/08/06/52/349080652.db2.gz OHWBDVOMRCKAED-VHSXEESVSA-N 0 3 244.429 3.244 20 0 BGADHN CC[C@@H](CSC)N[C@H](C)c1nc(C)cs1 ZINC000599038164 349080463 /nfs/dbraw/zinc/08/04/63/349080463.db2.gz OHWBDVOMRCKAED-ZJUUUORDSA-N 0 3 244.429 3.244 20 0 BGADHN C/C=C\CN[C@H](CC)c1ccc(C(=O)OC)cc1 ZINC000599080551 349096208 /nfs/dbraw/zinc/09/62/08/349096208.db2.gz HJQRURGGEBZCDX-KXQLTZBTSA-N 0 3 247.338 3.090 20 0 BGADHN C/C=C\CN[C@@H](CC)c1ccc(C(=O)OC)cc1 ZINC000599080552 349096030 /nfs/dbraw/zinc/09/60/30/349096030.db2.gz HJQRURGGEBZCDX-SDQPKGBYSA-N 0 3 247.338 3.090 20 0 BGADHN C/C=C/CN[C@H](CC)c1ccc(C(=O)OC)cc1 ZINC000599080554 349095995 /nfs/dbraw/zinc/09/59/95/349095995.db2.gz HJQRURGGEBZCDX-YVARQFDVSA-N 0 3 247.338 3.090 20 0 BGADHN C/C=C/CN[C@@H](CC)c1ccc(C(=O)OC)cc1 ZINC000599080556 349096088 /nfs/dbraw/zinc/09/60/88/349096088.db2.gz HJQRURGGEBZCDX-YVZNUBBCSA-N 0 3 247.338 3.090 20 0 BGADHN Cc1occc1CNc1ccnc2ccccc21 ZINC000599542699 349214212 /nfs/dbraw/zinc/21/42/12/349214212.db2.gz WPDZTEPZNNEXMA-UHFFFAOYSA-N 0 3 238.290 3.170 20 0 BGADHN c1ccc2c(c1)nccc2NC[C@@H]1CC=CCC1 ZINC000599572038 349224414 /nfs/dbraw/zinc/22/44/14/349224414.db2.gz UBRDYVXPMVGBKT-CYBMUJFWSA-N 0 3 238.334 3.425 20 0 BGADHN c1ccc2c(c1)nccc2NC[C@H]1CC=CCC1 ZINC000599572039 349224447 /nfs/dbraw/zinc/22/44/47/349224447.db2.gz UBRDYVXPMVGBKT-ZDUSSCGKSA-N 0 3 238.334 3.425 20 0 BGADHN CC(C)SCCN1CCC(F)(F)C[C@@H]1C ZINC000599625876 349230340 /nfs/dbraw/zinc/23/03/40/349230340.db2.gz AWQKBIJCHOCLSV-JTQLQIEISA-N 0 3 237.359 3.248 20 0 BGADHN CC(C)SCCN1CCC(F)(F)C[C@H]1C ZINC000599625882 349230816 /nfs/dbraw/zinc/23/08/16/349230816.db2.gz AWQKBIJCHOCLSV-SNVBAGLBSA-N 0 3 237.359 3.248 20 0 BGADHN CCC1CCN([C@H](C)c2ccncc2)CC1 ZINC000600628340 344344417 /nfs/dbraw/zinc/34/44/17/344344417.db2.gz RBZZQXHGFDWSIL-GFCCVEGCSA-N 0 3 218.344 3.265 20 0 BGADHN CCC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000600628342 344344482 /nfs/dbraw/zinc/34/44/82/344344482.db2.gz RBZZQXHGFDWSIL-LBPRGKRZSA-N 0 3 218.344 3.265 20 0 BGADHN CC(C)OC1CCN([C@H](C)c2ccncc2)CC1 ZINC000600645757 344350765 /nfs/dbraw/zinc/35/07/65/344350765.db2.gz NBKSAVGGTFUSKY-CYBMUJFWSA-N 0 3 248.370 3.032 20 0 BGADHN CC(C)OC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000600645759 344351127 /nfs/dbraw/zinc/35/11/27/344351127.db2.gz NBKSAVGGTFUSKY-ZDUSSCGKSA-N 0 3 248.370 3.032 20 0 BGADHN CC[C@@H](C)CN(C)Cc1cn2cccc(C)c2n1 ZINC000600655195 344352217 /nfs/dbraw/zinc/35/22/17/344352217.db2.gz KJGXZNMFBAZYPB-GFCCVEGCSA-N 0 3 245.370 3.121 20 0 BGADHN CC[C@H](C)CN(C)Cc1cn2cccc(C)c2n1 ZINC000600655197 344352457 /nfs/dbraw/zinc/35/24/57/344352457.db2.gz KJGXZNMFBAZYPB-LBPRGKRZSA-N 0 3 245.370 3.121 20 0 BGADHN CC[C@H](C)CN(C)Cc1cccc(F)c1F ZINC000600685105 344358668 /nfs/dbraw/zinc/35/86/68/344358668.db2.gz GCZBPIWMDUDDPK-JTQLQIEISA-N 0 3 227.298 3.443 20 0 BGADHN CC[C@@H](C)CN(C)Cc1cccc(F)c1F ZINC000600685106 344358634 /nfs/dbraw/zinc/35/86/34/344358634.db2.gz GCZBPIWMDUDDPK-SNVBAGLBSA-N 0 3 227.298 3.443 20 0 BGADHN C[C@@H](c1ccncc1)N1CC[C@@H](c2ccco2)C1 ZINC000600687454 344359053 /nfs/dbraw/zinc/35/90/53/344359053.db2.gz VCAXJOYNXJXKKM-GXTWGEPZSA-N 0 3 242.322 3.225 20 0 BGADHN C[C@@H](c1ccncc1)N1CC[C@H](c2ccco2)C1 ZINC000600687457 344359169 /nfs/dbraw/zinc/35/91/69/344359169.db2.gz VCAXJOYNXJXKKM-JSGCOSHPSA-N 0 3 242.322 3.225 20 0 BGADHN C[C@H](c1ccncc1)N1CC[C@H](c2ccco2)C1 ZINC000600687458 344359142 /nfs/dbraw/zinc/35/91/42/344359142.db2.gz VCAXJOYNXJXKKM-OCCSQVGLSA-N 0 3 242.322 3.225 20 0 BGADHN C[C@H](c1ccncc1)N1CC[C@@H](c2ccco2)C1 ZINC000600687459 344359205 /nfs/dbraw/zinc/35/92/05/344359205.db2.gz VCAXJOYNXJXKKM-TZMCWYRMSA-N 0 3 242.322 3.225 20 0 BGADHN Cc1ncc(CN2CC[C@@H](c3ccco3)C2)s1 ZINC000600687522 344359040 /nfs/dbraw/zinc/35/90/40/344359040.db2.gz VZSPVJBSUAWKIC-LLVKDONJSA-N 0 3 248.351 3.034 20 0 BGADHN Cc1ncc(CN2CC[C@H](c3ccco3)C2)s1 ZINC000600687528 344359227 /nfs/dbraw/zinc/35/92/27/344359227.db2.gz VZSPVJBSUAWKIC-NSHDSACASA-N 0 3 248.351 3.034 20 0 BGADHN CC(C)C(C)(C)NCc1nn(C)c2ccccc12 ZINC000600801806 344375592 /nfs/dbraw/zinc/37/55/92/344375592.db2.gz BUAQLDWTTCZJSD-UHFFFAOYSA-N 0 3 245.370 3.098 20 0 BGADHN CSCCCCNCc1ccc(C)cc1F ZINC000601107601 346062369 /nfs/dbraw/zinc/06/23/69/346062369.db2.gz CFCLPOMGIVYHLO-UHFFFAOYSA-N 0 3 241.375 3.367 20 0 BGADHN CSC1(CNCc2ccc(C)cc2F)CC1 ZINC000601119391 346148487 /nfs/dbraw/zinc/14/84/87/346148487.db2.gz YEYNQYHZZQCNPG-UHFFFAOYSA-N 0 3 239.359 3.119 20 0 BGADHN CCC[C@@H](NCCSC)c1cc(C)ccn1 ZINC000601261095 347041241 /nfs/dbraw/zinc/04/12/41/347041241.db2.gz KNCXGPSSWDOWIN-GFCCVEGCSA-N 0 3 238.400 3.184 20 0 BGADHN CCC[C@H](NCCSC)c1cc(C)ccn1 ZINC000601261096 347041186 /nfs/dbraw/zinc/04/11/86/347041186.db2.gz KNCXGPSSWDOWIN-LBPRGKRZSA-N 0 3 238.400 3.184 20 0 BGADHN Cc1ccccc1[C@@H](NCc1cn[nH]c1)C(C)C ZINC000601772477 349339527 /nfs/dbraw/zinc/33/95/27/349339527.db2.gz PRNGVIYPEQRTBH-HNNXBMFYSA-N 0 3 243.354 3.205 20 0 BGADHN Cc1ccccc1[C@H](NCc1cn[nH]c1)C(C)C ZINC000601772517 349340479 /nfs/dbraw/zinc/34/04/79/349340479.db2.gz PRNGVIYPEQRTBH-OAHLLOKOSA-N 0 3 243.354 3.205 20 0 BGADHN CN(C)CCSCc1cccc2ncccc12 ZINC000601913751 349378716 /nfs/dbraw/zinc/37/87/16/349378716.db2.gz RGEXGWGSUBMNMO-UHFFFAOYSA-N 0 3 246.379 3.030 20 0 BGADHN CSCC[C@H](C)N(C)Cc1cc(C)ns1 ZINC000602474057 349562576 /nfs/dbraw/zinc/56/25/76/349562576.db2.gz OXAXGPQESSUKDZ-JTQLQIEISA-N 0 3 244.429 3.025 20 0 BGADHN CSCC[C@@H](C)N(C)Cc1cc(C)ns1 ZINC000602474058 349562381 /nfs/dbraw/zinc/56/23/81/349562381.db2.gz OXAXGPQESSUKDZ-SNVBAGLBSA-N 0 3 244.429 3.025 20 0 BGADHN CC(C)CSCCCNCc1ccns1 ZINC000602576907 349606707 /nfs/dbraw/zinc/60/67/07/349606707.db2.gz LOHLOIUYTSMBDO-UHFFFAOYSA-N 0 3 244.429 3.012 20 0 BGADHN CS[C@@H](CNCc1ccns1)C(C)(C)C ZINC000602612073 349635617 /nfs/dbraw/zinc/63/56/17/349635617.db2.gz YWNXJEFZGUCFEO-JTQLQIEISA-N 0 3 244.429 3.010 20 0 BGADHN CS[C@H](CNCc1ccns1)C(C)(C)C ZINC000602612074 349635832 /nfs/dbraw/zinc/63/58/32/349635832.db2.gz YWNXJEFZGUCFEO-SNVBAGLBSA-N 0 3 244.429 3.010 20 0 BGADHN CC[C@@H](CSC)N(C)Cc1cc(C)ns1 ZINC000602669149 349685472 /nfs/dbraw/zinc/68/54/72/349685472.db2.gz YVOSXFLYUSVQNR-JTQLQIEISA-N 0 3 244.429 3.025 20 0 BGADHN CC[C@H](CSC)N(C)Cc1cc(C)ns1 ZINC000602669150 349685689 /nfs/dbraw/zinc/68/56/89/349685689.db2.gz YVOSXFLYUSVQNR-SNVBAGLBSA-N 0 3 244.429 3.025 20 0 BGADHN CS[C@@H]1CCN(Cc2ccc(C)cc2F)C1 ZINC000602680044 349672471 /nfs/dbraw/zinc/67/24/71/349672471.db2.gz NLJUEJPAZJNHKB-GFCCVEGCSA-N 0 3 239.359 3.071 20 0 BGADHN CS[C@H]1CCN(Cc2ccc(C)cc2F)C1 ZINC000602680045 349672653 /nfs/dbraw/zinc/67/26/53/349672653.db2.gz NLJUEJPAZJNHKB-LBPRGKRZSA-N 0 3 239.359 3.071 20 0 BGADHN CSC1CCN(Cc2cccs2)CC1 ZINC000602724224 349714427 /nfs/dbraw/zinc/71/44/27/349714427.db2.gz BAJLJEKNCZINTO-UHFFFAOYSA-N 0 3 227.398 3.076 20 0 BGADHN CSC1CCN(Cc2cccc(F)c2)CC1 ZINC000602724346 349714294 /nfs/dbraw/zinc/71/42/94/349714294.db2.gz FILGRQBQORKJQD-UHFFFAOYSA-N 0 3 239.359 3.153 20 0 BGADHN CSC1CCN(Cc2ccc(C)s2)CC1 ZINC000602725022 349714920 /nfs/dbraw/zinc/71/49/20/349714920.db2.gz HKUSWCFEGMGCCV-UHFFFAOYSA-N 0 3 241.425 3.384 20 0 BGADHN CC(C)(F)CNCCSCc1ccccc1 ZINC000602725514 349714820 /nfs/dbraw/zinc/71/48/20/349714820.db2.gz GNMKVOOKIPBCHW-UHFFFAOYSA-N 0 3 241.375 3.258 20 0 BGADHN CCc1ccc(CN2CCC(SC)CC2)o1 ZINC000602725639 349715055 /nfs/dbraw/zinc/71/50/55/349715055.db2.gz KUJGCVVDKFINCP-UHFFFAOYSA-N 0 3 239.384 3.169 20 0 BGADHN CSC1CCN(Cc2ccc(F)cc2)CC1 ZINC000602725751 349714987 /nfs/dbraw/zinc/71/49/87/349714987.db2.gz MVZORXLOFWVQON-UHFFFAOYSA-N 0 3 239.359 3.153 20 0 BGADHN CSC1CCN(Cc2ccsc2)CC1 ZINC000602725798 349715133 /nfs/dbraw/zinc/71/51/33/349715133.db2.gz NYZXEWOYNFDJJF-UHFFFAOYSA-N 0 3 227.398 3.076 20 0 BGADHN CSC1CCN(Cc2ccccc2F)CC1 ZINC000602726322 349715874 /nfs/dbraw/zinc/71/58/74/349715874.db2.gz QNHKMYYRUHWSIN-UHFFFAOYSA-N 0 3 239.359 3.153 20 0 BGADHN CSC1CCN(Cc2csc(C)c2)CC1 ZINC000602727397 349716153 /nfs/dbraw/zinc/71/61/53/349716153.db2.gz QHIGIXCSLRQTJT-UHFFFAOYSA-N 0 3 241.425 3.384 20 0 BGADHN CSC1CCN(Cc2ccsc2C)CC1 ZINC000602728128 349716169 /nfs/dbraw/zinc/71/61/69/349716169.db2.gz XXPDETWQZBNGRA-UHFFFAOYSA-N 0 3 241.425 3.384 20 0 BGADHN CC(C)(C)CCN1CCOc2ccccc2C1 ZINC000602877192 349806657 /nfs/dbraw/zinc/80/66/57/349806657.db2.gz DVVDCCQYULMIMB-UHFFFAOYSA-N 0 3 233.355 3.317 20 0 BGADHN C[C@H](c1ccncc1)N1CCCC(C)(C)C1 ZINC000602881125 349791160 /nfs/dbraw/zinc/79/11/60/349791160.db2.gz QRHSKVPOUYSZSF-GFCCVEGCSA-N 0 3 218.344 3.265 20 0 BGADHN C[C@@H](c1ccncc1)N1CCCC(C)(C)C1 ZINC000602881126 349791143 /nfs/dbraw/zinc/79/11/43/349791143.db2.gz QRHSKVPOUYSZSF-LBPRGKRZSA-N 0 3 218.344 3.265 20 0 BGADHN Cc1ncccc1CNC/C=C\c1ccccc1 ZINC000602909448 349807196 /nfs/dbraw/zinc/80/71/96/349807196.db2.gz VLXVRULMVSFDAO-UITAMQMPSA-N 0 3 238.334 3.193 20 0 BGADHN Cc1ncccc1CNC/C=C/c1ccccc1 ZINC000602909449 349807617 /nfs/dbraw/zinc/80/76/17/349807617.db2.gz VLXVRULMVSFDAO-WEVVVXLNSA-N 0 3 238.334 3.193 20 0 BGADHN CSCCCCNCc1ccc(SC)o1 ZINC000603420152 349946369 /nfs/dbraw/zinc/94/63/69/349946369.db2.gz GLWIIDFJNLMBJW-UHFFFAOYSA-N 0 3 245.413 3.234 20 0 BGADHN CC[C@H](CSC)NCc1ccc(SC)o1 ZINC000603428515 349950721 /nfs/dbraw/zinc/95/07/21/349950721.db2.gz UWOKGNJLSQHLIS-SECBINFHSA-N 0 3 245.413 3.233 20 0 BGADHN CC[C@@H](CSC)NCc1ccc(SC)o1 ZINC000603428516 349950634 /nfs/dbraw/zinc/95/06/34/349950634.db2.gz UWOKGNJLSQHLIS-VIFPVBQESA-N 0 3 245.413 3.233 20 0 BGADHN CSc1ccc(CNCCSC(C)C)o1 ZINC000603429861 349951520 /nfs/dbraw/zinc/95/15/20/349951520.db2.gz SJGGZEHMPGXFQF-UHFFFAOYSA-N 0 3 245.413 3.233 20 0 BGADHN CCSCCCNCc1ccc(SC)o1 ZINC000603434267 385857385 /nfs/dbraw/zinc/85/73/85/385857385.db2.gz KYZLVAMXQJGQMV-UHFFFAOYSA-N 0 3 245.413 3.234 20 0 BGADHN Cc1ccccc1CN1CCOC[C@@H]1CC(C)C ZINC000603713540 350014322 /nfs/dbraw/zinc/01/43/22/350014322.db2.gz KGPAOHUHJYXYPC-INIZCTEOSA-N 0 3 247.382 3.242 20 0 BGADHN Cc1ccccc1CN1CCOC[C@H]1CC(C)C ZINC000603713544 350014015 /nfs/dbraw/zinc/01/40/15/350014015.db2.gz KGPAOHUHJYXYPC-MRXNPFEDSA-N 0 3 247.382 3.242 20 0 BGADHN CCN(CCSC)Cc1ccc(F)c(F)c1 ZINC000603856462 350045882 /nfs/dbraw/zinc/04/58/82/350045882.db2.gz UYYOTQPMPAUKPM-UHFFFAOYSA-N 0 3 245.338 3.150 20 0 BGADHN CCC(C)(C)N(C)Cc1cn2cccc(C)c2n1 ZINC000603937848 350057121 /nfs/dbraw/zinc/05/71/21/350057121.db2.gz HWIIOPGCJHHBTF-UHFFFAOYSA-N 0 3 245.370 3.263 20 0 BGADHN C[C@@H]1CCCCCN1Cc1noc2c1CCCC2 ZINC000603942383 350057647 /nfs/dbraw/zinc/05/76/47/350057647.db2.gz MJENBFGIODNDMF-GFCCVEGCSA-N 0 3 248.370 3.318 20 0 BGADHN C[C@H]1CCCCCN1Cc1noc2c1CCCC2 ZINC000603942385 350057570 /nfs/dbraw/zinc/05/75/70/350057570.db2.gz MJENBFGIODNDMF-LBPRGKRZSA-N 0 3 248.370 3.318 20 0 BGADHN CC(C)(CNCc1ccoc1)Oc1ccccc1 ZINC000604079252 350076203 /nfs/dbraw/zinc/07/62/03/350076203.db2.gz CTEOUFWEOAGXMK-UHFFFAOYSA-N 0 3 245.322 3.227 20 0 BGADHN CC1(C)CN(CCc2ccccc2)C(C)(C)CO1 ZINC000604386425 350121523 /nfs/dbraw/zinc/12/15/23/350121523.db2.gz KXJVLVNUNZDVGZ-UHFFFAOYSA-N 0 3 247.382 3.119 20 0 BGADHN Cc1ccc(CN2CC(C)(C)OCC2(C)C)cc1 ZINC000604386850 350122289 /nfs/dbraw/zinc/12/22/89/350122289.db2.gz UMTMGAQIYWCELF-UHFFFAOYSA-N 0 3 247.382 3.384 20 0 BGADHN CC1(C)CN(Cc2ccccc2)C(C)(C)CO1 ZINC000604388005 350122709 /nfs/dbraw/zinc/12/27/09/350122709.db2.gz RQYCMZNISFYHSU-UHFFFAOYSA-N 0 3 233.355 3.076 20 0 BGADHN Cc1cccc(CN2CC(C)(C)OCC2(C)C)c1 ZINC000604388103 350122511 /nfs/dbraw/zinc/12/25/11/350122511.db2.gz ACYTVHGVADDZBV-UHFFFAOYSA-N 0 3 247.382 3.384 20 0 BGADHN Cc1ccccc1CN1CC(C)(C)OCC1(C)C ZINC000604388279 350122857 /nfs/dbraw/zinc/12/28/57/350122857.db2.gz IMOFLZJEDLYVRL-UHFFFAOYSA-N 0 3 247.382 3.384 20 0 BGADHN Cc1cc(CN[C@H](C)c2cccc(C)c2C)n[nH]1 ZINC000604418148 350127760 /nfs/dbraw/zinc/12/77/60/350127760.db2.gz JFNZWUKYFXGITR-CYBMUJFWSA-N 0 3 243.354 3.186 20 0 BGADHN Cc1cc(CN[C@H](C)c2cccc(C)c2C)[nH]n1 ZINC000604418148 350127759 /nfs/dbraw/zinc/12/77/59/350127759.db2.gz JFNZWUKYFXGITR-CYBMUJFWSA-N 0 3 243.354 3.186 20 0 BGADHN Cc1cc(CN[C@@H](C)c2cccc(C)c2C)n[nH]1 ZINC000604418149 350127735 /nfs/dbraw/zinc/12/77/35/350127735.db2.gz JFNZWUKYFXGITR-ZDUSSCGKSA-N 0 3 243.354 3.186 20 0 BGADHN Cc1cc(CN[C@@H](C)c2cccc(C)c2C)[nH]n1 ZINC000604418149 350127733 /nfs/dbraw/zinc/12/77/33/350127733.db2.gz JFNZWUKYFXGITR-ZDUSSCGKSA-N 0 3 243.354 3.186 20 0 BGADHN CCN(CCSC)CCc1ccccc1F ZINC000604500762 398103706 /nfs/dbraw/zinc/10/37/06/398103706.db2.gz TYADZLHFMMMHOW-UHFFFAOYSA-N 0 3 241.375 3.053 20 0 BGADHN CCN(CCSC)Cc1ccc(F)cc1 ZINC000604501459 398104320 /nfs/dbraw/zinc/10/43/20/398104320.db2.gz WYYONMOGRZTJRP-UHFFFAOYSA-N 0 3 227.348 3.011 20 0 BGADHN CCCN(CCSC)Cc1ccccc1F ZINC000604503367 411314061 /nfs/dbraw/zinc/31/40/61/411314061.db2.gz HYBNBSSZPPWIFV-UHFFFAOYSA-N 0 3 241.375 3.401 20 0 BGADHN CC[C@@H]1CN(C[C@@H](C)c2ccccc2)C[C@@H](C)O1 ZINC000604885242 350194244 /nfs/dbraw/zinc/19/42/44/350194244.db2.gz SKXOETYBJFZXDE-IIAWOOMASA-N 0 3 247.382 3.289 20 0 BGADHN CC[C@@H]1CN(C[C@@H](C)c2ccccc2)C[C@H](C)O1 ZINC000604885243 350194065 /nfs/dbraw/zinc/19/40/65/350194065.db2.gz SKXOETYBJFZXDE-IJEWVQPXSA-N 0 3 247.382 3.289 20 0 BGADHN CC[C@@H]1CN(C[C@H](C)c2ccccc2)C[C@H](C)O1 ZINC000604885244 350194321 /nfs/dbraw/zinc/19/43/21/350194321.db2.gz SKXOETYBJFZXDE-OFQRWUPVSA-N 0 3 247.382 3.289 20 0 BGADHN CC[C@@H]1CN(C[C@H](C)c2ccccc2)C[C@@H](C)O1 ZINC000604885245 350194270 /nfs/dbraw/zinc/19/42/70/350194270.db2.gz SKXOETYBJFZXDE-SQWLQELKSA-N 0 3 247.382 3.289 20 0 BGADHN CC1(C)CN(C/C=C\c2ccccc2)CCCO1 ZINC000604999277 350235685 /nfs/dbraw/zinc/23/56/85/350235685.db2.gz AWEYNMMEJYREFR-POHAHGRESA-N 0 3 245.366 3.201 20 0 BGADHN CCCCCN1CCOc2ccccc2C1 ZINC000605150020 350259110 /nfs/dbraw/zinc/25/91/10/350259110.db2.gz FFOKUIDRBPFEKY-UHFFFAOYSA-N 0 3 219.328 3.071 20 0 BGADHN CCCCCN(CC)CCC(F)(F)F ZINC000605150174 350260436 /nfs/dbraw/zinc/26/04/36/350260436.db2.gz GHJMQYOCAMPQLF-UHFFFAOYSA-N 0 3 211.271 3.451 20 0 BGADHN CC[C@@H]1CO[C@H](C)CN1CCc1ccc(C)cc1 ZINC000605573127 345968442 /nfs/dbraw/zinc/96/84/42/345968442.db2.gz CIELKBUNWRKLJR-GDBMZVCRSA-N 0 3 247.382 3.037 20 0 BGADHN CC[C@@H]1CO[C@@H](C)CN1CCc1ccc(C)cc1 ZINC000605573130 345968453 /nfs/dbraw/zinc/96/84/53/345968453.db2.gz CIELKBUNWRKLJR-GOEBONIOSA-N 0 3 247.382 3.037 20 0 BGADHN CC[C@H]1CO[C@@H](C)CN1CCc1ccc(C)cc1 ZINC000605573132 345968028 /nfs/dbraw/zinc/96/80/28/345968028.db2.gz CIELKBUNWRKLJR-HOCLYGCPSA-N 0 3 247.382 3.037 20 0 BGADHN CC[C@H]1CO[C@H](C)CN1CCc1ccc(C)cc1 ZINC000605573135 345968214 /nfs/dbraw/zinc/96/82/14/345968214.db2.gz CIELKBUNWRKLJR-ZBFHGGJFSA-N 0 3 247.382 3.037 20 0 BGADHN Cc1ccc(CCN2C[C@H](C)OC(C)(C)C2)cc1 ZINC000605574468 345969029 /nfs/dbraw/zinc/96/90/29/345969029.db2.gz XQFONNRMSGOJKD-AWEZNQCLSA-N 0 3 247.382 3.037 20 0 BGADHN Cc1ccc(CCN2C[C@@H](C)OC(C)(C)C2)cc1 ZINC000605574469 345968713 /nfs/dbraw/zinc/96/87/13/345968713.db2.gz XQFONNRMSGOJKD-CQSZACIVSA-N 0 3 247.382 3.037 20 0 BGADHN c1ccc2oc(CNC3CCCCC3)nc2c1 ZINC000605993501 398091036 /nfs/dbraw/zinc/09/10/36/398091036.db2.gz XPPSOENIBYIQFT-UHFFFAOYSA-N 0 3 230.311 3.250 20 0 BGADHN c1ccc2oc(CNCC3CCCCC3)nc2c1 ZINC000606144624 350279539 /nfs/dbraw/zinc/27/95/39/350279539.db2.gz HTQOYNXPCXEODW-UHFFFAOYSA-N 0 3 244.338 3.498 20 0 BGADHN CC[C@H]1CO[C@H](C)CN1Cc1c(C)cccc1C ZINC000606431500 350331643 /nfs/dbraw/zinc/33/16/43/350331643.db2.gz FILSYANMQRGKNG-CABCVRRESA-N 0 3 247.382 3.303 20 0 BGADHN CC[C@H]1CO[C@@H](C)CN1Cc1c(C)cccc1C ZINC000606431501 350331756 /nfs/dbraw/zinc/33/17/56/350331756.db2.gz FILSYANMQRGKNG-GJZGRUSLSA-N 0 3 247.382 3.303 20 0 BGADHN CC[C@@H]1CO[C@H](C)CN1Cc1c(C)cccc1C ZINC000606431502 350331573 /nfs/dbraw/zinc/33/15/73/350331573.db2.gz FILSYANMQRGKNG-HUUCEWRRSA-N 0 3 247.382 3.303 20 0 BGADHN CC[C@@H]1CO[C@@H](C)CN1Cc1c(C)cccc1C ZINC000606431503 350331505 /nfs/dbraw/zinc/33/15/05/350331505.db2.gz FILSYANMQRGKNG-LSDHHAIUSA-N 0 3 247.382 3.303 20 0 BGADHN CC[C@H]1CN(Cc2c(C)cccc2C)C[C@@H](C)O1 ZINC000606433619 350336631 /nfs/dbraw/zinc/33/66/31/350336631.db2.gz SCHILYUUSAEZCB-CABCVRRESA-N 0 3 247.382 3.303 20 0 BGADHN CC[C@H]1CN(Cc2c(C)cccc2C)C[C@H](C)O1 ZINC000606433620 350336839 /nfs/dbraw/zinc/33/68/39/350336839.db2.gz SCHILYUUSAEZCB-GJZGRUSLSA-N 0 3 247.382 3.303 20 0 BGADHN CC[C@@H]1CN(Cc2c(C)cccc2C)C[C@@H](C)O1 ZINC000606433621 350336495 /nfs/dbraw/zinc/33/64/95/350336495.db2.gz SCHILYUUSAEZCB-HUUCEWRRSA-N 0 3 247.382 3.303 20 0 BGADHN CC[C@@H]1CN(Cc2c(C)cccc2C)C[C@H](C)O1 ZINC000606433622 350336576 /nfs/dbraw/zinc/33/65/76/350336576.db2.gz SCHILYUUSAEZCB-LSDHHAIUSA-N 0 3 247.382 3.303 20 0 BGADHN CCN(Cc1cn2cccc(C)c2n1)C1CCC1 ZINC000606434579 350337506 /nfs/dbraw/zinc/33/75/06/350337506.db2.gz VLPSCYNTWQLEKM-UHFFFAOYSA-N 0 3 243.354 3.017 20 0 BGADHN CCO[C@H]1CCCN(Cc2cc(C)cc(C)c2)C1 ZINC000606438345 386148103 /nfs/dbraw/zinc/14/81/03/386148103.db2.gz LZKGAFORFZGQJH-INIZCTEOSA-N 0 3 247.382 3.304 20 0 BGADHN CCO[C@@H]1CCCN(Cc2cc(C)cc(C)c2)C1 ZINC000606438346 386147847 /nfs/dbraw/zinc/14/78/47/386147847.db2.gz LZKGAFORFZGQJH-MRXNPFEDSA-N 0 3 247.382 3.304 20 0 BGADHN CCO[C@@H]1CCCN(C/C=C\c2ccccc2)C1 ZINC000606438790 350333670 /nfs/dbraw/zinc/33/36/70/350333670.db2.gz MMQAMNQZDGFQSA-CXSQMQJXSA-N 0 3 245.366 3.201 20 0 BGADHN CCO[C@H]1CCCN(C/C=C\c2ccccc2)C1 ZINC000606438791 350333640 /nfs/dbraw/zinc/33/36/40/350333640.db2.gz MMQAMNQZDGFQSA-DIEDAUMRSA-N 0 3 245.366 3.201 20 0 BGADHN CCO[C@H]1CCCN(Cc2ccc(CC)cc2)C1 ZINC000606439126 350333513 /nfs/dbraw/zinc/33/35/13/350333513.db2.gz FWHMMWCTOAQKRU-INIZCTEOSA-N 0 3 247.382 3.250 20 0 BGADHN CCO[C@@H]1CCCN(Cc2ccc(CC)cc2)C1 ZINC000606439127 350333865 /nfs/dbraw/zinc/33/38/65/350333865.db2.gz FWHMMWCTOAQKRU-MRXNPFEDSA-N 0 3 247.382 3.250 20 0 BGADHN CC(C)CN1CCc2cc(F)ccc2[C@H]1C ZINC000606449447 350339148 /nfs/dbraw/zinc/33/91/48/350339148.db2.gz WSWYYOPLENZPHD-LLVKDONJSA-N 0 3 221.319 3.401 20 0 BGADHN CC(C)CN1CCc2cc(F)ccc2[C@@H]1C ZINC000606449448 350339162 /nfs/dbraw/zinc/33/91/62/350339162.db2.gz WSWYYOPLENZPHD-NSHDSACASA-N 0 3 221.319 3.401 20 0 BGADHN CCCN1CCc2cc(F)ccc2[C@@H]1C ZINC000606450203 350339256 /nfs/dbraw/zinc/33/92/56/350339256.db2.gz RCHOTDXTPMOYCT-JTQLQIEISA-N 0 3 207.292 3.155 20 0 BGADHN CCCN1CCc2cc(F)ccc2[C@H]1C ZINC000606450204 350339117 /nfs/dbraw/zinc/33/91/17/350339117.db2.gz RCHOTDXTPMOYCT-SNVBAGLBSA-N 0 3 207.292 3.155 20 0 BGADHN CC(C)CN1CCc2cccc(F)c2[C@H]1C ZINC000606450847 350339341 /nfs/dbraw/zinc/33/93/41/350339341.db2.gz UHQPJSWWDJQECQ-LLVKDONJSA-N 0 3 221.319 3.401 20 0 BGADHN CC(C)CN1CCc2cccc(F)c2[C@@H]1C ZINC000606450848 350339198 /nfs/dbraw/zinc/33/91/98/350339198.db2.gz UHQPJSWWDJQECQ-NSHDSACASA-N 0 3 221.319 3.401 20 0 BGADHN CCCN1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000606451579 350339502 /nfs/dbraw/zinc/33/95/02/350339502.db2.gz VIIWGXQUZHHAAT-CYBMUJFWSA-N 0 3 249.329 3.130 20 0 BGADHN CCCN1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000606451580 350339407 /nfs/dbraw/zinc/33/94/07/350339407.db2.gz VIIWGXQUZHHAAT-ZDUSSCGKSA-N 0 3 249.329 3.130 20 0 BGADHN CCc1ccc(CCN2CCSC[C@H]2C)cc1 ZINC000606451813 350339875 /nfs/dbraw/zinc/33/98/75/350339875.db2.gz YCMNYCCCFJAIJL-CYBMUJFWSA-N 0 3 249.423 3.229 20 0 BGADHN CCc1ccc(CCN2CCSC[C@@H]2C)cc1 ZINC000606451814 350340094 /nfs/dbraw/zinc/34/00/94/350340094.db2.gz YCMNYCCCFJAIJL-ZDUSSCGKSA-N 0 3 249.423 3.229 20 0 BGADHN CCn1ccnc1CNCC[C@@H]1CCCC[C@@H]1C ZINC000606470205 350341364 /nfs/dbraw/zinc/34/13/64/350341364.db2.gz PWDFFUSWRWZOPM-KBPBESRZSA-N 0 3 249.402 3.209 20 0 BGADHN CCn1ccnc1CNCC[C@@H]1CCCC[C@H]1C ZINC000606470206 350341332 /nfs/dbraw/zinc/34/13/32/350341332.db2.gz PWDFFUSWRWZOPM-KGLIPLIRSA-N 0 3 249.402 3.209 20 0 BGADHN CCn1ccnc1CNCC[C@H]1CCCC[C@@H]1C ZINC000606470207 350341497 /nfs/dbraw/zinc/34/14/97/350341497.db2.gz PWDFFUSWRWZOPM-UONOGXRCSA-N 0 3 249.402 3.209 20 0 BGADHN CCn1ccnc1CNCC[C@H]1CCCC[C@H]1C ZINC000606470208 350341668 /nfs/dbraw/zinc/34/16/68/350341668.db2.gz PWDFFUSWRWZOPM-ZIAGYGMSSA-N 0 3 249.402 3.209 20 0 BGADHN Cc1ccc2oc(CN[C@@H]3CCCOC3)cc2c1 ZINC000606911807 350628189 /nfs/dbraw/zinc/62/81/89/350628189.db2.gz JFPFIWHRYMYTIH-CYBMUJFWSA-N 0 3 245.322 3.010 20 0 BGADHN Cc1ccc2oc(CN[C@H]3CCCOC3)cc2c1 ZINC000606911808 350628019 /nfs/dbraw/zinc/62/80/19/350628019.db2.gz JFPFIWHRYMYTIH-ZDUSSCGKSA-N 0 3 245.322 3.010 20 0 BGADHN CC(C)CCN(CCC(F)(F)F)C1CC1 ZINC000607150650 351029344 /nfs/dbraw/zinc/02/93/44/351029344.db2.gz GEWBAFGCLLAURJ-UHFFFAOYSA-N 0 3 223.282 3.449 20 0 BGADHN FC(F)(F)CCN(C1CC1)C1CCCC1 ZINC000607150755 351029431 /nfs/dbraw/zinc/02/94/31/351029431.db2.gz LRPKIJWWIKZINW-UHFFFAOYSA-N 0 3 221.266 3.346 20 0 BGADHN CC(C)CCN(Cc1ccon1)C1CCCC1 ZINC000607151330 351029534 /nfs/dbraw/zinc/02/95/34/351029534.db2.gz DYRXTCQQSZWSDV-UHFFFAOYSA-N 0 3 236.359 3.465 20 0 BGADHN C[C@@H]1C[C@@H](C)N(Cc2cccc(F)c2F)C1 ZINC000607155393 351032122 /nfs/dbraw/zinc/03/21/22/351032122.db2.gz SRBWYVQYJZPZBC-NXEZZACHSA-N 0 3 225.282 3.195 20 0 BGADHN C[C@H]1C[C@H](C)N(Cc2cccc(F)c2F)C1 ZINC000607155394 351032028 /nfs/dbraw/zinc/03/20/28/351032028.db2.gz SRBWYVQYJZPZBC-UWVGGRQHSA-N 0 3 225.282 3.195 20 0 BGADHN C[C@@H]1C[C@H](C)CN1Cc1cccc(F)c1F ZINC000607155395 351032037 /nfs/dbraw/zinc/03/20/37/351032037.db2.gz SRBWYVQYJZPZBC-VHSXEESVSA-N 0 3 225.282 3.195 20 0 BGADHN C[C@@H]1C[C@H](C)N(Cc2cccc(F)c2F)C1 ZINC000607155396 351032111 /nfs/dbraw/zinc/03/21/11/351032111.db2.gz SRBWYVQYJZPZBC-ZJUUUORDSA-N 0 3 225.282 3.195 20 0 BGADHN C[C@@H]1C[C@@H](C)N(Cc2ccc(F)c(F)c2)C1 ZINC000607155673 351033091 /nfs/dbraw/zinc/03/30/91/351033091.db2.gz XWJOXXUWFXSNCP-NXEZZACHSA-N 0 3 225.282 3.195 20 0 BGADHN C[C@H]1C[C@H](C)N(Cc2ccc(F)c(F)c2)C1 ZINC000607155674 351033006 /nfs/dbraw/zinc/03/30/06/351033006.db2.gz XWJOXXUWFXSNCP-UWVGGRQHSA-N 0 3 225.282 3.195 20 0 BGADHN C[C@@H]1C[C@H](C)CN1Cc1ccc(F)c(F)c1 ZINC000607155675 351032547 /nfs/dbraw/zinc/03/25/47/351032547.db2.gz XWJOXXUWFXSNCP-VHSXEESVSA-N 0 3 225.282 3.195 20 0 BGADHN C[C@@H]1C[C@H](C)N(Cc2ccc(F)c(F)c2)C1 ZINC000607155676 351032924 /nfs/dbraw/zinc/03/29/24/351032924.db2.gz XWJOXXUWFXSNCP-ZJUUUORDSA-N 0 3 225.282 3.195 20 0 BGADHN CC1(C)C[C@@H]1NCc1nccc2ccccc21 ZINC000607166269 487554396 /nfs/dbraw/zinc/55/43/96/487554396.db2.gz CGYPXBKNTVBHTE-AWEZNQCLSA-N 0 3 226.323 3.123 20 0 BGADHN CC1(C)C[C@H]1NCc1nccc2ccccc21 ZINC000607166270 487554196 /nfs/dbraw/zinc/55/41/96/487554196.db2.gz CGYPXBKNTVBHTE-CQSZACIVSA-N 0 3 226.323 3.123 20 0 BGADHN CCc1ccc(CN(C)CCOCC2CC2)cc1 ZINC000607725178 342782021 /nfs/dbraw/zinc/78/20/21/342782021.db2.gz STVTUDCUCBQBIA-UHFFFAOYSA-N 0 3 247.382 3.107 20 0 BGADHN c1ccc2c(c1)CN(CCC1CCCC1)CCO2 ZINC000607727154 342782417 /nfs/dbraw/zinc/78/24/17/342782417.db2.gz JLAGMBSBGXICPB-UHFFFAOYSA-N 0 3 245.366 3.461 20 0 BGADHN CC(C)C[C@H]1COCCN1CCC1CCCC1 ZINC000607732231 342783434 /nfs/dbraw/zinc/78/34/34/342783434.db2.gz AMOHCXOMCIUHFX-HNNXBMFYSA-N 0 3 239.403 3.314 20 0 BGADHN CC(C)C[C@@H]1COCCN1CCC1CCCC1 ZINC000607732232 342783501 /nfs/dbraw/zinc/78/35/01/342783501.db2.gz AMOHCXOMCIUHFX-OAHLLOKOSA-N 0 3 239.403 3.314 20 0 BGADHN CC1(C)[C@@H]2CN(Cc3cccc(Cl)c3)C[C@@H]21 ZINC000607752757 342789280 /nfs/dbraw/zinc/78/92/80/342789280.db2.gz BTHVXCQASRNKJV-BETUJISGSA-N 0 3 235.758 3.428 20 0 BGADHN C[C@H](c1ccccc1F)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000607753187 342788558 /nfs/dbraw/zinc/78/85/58/342788558.db2.gz GRMGXPBZLMXUEI-RTXFEEFZSA-N 0 3 233.330 3.475 20 0 BGADHN C[C@@H](c1ccccc1F)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000607753188 342788585 /nfs/dbraw/zinc/78/85/85/342788585.db2.gz GRMGXPBZLMXUEI-WCFLWFBJSA-N 0 3 233.330 3.475 20 0 BGADHN CC1(C)[C@@H]2CN(Cc3ccc(Cl)cc3)C[C@@H]21 ZINC000607753229 342788729 /nfs/dbraw/zinc/78/87/29/342788729.db2.gz NMTPBPXLBLTOKR-BETUJISGSA-N 0 3 235.758 3.428 20 0 BGADHN CC(C)c1cc(CNC2CCC(C)CC2)on1 ZINC000608057470 411497698 /nfs/dbraw/zinc/49/76/98/411497698.db2.gz WUISTLUAKUSTDP-UHFFFAOYSA-N 0 3 236.359 3.466 20 0 BGADHN CC[C@H](NCc1cccnc1C)c1ccncc1 ZINC000608058228 411498812 /nfs/dbraw/zinc/49/88/12/411498812.db2.gz GRALAQRWAZTCNP-HNNXBMFYSA-N 0 3 241.338 3.026 20 0 BGADHN CC[C@@H](NCc1cccnc1C)c1ccncc1 ZINC000608058234 411498667 /nfs/dbraw/zinc/49/86/67/411498667.db2.gz GRALAQRWAZTCNP-OAHLLOKOSA-N 0 3 241.338 3.026 20 0 BGADHN Cc1cc(CNCc2cccnc2C)c(C)s1 ZINC000608058266 411499293 /nfs/dbraw/zinc/49/92/93/411499293.db2.gz FVIWFROZNMKCHN-UHFFFAOYSA-N 0 3 246.379 3.358 20 0 BGADHN CC(C)(C)CNCc1coc(-c2ccccc2)n1 ZINC000608060588 352658235 /nfs/dbraw/zinc/65/82/35/352658235.db2.gz JVKOHAUVZPOOJG-UHFFFAOYSA-N 0 3 244.338 3.477 20 0 BGADHN c1n[nH]cc1CN[C@@H](CC1CC1)c1ccccc1 ZINC000608063944 352662880 /nfs/dbraw/zinc/66/28/80/352662880.db2.gz NHVGZFZSRKVIMB-HNNXBMFYSA-N 0 3 241.338 3.041 20 0 BGADHN c1n[nH]cc1CN[C@H](CC1CC1)c1ccccc1 ZINC000608063946 352662836 /nfs/dbraw/zinc/66/28/36/352662836.db2.gz NHVGZFZSRKVIMB-OAHLLOKOSA-N 0 3 241.338 3.041 20 0 BGADHN Cc1ccc2oc(CN[C@@H]3CCSC3)cc2c1 ZINC000608065906 352664811 /nfs/dbraw/zinc/66/48/11/352664811.db2.gz DTWPTEGFVGXLKR-GFCCVEGCSA-N 0 3 247.363 3.336 20 0 BGADHN Cc1ccc2oc(CN[C@H]3CCSC3)cc2c1 ZINC000608065907 352664788 /nfs/dbraw/zinc/66/47/88/352664788.db2.gz DTWPTEGFVGXLKR-LBPRGKRZSA-N 0 3 247.363 3.336 20 0 BGADHN CCc1cnc(CN(CC(C)C)CC(C)C)o1 ZINC000608492188 355808797 /nfs/dbraw/zinc/80/87/97/355808797.db2.gz XXTYENCRGUVOPY-UHFFFAOYSA-N 0 3 238.375 3.351 20 0 BGADHN CCc1cnc(CN(CC)C2CCCCC2)o1 ZINC000608492524 355809074 /nfs/dbraw/zinc/80/90/74/355809074.db2.gz OKDABEXSOGAULP-UHFFFAOYSA-N 0 3 236.359 3.392 20 0 BGADHN Cc1ccc(CN(CCC2CC2)C2CC2)o1 ZINC000608492647 355817788 /nfs/dbraw/zinc/81/77/88/355817788.db2.gz CNXITYFVIRXJDU-UHFFFAOYSA-N 0 3 219.328 3.353 20 0 BGADHN Cc1ccc(CN(CC2CCC2)C2CC2)o1 ZINC000608492703 355818077 /nfs/dbraw/zinc/81/80/77/355818077.db2.gz YLJZLLNYERUUOC-UHFFFAOYSA-N 0 3 219.328 3.353 20 0 BGADHN CCc1cnc(CN2CCC[C@H]2C2CCCC2)o1 ZINC000608493091 355818339 /nfs/dbraw/zinc/81/83/39/355818339.db2.gz CONYLPLAMDPZBZ-AWEZNQCLSA-N 0 3 248.370 3.392 20 0 BGADHN CCc1cnc(CN2CCC[C@@H]2C2CCCC2)o1 ZINC000608493092 355818907 /nfs/dbraw/zinc/81/89/07/355818907.db2.gz CONYLPLAMDPZBZ-CQSZACIVSA-N 0 3 248.370 3.392 20 0 BGADHN Cc1noc(C)c1CN1C2CCCC1CCC2 ZINC000608498935 355827387 /nfs/dbraw/zinc/82/73/87/355827387.db2.gz LEEBMWJKOMYGHK-UHFFFAOYSA-N 0 3 234.343 3.198 20 0 BGADHN FC(F)(F)CCN1C2CCCC1CCC2 ZINC000608499646 355827962 /nfs/dbraw/zinc/82/79/62/355827962.db2.gz TYLFDFORHZMLNQ-UHFFFAOYSA-N 0 3 221.266 3.346 20 0 BGADHN Cc1ncc(CN2C3CCCC2CCC3)s1 ZINC000608499676 355827791 /nfs/dbraw/zinc/82/77/91/355827791.db2.gz VEMNFOLYPZIIFA-UHFFFAOYSA-N 0 3 236.384 3.359 20 0 BGADHN c1ccc(CN2CCC(C3CCCC3)CC2)nc1 ZINC000608501796 355829276 /nfs/dbraw/zinc/82/92/76/355829276.db2.gz IWWAYPHRDFFTAO-UHFFFAOYSA-N 0 3 244.382 3.484 20 0 BGADHN c1cncc(CN2CCC(C3CCCC3)CC2)c1 ZINC000608502099 355829176 /nfs/dbraw/zinc/82/91/76/355829176.db2.gz RHWJEUUQLJYWIJ-UHFFFAOYSA-N 0 3 244.382 3.484 20 0 BGADHN C[C@@H]1CN(Cc2ccc(F)cc2)C[C@@H](C)S1 ZINC000608502848 355830323 /nfs/dbraw/zinc/83/03/23/355830323.db2.gz ZMSUGIATIRBTRG-GHMZBOCLSA-N 0 3 239.359 3.152 20 0 BGADHN C[C@@H]1CN(Cc2ccc(F)cc2)C[C@H](C)S1 ZINC000608502857 355829809 /nfs/dbraw/zinc/82/98/09/355829809.db2.gz ZMSUGIATIRBTRG-PHIMTYICSA-N 0 3 239.359 3.152 20 0 BGADHN C[C@H]1CN(Cc2ccc(F)cc2)C[C@H](C)S1 ZINC000608502858 355829798 /nfs/dbraw/zinc/82/97/98/355829798.db2.gz ZMSUGIATIRBTRG-QWRGUYRKSA-N 0 3 239.359 3.152 20 0 BGADHN Cc1ccc2nc(CNCC(C)(C)C)[nH]c2c1 ZINC000608579416 355865974 /nfs/dbraw/zinc/86/59/74/355865974.db2.gz KQOSDKBDXIODRF-UHFFFAOYSA-N 0 3 231.343 3.007 20 0 BGADHN Cc1ccc2[nH]c(CNCC(C)(C)C)nc2c1 ZINC000608579416 355865970 /nfs/dbraw/zinc/86/59/70/355865970.db2.gz KQOSDKBDXIODRF-UHFFFAOYSA-N 0 3 231.343 3.007 20 0 BGADHN CCc1nc(CN2C[C@@H](C)C[C@H]2CC)cs1 ZINC000608752320 355966884 /nfs/dbraw/zinc/96/68/84/355966884.db2.gz AOUZBIBVZQKBIO-CMPLNLGQSA-N 0 3 238.400 3.326 20 0 BGADHN CCc1nc(CN2C[C@H](C)C[C@H]2CC)cs1 ZINC000608752321 355966112 /nfs/dbraw/zinc/96/61/12/355966112.db2.gz AOUZBIBVZQKBIO-ZYHUDNBSSA-N 0 3 238.400 3.326 20 0 BGADHN CC[C@H]1C[C@@H](C)CN1Cc1noc2c1CCCC2 ZINC000608752389 355966142 /nfs/dbraw/zinc/96/61/42/355966142.db2.gz CQLBTUJILXNTLA-NEPJUHHUSA-N 0 3 248.370 3.174 20 0 BGADHN CC[C@@H]1C[C@H](C)CN1Cc1noc2c1CCCC2 ZINC000608752390 355966874 /nfs/dbraw/zinc/96/68/74/355966874.db2.gz CQLBTUJILXNTLA-NWDGAFQWSA-N 0 3 248.370 3.174 20 0 BGADHN CC[C@H]1C[C@H](C)CN1Cc1noc2c1CCCC2 ZINC000608752391 355966570 /nfs/dbraw/zinc/96/65/70/355966570.db2.gz CQLBTUJILXNTLA-RYUDHWBXSA-N 0 3 248.370 3.174 20 0 BGADHN CC[C@@H]1C[C@@H](C)CN1Cc1noc2c1CCCC2 ZINC000608752392 355966299 /nfs/dbraw/zinc/96/62/99/355966299.db2.gz CQLBTUJILXNTLA-VXGBXAGGSA-N 0 3 248.370 3.174 20 0 BGADHN Cc1cccc(CN2C3CCCC2CCC3)n1 ZINC000608757066 355976066 /nfs/dbraw/zinc/97/60/66/355976066.db2.gz JAUZZJWMQNUIBF-UHFFFAOYSA-N 0 3 230.355 3.297 20 0 BGADHN CSCCN1CCc2cc(F)ccc2[C@@H]1C ZINC000610013236 356691162 /nfs/dbraw/zinc/69/11/62/356691162.db2.gz XKOMHLBSVVZWNL-JTQLQIEISA-N 0 3 239.359 3.108 20 0 BGADHN CSCCN1CCc2cc(F)ccc2[C@H]1C ZINC000610013237 356691240 /nfs/dbraw/zinc/69/12/40/356691240.db2.gz XKOMHLBSVVZWNL-SNVBAGLBSA-N 0 3 239.359 3.108 20 0 BGADHN CCSCCN1CCCc2sccc2C1 ZINC000610213173 357282511 /nfs/dbraw/zinc/28/25/11/357282511.db2.gz CJQBTUAKYKCXQG-UHFFFAOYSA-N 0 3 241.425 3.249 20 0 BGADHN CCSCCN(CC)CCC(F)(F)F ZINC000610215481 357277580 /nfs/dbraw/zinc/27/75/80/357277580.db2.gz AEUWBVQNPFNUOO-UHFFFAOYSA-N 0 3 229.311 3.014 20 0 BGADHN CSCCCN(Cc1ccc(C)o1)C1CC1 ZINC000610367742 357802987 /nfs/dbraw/zinc/80/29/87/357802987.db2.gz OIXHVDNEULBYMT-UHFFFAOYSA-N 0 3 239.384 3.306 20 0 BGADHN CSCCCN1CC[C@@H]1c1cccc(F)c1 ZINC000610504863 357958315 /nfs/dbraw/zinc/95/83/15/357958315.db2.gz DDNRMGRWSQYACL-CYBMUJFWSA-N 0 3 239.359 3.326 20 0 BGADHN CSCCCN1CC[C@H]1c1cccc(F)c1 ZINC000610504864 357958349 /nfs/dbraw/zinc/95/83/49/357958349.db2.gz DDNRMGRWSQYACL-ZDUSSCGKSA-N 0 3 239.359 3.326 20 0 BGADHN CSCCCN(C)Cc1cc2ccccc2[nH]1 ZINC000610619765 358025434 /nfs/dbraw/zinc/02/54/34/358025434.db2.gz VGJKIVDXIQRPBA-UHFFFAOYSA-N 0 3 248.395 3.353 20 0 BGADHN CSCCN[C@H](C)c1ccc2ccccc2n1 ZINC000610797196 358178562 /nfs/dbraw/zinc/17/85/62/358178562.db2.gz KKGALWNXZAKAPA-LLVKDONJSA-N 0 3 246.379 3.248 20 0 BGADHN CSCCN[C@@H](C)c1ccc2ccccc2n1 ZINC000610797197 358178146 /nfs/dbraw/zinc/17/81/46/358178146.db2.gz KKGALWNXZAKAPA-NSHDSACASA-N 0 3 246.379 3.248 20 0 BGADHN CN(C)CCSCCC1CCCCC1 ZINC000611131975 358836941 /nfs/dbraw/zinc/83/69/41/358836941.db2.gz YPWMHBLXDBSOHD-UHFFFAOYSA-N 0 3 215.406 3.252 20 0 BGADHN CCOC(=O)CN(CC(CC)CC)C(C)(C)C ZINC000611254925 359275088 /nfs/dbraw/zinc/27/50/88/359275088.db2.gz NFZBUUHNQRXDCE-UHFFFAOYSA-N 0 3 243.391 3.086 20 0 BGADHN CC(C)CSCCCN1CC[C@@H](C)[C@H](F)C1 ZINC000611502442 359385024 /nfs/dbraw/zinc/38/50/24/359385024.db2.gz SJQCUAPMDIVZNX-CHWSQXEVSA-N 0 3 247.423 3.446 20 0 BGADHN CC(C)CSCCCN1CC[C@@H](C)[C@@H](F)C1 ZINC000611502443 359384972 /nfs/dbraw/zinc/38/49/72/359384972.db2.gz SJQCUAPMDIVZNX-OLZOCXBDSA-N 0 3 247.423 3.446 20 0 BGADHN CC(C)CSCCCN1CC[C@H](C)[C@H](F)C1 ZINC000611502444 359384452 /nfs/dbraw/zinc/38/44/52/359384452.db2.gz SJQCUAPMDIVZNX-QWHCGFSZSA-N 0 3 247.423 3.446 20 0 BGADHN CC(C)CSCCCN1CC[C@H](C)[C@@H](F)C1 ZINC000611502445 359385329 /nfs/dbraw/zinc/38/53/29/359385329.db2.gz SJQCUAPMDIVZNX-STQMWFEESA-N 0 3 247.423 3.446 20 0 BGADHN CCCCCN(CCCCC)CC(C)=O ZINC000612913079 360183619 /nfs/dbraw/zinc/18/36/19/360183619.db2.gz HRIUVAYTRJVMPY-UHFFFAOYSA-N 0 3 213.365 3.258 20 0 BGADHN CSCCNc1c(C)cnc2c(C)cccc21 ZINC000613176493 360481492 /nfs/dbraw/zinc/48/14/92/360481492.db2.gz SIMARGMNCKFHQG-UHFFFAOYSA-N 0 3 246.379 3.048 20 0 BGADHN Cc1cccn2cc(CN(C)[C@H](C)C(C)C)nc12 ZINC000613391155 363163270 /nfs/dbraw/zinc/16/32/70/363163270.db2.gz SYRYLTIMYVWRPR-CYBMUJFWSA-N 0 3 245.370 3.119 20 0 BGADHN Cc1cccn2cc(CN(C)[C@@H](C)C(C)C)nc12 ZINC000613391156 363162797 /nfs/dbraw/zinc/16/27/97/363162797.db2.gz SYRYLTIMYVWRPR-ZDUSSCGKSA-N 0 3 245.370 3.119 20 0 BGADHN CC(C)CCN(C)Cc1ccc(F)c(F)c1 ZINC000613409698 363187559 /nfs/dbraw/zinc/18/75/59/363187559.db2.gz GSGULLKFHRAEDV-UHFFFAOYSA-N 0 3 227.298 3.443 20 0 BGADHN Cc1cc(CN2CC[C@H](C)[C@@H]3CCCC[C@@H]32)no1 ZINC000613416326 363192031 /nfs/dbraw/zinc/19/20/31/363192031.db2.gz SUYGRLLEFFPCTR-CQDKDKBSSA-N 0 3 248.370 3.384 20 0 BGADHN Cc1cc(CN2CC[C@H](C)[C@H]3CCCC[C@H]32)no1 ZINC000613416347 363191740 /nfs/dbraw/zinc/19/17/40/363191740.db2.gz SUYGRLLEFFPCTR-NILFDRSVSA-N 0 3 248.370 3.384 20 0 BGADHN Cc1cc(CN2CC[C@H](C)[C@@H]3CCCC[C@H]32)no1 ZINC000613416349 363191348 /nfs/dbraw/zinc/19/13/48/363191348.db2.gz SUYGRLLEFFPCTR-TUKIKUTGSA-N 0 3 248.370 3.384 20 0 BGADHN CCCCN(Cc1ccccc1OC)C1CC1 ZINC000613486298 363455184 /nfs/dbraw/zinc/45/51/84/363455184.db2.gz YUZDKVXNAMPZKG-UHFFFAOYSA-N 0 3 233.355 3.460 20 0 BGADHN CCC1CCN(Cc2ccccc2F)CC1 ZINC000613503070 363465985 /nfs/dbraw/zinc/46/59/85/363465985.db2.gz JEQWBCHSYGGDRB-UHFFFAOYSA-N 0 3 221.319 3.448 20 0 BGADHN CC(C)=CCN(C)Cc1cccc(C)c1 ZINC000613506957 363467365 /nfs/dbraw/zinc/46/73/65/363467365.db2.gz WECCMLZPOCIJKD-UHFFFAOYSA-N 0 3 203.329 3.393 20 0 BGADHN c1ccc2c(c1)CN(CC1CCCC1)CCO2 ZINC000613564681 363493053 /nfs/dbraw/zinc/49/30/53/363493053.db2.gz HXLUKAIECOSMLH-UHFFFAOYSA-N 0 3 231.339 3.071 20 0 BGADHN Cc1ncc(CN(C2CC2)C2CCCCC2)cn1 ZINC000613631410 363548215 /nfs/dbraw/zinc/54/82/15/363548215.db2.gz IFKUMENPDCORAL-UHFFFAOYSA-N 0 3 245.370 3.082 20 0 BGADHN c1ccc2oc(CNCCC3CCCC3)nc2c1 ZINC000613748352 363633676 /nfs/dbraw/zinc/63/36/76/363633676.db2.gz GSFNDOQAMDJDIT-UHFFFAOYSA-N 0 3 244.338 3.498 20 0 BGADHN COc1ccc(F)cc1CN(C)CCC(C)C ZINC000613877832 363676247 /nfs/dbraw/zinc/67/62/47/363676247.db2.gz JXKPOQCONORUEK-UHFFFAOYSA-N 0 3 239.334 3.312 20 0 BGADHN Cc1ccccc1CN(C)CCOCCC(C)C ZINC000615340095 364699987 /nfs/dbraw/zinc/69/99/87/364699987.db2.gz VGSCKAFOJAQRNI-UHFFFAOYSA-N 0 3 249.398 3.490 20 0 BGADHN CCCCOCCN(C)Cc1ccc(CC)cc1 ZINC000615453981 367903494 /nfs/dbraw/zinc/90/34/94/367903494.db2.gz JUILYIPKSWWAGF-UHFFFAOYSA-N 0 3 249.398 3.498 20 0 BGADHN Cc1ccc(CN(C)CCOCCC(C)C)cc1 ZINC000615454342 367904348 /nfs/dbraw/zinc/90/43/48/367904348.db2.gz QAYMNEALHKUBHD-UHFFFAOYSA-N 0 3 249.398 3.490 20 0 BGADHN CC(C)CCOCCN(C)CCc1ccccc1 ZINC000615456378 367910991 /nfs/dbraw/zinc/91/09/91/367910991.db2.gz GWIRIDIPRWJXHF-UHFFFAOYSA-N 0 3 249.398 3.224 20 0 BGADHN CCN1CC[C@H](c2ccccc2Cl)C1 ZINC000616610192 350808697 /nfs/dbraw/zinc/80/86/97/350808697.db2.gz JNJWCMMCPCBFKI-JTQLQIEISA-N 0 3 209.720 3.149 20 0 BGADHN CCN1CC[C@@H](c2ccccc2Cl)C1 ZINC000616613041 344513574 /nfs/dbraw/zinc/51/35/74/344513574.db2.gz JNJWCMMCPCBFKI-SNVBAGLBSA-N 0 3 209.720 3.149 20 0 BGADHN FC(F)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000616618248 350884340 /nfs/dbraw/zinc/88/43/40/350884340.db2.gz KKSQEWCVRJNTKW-GFCCVEGCSA-N 0 3 225.282 3.164 20 0 BGADHN FC(F)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000616618715 343522674 /nfs/dbraw/zinc/52/26/74/343522674.db2.gz KKSQEWCVRJNTKW-LBPRGKRZSA-N 0 3 225.282 3.164 20 0 BGADHN c1cc(C2CCN(Cc3ccccc3)CC2)no1 ZINC000616621313 351027347 /nfs/dbraw/zinc/02/73/47/351027347.db2.gz OCBVWMTVFWTNDB-UHFFFAOYSA-N 0 3 242.322 3.054 20 0 BGADHN c1ccc(CSCCN2CC=CCC2)cc1 ZINC000619166628 369301367 /nfs/dbraw/zinc/30/13/67/369301367.db2.gz KJDFQJIOSCZHLE-UHFFFAOYSA-N 0 3 233.380 3.182 20 0 BGADHN C1=CCN(CCSC2CCCCC2)CC1 ZINC000619720657 369551016 /nfs/dbraw/zinc/55/10/16/369551016.db2.gz OYMYIJVNRSKFNQ-UHFFFAOYSA-N 0 3 225.401 3.314 20 0 BGADHN Cc1occc1CNCc1cc(C)ccc1C ZINC000619766459 369582657 /nfs/dbraw/zinc/58/26/57/369582657.db2.gz JVMUMUFUDLOCNO-UHFFFAOYSA-N 0 3 229.323 3.495 20 0 BGADHN CC(C)SCCN(C)Cc1ccsc1 ZINC000619779227 364423623 /nfs/dbraw/zinc/42/36/23/364423623.db2.gz DUYIRNWPUAXFQV-UHFFFAOYSA-N 0 3 229.414 3.322 20 0 BGADHN CCN(CCSC(C)C)Cc1ccoc1 ZINC000619779272 369584989 /nfs/dbraw/zinc/58/49/89/369584989.db2.gz BIWCFDLPXMSQPM-UHFFFAOYSA-N 0 3 227.373 3.243 20 0 BGADHN CCN(CCSC(C)C)CCC(F)(F)F ZINC000619779326 364424266 /nfs/dbraw/zinc/42/42/66/364424266.db2.gz WUWNDWJSUAPMSJ-UHFFFAOYSA-N 0 3 243.338 3.402 20 0 BGADHN CC(C)SCCN1CC(C)(C)OCC1(C)C ZINC000619779433 369584614 /nfs/dbraw/zinc/58/46/14/369584614.db2.gz DHXWUHQRLLUEBN-UHFFFAOYSA-N 0 3 245.432 3.017 20 0 BGADHN CCn1ccc(CN(C)CCSC(C)C)c1 ZINC000619781843 488050437 /nfs/dbraw/zinc/05/04/37/488050437.db2.gz XWJCYTDYFZMQKM-UHFFFAOYSA-N 0 3 240.416 3.081 20 0 BGADHN CC(C)c1ccc(CN(C)CCO)c(C(C)C)c1 ZINC000620109174 369736650 /nfs/dbraw/zinc/73/66/50/369736650.db2.gz QDUHMZWWOQUKRX-UHFFFAOYSA-N 0 3 249.398 3.358 20 0 BGADHN CC(C)CCN1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000620127491 369740962 /nfs/dbraw/zinc/74/09/62/369740962.db2.gz GZVZUKDEYFYDIH-GDBMZVCRSA-N 0 3 247.382 3.495 20 0 BGADHN CC(C)CCN1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000620127492 369740439 /nfs/dbraw/zinc/74/04/39/369740439.db2.gz GZVZUKDEYFYDIH-GOEBONIOSA-N 0 3 247.382 3.495 20 0 BGADHN CC(C)CCN1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000620127493 369740617 /nfs/dbraw/zinc/74/06/17/369740617.db2.gz GZVZUKDEYFYDIH-HOCLYGCPSA-N 0 3 247.382 3.495 20 0 BGADHN CC(C)CCN1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000620127494 369740540 /nfs/dbraw/zinc/74/05/40/369740540.db2.gz GZVZUKDEYFYDIH-ZBFHGGJFSA-N 0 3 247.382 3.495 20 0 BGADHN Cc1cc(C)c(CN2C[C@H](C)O[C@@H](C)C2)c(C)c1 ZINC000620341759 369846386 /nfs/dbraw/zinc/84/63/86/369846386.db2.gz DBUCRKAXWGHYLD-GJZGRUSLSA-N 0 3 247.382 3.221 20 0 BGADHN CCCCN(CC)Cc1cncc(Cl)c1 ZINC000621243802 370176421 /nfs/dbraw/zinc/17/64/21/370176421.db2.gz QPQPHDAPVOJEFQ-UHFFFAOYSA-N 0 3 226.751 3.357 20 0 BGADHN CCCN(Cc1cncc(Cl)c1)CC1CC1 ZINC000621243955 370176907 /nfs/dbraw/zinc/17/69/07/370176907.db2.gz XRHBCIBZHKDMJO-UHFFFAOYSA-N 0 3 238.762 3.357 20 0 BGADHN CN(Cc1cncc(Cl)c1)C1CCCC1 ZINC000621244995 370179099 /nfs/dbraw/zinc/17/90/99/370179099.db2.gz JYTFCWHTNUMAHG-UHFFFAOYSA-N 0 3 224.735 3.109 20 0 BGADHN CC(C)[C@H](C)N(C)Cc1cncc(Cl)c1 ZINC000621245411 370180440 /nfs/dbraw/zinc/18/04/40/370180440.db2.gz CLSRYIXMGRGMTK-JTQLQIEISA-N 0 3 226.751 3.211 20 0 BGADHN CC(C)[C@@H](C)N(C)Cc1cncc(Cl)c1 ZINC000621245412 370180212 /nfs/dbraw/zinc/18/02/12/370180212.db2.gz CLSRYIXMGRGMTK-SNVBAGLBSA-N 0 3 226.751 3.211 20 0 BGADHN CN(Cc1cncc(Cl)c1)C1CCCCC1 ZINC000621245525 370179872 /nfs/dbraw/zinc/17/98/72/370179872.db2.gz JDJFOCYEOCGLEQ-UHFFFAOYSA-N 0 3 238.762 3.500 20 0 BGADHN CC(C)CN(Cc1cncc(Cl)c1)C1CC1 ZINC000621246444 370181613 /nfs/dbraw/zinc/18/16/13/370181613.db2.gz BEFZUTACTSFZJP-UHFFFAOYSA-N 0 3 238.762 3.355 20 0 BGADHN CCN(Cc1cncc(Cl)c1)CC(C)C ZINC000621246614 370181683 /nfs/dbraw/zinc/18/16/83/370181683.db2.gz KXMXDHBRRACBJT-UHFFFAOYSA-N 0 3 226.751 3.213 20 0 BGADHN CCC[C@H](C)N(C)Cc1cncc(Cl)c1 ZINC000621246652 370182015 /nfs/dbraw/zinc/18/20/15/370182015.db2.gz MJVHTXDUWCAGAR-JTQLQIEISA-N 0 3 226.751 3.355 20 0 BGADHN CCC[C@@H](C)N(C)Cc1cncc(Cl)c1 ZINC000621246653 370181492 /nfs/dbraw/zinc/18/14/92/370181492.db2.gz MJVHTXDUWCAGAR-SNVBAGLBSA-N 0 3 226.751 3.355 20 0 BGADHN CCCN(CCC)Cc1cncc(Cl)c1 ZINC000621246954 370181863 /nfs/dbraw/zinc/18/18/63/370181863.db2.gz AKLHKPWHGHXKMJ-UHFFFAOYSA-N 0 3 226.751 3.357 20 0 BGADHN CC(C)N(Cc1cncc(Cl)c1)C1CC1 ZINC000621247234 370181721 /nfs/dbraw/zinc/18/17/21/370181721.db2.gz MFEHYQKGINLQAS-UHFFFAOYSA-N 0 3 224.735 3.108 20 0 BGADHN CCCCN(Cc1cncc(Cl)c1)C1CC1 ZINC000621247338 370181269 /nfs/dbraw/zinc/18/12/69/370181269.db2.gz PWISYBFGTFSUGV-UHFFFAOYSA-N 0 3 238.762 3.500 20 0 BGADHN Cc1cc(CN(CCC(C)C)C2CC2)ccn1 ZINC000621247572 370181888 /nfs/dbraw/zinc/18/18/88/370181888.db2.gz ZBHSNMOKMWZDOY-UHFFFAOYSA-N 0 3 232.371 3.401 20 0 BGADHN CCN(Cc1cncc(Cl)c1)C1CCCC1 ZINC000621247882 370181417 /nfs/dbraw/zinc/18/14/17/370181417.db2.gz MFJDCASTFLXVQX-UHFFFAOYSA-N 0 3 238.762 3.500 20 0 BGADHN CC(C)CCN(C)Cc1cncc(Cl)c1 ZINC000621248694 370182851 /nfs/dbraw/zinc/18/28/51/370182851.db2.gz UZTYWLVUAXWJSU-UHFFFAOYSA-N 0 3 226.751 3.213 20 0 BGADHN CC(C)[C@H]1CCCN1Cc1cncc(Cl)c1 ZINC000621250797 370183903 /nfs/dbraw/zinc/18/39/03/370183903.db2.gz RCQVJORKVJPVSY-CYBMUJFWSA-N 0 3 238.762 3.355 20 0 BGADHN CC(C)[C@@H]1CCCN1Cc1cncc(Cl)c1 ZINC000621250798 370184066 /nfs/dbraw/zinc/18/40/66/370184066.db2.gz RCQVJORKVJPVSY-ZDUSSCGKSA-N 0 3 238.762 3.355 20 0 BGADHN CN(Cc1cncc(Cl)c1)CC1CCCC1 ZINC000621253216 370186971 /nfs/dbraw/zinc/18/69/71/370186971.db2.gz XMCQZAYDZXBGNK-UHFFFAOYSA-N 0 3 238.762 3.357 20 0 BGADHN CN(Cc1cncc(Cl)c1)CC(C)(C)C ZINC000621254046 370182898 /nfs/dbraw/zinc/18/28/98/370182898.db2.gz FGQHGDNYCLVTIG-UHFFFAOYSA-N 0 3 226.751 3.213 20 0 BGADHN CC[C@@H]1CCCN1Cc1cncc(Cl)c1 ZINC000621254502 350160610 /nfs/dbraw/zinc/16/06/10/350160610.db2.gz YRYRCFMXXJZCTG-GFCCVEGCSA-N 0 3 224.735 3.109 20 0 BGADHN CC[C@H]1CCCN1Cc1cncc(Cl)c1 ZINC000621254503 350160358 /nfs/dbraw/zinc/16/03/58/350160358.db2.gz YRYRCFMXXJZCTG-LBPRGKRZSA-N 0 3 224.735 3.109 20 0 BGADHN CCCN(Cc1cncc(Cl)c1)C1CC1 ZINC000621254729 370188426 /nfs/dbraw/zinc/18/84/26/370188426.db2.gz IEZZOKRGGULYJW-UHFFFAOYSA-N 0 3 224.735 3.109 20 0 BGADHN CC[C@H](C)CN(C)Cc1cncc(Cl)c1 ZINC000621257064 370189488 /nfs/dbraw/zinc/18/94/88/370189488.db2.gz FRWPSLVPDKNHOB-JTQLQIEISA-N 0 3 226.751 3.213 20 0 BGADHN CC[C@@H](C)CN(C)Cc1cncc(Cl)c1 ZINC000621257065 370190035 /nfs/dbraw/zinc/19/00/35/370190035.db2.gz FRWPSLVPDKNHOB-SNVBAGLBSA-N 0 3 226.751 3.213 20 0 BGADHN C[C@@H]1CCCCCN1Cc1cncc(Cl)c1 ZINC000621258087 370190995 /nfs/dbraw/zinc/19/09/95/370190995.db2.gz WYUVHNRGMJNOHL-LLVKDONJSA-N 0 3 238.762 3.500 20 0 BGADHN C[C@H]1CCCCCN1Cc1cncc(Cl)c1 ZINC000621258088 370189670 /nfs/dbraw/zinc/18/96/70/370189670.db2.gz WYUVHNRGMJNOHL-NSHDSACASA-N 0 3 238.762 3.500 20 0 BGADHN CCN(Cc1cncc(Cl)c1)C1CCC1 ZINC000621258325 370190634 /nfs/dbraw/zinc/19/06/34/370190634.db2.gz HAPUAQYCLBPWJR-UHFFFAOYSA-N 0 3 224.735 3.109 20 0 BGADHN Cc1cc(CN2C3CCCC2CCC3)ccn1 ZINC000621259886 370192443 /nfs/dbraw/zinc/19/24/43/370192443.db2.gz LDOWOGOKKROBLI-UHFFFAOYSA-N 0 3 230.355 3.297 20 0 BGADHN CC[C@H]1C[C@H](C)CN1Cc1cncc(Cl)c1 ZINC000621260395 370193913 /nfs/dbraw/zinc/19/39/13/370193913.db2.gz CMOPJRICAABPKP-GWCFXTLKSA-N 0 3 238.762 3.355 20 0 BGADHN CC[C@@H]1C[C@H](C)CN1Cc1cncc(Cl)c1 ZINC000621260396 370193348 /nfs/dbraw/zinc/19/33/48/370193348.db2.gz CMOPJRICAABPKP-GXFFZTMASA-N 0 3 238.762 3.355 20 0 BGADHN CC[C@H]1C[C@@H](C)CN1Cc1cncc(Cl)c1 ZINC000621260397 370193386 /nfs/dbraw/zinc/19/33/86/370193386.db2.gz CMOPJRICAABPKP-MFKMUULPSA-N 0 3 238.762 3.355 20 0 BGADHN CC[C@@H]1C[C@@H](C)CN1Cc1cncc(Cl)c1 ZINC000621260398 370193562 /nfs/dbraw/zinc/19/35/62/370193562.db2.gz CMOPJRICAABPKP-ZWNOBZJWSA-N 0 3 238.762 3.355 20 0 BGADHN CC(C)[C@@H]1CCN(Cc2cncc(Cl)c2)C1 ZINC000621262227 370194797 /nfs/dbraw/zinc/19/47/97/370194797.db2.gz SGROCULMNOHJIJ-GFCCVEGCSA-N 0 3 238.762 3.213 20 0 BGADHN CC(C)[C@H]1CCN(Cc2cncc(Cl)c2)C1 ZINC000621262228 370194647 /nfs/dbraw/zinc/19/46/47/370194647.db2.gz SGROCULMNOHJIJ-LBPRGKRZSA-N 0 3 238.762 3.213 20 0 BGADHN C[C@H](N(C)Cc1cncc(Cl)c1)C1(C)CC1 ZINC000621262333 370194734 /nfs/dbraw/zinc/19/47/34/370194734.db2.gz XQUYLQKPCXJZEE-JTQLQIEISA-N 0 3 238.762 3.355 20 0 BGADHN C[C@@H](N(C)Cc1cncc(Cl)c1)C1(C)CC1 ZINC000621262334 370194615 /nfs/dbraw/zinc/19/46/15/370194615.db2.gz XQUYLQKPCXJZEE-SNVBAGLBSA-N 0 3 238.762 3.355 20 0 BGADHN CC(C)N(Cc1cncc(Cl)c1)CC1CC1 ZINC000621264148 370197659 /nfs/dbraw/zinc/19/76/59/370197659.db2.gz UJWBENPIBWEOHT-UHFFFAOYSA-N 0 3 238.762 3.355 20 0 BGADHN CCC(C)(C)N(C)Cc1cncc(Cl)c1 ZINC000621266694 370198785 /nfs/dbraw/zinc/19/87/85/370198785.db2.gz WRVIPFLUGNKCDM-UHFFFAOYSA-N 0 3 226.751 3.355 20 0 BGADHN CC(C)N(Cc1cncc(Cl)c1)C1CCC1 ZINC000621267213 370198655 /nfs/dbraw/zinc/19/86/55/370198655.db2.gz RDFLWCVCDDETCT-UHFFFAOYSA-N 0 3 238.762 3.498 20 0 BGADHN Clc1cncc(CN2CCC3(CC3)CC2)c1 ZINC000621270526 370201183 /nfs/dbraw/zinc/20/11/83/370201183.db2.gz BFULFASMNSMXFW-UHFFFAOYSA-N 0 3 236.746 3.111 20 0 BGADHN CC[C@H]1CC[C@H](C)N1Cc1cncc(Cl)c1 ZINC000621272139 370203933 /nfs/dbraw/zinc/20/39/33/370203933.db2.gz DUTLXNVSBUZONB-GWCFXTLKSA-N 0 3 238.762 3.498 20 0 BGADHN CC[C@@H]1CC[C@H](C)N1Cc1cncc(Cl)c1 ZINC000621272140 370203548 /nfs/dbraw/zinc/20/35/48/370203548.db2.gz DUTLXNVSBUZONB-GXFFZTMASA-N 0 3 238.762 3.498 20 0 BGADHN CC[C@H]1CC[C@@H](C)N1Cc1cncc(Cl)c1 ZINC000621272141 370203973 /nfs/dbraw/zinc/20/39/73/370203973.db2.gz DUTLXNVSBUZONB-MFKMUULPSA-N 0 3 238.762 3.498 20 0 BGADHN CC[C@@H]1CC[C@@H](C)N1Cc1cncc(Cl)c1 ZINC000621272142 370204437 /nfs/dbraw/zinc/20/44/37/370204437.db2.gz DUTLXNVSBUZONB-ZWNOBZJWSA-N 0 3 238.762 3.498 20 0 BGADHN CC(C)N(Cc1cncc(Cl)c1)C(C)C ZINC000621272373 370204180 /nfs/dbraw/zinc/20/41/80/370204180.db2.gz OKUJXGAHLJWFBB-UHFFFAOYSA-N 0 3 226.751 3.354 20 0 BGADHN CCN(CCC1CC1)Cc1cncc(Cl)c1 ZINC000621279548 370210609 /nfs/dbraw/zinc/21/06/09/370210609.db2.gz XGTBYTDXMVVFLY-UHFFFAOYSA-N 0 3 238.762 3.357 20 0 BGADHN CC[C@H]1[C@@H](C)CCN1Cc1cncc(Cl)c1 ZINC000621279863 370210351 /nfs/dbraw/zinc/21/03/51/370210351.db2.gz DVHLIGNHKVCIPB-GWCFXTLKSA-N 0 3 238.762 3.355 20 0 BGADHN CC[C@@H]1[C@@H](C)CCN1Cc1cncc(Cl)c1 ZINC000621279864 350372281 /nfs/dbraw/zinc/37/22/81/350372281.db2.gz DVHLIGNHKVCIPB-GXFFZTMASA-N 0 3 238.762 3.355 20 0 BGADHN CC[C@H]1[C@H](C)CCN1Cc1cncc(Cl)c1 ZINC000621279865 350372198 /nfs/dbraw/zinc/37/21/98/350372198.db2.gz DVHLIGNHKVCIPB-MFKMUULPSA-N 0 3 238.762 3.355 20 0 BGADHN CC[C@@H]1[C@H](C)CCN1Cc1cncc(Cl)c1 ZINC000621279866 350372248 /nfs/dbraw/zinc/37/22/48/350372248.db2.gz DVHLIGNHKVCIPB-ZWNOBZJWSA-N 0 3 238.762 3.355 20 0 BGADHN C[C@@H]1CCCCN(Cc2cncc(Cl)c2)C1 ZINC000621280367 370211936 /nfs/dbraw/zinc/21/19/36/370211936.db2.gz UXEMURWZBDTEGN-LLVKDONJSA-N 0 3 238.762 3.357 20 0 BGADHN C[C@H]1CCCCN(Cc2cncc(Cl)c2)C1 ZINC000621280368 370212110 /nfs/dbraw/zinc/21/21/10/370212110.db2.gz UXEMURWZBDTEGN-NSHDSACASA-N 0 3 238.762 3.357 20 0 BGADHN Clc1cncc(CN2CC[C@@H]3CCC[C@@H]32)c1 ZINC000621282256 370213014 /nfs/dbraw/zinc/21/30/14/370213014.db2.gz YVLJFLOWEMGZHM-AAEUAGOBSA-N 0 3 236.746 3.109 20 0 BGADHN Clc1cncc(CN2CC[C@H]3CCC[C@H]32)c1 ZINC000621282257 370212878 /nfs/dbraw/zinc/21/28/78/370212878.db2.gz YVLJFLOWEMGZHM-DGCLKSJQSA-N 0 3 236.746 3.109 20 0 BGADHN Clc1cncc(CN2CC[C@@H]3CCC[C@H]32)c1 ZINC000621282258 370212865 /nfs/dbraw/zinc/21/28/65/370212865.db2.gz YVLJFLOWEMGZHM-WCQYABFASA-N 0 3 236.746 3.109 20 0 BGADHN Clc1cncc(CN2CC[C@H]3CCC[C@@H]32)c1 ZINC000621282259 350449390 /nfs/dbraw/zinc/44/93/90/350449390.db2.gz YVLJFLOWEMGZHM-YPMHNXCESA-N 0 3 236.746 3.109 20 0 BGADHN CCN(Cc1cncc(Cl)c1)CC1CCC1 ZINC000621289113 370216942 /nfs/dbraw/zinc/21/69/42/370216942.db2.gz VBHQTUZLSIEAEC-UHFFFAOYSA-N 0 3 238.762 3.357 20 0 BGADHN Cc1cc(CN2CCC3(CCC3)CC2)ccn1 ZINC000621295002 370220445 /nfs/dbraw/zinc/22/04/45/370220445.db2.gz VHKXTMORNKFGCG-UHFFFAOYSA-N 0 3 230.355 3.156 20 0 BGADHN CCCN(CCCOC)Cc1ccccc1F ZINC000621297046 370224726 /nfs/dbraw/zinc/22/47/26/370224726.db2.gz ZHIWVIWJMVBQNM-UHFFFAOYSA-N 0 3 239.334 3.074 20 0 BGADHN Cc1cc(CN2CCC(C3CC3)CC2)ccn1 ZINC000621297572 370225152 /nfs/dbraw/zinc/22/51/52/370225152.db2.gz SQTGTWKULRBJJH-UHFFFAOYSA-N 0 3 230.355 3.012 20 0 BGADHN C[C@H]1CCC(C)(C)N1Cc1cncc(Cl)c1 ZINC000621300248 370229599 /nfs/dbraw/zinc/22/95/99/370229599.db2.gz DBZLONZLZFOFHA-JTQLQIEISA-N 0 3 238.762 3.498 20 0 BGADHN C[C@@H]1CCC(C)(C)N1Cc1cncc(Cl)c1 ZINC000621300249 370229636 /nfs/dbraw/zinc/22/96/36/370229636.db2.gz DBZLONZLZFOFHA-SNVBAGLBSA-N 0 3 238.762 3.498 20 0 BGADHN CN(Cc1cncc(Cl)c1)C1CC(C)(C)C1 ZINC000621300946 370230332 /nfs/dbraw/zinc/23/03/32/370230332.db2.gz CFYFMZNHFHKPBR-UHFFFAOYSA-N 0 3 238.762 3.355 20 0 BGADHN C[C@H]1[C@@H](C)N(Cc2cncc(Cl)c2)C[C@H]1C ZINC000621302792 370233406 /nfs/dbraw/zinc/23/34/06/370233406.db2.gz OMKYLZQYTZMSHO-GMTAPVOTSA-N 0 3 238.762 3.211 20 0 BGADHN C[C@@H]1[C@H](C)CN(Cc2cncc(Cl)c2)[C@H]1C ZINC000621302793 370233394 /nfs/dbraw/zinc/23/33/94/370233394.db2.gz OMKYLZQYTZMSHO-MXWKQRLJSA-N 0 3 238.762 3.211 20 0 BGADHN C[C@@H]1[C@@H](C)[C@H](C)CN1Cc1cncc(Cl)c1 ZINC000621302794 370233145 /nfs/dbraw/zinc/23/31/45/370233145.db2.gz OMKYLZQYTZMSHO-OUAUKWLOSA-N 0 3 238.762 3.211 20 0 BGADHN C[C@@H]1CN(Cc2cncc(Cl)c2)[C@@H](C)[C@H]1C ZINC000621302795 370233367 /nfs/dbraw/zinc/23/33/67/370233367.db2.gz OMKYLZQYTZMSHO-VWYCJHECSA-N 0 3 238.762 3.211 20 0 BGADHN CC[C@@H](C)N(CC)Cc1ccccc1F ZINC000621311039 370236046 /nfs/dbraw/zinc/23/60/46/370236046.db2.gz QJHJTPQQUSCTSS-LLVKDONJSA-N 0 3 209.308 3.446 20 0 BGADHN CC[C@H](C)N(CC)Cc1ccccc1F ZINC000621311040 370236263 /nfs/dbraw/zinc/23/62/63/370236263.db2.gz QJHJTPQQUSCTSS-NSHDSACASA-N 0 3 209.308 3.446 20 0 BGADHN Cc1cc(CN(C)CCC(C)(C)C)ccn1 ZINC000621312042 370236091 /nfs/dbraw/zinc/23/60/91/370236091.db2.gz HJQKEQXVXRYAPK-UHFFFAOYSA-N 0 3 220.360 3.258 20 0 BGADHN Clc1cncc(CNC2(C3CCC3)CC2)c1 ZINC000621312682 370237404 /nfs/dbraw/zinc/23/74/04/370237404.db2.gz BZPRLVJCRYQQQN-UHFFFAOYSA-N 0 3 236.746 3.157 20 0 BGADHN CCCN(Cc1cncc(Cl)c1)C(C)C ZINC000621313059 370238847 /nfs/dbraw/zinc/23/88/47/370238847.db2.gz RYBCMDXYYSBYNO-UHFFFAOYSA-N 0 3 226.751 3.355 20 0 BGADHN CC[C@H](C)N(CC)Cc1cncc(Cl)c1 ZINC000621314380 370239556 /nfs/dbraw/zinc/23/95/56/370239556.db2.gz TUCUXPRDJJQRGE-JTQLQIEISA-N 0 3 226.751 3.355 20 0 BGADHN CC[C@@H](C)N(CC)Cc1cncc(Cl)c1 ZINC000621314381 370239914 /nfs/dbraw/zinc/23/99/14/370239914.db2.gz TUCUXPRDJJQRGE-SNVBAGLBSA-N 0 3 226.751 3.355 20 0 BGADHN Cc1cc(CN2CCC(C3CCC3)CC2)ccn1 ZINC000621315524 370241419 /nfs/dbraw/zinc/24/14/19/370241419.db2.gz PDFJLJQSEVIBQL-UHFFFAOYSA-N 0 3 244.382 3.402 20 0 BGADHN CCCCN(CCOC)[C@H](C)c1ccc(C)o1 ZINC000621317556 370244164 /nfs/dbraw/zinc/24/41/64/370244164.db2.gz KTHZBDFEFIBIDX-CYBMUJFWSA-N 0 3 239.359 3.398 20 0 BGADHN CCCCN(CCOC)[C@@H](C)c1ccc(C)o1 ZINC000621317557 370244056 /nfs/dbraw/zinc/24/40/56/370244056.db2.gz KTHZBDFEFIBIDX-ZDUSSCGKSA-N 0 3 239.359 3.398 20 0 BGADHN CCCN(Cc1ccccc1F)[C@H](C)COC ZINC000621317562 342788840 /nfs/dbraw/zinc/78/88/40/342788840.db2.gz LIUZLYYOOIUSTH-GFCCVEGCSA-N 0 3 239.334 3.073 20 0 BGADHN CCCN(Cc1ccccc1F)[C@@H](C)COC ZINC000621317563 342788900 /nfs/dbraw/zinc/78/89/00/342788900.db2.gz LIUZLYYOOIUSTH-LBPRGKRZSA-N 0 3 239.334 3.073 20 0 BGADHN CCCCN(CCCO)[C@H](C)c1ccc(C)o1 ZINC000621317697 370245575 /nfs/dbraw/zinc/24/55/75/370245575.db2.gz URUPPPDQHRKSES-CYBMUJFWSA-N 0 3 239.359 3.134 20 0 BGADHN CCCCN(CCCO)[C@@H](C)c1ccc(C)o1 ZINC000621317698 370245429 /nfs/dbraw/zinc/24/54/29/370245429.db2.gz URUPPPDQHRKSES-ZDUSSCGKSA-N 0 3 239.359 3.134 20 0 BGADHN CC(C)CC1(NCc2cncc(Cl)c2)CC1 ZINC000621321943 370248993 /nfs/dbraw/zinc/24/89/93/370248993.db2.gz FLDZNVXEMYHGTP-UHFFFAOYSA-N 0 3 238.762 3.403 20 0 BGADHN CN(Cc1cncc(Cl)c1)C[C@H]1CC1(C)C ZINC000621323152 370252319 /nfs/dbraw/zinc/25/23/19/370252319.db2.gz URUVNVKFFGTYNA-LLVKDONJSA-N 0 3 238.762 3.213 20 0 BGADHN CN(Cc1cncc(Cl)c1)C[C@@H]1CC1(C)C ZINC000621323153 370251939 /nfs/dbraw/zinc/25/19/39/370251939.db2.gz URUVNVKFFGTYNA-NSHDSACASA-N 0 3 238.762 3.213 20 0 BGADHN CCCc1ccc(CNCc2cccnc2)s1 ZINC000621326026 370257300 /nfs/dbraw/zinc/25/73/00/370257300.db2.gz VITLBCFNPAONMO-UHFFFAOYSA-N 0 3 246.379 3.385 20 0 BGADHN Cc1nccnc1CNC(C)(C)CC(C)(C)C ZINC000621328087 370259252 /nfs/dbraw/zinc/25/92/52/370259252.db2.gz FYVIBNFKNYYSNP-UHFFFAOYSA-N 0 3 235.375 3.089 20 0 BGADHN CCCc1ccc(CNCc2c[nH]nc2C)s1 ZINC000621328623 370259390 /nfs/dbraw/zinc/25/93/90/370259390.db2.gz ZYXYTXAQWJLKQV-UHFFFAOYSA-N 0 3 249.383 3.022 20 0 BGADHN CCC[C@H]1CCCC[C@@H]1NCc1nccnc1C ZINC000621333433 370267270 /nfs/dbraw/zinc/26/72/70/370267270.db2.gz CPSODIXRHYIUFU-KBPBESRZSA-N 0 3 247.386 3.234 20 0 BGADHN CCC[C@@H]1CCCC[C@@H]1NCc1nccnc1C ZINC000621333434 370267214 /nfs/dbraw/zinc/26/72/14/370267214.db2.gz CPSODIXRHYIUFU-KGLIPLIRSA-N 0 3 247.386 3.234 20 0 BGADHN CCC[C@H]1CCCC[C@H]1NCc1nccnc1C ZINC000621333435 370266772 /nfs/dbraw/zinc/26/67/72/370266772.db2.gz CPSODIXRHYIUFU-UONOGXRCSA-N 0 3 247.386 3.234 20 0 BGADHN CCC[C@@H]1CCCC[C@H]1NCc1nccnc1C ZINC000621333436 370267257 /nfs/dbraw/zinc/26/72/57/370267257.db2.gz CPSODIXRHYIUFU-ZIAGYGMSSA-N 0 3 247.386 3.234 20 0 BGADHN CCCc1ccc(CNC(C)(C)COC)s1 ZINC000621333742 370266937 /nfs/dbraw/zinc/26/69/37/370266937.db2.gz OWHHSMHCEVSJKU-UHFFFAOYSA-N 0 3 241.400 3.215 20 0 BGADHN CCCC[C@H]1CCC[C@@H]1NCc1nccnc1C ZINC000621333886 343064860 /nfs/dbraw/zinc/06/48/60/343064860.db2.gz VMZHQSDMPGFQDI-KBPBESRZSA-N 0 3 247.386 3.234 20 0 BGADHN CCCC[C@@H]1CCC[C@@H]1NCc1nccnc1C ZINC000621333887 343064560 /nfs/dbraw/zinc/06/45/60/343064560.db2.gz VMZHQSDMPGFQDI-KGLIPLIRSA-N 0 3 247.386 3.234 20 0 BGADHN CCCC[C@H]1CCC[C@H]1NCc1nccnc1C ZINC000621333888 343064474 /nfs/dbraw/zinc/06/44/74/343064474.db2.gz VMZHQSDMPGFQDI-UONOGXRCSA-N 0 3 247.386 3.234 20 0 BGADHN CCCC[C@@H]1CCC[C@H]1NCc1nccnc1C ZINC000621333889 343064545 /nfs/dbraw/zinc/06/45/45/343064545.db2.gz VMZHQSDMPGFQDI-ZIAGYGMSSA-N 0 3 247.386 3.234 20 0 BGADHN Cc1nccnc1CN[C@H]1CCCC[C@H]1C(C)C ZINC000621333984 370267638 /nfs/dbraw/zinc/26/76/38/370267638.db2.gz ZUBUDLJAADUSNX-KBPBESRZSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1nccnc1CN[C@H]1CCCC[C@@H]1C(C)C ZINC000621333985 370267485 /nfs/dbraw/zinc/26/74/85/370267485.db2.gz ZUBUDLJAADUSNX-KGLIPLIRSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1nccnc1CN[C@@H]1CCCC[C@H]1C(C)C ZINC000621333986 370266954 /nfs/dbraw/zinc/26/69/54/370266954.db2.gz ZUBUDLJAADUSNX-UONOGXRCSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1nccnc1CN[C@@H]1CCCC[C@@H]1C(C)C ZINC000621333987 370266902 /nfs/dbraw/zinc/26/69/02/370266902.db2.gz ZUBUDLJAADUSNX-ZIAGYGMSSA-N 0 3 247.386 3.089 20 0 BGADHN CCCc1ccc(CNCc2cc(C)[nH]n2)s1 ZINC000621337158 370271080 /nfs/dbraw/zinc/27/10/80/370271080.db2.gz ODHCQLMVJCJMAC-UHFFFAOYSA-N 0 3 249.383 3.022 20 0 BGADHN Cc1nccnc1CN[C@H]1CCC(C)(C)C[C@@H]1C ZINC000621338540 370272310 /nfs/dbraw/zinc/27/23/10/370272310.db2.gz DKDFIJORYLMUCY-AAEUAGOBSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1nccnc1CN[C@@H]1CCC(C)(C)C[C@H]1C ZINC000621338541 370272438 /nfs/dbraw/zinc/27/24/38/370272438.db2.gz DKDFIJORYLMUCY-DGCLKSJQSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1nccnc1CN[C@@H]1CCC(C)(C)C[C@@H]1C ZINC000621338542 370272678 /nfs/dbraw/zinc/27/26/78/370272678.db2.gz DKDFIJORYLMUCY-WCQYABFASA-N 0 3 247.386 3.089 20 0 BGADHN Cc1nccnc1CN[C@H]1CCC(C)(C)C[C@H]1C ZINC000621338543 370272029 /nfs/dbraw/zinc/27/20/29/370272029.db2.gz DKDFIJORYLMUCY-YPMHNXCESA-N 0 3 247.386 3.089 20 0 BGADHN CCCc1ccc(CNCc2ccn(C)c2)s1 ZINC000621338951 370272153 /nfs/dbraw/zinc/27/21/53/370272153.db2.gz QIACUABJXDNMMT-UHFFFAOYSA-N 0 3 248.395 3.329 20 0 BGADHN CCCc1ccc(CN[C@@H](C)c2cn[nH]c2)s1 ZINC000621342636 343100040 /nfs/dbraw/zinc/10/00/40/343100040.db2.gz DKOFMGFLACKVIZ-JTQLQIEISA-N 0 3 249.383 3.275 20 0 BGADHN CCCc1ccc(CN[C@H](C)c2cn[nH]c2)s1 ZINC000621342637 343100032 /nfs/dbraw/zinc/10/00/32/343100032.db2.gz DKOFMGFLACKVIZ-SNVBAGLBSA-N 0 3 249.383 3.275 20 0 BGADHN CCOc1cncc(CNCCC2=CCCC2)c1 ZINC000621343091 370275927 /nfs/dbraw/zinc/27/59/27/370275927.db2.gz VITRNWOENNTQTE-UHFFFAOYSA-N 0 3 246.354 3.070 20 0 BGADHN CCCc1ccc(CNCCOC(C)C)s1 ZINC000621344377 370277401 /nfs/dbraw/zinc/27/74/01/370277401.db2.gz FHHPDYHRHLOKTD-UHFFFAOYSA-N 0 3 241.400 3.215 20 0 BGADHN CCCc1ccc(CN[C@@H](C)COCC)s1 ZINC000621345227 370278342 /nfs/dbraw/zinc/27/83/42/370278342.db2.gz GMXINDRQLJGHRA-NSHDSACASA-N 0 3 241.400 3.215 20 0 BGADHN FC1(F)C[C@@H]1CCNc1ccnc2ccccc21 ZINC000621345803 370280236 /nfs/dbraw/zinc/28/02/36/370280236.db2.gz XGZKZTYAUWRMDC-JTQLQIEISA-N 0 3 248.276 3.114 20 0 BGADHN FC1(F)C[C@H]1CCNc1ccnc2ccccc21 ZINC000621345804 370280119 /nfs/dbraw/zinc/28/01/19/370280119.db2.gz XGZKZTYAUWRMDC-SNVBAGLBSA-N 0 3 248.276 3.114 20 0 BGADHN CCCc1ccc(CN[C@H](C)CF)s1 ZINC000621355648 370291824 /nfs/dbraw/zinc/29/18/24/370291824.db2.gz SRMBRMBWMCKHCA-SECBINFHSA-N 0 3 215.337 3.148 20 0 BGADHN CCCc1ccc(CN[C@@H](C)CF)s1 ZINC000621355649 370279259 /nfs/dbraw/zinc/27/92/59/370279259.db2.gz SRMBRMBWMCKHCA-VIFPVBQESA-N 0 3 215.337 3.148 20 0 BGADHN CCOc1cncc(CNCC2=CCCCC2)c1 ZINC000621358513 370293338 /nfs/dbraw/zinc/29/33/38/370293338.db2.gz KQOKELSAXOTMBJ-UHFFFAOYSA-N 0 3 246.354 3.070 20 0 BGADHN CCC[C@@H](NCc1nccnc1C)C(C)(C)C ZINC000621359752 370294681 /nfs/dbraw/zinc/29/46/81/370294681.db2.gz VHCUJKWNZXNMCC-CYBMUJFWSA-N 0 3 235.375 3.089 20 0 BGADHN CCC[C@H](NCc1nccnc1C)C(C)(C)C ZINC000621359753 370291193 /nfs/dbraw/zinc/29/11/93/370291193.db2.gz VHCUJKWNZXNMCC-ZDUSSCGKSA-N 0 3 235.375 3.089 20 0 BGADHN Cc1nccnc1CN[C@@H](C)[C@H]1CCC[C@@H](C)C1 ZINC000621360238 370294813 /nfs/dbraw/zinc/29/48/13/370294813.db2.gz MPWSOSACHOPQPZ-DYEKYZERSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1nccnc1CN[C@@H](C)[C@@H]1CCC[C@@H](C)C1 ZINC000621360239 370294772 /nfs/dbraw/zinc/29/47/72/370294772.db2.gz MPWSOSACHOPQPZ-MBNYWOFBSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1nccnc1CN[C@@H](C)[C@H]1CCC[C@H](C)C1 ZINC000621360240 343255376 /nfs/dbraw/zinc/25/53/76/343255376.db2.gz MPWSOSACHOPQPZ-OBJOEFQTSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1nccnc1CN[C@@H](C)[C@@H]1CCC[C@H](C)C1 ZINC000621360241 343255247 /nfs/dbraw/zinc/25/52/47/343255247.db2.gz MPWSOSACHOPQPZ-SGMGOOAPSA-N 0 3 247.386 3.089 20 0 BGADHN CCOc1cncc(CN[C@@H]2C[C@H]2CC(C)C)c1 ZINC000621361583 370296320 /nfs/dbraw/zinc/29/63/20/370296320.db2.gz CKSXEMHZCKWKHU-UKRRQHHQSA-N 0 3 248.370 3.005 20 0 BGADHN Fc1ccc(SCCN2CCCC2)c(F)c1 ZINC000621371187 370306530 /nfs/dbraw/zinc/30/65/30/370306530.db2.gz FWYSRGHBGULBDN-UHFFFAOYSA-N 0 3 243.322 3.153 20 0 BGADHN CCOc1cncc(CNC2(CC(C)C)CC2)c1 ZINC000621372133 370309315 /nfs/dbraw/zinc/30/93/15/370309315.db2.gz PXFLJAXZHLTMOJ-UHFFFAOYSA-N 0 3 248.370 3.149 20 0 BGADHN Cc1cccc(CNCC[C@@H]2CC2(F)F)c1F ZINC000621377370 370318894 /nfs/dbraw/zinc/31/88/94/370318894.db2.gz WVZOKQKWFFRLJV-LLVKDONJSA-N 0 3 243.272 3.269 20 0 BGADHN Cc1cccc(CNCC[C@H]2CC2(F)F)c1F ZINC000621377371 370318489 /nfs/dbraw/zinc/31/84/89/370318489.db2.gz WVZOKQKWFFRLJV-NSHDSACASA-N 0 3 243.272 3.269 20 0 BGADHN Fc1cccc(CNCC[C@@H]2CC2(F)F)c1F ZINC000621378155 370319908 /nfs/dbraw/zinc/31/99/08/370319908.db2.gz OVCUPRNKPQBPMS-SECBINFHSA-N 0 3 247.235 3.100 20 0 BGADHN Fc1cccc(CNCC[C@H]2CC2(F)F)c1F ZINC000621378156 370315407 /nfs/dbraw/zinc/31/54/07/370315407.db2.gz OVCUPRNKPQBPMS-VIFPVBQESA-N 0 3 247.235 3.100 20 0 BGADHN Cc1ccc(F)c(CNCC[C@@H]2CC2(F)F)c1 ZINC000621378272 370320436 /nfs/dbraw/zinc/32/04/36/370320436.db2.gz ROMYMHYZQYUMTI-LLVKDONJSA-N 0 3 243.272 3.269 20 0 BGADHN Cc1ccc(F)c(CNCC[C@H]2CC2(F)F)c1 ZINC000621378273 370320303 /nfs/dbraw/zinc/32/03/03/370320303.db2.gz ROMYMHYZQYUMTI-NSHDSACASA-N 0 3 243.272 3.269 20 0 BGADHN Fc1ccc(F)c(CNCC[C@@H]2CC2(F)F)c1 ZINC000621379338 370322583 /nfs/dbraw/zinc/32/25/83/370322583.db2.gz RUSRHZMFVMROIQ-SECBINFHSA-N 0 3 247.235 3.100 20 0 BGADHN Fc1ccc(F)c(CNCC[C@H]2CC2(F)F)c1 ZINC000621379339 370322950 /nfs/dbraw/zinc/32/29/50/370322950.db2.gz RUSRHZMFVMROIQ-VIFPVBQESA-N 0 3 247.235 3.100 20 0 BGADHN FC1(F)C[C@H]1CCNCc1ccc(Cl)o1 ZINC000621379430 370323112 /nfs/dbraw/zinc/32/31/12/370323112.db2.gz UZMUZYAOYDLGFL-SSDOTTSWSA-N 0 3 235.661 3.068 20 0 BGADHN FC1(F)C[C@@H]1CCNCc1ccc(Cl)o1 ZINC000621379431 370322791 /nfs/dbraw/zinc/32/27/91/370322791.db2.gz UZMUZYAOYDLGFL-ZETCQYMHSA-N 0 3 235.661 3.068 20 0 BGADHN Fc1cccc(F)c1CNCC[C@@H]1CC1(F)F ZINC000621379874 370324350 /nfs/dbraw/zinc/32/43/50/370324350.db2.gz HGSZNNLPVLWWPB-MRVPVSSYSA-N 0 3 247.235 3.100 20 0 BGADHN Fc1cccc(F)c1CNCC[C@H]1CC1(F)F ZINC000621379875 370324656 /nfs/dbraw/zinc/32/46/56/370324656.db2.gz HGSZNNLPVLWWPB-QMMMGPOBSA-N 0 3 247.235 3.100 20 0 BGADHN Fc1ccc(CNCC[C@@H]2CC2(F)F)c(F)c1 ZINC000621380006 370324404 /nfs/dbraw/zinc/32/44/04/370324404.db2.gz KUFQLUJEMJKESK-SECBINFHSA-N 0 3 247.235 3.100 20 0 BGADHN Fc1ccc(CNCC[C@H]2CC2(F)F)c(F)c1 ZINC000621380007 370324602 /nfs/dbraw/zinc/32/46/02/370324602.db2.gz KUFQLUJEMJKESK-VIFPVBQESA-N 0 3 247.235 3.100 20 0 BGADHN FC1(F)C[C@@H]1CCNCc1ccccc1Cl ZINC000621380193 370324271 /nfs/dbraw/zinc/32/42/71/370324271.db2.gz PTRYXAJQRXYOSY-JTQLQIEISA-N 0 3 245.700 3.475 20 0 BGADHN FC1(F)C[C@H]1CCNCc1ccccc1Cl ZINC000621380194 370323891 /nfs/dbraw/zinc/32/38/91/370323891.db2.gz PTRYXAJQRXYOSY-SNVBAGLBSA-N 0 3 245.700 3.475 20 0 BGADHN CC1CC(CNCc2c(F)cccc2F)C1 ZINC000621382916 370326134 /nfs/dbraw/zinc/32/61/34/370326134.db2.gz IUHSRZOKSAAGKY-UHFFFAOYSA-N 0 3 225.282 3.101 20 0 BGADHN CC1CC(CNCc2ccc(F)cc2F)C1 ZINC000621382964 370326721 /nfs/dbraw/zinc/32/67/21/370326721.db2.gz KXQUKNCNQVNAEJ-UHFFFAOYSA-N 0 3 225.282 3.101 20 0 BGADHN CC1CC(CNCc2ccc(Cl)o2)C1 ZINC000621383029 370327079 /nfs/dbraw/zinc/32/70/79/370327079.db2.gz NUAWMMKBJMDOMX-UHFFFAOYSA-N 0 3 213.708 3.069 20 0 BGADHN CC1CC(CNCc2cc(F)c(F)cc2F)C1 ZINC000621383403 370326788 /nfs/dbraw/zinc/32/67/88/370326788.db2.gz FOUKPEOCNXYHMM-UHFFFAOYSA-N 0 3 243.272 3.240 20 0 BGADHN CC1CC(CNCc2csc(C3CC3)n2)C1 ZINC000621383507 370327068 /nfs/dbraw/zinc/32/70/68/370327068.db2.gz JUKRAVZIPAOBBC-UHFFFAOYSA-N 0 3 236.384 3.156 20 0 BGADHN CC1CC(CNCc2cccc(F)c2F)C1 ZINC000621383672 370327324 /nfs/dbraw/zinc/32/73/24/370327324.db2.gz PXEHLKZVUPLNFO-UHFFFAOYSA-N 0 3 225.282 3.101 20 0 BGADHN CC1CC(CNCc2cc(F)ccc2F)C1 ZINC000621383965 370328353 /nfs/dbraw/zinc/32/83/53/370328353.db2.gz WHTZMIZVTVRGKQ-UHFFFAOYSA-N 0 3 225.282 3.101 20 0 BGADHN CC(C)c1cnc(CNCC2CC(C)C2)s1 ZINC000621384295 370328178 /nfs/dbraw/zinc/32/81/78/370328178.db2.gz ARBLBCZUIWOFRQ-UHFFFAOYSA-N 0 3 238.400 3.402 20 0 BGADHN CC1CC(CNCc2ccc(F)c(F)c2F)C1 ZINC000621384782 370329633 /nfs/dbraw/zinc/32/96/33/370329633.db2.gz UGJLRTXOMNOFQP-UHFFFAOYSA-N 0 3 243.272 3.240 20 0 BGADHN C[C@H]1c2ccccc2CN1CCC[C@H]1CCOC1 ZINC000621399725 370337064 /nfs/dbraw/zinc/33/70/64/370337064.db2.gz BZEAICZKXSTAEG-KBPBESRZSA-N 0 3 245.366 3.380 20 0 BGADHN C[C@H]1c2ccccc2CN1CCC[C@@H]1CCOC1 ZINC000621399726 370337153 /nfs/dbraw/zinc/33/71/53/370337153.db2.gz BZEAICZKXSTAEG-UONOGXRCSA-N 0 3 245.366 3.380 20 0 BGADHN C[C@H]1CC[C@@H](CN2Cc3ccccc3[C@@H]2C)O1 ZINC000621399807 370337750 /nfs/dbraw/zinc/33/77/50/370337750.db2.gz ILBXWNCDFLZHRM-OBJOEFQTSA-N 0 3 231.339 3.131 20 0 BGADHN C[C@H]1CC[C@H](CN2Cc3ccccc3[C@@H]2C)O1 ZINC000621399808 370336847 /nfs/dbraw/zinc/33/68/47/370336847.db2.gz ILBXWNCDFLZHRM-SGMGOOAPSA-N 0 3 231.339 3.131 20 0 BGADHN CO[C@H](CN1Cc2ccccc2[C@@H]1C)C1CCC1 ZINC000621400886 370338961 /nfs/dbraw/zinc/33/89/61/370338961.db2.gz VQTLNMZXCFWLCV-BLLLJJGKSA-N 0 3 245.366 3.378 20 0 BGADHN CO[C@@H](CN1Cc2ccccc2[C@@H]1C)C1CCC1 ZINC000621400887 370339284 /nfs/dbraw/zinc/33/92/84/370339284.db2.gz VQTLNMZXCFWLCV-LRDDRELGSA-N 0 3 245.366 3.378 20 0 BGADHN CC(C)CN[C@@H](C(F)F)C1CCCCC1 ZINC000621405453 370341884 /nfs/dbraw/zinc/34/18/84/370341884.db2.gz UPEQCHWQKXHJHA-LLVKDONJSA-N 0 3 219.319 3.446 20 0 BGADHN CC(C)CN[C@H](C(F)F)C1CCCCC1 ZINC000621405454 370341659 /nfs/dbraw/zinc/34/16/59/370341659.db2.gz UPEQCHWQKXHJHA-NSHDSACASA-N 0 3 219.319 3.446 20 0 BGADHN CCCCN(CC)Cc1cncc(OCC)c1 ZINC000621708866 370453468 /nfs/dbraw/zinc/45/34/68/370453468.db2.gz CLUYWHIMDAAIDO-UHFFFAOYSA-N 0 3 236.359 3.102 20 0 BGADHN CCOc1cncc(CN(C)C2CCCCC2)c1 ZINC000621708933 370453384 /nfs/dbraw/zinc/45/33/84/370453384.db2.gz FPDSHFIRBVLBOO-UHFFFAOYSA-N 0 3 248.370 3.245 20 0 BGADHN CCOc1cncc(CN2CCCC[C@@H]2CC)c1 ZINC000621709161 370455018 /nfs/dbraw/zinc/45/50/18/370455018.db2.gz NFEAISDIKRNYNH-AWEZNQCLSA-N 0 3 248.370 3.245 20 0 BGADHN CCOc1cncc(CN2CCCC[C@H]2CC)c1 ZINC000621709162 370454887 /nfs/dbraw/zinc/45/48/87/370454887.db2.gz NFEAISDIKRNYNH-CQSZACIVSA-N 0 3 248.370 3.245 20 0 BGADHN CCCCN(CCCC)Cc1nccnc1C ZINC000621709164 370454764 /nfs/dbraw/zinc/45/47/64/370454764.db2.gz NKXVFMCOKYILKI-UHFFFAOYSA-N 0 3 235.375 3.187 20 0 BGADHN CCCN(CCC)Cc1cncc(OCC)c1 ZINC000621709378 370455035 /nfs/dbraw/zinc/45/50/35/370455035.db2.gz TVHNVJQWVSNSDU-UHFFFAOYSA-N 0 3 236.359 3.102 20 0 BGADHN CCC1CCC(N(C)Cc2nccnc2C)CC1 ZINC000621711112 370455876 /nfs/dbraw/zinc/45/58/76/370455876.db2.gz FLYMCINHXNHIDJ-UHFFFAOYSA-N 0 3 247.386 3.186 20 0 BGADHN CCOc1cncc(CN2CCC[C@H]2C(C)C)c1 ZINC000621711359 370457807 /nfs/dbraw/zinc/45/78/07/370457807.db2.gz PYPZTZWODGJJTG-HNNXBMFYSA-N 0 3 248.370 3.101 20 0 BGADHN CCOc1cncc(CN2CCC[C@@H]2C(C)C)c1 ZINC000621711360 370457595 /nfs/dbraw/zinc/45/75/95/370457595.db2.gz PYPZTZWODGJJTG-OAHLLOKOSA-N 0 3 248.370 3.101 20 0 BGADHN CCCc1ccc(CN(CC)CCOC)s1 ZINC000621711434 370457311 /nfs/dbraw/zinc/45/73/11/370457311.db2.gz TVYSHEOGVJYUFW-UHFFFAOYSA-N 0 3 241.400 3.169 20 0 BGADHN CCCCN(Cc1cncc(OCC)c1)C1CC1 ZINC000621711452 370457248 /nfs/dbraw/zinc/45/72/48/370457248.db2.gz URUJDMPVYVZCMM-UHFFFAOYSA-N 0 3 248.370 3.245 20 0 BGADHN CCC[C@@H](C)N(C)Cc1cncc(OCC)c1 ZINC000621711765 370457423 /nfs/dbraw/zinc/45/74/23/370457423.db2.gz GJVNIYPMXLXMEC-GFCCVEGCSA-N 0 3 236.359 3.101 20 0 BGADHN CCC[C@H](C)N(C)Cc1cncc(OCC)c1 ZINC000621711766 370457952 /nfs/dbraw/zinc/45/79/52/370457952.db2.gz GJVNIYPMXLXMEC-LBPRGKRZSA-N 0 3 236.359 3.101 20 0 BGADHN CCCc1ccc(CN(C)C2CC2)s1 ZINC000621711793 370457899 /nfs/dbraw/zinc/45/78/99/370457899.db2.gz HNTKQMKLLCAZGI-UHFFFAOYSA-N 0 3 209.358 3.295 20 0 BGADHN CCCCCN(Cc1nccnc1C)C(C)C ZINC000621711802 370457567 /nfs/dbraw/zinc/45/75/67/370457567.db2.gz HXTIZJBOEXELQO-UHFFFAOYSA-N 0 3 235.375 3.186 20 0 BGADHN CCOc1cncc(CN(CC(C)C)C2CC2)c1 ZINC000621712098 370457746 /nfs/dbraw/zinc/45/77/46/370457746.db2.gz SCYWGWKWGFDBTA-UHFFFAOYSA-N 0 3 248.370 3.101 20 0 BGADHN CCC(CC)CN(CC)Cc1nccnc1C ZINC000621712174 370458713 /nfs/dbraw/zinc/45/87/13/370458713.db2.gz VALWBQYZOTWCKU-UHFFFAOYSA-N 0 3 235.375 3.043 20 0 BGADHN Cc1nccnc1CN(C1CC1)C1CCCCC1 ZINC000621712242 370459531 /nfs/dbraw/zinc/45/95/31/370459531.db2.gz YITIZRNRBJIFDC-UHFFFAOYSA-N 0 3 245.370 3.082 20 0 BGADHN CCOc1cncc(CN2CCC(CC)CC2)c1 ZINC000621712386 370459267 /nfs/dbraw/zinc/45/92/67/370459267.db2.gz AEXDYLDEAPBCGU-UHFFFAOYSA-N 0 3 248.370 3.102 20 0 BGADHN CCOc1cncc(CN2CCC[C@@H](CC)C2)c1 ZINC000621712654 370459851 /nfs/dbraw/zinc/45/98/51/370459851.db2.gz KQELJLZIJWMIHC-CYBMUJFWSA-N 0 3 248.370 3.102 20 0 BGADHN CCOc1cncc(CN2CCC[C@H](CC)C2)c1 ZINC000621712655 370459397 /nfs/dbraw/zinc/45/93/97/370459397.db2.gz KQELJLZIJWMIHC-ZDUSSCGKSA-N 0 3 248.370 3.102 20 0 BGADHN CCOc1cncc(CN2CCCC(C)(C)C2)c1 ZINC000621712888 370459227 /nfs/dbraw/zinc/45/92/27/370459227.db2.gz SMPMYKRJSUERMN-UHFFFAOYSA-N 0 3 248.370 3.102 20 0 BGADHN CCCc1ccc(CN(C)CCCOC)s1 ZINC000621713268 370461284 /nfs/dbraw/zinc/46/12/84/370461284.db2.gz FEGQVCAGMJUEMY-UHFFFAOYSA-N 0 3 241.400 3.169 20 0 BGADHN CCOc1cncc(CN(C)CC2CCCC2)c1 ZINC000621713384 370460863 /nfs/dbraw/zinc/46/08/63/370460863.db2.gz IMYZFPSRYNQQCY-UHFFFAOYSA-N 0 3 248.370 3.102 20 0 BGADHN CCOc1cncc(CN2CCC[C@@H](C)CC2)c1 ZINC000621713389 370460797 /nfs/dbraw/zinc/46/07/97/370460797.db2.gz IRWRKLQVYVIORJ-CYBMUJFWSA-N 0 3 248.370 3.102 20 0 BGADHN CCOc1cncc(CN2CCC[C@H](C)CC2)c1 ZINC000621713390 343765260 /nfs/dbraw/zinc/76/52/60/343765260.db2.gz IRWRKLQVYVIORJ-ZDUSSCGKSA-N 0 3 248.370 3.102 20 0 BGADHN Cc1nccnc1CN(C)CCC1CCCCC1 ZINC000621714475 370461561 /nfs/dbraw/zinc/46/15/61/370461561.db2.gz OZXPQPYBHMHZOG-UHFFFAOYSA-N 0 3 247.386 3.187 20 0 BGADHN Cc1nccnc1CN1CCC(C(C)(C)C)CC1 ZINC000621714546 370460909 /nfs/dbraw/zinc/46/09/09/370460909.db2.gz QYGJNZFLZAOQLO-UHFFFAOYSA-N 0 3 247.386 3.043 20 0 BGADHN CCOc1cncc(CN2CCC[C@@H](C)[C@H]2C)c1 ZINC000621714664 370463576 /nfs/dbraw/zinc/46/35/76/370463576.db2.gz VJRUXLFSVZYBMM-CHWSQXEVSA-N 0 3 248.370 3.101 20 0 BGADHN CCOc1cncc(CN2CCC[C@@H](C)[C@@H]2C)c1 ZINC000621714665 370463370 /nfs/dbraw/zinc/46/33/70/370463370.db2.gz VJRUXLFSVZYBMM-OLZOCXBDSA-N 0 3 248.370 3.101 20 0 BGADHN CCOc1cncc(CN2CCC[C@H](C)[C@H]2C)c1 ZINC000621714666 370463631 /nfs/dbraw/zinc/46/36/31/370463631.db2.gz VJRUXLFSVZYBMM-QWHCGFSZSA-N 0 3 248.370 3.101 20 0 BGADHN CCOc1cncc(CN2CCC[C@H](C)[C@@H]2C)c1 ZINC000621714667 370463097 /nfs/dbraw/zinc/46/30/97/370463097.db2.gz VJRUXLFSVZYBMM-STQMWFEESA-N 0 3 248.370 3.101 20 0 BGADHN CCOc1cncc(CN2CCC(C)(C)CC2)c1 ZINC000621715073 370462778 /nfs/dbraw/zinc/46/27/78/370462778.db2.gz JLFTWCBVZOXDBT-UHFFFAOYSA-N 0 3 248.370 3.102 20 0 BGADHN CC[C@H](C)[C@H](C)N(Cc1nccnc1C)C1CC1 ZINC000621715314 370463641 /nfs/dbraw/zinc/46/36/41/370463641.db2.gz QXWAYULHCVDXLG-AAEUAGOBSA-N 0 3 247.386 3.184 20 0 BGADHN CC[C@@H](C)[C@@H](C)N(Cc1nccnc1C)C1CC1 ZINC000621715315 370463498 /nfs/dbraw/zinc/46/34/98/370463498.db2.gz QXWAYULHCVDXLG-DGCLKSJQSA-N 0 3 247.386 3.184 20 0 BGADHN CC[C@H](C)[C@@H](C)N(Cc1nccnc1C)C1CC1 ZINC000621715316 370462681 /nfs/dbraw/zinc/46/26/81/370462681.db2.gz QXWAYULHCVDXLG-WCQYABFASA-N 0 3 247.386 3.184 20 0 BGADHN CC[C@@H](C)[C@H](C)N(Cc1nccnc1C)C1CC1 ZINC000621715317 343765593 /nfs/dbraw/zinc/76/55/93/343765593.db2.gz QXWAYULHCVDXLG-YPMHNXCESA-N 0 3 247.386 3.184 20 0 BGADHN CCOc1cncc(CN(C)C(C)(C)CC)c1 ZINC000621716150 370463547 /nfs/dbraw/zinc/46/35/47/370463547.db2.gz TWSFXVAOPVRJNO-UHFFFAOYSA-N 0 3 236.359 3.101 20 0 BGADHN CCOc1cncc(CN2C[C@H](C)CC[C@H]2C)c1 ZINC000621716554 370464312 /nfs/dbraw/zinc/46/43/12/370464312.db2.gz FITOARVQZCEMST-CHWSQXEVSA-N 0 3 248.370 3.101 20 0 BGADHN CCOc1cncc(CN2C[C@H](C)CC[C@@H]2C)c1 ZINC000621716555 370464573 /nfs/dbraw/zinc/46/45/73/370464573.db2.gz FITOARVQZCEMST-OLZOCXBDSA-N 0 3 248.370 3.101 20 0 BGADHN CCOc1cncc(CN2C[C@@H](C)CC[C@H]2C)c1 ZINC000621716556 370465104 /nfs/dbraw/zinc/46/51/04/370465104.db2.gz FITOARVQZCEMST-QWHCGFSZSA-N 0 3 248.370 3.101 20 0 BGADHN CCOc1cncc(CN2C[C@@H](C)CC[C@@H]2C)c1 ZINC000621716557 370465038 /nfs/dbraw/zinc/46/50/38/370465038.db2.gz FITOARVQZCEMST-STQMWFEESA-N 0 3 248.370 3.101 20 0 BGADHN CCOc1cncc(CN2C[C@@H](C)C[C@H]2CC)c1 ZINC000621716581 370465062 /nfs/dbraw/zinc/46/50/62/370465062.db2.gz FXDBOVJMMZIZCZ-GXTWGEPZSA-N 0 3 248.370 3.101 20 0 BGADHN CCOc1cncc(CN2C[C@@H](C)C[C@@H]2CC)c1 ZINC000621716582 370464392 /nfs/dbraw/zinc/46/43/92/370464392.db2.gz FXDBOVJMMZIZCZ-JSGCOSHPSA-N 0 3 248.370 3.101 20 0 BGADHN CCOc1cncc(CN2C[C@H](C)C[C@@H]2CC)c1 ZINC000621716583 370464919 /nfs/dbraw/zinc/46/49/19/370464919.db2.gz FXDBOVJMMZIZCZ-OCCSQVGLSA-N 0 3 248.370 3.101 20 0 BGADHN CCOc1cncc(CN2C[C@H](C)C[C@H]2CC)c1 ZINC000621716584 370464960 /nfs/dbraw/zinc/46/49/60/370464960.db2.gz FXDBOVJMMZIZCZ-TZMCWYRMSA-N 0 3 248.370 3.101 20 0 BGADHN CCOc1cncc(CN2CCCCC[C@H]2C)c1 ZINC000621716701 370464910 /nfs/dbraw/zinc/46/49/10/370464910.db2.gz JRYFJYUAUYDKRB-CYBMUJFWSA-N 0 3 248.370 3.245 20 0 BGADHN CCOc1cncc(CN2CCCCC[C@@H]2C)c1 ZINC000621716702 370464328 /nfs/dbraw/zinc/46/43/28/370464328.db2.gz JRYFJYUAUYDKRB-ZDUSSCGKSA-N 0 3 248.370 3.245 20 0 BGADHN Cc1nccnc1CN(C)C1CCC(C)(C)CC1 ZINC000621717151 370466491 /nfs/dbraw/zinc/46/64/91/370466491.db2.gz XPQASXBANKMSFK-UHFFFAOYSA-N 0 3 247.386 3.186 20 0 BGADHN Cc1nccnc1CN1CCC[C@H](C(C)C)CC1 ZINC000621717204 370466334 /nfs/dbraw/zinc/46/63/34/370466334.db2.gz YXDFLWVYPJFEFL-AWEZNQCLSA-N 0 3 247.386 3.043 20 0 BGADHN Cc1nccnc1CN1CCC[C@@H](C(C)C)CC1 ZINC000621717205 370466415 /nfs/dbraw/zinc/46/64/15/370466415.db2.gz YXDFLWVYPJFEFL-CQSZACIVSA-N 0 3 247.386 3.043 20 0 BGADHN CCC[C@@]1(C)CCCN(Cc2nccnc2C)C1 ZINC000621717216 370465685 /nfs/dbraw/zinc/46/56/85/370465685.db2.gz ZEAGVVBEAQDLNT-HNNXBMFYSA-N 0 3 247.386 3.187 20 0 BGADHN CCC[C@]1(C)CCCN(Cc2nccnc2C)C1 ZINC000621717217 370466240 /nfs/dbraw/zinc/46/62/40/370466240.db2.gz ZEAGVVBEAQDLNT-OAHLLOKOSA-N 0 3 247.386 3.187 20 0 BGADHN Cc1nccnc1CN1CCCC[C@H]1CC(C)C ZINC000621717344 370465989 /nfs/dbraw/zinc/46/59/89/370465989.db2.gz BDUBAJGCBHOORU-AWEZNQCLSA-N 0 3 247.386 3.186 20 0 BGADHN Cc1nccnc1CN1CCCC[C@@H]1CC(C)C ZINC000621717345 370465873 /nfs/dbraw/zinc/46/58/73/370465873.db2.gz BDUBAJGCBHOORU-CQSZACIVSA-N 0 3 247.386 3.186 20 0 BGADHN CCOc1cncc(CN(C(C)C)C2CCC2)c1 ZINC000621717903 370468162 /nfs/dbraw/zinc/46/81/62/370468162.db2.gz RUJFBJBVCSRJIF-UHFFFAOYSA-N 0 3 248.370 3.243 20 0 BGADHN Cc1nccnc1CN1CCC[C@@H](CC(C)C)C1 ZINC000621718275 370467343 /nfs/dbraw/zinc/46/73/43/370467343.db2.gz BRSSWPDNFDYGRZ-AWEZNQCLSA-N 0 3 247.386 3.043 20 0 BGADHN Cc1nccnc1CN1CCC[C@H](CC(C)C)C1 ZINC000621718276 370467658 /nfs/dbraw/zinc/46/76/58/370467658.db2.gz BRSSWPDNFDYGRZ-CQSZACIVSA-N 0 3 247.386 3.043 20 0 BGADHN CCOc1cncc(CN2CC[C@](C)(CC)C2)c1 ZINC000621718831 370468876 /nfs/dbraw/zinc/46/88/76/370468876.db2.gz URTKCBMJQQGJQF-HNNXBMFYSA-N 0 3 248.370 3.102 20 0 BGADHN CCOc1cncc(CN2CC[C@@](C)(CC)C2)c1 ZINC000621718832 370467885 /nfs/dbraw/zinc/46/78/85/370467885.db2.gz URTKCBMJQQGJQF-OAHLLOKOSA-N 0 3 248.370 3.102 20 0 BGADHN CCOc1cncc(CN(C)[C@H](C)C2(C)CC2)c1 ZINC000621719286 370469297 /nfs/dbraw/zinc/46/92/97/370469297.db2.gz HSXKTZCNVVLHHO-GFCCVEGCSA-N 0 3 248.370 3.101 20 0 BGADHN CCOc1cncc(CN(C)[C@@H](C)C2(C)CC2)c1 ZINC000621719287 370469584 /nfs/dbraw/zinc/46/95/84/370469584.db2.gz HSXKTZCNVVLHHO-LBPRGKRZSA-N 0 3 248.370 3.101 20 0 BGADHN CCCCC[C@H]1CCCN1Cc1nccnc1C ZINC000621719404 370469767 /nfs/dbraw/zinc/46/97/67/370469767.db2.gz LUECRAOSZRFABS-AWEZNQCLSA-N 0 3 247.386 3.330 20 0 BGADHN CCCCC[C@@H]1CCCN1Cc1nccnc1C ZINC000621719405 370469077 /nfs/dbraw/zinc/46/90/77/370469077.db2.gz LUECRAOSZRFABS-CQSZACIVSA-N 0 3 247.386 3.330 20 0 BGADHN Cc1nccnc1CN1CCC[C@H]1CCC(C)C ZINC000621719553 370468843 /nfs/dbraw/zinc/46/88/43/370468843.db2.gz QCWGOYVYJFTVQT-AWEZNQCLSA-N 0 3 247.386 3.186 20 0 BGADHN Cc1nccnc1CN1CCC[C@@H]1CCC(C)C ZINC000621719554 370469987 /nfs/dbraw/zinc/46/99/87/370469987.db2.gz QCWGOYVYJFTVQT-CQSZACIVSA-N 0 3 247.386 3.186 20 0 BGADHN CCCc1ccc(CN(C)CCOCC)s1 ZINC000621721390 370472689 /nfs/dbraw/zinc/47/26/89/370472689.db2.gz MZBNSDPYTFEKDW-UHFFFAOYSA-N 0 3 241.400 3.169 20 0 BGADHN CCOc1cncc(CN2CCCC[C@@H](C)C2)c1 ZINC000621722670 370473647 /nfs/dbraw/zinc/47/36/47/370473647.db2.gz FBQYJPLRUSNANN-CYBMUJFWSA-N 0 3 248.370 3.102 20 0 BGADHN CCOc1cncc(CN2CCCC[C@H](C)C2)c1 ZINC000621722671 370473798 /nfs/dbraw/zinc/47/37/98/370473798.db2.gz FBQYJPLRUSNANN-ZDUSSCGKSA-N 0 3 248.370 3.102 20 0 BGADHN CCOc1cncc(CN2CC[C@@H](C)[C@@H]2CC)c1 ZINC000621722678 370473561 /nfs/dbraw/zinc/47/35/61/370473561.db2.gz FNWGZSIJMZNNGU-DOMZBBRYSA-N 0 3 248.370 3.101 20 0 BGADHN CCOc1cncc(CN2CC[C@@H](C)[C@H]2CC)c1 ZINC000621722679 370474140 /nfs/dbraw/zinc/47/41/40/370474140.db2.gz FNWGZSIJMZNNGU-IUODEOHRSA-N 0 3 248.370 3.101 20 0 BGADHN CCOc1cncc(CN2CC[C@H](C)[C@H]2CC)c1 ZINC000621722680 370473428 /nfs/dbraw/zinc/47/34/28/370473428.db2.gz FNWGZSIJMZNNGU-SWLSCSKDSA-N 0 3 248.370 3.101 20 0 BGADHN CCOc1cncc(CN2CC[C@H](C)[C@@H]2CC)c1 ZINC000621722681 370473631 /nfs/dbraw/zinc/47/36/31/370473631.db2.gz FNWGZSIJMZNNGU-WFASDCNBSA-N 0 3 248.370 3.101 20 0 BGADHN Cc1nccnc1CN1CCC(C)(C(C)C)CC1 ZINC000621722696 370473866 /nfs/dbraw/zinc/47/38/66/370473866.db2.gz GFAAMLCFKOPIPA-UHFFFAOYSA-N 0 3 247.386 3.043 20 0 BGADHN CCOc1cncc(CN(CC)CCC2CC2)c1 ZINC000621722868 370475515 /nfs/dbraw/zinc/47/55/15/370475515.db2.gz MGERMMCLQBQVOK-UHFFFAOYSA-N 0 3 248.370 3.102 20 0 BGADHN CCC1(CC)CCN(Cc2nccnc2C)CC1 ZINC000621723023 370475445 /nfs/dbraw/zinc/47/54/45/370475445.db2.gz RKJYJGOQNQUDDE-UHFFFAOYSA-N 0 3 247.386 3.187 20 0 BGADHN Cc1nccnc1CN1CC(C)(C)CC(C)(C)C1 ZINC000621723086 370475836 /nfs/dbraw/zinc/47/58/36/370475836.db2.gz UGXVVZLMXCPXPC-UHFFFAOYSA-N 0 3 247.386 3.043 20 0 BGADHN CCOc1cncc(CN(CC)CC2CCC2)c1 ZINC000621725261 370476957 /nfs/dbraw/zinc/47/69/57/370476957.db2.gz IPAUVMNXZQCFIW-UHFFFAOYSA-N 0 3 248.370 3.102 20 0 BGADHN Cc1nccnc1CN(C)[C@@H](C)C1CCCCC1 ZINC000621725435 370476579 /nfs/dbraw/zinc/47/65/79/370476579.db2.gz OGKALTIBEHMOSW-ZDUSSCGKSA-N 0 3 247.386 3.186 20 0 BGADHN CCCc1ccc(CN2CC(C)C2)s1 ZINC000621725649 370478711 /nfs/dbraw/zinc/47/87/11/370478711.db2.gz WVHFFMHTOSPRKG-UHFFFAOYSA-N 0 3 209.358 3.152 20 0 BGADHN Cc1nccnc1CN1CCC[C@@H](C(C)(C)C)C1 ZINC000621725681 370478856 /nfs/dbraw/zinc/47/88/56/370478856.db2.gz XWYKZXYUXOGHTN-CYBMUJFWSA-N 0 3 247.386 3.043 20 0 BGADHN Cc1nccnc1CN1CCC[C@H](C(C)(C)C)C1 ZINC000621725682 370477423 /nfs/dbraw/zinc/47/74/23/370477423.db2.gz XWYKZXYUXOGHTN-ZDUSSCGKSA-N 0 3 247.386 3.043 20 0 BGADHN Cc1nccnc1CN(C)[C@H](C)C1CCCCC1 ZINC000621726207 370478249 /nfs/dbraw/zinc/47/82/49/370478249.db2.gz OGKALTIBEHMOSW-CYBMUJFWSA-N 0 3 247.386 3.186 20 0 BGADHN CCCC[C@H](NCc1nccnc1C)C1CCC1 ZINC000621727809 370480017 /nfs/dbraw/zinc/48/00/17/370480017.db2.gz RDPHVVDOMXDXTA-AWEZNQCLSA-N 0 3 247.386 3.234 20 0 BGADHN CCCC[C@@H](NCc1nccnc1C)C1CCC1 ZINC000621727810 370480480 /nfs/dbraw/zinc/48/04/80/370480480.db2.gz RDPHVVDOMXDXTA-CQSZACIVSA-N 0 3 247.386 3.234 20 0 BGADHN CCCc1ccc(CN(C)C[C@@H](C)OC)s1 ZINC000621727874 370478323 /nfs/dbraw/zinc/47/83/23/370478323.db2.gz UJDKALNQETUALZ-LLVKDONJSA-N 0 3 241.400 3.167 20 0 BGADHN CCCc1ccc(CN(C)C[C@H](C)OC)s1 ZINC000621727875 370478841 /nfs/dbraw/zinc/47/88/41/370478841.db2.gz UJDKALNQETUALZ-NSHDSACASA-N 0 3 241.400 3.167 20 0 BGADHN CCOc1cncc(CN2[C@H](CC)CC[C@@H]2C)c1 ZINC000621728205 370480157 /nfs/dbraw/zinc/48/01/57/370480157.db2.gz GZKMOSXCCOALTJ-GXTWGEPZSA-N 0 3 248.370 3.243 20 0 BGADHN CCOc1cncc(CN2[C@@H](C)CC[C@@H]2CC)c1 ZINC000621728206 370480122 /nfs/dbraw/zinc/48/01/22/370480122.db2.gz GZKMOSXCCOALTJ-JSGCOSHPSA-N 0 3 248.370 3.243 20 0 BGADHN CCOc1cncc(CN2[C@H](C)CC[C@@H]2CC)c1 ZINC000621728207 370480187 /nfs/dbraw/zinc/48/01/87/370480187.db2.gz GZKMOSXCCOALTJ-OCCSQVGLSA-N 0 3 248.370 3.243 20 0 BGADHN CCOc1cncc(CN2[C@H](C)CC[C@H]2CC)c1 ZINC000621728208 370480174 /nfs/dbraw/zinc/48/01/74/370480174.db2.gz GZKMOSXCCOALTJ-TZMCWYRMSA-N 0 3 248.370 3.243 20 0 BGADHN Cc1nccnc1CN1CC[C@H](CC(C)(C)C)C1 ZINC000621730265 370483529 /nfs/dbraw/zinc/48/35/29/370483529.db2.gz GFPCDGNRNRGXLX-CYBMUJFWSA-N 0 3 247.386 3.043 20 0 BGADHN Cc1nccnc1CN1CC[C@@H](CC(C)(C)C)C1 ZINC000621730266 370483496 /nfs/dbraw/zinc/48/34/96/370483496.db2.gz GFPCDGNRNRGXLX-ZDUSSCGKSA-N 0 3 247.386 3.043 20 0 BGADHN Cc1nccnc1CN(C(C)C)C1CC(C)(C)C1 ZINC000621730900 370484901 /nfs/dbraw/zinc/48/49/01/370484901.db2.gz YFMKAMDWUUDZMK-UHFFFAOYSA-N 0 3 247.386 3.184 20 0 BGADHN CCOc1cncc(CN2CC(C)(C)C[C@H]2C)c1 ZINC000621731137 370484898 /nfs/dbraw/zinc/48/48/98/370484898.db2.gz BOTSMJIXNREQGY-GFCCVEGCSA-N 0 3 248.370 3.101 20 0 BGADHN CCOc1cncc(CN2CC(C)(C)C[C@@H]2C)c1 ZINC000621731138 370484910 /nfs/dbraw/zinc/48/49/10/370484910.db2.gz BOTSMJIXNREQGY-LBPRGKRZSA-N 0 3 248.370 3.101 20 0 BGADHN CCOc1cncc(CN2CC[C@@H](C)C[C@H]2C)c1 ZINC000621731297 370484731 /nfs/dbraw/zinc/48/47/31/370484731.db2.gz JCYUURVAWSSVKK-CHWSQXEVSA-N 0 3 248.370 3.101 20 0 BGADHN CCOc1cncc(CN(C)C2CC(C)(C)C2)c1 ZINC000621731713 370485442 /nfs/dbraw/zinc/48/54/42/370485442.db2.gz XOAAKXQVLQXOJE-UHFFFAOYSA-N 0 3 248.370 3.101 20 0 BGADHN CCCN(Cc1cncc(OCC)c1)C(C)C ZINC000621732145 370486334 /nfs/dbraw/zinc/48/63/34/370486334.db2.gz PQAHNXIVPBABIZ-UHFFFAOYSA-N 0 3 236.359 3.101 20 0 BGADHN CCC(CC)CCCN(C)Cc1nccnc1C ZINC000621732551 370487792 /nfs/dbraw/zinc/48/77/92/370487792.db2.gz GHRNYVSXJCFKKX-UHFFFAOYSA-N 0 3 249.402 3.433 20 0 BGADHN CCC1(CC)CCCN(Cc2nccnc2C)C1 ZINC000621732685 370487173 /nfs/dbraw/zinc/48/71/73/370487173.db2.gz NCWRCXVOKOFPPG-UHFFFAOYSA-N 0 3 247.386 3.187 20 0 BGADHN COc1ccc(F)c(CN[C@@H]2CC=C(C)CC2)c1 ZINC000621733332 343883792 /nfs/dbraw/zinc/88/37/92/343883792.db2.gz IUKCVBCFHIIMIK-CYBMUJFWSA-N 0 3 249.329 3.423 20 0 BGADHN COc1ccc(F)c(CN[C@H]2CC=C(C)CC2)c1 ZINC000621733333 343883582 /nfs/dbraw/zinc/88/35/82/343883582.db2.gz IUKCVBCFHIIMIK-ZDUSSCGKSA-N 0 3 249.329 3.423 20 0 BGADHN COc1ccc(F)c(CN[C@H]2CCCC23CC3)c1 ZINC000621733516 370488910 /nfs/dbraw/zinc/48/89/10/370488910.db2.gz OSALKXXOEUPHJE-AWEZNQCLSA-N 0 3 249.329 3.257 20 0 BGADHN COc1ccc(F)c(CN[C@@H]2CCCC23CC3)c1 ZINC000621733517 370488759 /nfs/dbraw/zinc/48/87/59/370488759.db2.gz OSALKXXOEUPHJE-CQSZACIVSA-N 0 3 249.329 3.257 20 0 BGADHN CC[C@H]1CC[C@@H]1NCc1cc(OC)ccc1F ZINC000621733631 370489551 /nfs/dbraw/zinc/48/95/51/370489551.db2.gz SGULMOPUBLMCRO-HZMBPMFUSA-N 0 3 237.318 3.113 20 0 BGADHN CC[C@H]1CC[C@H]1NCc1cc(OC)ccc1F ZINC000621733632 370489851 /nfs/dbraw/zinc/48/98/51/370489851.db2.gz SGULMOPUBLMCRO-IINYFYTJSA-N 0 3 237.318 3.113 20 0 BGADHN CC[C@@H]1CC[C@H]1NCc1cc(OC)ccc1F ZINC000621733633 370489317 /nfs/dbraw/zinc/48/93/17/370489317.db2.gz SGULMOPUBLMCRO-QMTHXVAHSA-N 0 3 237.318 3.113 20 0 BGADHN CC[C@@H]1CC[C@@H]1NCc1cc(OC)ccc1F ZINC000621733634 370489895 /nfs/dbraw/zinc/48/98/95/370489895.db2.gz SGULMOPUBLMCRO-YGRLFVJLSA-N 0 3 237.318 3.113 20 0 BGADHN CCCN(CCOCC)Cc1ccccc1F ZINC000621735057 370483177 /nfs/dbraw/zinc/48/31/77/370483177.db2.gz UJLNMOOIKANPNW-UHFFFAOYSA-N 0 3 239.334 3.074 20 0 BGADHN CC1(CN2CC(C)(c3ccccc3)C2)CC1 ZINC000621735468 370492600 /nfs/dbraw/zinc/49/26/00/370492600.db2.gz KBBITARJJWLDQP-UHFFFAOYSA-N 0 3 215.340 3.060 20 0 BGADHN CC1(c2ccccc2)CN(C[C@H]2CCSC2)C1 ZINC000621736010 370492655 /nfs/dbraw/zinc/49/26/55/370492655.db2.gz WGZLUWLXELHYLZ-CYBMUJFWSA-N 0 3 247.407 3.013 20 0 BGADHN CC1(c2ccccc2)CN(C[C@@H]2CCSC2)C1 ZINC000621736011 370492958 /nfs/dbraw/zinc/49/29/58/370492958.db2.gz WGZLUWLXELHYLZ-ZDUSSCGKSA-N 0 3 247.407 3.013 20 0 BGADHN Cc1nc([C@@H](C)NCC2CC(C)C2)c(C)s1 ZINC000621739359 370496809 /nfs/dbraw/zinc/49/68/09/370496809.db2.gz FKARSLAENBSASK-NBBOBHDQSA-N 0 3 238.400 3.457 20 0 BGADHN Cc1nc([C@H](C)NCC2CC(C)C2)c(C)s1 ZINC000621739360 370496884 /nfs/dbraw/zinc/49/68/84/370496884.db2.gz FKARSLAENBSASK-XEVUQIKYSA-N 0 3 238.400 3.457 20 0 BGADHN Cc1ccsc1CN1CC(CC2CC2)C1 ZINC000621740157 370498695 /nfs/dbraw/zinc/49/86/95/370498695.db2.gz ARIKYHCARBYPFA-UHFFFAOYSA-N 0 3 221.369 3.288 20 0 BGADHN COc1cc(C)ccc1CN1CC(CC2CC2)C1 ZINC000621740263 370498004 /nfs/dbraw/zinc/49/80/04/370498004.db2.gz GXKXGJHJKMSQDJ-UHFFFAOYSA-N 0 3 245.366 3.236 20 0 BGADHN COCc1cccc(CN2CC(CC3CC3)C2)c1 ZINC000621740275 370495165 /nfs/dbraw/zinc/49/51/65/370495165.db2.gz IBDJGIPMGAUWDI-UHFFFAOYSA-N 0 3 245.366 3.065 20 0 BGADHN c1nc(C2CC2)c(CN2CC(CC3CC3)C2)s1 ZINC000621740284 370499351 /nfs/dbraw/zinc/49/93/51/370499351.db2.gz IJJNLPWPSOHIDN-UHFFFAOYSA-N 0 3 248.395 3.252 20 0 BGADHN Cc1cc(CN2CC(CC3CC3)C2)cc(C)c1O ZINC000621740286 370499432 /nfs/dbraw/zinc/49/94/32/370499432.db2.gz IKMITBTZYZNOFC-UHFFFAOYSA-N 0 3 245.366 3.241 20 0 BGADHN c1c2cccnc2oc1CN1CC(CC2CC2)C1 ZINC000621740292 370499306 /nfs/dbraw/zinc/49/93/06/370499306.db2.gz IPFAGZVIZVOPBS-UHFFFAOYSA-N 0 3 242.322 3.060 20 0 BGADHN COc1cc(CN2CC(CC3CC3)C2)ccc1C ZINC000621740309 343887500 /nfs/dbraw/zinc/88/75/00/343887500.db2.gz JMFHYGQWIYZUTH-UHFFFAOYSA-N 0 3 245.366 3.236 20 0 BGADHN c1c2ccccc2[nH]c1CN1CC(CC2CC2)C1 ZINC000621740344 370499495 /nfs/dbraw/zinc/49/94/95/370499495.db2.gz LAACCDKVXHAAKA-UHFFFAOYSA-N 0 3 240.350 3.400 20 0 BGADHN C(=C\c1ccccc1)\CN1CC(CC2CC2)C1 ZINC000621740363 370499438 /nfs/dbraw/zinc/49/94/38/370499438.db2.gz LZZZFTKXUPYLBN-DAXSKMNVSA-N 0 3 227.351 3.432 20 0 BGADHN C(=C/c1ccccc1)\CN1CC(CC2CC2)C1 ZINC000621740364 370499480 /nfs/dbraw/zinc/49/94/80/370499480.db2.gz LZZZFTKXUPYLBN-QPJJXVBHSA-N 0 3 227.351 3.432 20 0 BGADHN COCc1ccc(CN2CC(CC3CC3)C2)cc1 ZINC000621740448 370499322 /nfs/dbraw/zinc/49/93/22/370499322.db2.gz QLRSOFMKHIOZHD-UHFFFAOYSA-N 0 3 245.366 3.065 20 0 BGADHN Cc1sccc1CN1CC(CC2CC2)C1 ZINC000621740451 370499798 /nfs/dbraw/zinc/49/97/98/370499798.db2.gz QNCLEMHRIWQUBN-UHFFFAOYSA-N 0 3 221.369 3.288 20 0 BGADHN COc1ccc(CN2CC(CC3CC3)C2)cc1C ZINC000621740479 370499396 /nfs/dbraw/zinc/49/93/96/370499396.db2.gz SGBVROCGWFDWIR-UHFFFAOYSA-N 0 3 245.366 3.236 20 0 BGADHN c1c2cnccc2oc1CN1CC(CC2CC2)C1 ZINC000621740482 370499310 /nfs/dbraw/zinc/49/93/10/370499310.db2.gz SIWQLWTVPBGYEG-UHFFFAOYSA-N 0 3 242.322 3.060 20 0 BGADHN COc1ccc(C)cc1CN1CC(CC2CC2)C1 ZINC000621740497 370499907 /nfs/dbraw/zinc/49/99/07/370499907.db2.gz TXVSEYVYRWJOTM-UHFFFAOYSA-N 0 3 245.366 3.236 20 0 BGADHN Cc1cc(CN2CC(CC3CC3)C2)cs1 ZINC000621740524 370499409 /nfs/dbraw/zinc/49/94/09/370499409.db2.gz UXRPGJHHXKNGAJ-UHFFFAOYSA-N 0 3 221.369 3.288 20 0 BGADHN C[C@H](Cc1ccsc1)N1CC(CC2CC2)C1 ZINC000621740572 370499532 /nfs/dbraw/zinc/49/95/32/370499532.db2.gz XGKVSDBBOUYADU-LLVKDONJSA-N 0 3 235.396 3.411 20 0 BGADHN C[C@@H](Cc1ccsc1)N1CC(CC2CC2)C1 ZINC000621740573 370499470 /nfs/dbraw/zinc/49/94/70/370499470.db2.gz XGKVSDBBOUYADU-NSHDSACASA-N 0 3 235.396 3.411 20 0 BGADHN Cc1ccc(CN2CC(CC3CC3)C2)s1 ZINC000621740615 370500916 /nfs/dbraw/zinc/50/09/16/370500916.db2.gz ZLCMLMHFUKZIBX-UHFFFAOYSA-N 0 3 221.369 3.288 20 0 BGADHN CCOc1cccc(CN2CC(CC3CC3)C2)c1 ZINC000621741107 370501436 /nfs/dbraw/zinc/50/14/36/370501436.db2.gz BYTMUJFXJXBBPJ-UHFFFAOYSA-N 0 3 245.366 3.317 20 0 BGADHN CC1(CN2CC(Cc3ccsc3)C2)CC1 ZINC000621741163 370500575 /nfs/dbraw/zinc/50/05/75/370500575.db2.gz FIWOLFXHJOMNRH-UHFFFAOYSA-N 0 3 221.369 3.023 20 0 BGADHN CCOc1ccccc1CN1CC(CC2CC2)C1 ZINC000621741221 370500417 /nfs/dbraw/zinc/50/04/17/370500417.db2.gz IMUWSWHVLAHORR-UHFFFAOYSA-N 0 3 245.366 3.317 20 0 BGADHN Fc1ccc(CN2CC(CC3CC3)C2)cc1 ZINC000621741236 370500487 /nfs/dbraw/zinc/50/04/87/370500487.db2.gz JCIOHIOGDRWJJO-UHFFFAOYSA-N 0 3 219.303 3.058 20 0 BGADHN CC1(CN2CC(Cc3ccsc3)C2)CCC1 ZINC000621741345 370500979 /nfs/dbraw/zinc/50/09/79/370500979.db2.gz NLLKIMYAFCHANL-UHFFFAOYSA-N 0 3 235.396 3.413 20 0 BGADHN c1csc(CN2CC(Cc3ccsc3)C2)c1 ZINC000621741433 370500473 /nfs/dbraw/zinc/50/04/73/370500473.db2.gz RNFSJGPXOZDQCT-UHFFFAOYSA-N 0 3 249.404 3.484 20 0 BGADHN c1cc(CC2CN(Cc3ccccc3)C2)cs1 ZINC000621741521 370500960 /nfs/dbraw/zinc/50/09/60/370500960.db2.gz XHPAXGPKCIPRNO-UHFFFAOYSA-N 0 3 243.375 3.423 20 0 BGADHN Fc1cccc(CN2CC(CC3CC3)C2)c1 ZINC000621741535 370500885 /nfs/dbraw/zinc/50/08/85/370500885.db2.gz YFNYOODRWDUBCE-UHFFFAOYSA-N 0 3 219.303 3.058 20 0 BGADHN CCOc1ccc(CN2CC(CC3CC3)C2)cc1 ZINC000621741567 370501020 /nfs/dbraw/zinc/50/10/20/370501020.db2.gz ZPXTXPTUWLYYAV-UHFFFAOYSA-N 0 3 245.366 3.317 20 0 BGADHN COc1ccc(F)c(CN[C@H]2CCC23CCC3)c1 ZINC000621766097 370508738 /nfs/dbraw/zinc/50/87/38/370508738.db2.gz MIKOVUOXEDTJSO-AWEZNQCLSA-N 0 3 249.329 3.257 20 0 BGADHN COc1ccc(F)c(CN[C@@H]2CCC23CCC3)c1 ZINC000621766098 370507894 /nfs/dbraw/zinc/50/78/94/370507894.db2.gz MIKOVUOXEDTJSO-CQSZACIVSA-N 0 3 249.329 3.257 20 0 BGADHN Cc1nc([C@@H](C)NCC[C@H]2CC2(F)F)cs1 ZINC000621767841 370509530 /nfs/dbraw/zinc/50/95/30/370509530.db2.gz JUVOPNNCQQEUAS-APPZFPTMSA-N 0 3 246.326 3.147 20 0 BGADHN Cc1nc([C@H](C)NCC[C@H]2CC2(F)F)cs1 ZINC000621767842 370509628 /nfs/dbraw/zinc/50/96/28/370509628.db2.gz JUVOPNNCQQEUAS-CBAPKCEASA-N 0 3 246.326 3.147 20 0 BGADHN Cc1nc([C@H](C)NCC[C@@H]2CC2(F)F)cs1 ZINC000621767843 370509540 /nfs/dbraw/zinc/50/95/40/370509540.db2.gz JUVOPNNCQQEUAS-IONNQARKSA-N 0 3 246.326 3.147 20 0 BGADHN Cc1nc([C@@H](C)NCC[C@@H]2CC2(F)F)cs1 ZINC000621767844 370508190 /nfs/dbraw/zinc/50/81/90/370508190.db2.gz JUVOPNNCQQEUAS-VXNVDRBHSA-N 0 3 246.326 3.147 20 0 BGADHN Cc1ccc([C@@H](C)NCC[C@@H]2CC2(F)F)o1 ZINC000621769607 370513044 /nfs/dbraw/zinc/51/30/44/370513044.db2.gz DPARSMDLKMQVQX-NXEZZACHSA-N 0 3 229.270 3.284 20 0 BGADHN Cc1ccc([C@H](C)NCC[C@H]2CC2(F)F)o1 ZINC000621769608 370512361 /nfs/dbraw/zinc/51/23/61/370512361.db2.gz DPARSMDLKMQVQX-UWVGGRQHSA-N 0 3 229.270 3.284 20 0 BGADHN Cc1ccc([C@H](C)NCC[C@@H]2CC2(F)F)o1 ZINC000621769609 370508709 /nfs/dbraw/zinc/50/87/09/370508709.db2.gz DPARSMDLKMQVQX-VHSXEESVSA-N 0 3 229.270 3.284 20 0 BGADHN Cc1ccc([C@@H](C)NCC[C@H]2CC2(F)F)o1 ZINC000621769610 370508331 /nfs/dbraw/zinc/50/83/31/370508331.db2.gz DPARSMDLKMQVQX-ZJUUUORDSA-N 0 3 229.270 3.284 20 0 BGADHN C[C@@H](NCC1CC(C)C1)c1ccncc1Cl ZINC000621770480 370513086 /nfs/dbraw/zinc/51/30/86/370513086.db2.gz RWXLNYWUPLWIAB-HSOILSAZSA-N 0 3 238.762 3.432 20 0 BGADHN C[C@H](NCC1CC(C)C1)c1ccncc1Cl ZINC000621770481 370512793 /nfs/dbraw/zinc/51/27/93/370512793.db2.gz RWXLNYWUPLWIAB-YVNMAJEFSA-N 0 3 238.762 3.432 20 0 BGADHN Cc1nc([C@@H](C)NCC2CC(C)C2)cs1 ZINC000621770835 370513683 /nfs/dbraw/zinc/51/36/83/370513683.db2.gz YHIJIFLQEUBDLS-INWMGODYSA-N 0 3 224.373 3.148 20 0 BGADHN Cc1nc([C@H](C)NCC2CC(C)C2)cs1 ZINC000621770836 370508395 /nfs/dbraw/zinc/50/83/95/370508395.db2.gz YHIJIFLQEUBDLS-YUCVTWSNSA-N 0 3 224.373 3.148 20 0 BGADHN Cc1ccc([C@@H](C)NCC2CC(C)C2)o1 ZINC000621771846 343897321 /nfs/dbraw/zinc/89/73/21/343897321.db2.gz ORQMXLPKMLCKQP-CKBZRRDASA-N 0 3 207.317 3.285 20 0 BGADHN Cc1ccc([C@H](C)NCC2CC(C)C2)o1 ZINC000621771847 343897230 /nfs/dbraw/zinc/89/72/30/343897230.db2.gz ORQMXLPKMLCKQP-ZYXZCXLHSA-N 0 3 207.317 3.285 20 0 BGADHN C[C@@H](NCC1CC(C)C1)c1ccc(Cl)cn1 ZINC000621771864 370514563 /nfs/dbraw/zinc/51/45/63/370514563.db2.gz PKVHRUHOHISRAH-HSOILSAZSA-N 0 3 238.762 3.432 20 0 BGADHN C[C@H](NCC1CC(C)C1)c1ccc(Cl)cn1 ZINC000621771865 343897176 /nfs/dbraw/zinc/89/71/76/343897176.db2.gz PKVHRUHOHISRAH-YVNMAJEFSA-N 0 3 238.762 3.432 20 0 BGADHN C[C@H](NCC1CC(C)C1)c1cn2ccccc2n1 ZINC000621772083 370708619 /nfs/dbraw/zinc/70/86/19/370708619.db2.gz XKHPXBMMBTUVIR-CPCZMJQVSA-N 0 3 243.354 3.031 20 0 BGADHN C[C@@H](NCC1CC(C)C1)c1cn2ccccc2n1 ZINC000621772084 370708418 /nfs/dbraw/zinc/70/84/18/370708418.db2.gz XKHPXBMMBTUVIR-OTTFEQOBSA-N 0 3 243.354 3.031 20 0 BGADHN CCCc1ccc(CNc2nccn2C)s1 ZINC000622002671 370653846 /nfs/dbraw/zinc/65/38/46/370653846.db2.gz SXMFXAKVTVERAP-UHFFFAOYSA-N 0 3 235.356 3.046 20 0 BGADHN CC[C@@H](c1ccccc1)N1CCO[C@H](CC)C1 ZINC000622260781 370808668 /nfs/dbraw/zinc/80/86/68/370808668.db2.gz LRIKPWDYDMICCE-CABCVRRESA-N 0 3 233.355 3.249 20 0 BGADHN CC[C@@H](c1ccccc1)N1CCO[C@@H](CC)C1 ZINC000622260782 370808735 /nfs/dbraw/zinc/80/87/35/370808735.db2.gz LRIKPWDYDMICCE-GJZGRUSLSA-N 0 3 233.355 3.249 20 0 BGADHN CC[C@H](c1ccccc1)N1CCO[C@H](CC)C1 ZINC000622260783 370808588 /nfs/dbraw/zinc/80/85/88/370808588.db2.gz LRIKPWDYDMICCE-HUUCEWRRSA-N 0 3 233.355 3.249 20 0 BGADHN Cc1ccccc1N(C)C(=O)C(C)C(F)(F)F ZINC000623011964 346406435 /nfs/dbraw/zinc/40/64/35/346406435.db2.gz CXBSBKSFRVWSNK-SECBINFHSA-N 0 3 245.244 3.156 20 0 BGADHN Cc1ccccc1N(C)C(=O)C(C)C(F)(F)F ZINC000623011965 346406240 /nfs/dbraw/zinc/40/62/40/346406240.db2.gz CXBSBKSFRVWSNK-VIFPVBQESA-N 0 3 245.244 3.156 20 0 BGADHN CC[C@H](CNCc1cc(C)no1)c1ccccc1 ZINC000623015661 346581598 /nfs/dbraw/zinc/58/15/98/346581598.db2.gz FOIICZBTQLCQGY-CYBMUJFWSA-N 0 3 244.338 3.266 20 0 BGADHN CC[C@@H](CNCc1cc(C)no1)c1ccccc1 ZINC000623015662 346581399 /nfs/dbraw/zinc/58/13/99/346581399.db2.gz FOIICZBTQLCQGY-ZDUSSCGKSA-N 0 3 244.338 3.266 20 0 BGADHN Cc1nc2ccccc2nc1CNCC(C)(C)C ZINC000623051830 349013464 /nfs/dbraw/zinc/01/34/64/349013464.db2.gz XMUPERWDDZOLAX-UHFFFAOYSA-N 0 3 243.354 3.074 20 0 BGADHN CCN(CCC(C)C)CCC(F)(F)F ZINC000623120710 351052471 /nfs/dbraw/zinc/05/24/71/351052471.db2.gz HXDDMKZCKDOZBG-UHFFFAOYSA-N 0 3 211.271 3.307 20 0 BGADHN CCC1(C)CCC(N2CCc3n[nH]cc3C2)CC1 ZINC000623238650 355383171 /nfs/dbraw/zinc/38/31/71/355383171.db2.gz OOEUAEUMTABKED-UHFFFAOYSA-N 0 3 247.386 3.127 20 0 BGADHN CCCC1CCC(N2CCc3n[nH]cc3C2)CC1 ZINC000623238666 355383249 /nfs/dbraw/zinc/38/32/49/355383249.db2.gz OXVSHPHYPMUAGE-UHFFFAOYSA-N 0 3 247.386 3.127 20 0 BGADHN CC(C)CC(CC(C)C)N1CCc2n[nH]cc2C1 ZINC000623240189 355413531 /nfs/dbraw/zinc/41/35/31/355413531.db2.gz CHKSKAHPGVROLH-UHFFFAOYSA-N 0 3 249.402 3.229 20 0 BGADHN C[C@H](CCC1CCCC1)N1CCc2n[nH]cc2C1 ZINC000623241049 355474686 /nfs/dbraw/zinc/47/46/86/355474686.db2.gz FQBORNTYKBTGSL-GFCCVEGCSA-N 0 3 247.386 3.127 20 0 BGADHN C[C@@H](CCC1CCCC1)N1CCc2n[nH]cc2C1 ZINC000623241050 355475079 /nfs/dbraw/zinc/47/50/79/355475079.db2.gz FQBORNTYKBTGSL-LBPRGKRZSA-N 0 3 247.386 3.127 20 0 BGADHN CC(C)C[C@@H](C)C[C@@H](C)N1CCc2n[nH]cc2C1 ZINC000623241074 355476701 /nfs/dbraw/zinc/47/67/01/355476701.db2.gz GGRUOZWYSTZEJK-CHWSQXEVSA-N 0 3 249.402 3.229 20 0 BGADHN CC(C)C[C@@H](C)C[C@H](C)N1CCc2n[nH]cc2C1 ZINC000623241075 355476732 /nfs/dbraw/zinc/47/67/32/355476732.db2.gz GGRUOZWYSTZEJK-OLZOCXBDSA-N 0 3 249.402 3.229 20 0 BGADHN CC(C)C[C@H](C)C[C@@H](C)N1CCc2n[nH]cc2C1 ZINC000623241076 355476678 /nfs/dbraw/zinc/47/66/78/355476678.db2.gz GGRUOZWYSTZEJK-QWHCGFSZSA-N 0 3 249.402 3.229 20 0 BGADHN CC(C)C[C@H](C)C[C@H](C)N1CCc2n[nH]cc2C1 ZINC000623241077 355476833 /nfs/dbraw/zinc/47/68/33/355476833.db2.gz GGRUOZWYSTZEJK-STQMWFEESA-N 0 3 249.402 3.229 20 0 BGADHN c1[nH]nc2c1CN(CCCC1CCCCC1)CC2 ZINC000623241079 355476375 /nfs/dbraw/zinc/47/63/75/355476375.db2.gz GKEUXBSJHPBLAA-UHFFFAOYSA-N 0 3 247.386 3.128 20 0 BGADHN CCCC[C@@H]1CCC[C@@H]1N1CCc2n[nH]cc2C1 ZINC000623241620 355490782 /nfs/dbraw/zinc/49/07/82/355490782.db2.gz ZWKKYDNVUSFLJE-DOMZBBRYSA-N 0 3 247.386 3.127 20 0 BGADHN CCCC[C@@H]1CCC[C@H]1N1CCc2n[nH]cc2C1 ZINC000623241621 355491190 /nfs/dbraw/zinc/49/11/90/355491190.db2.gz ZWKKYDNVUSFLJE-IUODEOHRSA-N 0 3 247.386 3.127 20 0 BGADHN CCCC[C@H]1CCC[C@H]1N1CCc2n[nH]cc2C1 ZINC000623241622 355491007 /nfs/dbraw/zinc/49/10/07/355491007.db2.gz ZWKKYDNVUSFLJE-SWLSCSKDSA-N 0 3 247.386 3.127 20 0 BGADHN CCCC[C@H]1CCC[C@@H]1N1CCc2n[nH]cc2C1 ZINC000623241623 355490809 /nfs/dbraw/zinc/49/08/09/355490809.db2.gz ZWKKYDNVUSFLJE-WFASDCNBSA-N 0 3 247.386 3.127 20 0 BGADHN C[C@H](C1CCCCCC1)N1CCc2n[nH]cc2C1 ZINC000623242068 355542421 /nfs/dbraw/zinc/54/24/21/355542421.db2.gz OCLMVJXHKUPKQE-GFCCVEGCSA-N 0 3 247.386 3.127 20 0 BGADHN C[C@@H](C1CCCCCC1)N1CCc2n[nH]cc2C1 ZINC000623242069 355542393 /nfs/dbraw/zinc/54/23/93/355542393.db2.gz OCLMVJXHKUPKQE-LBPRGKRZSA-N 0 3 247.386 3.127 20 0 BGADHN CCC[C@@H](C1CCCC1)N1CCc2n[nH]cc2C1 ZINC000623243451 355607885 /nfs/dbraw/zinc/60/78/85/355607885.db2.gz BKXYVJXKFNEGEG-HNNXBMFYSA-N 0 3 247.386 3.127 20 0 BGADHN CCC[C@H](C1CCCC1)N1CCc2n[nH]cc2C1 ZINC000623243452 355607831 /nfs/dbraw/zinc/60/78/31/355607831.db2.gz BKXYVJXKFNEGEG-OAHLLOKOSA-N 0 3 247.386 3.127 20 0 BGADHN CC[C@H]1CCC[C@@H](N2CCc3n[nH]cc3C2)CC1 ZINC000623243946 355617428 /nfs/dbraw/zinc/61/74/28/355617428.db2.gz VJPDHGYISUXERO-GXTWGEPZSA-N 0 3 247.386 3.127 20 0 BGADHN CC[C@H]1CCC[C@H](N2CCc3n[nH]cc3C2)CC1 ZINC000623243947 355617832 /nfs/dbraw/zinc/61/78/32/355617832.db2.gz VJPDHGYISUXERO-JSGCOSHPSA-N 0 3 247.386 3.127 20 0 BGADHN CC[C@@H]1CCC[C@H](N2CCc3n[nH]cc3C2)CC1 ZINC000623243948 355617375 /nfs/dbraw/zinc/61/73/75/355617375.db2.gz VJPDHGYISUXERO-OCCSQVGLSA-N 0 3 247.386 3.127 20 0 BGADHN CC[C@@H]1CCC[C@@H](N2CCc3n[nH]cc3C2)CC1 ZINC000623243949 355617871 /nfs/dbraw/zinc/61/78/71/355617871.db2.gz VJPDHGYISUXERO-TZMCWYRMSA-N 0 3 247.386 3.127 20 0 BGADHN CC1(C)CCC[C@@H](N2CCc3n[nH]cc3C2)CC1 ZINC000623244022 355611912 /nfs/dbraw/zinc/61/19/12/355611912.db2.gz XHQWBLSRZRRISU-CYBMUJFWSA-N 0 3 247.386 3.127 20 0 BGADHN CC1(C)CCC[C@H](N2CCc3n[nH]cc3C2)CC1 ZINC000623244023 355611613 /nfs/dbraw/zinc/61/16/13/355611613.db2.gz XHQWBLSRZRRISU-ZDUSSCGKSA-N 0 3 247.386 3.127 20 0 BGADHN CCCNCc1csc(C(F)(F)F)c1 ZINC000623335320 356717356 /nfs/dbraw/zinc/71/73/56/356717356.db2.gz HNDNFQICJXJOCH-UHFFFAOYSA-N 0 3 223.263 3.267 20 0 BGADHN FC(F)(F)c1cc(CNC2CC2)cs1 ZINC000623336014 356720606 /nfs/dbraw/zinc/72/06/06/356720606.db2.gz QJRUODFRJCMKFM-UHFFFAOYSA-N 0 3 221.247 3.019 20 0 BGADHN CCC(F)(F)C(C)(C)CNCc1ccccn1 ZINC000623336052 356721737 /nfs/dbraw/zinc/72/17/37/356721737.db2.gz SMDNUERYFDTKSG-UHFFFAOYSA-N 0 3 242.313 3.243 20 0 BGADHN CCC(F)(F)C(C)(C)CNCc1cccnc1 ZINC000623336075 356721720 /nfs/dbraw/zinc/72/17/20/356721720.db2.gz UKXQKUFRWAXNAH-UHFFFAOYSA-N 0 3 242.313 3.243 20 0 BGADHN CC(C)NCc1csc(C(F)(F)F)c1 ZINC000623337077 356729421 /nfs/dbraw/zinc/72/94/21/356729421.db2.gz SRDGVAWSDUUZML-UHFFFAOYSA-N 0 3 223.263 3.265 20 0 BGADHN CCC(F)(F)C(C)(C)CNCc1ccco1 ZINC000623337212 356730001 /nfs/dbraw/zinc/73/00/01/356730001.db2.gz ZZFKNACGNPBDIF-UHFFFAOYSA-N 0 3 231.286 3.441 20 0 BGADHN C[C@H](NCc1ccc(Cl)o1)[C@@H]1C[C@H]1C1CC1 ZINC000623340123 387375464 /nfs/dbraw/zinc/37/54/64/387375464.db2.gz YTYIVNVAKHQMQL-UWJYBYFXSA-N 0 3 239.746 3.457 20 0 BGADHN C[C@@H](NCc1ccc(Cl)o1)[C@@H]1C[C@H]1C1CC1 ZINC000623340124 387374226 /nfs/dbraw/zinc/37/42/26/387374226.db2.gz YTYIVNVAKHQMQL-ZHAHWJHGSA-N 0 3 239.746 3.457 20 0 BGADHN FC(F)(F)c1cc(CNCC2CC2)cs1 ZINC000623352520 356777697 /nfs/dbraw/zinc/77/76/97/356777697.db2.gz DVJMQFYXZGLAGE-UHFFFAOYSA-N 0 3 235.274 3.267 20 0 BGADHN CCC(F)(F)C(C)(C)CNCc1nccs1 ZINC000623364520 356823219 /nfs/dbraw/zinc/82/32/19/356823219.db2.gz BEUDAWHJYSZCNS-UHFFFAOYSA-N 0 3 248.342 3.304 20 0 BGADHN COc1cc(CN[C@@H]2CC2(C)C)ccc1Cl ZINC000623371874 356881054 /nfs/dbraw/zinc/88/10/54/356881054.db2.gz XDFDXOTWYSMWBJ-GFCCVEGCSA-N 0 3 239.746 3.237 20 0 BGADHN COc1cc(CN[C@H]2CC2(C)C)ccc1Cl ZINC000623371875 356880938 /nfs/dbraw/zinc/88/09/38/356880938.db2.gz XDFDXOTWYSMWBJ-LBPRGKRZSA-N 0 3 239.746 3.237 20 0 BGADHN CCC(F)(F)C(C)(C)CNCc1cc(C)no1 ZINC000623403772 357076997 /nfs/dbraw/zinc/07/69/97/357076997.db2.gz HBDSWDWFBMSXLI-UHFFFAOYSA-N 0 3 246.301 3.144 20 0 BGADHN Cc1noc(C)c1[C@H](C)N[C@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000623418919 358074405 /nfs/dbraw/zinc/07/44/05/358074405.db2.gz LFOUORLWSLCHJR-GHSKTYPESA-N 0 3 248.370 3.377 20 0 BGADHN Cc1noc(C)c1[C@@H](C)N[C@@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000623418920 358074480 /nfs/dbraw/zinc/07/44/80/358074480.db2.gz LFOUORLWSLCHJR-WAYYCVMKSA-N 0 3 248.370 3.377 20 0 BGADHN Cc1noc(C)c1[C@H](C)N[C@@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000623418921 358074422 /nfs/dbraw/zinc/07/44/22/358074422.db2.gz LFOUORLWSLCHJR-WBRVRECLSA-N 0 3 248.370 3.377 20 0 BGADHN Cc1noc(C)c1[C@@H](C)N[C@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000623418922 358074409 /nfs/dbraw/zinc/07/44/09/358074409.db2.gz LFOUORLWSLCHJR-ZHMYYEFOSA-N 0 3 248.370 3.377 20 0 BGADHN CC(C)c1cc(CN[C@@H](C)[C@@H]2C[C@H]2C2CC2)on1 ZINC000623419557 358115904 /nfs/dbraw/zinc/11/59/04/358115904.db2.gz NNVSTMRNYHMWHS-BPNCWPANSA-N 0 3 248.370 3.322 20 0 BGADHN CC(C)c1cc(CN[C@H](C)[C@@H]2C[C@H]2C2CC2)on1 ZINC000623419558 358115725 /nfs/dbraw/zinc/11/57/25/358115725.db2.gz NNVSTMRNYHMWHS-SWHYSGLUSA-N 0 3 248.370 3.322 20 0 BGADHN FCCCNCc1csc(C(F)(F)F)c1 ZINC000623453252 359451172 /nfs/dbraw/zinc/45/11/72/359451172.db2.gz GFVJGKPECOIHKO-UHFFFAOYSA-N 0 3 241.253 3.216 20 0 BGADHN FCCCNCc1ccsc1C(F)(F)F ZINC000623453540 359453591 /nfs/dbraw/zinc/45/35/91/359453591.db2.gz UHQUASHLQDGRNZ-UHFFFAOYSA-N 0 3 241.253 3.216 20 0 BGADHN CCC(F)(F)C(C)(C)CN[C@H](C)c1cn[nH]c1 ZINC000623474607 360410480 /nfs/dbraw/zinc/41/04/80/360410480.db2.gz IDOSQUDMVODUTJ-SECBINFHSA-N 0 3 245.317 3.132 20 0 BGADHN CCC(F)(F)C(C)(C)CN[C@@H](C)c1cn[nH]c1 ZINC000623474608 360410407 /nfs/dbraw/zinc/41/04/07/360410407.db2.gz IDOSQUDMVODUTJ-VIFPVBQESA-N 0 3 245.317 3.132 20 0 BGADHN CCC(F)(F)C(C)(C)CNCc1cncs1 ZINC000623491301 362916623 /nfs/dbraw/zinc/91/66/23/362916623.db2.gz NGZNFHURVCGGRR-UHFFFAOYSA-N 0 3 248.342 3.304 20 0 BGADHN Cc1cc(CNC(C)(C)CC(F)(F)F)ccn1 ZINC000623502509 362927376 /nfs/dbraw/zinc/92/73/76/362927376.db2.gz MPXFLYGKSWLWDT-UHFFFAOYSA-N 0 3 246.276 3.211 20 0 BGADHN CC/C=C\CNCc1ccc(Cl)c(OC)c1 ZINC000623537897 362957190 /nfs/dbraw/zinc/95/71/90/362957190.db2.gz MKLSFLLAMURCHJ-PLNGDYQASA-N 0 3 239.746 3.404 20 0 BGADHN CC/C=C/CNCc1ccc(Cl)c(OC)c1 ZINC000623537898 362956780 /nfs/dbraw/zinc/95/67/80/362956780.db2.gz MKLSFLLAMURCHJ-SNAWJCMRSA-N 0 3 239.746 3.404 20 0 BGADHN CCC(F)(F)C(C)(C)CNCc1cnc(C)o1 ZINC000623547567 362966745 /nfs/dbraw/zinc/96/67/45/362966745.db2.gz TXFZTNULSGYTJM-UHFFFAOYSA-N 0 3 246.301 3.144 20 0 BGADHN FC(F)(F)c1sccc1CN[C@@H]1CC12CC2 ZINC000623554721 362974500 /nfs/dbraw/zinc/97/45/00/362974500.db2.gz KWHOPAGSVVZGBP-MRVPVSSYSA-N 0 3 247.285 3.409 20 0 BGADHN FC(F)(F)c1sccc1CN[C@H]1CC12CC2 ZINC000623554722 362974235 /nfs/dbraw/zinc/97/42/35/362974235.db2.gz KWHOPAGSVVZGBP-QMMMGPOBSA-N 0 3 247.285 3.409 20 0 BGADHN FC(F)(F)c1cc(CN[C@@H]2CC23CC3)cs1 ZINC000623554913 362974403 /nfs/dbraw/zinc/97/44/03/362974403.db2.gz VBGGNFXFMVIHJW-MRVPVSSYSA-N 0 3 247.285 3.409 20 0 BGADHN FC(F)(F)c1cc(CN[C@H]2CC23CC3)cs1 ZINC000623554914 362974536 /nfs/dbraw/zinc/97/45/36/362974536.db2.gz VBGGNFXFMVIHJW-QMMMGPOBSA-N 0 3 247.285 3.409 20 0 BGADHN C[C@@H](CNCc1ccncc1Cl)CC(F)F ZINC000623556379 362976997 /nfs/dbraw/zinc/97/69/97/362976997.db2.gz CUXVYCAYUPUFCC-MRVPVSSYSA-N 0 3 248.704 3.116 20 0 BGADHN C[C@H](CNCc1ccncc1Cl)CC(F)F ZINC000623556380 362977609 /nfs/dbraw/zinc/97/76/09/362977609.db2.gz CUXVYCAYUPUFCC-QMMMGPOBSA-N 0 3 248.704 3.116 20 0 BGADHN Clc1cnccc1CNC1CC2(CCC2)C1 ZINC000623560308 362982844 /nfs/dbraw/zinc/98/28/44/362982844.db2.gz AZODNRNCHHKWAV-UHFFFAOYSA-N 0 3 236.746 3.157 20 0 BGADHN CC[C@H](C)CCNCc1ccncc1Cl ZINC000623563795 362988965 /nfs/dbraw/zinc/98/89/65/362988965.db2.gz KBRIABORVVTWTP-JTQLQIEISA-N 0 3 226.751 3.261 20 0 BGADHN CC[C@@H](C)CCNCc1ccncc1Cl ZINC000623563796 362988978 /nfs/dbraw/zinc/98/89/78/362988978.db2.gz KBRIABORVVTWTP-SNVBAGLBSA-N 0 3 226.751 3.261 20 0 BGADHN CCc1nocc1CN[C@@H]1CC12CCCCC2 ZINC000623568841 362996266 /nfs/dbraw/zinc/99/62/66/362996266.db2.gz LISLZJBODGTXJW-CYBMUJFWSA-N 0 3 234.343 3.049 20 0 BGADHN CCc1nocc1CN[C@H]1CC12CCCCC2 ZINC000623568842 362996334 /nfs/dbraw/zinc/99/63/34/362996334.db2.gz LISLZJBODGTXJW-ZDUSSCGKSA-N 0 3 234.343 3.049 20 0 BGADHN Clc1cnccc1CNCCCC1CCC1 ZINC000623570453 362999942 /nfs/dbraw/zinc/99/99/42/362999942.db2.gz SRPMVMZNIIUQGO-UHFFFAOYSA-N 0 3 238.762 3.405 20 0 BGADHN CC[C@@](C)(NCc1ccncc1Cl)C1CC1 ZINC000623571480 363001260 /nfs/dbraw/zinc/00/12/60/363001260.db2.gz YGBYGVQYCQSAGU-CYBMUJFWSA-N 0 3 238.762 3.403 20 0 BGADHN CC[C@](C)(NCc1ccncc1Cl)C1CC1 ZINC000623571481 363001474 /nfs/dbraw/zinc/00/14/74/363001474.db2.gz YGBYGVQYCQSAGU-ZDUSSCGKSA-N 0 3 238.762 3.403 20 0 BGADHN CC1(C)C[C@@]1(C)NCc1ccncc1Cl ZINC000623572851 363003512 /nfs/dbraw/zinc/00/35/12/363003512.db2.gz OZOIUVHVEJVRLL-GFCCVEGCSA-N 0 3 224.735 3.013 20 0 BGADHN CC1(C)C[C@]1(C)NCc1ccncc1Cl ZINC000623572852 363004020 /nfs/dbraw/zinc/00/40/20/363004020.db2.gz OZOIUVHVEJVRLL-LBPRGKRZSA-N 0 3 224.735 3.013 20 0 BGADHN Cc1c[nH]c(CNCC[C@H]2CCCC2(C)C)n1 ZINC000623584143 363018600 /nfs/dbraw/zinc/01/86/00/363018600.db2.gz KONXUXSEZSYXCB-GFCCVEGCSA-N 0 3 235.375 3.024 20 0 BGADHN Cc1c[nH]c(CNCC[C@@H]2CCCC2(C)C)n1 ZINC000623584144 363018554 /nfs/dbraw/zinc/01/85/54/363018554.db2.gz KONXUXSEZSYXCB-LBPRGKRZSA-N 0 3 235.375 3.024 20 0 BGADHN CC1(C)CCC[C@@H]1CCNCc1nccs1 ZINC000623584205 363018402 /nfs/dbraw/zinc/01/84/02/363018402.db2.gz PQKLZPKIKIDUFM-LLVKDONJSA-N 0 3 238.400 3.449 20 0 BGADHN CC1(C)CCC[C@H]1CCNCc1nccs1 ZINC000623584206 363018531 /nfs/dbraw/zinc/01/85/31/363018531.db2.gz PQKLZPKIKIDUFM-NSHDSACASA-N 0 3 238.400 3.449 20 0 BGADHN CC(C)Cc1ccccc1CN[C@@H]1CO[C@@H](C)C1 ZINC000623587360 363020964 /nfs/dbraw/zinc/02/09/64/363020964.db2.gz NTJKAHJLWCOEER-BBRMVZONSA-N 0 3 247.382 3.152 20 0 BGADHN CC(C)Cc1ccccc1CN[C@@H]1CO[C@H](C)C1 ZINC000623587361 363020723 /nfs/dbraw/zinc/02/07/23/363020723.db2.gz NTJKAHJLWCOEER-CJNGLKHVSA-N 0 3 247.382 3.152 20 0 BGADHN CC(C)Cc1ccccc1CN[C@H]1CO[C@H](C)C1 ZINC000623587362 363020845 /nfs/dbraw/zinc/02/08/45/363020845.db2.gz NTJKAHJLWCOEER-CZUORRHYSA-N 0 3 247.382 3.152 20 0 BGADHN CC(C)Cc1ccccc1CN[C@H]1CO[C@@H](C)C1 ZINC000623587363 363020938 /nfs/dbraw/zinc/02/09/38/363020938.db2.gz NTJKAHJLWCOEER-XJKSGUPXSA-N 0 3 247.382 3.152 20 0 BGADHN Cc1c[nH]c(CNCC(C2CCC2)C2CCC2)n1 ZINC000623593517 363029257 /nfs/dbraw/zinc/02/92/57/363029257.db2.gz PFLQPAPWXKYAKK-UHFFFAOYSA-N 0 3 247.386 3.024 20 0 BGADHN CC[C@H](CNCc1ccns1)c1ccccc1 ZINC000623597247 363032953 /nfs/dbraw/zinc/03/29/53/363032953.db2.gz DBSVVANBECWVMF-GFCCVEGCSA-N 0 3 246.379 3.427 20 0 BGADHN CC[C@@H](CNCc1ccns1)c1ccccc1 ZINC000623597248 363032678 /nfs/dbraw/zinc/03/26/78/363032678.db2.gz DBSVVANBECWVMF-LBPRGKRZSA-N 0 3 246.379 3.427 20 0 BGADHN CCC[C@@H](CNCc1ccc(Cl)o1)OCC ZINC000623597910 363033614 /nfs/dbraw/zinc/03/36/14/363033614.db2.gz IWPDMMUCMXOSNK-JTQLQIEISA-N 0 3 245.750 3.228 20 0 BGADHN CCC[C@H](CNCc1ccc(Cl)o1)OCC ZINC000623597911 363033743 /nfs/dbraw/zinc/03/37/43/363033743.db2.gz IWPDMMUCMXOSNK-SNVBAGLBSA-N 0 3 245.750 3.228 20 0 BGADHN CCC[C@H](CNCc1ccccc1F)OCC ZINC000623597918 363033366 /nfs/dbraw/zinc/03/33/66/363033366.db2.gz JHSBVLCJXCSWIG-CYBMUJFWSA-N 0 3 239.334 3.121 20 0 BGADHN CCC[C@@H](CNCc1ccccc1F)OCC ZINC000623597919 363033665 /nfs/dbraw/zinc/03/36/65/363033665.db2.gz JHSBVLCJXCSWIG-ZDUSSCGKSA-N 0 3 239.334 3.121 20 0 BGADHN CCC[C@H](CNCc1cccs1)OCC ZINC000623597948 363033951 /nfs/dbraw/zinc/03/39/51/363033951.db2.gz JYOJFIUNKLBVJZ-LLVKDONJSA-N 0 3 227.373 3.043 20 0 BGADHN CCC[C@@H](CNCc1cccs1)OCC ZINC000623597949 363034042 /nfs/dbraw/zinc/03/40/42/363034042.db2.gz JYOJFIUNKLBVJZ-NSHDSACASA-N 0 3 227.373 3.043 20 0 BGADHN CCC[C@H](CNCc1ccsc1)OCC ZINC000623598106 363033849 /nfs/dbraw/zinc/03/38/49/363033849.db2.gz QFOGMZWGNYLVII-GFCCVEGCSA-N 0 3 227.373 3.043 20 0 BGADHN CCC[C@@H](CNCc1ccsc1)OCC ZINC000623598107 363033943 /nfs/dbraw/zinc/03/39/43/363033943.db2.gz QFOGMZWGNYLVII-LBPRGKRZSA-N 0 3 227.373 3.043 20 0 BGADHN CCC[C@@H](CNCc1cccc(F)c1)OCC ZINC000623598161 363034010 /nfs/dbraw/zinc/03/40/10/363034010.db2.gz RWVYYXUXIKHYBO-AWEZNQCLSA-N 0 3 239.334 3.121 20 0 BGADHN CCC[C@H](CNCc1cccc(F)c1)OCC ZINC000623598162 363033463 /nfs/dbraw/zinc/03/34/63/363033463.db2.gz RWVYYXUXIKHYBO-CQSZACIVSA-N 0 3 239.334 3.121 20 0 BGADHN CCC[C@@H](CNCc1ccc(F)cc1)OCC ZINC000623598259 363033298 /nfs/dbraw/zinc/03/32/98/363033298.db2.gz WTGYDXOYIHLHGH-AWEZNQCLSA-N 0 3 239.334 3.121 20 0 BGADHN CCC[C@H](CNCc1ccc(F)cc1)OCC ZINC000623598260 363033727 /nfs/dbraw/zinc/03/37/27/363033727.db2.gz WTGYDXOYIHLHGH-CQSZACIVSA-N 0 3 239.334 3.121 20 0 BGADHN CCC(F)(F)C(C)(C)CNCc1ccns1 ZINC000623598278 363034558 /nfs/dbraw/zinc/03/45/58/363034558.db2.gz XOCOYRQABSJZEF-UHFFFAOYSA-N 0 3 248.342 3.304 20 0 BGADHN CCC[C@H](CNC/C=C\c1ccccc1)OCC ZINC000623598498 363035823 /nfs/dbraw/zinc/03/58/23/363035823.db2.gz DIYYMFQSARYLEK-IYCSXQJISA-N 0 3 247.382 3.495 20 0 BGADHN CCC[C@@H](CNC/C=C\c1ccccc1)OCC ZINC000623598499 363035772 /nfs/dbraw/zinc/03/57/72/363035772.db2.gz DIYYMFQSARYLEK-LJEUOOAZSA-N 0 3 247.382 3.495 20 0 BGADHN CCC[C@H](CNC/C=C/c1ccccc1)OCC ZINC000623598500 363035697 /nfs/dbraw/zinc/03/56/97/363035697.db2.gz DIYYMFQSARYLEK-OQRGYWNNSA-N 0 3 247.382 3.495 20 0 BGADHN CCC[C@@H](CNC/C=C/c1ccccc1)OCC ZINC000623598501 363035203 /nfs/dbraw/zinc/03/52/03/363035203.db2.gz DIYYMFQSARYLEK-RCLKMUNOSA-N 0 3 247.382 3.495 20 0 BGADHN CCC[C@H](CNCc1ccc(CC)o1)OCC ZINC000623598839 363035868 /nfs/dbraw/zinc/03/58/68/363035868.db2.gz PBSHDZDKUVPTQK-CYBMUJFWSA-N 0 3 239.359 3.137 20 0 BGADHN CCC[C@@H](CNCc1ccc(CC)o1)OCC ZINC000623598840 363035273 /nfs/dbraw/zinc/03/52/73/363035273.db2.gz PBSHDZDKUVPTQK-ZDUSSCGKSA-N 0 3 239.359 3.137 20 0 BGADHN CCC[C@H](CNCc1csc(C)c1)OCC ZINC000623599502 363037530 /nfs/dbraw/zinc/03/75/30/363037530.db2.gz JZQROLICNDIMRP-CYBMUJFWSA-N 0 3 241.400 3.351 20 0 BGADHN CCC[C@@H](CNCc1csc(C)c1)OCC ZINC000623599503 363037521 /nfs/dbraw/zinc/03/75/21/363037521.db2.gz JZQROLICNDIMRP-ZDUSSCGKSA-N 0 3 241.400 3.351 20 0 BGADHN CCC[C@H](CNCc1ccsc1C)OCC ZINC000623599916 363038570 /nfs/dbraw/zinc/03/85/70/363038570.db2.gz VMYJFJSPNUBQCL-CYBMUJFWSA-N 0 3 241.400 3.351 20 0 BGADHN CCC[C@@H](CNCc1ccsc1C)OCC ZINC000623599917 363038553 /nfs/dbraw/zinc/03/85/53/363038553.db2.gz VMYJFJSPNUBQCL-ZDUSSCGKSA-N 0 3 241.400 3.351 20 0 BGADHN Fc1ccc(CNCC2CC=CC2)c(F)c1F ZINC000623612776 363052390 /nfs/dbraw/zinc/05/23/90/363052390.db2.gz KIMLZTXDWARRFY-UHFFFAOYSA-N 0 3 241.256 3.160 20 0 BGADHN Clc1cscc1CNCC1CC=CC1 ZINC000623613266 363052893 /nfs/dbraw/zinc/05/28/93/363052893.db2.gz KFOHYXYEUAMRPW-UHFFFAOYSA-N 0 3 227.760 3.457 20 0 BGADHN C1=CCC(CNCc2nc3c(s2)CCCC3)C1 ZINC000623613356 363052383 /nfs/dbraw/zinc/05/23/83/363052383.db2.gz PAXMOAGSBPLNAB-UHFFFAOYSA-N 0 3 248.395 3.078 20 0 BGADHN CCC(NCc1nccs1)(C1CC1)C1CC1 ZINC000623623496 363169636 /nfs/dbraw/zinc/16/96/36/363169636.db2.gz QEPZDNHPASJXIJ-UHFFFAOYSA-N 0 3 236.384 3.202 20 0 BGADHN Cc1ccc(C(C)(C)CNCc2ccco2)nc1 ZINC000623647866 368972337 /nfs/dbraw/zinc/97/23/37/368972337.db2.gz QXAKHKDSYJCEHT-UHFFFAOYSA-N 0 3 244.338 3.050 20 0 BGADHN CCO[C@@]1(C)C[C@H]1NCc1coc2ccccc12 ZINC000623677569 369370897 /nfs/dbraw/zinc/37/08/97/369370897.db2.gz CRKRDUUYKMRVSK-CABCVRRESA-N 0 3 245.322 3.090 20 0 BGADHN CCO[C@@]1(C)C[C@H]1NCc1cc(C)sc1C ZINC000623677617 369371404 /nfs/dbraw/zinc/37/14/04/369371404.db2.gz GPPZPNBWEJLRNM-OLZOCXBDSA-N 0 3 239.384 3.022 20 0 BGADHN CCC(F)(F)C(C)(C)CNCC1(F)CC1 ZINC000623698342 369499269 /nfs/dbraw/zinc/49/92/69/369499269.db2.gz ZGFKGDCZRZMDBK-UHFFFAOYSA-N 0 3 223.282 3.150 20 0 BGADHN CCC(F)(F)C(C)(C)CNCc1conc1C ZINC000623698343 369498544 /nfs/dbraw/zinc/49/85/44/369498544.db2.gz ZLPJVYBJPMTTED-UHFFFAOYSA-N 0 3 246.301 3.144 20 0 BGADHN Fc1cnccc1CNCC[C@@H]1CC=CCC1 ZINC000623698456 369504828 /nfs/dbraw/zinc/50/48/28/369504828.db2.gz GTFKBDNQFFETOW-GFCCVEGCSA-N 0 3 234.318 3.057 20 0 BGADHN Fc1cnccc1CNCC[C@H]1CC=CCC1 ZINC000623698457 369504838 /nfs/dbraw/zinc/50/48/38/369504838.db2.gz GTFKBDNQFFETOW-LBPRGKRZSA-N 0 3 234.318 3.057 20 0 BGADHN Cc1ccc(CNCC[C@H]2CC=CCC2)nc1 ZINC000623698705 369506999 /nfs/dbraw/zinc/50/69/99/369506999.db2.gz UBFJIEDGBYYZOI-AWEZNQCLSA-N 0 3 230.355 3.226 20 0 BGADHN Cc1ccc(CNCC[C@@H]2CC=CCC2)nc1 ZINC000623698706 369506619 /nfs/dbraw/zinc/50/66/19/369506619.db2.gz UBFJIEDGBYYZOI-CQSZACIVSA-N 0 3 230.355 3.226 20 0 BGADHN CC(C)n1ccnc1CNCC[C@H]1CC=CCC1 ZINC000623698826 369518707 /nfs/dbraw/zinc/51/87/07/369518707.db2.gz ZPNSUAJOWZFJJY-AWEZNQCLSA-N 0 3 247.386 3.300 20 0 BGADHN CC(C)n1ccnc1CNCC[C@@H]1CC=CCC1 ZINC000623698827 369519063 /nfs/dbraw/zinc/51/90/63/369519063.db2.gz ZPNSUAJOWZFJJY-CQSZACIVSA-N 0 3 247.386 3.300 20 0 BGADHN C/C=C/CNCc1cccc(OC)c1OC(C)C ZINC000623738876 350882093 /nfs/dbraw/zinc/88/20/93/350882093.db2.gz AETZDFKXABSLJI-AATRIKPKSA-N 0 3 249.354 3.148 20 0 BGADHN C/C=C\CNCc1cccc(OC)c1OC(C)C ZINC000623738877 350882089 /nfs/dbraw/zinc/88/20/89/350882089.db2.gz AETZDFKXABSLJI-WAYWQWQTSA-N 0 3 249.354 3.148 20 0 BGADHN C/C=C/CNCc1ccc(OCCC)c(OC)c1 ZINC000623738988 350881607 /nfs/dbraw/zinc/88/16/07/350881607.db2.gz DZWGCUKDBLHNJW-GQCTYLIASA-N 0 3 249.354 3.150 20 0 BGADHN C/C=C\CNCc1ccc(OCCC)c(OC)c1 ZINC000623738989 350881172 /nfs/dbraw/zinc/88/11/72/350881172.db2.gz DZWGCUKDBLHNJW-XQRVVYSFSA-N 0 3 249.354 3.150 20 0 BGADHN C/C=C\CNCc1ccc(SC)c(OC)c1 ZINC000623739130 371073839 /nfs/dbraw/zinc/07/38/39/371073839.db2.gz JONVANRCXLXEQL-PLNGDYQASA-N 0 3 237.368 3.083 20 0 BGADHN C/C=C/CNCc1ccc(SC)c(OC)c1 ZINC000623739131 371073069 /nfs/dbraw/zinc/07/30/69/371073069.db2.gz JONVANRCXLXEQL-SNAWJCMRSA-N 0 3 237.368 3.083 20 0 BGADHN C/C=C\CNCc1cnc(CC(C)C)s1 ZINC000623739157 350883118 /nfs/dbraw/zinc/88/31/18/350883118.db2.gz KKJKEFMDFQNMHB-PLNGDYQASA-N 0 3 224.373 3.007 20 0 BGADHN C/C=C/CNCc1cnc(CC(C)C)s1 ZINC000623739158 350883426 /nfs/dbraw/zinc/88/34/26/350883426.db2.gz KKJKEFMDFQNMHB-SNAWJCMRSA-N 0 3 224.373 3.007 20 0 BGADHN C/C=C\CNC/C(C)=C\c1ccccc1 ZINC000623739184 371073863 /nfs/dbraw/zinc/07/38/63/371073863.db2.gz LHQNVCOFVGGSDN-AETDKBOPSA-N 0 3 201.313 3.256 20 0 BGADHN C/C=C\CNC/C(C)=C/c1ccccc1 ZINC000623739185 371073399 /nfs/dbraw/zinc/07/33/99/371073399.db2.gz LHQNVCOFVGGSDN-KBCNIFDOSA-N 0 3 201.313 3.256 20 0 BGADHN C/C=C/CNC/C(C)=C/c1ccccc1 ZINC000623739186 371073158 /nfs/dbraw/zinc/07/31/58/371073158.db2.gz LHQNVCOFVGGSDN-QOONWOOLSA-N 0 3 201.313 3.256 20 0 BGADHN C/C=C/CNC/C(C)=C\c1ccccc1 ZINC000623739187 371073640 /nfs/dbraw/zinc/07/36/40/371073640.db2.gz LHQNVCOFVGGSDN-XDQCTFLGSA-N 0 3 201.313 3.256 20 0 BGADHN C/C=C\CNCc1ccccc1OCC1CC1 ZINC000623739300 350885868 /nfs/dbraw/zinc/88/58/68/350885868.db2.gz PTEHSWLIMZQFRN-IHWYPQMZSA-N 0 3 231.339 3.141 20 0 BGADHN C/C=C/CNCc1ccccc1OCC1CC1 ZINC000623739301 350885529 /nfs/dbraw/zinc/88/55/29/350885529.db2.gz PTEHSWLIMZQFRN-NSCUHMNNSA-N 0 3 231.339 3.141 20 0 BGADHN C/C=C\CNCc1cnc(C2CCC2)s1 ZINC000623739333 350885667 /nfs/dbraw/zinc/88/56/67/350885667.db2.gz RTCKPLSSUDUWIU-IHWYPQMZSA-N 0 3 222.357 3.076 20 0 BGADHN C/C=C/CNCc1cnc(C2CCC2)s1 ZINC000623739334 350885905 /nfs/dbraw/zinc/88/59/05/350885905.db2.gz RTCKPLSSUDUWIU-NSCUHMNNSA-N 0 3 222.357 3.076 20 0 BGADHN C/C=C\CNCc1ccc(OCC)c(OCC)c1 ZINC000623739341 350885611 /nfs/dbraw/zinc/88/56/11/350885611.db2.gz SCFNHPFDJZTSCV-DAXSKMNVSA-N 0 3 249.354 3.150 20 0 BGADHN C/C=C/CNCc1ccc(OCC)c(OCC)c1 ZINC000623739342 350885582 /nfs/dbraw/zinc/88/55/82/350885582.db2.gz SCFNHPFDJZTSCV-QPJJXVBHSA-N 0 3 249.354 3.150 20 0 BGADHN C/C=C\CNCc1c[nH]nc1-c1ccc(C)cc1 ZINC000623739351 350883921 /nfs/dbraw/zinc/88/39/21/350883921.db2.gz SUEZUPOEQQGTAS-ARJAWSKDSA-N 0 3 241.338 3.051 20 0 BGADHN C/C=C/CNCc1c[nH]nc1-c1ccc(C)cc1 ZINC000623739352 350884443 /nfs/dbraw/zinc/88/44/43/350884443.db2.gz SUEZUPOEQQGTAS-ONEGZZNKSA-N 0 3 241.338 3.051 20 0 BGADHN C/C=C/CNCc1ccc(OC)c(OCCC)c1 ZINC000623739371 350883902 /nfs/dbraw/zinc/88/39/02/350883902.db2.gz UFIJVZDTRQOLPP-GQCTYLIASA-N 0 3 249.354 3.150 20 0 BGADHN C/C=C\CNCc1ccc(OC)c(OCCC)c1 ZINC000623739372 350884379 /nfs/dbraw/zinc/88/43/79/350884379.db2.gz UFIJVZDTRQOLPP-XQRVVYSFSA-N 0 3 249.354 3.150 20 0 BGADHN C/C=C\CNCc1cc(C)ccc1OC(F)F ZINC000623739377 350883977 /nfs/dbraw/zinc/88/39/77/350883977.db2.gz VBIARACZEWRJNB-ARJAWSKDSA-N 0 3 241.281 3.262 20 0 BGADHN C/C=C/CNCc1cc(C)ccc1OC(F)F ZINC000623739378 350884313 /nfs/dbraw/zinc/88/43/13/350884313.db2.gz VBIARACZEWRJNB-ONEGZZNKSA-N 0 3 241.281 3.262 20 0 BGADHN C/C=C\CNCc1c[nH]nc1-c1cccc(C)c1 ZINC000623739381 350884279 /nfs/dbraw/zinc/88/42/79/350884279.db2.gz VCFJYBZKDPHDQQ-ARJAWSKDSA-N 0 3 241.338 3.051 20 0 BGADHN C/C=C/CNCc1c[nH]nc1-c1cccc(C)c1 ZINC000623739382 350884414 /nfs/dbraw/zinc/88/44/14/350884414.db2.gz VCFJYBZKDPHDQQ-ONEGZZNKSA-N 0 3 241.338 3.051 20 0 BGADHN C/C=C\CNCc1cccn1CCC(C)C ZINC000623739417 350885200 /nfs/dbraw/zinc/88/52/00/350885200.db2.gz WJLILPZHNNZEPL-PLNGDYQASA-N 0 3 220.360 3.200 20 0 BGADHN C/C=C/CNCc1cccn1CCC(C)C ZINC000623739418 350885120 /nfs/dbraw/zinc/88/51/20/350885120.db2.gz WJLILPZHNNZEPL-SNAWJCMRSA-N 0 3 220.360 3.200 20 0 BGADHN C/C=C\CNCc1ccc(OC(F)F)c(F)c1 ZINC000623739419 350884883 /nfs/dbraw/zinc/88/48/83/350884883.db2.gz WMIBUFDEMCFQDY-IHWYPQMZSA-N 0 3 245.244 3.093 20 0 BGADHN C/C=C/CNCc1ccc(OC(F)F)c(F)c1 ZINC000623739420 350885163 /nfs/dbraw/zinc/88/51/63/350885163.db2.gz WMIBUFDEMCFQDY-NSCUHMNNSA-N 0 3 245.244 3.093 20 0 BGADHN C/C=C\CNCc1cnc(C2CCCC2)s1 ZINC000623739461 371073521 /nfs/dbraw/zinc/07/35/21/371073521.db2.gz YDMGMUDURWZXES-IHWYPQMZSA-N 0 3 236.384 3.466 20 0 BGADHN C/C=C/CNCc1cnc(C2CCCC2)s1 ZINC000623739462 371071126 /nfs/dbraw/zinc/07/11/26/371071126.db2.gz YDMGMUDURWZXES-NSCUHMNNSA-N 0 3 236.384 3.466 20 0 BGADHN C/C=C\CNCc1cn(C)nc1C1CCCCC1 ZINC000623739602 351043407 /nfs/dbraw/zinc/04/34/07/351043407.db2.gz AAOSYVRDXDOLED-ARJAWSKDSA-N 0 3 247.386 3.134 20 0 BGADHN C/C=C/CNCc1cn(C)nc1C1CCCCC1 ZINC000623739603 351043871 /nfs/dbraw/zinc/04/38/71/351043871.db2.gz AAOSYVRDXDOLED-ONEGZZNKSA-N 0 3 247.386 3.134 20 0 BGADHN C[C@]1(CNCc2ccc(Cl)o2)C[C@H]2C[C@H]2C1 ZINC000623739614 371074674 /nfs/dbraw/zinc/07/46/74/371074674.db2.gz AHMYAEBJWKJLHC-IWIIMEHWSA-N 0 3 239.746 3.459 20 0 BGADHN C/C=C\CNCc1ccsc1C(F)(F)F ZINC000623739619 371074714 /nfs/dbraw/zinc/07/47/14/371074714.db2.gz AMDKRUVRILVMLB-IHWYPQMZSA-N 0 3 235.274 3.433 20 0 BGADHN C/C=C/CNCc1ccsc1C(F)(F)F ZINC000623739620 371074437 /nfs/dbraw/zinc/07/44/37/371074437.db2.gz AMDKRUVRILVMLB-NSCUHMNNSA-N 0 3 235.274 3.433 20 0 BGADHN Cc1ccc(CNC[C@]2(C)C[C@H]3C[C@H]3C2)o1 ZINC000623739668 351044806 /nfs/dbraw/zinc/04/48/06/351044806.db2.gz CKNXMYJUQDOHBG-DABQJJPHSA-N 0 3 219.328 3.114 20 0 BGADHN C/C=C/CNCc1cccc(Cl)c1OCC ZINC000623739673 371074395 /nfs/dbraw/zinc/07/43/95/371074395.db2.gz CRPWRHZXMNRKOC-HWKANZROSA-N 0 3 239.746 3.404 20 0 BGADHN C/C=C\CNCc1cccc(Cl)c1OCC ZINC000623739674 371074766 /nfs/dbraw/zinc/07/47/66/371074766.db2.gz CRPWRHZXMNRKOC-HYXAFXHYSA-N 0 3 239.746 3.404 20 0 BGADHN C/C=C\CNCc1cc(C)c2ncccc2c1 ZINC000623739869 371074613 /nfs/dbraw/zinc/07/46/13/371074613.db2.gz IXWKPJLYTMMGIB-ARJAWSKDSA-N 0 3 226.323 3.209 20 0 BGADHN C/C=C/CNCc1cc(C)c2ncccc2c1 ZINC000623739872 371074817 /nfs/dbraw/zinc/07/48/17/371074817.db2.gz IXWKPJLYTMMGIB-ONEGZZNKSA-N 0 3 226.323 3.209 20 0 BGADHN C/C=C/CNCc1ccc(OCC)cc1C ZINC000623739928 371075222 /nfs/dbraw/zinc/07/52/22/371075222.db2.gz KCFATBDLWGJTKC-GQCTYLIASA-N 0 3 219.328 3.059 20 0 BGADHN C/C=C\CNCc1ccc(OCC)cc1C ZINC000623739929 371074914 /nfs/dbraw/zinc/07/49/14/371074914.db2.gz KCFATBDLWGJTKC-XQRVVYSFSA-N 0 3 219.328 3.059 20 0 BGADHN C/C=C\CNCc1ccc(C(F)(F)F)s1 ZINC000623740047 371074727 /nfs/dbraw/zinc/07/47/27/371074727.db2.gz LKERTPHCSPGNGQ-IHWYPQMZSA-N 0 3 235.274 3.433 20 0 BGADHN C/C=C/CNCc1ccc(C(F)(F)F)s1 ZINC000623740048 371074983 /nfs/dbraw/zinc/07/49/83/371074983.db2.gz LKERTPHCSPGNGQ-NSCUHMNNSA-N 0 3 235.274 3.433 20 0 BGADHN C/C=C/CNCc1cccc(SCC)c1 ZINC000623740094 371074601 /nfs/dbraw/zinc/07/46/01/371074601.db2.gz MPHNGMXDVZRPPN-HWKANZROSA-N 0 3 221.369 3.464 20 0 BGADHN C/C=C\CNCc1cccc(SCC)c1 ZINC000623740095 371071764 /nfs/dbraw/zinc/07/17/64/371071764.db2.gz MPHNGMXDVZRPPN-HYXAFXHYSA-N 0 3 221.369 3.464 20 0 BGADHN C/C=C/CNCc1c(F)cccc1CC ZINC000623740145 371074508 /nfs/dbraw/zinc/07/45/08/371074508.db2.gz NYKFSHFOEXFAAI-HWKANZROSA-N 0 3 207.292 3.054 20 0 BGADHN C/C=C\CNCc1c(F)cccc1CC ZINC000623740146 371075133 /nfs/dbraw/zinc/07/51/33/371075133.db2.gz NYKFSHFOEXFAAI-HYXAFXHYSA-N 0 3 207.292 3.054 20 0 BGADHN C/C=C\CNCc1ccc2nc(C)sc2c1 ZINC000623740194 371074737 /nfs/dbraw/zinc/07/47/37/371074737.db2.gz OYWPPLSPHYVURB-ARJAWSKDSA-N 0 3 232.352 3.270 20 0 BGADHN C/C=C/CNCc1ccc2nc(C)sc2c1 ZINC000623740195 371074662 /nfs/dbraw/zinc/07/46/62/371074662.db2.gz OYWPPLSPHYVURB-ONEGZZNKSA-N 0 3 232.352 3.270 20 0 BGADHN C/C=C/CNC/C(C)=C/c1ccccc1COC ZINC000623740231 371073309 /nfs/dbraw/zinc/07/33/09/371073309.db2.gz QKCSUOJFHLNETC-CTLAPNPFSA-N 0 3 245.366 3.402 20 0 BGADHN C/C=C/CNC/C(C)=C\c1ccccc1COC ZINC000623740232 371073098 /nfs/dbraw/zinc/07/30/98/371073098.db2.gz QKCSUOJFHLNETC-QFERZNBHSA-N 0 3 245.366 3.402 20 0 BGADHN C/C=C\CNC/C(C)=C\c1ccccc1COC ZINC000623740233 371073731 /nfs/dbraw/zinc/07/37/31/371073731.db2.gz QKCSUOJFHLNETC-UETZTNTPSA-N 0 3 245.366 3.402 20 0 BGADHN C/C=C\CNC/C(C)=C/c1ccccc1COC ZINC000623740234 371074974 /nfs/dbraw/zinc/07/49/74/371074974.db2.gz QKCSUOJFHLNETC-UZWKOAOVSA-N 0 3 245.366 3.402 20 0 BGADHN C/C=C\CNCc1cc(O)cc(C(F)(F)F)c1 ZINC000623740288 351052349 /nfs/dbraw/zinc/05/23/49/351052349.db2.gz RRIYCYLDQLKXPO-IHWYPQMZSA-N 0 3 245.244 3.077 20 0 BGADHN C/C=C/CNCc1cc(O)cc(C(F)(F)F)c1 ZINC000623740289 351052455 /nfs/dbraw/zinc/05/24/55/351052455.db2.gz RRIYCYLDQLKXPO-NSCUHMNNSA-N 0 3 245.244 3.077 20 0 BGADHN C/C=C\CNCc1ccc(Cl)c(OC)c1 ZINC000623740312 371074935 /nfs/dbraw/zinc/07/49/35/371074935.db2.gz SHTVVLKMJLTHCT-ARJAWSKDSA-N 0 3 225.719 3.014 20 0 BGADHN C/C=C/CNCc1ccc(Cl)c(OC)c1 ZINC000623740313 371074998 /nfs/dbraw/zinc/07/49/98/371074998.db2.gz SHTVVLKMJLTHCT-ONEGZZNKSA-N 0 3 225.719 3.014 20 0 BGADHN C/C=C\CNCc1cc2ccc(C)cc2[nH]1 ZINC000623740314 371075106 /nfs/dbraw/zinc/07/51/06/371075106.db2.gz SJGFGGGIWUQVAL-ARJAWSKDSA-N 0 3 214.312 3.142 20 0 BGADHN C/C=C/CNCc1cc2ccc(C)cc2[nH]1 ZINC000623740315 371074785 /nfs/dbraw/zinc/07/47/85/371074785.db2.gz SJGFGGGIWUQVAL-ONEGZZNKSA-N 0 3 214.312 3.142 20 0 BGADHN C/C=C\CNCc1cnc(-c2ccco2)s1 ZINC000623740323 371075019 /nfs/dbraw/zinc/07/50/19/371075019.db2.gz SPJBCTRKELIQKG-IHWYPQMZSA-N 0 3 234.324 3.069 20 0 BGADHN C/C=C/CNCc1cnc(-c2ccco2)s1 ZINC000623740324 371076004 /nfs/dbraw/zinc/07/60/04/371076004.db2.gz SPJBCTRKELIQKG-NSCUHMNNSA-N 0 3 234.324 3.069 20 0 BGADHN C/C=C\CNCc1ccc(OCC2CC2)cc1 ZINC000623740327 371075911 /nfs/dbraw/zinc/07/59/11/371075911.db2.gz SQMMOODHWMNEGQ-IHWYPQMZSA-N 0 3 231.339 3.141 20 0 BGADHN C/C=C/CNCc1ccc(OCC2CC2)cc1 ZINC000623740328 371075715 /nfs/dbraw/zinc/07/57/15/371075715.db2.gz SQMMOODHWMNEGQ-NSCUHMNNSA-N 0 3 231.339 3.141 20 0 BGADHN C/C=C\CNCc1csc(C(F)(F)F)c1 ZINC000623740412 371075845 /nfs/dbraw/zinc/07/58/45/371075845.db2.gz VNBFBMOTOBACJH-IHWYPQMZSA-N 0 3 235.274 3.433 20 0 BGADHN C/C=C/CNCc1csc(C(F)(F)F)c1 ZINC000623740413 371075967 /nfs/dbraw/zinc/07/59/67/371075967.db2.gz VNBFBMOTOBACJH-NSCUHMNNSA-N 0 3 235.274 3.433 20 0 BGADHN C/C=C\CNCc1cc2c(cccc2C)[nH]1 ZINC000623740426 351052260 /nfs/dbraw/zinc/05/22/60/351052260.db2.gz VXIOVCYOYPQUQU-ARJAWSKDSA-N 0 3 214.312 3.142 20 0 BGADHN C/C=C/CNCc1cc2c(cccc2C)[nH]1 ZINC000623740427 351051995 /nfs/dbraw/zinc/05/19/95/351051995.db2.gz VXIOVCYOYPQUQU-ONEGZZNKSA-N 0 3 214.312 3.142 20 0 BGADHN C/C=C\CNCc1cc2cc(OC)ccc2o1 ZINC000623740476 371075946 /nfs/dbraw/zinc/07/59/46/371075946.db2.gz XQBVPOPWTRXFHG-ARJAWSKDSA-N 0 3 231.295 3.107 20 0 BGADHN C/C=C/CNCc1cc2cc(OC)ccc2o1 ZINC000623740477 371075933 /nfs/dbraw/zinc/07/59/33/371075933.db2.gz XQBVPOPWTRXFHG-ONEGZZNKSA-N 0 3 231.295 3.107 20 0 BGADHN C/C=C\CNCc1cc2cc(Cl)cnc2o1 ZINC000623740488 411403340 /nfs/dbraw/zinc/40/33/40/411403340.db2.gz YCQRNZUJTIXEHV-IHWYPQMZSA-N 0 3 236.702 3.147 20 0 BGADHN C/C=C/CNCc1cc2cc(Cl)cnc2o1 ZINC000623740489 411403865 /nfs/dbraw/zinc/40/38/65/411403865.db2.gz YCQRNZUJTIXEHV-NSCUHMNNSA-N 0 3 236.702 3.147 20 0 BGADHN C/C=C\CNCc1cscc1C(F)(F)F ZINC000623740510 411403841 /nfs/dbraw/zinc/40/38/41/411403841.db2.gz YVNWBBCZFCXGCS-IHWYPQMZSA-N 0 3 235.274 3.433 20 0 BGADHN C/C=C/CNCc1cscc1C(F)(F)F ZINC000623740511 411403456 /nfs/dbraw/zinc/40/34/56/411403456.db2.gz YVNWBBCZFCXGCS-NSCUHMNNSA-N 0 3 235.274 3.433 20 0 BGADHN C/C=C\CNCc1ccc(SC)s1 ZINC000623740528 351054502 /nfs/dbraw/zinc/05/45/02/351054502.db2.gz ZRMSRDLIIVDYGF-ARJAWSKDSA-N 0 3 213.371 3.136 20 0 BGADHN C/C=C/CNCc1ccc(SC)s1 ZINC000623740529 351054491 /nfs/dbraw/zinc/05/44/91/351054491.db2.gz ZRMSRDLIIVDYGF-ONEGZZNKSA-N 0 3 213.371 3.136 20 0 BGADHN Cc1ccoc1CNC[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000623740863 351083794 /nfs/dbraw/zinc/08/37/94/351083794.db2.gz FQJYEOOQGQMISW-DABQJJPHSA-N 0 3 219.328 3.114 20 0 BGADHN FC(F)(F)C1(CNCc2ccco2)CCCC1 ZINC000623786861 371092250 /nfs/dbraw/zinc/09/22/50/371092250.db2.gz MJLWZONXWMCFQO-UHFFFAOYSA-N 0 3 247.260 3.492 20 0 BGADHN FC(F)(F)C1(CNCc2cc[nH]c2)CCCC1 ZINC000623787462 371094158 /nfs/dbraw/zinc/09/41/58/371094158.db2.gz NAIWNKMLZNWFEH-UHFFFAOYSA-N 0 3 246.276 3.227 20 0 BGADHN FC(F)(F)C1(CNCC2(F)CC2)CCCC1 ZINC000623787907 371094333 /nfs/dbraw/zinc/09/43/33/371094333.db2.gz GPQKKOJIOCWFRW-UHFFFAOYSA-N 0 3 239.256 3.201 20 0 BGADHN CO[C@H]1C[C@H](NCc2c(C)oc3ccccc32)C1 ZINC000623808361 371104174 /nfs/dbraw/zinc/10/41/74/371104174.db2.gz OFXHCHYGSFNGLM-HAQNSBGRSA-N 0 3 245.322 3.008 20 0 BGADHN Cc1nc(CNC[C@H]2CCCC23CC3)cs1 ZINC000623824807 371112612 /nfs/dbraw/zinc/11/26/12/371112612.db2.gz PRNIRGVWDOHMAG-LLVKDONJSA-N 0 3 236.384 3.121 20 0 BGADHN Cc1nc(CNC[C@@H]2CCCC23CC3)cs1 ZINC000623824808 371113213 /nfs/dbraw/zinc/11/32/13/371113213.db2.gz PRNIRGVWDOHMAG-NSHDSACASA-N 0 3 236.384 3.121 20 0 BGADHN COCc1ccc(CNC[C@H]2CCCC23CC3)o1 ZINC000623825179 371112944 /nfs/dbraw/zinc/11/29/44/371112944.db2.gz YKBMYTDUPBYBSR-GFCCVEGCSA-N 0 3 249.354 3.096 20 0 BGADHN COCc1ccc(CNC[C@@H]2CCCC23CC3)o1 ZINC000623825180 371112932 /nfs/dbraw/zinc/11/29/32/371112932.db2.gz YKBMYTDUPBYBSR-LBPRGKRZSA-N 0 3 249.354 3.096 20 0 BGADHN Cc1cnc(CNC[C@H]2CCCC23CC3)s1 ZINC000623825594 371114506 /nfs/dbraw/zinc/11/45/06/371114506.db2.gz GUEZJEIKNCSILQ-LLVKDONJSA-N 0 3 236.384 3.121 20 0 BGADHN Cc1cnc(CNC[C@@H]2CCCC23CC3)s1 ZINC000623825595 371113813 /nfs/dbraw/zinc/11/38/13/371113813.db2.gz GUEZJEIKNCSILQ-NSHDSACASA-N 0 3 236.384 3.121 20 0 BGADHN CC(C)n1ccnc1CNC[C@H]1CCCC12CC2 ZINC000623825600 371113803 /nfs/dbraw/zinc/11/38/03/371113803.db2.gz GVTVIZPRBZAXBT-CYBMUJFWSA-N 0 3 247.386 3.134 20 0 BGADHN CC(C)n1ccnc1CNC[C@@H]1CCCC12CC2 ZINC000623825601 371114394 /nfs/dbraw/zinc/11/43/94/371114394.db2.gz GVTVIZPRBZAXBT-ZDUSSCGKSA-N 0 3 247.386 3.134 20 0 BGADHN Fc1cccc(F)c1C1(NCC2CC2)CCC1 ZINC000623844237 371124602 /nfs/dbraw/zinc/12/46/02/371124602.db2.gz MUYMLHQTMWKWRH-UHFFFAOYSA-N 0 3 237.293 3.344 20 0 BGADHN CCC[C@@H](C)N[C@@H]1CCCc2scnc21 ZINC000623848646 371125255 /nfs/dbraw/zinc/12/52/55/371125255.db2.gz DXVBJQOGEMFRFI-NXEZZACHSA-N 0 3 224.373 3.299 20 0 BGADHN CCC[C@H](C)N[C@H]1CCCc2scnc21 ZINC000623848647 371124962 /nfs/dbraw/zinc/12/49/62/371124962.db2.gz DXVBJQOGEMFRFI-UWVGGRQHSA-N 0 3 224.373 3.299 20 0 BGADHN CCC[C@H](C)N[C@@H]1CCCc2scnc21 ZINC000623848648 371125373 /nfs/dbraw/zinc/12/53/73/371125373.db2.gz DXVBJQOGEMFRFI-VHSXEESVSA-N 0 3 224.373 3.299 20 0 BGADHN CCC[C@@H](C)N[C@H]1CCCc2scnc21 ZINC000623848649 371125535 /nfs/dbraw/zinc/12/55/35/371125535.db2.gz DXVBJQOGEMFRFI-ZJUUUORDSA-N 0 3 224.373 3.299 20 0 BGADHN CCCCCN[C@H]1CCCc2scnc21 ZINC000623849246 343688818 /nfs/dbraw/zinc/68/88/18/343688818.db2.gz ACRHANJXDXAMMI-JTQLQIEISA-N 0 3 224.373 3.300 20 0 BGADHN CCCCCN[C@@H]1CCCc2scnc21 ZINC000623849247 343689052 /nfs/dbraw/zinc/68/90/52/343689052.db2.gz ACRHANJXDXAMMI-SNVBAGLBSA-N 0 3 224.373 3.300 20 0 BGADHN CC(C)CCN[C@H]1CCCc2scnc21 ZINC000623849343 371125184 /nfs/dbraw/zinc/12/51/84/371125184.db2.gz CAOZCSPYSVIPHJ-JTQLQIEISA-N 0 3 224.373 3.156 20 0 BGADHN CC(C)CCN[C@@H]1CCCc2scnc21 ZINC000623849344 371125195 /nfs/dbraw/zinc/12/51/95/371125195.db2.gz CAOZCSPYSVIPHJ-SNVBAGLBSA-N 0 3 224.373 3.156 20 0 BGADHN c1nc2c(s1)CCC[C@@H]2NC1CCCC1 ZINC000623849765 371127275 /nfs/dbraw/zinc/12/72/75/371127275.db2.gz OURLHSLGWSDYOT-JTQLQIEISA-N 0 3 222.357 3.053 20 0 BGADHN c1nc2c(s1)CCC[C@H]2NC1CCCC1 ZINC000623849766 371127307 /nfs/dbraw/zinc/12/73/07/371127307.db2.gz OURLHSLGWSDYOT-SNVBAGLBSA-N 0 3 222.357 3.053 20 0 BGADHN CCC(CC)N[C@H]1CCCc2scnc21 ZINC000623849955 371124043 /nfs/dbraw/zinc/12/40/43/371124043.db2.gz SPPDIINULGFIOJ-JTQLQIEISA-N 0 3 224.373 3.299 20 0 BGADHN CCC(CC)N[C@@H]1CCCc2scnc21 ZINC000623849956 371123694 /nfs/dbraw/zinc/12/36/94/371123694.db2.gz SPPDIINULGFIOJ-SNVBAGLBSA-N 0 3 224.373 3.299 20 0 BGADHN c1nc2c(s1)CCC[C@H]2NC1CCCCC1 ZINC000623850704 371126867 /nfs/dbraw/zinc/12/68/67/371126867.db2.gz OUHFMCZZVBGUKQ-LLVKDONJSA-N 0 3 236.384 3.443 20 0 BGADHN c1nc2c(s1)CCC[C@@H]2NC1CCCCC1 ZINC000623850705 371127048 /nfs/dbraw/zinc/12/70/48/371127048.db2.gz OUHFMCZZVBGUKQ-NSHDSACASA-N 0 3 236.384 3.443 20 0 BGADHN CCOCCN[C@H](C)c1cccc(C(C)C)c1 ZINC000623865977 371132854 /nfs/dbraw/zinc/13/28/54/371132854.db2.gz HJTHPQAUFOSVDK-CYBMUJFWSA-N 0 3 235.371 3.497 20 0 BGADHN CCOCCN[C@@H](C)c1cccc(C(C)C)c1 ZINC000623865978 371132258 /nfs/dbraw/zinc/13/22/58/371132258.db2.gz HJTHPQAUFOSVDK-ZDUSSCGKSA-N 0 3 235.371 3.497 20 0 BGADHN c1nc2c(s1)CCC[C@H]2NCC1CCCC1 ZINC000623873078 371135828 /nfs/dbraw/zinc/13/58/28/371135828.db2.gz YDYBLFMOIMGDNK-LLVKDONJSA-N 0 3 236.384 3.300 20 0 BGADHN c1nc2c(s1)CCC[C@@H]2NCC1CCCC1 ZINC000623873079 371136085 /nfs/dbraw/zinc/13/60/85/371136085.db2.gz YDYBLFMOIMGDNK-NSHDSACASA-N 0 3 236.384 3.300 20 0 BGADHN CC(C)(C)CN[C@@H]1CCCc2scnc21 ZINC000623874361 352351428 /nfs/dbraw/zinc/35/14/28/352351428.db2.gz HBHABDFRCAZAPW-SECBINFHSA-N 0 3 224.373 3.156 20 0 BGADHN CC(C)(C)CN[C@H]1CCCc2scnc21 ZINC000623874362 352351508 /nfs/dbraw/zinc/35/15/08/352351508.db2.gz HBHABDFRCAZAPW-VIFPVBQESA-N 0 3 224.373 3.156 20 0 BGADHN c1nc2c(s1)CCC[C@H]2NC(C1CC1)C1CC1 ZINC000623875270 371137314 /nfs/dbraw/zinc/13/73/14/371137314.db2.gz BUUNFQVSZUYGKN-LLVKDONJSA-N 0 3 248.395 3.299 20 0 BGADHN c1nc2c(s1)CCC[C@@H]2NC(C1CC1)C1CC1 ZINC000623875271 371137437 /nfs/dbraw/zinc/13/74/37/371137437.db2.gz BUUNFQVSZUYGKN-NSHDSACASA-N 0 3 248.395 3.299 20 0 BGADHN c1nc2c(s1)CCC[C@@H]2NC[C@@H]1CC=CCC1 ZINC000623875408 371134090 /nfs/dbraw/zinc/13/40/90/371134090.db2.gz HUNPKCNCBMHJJZ-NEPJUHHUSA-N 0 3 248.395 3.466 20 0 BGADHN c1nc2c(s1)CCC[C@H]2NC[C@H]1CC=CCC1 ZINC000623875409 371133835 /nfs/dbraw/zinc/13/38/35/371133835.db2.gz HUNPKCNCBMHJJZ-NWDGAFQWSA-N 0 3 248.395 3.466 20 0 BGADHN c1nc2c(s1)CCC[C@@H]2NC[C@H]1CC=CCC1 ZINC000623875410 371134909 /nfs/dbraw/zinc/13/49/09/371134909.db2.gz HUNPKCNCBMHJJZ-RYUDHWBXSA-N 0 3 248.395 3.466 20 0 BGADHN c1nc2c(s1)CCC[C@H]2NC[C@@H]1CC=CCC1 ZINC000623875411 371134134 /nfs/dbraw/zinc/13/41/34/371134134.db2.gz HUNPKCNCBMHJJZ-VXGBXAGGSA-N 0 3 248.395 3.466 20 0 BGADHN C[C@@H](CN[C@@H]1CCCc2scnc21)C1CC1 ZINC000623876091 371135952 /nfs/dbraw/zinc/13/59/52/371135952.db2.gz HUPFQPVKWQFYSL-GXSJLCMTSA-N 0 3 236.384 3.156 20 0 BGADHN C[C@H](CN[C@H]1CCCc2scnc21)C1CC1 ZINC000623876092 371135492 /nfs/dbraw/zinc/13/54/92/371135492.db2.gz HUPFQPVKWQFYSL-KOLCDFICSA-N 0 3 236.384 3.156 20 0 BGADHN C[C@H](CN[C@@H]1CCCc2scnc21)C1CC1 ZINC000623876093 371135784 /nfs/dbraw/zinc/13/57/84/371135784.db2.gz HUPFQPVKWQFYSL-MWLCHTKSSA-N 0 3 236.384 3.156 20 0 BGADHN C[C@@H](CN[C@H]1CCCc2scnc21)C1CC1 ZINC000623876094 371135507 /nfs/dbraw/zinc/13/55/07/371135507.db2.gz HUPFQPVKWQFYSL-ONGXEEELSA-N 0 3 236.384 3.156 20 0 BGADHN Cc1csc([C@@H](C)NC[C@@H](C)C2CC2)n1 ZINC000623876823 371136850 /nfs/dbraw/zinc/13/68/50/371136850.db2.gz GXYHDWATHOJCQR-PSASIEDQSA-N 0 3 224.373 3.148 20 0 BGADHN Cc1csc([C@H](C)NC[C@@H](C)C2CC2)n1 ZINC000623876824 371137641 /nfs/dbraw/zinc/13/76/41/371137641.db2.gz GXYHDWATHOJCQR-SCZZXKLOSA-N 0 3 224.373 3.148 20 0 BGADHN Cc1csc([C@@H](C)NC[C@H](C)C2CC2)n1 ZINC000623876825 371139185 /nfs/dbraw/zinc/13/91/85/371139185.db2.gz GXYHDWATHOJCQR-WCBMZHEXSA-N 0 3 224.373 3.148 20 0 BGADHN Cc1csc([C@H](C)NC[C@H](C)C2CC2)n1 ZINC000623876826 371138705 /nfs/dbraw/zinc/13/87/05/371138705.db2.gz GXYHDWATHOJCQR-WPRPVWTQSA-N 0 3 224.373 3.148 20 0 BGADHN CC(C)[C@H](C)CN[C@@H]1CCCc2scnc21 ZINC000623896959 371141404 /nfs/dbraw/zinc/14/14/04/371141404.db2.gz DFXSBBCEVLTDPY-GHMZBOCLSA-N 0 3 238.400 3.402 20 0 BGADHN CC(C)[C@H](C)CN[C@H]1CCCc2scnc21 ZINC000623896960 371141964 /nfs/dbraw/zinc/14/19/64/371141964.db2.gz DFXSBBCEVLTDPY-MNOVXSKESA-N 0 3 238.400 3.402 20 0 BGADHN CC(C)[C@@H](C)CN[C@H]1CCCc2scnc21 ZINC000623896961 371141640 /nfs/dbraw/zinc/14/16/40/371141640.db2.gz DFXSBBCEVLTDPY-QWRGUYRKSA-N 0 3 238.400 3.402 20 0 BGADHN CC(C)[C@@H](C)CN[C@@H]1CCCc2scnc21 ZINC000623896962 371141102 /nfs/dbraw/zinc/14/11/02/371141102.db2.gz DFXSBBCEVLTDPY-WDEREUQCSA-N 0 3 238.400 3.402 20 0 BGADHN CC[C@@H](CCc1ccccc1)NCc1ccon1 ZINC000623903043 371148001 /nfs/dbraw/zinc/14/80/01/371148001.db2.gz XYOVMGPDRZLYGI-AWEZNQCLSA-N 0 3 244.338 3.176 20 0 BGADHN CC[C@H](CCc1ccccc1)NCc1ccon1 ZINC000623903044 371148206 /nfs/dbraw/zinc/14/82/06/371148206.db2.gz XYOVMGPDRZLYGI-CQSZACIVSA-N 0 3 244.338 3.176 20 0 BGADHN C[C@@H]1CCC[C@H]1N[C@@H]1CCCc2scnc21 ZINC000623912069 371150947 /nfs/dbraw/zinc/15/09/47/371150947.db2.gz XZZRIDIWXKZPNE-GMTAPVOTSA-N 0 3 236.384 3.299 20 0 BGADHN C[C@@H]1CCC[C@H]1N[C@H]1CCCc2scnc21 ZINC000623912070 371151025 /nfs/dbraw/zinc/15/10/25/371151025.db2.gz XZZRIDIWXKZPNE-MXWKQRLJSA-N 0 3 236.384 3.299 20 0 BGADHN C[C@@H]1CCC[C@@H]1N[C@@H]1CCCc2scnc21 ZINC000623912071 371151527 /nfs/dbraw/zinc/15/15/27/371151527.db2.gz XZZRIDIWXKZPNE-OUAUKWLOSA-N 0 3 236.384 3.299 20 0 BGADHN C[C@@H]1CCC[C@@H]1N[C@H]1CCCc2scnc21 ZINC000623912072 356453442 /nfs/dbraw/zinc/45/34/42/356453442.db2.gz XZZRIDIWXKZPNE-VWYCJHECSA-N 0 3 236.384 3.299 20 0 BGADHN CC1(C)C[C@@H]1CN[C@@H]1CCCc2scnc21 ZINC000623913583 371153015 /nfs/dbraw/zinc/15/30/15/371153015.db2.gz UMFRMAKXXWJOMZ-NXEZZACHSA-N 0 3 236.384 3.156 20 0 BGADHN CC1(C)C[C@H]1CN[C@H]1CCCc2scnc21 ZINC000623913584 371152855 /nfs/dbraw/zinc/15/28/55/371152855.db2.gz UMFRMAKXXWJOMZ-UWVGGRQHSA-N 0 3 236.384 3.156 20 0 BGADHN CC1(C)C[C@H]1CN[C@@H]1CCCc2scnc21 ZINC000623913585 371153033 /nfs/dbraw/zinc/15/30/33/371153033.db2.gz UMFRMAKXXWJOMZ-VHSXEESVSA-N 0 3 236.384 3.156 20 0 BGADHN CC1(C)C[C@@H]1CN[C@H]1CCCc2scnc21 ZINC000623913586 371152972 /nfs/dbraw/zinc/15/29/72/371152972.db2.gz UMFRMAKXXWJOMZ-ZJUUUORDSA-N 0 3 236.384 3.156 20 0 BGADHN Cc1csc([C@@H](C)NC[C@H]2CC2(C)C)n1 ZINC000623913722 356510197 /nfs/dbraw/zinc/51/01/97/356510197.db2.gz YZRBXFVGZDXLMJ-NXEZZACHSA-N 0 3 224.373 3.148 20 0 BGADHN Cc1csc([C@H](C)NC[C@@H]2CC2(C)C)n1 ZINC000623913723 356510460 /nfs/dbraw/zinc/51/04/60/356510460.db2.gz YZRBXFVGZDXLMJ-UWVGGRQHSA-N 0 3 224.373 3.148 20 0 BGADHN Cc1csc([C@H](C)NC[C@H]2CC2(C)C)n1 ZINC000623913724 356511021 /nfs/dbraw/zinc/51/10/21/356511021.db2.gz YZRBXFVGZDXLMJ-VHSXEESVSA-N 0 3 224.373 3.148 20 0 BGADHN Cc1csc([C@@H](C)NC[C@@H]2CC2(C)C)n1 ZINC000623913725 356510205 /nfs/dbraw/zinc/51/02/05/356510205.db2.gz YZRBXFVGZDXLMJ-ZJUUUORDSA-N 0 3 224.373 3.148 20 0 BGADHN Cc1csc([C@@H](C)N[C@@H]2CC=CCC2)n1 ZINC000623915451 371152551 /nfs/dbraw/zinc/15/25/51/371152551.db2.gz HDCDJIYCZKWLEY-GHMZBOCLSA-N 0 3 222.357 3.211 20 0 BGADHN Cc1csc([C@@H](C)N[C@H]2CC=CCC2)n1 ZINC000623915452 371148451 /nfs/dbraw/zinc/14/84/51/371148451.db2.gz HDCDJIYCZKWLEY-MNOVXSKESA-N 0 3 222.357 3.211 20 0 BGADHN Cc1csc([C@H](C)N[C@H]2CC=CCC2)n1 ZINC000623915453 371148250 /nfs/dbraw/zinc/14/82/50/371148250.db2.gz HDCDJIYCZKWLEY-QWRGUYRKSA-N 0 3 222.357 3.211 20 0 BGADHN Cc1csc([C@H](C)N[C@@H]2CC=CCC2)n1 ZINC000623915454 371148431 /nfs/dbraw/zinc/14/84/31/371148431.db2.gz HDCDJIYCZKWLEY-WDEREUQCSA-N 0 3 222.357 3.211 20 0 BGADHN c1nc2c(s1)CCC[C@H]2NCCCC1CC1 ZINC000623915636 371152962 /nfs/dbraw/zinc/15/29/62/371152962.db2.gz MDTVRWORWSXRIK-LLVKDONJSA-N 0 3 236.384 3.300 20 0 BGADHN c1nc2c(s1)CCC[C@@H]2NCCCC1CC1 ZINC000623915637 371152626 /nfs/dbraw/zinc/15/26/26/371152626.db2.gz MDTVRWORWSXRIK-NSHDSACASA-N 0 3 236.384 3.300 20 0 BGADHN c1nc2c(s1)CCC[C@H]2N[C@@H]1CC=CCC1 ZINC000623915920 371152815 /nfs/dbraw/zinc/15/28/15/371152815.db2.gz XEXBZALMNCMNBT-GHMZBOCLSA-N 0 3 234.368 3.219 20 0 BGADHN c1nc2c(s1)CCC[C@@H]2N[C@@H]1CC=CCC1 ZINC000623915921 371152446 /nfs/dbraw/zinc/15/24/46/371152446.db2.gz XEXBZALMNCMNBT-MNOVXSKESA-N 0 3 234.368 3.219 20 0 BGADHN c1nc2c(s1)CCC[C@@H]2N[C@H]1CC=CCC1 ZINC000623915922 371153271 /nfs/dbraw/zinc/15/32/71/371153271.db2.gz XEXBZALMNCMNBT-QWRGUYRKSA-N 0 3 234.368 3.219 20 0 BGADHN c1nc2c(s1)CCC[C@H]2N[C@H]1CC=CCC1 ZINC000623915923 371153003 /nfs/dbraw/zinc/15/30/03/371153003.db2.gz XEXBZALMNCMNBT-WDEREUQCSA-N 0 3 234.368 3.219 20 0 BGADHN CC1(CN[C@H]2CCCc3scnc32)CCC1 ZINC000623918789 356666920 /nfs/dbraw/zinc/66/69/20/356666920.db2.gz BESXOPDEISDFBH-JTQLQIEISA-N 0 3 236.384 3.300 20 0 BGADHN CC1(CN[C@@H]2CCCc3scnc32)CCC1 ZINC000623918790 356666845 /nfs/dbraw/zinc/66/68/45/356666845.db2.gz BESXOPDEISDFBH-SNVBAGLBSA-N 0 3 236.384 3.300 20 0 BGADHN CCC1(CN[C@H]2CCCc3scnc32)CC1 ZINC000623918793 356666814 /nfs/dbraw/zinc/66/68/14/356666814.db2.gz BIURIGGEECWLPN-JTQLQIEISA-N 0 3 236.384 3.300 20 0 BGADHN CCC1(CN[C@@H]2CCCc3scnc32)CC1 ZINC000623918794 356667338 /nfs/dbraw/zinc/66/73/38/356667338.db2.gz BIURIGGEECWLPN-SNVBAGLBSA-N 0 3 236.384 3.300 20 0 BGADHN CCC1(CN[C@@H](C)c2nc(C)cs2)CC1 ZINC000623918926 371154185 /nfs/dbraw/zinc/15/41/85/371154185.db2.gz HBHYQHPYMFQALM-JTQLQIEISA-N 0 3 224.373 3.292 20 0 BGADHN CCC1(CN[C@H](C)c2nc(C)cs2)CC1 ZINC000623918927 371154370 /nfs/dbraw/zinc/15/43/70/371154370.db2.gz HBHYQHPYMFQALM-SNVBAGLBSA-N 0 3 224.373 3.292 20 0 BGADHN Cc1csc([C@H](C)NCC2(C3CC3)CC2)n1 ZINC000623923537 371156317 /nfs/dbraw/zinc/15/63/17/371156317.db2.gz DQJBDXQIPJBPOS-JTQLQIEISA-N 0 3 236.384 3.292 20 0 BGADHN Cc1csc([C@@H](C)NCC2(C3CC3)CC2)n1 ZINC000623923538 371156109 /nfs/dbraw/zinc/15/61/09/371156109.db2.gz DQJBDXQIPJBPOS-SNVBAGLBSA-N 0 3 236.384 3.292 20 0 BGADHN c1nc2c(s1)CCC[C@H]2NCC1(C2CC2)CC1 ZINC000623923973 371157630 /nfs/dbraw/zinc/15/76/30/371157630.db2.gz PZUUPONOGAZDMK-LLVKDONJSA-N 0 3 248.395 3.300 20 0 BGADHN c1nc2c(s1)CCC[C@@H]2NCC1(C2CC2)CC1 ZINC000623923974 371157834 /nfs/dbraw/zinc/15/78/34/371157834.db2.gz PZUUPONOGAZDMK-NSHDSACASA-N 0 3 248.395 3.300 20 0 BGADHN CC(C)c1cccc([C@@H](C)N[C@H]2CCOC2)c1 ZINC000623924228 356791516 /nfs/dbraw/zinc/79/15/16/356791516.db2.gz WBUUUFVBAGAEJQ-DOMZBBRYSA-N 0 3 233.355 3.250 20 0 BGADHN CC(C)c1cccc([C@@H](C)N[C@@H]2CCOC2)c1 ZINC000623924229 356791599 /nfs/dbraw/zinc/79/15/99/356791599.db2.gz WBUUUFVBAGAEJQ-IUODEOHRSA-N 0 3 233.355 3.250 20 0 BGADHN CC(C)c1cccc([C@H](C)N[C@@H]2CCOC2)c1 ZINC000623924230 356791854 /nfs/dbraw/zinc/79/18/54/356791854.db2.gz WBUUUFVBAGAEJQ-SWLSCSKDSA-N 0 3 233.355 3.250 20 0 BGADHN CC(C)c1cccc([C@H](C)N[C@H]2CCOC2)c1 ZINC000623924231 356791722 /nfs/dbraw/zinc/79/17/22/356791722.db2.gz WBUUUFVBAGAEJQ-WFASDCNBSA-N 0 3 233.355 3.250 20 0 BGADHN C[C@H](N[C@@H]1CCCc2scnc21)C1CCC1 ZINC000623924673 356799899 /nfs/dbraw/zinc/79/98/99/356799899.db2.gz JXEUPVHNBJNGGF-GXSJLCMTSA-N 0 3 236.384 3.299 20 0 BGADHN C[C@@H](N[C@H]1CCCc2scnc21)C1CCC1 ZINC000623924674 356799939 /nfs/dbraw/zinc/79/99/39/356799939.db2.gz JXEUPVHNBJNGGF-KOLCDFICSA-N 0 3 236.384 3.299 20 0 BGADHN C[C@@H](N[C@@H]1CCCc2scnc21)C1CCC1 ZINC000623924675 356799911 /nfs/dbraw/zinc/79/99/11/356799911.db2.gz JXEUPVHNBJNGGF-MWLCHTKSSA-N 0 3 236.384 3.299 20 0 BGADHN C[C@H](N[C@H]1CCCc2scnc21)C1CCC1 ZINC000623924676 356799986 /nfs/dbraw/zinc/79/99/86/356799986.db2.gz JXEUPVHNBJNGGF-ONGXEEELSA-N 0 3 236.384 3.299 20 0 BGADHN C[C@H](NC1(c2ccccc2)CC1)[C@H]1CCCCO1 ZINC000623935439 357054583 /nfs/dbraw/zinc/05/45/83/357054583.db2.gz CMVSKBJMGOQCBH-DZGCQCFKSA-N 0 3 245.366 3.223 20 0 BGADHN C[C@@H](NC1(c2ccccc2)CC1)[C@@H]1CCCCO1 ZINC000623935440 357054258 /nfs/dbraw/zinc/05/42/58/357054258.db2.gz CMVSKBJMGOQCBH-HIFRSBDPSA-N 0 3 245.366 3.223 20 0 BGADHN C[C@@H](NC1(c2ccccc2)CC1)[C@H]1CCCCO1 ZINC000623935441 357054422 /nfs/dbraw/zinc/05/44/22/357054422.db2.gz CMVSKBJMGOQCBH-UKRRQHHQSA-N 0 3 245.366 3.223 20 0 BGADHN C[C@H](NC1(c2ccccc2)CC1)[C@@H]1CCCCO1 ZINC000623935442 357054413 /nfs/dbraw/zinc/05/44/13/357054413.db2.gz CMVSKBJMGOQCBH-ZFWWWQNUSA-N 0 3 245.366 3.223 20 0 BGADHN c1nc2c(s1)CCC[C@@H]2NC1(C2CC2)CC1 ZINC000623939106 357698306 /nfs/dbraw/zinc/69/83/06/357698306.db2.gz DWYADMYVFNJBID-JTQLQIEISA-N 0 3 234.368 3.053 20 0 BGADHN c1nc2c(s1)CCC[C@H]2NC1(C2CC2)CC1 ZINC000623939107 357698292 /nfs/dbraw/zinc/69/82/92/357698292.db2.gz DWYADMYVFNJBID-SNVBAGLBSA-N 0 3 234.368 3.053 20 0 BGADHN Cc1csc([C@@H](C)NC2(C3CC3)CC2)n1 ZINC000623939246 357731902 /nfs/dbraw/zinc/73/19/02/357731902.db2.gz KDVLJYDIHWVFPL-SECBINFHSA-N 0 3 222.357 3.045 20 0 BGADHN Cc1csc([C@H](C)NC2(C3CC3)CC2)n1 ZINC000623939247 357731646 /nfs/dbraw/zinc/73/16/46/357731646.db2.gz KDVLJYDIHWVFPL-VIFPVBQESA-N 0 3 222.357 3.045 20 0 BGADHN Cc1cc(C)nc(N[C@H](C)[C@H]2CCCCO2)c1 ZINC000623943933 359480596 /nfs/dbraw/zinc/48/05/96/359480596.db2.gz PAAJLHVQRXUKBG-CHWSQXEVSA-N 0 3 234.343 3.068 20 0 BGADHN Cc1cc(C)nc(N[C@H](C)[C@@H]2CCCCO2)c1 ZINC000623943934 359480561 /nfs/dbraw/zinc/48/05/61/359480561.db2.gz PAAJLHVQRXUKBG-OLZOCXBDSA-N 0 3 234.343 3.068 20 0 BGADHN Cc1cc(C)nc(N[C@@H](C)[C@H]2CCCCO2)c1 ZINC000623943935 359480942 /nfs/dbraw/zinc/48/09/42/359480942.db2.gz PAAJLHVQRXUKBG-QWHCGFSZSA-N 0 3 234.343 3.068 20 0 BGADHN Cc1cc(C)nc(N[C@@H](C)[C@@H]2CCCCO2)c1 ZINC000623943936 359481008 /nfs/dbraw/zinc/48/10/08/359481008.db2.gz PAAJLHVQRXUKBG-STQMWFEESA-N 0 3 234.343 3.068 20 0 BGADHN CC(C)=CCCN[C@@H]1CCCc2scnc21 ZINC000623968679 371205297 /nfs/dbraw/zinc/20/52/97/371205297.db2.gz KILKLEWBNSEALF-LLVKDONJSA-N 0 3 236.384 3.466 20 0 BGADHN CC(C)=CCCN[C@H]1CCCc2scnc21 ZINC000623968680 371205090 /nfs/dbraw/zinc/20/50/90/371205090.db2.gz KILKLEWBNSEALF-NSHDSACASA-N 0 3 236.384 3.466 20 0 BGADHN Cc1csc([C@@H](C)N[C@@H]2CC23CCCC3)n1 ZINC000623970897 371206539 /nfs/dbraw/zinc/20/65/39/371206539.db2.gz CXWOFQIFQFBEFU-GHMZBOCLSA-N 0 3 236.384 3.435 20 0 BGADHN Cc1csc([C@@H](C)N[C@H]2CC23CCCC3)n1 ZINC000623970898 371206515 /nfs/dbraw/zinc/20/65/15/371206515.db2.gz CXWOFQIFQFBEFU-MNOVXSKESA-N 0 3 236.384 3.435 20 0 BGADHN Cc1csc([C@H](C)N[C@H]2CC23CCCC3)n1 ZINC000623970899 371206749 /nfs/dbraw/zinc/20/67/49/371206749.db2.gz CXWOFQIFQFBEFU-QWRGUYRKSA-N 0 3 236.384 3.435 20 0 BGADHN Cc1csc([C@H](C)N[C@@H]2CC23CCCC3)n1 ZINC000623970900 371206341 /nfs/dbraw/zinc/20/63/41/371206341.db2.gz CXWOFQIFQFBEFU-WDEREUQCSA-N 0 3 236.384 3.435 20 0 BGADHN Cc1cscc1CN[C@@H](C)[C@@H]1CCCCO1 ZINC000623971689 371207904 /nfs/dbraw/zinc/20/79/04/371207904.db2.gz CVGBYOSXMQQRRL-AAEUAGOBSA-N 0 3 239.384 3.104 20 0 BGADHN Cc1cscc1CN[C@H](C)[C@H]1CCCCO1 ZINC000623971690 371208224 /nfs/dbraw/zinc/20/82/24/371208224.db2.gz CVGBYOSXMQQRRL-DGCLKSJQSA-N 0 3 239.384 3.104 20 0 BGADHN Cc1cscc1CN[C@@H](C)[C@H]1CCCCO1 ZINC000623971691 371207867 /nfs/dbraw/zinc/20/78/67/371207867.db2.gz CVGBYOSXMQQRRL-WCQYABFASA-N 0 3 239.384 3.104 20 0 BGADHN Cc1cscc1CN[C@H](C)[C@@H]1CCCCO1 ZINC000623971692 371207618 /nfs/dbraw/zinc/20/76/18/371207618.db2.gz CVGBYOSXMQQRRL-YPMHNXCESA-N 0 3 239.384 3.104 20 0 BGADHN Cc1csc([C@@H](C)NCC2(C(F)F)CC2)n1 ZINC000623974489 371209477 /nfs/dbraw/zinc/20/94/77/371209477.db2.gz GHDKGXNSSPUKQZ-MRVPVSSYSA-N 0 3 246.326 3.147 20 0 BGADHN Cc1csc([C@H](C)NCC2(C(F)F)CC2)n1 ZINC000623974490 371209133 /nfs/dbraw/zinc/20/91/33/371209133.db2.gz GHDKGXNSSPUKQZ-QMMMGPOBSA-N 0 3 246.326 3.147 20 0 BGADHN CC1(CCN[C@H]2CCCc3scnc32)CC1 ZINC000623974671 371209649 /nfs/dbraw/zinc/20/96/49/371209649.db2.gz LZHDHHJJIJVOSZ-JTQLQIEISA-N 0 3 236.384 3.300 20 0 BGADHN CC1(CCN[C@@H]2CCCc3scnc32)CC1 ZINC000623974672 371209708 /nfs/dbraw/zinc/20/97/08/371209708.db2.gz LZHDHHJJIJVOSZ-SNVBAGLBSA-N 0 3 236.384 3.300 20 0 BGADHN Cc1csc([C@H](C)NCCC2(C)CC2)n1 ZINC000623975040 371209051 /nfs/dbraw/zinc/20/90/51/371209051.db2.gz XGUSZVYMTBKIOS-JTQLQIEISA-N 0 3 224.373 3.292 20 0 BGADHN Cc1csc([C@@H](C)NCCC2(C)CC2)n1 ZINC000623975041 371208988 /nfs/dbraw/zinc/20/89/88/371208988.db2.gz XGUSZVYMTBKIOS-SNVBAGLBSA-N 0 3 224.373 3.292 20 0 BGADHN Cc1csc([C@H](C)NCCC2(F)CCC2)n1 ZINC000623983844 357685335 /nfs/dbraw/zinc/68/53/35/357685335.db2.gz OHKWXOBBBFLYHB-JTQLQIEISA-N 0 3 242.363 3.384 20 0 BGADHN Cc1csc([C@@H](C)NCCC2(F)CCC2)n1 ZINC000623983845 357685356 /nfs/dbraw/zinc/68/53/56/357685356.db2.gz OHKWXOBBBFLYHB-SNVBAGLBSA-N 0 3 242.363 3.384 20 0 BGADHN Cc1csc([C@H](C)NC2(C(C)C)CC2)n1 ZINC000623989609 371223342 /nfs/dbraw/zinc/22/33/42/371223342.db2.gz BYFYIPRCPMUSBW-JTQLQIEISA-N 0 3 224.373 3.291 20 0 BGADHN Cc1csc([C@@H](C)NC2(C(C)C)CC2)n1 ZINC000623989610 371223796 /nfs/dbraw/zinc/22/37/96/371223796.db2.gz BYFYIPRCPMUSBW-SNVBAGLBSA-N 0 3 224.373 3.291 20 0 BGADHN CC(C)C1(N[C@H]2CCCc3scnc32)CC1 ZINC000623990095 359611536 /nfs/dbraw/zinc/61/15/36/359611536.db2.gz SPZFJAANJJHWEN-JTQLQIEISA-N 0 3 236.384 3.299 20 0 BGADHN CC(C)C1(N[C@@H]2CCCc3scnc32)CC1 ZINC000623990096 359611816 /nfs/dbraw/zinc/61/18/16/359611816.db2.gz SPZFJAANJJHWEN-SNVBAGLBSA-N 0 3 236.384 3.299 20 0 BGADHN CCC1(N[C@@H]2CCCc3scnc32)CC1 ZINC000623992269 371225518 /nfs/dbraw/zinc/22/55/18/371225518.db2.gz JEBAGZWPFAXDKU-SECBINFHSA-N 0 3 222.357 3.053 20 0 BGADHN CCC1(N[C@H]2CCCc3scnc32)CC1 ZINC000623992270 371226093 /nfs/dbraw/zinc/22/60/93/371226093.db2.gz JEBAGZWPFAXDKU-VIFPVBQESA-N 0 3 222.357 3.053 20 0 BGADHN CCC1(N[C@H](C)c2nc(C)cs2)CC1 ZINC000623992556 371226905 /nfs/dbraw/zinc/22/69/05/371226905.db2.gz RVYWTLARSYUVHK-SECBINFHSA-N 0 3 210.346 3.045 20 0 BGADHN CCC1(N[C@@H](C)c2nc(C)cs2)CC1 ZINC000623992557 371227269 /nfs/dbraw/zinc/22/72/69/371227269.db2.gz RVYWTLARSYUVHK-VIFPVBQESA-N 0 3 210.346 3.045 20 0 BGADHN CC[C@@H]1C[C@H]1CN[C@@H](C)c1nc(C)cs1 ZINC000623993719 371228556 /nfs/dbraw/zinc/22/85/56/371228556.db2.gz AVGMAUXXKCWHRS-AXFHLTTASA-N 0 3 224.373 3.148 20 0 BGADHN CC[C@@H]1C[C@H]1CN[C@H](C)c1nc(C)cs1 ZINC000623993720 371227815 /nfs/dbraw/zinc/22/78/15/371227815.db2.gz AVGMAUXXKCWHRS-MXWKQRLJSA-N 0 3 224.373 3.148 20 0 BGADHN CC[C@@H]1C[C@H]1CN[C@@H]1CCCc2scnc21 ZINC000623994212 371228202 /nfs/dbraw/zinc/22/82/02/371228202.db2.gz RXGIUPBKHRYJCS-OUAUKWLOSA-N 0 3 236.384 3.156 20 0 BGADHN CC[C@@H]1C[C@H]1CN[C@H]1CCCc2scnc21 ZINC000623994213 371228571 /nfs/dbraw/zinc/22/85/71/371228571.db2.gz RXGIUPBKHRYJCS-VWYCJHECSA-N 0 3 236.384 3.156 20 0 BGADHN Cc1csc([C@H](C)NC[C@@H]2C[C@H]2C(C)C)n1 ZINC000623995387 370686326 /nfs/dbraw/zinc/68/63/26/370686326.db2.gz XAQGIEOUOSINGQ-SRVKXCTJSA-N 0 3 238.400 3.394 20 0 BGADHN Cc1csc([C@@H](C)NC[C@@H]2C[C@H]2C(C)C)n1 ZINC000623995388 370686978 /nfs/dbraw/zinc/68/69/78/370686978.db2.gz XAQGIEOUOSINGQ-WOPDTQHZSA-N 0 3 238.400 3.394 20 0 BGADHN Cc1csc([C@H](C)NC[C@@H]2C[C@H]2C2CC2)n1 ZINC000623997184 371229817 /nfs/dbraw/zinc/22/98/17/371229817.db2.gz DQWBEMWVZPVBIY-DLOVCJGASA-N 0 3 236.384 3.148 20 0 BGADHN Cc1csc([C@@H](C)NC[C@@H]2C[C@H]2C2CC2)n1 ZINC000623997185 371229850 /nfs/dbraw/zinc/22/98/50/371229850.db2.gz DQWBEMWVZPVBIY-USWWRNFRSA-N 0 3 236.384 3.148 20 0 BGADHN c1nc2c(s1)CCC[C@H]2NC[C@@H]1C[C@H]1C1CC1 ZINC000623997435 371230632 /nfs/dbraw/zinc/23/06/32/371230632.db2.gz MPZBDGPTWLIRNS-SDDRHHMPSA-N 0 3 248.395 3.156 20 0 BGADHN c1nc2c(s1)CCC[C@@H]2NC[C@@H]1C[C@H]1C1CC1 ZINC000623997436 371231166 /nfs/dbraw/zinc/23/11/66/371231166.db2.gz MPZBDGPTWLIRNS-SRVKXCTJSA-N 0 3 248.395 3.156 20 0 BGADHN c1nc2c(s1)CCC[C@H]2N[C@@H]1CCC[C@H]2C[C@H]21 ZINC000623998891 371232452 /nfs/dbraw/zinc/23/24/52/371232452.db2.gz FEUVPFIWQPFLBJ-IRCOFANPSA-N 0 3 248.395 3.299 20 0 BGADHN c1nc2c(s1)CCC[C@@H]2N[C@@H]1CCC[C@H]2C[C@H]21 ZINC000623998892 371231827 /nfs/dbraw/zinc/23/18/27/371231827.db2.gz FEUVPFIWQPFLBJ-QCNOEVLYSA-N 0 3 248.395 3.299 20 0 BGADHN c1nc2c(s1)CCC[C@@H]2N[C@H]1CCC[C@H]2C[C@H]21 ZINC000623998893 371231670 /nfs/dbraw/zinc/23/16/70/371231670.db2.gz FEUVPFIWQPFLBJ-USZNOCQGSA-N 0 3 248.395 3.299 20 0 BGADHN c1nc2c(s1)CCC[C@H]2N[C@H]1CCC[C@H]2C[C@H]21 ZINC000623998894 371232082 /nfs/dbraw/zinc/23/20/82/371232082.db2.gz FEUVPFIWQPFLBJ-WHOHXGKFSA-N 0 3 248.395 3.299 20 0 BGADHN Cc1csc([C@@H](C)N[C@@H]2C[C@H]2C2CCC2)n1 ZINC000624003882 371240327 /nfs/dbraw/zinc/24/03/27/371240327.db2.gz NFKPTDBIGZNAAC-ADEWGFFLSA-N 0 3 236.384 3.291 20 0 BGADHN Cc1csc([C@H](C)N[C@@H]2C[C@H]2C2CCC2)n1 ZINC000624003883 371240310 /nfs/dbraw/zinc/24/03/10/371240310.db2.gz NFKPTDBIGZNAAC-ZMLRMANQSA-N 0 3 236.384 3.291 20 0 BGADHN c1nc2c(s1)CCC[C@H]2N[C@@H]1C[C@H]1C1CCC1 ZINC000624003993 371240666 /nfs/dbraw/zinc/24/06/66/371240666.db2.gz RHPKSJQVCMGIQM-QJPTWQEYSA-N 0 3 248.395 3.299 20 0 BGADHN c1nc2c(s1)CCC[C@@H]2N[C@@H]1C[C@H]1C1CCC1 ZINC000624003994 371240359 /nfs/dbraw/zinc/24/03/59/371240359.db2.gz RHPKSJQVCMGIQM-SDDRHHMPSA-N 0 3 248.395 3.299 20 0 BGADHN Cc1csc([C@H](C)NC[C@H](C)CC(F)F)n1 ZINC000624005438 371243654 /nfs/dbraw/zinc/24/36/54/371243654.db2.gz RDHKFQQXBHLICT-APPZFPTMSA-N 0 3 248.342 3.393 20 0 BGADHN Cc1csc([C@H](C)NC[C@@H](C)CC(F)F)n1 ZINC000624005439 371242728 /nfs/dbraw/zinc/24/27/28/371242728.db2.gz RDHKFQQXBHLICT-CBAPKCEASA-N 0 3 248.342 3.393 20 0 BGADHN Cc1csc([C@@H](C)NC[C@@H](C)CC(F)F)n1 ZINC000624005440 371243155 /nfs/dbraw/zinc/24/31/55/371243155.db2.gz RDHKFQQXBHLICT-IONNQARKSA-N 0 3 248.342 3.393 20 0 BGADHN Cc1csc([C@@H](C)NC[C@H](C)CC(F)F)n1 ZINC000624005441 371243257 /nfs/dbraw/zinc/24/32/57/371243257.db2.gz RDHKFQQXBHLICT-VXNVDRBHSA-N 0 3 248.342 3.393 20 0 BGADHN c1nc2c(s1)CCC[C@@H]2N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000624005884 368944688 /nfs/dbraw/zinc/94/46/88/368944688.db2.gz FIEUDTVEOKXSDH-KKOKHZNYSA-N 0 3 248.395 3.299 20 0 BGADHN c1nc2c(s1)CCC[C@@H]2N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000624005887 368943571 /nfs/dbraw/zinc/94/35/71/368943571.db2.gz FIEUDTVEOKXSDH-YFKTTZPYSA-N 0 3 248.395 3.299 20 0 BGADHN Cc1csc([C@H](C)N[C@@H]2CC[C@H]3C[C@H]3C2)n1 ZINC000624006233 371242689 /nfs/dbraw/zinc/24/26/89/371242689.db2.gz PZEBINIDCDGWER-FIQHERPVSA-N 0 3 236.384 3.291 20 0 BGADHN Cc1csc([C@H](C)N[C@@H]2CC[C@@H]3C[C@@H]3C2)n1 ZINC000624006234 371242638 /nfs/dbraw/zinc/24/26/38/371242638.db2.gz PZEBINIDCDGWER-IRCOFANPSA-N 0 3 236.384 3.291 20 0 BGADHN Cc1csc([C@H](C)NC2(C3CCC3)CC2)n1 ZINC000624006693 368956176 /nfs/dbraw/zinc/95/61/76/368956176.db2.gz CBASAJDQAPGTNT-JTQLQIEISA-N 0 3 236.384 3.435 20 0 BGADHN Cc1csc([C@@H](C)NC2(C3CCC3)CC2)n1 ZINC000624006694 368956712 /nfs/dbraw/zinc/95/67/12/368956712.db2.gz CBASAJDQAPGTNT-SNVBAGLBSA-N 0 3 236.384 3.435 20 0 BGADHN c1nc2c(s1)CCC[C@H]2NC1(C2CCC2)CC1 ZINC000624007332 371244949 /nfs/dbraw/zinc/24/49/49/371244949.db2.gz SOTBETQHICYVLZ-LLVKDONJSA-N 0 3 248.395 3.443 20 0 BGADHN c1nc2c(s1)CCC[C@@H]2NC1(C2CCC2)CC1 ZINC000624007333 371244962 /nfs/dbraw/zinc/24/49/62/371244962.db2.gz SOTBETQHICYVLZ-NSHDSACASA-N 0 3 248.395 3.443 20 0 BGADHN c1nc2c(s1)CCC[C@H]2NC1CC2(CCC2)C1 ZINC000624008030 371244336 /nfs/dbraw/zinc/24/43/36/371244336.db2.gz LELFWHQWOTWMOY-LLVKDONJSA-N 0 3 248.395 3.443 20 0 BGADHN c1nc2c(s1)CCC[C@@H]2NC1CC2(CCC2)C1 ZINC000624008031 371244428 /nfs/dbraw/zinc/24/44/28/371244428.db2.gz LELFWHQWOTWMOY-NSHDSACASA-N 0 3 248.395 3.443 20 0 BGADHN CC(C)c1cccc([C@@H](C)NC/C=C\CO)c1 ZINC000624011671 371247600 /nfs/dbraw/zinc/24/76/00/371247600.db2.gz GFKWPKROSHMBRQ-DSYXLKISSA-N 0 3 233.355 3.009 20 0 BGADHN CC(C)c1cccc([C@H](C)NC/C=C/CO)c1 ZINC000624011672 371247313 /nfs/dbraw/zinc/24/73/13/371247313.db2.gz GFKWPKROSHMBRQ-IHVVCDCBSA-N 0 3 233.355 3.009 20 0 BGADHN CC(C)c1cccc([C@@H](C)NC/C=C/CO)c1 ZINC000624011673 371247351 /nfs/dbraw/zinc/24/73/51/371247351.db2.gz GFKWPKROSHMBRQ-MUBLQREKSA-N 0 3 233.355 3.009 20 0 BGADHN CC(C)c1cccc([C@H](C)NC/C=C\CO)c1 ZINC000624011674 371247489 /nfs/dbraw/zinc/24/74/89/371247489.db2.gz GFKWPKROSHMBRQ-ZFDPJTLLSA-N 0 3 233.355 3.009 20 0 BGADHN CC[C@H](C)c1ccc([C@H](C)NC/C=C/CO)cc1 ZINC000624012231 346874517 /nfs/dbraw/zinc/87/45/17/346874517.db2.gz USLLLRHLUYMDRW-BEVHLOIGSA-N 0 3 247.382 3.399 20 0 BGADHN CC[C@H](C)c1ccc([C@@H](C)NC/C=C/CO)cc1 ZINC000624012232 346874452 /nfs/dbraw/zinc/87/44/52/346874452.db2.gz USLLLRHLUYMDRW-BUHQSOCUSA-N 0 3 247.382 3.399 20 0 BGADHN CC[C@H](C)c1ccc([C@H](C)NC/C=C\CO)cc1 ZINC000624012233 346874686 /nfs/dbraw/zinc/87/46/86/346874686.db2.gz USLLLRHLUYMDRW-LAWSMPECSA-N 0 3 247.382 3.399 20 0 BGADHN CC[C@H](C)c1ccc([C@@H](C)NC/C=C\CO)cc1 ZINC000624012234 346874605 /nfs/dbraw/zinc/87/46/05/346874605.db2.gz USLLLRHLUYMDRW-MEWZEZIVSA-N 0 3 247.382 3.399 20 0 BGADHN CC(C)(F)CCN[C@@H]1CCCc2scnc21 ZINC000624013113 371248669 /nfs/dbraw/zinc/24/86/69/371248669.db2.gz UAZKGBMJRQREGK-SECBINFHSA-N 0 3 242.363 3.248 20 0 BGADHN CC(C)(F)CCN[C@H]1CCCc2scnc21 ZINC000624013114 371248838 /nfs/dbraw/zinc/24/88/38/371248838.db2.gz UAZKGBMJRQREGK-VIFPVBQESA-N 0 3 242.363 3.248 20 0 BGADHN Cc1csc([C@@H](C)NCCC(C)(C)F)n1 ZINC000624013339 371248699 /nfs/dbraw/zinc/24/86/99/371248699.db2.gz ZZYWZIJDIOQIIQ-SECBINFHSA-N 0 3 230.352 3.240 20 0 BGADHN Cc1csc([C@H](C)NCCC(C)(C)F)n1 ZINC000624013340 371248827 /nfs/dbraw/zinc/24/88/27/371248827.db2.gz ZZYWZIJDIOQIIQ-VIFPVBQESA-N 0 3 230.352 3.240 20 0 BGADHN Cc1csc([C@@H](C)NC[C@@]2(C)CC2(F)F)n1 ZINC000624013735 346901030 /nfs/dbraw/zinc/90/10/30/346901030.db2.gz HZLAQRUCZLQOQF-PSASIEDQSA-N 0 3 246.326 3.147 20 0 BGADHN Cc1csc([C@@H](C)NC[C@]2(C)CC2(F)F)n1 ZINC000624013736 346901256 /nfs/dbraw/zinc/90/12/56/346901256.db2.gz HZLAQRUCZLQOQF-SCZZXKLOSA-N 0 3 246.326 3.147 20 0 BGADHN Cc1csc([C@H](C)NC[C@@]2(C)CC2(F)F)n1 ZINC000624013737 346901477 /nfs/dbraw/zinc/90/14/77/346901477.db2.gz HZLAQRUCZLQOQF-WCBMZHEXSA-N 0 3 246.326 3.147 20 0 BGADHN Cc1csc([C@H](C)NC[C@]2(C)CC2(F)F)n1 ZINC000624013738 346901407 /nfs/dbraw/zinc/90/14/07/346901407.db2.gz HZLAQRUCZLQOQF-WPRPVWTQSA-N 0 3 246.326 3.147 20 0 BGADHN CC[C@@H](N[C@@H]1CCCc2scnc21)C1CC1 ZINC000624014029 371249153 /nfs/dbraw/zinc/24/91/53/371249153.db2.gz PIHISZYMLHOHRE-GHMZBOCLSA-N 0 3 236.384 3.299 20 0 BGADHN CC[C@@H](N[C@H]1CCCc2scnc21)C1CC1 ZINC000624014030 371248377 /nfs/dbraw/zinc/24/83/77/371248377.db2.gz PIHISZYMLHOHRE-MNOVXSKESA-N 0 3 236.384 3.299 20 0 BGADHN CC[C@H](N[C@H]1CCCc2scnc21)C1CC1 ZINC000624014031 346904212 /nfs/dbraw/zinc/90/42/12/346904212.db2.gz PIHISZYMLHOHRE-QWRGUYRKSA-N 0 3 236.384 3.299 20 0 BGADHN CC[C@H](N[C@@H]1CCCc2scnc21)C1CC1 ZINC000624014032 346904630 /nfs/dbraw/zinc/90/46/30/346904630.db2.gz PIHISZYMLHOHRE-WDEREUQCSA-N 0 3 236.384 3.299 20 0 BGADHN Cc1csc([C@@H](C)N[C@]2(C)CC2(C)C)n1 ZINC000624016224 371249925 /nfs/dbraw/zinc/24/99/25/371249925.db2.gz RJBRXQXMAJDYMA-BXKDBHETSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1csc([C@H](C)N[C@@]2(C)CC2(C)C)n1 ZINC000624016225 371250580 /nfs/dbraw/zinc/25/05/80/371250580.db2.gz RJBRXQXMAJDYMA-CABZTGNLSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1csc([C@H](C)N[C@]2(C)CC2(C)C)n1 ZINC000624016226 371250037 /nfs/dbraw/zinc/25/00/37/371250037.db2.gz RJBRXQXMAJDYMA-JOYOIKCWSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1csc([C@@H](C)N[C@@]2(C)CC2(C)C)n1 ZINC000624016227 371250712 /nfs/dbraw/zinc/25/07/12/371250712.db2.gz RJBRXQXMAJDYMA-SKDRFNHKSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1csc([C@H](C)NCC2CC(C)C2)n1 ZINC000624016680 347080474 /nfs/dbraw/zinc/08/04/74/347080474.db2.gz ASBGJUPXNCZJPF-JZQLECPJSA-N 0 3 224.373 3.148 20 0 BGADHN Cc1csc([C@@H](C)NCC2CC(C)C2)n1 ZINC000624016681 347080612 /nfs/dbraw/zinc/08/06/12/347080612.db2.gz ASBGJUPXNCZJPF-LDGBHUKOSA-N 0 3 224.373 3.148 20 0 BGADHN CC[C@H](C)c1ccc([C@H](C)N[C@H]2C[C@H](O)C2)cc1 ZINC000624016696 371251654 /nfs/dbraw/zinc/25/16/54/371251654.db2.gz BOGHPQKQKHHBRJ-APYUEPQZSA-N 0 3 247.382 3.374 20 0 BGADHN CC[C@@H](C)c1ccc([C@@H](C)N[C@H]2C[C@H](O)C2)cc1 ZINC000624016697 371252012 /nfs/dbraw/zinc/25/20/12/371252012.db2.gz BOGHPQKQKHHBRJ-CZPYZCIJSA-N 0 3 247.382 3.374 20 0 BGADHN CC[C@@H](C)c1ccc([C@H](C)N[C@H]2C[C@H](O)C2)cc1 ZINC000624016698 347080678 /nfs/dbraw/zinc/08/06/78/347080678.db2.gz BOGHPQKQKHHBRJ-NOXHYTERSA-N 0 3 247.382 3.374 20 0 BGADHN CC[C@H](C)c1ccc([C@@H](C)N[C@H]2C[C@H](O)C2)cc1 ZINC000624016699 347080695 /nfs/dbraw/zinc/08/06/95/347080695.db2.gz BOGHPQKQKHHBRJ-VZAMPYOESA-N 0 3 247.382 3.374 20 0 BGADHN Cc1csc([C@@H](C)NCC[C@H]2CC2(F)F)n1 ZINC000624016962 371252052 /nfs/dbraw/zinc/25/20/52/371252052.db2.gz LBAIYTUDBHRKNZ-BDAKNGLRSA-N 0 3 246.326 3.147 20 0 BGADHN Cc1csc([C@H](C)NCC[C@@H]2CC2(F)F)n1 ZINC000624016963 371251168 /nfs/dbraw/zinc/25/11/68/371251168.db2.gz LBAIYTUDBHRKNZ-DTWKUNHWSA-N 0 3 246.326 3.147 20 0 BGADHN Cc1csc([C@H](C)NCC[C@H]2CC2(F)F)n1 ZINC000624016964 371251602 /nfs/dbraw/zinc/25/16/02/371251602.db2.gz LBAIYTUDBHRKNZ-IUCAKERBSA-N 0 3 246.326 3.147 20 0 BGADHN Cc1csc([C@@H](C)NCC[C@@H]2CC2(F)F)n1 ZINC000624016965 371251203 /nfs/dbraw/zinc/25/12/03/371251203.db2.gz LBAIYTUDBHRKNZ-RKDXNWHRSA-N 0 3 246.326 3.147 20 0 BGADHN CC1CC(CN[C@H]2CCCc3scnc32)C1 ZINC000624017063 371252215 /nfs/dbraw/zinc/25/22/15/371252215.db2.gz NSAICVZJOHZCBO-ILDUYXDCSA-N 0 3 236.384 3.156 20 0 BGADHN CC1CC(CN[C@@H]2CCCc3scnc32)C1 ZINC000624017064 371251360 /nfs/dbraw/zinc/25/13/60/371251360.db2.gz NSAICVZJOHZCBO-VQXHTEKXSA-N 0 3 236.384 3.156 20 0 BGADHN CC1(C)CC(N[C@H]2CCCc3scnc32)C1 ZINC000624017149 371252161 /nfs/dbraw/zinc/25/21/61/371252161.db2.gz QRIJQBLHPDKOPY-JTQLQIEISA-N 0 3 236.384 3.299 20 0 BGADHN CC1(C)CC(N[C@@H]2CCCc3scnc32)C1 ZINC000624017150 371252178 /nfs/dbraw/zinc/25/21/78/371252178.db2.gz QRIJQBLHPDKOPY-SNVBAGLBSA-N 0 3 236.384 3.299 20 0 BGADHN FC(F)C1CCC(NCc2ccns2)CC1 ZINC000624046711 371270124 /nfs/dbraw/zinc/27/01/24/371270124.db2.gz IOGNQVIEYUTTLE-UHFFFAOYSA-N 0 3 246.326 3.057 20 0 BGADHN CCC(C)(C)[C@@H](C)NCc1ccns1 ZINC000624046717 371271778 /nfs/dbraw/zinc/27/17/78/371271778.db2.gz ITNMFZUMVWLCEC-SECBINFHSA-N 0 3 212.362 3.057 20 0 BGADHN CCC(C)(C)[C@H](C)NCc1ccns1 ZINC000624046718 371272321 /nfs/dbraw/zinc/27/23/21/371272321.db2.gz ITNMFZUMVWLCEC-VIFPVBQESA-N 0 3 212.362 3.057 20 0 BGADHN C[C@H](NCc1ccns1)[C@@H](C)c1ccccc1 ZINC000624047633 371272128 /nfs/dbraw/zinc/27/21/28/371272128.db2.gz JRIZEHIGPGRGSI-NEPJUHHUSA-N 0 3 246.379 3.425 20 0 BGADHN C[C@@H](NCc1ccns1)[C@H](C)c1ccccc1 ZINC000624047634 371271621 /nfs/dbraw/zinc/27/16/21/371271621.db2.gz JRIZEHIGPGRGSI-NWDGAFQWSA-N 0 3 246.379 3.425 20 0 BGADHN C[C@H](c1ccccc1)[C@H](C)NCc1ccns1 ZINC000624047635 371272236 /nfs/dbraw/zinc/27/22/36/371272236.db2.gz JRIZEHIGPGRGSI-RYUDHWBXSA-N 0 3 246.379 3.425 20 0 BGADHN C[C@@H](NCc1ccns1)[C@@H](C)c1ccccc1 ZINC000624047636 371272264 /nfs/dbraw/zinc/27/22/64/371272264.db2.gz JRIZEHIGPGRGSI-VXGBXAGGSA-N 0 3 246.379 3.425 20 0 BGADHN CCC[C@H](CN[C@H](C)c1ccc(C)o1)OCC ZINC000624048117 371273774 /nfs/dbraw/zinc/27/37/74/371273774.db2.gz CIRFGEKXNCUJIG-CHWSQXEVSA-N 0 3 239.359 3.444 20 0 BGADHN CCC[C@@H](CN[C@H](C)c1ccc(C)o1)OCC ZINC000624048118 371273189 /nfs/dbraw/zinc/27/31/89/371273189.db2.gz CIRFGEKXNCUJIG-OLZOCXBDSA-N 0 3 239.359 3.444 20 0 BGADHN CCC[C@H](CN[C@@H](C)c1ccc(C)o1)OCC ZINC000624048119 371273297 /nfs/dbraw/zinc/27/32/97/371273297.db2.gz CIRFGEKXNCUJIG-QWHCGFSZSA-N 0 3 239.359 3.444 20 0 BGADHN CCC[C@@H](CN[C@@H](C)c1ccc(C)o1)OCC ZINC000624048120 371273863 /nfs/dbraw/zinc/27/38/63/371273863.db2.gz CIRFGEKXNCUJIG-STQMWFEESA-N 0 3 239.359 3.444 20 0 BGADHN CC(C)=CCC[C@@H](C)NCc1ccns1 ZINC000624048355 371273500 /nfs/dbraw/zinc/27/35/00/371273500.db2.gz JOMLNJKYCQEIPU-LLVKDONJSA-N 0 3 224.373 3.368 20 0 BGADHN CC(C)=CCC[C@H](C)NCc1ccns1 ZINC000624048356 371273552 /nfs/dbraw/zinc/27/35/52/371273552.db2.gz JOMLNJKYCQEIPU-NSHDSACASA-N 0 3 224.373 3.368 20 0 BGADHN CCC[C@@H](CN[C@H](C)c1ccco1)OCC ZINC000624048388 371275231 /nfs/dbraw/zinc/27/52/31/371275231.db2.gz JXZZITOABFGBRE-NEPJUHHUSA-N 0 3 225.332 3.135 20 0 BGADHN CCC[C@H](CN[C@@H](C)c1ccco1)OCC ZINC000624048389 371275021 /nfs/dbraw/zinc/27/50/21/371275021.db2.gz JXZZITOABFGBRE-NWDGAFQWSA-N 0 3 225.332 3.135 20 0 BGADHN CCC[C@@H](CN[C@@H](C)c1ccco1)OCC ZINC000624048390 371274769 /nfs/dbraw/zinc/27/47/69/371274769.db2.gz JXZZITOABFGBRE-RYUDHWBXSA-N 0 3 225.332 3.135 20 0 BGADHN CCC[C@H](CN[C@H](C)c1ccco1)OCC ZINC000624048391 371275256 /nfs/dbraw/zinc/27/52/56/371275256.db2.gz JXZZITOABFGBRE-VXGBXAGGSA-N 0 3 225.332 3.135 20 0 BGADHN CCC[C@@H](CN[C@@H](C)c1ccoc1)OCC ZINC000624049148 342875187 /nfs/dbraw/zinc/87/51/87/342875187.db2.gz AIBBZABFQHFVSU-AAEUAGOBSA-N 0 3 225.332 3.135 20 0 BGADHN CCC[C@H](CN[C@H](C)c1ccoc1)OCC ZINC000624049149 342875010 /nfs/dbraw/zinc/87/50/10/342875010.db2.gz AIBBZABFQHFVSU-DGCLKSJQSA-N 0 3 225.332 3.135 20 0 BGADHN CCC[C@H](CN[C@@H](C)c1ccoc1)OCC ZINC000624049150 342875121 /nfs/dbraw/zinc/87/51/21/342875121.db2.gz AIBBZABFQHFVSU-WCQYABFASA-N 0 3 225.332 3.135 20 0 BGADHN CCC[C@@H](CN[C@H](C)c1ccoc1)OCC ZINC000624049151 342875154 /nfs/dbraw/zinc/87/51/54/342875154.db2.gz AIBBZABFQHFVSU-YPMHNXCESA-N 0 3 225.332 3.135 20 0 BGADHN COc1cccc(CN[C@@H]2CCCC23CC3)c1F ZINC000624052117 371277167 /nfs/dbraw/zinc/27/71/67/371277167.db2.gz YAGPJYVHCWAPSX-CYBMUJFWSA-N 0 3 249.329 3.257 20 0 BGADHN COc1cccc(CN[C@H]2CCCC23CC3)c1F ZINC000624052118 371277624 /nfs/dbraw/zinc/27/76/24/371277624.db2.gz YAGPJYVHCWAPSX-ZDUSSCGKSA-N 0 3 249.329 3.257 20 0 BGADHN C1=CCC(CN[C@@H]2CCCc3scnc32)C1 ZINC000624077063 398326583 /nfs/dbraw/zinc/32/65/83/398326583.db2.gz QDTWJAGHKJHUBV-LLVKDONJSA-N 0 3 234.368 3.076 20 0 BGADHN C1=CCC(CN[C@H]2CCCc3scnc32)C1 ZINC000624077064 384901021 /nfs/dbraw/zinc/90/10/21/384901021.db2.gz QDTWJAGHKJHUBV-NSHDSACASA-N 0 3 234.368 3.076 20 0 BGADHN c1ccc([C@H](N[C@H]2CCSC2)C2CCC2)nc1 ZINC000624103898 371309554 /nfs/dbraw/zinc/30/95/54/371309554.db2.gz RCMQGPRAJDYAGA-GXTWGEPZSA-N 0 3 248.395 3.018 20 0 BGADHN c1ccc([C@@H](N[C@H]2CCSC2)C2CCC2)nc1 ZINC000624103899 344658435 /nfs/dbraw/zinc/65/84/35/344658435.db2.gz RCMQGPRAJDYAGA-JSGCOSHPSA-N 0 3 248.395 3.018 20 0 BGADHN c1ccc([C@@H](N[C@@H]2CCSC2)C2CCC2)nc1 ZINC000624103900 344658671 /nfs/dbraw/zinc/65/86/71/344658671.db2.gz RCMQGPRAJDYAGA-OCCSQVGLSA-N 0 3 248.395 3.018 20 0 BGADHN c1ccc([C@H](N[C@@H]2CCSC2)C2CCC2)nc1 ZINC000624103901 344658736 /nfs/dbraw/zinc/65/87/36/344658736.db2.gz RCMQGPRAJDYAGA-TZMCWYRMSA-N 0 3 248.395 3.018 20 0 BGADHN Cc1ccc([C@@H](C)N[C@@H](CO)CCC(C)C)o1 ZINC000624108958 371313605 /nfs/dbraw/zinc/31/36/05/371313605.db2.gz JLEGXCWVTVYNHZ-CHWSQXEVSA-N 0 3 239.359 3.036 20 0 BGADHN Cc1ccc([C@@H](C)N[C@H](CO)CCC(C)C)o1 ZINC000624108959 371313327 /nfs/dbraw/zinc/31/33/27/371313327.db2.gz JLEGXCWVTVYNHZ-OLZOCXBDSA-N 0 3 239.359 3.036 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H](CO)CCC(C)C)o1 ZINC000624108960 371313484 /nfs/dbraw/zinc/31/34/84/371313484.db2.gz JLEGXCWVTVYNHZ-QWHCGFSZSA-N 0 3 239.359 3.036 20 0 BGADHN Cc1ccc([C@H](C)N[C@H](CO)CCC(C)C)o1 ZINC000624108961 371313014 /nfs/dbraw/zinc/31/30/14/371313014.db2.gz JLEGXCWVTVYNHZ-STQMWFEESA-N 0 3 239.359 3.036 20 0 BGADHN CC(C)CC[C@@H](CO)N[C@@H](C)c1ccsc1 ZINC000624109183 371313213 /nfs/dbraw/zinc/31/32/13/371313213.db2.gz PJEMJEQUBSOCFQ-AAEUAGOBSA-N 0 3 241.400 3.196 20 0 BGADHN CC(C)CC[C@H](CO)N[C@H](C)c1ccsc1 ZINC000624109184 371313276 /nfs/dbraw/zinc/31/32/76/371313276.db2.gz PJEMJEQUBSOCFQ-DGCLKSJQSA-N 0 3 241.400 3.196 20 0 BGADHN CC(C)CC[C@H](CO)N[C@@H](C)c1ccsc1 ZINC000624109185 371313722 /nfs/dbraw/zinc/31/37/22/371313722.db2.gz PJEMJEQUBSOCFQ-WCQYABFASA-N 0 3 241.400 3.196 20 0 BGADHN CC(C)CC[C@@H](CO)N[C@H](C)c1ccsc1 ZINC000624109186 371313511 /nfs/dbraw/zinc/31/35/11/371313511.db2.gz PJEMJEQUBSOCFQ-YPMHNXCESA-N 0 3 241.400 3.196 20 0 BGADHN CCC(F)(F)CN[C@@H](C(C)C)C1CC1 ZINC000624147703 371342902 /nfs/dbraw/zinc/34/29/02/371342902.db2.gz IRVUIZNSSLWJIH-JTQLQIEISA-N 0 3 205.292 3.056 20 0 BGADHN CCC(F)(F)CN[C@H](C(C)C)C1CC1 ZINC000624147704 371343235 /nfs/dbraw/zinc/34/32/35/371343235.db2.gz IRVUIZNSSLWJIH-SNVBAGLBSA-N 0 3 205.292 3.056 20 0 BGADHN CCC(F)(F)CN[C@@H](C1CC1)C1CCC1 ZINC000624148403 371344980 /nfs/dbraw/zinc/34/49/80/371344980.db2.gz CTRYOULDRCOTGA-LLVKDONJSA-N 0 3 217.303 3.200 20 0 BGADHN CCC(F)(F)CN[C@H](C1CC1)C1CCC1 ZINC000624148404 371344755 /nfs/dbraw/zinc/34/47/55/371344755.db2.gz CTRYOULDRCOTGA-NSHDSACASA-N 0 3 217.303 3.200 20 0 BGADHN c1cn2c(n1)[C@@H](NCC[C@H]1CC=CCC1)CCC2 ZINC000624158018 371351827 /nfs/dbraw/zinc/35/18/27/371351827.db2.gz KDXQTCCPGJUUDP-KBPBESRZSA-N 0 3 245.370 3.054 20 0 BGADHN c1cn2c(n1)[C@@H](NCC[C@@H]1CC=CCC1)CCC2 ZINC000624158019 371352200 /nfs/dbraw/zinc/35/22/00/371352200.db2.gz KDXQTCCPGJUUDP-KGLIPLIRSA-N 0 3 245.370 3.054 20 0 BGADHN c1cn2c(n1)[C@H](NCC[C@H]1CC=CCC1)CCC2 ZINC000624158020 371351884 /nfs/dbraw/zinc/35/18/84/371351884.db2.gz KDXQTCCPGJUUDP-UONOGXRCSA-N 0 3 245.370 3.054 20 0 BGADHN c1cn2c(n1)[C@H](NCC[C@@H]1CC=CCC1)CCC2 ZINC000624158021 371351670 /nfs/dbraw/zinc/35/16/70/371351670.db2.gz KDXQTCCPGJUUDP-ZIAGYGMSSA-N 0 3 245.370 3.054 20 0 BGADHN C/C=C\CN[C@H]1CCCOc2ccc(C)cc21 ZINC000624197070 342783396 /nfs/dbraw/zinc/78/33/96/342783396.db2.gz ABAPNSVZJBVGSF-NQHOJNORSA-N 0 3 231.339 3.374 20 0 BGADHN C/C=C/CN[C@@H]1CCCOc2ccc(C)cc21 ZINC000624197071 342783752 /nfs/dbraw/zinc/78/37/52/342783752.db2.gz ABAPNSVZJBVGSF-RDFMZFSFSA-N 0 3 231.339 3.374 20 0 BGADHN C/C=C\CN[C@@H]1CCCOc2ccc(C)cc21 ZINC000624197072 342783631 /nfs/dbraw/zinc/78/36/31/342783631.db2.gz ABAPNSVZJBVGSF-VQTKUKTRSA-N 0 3 231.339 3.374 20 0 BGADHN C/C=C/CN[C@H]1CCCOc2ccc(C)cc21 ZINC000624197073 342783624 /nfs/dbraw/zinc/78/36/24/342783624.db2.gz ABAPNSVZJBVGSF-XGACYXMMSA-N 0 3 231.339 3.374 20 0 BGADHN C/C=C\CN[C@H]1CCCOc2cc(C)ccc21 ZINC000624197098 371384867 /nfs/dbraw/zinc/38/48/67/371384867.db2.gz ARRXAJGEDKFCKG-NQHOJNORSA-N 0 3 231.339 3.374 20 0 BGADHN C/C=C/CN[C@@H]1CCCOc2cc(C)ccc21 ZINC000624197099 371385170 /nfs/dbraw/zinc/38/51/70/371385170.db2.gz ARRXAJGEDKFCKG-RDFMZFSFSA-N 0 3 231.339 3.374 20 0 BGADHN C/C=C\CN[C@@H]1CCCOc2cc(C)ccc21 ZINC000624197100 371384734 /nfs/dbraw/zinc/38/47/34/371384734.db2.gz ARRXAJGEDKFCKG-VQTKUKTRSA-N 0 3 231.339 3.374 20 0 BGADHN C/C=C/CN[C@H]1CCCOc2cc(C)ccc21 ZINC000624197101 371384234 /nfs/dbraw/zinc/38/42/34/371384234.db2.gz ARRXAJGEDKFCKG-XGACYXMMSA-N 0 3 231.339 3.374 20 0 BGADHN C/C=C/CN[C@@H]1CSCCc2ccccc21 ZINC000624197146 371384269 /nfs/dbraw/zinc/38/42/69/371384269.db2.gz BZKTVIJYAQAPAP-BAABZTOOSA-N 0 3 233.380 3.183 20 0 BGADHN C/C=C/CN[C@H]1CSCCc2ccccc21 ZINC000624197147 371385230 /nfs/dbraw/zinc/38/52/30/371385230.db2.gz BZKTVIJYAQAPAP-HSWBROFVSA-N 0 3 233.380 3.183 20 0 BGADHN C/C=C\CN[C@@H]1CSCCc2ccccc21 ZINC000624197148 371384977 /nfs/dbraw/zinc/38/49/77/371384977.db2.gz BZKTVIJYAQAPAP-PYLYLYNFSA-N 0 3 233.380 3.183 20 0 BGADHN C/C=C\CN[C@H]1CSCCc2ccccc21 ZINC000624197149 371383486 /nfs/dbraw/zinc/38/34/86/371383486.db2.gz BZKTVIJYAQAPAP-SFAKSCPVSA-N 0 3 233.380 3.183 20 0 BGADHN C/C=C\CN[C@H]1CCc2c1cccc2C ZINC000624197261 371385063 /nfs/dbraw/zinc/38/50/63/371385063.db2.gz HGZPZLHADACXHD-NQHOJNORSA-N 0 3 201.313 3.148 20 0 BGADHN C/C=C/CN[C@@H]1CCc2c1cccc2C ZINC000624197262 371385050 /nfs/dbraw/zinc/38/50/50/371385050.db2.gz HGZPZLHADACXHD-RDFMZFSFSA-N 0 3 201.313 3.148 20 0 BGADHN C/C=C\CN[C@@H]1CCc2c1cccc2C ZINC000624197263 371384605 /nfs/dbraw/zinc/38/46/05/371384605.db2.gz HGZPZLHADACXHD-VQTKUKTRSA-N 0 3 201.313 3.148 20 0 BGADHN C/C=C/CN[C@H]1CCc2c1cccc2C ZINC000624197264 371385023 /nfs/dbraw/zinc/38/50/23/371385023.db2.gz HGZPZLHADACXHD-XGACYXMMSA-N 0 3 201.313 3.148 20 0 BGADHN C/C=C/CN[C@H]1CCCOc2ccccc21 ZINC000624197289 371384941 /nfs/dbraw/zinc/38/49/41/371384941.db2.gz ICBJEKQIFGFSRH-IBUXWKBASA-N 0 3 217.312 3.066 20 0 BGADHN C/C=C\CN[C@@H]1CCCOc2ccccc21 ZINC000624197290 371385059 /nfs/dbraw/zinc/38/50/59/371385059.db2.gz ICBJEKQIFGFSRH-XQJDBVBESA-N 0 3 217.312 3.066 20 0 BGADHN C/C=C/CN[C@@H]1CCCOc2ccccc21 ZINC000624197291 371385221 /nfs/dbraw/zinc/38/52/21/371385221.db2.gz ICBJEKQIFGFSRH-YWVDXFKGSA-N 0 3 217.312 3.066 20 0 BGADHN C/C=C\CN[C@H]1CCCOc2ccccc21 ZINC000624197292 371384382 /nfs/dbraw/zinc/38/43/82/371384382.db2.gz ICBJEKQIFGFSRH-ZRMMWKCHSA-N 0 3 217.312 3.066 20 0 BGADHN C/C=C\CN[C@H](CC)c1cccc(OC)c1 ZINC000624197332 371385153 /nfs/dbraw/zinc/38/51/53/371385153.db2.gz JREBZWOEROUNSM-KXQLTZBTSA-N 0 3 219.328 3.312 20 0 BGADHN C/C=C\CN[C@@H](CC)c1cccc(OC)c1 ZINC000624197333 371385041 /nfs/dbraw/zinc/38/50/41/371385041.db2.gz JREBZWOEROUNSM-SDQPKGBYSA-N 0 3 219.328 3.312 20 0 BGADHN C/C=C/CN[C@H](CC)c1cccc(OC)c1 ZINC000624197334 371384168 /nfs/dbraw/zinc/38/41/68/371384168.db2.gz JREBZWOEROUNSM-YVARQFDVSA-N 0 3 219.328 3.312 20 0 BGADHN C/C=C/CN[C@@H](CC)c1cccc(OC)c1 ZINC000624197335 371384913 /nfs/dbraw/zinc/38/49/13/371384913.db2.gz JREBZWOEROUNSM-YVZNUBBCSA-N 0 3 219.328 3.312 20 0 BGADHN C/C=C/CN[C@H]1CCCOc2ccc(F)cc21 ZINC000624197336 371385082 /nfs/dbraw/zinc/38/50/82/371385082.db2.gz JUJTUEPGCBEZQA-IBUXWKBASA-N 0 3 235.302 3.205 20 0 BGADHN C/C=C\CN[C@@H]1CCCOc2ccc(F)cc21 ZINC000624197337 371384814 /nfs/dbraw/zinc/38/48/14/371384814.db2.gz JUJTUEPGCBEZQA-XQJDBVBESA-N 0 3 235.302 3.205 20 0 BGADHN C/C=C/CN[C@@H]1CCCOc2ccc(F)cc21 ZINC000624197338 371384282 /nfs/dbraw/zinc/38/42/82/371384282.db2.gz JUJTUEPGCBEZQA-YWVDXFKGSA-N 0 3 235.302 3.205 20 0 BGADHN C/C=C\CN[C@H]1CCCOc2ccc(F)cc21 ZINC000624197339 371384154 /nfs/dbraw/zinc/38/41/54/371384154.db2.gz JUJTUEPGCBEZQA-ZRMMWKCHSA-N 0 3 235.302 3.205 20 0 BGADHN C/C=C/CN[C@H]1CC(C)(C)Cc2occc21 ZINC000624197429 371386520 /nfs/dbraw/zinc/38/65/20/371386520.db2.gz MGCJLJSAPCJLLL-ITKZLYELSA-N 0 3 219.328 3.459 20 0 BGADHN C/C=C\CN[C@@H]1CC(C)(C)Cc2occc21 ZINC000624197430 371386508 /nfs/dbraw/zinc/38/65/08/371386508.db2.gz MGCJLJSAPCJLLL-QMAVJUDZSA-N 0 3 219.328 3.459 20 0 BGADHN C/C=C\CN[C@H]1CC(C)(C)Cc2occc21 ZINC000624197431 371385708 /nfs/dbraw/zinc/38/57/08/371385708.db2.gz MGCJLJSAPCJLLL-RXNFCKPNSA-N 0 3 219.328 3.459 20 0 BGADHN C/C=C/CN[C@@H]1CC(C)(C)Cc2occc21 ZINC000624197432 371385622 /nfs/dbraw/zinc/38/56/22/371385622.db2.gz MGCJLJSAPCJLLL-ZYOFXKKJSA-N 0 3 219.328 3.459 20 0 BGADHN C/C=C\CN[C@H]1CCCc2nc(CC)sc21 ZINC000624197442 371384254 /nfs/dbraw/zinc/38/42/54/371384254.db2.gz MSFVMVYCNQUKRR-ATPLWMGHSA-N 0 3 236.384 3.249 20 0 BGADHN C/C=C/CN[C@H]1CCCc2nc(CC)sc21 ZINC000624197443 371384460 /nfs/dbraw/zinc/38/44/60/371384460.db2.gz MSFVMVYCNQUKRR-GFAPAMAISA-N 0 3 236.384 3.249 20 0 BGADHN C/C=C/CN[C@@H]1CCCc2nc(CC)sc21 ZINC000624197444 371384830 /nfs/dbraw/zinc/38/48/30/371384830.db2.gz MSFVMVYCNQUKRR-RXNUUUNCSA-N 0 3 236.384 3.249 20 0 BGADHN C/C=C\CN[C@@H]1CCCc2nc(CC)sc21 ZINC000624197445 371384899 /nfs/dbraw/zinc/38/48/99/371384899.db2.gz MSFVMVYCNQUKRR-TZGMSPROSA-N 0 3 236.384 3.249 20 0 BGADHN C/C=C\CN[C@@H](C)c1ccc(F)cc1N(C)C ZINC000624197570 371385434 /nfs/dbraw/zinc/38/54/34/371385434.db2.gz PZBXTQRUCZJUFO-GZTOBOFZSA-N 0 3 236.334 3.118 20 0 BGADHN C/C=C\CN[C@H](C)c1ccc(F)cc1N(C)C ZINC000624197571 371386343 /nfs/dbraw/zinc/38/63/43/371386343.db2.gz PZBXTQRUCZJUFO-ISALQUGTSA-N 0 3 236.334 3.118 20 0 BGADHN C/C=C/CN[C@H](C)c1ccc(F)cc1N(C)C ZINC000624197572 371385791 /nfs/dbraw/zinc/38/57/91/371385791.db2.gz PZBXTQRUCZJUFO-MVIFTORASA-N 0 3 236.334 3.118 20 0 BGADHN C/C=C/CN[C@@H](C)c1ccc(F)cc1N(C)C ZINC000624197573 371385893 /nfs/dbraw/zinc/38/58/93/371385893.db2.gz PZBXTQRUCZJUFO-QRGHLMKCSA-N 0 3 236.334 3.118 20 0 BGADHN C/C=C/CN[C@H]1CCc2ccc(Cl)cc21 ZINC000624197649 371386574 /nfs/dbraw/zinc/38/65/74/371386574.db2.gz SHHRBIUITZXDBV-IBUXWKBASA-N 0 3 221.731 3.493 20 0 BGADHN C/C=C\CN[C@@H]1CCc2ccc(Cl)cc21 ZINC000624197650 371385583 /nfs/dbraw/zinc/38/55/83/371385583.db2.gz SHHRBIUITZXDBV-XQJDBVBESA-N 0 3 221.731 3.493 20 0 BGADHN C/C=C/CN[C@@H]1CCc2ccc(Cl)cc21 ZINC000624197651 371385414 /nfs/dbraw/zinc/38/54/14/371385414.db2.gz SHHRBIUITZXDBV-YWVDXFKGSA-N 0 3 221.731 3.493 20 0 BGADHN C/C=C\CN[C@H]1CCc2ccc(Cl)cc21 ZINC000624197652 371386544 /nfs/dbraw/zinc/38/65/44/371386544.db2.gz SHHRBIUITZXDBV-ZRMMWKCHSA-N 0 3 221.731 3.493 20 0 BGADHN C/C=C\CN[C@@H](CCC)c1ccccn1 ZINC000624197796 371385499 /nfs/dbraw/zinc/38/54/99/371385499.db2.gz XGXVVDVRFGVHJM-FHMRSRPSSA-N 0 3 204.317 3.089 20 0 BGADHN C/C=C\CN[C@H](CCC)c1ccccn1 ZINC000624197797 371386384 /nfs/dbraw/zinc/38/63/84/371386384.db2.gz XGXVVDVRFGVHJM-KTLBGCOUSA-N 0 3 204.317 3.089 20 0 BGADHN C/C=C/CN[C@H](CCC)c1ccccn1 ZINC000624197798 371386279 /nfs/dbraw/zinc/38/62/79/371386279.db2.gz XGXVVDVRFGVHJM-OGOUPESXSA-N 0 3 204.317 3.089 20 0 BGADHN C/C=C/CN[C@@H](CCC)c1ccccn1 ZINC000624197799 371385650 /nfs/dbraw/zinc/38/56/50/371385650.db2.gz XGXVVDVRFGVHJM-PYEVWLCESA-N 0 3 204.317 3.089 20 0 BGADHN C/C=C/CN[C@H](C)c1ccc2ccccc2n1 ZINC000624197826 342793449 /nfs/dbraw/zinc/79/34/49/342793449.db2.gz XXLFJKLTCVGMQF-AAOUONPWSA-N 0 3 226.323 3.462 20 0 BGADHN C/C=C\CN[C@@H](C)c1ccc2ccccc2n1 ZINC000624197827 342793369 /nfs/dbraw/zinc/79/33/69/342793369.db2.gz XXLFJKLTCVGMQF-MVZIDQBPSA-N 0 3 226.323 3.462 20 0 BGADHN C/C=C/CN[C@@H](C)c1ccc2ccccc2n1 ZINC000624197828 342793472 /nfs/dbraw/zinc/79/34/72/342793472.db2.gz XXLFJKLTCVGMQF-PCAWENJQSA-N 0 3 226.323 3.462 20 0 BGADHN C/C=C\CN[C@H](C)c1ccc2ccccc2n1 ZINC000624197829 342793454 /nfs/dbraw/zinc/79/34/54/342793454.db2.gz XXLFJKLTCVGMQF-VSQXVHSFSA-N 0 3 226.323 3.462 20 0 BGADHN C/C=C/CN[C@H]1CCc2c1cccc2Cl ZINC000624197852 342793784 /nfs/dbraw/zinc/79/37/84/342793784.db2.gz YNZLVNZOFMFFSC-IBUXWKBASA-N 0 3 221.731 3.493 20 0 BGADHN C/C=C\CN[C@@H]1CCc2c1cccc2Cl ZINC000624197853 342793633 /nfs/dbraw/zinc/79/36/33/342793633.db2.gz YNZLVNZOFMFFSC-XQJDBVBESA-N 0 3 221.731 3.493 20 0 BGADHN C/C=C/CN[C@@H]1CCc2c1cccc2Cl ZINC000624197854 342793677 /nfs/dbraw/zinc/79/36/77/342793677.db2.gz YNZLVNZOFMFFSC-YWVDXFKGSA-N 0 3 221.731 3.493 20 0 BGADHN C/C=C\CN[C@H]1CCc2c1cccc2Cl ZINC000624197855 342793694 /nfs/dbraw/zinc/79/36/94/342793694.db2.gz YNZLVNZOFMFFSC-ZRMMWKCHSA-N 0 3 221.731 3.493 20 0 BGADHN C/C=C/CN[C@@H](C)c1cc2c(s1)CCC2 ZINC000624197871 371386436 /nfs/dbraw/zinc/38/64/36/371386436.db2.gz ZGDMTZZOFOTZJO-FSIBCCDJSA-N 0 3 221.369 3.464 20 0 BGADHN C/C=C/CN[C@H](C)c1cc2c(s1)CCC2 ZINC000624197872 371386611 /nfs/dbraw/zinc/38/66/11/371386611.db2.gz ZGDMTZZOFOTZJO-HMDXOVGESA-N 0 3 221.369 3.464 20 0 BGADHN C/C=C\CN[C@H](C)c1cc2c(s1)CCC2 ZINC000624197873 371385424 /nfs/dbraw/zinc/38/54/24/371385424.db2.gz ZGDMTZZOFOTZJO-UMBAGQNISA-N 0 3 221.369 3.464 20 0 BGADHN C/C=C\CN[C@@H](C)c1cc2c(s1)CCC2 ZINC000624197874 371386258 /nfs/dbraw/zinc/38/62/58/371386258.db2.gz ZGDMTZZOFOTZJO-XOULXFPDSA-N 0 3 221.369 3.464 20 0 BGADHN C/C=C/CN[C@@H](C)c1sc(CC)nc1C ZINC000624197877 371386183 /nfs/dbraw/zinc/38/61/83/371386183.db2.gz ZJFOEENXGIZQSD-IWGCBNPKSA-N 0 3 224.373 3.241 20 0 BGADHN C/C=C\CN[C@@H](C)c1sc(CC)nc1C ZINC000624197878 371386370 /nfs/dbraw/zinc/38/63/70/371386370.db2.gz ZJFOEENXGIZQSD-PGBBXKAQSA-N 0 3 224.373 3.241 20 0 BGADHN C/C=C/CN[C@H](C)c1sc(CC)nc1C ZINC000624197879 371385697 /nfs/dbraw/zinc/38/56/97/371385697.db2.gz ZJFOEENXGIZQSD-VPIOIWJLSA-N 0 3 224.373 3.241 20 0 BGADHN C/C=C\CN[C@H](C)c1sc(CC)nc1C ZINC000624197880 371385949 /nfs/dbraw/zinc/38/59/49/371385949.db2.gz ZJFOEENXGIZQSD-WILPJHFFSA-N 0 3 224.373 3.241 20 0 BGADHN C/C=C/CN[C@H]1CCc2c1cc(F)cc2F ZINC000624197881 371385687 /nfs/dbraw/zinc/38/56/87/371385687.db2.gz ZMBATOSCIOTURB-IBUXWKBASA-N 0 3 223.266 3.118 20 0 BGADHN C/C=C\CN[C@@H]1CCc2c1cc(F)cc2F ZINC000624197882 371386478 /nfs/dbraw/zinc/38/64/78/371386478.db2.gz ZMBATOSCIOTURB-XQJDBVBESA-N 0 3 223.266 3.118 20 0 BGADHN C/C=C/CN[C@@H]1CCc2c1cc(F)cc2F ZINC000624197883 371385463 /nfs/dbraw/zinc/38/54/63/371385463.db2.gz ZMBATOSCIOTURB-YWVDXFKGSA-N 0 3 223.266 3.118 20 0 BGADHN C/C=C\CN[C@H]1CCc2c1cc(F)cc2F ZINC000624197884 371386314 /nfs/dbraw/zinc/38/63/14/371386314.db2.gz ZMBATOSCIOTURB-ZRMMWKCHSA-N 0 3 223.266 3.118 20 0 BGADHN C/C=C\CN[C@H]1CCCOc2ccc(OC)cc21 ZINC000624197889 342793792 /nfs/dbraw/zinc/79/37/92/342793792.db2.gz ZNGBPJVCQZFTQV-NQHOJNORSA-N 0 3 247.338 3.075 20 0 BGADHN C/C=C/CN[C@@H]1CCCOc2ccc(OC)cc21 ZINC000624197890 342793616 /nfs/dbraw/zinc/79/36/16/342793616.db2.gz ZNGBPJVCQZFTQV-RDFMZFSFSA-N 0 3 247.338 3.075 20 0 BGADHN C/C=C\CN[C@@H]1CCCOc2ccc(OC)cc21 ZINC000624197891 342793727 /nfs/dbraw/zinc/79/37/27/342793727.db2.gz ZNGBPJVCQZFTQV-VQTKUKTRSA-N 0 3 247.338 3.075 20 0 BGADHN C/C=C/CN[C@H]1CCCOc2ccc(OC)cc21 ZINC000624197892 342793669 /nfs/dbraw/zinc/79/36/69/342793669.db2.gz ZNGBPJVCQZFTQV-XGACYXMMSA-N 0 3 247.338 3.075 20 0 BGADHN C/C=C/CN[C@@H](C)c1cnn(C(C)(C)C)c1C ZINC000624198037 371386330 /nfs/dbraw/zinc/38/63/30/371386330.db2.gz CSRATUPVROWREE-AEZGRPFRSA-N 0 3 235.375 3.173 20 0 BGADHN C/C=C\CN[C@H](C)c1cnn(C(C)(C)C)c1C ZINC000624198038 371385560 /nfs/dbraw/zinc/38/55/60/371385560.db2.gz CSRATUPVROWREE-SKVAFPRGSA-N 0 3 235.375 3.173 20 0 BGADHN C/C=C\CN[C@@H](C)c1cnn(C(C)(C)C)c1C ZINC000624198039 371385774 /nfs/dbraw/zinc/38/57/74/371385774.db2.gz CSRATUPVROWREE-TVRMLOFPSA-N 0 3 235.375 3.173 20 0 BGADHN C/C=C/CN[C@H](C)c1cnn(C(C)(C)C)c1C ZINC000624198040 371385447 /nfs/dbraw/zinc/38/54/47/371385447.db2.gz CSRATUPVROWREE-WSKFYRRCSA-N 0 3 235.375 3.173 20 0 BGADHN C/C=C\CN[C@@H]1CCSc2ccc(OC)cc21 ZINC000624198056 371387628 /nfs/dbraw/zinc/38/76/28/371387628.db2.gz DBYVUMNADSTJGN-DHCBQETCSA-N 0 3 249.379 3.398 20 0 BGADHN C/C=C/CN[C@@H]1CCSc2ccc(OC)cc21 ZINC000624198057 371387706 /nfs/dbraw/zinc/38/77/06/371387706.db2.gz DBYVUMNADSTJGN-ITDFMYJTSA-N 0 3 249.379 3.398 20 0 BGADHN C/C=C/CN[C@H]1CCSc2ccc(OC)cc21 ZINC000624198058 371387761 /nfs/dbraw/zinc/38/77/61/371387761.db2.gz DBYVUMNADSTJGN-OOPCZODUSA-N 0 3 249.379 3.398 20 0 BGADHN C/C=C\CN[C@H]1CCSc2ccc(OC)cc21 ZINC000624198059 371387405 /nfs/dbraw/zinc/38/74/05/371387405.db2.gz DBYVUMNADSTJGN-SCOBNMCVSA-N 0 3 249.379 3.398 20 0 BGADHN C/C=C\CN[C@H](C)c1ccnn1-c1ccccc1 ZINC000624198094 371387638 /nfs/dbraw/zinc/38/76/38/371387638.db2.gz FCYRFZUGASITOO-DHCBQETCSA-N 0 3 241.338 3.099 20 0 BGADHN C/C=C/CN[C@H](C)c1ccnn1-c1ccccc1 ZINC000624198095 371387698 /nfs/dbraw/zinc/38/76/98/371387698.db2.gz FCYRFZUGASITOO-ITDFMYJTSA-N 0 3 241.338 3.099 20 0 BGADHN C/C=C/CN[C@@H](C)c1ccnn1-c1ccccc1 ZINC000624198096 371387792 /nfs/dbraw/zinc/38/77/92/371387792.db2.gz FCYRFZUGASITOO-OOPCZODUSA-N 0 3 241.338 3.099 20 0 BGADHN C/C=C\CN[C@@H](C)c1ccnn1-c1ccccc1 ZINC000624198097 371387584 /nfs/dbraw/zinc/38/75/84/371387584.db2.gz FCYRFZUGASITOO-SCOBNMCVSA-N 0 3 241.338 3.099 20 0 BGADHN C/C=C\CN[C@@H](CCC)c1cccnc1 ZINC000624198126 371387306 /nfs/dbraw/zinc/38/73/06/371387306.db2.gz GDYFETKGXSAYLH-DXTPNHAXSA-N 0 3 204.317 3.089 20 0 BGADHN C/C=C\CN[C@H](CCC)c1cccnc1 ZINC000624198127 371387350 /nfs/dbraw/zinc/38/73/50/371387350.db2.gz GDYFETKGXSAYLH-HSBHDXMMSA-N 0 3 204.317 3.089 20 0 BGADHN C/C=C/CN[C@@H](CCC)c1cccnc1 ZINC000624198128 371387524 /nfs/dbraw/zinc/38/75/24/371387524.db2.gz GDYFETKGXSAYLH-LQPUYASZSA-N 0 3 204.317 3.089 20 0 BGADHN C/C=C/CN[C@H](CCC)c1cccnc1 ZINC000624198129 371387394 /nfs/dbraw/zinc/38/73/94/371387394.db2.gz GDYFETKGXSAYLH-MASHWEEQSA-N 0 3 204.317 3.089 20 0 BGADHN C/C=C/CN[C@@H](c1cccnc1)C1CCC1 ZINC000624198305 342835183 /nfs/dbraw/zinc/83/51/83/342835183.db2.gz LFVWYNFUUHVDDD-BAABZTOOSA-N 0 3 216.328 3.089 20 0 BGADHN C/C=C/CN[C@H](c1cccnc1)C1CCC1 ZINC000624198306 342835269 /nfs/dbraw/zinc/83/52/69/342835269.db2.gz LFVWYNFUUHVDDD-HSWBROFVSA-N 0 3 216.328 3.089 20 0 BGADHN C/C=C\CN[C@@H](c1cccnc1)C1CCC1 ZINC000624198307 342834859 /nfs/dbraw/zinc/83/48/59/342834859.db2.gz LFVWYNFUUHVDDD-PYLYLYNFSA-N 0 3 216.328 3.089 20 0 BGADHN C/C=C\CN[C@H](c1cccnc1)C1CCC1 ZINC000624198308 342834688 /nfs/dbraw/zinc/83/46/88/342834688.db2.gz LFVWYNFUUHVDDD-SFAKSCPVSA-N 0 3 216.328 3.089 20 0 BGADHN C/C=C\CN[C@H]1CCCc2c(OC)cccc21 ZINC000624198602 371387730 /nfs/dbraw/zinc/38/77/30/371387730.db2.gz SOSKTFFBCROJOV-NQHOJNORSA-N 0 3 231.339 3.238 20 0 BGADHN C/C=C/CN[C@@H]1CCCc2c(OC)cccc21 ZINC000624198603 371387723 /nfs/dbraw/zinc/38/77/23/371387723.db2.gz SOSKTFFBCROJOV-RDFMZFSFSA-N 0 3 231.339 3.238 20 0 BGADHN C/C=C\CN[C@@H]1CCCc2c(OC)cccc21 ZINC000624198604 371387421 /nfs/dbraw/zinc/38/74/21/371387421.db2.gz SOSKTFFBCROJOV-VQTKUKTRSA-N 0 3 231.339 3.238 20 0 BGADHN C/C=C/CN[C@H]1CCCc2c(OC)cccc21 ZINC000624198605 371387687 /nfs/dbraw/zinc/38/76/87/371387687.db2.gz SOSKTFFBCROJOV-XGACYXMMSA-N 0 3 231.339 3.238 20 0 BGADHN C/C=C/CN[C@@H]1CCCc2ccc(F)cc21 ZINC000624198730 371387570 /nfs/dbraw/zinc/38/75/70/371387570.db2.gz WGZJQTDRKDBMFF-BAABZTOOSA-N 0 3 219.303 3.369 20 0 BGADHN C/C=C/CN[C@H]1CCCc2ccc(F)cc21 ZINC000624198731 371387333 /nfs/dbraw/zinc/38/73/33/371387333.db2.gz WGZJQTDRKDBMFF-HSWBROFVSA-N 0 3 219.303 3.369 20 0 BGADHN C/C=C\CN[C@@H]1CCCc2ccc(F)cc21 ZINC000624198732 371387604 /nfs/dbraw/zinc/38/76/04/371387604.db2.gz WGZJQTDRKDBMFF-PYLYLYNFSA-N 0 3 219.303 3.369 20 0 BGADHN C/C=C\CN[C@H]1CCCc2ccc(F)cc21 ZINC000624198733 371387497 /nfs/dbraw/zinc/38/74/97/371387497.db2.gz WGZJQTDRKDBMFF-SFAKSCPVSA-N 0 3 219.303 3.369 20 0 BGADHN C/C=C\CN[C@@H](c1ccc(F)cn1)C(C)C ZINC000624198781 371387655 /nfs/dbraw/zinc/38/76/55/371387655.db2.gz YEFWMCBIKCLHBE-DSYXLKISSA-N 0 3 222.307 3.084 20 0 BGADHN C/C=C/CN[C@H](c1ccc(F)cn1)C(C)C ZINC000624198782 371387854 /nfs/dbraw/zinc/38/78/54/371387854.db2.gz YEFWMCBIKCLHBE-IHVVCDCBSA-N 0 3 222.307 3.084 20 0 BGADHN C/C=C/CN[C@@H](c1ccc(F)cn1)C(C)C ZINC000624198783 371387768 /nfs/dbraw/zinc/38/77/68/371387768.db2.gz YEFWMCBIKCLHBE-MUBLQREKSA-N 0 3 222.307 3.084 20 0 BGADHN C/C=C\CN[C@H](c1ccc(F)cn1)C(C)C ZINC000624198784 371387259 /nfs/dbraw/zinc/38/72/59/371387259.db2.gz YEFWMCBIKCLHBE-ZFDPJTLLSA-N 0 3 222.307 3.084 20 0 BGADHN C/C=C/CN[C@@H]1CCCNc2ccccc21 ZINC000624198811 371388622 /nfs/dbraw/zinc/38/86/22/371388622.db2.gz YTSDKRTZFAAATH-BAABZTOOSA-N 0 3 216.328 3.099 20 0 BGADHN C/C=C/CN[C@H]1CCCNc2ccccc21 ZINC000624198812 371388903 /nfs/dbraw/zinc/38/89/03/371388903.db2.gz YTSDKRTZFAAATH-HSWBROFVSA-N 0 3 216.328 3.099 20 0 BGADHN C/C=C\CN[C@@H]1CCCNc2ccccc21 ZINC000624198813 371388786 /nfs/dbraw/zinc/38/87/86/371388786.db2.gz YTSDKRTZFAAATH-PYLYLYNFSA-N 0 3 216.328 3.099 20 0 BGADHN C/C=C\CN[C@H]1CCCNc2ccccc21 ZINC000624198814 371388953 /nfs/dbraw/zinc/38/89/53/371388953.db2.gz YTSDKRTZFAAATH-SFAKSCPVSA-N 0 3 216.328 3.099 20 0 BGADHN C/C=C/CN[C@H]1CCCOc2cc(F)ccc21 ZINC000624198847 371388814 /nfs/dbraw/zinc/38/88/14/371388814.db2.gz ZONNUOUMVAGSBS-IBUXWKBASA-N 0 3 235.302 3.205 20 0 BGADHN C/C=C\CN[C@@H]1CCCOc2cc(F)ccc21 ZINC000624198848 371388499 /nfs/dbraw/zinc/38/84/99/371388499.db2.gz ZONNUOUMVAGSBS-XQJDBVBESA-N 0 3 235.302 3.205 20 0 BGADHN C/C=C/CN[C@@H]1CCCOc2cc(F)ccc21 ZINC000624198849 371388664 /nfs/dbraw/zinc/38/86/64/371388664.db2.gz ZONNUOUMVAGSBS-YWVDXFKGSA-N 0 3 235.302 3.205 20 0 BGADHN C/C=C\CN[C@H]1CCCOc2cc(F)ccc21 ZINC000624198850 371388940 /nfs/dbraw/zinc/38/89/40/371388940.db2.gz ZONNUOUMVAGSBS-ZRMMWKCHSA-N 0 3 235.302 3.205 20 0 BGADHN C/C=C/CN[C@@H]1CCCc2cc(F)ccc21 ZINC000624198859 371388848 /nfs/dbraw/zinc/38/88/48/371388848.db2.gz ZZGGVOWZOLCQNQ-BAABZTOOSA-N 0 3 219.303 3.369 20 0 BGADHN C/C=C/CN[C@H]1CCCc2cc(F)ccc21 ZINC000624198860 371388987 /nfs/dbraw/zinc/38/89/87/371388987.db2.gz ZZGGVOWZOLCQNQ-HSWBROFVSA-N 0 3 219.303 3.369 20 0 BGADHN C/C=C\CN[C@@H]1CCCc2cc(F)ccc21 ZINC000624198861 342840301 /nfs/dbraw/zinc/84/03/01/342840301.db2.gz ZZGGVOWZOLCQNQ-PYLYLYNFSA-N 0 3 219.303 3.369 20 0 BGADHN C/C=C\CN[C@H]1CCCc2cc(F)ccc21 ZINC000624198862 342840411 /nfs/dbraw/zinc/84/04/11/342840411.db2.gz ZZGGVOWZOLCQNQ-SFAKSCPVSA-N 0 3 219.303 3.369 20 0 BGADHN C/C=C/CN[C@H](C)c1ccc(C(F)F)nc1 ZINC000624198939 371389162 /nfs/dbraw/zinc/38/91/62/371389162.db2.gz CGFUZAQVMOJMHQ-CDAZIORVSA-N 0 3 226.270 3.246 20 0 BGADHN C/C=C/CN[C@@H](C)c1ccc(C(F)F)nc1 ZINC000624198940 371388630 /nfs/dbraw/zinc/38/86/30/371388630.db2.gz CGFUZAQVMOJMHQ-NWALNABHSA-N 0 3 226.270 3.246 20 0 BGADHN C/C=C\CN[C@@H](C)c1ccc(C(F)F)nc1 ZINC000624198941 371389096 /nfs/dbraw/zinc/38/90/96/371389096.db2.gz CGFUZAQVMOJMHQ-TYRPZCRBSA-N 0 3 226.270 3.246 20 0 BGADHN C/C=C\CN[C@H](C)c1ccc(C(F)F)nc1 ZINC000624198942 371388505 /nfs/dbraw/zinc/38/85/05/371388505.db2.gz CGFUZAQVMOJMHQ-ZBJFTSOASA-N 0 3 226.270 3.246 20 0 BGADHN C[C@H](NC[C@]1(C)C[C@H]2C[C@H]2C1)c1ccco1 ZINC000624199031 342841292 /nfs/dbraw/zinc/84/12/92/342841292.db2.gz DWLGTQXPEDRUMI-FMSGJZPZSA-N 0 3 219.328 3.366 20 0 BGADHN C[C@@H](NC[C@]1(C)C[C@H]2C[C@H]2C1)c1ccco1 ZINC000624199032 342841380 /nfs/dbraw/zinc/84/13/80/342841380.db2.gz DWLGTQXPEDRUMI-NRWUCQMLSA-N 0 3 219.328 3.366 20 0 BGADHN C/C=C/CN[C@@H](C)c1cc2cnccc2o1 ZINC000624199069 371388657 /nfs/dbraw/zinc/38/86/57/371388657.db2.gz GILKDCLAUPGPBI-FSIBCCDJSA-N 0 3 216.284 3.055 20 0 BGADHN C/C=C/CN[C@H](C)c1cc2cnccc2o1 ZINC000624199070 371388764 /nfs/dbraw/zinc/38/87/64/371388764.db2.gz GILKDCLAUPGPBI-HMDXOVGESA-N 0 3 216.284 3.055 20 0 BGADHN C/C=C\CN[C@H](C)c1cc2cnccc2o1 ZINC000624199071 371388774 /nfs/dbraw/zinc/38/87/74/371388774.db2.gz GILKDCLAUPGPBI-UMBAGQNISA-N 0 3 216.284 3.055 20 0 BGADHN C/C=C\CN[C@@H](C)c1cc2cnccc2o1 ZINC000624199072 371389148 /nfs/dbraw/zinc/38/91/48/371389148.db2.gz GILKDCLAUPGPBI-XOULXFPDSA-N 0 3 216.284 3.055 20 0 BGADHN C/C=C/CN[C@H](CC(C)C)c1ccncc1 ZINC000624199134 371388994 /nfs/dbraw/zinc/38/89/94/371388994.db2.gz HOYHMLRFBJKMBB-ISZGNANSSA-N 0 3 218.344 3.335 20 0 BGADHN C/C=C/CN[C@@H](CC(C)C)c1ccncc1 ZINC000624199135 371388556 /nfs/dbraw/zinc/38/85/56/371388556.db2.gz HOYHMLRFBJKMBB-NNTXTVRGSA-N 0 3 218.344 3.335 20 0 BGADHN C/C=C\CN[C@@H](CC(C)C)c1ccncc1 ZINC000624199136 371388741 /nfs/dbraw/zinc/38/87/41/371388741.db2.gz HOYHMLRFBJKMBB-WSNITJDQSA-N 0 3 218.344 3.335 20 0 BGADHN C/C=C\CN[C@H](CC(C)C)c1ccncc1 ZINC000624199137 371388827 /nfs/dbraw/zinc/38/88/27/371388827.db2.gz HOYHMLRFBJKMBB-ZRUQZJFASA-N 0 3 218.344 3.335 20 0 BGADHN C/C=C/CN[C@H](C)c1nccc2ccccc21 ZINC000624199248 371389868 /nfs/dbraw/zinc/38/98/68/371389868.db2.gz KBRRZTSLLOHSLY-AAOUONPWSA-N 0 3 226.323 3.462 20 0 BGADHN C/C=C\CN[C@@H](C)c1nccc2ccccc21 ZINC000624199249 371389947 /nfs/dbraw/zinc/38/99/47/371389947.db2.gz KBRRZTSLLOHSLY-MVZIDQBPSA-N 0 3 226.323 3.462 20 0 BGADHN C/C=C/CN[C@@H](C)c1nccc2ccccc21 ZINC000624199250 371390046 /nfs/dbraw/zinc/39/00/46/371390046.db2.gz KBRRZTSLLOHSLY-PCAWENJQSA-N 0 3 226.323 3.462 20 0 BGADHN C/C=C\CN[C@H](C)c1nccc2ccccc21 ZINC000624199251 371390180 /nfs/dbraw/zinc/39/01/80/371390180.db2.gz KBRRZTSLLOHSLY-VSQXVHSFSA-N 0 3 226.323 3.462 20 0 BGADHN C/C=C\CN[C@@H](c1ccc(OC)cc1F)C1CC1 ZINC000624199284 371390151 /nfs/dbraw/zinc/39/01/51/371390151.db2.gz LBTRBTWOILDIGL-ABCZVMIZSA-N 0 3 249.329 3.451 20 0 BGADHN C/C=C/CN[C@H](c1ccc(OC)cc1F)C1CC1 ZINC000624199285 371390191 /nfs/dbraw/zinc/39/01/91/371390191.db2.gz LBTRBTWOILDIGL-BWPKMQGJSA-N 0 3 249.329 3.451 20 0 BGADHN C/C=C\CN[C@H](c1ccc(OC)cc1F)C1CC1 ZINC000624199286 371389711 /nfs/dbraw/zinc/38/97/11/371389711.db2.gz LBTRBTWOILDIGL-JZIMQPMSSA-N 0 3 249.329 3.451 20 0 BGADHN C/C=C/CN[C@@H](c1ccc(OC)cc1F)C1CC1 ZINC000624199287 371390099 /nfs/dbraw/zinc/39/00/99/371390099.db2.gz LBTRBTWOILDIGL-NHZBNJEXSA-N 0 3 249.329 3.451 20 0 BGADHN C/C=C/CN[C@H](C)c1ccc(OC)cc1C ZINC000624199644 342842914 /nfs/dbraw/zinc/84/29/14/342842914.db2.gz UWMFVIDLWAZKIB-BTDICHCPSA-N 0 3 219.328 3.230 20 0 BGADHN C/C=C\CN[C@@H](C)c1ccc(OC)cc1C ZINC000624199645 342842988 /nfs/dbraw/zinc/84/29/88/342842988.db2.gz UWMFVIDLWAZKIB-FJOGCWAESA-N 0 3 219.328 3.230 20 0 BGADHN C/C=C\CN[C@H](C)c1ccc(OC)cc1C ZINC000624199646 342842994 /nfs/dbraw/zinc/84/29/94/342842994.db2.gz UWMFVIDLWAZKIB-FOQNGQEVSA-N 0 3 219.328 3.230 20 0 BGADHN C/C=C/CN[C@@H](C)c1ccc(OC)cc1C ZINC000624199647 342843010 /nfs/dbraw/zinc/84/30/10/342843010.db2.gz UWMFVIDLWAZKIB-FYJFLYSWSA-N 0 3 219.328 3.230 20 0 BGADHN C/C=C/CN[C@H](C)c1cnn(C2CCCC2)c1 ZINC000624199704 371391091 /nfs/dbraw/zinc/39/10/91/371391091.db2.gz WFKKHAUVSWLXMP-AAOUONPWSA-N 0 3 233.359 3.225 20 0 BGADHN C/C=C\CN[C@@H](C)c1cnn(C2CCCC2)c1 ZINC000624199705 371390814 /nfs/dbraw/zinc/39/08/14/371390814.db2.gz WFKKHAUVSWLXMP-MVZIDQBPSA-N 0 3 233.359 3.225 20 0 BGADHN C/C=C/CN[C@@H](C)c1cnn(C2CCCC2)c1 ZINC000624199706 371391168 /nfs/dbraw/zinc/39/11/68/371391168.db2.gz WFKKHAUVSWLXMP-PCAWENJQSA-N 0 3 233.359 3.225 20 0 BGADHN C/C=C\CN[C@H](C)c1cnn(C2CCCC2)c1 ZINC000624199707 371390802 /nfs/dbraw/zinc/39/08/02/371390802.db2.gz WFKKHAUVSWLXMP-VSQXVHSFSA-N 0 3 233.359 3.225 20 0 BGADHN Cc1cc([C@H](C)NC[C@]2(C)C[C@H]3C[C@H]3C2)no1 ZINC000624200032 371390977 /nfs/dbraw/zinc/39/09/77/371390977.db2.gz CQUTZOGMBORCBM-FMSGJZPZSA-N 0 3 234.343 3.070 20 0 BGADHN Cc1cc([C@@H](C)NC[C@]2(C)C[C@H]3C[C@H]3C2)no1 ZINC000624200033 371390937 /nfs/dbraw/zinc/39/09/37/371390937.db2.gz CQUTZOGMBORCBM-NRWUCQMLSA-N 0 3 234.343 3.070 20 0 BGADHN C[C@@H](NC[C@]1(C)C[C@H]2C[C@H]2C1)c1nccs1 ZINC000624200134 371391964 /nfs/dbraw/zinc/39/19/64/371391964.db2.gz FLIDKTALTUZAMD-HNCHTBHHSA-N 0 3 236.384 3.230 20 0 BGADHN C[C@H](NC[C@]1(C)C[C@H]2C[C@H]2C1)c1nccs1 ZINC000624200135 371392026 /nfs/dbraw/zinc/39/20/26/371392026.db2.gz FLIDKTALTUZAMD-KQXIARHKSA-N 0 3 236.384 3.230 20 0 BGADHN C[C@@H](NC[C@]1(C)C[C@H]2C[C@H]2C1)c1cscn1 ZINC000624200424 371391906 /nfs/dbraw/zinc/39/19/06/371391906.db2.gz LFIHJZJDTFNOAB-HNCHTBHHSA-N 0 3 236.384 3.230 20 0 BGADHN C[C@H](NC[C@]1(C)C[C@H]2C[C@H]2C1)c1cscn1 ZINC000624200425 371392142 /nfs/dbraw/zinc/39/21/42/371392142.db2.gz LFIHJZJDTFNOAB-KQXIARHKSA-N 0 3 236.384 3.230 20 0 BGADHN C[C@@H](NC[C@]1(C)C[C@H]2C[C@H]2C1)c1ccc(F)cn1 ZINC000624200908 371392892 /nfs/dbraw/zinc/39/28/92/371392892.db2.gz VMFKIDUWOHATPI-MCYUEQNJSA-N 0 3 248.345 3.308 20 0 BGADHN C[C@H](NC[C@]1(C)C[C@H]2C[C@H]2C1)c1ccc(F)cn1 ZINC000624200909 371392827 /nfs/dbraw/zinc/39/28/27/371392827.db2.gz VMFKIDUWOHATPI-OHTBPHCPSA-N 0 3 248.345 3.308 20 0 BGADHN CC(C)[C@H](NCc1cn[nH]c1)c1ccc(F)cc1 ZINC000624212061 371397930 /nfs/dbraw/zinc/39/79/30/371397930.db2.gz PDCKJMBHBOZNQZ-AWEZNQCLSA-N 0 3 247.317 3.036 20 0 BGADHN CC(C)[C@@H](NCc1cn[nH]c1)c1ccc(F)cc1 ZINC000624212062 371398079 /nfs/dbraw/zinc/39/80/79/371398079.db2.gz PDCKJMBHBOZNQZ-CQSZACIVSA-N 0 3 247.317 3.036 20 0 BGADHN CC(C)(C)[C@@H](NCc1cn[nH]c1)c1ccccc1 ZINC000624213225 371399422 /nfs/dbraw/zinc/39/94/22/371399422.db2.gz RGJTTWXKZOVMBL-AWEZNQCLSA-N 0 3 243.354 3.287 20 0 BGADHN CC(C)(C)[C@H](NCc1cn[nH]c1)c1ccccc1 ZINC000624213226 371399937 /nfs/dbraw/zinc/39/99/37/371399937.db2.gz RGJTTWXKZOVMBL-CQSZACIVSA-N 0 3 243.354 3.287 20 0 BGADHN CC(C)C[C@@H](NCc1cn[nH]c1)c1cccs1 ZINC000624217070 371405112 /nfs/dbraw/zinc/40/51/12/371405112.db2.gz AHVLHAZEDOIUEC-GFCCVEGCSA-N 0 3 249.383 3.348 20 0 BGADHN CC(C)C[C@H](NCc1cn[nH]c1)c1cccs1 ZINC000624217071 371405336 /nfs/dbraw/zinc/40/53/36/371405336.db2.gz AHVLHAZEDOIUEC-LBPRGKRZSA-N 0 3 249.383 3.348 20 0 BGADHN CCc1ccc([C@H](C)N[C@@H]2CO[C@@H](C3CC3)C2)o1 ZINC000624222328 371410997 /nfs/dbraw/zinc/41/09/97/371410997.db2.gz VJZCYDVUZUVOMI-ITDIGPHOSA-N 0 3 249.354 3.060 20 0 BGADHN CCc1ccc([C@H](C)N[C@H]2CO[C@@H](C3CC3)C2)o1 ZINC000624222329 371411246 /nfs/dbraw/zinc/41/12/46/371411246.db2.gz VJZCYDVUZUVOMI-JVLSTEMRSA-N 0 3 249.354 3.060 20 0 BGADHN CCc1ccc([C@H](C)N[C@H]2CO[C@H](C3CC3)C2)o1 ZINC000624222330 371411332 /nfs/dbraw/zinc/41/13/32/371411332.db2.gz VJZCYDVUZUVOMI-NVBFEUDRSA-N 0 3 249.354 3.060 20 0 BGADHN CCc1ccc([C@H](C)N[C@@H]2CO[C@H](C3CC3)C2)o1 ZINC000624222331 371411422 /nfs/dbraw/zinc/41/14/22/371411422.db2.gz VJZCYDVUZUVOMI-WBIUFABUSA-N 0 3 249.354 3.060 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2CO[C@@H](C3CC3)C2)oc1C ZINC000624222867 371411408 /nfs/dbraw/zinc/41/14/08/371411408.db2.gz IAGMJCHXHFMXRS-PSOPSSQASA-N 0 3 249.354 3.115 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CO[C@@H](C3CC3)C2)oc1C ZINC000624222868 371411492 /nfs/dbraw/zinc/41/14/92/371411492.db2.gz IAGMJCHXHFMXRS-VZJVUDMVSA-N 0 3 249.354 3.115 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CO[C@H](C3CC3)C2)oc1C ZINC000624222869 371410843 /nfs/dbraw/zinc/41/08/43/371410843.db2.gz IAGMJCHXHFMXRS-XEGUGMAKSA-N 0 3 249.354 3.115 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2CO[C@H](C3CC3)C2)oc1C ZINC000624222870 371411102 /nfs/dbraw/zinc/41/11/02/371411102.db2.gz IAGMJCHXHFMXRS-ZBINZKHDSA-N 0 3 249.354 3.115 20 0 BGADHN CC[C@@H](NCc1ccc[nH]c1=O)c1cccs1 ZINC000624257373 371443827 /nfs/dbraw/zinc/44/38/27/371443827.db2.gz ANCMCGWCGOVGJN-LLVKDONJSA-N 0 3 248.351 3.090 20 0 BGADHN CC[C@H](NCc1ccc[nH]c1=O)c1cccs1 ZINC000624257374 371443631 /nfs/dbraw/zinc/44/36/31/371443631.db2.gz ANCMCGWCGOVGJN-NSHDSACASA-N 0 3 248.351 3.090 20 0 BGADHN Cc1ccc([C@H](C)NCc2ccc[nH]c2=O)s1 ZINC000624257635 371444072 /nfs/dbraw/zinc/44/40/72/371444072.db2.gz LAYIDHZCTVZOCO-JTQLQIEISA-N 0 3 248.351 3.008 20 0 BGADHN Cc1ccc([C@@H](C)NCc2ccc[nH]c2=O)s1 ZINC000624257636 371441052 /nfs/dbraw/zinc/44/10/52/371441052.db2.gz LAYIDHZCTVZOCO-SNVBAGLBSA-N 0 3 248.351 3.008 20 0 BGADHN Cc1ccsc1[C@H](C)NCc1ccc[nH]c1=O ZINC000624257793 371443623 /nfs/dbraw/zinc/44/36/23/371443623.db2.gz QNAJJBYGFRCHFX-JTQLQIEISA-N 0 3 248.351 3.008 20 0 BGADHN Cc1ccsc1[C@@H](C)NCc1ccc[nH]c1=O ZINC000624257794 371443687 /nfs/dbraw/zinc/44/36/87/371443687.db2.gz QNAJJBYGFRCHFX-SNVBAGLBSA-N 0 3 248.351 3.008 20 0 BGADHN CC[C@H](NCc1ccc[nH]c1=O)c1ccccc1 ZINC000624257915 371443557 /nfs/dbraw/zinc/44/35/57/371443557.db2.gz UXYZTQDJLULFKN-AWEZNQCLSA-N 0 3 242.322 3.028 20 0 BGADHN CC[C@@H](NCc1ccc[nH]c1=O)c1ccccc1 ZINC000624257916 371443445 /nfs/dbraw/zinc/44/34/45/371443445.db2.gz UXYZTQDJLULFKN-CQSZACIVSA-N 0 3 242.322 3.028 20 0 BGADHN CC[C@@H](NCc1ccc[nH]c1=O)c1ccsc1 ZINC000624259079 371446219 /nfs/dbraw/zinc/44/62/19/371446219.db2.gz BGIBXRZJRZOREX-GFCCVEGCSA-N 0 3 248.351 3.090 20 0 BGADHN CC[C@H](NCc1ccc[nH]c1=O)c1ccsc1 ZINC000624259080 371446260 /nfs/dbraw/zinc/44/62/60/371446260.db2.gz BGIBXRZJRZOREX-LBPRGKRZSA-N 0 3 248.351 3.090 20 0 BGADHN Cc1cc([C@H](C)NCc2ccc[nH]c2=O)cs1 ZINC000624259166 371446234 /nfs/dbraw/zinc/44/62/34/371446234.db2.gz DGIFAYXOPDQOBV-JTQLQIEISA-N 0 3 248.351 3.008 20 0 BGADHN Cc1cc([C@@H](C)NCc2ccc[nH]c2=O)cs1 ZINC000624259167 371446113 /nfs/dbraw/zinc/44/61/13/371446113.db2.gz DGIFAYXOPDQOBV-SNVBAGLBSA-N 0 3 248.351 3.008 20 0 BGADHN CO[C@H]1C[C@H](N[C@@H](C)c2cc3ccccc3o2)C1 ZINC000624296701 371461723 /nfs/dbraw/zinc/46/17/23/371461723.db2.gz DZZNDQDYUQZPDJ-DRZSPHRISA-N 0 3 245.322 3.261 20 0 BGADHN CO[C@H]1C[C@H](N[C@H](C)c2cc3ccccc3o2)C1 ZINC000624296702 371462426 /nfs/dbraw/zinc/46/24/26/371462426.db2.gz DZZNDQDYUQZPDJ-RAIGVLPGSA-N 0 3 245.322 3.261 20 0 BGADHN CO[C@H]1C[C@H](N[C@@H](C)c2ccc(Cl)s2)C1 ZINC000624296871 343673551 /nfs/dbraw/zinc/67/35/51/343673551.db2.gz ITILFJRBBJXAMQ-CIUDSAMLSA-N 0 3 245.775 3.230 20 0 BGADHN CO[C@H]1C[C@H](N[C@H](C)c2ccc(Cl)s2)C1 ZINC000624296875 343673514 /nfs/dbraw/zinc/67/35/14/343673514.db2.gz ITILFJRBBJXAMQ-IWSPIJDZSA-N 0 3 245.775 3.230 20 0 BGADHN CO[C@H]1C[C@H](N[C@@H](C)c2ccccc2Cl)C1 ZINC000624297171 343675513 /nfs/dbraw/zinc/67/55/13/343675513.db2.gz RNLCLAITVKGSOT-DCAQKATOSA-N 0 3 239.746 3.168 20 0 BGADHN CO[C@H]1C[C@H](N[C@H](C)c2ccccc2Cl)C1 ZINC000624297172 343675459 /nfs/dbraw/zinc/67/54/59/343675459.db2.gz RNLCLAITVKGSOT-GMTAPVOTSA-N 0 3 239.746 3.168 20 0 BGADHN CO[C@H]1C[C@H](N[C@H]2CC(C)(C)Cc3occc32)C1 ZINC000624298768 371464750 /nfs/dbraw/zinc/46/47/50/371464750.db2.gz ZFZFCBVTHKYWQE-GVXVVHGQSA-N 0 3 249.354 3.060 20 0 BGADHN CO[C@H]1C[C@H](N[C@@H]2CC(C)(C)Cc3occc32)C1 ZINC000624298769 371464872 /nfs/dbraw/zinc/46/48/72/371464872.db2.gz ZFZFCBVTHKYWQE-NQBHXWOUSA-N 0 3 249.354 3.060 20 0 BGADHN CC[C@@H](N[C@H]1C[C@H](OC)C1)c1ccccc1F ZINC000624299373 343677756 /nfs/dbraw/zinc/67/77/56/343677756.db2.gz JUHMDGSKMBXGML-JTNHKYCSSA-N 0 3 237.318 3.044 20 0 BGADHN CC[C@H](N[C@H]1C[C@H](OC)C1)c1ccccc1F ZINC000624299374 343677703 /nfs/dbraw/zinc/67/77/03/343677703.db2.gz JUHMDGSKMBXGML-MJVIPROJSA-N 0 3 237.318 3.044 20 0 BGADHN CO[C@H]1C[C@H](N[C@@H](C)c2csc(Cl)c2)C1 ZINC000624299475 371465592 /nfs/dbraw/zinc/46/55/92/371465592.db2.gz MTBUAJVICNKAQG-HGNGGELXSA-N 0 3 245.775 3.230 20 0 BGADHN CO[C@H]1C[C@H](N[C@H](C)c2csc(Cl)c2)C1 ZINC000624299476 371466020 /nfs/dbraw/zinc/46/60/20/371466020.db2.gz MTBUAJVICNKAQG-SZEHBUNVSA-N 0 3 245.775 3.230 20 0 BGADHN CO[C@H]1C[C@H](N[C@@H](c2ccc(C)o2)C2CCC2)C1 ZINC000624299882 371467245 /nfs/dbraw/zinc/46/72/45/371467245.db2.gz XATCGJBMASJTBX-UMVBOHGHSA-N 0 3 249.354 3.196 20 0 BGADHN CO[C@H]1C[C@H](N[C@H](c2ccc(C)o2)C2CCC2)C1 ZINC000624299883 343677335 /nfs/dbraw/zinc/67/73/35/343677335.db2.gz XATCGJBMASJTBX-YDHLFZDLSA-N 0 3 249.354 3.196 20 0 BGADHN Cc1nccnc1[C@@H](C)NC[C@H]1CCCC12CC2 ZINC000624314132 371477531 /nfs/dbraw/zinc/47/75/31/371477531.db2.gz CUIYAQZYFFKOSR-CHWSQXEVSA-N 0 3 245.370 3.016 20 0 BGADHN Cc1nccnc1[C@@H](C)NC[C@@H]1CCCC12CC2 ZINC000624314133 371477472 /nfs/dbraw/zinc/47/74/72/371477472.db2.gz CUIYAQZYFFKOSR-OLZOCXBDSA-N 0 3 245.370 3.016 20 0 BGADHN Cc1nccnc1[C@H](C)NC[C@H]1CCCC12CC2 ZINC000624314134 371477617 /nfs/dbraw/zinc/47/76/17/371477617.db2.gz CUIYAQZYFFKOSR-QWHCGFSZSA-N 0 3 245.370 3.016 20 0 BGADHN Cc1nccnc1[C@H](C)NC[C@@H]1CCCC12CC2 ZINC000624314135 371477574 /nfs/dbraw/zinc/47/75/74/371477574.db2.gz CUIYAQZYFFKOSR-STQMWFEESA-N 0 3 245.370 3.016 20 0 BGADHN CC[C@@H](NC[C@H]1CCCC12CC2)c1ccn(C)n1 ZINC000624314254 371477737 /nfs/dbraw/zinc/47/77/37/371477737.db2.gz FSKKBWXPTNGIOI-CHWSQXEVSA-N 0 3 247.386 3.041 20 0 BGADHN CC[C@H](NC[C@H]1CCCC12CC2)c1ccn(C)n1 ZINC000624314255 371477456 /nfs/dbraw/zinc/47/74/56/371477456.db2.gz FSKKBWXPTNGIOI-OLZOCXBDSA-N 0 3 247.386 3.041 20 0 BGADHN CC[C@@H](NC[C@@H]1CCCC12CC2)c1ccn(C)n1 ZINC000624314256 371477668 /nfs/dbraw/zinc/47/76/68/371477668.db2.gz FSKKBWXPTNGIOI-QWHCGFSZSA-N 0 3 247.386 3.041 20 0 BGADHN CC[C@H](NC[C@@H]1CCCC12CC2)c1ccn(C)n1 ZINC000624314257 371477425 /nfs/dbraw/zinc/47/74/25/371477425.db2.gz FSKKBWXPTNGIOI-STQMWFEESA-N 0 3 247.386 3.041 20 0 BGADHN C[C@@H](NC[C@H]1CCCC12CC2)c1nccs1 ZINC000624314321 371474539 /nfs/dbraw/zinc/47/45/39/371474539.db2.gz GWNNEBDJXATQSN-GHMZBOCLSA-N 0 3 236.384 3.374 20 0 BGADHN C[C@@H](NC[C@@H]1CCCC12CC2)c1nccs1 ZINC000624314322 371474266 /nfs/dbraw/zinc/47/42/66/371474266.db2.gz GWNNEBDJXATQSN-MNOVXSKESA-N 0 3 236.384 3.374 20 0 BGADHN C[C@H](NC[C@@H]1CCCC12CC2)c1nccs1 ZINC000624314323 371474473 /nfs/dbraw/zinc/47/44/73/371474473.db2.gz GWNNEBDJXATQSN-QWRGUYRKSA-N 0 3 236.384 3.374 20 0 BGADHN C[C@H](NC[C@H]1CCCC12CC2)c1nccs1 ZINC000624314324 371474277 /nfs/dbraw/zinc/47/42/77/371474277.db2.gz GWNNEBDJXATQSN-WDEREUQCSA-N 0 3 236.384 3.374 20 0 BGADHN Cc1cc([C@@H](C)NC[C@@H]2CCCC23CC3)no1 ZINC000624314570 371478558 /nfs/dbraw/zinc/47/85/58/371478558.db2.gz LCLLZTFFTOORCJ-NEPJUHHUSA-N 0 3 234.343 3.214 20 0 BGADHN Cc1cc([C@H](C)NC[C@H]2CCCC23CC3)no1 ZINC000624314571 371478770 /nfs/dbraw/zinc/47/87/70/371478770.db2.gz LCLLZTFFTOORCJ-NWDGAFQWSA-N 0 3 234.343 3.214 20 0 BGADHN Cc1cc([C@H](C)NC[C@@H]2CCCC23CC3)no1 ZINC000624314572 371478685 /nfs/dbraw/zinc/47/86/85/371478685.db2.gz LCLLZTFFTOORCJ-RYUDHWBXSA-N 0 3 234.343 3.214 20 0 BGADHN Cc1cc([C@@H](C)NC[C@H]2CCCC23CC3)no1 ZINC000624314573 371478874 /nfs/dbraw/zinc/47/88/74/371478874.db2.gz LCLLZTFFTOORCJ-VXGBXAGGSA-N 0 3 234.343 3.214 20 0 BGADHN C[C@@H](NC[C@H]1CCCC12CC2)c1cscn1 ZINC000624314655 371478907 /nfs/dbraw/zinc/47/89/07/371478907.db2.gz NDBUOGYEAGKJCN-GHMZBOCLSA-N 0 3 236.384 3.374 20 0 BGADHN C[C@@H](NC[C@@H]1CCCC12CC2)c1cscn1 ZINC000624314656 371478740 /nfs/dbraw/zinc/47/87/40/371478740.db2.gz NDBUOGYEAGKJCN-MNOVXSKESA-N 0 3 236.384 3.374 20 0 BGADHN C[C@H](NC[C@@H]1CCCC12CC2)c1cscn1 ZINC000624314657 371474347 /nfs/dbraw/zinc/47/43/47/371474347.db2.gz NDBUOGYEAGKJCN-QWRGUYRKSA-N 0 3 236.384 3.374 20 0 BGADHN C[C@H](NC[C@H]1CCCC12CC2)c1cscn1 ZINC000624314658 371474251 /nfs/dbraw/zinc/47/42/51/371474251.db2.gz NDBUOGYEAGKJCN-WDEREUQCSA-N 0 3 236.384 3.374 20 0 BGADHN CC[C@@H](NC[C@H]1CCCC12CC2)c1nccn1C ZINC000624314764 371478854 /nfs/dbraw/zinc/47/88/54/371478854.db2.gz OWYLYRUIKFOKIV-CHWSQXEVSA-N 0 3 247.386 3.041 20 0 BGADHN CC[C@H](NC[C@H]1CCCC12CC2)c1nccn1C ZINC000624314765 371478711 /nfs/dbraw/zinc/47/87/11/371478711.db2.gz OWYLYRUIKFOKIV-OLZOCXBDSA-N 0 3 247.386 3.041 20 0 BGADHN CC[C@@H](NC[C@@H]1CCCC12CC2)c1nccn1C ZINC000624314766 371478591 /nfs/dbraw/zinc/47/85/91/371478591.db2.gz OWYLYRUIKFOKIV-QWHCGFSZSA-N 0 3 247.386 3.041 20 0 BGADHN CC[C@H](NC[C@@H]1CCCC12CC2)c1nccn1C ZINC000624314767 371478942 /nfs/dbraw/zinc/47/89/42/371478942.db2.gz OWYLYRUIKFOKIV-STQMWFEESA-N 0 3 247.386 3.041 20 0 BGADHN CCn1ccnc1[C@@H](C)NC[C@H]1CCCC12CC2 ZINC000624316067 371480075 /nfs/dbraw/zinc/48/00/75/371480075.db2.gz IXBBINKNRSBHFD-CHWSQXEVSA-N 0 3 247.386 3.134 20 0 BGADHN CCn1ccnc1[C@@H](C)NC[C@@H]1CCCC12CC2 ZINC000624316068 371479913 /nfs/dbraw/zinc/47/99/13/371479913.db2.gz IXBBINKNRSBHFD-OLZOCXBDSA-N 0 3 247.386 3.134 20 0 BGADHN CCn1ccnc1[C@H](C)NC[C@H]1CCCC12CC2 ZINC000624316069 371479994 /nfs/dbraw/zinc/47/99/94/371479994.db2.gz IXBBINKNRSBHFD-QWHCGFSZSA-N 0 3 247.386 3.134 20 0 BGADHN CCn1ccnc1[C@H](C)NC[C@@H]1CCCC12CC2 ZINC000624316070 371480006 /nfs/dbraw/zinc/48/00/06/371480006.db2.gz IXBBINKNRSBHFD-STQMWFEESA-N 0 3 247.386 3.134 20 0 BGADHN C[C@@H]1C[C@H](NC[C@@H]2CCCC23CC3)c2nccn21 ZINC000624317295 371479821 /nfs/dbraw/zinc/47/98/21/371479821.db2.gz ZOCWVMMDUZDFRC-AGIUHOORSA-N 0 3 245.370 3.059 20 0 BGADHN C[C@@H]1C[C@@H](NC[C@@H]2CCCC23CC3)c2nccn21 ZINC000624317296 371479611 /nfs/dbraw/zinc/47/96/11/371479611.db2.gz ZOCWVMMDUZDFRC-FRRDWIJNSA-N 0 3 245.370 3.059 20 0 BGADHN C[C@@H]1C[C@@H](NC[C@H]2CCCC23CC3)c2nccn21 ZINC000624317297 371479677 /nfs/dbraw/zinc/47/96/77/371479677.db2.gz ZOCWVMMDUZDFRC-JHJVBQTASA-N 0 3 245.370 3.059 20 0 BGADHN C[C@@H]1C[C@H](NC[C@H]2CCCC23CC3)c2nccn21 ZINC000624317298 371479985 /nfs/dbraw/zinc/47/99/85/371479985.db2.gz ZOCWVMMDUZDFRC-UPJWGTAASA-N 0 3 245.370 3.059 20 0 BGADHN CC(C)NC1(c2c(F)cccc2F)CCC1 ZINC000624344771 371489417 /nfs/dbraw/zinc/48/94/17/371489417.db2.gz RFXFBZMPUJEGBQ-UHFFFAOYSA-N 0 3 225.282 3.342 20 0 BGADHN CC(C)C(C)(C)NCc1nc2ccccc2o1 ZINC000624514089 371524426 /nfs/dbraw/zinc/52/44/26/371524426.db2.gz YWJHEARCGSHETL-UHFFFAOYSA-N 0 3 232.327 3.352 20 0 BGADHN CCc1cc(N2CCCC(F)(F)CC2)ccn1 ZINC000624521735 371528308 /nfs/dbraw/zinc/52/83/08/371528308.db2.gz WOOFWBLXZYXDFK-UHFFFAOYSA-N 0 3 240.297 3.270 20 0 BGADHN CCc1cc(N2CC[C@H]3CC[C@@H](C2)S3)ccn1 ZINC000624524380 371529752 /nfs/dbraw/zinc/52/97/52/371529752.db2.gz JMUWGDRIGQTCAG-KGLIPLIRSA-N 0 3 248.395 3.118 20 0 BGADHN CCc1cc(N2CCCC3(CC3)CC2)ccn1 ZINC000624722460 342821927 /nfs/dbraw/zinc/82/19/27/342821927.db2.gz JMIGHBQYSXZAMN-UHFFFAOYSA-N 0 3 230.355 3.415 20 0 BGADHN CCC[C@@H](C)CCCN(C)Cc1cnn(C)c1 ZINC000625045594 342844865 /nfs/dbraw/zinc/84/48/65/342844865.db2.gz OLCVOOHIJGYOEV-CYBMUJFWSA-N 0 3 237.391 3.068 20 0 BGADHN CCC[C@H](C)CCCN(C)Cc1cnn(C)c1 ZINC000625045601 342844783 /nfs/dbraw/zinc/84/47/83/342844783.db2.gz OLCVOOHIJGYOEV-ZDUSSCGKSA-N 0 3 237.391 3.068 20 0 BGADHN CN(Cc1cc(O)ccc1Cl)C1CCCC1 ZINC000625058832 342846221 /nfs/dbraw/zinc/84/62/21/342846221.db2.gz AGEVSSZVEIZAQH-UHFFFAOYSA-N 0 3 239.746 3.420 20 0 BGADHN CCO[C@@H](CN(C)Cc1ccc(C)cc1)C1CC1 ZINC000625059182 342846326 /nfs/dbraw/zinc/84/63/26/342846326.db2.gz DIERLLRPBUYFMB-INIZCTEOSA-N 0 3 247.382 3.242 20 0 BGADHN CCO[C@H](CN(C)Cc1ccc(C)cc1)C1CC1 ZINC000625059184 342846289 /nfs/dbraw/zinc/84/62/89/342846289.db2.gz DIERLLRPBUYFMB-MRXNPFEDSA-N 0 3 247.382 3.242 20 0 BGADHN CCC[C@H](C)CCCN1CCN(C(C)C)CC1 ZINC000625060122 342846404 /nfs/dbraw/zinc/84/64/04/342846404.db2.gz DWFZIFCSWDJCCT-HNNXBMFYSA-N 0 3 240.435 3.229 20 0 BGADHN CCC[C@@H](C)CCCN1CCN(C(C)C)CC1 ZINC000625060143 342846301 /nfs/dbraw/zinc/84/63/01/342846301.db2.gz DWFZIFCSWDJCCT-OAHLLOKOSA-N 0 3 240.435 3.229 20 0 BGADHN C[C@H](C1CC1)N(C)Cc1cc(O)ccc1Cl ZINC000625060642 342847379 /nfs/dbraw/zinc/84/73/79/342847379.db2.gz IMHMPBACFSLJDG-SECBINFHSA-N 0 3 239.746 3.276 20 0 BGADHN C[C@@H](C1CC1)N(C)Cc1cc(O)ccc1Cl ZINC000625060643 342847171 /nfs/dbraw/zinc/84/71/71/342847171.db2.gz IMHMPBACFSLJDG-VIFPVBQESA-N 0 3 239.746 3.276 20 0 BGADHN CCO[C@@H](CN(C)Cc1cccc(C)c1)C1CC1 ZINC000625096088 342852560 /nfs/dbraw/zinc/85/25/60/342852560.db2.gz KVWALPNOXVVHSI-INIZCTEOSA-N 0 3 247.382 3.242 20 0 BGADHN CCO[C@H](CN(C)Cc1cccc(C)c1)C1CC1 ZINC000625096089 342852423 /nfs/dbraw/zinc/85/24/23/342852423.db2.gz KVWALPNOXVVHSI-MRXNPFEDSA-N 0 3 247.382 3.242 20 0 BGADHN CCCN(CC)Cc1cccnc1C(F)(F)F ZINC000625110005 342861803 /nfs/dbraw/zinc/86/18/03/342861803.db2.gz XVLVZRMJJRLSOW-UHFFFAOYSA-N 0 3 246.276 3.332 20 0 BGADHN CCO[C@H](CN(C)[C@H](C)c1ccco1)C1CC1 ZINC000625111768 342865174 /nfs/dbraw/zinc/86/51/74/342865174.db2.gz QZQLBBRIGRQMHY-BXUZGUMPSA-N 0 3 237.343 3.088 20 0 BGADHN CCO[C@@H](CN(C)[C@@H](C)c1ccco1)C1CC1 ZINC000625111769 342865182 /nfs/dbraw/zinc/86/51/82/342865182.db2.gz QZQLBBRIGRQMHY-FZMZJTMJSA-N 0 3 237.343 3.088 20 0 BGADHN CCO[C@@H](CN(C)[C@H](C)c1ccco1)C1CC1 ZINC000625111770 342865232 /nfs/dbraw/zinc/86/52/32/342865232.db2.gz QZQLBBRIGRQMHY-RISCZKNCSA-N 0 3 237.343 3.088 20 0 BGADHN CCO[C@H](CN(C)[C@@H](C)c1ccco1)C1CC1 ZINC000625111771 342865178 /nfs/dbraw/zinc/86/51/78/342865178.db2.gz QZQLBBRIGRQMHY-SMDDNHRTSA-N 0 3 237.343 3.088 20 0 BGADHN Clc1cccnc1CN1CCC[C@@H]1C1CC1 ZINC000625134253 342886854 /nfs/dbraw/zinc/88/68/54/342886854.db2.gz CBPMJPWCPSFREG-CYBMUJFWSA-N 0 3 236.746 3.109 20 0 BGADHN Clc1cccnc1CN1CCC[C@H]1C1CC1 ZINC000625134256 342885470 /nfs/dbraw/zinc/88/54/70/342885470.db2.gz CBPMJPWCPSFREG-ZDUSSCGKSA-N 0 3 236.746 3.109 20 0 BGADHN CC1(C)CCCN1Cc1cc(O)ccc1Cl ZINC000625138411 342888392 /nfs/dbraw/zinc/88/83/92/342888392.db2.gz JUTNOTYPIDNZDV-UHFFFAOYSA-N 0 3 239.746 3.420 20 0 BGADHN CCN(Cc1cc(O)ccc1Cl)CC1CC1 ZINC000625162203 342898094 /nfs/dbraw/zinc/89/80/94/342898094.db2.gz VMMODGQHYBHYKA-UHFFFAOYSA-N 0 3 239.746 3.278 20 0 BGADHN C[C@@H]1C[C@@H](C)N(Cc2cc(O)ccc2Cl)C1 ZINC000625186204 342904138 /nfs/dbraw/zinc/90/41/38/342904138.db2.gz YRONDXRWSFDPCT-NXEZZACHSA-N 0 3 239.746 3.276 20 0 BGADHN C[C@H]1C[C@H](C)N(Cc2cc(O)ccc2Cl)C1 ZINC000625186205 342904149 /nfs/dbraw/zinc/90/41/49/342904149.db2.gz YRONDXRWSFDPCT-UWVGGRQHSA-N 0 3 239.746 3.276 20 0 BGADHN C[C@@H]1C[C@H](C)CN1Cc1cc(O)ccc1Cl ZINC000625186206 342903892 /nfs/dbraw/zinc/90/38/92/342903892.db2.gz YRONDXRWSFDPCT-VHSXEESVSA-N 0 3 239.746 3.276 20 0 BGADHN C[C@@H]1C[C@H](C)N(Cc2cc(O)ccc2Cl)C1 ZINC000625186207 342903980 /nfs/dbraw/zinc/90/39/80/342903980.db2.gz YRONDXRWSFDPCT-ZJUUUORDSA-N 0 3 239.746 3.276 20 0 BGADHN C[C@H]1CN(Cc2cc(O)ccc2Cl)C[C@H]1C ZINC000625197862 342908516 /nfs/dbraw/zinc/90/85/16/342908516.db2.gz NGXJGYIOXZHXOC-AOOOYVTPSA-N 0 3 239.746 3.133 20 0 BGADHN C[C@@H]1CN(Cc2cc(O)ccc2Cl)C[C@H]1C ZINC000625197864 342908528 /nfs/dbraw/zinc/90/85/28/342908528.db2.gz NGXJGYIOXZHXOC-NXEZZACHSA-N 0 3 239.746 3.133 20 0 BGADHN C[C@H]1CN(Cc2cc(O)ccc2Cl)C[C@@H]1C ZINC000625197865 342908632 /nfs/dbraw/zinc/90/86/32/342908632.db2.gz NGXJGYIOXZHXOC-UWVGGRQHSA-N 0 3 239.746 3.133 20 0 BGADHN CCO[C@H](CN1Cc2ccccc2[C@@H]1C)C1CC1 ZINC000625204521 342910279 /nfs/dbraw/zinc/91/02/79/342910279.db2.gz KWQNDEFFZYEQJC-BLLLJJGKSA-N 0 3 245.366 3.378 20 0 BGADHN CCO[C@@H](CN1Cc2ccccc2[C@@H]1C)C1CC1 ZINC000625204522 342910555 /nfs/dbraw/zinc/91/05/55/342910555.db2.gz KWQNDEFFZYEQJC-LRDDRELGSA-N 0 3 245.366 3.378 20 0 BGADHN CCO[C@H](CN1Cc2ccccc2[C@H]1C)C1CC1 ZINC000625204523 342910481 /nfs/dbraw/zinc/91/04/81/342910481.db2.gz KWQNDEFFZYEQJC-MLGOLLRUSA-N 0 3 245.366 3.378 20 0 BGADHN CCO[C@@H](CN1Cc2ccccc2[C@H]1C)C1CC1 ZINC000625204524 342910835 /nfs/dbraw/zinc/91/08/35/342910835.db2.gz KWQNDEFFZYEQJC-WBMJQRKESA-N 0 3 245.366 3.378 20 0 BGADHN CCO[C@@H](CN1CC[C@@H]1c1ccccc1)C1CC1 ZINC000625212130 342914817 /nfs/dbraw/zinc/91/48/17/342914817.db2.gz KNQDXCRHRGYSCN-CVEARBPZSA-N 0 3 245.366 3.249 20 0 BGADHN CCO[C@@H](CN1CC[C@H]1c1ccccc1)C1CC1 ZINC000625212131 342914891 /nfs/dbraw/zinc/91/48/91/342914891.db2.gz KNQDXCRHRGYSCN-HOTGVXAUSA-N 0 3 245.366 3.249 20 0 BGADHN CCO[C@H](CN1CC[C@@H]1c1ccccc1)C1CC1 ZINC000625212133 342914792 /nfs/dbraw/zinc/91/47/92/342914792.db2.gz KNQDXCRHRGYSCN-HZPDHXFCSA-N 0 3 245.366 3.249 20 0 BGADHN CCO[C@H](CN1CC[C@H]1c1ccccc1)C1CC1 ZINC000625212134 342914672 /nfs/dbraw/zinc/91/46/72/342914672.db2.gz KNQDXCRHRGYSCN-JKSUJKDBSA-N 0 3 245.366 3.249 20 0 BGADHN C[C@@H]1CCN(Cc2cc(O)ccc2Cl)[C@@H]1C ZINC000625214665 342915162 /nfs/dbraw/zinc/91/51/62/342915162.db2.gz VTSBNAFXIQFPOB-NXEZZACHSA-N 0 3 239.746 3.276 20 0 BGADHN C[C@H]1CCN(Cc2cc(O)ccc2Cl)[C@H]1C ZINC000625214667 342915167 /nfs/dbraw/zinc/91/51/67/342915167.db2.gz VTSBNAFXIQFPOB-UWVGGRQHSA-N 0 3 239.746 3.276 20 0 BGADHN C[C@@H]1[C@@H](C)CCN1Cc1cc(O)ccc1Cl ZINC000625214671 342915089 /nfs/dbraw/zinc/91/50/89/342915089.db2.gz VTSBNAFXIQFPOB-VHSXEESVSA-N 0 3 239.746 3.276 20 0 BGADHN C[C@@H]1CCN(Cc2cc(O)ccc2Cl)[C@H]1C ZINC000625214672 342915191 /nfs/dbraw/zinc/91/51/91/342915191.db2.gz VTSBNAFXIQFPOB-ZJUUUORDSA-N 0 3 239.746 3.276 20 0 BGADHN C[C@@H]1CC[C@H](C)N1Cc1cc(O)ccc1Cl ZINC000625225994 342922427 /nfs/dbraw/zinc/92/24/27/342922427.db2.gz WZAWOAOADVNGMV-AOOOYVTPSA-N 0 3 239.746 3.418 20 0 BGADHN C[C@@H]1CC[C@@H](C)N1Cc1cc(O)ccc1Cl ZINC000625225996 342922282 /nfs/dbraw/zinc/92/22/82/342922282.db2.gz WZAWOAOADVNGMV-NXEZZACHSA-N 0 3 239.746 3.418 20 0 BGADHN C[C@H]1CC[C@H](C)N1Cc1cc(O)ccc1Cl ZINC000625225997 342922465 /nfs/dbraw/zinc/92/24/65/342922465.db2.gz WZAWOAOADVNGMV-UWVGGRQHSA-N 0 3 239.746 3.418 20 0 BGADHN CC1(C)CC(CN2CCc3ccc(O)cc3C2)C1 ZINC000625253667 343066085 /nfs/dbraw/zinc/06/60/85/343066085.db2.gz LZTYPVDHOVLVOX-UHFFFAOYSA-N 0 3 245.366 3.187 20 0 BGADHN CCC[C@@H](C)CCCN(C)Cc1cn[nH]c1 ZINC000625258341 343124821 /nfs/dbraw/zinc/12/48/21/343124821.db2.gz FLWVVVQCYCFNPD-GFCCVEGCSA-N 0 3 223.364 3.058 20 0 BGADHN CCC[C@H](C)CCCN(C)Cc1cn[nH]c1 ZINC000625258342 343124926 /nfs/dbraw/zinc/12/49/26/343124926.db2.gz FLWVVVQCYCFNPD-LBPRGKRZSA-N 0 3 223.364 3.058 20 0 BGADHN CCC[C@@H](C)CCCN1CCN(CC)[C@@H](C)C1 ZINC000625270030 343168401 /nfs/dbraw/zinc/16/84/01/343168401.db2.gz PURUDWKSXWCECZ-CABCVRRESA-N 0 3 240.435 3.229 20 0 BGADHN CCC[C@H](C)CCCN1CCN(CC)[C@@H](C)C1 ZINC000625270031 343168418 /nfs/dbraw/zinc/16/84/18/343168418.db2.gz PURUDWKSXWCECZ-GJZGRUSLSA-N 0 3 240.435 3.229 20 0 BGADHN CCC[C@@H](C)CCCN1CCN(CC)[C@H](C)C1 ZINC000625270034 343168423 /nfs/dbraw/zinc/16/84/23/343168423.db2.gz PURUDWKSXWCECZ-HUUCEWRRSA-N 0 3 240.435 3.229 20 0 BGADHN CCC[C@H](C)CCCN1CCN(CC)[C@H](C)C1 ZINC000625270035 343168413 /nfs/dbraw/zinc/16/84/13/343168413.db2.gz PURUDWKSXWCECZ-LSDHHAIUSA-N 0 3 240.435 3.229 20 0 BGADHN CC1(C)CC(CN2CC3(C2)CC(F)(F)C3)C1 ZINC000625276715 343215755 /nfs/dbraw/zinc/21/57/55/343215755.db2.gz WGOIEISTAFHLKT-UHFFFAOYSA-N 0 3 229.314 3.154 20 0 BGADHN Cc1ccc(CN2CC[C@@H](C(F)F)C2)cc1F ZINC000625277198 343217002 /nfs/dbraw/zinc/21/70/02/343217002.db2.gz XSRHOBOHYKQYIM-LLVKDONJSA-N 0 3 243.272 3.221 20 0 BGADHN Cc1ccc(CN2CC[C@H](C(F)F)C2)cc1F ZINC000625277212 343216984 /nfs/dbraw/zinc/21/69/84/343216984.db2.gz XSRHOBOHYKQYIM-NSHDSACASA-N 0 3 243.272 3.221 20 0 BGADHN CCO[C@@H](CNC1(c2ccccc2)CC1)C1CC1 ZINC000625293071 343223482 /nfs/dbraw/zinc/22/34/82/343223482.db2.gz WHCKRZZVRWCFAD-HNNXBMFYSA-N 0 3 245.366 3.080 20 0 BGADHN CCO[C@H](CNC1(c2ccccc2)CC1)C1CC1 ZINC000625293073 343223532 /nfs/dbraw/zinc/22/35/32/343223532.db2.gz WHCKRZZVRWCFAD-OAHLLOKOSA-N 0 3 245.366 3.080 20 0 BGADHN Cc1noc(C)c1[C@@H](C)NCC1CC(C)(C)C1 ZINC000625303430 343229113 /nfs/dbraw/zinc/22/91/13/343229113.db2.gz QAIRPLKBQKYTSS-SECBINFHSA-N 0 3 236.359 3.378 20 0 BGADHN Cc1noc(C)c1[C@H](C)NCC1CC(C)(C)C1 ZINC000625303433 343229289 /nfs/dbraw/zinc/22/92/89/343229289.db2.gz QAIRPLKBQKYTSS-VIFPVBQESA-N 0 3 236.359 3.378 20 0 BGADHN Oc1ccc(Cl)c(CNC2(C3CC3)CC2)c1 ZINC000625320839 343234201 /nfs/dbraw/zinc/23/42/01/343234201.db2.gz VPNKCIBIWFINPV-UHFFFAOYSA-N 0 3 237.730 3.078 20 0 BGADHN C[C@@H]1CCC[C@H]1NCc1cc(O)ccc1Cl ZINC000625370047 343360459 /nfs/dbraw/zinc/36/04/59/343360459.db2.gz XZCQGYKPPFPNSY-NOZJJQNGSA-N 0 3 239.746 3.324 20 0 BGADHN C[C@@H]1CCC[C@@H]1NCc1cc(O)ccc1Cl ZINC000625370048 343360386 /nfs/dbraw/zinc/36/03/86/343360386.db2.gz XZCQGYKPPFPNSY-RNCFNFMXSA-N 0 3 239.746 3.324 20 0 BGADHN C[C@H]1CCC[C@H]1NCc1cc(O)ccc1Cl ZINC000625370049 343360528 /nfs/dbraw/zinc/36/05/28/343360528.db2.gz XZCQGYKPPFPNSY-TVQRCGJNSA-N 0 3 239.746 3.324 20 0 BGADHN C[C@H]1CCC[C@@H]1NCc1cc(O)ccc1Cl ZINC000625370050 343360545 /nfs/dbraw/zinc/36/05/45/343360545.db2.gz XZCQGYKPPFPNSY-ZANVPECISA-N 0 3 239.746 3.324 20 0 BGADHN CCO[C@@H](CN[C@@H](C)c1ccsc1)C1CC1 ZINC000625401691 343414268 /nfs/dbraw/zinc/41/42/68/343414268.db2.gz YVJVACBXECCBHK-GWCFXTLKSA-N 0 3 239.384 3.214 20 0 BGADHN CCO[C@H](CN[C@@H](C)c1ccsc1)C1CC1 ZINC000625401692 343414186 /nfs/dbraw/zinc/41/41/86/343414186.db2.gz YVJVACBXECCBHK-GXFFZTMASA-N 0 3 239.384 3.214 20 0 BGADHN CCO[C@@H](CN[C@H](C)c1ccsc1)C1CC1 ZINC000625401693 343414226 /nfs/dbraw/zinc/41/42/26/343414226.db2.gz YVJVACBXECCBHK-MFKMUULPSA-N 0 3 239.384 3.214 20 0 BGADHN CCO[C@H](CN[C@H](C)c1ccsc1)C1CC1 ZINC000625401694 343414211 /nfs/dbraw/zinc/41/42/11/343414211.db2.gz YVJVACBXECCBHK-ZWNOBZJWSA-N 0 3 239.384 3.214 20 0 BGADHN CCC[C@@H](C)CCCN1CCN(CC)C[C@@H]1C ZINC000625425883 343727168 /nfs/dbraw/zinc/72/71/68/343727168.db2.gz SZPODVKKSYDKRC-CABCVRRESA-N 0 3 240.435 3.229 20 0 BGADHN CCC[C@H](C)CCCN1CCN(CC)C[C@@H]1C ZINC000625425884 343727437 /nfs/dbraw/zinc/72/74/37/343727437.db2.gz SZPODVKKSYDKRC-GJZGRUSLSA-N 0 3 240.435 3.229 20 0 BGADHN CCC[C@@H](C)CCCN1CCN(CC)C[C@H]1C ZINC000625425885 343727192 /nfs/dbraw/zinc/72/71/92/343727192.db2.gz SZPODVKKSYDKRC-HUUCEWRRSA-N 0 3 240.435 3.229 20 0 BGADHN CCC[C@H](C)CCCN1CCN(CC)C[C@H]1C ZINC000625425886 343727407 /nfs/dbraw/zinc/72/74/07/343727407.db2.gz SZPODVKKSYDKRC-LSDHHAIUSA-N 0 3 240.435 3.229 20 0 BGADHN c1nc2c([nH]1)CN(CCC1CCCCCC1)CC2 ZINC000625434242 343735018 /nfs/dbraw/zinc/73/50/18/343735018.db2.gz KSEGRYCBEGJCTR-UHFFFAOYSA-N 0 3 247.386 3.128 20 0 BGADHN Cc1ccc(CN(C)CC2CC(C)(C)C2)nc1 ZINC000625467340 343871831 /nfs/dbraw/zinc/87/18/31/343871831.db2.gz DKKBPWQIYPAURL-UHFFFAOYSA-N 0 3 232.371 3.258 20 0 BGADHN CCC[C@@H](C)CCCN[C@H](C)c1ccn(C)n1 ZINC000625467554 343871795 /nfs/dbraw/zinc/87/17/95/343871795.db2.gz DVQYCWJMVYIJQF-CHWSQXEVSA-N 0 3 237.391 3.287 20 0 BGADHN CCC[C@@H](C)CCCN[C@@H](C)c1ccn(C)n1 ZINC000625467555 343871966 /nfs/dbraw/zinc/87/19/66/343871966.db2.gz DVQYCWJMVYIJQF-OLZOCXBDSA-N 0 3 237.391 3.287 20 0 BGADHN CCC[C@H](C)CCCN[C@H](C)c1ccn(C)n1 ZINC000625467556 343871958 /nfs/dbraw/zinc/87/19/58/343871958.db2.gz DVQYCWJMVYIJQF-QWHCGFSZSA-N 0 3 237.391 3.287 20 0 BGADHN CCC[C@H](C)CCCN[C@@H](C)c1ccn(C)n1 ZINC000625467557 343871792 /nfs/dbraw/zinc/87/17/92/343871792.db2.gz DVQYCWJMVYIJQF-STQMWFEESA-N 0 3 237.391 3.287 20 0 BGADHN CCC[C@@H](C)CCCN(C)Cc1cnc[nH]1 ZINC000625529314 343918882 /nfs/dbraw/zinc/91/88/82/343918882.db2.gz UTAFJZHTEBJULA-GFCCVEGCSA-N 0 3 223.364 3.058 20 0 BGADHN CCC[C@H](C)CCCN(C)Cc1cnc[nH]1 ZINC000625529315 343918908 /nfs/dbraw/zinc/91/89/08/343918908.db2.gz UTAFJZHTEBJULA-LBPRGKRZSA-N 0 3 223.364 3.058 20 0 BGADHN C[C@@H]1C[C@@H]1CN1CC[C@@H]1c1ccc(F)cc1 ZINC000625537646 343924968 /nfs/dbraw/zinc/92/49/68/343924968.db2.gz PJWQSGMXWLTQID-MPKXVKKWSA-N 0 3 219.303 3.229 20 0 BGADHN C[C@@H]1C[C@H]1CN1CC[C@H]1c1ccc(F)cc1 ZINC000625537647 343924829 /nfs/dbraw/zinc/92/48/29/343924829.db2.gz PJWQSGMXWLTQID-OSMZGAPFSA-N 0 3 219.303 3.229 20 0 BGADHN C[C@@H]1C[C@@H]1CN1CC[C@H]1c1ccc(F)cc1 ZINC000625537648 343924717 /nfs/dbraw/zinc/92/47/17/343924717.db2.gz PJWQSGMXWLTQID-QKCSRTOESA-N 0 3 219.303 3.229 20 0 BGADHN C[C@@H]1C[C@H]1CN1CC[C@@H]1c1ccc(F)cc1 ZINC000625537649 343924659 /nfs/dbraw/zinc/92/46/59/343924659.db2.gz PJWQSGMXWLTQID-SCDSUCTJSA-N 0 3 219.303 3.229 20 0 BGADHN CC[C@@H](NCc1cc(O)ccc1Cl)C1CC1 ZINC000625538564 343925326 /nfs/dbraw/zinc/92/53/26/343925326.db2.gz HJHHPTMXRVTNGB-CYBMUJFWSA-N 0 3 239.746 3.324 20 0 BGADHN CC[C@H](NCc1cc(O)ccc1Cl)C1CC1 ZINC000625538565 343925226 /nfs/dbraw/zinc/92/52/26/343925226.db2.gz HJHHPTMXRVTNGB-ZDUSSCGKSA-N 0 3 239.746 3.324 20 0 BGADHN Cc1ccc(CN2CC3CC2(C)C3)cc1F ZINC000625565447 343995036 /nfs/dbraw/zinc/99/50/36/343995036.db2.gz SHVSJZLDUHBIQV-UHFFFAOYSA-N 0 3 219.303 3.118 20 0 BGADHN CC(C)=CCN1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000625645171 344024574 /nfs/dbraw/zinc/02/45/74/344024574.db2.gz GBSLYTUPAXFTQE-GHMZBOCLSA-N 0 3 217.303 3.176 20 0 BGADHN CC(C)=CCN1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000625645172 344024657 /nfs/dbraw/zinc/02/46/57/344024657.db2.gz GBSLYTUPAXFTQE-PHIMTYICSA-N 0 3 217.303 3.176 20 0 BGADHN CC(C)=CCN1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC000625645173 344024442 /nfs/dbraw/zinc/02/44/42/344024442.db2.gz GBSLYTUPAXFTQE-QWRGUYRKSA-N 0 3 217.303 3.176 20 0 BGADHN CCCCOCCN1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC000625646034 344024380 /nfs/dbraw/zinc/02/43/80/344024380.db2.gz JAIQRGZCIVEKEU-RYUDHWBXSA-N 0 3 249.345 3.026 20 0 BGADHN CCCCOCCN1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000625646042 344024520 /nfs/dbraw/zinc/02/45/20/344024520.db2.gz JAIQRGZCIVEKEU-TXEJJXNPSA-N 0 3 249.345 3.026 20 0 BGADHN CCCCOCCN1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000625646044 344024421 /nfs/dbraw/zinc/02/44/21/344024421.db2.gz JAIQRGZCIVEKEU-VXGBXAGGSA-N 0 3 249.345 3.026 20 0 BGADHN C[C@@H]1CN(CCC(F)(F)F)C[C@@H](C)C1(F)F ZINC000625647509 344024894 /nfs/dbraw/zinc/02/48/94/344024894.db2.gz FOAUDWFEVFBIFK-HTQZYQBOSA-N 0 3 245.235 3.162 20 0 BGADHN C[C@@H]1CN(CCC(F)(F)F)C[C@H](C)C1(F)F ZINC000625647513 344024890 /nfs/dbraw/zinc/02/48/90/344024890.db2.gz FOAUDWFEVFBIFK-OCAPTIKFSA-N 0 3 245.235 3.162 20 0 BGADHN C[C@H]1CN(CCC(F)(F)F)C[C@H](C)C1(F)F ZINC000625647515 344025286 /nfs/dbraw/zinc/02/52/86/344025286.db2.gz FOAUDWFEVFBIFK-YUMQZZPRSA-N 0 3 245.235 3.162 20 0 BGADHN C[C@@H]1CN(CCOC(C)(C)C)C[C@@H](C)C1(F)F ZINC000625650449 344023396 /nfs/dbraw/zinc/02/33/96/344023396.db2.gz RTAGDPVLWLHRFN-GHMZBOCLSA-N 0 3 249.345 3.025 20 0 BGADHN C[C@@H]1CN(CCOC(C)(C)C)C[C@H](C)C1(F)F ZINC000625650450 344023795 /nfs/dbraw/zinc/02/37/95/344023795.db2.gz RTAGDPVLWLHRFN-PHIMTYICSA-N 0 3 249.345 3.025 20 0 BGADHN C[C@H]1CN(CCOC(C)(C)C)C[C@H](C)C1(F)F ZINC000625650451 344023805 /nfs/dbraw/zinc/02/38/05/344023805.db2.gz RTAGDPVLWLHRFN-QWRGUYRKSA-N 0 3 249.345 3.025 20 0 BGADHN C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1(F)F ZINC000625651007 344023593 /nfs/dbraw/zinc/02/35/93/344023593.db2.gz ZPHLVBAZEFWJHC-RYUDHWBXSA-N 0 3 239.309 3.410 20 0 BGADHN C[C@@H]1CN(Cc2ccccc2)C[C@H](C)C1(F)F ZINC000625651008 344023812 /nfs/dbraw/zinc/02/38/12/344023812.db2.gz ZPHLVBAZEFWJHC-TXEJJXNPSA-N 0 3 239.309 3.410 20 0 BGADHN C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1(F)F ZINC000625651009 344023777 /nfs/dbraw/zinc/02/37/77/344023777.db2.gz ZPHLVBAZEFWJHC-VXGBXAGGSA-N 0 3 239.309 3.410 20 0 BGADHN C[C@@H]1CN(Cc2ccsc2)C[C@H](C)C1(F)F ZINC000625651191 344023680 /nfs/dbraw/zinc/02/36/80/344023680.db2.gz AUDFLTZWWFSIOF-AOOOYVTPSA-N 0 3 245.338 3.471 20 0 BGADHN C[C@@H]1CN(Cc2ccsc2)C[C@@H](C)C1(F)F ZINC000625651192 344023736 /nfs/dbraw/zinc/02/37/36/344023736.db2.gz AUDFLTZWWFSIOF-NXEZZACHSA-N 0 3 245.338 3.471 20 0 BGADHN C[C@H]1CN(Cc2ccsc2)C[C@H](C)C1(F)F ZINC000625651193 344023598 /nfs/dbraw/zinc/02/35/98/344023598.db2.gz AUDFLTZWWFSIOF-UWVGGRQHSA-N 0 3 245.338 3.471 20 0 BGADHN C[C@@H]1CN(Cc2cccs2)C[C@H](C)C1(F)F ZINC000625656033 344025799 /nfs/dbraw/zinc/02/57/99/344025799.db2.gz YRKUTSHYCFODCY-AOOOYVTPSA-N 0 3 245.338 3.471 20 0 BGADHN C[C@@H]1CN(Cc2cccs2)C[C@@H](C)C1(F)F ZINC000625656035 344025701 /nfs/dbraw/zinc/02/57/01/344025701.db2.gz YRKUTSHYCFODCY-NXEZZACHSA-N 0 3 245.338 3.471 20 0 BGADHN C[C@H]1CN(Cc2cccs2)C[C@H](C)C1(F)F ZINC000625656037 344025718 /nfs/dbraw/zinc/02/57/18/344025718.db2.gz YRKUTSHYCFODCY-UWVGGRQHSA-N 0 3 245.338 3.471 20 0 BGADHN CCN1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000625659557 344026128 /nfs/dbraw/zinc/02/61/28/344026128.db2.gz ROIOLCLOYJYZRY-LLVKDONJSA-N 0 3 225.282 3.164 20 0 BGADHN CCN1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000625659559 344026044 /nfs/dbraw/zinc/02/60/44/344026044.db2.gz ROIOLCLOYJYZRY-NSHDSACASA-N 0 3 225.282 3.164 20 0 BGADHN Cc1ncc(CN2CC(C)(C)CCC2(C)C)cn1 ZINC000625722818 344056176 /nfs/dbraw/zinc/05/61/76/344056176.db2.gz FRIMRIACRRNHPS-UHFFFAOYSA-N 0 3 247.386 3.186 20 0 BGADHN Cc1cc(CN2CC(C)(C)CCC2(C)C)nn1C ZINC000625722935 344056803 /nfs/dbraw/zinc/05/68/03/344056803.db2.gz GYELYZIYWAHDNI-UHFFFAOYSA-N 0 3 249.402 3.129 20 0 BGADHN Cc1cc(CN2CC(C)(C)CCC2(C)C)on1 ZINC000625722949 344056662 /nfs/dbraw/zinc/05/66/62/344056662.db2.gz LQVWZIGUJZYOEP-UHFFFAOYSA-N 0 3 236.359 3.384 20 0 BGADHN CC1(C)CCC(C)(C)N(Cc2ccno2)C1 ZINC000625723611 344056914 /nfs/dbraw/zinc/05/69/14/344056914.db2.gz XTVVLFYEUKWFIO-UHFFFAOYSA-N 0 3 222.332 3.075 20 0 BGADHN Cc1nccc(CN2CC(C)(C)CCC2(C)C)n1 ZINC000625723785 344056576 /nfs/dbraw/zinc/05/65/76/344056576.db2.gz VHLDZRSAMMWFAY-UHFFFAOYSA-N 0 3 247.386 3.186 20 0 BGADHN Cc1cc(CN2CC(C)(C)CCC2(C)C)ncn1 ZINC000625724047 344056710 /nfs/dbraw/zinc/05/67/10/344056710.db2.gz HFEOLQZYLACEEY-UHFFFAOYSA-N 0 3 247.386 3.186 20 0 BGADHN Oc1ccc2c(c1)CN(CC1CCCCC1)C2 ZINC000625724244 344056466 /nfs/dbraw/zinc/05/64/66/344056466.db2.gz DLKNEYINPRMDEU-UHFFFAOYSA-N 0 3 231.339 3.288 20 0 BGADHN Cc1nocc1CN1CC(C)(C)CCC1(C)C ZINC000625724735 344057211 /nfs/dbraw/zinc/05/72/11/344057211.db2.gz KSKRPXJXYRCSKJ-UHFFFAOYSA-N 0 3 236.359 3.384 20 0 BGADHN Oc1ccc2c(c1)CN(CC13CCC(CC1)C3)C2 ZINC000625726730 344058097 /nfs/dbraw/zinc/05/80/97/344058097.db2.gz BIAJPMQWPGRPQL-UHFFFAOYSA-N 0 3 243.350 3.288 20 0 BGADHN CC(C)C[C@@H](C)CN1Cc2ccc(O)cc2C1 ZINC000625726758 344057957 /nfs/dbraw/zinc/05/79/57/344057957.db2.gz BXOBLKVXULAZIX-GFCCVEGCSA-N 0 3 233.355 3.390 20 0 BGADHN CC(C)C[C@H](C)CN1Cc2ccc(O)cc2C1 ZINC000625726759 344057814 /nfs/dbraw/zinc/05/78/14/344057814.db2.gz BXOBLKVXULAZIX-LBPRGKRZSA-N 0 3 233.355 3.390 20 0 BGADHN CC(C)(C)CCN1Cc2ccc(O)cc2C1 ZINC000625726983 344058785 /nfs/dbraw/zinc/05/87/85/344058785.db2.gz NFVSRNSSLAWYAM-UHFFFAOYSA-N 0 3 219.328 3.144 20 0 BGADHN CC(C)C[C@@H](C)N1Cc2ccc(O)cc2C1 ZINC000625727826 344059433 /nfs/dbraw/zinc/05/94/33/344059433.db2.gz MZNXXBBBHGSDSG-LLVKDONJSA-N 0 3 219.328 3.142 20 0 BGADHN CC(C)C[C@H](C)N1Cc2ccc(O)cc2C1 ZINC000625727827 344059285 /nfs/dbraw/zinc/05/92/85/344059285.db2.gz MZNXXBBBHGSDSG-NSHDSACASA-N 0 3 219.328 3.142 20 0 BGADHN CCC(CC)CN1Cc2ccc(O)cc2C1 ZINC000625728252 344059815 /nfs/dbraw/zinc/05/98/15/344059815.db2.gz CVFFIUSBUQXCDR-UHFFFAOYSA-N 0 3 219.328 3.144 20 0 BGADHN Oc1ccc2c(c1)CN(C[C@@H]1CC[C@@H]3C[C@@H]3C1)C2 ZINC000625728401 344059780 /nfs/dbraw/zinc/05/97/80/344059780.db2.gz NSHBONZQKXNZRH-BZPMIXESSA-N 0 3 243.350 3.144 20 0 BGADHN Oc1ccc2c(c1)CN(C[C@@H]1CC[C@H]3C[C@H]3C1)C2 ZINC000625728403 344059845 /nfs/dbraw/zinc/05/98/45/344059845.db2.gz NSHBONZQKXNZRH-MBNYWOFBSA-N 0 3 243.350 3.144 20 0 BGADHN Fc1cccc(CN2CCCC(F)(F)CC2)c1 ZINC000625764145 344067940 /nfs/dbraw/zinc/06/79/40/344067940.db2.gz AGEGGCMVOMANKC-UHFFFAOYSA-N 0 3 243.272 3.447 20 0 BGADHN FC1(F)CCCN(Cc2ccccc2)CC1 ZINC000625765157 344067606 /nfs/dbraw/zinc/06/76/06/344067606.db2.gz HSGIIDWFQFKXRX-UHFFFAOYSA-N 0 3 225.282 3.308 20 0 BGADHN CC(C)=CCN1CCCC(F)(F)CC1 ZINC000625767266 344068239 /nfs/dbraw/zinc/06/82/39/344068239.db2.gz HQNKSHNNUAYMAZ-UHFFFAOYSA-N 0 3 203.276 3.074 20 0 BGADHN Cc1cccc(CN2CCCC(F)(F)CC2)n1 ZINC000625767457 344068450 /nfs/dbraw/zinc/06/84/50/344068450.db2.gz BCSHBSPSEWQJPZ-UHFFFAOYSA-N 0 3 240.297 3.011 20 0 BGADHN C[C@H](c1ccncc1)N1CCCC(F)(F)CC1 ZINC000625768208 344068852 /nfs/dbraw/zinc/06/88/52/344068852.db2.gz FHRFOLAURRMXSY-LLVKDONJSA-N 0 3 240.297 3.264 20 0 BGADHN C[C@@H](c1ccncc1)N1CCCC(F)(F)CC1 ZINC000625768209 344069019 /nfs/dbraw/zinc/06/90/19/344069019.db2.gz FHRFOLAURRMXSY-NSHDSACASA-N 0 3 240.297 3.264 20 0 BGADHN CC(C)CCOCCN1CCCC(F)(F)CC1 ZINC000625768507 344068947 /nfs/dbraw/zinc/06/89/47/344068947.db2.gz JWGZSVMVLXVBJK-UHFFFAOYSA-N 0 3 249.345 3.170 20 0 BGADHN Fc1ccc(CN2CCCC(F)(F)CC2)cc1 ZINC000625768633 344069092 /nfs/dbraw/zinc/06/90/92/344069092.db2.gz YJPKZBVVSHVJGL-UHFFFAOYSA-N 0 3 243.272 3.447 20 0 BGADHN C[C@H](c1cccnc1)N1CCCC(F)(F)CC1 ZINC000625768986 344069182 /nfs/dbraw/zinc/06/91/82/344069182.db2.gz ZZILTIIBHKYRCK-LLVKDONJSA-N 0 3 240.297 3.264 20 0 BGADHN C[C@@H](c1cccnc1)N1CCCC(F)(F)CC1 ZINC000625768987 344069364 /nfs/dbraw/zinc/06/93/64/344069364.db2.gz ZZILTIIBHKYRCK-NSHDSACASA-N 0 3 240.297 3.264 20 0 BGADHN FC1(F)CCCN(Cc2cccs2)CC1 ZINC000625769096 344069670 /nfs/dbraw/zinc/06/96/70/344069670.db2.gz AIRXPPSADYRFND-UHFFFAOYSA-N 0 3 231.311 3.369 20 0 BGADHN C[C@H](c1ccccn1)N1CCCC(F)(F)CC1 ZINC000625769177 344069762 /nfs/dbraw/zinc/06/97/62/344069762.db2.gz DKZCALQFJWMZSX-LLVKDONJSA-N 0 3 240.297 3.264 20 0 BGADHN C[C@@H](c1ccccn1)N1CCCC(F)(F)CC1 ZINC000625769178 344069484 /nfs/dbraw/zinc/06/94/84/344069484.db2.gz DKZCALQFJWMZSX-NSHDSACASA-N 0 3 240.297 3.264 20 0 BGADHN FC(F)(F)CCN1CCCC(F)(F)CC1 ZINC000625769414 344069990 /nfs/dbraw/zinc/06/99/90/344069990.db2.gz PBBGISBTAUYCGE-UHFFFAOYSA-N 0 3 231.208 3.060 20 0 BGADHN CC1(C)CC[C@H](CN2CCCC(F)(F)CC2)O1 ZINC000625769749 344065355 /nfs/dbraw/zinc/06/53/55/344065355.db2.gz CTZDCEWMFDOICF-LLVKDONJSA-N 0 3 247.329 3.065 20 0 BGADHN CC1(C)CC[C@@H](CN2CCCC(F)(F)CC2)O1 ZINC000625769750 344065207 /nfs/dbraw/zinc/06/52/07/344065207.db2.gz CTZDCEWMFDOICF-NSHDSACASA-N 0 3 247.329 3.065 20 0 BGADHN Cc1ccnc(CN2CCCC(F)(F)CC2)c1 ZINC000625770150 344065653 /nfs/dbraw/zinc/06/56/53/344065653.db2.gz HDMBKJWNYPJPPC-UHFFFAOYSA-N 0 3 240.297 3.011 20 0 BGADHN Cc1cncc(CN2CCCC(F)(F)CC2)c1 ZINC000625770172 344065647 /nfs/dbraw/zinc/06/56/47/344065647.db2.gz HIDCCZLVUBTYRE-UHFFFAOYSA-N 0 3 240.297 3.011 20 0 BGADHN Cc1ccncc1CN1CCCC(F)(F)CC1 ZINC000625770461 344066320 /nfs/dbraw/zinc/06/63/20/344066320.db2.gz WQBUBVNGZDKUNF-UHFFFAOYSA-N 0 3 240.297 3.011 20 0 BGADHN Cc1cccnc1CN1CCCC(F)(F)CC1 ZINC000625770483 344066361 /nfs/dbraw/zinc/06/63/61/344066361.db2.gz KGKRUJSQPMQXQQ-UHFFFAOYSA-N 0 3 240.297 3.011 20 0 BGADHN Cc1cnccc1CN1CCCC(F)(F)CC1 ZINC000625771139 344067032 /nfs/dbraw/zinc/06/70/32/344067032.db2.gz BIVULJASUQZLTA-UHFFFAOYSA-N 0 3 240.297 3.011 20 0 BGADHN Cc1ncccc1CN1CCCC(F)(F)CC1 ZINC000625771155 344067208 /nfs/dbraw/zinc/06/72/08/344067208.db2.gz BQHDMOJFPLEWGT-UHFFFAOYSA-N 0 3 240.297 3.011 20 0 BGADHN Cc1cc(CN2CCCC(F)(F)CC2)ccn1 ZINC000625771225 344067058 /nfs/dbraw/zinc/06/70/58/344067058.db2.gz DDZYYYYIKKFOCU-UHFFFAOYSA-N 0 3 240.297 3.011 20 0 BGADHN CC(C)OC1CC(N2CCCC(F)(F)CC2)C1 ZINC000625771605 344067313 /nfs/dbraw/zinc/06/73/13/344067313.db2.gz HSHBFYRAUMSVAW-UHFFFAOYSA-N 0 3 247.329 3.064 20 0 BGADHN FC1(F)CCCN(Cc2ccsc2)CC1 ZINC000625771753 344067626 /nfs/dbraw/zinc/06/76/26/344067626.db2.gz JZPYXDAHJPJWED-UHFFFAOYSA-N 0 3 231.311 3.369 20 0 BGADHN Cc1ncsc1CN1CCCC(F)(F)CC1 ZINC000625772420 344069780 /nfs/dbraw/zinc/06/97/80/344069780.db2.gz ONAHTPKERHMOBV-UHFFFAOYSA-N 0 3 246.326 3.073 20 0 BGADHN C1=C[C@@H](N2CC[C@H]3CC[C@@H](C2)S3)CCC1 ZINC000625774083 344070518 /nfs/dbraw/zinc/07/05/18/344070518.db2.gz BPFUCKMNAUTHEJ-UPJWGTAASA-N 0 3 223.385 3.065 20 0 BGADHN C1=C[C@H](N2CC[C@H]3CC[C@@H](C2)S3)CCC1 ZINC000625774084 344070232 /nfs/dbraw/zinc/07/02/32/344070232.db2.gz BPFUCKMNAUTHEJ-XQQFMLRXSA-N 0 3 223.385 3.065 20 0 BGADHN C[C@H](c1cccnc1)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000625774858 344071161 /nfs/dbraw/zinc/07/11/61/344071161.db2.gz JJZOXMQDAUANNO-BNOWGMLFSA-N 0 3 248.395 3.113 20 0 BGADHN C[C@@H](c1cccnc1)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000625774860 344071250 /nfs/dbraw/zinc/07/12/50/344071250.db2.gz JJZOXMQDAUANNO-YUTCNCBUSA-N 0 3 248.395 3.113 20 0 BGADHN C[C@H](c1ccncc1)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000625775599 344071065 /nfs/dbraw/zinc/07/10/65/344071065.db2.gz UKPCHGFBUXAECR-BNOWGMLFSA-N 0 3 248.395 3.113 20 0 BGADHN C[C@@H](c1ccncc1)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000625775600 344071246 /nfs/dbraw/zinc/07/12/46/344071246.db2.gz UKPCHGFBUXAECR-YUTCNCBUSA-N 0 3 248.395 3.113 20 0 BGADHN C[C@H](c1ccccn1)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000625776289 344071078 /nfs/dbraw/zinc/07/10/78/344071078.db2.gz DLGWFEUSBFEFIC-UPJWGTAASA-N 0 3 248.395 3.113 20 0 BGADHN C[C@@H](c1ccccn1)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000625776290 344070883 /nfs/dbraw/zinc/07/08/83/344070883.db2.gz DLGWFEUSBFEFIC-XQQFMLRXSA-N 0 3 248.395 3.113 20 0 BGADHN c1cc(CN2CC[C@H]3CC[C@@H](C2)S3)cs1 ZINC000625778004 344072551 /nfs/dbraw/zinc/07/25/51/344072551.db2.gz LVQYSNJWCNJKPP-NEPJUHHUSA-N 0 3 239.409 3.218 20 0 BGADHN C1=C(CN2CC[C@H]3CC[C@@H](C2)S3)CCC1 ZINC000625780026 344072909 /nfs/dbraw/zinc/07/29/09/344072909.db2.gz XTCMCFCWRUJCOI-OLZOCXBDSA-N 0 3 223.385 3.067 20 0 BGADHN CC[C@H](C)c1cccc(NC(=O)[C@@H](N)C(C)C)c1 ZINC000625814800 344082277 /nfs/dbraw/zinc/08/22/77/344082277.db2.gz VWOPKCCMOSVWLO-FZMZJTMJSA-N 0 3 248.370 3.122 20 0 BGADHN CC[C@@H](C)c1cccc(NC(=O)[C@@H](N)C(C)C)c1 ZINC000625814801 344082309 /nfs/dbraw/zinc/08/23/09/344082309.db2.gz VWOPKCCMOSVWLO-RISCZKNCSA-N 0 3 248.370 3.122 20 0 BGADHN Clc1cccc(CN(C2CC2)C2CC2)c1 ZINC000625833401 344091253 /nfs/dbraw/zinc/09/12/53/344091253.db2.gz BUGGAFABVJIKOK-UHFFFAOYSA-N 0 3 221.731 3.467 20 0 BGADHN Fc1ccc(CN(C2CC2)C2CC2)cc1F ZINC000625835859 344089455 /nfs/dbraw/zinc/08/94/55/344089455.db2.gz XAEBRRZRNBYSFI-UHFFFAOYSA-N 0 3 223.266 3.092 20 0 BGADHN Cc1cccc(OCCN(C2CC2)C2CC2)c1 ZINC000625836945 344090070 /nfs/dbraw/zinc/09/00/70/344090070.db2.gz IVGVXTDFORDYQT-UHFFFAOYSA-N 0 3 231.339 3.001 20 0 BGADHN COc1ccc(C)cc1CN(C1CC1)C1CC1 ZINC000625837705 344089800 /nfs/dbraw/zinc/08/98/00/344089800.db2.gz RCOGZLZBQNSVBF-UHFFFAOYSA-N 0 3 231.339 3.130 20 0 BGADHN Cc1cc(CN(C2CC2)C2CC2)c(C)s1 ZINC000625837898 344090834 /nfs/dbraw/zinc/09/08/34/344090834.db2.gz PRWJYZUYMMPHJN-UHFFFAOYSA-N 0 3 221.369 3.492 20 0 BGADHN C(=C\c1ccccc1)\CN(C1CC1)C1CC1 ZINC000625838005 344090614 /nfs/dbraw/zinc/09/06/14/344090614.db2.gz TZOABJRYXNIOPU-DAXSKMNVSA-N 0 3 213.324 3.327 20 0 BGADHN C(=C/c1ccccc1)\CN(C1CC1)C1CC1 ZINC000625838014 344090443 /nfs/dbraw/zinc/09/04/43/344090443.db2.gz TZOABJRYXNIOPU-QPJJXVBHSA-N 0 3 213.324 3.327 20 0 BGADHN C[C@@H]1CCCC[C@@H]1OCCN(C1CC1)C1CC1 ZINC000625838313 344090649 /nfs/dbraw/zinc/09/06/49/344090649.db2.gz YXOUIIJBXIQGHL-DOMZBBRYSA-N 0 3 237.387 3.209 20 0 BGADHN C[C@@H]1CCCC[C@H]1OCCN(C1CC1)C1CC1 ZINC000625838314 344090464 /nfs/dbraw/zinc/09/04/64/344090464.db2.gz YXOUIIJBXIQGHL-IUODEOHRSA-N 0 3 237.387 3.209 20 0 BGADHN C[C@H]1CCCC[C@H]1OCCN(C1CC1)C1CC1 ZINC000625838315 344090454 /nfs/dbraw/zinc/09/04/54/344090454.db2.gz YXOUIIJBXIQGHL-SWLSCSKDSA-N 0 3 237.387 3.209 20 0 BGADHN C[C@H]1CCCC[C@@H]1OCCN(C1CC1)C1CC1 ZINC000625838316 344090450 /nfs/dbraw/zinc/09/04/50/344090450.db2.gz YXOUIIJBXIQGHL-WFASDCNBSA-N 0 3 237.387 3.209 20 0 BGADHN c1ccc(SCCN(C2CC2)C2CC2)cc1 ZINC000625839446 344092543 /nfs/dbraw/zinc/09/25/43/344092543.db2.gz ZNTCXVCCXOVDGC-UHFFFAOYSA-N 0 3 233.380 3.406 20 0 BGADHN Fc1cccc(F)c1CCN(C1CC1)C1CC1 ZINC000625840892 344092292 /nfs/dbraw/zinc/09/22/92/344092292.db2.gz FSYWWVQZHYTQMS-UHFFFAOYSA-N 0 3 237.293 3.134 20 0 BGADHN COc1cc(CN(C2CC2)C2CC2)ccc1C ZINC000625840952 344092840 /nfs/dbraw/zinc/09/28/40/344092840.db2.gz GLQZFJHBVPFPBZ-UHFFFAOYSA-N 0 3 231.339 3.130 20 0 BGADHN c1ccc(OC2CC2)c(CN(C2CC2)C2CC2)c1 ZINC000625841090 344094931 /nfs/dbraw/zinc/09/49/31/344094931.db2.gz IJRYRFZKSQMMKB-UHFFFAOYSA-N 0 3 243.350 3.355 20 0 BGADHN C([C@@H]1CCC2(CCCC2)O1)N(C1CC1)C1CC1 ZINC000625841105 344094870 /nfs/dbraw/zinc/09/48/70/344094870.db2.gz CKVOPGLEEKXPEP-AWEZNQCLSA-N 0 3 235.371 3.105 20 0 BGADHN C([C@H]1CCC2(CCCC2)O1)N(C1CC1)C1CC1 ZINC000625841110 344095073 /nfs/dbraw/zinc/09/50/73/344095073.db2.gz CKVOPGLEEKXPEP-CQSZACIVSA-N 0 3 235.371 3.105 20 0 BGADHN Fc1cc(F)cc(CN(C2CC2)C2CC2)c1 ZINC000625841215 344094958 /nfs/dbraw/zinc/09/49/58/344094958.db2.gz FDMYUWXCUCWDDF-UHFFFAOYSA-N 0 3 223.266 3.092 20 0 BGADHN c1ccc2ncc(CN(C3CC3)C3CC3)cc2c1 ZINC000625841324 344094944 /nfs/dbraw/zinc/09/49/44/344094944.db2.gz KIBGMCNRWVPVPD-UHFFFAOYSA-N 0 3 238.334 3.362 20 0 BGADHN Cc1ccc(CN(C2CC2)C2CC2)cc1F ZINC000625841911 344093318 /nfs/dbraw/zinc/09/33/18/344093318.db2.gz LRGSTBUFOBCBFQ-UHFFFAOYSA-N 0 3 219.303 3.261 20 0 BGADHN CO[C@@H](CN(C1CC1)C1CC1)c1ccccc1 ZINC000625842100 344093047 /nfs/dbraw/zinc/09/30/47/344093047.db2.gz VSCKNXFPFLQREI-HNNXBMFYSA-N 0 3 231.339 3.001 20 0 BGADHN CO[C@H](CN(C1CC1)C1CC1)c1ccccc1 ZINC000625842101 344093040 /nfs/dbraw/zinc/09/30/40/344093040.db2.gz VSCKNXFPFLQREI-OAHLLOKOSA-N 0 3 231.339 3.001 20 0 BGADHN Cc1ccc(F)cc1CN(C1CC1)C1CC1 ZINC000625842436 344093639 /nfs/dbraw/zinc/09/36/39/344093639.db2.gz JGLHTCYYTFMPKH-UHFFFAOYSA-N 0 3 219.303 3.261 20 0 BGADHN Cc1cc(F)ccc1CN(C1CC1)C1CC1 ZINC000625842480 344093872 /nfs/dbraw/zinc/09/38/72/344093872.db2.gz KDKFBYBSDHESAE-UHFFFAOYSA-N 0 3 219.303 3.261 20 0 BGADHN Cc1ccc(C(=O)CCN(C2CC2)C2CC2)cc1 ZINC000625843500 344094259 /nfs/dbraw/zinc/09/42/59/344094259.db2.gz WJUFBASJTGZJHI-UHFFFAOYSA-N 0 3 243.350 3.195 20 0 BGADHN O=C(CCN(C1CC1)C1CC1)c1ccc(F)cc1 ZINC000625843509 344094241 /nfs/dbraw/zinc/09/42/41/344094241.db2.gz WOTVAWJAPYDLGY-UHFFFAOYSA-N 0 3 247.313 3.025 20 0 BGADHN Fc1cccc(CCN(C2CC2)C2CC2)c1F ZINC000625843522 344094406 /nfs/dbraw/zinc/09/44/06/344094406.db2.gz XCMDOPCLOYZUQB-UHFFFAOYSA-N 0 3 237.293 3.134 20 0 BGADHN C[C@@H](CN1CCO[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000625850782 344119232 /nfs/dbraw/zinc/11/92/32/344119232.db2.gz NEJQQYMDMKMAFN-CWRNSKLLSA-N 0 3 245.366 3.043 20 0 BGADHN CC(C)(CCN1CCO[C@@H]2CCC[C@@H]21)C1CC1 ZINC000625853800 344125864 /nfs/dbraw/zinc/12/58/64/344125864.db2.gz GKGYTJKFOZIFBB-UONOGXRCSA-N 0 3 237.387 3.066 20 0 BGADHN CC(C)CCOCCN1CCC(F)(F)C[C@H]1C ZINC000625979770 344644068 /nfs/dbraw/zinc/64/40/68/344644068.db2.gz XXTQEQMKDFRMJP-GFCCVEGCSA-N 0 3 249.345 3.169 20 0 BGADHN CC(C)CCOCCN1CCC(F)(F)C[C@@H]1C ZINC000625979771 344644061 /nfs/dbraw/zinc/64/40/61/344644061.db2.gz XXTQEQMKDFRMJP-LBPRGKRZSA-N 0 3 249.345 3.169 20 0 BGADHN C[C@@H]1CC(F)(F)CCN1CCCOC(C)(C)C ZINC000625979835 344648147 /nfs/dbraw/zinc/64/81/47/344648147.db2.gz GGAHURWROKRNFI-LLVKDONJSA-N 0 3 249.345 3.311 20 0 BGADHN C[C@H]1CC(F)(F)CCN1CCCOC(C)(C)C ZINC000625979836 344648318 /nfs/dbraw/zinc/64/83/18/344648318.db2.gz GGAHURWROKRNFI-NSHDSACASA-N 0 3 249.345 3.311 20 0 BGADHN C[C@H]1CC(F)(F)CCN1CC1=CCCC1 ZINC000625981378 344647892 /nfs/dbraw/zinc/64/78/92/344647892.db2.gz QRPUJVUKXAAWTJ-JTQLQIEISA-N 0 3 215.287 3.216 20 0 BGADHN C[C@@H]1CC(F)(F)CCN1CC1=CCCC1 ZINC000625981379 344645022 /nfs/dbraw/zinc/64/50/22/344645022.db2.gz QRPUJVUKXAAWTJ-SNVBAGLBSA-N 0 3 215.287 3.216 20 0 BGADHN FCC[C@H]1CN(CC2CCCCCC2)CCO1 ZINC000626004796 344666756 /nfs/dbraw/zinc/66/67/56/344666756.db2.gz OOCOUTVIKYAVNU-AWEZNQCLSA-N 0 3 243.366 3.017 20 0 BGADHN FCC[C@@H]1CN(CC2CCCCCC2)CCO1 ZINC000626004797 344666824 /nfs/dbraw/zinc/66/68/24/344666824.db2.gz OOCOUTVIKYAVNU-CQSZACIVSA-N 0 3 243.366 3.017 20 0 BGADHN FCC[C@H]1CN(CCC2CCCCC2)CCO1 ZINC000626004969 344666794 /nfs/dbraw/zinc/66/67/94/344666794.db2.gz RSQYLCZUYPQZKD-AWEZNQCLSA-N 0 3 243.366 3.017 20 0 BGADHN FCC[C@@H]1CN(CCC2CCCCC2)CCO1 ZINC000626004970 344666974 /nfs/dbraw/zinc/66/69/74/344666974.db2.gz RSQYLCZUYPQZKD-CQSZACIVSA-N 0 3 243.366 3.017 20 0 BGADHN CCN1CCc2cc(C(F)(F)F)ccc2C1 ZINC000626006826 344665219 /nfs/dbraw/zinc/66/52/19/344665219.db2.gz KZOXWHLDOSXYIF-UHFFFAOYSA-N 0 3 229.245 3.083 20 0 BGADHN CC(C)N1CCc2cc(C(F)(F)F)ccc2C1 ZINC000626006851 344665089 /nfs/dbraw/zinc/66/50/89/344665089.db2.gz LWHXSGKISMOBMF-UHFFFAOYSA-N 0 3 243.272 3.472 20 0 BGADHN CCCN1CCc2cc(C(F)(F)F)ccc2C1 ZINC000626007011 344665760 /nfs/dbraw/zinc/66/57/60/344665760.db2.gz QRKKIEAUDNCUGM-UHFFFAOYSA-N 0 3 243.272 3.474 20 0 BGADHN COc1cccc2c1CN(CC1CCCC1)C2 ZINC000626021669 344677165 /nfs/dbraw/zinc/67/71/65/344677165.db2.gz KZPZVJDEMCFROA-UHFFFAOYSA-N 0 3 231.339 3.201 20 0 BGADHN COc1cccc2c1CN([C@@H]1C=CCCC1)C2 ZINC000626021688 344677209 /nfs/dbraw/zinc/67/72/09/344677209.db2.gz LSPCLKOEKLYBSV-CYBMUJFWSA-N 0 3 229.323 3.120 20 0 BGADHN COc1cccc2c1CN([C@H]1C=CCCC1)C2 ZINC000626021689 344676979 /nfs/dbraw/zinc/67/69/79/344676979.db2.gz LSPCLKOEKLYBSV-ZDUSSCGKSA-N 0 3 229.323 3.120 20 0 BGADHN COc1cccc2c1CN(CCC(C)(C)C)C2 ZINC000626021697 344676967 /nfs/dbraw/zinc/67/69/67/344676967.db2.gz MARYBJLRQXHGDN-UHFFFAOYSA-N 0 3 233.355 3.447 20 0 BGADHN CC[C@@H](C)CN1Cc2cccc(OC)c2C1 ZINC000626022552 344677584 /nfs/dbraw/zinc/67/75/84/344677584.db2.gz YJIHRDOZACBOGT-LLVKDONJSA-N 0 3 219.328 3.057 20 0 BGADHN CC[C@H](C)CN1Cc2cccc(OC)c2C1 ZINC000626022553 344677711 /nfs/dbraw/zinc/67/77/11/344677711.db2.gz YJIHRDOZACBOGT-NSHDSACASA-N 0 3 219.328 3.057 20 0 BGADHN COc1cccc2c1CN([C@H](C)CC(C)C)C2 ZINC000626023450 344678000 /nfs/dbraw/zinc/67/80/00/344678000.db2.gz HXCJEHOXHJIYFD-GFCCVEGCSA-N 0 3 233.355 3.445 20 0 BGADHN COc1cccc2c1CN([C@@H](C)CC(C)C)C2 ZINC000626023451 344678294 /nfs/dbraw/zinc/67/82/94/344678294.db2.gz HXCJEHOXHJIYFD-LBPRGKRZSA-N 0 3 233.355 3.445 20 0 BGADHN COc1cccc2c1CN(CC1CC(C)(C)C1)C2 ZINC000626023756 344678364 /nfs/dbraw/zinc/67/83/64/344678364.db2.gz QCZJUTUWUQQABP-UHFFFAOYSA-N 0 3 245.366 3.447 20 0 BGADHN CCC(CC)CN1Cc2cccc(OC)c2C1 ZINC000626023906 344676003 /nfs/dbraw/zinc/67/60/03/344676003.db2.gz UYMJVBLLIXBWIG-UHFFFAOYSA-N 0 3 233.355 3.447 20 0 BGADHN COc1cccc2c1CN(C[C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC000626023933 344675744 /nfs/dbraw/zinc/67/57/44/344675744.db2.gz VVSBRBWKQLRGHX-UBSAEIQESA-N 0 3 243.350 3.057 20 0 BGADHN CC(C)(C)CCN1CCc2c(O)cccc2C1 ZINC000626026371 344679083 /nfs/dbraw/zinc/67/90/83/344679083.db2.gz HUJHTKDFNWPJPW-UHFFFAOYSA-N 0 3 233.355 3.187 20 0 BGADHN Oc1cccc2c1CCN(CCC1CCCC1)C2 ZINC000626026967 344679782 /nfs/dbraw/zinc/67/97/82/344679782.db2.gz GXUGDLGDQBBHON-UHFFFAOYSA-N 0 3 245.366 3.331 20 0 BGADHN CC(C)CCCN1CCc2c(O)cccc2C1 ZINC000626028388 344681051 /nfs/dbraw/zinc/68/10/51/344681051.db2.gz HSXJYPNJOPDJCD-UHFFFAOYSA-N 0 3 233.355 3.187 20 0 BGADHN CC(C)=CCCN1CCc2c(O)cccc2C1 ZINC000626028451 344681061 /nfs/dbraw/zinc/68/10/61/344681061.db2.gz KGVSYYXXRDHOHE-UHFFFAOYSA-N 0 3 231.339 3.107 20 0 BGADHN Oc1cccc2c1CCN(CCCC1CCC1)C2 ZINC000626028755 344681407 /nfs/dbraw/zinc/68/14/07/344681407.db2.gz XCTIVBKTVKGHFR-UHFFFAOYSA-N 0 3 245.366 3.331 20 0 BGADHN CC/C=C\CCN1CCc2c(O)cccc2C1 ZINC000626028768 344681256 /nfs/dbraw/zinc/68/12/56/344681256.db2.gz XMTLFKKEVXHEMB-ARJAWSKDSA-N 0 3 231.339 3.107 20 0 BGADHN CC/C=C/CCN1CCc2c(O)cccc2C1 ZINC000626028769 344681862 /nfs/dbraw/zinc/68/18/62/344681862.db2.gz XMTLFKKEVXHEMB-ONEGZZNKSA-N 0 3 231.339 3.107 20 0 BGADHN CC1(C)CC(CN2CCc3c(O)cccc3C2)C1 ZINC000626028988 344681756 /nfs/dbraw/zinc/68/17/56/344681756.db2.gz GVWWOCDGXNZYFO-UHFFFAOYSA-N 0 3 245.366 3.187 20 0 BGADHN CCN[C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000626100641 344739113 /nfs/dbraw/zinc/73/91/13/344739113.db2.gz USZJMHZSURAMHE-LLVKDONJSA-N 0 3 248.153 3.026 20 0 BGADHN CCN[C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000626100642 344739067 /nfs/dbraw/zinc/73/90/67/344739067.db2.gz USZJMHZSURAMHE-NSHDSACASA-N 0 3 248.153 3.026 20 0 BGADHN Cc1cc(CN2C[C@@H]3CCCC[C@@]32C)ccn1 ZINC000626102888 344739865 /nfs/dbraw/zinc/73/98/65/344739865.db2.gz AROIPEAPKWAUHS-GJZGRUSLSA-N 0 3 230.355 3.155 20 0 BGADHN Cc1cnccc1CN1C[C@@H]2CCCC[C@@]21C ZINC000626103216 344740134 /nfs/dbraw/zinc/74/01/34/344740134.db2.gz QCLVWWULGWFRFI-GJZGRUSLSA-N 0 3 230.355 3.155 20 0 BGADHN Cc1ncccc1CN1C[C@@H]2CCCC[C@@]21C ZINC000626103480 344741123 /nfs/dbraw/zinc/74/11/23/344741123.db2.gz BNANEDQRJWUEDK-GJZGRUSLSA-N 0 3 230.355 3.155 20 0 BGADHN Cc1ccc(CN2C[C@@H]3CCCC[C@@]32C)nc1 ZINC000626103501 344740908 /nfs/dbraw/zinc/74/09/08/344740908.db2.gz CIQWNPYWMADKGB-ZFWWWQNUSA-N 0 3 230.355 3.155 20 0 BGADHN Cc1ccnc(CN2C[C@@H]3CCCC[C@@]32C)c1 ZINC000626103515 344740686 /nfs/dbraw/zinc/74/06/86/344740686.db2.gz CZKLNKQLAWZCLL-ZFWWWQNUSA-N 0 3 230.355 3.155 20 0 BGADHN Cc1cccc(CN2C[C@@H]3CCCC[C@@]32C)n1 ZINC000626103572 344740722 /nfs/dbraw/zinc/74/07/22/344740722.db2.gz GLZASPXSBMTUCZ-ZFWWWQNUSA-N 0 3 230.355 3.155 20 0 BGADHN CCc1nc(C)c(CN2C[C@@H]3CCCC[C@@]32C)o1 ZINC000626103573 344740957 /nfs/dbraw/zinc/74/09/57/344740957.db2.gz GMZIOJGQZXIJLV-WFASDCNBSA-N 0 3 248.370 3.310 20 0 BGADHN Cc1ccc(CN2C[C@@H]3CCCC[C@@]32C)c(C)n1 ZINC000626103629 344743495 /nfs/dbraw/zinc/74/34/95/344743495.db2.gz ISXVFFJWKZNTCD-HOTGVXAUSA-N 0 3 244.382 3.463 20 0 BGADHN Cc1ccc(CN2C[C@@H]3CCCC[C@@]32C)cn1 ZINC000626103646 344743715 /nfs/dbraw/zinc/74/37/15/344743715.db2.gz JPNROFSXQLVCEM-GJZGRUSLSA-N 0 3 230.355 3.155 20 0 BGADHN Cc1cncc(CN2C[C@@H]3CCCC[C@@]32C)c1 ZINC000626103683 344743559 /nfs/dbraw/zinc/74/35/59/344743559.db2.gz LMIRIHVCGZQBRP-GJZGRUSLSA-N 0 3 230.355 3.155 20 0 BGADHN CCc1ccc(CN2C[C@@H]3CCCC[C@@]32C)nc1 ZINC000626103692 344743663 /nfs/dbraw/zinc/74/36/63/344743663.db2.gz LWQONCCZMOLAFM-HOCLYGCPSA-N 0 3 244.382 3.409 20 0 BGADHN Cc1noc(C)c1CCN1C[C@@H]2CCCC[C@@]21C ZINC000626103701 344743568 /nfs/dbraw/zinc/74/35/68/344743568.db2.gz MGXAZSYNKWRKDX-ZFWWWQNUSA-N 0 3 248.370 3.098 20 0 BGADHN Cc1ncsc1CN1C[C@@H]2CCCC[C@@]21C ZINC000626103725 344743779 /nfs/dbraw/zinc/74/37/79/344743779.db2.gz NDYGDFAMEOCROK-AAEUAGOBSA-N 0 3 236.384 3.216 20 0 BGADHN CCc1nocc1CN1C[C@@H]2CCCC[C@@]21C ZINC000626103731 344744185 /nfs/dbraw/zinc/74/41/85/344744185.db2.gz NKMSKRWBKREDGA-JSGCOSHPSA-N 0 3 234.343 3.002 20 0 BGADHN Cc1ncc(CN2C[C@@H]3CCCC[C@@]32C)s1 ZINC000626103802 344744469 /nfs/dbraw/zinc/74/44/69/344744469.db2.gz QLKLJOWPLJOJDS-AAEUAGOBSA-N 0 3 236.384 3.216 20 0 BGADHN Cc1noc(C)c1CN1C[C@@H]2CCCC[C@@]21C ZINC000626103816 344744861 /nfs/dbraw/zinc/74/48/61/344744861.db2.gz RDFXTCPVZFVFGL-JSGCOSHPSA-N 0 3 234.343 3.056 20 0 BGADHN Cc1cccnc1CN1C[C@@H]2CCCC[C@@]21C ZINC000626103913 344747950 /nfs/dbraw/zinc/74/79/50/344747950.db2.gz WOJLIRZAYZHTEO-ZFWWWQNUSA-N 0 3 230.355 3.155 20 0 BGADHN C[C@]12CCCC[C@H]1CN2CCC(F)(F)F ZINC000626103917 344747945 /nfs/dbraw/zinc/74/79/45/344747945.db2.gz XAEVLPBMUFYJBS-UWVGGRQHSA-N 0 3 221.266 3.203 20 0 BGADHN Cc1ccncc1CN1C[C@@H]2CCCC[C@@]21C ZINC000626104180 344902825 /nfs/dbraw/zinc/90/28/25/344902825.db2.gz HMMAHJZETZQTMX-GJZGRUSLSA-N 0 3 230.355 3.155 20 0 BGADHN CCc1noc(C)c1CN1C[C@@H]2CCCC[C@@]21C ZINC000626105186 344970076 /nfs/dbraw/zinc/97/00/76/344970076.db2.gz WNEPZZVOHGSPOV-WFASDCNBSA-N 0 3 248.370 3.310 20 0 BGADHN CCC(O)(CC)CN(C)C/C=C/c1ccccc1 ZINC000626109725 345253747 /nfs/dbraw/zinc/25/37/47/345253747.db2.gz YHXMVTPEIDFWNM-FMIVXFBMSA-N 0 3 247.382 3.183 20 0 BGADHN CCC(O)(CC)CN(C)C/C=C\c1ccccc1 ZINC000626109726 345253561 /nfs/dbraw/zinc/25/35/61/345253561.db2.gz YHXMVTPEIDFWNM-XFXZXTDPSA-N 0 3 247.382 3.183 20 0 BGADHN CCC(O)(CC)CN(C)Cc1csc(C)c1 ZINC000626112011 345277246 /nfs/dbraw/zinc/27/72/46/345277246.db2.gz JNJDKZPLZVFHSX-UHFFFAOYSA-N 0 3 241.400 3.039 20 0 BGADHN Cc1noc(C)c1CN1CCCC2(CC2)CC1 ZINC000626113373 345302532 /nfs/dbraw/zinc/30/25/32/345302532.db2.gz PPDCXAODBVSKJO-UHFFFAOYSA-N 0 3 234.343 3.058 20 0 BGADHN CC(C)n1ccc(CN2CCCC3(CC3)CC2)n1 ZINC000626113668 345306577 /nfs/dbraw/zinc/30/65/77/345306577.db2.gz BFNHMQARYAIRKW-UHFFFAOYSA-N 0 3 247.386 3.230 20 0 BGADHN Cc1csc(CN2CCCC3(CC3)CC2)n1 ZINC000626113821 345306564 /nfs/dbraw/zinc/30/65/64/345306564.db2.gz HSNPBPKLEJBAMG-UHFFFAOYSA-N 0 3 236.384 3.218 20 0 BGADHN Cc1ncc(CN2CCCC3(CC3)CC2)s1 ZINC000626113886 345307681 /nfs/dbraw/zinc/30/76/81/345307681.db2.gz KYIIXTZNHBKRQW-UHFFFAOYSA-N 0 3 236.384 3.218 20 0 BGADHN C[C@H](c1cccnc1)N1CCCC2(CC2)CC1 ZINC000626113908 345307773 /nfs/dbraw/zinc/30/77/73/345307773.db2.gz LOIFKISORNLSCP-CYBMUJFWSA-N 0 3 230.355 3.409 20 0 BGADHN C[C@@H](c1cccnc1)N1CCCC2(CC2)CC1 ZINC000626113909 345307718 /nfs/dbraw/zinc/30/77/18/345307718.db2.gz LOIFKISORNLSCP-ZDUSSCGKSA-N 0 3 230.355 3.409 20 0 BGADHN Cc1nc(CN2CCCC3(CC3)CC2)oc1C ZINC000626113938 345307707 /nfs/dbraw/zinc/30/77/07/345307707.db2.gz MUJHBONUEZTYQC-UHFFFAOYSA-N 0 3 234.343 3.058 20 0 BGADHN CCc1noc(C)c1CN1CCCC2(CC2)CC1 ZINC000626114104 345309281 /nfs/dbraw/zinc/30/92/81/345309281.db2.gz SUCKKXOVGWTTNX-UHFFFAOYSA-N 0 3 248.370 3.312 20 0 BGADHN C[C@H](c1ccncc1)N1CCCC2(CC2)CC1 ZINC000626114252 345309710 /nfs/dbraw/zinc/30/97/10/345309710.db2.gz YTYUEYINYBBBAY-CYBMUJFWSA-N 0 3 230.355 3.409 20 0 BGADHN C[C@@H](c1ccncc1)N1CCCC2(CC2)CC1 ZINC000626114253 345309672 /nfs/dbraw/zinc/30/96/72/345309672.db2.gz YTYUEYINYBBBAY-ZDUSSCGKSA-N 0 3 230.355 3.409 20 0 BGADHN Cc1cnc([C@@H](C)N2CCCC3(CC3)CC2)o1 ZINC000626114320 345316238 /nfs/dbraw/zinc/31/62/38/345316238.db2.gz BSZOYLZZVXTHQD-GFCCVEGCSA-N 0 3 234.343 3.310 20 0 BGADHN Cc1cnc([C@H](C)N2CCCC3(CC3)CC2)o1 ZINC000626114321 345316229 /nfs/dbraw/zinc/31/62/29/345316229.db2.gz BSZOYLZZVXTHQD-LBPRGKRZSA-N 0 3 234.343 3.310 20 0 BGADHN Cc1cnc(CN2CCCC3(CC3)CC2)s1 ZINC000626114597 345316172 /nfs/dbraw/zinc/31/61/72/345316172.db2.gz LROJUUFKFMQFJQ-UHFFFAOYSA-N 0 3 236.384 3.218 20 0 BGADHN Cc1ccncc1CN1CCCC2(CC2)CC1 ZINC000626114940 345322537 /nfs/dbraw/zinc/32/25/37/345322537.db2.gz ZSROHDCLRPCKLN-UHFFFAOYSA-N 0 3 230.355 3.156 20 0 BGADHN CCc1nc(C)c(CN2CCCC3(CC3)CC2)o1 ZINC000626114978 345325478 /nfs/dbraw/zinc/32/54/78/345325478.db2.gz BLIXQACCDNJIOW-UHFFFAOYSA-N 0 3 248.370 3.312 20 0 BGADHN Cc1ncccc1CN1CCCC2(CC2)CC1 ZINC000626114982 345326279 /nfs/dbraw/zinc/32/62/79/345326279.db2.gz BQHRVGJPMHLPKM-UHFFFAOYSA-N 0 3 230.355 3.156 20 0 BGADHN Cc1ccc(CN2CCCC3(CC3)CC2)c(C)n1 ZINC000626114989 345325897 /nfs/dbraw/zinc/32/58/97/345325897.db2.gz BVMLSTXHVUNGGI-UHFFFAOYSA-N 0 3 244.382 3.465 20 0 BGADHN Cc1ccc(CN2CCCC3(CC3)CC2)cn1 ZINC000626115085 345326394 /nfs/dbraw/zinc/32/63/94/345326394.db2.gz FRQXQRMSJXTEFA-UHFFFAOYSA-N 0 3 230.355 3.156 20 0 BGADHN c1c(CN2CCCC3(CC3)CC2)onc1C1CC1 ZINC000626115138 345328593 /nfs/dbraw/zinc/32/85/93/345328593.db2.gz HCJMDJYCBYKEPS-UHFFFAOYSA-N 0 3 246.354 3.318 20 0 BGADHN Cc1cnccc1CN1CCCC2(CC2)CC1 ZINC000626115183 345327948 /nfs/dbraw/zinc/32/79/48/345327948.db2.gz IXVWKEYRYREUHJ-UHFFFAOYSA-N 0 3 230.355 3.156 20 0 BGADHN Cc1cnc([C@@H](C)N2CCCC3(CC3)CC2)cn1 ZINC000626115261 384228600 /nfs/dbraw/zinc/22/86/00/384228600.db2.gz MRHMSBRPOAUWLD-CYBMUJFWSA-N 0 3 245.370 3.112 20 0 BGADHN Cc1cnc([C@H](C)N2CCCC3(CC3)CC2)cn1 ZINC000626115262 384227582 /nfs/dbraw/zinc/22/75/82/384227582.db2.gz MRHMSBRPOAUWLD-ZDUSSCGKSA-N 0 3 245.370 3.112 20 0 BGADHN CCc1nocc1CN1CCCC2(CC2)CC1 ZINC000626115331 345329654 /nfs/dbraw/zinc/32/96/54/345329654.db2.gz OYOFAKOQMYFUGZ-UHFFFAOYSA-N 0 3 234.343 3.003 20 0 BGADHN Cc1cc(CN2CCCC3(CC3)CC2)ccn1 ZINC000626115466 345333966 /nfs/dbraw/zinc/33/39/66/345333966.db2.gz UXYVZNWUYVVMSL-UHFFFAOYSA-N 0 3 230.355 3.156 20 0 BGADHN Cc1nc(C)c(CN2CCCC3(CC3)CC2)o1 ZINC000626115544 345334305 /nfs/dbraw/zinc/33/43/05/345334305.db2.gz XCZKXHBVHUNBEM-UHFFFAOYSA-N 0 3 234.343 3.058 20 0 BGADHN CC(C)n1nccc1CN1CCCC2(CC2)CC1 ZINC000626115562 345335475 /nfs/dbraw/zinc/33/54/75/345335475.db2.gz XQNVMLZTXJOVLC-UHFFFAOYSA-N 0 3 247.386 3.230 20 0 BGADHN Cc1nc(CN2CCCC3(CC3)CC2)c(C)o1 ZINC000626115625 345336839 /nfs/dbraw/zinc/33/68/39/345336839.db2.gz ZMKQOULCLRNUBZ-UHFFFAOYSA-N 0 3 234.343 3.058 20 0 BGADHN Cc1cncc(CN2CCCC3(CC3)CC2)c1 ZINC000626115636 345337132 /nfs/dbraw/zinc/33/71/32/345337132.db2.gz ZVZXTICUIRIPGE-UHFFFAOYSA-N 0 3 230.355 3.156 20 0 BGADHN C/C=C\C[C@@H]1CCCN(Cc2cc(C)no2)C1 ZINC000626160968 346269405 /nfs/dbraw/zinc/26/94/05/346269405.db2.gz UQTQLCLKSJPYEC-DHCBQETCSA-N 0 3 234.343 3.161 20 0 BGADHN C/C=C/C[C@@H]1CCCN(Cc2cc(C)no2)C1 ZINC000626160969 346269312 /nfs/dbraw/zinc/26/93/12/346269312.db2.gz UQTQLCLKSJPYEC-ITDFMYJTSA-N 0 3 234.343 3.161 20 0 BGADHN C/C=C/C[C@H]1CCCN(Cc2cc(C)no2)C1 ZINC000626160970 346269251 /nfs/dbraw/zinc/26/92/51/346269251.db2.gz UQTQLCLKSJPYEC-OOPCZODUSA-N 0 3 234.343 3.161 20 0 BGADHN C/C=C\C[C@H]1CCCN(Cc2cc(C)no2)C1 ZINC000626160971 346269898 /nfs/dbraw/zinc/26/98/98/346269898.db2.gz UQTQLCLKSJPYEC-SCOBNMCVSA-N 0 3 234.343 3.161 20 0 BGADHN C/C=C/C[C@@H]1CCCN(Cc2c(C)noc2C)C1 ZINC000626161201 346269307 /nfs/dbraw/zinc/26/93/07/346269307.db2.gz ZVYQPNZATKSEKC-ISZGNANSSA-N 0 3 248.370 3.470 20 0 BGADHN C/C=C/C[C@H]1CCCN(Cc2c(C)noc2C)C1 ZINC000626161202 346269298 /nfs/dbraw/zinc/26/92/98/346269298.db2.gz ZVYQPNZATKSEKC-NNTXTVRGSA-N 0 3 248.370 3.470 20 0 BGADHN C/C=C\C[C@H]1CCCN(Cc2c(C)noc2C)C1 ZINC000626161203 346269580 /nfs/dbraw/zinc/26/95/80/346269580.db2.gz ZVYQPNZATKSEKC-WSNITJDQSA-N 0 3 248.370 3.470 20 0 BGADHN C/C=C\C[C@@H]1CCCN(Cc2c(C)noc2C)C1 ZINC000626161204 346269832 /nfs/dbraw/zinc/26/98/32/346269832.db2.gz ZVYQPNZATKSEKC-ZRUQZJFASA-N 0 3 248.370 3.470 20 0 BGADHN C/C=C/C[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000626161320 346270734 /nfs/dbraw/zinc/27/07/34/346270734.db2.gz BEXXMOLIZPBLLV-BAABZTOOSA-N 0 3 230.355 3.260 20 0 BGADHN C/C=C/C[C@H]1CCCN(Cc2cccnc2)C1 ZINC000626161321 346270000 /nfs/dbraw/zinc/27/00/00/346270000.db2.gz BEXXMOLIZPBLLV-HSWBROFVSA-N 0 3 230.355 3.260 20 0 BGADHN C/C=C\C[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000626161322 346270472 /nfs/dbraw/zinc/27/04/72/346270472.db2.gz BEXXMOLIZPBLLV-PYLYLYNFSA-N 0 3 230.355 3.260 20 0 BGADHN C/C=C\C[C@H]1CCCN(Cc2cccnc2)C1 ZINC000626161323 346270459 /nfs/dbraw/zinc/27/04/59/346270459.db2.gz BEXXMOLIZPBLLV-SFAKSCPVSA-N 0 3 230.355 3.260 20 0 BGADHN C/C=C/C[C@@H]1CCCN(Cc2ccccn2)C1 ZINC000626162081 346272578 /nfs/dbraw/zinc/27/25/78/346272578.db2.gz NYDWWOVSFDBUBG-BAABZTOOSA-N 0 3 230.355 3.260 20 0 BGADHN C/C=C/C[C@H]1CCCN(Cc2ccccn2)C1 ZINC000626162082 346272152 /nfs/dbraw/zinc/27/21/52/346272152.db2.gz NYDWWOVSFDBUBG-HSWBROFVSA-N 0 3 230.355 3.260 20 0 BGADHN C/C=C\C[C@@H]1CCCN(Cc2ccccn2)C1 ZINC000626162083 346272470 /nfs/dbraw/zinc/27/24/70/346272470.db2.gz NYDWWOVSFDBUBG-PYLYLYNFSA-N 0 3 230.355 3.260 20 0 BGADHN C/C=C\C[C@H]1CCCN(Cc2ccccn2)C1 ZINC000626162084 346272643 /nfs/dbraw/zinc/27/26/43/346272643.db2.gz NYDWWOVSFDBUBG-SFAKSCPVSA-N 0 3 230.355 3.260 20 0 BGADHN C/C=C/C[C@@H]1CCCN(Cc2ccncc2)C1 ZINC000626162396 346273370 /nfs/dbraw/zinc/27/33/70/346273370.db2.gz TVQQGZTVTDDZQC-BAABZTOOSA-N 0 3 230.355 3.260 20 0 BGADHN C/C=C/C[C@H]1CCCN(Cc2ccncc2)C1 ZINC000626162397 346272814 /nfs/dbraw/zinc/27/28/14/346272814.db2.gz TVQQGZTVTDDZQC-HSWBROFVSA-N 0 3 230.355 3.260 20 0 BGADHN C/C=C\C[C@@H]1CCCN(Cc2ccncc2)C1 ZINC000626162398 346272999 /nfs/dbraw/zinc/27/29/99/346272999.db2.gz TVQQGZTVTDDZQC-PYLYLYNFSA-N 0 3 230.355 3.260 20 0 BGADHN C/C=C\C[C@H]1CCCN(Cc2ccncc2)C1 ZINC000626162399 346273291 /nfs/dbraw/zinc/27/32/91/346273291.db2.gz TVQQGZTVTDDZQC-SFAKSCPVSA-N 0 3 230.355 3.260 20 0 BGADHN C/C=C\C[C@@H]1CCCN([C@H](C)c2cnccn2)C1 ZINC000626162969 346274407 /nfs/dbraw/zinc/27/44/07/346274407.db2.gz BOALERPUYVNYRX-JHZNUDOXSA-N 0 3 245.370 3.216 20 0 BGADHN C/C=C\C[C@@H]1CCCN([C@@H](C)c2cnccn2)C1 ZINC000626162970 346274498 /nfs/dbraw/zinc/27/44/98/346274498.db2.gz BOALERPUYVNYRX-KBIGUFJUSA-N 0 3 245.370 3.216 20 0 BGADHN C/C=C/C[C@@H]1CCCN([C@H](C)c2cnccn2)C1 ZINC000626162971 346274003 /nfs/dbraw/zinc/27/40/03/346274003.db2.gz BOALERPUYVNYRX-LSMGEYOZSA-N 0 3 245.370 3.216 20 0 BGADHN C/C=C/C[C@@H]1CCCN([C@@H](C)c2cnccn2)C1 ZINC000626162972 346274515 /nfs/dbraw/zinc/27/45/15/346274515.db2.gz BOALERPUYVNYRX-PUWCWTCHSA-N 0 3 245.370 3.216 20 0 BGADHN C/C=C\C[C@@H]1CCCN(Cc2conc2C)C1 ZINC000626163175 346275356 /nfs/dbraw/zinc/27/53/56/346275356.db2.gz GJWRDFQMPKWZAJ-DHCBQETCSA-N 0 3 234.343 3.161 20 0 BGADHN C/C=C/C[C@@H]1CCCN(Cc2conc2C)C1 ZINC000626163176 346275318 /nfs/dbraw/zinc/27/53/18/346275318.db2.gz GJWRDFQMPKWZAJ-ITDFMYJTSA-N 0 3 234.343 3.161 20 0 BGADHN C/C=C/C[C@H]1CCCN(Cc2conc2C)C1 ZINC000626163177 346274908 /nfs/dbraw/zinc/27/49/08/346274908.db2.gz GJWRDFQMPKWZAJ-OOPCZODUSA-N 0 3 234.343 3.161 20 0 BGADHN C/C=C\C[C@H]1CCCN(Cc2conc2C)C1 ZINC000626163178 346275505 /nfs/dbraw/zinc/27/55/05/346275505.db2.gz GJWRDFQMPKWZAJ-SCOBNMCVSA-N 0 3 234.343 3.161 20 0 BGADHN C/C=C/C[C@H]1CCCN(Cc2cncc(F)c2)C1 ZINC000626163213 346274947 /nfs/dbraw/zinc/27/49/47/346274947.db2.gz GUPYQJBFBWLOPA-IBUXWKBASA-N 0 3 248.345 3.399 20 0 BGADHN C/C=C\C[C@@H]1CCCN(Cc2cncc(F)c2)C1 ZINC000626163214 346275392 /nfs/dbraw/zinc/27/53/92/346275392.db2.gz GUPYQJBFBWLOPA-XQJDBVBESA-N 0 3 248.345 3.399 20 0 BGADHN C/C=C/C[C@@H]1CCCN(Cc2cncc(F)c2)C1 ZINC000626163215 346275399 /nfs/dbraw/zinc/27/53/99/346275399.db2.gz GUPYQJBFBWLOPA-YWVDXFKGSA-N 0 3 248.345 3.399 20 0 BGADHN C/C=C\C[C@H]1CCCN(Cc2cncc(F)c2)C1 ZINC000626163216 346275311 /nfs/dbraw/zinc/27/53/11/346275311.db2.gz GUPYQJBFBWLOPA-ZRMMWKCHSA-N 0 3 248.345 3.399 20 0 BGADHN C/C=C\C[C@H]1CCCN(Cc2conc2CC)C1 ZINC000626163245 346275255 /nfs/dbraw/zinc/27/52/55/346275255.db2.gz HIQXXFPGIRTDLJ-DXTPNHAXSA-N 0 3 248.370 3.415 20 0 BGADHN C/C=C\C[C@@H]1CCCN(Cc2conc2CC)C1 ZINC000626163246 346274897 /nfs/dbraw/zinc/27/48/97/346274897.db2.gz HIQXXFPGIRTDLJ-HSBHDXMMSA-N 0 3 248.370 3.415 20 0 BGADHN C/C=C/C[C@H]1CCCN(Cc2conc2CC)C1 ZINC000626163247 346275183 /nfs/dbraw/zinc/27/51/83/346275183.db2.gz HIQXXFPGIRTDLJ-LQPUYASZSA-N 0 3 248.370 3.415 20 0 BGADHN C/C=C/C[C@@H]1CCCN(Cc2conc2CC)C1 ZINC000626163248 346274866 /nfs/dbraw/zinc/27/48/66/346274866.db2.gz HIQXXFPGIRTDLJ-MASHWEEQSA-N 0 3 248.370 3.415 20 0 BGADHN C/C=C/C[C@@H]1CCCN(Cc2oc(C)nc2C)C1 ZINC000626163434 346274931 /nfs/dbraw/zinc/27/49/31/346274931.db2.gz KHOQGRSDVPLTET-ISZGNANSSA-N 0 3 248.370 3.470 20 0 BGADHN C/C=C/C[C@H]1CCCN(Cc2oc(C)nc2C)C1 ZINC000626163435 346275221 /nfs/dbraw/zinc/27/52/21/346275221.db2.gz KHOQGRSDVPLTET-NNTXTVRGSA-N 0 3 248.370 3.470 20 0 BGADHN C/C=C\C[C@H]1CCCN(Cc2oc(C)nc2C)C1 ZINC000626163436 346275333 /nfs/dbraw/zinc/27/53/33/346275333.db2.gz KHOQGRSDVPLTET-WSNITJDQSA-N 0 3 248.370 3.470 20 0 BGADHN C/C=C\C[C@@H]1CCCN(Cc2oc(C)nc2C)C1 ZINC000626163437 346274830 /nfs/dbraw/zinc/27/48/30/346274830.db2.gz KHOQGRSDVPLTET-ZRUQZJFASA-N 0 3 248.370 3.470 20 0 BGADHN C/C=C/C[C@H]1CCCN(Cc2cnn(CC)c2)C1 ZINC000626164672 346271426 /nfs/dbraw/zinc/27/14/26/346271426.db2.gz NFRIMWZZPXEKOZ-KQIUPUNMSA-N 0 3 247.386 3.081 20 0 BGADHN C/C=C/C[C@@H]1CCCN(Cc2cnn(CC)c2)C1 ZINC000626164673 346271463 /nfs/dbraw/zinc/27/14/63/346271463.db2.gz NFRIMWZZPXEKOZ-LYKUJDHUSA-N 0 3 247.386 3.081 20 0 BGADHN C/C=C\C[C@H]1CCCN(Cc2cnn(CC)c2)C1 ZINC000626164674 346271717 /nfs/dbraw/zinc/27/17/17/346271717.db2.gz NFRIMWZZPXEKOZ-MFBWXBCUSA-N 0 3 247.386 3.081 20 0 BGADHN C/C=C\C[C@@H]1CCCN(Cc2cnn(CC)c2)C1 ZINC000626164675 346271770 /nfs/dbraw/zinc/27/17/70/346271770.db2.gz NFRIMWZZPXEKOZ-PKXJPQMGSA-N 0 3 247.386 3.081 20 0 BGADHN C/C=C\C[C@H]1CCCN(Cc2cncs2)C1 ZINC000626164827 346272006 /nfs/dbraw/zinc/27/20/06/346272006.db2.gz RQMLIYJRDDTXFP-DLGQBQFBSA-N 0 3 236.384 3.321 20 0 BGADHN C/C=C/C[C@H]1CCCN(Cc2cncs2)C1 ZINC000626164828 346271978 /nfs/dbraw/zinc/27/19/78/346271978.db2.gz RQMLIYJRDDTXFP-JDGPPOGSSA-N 0 3 236.384 3.321 20 0 BGADHN C/C=C/C[C@@H]1CCCN(Cc2cncs2)C1 ZINC000626164829 346272083 /nfs/dbraw/zinc/27/20/83/346272083.db2.gz RQMLIYJRDDTXFP-QAVQXKDTSA-N 0 3 236.384 3.321 20 0 BGADHN C/C=C\C[C@@H]1CCCN(Cc2cncs2)C1 ZINC000626164830 346272630 /nfs/dbraw/zinc/27/26/30/346272630.db2.gz RQMLIYJRDDTXFP-ZZKXABKFSA-N 0 3 236.384 3.321 20 0 BGADHN CCCNC1(c2c(F)cccc2F)CCC1 ZINC000626178440 346858229 /nfs/dbraw/zinc/85/82/29/346858229.db2.gz UPOWXVBDNWKPCO-UHFFFAOYSA-N 0 3 225.282 3.344 20 0 BGADHN FCCCNC1(c2c(F)cccc2F)CCC1 ZINC000626178574 346858202 /nfs/dbraw/zinc/85/82/02/346858202.db2.gz ZIXQQNDBRGKFHB-UHFFFAOYSA-N 0 3 243.272 3.293 20 0 BGADHN CCCN(Cc1cnc(C2CC2)o1)CC1CC1 ZINC000628117249 343966316 /nfs/dbraw/zinc/96/63/16/343966316.db2.gz ZKUROSCEHKFDBN-UHFFFAOYSA-N 0 3 234.343 3.174 20 0 BGADHN CCN(Cc1nc(C)c(C)[nH]1)C1CCCCC1 ZINC000628118018 343967328 /nfs/dbraw/zinc/96/73/28/343967328.db2.gz DBPOKXMLJUNQPO-UHFFFAOYSA-N 0 3 235.375 3.181 20 0 BGADHN CCCN(CCC)Cc1cnc(C2CC2)o1 ZINC000628118719 343969287 /nfs/dbraw/zinc/96/92/87/343969287.db2.gz GWJONPBQWLICJU-UHFFFAOYSA-N 0 3 222.332 3.174 20 0 BGADHN Cc1nc(CN(CC(C)C)CC(C)C)[nH]c1C ZINC000628118757 343969247 /nfs/dbraw/zinc/96/92/47/343969247.db2.gz IXDBOVXSDZEJEL-UHFFFAOYSA-N 0 3 237.391 3.141 20 0 BGADHN CCCCN(CCCC)Cc1cnc(C)o1 ZINC000628118759 343969187 /nfs/dbraw/zinc/96/91/87/343969187.db2.gz IYSCEKVCLIKTFW-UHFFFAOYSA-N 0 3 224.348 3.385 20 0 BGADHN CN(Cc1cnc(C2CC2)o1)C1CCCCC1 ZINC000628118770 343969594 /nfs/dbraw/zinc/96/95/94/343969594.db2.gz JTMJGLNCSJWOQF-UHFFFAOYSA-N 0 3 234.343 3.317 20 0 BGADHN CCN(Cc1cnc(C)o1)C1CCCCC1 ZINC000628118778 343969457 /nfs/dbraw/zinc/96/94/57/343969457.db2.gz KHMQDVZAOCHDRK-UHFFFAOYSA-N 0 3 222.332 3.138 20 0 BGADHN CC[C@@H]1CCCCN1Cc1cnc(C2CC2)o1 ZINC000628118804 343969323 /nfs/dbraw/zinc/96/93/23/343969323.db2.gz LOILTCBXINBCTK-GFCCVEGCSA-N 0 3 234.343 3.317 20 0 BGADHN CC[C@H]1CCCCN1Cc1cnc(C2CC2)o1 ZINC000628118805 343969094 /nfs/dbraw/zinc/96/90/94/343969094.db2.gz LOILTCBXINBCTK-LBPRGKRZSA-N 0 3 234.343 3.317 20 0 BGADHN C[C@@H]1C[C@@H](C)CN(Cc2cnc(C3CC3)o2)C1 ZINC000628118857 343969344 /nfs/dbraw/zinc/96/93/44/343969344.db2.gz NTZUANYZLYWAJL-GHMZBOCLSA-N 0 3 234.343 3.030 20 0 BGADHN C[C@@H]1C[C@H](C)CN(Cc2cnc(C3CC3)o2)C1 ZINC000628118858 343969193 /nfs/dbraw/zinc/96/91/93/343969193.db2.gz NTZUANYZLYWAJL-PHIMTYICSA-N 0 3 234.343 3.030 20 0 BGADHN C[C@H]1C[C@H](C)CN(Cc2cnc(C3CC3)o2)C1 ZINC000628118859 343969494 /nfs/dbraw/zinc/96/94/94/343969494.db2.gz NTZUANYZLYWAJL-QWRGUYRKSA-N 0 3 234.343 3.030 20 0 BGADHN Cc1c[nH]c(CN(C(C)C)C2CCCCC2)n1 ZINC000628119119 343970476 /nfs/dbraw/zinc/97/04/76/343970476.db2.gz CAMSQXJPJWTLNE-UHFFFAOYSA-N 0 3 235.375 3.261 20 0 BGADHN CCCCN(CC)Cc1cnc(C2CC2)o1 ZINC000628119387 343970781 /nfs/dbraw/zinc/97/07/81/343970781.db2.gz PLPSAFJXJCSVJK-UHFFFAOYSA-N 0 3 222.332 3.174 20 0 BGADHN Cc1ccc(CN(C)C[C@@]2(C)CCCS2)o1 ZINC000628119696 343968098 /nfs/dbraw/zinc/96/80/98/343968098.db2.gz HCKXUAFRHVFCHZ-CYBMUJFWSA-N 0 3 239.384 3.306 20 0 BGADHN Cc1ccc(CN(C)C[C@]2(C)CCCS2)o1 ZINC000628119697 343968048 /nfs/dbraw/zinc/96/80/48/343968048.db2.gz HCKXUAFRHVFCHZ-ZDUSSCGKSA-N 0 3 239.384 3.306 20 0 BGADHN CC[C@@H]1CCCC[C@H]1CN(C)Cc1cnn(C)c1 ZINC000628121866 384188317 /nfs/dbraw/zinc/18/83/17/384188317.db2.gz ZIFDLKVWWHAXJA-CABCVRRESA-N 0 3 249.402 3.068 20 0 BGADHN CC[C@H]1CCCC[C@H]1CN(C)Cc1cnn(C)c1 ZINC000628121867 384188626 /nfs/dbraw/zinc/18/86/26/384188626.db2.gz ZIFDLKVWWHAXJA-GJZGRUSLSA-N 0 3 249.402 3.068 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1CN(C)Cc1cnn(C)c1 ZINC000628121868 384189400 /nfs/dbraw/zinc/18/94/00/384189400.db2.gz ZIFDLKVWWHAXJA-HUUCEWRRSA-N 0 3 249.402 3.068 20 0 BGADHN CC[C@H]1CCCC[C@@H]1CN(C)Cc1cnn(C)c1 ZINC000628121869 384188491 /nfs/dbraw/zinc/18/84/91/384188491.db2.gz ZIFDLKVWWHAXJA-LSDHHAIUSA-N 0 3 249.402 3.068 20 0 BGADHN CN(Cc1ccsc1)C[C@@]1(C)CCCS1 ZINC000628122736 343975472 /nfs/dbraw/zinc/97/54/72/343975472.db2.gz KPLACENYGGSGEN-GFCCVEGCSA-N 0 3 241.425 3.466 20 0 BGADHN CN(Cc1ccsc1)C[C@]1(C)CCCS1 ZINC000628122737 343975463 /nfs/dbraw/zinc/97/54/63/343975463.db2.gz KPLACENYGGSGEN-LBPRGKRZSA-N 0 3 241.425 3.466 20 0 BGADHN Cc1ncc(CN(C)C2CCCCCC2)o1 ZINC000628125156 344154836 /nfs/dbraw/zinc/15/48/36/344154836.db2.gz NAGSCYNUTSOFAU-UHFFFAOYSA-N 0 3 222.332 3.138 20 0 BGADHN Cc1ncc(CN2CCC[C@H]2c2ccccc2)o1 ZINC000628127049 344156293 /nfs/dbraw/zinc/15/62/93/344156293.db2.gz RUDSEQQADMBJMK-HNNXBMFYSA-N 0 3 242.322 3.320 20 0 BGADHN Cc1ncc(CN2CCC[C@@H]2c2ccccc2)o1 ZINC000628127050 344156407 /nfs/dbraw/zinc/15/64/07/344156407.db2.gz RUDSEQQADMBJMK-OAHLLOKOSA-N 0 3 242.322 3.320 20 0 BGADHN Cc1ccc([C@H](C)CN2CCSCC2)cc1 ZINC000628129698 344157719 /nfs/dbraw/zinc/15/77/19/344157719.db2.gz PWZUGQLNTBIGHK-CYBMUJFWSA-N 0 3 235.396 3.147 20 0 BGADHN Cc1ccc([C@@H](C)CN2CCSCC2)cc1 ZINC000628129699 344157756 /nfs/dbraw/zinc/15/77/56/344157756.db2.gz PWZUGQLNTBIGHK-ZDUSSCGKSA-N 0 3 235.396 3.147 20 0 BGADHN CCC(CC)N(Cc1cnc(C)o1)C1CC1 ZINC000628130766 344160558 /nfs/dbraw/zinc/16/05/58/344160558.db2.gz JQNRZVXNOFFZBO-UHFFFAOYSA-N 0 3 222.332 3.136 20 0 BGADHN c1nc(C2CC2)oc1CN(C1CC1)C1CCCC1 ZINC000628131314 344158472 /nfs/dbraw/zinc/15/84/72/344158472.db2.gz WKQQCTYUBVKXLP-UHFFFAOYSA-N 0 3 246.354 3.459 20 0 BGADHN CCC1CCC(N(C)Cc2cnc(C)o2)CC1 ZINC000628132102 344159243 /nfs/dbraw/zinc/15/92/43/344159243.db2.gz VURCXWNIWRMBJU-UHFFFAOYSA-N 0 3 236.359 3.384 20 0 BGADHN CC(C)[C@H](C)N(C)Cc1cnc(C2CC2)o1 ZINC000628132588 344168661 /nfs/dbraw/zinc/16/86/61/344168661.db2.gz JIAJLVPFXQOSFJ-JTQLQIEISA-N 0 3 222.332 3.028 20 0 BGADHN CC(C)[C@@H](C)N(C)Cc1cnc(C2CC2)o1 ZINC000628132589 344168714 /nfs/dbraw/zinc/16/87/14/344168714.db2.gz JIAJLVPFXQOSFJ-SNVBAGLBSA-N 0 3 222.332 3.028 20 0 BGADHN CC(C)CCN(C)Cc1cnc(C2CC2)o1 ZINC000628132692 344169054 /nfs/dbraw/zinc/16/90/54/344169054.db2.gz MIVXVSQPGNANRR-UHFFFAOYSA-N 0 3 222.332 3.030 20 0 BGADHN CCCCN(Cc1cnc(C2CC2)o1)C1CC1 ZINC000628133919 344172589 /nfs/dbraw/zinc/17/25/89/344172589.db2.gz VXUTWABWFBXTLE-UHFFFAOYSA-N 0 3 234.343 3.317 20 0 BGADHN CC(C)[C@H]1CCCN1Cc1cnc(C2CC2)o1 ZINC000628134105 344188012 /nfs/dbraw/zinc/18/80/12/344188012.db2.gz FNSIIOKGCHTBQL-CYBMUJFWSA-N 0 3 234.343 3.172 20 0 BGADHN CC(C)[C@@H]1CCCN1Cc1cnc(C2CC2)o1 ZINC000628134106 344187939 /nfs/dbraw/zinc/18/79/39/344187939.db2.gz FNSIIOKGCHTBQL-ZDUSSCGKSA-N 0 3 234.343 3.172 20 0 BGADHN Cc1nc(CN2CCC[C@@H]2CC(C)C)[nH]c1C ZINC000628134107 344187979 /nfs/dbraw/zinc/18/79/79/344187979.db2.gz FOJMTUWCLHUNKL-CYBMUJFWSA-N 0 3 235.375 3.037 20 0 BGADHN Cc1nc(CN2CCC[C@H]2CC(C)C)[nH]c1C ZINC000628134108 344188144 /nfs/dbraw/zinc/18/81/44/344188144.db2.gz FOJMTUWCLHUNKL-ZDUSSCGKSA-N 0 3 235.375 3.037 20 0 BGADHN CCN(Cc1cnc(C2CC2)o1)C1CCCC1 ZINC000628134827 344192691 /nfs/dbraw/zinc/19/26/91/344192691.db2.gz DMQHCHIHBWVTDO-UHFFFAOYSA-N 0 3 234.343 3.317 20 0 BGADHN Cc1c[nH]c(CN2CCC[C@H]2C2CCCCC2)n1 ZINC000628134848 344192480 /nfs/dbraw/zinc/19/24/80/344192480.db2.gz FAHYGPWMTPXBJY-AWEZNQCLSA-N 0 3 247.386 3.263 20 0 BGADHN Cc1c[nH]c(CN2CCC[C@@H]2C2CCCCC2)n1 ZINC000628134849 344192850 /nfs/dbraw/zinc/19/28/50/344192850.db2.gz FAHYGPWMTPXBJY-CQSZACIVSA-N 0 3 247.386 3.263 20 0 BGADHN CCN(CCc1ccccc1)Cc1cnc(C)o1 ZINC000628134873 344192151 /nfs/dbraw/zinc/19/21/51/344192151.db2.gz FXMBCOFJWCFZRC-UHFFFAOYSA-N 0 3 244.338 3.048 20 0 BGADHN CCN(Cc1cnc(C2CC2)o1)CC(C)C ZINC000628135507 344194401 /nfs/dbraw/zinc/19/44/01/344194401.db2.gz YURNIZGJZAHRNX-UHFFFAOYSA-N 0 3 222.332 3.030 20 0 BGADHN CCC[C@H](C)N(C)Cc1cnc(C2CC2)o1 ZINC000628135683 344199319 /nfs/dbraw/zinc/19/93/19/344199319.db2.gz FFQWOJVZGIBYJJ-JTQLQIEISA-N 0 3 222.332 3.172 20 0 BGADHN CCC[C@@H](C)N(C)Cc1cnc(C2CC2)o1 ZINC000628135684 344199532 /nfs/dbraw/zinc/19/95/32/344199532.db2.gz FFQWOJVZGIBYJJ-SNVBAGLBSA-N 0 3 222.332 3.172 20 0 BGADHN CCCCCN(Cc1cnc(C)o1)C(C)C ZINC000628136034 537972497 /nfs/dbraw/zinc/97/24/97/537972497.db2.gz OXERQXVNCUDIDY-UHFFFAOYSA-N 0 3 224.348 3.384 20 0 BGADHN Cc1ncc(CN(C)CCCc2ccccc2)o1 ZINC000628136274 344204336 /nfs/dbraw/zinc/20/43/36/344204336.db2.gz WMOILKWTIIABJA-UHFFFAOYSA-N 0 3 244.338 3.048 20 0 BGADHN Cc1ncc(CN(C2CC2)C2CCCCC2)o1 ZINC000628136288 344204235 /nfs/dbraw/zinc/20/42/35/344204235.db2.gz WTEKBNDJGMHJEF-UHFFFAOYSA-N 0 3 234.343 3.280 20 0 BGADHN CCC(CC)CN(CC)Cc1cnc(C)o1 ZINC000628139289 344801374 /nfs/dbraw/zinc/80/13/74/344801374.db2.gz AGCHUDGTJPDXMG-UHFFFAOYSA-N 0 3 224.348 3.241 20 0 BGADHN CCCN(Cc1cnc(C2CC2)o1)CC(C)C ZINC000628140058 344802175 /nfs/dbraw/zinc/80/21/75/344802175.db2.gz YUPBVCHXXSPFBS-UHFFFAOYSA-N 0 3 236.359 3.420 20 0 BGADHN C[C@@H](C1CC1)N(Cc1cnc(C2CC2)o1)C1CC1 ZINC000628140240 344805501 /nfs/dbraw/zinc/80/55/01/344805501.db2.gz DKMABBIEJMUBBB-JTQLQIEISA-N 0 3 246.354 3.315 20 0 BGADHN C[C@H](C1CC1)N(Cc1cnc(C2CC2)o1)C1CC1 ZINC000628140241 344805567 /nfs/dbraw/zinc/80/55/67/344805567.db2.gz DKMABBIEJMUBBB-SNVBAGLBSA-N 0 3 246.354 3.315 20 0 BGADHN CC(C)CN(Cc1cnc(C2CC2)o1)C1CC1 ZINC000628140505 344805721 /nfs/dbraw/zinc/80/57/21/344805721.db2.gz NKFHNUKTDTUOGN-UHFFFAOYSA-N 0 3 234.343 3.172 20 0 BGADHN C[C@H](N(C)Cc1cnc(C2CC2)o1)C(C)(C)C ZINC000628140643 344803117 /nfs/dbraw/zinc/80/31/17/344803117.db2.gz SFJFCBWVLZTQDP-JTQLQIEISA-N 0 3 236.359 3.418 20 0 BGADHN C[C@@H](N(C)Cc1cnc(C2CC2)o1)C(C)(C)C ZINC000628140644 344803168 /nfs/dbraw/zinc/80/31/68/344803168.db2.gz SFJFCBWVLZTQDP-SNVBAGLBSA-N 0 3 236.359 3.418 20 0 BGADHN Cc1c[nH]c(CN(CC(C)C)C2CCCC2)n1 ZINC000628142364 344808498 /nfs/dbraw/zinc/80/84/98/344808498.db2.gz ABFNTYFTKQUIDC-UHFFFAOYSA-N 0 3 235.375 3.119 20 0 BGADHN Cc1nc(CN(CC(C)C)C2CCCC2)[nH]c1C ZINC000628142548 344809005 /nfs/dbraw/zinc/80/90/05/344809005.db2.gz IDPHZDWYEAZSMV-UHFFFAOYSA-N 0 3 249.402 3.427 20 0 BGADHN CC(C)N(Cc1cnc(C2CC2)o1)CC1CC1 ZINC000628142796 344809102 /nfs/dbraw/zinc/80/91/02/344809102.db2.gz PRKXFCBQGTXGJO-UHFFFAOYSA-N 0 3 234.343 3.172 20 0 BGADHN CC(C)CN(Cc1cnc(C2CC2)o1)C(C)C ZINC000628144176 344816425 /nfs/dbraw/zinc/81/64/25/344816425.db2.gz SCGXGKHCEIRXHS-UHFFFAOYSA-N 0 3 236.359 3.418 20 0 BGADHN CC[C@H](C)CN(C)Cc1cnc(C2CC2)o1 ZINC000628144253 344816327 /nfs/dbraw/zinc/81/63/27/344816327.db2.gz VZJVITNXBSSKIG-JTQLQIEISA-N 0 3 222.332 3.030 20 0 BGADHN CC[C@@H](C)CN(C)Cc1cnc(C2CC2)o1 ZINC000628144254 344816295 /nfs/dbraw/zinc/81/62/95/344816295.db2.gz VZJVITNXBSSKIG-SNVBAGLBSA-N 0 3 222.332 3.030 20 0 BGADHN CC[C@@H]1CCCN(Cc2cnc(C3CC3)o2)C1 ZINC000628145919 344821375 /nfs/dbraw/zinc/82/13/75/344821375.db2.gz ZBJHOSFAYSKXSS-LLVKDONJSA-N 0 3 234.343 3.174 20 0 BGADHN CC[C@H]1CCCN(Cc2cnc(C3CC3)o2)C1 ZINC000628145920 344821423 /nfs/dbraw/zinc/82/14/23/344821423.db2.gz ZBJHOSFAYSKXSS-NSHDSACASA-N 0 3 234.343 3.174 20 0 BGADHN CN(Cc1cnc(C2CC2)o1)CC(C)(C)C ZINC000628150547 344838776 /nfs/dbraw/zinc/83/87/76/344838776.db2.gz XAELCCRFJMZTOJ-UHFFFAOYSA-N 0 3 222.332 3.030 20 0 BGADHN Cc1nc(CN2CCC[C@H]2C2CCCC2)[nH]c1C ZINC000628152903 344841698 /nfs/dbraw/zinc/84/16/98/344841698.db2.gz SGSYNJMFVVHGLO-AWEZNQCLSA-N 0 3 247.386 3.181 20 0 BGADHN Cc1nc(CN2CCC[C@@H]2C2CCCC2)[nH]c1C ZINC000628152904 344841635 /nfs/dbraw/zinc/84/16/35/344841635.db2.gz SGSYNJMFVVHGLO-CQSZACIVSA-N 0 3 247.386 3.181 20 0 BGADHN Cc1occc1CN(C)C[C@@]1(C)CCCS1 ZINC000628153523 344843777 /nfs/dbraw/zinc/84/37/77/344843777.db2.gz TWVMCPAKKSDPMS-CYBMUJFWSA-N 0 3 239.384 3.306 20 0 BGADHN Cc1occc1CN(C)C[C@]1(C)CCCS1 ZINC000628153524 344843496 /nfs/dbraw/zinc/84/34/96/344843496.db2.gz TWVMCPAKKSDPMS-ZDUSSCGKSA-N 0 3 239.384 3.306 20 0 BGADHN c1nc(C2CC2)oc1CN1CCC[C@H]2CCC[C@H]21 ZINC000628154624 344844481 /nfs/dbraw/zinc/84/44/81/344844481.db2.gz BZFHFRKQDFHCNY-BXUZGUMPSA-N 0 3 246.354 3.317 20 0 BGADHN c1nc(C2CC2)oc1CN1CCC[C@@H]2CCC[C@@H]21 ZINC000628154625 344844518 /nfs/dbraw/zinc/84/45/18/344844518.db2.gz BZFHFRKQDFHCNY-FZMZJTMJSA-N 0 3 246.354 3.317 20 0 BGADHN c1nc(C2CC2)oc1CN1CCC[C@H]2CCC[C@@H]21 ZINC000628154626 344844542 /nfs/dbraw/zinc/84/45/42/344844542.db2.gz BZFHFRKQDFHCNY-RISCZKNCSA-N 0 3 246.354 3.317 20 0 BGADHN c1nc(C2CC2)oc1CN1CCC[C@@H]2CCC[C@H]21 ZINC000628154627 344844495 /nfs/dbraw/zinc/84/44/95/344844495.db2.gz BZFHFRKQDFHCNY-SMDDNHRTSA-N 0 3 246.354 3.317 20 0 BGADHN CC[C@H]1CCCC[C@H]1CN(C)Cc1cnccn1 ZINC000628156374 344848475 /nfs/dbraw/zinc/84/84/75/344848475.db2.gz MQXLVNIVTPHTMH-KBPBESRZSA-N 0 3 247.386 3.125 20 0 BGADHN CC[C@@H]1CCCC[C@H]1CN(C)Cc1cnccn1 ZINC000628156375 344848292 /nfs/dbraw/zinc/84/82/92/344848292.db2.gz MQXLVNIVTPHTMH-KGLIPLIRSA-N 0 3 247.386 3.125 20 0 BGADHN CC[C@H]1CCCC[C@@H]1CN(C)Cc1cnccn1 ZINC000628156376 344848314 /nfs/dbraw/zinc/84/83/14/344848314.db2.gz MQXLVNIVTPHTMH-UONOGXRCSA-N 0 3 247.386 3.125 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1CN(C)Cc1cnccn1 ZINC000628156377 344848542 /nfs/dbraw/zinc/84/85/42/344848542.db2.gz MQXLVNIVTPHTMH-ZIAGYGMSSA-N 0 3 247.386 3.125 20 0 BGADHN CCOCCN(CC)Cc1ccc2cc[nH]c2c1 ZINC000628156413 344848701 /nfs/dbraw/zinc/84/87/01/344848701.db2.gz ODKZLUXFVYPCMR-UHFFFAOYSA-N 0 3 246.354 3.026 20 0 BGADHN CCN(Cc1cnc(C2CC2)o1)[C@H](C)C(C)C ZINC000628156518 344847364 /nfs/dbraw/zinc/84/73/64/344847364.db2.gz RQGFQNTYPZNOJC-LLVKDONJSA-N 0 3 236.359 3.418 20 0 BGADHN CCN(Cc1cnc(C2CC2)o1)[C@@H](C)C(C)C ZINC000628156519 344847286 /nfs/dbraw/zinc/84/72/86/344847286.db2.gz RQGFQNTYPZNOJC-NSHDSACASA-N 0 3 236.359 3.418 20 0 BGADHN C[C@@H]1CCCN(Cc2cnc(C3CC3)o2)CC1 ZINC000628156677 344849616 /nfs/dbraw/zinc/84/96/16/344849616.db2.gz YMAZZSCNWJLLCK-LLVKDONJSA-N 0 3 234.343 3.174 20 0 BGADHN C[C@H]1CCCN(Cc2cnc(C3CC3)o2)CC1 ZINC000628156678 344849785 /nfs/dbraw/zinc/84/97/85/344849785.db2.gz YMAZZSCNWJLLCK-NSHDSACASA-N 0 3 234.343 3.174 20 0 BGADHN Cc1nc(CN2CCC[C@@H]2CC(C)(C)C)[nH]c1C ZINC000628157360 344852541 /nfs/dbraw/zinc/85/25/41/344852541.db2.gz DXPDMILJTXTIOT-CYBMUJFWSA-N 0 3 249.402 3.427 20 0 BGADHN Cc1nc(CN2CCC[C@H]2CC(C)(C)C)[nH]c1C ZINC000628157361 344852560 /nfs/dbraw/zinc/85/25/60/344852560.db2.gz DXPDMILJTXTIOT-ZDUSSCGKSA-N 0 3 249.402 3.427 20 0 BGADHN Cc1c[nH]c(CN2CCC[C@@H]2CC(C)(C)C)n1 ZINC000628157860 344850841 /nfs/dbraw/zinc/85/08/41/344850841.db2.gz XQSTZIJRRQKCFX-GFCCVEGCSA-N 0 3 235.375 3.119 20 0 BGADHN Cc1c[nH]c(CN2CCC[C@H]2CC(C)(C)C)n1 ZINC000628157861 344850879 /nfs/dbraw/zinc/85/08/79/344850879.db2.gz XQSTZIJRRQKCFX-LBPRGKRZSA-N 0 3 235.375 3.119 20 0 BGADHN CN(Cc1cnc(C2CC2)o1)CC1CCCC1 ZINC000628158087 344852781 /nfs/dbraw/zinc/85/27/81/344852781.db2.gz DRYMVSHSWYGEAM-UHFFFAOYSA-N 0 3 234.343 3.174 20 0 BGADHN Cc1ncc(CN2CCC(C(C)(C)C)CC2)o1 ZINC000628158963 344852535 /nfs/dbraw/zinc/85/25/35/344852535.db2.gz DMBUDQRMQHXCQF-UHFFFAOYSA-N 0 3 236.359 3.241 20 0 BGADHN CN(Cc1cnc(C2CC2)o1)C(C1CC1)C1CC1 ZINC000628159538 344855438 /nfs/dbraw/zinc/85/54/38/344855438.db2.gz SILXUZIUYBZTHD-UHFFFAOYSA-N 0 3 246.354 3.172 20 0 BGADHN C[C@@H]1CCCN(Cc2cnc(C3CC3)o2)[C@@H]1C ZINC000628160037 344859117 /nfs/dbraw/zinc/85/91/17/344859117.db2.gz FRLXCHJEHYLSIA-GHMZBOCLSA-N 0 3 234.343 3.172 20 0 BGADHN C[C@@H]1CCCN(Cc2cnc(C3CC3)o2)[C@H]1C ZINC000628160038 344858929 /nfs/dbraw/zinc/85/89/29/344858929.db2.gz FRLXCHJEHYLSIA-MNOVXSKESA-N 0 3 234.343 3.172 20 0 BGADHN C[C@H]1CCCN(Cc2cnc(C3CC3)o2)[C@H]1C ZINC000628160039 344858815 /nfs/dbraw/zinc/85/88/15/344858815.db2.gz FRLXCHJEHYLSIA-QWRGUYRKSA-N 0 3 234.343 3.172 20 0 BGADHN C[C@@H]1[C@@H](C)CCCN1Cc1cnc(C2CC2)o1 ZINC000628160040 344858937 /nfs/dbraw/zinc/85/89/37/344858937.db2.gz FRLXCHJEHYLSIA-WDEREUQCSA-N 0 3 234.343 3.172 20 0 BGADHN c1nc(C2CC2)oc1CN1CCC[C@H]1C1CCC1 ZINC000628160170 344859074 /nfs/dbraw/zinc/85/90/74/344859074.db2.gz LSZLZGXMHJXZPD-AWEZNQCLSA-N 0 3 246.354 3.317 20 0 BGADHN c1nc(C2CC2)oc1CN1CCC[C@@H]1C1CCC1 ZINC000628160171 344858979 /nfs/dbraw/zinc/85/89/79/344858979.db2.gz LSZLZGXMHJXZPD-CQSZACIVSA-N 0 3 246.354 3.317 20 0 BGADHN Cc1ncc(CN(C)CCC2CCCCC2)o1 ZINC000628160683 344857510 /nfs/dbraw/zinc/85/75/10/344857510.db2.gz CWGSTROZSUERQM-UHFFFAOYSA-N 0 3 236.359 3.385 20 0 BGADHN CCN(Cc1ccoc1)C[C@@]1(C)CCCS1 ZINC000628161919 344859907 /nfs/dbraw/zinc/85/99/07/344859907.db2.gz WVUAJTBVKOFSKX-CYBMUJFWSA-N 0 3 239.384 3.387 20 0 BGADHN CCN(Cc1ccoc1)C[C@]1(C)CCCS1 ZINC000628161920 344859640 /nfs/dbraw/zinc/85/96/40/344859640.db2.gz WVUAJTBVKOFSKX-ZDUSSCGKSA-N 0 3 239.384 3.387 20 0 BGADHN Cc1ncc(CN(C)C[C@@H](C)c2ccccc2)o1 ZINC000628162301 344863180 /nfs/dbraw/zinc/86/31/80/344863180.db2.gz LBYYHHGIPZJNCH-GFCCVEGCSA-N 0 3 244.338 3.219 20 0 BGADHN Cc1ncc(CN(C)C[C@H](C)c2ccccc2)o1 ZINC000628162302 344863631 /nfs/dbraw/zinc/86/36/31/344863631.db2.gz LBYYHHGIPZJNCH-LBPRGKRZSA-N 0 3 244.338 3.219 20 0 BGADHN Cc1c[nH]c(CN(CC2CC2)C2CCCCC2)n1 ZINC000628162425 344863202 /nfs/dbraw/zinc/86/32/02/344863202.db2.gz PYWWPLREPBXHIG-UHFFFAOYSA-N 0 3 247.386 3.263 20 0 BGADHN Cc1nc(CN2CCC[C@@H]2C(C)(C)C)[nH]c1C ZINC000628162446 344863539 /nfs/dbraw/zinc/86/35/39/344863539.db2.gz QQHLGMMPCWRPAZ-GFCCVEGCSA-N 0 3 235.375 3.037 20 0 BGADHN Cc1nc(CN2CCC[C@H]2C(C)(C)C)[nH]c1C ZINC000628162447 344863401 /nfs/dbraw/zinc/86/34/01/344863401.db2.gz QQHLGMMPCWRPAZ-LBPRGKRZSA-N 0 3 235.375 3.037 20 0 BGADHN CC1(C)CCN(Cc2cnc(C3CC3)o2)CC1 ZINC000628162657 344864118 /nfs/dbraw/zinc/86/41/18/344864118.db2.gz YSABIOKADNAOTQ-UHFFFAOYSA-N 0 3 234.343 3.174 20 0 BGADHN C[C@@H]1CN(Cc2ccc3[nH]ccc3c2)CCS1 ZINC000628163347 344863937 /nfs/dbraw/zinc/86/39/37/344863937.db2.gz YLOIDPVNFSIGGT-LLVKDONJSA-N 0 3 246.379 3.105 20 0 BGADHN C[C@@H]1CN(Cc2ccc3cc[nH]c3c2)CCS1 ZINC000628163371 344864919 /nfs/dbraw/zinc/86/49/19/344864919.db2.gz ZCMYNOWLSVRPSI-LLVKDONJSA-N 0 3 246.379 3.105 20 0 BGADHN CC[C@@H](C)[C@@H](C)N(Cc1cnc(C)o1)C1CC1 ZINC000628164060 344871766 /nfs/dbraw/zinc/87/17/66/344871766.db2.gz CEYMWBRTWUOZIF-GHMZBOCLSA-N 0 3 236.359 3.382 20 0 BGADHN CC[C@@H](C)[C@H](C)N(Cc1cnc(C)o1)C1CC1 ZINC000628164061 344872059 /nfs/dbraw/zinc/87/20/59/344872059.db2.gz CEYMWBRTWUOZIF-MNOVXSKESA-N 0 3 236.359 3.382 20 0 BGADHN CC[C@H](C)[C@H](C)N(Cc1cnc(C)o1)C1CC1 ZINC000628164062 344871883 /nfs/dbraw/zinc/87/18/83/344871883.db2.gz CEYMWBRTWUOZIF-QWRGUYRKSA-N 0 3 236.359 3.382 20 0 BGADHN CC[C@H](C)[C@@H](C)N(Cc1cnc(C)o1)C1CC1 ZINC000628164063 344872051 /nfs/dbraw/zinc/87/20/51/344872051.db2.gz CEYMWBRTWUOZIF-WDEREUQCSA-N 0 3 236.359 3.382 20 0 BGADHN CC[C@H](C)[C@H](C)N(Cc1nc(C)c(C)[nH]1)C1CC1 ZINC000628164178 344872028 /nfs/dbraw/zinc/87/20/28/344872028.db2.gz GETDNNXSSHNVHL-GWCFXTLKSA-N 0 3 249.402 3.426 20 0 BGADHN CC[C@H](C)[C@@H](C)N(Cc1nc(C)c(C)[nH]1)C1CC1 ZINC000628164179 344872357 /nfs/dbraw/zinc/87/23/57/344872357.db2.gz GETDNNXSSHNVHL-GXFFZTMASA-N 0 3 249.402 3.426 20 0 BGADHN CC[C@@H](C)[C@H](C)N(Cc1nc(C)c(C)[nH]1)C1CC1 ZINC000628164180 344872610 /nfs/dbraw/zinc/87/26/10/344872610.db2.gz GETDNNXSSHNVHL-MFKMUULPSA-N 0 3 249.402 3.426 20 0 BGADHN CC[C@@H](C)[C@@H](C)N(Cc1nc(C)c(C)[nH]1)C1CC1 ZINC000628164181 344872944 /nfs/dbraw/zinc/87/29/44/344872944.db2.gz GETDNNXSSHNVHL-ZWNOBZJWSA-N 0 3 249.402 3.426 20 0 BGADHN CCC(C)(C)N(C)Cc1cnc(C2CC2)o1 ZINC000628169201 344882466 /nfs/dbraw/zinc/88/24/66/344882466.db2.gz UOPACSOSUNDBGX-UHFFFAOYSA-N 0 3 222.332 3.172 20 0 BGADHN CC(C)C[C@H]1CCN(Cc2cnc(C3CC3)o2)C1 ZINC000628171851 344891727 /nfs/dbraw/zinc/89/17/27/344891727.db2.gz OOFBMZYVTUDQEC-GFCCVEGCSA-N 0 3 248.370 3.420 20 0 BGADHN CC(C)C[C@@H]1CCN(Cc2cnc(C3CC3)o2)C1 ZINC000628171852 344891568 /nfs/dbraw/zinc/89/15/68/344891568.db2.gz OOFBMZYVTUDQEC-LBPRGKRZSA-N 0 3 248.370 3.420 20 0 BGADHN Cc1nc(CN2[C@H](C)C[C@@H]3CCCC[C@H]32)[nH]c1C ZINC000628174200 344895674 /nfs/dbraw/zinc/89/56/74/344895674.db2.gz AFBCXMQGXKELGA-DDTOSNHZSA-N 0 3 247.386 3.180 20 0 BGADHN Cc1nc(CN2[C@H](C)C[C@H]3CCCC[C@@H]32)[nH]c1C ZINC000628174201 344895720 /nfs/dbraw/zinc/89/57/20/344895720.db2.gz AFBCXMQGXKELGA-HONMWMINSA-N 0 3 247.386 3.180 20 0 BGADHN Cc1nc(CN2[C@H](C)C[C@H]3CCCC[C@H]32)[nH]c1C ZINC000628174202 344895681 /nfs/dbraw/zinc/89/56/81/344895681.db2.gz AFBCXMQGXKELGA-LERXQTSPSA-N 0 3 247.386 3.180 20 0 BGADHN Cc1nc(CN2[C@H](C)C[C@@H]3CCCC[C@@H]32)[nH]c1C ZINC000628174203 344895510 /nfs/dbraw/zinc/89/55/10/344895510.db2.gz AFBCXMQGXKELGA-SWHYSGLUSA-N 0 3 247.386 3.180 20 0 BGADHN C[C@@H]1CCCCCN1Cc1cnc(C2CC2)o1 ZINC000628174394 344896515 /nfs/dbraw/zinc/89/65/15/344896515.db2.gz HWKLYUSQSMADOD-LLVKDONJSA-N 0 3 234.343 3.317 20 0 BGADHN C[C@H]1CCCCCN1Cc1cnc(C2CC2)o1 ZINC000628174395 344896182 /nfs/dbraw/zinc/89/61/82/344896182.db2.gz HWKLYUSQSMADOD-NSHDSACASA-N 0 3 234.343 3.317 20 0 BGADHN C[C@@H]1CSCCN1Cc1ccc2[nH]ccc2c1 ZINC000628175026 344897700 /nfs/dbraw/zinc/89/77/00/344897700.db2.gz HETKHOYUSJRMJK-LLVKDONJSA-N 0 3 246.379 3.105 20 0 BGADHN C[C@H]1CSCCN1Cc1ccc2[nH]ccc2c1 ZINC000628175027 344897336 /nfs/dbraw/zinc/89/73/36/344897336.db2.gz HETKHOYUSJRMJK-NSHDSACASA-N 0 3 246.379 3.105 20 0 BGADHN C[C@@H]1CSCCN1Cc1ccc2cc[nH]c2c1 ZINC000628175246 344898158 /nfs/dbraw/zinc/89/81/58/344898158.db2.gz PETOIZFPKKDPDM-LLVKDONJSA-N 0 3 246.379 3.105 20 0 BGADHN C[C@H]1CSCCN1Cc1ccc2cc[nH]c2c1 ZINC000628175247 344897965 /nfs/dbraw/zinc/89/79/65/344897965.db2.gz PETOIZFPKKDPDM-NSHDSACASA-N 0 3 246.379 3.105 20 0 BGADHN CC[C@H]1CCCC[C@H]1CN(C)Cc1cn[nH]c1 ZINC000628175930 344899974 /nfs/dbraw/zinc/89/99/74/344899974.db2.gz OLNQJRWOEPUKOF-KBPBESRZSA-N 0 3 235.375 3.058 20 0 BGADHN CC[C@@H]1CCCC[C@H]1CN(C)Cc1cn[nH]c1 ZINC000628175931 344899814 /nfs/dbraw/zinc/89/98/14/344899814.db2.gz OLNQJRWOEPUKOF-KGLIPLIRSA-N 0 3 235.375 3.058 20 0 BGADHN CC[C@H]1CCCC[C@@H]1CN(C)Cc1cn[nH]c1 ZINC000628175932 344899705 /nfs/dbraw/zinc/89/97/05/344899705.db2.gz OLNQJRWOEPUKOF-UONOGXRCSA-N 0 3 235.375 3.058 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1CN(C)Cc1cn[nH]c1 ZINC000628175933 344899790 /nfs/dbraw/zinc/89/97/90/344899790.db2.gz OLNQJRWOEPUKOF-ZIAGYGMSSA-N 0 3 235.375 3.058 20 0 BGADHN Cc1ncc(CN2CCC[C@@]3(CC=CCC3)C2)o1 ZINC000628176246 344904186 /nfs/dbraw/zinc/90/41/86/344904186.db2.gz BIURKGMZHALSBV-HNNXBMFYSA-N 0 3 246.354 3.305 20 0 BGADHN Cc1ncc(CN2CCC[C@]3(CC=CCC3)C2)o1 ZINC000628176247 344903961 /nfs/dbraw/zinc/90/39/61/344903961.db2.gz BIURKGMZHALSBV-OAHLLOKOSA-N 0 3 246.354 3.305 20 0 BGADHN Cc1ncc(CN2CCC[C@@H](C(C)C)CC2)o1 ZINC000628176524 344904598 /nfs/dbraw/zinc/90/45/98/344904598.db2.gz NGJWEZFZZNJBHC-CYBMUJFWSA-N 0 3 236.359 3.241 20 0 BGADHN Cc1ncc(CN2CCC[C@H](C(C)C)CC2)o1 ZINC000628176525 344904521 /nfs/dbraw/zinc/90/45/21/344904521.db2.gz NGJWEZFZZNJBHC-ZDUSSCGKSA-N 0 3 236.359 3.241 20 0 BGADHN Cc1nc(CN2CCCC[C@@H]2C(C)C)[nH]c1C ZINC000628177250 344904462 /nfs/dbraw/zinc/90/44/62/344904462.db2.gz QUVZGAHDLQOMMW-CYBMUJFWSA-N 0 3 235.375 3.037 20 0 BGADHN Cc1nc(CN2CCCC[C@H]2C(C)C)[nH]c1C ZINC000628177251 344904583 /nfs/dbraw/zinc/90/45/83/344904583.db2.gz QUVZGAHDLQOMMW-ZDUSSCGKSA-N 0 3 235.375 3.037 20 0 BGADHN c1nc(C2CC2)oc1CN(CC1CC1)CC1CC1 ZINC000628178211 344909286 /nfs/dbraw/zinc/90/92/86/344909286.db2.gz INSKQGMYVKOPCG-UHFFFAOYSA-N 0 3 246.354 3.174 20 0 BGADHN C[C@@H]1CCN(Cc2cnc(C3CC3)o2)C[C@H]1C ZINC000628178234 344909487 /nfs/dbraw/zinc/90/94/87/344909487.db2.gz JFUUVGDMGCHONW-GHMZBOCLSA-N 0 3 234.343 3.030 20 0 BGADHN C[C@@H]1CCN(Cc2cnc(C3CC3)o2)C[C@@H]1C ZINC000628178235 344909416 /nfs/dbraw/zinc/90/94/16/344909416.db2.gz JFUUVGDMGCHONW-MNOVXSKESA-N 0 3 234.343 3.030 20 0 BGADHN C[C@H]1CN(Cc2cnc(C3CC3)o2)CC[C@@H]1C ZINC000628178236 344909326 /nfs/dbraw/zinc/90/93/26/344909326.db2.gz JFUUVGDMGCHONW-QWRGUYRKSA-N 0 3 234.343 3.030 20 0 BGADHN C[C@H]1CCN(Cc2cnc(C3CC3)o2)C[C@H]1C ZINC000628178237 344909319 /nfs/dbraw/zinc/90/93/19/344909319.db2.gz JFUUVGDMGCHONW-WDEREUQCSA-N 0 3 234.343 3.030 20 0 BGADHN CC1=CCN(Cc2ccc3[nH]ccc3c2)CC1 ZINC000628178401 344908516 /nfs/dbraw/zinc/90/85/16/344908516.db2.gz OUGBVLVDMIAUPM-UHFFFAOYSA-N 0 3 226.323 3.320 20 0 BGADHN Cc1ncc(CN(C)C2CCC(C)(C)CC2)o1 ZINC000628178825 344913275 /nfs/dbraw/zinc/91/32/75/344913275.db2.gz DPWYZFLQDAXFHB-UHFFFAOYSA-N 0 3 236.359 3.384 20 0 BGADHN CC[C@@H]1C[C@H](C)CN1Cc1cnc(C2CC2)o1 ZINC000628178827 344913416 /nfs/dbraw/zinc/91/34/16/344913416.db2.gz DUADZJFNNLMJPU-CMPLNLGQSA-N 0 3 234.343 3.172 20 0 BGADHN CC[C@H]1C[C@H](C)CN1Cc1cnc(C2CC2)o1 ZINC000628178828 344913408 /nfs/dbraw/zinc/91/34/08/344913408.db2.gz DUADZJFNNLMJPU-JQWIXIFHSA-N 0 3 234.343 3.172 20 0 BGADHN CC[C@H]1C[C@@H](C)CN1Cc1cnc(C2CC2)o1 ZINC000628178829 344913498 /nfs/dbraw/zinc/91/34/98/344913498.db2.gz DUADZJFNNLMJPU-PWSUYJOCSA-N 0 3 234.343 3.172 20 0 BGADHN CC[C@@H]1C[C@@H](C)CN1Cc1cnc(C2CC2)o1 ZINC000628178830 344913170 /nfs/dbraw/zinc/91/31/70/344913170.db2.gz DUADZJFNNLMJPU-ZYHUDNBSSA-N 0 3 234.343 3.172 20 0 BGADHN C[C@@H]1CC[C@@H](C)N(Cc2cnc(C3CC3)o2)C1 ZINC000628178841 344913350 /nfs/dbraw/zinc/91/33/50/344913350.db2.gz FYVVZUUZMLYFIX-GHMZBOCLSA-N 0 3 234.343 3.172 20 0 BGADHN C[C@@H]1CC[C@H](C)N(Cc2cnc(C3CC3)o2)C1 ZINC000628178842 344913110 /nfs/dbraw/zinc/91/31/10/344913110.db2.gz FYVVZUUZMLYFIX-MNOVXSKESA-N 0 3 234.343 3.172 20 0 BGADHN C[C@H]1CC[C@H](C)N(Cc2cnc(C3CC3)o2)C1 ZINC000628178843 344913255 /nfs/dbraw/zinc/91/32/55/344913255.db2.gz FYVVZUUZMLYFIX-QWRGUYRKSA-N 0 3 234.343 3.172 20 0 BGADHN C[C@@H]1CC[C@H](C)CN1Cc1cnc(C2CC2)o1 ZINC000628178844 344913427 /nfs/dbraw/zinc/91/34/27/344913427.db2.gz FYVVZUUZMLYFIX-WDEREUQCSA-N 0 3 234.343 3.172 20 0 BGADHN Cc1nc(CN2C[C@H](C)CCC[C@H]2C)[nH]c1C ZINC000628179201 344914327 /nfs/dbraw/zinc/91/43/27/344914327.db2.gz RCESYKDHWPISJM-GHMZBOCLSA-N 0 3 235.375 3.037 20 0 BGADHN Cc1nc(CN2C[C@H](C)CCC[C@@H]2C)[nH]c1C ZINC000628179202 344913855 /nfs/dbraw/zinc/91/38/55/344913855.db2.gz RCESYKDHWPISJM-MNOVXSKESA-N 0 3 235.375 3.037 20 0 BGADHN Cc1nc(CN2C[C@@H](C)CCC[C@@H]2C)[nH]c1C ZINC000628179203 344914483 /nfs/dbraw/zinc/91/44/83/344914483.db2.gz RCESYKDHWPISJM-QWRGUYRKSA-N 0 3 235.375 3.037 20 0 BGADHN Cc1nc(CN2C[C@@H](C)CCC[C@H]2C)[nH]c1C ZINC000628179204 344914359 /nfs/dbraw/zinc/91/43/59/344914359.db2.gz RCESYKDHWPISJM-WDEREUQCSA-N 0 3 235.375 3.037 20 0 BGADHN CCC[C@@]1(C)CCCN(Cc2cnc(C)o2)C1 ZINC000628179346 344914312 /nfs/dbraw/zinc/91/43/12/344914312.db2.gz WXNOLUHVKPKFFW-AWEZNQCLSA-N 0 3 236.359 3.385 20 0 BGADHN CCC[C@]1(C)CCCN(Cc2cnc(C)o2)C1 ZINC000628179347 344914003 /nfs/dbraw/zinc/91/40/03/344914003.db2.gz WXNOLUHVKPKFFW-CQSZACIVSA-N 0 3 236.359 3.385 20 0 BGADHN CC[C@@H]1CCCCCN1Cc1nc(C)c(C)[nH]1 ZINC000628179609 344915826 /nfs/dbraw/zinc/91/58/26/344915826.db2.gz HCZRLJRNIYCILZ-CYBMUJFWSA-N 0 3 235.375 3.181 20 0 BGADHN CC[C@H]1CCCCCN1Cc1nc(C)c(C)[nH]1 ZINC000628179610 344915621 /nfs/dbraw/zinc/91/56/21/344915621.db2.gz HCZRLJRNIYCILZ-ZDUSSCGKSA-N 0 3 235.375 3.181 20 0 BGADHN CC[C@@H]1CCCCCN1Cc1cnc(C)o1 ZINC000628180047 344916343 /nfs/dbraw/zinc/91/63/43/344916343.db2.gz ZPMIVHMDDZPNLO-GFCCVEGCSA-N 0 3 222.332 3.138 20 0 BGADHN CC[C@H]1CCCCCN1Cc1cnc(C)o1 ZINC000628180048 344916379 /nfs/dbraw/zinc/91/63/79/344916379.db2.gz ZPMIVHMDDZPNLO-LBPRGKRZSA-N 0 3 222.332 3.138 20 0 BGADHN CC[C@H](C)[C@@H]1CCCCN1Cc1nc(C)c[nH]1 ZINC000628181372 344921000 /nfs/dbraw/zinc/92/10/00/344921000.db2.gz AVVBZCGCYNACBH-AAEUAGOBSA-N 0 3 235.375 3.119 20 0 BGADHN CC[C@@H](C)[C@H]1CCCCN1Cc1nc(C)c[nH]1 ZINC000628181373 344921028 /nfs/dbraw/zinc/92/10/28/344921028.db2.gz AVVBZCGCYNACBH-DGCLKSJQSA-N 0 3 235.375 3.119 20 0 BGADHN CC[C@H](C)[C@H]1CCCCN1Cc1nc(C)c[nH]1 ZINC000628181374 344921085 /nfs/dbraw/zinc/92/10/85/344921085.db2.gz AVVBZCGCYNACBH-WCQYABFASA-N 0 3 235.375 3.119 20 0 BGADHN CC[C@@H](C)[C@@H]1CCCCN1Cc1nc(C)c[nH]1 ZINC000628181375 344921298 /nfs/dbraw/zinc/92/12/98/344921298.db2.gz AVVBZCGCYNACBH-YPMHNXCESA-N 0 3 235.375 3.119 20 0 BGADHN CC[C@@H](C)[C@H]1CCCCN1Cc1cnc(C)o1 ZINC000628181490 344920942 /nfs/dbraw/zinc/92/09/42/344920942.db2.gz FIBOLQJBGGAJDZ-BXUZGUMPSA-N 0 3 236.359 3.384 20 0 BGADHN CC[C@H](C)[C@@H]1CCCCN1Cc1cnc(C)o1 ZINC000628181491 344921119 /nfs/dbraw/zinc/92/11/19/344921119.db2.gz FIBOLQJBGGAJDZ-FZMZJTMJSA-N 0 3 236.359 3.384 20 0 BGADHN CC[C@@H](C)[C@@H]1CCCCN1Cc1cnc(C)o1 ZINC000628181492 344920833 /nfs/dbraw/zinc/92/08/33/344920833.db2.gz FIBOLQJBGGAJDZ-RISCZKNCSA-N 0 3 236.359 3.384 20 0 BGADHN CC[C@H](C)[C@H]1CCCCN1Cc1cnc(C)o1 ZINC000628181493 344921036 /nfs/dbraw/zinc/92/10/36/344921036.db2.gz FIBOLQJBGGAJDZ-SMDDNHRTSA-N 0 3 236.359 3.384 20 0 BGADHN CC[C@@H](C)[C@H]1CCCCN1Cc1nc(C)c(C)[nH]1 ZINC000628181619 344921204 /nfs/dbraw/zinc/92/12/04/344921204.db2.gz JLHWLMKCJHQDEB-BXUZGUMPSA-N 0 3 249.402 3.427 20 0 BGADHN CC[C@H](C)[C@@H]1CCCCN1Cc1nc(C)c(C)[nH]1 ZINC000628181620 344920805 /nfs/dbraw/zinc/92/08/05/344920805.db2.gz JLHWLMKCJHQDEB-FZMZJTMJSA-N 0 3 249.402 3.427 20 0 BGADHN CC[C@@H](C)[C@@H]1CCCCN1Cc1nc(C)c(C)[nH]1 ZINC000628181621 344921283 /nfs/dbraw/zinc/92/12/83/344921283.db2.gz JLHWLMKCJHQDEB-RISCZKNCSA-N 0 3 249.402 3.427 20 0 BGADHN CC[C@H](C)[C@H]1CCCCN1Cc1nc(C)c(C)[nH]1 ZINC000628181622 344920817 /nfs/dbraw/zinc/92/08/17/344920817.db2.gz JLHWLMKCJHQDEB-SMDDNHRTSA-N 0 3 249.402 3.427 20 0 BGADHN CC(C)N(Cc1cnc(C2CC2)o1)C1CCC1 ZINC000628182677 344926524 /nfs/dbraw/zinc/92/65/24/344926524.db2.gz DIDSOMXOSKNPPN-UHFFFAOYSA-N 0 3 234.343 3.315 20 0 BGADHN Cc1ncc(CN2CCC3(C2)CCCCC3)o1 ZINC000628183539 344931863 /nfs/dbraw/zinc/93/18/63/344931863.db2.gz GCWZHBYKZLVUQE-UHFFFAOYSA-N 0 3 234.343 3.139 20 0 BGADHN Cc1ncc(CN2CCCC[C@@H]2CC(C)C)o1 ZINC000628183620 344932510 /nfs/dbraw/zinc/93/25/10/344932510.db2.gz IHXQUGJGHNWVAH-CYBMUJFWSA-N 0 3 236.359 3.384 20 0 BGADHN Cc1ncc(CN2CCCC[C@H]2CC(C)C)o1 ZINC000628183621 344932355 /nfs/dbraw/zinc/93/23/55/344932355.db2.gz IHXQUGJGHNWVAH-ZDUSSCGKSA-N 0 3 236.359 3.384 20 0 BGADHN Cc1nc(CN2CCCC(C)(C)CC2)[nH]c1C ZINC000628183801 344932550 /nfs/dbraw/zinc/93/25/50/344932550.db2.gz NWPXYNAYIPMUMF-UHFFFAOYSA-N 0 3 235.375 3.039 20 0 BGADHN Cc1c[nH]c(CN2CCCC[C@@H]2CC(C)C)n1 ZINC000628183978 344930707 /nfs/dbraw/zinc/93/07/07/344930707.db2.gz VJQWZOCUXXYOAS-CYBMUJFWSA-N 0 3 235.375 3.119 20 0 BGADHN Cc1c[nH]c(CN2CCCC[C@H]2CC(C)C)n1 ZINC000628183979 344930698 /nfs/dbraw/zinc/93/06/98/344930698.db2.gz VJQWZOCUXXYOAS-ZDUSSCGKSA-N 0 3 235.375 3.119 20 0 BGADHN Cc1nc(CN2CCCC[C@H]2CC(C)C)[nH]c1C ZINC000628184004 344930294 /nfs/dbraw/zinc/93/02/94/344930294.db2.gz WTBXLMACEIJVCE-AWEZNQCLSA-N 0 3 249.402 3.427 20 0 BGADHN Cc1nc(CN2CCCC[C@@H]2CC(C)C)[nH]c1C ZINC000628184005 344930340 /nfs/dbraw/zinc/93/03/40/344930340.db2.gz WTBXLMACEIJVCE-CQSZACIVSA-N 0 3 249.402 3.427 20 0 BGADHN c1nc(C2CC2)oc1CN1C2CCCC1CCC2 ZINC000628184184 344933978 /nfs/dbraw/zinc/93/39/78/344933978.db2.gz CTTUQXWCYLUXMH-UHFFFAOYSA-N 0 3 246.354 3.459 20 0 BGADHN Cc1c[nH]c(CN2CCCC23CCCCC3)n1 ZINC000628184951 344933077 /nfs/dbraw/zinc/93/30/77/344933077.db2.gz FNDFQRCZAUJBOT-UHFFFAOYSA-N 0 3 233.359 3.017 20 0 BGADHN Cc1nc(CN2CCCC23CCCCC3)[nH]c1C ZINC000628184991 344933011 /nfs/dbraw/zinc/93/30/11/344933011.db2.gz HJSNRDRNHBJDPW-UHFFFAOYSA-N 0 3 247.386 3.325 20 0 BGADHN Cc1ncc(CN2CCC[C@H](CC(C)C)C2)o1 ZINC000628185184 344933787 /nfs/dbraw/zinc/93/37/87/344933787.db2.gz OQRQPEREEQSSHL-CYBMUJFWSA-N 0 3 236.359 3.241 20 0 BGADHN Cc1ncc(CN2CCC[C@@H](CC(C)C)C2)o1 ZINC000628185185 344933729 /nfs/dbraw/zinc/93/37/29/344933729.db2.gz OQRQPEREEQSSHL-ZDUSSCGKSA-N 0 3 236.359 3.241 20 0 BGADHN CCC[C@@H]1[C@H](C)CCCN1Cc1nc(C)c(C)[nH]1 ZINC000628185498 344935649 /nfs/dbraw/zinc/93/56/49/344935649.db2.gz BJFKJGVUBRYOAA-BXUZGUMPSA-N 0 3 249.402 3.427 20 0 BGADHN CCC[C@H]1[C@@H](C)CCCN1Cc1nc(C)c(C)[nH]1 ZINC000628185499 344935768 /nfs/dbraw/zinc/93/57/68/344935768.db2.gz BJFKJGVUBRYOAA-FZMZJTMJSA-N 0 3 249.402 3.427 20 0 BGADHN CCC[C@H]1[C@H](C)CCCN1Cc1nc(C)c(C)[nH]1 ZINC000628185500 344935763 /nfs/dbraw/zinc/93/57/63/344935763.db2.gz BJFKJGVUBRYOAA-RISCZKNCSA-N 0 3 249.402 3.427 20 0 BGADHN CCC[C@@H]1[C@@H](C)CCCN1Cc1nc(C)c(C)[nH]1 ZINC000628185501 344935310 /nfs/dbraw/zinc/93/53/10/344935310.db2.gz BJFKJGVUBRYOAA-SMDDNHRTSA-N 0 3 249.402 3.427 20 0 BGADHN CCC[C@@H]1[C@H](C)CCCN1Cc1cnc(C)o1 ZINC000628185782 344936123 /nfs/dbraw/zinc/93/61/23/344936123.db2.gz LWZAEEUSIQBOAT-BXUZGUMPSA-N 0 3 236.359 3.384 20 0 BGADHN CCC[C@H]1[C@@H](C)CCCN1Cc1cnc(C)o1 ZINC000628185783 344936216 /nfs/dbraw/zinc/93/62/16/344936216.db2.gz LWZAEEUSIQBOAT-FZMZJTMJSA-N 0 3 236.359 3.384 20 0 BGADHN CCC[C@H]1[C@H](C)CCCN1Cc1cnc(C)o1 ZINC000628185784 344935969 /nfs/dbraw/zinc/93/59/69/344935969.db2.gz LWZAEEUSIQBOAT-RISCZKNCSA-N 0 3 236.359 3.384 20 0 BGADHN CCC[C@@H]1[C@@H](C)CCCN1Cc1cnc(C)o1 ZINC000628185785 344936155 /nfs/dbraw/zinc/93/61/55/344936155.db2.gz LWZAEEUSIQBOAT-SMDDNHRTSA-N 0 3 236.359 3.384 20 0 BGADHN Cc1ncc(CN2CCC(C3CCCC3)CC2)o1 ZINC000628185904 344936235 /nfs/dbraw/zinc/93/62/35/344936235.db2.gz QEOZRRDODGOIRR-UHFFFAOYSA-N 0 3 248.370 3.385 20 0 BGADHN CCC[C@H]1[C@@H](C)CCCN1Cc1nc(C)c[nH]1 ZINC000628185976 344936329 /nfs/dbraw/zinc/93/63/29/344936329.db2.gz SXQHXZCEJZDWMZ-AAEUAGOBSA-N 0 3 235.375 3.119 20 0 BGADHN CCC[C@@H]1[C@H](C)CCCN1Cc1nc(C)c[nH]1 ZINC000628185977 344935978 /nfs/dbraw/zinc/93/59/78/344935978.db2.gz SXQHXZCEJZDWMZ-DGCLKSJQSA-N 0 3 235.375 3.119 20 0 BGADHN CCC[C@@H]1[C@@H](C)CCCN1Cc1nc(C)c[nH]1 ZINC000628185978 344935945 /nfs/dbraw/zinc/93/59/45/344935945.db2.gz SXQHXZCEJZDWMZ-WCQYABFASA-N 0 3 235.375 3.119 20 0 BGADHN CCC[C@H]1[C@H](C)CCCN1Cc1nc(C)c[nH]1 ZINC000628185979 344936335 /nfs/dbraw/zinc/93/63/35/344936335.db2.gz SXQHXZCEJZDWMZ-YPMHNXCESA-N 0 3 235.375 3.119 20 0 BGADHN CC[C@@]1(C)CCN(Cc2cnc(C3CC3)o2)C1 ZINC000628186154 344936247 /nfs/dbraw/zinc/93/62/47/344936247.db2.gz ABBARQVSSADDMK-AWEZNQCLSA-N 0 3 234.343 3.174 20 0 BGADHN CC[C@]1(C)CCN(Cc2cnc(C3CC3)o2)C1 ZINC000628186155 344936299 /nfs/dbraw/zinc/93/62/99/344936299.db2.gz ABBARQVSSADDMK-CQSZACIVSA-N 0 3 234.343 3.174 20 0 BGADHN Cc1c[nH]c(CN(CC(C)C)CC(C)(C)C)n1 ZINC000628187244 344938456 /nfs/dbraw/zinc/93/84/56/344938456.db2.gz KWZUMGSADDFPPI-UHFFFAOYSA-N 0 3 237.391 3.222 20 0 BGADHN Cc1ncc(CN(CC(C)C)CC(C)(C)C)o1 ZINC000628187350 344937583 /nfs/dbraw/zinc/93/75/83/344937583.db2.gz NWYBQNMTVLUOAH-UHFFFAOYSA-N 0 3 238.375 3.487 20 0 BGADHN Cc1nc(CN2CCC[C@H]2CCC(C)C)[nH]c1C ZINC000628187900 344940652 /nfs/dbraw/zinc/94/06/52/344940652.db2.gz FLJFFGXJUCXOSK-AWEZNQCLSA-N 0 3 249.402 3.427 20 0 BGADHN Cc1nc(CN2CCC[C@@H]2CCC(C)C)[nH]c1C ZINC000628187901 344940680 /nfs/dbraw/zinc/94/06/80/344940680.db2.gz FLJFFGXJUCXOSK-CQSZACIVSA-N 0 3 249.402 3.427 20 0 BGADHN CCC(CC)N(Cc1nc(C)c[nH]1)CC(C)C ZINC000628187982 344940743 /nfs/dbraw/zinc/94/07/43/344940743.db2.gz ILBKFYHVIVIFOO-UHFFFAOYSA-N 0 3 237.391 3.365 20 0 BGADHN Cc1c[nH]c(CN2CCC[C@@H]2CCC(C)C)n1 ZINC000628188037 344941020 /nfs/dbraw/zinc/94/10/20/344941020.db2.gz LGERFNYCOWXDPN-CYBMUJFWSA-N 0 3 235.375 3.119 20 0 BGADHN Cc1c[nH]c(CN2CCC[C@H]2CCC(C)C)n1 ZINC000628188038 344940710 /nfs/dbraw/zinc/94/07/10/344940710.db2.gz LGERFNYCOWXDPN-ZDUSSCGKSA-N 0 3 235.375 3.119 20 0 BGADHN Cc1ncc(CN2CCC[C@@H]2CCC(C)C)o1 ZINC000628188072 344941094 /nfs/dbraw/zinc/94/10/94/344941094.db2.gz MUXLMCYRHPZCJJ-CYBMUJFWSA-N 0 3 236.359 3.384 20 0 BGADHN Cc1ncc(CN2CCC[C@H]2CCC(C)C)o1 ZINC000628188073 344940670 /nfs/dbraw/zinc/94/06/70/344940670.db2.gz MUXLMCYRHPZCJJ-ZDUSSCGKSA-N 0 3 236.359 3.384 20 0 BGADHN CC[C@@H](C)CN(CC)Cc1cnc(C2CC2)o1 ZINC000628188249 344941088 /nfs/dbraw/zinc/94/10/88/344941088.db2.gz SXLDFRNASFHUJR-LLVKDONJSA-N 0 3 236.359 3.420 20 0 BGADHN CC[C@H](C)CN(CC)Cc1cnc(C2CC2)o1 ZINC000628188250 344940780 /nfs/dbraw/zinc/94/07/80/344940780.db2.gz SXLDFRNASFHUJR-NSHDSACASA-N 0 3 236.359 3.420 20 0 BGADHN CCC[C@@H](C)[C@H]1CCCN1Cc1nc(C)c(C)[nH]1 ZINC000628188334 344940581 /nfs/dbraw/zinc/94/05/81/344940581.db2.gz WXOGBQFNLKLMAO-BXUZGUMPSA-N 0 3 249.402 3.427 20 0 BGADHN CCC[C@H](C)[C@@H]1CCCN1Cc1nc(C)c(C)[nH]1 ZINC000628188335 344940861 /nfs/dbraw/zinc/94/08/61/344940861.db2.gz WXOGBQFNLKLMAO-FZMZJTMJSA-N 0 3 249.402 3.427 20 0 BGADHN CCC[C@@H](C)[C@@H]1CCCN1Cc1nc(C)c(C)[nH]1 ZINC000628188336 344940691 /nfs/dbraw/zinc/94/06/91/344940691.db2.gz WXOGBQFNLKLMAO-RISCZKNCSA-N 0 3 249.402 3.427 20 0 BGADHN CCC[C@H](C)[C@H]1CCCN1Cc1nc(C)c(C)[nH]1 ZINC000628188337 344940962 /nfs/dbraw/zinc/94/09/62/344940962.db2.gz WXOGBQFNLKLMAO-SMDDNHRTSA-N 0 3 249.402 3.427 20 0 BGADHN CCC[C@H](C)[C@@H]1CCCN1Cc1nc(C)c[nH]1 ZINC000628188367 344941091 /nfs/dbraw/zinc/94/10/91/344941091.db2.gz XXCQRMKJAYYGDP-AAEUAGOBSA-N 0 3 235.375 3.119 20 0 BGADHN CCC[C@@H](C)[C@H]1CCCN1Cc1nc(C)c[nH]1 ZINC000628188368 344940909 /nfs/dbraw/zinc/94/09/09/344940909.db2.gz XXCQRMKJAYYGDP-DGCLKSJQSA-N 0 3 235.375 3.119 20 0 BGADHN CCC[C@H](C)[C@H]1CCCN1Cc1nc(C)c[nH]1 ZINC000628188369 344940594 /nfs/dbraw/zinc/94/05/94/344940594.db2.gz XXCQRMKJAYYGDP-WCQYABFASA-N 0 3 235.375 3.119 20 0 BGADHN CCC[C@@H](C)[C@@H]1CCCN1Cc1nc(C)c[nH]1 ZINC000628188370 344941515 /nfs/dbraw/zinc/94/15/15/344941515.db2.gz XXCQRMKJAYYGDP-YPMHNXCESA-N 0 3 235.375 3.119 20 0 BGADHN C[C@H](N(C)Cc1cnc(C2CC2)o1)C1(C)CC1 ZINC000628189693 344942179 /nfs/dbraw/zinc/94/21/79/344942179.db2.gz KAZFSDRZHKSTFA-JTQLQIEISA-N 0 3 234.343 3.172 20 0 BGADHN C[C@@H](N(C)Cc1cnc(C2CC2)o1)C1(C)CC1 ZINC000628189694 344942531 /nfs/dbraw/zinc/94/25/31/344942531.db2.gz KAZFSDRZHKSTFA-SNVBAGLBSA-N 0 3 234.343 3.172 20 0 BGADHN CC(C)[C@@H]1CCN(Cc2cnc(C3CC3)o2)C1 ZINC000628190205 344942870 /nfs/dbraw/zinc/94/28/70/344942870.db2.gz YSBRZPWKXNVEFZ-GFCCVEGCSA-N 0 3 234.343 3.030 20 0 BGADHN CC(C)[C@H]1CCN(Cc2cnc(C3CC3)o2)C1 ZINC000628190206 344943230 /nfs/dbraw/zinc/94/32/30/344943230.db2.gz YSBRZPWKXNVEFZ-LBPRGKRZSA-N 0 3 234.343 3.030 20 0 BGADHN C[C@@H]1CCN(Cc2cnc(C3CC3)o2)C[C@@H](C)C1 ZINC000628190247 344942931 /nfs/dbraw/zinc/94/29/31/344942931.db2.gz ZSXKWTBTKKKSHV-NEPJUHHUSA-N 0 3 248.370 3.420 20 0 BGADHN C[C@H]1CCN(Cc2cnc(C3CC3)o2)C[C@H](C)C1 ZINC000628190248 344942916 /nfs/dbraw/zinc/94/29/16/344942916.db2.gz ZSXKWTBTKKKSHV-NWDGAFQWSA-N 0 3 248.370 3.420 20 0 BGADHN C[C@H]1CCN(Cc2cnc(C3CC3)o2)C[C@@H](C)C1 ZINC000628190249 344943275 /nfs/dbraw/zinc/94/32/75/344943275.db2.gz ZSXKWTBTKKKSHV-RYUDHWBXSA-N 0 3 248.370 3.420 20 0 BGADHN C[C@@H]1C[C@H](C)CCN(Cc2cnc(C3CC3)o2)C1 ZINC000628190250 344943143 /nfs/dbraw/zinc/94/31/43/344943143.db2.gz ZSXKWTBTKKKSHV-VXGBXAGGSA-N 0 3 248.370 3.420 20 0 BGADHN c1cc2cc(CN3[C@H]4C=CC[C@@H]3CC4)ccc2[nH]1 ZINC000628191370 344945957 /nfs/dbraw/zinc/94/59/57/344945957.db2.gz ISLBLDDGDPGMRG-LSDHHAIUSA-N 0 3 238.334 3.461 20 0 BGADHN c1cc2ccc(CN3[C@H]4C=CC[C@@H]3CC4)cc2[nH]1 ZINC000628191801 344945630 /nfs/dbraw/zinc/94/56/30/344945630.db2.gz VTFBPXGXFNIPPA-LSDHHAIUSA-N 0 3 238.334 3.461 20 0 BGADHN C[C@@H](NCc1ccc(Cl)o1)C1CC(F)(F)C1 ZINC000628198726 344963459 /nfs/dbraw/zinc/96/34/59/344963459.db2.gz IZYSEFNNOJIIDH-SSDOTTSWSA-N 0 3 249.688 3.456 20 0 BGADHN C[C@H](NCc1ccc(Cl)o1)C1CC(F)(F)C1 ZINC000628198727 344963862 /nfs/dbraw/zinc/96/38/62/344963862.db2.gz IZYSEFNNOJIIDH-ZETCQYMHSA-N 0 3 249.688 3.456 20 0 BGADHN Cc1nc(C)c(CNCCCC2CCCC2)o1 ZINC000628198932 344965365 /nfs/dbraw/zinc/96/53/65/344965365.db2.gz RRKQVXSKIXRWED-UHFFFAOYSA-N 0 3 236.359 3.351 20 0 BGADHN Cc1ncc(CNCCCC2CCCC2)o1 ZINC000628199034 344965084 /nfs/dbraw/zinc/96/50/84/344965084.db2.gz YLUFKFHYCBECDF-UHFFFAOYSA-N 0 3 222.332 3.043 20 0 BGADHN Cc1nc(C)c(CNC2(C)CCCCC2)o1 ZINC000628200420 344972027 /nfs/dbraw/zinc/97/20/27/344972027.db2.gz LUSGRZWFTINLIL-UHFFFAOYSA-N 0 3 222.332 3.104 20 0 BGADHN CC1(NCc2cnc(C3CC3)o2)CCCCC1 ZINC000628200493 344972046 /nfs/dbraw/zinc/97/20/46/344972046.db2.gz OUGNYZWCQYQETR-UHFFFAOYSA-N 0 3 234.343 3.364 20 0 BGADHN c1nc(C2CC2)oc1CNCCC1CCCC1 ZINC000628201173 344974334 /nfs/dbraw/zinc/97/43/34/344974334.db2.gz UWXMUUZUERPFJB-UHFFFAOYSA-N 0 3 234.343 3.222 20 0 BGADHN Cc1ncc(CNC(C)(C)CC(C)(C)C)o1 ZINC000628201854 344977441 /nfs/dbraw/zinc/97/74/41/344977441.db2.gz YQIFMKXNMUGIQI-UHFFFAOYSA-N 0 3 224.348 3.287 20 0 BGADHN CCCC(C)(C)NCc1cnc(C2CC2)o1 ZINC000628212096 345853861 /nfs/dbraw/zinc/85/38/61/345853861.db2.gz IZODQZWZWMRSKM-UHFFFAOYSA-N 0 3 222.332 3.220 20 0 BGADHN Cc1ncc(CNC2(C)CCC(C)CC2)o1 ZINC000628212129 345854273 /nfs/dbraw/zinc/85/42/73/345854273.db2.gz LQVLZTODBJOBIS-UHFFFAOYSA-N 0 3 222.332 3.041 20 0 BGADHN CC(C)C(C)(C)NCc1cnc(C2CC2)o1 ZINC000628212161 345854145 /nfs/dbraw/zinc/85/41/45/345854145.db2.gz PKOHGTVIGLJSQV-UHFFFAOYSA-N 0 3 222.332 3.076 20 0 BGADHN Cc1ncc(CNCCCCC(C)(C)C)o1 ZINC000628213442 345873758 /nfs/dbraw/zinc/87/37/58/345873758.db2.gz KTBYNSIENZKQMB-UHFFFAOYSA-N 0 3 224.348 3.289 20 0 BGADHN CCC1CCC(CNCc2cnc(C)o2)CC1 ZINC000628213918 345876383 /nfs/dbraw/zinc/87/63/83/345876383.db2.gz DDIIBIDXALNGHN-UHFFFAOYSA-N 0 3 236.359 3.289 20 0 BGADHN C[C@H]1CC[C@H](NCc2cnc(C3CC3)o2)CC1 ZINC000628214399 345897137 /nfs/dbraw/zinc/89/71/37/345897137.db2.gz VYYPIZJSNGPOBU-UMSPYCQHSA-N 0 3 234.343 3.220 20 0 BGADHN Cc1ncc(CNCC[C@@H]2CCC[C@H](C)C2)o1 ZINC000628214786 345906892 /nfs/dbraw/zinc/90/68/92/345906892.db2.gz MVAMNOKGHSOXSV-AAEUAGOBSA-N 0 3 236.359 3.289 20 0 BGADHN Cc1ncc(CNCC[C@H]2CCC[C@@H](C)C2)o1 ZINC000628214787 345906986 /nfs/dbraw/zinc/90/69/86/345906986.db2.gz MVAMNOKGHSOXSV-DGCLKSJQSA-N 0 3 236.359 3.289 20 0 BGADHN Cc1ncc(CNCC[C@H]2CCC[C@H](C)C2)o1 ZINC000628214788 345907122 /nfs/dbraw/zinc/90/71/22/345907122.db2.gz MVAMNOKGHSOXSV-WCQYABFASA-N 0 3 236.359 3.289 20 0 BGADHN Cc1ncc(CNCC[C@@H]2CCC[C@@H](C)C2)o1 ZINC000628214789 345907158 /nfs/dbraw/zinc/90/71/58/345907158.db2.gz MVAMNOKGHSOXSV-YPMHNXCESA-N 0 3 236.359 3.289 20 0 BGADHN CC1(CNCc2cnc(C3CC3)o2)CCCC1 ZINC000628214844 345907317 /nfs/dbraw/zinc/90/73/17/345907317.db2.gz OVLYTWAGJOWYHG-UHFFFAOYSA-N 0 3 234.343 3.222 20 0 BGADHN CCC(C)(CC)NCc1cnc(C2CC2)o1 ZINC000628215367 345916592 /nfs/dbraw/zinc/91/65/92/345916592.db2.gz HADCASOUPABCSW-UHFFFAOYSA-N 0 3 222.332 3.220 20 0 BGADHN Cc1ncc(CNCC[C@@H]2CCCC[C@@H]2C)o1 ZINC000628217300 345930035 /nfs/dbraw/zinc/93/00/35/345930035.db2.gz RPMPQODNSKDSCZ-AAEUAGOBSA-N 0 3 236.359 3.289 20 0 BGADHN Cc1ncc(CNCC[C@H]2CCCC[C@H]2C)o1 ZINC000628217301 345929978 /nfs/dbraw/zinc/92/99/78/345929978.db2.gz RPMPQODNSKDSCZ-DGCLKSJQSA-N 0 3 236.359 3.289 20 0 BGADHN Cc1ncc(CNCC[C@H]2CCCC[C@@H]2C)o1 ZINC000628217302 345930108 /nfs/dbraw/zinc/93/01/08/345930108.db2.gz RPMPQODNSKDSCZ-WCQYABFASA-N 0 3 236.359 3.289 20 0 BGADHN Cc1ncc(CNCC[C@@H]2CCCC[C@H]2C)o1 ZINC000628217303 345930076 /nfs/dbraw/zinc/93/00/76/345930076.db2.gz RPMPQODNSKDSCZ-YPMHNXCESA-N 0 3 236.359 3.289 20 0 BGADHN Cc1ncc(CN[C@@H]2CC[C@H]3CCC[C@H]3C2)o1 ZINC000628217304 345930051 /nfs/dbraw/zinc/93/00/51/345930051.db2.gz RPTQCBSULQAKPC-FRRDWIJNSA-N 0 3 234.343 3.041 20 0 BGADHN Cc1ncc(CN[C@@H]2CC[C@H]3CCC[C@@H]3C2)o1 ZINC000628217305 345930096 /nfs/dbraw/zinc/93/00/96/345930096.db2.gz RPTQCBSULQAKPC-JHJVBQTASA-N 0 3 234.343 3.041 20 0 BGADHN Cc1ncc(CN[C@@H]2CC[C@@H]3CCC[C@H]3C2)o1 ZINC000628217306 345930116 /nfs/dbraw/zinc/93/01/16/345930116.db2.gz RPTQCBSULQAKPC-RWMBFGLXSA-N 0 3 234.343 3.041 20 0 BGADHN Cc1ncc(CN[C@@H]2CC[C@@H]3CCC[C@@H]3C2)o1 ZINC000628217307 345929903 /nfs/dbraw/zinc/92/99/03/345929903.db2.gz RPTQCBSULQAKPC-YNEHKIRRSA-N 0 3 234.343 3.041 20 0 BGADHN CCC(CC)(CC)NCc1cnc(C)o1 ZINC000628217338 345930642 /nfs/dbraw/zinc/93/06/42/345930642.db2.gz SXVOTKAFDNVAIO-UHFFFAOYSA-N 0 3 210.321 3.041 20 0 BGADHN Cc1nc(C)c(CN[C@@H]2CC[C@@H]3CCC[C@@H]3C2)o1 ZINC000628217419 345931305 /nfs/dbraw/zinc/93/13/05/345931305.db2.gz WFKFNYLSSAMOHP-BFHYXJOUSA-N 0 3 248.370 3.350 20 0 BGADHN Cc1nc(C)c(CN[C@@H]2CC[C@H]3CCC[C@H]3C2)o1 ZINC000628217420 345931251 /nfs/dbraw/zinc/93/12/51/345931251.db2.gz WFKFNYLSSAMOHP-HZSPNIEDSA-N 0 3 248.370 3.350 20 0 BGADHN Cc1nc(C)c(CN[C@@H]2CC[C@@H]3CCC[C@H]3C2)o1 ZINC000628217421 345931393 /nfs/dbraw/zinc/93/13/93/345931393.db2.gz WFKFNYLSSAMOHP-MELADBBJSA-N 0 3 248.370 3.350 20 0 BGADHN Cc1nc(C)c(CN[C@@H]2CC[C@H]3CCC[C@@H]3C2)o1 ZINC000628217422 345931216 /nfs/dbraw/zinc/93/12/16/345931216.db2.gz WFKFNYLSSAMOHP-MGPQQGTHSA-N 0 3 248.370 3.350 20 0 BGADHN CC(C)(C)CCCNCc1cnc(C2CC2)o1 ZINC000628217553 345944298 /nfs/dbraw/zinc/94/42/98/345944298.db2.gz BNMKRSMMXBWEJI-UHFFFAOYSA-N 0 3 236.359 3.468 20 0 BGADHN Cc1ncc(CNC[C@@H](C)c2ccc(C)cc2)o1 ZINC000628217580 345944142 /nfs/dbraw/zinc/94/41/42/345944142.db2.gz CJFIZASBWOZGSU-GFCCVEGCSA-N 0 3 244.338 3.185 20 0 BGADHN Cc1ncc(CNC[C@H](C)c2ccc(C)cc2)o1 ZINC000628217581 345944243 /nfs/dbraw/zinc/94/42/43/345944243.db2.gz CJFIZASBWOZGSU-LBPRGKRZSA-N 0 3 244.338 3.185 20 0 BGADHN Cc1ncc(CNC[C@@H](C)c2cccc(C)c2)o1 ZINC000628218938 345947934 /nfs/dbraw/zinc/94/79/34/345947934.db2.gz VUDWABNPKKUHOI-GFCCVEGCSA-N 0 3 244.338 3.185 20 0 BGADHN Cc1ncc(CNC[C@H](C)c2cccc(C)c2)o1 ZINC000628218939 345947887 /nfs/dbraw/zinc/94/78/87/345947887.db2.gz VUDWABNPKKUHOI-LBPRGKRZSA-N 0 3 244.338 3.185 20 0 BGADHN Cc1ncc(CNCCCCC2CCCC2)o1 ZINC000628220600 345951701 /nfs/dbraw/zinc/95/17/01/345951701.db2.gz CEIHTUJPIMPQKM-UHFFFAOYSA-N 0 3 236.359 3.433 20 0 BGADHN CC[C@@H](C)C[C@@H](C)NCc1cnc(C2CC2)o1 ZINC000628222051 345959889 /nfs/dbraw/zinc/95/98/89/345959889.db2.gz FTRXZDHGYIVDBI-GHMZBOCLSA-N 0 3 236.359 3.466 20 0 BGADHN CC[C@@H](C)C[C@H](C)NCc1cnc(C2CC2)o1 ZINC000628222052 345960003 /nfs/dbraw/zinc/96/00/03/345960003.db2.gz FTRXZDHGYIVDBI-MNOVXSKESA-N 0 3 236.359 3.466 20 0 BGADHN CC[C@H](C)C[C@H](C)NCc1cnc(C2CC2)o1 ZINC000628222053 345959806 /nfs/dbraw/zinc/95/98/06/345959806.db2.gz FTRXZDHGYIVDBI-QWRGUYRKSA-N 0 3 236.359 3.466 20 0 BGADHN CC[C@H](C)C[C@@H](C)NCc1cnc(C2CC2)o1 ZINC000628222054 345959844 /nfs/dbraw/zinc/95/98/44/345959844.db2.gz FTRXZDHGYIVDBI-WDEREUQCSA-N 0 3 236.359 3.466 20 0 BGADHN CC[C@@H](C)C[C@@H](C)NCc1oc(C)nc1C ZINC000628222135 345960041 /nfs/dbraw/zinc/96/00/41/345960041.db2.gz HMMKNPJPWRMHNQ-NXEZZACHSA-N 0 3 224.348 3.206 20 0 BGADHN CC[C@H](C)C[C@H](C)NCc1oc(C)nc1C ZINC000628222136 345959740 /nfs/dbraw/zinc/95/97/40/345959740.db2.gz HMMKNPJPWRMHNQ-UWVGGRQHSA-N 0 3 224.348 3.206 20 0 BGADHN CC[C@H](C)C[C@@H](C)NCc1oc(C)nc1C ZINC000628222137 345959864 /nfs/dbraw/zinc/95/98/64/345959864.db2.gz HMMKNPJPWRMHNQ-VHSXEESVSA-N 0 3 224.348 3.206 20 0 BGADHN CC[C@@H](C)C[C@H](C)NCc1oc(C)nc1C ZINC000628222138 345959836 /nfs/dbraw/zinc/95/98/36/345959836.db2.gz HMMKNPJPWRMHNQ-ZJUUUORDSA-N 0 3 224.348 3.206 20 0 BGADHN c1nc(C2CC2)oc1CNCC(C1CC1)C1CC1 ZINC000628223611 345964980 /nfs/dbraw/zinc/96/49/80/345964980.db2.gz LGEMLYTUSQPQLY-UHFFFAOYSA-N 0 3 246.354 3.078 20 0 BGADHN CC(C)C1(CNCc2cnc(C3CC3)o2)CC1 ZINC000628224774 346171860 /nfs/dbraw/zinc/17/18/60/346171860.db2.gz AAVZOBPQAFBPDE-UHFFFAOYSA-N 0 3 234.343 3.078 20 0 BGADHN CCC1(CNCc2cnc(C3CC3)o2)CCC1 ZINC000628227195 346174551 /nfs/dbraw/zinc/17/45/51/346174551.db2.gz WBCJGBWGELGEMD-UHFFFAOYSA-N 0 3 234.343 3.222 20 0 BGADHN Cc1ncc(CNCC(C)(C)CC(C)C)o1 ZINC000628227317 346175733 /nfs/dbraw/zinc/17/57/33/346175733.db2.gz BGNPBQIUCCLLLK-UHFFFAOYSA-N 0 3 224.348 3.145 20 0 BGADHN Cc1nc(C)c(CNCC(C)(C)CC(C)C)o1 ZINC000628227351 346175700 /nfs/dbraw/zinc/17/57/00/346175700.db2.gz CDADOWKMHCLQAC-UHFFFAOYSA-N 0 3 238.375 3.453 20 0 BGADHN Cc1nc(C)c(CNCC2(CC(C)C)CC2)o1 ZINC000628228039 346180621 /nfs/dbraw/zinc/18/06/21/346180621.db2.gz AYQYVKPYCOBNBS-UHFFFAOYSA-N 0 3 236.359 3.207 20 0 BGADHN CC(C)CC1(CNCc2cnc(C3CC3)o2)CC1 ZINC000628228131 346181028 /nfs/dbraw/zinc/18/10/28/346181028.db2.gz DXBVHZKNFSRTHV-UHFFFAOYSA-N 0 3 248.370 3.468 20 0 BGADHN CCC1(CNCc2oc(C)nc2C)CCCC1 ZINC000628228338 346181004 /nfs/dbraw/zinc/18/10/04/346181004.db2.gz LCFUIVZPEASMDQ-UHFFFAOYSA-N 0 3 236.359 3.351 20 0 BGADHN c1nc(C2CC2)oc1CN[C@H]1CC2CCC1CC2 ZINC000628228339 346180711 /nfs/dbraw/zinc/18/07/11/346180711.db2.gz LCTPIIDIPLRDRV-MGULZYLOSA-N 0 3 246.354 3.220 20 0 BGADHN c1nc(C2CC2)oc1CN[C@@H]1CC2CCC1CC2 ZINC000628228340 346180722 /nfs/dbraw/zinc/18/07/22/346180722.db2.gz LCTPIIDIPLRDRV-QIMFLAQGSA-N 0 3 246.354 3.220 20 0 BGADHN Cc1ncc(CNCC2(CC(C)C)CCC2)o1 ZINC000628228390 346180884 /nfs/dbraw/zinc/18/08/84/346180884.db2.gz MYVKZKYBZISADW-UHFFFAOYSA-N 0 3 236.359 3.289 20 0 BGADHN CCC1(CNCc2cnc(C)o2)CCCC1 ZINC000628228477 346180674 /nfs/dbraw/zinc/18/06/74/346180674.db2.gz PJKBKFANWKHTPO-UHFFFAOYSA-N 0 3 222.332 3.043 20 0 BGADHN CCCC1(CNCc2cnc(C)o2)CCC1 ZINC000628228683 346181686 /nfs/dbraw/zinc/18/16/86/346181686.db2.gz WQZOLOJVBGJUFD-UHFFFAOYSA-N 0 3 222.332 3.043 20 0 BGADHN CCCC1(CNCc2oc(C)nc2C)CCC1 ZINC000628228713 346181585 /nfs/dbraw/zinc/18/15/85/346181585.db2.gz XJDDHAIFFKSAQO-UHFFFAOYSA-N 0 3 236.359 3.351 20 0 BGADHN CC(C)C(NCc1cnc(C2CC2)o1)C(C)C ZINC000628228860 346177751 /nfs/dbraw/zinc/17/77/51/346177751.db2.gz CGQGGUSKWVNYOV-UHFFFAOYSA-N 0 3 236.359 3.322 20 0 BGADHN CCCC1(CNCc2cnc(C3CC3)o2)CC1 ZINC000628229523 346178464 /nfs/dbraw/zinc/17/84/64/346178464.db2.gz YHKDXVCINYXNAV-UHFFFAOYSA-N 0 3 234.343 3.222 20 0 BGADHN c1nc(C2CC2)oc1CNCC1(C2CC2)CCC1 ZINC000628229734 346179035 /nfs/dbraw/zinc/17/90/35/346179035.db2.gz GRBHILMMUQYSNQ-UHFFFAOYSA-N 0 3 246.354 3.222 20 0 BGADHN c1nc(C2CC2)oc1CNCCC1=CCCC1 ZINC000628230441 346183617 /nfs/dbraw/zinc/18/36/17/346183617.db2.gz GPCGBRKDLHAASY-UHFFFAOYSA-N 0 3 232.327 3.142 20 0 BGADHN Cc1ncc(CNCC(C)(C)C2CCCC2)o1 ZINC000628230505 346183539 /nfs/dbraw/zinc/18/35/39/346183539.db2.gz IWCAEICFBWTVNX-UHFFFAOYSA-N 0 3 236.359 3.289 20 0 BGADHN Cc1cc(C)nc(NC[C@@]2(C)CCCS2)c1 ZINC000628230796 346181931 /nfs/dbraw/zinc/18/19/31/346181931.db2.gz SVUDCGOIOLOABE-CYBMUJFWSA-N 0 3 236.384 3.396 20 0 BGADHN Cc1cc(C)nc(NC[C@]2(C)CCCS2)c1 ZINC000628230797 346181942 /nfs/dbraw/zinc/18/19/42/346181942.db2.gz SVUDCGOIOLOABE-ZDUSSCGKSA-N 0 3 236.384 3.396 20 0 BGADHN Cc1cc(C)nc(NCc2cnc(C3CC3)o2)c1 ZINC000628230818 346182257 /nfs/dbraw/zinc/18/22/57/346182257.db2.gz VAIADLFUMDYIRP-UHFFFAOYSA-N 0 3 243.310 3.176 20 0 BGADHN CC[C@H]1CCCC[C@H]1CNCc1cc(C)ncn1 ZINC000628231238 346182861 /nfs/dbraw/zinc/18/28/61/346182861.db2.gz IWBJLRBSQSFQPD-KBPBESRZSA-N 0 3 247.386 3.091 20 0 BGADHN CC[C@@H]1CCCC[C@H]1CNCc1cc(C)ncn1 ZINC000628231239 346182821 /nfs/dbraw/zinc/18/28/21/346182821.db2.gz IWBJLRBSQSFQPD-KGLIPLIRSA-N 0 3 247.386 3.091 20 0 BGADHN CC[C@H]1CCCC[C@@H]1CNCc1cc(C)ncn1 ZINC000628231240 346182583 /nfs/dbraw/zinc/18/25/83/346182583.db2.gz IWBJLRBSQSFQPD-UONOGXRCSA-N 0 3 247.386 3.091 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1CNCc1cc(C)ncn1 ZINC000628231241 346182867 /nfs/dbraw/zinc/18/28/67/346182867.db2.gz IWBJLRBSQSFQPD-ZIAGYGMSSA-N 0 3 247.386 3.091 20 0 BGADHN c1nc(C2CC2)oc1CNCC12CCC(CC1)C2 ZINC000628231475 346182940 /nfs/dbraw/zinc/18/29/40/346182940.db2.gz QAVUBEDHWGEBQP-UHFFFAOYSA-N 0 3 246.354 3.222 20 0 BGADHN Cc1ncc(CNC23CC4CC(CC(C4)C2)C3)o1 ZINC000628231835 346184806 /nfs/dbraw/zinc/18/48/06/346184806.db2.gz CRZTVJVDNZYIDG-UHFFFAOYSA-N 0 3 246.354 3.041 20 0 BGADHN Cc1cc(CNC[C@@H](C)c2ccc(C)cc2)on1 ZINC000628233424 398345255 /nfs/dbraw/zinc/34/52/55/398345255.db2.gz BNBDGTMFZKDLFG-GFCCVEGCSA-N 0 3 244.338 3.185 20 0 BGADHN Cc1cc(CNC[C@H](C)c2ccc(C)cc2)on1 ZINC000628233425 398345232 /nfs/dbraw/zinc/34/52/32/398345232.db2.gz BNBDGTMFZKDLFG-LBPRGKRZSA-N 0 3 244.338 3.185 20 0 BGADHN Cc1ncc(CN[C@H]2C[C@H]2C2CCCCC2)o1 ZINC000628233558 346192554 /nfs/dbraw/zinc/19/25/54/346192554.db2.gz JLFPNTNNRJMPFW-KBPBESRZSA-N 0 3 234.343 3.041 20 0 BGADHN Cc1ncc(CN[C@H]2C[C@@H]2C2CCCCC2)o1 ZINC000628233559 346192563 /nfs/dbraw/zinc/19/25/63/346192563.db2.gz JLFPNTNNRJMPFW-KGLIPLIRSA-N 0 3 234.343 3.041 20 0 BGADHN Cc1ncc(CN[C@@H]2C[C@H]2C2CCCCC2)o1 ZINC000628233560 346192502 /nfs/dbraw/zinc/19/25/02/346192502.db2.gz JLFPNTNNRJMPFW-UONOGXRCSA-N 0 3 234.343 3.041 20 0 BGADHN Cc1ncc(CN[C@@H]2C[C@@H]2C2CCCCC2)o1 ZINC000628233561 346192807 /nfs/dbraw/zinc/19/28/07/346192807.db2.gz JLFPNTNNRJMPFW-ZIAGYGMSSA-N 0 3 234.343 3.041 20 0 BGADHN Cc1nc(C)c(CN[C@H]2C[C@H]2C2CCCCC2)o1 ZINC000628233668 346192346 /nfs/dbraw/zinc/19/23/46/346192346.db2.gz PHTWBUUHHZGTQQ-KBPBESRZSA-N 0 3 248.370 3.350 20 0 BGADHN Cc1nc(C)c(CN[C@H]2C[C@@H]2C2CCCCC2)o1 ZINC000628233669 346192629 /nfs/dbraw/zinc/19/26/29/346192629.db2.gz PHTWBUUHHZGTQQ-KGLIPLIRSA-N 0 3 248.370 3.350 20 0 BGADHN Cc1nc(C)c(CN[C@@H]2C[C@H]2C2CCCCC2)o1 ZINC000628233670 346192791 /nfs/dbraw/zinc/19/27/91/346192791.db2.gz PHTWBUUHHZGTQQ-UONOGXRCSA-N 0 3 248.370 3.350 20 0 BGADHN Cc1nc(C)c(CN[C@@H]2C[C@@H]2C2CCCCC2)o1 ZINC000628233671 346192799 /nfs/dbraw/zinc/19/27/99/346192799.db2.gz PHTWBUUHHZGTQQ-ZIAGYGMSSA-N 0 3 248.370 3.350 20 0 BGADHN Cc1nc(CN2C[C@H](C)[C@@H]3CCCC[C@@H]32)[nH]c1C ZINC000628236636 346191502 /nfs/dbraw/zinc/19/15/02/346191502.db2.gz JNJSFTIPZTWRJO-BPNCWPANSA-N 0 3 247.386 3.037 20 0 BGADHN Cc1nc(CN2C[C@H](C)[C@H]3CCCC[C@@H]32)[nH]c1C ZINC000628236637 346191801 /nfs/dbraw/zinc/19/18/01/346191801.db2.gz JNJSFTIPZTWRJO-GDLCADMTSA-N 0 3 247.386 3.037 20 0 BGADHN Cc1nc(CN2C[C@H](C)[C@@H]3CCCC[C@H]32)[nH]c1C ZINC000628236638 346191456 /nfs/dbraw/zinc/19/14/56/346191456.db2.gz JNJSFTIPZTWRJO-LEWSCRJBSA-N 0 3 247.386 3.037 20 0 BGADHN Cc1nc(CN2C[C@H](C)[C@H]3CCCC[C@H]32)[nH]c1C ZINC000628236639 346191592 /nfs/dbraw/zinc/19/15/92/346191592.db2.gz JNJSFTIPZTWRJO-ZLKJLUDKSA-N 0 3 247.386 3.037 20 0 BGADHN CC(C)(C)[C@@H]1CCN(Cc2cnc(C3CC3)o2)C1 ZINC000628237097 346193329 /nfs/dbraw/zinc/19/33/29/346193329.db2.gz AUJLMJFPFRBBBL-GFCCVEGCSA-N 0 3 248.370 3.420 20 0 BGADHN CC(C)(C)[C@H]1CCN(Cc2cnc(C3CC3)o2)C1 ZINC000628237098 346193159 /nfs/dbraw/zinc/19/31/59/346193159.db2.gz AUJLMJFPFRBBBL-LBPRGKRZSA-N 0 3 248.370 3.420 20 0 BGADHN CN(Cc1cnc(C2CC2)o1)C[C@@H]1CC=CCC1 ZINC000628237295 346193146 /nfs/dbraw/zinc/19/31/46/346193146.db2.gz INDYRUUZQBHDDQ-GFCCVEGCSA-N 0 3 246.354 3.340 20 0 BGADHN CN(Cc1cnc(C2CC2)o1)C[C@H]1CC=CCC1 ZINC000628237296 346193365 /nfs/dbraw/zinc/19/33/65/346193365.db2.gz INDYRUUZQBHDDQ-LBPRGKRZSA-N 0 3 246.354 3.340 20 0 BGADHN C[C@H]1CN(Cc2cnc(C3CC3)o2)CC(C)(C)C1 ZINC000628237459 346193040 /nfs/dbraw/zinc/19/30/40/346193040.db2.gz NYOJQCWSUCDCME-LLVKDONJSA-N 0 3 248.370 3.420 20 0 BGADHN C[C@@H]1CN(Cc2cnc(C3CC3)o2)CC(C)(C)C1 ZINC000628237460 346193404 /nfs/dbraw/zinc/19/34/04/346193404.db2.gz NYOJQCWSUCDCME-NSHDSACASA-N 0 3 248.370 3.420 20 0 BGADHN CCC[C@@H]1CCCCN1Cc1cnc(C)o1 ZINC000628238306 346195157 /nfs/dbraw/zinc/19/51/57/346195157.db2.gz TULGENVSWAZLMD-GFCCVEGCSA-N 0 3 222.332 3.138 20 0 BGADHN CCC[C@H]1CCCCN1Cc1cnc(C)o1 ZINC000628238307 346195006 /nfs/dbraw/zinc/19/50/06/346195006.db2.gz TULGENVSWAZLMD-LBPRGKRZSA-N 0 3 222.332 3.138 20 0 BGADHN CCN(CCC1CC1)Cc1cnc(C2CC2)o1 ZINC000628238937 346198420 /nfs/dbraw/zinc/19/84/20/346198420.db2.gz VLIZUDUEGBSYJX-UHFFFAOYSA-N 0 3 234.343 3.174 20 0 BGADHN C[C@@H]1CCN(Cc2cnc(C3CC3)o2)CC1(C)C ZINC000628238975 346198506 /nfs/dbraw/zinc/19/85/06/346198506.db2.gz XFNGRQDNDKXWJD-LLVKDONJSA-N 0 3 248.370 3.420 20 0 BGADHN C[C@H]1CCN(Cc2cnc(C3CC3)o2)CC1(C)C ZINC000628238976 346198729 /nfs/dbraw/zinc/19/87/29/346198729.db2.gz XFNGRQDNDKXWJD-NSHDSACASA-N 0 3 248.370 3.420 20 0 BGADHN CCC1(CNCc2cnc(C)o2)CCCCC1 ZINC000628239461 346200509 /nfs/dbraw/zinc/20/05/09/346200509.db2.gz RYFJHPFKPMBVTN-UHFFFAOYSA-N 0 3 236.359 3.433 20 0 BGADHN Cc1ncc(CNCCC2=CCCCCC2)o1 ZINC000628239664 346200544 /nfs/dbraw/zinc/20/05/44/346200544.db2.gz ZRDNPATUIRXVPV-UHFFFAOYSA-N 0 3 234.343 3.353 20 0 BGADHN Cc1ncc(CN2CC(C)(C)CC(C)(C)C2)o1 ZINC000628240007 346201333 /nfs/dbraw/zinc/20/13/33/346201333.db2.gz MVFMLOXGHVDMMM-UHFFFAOYSA-N 0 3 236.359 3.241 20 0 BGADHN CC[C@H]1[C@@H](C)CCN1Cc1cnc(C2CC2)o1 ZINC000628240344 346202404 /nfs/dbraw/zinc/20/24/04/346202404.db2.gz AORRTMBIRTXRSD-GWCFXTLKSA-N 0 3 234.343 3.172 20 0 BGADHN CC[C@@H]1[C@@H](C)CCN1Cc1cnc(C2CC2)o1 ZINC000628240345 346202677 /nfs/dbraw/zinc/20/26/77/346202677.db2.gz AORRTMBIRTXRSD-GXFFZTMASA-N 0 3 234.343 3.172 20 0 BGADHN CC[C@H]1[C@H](C)CCN1Cc1cnc(C2CC2)o1 ZINC000628240346 346202662 /nfs/dbraw/zinc/20/26/62/346202662.db2.gz AORRTMBIRTXRSD-MFKMUULPSA-N 0 3 234.343 3.172 20 0 BGADHN CC[C@@H]1[C@H](C)CCN1Cc1cnc(C2CC2)o1 ZINC000628240347 346202578 /nfs/dbraw/zinc/20/25/78/346202578.db2.gz AORRTMBIRTXRSD-ZWNOBZJWSA-N 0 3 234.343 3.172 20 0 BGADHN C[C@@H]1CCCCN(Cc2cnc(C3CC3)o2)C1 ZINC000628240348 346202840 /nfs/dbraw/zinc/20/28/40/346202840.db2.gz APVHXYYTSNTPPN-LLVKDONJSA-N 0 3 234.343 3.174 20 0 BGADHN C[C@H]1CCCCN(Cc2cnc(C3CC3)o2)C1 ZINC000628240349 346202598 /nfs/dbraw/zinc/20/25/98/346202598.db2.gz APVHXYYTSNTPPN-NSHDSACASA-N 0 3 234.343 3.174 20 0 BGADHN CCC1(CC)CCN(Cc2cnc(C)o2)CC1 ZINC000628241031 346204131 /nfs/dbraw/zinc/20/41/31/346204131.db2.gz FRWBMBJUCMOQAD-UHFFFAOYSA-N 0 3 236.359 3.385 20 0 BGADHN Cc1ncc(CN2CCC(C)(C(C)C)CC2)o1 ZINC000628241983 346201743 /nfs/dbraw/zinc/20/17/43/346201743.db2.gz NZADXVLHYRMZEX-UHFFFAOYSA-N 0 3 236.359 3.241 20 0 BGADHN CC1(C)CC(CNCc2cnc(C3CC3)o2)C1 ZINC000628243821 346207738 /nfs/dbraw/zinc/20/77/38/346207738.db2.gz HZXPSPJXCUQGLA-UHFFFAOYSA-N 0 3 234.343 3.078 20 0 BGADHN CC(C)[C@@H]1CCCN(Cc2cnc(C3CC3)o2)C1 ZINC000628244258 346206195 /nfs/dbraw/zinc/20/61/95/346206195.db2.gz ZDIKURJLDJQKFK-CYBMUJFWSA-N 0 3 248.370 3.420 20 0 BGADHN CC(C)[C@H]1CCCN(Cc2cnc(C3CC3)o2)C1 ZINC000628244259 346206352 /nfs/dbraw/zinc/20/63/52/346206352.db2.gz ZDIKURJLDJQKFK-ZDUSSCGKSA-N 0 3 248.370 3.420 20 0 BGADHN Cc1nc(C)c(CNCC(C)(C)C(C)C)o1 ZINC000628244593 346208941 /nfs/dbraw/zinc/20/89/41/346208941.db2.gz NTPLVQZERZRGPW-UHFFFAOYSA-N 0 3 224.348 3.063 20 0 BGADHN CC(C)C(C)(C)CNCc1cnc(C2CC2)o1 ZINC000628244828 346209366 /nfs/dbraw/zinc/20/93/66/346209366.db2.gz XGCGVMGIGIXYNW-UHFFFAOYSA-N 0 3 236.359 3.324 20 0 BGADHN C[C@@H]1C[C@H](C)[C@@H](C)N(Cc2cnc(C3CC3)o2)C1 ZINC000628249884 346218545 /nfs/dbraw/zinc/21/85/45/346218545.db2.gz VKFQGEWWDNOGAZ-GRYCIOLGSA-N 0 3 248.370 3.418 20 0 BGADHN C[C@@H]1C[C@@H](C)[C@@H](C)N(Cc2cnc(C3CC3)o2)C1 ZINC000628249885 346219143 /nfs/dbraw/zinc/21/91/43/346219143.db2.gz VKFQGEWWDNOGAZ-IJLUTSLNSA-N 0 3 248.370 3.418 20 0 BGADHN C[C@@H]1C[C@@H](C)[C@H](C)N(Cc2cnc(C3CC3)o2)C1 ZINC000628249886 346218576 /nfs/dbraw/zinc/21/85/76/346218576.db2.gz VKFQGEWWDNOGAZ-UTUOFQBUSA-N 0 3 248.370 3.418 20 0 BGADHN C[C@@H]1C[C@H](C)[C@H](C)N(Cc2cnc(C3CC3)o2)C1 ZINC000628249887 346218734 /nfs/dbraw/zinc/21/87/34/346218734.db2.gz VKFQGEWWDNOGAZ-WOPDTQHZSA-N 0 3 248.370 3.418 20 0 BGADHN Cc1nc(CN(CC2CCC2)C(C)C)[nH]c1C ZINC000628252690 346228714 /nfs/dbraw/zinc/22/87/14/346228714.db2.gz DDVYMWSOWJUJNK-UHFFFAOYSA-N 0 3 235.375 3.037 20 0 BGADHN Cc1nc(C)c(CNC2CCC3(CC3)CC2)o1 ZINC000628253116 346227615 /nfs/dbraw/zinc/22/76/15/346227615.db2.gz UYPAQVSXLKEQPA-UHFFFAOYSA-N 0 3 234.343 3.104 20 0 BGADHN C[C@@H]1CC2(CCC2)CN1Cc1cnc(C2CC2)o1 ZINC000628253122 346227510 /nfs/dbraw/zinc/22/75/10/346227510.db2.gz VEQIZFDZLUXBJS-LLVKDONJSA-N 0 3 246.354 3.317 20 0 BGADHN C[C@H]1CC2(CCC2)CN1Cc1cnc(C2CC2)o1 ZINC000628253123 346227541 /nfs/dbraw/zinc/22/75/41/346227541.db2.gz VEQIZFDZLUXBJS-NSHDSACASA-N 0 3 246.354 3.317 20 0 BGADHN Cc1ncc(CN[C@H](C)CC2CCCCC2)o1 ZINC000628253702 346229729 /nfs/dbraw/zinc/22/97/29/346229729.db2.gz STBDBMUHILHCOQ-LLVKDONJSA-N 0 3 236.359 3.432 20 0 BGADHN Cc1ncc(CN[C@@H](C)CC2CCCCC2)o1 ZINC000628253703 346229581 /nfs/dbraw/zinc/22/95/81/346229581.db2.gz STBDBMUHILHCOQ-NSHDSACASA-N 0 3 236.359 3.432 20 0 BGADHN Cc1ncc(CN(C)[C@@H](C)C2CCCCC2)o1 ZINC000628253806 346231687 /nfs/dbraw/zinc/23/16/87/346231687.db2.gz YBHVKYYTZPNSFJ-NSHDSACASA-N 0 3 236.359 3.384 20 0 BGADHN CN(Cc1cnc(C2CC2)o1)C1(C)CCCC1 ZINC000628254201 346234823 /nfs/dbraw/zinc/23/48/23/346234823.db2.gz RPZRMGYNULPGNB-UHFFFAOYSA-N 0 3 234.343 3.317 20 0 BGADHN CC(C)C1CN(Cc2ccc3[nH]ccc3c2)C1 ZINC000628254664 346237385 /nfs/dbraw/zinc/23/73/85/346237385.db2.gz KOLMZARKUYUZLH-UHFFFAOYSA-N 0 3 228.339 3.256 20 0 BGADHN CC(C)C1CN(Cc2ccc3cc[nH]c3c2)C1 ZINC000628254989 346238860 /nfs/dbraw/zinc/23/88/60/346238860.db2.gz XKTBLLAJRBNDGM-UHFFFAOYSA-N 0 3 228.339 3.256 20 0 BGADHN Cc1ncc(CNCC2(C)CCC(C)CC2)o1 ZINC000628255733 346249303 /nfs/dbraw/zinc/24/93/03/346249303.db2.gz VVXFQJUJTXSTTB-UHFFFAOYSA-N 0 3 236.359 3.289 20 0 BGADHN C[C@@H]1C[C@@H](C)N1Cc1ccc2[nH]ccc2c1 ZINC000628255823 346249472 /nfs/dbraw/zinc/24/94/72/346249472.db2.gz ZALIUGYETRGLJA-GHMZBOCLSA-N 0 3 214.312 3.151 20 0 BGADHN C[C@@H]1C[C@H](C)N1Cc1ccc2[nH]ccc2c1 ZINC000628255824 346249086 /nfs/dbraw/zinc/24/90/86/346249086.db2.gz ZALIUGYETRGLJA-PHIMTYICSA-N 0 3 214.312 3.151 20 0 BGADHN C[C@H]1C[C@H](C)N1Cc1ccc2[nH]ccc2c1 ZINC000628255825 346249527 /nfs/dbraw/zinc/24/95/27/346249527.db2.gz ZALIUGYETRGLJA-QWRGUYRKSA-N 0 3 214.312 3.151 20 0 BGADHN C[C@@H]1CC[C@@H](CNCc2cnc(C3CC3)o2)C1 ZINC000628256120 346253637 /nfs/dbraw/zinc/25/36/37/346253637.db2.gz KEBFZVOQGBUIGW-GHMZBOCLSA-N 0 3 234.343 3.078 20 0 BGADHN C[C@@H]1CC[C@H](CNCc2cnc(C3CC3)o2)C1 ZINC000628256121 346253566 /nfs/dbraw/zinc/25/35/66/346253566.db2.gz KEBFZVOQGBUIGW-MNOVXSKESA-N 0 3 234.343 3.078 20 0 BGADHN C[C@H]1CC[C@H](CNCc2cnc(C3CC3)o2)C1 ZINC000628256122 346253729 /nfs/dbraw/zinc/25/37/29/346253729.db2.gz KEBFZVOQGBUIGW-QWRGUYRKSA-N 0 3 234.343 3.078 20 0 BGADHN C[C@H]1CC[C@@H](CNCc2cnc(C3CC3)o2)C1 ZINC000628256123 346253586 /nfs/dbraw/zinc/25/35/86/346253586.db2.gz KEBFZVOQGBUIGW-WDEREUQCSA-N 0 3 234.343 3.078 20 0 BGADHN CCN(Cc1cnc(C2CC2)o1)CC1CCC1 ZINC000628256455 346254404 /nfs/dbraw/zinc/25/44/04/346254404.db2.gz XMHMIZXTFNXIGO-UHFFFAOYSA-N 0 3 234.343 3.174 20 0 BGADHN c1nc(C2CC2)oc1CN(CC1CC1)C1CCC1 ZINC000628256596 346258078 /nfs/dbraw/zinc/25/80/78/346258078.db2.gz DGZLDQWMKTWZGF-UHFFFAOYSA-N 0 3 246.354 3.317 20 0 BGADHN CC1(C)C(CNCc2cnc(C3CC3)o2)C1(C)C ZINC000628256608 346258191 /nfs/dbraw/zinc/25/81/91/346258191.db2.gz DXPKMQIEWSTBKN-UHFFFAOYSA-N 0 3 248.370 3.324 20 0 BGADHN Cc1ncc(CNC[C@@H]2CCC[C@H](C)[C@@H]2C)o1 ZINC000628256646 346258135 /nfs/dbraw/zinc/25/81/35/346258135.db2.gz GRJOHQILSWWXJM-GVXVVHGQSA-N 0 3 236.359 3.145 20 0 BGADHN Cc1ncc(CNC[C@@H]2CCC[C@H](C)[C@H]2C)o1 ZINC000628256647 346257927 /nfs/dbraw/zinc/25/79/27/346257927.db2.gz GRJOHQILSWWXJM-LOWVWBTDSA-N 0 3 236.359 3.145 20 0 BGADHN Cc1ncc(CNC[C@@H]2CCC[C@@H](C)[C@@H]2C)o1 ZINC000628256648 346258072 /nfs/dbraw/zinc/25/80/72/346258072.db2.gz GRJOHQILSWWXJM-MDZLAQPJSA-N 0 3 236.359 3.145 20 0 BGADHN Cc1ncc(CNC[C@@H]2CCC[C@@H](C)[C@H]2C)o1 ZINC000628256649 346257989 /nfs/dbraw/zinc/25/79/89/346257989.db2.gz GRJOHQILSWWXJM-WZRBSPASSA-N 0 3 236.359 3.145 20 0 BGADHN Cc1nc(CN2CCC[C@@H](C(C)(C)C)C2)[nH]c1C ZINC000628256700 346258162 /nfs/dbraw/zinc/25/81/62/346258162.db2.gz IQKFLVNLCBOCFZ-CYBMUJFWSA-N 0 3 249.402 3.285 20 0 BGADHN Cc1nc(CN2CCC[C@H](C(C)(C)C)C2)[nH]c1C ZINC000628256701 346257965 /nfs/dbraw/zinc/25/79/65/346257965.db2.gz IQKFLVNLCBOCFZ-ZDUSSCGKSA-N 0 3 249.402 3.285 20 0 BGADHN Cc1nc(CN(CC2CC2)CC2CCC2)[nH]c1C ZINC000628256797 346255550 /nfs/dbraw/zinc/25/55/50/346255550.db2.gz MQLCCJNKZOHDJU-UHFFFAOYSA-N 0 3 247.386 3.039 20 0 BGADHN Cc1ncc(CN2CCC[C@@H](C(C)(C)C)C2)o1 ZINC000628256807 346255623 /nfs/dbraw/zinc/25/56/23/346255623.db2.gz NABJJLZREGLAAG-GFCCVEGCSA-N 0 3 236.359 3.241 20 0 BGADHN Cc1ncc(CN2CCC[C@H](C(C)(C)C)C2)o1 ZINC000628256808 346255568 /nfs/dbraw/zinc/25/55/68/346255568.db2.gz NABJJLZREGLAAG-LBPRGKRZSA-N 0 3 236.359 3.241 20 0 BGADHN Cc1nc(C)c(CNCC2C(C)(C)C2(C)C)o1 ZINC000628256984 346256213 /nfs/dbraw/zinc/25/62/13/346256213.db2.gz VCWSKJUMSXIHTA-UHFFFAOYSA-N 0 3 236.359 3.063 20 0 BGADHN Cc1ncc(CN[C@H]2C[C@H](c3ccccc3)C2)o1 ZINC000628258288 346257082 /nfs/dbraw/zinc/25/70/82/346257082.db2.gz WRBPIVMFKGTPMR-HDJSIYSDSA-N 0 3 242.322 3.019 20 0 BGADHN CC1=CCCN(Cc2ccc3[nH]ccc3c2)C1 ZINC000628259349 346259246 /nfs/dbraw/zinc/25/92/46/346259246.db2.gz QUDWUNWHFRASOW-UHFFFAOYSA-N 0 3 226.323 3.320 20 0 BGADHN C[C@H]1CCC[C@@H]1CNCc1cnc(C2CC2)o1 ZINC000628260429 346260376 /nfs/dbraw/zinc/26/03/76/346260376.db2.gz HFXMOBJJCJDOHU-CMPLNLGQSA-N 0 3 234.343 3.078 20 0 BGADHN C[C@H]1CCC[C@H]1CNCc1cnc(C2CC2)o1 ZINC000628260430 346260418 /nfs/dbraw/zinc/26/04/18/346260418.db2.gz HFXMOBJJCJDOHU-JQWIXIFHSA-N 0 3 234.343 3.078 20 0 BGADHN C[C@@H]1CCC[C@H]1CNCc1cnc(C2CC2)o1 ZINC000628260431 346259963 /nfs/dbraw/zinc/25/99/63/346259963.db2.gz HFXMOBJJCJDOHU-PWSUYJOCSA-N 0 3 234.343 3.078 20 0 BGADHN C[C@@H]1CCC[C@@H]1CNCc1cnc(C2CC2)o1 ZINC000628260432 346260036 /nfs/dbraw/zinc/26/00/36/346260036.db2.gz HFXMOBJJCJDOHU-ZYHUDNBSSA-N 0 3 234.343 3.078 20 0 BGADHN Cc1ncc(CN(C)[C@H](C)C2CCCCC2)o1 ZINC000628264687 346264468 /nfs/dbraw/zinc/26/44/68/346264468.db2.gz YBHVKYYTZPNSFJ-LLVKDONJSA-N 0 3 236.359 3.384 20 0 BGADHN Cc1nc(CN(C)[C@H]2CCCC[C@@H]2C)[nH]c1C ZINC000628265856 346265384 /nfs/dbraw/zinc/26/53/84/346265384.db2.gz URLICKRGRDAGEM-GWCFXTLKSA-N 0 3 235.375 3.037 20 0 BGADHN Cc1nc(CN(C)[C@@H]2CCCC[C@@H]2C)[nH]c1C ZINC000628265857 346265452 /nfs/dbraw/zinc/26/54/52/346265452.db2.gz URLICKRGRDAGEM-GXFFZTMASA-N 0 3 235.375 3.037 20 0 BGADHN Cc1nc(CN(C)[C@H]2CCCC[C@H]2C)[nH]c1C ZINC000628265858 346265414 /nfs/dbraw/zinc/26/54/14/346265414.db2.gz URLICKRGRDAGEM-MFKMUULPSA-N 0 3 235.375 3.037 20 0 BGADHN Cc1nc(CN(C)[C@@H]2CCCC[C@H]2C)[nH]c1C ZINC000628265859 346265486 /nfs/dbraw/zinc/26/54/86/346265486.db2.gz URLICKRGRDAGEM-ZWNOBZJWSA-N 0 3 235.375 3.037 20 0 BGADHN c1nc(C2CC2)oc1CN1CCC2(CCC2)CC1 ZINC000628274930 346285315 /nfs/dbraw/zinc/28/53/15/346285315.db2.gz SEOPIEUBOUPZQE-UHFFFAOYSA-N 0 3 246.354 3.318 20 0 BGADHN CCCC[C@H](NCc1cnc(C)o1)C1CCC1 ZINC000628280741 346291291 /nfs/dbraw/zinc/29/12/91/346291291.db2.gz FQTIYXDAMGOWQP-AWEZNQCLSA-N 0 3 236.359 3.432 20 0 BGADHN CCCC[C@@H](NCc1cnc(C)o1)C1CCC1 ZINC000628280742 346291773 /nfs/dbraw/zinc/29/17/73/346291773.db2.gz FQTIYXDAMGOWQP-CQSZACIVSA-N 0 3 236.359 3.432 20 0 BGADHN CCCC[C@H](NCc1nc(C)c(C)[nH]1)C1CCC1 ZINC000628280848 346292228 /nfs/dbraw/zinc/29/22/28/346292228.db2.gz LVOUVKKSJGXOCE-AWEZNQCLSA-N 0 3 249.402 3.475 20 0 BGADHN CCCC[C@@H](NCc1nc(C)c(C)[nH]1)C1CCC1 ZINC000628280849 346292345 /nfs/dbraw/zinc/29/23/45/346292345.db2.gz LVOUVKKSJGXOCE-CQSZACIVSA-N 0 3 249.402 3.475 20 0 BGADHN CCCC[C@@H](NCc1nc(C)c[nH]1)C1CCC1 ZINC000628281054 346292527 /nfs/dbraw/zinc/29/25/27/346292527.db2.gz XSFXPWXIMBQQOH-CYBMUJFWSA-N 0 3 235.375 3.167 20 0 BGADHN CCCC[C@H](NCc1nc(C)c[nH]1)C1CCC1 ZINC000628281055 346292774 /nfs/dbraw/zinc/29/27/74/346292774.db2.gz XSFXPWXIMBQQOH-ZDUSSCGKSA-N 0 3 235.375 3.167 20 0 BGADHN CC[C@@H]1CC[C@H](C)N1Cc1cnc(C2CC2)o1 ZINC000628281329 346293580 /nfs/dbraw/zinc/29/35/80/346293580.db2.gz PYPCPUUZIYQEEG-CMPLNLGQSA-N 0 3 234.343 3.315 20 0 BGADHN CC[C@H]1CC[C@H](C)N1Cc1cnc(C2CC2)o1 ZINC000628281330 346293641 /nfs/dbraw/zinc/29/36/41/346293641.db2.gz PYPCPUUZIYQEEG-JQWIXIFHSA-N 0 3 234.343 3.315 20 0 BGADHN CC[C@H]1CC[C@@H](C)N1Cc1cnc(C2CC2)o1 ZINC000628281331 346293661 /nfs/dbraw/zinc/29/36/61/346293661.db2.gz PYPCPUUZIYQEEG-PWSUYJOCSA-N 0 3 234.343 3.315 20 0 BGADHN CC[C@@H]1CC[C@@H](C)N1Cc1cnc(C2CC2)o1 ZINC000628281332 346293671 /nfs/dbraw/zinc/29/36/71/346293671.db2.gz PYPCPUUZIYQEEG-ZYHUDNBSSA-N 0 3 234.343 3.315 20 0 BGADHN C[C@H](CF)NCCc1cccc(C(F)(F)F)c1 ZINC000628281952 346293646 /nfs/dbraw/zinc/29/36/46/346293646.db2.gz HMYNTSYIIJIFMM-SECBINFHSA-N 0 3 249.251 3.196 20 0 BGADHN C[C@@H](CF)NCCc1cccc(C(F)(F)F)c1 ZINC000628281953 346293469 /nfs/dbraw/zinc/29/34/69/346293469.db2.gz HMYNTSYIIJIFMM-VIFPVBQESA-N 0 3 249.251 3.196 20 0 BGADHN Cc1ccc([C@H](C)CN[C@@H](C)CF)cc1 ZINC000628282152 346293270 /nfs/dbraw/zinc/29/32/70/346293270.db2.gz RCRIZHFLKBLESA-NEPJUHHUSA-N 0 3 209.308 3.046 20 0 BGADHN Cc1ccc([C@@H](C)CN[C@H](C)CF)cc1 ZINC000628282153 346293486 /nfs/dbraw/zinc/29/34/86/346293486.db2.gz RCRIZHFLKBLESA-NWDGAFQWSA-N 0 3 209.308 3.046 20 0 BGADHN Cc1ccc([C@@H](C)CN[C@@H](C)CF)cc1 ZINC000628282154 346293368 /nfs/dbraw/zinc/29/33/68/346293368.db2.gz RCRIZHFLKBLESA-RYUDHWBXSA-N 0 3 209.308 3.046 20 0 BGADHN Cc1ccc([C@H](C)CN[C@H](C)CF)cc1 ZINC000628282155 346293548 /nfs/dbraw/zinc/29/35/48/346293548.db2.gz RCRIZHFLKBLESA-VXGBXAGGSA-N 0 3 209.308 3.046 20 0 BGADHN c1nc(C2CC2)oc1CN1CCC[C@@H](C2CC2)C1 ZINC000628282895 346294426 /nfs/dbraw/zinc/29/44/26/346294426.db2.gz XJWYNRYFNVEWKU-CYBMUJFWSA-N 0 3 246.354 3.174 20 0 BGADHN c1nc(C2CC2)oc1CN1CCC[C@H](C2CC2)C1 ZINC000628282896 346294509 /nfs/dbraw/zinc/29/45/09/346294509.db2.gz XJWYNRYFNVEWKU-ZDUSSCGKSA-N 0 3 246.354 3.174 20 0 BGADHN CCC(CC)N(CC)Cc1nc(C)c(C)[nH]1 ZINC000628283026 346295027 /nfs/dbraw/zinc/29/50/27/346295027.db2.gz BZFRWUICGCYYIP-UHFFFAOYSA-N 0 3 223.364 3.037 20 0 BGADHN Cc1nc(C)c(CN2CC3(CCC3)[C@@H]2C2CC2)o1 ZINC000628285717 346297049 /nfs/dbraw/zinc/29/70/49/346297049.db2.gz DKNHMRSTTINBRV-AWEZNQCLSA-N 0 3 246.354 3.056 20 0 BGADHN Cc1nc(C)c(CN2CC3(CCC3)[C@H]2C2CC2)o1 ZINC000628285718 346296592 /nfs/dbraw/zinc/29/65/92/346296592.db2.gz DKNHMRSTTINBRV-CQSZACIVSA-N 0 3 246.354 3.056 20 0 BGADHN c1cc2cc(CN3CC(C4CC4)C3)ccc2[nH]1 ZINC000628288192 346928637 /nfs/dbraw/zinc/92/86/37/346928637.db2.gz DDGQCKCDONHYEF-UHFFFAOYSA-N 0 3 226.323 3.010 20 0 BGADHN c1cc2ccc(CN3CC(C4CC4)C3)cc2[nH]1 ZINC000628288367 346929621 /nfs/dbraw/zinc/92/96/21/346929621.db2.gz ITGANYOYHLTMEE-UHFFFAOYSA-N 0 3 226.323 3.010 20 0 BGADHN CCN(Cc1cnc(C2CC2)o1)CC(C)(C)C ZINC000628289940 346945714 /nfs/dbraw/zinc/94/57/14/346945714.db2.gz RQVZPJDEMCXDLF-UHFFFAOYSA-N 0 3 236.359 3.420 20 0 BGADHN Cc1nc(C)c(CN2CC3(CCC3)[C@@H]2C(C)C)o1 ZINC000628291130 346984039 /nfs/dbraw/zinc/98/40/39/346984039.db2.gz OSIOHUBSRUCWPB-AWEZNQCLSA-N 0 3 248.370 3.302 20 0 BGADHN Cc1nc(C)c(CN2CC3(CCC3)[C@H]2C(C)C)o1 ZINC000628291131 346983694 /nfs/dbraw/zinc/98/36/94/346983694.db2.gz OSIOHUBSRUCWPB-CQSZACIVSA-N 0 3 248.370 3.302 20 0 BGADHN Cc1ccoc1CN(C)C[C@@]1(C)CCCS1 ZINC000628291952 347083995 /nfs/dbraw/zinc/08/39/95/347083995.db2.gz CUROVFAWLUPLJH-CYBMUJFWSA-N 0 3 239.384 3.306 20 0 BGADHN Cc1ccoc1CN(C)C[C@]1(C)CCCS1 ZINC000628291953 347083732 /nfs/dbraw/zinc/08/37/32/347083732.db2.gz CUROVFAWLUPLJH-ZDUSSCGKSA-N 0 3 239.384 3.306 20 0 BGADHN c1nc(C2CC2)oc1CN(C1CCC1)C1CCC1 ZINC000628292482 347087286 /nfs/dbraw/zinc/08/72/86/347087286.db2.gz GHNGNURLCNMNTE-UHFFFAOYSA-N 0 3 246.354 3.459 20 0 BGADHN Cc1ncc(CNCC(C)(C)C(C)(C)C)o1 ZINC000628292984 347117317 /nfs/dbraw/zinc/11/73/17/347117317.db2.gz FWNZDSFFUYLDSX-UHFFFAOYSA-N 0 3 224.348 3.145 20 0 BGADHN Cc1nc(C)c(CNCC(C)(C)C(C)(C)C)o1 ZINC000628293040 347117196 /nfs/dbraw/zinc/11/71/96/347117196.db2.gz JKNWTUPQOFVBJX-UHFFFAOYSA-N 0 3 238.375 3.453 20 0 BGADHN CC[C@@H]1CCN1Cc1ccc2[nH]ccc2c1 ZINC000628293110 347117445 /nfs/dbraw/zinc/11/74/45/347117445.db2.gz MEOSYZVWDGSCHD-CYBMUJFWSA-N 0 3 214.312 3.152 20 0 BGADHN CC[C@H]1CCN1Cc1ccc2[nH]ccc2c1 ZINC000628293111 347117351 /nfs/dbraw/zinc/11/73/51/347117351.db2.gz MEOSYZVWDGSCHD-ZDUSSCGKSA-N 0 3 214.312 3.152 20 0 BGADHN CC[C@H]1CC[C@H](NCc2cnc(C)o2)CC1 ZINC000628293698 347166744 /nfs/dbraw/zinc/16/67/44/347166744.db2.gz OAZJZHRWTXZCKW-HAQNSBGRSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1nc(C)c(CNC(C)(C)C(C)(C)C)o1 ZINC000628293747 347166931 /nfs/dbraw/zinc/16/69/31/347166931.db2.gz RBHGPTFISWUAEL-UHFFFAOYSA-N 0 3 224.348 3.206 20 0 BGADHN CC[C@H]1CC[C@H](NCc2oc(C)nc2C)CC1 ZINC000628293851 347167573 /nfs/dbraw/zinc/16/75/73/347167573.db2.gz VKUSUWMAZPRKFF-JOCQHMNTSA-N 0 3 236.359 3.350 20 0 BGADHN Cc1nc(C)c(CN2CC(C)(C)[C@H]2C(C)C)o1 ZINC000628293852 347167369 /nfs/dbraw/zinc/16/73/69/347167369.db2.gz VPYXXZHGUTUMTE-CYBMUJFWSA-N 0 3 236.359 3.158 20 0 BGADHN Cc1nc(C)c(CN2CC(C)(C)[C@@H]2C(C)C)o1 ZINC000628293853 347167882 /nfs/dbraw/zinc/16/78/82/347167882.db2.gz VPYXXZHGUTUMTE-ZDUSSCGKSA-N 0 3 236.359 3.158 20 0 BGADHN CC(C)(C)C(C)(C)NCc1cnc(C2CC2)o1 ZINC000628293927 347167525 /nfs/dbraw/zinc/16/75/25/347167525.db2.gz YGLBIFWKGCVRGC-UHFFFAOYSA-N 0 3 236.359 3.466 20 0 BGADHN Cc1nc(C)c(CNC2CC(C(C)(C)C)C2)o1 ZINC000628295313 347215192 /nfs/dbraw/zinc/21/51/92/347215192.db2.gz KJJDHPVQXOSSEJ-UHFFFAOYSA-N 0 3 236.359 3.206 20 0 BGADHN CC(C)(CCNCc1cnc(C2CC2)o1)C1CC1 ZINC000628296518 347244374 /nfs/dbraw/zinc/24/43/74/347244374.db2.gz OIRYSZKQULIGGU-UHFFFAOYSA-N 0 3 248.370 3.468 20 0 BGADHN Cc1nc(CN2CC(C)(C)[C@@H]3CCC[C@H]32)[nH]c1C ZINC000628296584 347244409 /nfs/dbraw/zinc/24/44/09/347244409.db2.gz QMZIIEGSORNDCQ-CHWSQXEVSA-N 0 3 247.386 3.037 20 0 BGADHN Cc1nc(CN2CC(C)(C)[C@@H]3CCC[C@@H]32)[nH]c1C ZINC000628296585 347244214 /nfs/dbraw/zinc/24/42/14/347244214.db2.gz QMZIIEGSORNDCQ-OLZOCXBDSA-N 0 3 247.386 3.037 20 0 BGADHN Cc1nc(CN2CC(C)(C)[C@H]3CCC[C@H]32)[nH]c1C ZINC000628296586 347244039 /nfs/dbraw/zinc/24/40/39/347244039.db2.gz QMZIIEGSORNDCQ-QWHCGFSZSA-N 0 3 247.386 3.037 20 0 BGADHN Cc1nc(CN2CC(C)(C)[C@H]3CCC[C@@H]32)[nH]c1C ZINC000628296587 347244699 /nfs/dbraw/zinc/24/46/99/347244699.db2.gz QMZIIEGSORNDCQ-STQMWFEESA-N 0 3 247.386 3.037 20 0 BGADHN CC1(C)CCC[C@@H]1CNCc1cnc(C2CC2)o1 ZINC000628296647 347245154 /nfs/dbraw/zinc/24/51/54/347245154.db2.gz UAJXAKGLSWVVLN-GFCCVEGCSA-N 0 3 248.370 3.468 20 0 BGADHN CC1(C)CCC[C@H]1CNCc1cnc(C2CC2)o1 ZINC000628296648 347245130 /nfs/dbraw/zinc/24/51/30/347245130.db2.gz UAJXAKGLSWVVLN-LBPRGKRZSA-N 0 3 248.370 3.468 20 0 BGADHN Cc1nc(C)c(CNC[C@H]2CCCC2(C)C)o1 ZINC000628296726 347245226 /nfs/dbraw/zinc/24/52/26/347245226.db2.gz WGGSCJRSTWHVMO-GFCCVEGCSA-N 0 3 236.359 3.207 20 0 BGADHN Cc1nc(C)c(CNC[C@@H]2CCCC2(C)C)o1 ZINC000628296727 347245258 /nfs/dbraw/zinc/24/52/58/347245258.db2.gz WGGSCJRSTWHVMO-LBPRGKRZSA-N 0 3 236.359 3.207 20 0 BGADHN CC(F)(F)CCCNCc1cnc(C2CC2)o1 ZINC000628297485 347246690 /nfs/dbraw/zinc/24/66/90/347246690.db2.gz ZHOCTXJJQMYAOK-UHFFFAOYSA-N 0 3 244.285 3.077 20 0 BGADHN CCC1(NCc2cnc(C3CC3)o2)CCCC1 ZINC000628297692 347257742 /nfs/dbraw/zinc/25/77/42/347257742.db2.gz IGMGFUCYMZULCS-UHFFFAOYSA-N 0 3 234.343 3.364 20 0 BGADHN Cc1nc(CN2CCC[C@@]2(C)CC(C)C)[nH]c1C ZINC000628298360 347317757 /nfs/dbraw/zinc/31/77/57/347317757.db2.gz CNCLCTNMHPHJFF-HNNXBMFYSA-N 0 3 249.402 3.427 20 0 BGADHN Cc1nc(CN2CCC[C@]2(C)CC(C)C)[nH]c1C ZINC000628298361 347317665 /nfs/dbraw/zinc/31/76/65/347317665.db2.gz CNCLCTNMHPHJFF-OAHLLOKOSA-N 0 3 249.402 3.427 20 0 BGADHN CC[C@H]1CCC[C@H]1CNCc1cnc(C2CC2)o1 ZINC000628298377 347318539 /nfs/dbraw/zinc/31/85/39/347318539.db2.gz CZNJFGBYEOSIOJ-AAEUAGOBSA-N 0 3 248.370 3.468 20 0 BGADHN CC[C@@H]1CCC[C@@H]1CNCc1cnc(C2CC2)o1 ZINC000628298378 347316834 /nfs/dbraw/zinc/31/68/34/347316834.db2.gz CZNJFGBYEOSIOJ-DGCLKSJQSA-N 0 3 248.370 3.468 20 0 BGADHN CC[C@H]1CCC[C@@H]1CNCc1cnc(C2CC2)o1 ZINC000628298379 347316803 /nfs/dbraw/zinc/31/68/03/347316803.db2.gz CZNJFGBYEOSIOJ-WCQYABFASA-N 0 3 248.370 3.468 20 0 BGADHN CC[C@@H]1CCC[C@H]1CNCc1cnc(C2CC2)o1 ZINC000628298380 347317032 /nfs/dbraw/zinc/31/70/32/347317032.db2.gz CZNJFGBYEOSIOJ-YPMHNXCESA-N 0 3 248.370 3.468 20 0 BGADHN Cc1c[nH]c(CN2CCC[C@@]2(C)CC(C)C)n1 ZINC000628298495 347320899 /nfs/dbraw/zinc/32/08/99/347320899.db2.gz HNFPADZBZZYQNI-AWEZNQCLSA-N 0 3 235.375 3.119 20 0 BGADHN Cc1c[nH]c(CN2CCC[C@]2(C)CC(C)C)n1 ZINC000628298496 347321551 /nfs/dbraw/zinc/32/15/51/347321551.db2.gz HNFPADZBZZYQNI-CQSZACIVSA-N 0 3 235.375 3.119 20 0 BGADHN Cc1ccc([C@@H](C)CN2CC[C@@H](F)C2)cc1 ZINC000628298596 347323588 /nfs/dbraw/zinc/32/35/88/347323588.db2.gz KYFCMWUZYJGDTI-GXTWGEPZSA-N 0 3 221.319 3.142 20 0 BGADHN Cc1ccc([C@@H](C)CN2CC[C@H](F)C2)cc1 ZINC000628298597 347323569 /nfs/dbraw/zinc/32/35/69/347323569.db2.gz KYFCMWUZYJGDTI-JSGCOSHPSA-N 0 3 221.319 3.142 20 0 BGADHN Cc1ccc([C@H](C)CN2CC[C@H](F)C2)cc1 ZINC000628298598 347323405 /nfs/dbraw/zinc/32/34/05/347323405.db2.gz KYFCMWUZYJGDTI-OCCSQVGLSA-N 0 3 221.319 3.142 20 0 BGADHN Cc1ccc([C@H](C)CN2CC[C@@H](F)C2)cc1 ZINC000628298599 347322914 /nfs/dbraw/zinc/32/29/14/347322914.db2.gz KYFCMWUZYJGDTI-TZMCWYRMSA-N 0 3 221.319 3.142 20 0 BGADHN CC[C@@H]1CCC[C@@H]1CNCc1oc(C)nc1C ZINC000628298959 347343662 /nfs/dbraw/zinc/34/36/62/347343662.db2.gz XYTHPDSZPUXSJN-CHWSQXEVSA-N 0 3 236.359 3.207 20 0 BGADHN CC[C@@H]1CCC[C@H]1CNCc1oc(C)nc1C ZINC000628298960 347344053 /nfs/dbraw/zinc/34/40/53/347344053.db2.gz XYTHPDSZPUXSJN-OLZOCXBDSA-N 0 3 236.359 3.207 20 0 BGADHN CC[C@H]1CCC[C@@H]1CNCc1oc(C)nc1C ZINC000628298961 347343611 /nfs/dbraw/zinc/34/36/11/347343611.db2.gz XYTHPDSZPUXSJN-QWHCGFSZSA-N 0 3 236.359 3.207 20 0 BGADHN CC[C@H]1CCC[C@H]1CNCc1oc(C)nc1C ZINC000628298962 347342891 /nfs/dbraw/zinc/34/28/91/347342891.db2.gz XYTHPDSZPUXSJN-STQMWFEESA-N 0 3 236.359 3.207 20 0 BGADHN CCC1(NCc2cnc(C)o2)CCCCC1 ZINC000628299202 347415604 /nfs/dbraw/zinc/41/56/04/347415604.db2.gz GNTXQSIRIJHPIA-UHFFFAOYSA-N 0 3 222.332 3.186 20 0 BGADHN CCC1(NCc2oc(C)nc2C)CCCCC1 ZINC000628299330 347420264 /nfs/dbraw/zinc/42/02/64/347420264.db2.gz LIYCVNFBVGVPOW-UHFFFAOYSA-N 0 3 236.359 3.494 20 0 BGADHN CC(C)(NCc1cnc(C2CC2)o1)C1CCC1 ZINC000628299360 347422544 /nfs/dbraw/zinc/42/25/44/347422544.db2.gz MXIDOPSOWFYBSO-UHFFFAOYSA-N 0 3 234.343 3.220 20 0 BGADHN CC(C)(CNCc1cnc(C2CC2)o1)C1CCC1 ZINC000628299452 347423582 /nfs/dbraw/zinc/42/35/82/347423582.db2.gz OXUDIGUYNAUBQU-UHFFFAOYSA-N 0 3 248.370 3.468 20 0 BGADHN Cc1nc(C)c(CNCC(C)(C)C2CCC2)o1 ZINC000628299621 385445323 /nfs/dbraw/zinc/44/53/23/385445323.db2.gz VFTBMZIUHIATAR-UHFFFAOYSA-N 0 3 236.359 3.207 20 0 BGADHN c1nc(C2CC2)oc1CN1C[C@@H]2CCCC[C@@H]2C1 ZINC000628299646 385448248 /nfs/dbraw/zinc/44/82/48/385448248.db2.gz VSBWANYIUHZIQX-BETUJISGSA-N 0 3 246.354 3.174 20 0 BGADHN Cc1ncc(CN2C[C@@H](C(C)C)[C@@H]2C(C)C)o1 ZINC000628300036 347813812 /nfs/dbraw/zinc/81/38/12/347813812.db2.gz LSNOFWGRBWFDFN-KBPBESRZSA-N 0 3 236.359 3.095 20 0 BGADHN Cc1ncc(CN2C[C@H](C(C)C)[C@@H]2C(C)C)o1 ZINC000628300037 347813917 /nfs/dbraw/zinc/81/39/17/347813917.db2.gz LSNOFWGRBWFDFN-KGLIPLIRSA-N 0 3 236.359 3.095 20 0 BGADHN Cc1ncc(CN2C[C@@H](C(C)C)[C@H]2C(C)C)o1 ZINC000628300038 347813883 /nfs/dbraw/zinc/81/38/83/347813883.db2.gz LSNOFWGRBWFDFN-UONOGXRCSA-N 0 3 236.359 3.095 20 0 BGADHN Cc1ncc(CN2C[C@H](C(C)C)[C@H]2C(C)C)o1 ZINC000628300039 347813892 /nfs/dbraw/zinc/81/38/92/347813892.db2.gz LSNOFWGRBWFDFN-ZIAGYGMSSA-N 0 3 236.359 3.095 20 0 BGADHN c1nc(C2CC2)oc1CNC12CCC(CC1)CC2 ZINC000628300077 347833362 /nfs/dbraw/zinc/83/33/62/347833362.db2.gz NODCBCWZRMLNBG-UHFFFAOYSA-N 0 3 246.354 3.364 20 0 BGADHN Cc1nc(C)c(CNC23CCC(CC2)CC3)o1 ZINC000628300284 347900104 /nfs/dbraw/zinc/90/01/04/347900104.db2.gz YSZGBVBMROOLFO-UHFFFAOYSA-N 0 3 234.343 3.104 20 0 BGADHN Cc1ncc(CN2CC[C@H](CC(C)(C)C)C2)o1 ZINC000628303847 398047936 /nfs/dbraw/zinc/04/79/36/398047936.db2.gz RTILTAKKTYZFSF-GFCCVEGCSA-N 0 3 236.359 3.241 20 0 BGADHN Cc1ncc(CN2CC[C@@H](CC(C)(C)C)C2)o1 ZINC000628303848 398047860 /nfs/dbraw/zinc/04/78/60/398047860.db2.gz RTILTAKKTYZFSF-LBPRGKRZSA-N 0 3 236.359 3.241 20 0 BGADHN Cc1ncc(CN[C@@H](C)[C@@H]2CCC[C@H](C)C2)o1 ZINC000628303881 349276450 /nfs/dbraw/zinc/27/64/50/349276450.db2.gz UESOKFVUECXUSO-GMXVVIOVSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1ncc(CN[C@@H](C)[C@H]2CCC[C@H](C)C2)o1 ZINC000628303882 349276194 /nfs/dbraw/zinc/27/61/94/349276194.db2.gz UESOKFVUECXUSO-GVXVVHGQSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1ncc(CN[C@@H](C)[C@H]2CCC[C@@H](C)C2)o1 ZINC000628303883 349276435 /nfs/dbraw/zinc/27/64/35/349276435.db2.gz UESOKFVUECXUSO-MDZLAQPJSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1ncc(CN[C@@H](C)[C@@H]2CCC[C@@H](C)C2)o1 ZINC000628303884 349276265 /nfs/dbraw/zinc/27/62/65/349276265.db2.gz UESOKFVUECXUSO-NTZNESFSSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1ncc(CN(C(C)C)C2CC(C)(C)C2)o1 ZINC000628304153 349280655 /nfs/dbraw/zinc/28/06/55/349280655.db2.gz HUAUJJKXDXHWOF-UHFFFAOYSA-N 0 3 236.359 3.382 20 0 BGADHN Cc1ncc(CN2CC3(CCCC3)[C@@H]2C(C)C)o1 ZINC000628304239 349281109 /nfs/dbraw/zinc/28/11/09/349281109.db2.gz MSGKZDHBFQTWKG-AWEZNQCLSA-N 0 3 248.370 3.384 20 0 BGADHN Cc1ncc(CN2CC3(CCCC3)[C@H]2C(C)C)o1 ZINC000628304240 349281097 /nfs/dbraw/zinc/28/10/97/349281097.db2.gz MSGKZDHBFQTWKG-CQSZACIVSA-N 0 3 248.370 3.384 20 0 BGADHN Cc1ncc(CNCC2(C3CCC3)CCC2)o1 ZINC000628304511 349328812 /nfs/dbraw/zinc/32/88/12/349328812.db2.gz AHVLCYVOOXKAGL-UHFFFAOYSA-N 0 3 234.343 3.043 20 0 BGADHN Cc1ncc(CNCC(C)(C)C2=CCCC2)o1 ZINC000628304673 349326236 /nfs/dbraw/zinc/32/62/36/349326236.db2.gz LLTYXAPWHAIEKA-UHFFFAOYSA-N 0 3 234.343 3.209 20 0 BGADHN Cc1nc(C)c(CNCC2(C3CCC3)CCC2)o1 ZINC000628304797 349331192 /nfs/dbraw/zinc/33/11/92/349331192.db2.gz UAFRLNFJVOTXDX-UHFFFAOYSA-N 0 3 248.370 3.351 20 0 BGADHN Cc1ncc(CN[C@@]2(C)CCCC[C@@H]2C)o1 ZINC000628305109 349495162 /nfs/dbraw/zinc/49/51/62/349495162.db2.gz LWZCRNFUPWFYJV-GWCFXTLKSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1ncc(CN[C@]2(C)CCCC[C@@H]2C)o1 ZINC000628305110 349495221 /nfs/dbraw/zinc/49/52/21/349495221.db2.gz LWZCRNFUPWFYJV-GXFFZTMASA-N 0 3 222.332 3.041 20 0 BGADHN Cc1ncc(CN[C@@]2(C)CCCC[C@H]2C)o1 ZINC000628305111 349495173 /nfs/dbraw/zinc/49/51/73/349495173.db2.gz LWZCRNFUPWFYJV-MFKMUULPSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1ncc(CN[C@]2(C)CCCC[C@H]2C)o1 ZINC000628305112 349495405 /nfs/dbraw/zinc/49/54/05/349495405.db2.gz LWZCRNFUPWFYJV-ZWNOBZJWSA-N 0 3 222.332 3.041 20 0 BGADHN CCC1CN(Cc2ccc3[nH]ccc3c2)C1 ZINC000628305168 349498053 /nfs/dbraw/zinc/49/80/53/349498053.db2.gz OHXXPUZCQCTRMJ-UHFFFAOYSA-N 0 3 214.312 3.010 20 0 BGADHN CCC1(CC)CN(Cc2cccc3n[nH]cc32)C1 ZINC000628306078 350112740 /nfs/dbraw/zinc/11/27/40/350112740.db2.gz LJRDANARJITXGD-UHFFFAOYSA-N 0 3 243.354 3.185 20 0 BGADHN Cc1ccc([C@H](C)CN2CC(C(F)F)C2)cc1 ZINC000628307048 350439834 /nfs/dbraw/zinc/43/98/34/350439834.db2.gz KTXSWCGIWZCMKF-LLVKDONJSA-N 0 3 239.309 3.295 20 0 BGADHN Cc1ccc([C@@H](C)CN2CC(C(F)F)C2)cc1 ZINC000628307049 350439009 /nfs/dbraw/zinc/43/90/09/350439009.db2.gz KTXSWCGIWZCMKF-NSHDSACASA-N 0 3 239.309 3.295 20 0 BGADHN FC1CC2(C1)CN(Cc1ccc3[nH]ccc3c1)C2 ZINC000628307252 411332740 /nfs/dbraw/zinc/33/27/40/411332740.db2.gz XEOTZFWKXXAXKR-UHFFFAOYSA-N 0 3 244.313 3.102 20 0 BGADHN FC1CC2(C1)CN(Cc1ccc3cc[nH]c3c1)C2 ZINC000628307273 350460425 /nfs/dbraw/zinc/46/04/25/350460425.db2.gz YSZBQGMICURPJV-UHFFFAOYSA-N 0 3 244.313 3.102 20 0 BGADHN CCC1(C)CN(Cc2ccc3[nH]ccc3c2)C1 ZINC000628307784 350688503 /nfs/dbraw/zinc/68/85/03/350688503.db2.gz CFBFWCSWUUJESY-UHFFFAOYSA-N 0 3 228.339 3.400 20 0 BGADHN COCC1(C)CN(C[C@H](C)c2ccc(C)cc2)C1 ZINC000628307933 350696508 /nfs/dbraw/zinc/69/65/08/350696508.db2.gz LHCPLGCZOQNRTP-AWEZNQCLSA-N 0 3 247.382 3.067 20 0 BGADHN COCC1(C)CN(C[C@@H](C)c2ccc(C)cc2)C1 ZINC000628307934 350696594 /nfs/dbraw/zinc/69/65/94/350696594.db2.gz LHCPLGCZOQNRTP-CQSZACIVSA-N 0 3 247.382 3.067 20 0 BGADHN CC(C)C[C@@H]1C[C@H]1NCc1cnc(C2CC2)o1 ZINC000628308268 350780406 /nfs/dbraw/zinc/78/04/06/350780406.db2.gz DUYYFZVYIXKNDR-DGCLKSJQSA-N 0 3 234.343 3.076 20 0 BGADHN CN(Cc1cnc(C2CC2)o1)C1CC(C)(C)C1 ZINC000628309146 350785505 /nfs/dbraw/zinc/78/55/05/350785505.db2.gz CLWDNOXMHNRFBF-UHFFFAOYSA-N 0 3 234.343 3.172 20 0 BGADHN CCC[C@@H](NCc1nc(C)c(C)[nH]1)C1CCC1 ZINC000628309159 350785390 /nfs/dbraw/zinc/78/53/90/350785390.db2.gz DIJMTKRWGHQIHX-CYBMUJFWSA-N 0 3 235.375 3.085 20 0 BGADHN CCC[C@H](NCc1nc(C)c(C)[nH]1)C1CCC1 ZINC000628309160 350785260 /nfs/dbraw/zinc/78/52/60/350785260.db2.gz DIJMTKRWGHQIHX-ZDUSSCGKSA-N 0 3 235.375 3.085 20 0 BGADHN C[C@]1(NCc2cnc(C3CC3)o2)CC=CCC1 ZINC000628309424 350786131 /nfs/dbraw/zinc/78/61/31/350786131.db2.gz UPBKKAUYQLLRBA-AWEZNQCLSA-N 0 3 232.327 3.140 20 0 BGADHN C[C@@]1(NCc2cnc(C3CC3)o2)CC=CCC1 ZINC000628309425 350785857 /nfs/dbraw/zinc/78/58/57/350785857.db2.gz UPBKKAUYQLLRBA-CQSZACIVSA-N 0 3 232.327 3.140 20 0 BGADHN c1nc(C2CC2)oc1CNC1(C2CCC2)CCC1 ZINC000628309454 350786018 /nfs/dbraw/zinc/78/60/18/350786018.db2.gz WMDVFKBYWXXQMG-UHFFFAOYSA-N 0 3 246.354 3.364 20 0 BGADHN CC[C@H]1CCCC[C@H]1CNCc1ccn(CC)n1 ZINC000628309912 350791858 /nfs/dbraw/zinc/79/18/58/350791858.db2.gz BIFCCBGWSKPXNP-KBPBESRZSA-N 0 3 249.402 3.209 20 0 BGADHN CC[C@@H]1CCCC[C@H]1CNCc1ccn(CC)n1 ZINC000628309913 350791653 /nfs/dbraw/zinc/79/16/53/350791653.db2.gz BIFCCBGWSKPXNP-KGLIPLIRSA-N 0 3 249.402 3.209 20 0 BGADHN CC[C@H]1CCCC[C@@H]1CNCc1ccn(CC)n1 ZINC000628309914 350791680 /nfs/dbraw/zinc/79/16/80/350791680.db2.gz BIFCCBGWSKPXNP-UONOGXRCSA-N 0 3 249.402 3.209 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1CNCc1ccn(CC)n1 ZINC000628309915 350791818 /nfs/dbraw/zinc/79/18/18/350791818.db2.gz BIFCCBGWSKPXNP-ZIAGYGMSSA-N 0 3 249.402 3.209 20 0 BGADHN Cc1nc(C)c(CNC[C@@H]2CCC[C@H]2C2CC2)o1 ZINC000628310138 350788232 /nfs/dbraw/zinc/78/82/32/350788232.db2.gz PFKHMIWXTMQPAN-KBPBESRZSA-N 0 3 248.370 3.207 20 0 BGADHN Cc1nc(C)c(CNC[C@H]2CCC[C@H]2C2CC2)o1 ZINC000628310139 350788293 /nfs/dbraw/zinc/78/82/93/350788293.db2.gz PFKHMIWXTMQPAN-KGLIPLIRSA-N 0 3 248.370 3.207 20 0 BGADHN Cc1nc(C)c(CNC[C@@H]2CCC[C@@H]2C2CC2)o1 ZINC000628310140 350787968 /nfs/dbraw/zinc/78/79/68/350787968.db2.gz PFKHMIWXTMQPAN-UONOGXRCSA-N 0 3 248.370 3.207 20 0 BGADHN Cc1nc(C)c(CNC[C@H]2CCC[C@@H]2C2CC2)o1 ZINC000628310141 350788404 /nfs/dbraw/zinc/78/84/04/350788404.db2.gz PFKHMIWXTMQPAN-ZIAGYGMSSA-N 0 3 248.370 3.207 20 0 BGADHN C[C@H]1CC(C)(C)CN1Cc1cnc(C2CC2)o1 ZINC000628312201 350812914 /nfs/dbraw/zinc/81/29/14/350812914.db2.gz SSKHJIRWSJXPGU-JTQLQIEISA-N 0 3 234.343 3.172 20 0 BGADHN C[C@@H]1CC(C)(C)CN1Cc1cnc(C2CC2)o1 ZINC000628312202 350812693 /nfs/dbraw/zinc/81/26/93/350812693.db2.gz SSKHJIRWSJXPGU-SNVBAGLBSA-N 0 3 234.343 3.172 20 0 BGADHN Cc1ncc(CN[C@@H]2CCC[C@H]2C(C)(C)C)o1 ZINC000628312213 350812711 /nfs/dbraw/zinc/81/27/11/350812711.db2.gz SZDOVBJOYJHVJW-CHWSQXEVSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1ncc(CN[C@H]2CCC[C@H]2C(C)(C)C)o1 ZINC000628312214 350812954 /nfs/dbraw/zinc/81/29/54/350812954.db2.gz SZDOVBJOYJHVJW-OLZOCXBDSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1ncc(CN[C@@H]2CCC[C@@H]2C(C)(C)C)o1 ZINC000628312215 350812964 /nfs/dbraw/zinc/81/29/64/350812964.db2.gz SZDOVBJOYJHVJW-QWHCGFSZSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1ncc(CN[C@H]2CCC[C@@H]2C(C)(C)C)o1 ZINC000628312216 350812674 /nfs/dbraw/zinc/81/26/74/350812674.db2.gz SZDOVBJOYJHVJW-STQMWFEESA-N 0 3 236.359 3.287 20 0 BGADHN Cc1c[nH]c(CN(C)[C@@H]2CCC[C@H]2C(C)(C)C)n1 ZINC000628313921 349438324 /nfs/dbraw/zinc/43/83/24/349438324.db2.gz GYNLUASMUDTMFB-CHWSQXEVSA-N 0 3 249.402 3.365 20 0 BGADHN Cc1c[nH]c(CN(C)[C@H]2CCC[C@H]2C(C)(C)C)n1 ZINC000628313922 349438132 /nfs/dbraw/zinc/43/81/32/349438132.db2.gz GYNLUASMUDTMFB-OLZOCXBDSA-N 0 3 249.402 3.365 20 0 BGADHN Cc1c[nH]c(CN(C)[C@@H]2CCC[C@@H]2C(C)(C)C)n1 ZINC000628313923 349438108 /nfs/dbraw/zinc/43/81/08/349438108.db2.gz GYNLUASMUDTMFB-QWHCGFSZSA-N 0 3 249.402 3.365 20 0 BGADHN Cc1c[nH]c(CN(C)[C@H]2CCC[C@@H]2C(C)(C)C)n1 ZINC000628313924 349438489 /nfs/dbraw/zinc/43/84/89/349438489.db2.gz GYNLUASMUDTMFB-STQMWFEESA-N 0 3 249.402 3.365 20 0 BGADHN c1nc(C2CC2)oc1CN1CC[C@@H](C2CCC2)C1 ZINC000628314268 349458016 /nfs/dbraw/zinc/45/80/16/349458016.db2.gz SNEQSGIFNUISOS-CYBMUJFWSA-N 0 3 246.354 3.174 20 0 BGADHN c1nc(C2CC2)oc1CN1CC[C@H](C2CCC2)C1 ZINC000628314269 349458265 /nfs/dbraw/zinc/45/82/65/349458265.db2.gz SNEQSGIFNUISOS-ZDUSSCGKSA-N 0 3 246.354 3.174 20 0 BGADHN C[C@H]1[C@@H](C)N(Cc2cnc(C3CC3)o2)C[C@H]1C ZINC000628314706 350837627 /nfs/dbraw/zinc/83/76/27/350837627.db2.gz JZSFGLGEUPZZJM-GMTAPVOTSA-N 0 3 234.343 3.028 20 0 BGADHN C[C@@H]1[C@H](C)CN(Cc2cnc(C3CC3)o2)[C@H]1C ZINC000628314707 350837605 /nfs/dbraw/zinc/83/76/05/350837605.db2.gz JZSFGLGEUPZZJM-MXWKQRLJSA-N 0 3 234.343 3.028 20 0 BGADHN C[C@@H]1[C@@H](C)[C@H](C)CN1Cc1cnc(C2CC2)o1 ZINC000628314708 411386772 /nfs/dbraw/zinc/38/67/72/411386772.db2.gz JZSFGLGEUPZZJM-OUAUKWLOSA-N 0 3 234.343 3.028 20 0 BGADHN C[C@@H]1CN(Cc2cnc(C3CC3)o2)[C@@H](C)[C@H]1C ZINC000628314709 386663258 /nfs/dbraw/zinc/66/32/58/386663258.db2.gz JZSFGLGEUPZZJM-VWYCJHECSA-N 0 3 234.343 3.028 20 0 BGADHN c1nc(C2CC2)oc1CNC[C@@H]1C[C@H]1C1CCC1 ZINC000628318773 351090245 /nfs/dbraw/zinc/09/02/45/351090245.db2.gz TUKGYWBHCVUSTP-JSGCOSHPSA-N 0 3 246.354 3.078 20 0 BGADHN C[C@@H]1CCN(Cc2cnc(C3CC3)o2)[C@H](C)C1 ZINC000628319106 351106148 /nfs/dbraw/zinc/10/61/48/351106148.db2.gz LMHJLICGUIWKGX-GHMZBOCLSA-N 0 3 234.343 3.172 20 0 BGADHN c1nc(C2CC2)oc1CN1CC[C@@H]2CCCC[C@@H]21 ZINC000628321545 351183651 /nfs/dbraw/zinc/18/36/51/351183651.db2.gz ODQGFUJLMCWWQQ-FZMZJTMJSA-N 0 3 246.354 3.317 20 0 BGADHN Cc1nc(C)c(CNC[C@H]2CC3CCC2CC3)o1 ZINC000628321744 351183753 /nfs/dbraw/zinc/18/37/53/351183753.db2.gz ZYMHITWVNSBWJN-JXQTWKCFSA-N 0 3 248.370 3.207 20 0 BGADHN Cc1nc(C)c(CNC[C@@H]2CC3CCC2CC3)o1 ZINC000628321745 351183871 /nfs/dbraw/zinc/18/38/71/351183871.db2.gz ZYMHITWVNSBWJN-RUXDESIVSA-N 0 3 248.370 3.207 20 0 BGADHN CN(CCC(C)(C)C)Cc1cnc(C2CC2)o1 ZINC000628321935 351188090 /nfs/dbraw/zinc/18/80/90/351188090.db2.gz OFGPDIUSFYCGMQ-UHFFFAOYSA-N 0 3 236.359 3.420 20 0 BGADHN CC1(CC(F)F)CN(C[C@@]2(C)CCCS2)C1 ZINC000628321984 351187787 /nfs/dbraw/zinc/18/77/87/351187787.db2.gz RCXLAABVQVKWGL-GFCCVEGCSA-N 0 3 249.370 3.249 20 0 BGADHN CC1(CC(F)F)CN(C[C@]2(C)CCCS2)C1 ZINC000628321985 351188135 /nfs/dbraw/zinc/18/81/35/351188135.db2.gz RCXLAABVQVKWGL-LBPRGKRZSA-N 0 3 249.370 3.249 20 0 BGADHN Cc1ncc(CN2CC3(CC=CC3)[C@@H]2C(C)C)o1 ZINC000628322576 351211719 /nfs/dbraw/zinc/21/17/19/351211719.db2.gz BIHYYTBRPSESBM-AWEZNQCLSA-N 0 3 246.354 3.160 20 0 BGADHN Cc1ncc(CN2CC3(CC=CC3)[C@H]2C(C)C)o1 ZINC000628322577 351211372 /nfs/dbraw/zinc/21/13/72/351211372.db2.gz BIHYYTBRPSESBM-CQSZACIVSA-N 0 3 246.354 3.160 20 0 BGADHN Cc1nc(CN2CCCC[C@H]2C2CCC2)[nH]c1C ZINC000628322798 351211589 /nfs/dbraw/zinc/21/15/89/351211589.db2.gz LPOMNAAFJYHQHE-AWEZNQCLSA-N 0 3 247.386 3.181 20 0 BGADHN Cc1nc(CN2CCCC[C@@H]2C2CCC2)[nH]c1C ZINC000628322799 351211762 /nfs/dbraw/zinc/21/17/62/351211762.db2.gz LPOMNAAFJYHQHE-CQSZACIVSA-N 0 3 247.386 3.181 20 0 BGADHN Cc1ncc(CN2CCCC[C@H]2C2CCC2)o1 ZINC000628322811 351212391 /nfs/dbraw/zinc/21/23/91/351212391.db2.gz MJXBCSNMQJXGEC-AWEZNQCLSA-N 0 3 234.343 3.138 20 0 BGADHN Cc1ncc(CN2CCCC[C@@H]2C2CCC2)o1 ZINC000628322812 351212670 /nfs/dbraw/zinc/21/26/70/351212670.db2.gz MJXBCSNMQJXGEC-CQSZACIVSA-N 0 3 234.343 3.138 20 0 BGADHN Cc1nc(C)c(CN[C@@H]2C[C@H]2CC(C)(C)C)o1 ZINC000628324491 351236750 /nfs/dbraw/zinc/23/67/50/351236750.db2.gz WAYSPKOVZRUNOU-NWDGAFQWSA-N 0 3 236.359 3.206 20 0 BGADHN CC(C)(C)C[C@@H]1C[C@H]1NCc1cnc(C2CC2)o1 ZINC000628324573 351237555 /nfs/dbraw/zinc/23/75/55/351237555.db2.gz ZSUJMJNSWHEHBN-WCQYABFASA-N 0 3 248.370 3.466 20 0 BGADHN CCCN(Cc1cnc(C2CC2)o1)C(C)C ZINC000628327048 351263570 /nfs/dbraw/zinc/26/35/70/351263570.db2.gz GNJVWVZRQYKHSA-UHFFFAOYSA-N 0 3 222.332 3.172 20 0 BGADHN Cc1c[nH]c(CN2CCC[C@H]2CC2CCCC2)n1 ZINC000628328860 351267678 /nfs/dbraw/zinc/26/76/78/351267678.db2.gz XYYSEKBDEMMKER-AWEZNQCLSA-N 0 3 247.386 3.263 20 0 BGADHN Cc1c[nH]c(CN2CCC[C@@H]2CC2CCCC2)n1 ZINC000628328861 351267627 /nfs/dbraw/zinc/26/76/27/351267627.db2.gz XYYSEKBDEMMKER-CQSZACIVSA-N 0 3 247.386 3.263 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1CN(C)Cc1cnc[nH]1 ZINC000628336526 351279109 /nfs/dbraw/zinc/27/91/09/351279109.db2.gz JGHAQUXNYLAWMY-CHWSQXEVSA-N 0 3 235.375 3.058 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1CN(C)Cc1c[nH]cn1 ZINC000628336526 351279107 /nfs/dbraw/zinc/27/91/07/351279107.db2.gz JGHAQUXNYLAWMY-CHWSQXEVSA-N 0 3 235.375 3.058 20 0 BGADHN CC[C@@H]1CCCC[C@H]1CN(C)Cc1cnc[nH]1 ZINC000628336527 351279163 /nfs/dbraw/zinc/27/91/63/351279163.db2.gz JGHAQUXNYLAWMY-OLZOCXBDSA-N 0 3 235.375 3.058 20 0 BGADHN CC[C@@H]1CCCC[C@H]1CN(C)Cc1c[nH]cn1 ZINC000628336527 351279160 /nfs/dbraw/zinc/27/91/60/351279160.db2.gz JGHAQUXNYLAWMY-OLZOCXBDSA-N 0 3 235.375 3.058 20 0 BGADHN CC[C@H]1CCCC[C@@H]1CN(C)Cc1cnc[nH]1 ZINC000628336528 351278991 /nfs/dbraw/zinc/27/89/91/351278991.db2.gz JGHAQUXNYLAWMY-QWHCGFSZSA-N 0 3 235.375 3.058 20 0 BGADHN CC[C@H]1CCCC[C@@H]1CN(C)Cc1c[nH]cn1 ZINC000628336528 351278990 /nfs/dbraw/zinc/27/89/90/351278990.db2.gz JGHAQUXNYLAWMY-QWHCGFSZSA-N 0 3 235.375 3.058 20 0 BGADHN CC[C@H]1CCCC[C@H]1CN(C)Cc1cnc[nH]1 ZINC000628336529 351279007 /nfs/dbraw/zinc/27/90/07/351279007.db2.gz JGHAQUXNYLAWMY-STQMWFEESA-N 0 3 235.375 3.058 20 0 BGADHN CC[C@H]1CCCC[C@H]1CN(C)Cc1c[nH]cn1 ZINC000628336529 351279004 /nfs/dbraw/zinc/27/90/04/351279004.db2.gz JGHAQUXNYLAWMY-STQMWFEESA-N 0 3 235.375 3.058 20 0 BGADHN CC[C@@H](C)CCNCc1cnc2ccccc2n1 ZINC000628337437 351280303 /nfs/dbraw/zinc/28/03/03/351280303.db2.gz GGUNITGWSKRLCI-GFCCVEGCSA-N 0 3 243.354 3.156 20 0 BGADHN CC[C@H](C)CCNCc1cnc2ccccc2n1 ZINC000628337438 351280031 /nfs/dbraw/zinc/28/00/31/351280031.db2.gz GGUNITGWSKRLCI-LBPRGKRZSA-N 0 3 243.354 3.156 20 0 BGADHN Cc1ncc(CNCC2C[C@H](C)C[C@@H](C)C2)o1 ZINC000628337945 351281114 /nfs/dbraw/zinc/28/11/14/351281114.db2.gz VOTIZFRORXQBJE-GHMZBOCLSA-N 0 3 236.359 3.145 20 0 BGADHN Cc1ncc(CNC[C@H]2C[C@H](C)C[C@H](C)C2)o1 ZINC000628337946 351281308 /nfs/dbraw/zinc/28/13/08/351281308.db2.gz VOTIZFRORXQBJE-PJXYFTJBSA-N 0 3 236.359 3.145 20 0 BGADHN Cc1ncc(CNCC2C[C@@H](C)C[C@H](C)C2)o1 ZINC000628337947 351281227 /nfs/dbraw/zinc/28/12/27/351281227.db2.gz VOTIZFRORXQBJE-QWRGUYRKSA-N 0 3 236.359 3.145 20 0 BGADHN CC[C@H](C)CCNCc1cnc(C2CC2)o1 ZINC000628338050 351280686 /nfs/dbraw/zinc/28/06/86/351280686.db2.gz YKMFZVAWHGRARM-JTQLQIEISA-N 0 3 222.332 3.078 20 0 BGADHN CC[C@@H](C)CCNCc1cnc(C2CC2)o1 ZINC000628338051 351280679 /nfs/dbraw/zinc/28/06/79/351280679.db2.gz YKMFZVAWHGRARM-SNVBAGLBSA-N 0 3 222.332 3.078 20 0 BGADHN Cc1c[nH]c(CN2CCC(C)(C)CC(C)(C)C2)n1 ZINC000628338248 351281847 /nfs/dbraw/zinc/28/18/47/351281847.db2.gz FLWMJKVXHDDCNT-UHFFFAOYSA-N 0 3 249.402 3.366 20 0 BGADHN Cc1ncc(CN2CC[C@H](C3CCCCC3)C2)o1 ZINC000628338853 351285580 /nfs/dbraw/zinc/28/55/80/351285580.db2.gz XRBHFSMVOGGNHG-AWEZNQCLSA-N 0 3 248.370 3.385 20 0 BGADHN Cc1ncc(CN2CC[C@@H](C3CCCCC3)C2)o1 ZINC000628338854 351285707 /nfs/dbraw/zinc/28/57/07/351285707.db2.gz XRBHFSMVOGGNHG-CQSZACIVSA-N 0 3 248.370 3.385 20 0 BGADHN c1nc(C2CC2)oc1CNC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000628339398 351283161 /nfs/dbraw/zinc/28/31/61/351283161.db2.gz MTIQUCLIPBAZAQ-DYEKYZERSA-N 0 3 246.354 3.078 20 0 BGADHN c1nc(C2CC2)oc1CNC[C@@H]1CCC[C@H]2C[C@H]21 ZINC000628339401 351283259 /nfs/dbraw/zinc/28/32/59/351283259.db2.gz MTIQUCLIPBAZAQ-SGMGOOAPSA-N 0 3 246.354 3.078 20 0 BGADHN c1nc(C2CC2)oc1CNCCCC1CCC1 ZINC000628339779 351283672 /nfs/dbraw/zinc/28/36/72/351283672.db2.gz WHXQSSZORJAJFX-UHFFFAOYSA-N 0 3 234.343 3.222 20 0 BGADHN CCC1(CC)CCCN(Cc2cnc(C)o2)C1 ZINC000628340241 351283981 /nfs/dbraw/zinc/28/39/81/351283981.db2.gz ILOSPVLXWDBLEB-UHFFFAOYSA-N 0 3 236.359 3.385 20 0 BGADHN CC[C@](C)(NCc1cnc(C2CC2)o1)C1CC1 ZINC000628341973 351283662 /nfs/dbraw/zinc/28/36/62/351283662.db2.gz XPAYXFRFUVWXIC-AWEZNQCLSA-N 0 3 234.343 3.220 20 0 BGADHN CC[C@@](C)(NCc1cnc(C2CC2)o1)C1CC1 ZINC000628341974 351283755 /nfs/dbraw/zinc/28/37/55/351283755.db2.gz XPAYXFRFUVWXIC-CQSZACIVSA-N 0 3 234.343 3.220 20 0 BGADHN Cc1ncc(CN[C@@H]2CC[C@@H]2c2ccccc2)o1 ZINC000628342349 351288105 /nfs/dbraw/zinc/28/81/05/351288105.db2.gz GTAUUEVFYPVSTG-HUUCEWRRSA-N 0 3 242.322 3.019 20 0 BGADHN CC(NCc1cnc(C2CC2)o1)(C1CC1)C1CC1 ZINC000628351574 351313389 /nfs/dbraw/zinc/31/33/89/351313389.db2.gz JAWXVMBACAMXHZ-UHFFFAOYSA-N 0 3 246.354 3.220 20 0 BGADHN CC(C)CC1(NCc2cnc(C3CC3)o2)CC1 ZINC000628352176 351315407 /nfs/dbraw/zinc/31/54/07/351315407.db2.gz ZOQZGRXWHGJXEW-UHFFFAOYSA-N 0 3 234.343 3.220 20 0 BGADHN Cc1nc(CN(CCC2CC2)CC2CC2)[nH]c1C ZINC000628352808 351316673 /nfs/dbraw/zinc/31/66/73/351316673.db2.gz VLACNVGCYMMTFF-UHFFFAOYSA-N 0 3 247.386 3.039 20 0 BGADHN CN(Cc1cnc(C2CC2)o1)C[C@H]1CC1(C)C ZINC000628352940 351317430 /nfs/dbraw/zinc/31/74/30/351317430.db2.gz ACESAIFJDFFYFL-LLVKDONJSA-N 0 3 234.343 3.030 20 0 BGADHN CN(Cc1cnc(C2CC2)o1)C[C@@H]1CC1(C)C ZINC000628352941 351317400 /nfs/dbraw/zinc/31/74/00/351317400.db2.gz ACESAIFJDFFYFL-NSHDSACASA-N 0 3 234.343 3.030 20 0 BGADHN c1cc2cc(CN3CC(CC4CC4)C3)ccc2[nH]1 ZINC000628361693 351334671 /nfs/dbraw/zinc/33/46/71/351334671.db2.gz PJLNFZHXWIKPAP-UHFFFAOYSA-N 0 3 240.350 3.400 20 0 BGADHN c1nc(C2CC2)oc1CNC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000628378027 356658951 /nfs/dbraw/zinc/65/89/51/356658951.db2.gz UDSGZVIUXVLQSA-KGYLQXTDSA-N 0 3 246.354 3.078 20 0 BGADHN c1nc(C2CC2)oc1CNC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000628378029 356658942 /nfs/dbraw/zinc/65/89/42/356658942.db2.gz UDSGZVIUXVLQSA-RTXFEEFZSA-N 0 3 246.354 3.078 20 0 BGADHN Cc1ccc([C@H](C)CNCc2ccns2)cc1 ZINC000628381357 356912767 /nfs/dbraw/zinc/91/27/67/356912767.db2.gz BGXZVLLBUYLASB-GFCCVEGCSA-N 0 3 246.379 3.345 20 0 BGADHN Cc1ccc([C@@H](C)CNCc2ccns2)cc1 ZINC000628381358 356912804 /nfs/dbraw/zinc/91/28/04/356912804.db2.gz BGXZVLLBUYLASB-LBPRGKRZSA-N 0 3 246.379 3.345 20 0 BGADHN CC(C)(C)C1CC(NCc2ccns2)C1 ZINC000628381686 356935867 /nfs/dbraw/zinc/93/58/67/356935867.db2.gz PDZWBQDOUHPKRD-UHFFFAOYSA-N 0 3 224.373 3.057 20 0 BGADHN c1cc(CNC[C@@H]2C[C@H]2c2ccccc2)sn1 ZINC000628381917 356937503 /nfs/dbraw/zinc/93/75/03/356937503.db2.gz YMGLQHYZSYPRIP-JSGCOSHPSA-N 0 3 244.363 3.036 20 0 BGADHN Cc1ccc(CN2C[C@@H](C)C(F)(F)[C@@H](C)C2)o1 ZINC000628389976 357186400 /nfs/dbraw/zinc/18/64/00/357186400.db2.gz AKCQYCSNQGDZKK-AOOOYVTPSA-N 0 3 243.297 3.311 20 0 BGADHN Cc1ccc(CN2C[C@@H](C)C(F)(F)[C@H](C)C2)o1 ZINC000628389977 357186247 /nfs/dbraw/zinc/18/62/47/357186247.db2.gz AKCQYCSNQGDZKK-NXEZZACHSA-N 0 3 243.297 3.311 20 0 BGADHN Cc1ccc(CN2C[C@H](C)C(F)(F)[C@@H](C)C2)o1 ZINC000628389978 357186420 /nfs/dbraw/zinc/18/64/20/357186420.db2.gz AKCQYCSNQGDZKK-UWVGGRQHSA-N 0 3 243.297 3.311 20 0 BGADHN Cc1ccoc1CN1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000628390100 357186366 /nfs/dbraw/zinc/18/63/66/357186366.db2.gz CQMXTWMSIZGXLZ-GHMZBOCLSA-N 0 3 243.297 3.311 20 0 BGADHN Cc1ccoc1CN1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000628390101 357186326 /nfs/dbraw/zinc/18/63/26/357186326.db2.gz CQMXTWMSIZGXLZ-PHIMTYICSA-N 0 3 243.297 3.311 20 0 BGADHN Cc1ccoc1CN1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC000628390102 357186298 /nfs/dbraw/zinc/18/62/98/357186298.db2.gz CQMXTWMSIZGXLZ-QWRGUYRKSA-N 0 3 243.297 3.311 20 0 BGADHN Cc1occc1CN1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000628391495 357188547 /nfs/dbraw/zinc/18/85/47/357188547.db2.gz AFCMWZCGEIVWJK-AOOOYVTPSA-N 0 3 243.297 3.311 20 0 BGADHN Cc1occc1CN1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000628391496 357188385 /nfs/dbraw/zinc/18/83/85/357188385.db2.gz AFCMWZCGEIVWJK-NXEZZACHSA-N 0 3 243.297 3.311 20 0 BGADHN Cc1occc1CN1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC000628391497 357188201 /nfs/dbraw/zinc/18/82/01/357188201.db2.gz AFCMWZCGEIVWJK-UWVGGRQHSA-N 0 3 243.297 3.311 20 0 BGADHN CCCCOc1ccc(CN2C[C@@H]3C[C@@H]3C2)cc1 ZINC000628407264 357202113 /nfs/dbraw/zinc/20/21/13/357202113.db2.gz COJRZSZOOLSFDC-GASCZTMLSA-N 0 3 245.366 3.317 20 0 BGADHN c1cc(-c2ccccc2)oc1CN1C[C@@H]2C[C@@H]2C1 ZINC000628407565 357205039 /nfs/dbraw/zinc/20/50/39/357205039.db2.gz IRLJOPXUVIQMJA-OKILXGFUSA-N 0 3 239.318 3.398 20 0 BGADHN FC(F)(F)c1ccccc1CN1C[C@@H]2C[C@@H]2C1 ZINC000628408253 357206072 /nfs/dbraw/zinc/20/60/72/357206072.db2.gz WJFZARWGEFJSLE-PHIMTYICSA-N 0 3 241.256 3.157 20 0 BGADHN Cc1cc(Cl)cc(C)c1CN1C[C@@H]2C[C@@H]2C1 ZINC000628408695 357208442 /nfs/dbraw/zinc/20/84/42/357208442.db2.gz FZCUJIWXJSZPHG-TXEJJXNPSA-N 0 3 235.758 3.409 20 0 BGADHN CC(C)COc1ccc(CN2C[C@@H]3C[C@@H]3C2)cc1 ZINC000628408813 357208618 /nfs/dbraw/zinc/20/86/18/357208618.db2.gz HOQFODIQFDJHNQ-GASCZTMLSA-N 0 3 245.366 3.173 20 0 BGADHN CC(C)(C)c1ccc(CN2C[C@@H]3C[C@@H]3C2)s1 ZINC000628409072 357209141 /nfs/dbraw/zinc/20/91/41/357209141.db2.gz LNHXSQRFIMFBBH-PHIMTYICSA-N 0 3 235.396 3.497 20 0 BGADHN Fc1ccc2oc(CN3C[C@@H]4C[C@@H]4C3)cc2c1 ZINC000628409467 357210731 /nfs/dbraw/zinc/21/07/31/357210731.db2.gz SPLDLIMQHZXGHV-PHIMTYICSA-N 0 3 231.270 3.024 20 0 BGADHN Cc1nc2ccc(CN3C[C@@H]4C[C@@H]4C3)cc2s1 ZINC000628409908 357214287 /nfs/dbraw/zinc/21/42/87/357214287.db2.gz BUVHKWWLVRGJLK-TXEJJXNPSA-N 0 3 244.363 3.056 20 0 BGADHN Cc1cc(Cl)cc(CN2C[C@@H]3C[C@@H]3C2)c1 ZINC000628409911 357214158 /nfs/dbraw/zinc/21/41/58/357214158.db2.gz BVYVPORMLMGKMQ-TXEJJXNPSA-N 0 3 221.731 3.100 20 0 BGADHN CCCCOc1ccccc1CN1C[C@@H]2C[C@@H]2C1 ZINC000628409945 357214438 /nfs/dbraw/zinc/21/44/38/357214438.db2.gz CMLJYHUZLIANRY-GASCZTMLSA-N 0 3 245.366 3.317 20 0 BGADHN C[C@H](CN1C[C@@H]2C[C@@H]2C1)c1cc(F)cc(F)c1 ZINC000628410182 357215871 /nfs/dbraw/zinc/21/58/71/357215871.db2.gz HHPMLINWUJZBRJ-JLLWLGSASA-N 0 3 237.293 3.020 20 0 BGADHN C[C@@H](CN1C[C@@H]2C[C@@H]2C1)c1cc(F)cc(F)c1 ZINC000628410185 357215772 /nfs/dbraw/zinc/21/57/72/357215772.db2.gz HHPMLINWUJZBRJ-ZMLRMANQSA-N 0 3 237.293 3.020 20 0 BGADHN CC(C)COc1ccccc1CN1C[C@@H]2C[C@@H]2C1 ZINC000628410369 357216485 /nfs/dbraw/zinc/21/64/85/357216485.db2.gz KIBODQYNBPAQCM-GASCZTMLSA-N 0 3 245.366 3.173 20 0 BGADHN Cc1cc(Cl)ccc1CN1C[C@@H]2C[C@@H]2C1 ZINC000628410417 357216451 /nfs/dbraw/zinc/21/64/51/357216451.db2.gz KZCACEYQRVHYSU-TXEJJXNPSA-N 0 3 221.731 3.100 20 0 BGADHN CCSc1cccc(CN2C[C@@H]3C[C@@H]3C2)c1 ZINC000628410640 357215891 /nfs/dbraw/zinc/21/58/91/357215891.db2.gz OZQGUFQSHMLHSK-BETUJISGSA-N 0 3 233.380 3.250 20 0 BGADHN Cc1cc(CN2C[C@@H]3C[C@@H]3C2)ccc1Cl ZINC000628410793 357217037 /nfs/dbraw/zinc/21/70/37/357217037.db2.gz SEYGNWBWDOWDDY-TXEJJXNPSA-N 0 3 221.731 3.100 20 0 BGADHN Cc1ccc(CN2C[C@@H]3C[C@@H]3C2)cc1Cl ZINC000628410801 357216937 /nfs/dbraw/zinc/21/69/37/357216937.db2.gz SIFUNXLDAQDSPR-TXEJJXNPSA-N 0 3 221.731 3.100 20 0 BGADHN C[C@H](CN1C[C@@H]2C[C@@H]2C1)c1cccc(Cl)c1 ZINC000628410918 357217521 /nfs/dbraw/zinc/21/75/21/357217521.db2.gz VFLUIAQXXUDEAV-RTXFEEFZSA-N 0 3 235.758 3.395 20 0 BGADHN C[C@@H](CN1C[C@@H]2C[C@@H]2C1)c1cccc(Cl)c1 ZINC000628410919 357217453 /nfs/dbraw/zinc/21/74/53/357217453.db2.gz VFLUIAQXXUDEAV-WCFLWFBJSA-N 0 3 235.758 3.395 20 0 BGADHN Cc1ccc(CN2C[C@@H]3C[C@@H]3C2)c(Cl)c1 ZINC000628411712 357221990 /nfs/dbraw/zinc/22/19/90/357221990.db2.gz LUWRIGJDBDCLBS-TXEJJXNPSA-N 0 3 221.731 3.100 20 0 BGADHN CCc1cccc2cc(CN3C[C@@H]4C[C@@H]4C3)oc21 ZINC000628411902 357222964 /nfs/dbraw/zinc/22/29/64/357222964.db2.gz QDJFGIVBHZZZHK-OKILXGFUSA-N 0 3 241.334 3.447 20 0 BGADHN C[C@H](CN1Cc2ccc(O)cc2C1)C(C)(C)C ZINC000628419015 357238709 /nfs/dbraw/zinc/23/87/09/357238709.db2.gz JBVGNLAKHMWWTG-LLVKDONJSA-N 0 3 233.355 3.390 20 0 BGADHN C[C@@H](CN1Cc2ccc(O)cc2C1)C(C)(C)C ZINC000628419016 357238700 /nfs/dbraw/zinc/23/87/00/357238700.db2.gz JBVGNLAKHMWWTG-NSHDSACASA-N 0 3 233.355 3.390 20 0 BGADHN CCC[C@@H](C)CN1Cc2ccc(O)cc2C1 ZINC000628419080 357240101 /nfs/dbraw/zinc/24/01/01/357240101.db2.gz KZIHBMRDQAKETA-LLVKDONJSA-N 0 3 219.328 3.144 20 0 BGADHN CCC[C@H](C)CN1Cc2ccc(O)cc2C1 ZINC000628419081 357239841 /nfs/dbraw/zinc/23/98/41/357239841.db2.gz KZIHBMRDQAKETA-NSHDSACASA-N 0 3 219.328 3.144 20 0 BGADHN Oc1ccc2c(c1)CN(C[C@@H]1CC=CCC1)C2 ZINC000628419167 357239811 /nfs/dbraw/zinc/23/98/11/357239811.db2.gz OUPQPFGQWCOKFE-GFCCVEGCSA-N 0 3 229.323 3.064 20 0 BGADHN Oc1ccc2c(c1)CN(C[C@H]1CC=CCC1)C2 ZINC000628419168 357240033 /nfs/dbraw/zinc/24/00/33/357240033.db2.gz OUPQPFGQWCOKFE-LBPRGKRZSA-N 0 3 229.323 3.064 20 0 BGADHN Oc1cccc(CN2CCCC(F)(F)CC2)c1 ZINC000628421938 357243910 /nfs/dbraw/zinc/24/39/10/357243910.db2.gz GDCGBXBELULENI-UHFFFAOYSA-N 0 3 241.281 3.013 20 0 BGADHN Cc1ccoc1CN1CCCC(F)(F)CC1 ZINC000628422062 357244143 /nfs/dbraw/zinc/24/41/43/357244143.db2.gz KWXWZEDRWDFLDT-UHFFFAOYSA-N 0 3 229.270 3.209 20 0 BGADHN Cc1ccc(CN2CCCC(F)(F)CC2)o1 ZINC000628422094 357244401 /nfs/dbraw/zinc/24/44/01/357244401.db2.gz MTYKWOGKMKCOLX-UHFFFAOYSA-N 0 3 229.270 3.209 20 0 BGADHN CCc1ccc(CN2CCCC(F)(F)CC2)o1 ZINC000628422188 357243168 /nfs/dbraw/zinc/24/31/68/357243168.db2.gz RHVGZKVTBNBVAQ-UHFFFAOYSA-N 0 3 243.297 3.463 20 0 BGADHN Oc1ccc(CN2CCCC(F)(F)CC2)cc1 ZINC000628422335 357243403 /nfs/dbraw/zinc/24/34/03/357243403.db2.gz XXOYGXYPEUPOHP-UHFFFAOYSA-N 0 3 241.281 3.013 20 0 BGADHN Cc1occc1CN1CCCC(F)(F)CC1 ZINC000628422391 357245098 /nfs/dbraw/zinc/24/50/98/357245098.db2.gz BUINFIARGUNRPZ-UHFFFAOYSA-N 0 3 229.270 3.209 20 0 BGADHN Cc1ccc(CN2CC[C@H]3CC[C@@H](C2)S3)o1 ZINC000628422726 357244659 /nfs/dbraw/zinc/24/46/59/357244659.db2.gz IFSQMTZJOABEAW-OLZOCXBDSA-N 0 3 237.368 3.058 20 0 BGADHN Cc1ccoc1CN1CC[C@H]2CC[C@@H](C1)S2 ZINC000628422917 357244453 /nfs/dbraw/zinc/24/44/53/357244453.db2.gz RZGARHQWEQDCEA-NEPJUHHUSA-N 0 3 237.368 3.058 20 0 BGADHN Cc1occc1CN1CC[C@H]2CC[C@@H](C1)S2 ZINC000628423290 357246463 /nfs/dbraw/zinc/24/64/63/357246463.db2.gz MDGBEDWHDCYNOU-OLZOCXBDSA-N 0 3 237.368 3.058 20 0 BGADHN c1nc(C2CC2)oc1CNCC[C@@H]1CC=CCC1 ZINC000628451839 358006877 /nfs/dbraw/zinc/00/68/77/358006877.db2.gz AWGBHJRUZUAREJ-GFCCVEGCSA-N 0 3 246.354 3.388 20 0 BGADHN c1nc(C2CC2)oc1CNCC[C@H]1CC=CCC1 ZINC000628451840 358006658 /nfs/dbraw/zinc/00/66/58/358006658.db2.gz AWGBHJRUZUAREJ-LBPRGKRZSA-N 0 3 246.354 3.388 20 0 BGADHN Cc1cccc([C@@H](NC2CSC2)C(C)C)c1 ZINC000628454754 358016490 /nfs/dbraw/zinc/01/64/90/358016490.db2.gz TVFILRVYWHKAMT-AWEZNQCLSA-N 0 3 235.396 3.397 20 0 BGADHN Cc1cccc([C@H](NC2CSC2)C(C)C)c1 ZINC000628454755 358016797 /nfs/dbraw/zinc/01/67/97/358016797.db2.gz TVFILRVYWHKAMT-CQSZACIVSA-N 0 3 235.396 3.397 20 0 BGADHN C[C@]1(CNCc2cnc(C3CC3)o2)C[C@H]2C[C@H]2C1 ZINC000628460078 358087996 /nfs/dbraw/zinc/08/79/96/358087996.db2.gz GFBCKCWKPVZWDT-JYAVWHMHSA-N 0 3 246.354 3.078 20 0 BGADHN COc1cccc2c1CN(C[C@@H]1CC=CCC1)C2 ZINC000628462070 358097816 /nfs/dbraw/zinc/09/78/16/358097816.db2.gz DNOFJNYDCDMOOT-CYBMUJFWSA-N 0 3 243.350 3.367 20 0 BGADHN COc1cccc2c1CN(C[C@H]1CC=CCC1)C2 ZINC000628462071 358097903 /nfs/dbraw/zinc/09/79/03/358097903.db2.gz DNOFJNYDCDMOOT-ZDUSSCGKSA-N 0 3 243.350 3.367 20 0 BGADHN CCC[C@@H](C)CN1Cc2cccc(OC)c2C1 ZINC000628462297 358098250 /nfs/dbraw/zinc/09/82/50/358098250.db2.gz NRYRWHUPPJZCQI-GFCCVEGCSA-N 0 3 233.355 3.447 20 0 BGADHN CCC[C@H](C)CN1Cc2cccc(OC)c2C1 ZINC000628462298 358098263 /nfs/dbraw/zinc/09/82/63/358098263.db2.gz NRYRWHUPPJZCQI-LBPRGKRZSA-N 0 3 233.355 3.447 20 0 BGADHN CC[C@H](NC1CSC1)c1cc(C)ccc1C ZINC000628462476 358098330 /nfs/dbraw/zinc/09/83/30/358098330.db2.gz VPGPTOMWXMUBEM-AWEZNQCLSA-N 0 3 235.396 3.460 20 0 BGADHN CC[C@@H](NC1CSC1)c1cc(C)ccc1C ZINC000628462477 358098324 /nfs/dbraw/zinc/09/83/24/358098324.db2.gz VPGPTOMWXMUBEM-CQSZACIVSA-N 0 3 235.396 3.460 20 0 BGADHN CCC[C@@H](C)CN1CCc2c(O)cccc2C1 ZINC000628463376 358171814 /nfs/dbraw/zinc/17/18/14/358171814.db2.gz CQUJSILTPPKXSP-GFCCVEGCSA-N 0 3 233.355 3.187 20 0 BGADHN CCC[C@H](C)CN1CCc2c(O)cccc2C1 ZINC000628463377 358172126 /nfs/dbraw/zinc/17/21/26/358172126.db2.gz CQUJSILTPPKXSP-LBPRGKRZSA-N 0 3 233.355 3.187 20 0 BGADHN c1csc(CC2CN(Cc3cccs3)C2)c1 ZINC000628478824 359313564 /nfs/dbraw/zinc/31/35/64/359313564.db2.gz QPYGQSPTMZXEEW-UHFFFAOYSA-N 0 3 249.404 3.484 20 0 BGADHN c1csc(CC2CN(Cc3ccccc3)C2)c1 ZINC000628478906 359313698 /nfs/dbraw/zinc/31/36/98/359313698.db2.gz TXPBKSDZZVLKFF-UHFFFAOYSA-N 0 3 243.375 3.423 20 0 BGADHN CC1(CN2CC(Cc3cccs3)C2)CCC1 ZINC000628478947 359313677 /nfs/dbraw/zinc/31/36/77/359313677.db2.gz VGNWCLOCBXOPLA-UHFFFAOYSA-N 0 3 235.396 3.413 20 0 BGADHN CC1(CN2CC(Cc3cccs3)C2)CC1 ZINC000628478988 359313752 /nfs/dbraw/zinc/31/37/52/359313752.db2.gz WHIQBGWZHROZAY-UHFFFAOYSA-N 0 3 221.369 3.023 20 0 BGADHN CCC(O)(CC)CN(C)Cc1ccsc1C ZINC000628479801 359316143 /nfs/dbraw/zinc/31/61/43/359316143.db2.gz DFOTWSQWKBTSPZ-UHFFFAOYSA-N 0 3 241.400 3.039 20 0 BGADHN COc1ccccc1CN1CCCC2(CC2)CC1 ZINC000628480111 359314855 /nfs/dbraw/zinc/31/48/55/359314855.db2.gz LACVBNVECOPFLU-UHFFFAOYSA-N 0 3 245.366 3.461 20 0 BGADHN CCCn1cc(CN2CCCC3(CC3)CC2)cn1 ZINC000628480213 359317900 /nfs/dbraw/zinc/31/79/00/359317900.db2.gz FCCLQMBFJNLYNF-UHFFFAOYSA-N 0 3 247.386 3.059 20 0 BGADHN c1nc(C2CC2)oc1CN1CCCC2(CC2)CC1 ZINC000628480266 359317984 /nfs/dbraw/zinc/31/79/84/359317984.db2.gz JXVFCGGLAMISOG-UHFFFAOYSA-N 0 3 246.354 3.318 20 0 BGADHN COCc1ccc(CN2CCCC3(CC3)CC2)o1 ZINC000628480303 359317717 /nfs/dbraw/zinc/31/77/17/359317717.db2.gz OJTFAPIFJQBUEU-UHFFFAOYSA-N 0 3 249.354 3.192 20 0 BGADHN CC(C)n1cncc1CN1CCCC2(CC2)CC1 ZINC000628480325 359318169 /nfs/dbraw/zinc/31/81/69/359318169.db2.gz QHDSJFAILXSITO-UHFFFAOYSA-N 0 3 247.386 3.230 20 0 BGADHN CC(C)n1cc(CN2CCCC3(CC3)CC2)cn1 ZINC000628480331 359318387 /nfs/dbraw/zinc/31/83/87/359318387.db2.gz QXSOEUTWUKXBBY-UHFFFAOYSA-N 0 3 247.386 3.230 20 0 BGADHN CCCn1nccc1CN1CCCC2(CC2)CC1 ZINC000628480378 359318291 /nfs/dbraw/zinc/31/82/91/359318291.db2.gz WJURQSTVVZCEKO-UHFFFAOYSA-N 0 3 247.386 3.059 20 0 BGADHN c1nc(C2CC2)oc1CNC[C@H]1CCCC12CC2 ZINC000628494811 359681086 /nfs/dbraw/zinc/68/10/86/359681086.db2.gz ZNVNWYQFOIGLJU-GFCCVEGCSA-N 0 3 246.354 3.222 20 0 BGADHN c1nc(C2CC2)oc1CNC[C@@H]1CCCC12CC2 ZINC000628494812 359681052 /nfs/dbraw/zinc/68/10/52/359681052.db2.gz ZNVNWYQFOIGLJU-LBPRGKRZSA-N 0 3 246.354 3.222 20 0 BGADHN C/C=C\C[C@H]1CCCN(CC2(F)CC2)C1 ZINC000628494926 359692403 /nfs/dbraw/zinc/69/24/03/359692403.db2.gz CMPXOBXXUUEQAY-DLGQBQFBSA-N 0 3 211.324 3.167 20 0 BGADHN C/C=C/C[C@H]1CCCN(CC2(F)CC2)C1 ZINC000628494927 359691927 /nfs/dbraw/zinc/69/19/27/359691927.db2.gz CMPXOBXXUUEQAY-JDGPPOGSSA-N 0 3 211.324 3.167 20 0 BGADHN C/C=C/C[C@@H]1CCCN(CC2(F)CC2)C1 ZINC000628494928 359692007 /nfs/dbraw/zinc/69/20/07/359692007.db2.gz CMPXOBXXUUEQAY-QAVQXKDTSA-N 0 3 211.324 3.167 20 0 BGADHN C/C=C\C[C@@H]1CCCN(CC2(F)CC2)C1 ZINC000628494929 359691907 /nfs/dbraw/zinc/69/19/07/359691907.db2.gz CMPXOBXXUUEQAY-ZZKXABKFSA-N 0 3 211.324 3.167 20 0 BGADHN C/C=C/C[C@H]1CCCN(Cc2ccnn2CC)C1 ZINC000628494962 359692108 /nfs/dbraw/zinc/69/21/08/359692108.db2.gz FCBJJQSOBFSZQO-KQIUPUNMSA-N 0 3 247.386 3.081 20 0 BGADHN C/C=C/C[C@@H]1CCCN(Cc2ccnn2CC)C1 ZINC000628494963 359692343 /nfs/dbraw/zinc/69/23/43/359692343.db2.gz FCBJJQSOBFSZQO-LYKUJDHUSA-N 0 3 247.386 3.081 20 0 BGADHN C/C=C\C[C@H]1CCCN(Cc2ccnn2CC)C1 ZINC000628494964 359692311 /nfs/dbraw/zinc/69/23/11/359692311.db2.gz FCBJJQSOBFSZQO-MFBWXBCUSA-N 0 3 247.386 3.081 20 0 BGADHN C/C=C\C[C@@H]1CCCN(Cc2ccnn2CC)C1 ZINC000628494965 359692485 /nfs/dbraw/zinc/69/24/85/359692485.db2.gz FCBJJQSOBFSZQO-PKXJPQMGSA-N 0 3 247.386 3.081 20 0 BGADHN C/C=C\C[C@@H]1CCCN(Cc2cnc(C)o2)C1 ZINC000628495179 359696845 /nfs/dbraw/zinc/69/68/45/359696845.db2.gz KIBYQTDKTIABMS-DHCBQETCSA-N 0 3 234.343 3.161 20 0 BGADHN C/C=C/C[C@@H]1CCCN(Cc2cnc(C)o2)C1 ZINC000628495180 359696363 /nfs/dbraw/zinc/69/63/63/359696363.db2.gz KIBYQTDKTIABMS-ITDFMYJTSA-N 0 3 234.343 3.161 20 0 BGADHN C/C=C/C[C@H]1CCCN(Cc2cnc(C)o2)C1 ZINC000628495181 359696474 /nfs/dbraw/zinc/69/64/74/359696474.db2.gz KIBYQTDKTIABMS-OOPCZODUSA-N 0 3 234.343 3.161 20 0 BGADHN C/C=C\C[C@H]1CCCN(Cc2cnc(C)o2)C1 ZINC000628495182 359697251 /nfs/dbraw/zinc/69/72/51/359697251.db2.gz KIBYQTDKTIABMS-SCOBNMCVSA-N 0 3 234.343 3.161 20 0 BGADHN C=Cn1cc(CN2CCC[C@H](C/C=C/C)C2)cn1 ZINC000628495590 359696128 /nfs/dbraw/zinc/69/61/28/359696128.db2.gz VFOCGKURNIFOEP-KQIUPUNMSA-N 0 3 245.370 3.162 20 0 BGADHN C=Cn1cc(CN2CCC[C@@H](C/C=C/C)C2)cn1 ZINC000628495591 359696888 /nfs/dbraw/zinc/69/68/88/359696888.db2.gz VFOCGKURNIFOEP-LYKUJDHUSA-N 0 3 245.370 3.162 20 0 BGADHN C=Cn1cc(CN2CCC[C@H](C/C=C\C)C2)cn1 ZINC000628495592 359696828 /nfs/dbraw/zinc/69/68/28/359696828.db2.gz VFOCGKURNIFOEP-MFBWXBCUSA-N 0 3 245.370 3.162 20 0 BGADHN C=Cn1cc(CN2CCC[C@@H](C/C=C\C)C2)cn1 ZINC000628495593 359697057 /nfs/dbraw/zinc/69/70/57/359697057.db2.gz VFOCGKURNIFOEP-PKXJPQMGSA-N 0 3 245.370 3.162 20 0 BGADHN C/C=C/C[C@H]1CCCN(Cc2ccco2)C1 ZINC000628495635 359697274 /nfs/dbraw/zinc/69/72/74/359697274.db2.gz WESRJAUFQWYMDB-IBUXWKBASA-N 0 3 219.328 3.458 20 0 BGADHN C/C=C\C[C@@H]1CCCN(Cc2ccco2)C1 ZINC000628495636 359696938 /nfs/dbraw/zinc/69/69/38/359696938.db2.gz WESRJAUFQWYMDB-XQJDBVBESA-N 0 3 219.328 3.458 20 0 BGADHN C/C=C/C[C@@H]1CCCN(Cc2ccco2)C1 ZINC000628495637 359696726 /nfs/dbraw/zinc/69/67/26/359696726.db2.gz WESRJAUFQWYMDB-YWVDXFKGSA-N 0 3 219.328 3.458 20 0 BGADHN C/C=C\C[C@H]1CCCN(Cc2ccco2)C1 ZINC000628495638 359697040 /nfs/dbraw/zinc/69/70/40/359697040.db2.gz WESRJAUFQWYMDB-ZRMMWKCHSA-N 0 3 219.328 3.458 20 0 BGADHN C/C=C/C[C@H]1CCCN(Cc2cncn2CC)C1 ZINC000628495649 359696742 /nfs/dbraw/zinc/69/67/42/359696742.db2.gz WLICDEUMCHBBRG-KQIUPUNMSA-N 0 3 247.386 3.081 20 0 BGADHN C/C=C/C[C@@H]1CCCN(Cc2cncn2CC)C1 ZINC000628495650 359696756 /nfs/dbraw/zinc/69/67/56/359696756.db2.gz WLICDEUMCHBBRG-LYKUJDHUSA-N 0 3 247.386 3.081 20 0 BGADHN C/C=C\C[C@H]1CCCN(Cc2cncn2CC)C1 ZINC000628495651 359696494 /nfs/dbraw/zinc/69/64/94/359696494.db2.gz WLICDEUMCHBBRG-MFBWXBCUSA-N 0 3 247.386 3.081 20 0 BGADHN C/C=C\C[C@@H]1CCCN(Cc2cncn2CC)C1 ZINC000628495652 359696854 /nfs/dbraw/zinc/69/68/54/359696854.db2.gz WLICDEUMCHBBRG-PKXJPQMGSA-N 0 3 247.386 3.081 20 0 BGADHN CCO[C@@H](COc1cc(C)nc(C)c1C)C1CC1 ZINC000629370156 361016765 /nfs/dbraw/zinc/01/67/65/361016765.db2.gz LAXVPXQEJGEQLY-HNNXBMFYSA-N 0 3 249.354 3.201 20 0 BGADHN CCO[C@H](COc1cc(C)nc(C)c1C)C1CC1 ZINC000629370157 361016998 /nfs/dbraw/zinc/01/69/98/361016998.db2.gz LAXVPXQEJGEQLY-OAHLLOKOSA-N 0 3 249.354 3.201 20 0 BGADHN NCc1cccc2c1N(CCC1CCC1)CCC2 ZINC000629559149 397970430 /nfs/dbraw/zinc/97/04/30/397970430.db2.gz CTCKQUHJWTXJCI-UHFFFAOYSA-N 0 3 244.382 3.088 20 0 BGADHN CC(C)=CCCN1CCCc2cccc(CN)c21 ZINC000629560780 361456740 /nfs/dbraw/zinc/45/67/40/361456740.db2.gz OXTFFKXMBGYBBS-UHFFFAOYSA-N 0 3 244.382 3.254 20 0 BGADHN Cc1cc(-c2cccs2)cc2c1CNCC2 ZINC000629689786 361624242 /nfs/dbraw/zinc/62/42/42/361624242.db2.gz BFYFCADEVLEUQU-UHFFFAOYSA-N 0 3 229.348 3.369 20 0 BGADHN c1cc(-c2ccc([C@@H]3CNCCO3)cc2)cs1 ZINC000629690089 361625388 /nfs/dbraw/zinc/62/53/88/361625388.db2.gz FRZAJPBAYDQCKY-AWEZNQCLSA-N 0 3 245.347 3.076 20 0 BGADHN c1cc(-c2ccc([C@H]3CNCCO3)cc2)cs1 ZINC000629690092 361625027 /nfs/dbraw/zinc/62/50/27/361625027.db2.gz FRZAJPBAYDQCKY-CQSZACIVSA-N 0 3 245.347 3.076 20 0 BGADHN c1cc(-c2cccc([C@@H]3CNCCO3)c2)cs1 ZINC000629691296 361618474 /nfs/dbraw/zinc/61/84/74/361618474.db2.gz STSBCOAWEMPFQF-AWEZNQCLSA-N 0 3 245.347 3.076 20 0 BGADHN c1cc(-c2cccc([C@H]3CNCCO3)c2)cs1 ZINC000629691298 361618541 /nfs/dbraw/zinc/61/85/41/361618541.db2.gz STSBCOAWEMPFQF-CQSZACIVSA-N 0 3 245.347 3.076 20 0 BGADHN Cc1cc(-c2ccc3c(c2)CCNC3)cs1 ZINC000629699716 361629884 /nfs/dbraw/zinc/62/98/84/361629884.db2.gz KDRCODONVVGKFH-UHFFFAOYSA-N 0 3 229.348 3.369 20 0 BGADHN CCc1csc(-c2cccc(CN(C)C)c2)n1 ZINC000629707257 361642976 /nfs/dbraw/zinc/64/29/76/361642976.db2.gz RFBNZMHQDAXFHK-UHFFFAOYSA-N 0 3 246.379 3.434 20 0 BGADHN Cc1nc(-c2cccc(CN(C)C)c2)sc1C ZINC000629707378 361639129 /nfs/dbraw/zinc/63/91/29/361639129.db2.gz SIISFMCAMSBGIK-UHFFFAOYSA-N 0 3 246.379 3.489 20 0 BGADHN Cc1ccsc1-c1ccc2c(c1)CCNC2 ZINC000629714503 361650732 /nfs/dbraw/zinc/65/07/32/361650732.db2.gz JHXQQHAQGRMUKI-UHFFFAOYSA-N 0 3 229.348 3.369 20 0 BGADHN Cc1ccc(-c2cc(C)c3c(c2)CCNC3)o1 ZINC000629717349 361659574 /nfs/dbraw/zinc/65/95/74/361659574.db2.gz QBUWRIUIQSIKFY-UHFFFAOYSA-N 0 3 227.307 3.209 20 0 BGADHN Cc1coc(-c2cc(C)c3c(c2)CCNC3)c1 ZINC000629735795 361671996 /nfs/dbraw/zinc/67/19/96/361671996.db2.gz GLJGJFWKWWAKEW-UHFFFAOYSA-N 0 3 227.307 3.209 20 0 BGADHN CNc1cccc(-c2ccc3c(c2)CCNC3)c1 ZINC000629736203 361673413 /nfs/dbraw/zinc/67/34/13/361673413.db2.gz MDNKANMDBQCTPV-UHFFFAOYSA-N 0 3 238.334 3.041 20 0 BGADHN CN(C)Cc1ccc(F)c(-c2ccns2)c1 ZINC000629736881 361676353 /nfs/dbraw/zinc/67/63/53/361676353.db2.gz LVZYZCWTHNAQAI-UHFFFAOYSA-N 0 3 236.315 3.011 20 0 BGADHN Cc1ccc(-c2ccc3c(c2)CCNC3)s1 ZINC000629757911 361686445 /nfs/dbraw/zinc/68/64/45/361686445.db2.gz LIGHKAALTMVRNX-UHFFFAOYSA-N 0 3 229.348 3.369 20 0 BGADHN Cc1cc(-c2cccc(CN(C)C)c2)co1 ZINC000630051206 361914767 /nfs/dbraw/zinc/91/47/67/361914767.db2.gz NQLAEBKKYYQOMZ-UHFFFAOYSA-N 0 3 215.296 3.317 20 0 BGADHN Cc1cc(-c2cc(CN(C)C)ccc2F)co1 ZINC000630051757 361919288 /nfs/dbraw/zinc/91/92/88/361919288.db2.gz DDDUDSFOCBVKCN-UHFFFAOYSA-N 0 3 233.286 3.456 20 0 BGADHN Cc1csc(-c2cc(C)c3c(c2)CCNC3)n1 ZINC000630053004 361922103 /nfs/dbraw/zinc/92/21/03/361922103.db2.gz OMRFHWLPFQLBSE-UHFFFAOYSA-N 0 3 244.363 3.073 20 0 BGADHN CN(Cc1ccc(C(F)F)nc1)C(C)(C)C ZINC000630072226 363155014 /nfs/dbraw/zinc/15/50/14/363155014.db2.gz BUAMFJIJYKENQN-UHFFFAOYSA-N 0 3 228.286 3.250 20 0 BGADHN FC(F)c1ccc(CN[C@@]23C[C@@H]2CCC3)cn1 ZINC000630073092 388614506 /nfs/dbraw/zinc/61/45/06/388614506.db2.gz QVORQZFQRVIOFE-GWCFXTLKSA-N 0 3 238.281 3.051 20 0 BGADHN FC(F)c1ccc(CN[C@]23C[C@H]2CCC3)cn1 ZINC000630073095 388614440 /nfs/dbraw/zinc/61/44/40/388614440.db2.gz QVORQZFQRVIOFE-ZWNOBZJWSA-N 0 3 238.281 3.051 20 0 BGADHN Clc1cnccc1CN[C@@]12C[C@@H]1CCCC2 ZINC000630073976 363157449 /nfs/dbraw/zinc/15/74/49/363157449.db2.gz ZWLBOHQOFBHLFG-AAEUAGOBSA-N 0 3 236.746 3.157 20 0 BGADHN Clc1cnccc1CN[C@]12C[C@H]1CCCC2 ZINC000630073977 363157748 /nfs/dbraw/zinc/15/77/48/363157748.db2.gz ZWLBOHQOFBHLFG-DGCLKSJQSA-N 0 3 236.746 3.157 20 0 BGADHN CC1(C)C[C@@]1(C)NCc1ccc(C(F)F)nc1 ZINC000630074143 363157542 /nfs/dbraw/zinc/15/75/42/363157542.db2.gz MOBXGYWVDINLLF-CYBMUJFWSA-N 0 3 240.297 3.297 20 0 BGADHN CC1(C)C[C@]1(C)NCc1ccc(C(F)F)nc1 ZINC000630074144 363157652 /nfs/dbraw/zinc/15/76/52/363157652.db2.gz MOBXGYWVDINLLF-ZDUSSCGKSA-N 0 3 240.297 3.297 20 0 BGADHN CC(C)[C@H]1N(Cc2ccns2)CC12CC=CC2 ZINC000630076316 388619217 /nfs/dbraw/zinc/61/92/17/388619217.db2.gz KHWJVONAMWXDRE-CYBMUJFWSA-N 0 3 248.395 3.320 20 0 BGADHN CC(C)[C@@H]1N(Cc2ccns2)CC12CC=CC2 ZINC000630076317 388619056 /nfs/dbraw/zinc/61/90/56/388619056.db2.gz KHWJVONAMWXDRE-ZDUSSCGKSA-N 0 3 248.395 3.320 20 0 BGADHN Cc1cc(CN2CC3(CC=CC3)[C@@H]2C(C)C)on1 ZINC000630078310 363279003 /nfs/dbraw/zinc/27/90/03/363279003.db2.gz VUABDMXSTJFWOK-AWEZNQCLSA-N 0 3 246.354 3.160 20 0 BGADHN Cc1cc(CN2CC3(CC=CC3)[C@H]2C(C)C)on1 ZINC000630078316 363278977 /nfs/dbraw/zinc/27/89/77/363278977.db2.gz VUABDMXSTJFWOK-CQSZACIVSA-N 0 3 246.354 3.160 20 0 BGADHN CCO[C@@]1(C)C[C@H]1NCc1csc(C)c1C ZINC000630078333 363278135 /nfs/dbraw/zinc/27/81/35/363278135.db2.gz VWRXEYRSEKWNRL-OLZOCXBDSA-N 0 3 239.384 3.022 20 0 BGADHN Cc1cc(CNCC2C[C@H](C)C[C@@H](C)C2)on1 ZINC000630079063 363286204 /nfs/dbraw/zinc/28/62/04/363286204.db2.gz ZGFFKOODTSJRDL-GHMZBOCLSA-N 0 3 236.359 3.145 20 0 BGADHN Cc1cc(CNC[C@H]2C[C@H](C)C[C@H](C)C2)on1 ZINC000630079064 363286571 /nfs/dbraw/zinc/28/65/71/363286571.db2.gz ZGFFKOODTSJRDL-PJXYFTJBSA-N 0 3 236.359 3.145 20 0 BGADHN Cc1cc(CNCC2C[C@@H](C)C[C@H](C)C2)on1 ZINC000630079065 363287103 /nfs/dbraw/zinc/28/71/03/363287103.db2.gz ZGFFKOODTSJRDL-QWRGUYRKSA-N 0 3 236.359 3.145 20 0 BGADHN C[C@@H]1CCCC[C@H]1NCC(=O)c1ccccc1F ZINC000630093446 363525168 /nfs/dbraw/zinc/52/51/68/363525168.db2.gz ZZVRGQVYVAPFBS-BXUZGUMPSA-N 0 3 249.329 3.177 20 0 BGADHN C[C@H]1CCCC[C@@H]1NCC(=O)c1ccccc1F ZINC000630093447 363525109 /nfs/dbraw/zinc/52/51/09/363525109.db2.gz ZZVRGQVYVAPFBS-FZMZJTMJSA-N 0 3 249.329 3.177 20 0 BGADHN C[C@@H]1CCCC[C@@H]1NCC(=O)c1ccccc1F ZINC000630093455 363525634 /nfs/dbraw/zinc/52/56/34/363525634.db2.gz ZZVRGQVYVAPFBS-RISCZKNCSA-N 0 3 249.329 3.177 20 0 BGADHN C[C@H]1CCCC[C@H]1NCC(=O)c1ccccc1F ZINC000630093459 363525461 /nfs/dbraw/zinc/52/54/61/363525461.db2.gz ZZVRGQVYVAPFBS-SMDDNHRTSA-N 0 3 249.329 3.177 20 0 BGADHN CCCCc1csc(C2(N)CCCC2)n1 ZINC000630380921 364095770 /nfs/dbraw/zinc/09/57/70/364095770.db2.gz KRSVHHQTEWMMIE-UHFFFAOYSA-N 0 3 224.373 3.214 20 0 BGADHN CC1(c2csc([C@H]3CCCCN3)n2)CC1 ZINC000630381365 364095900 /nfs/dbraw/zinc/09/59/00/364095900.db2.gz MIGLBTIBHWPLCM-SECBINFHSA-N 0 3 222.357 3.009 20 0 BGADHN CC1(c2csc([C@@H]3CCCCN3)n2)CC1 ZINC000630381366 364096042 /nfs/dbraw/zinc/09/60/42/364096042.db2.gz MIGLBTIBHWPLCM-VIFPVBQESA-N 0 3 222.357 3.009 20 0 BGADHN CCCCc1csc([C@H]2CCCCN2)n1 ZINC000630381826 364095918 /nfs/dbraw/zinc/09/59/18/364095918.db2.gz YAAKKNYWZKDOGJ-LLVKDONJSA-N 0 3 224.373 3.300 20 0 BGADHN CCCCc1csc([C@@H]2CCCCN2)n1 ZINC000630381827 364095775 /nfs/dbraw/zinc/09/57/75/364095775.db2.gz YAAKKNYWZKDOGJ-NSHDSACASA-N 0 3 224.373 3.300 20 0 BGADHN Cc1ccc(CNCCCOC(C)C)c(F)c1 ZINC000631034402 370981719 /nfs/dbraw/zinc/98/17/19/370981719.db2.gz STGSUKXGGHPFLH-UHFFFAOYSA-N 0 3 239.334 3.039 20 0 BGADHN Cc1ccc(CNCCc2ccco2)c(F)c1 ZINC000631034545 370981527 /nfs/dbraw/zinc/98/15/27/370981527.db2.gz NPEPIIHSIWHJIR-UHFFFAOYSA-N 0 3 233.286 3.059 20 0 BGADHN CCNCc1oc2ccccc2c1Cl ZINC000631035035 370984800 /nfs/dbraw/zinc/98/48/00/370984800.db2.gz IISAPACJHDFAGH-UHFFFAOYSA-N 0 3 209.676 3.196 20 0 BGADHN FC(F)(F)Cc1ccccc1CN1CCCC1 ZINC000631036009 370987315 /nfs/dbraw/zinc/98/73/15/370987315.db2.gz DXGOINHTEKFXNE-UHFFFAOYSA-N 0 3 243.272 3.387 20 0 BGADHN CCOCCCCNCc1ccc(C)cc1F ZINC000631044351 371020660 /nfs/dbraw/zinc/02/06/60/371020660.db2.gz OXWOPQLGNCJORP-UHFFFAOYSA-N 0 3 239.334 3.040 20 0 BGADHN CCOCCNCc1ccc(F)c2ccccc12 ZINC000631046351 371046811 /nfs/dbraw/zinc/04/68/11/371046811.db2.gz ZVPJCNJKMNELDB-UHFFFAOYSA-N 0 3 247.313 3.105 20 0 BGADHN COCCCCCNCc1ccc(C)cc1F ZINC000631055953 371173894 /nfs/dbraw/zinc/17/38/94/371173894.db2.gz BGJGQDZBAYIWAM-UHFFFAOYSA-N 0 3 239.334 3.040 20 0 BGADHN Cc1ccc(CNCCOC(C)(C)C)c(F)c1 ZINC000631057551 371184956 /nfs/dbraw/zinc/18/49/56/371184956.db2.gz YEFBKAGOTIEJIL-UHFFFAOYSA-N 0 3 239.334 3.039 20 0 BGADHN Cc1ccc(CNC2CCSCC2)c(F)c1 ZINC000631063103 371235084 /nfs/dbraw/zinc/23/50/84/371235084.db2.gz BAEOCYUYUVUUQG-UHFFFAOYSA-N 0 3 239.359 3.119 20 0 BGADHN Cc1cc(CNCCCCC(C)(C)C)on1 ZINC000631066646 371268004 /nfs/dbraw/zinc/26/80/04/371268004.db2.gz JENJXQJTZREUAR-UHFFFAOYSA-N 0 3 224.348 3.289 20 0 BGADHN Cc1cc(CNC2(C)CCC(C)CC2)on1 ZINC000631068838 371288065 /nfs/dbraw/zinc/28/80/65/371288065.db2.gz XDECSYRGSASDFJ-UHFFFAOYSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1cc(CNCC[C@@H]2CCCC[C@@H]2C)on1 ZINC000631072303 371337421 /nfs/dbraw/zinc/33/74/21/371337421.db2.gz RZFLEBJNXLIZTN-AAEUAGOBSA-N 0 3 236.359 3.289 20 0 BGADHN Cc1cc(CNCC[C@H]2CCCC[C@H]2C)on1 ZINC000631072304 371337368 /nfs/dbraw/zinc/33/73/68/371337368.db2.gz RZFLEBJNXLIZTN-DGCLKSJQSA-N 0 3 236.359 3.289 20 0 BGADHN Cc1cc(CNCC[C@H]2CCCC[C@@H]2C)on1 ZINC000631072305 371337683 /nfs/dbraw/zinc/33/76/83/371337683.db2.gz RZFLEBJNXLIZTN-WCQYABFASA-N 0 3 236.359 3.289 20 0 BGADHN Cc1cc(CNCC[C@@H]2CCCC[C@H]2C)on1 ZINC000631072306 371337743 /nfs/dbraw/zinc/33/77/43/371337743.db2.gz RZFLEBJNXLIZTN-YPMHNXCESA-N 0 3 236.359 3.289 20 0 BGADHN Cc1cc(CNC[C@@H](C)c2cccc(C)c2)on1 ZINC000631077249 371396855 /nfs/dbraw/zinc/39/68/55/371396855.db2.gz DADONYYXCHOXNW-GFCCVEGCSA-N 0 3 244.338 3.185 20 0 BGADHN Cc1cc(CNC[C@H](C)c2cccc(C)c2)on1 ZINC000631077255 371396935 /nfs/dbraw/zinc/39/69/35/371396935.db2.gz DADONYYXCHOXNW-LBPRGKRZSA-N 0 3 244.338 3.185 20 0 BGADHN Cc1cc(CN[C@@H]2CC[C@H]3CCC[C@H]3C2)on1 ZINC000631078505 371436206 /nfs/dbraw/zinc/43/62/06/371436206.db2.gz HJSPWJOLHXHABE-FRRDWIJNSA-N 0 3 234.343 3.041 20 0 BGADHN Cc1cc(CN[C@@H]2CC[C@H]3CCC[C@@H]3C2)on1 ZINC000631078506 371435742 /nfs/dbraw/zinc/43/57/42/371435742.db2.gz HJSPWJOLHXHABE-JHJVBQTASA-N 0 3 234.343 3.041 20 0 BGADHN Cc1cc(CN[C@@H]2CC[C@@H]3CCC[C@H]3C2)on1 ZINC000631078507 371435143 /nfs/dbraw/zinc/43/51/43/371435143.db2.gz HJSPWJOLHXHABE-RWMBFGLXSA-N 0 3 234.343 3.041 20 0 BGADHN Cc1cc(CN[C@@H]2CC[C@@H]3CCC[C@@H]3C2)on1 ZINC000631078508 371435311 /nfs/dbraw/zinc/43/53/11/371435311.db2.gz HJSPWJOLHXHABE-YNEHKIRRSA-N 0 3 234.343 3.041 20 0 BGADHN Cc1cc(CN[C@H]2C[C@H]2C2CCCCC2)on1 ZINC000631078782 371441865 /nfs/dbraw/zinc/44/18/65/371441865.db2.gz JTQJXXSNTZVCAY-KBPBESRZSA-N 0 3 234.343 3.041 20 0 BGADHN Cc1cc(CN[C@H]2C[C@@H]2C2CCCCC2)on1 ZINC000631078783 371441962 /nfs/dbraw/zinc/44/19/62/371441962.db2.gz JTQJXXSNTZVCAY-KGLIPLIRSA-N 0 3 234.343 3.041 20 0 BGADHN Cc1cc(CN[C@@H]2C[C@H]2C2CCCCC2)on1 ZINC000631078784 371442187 /nfs/dbraw/zinc/44/21/87/371442187.db2.gz JTQJXXSNTZVCAY-UONOGXRCSA-N 0 3 234.343 3.041 20 0 BGADHN Cc1cc(CN[C@@H]2C[C@@H]2C2CCCCC2)on1 ZINC000631078785 371442198 /nfs/dbraw/zinc/44/21/98/371442198.db2.gz JTQJXXSNTZVCAY-ZIAGYGMSSA-N 0 3 234.343 3.041 20 0 BGADHN Cc1cc(CNCCCCC2CCCC2)on1 ZINC000631081146 371503599 /nfs/dbraw/zinc/50/35/99/371503599.db2.gz JGAXBVFQSLVDQO-UHFFFAOYSA-N 0 3 236.359 3.433 20 0 BGADHN COCCC(C)(C)NCc1ccc(C)cc1F ZINC000631084223 372077755 /nfs/dbraw/zinc/07/77/55/372077755.db2.gz YECFNZCTZLCPOM-UHFFFAOYSA-N 0 3 239.334 3.039 20 0 BGADHN Cc1ccc(CN[C@@H]2CCCSC2)c(F)c1 ZINC000631084607 372082405 /nfs/dbraw/zinc/08/24/05/372082405.db2.gz VDWKRNKJUVMADK-GFCCVEGCSA-N 0 3 239.359 3.119 20 0 BGADHN Cc1ccc(CN[C@H]2CCCSC2)c(F)c1 ZINC000631084609 372082560 /nfs/dbraw/zinc/08/25/60/372082560.db2.gz VDWKRNKJUVMADK-LBPRGKRZSA-N 0 3 239.359 3.119 20 0 BGADHN Cc1ccc(CNC[C@H]2CCCS2)c(F)c1 ZINC000631088592 344453508 /nfs/dbraw/zinc/45/35/08/344453508.db2.gz OEGCDZPLKLTGHL-GFCCVEGCSA-N 0 3 239.359 3.119 20 0 BGADHN Cc1ccc(CNC[C@@H]2CCCS2)c(F)c1 ZINC000631088593 344453467 /nfs/dbraw/zinc/45/34/67/344453467.db2.gz OEGCDZPLKLTGHL-LBPRGKRZSA-N 0 3 239.359 3.119 20 0 BGADHN Cc1ccc(CNC2(C3CC3)CC2)c(F)c1 ZINC000631089327 344886629 /nfs/dbraw/zinc/88/66/29/344886629.db2.gz BKPWJKVFIJMZRC-UHFFFAOYSA-N 0 3 219.303 3.166 20 0 BGADHN Cc1cc(CNCC2(CC(C)C)CCC2)on1 ZINC000631090188 344897071 /nfs/dbraw/zinc/89/70/71/344897071.db2.gz ZDCKDXCMKIKRGS-UHFFFAOYSA-N 0 3 236.359 3.289 20 0 BGADHN FC(F)c1ccc(CNC2(C3CC3)CC2)cn1 ZINC000631090384 344919763 /nfs/dbraw/zinc/91/97/63/344919763.db2.gz IDLLZALVTFCAIA-UHFFFAOYSA-N 0 3 238.281 3.051 20 0 BGADHN Cc1ccc(CN[C@@H]2CCC(F)(F)C2)c(F)c1 ZINC000631091292 344958876 /nfs/dbraw/zinc/95/88/76/344958876.db2.gz YVWLDCMNWIGPEC-LLVKDONJSA-N 0 3 243.272 3.412 20 0 BGADHN Cc1ccc(CN[C@H]2CCC(F)(F)C2)c(F)c1 ZINC000631091296 344958783 /nfs/dbraw/zinc/95/87/83/344958783.db2.gz YVWLDCMNWIGPEC-NSHDSACASA-N 0 3 243.272 3.412 20 0 BGADHN Cc1cc(C)c(/C=C\CN[C@@H]2CCOC2)c(C)c1 ZINC000631098833 360380393 /nfs/dbraw/zinc/38/03/93/360380393.db2.gz DKBZJPGZRFNGBW-FOSCPCJNSA-N 0 3 245.366 3.004 20 0 BGADHN Cc1cc(C)c(/C=C/CN[C@@H]2CCOC2)c(C)c1 ZINC000631098834 360380173 /nfs/dbraw/zinc/38/01/73/360380173.db2.gz DKBZJPGZRFNGBW-MBVDDHJVSA-N 0 3 245.366 3.004 20 0 BGADHN Cc1cc(C)c(/C=C/CN[C@H]2CCOC2)c(C)c1 ZINC000631098836 360380067 /nfs/dbraw/zinc/38/00/67/360380067.db2.gz DKBZJPGZRFNGBW-RGDDUWESSA-N 0 3 245.366 3.004 20 0 BGADHN Cc1cc(C)c(/C=C\CN[C@H]2CCOC2)c(C)c1 ZINC000631098838 360380385 /nfs/dbraw/zinc/38/03/85/360380385.db2.gz DKBZJPGZRFNGBW-XVWMLYKFSA-N 0 3 245.366 3.004 20 0 BGADHN Cc1cc(CNCC(C)(C)C2CCCC2)on1 ZINC000631099288 360399320 /nfs/dbraw/zinc/39/93/20/360399320.db2.gz HTLUZPDLTAGEKR-UHFFFAOYSA-N 0 3 236.359 3.289 20 0 BGADHN Cc1cc(C)c(/C=C/CN[C@H]2CCOC2)cc1C ZINC000631099303 360400286 /nfs/dbraw/zinc/40/02/86/360400286.db2.gz IEYIXEONOBKXDM-APHBUQMISA-N 0 3 245.366 3.004 20 0 BGADHN Cc1cc(C)c(/C=C\CN[C@H]2CCOC2)cc1C ZINC000631099304 360399747 /nfs/dbraw/zinc/39/97/47/360399747.db2.gz IEYIXEONOBKXDM-AWFCHZOYSA-N 0 3 245.366 3.004 20 0 BGADHN Cc1cc(C)c(/C=C/CN[C@@H]2CCOC2)cc1C ZINC000631099305 360400278 /nfs/dbraw/zinc/40/02/78/360400278.db2.gz IEYIXEONOBKXDM-DWTRPJMMSA-N 0 3 245.366 3.004 20 0 BGADHN Cc1cc(C)c(/C=C\CN[C@@H]2CCOC2)cc1C ZINC000631099434 360397866 /nfs/dbraw/zinc/39/78/66/360397866.db2.gz IEYIXEONOBKXDM-YIEVGGLXSA-N 0 3 245.366 3.004 20 0 BGADHN Cc1scc(CN[C@]2(C)CCCOC2)c1C ZINC000631106599 361168925 /nfs/dbraw/zinc/16/89/25/361168925.db2.gz WPYIOZHQHHCCIZ-CYBMUJFWSA-N 0 3 239.384 3.024 20 0 BGADHN Cc1scc(CN[C@@]2(C)CCCOC2)c1C ZINC000631106601 361168985 /nfs/dbraw/zinc/16/89/85/361168985.db2.gz WPYIOZHQHHCCIZ-ZDUSSCGKSA-N 0 3 239.384 3.024 20 0 BGADHN Cc1cc(CNC2(C)CCC(F)(F)CC2)on1 ZINC000631109410 342939023 /nfs/dbraw/zinc/93/90/23/342939023.db2.gz AKVXJGXBHLBTIV-UHFFFAOYSA-N 0 3 244.285 3.041 20 0 BGADHN Cc1scc(CN[C@@]2(C)CCO[C@H]2C)c1C ZINC000631110005 343438251 /nfs/dbraw/zinc/43/82/51/343438251.db2.gz GKMOMRQZOMDTRP-AAEUAGOBSA-N 0 3 239.384 3.022 20 0 BGADHN Cc1scc(CN[C@]2(C)CCO[C@@H]2C)c1C ZINC000631110008 343438138 /nfs/dbraw/zinc/43/81/38/343438138.db2.gz GKMOMRQZOMDTRP-DGCLKSJQSA-N 0 3 239.384 3.022 20 0 BGADHN Cc1scc(CN[C@]2(C)CCO[C@H]2C)c1C ZINC000631110011 343438548 /nfs/dbraw/zinc/43/85/48/343438548.db2.gz GKMOMRQZOMDTRP-WCQYABFASA-N 0 3 239.384 3.022 20 0 BGADHN Cc1scc(CN[C@@]2(C)CCO[C@@H]2C)c1C ZINC000631110018 343438176 /nfs/dbraw/zinc/43/81/76/343438176.db2.gz GKMOMRQZOMDTRP-YPMHNXCESA-N 0 3 239.384 3.022 20 0 BGADHN Cc1cc(CNCCC2=CCCCCC2)on1 ZINC000631111544 343690789 /nfs/dbraw/zinc/69/07/89/343690789.db2.gz AJDPFOIRTXQKDX-UHFFFAOYSA-N 0 3 234.343 3.353 20 0 BGADHN CCC1(CNCc2cc(C)no2)CCCCC1 ZINC000631111949 372202819 /nfs/dbraw/zinc/20/28/19/372202819.db2.gz MSDBDKMHFCIMLD-UHFFFAOYSA-N 0 3 236.359 3.433 20 0 BGADHN CCOC(C)(C)CNCc1ccc(C)cc1F ZINC000631118226 360541994 /nfs/dbraw/zinc/54/19/94/360541994.db2.gz VZRPZAGMAISQGH-UHFFFAOYSA-N 0 3 239.334 3.039 20 0 BGADHN CC(C)=CCCNCc1ccnn1CC1CCC1 ZINC000631119870 360683421 /nfs/dbraw/zinc/68/34/21/360683421.db2.gz DJHRWDWENOKCNL-UHFFFAOYSA-N 0 3 247.386 3.129 20 0 BGADHN CC[C@@]1(NCc2csc(C)c2C)CCOC1 ZINC000631120290 360741979 /nfs/dbraw/zinc/74/19/79/360741979.db2.gz IPSJVLJHMBOMBU-CYBMUJFWSA-N 0 3 239.384 3.024 20 0 BGADHN CC[C@]1(NCc2csc(C)c2C)CCOC1 ZINC000631120296 360741752 /nfs/dbraw/zinc/74/17/52/360741752.db2.gz IPSJVLJHMBOMBU-ZDUSSCGKSA-N 0 3 239.384 3.024 20 0 BGADHN Cc1cc(CN[C@@H](C)CC2CCCCC2)on1 ZINC000631121583 361039026 /nfs/dbraw/zinc/03/90/26/361039026.db2.gz SRFYOVMDLITUGC-NSHDSACASA-N 0 3 236.359 3.432 20 0 BGADHN CC(C)=CCNCc1ccc(C(F)F)nc1 ZINC000631121905 361050229 /nfs/dbraw/zinc/05/02/29/361050229.db2.gz TYMIEZUGKFWHFS-UHFFFAOYSA-N 0 3 226.270 3.075 20 0 BGADHN Cc1scc(CNC2CC(F)(F)C2)c1C ZINC000631122546 361127944 /nfs/dbraw/zinc/12/79/44/361127944.db2.gz SQIWUAMBPFWWBS-UHFFFAOYSA-N 0 3 231.311 3.252 20 0 BGADHN Cc1ccc(CNCC2(C(F)F)CC2)c(F)c1 ZINC000631123229 361172398 /nfs/dbraw/zinc/17/23/98/361172398.db2.gz DCUNKIABWCRXPK-UHFFFAOYSA-N 0 3 243.272 3.269 20 0 BGADHN Cc1cc(CN[C@H](C)CC2CCCCC2)on1 ZINC000631123394 361174156 /nfs/dbraw/zinc/17/41/56/361174156.db2.gz SRFYOVMDLITUGC-LLVKDONJSA-N 0 3 236.359 3.432 20 0 BGADHN Cc1cc(CNCC2(C)CCC(C)CC2)on1 ZINC000631124276 361391899 /nfs/dbraw/zinc/39/18/99/361391899.db2.gz JDGACARUKGZADP-UHFFFAOYSA-N 0 3 236.359 3.289 20 0 BGADHN Cc1cc(CNC[C@@H]2CCC[C@H](C)[C@@H]2C)on1 ZINC000631125844 351332511 /nfs/dbraw/zinc/33/25/11/351332511.db2.gz OBLNGXKKVVJITJ-DRZSPHRISA-N 0 3 236.359 3.145 20 0 BGADHN Cc1cc(CNC[C@@H]2CCC[C@@H](C)[C@H]2C)on1 ZINC000631125845 351332099 /nfs/dbraw/zinc/33/20/99/351332099.db2.gz OBLNGXKKVVJITJ-RTXFEEFZSA-N 0 3 236.359 3.145 20 0 BGADHN Cc1cc(CNC[C@@H]2CCC[C@H](C)[C@H]2C)on1 ZINC000631125846 351332173 /nfs/dbraw/zinc/33/21/73/351332173.db2.gz OBLNGXKKVVJITJ-UHTWSYAYSA-N 0 3 236.359 3.145 20 0 BGADHN Cc1cc(CNC[C@@H]2CCC[C@@H](C)[C@@H]2C)on1 ZINC000631125847 351332631 /nfs/dbraw/zinc/33/26/31/351332631.db2.gz OBLNGXKKVVJITJ-WXHSDQCUSA-N 0 3 236.359 3.145 20 0 BGADHN Cc1cc(CN[C@H]2C[C@H](c3ccccc3)C2)on1 ZINC000631127406 351392748 /nfs/dbraw/zinc/39/27/48/351392748.db2.gz SSQHJWNBARTENQ-HDJSIYSDSA-N 0 3 242.322 3.019 20 0 BGADHN COCC1(NCc2csc(C)c2C)CCC1 ZINC000631131557 372204942 /nfs/dbraw/zinc/20/49/42/372204942.db2.gz XJMZGNVSVPXNDM-UHFFFAOYSA-N 0 3 239.384 3.024 20 0 BGADHN C[C@@H](CF)NCc1ccc(F)c2ccccc12 ZINC000631136062 342921079 /nfs/dbraw/zinc/92/10/79/342921079.db2.gz HYPUWWIOLVVFTA-JTQLQIEISA-N 0 3 235.277 3.427 20 0 BGADHN C[C@H](CF)NCc1ccc(F)c2ccccc12 ZINC000631136065 342920363 /nfs/dbraw/zinc/92/03/63/342920363.db2.gz HYPUWWIOLVVFTA-SNVBAGLBSA-N 0 3 235.277 3.427 20 0 BGADHN C[C@H](CF)NCc1ccccc1CC(F)(F)F ZINC000631136802 343096631 /nfs/dbraw/zinc/09/66/31/343096631.db2.gz PHIUUKUWBUGHFT-SECBINFHSA-N 0 3 249.251 3.239 20 0 BGADHN C[C@@H](CF)NCc1ccccc1CC(F)(F)F ZINC000631136803 343096393 /nfs/dbraw/zinc/09/63/93/343096393.db2.gz PHIUUKUWBUGHFT-VIFPVBQESA-N 0 3 249.251 3.239 20 0 BGADHN CC[C@H]1CC[C@H](NCc2cc(C)no2)CC1 ZINC000631142083 537950846 /nfs/dbraw/zinc/95/08/46/537950846.db2.gz FZNMBOCWUJQNCZ-HAQNSBGRSA-N 0 3 222.332 3.041 20 0 BGADHN CCOCC(C)(C)NCc1ccc(C)cc1F ZINC000631142582 344189789 /nfs/dbraw/zinc/18/97/89/344189789.db2.gz IENNIDWRTYWOON-UHFFFAOYSA-N 0 3 239.334 3.039 20 0 BGADHN CCOCC(C)(C)NCc1csc(C)c1C ZINC000631144077 344428867 /nfs/dbraw/zinc/42/88/67/344428867.db2.gz YCYRAFXFAZFDOI-UHFFFAOYSA-N 0 3 241.400 3.270 20 0 BGADHN Cc1cc(CNC[C@@H]2C[C@H]2C2CCCCC2)on1 ZINC000631144856 344803660 /nfs/dbraw/zinc/80/36/60/344803660.db2.gz UCNNURNAHNFGMX-ZFWWWQNUSA-N 0 3 248.370 3.289 20 0 BGADHN CCC1(NCc2ccc(C(F)F)nc2)CC1 ZINC000631146238 372209021 /nfs/dbraw/zinc/20/90/21/372209021.db2.gz ATUGIFCQGCBDBL-UHFFFAOYSA-N 0 3 226.270 3.051 20 0 BGADHN Cc1scc(CNCCC(C)(F)F)c1C ZINC000631146519 344898581 /nfs/dbraw/zinc/89/85/81/344898581.db2.gz HIEYZAUBHOKVQH-UHFFFAOYSA-N 0 3 233.327 3.500 20 0 BGADHN Cc1ccc(CNCCC(C)(F)F)c(F)c1 ZINC000631148872 344935584 /nfs/dbraw/zinc/93/55/84/344935584.db2.gz WPVOCTXDESHZLH-UHFFFAOYSA-N 0 3 231.261 3.269 20 0 BGADHN Cc1scc(CNCc2ccnc(C)c2)c1C ZINC000631150295 344971025 /nfs/dbraw/zinc/97/10/25/344971025.db2.gz YPDQWVODTYEYAK-UHFFFAOYSA-N 0 3 246.379 3.358 20 0 BGADHN CC/C=C\CNCc1ccc(C(F)F)nc1 ZINC000631152120 372209930 /nfs/dbraw/zinc/20/99/30/372209930.db2.gz ZEFANRUPYMDFDL-ARJAWSKDSA-N 0 3 226.270 3.075 20 0 BGADHN CC/C=C/CNCc1ccc(C(F)F)nc1 ZINC000631152121 372210172 /nfs/dbraw/zinc/21/01/72/372210172.db2.gz ZEFANRUPYMDFDL-ONEGZZNKSA-N 0 3 226.270 3.075 20 0 BGADHN Cc1cc(CNCC2(C3CCC3)CCC2)on1 ZINC000631155857 346258714 /nfs/dbraw/zinc/25/87/14/346258714.db2.gz SVTKOZNLGPWDHR-UHFFFAOYSA-N 0 3 234.343 3.043 20 0 BGADHN CC[C@@H]1OCC[C@H]1NCc1csc(C)c1C ZINC000631157860 346893938 /nfs/dbraw/zinc/89/39/38/346893938.db2.gz HTYGLBXKMXDAJV-OLZOCXBDSA-N 0 3 239.384 3.022 20 0 BGADHN Cc1ccc(CN[C@@H]2C[C@H]2c2ccco2)c(F)c1 ZINC000631158860 349273044 /nfs/dbraw/zinc/27/30/44/349273044.db2.gz IPQOAARDZUNZGY-TZMCWYRMSA-N 0 3 245.297 3.373 20 0 BGADHN Cc1cc(CN[C@@H]2CCC[C@H]2C(C)(C)C)on1 ZINC000631158901 487970438 /nfs/dbraw/zinc/97/04/38/487970438.db2.gz JOYBTFXEIRFVCT-CHWSQXEVSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1cc(CN[C@H]2CCC[C@H]2C(C)(C)C)on1 ZINC000631158902 487970427 /nfs/dbraw/zinc/97/04/27/487970427.db2.gz JOYBTFXEIRFVCT-OLZOCXBDSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1cc(CN[C@@H]2CCC[C@@H]2C(C)(C)C)on1 ZINC000631158903 487970452 /nfs/dbraw/zinc/97/04/52/487970452.db2.gz JOYBTFXEIRFVCT-QWHCGFSZSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1cc(CN[C@H]2CCC[C@@H]2C(C)(C)C)on1 ZINC000631158904 487970334 /nfs/dbraw/zinc/97/03/34/487970334.db2.gz JOYBTFXEIRFVCT-STQMWFEESA-N 0 3 236.359 3.287 20 0 BGADHN Cc1ccc(CN[C@H]2CS[C@@H](C)C2)c(F)c1 ZINC000631160178 360086803 /nfs/dbraw/zinc/08/68/03/360086803.db2.gz CJJCSJOOZHAGIM-CMPLNLGQSA-N 0 3 239.359 3.118 20 0 BGADHN Cc1ccc(CN[C@@H]2CS[C@@H](C)C2)c(F)c1 ZINC000631160179 360086623 /nfs/dbraw/zinc/08/66/23/360086623.db2.gz CJJCSJOOZHAGIM-JQWIXIFHSA-N 0 3 239.359 3.118 20 0 BGADHN Cc1ccc(CN[C@@H]2CS[C@H](C)C2)c(F)c1 ZINC000631160180 360087021 /nfs/dbraw/zinc/08/70/21/360087021.db2.gz CJJCSJOOZHAGIM-PWSUYJOCSA-N 0 3 239.359 3.118 20 0 BGADHN Cc1ccc(CN[C@H]2CS[C@H](C)C2)c(F)c1 ZINC000631160181 360086601 /nfs/dbraw/zinc/08/66/01/360086601.db2.gz CJJCSJOOZHAGIM-ZYHUDNBSSA-N 0 3 239.359 3.118 20 0 BGADHN Cc1scc(CN[C@@H]2CC23CC3)c1C ZINC000631163539 360734726 /nfs/dbraw/zinc/73/47/26/360734726.db2.gz RBNMJFLEBHTLDS-LLVKDONJSA-N 0 3 207.342 3.007 20 0 BGADHN Cc1scc(CN[C@H]2CC23CC3)c1C ZINC000631163540 360734878 /nfs/dbraw/zinc/73/48/78/360734878.db2.gz RBNMJFLEBHTLDS-NSHDSACASA-N 0 3 207.342 3.007 20 0 BGADHN Cc1scc(CN[C@@H](C)[C@H]2CC2(F)F)c1C ZINC000631163867 360759325 /nfs/dbraw/zinc/75/93/25/360759325.db2.gz PXJWQYUWDPHXIN-GZMMTYOYSA-N 0 3 245.338 3.498 20 0 BGADHN Cc1scc(CN[C@H](C)[C@@H]2CC2(F)F)c1C ZINC000631163870 360760738 /nfs/dbraw/zinc/76/07/38/360760738.db2.gz PXJWQYUWDPHXIN-KCJUWKMLSA-N 0 3 245.338 3.498 20 0 BGADHN Cc1scc(CN[C@@H](C)[C@@H]2CC2(F)F)c1C ZINC000631163873 360760748 /nfs/dbraw/zinc/76/07/48/360760748.db2.gz PXJWQYUWDPHXIN-KWQFWETISA-N 0 3 245.338 3.498 20 0 BGADHN Cc1scc(CN[C@H](C)[C@H]2CC2(F)F)c1C ZINC000631163875 360760618 /nfs/dbraw/zinc/76/06/18/360760618.db2.gz PXJWQYUWDPHXIN-LDYMZIIASA-N 0 3 245.338 3.498 20 0 BGADHN Cc1ccc(CN[C@@H]2C[C@H]3C[C@H]3C2)c(F)c1 ZINC000631164082 372213654 /nfs/dbraw/zinc/21/36/54/372213654.db2.gz MCIJPDILSSLKMN-CLLJXQQHSA-N 0 3 219.303 3.022 20 0 BGADHN Cc1ccc(CN[C@H]2CCS[C@H]2C)c(F)c1 ZINC000631167335 372216347 /nfs/dbraw/zinc/21/63/47/372216347.db2.gz WBCUHHYNABWJCU-GWCFXTLKSA-N 0 3 239.359 3.118 20 0 BGADHN Cc1ccc(CN[C@@H]2CCS[C@H]2C)c(F)c1 ZINC000631167336 372215168 /nfs/dbraw/zinc/21/51/68/372215168.db2.gz WBCUHHYNABWJCU-GXFFZTMASA-N 0 3 239.359 3.118 20 0 BGADHN Cc1ccc(CN[C@H]2CCS[C@@H]2C)c(F)c1 ZINC000631167337 372215744 /nfs/dbraw/zinc/21/57/44/372215744.db2.gz WBCUHHYNABWJCU-MFKMUULPSA-N 0 3 239.359 3.118 20 0 BGADHN Cc1ccc(CN[C@@H]2CCS[C@@H]2C)c(F)c1 ZINC000631167338 372215778 /nfs/dbraw/zinc/21/57/78/372215778.db2.gz WBCUHHYNABWJCU-ZWNOBZJWSA-N 0 3 239.359 3.118 20 0 BGADHN CC(C)(F)CCNCc1ccc(C(F)F)nc1 ZINC000631172984 372215852 /nfs/dbraw/zinc/21/58/52/372215852.db2.gz HLNVPNUFYFYBBA-UHFFFAOYSA-N 0 3 246.276 3.247 20 0 BGADHN Cc1ccc(CN[C@@]23C[C@@H]2CCC3)c(F)c1 ZINC000631173208 372218337 /nfs/dbraw/zinc/21/83/37/372218337.db2.gz XAYSURZAWZGKMS-JSGCOSHPSA-N 0 3 219.303 3.166 20 0 BGADHN Cc1ccc(CN[C@]23C[C@H]2CCC3)c(F)c1 ZINC000631173211 361702205 /nfs/dbraw/zinc/70/22/05/361702205.db2.gz XAYSURZAWZGKMS-TZMCWYRMSA-N 0 3 219.303 3.166 20 0 BGADHN Cc1ccc(CNC[C@@]2(C)CC2(F)F)c(F)c1 ZINC000631174980 351267001 /nfs/dbraw/zinc/26/70/01/351267001.db2.gz QSMMKGHCMDIBHY-GFCCVEGCSA-N 0 3 243.272 3.269 20 0 BGADHN Cc1ccc(CNC[C@]2(C)CC2(F)F)c(F)c1 ZINC000631174982 351267077 /nfs/dbraw/zinc/26/70/77/351267077.db2.gz QSMMKGHCMDIBHY-LBPRGKRZSA-N 0 3 243.272 3.269 20 0 BGADHN Cc1ccc(CNCCc2ccoc2)c(F)c1 ZINC000631175233 372217486 /nfs/dbraw/zinc/21/74/86/372217486.db2.gz UQBPBPADUSWERI-UHFFFAOYSA-N 0 3 233.286 3.059 20 0 BGADHN Cc1cc(CN[C@@H]2CC[C@@H]2c2ccccc2)on1 ZINC000631176733 372218471 /nfs/dbraw/zinc/21/84/71/372218471.db2.gz VMSZYWHSUUCGKS-HUUCEWRRSA-N 0 3 242.322 3.019 20 0 BGADHN COc1cncc(CNC2(CC(C)C)CC2)c1C ZINC000631177080 351341594 /nfs/dbraw/zinc/34/15/94/351341594.db2.gz KKIRXDDEPIFELM-UHFFFAOYSA-N 0 3 248.370 3.067 20 0 BGADHN Cc1ccc(CN[C@@H]2[C@@H]3CCC[C@@H]32)c(F)c1 ZINC000631178379 372220034 /nfs/dbraw/zinc/22/00/34/372220034.db2.gz RGPITDBDOQURSC-DABQJJPHSA-N 0 3 219.303 3.022 20 0 BGADHN Cc1ccc(CN[C@H]2[C@@H]3CCC[C@@H]32)c(F)c1 ZINC000631178380 372219600 /nfs/dbraw/zinc/21/96/00/372219600.db2.gz RGPITDBDOQURSC-IMRBUKKESA-N 0 3 219.303 3.022 20 0 BGADHN FC(F)c1ccc(CNCC2=CCCC2)cn1 ZINC000631179063 385841929 /nfs/dbraw/zinc/84/19/29/385841929.db2.gz XUDSXBMVJTWLFP-UHFFFAOYSA-N 0 3 238.281 3.219 20 0 BGADHN CC1(C)CC(NCc2ccc(C(F)F)nc2)C1 ZINC000631179171 385841393 /nfs/dbraw/zinc/84/13/93/385841393.db2.gz RAJARCWDSPTRIE-UHFFFAOYSA-N 0 3 240.297 3.297 20 0 BGADHN Cc1ccc(CNCC[C@@H]2CC2(F)F)c(F)c1 ZINC000631179948 355886311 /nfs/dbraw/zinc/88/63/11/355886311.db2.gz ZIPKAUAOZDHZNN-LLVKDONJSA-N 0 3 243.272 3.269 20 0 BGADHN Cc1ccc(CNCC[C@H]2CC2(F)F)c(F)c1 ZINC000631179949 355885732 /nfs/dbraw/zinc/88/57/32/355885732.db2.gz ZIPKAUAOZDHZNN-NSHDSACASA-N 0 3 243.272 3.269 20 0 BGADHN CCC(NCc1cc(C)no1)(C1CC1)C1CC1 ZINC000631180121 356384824 /nfs/dbraw/zinc/38/48/24/356384824.db2.gz CFPXJSPMDXKPON-UHFFFAOYSA-N 0 3 234.343 3.041 20 0 BGADHN Cc1cc(CNCC[C@H]2CCCC2(C)C)on1 ZINC000631180664 356453790 /nfs/dbraw/zinc/45/37/90/356453790.db2.gz UUFRVLLMWCYDQN-GFCCVEGCSA-N 0 3 236.359 3.289 20 0 BGADHN Cc1cc(CNCC[C@@H]2CCCC2(C)C)on1 ZINC000631180666 356453611 /nfs/dbraw/zinc/45/36/11/356453611.db2.gz UUFRVLLMWCYDQN-LBPRGKRZSA-N 0 3 236.359 3.289 20 0 BGADHN Cc1cc(CNCC(C2CCC2)C2CCC2)on1 ZINC000631182462 387701929 /nfs/dbraw/zinc/70/19/29/387701929.db2.gz ZLMBZBXTVIAVMC-UHFFFAOYSA-N 0 3 248.370 3.289 20 0 BGADHN CC(C)(F)CNCc1ccc2[nH]ccc2c1 ZINC000631188377 372223309 /nfs/dbraw/zinc/22/33/09/372223309.db2.gz DRXXREMKYFGQCJ-UHFFFAOYSA-N 0 3 220.291 3.006 20 0 BGADHN CC(C)(F)CNCc1cccc2cnccc21 ZINC000631188395 360111543 /nfs/dbraw/zinc/11/15/43/360111543.db2.gz ACPDARNTSYGDCC-UHFFFAOYSA-N 0 3 232.302 3.073 20 0 BGADHN CC(C)(F)CNCc1cc2ccccc2[nH]1 ZINC000631188428 360111587 /nfs/dbraw/zinc/11/15/87/360111587.db2.gz APYKDKBYZHFVRZ-UHFFFAOYSA-N 0 3 220.291 3.006 20 0 BGADHN CC(C)(F)CNCc1ccnc2ccccc12 ZINC000631188430 360111549 /nfs/dbraw/zinc/11/15/49/360111549.db2.gz AQARQCDHAXXDOK-UHFFFAOYSA-N 0 3 232.302 3.073 20 0 BGADHN CC(C)(F)CNCc1cccc2cc[nH]c21 ZINC000631188516 360126117 /nfs/dbraw/zinc/12/61/17/360126117.db2.gz BXUKRMGUAIDUSJ-UHFFFAOYSA-N 0 3 220.291 3.006 20 0 BGADHN CC(C)(F)CNCc1ccc(C(F)F)cc1 ZINC000631188570 360107034 /nfs/dbraw/zinc/10/70/34/360107034.db2.gz GDPCZZWCKZAOBD-UHFFFAOYSA-N 0 3 231.261 3.462 20 0 BGADHN CC(C)(F)CNCc1coc2ccccc12 ZINC000631188572 372223200 /nfs/dbraw/zinc/22/32/00/372223200.db2.gz CSUGXORCJJVOLB-UHFFFAOYSA-N 0 3 221.275 3.271 20 0 BGADHN CC(C)(F)CNC/C=C\c1ccc(F)cc1F ZINC000631188574 372222873 /nfs/dbraw/zinc/22/28/73/372222873.db2.gz CSZBRAKHMURHOW-ARJAWSKDSA-N 0 3 243.272 3.316 20 0 BGADHN CC(C)(F)CNC/C=C/c1ccc(F)cc1F ZINC000631188576 372222558 /nfs/dbraw/zinc/22/25/58/372222558.db2.gz CSZBRAKHMURHOW-ONEGZZNKSA-N 0 3 243.272 3.316 20 0 BGADHN Cc1cc(CNCC(C)(C)F)c(C)s1 ZINC000631188584 372223087 /nfs/dbraw/zinc/22/30/87/372223087.db2.gz CXHAAUZXIPPXDN-UHFFFAOYSA-N 0 3 215.337 3.203 20 0 BGADHN CSc1ccc(CNCC(C)(C)F)s1 ZINC000631188586 372223253 /nfs/dbraw/zinc/22/32/53/372223253.db2.gz CYMRVDJCFIWKCA-UHFFFAOYSA-N 0 3 233.377 3.308 20 0 BGADHN CC(C)(F)CNCc1cc2ccncc2s1 ZINC000631188618 372222829 /nfs/dbraw/zinc/22/28/29/372222829.db2.gz GYMQIGUJTUNSHP-UHFFFAOYSA-N 0 3 238.331 3.134 20 0 BGADHN Cc1scc(CNCC(C)(C)F)c1C ZINC000631188690 360150763 /nfs/dbraw/zinc/15/07/63/360150763.db2.gz KNCBZWJKEZMETJ-UHFFFAOYSA-N 0 3 215.337 3.203 20 0 BGADHN CC(C)(F)CNCc1ccc2cc[nH]c2c1 ZINC000631188971 360336998 /nfs/dbraw/zinc/33/69/98/360336998.db2.gz NMTHEOWCZCCCMY-UHFFFAOYSA-N 0 3 220.291 3.006 20 0 BGADHN CC(C)(F)CNCc1ccc2occc2c1 ZINC000631188976 360337043 /nfs/dbraw/zinc/33/70/43/360337043.db2.gz NQGFSLSFYUUJIS-UHFFFAOYSA-N 0 3 221.275 3.271 20 0 BGADHN CC(C)Oc1cccc(CNCC(C)(C)F)c1 ZINC000631189005 372221573 /nfs/dbraw/zinc/22/15/73/372221573.db2.gz ISIAPRBFXTWSFN-UHFFFAOYSA-N 0 3 239.334 3.312 20 0 BGADHN CC(C)(F)CNCc1cccc2[nH]ccc21 ZINC000631189020 360335268 /nfs/dbraw/zinc/33/52/68/360335268.db2.gz JAVAJRHZPKCLSN-UHFFFAOYSA-N 0 3 220.291 3.006 20 0 BGADHN C/C(=C\c1ccccc1)CNCC(C)(C)F ZINC000631189111 360343436 /nfs/dbraw/zinc/34/34/36/360343436.db2.gz KOLOPNCDPCGESQ-FMIVXFBMSA-N 0 3 221.319 3.428 20 0 BGADHN C/C(=C/c1ccccc1)CNCC(C)(C)F ZINC000631189115 360343632 /nfs/dbraw/zinc/34/36/32/360343632.db2.gz KOLOPNCDPCGESQ-XFXZXTDPSA-N 0 3 221.319 3.428 20 0 BGADHN CC(C)(F)CNCc1ccc2cnccc2c1 ZINC000631189189 360372105 /nfs/dbraw/zinc/37/21/05/360372105.db2.gz MFBKMOJOBGJGDF-UHFFFAOYSA-N 0 3 232.302 3.073 20 0 BGADHN Cc1cccc2[nH]c(CNCC(C)(C)F)cc21 ZINC000631189256 372223190 /nfs/dbraw/zinc/22/31/90/372223190.db2.gz QUCBMIVDSJFLEC-UHFFFAOYSA-N 0 3 234.318 3.314 20 0 BGADHN CC(C)(F)CNCc1ccc(OC(F)F)cc1 ZINC000631189329 360378760 /nfs/dbraw/zinc/37/87/60/360378760.db2.gz AJZADTBZOVJRQB-UHFFFAOYSA-N 0 3 247.260 3.126 20 0 BGADHN CC(C)(F)CNC/C=C/c1ccccc1 ZINC000631189401 372224916 /nfs/dbraw/zinc/22/49/16/372224916.db2.gz PAORMJLKQKFCLY-RMKNXTFCSA-N 0 3 207.292 3.038 20 0 BGADHN CC(C)(F)CNC/C=C\c1ccccc1 ZINC000631189402 372225069 /nfs/dbraw/zinc/22/50/69/372225069.db2.gz PAORMJLKQKFCLY-TWGQIWQCSA-N 0 3 207.292 3.038 20 0 BGADHN CCc1ccc(CNCC(C)(C)F)s1 ZINC000631189509 360436609 /nfs/dbraw/zinc/43/66/09/360436609.db2.gz QAVVLSLITVHHSN-UHFFFAOYSA-N 0 3 215.337 3.148 20 0 BGADHN CC(C)(F)CNC/C=C\c1ccc(F)c(F)c1 ZINC000631189530 360467334 /nfs/dbraw/zinc/46/73/34/360467334.db2.gz SEPBEFNKJSSMKM-ARJAWSKDSA-N 0 3 243.272 3.316 20 0 BGADHN CC(C)(F)CNC/C=C/c1ccc(F)c(F)c1 ZINC000631189534 360468216 /nfs/dbraw/zinc/46/82/16/360468216.db2.gz SEPBEFNKJSSMKM-ONEGZZNKSA-N 0 3 243.272 3.316 20 0 BGADHN Cc1ccc2cc(CNCC(C)(C)F)ccc2n1 ZINC000631189712 372222489 /nfs/dbraw/zinc/22/24/89/372222489.db2.gz RTOPJVVDADRUNO-UHFFFAOYSA-N 0 3 246.329 3.381 20 0 BGADHN CSc1ccc(CNCC(C)(C)F)cc1 ZINC000631189800 372224155 /nfs/dbraw/zinc/22/41/55/372224155.db2.gz DJUOKMHBNHBJJH-UHFFFAOYSA-N 0 3 227.348 3.246 20 0 BGADHN COc1ccc(CNCC(C)(C)F)cc1Cl ZINC000631189851 360534241 /nfs/dbraw/zinc/53/42/41/360534241.db2.gz UGCAMNFNPOKVRH-UHFFFAOYSA-N 0 3 245.725 3.186 20 0 BGADHN Cc1cc(CNCC(C)(C)F)cc2cccnc12 ZINC000631189883 398221541 /nfs/dbraw/zinc/22/15/41/398221541.db2.gz URFNIUUNGOMPDP-UHFFFAOYSA-N 0 3 246.329 3.381 20 0 BGADHN Cc1ccc2cc(CNCC(C)(C)F)[nH]c2c1 ZINC000631190043 360536398 /nfs/dbraw/zinc/53/63/98/360536398.db2.gz ZXYVOAOXUOBHAX-UHFFFAOYSA-N 0 3 234.318 3.314 20 0 BGADHN C[C@@H](Cc1ccc(F)cc1)NCC(C)(C)F ZINC000631190089 372224447 /nfs/dbraw/zinc/22/44/47/372224447.db2.gz WRUGIXFAUVEMKB-JTQLQIEISA-N 0 3 227.298 3.094 20 0 BGADHN C[C@H](Cc1ccc(F)cc1)NCC(C)(C)F ZINC000631190090 372224199 /nfs/dbraw/zinc/22/41/99/372224199.db2.gz WRUGIXFAUVEMKB-SNVBAGLBSA-N 0 3 227.298 3.094 20 0 BGADHN COc1ccccc1/C=C/CNCC(C)(C)F ZINC000631190118 372225133 /nfs/dbraw/zinc/22/51/33/372225133.db2.gz XQUIEGVUSIXCLI-SOFGYWHQSA-N 0 3 237.318 3.046 20 0 BGADHN COc1ccccc1/C=C\CNCC(C)(C)F ZINC000631190119 372224829 /nfs/dbraw/zinc/22/48/29/372224829.db2.gz XQUIEGVUSIXCLI-VURMDHGXSA-N 0 3 237.318 3.046 20 0 BGADHN CC(C)(F)CNCc1cccc(OC(F)F)c1 ZINC000631190154 372225097 /nfs/dbraw/zinc/22/50/97/372225097.db2.gz YGSJIMQAGKYYEK-UHFFFAOYSA-N 0 3 247.260 3.126 20 0 BGADHN CC(C)(F)CNCc1ccc2ncccc2c1 ZINC000631190198 372225123 /nfs/dbraw/zinc/22/51/23/372225123.db2.gz GYWJGAQDAYAFQX-UHFFFAOYSA-N 0 3 232.302 3.073 20 0 BGADHN CC(C)(F)CNC/C=C\c1ccc(F)cc1 ZINC000631190326 360536483 /nfs/dbraw/zinc/53/64/83/360536483.db2.gz YSIQWJXEGSBHGJ-ARJAWSKDSA-N 0 3 225.282 3.177 20 0 BGADHN CC(C)(F)CNC/C=C/c1ccc(F)cc1 ZINC000631190330 360536579 /nfs/dbraw/zinc/53/65/79/360536579.db2.gz YSIQWJXEGSBHGJ-ONEGZZNKSA-N 0 3 225.282 3.177 20 0 BGADHN CC(C)Oc1ccc(CNCC(C)(C)F)cc1 ZINC000631190652 360543154 /nfs/dbraw/zinc/54/31/54/360543154.db2.gz LRDWZFLZHQNOKH-UHFFFAOYSA-N 0 3 239.334 3.312 20 0 BGADHN CC(C)(F)CNCc1cccc2cccnc21 ZINC000631190699 372224852 /nfs/dbraw/zinc/22/48/52/372224852.db2.gz MIWYTDWNPBMRCL-UHFFFAOYSA-N 0 3 232.302 3.073 20 0 BGADHN CCc1ccc(CN[C@@H]2CCCC23CC3)o1 ZINC000631190737 360546130 /nfs/dbraw/zinc/54/61/30/360546130.db2.gz BKSHTTVXQSCKAN-CYBMUJFWSA-N 0 3 219.328 3.264 20 0 BGADHN CCc1ccc(CN[C@H]2CCCC23CC3)o1 ZINC000631190738 360546189 /nfs/dbraw/zinc/54/61/89/360546189.db2.gz BKSHTTVXQSCKAN-ZDUSSCGKSA-N 0 3 219.328 3.264 20 0 BGADHN C(N[C@@H]1CCCC12CC2)c1nc2c(s1)CCC2 ZINC000631192217 372225781 /nfs/dbraw/zinc/22/57/81/372225781.db2.gz JVQZBAQSOIIEPI-GFCCVEGCSA-N 0 3 248.395 3.054 20 0 BGADHN C(N[C@H]1CCCC12CC2)c1nc2c(s1)CCC2 ZINC000631192218 372227206 /nfs/dbraw/zinc/22/72/06/372227206.db2.gz JVQZBAQSOIIEPI-LBPRGKRZSA-N 0 3 248.395 3.054 20 0 BGADHN Cc1ccc(CN[C@@H]2CCCC23CC3)o1 ZINC000631192323 360575293 /nfs/dbraw/zinc/57/52/93/360575293.db2.gz MSTPVYQVXIRDJJ-GFCCVEGCSA-N 0 3 205.301 3.010 20 0 BGADHN Cc1ccc(CN[C@H]2CCCC23CC3)o1 ZINC000631192327 360575315 /nfs/dbraw/zinc/57/53/15/360575315.db2.gz MSTPVYQVXIRDJJ-LBPRGKRZSA-N 0 3 205.301 3.010 20 0 BGADHN Clc1cnccc1CN[C@@H]1CCCC12CC2 ZINC000631194350 372227009 /nfs/dbraw/zinc/22/70/09/372227009.db2.gz YOTGNASJSNGYPB-GFCCVEGCSA-N 0 3 236.746 3.157 20 0 BGADHN Clc1cnccc1CN[C@H]1CCCC12CC2 ZINC000631194351 372226434 /nfs/dbraw/zinc/22/64/34/372226434.db2.gz YOTGNASJSNGYPB-LBPRGKRZSA-N 0 3 236.746 3.157 20 0 BGADHN CCC[C@H](CCO)NCc1cc2ccccc2o1 ZINC000631197330 372228360 /nfs/dbraw/zinc/22/83/60/372228360.db2.gz UYCWJZHIXGZZBY-CYBMUJFWSA-N 0 3 247.338 3.074 20 0 BGADHN CCC[C@@H](CCO)NCc1cc2ccccc2o1 ZINC000631197331 372227944 /nfs/dbraw/zinc/22/79/44/372227944.db2.gz UYCWJZHIXGZZBY-ZDUSSCGKSA-N 0 3 247.338 3.074 20 0 BGADHN CCC[C@@H](CCO)NCc1ccsc1Cl ZINC000631197708 372228962 /nfs/dbraw/zinc/22/89/62/372228962.db2.gz DWPAVWQAXLDSEF-JTQLQIEISA-N 0 3 247.791 3.042 20 0 BGADHN CCC[C@H](CCO)NCc1ccsc1Cl ZINC000631197709 372227648 /nfs/dbraw/zinc/22/76/48/372227648.db2.gz DWPAVWQAXLDSEF-SNVBAGLBSA-N 0 3 247.791 3.042 20 0 BGADHN CCC[C@@H](CCO)N[C@H](C)c1ccccc1F ZINC000631197907 372228278 /nfs/dbraw/zinc/22/82/78/372228278.db2.gz GBCTZRMAPKJLRR-NEPJUHHUSA-N 0 3 239.334 3.027 20 0 BGADHN CCC[C@H](CCO)N[C@@H](C)c1ccccc1F ZINC000631197910 372228878 /nfs/dbraw/zinc/22/88/78/372228878.db2.gz GBCTZRMAPKJLRR-NWDGAFQWSA-N 0 3 239.334 3.027 20 0 BGADHN CCC[C@@H](CCO)N[C@@H](C)c1ccccc1F ZINC000631197911 372228786 /nfs/dbraw/zinc/22/87/86/372228786.db2.gz GBCTZRMAPKJLRR-RYUDHWBXSA-N 0 3 239.334 3.027 20 0 BGADHN CCC[C@H](CCO)N[C@H](C)c1ccccc1F ZINC000631197912 372229851 /nfs/dbraw/zinc/22/98/51/372229851.db2.gz GBCTZRMAPKJLRR-VXGBXAGGSA-N 0 3 239.334 3.027 20 0 BGADHN CCC[C@@H](CCO)NCc1cscc1Cl ZINC000631198638 360753960 /nfs/dbraw/zinc/75/39/60/360753960.db2.gz LCLQXXSWVZYBNQ-JTQLQIEISA-N 0 3 247.791 3.042 20 0 BGADHN CCC[C@H](CCO)NCc1cscc1Cl ZINC000631198639 360754238 /nfs/dbraw/zinc/75/42/38/360754238.db2.gz LCLQXXSWVZYBNQ-SNVBAGLBSA-N 0 3 247.791 3.042 20 0 BGADHN CCC[C@H](CCO)NCc1sccc1Cl ZINC000631198707 360757143 /nfs/dbraw/zinc/75/71/43/360757143.db2.gz LYMHRSNOCSUZBQ-SECBINFHSA-N 0 3 247.791 3.042 20 0 BGADHN CCC[C@@H](CCO)NCc1sccc1Cl ZINC000631198708 360756801 /nfs/dbraw/zinc/75/68/01/360756801.db2.gz LYMHRSNOCSUZBQ-VIFPVBQESA-N 0 3 247.791 3.042 20 0 BGADHN CCc1nocc1CNCCC(C)(C)CC ZINC000631205509 372235643 /nfs/dbraw/zinc/23/56/43/372235643.db2.gz BCLNVAJQQOOSCQ-UHFFFAOYSA-N 0 3 224.348 3.153 20 0 BGADHN CCC(C)(C)CCNCc1ccc(COC)o1 ZINC000631205858 372235782 /nfs/dbraw/zinc/23/57/82/372235782.db2.gz GIQHAIGGMVBADW-UHFFFAOYSA-N 0 3 239.359 3.342 20 0 BGADHN CCC(C)(C)CCNCc1ccc(C)cn1 ZINC000631205862 372235903 /nfs/dbraw/zinc/23/59/03/372235903.db2.gz GKRCLPJXRQJQPR-UHFFFAOYSA-N 0 3 220.360 3.306 20 0 BGADHN CC[C@@H]1C[C@@H](NCc2csc(C)c2C)CO1 ZINC000631206332 372235027 /nfs/dbraw/zinc/23/50/27/372235027.db2.gz KZACEICSFOSCCW-CHWSQXEVSA-N 0 3 239.384 3.022 20 0 BGADHN CC[C@H]1C[C@@H](NCc2csc(C)c2C)CO1 ZINC000631206334 372235486 /nfs/dbraw/zinc/23/54/86/372235486.db2.gz KZACEICSFOSCCW-OLZOCXBDSA-N 0 3 239.384 3.022 20 0 BGADHN CC[C@@H]1C[C@H](NCc2csc(C)c2C)CO1 ZINC000631206336 372235571 /nfs/dbraw/zinc/23/55/71/372235571.db2.gz KZACEICSFOSCCW-QWHCGFSZSA-N 0 3 239.384 3.022 20 0 BGADHN CC[C@H]1C[C@H](NCc2csc(C)c2C)CO1 ZINC000631206337 372235726 /nfs/dbraw/zinc/23/57/26/372235726.db2.gz KZACEICSFOSCCW-STQMWFEESA-N 0 3 239.384 3.022 20 0 BGADHN CCC(C)(C)CCNCc1cscn1 ZINC000631206785 372235400 /nfs/dbraw/zinc/23/54/00/372235400.db2.gz NBSDTRUVEUPLRR-UHFFFAOYSA-N 0 3 212.362 3.059 20 0 BGADHN Cc1scc(CN[C@@H](C)COC(C)C)c1C ZINC000631206786 372234750 /nfs/dbraw/zinc/23/47/50/372234750.db2.gz NDNBVFIEJRBCQZ-JTQLQIEISA-N 0 3 241.400 3.268 20 0 BGADHN Cc1scc(CN[C@H](C)COC(C)C)c1C ZINC000631206787 372235561 /nfs/dbraw/zinc/23/55/61/372235561.db2.gz NDNBVFIEJRBCQZ-SNVBAGLBSA-N 0 3 241.400 3.268 20 0 BGADHN CCC(C)(C)CCNCc1nccs1 ZINC000631207317 372236463 /nfs/dbraw/zinc/23/64/63/372236463.db2.gz SBNBHCJSNMGCER-UHFFFAOYSA-N 0 3 212.362 3.059 20 0 BGADHN CCC(C)(C)CCNCc1csc(C)n1 ZINC000631207721 360999481 /nfs/dbraw/zinc/99/94/81/360999481.db2.gz VRXDGUZKEPDARO-UHFFFAOYSA-N 0 3 226.389 3.367 20 0 BGADHN CCC(C)(C)CCNCc1c(C)noc1C ZINC000631207940 361022639 /nfs/dbraw/zinc/02/26/39/361022639.db2.gz YDLJKQVIJINRCS-UHFFFAOYSA-N 0 3 224.348 3.207 20 0 BGADHN Cc1nocc1CNC[C@@H]1C(C)=CCC[C@H]1C ZINC000631208909 361069241 /nfs/dbraw/zinc/06/92/41/361069241.db2.gz NVOPQHVQKVTVMR-BXUZGUMPSA-N 0 3 234.343 3.065 20 0 BGADHN Cc1nocc1CNC[C@H]1C(C)=CCC[C@@H]1C ZINC000631208911 361068690 /nfs/dbraw/zinc/06/86/90/361068690.db2.gz NVOPQHVQKVTVMR-FZMZJTMJSA-N 0 3 234.343 3.065 20 0 BGADHN Cc1nocc1CNC[C@H]1C(C)=CCC[C@H]1C ZINC000631208914 361069165 /nfs/dbraw/zinc/06/91/65/361069165.db2.gz NVOPQHVQKVTVMR-RISCZKNCSA-N 0 3 234.343 3.065 20 0 BGADHN Cc1nocc1CNC[C@@H]1C(C)=CCC[C@@H]1C ZINC000631208917 361069008 /nfs/dbraw/zinc/06/90/08/361069008.db2.gz NVOPQHVQKVTVMR-SMDDNHRTSA-N 0 3 234.343 3.065 20 0 BGADHN CCC(C)(C)CCNCc1ccncc1F ZINC000631218932 372241955 /nfs/dbraw/zinc/24/19/55/372241955.db2.gz JTXVVWAQUPLGID-UHFFFAOYSA-N 0 3 224.323 3.137 20 0 BGADHN CCC(C)(C)CCNCc1cnc(C2CC2)nc1 ZINC000631219037 361340648 /nfs/dbraw/zinc/34/06/48/361340648.db2.gz MFZWBYRZABQMAA-UHFFFAOYSA-N 0 3 247.386 3.270 20 0 BGADHN CCC(C)(C)CCNCc1ncc(C)s1 ZINC000631220005 372243818 /nfs/dbraw/zinc/24/38/18/372243818.db2.gz OHPCCIYHSKQWIZ-UHFFFAOYSA-N 0 3 226.389 3.367 20 0 BGADHN CCC(C)(C)CCNCc1nccn1C(C)C ZINC000631221300 361369687 /nfs/dbraw/zinc/36/96/87/361369687.db2.gz QQRPLQNZVRKOCE-UHFFFAOYSA-N 0 3 237.391 3.380 20 0 BGADHN CCC(C)(C)CCNCc1cc2n(n1)CCCC2 ZINC000631222330 372245176 /nfs/dbraw/zinc/24/51/76/372245176.db2.gz VVZWELQKZDIDBO-UHFFFAOYSA-N 0 3 249.402 3.135 20 0 BGADHN C[C@@H]1C[C@H](NCc2cscc2Cl)[C@H](C)O1 ZINC000631222649 361396878 /nfs/dbraw/zinc/39/68/78/361396878.db2.gz OARXLIPRYSJVLF-FYBVGQRMSA-N 0 3 245.775 3.057 20 0 BGADHN C[C@@H]1C[C@@H](NCc2cscc2Cl)[C@@H](C)O1 ZINC000631222650 361396683 /nfs/dbraw/zinc/39/66/83/361396683.db2.gz OARXLIPRYSJVLF-SOCHQFKDSA-N 0 3 245.775 3.057 20 0 BGADHN C[C@@H]1C[C@@H](NCc2cscc2Cl)[C@H](C)O1 ZINC000631222651 361396850 /nfs/dbraw/zinc/39/68/50/361396850.db2.gz OARXLIPRYSJVLF-VHSKPIJISA-N 0 3 245.775 3.057 20 0 BGADHN C[C@@H]1C[C@H](NCc2cscc2Cl)[C@@H](C)O1 ZINC000631222652 361396717 /nfs/dbraw/zinc/39/67/17/361396717.db2.gz OARXLIPRYSJVLF-XLDPMVHQSA-N 0 3 245.775 3.057 20 0 BGADHN c1nc(C2CC2)sc1CN[C@]12C[C@H]1CCCC2 ZINC000631224633 372246831 /nfs/dbraw/zinc/24/68/31/372246831.db2.gz BUKSMPJKMHPNKO-BXUZGUMPSA-N 0 3 248.395 3.443 20 0 BGADHN c1nc(C2CC2)sc1CN[C@@]12C[C@@H]1CCCC2 ZINC000631224634 372246862 /nfs/dbraw/zinc/24/68/62/372246862.db2.gz BUKSMPJKMHPNKO-FZMZJTMJSA-N 0 3 248.395 3.443 20 0 BGADHN COc1ccc(F)c(CN[C@]23C[C@H]2CCCC3)c1 ZINC000631224855 372248131 /nfs/dbraw/zinc/24/81/31/372248131.db2.gz FCXRZROZWPTFRD-IUODEOHRSA-N 0 3 249.329 3.257 20 0 BGADHN COc1ccc(F)c(CN[C@@]23C[C@@H]2CCCC3)c1 ZINC000631224857 372248053 /nfs/dbraw/zinc/24/80/53/372248053.db2.gz FCXRZROZWPTFRD-WFASDCNBSA-N 0 3 249.329 3.257 20 0 BGADHN COc1ccc(CN[C@]23C[C@H]2CCCC3)c(F)c1 ZINC000631225037 361568968 /nfs/dbraw/zinc/56/89/68/361568968.db2.gz GSGRSKFZJGTJNL-IUODEOHRSA-N 0 3 249.329 3.257 20 0 BGADHN COc1ccc(CN[C@@]23C[C@@H]2CCCC3)c(F)c1 ZINC000631225039 361569202 /nfs/dbraw/zinc/56/92/02/361569202.db2.gz GSGRSKFZJGTJNL-WFASDCNBSA-N 0 3 249.329 3.257 20 0 BGADHN Cc1occc1CN[C@]12C[C@H]1CCCC2 ZINC000631225084 372247446 /nfs/dbraw/zinc/24/74/46/372247446.db2.gz HNPLUMFLJNEEIZ-CHWSQXEVSA-N 0 3 205.301 3.010 20 0 BGADHN Cc1occc1CN[C@@]12C[C@@H]1CCCC2 ZINC000631225088 372247874 /nfs/dbraw/zinc/24/78/74/372247874.db2.gz HNPLUMFLJNEEIZ-STQMWFEESA-N 0 3 205.301 3.010 20 0 BGADHN COc1ccc(F)cc1CN[C@]12C[C@H]1CCCC2 ZINC000631225435 361578922 /nfs/dbraw/zinc/57/89/22/361578922.db2.gz IMSUGDZFXFBYCO-IUODEOHRSA-N 0 3 249.329 3.257 20 0 BGADHN COc1ccc(F)cc1CN[C@@]12C[C@@H]1CCCC2 ZINC000631225444 361578694 /nfs/dbraw/zinc/57/86/94/361578694.db2.gz IMSUGDZFXFBYCO-WFASDCNBSA-N 0 3 249.329 3.257 20 0 BGADHN Clc1ccc(CN[C@]23C[C@H]2CCCC3)o1 ZINC000631225798 361584052 /nfs/dbraw/zinc/58/40/52/361584052.db2.gz KQGBGYXSFNDJHX-BXKDBHETSA-N 0 3 225.719 3.355 20 0 BGADHN Clc1ccc(CN[C@@]23C[C@@H]2CCCC3)o1 ZINC000631225803 361584216 /nfs/dbraw/zinc/58/42/16/361584216.db2.gz KQGBGYXSFNDJHX-CABZTGNLSA-N 0 3 225.719 3.355 20 0 BGADHN Cc1ccoc1CN[C@@]12C[C@@H]1CCCC2 ZINC000631225993 361590636 /nfs/dbraw/zinc/59/06/36/361590636.db2.gz LFPOQJPRZPLUMS-AAEUAGOBSA-N 0 3 205.301 3.010 20 0 BGADHN Cc1ccoc1CN[C@]12C[C@H]1CCCC2 ZINC000631225995 361590616 /nfs/dbraw/zinc/59/06/16/361590616.db2.gz LFPOQJPRZPLUMS-DGCLKSJQSA-N 0 3 205.301 3.010 20 0 BGADHN CC(C)(C)n1cc(CN[C@]23C[C@H]2CCCC3)cn1 ZINC000631226089 361590181 /nfs/dbraw/zinc/59/01/81/361590181.db2.gz LNGLFLSWGFYAOO-UKRRQHHQSA-N 0 3 247.386 3.060 20 0 BGADHN CC(C)(C)n1cc(CN[C@@]23C[C@@H]2CCCC3)cn1 ZINC000631226091 361591060 /nfs/dbraw/zinc/59/10/60/361591060.db2.gz LNGLFLSWGFYAOO-ZFWWWQNUSA-N 0 3 247.386 3.060 20 0 BGADHN Cc1nn(C(C)C)cc1CN[C@@]12C[C@@H]1CCCC2 ZINC000631226348 361636984 /nfs/dbraw/zinc/63/69/84/361636984.db2.gz MSGGVHGGUMCHKQ-GJZGRUSLSA-N 0 3 247.386 3.195 20 0 BGADHN Cc1nn(C(C)C)cc1CN[C@]12C[C@H]1CCCC2 ZINC000631226350 361636388 /nfs/dbraw/zinc/63/63/88/361636388.db2.gz MSGGVHGGUMCHKQ-HUUCEWRRSA-N 0 3 247.386 3.195 20 0 BGADHN COc1ccccc1CN[C@]12C[C@H]1CCCC2 ZINC000631227073 361660634 /nfs/dbraw/zinc/66/06/34/361660634.db2.gz OTJQIRIYLDCGHZ-UKRRQHHQSA-N 0 3 231.339 3.118 20 0 BGADHN COc1ccccc1CN[C@@]12C[C@@H]1CCCC2 ZINC000631227074 361660111 /nfs/dbraw/zinc/66/01/11/361660111.db2.gz OTJQIRIYLDCGHZ-ZFWWWQNUSA-N 0 3 231.339 3.118 20 0 BGADHN Cc1ccc(CN[C@@]23C[C@@H]2CCCC3)o1 ZINC000631227171 361660653 /nfs/dbraw/zinc/66/06/53/361660653.db2.gz PZKCJAJSIYYIKL-AAEUAGOBSA-N 0 3 205.301 3.010 20 0 BGADHN Cc1ccc(CN[C@]23C[C@H]2CCCC3)o1 ZINC000631227173 361660605 /nfs/dbraw/zinc/66/06/05/361660605.db2.gz PZKCJAJSIYYIKL-DGCLKSJQSA-N 0 3 205.301 3.010 20 0 BGADHN Fc1ccccc1CN[C@@]12C[C@@H]1CCCC2 ZINC000631227595 372248927 /nfs/dbraw/zinc/24/89/27/372248927.db2.gz ROKJIRSRBLUMJM-JSGCOSHPSA-N 0 3 219.303 3.248 20 0 BGADHN Fc1ccccc1CN[C@]12C[C@H]1CCCC2 ZINC000631227597 372248993 /nfs/dbraw/zinc/24/89/93/372248993.db2.gz ROKJIRSRBLUMJM-TZMCWYRMSA-N 0 3 219.303 3.248 20 0 BGADHN C(N[C@@]12C[C@@H]1CCCC2)c1nc2c(s1)CCC2 ZINC000631227602 361666153 /nfs/dbraw/zinc/66/61/53/361666153.db2.gz RQINDZBDXUHGDO-HZMBPMFUSA-N 0 3 248.395 3.054 20 0 BGADHN C(N[C@]12C[C@H]1CCCC2)c1nc2c(s1)CCC2 ZINC000631227604 361665733 /nfs/dbraw/zinc/66/57/33/361665733.db2.gz RQINDZBDXUHGDO-QMTHXVAHSA-N 0 3 248.395 3.054 20 0 BGADHN c1c2cccnc2oc1CN[C@]12C[C@H]1CCCC2 ZINC000631227607 361665473 /nfs/dbraw/zinc/66/54/73/361665473.db2.gz RSDQGFUQGNQQMI-IUODEOHRSA-N 0 3 242.322 3.250 20 0 BGADHN c1c2cccnc2oc1CN[C@@]12C[C@@H]1CCCC2 ZINC000631227609 361665869 /nfs/dbraw/zinc/66/58/69/361665869.db2.gz RSDQGFUQGNQQMI-WFASDCNBSA-N 0 3 242.322 3.250 20 0 BGADHN c1c2cnccc2oc1CN[C@]12C[C@H]1CCCC2 ZINC000631227661 372248838 /nfs/dbraw/zinc/24/88/38/372248838.db2.gz SGVXJYKCJMGHQA-IUODEOHRSA-N 0 3 242.322 3.250 20 0 BGADHN c1c2cnccc2oc1CN[C@@]12C[C@@H]1CCCC2 ZINC000631227665 372248756 /nfs/dbraw/zinc/24/87/56/372248756.db2.gz SGVXJYKCJMGHQA-WFASDCNBSA-N 0 3 242.322 3.250 20 0 BGADHN CCc1cnc(CN[C@@]23C[C@@H]2CCCC3)s1 ZINC000631227683 372248945 /nfs/dbraw/zinc/24/89/45/372248945.db2.gz SJVIGBDYCPTJAL-GWCFXTLKSA-N 0 3 236.384 3.128 20 0 BGADHN CCc1cnc(CN[C@]23C[C@H]2CCCC3)s1 ZINC000631227688 372248867 /nfs/dbraw/zinc/24/88/67/372248867.db2.gz SJVIGBDYCPTJAL-ZWNOBZJWSA-N 0 3 236.384 3.128 20 0 BGADHN CCc1ncc(CN[C@@]23C[C@@H]2CCCC3)s1 ZINC000631227974 361666611 /nfs/dbraw/zinc/66/66/11/361666611.db2.gz VQUGTDZOVHWEIW-GWCFXTLKSA-N 0 3 236.384 3.128 20 0 BGADHN CCc1ncc(CN[C@]23C[C@H]2CCCC3)s1 ZINC000631227977 361666561 /nfs/dbraw/zinc/66/65/61/361666561.db2.gz VQUGTDZOVHWEIW-ZWNOBZJWSA-N 0 3 236.384 3.128 20 0 BGADHN c1nc(C2CC2)c(CN[C@]23C[C@H]2CCCC3)s1 ZINC000631228244 361668121 /nfs/dbraw/zinc/66/81/21/361668121.db2.gz WQXPVHNSRCLIGV-BXUZGUMPSA-N 0 3 248.395 3.443 20 0 BGADHN c1nc(C2CC2)c(CN[C@@]23C[C@@H]2CCCC3)s1 ZINC000631228245 361667966 /nfs/dbraw/zinc/66/79/66/361667966.db2.gz WQXPVHNSRCLIGV-FZMZJTMJSA-N 0 3 248.395 3.443 20 0 BGADHN CCc1ccc(CN[C@]23C[C@H]2CCCC3)o1 ZINC000631228293 372250244 /nfs/dbraw/zinc/25/02/44/372250244.db2.gz XKGOWEHTJCOHPO-BXUZGUMPSA-N 0 3 219.328 3.264 20 0 BGADHN CCc1ccc(CN[C@@]23C[C@@H]2CCCC3)o1 ZINC000631228294 372250711 /nfs/dbraw/zinc/25/07/11/372250711.db2.gz XKGOWEHTJCOHPO-FZMZJTMJSA-N 0 3 219.328 3.264 20 0 BGADHN COc1ccsc1CN[C@@]12C[C@@H]1CCCC2 ZINC000631228534 361680356 /nfs/dbraw/zinc/68/03/56/361680356.db2.gz ZILWTUBQRUGCPG-GWCFXTLKSA-N 0 3 237.368 3.179 20 0 BGADHN COc1ccsc1CN[C@]12C[C@H]1CCCC2 ZINC000631228538 361680882 /nfs/dbraw/zinc/68/08/82/361680882.db2.gz ZILWTUBQRUGCPG-ZWNOBZJWSA-N 0 3 237.368 3.179 20 0 BGADHN COc1cccc(CN[C@]23C[C@H]2CCCC3)c1F ZINC000631228548 361680262 /nfs/dbraw/zinc/68/02/62/361680262.db2.gz ZKHZGYGEEMXNNY-IUODEOHRSA-N 0 3 249.329 3.257 20 0 BGADHN COc1cccc(CN[C@@]23C[C@@H]2CCCC3)c1F ZINC000631228551 361680381 /nfs/dbraw/zinc/68/03/81/361680381.db2.gz ZKHZGYGEEMXNNY-WFASDCNBSA-N 0 3 249.329 3.257 20 0 BGADHN Cc1ccc(CN[C@@H](C)[C@@H]2C[C@H]2C2CC2)o1 ZINC000631242502 372256374 /nfs/dbraw/zinc/25/63/74/372256374.db2.gz JIKHSNYLMCTQCH-BPNCWPANSA-N 0 3 219.328 3.112 20 0 BGADHN Cc1ccc(CN[C@H](C)[C@@H]2C[C@H]2C2CC2)o1 ZINC000631242503 372256665 /nfs/dbraw/zinc/25/66/65/372256665.db2.gz JIKHSNYLMCTQCH-SWHYSGLUSA-N 0 3 219.328 3.112 20 0 BGADHN c1coc(CNCC2([C@@H]3CCCCO3)CCC2)c1 ZINC000631245349 372257454 /nfs/dbraw/zinc/25/74/54/372257454.db2.gz LFRGJGMMIHFPHP-AWEZNQCLSA-N 0 3 249.354 3.109 20 0 BGADHN c1coc(CNCC2([C@H]3CCCCO3)CCC2)c1 ZINC000631245350 372256564 /nfs/dbraw/zinc/25/65/64/372256564.db2.gz LFRGJGMMIHFPHP-CQSZACIVSA-N 0 3 249.354 3.109 20 0 BGADHN CC[C@@H]1C[C@H](N[C@H](C)c2ccccc2C)CO1 ZINC000631248137 372258939 /nfs/dbraw/zinc/25/89/39/372258939.db2.gz HFAZXVXKZCWKQP-HZSPNIEDSA-N 0 3 233.355 3.213 20 0 BGADHN CC[C@H]1C[C@@H](N[C@H](C)c2ccccc2C)CO1 ZINC000631248138 372259140 /nfs/dbraw/zinc/25/91/40/372259140.db2.gz HFAZXVXKZCWKQP-MCIONIFRSA-N 0 3 233.355 3.213 20 0 BGADHN CC[C@@H]1C[C@@H](N[C@H](C)c2ccccc2C)CO1 ZINC000631248139 372259183 /nfs/dbraw/zinc/25/91/83/372259183.db2.gz HFAZXVXKZCWKQP-MGPQQGTHSA-N 0 3 233.355 3.213 20 0 BGADHN CC[C@H]1C[C@H](N[C@H](C)c2ccccc2C)CO1 ZINC000631248141 372258714 /nfs/dbraw/zinc/25/87/14/372258714.db2.gz HFAZXVXKZCWKQP-RDBSUJKOSA-N 0 3 233.355 3.213 20 0 BGADHN CC(C)n1ccnc1CN[C@H](C)CC1CCC1 ZINC000631249717 351381214 /nfs/dbraw/zinc/38/12/14/351381214.db2.gz CSTJIRZBGYUHQR-GFCCVEGCSA-N 0 3 235.375 3.132 20 0 BGADHN CC(C)n1ccnc1CN[C@@H](C)CC1CCC1 ZINC000631249726 351380871 /nfs/dbraw/zinc/38/08/71/351380871.db2.gz CSTJIRZBGYUHQR-LBPRGKRZSA-N 0 3 235.375 3.132 20 0 BGADHN C[C@@H](CC1CCC1)NCc1ccncc1Cl ZINC000631250514 372258634 /nfs/dbraw/zinc/25/86/34/372258634.db2.gz LJGIGPWAFHBDFE-JTQLQIEISA-N 0 3 238.762 3.403 20 0 BGADHN C[C@H](CC1CCC1)NCc1ccncc1Cl ZINC000631250515 372259093 /nfs/dbraw/zinc/25/90/93/372259093.db2.gz LJGIGPWAFHBDFE-SNVBAGLBSA-N 0 3 238.762 3.403 20 0 BGADHN C[C@H](CC1CCC1)NCc1ncc(Cl)s1 ZINC000631252149 372262423 /nfs/dbraw/zinc/26/24/23/372262423.db2.gz OFFUJKQXSQSGHK-MRVPVSSYSA-N 0 3 244.791 3.465 20 0 BGADHN C[C@@H](CC1CCC1)NCc1ncc(Cl)s1 ZINC000631252150 372263137 /nfs/dbraw/zinc/26/31/37/372263137.db2.gz OFFUJKQXSQSGHK-QMMMGPOBSA-N 0 3 244.791 3.465 20 0 BGADHN COc1cc(C)nc(CN[C@H](C)CC2CCC2)c1 ZINC000631252405 372262125 /nfs/dbraw/zinc/26/21/25/372262125.db2.gz VTEWRHVILHMHEY-LLVKDONJSA-N 0 3 248.370 3.067 20 0 BGADHN COc1cc(C)nc(CN[C@@H](C)CC2CCC2)c1 ZINC000631252406 372262040 /nfs/dbraw/zinc/26/20/40/372262040.db2.gz VTEWRHVILHMHEY-NSHDSACASA-N 0 3 248.370 3.067 20 0 BGADHN COCc1ccc(CN[C@H](C)CC2CCC2)o1 ZINC000631252441 355820865 /nfs/dbraw/zinc/82/08/65/355820865.db2.gz WXJNACOMOQYDHR-LLVKDONJSA-N 0 3 237.343 3.094 20 0 BGADHN COCc1ccc(CN[C@@H](C)CC2CCC2)o1 ZINC000631252442 355820239 /nfs/dbraw/zinc/82/02/39/355820239.db2.gz WXJNACOMOQYDHR-NSHDSACASA-N 0 3 237.343 3.094 20 0 BGADHN Cc1occc1CN[C@@H](C1CCC1)[C@H]1CCCO1 ZINC000631253790 356440288 /nfs/dbraw/zinc/44/02/88/356440288.db2.gz INYFZWOAMUYAEO-CABCVRRESA-N 0 3 249.354 3.025 20 0 BGADHN Cc1occc1CN[C@@H](C1CCC1)[C@@H]1CCCO1 ZINC000631253792 356441696 /nfs/dbraw/zinc/44/16/96/356441696.db2.gz INYFZWOAMUYAEO-GJZGRUSLSA-N 0 3 249.354 3.025 20 0 BGADHN Cc1occc1CN[C@H](C1CCC1)[C@H]1CCCO1 ZINC000631253793 356441392 /nfs/dbraw/zinc/44/13/92/356441392.db2.gz INYFZWOAMUYAEO-HUUCEWRRSA-N 0 3 249.354 3.025 20 0 BGADHN Cc1occc1CN[C@H](C1CCC1)[C@@H]1CCCO1 ZINC000631253795 356441350 /nfs/dbraw/zinc/44/13/50/356441350.db2.gz INYFZWOAMUYAEO-LSDHHAIUSA-N 0 3 249.354 3.025 20 0 BGADHN Cc1ccc(CN[C@@H](C2CCC2)[C@H]2CCCO2)o1 ZINC000631254738 356708070 /nfs/dbraw/zinc/70/80/70/356708070.db2.gz QDIRGPOCBLYXLJ-CABCVRRESA-N 0 3 249.354 3.025 20 0 BGADHN Cc1ccc(CN[C@@H](C2CCC2)[C@@H]2CCCO2)o1 ZINC000631254739 356708619 /nfs/dbraw/zinc/70/86/19/356708619.db2.gz QDIRGPOCBLYXLJ-GJZGRUSLSA-N 0 3 249.354 3.025 20 0 BGADHN Cc1ccc(CN[C@H](C2CCC2)[C@H]2CCCO2)o1 ZINC000631254740 356708635 /nfs/dbraw/zinc/70/86/35/356708635.db2.gz QDIRGPOCBLYXLJ-HUUCEWRRSA-N 0 3 249.354 3.025 20 0 BGADHN Cc1ccc(CN[C@H](C2CCC2)[C@@H]2CCCO2)o1 ZINC000631254741 356708622 /nfs/dbraw/zinc/70/86/22/356708622.db2.gz QDIRGPOCBLYXLJ-LSDHHAIUSA-N 0 3 249.354 3.025 20 0 BGADHN Cc1ccoc1CN[C@H](C1CCC1)[C@@H]1CCCO1 ZINC000631256072 357123042 /nfs/dbraw/zinc/12/30/42/357123042.db2.gz SOJYPQSEKZNOSR-DZGCQCFKSA-N 0 3 249.354 3.025 20 0 BGADHN Cc1ccoc1CN[C@@H](C1CCC1)[C@H]1CCCO1 ZINC000631256078 357122723 /nfs/dbraw/zinc/12/27/23/357122723.db2.gz SOJYPQSEKZNOSR-HIFRSBDPSA-N 0 3 249.354 3.025 20 0 BGADHN Cc1ccoc1CN[C@H](C1CCC1)[C@H]1CCCO1 ZINC000631256082 357122430 /nfs/dbraw/zinc/12/24/30/357122430.db2.gz SOJYPQSEKZNOSR-UKRRQHHQSA-N 0 3 249.354 3.025 20 0 BGADHN Cc1ccoc1CN[C@@H](C1CCC1)[C@@H]1CCCO1 ZINC000631256085 357122462 /nfs/dbraw/zinc/12/24/62/357122462.db2.gz SOJYPQSEKZNOSR-ZFWWWQNUSA-N 0 3 249.354 3.025 20 0 BGADHN Cc1cc(CN[C@@H]2C[C@H]2C(F)(F)F)c(C)s1 ZINC000631259699 357236751 /nfs/dbraw/zinc/23/67/51/357236751.db2.gz BATYKLFUYOGDFU-NXEZZACHSA-N 0 3 249.301 3.405 20 0 BGADHN Cc1cc(CN[C@@H]2C[C@H]2C(F)(F)F)ccc1F ZINC000631260265 372265985 /nfs/dbraw/zinc/26/59/85/372265985.db2.gz KEDCDDXBJJZXPR-MWLCHTKSSA-N 0 3 247.235 3.175 20 0 BGADHN Cc1ccc(F)cc1CN[C@@H]1C[C@H]1C(F)(F)F ZINC000631260332 372265616 /nfs/dbraw/zinc/26/56/16/372265616.db2.gz MRGAZNNLXYKRNE-GHMZBOCLSA-N 0 3 247.235 3.175 20 0 BGADHN Cc1scc(CN[C@@H]2C[C@H]2C(F)(F)F)c1C ZINC000631260598 372265748 /nfs/dbraw/zinc/26/57/48/372265748.db2.gz ALKNMNNJFUOFJB-NXEZZACHSA-N 0 3 249.301 3.405 20 0 BGADHN Cc1cc(CN[C@@H]2C[C@H]2C(F)(F)F)cs1 ZINC000631260710 372265731 /nfs/dbraw/zinc/26/57/31/372265731.db2.gz BHRXQQOQZTXDAP-RKDXNWHRSA-N 0 3 235.274 3.097 20 0 BGADHN CCc1ccc(CN[C@@H]2C[C@H]2C(F)(F)F)s1 ZINC000631260899 357243873 /nfs/dbraw/zinc/24/38/73/357243873.db2.gz RNRBGIMOHRPINP-NXEZZACHSA-N 0 3 249.301 3.351 20 0 BGADHN Cc1sccc1CN[C@@H]1C[C@H]1C(F)(F)F ZINC000631261718 357251946 /nfs/dbraw/zinc/25/19/46/357251946.db2.gz LGJPWJQBHMPKDK-RKDXNWHRSA-N 0 3 235.274 3.097 20 0 BGADHN FC(F)(F)[C@@H]1C[C@H]1NC/C=C/c1ccccc1 ZINC000631262560 357383396 /nfs/dbraw/zinc/38/33/96/357383396.db2.gz HDXXWGUZGMAPLZ-KSOFABFVSA-N 0 3 241.256 3.240 20 0 BGADHN FC(F)(F)[C@@H]1C[C@H]1NC/C=C\c1ccccc1 ZINC000631262561 357383466 /nfs/dbraw/zinc/38/34/66/357383466.db2.gz HDXXWGUZGMAPLZ-MGNMTHHWSA-N 0 3 241.256 3.240 20 0 BGADHN Cc1cccc(CN[C@@H]2C[C@H]2C(F)(F)F)c1 ZINC000631263359 357516403 /nfs/dbraw/zinc/51/64/03/357516403.db2.gz NZINUFRBEDMFIB-GHMZBOCLSA-N 0 3 229.245 3.035 20 0 BGADHN Cc1cc(F)ccc1CN[C@@H]1C[C@H]1C(F)(F)F ZINC000631263484 372269576 /nfs/dbraw/zinc/26/95/76/372269576.db2.gz QUSGLQNOGXJHIG-GHMZBOCLSA-N 0 3 247.235 3.175 20 0 BGADHN Cc1ccc(CN[C@@H]2C[C@H]2C(F)(F)F)s1 ZINC000631263554 372269239 /nfs/dbraw/zinc/26/92/39/372269239.db2.gz RKXSFNQGOWKLOK-RKDXNWHRSA-N 0 3 235.274 3.097 20 0 BGADHN Cc1ccccc1CN[C@@H]1C[C@H]1C(F)(F)F ZINC000631263874 357976304 /nfs/dbraw/zinc/97/63/04/357976304.db2.gz VHZWUSGBJMWYDQ-GHMZBOCLSA-N 0 3 229.245 3.035 20 0 BGADHN Cc1ccsc1CN[C@@H]1C[C@H]1C(F)(F)F ZINC000631263985 357991323 /nfs/dbraw/zinc/99/13/23/357991323.db2.gz WYCSWLXNFPQEDO-HTQZYQBOSA-N 0 3 235.274 3.097 20 0 BGADHN FC(F)(F)[C@@H]1C[C@H]1NCc1ccc(Cl)cc1 ZINC000631264117 372268641 /nfs/dbraw/zinc/26/86/41/372268641.db2.gz ZACYWHLTWYTIHI-NXEZZACHSA-N 0 3 249.663 3.380 20 0 BGADHN Cc1ccc(CN[C@@H]2C[C@H]2C(F)(F)F)cc1 ZINC000631264159 372268488 /nfs/dbraw/zinc/26/84/88/372268488.db2.gz ZVJCCEJSPOKDBP-GHMZBOCLSA-N 0 3 229.245 3.035 20 0 BGADHN CC(C)CN[C@H](CF)c1ccc(F)cc1 ZINC000631280787 372275039 /nfs/dbraw/zinc/27/50/39/372275039.db2.gz VUYALYAOJNRLRF-GFCCVEGCSA-N 0 3 213.271 3.082 20 0 BGADHN CC(C)CN[C@@H](CF)c1ccc(F)cc1 ZINC000631280788 372275661 /nfs/dbraw/zinc/27/56/61/372275661.db2.gz VUYALYAOJNRLRF-LBPRGKRZSA-N 0 3 213.271 3.082 20 0 BGADHN C[C@@H](N[C@H](CF)c1ccc(F)cc1)C1CC1 ZINC000631282593 350206382 /nfs/dbraw/zinc/20/63/82/350206382.db2.gz CKFNHAAPWQQROF-NOZJJQNGSA-N 0 3 225.282 3.224 20 0 BGADHN C[C@@H](N[C@@H](CF)c1ccc(F)cc1)C1CC1 ZINC000631282596 350206128 /nfs/dbraw/zinc/20/61/28/350206128.db2.gz CKFNHAAPWQQROF-RNCFNFMXSA-N 0 3 225.282 3.224 20 0 BGADHN C[C@H](N[C@H](CF)c1ccc(F)cc1)C1CC1 ZINC000631282597 350206503 /nfs/dbraw/zinc/20/65/03/350206503.db2.gz CKFNHAAPWQQROF-TVQRCGJNSA-N 0 3 225.282 3.224 20 0 BGADHN C[C@H](N[C@@H](CF)c1ccc(F)cc1)C1CC1 ZINC000631282598 350206393 /nfs/dbraw/zinc/20/63/93/350206393.db2.gz CKFNHAAPWQQROF-ZANVPECISA-N 0 3 225.282 3.224 20 0 BGADHN C[C@@H](N[C@@H](CF)c1ccc(F)cc1)[C@H]1C[C@H]1C ZINC000631283791 350610156 /nfs/dbraw/zinc/61/01/56/350610156.db2.gz MVEMJEJHBANSBW-JYILRKAJSA-N 0 3 239.309 3.470 20 0 BGADHN C[C@H](N[C@@H](CF)c1ccc(F)cc1)[C@H]1C[C@H]1C ZINC000631283794 350609713 /nfs/dbraw/zinc/60/97/13/350609713.db2.gz MVEMJEJHBANSBW-OAACRXHESA-N 0 3 239.309 3.470 20 0 BGADHN C[C@H](N[C@H](CF)c1ccc(F)cc1)[C@H]1C[C@H]1C ZINC000631283795 350610099 /nfs/dbraw/zinc/61/00/99/350610099.db2.gz MVEMJEJHBANSBW-XXSPCDMZSA-N 0 3 239.309 3.470 20 0 BGADHN C[C@@H](N[C@H](CF)c1ccc(F)cc1)[C@H]1C[C@H]1C ZINC000631283796 350610330 /nfs/dbraw/zinc/61/03/30/350610330.db2.gz MVEMJEJHBANSBW-XYHOJCAOSA-N 0 3 239.309 3.470 20 0 BGADHN CCc1cc(N2CCC(CCF)CC2)ccn1 ZINC000631449587 372370108 /nfs/dbraw/zinc/37/01/08/372370108.db2.gz YASBSXGNJIQBGY-UHFFFAOYSA-N 0 3 236.334 3.220 20 0 BGADHN CCc1cc(N[C@H](C)c2cnc(C)s2)ccn1 ZINC000631472406 372382995 /nfs/dbraw/zinc/38/29/95/372382995.db2.gz QCWOWBMCSICROA-SECBINFHSA-N 0 3 247.367 3.004 20 0 BGADHN CCc1cc(N[C@@H](C)c2cnc(C)s2)ccn1 ZINC000631472407 372382852 /nfs/dbraw/zinc/38/28/52/372382852.db2.gz QCWOWBMCSICROA-VIFPVBQESA-N 0 3 247.367 3.004 20 0 BGADHN c1ccc(CN[C@H]2CCCc3ncccc32)cc1 ZINC000631561333 360985417 /nfs/dbraw/zinc/98/54/17/360985417.db2.gz MUHFDGKRMSWUSO-INIZCTEOSA-N 0 3 238.334 3.249 20 0 BGADHN c1ccc(CN[C@@H]2CCCc3ncccc32)cc1 ZINC000631561334 360985548 /nfs/dbraw/zinc/98/55/48/360985548.db2.gz MUHFDGKRMSWUSO-MRXNPFEDSA-N 0 3 238.334 3.249 20 0 BGADHN COCCN[C@H](C)c1ccc(C2CCC2)cc1 ZINC000631561658 360986837 /nfs/dbraw/zinc/98/68/37/360986837.db2.gz QEMSZCBKVKJISH-GFCCVEGCSA-N 0 3 233.355 3.251 20 0 BGADHN COCCN[C@@H](C)c1ccc(C2CCC2)cc1 ZINC000631561659 360986195 /nfs/dbraw/zinc/98/61/95/360986195.db2.gz QEMSZCBKVKJISH-LBPRGKRZSA-N 0 3 233.355 3.251 20 0 BGADHN c1csc(CN[C@H]2CCCc3ncccc32)c1 ZINC000631562986 372426666 /nfs/dbraw/zinc/42/66/66/372426666.db2.gz JUNUSNJRJHCTJB-AWEZNQCLSA-N 0 3 244.363 3.310 20 0 BGADHN c1csc(CN[C@@H]2CCCc3ncccc32)c1 ZINC000631562989 372426373 /nfs/dbraw/zinc/42/63/73/372426373.db2.gz JUNUSNJRJHCTJB-CQSZACIVSA-N 0 3 244.363 3.310 20 0 BGADHN c1cc(CN[C@H]2CCCc3ncccc32)cs1 ZINC000631571153 372430521 /nfs/dbraw/zinc/43/05/21/372430521.db2.gz ZMFFLIFMIKNVJN-AWEZNQCLSA-N 0 3 244.363 3.310 20 0 BGADHN c1cc(CN[C@@H]2CCCc3ncccc32)cs1 ZINC000631571154 372430960 /nfs/dbraw/zinc/43/09/60/372430960.db2.gz ZMFFLIFMIKNVJN-CQSZACIVSA-N 0 3 244.363 3.310 20 0 BGADHN FC(F)(F)CCN[C@@H]1CCCc2ncccc21 ZINC000631587260 361430738 /nfs/dbraw/zinc/43/07/38/361430738.db2.gz QMXVWLGTPDXGIP-LLVKDONJSA-N 0 3 244.260 3.001 20 0 BGADHN FC(F)(F)CCN[C@H]1CCCc2ncccc21 ZINC000631587264 361431898 /nfs/dbraw/zinc/43/18/98/361431898.db2.gz QMXVWLGTPDXGIP-NSHDSACASA-N 0 3 244.260 3.001 20 0 BGADHN COc1cccc2c1OCCC[C@H]2NC1CCC1 ZINC000631592619 361571239 /nfs/dbraw/zinc/57/12/39/361571239.db2.gz CFDRSUCSTQJGLL-CYBMUJFWSA-N 0 3 247.338 3.051 20 0 BGADHN COc1cccc2c1OCCC[C@@H]2NC1CCC1 ZINC000631592620 361571304 /nfs/dbraw/zinc/57/13/04/361571304.db2.gz CFDRSUCSTQJGLL-ZDUSSCGKSA-N 0 3 247.338 3.051 20 0 BGADHN CC[C@@H](NC1CCC1)c1cccc(OC)c1OC ZINC000631593086 372445707 /nfs/dbraw/zinc/44/57/07/372445707.db2.gz GJYFWXLVSSOBDH-CYBMUJFWSA-N 0 3 249.354 3.297 20 0 BGADHN CC[C@H](NC1CCC1)c1cccc(OC)c1OC ZINC000631593087 372445305 /nfs/dbraw/zinc/44/53/05/372445305.db2.gz GJYFWXLVSSOBDH-ZDUSSCGKSA-N 0 3 249.354 3.297 20 0 BGADHN CCC[C@@H](NC1CCC1)c1cc(C)ccn1 ZINC000631593088 372445273 /nfs/dbraw/zinc/44/52/73/372445273.db2.gz GLKSIHHBQAGOOR-CYBMUJFWSA-N 0 3 218.344 3.373 20 0 BGADHN CCC[C@H](NC1CCC1)c1cc(C)ccn1 ZINC000631593089 372445415 /nfs/dbraw/zinc/44/54/15/372445415.db2.gz GLKSIHHBQAGOOR-ZDUSSCGKSA-N 0 3 218.344 3.373 20 0 BGADHN C[C@H](N[C@@H]1CCOC1)c1ccc(C2CCC2)cc1 ZINC000631599603 372451400 /nfs/dbraw/zinc/45/14/00/372451400.db2.gz MPAOTDZQYUJPCI-BLLLJJGKSA-N 0 3 245.366 3.394 20 0 BGADHN C[C@H](N[C@H]1CCOC1)c1ccc(C2CCC2)cc1 ZINC000631599604 372450877 /nfs/dbraw/zinc/45/08/77/372450877.db2.gz MPAOTDZQYUJPCI-LRDDRELGSA-N 0 3 245.366 3.394 20 0 BGADHN C[C@@H](N[C@@H]1CCOC1)c1ccc(C2CCC2)cc1 ZINC000631599816 372451101 /nfs/dbraw/zinc/45/11/01/372451101.db2.gz MPAOTDZQYUJPCI-MLGOLLRUSA-N 0 3 245.366 3.394 20 0 BGADHN C[C@@H](N[C@H]1CCOC1)c1ccc(C2CCC2)cc1 ZINC000631599817 361706914 /nfs/dbraw/zinc/70/69/14/361706914.db2.gz MPAOTDZQYUJPCI-WBMJQRKESA-N 0 3 245.366 3.394 20 0 BGADHN CCC[C@@H](NCCCF)c1cc(C)ccn1 ZINC000631601693 372452451 /nfs/dbraw/zinc/45/24/51/372452451.db2.gz JTWXCKJLIVMEKN-GFCCVEGCSA-N 0 3 224.323 3.180 20 0 BGADHN CCC[C@H](NCCCF)c1cc(C)ccn1 ZINC000631601726 372452550 /nfs/dbraw/zinc/45/25/50/372452550.db2.gz JTWXCKJLIVMEKN-LBPRGKRZSA-N 0 3 224.323 3.180 20 0 BGADHN CC(C)=CCN[C@H]1CCCc2ncccc21 ZINC000631619955 372465237 /nfs/dbraw/zinc/46/52/37/372465237.db2.gz BPERLGVWLHWCIO-AWEZNQCLSA-N 0 3 216.328 3.015 20 0 BGADHN CC(C)=CCN[C@@H]1CCCc2ncccc21 ZINC000631619956 372464685 /nfs/dbraw/zinc/46/46/85/372464685.db2.gz BPERLGVWLHWCIO-CQSZACIVSA-N 0 3 216.328 3.015 20 0 BGADHN C[C@H](CCc1c[nH]c2ccccc12)NCCF ZINC000631625966 372467564 /nfs/dbraw/zinc/46/75/64/372467564.db2.gz SUPAQANLOXTFAY-LLVKDONJSA-N 0 3 234.318 3.048 20 0 BGADHN C[C@@H](CCc1c[nH]c2ccccc12)NCCF ZINC000631625967 372467360 /nfs/dbraw/zinc/46/73/60/372467360.db2.gz SUPAQANLOXTFAY-NSHDSACASA-N 0 3 234.318 3.048 20 0 BGADHN CC/C=C\CN[C@@H]1CCCc2ncccc21 ZINC000631630598 372469426 /nfs/dbraw/zinc/46/94/26/372469426.db2.gz FWMJPTBRSZDQKB-DHCBQETCSA-N 0 3 216.328 3.015 20 0 BGADHN CC/C=C/CN[C@@H]1CCCc2ncccc21 ZINC000631630599 372469802 /nfs/dbraw/zinc/46/98/02/372469802.db2.gz FWMJPTBRSZDQKB-ITDFMYJTSA-N 0 3 216.328 3.015 20 0 BGADHN CC/C=C/CN[C@H]1CCCc2ncccc21 ZINC000631630600 372469556 /nfs/dbraw/zinc/46/95/56/372469556.db2.gz FWMJPTBRSZDQKB-OOPCZODUSA-N 0 3 216.328 3.015 20 0 BGADHN CC/C=C\CN[C@H]1CCCc2ncccc21 ZINC000631630602 372469241 /nfs/dbraw/zinc/46/92/41/372469241.db2.gz FWMJPTBRSZDQKB-SCOBNMCVSA-N 0 3 216.328 3.015 20 0 BGADHN C[C@H](N[C@H]1C[C@@H](O)C1)c1ccc(C2CCC2)cc1 ZINC000631630743 411419064 /nfs/dbraw/zinc/41/90/64/411419064.db2.gz DUXZGYLNZIMMNR-KNXALSJPSA-N 0 3 245.366 3.128 20 0 BGADHN C[C@@H](N[C@H]1C[C@@H](O)C1)c1ccc(C2CCC2)cc1 ZINC000631630749 411418995 /nfs/dbraw/zinc/41/89/95/411418995.db2.gz DUXZGYLNZIMMNR-LYRGGWFBSA-N 0 3 245.366 3.128 20 0 BGADHN CC(F)(F)CCN[C@@H]1CCCc2ncccc21 ZINC000631634573 372472315 /nfs/dbraw/zinc/47/23/15/372472315.db2.gz KUVNIPFRCRSLNN-GFCCVEGCSA-N 0 3 240.297 3.094 20 0 BGADHN CC(F)(F)CCN[C@H]1CCCc2ncccc21 ZINC000631634574 372472740 /nfs/dbraw/zinc/47/27/40/372472740.db2.gz KUVNIPFRCRSLNN-LBPRGKRZSA-N 0 3 240.297 3.094 20 0 BGADHN CCC[C@H](N[C@@H]1CC12CC2)c1cc(C)ccn1 ZINC000631637894 372473306 /nfs/dbraw/zinc/47/33/06/372473306.db2.gz GKEIAEOCNMWXHC-GXTWGEPZSA-N 0 3 230.355 3.373 20 0 BGADHN CCC[C@H](N[C@H]1CC12CC2)c1cc(C)ccn1 ZINC000631637895 372473713 /nfs/dbraw/zinc/47/37/13/372473713.db2.gz GKEIAEOCNMWXHC-JSGCOSHPSA-N 0 3 230.355 3.373 20 0 BGADHN CCC[C@@H](N[C@H]1CC12CC2)c1cc(C)ccn1 ZINC000631637896 372474092 /nfs/dbraw/zinc/47/40/92/372474092.db2.gz GKEIAEOCNMWXHC-OCCSQVGLSA-N 0 3 230.355 3.373 20 0 BGADHN CCC[C@@H](N[C@@H]1CC12CC2)c1cc(C)ccn1 ZINC000631637897 372474239 /nfs/dbraw/zinc/47/42/39/372474239.db2.gz GKEIAEOCNMWXHC-TZMCWYRMSA-N 0 3 230.355 3.373 20 0 BGADHN F[C@@H]1CCCC[C@H]1N[C@@H]1CCCc2ncccc21 ZINC000631640669 372476613 /nfs/dbraw/zinc/47/66/13/372476613.db2.gz CCBCIUCCTDGVFY-BPLDGKMQSA-N 0 3 248.345 3.329 20 0 BGADHN F[C@@H]1CCCC[C@H]1N[C@H]1CCCc2ncccc21 ZINC000631640670 372476536 /nfs/dbraw/zinc/47/65/36/372476536.db2.gz CCBCIUCCTDGVFY-VHDGCEQUSA-N 0 3 248.345 3.329 20 0 BGADHN C[C@@H](N[C@H]1C[C@H](O)C1)c1ccc(C2CCC2)cc1 ZINC000631647093 398305595 /nfs/dbraw/zinc/30/55/95/398305595.db2.gz DUXZGYLNZIMMNR-HFBAOOFYSA-N 0 3 245.366 3.128 20 0 BGADHN C[C@H](N[C@H]1C[C@H](O)C1)c1ccc(C2CCC2)cc1 ZINC000631647099 355853212 /nfs/dbraw/zinc/85/32/12/355853212.db2.gz DUXZGYLNZIMMNR-UVBJJODRSA-N 0 3 245.366 3.128 20 0 BGADHN C[C@H](NC/C=C/CO)c1ccc(C2CCC2)cc1 ZINC000631648320 355884533 /nfs/dbraw/zinc/88/45/33/355884533.db2.gz XBNDCLVQWFVMRK-IBUXWKBASA-N 0 3 245.366 3.153 20 0 BGADHN C[C@@H](NC/C=C\CO)c1ccc(C2CCC2)cc1 ZINC000631648321 355884255 /nfs/dbraw/zinc/88/42/55/355884255.db2.gz XBNDCLVQWFVMRK-XQJDBVBESA-N 0 3 245.366 3.153 20 0 BGADHN C[C@@H](NC/C=C/CO)c1ccc(C2CCC2)cc1 ZINC000631648322 355884069 /nfs/dbraw/zinc/88/40/69/355884069.db2.gz XBNDCLVQWFVMRK-YWVDXFKGSA-N 0 3 245.366 3.153 20 0 BGADHN C[C@H](NC/C=C\CO)c1ccc(C2CCC2)cc1 ZINC000631648323 355884436 /nfs/dbraw/zinc/88/44/36/355884436.db2.gz XBNDCLVQWFVMRK-ZRMMWKCHSA-N 0 3 245.366 3.153 20 0 BGADHN C1=C(CN[C@H]2CCCc3ncccc32)CCC1 ZINC000631649184 372480237 /nfs/dbraw/zinc/48/02/37/372480237.db2.gz SZUSMGHYZGIBEV-HNNXBMFYSA-N 0 3 228.339 3.159 20 0 BGADHN C1=C(CN[C@@H]2CCCc3ncccc32)CCC1 ZINC000631649185 372480276 /nfs/dbraw/zinc/48/02/76/372480276.db2.gz SZUSMGHYZGIBEV-OAHLLOKOSA-N 0 3 228.339 3.159 20 0 BGADHN C/C=C\CN[C@@H]1CCCOc2c(OC)cccc21 ZINC000631649580 372480255 /nfs/dbraw/zinc/48/02/55/372480255.db2.gz ANMNNFZPUMRLAL-DHCBQETCSA-N 0 3 247.338 3.075 20 0 BGADHN C/C=C/CN[C@@H]1CCCOc2c(OC)cccc21 ZINC000631649581 356377701 /nfs/dbraw/zinc/37/77/01/356377701.db2.gz ANMNNFZPUMRLAL-ITDFMYJTSA-N 0 3 247.338 3.075 20 0 BGADHN C/C=C/CN[C@H]1CCCOc2c(OC)cccc21 ZINC000631649582 356377790 /nfs/dbraw/zinc/37/77/90/356377790.db2.gz ANMNNFZPUMRLAL-OOPCZODUSA-N 0 3 247.338 3.075 20 0 BGADHN C/C=C\CN[C@H]1CCCOc2c(OC)cccc21 ZINC000631649583 356377670 /nfs/dbraw/zinc/37/76/70/356377670.db2.gz ANMNNFZPUMRLAL-SCOBNMCVSA-N 0 3 247.338 3.075 20 0 BGADHN C/C=C\CN[C@@H](CCC)c1cc(C)ccn1 ZINC000631649707 372481040 /nfs/dbraw/zinc/48/10/40/372481040.db2.gz FUSPXEZSNLLZKH-AGLBCWCQSA-N 0 3 218.344 3.397 20 0 BGADHN C/C=C/CN[C@@H](CCC)c1cc(C)ccn1 ZINC000631649708 372480589 /nfs/dbraw/zinc/48/05/89/372480589.db2.gz FUSPXEZSNLLZKH-BPJJOFIESA-N 0 3 218.344 3.397 20 0 BGADHN C/C=C/CN[C@H](CCC)c1cc(C)ccn1 ZINC000631649709 372480933 /nfs/dbraw/zinc/48/09/33/372480933.db2.gz FUSPXEZSNLLZKH-DIECRNLCSA-N 0 3 218.344 3.397 20 0 BGADHN C/C=C\CN[C@H](CCC)c1cc(C)ccn1 ZINC000631649710 372481129 /nfs/dbraw/zinc/48/11/29/372481129.db2.gz FUSPXEZSNLLZKH-RYWCDNDXSA-N 0 3 218.344 3.397 20 0 BGADHN C/C=C/CN[C@@H](CC)c1cccc(OC)c1OC ZINC000631650189 372480469 /nfs/dbraw/zinc/48/04/69/372480469.db2.gz LCDGZWVTNUXUEQ-IYNGYCSASA-N 0 3 249.354 3.321 20 0 BGADHN C/C=C\CN[C@H](CC)c1cccc(OC)c1OC ZINC000631650190 372480541 /nfs/dbraw/zinc/48/05/41/372480541.db2.gz LCDGZWVTNUXUEQ-SCXUMTSISA-N 0 3 249.354 3.321 20 0 BGADHN C/C=C\CN[C@@H](CC)c1cccc(OC)c1OC ZINC000631650191 372480874 /nfs/dbraw/zinc/48/08/74/372480874.db2.gz LCDGZWVTNUXUEQ-VGVVRCBHSA-N 0 3 249.354 3.321 20 0 BGADHN C/C=C/CN[C@H](CC)c1cccc(OC)c1OC ZINC000631650192 372481308 /nfs/dbraw/zinc/48/13/08/372481308.db2.gz LCDGZWVTNUXUEQ-VUDGCMKMSA-N 0 3 249.354 3.321 20 0 BGADHN CC(C)(F)CN[C@@H]1CCc2cc(F)ccc21 ZINC000631657250 372483256 /nfs/dbraw/zinc/48/32/56/372483256.db2.gz AAUKCUOJKUSXON-GFCCVEGCSA-N 0 3 225.282 3.151 20 0 BGADHN CC(C)(F)CN[C@H]1CCc2cc(F)ccc21 ZINC000631657251 372483227 /nfs/dbraw/zinc/48/32/27/372483227.db2.gz AAUKCUOJKUSXON-LBPRGKRZSA-N 0 3 225.282 3.151 20 0 BGADHN Cc1cccc([C@@H](C)NCC(C)(C)F)c1 ZINC000631657350 372483270 /nfs/dbraw/zinc/48/32/70/372483270.db2.gz BTMLPWYELCNKEC-LLVKDONJSA-N 0 3 209.308 3.394 20 0 BGADHN Cc1cccc([C@H](C)NCC(C)(C)F)c1 ZINC000631657351 372482715 /nfs/dbraw/zinc/48/27/15/372482715.db2.gz BTMLPWYELCNKEC-NSHDSACASA-N 0 3 209.308 3.394 20 0 BGADHN Cc1ccc([C@@H](C)NCC(C)(C)F)cc1 ZINC000631657404 357040433 /nfs/dbraw/zinc/04/04/33/357040433.db2.gz CYBPQMKRFWUJOY-LLVKDONJSA-N 0 3 209.308 3.394 20 0 BGADHN Cc1ccc([C@H](C)NCC(C)(C)F)cc1 ZINC000631657424 357040011 /nfs/dbraw/zinc/04/00/11/357040011.db2.gz CYBPQMKRFWUJOY-NSHDSACASA-N 0 3 209.308 3.394 20 0 BGADHN CC(C)(F)CN[C@@H]1CCc2ccccc21 ZINC000631657506 372483563 /nfs/dbraw/zinc/48/35/63/372483563.db2.gz DOZXUNAGQWFUME-GFCCVEGCSA-N 0 3 207.292 3.012 20 0 BGADHN CC(C)(F)CN[C@H]1CCc2ccccc21 ZINC000631657507 372483697 /nfs/dbraw/zinc/48/36/97/372483697.db2.gz DOZXUNAGQWFUME-LBPRGKRZSA-N 0 3 207.292 3.012 20 0 BGADHN CC(C)(F)CN[C@H](c1ccccc1)C1CC1 ZINC000631657574 372483764 /nfs/dbraw/zinc/48/37/64/372483764.db2.gz FGOXCPNGYQAQGP-CYBMUJFWSA-N 0 3 221.319 3.475 20 0 BGADHN CC(C)(F)CN[C@@H](c1ccccc1)C1CC1 ZINC000631657575 372483791 /nfs/dbraw/zinc/48/37/91/372483791.db2.gz FGOXCPNGYQAQGP-ZDUSSCGKSA-N 0 3 221.319 3.475 20 0 BGADHN CC[C@@H](NCC(C)(C)F)c1cccc(OC)c1 ZINC000631657673 357062170 /nfs/dbraw/zinc/06/21/70/357062170.db2.gz GDAZRAGEDALPEH-CYBMUJFWSA-N 0 3 239.334 3.484 20 0 BGADHN CC[C@H](NCC(C)(C)F)c1cccc(OC)c1 ZINC000631657678 357060294 /nfs/dbraw/zinc/06/02/94/357060294.db2.gz GDAZRAGEDALPEH-ZDUSSCGKSA-N 0 3 239.334 3.484 20 0 BGADHN COc1cccc2c1CC[C@H]2NCC(C)(C)F ZINC000631657755 357063046 /nfs/dbraw/zinc/06/30/46/357063046.db2.gz GITOAOHEUXPKMF-GFCCVEGCSA-N 0 3 237.318 3.020 20 0 BGADHN COc1cccc2c1CC[C@@H]2NCC(C)(C)F ZINC000631657758 357063748 /nfs/dbraw/zinc/06/37/48/357063748.db2.gz GITOAOHEUXPKMF-LBPRGKRZSA-N 0 3 237.318 3.020 20 0 BGADHN C[C@H](Cc1ccsc1)NCC(C)(C)F ZINC000631657945 357067343 /nfs/dbraw/zinc/06/73/43/357067343.db2.gz HRCJLDJPXZUHJR-SECBINFHSA-N 0 3 215.337 3.017 20 0 BGADHN C[C@@H](Cc1ccsc1)NCC(C)(C)F ZINC000631657950 357067385 /nfs/dbraw/zinc/06/73/85/357067385.db2.gz HRCJLDJPXZUHJR-VIFPVBQESA-N 0 3 215.337 3.017 20 0 BGADHN CC(C)(F)CN[C@@H]1CCc2ccc(F)cc21 ZINC000631657967 357067404 /nfs/dbraw/zinc/06/74/04/357067404.db2.gz HXVQVQNAIMKYHD-GFCCVEGCSA-N 0 3 225.282 3.151 20 0 BGADHN CC(C)(F)CN[C@H]1CCc2ccc(F)cc21 ZINC000631657968 357067333 /nfs/dbraw/zinc/06/73/33/357067333.db2.gz HXVQVQNAIMKYHD-LBPRGKRZSA-N 0 3 225.282 3.151 20 0 BGADHN Cc1nc(C)c([C@@H](C)NCC(C)(C)F)s1 ZINC000631658127 372485012 /nfs/dbraw/zinc/48/50/12/372485012.db2.gz JDNIXBOOBDFNLP-SSDOTTSWSA-N 0 3 230.352 3.159 20 0 BGADHN Cc1nc(C)c([C@H](C)NCC(C)(C)F)s1 ZINC000631658142 372485514 /nfs/dbraw/zinc/48/55/14/372485514.db2.gz JDNIXBOOBDFNLP-ZETCQYMHSA-N 0 3 230.352 3.159 20 0 BGADHN CC(C)(F)CN[C@H]1CCCc2sccc21 ZINC000631658212 357136769 /nfs/dbraw/zinc/13/67/69/357136769.db2.gz JOZVZLQWETVTOJ-JTQLQIEISA-N 0 3 227.348 3.463 20 0 BGADHN CC(C)(F)CN[C@@H]1CCCc2sccc21 ZINC000631658213 357136647 /nfs/dbraw/zinc/13/66/47/357136647.db2.gz JOZVZLQWETVTOJ-SNVBAGLBSA-N 0 3 227.348 3.463 20 0 BGADHN CC[C@@H](NCC(C)(C)F)c1ccc(OC)cc1 ZINC000631658264 372484388 /nfs/dbraw/zinc/48/43/88/372484388.db2.gz KAOYIXSYYREAJA-CYBMUJFWSA-N 0 3 239.334 3.484 20 0 BGADHN CC[C@H](NCC(C)(C)F)c1ccc(OC)cc1 ZINC000631658265 372485131 /nfs/dbraw/zinc/48/51/31/372485131.db2.gz KAOYIXSYYREAJA-ZDUSSCGKSA-N 0 3 239.334 3.484 20 0 BGADHN Cc1ccc([C@@H](C)NCC(C)(C)F)s1 ZINC000631658272 357149646 /nfs/dbraw/zinc/14/96/46/357149646.db2.gz KDZJALMDOWWTLV-SECBINFHSA-N 0 3 215.337 3.455 20 0 BGADHN Cc1ccc([C@H](C)NCC(C)(C)F)s1 ZINC000631658273 357149442 /nfs/dbraw/zinc/14/94/42/357149442.db2.gz KDZJALMDOWWTLV-VIFPVBQESA-N 0 3 215.337 3.455 20 0 BGADHN CC(C)(F)CN[C@@H]1Cc2ccc(Cl)cc2C1 ZINC000631658417 372485538 /nfs/dbraw/zinc/48/55/38/372485538.db2.gz KPTWGPDNQUZHTA-GFCCVEGCSA-N 0 3 241.737 3.145 20 0 BGADHN CC(C)(F)CN[C@H]1Cc2ccc(Cl)cc2C1 ZINC000631658418 372485067 /nfs/dbraw/zinc/48/50/67/372485067.db2.gz KPTWGPDNQUZHTA-LBPRGKRZSA-N 0 3 241.737 3.145 20 0 BGADHN C[C@@H](NCC(C)(C)F)c1ccc(F)cc1 ZINC000631658425 372485657 /nfs/dbraw/zinc/48/56/57/372485657.db2.gz KUKGJYOYCBFZOY-SECBINFHSA-N 0 3 213.271 3.224 20 0 BGADHN C[C@H](NCC(C)(C)F)c1ccc(F)cc1 ZINC000631658426 372485231 /nfs/dbraw/zinc/48/52/31/372485231.db2.gz KUKGJYOYCBFZOY-VIFPVBQESA-N 0 3 213.271 3.224 20 0 BGADHN COc1ccc([C@@H](C)NCC(C)(C)F)cc1F ZINC000631658428 372484485 /nfs/dbraw/zinc/48/44/85/372484485.db2.gz KVXCDVJWEOEEFI-SECBINFHSA-N 0 3 243.297 3.233 20 0 BGADHN COc1ccc([C@H](C)NCC(C)(C)F)cc1F ZINC000631658429 372485267 /nfs/dbraw/zinc/48/52/67/372485267.db2.gz KVXCDVJWEOEEFI-VIFPVBQESA-N 0 3 243.297 3.233 20 0 BGADHN Cc1nc2c(s1)[C@H](NCC(C)(C)F)CCC2 ZINC000631658686 372484930 /nfs/dbraw/zinc/48/49/30/372484930.db2.gz MCOJMFWJXZLFBN-SECBINFHSA-N 0 3 242.363 3.167 20 0 BGADHN Cc1nc2c(s1)[C@@H](NCC(C)(C)F)CCC2 ZINC000631658687 372485488 /nfs/dbraw/zinc/48/54/88/372485488.db2.gz MCOJMFWJXZLFBN-VIFPVBQESA-N 0 3 242.363 3.167 20 0 BGADHN CC(C)(F)CNC1CC(c2ccccc2)C1 ZINC000631658735 372485634 /nfs/dbraw/zinc/48/56/34/372485634.db2.gz MYQSGBGBWKXEDS-UHFFFAOYSA-N 0 3 221.319 3.270 20 0 BGADHN Cc1ccccc1[C@@H](C)NCC(C)(C)F ZINC000631658777 372485243 /nfs/dbraw/zinc/48/52/43/372485243.db2.gz NIKNCSDKRKKYHP-LLVKDONJSA-N 0 3 209.308 3.394 20 0 BGADHN Cc1ccccc1[C@H](C)NCC(C)(C)F ZINC000631658779 372485256 /nfs/dbraw/zinc/48/52/56/372485256.db2.gz NIKNCSDKRKKYHP-NSHDSACASA-N 0 3 209.308 3.394 20 0 BGADHN C[C@@H](NCC(C)(C)F)c1cccc(F)c1 ZINC000631658782 372485552 /nfs/dbraw/zinc/48/55/52/372485552.db2.gz NKPKCWSDFMCPLB-SECBINFHSA-N 0 3 213.271 3.224 20 0 BGADHN C[C@H](NCC(C)(C)F)c1cccc(F)c1 ZINC000631658783 372484540 /nfs/dbraw/zinc/48/45/40/372484540.db2.gz NKPKCWSDFMCPLB-VIFPVBQESA-N 0 3 213.271 3.224 20 0 BGADHN CC(C)(F)CNC1CC(c2ccc(F)cc2)C1 ZINC000631659042 357185405 /nfs/dbraw/zinc/18/54/05/357185405.db2.gz OVVHUGSJYIKCDW-UHFFFAOYSA-N 0 3 239.309 3.409 20 0 BGADHN CC(C)[C@@H](NCC(C)(C)F)c1cccnc1 ZINC000631659116 357185994 /nfs/dbraw/zinc/18/59/94/357185994.db2.gz PGNCYBGWELLGHR-GFCCVEGCSA-N 0 3 224.323 3.116 20 0 BGADHN CC(C)[C@H](NCC(C)(C)F)c1cccnc1 ZINC000631659117 357185991 /nfs/dbraw/zinc/18/59/91/357185991.db2.gz PGNCYBGWELLGHR-LBPRGKRZSA-N 0 3 224.323 3.116 20 0 BGADHN CCc1nc(C)c([C@@H](C)NCC(C)(C)F)s1 ZINC000631659124 372485421 /nfs/dbraw/zinc/48/54/21/372485421.db2.gz PNVDXJHPPCCTSM-MRVPVSSYSA-N 0 3 244.379 3.413 20 0 BGADHN CCc1nc(C)c([C@H](C)NCC(C)(C)F)s1 ZINC000631659125 372484784 /nfs/dbraw/zinc/48/47/84/372484784.db2.gz PNVDXJHPPCCTSM-QMMMGPOBSA-N 0 3 244.379 3.413 20 0 BGADHN COc1cc([C@@H](C)NCC(C)(C)F)ccc1F ZINC000631659172 357186005 /nfs/dbraw/zinc/18/60/05/357186005.db2.gz QHHPBNZMZVRKHS-SECBINFHSA-N 0 3 243.297 3.233 20 0 BGADHN COc1cc([C@H](C)NCC(C)(C)F)ccc1F ZINC000631659173 357185956 /nfs/dbraw/zinc/18/59/56/357185956.db2.gz QHHPBNZMZVRKHS-VIFPVBQESA-N 0 3 243.297 3.233 20 0 BGADHN C[C@@H](NCC(C)(C)F)c1cccs1 ZINC000631659188 357186161 /nfs/dbraw/zinc/18/61/61/357186161.db2.gz QOICHVCUQGJUKA-MRVPVSSYSA-N 0 3 201.310 3.147 20 0 BGADHN C[C@H](NCC(C)(C)F)c1cccs1 ZINC000631659192 357186169 /nfs/dbraw/zinc/18/61/69/357186169.db2.gz QOICHVCUQGJUKA-QMMMGPOBSA-N 0 3 201.310 3.147 20 0 BGADHN Cc1ccsc1[C@@H](C)NCC(C)(C)F ZINC000631659197 357186441 /nfs/dbraw/zinc/18/64/41/357186441.db2.gz QSFAFXAZBWWTLD-SECBINFHSA-N 0 3 215.337 3.455 20 0 BGADHN Cc1ccsc1[C@H](C)NCC(C)(C)F ZINC000631659198 357186596 /nfs/dbraw/zinc/18/65/96/357186596.db2.gz QSFAFXAZBWWTLD-VIFPVBQESA-N 0 3 215.337 3.455 20 0 BGADHN C[C@@H](NCC(C)(C)F)c1ccsc1 ZINC000631659247 357187080 /nfs/dbraw/zinc/18/70/80/357187080.db2.gz QVCSMDOSCYXJEU-MRVPVSSYSA-N 0 3 201.310 3.147 20 0 BGADHN C[C@H](NCC(C)(C)F)c1ccsc1 ZINC000631659254 357186890 /nfs/dbraw/zinc/18/68/90/357186890.db2.gz QVCSMDOSCYXJEU-QMMMGPOBSA-N 0 3 201.310 3.147 20 0 BGADHN COc1ccc([C@H](C)NCC(C)(C)F)cc1 ZINC000631659264 372484416 /nfs/dbraw/zinc/48/44/16/372484416.db2.gz QWOSSSQUBICFQN-JTQLQIEISA-N 0 3 225.307 3.094 20 0 BGADHN COc1ccc([C@@H](C)NCC(C)(C)F)cc1 ZINC000631659481 372484969 /nfs/dbraw/zinc/48/49/69/372484969.db2.gz QWOSSSQUBICFQN-SNVBAGLBSA-N 0 3 225.307 3.094 20 0 BGADHN COc1ccc2c(c1)[C@H](NCC(C)(C)F)CC2 ZINC000631659484 372484432 /nfs/dbraw/zinc/48/44/32/372484432.db2.gz QYTHWPWULHGDOH-CYBMUJFWSA-N 0 3 237.318 3.020 20 0 BGADHN COc1ccc2c(c1)[C@@H](NCC(C)(C)F)CC2 ZINC000631659485 372485116 /nfs/dbraw/zinc/48/51/16/372485116.db2.gz QYTHWPWULHGDOH-ZDUSSCGKSA-N 0 3 237.318 3.020 20 0 BGADHN COc1cccc([C@H](C)NCC(C)(C)F)c1 ZINC000631659512 372484450 /nfs/dbraw/zinc/48/44/50/372484450.db2.gz RKCKCYUHQULETH-JTQLQIEISA-N 0 3 225.307 3.094 20 0 BGADHN COc1cccc([C@@H](C)NCC(C)(C)F)c1 ZINC000631659513 372485314 /nfs/dbraw/zinc/48/53/14/372485314.db2.gz RKCKCYUHQULETH-SNVBAGLBSA-N 0 3 225.307 3.094 20 0 BGADHN C[C@H](Cc1cccs1)NCC(C)(C)F ZINC000631659697 357189154 /nfs/dbraw/zinc/18/91/54/357189154.db2.gz RZUJZQXOMJRZBC-SECBINFHSA-N 0 3 215.337 3.017 20 0 BGADHN C[C@@H](Cc1cccs1)NCC(C)(C)F ZINC000631659699 357189383 /nfs/dbraw/zinc/18/93/83/357189383.db2.gz RZUJZQXOMJRZBC-VIFPVBQESA-N 0 3 215.337 3.017 20 0 BGADHN CC(C)(F)CN[C@@H](c1cccnc1)C1CCC1 ZINC000631659954 372485587 /nfs/dbraw/zinc/48/55/87/372485587.db2.gz CUVGGKPUTKMSAK-CYBMUJFWSA-N 0 3 236.334 3.261 20 0 BGADHN CC(C)(F)CN[C@H](c1cccnc1)C1CCC1 ZINC000631659955 372485204 /nfs/dbraw/zinc/48/52/04/372485204.db2.gz CUVGGKPUTKMSAK-ZDUSSCGKSA-N 0 3 236.334 3.261 20 0 BGADHN CC(C)(F)CN[C@@H]1CCc2c1cccc2F ZINC000631660101 372485180 /nfs/dbraw/zinc/48/51/80/372485180.db2.gz UHNGURYAGATKGJ-GFCCVEGCSA-N 0 3 225.282 3.151 20 0 BGADHN CC(C)(F)CN[C@H]1CCc2c1cccc2F ZINC000631660104 372485470 /nfs/dbraw/zinc/48/54/70/372485470.db2.gz UHNGURYAGATKGJ-LBPRGKRZSA-N 0 3 225.282 3.151 20 0 BGADHN C[C@H](NCC(C)(C)F)c1ccc2c(c1)COC2 ZINC000631660115 372485326 /nfs/dbraw/zinc/48/53/26/372485326.db2.gz UHXSSLAROICNCA-JTQLQIEISA-N 0 3 237.318 3.116 20 0 BGADHN C[C@@H](NCC(C)(C)F)c1ccc2c(c1)COC2 ZINC000631660117 372485599 /nfs/dbraw/zinc/48/55/99/372485599.db2.gz UHXSSLAROICNCA-SNVBAGLBSA-N 0 3 237.318 3.116 20 0 BGADHN COc1ccc([C@@H](C)NCC(C)(C)F)c(C)c1 ZINC000631660195 372486408 /nfs/dbraw/zinc/48/64/08/372486408.db2.gz DSPHHZUZEBAMFD-LLVKDONJSA-N 0 3 239.334 3.402 20 0 BGADHN COc1ccc([C@H](C)NCC(C)(C)F)c(C)c1 ZINC000631660200 372486208 /nfs/dbraw/zinc/48/62/08/372486208.db2.gz DSPHHZUZEBAMFD-NSHDSACASA-N 0 3 239.334 3.402 20 0 BGADHN CC(C)(F)CN[C@@H]1CCCNc2ccccc21 ZINC000631660234 372487107 /nfs/dbraw/zinc/48/71/07/372487107.db2.gz DTMDACLUOUSLRQ-CYBMUJFWSA-N 0 3 236.334 3.271 20 0 BGADHN CC(C)(F)CN[C@H]1CCCNc2ccccc21 ZINC000631660235 357193594 /nfs/dbraw/zinc/19/35/94/357193594.db2.gz DTMDACLUOUSLRQ-ZDUSSCGKSA-N 0 3 236.334 3.271 20 0 BGADHN CO[C@H](c1ccccc1)[C@H](C)NCC(C)(C)F ZINC000631660237 357193763 /nfs/dbraw/zinc/19/37/63/357193763.db2.gz DTSVOSWOAKDGPP-AAEUAGOBSA-N 0 3 239.334 3.100 20 0 BGADHN CO[C@@H](c1ccccc1)[C@@H](C)NCC(C)(C)F ZINC000631660241 357193493 /nfs/dbraw/zinc/19/34/93/357193493.db2.gz DTSVOSWOAKDGPP-DGCLKSJQSA-N 0 3 239.334 3.100 20 0 BGADHN CO[C@@H](c1ccccc1)[C@H](C)NCC(C)(C)F ZINC000631660251 357193857 /nfs/dbraw/zinc/19/38/57/357193857.db2.gz DTSVOSWOAKDGPP-WCQYABFASA-N 0 3 239.334 3.100 20 0 BGADHN CO[C@H](c1ccccc1)[C@@H](C)NCC(C)(C)F ZINC000631660259 357193529 /nfs/dbraw/zinc/19/35/29/357193529.db2.gz DTSVOSWOAKDGPP-YPMHNXCESA-N 0 3 239.334 3.100 20 0 BGADHN CCOc1ccc([C@@H](C)NCC(C)(C)F)cc1 ZINC000631660595 372486748 /nfs/dbraw/zinc/48/67/48/372486748.db2.gz WMRVIUKCCHAYOQ-LLVKDONJSA-N 0 3 239.334 3.484 20 0 BGADHN CCOc1ccc([C@H](C)NCC(C)(C)F)cc1 ZINC000631660596 357197184 /nfs/dbraw/zinc/19/71/84/357197184.db2.gz WMRVIUKCCHAYOQ-NSHDSACASA-N 0 3 239.334 3.484 20 0 BGADHN C[C@@H](NCC(C)(C)F)c1ccccc1N(C)C ZINC000631660637 372486655 /nfs/dbraw/zinc/48/66/55/372486655.db2.gz WSMVVCMVIHPULG-LLVKDONJSA-N 0 3 238.350 3.151 20 0 BGADHN C[C@H](NCC(C)(C)F)c1ccccc1N(C)C ZINC000631660638 372486438 /nfs/dbraw/zinc/48/64/38/372486438.db2.gz WSMVVCMVIHPULG-NSHDSACASA-N 0 3 238.350 3.151 20 0 BGADHN CCC[C@@H](NCC(C)(C)F)c1cccnc1 ZINC000631660662 372487093 /nfs/dbraw/zinc/48/70/93/372487093.db2.gz WWGZVPIFPGZKRH-GFCCVEGCSA-N 0 3 224.323 3.261 20 0 BGADHN CCC[C@H](NCC(C)(C)F)c1cccnc1 ZINC000631660664 372487025 /nfs/dbraw/zinc/48/70/25/372487025.db2.gz WWGZVPIFPGZKRH-LBPRGKRZSA-N 0 3 224.323 3.261 20 0 BGADHN Cc1ccc([C@H](C)NCC(C)(C)F)c(C)n1 ZINC000631660838 372486922 /nfs/dbraw/zinc/48/69/22/372486922.db2.gz ZOFCXRQJDICGIU-JTQLQIEISA-N 0 3 224.323 3.097 20 0 BGADHN Cc1ccc([C@@H](C)NCC(C)(C)F)c(C)n1 ZINC000631660839 372487228 /nfs/dbraw/zinc/48/72/28/372487228.db2.gz ZOFCXRQJDICGIU-SNVBAGLBSA-N 0 3 224.323 3.097 20 0 BGADHN CC(C)(F)CNC1CC(c2cccc(F)c2)C1 ZINC000631660842 372486051 /nfs/dbraw/zinc/48/60/51/372486051.db2.gz GONXTNGYWYFBAS-UHFFFAOYSA-N 0 3 239.309 3.409 20 0 BGADHN CC(C)(F)CN[C@@H]1CCCc2c(O)cccc21 ZINC000631660890 372486981 /nfs/dbraw/zinc/48/69/81/372486981.db2.gz GWQVTACJTKOJEW-GFCCVEGCSA-N 0 3 237.318 3.107 20 0 BGADHN CC(C)(F)CN[C@H]1CCCc2c(O)cccc21 ZINC000631660892 372486848 /nfs/dbraw/zinc/48/68/48/372486848.db2.gz GWQVTACJTKOJEW-LBPRGKRZSA-N 0 3 237.318 3.107 20 0 BGADHN Cc1csc([C@@H](C)N[C@@H]2CCCC23CC3)n1 ZINC000631661096 372487215 /nfs/dbraw/zinc/48/72/15/372487215.db2.gz BBXSBWNOBVZCRS-GHMZBOCLSA-N 0 3 236.384 3.435 20 0 BGADHN Cc1csc([C@@H](C)N[C@H]2CCCC23CC3)n1 ZINC000631661098 372486784 /nfs/dbraw/zinc/48/67/84/372486784.db2.gz BBXSBWNOBVZCRS-MNOVXSKESA-N 0 3 236.384 3.435 20 0 BGADHN Cc1csc([C@H](C)N[C@H]2CCCC23CC3)n1 ZINC000631661100 372487277 /nfs/dbraw/zinc/48/72/77/372487277.db2.gz BBXSBWNOBVZCRS-QWRGUYRKSA-N 0 3 236.384 3.435 20 0 BGADHN Cc1csc([C@H](C)N[C@@H]2CCCC23CC3)n1 ZINC000631661102 357199150 /nfs/dbraw/zinc/19/91/50/357199150.db2.gz BBXSBWNOBVZCRS-WDEREUQCSA-N 0 3 236.384 3.435 20 0 BGADHN C[C@H](N[C@H]1CCCC12CC2)c1ccc(F)cn1 ZINC000631661149 372486193 /nfs/dbraw/zinc/48/61/93/372486193.db2.gz BGYJCZFJBBKOCV-GWCFXTLKSA-N 0 3 234.318 3.204 20 0 BGADHN C[C@H](N[C@@H]1CCCC12CC2)c1ccc(F)cn1 ZINC000631661150 372486798 /nfs/dbraw/zinc/48/67/98/372486798.db2.gz BGYJCZFJBBKOCV-GXFFZTMASA-N 0 3 234.318 3.204 20 0 BGADHN C[C@@H](N[C@H]1CCCC12CC2)c1ccc(F)cn1 ZINC000631661151 372486564 /nfs/dbraw/zinc/48/65/64/372486564.db2.gz BGYJCZFJBBKOCV-MFKMUULPSA-N 0 3 234.318 3.204 20 0 BGADHN C[C@@H](N[C@@H]1CCCC12CC2)c1ccc(F)cn1 ZINC000631661152 372486993 /nfs/dbraw/zinc/48/69/93/372486993.db2.gz BGYJCZFJBBKOCV-ZWNOBZJWSA-N 0 3 234.318 3.204 20 0 BGADHN COc1ccc2c(c1)CC[C@H]2NCC(C)(C)F ZINC000631661521 372487151 /nfs/dbraw/zinc/48/71/51/372487151.db2.gz JKXKUZSTARCCQS-CYBMUJFWSA-N 0 3 237.318 3.020 20 0 BGADHN COc1ccc2c(c1)CC[C@@H]2NCC(C)(C)F ZINC000631661522 372486068 /nfs/dbraw/zinc/48/60/68/372486068.db2.gz JKXKUZSTARCCQS-ZDUSSCGKSA-N 0 3 237.318 3.020 20 0 BGADHN C[C@@H](Cc1ccccc1F)NCC(C)(C)F ZINC000631662111 372487755 /nfs/dbraw/zinc/48/77/55/372487755.db2.gz KUWFIFLBXBHUOY-JTQLQIEISA-N 0 3 227.298 3.094 20 0 BGADHN C[C@H](Cc1ccccc1F)NCC(C)(C)F ZINC000631662112 372488388 /nfs/dbraw/zinc/48/83/88/372488388.db2.gz KUWFIFLBXBHUOY-SNVBAGLBSA-N 0 3 227.298 3.094 20 0 BGADHN C[C@H](N[C@@H]1CCCC12CC2)c1ccco1 ZINC000631662343 372487919 /nfs/dbraw/zinc/48/79/19/372487919.db2.gz DPRCWYDGFZHJSK-CMPLNLGQSA-N 0 3 205.301 3.263 20 0 BGADHN C[C@H](N[C@H]1CCCC12CC2)c1ccco1 ZINC000631662344 372487905 /nfs/dbraw/zinc/48/79/05/372487905.db2.gz DPRCWYDGFZHJSK-JQWIXIFHSA-N 0 3 205.301 3.263 20 0 BGADHN C[C@@H](N[C@H]1CCCC12CC2)c1ccco1 ZINC000631662346 372488533 /nfs/dbraw/zinc/48/85/33/372488533.db2.gz DPRCWYDGFZHJSK-PWSUYJOCSA-N 0 3 205.301 3.263 20 0 BGADHN C[C@@H](N[C@@H]1CCCC12CC2)c1ccco1 ZINC000631662347 372487824 /nfs/dbraw/zinc/48/78/24/372487824.db2.gz DPRCWYDGFZHJSK-ZYHUDNBSSA-N 0 3 205.301 3.263 20 0 BGADHN Cc1nc([C@@H](C)N[C@@H]2CCCC23CC3)cs1 ZINC000631662397 372488058 /nfs/dbraw/zinc/48/80/58/372488058.db2.gz GDCAQGVCACGBOQ-BXKDBHETSA-N 0 3 236.384 3.435 20 0 BGADHN Cc1nc([C@H](C)N[C@H]2CCCC23CC3)cs1 ZINC000631662398 372488747 /nfs/dbraw/zinc/48/87/47/372488747.db2.gz GDCAQGVCACGBOQ-CABZTGNLSA-N 0 3 236.384 3.435 20 0 BGADHN Cc1nc([C@H](C)N[C@@H]2CCCC23CC3)cs1 ZINC000631662400 372488610 /nfs/dbraw/zinc/48/86/10/372488610.db2.gz GDCAQGVCACGBOQ-JOYOIKCWSA-N 0 3 236.384 3.435 20 0 BGADHN Cc1nc([C@@H](C)N[C@H]2CCCC23CC3)cs1 ZINC000631662401 372487728 /nfs/dbraw/zinc/48/77/28/372487728.db2.gz GDCAQGVCACGBOQ-SKDRFNHKSA-N 0 3 236.384 3.435 20 0 BGADHN Cc1cc([C@@H](C)NCC(C)(C)F)cs1 ZINC000631662746 372488516 /nfs/dbraw/zinc/48/85/16/372488516.db2.gz NQQKYPSSBSFPHL-SECBINFHSA-N 0 3 215.337 3.455 20 0 BGADHN Cc1cc([C@H](C)NCC(C)(C)F)cs1 ZINC000631662749 372487880 /nfs/dbraw/zinc/48/78/80/372487880.db2.gz NQQKYPSSBSFPHL-VIFPVBQESA-N 0 3 215.337 3.455 20 0 BGADHN CC(C)(F)CNC1CC(c2ccccc2F)C1 ZINC000631664858 372489549 /nfs/dbraw/zinc/48/95/49/372489549.db2.gz UZMWYNCTSGQTQW-UHFFFAOYSA-N 0 3 239.309 3.409 20 0 BGADHN CC(C)(F)CN[C@@H]1CCCc2ccc(O)cc21 ZINC000631665103 357247539 /nfs/dbraw/zinc/24/75/39/357247539.db2.gz VXAMOTPCUUWCJA-CYBMUJFWSA-N 0 3 237.318 3.107 20 0 BGADHN CC(C)(F)CN[C@H]1CCCc2ccc(O)cc21 ZINC000631665104 357247562 /nfs/dbraw/zinc/24/75/62/357247562.db2.gz VXAMOTPCUUWCJA-ZDUSSCGKSA-N 0 3 237.318 3.107 20 0 BGADHN C[C@H](N[C@H]1CCCC12CC2)c1ccccn1 ZINC000631665277 372491263 /nfs/dbraw/zinc/49/12/63/372491263.db2.gz QEGQWWUIGXQZAC-AAEUAGOBSA-N 0 3 216.328 3.065 20 0 BGADHN C[C@@H](N[C@@H]1CCCC12CC2)c1ccccn1 ZINC000631665278 372491199 /nfs/dbraw/zinc/49/11/99/372491199.db2.gz QEGQWWUIGXQZAC-DGCLKSJQSA-N 0 3 216.328 3.065 20 0 BGADHN C[C@H](N[C@@H]1CCCC12CC2)c1ccccn1 ZINC000631665279 372491312 /nfs/dbraw/zinc/49/13/12/372491312.db2.gz QEGQWWUIGXQZAC-WCQYABFASA-N 0 3 216.328 3.065 20 0 BGADHN C[C@@H](N[C@H]1CCCC12CC2)c1ccccn1 ZINC000631665280 372491305 /nfs/dbraw/zinc/49/13/05/372491305.db2.gz QEGQWWUIGXQZAC-YPMHNXCESA-N 0 3 216.328 3.065 20 0 BGADHN c1nc2c(s1)CCC[C@@H]2N[C@@H]1CCCC12CC2 ZINC000631666406 372491887 /nfs/dbraw/zinc/49/18/87/372491887.db2.gz YOLMBVRKULPGNX-CMPLNLGQSA-N 0 3 248.395 3.443 20 0 BGADHN c1nc2c(s1)CCC[C@@H]2N[C@H]1CCCC12CC2 ZINC000631666408 372492509 /nfs/dbraw/zinc/49/25/09/372492509.db2.gz YOLMBVRKULPGNX-JQWIXIFHSA-N 0 3 248.395 3.443 20 0 BGADHN c1nc2c(s1)CCC[C@H]2N[C@H]1CCCC12CC2 ZINC000631666410 372492347 /nfs/dbraw/zinc/49/23/47/372492347.db2.gz YOLMBVRKULPGNX-PWSUYJOCSA-N 0 3 248.395 3.443 20 0 BGADHN c1nc2c(s1)CCC[C@H]2N[C@@H]1CCCC12CC2 ZINC000631666411 372492216 /nfs/dbraw/zinc/49/22/16/372492216.db2.gz YOLMBVRKULPGNX-ZYHUDNBSSA-N 0 3 248.395 3.443 20 0 BGADHN CCC[C@@H](CCO)N[C@H](C)c1ccc(CC)o1 ZINC000631667449 357697758 /nfs/dbraw/zinc/69/77/58/357697758.db2.gz PKIRNPQCXRWWMT-NEPJUHHUSA-N 0 3 239.359 3.044 20 0 BGADHN CCC[C@H](CCO)N[C@@H](C)c1ccc(CC)o1 ZINC000631667450 357698205 /nfs/dbraw/zinc/69/82/05/357698205.db2.gz PKIRNPQCXRWWMT-NWDGAFQWSA-N 0 3 239.359 3.044 20 0 BGADHN CCC[C@@H](CCO)N[C@@H](C)c1ccc(CC)o1 ZINC000631667451 357698273 /nfs/dbraw/zinc/69/82/73/357698273.db2.gz PKIRNPQCXRWWMT-RYUDHWBXSA-N 0 3 239.359 3.044 20 0 BGADHN CCC[C@H](CCO)N[C@H](C)c1ccc(CC)o1 ZINC000631667452 357698095 /nfs/dbraw/zinc/69/80/95/357698095.db2.gz PKIRNPQCXRWWMT-VXGBXAGGSA-N 0 3 239.359 3.044 20 0 BGADHN CCC[C@@H](CCO)N[C@@H](C)c1cc(C)oc1C ZINC000631667832 372493769 /nfs/dbraw/zinc/49/37/69/372493769.db2.gz SGLDDXSRTWTWDS-AAEUAGOBSA-N 0 3 239.359 3.098 20 0 BGADHN CCC[C@H](CCO)N[C@H](C)c1cc(C)oc1C ZINC000631667834 372493447 /nfs/dbraw/zinc/49/34/47/372493447.db2.gz SGLDDXSRTWTWDS-DGCLKSJQSA-N 0 3 239.359 3.098 20 0 BGADHN CCC[C@H](CCO)N[C@@H](C)c1cc(C)oc1C ZINC000631667835 372493617 /nfs/dbraw/zinc/49/36/17/372493617.db2.gz SGLDDXSRTWTWDS-WCQYABFASA-N 0 3 239.359 3.098 20 0 BGADHN CCC[C@@H](CCO)N[C@H](C)c1cc(C)oc1C ZINC000631667836 372493352 /nfs/dbraw/zinc/49/33/52/372493352.db2.gz SGLDDXSRTWTWDS-YPMHNXCESA-N 0 3 239.359 3.098 20 0 BGADHN CCC[C@@H](CCO)N[C@@H](C)c1cc(C)c(C)o1 ZINC000631669649 358448094 /nfs/dbraw/zinc/44/80/94/358448094.db2.gz QYBMMIFZSGRHRV-AAEUAGOBSA-N 0 3 239.359 3.098 20 0 BGADHN CCC[C@H](CCO)N[C@H](C)c1cc(C)c(C)o1 ZINC000631669652 358447595 /nfs/dbraw/zinc/44/75/95/358447595.db2.gz QYBMMIFZSGRHRV-DGCLKSJQSA-N 0 3 239.359 3.098 20 0 BGADHN CCC[C@H](CCO)N[C@@H](C)c1cc(C)c(C)o1 ZINC000631669654 358448006 /nfs/dbraw/zinc/44/80/06/358448006.db2.gz QYBMMIFZSGRHRV-WCQYABFASA-N 0 3 239.359 3.098 20 0 BGADHN CCC[C@@H](CCO)N[C@H](C)c1cc(C)c(C)o1 ZINC000631669656 358447709 /nfs/dbraw/zinc/44/77/09/358447709.db2.gz QYBMMIFZSGRHRV-YPMHNXCESA-N 0 3 239.359 3.098 20 0 BGADHN Cc1n[nH]cc1[C@@H](C)NCc1csc(C)c1C ZINC000631681699 372505312 /nfs/dbraw/zinc/50/53/12/372505312.db2.gz FSLJGZGQRMOQDK-SECBINFHSA-N 0 3 249.383 3.247 20 0 BGADHN Cc1n[nH]cc1[C@H](C)NCc1csc(C)c1C ZINC000631681700 372505543 /nfs/dbraw/zinc/50/55/43/372505543.db2.gz FSLJGZGQRMOQDK-VIFPVBQESA-N 0 3 249.383 3.247 20 0 BGADHN CCC(C)(C)CCN[C@@H](c1nccn1C)C1CC1 ZINC000631682058 372505612 /nfs/dbraw/zinc/50/56/12/372505612.db2.gz CRIKKVIPHCQFMB-CYBMUJFWSA-N 0 3 249.402 3.287 20 0 BGADHN CCC(C)(C)CCN[C@H](c1nccn1C)C1CC1 ZINC000631682059 372505650 /nfs/dbraw/zinc/50/56/50/372505650.db2.gz CRIKKVIPHCQFMB-ZDUSSCGKSA-N 0 3 249.402 3.287 20 0 BGADHN CCC(C)(C)CCN[C@@H]1CCCn2ccnc21 ZINC000631682927 372506270 /nfs/dbraw/zinc/50/62/70/372506270.db2.gz IGRRWQVMLQCXAY-GFCCVEGCSA-N 0 3 235.375 3.134 20 0 BGADHN CCC(C)(C)CCN[C@H]1CCCn2ccnc21 ZINC000631682928 372506484 /nfs/dbraw/zinc/50/64/84/372506484.db2.gz IGRRWQVMLQCXAY-LBPRGKRZSA-N 0 3 235.375 3.134 20 0 BGADHN CC[C@@H](NCCC(C)(C)CC)c1ccn(C)n1 ZINC000631682958 372506154 /nfs/dbraw/zinc/50/61/54/372506154.db2.gz IZQQODWNIHUFRB-GFCCVEGCSA-N 0 3 237.391 3.287 20 0 BGADHN CC[C@H](NCCC(C)(C)CC)c1ccn(C)n1 ZINC000631682986 372506568 /nfs/dbraw/zinc/50/65/68/372506568.db2.gz IZQQODWNIHUFRB-LBPRGKRZSA-N 0 3 237.391 3.287 20 0 BGADHN CC[C@@H](NCCC(C)(C)CC)c1nccn1C ZINC000631683914 364539644 /nfs/dbraw/zinc/53/96/44/364539644.db2.gz OIFSYZIAPZVUJE-GFCCVEGCSA-N 0 3 237.391 3.287 20 0 BGADHN CC[C@H](NCCC(C)(C)CC)c1nccn1C ZINC000631683920 364539633 /nfs/dbraw/zinc/53/96/33/364539633.db2.gz OIFSYZIAPZVUJE-LBPRGKRZSA-N 0 3 237.391 3.287 20 0 BGADHN CCn1ccnc1[C@@H](C)NCCC(C)(C)CC ZINC000631684868 372507461 /nfs/dbraw/zinc/50/74/61/372507461.db2.gz VSCXOKPXLHQMOD-GFCCVEGCSA-N 0 3 237.391 3.380 20 0 BGADHN CCn1ccnc1[C@H](C)NCCC(C)(C)CC ZINC000631684869 372508021 /nfs/dbraw/zinc/50/80/21/372508021.db2.gz VSCXOKPXLHQMOD-LBPRGKRZSA-N 0 3 237.391 3.380 20 0 BGADHN CCC(C)(C)CCN[C@H](C)c1nccnc1C ZINC000631684879 364555096 /nfs/dbraw/zinc/55/50/96/364555096.db2.gz VSVOVKCKNKPLOU-LLVKDONJSA-N 0 3 235.375 3.262 20 0 BGADHN CCC(C)(C)CCN[C@@H](C)c1nccnc1C ZINC000631684884 364555029 /nfs/dbraw/zinc/55/50/29/364555029.db2.gz VSVOVKCKNKPLOU-NSHDSACASA-N 0 3 235.375 3.262 20 0 BGADHN CCC(C)(C)CCN[C@H](C)c1cc2n(n1)CCC2 ZINC000631685153 372507780 /nfs/dbraw/zinc/50/77/80/372507780.db2.gz XKWGAOIOPYVVPK-GFCCVEGCSA-N 0 3 249.402 3.306 20 0 BGADHN CCC(C)(C)CCN[C@@H](C)c1cc2n(n1)CCC2 ZINC000631685154 372507870 /nfs/dbraw/zinc/50/78/70/372507870.db2.gz XKWGAOIOPYVVPK-LBPRGKRZSA-N 0 3 249.402 3.306 20 0 BGADHN CCC(C)(C)CCN[C@H](C)c1cc(C)n(C)n1 ZINC000631685278 372507658 /nfs/dbraw/zinc/50/76/58/372507658.db2.gz ZAKLFOVJJGWUJV-GFCCVEGCSA-N 0 3 237.391 3.205 20 0 BGADHN CCC(C)(C)CCN[C@@H](C)c1cc(C)n(C)n1 ZINC000631685279 372507583 /nfs/dbraw/zinc/50/75/83/372507583.db2.gz ZAKLFOVJJGWUJV-LBPRGKRZSA-N 0 3 237.391 3.205 20 0 BGADHN CCC(C)(C)CCN[C@H]1C[C@@H](C)n2ccnc21 ZINC000631685346 364557622 /nfs/dbraw/zinc/55/76/22/364557622.db2.gz ZQXMPISJWUNJNG-NEPJUHHUSA-N 0 3 235.375 3.305 20 0 BGADHN CCC(C)(C)CCN[C@@H]1C[C@H](C)n2ccnc21 ZINC000631685357 364558194 /nfs/dbraw/zinc/55/81/94/364558194.db2.gz ZQXMPISJWUNJNG-NWDGAFQWSA-N 0 3 235.375 3.305 20 0 BGADHN CCC(C)(C)CCN[C@H]1C[C@H](C)n2ccnc21 ZINC000631685367 364558145 /nfs/dbraw/zinc/55/81/45/364558145.db2.gz ZQXMPISJWUNJNG-RYUDHWBXSA-N 0 3 235.375 3.305 20 0 BGADHN CCC(C)(C)CCN[C@@H]1C[C@@H](C)n2ccnc21 ZINC000631685369 364557957 /nfs/dbraw/zinc/55/79/57/364557957.db2.gz ZQXMPISJWUNJNG-VXGBXAGGSA-N 0 3 235.375 3.305 20 0 BGADHN CCc1ccc([C@H](C)N[C@@H]2C[C@@H](C)O[C@@H]2C)o1 ZINC000631699827 398324343 /nfs/dbraw/zinc/32/43/43/398324343.db2.gz BHZXBAAHNXSLSI-LSCVPOLPSA-N 0 3 237.343 3.059 20 0 BGADHN CCc1ccc([C@H](C)N[C@@H]2C[C@H](C)O[C@@H]2C)o1 ZINC000631699828 398324364 /nfs/dbraw/zinc/32/43/64/398324364.db2.gz BHZXBAAHNXSLSI-MEWQQHAOSA-N 0 3 237.343 3.059 20 0 BGADHN CCc1ccc([C@H](C)N[C@@H]2C[C@@H](C)O[C@H]2C)o1 ZINC000631699829 398324320 /nfs/dbraw/zinc/32/43/20/398324320.db2.gz BHZXBAAHNXSLSI-MPPDQPJWSA-N 0 3 237.343 3.059 20 0 BGADHN CCc1ccc([C@H](C)N[C@@H]2C[C@H](C)O[C@H]2C)o1 ZINC000631699830 398324392 /nfs/dbraw/zinc/32/43/92/398324392.db2.gz BHZXBAAHNXSLSI-MRBYEJRBSA-N 0 3 237.343 3.059 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2C[C@@H](C)O[C@@H]2C)oc1C ZINC000631704691 372515043 /nfs/dbraw/zinc/51/50/43/372515043.db2.gz SVYBOLAJOSFRDC-LYIQGSDWSA-N 0 3 237.343 3.113 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2C[C@@H](C)O[C@H]2C)oc1C ZINC000631704692 372515129 /nfs/dbraw/zinc/51/51/29/372515129.db2.gz SVYBOLAJOSFRDC-RSLMWUCJSA-N 0 3 237.343 3.113 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2C[C@H](C)O[C@H]2C)oc1C ZINC000631704693 372515037 /nfs/dbraw/zinc/51/50/37/372515037.db2.gz SVYBOLAJOSFRDC-XRRVDJEJSA-N 0 3 237.343 3.113 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2C[C@H](C)O[C@@H]2C)oc1C ZINC000631704694 372514697 /nfs/dbraw/zinc/51/46/97/372514697.db2.gz SVYBOLAJOSFRDC-YRRQLQLVSA-N 0 3 237.343 3.113 20 0 BGADHN CCC[C@H](N[C@@H]1C[C@H](C)O[C@@H]1C)c1cccnc1 ZINC000631704700 372514660 /nfs/dbraw/zinc/51/46/60/372514660.db2.gz TURDWDXAIAAOMB-MYZSUADSSA-N 0 3 248.370 3.078 20 0 BGADHN CCC[C@H](N[C@@H]1C[C@H](C)O[C@H]1C)c1cccnc1 ZINC000631704702 363927567 /nfs/dbraw/zinc/92/75/67/363927567.db2.gz TURDWDXAIAAOMB-NZBPQXDJSA-N 0 3 248.370 3.078 20 0 BGADHN CCC[C@H](N[C@@H]1C[C@@H](C)O[C@H]1C)c1cccnc1 ZINC000631704705 363926973 /nfs/dbraw/zinc/92/69/73/363926973.db2.gz TURDWDXAIAAOMB-PAPYEOQZSA-N 0 3 248.370 3.078 20 0 BGADHN CCC[C@H](N[C@@H]1C[C@@H](C)O[C@@H]1C)c1cccnc1 ZINC000631704707 363927550 /nfs/dbraw/zinc/92/75/50/363927550.db2.gz TURDWDXAIAAOMB-RJZRQDKASA-N 0 3 248.370 3.078 20 0 BGADHN Cc1ncc([C@@H](C)N[C@@H]2CCC23CCC3)s1 ZINC000631708114 372516309 /nfs/dbraw/zinc/51/63/09/372516309.db2.gz NDYAMWSQTKBAGU-BXKDBHETSA-N 0 3 236.384 3.435 20 0 BGADHN Cc1ncc([C@H](C)N[C@H]2CCC23CCC3)s1 ZINC000631708115 372516592 /nfs/dbraw/zinc/51/65/92/372516592.db2.gz NDYAMWSQTKBAGU-CABZTGNLSA-N 0 3 236.384 3.435 20 0 BGADHN Cc1ncc([C@H](C)N[C@@H]2CCC23CCC3)s1 ZINC000631708117 372515881 /nfs/dbraw/zinc/51/58/81/372515881.db2.gz NDYAMWSQTKBAGU-JOYOIKCWSA-N 0 3 236.384 3.435 20 0 BGADHN Cc1ncc([C@@H](C)N[C@H]2CCC23CCC3)s1 ZINC000631708119 372516218 /nfs/dbraw/zinc/51/62/18/372516218.db2.gz NDYAMWSQTKBAGU-SKDRFNHKSA-N 0 3 236.384 3.435 20 0 BGADHN Cc1ccc(CN[C@@H]2CCC[C@@H]3C[C@@]32C)o1 ZINC000631729357 372533268 /nfs/dbraw/zinc/53/32/68/372533268.db2.gz CYSCHLCTQYBDNY-BNOWGMLFSA-N 0 3 219.328 3.256 20 0 BGADHN Cc1ccc(CN[C@@H]2CCC[C@H]3C[C@]32C)o1 ZINC000631729358 372533347 /nfs/dbraw/zinc/53/33/47/372533347.db2.gz CYSCHLCTQYBDNY-IACUBPJLSA-N 0 3 219.328 3.256 20 0 BGADHN Cc1ccc(CN[C@H](C)CCC(F)(F)F)o1 ZINC000631729732 372533570 /nfs/dbraw/zinc/53/35/70/372533570.db2.gz IJUMKZCKVFBIRB-MRVPVSSYSA-N 0 3 235.249 3.409 20 0 BGADHN Cc1ccc(CN[C@@H](C)CCC(F)(F)F)o1 ZINC000631729733 372534187 /nfs/dbraw/zinc/53/41/87/372534187.db2.gz IJUMKZCKVFBIRB-QMMMGPOBSA-N 0 3 235.249 3.409 20 0 BGADHN Cc1ccc(CN[C@H](C)C(C)(C)C(F)F)o1 ZINC000631730049 372535521 /nfs/dbraw/zinc/53/55/21/372535521.db2.gz MSFQADPJAZJNTA-SECBINFHSA-N 0 3 231.286 3.357 20 0 BGADHN Cc1ccc(CN[C@@H](C)C(C)(C)C(F)F)o1 ZINC000631730052 372534845 /nfs/dbraw/zinc/53/48/45/372534845.db2.gz MSFQADPJAZJNTA-VIFPVBQESA-N 0 3 231.286 3.357 20 0 BGADHN COC1(C[C@@H](C)NCc2ccc(C)o2)CCC1 ZINC000631730166 372535419 /nfs/dbraw/zinc/53/54/19/372535419.db2.gz PBXKNXJFTSICSE-LLVKDONJSA-N 0 3 237.343 3.025 20 0 BGADHN COC1(C[C@H](C)NCc2ccc(C)o2)CCC1 ZINC000631730167 372534959 /nfs/dbraw/zinc/53/49/59/372534959.db2.gz PBXKNXJFTSICSE-NSHDSACASA-N 0 3 237.343 3.025 20 0 BGADHN COC1([C@@H](C)NCc2ccc(C)o2)CCCC1 ZINC000631730409 372534890 /nfs/dbraw/zinc/53/48/90/372534890.db2.gz TUKGIWNIDYVENR-GFCCVEGCSA-N 0 3 237.343 3.025 20 0 BGADHN COC1([C@H](C)NCc2ccc(C)o2)CCCC1 ZINC000631730410 372535219 /nfs/dbraw/zinc/53/52/19/372535219.db2.gz TUKGIWNIDYVENR-LBPRGKRZSA-N 0 3 237.343 3.025 20 0 BGADHN CCOC1CCC(NCc2ccc(C)o2)CC1 ZINC000631730447 364490555 /nfs/dbraw/zinc/49/05/55/364490555.db2.gz URLJVTBGICKQDW-UHFFFAOYSA-N 0 3 237.343 3.025 20 0 BGADHN Cc1ccc(CN[C@@H]2CCC23CCC3)o1 ZINC000631730456 372535451 /nfs/dbraw/zinc/53/54/51/372535451.db2.gz UWDPEZUQAACSHI-GFCCVEGCSA-N 0 3 205.301 3.010 20 0 BGADHN Cc1ccc(CN[C@H]2CCC23CCC3)o1 ZINC000631730457 372534938 /nfs/dbraw/zinc/53/49/38/372534938.db2.gz UWDPEZUQAACSHI-LBPRGKRZSA-N 0 3 205.301 3.010 20 0 BGADHN Cc1ccc(CNC2CCC3(CCCO3)CC2)o1 ZINC000631730556 372535122 /nfs/dbraw/zinc/53/51/22/372535122.db2.gz XIGAMBWKXKBAEP-UHFFFAOYSA-N 0 3 249.354 3.169 20 0 BGADHN C[C@H](CC1CCC1)N[C@H](C)c1ccc(F)cn1 ZINC000631738164 372538379 /nfs/dbraw/zinc/53/83/79/372538379.db2.gz GRCHXNGAAQDKLR-GHMZBOCLSA-N 0 3 236.334 3.450 20 0 BGADHN C[C@H](CC1CCC1)N[C@@H](C)c1ccc(F)cn1 ZINC000631738165 372538228 /nfs/dbraw/zinc/53/82/28/372538228.db2.gz GRCHXNGAAQDKLR-MNOVXSKESA-N 0 3 236.334 3.450 20 0 BGADHN C[C@@H](CC1CCC1)N[C@@H](C)c1ccc(F)cn1 ZINC000631738166 372538620 /nfs/dbraw/zinc/53/86/20/372538620.db2.gz GRCHXNGAAQDKLR-QWRGUYRKSA-N 0 3 236.334 3.450 20 0 BGADHN C[C@@H](N[C@@H](C)CC1CCC1)c1ccc(F)cn1 ZINC000631738167 372538291 /nfs/dbraw/zinc/53/82/91/372538291.db2.gz GRCHXNGAAQDKLR-WDEREUQCSA-N 0 3 236.334 3.450 20 0 BGADHN CC[C@H](N[C@@H](C)CC1CCC1)c1ccn(C)n1 ZINC000631738368 372539406 /nfs/dbraw/zinc/53/94/06/372539406.db2.gz LDFZELUQZGWZAF-AAEUAGOBSA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@@H](N[C@H](C)CC1CCC1)c1ccn(C)n1 ZINC000631738369 372539320 /nfs/dbraw/zinc/53/93/20/372539320.db2.gz LDFZELUQZGWZAF-DGCLKSJQSA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@@H](N[C@@H](C)CC1CCC1)c1ccn(C)n1 ZINC000631738370 372539553 /nfs/dbraw/zinc/53/95/53/372539553.db2.gz LDFZELUQZGWZAF-WCQYABFASA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@H](N[C@H](C)CC1CCC1)c1ccn(C)n1 ZINC000631738371 372539617 /nfs/dbraw/zinc/53/96/17/372539617.db2.gz LDFZELUQZGWZAF-YPMHNXCESA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@H](N[C@@H](C)CC1CCC1)c1nccn1C ZINC000631738430 364534896 /nfs/dbraw/zinc/53/48/96/364534896.db2.gz MCYMEEZCNORVLW-AAEUAGOBSA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@@H](N[C@H](C)CC1CCC1)c1nccn1C ZINC000631738431 364534694 /nfs/dbraw/zinc/53/46/94/364534694.db2.gz MCYMEEZCNORVLW-DGCLKSJQSA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@@H](N[C@@H](C)CC1CCC1)c1nccn1C ZINC000631738432 364534617 /nfs/dbraw/zinc/53/46/17/364534617.db2.gz MCYMEEZCNORVLW-WCQYABFASA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@H](N[C@H](C)CC1CCC1)c1nccn1C ZINC000631738433 364535263 /nfs/dbraw/zinc/53/52/63/364535263.db2.gz MCYMEEZCNORVLW-YPMHNXCESA-N 0 3 235.375 3.040 20 0 BGADHN Cc1nccnc1[C@@H](C)N[C@@H](C)CC1CCC1 ZINC000631738681 372539795 /nfs/dbraw/zinc/53/97/95/372539795.db2.gz RKFKRECYBZNAST-CMPLNLGQSA-N 0 3 233.359 3.014 20 0 BGADHN Cc1nccnc1[C@H](C)N[C@@H](C)CC1CCC1 ZINC000631738682 372539964 /nfs/dbraw/zinc/53/99/64/372539964.db2.gz RKFKRECYBZNAST-JQWIXIFHSA-N 0 3 233.359 3.014 20 0 BGADHN Cc1nccnc1[C@H](C)N[C@H](C)CC1CCC1 ZINC000631738683 372539848 /nfs/dbraw/zinc/53/98/48/372539848.db2.gz RKFKRECYBZNAST-PWSUYJOCSA-N 0 3 233.359 3.014 20 0 BGADHN Cc1nccnc1[C@@H](C)N[C@H](C)CC1CCC1 ZINC000631738684 372539485 /nfs/dbraw/zinc/53/94/85/372539485.db2.gz RKFKRECYBZNAST-ZYHUDNBSSA-N 0 3 233.359 3.014 20 0 BGADHN C[C@H](CC1CCC1)N[C@@H](C)c1cc2n(n1)CCC2 ZINC000631738811 364537302 /nfs/dbraw/zinc/53/73/02/364537302.db2.gz USFCIJCBEGJWTL-NEPJUHHUSA-N 0 3 247.386 3.059 20 0 BGADHN C[C@@H](N[C@@H](C)CC1CCC1)c1cc2n(n1)CCC2 ZINC000631738812 364537873 /nfs/dbraw/zinc/53/78/73/364537873.db2.gz USFCIJCBEGJWTL-NWDGAFQWSA-N 0 3 247.386 3.059 20 0 BGADHN C[C@@H](CC1CCC1)N[C@@H](C)c1cc2n(n1)CCC2 ZINC000631738813 364537443 /nfs/dbraw/zinc/53/74/43/364537443.db2.gz USFCIJCBEGJWTL-RYUDHWBXSA-N 0 3 247.386 3.059 20 0 BGADHN C[C@H](CC1CCC1)N[C@H](C)c1cc2n(n1)CCC2 ZINC000631738814 364537891 /nfs/dbraw/zinc/53/78/91/364537891.db2.gz USFCIJCBEGJWTL-VXGBXAGGSA-N 0 3 247.386 3.059 20 0 BGADHN C[C@H](N[C@@H](C1CCC1)[C@@H]1CCCO1)c1ccco1 ZINC000631741242 372541207 /nfs/dbraw/zinc/54/12/07/372541207.db2.gz DUBGESLDUQTRCU-CQDKDKBSSA-N 0 3 249.354 3.278 20 0 BGADHN C[C@H](N[C@@H](C1CCC1)[C@H]1CCCO1)c1ccco1 ZINC000631741243 372540998 /nfs/dbraw/zinc/54/09/98/372540998.db2.gz DUBGESLDUQTRCU-GLQYFDAESA-N 0 3 249.354 3.278 20 0 BGADHN C[C@H](N[C@H](C1CCC1)[C@H]1CCCO1)c1ccco1 ZINC000631741244 372541041 /nfs/dbraw/zinc/54/10/41/372541041.db2.gz DUBGESLDUQTRCU-NILFDRSVSA-N 0 3 249.354 3.278 20 0 BGADHN C[C@H](N[C@H](C1CCC1)[C@@H]1CCCO1)c1ccco1 ZINC000631741245 372540962 /nfs/dbraw/zinc/54/09/62/372540962.db2.gz DUBGESLDUQTRCU-TUKIKUTGSA-N 0 3 249.354 3.278 20 0 BGADHN C[C@H](N[C@@H](C1CCC1)[C@@H]1CCCO1)c1ccoc1 ZINC000631743035 372544352 /nfs/dbraw/zinc/54/43/52/372544352.db2.gz LGTLUTOLRGKXLX-CQDKDKBSSA-N 0 3 249.354 3.278 20 0 BGADHN C[C@H](N[C@@H](C1CCC1)[C@H]1CCCO1)c1ccoc1 ZINC000631743036 372544296 /nfs/dbraw/zinc/54/42/96/372544296.db2.gz LGTLUTOLRGKXLX-GLQYFDAESA-N 0 3 249.354 3.278 20 0 BGADHN C[C@H](N[C@H](C1CCC1)[C@H]1CCCO1)c1ccoc1 ZINC000631743037 372543750 /nfs/dbraw/zinc/54/37/50/372543750.db2.gz LGTLUTOLRGKXLX-NILFDRSVSA-N 0 3 249.354 3.278 20 0 BGADHN C[C@H](N[C@H](C1CCC1)[C@@H]1CCCO1)c1ccoc1 ZINC000631743038 372543429 /nfs/dbraw/zinc/54/34/29/372543429.db2.gz LGTLUTOLRGKXLX-TUKIKUTGSA-N 0 3 249.354 3.278 20 0 BGADHN CC[C@@H](N[C@@H]1C[C@H]1C(F)(F)F)c1ccncc1 ZINC000631753463 364661747 /nfs/dbraw/zinc/66/17/47/364661747.db2.gz MMTTXNIKURUSJX-GMTAPVOTSA-N 0 3 244.260 3.073 20 0 BGADHN CC[C@H](N[C@@H]1C[C@H]1C(F)(F)F)c1ccncc1 ZINC000631753464 364661840 /nfs/dbraw/zinc/66/18/40/364661840.db2.gz MMTTXNIKURUSJX-OUAUKWLOSA-N 0 3 244.260 3.073 20 0 BGADHN C[C@H](CCc1ccco1)N[C@@H]1C[C@H]1C(F)(F)F ZINC000631755442 372558577 /nfs/dbraw/zinc/55/85/77/372558577.db2.gz BPSHNMMJXKKAGF-FBIMIBRVSA-N 0 3 247.260 3.141 20 0 BGADHN C[C@@H](CCc1ccco1)N[C@@H]1C[C@H]1C(F)(F)F ZINC000631755443 372558235 /nfs/dbraw/zinc/55/82/35/372558235.db2.gz BPSHNMMJXKKAGF-JMJZKYOTSA-N 0 3 247.260 3.141 20 0 BGADHN C[C@@H](Cc1ccsc1)N[C@@H]1C[C@H]1C(F)(F)F ZINC000631755979 372560506 /nfs/dbraw/zinc/56/05/06/372560506.db2.gz HCMLODHSOURYTE-FXBDTBDDSA-N 0 3 249.301 3.220 20 0 BGADHN C[C@H](Cc1ccsc1)N[C@@H]1C[C@H]1C(F)(F)F ZINC000631755980 372560263 /nfs/dbraw/zinc/56/02/63/372560263.db2.gz HCMLODHSOURYTE-SZEHBUNVSA-N 0 3 249.301 3.220 20 0 BGADHN C[C@@H](N[C@@H]1C[C@H]1C(F)(F)F)c1ccc(F)cc1 ZINC000631756252 372560401 /nfs/dbraw/zinc/56/04/01/372560401.db2.gz JWAOMCURABPOFM-AVPPRXQKSA-N 0 3 247.235 3.427 20 0 BGADHN C[C@H](N[C@@H]1C[C@H]1C(F)(F)F)c1ccc(F)cc1 ZINC000631756254 372559939 /nfs/dbraw/zinc/55/99/39/372559939.db2.gz JWAOMCURABPOFM-WHGOUJPWSA-N 0 3 247.235 3.427 20 0 BGADHN C[C@@H](N[C@@H]1C[C@H]1C(F)(F)F)c1cccs1 ZINC000631756550 372560143 /nfs/dbraw/zinc/56/01/43/372560143.db2.gz NQQMAFQPEIJVRC-BWZBUEFSSA-N 0 3 235.274 3.350 20 0 BGADHN C[C@H](N[C@@H]1C[C@H]1C(F)(F)F)c1cccs1 ZINC000631756551 372560602 /nfs/dbraw/zinc/56/06/02/372560602.db2.gz NQQMAFQPEIJVRC-XLPZGREQSA-N 0 3 235.274 3.350 20 0 BGADHN C[C@@H](N[C@@H]1C[C@H]1C(F)(F)F)c1ccccc1 ZINC000631756895 372561806 /nfs/dbraw/zinc/56/18/06/372561806.db2.gz RGZHTWJNFRVVHW-FBIMIBRVSA-N 0 3 229.245 3.288 20 0 BGADHN C[C@H](N[C@@H]1C[C@H]1C(F)(F)F)c1ccccc1 ZINC000631756896 372561610 /nfs/dbraw/zinc/56/16/10/372561610.db2.gz RGZHTWJNFRVVHW-JMJZKYOTSA-N 0 3 229.245 3.288 20 0 BGADHN FC(F)(F)[C@@H]1C[C@H]1N[C@H]1CCc2ccccc21 ZINC000631757176 372561831 /nfs/dbraw/zinc/56/18/31/372561831.db2.gz WBERKEFYQFBBFK-GRYCIOLGSA-N 0 3 241.256 3.214 20 0 BGADHN FC(F)(F)[C@@H]1C[C@H]1N[C@@H]1CCc2ccccc21 ZINC000631757177 372561501 /nfs/dbraw/zinc/56/15/01/372561501.db2.gz WBERKEFYQFBBFK-IJLUTSLNSA-N 0 3 241.256 3.214 20 0 BGADHN C[C@@H](Cc1cccs1)N[C@@H]1C[C@H]1C(F)(F)F ZINC000631757181 372562160 /nfs/dbraw/zinc/56/21/60/372562160.db2.gz WCMLNKPLHCKFHL-FXBDTBDDSA-N 0 3 249.301 3.220 20 0 BGADHN C[C@H](Cc1cccs1)N[C@@H]1C[C@H]1C(F)(F)F ZINC000631757182 372561729 /nfs/dbraw/zinc/56/17/29/372561729.db2.gz WCMLNKPLHCKFHL-SZEHBUNVSA-N 0 3 249.301 3.220 20 0 BGADHN CC[C@@H](C)N[C@H](CF)c1ccc(F)cc1 ZINC000631795062 372579972 /nfs/dbraw/zinc/57/99/72/372579972.db2.gz FAZMSAOKLGUBHG-BXKDBHETSA-N 0 3 213.271 3.224 20 0 BGADHN CC[C@H](C)N[C@@H](CF)c1ccc(F)cc1 ZINC000631795063 372579985 /nfs/dbraw/zinc/57/99/85/372579985.db2.gz FAZMSAOKLGUBHG-CABZTGNLSA-N 0 3 213.271 3.224 20 0 BGADHN CC[C@H](C)N[C@H](CF)c1ccc(F)cc1 ZINC000631795064 372580625 /nfs/dbraw/zinc/58/06/25/372580625.db2.gz FAZMSAOKLGUBHG-JOYOIKCWSA-N 0 3 213.271 3.224 20 0 BGADHN CC[C@@H](C)N[C@@H](CF)c1ccc(F)cc1 ZINC000631795065 372580291 /nfs/dbraw/zinc/58/02/91/372580291.db2.gz FAZMSAOKLGUBHG-SKDRFNHKSA-N 0 3 213.271 3.224 20 0 BGADHN CC(C)[C@H](C)N[C@@H](CF)c1ccc(F)cc1 ZINC000631795151 372580642 /nfs/dbraw/zinc/58/06/42/372580642.db2.gz GTRSJTWCNDSWFE-GWCFXTLKSA-N 0 3 227.298 3.470 20 0 BGADHN CC(C)[C@H](C)N[C@H](CF)c1ccc(F)cc1 ZINC000631795152 372580558 /nfs/dbraw/zinc/58/05/58/372580558.db2.gz GTRSJTWCNDSWFE-GXFFZTMASA-N 0 3 227.298 3.470 20 0 BGADHN CC(C)[C@@H](C)N[C@@H](CF)c1ccc(F)cc1 ZINC000631795153 372580179 /nfs/dbraw/zinc/58/01/79/372580179.db2.gz GTRSJTWCNDSWFE-MFKMUULPSA-N 0 3 227.298 3.470 20 0 BGADHN CC(C)[C@@H](C)N[C@H](CF)c1ccc(F)cc1 ZINC000631795154 372579457 /nfs/dbraw/zinc/57/94/57/372579457.db2.gz GTRSJTWCNDSWFE-ZWNOBZJWSA-N 0 3 227.298 3.470 20 0 BGADHN FC[C@@H](NC1CCCC1)c1ccc(F)cc1 ZINC000631796728 372580634 /nfs/dbraw/zinc/58/06/34/372580634.db2.gz YXJGMUMLCABJOJ-CYBMUJFWSA-N 0 3 225.282 3.369 20 0 BGADHN FC[C@H](NC1CCCC1)c1ccc(F)cc1 ZINC000631796729 372579592 /nfs/dbraw/zinc/57/95/92/372579592.db2.gz YXJGMUMLCABJOJ-ZDUSSCGKSA-N 0 3 225.282 3.369 20 0 BGADHN Cc1sccc1NC(=O)C(C)C(F)(F)F ZINC000634213301 374030674 /nfs/dbraw/zinc/03/06/74/374030674.db2.gz DCNPCMMFOVCEDX-RXMQYKEDSA-N 0 3 237.246 3.193 20 0 BGADHN Cc1sccc1NC(=O)C(C)C(F)(F)F ZINC000634213307 374030873 /nfs/dbraw/zinc/03/08/73/374030873.db2.gz DCNPCMMFOVCEDX-YFKPBYRVSA-N 0 3 237.246 3.193 20 0 BGADHN Cc1cc(NC(=O)C(C)C(F)(F)F)cs1 ZINC000634424913 361948858 /nfs/dbraw/zinc/94/88/58/361948858.db2.gz OTINMJATNFQMDP-LURJTMIESA-N 0 3 237.246 3.193 20 0 BGADHN Cc1cc(NC(=O)C(C)C(F)(F)F)cs1 ZINC000634424914 361948931 /nfs/dbraw/zinc/94/89/31/361948931.db2.gz OTINMJATNFQMDP-ZCFIWIBFSA-N 0 3 237.246 3.193 20 0 BGADHN CN(C)Cc1cccc(NC[C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000634573685 342773796 /nfs/dbraw/zinc/77/37/96/342773796.db2.gz CETSWQUUFVJLAW-QDMKHBRRSA-N 0 3 244.382 3.206 20 0 BGADHN CN(C)Cc1cccc(NCC2=CCCC2)c1 ZINC000634573770 342773714 /nfs/dbraw/zinc/77/37/14/342773714.db2.gz GFPLNQCNUUULAN-UHFFFAOYSA-N 0 3 230.355 3.270 20 0 BGADHN CN(C)Cc1cccc(NCC2CC=CC2)c1 ZINC000634573954 342773356 /nfs/dbraw/zinc/77/33/56/342773356.db2.gz NHBYJBJSFFHTNZ-UHFFFAOYSA-N 0 3 230.355 3.126 20 0 BGADHN CN(C)Cc1cccc(NCCC(F)(F)F)c1 ZINC000634573979 342773231 /nfs/dbraw/zinc/77/32/31/342773231.db2.gz OKMPQBSITOGPJQ-UHFFFAOYSA-N 0 3 246.276 3.113 20 0 BGADHN CN(C)Cc1cccc(NCCCCCF)c1 ZINC000634574127 342774310 /nfs/dbraw/zinc/77/43/10/342774310.db2.gz VLSSHHKDHPETQK-UHFFFAOYSA-N 0 3 238.350 3.300 20 0 BGADHN Cc1cnccc1-n1nc(C2CC2)cc1C1CC1 ZINC000634606177 343001318 /nfs/dbraw/zinc/00/13/18/343001318.db2.gz IWUNTDVGXYWJPX-UHFFFAOYSA-N 0 3 239.322 3.331 20 0 BGADHN Cc1cc(-n2nc(C3CC3)cc2C2CC2)ccn1 ZINC000634619342 343018399 /nfs/dbraw/zinc/01/83/99/343018399.db2.gz WFMKSQIVYKEDFH-UHFFFAOYSA-N 0 3 239.322 3.331 20 0 BGADHN Cc1cc(C)nc(N[C@@H]2CCOC(C)(C)C2)c1 ZINC000634682562 343183773 /nfs/dbraw/zinc/18/37/73/343183773.db2.gz VJAFRVGLWGMACS-GFCCVEGCSA-N 0 3 234.343 3.068 20 0 BGADHN Cc1cc(C)nc(N[C@H]2CCOC(C)(C)C2)c1 ZINC000634682563 343183919 /nfs/dbraw/zinc/18/39/19/343183919.db2.gz VJAFRVGLWGMACS-LBPRGKRZSA-N 0 3 234.343 3.068 20 0 BGADHN Cc1ccc([C@@H](C)NC[C@@H]2CC(C)(C)CO2)o1 ZINC000634686556 343234749 /nfs/dbraw/zinc/23/47/49/343234749.db2.gz MVJRBVZTVIAAQN-NEPJUHHUSA-N 0 3 237.343 3.054 20 0 BGADHN Cc1ccc([C@H](C)NC[C@H]2CC(C)(C)CO2)o1 ZINC000634686557 343234814 /nfs/dbraw/zinc/23/48/14/343234814.db2.gz MVJRBVZTVIAAQN-NWDGAFQWSA-N 0 3 237.343 3.054 20 0 BGADHN Cc1ccc([C@H](C)NC[C@@H]2CC(C)(C)CO2)o1 ZINC000634686558 343234829 /nfs/dbraw/zinc/23/48/29/343234829.db2.gz MVJRBVZTVIAAQN-RYUDHWBXSA-N 0 3 237.343 3.054 20 0 BGADHN Cc1ccc([C@@H](C)NC[C@H]2CC(C)(C)CO2)o1 ZINC000634686559 343234783 /nfs/dbraw/zinc/23/47/83/343234783.db2.gz MVJRBVZTVIAAQN-VXGBXAGGSA-N 0 3 237.343 3.054 20 0 BGADHN C[C@H](NC[C@H]1CC(C)(C)CO1)c1ccsc1 ZINC000634686868 343236210 /nfs/dbraw/zinc/23/62/10/343236210.db2.gz SZBLCUWWHWUPED-CMPLNLGQSA-N 0 3 239.384 3.214 20 0 BGADHN C[C@H](NC[C@@H]1CC(C)(C)CO1)c1ccsc1 ZINC000634686869 343236191 /nfs/dbraw/zinc/23/61/91/343236191.db2.gz SZBLCUWWHWUPED-JQWIXIFHSA-N 0 3 239.384 3.214 20 0 BGADHN C[C@@H](NC[C@@H]1CC(C)(C)CO1)c1ccsc1 ZINC000634686870 343236208 /nfs/dbraw/zinc/23/62/08/343236208.db2.gz SZBLCUWWHWUPED-PWSUYJOCSA-N 0 3 239.384 3.214 20 0 BGADHN C[C@@H](NC[C@H]1CC(C)(C)CO1)c1ccsc1 ZINC000634686871 343236262 /nfs/dbraw/zinc/23/62/62/343236262.db2.gz SZBLCUWWHWUPED-ZYHUDNBSSA-N 0 3 239.384 3.214 20 0 BGADHN CC(C)CCNCc1nc2cc(F)ccc2o1 ZINC000634948912 345125170 /nfs/dbraw/zinc/12/51/70/345125170.db2.gz APTCBHCUYGFCRN-UHFFFAOYSA-N 0 3 236.290 3.103 20 0 BGADHN CCC[C@@H](C)NCc1nc2cc(F)ccc2o1 ZINC000634949215 345125909 /nfs/dbraw/zinc/12/59/09/345125909.db2.gz KSLSSAZJCHWDSL-SECBINFHSA-N 0 3 236.290 3.245 20 0 BGADHN CCC[C@H](C)NCc1nc2cc(F)ccc2o1 ZINC000634949216 345126125 /nfs/dbraw/zinc/12/61/25/345126125.db2.gz KSLSSAZJCHWDSL-VIFPVBQESA-N 0 3 236.290 3.245 20 0 BGADHN CCCCCNCc1nc2cc(F)ccc2o1 ZINC000634949284 345125968 /nfs/dbraw/zinc/12/59/68/345125968.db2.gz MUXBZPDUTVRSIQ-UHFFFAOYSA-N 0 3 236.290 3.247 20 0 BGADHN Fc1ccc2oc(CNC3CCCCC3)nc2c1 ZINC000634949322 345126087 /nfs/dbraw/zinc/12/60/87/345126087.db2.gz NPGMAAYNTHHEOH-UHFFFAOYSA-N 0 3 248.301 3.389 20 0 BGADHN Fc1ccc2oc(CNCC3CCCC3)nc2c1 ZINC000634950844 345127485 /nfs/dbraw/zinc/12/74/85/345127485.db2.gz FJYQPMPXYHNEOI-UHFFFAOYSA-N 0 3 248.301 3.247 20 0 BGADHN C[C@H](CNCc1nc2cc(F)ccc2o1)C1CC1 ZINC000634955858 345134122 /nfs/dbraw/zinc/13/41/22/345134122.db2.gz ROEWPQMBCPIRPL-SECBINFHSA-N 0 3 248.301 3.103 20 0 BGADHN C[C@@H](CNCc1nc2cc(F)ccc2o1)C1CC1 ZINC000634955859 345133872 /nfs/dbraw/zinc/13/38/72/345133872.db2.gz ROEWPQMBCPIRPL-VIFPVBQESA-N 0 3 248.301 3.103 20 0 BGADHN CC(C)(C)CNCc1nc2cc(F)ccc2o1 ZINC000634955903 345133805 /nfs/dbraw/zinc/13/38/05/345133805.db2.gz SYTXBDXTWIRYAT-UHFFFAOYSA-N 0 3 236.290 3.103 20 0 BGADHN CC1(NCc2nc3cc(F)ccc3o2)CCCC1 ZINC000634959206 345133204 /nfs/dbraw/zinc/13/32/04/345133204.db2.gz KRMUTMMYVCJZJK-UHFFFAOYSA-N 0 3 248.301 3.389 20 0 BGADHN CC1(C)C[C@@H]1CNCc1nc2cc(F)ccc2o1 ZINC000634960961 345135679 /nfs/dbraw/zinc/13/56/79/345135679.db2.gz HCFBJPFFCYPJLR-SECBINFHSA-N 0 3 248.301 3.103 20 0 BGADHN CC1(C)C[C@H]1CNCc1nc2cc(F)ccc2o1 ZINC000634960962 345135751 /nfs/dbraw/zinc/13/57/51/345135751.db2.gz HCFBJPFFCYPJLR-VIFPVBQESA-N 0 3 248.301 3.103 20 0 BGADHN Fc1ccc2oc(CNCCCC3CC3)nc2c1 ZINC000634963331 345137475 /nfs/dbraw/zinc/13/74/75/345137475.db2.gz PWWMPEVYVNMWCK-UHFFFAOYSA-N 0 3 248.301 3.247 20 0 BGADHN Fc1ccc2oc(CN[C@@H]3CC=CCC3)nc2c1 ZINC000634963580 345137806 /nfs/dbraw/zinc/13/78/06/345137806.db2.gz XLMOEYUHBWPJNN-LLVKDONJSA-N 0 3 246.285 3.165 20 0 BGADHN Fc1ccc2oc(CN[C@H]3CC=CCC3)nc2c1 ZINC000634963581 345137913 /nfs/dbraw/zinc/13/79/13/345137913.db2.gz XLMOEYUHBWPJNN-NSHDSACASA-N 0 3 246.285 3.165 20 0 BGADHN CCC1(CNCc2nc3cc(F)ccc3o2)CC1 ZINC000634966881 345140216 /nfs/dbraw/zinc/14/02/16/345140216.db2.gz ANKAXVWWKNBDIO-UHFFFAOYSA-N 0 3 248.301 3.247 20 0 BGADHN CC1(CNCc2nc3cc(F)ccc3o2)CCC1 ZINC000634967498 345142800 /nfs/dbraw/zinc/14/28/00/345142800.db2.gz PTLUUAJOHWTQRA-UHFFFAOYSA-N 0 3 248.301 3.247 20 0 BGADHN CCC1(NCc2nc3cc(F)ccc3o2)CCC1 ZINC000634967894 345143495 /nfs/dbraw/zinc/14/34/95/345143495.db2.gz ZLCWUBKVKSIWNC-UHFFFAOYSA-N 0 3 248.301 3.389 20 0 BGADHN C[C@@H](NCc1nc2cc(F)ccc2o1)C1CCC1 ZINC000634973728 345152503 /nfs/dbraw/zinc/15/25/03/345152503.db2.gz JJONWVOLAADKLE-SECBINFHSA-N 0 3 248.301 3.245 20 0 BGADHN C[C@H](NCc1nc2cc(F)ccc2o1)C1CCC1 ZINC000634973729 345152715 /nfs/dbraw/zinc/15/27/15/345152715.db2.gz JJONWVOLAADKLE-VIFPVBQESA-N 0 3 248.301 3.245 20 0 BGADHN CC(C)(CNCc1ccon1)C1CCCCC1 ZINC000634973899 345152449 /nfs/dbraw/zinc/15/24/49/345152449.db2.gz NXGNYBQCKYBOTL-UHFFFAOYSA-N 0 3 236.359 3.371 20 0 BGADHN CCC1(CNCc2ccon2)CCCCC1 ZINC000634975547 345150906 /nfs/dbraw/zinc/15/09/06/345150906.db2.gz AYSJAKPUSXKNFN-UHFFFAOYSA-N 0 3 222.332 3.125 20 0 BGADHN CC(C)=CCCNCc1nc2cc(F)ccc2o1 ZINC000634978048 345154381 /nfs/dbraw/zinc/15/43/81/345154381.db2.gz RLEOKQUXOTXUFQ-UHFFFAOYSA-N 0 3 248.301 3.413 20 0 BGADHN CC1(CCNCc2nc3cc(F)ccc3o2)CC1 ZINC000634978391 345156160 /nfs/dbraw/zinc/15/61/60/345156160.db2.gz AXKIBANOFKIACZ-UHFFFAOYSA-N 0 3 248.301 3.247 20 0 BGADHN CC[C@@H]1C[C@H]1CNCc1nc2cc(F)ccc2o1 ZINC000634982457 345163331 /nfs/dbraw/zinc/16/33/31/345163331.db2.gz MBMCKGPWLJAIJR-ZJUUUORDSA-N 0 3 248.301 3.103 20 0 BGADHN CC1(NCc2nc3cc(F)ccc3o2)CC=CC1 ZINC000634985164 345164447 /nfs/dbraw/zinc/16/44/47/345164447.db2.gz MMZMKOZOVDIIJJ-UHFFFAOYSA-N 0 3 246.285 3.165 20 0 BGADHN c1cc(CN[C@H](C2CCC2)C2CCCC2)no1 ZINC000634985537 345165333 /nfs/dbraw/zinc/16/53/33/345165333.db2.gz WSXWHJCHGDXOKJ-AWEZNQCLSA-N 0 3 234.343 3.123 20 0 BGADHN c1cc(CN[C@@H](C2CCC2)C2CCCC2)no1 ZINC000634985538 345165425 /nfs/dbraw/zinc/16/54/25/345165425.db2.gz WSXWHJCHGDXOKJ-CQSZACIVSA-N 0 3 234.343 3.123 20 0 BGADHN CC1CC(CNCc2nc3cc(F)ccc3o2)C1 ZINC000634987080 345173370 /nfs/dbraw/zinc/17/33/70/345173370.db2.gz LNHPMKVUFPIKSI-UHFFFAOYSA-N 0 3 248.301 3.103 20 0 BGADHN Fc1ccc2oc(CNCC3CC=CC3)nc2c1 ZINC000634987388 345169627 /nfs/dbraw/zinc/16/96/27/345169627.db2.gz UFRIHLURQDCQGC-UHFFFAOYSA-N 0 3 246.285 3.023 20 0 BGADHN Clc1ccc(CN2C3CCC2CC3)cc1 ZINC000635899333 346105993 /nfs/dbraw/zinc/10/59/93/346105993.db2.gz KXDMZUXCDFYEDG-UHFFFAOYSA-N 0 3 221.731 3.467 20 0 BGADHN Clc1ccccc1CN1C2CCC1CC2 ZINC000635899748 346105868 /nfs/dbraw/zinc/10/58/68/346105868.db2.gz QFIYASHLQXJJID-UHFFFAOYSA-N 0 3 221.731 3.467 20 0 BGADHN COc1ccc(C)cc1CN1C2CCC1CC2 ZINC000635902337 346102839 /nfs/dbraw/zinc/10/28/39/346102839.db2.gz LMSOWLMQELVFGK-UHFFFAOYSA-N 0 3 231.339 3.130 20 0 BGADHN CNCc1ccccc1NC(=O)CC(C)=C(C)C ZINC000637808351 386372325 /nfs/dbraw/zinc/37/23/25/386372325.db2.gz CBCVABWJDMTBHM-UHFFFAOYSA-N 0 3 246.354 3.091 20 0 BGADHN CNCc1cccc(NC(=O)CC(C)=C(C)C)c1 ZINC000637809281 351646225 /nfs/dbraw/zinc/64/62/25/351646225.db2.gz OSBIPRIVDQLTFY-UHFFFAOYSA-N 0 3 246.354 3.091 20 0 BGADHN CCCN(CC)Cc1ccc(C(F)F)nc1 ZINC000637810389 351650380 /nfs/dbraw/zinc/65/03/80/351650380.db2.gz LCPMSOXBDGJHFH-UHFFFAOYSA-N 0 3 228.286 3.251 20 0 BGADHN c1ccc([C@@H]2CCN2CCC[C@@H]2CCO2)cc1 ZINC000637812962 351649401 /nfs/dbraw/zinc/64/94/01/351649401.db2.gz GPIXIQYIXHZPAD-CABCVRRESA-N 0 3 231.339 3.003 20 0 BGADHN c1ccc([C@@H]2CCN2CCC[C@H]2CCO2)cc1 ZINC000637812963 351649573 /nfs/dbraw/zinc/64/95/73/351649573.db2.gz GPIXIQYIXHZPAD-GJZGRUSLSA-N 0 3 231.339 3.003 20 0 BGADHN c1ccc([C@H]2CCN2CCC[C@@H]2CCO2)cc1 ZINC000637812964 351649386 /nfs/dbraw/zinc/64/93/86/351649386.db2.gz GPIXIQYIXHZPAD-HUUCEWRRSA-N 0 3 231.339 3.003 20 0 BGADHN c1ccc([C@H]2CCN2CCC[C@H]2CCO2)cc1 ZINC000637812965 351649220 /nfs/dbraw/zinc/64/92/20/351649220.db2.gz GPIXIQYIXHZPAD-LSDHHAIUSA-N 0 3 231.339 3.003 20 0 BGADHN CCC[C@H](CN1CC[C@H]1c1ccccc1)OC ZINC000637816387 351655693 /nfs/dbraw/zinc/65/56/93/351655693.db2.gz ZTINGWBNNPDUBO-CABCVRRESA-N 0 3 233.355 3.249 20 0 BGADHN CCC[C@@H](CN1CC[C@H]1c1ccccc1)OC ZINC000637816388 351655909 /nfs/dbraw/zinc/65/59/09/351655909.db2.gz ZTINGWBNNPDUBO-GJZGRUSLSA-N 0 3 233.355 3.249 20 0 BGADHN CCC[C@H](CN1CC[C@@H]1c1ccccc1)OC ZINC000637816389 351656187 /nfs/dbraw/zinc/65/61/87/351656187.db2.gz ZTINGWBNNPDUBO-HUUCEWRRSA-N 0 3 233.355 3.249 20 0 BGADHN CCC[C@@H](CN1CC[C@@H]1c1ccccc1)OC ZINC000637816390 351655625 /nfs/dbraw/zinc/65/56/25/351655625.db2.gz ZTINGWBNNPDUBO-LSDHHAIUSA-N 0 3 233.355 3.249 20 0 BGADHN CC(C)[C@H](C)N(Cc1ccns1)C1CC1 ZINC000637827953 351670682 /nfs/dbraw/zinc/67/06/82/351670682.db2.gz CBDXNHZABRVHLL-JTQLQIEISA-N 0 3 224.373 3.152 20 0 BGADHN CC(C)[C@@H](C)N(Cc1ccns1)C1CC1 ZINC000637827954 351670650 /nfs/dbraw/zinc/67/06/50/351670650.db2.gz CBDXNHZABRVHLL-SNVBAGLBSA-N 0 3 224.373 3.152 20 0 BGADHN CCN(CC)Cc1cc2ccccc2n1C ZINC000637828012 351670672 /nfs/dbraw/zinc/67/06/72/351670672.db2.gz NCFFFWQZGWCTDY-UHFFFAOYSA-N 0 3 216.328 3.020 20 0 BGADHN c1cc(CN2CCCCCC2)n(CC2CCC2)n1 ZINC000637829387 351678291 /nfs/dbraw/zinc/67/82/91/351678291.db2.gz OIWPTAMWWLMQPQ-UHFFFAOYSA-N 0 3 247.386 3.059 20 0 BGADHN FC(F)c1ccc(CN2CCCCCC2)cn1 ZINC000637829669 351677862 /nfs/dbraw/zinc/67/78/62/351677862.db2.gz TUFVJLANKDLZFC-UHFFFAOYSA-N 0 3 240.297 3.395 20 0 BGADHN CCN(Cc1ccns1)C1CCCCC1 ZINC000637830322 351679925 /nfs/dbraw/zinc/67/99/25/351679925.db2.gz UVIQFAHQOKFCRB-UHFFFAOYSA-N 0 3 224.373 3.298 20 0 BGADHN Cc1cc(CN(C)C2CCCCC2)sn1 ZINC000637830801 351676874 /nfs/dbraw/zinc/67/68/74/351676874.db2.gz GHCGWZGTXZXZLQ-UHFFFAOYSA-N 0 3 224.373 3.216 20 0 BGADHN COc1cncc(CN(C)C2CCCCC2)c1C ZINC000637831025 351683804 /nfs/dbraw/zinc/68/38/04/351683804.db2.gz NRXRUAUIWTVVAH-UHFFFAOYSA-N 0 3 248.370 3.163 20 0 BGADHN CC[C@@H]1CCCCN1[C@@H](C)c1cnc(C)nc1C ZINC000637831155 351684901 /nfs/dbraw/zinc/68/49/01/351684901.db2.gz SYAFFDBFNYWRLE-GXTWGEPZSA-N 0 3 247.386 3.419 20 0 BGADHN CC[C@H]1CCCCN1[C@@H](C)c1cnc(C)nc1C ZINC000637831156 351684953 /nfs/dbraw/zinc/68/49/53/351684953.db2.gz SYAFFDBFNYWRLE-JSGCOSHPSA-N 0 3 247.386 3.419 20 0 BGADHN CC[C@H]1CCCCN1[C@H](C)c1cnc(C)nc1C ZINC000637831157 351684854 /nfs/dbraw/zinc/68/48/54/351684854.db2.gz SYAFFDBFNYWRLE-OCCSQVGLSA-N 0 3 247.386 3.419 20 0 BGADHN CC[C@@H]1CCCCN1[C@H](C)c1cnc(C)nc1C ZINC000637831158 351685074 /nfs/dbraw/zinc/68/50/74/351685074.db2.gz SYAFFDBFNYWRLE-TZMCWYRMSA-N 0 3 247.386 3.419 20 0 BGADHN CN([C@H](c1nccn1C)C1CC1)C1CCCCC1 ZINC000637831208 351684925 /nfs/dbraw/zinc/68/49/25/351684925.db2.gz VBOHTRZSMMJNKV-AWEZNQCLSA-N 0 3 247.386 3.136 20 0 BGADHN CN([C@@H](c1nccn1C)C1CC1)C1CCCCC1 ZINC000637831209 351684845 /nfs/dbraw/zinc/68/48/45/351684845.db2.gz VBOHTRZSMMJNKV-CQSZACIVSA-N 0 3 247.386 3.136 20 0 BGADHN C[C@H]1CCCN(Cc2ccc(C(F)F)nc2)C1 ZINC000637831260 351685028 /nfs/dbraw/zinc/68/50/28/351685028.db2.gz BAIBWTPBGXUCFD-JTQLQIEISA-N 0 3 240.297 3.251 20 0 BGADHN C[C@@H]1CCCN(Cc2ccc(C(F)F)nc2)C1 ZINC000637831261 351684832 /nfs/dbraw/zinc/68/48/32/351684832.db2.gz BAIBWTPBGXUCFD-SNVBAGLBSA-N 0 3 240.297 3.251 20 0 BGADHN CC[C@H]1CCCCN1[C@H](c1nccn1C)C1CC1 ZINC000637831346 351684771 /nfs/dbraw/zinc/68/47/71/351684771.db2.gz WREIHDZFDULUJJ-KBPBESRZSA-N 0 3 247.386 3.136 20 0 BGADHN CC[C@@H]1CCCCN1[C@H](c1nccn1C)C1CC1 ZINC000637831347 351684753 /nfs/dbraw/zinc/68/47/53/351684753.db2.gz WREIHDZFDULUJJ-KGLIPLIRSA-N 0 3 247.386 3.136 20 0 BGADHN CC[C@H]1CCCCN1[C@@H](c1nccn1C)C1CC1 ZINC000637831348 351684815 /nfs/dbraw/zinc/68/48/15/351684815.db2.gz WREIHDZFDULUJJ-UONOGXRCSA-N 0 3 247.386 3.136 20 0 BGADHN CC[C@@H]1CCCCN1[C@@H](c1nccn1C)C1CC1 ZINC000637831349 351684807 /nfs/dbraw/zinc/68/48/07/351684807.db2.gz WREIHDZFDULUJJ-ZIAGYGMSSA-N 0 3 247.386 3.136 20 0 BGADHN CC[C@@H]1CCCCN1Cc1cc(C)ns1 ZINC000637831467 386413180 /nfs/dbraw/zinc/41/31/80/386413180.db2.gz ZAOKCXBIMUROHV-LLVKDONJSA-N 0 3 224.373 3.216 20 0 BGADHN CC[C@H]1CCCCN1Cc1cc(C)ns1 ZINC000637831468 386414506 /nfs/dbraw/zinc/41/45/06/386414506.db2.gz ZAOKCXBIMUROHV-NSHDSACASA-N 0 3 224.373 3.216 20 0 BGADHN CCCN(CCC)Cc1cncc(OC)c1C ZINC000637831577 351685552 /nfs/dbraw/zinc/68/55/52/351685552.db2.gz ABAVLNFPSFIUEJ-UHFFFAOYSA-N 0 3 236.359 3.021 20 0 BGADHN CCCN(CCC)Cc1cc(C)ns1 ZINC000637832186 351680981 /nfs/dbraw/zinc/68/09/81/351680981.db2.gz FVKBJUVIQKFUMU-UHFFFAOYSA-N 0 3 212.362 3.074 20 0 BGADHN CCCCN(C)Cc1ccc(C(F)F)nc1 ZINC000637834729 351689032 /nfs/dbraw/zinc/68/90/32/351689032.db2.gz GINXAGYRUWEYEW-UHFFFAOYSA-N 0 3 228.286 3.251 20 0 BGADHN CCCCN(CC)Cc1cncc(OC)c1C ZINC000637834838 351689237 /nfs/dbraw/zinc/68/92/37/351689237.db2.gz AHYSDXZRXYLYIC-UHFFFAOYSA-N 0 3 236.359 3.021 20 0 BGADHN CCCCN(CC)[C@H](C)c1cnc(C)nc1C ZINC000637836172 351687271 /nfs/dbraw/zinc/68/72/71/351687271.db2.gz NBMCEBQCXGTAQO-GFCCVEGCSA-N 0 3 235.375 3.276 20 0 BGADHN CCCCN(CC)[C@@H](C)c1cnc(C)nc1C ZINC000637836174 351687660 /nfs/dbraw/zinc/68/76/60/351687660.db2.gz NBMCEBQCXGTAQO-LBPRGKRZSA-N 0 3 235.375 3.276 20 0 BGADHN C[C@H]1CCCCN1Cc1ccc(C(F)F)nc1 ZINC000637836422 351687617 /nfs/dbraw/zinc/68/76/17/351687617.db2.gz OVOPADNHCYVYDA-JTQLQIEISA-N 0 3 240.297 3.394 20 0 BGADHN C[C@@H]1CCCCN1Cc1ccc(C(F)F)nc1 ZINC000637836424 351687506 /nfs/dbraw/zinc/68/75/06/351687506.db2.gz OVOPADNHCYVYDA-SNVBAGLBSA-N 0 3 240.297 3.394 20 0 BGADHN Cc1ncc([C@@H](C)N2CCCC[C@@H]2C)c(C)n1 ZINC000637836717 351685742 /nfs/dbraw/zinc/68/57/42/351685742.db2.gz RKJIGRWVAGQNGR-CMPLNLGQSA-N 0 3 233.359 3.029 20 0 BGADHN Cc1ncc([C@H](C)N2CCCC[C@@H]2C)c(C)n1 ZINC000637836718 351685544 /nfs/dbraw/zinc/68/55/44/351685544.db2.gz RKJIGRWVAGQNGR-JQWIXIFHSA-N 0 3 233.359 3.029 20 0 BGADHN Cc1ncc([C@H](C)N2CCCC[C@H]2C)c(C)n1 ZINC000637836719 351685515 /nfs/dbraw/zinc/68/55/15/351685515.db2.gz RKJIGRWVAGQNGR-PWSUYJOCSA-N 0 3 233.359 3.029 20 0 BGADHN Cc1ncc([C@@H](C)N2CCCC[C@H]2C)c(C)n1 ZINC000637836720 351685842 /nfs/dbraw/zinc/68/58/42/351685842.db2.gz RKJIGRWVAGQNGR-ZYHUDNBSSA-N 0 3 233.359 3.029 20 0 BGADHN CCCCN(CC)Cc1cc(C)ns1 ZINC000637836939 351690309 /nfs/dbraw/zinc/69/03/09/351690309.db2.gz VGKRZXMIERZUHM-UHFFFAOYSA-N 0 3 212.362 3.074 20 0 BGADHN CC1CCN(Cc2ccc(C(F)F)nc2)CC1 ZINC000637837205 351691209 /nfs/dbraw/zinc/69/12/09/351691209.db2.gz ZGKWNFNZWABZEH-UHFFFAOYSA-N 0 3 240.297 3.251 20 0 BGADHN CC(C)N(C)Cc1cc2ccccc2n1C ZINC000637838434 351693688 /nfs/dbraw/zinc/69/36/88/351693688.db2.gz WPXAIUPXBYKPSS-UHFFFAOYSA-N 0 3 216.328 3.019 20 0 BGADHN Cc1ccc(CN(C)CC2CCSCC2)o1 ZINC000637853683 351709458 /nfs/dbraw/zinc/70/94/58/351709458.db2.gz REAOMDBZFOTUFZ-UHFFFAOYSA-N 0 3 239.384 3.163 20 0 BGADHN CC1CCC(N(C)Cc2ccns2)CC1 ZINC000637870563 351736482 /nfs/dbraw/zinc/73/64/82/351736482.db2.gz BYJFLPIEYKSGAZ-UHFFFAOYSA-N 0 3 224.373 3.154 20 0 BGADHN CN(Cc1ccc(C(F)F)nc1)C1CCCC1 ZINC000637877867 351744208 /nfs/dbraw/zinc/74/42/08/351744208.db2.gz CENCXMNRPQFBHY-UHFFFAOYSA-N 0 3 240.297 3.394 20 0 BGADHN CN(Cc1ccnn1CC1CCC1)C1CCCC1 ZINC000637878946 351745484 /nfs/dbraw/zinc/74/54/84/351745484.db2.gz PWCYKNJEEFQLKP-UHFFFAOYSA-N 0 3 247.386 3.058 20 0 BGADHN CN(Cc1ccns1)C1CCCCCC1 ZINC000637879210 351745133 /nfs/dbraw/zinc/74/51/33/351745133.db2.gz UBGSAJYZHBTNNQ-UHFFFAOYSA-N 0 3 224.373 3.298 20 0 BGADHN Cc1ncc([C@@H](C)N(C)C2CCCC2)c(C)n1 ZINC000637879512 351746384 /nfs/dbraw/zinc/74/63/84/351746384.db2.gz XOGCUOKYVSUPKF-LLVKDONJSA-N 0 3 233.359 3.029 20 0 BGADHN Cc1ncc([C@H](C)N(C)C2CCCC2)c(C)n1 ZINC000637879513 351746512 /nfs/dbraw/zinc/74/65/12/351746512.db2.gz XOGCUOKYVSUPKF-NSHDSACASA-N 0 3 233.359 3.029 20 0 BGADHN COc1cccc(OC)c1CN(C)C1CCCC1 ZINC000637879727 351744440 /nfs/dbraw/zinc/74/44/40/351744440.db2.gz ZVGXQPXTVMSUBJ-UHFFFAOYSA-N 0 3 249.354 3.078 20 0 BGADHN Cn1c(CN2C3CCC2CC3)cc2ccccc21 ZINC000637884577 351751458 /nfs/dbraw/zinc/75/14/58/351751458.db2.gz DYAFGMHCTZXRRR-UHFFFAOYSA-N 0 3 240.350 3.305 20 0 BGADHN FC(F)c1ccc(CN2C3CCC2CC3)cn1 ZINC000637887402 351754777 /nfs/dbraw/zinc/75/47/77/351754777.db2.gz YWVBGBIHBWZCCW-UHFFFAOYSA-N 0 3 238.281 3.146 20 0 BGADHN CN(Cc1ccns1)CC1CCCCC1 ZINC000637887970 351756221 /nfs/dbraw/zinc/75/62/21/351756221.db2.gz BYXOTZJHBHFDIC-UHFFFAOYSA-N 0 3 224.373 3.155 20 0 BGADHN CCCN(C)Cc1cc2ccccc2n1C ZINC000637891275 351763611 /nfs/dbraw/zinc/76/36/11/351763611.db2.gz FLJRCUIYOGFCAX-UHFFFAOYSA-N 0 3 216.328 3.020 20 0 BGADHN CC(C)CN(C)Cc1ccc(C(F)F)nc1 ZINC000637892963 351762566 /nfs/dbraw/zinc/76/25/66/351762566.db2.gz FDLQIGQBOFXKIO-UHFFFAOYSA-N 0 3 228.286 3.107 20 0 BGADHN CC[C@@](C)(CN(Cc1ccco1)C(C)C)OC ZINC000637894399 351766477 /nfs/dbraw/zinc/76/64/77/351766477.db2.gz CEVJGSABLGCIEI-AWEZNQCLSA-N 0 3 239.359 3.305 20 0 BGADHN CC[C@](C)(CN(Cc1ccco1)C(C)C)OC ZINC000637894400 351766543 /nfs/dbraw/zinc/76/65/43/351766543.db2.gz CEVJGSABLGCIEI-CQSZACIVSA-N 0 3 239.359 3.305 20 0 BGADHN Cc1ccc(CN(CCC[C@H]2CCO2)C2CC2)o1 ZINC000637895206 351767245 /nfs/dbraw/zinc/76/72/45/351767245.db2.gz COJSAERYESRUSH-AWEZNQCLSA-N 0 3 249.354 3.122 20 0 BGADHN Cc1ccc(CN(CCC[C@@H]2CCO2)C2CC2)o1 ZINC000637895338 351767689 /nfs/dbraw/zinc/76/76/89/351767689.db2.gz COJSAERYESRUSH-CQSZACIVSA-N 0 3 249.354 3.122 20 0 BGADHN Cc1cc(CN(C2CC2)C2CCCC2)sn1 ZINC000637899910 351772267 /nfs/dbraw/zinc/77/22/67/351772267.db2.gz NZKMQMGCZQENJP-UHFFFAOYSA-N 0 3 236.384 3.359 20 0 BGADHN c1cc(CN(C2CC2)C2CCCC2)sn1 ZINC000637900100 351772030 /nfs/dbraw/zinc/77/20/30/351772030.db2.gz RCTNXWJRBCFIQK-UHFFFAOYSA-N 0 3 222.357 3.050 20 0 BGADHN CCC(CC)N(Cc1ccns1)C1CC1 ZINC000637900180 351771997 /nfs/dbraw/zinc/77/19/97/351771997.db2.gz YCOIHXFHSRPMHB-UHFFFAOYSA-N 0 3 224.373 3.296 20 0 BGADHN Cc1scc(CN(C)[C@@H]2CCSC2)c1C ZINC000637900902 351770446 /nfs/dbraw/zinc/77/04/46/351770446.db2.gz GXEMHSGNHNXVTG-GFCCVEGCSA-N 0 3 241.425 3.302 20 0 BGADHN Cc1scc(CN(C)[C@H]2CCSC2)c1C ZINC000637900903 351770578 /nfs/dbraw/zinc/77/05/78/351770578.db2.gz GXEMHSGNHNXVTG-LBPRGKRZSA-N 0 3 241.425 3.302 20 0 BGADHN Cc1ccc(CN(C)[C@@H]2CCSC2)c(F)c1 ZINC000637901077 351770631 /nfs/dbraw/zinc/77/06/31/351770631.db2.gz IEEYNEIKXHXDJW-GFCCVEGCSA-N 0 3 239.359 3.071 20 0 BGADHN Cc1ccc(CN(C)[C@H]2CCSC2)c(F)c1 ZINC000637901078 351770421 /nfs/dbraw/zinc/77/04/21/351770421.db2.gz IEEYNEIKXHXDJW-LBPRGKRZSA-N 0 3 239.359 3.071 20 0 BGADHN CC(C)CCN(C)Cc1ccc(C(F)F)nc1 ZINC000637901155 351771219 /nfs/dbraw/zinc/77/12/19/351771219.db2.gz JOYRFGGWYABBNC-UHFFFAOYSA-N 0 3 242.313 3.497 20 0 BGADHN C[C@@H]1CCC[C@@H](N(C)Cc2ccns2)C1 ZINC000637901311 351771467 /nfs/dbraw/zinc/77/14/67/351771467.db2.gz KQIDXDWNMNJHJT-GHMZBOCLSA-N 0 3 224.373 3.154 20 0 BGADHN C[C@@H]1CCC[C@H](N(C)Cc2ccns2)C1 ZINC000637901313 351771042 /nfs/dbraw/zinc/77/10/42/351771042.db2.gz KQIDXDWNMNJHJT-MNOVXSKESA-N 0 3 224.373 3.154 20 0 BGADHN C[C@H]1CCC[C@H](N(C)Cc2ccns2)C1 ZINC000637901314 351771144 /nfs/dbraw/zinc/77/11/44/351771144.db2.gz KQIDXDWNMNJHJT-QWRGUYRKSA-N 0 3 224.373 3.154 20 0 BGADHN C[C@H]1CCC[C@@H](N(C)Cc2ccns2)C1 ZINC000637901315 351771532 /nfs/dbraw/zinc/77/15/32/351771532.db2.gz KQIDXDWNMNJHJT-WDEREUQCSA-N 0 3 224.373 3.154 20 0 BGADHN CCN(Cc1ccc(C(F)F)nc1)C1CC1 ZINC000637903307 351775660 /nfs/dbraw/zinc/77/56/60/351775660.db2.gz ACPWSRYVSGIGDS-UHFFFAOYSA-N 0 3 226.270 3.004 20 0 BGADHN CO[C@](C)(CN(C)[C@H](C)c1ccco1)C1CC1 ZINC000637903374 351775578 /nfs/dbraw/zinc/77/55/78/351775578.db2.gz PHAYHKKXVGNAHD-BXUZGUMPSA-N 0 3 237.343 3.088 20 0 BGADHN CO[C@@](C)(CN(C)[C@@H](C)c1ccco1)C1CC1 ZINC000637903391 351775405 /nfs/dbraw/zinc/77/54/05/351775405.db2.gz PHAYHKKXVGNAHD-FZMZJTMJSA-N 0 3 237.343 3.088 20 0 BGADHN CO[C@@](C)(CN(C)[C@H](C)c1ccco1)C1CC1 ZINC000637903394 351776441 /nfs/dbraw/zinc/77/64/41/351776441.db2.gz PHAYHKKXVGNAHD-RISCZKNCSA-N 0 3 237.343 3.088 20 0 BGADHN CO[C@](C)(CN(C)[C@@H](C)c1ccco1)C1CC1 ZINC000637903398 351776188 /nfs/dbraw/zinc/77/61/88/351776188.db2.gz PHAYHKKXVGNAHD-SMDDNHRTSA-N 0 3 237.343 3.088 20 0 BGADHN CCCCN([C@H](C)c1cnc(C)nc1C)C1CC1 ZINC000637903738 351773551 /nfs/dbraw/zinc/77/35/51/351773551.db2.gz DKBIGPOEIPOEHR-GFCCVEGCSA-N 0 3 247.386 3.419 20 0 BGADHN CCCCN([C@@H](C)c1cnc(C)nc1C)C1CC1 ZINC000637903743 351773968 /nfs/dbraw/zinc/77/39/68/351773968.db2.gz DKBIGPOEIPOEHR-LBPRGKRZSA-N 0 3 247.386 3.419 20 0 BGADHN CC(C)[C@@H](C)N(C)Cc1ccnn1CC1CCC1 ZINC000637903786 351774108 /nfs/dbraw/zinc/77/41/08/351774108.db2.gz SCSLPBHINFEMQF-CYBMUJFWSA-N 0 3 249.402 3.160 20 0 BGADHN CC(C)[C@H](C)N(C)Cc1ccnn1CC1CCC1 ZINC000637903787 351773939 /nfs/dbraw/zinc/77/39/39/351773939.db2.gz SCSLPBHINFEMQF-ZDUSSCGKSA-N 0 3 249.402 3.160 20 0 BGADHN CC[C@@](C)(CN(C)[C@@H](C)c1ccco1)OC ZINC000637903978 351773930 /nfs/dbraw/zinc/77/39/30/351773930.db2.gz UDEDAZRDESQKPU-AAEUAGOBSA-N 0 3 225.332 3.088 20 0 BGADHN CC[C@](C)(CN(C)[C@H](C)c1ccco1)OC ZINC000637903980 351774033 /nfs/dbraw/zinc/77/40/33/351774033.db2.gz UDEDAZRDESQKPU-DGCLKSJQSA-N 0 3 225.332 3.088 20 0 BGADHN CC[C@](C)(CN(C)[C@@H](C)c1ccco1)OC ZINC000637903983 351774131 /nfs/dbraw/zinc/77/41/31/351774131.db2.gz UDEDAZRDESQKPU-WCQYABFASA-N 0 3 225.332 3.088 20 0 BGADHN CC[C@@](C)(CN(C)[C@H](C)c1ccco1)OC ZINC000637903984 351773546 /nfs/dbraw/zinc/77/35/46/351773546.db2.gz UDEDAZRDESQKPU-YPMHNXCESA-N 0 3 225.332 3.088 20 0 BGADHN CCCCN(Cc1cc(C)ns1)C1CC1 ZINC000637904263 351774041 /nfs/dbraw/zinc/77/40/41/351774041.db2.gz HZRXBFKFSYMYLE-UHFFFAOYSA-N 0 3 224.373 3.216 20 0 BGADHN CCCCN([C@H](c1nccn1C)C1CC1)C1CC1 ZINC000637904734 351777704 /nfs/dbraw/zinc/77/77/04/351777704.db2.gz LBVYPJQGMFTXGM-AWEZNQCLSA-N 0 3 247.386 3.136 20 0 BGADHN CCCCN([C@@H](c1nccn1C)C1CC1)C1CC1 ZINC000637904735 351778170 /nfs/dbraw/zinc/77/81/70/351778170.db2.gz LBVYPJQGMFTXGM-CQSZACIVSA-N 0 3 247.386 3.136 20 0 BGADHN CCCN([C@H](C)c1cnc(C)nc1C)C1CC1 ZINC000637904788 351777684 /nfs/dbraw/zinc/77/76/84/351777684.db2.gz MEJDEKWNFBCJOW-LLVKDONJSA-N 0 3 233.359 3.029 20 0 BGADHN CCCN([C@@H](C)c1cnc(C)nc1C)C1CC1 ZINC000637904790 351777922 /nfs/dbraw/zinc/77/79/22/351777922.db2.gz MEJDEKWNFBCJOW-NSHDSACASA-N 0 3 233.359 3.029 20 0 BGADHN CC[C@H](C)[C@H](CN(C)[C@@H](C)c1ccco1)OC ZINC000637904861 351777616 /nfs/dbraw/zinc/77/76/16/351777616.db2.gz YHBDMPYADZHEIJ-OBJOEFQTSA-N 0 3 239.359 3.334 20 0 BGADHN CC[C@H](C)[C@@H](CN(C)[C@H](C)c1ccco1)OC ZINC000637904862 351777963 /nfs/dbraw/zinc/77/79/63/351777963.db2.gz YHBDMPYADZHEIJ-OUCADQQQSA-N 0 3 239.359 3.334 20 0 BGADHN CC[C@H](C)[C@H](CN(C)[C@H](C)c1ccco1)OC ZINC000637904864 351778130 /nfs/dbraw/zinc/77/81/30/351778130.db2.gz YHBDMPYADZHEIJ-SCRDCRAPSA-N 0 3 239.359 3.334 20 0 BGADHN CC[C@H](C)[C@@H](CN(C)[C@@H](C)c1ccco1)OC ZINC000637904865 351777971 /nfs/dbraw/zinc/77/79/71/351777971.db2.gz YHBDMPYADZHEIJ-SGMGOOAPSA-N 0 3 239.359 3.334 20 0 BGADHN CCC[C@@H](CN(C)[C@H](C)c1ccco1)OC ZINC000637905016 351777591 /nfs/dbraw/zinc/77/75/91/351777591.db2.gz ZJEMTLCRDVWMJV-NEPJUHHUSA-N 0 3 225.332 3.088 20 0 BGADHN CCC[C@H](CN(C)[C@@H](C)c1ccco1)OC ZINC000637905018 351778151 /nfs/dbraw/zinc/77/81/51/351778151.db2.gz ZJEMTLCRDVWMJV-NWDGAFQWSA-N 0 3 225.332 3.088 20 0 BGADHN CCC[C@@H](CN(C)[C@@H](C)c1ccco1)OC ZINC000637905020 351778115 /nfs/dbraw/zinc/77/81/15/351778115.db2.gz ZJEMTLCRDVWMJV-RYUDHWBXSA-N 0 3 225.332 3.088 20 0 BGADHN CCC[C@H](CN(C)[C@H](C)c1ccco1)OC ZINC000637905021 351777626 /nfs/dbraw/zinc/77/76/26/351777626.db2.gz ZJEMTLCRDVWMJV-VXGBXAGGSA-N 0 3 225.332 3.088 20 0 BGADHN CCCN(Cc1ccc(C(F)F)nc1)C1CC1 ZINC000637906116 351779666 /nfs/dbraw/zinc/77/96/66/351779666.db2.gz YHYZGSSGVBQOPF-UHFFFAOYSA-N 0 3 240.297 3.394 20 0 BGADHN CC(C)C[C@H]1CCCN1Cc1ccns1 ZINC000637908732 351782531 /nfs/dbraw/zinc/78/25/31/351782531.db2.gz JLWLHRHRZHTESK-LLVKDONJSA-N 0 3 224.373 3.154 20 0 BGADHN CC(C)C[C@@H]1CCCN1Cc1ccns1 ZINC000637908734 351782323 /nfs/dbraw/zinc/78/23/23/351782323.db2.gz JLWLHRHRZHTESK-NSHDSACASA-N 0 3 224.373 3.154 20 0 BGADHN CCN(Cc1cc(C)ns1)C1CCCC1 ZINC000637908925 351783124 /nfs/dbraw/zinc/78/31/24/351783124.db2.gz CYZIUJWTIQXWPL-UHFFFAOYSA-N 0 3 224.373 3.216 20 0 BGADHN CN(Cc1ccc2ccc(F)c(F)c2n1)C1CC1 ZINC000637909245 351783820 /nfs/dbraw/zinc/78/38/20/351783820.db2.gz CLFUXOJJEVOXTA-UHFFFAOYSA-N 0 3 248.276 3.107 20 0 BGADHN Cc1cc(CN2CCC[C@@H]2C(C)C)sn1 ZINC000637909946 351781394 /nfs/dbraw/zinc/78/13/94/351781394.db2.gz WUTMJGSZWUGVEF-GFCCVEGCSA-N 0 3 224.373 3.072 20 0 BGADHN Cc1cc(CN2CCC[C@H]2C(C)C)sn1 ZINC000637909947 351781509 /nfs/dbraw/zinc/78/15/09/351781509.db2.gz WUTMJGSZWUGVEF-LBPRGKRZSA-N 0 3 224.373 3.072 20 0 BGADHN CCN(CCc1ccccc1)Cc1ccns1 ZINC000637910554 351787123 /nfs/dbraw/zinc/78/71/23/351787123.db2.gz OSYCNSVLLYDKHT-UHFFFAOYSA-N 0 3 246.379 3.208 20 0 BGADHN CCC[C@@H](C)N(C)Cc1cncc(OC)c1C ZINC000637910602 351787408 /nfs/dbraw/zinc/78/74/08/351787408.db2.gz DJCSRGQBMOYDSP-LLVKDONJSA-N 0 3 236.359 3.019 20 0 BGADHN CCC[C@H](C)N(C)Cc1cncc(OC)c1C ZINC000637910603 351787230 /nfs/dbraw/zinc/78/72/30/351787230.db2.gz DJCSRGQBMOYDSP-NSHDSACASA-N 0 3 236.359 3.019 20 0 BGADHN CC[C@@H](C)N(C)Cc1ccc(C(F)F)nc1 ZINC000637910890 351784769 /nfs/dbraw/zinc/78/47/69/351784769.db2.gz GLWADPZWLKEFHI-SECBINFHSA-N 0 3 228.286 3.250 20 0 BGADHN CC[C@H](C)N(C)Cc1ccc(C(F)F)nc1 ZINC000637910893 351784701 /nfs/dbraw/zinc/78/47/01/351784701.db2.gz GLWADPZWLKEFHI-VIFPVBQESA-N 0 3 228.286 3.250 20 0 BGADHN CCN([C@H](c1nccn1C)C1CC1)C1CCCC1 ZINC000637911242 351784810 /nfs/dbraw/zinc/78/48/10/351784810.db2.gz ZQWZUJNPNBTZIE-AWEZNQCLSA-N 0 3 247.386 3.136 20 0 BGADHN CCN([C@@H](c1nccn1C)C1CC1)C1CCCC1 ZINC000637911244 351784954 /nfs/dbraw/zinc/78/49/54/351784954.db2.gz ZQWZUJNPNBTZIE-CQSZACIVSA-N 0 3 247.386 3.136 20 0 BGADHN CN(Cc1ccc(CC(F)(F)F)cc1)C1CC1 ZINC000637911302 351784803 /nfs/dbraw/zinc/78/48/03/351784803.db2.gz TYUOJESFWJZRGK-UHFFFAOYSA-N 0 3 243.272 3.386 20 0 BGADHN CN(Cc1ccccc1CC(F)(F)F)C1CC1 ZINC000637911413 351784733 /nfs/dbraw/zinc/78/47/33/351784733.db2.gz VLOPGLKIIOPMHK-UHFFFAOYSA-N 0 3 243.272 3.386 20 0 BGADHN CCC[C@H](C)N(C)Cc1cc(C)ns1 ZINC000637912128 351785589 /nfs/dbraw/zinc/78/55/89/351785589.db2.gz SQROPROKEKRPEF-JTQLQIEISA-N 0 3 212.362 3.072 20 0 BGADHN CCC[C@@H](C)N(C)Cc1cc(C)ns1 ZINC000637912129 351785447 /nfs/dbraw/zinc/78/54/47/351785447.db2.gz SQROPROKEKRPEF-SNVBAGLBSA-N 0 3 212.362 3.072 20 0 BGADHN c1cc(CN(C2CC2)C2CCCCC2)sn1 ZINC000637912423 351785954 /nfs/dbraw/zinc/78/59/54/351785954.db2.gz WJBUKGVSRFBHHC-UHFFFAOYSA-N 0 3 236.384 3.440 20 0 BGADHN CCC[C@H](C)N(C)[C@H](C)c1cnc(C)nc1C ZINC000637912431 351785526 /nfs/dbraw/zinc/78/55/26/351785526.db2.gz WWZBAYRBNZTUGM-CMPLNLGQSA-N 0 3 235.375 3.275 20 0 BGADHN CCC[C@H](C)N(C)[C@@H](C)c1cnc(C)nc1C ZINC000637912432 351785440 /nfs/dbraw/zinc/78/54/40/351785440.db2.gz WWZBAYRBNZTUGM-JQWIXIFHSA-N 0 3 235.375 3.275 20 0 BGADHN CCC[C@@H](C)N(C)[C@@H](C)c1cnc(C)nc1C ZINC000637912433 351785667 /nfs/dbraw/zinc/78/56/67/351785667.db2.gz WWZBAYRBNZTUGM-PWSUYJOCSA-N 0 3 235.375 3.275 20 0 BGADHN CCC[C@@H](C)N(C)[C@H](C)c1cnc(C)nc1C ZINC000637912434 351786680 /nfs/dbraw/zinc/78/66/80/351786680.db2.gz WWZBAYRBNZTUGM-ZYHUDNBSSA-N 0 3 235.375 3.275 20 0 BGADHN CCC[C@@H](CN1CCC[C@@H]1c1ccccn1)OC ZINC000637912737 351786572 /nfs/dbraw/zinc/78/65/72/351786572.db2.gz GYPBYAKZGOPXDZ-DZGCQCFKSA-N 0 3 248.370 3.034 20 0 BGADHN CCC[C@H](CN1CCC[C@H]1c1ccccn1)OC ZINC000637912740 351786300 /nfs/dbraw/zinc/78/63/00/351786300.db2.gz GYPBYAKZGOPXDZ-HIFRSBDPSA-N 0 3 248.370 3.034 20 0 BGADHN CCC[C@H](CN1CCC[C@@H]1c1ccccn1)OC ZINC000637912741 351786523 /nfs/dbraw/zinc/78/65/23/351786523.db2.gz GYPBYAKZGOPXDZ-UKRRQHHQSA-N 0 3 248.370 3.034 20 0 BGADHN CCC[C@@H](CN1CCC[C@H]1c1ccccn1)OC ZINC000637912744 351786543 /nfs/dbraw/zinc/78/65/43/351786543.db2.gz GYPBYAKZGOPXDZ-ZFWWWQNUSA-N 0 3 248.370 3.034 20 0 BGADHN c1cc(CN2CC[C@@H](c3ccccc3)C2)sn1 ZINC000637914309 351788446 /nfs/dbraw/zinc/78/84/46/351788446.db2.gz YPWQFWCVVLGXAF-CYBMUJFWSA-N 0 3 244.363 3.133 20 0 BGADHN c1cc(CN2CC[C@H](c3ccccc3)C2)sn1 ZINC000637914310 351788609 /nfs/dbraw/zinc/78/86/09/351788609.db2.gz YPWQFWCVVLGXAF-ZDUSSCGKSA-N 0 3 244.363 3.133 20 0 BGADHN C[C@@H](c1cccs1)N(C)Cc1ccc(=O)[nH]c1 ZINC000637920431 351794752 /nfs/dbraw/zinc/79/47/52/351794752.db2.gz SXQNEMOJWWJUEK-JTQLQIEISA-N 0 3 248.351 3.042 20 0 BGADHN C[C@H](c1cccs1)N(C)Cc1ccc(=O)[nH]c1 ZINC000637920440 351795089 /nfs/dbraw/zinc/79/50/89/351795089.db2.gz SXQNEMOJWWJUEK-SNVBAGLBSA-N 0 3 248.351 3.042 20 0 BGADHN C[C@H](C1CC1)N(C)Cc1ccc(C(F)F)nc1 ZINC000637921081 351795631 /nfs/dbraw/zinc/79/56/31/351795631.db2.gz VJYUNXYQXOMJFN-SECBINFHSA-N 0 3 240.297 3.250 20 0 BGADHN C[C@@H](C1CC1)N(C)Cc1ccc(C(F)F)nc1 ZINC000637921082 351795915 /nfs/dbraw/zinc/79/59/15/351795915.db2.gz VJYUNXYQXOMJFN-VIFPVBQESA-N 0 3 240.297 3.250 20 0 BGADHN CC(C)N(Cc1ccns1)C1CCCC1 ZINC000637921574 351796666 /nfs/dbraw/zinc/79/66/66/351796666.db2.gz FYTPDMPFEJTTST-UHFFFAOYSA-N 0 3 224.373 3.296 20 0 BGADHN CCCN(CC(C)C)[C@H](c1nccn1C)C1CC1 ZINC000637924821 386636176 /nfs/dbraw/zinc/63/61/76/386636176.db2.gz FBUAAMBQCLGSEA-AWEZNQCLSA-N 0 3 249.402 3.239 20 0 BGADHN CCCN(CC(C)C)[C@@H](c1nccn1C)C1CC1 ZINC000637924822 351798297 /nfs/dbraw/zinc/79/82/97/351798297.db2.gz FBUAAMBQCLGSEA-CQSZACIVSA-N 0 3 249.402 3.239 20 0 BGADHN C[C@@H](N(C)Cc1ccns1)C(C)(C)C ZINC000637926428 351800980 /nfs/dbraw/zinc/80/09/80/351800980.db2.gz CNYKOEIFRPEGPN-SECBINFHSA-N 0 3 212.362 3.010 20 0 BGADHN C[C@H](N(C)Cc1ccns1)C(C)(C)C ZINC000637926429 351800952 /nfs/dbraw/zinc/80/09/52/351800952.db2.gz CNYKOEIFRPEGPN-VIFPVBQESA-N 0 3 212.362 3.010 20 0 BGADHN Cc1cc(CN(C)[C@@H](C)C(C)(C)C)sn1 ZINC000637927208 351802326 /nfs/dbraw/zinc/80/23/26/351802326.db2.gz JUUIROWJGHESOB-JTQLQIEISA-N 0 3 226.389 3.318 20 0 BGADHN Cc1cc(CN(C)[C@H](C)C(C)(C)C)sn1 ZINC000637927212 351802228 /nfs/dbraw/zinc/80/22/28/351802228.db2.gz JUUIROWJGHESOB-SNVBAGLBSA-N 0 3 226.389 3.318 20 0 BGADHN CCCN(Cc1ccns1)CC(C)C ZINC000637927521 351802899 /nfs/dbraw/zinc/80/28/99/351802899.db2.gz WLMLBJSLGFKXIN-UHFFFAOYSA-N 0 3 212.362 3.011 20 0 BGADHN CC(C)N(Cc1ccnn1CC1CCC1)C1CC1 ZINC000637927830 351802755 /nfs/dbraw/zinc/80/27/55/351802755.db2.gz QZHMTGIJSWNWHT-UHFFFAOYSA-N 0 3 247.386 3.056 20 0 BGADHN COc1cncc(CN(CC(C)C)C2CC2)c1C ZINC000637928083 351803251 /nfs/dbraw/zinc/80/32/51/351803251.db2.gz ORQQRNRJUOQSPN-UHFFFAOYSA-N 0 3 248.370 3.019 20 0 BGADHN Cc1cc(CN(CC(C)C)C2CC2)sn1 ZINC000637928085 351803227 /nfs/dbraw/zinc/80/32/27/351803227.db2.gz OSCHQPCQLWFASF-UHFFFAOYSA-N 0 3 224.373 3.072 20 0 BGADHN CC(C)N(Cc1ccc(C(F)F)nc1)C1CC1 ZINC000637929024 351805610 /nfs/dbraw/zinc/80/56/10/351805610.db2.gz ZGQYADDJNQHWHI-UHFFFAOYSA-N 0 3 240.297 3.392 20 0 BGADHN Cc1ncc([C@@H](C)N(C(C)C)C2CC2)c(C)n1 ZINC000637929085 351805876 /nfs/dbraw/zinc/80/58/76/351805876.db2.gz ZYVWGJWMSHIZIT-LLVKDONJSA-N 0 3 233.359 3.027 20 0 BGADHN Cc1ncc([C@H](C)N(C(C)C)C2CC2)c(C)n1 ZINC000637929088 351805822 /nfs/dbraw/zinc/80/58/22/351805822.db2.gz ZYVWGJWMSHIZIT-NSHDSACASA-N 0 3 233.359 3.027 20 0 BGADHN Cc1cc(CN([C@@H](C)C2CC2)C2CC2)sn1 ZINC000637929164 351805437 /nfs/dbraw/zinc/80/54/37/351805437.db2.gz UZTQJINSTLBFOT-JTQLQIEISA-N 0 3 236.384 3.214 20 0 BGADHN Cc1cc(CN([C@H](C)C2CC2)C2CC2)sn1 ZINC000637929165 351805590 /nfs/dbraw/zinc/80/55/90/351805590.db2.gz UZTQJINSTLBFOT-SNVBAGLBSA-N 0 3 236.384 3.214 20 0 BGADHN COc1ncc(CN(C)[C@H](C)C(C)(C)C)s1 ZINC000637929199 351806347 /nfs/dbraw/zinc/80/63/47/351806347.db2.gz WAKZUXGPQHXSCO-SECBINFHSA-N 0 3 242.388 3.018 20 0 BGADHN COc1ncc(CN(C)[C@@H](C)C(C)(C)C)s1 ZINC000637929200 351806318 /nfs/dbraw/zinc/80/63/18/351806318.db2.gz WAKZUXGPQHXSCO-VIFPVBQESA-N 0 3 242.388 3.018 20 0 BGADHN Cc1ncc([C@@H](C)N(CC(C)C)C2CC2)c(C)n1 ZINC000637929368 411446737 /nfs/dbraw/zinc/44/67/37/411446737.db2.gz XVFGTRRXCDOSCF-GFCCVEGCSA-N 0 3 247.386 3.275 20 0 BGADHN Cc1ncc([C@H](C)N(CC(C)C)C2CC2)c(C)n1 ZINC000637929369 411446745 /nfs/dbraw/zinc/44/67/45/411446745.db2.gz XVFGTRRXCDOSCF-LBPRGKRZSA-N 0 3 247.386 3.275 20 0 BGADHN C[C@H](N(C)[C@H](c1nccn1C)C1CC1)C(C)(C)C ZINC000637930348 411446623 /nfs/dbraw/zinc/44/66/23/411446623.db2.gz NISNFZMTROOVCP-AAEUAGOBSA-N 0 3 249.402 3.238 20 0 BGADHN C[C@@H](N(C)[C@@H](c1nccn1C)C1CC1)C(C)(C)C ZINC000637930349 398042402 /nfs/dbraw/zinc/04/24/02/398042402.db2.gz NISNFZMTROOVCP-DGCLKSJQSA-N 0 3 249.402 3.238 20 0 BGADHN C[C@H](N(C)[C@@H](c1nccn1C)C1CC1)C(C)(C)C ZINC000637930350 398042464 /nfs/dbraw/zinc/04/24/64/398042464.db2.gz NISNFZMTROOVCP-WCQYABFASA-N 0 3 249.402 3.238 20 0 BGADHN C[C@@H](N(C)[C@H](c1nccn1C)C1CC1)C(C)(C)C ZINC000637930351 398042069 /nfs/dbraw/zinc/04/20/69/398042069.db2.gz NISNFZMTROOVCP-YPMHNXCESA-N 0 3 249.402 3.238 20 0 BGADHN CC(C)C[C@H](C)N(C)Cc1ccns1 ZINC000637930982 351807962 /nfs/dbraw/zinc/80/79/62/351807962.db2.gz XATJHHVTKWTEIF-JTQLQIEISA-N 0 3 212.362 3.010 20 0 BGADHN CC(C)C[C@@H](C)N(C)Cc1ccns1 ZINC000637930983 351807713 /nfs/dbraw/zinc/80/77/13/351807713.db2.gz XATJHHVTKWTEIF-SNVBAGLBSA-N 0 3 212.362 3.010 20 0 BGADHN Cc1cc(CN(CC2CC2)C(C)C)sn1 ZINC000637933652 351810304 /nfs/dbraw/zinc/81/03/04/351810304.db2.gz OWTDYWREDHSZBM-UHFFFAOYSA-N 0 3 224.373 3.072 20 0 BGADHN CC[C@H](C)CN(C)Cc1ccc(C(F)F)nc1 ZINC000637940122 351817272 /nfs/dbraw/zinc/81/72/72/351817272.db2.gz ADMXCXNTYGCGLN-JTQLQIEISA-N 0 3 242.313 3.497 20 0 BGADHN CC[C@@H](C)CN(C)Cc1ccc(C(F)F)nc1 ZINC000637940123 351817250 /nfs/dbraw/zinc/81/72/50/351817250.db2.gz ADMXCXNTYGCGLN-SNVBAGLBSA-N 0 3 242.313 3.497 20 0 BGADHN Cc1cc(CN(CC(C)C)C(C)C)sn1 ZINC000637941987 351819587 /nfs/dbraw/zinc/81/95/87/351819587.db2.gz KEGXRUGXZRHITI-UHFFFAOYSA-N 0 3 226.389 3.318 20 0 BGADHN COc1ncc(CN(CC(C)C)C(C)C)s1 ZINC000637942647 351818221 /nfs/dbraw/zinc/81/82/21/351818221.db2.gz LOCHUUSOKZNASA-UHFFFAOYSA-N 0 3 242.388 3.018 20 0 BGADHN CC(C)CN(Cc1ccns1)C(C)C ZINC000637943498 351819203 /nfs/dbraw/zinc/81/92/03/351819203.db2.gz VCBVMBRREJTGRJ-UHFFFAOYSA-N 0 3 212.362 3.010 20 0 BGADHN CC(C)CN(C(C)C)[C@H](c1nccn1C)C1CC1 ZINC000637943801 351820942 /nfs/dbraw/zinc/82/09/42/351820942.db2.gz WNHRLFPYRJDMJV-AWEZNQCLSA-N 0 3 249.402 3.238 20 0 BGADHN CC(C)CN(C(C)C)[C@@H](c1nccn1C)C1CC1 ZINC000637943802 351820701 /nfs/dbraw/zinc/82/07/01/351820701.db2.gz WNHRLFPYRJDMJV-CQSZACIVSA-N 0 3 249.402 3.238 20 0 BGADHN CC[C@@H]1CCCN(Cc2cc(C)ns2)C1 ZINC000637943833 351820222 /nfs/dbraw/zinc/82/02/22/351820222.db2.gz GLCKRWBLSMDLRJ-LLVKDONJSA-N 0 3 224.373 3.074 20 0 BGADHN CC[C@H]1CCCN(Cc2cc(C)ns2)C1 ZINC000637943834 351820904 /nfs/dbraw/zinc/82/09/04/351820904.db2.gz GLCKRWBLSMDLRJ-NSHDSACASA-N 0 3 224.373 3.074 20 0 BGADHN Cc1ncc(CN(C)CC2(C(C)C)CC2)s1 ZINC000637951422 351828211 /nfs/dbraw/zinc/82/82/11/351828211.db2.gz KIHHLFKDONIIMR-UHFFFAOYSA-N 0 3 238.400 3.320 20 0 BGADHN Cc1cc(CN2CCCC(C)(C)C2)sn1 ZINC000637952529 351827150 /nfs/dbraw/zinc/82/71/50/351827150.db2.gz RSXZXCFTLYCIAZ-UHFFFAOYSA-N 0 3 224.373 3.074 20 0 BGADHN CN(Cc1ccc(C(F)F)nc1)CC(C)(C)C ZINC000637959503 351833865 /nfs/dbraw/zinc/83/38/65/351833865.db2.gz FUEWHHZAVDABDI-UHFFFAOYSA-N 0 3 242.313 3.497 20 0 BGADHN CCC1CCN(Cc2cc(C)ns2)CC1 ZINC000637959692 351833976 /nfs/dbraw/zinc/83/39/76/351833976.db2.gz JBRQOIYVRMIJMF-UHFFFAOYSA-N 0 3 224.373 3.074 20 0 BGADHN CN(Cc1ccnn1CC1CCC1)CC(C)(C)C ZINC000637960445 398054543 /nfs/dbraw/zinc/05/45/43/398054543.db2.gz OMFXEDNVGXIJSI-UHFFFAOYSA-N 0 3 249.402 3.161 20 0 BGADHN CC[C@@H]1CCCN1Cc1ccc(C(F)F)nc1 ZINC000637964403 351837829 /nfs/dbraw/zinc/83/78/29/351837829.db2.gz ITVAUJKXGNKFOV-LLVKDONJSA-N 0 3 240.297 3.394 20 0 BGADHN CC[C@H]1CCCN1Cc1ccc(C(F)F)nc1 ZINC000637964407 351837739 /nfs/dbraw/zinc/83/77/39/351837739.db2.gz ITVAUJKXGNKFOV-NSHDSACASA-N 0 3 240.297 3.394 20 0 BGADHN CC[C@H]1CCCN1Cc1ccnn1CC1CCC1 ZINC000637965087 351838885 /nfs/dbraw/zinc/83/88/85/351838885.db2.gz OIMHVRWPRPTZAF-AWEZNQCLSA-N 0 3 247.386 3.058 20 0 BGADHN CC[C@@H]1CCCN1Cc1ccnn1CC1CCC1 ZINC000637965088 351838564 /nfs/dbraw/zinc/83/85/64/351838564.db2.gz OIMHVRWPRPTZAF-CQSZACIVSA-N 0 3 247.386 3.058 20 0 BGADHN CC[C@H]1CCCN1[C@@H](C)c1cnc(C)nc1C ZINC000637966055 351837873 /nfs/dbraw/zinc/83/78/73/351837873.db2.gz WGNQBDPILCVNFO-AAEUAGOBSA-N 0 3 233.359 3.029 20 0 BGADHN CC[C@@H]1CCCN1[C@H](C)c1cnc(C)nc1C ZINC000637966056 351837848 /nfs/dbraw/zinc/83/78/48/351837848.db2.gz WGNQBDPILCVNFO-DGCLKSJQSA-N 0 3 233.359 3.029 20 0 BGADHN CC[C@@H]1CCCN1[C@@H](C)c1cnc(C)nc1C ZINC000637966057 351838200 /nfs/dbraw/zinc/83/82/00/351838200.db2.gz WGNQBDPILCVNFO-WCQYABFASA-N 0 3 233.359 3.029 20 0 BGADHN CC[C@H]1CCCN1[C@H](C)c1cnc(C)nc1C ZINC000637966058 351837914 /nfs/dbraw/zinc/83/79/14/351837914.db2.gz WGNQBDPILCVNFO-YPMHNXCESA-N 0 3 233.359 3.029 20 0 BGADHN c1cc(CN2CC3C[C@@H]4CC2C[C@H](C3)C4)sn1 ZINC000637969211 351842864 /nfs/dbraw/zinc/84/28/64/351842864.db2.gz JLDXHFLAPBVSCF-MPEURRAXSA-N 0 3 248.395 3.154 20 0 BGADHN Cc1occc1CN(C)CC1CCSCC1 ZINC000637969551 351844526 /nfs/dbraw/zinc/84/45/26/351844526.db2.gz LDBALPRPQHWKIO-UHFFFAOYSA-N 0 3 239.384 3.163 20 0 BGADHN C[C@@H](c1ccco1)N(CCC[C@@H]1CCO1)C1CC1 ZINC000637969762 351844392 /nfs/dbraw/zinc/84/43/92/351844392.db2.gz BXNZLNMMSMNYEZ-GXTWGEPZSA-N 0 3 249.354 3.374 20 0 BGADHN C[C@@H](c1ccco1)N(CCC[C@H]1CCO1)C1CC1 ZINC000637969763 351844017 /nfs/dbraw/zinc/84/40/17/351844017.db2.gz BXNZLNMMSMNYEZ-JSGCOSHPSA-N 0 3 249.354 3.374 20 0 BGADHN C[C@H](c1ccco1)N(CCC[C@H]1CCO1)C1CC1 ZINC000637969764 351844606 /nfs/dbraw/zinc/84/46/06/351844606.db2.gz BXNZLNMMSMNYEZ-OCCSQVGLSA-N 0 3 249.354 3.374 20 0 BGADHN C[C@H](c1ccco1)N(CCC[C@@H]1CCO1)C1CC1 ZINC000637969765 351844033 /nfs/dbraw/zinc/84/40/33/351844033.db2.gz BXNZLNMMSMNYEZ-TZMCWYRMSA-N 0 3 249.354 3.374 20 0 BGADHN Cc1cc(CN2CCC[C@@H]3CCC[C@@H]32)sn1 ZINC000637972471 351847891 /nfs/dbraw/zinc/84/78/91/351847891.db2.gz OPASDGXLEPIEHS-AAEUAGOBSA-N 0 3 236.384 3.216 20 0 BGADHN Cc1cc(CN2CCC[C@H]3CCC[C@H]32)sn1 ZINC000637972472 351848089 /nfs/dbraw/zinc/84/80/89/351848089.db2.gz OPASDGXLEPIEHS-DGCLKSJQSA-N 0 3 236.384 3.216 20 0 BGADHN Cc1cc(CN2CCC[C@@H]3CCC[C@H]32)sn1 ZINC000637972474 351847775 /nfs/dbraw/zinc/84/77/75/351847775.db2.gz OPASDGXLEPIEHS-WCQYABFASA-N 0 3 236.384 3.216 20 0 BGADHN Cc1cc(CN2CCC[C@H]3CCC[C@@H]32)sn1 ZINC000637972476 351848188 /nfs/dbraw/zinc/84/81/88/351848188.db2.gz OPASDGXLEPIEHS-YPMHNXCESA-N 0 3 236.384 3.216 20 0 BGADHN CCN(Cc1cnc(OC)s1)[C@@H](C)C(C)C ZINC000637976488 351854230 /nfs/dbraw/zinc/85/42/30/351854230.db2.gz ARQZYDMMGKIQMH-JTQLQIEISA-N 0 3 242.388 3.018 20 0 BGADHN CCN(Cc1cnc(OC)s1)[C@H](C)C(C)C ZINC000637976490 351853995 /nfs/dbraw/zinc/85/39/95/351853995.db2.gz ARQZYDMMGKIQMH-SNVBAGLBSA-N 0 3 242.388 3.018 20 0 BGADHN CCN(Cc1ccns1)[C@@H](C)C(C)C ZINC000637979201 351853206 /nfs/dbraw/zinc/85/32/06/351853206.db2.gz QVDWBKSFLHUDCA-JTQLQIEISA-N 0 3 212.362 3.010 20 0 BGADHN CCN(Cc1ccns1)[C@H](C)C(C)C ZINC000637979202 351853909 /nfs/dbraw/zinc/85/39/09/351853909.db2.gz QVDWBKSFLHUDCA-SNVBAGLBSA-N 0 3 212.362 3.010 20 0 BGADHN CCN(Cc1cc(C)ns1)[C@H](C)C(C)C ZINC000637979228 351856562 /nfs/dbraw/zinc/85/65/62/351856562.db2.gz RGTKDQJDDHAISD-LLVKDONJSA-N 0 3 226.389 3.318 20 0 BGADHN CCN(Cc1cc(C)ns1)[C@@H](C)C(C)C ZINC000637979231 351856188 /nfs/dbraw/zinc/85/61/88/351856188.db2.gz RGTKDQJDDHAISD-NSHDSACASA-N 0 3 226.389 3.318 20 0 BGADHN Cc1cc(CN2CCC[C@H](C)CC2)sn1 ZINC000637979354 351852802 /nfs/dbraw/zinc/85/28/02/351852802.db2.gz RWIQQXHVLWOAKW-JTQLQIEISA-N 0 3 224.373 3.074 20 0 BGADHN Cc1cc(CN2CCC[C@@H](C)CC2)sn1 ZINC000637979356 351852608 /nfs/dbraw/zinc/85/26/08/351852608.db2.gz RWIQQXHVLWOAKW-SNVBAGLBSA-N 0 3 224.373 3.074 20 0 BGADHN CCN([C@@H](c1nccn1C)C1CC1)[C@@H](C)C(C)C ZINC000637979830 351857548 /nfs/dbraw/zinc/85/75/48/351857548.db2.gz WXGRETBKOFEJIT-GXTWGEPZSA-N 0 3 249.402 3.238 20 0 BGADHN CCN([C@@H](C)C(C)C)[C@H](c1nccn1C)C1CC1 ZINC000637979831 351857323 /nfs/dbraw/zinc/85/73/23/351857323.db2.gz WXGRETBKOFEJIT-JSGCOSHPSA-N 0 3 249.402 3.238 20 0 BGADHN CCN([C@H](C)C(C)C)[C@H](c1nccn1C)C1CC1 ZINC000637979832 351857215 /nfs/dbraw/zinc/85/72/15/351857215.db2.gz WXGRETBKOFEJIT-OCCSQVGLSA-N 0 3 249.402 3.238 20 0 BGADHN CCN([C@H](C)C(C)C)[C@@H](c1nccn1C)C1CC1 ZINC000637979833 351857425 /nfs/dbraw/zinc/85/74/25/351857425.db2.gz WXGRETBKOFEJIT-TZMCWYRMSA-N 0 3 249.402 3.238 20 0 BGADHN Cc1cc(CN(C)CC2CCCC2)sn1 ZINC000637984784 351859229 /nfs/dbraw/zinc/85/92/29/351859229.db2.gz LXEUYPVJGGZGOZ-UHFFFAOYSA-N 0 3 224.373 3.074 20 0 BGADHN COc1cncc(CN(C)CC2CCCC2)c1C ZINC000637986127 351861387 /nfs/dbraw/zinc/86/13/87/351861387.db2.gz XLMXXGHQFJZLBW-UHFFFAOYSA-N 0 3 248.370 3.021 20 0 BGADHN Cc1cc(CN(C)C(C2CC2)C2CC2)sn1 ZINC000637989529 351864277 /nfs/dbraw/zinc/86/42/77/351864277.db2.gz MAMLQMZQBIFTOF-UHFFFAOYSA-N 0 3 236.384 3.072 20 0 BGADHN CC(C)C1(CN2CCCC[C@@H]2c2ncc[nH]2)CC1 ZINC000637991649 351865728 /nfs/dbraw/zinc/86/57/28/351865728.db2.gz OCAUTKCDNTYHSJ-CYBMUJFWSA-N 0 3 247.386 3.373 20 0 BGADHN CC(C)C1(CN2CCCC[C@H]2c2ncc[nH]2)CC1 ZINC000637991651 351865953 /nfs/dbraw/zinc/86/59/53/351865953.db2.gz OCAUTKCDNTYHSJ-ZDUSSCGKSA-N 0 3 247.386 3.373 20 0 BGADHN CCN(CCC(F)(F)F)C[C@](C)(CC)OC ZINC000637993681 351867977 /nfs/dbraw/zinc/86/79/77/351867977.db2.gz MSCROXBYLSUSDV-JTQLQIEISA-N 0 3 241.297 3.076 20 0 BGADHN CCN(CCC(F)(F)F)C[C@@](C)(CC)OC ZINC000637993683 351867390 /nfs/dbraw/zinc/86/73/90/351867390.db2.gz MSCROXBYLSUSDV-SNVBAGLBSA-N 0 3 241.297 3.076 20 0 BGADHN Cc1cc(CN2CCC[C@H](C)[C@H]2C)sn1 ZINC000637994004 351868333 /nfs/dbraw/zinc/86/83/33/351868333.db2.gz QOZGYZSWNAAYNF-GXSJLCMTSA-N 0 3 224.373 3.072 20 0 BGADHN Cc1cc(CN2CCC[C@@H](C)[C@@H]2C)sn1 ZINC000637994005 351868594 /nfs/dbraw/zinc/86/85/94/351868594.db2.gz QOZGYZSWNAAYNF-KOLCDFICSA-N 0 3 224.373 3.072 20 0 BGADHN Cc1cc(CN2CCC[C@@H](C)[C@H]2C)sn1 ZINC000637994006 351868557 /nfs/dbraw/zinc/86/85/57/351868557.db2.gz QOZGYZSWNAAYNF-MWLCHTKSSA-N 0 3 224.373 3.072 20 0 BGADHN Cc1cc(CN2CCC[C@H](C)[C@@H]2C)sn1 ZINC000637994007 351868516 /nfs/dbraw/zinc/86/85/16/351868516.db2.gz QOZGYZSWNAAYNF-ONGXEEELSA-N 0 3 224.373 3.072 20 0 BGADHN Cc1ncc([C@H](C)N2CCC[C@H](C)[C@@H]2C)c(C)n1 ZINC000637994250 351868846 /nfs/dbraw/zinc/86/88/46/351868846.db2.gz RYTDTCXLHUXFKO-DRZSPHRISA-N 0 3 247.386 3.275 20 0 BGADHN Cc1ncc([C@H](C)N2CCC[C@@H](C)[C@H]2C)c(C)n1 ZINC000637994251 351868668 /nfs/dbraw/zinc/86/86/68/351868668.db2.gz RYTDTCXLHUXFKO-RTXFEEFZSA-N 0 3 247.386 3.275 20 0 BGADHN Cc1ncc([C@H](C)N2CCC[C@H](C)[C@H]2C)c(C)n1 ZINC000637994253 351868920 /nfs/dbraw/zinc/86/89/20/351868920.db2.gz RYTDTCXLHUXFKO-UHTWSYAYSA-N 0 3 247.386 3.275 20 0 BGADHN Cc1ncc([C@H](C)N2CCC[C@@H](C)[C@@H]2C)c(C)n1 ZINC000637994255 351868284 /nfs/dbraw/zinc/86/82/84/351868284.db2.gz RYTDTCXLHUXFKO-WXHSDQCUSA-N 0 3 247.386 3.275 20 0 BGADHN CCC[C@@H](CN(CC)CCC(F)(F)F)OC ZINC000637994887 351872054 /nfs/dbraw/zinc/87/20/54/351872054.db2.gz XOHPTHPGIUDIOM-JTQLQIEISA-N 0 3 241.297 3.076 20 0 BGADHN CCC[C@H](CN(CC)CCC(F)(F)F)OC ZINC000637994888 351872287 /nfs/dbraw/zinc/87/22/87/351872287.db2.gz XOHPTHPGIUDIOM-SNVBAGLBSA-N 0 3 241.297 3.076 20 0 BGADHN CCC1(C)CCN(Cc2ccns2)CC1 ZINC000637995534 351873549 /nfs/dbraw/zinc/87/35/49/351873549.db2.gz FQZYUTVPICSAST-UHFFFAOYSA-N 0 3 224.373 3.155 20 0 BGADHN CC1(C)CCCN1Cc1ccc(C(F)F)nc1 ZINC000637995878 351874080 /nfs/dbraw/zinc/87/40/80/351874080.db2.gz BSPSEDQOCILCPQ-UHFFFAOYSA-N 0 3 240.297 3.394 20 0 BGADHN Cc1ncc([C@@H](C)N2CCCC2(C)C)c(C)n1 ZINC000637996322 351871376 /nfs/dbraw/zinc/87/13/76/351871376.db2.gz HVONDTKPDRDCLO-LLVKDONJSA-N 0 3 233.359 3.029 20 0 BGADHN Cc1ncc([C@H](C)N2CCCC2(C)C)c(C)n1 ZINC000637996323 351871239 /nfs/dbraw/zinc/87/12/39/351871239.db2.gz HVONDTKPDRDCLO-NSHDSACASA-N 0 3 233.359 3.029 20 0 BGADHN CC1(C)CCCN1Cc1ccnn1CC1CCC1 ZINC000637996363 351871279 /nfs/dbraw/zinc/87/12/79/351871279.db2.gz ISVJXBIEVZODLX-UHFFFAOYSA-N 0 3 247.386 3.058 20 0 BGADHN Cc1cc(CN2CCC(C)(C)CC2)sn1 ZINC000638018877 351897701 /nfs/dbraw/zinc/89/77/01/351897701.db2.gz RJMJSLPQKGLUQQ-UHFFFAOYSA-N 0 3 224.373 3.074 20 0 BGADHN Cc1ncsc1CN(C)CC1(C(C)C)CC1 ZINC000638019749 351898456 /nfs/dbraw/zinc/89/84/56/351898456.db2.gz BRYVBFPJDBZIBE-UHFFFAOYSA-N 0 3 238.400 3.320 20 0 BGADHN C[C@H](CN(C)Cc1ccns1)c1ccccc1 ZINC000638020712 351899915 /nfs/dbraw/zinc/89/99/15/351899915.db2.gz BRGSMWDNRLZLFU-GFCCVEGCSA-N 0 3 246.379 3.379 20 0 BGADHN C[C@@H](CN(C)Cc1ccns1)c1ccccc1 ZINC000638020719 351899598 /nfs/dbraw/zinc/89/95/98/351899598.db2.gz BRGSMWDNRLZLFU-LBPRGKRZSA-N 0 3 246.379 3.379 20 0 BGADHN CC(C)(C)[C@H]1CCCN1Cc1ccns1 ZINC000638021258 351900347 /nfs/dbraw/zinc/90/03/47/351900347.db2.gz DVQVTGWSJKINNX-LLVKDONJSA-N 0 3 224.373 3.154 20 0 BGADHN CC(C)(C)[C@@H]1CCCN1Cc1ccns1 ZINC000638021259 351900560 /nfs/dbraw/zinc/90/05/60/351900560.db2.gz DVQVTGWSJKINNX-NSHDSACASA-N 0 3 224.373 3.154 20 0 BGADHN c1ccc2c(c1)CN(CC1CCSCC1)C2 ZINC000638037984 351918143 /nfs/dbraw/zinc/91/81/43/351918143.db2.gz SJCUEVZDUPVLNP-UHFFFAOYSA-N 0 3 233.380 3.145 20 0 BGADHN CC[C@@H](C)[C@H](CN1Cc2ccccc2C1)OC ZINC000638038597 351921729 /nfs/dbraw/zinc/92/17/29/351921729.db2.gz WNRYCJZHWBRJGQ-DOMZBBRYSA-N 0 3 233.355 3.063 20 0 BGADHN CC[C@@H](C)[C@@H](CN1Cc2ccccc2C1)OC ZINC000638038598 351922041 /nfs/dbraw/zinc/92/20/41/351922041.db2.gz WNRYCJZHWBRJGQ-IUODEOHRSA-N 0 3 233.355 3.063 20 0 BGADHN CC[C@H](C)[C@@H](CN1Cc2ccccc2C1)OC ZINC000638038599 351921520 /nfs/dbraw/zinc/92/15/20/351921520.db2.gz WNRYCJZHWBRJGQ-SWLSCSKDSA-N 0 3 233.355 3.063 20 0 BGADHN CC[C@H](C)[C@H](CN1Cc2ccccc2C1)OC ZINC000638038600 351921573 /nfs/dbraw/zinc/92/15/73/351921573.db2.gz WNRYCJZHWBRJGQ-WFASDCNBSA-N 0 3 233.355 3.063 20 0 BGADHN CCC(C)(C)N(C)Cc1cc(C)ns1 ZINC000638062141 351934556 /nfs/dbraw/zinc/93/45/56/351934556.db2.gz KTFJJOUAJLYROS-UHFFFAOYSA-N 0 3 212.362 3.072 20 0 BGADHN CCC(C)(C)N(C)Cc1cncc(OC)c1C ZINC000638063683 351935452 /nfs/dbraw/zinc/93/54/52/351935452.db2.gz WPXPEBMGAPRYRY-UHFFFAOYSA-N 0 3 236.359 3.019 20 0 BGADHN CCC(C)(C)N(C)Cc1ccnn1CC1CCC1 ZINC000638064048 351937027 /nfs/dbraw/zinc/93/70/27/351937027.db2.gz YWMWSUOSXIOOOZ-UHFFFAOYSA-N 0 3 249.402 3.304 20 0 BGADHN CC(C)C[C@H]1CCN(Cc2ccns2)C1 ZINC000638066887 351938893 /nfs/dbraw/zinc/93/88/93/351938893.db2.gz NSBFAQZJFDNKCS-LLVKDONJSA-N 0 3 224.373 3.011 20 0 BGADHN CC(C)C[C@@H]1CCN(Cc2ccns2)C1 ZINC000638066888 351938474 /nfs/dbraw/zinc/93/84/74/351938474.db2.gz NSBFAQZJFDNKCS-NSHDSACASA-N 0 3 224.373 3.011 20 0 BGADHN CC1(C)CCN(Cc2ccc(C(F)F)nc2)C1 ZINC000638067662 351938012 /nfs/dbraw/zinc/93/80/12/351938012.db2.gz DOQDDWXWVWPAES-UHFFFAOYSA-N 0 3 240.297 3.251 20 0 BGADHN CCN(Cc1ccccn1)CC1(C(C)C)CC1 ZINC000638068280 351942419 /nfs/dbraw/zinc/94/24/19/351942419.db2.gz WILRVHRDMYREKD-UHFFFAOYSA-N 0 3 232.371 3.340 20 0 BGADHN Cc1cc(CN2CC[C@@H](c3ccco3)C2)sn1 ZINC000638068493 351937041 /nfs/dbraw/zinc/93/70/41/351937041.db2.gz CBWJXCHUXOHECG-LLVKDONJSA-N 0 3 248.351 3.034 20 0 BGADHN Cc1cc(CN2CC[C@H](c3ccco3)C2)sn1 ZINC000638068497 351937176 /nfs/dbraw/zinc/93/71/76/351937176.db2.gz CBWJXCHUXOHECG-NSHDSACASA-N 0 3 248.351 3.034 20 0 BGADHN C[C@@H]1CCCN1Cc1ccc(C(F)F)nc1 ZINC000638069492 351941620 /nfs/dbraw/zinc/94/16/20/351941620.db2.gz PPDHPYXTBOKOAR-SECBINFHSA-N 0 3 226.270 3.004 20 0 BGADHN C[C@H]1CCCN1Cc1ccc(C(F)F)nc1 ZINC000638069493 351941276 /nfs/dbraw/zinc/94/12/76/351941276.db2.gz PPDHPYXTBOKOAR-VIFPVBQESA-N 0 3 226.270 3.004 20 0 BGADHN CCC1(CC)CCN(Cc2ccns2)C1 ZINC000638069930 351942657 /nfs/dbraw/zinc/94/26/57/351942657.db2.gz VJFQNSQVVHBUTI-UHFFFAOYSA-N 0 3 224.373 3.155 20 0 BGADHN CCN(Cc1ccc(C(F)F)nc1)CC1CC1 ZINC000638074978 385795632 /nfs/dbraw/zinc/79/56/32/385795632.db2.gz GBOBAZNPEKDSCC-UHFFFAOYSA-N 0 3 240.297 3.251 20 0 BGADHN C[C@H]1CCCCCN1[C@@H](c1nccn1C)C1CC1 ZINC000638075317 351947251 /nfs/dbraw/zinc/94/72/51/351947251.db2.gz DTKIWTMPPODLPS-GXTWGEPZSA-N 0 3 247.386 3.136 20 0 BGADHN C[C@H]1CCCCCN1[C@H](c1nccn1C)C1CC1 ZINC000638075320 351947222 /nfs/dbraw/zinc/94/72/22/351947222.db2.gz DTKIWTMPPODLPS-JSGCOSHPSA-N 0 3 247.386 3.136 20 0 BGADHN C[C@@H]1CCCCCN1[C@H](c1nccn1C)C1CC1 ZINC000638075323 351946789 /nfs/dbraw/zinc/94/67/89/351946789.db2.gz DTKIWTMPPODLPS-OCCSQVGLSA-N 0 3 247.386 3.136 20 0 BGADHN C[C@@H]1CCCCCN1[C@@H](c1nccn1C)C1CC1 ZINC000638075325 351947068 /nfs/dbraw/zinc/94/70/68/351947068.db2.gz DTKIWTMPPODLPS-TZMCWYRMSA-N 0 3 247.386 3.136 20 0 BGADHN Cc1cc(CN2CCCCC[C@H]2C)sn1 ZINC000638077329 385797427 /nfs/dbraw/zinc/79/74/27/385797427.db2.gz RJYGEVZCJHTXIG-LLVKDONJSA-N 0 3 224.373 3.216 20 0 BGADHN Cc1cc(CN2CCCCC[C@@H]2C)sn1 ZINC000638077330 385797510 /nfs/dbraw/zinc/79/75/10/385797510.db2.gz RJYGEVZCJHTXIG-NSHDSACASA-N 0 3 224.373 3.216 20 0 BGADHN c1cc(CN2CCC[C@@]3(CC=CCC3)C2)sn1 ZINC000638085006 351961281 /nfs/dbraw/zinc/96/12/81/351961281.db2.gz JBHNCNZAJPIYFS-AWEZNQCLSA-N 0 3 248.395 3.465 20 0 BGADHN c1cc(CN2CCC[C@]3(CC=CCC3)C2)sn1 ZINC000638085011 351961335 /nfs/dbraw/zinc/96/13/35/351961335.db2.gz JBHNCNZAJPIYFS-CQSZACIVSA-N 0 3 248.395 3.465 20 0 BGADHN CC(C)[C@H]1CCCCN1Cc1ccns1 ZINC000638087629 351965957 /nfs/dbraw/zinc/96/59/57/351965957.db2.gz VGFFIWKJWGSBBQ-GFCCVEGCSA-N 0 3 224.373 3.154 20 0 BGADHN CC(C)[C@@H]1CCCCN1Cc1ccns1 ZINC000638087630 351966146 /nfs/dbraw/zinc/96/61/46/351966146.db2.gz VGFFIWKJWGSBBQ-LBPRGKRZSA-N 0 3 224.373 3.154 20 0 BGADHN CC[C@]1(C)CCCN(Cc2ccns2)C1 ZINC000638088198 351965244 /nfs/dbraw/zinc/96/52/44/351965244.db2.gz DDHLLXNETRRBSN-GFCCVEGCSA-N 0 3 224.373 3.155 20 0 BGADHN CC[C@@]1(C)CCCN(Cc2ccns2)C1 ZINC000638088199 351965521 /nfs/dbraw/zinc/96/55/21/351965521.db2.gz DDHLLXNETRRBSN-LBPRGKRZSA-N 0 3 224.373 3.155 20 0 BGADHN CN(Cc1ccc(C(F)F)nc1)C1CCC1 ZINC000638089497 351966162 /nfs/dbraw/zinc/96/61/62/351966162.db2.gz PNLZMLORSARCTC-UHFFFAOYSA-N 0 3 226.270 3.004 20 0 BGADHN CN(Cc1cc2ccccc2n1C)C1CCC1 ZINC000638090064 351968310 /nfs/dbraw/zinc/96/83/10/351968310.db2.gz UHTWJNMEXQIQSS-UHFFFAOYSA-N 0 3 228.339 3.163 20 0 BGADHN Cc1cc(CN(CC2CC2)CC2CC2)sn1 ZINC000638090945 351969209 /nfs/dbraw/zinc/96/92/09/351969209.db2.gz IZVITUNVSZTZKP-UHFFFAOYSA-N 0 3 236.384 3.074 20 0 BGADHN Cc1cc(CN2C[C@@H](C)CC[C@H]2C)sn1 ZINC000638093062 351971706 /nfs/dbraw/zinc/97/17/06/351971706.db2.gz AQUNTVQZHHABAP-GXSJLCMTSA-N 0 3 224.373 3.072 20 0 BGADHN Cc1cc(CN2C[C@H](C)CC[C@@H]2C)sn1 ZINC000638093064 351971849 /nfs/dbraw/zinc/97/18/49/351971849.db2.gz AQUNTVQZHHABAP-KOLCDFICSA-N 0 3 224.373 3.072 20 0 BGADHN Cc1cc(CN2C[C@H](C)CC[C@H]2C)sn1 ZINC000638093067 351971665 /nfs/dbraw/zinc/97/16/65/351971665.db2.gz AQUNTVQZHHABAP-MWLCHTKSSA-N 0 3 224.373 3.072 20 0 BGADHN Cc1cc(CN2C[C@@H](C)CC[C@@H]2C)sn1 ZINC000638093070 351972087 /nfs/dbraw/zinc/97/20/87/351972087.db2.gz AQUNTVQZHHABAP-ONGXEEELSA-N 0 3 224.373 3.072 20 0 BGADHN Cc1ncc([C@H](C)N2C[C@@H](C)CC[C@@H]2C)c(C)n1 ZINC000638093456 351972670 /nfs/dbraw/zinc/97/26/70/351972670.db2.gz CZBNIISYKUJURQ-GVXVVHGQSA-N 0 3 247.386 3.275 20 0 BGADHN Cc1ncc([C@H](C)N2C[C@@H](C)CC[C@H]2C)c(C)n1 ZINC000638093458 351972984 /nfs/dbraw/zinc/97/29/84/351972984.db2.gz CZBNIISYKUJURQ-LOWVWBTDSA-N 0 3 247.386 3.275 20 0 BGADHN Cc1ncc([C@H](C)N2C[C@H](C)CC[C@@H]2C)c(C)n1 ZINC000638093460 351972750 /nfs/dbraw/zinc/97/27/50/351972750.db2.gz CZBNIISYKUJURQ-MDZLAQPJSA-N 0 3 247.386 3.275 20 0 BGADHN Cc1ncc([C@H](C)N2C[C@H](C)CC[C@H]2C)c(C)n1 ZINC000638093462 351972635 /nfs/dbraw/zinc/97/26/35/351972635.db2.gz CZBNIISYKUJURQ-WZRBSPASSA-N 0 3 247.386 3.275 20 0 BGADHN CC[C@@H]1C[C@H](C)CN1Cc1cc(C)ns1 ZINC000638093820 351973296 /nfs/dbraw/zinc/97/32/96/351973296.db2.gz NCZXFKIHLMMACQ-GXSJLCMTSA-N 0 3 224.373 3.072 20 0 BGADHN CC[C@H]1C[C@@H](C)CN1Cc1cc(C)ns1 ZINC000638093821 351973991 /nfs/dbraw/zinc/97/39/91/351973991.db2.gz NCZXFKIHLMMACQ-KOLCDFICSA-N 0 3 224.373 3.072 20 0 BGADHN CC[C@@H]1C[C@@H](C)CN1Cc1cc(C)ns1 ZINC000638093823 351973997 /nfs/dbraw/zinc/97/39/97/351973997.db2.gz NCZXFKIHLMMACQ-MWLCHTKSSA-N 0 3 224.373 3.072 20 0 BGADHN CC[C@H]1C[C@H](C)CN1Cc1cc(C)ns1 ZINC000638093825 351973717 /nfs/dbraw/zinc/97/37/17/351973717.db2.gz NCZXFKIHLMMACQ-ONGXEEELSA-N 0 3 224.373 3.072 20 0 BGADHN C[C@H]1CN(Cc2ccc(C(F)F)nc2)C[C@H]1C ZINC000638094229 351973389 /nfs/dbraw/zinc/97/33/89/351973389.db2.gz QMQDQFQLTMASPZ-AOOOYVTPSA-N 0 3 240.297 3.107 20 0 BGADHN C[C@@H]1CN(Cc2ccc(C(F)F)nc2)C[C@H]1C ZINC000638094230 351973970 /nfs/dbraw/zinc/97/39/70/351973970.db2.gz QMQDQFQLTMASPZ-NXEZZACHSA-N 0 3 240.297 3.107 20 0 BGADHN C[C@H]1CN(Cc2ccc(C(F)F)nc2)C[C@@H]1C ZINC000638094233 351973751 /nfs/dbraw/zinc/97/37/51/351973751.db2.gz QMQDQFQLTMASPZ-UWVGGRQHSA-N 0 3 240.297 3.107 20 0 BGADHN CC1=CCN(Cc2cccc3ncccc23)CC1 ZINC000638095193 351971717 /nfs/dbraw/zinc/97/17/17/351971717.db2.gz REAIHRIQUKCPQJ-UHFFFAOYSA-N 0 3 238.334 3.387 20 0 BGADHN CO[C@](C)(CN1Cc2ccccc2[C@@H]1C)C1CC1 ZINC000638095257 351972714 /nfs/dbraw/zinc/97/27/14/351972714.db2.gz RSECHAUPVWNFBV-BLLLJJGKSA-N 0 3 245.366 3.378 20 0 BGADHN CO[C@@](C)(CN1Cc2ccccc2[C@@H]1C)C1CC1 ZINC000638095265 351972424 /nfs/dbraw/zinc/97/24/24/351972424.db2.gz RSECHAUPVWNFBV-LRDDRELGSA-N 0 3 245.366 3.378 20 0 BGADHN CO[C@](C)(CN1Cc2ccccc2[C@H]1C)C1CC1 ZINC000638095266 351972769 /nfs/dbraw/zinc/97/27/69/351972769.db2.gz RSECHAUPVWNFBV-MLGOLLRUSA-N 0 3 245.366 3.378 20 0 BGADHN CO[C@@](C)(CN1Cc2ccccc2[C@H]1C)C1CC1 ZINC000638095267 351973040 /nfs/dbraw/zinc/97/30/40/351973040.db2.gz RSECHAUPVWNFBV-WBMJQRKESA-N 0 3 245.366 3.378 20 0 BGADHN C[C@@H]1CCC[C@@H](C)N(Cc2ccns2)C1 ZINC000638095534 351975326 /nfs/dbraw/zinc/97/53/26/351975326.db2.gz GCKMIRCVYVYPOL-GHMZBOCLSA-N 0 3 224.373 3.154 20 0 BGADHN C[C@@H]1CCC[C@H](C)N(Cc2ccns2)C1 ZINC000638095537 351975461 /nfs/dbraw/zinc/97/54/61/351975461.db2.gz GCKMIRCVYVYPOL-MNOVXSKESA-N 0 3 224.373 3.154 20 0 BGADHN C[C@H]1CCC[C@H](C)N(Cc2ccns2)C1 ZINC000638095538 351975619 /nfs/dbraw/zinc/97/56/19/351975619.db2.gz GCKMIRCVYVYPOL-QWRGUYRKSA-N 0 3 224.373 3.154 20 0 BGADHN C[C@@H]1CCC[C@H](C)CN1Cc1ccns1 ZINC000638095539 351975372 /nfs/dbraw/zinc/97/53/72/351975372.db2.gz GCKMIRCVYVYPOL-WDEREUQCSA-N 0 3 224.373 3.154 20 0 BGADHN CCN(Cc1ccnn1CC1CCC1)C1CCC1 ZINC000638099384 351978451 /nfs/dbraw/zinc/97/84/51/351978451.db2.gz HJJAHIQGEICLQR-UHFFFAOYSA-N 0 3 247.386 3.058 20 0 BGADHN CCN([C@H](C)c1cnc(C)nc1C)C1CCC1 ZINC000638100326 351980873 /nfs/dbraw/zinc/98/08/73/351980873.db2.gz LFEUGMNVHPIJJR-LLVKDONJSA-N 0 3 233.359 3.029 20 0 BGADHN CCN([C@@H](C)c1cnc(C)nc1C)C1CCC1 ZINC000638100327 351980780 /nfs/dbraw/zinc/98/07/80/351980780.db2.gz LFEUGMNVHPIJJR-NSHDSACASA-N 0 3 233.359 3.029 20 0 BGADHN CCN(Cc1c(OC)cccc1OC)C1CCC1 ZINC000638100419 351980824 /nfs/dbraw/zinc/98/08/24/351980824.db2.gz LVSCHWBUUVTCKQ-UHFFFAOYSA-N 0 3 249.354 3.078 20 0 BGADHN CCN(Cc1ccc(C(F)F)nc1)C1CCC1 ZINC000638103201 351982460 /nfs/dbraw/zinc/98/24/60/351982460.db2.gz ZHOLKUJLLWGRMW-UHFFFAOYSA-N 0 3 240.297 3.394 20 0 BGADHN C[C@@H]1C[C@@H](C)N(Cc2ccc(C(F)F)nc2)C1 ZINC000638109122 351986631 /nfs/dbraw/zinc/98/66/31/351986631.db2.gz CNNOYVBUNWTTAE-NXEZZACHSA-N 0 3 240.297 3.250 20 0 BGADHN C[C@H]1C[C@H](C)N(Cc2ccc(C(F)F)nc2)C1 ZINC000638109124 351986575 /nfs/dbraw/zinc/98/65/75/351986575.db2.gz CNNOYVBUNWTTAE-UWVGGRQHSA-N 0 3 240.297 3.250 20 0 BGADHN C[C@@H]1C[C@H](C)CN1Cc1ccc(C(F)F)nc1 ZINC000638109126 351986816 /nfs/dbraw/zinc/98/68/16/351986816.db2.gz CNNOYVBUNWTTAE-VHSXEESVSA-N 0 3 240.297 3.250 20 0 BGADHN C[C@@H]1C[C@H](C)N(Cc2ccc(C(F)F)nc2)C1 ZINC000638109127 351986508 /nfs/dbraw/zinc/98/65/08/351986508.db2.gz CNNOYVBUNWTTAE-ZJUUUORDSA-N 0 3 240.297 3.250 20 0 BGADHN COc1cncc(CN(C(C)C)C2CCC2)c1C ZINC000638109147 351986901 /nfs/dbraw/zinc/98/69/01/351986901.db2.gz CQPCSMQUZHOAPK-UHFFFAOYSA-N 0 3 248.370 3.162 20 0 BGADHN CC(C)N([C@H](c1nccn1C)C1CC1)C1CCC1 ZINC000638109412 351985464 /nfs/dbraw/zinc/98/54/64/351985464.db2.gz FAFYDVAQVLYLQI-AWEZNQCLSA-N 0 3 247.386 3.134 20 0 BGADHN CC(C)N([C@@H](c1nccn1C)C1CC1)C1CCC1 ZINC000638109413 351985309 /nfs/dbraw/zinc/98/53/09/351985309.db2.gz FAFYDVAQVLYLQI-CQSZACIVSA-N 0 3 247.386 3.134 20 0 BGADHN Cc1cccc(CN(C)CC2(C(C)C)CC2)n1 ZINC000638110854 351987166 /nfs/dbraw/zinc/98/71/66/351987166.db2.gz JRVIRQADQGPWAA-UHFFFAOYSA-N 0 3 232.371 3.258 20 0 BGADHN Cc1cc(CN(C(C)C)C2CCC2)sn1 ZINC000638111554 351989647 /nfs/dbraw/zinc/98/96/47/351989647.db2.gz UXVWQWARIOHMFG-UHFFFAOYSA-N 0 3 224.373 3.214 20 0 BGADHN CC1(C)CCCN(Cc2ccns2)CC1 ZINC000638118902 351992871 /nfs/dbraw/zinc/99/28/71/351992871.db2.gz ZNGUSXKGXMAIJL-UHFFFAOYSA-N 0 3 224.373 3.155 20 0 BGADHN c1cc(CN2CCC3(C2)CCCCC3)sn1 ZINC000638120276 351994597 /nfs/dbraw/zinc/99/45/97/351994597.db2.gz YWXQJJYIPYUBNJ-UHFFFAOYSA-N 0 3 236.384 3.299 20 0 BGADHN CCC[C@@H]1CCCN(Cc2ccns2)C1 ZINC000638121022 351995749 /nfs/dbraw/zinc/99/57/49/351995749.db2.gz CDFSSQKYHFFTTI-LLVKDONJSA-N 0 3 224.373 3.155 20 0 BGADHN CCC[C@H]1CCCN(Cc2ccns2)C1 ZINC000638121023 351995490 /nfs/dbraw/zinc/99/54/90/351995490.db2.gz CDFSSQKYHFFTTI-NSHDSACASA-N 0 3 224.373 3.155 20 0 BGADHN Cc1cc(CN2C3CCCC2CCC3)sn1 ZINC000638122570 351996361 /nfs/dbraw/zinc/99/63/61/351996361.db2.gz MMCVZSRWWJMTPO-UHFFFAOYSA-N 0 3 236.384 3.359 20 0 BGADHN c1cc(CN2C3CCCC2CCC3)sn1 ZINC000638123749 351996073 /nfs/dbraw/zinc/99/60/73/351996073.db2.gz RNRWSYCJVXQLNP-UHFFFAOYSA-N 0 3 222.357 3.050 20 0 BGADHN Nc1c(F)cccc1CN1C2CCCC1CCC2 ZINC000638125844 351996909 /nfs/dbraw/zinc/99/69/09/351996909.db2.gz ZYXCOUBNJXURDQ-UHFFFAOYSA-N 0 3 248.345 3.315 20 0 BGADHN Fc1cccc([C@@H]2CCN2CCC[C@@H]2CCO2)c1 ZINC000638126648 351997666 /nfs/dbraw/zinc/99/76/66/351997666.db2.gz AEEAJHZIEVUNFF-CABCVRRESA-N 0 3 249.329 3.142 20 0 BGADHN Fc1cccc([C@@H]2CCN2CCC[C@H]2CCO2)c1 ZINC000638126657 351998248 /nfs/dbraw/zinc/99/82/48/351998248.db2.gz AEEAJHZIEVUNFF-GJZGRUSLSA-N 0 3 249.329 3.142 20 0 BGADHN Fc1cccc([C@H]2CCN2CCC[C@@H]2CCO2)c1 ZINC000638126660 351997939 /nfs/dbraw/zinc/99/79/39/351997939.db2.gz AEEAJHZIEVUNFF-HUUCEWRRSA-N 0 3 249.329 3.142 20 0 BGADHN Fc1cccc([C@H]2CCN2CCC[C@H]2CCO2)c1 ZINC000638126663 351998028 /nfs/dbraw/zinc/99/80/28/351998028.db2.gz AEEAJHZIEVUNFF-LSDHHAIUSA-N 0 3 249.329 3.142 20 0 BGADHN CC[C@]1(C)CCN(Cc2cc(C)ns2)C1 ZINC000638134461 352002939 /nfs/dbraw/zinc/00/29/39/352002939.db2.gz NBKCXPHBGGEHAW-GFCCVEGCSA-N 0 3 224.373 3.074 20 0 BGADHN CC[C@@]1(C)CCN(Cc2cc(C)ns2)C1 ZINC000638134462 352002778 /nfs/dbraw/zinc/00/27/78/352002778.db2.gz NBKCXPHBGGEHAW-LBPRGKRZSA-N 0 3 224.373 3.074 20 0 BGADHN CC[C@H](C)CN(CC)Cc1ccns1 ZINC000638151778 352012151 /nfs/dbraw/zinc/01/21/51/352012151.db2.gz ALZKNSQFVSWLOJ-JTQLQIEISA-N 0 3 212.362 3.011 20 0 BGADHN CC[C@@H](C)CN(CC)Cc1ccns1 ZINC000638151780 352012009 /nfs/dbraw/zinc/01/20/09/352012009.db2.gz ALZKNSQFVSWLOJ-SNVBAGLBSA-N 0 3 212.362 3.011 20 0 BGADHN CC[C@H](C)CN(CC)[C@@H](c1nccn1C)C1CC1 ZINC000638154189 352014507 /nfs/dbraw/zinc/01/45/07/352014507.db2.gz NCFLONDJAHHPQH-GXTWGEPZSA-N 0 3 249.402 3.239 20 0 BGADHN CC[C@H](C)CN(CC)[C@H](c1nccn1C)C1CC1 ZINC000638154191 352014436 /nfs/dbraw/zinc/01/44/36/352014436.db2.gz NCFLONDJAHHPQH-JSGCOSHPSA-N 0 3 249.402 3.239 20 0 BGADHN CC[C@@H](C)CN(CC)[C@H](c1nccn1C)C1CC1 ZINC000638154195 352014303 /nfs/dbraw/zinc/01/43/03/352014303.db2.gz NCFLONDJAHHPQH-OCCSQVGLSA-N 0 3 249.402 3.239 20 0 BGADHN CC[C@@H](C)CN(CC)[C@@H](c1nccn1C)C1CC1 ZINC000638154197 352014652 /nfs/dbraw/zinc/01/46/52/352014652.db2.gz NCFLONDJAHHPQH-TZMCWYRMSA-N 0 3 249.402 3.239 20 0 BGADHN C[C@@H]1CCN(Cc2ccc(C(F)F)nc2)[C@@H]1C ZINC000638163610 352028223 /nfs/dbraw/zinc/02/82/23/352028223.db2.gz SJAUIVIZBGSBIE-NXEZZACHSA-N 0 3 240.297 3.250 20 0 BGADHN C[C@H]1CCN(Cc2ccc(C(F)F)nc2)[C@H]1C ZINC000638163611 352028283 /nfs/dbraw/zinc/02/82/83/352028283.db2.gz SJAUIVIZBGSBIE-UWVGGRQHSA-N 0 3 240.297 3.250 20 0 BGADHN C[C@@H]1[C@@H](C)CCN1Cc1ccc(C(F)F)nc1 ZINC000638163612 352027958 /nfs/dbraw/zinc/02/79/58/352027958.db2.gz SJAUIVIZBGSBIE-VHSXEESVSA-N 0 3 240.297 3.250 20 0 BGADHN C[C@@H]1CCN(Cc2ccc(C(F)F)nc2)[C@H]1C ZINC000638163613 352027888 /nfs/dbraw/zinc/02/78/88/352027888.db2.gz SJAUIVIZBGSBIE-ZJUUUORDSA-N 0 3 240.297 3.250 20 0 BGADHN COc1cncc(CN(C)[C@H](C)C2(C)CC2)c1C ZINC000638168866 352033235 /nfs/dbraw/zinc/03/32/35/352033235.db2.gz CDKXAWMZNVPVPD-GFCCVEGCSA-N 0 3 248.370 3.019 20 0 BGADHN COc1cncc(CN(C)[C@@H](C)C2(C)CC2)c1C ZINC000638168867 352032967 /nfs/dbraw/zinc/03/29/67/352032967.db2.gz CDKXAWMZNVPVPD-LBPRGKRZSA-N 0 3 248.370 3.019 20 0 BGADHN Cc1ncc([C@H](C)N2[C@H](C)CC[C@H]2C)c(C)n1 ZINC000638170323 352034599 /nfs/dbraw/zinc/03/45/99/352034599.db2.gz FQKIDFVAUKFOOV-FOGDFJRCSA-N 0 3 233.359 3.027 20 0 BGADHN Cc1ncc([C@@H](C)N2[C@H](C)CC[C@@H]2C)c(C)n1 ZINC000638170324 352034413 /nfs/dbraw/zinc/03/44/13/352034413.db2.gz FQKIDFVAUKFOOV-JFGNBEQYSA-N 0 3 233.359 3.027 20 0 BGADHN Cc1ncc([C@H](C)N2[C@@H](C)CC[C@@H]2C)c(C)n1 ZINC000638170325 352034368 /nfs/dbraw/zinc/03/43/68/352034368.db2.gz FQKIDFVAUKFOOV-NHCYSSNCSA-N 0 3 233.359 3.027 20 0 BGADHN Cc1ncc([C@H](C)N2[C@H](C)CC[C@@H]2C)c(C)n1 ZINC000638170326 352034359 /nfs/dbraw/zinc/03/43/59/352034359.db2.gz FQKIDFVAUKFOOV-UMNHJUIQSA-N 0 3 233.359 3.027 20 0 BGADHN C[C@@H]1CC[C@H](C)N1Cc1ccc(C(F)F)nc1 ZINC000638170448 352034311 /nfs/dbraw/zinc/03/43/11/352034311.db2.gz FVNZOIBDNGNYLG-AOOOYVTPSA-N 0 3 240.297 3.392 20 0 BGADHN C[C@@H]1CC[C@@H](C)N1Cc1ccc(C(F)F)nc1 ZINC000638170451 352034375 /nfs/dbraw/zinc/03/43/75/352034375.db2.gz FVNZOIBDNGNYLG-NXEZZACHSA-N 0 3 240.297 3.392 20 0 BGADHN C[C@H]1CC[C@H](C)N1Cc1ccc(C(F)F)nc1 ZINC000638170452 352034757 /nfs/dbraw/zinc/03/47/57/352034757.db2.gz FVNZOIBDNGNYLG-UWVGGRQHSA-N 0 3 240.297 3.392 20 0 BGADHN Cc1cc(CN(C)[C@@H](C)C2(C)CC2)sn1 ZINC000638170587 352034986 /nfs/dbraw/zinc/03/49/86/352034986.db2.gz LUXHMWRMBGQOLC-JTQLQIEISA-N 0 3 224.373 3.072 20 0 BGADHN Cc1cc(CN(C)[C@H](C)C2(C)CC2)sn1 ZINC000638170590 352035368 /nfs/dbraw/zinc/03/53/68/352035368.db2.gz LUXHMWRMBGQOLC-SNVBAGLBSA-N 0 3 224.373 3.072 20 0 BGADHN Cc1ncc([C@@H](C)N(C)[C@@H](C)C2(C)CC2)c(C)n1 ZINC000638170758 352034041 /nfs/dbraw/zinc/03/40/41/352034041.db2.gz MUFUOMFVSJQKQR-NEPJUHHUSA-N 0 3 247.386 3.275 20 0 BGADHN Cc1ncc([C@H](C)N(C)[C@H](C)C2(C)CC2)c(C)n1 ZINC000638170759 352033465 /nfs/dbraw/zinc/03/34/65/352033465.db2.gz MUFUOMFVSJQKQR-NWDGAFQWSA-N 0 3 247.386 3.275 20 0 BGADHN Cc1ncc([C@H](C)N(C)[C@@H](C)C2(C)CC2)c(C)n1 ZINC000638170761 352033750 /nfs/dbraw/zinc/03/37/50/352033750.db2.gz MUFUOMFVSJQKQR-RYUDHWBXSA-N 0 3 247.386 3.275 20 0 BGADHN Cc1ncc([C@@H](C)N(C)[C@H](C)C2(C)CC2)c(C)n1 ZINC000638170763 352033456 /nfs/dbraw/zinc/03/34/56/352033456.db2.gz MUFUOMFVSJQKQR-VXGBXAGGSA-N 0 3 247.386 3.275 20 0 BGADHN CC[C@H]1CCN(Cc2ccc(C(F)F)nc2)C1 ZINC000638171215 352037895 /nfs/dbraw/zinc/03/78/95/352037895.db2.gz PONPPNQYPSCVLE-JTQLQIEISA-N 0 3 240.297 3.251 20 0 BGADHN CC[C@@H]1CCN(Cc2ccc(C(F)F)nc2)C1 ZINC000638171218 352038126 /nfs/dbraw/zinc/03/81/26/352038126.db2.gz PONPPNQYPSCVLE-SNVBAGLBSA-N 0 3 240.297 3.251 20 0 BGADHN C[C@@H]1C[C@H](C)CCN(Cc2ccns2)C1 ZINC000638172067 352038604 /nfs/dbraw/zinc/03/86/04/352038604.db2.gz ZFSNLRHKXUSOHH-GHMZBOCLSA-N 0 3 224.373 3.011 20 0 BGADHN C[C@@H]1CCN(Cc2ccns2)C[C@@H](C)C1 ZINC000638172070 352038755 /nfs/dbraw/zinc/03/87/55/352038755.db2.gz ZFSNLRHKXUSOHH-MNOVXSKESA-N 0 3 224.373 3.011 20 0 BGADHN C[C@H]1CCN(Cc2ccns2)C[C@@H](C)C1 ZINC000638172071 352039162 /nfs/dbraw/zinc/03/91/62/352039162.db2.gz ZFSNLRHKXUSOHH-QWRGUYRKSA-N 0 3 224.373 3.011 20 0 BGADHN C[C@H]1CCN(Cc2ccns2)C[C@H](C)C1 ZINC000638172074 352039014 /nfs/dbraw/zinc/03/90/14/352039014.db2.gz ZFSNLRHKXUSOHH-WDEREUQCSA-N 0 3 224.373 3.011 20 0 BGADHN C[C@@H]1CC[C@H](C)N1Cc1ccnn1CC1CCC1 ZINC000638173158 352036991 /nfs/dbraw/zinc/03/69/91/352036991.db2.gz UQAOMEVVJZGDEL-BETUJISGSA-N 0 3 247.386 3.056 20 0 BGADHN C[C@@H]1CC[C@@H](C)N1Cc1ccnn1CC1CCC1 ZINC000638173159 352036975 /nfs/dbraw/zinc/03/69/75/352036975.db2.gz UQAOMEVVJZGDEL-CHWSQXEVSA-N 0 3 247.386 3.056 20 0 BGADHN C[C@H]1CC[C@H](C)N1Cc1ccnn1CC1CCC1 ZINC000638173160 352037307 /nfs/dbraw/zinc/03/73/07/352037307.db2.gz UQAOMEVVJZGDEL-STQMWFEESA-N 0 3 247.386 3.056 20 0 BGADHN COC(C)(C)CN(C)Cc1csc(C)c1C ZINC000638174124 352043028 /nfs/dbraw/zinc/04/30/28/352043028.db2.gz NQXRFLBIFRCKEJ-UHFFFAOYSA-N 0 3 241.400 3.222 20 0 BGADHN FC(F)c1ccc(CN2CCCCC2)cn1 ZINC000638182318 352048985 /nfs/dbraw/zinc/04/89/85/352048985.db2.gz MFXIEDGKDRXNAS-UHFFFAOYSA-N 0 3 226.270 3.005 20 0 BGADHN CN(CCC1CC1)Cc1ccc(C(F)F)nc1 ZINC000638184593 352052102 /nfs/dbraw/zinc/05/21/02/352052102.db2.gz YSJAASJENKNFHJ-UHFFFAOYSA-N 0 3 240.297 3.251 20 0 BGADHN CC(C)[C@H]1CCN1Cc1ccc(C(F)F)nc1 ZINC000638273459 352111154 /nfs/dbraw/zinc/11/11/54/352111154.db2.gz BFFMDNQLJSELOB-GFCCVEGCSA-N 0 3 240.297 3.250 20 0 BGADHN CC(C)[C@@H]1CCN1Cc1ccc(C(F)F)nc1 ZINC000638273460 352110609 /nfs/dbraw/zinc/11/06/09/352110609.db2.gz BFFMDNQLJSELOB-LBPRGKRZSA-N 0 3 240.297 3.250 20 0 BGADHN COc1cccc(C)c1CNCc1cccs1 ZINC000638280268 352118800 /nfs/dbraw/zinc/11/88/00/352118800.db2.gz BVSSIMDNFJBGKQ-UHFFFAOYSA-N 0 3 247.363 3.355 20 0 BGADHN Clc1ccc(CNC[C@@H]2C[C@H]3C[C@H]3C2)o1 ZINC000638283966 352119896 /nfs/dbraw/zinc/11/98/96/352119896.db2.gz XRBWBRPMMLITLQ-ILWJIGKKSA-N 0 3 225.719 3.069 20 0 BGADHN CC(C)CC[C@@H](C)NCc1cc(C2CC2)no1 ZINC000638288893 352126062 /nfs/dbraw/zinc/12/60/62/352126062.db2.gz DTQHGSKGKCFSKZ-LLVKDONJSA-N 0 3 236.359 3.466 20 0 BGADHN CC(C)CC[C@H](C)NCc1cc(C2CC2)no1 ZINC000638288894 352126162 /nfs/dbraw/zinc/12/61/62/352126162.db2.gz DTQHGSKGKCFSKZ-NSHDSACASA-N 0 3 236.359 3.466 20 0 BGADHN c1c(CNCC2CCCCC2)onc1C1CC1 ZINC000638289336 352124947 /nfs/dbraw/zinc/12/49/47/352124947.db2.gz NYOJTVSJDMBHRX-UHFFFAOYSA-N 0 3 234.343 3.222 20 0 BGADHN COc1cccc(C)c1CNCc1ccccc1 ZINC000638291906 352128035 /nfs/dbraw/zinc/12/80/35/352128035.db2.gz CDAGHGGFOJBNMF-UHFFFAOYSA-N 0 3 241.334 3.293 20 0 BGADHN CC1(NCc2cc(C3CC3)no2)CCCCC1 ZINC000638305704 352134938 /nfs/dbraw/zinc/13/49/38/352134938.db2.gz FXCFDDOLFXKETD-UHFFFAOYSA-N 0 3 234.343 3.364 20 0 BGADHN Cn1ccnc1[C@H](NC1(C)CCCCC1)C1CC1 ZINC000638305964 352134530 /nfs/dbraw/zinc/13/45/30/352134530.db2.gz ISHDLBHDROGQSY-CYBMUJFWSA-N 0 3 247.386 3.184 20 0 BGADHN Cn1ccnc1[C@@H](NC1(C)CCCCC1)C1CC1 ZINC000638305976 352134784 /nfs/dbraw/zinc/13/47/84/352134784.db2.gz ISHDLBHDROGQSY-ZDUSSCGKSA-N 0 3 247.386 3.184 20 0 BGADHN CC1(NCc2nc3ccccc3o2)CCCC1 ZINC000638306558 352136171 /nfs/dbraw/zinc/13/61/71/352136171.db2.gz NZXIRSVZWYZGRC-UHFFFAOYSA-N 0 3 230.311 3.250 20 0 BGADHN c1c(CNC2CCCCCC2)onc1C1CC1 ZINC000638314276 352139207 /nfs/dbraw/zinc/13/92/07/352139207.db2.gz AKROZMCFMOYENE-UHFFFAOYSA-N 0 3 234.343 3.364 20 0 BGADHN CC(C)NCc1cc(Cl)cc(Cl)c1N ZINC000638324428 352145807 /nfs/dbraw/zinc/14/58/07/352145807.db2.gz QWXZDNYPHHDBRR-UHFFFAOYSA-N 0 3 233.142 3.074 20 0 BGADHN CC(C)NCc1ccc2ccc(F)c(F)c2n1 ZINC000638324934 352145972 /nfs/dbraw/zinc/14/59/72/352145972.db2.gz WOFDAJDJYRRNLM-UHFFFAOYSA-N 0 3 236.265 3.011 20 0 BGADHN CCC(CC)CNCc1nc2ccccc2o1 ZINC000638327965 352147346 /nfs/dbraw/zinc/14/73/46/352147346.db2.gz DLIRAOCZEMBSSH-UHFFFAOYSA-N 0 3 232.327 3.354 20 0 BGADHN CC1=C(C)C[C@H]([C@@H](C)NCc2cc[nH]n2)CC1 ZINC000638327983 352147844 /nfs/dbraw/zinc/14/78/44/352147844.db2.gz DYYGFAMSYJIRDI-CHWSQXEVSA-N 0 3 233.359 3.024 20 0 BGADHN CC1=C(C)C[C@@H]([C@@H](C)NCc2cc[nH]n2)CC1 ZINC000638327986 352147780 /nfs/dbraw/zinc/14/77/80/352147780.db2.gz DYYGFAMSYJIRDI-OLZOCXBDSA-N 0 3 233.359 3.024 20 0 BGADHN CC1=C(C)C[C@H]([C@H](C)NCc2cc[nH]n2)CC1 ZINC000638327988 352147380 /nfs/dbraw/zinc/14/73/80/352147380.db2.gz DYYGFAMSYJIRDI-QWHCGFSZSA-N 0 3 233.359 3.024 20 0 BGADHN CC1=C(C)C[C@@H]([C@H](C)NCc2cc[nH]n2)CC1 ZINC000638327990 352147759 /nfs/dbraw/zinc/14/77/59/352147759.db2.gz DYYGFAMSYJIRDI-STQMWFEESA-N 0 3 233.359 3.024 20 0 BGADHN c1c(CNCCC2CCCC2)onc1C1CC1 ZINC000638328724 352146980 /nfs/dbraw/zinc/14/69/80/352146980.db2.gz KEMVKICOERURJE-UHFFFAOYSA-N 0 3 234.343 3.222 20 0 BGADHN CC(C)CCCNCc1cc(C2CC2)no1 ZINC000638328969 352146737 /nfs/dbraw/zinc/14/67/37/352146737.db2.gz OEFCULXZCIHDQQ-UHFFFAOYSA-N 0 3 222.332 3.078 20 0 BGADHN CCC(CC)CNCc1cc(C2CC2)no1 ZINC000638329747 352150004 /nfs/dbraw/zinc/15/00/04/352150004.db2.gz QYOJZAHISDAKLZ-UHFFFAOYSA-N 0 3 222.332 3.078 20 0 BGADHN C[C@H]1CCC[C@@H](NCc2cc(C3CC3)no2)C1 ZINC000638332895 352150975 /nfs/dbraw/zinc/15/09/75/352150975.db2.gz MJJFXRWEWLAIBQ-CMPLNLGQSA-N 0 3 234.343 3.220 20 0 BGADHN C[C@H]1CCC[C@H](NCc2cc(C3CC3)no2)C1 ZINC000638332896 352150918 /nfs/dbraw/zinc/15/09/18/352150918.db2.gz MJJFXRWEWLAIBQ-JQWIXIFHSA-N 0 3 234.343 3.220 20 0 BGADHN C[C@@H]1CCC[C@H](NCc2cc(C3CC3)no2)C1 ZINC000638332897 352151136 /nfs/dbraw/zinc/15/11/36/352151136.db2.gz MJJFXRWEWLAIBQ-PWSUYJOCSA-N 0 3 234.343 3.220 20 0 BGADHN C[C@@H]1CCC[C@@H](NCc2cc(C3CC3)no2)C1 ZINC000638332898 352151027 /nfs/dbraw/zinc/15/10/27/352151027.db2.gz MJJFXRWEWLAIBQ-ZYHUDNBSSA-N 0 3 234.343 3.220 20 0 BGADHN CC(C)(C)CCNCc1nc2ccccc2o1 ZINC000638344649 352163718 /nfs/dbraw/zinc/16/37/18/352163718.db2.gz UQXPGIWXKKHFPH-UHFFFAOYSA-N 0 3 232.327 3.354 20 0 BGADHN CC(C)(C)CCNCc1cc(C2CC2)no1 ZINC000638346190 352164998 /nfs/dbraw/zinc/16/49/98/352164998.db2.gz ZGHQGAXJFKGJIG-UHFFFAOYSA-N 0 3 222.332 3.078 20 0 BGADHN CC(C)=C(C)CC(=O)Nc1cc(C)cc(CN)c1 ZINC000638365273 352176019 /nfs/dbraw/zinc/17/60/19/352176019.db2.gz XRMUNHZAQTZNAD-UHFFFAOYSA-N 0 3 246.354 3.139 20 0 BGADHN Cc1ccc(CCNCc2cccc(C)n2)cc1 ZINC000638372776 352182899 /nfs/dbraw/zinc/18/28/99/352182899.db2.gz FZMUNEXPVTUSPP-UHFFFAOYSA-N 0 3 240.350 3.031 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CNCCC[C@@H]2CCO2)o1 ZINC000638384673 352195110 /nfs/dbraw/zinc/19/51/10/352195110.db2.gz GQLWVDYALIYSTD-BZPMIXESSA-N 0 3 249.354 3.062 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CNCCC[C@H]2CCO2)o1 ZINC000638384674 352195051 /nfs/dbraw/zinc/19/50/51/352195051.db2.gz GQLWVDYALIYSTD-DYEKYZERSA-N 0 3 249.354 3.062 20 0 BGADHN C[C@@H]1C[C@H]1c1ccc(CNCCC[C@H]2CCO2)o1 ZINC000638384675 352195326 /nfs/dbraw/zinc/19/53/26/352195326.db2.gz GQLWVDYALIYSTD-MBNYWOFBSA-N 0 3 249.354 3.062 20 0 BGADHN C[C@@H]1C[C@H]1c1ccc(CNCCC[C@@H]2CCO2)o1 ZINC000638384676 352195340 /nfs/dbraw/zinc/19/53/40/352195340.db2.gz GQLWVDYALIYSTD-YRGRVCCFSA-N 0 3 249.354 3.062 20 0 BGADHN CC1CCC(CNCc2cc(C3CC3)no2)CC1 ZINC000638411821 352221109 /nfs/dbraw/zinc/22/11/09/352221109.db2.gz SEMRZEHEHIGVEK-UHFFFAOYSA-N 0 3 248.370 3.468 20 0 BGADHN C[C@@H]1CCC[C@H](CNCc2cc(C3CC3)no2)C1 ZINC000638412259 352218487 /nfs/dbraw/zinc/21/84/87/352218487.db2.gz WNLGJFBXQSRSPI-NEPJUHHUSA-N 0 3 248.370 3.468 20 0 BGADHN C[C@H]1CCC[C@@H](CNCc2cc(C3CC3)no2)C1 ZINC000638412262 352218808 /nfs/dbraw/zinc/21/88/08/352218808.db2.gz WNLGJFBXQSRSPI-NWDGAFQWSA-N 0 3 248.370 3.468 20 0 BGADHN C[C@H]1CCC[C@H](CNCc2cc(C3CC3)no2)C1 ZINC000638412264 352219431 /nfs/dbraw/zinc/21/94/31/352219431.db2.gz WNLGJFBXQSRSPI-RYUDHWBXSA-N 0 3 248.370 3.468 20 0 BGADHN C[C@@H]1CCC[C@@H](CNCc2cc(C3CC3)no2)C1 ZINC000638412268 352219716 /nfs/dbraw/zinc/21/97/16/352219716.db2.gz WNLGJFBXQSRSPI-VXGBXAGGSA-N 0 3 248.370 3.468 20 0 BGADHN Cc1cc(CNC2CCC(=C3CCC3)CC2)no1 ZINC000638420193 352230655 /nfs/dbraw/zinc/23/06/55/352230655.db2.gz LVWGBTBBFXRQQV-UHFFFAOYSA-N 0 3 246.354 3.496 20 0 BGADHN C[C@H]1CCCC[C@H]1CNCc1cc(C2CC2)no1 ZINC000638423432 352231240 /nfs/dbraw/zinc/23/12/40/352231240.db2.gz VADWYSFHHSQRBD-AAEUAGOBSA-N 0 3 248.370 3.468 20 0 BGADHN C[C@@H]1CCCC[C@@H]1CNCc1cc(C2CC2)no1 ZINC000638423433 352231378 /nfs/dbraw/zinc/23/13/78/352231378.db2.gz VADWYSFHHSQRBD-DGCLKSJQSA-N 0 3 248.370 3.468 20 0 BGADHN C[C@H]1CCCC[C@@H]1CNCc1cc(C2CC2)no1 ZINC000638423434 352231312 /nfs/dbraw/zinc/23/13/12/352231312.db2.gz VADWYSFHHSQRBD-WCQYABFASA-N 0 3 248.370 3.468 20 0 BGADHN C[C@@H]1CCCC[C@H]1CNCc1cc(C2CC2)no1 ZINC000638423435 352231120 /nfs/dbraw/zinc/23/11/20/352231120.db2.gz VADWYSFHHSQRBD-YPMHNXCESA-N 0 3 248.370 3.468 20 0 BGADHN CC[C@@H](NCc1cc(C2CC2)no1)C(C)C ZINC000638428707 352237270 /nfs/dbraw/zinc/23/72/70/352237270.db2.gz YFECESQRILKWSN-GFCCVEGCSA-N 0 3 222.332 3.076 20 0 BGADHN CC[C@H](NCc1cc(C2CC2)no1)C(C)C ZINC000638428715 352237079 /nfs/dbraw/zinc/23/70/79/352237079.db2.gz YFECESQRILKWSN-LBPRGKRZSA-N 0 3 222.332 3.076 20 0 BGADHN Cc1ccc(CCNCc2ccns2)c(C)c1 ZINC000638440466 352250653 /nfs/dbraw/zinc/25/06/53/352250653.db2.gz VKVPYGTVHOJGRM-UHFFFAOYSA-N 0 3 246.379 3.092 20 0 BGADHN c1ccc2oc(CNC[C@@H]3CC=CCC3)nc2c1 ZINC000638449881 352260455 /nfs/dbraw/zinc/26/04/55/352260455.db2.gz IKIIAJLPDMXZSR-GFCCVEGCSA-N 0 3 242.322 3.274 20 0 BGADHN c1ccc2oc(CNC[C@H]3CC=CCC3)nc2c1 ZINC000638449895 352260651 /nfs/dbraw/zinc/26/06/51/352260651.db2.gz IKIIAJLPDMXZSR-LBPRGKRZSA-N 0 3 242.322 3.274 20 0 BGADHN CC[C@@H](C)c1cccc(NC(=O)CNC(C)C)c1 ZINC000638466621 352277710 /nfs/dbraw/zinc/27/77/10/352277710.db2.gz HHZNXVOZXVPDGM-GFCCVEGCSA-N 0 3 248.370 3.137 20 0 BGADHN CC[C@H](C)c1cccc(NC(=O)CNC(C)C)c1 ZINC000638466626 352277649 /nfs/dbraw/zinc/27/76/49/352277649.db2.gz HHZNXVOZXVPDGM-LBPRGKRZSA-N 0 3 248.370 3.137 20 0 BGADHN CCN[C@@H](C)C(=O)Nc1cccc([C@H](C)CC)c1 ZINC000638466752 352277643 /nfs/dbraw/zinc/27/76/43/352277643.db2.gz IWZANNSTHCHEIW-NEPJUHHUSA-N 0 3 248.370 3.137 20 0 BGADHN CCN[C@H](C)C(=O)Nc1cccc([C@@H](C)CC)c1 ZINC000638466755 352277718 /nfs/dbraw/zinc/27/77/18/352277718.db2.gz IWZANNSTHCHEIW-NWDGAFQWSA-N 0 3 248.370 3.137 20 0 BGADHN CCN[C@@H](C)C(=O)Nc1cccc([C@@H](C)CC)c1 ZINC000638466757 352277662 /nfs/dbraw/zinc/27/76/62/352277662.db2.gz IWZANNSTHCHEIW-RYUDHWBXSA-N 0 3 248.370 3.137 20 0 BGADHN CCN[C@H](C)C(=O)Nc1cccc([C@H](C)CC)c1 ZINC000638466758 352277505 /nfs/dbraw/zinc/27/75/05/352277505.db2.gz IWZANNSTHCHEIW-VXGBXAGGSA-N 0 3 248.370 3.137 20 0 BGADHN CC[C@@H](C)c1cccc(NC(=O)[C@@H](CC)NC)c1 ZINC000638467616 352279857 /nfs/dbraw/zinc/27/98/57/352279857.db2.gz NPWAGHHKLOABKR-BXUZGUMPSA-N 0 3 248.370 3.137 20 0 BGADHN CC[C@H](C)c1cccc(NC(=O)[C@H](CC)NC)c1 ZINC000638467618 352279790 /nfs/dbraw/zinc/27/97/90/352279790.db2.gz NPWAGHHKLOABKR-FZMZJTMJSA-N 0 3 248.370 3.137 20 0 BGADHN CC[C@@H](C)c1cccc(NC(=O)[C@H](CC)NC)c1 ZINC000638467619 352279851 /nfs/dbraw/zinc/27/98/51/352279851.db2.gz NPWAGHHKLOABKR-RISCZKNCSA-N 0 3 248.370 3.137 20 0 BGADHN CC[C@@H](NC)C(=O)Nc1cccc([C@@H](C)CC)c1 ZINC000638467620 352279930 /nfs/dbraw/zinc/27/99/30/352279930.db2.gz NPWAGHHKLOABKR-SMDDNHRTSA-N 0 3 248.370 3.137 20 0 BGADHN CC[C@@H](C)c1cccc(NC(=O)[C@H](N)C(C)C)c1 ZINC000638469291 352278376 /nfs/dbraw/zinc/27/83/76/352278376.db2.gz VWOPKCCMOSVWLO-BXUZGUMPSA-N 0 3 248.370 3.122 20 0 BGADHN CC[C@H](C)c1cccc(NC(=O)[C@H](N)C(C)C)c1 ZINC000638469292 352278400 /nfs/dbraw/zinc/27/84/00/352278400.db2.gz VWOPKCCMOSVWLO-SMDDNHRTSA-N 0 3 248.370 3.122 20 0 BGADHN CC[C@@H](C)c1cccc(NC(=O)C2(N)CCC2)c1 ZINC000638469621 352279228 /nfs/dbraw/zinc/27/92/28/352279228.db2.gz YWTUVGZNAOCPRA-LLVKDONJSA-N 0 3 246.354 3.020 20 0 BGADHN CC[C@H](C)c1cccc(NC(=O)C2(N)CCC2)c1 ZINC000638469622 352279038 /nfs/dbraw/zinc/27/90/38/352279038.db2.gz YWTUVGZNAOCPRA-NSHDSACASA-N 0 3 246.354 3.020 20 0 BGADHN CCCC(C)(C)N[C@@H](c1nccn1C)C1CC1 ZINC000638525009 352358729 /nfs/dbraw/zinc/35/87/29/352358729.db2.gz DZCWFHDFNUAKCV-GFCCVEGCSA-N 0 3 235.375 3.040 20 0 BGADHN CCCC(C)(C)N[C@H](c1nccn1C)C1CC1 ZINC000638525011 352358610 /nfs/dbraw/zinc/35/86/10/352358610.db2.gz DZCWFHDFNUAKCV-LBPRGKRZSA-N 0 3 235.375 3.040 20 0 BGADHN CC(C)C(C)(C)NCc1cc(C2CC2)no1 ZINC000638525548 352359287 /nfs/dbraw/zinc/35/92/87/352359287.db2.gz RSVKXMABCPGRIV-UHFFFAOYSA-N 0 3 222.332 3.076 20 0 BGADHN CC[C@@](C)(CNC1(c2ccccc2)CC1)OC ZINC000638528868 352362282 /nfs/dbraw/zinc/36/22/82/352362282.db2.gz HBXCCTAIRMFBKD-AWEZNQCLSA-N 0 3 233.355 3.080 20 0 BGADHN CC[C@](C)(CNC1(c2ccccc2)CC1)OC ZINC000638528869 352362096 /nfs/dbraw/zinc/36/20/96/352362096.db2.gz HBXCCTAIRMFBKD-CQSZACIVSA-N 0 3 233.355 3.080 20 0 BGADHN CCC[C@@H](CNC1(c2ccccc2)CC1)OC ZINC000638529985 352363016 /nfs/dbraw/zinc/36/30/16/352363016.db2.gz VXIPHVKMKJVVBR-AWEZNQCLSA-N 0 3 233.355 3.080 20 0 BGADHN CCC[C@H](CNC1(c2ccccc2)CC1)OC ZINC000638529986 352362840 /nfs/dbraw/zinc/36/28/40/352362840.db2.gz VXIPHVKMKJVVBR-CQSZACIVSA-N 0 3 233.355 3.080 20 0 BGADHN Cc1nnsc1CNCCCCC(C)(C)C ZINC000638538676 352369120 /nfs/dbraw/zinc/36/91/20/352369120.db2.gz USOYUEOEDLHKQF-UHFFFAOYSA-N 0 3 241.404 3.153 20 0 BGADHN CCC[C@@H](CC)NCc1nc2ccccc2o1 ZINC000638568168 385957460 /nfs/dbraw/zinc/95/74/60/385957460.db2.gz VWNYOFBVQCPUQS-LLVKDONJSA-N 0 3 232.327 3.496 20 0 BGADHN CCC[C@H](CC)NCc1nc2ccccc2o1 ZINC000638568169 385957846 /nfs/dbraw/zinc/95/78/46/385957846.db2.gz VWNYOFBVQCPUQS-NSHDSACASA-N 0 3 232.327 3.496 20 0 BGADHN CCC[C@@H](CC)NCc1cc(C2CC2)no1 ZINC000638568210 385957723 /nfs/dbraw/zinc/95/77/23/385957723.db2.gz XEJCGODYRBXFHI-LLVKDONJSA-N 0 3 222.332 3.220 20 0 BGADHN CCC[C@H](CC)NCc1cc(C2CC2)no1 ZINC000638568211 385957424 /nfs/dbraw/zinc/95/74/24/385957424.db2.gz XEJCGODYRBXFHI-NSHDSACASA-N 0 3 222.332 3.220 20 0 BGADHN C[C@H]1CC[C@H](NCc2nc3ccccc3o2)CC1 ZINC000638585680 352415106 /nfs/dbraw/zinc/41/51/06/352415106.db2.gz FPTXWYGBZZTNAK-HAQNSBGRSA-N 0 3 244.338 3.496 20 0 BGADHN C[C@H]1CC[C@H](NCc2cc(C3CC3)no2)CC1 ZINC000638585933 352416048 /nfs/dbraw/zinc/41/60/48/352416048.db2.gz MJMVLWUOSATRBM-UMSPYCQHSA-N 0 3 234.343 3.220 20 0 BGADHN CC1(CNCc2nc3ccccc3o2)CCCC1 ZINC000638588270 386058736 /nfs/dbraw/zinc/05/87/36/386058736.db2.gz NCOXCAWCQJVIOB-UHFFFAOYSA-N 0 3 244.338 3.498 20 0 BGADHN CC1(CNCc2cc(C3CC3)no2)CCCC1 ZINC000638588983 352419865 /nfs/dbraw/zinc/41/98/65/352419865.db2.gz WXHPRSVJIOJWJU-UHFFFAOYSA-N 0 3 234.343 3.222 20 0 BGADHN CC(C)c1cc(CNCC2(C(C)C)CC2)on1 ZINC000638596870 352428551 /nfs/dbraw/zinc/42/85/51/352428551.db2.gz RWZUIQVQKLBZDN-UHFFFAOYSA-N 0 3 236.359 3.324 20 0 BGADHN CC(C)c1cc(CNC[C@@H]2CC[C@H]3C[C@H]3C2)on1 ZINC000638597503 352429060 /nfs/dbraw/zinc/42/90/60/352429060.db2.gz YFPIRBFDZYSKBP-FRRDWIJNSA-N 0 3 248.370 3.324 20 0 BGADHN CC(C)c1cc(CNC[C@@H]2CC[C@@H]3C[C@@H]3C2)on1 ZINC000638597505 352429363 /nfs/dbraw/zinc/42/93/63/352429363.db2.gz YFPIRBFDZYSKBP-UPJWGTAASA-N 0 3 248.370 3.324 20 0 BGADHN Cc1cc(CNCCc2ccc(C)cc2)sn1 ZINC000638607722 352445239 /nfs/dbraw/zinc/44/52/39/352445239.db2.gz BGPDVUUYLWPNMG-UHFFFAOYSA-N 0 3 246.379 3.092 20 0 BGADHN CCC(C)(CC)N[C@@H](c1nccn1C)C1CC1 ZINC000638612356 352451977 /nfs/dbraw/zinc/45/19/77/352451977.db2.gz UXZQNIDQYOOGBX-GFCCVEGCSA-N 0 3 235.375 3.040 20 0 BGADHN CCC(C)(CC)N[C@H](c1nccn1C)C1CC1 ZINC000638612357 352452104 /nfs/dbraw/zinc/45/21/04/352452104.db2.gz UXZQNIDQYOOGBX-LBPRGKRZSA-N 0 3 235.375 3.040 20 0 BGADHN CC1=C(C)C[C@H]([C@@H](C)NCc2cocn2)CC1 ZINC000638636370 352476944 /nfs/dbraw/zinc/47/69/44/352476944.db2.gz AEEFIZPFONBCFS-CHWSQXEVSA-N 0 3 234.343 3.289 20 0 BGADHN CC1=C(C)C[C@@H]([C@@H](C)NCc2cocn2)CC1 ZINC000638636371 352477181 /nfs/dbraw/zinc/47/71/81/352477181.db2.gz AEEFIZPFONBCFS-OLZOCXBDSA-N 0 3 234.343 3.289 20 0 BGADHN CC1=C(C)C[C@H]([C@H](C)NCc2cocn2)CC1 ZINC000638636372 352476936 /nfs/dbraw/zinc/47/69/36/352476936.db2.gz AEEFIZPFONBCFS-QWHCGFSZSA-N 0 3 234.343 3.289 20 0 BGADHN CC1=C(C)C[C@@H]([C@H](C)NCc2cocn2)CC1 ZINC000638636373 352477407 /nfs/dbraw/zinc/47/74/07/352477407.db2.gz AEEFIZPFONBCFS-STQMWFEESA-N 0 3 234.343 3.289 20 0 BGADHN c1nc(CNC2CCC(=C3CCC3)CC2)co1 ZINC000638636602 352479088 /nfs/dbraw/zinc/47/90/88/352479088.db2.gz DSVAVJIIHMEQRS-UHFFFAOYSA-N 0 3 232.327 3.187 20 0 BGADHN CC(C)(C)CCCNCc1cc(C2CC2)no1 ZINC000638640129 352483379 /nfs/dbraw/zinc/48/33/79/352483379.db2.gz ZOLWFABCHPSTAD-UHFFFAOYSA-N 0 3 236.359 3.468 20 0 BGADHN C[C@H]1CC(NCc2cc(C3CC3)no2)C[C@H](C)C1 ZINC000638655240 352496244 /nfs/dbraw/zinc/49/62/44/352496244.db2.gz VDRQNJMGNNENNF-GHMZBOCLSA-N 0 3 248.370 3.466 20 0 BGADHN C[C@H]1C[C@H](NCc2cc(C3CC3)no2)C[C@@H](C)C1 ZINC000638655245 352495866 /nfs/dbraw/zinc/49/58/66/352495866.db2.gz VDRQNJMGNNENNF-PJXYFTJBSA-N 0 3 248.370 3.466 20 0 BGADHN C[C@@H]1CC(NCc2cc(C3CC3)no2)C[C@@H](C)C1 ZINC000638655252 352496278 /nfs/dbraw/zinc/49/62/78/352496278.db2.gz VDRQNJMGNNENNF-QWRGUYRKSA-N 0 3 248.370 3.466 20 0 BGADHN Cc1cc(C)cc(CCNCc2ccns2)c1 ZINC000638657048 352498006 /nfs/dbraw/zinc/49/80/06/352498006.db2.gz WBPFJTKFIBFMND-UHFFFAOYSA-N 0 3 246.379 3.092 20 0 BGADHN c1ccc2oc(CNCCCC3CC3)nc2c1 ZINC000638657559 538026638 /nfs/dbraw/zinc/02/66/38/538026638.db2.gz MAPOGOLKMKUIEY-UHFFFAOYSA-N 0 3 230.311 3.108 20 0 BGADHN CC(C)[C@H](C)CNCc1nc2ccccc2o1 ZINC000638658649 352500347 /nfs/dbraw/zinc/50/03/47/352500347.db2.gz ZLBKDCRTUXBDIQ-LLVKDONJSA-N 0 3 232.327 3.210 20 0 BGADHN CC(C)[C@@H](C)CNCc1nc2ccccc2o1 ZINC000638658650 352500064 /nfs/dbraw/zinc/50/00/64/352500064.db2.gz ZLBKDCRTUXBDIQ-NSHDSACASA-N 0 3 232.327 3.210 20 0 BGADHN c1ccc2oc(CN[C@@H]3CC=CCC3)nc2c1 ZINC000638661505 352504953 /nfs/dbraw/zinc/50/49/53/352504953.db2.gz SLKCESGAYYICRL-LLVKDONJSA-N 0 3 228.295 3.026 20 0 BGADHN c1ccc2oc(CN[C@H]3CC=CCC3)nc2c1 ZINC000638661506 352504699 /nfs/dbraw/zinc/50/46/99/352504699.db2.gz SLKCESGAYYICRL-NSHDSACASA-N 0 3 228.295 3.026 20 0 BGADHN CCc1ccc(CCNCc2ccns2)cc1 ZINC000638664659 352508281 /nfs/dbraw/zinc/50/82/81/352508281.db2.gz ZZAXKABFCSLSFU-UHFFFAOYSA-N 0 3 246.379 3.038 20 0 BGADHN Cc1cccc([C@H](C)CNCc2ccns2)c1 ZINC000638681474 352518936 /nfs/dbraw/zinc/51/89/36/352518936.db2.gz JBQBTJIITTXOFR-GFCCVEGCSA-N 0 3 246.379 3.345 20 0 BGADHN Cc1cccc([C@@H](C)CNCc2ccns2)c1 ZINC000638681475 352518947 /nfs/dbraw/zinc/51/89/47/352518947.db2.gz JBQBTJIITTXOFR-LBPRGKRZSA-N 0 3 246.379 3.345 20 0 BGADHN COc1cccc(C)c1CNCCC(F)(F)F ZINC000638699324 352538038 /nfs/dbraw/zinc/53/80/38/352538038.db2.gz NZGCCJMBAUSESO-UHFFFAOYSA-N 0 3 247.260 3.046 20 0 BGADHN CC[C@H](C)C[C@H](C)N[C@H](c1nccn1C)C1CC1 ZINC000638701786 352540839 /nfs/dbraw/zinc/54/08/39/352540839.db2.gz IHZUMRFLILXILU-OBJOEFQTSA-N 0 3 249.402 3.286 20 0 BGADHN CC[C@H](C)C[C@@H](C)N[C@@H](c1nccn1C)C1CC1 ZINC000638701787 352541078 /nfs/dbraw/zinc/54/10/78/352541078.db2.gz IHZUMRFLILXILU-OUCADQQQSA-N 0 3 249.402 3.286 20 0 BGADHN CC[C@H](C)C[C@@H](C)N[C@H](c1nccn1C)C1CC1 ZINC000638701788 352540727 /nfs/dbraw/zinc/54/07/27/352540727.db2.gz IHZUMRFLILXILU-SCRDCRAPSA-N 0 3 249.402 3.286 20 0 BGADHN CC[C@H](C)C[C@H](C)N[C@@H](c1nccn1C)C1CC1 ZINC000638701789 352540921 /nfs/dbraw/zinc/54/09/21/352540921.db2.gz IHZUMRFLILXILU-SGMGOOAPSA-N 0 3 249.402 3.286 20 0 BGADHN CC[C@@H](C)C[C@@H](C)NCc1cc(C2CC2)no1 ZINC000638702983 352543239 /nfs/dbraw/zinc/54/32/39/352543239.db2.gz XACHEVTVSKAZQO-GHMZBOCLSA-N 0 3 236.359 3.466 20 0 BGADHN CC[C@@H](C)C[C@H](C)NCc1cc(C2CC2)no1 ZINC000638702984 352543231 /nfs/dbraw/zinc/54/32/31/352543231.db2.gz XACHEVTVSKAZQO-MNOVXSKESA-N 0 3 236.359 3.466 20 0 BGADHN CC[C@H](C)C[C@H](C)NCc1cc(C2CC2)no1 ZINC000638702985 352543171 /nfs/dbraw/zinc/54/31/71/352543171.db2.gz XACHEVTVSKAZQO-QWRGUYRKSA-N 0 3 236.359 3.466 20 0 BGADHN CC[C@H](C)C[C@@H](C)NCc1cc(C2CC2)no1 ZINC000638702986 352543159 /nfs/dbraw/zinc/54/31/59/352543159.db2.gz XACHEVTVSKAZQO-WDEREUQCSA-N 0 3 236.359 3.466 20 0 BGADHN c1c(CNCC(C2CC2)C2CC2)onc1C1CC1 ZINC000638713021 352553649 /nfs/dbraw/zinc/55/36/49/352553649.db2.gz SLVUCDPZSZVVBE-UHFFFAOYSA-N 0 3 246.354 3.078 20 0 BGADHN CC(C)C1(CNCc2cc(C3CC3)no2)CC1 ZINC000638718281 352565618 /nfs/dbraw/zinc/56/56/18/352565618.db2.gz FQQLHDFURBUXSE-UHFFFAOYSA-N 0 3 234.343 3.078 20 0 BGADHN CC1(CNCc2nc3ccccc3o2)CCC1 ZINC000638719575 352566400 /nfs/dbraw/zinc/56/64/00/352566400.db2.gz DGDZNXDULYLWHT-UHFFFAOYSA-N 0 3 230.311 3.108 20 0 BGADHN Cn1ccnc1[C@H](N[C@@H]1CCCC1(C)C)C1CC1 ZINC000638720004 352568509 /nfs/dbraw/zinc/56/85/09/352568509.db2.gz CWGHNJWKHCTRBT-CHWSQXEVSA-N 0 3 247.386 3.040 20 0 BGADHN Cn1ccnc1[C@@H](N[C@@H]1CCCC1(C)C)C1CC1 ZINC000638720005 352568545 /nfs/dbraw/zinc/56/85/45/352568545.db2.gz CWGHNJWKHCTRBT-OLZOCXBDSA-N 0 3 247.386 3.040 20 0 BGADHN Cn1ccnc1[C@H](N[C@H]1CCCC1(C)C)C1CC1 ZINC000638720008 352565491 /nfs/dbraw/zinc/56/54/91/352565491.db2.gz CWGHNJWKHCTRBT-QWHCGFSZSA-N 0 3 247.386 3.040 20 0 BGADHN Cn1ccnc1[C@@H](N[C@H]1CCCC1(C)C)C1CC1 ZINC000638720021 352566496 /nfs/dbraw/zinc/56/64/96/352566496.db2.gz CWGHNJWKHCTRBT-STQMWFEESA-N 0 3 247.386 3.040 20 0 BGADHN CC(C)C1(CNCc2nc3ccccc3o2)CC1 ZINC000638720226 398157719 /nfs/dbraw/zinc/15/77/19/398157719.db2.gz SDLLHIARBPJUFY-UHFFFAOYSA-N 0 3 244.338 3.354 20 0 BGADHN CCC1(CNCc2nc3ccccc3o2)CC1 ZINC000638720605 352570537 /nfs/dbraw/zinc/57/05/37/352570537.db2.gz GQTFVNXXOBWNHB-UHFFFAOYSA-N 0 3 230.311 3.108 20 0 BGADHN CCC1(NCc2nc3ccccc3o2)CCC1 ZINC000638723657 352575460 /nfs/dbraw/zinc/57/54/60/352575460.db2.gz UDIWOJSJBDIISN-UHFFFAOYSA-N 0 3 230.311 3.250 20 0 BGADHN CCC1(CNCc2nc3ccccc3o2)CCC1 ZINC000638725678 352579918 /nfs/dbraw/zinc/57/99/18/352579918.db2.gz HHAVRTIYTIPCAP-UHFFFAOYSA-N 0 3 244.338 3.498 20 0 BGADHN CCC1(CNCc2cc(C3CC3)no2)CCC1 ZINC000638726337 352583758 /nfs/dbraw/zinc/58/37/58/352583758.db2.gz NGRFHBYYUSVOQC-UHFFFAOYSA-N 0 3 234.343 3.222 20 0 BGADHN CC(C)CC1(CNCc2cc(C3CC3)no2)CC1 ZINC000638741161 352674991 /nfs/dbraw/zinc/67/49/91/352674991.db2.gz GBHCHKQAEMBJIR-UHFFFAOYSA-N 0 3 248.370 3.468 20 0 BGADHN CC[C@@H]1CCC[C@H]1N[C@H](c1nccn1C)C1CC1 ZINC000638743632 352676759 /nfs/dbraw/zinc/67/67/59/352676759.db2.gz LYYLRDROEMEUBL-BNOWGMLFSA-N 0 3 247.386 3.040 20 0 BGADHN CC[C@@H]1CCC[C@@H]1N[C@@H](c1nccn1C)C1CC1 ZINC000638743633 352676551 /nfs/dbraw/zinc/67/65/51/352676551.db2.gz LYYLRDROEMEUBL-KWCYVHTRSA-N 0 3 247.386 3.040 20 0 BGADHN CC[C@@H]1CCC[C@H]1N[C@@H](c1nccn1C)C1CC1 ZINC000638743634 352676728 /nfs/dbraw/zinc/67/67/28/352676728.db2.gz LYYLRDROEMEUBL-MRVWCRGKSA-N 0 3 247.386 3.040 20 0 BGADHN CC[C@@H]1CCC[C@@H]1N[C@H](c1nccn1C)C1CC1 ZINC000638743635 352676599 /nfs/dbraw/zinc/67/65/99/352676599.db2.gz LYYLRDROEMEUBL-XBFCOCLRSA-N 0 3 247.386 3.040 20 0 BGADHN Cc1cc(CN[C@@H]2CCCC(F)(F)C2)sn1 ZINC000638752370 352684795 /nfs/dbraw/zinc/68/47/95/352684795.db2.gz XCWLKNLJRZSCRF-SECBINFHSA-N 0 3 246.326 3.119 20 0 BGADHN Cc1cc(CN[C@H]2CCCC(F)(F)C2)sn1 ZINC000638752372 352684831 /nfs/dbraw/zinc/68/48/31/352684831.db2.gz XCWLKNLJRZSCRF-VIFPVBQESA-N 0 3 246.326 3.119 20 0 BGADHN CCCC1(CNCc2nc3ccccc3o2)CC1 ZINC000638759942 352697167 /nfs/dbraw/zinc/69/71/67/352697167.db2.gz OJZFDGYIBNMVOR-UHFFFAOYSA-N 0 3 244.338 3.498 20 0 BGADHN CCCC1(CNCc2cc(C3CC3)no2)CC1 ZINC000638761171 352696084 /nfs/dbraw/zinc/69/60/84/352696084.db2.gz ZAHQUIRNXJOTIW-UHFFFAOYSA-N 0 3 234.343 3.222 20 0 BGADHN c1sc(CNC[C@@H]2C[C@H]3C[C@H]3C2)nc1C1CC1 ZINC000638771075 352712577 /nfs/dbraw/zinc/71/25/77/352712577.db2.gz VTEBCGQBSNOWRR-YHPBZONMSA-N 0 3 248.395 3.156 20 0 BGADHN c1c(CNCC2(C3CC3)CCC2)onc1C1CC1 ZINC000638771227 352712563 /nfs/dbraw/zinc/71/25/63/352712563.db2.gz BVJHXUAUXXCQHA-UHFFFAOYSA-N 0 3 246.354 3.222 20 0 BGADHN CC(C)C[C@H](C)NCc1cc(C2CC2)no1 ZINC000638772349 352714796 /nfs/dbraw/zinc/71/47/96/352714796.db2.gz PYVPGIKXMWTCRN-JTQLQIEISA-N 0 3 222.332 3.076 20 0 BGADHN CC(C)C[C@@H](C)NCc1cc(C2CC2)no1 ZINC000638772350 352714800 /nfs/dbraw/zinc/71/48/00/352714800.db2.gz PYVPGIKXMWTCRN-SNVBAGLBSA-N 0 3 222.332 3.076 20 0 BGADHN Cc1cccc(C)c1CCNCc1ccns1 ZINC000638776653 352723043 /nfs/dbraw/zinc/72/30/43/352723043.db2.gz ILINCLXBKJLFBO-UHFFFAOYSA-N 0 3 246.379 3.092 20 0 BGADHN c1ccc2oc(CNCC3(C4CC4)CC3)nc2c1 ZINC000638777773 352725239 /nfs/dbraw/zinc/72/52/39/352725239.db2.gz GKGNKNIFRPLJDD-UHFFFAOYSA-N 0 3 242.322 3.108 20 0 BGADHN Cc1cc(CNc2cc(C)cc(C)n2)sn1 ZINC000638788194 352745809 /nfs/dbraw/zinc/74/58/09/352745809.db2.gz DKCVEIFCQNFSIG-UHFFFAOYSA-N 0 3 233.340 3.075 20 0 BGADHN Cc1cc(C)nc(N[C@H]2CS[C@H](C)C2)c1 ZINC000638788219 487853265 /nfs/dbraw/zinc/85/32/65/487853265.db2.gz FINRYTJPKAGPSD-GHMZBOCLSA-N 0 3 222.357 3.004 20 0 BGADHN Cc1cc(C)nc(N[C@@H]2CS[C@H](C)C2)c1 ZINC000638788220 352744966 /nfs/dbraw/zinc/74/49/66/352744966.db2.gz FINRYTJPKAGPSD-MNOVXSKESA-N 0 3 222.357 3.004 20 0 BGADHN Cc1cc(C)nc(N[C@@H]2CS[C@@H](C)C2)c1 ZINC000638788221 352744957 /nfs/dbraw/zinc/74/49/57/352744957.db2.gz FINRYTJPKAGPSD-QWRGUYRKSA-N 0 3 222.357 3.004 20 0 BGADHN Cc1cc(C)nc(N[C@H]2CS[C@@H](C)C2)c1 ZINC000638788222 352745167 /nfs/dbraw/zinc/74/51/67/352745167.db2.gz FINRYTJPKAGPSD-WDEREUQCSA-N 0 3 222.357 3.004 20 0 BGADHN Cc1cc(C)nc(NCc2cc(C3CC3)no2)c1 ZINC000638788260 352744950 /nfs/dbraw/zinc/74/49/50/352744950.db2.gz GFBRGLXKVHQBIU-UHFFFAOYSA-N 0 3 243.310 3.176 20 0 BGADHN Cc1cc(C)nc(NCC2CCSCC2)c1 ZINC000638788338 352745134 /nfs/dbraw/zinc/74/51/34/352745134.db2.gz RUZHVDVSSKFOIE-UHFFFAOYSA-N 0 3 236.384 3.254 20 0 BGADHN Cc1cc(C)nc(N[C@H](C)[C@H]2CC2(F)F)c1 ZINC000638788379 352746950 /nfs/dbraw/zinc/74/69/50/352746950.db2.gz ISZDSNYGMCACKM-NXEZZACHSA-N 0 3 226.270 3.154 20 0 BGADHN Cc1cc(C)nc(N[C@@H](C)[C@@H]2CC2(F)F)c1 ZINC000638788382 352746927 /nfs/dbraw/zinc/74/69/27/352746927.db2.gz ISZDSNYGMCACKM-UWVGGRQHSA-N 0 3 226.270 3.154 20 0 BGADHN Cc1cc(C)nc(N[C@@H](C)[C@H]2CC2(F)F)c1 ZINC000638788383 352746933 /nfs/dbraw/zinc/74/69/33/352746933.db2.gz ISZDSNYGMCACKM-VHSXEESVSA-N 0 3 226.270 3.154 20 0 BGADHN Cc1cc(C)nc(N[C@H](C)[C@@H]2CC2(F)F)c1 ZINC000638788384 352746877 /nfs/dbraw/zinc/74/68/77/352746877.db2.gz ISZDSNYGMCACKM-ZJUUUORDSA-N 0 3 226.270 3.154 20 0 BGADHN C1=C(CCNCc2nc3ccccc3o2)CCC1 ZINC000638797298 352913635 /nfs/dbraw/zinc/91/36/35/352913635.db2.gz MMEGKPLVRMLQGS-UHFFFAOYSA-N 0 3 242.322 3.418 20 0 BGADHN c1c(CNCCC2=CCCC2)onc1C1CC1 ZINC000638798427 352893904 /nfs/dbraw/zinc/89/39/04/352893904.db2.gz VVALYCJMGXUVEP-UHFFFAOYSA-N 0 3 232.327 3.142 20 0 BGADHN CC1(C)CC[C@@H](NCc2nc3ccccc3o2)C1 ZINC000638798955 352931369 /nfs/dbraw/zinc/93/13/69/352931369.db2.gz FDPVTFQABGMBNN-LLVKDONJSA-N 0 3 244.338 3.496 20 0 BGADHN CC1(C)CC[C@H](NCc2nc3ccccc3o2)C1 ZINC000638798956 352931395 /nfs/dbraw/zinc/93/13/95/352931395.db2.gz FDPVTFQABGMBNN-NSHDSACASA-N 0 3 244.338 3.496 20 0 BGADHN CC1(C)CC[C@@H](NCc2cc(C3CC3)no2)C1 ZINC000638800671 352932866 /nfs/dbraw/zinc/93/28/66/352932866.db2.gz PMZRRUNXQBFEDE-LLVKDONJSA-N 0 3 234.343 3.220 20 0 BGADHN CC1(C)CC[C@H](NCc2cc(C3CC3)no2)C1 ZINC000638800676 352933083 /nfs/dbraw/zinc/93/30/83/352933083.db2.gz PMZRRUNXQBFEDE-NSHDSACASA-N 0 3 234.343 3.220 20 0 BGADHN Cc1cc(CNC[C@@H](C)C2CCCCC2)ncn1 ZINC000638811060 353001227 /nfs/dbraw/zinc/00/12/27/353001227.db2.gz HYYIFMUSQJQGGC-GFCCVEGCSA-N 0 3 247.386 3.091 20 0 BGADHN Cc1cc(CNC[C@H](C)C2CCCCC2)ncn1 ZINC000638811061 353001208 /nfs/dbraw/zinc/00/12/08/353001208.db2.gz HYYIFMUSQJQGGC-LBPRGKRZSA-N 0 3 247.386 3.091 20 0 BGADHN c1c(CNCC23CCC(CC2)C3)onc1C1CC1 ZINC000638813499 352993815 /nfs/dbraw/zinc/99/38/15/352993815.db2.gz XONWBSKEUYQBOH-UHFFFAOYSA-N 0 3 246.354 3.222 20 0 BGADHN Cc1cnc(CNC23CC4CC(CC(C4)C2)C3)o1 ZINC000638841460 353017972 /nfs/dbraw/zinc/01/79/72/353017972.db2.gz UMGWDFHISBVSKF-UHFFFAOYSA-N 0 3 246.354 3.041 20 0 BGADHN Cc1cc(CNC2CCC(=C3CCC3)CC2)on1 ZINC000638867137 353040964 /nfs/dbraw/zinc/04/09/64/353040964.db2.gz XXANLFSOWAEBOQ-UHFFFAOYSA-N 0 3 246.354 3.496 20 0 BGADHN CC(C)Cn1ccnc1CNCC1(C(C)C)CC1 ZINC000638870729 353043148 /nfs/dbraw/zinc/04/31/48/353043148.db2.gz SGXCXLPHBDICGL-UHFFFAOYSA-N 0 3 249.402 3.065 20 0 BGADHN c1cc(CN[C@@H]2C[C@@H]2C2CCCCC2)sn1 ZINC000638873321 398203166 /nfs/dbraw/zinc/20/31/66/398203166.db2.gz GRVJEVQIQHPZDJ-CHWSQXEVSA-N 0 3 236.384 3.202 20 0 BGADHN c1cc(CN[C@H]2C[C@@H]2C2CCCCC2)sn1 ZINC000638873322 398203121 /nfs/dbraw/zinc/20/31/21/398203121.db2.gz GRVJEVQIQHPZDJ-OLZOCXBDSA-N 0 3 236.384 3.202 20 0 BGADHN c1cc(CN[C@@H]2C[C@H]2C2CCCCC2)sn1 ZINC000638873323 398203093 /nfs/dbraw/zinc/20/30/93/398203093.db2.gz GRVJEVQIQHPZDJ-QWHCGFSZSA-N 0 3 236.384 3.202 20 0 BGADHN c1cc(CN[C@H]2C[C@H]2C2CCCCC2)sn1 ZINC000638873324 398203221 /nfs/dbraw/zinc/20/32/21/398203221.db2.gz GRVJEVQIQHPZDJ-STQMWFEESA-N 0 3 236.384 3.202 20 0 BGADHN Cc1scc(CN2CC=CCC2)c1C ZINC000638914909 353073450 /nfs/dbraw/zinc/07/34/50/353073450.db2.gz XAWOSTCFBOHGOU-UHFFFAOYSA-N 0 3 207.342 3.127 20 0 BGADHN Cc1ccc(CN2CCCSCC2)c(F)c1 ZINC000638922220 353080090 /nfs/dbraw/zinc/08/00/90/353080090.db2.gz ACZNTHMAYIFNNM-UHFFFAOYSA-N 0 3 239.359 3.073 20 0 BGADHN Cc1scc(CN2CCCSCC2)c1C ZINC000638923492 353084291 /nfs/dbraw/zinc/08/42/91/353084291.db2.gz VZGSKBDOJHJVFG-UHFFFAOYSA-N 0 3 241.425 3.304 20 0 BGADHN C[C@@H]1CCN(Cc2ccns2)CC12CCC2 ZINC000638939560 353123459 /nfs/dbraw/zinc/12/34/59/353123459.db2.gz NJCOWCQXZGDKEL-LLVKDONJSA-N 0 3 236.384 3.155 20 0 BGADHN C[C@H]1CCN(Cc2ccns2)CC12CCC2 ZINC000638939561 353123721 /nfs/dbraw/zinc/12/37/21/353123721.db2.gz NJCOWCQXZGDKEL-NSHDSACASA-N 0 3 236.384 3.155 20 0 BGADHN C[C@H]1CC[C@]2(CCN(Cc3ccns3)C2)C1 ZINC000638976956 353182359 /nfs/dbraw/zinc/18/23/59/353182359.db2.gz MZOIKQREXJICQM-AAEUAGOBSA-N 0 3 236.384 3.155 20 0 BGADHN C[C@@H]1CC[C@@]2(CCN(Cc3ccns3)C2)C1 ZINC000638976957 353182289 /nfs/dbraw/zinc/18/22/89/353182289.db2.gz MZOIKQREXJICQM-DGCLKSJQSA-N 0 3 236.384 3.155 20 0 BGADHN C[C@H]1CC[C@@]2(CCN(Cc3ccns3)C2)C1 ZINC000638976958 353182577 /nfs/dbraw/zinc/18/25/77/353182577.db2.gz MZOIKQREXJICQM-WCQYABFASA-N 0 3 236.384 3.155 20 0 BGADHN C[C@@H]1CC[C@]2(CCN(Cc3ccns3)C2)C1 ZINC000638976959 353182374 /nfs/dbraw/zinc/18/23/74/353182374.db2.gz MZOIKQREXJICQM-YPMHNXCESA-N 0 3 236.384 3.155 20 0 BGADHN Cc1cc(CN(C)C[C@@H]2CC=CCC2)sn1 ZINC000639038008 353310427 /nfs/dbraw/zinc/31/04/27/353310427.db2.gz JNVOPTATXDPYME-GFCCVEGCSA-N 0 3 236.384 3.240 20 0 BGADHN Cc1cc(CN(C)C[C@H]2CC=CCC2)sn1 ZINC000639038009 353310918 /nfs/dbraw/zinc/31/09/18/353310918.db2.gz JNVOPTATXDPYME-LBPRGKRZSA-N 0 3 236.384 3.240 20 0 BGADHN CC(C)(C)[C@H]1CCN(Cc2ccns2)C1 ZINC000639038618 353311594 /nfs/dbraw/zinc/31/15/94/353311594.db2.gz UYBNTSUJPVXEAR-JTQLQIEISA-N 0 3 224.373 3.011 20 0 BGADHN CC(C)(C)[C@@H]1CCN(Cc2ccns2)C1 ZINC000639038619 353311472 /nfs/dbraw/zinc/31/14/72/353311472.db2.gz UYBNTSUJPVXEAR-SNVBAGLBSA-N 0 3 224.373 3.011 20 0 BGADHN C[C@@H]1CN(Cc2ccns2)CC(C)(C)C1 ZINC000639039891 353320623 /nfs/dbraw/zinc/32/06/23/353320623.db2.gz YUXDHBAWZCVPGI-JTQLQIEISA-N 0 3 224.373 3.011 20 0 BGADHN C[C@H]1CN(Cc2ccns2)CC(C)(C)C1 ZINC000639039892 353320632 /nfs/dbraw/zinc/32/06/32/353320632.db2.gz YUXDHBAWZCVPGI-SNVBAGLBSA-N 0 3 224.373 3.011 20 0 BGADHN Cc1ccc(CCN(C)Cc2ccncc2)cc1 ZINC000639040504 353317160 /nfs/dbraw/zinc/31/71/60/353317160.db2.gz JGHBMEUUSVFZQE-UHFFFAOYSA-N 0 3 240.350 3.065 20 0 BGADHN CC1=C(C)C[C@H]([C@@H](C)NCc2ccno2)CC1 ZINC000639041029 353319321 /nfs/dbraw/zinc/31/93/21/353319321.db2.gz GQOJXKQOZKVJMU-CHWSQXEVSA-N 0 3 234.343 3.289 20 0 BGADHN CC1=C(C)C[C@@H]([C@@H](C)NCc2ccno2)CC1 ZINC000639041030 353319223 /nfs/dbraw/zinc/31/92/23/353319223.db2.gz GQOJXKQOZKVJMU-OLZOCXBDSA-N 0 3 234.343 3.289 20 0 BGADHN CC1=C(C)C[C@H]([C@H](C)NCc2ccno2)CC1 ZINC000639041031 353319186 /nfs/dbraw/zinc/31/91/86/353319186.db2.gz GQOJXKQOZKVJMU-QWHCGFSZSA-N 0 3 234.343 3.289 20 0 BGADHN CC1=C(C)C[C@@H]([C@H](C)NCc2ccno2)CC1 ZINC000639041032 353319219 /nfs/dbraw/zinc/31/92/19/353319219.db2.gz GQOJXKQOZKVJMU-STQMWFEESA-N 0 3 234.343 3.289 20 0 BGADHN C[C@@H](NCc1ccno1)[C@@H]1C[C@H]1c1cccs1 ZINC000639041501 353316138 /nfs/dbraw/zinc/31/61/38/353316138.db2.gz LKCTZYXVGAZAFB-ADEWGFFLSA-N 0 3 248.351 3.018 20 0 BGADHN C[C@H](NCc1ccno1)[C@@H]1C[C@H]1c1cccs1 ZINC000639041502 353316221 /nfs/dbraw/zinc/31/62/21/353316221.db2.gz LKCTZYXVGAZAFB-ZMLRMANQSA-N 0 3 248.351 3.018 20 0 BGADHN c1cc(CNC2CCC(=C3CCC3)CC2)on1 ZINC000639041934 353322328 /nfs/dbraw/zinc/32/23/28/353322328.db2.gz QDCFJMBCHCFSFI-UHFFFAOYSA-N 0 3 232.327 3.187 20 0 BGADHN C[C@@H]1CC[C@H](NCc2cc(C3CC3)no2)C[C@@H]1C ZINC000639044414 353330517 /nfs/dbraw/zinc/33/05/17/353330517.db2.gz MCQYIUKZXRYSFH-MDZLAQPJSA-N 0 3 248.370 3.466 20 0 BGADHN C[C@@H]1CC[C@@H](NCc2cc(C3CC3)no2)C[C@H]1C ZINC000639044415 353330592 /nfs/dbraw/zinc/33/05/92/353330592.db2.gz MCQYIUKZXRYSFH-NQBHXWOUSA-N 0 3 248.370 3.466 20 0 BGADHN C[C@@H]1CC[C@@H](NCc2cc(C3CC3)no2)C[C@@H]1C ZINC000639044416 353330369 /nfs/dbraw/zinc/33/03/69/353330369.db2.gz MCQYIUKZXRYSFH-NTZNESFSSA-N 0 3 248.370 3.466 20 0 BGADHN C[C@@H]1CC[C@H](NCc2cc(C3CC3)no2)C[C@H]1C ZINC000639044417 353330483 /nfs/dbraw/zinc/33/04/83/353330483.db2.gz MCQYIUKZXRYSFH-WZRBSPASSA-N 0 3 248.370 3.466 20 0 BGADHN CCC[C@@H]1CCCCN1Cc1ccns1 ZINC000639044714 353337605 /nfs/dbraw/zinc/33/76/05/353337605.db2.gz QLOYNGSKOCCBCH-LLVKDONJSA-N 0 3 224.373 3.298 20 0 BGADHN CCC[C@H]1CCCCN1Cc1ccns1 ZINC000639044721 353337810 /nfs/dbraw/zinc/33/78/10/353337810.db2.gz QLOYNGSKOCCBCH-NSHDSACASA-N 0 3 224.373 3.298 20 0 BGADHN C[C@H]1CCN(Cc2ccns2)CC1(C)C ZINC000639046233 353336219 /nfs/dbraw/zinc/33/62/19/353336219.db2.gz KBFCWWDFXVLLJT-JTQLQIEISA-N 0 3 224.373 3.011 20 0 BGADHN C[C@@H]1CCN(Cc2ccns2)CC1(C)C ZINC000639046235 353336162 /nfs/dbraw/zinc/33/61/62/353336162.db2.gz KBFCWWDFXVLLJT-SNVBAGLBSA-N 0 3 224.373 3.011 20 0 BGADHN CCN(CCC1CC1)Cc1cncc(OC)c1C ZINC000639048255 353339860 /nfs/dbraw/zinc/33/98/60/353339860.db2.gz PVDDTULAQUSERG-UHFFFAOYSA-N 0 3 248.370 3.021 20 0 BGADHN CCN(CCC1CC1)Cc1cc(C)ns1 ZINC000639048528 353340907 /nfs/dbraw/zinc/34/09/07/353340907.db2.gz SWLXDURSFDFVAN-UHFFFAOYSA-N 0 3 224.373 3.074 20 0 BGADHN CCN(CCC1CC1)[C@H](C)c1cnc(C)nc1C ZINC000639048796 353342699 /nfs/dbraw/zinc/34/26/99/353342699.db2.gz ZSRXJUXKYITTFV-GFCCVEGCSA-N 0 3 247.386 3.276 20 0 BGADHN CCN(CCC1CC1)[C@@H](C)c1cnc(C)nc1C ZINC000639048798 353342758 /nfs/dbraw/zinc/34/27/58/353342758.db2.gz ZSRXJUXKYITTFV-LBPRGKRZSA-N 0 3 247.386 3.276 20 0 BGADHN C[C@H](CCC1CC1)NCc1nc2ccccc2o1 ZINC000639053562 353355963 /nfs/dbraw/zinc/35/59/63/353355963.db2.gz JOIKJJZCFXKTCO-LLVKDONJSA-N 0 3 244.338 3.496 20 0 BGADHN C[C@@H](CCC1CC1)NCc1nc2ccccc2o1 ZINC000639053563 353356066 /nfs/dbraw/zinc/35/60/66/353356066.db2.gz JOIKJJZCFXKTCO-NSHDSACASA-N 0 3 244.338 3.496 20 0 BGADHN C[C@@H](CCC1CC1)NCc1cc(C2CC2)no1 ZINC000639055592 353359001 /nfs/dbraw/zinc/35/90/01/353359001.db2.gz YOKOCGLJHMOJCA-JTQLQIEISA-N 0 3 234.343 3.220 20 0 BGADHN C[C@H](CCC1CC1)NCc1cc(C2CC2)no1 ZINC000639055594 353358703 /nfs/dbraw/zinc/35/87/03/353358703.db2.gz YOKOCGLJHMOJCA-SNVBAGLBSA-N 0 3 234.343 3.220 20 0 BGADHN Cc1cc(CN2CCCC[C@H](C)C2)sn1 ZINC000639061257 353367984 /nfs/dbraw/zinc/36/79/84/353367984.db2.gz WILQQBQWGVHNMN-JTQLQIEISA-N 0 3 224.373 3.074 20 0 BGADHN Cc1cc(CN2CCCC[C@@H](C)C2)sn1 ZINC000639061258 353368125 /nfs/dbraw/zinc/36/81/25/353368125.db2.gz WILQQBQWGVHNMN-SNVBAGLBSA-N 0 3 224.373 3.074 20 0 BGADHN c1cc(CNC2(Cc3ccccc3)CC2)sn1 ZINC000639061313 353368261 /nfs/dbraw/zinc/36/82/61/353368261.db2.gz YBZSIDVHPNAGQG-UHFFFAOYSA-N 0 3 244.363 3.008 20 0 BGADHN CC[C@@H]1[C@H](C)CCN1Cc1cc(C)ns1 ZINC000639065529 353376093 /nfs/dbraw/zinc/37/60/93/353376093.db2.gz JOITZVKTHXXYLO-BXKDBHETSA-N 0 3 224.373 3.072 20 0 BGADHN CC[C@H]1[C@@H](C)CCN1Cc1cc(C)ns1 ZINC000639065530 353375888 /nfs/dbraw/zinc/37/58/88/353375888.db2.gz JOITZVKTHXXYLO-CABZTGNLSA-N 0 3 224.373 3.072 20 0 BGADHN CC[C@@H]1[C@@H](C)CCN1Cc1cc(C)ns1 ZINC000639065531 353375973 /nfs/dbraw/zinc/37/59/73/353375973.db2.gz JOITZVKTHXXYLO-JOYOIKCWSA-N 0 3 224.373 3.072 20 0 BGADHN CC[C@H]1[C@H](C)CCN1Cc1cc(C)ns1 ZINC000639065532 353376150 /nfs/dbraw/zinc/37/61/50/353376150.db2.gz JOITZVKTHXXYLO-SKDRFNHKSA-N 0 3 224.373 3.072 20 0 BGADHN CC(C)[C@@H]1CCCN(Cc2ccns2)C1 ZINC000639084255 353424185 /nfs/dbraw/zinc/42/41/85/353424185.db2.gz SPTYLTJZKZUBJB-LLVKDONJSA-N 0 3 224.373 3.011 20 0 BGADHN CC(C)[C@H]1CCCN(Cc2ccns2)C1 ZINC000639084256 353423997 /nfs/dbraw/zinc/42/39/97/353423997.db2.gz SPTYLTJZKZUBJB-NSHDSACASA-N 0 3 224.373 3.011 20 0 BGADHN CC1(C)CC(CNCc2nc3ccccc3o2)C1 ZINC000639085587 353425663 /nfs/dbraw/zinc/42/56/63/353425663.db2.gz HOVCFVUSRIFAQC-UHFFFAOYSA-N 0 3 244.338 3.354 20 0 BGADHN CC1(C)CC(CNCc2cc(C3CC3)no2)C1 ZINC000639086438 353427366 /nfs/dbraw/zinc/42/73/66/353427366.db2.gz QMRMUAYXMFSSEQ-UHFFFAOYSA-N 0 3 234.343 3.078 20 0 BGADHN CC(C)C(C)(C)CNCc1cc(C2CC2)no1 ZINC000639086614 353427853 /nfs/dbraw/zinc/42/78/53/353427853.db2.gz XEZGUGDOBMIHAU-UHFFFAOYSA-N 0 3 236.359 3.324 20 0 BGADHN C[C@@H]1C[C@@H](C)[C@@H](C)N(Cc2ccns2)C1 ZINC000639096917 353495084 /nfs/dbraw/zinc/49/50/84/353495084.db2.gz KWWJISTXUQYBLJ-GMTAPVOTSA-N 0 3 224.373 3.010 20 0 BGADHN C[C@@H]1C[C@@H](C)[C@H](C)N(Cc2ccns2)C1 ZINC000639096918 353495378 /nfs/dbraw/zinc/49/53/78/353495378.db2.gz KWWJISTXUQYBLJ-MXWKQRLJSA-N 0 3 224.373 3.010 20 0 BGADHN C[C@@H]1C[C@H](C)[C@@H](C)N(Cc2ccns2)C1 ZINC000639096919 353495346 /nfs/dbraw/zinc/49/53/46/353495346.db2.gz KWWJISTXUQYBLJ-OUAUKWLOSA-N 0 3 224.373 3.010 20 0 BGADHN C[C@@H]1C[C@H](C)[C@H](C)N(Cc2ccns2)C1 ZINC000639096920 353495115 /nfs/dbraw/zinc/49/51/15/353495115.db2.gz KWWJISTXUQYBLJ-VWYCJHECSA-N 0 3 224.373 3.010 20 0 BGADHN Cc1ccc(CN(C)CC2(C(C)C)CC2)nc1 ZINC000639098025 386429920 /nfs/dbraw/zinc/42/99/20/386429920.db2.gz VTFPFSQPPVKEBB-UHFFFAOYSA-N 0 3 232.371 3.258 20 0 BGADHN CC(C)=CCCNCc1nc2ccccc2o1 ZINC000639098100 353496927 /nfs/dbraw/zinc/49/69/27/353496927.db2.gz CQNDOQNKUDOGCP-UHFFFAOYSA-N 0 3 230.311 3.274 20 0 BGADHN C[C@@H](N[C@H](C)[C@H]1CC1(F)F)c1cccc(O)c1 ZINC000639103210 353577187 /nfs/dbraw/zinc/57/71/87/353577187.db2.gz IKFFMFLUEBSBTI-KBVBSXBZSA-N 0 3 241.281 3.087 20 0 BGADHN C[C@@H](N[C@H](C)[C@@H]1CC1(F)F)c1cccc(O)c1 ZINC000639103211 353577160 /nfs/dbraw/zinc/57/71/60/353577160.db2.gz IKFFMFLUEBSBTI-LNLATYFQSA-N 0 3 241.281 3.087 20 0 BGADHN C[C@@H](N[C@@H](C)[C@@H]1CC1(F)F)c1cccc(O)c1 ZINC000639103212 353577399 /nfs/dbraw/zinc/57/73/99/353577399.db2.gz IKFFMFLUEBSBTI-PTRXPTGYSA-N 0 3 241.281 3.087 20 0 BGADHN C[C@@H](N[C@@H](C)[C@H]1CC1(F)F)c1cccc(O)c1 ZINC000639103213 353577216 /nfs/dbraw/zinc/57/72/16/353577216.db2.gz IKFFMFLUEBSBTI-VDDIYKPWSA-N 0 3 241.281 3.087 20 0 BGADHN CCC(C)(C)CNCc1cc(C2CC2)no1 ZINC000639103923 353583762 /nfs/dbraw/zinc/58/37/62/353583762.db2.gz JQVFRTRTKBOYNR-UHFFFAOYSA-N 0 3 222.332 3.078 20 0 BGADHN C[C@@H](N[C@H](C)[C@@H]1CCCCO1)c1cccc(O)c1 ZINC000639105079 353592432 /nfs/dbraw/zinc/59/24/32/353592432.db2.gz REULCWZULPKOEF-JMSVASOKSA-N 0 3 249.354 3.000 20 0 BGADHN C[C@@H](N[C@H](C)[C@H]1CCCCO1)c1cccc(O)c1 ZINC000639105081 353592211 /nfs/dbraw/zinc/59/22/11/353592211.db2.gz REULCWZULPKOEF-LALPHHSUSA-N 0 3 249.354 3.000 20 0 BGADHN C[C@@H](N[C@@H](C)[C@H]1CCCCO1)c1cccc(O)c1 ZINC000639105083 353592406 /nfs/dbraw/zinc/59/24/06/353592406.db2.gz REULCWZULPKOEF-TYNCELHUSA-N 0 3 249.354 3.000 20 0 BGADHN C[C@@H](N[C@@H](C)[C@@H]1CCCCO1)c1cccc(O)c1 ZINC000639105085 353591961 /nfs/dbraw/zinc/59/19/61/353591961.db2.gz REULCWZULPKOEF-XUJVJEKNSA-N 0 3 249.354 3.000 20 0 BGADHN C[C@H](N[C@@H](C)[C@@H]1CC1(F)F)c1cccc(O)c1 ZINC000639105886 488000387 /nfs/dbraw/zinc/00/03/87/488000387.db2.gz IKFFMFLUEBSBTI-AUTRQRHGSA-N 0 3 241.281 3.087 20 0 BGADHN C[C@H](N[C@@H](C)[C@H]1CC1(F)F)c1cccc(O)c1 ZINC000639105887 488000760 /nfs/dbraw/zinc/00/07/60/488000760.db2.gz IKFFMFLUEBSBTI-HOTUBEGUSA-N 0 3 241.281 3.087 20 0 BGADHN C[C@@H](N[C@@H](C)c1cccc(O)c1)[C@@H]1CC1(F)F ZINC000639105888 488001093 /nfs/dbraw/zinc/00/10/93/488001093.db2.gz IKFFMFLUEBSBTI-SBMIAAHKSA-N 0 3 241.281 3.087 20 0 BGADHN C[C@@H](N[C@@H](C)c1cccc(O)c1)[C@H]1CC1(F)F ZINC000639105889 488000896 /nfs/dbraw/zinc/00/08/96/488000896.db2.gz IKFFMFLUEBSBTI-YGOYTEALSA-N 0 3 241.281 3.087 20 0 BGADHN CCC(C)(C)CNCc1nc2ccccc2o1 ZINC000639106405 353626170 /nfs/dbraw/zinc/62/61/70/353626170.db2.gz VJLXAJJOIXCTQX-UHFFFAOYSA-N 0 3 232.327 3.354 20 0 BGADHN c1c(CNC2CCC3(CC3)CC2)onc1C1CC1 ZINC000639107180 353640904 /nfs/dbraw/zinc/64/09/04/353640904.db2.gz QIGSKAPLTOZLQQ-UHFFFAOYSA-N 0 3 246.354 3.364 20 0 BGADHN Cc1cscc1CN[C@H](C)[C@H]1CC1(F)F ZINC000639111374 353696741 /nfs/dbraw/zinc/69/67/41/353696741.db2.gz VZTCDURKTPOUEX-PSASIEDQSA-N 0 3 231.311 3.190 20 0 BGADHN Cc1cscc1CN[C@H](C)[C@@H]1CC1(F)F ZINC000639111379 353696305 /nfs/dbraw/zinc/69/63/05/353696305.db2.gz VZTCDURKTPOUEX-SCZZXKLOSA-N 0 3 231.311 3.190 20 0 BGADHN Cc1cscc1CN[C@@H](C)[C@H]1CC1(F)F ZINC000639111380 353696749 /nfs/dbraw/zinc/69/67/49/353696749.db2.gz VZTCDURKTPOUEX-WCBMZHEXSA-N 0 3 231.311 3.190 20 0 BGADHN Cc1cscc1CN[C@@H](C)[C@@H]1CC1(F)F ZINC000639111383 353696251 /nfs/dbraw/zinc/69/62/51/353696251.db2.gz VZTCDURKTPOUEX-WPRPVWTQSA-N 0 3 231.311 3.190 20 0 BGADHN C[C@@H]1CC2(CCC2)CN1Cc1cccc(F)c1N ZINC000639115325 353730935 /nfs/dbraw/zinc/73/09/35/353730935.db2.gz BDYRFLHHLMGFEQ-LLVKDONJSA-N 0 3 248.345 3.172 20 0 BGADHN C[C@H]1CC2(CCC2)CN1Cc1cccc(F)c1N ZINC000639115326 353731062 /nfs/dbraw/zinc/73/10/62/353731062.db2.gz BDYRFLHHLMGFEQ-NSHDSACASA-N 0 3 248.345 3.172 20 0 BGADHN CC1(CCNCc2nc3ccccc3o2)CC1 ZINC000639119646 353757608 /nfs/dbraw/zinc/75/76/08/353757608.db2.gz YRAOWPWQSCCXCC-UHFFFAOYSA-N 0 3 230.311 3.108 20 0 BGADHN CC1CN(Cc2ccc(CC(F)(F)F)cc2)C1 ZINC000639122834 353778262 /nfs/dbraw/zinc/77/82/62/353778262.db2.gz GLKYWAPHNOYTCK-UHFFFAOYSA-N 0 3 243.272 3.243 20 0 BGADHN CC(C)N(Cc1ccns1)CC1CCC1 ZINC000639124652 353810588 /nfs/dbraw/zinc/81/05/88/353810588.db2.gz KOWUBUSJQLCIBF-UHFFFAOYSA-N 0 3 224.373 3.154 20 0 BGADHN Cc1cc(CN2CC3(CCC3)C[C@H]2C)sn1 ZINC000639125210 353807451 /nfs/dbraw/zinc/80/74/51/353807451.db2.gz YAKYMZOTZVCOKT-LLVKDONJSA-N 0 3 236.384 3.216 20 0 BGADHN Cc1cc(CN2CC3(CCC3)C[C@@H]2C)sn1 ZINC000639125211 353806893 /nfs/dbraw/zinc/80/68/93/353806893.db2.gz YAKYMZOTZVCOKT-NSHDSACASA-N 0 3 236.384 3.216 20 0 BGADHN Cc1ccncc1CN(C)CC1(C(C)C)CC1 ZINC000639125619 353821652 /nfs/dbraw/zinc/82/16/52/353821652.db2.gz XYCKFNZVTVKAGH-UHFFFAOYSA-N 0 3 232.371 3.258 20 0 BGADHN CCN(Cc1cncc(OC)c1C)CC1CCC1 ZINC000639126174 353829289 /nfs/dbraw/zinc/82/92/89/353829289.db2.gz BPIFDIRBXPMMHY-UHFFFAOYSA-N 0 3 248.370 3.021 20 0 BGADHN C[C@@H]1CC[C@H](CNCc2nc3ccccc3o2)C1 ZINC000639127076 353829110 /nfs/dbraw/zinc/82/91/10/353829110.db2.gz MGACHIJFJLXJSS-NEPJUHHUSA-N 0 3 244.338 3.354 20 0 BGADHN C[C@H]1CC[C@@H](CNCc2nc3ccccc3o2)C1 ZINC000639127077 353829322 /nfs/dbraw/zinc/82/93/22/353829322.db2.gz MGACHIJFJLXJSS-NWDGAFQWSA-N 0 3 244.338 3.354 20 0 BGADHN C[C@H]1CC[C@H](CNCc2nc3ccccc3o2)C1 ZINC000639127078 353828840 /nfs/dbraw/zinc/82/88/40/353828840.db2.gz MGACHIJFJLXJSS-RYUDHWBXSA-N 0 3 244.338 3.354 20 0 BGADHN C[C@@H]1CC[C@@H](CNCc2nc3ccccc3o2)C1 ZINC000639127079 353829246 /nfs/dbraw/zinc/82/92/46/353829246.db2.gz MGACHIJFJLXJSS-VXGBXAGGSA-N 0 3 244.338 3.354 20 0 BGADHN C[C@@H]1CC[C@@H](CNCc2cc(C3CC3)no2)C1 ZINC000639127554 353838893 /nfs/dbraw/zinc/83/88/93/353838893.db2.gz QVUHMYKMFCNJCK-GHMZBOCLSA-N 0 3 234.343 3.078 20 0 BGADHN C[C@@H]1CC[C@H](CNCc2cc(C3CC3)no2)C1 ZINC000639127555 353839007 /nfs/dbraw/zinc/83/90/07/353839007.db2.gz QVUHMYKMFCNJCK-MNOVXSKESA-N 0 3 234.343 3.078 20 0 BGADHN C[C@H]1CC[C@H](CNCc2cc(C3CC3)no2)C1 ZINC000639127556 353838812 /nfs/dbraw/zinc/83/88/12/353838812.db2.gz QVUHMYKMFCNJCK-QWRGUYRKSA-N 0 3 234.343 3.078 20 0 BGADHN C[C@H]1CC[C@@H](CNCc2cc(C3CC3)no2)C1 ZINC000639127557 353839086 /nfs/dbraw/zinc/83/90/86/353839086.db2.gz QVUHMYKMFCNJCK-WDEREUQCSA-N 0 3 234.343 3.078 20 0 BGADHN CN(Cc1ccns1)[C@H]1CCC(C)(C)C1 ZINC000639127560 353838744 /nfs/dbraw/zinc/83/87/44/353838744.db2.gz QWJXOABXFXBZRM-JTQLQIEISA-N 0 3 224.373 3.154 20 0 BGADHN CN(Cc1ccns1)[C@@H]1CCC(C)(C)C1 ZINC000639127561 353838934 /nfs/dbraw/zinc/83/89/34/353838934.db2.gz QWJXOABXFXBZRM-SNVBAGLBSA-N 0 3 224.373 3.154 20 0 BGADHN CCN(Cc1cc(C)ns1)CC1CCC1 ZINC000639128645 353834105 /nfs/dbraw/zinc/83/41/05/353834105.db2.gz WQYYVXDHJBIBBU-UHFFFAOYSA-N 0 3 224.373 3.074 20 0 BGADHN c1cc(CN(CC2CC2)CC2CCC2)sn1 ZINC000639128836 353834062 /nfs/dbraw/zinc/83/40/62/353834062.db2.gz LNEOVRSBYRZEAW-UHFFFAOYSA-N 0 3 236.384 3.155 20 0 BGADHN Cc1ncc([C@@H](C)N2CCC(C)=C(C)C2)c(C)n1 ZINC000639129135 353834372 /nfs/dbraw/zinc/83/43/72/353834372.db2.gz QFOWXSUBYOXOCK-CYBMUJFWSA-N 0 3 245.370 3.197 20 0 BGADHN Cc1ncc([C@H](C)N2CCC(C)=C(C)C2)c(C)n1 ZINC000639129136 353834138 /nfs/dbraw/zinc/83/41/38/353834138.db2.gz QFOWXSUBYOXOCK-ZDUSSCGKSA-N 0 3 245.370 3.197 20 0 BGADHN CC1=C[C@H](C)CN([C@@H](C)c2cnc(C)nc2C)C1 ZINC000639129913 353835094 /nfs/dbraw/zinc/83/50/94/353835094.db2.gz CTFRBZNAVXYZMP-GWCFXTLKSA-N 0 3 245.370 3.052 20 0 BGADHN CC1=C[C@H](C)CN([C@H](C)c2cnc(C)nc2C)C1 ZINC000639129914 353835044 /nfs/dbraw/zinc/83/50/44/353835044.db2.gz CTFRBZNAVXYZMP-GXFFZTMASA-N 0 3 245.370 3.052 20 0 BGADHN CC1=C[C@@H](C)CN([C@@H](C)c2cnc(C)nc2C)C1 ZINC000639129915 353834971 /nfs/dbraw/zinc/83/49/71/353834971.db2.gz CTFRBZNAVXYZMP-MFKMUULPSA-N 0 3 245.370 3.052 20 0 BGADHN CC1=C[C@@H](C)CN([C@H](C)c2cnc(C)nc2C)C1 ZINC000639129916 353835183 /nfs/dbraw/zinc/83/51/83/353835183.db2.gz CTFRBZNAVXYZMP-ZWNOBZJWSA-N 0 3 245.370 3.052 20 0 BGADHN Cc1cc(CN(CC2CC2)C2CCC2)sn1 ZINC000639130222 353835521 /nfs/dbraw/zinc/83/55/21/353835521.db2.gz XZVNZPFQNVXCPG-UHFFFAOYSA-N 0 3 236.384 3.216 20 0 BGADHN Cc1cc(CN(C)C2(C)CCCC2)sn1 ZINC000639133520 353843902 /nfs/dbraw/zinc/84/39/02/353843902.db2.gz OJBFQSLPIBAKLK-UHFFFAOYSA-N 0 3 224.373 3.216 20 0 BGADHN C[C@@H]1CCC[C@H]1CNCc1nc2ccccc2o1 ZINC000639135839 353845881 /nfs/dbraw/zinc/84/58/81/353845881.db2.gz XDBFTGSPDZNSCL-NEPJUHHUSA-N 0 3 244.338 3.354 20 0 BGADHN C[C@H]1CCC[C@@H]1CNCc1nc2ccccc2o1 ZINC000639135840 353845588 /nfs/dbraw/zinc/84/55/88/353845588.db2.gz XDBFTGSPDZNSCL-NWDGAFQWSA-N 0 3 244.338 3.354 20 0 BGADHN C[C@H]1CCC[C@H]1CNCc1nc2ccccc2o1 ZINC000639135841 353845681 /nfs/dbraw/zinc/84/56/81/353845681.db2.gz XDBFTGSPDZNSCL-RYUDHWBXSA-N 0 3 244.338 3.354 20 0 BGADHN C[C@@H]1CCC[C@@H]1CNCc1nc2ccccc2o1 ZINC000639135842 353845816 /nfs/dbraw/zinc/84/58/16/353845816.db2.gz XDBFTGSPDZNSCL-VXGBXAGGSA-N 0 3 244.338 3.354 20 0 BGADHN C[C@H]1CCC[C@@H]1CNCc1cc(C2CC2)no1 ZINC000639136176 353845431 /nfs/dbraw/zinc/84/54/31/353845431.db2.gz ZWBIFAVCEOEDRM-CMPLNLGQSA-N 0 3 234.343 3.078 20 0 BGADHN C[C@H]1CCC[C@H]1CNCc1cc(C2CC2)no1 ZINC000639136178 353845972 /nfs/dbraw/zinc/84/59/72/353845972.db2.gz ZWBIFAVCEOEDRM-JQWIXIFHSA-N 0 3 234.343 3.078 20 0 BGADHN C[C@@H]1CCC[C@H]1CNCc1cc(C2CC2)no1 ZINC000639136180 353845663 /nfs/dbraw/zinc/84/56/63/353845663.db2.gz ZWBIFAVCEOEDRM-PWSUYJOCSA-N 0 3 234.343 3.078 20 0 BGADHN C[C@@H]1CCC[C@@H]1CNCc1cc(C2CC2)no1 ZINC000639136181 353845896 /nfs/dbraw/zinc/84/58/96/353845896.db2.gz ZWBIFAVCEOEDRM-ZYHUDNBSSA-N 0 3 234.343 3.078 20 0 BGADHN CN([C@@H](c1nccn1C)C1CC1)C1(C)CCCC1 ZINC000639136269 353844094 /nfs/dbraw/zinc/84/40/94/353844094.db2.gz WGMWBDCGVRKSTB-CYBMUJFWSA-N 0 3 247.386 3.136 20 0 BGADHN CN([C@H](c1nccn1C)C1CC1)C1(C)CCCC1 ZINC000639136271 353844245 /nfs/dbraw/zinc/84/42/45/353844245.db2.gz WGMWBDCGVRKSTB-ZDUSSCGKSA-N 0 3 247.386 3.136 20 0 BGADHN c1cc(CN[C@@H]2C[C@@H](c3ccccc3)C2)sn1 ZINC000639146639 353852074 /nfs/dbraw/zinc/85/20/74/353852074.db2.gz QPJWKQTXWNQJSQ-JOCQHMNTSA-N 0 3 244.363 3.179 20 0 BGADHN C[C@H]1CCCC[C@H]1N(C)Cc1ccns1 ZINC000639148576 353852308 /nfs/dbraw/zinc/85/23/08/353852308.db2.gz FKTPKPPVXVBINR-CMPLNLGQSA-N 0 3 224.373 3.154 20 0 BGADHN C[C@H]1CCCC[C@@H]1N(C)Cc1ccns1 ZINC000639148577 353852127 /nfs/dbraw/zinc/85/21/27/353852127.db2.gz FKTPKPPVXVBINR-JQWIXIFHSA-N 0 3 224.373 3.154 20 0 BGADHN C[C@@H]1CCCC[C@@H]1N(C)Cc1ccns1 ZINC000639148578 353852405 /nfs/dbraw/zinc/85/24/05/353852405.db2.gz FKTPKPPVXVBINR-PWSUYJOCSA-N 0 3 224.373 3.154 20 0 BGADHN C[C@@H]1CCCC[C@H]1N(C)Cc1ccns1 ZINC000639148579 353852292 /nfs/dbraw/zinc/85/22/92/353852292.db2.gz FKTPKPPVXVBINR-ZYHUDNBSSA-N 0 3 224.373 3.154 20 0 BGADHN CC[C@@](C)(CN1CCC=C(c2ccco2)C1)OC ZINC000639156371 353877753 /nfs/dbraw/zinc/87/77/53/353877753.db2.gz GSFIKWVWTHYEBP-HNNXBMFYSA-N 0 3 249.354 3.184 20 0 BGADHN CC[C@](C)(CN1CCC=C(c2ccco2)C1)OC ZINC000639156372 353877554 /nfs/dbraw/zinc/87/75/54/353877554.db2.gz GSFIKWVWTHYEBP-OAHLLOKOSA-N 0 3 249.354 3.184 20 0 BGADHN Cc1cc(CN2CCC3(CCC3)CC2)sn1 ZINC000639164959 353984755 /nfs/dbraw/zinc/98/47/55/353984755.db2.gz UYGQKQQTXWBONO-UHFFFAOYSA-N 0 3 236.384 3.218 20 0 BGADHN CCN(Cc1ccncc1)CC1(C(C)C)CC1 ZINC000639167457 354053429 /nfs/dbraw/zinc/05/34/29/354053429.db2.gz FPLJOYAJTXSHQV-UHFFFAOYSA-N 0 3 232.371 3.340 20 0 BGADHN CCC[C@H](CN1CCC[C@H]1c1ccncc1)OC ZINC000639167734 354039884 /nfs/dbraw/zinc/03/98/84/354039884.db2.gz KPAGPGVXPJJMFJ-CABCVRRESA-N 0 3 248.370 3.034 20 0 BGADHN CCC[C@@H](CN1CCC[C@H]1c1ccncc1)OC ZINC000639167735 354039844 /nfs/dbraw/zinc/03/98/44/354039844.db2.gz KPAGPGVXPJJMFJ-GJZGRUSLSA-N 0 3 248.370 3.034 20 0 BGADHN CCC[C@H](CN1CCC[C@@H]1c1ccncc1)OC ZINC000639167736 354039794 /nfs/dbraw/zinc/03/97/94/354039794.db2.gz KPAGPGVXPJJMFJ-HUUCEWRRSA-N 0 3 248.370 3.034 20 0 BGADHN CCC[C@@H](CN1CCC[C@@H]1c1ccncc1)OC ZINC000639167737 354039657 /nfs/dbraw/zinc/03/96/57/354039657.db2.gz KPAGPGVXPJJMFJ-LSDHHAIUSA-N 0 3 248.370 3.034 20 0 BGADHN CCC[C@H](CN1CCC[C@H]1c1cccnc1)OC ZINC000639168759 354055512 /nfs/dbraw/zinc/05/55/12/354055512.db2.gz XZUICBNJECLTME-CABCVRRESA-N 0 3 248.370 3.034 20 0 BGADHN CCC[C@@H](CN1CCC[C@H]1c1cccnc1)OC ZINC000639168760 354055681 /nfs/dbraw/zinc/05/56/81/354055681.db2.gz XZUICBNJECLTME-GJZGRUSLSA-N 0 3 248.370 3.034 20 0 BGADHN CCC[C@H](CN1CCC[C@@H]1c1cccnc1)OC ZINC000639168761 354056428 /nfs/dbraw/zinc/05/64/28/354056428.db2.gz XZUICBNJECLTME-HUUCEWRRSA-N 0 3 248.370 3.034 20 0 BGADHN CCC[C@@H](CN1CCC[C@@H]1c1cccnc1)OC ZINC000639168762 354056457 /nfs/dbraw/zinc/05/64/57/354056457.db2.gz XZUICBNJECLTME-LSDHHAIUSA-N 0 3 248.370 3.034 20 0 BGADHN CC[C@@H]1CC[C@@H](C)N1Cc1cc(C)ns1 ZINC000639181526 354308383 /nfs/dbraw/zinc/30/83/83/354308383.db2.gz XVUSKCDAQNIXJM-GHMZBOCLSA-N 0 3 224.373 3.214 20 0 BGADHN CC[C@H]1CC[C@@H](C)N1Cc1cc(C)ns1 ZINC000639181528 354308930 /nfs/dbraw/zinc/30/89/30/354308930.db2.gz XVUSKCDAQNIXJM-MNOVXSKESA-N 0 3 224.373 3.214 20 0 BGADHN CC[C@H]1CC[C@H](C)N1Cc1cc(C)ns1 ZINC000639181531 354308643 /nfs/dbraw/zinc/30/86/43/354308643.db2.gz XVUSKCDAQNIXJM-QWRGUYRKSA-N 0 3 224.373 3.214 20 0 BGADHN CC[C@@H]1CC[C@H](C)N1Cc1cc(C)ns1 ZINC000639181533 354308627 /nfs/dbraw/zinc/30/86/27/354308627.db2.gz XVUSKCDAQNIXJM-WDEREUQCSA-N 0 3 224.373 3.214 20 0 BGADHN C[C@H](CF)N[C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000639182470 354335188 /nfs/dbraw/zinc/33/51/88/354335188.db2.gz GJDQOSDOHYZKGJ-CHWFTXMASA-N 0 3 227.348 3.188 20 0 BGADHN C[C@H](CF)N[C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000639182471 354335105 /nfs/dbraw/zinc/33/51/05/354335105.db2.gz GJDQOSDOHYZKGJ-VPOLOUISSA-N 0 3 227.348 3.188 20 0 BGADHN C[C@@H](CF)N[C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000639182472 354335083 /nfs/dbraw/zinc/33/50/83/354335083.db2.gz GJDQOSDOHYZKGJ-XWLWVQCSSA-N 0 3 227.348 3.188 20 0 BGADHN C[C@@H](N[C@@H](C)CF)[C@@H]1C[C@H]1c1cccs1 ZINC000639182473 354334836 /nfs/dbraw/zinc/33/48/36/354334836.db2.gz GJDQOSDOHYZKGJ-ZRUFSTJUSA-N 0 3 227.348 3.188 20 0 BGADHN C[C@@H](CF)N[C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000639182730 354337807 /nfs/dbraw/zinc/33/78/07/354337807.db2.gz KMVSVRLHNDWTRV-IMIFBBOLSA-N 0 3 221.319 3.126 20 0 BGADHN C[C@H](CF)N[C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000639182731 354337979 /nfs/dbraw/zinc/33/79/79/354337979.db2.gz KMVSVRLHNDWTRV-RFHZTLPTSA-N 0 3 221.319 3.126 20 0 BGADHN C[C@@H](N[C@@H](C)CF)[C@@H]1C[C@H]1c1ccccc1 ZINC000639182732 354337913 /nfs/dbraw/zinc/33/79/13/354337913.db2.gz KMVSVRLHNDWTRV-XCCSTKFXSA-N 0 3 221.319 3.126 20 0 BGADHN C[C@H](CF)N[C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000639182733 354338562 /nfs/dbraw/zinc/33/85/62/354338562.db2.gz KMVSVRLHNDWTRV-XWUBHJNHSA-N 0 3 221.319 3.126 20 0 BGADHN C[C@@H](CF)NC[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000639183099 354342548 /nfs/dbraw/zinc/34/25/48/354342548.db2.gz ONEIMOJVHMRIHQ-IACUBPJLSA-N 0 3 221.319 3.128 20 0 BGADHN C[C@H](CF)NC[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000639183100 354342239 /nfs/dbraw/zinc/34/22/39/354342239.db2.gz ONEIMOJVHMRIHQ-MRVWCRGKSA-N 0 3 221.319 3.128 20 0 BGADHN C[C@H](CF)N[C@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000639183183 354337210 /nfs/dbraw/zinc/33/72/10/354337210.db2.gz QMFUGLPMMBEYQN-GRYCIOLGSA-N 0 3 243.366 3.060 20 0 BGADHN C[C@H](CF)N[C@@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000639183184 354337334 /nfs/dbraw/zinc/33/73/34/354337334.db2.gz QMFUGLPMMBEYQN-IJLUTSLNSA-N 0 3 243.366 3.060 20 0 BGADHN C[C@H](CF)N[C@@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000639183285 354339276 /nfs/dbraw/zinc/33/92/76/354339276.db2.gz QMFUGLPMMBEYQN-UTUOFQBUSA-N 0 3 243.366 3.060 20 0 BGADHN C[C@H](CF)N[C@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000639183286 354339509 /nfs/dbraw/zinc/33/95/09/354339509.db2.gz QMFUGLPMMBEYQN-WOPDTQHZSA-N 0 3 243.366 3.060 20 0 BGADHN C[C@H](CCc1c[nH]c2ccccc12)N[C@@H](C)CF ZINC000639183383 354351403 /nfs/dbraw/zinc/35/14/03/354351403.db2.gz SOWRETHBCYHXJT-NEPJUHHUSA-N 0 3 248.345 3.437 20 0 BGADHN C[C@H](CF)N[C@@H](C)CCc1c[nH]c2ccccc12 ZINC000639183384 354351672 /nfs/dbraw/zinc/35/16/72/354351672.db2.gz SOWRETHBCYHXJT-NWDGAFQWSA-N 0 3 248.345 3.437 20 0 BGADHN C[C@@H](CF)N[C@@H](C)CCc1c[nH]c2ccccc12 ZINC000639183533 354354571 /nfs/dbraw/zinc/35/45/71/354354571.db2.gz SOWRETHBCYHXJT-RYUDHWBXSA-N 0 3 248.345 3.437 20 0 BGADHN C[C@H](CF)N[C@H](C)CCc1c[nH]c2ccccc12 ZINC000639183535 354354508 /nfs/dbraw/zinc/35/45/08/354354508.db2.gz SOWRETHBCYHXJT-VXGBXAGGSA-N 0 3 248.345 3.437 20 0 BGADHN C[C@H](Cc1ccc(F)cc1Cl)N[C@@H](C)CF ZINC000639183885 354378847 /nfs/dbraw/zinc/37/88/47/354378847.db2.gz WNSPDXYZLNKKJF-BDAKNGLRSA-N 0 3 247.716 3.358 20 0 BGADHN C[C@H](CF)N[C@@H](C)Cc1ccc(F)cc1Cl ZINC000639183890 354378988 /nfs/dbraw/zinc/37/89/88/354378988.db2.gz WNSPDXYZLNKKJF-DTWKUNHWSA-N 0 3 247.716 3.358 20 0 BGADHN C[C@@H](CF)N[C@@H](C)Cc1ccc(F)cc1Cl ZINC000639183891 354378749 /nfs/dbraw/zinc/37/87/49/354378749.db2.gz WNSPDXYZLNKKJF-IUCAKERBSA-N 0 3 247.716 3.358 20 0 BGADHN C[C@H](CF)N[C@H](C)Cc1ccc(F)cc1Cl ZINC000639183892 354378823 /nfs/dbraw/zinc/37/88/23/354378823.db2.gz WNSPDXYZLNKKJF-RKDXNWHRSA-N 0 3 247.716 3.358 20 0 BGADHN CC(C)O[C@H](CN[C@@H](C)CF)c1ccccc1 ZINC000639184037 354360855 /nfs/dbraw/zinc/36/08/55/354360855.db2.gz ZNTUIZUYMNJLQD-GXTWGEPZSA-N 0 3 239.334 3.100 20 0 BGADHN CC(C)O[C@@H](CN[C@@H](C)CF)c1ccccc1 ZINC000639184038 354360589 /nfs/dbraw/zinc/36/05/89/354360589.db2.gz ZNTUIZUYMNJLQD-JSGCOSHPSA-N 0 3 239.334 3.100 20 0 BGADHN CC(C)O[C@@H](CN[C@H](C)CF)c1ccccc1 ZINC000639184039 354360757 /nfs/dbraw/zinc/36/07/57/354360757.db2.gz ZNTUIZUYMNJLQD-OCCSQVGLSA-N 0 3 239.334 3.100 20 0 BGADHN CC(C)O[C@H](CN[C@H](C)CF)c1ccccc1 ZINC000639184040 354360378 /nfs/dbraw/zinc/36/03/78/354360378.db2.gz ZNTUIZUYMNJLQD-TZMCWYRMSA-N 0 3 239.334 3.100 20 0 BGADHN CN(Cc1ccns1)C1CCC(F)(F)CC1 ZINC000639184678 354378687 /nfs/dbraw/zinc/37/86/87/354378687.db2.gz WRTQVZGUJAXUPN-UHFFFAOYSA-N 0 3 246.326 3.153 20 0 BGADHN Cc1cc(CN2CCC[C@@H](C3CC3)C2)sn1 ZINC000639185198 354379267 /nfs/dbraw/zinc/37/92/67/354379267.db2.gz JCALUSBWSXKDDW-GFCCVEGCSA-N 0 3 236.384 3.074 20 0 BGADHN Cc1cc(CN2CCC[C@H](C3CC3)C2)sn1 ZINC000639185199 354379402 /nfs/dbraw/zinc/37/94/02/354379402.db2.gz JCALUSBWSXKDDW-LBPRGKRZSA-N 0 3 236.384 3.074 20 0 BGADHN Nc1c(F)cccc1CN1CCC[C@@H](C2CC2)C1 ZINC000639185219 354379389 /nfs/dbraw/zinc/37/93/89/354379389.db2.gz JSWHFOURSTZZAQ-GFCCVEGCSA-N 0 3 248.345 3.030 20 0 BGADHN Nc1c(F)cccc1CN1CCC[C@H](C2CC2)C1 ZINC000639185220 354379371 /nfs/dbraw/zinc/37/93/71/354379371.db2.gz JSWHFOURSTZZAQ-LBPRGKRZSA-N 0 3 248.345 3.030 20 0 BGADHN CCC(CC)N(CC)Cc1ccns1 ZINC000639186063 354379911 /nfs/dbraw/zinc/37/99/11/354379911.db2.gz HVTMXQASZMEGFJ-UHFFFAOYSA-N 0 3 212.362 3.154 20 0 BGADHN CCC(CC)N(CC)[C@H](c1nccn1C)C1CC1 ZINC000639186974 354387715 /nfs/dbraw/zinc/38/77/15/354387715.db2.gz WKGLBQYXTFNHOL-AWEZNQCLSA-N 0 3 249.402 3.382 20 0 BGADHN CCC(CC)N(CC)[C@@H](c1nccn1C)C1CC1 ZINC000639186975 354387973 /nfs/dbraw/zinc/38/79/73/354387973.db2.gz WKGLBQYXTFNHOL-CQSZACIVSA-N 0 3 249.402 3.382 20 0 BGADHN CC[C@H](NCc1noc2c1CCCC2)[C@H]1C[C@@H]1C ZINC000639189425 354454769 /nfs/dbraw/zinc/45/47/69/354454769.db2.gz ZIFJWRWCQXXAAD-DRZSPHRISA-N 0 3 248.370 3.078 20 0 BGADHN CC[C@H](NCc1noc2c1CCCC2)[C@@H]1C[C@H]1C ZINC000639189426 354454813 /nfs/dbraw/zinc/45/48/13/354454813.db2.gz ZIFJWRWCQXXAAD-RTXFEEFZSA-N 0 3 248.370 3.078 20 0 BGADHN CC[C@H](NCc1noc2c1CCCC2)[C@@H]1C[C@@H]1C ZINC000639189427 354454838 /nfs/dbraw/zinc/45/48/38/354454838.db2.gz ZIFJWRWCQXXAAD-UHTWSYAYSA-N 0 3 248.370 3.078 20 0 BGADHN CC[C@H](NCc1noc2c1CCCC2)[C@H]1C[C@H]1C ZINC000639189428 354455339 /nfs/dbraw/zinc/45/53/39/354455339.db2.gz ZIFJWRWCQXXAAD-WXHSDQCUSA-N 0 3 248.370 3.078 20 0 BGADHN CC1(C)CN(Cc2cccc(F)c2N)[C@H]1C1CC1 ZINC000639190532 354430067 /nfs/dbraw/zinc/43/00/67/354430067.db2.gz NISYPJAETYNPEA-AWEZNQCLSA-N 0 3 248.345 3.028 20 0 BGADHN CC1(C)CN(Cc2cccc(F)c2N)[C@@H]1C1CC1 ZINC000639190538 354430253 /nfs/dbraw/zinc/43/02/53/354430253.db2.gz NISYPJAETYNPEA-CQSZACIVSA-N 0 3 248.345 3.028 20 0 BGADHN CC1(C2CC2)CCN(Cc2ccns2)CC1 ZINC000639191415 354512510 /nfs/dbraw/zinc/51/25/10/354512510.db2.gz JHAALGWEAROEBE-UHFFFAOYSA-N 0 3 236.384 3.155 20 0 BGADHN Cc1scc(CN2CC(C3CC3)C2)c1C ZINC000639194986 354595106 /nfs/dbraw/zinc/59/51/06/354595106.db2.gz AWLLMCWADQQAAL-UHFFFAOYSA-N 0 3 221.369 3.207 20 0 BGADHN Cn1c(CN2CC(C3CC3)C2)cc2ccccc21 ZINC000639195800 354597260 /nfs/dbraw/zinc/59/72/60/354597260.db2.gz KAIGOGSQSPCRST-UHFFFAOYSA-N 0 3 240.350 3.020 20 0 BGADHN CCCC[C@H](C)N(C)Cc1ccns1 ZINC000639197328 354601091 /nfs/dbraw/zinc/60/10/91/354601091.db2.gz HUMPPXRVZGZLFX-JTQLQIEISA-N 0 3 212.362 3.154 20 0 BGADHN CCCC[C@@H](C)N(C)Cc1ccns1 ZINC000639197329 354601248 /nfs/dbraw/zinc/60/12/48/354601248.db2.gz HUMPPXRVZGZLFX-SNVBAGLBSA-N 0 3 212.362 3.154 20 0 BGADHN CCN(CC(C)(C)C)[C@@H](c1nccn1C)C1CC1 ZINC000639197560 354598731 /nfs/dbraw/zinc/59/87/31/354598731.db2.gz RJQXGHRINGVKAK-CYBMUJFWSA-N 0 3 249.402 3.239 20 0 BGADHN CCN(CC(C)(C)C)[C@H](c1nccn1C)C1CC1 ZINC000639197561 354598479 /nfs/dbraw/zinc/59/84/79/354598479.db2.gz RJQXGHRINGVKAK-ZDUSSCGKSA-N 0 3 249.402 3.239 20 0 BGADHN CCCC[C@H](C)N(C)[C@@H](c1nccn1C)C1CC1 ZINC000639198249 354599981 /nfs/dbraw/zinc/59/99/81/354599981.db2.gz PFNPPCTXDPJDBV-GXTWGEPZSA-N 0 3 249.402 3.382 20 0 BGADHN CCCC[C@H](C)N(C)[C@H](c1nccn1C)C1CC1 ZINC000639198250 354599882 /nfs/dbraw/zinc/59/98/82/354599882.db2.gz PFNPPCTXDPJDBV-JSGCOSHPSA-N 0 3 249.402 3.382 20 0 BGADHN CCCC[C@@H](C)N(C)[C@H](c1nccn1C)C1CC1 ZINC000639198252 354599896 /nfs/dbraw/zinc/59/98/96/354599896.db2.gz PFNPPCTXDPJDBV-OCCSQVGLSA-N 0 3 249.402 3.382 20 0 BGADHN CCCC[C@@H](C)N(C)[C@@H](c1nccn1C)C1CC1 ZINC000639198254 354599946 /nfs/dbraw/zinc/59/99/46/354599946.db2.gz PFNPPCTXDPJDBV-TZMCWYRMSA-N 0 3 249.402 3.382 20 0 BGADHN CCN(Cc1ccns1)CC(C)(C)C ZINC000639198371 354600001 /nfs/dbraw/zinc/60/00/01/354600001.db2.gz YNRSCZXXUKMQFR-UHFFFAOYSA-N 0 3 212.362 3.011 20 0 BGADHN Nc1c(F)cccc1CN1CCC(C2CC2)CC1 ZINC000639201261 354605922 /nfs/dbraw/zinc/60/59/22/354605922.db2.gz HHMOPGROQMZSBJ-UHFFFAOYSA-N 0 3 248.345 3.030 20 0 BGADHN Cc1cc(CN2CCC(C3CC3)CC2)sn1 ZINC000639201765 354606316 /nfs/dbraw/zinc/60/63/16/354606316.db2.gz LXNAYKZDLYDCQT-UHFFFAOYSA-N 0 3 236.384 3.074 20 0 BGADHN Cc1cc(CN(C2CCC2)C2CCC2)sn1 ZINC000639203189 354612156 /nfs/dbraw/zinc/61/21/56/354612156.db2.gz HHQGITGUHCAAST-UHFFFAOYSA-N 0 3 236.384 3.359 20 0 BGADHN c1cc(CN(C2CCC2)C2CCC2)sn1 ZINC000639203521 354624962 /nfs/dbraw/zinc/62/49/62/354624962.db2.gz KYBZGVMODQONCR-UHFFFAOYSA-N 0 3 222.357 3.050 20 0 BGADHN CCc1nc(C)c(CNCC2(C(C)C)CC2)o1 ZINC000639203708 354631746 /nfs/dbraw/zinc/63/17/46/354631746.db2.gz XAVLCBMAEPMAKD-UHFFFAOYSA-N 0 3 236.359 3.071 20 0 BGADHN CCCc1nc(C)c(CNC[C@@H]2C[C@H]3C[C@H]3C2)o1 ZINC000639204131 354619311 /nfs/dbraw/zinc/61/93/11/354619311.db2.gz OYWBZPARDWZSDE-CLLJXQQHSA-N 0 3 248.370 3.071 20 0 BGADHN CC(C)(C)C(C)(C)NCc1cc(C2CC2)no1 ZINC000639204457 354655228 /nfs/dbraw/zinc/65/52/28/354655228.db2.gz PXIOGBLUAYYIGN-UHFFFAOYSA-N 0 3 236.359 3.466 20 0 BGADHN Cn1ccnc1[C@H](NC(C)(C)C(C)(C)C)C1CC1 ZINC000639204463 354655188 /nfs/dbraw/zinc/65/51/88/354655188.db2.gz QAYXVRYIVOZYBE-GFCCVEGCSA-N 0 3 249.402 3.286 20 0 BGADHN Cn1ccnc1[C@@H](NC(C)(C)C(C)(C)C)C1CC1 ZINC000639204464 354655180 /nfs/dbraw/zinc/65/51/80/354655180.db2.gz QAYXVRYIVOZYBE-LBPRGKRZSA-N 0 3 249.402 3.286 20 0 BGADHN CC[C@H]1CC[C@H](NCc2ccns2)CC1 ZINC000639205530 354657257 /nfs/dbraw/zinc/65/72/57/354657257.db2.gz XFNBQXKZEDCTCI-XYPYZODXSA-N 0 3 224.373 3.202 20 0 BGADHN CCc1noc(C)c1CNCC1(C(C)C)CC1 ZINC000639205537 354656839 /nfs/dbraw/zinc/65/68/39/354656839.db2.gz KGIGVTNAKFILIU-UHFFFAOYSA-N 0 3 236.359 3.071 20 0 BGADHN C[C@@H](CF)N[C@@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000639206468 354679976 /nfs/dbraw/zinc/67/99/76/354679976.db2.gz QMFUGLPMMBEYQN-QJPTWQEYSA-N 0 3 243.366 3.060 20 0 BGADHN C[C@@H](CF)N[C@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000639206469 354680195 /nfs/dbraw/zinc/68/01/95/354680195.db2.gz QMFUGLPMMBEYQN-SDDRHHMPSA-N 0 3 243.366 3.060 20 0 BGADHN C[C@@H](CF)N[C@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000639206470 354680055 /nfs/dbraw/zinc/68/00/55/354680055.db2.gz QMFUGLPMMBEYQN-SRVKXCTJSA-N 0 3 243.366 3.060 20 0 BGADHN C[C@@H](CF)N[C@@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000639206471 354680009 /nfs/dbraw/zinc/68/00/09/354680009.db2.gz QMFUGLPMMBEYQN-TUAOUCFPSA-N 0 3 243.366 3.060 20 0 BGADHN CCc1noc(C)c1CNC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000639206539 354680747 /nfs/dbraw/zinc/68/07/47/354680747.db2.gz UBOSPTSESONTLF-FRRDWIJNSA-N 0 3 248.370 3.071 20 0 BGADHN CCc1noc(C)c1CNC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000639206548 354680487 /nfs/dbraw/zinc/68/04/87/354680487.db2.gz UBOSPTSESONTLF-UPJWGTAASA-N 0 3 248.370 3.071 20 0 BGADHN Cc1cc(CNC2CC(C(C)(C)C)C2)sn1 ZINC000639207994 354700130 /nfs/dbraw/zinc/70/01/30/354700130.db2.gz MTLWSMZQYBZKGA-UHFFFAOYSA-N 0 3 238.400 3.366 20 0 BGADHN CC(C)(C)C1CC(NCc2cc(C3CC3)no2)C1 ZINC000639208191 354705454 /nfs/dbraw/zinc/70/54/54/354705454.db2.gz PVDZZYVWJVXNQN-UHFFFAOYSA-N 0 3 248.370 3.466 20 0 BGADHN CCc1nocc1CN(C)CC1(C(C)C)CC1 ZINC000639209382 354717246 /nfs/dbraw/zinc/71/72/46/354717246.db2.gz UFZFCHUBXJCBCA-UHFFFAOYSA-N 0 3 236.359 3.105 20 0 BGADHN CC1(C)CN(Cc2ccns2)[C@H]2CCC[C@H]21 ZINC000639209469 354739395 /nfs/dbraw/zinc/73/93/95/354739395.db2.gz ACULWRBWYRMVCF-NEPJUHHUSA-N 0 3 236.384 3.154 20 0 BGADHN CC1(C)CN(Cc2ccns2)[C@@H]2CCC[C@@H]21 ZINC000639209470 354739268 /nfs/dbraw/zinc/73/92/68/354739268.db2.gz ACULWRBWYRMVCF-NWDGAFQWSA-N 0 3 236.384 3.154 20 0 BGADHN CC1(C)CN(Cc2ccns2)[C@H]2CCC[C@@H]21 ZINC000639209471 354739232 /nfs/dbraw/zinc/73/92/32/354739232.db2.gz ACULWRBWYRMVCF-RYUDHWBXSA-N 0 3 236.384 3.154 20 0 BGADHN CC1(C)CN(Cc2ccns2)[C@@H]2CCC[C@H]21 ZINC000639209472 354739123 /nfs/dbraw/zinc/73/91/23/354739123.db2.gz ACULWRBWYRMVCF-VXGBXAGGSA-N 0 3 236.384 3.154 20 0 BGADHN CC(C)(CCNCc1cc(C2CC2)no1)C1CC1 ZINC000639211182 354748402 /nfs/dbraw/zinc/74/84/02/354748402.db2.gz SBJLFMBXMXVCSV-UHFFFAOYSA-N 0 3 248.370 3.468 20 0 BGADHN CC1(C)CCC[C@@H]1CNCc1cc(C2CC2)no1 ZINC000639211614 354760251 /nfs/dbraw/zinc/76/02/51/354760251.db2.gz VRNOLIQYLLLWOX-GFCCVEGCSA-N 0 3 248.370 3.468 20 0 BGADHN CC1(C)CCC[C@H]1CNCc1cc(C2CC2)no1 ZINC000639211616 354760244 /nfs/dbraw/zinc/76/02/44/354760244.db2.gz VRNOLIQYLLLWOX-LBPRGKRZSA-N 0 3 248.370 3.468 20 0 BGADHN COc1cccc(C)c1CNCCC(C)(F)F ZINC000639213556 354791587 /nfs/dbraw/zinc/79/15/87/354791587.db2.gz ICKUOJLTOPWFAO-UHFFFAOYSA-N 0 3 243.297 3.139 20 0 BGADHN CC(F)(F)CCCNCc1cc(C2CC2)no1 ZINC000639216166 354840205 /nfs/dbraw/zinc/84/02/05/354840205.db2.gz QGMCEFMGQQKCTE-UHFFFAOYSA-N 0 3 244.285 3.077 20 0 BGADHN COCC(C)(C)N(C)Cc1csc(C)c1C ZINC000639220666 354881667 /nfs/dbraw/zinc/88/16/67/354881667.db2.gz IFVWHEWFXQDFGD-UHFFFAOYSA-N 0 3 241.400 3.222 20 0 BGADHN Cn1c(CN2CC[C@H]2C2CC2)cc2ccccc21 ZINC000639221594 354898996 /nfs/dbraw/zinc/89/89/96/354898996.db2.gz DADRRWJSGXZOFZ-INIZCTEOSA-N 0 3 240.350 3.163 20 0 BGADHN Cn1c(CN2CC[C@@H]2C2CC2)cc2ccccc21 ZINC000639221596 354899781 /nfs/dbraw/zinc/89/97/81/354899781.db2.gz DADRRWJSGXZOFZ-MRXNPFEDSA-N 0 3 240.350 3.163 20 0 BGADHN FC(F)c1ccc(CN2CC[C@@H]2C2CC2)cn1 ZINC000639222279 354908017 /nfs/dbraw/zinc/90/80/17/354908017.db2.gz JZUNRAJDMVWREI-GFCCVEGCSA-N 0 3 238.281 3.004 20 0 BGADHN FC(F)c1ccc(CN2CC[C@H]2C2CC2)cn1 ZINC000639222280 354907877 /nfs/dbraw/zinc/90/78/77/354907877.db2.gz JZUNRAJDMVWREI-LBPRGKRZSA-N 0 3 238.281 3.004 20 0 BGADHN CCC1(N[C@@H](c2nccn2C)C2CC2)CCCC1 ZINC000639222743 354948470 /nfs/dbraw/zinc/94/84/70/354948470.db2.gz NITVRNRJCXQDHO-CYBMUJFWSA-N 0 3 247.386 3.184 20 0 BGADHN CCC1(N[C@H](c2nccn2C)C2CC2)CCCC1 ZINC000639222745 354948674 /nfs/dbraw/zinc/94/86/74/354948674.db2.gz NITVRNRJCXQDHO-ZDUSSCGKSA-N 0 3 247.386 3.184 20 0 BGADHN CC[C@H]1CCC[C@H]1CNCc1cc(C2CC2)no1 ZINC000639223108 354927176 /nfs/dbraw/zinc/92/71/76/354927176.db2.gz REBHZBMMYLPXQH-AAEUAGOBSA-N 0 3 248.370 3.468 20 0 BGADHN CC[C@@H]1CCC[C@@H]1CNCc1cc(C2CC2)no1 ZINC000639223109 354927408 /nfs/dbraw/zinc/92/74/08/354927408.db2.gz REBHZBMMYLPXQH-DGCLKSJQSA-N 0 3 248.370 3.468 20 0 BGADHN CC[C@H]1CCC[C@@H]1CNCc1cc(C2CC2)no1 ZINC000639223110 354927696 /nfs/dbraw/zinc/92/76/96/354927696.db2.gz REBHZBMMYLPXQH-WCQYABFASA-N 0 3 248.370 3.468 20 0 BGADHN CC[C@@H]1CCC[C@H]1CNCc1cc(C2CC2)no1 ZINC000639223111 354927064 /nfs/dbraw/zinc/92/70/64/354927064.db2.gz REBHZBMMYLPXQH-YPMHNXCESA-N 0 3 248.370 3.468 20 0 BGADHN Cc1ccoc1CN(C)CC1CCSCC1 ZINC000639224506 354963111 /nfs/dbraw/zinc/96/31/11/354963111.db2.gz RPNLEXYRIIKSFB-UHFFFAOYSA-N 0 3 239.384 3.163 20 0 BGADHN Cc1nocc1CN[C@H](C)C1CCCCCC1 ZINC000639226183 355080249 /nfs/dbraw/zinc/08/02/49/355080249.db2.gz DDMOQFQPRRJJNO-LLVKDONJSA-N 0 3 236.359 3.432 20 0 BGADHN Cc1nocc1CN[C@@H](C)C1CCCCCC1 ZINC000639226184 355080511 /nfs/dbraw/zinc/08/05/11/355080511.db2.gz DDMOQFQPRRJJNO-NSHDSACASA-N 0 3 236.359 3.432 20 0 BGADHN Cc1nocc1CNC1CCC(=C2CCC2)CC1 ZINC000639226993 355051942 /nfs/dbraw/zinc/05/19/42/355051942.db2.gz ITHACPPGFZUMQY-UHFFFAOYSA-N 0 3 246.354 3.496 20 0 BGADHN CCCC[C@@H](C)[C@@H](C)NCc1conc1C ZINC000639227126 355057843 /nfs/dbraw/zinc/05/78/43/355057843.db2.gz KFAJCQHYWPGGFT-GHMZBOCLSA-N 0 3 224.348 3.287 20 0 BGADHN CCCC[C@@H](C)[C@H](C)NCc1conc1C ZINC000639227127 355057939 /nfs/dbraw/zinc/05/79/39/355057939.db2.gz KFAJCQHYWPGGFT-MNOVXSKESA-N 0 3 224.348 3.287 20 0 BGADHN CCCC[C@H](C)[C@H](C)NCc1conc1C ZINC000639227128 355057812 /nfs/dbraw/zinc/05/78/12/355057812.db2.gz KFAJCQHYWPGGFT-QWRGUYRKSA-N 0 3 224.348 3.287 20 0 BGADHN CCCC[C@H](C)[C@@H](C)NCc1conc1C ZINC000639227129 355058816 /nfs/dbraw/zinc/05/88/16/355058816.db2.gz KFAJCQHYWPGGFT-WDEREUQCSA-N 0 3 224.348 3.287 20 0 BGADHN CC(C)(CNCc1cc(C2CC2)no1)C1CCC1 ZINC000639228246 355104272 /nfs/dbraw/zinc/10/42/72/355104272.db2.gz JELALUVNYBVXSR-UHFFFAOYSA-N 0 3 248.370 3.468 20 0 BGADHN CC[C@]1(C)CCC[C@H]1NCc1conc1C ZINC000639228596 355113319 /nfs/dbraw/zinc/11/33/19/355113319.db2.gz UYTSSJRQBBJYLE-CHWSQXEVSA-N 0 3 222.332 3.041 20 0 BGADHN CC[C@@]1(C)CCC[C@H]1NCc1conc1C ZINC000639228597 355113308 /nfs/dbraw/zinc/11/33/08/355113308.db2.gz UYTSSJRQBBJYLE-OLZOCXBDSA-N 0 3 222.332 3.041 20 0 BGADHN CC[C@]1(C)CCC[C@@H]1NCc1conc1C ZINC000639228598 355113481 /nfs/dbraw/zinc/11/34/81/355113481.db2.gz UYTSSJRQBBJYLE-QWHCGFSZSA-N 0 3 222.332 3.041 20 0 BGADHN CC[C@@]1(C)CCC[C@@H]1NCc1conc1C ZINC000639228599 355113224 /nfs/dbraw/zinc/11/32/24/355113224.db2.gz UYTSSJRQBBJYLE-STQMWFEESA-N 0 3 222.332 3.041 20 0 BGADHN Cc1nocc1CN[C@@H](C)CC1CCCC1 ZINC000639228847 355109572 /nfs/dbraw/zinc/10/95/72/355109572.db2.gz WHIPFGRRWXSJGT-JTQLQIEISA-N 0 3 222.332 3.041 20 0 BGADHN Cc1nocc1CN[C@H](C)CC1CCCC1 ZINC000639228848 355109106 /nfs/dbraw/zinc/10/91/06/355109106.db2.gz WHIPFGRRWXSJGT-SNVBAGLBSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1cc(CN2C[C@@H]3CCCC[C@@H]3C2)sn1 ZINC000639230952 355175807 /nfs/dbraw/zinc/17/58/07/355175807.db2.gz RLIXLWLRPQIFDJ-TXEJJXNPSA-N 0 3 236.384 3.074 20 0 BGADHN Cc1cc(CN2C[C@@H](C3CC3)[C@@H]2C2CC2)sn1 ZINC000639233067 355214505 /nfs/dbraw/zinc/21/45/05/355214505.db2.gz UWODBWIMBVBRLI-KBPBESRZSA-N 0 3 248.395 3.072 20 0 BGADHN Cc1cc(CN2C[C@H](C3CC3)[C@@H]2C2CC2)sn1 ZINC000639233068 355215029 /nfs/dbraw/zinc/21/50/29/355215029.db2.gz UWODBWIMBVBRLI-KGLIPLIRSA-N 0 3 248.395 3.072 20 0 BGADHN Cc1cc(CN2C[C@@H](C3CC3)[C@H]2C2CC2)sn1 ZINC000639233069 355214879 /nfs/dbraw/zinc/21/48/79/355214879.db2.gz UWODBWIMBVBRLI-UONOGXRCSA-N 0 3 248.395 3.072 20 0 BGADHN Cc1cc(CN2C[C@H](C3CC3)[C@H]2C2CC2)sn1 ZINC000639233070 355214414 /nfs/dbraw/zinc/21/44/14/355214414.db2.gz UWODBWIMBVBRLI-ZIAGYGMSSA-N 0 3 248.395 3.072 20 0 BGADHN Cc1cc(CN2C[C@@H](C(C)C)[C@@H]2C(C)C)on1 ZINC000639233407 355215553 /nfs/dbraw/zinc/21/55/53/355215553.db2.gz ZYZQRFXQLZWLOC-KBPBESRZSA-N 0 3 236.359 3.095 20 0 BGADHN Cc1cc(CN2C[C@H](C(C)C)[C@@H]2C(C)C)on1 ZINC000639233408 355215902 /nfs/dbraw/zinc/21/59/02/355215902.db2.gz ZYZQRFXQLZWLOC-KGLIPLIRSA-N 0 3 236.359 3.095 20 0 BGADHN Cc1cc(CN2C[C@@H](C(C)C)[C@H]2C(C)C)on1 ZINC000639233409 355215467 /nfs/dbraw/zinc/21/54/67/355215467.db2.gz ZYZQRFXQLZWLOC-UONOGXRCSA-N 0 3 236.359 3.095 20 0 BGADHN Cc1cc(CN2C[C@H](C(C)C)[C@H]2C(C)C)on1 ZINC000639233410 355215639 /nfs/dbraw/zinc/21/56/39/355215639.db2.gz ZYZQRFXQLZWLOC-ZIAGYGMSSA-N 0 3 236.359 3.095 20 0 BGADHN CC(C)[C@@H]1C[C@H]1CNCc1nc2ccccc2o1 ZINC000639233420 355215526 /nfs/dbraw/zinc/21/55/26/355215526.db2.gz FQVZSBBZHKPPDI-RYUDHWBXSA-N 0 3 244.338 3.210 20 0 BGADHN CCC1(NCc2ncc(C)o2)CCCCC1 ZINC000639234126 355217367 /nfs/dbraw/zinc/21/73/67/355217367.db2.gz BIQOYTJRMPRECR-UHFFFAOYSA-N 0 3 222.332 3.186 20 0 BGADHN Cc1ncc([C@@H](C)NC2(C3(C)CC3)CC2)c(C)n1 ZINC000639234637 355218725 /nfs/dbraw/zinc/21/87/25/355218725.db2.gz BOAXXJCOGQDOTH-LLVKDONJSA-N 0 3 245.370 3.077 20 0 BGADHN Cc1ncc([C@H](C)NC2(C3(C)CC3)CC2)c(C)n1 ZINC000639234638 355218285 /nfs/dbraw/zinc/21/82/85/355218285.db2.gz BOAXXJCOGQDOTH-NSHDSACASA-N 0 3 245.370 3.077 20 0 BGADHN c1c(CNC23CCC(CC2)CC3)onc1C1CC1 ZINC000639237148 355219888 /nfs/dbraw/zinc/21/98/88/355219888.db2.gz YOFFTKYODGEVDT-UHFFFAOYSA-N 0 3 246.354 3.364 20 0 BGADHN CC[C@@H]1CC[C@H](C)N(Cc2ccns2)C1 ZINC000639239684 355223730 /nfs/dbraw/zinc/22/37/30/355223730.db2.gz LJHMRJLSRSCZQV-WDEREUQCSA-N 0 3 224.373 3.154 20 0 BGADHN Cc1cc(CN2CC3(CCCC3)[C@@H]2C(C)C)on1 ZINC000639242796 355229770 /nfs/dbraw/zinc/22/97/70/355229770.db2.gz AIQOOHCGZUKSIK-AWEZNQCLSA-N 0 3 248.370 3.384 20 0 BGADHN CC(C)(NCc1cc(C2CC2)no1)C1CCC1 ZINC000639242801 355229952 /nfs/dbraw/zinc/22/99/52/355229952.db2.gz CBLRFTXMMJWHAA-UHFFFAOYSA-N 0 3 234.343 3.220 20 0 BGADHN Cc1cc(CN2CC3(CCCC3)[C@H]2C(C)C)on1 ZINC000639242802 355229926 /nfs/dbraw/zinc/22/99/26/355229926.db2.gz AIQOOHCGZUKSIK-CQSZACIVSA-N 0 3 248.370 3.384 20 0 BGADHN c1cc(CNCC2(C3CCC3)CCC2)sn1 ZINC000639245049 355233730 /nfs/dbraw/zinc/23/37/30/355233730.db2.gz SOBUFJAZEQHCSN-UHFFFAOYSA-N 0 3 236.384 3.203 20 0 BGADHN C[C@@H](CC(C)(C)C)NCc1cc(C2CC2)no1 ZINC000639246088 355274653 /nfs/dbraw/zinc/27/46/53/355274653.db2.gz AFCBHQCREFKPAK-JTQLQIEISA-N 0 3 236.359 3.466 20 0 BGADHN C[C@H](CC(C)(C)C)NCc1cc(C2CC2)no1 ZINC000639246089 355275074 /nfs/dbraw/zinc/27/50/74/355275074.db2.gz AFCBHQCREFKPAK-SNVBAGLBSA-N 0 3 236.359 3.466 20 0 BGADHN Cn1ccnc1[C@H](NC(C)(C)C1CCC1)C1CC1 ZINC000639246150 355274346 /nfs/dbraw/zinc/27/43/46/355274346.db2.gz LQIDSOLUAFHHSK-CYBMUJFWSA-N 0 3 247.386 3.040 20 0 BGADHN Cn1ccnc1[C@@H](NC(C)(C)C1CCC1)C1CC1 ZINC000639246152 355274161 /nfs/dbraw/zinc/27/41/61/355274161.db2.gz LQIDSOLUAFHHSK-ZDUSSCGKSA-N 0 3 247.386 3.040 20 0 BGADHN c1c(CN[C@H](C2CC2)C2CCC2)onc1C1CC1 ZINC000639246805 355275948 /nfs/dbraw/zinc/27/59/48/355275948.db2.gz LDEVYYZPTKIEFV-HNNXBMFYSA-N 0 3 246.354 3.220 20 0 BGADHN c1c(CN[C@@H](C2CC2)C2CCC2)onc1C1CC1 ZINC000639246806 355275702 /nfs/dbraw/zinc/27/57/02/355275702.db2.gz LDEVYYZPTKIEFV-OAHLLOKOSA-N 0 3 246.354 3.220 20 0 BGADHN CCCc1ncc(CNC[C@@H]2CC[C@H]3C[C@H]3C2)o1 ZINC000639248617 355277185 /nfs/dbraw/zinc/27/71/85/355277185.db2.gz CPASUVSUVRKTFY-FRRDWIJNSA-N 0 3 248.370 3.153 20 0 BGADHN CCCc1ncc(CNC[C@@H]2CC[C@@H]3C[C@@H]3C2)o1 ZINC000639248619 355277157 /nfs/dbraw/zinc/27/71/57/355277157.db2.gz CPASUVSUVRKTFY-UPJWGTAASA-N 0 3 248.370 3.153 20 0 BGADHN CC(C)(NCc1nc2ccccc2o1)C1CCC1 ZINC000639249231 355277786 /nfs/dbraw/zinc/27/77/86/355277786.db2.gz YWKFHGNTPXANQW-UHFFFAOYSA-N 0 3 244.338 3.496 20 0 BGADHN CCCc1ncc(CNCC2(C(C)C)CC2)o1 ZINC000639252171 355286376 /nfs/dbraw/zinc/28/63/76/355286376.db2.gz NUAGOUTVPTVNGP-UHFFFAOYSA-N 0 3 236.359 3.153 20 0 BGADHN FC(F)(F)CC1CN(C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000639252587 355288758 /nfs/dbraw/zinc/28/87/58/355288758.db2.gz LSRCKKPCJDBIAQ-ADEWGFFLSA-N 0 3 247.304 3.307 20 0 BGADHN FC(F)(F)CC1CN(C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000639252588 355288806 /nfs/dbraw/zinc/28/88/06/355288806.db2.gz LSRCKKPCJDBIAQ-JLLWLGSASA-N 0 3 247.304 3.307 20 0 BGADHN CC(C)C1(CN2CC(CC(F)(F)F)C2)CC1 ZINC000639252620 355289461 /nfs/dbraw/zinc/28/94/61/355289461.db2.gz MYPIHOOWVPJVCO-UHFFFAOYSA-N 0 3 235.293 3.307 20 0 BGADHN Nc1c(F)cccc1CN1CC(C2CCCC2)C1 ZINC000639254434 355290241 /nfs/dbraw/zinc/29/02/41/355290241.db2.gz UFJVLNUNBHXZQS-UHFFFAOYSA-N 0 3 248.345 3.030 20 0 BGADHN Cc1ncc([C@@H](C)N2CC(C(C)(C)C)C2)c(C)n1 ZINC000639255973 355297203 /nfs/dbraw/zinc/29/72/03/355297203.db2.gz RCIKOSBETWPOQQ-LLVKDONJSA-N 0 3 247.386 3.132 20 0 BGADHN Cc1ncc([C@H](C)N2CC(C(C)(C)C)C2)c(C)n1 ZINC000639255974 355297182 /nfs/dbraw/zinc/29/71/82/355297182.db2.gz RCIKOSBETWPOQQ-NSHDSACASA-N 0 3 247.386 3.132 20 0 BGADHN CC1(CC(F)(F)F)CN(C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000639256192 355300550 /nfs/dbraw/zinc/30/05/50/355300550.db2.gz UMUFXQGWRAKFLD-JGPRNRPPSA-N 0 3 247.304 3.307 20 0 BGADHN Cc1ccc(CNCC2(C(C)C)CC2)nc1C ZINC000639256914 355302858 /nfs/dbraw/zinc/30/28/58/355302858.db2.gz NZNNHCAMFRHUHR-UHFFFAOYSA-N 0 3 232.371 3.224 20 0 BGADHN Cc1ncc(CNC2CCC(=C3CCC3)CC2)o1 ZINC000639258044 355305095 /nfs/dbraw/zinc/30/50/95/355305095.db2.gz YBAHLVMCTRMNOD-UHFFFAOYSA-N 0 3 246.354 3.496 20 0 BGADHN C[C@]1(NCc2nc3ccccc3o2)CC=CCC1 ZINC000639258172 355304902 /nfs/dbraw/zinc/30/49/02/355304902.db2.gz AUKBZOKJNKXIRY-HNNXBMFYSA-N 0 3 242.322 3.416 20 0 BGADHN C[C@@]1(NCc2nc3ccccc3o2)CC=CCC1 ZINC000639258173 355305071 /nfs/dbraw/zinc/30/50/71/355305071.db2.gz AUKBZOKJNKXIRY-OAHLLOKOSA-N 0 3 242.322 3.416 20 0 BGADHN Cc1scc(CN2C[C@@H]3C[C@H]2CS3)c1C ZINC000639258243 355305890 /nfs/dbraw/zinc/30/58/90/355305890.db2.gz CVSKPOZGDULGCA-RYUDHWBXSA-N 0 3 239.409 3.055 20 0 BGADHN C[C@]1(NCc2cc(C3CC3)no2)CC=CCC1 ZINC000639258612 355306565 /nfs/dbraw/zinc/30/65/65/355306565.db2.gz LFOQSHUDMUUUQM-AWEZNQCLSA-N 0 3 232.327 3.140 20 0 BGADHN C[C@@]1(NCc2cc(C3CC3)no2)CC=CCC1 ZINC000639258613 355306325 /nfs/dbraw/zinc/30/63/25/355306325.db2.gz LFOQSHUDMUUUQM-CQSZACIVSA-N 0 3 232.327 3.140 20 0 BGADHN Cc1ncc([C@@H](C)N(C)C2CC(C)(C)C2)c(C)n1 ZINC000639258840 355304939 /nfs/dbraw/zinc/30/49/39/355304939.db2.gz GNSWPQDLGQDMIV-LLVKDONJSA-N 0 3 247.386 3.275 20 0 BGADHN Cc1ncc([C@H](C)N(C)C2CC(C)(C)C2)c(C)n1 ZINC000639258841 355304860 /nfs/dbraw/zinc/30/48/60/355304860.db2.gz GNSWPQDLGQDMIV-NSHDSACASA-N 0 3 247.386 3.275 20 0 BGADHN Cc1cc(CN(C)C2CC(C)(C)C2)sn1 ZINC000639259089 355308519 /nfs/dbraw/zinc/30/85/19/355308519.db2.gz KNCXIAQFMKDILU-UHFFFAOYSA-N 0 3 224.373 3.072 20 0 BGADHN COc1cncc(CN(C)C2CC(C)(C)C2)c1C ZINC000639259741 398289532 /nfs/dbraw/zinc/28/95/32/398289532.db2.gz USUUCXDSQZYLCR-UHFFFAOYSA-N 0 3 248.370 3.019 20 0 BGADHN C[C@H]1CC(C)(C)CN1Cc1cccc(F)c1N ZINC000639265680 355325982 /nfs/dbraw/zinc/32/59/82/355325982.db2.gz GIJUSARZIVTPRE-JTQLQIEISA-N 0 3 236.334 3.028 20 0 BGADHN C[C@@H]1CC(C)(C)CN1Cc1cccc(F)c1N ZINC000639265682 355326117 /nfs/dbraw/zinc/32/61/17/355326117.db2.gz GIJUSARZIVTPRE-SNVBAGLBSA-N 0 3 236.334 3.028 20 0 BGADHN Cc1cnc(CN[C@H]2CCC[C@H]2C(C)(C)C)o1 ZINC000639265930 355323818 /nfs/dbraw/zinc/32/38/18/355323818.db2.gz MVJNNLNXVUMWQA-NEPJUHHUSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1cnc(CN[C@@H]2CCC[C@@H]2C(C)(C)C)o1 ZINC000639265932 355323872 /nfs/dbraw/zinc/32/38/72/355323872.db2.gz MVJNNLNXVUMWQA-NWDGAFQWSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1cnc(CN[C@H]2CCC[C@@H]2C(C)(C)C)o1 ZINC000639265935 355323991 /nfs/dbraw/zinc/32/39/91/355323991.db2.gz MVJNNLNXVUMWQA-RYUDHWBXSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1cnc(CN[C@@H]2CCC[C@H]2C(C)(C)C)o1 ZINC000639265937 355324012 /nfs/dbraw/zinc/32/40/12/355324012.db2.gz MVJNNLNXVUMWQA-VXGBXAGGSA-N 0 3 236.359 3.287 20 0 BGADHN CCN(Cc1ccns1)C1CC(C)(C)C1 ZINC000639266005 355324822 /nfs/dbraw/zinc/32/48/22/355324822.db2.gz NIAXHTKQFZHRLT-UHFFFAOYSA-N 0 3 224.373 3.154 20 0 BGADHN Cc1ncc([C@@H](C)N2CC(C)(C)C[C@@H]2C)c(C)n1 ZINC000639268420 355328753 /nfs/dbraw/zinc/32/87/53/355328753.db2.gz SNBHDLFELOHABA-CMPLNLGQSA-N 0 3 247.386 3.275 20 0 BGADHN Cc1ncc([C@H](C)N2CC(C)(C)C[C@@H]2C)c(C)n1 ZINC000639268425 355329004 /nfs/dbraw/zinc/32/90/04/355329004.db2.gz SNBHDLFELOHABA-JQWIXIFHSA-N 0 3 247.386 3.275 20 0 BGADHN Cc1ncc([C@H](C)N2CC(C)(C)C[C@H]2C)c(C)n1 ZINC000639268427 355328599 /nfs/dbraw/zinc/32/85/99/355328599.db2.gz SNBHDLFELOHABA-PWSUYJOCSA-N 0 3 247.386 3.275 20 0 BGADHN Cc1ncc([C@@H](C)N2CC(C)(C)C[C@H]2C)c(C)n1 ZINC000639268428 355328819 /nfs/dbraw/zinc/32/88/19/355328819.db2.gz SNBHDLFELOHABA-ZYHUDNBSSA-N 0 3 247.386 3.275 20 0 BGADHN Cc1cc(CN2CC(C)(C)C[C@@H]2C)sn1 ZINC000639268648 355334215 /nfs/dbraw/zinc/33/42/15/355334215.db2.gz WMGPNOQQYMKHBA-JTQLQIEISA-N 0 3 224.373 3.072 20 0 BGADHN Cc1cc(CN2CC(C)(C)C[C@H]2C)sn1 ZINC000639268649 355334016 /nfs/dbraw/zinc/33/40/16/355334016.db2.gz WMGPNOQQYMKHBA-SNVBAGLBSA-N 0 3 224.373 3.072 20 0 BGADHN c1c(CNC[C@@H]2C[C@H]2C2CCC2)onc1C1CC1 ZINC000639275214 355351236 /nfs/dbraw/zinc/35/12/36/355351236.db2.gz NGYOMPURSJWZHA-JSGCOSHPSA-N 0 3 246.354 3.078 20 0 BGADHN c1cc(CN2CC[C@@H](C3CCCC3)C2)sn1 ZINC000639275363 355351217 /nfs/dbraw/zinc/35/12/17/355351217.db2.gz URVVOURETOCRJS-GFCCVEGCSA-N 0 3 236.384 3.155 20 0 BGADHN c1cc(CN2CC[C@H](C3CCCC3)C2)sn1 ZINC000639275364 355351365 /nfs/dbraw/zinc/35/13/65/355351365.db2.gz URVVOURETOCRJS-LBPRGKRZSA-N 0 3 236.384 3.155 20 0 BGADHN Cc1cc(CN2CC[C@@H](C3CCC3)C2)sn1 ZINC000639275710 355352603 /nfs/dbraw/zinc/35/26/03/355352603.db2.gz WGOKFVIZRSHFRW-GFCCVEGCSA-N 0 3 236.384 3.074 20 0 BGADHN Cc1cc(CN2CC[C@H](C3CCC3)C2)sn1 ZINC000639275711 355352714 /nfs/dbraw/zinc/35/27/14/355352714.db2.gz WGOKFVIZRSHFRW-LBPRGKRZSA-N 0 3 236.384 3.074 20 0 BGADHN CC(C)C[C@@H]1C[C@H]1NCc1cc(C2CC2)no1 ZINC000639277961 355360182 /nfs/dbraw/zinc/36/01/82/355360182.db2.gz SVUNLLIMEVQPTO-DGCLKSJQSA-N 0 3 234.343 3.076 20 0 BGADHN Cc1cc(CN2CC[C@@H](C)C[C@H]2C)sn1 ZINC000639278426 355363452 /nfs/dbraw/zinc/36/34/52/355363452.db2.gz KIGXCUUYTOAHBM-MWLCHTKSSA-N 0 3 224.373 3.072 20 0 BGADHN Cc1ncc([C@@H](C)N2CC[C@@H](C)C[C@H]2C)c(C)n1 ZINC000639278749 355363252 /nfs/dbraw/zinc/36/32/52/355363252.db2.gz SDUFXKFWMJNVKS-NQBHXWOUSA-N 0 3 247.386 3.275 20 0 BGADHN Cc1ncc([C@H](C)N2CC[C@@H](C)C[C@H]2C)c(C)n1 ZINC000639278750 355363038 /nfs/dbraw/zinc/36/30/38/355363038.db2.gz SDUFXKFWMJNVKS-WZRBSPASSA-N 0 3 247.386 3.275 20 0 BGADHN Cc1ccc(CCN2CC(CC(F)F)C2)cc1 ZINC000639278866 355364153 /nfs/dbraw/zinc/36/41/53/355364153.db2.gz UHVTURUASBDGLI-UHFFFAOYSA-N 0 3 239.309 3.125 20 0 BGADHN Cc1scc(CN2CC(CC(F)F)C2)c1C ZINC000639278941 355364482 /nfs/dbraw/zinc/36/44/82/355364482.db2.gz WYUXXPOCFCHRBZ-UHFFFAOYSA-N 0 3 245.338 3.452 20 0 BGADHN Cc1cnc(CN[C@H](C2CCC2)C2CCCC2)o1 ZINC000639281998 488126097 /nfs/dbraw/zinc/12/60/97/488126097.db2.gz ACTLKRDBZGCNRP-HNNXBMFYSA-N 0 3 248.370 3.432 20 0 BGADHN Cc1cnc(CN[C@@H](C2CCC2)C2CCCC2)o1 ZINC000639281999 488125935 /nfs/dbraw/zinc/12/59/35/488125935.db2.gz ACTLKRDBZGCNRP-OAHLLOKOSA-N 0 3 248.370 3.432 20 0 BGADHN CC(C)C1(CN2CC(C)(CC(F)F)C2)CC1 ZINC000639282119 355377492 /nfs/dbraw/zinc/37/74/92/355377492.db2.gz BGDLYCVCQUBFLZ-UHFFFAOYSA-N 0 3 231.330 3.400 20 0 BGADHN CN(CCC(C)(C)C)[C@@H](c1nccn1C)C1CC1 ZINC000639282576 355376868 /nfs/dbraw/zinc/37/68/68/355376868.db2.gz DKPWSBMFSGLAJM-CYBMUJFWSA-N 0 3 249.402 3.239 20 0 BGADHN CN(CCC(C)(C)C)[C@H](c1nccn1C)C1CC1 ZINC000639282582 355376783 /nfs/dbraw/zinc/37/67/83/355376783.db2.gz DKPWSBMFSGLAJM-ZDUSSCGKSA-N 0 3 249.402 3.239 20 0 BGADHN CC[C@@H](C)[C@@H](CN1CC(C)(CC(F)F)C1)OC ZINC000639283718 355381793 /nfs/dbraw/zinc/38/17/93/355381793.db2.gz MZGIIZDREXZEAW-GHMZBOCLSA-N 0 3 249.345 3.025 20 0 BGADHN CC[C@@H](C)[C@H](CN1CC(C)(CC(F)F)C1)OC ZINC000639283721 355381557 /nfs/dbraw/zinc/38/15/57/355381557.db2.gz MZGIIZDREXZEAW-MNOVXSKESA-N 0 3 249.345 3.025 20 0 BGADHN CC[C@H](C)[C@H](CN1CC(C)(CC(F)F)C1)OC ZINC000639283723 355381587 /nfs/dbraw/zinc/38/15/87/355381587.db2.gz MZGIIZDREXZEAW-QWRGUYRKSA-N 0 3 249.345 3.025 20 0 BGADHN CC[C@H](C)[C@@H](CN1CC(C)(CC(F)F)C1)OC ZINC000639283725 355381575 /nfs/dbraw/zinc/38/15/75/355381575.db2.gz MZGIIZDREXZEAW-WDEREUQCSA-N 0 3 249.345 3.025 20 0 BGADHN CC1(CC(F)F)CN(C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000639283733 355381707 /nfs/dbraw/zinc/38/17/07/355381707.db2.gz NAYUUGMQFMJERH-JGPRNRPPSA-N 0 3 229.314 3.010 20 0 BGADHN CO[C@H](CC(C)C)CN1CC(C)(CC(F)F)C1 ZINC000639284294 355382385 /nfs/dbraw/zinc/38/23/85/355382385.db2.gz RKHDRPVVZSVKRR-LLVKDONJSA-N 0 3 249.345 3.025 20 0 BGADHN CO[C@@H](CC(C)C)CN1CC(C)(CC(F)F)C1 ZINC000639284295 355382256 /nfs/dbraw/zinc/38/22/56/355382256.db2.gz RKHDRPVVZSVKRR-NSHDSACASA-N 0 3 249.345 3.025 20 0 BGADHN CC1(CC(F)F)CN(CC2CCSCC2)C1 ZINC000639284305 355382311 /nfs/dbraw/zinc/38/23/11/355382311.db2.gz ROKXOGFVPBOVIT-UHFFFAOYSA-N 0 3 249.370 3.107 20 0 BGADHN c1ccc2oc(CN[C@@H]3CC[C@@H]4C[C@@H]4C3)nc2c1 ZINC000639287439 355394964 /nfs/dbraw/zinc/39/49/64/355394964.db2.gz LCGCVTAOJUQVJH-IJLUTSLNSA-N 0 3 242.322 3.106 20 0 BGADHN c1ccc2oc(CN[C@@H]3CC[C@H]4C[C@H]4C3)nc2c1 ZINC000639287441 355395046 /nfs/dbraw/zinc/39/50/46/355395046.db2.gz LCGCVTAOJUQVJH-SDDRHHMPSA-N 0 3 242.322 3.106 20 0 BGADHN Cc1ncc([C@@H](C)N2CCC23CCCC3)c(C)n1 ZINC000639288730 355402227 /nfs/dbraw/zinc/40/22/27/355402227.db2.gz KNWWYYMJJRIKGK-GFCCVEGCSA-N 0 3 245.370 3.173 20 0 BGADHN Cc1ncc([C@H](C)N2CCC23CCCC3)c(C)n1 ZINC000639288735 355402201 /nfs/dbraw/zinc/40/22/01/355402201.db2.gz KNWWYYMJJRIKGK-LBPRGKRZSA-N 0 3 245.370 3.173 20 0 BGADHN CC(C)(C)C[C@@H]1C[C@H]1NCc1ccns1 ZINC000639289800 355424945 /nfs/dbraw/zinc/42/49/45/355424945.db2.gz CQGOBHUOHSFYIG-GXSJLCMTSA-N 0 3 224.373 3.057 20 0 BGADHN c1cc(CN2CCCC[C@@H]2C2CCC2)sn1 ZINC000639290181 355450225 /nfs/dbraw/zinc/45/02/25/355450225.db2.gz QLVUUMKHICFVNF-CYBMUJFWSA-N 0 3 236.384 3.298 20 0 BGADHN c1cc(CN2CCCC[C@H]2C2CCC2)sn1 ZINC000639290188 355450251 /nfs/dbraw/zinc/45/02/51/355450251.db2.gz QLVUUMKHICFVNF-ZDUSSCGKSA-N 0 3 236.384 3.298 20 0 BGADHN CC(C)(C)C[C@@H]1C[C@H]1NCc1cc(C2CC2)no1 ZINC000639290576 355434019 /nfs/dbraw/zinc/43/40/19/355434019.db2.gz JFXSBRDMPWHXJV-WCQYABFASA-N 0 3 248.370 3.466 20 0 BGADHN CC1(NCc2nc3ccccc3o2)CC=CC1 ZINC000639294572 355576577 /nfs/dbraw/zinc/57/65/77/355576577.db2.gz GFLMFZXYUJGHPA-UHFFFAOYSA-N 0 3 228.295 3.026 20 0 BGADHN c1cc(CNC[C@H]2C[C@@H]2c2ccccc2)sn1 ZINC000639300193 355623027 /nfs/dbraw/zinc/62/30/27/355623027.db2.gz YMGLQHYZSYPRIP-TZMCWYRMSA-N 0 3 244.363 3.036 20 0 BGADHN Cc1ncc([C@H](C)N2C[C@@H]3CCCC[C@@H]32)c(C)n1 ZINC000639302870 355650038 /nfs/dbraw/zinc/65/00/38/355650038.db2.gz OYBQSSCMFROTPA-WHOFXGATSA-N 0 3 245.370 3.029 20 0 BGADHN Cc1ncc([C@@H](C)N2C[C@@H]3CCCC[C@@H]32)c(C)n1 ZINC000639302871 355650198 /nfs/dbraw/zinc/65/01/98/355650198.db2.gz OYBQSSCMFROTPA-ZLDLUXBVSA-N 0 3 245.370 3.029 20 0 BGADHN CCC(C)(C)[C@@H](C)NCc1cnc(OC)s1 ZINC000639306259 355660877 /nfs/dbraw/zinc/66/08/77/355660877.db2.gz AJLOHVKVWQFGEA-SECBINFHSA-N 0 3 242.388 3.066 20 0 BGADHN CCC(C)(C)[C@H](C)NCc1cnc(OC)s1 ZINC000639306260 355660813 /nfs/dbraw/zinc/66/08/13/355660813.db2.gz AJLOHVKVWQFGEA-VIFPVBQESA-N 0 3 242.388 3.066 20 0 BGADHN CCC(C)(C)[C@H](C)N[C@H](c1nccn1C)C1CC1 ZINC000639306691 355661530 /nfs/dbraw/zinc/66/15/30/355661530.db2.gz GYRBPXDAYYVBMZ-AAEUAGOBSA-N 0 3 249.402 3.286 20 0 BGADHN CCC(C)(C)[C@@H](C)N[C@@H](c1nccn1C)C1CC1 ZINC000639306692 355661622 /nfs/dbraw/zinc/66/16/22/355661622.db2.gz GYRBPXDAYYVBMZ-DGCLKSJQSA-N 0 3 249.402 3.286 20 0 BGADHN CCC(C)(C)[C@H](C)N[C@@H](c1nccn1C)C1CC1 ZINC000639306693 355661477 /nfs/dbraw/zinc/66/14/77/355661477.db2.gz GYRBPXDAYYVBMZ-WCQYABFASA-N 0 3 249.402 3.286 20 0 BGADHN CCC(C)(C)[C@@H](C)N[C@H](c1nccn1C)C1CC1 ZINC000639306694 355661470 /nfs/dbraw/zinc/66/14/70/355661470.db2.gz GYRBPXDAYYVBMZ-YPMHNXCESA-N 0 3 249.402 3.286 20 0 BGADHN CC[C@H](C)CCNCc1cc(C2CC2)no1 ZINC000639308038 355662892 /nfs/dbraw/zinc/66/28/92/355662892.db2.gz KIOBRZWUCAGDDH-JTQLQIEISA-N 0 3 222.332 3.078 20 0 BGADHN CC[C@@H](C)CCNCc1cc(C2CC2)no1 ZINC000639308039 355663281 /nfs/dbraw/zinc/66/32/81/355663281.db2.gz KIOBRZWUCAGDDH-SNVBAGLBSA-N 0 3 222.332 3.078 20 0 BGADHN CCCN(Cc1cc(C)ns1)C(C)C ZINC000639308158 355663820 /nfs/dbraw/zinc/66/38/20/355663820.db2.gz CMBNCFWVPIGKHQ-UHFFFAOYSA-N 0 3 212.362 3.072 20 0 BGADHN CC[C@@H](C)CCNCc1nc2ccccc2o1 ZINC000639308318 355663906 /nfs/dbraw/zinc/66/39/06/355663906.db2.gz MHSCXNPNVFHNNG-LLVKDONJSA-N 0 3 232.327 3.354 20 0 BGADHN CC[C@H](C)CCNCc1nc2ccccc2o1 ZINC000639308319 355663605 /nfs/dbraw/zinc/66/36/05/355663605.db2.gz MHSCXNPNVFHNNG-NSHDSACASA-N 0 3 232.327 3.354 20 0 BGADHN CCCN(Cc1cncc(OC)c1C)C(C)C ZINC000639309842 355665234 /nfs/dbraw/zinc/66/52/34/355665234.db2.gz FVIRSHZYPAEHMN-UHFFFAOYSA-N 0 3 236.359 3.019 20 0 BGADHN Cc1ccc(CCNCc2ccns2)cc1C ZINC000639309902 355666627 /nfs/dbraw/zinc/66/66/27/355666627.db2.gz OIBMCJBEONPHDF-UHFFFAOYSA-N 0 3 246.379 3.092 20 0 BGADHN CC[C@@](C)(N[C@H](c1nccn1C)C1CC1)C1CC1 ZINC000639314939 355705460 /nfs/dbraw/zinc/70/54/60/355705460.db2.gz BADPQONPBAGIFD-DZGCQCFKSA-N 0 3 247.386 3.040 20 0 BGADHN CC[C@](C)(N[C@@H](c1nccn1C)C1CC1)C1CC1 ZINC000639314940 355705388 /nfs/dbraw/zinc/70/53/88/355705388.db2.gz BADPQONPBAGIFD-HIFRSBDPSA-N 0 3 247.386 3.040 20 0 BGADHN CC[C@@](C)(N[C@@H](c1nccn1C)C1CC1)C1CC1 ZINC000639314941 355705551 /nfs/dbraw/zinc/70/55/51/355705551.db2.gz BADPQONPBAGIFD-UKRRQHHQSA-N 0 3 247.386 3.040 20 0 BGADHN CC[C@](C)(N[C@H](c1nccn1C)C1CC1)C1CC1 ZINC000639314942 355705755 /nfs/dbraw/zinc/70/57/55/355705755.db2.gz BADPQONPBAGIFD-ZFWWWQNUSA-N 0 3 247.386 3.040 20 0 BGADHN c1c(CNCCCC2CCC2)onc1C1CC1 ZINC000639315231 355706356 /nfs/dbraw/zinc/70/63/56/355706356.db2.gz IMQWCAGPOULMAG-UHFFFAOYSA-N 0 3 234.343 3.222 20 0 BGADHN COc1cccc(C)c1CNCCC(C)(C)F ZINC000639315372 355706901 /nfs/dbraw/zinc/70/69/01/355706901.db2.gz CCOMTQJFUPKHJS-UHFFFAOYSA-N 0 3 239.334 3.231 20 0 BGADHN c1ccc2oc(CNCCCC3CCC3)nc2c1 ZINC000639316132 355708442 /nfs/dbraw/zinc/70/84/42/355708442.db2.gz MPFSHALFKREBND-UHFFFAOYSA-N 0 3 244.338 3.498 20 0 BGADHN CC[C@](C)(NCc1nc2ccccc2o1)C1CC1 ZINC000639317325 355711295 /nfs/dbraw/zinc/71/12/95/355711295.db2.gz MINFIQCWJYVLGJ-HNNXBMFYSA-N 0 3 244.338 3.496 20 0 BGADHN CC[C@@](C)(NCc1nc2ccccc2o1)C1CC1 ZINC000639317326 355711146 /nfs/dbraw/zinc/71/11/46/355711146.db2.gz MINFIQCWJYVLGJ-OAHLLOKOSA-N 0 3 244.338 3.496 20 0 BGADHN Cc1cc(CNCCCC2CCC2)sn1 ZINC000639317778 355713045 /nfs/dbraw/zinc/71/30/45/355713045.db2.gz VMUCXIDEWOLVFN-UHFFFAOYSA-N 0 3 224.373 3.121 20 0 BGADHN c1c(CNC[C@@H]2CCC[C@@H]3C[C@@H]32)onc1C1CC1 ZINC000639319033 355712935 /nfs/dbraw/zinc/71/29/35/355712935.db2.gz VAPHEFSFQCWKNI-DYEKYZERSA-N 0 3 246.354 3.078 20 0 BGADHN c1c(CNC[C@@H]2CCC[C@H]3C[C@H]32)onc1C1CC1 ZINC000639319040 355713270 /nfs/dbraw/zinc/71/32/70/355713270.db2.gz VAPHEFSFQCWKNI-SGMGOOAPSA-N 0 3 246.354 3.078 20 0 BGADHN CC[C@](C)(NCc1cc(C2CC2)no1)C1CC1 ZINC000639319572 355719908 /nfs/dbraw/zinc/71/99/08/355719908.db2.gz YXNJNGBQMYSFQU-AWEZNQCLSA-N 0 3 234.343 3.220 20 0 BGADHN CC[C@@](C)(NCc1cc(C2CC2)no1)C1CC1 ZINC000639319573 355719750 /nfs/dbraw/zinc/71/97/50/355719750.db2.gz YXNJNGBQMYSFQU-CQSZACIVSA-N 0 3 234.343 3.220 20 0 BGADHN Cc1cc(CN2CCC[C@H](CCF)C2)sn1 ZINC000639321307 355722055 /nfs/dbraw/zinc/72/20/55/355722055.db2.gz NXIFVQIUXKEFOC-LLVKDONJSA-N 0 3 242.363 3.023 20 0 BGADHN Cc1cc(CN2CCC[C@@H](CCF)C2)sn1 ZINC000639321308 355722173 /nfs/dbraw/zinc/72/21/73/355722173.db2.gz NXIFVQIUXKEFOC-NSHDSACASA-N 0 3 242.363 3.023 20 0 BGADHN c1cc(CN[C@@H]2CC[C@@H]2c2ccccc2)sn1 ZINC000639322148 355723820 /nfs/dbraw/zinc/72/38/20/355723820.db2.gz YTBUUPFCEGWXNP-ZIAGYGMSSA-N 0 3 244.363 3.179 20 0 BGADHN c1cc(CN(CCC2CC2)CC2CC2)sn1 ZINC000639325791 355725269 /nfs/dbraw/zinc/72/52/69/355725269.db2.gz BYNRVAZKIJIBCF-UHFFFAOYSA-N 0 3 236.384 3.155 20 0 BGADHN Cn1c(CN2CC[C@H]3C[C@H]3C2)cc2ccccc21 ZINC000639326501 355731578 /nfs/dbraw/zinc/73/15/78/355731578.db2.gz YDCMDCPVIFBYTF-JSGCOSHPSA-N 0 3 240.350 3.020 20 0 BGADHN Cn1c(CN2CC[C@@H]3C[C@@H]3C2)cc2ccccc21 ZINC000639326503 355731444 /nfs/dbraw/zinc/73/14/44/355731444.db2.gz YDCMDCPVIFBYTF-TZMCWYRMSA-N 0 3 240.350 3.020 20 0 BGADHN CC(C)[C@H](NCc1cc(C2CC2)no1)C1CC1 ZINC000639327260 355729937 /nfs/dbraw/zinc/72/99/37/355729937.db2.gz IBPYCQHQJQJICZ-AWEZNQCLSA-N 0 3 234.343 3.076 20 0 BGADHN CC(C)[C@@H](NCc1cc(C2CC2)no1)C1CC1 ZINC000639327261 355729598 /nfs/dbraw/zinc/72/95/98/355729598.db2.gz IBPYCQHQJQJICZ-CQSZACIVSA-N 0 3 234.343 3.076 20 0 BGADHN CC(NCc1cc(C2CC2)no1)(C1CC1)C1CC1 ZINC000639328505 355735462 /nfs/dbraw/zinc/73/54/62/355735462.db2.gz SAFIRHQMGGVSGE-UHFFFAOYSA-N 0 3 246.354 3.220 20 0 BGADHN CC(C)[C@H](NCc1nc2ccccc2o1)C1CC1 ZINC000639329277 355745345 /nfs/dbraw/zinc/74/53/45/355745345.db2.gz XDDIXTBOLAFURI-HNNXBMFYSA-N 0 3 244.338 3.352 20 0 BGADHN CC(C)[C@@H](NCc1nc2ccccc2o1)C1CC1 ZINC000639329281 355745614 /nfs/dbraw/zinc/74/56/14/355745614.db2.gz XDDIXTBOLAFURI-OAHLLOKOSA-N 0 3 244.338 3.352 20 0 BGADHN c1cc(CN2CCC[C@@H](C3CCC3)C2)sn1 ZINC000639329855 355745981 /nfs/dbraw/zinc/74/59/81/355745981.db2.gz PHMQFBBQIBKVIF-GFCCVEGCSA-N 0 3 236.384 3.155 20 0 BGADHN c1cc(CN2CCC[C@H](C3CCC3)C2)sn1 ZINC000639329856 355746366 /nfs/dbraw/zinc/74/63/66/355746366.db2.gz PHMQFBBQIBKVIF-LBPRGKRZSA-N 0 3 236.384 3.155 20 0 BGADHN Cc1cc(CNC2(CC(C)C)CC2)sn1 ZINC000639334336 355765270 /nfs/dbraw/zinc/76/52/70/355765270.db2.gz FOTQSWOLMLNUNQ-UHFFFAOYSA-N 0 3 224.373 3.120 20 0 BGADHN CC(C)CC1(NCc2cccc(F)c2N)CC1 ZINC000639336181 355769841 /nfs/dbraw/zinc/76/98/41/355769841.db2.gz VCISUBRYCXOWSX-UHFFFAOYSA-N 0 3 236.334 3.076 20 0 BGADHN CC(C)CC1(N[C@@H](c2nccn2C)C2CC2)CC1 ZINC000639336544 355771485 /nfs/dbraw/zinc/77/14/85/355771485.db2.gz WXGLZOLDVAATNL-CYBMUJFWSA-N 0 3 247.386 3.040 20 0 BGADHN CC(C)CC1(N[C@H](c2nccn2C)C2CC2)CC1 ZINC000639336546 355771893 /nfs/dbraw/zinc/77/18/93/355771893.db2.gz WXGLZOLDVAATNL-ZDUSSCGKSA-N 0 3 247.386 3.040 20 0 BGADHN Cc1ncc([C@H](C)N(C)C[C@@H]2CC2(C)C)c(C)n1 ZINC000639337064 355774855 /nfs/dbraw/zinc/77/48/55/355774855.db2.gz JNGAOBXALMXMCI-AAEUAGOBSA-N 0 3 247.386 3.132 20 0 BGADHN Cc1ncc([C@@H](C)N(C)C[C@H]2CC2(C)C)c(C)n1 ZINC000639337065 355774582 /nfs/dbraw/zinc/77/45/82/355774582.db2.gz JNGAOBXALMXMCI-DGCLKSJQSA-N 0 3 247.386 3.132 20 0 BGADHN Cc1ncc([C@H](C)N(C)C[C@H]2CC2(C)C)c(C)n1 ZINC000639337067 355774708 /nfs/dbraw/zinc/77/47/08/355774708.db2.gz JNGAOBXALMXMCI-WCQYABFASA-N 0 3 247.386 3.132 20 0 BGADHN Cc1ncc([C@@H](C)N(C)C[C@@H]2CC2(C)C)c(C)n1 ZINC000639337068 355774938 /nfs/dbraw/zinc/77/49/38/355774938.db2.gz JNGAOBXALMXMCI-YPMHNXCESA-N 0 3 247.386 3.132 20 0 BGADHN c1c(CNC[C@@H]2CC[C@H]3C[C@H]3C2)onc1C1CC1 ZINC000639344461 355788489 /nfs/dbraw/zinc/78/84/89/355788489.db2.gz ZYFVMOZCUNXCSX-KGYLQXTDSA-N 0 3 246.354 3.078 20 0 BGADHN c1c(CNC[C@@H]2CC[C@@H]3C[C@@H]3C2)onc1C1CC1 ZINC000639344463 355788631 /nfs/dbraw/zinc/78/86/31/355788631.db2.gz ZYFVMOZCUNXCSX-RTXFEEFZSA-N 0 3 246.354 3.078 20 0 BGADHN Cc1cnc(CNCC(C2CCC2)C2CCC2)o1 ZINC000639346039 355792454 /nfs/dbraw/zinc/79/24/54/355792454.db2.gz ORZZHKVHBDAXOG-UHFFFAOYSA-N 0 3 248.370 3.289 20 0 BGADHN CCC(NCc1ncc(C)o1)(C1CC1)C1CC1 ZINC000639350430 355798178 /nfs/dbraw/zinc/79/81/78/355798178.db2.gz XRQROSNSAMKUFW-UHFFFAOYSA-N 0 3 234.343 3.041 20 0 BGADHN Cc1cc(CNCC[C@@H]2CC=CCC2)sn1 ZINC000639350816 355799184 /nfs/dbraw/zinc/79/91/84/355799184.db2.gz QMLLCZBTEUHZPK-GFCCVEGCSA-N 0 3 236.384 3.288 20 0 BGADHN Cc1cc(CNCC[C@H]2CC=CCC2)sn1 ZINC000639350817 355798703 /nfs/dbraw/zinc/79/87/03/355798703.db2.gz QMLLCZBTEUHZPK-LBPRGKRZSA-N 0 3 236.384 3.288 20 0 BGADHN c1c(CNCC[C@@H]2CC=CCC2)onc1C1CC1 ZINC000639350963 355798875 /nfs/dbraw/zinc/79/88/75/355798875.db2.gz VNNRKUPVTXCSFK-GFCCVEGCSA-N 0 3 246.354 3.388 20 0 BGADHN c1c(CNCC[C@H]2CC=CCC2)onc1C1CC1 ZINC000639350964 355798928 /nfs/dbraw/zinc/79/89/28/355798928.db2.gz VNNRKUPVTXCSFK-LBPRGKRZSA-N 0 3 246.354 3.388 20 0 BGADHN C[C@]1(CNCc2cc(C3CC3)no2)C[C@H]2C[C@H]2C1 ZINC000639352943 355801725 /nfs/dbraw/zinc/80/17/25/355801725.db2.gz MTKFDIZCPIJGOI-JYAVWHMHSA-N 0 3 246.354 3.078 20 0 BGADHN C/C=C\CNCc1cc(Cl)cc(Cl)c1N ZINC000639352959 355802614 /nfs/dbraw/zinc/80/26/14/355802614.db2.gz NEFQCZAPDZCJQN-IHWYPQMZSA-N 0 3 245.153 3.241 20 0 BGADHN C/C=C/CNCc1cc(Cl)cc(Cl)c1N ZINC000639352960 355802483 /nfs/dbraw/zinc/80/24/83/355802483.db2.gz NEFQCZAPDZCJQN-NSCUHMNNSA-N 0 3 245.153 3.241 20 0 BGADHN C/C=C\CNC[C@@H](OC(C)C)c1ccccc1 ZINC000639353111 355802653 /nfs/dbraw/zinc/80/26/53/355802653.db2.gz OPEKBWDPOKSQIC-FOSCPCJNSA-N 0 3 233.355 3.318 20 0 BGADHN C/C=C/CNC[C@@H](OC(C)C)c1ccccc1 ZINC000639353112 355802402 /nfs/dbraw/zinc/80/24/02/355802402.db2.gz OPEKBWDPOKSQIC-MBVDDHJVSA-N 0 3 233.355 3.318 20 0 BGADHN C/C=C/CNC[C@H](OC(C)C)c1ccccc1 ZINC000639353113 355802321 /nfs/dbraw/zinc/80/23/21/355802321.db2.gz OPEKBWDPOKSQIC-RGDDUWESSA-N 0 3 233.355 3.318 20 0 BGADHN C/C=C\CNC[C@H](OC(C)C)c1ccccc1 ZINC000639353114 355802798 /nfs/dbraw/zinc/80/27/98/355802798.db2.gz OPEKBWDPOKSQIC-XVWMLYKFSA-N 0 3 233.355 3.318 20 0 BGADHN Cc1cc(CN2CCCC3(CC3)CC2)sn1 ZINC000639355977 355809850 /nfs/dbraw/zinc/80/98/50/355809850.db2.gz DKPQBFLFJWMSRZ-UHFFFAOYSA-N 0 3 236.384 3.218 20 0 BGADHN c1c(CNC[C@H]2CCCC23CC3)onc1C1CC1 ZINC000639356934 355811213 /nfs/dbraw/zinc/81/12/13/355811213.db2.gz QFPNMXCDYILHBR-GFCCVEGCSA-N 0 3 246.354 3.222 20 0 BGADHN c1c(CNC[C@@H]2CCCC23CC3)onc1C1CC1 ZINC000639356936 355811189 /nfs/dbraw/zinc/81/11/89/355811189.db2.gz QFPNMXCDYILHBR-LBPRGKRZSA-N 0 3 246.354 3.222 20 0 BGADHN CC(C)(F)CNCC(C)(C)Oc1ccccc1 ZINC000639357892 355812134 /nfs/dbraw/zinc/81/21/34/355812134.db2.gz BUMRQIUIJUVLGI-UHFFFAOYSA-N 0 3 239.334 3.182 20 0 BGADHN C[C@H](CNCC(C)(C)F)c1cc(F)cc(F)c1 ZINC000639357939 355811793 /nfs/dbraw/zinc/81/17/93/355811793.db2.gz CMXCWVHHSZIQQW-SECBINFHSA-N 0 3 245.288 3.406 20 0 BGADHN C[C@@H](CNCC(C)(C)F)c1cc(F)cc(F)c1 ZINC000639357948 355812151 /nfs/dbraw/zinc/81/21/51/355812151.db2.gz CMXCWVHHSZIQQW-VIFPVBQESA-N 0 3 245.288 3.406 20 0 BGADHN Cn1c(CNCC(C)(C)F)cc2ccccc21 ZINC000639358090 355812233 /nfs/dbraw/zinc/81/22/33/355812233.db2.gz FZRNBRKLFRJTFC-UHFFFAOYSA-N 0 3 234.318 3.016 20 0 BGADHN CC(C)(F)CN[C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000639358573 355812821 /nfs/dbraw/zinc/81/28/21/355812821.db2.gz MQKSTAHTSYGTTD-NXEZZACHSA-N 0 3 233.396 3.244 20 0 BGADHN CC(C)(F)CN[C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000639358574 355812798 /nfs/dbraw/zinc/81/27/98/355812798.db2.gz MQKSTAHTSYGTTD-UWVGGRQHSA-N 0 3 233.396 3.244 20 0 BGADHN CC(C)(F)CN[C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000639358575 355812609 /nfs/dbraw/zinc/81/26/09/355812609.db2.gz MQKSTAHTSYGTTD-VHSXEESVSA-N 0 3 233.396 3.244 20 0 BGADHN CC(C)(F)CN[C@H]1CS[C@H](C(C)(C)C)C1 ZINC000639358576 355812671 /nfs/dbraw/zinc/81/26/71/355812671.db2.gz MQKSTAHTSYGTTD-ZJUUUORDSA-N 0 3 233.396 3.244 20 0 BGADHN CCn1nc(C)c(CN(C)CC2(C)CCC2)c1C ZINC000639360970 355820728 /nfs/dbraw/zinc/82/07/28/355820728.db2.gz RKVRZCNIOOWSOT-UHFFFAOYSA-N 0 3 249.402 3.142 20 0 BGADHN c1ccc2oc(CN[C@@H]3CCCC34CC4)nc2c1 ZINC000639361180 355814722 /nfs/dbraw/zinc/81/47/22/355814722.db2.gz TYRGUOHFEHQKNN-CYBMUJFWSA-N 0 3 242.322 3.250 20 0 BGADHN c1ccc2oc(CN[C@H]3CCCC34CC4)nc2c1 ZINC000639361181 355814901 /nfs/dbraw/zinc/81/49/01/355814901.db2.gz TYRGUOHFEHQKNN-ZDUSSCGKSA-N 0 3 242.322 3.250 20 0 BGADHN Cc1occc1CN1CC(c2ccccc2)C1 ZINC000639361471 355815428 /nfs/dbraw/zinc/81/54/28/355815428.db2.gz CQWSVKARTXESPD-UHFFFAOYSA-N 0 3 227.307 3.187 20 0 BGADHN c1csc(CN2CC(c3ccccc3)C2)c1 ZINC000639361673 355816168 /nfs/dbraw/zinc/81/61/68/355816168.db2.gz NAVSZXSPLQLLIJ-UHFFFAOYSA-N 0 3 229.348 3.348 20 0 BGADHN c1cc(CN2CC(c3ccccc3)C2)cs1 ZINC000639361846 355816408 /nfs/dbraw/zinc/81/64/08/355816408.db2.gz UXAYVNWWYBSDAM-UHFFFAOYSA-N 0 3 229.348 3.348 20 0 BGADHN Cc1ccoc1CN1CC(c2ccccc2)C1 ZINC000639361889 355816244 /nfs/dbraw/zinc/81/62/44/355816244.db2.gz XDMIGTUZQULPNQ-UHFFFAOYSA-N 0 3 227.307 3.187 20 0 BGADHN C[C@@H](CNCc1ncc[nH]1)CC1CCCCC1 ZINC000639370561 355863280 /nfs/dbraw/zinc/86/32/80/355863280.db2.gz FBWINFURMGOCAV-GFCCVEGCSA-N 0 3 235.375 3.106 20 0 BGADHN C[C@H](CNCc1ncc[nH]1)CC1CCCCC1 ZINC000639370569 355861743 /nfs/dbraw/zinc/86/17/43/355861743.db2.gz FBWINFURMGOCAV-LBPRGKRZSA-N 0 3 235.375 3.106 20 0 BGADHN CCC[C@@H](CNCc1ncc[nH]1)c1ccccc1 ZINC000639370622 355864317 /nfs/dbraw/zinc/86/43/17/355864317.db2.gz FKGIBMLXUSFNEC-AWEZNQCLSA-N 0 3 243.354 3.083 20 0 BGADHN CCC[C@H](CNCc1ncc[nH]1)c1ccccc1 ZINC000639370628 355864021 /nfs/dbraw/zinc/86/40/21/355864021.db2.gz FKGIBMLXUSFNEC-CQSZACIVSA-N 0 3 243.354 3.083 20 0 BGADHN CC(C)CC[C@@H]1CC[C@@H](NCc2ncc[nH]2)C1 ZINC000639370674 355863319 /nfs/dbraw/zinc/86/33/19/355863319.db2.gz FTGIXBVELCUFBW-CHWSQXEVSA-N 0 3 235.375 3.104 20 0 BGADHN CC(C)CC[C@@H]1CC[C@H](NCc2ncc[nH]2)C1 ZINC000639370675 355863460 /nfs/dbraw/zinc/86/34/60/355863460.db2.gz FTGIXBVELCUFBW-OLZOCXBDSA-N 0 3 235.375 3.104 20 0 BGADHN CC(C)CC[C@H]1CC[C@@H](NCc2ncc[nH]2)C1 ZINC000639370676 355863471 /nfs/dbraw/zinc/86/34/71/355863471.db2.gz FTGIXBVELCUFBW-QWHCGFSZSA-N 0 3 235.375 3.104 20 0 BGADHN CC(C)CC[C@H]1CC[C@H](NCc2ncc[nH]2)C1 ZINC000639370678 355863451 /nfs/dbraw/zinc/86/34/51/355863451.db2.gz FTGIXBVELCUFBW-STQMWFEESA-N 0 3 235.375 3.104 20 0 BGADHN CC1=C(C)C[C@H]([C@@H](C)NCc2ncc[nH]2)CC1 ZINC000639370736 355863288 /nfs/dbraw/zinc/86/32/88/355863288.db2.gz GKBXHVOHGKBNQF-CHWSQXEVSA-N 0 3 233.359 3.024 20 0 BGADHN CC1=C(C)C[C@@H]([C@@H](C)NCc2ncc[nH]2)CC1 ZINC000639370737 355863809 /nfs/dbraw/zinc/86/38/09/355863809.db2.gz GKBXHVOHGKBNQF-OLZOCXBDSA-N 0 3 233.359 3.024 20 0 BGADHN CC1=C(C)C[C@H]([C@H](C)NCc2ncc[nH]2)CC1 ZINC000639370742 355863774 /nfs/dbraw/zinc/86/37/74/355863774.db2.gz GKBXHVOHGKBNQF-QWHCGFSZSA-N 0 3 233.359 3.024 20 0 BGADHN CC1=C(C)C[C@@H]([C@H](C)NCc2ncc[nH]2)CC1 ZINC000639370744 355863250 /nfs/dbraw/zinc/86/32/50/355863250.db2.gz GKBXHVOHGKBNQF-STQMWFEESA-N 0 3 233.359 3.024 20 0 BGADHN CC(C)=CCC[C@@H](C)CCNCc1ncc[nH]1 ZINC000639371950 355872174 /nfs/dbraw/zinc/87/21/74/355872174.db2.gz OFOPSDLAMZASJC-CYBMUJFWSA-N 0 3 235.375 3.272 20 0 BGADHN CC(C)=CCC[C@H](C)CCNCc1ncc[nH]1 ZINC000639371951 355872396 /nfs/dbraw/zinc/87/23/96/355872396.db2.gz OFOPSDLAMZASJC-ZDUSSCGKSA-N 0 3 235.375 3.272 20 0 BGADHN CCCC[C@@H](CC)CCNCc1ncc[nH]1 ZINC000639372491 355874643 /nfs/dbraw/zinc/87/46/43/355874643.db2.gz QEPKRHWNASQVGH-GFCCVEGCSA-N 0 3 223.364 3.106 20 0 BGADHN CCCC[C@H](CC)CCNCc1ncc[nH]1 ZINC000639372492 355874624 /nfs/dbraw/zinc/87/46/24/355874624.db2.gz QEPKRHWNASQVGH-LBPRGKRZSA-N 0 3 223.364 3.106 20 0 BGADHN FC1(CN2CCC3(CCSCC3)CC2)CC1 ZINC000639374846 355878900 /nfs/dbraw/zinc/87/89/00/355878900.db2.gz LCDDYLWNMLUUHI-UHFFFAOYSA-N 0 3 243.391 3.098 20 0 BGADHN Cc1ccoc1CN1CCC(CCF)CC1 ZINC000639376430 355899664 /nfs/dbraw/zinc/89/96/64/355899664.db2.gz IVIZNDDNGSFBNF-UHFFFAOYSA-N 0 3 225.307 3.160 20 0 BGADHN Cc1occc1CN1CCC(CCF)CC1 ZINC000639376470 355900630 /nfs/dbraw/zinc/90/06/30/355900630.db2.gz LDXAKQBHWWFTRU-UHFFFAOYSA-N 0 3 225.307 3.160 20 0 BGADHN Cc1ncsc1CN1CCC(CCF)CC1 ZINC000639376731 355900647 /nfs/dbraw/zinc/90/06/47/355900647.db2.gz WZROZNWJYXMBDS-UHFFFAOYSA-N 0 3 242.363 3.023 20 0 BGADHN Cc1ncc([C@H](C)N[C@]23C[C@H]2CCCC3)c(C)n1 ZINC000639379348 355914188 /nfs/dbraw/zinc/91/41/88/355914188.db2.gz HVAFCPGZHLTEGP-NJZAAPMLSA-N 0 3 245.370 3.077 20 0 BGADHN Cc1ncc([C@H](C)N[C@@]23C[C@@H]2CCCC3)c(C)n1 ZINC000639379349 355913560 /nfs/dbraw/zinc/91/35/60/355913560.db2.gz HVAFCPGZHLTEGP-WHOFXGATSA-N 0 3 245.370 3.077 20 0 BGADHN CCC(C)(C)CCNCc1cnc(C2CC2)o1 ZINC000639379984 355917173 /nfs/dbraw/zinc/91/71/73/355917173.db2.gz BUKBRJHRWZQRCR-UHFFFAOYSA-N 0 3 236.359 3.468 20 0 BGADHN CCC(C)(C)CCNCc1cc(OC)ns1 ZINC000639381059 355918100 /nfs/dbraw/zinc/91/81/00/355918100.db2.gz KJQAUGWEZKTWHF-UHFFFAOYSA-N 0 3 242.388 3.068 20 0 BGADHN Cc1ccc(CN2CCC(CCF)CC2)o1 ZINC000639381148 355918356 /nfs/dbraw/zinc/91/83/56/355918356.db2.gz LRPHKGPLMGFPJB-UHFFFAOYSA-N 0 3 225.307 3.160 20 0 BGADHN CCC(C)(C)CCNCc1ccns1 ZINC000639381333 355921450 /nfs/dbraw/zinc/92/14/50/355921450.db2.gz NLKMCSAARUFWBQ-UHFFFAOYSA-N 0 3 212.362 3.059 20 0 BGADHN FCCC1CCN(Cc2cccs2)CC1 ZINC000639381426 355921488 /nfs/dbraw/zinc/92/14/88/355921488.db2.gz OSODBTUAKITYIW-UHFFFAOYSA-N 0 3 227.348 3.320 20 0 BGADHN Cc1ncc(CN2CCC(CCF)CC2)s1 ZINC000639381910 355925347 /nfs/dbraw/zinc/92/53/47/355925347.db2.gz TUWZKPOBJLGJMI-UHFFFAOYSA-N 0 3 242.363 3.023 20 0 BGADHN CCC(C)(C)CCNCc1cc(C2CC2)no1 ZINC000639382296 355930078 /nfs/dbraw/zinc/93/00/78/355930078.db2.gz VWLWYHQPYJDGQJ-UHFFFAOYSA-N 0 3 236.359 3.468 20 0 BGADHN CCC(C)(C)CCNCc1oc(C)nc1C ZINC000639382298 355929944 /nfs/dbraw/zinc/92/99/44/355929944.db2.gz VYIMNZLSZFVAJQ-UHFFFAOYSA-N 0 3 224.348 3.207 20 0 BGADHN FCCC1CCN(Cc2ccsc2)CC1 ZINC000639382512 355928634 /nfs/dbraw/zinc/92/86/34/355928634.db2.gz ZHYHXXNTZSMWKM-UHFFFAOYSA-N 0 3 227.348 3.320 20 0 BGADHN Cc1ccc(CN[C@@H]2CC=C(C)CC2)o1 ZINC000639385876 355978953 /nfs/dbraw/zinc/97/89/53/355978953.db2.gz DLPRTHPMESDCKO-GFCCVEGCSA-N 0 3 205.301 3.176 20 0 BGADHN Cc1ccc(CN[C@H]2CC=C(C)CC2)o1 ZINC000639385877 355979192 /nfs/dbraw/zinc/97/91/92/355979192.db2.gz DLPRTHPMESDCKO-LBPRGKRZSA-N 0 3 205.301 3.176 20 0 BGADHN Cc1ccc(CNCCCc2ccc(C)nc2)o1 ZINC000639385989 355984065 /nfs/dbraw/zinc/98/40/65/355984065.db2.gz FTEKDCSLYSCTDO-UHFFFAOYSA-N 0 3 244.338 3.014 20 0 BGADHN Cc1ccc(CN[C@H](C)C2CC(F)(F)C2)o1 ZINC000639387412 355999491 /nfs/dbraw/zinc/99/94/91/355999491.db2.gz REQMXUWXEVDKTJ-SECBINFHSA-N 0 3 229.270 3.111 20 0 BGADHN Cc1ccc(CN[C@@H](C)C2CC(F)(F)C2)o1 ZINC000639387420 355999426 /nfs/dbraw/zinc/99/94/26/355999426.db2.gz REQMXUWXEVDKTJ-VIFPVBQESA-N 0 3 229.270 3.111 20 0 BGADHN Cc1ccc(CN[C@@H]2CS[C@H](C(C)C)C2)o1 ZINC000639388237 356005868 /nfs/dbraw/zinc/00/58/68/356005868.db2.gz ZJALWRYVYQRWKQ-AAEUAGOBSA-N 0 3 239.384 3.208 20 0 BGADHN Cc1ccc(CN[C@H]2CS[C@@H](C(C)C)C2)o1 ZINC000639388238 356005561 /nfs/dbraw/zinc/00/55/61/356005561.db2.gz ZJALWRYVYQRWKQ-DGCLKSJQSA-N 0 3 239.384 3.208 20 0 BGADHN Cc1ccc(CN[C@@H]2CS[C@@H](C(C)C)C2)o1 ZINC000639388239 356005875 /nfs/dbraw/zinc/00/58/75/356005875.db2.gz ZJALWRYVYQRWKQ-WCQYABFASA-N 0 3 239.384 3.208 20 0 BGADHN Cc1ccc(CN[C@H]2CS[C@H](C(C)C)C2)o1 ZINC000639388240 356005820 /nfs/dbraw/zinc/00/58/20/356005820.db2.gz ZJALWRYVYQRWKQ-YPMHNXCESA-N 0 3 239.384 3.208 20 0 BGADHN COc1ccc(CN2CCC(C)(F)CC2)cc1 ZINC000639388477 356006435 /nfs/dbraw/zinc/00/64/35/356006435.db2.gz CTTVXJMSWIYTGU-UHFFFAOYSA-N 0 3 237.318 3.019 20 0 BGADHN CC1(F)CCN(Cc2cc3cccnc3o2)CC1 ZINC000639388482 356006448 /nfs/dbraw/zinc/00/64/48/356006448.db2.gz CZANHWRGVNJMIN-UHFFFAOYSA-N 0 3 248.301 3.152 20 0 BGADHN Cc1ccsc1CN1CCC(C)(F)CC1 ZINC000639388501 356006825 /nfs/dbraw/zinc/00/68/25/356006825.db2.gz DZQRQUGDGDUOFE-UHFFFAOYSA-N 0 3 227.348 3.381 20 0 BGADHN Cc1sccc1CN1CCC(C)(F)CC1 ZINC000639388526 356007020 /nfs/dbraw/zinc/00/70/20/356007020.db2.gz GDNAGCMTYTUYDC-UHFFFAOYSA-N 0 3 227.348 3.381 20 0 BGADHN CC1(F)CCN(Cc2cccs2)CC1 ZINC000639388531 356006467 /nfs/dbraw/zinc/00/64/67/356006467.db2.gz GKJUJALEDZVZBF-UHFFFAOYSA-N 0 3 213.321 3.072 20 0 BGADHN CC1(F)CCN(Cc2ccc3cc[nH]c3c2)CC1 ZINC000639388566 356007725 /nfs/dbraw/zinc/00/77/25/356007725.db2.gz HGQSYKYWLHZAKG-UHFFFAOYSA-N 0 3 246.329 3.492 20 0 BGADHN COc1ccccc1CN1CCC(C)(F)CC1 ZINC000639388598 356007542 /nfs/dbraw/zinc/00/75/42/356007542.db2.gz IIJSPJVYFQDSIJ-UHFFFAOYSA-N 0 3 237.318 3.019 20 0 BGADHN Cc1nc(C)c(CN2CCC(C)(F)CC2)s1 ZINC000639388721 356007436 /nfs/dbraw/zinc/00/74/36/356007436.db2.gz LFIYRNTZRHVSFB-UHFFFAOYSA-N 0 3 242.363 3.084 20 0 BGADHN COc1cccc(CN2CCC(C)(F)CC2)c1 ZINC000639388857 356008786 /nfs/dbraw/zinc/00/87/86/356008786.db2.gz ODACXEOHJPBWIK-UHFFFAOYSA-N 0 3 237.318 3.019 20 0 BGADHN COc1ccsc1CN1CCC(C)(F)CC1 ZINC000639389166 356011437 /nfs/dbraw/zinc/01/14/37/356011437.db2.gz RXXGGMVXARIZOS-UHFFFAOYSA-N 0 3 243.347 3.081 20 0 BGADHN CC1(F)CCN(Cc2cc3cnccc3o2)CC1 ZINC000639389203 356011894 /nfs/dbraw/zinc/01/18/94/356011894.db2.gz UCLSECIUSLONKK-UHFFFAOYSA-N 0 3 248.301 3.152 20 0 BGADHN C[C@H](CC1CCC1)NCc1nc2ccccc2o1 ZINC000639389418 356014520 /nfs/dbraw/zinc/01/45/20/356014520.db2.gz JCIMKJHWXCLQDF-LLVKDONJSA-N 0 3 244.338 3.496 20 0 BGADHN C[C@@H](CC1CCC1)NCc1nc2ccccc2o1 ZINC000639389419 356015046 /nfs/dbraw/zinc/01/50/46/356015046.db2.gz JCIMKJHWXCLQDF-NSHDSACASA-N 0 3 244.338 3.496 20 0 BGADHN CC1(F)CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000639389449 356015132 /nfs/dbraw/zinc/01/51/32/356015132.db2.gz WHNJKGBQUKEGAG-UHFFFAOYSA-N 0 3 246.329 3.492 20 0 BGADHN CC1(F)CCN(Cc2ccc3[nH]ccc3c2)CC1 ZINC000639389486 356016139 /nfs/dbraw/zinc/01/61/39/356016139.db2.gz YKVOYOFSTVRGPE-UHFFFAOYSA-N 0 3 246.329 3.492 20 0 BGADHN CC1(F)CCN(Cc2ccsc2)CC1 ZINC000639389521 356016756 /nfs/dbraw/zinc/01/67/56/356016756.db2.gz ZWWIPLAPGKJKRB-UHFFFAOYSA-N 0 3 213.321 3.072 20 0 BGADHN C[C@@H](CC1CCC1)NCc1cc(C2CC2)no1 ZINC000639389971 356020836 /nfs/dbraw/zinc/02/08/36/356020836.db2.gz RJHXKUUUALXKIY-JTQLQIEISA-N 0 3 234.343 3.220 20 0 BGADHN C[C@H](CC1CCC1)NCc1cc(C2CC2)no1 ZINC000639389972 356020593 /nfs/dbraw/zinc/02/05/93/356020593.db2.gz RJHXKUUUALXKIY-SNVBAGLBSA-N 0 3 234.343 3.220 20 0 BGADHN Cc1ccccc1[C@@H](C)N[C@@H]1CO[C@H](C2CC2)C1 ZINC000639390041 356021009 /nfs/dbraw/zinc/02/10/09/356021009.db2.gz WIIOIVPETOLVFP-INWMFGNUSA-N 0 3 245.366 3.213 20 0 BGADHN Cc1ccccc1[C@@H](C)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000639390042 356020473 /nfs/dbraw/zinc/02/04/73/356020473.db2.gz WIIOIVPETOLVFP-IVMMDQJWSA-N 0 3 245.366 3.213 20 0 BGADHN Cc1ccccc1[C@@H](C)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000639390044 356020868 /nfs/dbraw/zinc/02/08/68/356020868.db2.gz WIIOIVPETOLVFP-XNRPHZJLSA-N 0 3 245.366 3.213 20 0 BGADHN Cc1ccccc1[C@@H](C)N[C@H]1CO[C@H](C2CC2)C1 ZINC000639390046 356020716 /nfs/dbraw/zinc/02/07/16/356020716.db2.gz WIIOIVPETOLVFP-XPKDYRNWSA-N 0 3 245.366 3.213 20 0 BGADHN C[C@H](CC1CCC1)NCc1ccc2c(n1)CCC2 ZINC000639390182 356021373 /nfs/dbraw/zinc/02/13/73/356021373.db2.gz VMFRARCYOJSWPM-GFCCVEGCSA-N 0 3 244.382 3.239 20 0 BGADHN C[C@@H](CC1CCC1)NCc1ccc2c(n1)CCC2 ZINC000639390184 356022134 /nfs/dbraw/zinc/02/21/34/356022134.db2.gz VMFRARCYOJSWPM-LBPRGKRZSA-N 0 3 244.382 3.239 20 0 BGADHN Cc1ccc(CCN[C@@H]2C[C@H]2C(F)(F)F)cc1 ZINC000639390624 356031043 /nfs/dbraw/zinc/03/10/43/356031043.db2.gz HSPRRDGHAFSKSK-VXGBXAGGSA-N 0 3 243.272 3.078 20 0 BGADHN Cc1nocc1CN1CCC[C@H](C2CCC2)CC1 ZINC000639391417 356028872 /nfs/dbraw/zinc/02/88/72/356028872.db2.gz CUNYYELXPYPCMJ-AWEZNQCLSA-N 0 3 248.370 3.385 20 0 BGADHN Cc1nocc1CN1CCC[C@@H](C2CCC2)CC1 ZINC000639391418 356028040 /nfs/dbraw/zinc/02/80/40/356028040.db2.gz CUNYYELXPYPCMJ-CQSZACIVSA-N 0 3 248.370 3.385 20 0 BGADHN Cc1c[nH]nc1CN1CCC[C@H](C2CCC2)CC1 ZINC000639391732 356045503 /nfs/dbraw/zinc/04/55/03/356045503.db2.gz IWBYDCVZPGLVDN-AWEZNQCLSA-N 0 3 247.386 3.120 20 0 BGADHN Cc1c[nH]nc1CN1CCC[C@@H](C2CCC2)CC1 ZINC000639391733 356045613 /nfs/dbraw/zinc/04/56/13/356045613.db2.gz IWBYDCVZPGLVDN-CQSZACIVSA-N 0 3 247.386 3.120 20 0 BGADHN Cc1cc(CN2CCC[C@H](C3CCC3)CC2)on1 ZINC000639391775 356045415 /nfs/dbraw/zinc/04/54/15/356045415.db2.gz KBFTYEJCFCVFOW-AWEZNQCLSA-N 0 3 248.370 3.385 20 0 BGADHN Cc1cc(CN2CCC[C@@H](C3CCC3)CC2)on1 ZINC000639391776 356045732 /nfs/dbraw/zinc/04/57/32/356045732.db2.gz KBFTYEJCFCVFOW-CQSZACIVSA-N 0 3 248.370 3.385 20 0 BGADHN Cc1n[nH]cc1CN1CCC[C@H](C2CCC2)CC1 ZINC000639392551 356057394 /nfs/dbraw/zinc/05/73/94/356057394.db2.gz ZGSGFIJOWAGJIV-AWEZNQCLSA-N 0 3 247.386 3.120 20 0 BGADHN Cc1n[nH]cc1CN1CCC[C@@H](C2CCC2)CC1 ZINC000639392552 356057316 /nfs/dbraw/zinc/05/73/16/356057316.db2.gz ZGSGFIJOWAGJIV-CQSZACIVSA-N 0 3 247.386 3.120 20 0 BGADHN Cc1ncc(CN2CCC[C@H](C3CCC3)CC2)o1 ZINC000639392566 356038006 /nfs/dbraw/zinc/03/80/06/356038006.db2.gz ZVNLGSWAXJEFHE-AWEZNQCLSA-N 0 3 248.370 3.385 20 0 BGADHN Cc1ncc(CN2CCC[C@@H](C3CCC3)CC2)o1 ZINC000639392567 356038633 /nfs/dbraw/zinc/03/86/33/356038633.db2.gz ZVNLGSWAXJEFHE-CQSZACIVSA-N 0 3 248.370 3.385 20 0 BGADHN CC1(C)CN(Cc2ccc3[nH]ccc3c2)C1 ZINC000639392911 356061900 /nfs/dbraw/zinc/06/19/00/356061900.db2.gz CCKRRHABSAXIHT-UHFFFAOYSA-N 0 3 214.312 3.010 20 0 BGADHN C[C@@H](Cc1ccsc1)N1CC(C)(C)C1 ZINC000639392978 356062485 /nfs/dbraw/zinc/06/24/85/356062485.db2.gz DQQFXJNJNHKYKS-JTQLQIEISA-N 0 3 209.358 3.021 20 0 BGADHN C[C@H](Cc1ccsc1)N1CC(C)(C)C1 ZINC000639392979 356062233 /nfs/dbraw/zinc/06/22/33/356062233.db2.gz DQQFXJNJNHKYKS-SNVBAGLBSA-N 0 3 209.358 3.021 20 0 BGADHN CC1(C)CN(Cc2cccc3cnccc32)C1 ZINC000639392982 356062198 /nfs/dbraw/zinc/06/21/98/356062198.db2.gz DSDMLKHYHXKXEF-UHFFFAOYSA-N 0 3 226.323 3.077 20 0 BGADHN CC1(C)CN(Cc2ccc(C(F)F)cc2)C1 ZINC000639393016 356063223 /nfs/dbraw/zinc/06/32/23/356063223.db2.gz FBBFNTYAPUBTRI-UHFFFAOYSA-N 0 3 225.282 3.466 20 0 BGADHN Cc1cc(CN2CC(C)(C)C2)cc2cccnc12 ZINC000639393556 356059984 /nfs/dbraw/zinc/05/99/84/356059984.db2.gz NEFRZAJVGWZINC-UHFFFAOYSA-N 0 3 240.350 3.385 20 0 BGADHN Cc1ccc2cc(CN3CC(C)(C)C3)ccc2n1 ZINC000639393825 356075029 /nfs/dbraw/zinc/07/50/29/356075029.db2.gz UFJYMPKIYXURTN-UHFFFAOYSA-N 0 3 240.350 3.385 20 0 BGADHN CC1(C)CN(Cc2ccc3cnccc3c2)C1 ZINC000639393867 356075775 /nfs/dbraw/zinc/07/57/75/356075775.db2.gz VWMAVZSTYTWALC-UHFFFAOYSA-N 0 3 226.323 3.077 20 0 BGADHN CC1(C)CN(Cc2ccc3cc[nH]c3c2)C1 ZINC000639393923 356077207 /nfs/dbraw/zinc/07/72/07/356077207.db2.gz XXLQNRUWRJVJJF-UHFFFAOYSA-N 0 3 214.312 3.010 20 0 BGADHN C[C@@H]1C[C@H]1CN[C@@H](CF)c1ccc(F)cc1 ZINC000639395462 541426366 /nfs/dbraw/zinc/42/63/66/541426366.db2.gz OYJDIZCATFFGMJ-CDMKHQONSA-N 0 3 225.282 3.082 20 0 BGADHN C[C@@H]1C[C@@H]1CN[C@H](CF)c1ccc(F)cc1 ZINC000639395463 541426354 /nfs/dbraw/zinc/42/63/54/541426354.db2.gz OYJDIZCATFFGMJ-IRUJWGPZSA-N 0 3 225.282 3.082 20 0 BGADHN C[C@@H]1C[C@H]1CN[C@H](CF)c1ccc(F)cc1 ZINC000639395464 541426373 /nfs/dbraw/zinc/42/63/73/541426373.db2.gz OYJDIZCATFFGMJ-SUZMYJTESA-N 0 3 225.282 3.082 20 0 BGADHN C[C@@H]1C[C@@H]1CN[C@@H](CF)c1ccc(F)cc1 ZINC000639395465 541426359 /nfs/dbraw/zinc/42/63/59/541426359.db2.gz OYJDIZCATFFGMJ-XWIASGKRSA-N 0 3 225.282 3.082 20 0 BGADHN c1ccc2oc(CN[C@]34C[C@H]3CCCC4)nc2c1 ZINC000639395905 356106670 /nfs/dbraw/zinc/10/66/70/356106670.db2.gz PUABTIOEYNCTJQ-IAQYHMDHSA-N 0 3 242.322 3.250 20 0 BGADHN c1ccc2oc(CN[C@@]34C[C@@H]3CCCC4)nc2c1 ZINC000639395906 356107224 /nfs/dbraw/zinc/10/72/24/356107224.db2.gz PUABTIOEYNCTJQ-NHYWBVRUSA-N 0 3 242.322 3.250 20 0 BGADHN Cc1n[nH]c(C)c1CN(C)C[C@H](C)C(C)(C)C ZINC000639397434 356105540 /nfs/dbraw/zinc/10/55/40/356105540.db2.gz CBHJFFODQMOQAO-JTQLQIEISA-N 0 3 237.391 3.141 20 0 BGADHN Cc1n[nH]c(C)c1CN(C)C[C@@H](C)C(C)(C)C ZINC000639397437 356105611 /nfs/dbraw/zinc/10/56/11/356105611.db2.gz CBHJFFODQMOQAO-SNVBAGLBSA-N 0 3 237.391 3.141 20 0 BGADHN Cc1cc(CN(C)C[C@H](C)C(C)(C)C)on1 ZINC000639397467 356106220 /nfs/dbraw/zinc/10/62/20/356106220.db2.gz CDNCHSCHKSSNCC-JTQLQIEISA-N 0 3 224.348 3.097 20 0 BGADHN Cc1cc(CN(C)C[C@@H](C)C(C)(C)C)on1 ZINC000639397469 356105554 /nfs/dbraw/zinc/10/55/54/356105554.db2.gz CDNCHSCHKSSNCC-SNVBAGLBSA-N 0 3 224.348 3.097 20 0 BGADHN C[C@H](CN(C)Cc1ccncc1F)C(C)(C)C ZINC000639397763 356113487 /nfs/dbraw/zinc/11/34/87/356113487.db2.gz FBAJGWYJWRQSHG-LLVKDONJSA-N 0 3 238.350 3.335 20 0 BGADHN C[C@@H](CN(C)Cc1ccncc1F)C(C)(C)C ZINC000639397764 356113505 /nfs/dbraw/zinc/11/35/05/356113505.db2.gz FBAJGWYJWRQSHG-NSHDSACASA-N 0 3 238.350 3.335 20 0 BGADHN Cc1ncc(CN(C)C[C@H](C)C(C)(C)C)o1 ZINC000639398001 356109149 /nfs/dbraw/zinc/10/91/49/356109149.db2.gz HODUEGQPITZCSW-JTQLQIEISA-N 0 3 224.348 3.097 20 0 BGADHN Cc1ncc(CN(C)C[C@@H](C)C(C)(C)C)o1 ZINC000639398004 356108922 /nfs/dbraw/zinc/10/89/22/356108922.db2.gz HODUEGQPITZCSW-SNVBAGLBSA-N 0 3 224.348 3.097 20 0 BGADHN C[C@H](CN(C)Cc1cncc(F)c1)C(C)(C)C ZINC000639398384 356116713 /nfs/dbraw/zinc/11/67/13/356116713.db2.gz JWVHDFATTJGSMF-LLVKDONJSA-N 0 3 238.350 3.335 20 0 BGADHN C[C@@H](CN(C)Cc1cncc(F)c1)C(C)(C)C ZINC000639398389 356116878 /nfs/dbraw/zinc/11/68/78/356116878.db2.gz JWVHDFATTJGSMF-NSHDSACASA-N 0 3 238.350 3.335 20 0 BGADHN Cc1nc(C)c(CN(C)C[C@H](C)C(C)(C)C)o1 ZINC000639398961 356119244 /nfs/dbraw/zinc/11/92/44/356119244.db2.gz NEQWWZHCJVUDGU-JTQLQIEISA-N 0 3 238.375 3.405 20 0 BGADHN Cc1nc(C)c(CN(C)C[C@@H](C)C(C)(C)C)o1 ZINC000639398962 356119416 /nfs/dbraw/zinc/11/94/16/356119416.db2.gz NEQWWZHCJVUDGU-SNVBAGLBSA-N 0 3 238.375 3.405 20 0 BGADHN C[C@@H](CN(C)Cc1ccns1)C(C)(C)C ZINC000639399034 356121133 /nfs/dbraw/zinc/12/11/33/356121133.db2.gz NXCDNVHHXLZSOA-JTQLQIEISA-N 0 3 226.389 3.257 20 0 BGADHN C[C@H](CN(C)Cc1ccns1)C(C)(C)C ZINC000639399037 356121272 /nfs/dbraw/zinc/12/12/72/356121272.db2.gz NXCDNVHHXLZSOA-SNVBAGLBSA-N 0 3 226.389 3.257 20 0 BGADHN CCn1nccc1CN(C)C[C@@H](C)C(C)(C)C ZINC000639399810 356132547 /nfs/dbraw/zinc/13/25/47/356132547.db2.gz VCWOYBDXNDBLAE-GFCCVEGCSA-N 0 3 237.391 3.017 20 0 BGADHN CCn1nccc1CN(C)C[C@H](C)C(C)(C)C ZINC000639399811 356132061 /nfs/dbraw/zinc/13/20/61/356132061.db2.gz VCWOYBDXNDBLAE-LBPRGKRZSA-N 0 3 237.391 3.017 20 0 BGADHN Cc1nocc1CN(C)C[C@H](C)C(C)(C)C ZINC000639399997 356138381 /nfs/dbraw/zinc/13/83/81/356138381.db2.gz VMEFUBOEKMLZJK-JTQLQIEISA-N 0 3 224.348 3.097 20 0 BGADHN Cc1nocc1CN(C)C[C@@H](C)C(C)(C)C ZINC000639399998 356138204 /nfs/dbraw/zinc/13/82/04/356138204.db2.gz VMEFUBOEKMLZJK-SNVBAGLBSA-N 0 3 224.348 3.097 20 0 BGADHN CCn1cncc1CN(C)C[C@@H](C)C(C)(C)C ZINC000639400017 356138525 /nfs/dbraw/zinc/13/85/25/356138525.db2.gz VZTZJSSGONAZPK-GFCCVEGCSA-N 0 3 237.391 3.017 20 0 BGADHN CCn1cncc1CN(C)C[C@H](C)C(C)(C)C ZINC000639400018 356138096 /nfs/dbraw/zinc/13/80/96/356138096.db2.gz VZTZJSSGONAZPK-LBPRGKRZSA-N 0 3 237.391 3.017 20 0 BGADHN C[C@@H](CN(C)Cc1cncs1)C(C)(C)C ZINC000639400031 356139272 /nfs/dbraw/zinc/13/92/72/356139272.db2.gz WNHIXDHUYXXMLY-JTQLQIEISA-N 0 3 226.389 3.257 20 0 BGADHN C[C@H](CN(C)Cc1cncs1)C(C)(C)C ZINC000639400032 356139118 /nfs/dbraw/zinc/13/91/18/356139118.db2.gz WNHIXDHUYXXMLY-SNVBAGLBSA-N 0 3 226.389 3.257 20 0 BGADHN CCc1ncc(CN(C)C[C@@H](C)C(C)(C)C)cn1 ZINC000639400035 356139221 /nfs/dbraw/zinc/13/92/21/356139221.db2.gz WNXDTAOKOSWFBX-GFCCVEGCSA-N 0 3 249.402 3.153 20 0 BGADHN CCc1ncc(CN(C)C[C@H](C)C(C)(C)C)cn1 ZINC000639400036 356139195 /nfs/dbraw/zinc/13/91/95/356139195.db2.gz WNXDTAOKOSWFBX-LBPRGKRZSA-N 0 3 249.402 3.153 20 0 BGADHN CC1(C)CN(Cc2cccc3cc[nH]c32)C1 ZINC000639405823 356198990 /nfs/dbraw/zinc/19/89/90/356198990.db2.gz MDMUYYGJGKSJOC-UHFFFAOYSA-N 0 3 214.312 3.010 20 0 BGADHN CC1(C)CN(Cc2nccc3ccccc32)C1 ZINC000639406669 356200773 /nfs/dbraw/zinc/20/07/73/356200773.db2.gz RXARCMHTMPTXAB-UHFFFAOYSA-N 0 3 226.323 3.077 20 0 BGADHN CC1(C)CN(Cc2ccnc3ccccc23)C1 ZINC000639406771 356201171 /nfs/dbraw/zinc/20/11/71/356201171.db2.gz UKWGCQSJOYMKGX-UHFFFAOYSA-N 0 3 226.323 3.077 20 0 BGADHN CC1(C)CN(Cc2cccc3[nH]ccc32)C1 ZINC000639407247 356200723 /nfs/dbraw/zinc/20/07/23/356200723.db2.gz VTYOQFJKPSGIKS-UHFFFAOYSA-N 0 3 214.312 3.010 20 0 BGADHN CC1(C)CN(Cc2ccc3ncccc3c2)C1 ZINC000639407720 356201200 /nfs/dbraw/zinc/20/12/00/356201200.db2.gz ZIBIIYHHWVCLNJ-UHFFFAOYSA-N 0 3 226.323 3.077 20 0 BGADHN CC1(C)CN(Cc2cccc3cccnc32)C1 ZINC000639407721 356201195 /nfs/dbraw/zinc/20/11/95/356201195.db2.gz ZIIXAJZXJDTVGA-UHFFFAOYSA-N 0 3 226.323 3.077 20 0 BGADHN CCCCN(C)Cc1c(C)cc(C)nc1C ZINC000639432898 356211684 /nfs/dbraw/zinc/21/16/84/356211684.db2.gz DBKZMGFOHWEMCU-UHFFFAOYSA-N 0 3 220.360 3.239 20 0 BGADHN CCN(CC)Cc1oc(-c2ccccc2)nc1C ZINC000639439489 356216752 /nfs/dbraw/zinc/21/67/52/356216752.db2.gz GJULZGBODRZSPL-UHFFFAOYSA-N 0 3 244.338 3.492 20 0 BGADHN Cc1nc(-c2ccccc2)oc1CN1CCCC1 ZINC000639443350 356221568 /nfs/dbraw/zinc/22/15/68/356221568.db2.gz DWHIBBQFGCZNBK-UHFFFAOYSA-N 0 3 242.322 3.246 20 0 BGADHN Cc1cc(C)c(CN2C3CCC2CC3)c(C)n1 ZINC000639448799 356229207 /nfs/dbraw/zinc/22/92/07/356229207.db2.gz NPEFVSIHNBXLSZ-UHFFFAOYSA-N 0 3 230.355 3.134 20 0 BGADHN Cc1cc(C)c(CN(C(C)C)C2CC2)c(C)n1 ZINC000639452475 356232796 /nfs/dbraw/zinc/23/27/96/356232796.db2.gz QDPAGQCFLJWFAB-UHFFFAOYSA-N 0 3 232.371 3.380 20 0 BGADHN Cc1nc(-c2ccccc2)oc1CN(C)C1CC1 ZINC000639452746 356233385 /nfs/dbraw/zinc/23/33/85/356233385.db2.gz SLYMCVGRGHTQHC-UHFFFAOYSA-N 0 3 242.322 3.244 20 0 BGADHN C[C@@H](c1cccs1)N(C)Cc1cc[nH]c(=O)c1 ZINC000639454341 356238603 /nfs/dbraw/zinc/23/86/03/356238603.db2.gz XYDGKPSIPLTNKM-JTQLQIEISA-N 0 3 248.351 3.042 20 0 BGADHN C[C@H](c1cccs1)N(C)Cc1cc[nH]c(=O)c1 ZINC000639454343 356238888 /nfs/dbraw/zinc/23/88/88/356238888.db2.gz XYDGKPSIPLTNKM-SNVBAGLBSA-N 0 3 248.351 3.042 20 0 BGADHN CC(=O)CN1CCCCC[C@H]1c1ccccc1 ZINC000639455891 356241240 /nfs/dbraw/zinc/24/12/40/356241240.db2.gz YSHCKTRCLJFUII-HNNXBMFYSA-N 0 3 231.339 3.193 20 0 BGADHN CC(=O)CN1CCCCC[C@@H]1c1ccccc1 ZINC000639455892 356241266 /nfs/dbraw/zinc/24/12/66/356241266.db2.gz YSHCKTRCLJFUII-OAHLLOKOSA-N 0 3 231.339 3.193 20 0 BGADHN CCCN(C)Cc1oc(-c2ccccc2)nc1C ZINC000639465506 356251981 /nfs/dbraw/zinc/25/19/81/356251981.db2.gz LQACGOPLANURLE-UHFFFAOYSA-N 0 3 244.338 3.492 20 0 BGADHN CC(=O)CN1CCC[C@H]1c1cccc(C)c1C ZINC000639497433 356326002 /nfs/dbraw/zinc/32/60/02/356326002.db2.gz UHWCPHMHAZEWCR-HNNXBMFYSA-N 0 3 231.339 3.029 20 0 BGADHN CC(=O)CN1CCC[C@@H]1c1cccc(C)c1C ZINC000639497435 356325649 /nfs/dbraw/zinc/32/56/49/356325649.db2.gz UHWCPHMHAZEWCR-OAHLLOKOSA-N 0 3 231.339 3.029 20 0 BGADHN CC(=O)CN(C)[C@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000639500193 356329007 /nfs/dbraw/zinc/32/90/07/356329007.db2.gz LFPDMOSGYBCUNK-CVEARBPZSA-N 0 3 245.366 3.152 20 0 BGADHN CC(=O)CN(C)[C@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000639500194 356329350 /nfs/dbraw/zinc/32/93/50/356329350.db2.gz LFPDMOSGYBCUNK-HOTGVXAUSA-N 0 3 245.366 3.152 20 0 BGADHN CC(=O)CN(C)[C@@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000639500195 356329110 /nfs/dbraw/zinc/32/91/10/356329110.db2.gz LFPDMOSGYBCUNK-HZPDHXFCSA-N 0 3 245.366 3.152 20 0 BGADHN CC(=O)CN(C)[C@@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000639500196 356329372 /nfs/dbraw/zinc/32/93/72/356329372.db2.gz LFPDMOSGYBCUNK-JKSUJKDBSA-N 0 3 245.366 3.152 20 0 BGADHN C[C@H]1c2ccccc2CN1C[C@H]1CC(C)(C)CO1 ZINC000639509035 356338481 /nfs/dbraw/zinc/33/84/81/356338481.db2.gz WUIKFEAPVIDGCS-GXTWGEPZSA-N 0 3 245.366 3.378 20 0 BGADHN C[C@H]1c2ccccc2CN1C[C@@H]1CC(C)(C)CO1 ZINC000639509036 356338064 /nfs/dbraw/zinc/33/80/64/356338064.db2.gz WUIKFEAPVIDGCS-JSGCOSHPSA-N 0 3 245.366 3.378 20 0 BGADHN C[C@@H]1c2ccccc2CN1C[C@@H]1CC(C)(C)CO1 ZINC000639509038 356338228 /nfs/dbraw/zinc/33/82/28/356338228.db2.gz WUIKFEAPVIDGCS-OCCSQVGLSA-N 0 3 245.366 3.378 20 0 BGADHN C[C@@H]1c2ccccc2CN1C[C@H]1CC(C)(C)CO1 ZINC000639509040 356338709 /nfs/dbraw/zinc/33/87/09/356338709.db2.gz WUIKFEAPVIDGCS-TZMCWYRMSA-N 0 3 245.366 3.378 20 0 BGADHN CC1(C)CO[C@@H](CN2CC[C@H]2c2ccccc2)C1 ZINC000639510286 356343001 /nfs/dbraw/zinc/34/30/01/356343001.db2.gz ADRAQZQZBUMFJH-CABCVRRESA-N 0 3 245.366 3.249 20 0 BGADHN CC1(C)CO[C@H](CN2CC[C@H]2c2ccccc2)C1 ZINC000639510287 356342895 /nfs/dbraw/zinc/34/28/95/356342895.db2.gz ADRAQZQZBUMFJH-GJZGRUSLSA-N 0 3 245.366 3.249 20 0 BGADHN CC1(C)CO[C@@H](CN2CC[C@@H]2c2ccccc2)C1 ZINC000639510288 356342761 /nfs/dbraw/zinc/34/27/61/356342761.db2.gz ADRAQZQZBUMFJH-HUUCEWRRSA-N 0 3 245.366 3.249 20 0 BGADHN CC1(C)CO[C@H](CN2CC[C@@H]2c2ccccc2)C1 ZINC000639510289 356342498 /nfs/dbraw/zinc/34/24/98/356342498.db2.gz ADRAQZQZBUMFJH-LSDHHAIUSA-N 0 3 245.366 3.249 20 0 BGADHN CC(=O)CN1CCC[C@H]1c1cc(C)ccc1C ZINC000639517996 356359880 /nfs/dbraw/zinc/35/98/80/356359880.db2.gz VOIYSVONYKUQPI-HNNXBMFYSA-N 0 3 231.339 3.029 20 0 BGADHN CC(=O)CN1CCC[C@@H]1c1cc(C)ccc1C ZINC000639517997 356360379 /nfs/dbraw/zinc/36/03/79/356360379.db2.gz VOIYSVONYKUQPI-OAHLLOKOSA-N 0 3 231.339 3.029 20 0 BGADHN CCc1ccc([C@@H](NCC(C)=O)C(C)C)cc1 ZINC000639523510 356367802 /nfs/dbraw/zinc/36/78/02/356367802.db2.gz FRXWLWFLWCPQBK-HNNXBMFYSA-N 0 3 233.355 3.125 20 0 BGADHN CCc1ccc([C@H](NCC(C)=O)C(C)C)cc1 ZINC000639523514 356367523 /nfs/dbraw/zinc/36/75/23/356367523.db2.gz FRXWLWFLWCPQBK-OAHLLOKOSA-N 0 3 233.355 3.125 20 0 BGADHN CC(=O)CN[C@@H](c1ccccc1)C1CCCC1 ZINC000639529825 387311310 /nfs/dbraw/zinc/31/13/10/387311310.db2.gz SPVVKMZUYRMNHN-HNNXBMFYSA-N 0 3 231.339 3.097 20 0 BGADHN CC(=O)CN[C@H](c1ccccc1)C1CCCC1 ZINC000639529832 387312049 /nfs/dbraw/zinc/31/20/49/387312049.db2.gz SPVVKMZUYRMNHN-OAHLLOKOSA-N 0 3 231.339 3.097 20 0 BGADHN C[C@H](c1ccco1)N(C[C@@H]1CCO[C@H]1C)C1CC1 ZINC000639537789 356389888 /nfs/dbraw/zinc/38/98/88/356389888.db2.gz AEAGHEYOFZACAM-AGIUHOORSA-N 0 3 249.354 3.230 20 0 BGADHN C[C@@H](c1ccco1)N(C[C@@H]1CCO[C@H]1C)C1CC1 ZINC000639537791 356389850 /nfs/dbraw/zinc/38/98/50/356389850.db2.gz AEAGHEYOFZACAM-AVGNSLFASA-N 0 3 249.354 3.230 20 0 BGADHN C[C@H](c1ccco1)N(C[C@H]1CCO[C@H]1C)C1CC1 ZINC000639537792 356390030 /nfs/dbraw/zinc/39/00/30/356390030.db2.gz AEAGHEYOFZACAM-FRRDWIJNSA-N 0 3 249.354 3.230 20 0 BGADHN C[C@@H](c1ccco1)N(C[C@H]1CCO[C@H]1C)C1CC1 ZINC000639537793 356390124 /nfs/dbraw/zinc/39/01/24/356390124.db2.gz AEAGHEYOFZACAM-RWMBFGLXSA-N 0 3 249.354 3.230 20 0 BGADHN Cc1cc(C)c(CN(C)CCC2CC2)c(C)n1 ZINC000639543290 356402122 /nfs/dbraw/zinc/40/21/22/356402122.db2.gz FCFXKODPNZEJMA-UHFFFAOYSA-N 0 3 232.371 3.239 20 0 BGADHN Cc1cc(C)c(CN2CCC3(CC3)CC2)c(C)n1 ZINC000639550872 356431584 /nfs/dbraw/zinc/43/15/84/356431584.db2.gz CPAJSUOOXLHHGH-UHFFFAOYSA-N 0 3 244.382 3.383 20 0 BGADHN CCC(CC)[C@@H](NCC(C)=O)c1cccs1 ZINC000639561401 356475519 /nfs/dbraw/zinc/47/55/19/356475519.db2.gz LGWWZBFAHKCKIU-CYBMUJFWSA-N 0 3 239.384 3.404 20 0 BGADHN CCC(CC)[C@H](NCC(C)=O)c1cccs1 ZINC000639561403 356475605 /nfs/dbraw/zinc/47/56/05/356475605.db2.gz LGWWZBFAHKCKIU-ZDUSSCGKSA-N 0 3 239.384 3.404 20 0 BGADHN CC(=O)CN[C@@H](CC(C)(C)C)c1ccccc1 ZINC000639561879 356476867 /nfs/dbraw/zinc/47/68/67/356476867.db2.gz PTROYROMKYBEIE-AWEZNQCLSA-N 0 3 233.355 3.343 20 0 BGADHN CC(=O)CN[C@H](CC(C)(C)C)c1ccccc1 ZINC000639561880 356477216 /nfs/dbraw/zinc/47/72/16/356477216.db2.gz PTROYROMKYBEIE-CQSZACIVSA-N 0 3 233.355 3.343 20 0 BGADHN CC(=O)CN[C@H](C)c1cccc2ccccc21 ZINC000639561967 356477012 /nfs/dbraw/zinc/47/70/12/356477012.db2.gz QPNCAPWKGHUGTP-GFCCVEGCSA-N 0 3 227.307 3.079 20 0 BGADHN CC(=O)CN[C@@H](C)c1cccc2ccccc21 ZINC000639561968 356476763 /nfs/dbraw/zinc/47/67/63/356476763.db2.gz QPNCAPWKGHUGTP-LBPRGKRZSA-N 0 3 227.307 3.079 20 0 BGADHN CC[C@@H](C)[C@@H](C)NCC(=O)c1ccccc1F ZINC000639564791 356480967 /nfs/dbraw/zinc/48/09/67/356480967.db2.gz CQNAUHOQSAVZSO-GHMZBOCLSA-N 0 3 237.318 3.033 20 0 BGADHN CC[C@@H](C)[C@H](C)NCC(=O)c1ccccc1F ZINC000639564792 356481187 /nfs/dbraw/zinc/48/11/87/356481187.db2.gz CQNAUHOQSAVZSO-MNOVXSKESA-N 0 3 237.318 3.033 20 0 BGADHN CC[C@H](C)[C@H](C)NCC(=O)c1ccccc1F ZINC000639564793 356481031 /nfs/dbraw/zinc/48/10/31/356481031.db2.gz CQNAUHOQSAVZSO-QWRGUYRKSA-N 0 3 237.318 3.033 20 0 BGADHN CC[C@H](C)[C@@H](C)NCC(=O)c1ccccc1F ZINC000639564794 356481268 /nfs/dbraw/zinc/48/12/68/356481268.db2.gz CQNAUHOQSAVZSO-WDEREUQCSA-N 0 3 237.318 3.033 20 0 BGADHN CC(=O)CN[C@@H](CC(C)C)c1ccccc1C ZINC000639566399 356486711 /nfs/dbraw/zinc/48/67/11/356486711.db2.gz YMQMJOXHSBNELN-HNNXBMFYSA-N 0 3 233.355 3.261 20 0 BGADHN CC(=O)CN[C@H](CC(C)C)c1ccccc1C ZINC000639566400 356486983 /nfs/dbraw/zinc/48/69/83/356486983.db2.gz YMQMJOXHSBNELN-OAHLLOKOSA-N 0 3 233.355 3.261 20 0 BGADHN CC(=O)CN[C@@H](c1ccccc1C)C(C)(C)C ZINC000639566557 356484941 /nfs/dbraw/zinc/48/49/41/356484941.db2.gz UDOIGHKZNKQLQG-AWEZNQCLSA-N 0 3 233.355 3.261 20 0 BGADHN CC(=O)CN[C@H](c1ccccc1C)C(C)(C)C ZINC000639566558 356484689 /nfs/dbraw/zinc/48/46/89/356484689.db2.gz UDOIGHKZNKQLQG-CQSZACIVSA-N 0 3 233.355 3.261 20 0 BGADHN CC(=O)CN[C@@H](c1cccc(C)c1)C(C)(C)C ZINC000639566931 356488921 /nfs/dbraw/zinc/48/89/21/356488921.db2.gz CUNDMQDHFYTXPW-AWEZNQCLSA-N 0 3 233.355 3.261 20 0 BGADHN CC(=O)CN[C@H](c1cccc(C)c1)C(C)(C)C ZINC000639566932 356488911 /nfs/dbraw/zinc/48/89/11/356488911.db2.gz CUNDMQDHFYTXPW-CQSZACIVSA-N 0 3 233.355 3.261 20 0 BGADHN Cc1cc(C)c(CN2CC=C(C)CC2)c(C)n1 ZINC000639569207 356492590 /nfs/dbraw/zinc/49/25/90/356492590.db2.gz UEHMNLUWQIYAGY-UHFFFAOYSA-N 0 3 230.355 3.159 20 0 BGADHN C[C@@H](NCC(=O)c1ccccc1F)C1CCCC1 ZINC000639579191 356499812 /nfs/dbraw/zinc/49/98/12/356499812.db2.gz CKNMVOSRJDCXKT-LLVKDONJSA-N 0 3 249.329 3.177 20 0 BGADHN C[C@H](NCC(=O)c1ccccc1F)C1CCCC1 ZINC000639579193 356499913 /nfs/dbraw/zinc/49/99/13/356499913.db2.gz CKNMVOSRJDCXKT-NSHDSACASA-N 0 3 249.329 3.177 20 0 BGADHN CC(=O)CNC1(Cc2ccccc2)CCCCC1 ZINC000639586884 356505490 /nfs/dbraw/zinc/50/54/90/356505490.db2.gz ALKKHMQKSMRKDD-UHFFFAOYSA-N 0 3 245.366 3.111 20 0 BGADHN Cc1cc(C)c(CN2CCCC3(CC3)C2)c(C)n1 ZINC000639590645 356512875 /nfs/dbraw/zinc/51/28/75/356512875.db2.gz ZDLABRHIOCFQLP-UHFFFAOYSA-N 0 3 244.382 3.383 20 0 BGADHN CC(=O)CN[C@@H](C)C1(c2ccccc2)CCCC1 ZINC000639592451 356509078 /nfs/dbraw/zinc/50/90/78/356509078.db2.gz KMSDUNQUVVHMAY-AWEZNQCLSA-N 0 3 245.366 3.066 20 0 BGADHN CC(=O)CN[C@H](C)C1(c2ccccc2)CCCC1 ZINC000639592454 356509608 /nfs/dbraw/zinc/50/96/08/356509608.db2.gz KMSDUNQUVVHMAY-CQSZACIVSA-N 0 3 245.366 3.066 20 0 BGADHN CC[C@@H](CN(CC)CC(C)=O)c1ccccc1 ZINC000639592860 356509533 /nfs/dbraw/zinc/50/95/33/356509533.db2.gz NPKMJYCLPLPHND-AWEZNQCLSA-N 0 3 233.355 3.091 20 0 BGADHN CC[C@H](CN(CC)CC(C)=O)c1ccccc1 ZINC000639592862 356510426 /nfs/dbraw/zinc/51/04/26/356510426.db2.gz NPKMJYCLPLPHND-CQSZACIVSA-N 0 3 233.355 3.091 20 0 BGADHN CC1(C)CCC[C@@H]1NCC(=O)c1ccccc1F ZINC000639600360 356520379 /nfs/dbraw/zinc/52/03/79/356520379.db2.gz FCMACMYTHZMMGC-AWEZNQCLSA-N 0 3 249.329 3.177 20 0 BGADHN CC1(C)CCC[C@H]1NCC(=O)c1ccccc1F ZINC000639600362 356520218 /nfs/dbraw/zinc/52/02/18/356520218.db2.gz FCMACMYTHZMMGC-CQSZACIVSA-N 0 3 249.329 3.177 20 0 BGADHN Cc1cc(C)c(CN2CCC=C(C)C2)c(C)n1 ZINC000639623324 356541997 /nfs/dbraw/zinc/54/19/97/356541997.db2.gz JDSNQWCKXJPPOM-UHFFFAOYSA-N 0 3 230.355 3.159 20 0 BGADHN CC[C@@H]1CCC[C@H]1NCC(=O)c1ccccc1F ZINC000639632900 356548034 /nfs/dbraw/zinc/54/80/34/356548034.db2.gz JTZDCIMMNLHHGT-BXUZGUMPSA-N 0 3 249.329 3.177 20 0 BGADHN CC[C@H]1CCC[C@@H]1NCC(=O)c1ccccc1F ZINC000639632901 356547507 /nfs/dbraw/zinc/54/75/07/356547507.db2.gz JTZDCIMMNLHHGT-FZMZJTMJSA-N 0 3 249.329 3.177 20 0 BGADHN CC[C@@H]1CCC[C@@H]1NCC(=O)c1ccccc1F ZINC000639632902 356547193 /nfs/dbraw/zinc/54/71/93/356547193.db2.gz JTZDCIMMNLHHGT-RISCZKNCSA-N 0 3 249.329 3.177 20 0 BGADHN CC[C@H]1CCC[C@H]1NCC(=O)c1ccccc1F ZINC000639632903 356547688 /nfs/dbraw/zinc/54/76/88/356547688.db2.gz JTZDCIMMNLHHGT-SMDDNHRTSA-N 0 3 249.329 3.177 20 0 BGADHN CC(=O)CN1C[C@H](C)CC[C@H]1c1ccccc1 ZINC000639640809 356548567 /nfs/dbraw/zinc/54/85/67/356548567.db2.gz FBCWLOXFQIZPDO-DOMZBBRYSA-N 0 3 231.339 3.049 20 0 BGADHN CC(=O)CN1C[C@H](C)CC[C@@H]1c1ccccc1 ZINC000639640811 356548845 /nfs/dbraw/zinc/54/88/45/356548845.db2.gz FBCWLOXFQIZPDO-IUODEOHRSA-N 0 3 231.339 3.049 20 0 BGADHN CC(=O)CN1C[C@@H](C)CC[C@@H]1c1ccccc1 ZINC000639640813 356548413 /nfs/dbraw/zinc/54/84/13/356548413.db2.gz FBCWLOXFQIZPDO-SWLSCSKDSA-N 0 3 231.339 3.049 20 0 BGADHN CC(=O)CN1C[C@@H](C)CC[C@H]1c1ccccc1 ZINC000639640814 356548434 /nfs/dbraw/zinc/54/84/34/356548434.db2.gz FBCWLOXFQIZPDO-WFASDCNBSA-N 0 3 231.339 3.049 20 0 BGADHN CCC1(NCC(=O)c2ccccc2F)CCCC1 ZINC000639659365 356568009 /nfs/dbraw/zinc/56/80/09/356568009.db2.gz OQUSOXJNWFCETJ-UHFFFAOYSA-N 0 3 249.329 3.321 20 0 BGADHN CC(C)=CCN1CCC[C@H](c2cccnc2)C1 ZINC000639696426 356604384 /nfs/dbraw/zinc/60/43/84/356604384.db2.gz JUBTXRIAOBYXHG-HNNXBMFYSA-N 0 3 230.355 3.227 20 0 BGADHN CC(C)=CCN1CCC[C@@H](c2cccnc2)C1 ZINC000639696428 356604611 /nfs/dbraw/zinc/60/46/11/356604611.db2.gz JUBTXRIAOBYXHG-OAHLLOKOSA-N 0 3 230.355 3.227 20 0 BGADHN C[C@@H](NCC(=O)c1ccccc1F)C(C)(C)C ZINC000639723922 356620212 /nfs/dbraw/zinc/62/02/12/356620212.db2.gz YXAOLSFCULGQLV-SNVBAGLBSA-N 0 3 237.318 3.033 20 0 BGADHN Cc1cc(C)c(CN2C[C@@H]3CCCC[C@@H]32)c(C)n1 ZINC000639749594 356644316 /nfs/dbraw/zinc/64/43/16/356644316.db2.gz ILZCEZBALIGUAI-HOCLYGCPSA-N 0 3 244.382 3.381 20 0 BGADHN c1n[nH]cc1[C@@H]1CCCN1CCCC1CCC1 ZINC000639776398 356718261 /nfs/dbraw/zinc/71/82/61/356718261.db2.gz MINREFSYUIQEOP-AWEZNQCLSA-N 0 3 233.359 3.127 20 0 BGADHN c1n[nH]cc1[C@H]1CCCN1CCCC1CCC1 ZINC000639776399 356718552 /nfs/dbraw/zinc/71/85/52/356718552.db2.gz MINREFSYUIQEOP-CQSZACIVSA-N 0 3 233.359 3.127 20 0 BGADHN Cc1ccccc1CN1CCC[C@H]1c1cn[nH]c1 ZINC000639779740 356727422 /nfs/dbraw/zinc/72/74/22/356727422.db2.gz CAKOVBSFOXCDHP-HNNXBMFYSA-N 0 3 241.338 3.055 20 0 BGADHN Cc1ccccc1CN1CCC[C@@H]1c1cn[nH]c1 ZINC000639779741 356727150 /nfs/dbraw/zinc/72/71/50/356727150.db2.gz CAKOVBSFOXCDHP-OAHLLOKOSA-N 0 3 241.338 3.055 20 0 BGADHN Cc1cccc(CN2CCC[C@H]2c2cn[nH]c2)c1 ZINC000639779799 356726004 /nfs/dbraw/zinc/72/60/04/356726004.db2.gz DAMKMGPZARTAPO-HNNXBMFYSA-N 0 3 241.338 3.055 20 0 BGADHN Cc1cccc(CN2CCC[C@@H]2c2cn[nH]c2)c1 ZINC000639779800 356725791 /nfs/dbraw/zinc/72/57/91/356725791.db2.gz DAMKMGPZARTAPO-OAHLLOKOSA-N 0 3 241.338 3.055 20 0 BGADHN Cc1ccc(CN2CCC[C@H]2c2cn[nH]c2)cc1 ZINC000639779921 356728650 /nfs/dbraw/zinc/72/86/50/356728650.db2.gz BJYYOFNNVFNNNX-HNNXBMFYSA-N 0 3 241.338 3.055 20 0 BGADHN Cc1ccc(CN2CCC[C@@H]2c2cn[nH]c2)cc1 ZINC000639779922 356728236 /nfs/dbraw/zinc/72/82/36/356728236.db2.gz BJYYOFNNVFNNNX-OAHLLOKOSA-N 0 3 241.338 3.055 20 0 BGADHN CC(=O)CN1CCC[C@H]1c1c(C)cccc1C ZINC000639783722 356735035 /nfs/dbraw/zinc/73/50/35/356735035.db2.gz CIRFHNICWYWIDZ-AWEZNQCLSA-N 0 3 231.339 3.029 20 0 BGADHN CC(=O)CN1CCC[C@@H]1c1c(C)cccc1C ZINC000639783723 356735086 /nfs/dbraw/zinc/73/50/86/356735086.db2.gz CIRFHNICWYWIDZ-CQSZACIVSA-N 0 3 231.339 3.029 20 0 BGADHN CC[C@H](CC(F)F)CN(C)Cc1ccns1 ZINC000639805335 356774616 /nfs/dbraw/zinc/77/46/16/356774616.db2.gz BYPHLCFXOMLHPM-SECBINFHSA-N 0 3 248.342 3.256 20 0 BGADHN CC[C@@H](CC(F)F)CN(C)Cc1ccns1 ZINC000639805338 356774587 /nfs/dbraw/zinc/77/45/87/356774587.db2.gz BYPHLCFXOMLHPM-VIFPVBQESA-N 0 3 248.342 3.256 20 0 BGADHN CN(Cc1ccns1)C[C@@H]1CCC(F)(F)C1 ZINC000639807564 356780147 /nfs/dbraw/zinc/78/01/47/356780147.db2.gz JFOKBZZLRYTSOZ-SECBINFHSA-N 0 3 246.326 3.010 20 0 BGADHN CN(Cc1ccns1)C[C@H]1CCC(F)(F)C1 ZINC000639807565 356780035 /nfs/dbraw/zinc/78/00/35/356780035.db2.gz JFOKBZZLRYTSOZ-VIFPVBQESA-N 0 3 246.326 3.010 20 0 BGADHN CCC(CC)CN(C)Cc1ccns1 ZINC000639807588 356777132 /nfs/dbraw/zinc/77/71/32/356777132.db2.gz JKRYMRAAJWNAEN-UHFFFAOYSA-N 0 3 212.362 3.011 20 0 BGADHN CN(Cc1ccns1)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000639809295 356782922 /nfs/dbraw/zinc/78/29/22/356782922.db2.gz RFUWOEBPOGUALP-GRYCIOLGSA-N 0 3 236.384 3.011 20 0 BGADHN CN(Cc1ccns1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000639809299 356783101 /nfs/dbraw/zinc/78/31/01/356783101.db2.gz RFUWOEBPOGUALP-UTUOFQBUSA-N 0 3 236.384 3.011 20 0 BGADHN CN(Cc1ccns1)CC1CC(C)(C)C1 ZINC000639810777 356789200 /nfs/dbraw/zinc/78/92/00/356789200.db2.gz ZVQXJVJHULKGPR-UHFFFAOYSA-N 0 3 224.373 3.011 20 0 BGADHN CC[C@@H]1CC[C@@H](C)N(Cc2ccns2)C1 ZINC000639827254 356809300 /nfs/dbraw/zinc/80/93/00/356809300.db2.gz LJHMRJLSRSCZQV-GHMZBOCLSA-N 0 3 224.373 3.154 20 0 BGADHN c1cnc([C@@H]2CCCN2CC2CCCCC2)nc1 ZINC000639841420 356834807 /nfs/dbraw/zinc/83/48/07/356834807.db2.gz UZWUWLGPBORYQC-AWEZNQCLSA-N 0 3 245.370 3.194 20 0 BGADHN c1cnc([C@H]2CCCN2CC2CCCCC2)nc1 ZINC000639841421 356834738 /nfs/dbraw/zinc/83/47/38/356834738.db2.gz UZWUWLGPBORYQC-CQSZACIVSA-N 0 3 245.370 3.194 20 0 BGADHN CC(C)(C)CCN1CCC[C@@H]1c1ncccn1 ZINC000639843088 356836398 /nfs/dbraw/zinc/83/63/98/356836398.db2.gz MKUXNDJPDHHYSO-GFCCVEGCSA-N 0 3 233.359 3.050 20 0 BGADHN CC(C)(C)CCN1CCC[C@H]1c1ncccn1 ZINC000639843089 356836281 /nfs/dbraw/zinc/83/62/81/356836281.db2.gz MKUXNDJPDHHYSO-LBPRGKRZSA-N 0 3 233.359 3.050 20 0 BGADHN CCC(C)(C)CCN1CCC[C@@H]1c1ncccn1 ZINC000639844122 356839267 /nfs/dbraw/zinc/83/92/67/356839267.db2.gz XDFSCZLVYJSUBD-CYBMUJFWSA-N 0 3 247.386 3.440 20 0 BGADHN CCC(C)(C)CCN1CCC[C@H]1c1ncccn1 ZINC000639844123 356839339 /nfs/dbraw/zinc/83/93/39/356839339.db2.gz XDFSCZLVYJSUBD-ZDUSSCGKSA-N 0 3 247.386 3.440 20 0 BGADHN c1cnc([C@@H]2CCCN2CCC2CCCC2)nc1 ZINC000639844211 356839231 /nfs/dbraw/zinc/83/92/31/356839231.db2.gz YDEAEODURCDHLF-AWEZNQCLSA-N 0 3 245.370 3.194 20 0 BGADHN c1cnc([C@H]2CCCN2CCC2CCCC2)nc1 ZINC000639844212 356839360 /nfs/dbraw/zinc/83/93/60/356839360.db2.gz YDEAEODURCDHLF-CQSZACIVSA-N 0 3 245.370 3.194 20 0 BGADHN CC[C@@H](c1ccccc1)N(CC(C)=O)C(C)C ZINC000639863484 356871900 /nfs/dbraw/zinc/87/19/00/356871900.db2.gz KYYIDACEBPGNFQ-HNNXBMFYSA-N 0 3 233.355 3.437 20 0 BGADHN CC[C@H](c1ccccc1)N(CC(C)=O)C(C)C ZINC000639863485 356871928 /nfs/dbraw/zinc/87/19/28/356871928.db2.gz KYYIDACEBPGNFQ-OAHLLOKOSA-N 0 3 233.355 3.437 20 0 BGADHN CC[C@@H]1CCC[C@H](C)N1Cc1ccns1 ZINC000639864970 356955469 /nfs/dbraw/zinc/95/54/69/356955469.db2.gz LLUICBMKHBGVRX-WDEREUQCSA-N 0 3 224.373 3.296 20 0 BGADHN CC(C)=CCN1CCC(c2ccc(F)cn2)CC1 ZINC000639868362 357006541 /nfs/dbraw/zinc/00/65/41/357006541.db2.gz DASSDVUACLJUJC-UHFFFAOYSA-N 0 3 248.345 3.366 20 0 BGADHN CC1(C)CC(CN2CCC[C@@H]2c2ncccn2)C1 ZINC000639871665 357028291 /nfs/dbraw/zinc/02/82/91/357028291.db2.gz PQNRZUZFPYXTRJ-CYBMUJFWSA-N 0 3 245.370 3.050 20 0 BGADHN CC1(C)CC(CN2CCC[C@H]2c2ncccn2)C1 ZINC000639871667 357027998 /nfs/dbraw/zinc/02/79/98/357027998.db2.gz PQNRZUZFPYXTRJ-ZDUSSCGKSA-N 0 3 245.370 3.050 20 0 BGADHN CC(C)C[C@H](C)CN1CCC[C@H]1c1ncccn1 ZINC000639874181 357052660 /nfs/dbraw/zinc/05/26/60/357052660.db2.gz XDPSEUNKTGOWGA-KBPBESRZSA-N 0 3 247.386 3.296 20 0 BGADHN CC(C)C[C@@H](C)CN1CCC[C@H]1c1ncccn1 ZINC000639874182 357053160 /nfs/dbraw/zinc/05/31/60/357053160.db2.gz XDPSEUNKTGOWGA-KGLIPLIRSA-N 0 3 247.386 3.296 20 0 BGADHN CC(C)C[C@H](C)CN1CCC[C@@H]1c1ncccn1 ZINC000639874183 357052769 /nfs/dbraw/zinc/05/27/69/357052769.db2.gz XDPSEUNKTGOWGA-UONOGXRCSA-N 0 3 247.386 3.296 20 0 BGADHN CC(C)C[C@@H](C)CN1CCC[C@@H]1c1ncccn1 ZINC000639874184 357052605 /nfs/dbraw/zinc/05/26/05/357052605.db2.gz XDPSEUNKTGOWGA-ZIAGYGMSSA-N 0 3 247.386 3.296 20 0 BGADHN CCC(CC)CN1CCC[C@@H]1c1ncccn1 ZINC000639874187 357053234 /nfs/dbraw/zinc/05/32/34/357053234.db2.gz XJYZOQPBKPHQIP-CYBMUJFWSA-N 0 3 233.359 3.050 20 0 BGADHN CCC(CC)CN1CCC[C@H]1c1ncccn1 ZINC000639874188 357052949 /nfs/dbraw/zinc/05/29/49/357052949.db2.gz XJYZOQPBKPHQIP-ZDUSSCGKSA-N 0 3 233.359 3.050 20 0 BGADHN c1cc(CN2CCC[C@@H]3CCCC[C@@H]32)sn1 ZINC000639877847 357082363 /nfs/dbraw/zinc/08/23/63/357082363.db2.gz HEPGONBWJVYTFR-AAEUAGOBSA-N 0 3 236.384 3.298 20 0 BGADHN Cc1nccnc1CN1CC(C)(C)CCC1(C)C ZINC000639890764 357210400 /nfs/dbraw/zinc/21/04/00/357210400.db2.gz UIUHBKHRMGMPSX-UHFFFAOYSA-N 0 3 247.386 3.186 20 0 BGADHN Cc1cc(C)c(CN(C2CC2)C2CC2)c(C)n1 ZINC000639892046 357214410 /nfs/dbraw/zinc/21/44/10/357214410.db2.gz DTCQFFRSUFCEDC-UHFFFAOYSA-N 0 3 230.355 3.134 20 0 BGADHN c1ccc([C@@H]2OCC[C@H]2N[C@@H]2C=CCCC2)cc1 ZINC000639904901 357384133 /nfs/dbraw/zinc/38/41/33/357384133.db2.gz IAYCRIHGNQYOKJ-OAGGEKHMSA-N 0 3 243.350 3.215 20 0 BGADHN C1=C(CN[C@@H]2CCO[C@H]2c2ccccc2)CCC1 ZINC000639906337 357400868 /nfs/dbraw/zinc/40/08/68/357400868.db2.gz HTBQQJBVCWSSEZ-CVEARBPZSA-N 0 3 243.350 3.217 20 0 BGADHN CCn1nc(C)c(CN(C)[C@H]2C=CCCC2)c1C ZINC000639922566 357684314 /nfs/dbraw/zinc/68/43/14/357684314.db2.gz JFUYKIZRCXHJKJ-AWEZNQCLSA-N 0 3 247.386 3.060 20 0 BGADHN CCn1nc(C)c(CN(C)[C@@H]2C=CCCC2)c1C ZINC000639922567 357685538 /nfs/dbraw/zinc/68/55/38/357685538.db2.gz JFUYKIZRCXHJKJ-CQSZACIVSA-N 0 3 247.386 3.060 20 0 BGADHN CCCCCN(C)Cc1c(C)nn(CC)c1C ZINC000639923104 357709757 /nfs/dbraw/zinc/70/97/57/357709757.db2.gz PKWPOTKQUNNZOO-UHFFFAOYSA-N 0 3 237.391 3.142 20 0 BGADHN CC/C=C/CCN(C)Cc1c(C)nn(CC)c1C ZINC000639923215 357712184 /nfs/dbraw/zinc/71/21/84/357712184.db2.gz NEEVSKWUQWHIMU-CMDGGOBGSA-N 0 3 249.402 3.308 20 0 BGADHN CC/C=C\CCN(C)Cc1c(C)nn(CC)c1C ZINC000639923219 357711660 /nfs/dbraw/zinc/71/16/60/357711660.db2.gz NEEVSKWUQWHIMU-HJWRWDBZSA-N 0 3 249.402 3.308 20 0 BGADHN CCn1nc(C)c(CN(C)CCC=C(C)C)c1C ZINC000639925421 357821839 /nfs/dbraw/zinc/82/18/39/357821839.db2.gz YBQNYFNSEUODMR-UHFFFAOYSA-N 0 3 249.402 3.308 20 0 BGADHN CCn1nc(C)c(CN(C)CCC2CCC2)c1C ZINC000639925469 357834478 /nfs/dbraw/zinc/83/44/78/357834478.db2.gz ZFVFQWQKERWAIW-UHFFFAOYSA-N 0 3 249.402 3.142 20 0 BGADHN CC(C)CN1CC(C)(C)[C@H]1c1ccco1 ZINC000639925935 357833545 /nfs/dbraw/zinc/83/35/45/357833545.db2.gz GDFWAVIMXNWFSS-GFCCVEGCSA-N 0 3 207.317 3.319 20 0 BGADHN CC(C)CN1CC(C)(C)[C@@H]1c1ccco1 ZINC000639925936 357833612 /nfs/dbraw/zinc/83/36/12/357833612.db2.gz GDFWAVIMXNWFSS-LBPRGKRZSA-N 0 3 207.317 3.319 20 0 BGADHN CC1(C)CN(CC2CC2)[C@@H]1c1ccco1 ZINC000639926360 357845305 /nfs/dbraw/zinc/84/53/05/357845305.db2.gz LVWLIXFRZJZXDL-GFCCVEGCSA-N 0 3 205.301 3.073 20 0 BGADHN CC1(C)CN(CC2CC2)[C@H]1c1ccco1 ZINC000639926361 357845156 /nfs/dbraw/zinc/84/51/56/357845156.db2.gz LVWLIXFRZJZXDL-LBPRGKRZSA-N 0 3 205.301 3.073 20 0 BGADHN CCOCCN[C@@](C)(CC)c1ccc(F)cc1 ZINC000639926784 357857910 /nfs/dbraw/zinc/85/79/10/357857910.db2.gz BKRKPFAPPWPJRG-AWEZNQCLSA-N 0 3 239.334 3.077 20 0 BGADHN CCOCCN[C@](C)(CC)c1ccc(F)cc1 ZINC000639926788 357857871 /nfs/dbraw/zinc/85/78/71/357857871.db2.gz BKRKPFAPPWPJRG-CQSZACIVSA-N 0 3 239.334 3.077 20 0 BGADHN CC1(C)CN(CC2CCOCC2)[C@H]1c1ccco1 ZINC000639927482 357861790 /nfs/dbraw/zinc/86/17/90/357861790.db2.gz SHTIDGUIJKDTGQ-AWEZNQCLSA-N 0 3 249.354 3.089 20 0 BGADHN CC1(C)CN(CC2CCOCC2)[C@@H]1c1ccco1 ZINC000639927483 357861909 /nfs/dbraw/zinc/86/19/09/357861909.db2.gz SHTIDGUIJKDTGQ-CQSZACIVSA-N 0 3 249.354 3.089 20 0 BGADHN CC1(C)CN(CC[C@@H]2CCCO2)[C@@H]1c1ccco1 ZINC000639927550 357862811 /nfs/dbraw/zinc/86/28/11/357862811.db2.gz FUPGHOAXPFCQET-GXTWGEPZSA-N 0 3 249.354 3.232 20 0 BGADHN CC1(C)CN(CC[C@@H]2CCCO2)[C@H]1c1ccco1 ZINC000639927552 357862800 /nfs/dbraw/zinc/86/28/00/357862800.db2.gz FUPGHOAXPFCQET-JSGCOSHPSA-N 0 3 249.354 3.232 20 0 BGADHN CC1(C)CN(CC[C@H]2CCCO2)[C@H]1c1ccco1 ZINC000639927554 357863452 /nfs/dbraw/zinc/86/34/52/357863452.db2.gz FUPGHOAXPFCQET-OCCSQVGLSA-N 0 3 249.354 3.232 20 0 BGADHN CC1(C)CN(CC[C@H]2CCCO2)[C@@H]1c1ccco1 ZINC000639927556 357863555 /nfs/dbraw/zinc/86/35/55/357863555.db2.gz FUPGHOAXPFCQET-TZMCWYRMSA-N 0 3 249.354 3.232 20 0 BGADHN COCCCCN1CC(C)(C)[C@H]1c1ccco1 ZINC000639928410 357879275 /nfs/dbraw/zinc/87/92/75/357879275.db2.gz XKEVSCDCRIAZDM-CYBMUJFWSA-N 0 3 237.343 3.089 20 0 BGADHN COCCCCN1CC(C)(C)[C@@H]1c1ccco1 ZINC000639928411 357879446 /nfs/dbraw/zinc/87/94/46/357879446.db2.gz XKEVSCDCRIAZDM-ZDUSSCGKSA-N 0 3 237.343 3.089 20 0 BGADHN CC1(C)CN(C[C@@H]2CCCOC2)[C@@H]1c1ccco1 ZINC000639928737 357884461 /nfs/dbraw/zinc/88/44/61/357884461.db2.gz ZOOHMDCEKKUYNK-GXTWGEPZSA-N 0 3 249.354 3.089 20 0 BGADHN CC1(C)CN(C[C@@H]2CCCOC2)[C@H]1c1ccco1 ZINC000639928740 357885743 /nfs/dbraw/zinc/88/57/43/357885743.db2.gz ZOOHMDCEKKUYNK-JSGCOSHPSA-N 0 3 249.354 3.089 20 0 BGADHN CC1(C)CN(C[C@H]2CCCOC2)[C@H]1c1ccco1 ZINC000639928746 357885393 /nfs/dbraw/zinc/88/53/93/357885393.db2.gz ZOOHMDCEKKUYNK-OCCSQVGLSA-N 0 3 249.354 3.089 20 0 BGADHN CC1(C)CN(C[C@H]2CCCOC2)[C@@H]1c1ccco1 ZINC000639928751 357885611 /nfs/dbraw/zinc/88/56/11/357885611.db2.gz ZOOHMDCEKKUYNK-TZMCWYRMSA-N 0 3 249.354 3.089 20 0 BGADHN CC[C@@](C)(NCCF)c1ccc(F)cc1 ZINC000639929160 357905003 /nfs/dbraw/zinc/90/50/03/357905003.db2.gz SAIKQKZHLREEBT-GFCCVEGCSA-N 0 3 213.271 3.010 20 0 BGADHN CC[C@](C)(NCCF)c1ccc(F)cc1 ZINC000639929161 357905033 /nfs/dbraw/zinc/90/50/33/357905033.db2.gz SAIKQKZHLREEBT-LBPRGKRZSA-N 0 3 213.271 3.010 20 0 BGADHN CO[C@@H](CN1CC(C)(C)[C@@H]1c1ccco1)C1CC1 ZINC000639929244 357905809 /nfs/dbraw/zinc/90/58/09/357905809.db2.gz MTZFBUFYKDVUPE-KBPBESRZSA-N 0 3 249.354 3.088 20 0 BGADHN CO[C@H](CN1CC(C)(C)[C@@H]1c1ccco1)C1CC1 ZINC000639929245 357905855 /nfs/dbraw/zinc/90/58/55/357905855.db2.gz MTZFBUFYKDVUPE-KGLIPLIRSA-N 0 3 249.354 3.088 20 0 BGADHN CO[C@@H](CN1CC(C)(C)[C@H]1c1ccco1)C1CC1 ZINC000639929247 357905861 /nfs/dbraw/zinc/90/58/61/357905861.db2.gz MTZFBUFYKDVUPE-UONOGXRCSA-N 0 3 249.354 3.088 20 0 BGADHN CO[C@H](CN1CC(C)(C)[C@H]1c1ccco1)C1CC1 ZINC000639929248 357905925 /nfs/dbraw/zinc/90/59/25/357905925.db2.gz MTZFBUFYKDVUPE-ZIAGYGMSSA-N 0 3 249.354 3.088 20 0 BGADHN C[C@@H]1OCC[C@H]1CN1CC(C)(C)[C@@H]1c1ccco1 ZINC000639929553 357891408 /nfs/dbraw/zinc/89/14/08/357891408.db2.gz NSXFGRYWTHNRHE-OBJOEFQTSA-N 0 3 249.354 3.088 20 0 BGADHN C[C@@H]1OCC[C@@H]1CN1CC(C)(C)[C@H]1c1ccco1 ZINC000639929555 357891889 /nfs/dbraw/zinc/89/18/89/357891889.db2.gz NSXFGRYWTHNRHE-OUCADQQQSA-N 0 3 249.354 3.088 20 0 BGADHN C[C@@H]1OCC[C@@H]1CN1CC(C)(C)[C@@H]1c1ccco1 ZINC000639929556 357892069 /nfs/dbraw/zinc/89/20/69/357892069.db2.gz NSXFGRYWTHNRHE-SCRDCRAPSA-N 0 3 249.354 3.088 20 0 BGADHN C[C@@H]1OCC[C@H]1CN1CC(C)(C)[C@H]1c1ccco1 ZINC000639929557 357891449 /nfs/dbraw/zinc/89/14/49/357891449.db2.gz NSXFGRYWTHNRHE-SGMGOOAPSA-N 0 3 249.354 3.088 20 0 BGADHN CC(C)c1cccc(CN2CC[C@@H](O)C[C@H]2C)c1 ZINC000639938355 357948048 /nfs/dbraw/zinc/94/80/48/357948048.db2.gz UQKILFYVBXCVEV-CZUORRHYSA-N 0 3 247.382 3.155 20 0 BGADHN Cc1n[nH]cc1CN(C)[C@H]1C=CCCCCC1 ZINC000639970435 358022706 /nfs/dbraw/zinc/02/27/06/358022706.db2.gz FYPHTAHZOSNGQB-AWEZNQCLSA-N 0 3 233.359 3.039 20 0 BGADHN Cc1n[nH]cc1CN(C)[C@@H]1C=CCCCCC1 ZINC000639970436 358022510 /nfs/dbraw/zinc/02/25/10/358022510.db2.gz FYPHTAHZOSNGQB-CQSZACIVSA-N 0 3 233.359 3.039 20 0 BGADHN Cc1n[nH]cc1CN(C)CCC1=CCCCC1 ZINC000639970772 358024655 /nfs/dbraw/zinc/02/46/55/358024655.db2.gz KCDQSRYHKPRQLJ-UHFFFAOYSA-N 0 3 233.359 3.040 20 0 BGADHN Cc1n[nH]cc1CN(C)CCCC1CCCC1 ZINC000639971330 358030282 /nfs/dbraw/zinc/03/02/82/358030282.db2.gz ZVBIMMWRKMNVDF-UHFFFAOYSA-N 0 3 235.375 3.120 20 0 BGADHN CCCN1CCC(Oc2ccccc2F)CC1 ZINC000639978044 358032618 /nfs/dbraw/zinc/03/26/18/358032618.db2.gz GAGNMQUJDAJEBP-UHFFFAOYSA-N 0 3 237.318 3.079 20 0 BGADHN C[C@H](c1ccncc1)N1CCC(CCF)CC1 ZINC000639988194 358027570 /nfs/dbraw/zinc/02/75/70/358027570.db2.gz ARSBJVWUQYOLIO-GFCCVEGCSA-N 0 3 236.334 3.214 20 0 BGADHN C[C@@H](c1ccncc1)N1CCC(CCF)CC1 ZINC000639988195 358027894 /nfs/dbraw/zinc/02/78/94/358027894.db2.gz ARSBJVWUQYOLIO-LBPRGKRZSA-N 0 3 236.334 3.214 20 0 BGADHN C[C@H](c1cccnc1)N1CCC(CCF)CC1 ZINC000639988424 358028096 /nfs/dbraw/zinc/02/80/96/358028096.db2.gz DFWUJZINYKCSBX-GFCCVEGCSA-N 0 3 236.334 3.214 20 0 BGADHN C[C@@H](c1cccnc1)N1CCC(CCF)CC1 ZINC000639988425 358028123 /nfs/dbraw/zinc/02/81/23/358028123.db2.gz DFWUJZINYKCSBX-LBPRGKRZSA-N 0 3 236.334 3.214 20 0 BGADHN FCCC1CCN(CCC(F)(F)F)CC1 ZINC000639988948 358027784 /nfs/dbraw/zinc/02/77/84/358027784.db2.gz OUWAKPZTCXVHPC-UHFFFAOYSA-N 0 3 227.245 3.010 20 0 BGADHN C[C@H](c1ccccn1)N1CCC(CCF)CC1 ZINC000639990352 358037464 /nfs/dbraw/zinc/03/74/64/358037464.db2.gz WZQWLJFPZHIIJG-GFCCVEGCSA-N 0 3 236.334 3.214 20 0 BGADHN C[C@@H](c1ccccn1)N1CCC(CCF)CC1 ZINC000639990353 358037493 /nfs/dbraw/zinc/03/74/93/358037493.db2.gz WZQWLJFPZHIIJG-LBPRGKRZSA-N 0 3 236.334 3.214 20 0 BGADHN CC/C=C/CCN[C@H](C)c1cnc(C)s1 ZINC000639996012 358034035 /nfs/dbraw/zinc/03/40/35/358034035.db2.gz TYFRZDQXOBVJML-BRAIEQGRSA-N 0 3 224.373 3.458 20 0 BGADHN CC/C=C\CCN[C@@H](C)c1cnc(C)s1 ZINC000639996014 358034423 /nfs/dbraw/zinc/03/44/23/358034423.db2.gz TYFRZDQXOBVJML-OMMCCPJFSA-N 0 3 224.373 3.458 20 0 BGADHN CC/C=C/CCN[C@@H](C)c1cnc(C)s1 ZINC000639996015 358033822 /nfs/dbraw/zinc/03/38/22/358033822.db2.gz TYFRZDQXOBVJML-PORFMDCZSA-N 0 3 224.373 3.458 20 0 BGADHN CC/C=C\CCN[C@H](C)c1cnc(C)s1 ZINC000639996016 358033941 /nfs/dbraw/zinc/03/39/41/358033941.db2.gz TYFRZDQXOBVJML-WWQCOOJYSA-N 0 3 224.373 3.458 20 0 BGADHN FC(F)(F)[C@@H]1CCCN(CC2=CCCC2)C1 ZINC000640068725 358155434 /nfs/dbraw/zinc/15/54/34/358155434.db2.gz HYTKUBXFLHFEGA-LLVKDONJSA-N 0 3 233.277 3.371 20 0 BGADHN Cc1ccc(CN2CCC(C)(F)CC2)c(C)n1 ZINC000640071213 358156851 /nfs/dbraw/zinc/15/68/51/358156851.db2.gz FQXQYTFXBPHWCA-UHFFFAOYSA-N 0 3 236.334 3.022 20 0 BGADHN CC1(F)CCN(CCC(=O)c2ccccc2)CC1 ZINC000640071260 358154496 /nfs/dbraw/zinc/15/44/96/358154496.db2.gz HIMVUSHVAZKAJX-UHFFFAOYSA-N 0 3 249.329 3.083 20 0 BGADHN Cc1nsc(C)c1CN1CCC(C)(F)CC1 ZINC000640072209 358165361 /nfs/dbraw/zinc/16/53/61/358165361.db2.gz WUBIIJOQRYNBRB-UHFFFAOYSA-N 0 3 242.363 3.084 20 0 BGADHN CC1(F)CCN([C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000640072263 358168610 /nfs/dbraw/zinc/16/86/10/358168610.db2.gz XSZGQXKUPQFSEP-ZIAGYGMSSA-N 0 3 233.330 3.367 20 0 BGADHN c1cc(CN2CCC[C@@H](C3CCC3)CC2)on1 ZINC000640105122 358196428 /nfs/dbraw/zinc/19/64/28/358196428.db2.gz ANBCBOBZIAKIQM-CYBMUJFWSA-N 0 3 234.343 3.077 20 0 BGADHN c1cc(CN2CCC[C@H](C3CCC3)CC2)on1 ZINC000640105125 358195978 /nfs/dbraw/zinc/19/59/78/358195978.db2.gz ANBCBOBZIAKIQM-ZDUSSCGKSA-N 0 3 234.343 3.077 20 0 BGADHN FC[C@@H](NCCC1CC1)c1ccc(F)cc1 ZINC000640151923 358426479 /nfs/dbraw/zinc/42/64/79/358426479.db2.gz AEOBDLDFYBZAKR-CYBMUJFWSA-N 0 3 225.282 3.226 20 0 BGADHN FC[C@H](NCCC1CC1)c1ccc(F)cc1 ZINC000640151924 358427023 /nfs/dbraw/zinc/42/70/23/358427023.db2.gz AEOBDLDFYBZAKR-ZDUSSCGKSA-N 0 3 225.282 3.226 20 0 BGADHN CCCCN[C@H](CF)c1ccc(F)cc1 ZINC000640152905 358430938 /nfs/dbraw/zinc/43/09/38/358430938.db2.gz ICUBSLMMRSEIKE-GFCCVEGCSA-N 0 3 213.271 3.226 20 0 BGADHN CCCCN[C@@H](CF)c1ccc(F)cc1 ZINC000640152906 358430932 /nfs/dbraw/zinc/43/09/32/358430932.db2.gz ICUBSLMMRSEIKE-LBPRGKRZSA-N 0 3 213.271 3.226 20 0 BGADHN FC[C@@H](NCC1CCC1)c1ccc(F)cc1 ZINC000640152986 358431254 /nfs/dbraw/zinc/43/12/54/358431254.db2.gz JTFRHZSDVUGKBX-CYBMUJFWSA-N 0 3 225.282 3.226 20 0 BGADHN FC[C@H](NCC1CCC1)c1ccc(F)cc1 ZINC000640152987 358431555 /nfs/dbraw/zinc/43/15/55/358431555.db2.gz JTFRHZSDVUGKBX-ZDUSSCGKSA-N 0 3 225.282 3.226 20 0 BGADHN FCCCCN[C@H](CF)c1ccc(F)cc1 ZINC000640154380 358437231 /nfs/dbraw/zinc/43/72/31/358437231.db2.gz GDXBGMVACJECIT-GFCCVEGCSA-N 0 3 231.261 3.176 20 0 BGADHN FCCCCN[C@@H](CF)c1ccc(F)cc1 ZINC000640154381 358437287 /nfs/dbraw/zinc/43/72/87/358437287.db2.gz GDXBGMVACJECIT-LBPRGKRZSA-N 0 3 231.261 3.176 20 0 BGADHN FC[C@H](NCC1CC=CC1)c1ccc(F)cc1 ZINC000640155285 358438973 /nfs/dbraw/zinc/43/89/73/358438973.db2.gz SJSZGEDYLNAOIE-AWEZNQCLSA-N 0 3 237.293 3.392 20 0 BGADHN FC[C@@H](NCC1CC=CC1)c1ccc(F)cc1 ZINC000640155286 358439087 /nfs/dbraw/zinc/43/90/87/358439087.db2.gz SJSZGEDYLNAOIE-CQSZACIVSA-N 0 3 237.293 3.392 20 0 BGADHN C[C@@]1(C2CCCCC2)CCN1Cc1ccno1 ZINC000640218363 358872860 /nfs/dbraw/zinc/87/28/60/358872860.db2.gz GGOJOWVWERRRDR-AWEZNQCLSA-N 0 3 234.343 3.219 20 0 BGADHN C[C@]1(C2CCCCC2)CCN1Cc1ccno1 ZINC000640218364 358872434 /nfs/dbraw/zinc/87/24/34/358872434.db2.gz GGOJOWVWERRRDR-CQSZACIVSA-N 0 3 234.343 3.219 20 0 BGADHN c1cc2n(n1)CCC[C@@H]2N[C@H]1C=CCCCCC1 ZINC000640219957 358878451 /nfs/dbraw/zinc/87/84/51/358878451.db2.gz JFFLJSANYFLPRP-KBPBESRZSA-N 0 3 245.370 3.197 20 0 BGADHN c1cc2n(n1)CCC[C@@H]2N[C@@H]1C=CCCCCC1 ZINC000640219960 358878346 /nfs/dbraw/zinc/87/83/46/358878346.db2.gz JFFLJSANYFLPRP-KGLIPLIRSA-N 0 3 245.370 3.197 20 0 BGADHN c1cc2n(n1)CCC[C@H]2N[C@H]1C=CCCCCC1 ZINC000640219962 358878366 /nfs/dbraw/zinc/87/83/66/358878366.db2.gz JFFLJSANYFLPRP-UONOGXRCSA-N 0 3 245.370 3.197 20 0 BGADHN c1cc2n(n1)CCC[C@H]2N[C@@H]1C=CCCCCC1 ZINC000640219963 358879852 /nfs/dbraw/zinc/87/98/52/358879852.db2.gz JFFLJSANYFLPRP-ZIAGYGMSSA-N 0 3 245.370 3.197 20 0 BGADHN Cc1cc(CN(C)C[C@@H](C)C(C)(C)C)nc(C)n1 ZINC000640348426 361069279 /nfs/dbraw/zinc/06/92/79/361069279.db2.gz PRMMQNDSUSXRRZ-LLVKDONJSA-N 0 3 249.402 3.207 20 0 BGADHN Cc1cc(CN(C)C[C@H](C)C(C)(C)C)nc(C)n1 ZINC000640348427 361069079 /nfs/dbraw/zinc/06/90/79/361069079.db2.gz PRMMQNDSUSXRRZ-NSHDSACASA-N 0 3 249.402 3.207 20 0 BGADHN Cc1cnc([C@H](C)N(C)C[C@H](C)C(C)(C)C)cn1 ZINC000640348721 361070215 /nfs/dbraw/zinc/07/02/15/361070215.db2.gz RNVNGCVKKUYVSU-AAEUAGOBSA-N 0 3 249.402 3.460 20 0 BGADHN Cc1cnc([C@@H](C)N(C)C[C@@H](C)C(C)(C)C)cn1 ZINC000640348726 361070025 /nfs/dbraw/zinc/07/00/25/361070025.db2.gz RNVNGCVKKUYVSU-DGCLKSJQSA-N 0 3 249.402 3.460 20 0 BGADHN Cc1cnc([C@@H](C)N(C)C[C@H](C)C(C)(C)C)cn1 ZINC000640348727 361070375 /nfs/dbraw/zinc/07/03/75/361070375.db2.gz RNVNGCVKKUYVSU-WCQYABFASA-N 0 3 249.402 3.460 20 0 BGADHN Cc1cnc([C@H](C)N(C)C[C@@H](C)C(C)(C)C)cn1 ZINC000640348728 361070030 /nfs/dbraw/zinc/07/00/30/361070030.db2.gz RNVNGCVKKUYVSU-YPMHNXCESA-N 0 3 249.402 3.460 20 0 BGADHN C[C@H](CN(C)[C@@H](C)c1cnccn1)C(C)(C)C ZINC000640350063 361074652 /nfs/dbraw/zinc/07/46/52/361074652.db2.gz KXLPRPDKGNNJGO-NEPJUHHUSA-N 0 3 235.375 3.152 20 0 BGADHN C[C@@H](CN(C)[C@H](C)c1cnccn1)C(C)(C)C ZINC000640350064 361074162 /nfs/dbraw/zinc/07/41/62/361074162.db2.gz KXLPRPDKGNNJGO-NWDGAFQWSA-N 0 3 235.375 3.152 20 0 BGADHN C[C@@H](CN(C)[C@@H](C)c1cnccn1)C(C)(C)C ZINC000640350065 361074375 /nfs/dbraw/zinc/07/43/75/361074375.db2.gz KXLPRPDKGNNJGO-RYUDHWBXSA-N 0 3 235.375 3.152 20 0 BGADHN C[C@H](c1cnccn1)N(C)C[C@@H](C)C(C)(C)C ZINC000640350066 361074232 /nfs/dbraw/zinc/07/42/32/361074232.db2.gz KXLPRPDKGNNJGO-VXGBXAGGSA-N 0 3 235.375 3.152 20 0 BGADHN CCC[C@@H](N)c1cn([C@@H]2C=CCCCCC2)nn1 ZINC000641075563 362183986 /nfs/dbraw/zinc/18/39/86/362183986.db2.gz LCEVSCLZEWCCKU-CHWSQXEVSA-N 0 3 248.374 3.139 20 0 BGADHN CCC[C@H](N)c1cn([C@@H]2C=CCCCCC2)nn1 ZINC000641075564 362183774 /nfs/dbraw/zinc/18/37/74/362183774.db2.gz LCEVSCLZEWCCKU-OLZOCXBDSA-N 0 3 248.374 3.139 20 0 BGADHN CCC[C@@H](N)c1cn([C@H]2C=CCCCCC2)nn1 ZINC000641075565 362184335 /nfs/dbraw/zinc/18/43/35/362184335.db2.gz LCEVSCLZEWCCKU-QWHCGFSZSA-N 0 3 248.374 3.139 20 0 BGADHN CCC[C@H](N)c1cn([C@H]2C=CCCCCC2)nn1 ZINC000641075566 362184108 /nfs/dbraw/zinc/18/41/08/362184108.db2.gz LCEVSCLZEWCCKU-STQMWFEESA-N 0 3 248.374 3.139 20 0 BGADHN CCC[C@@H](C)NCc1ccc(SC)o1 ZINC000641700329 362611596 /nfs/dbraw/zinc/61/15/96/362611596.db2.gz CESSQLUPFUXAHT-SECBINFHSA-N 0 3 213.346 3.280 20 0 BGADHN CCC[C@H](C)NCc1ccc(SC)o1 ZINC000641700330 362611240 /nfs/dbraw/zinc/61/12/40/362611240.db2.gz CESSQLUPFUXAHT-VIFPVBQESA-N 0 3 213.346 3.280 20 0 BGADHN CCCCCNCc1ccc(SC)o1 ZINC000641700542 362611357 /nfs/dbraw/zinc/61/13/57/362611357.db2.gz FATQTVPAIMGNOI-UHFFFAOYSA-N 0 3 213.346 3.281 20 0 BGADHN CCC(CC)NCc1ccc(SC)o1 ZINC000641700907 362611412 /nfs/dbraw/zinc/61/14/12/362611412.db2.gz KVZJTPRJRFWTOT-UHFFFAOYSA-N 0 3 213.346 3.280 20 0 BGADHN CSc1ccc(CNC2CCCCC2)o1 ZINC000641701196 362614273 /nfs/dbraw/zinc/61/42/73/362614273.db2.gz OMZZBCBRJXICOA-UHFFFAOYSA-N 0 3 225.357 3.424 20 0 BGADHN CSc1ccc(CNCCc2ccccc2)o1 ZINC000641701500 362613906 /nfs/dbraw/zinc/61/39/06/362613906.db2.gz SGCLPEWDJPNASL-UHFFFAOYSA-N 0 3 247.363 3.334 20 0 BGADHN CSc1ccc(CNCCC(C)C)o1 ZINC000641701830 362614526 /nfs/dbraw/zinc/61/45/26/362614526.db2.gz XRFPENBZXRGBCH-UHFFFAOYSA-N 0 3 213.346 3.137 20 0 BGADHN CSc1ccc(CNC2CCCC2)o1 ZINC000641701847 362614070 /nfs/dbraw/zinc/61/40/70/362614070.db2.gz YIAYRBWARYKAGH-UHFFFAOYSA-N 0 3 211.330 3.034 20 0 BGADHN CSc1ccc(CNCC2CCCC2)o1 ZINC000641704177 362614213 /nfs/dbraw/zinc/61/42/13/362614213.db2.gz CASHBIUYRFSBDG-UHFFFAOYSA-N 0 3 225.357 3.281 20 0 BGADHN CSc1ccc(CNCC(C)(C)C)o1 ZINC000641709306 362616817 /nfs/dbraw/zinc/61/68/17/362616817.db2.gz AZHMKEPNTYZBKQ-UHFFFAOYSA-N 0 3 213.346 3.137 20 0 BGADHN CSc1ccc(CNC[C@@H](C)C2CC2)o1 ZINC000641710102 362626796 /nfs/dbraw/zinc/62/67/96/362626796.db2.gz NEPJOUDAVBUFDS-SECBINFHSA-N 0 3 225.357 3.137 20 0 BGADHN CSc1ccc(CNC[C@H](C)C2CC2)o1 ZINC000641710103 362626531 /nfs/dbraw/zinc/62/65/31/362626531.db2.gz NEPJOUDAVBUFDS-VIFPVBQESA-N 0 3 225.357 3.137 20 0 BGADHN CSc1ccc(CNC(C2CC2)C2CC2)o1 ZINC000641711025 362620124 /nfs/dbraw/zinc/62/01/24/362620124.db2.gz GFLJSCIZLDXWQN-UHFFFAOYSA-N 0 3 237.368 3.280 20 0 BGADHN CCC(C)(C)NCc1ccc(SC)o1 ZINC000641713470 362625233 /nfs/dbraw/zinc/62/52/33/362625233.db2.gz PRFFDTVBSHEFDY-UHFFFAOYSA-N 0 3 213.346 3.280 20 0 BGADHN CSc1ccc(CNC[C@@H]2CC=CCC2)o1 ZINC000641714538 362630136 /nfs/dbraw/zinc/63/01/36/362630136.db2.gz XKWOWWCRNJCDDB-LLVKDONJSA-N 0 3 237.368 3.447 20 0 BGADHN CSc1ccc(CNC[C@H]2CC=CCC2)o1 ZINC000641714545 362630254 /nfs/dbraw/zinc/63/02/54/362630254.db2.gz XKWOWWCRNJCDDB-NSHDSACASA-N 0 3 237.368 3.447 20 0 BGADHN CSc1ccc(CNC2(C)CCCC2)o1 ZINC000641715154 362631917 /nfs/dbraw/zinc/63/19/17/362631917.db2.gz HXQLDTGNABBVIF-UHFFFAOYSA-N 0 3 225.357 3.424 20 0 BGADHN CSc1ccc(CN[C@@H]2CCC[C@@H]2C)o1 ZINC000641718719 362634036 /nfs/dbraw/zinc/63/40/36/362634036.db2.gz WSWPVIUZJPKBTA-GXSJLCMTSA-N 0 3 225.357 3.280 20 0 BGADHN CSc1ccc(CN[C@H]2CCC[C@H]2C)o1 ZINC000641718720 362634111 /nfs/dbraw/zinc/63/41/11/362634111.db2.gz WSWPVIUZJPKBTA-KOLCDFICSA-N 0 3 225.357 3.280 20 0 BGADHN CSc1ccc(CN[C@@H]2CCC[C@H]2C)o1 ZINC000641718721 362634120 /nfs/dbraw/zinc/63/41/20/362634120.db2.gz WSWPVIUZJPKBTA-MWLCHTKSSA-N 0 3 225.357 3.280 20 0 BGADHN CSc1ccc(CN[C@H]2CCC[C@@H]2C)o1 ZINC000641718722 362634041 /nfs/dbraw/zinc/63/40/41/362634041.db2.gz WSWPVIUZJPKBTA-ONGXEEELSA-N 0 3 225.357 3.280 20 0 BGADHN CSc1ccc(CNCCCC2CC2)o1 ZINC000641726684 362639740 /nfs/dbraw/zinc/63/97/40/362639740.db2.gz QHBKARCDVBIQDU-UHFFFAOYSA-N 0 3 225.357 3.281 20 0 BGADHN CSc1ccc(CN[C@H]2CC=CCC2)o1 ZINC000641727440 362648250 /nfs/dbraw/zinc/64/82/50/362648250.db2.gz VOOLVUJYXNDMTJ-JTQLQIEISA-N 0 3 223.341 3.200 20 0 BGADHN CSc1ccc(CN[C@@H]2CC=CCC2)o1 ZINC000641727788 362647517 /nfs/dbraw/zinc/64/75/17/362647517.db2.gz VOOLVUJYXNDMTJ-SNVBAGLBSA-N 0 3 223.341 3.200 20 0 BGADHN CSc1ccc(CNC(C)(C)C2CC2)o1 ZINC000641728647 362649348 /nfs/dbraw/zinc/64/93/48/362649348.db2.gz DYLTUGWEWKJSBQ-UHFFFAOYSA-N 0 3 225.357 3.280 20 0 BGADHN CCc1cc(CN[C@H]2CCC[C@H](C)CC2)on1 ZINC000641729251 362650745 /nfs/dbraw/zinc/65/07/45/362650745.db2.gz WZVRJUKRWCQMTQ-AAEUAGOBSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1cc(CN[C@@H]2CCC[C@@H](C)CC2)on1 ZINC000641729252 362650931 /nfs/dbraw/zinc/65/09/31/362650931.db2.gz WZVRJUKRWCQMTQ-DGCLKSJQSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1cc(CN[C@@H]2CCC[C@H](C)CC2)on1 ZINC000641729253 362650945 /nfs/dbraw/zinc/65/09/45/362650945.db2.gz WZVRJUKRWCQMTQ-WCQYABFASA-N 0 3 236.359 3.295 20 0 BGADHN CCc1cc(CN[C@H]2CCC[C@@H](C)CC2)on1 ZINC000641729254 362651057 /nfs/dbraw/zinc/65/10/57/362651057.db2.gz WZVRJUKRWCQMTQ-YPMHNXCESA-N 0 3 236.359 3.295 20 0 BGADHN CCC1(CNCc2ccc(SC)o2)CC1 ZINC000641733216 362653055 /nfs/dbraw/zinc/65/30/55/362653055.db2.gz MQJUCTWLMNOERG-UHFFFAOYSA-N 0 3 225.357 3.281 20 0 BGADHN CSc1ccc(CNCC2(C)CCC2)o1 ZINC000641733274 362654936 /nfs/dbraw/zinc/65/49/36/362654936.db2.gz OMEDBGGNIYOKSM-UHFFFAOYSA-N 0 3 225.357 3.281 20 0 BGADHN CCC1(NCc2ccc(SC)o2)CCC1 ZINC000641733414 362654182 /nfs/dbraw/zinc/65/41/82/362654182.db2.gz PYHYUCNCCPRGIP-UHFFFAOYSA-N 0 3 225.357 3.424 20 0 BGADHN CSc1ccc(CNC2(C3CC3)CC2)o1 ZINC000641736749 362660650 /nfs/dbraw/zinc/66/06/50/362660650.db2.gz KHBRFOAWOISKAX-UHFFFAOYSA-N 0 3 223.341 3.034 20 0 BGADHN CSc1ccc(CNCC2(C3CC3)CC2)o1 ZINC000641740778 362665844 /nfs/dbraw/zinc/66/58/44/362665844.db2.gz CRZVMAXIQWLOBJ-UHFFFAOYSA-N 0 3 237.368 3.281 20 0 BGADHN CSc1ccc(CNC2(C)CCC2)o1 ZINC000641741321 362668589 /nfs/dbraw/zinc/66/85/89/362668589.db2.gz GJXNUAKGHRPRBI-UHFFFAOYSA-N 0 3 211.330 3.034 20 0 BGADHN CSc1ccc(CN[C@H](C)C2CCC2)o1 ZINC000641742543 362669180 /nfs/dbraw/zinc/66/91/80/362669180.db2.gz NQQMIDKFJZEPLV-SECBINFHSA-N 0 3 225.357 3.280 20 0 BGADHN CSc1ccc(CN[C@@H](C)C2CCC2)o1 ZINC000641742544 362668435 /nfs/dbraw/zinc/66/84/35/362668435.db2.gz NQQMIDKFJZEPLV-VIFPVBQESA-N 0 3 225.357 3.280 20 0 BGADHN CSc1ccc(CN[C@@H]2CCC(F)(F)C2)o1 ZINC000641742871 362668688 /nfs/dbraw/zinc/66/86/88/362668688.db2.gz SQPQVEUOPXQBNB-MRVPVSSYSA-N 0 3 247.310 3.279 20 0 BGADHN CSc1ccc(CN[C@H]2CCC(F)(F)C2)o1 ZINC000641742877 362668165 /nfs/dbraw/zinc/66/81/65/362668165.db2.gz SQPQVEUOPXQBNB-QMMMGPOBSA-N 0 3 247.310 3.279 20 0 BGADHN C[C@@H]1CCC[C@H](NCc2ncccc2F)CC1 ZINC000641744357 362665682 /nfs/dbraw/zinc/66/56/82/362665682.db2.gz WZCUKSUMFDPLJY-NEPJUHHUSA-N 0 3 236.334 3.279 20 0 BGADHN C[C@H]1CCC[C@@H](NCc2ncccc2F)CC1 ZINC000641744362 362665721 /nfs/dbraw/zinc/66/57/21/362665721.db2.gz WZCUKSUMFDPLJY-NWDGAFQWSA-N 0 3 236.334 3.279 20 0 BGADHN C[C@H]1CCC[C@H](NCc2ncccc2F)CC1 ZINC000641744364 362665884 /nfs/dbraw/zinc/66/58/84/362665884.db2.gz WZCUKSUMFDPLJY-RYUDHWBXSA-N 0 3 236.334 3.279 20 0 BGADHN C[C@@H]1CCC[C@@H](NCc2ncccc2F)CC1 ZINC000641744366 362665259 /nfs/dbraw/zinc/66/52/59/362665259.db2.gz WZCUKSUMFDPLJY-VXGBXAGGSA-N 0 3 236.334 3.279 20 0 BGADHN CSc1ccc(CNCCC=C(C)C)o1 ZINC000641749138 362670323 /nfs/dbraw/zinc/67/03/23/362670323.db2.gz DMQQRNXDTIPLJG-UHFFFAOYSA-N 0 3 225.357 3.447 20 0 BGADHN Nc1cnccc1CNCCC1=CCCCCC1 ZINC000641749211 362669699 /nfs/dbraw/zinc/66/96/99/362669699.db2.gz VIITUDZFHLYKHP-UHFFFAOYSA-N 0 3 245.370 3.034 20 0 BGADHN CSc1ccc(CNCC2(C(F)F)CC2)o1 ZINC000641749298 362670700 /nfs/dbraw/zinc/67/07/00/362670700.db2.gz DTPVTFXLBVCXCH-UHFFFAOYSA-N 0 3 247.310 3.136 20 0 BGADHN CSc1ccc(CNCCC2(C)CC2)o1 ZINC000641751149 362671109 /nfs/dbraw/zinc/67/11/09/362671109.db2.gz VBXAVHGLSSVJIE-UHFFFAOYSA-N 0 3 225.357 3.281 20 0 BGADHN CSc1ccc(CNCCC2(F)CCC2)o1 ZINC000641755101 362684063 /nfs/dbraw/zinc/68/40/63/362684063.db2.gz VKRPOKSQYPGSBN-UHFFFAOYSA-N 0 3 243.347 3.373 20 0 BGADHN CSc1ccc(CNC2(C(C)C)CC2)o1 ZINC000641756406 362680858 /nfs/dbraw/zinc/68/08/58/362680858.db2.gz BUFDSASGJQWWHL-UHFFFAOYSA-N 0 3 225.357 3.280 20 0 BGADHN CSc1ccc(CNCC2CC(F)(F)C2)o1 ZINC000641756701 362682807 /nfs/dbraw/zinc/68/28/07/362682807.db2.gz NICTYKPBGWMUKN-UHFFFAOYSA-N 0 3 247.310 3.136 20 0 BGADHN CSc1ccc(CNCCC(C)(F)F)o1 ZINC000641757527 362687212 /nfs/dbraw/zinc/68/72/12/362687212.db2.gz XULAZXADNXVKPB-UHFFFAOYSA-N 0 3 235.299 3.136 20 0 BGADHN CCc1ncc(CN[C@H]2CCC[C@@H](C)CC2)o1 ZINC000641758134 362686867 /nfs/dbraw/zinc/68/68/67/362686867.db2.gz JLKSVFWRQJSWQR-NEPJUHHUSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1ncc(CN[C@@H]2CCC[C@H](C)CC2)o1 ZINC000641758135 362686482 /nfs/dbraw/zinc/68/64/82/362686482.db2.gz JLKSVFWRQJSWQR-NWDGAFQWSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1ncc(CN[C@H]2CCC[C@H](C)CC2)o1 ZINC000641758136 362687166 /nfs/dbraw/zinc/68/71/66/362687166.db2.gz JLKSVFWRQJSWQR-RYUDHWBXSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1ncc(CN[C@@H]2CCC[C@@H](C)CC2)o1 ZINC000641758137 362686805 /nfs/dbraw/zinc/68/68/05/362686805.db2.gz JLKSVFWRQJSWQR-VXGBXAGGSA-N 0 3 236.359 3.295 20 0 BGADHN CCC1(NCc2ccc(SC)o2)CC1 ZINC000641758691 362689082 /nfs/dbraw/zinc/68/90/82/362689082.db2.gz QOAJXGKUQPDLCA-UHFFFAOYSA-N 0 3 211.330 3.034 20 0 BGADHN CSc1ccc(CNC2(C3(C)CC3)CC2)o1 ZINC000641758745 362690023 /nfs/dbraw/zinc/69/00/23/362690023.db2.gz UGNGOANLPRCBPN-UHFFFAOYSA-N 0 3 237.368 3.424 20 0 BGADHN CC[C@@H]1C[C@H]1CNCc1ccc(SC)o1 ZINC000641758817 362689724 /nfs/dbraw/zinc/68/97/24/362689724.db2.gz WMGLEVWQHDDPFM-ZJUUUORDSA-N 0 3 225.357 3.137 20 0 BGADHN CSc1ccc(CNC[C@@H]2C[C@H]2C2CC2)o1 ZINC000641759083 362690336 /nfs/dbraw/zinc/69/03/36/362690336.db2.gz AYXBTIZFERWILL-JQWIXIFHSA-N 0 3 237.368 3.137 20 0 BGADHN CSc1ccc(CN[C@@H]2CCC[C@@H]3C[C@@H]32)o1 ZINC000641761497 362684665 /nfs/dbraw/zinc/68/46/65/362684665.db2.gz UBQPKNNHDPBZPO-ADEWGFFLSA-N 0 3 237.368 3.280 20 0 BGADHN CSc1ccc(CN[C@H]2CCC[C@@H]3C[C@@H]32)o1 ZINC000641761498 362684801 /nfs/dbraw/zinc/68/48/01/362684801.db2.gz UBQPKNNHDPBZPO-USWWRNFRSA-N 0 3 237.368 3.280 20 0 BGADHN CSc1ccc(CN[C@@H]2CC23CCCC3)o1 ZINC000641763703 362695524 /nfs/dbraw/zinc/69/55/24/362695524.db2.gz PJIPXPLFHXKIDS-LLVKDONJSA-N 0 3 237.368 3.424 20 0 BGADHN CSc1ccc(CN[C@H]2CC23CCCC3)o1 ZINC000641763704 362695501 /nfs/dbraw/zinc/69/55/01/362695501.db2.gz PJIPXPLFHXKIDS-NSHDSACASA-N 0 3 237.368 3.424 20 0 BGADHN CSc1ccc(CNC[C@H](C)CC(F)F)o1 ZINC000641764989 362697086 /nfs/dbraw/zinc/69/70/86/362697086.db2.gz PYKCZUBKBVXVEF-MRVPVSSYSA-N 0 3 249.326 3.382 20 0 BGADHN CSc1ccc(CNC[C@@H](C)CC(F)F)o1 ZINC000641764992 362697027 /nfs/dbraw/zinc/69/70/27/362697027.db2.gz PYKCZUBKBVXVEF-QMMMGPOBSA-N 0 3 249.326 3.382 20 0 BGADHN CSc1ccc(CN[C@@H]2C[C@H]2C2CCC2)o1 ZINC000641765966 362697973 /nfs/dbraw/zinc/69/79/73/362697973.db2.gz SQVWIQAQCVFRLJ-NWDGAFQWSA-N 0 3 237.368 3.280 20 0 BGADHN CSc1ccc(CN[C@@H]2CC[C@H]3C[C@H]3C2)o1 ZINC000641767451 362700402 /nfs/dbraw/zinc/70/04/02/362700402.db2.gz JRBFCKHENSDWSV-GARJFASQSA-N 0 3 237.368 3.280 20 0 BGADHN CSc1ccc(CN[C@@H]2CC[C@@H]3C[C@@H]3C2)o1 ZINC000641767452 362700283 /nfs/dbraw/zinc/70/02/83/362700283.db2.gz JRBFCKHENSDWSV-GMTAPVOTSA-N 0 3 237.368 3.280 20 0 BGADHN CSc1ccc(CNC2(C3CCC3)CC2)o1 ZINC000641769707 362704432 /nfs/dbraw/zinc/70/44/32/362704432.db2.gz YKAUDGMUNSYOQY-UHFFFAOYSA-N 0 3 237.368 3.424 20 0 BGADHN CSc1ccc(CNC2CC3(CCC3)C2)o1 ZINC000641769825 362705351 /nfs/dbraw/zinc/70/53/51/362705351.db2.gz NMVLIADKMYPEAD-UHFFFAOYSA-N 0 3 237.368 3.424 20 0 BGADHN CSc1ccc(CNCCC(C)(C)F)o1 ZINC000641771099 362709066 /nfs/dbraw/zinc/70/90/66/362709066.db2.gz WXGMSIABERAHOO-UHFFFAOYSA-N 0 3 231.336 3.229 20 0 BGADHN CSc1ccc(CN[C@]23C[C@H]2CCC3)o1 ZINC000641771711 362710313 /nfs/dbraw/zinc/71/03/13/362710313.db2.gz HAJWXSQZCAKINH-BXKDBHETSA-N 0 3 223.341 3.034 20 0 BGADHN CSc1ccc(CN[C@@]23C[C@@H]2CCC3)o1 ZINC000641771712 362710075 /nfs/dbraw/zinc/71/00/75/362710075.db2.gz HAJWXSQZCAKINH-CABZTGNLSA-N 0 3 223.341 3.034 20 0 BGADHN CSc1ccc(CNC2CC(C)(C)C2)o1 ZINC000641773438 362711578 /nfs/dbraw/zinc/71/15/78/362711578.db2.gz HJIOMZOJJAIDLH-UHFFFAOYSA-N 0 3 225.357 3.280 20 0 BGADHN CSc1ccc(CNC2(C)CC=CC2)o1 ZINC000641773597 362708861 /nfs/dbraw/zinc/70/88/61/362708861.db2.gz XUXWVUAJKIBBMF-UHFFFAOYSA-N 0 3 223.341 3.200 20 0 BGADHN CSc1ccc(CNCC[C@@H]2CC2(F)F)o1 ZINC000641773955 362719013 /nfs/dbraw/zinc/71/90/13/362719013.db2.gz ACZGGXOZKDFGHE-MRVPVSSYSA-N 0 3 247.310 3.136 20 0 BGADHN CSc1ccc(CNCC[C@H]2CC2(F)F)o1 ZINC000641773956 362718987 /nfs/dbraw/zinc/71/89/87/362718987.db2.gz ACZGGXOZKDFGHE-QMMMGPOBSA-N 0 3 247.310 3.136 20 0 BGADHN CSc1ccc(CN[C@]2(C)CC2(C)C)o1 ZINC000641774273 362718750 /nfs/dbraw/zinc/71/87/50/362718750.db2.gz LXHDXOWJKAEYKH-GFCCVEGCSA-N 0 3 225.357 3.280 20 0 BGADHN CSc1ccc(CN[C@@]2(C)CC2(C)C)o1 ZINC000641774274 362719122 /nfs/dbraw/zinc/71/91/22/362719122.db2.gz LXHDXOWJKAEYKH-LBPRGKRZSA-N 0 3 225.357 3.280 20 0 BGADHN CSc1ccc(CNCC2CC(C)C2)o1 ZINC000641775055 362714740 /nfs/dbraw/zinc/71/47/40/362714740.db2.gz JPJZTSSXKVDZLM-UHFFFAOYSA-N 0 3 225.357 3.137 20 0 BGADHN CSc1ccc(CN[C@@H]2CCCC23CC3)o1 ZINC000641775239 362716137 /nfs/dbraw/zinc/71/61/37/362716137.db2.gz YYPBFPMGMPZCAB-LLVKDONJSA-N 0 3 237.368 3.424 20 0 BGADHN CSc1ccc(CN[C@H]2CCCC23CC3)o1 ZINC000641775240 362715924 /nfs/dbraw/zinc/71/59/24/362715924.db2.gz YYPBFPMGMPZCAB-NSHDSACASA-N 0 3 237.368 3.424 20 0 BGADHN CSc1ccc(CNCC2=CCCC2)o1 ZINC000641775329 362715680 /nfs/dbraw/zinc/71/56/80/362715680.db2.gz WQQMDMFLHPXPRS-UHFFFAOYSA-N 0 3 223.341 3.201 20 0 BGADHN CSc1ccc(CNCC2CC=CC2)o1 ZINC000641776099 362717430 /nfs/dbraw/zinc/71/74/30/362717430.db2.gz RPLZXSCMWXCXQA-UHFFFAOYSA-N 0 3 223.341 3.057 20 0 BGADHN CSc1ccc(CN[C@@]23C[C@@H]2CCCC3)o1 ZINC000641776644 362717334 /nfs/dbraw/zinc/71/73/34/362717334.db2.gz UISYGZWLPMXAHJ-GWCFXTLKSA-N 0 3 237.368 3.424 20 0 BGADHN CSc1ccc(CN[C@]23C[C@H]2CCCC3)o1 ZINC000641776647 362717307 /nfs/dbraw/zinc/71/73/07/362717307.db2.gz UISYGZWLPMXAHJ-ZWNOBZJWSA-N 0 3 237.368 3.424 20 0 BGADHN CSc1ccc(CNC[C@]2(C)CC2(F)F)o1 ZINC000641785500 362723974 /nfs/dbraw/zinc/72/39/74/362723974.db2.gz AZSHTPHNEDILBA-JTQLQIEISA-N 0 3 247.310 3.136 20 0 BGADHN CSc1ccc(CNC[C@@]2(C)CC2(F)F)o1 ZINC000641785501 362723497 /nfs/dbraw/zinc/72/34/97/362723497.db2.gz AZSHTPHNEDILBA-SNVBAGLBSA-N 0 3 247.310 3.136 20 0 BGADHN COC[C@H](C)N[C@H](C)c1cc2ccc(C)cc2o1 ZINC000641788555 362724101 /nfs/dbraw/zinc/72/41/01/362724101.db2.gz QFEPYUYKCXDNTE-NWDGAFQWSA-N 0 3 247.338 3.427 20 0 BGADHN COC[C@H](C)N[C@@H](C)c1cc2ccc(C)cc2o1 ZINC000641788556 362724090 /nfs/dbraw/zinc/72/40/90/362724090.db2.gz QFEPYUYKCXDNTE-RYUDHWBXSA-N 0 3 247.338 3.427 20 0 BGADHN CC[C@@H](NCc1ccc(SC)o1)C1CC1 ZINC000641789290 362723714 /nfs/dbraw/zinc/72/37/14/362723714.db2.gz OEFORLFXKCMKAQ-LLVKDONJSA-N 0 3 225.357 3.280 20 0 BGADHN CC[C@H](NCc1ccc(SC)o1)C1CC1 ZINC000641789291 362724169 /nfs/dbraw/zinc/72/41/69/362724169.db2.gz OEFORLFXKCMKAQ-NSHDSACASA-N 0 3 225.357 3.280 20 0 BGADHN CCOc1ccc([C@@H]2C[C@H]2NCC2(F)CC2)cc1 ZINC000641789372 362723467 /nfs/dbraw/zinc/72/34/67/362723467.db2.gz OUKMIXDEXBKMBZ-UONOGXRCSA-N 0 3 249.329 3.033 20 0 BGADHN c1nc(C2CC2)oc1CN[C@@H]1CC12CCCCC2 ZINC000641789453 362724031 /nfs/dbraw/zinc/72/40/31/362724031.db2.gz QBBQAQWWXHJERI-CYBMUJFWSA-N 0 3 246.354 3.364 20 0 BGADHN c1nc(C2CC2)oc1CN[C@H]1CC12CCCCC2 ZINC000641789454 362723952 /nfs/dbraw/zinc/72/39/52/362723952.db2.gz QBBQAQWWXHJERI-ZDUSSCGKSA-N 0 3 246.354 3.364 20 0 BGADHN c1coc(CNC23CC(c4ccccc4)(C2)C3)c1 ZINC000641789862 362725088 /nfs/dbraw/zinc/72/50/88/362725088.db2.gz CBDLXOZTQHEVJF-UHFFFAOYSA-N 0 3 239.318 3.244 20 0 BGADHN Cc1nc(C)c(CN[C@@H]2CC23CCCCC3)o1 ZINC000641790212 362725084 /nfs/dbraw/zinc/72/50/84/362725084.db2.gz VFPGSMBPSJAYHG-CYBMUJFWSA-N 0 3 234.343 3.104 20 0 BGADHN Cc1nc(C)c(CN[C@H]2CC23CCCCC3)o1 ZINC000641790215 362724733 /nfs/dbraw/zinc/72/47/33/362724733.db2.gz VFPGSMBPSJAYHG-ZDUSSCGKSA-N 0 3 234.343 3.104 20 0 BGADHN C[C@@H](NCc1nsc2ccccc21)[C@@H]1C[C@H]1C ZINC000641791249 362730527 /nfs/dbraw/zinc/73/05/27/362730527.db2.gz BPIPXRWNKSOVGW-CKYFFXLPSA-N 0 3 246.379 3.430 20 0 BGADHN C[C@@H](NCc1nsc2ccccc21)[C@H]1C[C@H]1C ZINC000641791250 362730104 /nfs/dbraw/zinc/73/01/04/362730104.db2.gz BPIPXRWNKSOVGW-FOGDFJRCSA-N 0 3 246.379 3.430 20 0 BGADHN C[C@H](NCc1nsc2ccccc21)[C@@H]1C[C@H]1C ZINC000641791251 362730651 /nfs/dbraw/zinc/73/06/51/362730651.db2.gz BPIPXRWNKSOVGW-JFGNBEQYSA-N 0 3 246.379 3.430 20 0 BGADHN C[C@H](NCc1nsc2ccccc21)[C@H]1C[C@H]1C ZINC000641791252 362729982 /nfs/dbraw/zinc/72/99/82/362729982.db2.gz BPIPXRWNKSOVGW-SCVCMEIPSA-N 0 3 246.379 3.430 20 0 BGADHN CC1CC(NCc2nsc3ccccc32)C1 ZINC000641791653 362732009 /nfs/dbraw/zinc/73/20/09/362732009.db2.gz HMUACVWSIYWKCY-UHFFFAOYSA-N 0 3 232.352 3.184 20 0 BGADHN C[C@@H](NCc1nsc2ccccc21)C1CC1 ZINC000641791956 362725584 /nfs/dbraw/zinc/72/55/84/362725584.db2.gz MDBHKQYIYRPZTD-SECBINFHSA-N 0 3 232.352 3.184 20 0 BGADHN C[C@H](NCc1nsc2ccccc21)C1CC1 ZINC000641791957 362726422 /nfs/dbraw/zinc/72/64/22/362726422.db2.gz MDBHKQYIYRPZTD-VIFPVBQESA-N 0 3 232.352 3.184 20 0 BGADHN CC[C@@H](C)NCc1nsc2ccccc12 ZINC000641792149 362726007 /nfs/dbraw/zinc/72/60/07/362726007.db2.gz OXDJDMZEYDNYNK-SECBINFHSA-N 0 3 220.341 3.184 20 0 BGADHN CC[C@H](C)NCc1nsc2ccccc12 ZINC000641792150 362726430 /nfs/dbraw/zinc/72/64/30/362726430.db2.gz OXDJDMZEYDNYNK-VIFPVBQESA-N 0 3 220.341 3.184 20 0 BGADHN c1ccc2c(CNC3CCCC3)nsc2c1 ZINC000641792312 362727676 /nfs/dbraw/zinc/72/76/76/362727676.db2.gz QUWMUPYILAYEHX-UHFFFAOYSA-N 0 3 232.352 3.329 20 0 BGADHN CC(C)[C@H](C)NCc1nsc2ccccc12 ZINC000641792393 362727784 /nfs/dbraw/zinc/72/77/84/362727784.db2.gz SXYIDHVSMYIENK-JTQLQIEISA-N 0 3 234.368 3.430 20 0 BGADHN CC(C)[C@@H](C)NCc1nsc2ccccc12 ZINC000641792394 362728115 /nfs/dbraw/zinc/72/81/15/362728115.db2.gz SXYIDHVSMYIENK-SNVBAGLBSA-N 0 3 234.368 3.430 20 0 BGADHN CC1(CNCc2nsc3ccccc32)CC1 ZINC000641793166 362735528 /nfs/dbraw/zinc/73/55/28/362735528.db2.gz GKQRATWZCKWTQX-UHFFFAOYSA-N 0 3 232.352 3.186 20 0 BGADHN CC(C)(C)CNCc1nsc2ccccc12 ZINC000641793188 362735758 /nfs/dbraw/zinc/73/57/58/362735758.db2.gz HCXIKKOLVUHQQZ-UHFFFAOYSA-N 0 3 234.368 3.432 20 0 BGADHN CC(C)CNCc1nsc2ccccc12 ZINC000641794134 362734316 /nfs/dbraw/zinc/73/43/16/362734316.db2.gz QPIXVMUKTSJCKS-UHFFFAOYSA-N 0 3 220.341 3.042 20 0 BGADHN Cc1noc(C)c1CN(C)[C@H](C)C(C)(C)C ZINC000642095254 362852070 /nfs/dbraw/zinc/85/20/70/362852070.db2.gz NXRGXZZZVNHLMW-LLVKDONJSA-N 0 3 224.348 3.158 20 0 BGADHN Cc1noc(C)c1CN(C)[C@@H](C)C(C)(C)C ZINC000642095255 362852144 /nfs/dbraw/zinc/85/21/44/362852144.db2.gz NXRGXZZZVNHLMW-NSHDSACASA-N 0 3 224.348 3.158 20 0 BGADHN CCC[C@@H](C)N(C)CC(=O)Nc1cccc(C)c1 ZINC000642330746 363361538 /nfs/dbraw/zinc/36/15/38/363361538.db2.gz MQVOSKMWTNLDSJ-CYBMUJFWSA-N 0 3 248.370 3.054 20 0 BGADHN CCC[C@H](C)N(C)CC(=O)Nc1cccc(C)c1 ZINC000642330747 363361339 /nfs/dbraw/zinc/36/13/39/363361339.db2.gz MQVOSKMWTNLDSJ-ZDUSSCGKSA-N 0 3 248.370 3.054 20 0 BGADHN Cc1ccc(CCNCc2cccc(F)c2)o1 ZINC000642342653 363448012 /nfs/dbraw/zinc/44/80/12/363448012.db2.gz XQTNJFNYVJZXPR-UHFFFAOYSA-N 0 3 233.286 3.059 20 0 BGADHN CC(C)CCCNCc1nc2ccccc2o1 ZINC000642515512 368166785 /nfs/dbraw/zinc/16/67/85/368166785.db2.gz GURMRXOFEOQIAD-UHFFFAOYSA-N 0 3 232.327 3.354 20 0 BGADHN Cc1cccc(C)c1OCCN1C2CCC1CC2 ZINC000642525584 368174432 /nfs/dbraw/zinc/17/44/32/368174432.db2.gz VZDRKWUAEMDWOY-UHFFFAOYSA-N 0 3 245.366 3.309 20 0 BGADHN c1ccc([C@@H]2CN(CC3CCCC3)CCO2)cc1 ZINC000642621271 388625859 /nfs/dbraw/zinc/62/58/59/388625859.db2.gz HNCFXQOXSZGDHZ-INIZCTEOSA-N 0 3 245.366 3.250 20 0 BGADHN c1ccc([C@H]2CN(CC3CCCC3)CCO2)cc1 ZINC000642621272 388625217 /nfs/dbraw/zinc/62/52/17/388625217.db2.gz HNCFXQOXSZGDHZ-MRXNPFEDSA-N 0 3 245.366 3.250 20 0 BGADHN CO[C@H](CC(C)C)CN(C)Cc1ccsc1 ZINC000642650239 388345432 /nfs/dbraw/zinc/34/54/32/388345432.db2.gz ZSVROZBAHAQPGK-CYBMUJFWSA-N 0 3 241.400 3.241 20 0 BGADHN CO[C@@H](CC(C)C)CN(C)Cc1ccsc1 ZINC000642650240 388345439 /nfs/dbraw/zinc/34/54/39/388345439.db2.gz ZSVROZBAHAQPGK-ZDUSSCGKSA-N 0 3 241.400 3.241 20 0 BGADHN CCN(Cc1ccoc1)C[C@H](CC(C)C)OC ZINC000642684696 384063762 /nfs/dbraw/zinc/06/37/62/384063762.db2.gz RNBHMGCJUMOPBK-AWEZNQCLSA-N 0 3 239.359 3.163 20 0 BGADHN CCN(Cc1ccoc1)C[C@@H](CC(C)C)OC ZINC000642684697 384063500 /nfs/dbraw/zinc/06/35/00/384063500.db2.gz RNBHMGCJUMOPBK-CQSZACIVSA-N 0 3 239.359 3.163 20 0 BGADHN C[C@H]1[C@@H](C)N(Cc2ccc(Cl)cn2)C[C@H]1C ZINC000642722170 385038676 /nfs/dbraw/zinc/03/86/76/385038676.db2.gz GTCSHLWXDIANJV-GMTAPVOTSA-N 0 3 238.762 3.211 20 0 BGADHN C[C@@H]1[C@H](C)CN(Cc2ccc(Cl)cn2)[C@H]1C ZINC000642722171 385039191 /nfs/dbraw/zinc/03/91/91/385039191.db2.gz GTCSHLWXDIANJV-MXWKQRLJSA-N 0 3 238.762 3.211 20 0 BGADHN C[C@@H]1[C@@H](C)[C@H](C)CN1Cc1ccc(Cl)cn1 ZINC000642722172 385040779 /nfs/dbraw/zinc/04/07/79/385040779.db2.gz GTCSHLWXDIANJV-OUAUKWLOSA-N 0 3 238.762 3.211 20 0 BGADHN C[C@@H]1CN(Cc2ccc(Cl)cn2)[C@@H](C)[C@H]1C ZINC000642722173 385041218 /nfs/dbraw/zinc/04/12/18/385041218.db2.gz GTCSHLWXDIANJV-VWYCJHECSA-N 0 3 238.762 3.211 20 0 BGADHN C[C@@H]1[C@@H](C)[C@H](C)CN1Cc1noc2c1CCCC2 ZINC000642722995 385034881 /nfs/dbraw/zinc/03/48/81/385034881.db2.gz JWLYIBKNUIPVFZ-GRYCIOLGSA-N 0 3 248.370 3.030 20 0 BGADHN C[C@H]1[C@@H](C)N(Cc2noc3c2CCCC3)C[C@H]1C ZINC000642722996 385035251 /nfs/dbraw/zinc/03/52/51/385035251.db2.gz JWLYIBKNUIPVFZ-IJLUTSLNSA-N 0 3 248.370 3.030 20 0 BGADHN C[C@@H]1[C@H](C)CN(Cc2noc3c2CCCC3)[C@H]1C ZINC000642722997 385034919 /nfs/dbraw/zinc/03/49/19/385034919.db2.gz JWLYIBKNUIPVFZ-UTUOFQBUSA-N 0 3 248.370 3.030 20 0 BGADHN C[C@@H]1CN(Cc2noc3c2CCCC3)[C@@H](C)[C@H]1C ZINC000642722998 385035452 /nfs/dbraw/zinc/03/54/52/385035452.db2.gz JWLYIBKNUIPVFZ-WOPDTQHZSA-N 0 3 248.370 3.030 20 0 BGADHN Cn1cnc(CNCC2(C)CCC(C)(C)CC2)c1 ZINC000642890243 384388700 /nfs/dbraw/zinc/38/87/00/384388700.db2.gz HGXCYHSLAJMFDW-UHFFFAOYSA-N 0 3 249.402 3.116 20 0 BGADHN C[C@@H]1COCCCN1Cc1cccc(C2CC2)c1 ZINC000643285510 386046784 /nfs/dbraw/zinc/04/67/84/386046784.db2.gz OMYTXLHPGTYDNB-CYBMUJFWSA-N 0 3 245.366 3.175 20 0 BGADHN C[C@H]1COCCCN1Cc1cccc(C2CC2)c1 ZINC000643285512 386045906 /nfs/dbraw/zinc/04/59/06/386045906.db2.gz OMYTXLHPGTYDNB-ZDUSSCGKSA-N 0 3 245.366 3.175 20 0 BGADHN C1=CCC(NCc2ccccc2OCC2CC2)C1 ZINC000643290903 386061644 /nfs/dbraw/zinc/06/16/44/386061644.db2.gz CWEMVIAKGUQFFL-UHFFFAOYSA-N 0 3 243.350 3.284 20 0 BGADHN CCc1cccc(F)c1CNC1CC=CC1 ZINC000643291011 386063701 /nfs/dbraw/zinc/06/37/01/386063701.db2.gz SAWZDPLZYOZUJB-UHFFFAOYSA-N 0 3 219.303 3.196 20 0 BGADHN c1cc(CN2CC=CCC2)cc(C2CC2)c1 ZINC000643292153 386071629 /nfs/dbraw/zinc/07/16/29/386071629.db2.gz MYSMBEYNMAVFOQ-UHFFFAOYSA-N 0 3 213.324 3.326 20 0 BGADHN c1cc(CN2CC(C3CC3)C2)cc(C2CC2)c1 ZINC000643293648 386087660 /nfs/dbraw/zinc/08/76/60/386087660.db2.gz KGXIWBUVKIDDMK-UHFFFAOYSA-N 0 3 227.351 3.406 20 0 BGADHN C=Cc1ccc(CCNCc2nccs2)cc1 ZINC000643338467 398155799 /nfs/dbraw/zinc/15/57/99/398155799.db2.gz FROXKUUAKWZPEP-UHFFFAOYSA-N 0 3 244.363 3.118 20 0 BGADHN COC1([C@@H](C)NCc2ccoc2C)CCCC1 ZINC000643344981 384378416 /nfs/dbraw/zinc/37/84/16/384378416.db2.gz DGMGNOBEDXACBC-GFCCVEGCSA-N 0 3 237.343 3.025 20 0 BGADHN COC1([C@H](C)NCc2ccoc2C)CCCC1 ZINC000643344982 384378233 /nfs/dbraw/zinc/37/82/33/384378233.db2.gz DGMGNOBEDXACBC-LBPRGKRZSA-N 0 3 237.343 3.025 20 0 BGADHN C[C@@H](NC[C@@H](C)C1CC1)c1ccncc1Cl ZINC000643345061 398337248 /nfs/dbraw/zinc/33/72/48/398337248.db2.gz PIUTUSFTYZWJNR-NXEZZACHSA-N 0 3 238.762 3.432 20 0 BGADHN C[C@@H](CN[C@@H](C)c1ccncc1Cl)C1CC1 ZINC000643345062 398337167 /nfs/dbraw/zinc/33/71/67/398337167.db2.gz PIUTUSFTYZWJNR-UWVGGRQHSA-N 0 3 238.762 3.432 20 0 BGADHN C[C@@H](CN[C@H](C)c1ccncc1Cl)C1CC1 ZINC000643345063 398337241 /nfs/dbraw/zinc/33/72/41/398337241.db2.gz PIUTUSFTYZWJNR-VHSXEESVSA-N 0 3 238.762 3.432 20 0 BGADHN C[C@H](CN[C@@H](C)c1ccncc1Cl)C1CC1 ZINC000643345064 398337201 /nfs/dbraw/zinc/33/72/01/398337201.db2.gz PIUTUSFTYZWJNR-ZJUUUORDSA-N 0 3 238.762 3.432 20 0 BGADHN CCCOc1cccc(CN2CC(C3CC3)C2)c1 ZINC000643345119 384376279 /nfs/dbraw/zinc/37/62/79/384376279.db2.gz BSHQGIZKRBQJPI-UHFFFAOYSA-N 0 3 245.366 3.317 20 0 BGADHN c1ccc2c(c1)ccnc2CN1CC(C2CC2)C1 ZINC000643345121 384375060 /nfs/dbraw/zinc/37/50/60/384375060.db2.gz BYCZVTFGRPACQT-UHFFFAOYSA-N 0 3 238.334 3.077 20 0 BGADHN c1cnc2ccc(CN3CC(C4CC4)C3)cc2c1 ZINC000643345124 384374993 /nfs/dbraw/zinc/37/49/93/384374993.db2.gz CHLQCURUOATLBS-UHFFFAOYSA-N 0 3 238.334 3.077 20 0 BGADHN c1c2ccccc2[nH]c1CN1CC(C2CC2)C1 ZINC000643345134 384374702 /nfs/dbraw/zinc/37/47/02/384374702.db2.gz CRKVVBCLQNMGSZ-UHFFFAOYSA-N 0 3 226.323 3.010 20 0 BGADHN CC(C)Oc1ccc(CN2CC(C3CC3)C2)cc1 ZINC000643345135 384376148 /nfs/dbraw/zinc/37/61/48/384376148.db2.gz CRTMNWOSFHCEBI-UHFFFAOYSA-N 0 3 245.366 3.316 20 0 BGADHN Fc1ccc(/C=C/CN2CC(C3CC3)C2)cc1F ZINC000643345145 384375827 /nfs/dbraw/zinc/37/58/27/384375827.db2.gz DFHYZJBBKSUBQD-OWOJBTEDSA-N 0 3 249.304 3.320 20 0 BGADHN Fc1ccc(/C=C\CN2CC(C3CC3)C2)cc1F ZINC000643345146 384375209 /nfs/dbraw/zinc/37/52/09/384375209.db2.gz DFHYZJBBKSUBQD-UPHRSURJSA-N 0 3 249.304 3.320 20 0 BGADHN c1cc2cc(CN3CC(C4CC4)C3)ccc2o1 ZINC000643345162 384375925 /nfs/dbraw/zinc/37/59/25/384375925.db2.gz FCKGGLJNNMBHLM-UHFFFAOYSA-N 0 3 227.307 3.275 20 0 BGADHN c1ccc2c(CN3CC(C4CC4)C3)ccnc2c1 ZINC000643345178 384376639 /nfs/dbraw/zinc/37/66/39/384376639.db2.gz GGQDOWKNSSUGST-UHFFFAOYSA-N 0 3 238.334 3.077 20 0 BGADHN c1cc2cc(CN3CC(C4CC4)C3)ccc2cn1 ZINC000643345201 384376943 /nfs/dbraw/zinc/37/69/43/384376943.db2.gz HZFPGDIJDQUDKT-UHFFFAOYSA-N 0 3 238.334 3.077 20 0 BGADHN C/C(=C/c1ccccc1)CN1CC(C2CC2)C1 ZINC000643345230 384377921 /nfs/dbraw/zinc/37/79/21/384377921.db2.gz KCSTXSITYMFIDL-LCYFTJDESA-N 0 3 227.351 3.432 20 0 BGADHN C/C(=C\c1ccccc1)CN1CC(C2CC2)C1 ZINC000643345231 384377531 /nfs/dbraw/zinc/37/75/31/384377531.db2.gz KCSTXSITYMFIDL-UKTHLTGXSA-N 0 3 227.351 3.432 20 0 BGADHN CCCc1cccc(CN2CC(C3CC3)C2)c1 ZINC000643345302 384380258 /nfs/dbraw/zinc/38/02/58/384380258.db2.gz OKBJUQJAZJKTLN-UHFFFAOYSA-N 0 3 229.367 3.481 20 0 BGADHN COc1c(C)cc(CN2CC(C3CC3)C2)cc1C ZINC000643345305 384379832 /nfs/dbraw/zinc/37/98/32/384379832.db2.gz ONLXGJCCUYORBU-UHFFFAOYSA-N 0 3 245.366 3.154 20 0 BGADHN CCCc1ccc(CN2CC(C3CC3)C2)cc1 ZINC000643345306 384381522 /nfs/dbraw/zinc/38/15/22/384381522.db2.gz ONSSGGNDDQQMGJ-UHFFFAOYSA-N 0 3 229.367 3.481 20 0 BGADHN CCc1cccc(F)c1CN1CC(C2CC2)C1 ZINC000643345370 384379642 /nfs/dbraw/zinc/37/96/42/384379642.db2.gz TVAYPHFXGYSOHD-UHFFFAOYSA-N 0 3 233.330 3.230 20 0 BGADHN CC(C)CCn1cccc1CN1CC(C2CC2)C1 ZINC000643345403 384381350 /nfs/dbraw/zinc/38/13/50/384381350.db2.gz VJRCKYVJDILVGL-UHFFFAOYSA-N 0 3 246.398 3.376 20 0 BGADHN Cc1cc(Cl)ccc1CN1CC(C2CC2)C1 ZINC000643345418 398337321 /nfs/dbraw/zinc/33/73/21/398337321.db2.gz WJWYNEDMNALGKO-UHFFFAOYSA-N 0 3 235.758 3.490 20 0 BGADHN Cc1ccc(CN2CC(C3CC3)C2)cc1C ZINC000643345436 384379581 /nfs/dbraw/zinc/37/95/81/384379581.db2.gz XSHDHWORJCNJIQ-UHFFFAOYSA-N 0 3 215.340 3.145 20 0 BGADHN c1cnc2c(c1)cccc2CN1CC(C2CC2)C1 ZINC000643345460 384382408 /nfs/dbraw/zinc/38/24/08/384382408.db2.gz ZSWWCNYXVQKPMD-UHFFFAOYSA-N 0 3 238.334 3.077 20 0 BGADHN CC(C)Oc1cccc(CN2CC(C3CC3)C2)c1 ZINC000643345618 384423354 /nfs/dbraw/zinc/42/33/54/384423354.db2.gz BRLYEQSLTBSUGL-UHFFFAOYSA-N 0 3 245.366 3.316 20 0 BGADHN c1oc2ccccc2c1CN1CC(C2CC2)C1 ZINC000643345681 384423215 /nfs/dbraw/zinc/42/32/15/384423215.db2.gz FXFMPSNBDISUSA-UHFFFAOYSA-N 0 3 227.307 3.275 20 0 BGADHN CCc1ccc(CN2CC(C3CC3)C2)s1 ZINC000643345690 384424026 /nfs/dbraw/zinc/42/40/26/384424026.db2.gz GJJWTEBVXOBFSD-UHFFFAOYSA-N 0 3 221.369 3.152 20 0 BGADHN Cc1cc(CN2CC(C3CC3)C2)c(C)s1 ZINC000643345747 384424277 /nfs/dbraw/zinc/42/42/77/384424277.db2.gz KHGSIPJUMCKFMP-UHFFFAOYSA-N 0 3 221.369 3.207 20 0 BGADHN Fc1ccc2oc(CN3CC(C4CC4)C3)cc2c1 ZINC000643345769 384422790 /nfs/dbraw/zinc/42/27/90/384422790.db2.gz LEGFXSGEUINMJY-UHFFFAOYSA-N 0 3 245.297 3.414 20 0 BGADHN CC(C)Oc1ccccc1CN1CC(C2CC2)C1 ZINC000643345790 384423316 /nfs/dbraw/zinc/42/33/16/384423316.db2.gz MPWPWFLZYIPUBP-UHFFFAOYSA-N 0 3 245.366 3.316 20 0 BGADHN CCc1ccc(CN2CC(C3CC3)C2)cc1 ZINC000643345802 384424199 /nfs/dbraw/zinc/42/41/99/384424199.db2.gz NPVHUWQUMCRXJC-UHFFFAOYSA-N 0 3 215.340 3.091 20 0 BGADHN FC(F)c1ccc(CN2CC(C3CC3)C2)cc1 ZINC000643345812 384425831 /nfs/dbraw/zinc/42/58/31/384425831.db2.gz OCSNKULVHXAFQX-UHFFFAOYSA-N 0 3 237.293 3.466 20 0 BGADHN Fc1ccc(/C=C/CN2CC(C3CC3)C2)cc1 ZINC000643345854 384427074 /nfs/dbraw/zinc/42/70/74/384427074.db2.gz QRDCVZAGZSOTFS-OWOJBTEDSA-N 0 3 231.314 3.181 20 0 BGADHN Fc1ccc(/C=C\CN2CC(C3CC3)C2)cc1 ZINC000643345855 384427085 /nfs/dbraw/zinc/42/70/85/384427085.db2.gz QRDCVZAGZSOTFS-UPHRSURJSA-N 0 3 231.314 3.181 20 0 BGADHN C(=C\c1ccccc1)\CN1CC(C2CC2)C1 ZINC000643345872 384427342 /nfs/dbraw/zinc/42/73/42/384427342.db2.gz RKAONMHIXOEOPR-DAXSKMNVSA-N 0 3 213.324 3.042 20 0 BGADHN C(=C/c1ccccc1)\CN1CC(C2CC2)C1 ZINC000643345873 384427477 /nfs/dbraw/zinc/42/74/77/384427477.db2.gz RKAONMHIXOEOPR-QPJJXVBHSA-N 0 3 213.324 3.042 20 0 BGADHN c1cc2cnccc2c(CN2CC(C3CC3)C2)c1 ZINC000643345941 384419118 /nfs/dbraw/zinc/41/91/18/384419118.db2.gz UYTKYDGIILNYQJ-UHFFFAOYSA-N 0 3 238.334 3.077 20 0 BGADHN CSc1ccc(CN2CC(C3CC3)C2)cc1 ZINC000643345961 384419667 /nfs/dbraw/zinc/41/96/67/384419667.db2.gz VSIVZRCVKMHJKZ-UHFFFAOYSA-N 0 3 233.380 3.250 20 0 BGADHN CCCOc1ccc(CN2CC(C3CC3)C2)cc1 ZINC000643346004 384422529 /nfs/dbraw/zinc/42/25/29/384422529.db2.gz WXDQCWWMFUEQSX-UHFFFAOYSA-N 0 3 245.366 3.317 20 0 BGADHN COc1ccccc1/C=C/CN1CC(C2CC2)C1 ZINC000643346049 384423095 /nfs/dbraw/zinc/42/30/95/384423095.db2.gz YCSZWCVYKPNCKT-GQCTYLIASA-N 0 3 243.350 3.050 20 0 BGADHN COc1ccccc1/C=C\CN1CC(C2CC2)C1 ZINC000643346052 384422053 /nfs/dbraw/zinc/42/20/53/384422053.db2.gz YCSZWCVYKPNCKT-XQRVVYSFSA-N 0 3 243.350 3.050 20 0 BGADHN c1c2ccccc2oc1CN1CC(C2CC2)C1 ZINC000643346093 384423630 /nfs/dbraw/zinc/42/36/30/384423630.db2.gz ZUXJCNXIVZFWFN-UHFFFAOYSA-N 0 3 227.307 3.275 20 0 BGADHN C[C@@H](NC1CC=CC1)c1ccncc1Cl ZINC000643346728 384511232 /nfs/dbraw/zinc/51/12/32/384511232.db2.gz VJZQNPYFYRLMAS-SECBINFHSA-N 0 3 222.719 3.104 20 0 BGADHN C[C@H](NC1CC=CC1)c1ccncc1Cl ZINC000643346729 384509953 /nfs/dbraw/zinc/50/99/53/384509953.db2.gz VJZQNPYFYRLMAS-VIFPVBQESA-N 0 3 222.719 3.104 20 0 BGADHN COc1cc(Cl)ccc1[C@@H](C)NCCCF ZINC000643347126 384737014 /nfs/dbraw/zinc/73/70/14/384737014.db2.gz GAUHERYDEBEBPS-SECBINFHSA-N 0 3 245.725 3.359 20 0 BGADHN COc1cc(Cl)ccc1[C@H](C)NCCCF ZINC000643347127 384737094 /nfs/dbraw/zinc/73/70/94/384737094.db2.gz GAUHERYDEBEBPS-VIFPVBQESA-N 0 3 245.725 3.359 20 0 BGADHN CCN(Cc1ccccc1C1CC1)[C@H]1CCOC1 ZINC000643353266 384479649 /nfs/dbraw/zinc/47/96/49/384479649.db2.gz BATANGRUFIDXHF-HNNXBMFYSA-N 0 3 245.366 3.175 20 0 BGADHN CCN(Cc1ccccc1C1CC1)[C@@H]1CCOC1 ZINC000643353271 384479750 /nfs/dbraw/zinc/47/97/50/384479750.db2.gz BATANGRUFIDXHF-OAHLLOKOSA-N 0 3 245.366 3.175 20 0 BGADHN CCN(Cc1cc2ccccc2[nH]1)C[C@@H](C)OC ZINC000643357109 491104329 /nfs/dbraw/zinc/10/43/29/491104329.db2.gz NLYKBMSMVWHWBS-GFCCVEGCSA-N 0 3 246.354 3.025 20 0 BGADHN CCN(Cc1cc2ccccc2[nH]1)C[C@H](C)OC ZINC000643357110 491104332 /nfs/dbraw/zinc/10/43/32/491104332.db2.gz NLYKBMSMVWHWBS-LBPRGKRZSA-N 0 3 246.354 3.025 20 0 BGADHN CCO[C@@H]1CCCN([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000643371619 411407116 /nfs/dbraw/zinc/40/71/16/411407116.db2.gz XAUBEBALMPKGTE-BZUAXINKSA-N 0 3 245.366 3.043 20 0 BGADHN FC(F)[C@@H]1CCN([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000643375409 385982319 /nfs/dbraw/zinc/98/23/19/385982319.db2.gz VBKQRMVMNCATJT-JHJVBQTASA-N 0 3 237.293 3.130 20 0 BGADHN C[C@@H]1CCN(C[C@@H]2C[C@H]2c2ccccc2)C[C@@H]1F ZINC000643376262 386578959 /nfs/dbraw/zinc/57/89/59/386578959.db2.gz LFNWENNVVVSNDS-OEAJRASXSA-N 0 3 247.357 3.470 20 0 BGADHN C[C@H]1CCN(C[C@@H]2C[C@H]2c2ccccc2)C[C@H]1F ZINC000643376263 386578819 /nfs/dbraw/zinc/57/88/19/386578819.db2.gz LFNWENNVVVSNDS-QCEMKRCNSA-N 0 3 247.357 3.470 20 0 BGADHN C[C@@H]1CCN(C[C@@H]2C[C@H]2c2ccccc2)C[C@H]1F ZINC000643376264 386579080 /nfs/dbraw/zinc/57/90/80/386579080.db2.gz LFNWENNVVVSNDS-SYAUCNOPSA-N 0 3 247.357 3.470 20 0 BGADHN C[C@H]1CCN(C[C@@H]2C[C@H]2c2ccccc2)C[C@@H]1F ZINC000643376265 386579049 /nfs/dbraw/zinc/57/90/49/386579049.db2.gz LFNWENNVVVSNDS-TUUVXOQKSA-N 0 3 247.357 3.470 20 0 BGADHN CCN(Cc1cc(C)ccn1)CC(C)(C)C ZINC000643409352 386470378 /nfs/dbraw/zinc/47/03/78/386470378.db2.gz ITRMFBNQLMRMQT-UHFFFAOYSA-N 0 3 220.360 3.258 20 0 BGADHN CCN(Cc1oc(C)nc1C)CC(C)(C)C ZINC000643409780 386531143 /nfs/dbraw/zinc/53/11/43/386531143.db2.gz BYZRLUJQSOOAET-UHFFFAOYSA-N 0 3 224.348 3.159 20 0 BGADHN Clc1cnc2oc(CN[C@@H]3CC34CC4)cc2c1 ZINC000643800616 385100701 /nfs/dbraw/zinc/10/07/01/385100701.db2.gz MBDGNSXDSXXWEU-LLVKDONJSA-N 0 3 248.713 3.123 20 0 BGADHN Clc1cnc2oc(CN[C@H]3CC34CC4)cc2c1 ZINC000643800617 385100496 /nfs/dbraw/zinc/10/04/96/385100496.db2.gz MBDGNSXDSXXWEU-NSHDSACASA-N 0 3 248.713 3.123 20 0 BGADHN COc1cccc(CN[C@@H]2C[C@H]2C2CCC2)c1F ZINC000643801162 385111591 /nfs/dbraw/zinc/11/15/91/385111591.db2.gz FTBOEPKUMURQPZ-QWHCGFSZSA-N 0 3 249.329 3.113 20 0 BGADHN Clc1cscc1CN[C@@H]1C[C@H]2C[C@H]2C1 ZINC000643808364 385300223 /nfs/dbraw/zinc/30/02/23/385300223.db2.gz OWTJHXBXKANSEP-DIYOJNKTSA-N 0 3 227.760 3.290 20 0 BGADHN Fc1cc2c(c(F)c1)CC[C@H]2N[C@@H]1CC12CC2 ZINC000643907837 384933096 /nfs/dbraw/zinc/93/30/96/384933096.db2.gz GLEPTOXYQJVUMC-CHWSQXEVSA-N 0 3 235.277 3.094 20 0 BGADHN Fc1cc2c(c(F)c1)CC[C@H]2N[C@H]1CC12CC2 ZINC000643907838 384934105 /nfs/dbraw/zinc/93/41/05/384934105.db2.gz GLEPTOXYQJVUMC-OLZOCXBDSA-N 0 3 235.277 3.094 20 0 BGADHN Fc1cc2c(c(F)c1)CC[C@@H]2N[C@@H]1CC12CC2 ZINC000643907839 384933053 /nfs/dbraw/zinc/93/30/53/384933053.db2.gz GLEPTOXYQJVUMC-QWHCGFSZSA-N 0 3 235.277 3.094 20 0 BGADHN Fc1cc2c(c(F)c1)CC[C@@H]2N[C@H]1CC12CC2 ZINC000643907840 384933730 /nfs/dbraw/zinc/93/37/30/384933730.db2.gz GLEPTOXYQJVUMC-STQMWFEESA-N 0 3 235.277 3.094 20 0 BGADHN Cc1ncc([C@@H](C)N[C@@H]2C[C@H]2C2CCC2)s1 ZINC000643908980 384936146 /nfs/dbraw/zinc/93/61/46/384936146.db2.gz BPUDTRISZQYOJD-JFUSQASVSA-N 0 3 236.384 3.291 20 0 BGADHN Cc1ncc([C@H](C)N[C@@H]2C[C@H]2C2CCC2)s1 ZINC000643908981 384938616 /nfs/dbraw/zinc/93/86/16/384938616.db2.gz BPUDTRISZQYOJD-KPXOXKRLSA-N 0 3 236.384 3.291 20 0 BGADHN c1cnc2c(c1)CCC[C@H]2N[C@@H]1C[C@H]1C1CCC1 ZINC000643909019 384939440 /nfs/dbraw/zinc/93/94/40/384939440.db2.gz ZRSWPDIAJGJQFC-RRFJBIMHSA-N 0 3 242.366 3.237 20 0 BGADHN c1cnc2c(c1)CCC[C@@H]2N[C@@H]1C[C@H]1C1CCC1 ZINC000643909020 384940236 /nfs/dbraw/zinc/94/02/36/384940236.db2.gz ZRSWPDIAJGJQFC-SOUVJXGZSA-N 0 3 242.366 3.237 20 0 BGADHN CC(C)[C@H]1C[C@H](N[C@@H]2CCOC2)c2ccccc21 ZINC000643910813 384984837 /nfs/dbraw/zinc/98/48/37/384984837.db2.gz DPFLOTPYVLNPBU-WQVCFCJDSA-N 0 3 245.366 3.250 20 0 BGADHN CC(C)(C)CCCn1cc2c(n1)[C@H](N)CCC2 ZINC000644167907 384256659 /nfs/dbraw/zinc/25/66/59/384256659.db2.gz NJTDGDAORLUZLQ-GFCCVEGCSA-N 0 3 235.375 3.046 20 0 BGADHN CC(C)(C)CCCn1cc2c(n1)[C@@H](N)CCC2 ZINC000644167908 384256313 /nfs/dbraw/zinc/25/63/13/384256313.db2.gz NJTDGDAORLUZLQ-LBPRGKRZSA-N 0 3 235.375 3.046 20 0 BGADHN CCc1cccc(COc2ccccc2CN)c1 ZINC000644168689 384267931 /nfs/dbraw/zinc/26/79/31/384267931.db2.gz NIIDXMNHEZFUJD-UHFFFAOYSA-N 0 3 241.334 3.287 20 0 BGADHN c1ccc2oc(CNC(C3CC3)C3CC3)nc2c1 ZINC000644345551 384839703 /nfs/dbraw/zinc/83/97/03/384839703.db2.gz VWTQDJMHEWTBNU-UHFFFAOYSA-N 0 3 242.322 3.106 20 0 BGADHN Cc1cccc(-c2cccc(CN(C)C)c2)n1 ZINC000644615015 385018151 /nfs/dbraw/zinc/01/81/51/385018151.db2.gz GAJSWGJVDUZMQP-UHFFFAOYSA-N 0 3 226.323 3.119 20 0 BGADHN Cc1ccnc(-c2cccc(CN(C)C)c2)c1 ZINC000644615017 385017569 /nfs/dbraw/zinc/01/75/69/385017569.db2.gz GEYIELBBAOCPSE-UHFFFAOYSA-N 0 3 226.323 3.119 20 0 BGADHN Cc1cc(C2CCN(C)CC2)nc2sccc21 ZINC000644620360 385027859 /nfs/dbraw/zinc/02/78/59/385027859.db2.gz LWZNYFNQEUYOLI-UHFFFAOYSA-N 0 3 246.379 3.414 20 0 BGADHN Cc1cc(CN(C2CC2)C2CCCCC2)ncn1 ZINC000644657145 385064592 /nfs/dbraw/zinc/06/45/92/385064592.db2.gz LQBVUWHPLQLEJU-UHFFFAOYSA-N 0 3 245.370 3.082 20 0 BGADHN CCc1nc(C)c(CN(C)CCC(C)C)o1 ZINC000644658593 385069706 /nfs/dbraw/zinc/06/97/06/385069706.db2.gz BAQNRJFMACRFSL-UHFFFAOYSA-N 0 3 224.348 3.023 20 0 BGADHN CCCc1nc(C)c(CN(C)CCC(C)C)o1 ZINC000644658654 385068109 /nfs/dbraw/zinc/06/81/09/385068109.db2.gz ILSUQECXONWTOZ-UHFFFAOYSA-N 0 3 238.375 3.413 20 0 BGADHN CCN(C)C[C@H](OC(C)C)c1ccccc1 ZINC000644662973 385072530 /nfs/dbraw/zinc/07/25/30/385072530.db2.gz WEERRHQRBSJIAW-AWEZNQCLSA-N 0 3 221.344 3.104 20 0 BGADHN CCN(C)C[C@@H](OC(C)C)c1ccccc1 ZINC000644662975 385073800 /nfs/dbraw/zinc/07/38/00/385073800.db2.gz WEERRHQRBSJIAW-CQSZACIVSA-N 0 3 221.344 3.104 20 0 BGADHN CCCc1nc(C)c(CN2CCC[C@@H]2C2CC2)o1 ZINC000644666160 385084356 /nfs/dbraw/zinc/08/43/56/385084356.db2.gz OCKCKNDLZZIQNZ-CYBMUJFWSA-N 0 3 248.370 3.310 20 0 BGADHN CCCc1nc(C)c(CN2CCC[C@H]2C2CC2)o1 ZINC000644666161 385084394 /nfs/dbraw/zinc/08/43/94/385084394.db2.gz OCKCKNDLZZIQNZ-ZDUSSCGKSA-N 0 3 248.370 3.310 20 0 BGADHN CCc1nc(C)c(CN2C3CCCC2CCC3)o1 ZINC000644670065 385087515 /nfs/dbraw/zinc/08/75/15/385087515.db2.gz RECBPYUOWDCTQD-UHFFFAOYSA-N 0 3 248.370 3.452 20 0 BGADHN CCCc1nc(C)c(CN2CCC3(CC3)CC2)o1 ZINC000644679542 385093833 /nfs/dbraw/zinc/09/38/33/385093833.db2.gz RHIFFGHFJXQFLA-UHFFFAOYSA-N 0 3 248.370 3.312 20 0 BGADHN CC(C)O[C@@H](CN1CC=CCC1)c1ccccc1 ZINC000644682186 385096236 /nfs/dbraw/zinc/09/62/36/385096236.db2.gz LQJYEZWJOUBIPE-INIZCTEOSA-N 0 3 245.366 3.415 20 0 BGADHN CC(C)O[C@H](CN1CC=CCC1)c1ccccc1 ZINC000644682187 385095994 /nfs/dbraw/zinc/09/59/94/385095994.db2.gz LQJYEZWJOUBIPE-MRXNPFEDSA-N 0 3 245.366 3.415 20 0 BGADHN Cc1cnc([C@@H](C)N2CCC3(CCC3)CC2)cn1 ZINC000644692452 385111568 /nfs/dbraw/zinc/11/15/68/385111568.db2.gz QDVBGWHVJLNWAJ-CYBMUJFWSA-N 0 3 245.370 3.112 20 0 BGADHN Cc1cnc([C@H](C)N2CCC3(CCC3)CC2)cn1 ZINC000644692453 385111684 /nfs/dbraw/zinc/11/16/84/385111684.db2.gz QDVBGWHVJLNWAJ-ZDUSSCGKSA-N 0 3 245.370 3.112 20 0 BGADHN CCc1nc(C)c(CN2CCC3(CCC3)CC2)o1 ZINC000644692459 385111756 /nfs/dbraw/zinc/11/17/56/385111756.db2.gz ULWGRQQSLCGXNF-UHFFFAOYSA-N 0 3 248.370 3.312 20 0 BGADHN CCOC1(C)CCN([C@H](C)c2ccncc2)CC1 ZINC000644704174 385121559 /nfs/dbraw/zinc/12/15/59/385121559.db2.gz DXIBBEKMUOMZPZ-CYBMUJFWSA-N 0 3 248.370 3.034 20 0 BGADHN CCOC1(C)CCN([C@@H](C)c2ccncc2)CC1 ZINC000644704175 385121490 /nfs/dbraw/zinc/12/14/90/385121490.db2.gz DXIBBEKMUOMZPZ-ZDUSSCGKSA-N 0 3 248.370 3.034 20 0 BGADHN Fc1ccccc1CN1CCC(C2CC2)CC1 ZINC000644718098 385136701 /nfs/dbraw/zinc/13/67/01/385136701.db2.gz DTWOZMWTZQCRNO-UHFFFAOYSA-N 0 3 233.330 3.448 20 0 BGADHN COc1ccc(CN2CCC(C3CC3)CC2)cc1 ZINC000644718264 385136380 /nfs/dbraw/zinc/13/63/80/385136380.db2.gz GKZCLDDXHTTYFB-UHFFFAOYSA-N 0 3 245.366 3.317 20 0 BGADHN Cc1ccnc(CN2CCC(C3CC3)CC2)c1 ZINC000644718266 385135743 /nfs/dbraw/zinc/13/57/43/385135743.db2.gz GLMLPUFWMMDODQ-UHFFFAOYSA-N 0 3 230.355 3.012 20 0 BGADHN Cc1ncsc1CN1CCC(C2CC2)CC1 ZINC000644718720 385137517 /nfs/dbraw/zinc/13/75/17/385137517.db2.gz AAXVNLRZQGJYEO-UHFFFAOYSA-N 0 3 236.384 3.074 20 0 BGADHN FC(F)(F)CCN1CCC(C2CC2)CC1 ZINC000644719018 385138626 /nfs/dbraw/zinc/13/86/26/385138626.db2.gz OLSZXVUXNXTHDX-UHFFFAOYSA-N 0 3 221.266 3.061 20 0 BGADHN Fc1cccc(CN2CCC(C3CC3)CC2)c1 ZINC000644719188 385138484 /nfs/dbraw/zinc/13/84/84/385138484.db2.gz RBWVJHVZEGJHRN-UHFFFAOYSA-N 0 3 233.330 3.448 20 0 BGADHN Fc1ccccc1CCN1CCC(C2CC2)CC1 ZINC000644719364 385138316 /nfs/dbraw/zinc/13/83/16/385138316.db2.gz UANRVXFMCKDKJX-UHFFFAOYSA-N 0 3 247.357 3.490 20 0 BGADHN CCc1nc(C)c(CN2CCC(C3CC3)CC2)o1 ZINC000644719429 385139334 /nfs/dbraw/zinc/13/93/34/385139334.db2.gz VUSMSYSKMBHUDW-UHFFFAOYSA-N 0 3 248.370 3.167 20 0 BGADHN Cc1cccc(CN2CCC(C3CC3)CC2)n1 ZINC000644719672 385138254 /nfs/dbraw/zinc/13/82/54/385138254.db2.gz ZPHKEYJSAMLTCQ-UHFFFAOYSA-N 0 3 230.355 3.012 20 0 BGADHN Fc1ccc(CN2CCC(C3CC3)CC2)cc1 ZINC000644719809 385138334 /nfs/dbraw/zinc/13/83/34/385138334.db2.gz KPAFVSYWGWYBNO-UHFFFAOYSA-N 0 3 233.330 3.448 20 0 BGADHN C[C@H](c1ccncc1)N1CCC(C2CC2)CC1 ZINC000644720149 385138073 /nfs/dbraw/zinc/13/80/73/385138073.db2.gz VFTDKKNDLDBEAG-GFCCVEGCSA-N 0 3 230.355 3.265 20 0 BGADHN C[C@@H](c1ccncc1)N1CCC(C2CC2)CC1 ZINC000644720153 385138549 /nfs/dbraw/zinc/13/85/49/385138549.db2.gz VFTDKKNDLDBEAG-LBPRGKRZSA-N 0 3 230.355 3.265 20 0 BGADHN COc1cccc(CN2CCC(C3CC3)CC2)c1 ZINC000644720205 385137866 /nfs/dbraw/zinc/13/78/66/385137866.db2.gz SAHPHXCVRQKWIA-UHFFFAOYSA-N 0 3 245.366 3.317 20 0 BGADHN C[C@H](c1ccccn1)N1CCC(C2CC2)CC1 ZINC000644720478 385138780 /nfs/dbraw/zinc/13/87/80/385138780.db2.gz ZGILMINZVSMNBO-GFCCVEGCSA-N 0 3 230.355 3.265 20 0 BGADHN C[C@@H](c1ccccn1)N1CCC(C2CC2)CC1 ZINC000644720479 385139046 /nfs/dbraw/zinc/13/90/46/385139046.db2.gz ZGILMINZVSMNBO-LBPRGKRZSA-N 0 3 230.355 3.265 20 0 BGADHN Cc1ccc(CN2CCC(C3CC3)CC2)nc1 ZINC000644720569 385139245 /nfs/dbraw/zinc/13/92/45/385139245.db2.gz MNAKXQNAUPUOHM-UHFFFAOYSA-N 0 3 230.355 3.012 20 0 BGADHN Cc1ccoc1CN(C)CCCOC(C)(C)C ZINC000644781014 385098308 /nfs/dbraw/zinc/09/83/08/385098308.db2.gz UZVKDCYVWDYNMC-UHFFFAOYSA-N 0 3 239.359 3.225 20 0 BGADHN Cc1ccnc(CN(C2CCC2)C2CCC2)c1 ZINC000644784843 385183375 /nfs/dbraw/zinc/18/33/75/385183375.db2.gz KFULUZYHJWKJAW-UHFFFAOYSA-N 0 3 230.355 3.297 20 0 BGADHN Cc1nc(C)c(CN(C2CCC2)C2CCC2)o1 ZINC000644785082 385186592 /nfs/dbraw/zinc/18/65/92/385186592.db2.gz WPXSSXWHHFHDBW-UHFFFAOYSA-N 0 3 234.343 3.198 20 0 BGADHN c1cc2c(cc1CN1CC=CCC1)CCCC2 ZINC000644833370 385741326 /nfs/dbraw/zinc/74/13/26/385741326.db2.gz YRCLSCATSMKMIB-UHFFFAOYSA-N 0 3 227.351 3.327 20 0 BGADHN c1cc2c(cc1CN1CC(C3CC3)C1)CCCC2 ZINC000644834422 385785367 /nfs/dbraw/zinc/78/53/67/385785367.db2.gz RQQFNEHHZFGLFP-UHFFFAOYSA-N 0 3 241.378 3.407 20 0 BGADHN CC(C)N(Cc1cn[nH]c1)[C@H](C)c1ccccc1 ZINC000644834783 385811672 /nfs/dbraw/zinc/81/16/72/385811672.db2.gz ZPZBMNHNNDQBLP-CYBMUJFWSA-N 0 3 243.354 3.381 20 0 BGADHN CC(C)N(Cc1cn[nH]c1)[C@@H](C)c1ccccc1 ZINC000644834784 385812498 /nfs/dbraw/zinc/81/24/98/385812498.db2.gz ZPZBMNHNNDQBLP-ZDUSSCGKSA-N 0 3 243.354 3.381 20 0 BGADHN CC(C)[C@@H]1N(Cc2ccc(O)cc2)CC12CCC2 ZINC000644835243 398082635 /nfs/dbraw/zinc/08/26/35/398082635.db2.gz DFGOQIQHCWQPNX-HNNXBMFYSA-N 0 3 245.366 3.403 20 0 BGADHN CC(C)[C@H]1N(Cc2ccc(O)cc2)CC12CCC2 ZINC000644835244 398082597 /nfs/dbraw/zinc/08/25/97/398082597.db2.gz DFGOQIQHCWQPNX-OAHLLOKOSA-N 0 3 245.366 3.403 20 0 BGADHN COc1ccccc1CN1CCC(C2CC2)CC1 ZINC000644836784 385844058 /nfs/dbraw/zinc/84/40/58/385844058.db2.gz DRSKATNUDRFKOL-UHFFFAOYSA-N 0 3 245.366 3.317 20 0 BGADHN Cc1ccc(CN2CCC(C3CC3)CC2)o1 ZINC000644837086 385848386 /nfs/dbraw/zinc/84/83/86/385848386.db2.gz GTUZOGIGXBEXAK-UHFFFAOYSA-N 0 3 219.328 3.210 20 0 BGADHN COCc1ccc(CN2CCC(C3CC3)CC2)o1 ZINC000644837866 385849894 /nfs/dbraw/zinc/84/98/94/385849894.db2.gz NVENDBVFZMFUJE-UHFFFAOYSA-N 0 3 249.354 3.048 20 0 BGADHN CCc1ccc(CN2CCC(C3CC3)CC2)o1 ZINC000644838607 385854221 /nfs/dbraw/zinc/85/42/21/385854221.db2.gz URSVEIAUGCXNRI-UHFFFAOYSA-N 0 3 233.355 3.464 20 0 BGADHN c1cc(CN2CCC(C3CC3)CC2)cs1 ZINC000644838782 385853794 /nfs/dbraw/zinc/85/37/94/385853794.db2.gz WWGMTURNUAGBIE-UHFFFAOYSA-N 0 3 221.369 3.370 20 0 BGADHN Cc1ccoc1CN1CCC(C2CC2)CC1 ZINC000644839053 385856876 /nfs/dbraw/zinc/85/68/76/385856876.db2.gz YLJPLANNIGVOKL-UHFFFAOYSA-N 0 3 219.328 3.210 20 0 BGADHN Cc1ccc(CN2CCC(C3CC3)CC2)cn1 ZINC000644839093 385857210 /nfs/dbraw/zinc/85/72/10/385857210.db2.gz ZPEAZOVGZXFTAM-UHFFFAOYSA-N 0 3 230.355 3.012 20 0 BGADHN COCC(C)(C)N(C)Cc1cc2ccccc2[nH]1 ZINC000644841380 385880047 /nfs/dbraw/zinc/88/00/47/385880047.db2.gz HNGOBPLUGHHHOX-UHFFFAOYSA-N 0 3 246.354 3.025 20 0 BGADHN CC[C@H]1CCN1Cc1ccc2cnccc2c1 ZINC000644843636 385884824 /nfs/dbraw/zinc/88/48/24/385884824.db2.gz BHVPOOBAPVQBHW-HNNXBMFYSA-N 0 3 226.323 3.219 20 0 BGADHN CC[C@@H]1CCN1Cc1ccc2cnccc2c1 ZINC000644843637 385884787 /nfs/dbraw/zinc/88/47/87/385884787.db2.gz BHVPOOBAPVQBHW-OAHLLOKOSA-N 0 3 226.323 3.219 20 0 BGADHN CC[C@@H]1CCN1Cc1nccc2ccccc21 ZINC000644843687 385884418 /nfs/dbraw/zinc/88/44/18/385884418.db2.gz YQLHRRLMYFYKQU-CYBMUJFWSA-N 0 3 226.323 3.219 20 0 BGADHN CC[C@H]1CCN1Cc1nccc2ccccc21 ZINC000644843688 385884239 /nfs/dbraw/zinc/88/42/39/385884239.db2.gz YQLHRRLMYFYKQU-ZDUSSCGKSA-N 0 3 226.323 3.219 20 0 BGADHN CC[C@@H]1CCN1Cc1cc2ccccc2[nH]1 ZINC000644843691 385884389 /nfs/dbraw/zinc/88/43/89/385884389.db2.gz ZSGDGADLUAYEDY-CYBMUJFWSA-N 0 3 214.312 3.152 20 0 BGADHN CC[C@H]1CCN1Cc1cc2ccccc2[nH]1 ZINC000644843692 385884381 /nfs/dbraw/zinc/88/43/81/385884381.db2.gz ZSGDGADLUAYEDY-ZDUSSCGKSA-N 0 3 214.312 3.152 20 0 BGADHN Cc1cc(F)c(CNC2CC=CC2)c(F)c1 ZINC000644902203 384027605 /nfs/dbraw/zinc/02/76/05/384027605.db2.gz BTVGUFIGUQVTHM-UHFFFAOYSA-N 0 3 223.266 3.081 20 0 BGADHN CC(C)n1cncc1CN1CCC2(CCC2)CC1 ZINC000644903232 410044101 /nfs/dbraw/zinc/04/41/01/410044101.db2.gz BTRUYBZUWNEWSA-UHFFFAOYSA-N 0 3 247.386 3.230 20 0 BGADHN CC(C)n1cncc1CN1CCC(C2CC2)CC1 ZINC000644903686 566293025 /nfs/dbraw/zinc/29/30/25/566293025.db2.gz DBMLHRGKSOFBEV-UHFFFAOYSA-N 0 3 247.386 3.086 20 0 BGADHN CCOc1ccc(CN2CC[C@@H](C)C[C@H]2C)nc1 ZINC000644906091 384030758 /nfs/dbraw/zinc/03/07/58/384030758.db2.gz FWNBGUHIWJIXLU-CHWSQXEVSA-N 0 3 248.370 3.101 20 0 BGADHN C[C@@H]1CCN(Cc2[nH]nc3ccccc32)[C@H](C)C1 ZINC000644906108 384029080 /nfs/dbraw/zinc/02/90/80/384029080.db2.gz QAIOCAJLRIKJOD-VXGBXAGGSA-N 0 3 243.354 3.183 20 0 BGADHN C[C@@H]1CCN(Cc2n[nH]c3ccccc32)[C@H](C)C1 ZINC000644906108 384029074 /nfs/dbraw/zinc/02/90/74/384029074.db2.gz QAIOCAJLRIKJOD-VXGBXAGGSA-N 0 3 243.354 3.183 20 0 BGADHN Cc1ccnc(CN2CC[C@@H](C)C[C@H]2C)c1 ZINC000644951214 386638338 /nfs/dbraw/zinc/63/83/38/386638338.db2.gz VAIZMNJIUANDLC-CHWSQXEVSA-N 0 3 218.344 3.010 20 0 BGADHN COC1(CCN(C)Cc2ccsc2)CCC1 ZINC000645075081 386705504 /nfs/dbraw/zinc/70/55/04/386705504.db2.gz JMYSSOPKUPTXIG-UHFFFAOYSA-N 0 3 239.384 3.139 20 0 BGADHN CCc1ccc(CN(C)CCC(C)C)nc1 ZINC000645077665 386705260 /nfs/dbraw/zinc/70/52/60/386705260.db2.gz AONFDDDBTPMHSJ-UHFFFAOYSA-N 0 3 220.360 3.122 20 0 BGADHN CCN(CCC1(OC)CCC1)Cc1ccoc1 ZINC000645082748 386707664 /nfs/dbraw/zinc/70/76/64/386707664.db2.gz XTMHDDQEKUJYQB-UHFFFAOYSA-N 0 3 237.343 3.061 20 0 BGADHN C[C@@H](CN1C[C@H]2CC[C@@H](C1)O2)C1CCCCC1 ZINC000645089879 386708399 /nfs/dbraw/zinc/70/83/99/386708399.db2.gz UYNYBEKFFQYDOR-AEGPPILISA-N 0 3 237.387 3.066 20 0 BGADHN C[C@H](CN1C[C@H]2CC[C@@H](C1)O2)C1CCCCC1 ZINC000645089882 386706981 /nfs/dbraw/zinc/70/69/81/386706981.db2.gz UYNYBEKFFQYDOR-YUELXQCFSA-N 0 3 237.387 3.066 20 0 BGADHN C[C@H](CN(C)Cc1cn[nH]c1)C1CCCCC1 ZINC000645097600 386714551 /nfs/dbraw/zinc/71/45/51/386714551.db2.gz JAUXXXPGTIUIFZ-GFCCVEGCSA-N 0 3 235.375 3.058 20 0 BGADHN C[C@@H](CN(C)Cc1cn[nH]c1)C1CCCCC1 ZINC000645097601 386714513 /nfs/dbraw/zinc/71/45/13/386714513.db2.gz JAUXXXPGTIUIFZ-LBPRGKRZSA-N 0 3 235.375 3.058 20 0 BGADHN C1=C[C@H](N2CCC3(CCOC3)CC2)CCCCC1 ZINC000645102997 386721167 /nfs/dbraw/zinc/72/11/67/386721167.db2.gz VDAUXWJHTKXNOH-HNNXBMFYSA-N 0 3 249.398 3.378 20 0 BGADHN C1=C[C@@H](N2CCC3(CCOC3)CC2)CCCCC1 ZINC000645103003 386721436 /nfs/dbraw/zinc/72/14/36/386721436.db2.gz VDAUXWJHTKXNOH-OAHLLOKOSA-N 0 3 249.398 3.378 20 0 BGADHN COc1ccc(F)c(CNCCC(C)(C)C)c1 ZINC000645145291 386753380 /nfs/dbraw/zinc/75/33/80/386753380.db2.gz UKXGKBRQOFTLQY-UHFFFAOYSA-N 0 3 239.334 3.360 20 0 BGADHN CCc1ccc(CN2CCC3(CCC3)CC2)nc1 ZINC000645147949 386754039 /nfs/dbraw/zinc/75/40/39/386754039.db2.gz XBKQSIOEYDTZJC-UHFFFAOYSA-N 0 3 244.382 3.410 20 0 BGADHN CCc1ccc(CN2CCC(C3CC3)CC2)nc1 ZINC000645150853 386758934 /nfs/dbraw/zinc/75/89/34/386758934.db2.gz HBRSPLLYONBHOG-UHFFFAOYSA-N 0 3 244.382 3.266 20 0 BGADHN COc1ccc(F)c(CN[C@@H](C)C(C)(C)C)c1 ZINC000645155093 386786722 /nfs/dbraw/zinc/78/67/22/386786722.db2.gz BVMWYQYVRZRKNQ-JTQLQIEISA-N 0 3 239.334 3.359 20 0 BGADHN Cc1nocc1CN[C@H](C)CCC1CCCC1 ZINC000645156732 386791711 /nfs/dbraw/zinc/79/17/11/386791711.db2.gz UCOJOINCPMQHRA-LLVKDONJSA-N 0 3 236.359 3.432 20 0 BGADHN Cc1nocc1CN[C@@H](C)CCC1CCCC1 ZINC000645156733 386792191 /nfs/dbraw/zinc/79/21/91/386792191.db2.gz UCOJOINCPMQHRA-NSHDSACASA-N 0 3 236.359 3.432 20 0 BGADHN CCC1(C)CCC(NCc2conc2C)CC1 ZINC000645161135 386809489 /nfs/dbraw/zinc/80/94/89/386809489.db2.gz XXFUJGMYUTVKTD-UHFFFAOYSA-N 0 3 236.359 3.432 20 0 BGADHN COc1ccc(F)c(CN[C@@H](C)C2CCC2)c1 ZINC000645169676 386829508 /nfs/dbraw/zinc/82/95/08/386829508.db2.gz OTHLLMZJADEOLD-JTQLQIEISA-N 0 3 237.318 3.113 20 0 BGADHN COc1ccc(F)c(CN[C@H](C)C2CCC2)c1 ZINC000645169677 386829608 /nfs/dbraw/zinc/82/96/08/386829608.db2.gz OTHLLMZJADEOLD-SNVBAGLBSA-N 0 3 237.318 3.113 20 0 BGADHN Cc1nocc1CNC1(C)CCC(F)(F)CC1 ZINC000645171976 386838400 /nfs/dbraw/zinc/83/84/00/386838400.db2.gz SUQSBAGLZBNVST-UHFFFAOYSA-N 0 3 244.285 3.041 20 0 BGADHN COc1ccc(F)c(CN[C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000645178497 386845019 /nfs/dbraw/zinc/84/50/19/386845019.db2.gz YAJCAZSOKDDMFS-PSOPSSQASA-N 0 3 249.329 3.113 20 0 BGADHN COc1ccc(F)c(CN[C@H]2CCC[C@H]3C[C@H]32)c1 ZINC000645178498 386844996 /nfs/dbraw/zinc/84/49/96/386844996.db2.gz YAJCAZSOKDDMFS-ZBINZKHDSA-N 0 3 249.329 3.113 20 0 BGADHN CC(F)(F)c1ccc(CNCC2(F)CC2)cc1 ZINC000645183817 386848106 /nfs/dbraw/zinc/84/81/06/386848106.db2.gz OEWQRSBDDLMESM-UHFFFAOYSA-N 0 3 243.272 3.390 20 0 BGADHN CCOCC(C)(C)NCc1cc2ccccc2[nH]1 ZINC000645191522 386852990 /nfs/dbraw/zinc/85/29/90/386852990.db2.gz RSGFYULNANZDTD-UHFFFAOYSA-N 0 3 246.354 3.073 20 0 BGADHN C[C@@H](F)CCNCc1nccc2ccccc21 ZINC000645197800 385609815 /nfs/dbraw/zinc/60/98/15/385609815.db2.gz ADIGUKPVBSKGBZ-LLVKDONJSA-N 0 3 232.302 3.073 20 0 BGADHN C[C@H](F)CCNCc1nccc2ccccc21 ZINC000645197801 385608691 /nfs/dbraw/zinc/60/86/91/385608691.db2.gz ADIGUKPVBSKGBZ-NSHDSACASA-N 0 3 232.302 3.073 20 0 BGADHN CSc1ccc(CN2C[C@@H](C)[C@H]2C)cc1 ZINC000645216019 385677377 /nfs/dbraw/zinc/67/73/77/385677377.db2.gz AGHPWQANTJNYQC-GHMZBOCLSA-N 0 3 221.369 3.249 20 0 BGADHN CSc1ccc(CN2C[C@@H](C)[C@@H]2C)cc1 ZINC000645216023 385676594 /nfs/dbraw/zinc/67/65/94/385676594.db2.gz AGHPWQANTJNYQC-MNOVXSKESA-N 0 3 221.369 3.249 20 0 BGADHN CSc1ccc(CN2C[C@H](C)[C@@H]2C)cc1 ZINC000645216024 385677215 /nfs/dbraw/zinc/67/72/15/385677215.db2.gz AGHPWQANTJNYQC-QWRGUYRKSA-N 0 3 221.369 3.249 20 0 BGADHN CSc1ccc(CN2C[C@H](C)[C@H]2C)cc1 ZINC000645216025 385677911 /nfs/dbraw/zinc/67/79/11/385677911.db2.gz AGHPWQANTJNYQC-WDEREUQCSA-N 0 3 221.369 3.249 20 0 BGADHN Cc1cc(C)cc(OCCN2C[C@H](C)[C@@H]2C)c1 ZINC000645218995 385681842 /nfs/dbraw/zinc/68/18/42/385681842.db2.gz DJBTUBUQCKMAIX-KBPBESRZSA-N 0 3 233.355 3.022 20 0 BGADHN Cc1cc(C)cc(OCCN2C[C@@H](C)[C@@H]2C)c1 ZINC000645218996 385682193 /nfs/dbraw/zinc/68/21/93/385682193.db2.gz DJBTUBUQCKMAIX-KGLIPLIRSA-N 0 3 233.355 3.022 20 0 BGADHN Cc1cc(C)cc(OCCN2C[C@H](C)[C@H]2C)c1 ZINC000645218997 385682416 /nfs/dbraw/zinc/68/24/16/385682416.db2.gz DJBTUBUQCKMAIX-UONOGXRCSA-N 0 3 233.355 3.022 20 0 BGADHN Cc1cc(C)cc(OCCN2C[C@@H](C)[C@H]2C)c1 ZINC000645218998 385681212 /nfs/dbraw/zinc/68/12/12/385681212.db2.gz DJBTUBUQCKMAIX-ZIAGYGMSSA-N 0 3 233.355 3.022 20 0 BGADHN Fc1cccnc1CN[C@H]1CCCC12CCCC2 ZINC000645426693 490370051 /nfs/dbraw/zinc/37/00/51/490370051.db2.gz SQIOFLISWWZOCA-AWEZNQCLSA-N 0 3 248.345 3.423 20 0 BGADHN Fc1cccnc1CN[C@@H]1CCCC12CCCC2 ZINC000645426694 490370269 /nfs/dbraw/zinc/37/02/69/490370269.db2.gz SQIOFLISWWZOCA-CQSZACIVSA-N 0 3 248.345 3.423 20 0 BGADHN CCc1noc(C)c1CN[C@@H](C)CC1CCC1 ZINC000645481400 387050206 /nfs/dbraw/zinc/05/02/06/387050206.db2.gz UDFQGCVNAZNMAP-JTQLQIEISA-N 0 3 236.359 3.214 20 0 BGADHN CCc1noc(C)c1CN[C@H](C)CC1CCC1 ZINC000645481405 387050787 /nfs/dbraw/zinc/05/07/87/387050787.db2.gz UDFQGCVNAZNMAP-SNVBAGLBSA-N 0 3 236.359 3.214 20 0 BGADHN Cc1n[nH]cc1[C@H](C)NC1CC(C(C)(C)C)C1 ZINC000645484061 386423095 /nfs/dbraw/zinc/42/30/95/386423095.db2.gz DNKDVGHXIBXCQT-GCVQQVDUSA-N 0 3 235.375 3.193 20 0 BGADHN Cc1n[nH]cc1[C@@H](C)NC1CC(C(C)(C)C)C1 ZINC000645484062 386421593 /nfs/dbraw/zinc/42/15/93/386421593.db2.gz DNKDVGHXIBXCQT-OIKLOGQESA-N 0 3 235.375 3.193 20 0 BGADHN C[C@@H](F)CCN[C@@H]1CCc2c1cc(F)cc2F ZINC000645491146 386568518 /nfs/dbraw/zinc/56/85/18/386568518.db2.gz HNAWBAWMCUPFAD-AMIZOPFISA-N 0 3 243.272 3.290 20 0 BGADHN C[C@H](F)CCN[C@@H]1CCc2c1cc(F)cc2F ZINC000645491149 386570622 /nfs/dbraw/zinc/57/06/22/386570622.db2.gz HNAWBAWMCUPFAD-ISVAXAHUSA-N 0 3 243.272 3.290 20 0 BGADHN C[C@@H](F)CCN[C@H]1CCc2c1cc(F)cc2F ZINC000645491150 386569806 /nfs/dbraw/zinc/56/98/06/386569806.db2.gz HNAWBAWMCUPFAD-OQPBUACISA-N 0 3 243.272 3.290 20 0 BGADHN C[C@H](F)CCN[C@H]1CCc2c1cc(F)cc2F ZINC000645491151 386568659 /nfs/dbraw/zinc/56/86/59/386568659.db2.gz HNAWBAWMCUPFAD-SDBXPKJASA-N 0 3 243.272 3.290 20 0 BGADHN CC(C)C1(N[C@@H]2CCCc3cccnc32)CC1 ZINC000645494383 386773470 /nfs/dbraw/zinc/77/34/70/386773470.db2.gz YMKLIEYWHNXEEC-CYBMUJFWSA-N 0 3 230.355 3.237 20 0 BGADHN CC(C)C1(N[C@H]2CCCc3cccnc32)CC1 ZINC000645494384 386773283 /nfs/dbraw/zinc/77/32/83/386773283.db2.gz YMKLIEYWHNXEEC-ZDUSSCGKSA-N 0 3 230.355 3.237 20 0 BGADHN F[C@H]1CCC[C@H]1N[C@@H](c1cccnc1)C1CCC1 ZINC000645507412 387386295 /nfs/dbraw/zinc/38/62/95/387386295.db2.gz FOEFHITVLFHERF-RRFJBIMHSA-N 0 3 248.345 3.403 20 0 BGADHN F[C@H]1CCC[C@H]1N[C@H](c1cccnc1)C1CCC1 ZINC000645507413 387386436 /nfs/dbraw/zinc/38/64/36/387386436.db2.gz FOEFHITVLFHERF-ZNMIVQPWSA-N 0 3 248.345 3.403 20 0 BGADHN Fc1ccc2c(c1)CC[C@H]2N[C@@H]1CCC[C@@H]1F ZINC000645507844 387431714 /nfs/dbraw/zinc/43/17/14/387431714.db2.gz XIWFOQWKHCWMGG-BFHYXJOUSA-N 0 3 237.293 3.293 20 0 BGADHN C[C@H]1Cc2ccccc2[C@@H]1N[C@H]1CCC[C@H]1F ZINC000645507895 387416970 /nfs/dbraw/zinc/41/69/70/387416970.db2.gz CJNSHRCCCFBRJB-OADPDTJPSA-N 0 3 233.330 3.400 20 0 BGADHN C[C@H]1Cc2ccccc2[C@H]1N[C@H]1CCC[C@H]1F ZINC000645507896 387416249 /nfs/dbraw/zinc/41/62/49/387416249.db2.gz CJNSHRCCCFBRJB-PUPMMZHASA-N 0 3 233.330 3.400 20 0 BGADHN C[C@@H]1Cc2ccccc2[C@@H]1N[C@H]1CCC[C@H]1F ZINC000645507897 387416714 /nfs/dbraw/zinc/41/67/14/387416714.db2.gz CJNSHRCCCFBRJB-QPKOPYBWSA-N 0 3 233.330 3.400 20 0 BGADHN C[C@@H]1Cc2ccccc2[C@H]1N[C@H]1CCC[C@H]1F ZINC000645507898 387416828 /nfs/dbraw/zinc/41/68/28/387416828.db2.gz CJNSHRCCCFBRJB-RABLLNBGSA-N 0 3 233.330 3.400 20 0 BGADHN FC(F)(F)[C@H]1CCCN(CC2=CCCC2)C1 ZINC000645766920 387889289 /nfs/dbraw/zinc/88/92/89/387889289.db2.gz HYTKUBXFLHFEGA-NSHDSACASA-N 0 3 233.277 3.371 20 0 BGADHN C1=C(CN2CCc3ccccc3C2)CCC1 ZINC000645767069 387889602 /nfs/dbraw/zinc/88/96/02/387889602.db2.gz SWQRIQDZNORNLF-UHFFFAOYSA-N 0 3 213.324 3.155 20 0 BGADHN CN(CC1=CCCC1)Cc1ccc(F)cc1 ZINC000645768320 387891214 /nfs/dbraw/zinc/89/12/14/387891214.db2.gz ODJYFGWADLVUQK-UHFFFAOYSA-N 0 3 219.303 3.368 20 0 BGADHN Cc1cnccc1CCN(C)Cc1ccsc1 ZINC000645769628 387891130 /nfs/dbraw/zinc/89/11/30/387891130.db2.gz APEYPLDNBFILRH-UHFFFAOYSA-N 0 3 246.379 3.126 20 0 BGADHN Cc1cccc(CCN(C)Cc2ccsc2)n1 ZINC000645770645 387891183 /nfs/dbraw/zinc/89/11/83/387891183.db2.gz PMQUCUXGHPVFNX-UHFFFAOYSA-N 0 3 246.379 3.126 20 0 BGADHN CN(Cc1ccsc1)CC1=CCCC1 ZINC000645770926 387893100 /nfs/dbraw/zinc/89/31/00/387893100.db2.gz SWWDYPGYYQQTQV-UHFFFAOYSA-N 0 3 207.342 3.290 20 0 BGADHN c1cc2c(s1)CCN(CC1=CCCC1)C2 ZINC000645771998 387893931 /nfs/dbraw/zinc/89/39/31/387893931.db2.gz WKCMLOHGVDJMMB-UHFFFAOYSA-N 0 3 219.353 3.217 20 0 BGADHN CN(CCOc1ccccc1)CC1=CCCC1 ZINC000645772180 387894584 /nfs/dbraw/zinc/89/45/84/387894584.db2.gz GGYOPICFDYHJSQ-UHFFFAOYSA-N 0 3 231.339 3.108 20 0 BGADHN COc1cccc(CN(C)CC2=CCCC2)c1 ZINC000645772227 387893838 /nfs/dbraw/zinc/89/38/38/387893838.db2.gz KORGJYFMPBEQMC-UHFFFAOYSA-N 0 3 231.339 3.237 20 0 BGADHN CN(Cc1cccs1)CC1=CCCC1 ZINC000645772257 387895411 /nfs/dbraw/zinc/89/54/11/387895411.db2.gz MWGJJTFJCLHSSE-UHFFFAOYSA-N 0 3 207.342 3.290 20 0 BGADHN CN(CC1=CCCC1)Cc1cccc(F)c1 ZINC000645772274 387894118 /nfs/dbraw/zinc/89/41/18/387894118.db2.gz OCRDQIRLEUENNG-UHFFFAOYSA-N 0 3 219.303 3.368 20 0 BGADHN COc1ccccc1CN(C)CC1=CCCC1 ZINC000645772362 387894343 /nfs/dbraw/zinc/89/43/43/387894343.db2.gz VGPCRUVIUQNUKL-UHFFFAOYSA-N 0 3 231.339 3.237 20 0 BGADHN CN(CC1=CCCC1)Cc1ccccc1 ZINC000645772372 387893826 /nfs/dbraw/zinc/89/38/26/387893826.db2.gz VQZXDPSHESZTRJ-UHFFFAOYSA-N 0 3 201.313 3.229 20 0 BGADHN COc1ccc(CN(C)CC2=CCCC2)cc1 ZINC000645772664 387895460 /nfs/dbraw/zinc/89/54/60/387895460.db2.gz BIWZTXOFQAGSIK-UHFFFAOYSA-N 0 3 231.339 3.237 20 0 BGADHN Fc1cccc(F)c1CCN1C2CCC1CC2 ZINC000645775223 387898337 /nfs/dbraw/zinc/89/83/37/387898337.db2.gz UKYUVNRTFGRPPT-UHFFFAOYSA-N 0 3 237.293 3.134 20 0 BGADHN Cc1cc([C@H]2CCCN2CC2=CCCC2)on1 ZINC000645778304 387903228 /nfs/dbraw/zinc/90/32/28/387903228.db2.gz FYMRPHFYRNPUGL-CYBMUJFWSA-N 0 3 232.327 3.230 20 0 BGADHN Cc1cc([C@@H]2CCCN2CC2=CCCC2)on1 ZINC000645778305 387903687 /nfs/dbraw/zinc/90/36/87/387903687.db2.gz FYMRPHFYRNPUGL-ZDUSSCGKSA-N 0 3 232.327 3.230 20 0 BGADHN CC(C)N(CC1=CCCC1)Cc1ccccn1 ZINC000645778592 387905173 /nfs/dbraw/zinc/90/51/73/387905173.db2.gz CDIQTMKDYLIQMK-UHFFFAOYSA-N 0 3 230.355 3.402 20 0 BGADHN Cc1occc1CN(C)CC1=CCCC1 ZINC000645780930 387905976 /nfs/dbraw/zinc/90/59/76/387905976.db2.gz JAEMSFODDKRLTC-UHFFFAOYSA-N 0 3 205.301 3.130 20 0 BGADHN COc1ccc2c(c1)CN(CC1=CCCC1)CC2 ZINC000645781128 387906876 /nfs/dbraw/zinc/90/68/76/387906876.db2.gz CFMHEOIDLJCKHQ-UHFFFAOYSA-N 0 3 243.350 3.164 20 0 BGADHN C[C@H](c1ccco1)N(C)CC1=CCCC1 ZINC000645783056 387908593 /nfs/dbraw/zinc/90/85/93/387908593.db2.gz DOVUZNYJCKPDDX-LLVKDONJSA-N 0 3 205.301 3.383 20 0 BGADHN C[C@@H](c1ccco1)N(C)CC1=CCCC1 ZINC000645783057 387908126 /nfs/dbraw/zinc/90/81/26/387908126.db2.gz DOVUZNYJCKPDDX-NSHDSACASA-N 0 3 205.301 3.383 20 0 BGADHN C[C@H](c1ccco1)N(C)CCC[C@@H]1CCOC1 ZINC000645783296 387908146 /nfs/dbraw/zinc/90/81/46/387908146.db2.gz NVMDYKHVQXIUGN-CHWSQXEVSA-N 0 3 237.343 3.089 20 0 BGADHN C[C@H](c1ccco1)N(C)CCC[C@H]1CCOC1 ZINC000645783297 387908507 /nfs/dbraw/zinc/90/85/07/387908507.db2.gz NVMDYKHVQXIUGN-OLZOCXBDSA-N 0 3 237.343 3.089 20 0 BGADHN C[C@@H](c1ccco1)N(C)CCC[C@@H]1CCOC1 ZINC000645783298 387908003 /nfs/dbraw/zinc/90/80/03/387908003.db2.gz NVMDYKHVQXIUGN-QWHCGFSZSA-N 0 3 237.343 3.089 20 0 BGADHN C[C@@H](c1ccco1)N(C)CCC[C@H]1CCOC1 ZINC000645783299 387908313 /nfs/dbraw/zinc/90/83/13/387908313.db2.gz NVMDYKHVQXIUGN-STQMWFEESA-N 0 3 237.343 3.089 20 0 BGADHN CCN(CCC(F)(F)F)CC1=CCCC1 ZINC000645789376 387913827 /nfs/dbraw/zinc/91/38/27/387913827.db2.gz TZAJISBXYBHBRI-UHFFFAOYSA-N 0 3 221.266 3.371 20 0 BGADHN CCN(Cc1ccoc1)CC1=CCCC1 ZINC000645789983 387913786 /nfs/dbraw/zinc/91/37/86/387913786.db2.gz HLZLNQMFIQWLFM-UHFFFAOYSA-N 0 3 205.301 3.212 20 0 BGADHN CCN(CCc1ccncc1C)Cc1ccoc1 ZINC000645790054 387913449 /nfs/dbraw/zinc/91/34/49/387913449.db2.gz NQKJGOIBOKNBIM-UHFFFAOYSA-N 0 3 244.338 3.048 20 0 BGADHN CCN(CCc1cccc(C)n1)Cc1ccoc1 ZINC000645790180 387913755 /nfs/dbraw/zinc/91/37/55/387913755.db2.gz XWROEJSNYNDRLF-UHFFFAOYSA-N 0 3 244.338 3.048 20 0 BGADHN COc1ccccc1CCN(C)CC1=CCCC1 ZINC000645792934 387917084 /nfs/dbraw/zinc/91/70/84/387917084.db2.gz HYSVTSPQBQFYSW-UHFFFAOYSA-N 0 3 245.366 3.280 20 0 BGADHN C1=C(CN2CCOC3(CCCCC3)C2)CCC1 ZINC000645808481 387960306 /nfs/dbraw/zinc/96/03/06/387960306.db2.gz RRVVOAWQJUSSCT-UHFFFAOYSA-N 0 3 235.371 3.132 20 0 BGADHN CN(CC1=CCCC1)[C@@H](CCO)c1ccccc1 ZINC000645808690 387955993 /nfs/dbraw/zinc/95/59/93/387955993.db2.gz DHDRHRGICDJMPT-INIZCTEOSA-N 0 3 245.366 3.152 20 0 BGADHN CN(CC1=CCCC1)[C@H](CCO)c1ccccc1 ZINC000645808691 387956327 /nfs/dbraw/zinc/95/63/27/387956327.db2.gz DHDRHRGICDJMPT-MRXNPFEDSA-N 0 3 245.366 3.152 20 0 BGADHN FC(F)(F)C1CCN(CC2=CCCC2)CC1 ZINC000645810942 387962922 /nfs/dbraw/zinc/96/29/22/387962922.db2.gz LNHHOXZSIXBYBU-UHFFFAOYSA-N 0 3 233.277 3.371 20 0 BGADHN C[C@@H]1c2ccccc2CN1CCC[C@H]1CCOC1 ZINC000645811264 387964466 /nfs/dbraw/zinc/96/44/66/387964466.db2.gz BZEAICZKXSTAEG-KGLIPLIRSA-N 0 3 245.366 3.380 20 0 BGADHN C[C@@H]1c2ccccc2CN1CCC[C@@H]1CCOC1 ZINC000645811265 387963876 /nfs/dbraw/zinc/96/38/76/387963876.db2.gz BZEAICZKXSTAEG-ZIAGYGMSSA-N 0 3 245.366 3.380 20 0 BGADHN c1ccc([C@H]2CCN2CCC[C@@H]2CCOC2)cc1 ZINC000645812231 387976651 /nfs/dbraw/zinc/97/66/51/387976651.db2.gz VRXOZYVPLBGYFZ-GDBMZVCRSA-N 0 3 245.366 3.250 20 0 BGADHN c1ccc([C@H]2CCN2CCC[C@H]2CCOC2)cc1 ZINC000645812232 387976119 /nfs/dbraw/zinc/97/61/19/387976119.db2.gz VRXOZYVPLBGYFZ-GOEBONIOSA-N 0 3 245.366 3.250 20 0 BGADHN c1ccc([C@@H]2CCN2CCC[C@H]2CCOC2)cc1 ZINC000645812233 387976733 /nfs/dbraw/zinc/97/67/33/387976733.db2.gz VRXOZYVPLBGYFZ-HOCLYGCPSA-N 0 3 245.366 3.250 20 0 BGADHN c1ccc([C@@H]2CCN2CCC[C@@H]2CCOC2)cc1 ZINC000645812234 387975802 /nfs/dbraw/zinc/97/58/02/387975802.db2.gz VRXOZYVPLBGYFZ-ZBFHGGJFSA-N 0 3 245.366 3.250 20 0 BGADHN CN1CCN(CC2=CCCC2)C2(CCCCC2)C1 ZINC000645812649 387978517 /nfs/dbraw/zinc/97/85/17/387978517.db2.gz ZSNNGGNEYVUIAJ-UHFFFAOYSA-N 0 3 248.414 3.047 20 0 BGADHN C1=C(CN2CCC[C@H]2c2ccccn2)CCC1 ZINC000645813468 387980350 /nfs/dbraw/zinc/98/03/50/387980350.db2.gz TYEOLQQJZJWUIM-HNNXBMFYSA-N 0 3 228.339 3.329 20 0 BGADHN C1=C(CN2CCC[C@@H]2c2ccccn2)CCC1 ZINC000645813469 387979299 /nfs/dbraw/zinc/97/92/99/387979299.db2.gz TYEOLQQJZJWUIM-OAHLLOKOSA-N 0 3 228.339 3.329 20 0 BGADHN CN(CCOCc1ccccc1)CC1=CCCC1 ZINC000645814059 387986178 /nfs/dbraw/zinc/98/61/78/387986178.db2.gz PVWXGIIGRHMEOM-UHFFFAOYSA-N 0 3 245.366 3.245 20 0 BGADHN CCN(CC1=CCCC1)Cc1ccccn1 ZINC000645814289 387990429 /nfs/dbraw/zinc/99/04/29/387990429.db2.gz DUNSVRBVONFERB-UHFFFAOYSA-N 0 3 216.328 3.014 20 0 BGADHN CC(C)(C)OC1CCN(CC2=CCCC2)CC1 ZINC000645814319 387990314 /nfs/dbraw/zinc/99/03/14/387990314.db2.gz HFDFYDYZBMQBSR-UHFFFAOYSA-N 0 3 237.387 3.376 20 0 BGADHN C1=C(CN2CCN(C3CCCCC3)CC2)CCC1 ZINC000645816033 387996444 /nfs/dbraw/zinc/99/64/44/387996444.db2.gz KFJKJYYEUDWLJO-UHFFFAOYSA-N 0 3 248.414 3.047 20 0 BGADHN FC(F)C1CCN(CC2=CCCC2)CC1 ZINC000645816457 387997960 /nfs/dbraw/zinc/99/79/60/387997960.db2.gz ZMLWBBJGAZEFQA-UHFFFAOYSA-N 0 3 215.287 3.074 20 0 BGADHN c1c[nH]c([C@@H]2CCCN2CC2=CCCC2)c1 ZINC000645819922 388009101 /nfs/dbraw/zinc/00/91/01/388009101.db2.gz VWFZRUJFVCFMBK-AWEZNQCLSA-N 0 3 216.328 3.262 20 0 BGADHN c1c[nH]c([C@H]2CCCN2CC2=CCCC2)c1 ZINC000645819923 388009053 /nfs/dbraw/zinc/00/90/53/388009053.db2.gz VWFZRUJFVCFMBK-CQSZACIVSA-N 0 3 216.328 3.262 20 0 BGADHN C[C@H](c1cccc(O)c1)N(C)CC1=CCCC1 ZINC000645827694 388037764 /nfs/dbraw/zinc/03/77/64/388037764.db2.gz DAOUFHBZXRDPKD-GFCCVEGCSA-N 0 3 231.339 3.495 20 0 BGADHN C[C@@H](c1cccc(O)c1)N(C)CC1=CCCC1 ZINC000645827695 388037756 /nfs/dbraw/zinc/03/77/56/388037756.db2.gz DAOUFHBZXRDPKD-LBPRGKRZSA-N 0 3 231.339 3.495 20 0 BGADHN CN(C)c1cccc(CN(C)CC2=CCCC2)c1 ZINC000645837554 387762688 /nfs/dbraw/zinc/76/26/88/387762688.db2.gz JOADKRCCRNNMQT-UHFFFAOYSA-N 0 3 244.382 3.295 20 0 BGADHN CCN(CCc1nccs1)CC1=CCCC1 ZINC000645839236 387784876 /nfs/dbraw/zinc/78/48/76/387784876.db2.gz ATTUEBQBYZEGMX-UHFFFAOYSA-N 0 3 236.384 3.118 20 0 BGADHN Cc1cnc(CCN(C)CC2=CCCC2)s1 ZINC000645840427 387787164 /nfs/dbraw/zinc/78/71/64/387787164.db2.gz ZRWCCPZSYDODCP-UHFFFAOYSA-N 0 3 236.384 3.036 20 0 BGADHN C1=C(CN(Cc2ccncc2)C2CC2)CCC1 ZINC000645841705 387792302 /nfs/dbraw/zinc/79/23/02/387792302.db2.gz DQMXLLXRNFIBSS-UHFFFAOYSA-N 0 3 228.339 3.156 20 0 BGADHN C1=C(CN2CCC[C@H]2c2cccnc2)CCC1 ZINC000645841775 387791664 /nfs/dbraw/zinc/79/16/64/387791664.db2.gz KUNIEKHXCCMZTN-HNNXBMFYSA-N 0 3 228.339 3.329 20 0 BGADHN C1=C(CN2CCC[C@@H]2c2cccnc2)CCC1 ZINC000645841776 387791739 /nfs/dbraw/zinc/79/17/39/387791739.db2.gz KUNIEKHXCCMZTN-OAHLLOKOSA-N 0 3 228.339 3.329 20 0 BGADHN C1=C(CN2CCC[C@H]2c2ccncc2)CCC1 ZINC000645841852 387791862 /nfs/dbraw/zinc/79/18/62/387791862.db2.gz RCBBSSZKHLQFPV-HNNXBMFYSA-N 0 3 228.339 3.329 20 0 BGADHN C1=C(CN2CCC[C@@H]2c2ccncc2)CCC1 ZINC000645841853 387791981 /nfs/dbraw/zinc/79/19/81/387791981.db2.gz RCBBSSZKHLQFPV-OAHLLOKOSA-N 0 3 228.339 3.329 20 0 BGADHN C1=C(CN(Cc2cccnc2)C2CC2)CCC1 ZINC000645841919 387791851 /nfs/dbraw/zinc/79/18/51/387791851.db2.gz WFJNIIZINZWHER-UHFFFAOYSA-N 0 3 228.339 3.156 20 0 BGADHN C[C@H](c1cccnc1)N(C)CC1=CCCC1 ZINC000645842024 387793612 /nfs/dbraw/zinc/79/36/12/387793612.db2.gz CSASDAMIMTYMCI-GFCCVEGCSA-N 0 3 216.328 3.185 20 0 BGADHN C[C@@H](c1cccnc1)N(C)CC1=CCCC1 ZINC000645842025 387793459 /nfs/dbraw/zinc/79/34/59/387793459.db2.gz CSASDAMIMTYMCI-LBPRGKRZSA-N 0 3 216.328 3.185 20 0 BGADHN C[C@H](c1ccncc1)N(C)CC1=CCCC1 ZINC000645842060 387794439 /nfs/dbraw/zinc/79/44/39/387794439.db2.gz HJGLFONFBWWWNJ-GFCCVEGCSA-N 0 3 216.328 3.185 20 0 BGADHN C[C@@H](c1ccncc1)N(C)CC1=CCCC1 ZINC000645842061 387793737 /nfs/dbraw/zinc/79/37/37/387793737.db2.gz HJGLFONFBWWWNJ-LBPRGKRZSA-N 0 3 216.328 3.185 20 0 BGADHN C[C@H](c1ccccn1)N(C)CC1=CCCC1 ZINC000645842152 387796452 /nfs/dbraw/zinc/79/64/52/387796452.db2.gz VOMBUVDQXKEKSG-GFCCVEGCSA-N 0 3 216.328 3.185 20 0 BGADHN C[C@@H](c1ccccn1)N(C)CC1=CCCC1 ZINC000645842153 387796151 /nfs/dbraw/zinc/79/61/51/387796151.db2.gz VOMBUVDQXKEKSG-LBPRGKRZSA-N 0 3 216.328 3.185 20 0 BGADHN c1cc2c(s1)CN(CC1=CCCC1)CC2 ZINC000645842401 387798485 /nfs/dbraw/zinc/79/84/85/387798485.db2.gz NKQFAIPHBYQPOO-UHFFFAOYSA-N 0 3 219.353 3.217 20 0 BGADHN Cc1n[nH]c(C)c1[C@@H]1CCCN1CC1=CCCC1 ZINC000645842513 387798886 /nfs/dbraw/zinc/79/88/86/387798886.db2.gz VVZCJGVTIWUCIU-AWEZNQCLSA-N 0 3 245.370 3.274 20 0 BGADHN Cc1n[nH]c(C)c1[C@H]1CCCN1CC1=CCCC1 ZINC000645842514 387799038 /nfs/dbraw/zinc/79/90/38/387799038.db2.gz VVZCJGVTIWUCIU-CQSZACIVSA-N 0 3 245.370 3.274 20 0 BGADHN CCN(CC1=CCCC1)Cc1ccncc1 ZINC000645844193 387808139 /nfs/dbraw/zinc/80/81/39/387808139.db2.gz RVCOTTMSZCGOLD-UHFFFAOYSA-N 0 3 216.328 3.014 20 0 BGADHN C[C@@H](NCC1=CCCC1)c1ccc2c(c1)OCO2 ZINC000645846169 387848534 /nfs/dbraw/zinc/84/85/34/387848534.db2.gz QYIKVLXFMOURES-LLVKDONJSA-N 0 3 245.322 3.176 20 0 BGADHN C[C@H](NCC1=CCCC1)c1ccc2c(c1)OCO2 ZINC000645846170 387848487 /nfs/dbraw/zinc/84/84/87/387848487.db2.gz QYIKVLXFMOURES-NSHDSACASA-N 0 3 245.322 3.176 20 0 BGADHN COc1ccc(C2(NCC3=CCCC3)CC2)cc1 ZINC000645847054 387854547 /nfs/dbraw/zinc/85/45/47/387854547.db2.gz BTIITLVMHXBBFW-UHFFFAOYSA-N 0 3 243.350 3.384 20 0 BGADHN OCCC[C@H](NCC1=CCCC1)c1ccccc1 ZINC000645847131 387854491 /nfs/dbraw/zinc/85/44/91/387854491.db2.gz LFDJRZGEHMCPAX-INIZCTEOSA-N 0 3 245.366 3.200 20 0 BGADHN OCCC[C@@H](NCC1=CCCC1)c1ccccc1 ZINC000645847132 387854688 /nfs/dbraw/zinc/85/46/88/387854688.db2.gz LFDJRZGEHMCPAX-MRXNPFEDSA-N 0 3 245.366 3.200 20 0 BGADHN C1=C(CNC2(c3ccccc3)CC2)CCC1 ZINC000645847151 387855192 /nfs/dbraw/zinc/85/51/92/387855192.db2.gz ONMLCYMGTNVNDK-UHFFFAOYSA-N 0 3 213.324 3.376 20 0 BGADHN COC[C@H](NCC1=CCCC1)c1ccccc1 ZINC000645847189 387855357 /nfs/dbraw/zinc/85/53/57/387855357.db2.gz SVSDCALVQLXIRU-HNNXBMFYSA-N 0 3 231.339 3.074 20 0 BGADHN COC[C@@H](NCC1=CCCC1)c1ccccc1 ZINC000645847190 387855697 /nfs/dbraw/zinc/85/56/97/387855697.db2.gz SVSDCALVQLXIRU-OAHLLOKOSA-N 0 3 231.339 3.074 20 0 BGADHN Cn1cc([C@H](NCC2=CCCC2)C(C)(C)C)cn1 ZINC000645847392 387852205 /nfs/dbraw/zinc/85/22/05/387852205.db2.gz MDMKGTHEJHTSHZ-AWEZNQCLSA-N 0 3 247.386 3.207 20 0 BGADHN Cn1cc([C@@H](NCC2=CCCC2)C(C)(C)C)cn1 ZINC000645847393 387852155 /nfs/dbraw/zinc/85/21/55/387852155.db2.gz MDMKGTHEJHTSHZ-CQSZACIVSA-N 0 3 247.386 3.207 20 0 BGADHN COc1cccc(C2(NCC3=CCCC3)CC2)c1 ZINC000645847397 387851643 /nfs/dbraw/zinc/85/16/43/387851643.db2.gz NHPXGLCJLBYCRN-UHFFFAOYSA-N 0 3 243.350 3.384 20 0 BGADHN Cc1ccncc1[C@@H](C)NCC1=CCCC1 ZINC000645852956 387870204 /nfs/dbraw/zinc/87/02/04/387870204.db2.gz GJMAHLQUFVPENI-GFCCVEGCSA-N 0 3 216.328 3.151 20 0 BGADHN Cc1ccncc1[C@H](C)NCC1=CCCC1 ZINC000645852957 387870279 /nfs/dbraw/zinc/87/02/79/387870279.db2.gz GJMAHLQUFVPENI-LBPRGKRZSA-N 0 3 216.328 3.151 20 0 BGADHN C1=C(CN[C@H](c2cccnc2)C2CC2)CCC1 ZINC000645852975 387871316 /nfs/dbraw/zinc/87/13/16/387871316.db2.gz HIJOZADQYWSTRU-HNNXBMFYSA-N 0 3 228.339 3.233 20 0 BGADHN C1=C(CN[C@@H](c2cccnc2)C2CC2)CCC1 ZINC000645852976 387870774 /nfs/dbraw/zinc/87/07/74/387870774.db2.gz HIJOZADQYWSTRU-OAHLLOKOSA-N 0 3 228.339 3.233 20 0 BGADHN CCc1cnccc1[C@@H](C)NCC1=CCCC1 ZINC000645852996 387870637 /nfs/dbraw/zinc/87/06/37/387870637.db2.gz KGGUXEVPUKDRCZ-GFCCVEGCSA-N 0 3 230.355 3.405 20 0 BGADHN CCc1cnccc1[C@H](C)NCC1=CCCC1 ZINC000645852997 387870607 /nfs/dbraw/zinc/87/06/07/387870607.db2.gz KGGUXEVPUKDRCZ-LBPRGKRZSA-N 0 3 230.355 3.405 20 0 BGADHN COc1cccc2c1CCN(CC1=CCCC1)C2 ZINC000645853088 387871103 /nfs/dbraw/zinc/87/11/03/387871103.db2.gz QIWVLFANILSBTK-UHFFFAOYSA-N 0 3 243.350 3.164 20 0 BGADHN C[C@H](CN(C)CC1=CCCC1)c1nccs1 ZINC000645853502 387870423 /nfs/dbraw/zinc/87/04/23/387870423.db2.gz UAOFBTKHFUKJPH-LLVKDONJSA-N 0 3 236.384 3.289 20 0 BGADHN C[C@@H](CN(C)CC1=CCCC1)c1nccs1 ZINC000645853503 387870198 /nfs/dbraw/zinc/87/01/98/387870198.db2.gz UAOFBTKHFUKJPH-NSHDSACASA-N 0 3 236.384 3.289 20 0 BGADHN CC[C@H](NCC1=CCCC1)c1c(C)nn(C)c1C ZINC000645853675 387872231 /nfs/dbraw/zinc/87/22/31/387872231.db2.gz CLXZVDPBTCGZIZ-AWEZNQCLSA-N 0 3 247.386 3.188 20 0 BGADHN CC[C@@H](NCC1=CCCC1)c1c(C)nn(C)c1C ZINC000645853676 387872421 /nfs/dbraw/zinc/87/24/21/387872421.db2.gz CLXZVDPBTCGZIZ-CQSZACIVSA-N 0 3 247.386 3.188 20 0 BGADHN COCC[C@@H](NCC1=CCCC1)c1ccco1 ZINC000645853856 387872842 /nfs/dbraw/zinc/87/28/42/387872842.db2.gz JIUGGJKIGLAWHY-CYBMUJFWSA-N 0 3 235.327 3.057 20 0 BGADHN COCC[C@H](NCC1=CCCC1)c1ccco1 ZINC000645853857 387872097 /nfs/dbraw/zinc/87/20/97/387872097.db2.gz JIUGGJKIGLAWHY-ZDUSSCGKSA-N 0 3 235.327 3.057 20 0 BGADHN CC[C@@H](NCC1=CCCC1)c1c(C)noc1C ZINC000645854476 387872469 /nfs/dbraw/zinc/87/24/69/387872469.db2.gz JQSBTLFNVGVCTJ-CYBMUJFWSA-N 0 3 234.343 3.442 20 0 BGADHN CC[C@H](NCC1=CCCC1)c1c(C)noc1C ZINC000645854477 387872942 /nfs/dbraw/zinc/87/29/42/387872942.db2.gz JQSBTLFNVGVCTJ-ZDUSSCGKSA-N 0 3 234.343 3.442 20 0 BGADHN CC(C)n1cc([C@@H](C)NCC2=CCCC2)cn1 ZINC000645855828 387874619 /nfs/dbraw/zinc/87/46/19/387874619.db2.gz WJVAUJRWBRZTQJ-GFCCVEGCSA-N 0 3 233.359 3.225 20 0 BGADHN CC(C)n1cc([C@H](C)NCC2=CCCC2)cn1 ZINC000645855829 387873921 /nfs/dbraw/zinc/87/39/21/387873921.db2.gz WJVAUJRWBRZTQJ-LBPRGKRZSA-N 0 3 233.359 3.225 20 0 BGADHN Cc1cnc(CCN[C@H](C)c2ccoc2)c(C)c1 ZINC000645856194 387877248 /nfs/dbraw/zinc/87/72/48/387877248.db2.gz OSSQZVQLZQTCOT-CYBMUJFWSA-N 0 3 244.338 3.185 20 0 BGADHN Cc1cnc(CCN[C@@H](C)c2ccoc2)c(C)c1 ZINC000645856195 387877757 /nfs/dbraw/zinc/87/77/57/387877757.db2.gz OSSQZVQLZQTCOT-ZDUSSCGKSA-N 0 3 244.338 3.185 20 0 BGADHN Cc1ccc(C(C)(C)NCC2=CCCC2)cn1 ZINC000645857712 387876544 /nfs/dbraw/zinc/87/65/44/387876544.db2.gz UANMBTRPQLFCCN-UHFFFAOYSA-N 0 3 230.355 3.325 20 0 BGADHN Oc1cccc2c1CCC[C@@H]2NCC1=CCCC1 ZINC000645888718 388001669 /nfs/dbraw/zinc/00/16/69/388001669.db2.gz DLQWHBMKUPZFCS-HNNXBMFYSA-N 0 3 243.350 3.470 20 0 BGADHN Oc1cccc2c1CCC[C@H]2NCC1=CCCC1 ZINC000645888719 388003368 /nfs/dbraw/zinc/00/33/68/388003368.db2.gz DLQWHBMKUPZFCS-OAHLLOKOSA-N 0 3 243.350 3.470 20 0 BGADHN CCn1ccc(CN(C)CC2=CCCC2)c1 ZINC000645889118 388003477 /nfs/dbraw/zinc/00/34/77/388003477.db2.gz VBFUJTNCBPALLH-UHFFFAOYSA-N 0 3 218.344 3.050 20 0 BGADHN FC(F)(F)C[C@H]1CCN(CC2=CCCC2)C1 ZINC000645892375 388023293 /nfs/dbraw/zinc/02/32/93/388023293.db2.gz BGIIUYGDLPNWON-LLVKDONJSA-N 0 3 233.277 3.371 20 0 BGADHN FC(F)(F)C[C@@H]1CCN(CC2=CCCC2)C1 ZINC000645892376 388023251 /nfs/dbraw/zinc/02/32/51/388023251.db2.gz BGIIUYGDLPNWON-NSHDSACASA-N 0 3 233.277 3.371 20 0 BGADHN C[C@H]1[C@H](C(F)(F)F)CCN1CC1=CCCC1 ZINC000645895642 397949665 /nfs/dbraw/zinc/94/96/65/397949665.db2.gz GJYKGKJTIFQPAK-GXSJLCMTSA-N 0 3 233.277 3.369 20 0 BGADHN C[C@@H]1[C@@H](C(F)(F)F)CCN1CC1=CCCC1 ZINC000645895643 397949506 /nfs/dbraw/zinc/94/95/06/397949506.db2.gz GJYKGKJTIFQPAK-KOLCDFICSA-N 0 3 233.277 3.369 20 0 BGADHN C[C@@H]1[C@H](C(F)(F)F)CCN1CC1=CCCC1 ZINC000645895644 411309327 /nfs/dbraw/zinc/30/93/27/411309327.db2.gz GJYKGKJTIFQPAK-MWLCHTKSSA-N 0 3 233.277 3.369 20 0 BGADHN C[C@H]1[C@@H](C(F)(F)F)CCN1CC1=CCCC1 ZINC000645895645 411308756 /nfs/dbraw/zinc/30/87/56/411308756.db2.gz GJYKGKJTIFQPAK-ONGXEEELSA-N 0 3 233.277 3.369 20 0 BGADHN Cn1nccc1[C@@H]1CCCCN1CC1=CCCC1 ZINC000645897088 388057416 /nfs/dbraw/zinc/05/74/16/388057416.db2.gz UCEDFJNZZPWFLI-HNNXBMFYSA-N 0 3 245.370 3.057 20 0 BGADHN Cn1nccc1[C@H]1CCCCN1CC1=CCCC1 ZINC000645897090 388057485 /nfs/dbraw/zinc/05/74/85/388057485.db2.gz UCEDFJNZZPWFLI-OAHLLOKOSA-N 0 3 245.370 3.057 20 0 BGADHN Cc1n[nH]cc1C1CCN(CC2=CCCC2)CC1 ZINC000645899538 388078311 /nfs/dbraw/zinc/07/83/11/388078311.db2.gz UUWPCNVGIDKFAP-UHFFFAOYSA-N 0 3 245.370 3.008 20 0 BGADHN c1coc(C2=CCCN(CC3=CCCC3)C2)c1 ZINC000645908450 388153170 /nfs/dbraw/zinc/15/31/70/388153170.db2.gz ISUUXEQHINMWPK-UHFFFAOYSA-N 0 3 229.323 3.479 20 0 BGADHN Cc1noc(C)c1C(C)(C)NCC1=CCCC1 ZINC000645913599 388251235 /nfs/dbraw/zinc/25/12/35/388251235.db2.gz WOUZNLLYRSIMHE-UHFFFAOYSA-N 0 3 234.343 3.226 20 0 BGADHN C1=C(CN2CCC=C(c3cccnc3)C2)CCC1 ZINC000645914434 388252168 /nfs/dbraw/zinc/25/21/68/388252168.db2.gz KBBLYSJVVOJORT-UHFFFAOYSA-N 0 3 240.350 3.281 20 0 BGADHN c1cc2c(o1)CCCN(CC1=CCCC1)C2 ZINC000645918330 388257661 /nfs/dbraw/zinc/25/76/61/388257661.db2.gz QPGWSGBVEYXHCY-UHFFFAOYSA-N 0 3 217.312 3.138 20 0 BGADHN C[C@H]1CN(CC2=CCCC2)CCC1(F)F ZINC000645918512 388257595 /nfs/dbraw/zinc/25/75/95/388257595.db2.gz WAZDZKBNIVSCFD-JTQLQIEISA-N 0 3 215.287 3.074 20 0 BGADHN C[C@@H]1CN(CC2=CCCC2)CCC1(F)F ZINC000645918513 388257535 /nfs/dbraw/zinc/25/75/35/388257535.db2.gz WAZDZKBNIVSCFD-SNVBAGLBSA-N 0 3 215.287 3.074 20 0 BGADHN C1=C(CN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)CCC1 ZINC000645918822 388259607 /nfs/dbraw/zinc/25/96/07/388259607.db2.gz BLSALULKJCPAMX-CABCVRRESA-N 0 3 247.382 3.130 20 0 BGADHN C1=C(CN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)CCC1 ZINC000645918823 388259589 /nfs/dbraw/zinc/25/95/89/388259589.db2.gz BLSALULKJCPAMX-GJZGRUSLSA-N 0 3 247.382 3.130 20 0 BGADHN C1=C(CN2CC3(CCC3)[C@H]2[C@H]2CCCO2)CCC1 ZINC000645918824 388259625 /nfs/dbraw/zinc/25/96/25/388259625.db2.gz BLSALULKJCPAMX-HUUCEWRRSA-N 0 3 247.382 3.130 20 0 BGADHN C1=C(CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)CCC1 ZINC000645918825 388259599 /nfs/dbraw/zinc/25/95/99/388259599.db2.gz BLSALULKJCPAMX-LSDHHAIUSA-N 0 3 247.382 3.130 20 0 BGADHN C[C@]12CCN(CC3=CCCC3)C[C@H]1C2(F)F ZINC000645921828 387756536 /nfs/dbraw/zinc/75/65/36/387756536.db2.gz UJHVQZHFIJWHFQ-NEPJUHHUSA-N 0 3 227.298 3.074 20 0 BGADHN C[C@@]12CCN(CC3=CCCC3)C[C@@H]1C2(F)F ZINC000645921829 387756042 /nfs/dbraw/zinc/75/60/42/387756042.db2.gz UJHVQZHFIJWHFQ-NWDGAFQWSA-N 0 3 227.298 3.074 20 0 BGADHN Cc1ccoc1CN(C)CC1=CCCC1 ZINC000645921839 387746680 /nfs/dbraw/zinc/74/66/80/387746680.db2.gz URWRGUVHIZPYSU-UHFFFAOYSA-N 0 3 205.301 3.130 20 0 BGADHN C1=C(CN2CCOCC23CCCCC3)CCC1 ZINC000645925748 388104741 /nfs/dbraw/zinc/10/47/41/388104741.db2.gz OTVRUBDWPONPLS-UHFFFAOYSA-N 0 3 235.371 3.132 20 0 BGADHN C1=C(CN2CCSC3(CCC3)CC2)CCC1 ZINC000645928351 388166796 /nfs/dbraw/zinc/16/67/96/388166796.db2.gz WGJFSMSMQJLGFS-UHFFFAOYSA-N 0 3 237.412 3.458 20 0 BGADHN CC(C)O[C@@H]1CCN([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000645944856 487853813 /nfs/dbraw/zinc/85/38/13/487853813.db2.gz NAUHMKQWODYCRG-BZUAXINKSA-N 0 3 245.366 3.042 20 0 BGADHN CCCNC1(c2ccccc2Cl)CC1 ZINC000645976461 388113598 /nfs/dbraw/zinc/11/35/98/388113598.db2.gz DLFIVYRIMUFGTG-UHFFFAOYSA-N 0 3 209.720 3.329 20 0 BGADHN Clc1ccccc1C1(NCC2CC2)CC1 ZINC000645977236 388113435 /nfs/dbraw/zinc/11/34/35/388113435.db2.gz MUOZDYGAMKSFDM-UHFFFAOYSA-N 0 3 221.731 3.329 20 0 BGADHN FCCCNC1(c2ccccc2Cl)CC1 ZINC000645977299 388113189 /nfs/dbraw/zinc/11/31/89/388113189.db2.gz YWCKVBPWHQBCIB-UHFFFAOYSA-N 0 3 227.710 3.278 20 0 BGADHN Cc1ccccc1C1(NC[C@@H]2CCCCO2)CC1 ZINC000645979154 388114383 /nfs/dbraw/zinc/11/43/83/388114383.db2.gz ZQIWBMROINENPX-AWEZNQCLSA-N 0 3 245.366 3.143 20 0 BGADHN Cc1ccccc1C1(NC[C@H]2CCCCO2)CC1 ZINC000645979155 388114334 /nfs/dbraw/zinc/11/43/34/388114334.db2.gz ZQIWBMROINENPX-CQSZACIVSA-N 0 3 245.366 3.143 20 0 BGADHN CCCCOCCNC1(c2ccccc2C)CC1 ZINC000645979377 388114211 /nfs/dbraw/zinc/11/42/11/388114211.db2.gz AKTXEZHZZSRSDG-UHFFFAOYSA-N 0 3 247.382 3.390 20 0 BGADHN Cc1ccccc1C1(NCCOC(C)(C)C)CC1 ZINC000645979528 388113942 /nfs/dbraw/zinc/11/39/42/388113942.db2.gz PJJPJIHUJMFPAI-UHFFFAOYSA-N 0 3 247.382 3.389 20 0 BGADHN Cc1ccccc1C1(NCCOCC2CC2)CC1 ZINC000645979800 388114048 /nfs/dbraw/zinc/11/40/48/388114048.db2.gz GGPUCIUPSGCPCT-UHFFFAOYSA-N 0 3 245.366 3.000 20 0 BGADHN Cc1ccccc1C1(NCc2ccncc2)CC1 ZINC000645979922 388115056 /nfs/dbraw/zinc/11/50/56/388115056.db2.gz QHRKFEWUKWSJGS-UHFFFAOYSA-N 0 3 238.334 3.169 20 0 BGADHN Cc1ccccc1C1(NCCOCC(C)C)CC1 ZINC000645980768 388114756 /nfs/dbraw/zinc/11/47/56/388114756.db2.gz IZUDSMKBTRVCLP-UHFFFAOYSA-N 0 3 247.382 3.246 20 0 BGADHN Cc1ccccc1C1(NCCOC2CCC2)CC1 ZINC000645980824 388114997 /nfs/dbraw/zinc/11/49/97/388114997.db2.gz NXLPFPHTDSLFHM-UHFFFAOYSA-N 0 3 245.366 3.143 20 0 BGADHN Cc1ccccc1C1(NC[C@@H]2CC[C@H](C)O2)CC1 ZINC000645980988 388114690 /nfs/dbraw/zinc/11/46/90/388114690.db2.gz YPJRSKIMDHQTMA-KBPBESRZSA-N 0 3 245.366 3.141 20 0 BGADHN Cc1ccccc1C1(NC[C@@H]2CC[C@@H](C)O2)CC1 ZINC000645980989 388114809 /nfs/dbraw/zinc/11/48/09/388114809.db2.gz YPJRSKIMDHQTMA-KGLIPLIRSA-N 0 3 245.366 3.141 20 0 BGADHN Cc1ccccc1C1(NC[C@H]2CC[C@H](C)O2)CC1 ZINC000645980990 388115190 /nfs/dbraw/zinc/11/51/90/388115190.db2.gz YPJRSKIMDHQTMA-UONOGXRCSA-N 0 3 245.366 3.141 20 0 BGADHN Cc1ccccc1C1(NC[C@H]2CC[C@@H](C)O2)CC1 ZINC000645980991 388114991 /nfs/dbraw/zinc/11/49/91/388114991.db2.gz YPJRSKIMDHQTMA-ZIAGYGMSSA-N 0 3 245.366 3.141 20 0 BGADHN COc1ccccc1C1(NCC2CCCC2)CC1 ZINC000645999220 487879935 /nfs/dbraw/zinc/87/99/35/487879935.db2.gz IJOAUFSYNRZUGH-UHFFFAOYSA-N 0 3 245.366 3.464 20 0 BGADHN CCCCNC1(c2ccccc2OC)CC1 ZINC000645999246 487879799 /nfs/dbraw/zinc/87/97/99/487879799.db2.gz KAFPKLSNJAJIPT-UHFFFAOYSA-N 0 3 219.328 3.074 20 0 BGADHN COc1ccccc1C1(NCCC(C)C)CC1 ZINC000645999308 487880602 /nfs/dbraw/zinc/88/06/02/487880602.db2.gz QAXHLYZRRHTKMJ-UHFFFAOYSA-N 0 3 233.355 3.320 20 0 BGADHN COc1ccccc1C1(N[C@@H]2C=CCCC2)CC1 ZINC000646000666 388122436 /nfs/dbraw/zinc/12/24/36/388122436.db2.gz OORUGJXULLGWGM-CYBMUJFWSA-N 0 3 243.350 3.383 20 0 BGADHN COc1ccccc1C1(N[C@H]2C=CCCC2)CC1 ZINC000646000670 388122384 /nfs/dbraw/zinc/12/23/84/388122384.db2.gz OORUGJXULLGWGM-ZDUSSCGKSA-N 0 3 243.350 3.383 20 0 BGADHN CC[C@@H](C)CNC1(c2ccccc2OC)CC1 ZINC000646000694 388122653 /nfs/dbraw/zinc/12/26/53/388122653.db2.gz PDKLBOLMDJSGIR-GFCCVEGCSA-N 0 3 233.355 3.320 20 0 BGADHN CC[C@H](C)CNC1(c2ccccc2OC)CC1 ZINC000646000695 388122443 /nfs/dbraw/zinc/12/24/43/388122443.db2.gz PDKLBOLMDJSGIR-LBPRGKRZSA-N 0 3 233.355 3.320 20 0 BGADHN CCCCCNC1(c2ccccc2OC)CC1 ZINC000646000702 388122448 /nfs/dbraw/zinc/12/24/48/388122448.db2.gz PSABIIDPTHLFDX-UHFFFAOYSA-N 0 3 233.355 3.464 20 0 BGADHN COc1ccccc1C1(NCCC2CC2)CC1 ZINC000646000779 388122525 /nfs/dbraw/zinc/12/25/25/388122525.db2.gz UNQXSGAEJZPRGJ-UHFFFAOYSA-N 0 3 231.339 3.074 20 0 BGADHN COc1ccccc1C1(NCC2CCC2)CC1 ZINC000646000799 388122453 /nfs/dbraw/zinc/12/24/53/388122453.db2.gz VZJQGHHBVKPTNF-UHFFFAOYSA-N 0 3 231.339 3.074 20 0 BGADHN COc1ccccc1C1(NC2CCCC2)CC1 ZINC000646001257 411352459 /nfs/dbraw/zinc/35/24/59/411352459.db2.gz POMRGWDVQJJFCX-UHFFFAOYSA-N 0 3 231.339 3.217 20 0 BGADHN COc1ccccc1C1(NCCCCF)CC1 ZINC000646001571 388123201 /nfs/dbraw/zinc/12/32/01/388123201.db2.gz UDOPPGFNPOORMZ-UHFFFAOYSA-N 0 3 237.318 3.024 20 0 BGADHN COc1ccccc1C1(N[C@@H]2CC[C@@H](C)C2)CC1 ZINC000646001584 388122967 /nfs/dbraw/zinc/12/29/67/388122967.db2.gz VDGMRXMMWMQZHN-CHWSQXEVSA-N 0 3 245.366 3.463 20 0 BGADHN COc1ccccc1C1(N[C@H]2CC[C@@H](C)C2)CC1 ZINC000646001585 388123122 /nfs/dbraw/zinc/12/31/22/388123122.db2.gz VDGMRXMMWMQZHN-OLZOCXBDSA-N 0 3 245.366 3.463 20 0 BGADHN COc1ccccc1C1(N[C@@H]2CC[C@H](C)C2)CC1 ZINC000646001586 388122900 /nfs/dbraw/zinc/12/29/00/388122900.db2.gz VDGMRXMMWMQZHN-QWHCGFSZSA-N 0 3 245.366 3.463 20 0 BGADHN COc1ccccc1C1(N[C@H]2CC[C@H](C)C2)CC1 ZINC000646001587 388122744 /nfs/dbraw/zinc/12/27/44/388122744.db2.gz VDGMRXMMWMQZHN-STQMWFEESA-N 0 3 245.366 3.463 20 0 BGADHN COc1ccccc1C1(NCC2(C)CCC2)CC1 ZINC000646001638 388123049 /nfs/dbraw/zinc/12/30/49/388123049.db2.gz YRBRDUBBULOBBN-UHFFFAOYSA-N 0 3 245.366 3.464 20 0 BGADHN COc1ccccc1C1(NCC2=CCCC2)CC1 ZINC000646001740 388123250 /nfs/dbraw/zinc/12/32/50/388123250.db2.gz IBCNDSHYBZRYOZ-UHFFFAOYSA-N 0 3 243.350 3.384 20 0 BGADHN CCOCCNC1(c2cccc(C)c2)CCC1 ZINC000646021276 388125601 /nfs/dbraw/zinc/12/56/01/388125601.db2.gz SCACBXBYUQGMQF-UHFFFAOYSA-N 0 3 233.355 3.000 20 0 BGADHN Cc1cccc(C2(NCCOC(C)C)CCC2)c1 ZINC000646021338 388125484 /nfs/dbraw/zinc/12/54/84/388125484.db2.gz WWQRRWPSGHZEPM-UHFFFAOYSA-N 0 3 247.382 3.389 20 0 BGADHN FCCCNC1(c2ccccc2F)CCC1 ZINC000646025766 388127508 /nfs/dbraw/zinc/12/75/08/388127508.db2.gz GDVDCMMPPIVWLN-UHFFFAOYSA-N 0 3 225.282 3.154 20 0 BGADHN Fc1ccccc1C1(NCC2CC2)CCC1 ZINC000646025818 388127308 /nfs/dbraw/zinc/12/73/08/388127308.db2.gz JOKNANPTDOOSNU-UHFFFAOYSA-N 0 3 219.303 3.205 20 0 BGADHN CC(C)NC1(c2ccccc2F)CCC1 ZINC000646026137 388127475 /nfs/dbraw/zinc/12/74/75/388127475.db2.gz AHYBHSNUJSRNGB-UHFFFAOYSA-N 0 3 207.292 3.203 20 0 BGADHN CCCNC1(c2ccccc2F)CCC1 ZINC000646026463 388126973 /nfs/dbraw/zinc/12/69/73/388126973.db2.gz PTLWVKWNXKMMEE-UHFFFAOYSA-N 0 3 207.292 3.205 20 0 BGADHN CN(CCC(C)(C)C)Cc1cn2ccccc2n1 ZINC000646027533 388127494 /nfs/dbraw/zinc/12/74/94/388127494.db2.gz NRUYAFXZFYARAZ-UHFFFAOYSA-N 0 3 245.370 3.202 20 0 BGADHN CCc1noc(C)c1CN(C)CCC(C)(C)C ZINC000646028024 388127935 /nfs/dbraw/zinc/12/79/35/388127935.db2.gz XRQDPOCJRLVWGU-UHFFFAOYSA-N 0 3 238.375 3.413 20 0 BGADHN Cc1cncc(CN(C)CCC(C)(C)C)c1 ZINC000646028546 388128684 /nfs/dbraw/zinc/12/86/84/388128684.db2.gz CICCEFNZQBQQDP-UHFFFAOYSA-N 0 3 220.360 3.258 20 0 BGADHN CC(C)n1nccc1CN(C)CCC(C)(C)C ZINC000646028561 388127873 /nfs/dbraw/zinc/12/78/73/388127873.db2.gz DZUOFFGPSPXJSG-UHFFFAOYSA-N 0 3 237.391 3.332 20 0 BGADHN Cc1cccnc1CN(C)CCC(C)(C)C ZINC000646028574 388127925 /nfs/dbraw/zinc/12/79/25/388127925.db2.gz FWQWTOHNFGKJEI-UHFFFAOYSA-N 0 3 220.360 3.258 20 0 BGADHN CN(CCC(C)(C)C)Cc1cnc2ccccn12 ZINC000646028620 388127887 /nfs/dbraw/zinc/12/78/87/388127887.db2.gz KUPFWVLQYSWHJB-UHFFFAOYSA-N 0 3 245.370 3.202 20 0 BGADHN Cc1ccnc(CN(C)CCC(C)(C)C)c1 ZINC000646028650 388128894 /nfs/dbraw/zinc/12/88/94/388128894.db2.gz NFHBMLNJNFOVIY-UHFFFAOYSA-N 0 3 220.360 3.258 20 0 BGADHN CN(CCC(C)(C)C)Cc1cncc(F)c1 ZINC000646028689 388128027 /nfs/dbraw/zinc/12/80/27/388128027.db2.gz RKNJXOWNFCZATL-UHFFFAOYSA-N 0 3 224.323 3.089 20 0 BGADHN Cc1nc(C)c(CN(C)CCC(C)(C)C)o1 ZINC000646028720 388128090 /nfs/dbraw/zinc/12/80/90/388128090.db2.gz WRPFNFUAALHULG-UHFFFAOYSA-N 0 3 224.348 3.159 20 0 BGADHN Cc1noc(C)c1CCN(C)CCC(C)(C)C ZINC000646028741 388128521 /nfs/dbraw/zinc/12/85/21/388128521.db2.gz YDJLZAJJEMNEOM-UHFFFAOYSA-N 0 3 238.375 3.202 20 0 BGADHN Cc1cnc([C@@H](C)N(C)CCC(C)(C)C)cn1 ZINC000646028861 388127772 /nfs/dbraw/zinc/12/77/72/388127772.db2.gz FTGVXSCRPRAUAL-GFCCVEGCSA-N 0 3 235.375 3.214 20 0 BGADHN Cc1cnc([C@H](C)N(C)CCC(C)(C)C)cn1 ZINC000646028862 388128775 /nfs/dbraw/zinc/12/87/75/388128775.db2.gz FTGVXSCRPRAUAL-LBPRGKRZSA-N 0 3 235.375 3.214 20 0 BGADHN Cc1ncccc1CN(C)CCC(C)(C)C ZINC000646028938 388128175 /nfs/dbraw/zinc/12/81/75/388128175.db2.gz NTMDLCCGYSZXOX-UHFFFAOYSA-N 0 3 220.360 3.258 20 0 BGADHN CCc1nc(C)c(CN(C)CCC(C)(C)C)o1 ZINC000646029045 388129452 /nfs/dbraw/zinc/12/94/52/388129452.db2.gz XYFREYQMAXXTQY-UHFFFAOYSA-N 0 3 238.375 3.413 20 0 BGADHN CCO[C@@H]1CCCN(Cc2ccsc2C)C1 ZINC000646046265 388131904 /nfs/dbraw/zinc/13/19/04/388131904.db2.gz SREYXGHMBLITEC-CYBMUJFWSA-N 0 3 239.384 3.057 20 0 BGADHN CCO[C@H]1CCCN(Cc2ccsc2C)C1 ZINC000646046266 388131428 /nfs/dbraw/zinc/13/14/28/388131428.db2.gz SREYXGHMBLITEC-ZDUSSCGKSA-N 0 3 239.384 3.057 20 0 BGADHN CC1(C)CCC[C@@H]1[C@H]1CCN(Cc2ccno2)C1 ZINC000646049243 388132671 /nfs/dbraw/zinc/13/26/71/388132671.db2.gz BEYMJVXORIAGBS-GXTWGEPZSA-N 0 3 248.370 3.323 20 0 BGADHN CC1(C)CCC[C@H]1[C@H]1CCN(Cc2ccno2)C1 ZINC000646049244 388132744 /nfs/dbraw/zinc/13/27/44/388132744.db2.gz BEYMJVXORIAGBS-JSGCOSHPSA-N 0 3 248.370 3.323 20 0 BGADHN CC1(C)CCC[C@H]1[C@@H]1CCN(Cc2ccno2)C1 ZINC000646049245 388132725 /nfs/dbraw/zinc/13/27/25/388132725.db2.gz BEYMJVXORIAGBS-OCCSQVGLSA-N 0 3 248.370 3.323 20 0 BGADHN CC1(C)CCC[C@@H]1[C@@H]1CCN(Cc2ccno2)C1 ZINC000646049246 388132713 /nfs/dbraw/zinc/13/27/13/388132713.db2.gz BEYMJVXORIAGBS-TZMCWYRMSA-N 0 3 248.370 3.323 20 0 BGADHN CC1(C)CCC[C@@H]1[C@H]1CCN(Cc2ccon2)C1 ZINC000646050987 388132642 /nfs/dbraw/zinc/13/26/42/388132642.db2.gz WSLFHZMHNRXQNT-GXTWGEPZSA-N 0 3 248.370 3.323 20 0 BGADHN CC1(C)CCC[C@H]1[C@H]1CCN(Cc2ccon2)C1 ZINC000646050988 388132338 /nfs/dbraw/zinc/13/23/38/388132338.db2.gz WSLFHZMHNRXQNT-JSGCOSHPSA-N 0 3 248.370 3.323 20 0 BGADHN CC1(C)CCC[C@H]1[C@@H]1CCN(Cc2ccon2)C1 ZINC000646050989 388132593 /nfs/dbraw/zinc/13/25/93/388132593.db2.gz WSLFHZMHNRXQNT-OCCSQVGLSA-N 0 3 248.370 3.323 20 0 BGADHN CC1(C)CCC[C@@H]1[C@@H]1CCN(Cc2ccon2)C1 ZINC000646050990 388132607 /nfs/dbraw/zinc/13/26/07/388132607.db2.gz WSLFHZMHNRXQNT-TZMCWYRMSA-N 0 3 248.370 3.323 20 0 BGADHN CC1(C)CCC[C@@H]1[C@H]1CCN(Cc2cc[nH]n2)C1 ZINC000646052199 388133637 /nfs/dbraw/zinc/13/36/37/388133637.db2.gz HDIKAKRWQCYNFU-GXTWGEPZSA-N 0 3 247.386 3.058 20 0 BGADHN CC1(C)CCC[C@H]1[C@H]1CCN(Cc2cc[nH]n2)C1 ZINC000646052200 388133632 /nfs/dbraw/zinc/13/36/32/388133632.db2.gz HDIKAKRWQCYNFU-JSGCOSHPSA-N 0 3 247.386 3.058 20 0 BGADHN CC1(C)CCC[C@H]1[C@@H]1CCN(Cc2cc[nH]n2)C1 ZINC000646052201 388133094 /nfs/dbraw/zinc/13/30/94/388133094.db2.gz HDIKAKRWQCYNFU-OCCSQVGLSA-N 0 3 247.386 3.058 20 0 BGADHN CC1(C)CCC[C@@H]1[C@@H]1CCN(Cc2cc[nH]n2)C1 ZINC000646052202 388133651 /nfs/dbraw/zinc/13/36/51/388133651.db2.gz HDIKAKRWQCYNFU-TZMCWYRMSA-N 0 3 247.386 3.058 20 0 BGADHN CC1(C)CCC[C@@H]1[C@H]1CCN(Cc2c[nH]cn2)C1 ZINC000646052312 388133569 /nfs/dbraw/zinc/13/35/69/388133569.db2.gz KWQUZYCODNVYDU-GXTWGEPZSA-N 0 3 247.386 3.058 20 0 BGADHN CC1(C)CCC[C@H]1[C@H]1CCN(Cc2c[nH]cn2)C1 ZINC000646052313 388133132 /nfs/dbraw/zinc/13/31/32/388133132.db2.gz KWQUZYCODNVYDU-JSGCOSHPSA-N 0 3 247.386 3.058 20 0 BGADHN CC1(C)CCC[C@H]1[C@@H]1CCN(Cc2c[nH]cn2)C1 ZINC000646052314 388133598 /nfs/dbraw/zinc/13/35/98/388133598.db2.gz KWQUZYCODNVYDU-OCCSQVGLSA-N 0 3 247.386 3.058 20 0 BGADHN CC1(C)CCC[C@@H]1[C@@H]1CCN(Cc2c[nH]cn2)C1 ZINC000646052315 388133482 /nfs/dbraw/zinc/13/34/82/388133482.db2.gz KWQUZYCODNVYDU-TZMCWYRMSA-N 0 3 247.386 3.058 20 0 BGADHN CCc1nocc1CN(C(CC)CC)C1CC1 ZINC000646052902 388133281 /nfs/dbraw/zinc/13/32/81/388133281.db2.gz DURCMQYCOSRJEG-UHFFFAOYSA-N 0 3 236.359 3.390 20 0 BGADHN COc1ccc(F)c(CN(C)CCC(C)C)c1 ZINC000646053110 388133655 /nfs/dbraw/zinc/13/36/55/388133655.db2.gz LDLOSGGRUHSXDS-UHFFFAOYSA-N 0 3 239.334 3.312 20 0 BGADHN Cc1nocc1CN(C1CC1)C1CCCCC1 ZINC000646055266 388133391 /nfs/dbraw/zinc/13/33/91/388133391.db2.gz LYUHETBLMXTKHN-UHFFFAOYSA-N 0 3 234.343 3.280 20 0 BGADHN Cc1nocc1CN(C(C)C)C1CCCC1 ZINC000646058260 388134363 /nfs/dbraw/zinc/13/43/63/388134363.db2.gz LWSNJQCQJJOPHF-UHFFFAOYSA-N 0 3 222.332 3.136 20 0 BGADHN CCOC1CCN(Cc2ccsc2C)CC1 ZINC000646059361 388135212 /nfs/dbraw/zinc/13/52/12/388135212.db2.gz FIDVMNUDPFLRTB-UHFFFAOYSA-N 0 3 239.384 3.057 20 0 BGADHN CCCCCN[C@@H](CCO)c1ccccc1F ZINC000646068500 388136147 /nfs/dbraw/zinc/13/61/47/388136147.db2.gz UGSALQOJZWVIKA-AWEZNQCLSA-N 0 3 239.334 3.029 20 0 BGADHN CCCCCN[C@H](CCO)c1ccccc1F ZINC000646068501 388136308 /nfs/dbraw/zinc/13/63/08/388136308.db2.gz UGSALQOJZWVIKA-CQSZACIVSA-N 0 3 239.334 3.029 20 0 BGADHN COc1ccc(F)c(CN2CCC[C@H]2C2CC2)c1 ZINC000646074044 388137255 /nfs/dbraw/zinc/13/72/55/388137255.db2.gz OLQRVYCVAFRLBN-HNNXBMFYSA-N 0 3 249.329 3.209 20 0 BGADHN COc1ccc(F)c(CN2CCC[C@@H]2C2CC2)c1 ZINC000646074045 388137752 /nfs/dbraw/zinc/13/77/52/388137752.db2.gz OLQRVYCVAFRLBN-OAHLLOKOSA-N 0 3 249.329 3.209 20 0 BGADHN CN(Cc1ncccc1C(F)(F)F)C(C)(C)C ZINC000646088610 388139910 /nfs/dbraw/zinc/13/99/10/388139910.db2.gz JHEGNKMOKYNQAH-UHFFFAOYSA-N 0 3 246.276 3.331 20 0 BGADHN Cc1sccc1CN1CCCOC(C)(C)C1 ZINC000646088882 388140655 /nfs/dbraw/zinc/14/06/55/388140655.db2.gz HNDZFVWHDZBYTL-UHFFFAOYSA-N 0 3 239.384 3.057 20 0 BGADHN CCc1nocc1CN1C2CCCC1CCC2 ZINC000646093373 388140916 /nfs/dbraw/zinc/14/09/16/388140916.db2.gz IYWNBUJTCNZFPF-UHFFFAOYSA-N 0 3 234.343 3.144 20 0 BGADHN Fc1cccc(CN[C@@H]2CCC[C@H]3C[C@H]32)c1F ZINC000646094320 388140842 /nfs/dbraw/zinc/14/08/42/388140842.db2.gz WUILHZHLJITMJT-UFGOTCBOSA-N 0 3 237.293 3.243 20 0 BGADHN Cc1nocc1CN1CCC(C2CCCC2)CC1 ZINC000646094491 388140965 /nfs/dbraw/zinc/14/09/65/388140965.db2.gz RWLHZAJKNYHSQD-UHFFFAOYSA-N 0 3 248.370 3.385 20 0 BGADHN Cc1sccc1CN(C)CCOC(C)(C)C ZINC000646094903 388141677 /nfs/dbraw/zinc/14/16/77/388141677.db2.gz LAGKUSOBGUKPOG-UHFFFAOYSA-N 0 3 241.400 3.303 20 0 BGADHN C[C@@H](c1ccccc1)N1C[C@H](C)OC2(CCC2)C1 ZINC000646115727 388144511 /nfs/dbraw/zinc/14/45/11/388144511.db2.gz OLJZKCHODDRYEV-KBPBESRZSA-N 0 3 245.366 3.391 20 0 BGADHN C[C@@H](c1ccccc1)N1C[C@@H](C)OC2(CCC2)C1 ZINC000646115728 388144871 /nfs/dbraw/zinc/14/48/71/388144871.db2.gz OLJZKCHODDRYEV-KGLIPLIRSA-N 0 3 245.366 3.391 20 0 BGADHN C[C@H](c1ccccc1)N1C[C@H](C)OC2(CCC2)C1 ZINC000646115729 388144451 /nfs/dbraw/zinc/14/44/51/388144451.db2.gz OLJZKCHODDRYEV-UONOGXRCSA-N 0 3 245.366 3.391 20 0 BGADHN C[C@H](c1ccccc1)N1C[C@@H](C)OC2(CCC2)C1 ZINC000646115730 388144329 /nfs/dbraw/zinc/14/43/29/388144329.db2.gz OLJZKCHODDRYEV-ZIAGYGMSSA-N 0 3 245.366 3.391 20 0 BGADHN COCCN1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000646116727 388145034 /nfs/dbraw/zinc/14/50/34/388145034.db2.gz CZJIXPDNSOFMQT-HNNXBMFYSA-N 0 3 243.350 3.026 20 0 BGADHN COCCN1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000646116728 388145128 /nfs/dbraw/zinc/14/51/28/388145128.db2.gz CZJIXPDNSOFMQT-OAHLLOKOSA-N 0 3 243.350 3.026 20 0 BGADHN CCN1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000646117167 388145905 /nfs/dbraw/zinc/14/59/05/388145905.db2.gz RMQRBZJENNCLOJ-AWEZNQCLSA-N 0 3 213.324 3.400 20 0 BGADHN CCN1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000646117168 388145847 /nfs/dbraw/zinc/14/58/47/388145847.db2.gz RMQRBZJENNCLOJ-CQSZACIVSA-N 0 3 213.324 3.400 20 0 BGADHN Cc1nc(CN[C@@H]2CC=C(C)CC2)cs1 ZINC000646122079 388146508 /nfs/dbraw/zinc/14/65/08/388146508.db2.gz PDVRZLMNKSOTII-LLVKDONJSA-N 0 3 222.357 3.040 20 0 BGADHN Cc1nc(CN[C@H]2CC=C(C)CC2)cs1 ZINC000646122090 388146564 /nfs/dbraw/zinc/14/65/64/388146564.db2.gz PDVRZLMNKSOTII-NSHDSACASA-N 0 3 222.357 3.040 20 0 BGADHN CC[C@@H](N[C@H](C)COC)c1csc(C)c1 ZINC000646128536 388150364 /nfs/dbraw/zinc/15/03/64/388150364.db2.gz PGWJZHAAZUERHR-BXKDBHETSA-N 0 3 227.373 3.132 20 0 BGADHN CC[C@H](N[C@@H](C)COC)c1csc(C)c1 ZINC000646128537 388150106 /nfs/dbraw/zinc/15/01/06/388150106.db2.gz PGWJZHAAZUERHR-CABZTGNLSA-N 0 3 227.373 3.132 20 0 BGADHN CC[C@@H](N[C@@H](C)COC)c1csc(C)c1 ZINC000646128538 388150108 /nfs/dbraw/zinc/15/01/08/388150108.db2.gz PGWJZHAAZUERHR-JOYOIKCWSA-N 0 3 227.373 3.132 20 0 BGADHN CC[C@H](N[C@H](C)COC)c1csc(C)c1 ZINC000646128539 388150057 /nfs/dbraw/zinc/15/00/57/388150057.db2.gz PGWJZHAAZUERHR-SKDRFNHKSA-N 0 3 227.373 3.132 20 0 BGADHN CC[C@@H](NCc1cncn1C)c1csc(C)c1 ZINC000646128578 388150152 /nfs/dbraw/zinc/15/01/52/388150152.db2.gz WVTXBNMDMSFHRC-CYBMUJFWSA-N 0 3 249.383 3.031 20 0 BGADHN CC[C@H](NCc1cncn1C)c1csc(C)c1 ZINC000646128579 388150069 /nfs/dbraw/zinc/15/00/69/388150069.db2.gz WVTXBNMDMSFHRC-ZDUSSCGKSA-N 0 3 249.383 3.031 20 0 BGADHN CCOCCNC1(c2ccc(C)cc2)CCC1 ZINC000646130377 388150214 /nfs/dbraw/zinc/15/02/14/388150214.db2.gz QTDFVOIRPDXEJW-UHFFFAOYSA-N 0 3 233.355 3.000 20 0 BGADHN Cc1ccc(C2(NCCOC(C)C)CCC2)cc1 ZINC000646131004 388149927 /nfs/dbraw/zinc/14/99/27/388149927.db2.gz YLVILXJQCHPOIY-UHFFFAOYSA-N 0 3 247.382 3.389 20 0 BGADHN C[C@H]1CN(Cc2ccccc2)CC2(CCCC2)O1 ZINC000646131779 398020124 /nfs/dbraw/zinc/02/01/24/398020124.db2.gz IUTNNXWPVLNVOG-AWEZNQCLSA-N 0 3 245.366 3.220 20 0 BGADHN C[C@@H]1CN(Cc2ccccc2)CC2(CCCC2)O1 ZINC000646131780 398019945 /nfs/dbraw/zinc/01/99/45/398019945.db2.gz IUTNNXWPVLNVOG-CQSZACIVSA-N 0 3 245.366 3.220 20 0 BGADHN C[C@H]1CN([C@H]2C=CCCC2)CC2(CCCC2)O1 ZINC000646133407 388150932 /nfs/dbraw/zinc/15/09/32/388150932.db2.gz SIOGTVJASSGFPG-KBPBESRZSA-N 0 3 235.371 3.129 20 0 BGADHN C[C@@H]1CN([C@H]2C=CCCC2)CC2(CCCC2)O1 ZINC000646133408 388151462 /nfs/dbraw/zinc/15/14/62/388151462.db2.gz SIOGTVJASSGFPG-KGLIPLIRSA-N 0 3 235.371 3.129 20 0 BGADHN C[C@H]1CN([C@@H]2C=CCCC2)CC2(CCCC2)O1 ZINC000646133409 388150819 /nfs/dbraw/zinc/15/08/19/388150819.db2.gz SIOGTVJASSGFPG-UONOGXRCSA-N 0 3 235.371 3.129 20 0 BGADHN C[C@@H]1CN([C@@H]2C=CCCC2)CC2(CCCC2)O1 ZINC000646133410 388150774 /nfs/dbraw/zinc/15/07/74/388150774.db2.gz SIOGTVJASSGFPG-ZIAGYGMSSA-N 0 3 235.371 3.129 20 0 BGADHN C[C@@H]1CN(CC2=CCCC2)CC2(CCCC2)O1 ZINC000646135084 388152141 /nfs/dbraw/zinc/15/21/41/388152141.db2.gz CBOXWIAUFZIRLI-CYBMUJFWSA-N 0 3 235.371 3.130 20 0 BGADHN C[C@H]1CN(CC2=CCCC2)CC2(CCCC2)O1 ZINC000646135085 388151778 /nfs/dbraw/zinc/15/17/78/388151778.db2.gz CBOXWIAUFZIRLI-ZDUSSCGKSA-N 0 3 235.371 3.130 20 0 BGADHN C[C@@H]1CN(CCCCCF)CC2(CCCC2)O1 ZINC000646135517 388152152 /nfs/dbraw/zinc/15/21/52/388152152.db2.gz PWGZNYUCSBMLPY-CYBMUJFWSA-N 0 3 243.366 3.160 20 0 BGADHN C[C@H]1CN(CCCCCF)CC2(CCCC2)O1 ZINC000646135518 388152706 /nfs/dbraw/zinc/15/27/06/388152706.db2.gz PWGZNYUCSBMLPY-ZDUSSCGKSA-N 0 3 243.366 3.160 20 0 BGADHN Cc1cc(CN2CCCC[C@H]2C2CCC2)no1 ZINC000646137985 388153328 /nfs/dbraw/zinc/15/33/28/388153328.db2.gz ZSZCETLMJMJDGU-AWEZNQCLSA-N 0 3 234.343 3.138 20 0 BGADHN Cc1cc(CN2CCCC[C@@H]2C2CCC2)no1 ZINC000646137986 388153016 /nfs/dbraw/zinc/15/30/16/388153016.db2.gz ZSZCETLMJMJDGU-CQSZACIVSA-N 0 3 234.343 3.138 20 0 BGADHN Cc1cc(CN2CCCC[C@H]2C2CCC2)on1 ZINC000646138206 388153738 /nfs/dbraw/zinc/15/37/38/388153738.db2.gz GAMXKRXPSNWEMC-AWEZNQCLSA-N 0 3 234.343 3.138 20 0 BGADHN Cc1cc(CN2CCCC[C@@H]2C2CCC2)on1 ZINC000646138207 388153742 /nfs/dbraw/zinc/15/37/42/388153742.db2.gz GAMXKRXPSNWEMC-CQSZACIVSA-N 0 3 234.343 3.138 20 0 BGADHN c1csc(CN2CCCC[C@@H]2C2CCC2)n1 ZINC000646138272 388153595 /nfs/dbraw/zinc/15/35/95/388153595.db2.gz ABBREISYCDIGRH-GFCCVEGCSA-N 0 3 236.384 3.298 20 0 BGADHN c1csc(CN2CCCC[C@H]2C2CCC2)n1 ZINC000646138273 388153795 /nfs/dbraw/zinc/15/37/95/388153795.db2.gz ABBREISYCDIGRH-LBPRGKRZSA-N 0 3 236.384 3.298 20 0 BGADHN CCc1cnc(CN2CCCC[C@H]2C2CCC2)o1 ZINC000646138334 388153931 /nfs/dbraw/zinc/15/39/31/388153931.db2.gz CQLSMOOORDKIMU-AWEZNQCLSA-N 0 3 248.370 3.392 20 0 BGADHN CCc1cnc(CN2CCCC[C@@H]2C2CCC2)o1 ZINC000646138335 388154107 /nfs/dbraw/zinc/15/41/07/388154107.db2.gz CQLSMOOORDKIMU-CQSZACIVSA-N 0 3 248.370 3.392 20 0 BGADHN Cc1nc(CN2CCCC[C@H]2C2CCC2)oc1C ZINC000646138643 388153964 /nfs/dbraw/zinc/15/39/64/388153964.db2.gz OWOXVPNVYNILCY-AWEZNQCLSA-N 0 3 248.370 3.446 20 0 BGADHN Cc1nc(CN2CCCC[C@@H]2C2CCC2)oc1C ZINC000646138644 388153675 /nfs/dbraw/zinc/15/36/75/388153675.db2.gz OWOXVPNVYNILCY-CQSZACIVSA-N 0 3 248.370 3.446 20 0 BGADHN CCn1ccnc1CN1CCCC[C@H]1C1CCC1 ZINC000646138893 388153977 /nfs/dbraw/zinc/15/39/77/388153977.db2.gz XMHVMILTMIEQSF-AWEZNQCLSA-N 0 3 247.386 3.058 20 0 BGADHN CCn1ccnc1CN1CCCC[C@@H]1C1CCC1 ZINC000646138895 388153570 /nfs/dbraw/zinc/15/35/70/388153570.db2.gz XMHVMILTMIEQSF-CQSZACIVSA-N 0 3 247.386 3.058 20 0 BGADHN Cc1cnc(CN2CCCC[C@@H]2C2CCC2)o1 ZINC000646139594 388153320 /nfs/dbraw/zinc/15/33/20/388153320.db2.gz ZIFMGAJWYDACNR-CYBMUJFWSA-N 0 3 234.343 3.138 20 0 BGADHN Cc1cnc(CN2CCCC[C@H]2C2CCC2)o1 ZINC000646139595 388153070 /nfs/dbraw/zinc/15/30/70/388153070.db2.gz ZIFMGAJWYDACNR-ZDUSSCGKSA-N 0 3 234.343 3.138 20 0 BGADHN CC1=CC[C@@H](NCc2cc(C(C)C)no2)CC1 ZINC000646139694 388154672 /nfs/dbraw/zinc/15/46/72/388154672.db2.gz DPFHYQRVGIRBJP-GFCCVEGCSA-N 0 3 234.343 3.386 20 0 BGADHN CC1=CC[C@H](NCc2cc(C(C)C)no2)CC1 ZINC000646139695 388154891 /nfs/dbraw/zinc/15/48/91/388154891.db2.gz DPFHYQRVGIRBJP-LBPRGKRZSA-N 0 3 234.343 3.386 20 0 BGADHN Fc1cncc(CN2CCCC[C@H]2C2CCC2)c1 ZINC000646139990 388154554 /nfs/dbraw/zinc/15/45/54/388154554.db2.gz MBWJMSSDQYEPFR-HNNXBMFYSA-N 0 3 248.345 3.375 20 0 BGADHN Fc1cncc(CN2CCCC[C@@H]2C2CCC2)c1 ZINC000646139991 388154566 /nfs/dbraw/zinc/15/45/66/388154566.db2.gz MBWJMSSDQYEPFR-OAHLLOKOSA-N 0 3 248.345 3.375 20 0 BGADHN Fc1cnccc1CN1CCCC[C@H]1C1CCC1 ZINC000646140160 388154487 /nfs/dbraw/zinc/15/44/87/388154487.db2.gz XKTOZVNACXTYQZ-HNNXBMFYSA-N 0 3 248.345 3.375 20 0 BGADHN Fc1cnccc1CN1CCCC[C@@H]1C1CCC1 ZINC000646140161 388154480 /nfs/dbraw/zinc/15/44/80/388154480.db2.gz XKTOZVNACXTYQZ-OAHLLOKOSA-N 0 3 248.345 3.375 20 0 BGADHN Cc1sccc1CN1CC(C(C)C)C1 ZINC000646182004 388160537 /nfs/dbraw/zinc/16/05/37/388160537.db2.gz HASNIMOLEWJLLG-UHFFFAOYSA-N 0 3 209.358 3.144 20 0 BGADHN CCc1nocc1CN1CCC2(CCC2)CC1 ZINC000646195121 388162059 /nfs/dbraw/zinc/16/20/59/388162059.db2.gz JONDACVQZXWAMR-UHFFFAOYSA-N 0 3 234.343 3.003 20 0 BGADHN C[C@@H](CF)N[C@@H](C)CCc1ccc(F)cc1F ZINC000646215144 388166248 /nfs/dbraw/zinc/16/62/48/388166248.db2.gz FPHHOGGNVCDHOM-UWVGGRQHSA-N 0 3 245.288 3.234 20 0 BGADHN C[C@H](CCc1ccc(F)cc1F)N[C@@H](C)CF ZINC000646215145 388166073 /nfs/dbraw/zinc/16/60/73/388166073.db2.gz FPHHOGGNVCDHOM-ZJUUUORDSA-N 0 3 245.288 3.234 20 0 BGADHN C[C@@H](N[C@@H](C)CF)[C@@H](C)c1ccccc1 ZINC000646215158 388166286 /nfs/dbraw/zinc/16/62/86/388166286.db2.gz HAPVLXAEGDPONA-QJPTWQEYSA-N 0 3 209.308 3.126 20 0 BGADHN C[C@@H](N[C@@H](C)CF)[C@H](C)c1ccccc1 ZINC000646215159 388166109 /nfs/dbraw/zinc/16/61/09/388166109.db2.gz HAPVLXAEGDPONA-SDDRHHMPSA-N 0 3 209.308 3.126 20 0 BGADHN C[C@H](c1ccccc1)[C@H](C)N[C@@H](C)CF ZINC000646215160 388166115 /nfs/dbraw/zinc/16/61/15/388166115.db2.gz HAPVLXAEGDPONA-SRVKXCTJSA-N 0 3 209.308 3.126 20 0 BGADHN C[C@@H](CF)N[C@@H](C)[C@@H](C)c1ccccc1 ZINC000646215161 388166208 /nfs/dbraw/zinc/16/62/08/388166208.db2.gz HAPVLXAEGDPONA-TUAOUCFPSA-N 0 3 209.308 3.126 20 0 BGADHN C[C@@H](CF)N[C@@H]1C[C@H](c2ccccc2)[C@@H]1C ZINC000646215174 388166230 /nfs/dbraw/zinc/16/62/30/388166230.db2.gz IJPMNVVCBWLFTN-AUZPSNTRSA-N 0 3 221.319 3.126 20 0 BGADHN C[C@@H](CF)N[C@@H]1C[C@@H](c2ccccc2)[C@@H]1C ZINC000646215175 388166077 /nfs/dbraw/zinc/16/60/77/388166077.db2.gz IJPMNVVCBWLFTN-CDGCEXEKSA-N 0 3 221.319 3.126 20 0 BGADHN C[C@@H](CF)N[C@H]1C[C@H](c2ccccc2)[C@@H]1C ZINC000646215176 388166388 /nfs/dbraw/zinc/16/63/88/388166388.db2.gz IJPMNVVCBWLFTN-IMIFBBOLSA-N 0 3 221.319 3.126 20 0 BGADHN C[C@@H](CF)N[C@H]1C[C@@H](c2ccccc2)[C@@H]1C ZINC000646215177 388165932 /nfs/dbraw/zinc/16/59/32/388165932.db2.gz IJPMNVVCBWLFTN-VTPLQMEGSA-N 0 3 221.319 3.126 20 0 BGADHN COc1ccc([C@@H](C)[C@@H](C)N[C@@H](C)CF)cc1 ZINC000646215178 388166050 /nfs/dbraw/zinc/16/60/50/388166050.db2.gz IOHRFGJXPRCEJJ-SDDRHHMPSA-N 0 3 239.334 3.135 20 0 BGADHN COc1ccc([C@@H](C)[C@H](C)N[C@@H](C)CF)cc1 ZINC000646215179 388166373 /nfs/dbraw/zinc/16/63/73/388166373.db2.gz IOHRFGJXPRCEJJ-SRVKXCTJSA-N 0 3 239.334 3.135 20 0 BGADHN C[C@@H](CF)NC1CC(c2cc(F)cc(F)c2)C1 ZINC000646215329 388166055 /nfs/dbraw/zinc/16/60/55/388166055.db2.gz VKJFMDYLSIJWFB-LUHBLDKBSA-N 0 3 243.272 3.158 20 0 BGADHN C[C@@H](CF)NCCc1ccc(C(C)(C)C)cc1 ZINC000646215411 388166861 /nfs/dbraw/zinc/16/68/61/388166861.db2.gz XUPSZQKSAUNCNT-LBPRGKRZSA-N 0 3 237.362 3.474 20 0 BGADHN CC(C)[C@@H]1N(Cc2ccc(O)cc2)CC1(C)C ZINC000646221137 388167813 /nfs/dbraw/zinc/16/78/13/388167813.db2.gz UYBKGKGOYAOKLF-AWEZNQCLSA-N 0 3 233.355 3.259 20 0 BGADHN CC(C)[C@H]1N(Cc2ccc(O)cc2)CC1(C)C ZINC000646221138 388167543 /nfs/dbraw/zinc/16/75/43/388167543.db2.gz UYBKGKGOYAOKLF-CQSZACIVSA-N 0 3 233.355 3.259 20 0 BGADHN c1c2ccccc2sc1CNC1CSC1 ZINC000646226910 388168556 /nfs/dbraw/zinc/16/85/56/388168556.db2.gz DAKMSIYBYDNVAY-UHFFFAOYSA-N 0 3 235.377 3.106 20 0 BGADHN CC(F)(F)c1ccc(CNC2CSC2)cc1 ZINC000646227008 388168612 /nfs/dbraw/zinc/16/86/12/388168612.db2.gz ZHUJNXDVYCBBCI-UHFFFAOYSA-N 0 3 243.322 3.003 20 0 BGADHN CCc1noc(C)c1CNC[C@H](C)C(C)(C)C ZINC000646237874 387140700 /nfs/dbraw/zinc/14/07/00/387140700.db2.gz MOJOCBQBXXSBAE-JTQLQIEISA-N 0 3 238.375 3.317 20 0 BGADHN CCc1noc(C)c1CNC[C@@H](C)C(C)(C)C ZINC000646237875 387140439 /nfs/dbraw/zinc/14/04/39/387140439.db2.gz MOJOCBQBXXSBAE-SNVBAGLBSA-N 0 3 238.375 3.317 20 0 BGADHN c1c2ccccc2sc1CCNC1CSC1 ZINC000646244256 388170218 /nfs/dbraw/zinc/17/02/18/388170218.db2.gz HLVXBAOYPAXRRK-UHFFFAOYSA-N 0 3 249.404 3.149 20 0 BGADHN CCc1nocc1CN(C)C[C@@H](C)C(C)(C)C ZINC000646260871 388172376 /nfs/dbraw/zinc/17/23/76/388172376.db2.gz NVMPZXHKJACASV-LLVKDONJSA-N 0 3 238.375 3.351 20 0 BGADHN CCc1nocc1CN(C)C[C@H](C)C(C)(C)C ZINC000646260872 388171272 /nfs/dbraw/zinc/17/12/72/388171272.db2.gz NVMPZXHKJACASV-NSHDSACASA-N 0 3 238.375 3.351 20 0 BGADHN CC(C)CC(C)(C)C(=O)Nc1cccc(CN)c1 ZINC000646578025 388387628 /nfs/dbraw/zinc/38/76/28/388387628.db2.gz COIXWZBIFQXJQO-UHFFFAOYSA-N 0 3 248.370 3.156 20 0 BGADHN CCCC1(C(=O)Nc2cccc(CN)c2)CCC1 ZINC000646578101 388387938 /nfs/dbraw/zinc/38/79/38/388387938.db2.gz JSAZJLXCHNYBRC-UHFFFAOYSA-N 0 3 246.354 3.054 20 0 BGADHN CC[C@H](CC(=O)Nc1cccc(CN)c1)C(C)C ZINC000646578777 388389018 /nfs/dbraw/zinc/38/90/18/388389018.db2.gz DZJVKXWIIAEXHL-CYBMUJFWSA-N 0 3 248.370 3.156 20 0 BGADHN CC[C@@H](CC(=O)Nc1cccc(CN)c1)C(C)C ZINC000646578778 388388550 /nfs/dbraw/zinc/38/85/50/388388550.db2.gz DZJVKXWIIAEXHL-ZDUSSCGKSA-N 0 3 248.370 3.156 20 0 BGADHN CCC(CC)[C@@H](C)C(=O)Nc1cccc(CN)c1 ZINC000646578996 388388579 /nfs/dbraw/zinc/38/85/79/388388579.db2.gz NAHMWSOXVBPCNR-LLVKDONJSA-N 0 3 248.370 3.156 20 0 BGADHN CCC(CC)[C@H](C)C(=O)Nc1cccc(CN)c1 ZINC000646578997 388388893 /nfs/dbraw/zinc/38/88/93/388388893.db2.gz NAHMWSOXVBPCNR-NSHDSACASA-N 0 3 248.370 3.156 20 0 BGADHN CCC[C@H](C(=O)Nc1cccc(CN)c1)C(C)C ZINC000646579387 388389217 /nfs/dbraw/zinc/38/92/17/388389217.db2.gz WXBPFQYUAFSYRJ-AWEZNQCLSA-N 0 3 248.370 3.156 20 0 BGADHN CCC[C@@H](C(=O)Nc1cccc(CN)c1)C(C)C ZINC000646579388 388388713 /nfs/dbraw/zinc/38/87/13/388388713.db2.gz WXBPFQYUAFSYRJ-CQSZACIVSA-N 0 3 248.370 3.156 20 0 BGADHN CC(C)(C)CCCC(=O)Nc1cccc(CN)c1 ZINC000646579473 388388750 /nfs/dbraw/zinc/38/87/50/388388750.db2.gz XHXIQFXHTXUCAJ-UHFFFAOYSA-N 0 3 248.370 3.300 20 0 BGADHN CC(C)C[C@@H](C)CC(=O)Nc1cccc(CN)c1 ZINC000646579745 388388244 /nfs/dbraw/zinc/38/82/44/388388244.db2.gz PLWJHZMTJHKTSO-GFCCVEGCSA-N 0 3 248.370 3.156 20 0 BGADHN CC(C)C[C@H](C)CC(=O)Nc1cccc(CN)c1 ZINC000646579746 388389073 /nfs/dbraw/zinc/38/90/73/388389073.db2.gz PLWJHZMTJHKTSO-LBPRGKRZSA-N 0 3 248.370 3.156 20 0 BGADHN CC(C)CCCNCc1ccnn1CC(C)C ZINC000647169258 384340248 /nfs/dbraw/zinc/34/02/48/384340248.db2.gz HZGCHDCVIJBDGM-UHFFFAOYSA-N 0 3 237.391 3.065 20 0 BGADHN Cc1c2ccccc2oc1CN[C@H]1CO[C@@H](C)C1 ZINC000647183747 384605614 /nfs/dbraw/zinc/60/56/14/384605614.db2.gz LBMMLFQBRNRZPS-CMPLNLGQSA-N 0 3 245.322 3.008 20 0 BGADHN Cc1c2ccccc2oc1CN[C@@H]1CO[C@@H](C)C1 ZINC000647183748 384604888 /nfs/dbraw/zinc/60/48/88/384604888.db2.gz LBMMLFQBRNRZPS-JQWIXIFHSA-N 0 3 245.322 3.008 20 0 BGADHN Cc1c2ccccc2oc1CN[C@@H]1CO[C@H](C)C1 ZINC000647183749 384604001 /nfs/dbraw/zinc/60/40/01/384604001.db2.gz LBMMLFQBRNRZPS-PWSUYJOCSA-N 0 3 245.322 3.008 20 0 BGADHN Cc1c2ccccc2oc1CN[C@H]1CO[C@H](C)C1 ZINC000647183750 384603215 /nfs/dbraw/zinc/60/32/15/384603215.db2.gz LBMMLFQBRNRZPS-ZYHUDNBSSA-N 0 3 245.322 3.008 20 0 BGADHN CC(C)Cn1nccc1CNCC1(C(C)C)CC1 ZINC000647190758 384710276 /nfs/dbraw/zinc/71/02/76/384710276.db2.gz NRXKDJMOALLXGL-UHFFFAOYSA-N 0 3 249.402 3.065 20 0 BGADHN CCCC1(CNCc2ccnn2CC(C)C)CC1 ZINC000647191918 384732017 /nfs/dbraw/zinc/73/20/17/384732017.db2.gz HMTJGZYIGKBJEM-UHFFFAOYSA-N 0 3 249.402 3.209 20 0 BGADHN CC(C)Cn1nccc1CNCCC1=CCCC1 ZINC000647195773 384783670 /nfs/dbraw/zinc/78/36/70/384783670.db2.gz CNEGKMJQZVREGJ-UHFFFAOYSA-N 0 3 247.386 3.129 20 0 BGADHN CC(C)c1cccc(CN[C@@H]2CO[C@H](C)C2)c1 ZINC000647203194 384913445 /nfs/dbraw/zinc/91/34/45/384913445.db2.gz PCAXYSPSKBMIPI-DOMZBBRYSA-N 0 3 233.355 3.077 20 0 BGADHN CC(C)c1cccc(CN[C@H]2CO[C@H](C)C2)c1 ZINC000647203195 384914361 /nfs/dbraw/zinc/91/43/61/384914361.db2.gz PCAXYSPSKBMIPI-IUODEOHRSA-N 0 3 233.355 3.077 20 0 BGADHN CC(C)c1cccc(CN[C@H]2CO[C@@H](C)C2)c1 ZINC000647203196 384913858 /nfs/dbraw/zinc/91/38/58/384913858.db2.gz PCAXYSPSKBMIPI-SWLSCSKDSA-N 0 3 233.355 3.077 20 0 BGADHN CC(C)c1cccc(CN[C@@H]2CO[C@@H](C)C2)c1 ZINC000647203197 384915508 /nfs/dbraw/zinc/91/55/08/384915508.db2.gz PCAXYSPSKBMIPI-WFASDCNBSA-N 0 3 233.355 3.077 20 0 BGADHN C[C@@H](N[C@H]1CO[C@@H](C)C1)c1cc2ccccc2o1 ZINC000647204772 398288830 /nfs/dbraw/zinc/28/88/30/398288830.db2.gz LGUHJNITAJBBIQ-DMDPSCGWSA-N 0 3 245.322 3.261 20 0 BGADHN C[C@@H](N[C@@H]1CO[C@@H](C)C1)c1cc2ccccc2o1 ZINC000647204773 398288641 /nfs/dbraw/zinc/28/86/41/398288641.db2.gz LGUHJNITAJBBIQ-LOWVWBTDSA-N 0 3 245.322 3.261 20 0 BGADHN C[C@H](N[C@H]1CO[C@@H](C)C1)c1cc2ccccc2o1 ZINC000647205209 384985189 /nfs/dbraw/zinc/98/51/89/384985189.db2.gz LGUHJNITAJBBIQ-GMXVVIOVSA-N 0 3 245.322 3.261 20 0 BGADHN C[C@H](N[C@@H]1CO[C@@H](C)C1)c1cc2ccccc2o1 ZINC000647205210 384983522 /nfs/dbraw/zinc/98/35/22/384983522.db2.gz LGUHJNITAJBBIQ-GVXVVHGQSA-N 0 3 245.322 3.261 20 0 BGADHN C[C@H]1C[C@H](NCc2ccc3sccc3c2)CO1 ZINC000647211859 383936824 /nfs/dbraw/zinc/93/68/24/383936824.db2.gz IQTHHOGMRIXWIQ-GWCFXTLKSA-N 0 3 247.363 3.168 20 0 BGADHN C[C@H]1C[C@@H](NCc2ccc3sccc3c2)CO1 ZINC000647211860 383937086 /nfs/dbraw/zinc/93/70/86/383937086.db2.gz IQTHHOGMRIXWIQ-GXFFZTMASA-N 0 3 247.363 3.168 20 0 BGADHN C[C@@H]1C[C@H](NCc2ccc3sccc3c2)CO1 ZINC000647211861 383936490 /nfs/dbraw/zinc/93/64/90/383936490.db2.gz IQTHHOGMRIXWIQ-MFKMUULPSA-N 0 3 247.363 3.168 20 0 BGADHN C[C@@H]1C[C@@H](NCc2ccc3sccc3c2)CO1 ZINC000647211862 383935983 /nfs/dbraw/zinc/93/59/83/383935983.db2.gz IQTHHOGMRIXWIQ-ZWNOBZJWSA-N 0 3 247.363 3.168 20 0 BGADHN CC(C)Cn1nccc1CNCC1=CCCCC1 ZINC000647214084 383984108 /nfs/dbraw/zinc/98/41/08/383984108.db2.gz MSCFJZXWVKEVNR-UHFFFAOYSA-N 0 3 247.386 3.129 20 0 BGADHN CC(C)C[C@@H]1C[C@H]1NCc1ccnn1CC(C)C ZINC000647217573 384038599 /nfs/dbraw/zinc/03/85/99/384038599.db2.gz XAKIEZDSHQKKSQ-UKRRQHHQSA-N 0 3 249.402 3.063 20 0 BGADHN Cc1ccccc1C1(NCc2ccn(C)c2)CC1 ZINC000647224310 384273543 /nfs/dbraw/zinc/27/35/43/384273543.db2.gz ARTPBHOYRKFJGR-UHFFFAOYSA-N 0 3 240.350 3.112 20 0 BGADHN Cc1ccccc1C1(N[C@@H]2C[C@H](C)O[C@@H]2C)CC1 ZINC000647224312 384274463 /nfs/dbraw/zinc/27/44/63/384274463.db2.gz AVXFFGSJYPMVLJ-GZBFAFLISA-N 0 3 245.366 3.140 20 0 BGADHN Cc1ccccc1C1(N[C@@H]2C[C@H](C)O[C@H]2C)CC1 ZINC000647224313 384274373 /nfs/dbraw/zinc/27/43/73/384274373.db2.gz AVXFFGSJYPMVLJ-KCQAQPDRSA-N 0 3 245.366 3.140 20 0 BGADHN Cc1ccccc1C1(N[C@@H]2C[C@@H](C)O[C@@H]2C)CC1 ZINC000647224314 384272120 /nfs/dbraw/zinc/27/21/20/384272120.db2.gz AVXFFGSJYPMVLJ-UMVBOHGHSA-N 0 3 245.366 3.140 20 0 BGADHN Cc1ccccc1C1(N[C@@H]2C[C@@H](C)O[C@H]2C)CC1 ZINC000647224315 384273708 /nfs/dbraw/zinc/27/37/08/384273708.db2.gz AVXFFGSJYPMVLJ-VNHYZAJKSA-N 0 3 245.366 3.140 20 0 BGADHN Cc1ccccc1C1(NCc2cc[nH]c2)CC1 ZINC000647224490 384279709 /nfs/dbraw/zinc/27/97/09/384279709.db2.gz KPULKSAOVKCMNT-UHFFFAOYSA-N 0 3 226.323 3.102 20 0 BGADHN Cc1ccccc1C1(NCc2cccn2C)CC1 ZINC000647224682 384277906 /nfs/dbraw/zinc/27/79/06/384277906.db2.gz UMPKGBGENDYAHJ-UHFFFAOYSA-N 0 3 240.350 3.112 20 0 BGADHN C[C@@H](CNCc1ccc(Cl)o1)CC(F)F ZINC000647224928 384285776 /nfs/dbraw/zinc/28/57/76/384285776.db2.gz AZFUFGNZQDBWSV-SSDOTTSWSA-N 0 3 237.677 3.314 20 0 BGADHN C[C@H](CNCc1ccc(Cl)o1)CC(F)F ZINC000647224929 384286775 /nfs/dbraw/zinc/28/67/75/384286775.db2.gz AZFUFGNZQDBWSV-ZETCQYMHSA-N 0 3 237.677 3.314 20 0 BGADHN C[C@@H](CNCc1ccc(F)cc1F)CC(F)F ZINC000647224957 384290525 /nfs/dbraw/zinc/29/05/25/384290525.db2.gz CXQJQMDKYRUXMY-MRVPVSSYSA-N 0 3 249.251 3.346 20 0 BGADHN C[C@H](CNCc1ccc(F)cc1F)CC(F)F ZINC000647224958 384289294 /nfs/dbraw/zinc/28/92/94/384289294.db2.gz CXQJQMDKYRUXMY-QMMMGPOBSA-N 0 3 249.251 3.346 20 0 BGADHN C[C@@H](CNCc1c(F)cccc1F)CC(F)F ZINC000647225052 384293366 /nfs/dbraw/zinc/29/33/66/384293366.db2.gz KFJPEPIFESUZRH-MRVPVSSYSA-N 0 3 249.251 3.346 20 0 BGADHN C[C@H](CNCc1c(F)cccc1F)CC(F)F ZINC000647225053 384292674 /nfs/dbraw/zinc/29/26/74/384292674.db2.gz KFJPEPIFESUZRH-QMMMGPOBSA-N 0 3 249.251 3.346 20 0 BGADHN CCc1nc(CNC[C@H](C)CC(F)F)cs1 ZINC000647225405 384304794 /nfs/dbraw/zinc/30/47/94/384304794.db2.gz DBUCOQIIFIIPQN-MRVPVSSYSA-N 0 3 248.342 3.086 20 0 BGADHN CCc1nc(CNC[C@@H](C)CC(F)F)cs1 ZINC000647225406 384304197 /nfs/dbraw/zinc/30/41/97/384304197.db2.gz DBUCOQIIFIIPQN-QMMMGPOBSA-N 0 3 248.342 3.086 20 0 BGADHN C[C@@H](CNCc1cc(F)ccc1F)CC(F)F ZINC000647225603 384308474 /nfs/dbraw/zinc/30/84/74/384308474.db2.gz OXKHOCKTXAAVLQ-MRVPVSSYSA-N 0 3 249.251 3.346 20 0 BGADHN C[C@H](CNCc1cc(F)ccc1F)CC(F)F ZINC000647225604 384306020 /nfs/dbraw/zinc/30/60/20/384306020.db2.gz OXKHOCKTXAAVLQ-QMMMGPOBSA-N 0 3 249.251 3.346 20 0 BGADHN C[C@@H](CNCc1cccc(F)c1F)CC(F)F ZINC000647225780 384374191 /nfs/dbraw/zinc/37/41/91/384374191.db2.gz ADTFUJHKVWROAP-MRVPVSSYSA-N 0 3 249.251 3.346 20 0 BGADHN C[C@H](CNCc1cccc(F)c1F)CC(F)F ZINC000647225781 384375542 /nfs/dbraw/zinc/37/55/42/384375542.db2.gz ADTFUJHKVWROAP-QMMMGPOBSA-N 0 3 249.251 3.346 20 0 BGADHN CCc1ccc(CNC[C@H](C)CC(F)F)o1 ZINC000647225784 384374662 /nfs/dbraw/zinc/37/46/62/384374662.db2.gz ALCZNDNPGFPTKJ-SECBINFHSA-N 0 3 231.286 3.223 20 0 BGADHN CCc1ccc(CNC[C@@H](C)CC(F)F)o1 ZINC000647225785 384374733 /nfs/dbraw/zinc/37/47/33/384374733.db2.gz ALCZNDNPGFPTKJ-VIFPVBQESA-N 0 3 231.286 3.223 20 0 BGADHN CCc1cnc(CNC[C@H](C)CC(F)F)s1 ZINC000647226834 384401944 /nfs/dbraw/zinc/40/19/44/384401944.db2.gz YRPVDYSLSXZQDZ-MRVPVSSYSA-N 0 3 248.342 3.086 20 0 BGADHN CCc1cnc(CNC[C@@H](C)CC(F)F)s1 ZINC000647226835 384403432 /nfs/dbraw/zinc/40/34/32/384403432.db2.gz YRPVDYSLSXZQDZ-QMMMGPOBSA-N 0 3 248.342 3.086 20 0 BGADHN COc1ccccc1C1(N[C@H](C)[C@@H]2C[C@H]2C)CC1 ZINC000647232492 384696905 /nfs/dbraw/zinc/69/69/05/384696905.db2.gz FMSRBGLDSMPMHC-JHJVBQTASA-N 0 3 245.366 3.318 20 0 BGADHN COc1ccccc1C1(N[C@H](C)[C@H]2C[C@H]2C)CC1 ZINC000647232493 384696410 /nfs/dbraw/zinc/69/64/10/384696410.db2.gz FMSRBGLDSMPMHC-UPJWGTAASA-N 0 3 245.366 3.318 20 0 BGADHN COc1ccccc1C1(N[C@H](C)[C@H]2C[C@@H]2C)CC1 ZINC000647232494 384696813 /nfs/dbraw/zinc/69/68/13/384696813.db2.gz FMSRBGLDSMPMHC-XQQFMLRXSA-N 0 3 245.366 3.318 20 0 BGADHN COc1ccccc1C1(N[C@H](C)[C@@H]2C[C@@H]2C)CC1 ZINC000647232495 384695726 /nfs/dbraw/zinc/69/57/26/384695726.db2.gz FMSRBGLDSMPMHC-YNEHKIRRSA-N 0 3 245.366 3.318 20 0 BGADHN COc1ccccc1C1(N[C@H](C)C2CC2)CC1 ZINC000647233038 384705822 /nfs/dbraw/zinc/70/58/22/384705822.db2.gz PLMZEWOUGCHQFS-LLVKDONJSA-N 0 3 231.339 3.072 20 0 BGADHN COc1ccccc1C1(N[C@@H](C)C2CC2)CC1 ZINC000647233039 384704648 /nfs/dbraw/zinc/70/46/48/384704648.db2.gz PLMZEWOUGCHQFS-NSHDSACASA-N 0 3 231.339 3.072 20 0 BGADHN Fc1cccc(C2(NCc3cc[nH]c3)CCC2)c1 ZINC000647233353 384715314 /nfs/dbraw/zinc/71/53/14/384715314.db2.gz LCKQXDIEGIOERF-UHFFFAOYSA-N 0 3 244.313 3.323 20 0 BGADHN c1nc(CN[C@H](C2CCC2)C2CCCC2)co1 ZINC000647235537 384757770 /nfs/dbraw/zinc/75/77/70/384757770.db2.gz LUTDAIUHSFBZIL-AWEZNQCLSA-N 0 3 234.343 3.123 20 0 BGADHN c1nc(CN[C@@H](C2CCC2)C2CCCC2)co1 ZINC000647235538 384757507 /nfs/dbraw/zinc/75/75/07/384757507.db2.gz LUTDAIUHSFBZIL-CQSZACIVSA-N 0 3 234.343 3.123 20 0 BGADHN Cc1cccc(C2(NCc3cc[nH]c3)CCC2)c1 ZINC000647236737 384821032 /nfs/dbraw/zinc/82/10/32/384821032.db2.gz AJBUZUUPTMPQJL-UHFFFAOYSA-N 0 3 240.350 3.492 20 0 BGADHN Cc1cccc(C2(N[C@H]3CO[C@@H](C)C3)CCC2)c1 ZINC000647236766 384821039 /nfs/dbraw/zinc/82/10/39/384821039.db2.gz FNVJMZDOACDXPH-DZGCQCFKSA-N 0 3 245.366 3.141 20 0 BGADHN Cc1cccc(C2(N[C@@H]3CO[C@H](C)C3)CCC2)c1 ZINC000647236767 384822097 /nfs/dbraw/zinc/82/20/97/384822097.db2.gz FNVJMZDOACDXPH-HIFRSBDPSA-N 0 3 245.366 3.141 20 0 BGADHN Cc1cccc(C2(N[C@H]3CO[C@H](C)C3)CCC2)c1 ZINC000647236768 384821468 /nfs/dbraw/zinc/82/14/68/384821468.db2.gz FNVJMZDOACDXPH-UKRRQHHQSA-N 0 3 245.366 3.141 20 0 BGADHN Cc1cccc(C2(N[C@@H]3CO[C@@H](C)C3)CCC2)c1 ZINC000647236769 384820770 /nfs/dbraw/zinc/82/07/70/384820770.db2.gz FNVJMZDOACDXPH-ZFWWWQNUSA-N 0 3 245.366 3.141 20 0 BGADHN Cc1occc1CN[C@H]1C[C@@H](OC(C)(C)C)C1 ZINC000647247915 385171793 /nfs/dbraw/zinc/17/17/93/385171793.db2.gz LIOWASQITXULCM-BETUJISGSA-N 0 3 237.343 3.024 20 0 BGADHN Cc1ccoc1CN[C@H]1C[C@@H](OC(C)(C)C)C1 ZINC000647248465 385196647 /nfs/dbraw/zinc/19/66/47/385196647.db2.gz ZDMMWCKBUSGHRU-TXEJJXNPSA-N 0 3 237.343 3.024 20 0 BGADHN CC(C)(C)O[C@H]1C[C@@H](NCc2ccsc2)C1 ZINC000647248475 385200043 /nfs/dbraw/zinc/20/00/43/385200043.db2.gz AENCGOWEHXRJSF-TXEJJXNPSA-N 0 3 239.384 3.184 20 0 BGADHN Cc1ccc(CN[C@H]2C[C@@H](OC(C)(C)C)C2)o1 ZINC000647248488 385199681 /nfs/dbraw/zinc/19/96/81/385199681.db2.gz BLAYURDOGMZYNH-BJHJDKERSA-N 0 3 237.343 3.024 20 0 BGADHN c1c[nH]c(CN[C@H](C2CCC2)C2CCCCC2)n1 ZINC000647250137 385251939 /nfs/dbraw/zinc/25/19/39/385251939.db2.gz FYRDEWUOMFFOLE-HNNXBMFYSA-N 0 3 247.386 3.248 20 0 BGADHN c1c[nH]c(CN[C@@H](C2CCC2)C2CCCCC2)n1 ZINC000647250138 385252055 /nfs/dbraw/zinc/25/20/55/385252055.db2.gz FYRDEWUOMFFOLE-OAHLLOKOSA-N 0 3 247.386 3.248 20 0 BGADHN Cc1cnc(CNCC2CCC(F)CC2)s1 ZINC000647252483 383913183 /nfs/dbraw/zinc/91/31/83/383913183.db2.gz HFYBETZBAKDLNO-UHFFFAOYSA-N 0 3 242.363 3.069 20 0 BGADHN CCc1ccc(CNCC2CCC(F)CC2)o1 ZINC000647252852 383925740 /nfs/dbraw/zinc/92/57/40/383925740.db2.gz ZIRPXGNLNVUSJQ-UHFFFAOYSA-N 0 3 239.334 3.460 20 0 BGADHN Cc1nc(CNCC2CCC(F)CC2)cs1 ZINC000647252967 383934288 /nfs/dbraw/zinc/93/42/88/383934288.db2.gz FNHYJDAWXXHVDV-UHFFFAOYSA-N 0 3 242.363 3.069 20 0 BGADHN Cc1ccc(CNCC2CCC(F)CC2)o1 ZINC000647253138 383949737 /nfs/dbraw/zinc/94/97/37/383949737.db2.gz SVCZZYGDYBRINZ-UHFFFAOYSA-N 0 3 225.307 3.206 20 0 BGADHN Cc1ccc2oc(CN[C@@H]3CO[C@@H](C)C3)cc2c1 ZINC000647253363 488018790 /nfs/dbraw/zinc/01/87/90/488018790.db2.gz MYNLJMYGKKMCOS-AAEUAGOBSA-N 0 3 245.322 3.008 20 0 BGADHN Cc1ccc2oc(CN[C@H]3CO[C@H](C)C3)cc2c1 ZINC000647253364 488018378 /nfs/dbraw/zinc/01/83/78/488018378.db2.gz MYNLJMYGKKMCOS-DGCLKSJQSA-N 0 3 245.322 3.008 20 0 BGADHN Cc1ccc2oc(CN[C@H]3CO[C@@H](C)C3)cc2c1 ZINC000647253365 488018935 /nfs/dbraw/zinc/01/89/35/488018935.db2.gz MYNLJMYGKKMCOS-WCQYABFASA-N 0 3 245.322 3.008 20 0 BGADHN Cc1ccc2oc(CN[C@@H]3CO[C@H](C)C3)cc2c1 ZINC000647253366 488018640 /nfs/dbraw/zinc/01/86/40/488018640.db2.gz MYNLJMYGKKMCOS-YPMHNXCESA-N 0 3 245.322 3.008 20 0 BGADHN CC[C@H](N[C@H]1CO[C@@H](C)C1)c1csc(C)c1 ZINC000647254449 383990363 /nfs/dbraw/zinc/99/03/63/383990363.db2.gz NXQDGNNYOHXQTE-BIMULSAOSA-N 0 3 239.384 3.275 20 0 BGADHN CC[C@H](N[C@@H]1CO[C@H](C)C1)c1csc(C)c1 ZINC000647254450 383990458 /nfs/dbraw/zinc/99/04/58/383990458.db2.gz NXQDGNNYOHXQTE-ICCXJUOJSA-N 0 3 239.384 3.275 20 0 BGADHN CC[C@H](N[C@H]1CO[C@H](C)C1)c1csc(C)c1 ZINC000647254451 383989765 /nfs/dbraw/zinc/98/97/65/383989765.db2.gz NXQDGNNYOHXQTE-WQAKAFBOSA-N 0 3 239.384 3.275 20 0 BGADHN CC[C@H](N[C@@H]1CO[C@@H](C)C1)c1csc(C)c1 ZINC000647254452 383990984 /nfs/dbraw/zinc/99/09/84/383990984.db2.gz NXQDGNNYOHXQTE-XDTLVQLUSA-N 0 3 239.384 3.275 20 0 BGADHN C[C@H](Cc1ccc(F)cc1)NC1(CF)CCC1 ZINC000647254844 384008142 /nfs/dbraw/zinc/00/81/42/384008142.db2.gz BMXJYMHIPDTFLE-LLVKDONJSA-N 0 3 239.309 3.239 20 0 BGADHN C[C@@H](Cc1ccc(F)cc1)NC1(CF)CCC1 ZINC000647254845 384006179 /nfs/dbraw/zinc/00/61/79/384006179.db2.gz BMXJYMHIPDTFLE-NSHDSACASA-N 0 3 239.309 3.239 20 0 BGADHN Cc1ccc(C2(N[C@H]3CO[C@@H](C)C3)CCC2)cc1 ZINC000647254907 384007811 /nfs/dbraw/zinc/00/78/11/384007811.db2.gz NNFZVFINUFAHCP-DZGCQCFKSA-N 0 3 245.366 3.141 20 0 BGADHN Cc1ccc(C2(N[C@@H]3CO[C@H](C)C3)CCC2)cc1 ZINC000647254908 384008007 /nfs/dbraw/zinc/00/80/07/384008007.db2.gz NNFZVFINUFAHCP-HIFRSBDPSA-N 0 3 245.366 3.141 20 0 BGADHN Cc1ccc(C2(N[C@H]3CO[C@H](C)C3)CCC2)cc1 ZINC000647254909 384007666 /nfs/dbraw/zinc/00/76/66/384007666.db2.gz NNFZVFINUFAHCP-UKRRQHHQSA-N 0 3 245.366 3.141 20 0 BGADHN Cc1ccc(C2(N[C@@H]3CO[C@@H](C)C3)CCC2)cc1 ZINC000647254910 384006782 /nfs/dbraw/zinc/00/67/82/384006782.db2.gz NNFZVFINUFAHCP-ZFWWWQNUSA-N 0 3 245.366 3.141 20 0 BGADHN Cc1ccc(C2(NCc3cc[nH]c3)CCC2)cc1 ZINC000647255279 384023320 /nfs/dbraw/zinc/02/33/20/384023320.db2.gz PXFNEIZXLNFZRM-UHFFFAOYSA-N 0 3 240.350 3.492 20 0 BGADHN c1sc(C2CC2)nc1CN[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000647256522 384045198 /nfs/dbraw/zinc/04/51/98/384045198.db2.gz VOOHEXFRONPEMO-IJLUTSLNSA-N 0 3 248.395 3.299 20 0 BGADHN c1sc(C2CC2)nc1CN[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000647256524 384044756 /nfs/dbraw/zinc/04/47/56/384044756.db2.gz VOOHEXFRONPEMO-SDDRHHMPSA-N 0 3 248.395 3.299 20 0 BGADHN COc1ccc(F)c(CN[C@@H]2CC[C@H]3C[C@H]3C2)c1 ZINC000647257057 384052680 /nfs/dbraw/zinc/05/26/80/384052680.db2.gz OZHDLBRCTIEPJT-GMXVVIOVSA-N 0 3 249.329 3.113 20 0 BGADHN COc1ccc(F)c(CN[C@@H]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000647257058 384053938 /nfs/dbraw/zinc/05/39/38/384053938.db2.gz OZHDLBRCTIEPJT-NQBHXWOUSA-N 0 3 249.329 3.113 20 0 BGADHN C[C@H]1SCC[C@H]1NCc1cscc1Cl ZINC000647257994 384081858 /nfs/dbraw/zinc/08/18/58/384081858.db2.gz IILADSTWKRBMIP-GMSGAONNSA-N 0 3 247.816 3.385 20 0 BGADHN C[C@@H]1SCC[C@H]1NCc1cscc1Cl ZINC000647257995 384081104 /nfs/dbraw/zinc/08/11/04/384081104.db2.gz IILADSTWKRBMIP-OIBJUYFYSA-N 0 3 247.816 3.385 20 0 BGADHN C[C@H]1SCC[C@@H]1NCc1cscc1Cl ZINC000647257996 384081614 /nfs/dbraw/zinc/08/16/14/384081614.db2.gz IILADSTWKRBMIP-XCBNKYQSSA-N 0 3 247.816 3.385 20 0 BGADHN C[C@@H]1SCC[C@@H]1NCc1cscc1Cl ZINC000647257997 384081539 /nfs/dbraw/zinc/08/15/39/384081539.db2.gz IILADSTWKRBMIP-XVKPBYJWSA-N 0 3 247.816 3.385 20 0 BGADHN CCC(CC)N[C@H](C)c1cc2n(n1)CCCC2 ZINC000647279963 384652660 /nfs/dbraw/zinc/65/26/60/384652660.db2.gz JCKDAXSJJAAZSO-LLVKDONJSA-N 0 3 235.375 3.059 20 0 BGADHN CCC(CC)N[C@@H](C)c1cc2n(n1)CCCC2 ZINC000647279964 384651538 /nfs/dbraw/zinc/65/15/38/384651538.db2.gz JCKDAXSJJAAZSO-NSHDSACASA-N 0 3 235.375 3.059 20 0 BGADHN CCC[C@@H](C)N[C@@H](C)c1cc2n(n1)CCCC2 ZINC000647280092 384652394 /nfs/dbraw/zinc/65/23/94/384652394.db2.gz UBNVJYPEHWIHOB-NEPJUHHUSA-N 0 3 235.375 3.059 20 0 BGADHN CCC[C@H](C)N[C@H](C)c1cc2n(n1)CCCC2 ZINC000647280093 384652981 /nfs/dbraw/zinc/65/29/81/384652981.db2.gz UBNVJYPEHWIHOB-NWDGAFQWSA-N 0 3 235.375 3.059 20 0 BGADHN CCC[C@H](C)N[C@@H](C)c1cc2n(n1)CCCC2 ZINC000647280094 384652587 /nfs/dbraw/zinc/65/25/87/384652587.db2.gz UBNVJYPEHWIHOB-RYUDHWBXSA-N 0 3 235.375 3.059 20 0 BGADHN CCC[C@@H](C)N[C@H](C)c1cc2n(n1)CCCC2 ZINC000647280095 384652743 /nfs/dbraw/zinc/65/27/43/384652743.db2.gz UBNVJYPEHWIHOB-VXGBXAGGSA-N 0 3 235.375 3.059 20 0 BGADHN C[C@@H](NC1CCCCC1)c1cc2n(n1)CCCC2 ZINC000647280284 384663730 /nfs/dbraw/zinc/66/37/30/384663730.db2.gz CDNNDNNIFUXQOU-GFCCVEGCSA-N 0 3 247.386 3.203 20 0 BGADHN C[C@H](NC1CCCCC1)c1cc2n(n1)CCCC2 ZINC000647280285 384664120 /nfs/dbraw/zinc/66/41/20/384664120.db2.gz CDNNDNNIFUXQOU-LBPRGKRZSA-N 0 3 247.386 3.203 20 0 BGADHN CCCCCN[C@H](C)c1cc2n(n1)CCCC2 ZINC000647280573 384656691 /nfs/dbraw/zinc/65/66/91/384656691.db2.gz UHGAFYNIFQYXMU-GFCCVEGCSA-N 0 3 235.375 3.060 20 0 BGADHN CCCCCN[C@@H](C)c1cc2n(n1)CCCC2 ZINC000647280574 384656608 /nfs/dbraw/zinc/65/66/08/384656608.db2.gz UHGAFYNIFQYXMU-LBPRGKRZSA-N 0 3 235.375 3.060 20 0 BGADHN CC(C)CCCN[C@H](C)c1cc2n(n1)CCCC2 ZINC000647281330 398339106 /nfs/dbraw/zinc/33/91/06/398339106.db2.gz IBBVZSHWPGODCZ-CYBMUJFWSA-N 0 3 249.402 3.306 20 0 BGADHN CC(C)CCCN[C@@H](C)c1cc2n(n1)CCCC2 ZINC000647281331 398339122 /nfs/dbraw/zinc/33/91/22/398339122.db2.gz IBBVZSHWPGODCZ-ZDUSSCGKSA-N 0 3 249.402 3.306 20 0 BGADHN C[C@@H](NCC1CCCC1)c1cc2n(n1)CCCC2 ZINC000647284458 384730867 /nfs/dbraw/zinc/73/08/67/384730867.db2.gz QWWVYQHPKDSSFU-GFCCVEGCSA-N 0 3 247.386 3.060 20 0 BGADHN C[C@H](NCC1CCCC1)c1cc2n(n1)CCCC2 ZINC000647284459 384731019 /nfs/dbraw/zinc/73/10/19/384731019.db2.gz QWWVYQHPKDSSFU-LBPRGKRZSA-N 0 3 247.386 3.060 20 0 BGADHN CC[C@H](C)[C@H](C)N[C@@H](C)c1cc2n(n1)CCCC2 ZINC000647284653 384731153 /nfs/dbraw/zinc/73/11/53/384731153.db2.gz YOIOKDDEVIASAV-AVGNSLFASA-N 0 3 249.402 3.305 20 0 BGADHN CC[C@H](C)[C@H](C)N[C@H](C)c1cc2n(n1)CCCC2 ZINC000647284654 384730995 /nfs/dbraw/zinc/73/09/95/384730995.db2.gz YOIOKDDEVIASAV-RWMBFGLXSA-N 0 3 249.402 3.305 20 0 BGADHN CC[C@H](C)[C@@H](C)N[C@@H](C)c1cc2n(n1)CCCC2 ZINC000647284655 384730549 /nfs/dbraw/zinc/73/05/49/384730549.db2.gz YOIOKDDEVIASAV-XQQFMLRXSA-N 0 3 249.402 3.305 20 0 BGADHN CC[C@H](C)[C@@H](C)N[C@H](C)c1cc2n(n1)CCCC2 ZINC000647284656 384730162 /nfs/dbraw/zinc/73/01/62/384730162.db2.gz YOIOKDDEVIASAV-YNEHKIRRSA-N 0 3 249.402 3.305 20 0 BGADHN C[C@@H](NCCC(C)(C)C)c1cc2n(n1)CCCC2 ZINC000647284852 384738796 /nfs/dbraw/zinc/73/87/96/384738796.db2.gz MUVZNFJGAQQMHW-GFCCVEGCSA-N 0 3 249.402 3.306 20 0 BGADHN C[C@H](NCCC(C)(C)C)c1cc2n(n1)CCCC2 ZINC000647284853 384738872 /nfs/dbraw/zinc/73/88/72/384738872.db2.gz MUVZNFJGAQQMHW-LBPRGKRZSA-N 0 3 249.402 3.306 20 0 BGADHN CCC(CC)CN[C@H](C)c1cc2n(n1)CCCC2 ZINC000647288928 384807071 /nfs/dbraw/zinc/80/70/71/384807071.db2.gz VDFDEYMLYBDLDH-GFCCVEGCSA-N 0 3 249.402 3.306 20 0 BGADHN CCC(CC)CN[C@@H](C)c1cc2n(n1)CCCC2 ZINC000647288929 384808247 /nfs/dbraw/zinc/80/82/47/384808247.db2.gz VDFDEYMLYBDLDH-LBPRGKRZSA-N 0 3 249.402 3.306 20 0 BGADHN CC(C)[C@H](C)CN[C@H](C)c1cc2n(n1)CCCC2 ZINC000647289916 384820521 /nfs/dbraw/zinc/82/05/21/384820521.db2.gz OXTNRIJJRBKHRS-CHWSQXEVSA-N 0 3 249.402 3.162 20 0 BGADHN CC(C)[C@H](C)CN[C@@H](C)c1cc2n(n1)CCCC2 ZINC000647289917 384820275 /nfs/dbraw/zinc/82/02/75/384820275.db2.gz OXTNRIJJRBKHRS-OLZOCXBDSA-N 0 3 249.402 3.162 20 0 BGADHN CC(C)[C@@H](C)CN[C@H](C)c1cc2n(n1)CCCC2 ZINC000647289918 384817808 /nfs/dbraw/zinc/81/78/08/384817808.db2.gz OXTNRIJJRBKHRS-QWHCGFSZSA-N 0 3 249.402 3.162 20 0 BGADHN CC(C)[C@@H](C)CN[C@@H](C)c1cc2n(n1)CCCC2 ZINC000647289919 384820052 /nfs/dbraw/zinc/82/00/52/384820052.db2.gz OXTNRIJJRBKHRS-STQMWFEESA-N 0 3 249.402 3.162 20 0 BGADHN CCC[C@@H](CC)N[C@H](C)c1cc2n(n1)CCCC2 ZINC000647292367 384864527 /nfs/dbraw/zinc/86/45/27/384864527.db2.gz GIKXKWVAMACAGP-CHWSQXEVSA-N 0 3 249.402 3.449 20 0 BGADHN CCC[C@H](CC)N[C@H](C)c1cc2n(n1)CCCC2 ZINC000647292368 384866770 /nfs/dbraw/zinc/86/67/70/384866770.db2.gz GIKXKWVAMACAGP-OLZOCXBDSA-N 0 3 249.402 3.449 20 0 BGADHN CCC[C@@H](CC)N[C@@H](C)c1cc2n(n1)CCCC2 ZINC000647292369 384864852 /nfs/dbraw/zinc/86/48/52/384864852.db2.gz GIKXKWVAMACAGP-QWHCGFSZSA-N 0 3 249.402 3.449 20 0 BGADHN CCC[C@H](CC)N[C@@H](C)c1cc2n(n1)CCCC2 ZINC000647292370 384865763 /nfs/dbraw/zinc/86/57/63/384865763.db2.gz GIKXKWVAMACAGP-STQMWFEESA-N 0 3 249.402 3.449 20 0 BGADHN C[C@H](N[C@H]1CCC[C@H]1C)c1cc2n(n1)CCCC2 ZINC000647293169 384874553 /nfs/dbraw/zinc/87/45/53/384874553.db2.gz VSPFTWDCBURUFJ-DYEKYZERSA-N 0 3 247.386 3.059 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@H]1C)c1cc2n(n1)CCCC2 ZINC000647293170 384874767 /nfs/dbraw/zinc/87/47/67/384874767.db2.gz VSPFTWDCBURUFJ-MBNYWOFBSA-N 0 3 247.386 3.059 20 0 BGADHN C[C@H](N[C@H]1CCC[C@@H]1C)c1cc2n(n1)CCCC2 ZINC000647293171 384874067 /nfs/dbraw/zinc/87/40/67/384874067.db2.gz VSPFTWDCBURUFJ-OBJOEFQTSA-N 0 3 247.386 3.059 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@@H]1C)c1cc2n(n1)CCCC2 ZINC000647293172 384873538 /nfs/dbraw/zinc/87/35/38/384873538.db2.gz VSPFTWDCBURUFJ-SGMGOOAPSA-N 0 3 247.386 3.059 20 0 BGADHN C[C@@H](NCCCC1CC1)c1cc2n(n1)CCCC2 ZINC000647293688 384885489 /nfs/dbraw/zinc/88/54/89/384885489.db2.gz WHDFMNDFEUFGMU-GFCCVEGCSA-N 0 3 247.386 3.060 20 0 BGADHN C[C@H](NCCCC1CC1)c1cc2n(n1)CCCC2 ZINC000647293689 384885926 /nfs/dbraw/zinc/88/59/26/384885926.db2.gz WHDFMNDFEUFGMU-LBPRGKRZSA-N 0 3 247.386 3.060 20 0 BGADHN CCC1(CN[C@H](C)c2cc3n(n2)CCCC3)CC1 ZINC000647293951 384891643 /nfs/dbraw/zinc/89/16/43/384891643.db2.gz HHMJNYVNLKXJIZ-GFCCVEGCSA-N 0 3 247.386 3.060 20 0 BGADHN CCC1(CN[C@@H](C)c2cc3n(n2)CCCC3)CC1 ZINC000647293953 384889114 /nfs/dbraw/zinc/88/91/14/384889114.db2.gz HHMJNYVNLKXJIZ-LBPRGKRZSA-N 0 3 247.386 3.060 20 0 BGADHN C[C@@H](NCC1(C)CCC1)c1cc2n(n1)CCCC2 ZINC000647294082 384894315 /nfs/dbraw/zinc/89/43/15/384894315.db2.gz NJXUUKQBJGQBSV-GFCCVEGCSA-N 0 3 247.386 3.060 20 0 BGADHN C[C@H](NCC1(C)CCC1)c1cc2n(n1)CCCC2 ZINC000647294083 384893033 /nfs/dbraw/zinc/89/30/33/384893033.db2.gz NJXUUKQBJGQBSV-LBPRGKRZSA-N 0 3 247.386 3.060 20 0 BGADHN CC(C)C[C@@H](C)N[C@H](C)c1cc2n(n1)CCCC2 ZINC000647294960 384907631 /nfs/dbraw/zinc/90/76/31/384907631.db2.gz UTSCQGWRYYABKC-CHWSQXEVSA-N 0 3 249.402 3.305 20 0 BGADHN CC(C)C[C@@H](C)N[C@@H](C)c1cc2n(n1)CCCC2 ZINC000647294961 384908179 /nfs/dbraw/zinc/90/81/79/384908179.db2.gz UTSCQGWRYYABKC-OLZOCXBDSA-N 0 3 249.402 3.305 20 0 BGADHN CC(C)C[C@H](C)N[C@H](C)c1cc2n(n1)CCCC2 ZINC000647294962 384909331 /nfs/dbraw/zinc/90/93/31/384909331.db2.gz UTSCQGWRYYABKC-QWHCGFSZSA-N 0 3 249.402 3.305 20 0 BGADHN CC(C)C[C@H](C)N[C@@H](C)c1cc2n(n1)CCCC2 ZINC000647294963 384907257 /nfs/dbraw/zinc/90/72/57/384907257.db2.gz UTSCQGWRYYABKC-STQMWFEESA-N 0 3 249.402 3.305 20 0 BGADHN C[C@@H](N[C@@H](C)c1cc2n(n1)CCCC2)C1CCC1 ZINC000647295798 384919674 /nfs/dbraw/zinc/91/96/74/384919674.db2.gz VEEIHCQOLPBRQG-NEPJUHHUSA-N 0 3 247.386 3.059 20 0 BGADHN C[C@@H](N[C@@H](C)C1CCC1)c1cc2n(n1)CCCC2 ZINC000647295799 384920353 /nfs/dbraw/zinc/92/03/53/384920353.db2.gz VEEIHCQOLPBRQG-NWDGAFQWSA-N 0 3 247.386 3.059 20 0 BGADHN C[C@H](N[C@@H](C)C1CCC1)c1cc2n(n1)CCCC2 ZINC000647295800 384919933 /nfs/dbraw/zinc/91/99/33/384919933.db2.gz VEEIHCQOLPBRQG-RYUDHWBXSA-N 0 3 247.386 3.059 20 0 BGADHN C[C@@H](N[C@H](C)C1CCC1)c1cc2n(n1)CCCC2 ZINC000647295801 384921335 /nfs/dbraw/zinc/92/13/35/384921335.db2.gz VEEIHCQOLPBRQG-VXGBXAGGSA-N 0 3 247.386 3.059 20 0 BGADHN CC(C)=CCCN[C@H](C)c1cc2n(n1)CCCC2 ZINC000647300853 385066361 /nfs/dbraw/zinc/06/63/61/385066361.db2.gz GGTIAYRASJPSGX-CYBMUJFWSA-N 0 3 247.386 3.226 20 0 BGADHN CC(C)=CCCN[C@@H](C)c1cc2n(n1)CCCC2 ZINC000647300854 385065109 /nfs/dbraw/zinc/06/51/09/385065109.db2.gz GGTIAYRASJPSGX-ZDUSSCGKSA-N 0 3 247.386 3.226 20 0 BGADHN CCC(C)(C)CN[C@H](C)c1cc2n(n1)CCCC2 ZINC000647301406 385079428 /nfs/dbraw/zinc/07/94/28/385079428.db2.gz KUFIICSBSQQIJW-GFCCVEGCSA-N 0 3 249.402 3.306 20 0 BGADHN CCC(C)(C)CN[C@@H](C)c1cc2n(n1)CCCC2 ZINC000647301407 385079629 /nfs/dbraw/zinc/07/96/29/385079629.db2.gz KUFIICSBSQQIJW-LBPRGKRZSA-N 0 3 249.402 3.306 20 0 BGADHN C[C@@H](NCCC1(C)CC1)c1cc2n(n1)CCCC2 ZINC000647301908 385097302 /nfs/dbraw/zinc/09/73/02/385097302.db2.gz VMYKILDYLUAOPO-GFCCVEGCSA-N 0 3 247.386 3.060 20 0 BGADHN C[C@H](NCCC1(C)CC1)c1cc2n(n1)CCCC2 ZINC000647301909 385098371 /nfs/dbraw/zinc/09/83/71/385098371.db2.gz VMYKILDYLUAOPO-LBPRGKRZSA-N 0 3 247.386 3.060 20 0 BGADHN COc1ccc([C@H](CC(C)C)NCCF)cc1 ZINC000647302332 385115666 /nfs/dbraw/zinc/11/56/66/385115666.db2.gz RIHJMDVGKNTFQW-AWEZNQCLSA-N 0 3 239.334 3.342 20 0 BGADHN COc1ccc([C@@H](CC(C)C)NCCF)cc1 ZINC000647302333 385117451 /nfs/dbraw/zinc/11/74/51/385117451.db2.gz RIHJMDVGKNTFQW-CQSZACIVSA-N 0 3 239.334 3.342 20 0 BGADHN CC(C)C1(N[C@H](C)c2cc3n(n2)CCCC3)CC1 ZINC000647304723 385178537 /nfs/dbraw/zinc/17/85/37/385178537.db2.gz BJOUXFASHIATEL-GFCCVEGCSA-N 0 3 247.386 3.059 20 0 BGADHN CC(C)C1(N[C@@H](C)c2cc3n(n2)CCCC3)CC1 ZINC000647304724 385178301 /nfs/dbraw/zinc/17/83/01/385178301.db2.gz BJOUXFASHIATEL-LBPRGKRZSA-N 0 3 247.386 3.059 20 0 BGADHN Cc1ccccc1C1(N[C@@H](C)[C@H]2CCCO2)CC1 ZINC000647316465 384216442 /nfs/dbraw/zinc/21/64/42/384216442.db2.gz LNJMUOZTDBVOTD-DZGCQCFKSA-N 0 3 245.366 3.141 20 0 BGADHN Cc1ccccc1C1(N[C@H](C)[C@@H]2CCCO2)CC1 ZINC000647316466 384218204 /nfs/dbraw/zinc/21/82/04/384218204.db2.gz LNJMUOZTDBVOTD-HIFRSBDPSA-N 0 3 245.366 3.141 20 0 BGADHN Cc1ccccc1C1(N[C@H](C)[C@H]2CCCO2)CC1 ZINC000647316467 384216620 /nfs/dbraw/zinc/21/66/20/384216620.db2.gz LNJMUOZTDBVOTD-UKRRQHHQSA-N 0 3 245.366 3.141 20 0 BGADHN Cc1ccccc1C1(N[C@@H](C)[C@@H]2CCCO2)CC1 ZINC000647316468 384216127 /nfs/dbraw/zinc/21/61/27/384216127.db2.gz LNJMUOZTDBVOTD-ZFWWWQNUSA-N 0 3 245.366 3.141 20 0 BGADHN C[C@@H](CN[C@@H](C)c1ccco1)CC(F)F ZINC000647317691 398341023 /nfs/dbraw/zinc/34/10/23/398341023.db2.gz WFYJQOFXXSZEBT-BDAKNGLRSA-N 0 3 217.259 3.222 20 0 BGADHN C[C@@H](NC[C@@H](C)CC(F)F)c1ccco1 ZINC000647317692 384238436 /nfs/dbraw/zinc/23/84/36/384238436.db2.gz WFYJQOFXXSZEBT-DTWKUNHWSA-N 0 3 217.259 3.222 20 0 BGADHN C[C@H](CN[C@@H](C)c1ccco1)CC(F)F ZINC000647317693 384238856 /nfs/dbraw/zinc/23/88/56/384238856.db2.gz WFYJQOFXXSZEBT-IUCAKERBSA-N 0 3 217.259 3.222 20 0 BGADHN C[C@@H](CN[C@H](C)c1ccco1)CC(F)F ZINC000647317694 384238706 /nfs/dbraw/zinc/23/87/06/384238706.db2.gz WFYJQOFXXSZEBT-RKDXNWHRSA-N 0 3 217.259 3.222 20 0 BGADHN C[C@@H](CN[C@H](C)c1cscn1)CC(F)F ZINC000647318175 398341096 /nfs/dbraw/zinc/34/10/96/398341096.db2.gz HYFZBQHQLHGBHL-HTQZYQBOSA-N 0 3 234.315 3.085 20 0 BGADHN C[C@@H](NC[C@@H](C)CC(F)F)c1cscn1 ZINC000647318176 398341089 /nfs/dbraw/zinc/34/10/89/398341089.db2.gz HYFZBQHQLHGBHL-JGVFFNPUSA-N 0 3 234.315 3.085 20 0 BGADHN C[C@@H](CN[C@@H](C)c1cscn1)CC(F)F ZINC000647318177 398341143 /nfs/dbraw/zinc/34/11/43/398341143.db2.gz HYFZBQHQLHGBHL-SFYZADRCSA-N 0 3 234.315 3.085 20 0 BGADHN C[C@H](CN[C@@H](C)c1cscn1)CC(F)F ZINC000647318178 398341115 /nfs/dbraw/zinc/34/11/15/398341115.db2.gz HYFZBQHQLHGBHL-YUMQZZPRSA-N 0 3 234.315 3.085 20 0 BGADHN C[C@@H](CN[C@@H](C)c1ccc(F)cn1)CC(F)F ZINC000647318525 398341214 /nfs/dbraw/zinc/34/12/14/398341214.db2.gz RMYWKGVOWMWQLR-BDAKNGLRSA-N 0 3 246.276 3.163 20 0 BGADHN C[C@@H](NC[C@@H](C)CC(F)F)c1ccc(F)cn1 ZINC000647318526 398341210 /nfs/dbraw/zinc/34/12/10/398341210.db2.gz RMYWKGVOWMWQLR-DTWKUNHWSA-N 0 3 246.276 3.163 20 0 BGADHN C[C@H](CN[C@@H](C)c1ccc(F)cn1)CC(F)F ZINC000647318527 398341216 /nfs/dbraw/zinc/34/12/16/398341216.db2.gz RMYWKGVOWMWQLR-IUCAKERBSA-N 0 3 246.276 3.163 20 0 BGADHN C[C@@H](CN[C@H](C)c1ccc(F)cn1)CC(F)F ZINC000647318528 398341208 /nfs/dbraw/zinc/34/12/08/398341208.db2.gz RMYWKGVOWMWQLR-RKDXNWHRSA-N 0 3 246.276 3.163 20 0 BGADHN Cc1nc([C@@H](C)NC[C@H](C)CC(F)F)cs1 ZINC000647318557 384246956 /nfs/dbraw/zinc/24/69/56/384246956.db2.gz SVKGGVOAXDOXMK-HTQZYQBOSA-N 0 3 248.342 3.393 20 0 BGADHN Cc1nc([C@@H](C)NC[C@@H](C)CC(F)F)cs1 ZINC000647318558 384247287 /nfs/dbraw/zinc/24/72/87/384247287.db2.gz SVKGGVOAXDOXMK-JGVFFNPUSA-N 0 3 248.342 3.393 20 0 BGADHN Cc1nc([C@H](C)NC[C@H](C)CC(F)F)cs1 ZINC000647318559 384247896 /nfs/dbraw/zinc/24/78/96/384247896.db2.gz SVKGGVOAXDOXMK-SFYZADRCSA-N 0 3 248.342 3.393 20 0 BGADHN Cc1nc([C@H](C)NC[C@@H](C)CC(F)F)cs1 ZINC000647318560 384247167 /nfs/dbraw/zinc/24/71/67/384247167.db2.gz SVKGGVOAXDOXMK-YUMQZZPRSA-N 0 3 248.342 3.393 20 0 BGADHN C[C@@H](CN[C@H](C)c1nccs1)CC(F)F ZINC000647318763 384246659 /nfs/dbraw/zinc/24/66/59/384246659.db2.gz ZSGGSAQBPIEIJW-HTQZYQBOSA-N 0 3 234.315 3.085 20 0 BGADHN C[C@@H](NC[C@@H](C)CC(F)F)c1nccs1 ZINC000647318764 384247385 /nfs/dbraw/zinc/24/73/85/384247385.db2.gz ZSGGSAQBPIEIJW-JGVFFNPUSA-N 0 3 234.315 3.085 20 0 BGADHN C[C@@H](CN[C@@H](C)c1nccs1)CC(F)F ZINC000647318765 384246402 /nfs/dbraw/zinc/24/64/02/384246402.db2.gz ZSGGSAQBPIEIJW-SFYZADRCSA-N 0 3 234.315 3.085 20 0 BGADHN C[C@H](CN[C@@H](C)c1nccs1)CC(F)F ZINC000647318766 384247440 /nfs/dbraw/zinc/24/74/40/384247440.db2.gz ZSGGSAQBPIEIJW-YUMQZZPRSA-N 0 3 234.315 3.085 20 0 BGADHN CCC[C@@H](C)NC1(c2ccccc2OC)CC1 ZINC000647328930 398342145 /nfs/dbraw/zinc/34/21/45/398342145.db2.gz BIFGTTARGFEQHB-GFCCVEGCSA-N 0 3 233.355 3.463 20 0 BGADHN CCC[C@H](C)NC1(c2ccccc2OC)CC1 ZINC000647328931 384448663 /nfs/dbraw/zinc/44/86/63/384448663.db2.gz BIFGTTARGFEQHB-LBPRGKRZSA-N 0 3 233.355 3.463 20 0 BGADHN COc1ccccc1C1(N[C@H](C)CC2CC2)CC1 ZINC000647329034 384444038 /nfs/dbraw/zinc/44/40/38/384444038.db2.gz DOQIMBWLAFWQQT-GFCCVEGCSA-N 0 3 245.366 3.463 20 0 BGADHN COc1ccccc1C1(N[C@@H](C)CC2CC2)CC1 ZINC000647329035 384443102 /nfs/dbraw/zinc/44/31/02/384443102.db2.gz DOQIMBWLAFWQQT-LBPRGKRZSA-N 0 3 245.366 3.463 20 0 BGADHN COc1ccccc1C1(N[C@@H]2C[C@@H](C)[C@@H]2C)CC1 ZINC000647329177 384445942 /nfs/dbraw/zinc/44/59/42/384445942.db2.gz IKGODGQHKPJGLL-MBNYWOFBSA-N 0 3 245.366 3.318 20 0 BGADHN COc1ccccc1C1(N[C@@H]2C[C@H](C)[C@H]2C)CC1 ZINC000647329178 384446249 /nfs/dbraw/zinc/44/62/49/384446249.db2.gz IKGODGQHKPJGLL-OUCADQQQSA-N 0 3 245.366 3.318 20 0 BGADHN COc1ccccc1C1(N[C@@H]2C[C@H](C)[C@@H]2C)CC1 ZINC000647329179 384445227 /nfs/dbraw/zinc/44/52/27/384445227.db2.gz IKGODGQHKPJGLL-SGMGOOAPSA-N 0 3 245.366 3.318 20 0 BGADHN COc1ccccc1C1(N[C@@H]2C[C@@H](C)[C@H]2C)CC1 ZINC000647329180 384446057 /nfs/dbraw/zinc/44/60/57/384446057.db2.gz IKGODGQHKPJGLL-YRGRVCCFSA-N 0 3 245.366 3.318 20 0 BGADHN CC[C@H]1CC[C@H]1NC1(c2ccccc2OC)CC1 ZINC000647329211 384443218 /nfs/dbraw/zinc/44/32/18/384443218.db2.gz JCUIQUSEKHANRJ-GXTWGEPZSA-N 0 3 245.366 3.463 20 0 BGADHN CC[C@H]1CC[C@@H]1NC1(c2ccccc2OC)CC1 ZINC000647329212 384442874 /nfs/dbraw/zinc/44/28/74/384442874.db2.gz JCUIQUSEKHANRJ-JSGCOSHPSA-N 0 3 245.366 3.463 20 0 BGADHN CC[C@@H]1CC[C@@H]1NC1(c2ccccc2OC)CC1 ZINC000647329213 384443580 /nfs/dbraw/zinc/44/35/80/384443580.db2.gz JCUIQUSEKHANRJ-OCCSQVGLSA-N 0 3 245.366 3.463 20 0 BGADHN CC[C@@H]1CC[C@H]1NC1(c2ccccc2OC)CC1 ZINC000647329214 384443345 /nfs/dbraw/zinc/44/33/45/384443345.db2.gz JCUIQUSEKHANRJ-TZMCWYRMSA-N 0 3 245.366 3.463 20 0 BGADHN CC[C@@H](C)NC1(c2ccccc2OC)CC1 ZINC000647329362 384447332 /nfs/dbraw/zinc/44/73/32/384447332.db2.gz NFRVMFSHSZBACS-LLVKDONJSA-N 0 3 219.328 3.072 20 0 BGADHN CC[C@H](C)NC1(c2ccccc2OC)CC1 ZINC000647329363 384447916 /nfs/dbraw/zinc/44/79/16/384447916.db2.gz NFRVMFSHSZBACS-NSHDSACASA-N 0 3 219.328 3.072 20 0 BGADHN COc1ccccc1C1(NC2CC(C)(C)C2)CC1 ZINC000647329398 384448370 /nfs/dbraw/zinc/44/83/70/384448370.db2.gz OBAZBVSXKBPMOT-UHFFFAOYSA-N 0 3 245.366 3.463 20 0 BGADHN COc1ccccc1C1(N[C@H]2CCC2(C)C)CC1 ZINC000647329519 384448382 /nfs/dbraw/zinc/44/83/82/384448382.db2.gz QUFWUOUJAKMGSI-AWEZNQCLSA-N 0 3 245.366 3.463 20 0 BGADHN COc1ccccc1C1(N[C@@H]2CCC2(C)C)CC1 ZINC000647329520 384449070 /nfs/dbraw/zinc/44/90/70/384449070.db2.gz QUFWUOUJAKMGSI-CQSZACIVSA-N 0 3 245.366 3.463 20 0 BGADHN COc1ccccc1C1(NC2CC(C)C2)CC1 ZINC000647329571 384453757 /nfs/dbraw/zinc/45/37/57/384453757.db2.gz RZTKUABZCHJKEW-UHFFFAOYSA-N 0 3 231.339 3.072 20 0 BGADHN CC[C@H](C)C[C@H](CO)N[C@H](C)c1ccsc1 ZINC000647336236 398343031 /nfs/dbraw/zinc/34/30/31/398343031.db2.gz SHKWQRIBAKGMRJ-DMDPSCGWSA-N 0 3 241.400 3.196 20 0 BGADHN CC[C@H](C)C[C@H](CO)N[C@@H](C)c1ccsc1 ZINC000647336237 398343036 /nfs/dbraw/zinc/34/30/36/398343036.db2.gz SHKWQRIBAKGMRJ-GMXVVIOVSA-N 0 3 241.400 3.196 20 0 BGADHN CC[C@H](C)C[C@@H](CO)N[C@@H](C)c1ccsc1 ZINC000647336238 398343011 /nfs/dbraw/zinc/34/30/11/398343011.db2.gz SHKWQRIBAKGMRJ-GVXVVHGQSA-N 0 3 241.400 3.196 20 0 BGADHN CC[C@H](C)C[C@@H](CO)N[C@H](C)c1ccsc1 ZINC000647336239 398343040 /nfs/dbraw/zinc/34/30/40/398343040.db2.gz SHKWQRIBAKGMRJ-LOWVWBTDSA-N 0 3 241.400 3.196 20 0 BGADHN CC[C@H](C)C[C@H](CO)N[C@H](C)c1ccc(C)o1 ZINC000647336292 398343026 /nfs/dbraw/zinc/34/30/26/398343026.db2.gz UFZUVMRDFCQMQH-CYZMBNFOSA-N 0 3 239.359 3.036 20 0 BGADHN CC[C@H](C)C[C@@H](CO)N[C@@H](C)c1ccc(C)o1 ZINC000647336293 384573005 /nfs/dbraw/zinc/57/30/05/384573005.db2.gz UFZUVMRDFCQMQH-DRZSPHRISA-N 0 3 239.359 3.036 20 0 BGADHN CC[C@H](C)C[C@@H](CO)N[C@H](C)c1ccc(C)o1 ZINC000647336294 384572046 /nfs/dbraw/zinc/57/20/46/384572046.db2.gz UFZUVMRDFCQMQH-UHTWSYAYSA-N 0 3 239.359 3.036 20 0 BGADHN CC[C@H](C)C[C@H](CO)N[C@@H](C)c1ccc(C)o1 ZINC000647336295 384572716 /nfs/dbraw/zinc/57/27/16/384572716.db2.gz UFZUVMRDFCQMQH-WCFLWFBJSA-N 0 3 239.359 3.036 20 0 BGADHN C[C@H](N[C@H]1C[C@@H](OC(C)(C)C)C1)c1ccco1 ZINC000647342558 384601381 /nfs/dbraw/zinc/60/13/81/384601381.db2.gz SBUJLWQZKRLOSO-SDDRHHMPSA-N 0 3 237.343 3.276 20 0 BGADHN C[C@@H](N[C@H]1C[C@@H](OC(C)(C)C)C1)c1ccco1 ZINC000647342559 384601210 /nfs/dbraw/zinc/60/12/10/384601210.db2.gz SBUJLWQZKRLOSO-UTUOFQBUSA-N 0 3 237.343 3.276 20 0 BGADHN C[C@@H](N[C@H]1C[C@@H](OC(C)(C)C)C1)c1ccoc1 ZINC000647343449 398343205 /nfs/dbraw/zinc/34/32/05/398343205.db2.gz QLTQEWKYECJKPC-RTXFEEFZSA-N 0 3 237.343 3.276 20 0 BGADHN C[C@H](N[C@H]1C[C@@H](OC(C)(C)C)C1)c1ccoc1 ZINC000647343450 398343190 /nfs/dbraw/zinc/34/31/90/398343190.db2.gz QLTQEWKYECJKPC-WCFLWFBJSA-N 0 3 237.343 3.276 20 0 BGADHN C[C@@H](N[C@H]1C[C@@H](OC(C)(C)C)C1)c1cccnc1 ZINC000647343464 398343168 /nfs/dbraw/zinc/34/31/68/398343168.db2.gz RADRYUOHAUPBRS-BNOWGMLFSA-N 0 3 248.370 3.078 20 0 BGADHN C[C@H](N[C@H]1C[C@@H](OC(C)(C)C)C1)c1cccnc1 ZINC000647343465 398343209 /nfs/dbraw/zinc/34/32/09/398343209.db2.gz RADRYUOHAUPBRS-FPMFFAJLSA-N 0 3 248.370 3.078 20 0 BGADHN C[C@H](N[C@H]1C[C@@H](OC(C)(C)C)C1)c1ccccn1 ZINC000647343589 384600175 /nfs/dbraw/zinc/60/01/75/384600175.db2.gz XALXUDOLICIOQY-RWMBFGLXSA-N 0 3 248.370 3.078 20 0 BGADHN C[C@@H](N[C@H]1C[C@@H](OC(C)(C)C)C1)c1ccccn1 ZINC000647343590 384600889 /nfs/dbraw/zinc/60/08/89/384600889.db2.gz XALXUDOLICIOQY-UPJWGTAASA-N 0 3 248.370 3.078 20 0 BGADHN C[C@@H](N[C@H]1C[C@@H](OC(C)(C)C)C1)c1ccncc1 ZINC000647343661 384600325 /nfs/dbraw/zinc/60/03/25/384600325.db2.gz ZODFRIPTVKBFMX-BNOWGMLFSA-N 0 3 248.370 3.078 20 0 BGADHN C[C@H](N[C@H]1C[C@@H](OC(C)(C)C)C1)c1ccncc1 ZINC000647343662 384599845 /nfs/dbraw/zinc/59/98/45/384599845.db2.gz ZODFRIPTVKBFMX-FPMFFAJLSA-N 0 3 248.370 3.078 20 0 BGADHN CCC[C@@H](C)N[C@H](CCO)c1ccccc1F ZINC000647346469 384606714 /nfs/dbraw/zinc/60/67/14/384606714.db2.gz WKVDKJKZNDLXFZ-BXUZGUMPSA-N 0 3 239.334 3.027 20 0 BGADHN CCC[C@H](C)N[C@@H](CCO)c1ccccc1F ZINC000647346470 384608110 /nfs/dbraw/zinc/60/81/10/384608110.db2.gz WKVDKJKZNDLXFZ-FZMZJTMJSA-N 0 3 239.334 3.027 20 0 BGADHN CCC[C@@H](C)N[C@@H](CCO)c1ccccc1F ZINC000647346471 384606665 /nfs/dbraw/zinc/60/66/65/384606665.db2.gz WKVDKJKZNDLXFZ-RISCZKNCSA-N 0 3 239.334 3.027 20 0 BGADHN CCC[C@H](C)N[C@H](CCO)c1ccccc1F ZINC000647346472 384606306 /nfs/dbraw/zinc/60/63/06/384606306.db2.gz WKVDKJKZNDLXFZ-SMDDNHRTSA-N 0 3 239.334 3.027 20 0 BGADHN C[C@@H](NCC1CCC(F)CC1)c1cscn1 ZINC000647349892 384620759 /nfs/dbraw/zinc/62/07/59/384620759.db2.gz KNGBVRAFYXNMAK-KPPDAEKUSA-N 0 3 242.363 3.322 20 0 BGADHN C[C@H](NCC1CCC(F)CC1)c1cscn1 ZINC000647349893 384618937 /nfs/dbraw/zinc/61/89/37/384618937.db2.gz KNGBVRAFYXNMAK-WHXUTIOJSA-N 0 3 242.363 3.322 20 0 BGADHN C[C@@H](NCC1CCC(F)CC1)c1nccs1 ZINC000647349949 384619980 /nfs/dbraw/zinc/61/99/80/384619980.db2.gz NCAWNNGGAIYCOX-KPPDAEKUSA-N 0 3 242.363 3.322 20 0 BGADHN C[C@H](NCC1CCC(F)CC1)c1nccs1 ZINC000647349950 384620611 /nfs/dbraw/zinc/62/06/11/384620611.db2.gz NCAWNNGGAIYCOX-WHXUTIOJSA-N 0 3 242.363 3.322 20 0 BGADHN Cc1cc([C@H](C)NCC2CCC(F)CC2)no1 ZINC000647350101 384620574 /nfs/dbraw/zinc/62/05/74/384620574.db2.gz VZHAGEHYDFTLSY-UNXYVOJBSA-N 0 3 240.322 3.162 20 0 BGADHN Cc1cc([C@@H](C)NCC2CCC(F)CC2)no1 ZINC000647350102 384618965 /nfs/dbraw/zinc/61/89/65/384618965.db2.gz VZHAGEHYDFTLSY-VOMCLLRMSA-N 0 3 240.322 3.162 20 0 BGADHN CCc1ccc([C@H](C)N[C@@H]2CCS[C@@H]2C)o1 ZINC000647358147 384646665 /nfs/dbraw/zinc/64/66/65/384646665.db2.gz NKWSAARCRVDUSE-HOSYDEDBSA-N 0 3 239.384 3.387 20 0 BGADHN CCc1ccc([C@H](C)N[C@@H]2CCS[C@H]2C)o1 ZINC000647358148 384645927 /nfs/dbraw/zinc/64/59/27/384645927.db2.gz NKWSAARCRVDUSE-JBLDHEPKSA-N 0 3 239.384 3.387 20 0 BGADHN CCc1ccc([C@H](C)N[C@H]2CCS[C@H]2C)o1 ZINC000647358149 384645984 /nfs/dbraw/zinc/64/59/84/384645984.db2.gz NKWSAARCRVDUSE-NHCYSSNCSA-N 0 3 239.384 3.387 20 0 BGADHN CCc1ccc([C@H](C)N[C@H]2CCS[C@@H]2C)o1 ZINC000647358150 384646129 /nfs/dbraw/zinc/64/61/29/384646129.db2.gz NKWSAARCRVDUSE-UMNHJUIQSA-N 0 3 239.384 3.387 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2CCS[C@H]2C)oc1C ZINC000647360203 384649248 /nfs/dbraw/zinc/64/92/48/384649248.db2.gz RJBXKEHYEZWHEZ-DLOVCJGASA-N 0 3 239.384 3.441 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CCS[C@@H]2C)oc1C ZINC000647360204 384650105 /nfs/dbraw/zinc/65/01/05/384650105.db2.gz RJBXKEHYEZWHEZ-MVWJERBFSA-N 0 3 239.384 3.441 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2CCS[C@@H]2C)oc1C ZINC000647360205 384650692 /nfs/dbraw/zinc/65/06/92/384650692.db2.gz RJBXKEHYEZWHEZ-WCQGTBRESA-N 0 3 239.384 3.441 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CCS[C@H]2C)oc1C ZINC000647360206 384649835 /nfs/dbraw/zinc/64/98/35/384649835.db2.gz RJBXKEHYEZWHEZ-ZMLRMANQSA-N 0 3 239.384 3.441 20 0 BGADHN CCC(CC)(CC)C(=O)Nc1cccc(CN)c1 ZINC000647607450 384934602 /nfs/dbraw/zinc/93/46/02/384934602.db2.gz PYYWWQDRJZLPKW-UHFFFAOYSA-N 0 3 248.370 3.300 20 0 BGADHN Cc1cc(OCCC(C)C)c(C)c(C)n1 ZINC000647881482 397917066 /nfs/dbraw/zinc/91/70/66/397917066.db2.gz XMUYORHBIXOVMV-UHFFFAOYSA-N 0 3 207.317 3.432 20 0 BGADHN CCCNCc1ccc2ccc(F)c(F)c2n1 ZINC000647924392 385946602 /nfs/dbraw/zinc/94/66/02/385946602.db2.gz HSQWZNFQKBBLRL-UHFFFAOYSA-N 0 3 236.265 3.013 20 0 BGADHN Cc1nc(C)c(CNC2(C)CCC(C)CC2)o1 ZINC000647925216 385973154 /nfs/dbraw/zinc/97/31/54/385973154.db2.gz WOOVQJBTXKTQEE-UHFFFAOYSA-N 0 3 236.359 3.350 20 0 BGADHN Cc1cc(C)cc(CN2CC3(CC(F)C3)C2)c1 ZINC000647929833 386126565 /nfs/dbraw/zinc/12/65/65/386126565.db2.gz FYVBDVCKQOQJQK-UHFFFAOYSA-N 0 3 233.330 3.237 20 0 BGADHN CCc1cccc(CN2CC3(CC(F)C3)C2)c1 ZINC000647930071 386134601 /nfs/dbraw/zinc/13/46/01/386134601.db2.gz OBNKSYORXIWRSC-UHFFFAOYSA-N 0 3 233.330 3.183 20 0 BGADHN CC(C)CCN1CCC=C(c2ccccn2)C1 ZINC000647951579 386661690 /nfs/dbraw/zinc/66/16/90/386661690.db2.gz BUMZSQZLGHLZTD-UHFFFAOYSA-N 0 3 230.355 3.217 20 0 BGADHN Cc1nsc(C)c1CN1CCCC[C@H]1C ZINC000647956714 386699220 /nfs/dbraw/zinc/69/92/20/386699220.db2.gz AFPZFOMJOXSVMA-SECBINFHSA-N 0 3 224.373 3.134 20 0 BGADHN Cc1nsc(C)c1CN1CCCC[C@@H]1C ZINC000647956715 386698175 /nfs/dbraw/zinc/69/81/75/386698175.db2.gz AFPZFOMJOXSVMA-VIFPVBQESA-N 0 3 224.373 3.134 20 0 BGADHN CCc1nocc1CN1CCCC[C@H]1CC ZINC000647956897 386698371 /nfs/dbraw/zinc/69/83/71/386698371.db2.gz PWWRAMCKQFYDPA-GFCCVEGCSA-N 0 3 222.332 3.002 20 0 BGADHN CCc1nocc1CN1CCCC[C@@H]1CC ZINC000647956898 386697635 /nfs/dbraw/zinc/69/76/35/386697635.db2.gz PWWRAMCKQFYDPA-LBPRGKRZSA-N 0 3 222.332 3.002 20 0 BGADHN Cc1nc(CN(CC(C)C)CC(C)C)co1 ZINC000647957793 386702697 /nfs/dbraw/zinc/70/26/97/386702697.db2.gz LBOJAIYATFIELY-UHFFFAOYSA-N 0 3 224.348 3.097 20 0 BGADHN Cc1nc(CN2CCC[C@H]2C2CCCC2)co1 ZINC000647960414 398176025 /nfs/dbraw/zinc/17/60/25/398176025.db2.gz YEBIHOXTIZTVSJ-AWEZNQCLSA-N 0 3 234.343 3.138 20 0 BGADHN Cc1nc(CN2CCC[C@@H]2C2CCCC2)co1 ZINC000647960415 398176009 /nfs/dbraw/zinc/17/60/09/398176009.db2.gz YEBIHOXTIZTVSJ-CQSZACIVSA-N 0 3 234.343 3.138 20 0 BGADHN Cc1nc(CN2[C@H](C)C[C@H]3CCCC[C@H]32)co1 ZINC000647965175 386748703 /nfs/dbraw/zinc/74/87/03/386748703.db2.gz KTYRNWGNNVFFPC-MPKXVKKWSA-N 0 3 234.343 3.136 20 0 BGADHN Cc1nc(CN2[C@H](C)C[C@@H]3CCCC[C@@H]32)co1 ZINC000647965176 386748750 /nfs/dbraw/zinc/74/87/50/386748750.db2.gz KTYRNWGNNVFFPC-OSMZGAPFSA-N 0 3 234.343 3.136 20 0 BGADHN Cc1nc(CN2[C@H](C)C[C@H]3CCCC[C@@H]32)co1 ZINC000647965177 386747857 /nfs/dbraw/zinc/74/78/57/386747857.db2.gz KTYRNWGNNVFFPC-QKCSRTOESA-N 0 3 234.343 3.136 20 0 BGADHN Cc1nc(CN2[C@H](C)C[C@@H]3CCCC[C@H]32)co1 ZINC000647965178 386748114 /nfs/dbraw/zinc/74/81/14/386748114.db2.gz KTYRNWGNNVFFPC-SCDSUCTJSA-N 0 3 234.343 3.136 20 0 BGADHN Cc1nc(CN(CC(C)C)CC(C)(C)C)co1 ZINC000647967216 398196875 /nfs/dbraw/zinc/19/68/75/398196875.db2.gz YVRWJYGTZBKFDT-UHFFFAOYSA-N 0 3 238.375 3.487 20 0 BGADHN CCC(CC)(CC)NCc1coc(C)n1 ZINC000647968695 411513840 /nfs/dbraw/zinc/51/38/40/411513840.db2.gz RCJWRLMSJNRMCE-UHFFFAOYSA-N 0 3 210.321 3.041 20 0 BGADHN Cc1nc(CN[C@@H](C)C2CCCCC2)co1 ZINC000647970113 386349989 /nfs/dbraw/zinc/34/99/89/386349989.db2.gz COFHTMDFICPUNB-JTQLQIEISA-N 0 3 222.332 3.041 20 0 BGADHN Cc1nc(CN[C@H](C)C2CCCCC2)co1 ZINC000647970114 386349763 /nfs/dbraw/zinc/34/97/63/386349763.db2.gz COFHTMDFICPUNB-SNVBAGLBSA-N 0 3 222.332 3.041 20 0 BGADHN CCc1nocc1CN[C@H](C)C1CCCCC1 ZINC000647970598 386408331 /nfs/dbraw/zinc/40/83/31/386408331.db2.gz ZVOAHHXPBDKNLT-LLVKDONJSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1nocc1CN[C@@H](C)C1CCCCC1 ZINC000647970599 386408078 /nfs/dbraw/zinc/40/80/78/386408078.db2.gz ZVOAHHXPBDKNLT-NSHDSACASA-N 0 3 236.359 3.295 20 0 BGADHN Cc1nc(CN[C@@H](C)[C@@H](C)c2ccccc2)co1 ZINC000647971134 386496613 /nfs/dbraw/zinc/49/66/13/386496613.db2.gz VOMNOZNJLRPKPC-NEPJUHHUSA-N 0 3 244.338 3.265 20 0 BGADHN Cc1nc(CN[C@H](C)[C@H](C)c2ccccc2)co1 ZINC000647971135 386496859 /nfs/dbraw/zinc/49/68/59/386496859.db2.gz VOMNOZNJLRPKPC-NWDGAFQWSA-N 0 3 244.338 3.265 20 0 BGADHN Cc1nc(CN[C@@H](C)[C@H](C)c2ccccc2)co1 ZINC000647971136 386496186 /nfs/dbraw/zinc/49/61/86/386496186.db2.gz VOMNOZNJLRPKPC-RYUDHWBXSA-N 0 3 244.338 3.265 20 0 BGADHN Cc1nc(CN[C@H](C)[C@@H](C)c2ccccc2)co1 ZINC000647971137 386496345 /nfs/dbraw/zinc/49/63/45/386496345.db2.gz VOMNOZNJLRPKPC-VXGBXAGGSA-N 0 3 244.338 3.265 20 0 BGADHN CCc1nocc1CN[C@@H]1CCCCC1(C)C ZINC000647971516 386507424 /nfs/dbraw/zinc/50/74/24/386507424.db2.gz MGKVDRHRFMEWMT-CYBMUJFWSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1nocc1CN[C@H]1CCCCC1(C)C ZINC000647971517 386507530 /nfs/dbraw/zinc/50/75/30/386507530.db2.gz MGKVDRHRFMEWMT-ZDUSSCGKSA-N 0 3 236.359 3.295 20 0 BGADHN Cc1nc(CN[C@@H]2CCCCC2(C)C)co1 ZINC000647971726 386510638 /nfs/dbraw/zinc/51/06/38/386510638.db2.gz USBQWBLEPSXMTL-GFCCVEGCSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1nc(CN[C@H]2CCCCC2(C)C)co1 ZINC000647971727 386510450 /nfs/dbraw/zinc/51/04/50/386510450.db2.gz USBQWBLEPSXMTL-LBPRGKRZSA-N 0 3 222.332 3.041 20 0 BGADHN CCCN(Cc1ccnn1CC(C)C)CC1CC1 ZINC000647998325 386701224 /nfs/dbraw/zinc/70/12/24/386701224.db2.gz UVOZXIORJJJBMI-UHFFFAOYSA-N 0 3 249.402 3.161 20 0 BGADHN CC[C@H]1CCCCN1Cc1ccnn1CC(C)C ZINC000647998737 398268804 /nfs/dbraw/zinc/26/88/04/398268804.db2.gz HDSQSVRVSAPSNX-AWEZNQCLSA-N 0 3 249.402 3.304 20 0 BGADHN CC[C@@H]1CCCCN1Cc1ccnn1CC(C)C ZINC000647998738 398268790 /nfs/dbraw/zinc/26/87/90/398268790.db2.gz HDSQSVRVSAPSNX-CQSZACIVSA-N 0 3 249.402 3.304 20 0 BGADHN CCN(CC)Cc1cnn(-c2ccccc2C)c1 ZINC000647998815 386725815 /nfs/dbraw/zinc/72/58/15/386725815.db2.gz KVWDFPFEBCMYCK-UHFFFAOYSA-N 0 3 243.354 3.023 20 0 BGADHN CC(C)Cn1nccc1CN(C)C1CCCCC1 ZINC000647998967 386735144 /nfs/dbraw/zinc/73/51/44/386735144.db2.gz SKOQNAQTKIDWKI-UHFFFAOYSA-N 0 3 249.402 3.304 20 0 BGADHN CC(C)Cn1nccc1CN1C[C@@H](C)C[C@H](C)C1 ZINC000647998983 386736506 /nfs/dbraw/zinc/73/65/06/386736506.db2.gz UDPBYXCXRABINM-KBPBESRZSA-N 0 3 249.402 3.017 20 0 BGADHN CC(C)Cn1nccc1CN1C[C@H](C)C[C@H](C)C1 ZINC000647998984 386736664 /nfs/dbraw/zinc/73/66/64/386736664.db2.gz UDPBYXCXRABINM-OKILXGFUSA-N 0 3 249.402 3.017 20 0 BGADHN CC(C)Cn1nccc1CN1C[C@H](C)C[C@@H](C)C1 ZINC000647998985 386736582 /nfs/dbraw/zinc/73/65/82/386736582.db2.gz UDPBYXCXRABINM-ZIAGYGMSSA-N 0 3 249.402 3.017 20 0 BGADHN CCCCN(CC)Cc1ccnn1CC(C)C ZINC000647999000 386734983 /nfs/dbraw/zinc/73/49/83/386734983.db2.gz URQIQOIOCLVSIQ-UHFFFAOYSA-N 0 3 237.391 3.161 20 0 BGADHN CCCN(CCC)Cc1ccnn1CC(C)C ZINC000647999050 386734340 /nfs/dbraw/zinc/73/43/40/386734340.db2.gz XBLKCRNRMBCDBG-UHFFFAOYSA-N 0 3 237.391 3.161 20 0 BGADHN Cc1ccccc1-n1cc(CN(C)C(C)C)cn1 ZINC000647999082 386737674 /nfs/dbraw/zinc/73/76/74/386737674.db2.gz YYRUXBPCZGKBPM-UHFFFAOYSA-N 0 3 243.354 3.021 20 0 BGADHN CCCN(C)Cc1cnn(-c2ccccc2C)c1 ZINC000648001035 386196261 /nfs/dbraw/zinc/19/62/61/386196261.db2.gz SEBDRLTWJOMOCU-UHFFFAOYSA-N 0 3 243.354 3.023 20 0 BGADHN CC(C)CCN(C)Cc1ccnn1CC(C)C ZINC000648001372 386199462 /nfs/dbraw/zinc/19/94/62/386199462.db2.gz LJRRHWSCXNXZQB-UHFFFAOYSA-N 0 3 237.391 3.017 20 0 BGADHN CC(C)Cn1nccc1CN(C)[C@H](C)C(C)C ZINC000648001397 386200535 /nfs/dbraw/zinc/20/05/35/386200535.db2.gz NHPNEJWYCKGHFG-CYBMUJFWSA-N 0 3 237.391 3.015 20 0 BGADHN CC(C)Cn1nccc1CN(C)[C@@H](C)C(C)C ZINC000648001398 386200736 /nfs/dbraw/zinc/20/07/36/386200736.db2.gz NHPNEJWYCKGHFG-ZDUSSCGKSA-N 0 3 237.391 3.015 20 0 BGADHN CCCCN(Cc1ccnn1CC(C)C)C1CC1 ZINC000648001573 386200891 /nfs/dbraw/zinc/20/08/91/386200891.db2.gz ZTHLIJAKTFXXIC-UHFFFAOYSA-N 0 3 249.402 3.304 20 0 BGADHN CCN(Cc1ccnn1CC(C)C)C1CCCC1 ZINC000648001665 386206946 /nfs/dbraw/zinc/20/69/46/386206946.db2.gz CAURYOGQBULWAY-UHFFFAOYSA-N 0 3 249.402 3.304 20 0 BGADHN CCN(Cc1ccnn1CC(C)C)CC(C)C ZINC000648001851 386263520 /nfs/dbraw/zinc/26/35/20/386263520.db2.gz ONHAJVPWEFJZCP-UHFFFAOYSA-N 0 3 237.391 3.017 20 0 BGADHN CCC[C@@H](C)N(C)Cc1ccnn1CC(C)C ZINC000648001960 386278964 /nfs/dbraw/zinc/27/89/64/386278964.db2.gz UALZNWDPNMHNCB-CYBMUJFWSA-N 0 3 237.391 3.160 20 0 BGADHN CCC[C@H](C)N(C)Cc1ccnn1CC(C)C ZINC000648001961 386279638 /nfs/dbraw/zinc/27/96/38/386279638.db2.gz UALZNWDPNMHNCB-ZDUSSCGKSA-N 0 3 237.391 3.160 20 0 BGADHN CC(C)Cn1nccc1CN1CCC[C@H]1C(C)C ZINC000648001991 386310728 /nfs/dbraw/zinc/31/07/28/386310728.db2.gz VQDLUEOXXLCVMF-HNNXBMFYSA-N 0 3 249.402 3.160 20 0 BGADHN CC(C)Cn1nccc1CN1CCC[C@@H]1C(C)C ZINC000648001992 386310901 /nfs/dbraw/zinc/31/09/01/386310901.db2.gz VQDLUEOXXLCVMF-OAHLLOKOSA-N 0 3 249.402 3.160 20 0 BGADHN CC(C)Cn1nccc1CN(CC1CC1)C(C)C ZINC000648002317 386471630 /nfs/dbraw/zinc/47/16/30/386471630.db2.gz NGFGZWPNYNGZPM-UHFFFAOYSA-N 0 3 249.402 3.160 20 0 BGADHN CC(C)CN(Cc1ccnn1CC(C)C)C1CC1 ZINC000648002347 386472145 /nfs/dbraw/zinc/47/21/45/386472145.db2.gz PLRHPDUUMHZPNS-UHFFFAOYSA-N 0 3 249.402 3.160 20 0 BGADHN CC[C@@H](C)CN(C)Cc1ccnn1CC(C)C ZINC000648002574 386474456 /nfs/dbraw/zinc/47/44/56/386474456.db2.gz CYCGXACPNVKPMC-CYBMUJFWSA-N 0 3 237.391 3.017 20 0 BGADHN CC[C@H](C)CN(C)Cc1ccnn1CC(C)C ZINC000648002575 386474523 /nfs/dbraw/zinc/47/45/23/386474523.db2.gz CYCGXACPNVKPMC-ZDUSSCGKSA-N 0 3 237.391 3.017 20 0 BGADHN CC[C@H]1CCCN(Cc2ccnn2CC(C)C)C1 ZINC000648002731 386474578 /nfs/dbraw/zinc/47/45/78/386474578.db2.gz NMRGDNNMPNPKTN-AWEZNQCLSA-N 0 3 249.402 3.161 20 0 BGADHN CC[C@@H]1CCCN(Cc2ccnn2CC(C)C)C1 ZINC000648002732 386474354 /nfs/dbraw/zinc/47/43/54/386474354.db2.gz NMRGDNNMPNPKTN-CQSZACIVSA-N 0 3 249.402 3.161 20 0 BGADHN CC(C)Cn1nccc1CN(C)CC(C)(C)C ZINC000648003669 386763098 /nfs/dbraw/zinc/76/30/98/386763098.db2.gz UWIVJTAXXNNPSE-UHFFFAOYSA-N 0 3 237.391 3.017 20 0 BGADHN CC(C)Cn1nccc1CN1CCC[C@H](C)CC1 ZINC000648004677 386818351 /nfs/dbraw/zinc/81/83/51/386818351.db2.gz ZHYVKFWBNPXROE-AWEZNQCLSA-N 0 3 249.402 3.161 20 0 BGADHN CC(C)Cn1nccc1CN1CCC[C@@H](C)CC1 ZINC000648004678 386817983 /nfs/dbraw/zinc/81/79/83/386817983.db2.gz ZHYVKFWBNPXROE-CQSZACIVSA-N 0 3 249.402 3.161 20 0 BGADHN CC(C)Cn1nccc1CN(C)CC1CCCC1 ZINC000648004682 386818233 /nfs/dbraw/zinc/81/82/33/386818233.db2.gz ZNFNWTGPKFOOLR-UHFFFAOYSA-N 0 3 249.402 3.161 20 0 BGADHN CC(C)Cn1nccc1CN1CCC[C@H](C)[C@@H]1C ZINC000648005277 386821538 /nfs/dbraw/zinc/82/15/38/386821538.db2.gz ZSDNTWPALIDGNP-KBPBESRZSA-N 0 3 249.402 3.160 20 0 BGADHN CC(C)Cn1nccc1CN1CCC[C@@H](C)[C@@H]1C ZINC000648005278 386820112 /nfs/dbraw/zinc/82/01/12/386820112.db2.gz ZSDNTWPALIDGNP-KGLIPLIRSA-N 0 3 249.402 3.160 20 0 BGADHN CC(C)Cn1nccc1CN1CCC[C@H](C)[C@H]1C ZINC000648005279 386821443 /nfs/dbraw/zinc/82/14/43/386821443.db2.gz ZSDNTWPALIDGNP-UONOGXRCSA-N 0 3 249.402 3.160 20 0 BGADHN CC(C)Cn1nccc1CN1CCC[C@@H](C)[C@H]1C ZINC000648005280 386820686 /nfs/dbraw/zinc/82/06/86/386820686.db2.gz ZSDNTWPALIDGNP-ZIAGYGMSSA-N 0 3 249.402 3.160 20 0 BGADHN CC(C)Cn1nccc1CN1CCC(C)(C)CC1 ZINC000648005984 386828100 /nfs/dbraw/zinc/82/81/00/386828100.db2.gz DGQABMVWHNNTCC-UHFFFAOYSA-N 0 3 249.402 3.161 20 0 BGADHN CCC(C)(C)N(C)Cc1ccnn1CC(C)C ZINC000648007997 386845498 /nfs/dbraw/zinc/84/54/98/386845498.db2.gz LMACGFIPZUPMNY-UHFFFAOYSA-N 0 3 237.391 3.160 20 0 BGADHN CC(C)Cn1nccc1CN1CCCCC[C@@H]1C ZINC000648008563 490398678 /nfs/dbraw/zinc/39/86/78/490398678.db2.gz OEJUKCPFQPQLIT-AWEZNQCLSA-N 0 3 249.402 3.304 20 0 BGADHN CC(C)Cn1nccc1CN1CCCCC[C@H]1C ZINC000648008564 490398644 /nfs/dbraw/zinc/39/86/44/490398644.db2.gz OEJUKCPFQPQLIT-CQSZACIVSA-N 0 3 249.402 3.304 20 0 BGADHN CC(C)Cn1nccc1CN1CC[C@H](C)[C@@H](C)C1 ZINC000648009366 386896098 /nfs/dbraw/zinc/89/60/98/386896098.db2.gz DQHWYYGHDXVWPP-KBPBESRZSA-N 0 3 249.402 3.017 20 0 BGADHN CC(C)Cn1nccc1CN1CC[C@@H](C)[C@@H](C)C1 ZINC000648009367 386896553 /nfs/dbraw/zinc/89/65/53/386896553.db2.gz DQHWYYGHDXVWPP-KGLIPLIRSA-N 0 3 249.402 3.017 20 0 BGADHN CC(C)Cn1nccc1CN1CC[C@H](C)[C@H](C)C1 ZINC000648009368 386895798 /nfs/dbraw/zinc/89/57/98/386895798.db2.gz DQHWYYGHDXVWPP-UONOGXRCSA-N 0 3 249.402 3.017 20 0 BGADHN CC(C)Cn1nccc1CN1CC[C@@H](C)[C@H](C)C1 ZINC000648009369 386897398 /nfs/dbraw/zinc/89/73/98/386897398.db2.gz DQHWYYGHDXVWPP-ZIAGYGMSSA-N 0 3 249.402 3.017 20 0 BGADHN CC[C@H]1C[C@H](C)CN1Cc1ccnn1CC(C)C ZINC000648009528 386925989 /nfs/dbraw/zinc/92/59/89/386925989.db2.gz LIZSKSHKVRRTKU-KBPBESRZSA-N 0 3 249.402 3.160 20 0 BGADHN CC[C@H]1C[C@@H](C)CN1Cc1ccnn1CC(C)C ZINC000648009529 386926626 /nfs/dbraw/zinc/92/66/26/386926626.db2.gz LIZSKSHKVRRTKU-KGLIPLIRSA-N 0 3 249.402 3.160 20 0 BGADHN CC[C@@H]1C[C@H](C)CN1Cc1ccnn1CC(C)C ZINC000648009530 386925095 /nfs/dbraw/zinc/92/50/95/386925095.db2.gz LIZSKSHKVRRTKU-UONOGXRCSA-N 0 3 249.402 3.160 20 0 BGADHN CC[C@@H]1C[C@@H](C)CN1Cc1ccnn1CC(C)C ZINC000648009531 386926228 /nfs/dbraw/zinc/92/62/28/386926228.db2.gz LIZSKSHKVRRTKU-ZIAGYGMSSA-N 0 3 249.402 3.160 20 0 BGADHN CC(C)Cn1nccc1CN1C[C@@H](C)CC[C@@H]1C ZINC000648009573 386926610 /nfs/dbraw/zinc/92/66/10/386926610.db2.gz NIBALOMVSOOECK-KBPBESRZSA-N 0 3 249.402 3.160 20 0 BGADHN CC(C)Cn1nccc1CN1C[C@H](C)CC[C@@H]1C ZINC000648009574 386925075 /nfs/dbraw/zinc/92/50/75/386925075.db2.gz NIBALOMVSOOECK-KGLIPLIRSA-N 0 3 249.402 3.160 20 0 BGADHN CC(C)Cn1nccc1CN1C[C@@H](C)CC[C@H]1C ZINC000648009575 386926134 /nfs/dbraw/zinc/92/61/34/386926134.db2.gz NIBALOMVSOOECK-UONOGXRCSA-N 0 3 249.402 3.160 20 0 BGADHN CC(C)Cn1nccc1CN1C[C@H](C)CC[C@H]1C ZINC000648009576 386925760 /nfs/dbraw/zinc/92/57/60/386925760.db2.gz NIBALOMVSOOECK-ZIAGYGMSSA-N 0 3 249.402 3.160 20 0 BGADHN CC(C)Cn1nccc1CN(C(C)C)C1CCC1 ZINC000648009894 386927968 /nfs/dbraw/zinc/92/79/68/386927968.db2.gz AUDUBICFPFVWGQ-UHFFFAOYSA-N 0 3 249.402 3.302 20 0 BGADHN CC[C@@]1(C)CCN(Cc2ccnn2CC(C)C)C1 ZINC000648011174 386936388 /nfs/dbraw/zinc/93/63/88/386936388.db2.gz IGRLOKKWFHLKSB-HNNXBMFYSA-N 0 3 249.402 3.161 20 0 BGADHN CC[C@]1(C)CCN(Cc2ccnn2CC(C)C)C1 ZINC000648011175 386936104 /nfs/dbraw/zinc/93/61/04/386936104.db2.gz IGRLOKKWFHLKSB-OAHLLOKOSA-N 0 3 249.402 3.161 20 0 BGADHN CC(C)Cn1nccc1CN(C)[C@H](C)C1(C)CC1 ZINC000648013603 398301043 /nfs/dbraw/zinc/30/10/43/398301043.db2.gz KYWVMMQLTAEYEJ-CYBMUJFWSA-N 0 3 249.402 3.160 20 0 BGADHN CC(C)Cn1nccc1CN(C)[C@@H](C)C1(C)CC1 ZINC000648013605 398301130 /nfs/dbraw/zinc/30/11/30/398301130.db2.gz KYWVMMQLTAEYEJ-ZDUSSCGKSA-N 0 3 249.402 3.160 20 0 BGADHN CC(C)Cn1nccc1CN1CC[C@H](C(C)C)C1 ZINC000648013675 398301061 /nfs/dbraw/zinc/30/10/61/398301061.db2.gz MDYUDVGOKYVNSQ-AWEZNQCLSA-N 0 3 249.402 3.017 20 0 BGADHN CC(C)Cn1nccc1CN1CC[C@@H](C(C)C)C1 ZINC000648013676 398301123 /nfs/dbraw/zinc/30/11/23/398301123.db2.gz MDYUDVGOKYVNSQ-CQSZACIVSA-N 0 3 249.402 3.017 20 0 BGADHN C[C@@H](CNCc1ccno1)CC1CCCCC1 ZINC000648023261 387026768 /nfs/dbraw/zinc/02/67/68/387026768.db2.gz NDCQNRUCUUGKJF-GFCCVEGCSA-N 0 3 236.359 3.371 20 0 BGADHN C[C@H](CNCc1ccno1)CC1CCCCC1 ZINC000648023262 387026190 /nfs/dbraw/zinc/02/61/90/387026190.db2.gz NDCQNRUCUUGKJF-LBPRGKRZSA-N 0 3 236.359 3.371 20 0 BGADHN C[C@H](CCc1ccccc1)CNCc1ccno1 ZINC000648023330 387026300 /nfs/dbraw/zinc/02/63/00/387026300.db2.gz VWAZUQWCOFHDTK-CYBMUJFWSA-N 0 3 244.338 3.033 20 0 BGADHN C[C@@H](CCc1ccccc1)CNCc1ccno1 ZINC000648023331 387025535 /nfs/dbraw/zinc/02/55/35/387025535.db2.gz VWAZUQWCOFHDTK-ZDUSSCGKSA-N 0 3 244.338 3.033 20 0 BGADHN CCN(CCC1CC1)Cc1ccnn1CC(C)C ZINC000648023749 387027851 /nfs/dbraw/zinc/02/78/51/387027851.db2.gz FWNWMGFLYBKQFA-UHFFFAOYSA-N 0 3 249.402 3.161 20 0 BGADHN CC[C@@H]1[C@@H](C)CCN1Cc1ccnn1CC(C)C ZINC000648025138 387031819 /nfs/dbraw/zinc/03/18/19/387031819.db2.gz GPJDOUVGJFTSSR-DZGCQCFKSA-N 0 3 249.402 3.160 20 0 BGADHN CC[C@H]1[C@H](C)CCN1Cc1ccnn1CC(C)C ZINC000648025139 387031787 /nfs/dbraw/zinc/03/17/87/387031787.db2.gz GPJDOUVGJFTSSR-HIFRSBDPSA-N 0 3 249.402 3.160 20 0 BGADHN CC[C@@H]1[C@H](C)CCN1Cc1ccnn1CC(C)C ZINC000648025140 387033208 /nfs/dbraw/zinc/03/32/08/387033208.db2.gz GPJDOUVGJFTSSR-UKRRQHHQSA-N 0 3 249.402 3.160 20 0 BGADHN CC[C@H]1[C@@H](C)CCN1Cc1ccnn1CC(C)C ZINC000648025141 387032897 /nfs/dbraw/zinc/03/28/97/387032897.db2.gz GPJDOUVGJFTSSR-ZFWWWQNUSA-N 0 3 249.402 3.160 20 0 BGADHN CC(C)Cn1nccc1CN1CCCC[C@H](C)C1 ZINC000648025310 387032443 /nfs/dbraw/zinc/03/24/43/387032443.db2.gz VRMHPYSABFPRAQ-AWEZNQCLSA-N 0 3 249.402 3.161 20 0 BGADHN CC(C)Cn1nccc1CN1CCCC[C@@H](C)C1 ZINC000648025311 387033019 /nfs/dbraw/zinc/03/30/19/387033019.db2.gz VRMHPYSABFPRAQ-CQSZACIVSA-N 0 3 249.402 3.161 20 0 BGADHN CC(C)Cn1nccc1CN(C)C1(C)CCCC1 ZINC000648029497 387047049 /nfs/dbraw/zinc/04/70/49/387047049.db2.gz IZCJHPGPMWJSRZ-UHFFFAOYSA-N 0 3 249.402 3.304 20 0 BGADHN CCN(Cc1ccnn1CC(C)C)CC1CCC1 ZINC000648030281 387048250 /nfs/dbraw/zinc/04/82/50/387048250.db2.gz QYTGYXFTLRGVFP-UHFFFAOYSA-N 0 3 249.402 3.161 20 0 BGADHN CC[C@H]1CC[C@H](C)N1Cc1ccnn1CC(C)C ZINC000648035728 386424585 /nfs/dbraw/zinc/42/45/85/386424585.db2.gz NWTSCNNMVSLSND-KBPBESRZSA-N 0 3 249.402 3.302 20 0 BGADHN CC[C@H]1CC[C@@H](C)N1Cc1ccnn1CC(C)C ZINC000648035729 386425133 /nfs/dbraw/zinc/42/51/33/386425133.db2.gz NWTSCNNMVSLSND-KGLIPLIRSA-N 0 3 249.402 3.302 20 0 BGADHN CC[C@@H]1CC[C@H](C)N1Cc1ccnn1CC(C)C ZINC000648035730 386425974 /nfs/dbraw/zinc/42/59/74/386425974.db2.gz NWTSCNNMVSLSND-UONOGXRCSA-N 0 3 249.402 3.302 20 0 BGADHN CC[C@@H]1CC[C@@H](C)N1Cc1ccnn1CC(C)C ZINC000648035731 386426247 /nfs/dbraw/zinc/42/62/47/386426247.db2.gz NWTSCNNMVSLSND-ZIAGYGMSSA-N 0 3 249.402 3.302 20 0 BGADHN CC(C)Cn1nccc1CN1CC(C)(C)C[C@H]1C ZINC000648043875 386525082 /nfs/dbraw/zinc/52/50/82/386525082.db2.gz KIVPDCRRLLTVOB-CYBMUJFWSA-N 0 3 249.402 3.160 20 0 BGADHN CC(C)Cn1nccc1CN1CC(C)(C)C[C@@H]1C ZINC000648043876 386524764 /nfs/dbraw/zinc/52/47/64/386524764.db2.gz KIVPDCRRLLTVOB-ZDUSSCGKSA-N 0 3 249.402 3.160 20 0 BGADHN CC(C)Cn1nccc1CN1C[C@H](C)[C@@H](C)[C@H]1C ZINC000648044777 386542905 /nfs/dbraw/zinc/54/29/05/386542905.db2.gz VXJGEGQHPBBUII-BFHYXJOUSA-N 0 3 249.402 3.015 20 0 BGADHN CC(C)Cn1nccc1CN1C[C@H](C)[C@H](C)[C@@H]1C ZINC000648044778 386542834 /nfs/dbraw/zinc/54/28/34/386542834.db2.gz VXJGEGQHPBBUII-IHRRRGAJSA-N 0 3 249.402 3.015 20 0 BGADHN CC(C)Cn1nccc1CN1C[C@H](C)[C@H](C)[C@H]1C ZINC000648044779 386541857 /nfs/dbraw/zinc/54/18/57/386541857.db2.gz VXJGEGQHPBBUII-MELADBBJSA-N 0 3 249.402 3.015 20 0 BGADHN CC(C)Cn1nccc1CN1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000648044780 386542181 /nfs/dbraw/zinc/54/21/81/386542181.db2.gz VXJGEGQHPBBUII-MJBXVCDLSA-N 0 3 249.402 3.015 20 0 BGADHN CC(C)Cn1nccc1CN1CC[C@@H](C)C[C@H]1C ZINC000648045093 386551522 /nfs/dbraw/zinc/55/15/22/386551522.db2.gz XCMAVRJPDFRXOW-ZIAGYGMSSA-N 0 3 249.402 3.160 20 0 BGADHN Cc1cc(CN2CC[C@@H](OC(C)C)C2)cs1 ZINC000648047891 386576941 /nfs/dbraw/zinc/57/69/41/386576941.db2.gz HVQNCOQMJPYDTE-CYBMUJFWSA-N 0 3 239.384 3.056 20 0 BGADHN Cc1sccc1CN1CC[C@@H](OC(C)C)C1 ZINC000648047920 386578154 /nfs/dbraw/zinc/57/81/54/386578154.db2.gz NOXJRXSXBHMXPE-CYBMUJFWSA-N 0 3 239.384 3.056 20 0 BGADHN Cc1ccccc1CN1CC(C)(CC(F)F)C1 ZINC000648058613 386678716 /nfs/dbraw/zinc/67/87/16/386678716.db2.gz ULGPRQHJQWWBJD-UHFFFAOYSA-N 0 3 239.309 3.472 20 0 BGADHN CC[C@@H](C)CN1CC(C)(CC(F)F)C1 ZINC000648058749 386681463 /nfs/dbraw/zinc/68/14/63/386681463.db2.gz ADXIHAMGFCSZTA-SECBINFHSA-N 0 3 205.292 3.010 20 0 BGADHN CC[C@H](C)CN1CC(C)(CC(F)F)C1 ZINC000648058750 386680381 /nfs/dbraw/zinc/68/03/81/386680381.db2.gz ADXIHAMGFCSZTA-VIFPVBQESA-N 0 3 205.292 3.010 20 0 BGADHN CC1(CN2CC(C)(CC(F)F)C2)CCC1 ZINC000648058905 386682504 /nfs/dbraw/zinc/68/25/04/386682504.db2.gz KFRLMZGSDZFBOB-UHFFFAOYSA-N 0 3 217.303 3.154 20 0 BGADHN CC(C)(C)CCN1CC(C)(CC(F)F)C1 ZINC000648058918 386681097 /nfs/dbraw/zinc/68/10/97/386681097.db2.gz KVRBQQWCKKPHMM-UHFFFAOYSA-N 0 3 219.319 3.400 20 0 BGADHN CC(C)CCCN1CC(C)(CC(F)F)C1 ZINC000648058951 386675044 /nfs/dbraw/zinc/67/50/44/386675044.db2.gz MGBNFSRAXONGKB-UHFFFAOYSA-N 0 3 219.319 3.400 20 0 BGADHN CCC[C@H](C)CN1CC(C)(CC(F)F)C1 ZINC000648059028 386676405 /nfs/dbraw/zinc/67/64/05/386676405.db2.gz RHTFVLAWLQINKN-JTQLQIEISA-N 0 3 219.319 3.400 20 0 BGADHN CCC[C@@H](C)CN1CC(C)(CC(F)F)C1 ZINC000648059029 386675553 /nfs/dbraw/zinc/67/55/53/386675553.db2.gz RHTFVLAWLQINKN-SNVBAGLBSA-N 0 3 219.319 3.400 20 0 BGADHN CN(CCC(C)(C)C)Cc1cccc2nccn21 ZINC000648059697 386685447 /nfs/dbraw/zinc/68/54/47/386685447.db2.gz CTMMDMBCDVSPAL-UHFFFAOYSA-N 0 3 245.370 3.202 20 0 BGADHN Cc1ccc(CN(C)CCC(C)(C)C)cn1 ZINC000648059745 386684947 /nfs/dbraw/zinc/68/49/47/386684947.db2.gz HASLGMJRXHYDRT-UHFFFAOYSA-N 0 3 220.360 3.258 20 0 BGADHN CN(CCC(C)(C)C)Cc1cncs1 ZINC000648059752 386685333 /nfs/dbraw/zinc/68/53/33/386685333.db2.gz HVODNCHNSVEXTB-UHFFFAOYSA-N 0 3 212.362 3.011 20 0 BGADHN CN(CCC(C)(C)C)Cc1[nH]nc2ccccc21 ZINC000648059827 386686040 /nfs/dbraw/zinc/68/60/40/386686040.db2.gz MXLKCMVOLRYXJQ-UHFFFAOYSA-N 0 3 245.370 3.431 20 0 BGADHN CN(CCC(C)(C)C)Cc1n[nH]c2ccccc21 ZINC000648059827 386686033 /nfs/dbraw/zinc/68/60/33/386686033.db2.gz MXLKCMVOLRYXJQ-UHFFFAOYSA-N 0 3 245.370 3.431 20 0 BGADHN CC(C)n1cc(CN(C)CCC(C)(C)C)cn1 ZINC000648059829 386685759 /nfs/dbraw/zinc/68/57/59/386685759.db2.gz NBVYTNSPQGRUBD-UHFFFAOYSA-N 0 3 237.391 3.332 20 0 BGADHN CN(CCC(C)(C)C)Cc1ccc2c(n1)CCC2 ZINC000648059846 386686080 /nfs/dbraw/zinc/68/60/80/386686080.db2.gz OPQMKSLXVGJXNJ-UHFFFAOYSA-N 0 3 246.398 3.438 20 0 BGADHN CN(CCC(C)(C)C)Cc1cnc(C2CC2)nc1 ZINC000648059847 386686217 /nfs/dbraw/zinc/68/62/17/386686217.db2.gz OTENFJWJLMLRGB-UHFFFAOYSA-N 0 3 247.386 3.222 20 0 BGADHN CC(C)n1cncc1CN(C)CCC(C)(C)C ZINC000648059922 386685406 /nfs/dbraw/zinc/68/54/06/386685406.db2.gz VZHNVFLJLQQSND-UHFFFAOYSA-N 0 3 237.391 3.332 20 0 BGADHN Cc1cnccc1CN(C)CCC(C)(C)C ZINC000648059953 386684782 /nfs/dbraw/zinc/68/47/82/386684782.db2.gz YJZHQBDFAZSMTB-UHFFFAOYSA-N 0 3 220.360 3.258 20 0 BGADHN CCCn1cc(CN(C)CCC(C)(C)C)cn1 ZINC000648059971 386684496 /nfs/dbraw/zinc/68/44/96/386684496.db2.gz ZOFWALAZVOERBG-UHFFFAOYSA-N 0 3 237.391 3.161 20 0 BGADHN COCc1ccc(CN(C)CCC(C)(C)C)o1 ZINC000648059973 386684378 /nfs/dbraw/zinc/68/43/78/386684378.db2.gz ZTOUJFFMXJQGSC-UHFFFAOYSA-N 0 3 239.359 3.294 20 0 BGADHN CCC(CC)N[C@@H](CCO)c1ccccc1F ZINC000648068388 386770958 /nfs/dbraw/zinc/77/09/58/386770958.db2.gz VSAVZVUSPCROBG-AWEZNQCLSA-N 0 3 239.334 3.027 20 0 BGADHN CCC(CC)N[C@H](CCO)c1ccccc1F ZINC000648068389 386770529 /nfs/dbraw/zinc/77/05/29/386770529.db2.gz VSAVZVUSPCROBG-CQSZACIVSA-N 0 3 239.334 3.027 20 0 BGADHN COc1ccc(F)c(CN(C)C(C)(C)C)c1 ZINC000648070126 386776837 /nfs/dbraw/zinc/77/68/37/386776837.db2.gz ZYELLFURUOJBJR-UHFFFAOYSA-N 0 3 225.307 3.065 20 0 BGADHN COc1cccc(CN(C)C(C)(C)C)c1F ZINC000648070167 386776312 /nfs/dbraw/zinc/77/63/12/386776312.db2.gz CRQGHWQTLJWJSD-UHFFFAOYSA-N 0 3 225.307 3.065 20 0 BGADHN CN(Cc1ccc(Cl)o1)C(C)(C)C ZINC000648070348 386777800 /nfs/dbraw/zinc/77/78/00/386777800.db2.gz TTWYIFSOEYRKCZ-UHFFFAOYSA-N 0 3 201.697 3.163 20 0 BGADHN CC(C)[C@@H]1N(Cc2ccccn2)CC12CC=CC2 ZINC000648072023 386787439 /nfs/dbraw/zinc/78/74/39/386787439.db2.gz HMKOBKKVEPRVNM-HNNXBMFYSA-N 0 3 242.366 3.258 20 0 BGADHN CC(C)[C@H]1N(Cc2ccccn2)CC12CC=CC2 ZINC000648072024 386786040 /nfs/dbraw/zinc/78/60/40/386786040.db2.gz HMKOBKKVEPRVNM-OAHLLOKOSA-N 0 3 242.366 3.258 20 0 BGADHN CC(C)[C@@H]1N(Cc2ccco2)CC12CC=CC2 ZINC000648072064 386786404 /nfs/dbraw/zinc/78/64/04/386786404.db2.gz JWIPADYIFONEEY-AWEZNQCLSA-N 0 3 231.339 3.456 20 0 BGADHN CC(C)[C@H]1N(Cc2ccco2)CC12CC=CC2 ZINC000648072065 386787482 /nfs/dbraw/zinc/78/74/82/386787482.db2.gz JWIPADYIFONEEY-CQSZACIVSA-N 0 3 231.339 3.456 20 0 BGADHN CC(C)[C@@H]1N(Cc2cccn2C)CC12CC=CC2 ZINC000648072100 386786230 /nfs/dbraw/zinc/78/62/30/386786230.db2.gz LFERWNZOBFCYOP-HNNXBMFYSA-N 0 3 244.382 3.202 20 0 BGADHN CC(C)[C@H]1N(Cc2cccn2C)CC12CC=CC2 ZINC000648072101 386786653 /nfs/dbraw/zinc/78/66/53/386786653.db2.gz LFERWNZOBFCYOP-OAHLLOKOSA-N 0 3 244.382 3.202 20 0 BGADHN CC(C)[C@@H]1N(Cc2cccnc2)CC12CC=CC2 ZINC000648072241 386788589 /nfs/dbraw/zinc/78/85/89/386788589.db2.gz SRDHEZCITZSXES-HNNXBMFYSA-N 0 3 242.366 3.258 20 0 BGADHN CC(C)[C@H]1N(Cc2cccnc2)CC12CC=CC2 ZINC000648072242 386789749 /nfs/dbraw/zinc/78/97/49/386789749.db2.gz SRDHEZCITZSXES-OAHLLOKOSA-N 0 3 242.366 3.258 20 0 BGADHN CC(C)[C@@H]1N(Cc2ccncc2)CC12CC=CC2 ZINC000648072327 386788688 /nfs/dbraw/zinc/78/86/88/386788688.db2.gz YMJBOMDWDKWZRS-HNNXBMFYSA-N 0 3 242.366 3.258 20 0 BGADHN CC(C)[C@H]1N(Cc2ccncc2)CC12CC=CC2 ZINC000648072328 386789155 /nfs/dbraw/zinc/78/91/55/386789155.db2.gz YMJBOMDWDKWZRS-OAHLLOKOSA-N 0 3 242.366 3.258 20 0 BGADHN Cc1nocc1CN1CC2(CC=CC2)[C@@H]1C(C)C ZINC000648072885 386795757 /nfs/dbraw/zinc/79/57/57/386795757.db2.gz UWSCQMQQFTZNRA-AWEZNQCLSA-N 0 3 246.354 3.160 20 0 BGADHN Cc1nocc1CN1CC2(CC=CC2)[C@H]1C(C)C ZINC000648072886 386796714 /nfs/dbraw/zinc/79/67/14/386796714.db2.gz UWSCQMQQFTZNRA-CQSZACIVSA-N 0 3 246.354 3.160 20 0 BGADHN CC(C)[C@H]1N(Cc2cncs2)CC12CC=CC2 ZINC000648072922 386796836 /nfs/dbraw/zinc/79/68/36/386796836.db2.gz VYRLSLYKIOPEPO-CYBMUJFWSA-N 0 3 248.395 3.320 20 0 BGADHN CC(C)[C@@H]1N(Cc2cncs2)CC12CC=CC2 ZINC000648072923 386797268 /nfs/dbraw/zinc/79/72/68/386797268.db2.gz VYRLSLYKIOPEPO-ZDUSSCGKSA-N 0 3 248.395 3.320 20 0 BGADHN CC(C)[C@H]1N(CC2(F)CC2)CC12CC=CC2 ZINC000648072929 386797166 /nfs/dbraw/zinc/79/71/66/386797166.db2.gz WJDKRQWHPIKDOM-GFCCVEGCSA-N 0 3 223.335 3.165 20 0 BGADHN CC(C)[C@@H]1N(CC2(F)CC2)CC12CC=CC2 ZINC000648072930 386795540 /nfs/dbraw/zinc/79/55/40/386795540.db2.gz WJDKRQWHPIKDOM-LBPRGKRZSA-N 0 3 223.335 3.165 20 0 BGADHN CCn1cncc1CN1CCCC[C@H]1C1CCC1 ZINC000648077648 387506399 /nfs/dbraw/zinc/50/63/99/387506399.db2.gz AKOITGYTYSQKAK-HNNXBMFYSA-N 0 3 247.386 3.058 20 0 BGADHN CCn1cncc1CN1CCCC[C@@H]1C1CCC1 ZINC000648077649 387505594 /nfs/dbraw/zinc/50/55/94/387505594.db2.gz AKOITGYTYSQKAK-OAHLLOKOSA-N 0 3 247.386 3.058 20 0 BGADHN CCn1nccc1CN1CCCC[C@H]1C1CCC1 ZINC000648077708 387505006 /nfs/dbraw/zinc/50/50/06/387505006.db2.gz CWNWHCJWYYGGKJ-HNNXBMFYSA-N 0 3 247.386 3.058 20 0 BGADHN CCn1nccc1CN1CCCC[C@@H]1C1CCC1 ZINC000648077709 387504528 /nfs/dbraw/zinc/50/45/28/387504528.db2.gz CWNWHCJWYYGGKJ-OAHLLOKOSA-N 0 3 247.386 3.058 20 0 BGADHN c1ncc(CN2CCCC[C@@H]2C2CCC2)s1 ZINC000648077930 387505682 /nfs/dbraw/zinc/50/56/82/387505682.db2.gz QXJAATMCYPDSFV-CYBMUJFWSA-N 0 3 236.384 3.298 20 0 BGADHN c1ncc(CN2CCCC[C@H]2C2CCC2)s1 ZINC000648077931 387504787 /nfs/dbraw/zinc/50/47/87/387504787.db2.gz QXJAATMCYPDSFV-ZDUSSCGKSA-N 0 3 236.384 3.298 20 0 BGADHN Cc1nocc1CN1CCCC[C@H]1C1CCC1 ZINC000648077995 387507084 /nfs/dbraw/zinc/50/70/84/387507084.db2.gz VFLWQUOMRTXTPU-AWEZNQCLSA-N 0 3 234.343 3.138 20 0 BGADHN Cc1nocc1CN1CCCC[C@@H]1C1CCC1 ZINC000648077996 387507492 /nfs/dbraw/zinc/50/74/92/387507492.db2.gz VFLWQUOMRTXTPU-CQSZACIVSA-N 0 3 234.343 3.138 20 0 BGADHN Clc1cccc(CN2C3CCC2CC3)c1 ZINC000648211768 384865551 /nfs/dbraw/zinc/86/55/51/384865551.db2.gz AQWMNDMAASDGTB-UHFFFAOYSA-N 0 3 221.731 3.467 20 0 BGADHN CCO[C@@H]1CCCN(Cc2csc(C)c2)C1 ZINC000648346614 397800976 /nfs/dbraw/zinc/80/09/76/397800976.db2.gz DBDGZEOILGDBSP-CYBMUJFWSA-N 0 3 239.384 3.057 20 0 BGADHN CCO[C@H]1CCCN(Cc2csc(C)c2)C1 ZINC000648346615 397800942 /nfs/dbraw/zinc/80/09/42/397800942.db2.gz DBDGZEOILGDBSP-ZDUSSCGKSA-N 0 3 239.384 3.057 20 0 BGADHN Clc1cnc2oc(CN3CCCC3)cc2c1 ZINC000648347649 385301398 /nfs/dbraw/zinc/30/13/98/385301398.db2.gz SFDWJBJTRZKVBC-UHFFFAOYSA-N 0 3 236.702 3.077 20 0 BGADHN CN(Cc1cc2cc(Cl)cnc2o1)C1CC1 ZINC000648358558 385325066 /nfs/dbraw/zinc/32/50/66/385325066.db2.gz ZOHSHNAMMZYUBO-UHFFFAOYSA-N 0 3 236.702 3.075 20 0 BGADHN CCOC1CCN(Cc2csc(C)c2)CC1 ZINC000648359226 385326159 /nfs/dbraw/zinc/32/61/59/385326159.db2.gz HUIKXARHLXQGKX-UHFFFAOYSA-N 0 3 239.384 3.057 20 0 BGADHN COc1cc(F)cc(CN2CCC[C@H]2C2CC2)c1 ZINC000648368130 385369750 /nfs/dbraw/zinc/36/97/50/385369750.db2.gz YTLKSGDRFAHVOM-HNNXBMFYSA-N 0 3 249.329 3.209 20 0 BGADHN COc1cc(F)cc(CN2CCC[C@@H]2C2CC2)c1 ZINC000648368131 385369943 /nfs/dbraw/zinc/36/99/43/385369943.db2.gz YTLKSGDRFAHVOM-OAHLLOKOSA-N 0 3 249.329 3.209 20 0 BGADHN Cc1cc(CN2CCCOC(C)(C)C2)cs1 ZINC000648375758 385146030 /nfs/dbraw/zinc/14/60/30/385146030.db2.gz CSLUOBGVBDNSQB-UHFFFAOYSA-N 0 3 239.384 3.057 20 0 BGADHN Cc1cnccc1CN1C2CCCC1CCC2 ZINC000648377506 385598334 /nfs/dbraw/zinc/59/83/34/385598334.db2.gz CTYIVTUMDPKPQX-UHFFFAOYSA-N 0 3 230.355 3.297 20 0 BGADHN Cc1cc(CN(C)CCOC(C)(C)C)cs1 ZINC000648378800 385735192 /nfs/dbraw/zinc/73/51/92/385735192.db2.gz VJASCDLAZSKUEL-UHFFFAOYSA-N 0 3 241.400 3.303 20 0 BGADHN c1c2cccnc2oc1CN1[C@H]2C=CC[C@@H]1CC2 ZINC000648384601 385739060 /nfs/dbraw/zinc/73/90/60/385739060.db2.gz BDUNREXFHVQHDN-QWHCGFSZSA-N 0 3 240.306 3.121 20 0 BGADHN c1coc(CN[C@H]2CCCc3ccccc3C2)c1 ZINC000648402696 386596920 /nfs/dbraw/zinc/59/69/20/386596920.db2.gz AITNFSJWWSSBAO-HNNXBMFYSA-N 0 3 241.334 3.317 20 0 BGADHN c1coc(CN[C@@H]2CCCc3ccccc3C2)c1 ZINC000648402697 386598188 /nfs/dbraw/zinc/59/81/88/386598188.db2.gz AITNFSJWWSSBAO-OAHLLOKOSA-N 0 3 241.334 3.317 20 0 BGADHN CC(C)c1cc(CN[C@H](C)Cc2ccoc2)on1 ZINC000648452217 387045307 /nfs/dbraw/zinc/04/53/07/387045307.db2.gz NWDZZWPUXVNGDP-LLVKDONJSA-N 0 3 248.326 3.112 20 0 BGADHN CC(C)c1cc(CN[C@@H](C)Cc2ccoc2)on1 ZINC000648452218 387046066 /nfs/dbraw/zinc/04/60/66/387046066.db2.gz NWDZZWPUXVNGDP-NSHDSACASA-N 0 3 248.326 3.112 20 0 BGADHN CC[C@@H](NCc1cc(C(C)C)no1)C1CCC1 ZINC000648452360 387046195 /nfs/dbraw/zinc/04/61/95/387046195.db2.gz YSZJPGIUNYNYGH-CYBMUJFWSA-N 0 3 236.359 3.466 20 0 BGADHN CC[C@H](NCc1cc(C(C)C)no1)C1CCC1 ZINC000648452361 387045978 /nfs/dbraw/zinc/04/59/78/387045978.db2.gz YSZJPGIUNYNYGH-ZDUSSCGKSA-N 0 3 236.359 3.466 20 0 BGADHN Cc1noc(C)c1[C@@H](C)N[C@H](C)Cc1ccoc1 ZINC000648456857 487952466 /nfs/dbraw/zinc/95/24/66/487952466.db2.gz ZHMDYENJRKOTFR-NXEZZACHSA-N 0 3 248.326 3.166 20 0 BGADHN Cc1noc(C)c1[C@H](C)N[C@@H](C)Cc1ccoc1 ZINC000648456858 487952754 /nfs/dbraw/zinc/95/27/54/487952754.db2.gz ZHMDYENJRKOTFR-UWVGGRQHSA-N 0 3 248.326 3.166 20 0 BGADHN Cc1noc(C)c1[C@@H](C)N[C@@H](C)Cc1ccoc1 ZINC000648456859 487952782 /nfs/dbraw/zinc/95/27/82/487952782.db2.gz ZHMDYENJRKOTFR-VHSXEESVSA-N 0 3 248.326 3.166 20 0 BGADHN Cc1noc(C)c1[C@H](C)N[C@H](C)Cc1ccoc1 ZINC000648456860 487952481 /nfs/dbraw/zinc/95/24/81/487952481.db2.gz ZHMDYENJRKOTFR-ZJUUUORDSA-N 0 3 248.326 3.166 20 0 BGADHN Clc1cnc2oc(CNC3CC=CC3)cc2c1 ZINC000648480537 387377610 /nfs/dbraw/zinc/37/76/10/387377610.db2.gz RPWYNNMIPYNXNI-UHFFFAOYSA-N 0 3 248.713 3.289 20 0 BGADHN Fc1cccnc1CN[C@@H]1CCCC12CCC2 ZINC000648483966 387380551 /nfs/dbraw/zinc/38/05/51/387380551.db2.gz XDWIRLSVQAZGPN-CYBMUJFWSA-N 0 3 234.318 3.033 20 0 BGADHN Fc1cccnc1CN[C@H]1CCCC12CCC2 ZINC000648483967 387381823 /nfs/dbraw/zinc/38/18/23/387381823.db2.gz XDWIRLSVQAZGPN-ZDUSSCGKSA-N 0 3 234.318 3.033 20 0 BGADHN CC[C@@H]1C[C@H](Nc2cc(C)cc(C)n2)CCO1 ZINC000648484863 387384489 /nfs/dbraw/zinc/38/44/89/387384489.db2.gz ROXRUZQPTXIZNS-CHWSQXEVSA-N 0 3 234.343 3.068 20 0 BGADHN CC[C@H]1C[C@H](Nc2cc(C)cc(C)n2)CCO1 ZINC000648484864 387385575 /nfs/dbraw/zinc/38/55/75/387385575.db2.gz ROXRUZQPTXIZNS-OLZOCXBDSA-N 0 3 234.343 3.068 20 0 BGADHN CC[C@@H]1C[C@@H](Nc2cc(C)cc(C)n2)CCO1 ZINC000648484865 387385123 /nfs/dbraw/zinc/38/51/23/387385123.db2.gz ROXRUZQPTXIZNS-QWHCGFSZSA-N 0 3 234.343 3.068 20 0 BGADHN CC[C@H]1C[C@@H](Nc2cc(C)cc(C)n2)CCO1 ZINC000648484866 387385607 /nfs/dbraw/zinc/38/56/07/387385607.db2.gz ROXRUZQPTXIZNS-STQMWFEESA-N 0 3 234.343 3.068 20 0 BGADHN Cc1cc(CN[C@H](C)[C@H]2CCCC[C@H]2C)ncn1 ZINC000648489667 387388970 /nfs/dbraw/zinc/38/89/70/387388970.db2.gz BIXDPCOLROSHOS-KYOSRNDESA-N 0 3 247.386 3.089 20 0 BGADHN Cc1cc(CN[C@H](C)[C@H]2CCCC[C@@H]2C)ncn1 ZINC000648489668 387389963 /nfs/dbraw/zinc/38/99/63/387389963.db2.gz BIXDPCOLROSHOS-LNSITVRQSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1cc(CN[C@H](C)[C@@H]2CCCC[C@@H]2C)ncn1 ZINC000648489669 387389828 /nfs/dbraw/zinc/38/98/28/387389828.db2.gz BIXDPCOLROSHOS-NJZAAPMLSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1cc(CN[C@H](C)[C@@H]2CCCC[C@H]2C)ncn1 ZINC000648489670 387388689 /nfs/dbraw/zinc/38/86/89/387388689.db2.gz BIXDPCOLROSHOS-UXIGCNINSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1cnccc1CNC(C)(C)CC(F)(F)F ZINC000648536378 387137643 /nfs/dbraw/zinc/13/76/43/387137643.db2.gz YPOYRYZDYQHUDQ-UHFFFAOYSA-N 0 3 246.276 3.211 20 0 BGADHN Cc1cc(CN2CC(C(C)C)C2)cs1 ZINC000648562430 387326870 /nfs/dbraw/zinc/32/68/70/387326870.db2.gz BJPFHGHATYKRSU-UHFFFAOYSA-N 0 3 209.358 3.144 20 0 BGADHN COc1cc(C)ccc1CN1CC(C(C)C)C1 ZINC000648562445 387326668 /nfs/dbraw/zinc/32/66/68/387326668.db2.gz DVIQRNRFHLLJAL-UHFFFAOYSA-N 0 3 233.355 3.091 20 0 BGADHN Cc1cnccc1CN1CCC2(CCC2)CC1 ZINC000648581537 411225590 /nfs/dbraw/zinc/22/55/90/411225590.db2.gz JDIATPUOSJTRTO-UHFFFAOYSA-N 0 3 230.355 3.156 20 0 BGADHN Cc1cnccc1CN1CCC(C2CC2)CC1 ZINC000648592748 387363785 /nfs/dbraw/zinc/36/37/85/387363785.db2.gz XDFRAOFVWBKYDZ-UHFFFAOYSA-N 0 3 230.355 3.012 20 0 BGADHN C[C@H](NC1CSC1)c1cccc(C2CC2)c1 ZINC000648605213 387377899 /nfs/dbraw/zinc/37/78/99/387377899.db2.gz FHSUDENXVAWZOS-JTQLQIEISA-N 0 3 233.380 3.330 20 0 BGADHN C[C@@H](NC1CSC1)c1cccc(C2CC2)c1 ZINC000648605214 387377360 /nfs/dbraw/zinc/37/73/60/387377360.db2.gz FHSUDENXVAWZOS-SNVBAGLBSA-N 0 3 233.380 3.330 20 0 BGADHN C[C@@H](NCc1cn[nH]c1)c1cccc(C2CC2)c1 ZINC000648605263 387377739 /nfs/dbraw/zinc/37/77/39/387377739.db2.gz XBXDHIBRSCAEJN-LLVKDONJSA-N 0 3 241.338 3.138 20 0 BGADHN C[C@H](NCc1cn[nH]c1)c1cccc(C2CC2)c1 ZINC000648605264 387377603 /nfs/dbraw/zinc/37/76/03/387377603.db2.gz XBXDHIBRSCAEJN-NSHDSACASA-N 0 3 241.338 3.138 20 0 BGADHN CC(F)(F)CCNCc1cc2ccccc2[nH]1 ZINC000648609567 387402696 /nfs/dbraw/zinc/40/26/96/387402696.db2.gz DXWQADMUBFCGFA-UHFFFAOYSA-N 0 3 238.281 3.303 20 0 BGADHN c1ccc2c(c1)n[nH]c2CNCC1=CCCCC1 ZINC000648632658 387202588 /nfs/dbraw/zinc/20/25/88/387202588.db2.gz ABJNCEUFAXZARF-UHFFFAOYSA-N 0 3 241.338 3.153 20 0 BGADHN c1ccc2c(CNCC3=CCCCC3)n[nH]c2c1 ZINC000648632658 387202582 /nfs/dbraw/zinc/20/25/82/387202582.db2.gz ABJNCEUFAXZARF-UHFFFAOYSA-N 0 3 241.338 3.153 20 0 BGADHN CCC[C@@H](CNCc1cscc1Cl)OC ZINC000648633924 387207622 /nfs/dbraw/zinc/20/76/22/387207622.db2.gz RTYDOZZPYFHZIL-JTQLQIEISA-N 0 3 247.791 3.306 20 0 BGADHN CCC[C@H](CNCc1cscc1Cl)OC ZINC000648633925 387206580 /nfs/dbraw/zinc/20/65/80/387206580.db2.gz RTYDOZZPYFHZIL-SNVBAGLBSA-N 0 3 247.791 3.306 20 0 BGADHN CCC[C@@H](CNCc1cc2ccccc2[nH]1)OC ZINC000648633972 387206939 /nfs/dbraw/zinc/20/69/39/387206939.db2.gz XRSXKUORKJNWPV-AWEZNQCLSA-N 0 3 246.354 3.073 20 0 BGADHN CCC[C@H](CNCc1cc2ccccc2[nH]1)OC ZINC000648633973 387206968 /nfs/dbraw/zinc/20/69/68/387206968.db2.gz XRSXKUORKJNWPV-CQSZACIVSA-N 0 3 246.354 3.073 20 0 BGADHN CCC1(NCc2ncccc2C(F)(F)F)CC1 ZINC000648684213 387497434 /nfs/dbraw/zinc/49/74/34/387497434.db2.gz CBNZDZFHLBIYQF-UHFFFAOYSA-N 0 3 244.260 3.133 20 0 BGADHN CCC1(NCc2nc3c(s2)CCCC3)CC1 ZINC000648684214 387496865 /nfs/dbraw/zinc/49/68/65/387496865.db2.gz DWWRXXFDDDZNEI-UHFFFAOYSA-N 0 3 236.384 3.054 20 0 BGADHN CCC1(NCc2cscc2Cl)CC1 ZINC000648684225 387497218 /nfs/dbraw/zinc/49/72/18/387497218.db2.gz LPWCHYVJWHZMCD-UHFFFAOYSA-N 0 3 215.749 3.434 20 0 BGADHN CC1(C)OCC[C@@H]1NCc1cscc1Cl ZINC000648688040 387512300 /nfs/dbraw/zinc/51/23/00/387512300.db2.gz IELUFMUZBZGWAG-JTQLQIEISA-N 0 3 245.775 3.059 20 0 BGADHN CC1(C)OCC[C@H]1NCc1cscc1Cl ZINC000648688041 387512355 /nfs/dbraw/zinc/51/23/55/387512355.db2.gz IELUFMUZBZGWAG-SNVBAGLBSA-N 0 3 245.775 3.059 20 0 BGADHN c1ccc2c(c1)ccnc2CN1CC[C@H]1C1CC1 ZINC000648698788 397928547 /nfs/dbraw/zinc/92/85/47/397928547.db2.gz RZNHIZJCLBDUQN-INIZCTEOSA-N 0 3 238.334 3.219 20 0 BGADHN c1ccc2c(c1)ccnc2CN1CC[C@@H]1C1CC1 ZINC000648698789 397927903 /nfs/dbraw/zinc/92/79/03/397927903.db2.gz RZNHIZJCLBDUQN-MRXNPFEDSA-N 0 3 238.334 3.219 20 0 BGADHN c1c2ccccc2[nH]c1CN1CC[C@H]1C1CC1 ZINC000648699777 388061725 /nfs/dbraw/zinc/06/17/25/388061725.db2.gz TUBCEJIRHTYWOA-HNNXBMFYSA-N 0 3 226.323 3.152 20 0 BGADHN c1c2ccccc2[nH]c1CN1CC[C@@H]1C1CC1 ZINC000648699778 388062540 /nfs/dbraw/zinc/06/25/40/388062540.db2.gz TUBCEJIRHTYWOA-OAHLLOKOSA-N 0 3 226.323 3.152 20 0 BGADHN C[C@H](CCCCO)NCc1cscc1Cl ZINC000648701398 387721942 /nfs/dbraw/zinc/72/19/42/387721942.db2.gz UZJODHIJGIDCJM-SECBINFHSA-N 0 3 247.791 3.042 20 0 BGADHN C[C@@H](CCCCO)NCc1cscc1Cl ZINC000648701399 387721419 /nfs/dbraw/zinc/72/14/19/387721419.db2.gz UZJODHIJGIDCJM-VIFPVBQESA-N 0 3 247.791 3.042 20 0 BGADHN Cc1nocc1CN[C@H](C)[C@@H]1CCCC[C@H]1C ZINC000648702299 387725533 /nfs/dbraw/zinc/72/55/33/387725533.db2.gz VXXVBSYCPDJBOR-MPKXVKKWSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1nocc1CN[C@H](C)[C@H]1CCCC[C@H]1C ZINC000648702300 387725410 /nfs/dbraw/zinc/72/54/10/387725410.db2.gz VXXVBSYCPDJBOR-QKCSRTOESA-N 0 3 236.359 3.287 20 0 BGADHN Cc1nocc1CN[C@H](C)[C@H]1CCCC[C@@H]1C ZINC000648702301 387725927 /nfs/dbraw/zinc/72/59/27/387725927.db2.gz VXXVBSYCPDJBOR-SUHUHFCYSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1nocc1CN[C@H](C)[C@@H]1CCCC[C@@H]1C ZINC000648702302 387725289 /nfs/dbraw/zinc/72/52/89/387725289.db2.gz VXXVBSYCPDJBOR-ZKYQVNSYSA-N 0 3 236.359 3.287 20 0 BGADHN CC[C@@H]1CCC[C@@H]1CNCc1nccs1 ZINC000648704000 397933303 /nfs/dbraw/zinc/93/33/03/397933303.db2.gz BPHQKTMHPXEGQR-GHMZBOCLSA-N 0 3 224.373 3.059 20 0 BGADHN CC[C@@H]1CCC[C@H]1CNCc1nccs1 ZINC000648704001 397933384 /nfs/dbraw/zinc/93/33/84/397933384.db2.gz BPHQKTMHPXEGQR-MNOVXSKESA-N 0 3 224.373 3.059 20 0 BGADHN CC[C@H]1CCC[C@H]1CNCc1nccs1 ZINC000648704002 397933441 /nfs/dbraw/zinc/93/34/41/397933441.db2.gz BPHQKTMHPXEGQR-QWRGUYRKSA-N 0 3 224.373 3.059 20 0 BGADHN CC[C@H]1CCC[C@@H]1CNCc1nccs1 ZINC000648704003 397932816 /nfs/dbraw/zinc/93/28/16/397932816.db2.gz BPHQKTMHPXEGQR-WDEREUQCSA-N 0 3 224.373 3.059 20 0 BGADHN C[C@H](CC(C)(C)O)NCc1cscc1Cl ZINC000648715657 387971494 /nfs/dbraw/zinc/97/14/94/387971494.db2.gz KQOOQAXGUWRTAV-MRVPVSSYSA-N 0 3 247.791 3.041 20 0 BGADHN C[C@@H](CC(C)(C)O)NCc1cscc1Cl ZINC000648715658 387971895 /nfs/dbraw/zinc/97/18/95/387971895.db2.gz KQOOQAXGUWRTAV-QMMMGPOBSA-N 0 3 247.791 3.041 20 0 BGADHN CC/C=C\CNCc1nccc2ccccc21 ZINC000648716636 388241986 /nfs/dbraw/zinc/24/19/86/388241986.db2.gz AIQNZGXXSSCGAX-UTCJRWHESA-N 0 3 226.323 3.291 20 0 BGADHN CC/C=C/CNCc1nccc2ccccc21 ZINC000648716637 397999677 /nfs/dbraw/zinc/99/96/77/397999677.db2.gz AIQNZGXXSSCGAX-ZZXKWVIFSA-N 0 3 226.323 3.291 20 0 BGADHN CC/C=C\CNCc1cc2ccccc2[nH]1 ZINC000648716694 388246060 /nfs/dbraw/zinc/24/60/60/388246060.db2.gz IRSOAINUXZDFIO-UTCJRWHESA-N 0 3 214.312 3.224 20 0 BGADHN CC/C=C/CNCc1cc2ccccc2[nH]1 ZINC000648716695 388245861 /nfs/dbraw/zinc/24/58/61/388245861.db2.gz IRSOAINUXZDFIO-ZZXKWVIFSA-N 0 3 214.312 3.224 20 0 BGADHN CC(C)(CN1CC[C@H](F)C1)c1ccccc1 ZINC000648721169 388178954 /nfs/dbraw/zinc/17/89/54/388178954.db2.gz YNSXZFBLCGZNHQ-ZDUSSCGKSA-N 0 3 221.319 3.008 20 0 BGADHN CC(C)(CN1CC[C@@H](F)C1)c1ccccc1 ZINC000648721641 388355139 /nfs/dbraw/zinc/35/51/39/388355139.db2.gz YNSXZFBLCGZNHQ-CYBMUJFWSA-N 0 3 221.319 3.008 20 0 BGADHN CC[C@](C)(CNCc1cscc1Cl)OC ZINC000648726733 388409238 /nfs/dbraw/zinc/40/92/38/388409238.db2.gz XJTZKOUBCTWESN-LLVKDONJSA-N 0 3 247.791 3.306 20 0 BGADHN CC[C@@](C)(CNCc1cscc1Cl)OC ZINC000648726734 388409442 /nfs/dbraw/zinc/40/94/42/388409442.db2.gz XJTZKOUBCTWESN-NSHDSACASA-N 0 3 247.791 3.306 20 0 BGADHN CC[C@@H](C)CN1CCc2cccc(OC)c2C1 ZINC000648769803 388857221 /nfs/dbraw/zinc/85/72/21/388857221.db2.gz CRAVBHXMHHGNLL-GFCCVEGCSA-N 0 3 233.355 3.099 20 0 BGADHN CC[C@H](C)CN1CCc2cccc(OC)c2C1 ZINC000648769804 388858163 /nfs/dbraw/zinc/85/81/63/388858163.db2.gz CRAVBHXMHHGNLL-LBPRGKRZSA-N 0 3 233.355 3.099 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@H](C)CC1CCC1 ZINC000648774482 388860672 /nfs/dbraw/zinc/86/06/72/388860672.db2.gz AUIWTDMREKSIRI-NEPJUHHUSA-N 0 3 235.375 3.132 20 0 BGADHN CCn1ccnc1[C@@H](C)N[C@@H](C)CC1CCC1 ZINC000648774483 388860983 /nfs/dbraw/zinc/86/09/83/388860983.db2.gz AUIWTDMREKSIRI-NWDGAFQWSA-N 0 3 235.375 3.132 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@@H](C)CC1CCC1 ZINC000648774484 388861179 /nfs/dbraw/zinc/86/11/79/388861179.db2.gz AUIWTDMREKSIRI-RYUDHWBXSA-N 0 3 235.375 3.132 20 0 BGADHN CCn1ccnc1[C@@H](C)N[C@H](C)CC1CCC1 ZINC000648774485 388861156 /nfs/dbraw/zinc/86/11/56/388861156.db2.gz AUIWTDMREKSIRI-VXGBXAGGSA-N 0 3 235.375 3.132 20 0 BGADHN CCn1ccnc1[C@H](C)NC[C@@H](C)C(C)(C)C ZINC000648775123 388862237 /nfs/dbraw/zinc/86/22/37/388862237.db2.gz MQHZNIGDSHTICD-NEPJUHHUSA-N 0 3 237.391 3.236 20 0 BGADHN CCn1ccnc1[C@@H](C)NC[C@H](C)C(C)(C)C ZINC000648775124 388862244 /nfs/dbraw/zinc/86/22/44/388862244.db2.gz MQHZNIGDSHTICD-NWDGAFQWSA-N 0 3 237.391 3.236 20 0 BGADHN CCn1ccnc1[C@H](C)NC[C@H](C)C(C)(C)C ZINC000648775125 388862002 /nfs/dbraw/zinc/86/20/02/388862002.db2.gz MQHZNIGDSHTICD-RYUDHWBXSA-N 0 3 237.391 3.236 20 0 BGADHN CCn1ccnc1[C@@H](C)NC[C@@H](C)C(C)(C)C ZINC000648775126 388862398 /nfs/dbraw/zinc/86/23/98/388862398.db2.gz MQHZNIGDSHTICD-VXGBXAGGSA-N 0 3 237.391 3.236 20 0 BGADHN C[C@H](CC1CCC1)N[C@H]1C[C@H](C)n2ccnc21 ZINC000648776399 388862185 /nfs/dbraw/zinc/86/21/85/388862185.db2.gz HNBQQAPXCIFTOF-MDZLAQPJSA-N 0 3 233.359 3.057 20 0 BGADHN C[C@H](CC1CCC1)N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000648776400 388863160 /nfs/dbraw/zinc/86/31/60/388863160.db2.gz HNBQQAPXCIFTOF-NQBHXWOUSA-N 0 3 233.359 3.057 20 0 BGADHN C[C@H](CC1CCC1)N[C@@H]1C[C@H](C)n2ccnc21 ZINC000648776401 388862375 /nfs/dbraw/zinc/86/23/75/388862375.db2.gz HNBQQAPXCIFTOF-NTZNESFSSA-N 0 3 233.359 3.057 20 0 BGADHN C[C@H](CC1CCC1)N[C@H]1C[C@@H](C)n2ccnc21 ZINC000648776402 388862950 /nfs/dbraw/zinc/86/29/50/388862950.db2.gz HNBQQAPXCIFTOF-WZRBSPASSA-N 0 3 233.359 3.057 20 0 BGADHN CCc1ncc(CN[C@@H]2CCCCC2(C)C)o1 ZINC000648789407 388355956 /nfs/dbraw/zinc/35/59/56/388355956.db2.gz NFQGJOYANSMPLX-GFCCVEGCSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1ncc(CN[C@H]2CCCCC2(C)C)o1 ZINC000648789408 388355999 /nfs/dbraw/zinc/35/59/99/388355999.db2.gz NFQGJOYANSMPLX-LBPRGKRZSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1ncc(CNC[C@H](C)C(C)(C)C)o1 ZINC000648789548 388357836 /nfs/dbraw/zinc/35/78/36/388357836.db2.gz VWYRUBQNZCWOBG-JTQLQIEISA-N 0 3 224.348 3.009 20 0 BGADHN CCc1ncc(CNC[C@@H](C)C(C)(C)C)o1 ZINC000648789549 388357473 /nfs/dbraw/zinc/35/74/73/388357473.db2.gz VWYRUBQNZCWOBG-SNVBAGLBSA-N 0 3 224.348 3.009 20 0 BGADHN CCCc1ncc(CN[C@H](C)CC2CCC2)o1 ZINC000648790798 388358504 /nfs/dbraw/zinc/35/85/04/388358504.db2.gz UMVQFODUAWSXIO-LLVKDONJSA-N 0 3 236.359 3.295 20 0 BGADHN CCCc1ncc(CN[C@@H](C)CC2CCC2)o1 ZINC000648790799 388358553 /nfs/dbraw/zinc/35/85/53/388358553.db2.gz UMVQFODUAWSXIO-NSHDSACASA-N 0 3 236.359 3.295 20 0 BGADHN CCCc1ncc(CNC[C@@H](C)C(C)(C)C)o1 ZINC000648791316 388360239 /nfs/dbraw/zinc/36/02/39/388360239.db2.gz FNGXPTXUDPQCNW-LLVKDONJSA-N 0 3 238.375 3.399 20 0 BGADHN CCCc1ncc(CNC[C@H](C)C(C)(C)C)o1 ZINC000648791317 388360110 /nfs/dbraw/zinc/36/01/10/388360110.db2.gz FNGXPTXUDPQCNW-NSHDSACASA-N 0 3 238.375 3.399 20 0 BGADHN CC1(C2(NCc3nc4c(s3)CCC4)CC2)CC1 ZINC000648809826 397938833 /nfs/dbraw/zinc/93/88/33/397938833.db2.gz SAQHYQHYOATFEF-UHFFFAOYSA-N 0 3 248.395 3.054 20 0 BGADHN COc1cc(CNCC=C(C)C)ccc1Cl ZINC000648816731 388409911 /nfs/dbraw/zinc/40/99/11/388409911.db2.gz DMPFZPWWBFSCDD-UHFFFAOYSA-N 0 3 239.746 3.404 20 0 BGADHN CCC(C)(C)CNCc1cnc(C2CC2)o1 ZINC000648823271 388414697 /nfs/dbraw/zinc/41/46/97/388414697.db2.gz DNFQWAVFTPVDJP-UHFFFAOYSA-N 0 3 222.332 3.078 20 0 BGADHN C[C@@H](CC1CCC1)NCc1cnc(C2CC2)o1 ZINC000648824627 388415168 /nfs/dbraw/zinc/41/51/68/388415168.db2.gz TYOUWVVKCLMQJM-JTQLQIEISA-N 0 3 234.343 3.220 20 0 BGADHN C[C@H](CC1CCC1)NCc1cnc(C2CC2)o1 ZINC000648824628 388415166 /nfs/dbraw/zinc/41/51/66/388415166.db2.gz TYOUWVVKCLMQJM-SNVBAGLBSA-N 0 3 234.343 3.220 20 0 BGADHN CCc1cc(N(C)Cc2ccsc2)ccn1 ZINC000649227541 388463750 /nfs/dbraw/zinc/46/37/50/388463750.db2.gz OLDKIWNSLXIYBO-UHFFFAOYSA-N 0 3 232.352 3.342 20 0 BGADHN CC(=O)c1cccc(CN(C)CCC(C)C)c1 ZINC000649251473 388470489 /nfs/dbraw/zinc/47/04/89/388470489.db2.gz TZANJSJPJFUZNX-UHFFFAOYSA-N 0 3 233.355 3.367 20 0 BGADHN CCc1cc(N(CC)Cc2ccoc2)ccn1 ZINC000649266001 388476040 /nfs/dbraw/zinc/47/60/40/388476040.db2.gz JBNAEEFKWPROTJ-UHFFFAOYSA-N 0 3 230.311 3.264 20 0 BGADHN CCc1cc(N2CC[C@@H](c3ccco3)C2)ccn1 ZINC000649274260 388488341 /nfs/dbraw/zinc/48/83/41/388488341.db2.gz JFXONDSKCMGJAK-GFCCVEGCSA-N 0 3 242.322 3.231 20 0 BGADHN CCc1cc(N2CC[C@H](c3ccco3)C2)ccn1 ZINC000649274261 388487735 /nfs/dbraw/zinc/48/77/35/388487735.db2.gz JFXONDSKCMGJAK-LBPRGKRZSA-N 0 3 242.322 3.231 20 0 BGADHN CC(=O)c1cccc(CN2CCC[C@H]2C2CC2)c1 ZINC000649284416 388532666 /nfs/dbraw/zinc/53/26/66/388532666.db2.gz VNOLPWZLKRUZNM-INIZCTEOSA-N 0 3 243.350 3.264 20 0 BGADHN CC(=O)c1cccc(CN2CCC[C@@H]2C2CC2)c1 ZINC000649284417 388532414 /nfs/dbraw/zinc/53/24/14/388532414.db2.gz VNOLPWZLKRUZNM-MRXNPFEDSA-N 0 3 243.350 3.264 20 0 BGADHN c1nc(CCN2C3CCCC2CCC3)cs1 ZINC000649323862 398144743 /nfs/dbraw/zinc/14/47/43/398144743.db2.gz UPOSZJJDEJVGCX-UHFFFAOYSA-N 0 3 236.384 3.093 20 0 BGADHN CCc1cc(N(C)Cc2ccn(CC)c2)ccn1 ZINC000649342414 398159513 /nfs/dbraw/zinc/15/95/13/398159513.db2.gz KPZGTJDSPIFMRS-UHFFFAOYSA-N 0 3 243.354 3.102 20 0 BGADHN COc1cc(CN(C)C(C)C)ccc1Cl ZINC000649351636 398163145 /nfs/dbraw/zinc/16/31/45/398163145.db2.gz XFVAVLBLSWAAIY-UHFFFAOYSA-N 0 3 227.735 3.189 20 0 BGADHN CCc1cc(N2CCC3(CCC3)CC2)ccn1 ZINC000649366929 398179678 /nfs/dbraw/zinc/17/96/78/398179678.db2.gz YYXGTIVLMJMPCS-UHFFFAOYSA-N 0 3 230.355 3.415 20 0 BGADHN CCc1cc(N2CCC(C3CC3)CC2)ccn1 ZINC000649371772 398182320 /nfs/dbraw/zinc/18/23/20/398182320.db2.gz BGQDUKKXJJVACK-UHFFFAOYSA-N 0 3 230.355 3.270 20 0 BGADHN FC1(F)CC2(CN(CC34CCC(CC3)C4)C2)C1 ZINC000649401641 398199383 /nfs/dbraw/zinc/19/93/83/398199383.db2.gz QMWWHFQRHQBCBF-UHFFFAOYSA-N 0 3 241.325 3.298 20 0 BGADHN CC(C)C[C@H](C)N1CC2(C1)CC(F)(F)C2 ZINC000649401674 398199326 /nfs/dbraw/zinc/19/93/26/398199326.db2.gz ZEHZQLUPNWBDSW-JTQLQIEISA-N 0 3 217.303 3.152 20 0 BGADHN CC(C)C[C@@H](C)N1CC2(C1)CC(F)(F)C2 ZINC000649401675 398199660 /nfs/dbraw/zinc/19/96/60/398199660.db2.gz ZEHZQLUPNWBDSW-SNVBAGLBSA-N 0 3 217.303 3.152 20 0 BGADHN Cc1noc(C)c1[C@H](C)NCC1=CCCCC1 ZINC000649410903 398210161 /nfs/dbraw/zinc/21/01/61/398210161.db2.gz CKEMFYFYTYRTOK-JTQLQIEISA-N 0 3 234.343 3.442 20 0 BGADHN Cc1noc(C)c1[C@@H](C)NCC1=CCCCC1 ZINC000649410904 398210103 /nfs/dbraw/zinc/21/01/03/398210103.db2.gz CKEMFYFYTYRTOK-SNVBAGLBSA-N 0 3 234.343 3.442 20 0 BGADHN C[C@@H]1CCN(C[C@@H]2CCC(F)(F)C2)C[C@H]1F ZINC000649416280 398216254 /nfs/dbraw/zinc/21/62/54/398216254.db2.gz CFMHVUZBXNBQED-GMTAPVOTSA-N 0 3 235.293 3.102 20 0 BGADHN C[C@@H]1CCN(C[C@@H]2CCC(F)(F)C2)C[C@@H]1F ZINC000649416281 398216070 /nfs/dbraw/zinc/21/60/70/398216070.db2.gz CFMHVUZBXNBQED-MXWKQRLJSA-N 0 3 235.293 3.102 20 0 BGADHN C[C@@H]1CCN(C[C@H]2CCC(F)(F)C2)C[C@H]1F ZINC000649416282 398216571 /nfs/dbraw/zinc/21/65/71/398216571.db2.gz CFMHVUZBXNBQED-OUAUKWLOSA-N 0 3 235.293 3.102 20 0 BGADHN C[C@@H]1CCN(C[C@H]2CCC(F)(F)C2)C[C@@H]1F ZINC000649416283 398215893 /nfs/dbraw/zinc/21/58/93/398215893.db2.gz CFMHVUZBXNBQED-VWYCJHECSA-N 0 3 235.293 3.102 20 0 BGADHN Clc1ccc(CCN2CC=CCC2)cc1 ZINC000649417236 398217827 /nfs/dbraw/zinc/21/78/27/398217827.db2.gz FWMSMRXMVCVSTD-UHFFFAOYSA-N 0 3 221.731 3.144 20 0 BGADHN CN(C)CCOc1cccc(-c2cccs2)c1 ZINC000649422903 398222077 /nfs/dbraw/zinc/22/20/77/398222077.db2.gz HXSWVQAIHIZRBB-UHFFFAOYSA-N 0 3 247.363 3.356 20 0 BGADHN CN(C)CCOc1ccc(-c2cccs2)cc1 ZINC000649422939 398222055 /nfs/dbraw/zinc/22/20/55/398222055.db2.gz MFHDHCSHZNKVKI-UHFFFAOYSA-N 0 3 247.363 3.356 20 0 BGADHN CN(C)CCOc1cccc(-c2ccsc2)c1 ZINC000649422978 398222101 /nfs/dbraw/zinc/22/21/01/398222101.db2.gz OZWIGCIPKDWLQV-UHFFFAOYSA-N 0 3 247.363 3.356 20 0 BGADHN CN(C)CCOc1ccc(-c2ccsc2)cc1 ZINC000649423011 398222593 /nfs/dbraw/zinc/22/25/93/398222593.db2.gz SILOELBDQQMIJT-UHFFFAOYSA-N 0 3 247.363 3.356 20 0 BGADHN c1cc(-c2ccccc2CN2CCCC2)ns1 ZINC000649433901 398235489 /nfs/dbraw/zinc/23/54/89/398235489.db2.gz MQSNHXIIDOVAMZ-UHFFFAOYSA-N 0 3 244.363 3.406 20 0 BGADHN Cc1cnc(-c2cccc(CN(C)C)c2)c(C)c1 ZINC000649436475 398238467 /nfs/dbraw/zinc/23/84/67/398238467.db2.gz GXGLMXGOALSICC-UHFFFAOYSA-N 0 3 240.350 3.427 20 0 BGADHN Cc1noc(C)c1-c1cccc(CN(C)C)c1 ZINC000649436521 398238271 /nfs/dbraw/zinc/23/82/71/398238271.db2.gz IRVMLBGBTVONQZ-UHFFFAOYSA-N 0 3 230.311 3.020 20 0 BGADHN Cc1ccc(-c2cccc(CN(C)C)c2)nc1 ZINC000649436531 398238496 /nfs/dbraw/zinc/23/84/96/398238496.db2.gz JEQIMRBVLVSXST-UHFFFAOYSA-N 0 3 226.323 3.119 20 0 BGADHN Cc1cccnc1-c1cccc(CN(C)C)c1 ZINC000649436535 398238361 /nfs/dbraw/zinc/23/83/61/398238361.db2.gz JLXPTBQAPPEBKM-UHFFFAOYSA-N 0 3 226.323 3.119 20 0 BGADHN Cc1cc(-c2cccc(CN(C)C)c2)sn1 ZINC000649436584 398238264 /nfs/dbraw/zinc/23/82/64/398238264.db2.gz LHPDPWCBNBXSFH-UHFFFAOYSA-N 0 3 232.352 3.180 20 0 BGADHN Cc1ncc(-c2cccc(CN(C)C)c2)s1 ZINC000649436590 398238506 /nfs/dbraw/zinc/23/85/06/398238506.db2.gz LMHCJLMFXRZFFY-UHFFFAOYSA-N 0 3 232.352 3.180 20 0 BGADHN COc1ccccc1-c1cccc(CN(C)C)c1 ZINC000649436666 398238539 /nfs/dbraw/zinc/23/85/39/398238539.db2.gz ODOBSYCFYRVLPX-UHFFFAOYSA-N 0 3 241.334 3.424 20 0 BGADHN CCc1cccc(-c2cccc(CN(C)C)c2)n1 ZINC000649436880 398238307 /nfs/dbraw/zinc/23/83/07/398238307.db2.gz UNCVSFSGWDFKSZ-UHFFFAOYSA-N 0 3 240.350 3.373 20 0 BGADHN CN(Cc1cccc(-c2nccs2)c1)C1CC1 ZINC000649438529 398240387 /nfs/dbraw/zinc/24/03/87/398240387.db2.gz FKBVRILJCJUUHN-UHFFFAOYSA-N 0 3 244.363 3.404 20 0 BGADHN Cc1ccc(-c2ccc(OCCN(C)C)cc2)o1 ZINC000649440759 398241134 /nfs/dbraw/zinc/24/11/34/398241134.db2.gz AJVBSQDMNNEKFH-UHFFFAOYSA-N 0 3 245.322 3.195 20 0 BGADHN Cc1ccc(-c2cccc(OCCN(C)C)c2)o1 ZINC000649440910 398241188 /nfs/dbraw/zinc/24/11/88/398241188.db2.gz IQHHOOLLROUGNK-UHFFFAOYSA-N 0 3 245.322 3.195 20 0 BGADHN CCCCN(C)Cc1cc(OC(C)C)ccn1 ZINC000649474496 398273647 /nfs/dbraw/zinc/27/36/47/398273647.db2.gz GMWVFPHNKUHLSQ-UHFFFAOYSA-N 0 3 236.359 3.101 20 0 BGADHN CCCCN(CCCC)Cc1cc2n(n1)CCC2 ZINC000649475833 398273392 /nfs/dbraw/zinc/27/33/92/398273392.db2.gz NUFXKRCBWLRPNB-UHFFFAOYSA-N 0 3 249.402 3.232 20 0 BGADHN CC(C)Oc1ccnc(CN(C)C2CCCC2)c1 ZINC000649479247 398277122 /nfs/dbraw/zinc/27/71/22/398277122.db2.gz MAMARDOTENHKQT-UHFFFAOYSA-N 0 3 248.370 3.243 20 0 BGADHN CC(C)Oc1ccnc(CN(C)[C@H](C)C2CC2)c1 ZINC000649479902 398277715 /nfs/dbraw/zinc/27/77/15/398277715.db2.gz OGZMUYJBVYKPOH-GFCCVEGCSA-N 0 3 248.370 3.099 20 0 BGADHN CC(C)Oc1ccnc(CN(C)[C@@H](C)C2CC2)c1 ZINC000649479905 398277588 /nfs/dbraw/zinc/27/75/88/398277588.db2.gz OGZMUYJBVYKPOH-LBPRGKRZSA-N 0 3 248.370 3.099 20 0 BGADHN CC(C)Oc1ccnc(CN2CCC[C@@H](C)C2)c1 ZINC000649481419 398279288 /nfs/dbraw/zinc/27/92/88/398279288.db2.gz HHUFCWVQZDTNGC-CYBMUJFWSA-N 0 3 248.370 3.101 20 0 BGADHN CC(C)Oc1ccnc(CN2CCC[C@H](C)C2)c1 ZINC000649481420 398278890 /nfs/dbraw/zinc/27/88/90/398278890.db2.gz HHUFCWVQZDTNGC-ZDUSSCGKSA-N 0 3 248.370 3.101 20 0 BGADHN CC(C)Oc1ccnc(CN2CCCC[C@H]2C)c1 ZINC000649481667 398279682 /nfs/dbraw/zinc/27/96/82/398279682.db2.gz PAELCTALJROGKK-CYBMUJFWSA-N 0 3 248.370 3.243 20 0 BGADHN CC(C)Oc1ccnc(CN2CCCC[C@@H]2C)c1 ZINC000649481668 398279606 /nfs/dbraw/zinc/27/96/06/398279606.db2.gz PAELCTALJROGKK-ZDUSSCGKSA-N 0 3 248.370 3.243 20 0 BGADHN CC(C)Oc1ccnc(CN2CCCCCC2)c1 ZINC000649483425 398281360 /nfs/dbraw/zinc/28/13/60/398281360.db2.gz LOCHMKLBIWZZQO-UHFFFAOYSA-N 0 3 248.370 3.245 20 0 BGADHN CCCCCN(Cc1cc2n(n1)CCC2)C(C)C ZINC000649485668 398283402 /nfs/dbraw/zinc/28/34/02/398283402.db2.gz SQNGNUPSYXPJQN-UHFFFAOYSA-N 0 3 249.402 3.230 20 0 BGADHN CCC(CC)CN(CC)Cc1cc2n(n1)CCC2 ZINC000649486194 398282949 /nfs/dbraw/zinc/28/29/49/398282949.db2.gz ATWUSCDSCJWOHN-UHFFFAOYSA-N 0 3 249.402 3.087 20 0 BGADHN CC(C)CN(Cc1cc2n(n1)CCCC2)C(C)C ZINC000649487546 398285056 /nfs/dbraw/zinc/28/50/56/398285056.db2.gz FTSLEIMGRRUSHS-UHFFFAOYSA-N 0 3 249.402 3.086 20 0 BGADHN CC(C)Oc1ccnc(CN(C(C)C)C2CC2)c1 ZINC000649487564 398285095 /nfs/dbraw/zinc/28/50/95/398285095.db2.gz GNUOJBMICGEMGM-UHFFFAOYSA-N 0 3 248.370 3.242 20 0 BGADHN CC[C@H](OCCN(C)C1CC1)c1ccccc1 ZINC000649488025 398285626 /nfs/dbraw/zinc/28/56/26/398285626.db2.gz YVGPOIIOJBDRPR-HNNXBMFYSA-N 0 3 233.355 3.249 20 0 BGADHN CC[C@@H](OCCN(C)C1CC1)c1ccccc1 ZINC000649488026 398286096 /nfs/dbraw/zinc/28/60/96/398286096.db2.gz YVGPOIIOJBDRPR-OAHLLOKOSA-N 0 3 233.355 3.249 20 0 BGADHN CCN(Cc1cc2n(n1)CCCC2)[C@H](C)C(C)C ZINC000649498830 398294008 /nfs/dbraw/zinc/29/40/08/398294008.db2.gz ZMPTWPYCOKQXJW-CYBMUJFWSA-N 0 3 249.402 3.086 20 0 BGADHN CCN(Cc1cc2n(n1)CCCC2)[C@@H](C)C(C)C ZINC000649498831 398294068 /nfs/dbraw/zinc/29/40/68/398294068.db2.gz ZMPTWPYCOKQXJW-ZDUSSCGKSA-N 0 3 249.402 3.086 20 0 BGADHN CCCN(CC)Cc1cc(OC(C)C)ccn1 ZINC000649499109 398294822 /nfs/dbraw/zinc/29/48/22/398294822.db2.gz ITCKJKZHCUZNHM-UHFFFAOYSA-N 0 3 236.359 3.101 20 0 BGADHN CCCN(Cc1cc2n(n1)CCCC2)CC(C)C ZINC000649500439 398298453 /nfs/dbraw/zinc/29/84/53/398298453.db2.gz CLMFVWGRRPOXIM-UHFFFAOYSA-N 0 3 249.402 3.087 20 0 BGADHN CC(C)(C)CC(C)(C)NCc1cc2n(n1)CCC2 ZINC000649507070 398302833 /nfs/dbraw/zinc/30/28/33/398302833.db2.gz JWUYZMNBLOMBAR-UHFFFAOYSA-N 0 3 249.402 3.134 20 0 BGADHN CC[C@H]1CCCN1Cc1cc(OC(C)C)ccn1 ZINC000649507096 398303083 /nfs/dbraw/zinc/30/30/83/398303083.db2.gz KUCQKUYLLCHXMF-AWEZNQCLSA-N 0 3 248.370 3.243 20 0 BGADHN CC[C@@H]1CCCN1Cc1cc(OC(C)C)ccn1 ZINC000649507097 398303199 /nfs/dbraw/zinc/30/31/99/398303199.db2.gz KUCQKUYLLCHXMF-CQSZACIVSA-N 0 3 248.370 3.243 20 0 BGADHN CC(C)Oc1ccnc(CN2CCCC2(C)C)c1 ZINC000649508305 398303755 /nfs/dbraw/zinc/30/37/55/398303755.db2.gz OWMWFVUNJCBUCL-UHFFFAOYSA-N 0 3 248.370 3.243 20 0 BGADHN CCCN(Cc1cc(OC(C)C)ccn1)C1CC1 ZINC000649509161 398302159 /nfs/dbraw/zinc/30/21/59/398302159.db2.gz PZTUVYAOBDNZJH-UHFFFAOYSA-N 0 3 248.370 3.243 20 0 BGADHN CCN(Cc1cc(OC(C)C)ccn1)CC1CC1 ZINC000649529115 397921835 /nfs/dbraw/zinc/92/18/35/397921835.db2.gz FKNVQESJQAKZRU-UHFFFAOYSA-N 0 3 248.370 3.101 20 0 BGADHN CCN(Cc1cc(OC(C)C)ccn1)C1CCC1 ZINC000649536954 397926210 /nfs/dbraw/zinc/92/62/10/397926210.db2.gz NSUQCOLWVDSWTJ-UHFFFAOYSA-N 0 3 248.370 3.243 20 0 BGADHN CC(C)Oc1ccnc(CN2C[C@H](C)C[C@H]2C)c1 ZINC000649539063 397932773 /nfs/dbraw/zinc/93/27/73/397932773.db2.gz JDGLOBWMGVRWHI-CHWSQXEVSA-N 0 3 248.370 3.099 20 0 BGADHN CC(C)Oc1ccnc(CN2C[C@H](C)C[C@@H]2C)c1 ZINC000649539064 397932909 /nfs/dbraw/zinc/93/29/09/397932909.db2.gz JDGLOBWMGVRWHI-OLZOCXBDSA-N 0 3 248.370 3.099 20 0 BGADHN CC(C)Oc1ccnc(CN2C[C@@H](C)C[C@H]2C)c1 ZINC000649539065 397933302 /nfs/dbraw/zinc/93/33/02/397933302.db2.gz JDGLOBWMGVRWHI-QWHCGFSZSA-N 0 3 248.370 3.099 20 0 BGADHN CC(C)Oc1ccnc(CN2C[C@@H](C)C[C@@H]2C)c1 ZINC000649539066 397933570 /nfs/dbraw/zinc/93/35/70/397933570.db2.gz JDGLOBWMGVRWHI-STQMWFEESA-N 0 3 248.370 3.099 20 0 BGADHN CC(C)Oc1ccnc(CN2CCC(C)(C)C2)c1 ZINC000649545894 397936431 /nfs/dbraw/zinc/93/64/31/397936431.db2.gz XNWNXERTGVBKIG-UHFFFAOYSA-N 0 3 248.370 3.101 20 0 BGADHN CC[C@@H](C)CN(CC)Cc1cc2n(n1)CCCC2 ZINC000649547081 397937919 /nfs/dbraw/zinc/93/79/19/397937919.db2.gz KDRAZWMRRRNLMH-CYBMUJFWSA-N 0 3 249.402 3.087 20 0 BGADHN CC[C@H](C)CN(CC)Cc1cc2n(n1)CCCC2 ZINC000649547082 397937361 /nfs/dbraw/zinc/93/73/61/397937361.db2.gz KDRAZWMRRRNLMH-ZDUSSCGKSA-N 0 3 249.402 3.087 20 0 BGADHN CC(C)Oc1ccnc(CN2CC[C@@H](C)[C@H]2C)c1 ZINC000649547703 397938433 /nfs/dbraw/zinc/93/84/33/397938433.db2.gz ADROEDKHGLUEMA-CHWSQXEVSA-N 0 3 248.370 3.099 20 0 BGADHN CC(C)Oc1ccnc(CN2CC[C@@H](C)[C@@H]2C)c1 ZINC000649547704 397939051 /nfs/dbraw/zinc/93/90/51/397939051.db2.gz ADROEDKHGLUEMA-OLZOCXBDSA-N 0 3 248.370 3.099 20 0 BGADHN CC(C)Oc1ccnc(CN2CC[C@H](C)[C@H]2C)c1 ZINC000649547705 397938585 /nfs/dbraw/zinc/93/85/85/397938585.db2.gz ADROEDKHGLUEMA-QWHCGFSZSA-N 0 3 248.370 3.099 20 0 BGADHN CC(C)Oc1ccnc(CN2CC[C@H](C)[C@@H]2C)c1 ZINC000649547706 397938689 /nfs/dbraw/zinc/93/86/89/397938689.db2.gz ADROEDKHGLUEMA-STQMWFEESA-N 0 3 248.370 3.099 20 0 BGADHN CC(C)Oc1ccnc(CN2[C@H](C)CC[C@@H]2C)c1 ZINC000649550086 397941965 /nfs/dbraw/zinc/94/19/65/397941965.db2.gz BGXFZODLTJVFPU-BETUJISGSA-N 0 3 248.370 3.242 20 0 BGADHN CC(C)Oc1ccnc(CN2[C@H](C)CC[C@H]2C)c1 ZINC000649550087 397941703 /nfs/dbraw/zinc/94/17/03/397941703.db2.gz BGXFZODLTJVFPU-CHWSQXEVSA-N 0 3 248.370 3.242 20 0 BGADHN CC(C)Oc1ccnc(CN2[C@@H](C)CC[C@@H]2C)c1 ZINC000649550088 397941290 /nfs/dbraw/zinc/94/12/90/397941290.db2.gz BGXFZODLTJVFPU-STQMWFEESA-N 0 3 248.370 3.242 20 0 BGADHN CC[C@@H]1CCN(Cc2cc(OC(C)C)ccn2)C1 ZINC000649550602 397942595 /nfs/dbraw/zinc/94/25/95/397942595.db2.gz VEQFQRAOGSULIK-CYBMUJFWSA-N 0 3 248.370 3.101 20 0 BGADHN CC[C@H]1CCN(Cc2cc(OC(C)C)ccn2)C1 ZINC000649550603 397942586 /nfs/dbraw/zinc/94/25/86/397942586.db2.gz VEQFQRAOGSULIK-ZDUSSCGKSA-N 0 3 248.370 3.101 20 0 BGADHN CC[C@@H](C)N(C)Cc1cc(OC(C)C)ccn1 ZINC000649558398 397950034 /nfs/dbraw/zinc/95/00/34/397950034.db2.gz MKBOMIGZRWXCRP-GFCCVEGCSA-N 0 3 236.359 3.099 20 0 BGADHN CC[C@H](C)N(C)Cc1cc(OC(C)C)ccn1 ZINC000649558399 397950582 /nfs/dbraw/zinc/95/05/82/397950582.db2.gz MKBOMIGZRWXCRP-LBPRGKRZSA-N 0 3 236.359 3.099 20 0 BGADHN CCC(CC)(CC)NCc1cc2n(n1)CCCC2 ZINC000649562191 397953235 /nfs/dbraw/zinc/95/32/35/397953235.db2.gz YOTMRTSKEGMYPN-UHFFFAOYSA-N 0 3 249.402 3.278 20 0 BGADHN CC(C)Oc1ccnc(CN(C)CCC2CC2)c1 ZINC000649566641 397954894 /nfs/dbraw/zinc/95/48/94/397954894.db2.gz SAGHFPXHQZKSFO-UHFFFAOYSA-N 0 3 248.370 3.101 20 0 BGADHN CC[C@H](OCCN1CC=CCC1)c1ccccc1 ZINC000649578542 397966945 /nfs/dbraw/zinc/96/69/45/397966945.db2.gz UPSFIMOGMHQUQG-INIZCTEOSA-N 0 3 245.366 3.416 20 0 BGADHN CC[C@@H](OCCN1CC=CCC1)c1ccccc1 ZINC000649578543 397967115 /nfs/dbraw/zinc/96/71/15/397967115.db2.gz UPSFIMOGMHQUQG-MRXNPFEDSA-N 0 3 245.366 3.416 20 0 BGADHN CC(C)Oc1ccnc(CN[C@H]2CCC[C@H]2C)c1 ZINC000649593349 487767577 /nfs/dbraw/zinc/76/75/77/487767577.db2.gz MFRBUEHNNQLPFP-DOMZBBRYSA-N 0 3 248.370 3.147 20 0 BGADHN CC(C)Oc1ccnc(CN[C@@H]2CCC[C@H]2C)c1 ZINC000649593350 487767653 /nfs/dbraw/zinc/76/76/53/487767653.db2.gz MFRBUEHNNQLPFP-IUODEOHRSA-N 0 3 248.370 3.147 20 0 BGADHN CC(C)Oc1ccnc(CN[C@@H]2CCC[C@@H]2C)c1 ZINC000649593351 487768133 /nfs/dbraw/zinc/76/81/33/487768133.db2.gz MFRBUEHNNQLPFP-SWLSCSKDSA-N 0 3 248.370 3.147 20 0 BGADHN CC(C)Oc1ccnc(CN[C@H]2CCC[C@@H]2C)c1 ZINC000649593352 487768142 /nfs/dbraw/zinc/76/81/42/487768142.db2.gz MFRBUEHNNQLPFP-WFASDCNBSA-N 0 3 248.370 3.147 20 0 BGADHN CCC(CC)N(CC)Cc1cc2n(n1)CCCC2 ZINC000649612608 487771311 /nfs/dbraw/zinc/77/13/11/487771311.db2.gz MAOLUDGHJGOPLR-UHFFFAOYSA-N 0 3 249.402 3.230 20 0 BGADHN CCC1(NCc2cc3n(n2)CCCC3)CCCC1 ZINC000649620266 398002806 /nfs/dbraw/zinc/00/28/06/398002806.db2.gz UCMFYCNFSLTKQA-UHFFFAOYSA-N 0 3 247.386 3.032 20 0 BGADHN CCC[C@H](NCc1cc2n(n1)CCC2)C(C)(C)C ZINC000649621100 398004603 /nfs/dbraw/zinc/00/46/03/398004603.db2.gz FFWBBMVAEWLJBQ-AWEZNQCLSA-N 0 3 249.402 3.134 20 0 BGADHN CCC[C@@H](NCc1cc2n(n1)CCC2)C(C)(C)C ZINC000649621101 398004609 /nfs/dbraw/zinc/00/46/09/398004609.db2.gz FFWBBMVAEWLJBQ-CQSZACIVSA-N 0 3 249.402 3.134 20 0 BGADHN CC(C)Oc1ccnc(CN(C)C(C)(C)C)c1 ZINC000649635945 398016635 /nfs/dbraw/zinc/01/66/35/398016635.db2.gz GQNMQIDAEXICCM-UHFFFAOYSA-N 0 3 236.359 3.099 20 0 BGADHN CCNC1(c2ccccc2Cl)CCC1 ZINC000649643347 398018369 /nfs/dbraw/zinc/01/83/69/398018369.db2.gz IMINCWHGXMFQFW-UHFFFAOYSA-N 0 3 209.720 3.329 20 0 BGADHN CCOCCNC1(c2ccccc2C)CCC1 ZINC000649644452 398019236 /nfs/dbraw/zinc/01/92/36/398019236.db2.gz CDVWYWGOMWWZBE-UHFFFAOYSA-N 0 3 233.355 3.000 20 0 BGADHN Cc1ccccc1C1(NCCOC(C)C)CCC1 ZINC000649644811 398019150 /nfs/dbraw/zinc/01/91/50/398019150.db2.gz TWBPZESALLUUAJ-UHFFFAOYSA-N 0 3 247.382 3.389 20 0 BGADHN COc1ccc(CN2CCC23CCCC3)cc1F ZINC000649655450 642685120 /nfs/dbraw/zinc/68/51/20/642685120.db2.gz BQRFINXKJWJQFM-UHFFFAOYSA-N 0 3 249.329 3.353 20 0 BGADHN Fc1ccc(CN2CCC23CCCC3)cc1 ZINC000649655678 490198894 /nfs/dbraw/zinc/19/88/94/490198894.db2.gz LDSQSHGFTUTVAR-UHFFFAOYSA-N 0 3 219.303 3.344 20 0 BGADHN Fc1ccc(OCCN2CCC23CCCC3)cc1 ZINC000649655833 398024252 /nfs/dbraw/zinc/02/42/52/398024252.db2.gz SEPDWTBRSZUWMF-UHFFFAOYSA-N 0 3 249.329 3.223 20 0 BGADHN Fc1cccc(CN2CCC23CCCC3)c1 ZINC000649655834 398024557 /nfs/dbraw/zinc/02/45/57/398024557.db2.gz SFMWAZIRLBQKLC-UHFFFAOYSA-N 0 3 219.303 3.344 20 0 BGADHN Fc1ccccc1OCCN1CCC12CCCC2 ZINC000649655835 398024508 /nfs/dbraw/zinc/02/45/08/398024508.db2.gz SFYYXJPIMSQJNI-UHFFFAOYSA-N 0 3 249.329 3.223 20 0 BGADHN Fc1ccccc1CN1CCC12CCCC2 ZINC000649655866 398024152 /nfs/dbraw/zinc/02/41/52/398024152.db2.gz TWTHNHRDJZSSML-UHFFFAOYSA-N 0 3 219.303 3.344 20 0 BGADHN Cc1nc(C)c(CN2CCC23CCCC3)s1 ZINC000649656432 398026757 /nfs/dbraw/zinc/02/67/57/398026757.db2.gz NABNFBRLBBPFCK-UHFFFAOYSA-N 0 3 236.384 3.278 20 0 BGADHN CCc1noc(C)c1CN1CCC12CCCC2 ZINC000649656806 398026727 /nfs/dbraw/zinc/02/67/27/398026727.db2.gz AXZOARBBYMFGCF-UHFFFAOYSA-N 0 3 234.343 3.064 20 0 BGADHN Cc1nc(CCN2CCC23CCCC3)cs1 ZINC000649657662 398025797 /nfs/dbraw/zinc/02/57/97/398025797.db2.gz IRIPTQRZYSBADO-UHFFFAOYSA-N 0 3 236.384 3.013 20 0 BGADHN O=C(CCN1CCC12CCCC2)c1ccccc1 ZINC000649657938 398025190 /nfs/dbraw/zinc/02/51/90/398025190.db2.gz RVDDCWAEVDMAHT-UHFFFAOYSA-N 0 3 243.350 3.278 20 0 BGADHN Fc1ccccc1CCN1CCC12CCCC2 ZINC000649658032 398025870 /nfs/dbraw/zinc/02/58/70/398025870.db2.gz VUVRRHVAJUPIBZ-UHFFFAOYSA-N 0 3 233.330 3.387 20 0 BGADHN Cc1ccc(CN2CCC23CCCC3)c(C)n1 ZINC000649658086 398026174 /nfs/dbraw/zinc/02/61/74/398026174.db2.gz XNNFEMSBCVESDF-UHFFFAOYSA-N 0 3 230.355 3.217 20 0 BGADHN CC(=O)c1cccc(CN2CCC23CCCC3)c1 ZINC000649658280 398027038 /nfs/dbraw/zinc/02/70/38/398027038.db2.gz FVBRDQOUDAFPPZ-UHFFFAOYSA-N 0 3 243.350 3.408 20 0 BGADHN CCCc1nc(C)c(CN2CCC23CCCC3)o1 ZINC000649658289 398026798 /nfs/dbraw/zinc/02/67/98/398026798.db2.gz GCGGKJFFLRZWHL-UHFFFAOYSA-N 0 3 248.370 3.454 20 0 BGADHN CCc1nc(C)c(CN2CCC23CCCC3)o1 ZINC000649658316 398026833 /nfs/dbraw/zinc/02/68/33/398026833.db2.gz GWVJNWCUVCPLSA-UHFFFAOYSA-N 0 3 234.343 3.064 20 0 BGADHN CCc1ccc(CN2CCC23CCCC3)nc1 ZINC000649658484 398028029 /nfs/dbraw/zinc/02/80/29/398028029.db2.gz MOVPFEBYIWZDND-UHFFFAOYSA-N 0 3 230.355 3.163 20 0 BGADHN C[C@]1(c2cccc(F)c2)CCN(CCCF)C1 ZINC000649663525 411292533 /nfs/dbraw/zinc/29/25/33/411292533.db2.gz ILWZFSJSRDDHHC-AWEZNQCLSA-N 0 3 239.309 3.149 20 0 BGADHN C[C@@]1(c2cccc(F)c2)CCN(CCCF)C1 ZINC000649663526 411292187 /nfs/dbraw/zinc/29/21/87/411292187.db2.gz ILWZFSJSRDDHHC-CQSZACIVSA-N 0 3 239.309 3.149 20 0 BGADHN CC(C)N1CC[C@](C)(c2cccc(F)c2)C1 ZINC000649663726 411292073 /nfs/dbraw/zinc/29/20/73/411292073.db2.gz NECYOHCBIDMMLF-AWEZNQCLSA-N 0 3 221.319 3.198 20 0 BGADHN CC(C)N1CC[C@@](C)(c2cccc(F)c2)C1 ZINC000649663727 411292247 /nfs/dbraw/zinc/29/22/47/411292247.db2.gz NECYOHCBIDMMLF-CQSZACIVSA-N 0 3 221.319 3.198 20 0 BGADHN CCN1CCc2oc(-c3ccccc3)cc2C1 ZINC000649676674 398034840 /nfs/dbraw/zinc/03/48/40/398034840.db2.gz RGQXYDOHQWTRQN-UHFFFAOYSA-N 0 3 227.307 3.325 20 0 BGADHN CCC[C@H](N[C@@H]1C[C@H](C)O[C@@H]1C)c1ccccn1 ZINC000649695565 398043951 /nfs/dbraw/zinc/04/39/51/398043951.db2.gz FQCAZHDFXOJFHY-MYZSUADSSA-N 0 3 248.370 3.078 20 0 BGADHN CCC[C@H](N[C@@H]1C[C@H](C)O[C@H]1C)c1ccccn1 ZINC000649695566 398044019 /nfs/dbraw/zinc/04/40/19/398044019.db2.gz FQCAZHDFXOJFHY-NZBPQXDJSA-N 0 3 248.370 3.078 20 0 BGADHN CCC[C@H](N[C@@H]1C[C@@H](C)O[C@H]1C)c1ccccn1 ZINC000649695567 398043940 /nfs/dbraw/zinc/04/39/40/398043940.db2.gz FQCAZHDFXOJFHY-PAPYEOQZSA-N 0 3 248.370 3.078 20 0 BGADHN CCC[C@H](N[C@@H]1C[C@@H](C)O[C@@H]1C)c1ccccn1 ZINC000649695568 398043640 /nfs/dbraw/zinc/04/36/40/398043640.db2.gz FQCAZHDFXOJFHY-RJZRQDKASA-N 0 3 248.370 3.078 20 0 BGADHN Cc1ccc(CN2CCC[C@H](OC(C)C)C2)cc1 ZINC000649697576 398047338 /nfs/dbraw/zinc/04/73/38/398047338.db2.gz KYFKUMVBOVPIPY-INIZCTEOSA-N 0 3 247.382 3.384 20 0 BGADHN Cc1ccc(CN2CCC[C@@H](OC(C)C)C2)cc1 ZINC000649697577 398047252 /nfs/dbraw/zinc/04/72/52/398047252.db2.gz KYFKUMVBOVPIPY-MRXNPFEDSA-N 0 3 247.382 3.384 20 0 BGADHN Cc1cccc(CN2CCC[C@H](OC(C)C)C2)c1 ZINC000649698163 398046818 /nfs/dbraw/zinc/04/68/18/398046818.db2.gz UCZDVZLHASUXGA-INIZCTEOSA-N 0 3 247.382 3.384 20 0 BGADHN Cc1cccc(CN2CCC[C@@H](OC(C)C)C2)c1 ZINC000649698164 398047202 /nfs/dbraw/zinc/04/72/02/398047202.db2.gz UCZDVZLHASUXGA-MRXNPFEDSA-N 0 3 247.382 3.384 20 0 BGADHN CC(C)O[C@H]1CCCN(Cc2ccccc2)C1 ZINC000649698334 398046973 /nfs/dbraw/zinc/04/69/73/398046973.db2.gz WZJLFFSQMZGGHF-HNNXBMFYSA-N 0 3 233.355 3.076 20 0 BGADHN CC(C)O[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000649698335 398046645 /nfs/dbraw/zinc/04/66/45/398046645.db2.gz WZJLFFSQMZGGHF-OAHLLOKOSA-N 0 3 233.355 3.076 20 0 BGADHN CC(C)O[C@@H]1CCCN([C@@H](C)c2cccnc2)C1 ZINC000649700434 398047746 /nfs/dbraw/zinc/04/77/46/398047746.db2.gz DGJCVCWSOMVLHI-DZGCQCFKSA-N 0 3 248.370 3.032 20 0 BGADHN CC(C)O[C@H]1CCCN([C@H](C)c2cccnc2)C1 ZINC000649700435 398048015 /nfs/dbraw/zinc/04/80/15/398048015.db2.gz DGJCVCWSOMVLHI-HIFRSBDPSA-N 0 3 248.370 3.032 20 0 BGADHN CC(C)O[C@@H]1CCCN([C@H](C)c2cccnc2)C1 ZINC000649700436 398048186 /nfs/dbraw/zinc/04/81/86/398048186.db2.gz DGJCVCWSOMVLHI-UKRRQHHQSA-N 0 3 248.370 3.032 20 0 BGADHN CC(C)O[C@H]1CCCN([C@@H](C)c2cccnc2)C1 ZINC000649700437 398047792 /nfs/dbraw/zinc/04/77/92/398047792.db2.gz DGJCVCWSOMVLHI-ZFWWWQNUSA-N 0 3 248.370 3.032 20 0 BGADHN CC(C)O[C@@H]1CCCN([C@@H](C)c2ccncc2)C1 ZINC000649701223 398050104 /nfs/dbraw/zinc/05/01/04/398050104.db2.gz YJMARLKSJLUVGM-DZGCQCFKSA-N 0 3 248.370 3.032 20 0 BGADHN CC(C)O[C@H]1CCCN([C@H](C)c2ccncc2)C1 ZINC000649701224 398049856 /nfs/dbraw/zinc/04/98/56/398049856.db2.gz YJMARLKSJLUVGM-HIFRSBDPSA-N 0 3 248.370 3.032 20 0 BGADHN CC(C)O[C@@H]1CCCN([C@H](C)c2ccncc2)C1 ZINC000649701225 398050060 /nfs/dbraw/zinc/05/00/60/398050060.db2.gz YJMARLKSJLUVGM-UKRRQHHQSA-N 0 3 248.370 3.032 20 0 BGADHN CC(C)O[C@H]1CCCN([C@@H](C)c2ccncc2)C1 ZINC000649701226 398049974 /nfs/dbraw/zinc/04/99/74/398049974.db2.gz YJMARLKSJLUVGM-ZFWWWQNUSA-N 0 3 248.370 3.032 20 0 BGADHN CC(C)O[C@@H]1CCCN(Cc2cccs2)C1 ZINC000649702557 398049990 /nfs/dbraw/zinc/04/99/90/398049990.db2.gz HDDNELZTDKKZJI-GFCCVEGCSA-N 0 3 239.384 3.138 20 0 BGADHN CC(C)O[C@H]1CCCN(Cc2cccs2)C1 ZINC000649702558 398049578 /nfs/dbraw/zinc/04/95/78/398049578.db2.gz HDDNELZTDKKZJI-LBPRGKRZSA-N 0 3 239.384 3.138 20 0 BGADHN CC(C)O[C@H]1CCCN([C@@H](C)c2ccccn2)C1 ZINC000649703267 398051218 /nfs/dbraw/zinc/05/12/18/398051218.db2.gz YWCJXOUGXHASGL-KBPBESRZSA-N 0 3 248.370 3.032 20 0 BGADHN CC(C)O[C@H]1CCCN([C@H](C)c2ccccn2)C1 ZINC000649703268 398051359 /nfs/dbraw/zinc/05/13/59/398051359.db2.gz YWCJXOUGXHASGL-KGLIPLIRSA-N 0 3 248.370 3.032 20 0 BGADHN CC(C)O[C@@H]1CCCN([C@@H](C)c2ccccn2)C1 ZINC000649703269 398051262 /nfs/dbraw/zinc/05/12/62/398051262.db2.gz YWCJXOUGXHASGL-UONOGXRCSA-N 0 3 248.370 3.032 20 0 BGADHN CC(C)O[C@@H]1CCCN([C@H](C)c2ccccn2)C1 ZINC000649703270 398051302 /nfs/dbraw/zinc/05/13/02/398051302.db2.gz YWCJXOUGXHASGL-ZIAGYGMSSA-N 0 3 248.370 3.032 20 0 BGADHN CC[C@H]1COC(C)(C)CN1Cc1ccccc1 ZINC000649714430 398055528 /nfs/dbraw/zinc/05/55/28/398055528.db2.gz BWDUSUHCCQJHKS-AWEZNQCLSA-N 0 3 233.355 3.076 20 0 BGADHN CC[C@@H]1COC(C)(C)CN1Cc1ccccc1 ZINC000649714431 398055618 /nfs/dbraw/zinc/05/56/18/398055618.db2.gz BWDUSUHCCQJHKS-CQSZACIVSA-N 0 3 233.355 3.076 20 0 BGADHN CC[C@@H]1COC(C)(C)CN1CCCCCF ZINC000649717934 398058804 /nfs/dbraw/zinc/05/88/04/398058804.db2.gz PKUPLOINTHDYEC-GFCCVEGCSA-N 0 3 231.355 3.016 20 0 BGADHN CC[C@H]1COC(C)(C)CN1CCCCCF ZINC000649717935 398059215 /nfs/dbraw/zinc/05/92/15/398059215.db2.gz PKUPLOINTHDYEC-LBPRGKRZSA-N 0 3 231.355 3.016 20 0 BGADHN CC[C@@H]1CN(CCCCCF)[C@H](CC)CO1 ZINC000649719689 398062551 /nfs/dbraw/zinc/06/25/51/398062551.db2.gz VQOONKBYEUNORW-CHWSQXEVSA-N 0 3 231.355 3.016 20 0 BGADHN CC[C@@H]1CO[C@@H](CC)CN1CCCCCF ZINC000649719690 398062450 /nfs/dbraw/zinc/06/24/50/398062450.db2.gz VQOONKBYEUNORW-OLZOCXBDSA-N 0 3 231.355 3.016 20 0 BGADHN CC[C@@H]1CN(CCCCCF)[C@@H](CC)CO1 ZINC000649719691 398062464 /nfs/dbraw/zinc/06/24/64/398062464.db2.gz VQOONKBYEUNORW-QWHCGFSZSA-N 0 3 231.355 3.016 20 0 BGADHN CC[C@H]1CN(CCCCCF)[C@@H](CC)CO1 ZINC000649719692 398062395 /nfs/dbraw/zinc/06/23/95/398062395.db2.gz VQOONKBYEUNORW-STQMWFEESA-N 0 3 231.355 3.016 20 0 BGADHN CC[C@@H]1CO[C@@H](CC)CN1Cc1ccccc1 ZINC000649721653 398064914 /nfs/dbraw/zinc/06/49/14/398064914.db2.gz AFJGVDZBWUEPDC-CABCVRRESA-N 0 3 233.355 3.076 20 0 BGADHN CC[C@H]1CN(Cc2ccccc2)[C@@H](CC)CO1 ZINC000649721654 398064442 /nfs/dbraw/zinc/06/44/42/398064442.db2.gz AFJGVDZBWUEPDC-GJZGRUSLSA-N 0 3 233.355 3.076 20 0 BGADHN CC[C@@H]1CN(Cc2ccccc2)[C@H](CC)CO1 ZINC000649721655 398064948 /nfs/dbraw/zinc/06/49/48/398064948.db2.gz AFJGVDZBWUEPDC-HUUCEWRRSA-N 0 3 233.355 3.076 20 0 BGADHN CC[C@@H]1CN(Cc2ccccc2)[C@@H](CC)CO1 ZINC000649721656 398064476 /nfs/dbraw/zinc/06/44/76/398064476.db2.gz AFJGVDZBWUEPDC-LSDHHAIUSA-N 0 3 233.355 3.076 20 0 BGADHN CCN(C/C=C\c1ccccc1)[C@@H]1CCCOC1 ZINC000649759713 398089112 /nfs/dbraw/zinc/08/91/12/398089112.db2.gz STQYRZDCMBANLL-CXSQMQJXSA-N 0 3 245.366 3.201 20 0 BGADHN CCN(C/C=C/c1ccccc1)[C@H]1CCCOC1 ZINC000649759714 398089539 /nfs/dbraw/zinc/08/95/39/398089539.db2.gz STQYRZDCMBANLL-DHINHOHASA-N 0 3 245.366 3.201 20 0 BGADHN CCN(C/C=C\c1ccccc1)[C@H]1CCCOC1 ZINC000649759715 398089807 /nfs/dbraw/zinc/08/98/07/398089807.db2.gz STQYRZDCMBANLL-DIEDAUMRSA-N 0 3 245.366 3.201 20 0 BGADHN CCN(C/C=C/c1ccccc1)[C@@H]1CCCOC1 ZINC000649759716 398089086 /nfs/dbraw/zinc/08/90/86/398089086.db2.gz STQYRZDCMBANLL-VGZDNEPHSA-N 0 3 245.366 3.201 20 0 BGADHN FC1(F)CC12CCN(CC1=CCCC1)CC2 ZINC000649773351 398095709 /nfs/dbraw/zinc/09/57/09/398095709.db2.gz OWURSOVHKCFGSG-UHFFFAOYSA-N 0 3 227.298 3.218 20 0 BGADHN FC1(F)CC12CCN(Cc1cccs1)CC2 ZINC000649774126 398097368 /nfs/dbraw/zinc/09/73/68/398097368.db2.gz STLNIFQBQWAXQC-UHFFFAOYSA-N 0 3 243.322 3.369 20 0 BGADHN FC1(F)CC12CCN([C@@H]1C=CCCC1)CC2 ZINC000649776295 398097966 /nfs/dbraw/zinc/09/79/66/398097966.db2.gz JZHHKTPPAMVBKL-LLVKDONJSA-N 0 3 227.298 3.216 20 0 BGADHN FC1(F)CC12CCN([C@H]1C=CCCC1)CC2 ZINC000649776296 398098151 /nfs/dbraw/zinc/09/81/51/398098151.db2.gz JZHHKTPPAMVBKL-NSHDSACASA-N 0 3 227.298 3.216 20 0 BGADHN Fc1cccc(CNC2(C3CCC3)CC2)c1F ZINC000649805902 398113497 /nfs/dbraw/zinc/11/34/97/398113497.db2.gz GNTQYCMCSQQUCD-UHFFFAOYSA-N 0 3 237.293 3.387 20 0 BGADHN Fc1ccccc1CNC1(C2CCC2)CC1 ZINC000649806077 398113537 /nfs/dbraw/zinc/11/35/37/398113537.db2.gz LDJMUFAQSOFHQF-UHFFFAOYSA-N 0 3 219.303 3.248 20 0 BGADHN COc1ccc(C)cc1CNC1(C2CCC2)CC1 ZINC000649807058 398114490 /nfs/dbraw/zinc/11/44/90/398114490.db2.gz JYFMEZNQCXMRBP-UHFFFAOYSA-N 0 3 245.366 3.426 20 0 BGADHN COc1ccc(F)cc1CNC1(C2CCC2)CC1 ZINC000649807509 398114540 /nfs/dbraw/zinc/11/45/40/398114540.db2.gz WKBDALDEDFCZGO-UHFFFAOYSA-N 0 3 249.329 3.257 20 0 BGADHN c1ccc2oc(CNC3(C4CCC4)CC3)nc2c1 ZINC000649807513 398114494 /nfs/dbraw/zinc/11/44/94/398114494.db2.gz WNDAPVYMQKKREA-UHFFFAOYSA-N 0 3 242.322 3.250 20 0 BGADHN Fc1ccc(F)c(CNC2(C3CCC3)CC2)c1 ZINC000649808112 398112638 /nfs/dbraw/zinc/11/26/38/398112638.db2.gz RJNGEEIDGTXJHE-UHFFFAOYSA-N 0 3 237.293 3.387 20 0 BGADHN Fc1ccc(CNC2(C3CCC3)CC2)c(F)c1 ZINC000649808749 398115006 /nfs/dbraw/zinc/11/50/06/398115006.db2.gz OLZVTQXMRYJQSH-UHFFFAOYSA-N 0 3 237.293 3.387 20 0 BGADHN Clc1cnccc1CNC1(C2CCC2)CC1 ZINC000649808834 398115152 /nfs/dbraw/zinc/11/51/52/398115152.db2.gz RPCZAYFQYTUZLD-UHFFFAOYSA-N 0 3 236.746 3.157 20 0 BGADHN Cc1nc(CNC2(C3CCC3)CC2)sc1C ZINC000649808951 398115091 /nfs/dbraw/zinc/11/50/91/398115091.db2.gz XCNNVDAGKRMKML-UHFFFAOYSA-N 0 3 236.384 3.182 20 0 BGADHN Fc1cccc(F)c1CNC1(C2CCC2)CC1 ZINC000649810300 398116794 /nfs/dbraw/zinc/11/67/94/398116794.db2.gz DGMOUHRIAYYQLE-UHFFFAOYSA-N 0 3 237.293 3.387 20 0 BGADHN C[C@@H](NC1(C2CCC2)CC1)c1ccccn1 ZINC000649810309 398117039 /nfs/dbraw/zinc/11/70/39/398117039.db2.gz DVAQMGMOXBPFSU-LLVKDONJSA-N 0 3 216.328 3.065 20 0 BGADHN C[C@H](NC1(C2CCC2)CC1)c1ccccn1 ZINC000649810310 398116840 /nfs/dbraw/zinc/11/68/40/398116840.db2.gz DVAQMGMOXBPFSU-NSHDSACASA-N 0 3 216.328 3.065 20 0 BGADHN Fc1cc(F)cc(CNC2(C3CCC3)CC2)c1 ZINC000649810769 398117729 /nfs/dbraw/zinc/11/77/29/398117729.db2.gz YRUCGTMXZWIXJR-UHFFFAOYSA-N 0 3 237.293 3.387 20 0 BGADHN Clc1ccc(CNC2(C3CCC3)CC2)nc1 ZINC000649810791 398118110 /nfs/dbraw/zinc/11/81/10/398118110.db2.gz ZHSJYRXOMSNRAZ-UHFFFAOYSA-N 0 3 236.746 3.157 20 0 BGADHN CCc1ccc(CNC2(C3CCC3)CC2)nc1 ZINC000649811330 398118848 /nfs/dbraw/zinc/11/88/48/398118848.db2.gz MXYSNUHYUGDOHH-UHFFFAOYSA-N 0 3 230.355 3.066 20 0 BGADHN CCCc1nc(C)c(CNC2(C3CCC3)CC2)o1 ZINC000649811675 398119479 /nfs/dbraw/zinc/11/94/79/398119479.db2.gz ZWRQDJBECBXLCF-UHFFFAOYSA-N 0 3 248.370 3.358 20 0 BGADHN CCn1cc(CN(CCC(C)C)C(C)C)cn1 ZINC000649811857 398119714 /nfs/dbraw/zinc/11/97/14/398119714.db2.gz ACWUADDAEHYUBW-UHFFFAOYSA-N 0 3 237.391 3.160 20 0 BGADHN CCn1cc(CN(CC=C(C)C)C(C)C)cn1 ZINC000649812413 398120526 /nfs/dbraw/zinc/12/05/26/398120526.db2.gz VEKALOFPVZPKQS-UHFFFAOYSA-N 0 3 235.375 3.080 20 0 BGADHN CCn1cc(CN(C(C)C)[C@H]2C=CCCC2)cn1 ZINC000649812788 398119220 /nfs/dbraw/zinc/11/92/20/398119220.db2.gz HVPASXVXKBVPHP-HNNXBMFYSA-N 0 3 247.386 3.222 20 0 BGADHN CCn1cc(CN(C(C)C)[C@@H]2C=CCCC2)cn1 ZINC000649812789 398118771 /nfs/dbraw/zinc/11/87/71/398118771.db2.gz HVPASXVXKBVPHP-OAHLLOKOSA-N 0 3 247.386 3.222 20 0 BGADHN CC/C=C/CCN(Cc1cnn(CC)c1)C(C)C ZINC000649814475 398119954 /nfs/dbraw/zinc/11/99/54/398119954.db2.gz QJJYIOHVGYKEAS-BQYQJAHWSA-N 0 3 249.402 3.470 20 0 BGADHN CC/C=C\CCN(Cc1cnn(CC)c1)C(C)C ZINC000649814476 398119725 /nfs/dbraw/zinc/11/97/25/398119725.db2.gz QJJYIOHVGYKEAS-FPLPWBNLSA-N 0 3 249.402 3.470 20 0 BGADHN CCn1cc(CN(CC2(C)CCC2)C(C)C)cn1 ZINC000649814635 398119604 /nfs/dbraw/zinc/11/96/04/398119604.db2.gz XQEWYKKWUFWQIK-UHFFFAOYSA-N 0 3 249.402 3.304 20 0 BGADHN CCn1cc(CN(CC2=CCCC2)C(C)C)cn1 ZINC000649815211 398120539 /nfs/dbraw/zinc/12/05/39/398120539.db2.gz WCOLWTKMNRWTDD-UHFFFAOYSA-N 0 3 247.386 3.224 20 0 BGADHN COCCN(C)Cc1oc2c(cccc2C)c1C ZINC000649819233 398121610 /nfs/dbraw/zinc/12/16/10/398121610.db2.gz PTBKDMKIOCXSIY-UHFFFAOYSA-N 0 3 247.338 3.128 20 0 BGADHN CCC1(NCc2noc3c2CCCC3)CCCC1 ZINC000649825037 398127928 /nfs/dbraw/zinc/12/79/28/398127928.db2.gz OHCZDBQJMSRGKF-UHFFFAOYSA-N 0 3 248.370 3.366 20 0 BGADHN CCC1(NCc2oc(C)nc2C)CCCC1 ZINC000649825372 398128032 /nfs/dbraw/zinc/12/80/32/398128032.db2.gz HMFCGBGGVZWXKU-UHFFFAOYSA-N 0 3 222.332 3.104 20 0 BGADHN Cc1cccc(CN2C[C@H](C)OCC23CCC3)c1 ZINC000649826476 398126863 /nfs/dbraw/zinc/12/68/63/398126863.db2.gz VDLIYYDHPPOZEO-AWEZNQCLSA-N 0 3 245.366 3.138 20 0 BGADHN Cc1cccc(CN2C[C@@H](C)OCC23CCC3)c1 ZINC000649826477 398127174 /nfs/dbraw/zinc/12/71/74/398127174.db2.gz VDLIYYDHPPOZEO-CQSZACIVSA-N 0 3 245.366 3.138 20 0 BGADHN Cc1ccccc1CN1C[C@H](C)OCC12CCC2 ZINC000649826484 398127254 /nfs/dbraw/zinc/12/72/54/398127254.db2.gz VJIXAOKSZLUKPE-AWEZNQCLSA-N 0 3 245.366 3.138 20 0 BGADHN Cc1ccccc1CN1C[C@@H](C)OCC12CCC2 ZINC000649826485 398126980 /nfs/dbraw/zinc/12/69/80/398126980.db2.gz VJIXAOKSZLUKPE-CQSZACIVSA-N 0 3 245.366 3.138 20 0 BGADHN CC(C)OCCN1CCc2ccccc2[C@@H](C)C1 ZINC000649833588 398131453 /nfs/dbraw/zinc/13/14/53/398131453.db2.gz QVCOTMJLXNSRGO-AWEZNQCLSA-N 0 3 247.382 3.073 20 0 BGADHN CC(C)OCCN1CCc2ccccc2[C@H](C)C1 ZINC000649833589 398131386 /nfs/dbraw/zinc/13/13/86/398131386.db2.gz QVCOTMJLXNSRGO-CQSZACIVSA-N 0 3 247.382 3.073 20 0 BGADHN CC[C@H](CN1CCc2ccccc2[C@@H](C)C1)OC ZINC000649836008 398133568 /nfs/dbraw/zinc/13/35/68/398133568.db2.gz YAAMMOBJJQKRCZ-DZGCQCFKSA-N 0 3 247.382 3.073 20 0 BGADHN CC[C@@H](CN1CCc2ccccc2[C@H](C)C1)OC ZINC000649836009 398133529 /nfs/dbraw/zinc/13/35/29/398133529.db2.gz YAAMMOBJJQKRCZ-HIFRSBDPSA-N 0 3 247.382 3.073 20 0 BGADHN CC[C@H](CN1CCc2ccccc2[C@H](C)C1)OC ZINC000649836010 398133773 /nfs/dbraw/zinc/13/37/73/398133773.db2.gz YAAMMOBJJQKRCZ-UKRRQHHQSA-N 0 3 247.382 3.073 20 0 BGADHN CC[C@@H](CN1CCc2ccccc2[C@@H](C)C1)OC ZINC000649836011 398133874 /nfs/dbraw/zinc/13/38/74/398133874.db2.gz YAAMMOBJJQKRCZ-ZFWWWQNUSA-N 0 3 247.382 3.073 20 0 BGADHN CCOc1ccc(CN[C@H](C)C(C)(C)C)nc1 ZINC000649861026 398144581 /nfs/dbraw/zinc/14/45/81/398144581.db2.gz FYYDYVFABGMGNU-LLVKDONJSA-N 0 3 236.359 3.005 20 0 BGADHN Fc1ccccc1CN1CC[C@@]2(CC2(F)F)C1 ZINC000649899275 398169396 /nfs/dbraw/zinc/16/93/96/398169396.db2.gz CCZQIMDZEWGIJW-GFCCVEGCSA-N 0 3 241.256 3.057 20 0 BGADHN Fc1ccccc1CN1CC[C@]2(CC2(F)F)C1 ZINC000649899276 398169716 /nfs/dbraw/zinc/16/97/16/398169716.db2.gz CCZQIMDZEWGIJW-LBPRGKRZSA-N 0 3 241.256 3.057 20 0 BGADHN Fc1cccc(CN2CC[C@@]3(CC3(F)F)C2)c1 ZINC000649899876 398170374 /nfs/dbraw/zinc/17/03/74/398170374.db2.gz PDSROZDHAHJDNR-GFCCVEGCSA-N 0 3 241.256 3.057 20 0 BGADHN Fc1cccc(CN2CC[C@]3(CC3(F)F)C2)c1 ZINC000649899877 398170328 /nfs/dbraw/zinc/17/03/28/398170328.db2.gz PDSROZDHAHJDNR-LBPRGKRZSA-N 0 3 241.256 3.057 20 0 BGADHN Cc1ccc(CN(C)CCC2CCCC2)nc1 ZINC000649900652 398170411 /nfs/dbraw/zinc/17/04/11/398170411.db2.gz PFCVCZSZMDRDMA-UHFFFAOYSA-N 0 3 232.371 3.402 20 0 BGADHN CCCCCN(C)Cc1ccc(C)cn1 ZINC000649900681 398170360 /nfs/dbraw/zinc/17/03/60/398170360.db2.gz QVINOJYHFBAQRI-UHFFFAOYSA-N 0 3 206.333 3.012 20 0 BGADHN FC1(F)C[C@@]12CCN(C/C=C/c1ccccc1)C2 ZINC000649900936 398169335 /nfs/dbraw/zinc/16/93/35/398169335.db2.gz CCLATZJHWSOYBP-BTKRWWFXSA-N 0 3 249.304 3.431 20 0 BGADHN FC1(F)C[C@]12CCN(C/C=C/c1ccccc1)C2 ZINC000649900937 398169194 /nfs/dbraw/zinc/16/91/94/398169194.db2.gz CCLATZJHWSOYBP-GBXSZLQWSA-N 0 3 249.304 3.431 20 0 BGADHN FC1(F)C[C@@]12CCN(C/C=C\c1ccccc1)C2 ZINC000649900938 398169804 /nfs/dbraw/zinc/16/98/04/398169804.db2.gz CCLATZJHWSOYBP-HJHHMULASA-N 0 3 249.304 3.431 20 0 BGADHN FC1(F)C[C@]12CCN(C/C=C\c1ccccc1)C2 ZINC000649900939 398169615 /nfs/dbraw/zinc/16/96/15/398169615.db2.gz CCLATZJHWSOYBP-ZBKLQPJUSA-N 0 3 249.304 3.431 20 0 BGADHN Fc1ccc(CN2CC[C@@]3(CC3(F)F)C2)cc1 ZINC000649901058 398170601 /nfs/dbraw/zinc/17/06/01/398170601.db2.gz FOEZKWSFHSATKL-GFCCVEGCSA-N 0 3 241.256 3.057 20 0 BGADHN Fc1ccc(CN2CC[C@]3(CC3(F)F)C2)cc1 ZINC000649901059 398170348 /nfs/dbraw/zinc/17/03/48/398170348.db2.gz FOEZKWSFHSATKL-LBPRGKRZSA-N 0 3 241.256 3.057 20 0 BGADHN Cc1ccc(CN2CC[C@@]3(CC3(F)F)C2)cc1 ZINC000649901480 398170695 /nfs/dbraw/zinc/17/06/95/398170695.db2.gz MXSGUUOZVOZQRZ-CYBMUJFWSA-N 0 3 237.293 3.226 20 0 BGADHN Cc1ccc(CN2CC[C@]3(CC3(F)F)C2)cc1 ZINC000649901481 398170982 /nfs/dbraw/zinc/17/09/82/398170982.db2.gz MXSGUUOZVOZQRZ-ZDUSSCGKSA-N 0 3 237.293 3.226 20 0 BGADHN CC/C=C/CCN(C)Cc1ccc(C)cn1 ZINC000649903420 398173655 /nfs/dbraw/zinc/17/36/55/398173655.db2.gz ZMODWIBGZMCREF-AATRIKPKSA-N 0 3 218.344 3.178 20 0 BGADHN CC/C=C\CCN(C)Cc1ccc(C)cn1 ZINC000649903426 398173685 /nfs/dbraw/zinc/17/36/85/398173685.db2.gz ZMODWIBGZMCREF-WAYWQWQTSA-N 0 3 218.344 3.178 20 0 BGADHN Cc1ccc(CN(C)CC23CCC(CC2)C3)nc1 ZINC000649904192 398177429 /nfs/dbraw/zinc/17/74/29/398177429.db2.gz NRJUKLJSKRIZAK-UHFFFAOYSA-N 0 3 244.382 3.402 20 0 BGADHN CCN1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000649918187 398188152 /nfs/dbraw/zinc/18/81/52/398188152.db2.gz PSJBZIUQAQZRRZ-KKUMJFAQSA-N 0 3 231.339 3.001 20 0 BGADHN CCCN1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000649918351 398188201 /nfs/dbraw/zinc/18/82/01/398188201.db2.gz WOURCCXBKPIKGM-JYJNAYRXSA-N 0 3 245.366 3.391 20 0 BGADHN CCC[C@@H](C)N1CCc2cccc(OC)c2C1 ZINC000650109826 397932279 /nfs/dbraw/zinc/93/22/79/397932279.db2.gz PQBHMSLDXOSHCI-GFCCVEGCSA-N 0 3 233.355 3.242 20 0 BGADHN CCC[C@H](C)N1CCc2cccc(OC)c2C1 ZINC000650109827 397932533 /nfs/dbraw/zinc/93/25/33/397932533.db2.gz PQBHMSLDXOSHCI-LBPRGKRZSA-N 0 3 233.355 3.242 20 0 BGADHN C[C@H](COCC1CC1)N[C@H](C)c1ccccc1 ZINC000650134760 397939859 /nfs/dbraw/zinc/93/98/59/397939859.db2.gz FXEZPFZLEGHIDA-CHWSQXEVSA-N 0 3 233.355 3.152 20 0 BGADHN C[C@H](COCC1CC1)N[C@@H](C)c1ccccc1 ZINC000650134761 397939586 /nfs/dbraw/zinc/93/95/86/397939586.db2.gz FXEZPFZLEGHIDA-OLZOCXBDSA-N 0 3 233.355 3.152 20 0 BGADHN C[C@@H](N[C@@H](C)COCC1CC1)c1ccccc1 ZINC000650134762 397939919 /nfs/dbraw/zinc/93/99/19/397939919.db2.gz FXEZPFZLEGHIDA-QWHCGFSZSA-N 0 3 233.355 3.152 20 0 BGADHN C[C@@H](COCC1CC1)N[C@@H](C)c1ccccc1 ZINC000650134763 397939456 /nfs/dbraw/zinc/93/94/56/397939456.db2.gz FXEZPFZLEGHIDA-STQMWFEESA-N 0 3 233.355 3.152 20 0 BGADHN CC[C@@H]1CC[C@H](C)N(Cc2oc(C)nc2C)C1 ZINC000650246538 398007326 /nfs/dbraw/zinc/00/73/26/398007326.db2.gz GNIHLDQXIHENHF-GXFFZTMASA-N 0 3 236.359 3.302 20 0 BGADHN CCOc1ccc(CN2[C@H](C)CCC2(C)C)nc1 ZINC000650287008 398063035 /nfs/dbraw/zinc/06/30/35/398063035.db2.gz BNODFVBIDUVLDX-GFCCVEGCSA-N 0 3 248.370 3.243 20 0 BGADHN CCOc1ccc(CN2[C@@H](C)CCC2(C)C)nc1 ZINC000650287009 398063098 /nfs/dbraw/zinc/06/30/98/398063098.db2.gz BNODFVBIDUVLDX-LBPRGKRZSA-N 0 3 248.370 3.243 20 0 BGADHN C[C@@H]1CCC(C)(C)N1Cc1noc2c1CCCC2 ZINC000650287014 398063059 /nfs/dbraw/zinc/06/30/59/398063059.db2.gz CXGJNPPGFBAGPM-LLVKDONJSA-N 0 3 248.370 3.316 20 0 BGADHN C[C@H]1CCC(C)(C)N1Cc1noc2c1CCCC2 ZINC000650287015 398063259 /nfs/dbraw/zinc/06/32/59/398063259.db2.gz CXGJNPPGFBAGPM-NSHDSACASA-N 0 3 248.370 3.316 20 0 BGADHN CCC(C)(C)[C@@H](C)NCc1csc(C)n1 ZINC000651196277 410859981 /nfs/dbraw/zinc/85/99/81/410859981.db2.gz KNUGDNWPUARZBT-SECBINFHSA-N 0 3 226.389 3.366 20 0 BGADHN CCC(C)(C)[C@H](C)NCc1csc(C)n1 ZINC000651196279 410859056 /nfs/dbraw/zinc/85/90/56/410859056.db2.gz KNUGDNWPUARZBT-VIFPVBQESA-N 0 3 226.389 3.366 20 0 BGADHN CN(C)CCSc1ccc(Cl)c(F)c1 ZINC000651202835 410861844 /nfs/dbraw/zinc/86/18/44/410861844.db2.gz UKUFYNYFZICWDV-UHFFFAOYSA-N 0 3 233.739 3.133 20 0 BGADHN CCC(C)(C)[C@@H](C)NCC(=O)Nc1ccccc1 ZINC000651205100 410863240 /nfs/dbraw/zinc/86/32/40/410863240.db2.gz ZFKPAGFHPIYLST-GFCCVEGCSA-N 0 3 248.370 3.039 20 0 BGADHN CCC(C)(C)[C@H](C)NCC(=O)Nc1ccccc1 ZINC000651205101 410863135 /nfs/dbraw/zinc/86/31/35/410863135.db2.gz ZFKPAGFHPIYLST-LBPRGKRZSA-N 0 3 248.370 3.039 20 0 BGADHN CCC(C)(C)[C@@H](C)NCc1nccn1C(F)F ZINC000651207422 410864623 /nfs/dbraw/zinc/86/46/23/410864623.db2.gz MMWKFPORQXPWMN-SECBINFHSA-N 0 3 245.317 3.193 20 0 BGADHN CCC(C)(C)[C@H](C)NCc1nccn1C(F)F ZINC000651207423 410864335 /nfs/dbraw/zinc/86/43/35/410864335.db2.gz MMWKFPORQXPWMN-VIFPVBQESA-N 0 3 245.317 3.193 20 0 BGADHN CCC(C)(C)[C@@H](C)NCc1cscn1 ZINC000651211705 487703669 /nfs/dbraw/zinc/70/36/69/487703669.db2.gz UWFIWYYPSAEWNJ-SECBINFHSA-N 0 3 212.362 3.057 20 0 BGADHN CCC(C)(C)[C@H](C)NCc1cscn1 ZINC000651211706 487703208 /nfs/dbraw/zinc/70/32/08/487703208.db2.gz UWFIWYYPSAEWNJ-VIFPVBQESA-N 0 3 212.362 3.057 20 0 BGADHN CCC(C)(C)[C@@H](C)NCc1cccc(OC)n1 ZINC000651221720 410869188 /nfs/dbraw/zinc/86/91/88/410869188.db2.gz YRTYWHXXYDVLHH-LLVKDONJSA-N 0 3 236.359 3.005 20 0 BGADHN CCC(C)(C)[C@H](C)NCc1cccc(OC)n1 ZINC000651221721 410869497 /nfs/dbraw/zinc/86/94/97/410869497.db2.gz YRTYWHXXYDVLHH-NSHDSACASA-N 0 3 236.359 3.005 20 0 BGADHN CC(C)c1cc(CN[C@H](C2CC2)C2CCC2)on1 ZINC000651229861 410871708 /nfs/dbraw/zinc/87/17/08/410871708.db2.gz WVWWZINOYLHJNL-HNNXBMFYSA-N 0 3 248.370 3.466 20 0 BGADHN CC(C)c1cc(CN[C@@H](C2CC2)C2CCC2)on1 ZINC000651229862 410870695 /nfs/dbraw/zinc/87/06/95/410870695.db2.gz WVWWZINOYLHJNL-OAHLLOKOSA-N 0 3 248.370 3.466 20 0 BGADHN CC[C@@H](NCc1cc(C)[nH]n1)c1ccsc1 ZINC000651232985 410874191 /nfs/dbraw/zinc/87/41/91/410874191.db2.gz XXUJFKMAJGHCTL-GFCCVEGCSA-N 0 3 235.356 3.021 20 0 BGADHN CC[C@H](NCc1cc(C)[nH]n1)c1ccsc1 ZINC000651232986 410874133 /nfs/dbraw/zinc/87/41/33/410874133.db2.gz XXUJFKMAJGHCTL-LBPRGKRZSA-N 0 3 235.356 3.021 20 0 BGADHN CCc1cc(CN[C@H](C2CC2)C2CCCC2)on1 ZINC000651236212 410874993 /nfs/dbraw/zinc/87/49/93/410874993.db2.gz COVVWYZELIMXEY-HNNXBMFYSA-N 0 3 248.370 3.295 20 0 BGADHN CCc1cc(CN[C@@H](C2CC2)C2CCCC2)on1 ZINC000651236213 410874955 /nfs/dbraw/zinc/87/49/55/410874955.db2.gz COVVWYZELIMXEY-OAHLLOKOSA-N 0 3 248.370 3.295 20 0 BGADHN CCc1cc(CN[C@@H](C)C(C)(C)CC)on1 ZINC000651236259 410875145 /nfs/dbraw/zinc/87/51/45/410875145.db2.gz UNNXOEJIJXHBDQ-JTQLQIEISA-N 0 3 224.348 3.151 20 0 BGADHN CCc1cc(CN[C@H](C)C(C)(C)CC)on1 ZINC000651236260 410875221 /nfs/dbraw/zinc/87/52/21/410875221.db2.gz UNNXOEJIJXHBDQ-SNVBAGLBSA-N 0 3 224.348 3.151 20 0 BGADHN CCC(C)(C)[C@H](C)NCc1ccc(F)cn1 ZINC000651253857 410885893 /nfs/dbraw/zinc/88/58/93/410885893.db2.gz RLVZJCRQIBGZOW-JTQLQIEISA-N 0 3 224.323 3.135 20 0 BGADHN CCC(C)(C)[C@@H](C)NCc1ccc(F)cn1 ZINC000651253858 410886258 /nfs/dbraw/zinc/88/62/58/410886258.db2.gz RLVZJCRQIBGZOW-SNVBAGLBSA-N 0 3 224.323 3.135 20 0 BGADHN CCn1ccnc1[C@@H](C)NC(C(C)C)C(C)C ZINC000651273046 410892830 /nfs/dbraw/zinc/89/28/30/410892830.db2.gz GLODEZXDHWWBCO-GFCCVEGCSA-N 0 3 237.391 3.234 20 0 BGADHN CCn1ccnc1[C@H](C)NC(C(C)C)C(C)C ZINC000651273047 410894718 /nfs/dbraw/zinc/89/47/18/410894718.db2.gz GLODEZXDHWWBCO-LBPRGKRZSA-N 0 3 237.391 3.234 20 0 BGADHN CC(C)C(N[C@H]1C[C@@H](C)n2ccnc21)C(C)C ZINC000651273058 410893423 /nfs/dbraw/zinc/89/34/23/410893423.db2.gz LOTWFTAKZVNICM-NEPJUHHUSA-N 0 3 235.375 3.159 20 0 BGADHN CC(C)C(N[C@@H]1C[C@H](C)n2ccnc21)C(C)C ZINC000651273059 410893072 /nfs/dbraw/zinc/89/30/72/410893072.db2.gz LOTWFTAKZVNICM-NWDGAFQWSA-N 0 3 235.375 3.159 20 0 BGADHN CC(C)C(N[C@H]1C[C@H](C)n2ccnc21)C(C)C ZINC000651273060 410893338 /nfs/dbraw/zinc/89/33/38/410893338.db2.gz LOTWFTAKZVNICM-RYUDHWBXSA-N 0 3 235.375 3.159 20 0 BGADHN CC(C)C(N[C@@H]1C[C@@H](C)n2ccnc21)C(C)C ZINC000651273061 410893391 /nfs/dbraw/zinc/89/33/91/410893391.db2.gz LOTWFTAKZVNICM-VXGBXAGGSA-N 0 3 235.375 3.159 20 0 BGADHN CC[C@H](N[C@@H]1CCC(F)(F)C1)c1ccncc1 ZINC000651300831 410907675 /nfs/dbraw/zinc/90/76/75/410907675.db2.gz MKHLTWHSWSGAGB-NEPJUHHUSA-N 0 3 240.297 3.310 20 0 BGADHN CC[C@@H](N[C@H]1CCC(F)(F)C1)c1ccncc1 ZINC000651300833 410908075 /nfs/dbraw/zinc/90/80/75/410908075.db2.gz MKHLTWHSWSGAGB-NWDGAFQWSA-N 0 3 240.297 3.310 20 0 BGADHN CC[C@H](N[C@H]1CCC(F)(F)C1)c1ccncc1 ZINC000651300834 410908483 /nfs/dbraw/zinc/90/84/83/410908483.db2.gz MKHLTWHSWSGAGB-RYUDHWBXSA-N 0 3 240.297 3.310 20 0 BGADHN CC[C@@H](N[C@@H]1CCC(F)(F)C1)c1ccncc1 ZINC000651300835 410908729 /nfs/dbraw/zinc/90/87/29/410908729.db2.gz MKHLTWHSWSGAGB-VXGBXAGGSA-N 0 3 240.297 3.310 20 0 BGADHN CCC(C)(C)[C@@H](C)NCc1cc(C)nc(C)n1 ZINC000651344290 410926218 /nfs/dbraw/zinc/92/62/18/410926218.db2.gz GTMRRQXWTGELIB-LLVKDONJSA-N 0 3 235.375 3.008 20 0 BGADHN CCC(C)(C)[C@H](C)NCc1cc(C)nc(C)n1 ZINC000651344291 410926844 /nfs/dbraw/zinc/92/68/44/410926844.db2.gz GTMRRQXWTGELIB-NSHDSACASA-N 0 3 235.375 3.008 20 0 BGADHN FC1(F)CCC[C@H]1N[C@H](C1CC1)C1CCC1 ZINC000651346008 410928266 /nfs/dbraw/zinc/92/82/66/410928266.db2.gz ZLPAZPDROKESMY-NEPJUHHUSA-N 0 3 229.314 3.343 20 0 BGADHN FC1(F)CCC[C@@H]1N[C@@H](C1CC1)C1CCC1 ZINC000651346009 410928152 /nfs/dbraw/zinc/92/81/52/410928152.db2.gz ZLPAZPDROKESMY-NWDGAFQWSA-N 0 3 229.314 3.343 20 0 BGADHN FC1(F)CCC[C@@H]1N[C@H](C1CC1)C1CCC1 ZINC000651346010 410928032 /nfs/dbraw/zinc/92/80/32/410928032.db2.gz ZLPAZPDROKESMY-RYUDHWBXSA-N 0 3 229.314 3.343 20 0 BGADHN FC1(F)CCC[C@H]1N[C@@H](C1CC1)C1CCC1 ZINC000651346011 410928660 /nfs/dbraw/zinc/92/86/60/410928660.db2.gz ZLPAZPDROKESMY-VXGBXAGGSA-N 0 3 229.314 3.343 20 0 BGADHN CC(F)(F)CN[C@@H](C1CC1)C1CCCC1 ZINC000651351912 410940939 /nfs/dbraw/zinc/94/09/39/410940939.db2.gz GPMOLWZSOMFZSS-LLVKDONJSA-N 0 3 217.303 3.200 20 0 BGADHN CC(F)(F)CN[C@H](C1CC1)C1CCCC1 ZINC000651351913 410940403 /nfs/dbraw/zinc/94/04/03/410940403.db2.gz GPMOLWZSOMFZSS-NSHDSACASA-N 0 3 217.303 3.200 20 0 BGADHN CCc1noc(C)c1CN[C@H](C)C(C)(C)CC ZINC000651351929 410941949 /nfs/dbraw/zinc/94/19/49/410941949.db2.gz VMBHEDVMKRKYHF-LLVKDONJSA-N 0 3 238.375 3.460 20 0 BGADHN CCc1noc(C)c1CN[C@@H](C)C(C)(C)CC ZINC000651351930 410942045 /nfs/dbraw/zinc/94/20/45/410942045.db2.gz VMBHEDVMKRKYHF-NSHDSACASA-N 0 3 238.375 3.460 20 0 BGADHN Cc1ncc([C@@H](C)NCCC(C)(F)F)s1 ZINC000651360374 410947676 /nfs/dbraw/zinc/94/76/76/410947676.db2.gz CEHFZYPZGQEJFV-SSDOTTSWSA-N 0 3 234.315 3.147 20 0 BGADHN Cc1ncc([C@H](C)NCCC(C)(F)F)s1 ZINC000651360375 410948652 /nfs/dbraw/zinc/94/86/52/410948652.db2.gz CEHFZYPZGQEJFV-ZETCQYMHSA-N 0 3 234.315 3.147 20 0 BGADHN Cc1ccc([C@H](C)NCCC(C)(F)F)c(C)n1 ZINC000651360402 410948689 /nfs/dbraw/zinc/94/86/89/410948689.db2.gz VOPSHLYWXXVSNJ-JTQLQIEISA-N 0 3 242.313 3.394 20 0 BGADHN Cc1ccc([C@@H](C)NCCC(C)(F)F)c(C)n1 ZINC000651360403 410948615 /nfs/dbraw/zinc/94/86/15/410948615.db2.gz VOPSHLYWXXVSNJ-SNVBAGLBSA-N 0 3 242.313 3.394 20 0 BGADHN CCc1cc(N2CCC[C@H](OC(C)C)C2)ccn1 ZINC000651386276 410970756 /nfs/dbraw/zinc/97/07/56/410970756.db2.gz IGFLNEYDCHJHLI-HNNXBMFYSA-N 0 3 248.370 3.038 20 0 BGADHN CCc1cc(N2CCC[C@@H](OC(C)C)C2)ccn1 ZINC000651386277 410970583 /nfs/dbraw/zinc/97/05/83/410970583.db2.gz IGFLNEYDCHJHLI-OAHLLOKOSA-N 0 3 248.370 3.038 20 0 BGADHN CCC1(N[C@H](C)c2cnc(C)s2)CC1 ZINC000651396510 410977314 /nfs/dbraw/zinc/97/73/14/410977314.db2.gz BILNMWVPZJEODO-MRVPVSSYSA-N 0 3 210.346 3.045 20 0 BGADHN CCC1(N[C@@H](C)c2cnc(C)s2)CC1 ZINC000651396511 410977885 /nfs/dbraw/zinc/97/78/85/410977885.db2.gz BILNMWVPZJEODO-QMMMGPOBSA-N 0 3 210.346 3.045 20 0 BGADHN CCC1(N[C@H](C)c2nc(C)sc2C)CC1 ZINC000651396545 410978816 /nfs/dbraw/zinc/97/88/16/410978816.db2.gz JGPDCGATPQEZIZ-MRVPVSSYSA-N 0 3 224.373 3.353 20 0 BGADHN CCC1(N[C@@H](C)c2nc(C)sc2C)CC1 ZINC000651396546 410977904 /nfs/dbraw/zinc/97/79/04/410977904.db2.gz JGPDCGATPQEZIZ-QMMMGPOBSA-N 0 3 224.373 3.353 20 0 BGADHN CCC1(N[C@@H]2CCc3c2cc(F)cc3F)CC1 ZINC000651396643 410977241 /nfs/dbraw/zinc/97/72/41/410977241.db2.gz YDOPRYFKLNSBHI-CYBMUJFWSA-N 0 3 237.293 3.484 20 0 BGADHN CCC1(N[C@H]2CCc3c2cc(F)cc3F)CC1 ZINC000651396644 410978900 /nfs/dbraw/zinc/97/89/00/410978900.db2.gz YDOPRYFKLNSBHI-ZDUSSCGKSA-N 0 3 237.293 3.484 20 0 BGADHN C[C@@H](N[C@@H](C)c1nccn1C)[C@H]1CCCC[C@@H]1C ZINC000651402583 410985132 /nfs/dbraw/zinc/98/51/32/410985132.db2.gz FIGWFBDBHYCRRD-CRWXNKLISA-N 0 3 249.402 3.286 20 0 BGADHN C[C@@H](N[C@@H](C)c1nccn1C)[C@H]1CCCC[C@H]1C ZINC000651402584 410984662 /nfs/dbraw/zinc/98/46/62/410984662.db2.gz FIGWFBDBHYCRRD-MQYQWHSLSA-N 0 3 249.402 3.286 20 0 BGADHN C[C@@H](N[C@@H](C)c1nccn1C)[C@@H]1CCCC[C@@H]1C ZINC000651402585 410985191 /nfs/dbraw/zinc/98/51/91/410985191.db2.gz FIGWFBDBHYCRRD-RFQIPJPRSA-N 0 3 249.402 3.286 20 0 BGADHN C[C@@H](N[C@@H](C)c1nccn1C)[C@@H]1CCCC[C@H]1C ZINC000651402586 410984982 /nfs/dbraw/zinc/98/49/82/410984982.db2.gz FIGWFBDBHYCRRD-YIYPIFLZSA-N 0 3 249.402 3.286 20 0 BGADHN CC/C=C/CN[C@@H](C)c1cnc(C)s1 ZINC000651412692 487733257 /nfs/dbraw/zinc/73/32/57/487733257.db2.gz QGTFKDSYUKRQOO-CYNONHLPSA-N 0 3 210.346 3.068 20 0 BGADHN CC/C=C\CN[C@H](C)c1cnc(C)s1 ZINC000651412693 487732838 /nfs/dbraw/zinc/73/28/38/487732838.db2.gz QGTFKDSYUKRQOO-SSJHQANKSA-N 0 3 210.346 3.068 20 0 BGADHN CC/C=C\CN[C@@H](C)c1cnc(C)s1 ZINC000651412694 487732753 /nfs/dbraw/zinc/73/27/53/487732753.db2.gz QGTFKDSYUKRQOO-UDIARPCQSA-N 0 3 210.346 3.068 20 0 BGADHN CC/C=C/CN[C@H](C)c1cnc(C)s1 ZINC000651412695 487733201 /nfs/dbraw/zinc/73/32/01/487733201.db2.gz QGTFKDSYUKRQOO-VUHVRTRXSA-N 0 3 210.346 3.068 20 0 BGADHN CC/C=C\CN[C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000651412696 487733179 /nfs/dbraw/zinc/73/31/79/487733179.db2.gz RCAAYKTXKGVUOM-LWTINBJPSA-N 0 3 246.310 3.150 20 0 BGADHN CC/C=C/CN[C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000651412697 487733391 /nfs/dbraw/zinc/73/33/91/487733391.db2.gz RCAAYKTXKGVUOM-ORAHPGNNSA-N 0 3 246.310 3.150 20 0 BGADHN CC/C=C\CN[C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000651412698 487733649 /nfs/dbraw/zinc/73/36/49/487733649.db2.gz RCAAYKTXKGVUOM-UMCURTJPSA-N 0 3 246.310 3.150 20 0 BGADHN CC/C=C/CN[C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000651412699 487733064 /nfs/dbraw/zinc/73/30/64/487733064.db2.gz RCAAYKTXKGVUOM-YEZKRMTDSA-N 0 3 246.310 3.150 20 0 BGADHN CC/C=C\CN[C@@H](C)c1ccc(C)nc1C ZINC000651412732 487732852 /nfs/dbraw/zinc/73/28/52/487732852.db2.gz ZOGAMGPZGXCTQE-DGMVEKRQSA-N 0 3 218.344 3.315 20 0 BGADHN CC/C=C/CN[C@H](C)c1ccc(C)nc1C ZINC000651412733 487733211 /nfs/dbraw/zinc/73/32/11/487733211.db2.gz ZOGAMGPZGXCTQE-NNNHXZLVSA-N 0 3 218.344 3.315 20 0 BGADHN CC/C=C/CN[C@@H](C)c1ccc(C)nc1C ZINC000651412734 487733475 /nfs/dbraw/zinc/73/34/75/487733475.db2.gz ZOGAMGPZGXCTQE-SYTKJHMZSA-N 0 3 218.344 3.315 20 0 BGADHN CC/C=C\CN[C@H](C)c1ccc(C)nc1C ZINC000651412735 487732891 /nfs/dbraw/zinc/73/28/91/487732891.db2.gz ZOGAMGPZGXCTQE-ZHRWSRJISA-N 0 3 218.344 3.315 20 0 BGADHN c1csc(CNCC2(C3CCC3)CCC2)n1 ZINC000651595504 411127832 /nfs/dbraw/zinc/12/78/32/411127832.db2.gz HVBRQEMVPKYRRF-UHFFFAOYSA-N 0 3 236.384 3.203 20 0 BGADHN c1c2cnccc2oc1CN1CCCCCC1 ZINC000651605337 411129006 /nfs/dbraw/zinc/12/90/06/411129006.db2.gz AWVRWJVYXIOEFK-UHFFFAOYSA-N 0 3 230.311 3.204 20 0 BGADHN COc1ccc(CN2CCC[C@@H](C)C2)c(F)c1 ZINC000651605407 411129351 /nfs/dbraw/zinc/12/93/51/411129351.db2.gz FCSZSZWGILBMFC-LLVKDONJSA-N 0 3 237.318 3.066 20 0 BGADHN COc1ccc(CN2CCC[C@H](C)C2)c(F)c1 ZINC000651605408 411129654 /nfs/dbraw/zinc/12/96/54/411129654.db2.gz FCSZSZWGILBMFC-NSHDSACASA-N 0 3 237.318 3.066 20 0 BGADHN C[C@@H]1CCCN(Cc2cc3cnccc3o2)C1 ZINC000651605789 411129493 /nfs/dbraw/zinc/12/94/93/411129493.db2.gz USAOWSVRYRCFQQ-LLVKDONJSA-N 0 3 230.311 3.060 20 0 BGADHN C[C@H]1CCCN(Cc2cc3cnccc3o2)C1 ZINC000651605790 411129560 /nfs/dbraw/zinc/12/95/60/411129560.db2.gz USAOWSVRYRCFQQ-NSHDSACASA-N 0 3 230.311 3.060 20 0 BGADHN CCN(CC)Cc1nc(C(C)C)n2ccccc12 ZINC000651605843 411129566 /nfs/dbraw/zinc/12/95/66/411129566.db2.gz WRZJCQLDBUDFLU-UHFFFAOYSA-N 0 3 245.370 3.300 20 0 BGADHN CC1CCN(Cc2cc3cnccc3o2)CC1 ZINC000651606458 411129067 /nfs/dbraw/zinc/12/90/67/411129067.db2.gz LZDFCBPJMBFMSV-UHFFFAOYSA-N 0 3 230.311 3.060 20 0 BGADHN C[C@@H]1CCCCN1Cc1cc2cnccc2o1 ZINC000651606666 411129328 /nfs/dbraw/zinc/12/93/28/411129328.db2.gz UEGVHZVHVNZIHN-LLVKDONJSA-N 0 3 230.311 3.202 20 0 BGADHN C[C@H]1CCCCN1Cc1cc2cnccc2o1 ZINC000651606667 411128963 /nfs/dbraw/zinc/12/89/63/411128963.db2.gz UEGVHZVHVNZIHN-NSHDSACASA-N 0 3 230.311 3.202 20 0 BGADHN CCC1CN(Cc2cc3ccccc3[nH]2)C1 ZINC000651609436 411129776 /nfs/dbraw/zinc/12/97/76/411129776.db2.gz GZWBVUXWNPEQLY-UHFFFAOYSA-N 0 3 214.312 3.010 20 0 BGADHN CCC1CN(Cc2ccc3cnccc3c2)C1 ZINC000651609449 411129845 /nfs/dbraw/zinc/12/98/45/411129845.db2.gz MEEKGDSIZMVDCZ-UHFFFAOYSA-N 0 3 226.323 3.077 20 0 BGADHN CCC1CN(Cc2cccc3cnccc32)C1 ZINC000651609464 411129920 /nfs/dbraw/zinc/12/99/20/411129920.db2.gz ZIVWTDFGIABJOO-UHFFFAOYSA-N 0 3 226.323 3.077 20 0 BGADHN CCC1CN(Cc2ccccc2C2CC2)C1 ZINC000651610235 411129895 /nfs/dbraw/zinc/12/98/95/411129895.db2.gz OHGJWZFNNHNAKK-UHFFFAOYSA-N 0 3 215.340 3.406 20 0 BGADHN CCC1CN(Cc2nccc3ccccc32)C1 ZINC000651610252 411129745 /nfs/dbraw/zinc/12/97/45/411129745.db2.gz WMQUZCABAHVJDD-UHFFFAOYSA-N 0 3 226.323 3.077 20 0 BGADHN COc1ccc(CN(C)C2CCCC2)c(F)c1 ZINC000651610409 537816351 /nfs/dbraw/zinc/81/63/51/537816351.db2.gz GNXRKTBKULHQCP-UHFFFAOYSA-N 0 3 237.318 3.209 20 0 BGADHN COc1ccc(CN(C(C)C)C2CC2)c(F)c1 ZINC000651616735 487800838 /nfs/dbraw/zinc/80/08/38/487800838.db2.gz LDBJBRQDINWIBA-UHFFFAOYSA-N 0 3 237.318 3.207 20 0 BGADHN CC[C@@H]1CCCN(Cc2cc3cnccc3o2)C1 ZINC000651620299 487801721 /nfs/dbraw/zinc/80/17/21/487801721.db2.gz WIMXZEXUAQXHRS-GFCCVEGCSA-N 0 3 244.338 3.450 20 0 BGADHN CC[C@H]1CCCN(Cc2cc3cnccc3o2)C1 ZINC000651620300 487801874 /nfs/dbraw/zinc/80/18/74/487801874.db2.gz WIMXZEXUAQXHRS-LBPRGKRZSA-N 0 3 244.338 3.450 20 0 BGADHN CC1(C)CCCN(Cc2cc3cnccc3o2)C1 ZINC000651620420 411131162 /nfs/dbraw/zinc/13/11/62/411131162.db2.gz AXFUKOSQJJUBLM-UHFFFAOYSA-N 0 3 244.338 3.450 20 0 BGADHN C[C@@H]1CC[C@H](CNCc2cscc2Cl)O1 ZINC000651621055 411131221 /nfs/dbraw/zinc/13/12/21/411131221.db2.gz ZMKOIQFJDBDDDF-PSASIEDQSA-N 0 3 245.775 3.059 20 0 BGADHN C[C@@H]1CC[C@@H](CNCc2cscc2Cl)O1 ZINC000651621056 411131236 /nfs/dbraw/zinc/13/12/36/411131236.db2.gz ZMKOIQFJDBDDDF-SCZZXKLOSA-N 0 3 245.775 3.059 20 0 BGADHN C[C@H]1CC[C@H](CNCc2cscc2Cl)O1 ZINC000651621057 411131126 /nfs/dbraw/zinc/13/11/26/411131126.db2.gz ZMKOIQFJDBDDDF-WCBMZHEXSA-N 0 3 245.775 3.059 20 0 BGADHN C[C@H]1CC[C@@H](CNCc2cscc2Cl)O1 ZINC000651621058 411131136 /nfs/dbraw/zinc/13/11/36/411131136.db2.gz ZMKOIQFJDBDDDF-WPRPVWTQSA-N 0 3 245.775 3.059 20 0 BGADHN CCC1CCN(Cc2cc3cnccc3o2)CC1 ZINC000651621457 411131153 /nfs/dbraw/zinc/13/11/53/411131153.db2.gz QSOASSCATYBJLX-UHFFFAOYSA-N 0 3 244.338 3.450 20 0 BGADHN CC1(C)CCN(Cc2cc3cnccc3o2)C1 ZINC000651638642 490127853 /nfs/dbraw/zinc/12/78/53/490127853.db2.gz GNLUKKSTADBJQJ-UHFFFAOYSA-N 0 3 230.311 3.060 20 0 BGADHN CCN(Cc1ccc(OC)cc1F)CC1CC1 ZINC000651639948 411132631 /nfs/dbraw/zinc/13/26/31/411132631.db2.gz WISBXTZYNVVPLP-UHFFFAOYSA-N 0 3 237.318 3.066 20 0 BGADHN c1c2cnccc2oc1CN1CCC2(CCC2)C1 ZINC000651641247 491072574 /nfs/dbraw/zinc/07/25/74/491072574.db2.gz KGAHZFSPDNPRAW-UHFFFAOYSA-N 0 3 242.322 3.204 20 0 BGADHN C[C@@H]1CCN(Cc2cc3cnccc3o2)C[C@@H]1C ZINC000651642081 487808807 /nfs/dbraw/zinc/80/88/07/487808807.db2.gz KUWPGOJWZOVJQP-NEPJUHHUSA-N 0 3 244.338 3.306 20 0 BGADHN C[C@H]1CCN(Cc2cc3cnccc3o2)C[C@H]1C ZINC000651642082 487809005 /nfs/dbraw/zinc/80/90/05/487809005.db2.gz KUWPGOJWZOVJQP-NWDGAFQWSA-N 0 3 244.338 3.306 20 0 BGADHN C[C@H]1CN(Cc2cc3cnccc3o2)CC[C@@H]1C ZINC000651642083 487808775 /nfs/dbraw/zinc/80/87/75/487808775.db2.gz KUWPGOJWZOVJQP-RYUDHWBXSA-N 0 3 244.338 3.306 20 0 BGADHN C[C@@H]1CCN(Cc2cc3cnccc3o2)C[C@H]1C ZINC000651642084 487808937 /nfs/dbraw/zinc/80/89/37/487808937.db2.gz KUWPGOJWZOVJQP-VXGBXAGGSA-N 0 3 244.338 3.306 20 0 BGADHN CC[C@@]1(C)CCN(Cc2cc3cnccc3o2)C1 ZINC000651647425 411132769 /nfs/dbraw/zinc/13/27/69/411132769.db2.gz PFQBNNXVDDGPEK-HNNXBMFYSA-N 0 3 244.338 3.450 20 0 BGADHN CC[C@]1(C)CCN(Cc2cc3cnccc3o2)C1 ZINC000651647426 411132864 /nfs/dbraw/zinc/13/28/64/411132864.db2.gz PFQBNNXVDDGPEK-OAHLLOKOSA-N 0 3 244.338 3.450 20 0 BGADHN c1c2cnccc2oc1CN1[C@H]2C=CC[C@@H]1CC2 ZINC000651651459 411133018 /nfs/dbraw/zinc/13/30/18/411133018.db2.gz ZDYGHMYUBOBUAV-QWHCGFSZSA-N 0 3 240.306 3.121 20 0 BGADHN COC[C@@H](CC(C)(C)C)NCc1ccsc1 ZINC000651664042 487813581 /nfs/dbraw/zinc/81/35/81/487813581.db2.gz AYZJFIMELYLFNY-GFCCVEGCSA-N 0 3 241.400 3.289 20 0 BGADHN COC[C@H](CC(C)(C)C)NCc1ccsc1 ZINC000651664043 487813820 /nfs/dbraw/zinc/81/38/20/487813820.db2.gz AYZJFIMELYLFNY-LBPRGKRZSA-N 0 3 241.400 3.289 20 0 BGADHN CCc1cc(CN[C@@H]2CCCCC[C@H]2C)on1 ZINC000651664526 487813507 /nfs/dbraw/zinc/81/35/07/487813507.db2.gz STAJGPDYGDKYIL-BXUZGUMPSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1cc(CN[C@H]2CCCCC[C@@H]2C)on1 ZINC000651664527 487813642 /nfs/dbraw/zinc/81/36/42/487813642.db2.gz STAJGPDYGDKYIL-FZMZJTMJSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1cc(CN[C@H]2CCCCC[C@H]2C)on1 ZINC000651664528 487813702 /nfs/dbraw/zinc/81/37/02/487813702.db2.gz STAJGPDYGDKYIL-RISCZKNCSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1cc(CN[C@@H]2CCCCC[C@@H]2C)on1 ZINC000651664529 487813718 /nfs/dbraw/zinc/81/37/18/487813718.db2.gz STAJGPDYGDKYIL-SMDDNHRTSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1cc(CN[C@H]2CCC[C@]2(C)CC)on1 ZINC000651664576 487813737 /nfs/dbraw/zinc/81/37/37/487813737.db2.gz UWOCXWGEVGGFOB-KBPBESRZSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1cc(CN[C@@H]2CCC[C@]2(C)CC)on1 ZINC000651664577 487813588 /nfs/dbraw/zinc/81/35/88/487813588.db2.gz UWOCXWGEVGGFOB-KGLIPLIRSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1cc(CN[C@H]2CCC[C@@]2(C)CC)on1 ZINC000651664578 487813483 /nfs/dbraw/zinc/81/34/83/487813483.db2.gz UWOCXWGEVGGFOB-UONOGXRCSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1cc(CN[C@@H]2CCC[C@@]2(C)CC)on1 ZINC000651664579 487813550 /nfs/dbraw/zinc/81/35/50/487813550.db2.gz UWOCXWGEVGGFOB-ZIAGYGMSSA-N 0 3 236.359 3.295 20 0 BGADHN CC(C)[C@H]1CCN1Cc1cc2cnccc2o1 ZINC000651664894 491073095 /nfs/dbraw/zinc/07/30/95/491073095.db2.gz FLTYBMKKUVWSAX-CYBMUJFWSA-N 0 3 230.311 3.058 20 0 BGADHN CC(C)[C@@H]1CCN1Cc1cc2cnccc2o1 ZINC000651664895 491073110 /nfs/dbraw/zinc/07/31/10/491073110.db2.gz FLTYBMKKUVWSAX-ZDUSSCGKSA-N 0 3 230.311 3.058 20 0 BGADHN CC[C@]1(C)CCC[C@H]1NCc1ccco1 ZINC000651666393 490129505 /nfs/dbraw/zinc/12/95/05/490129505.db2.gz AIMUWYIJKQQRRG-CHWSQXEVSA-N 0 3 207.317 3.338 20 0 BGADHN CC[C@@]1(C)CCC[C@H]1NCc1ccco1 ZINC000651666394 490129904 /nfs/dbraw/zinc/12/99/04/490129904.db2.gz AIMUWYIJKQQRRG-OLZOCXBDSA-N 0 3 207.317 3.338 20 0 BGADHN CC[C@]1(C)CCC[C@@H]1NCc1ccco1 ZINC000651666395 490129641 /nfs/dbraw/zinc/12/96/41/490129641.db2.gz AIMUWYIJKQQRRG-QWHCGFSZSA-N 0 3 207.317 3.338 20 0 BGADHN CC[C@@]1(C)CCC[C@@H]1NCc1ccco1 ZINC000651666396 490129843 /nfs/dbraw/zinc/12/98/43/490129843.db2.gz AIMUWYIJKQQRRG-STQMWFEESA-N 0 3 207.317 3.338 20 0 BGADHN c1ccc(CNCc2cccc3c2CCC3)cc1 ZINC000651667904 411134210 /nfs/dbraw/zinc/13/42/10/411134210.db2.gz WSMBCQBCACWACN-UHFFFAOYSA-N 0 3 237.346 3.465 20 0 BGADHN CCCN[C@H]1CCc2ccc(F)c(Cl)c21 ZINC000651668527 411134080 /nfs/dbraw/zinc/13/40/80/411134080.db2.gz OHWBYNIMMQITGT-JTQLQIEISA-N 0 3 227.710 3.466 20 0 BGADHN CCCN[C@@H]1CCc2ccc(F)c(Cl)c21 ZINC000651668528 411134408 /nfs/dbraw/zinc/13/44/08/411134408.db2.gz OHWBYNIMMQITGT-SNVBAGLBSA-N 0 3 227.710 3.466 20 0 BGADHN COC[C@H](CC(C)(C)C)N[C@H](C)c1ccco1 ZINC000651669160 487814444 /nfs/dbraw/zinc/81/44/44/487814444.db2.gz IIGHRMFOEHTCCG-NEPJUHHUSA-N 0 3 239.359 3.381 20 0 BGADHN COC[C@@H](CC(C)(C)C)N[C@@H](C)c1ccco1 ZINC000651669161 487814517 /nfs/dbraw/zinc/81/45/17/487814517.db2.gz IIGHRMFOEHTCCG-NWDGAFQWSA-N 0 3 239.359 3.381 20 0 BGADHN COC[C@H](CC(C)(C)C)N[C@@H](C)c1ccco1 ZINC000651669162 487814493 /nfs/dbraw/zinc/81/44/93/487814493.db2.gz IIGHRMFOEHTCCG-RYUDHWBXSA-N 0 3 239.359 3.381 20 0 BGADHN COC[C@@H](CC(C)(C)C)N[C@H](C)c1ccco1 ZINC000651669163 487814231 /nfs/dbraw/zinc/81/42/31/487814231.db2.gz IIGHRMFOEHTCCG-VXGBXAGGSA-N 0 3 239.359 3.381 20 0 BGADHN Fc1ccc2c(c1Cl)[C@@H](NC1CC1)CC2 ZINC000651670506 411134184 /nfs/dbraw/zinc/13/41/84/411134184.db2.gz LLQVKFGOVRSWCW-JTQLQIEISA-N 0 3 225.694 3.218 20 0 BGADHN Fc1ccc2c(c1Cl)[C@H](NC1CC1)CC2 ZINC000651670507 411134069 /nfs/dbraw/zinc/13/40/69/411134069.db2.gz LLQVKFGOVRSWCW-SNVBAGLBSA-N 0 3 225.694 3.218 20 0 BGADHN CC(C)N[C@H]1CCc2ccc(F)c(Cl)c21 ZINC000651671427 411134077 /nfs/dbraw/zinc/13/40/77/411134077.db2.gz QXBMLOOKAZTMDU-JTQLQIEISA-N 0 3 227.710 3.464 20 0 BGADHN CC(C)N[C@@H]1CCc2ccc(F)c(Cl)c21 ZINC000651671428 411134477 /nfs/dbraw/zinc/13/44/77/411134477.db2.gz QXBMLOOKAZTMDU-SNVBAGLBSA-N 0 3 227.710 3.464 20 0 BGADHN Fc1ccc2c(c1Cl)[C@H](NCC1CC1)CC2 ZINC000651674631 411135053 /nfs/dbraw/zinc/13/50/53/411135053.db2.gz XZOVNBVGFJHUNZ-LLVKDONJSA-N 0 3 239.721 3.466 20 0 BGADHN Fc1ccc2c(c1Cl)[C@@H](NCC1CC1)CC2 ZINC000651674632 411135138 /nfs/dbraw/zinc/13/51/38/411135138.db2.gz XZOVNBVGFJHUNZ-NSHDSACASA-N 0 3 239.721 3.466 20 0 BGADHN CC[C@]1(C)CCC[C@@H]1NCc1nccs1 ZINC000651683513 411135657 /nfs/dbraw/zinc/13/56/57/411135657.db2.gz BEVCQHDQECQJRC-CMPLNLGQSA-N 0 3 224.373 3.202 20 0 BGADHN CC[C@@]1(C)CCC[C@@H]1NCc1nccs1 ZINC000651683514 411135639 /nfs/dbraw/zinc/13/56/39/411135639.db2.gz BEVCQHDQECQJRC-JQWIXIFHSA-N 0 3 224.373 3.202 20 0 BGADHN CC[C@@]1(C)CCC[C@H]1NCc1nccs1 ZINC000651683515 411135678 /nfs/dbraw/zinc/13/56/78/411135678.db2.gz BEVCQHDQECQJRC-PWSUYJOCSA-N 0 3 224.373 3.202 20 0 BGADHN CC[C@]1(C)CCC[C@H]1NCc1nccs1 ZINC000651683516 411135571 /nfs/dbraw/zinc/13/55/71/411135571.db2.gz BEVCQHDQECQJRC-ZYHUDNBSSA-N 0 3 224.373 3.202 20 0 BGADHN COC[C@@H](CC(C)(C)C)NCc1ccoc1C ZINC000651685451 411136089 /nfs/dbraw/zinc/13/60/89/411136089.db2.gz UDPVBMWKKOOFBZ-CYBMUJFWSA-N 0 3 239.359 3.129 20 0 BGADHN COC[C@H](CC(C)(C)C)NCc1ccoc1C ZINC000651685452 411136044 /nfs/dbraw/zinc/13/60/44/411136044.db2.gz UDPVBMWKKOOFBZ-ZDUSSCGKSA-N 0 3 239.359 3.129 20 0 BGADHN CC[C@@]1(C)CCC[C@@H]1NCc1c(C)noc1C ZINC000651686538 411135888 /nfs/dbraw/zinc/13/58/88/411135888.db2.gz ARQCKTJMWHIZQB-KBPBESRZSA-N 0 3 236.359 3.350 20 0 BGADHN CC[C@@]1(C)CCC[C@H]1NCc1c(C)noc1C ZINC000651686539 411135992 /nfs/dbraw/zinc/13/59/92/411135992.db2.gz ARQCKTJMWHIZQB-KGLIPLIRSA-N 0 3 236.359 3.350 20 0 BGADHN CC[C@]1(C)CCC[C@@H]1NCc1c(C)noc1C ZINC000651686540 411135882 /nfs/dbraw/zinc/13/58/82/411135882.db2.gz ARQCKTJMWHIZQB-UONOGXRCSA-N 0 3 236.359 3.350 20 0 BGADHN CC[C@]1(C)CCC[C@H]1NCc1c(C)noc1C ZINC000651686541 411135897 /nfs/dbraw/zinc/13/58/97/411135897.db2.gz ARQCKTJMWHIZQB-ZIAGYGMSSA-N 0 3 236.359 3.350 20 0 BGADHN CC[C@]1(C)CCC[C@H]1NCc1cc(C)on1 ZINC000651687724 411135861 /nfs/dbraw/zinc/13/58/61/411135861.db2.gz NWFCMHWCVTZLMH-CHWSQXEVSA-N 0 3 222.332 3.041 20 0 BGADHN CC[C@@]1(C)CCC[C@H]1NCc1cc(C)on1 ZINC000651687725 411136126 /nfs/dbraw/zinc/13/61/26/411136126.db2.gz NWFCMHWCVTZLMH-OLZOCXBDSA-N 0 3 222.332 3.041 20 0 BGADHN CC[C@]1(C)CCC[C@@H]1NCc1cc(C)on1 ZINC000651687726 411136134 /nfs/dbraw/zinc/13/61/34/411136134.db2.gz NWFCMHWCVTZLMH-QWHCGFSZSA-N 0 3 222.332 3.041 20 0 BGADHN CC[C@@]1(C)CCC[C@@H]1NCc1cc(C)on1 ZINC000651687727 411135834 /nfs/dbraw/zinc/13/58/34/411135834.db2.gz NWFCMHWCVTZLMH-STQMWFEESA-N 0 3 222.332 3.041 20 0 BGADHN CCc1cccc(CNCCOC(C)(C)C)c1 ZINC000651692298 411136987 /nfs/dbraw/zinc/13/69/87/411136987.db2.gz BBGPJIUXDGNKSV-UHFFFAOYSA-N 0 3 235.371 3.154 20 0 BGADHN CC(C)(C)OCCNCc1cccc2c1CCC2 ZINC000651692544 411136874 /nfs/dbraw/zinc/13/68/74/411136874.db2.gz JHFKAMIFXMOXMX-UHFFFAOYSA-N 0 3 247.382 3.080 20 0 BGADHN CC[C@@]1(C)CCC[C@H]1NCc1cscn1 ZINC000651693583 411136694 /nfs/dbraw/zinc/13/66/94/411136694.db2.gz WEBIOMSXAMOCGJ-NEPJUHHUSA-N 0 3 224.373 3.202 20 0 BGADHN CC[C@]1(C)CCC[C@@H]1NCc1cscn1 ZINC000651693584 411136701 /nfs/dbraw/zinc/13/67/01/411136701.db2.gz WEBIOMSXAMOCGJ-NWDGAFQWSA-N 0 3 224.373 3.202 20 0 BGADHN CC[C@@]1(C)CCC[C@@H]1NCc1cscn1 ZINC000651693585 411136786 /nfs/dbraw/zinc/13/67/86/411136786.db2.gz WEBIOMSXAMOCGJ-RYUDHWBXSA-N 0 3 224.373 3.202 20 0 BGADHN CC[C@]1(C)CCC[C@H]1NCc1cscn1 ZINC000651693586 411136769 /nfs/dbraw/zinc/13/67/69/411136769.db2.gz WEBIOMSXAMOCGJ-VXGBXAGGSA-N 0 3 224.373 3.202 20 0 BGADHN FC(F)(F)CCNCc1cccc2c1CCC2 ZINC000651725093 411139229 /nfs/dbraw/zinc/13/92/29/411139229.db2.gz SFOZRWLRLHFWOE-UHFFFAOYSA-N 0 3 243.272 3.217 20 0 BGADHN COC[C@H](CC(C)(C)C)N[C@@H](C)c1ccoc1 ZINC000651732353 411139722 /nfs/dbraw/zinc/13/97/22/411139722.db2.gz SFICXFYZLAKFFD-AAEUAGOBSA-N 0 3 239.359 3.381 20 0 BGADHN COC[C@@H](CC(C)(C)C)N[C@H](C)c1ccoc1 ZINC000651732354 411139499 /nfs/dbraw/zinc/13/94/99/411139499.db2.gz SFICXFYZLAKFFD-DGCLKSJQSA-N 0 3 239.359 3.381 20 0 BGADHN COC[C@@H](CC(C)(C)C)N[C@@H](C)c1ccoc1 ZINC000651732355 411139625 /nfs/dbraw/zinc/13/96/25/411139625.db2.gz SFICXFYZLAKFFD-WCQYABFASA-N 0 3 239.359 3.381 20 0 BGADHN COC[C@H](CC(C)(C)C)N[C@H](C)c1ccoc1 ZINC000651732356 411139661 /nfs/dbraw/zinc/13/96/61/411139661.db2.gz SFICXFYZLAKFFD-YPMHNXCESA-N 0 3 239.359 3.381 20 0 BGADHN FCCCN[C@H]1CCc2ccc(F)c(Cl)c21 ZINC000651735147 411139903 /nfs/dbraw/zinc/13/99/03/411139903.db2.gz IDZJYLTUNWFCTI-JTQLQIEISA-N 0 3 245.700 3.416 20 0 BGADHN FCCCN[C@@H]1CCc2ccc(F)c(Cl)c21 ZINC000651735148 411139895 /nfs/dbraw/zinc/13/98/95/411139895.db2.gz IDZJYLTUNWFCTI-SNVBAGLBSA-N 0 3 245.700 3.416 20 0 BGADHN CC[C@@]1(C)CCC[C@@H]1NCc1ccc(F)cn1 ZINC000651737517 411140046 /nfs/dbraw/zinc/14/00/46/411140046.db2.gz HTVJJEOODVEJAE-KBPBESRZSA-N 0 3 236.334 3.279 20 0 BGADHN CC[C@@]1(C)CCC[C@H]1NCc1ccc(F)cn1 ZINC000651737518 411140108 /nfs/dbraw/zinc/14/01/08/411140108.db2.gz HTVJJEOODVEJAE-KGLIPLIRSA-N 0 3 236.334 3.279 20 0 BGADHN CC[C@]1(C)CCC[C@@H]1NCc1ccc(F)cn1 ZINC000651737519 411140115 /nfs/dbraw/zinc/14/01/15/411140115.db2.gz HTVJJEOODVEJAE-UONOGXRCSA-N 0 3 236.334 3.279 20 0 BGADHN CC[C@]1(C)CCC[C@H]1NCc1ccc(F)cn1 ZINC000651737520 411140014 /nfs/dbraw/zinc/14/00/14/411140014.db2.gz HTVJJEOODVEJAE-ZIAGYGMSSA-N 0 3 236.334 3.279 20 0 BGADHN C[C@H]1CCCCC[C@@H]1NCc1ncccc1F ZINC000651739691 411139837 /nfs/dbraw/zinc/13/98/37/411139837.db2.gz CDSCFQZINFNEFD-AAEUAGOBSA-N 0 3 236.334 3.279 20 0 BGADHN C[C@@H]1CCCCC[C@H]1NCc1ncccc1F ZINC000651739692 411139856 /nfs/dbraw/zinc/13/98/56/411139856.db2.gz CDSCFQZINFNEFD-DGCLKSJQSA-N 0 3 236.334 3.279 20 0 BGADHN C[C@H]1CCCCC[C@H]1NCc1ncccc1F ZINC000651739693 411139784 /nfs/dbraw/zinc/13/97/84/411139784.db2.gz CDSCFQZINFNEFD-WCQYABFASA-N 0 3 236.334 3.279 20 0 BGADHN C[C@@H]1CCCCC[C@@H]1NCc1ncccc1F ZINC000651739694 411139805 /nfs/dbraw/zinc/13/98/05/411139805.db2.gz CDSCFQZINFNEFD-YPMHNXCESA-N 0 3 236.334 3.279 20 0 BGADHN CC[C@@]1(C)CCC[C@@H]1NCc1ncccc1F ZINC000651739752 411140071 /nfs/dbraw/zinc/14/00/71/411140071.db2.gz FHUUDZWFYCGDEH-KBPBESRZSA-N 0 3 236.334 3.279 20 0 BGADHN CC[C@@]1(C)CCC[C@H]1NCc1ncccc1F ZINC000651739753 411139998 /nfs/dbraw/zinc/13/99/98/411139998.db2.gz FHUUDZWFYCGDEH-KGLIPLIRSA-N 0 3 236.334 3.279 20 0 BGADHN CC[C@]1(C)CCC[C@@H]1NCc1ncccc1F ZINC000651739754 411140173 /nfs/dbraw/zinc/14/01/73/411140173.db2.gz FHUUDZWFYCGDEH-UONOGXRCSA-N 0 3 236.334 3.279 20 0 BGADHN CC[C@]1(C)CCC[C@H]1NCc1ncccc1F ZINC000651739755 411140181 /nfs/dbraw/zinc/14/01/81/411140181.db2.gz FHUUDZWFYCGDEH-ZIAGYGMSSA-N 0 3 236.334 3.279 20 0 BGADHN CC[C@]1(C)CCC[C@H]1NCc1cc(C)no1 ZINC000651751817 487825526 /nfs/dbraw/zinc/82/55/26/487825526.db2.gz JAJJJJMYKMLADM-CHWSQXEVSA-N 0 3 222.332 3.041 20 0 BGADHN CC[C@@]1(C)CCC[C@H]1NCc1cc(C)no1 ZINC000651751818 487825513 /nfs/dbraw/zinc/82/55/13/487825513.db2.gz JAJJJJMYKMLADM-OLZOCXBDSA-N 0 3 222.332 3.041 20 0 BGADHN CC[C@]1(C)CCC[C@@H]1NCc1cc(C)no1 ZINC000651751819 487825312 /nfs/dbraw/zinc/82/53/12/487825312.db2.gz JAJJJJMYKMLADM-QWHCGFSZSA-N 0 3 222.332 3.041 20 0 BGADHN CC[C@@]1(C)CCC[C@@H]1NCc1cc(C)no1 ZINC000651751820 487824979 /nfs/dbraw/zinc/82/49/79/487824979.db2.gz JAJJJJMYKMLADM-STQMWFEESA-N 0 3 222.332 3.041 20 0 BGADHN c1c2cnccc2oc1CN1CCCC2(CC2)C1 ZINC000651765461 411142630 /nfs/dbraw/zinc/14/26/30/411142630.db2.gz RTIRTEZVCTXPQA-UHFFFAOYSA-N 0 3 242.322 3.204 20 0 BGADHN COc1ccc(CN2CC[C@H]3CCC[C@@H]32)c(F)c1 ZINC000651768008 411142777 /nfs/dbraw/zinc/14/27/77/411142777.db2.gz UNOLAUJHKDQPKF-ABAIWWIYSA-N 0 3 249.329 3.209 20 0 BGADHN COc1ccc(CN2CC[C@H]3CCC[C@H]32)c(F)c1 ZINC000651768009 411142813 /nfs/dbraw/zinc/14/28/13/411142813.db2.gz UNOLAUJHKDQPKF-IAQYHMDHSA-N 0 3 249.329 3.209 20 0 BGADHN COc1ccc(CN2CC[C@@H]3CCC[C@@H]32)c(F)c1 ZINC000651768010 411142870 /nfs/dbraw/zinc/14/28/70/411142870.db2.gz UNOLAUJHKDQPKF-NHYWBVRUSA-N 0 3 249.329 3.209 20 0 BGADHN COc1ccc(CN2CC[C@@H]3CCC[C@H]32)c(F)c1 ZINC000651768011 411142879 /nfs/dbraw/zinc/14/28/79/411142879.db2.gz UNOLAUJHKDQPKF-XHDPSFHLSA-N 0 3 249.329 3.209 20 0 BGADHN c1c2cnccc2oc1CN[C@H]1CC12CCCC2 ZINC000651785972 411143822 /nfs/dbraw/zinc/14/38/22/411143822.db2.gz CHCKOHYSXFXWDY-AWEZNQCLSA-N 0 3 242.322 3.250 20 0 BGADHN c1c2cnccc2oc1CN[C@@H]1CC12CCCC2 ZINC000651785973 411143800 /nfs/dbraw/zinc/14/38/00/411143800.db2.gz CHCKOHYSXFXWDY-CQSZACIVSA-N 0 3 242.322 3.250 20 0 BGADHN FC1(F)CC(NCc2cccc3c2CCC3)C1 ZINC000651786131 411143836 /nfs/dbraw/zinc/14/38/36/411143836.db2.gz MHXCTFIFDOAWLZ-UHFFFAOYSA-N 0 3 237.293 3.063 20 0 BGADHN CC1=C(C)CN(Cc2cc3cnccc3o2)CC1 ZINC000651791719 411144375 /nfs/dbraw/zinc/14/43/75/411144375.db2.gz OOXRKJCYMJPHRM-UHFFFAOYSA-N 0 3 242.322 3.370 20 0 BGADHN CC1=C[C@@H](C)CN(Cc2cc3cnccc3o2)C1 ZINC000651792124 411144381 /nfs/dbraw/zinc/14/43/81/411144381.db2.gz FECLGQDDKUVEMJ-LLVKDONJSA-N 0 3 242.322 3.226 20 0 BGADHN CC1=C[C@H](C)CN(Cc2cc3cnccc3o2)C1 ZINC000651792125 411144238 /nfs/dbraw/zinc/14/42/38/411144238.db2.gz FECLGQDDKUVEMJ-NSHDSACASA-N 0 3 242.322 3.226 20 0 BGADHN FC1(CCNCc2cc3cnccc3o2)CCC1 ZINC000651812001 411144833 /nfs/dbraw/zinc/14/48/33/411144833.db2.gz GGNXORJEHJDFIB-UHFFFAOYSA-N 0 3 248.301 3.200 20 0 BGADHN CCc1cccc(CN2CC(C3CC3)C2)c1 ZINC000651815506 411145054 /nfs/dbraw/zinc/14/50/54/411145054.db2.gz VLYWZPRVHDOAAS-UHFFFAOYSA-N 0 3 215.340 3.091 20 0 BGADHN COC[C@@H](CC(C)(C)C)NCc1occc1C ZINC000651815837 411145046 /nfs/dbraw/zinc/14/50/46/411145046.db2.gz OWQDHYOOSFRRHO-GFCCVEGCSA-N 0 3 239.359 3.129 20 0 BGADHN COC[C@H](CC(C)(C)C)NCc1occc1C ZINC000651815838 411145124 /nfs/dbraw/zinc/14/51/24/411145124.db2.gz OWQDHYOOSFRRHO-LBPRGKRZSA-N 0 3 239.359 3.129 20 0 BGADHN CC[C@@]1(C)CCC[C@H]1NCc1cnccc1OC ZINC000651816538 411145077 /nfs/dbraw/zinc/14/50/77/411145077.db2.gz ZDTZGEQIUZPASC-CABCVRRESA-N 0 3 248.370 3.149 20 0 BGADHN CC[C@@]1(C)CCC[C@@H]1NCc1cnccc1OC ZINC000651816539 411145009 /nfs/dbraw/zinc/14/50/09/411145009.db2.gz ZDTZGEQIUZPASC-GJZGRUSLSA-N 0 3 248.370 3.149 20 0 BGADHN CC[C@]1(C)CCC[C@H]1NCc1cnccc1OC ZINC000651816540 411145097 /nfs/dbraw/zinc/14/50/97/411145097.db2.gz ZDTZGEQIUZPASC-HUUCEWRRSA-N 0 3 248.370 3.149 20 0 BGADHN CC[C@]1(C)CCC[C@@H]1NCc1cnccc1OC ZINC000651816541 411145194 /nfs/dbraw/zinc/14/51/94/411145194.db2.gz ZDTZGEQIUZPASC-LSDHHAIUSA-N 0 3 248.370 3.149 20 0 BGADHN C[C@@H]1CCCCC[C@H]1NCC(C)(F)F ZINC000651816994 411145309 /nfs/dbraw/zinc/14/53/09/411145309.db2.gz TWZOKMRSCSBRDC-NXEZZACHSA-N 0 3 205.292 3.200 20 0 BGADHN C[C@H]1CCCCC[C@@H]1NCC(C)(F)F ZINC000651816995 411145235 /nfs/dbraw/zinc/14/52/35/411145235.db2.gz TWZOKMRSCSBRDC-UWVGGRQHSA-N 0 3 205.292 3.200 20 0 BGADHN C[C@H]1CCCCC[C@H]1NCC(C)(F)F ZINC000651816996 411145480 /nfs/dbraw/zinc/14/54/80/411145480.db2.gz TWZOKMRSCSBRDC-VHSXEESVSA-N 0 3 205.292 3.200 20 0 BGADHN C[C@@H]1CCCCC[C@@H]1NCC(C)(F)F ZINC000651816997 411145322 /nfs/dbraw/zinc/14/53/22/411145322.db2.gz TWZOKMRSCSBRDC-ZJUUUORDSA-N 0 3 205.292 3.200 20 0 BGADHN c1c2cnccc2oc1CNCC1=CCCCC1 ZINC000651818005 411145317 /nfs/dbraw/zinc/14/53/17/411145317.db2.gz HQUGYJNGTWDEEI-UHFFFAOYSA-N 0 3 242.322 3.418 20 0 BGADHN CCc1cccc(CNCCC(C)(F)F)c1 ZINC000651818202 411145354 /nfs/dbraw/zinc/14/53/54/411145354.db2.gz MZPSXFIPIYICTP-UHFFFAOYSA-N 0 3 227.298 3.384 20 0 BGADHN CC[C@]1(C)CCC[C@@H]1N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000651822798 411146044 /nfs/dbraw/zinc/14/60/44/411146044.db2.gz KJIDVLFIRQRMSW-GUIRCDHDSA-N 0 3 247.386 3.447 20 0 BGADHN CC[C@]1(C)CCC[C@@H]1N[C@H]1C[C@H](C)n2ccnc21 ZINC000651822799 411146131 /nfs/dbraw/zinc/14/61/31/411146131.db2.gz KJIDVLFIRQRMSW-PWNZVWSESA-N 0 3 247.386 3.447 20 0 BGADHN CC[C@]1(C)CCC[C@@H]1N[C@@H]1C[C@H](C)n2ccnc21 ZINC000651822800 411146067 /nfs/dbraw/zinc/14/60/67/411146067.db2.gz KJIDVLFIRQRMSW-SFDCQRBFSA-N 0 3 247.386 3.447 20 0 BGADHN CC[C@]1(C)CCC[C@@H]1N[C@H]1C[C@@H](C)n2ccnc21 ZINC000651822801 411146038 /nfs/dbraw/zinc/14/60/38/411146038.db2.gz KJIDVLFIRQRMSW-UKTARXLSSA-N 0 3 247.386 3.447 20 0 BGADHN CCc1cccc(CNCc2cnccc2C)c1 ZINC000651823188 411146105 /nfs/dbraw/zinc/14/61/05/411146105.db2.gz ZIJHMVAIAMJTGC-UHFFFAOYSA-N 0 3 240.350 3.242 20 0 BGADHN CCc1ncc(CN[C@H]2CCC[C@@]2(C)CC)o1 ZINC000651823224 411145511 /nfs/dbraw/zinc/14/55/11/411145511.db2.gz ATSVDMDQEOYGOI-GXTWGEPZSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1ncc(CN[C@H]2CCC[C@]2(C)CC)o1 ZINC000651823225 411145689 /nfs/dbraw/zinc/14/56/89/411145689.db2.gz ATSVDMDQEOYGOI-JSGCOSHPSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1ncc(CN[C@@H]2CCC[C@]2(C)CC)o1 ZINC000651823226 411145706 /nfs/dbraw/zinc/14/57/06/411145706.db2.gz ATSVDMDQEOYGOI-OCCSQVGLSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1ncc(CN[C@@H]2CCC[C@@]2(C)CC)o1 ZINC000651823227 411145608 /nfs/dbraw/zinc/14/56/08/411145608.db2.gz ATSVDMDQEOYGOI-TZMCWYRMSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1ncc(CN[C@H]2CCCCC[C@@H]2C)o1 ZINC000651823364 411145565 /nfs/dbraw/zinc/14/55/65/411145565.db2.gz FQWQOCHRWQMJNZ-AAEUAGOBSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1ncc(CN[C@@H]2CCCCC[C@H]2C)o1 ZINC000651823365 411145549 /nfs/dbraw/zinc/14/55/49/411145549.db2.gz FQWQOCHRWQMJNZ-DGCLKSJQSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1ncc(CN[C@@H]2CCCCC[C@@H]2C)o1 ZINC000651823366 411145655 /nfs/dbraw/zinc/14/56/55/411145655.db2.gz FQWQOCHRWQMJNZ-WCQYABFASA-N 0 3 236.359 3.295 20 0 BGADHN CCc1ncc(CN[C@H]2CCCCC[C@H]2C)o1 ZINC000651823367 411145584 /nfs/dbraw/zinc/14/55/84/411145584.db2.gz FQWQOCHRWQMJNZ-YPMHNXCESA-N 0 3 236.359 3.295 20 0 BGADHN CC1(C2(NCc3cc4cnccc4o3)CC2)CC1 ZINC000651824356 411145671 /nfs/dbraw/zinc/14/56/71/411145671.db2.gz OAHDTWMKSJMBHF-UHFFFAOYSA-N 0 3 242.322 3.250 20 0 BGADHN CC[C@@]1(C)CCC[C@H]1NCc1ncccc1OC ZINC000651825017 411146319 /nfs/dbraw/zinc/14/63/19/411146319.db2.gz DRGSOLXNPMFFEZ-CABCVRRESA-N 0 3 248.370 3.149 20 0 BGADHN CC[C@@]1(C)CCC[C@@H]1NCc1ncccc1OC ZINC000651825018 411146300 /nfs/dbraw/zinc/14/63/00/411146300.db2.gz DRGSOLXNPMFFEZ-GJZGRUSLSA-N 0 3 248.370 3.149 20 0 BGADHN CC[C@]1(C)CCC[C@H]1NCc1ncccc1OC ZINC000651825019 411146361 /nfs/dbraw/zinc/14/63/61/411146361.db2.gz DRGSOLXNPMFFEZ-HUUCEWRRSA-N 0 3 248.370 3.149 20 0 BGADHN CC[C@]1(C)CCC[C@@H]1NCc1ncccc1OC ZINC000651825020 411146279 /nfs/dbraw/zinc/14/62/79/411146279.db2.gz DRGSOLXNPMFFEZ-LSDHHAIUSA-N 0 3 248.370 3.149 20 0 BGADHN COc1cccnc1CN[C@@H]1CCCCC[C@H]1C ZINC000651825958 411146308 /nfs/dbraw/zinc/14/63/08/411146308.db2.gz ZEOPSERTHXJPAI-CHWSQXEVSA-N 0 3 248.370 3.149 20 0 BGADHN COc1cccnc1CN[C@H]1CCCCC[C@H]1C ZINC000651825959 411146259 /nfs/dbraw/zinc/14/62/59/411146259.db2.gz ZEOPSERTHXJPAI-OLZOCXBDSA-N 0 3 248.370 3.149 20 0 BGADHN COc1cccnc1CN[C@@H]1CCCCC[C@@H]1C ZINC000651825960 411146291 /nfs/dbraw/zinc/14/62/91/411146291.db2.gz ZEOPSERTHXJPAI-QWHCGFSZSA-N 0 3 248.370 3.149 20 0 BGADHN COc1cccnc1CN[C@H]1CCCCC[C@@H]1C ZINC000651825961 411146241 /nfs/dbraw/zinc/14/62/41/411146241.db2.gz ZEOPSERTHXJPAI-STQMWFEESA-N 0 3 248.370 3.149 20 0 BGADHN FC1CC2(C1)CN(Cc1cccc3c1CCC3)C2 ZINC000651828455 411146530 /nfs/dbraw/zinc/14/65/30/411146530.db2.gz KWXKEWOXQCVMJT-UHFFFAOYSA-N 0 3 245.341 3.109 20 0 BGADHN CC(C)(C)C1CN(Cc2cc3cnccc3o2)C1 ZINC000651828630 411146597 /nfs/dbraw/zinc/14/65/97/411146597.db2.gz WFUUHVPYIPCLMN-UHFFFAOYSA-N 0 3 244.338 3.306 20 0 BGADHN CC(C)C[C@@H]1C[C@H]1NCc1cc2cnccc2o1 ZINC000651828905 411146805 /nfs/dbraw/zinc/14/68/05/411146805.db2.gz FVOVVQBYLLPRLA-BXUZGUMPSA-N 0 3 244.338 3.352 20 0 BGADHN CC[C@]1(C)CCC[C@H]1NCc1cnc(C)o1 ZINC000651829882 491076381 /nfs/dbraw/zinc/07/63/81/491076381.db2.gz QMFOCSQYMPEVFE-CHWSQXEVSA-N 0 3 222.332 3.041 20 0 BGADHN CC[C@@]1(C)CCC[C@H]1NCc1cnc(C)o1 ZINC000651829883 491076345 /nfs/dbraw/zinc/07/63/45/491076345.db2.gz QMFOCSQYMPEVFE-OLZOCXBDSA-N 0 3 222.332 3.041 20 0 BGADHN CC[C@]1(C)CCC[C@@H]1NCc1cnc(C)o1 ZINC000651829884 491076468 /nfs/dbraw/zinc/07/64/68/491076468.db2.gz QMFOCSQYMPEVFE-QWHCGFSZSA-N 0 3 222.332 3.041 20 0 BGADHN CC[C@@]1(C)CCC[C@@H]1NCc1cnc(C)o1 ZINC000651829885 491076464 /nfs/dbraw/zinc/07/64/64/491076464.db2.gz QMFOCSQYMPEVFE-STQMWFEESA-N 0 3 222.332 3.041 20 0 BGADHN Cc1ncc(CN[C@H]2CCCCC[C@@H]2C)o1 ZINC000651829945 491076449 /nfs/dbraw/zinc/07/64/49/491076449.db2.gz TYTPFYKZPVBJJK-GWCFXTLKSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1ncc(CN[C@@H]2CCCCC[C@@H]2C)o1 ZINC000651829946 491076443 /nfs/dbraw/zinc/07/64/43/491076443.db2.gz TYTPFYKZPVBJJK-GXFFZTMASA-N 0 3 222.332 3.041 20 0 BGADHN Cc1ncc(CN[C@H]2CCCCC[C@H]2C)o1 ZINC000651829947 491076373 /nfs/dbraw/zinc/07/63/73/491076373.db2.gz TYTPFYKZPVBJJK-MFKMUULPSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1ncc(CN[C@@H]2CCCCC[C@H]2C)o1 ZINC000651829948 491076426 /nfs/dbraw/zinc/07/64/26/491076426.db2.gz TYTPFYKZPVBJJK-ZWNOBZJWSA-N 0 3 222.332 3.041 20 0 BGADHN COC[C@@H](CC(C)(C)C)N[C@@H]1CCCC[C@H]1F ZINC000651831158 411146738 /nfs/dbraw/zinc/14/67/38/411146738.db2.gz DWMVBOBHHCDARQ-JHJVBQTASA-N 0 3 245.382 3.308 20 0 BGADHN COC[C@H](CC(C)(C)C)N[C@@H]1CCCC[C@H]1F ZINC000651831159 411146875 /nfs/dbraw/zinc/14/68/75/411146875.db2.gz DWMVBOBHHCDARQ-YNEHKIRRSA-N 0 3 245.382 3.308 20 0 BGADHN C[C@@H]1CC(C)(C)CN1Cc1cc2cnccc2o1 ZINC000651831479 411146919 /nfs/dbraw/zinc/14/69/19/411146919.db2.gz VPFHNNCCYUDKCJ-LLVKDONJSA-N 0 3 244.338 3.448 20 0 BGADHN C[C@H]1CC(C)(C)CN1Cc1cc2cnccc2o1 ZINC000651831480 411146828 /nfs/dbraw/zinc/14/68/28/411146828.db2.gz VPFHNNCCYUDKCJ-NSHDSACASA-N 0 3 244.338 3.448 20 0 BGADHN Cc1ccc(CN[C@@H]2CC23CC3)c(Cl)c1 ZINC000651835340 491076743 /nfs/dbraw/zinc/07/67/43/491076743.db2.gz ICMOYDGTNZQDKV-GFCCVEGCSA-N 0 3 221.731 3.291 20 0 BGADHN Cc1ccc(CN[C@H]2CC23CC3)c(Cl)c1 ZINC000651835341 491076688 /nfs/dbraw/zinc/07/66/88/491076688.db2.gz ICMOYDGTNZQDKV-LBPRGKRZSA-N 0 3 221.731 3.291 20 0 BGADHN c1c2cnccc2oc1CN[C@@H]1C[C@H]1C1CCC1 ZINC000651835671 487839850 /nfs/dbraw/zinc/83/98/50/487839850.db2.gz VOBASYZVVTUVDF-UONOGXRCSA-N 0 3 242.322 3.106 20 0 BGADHN C[C@@H]1CCN(Cc2cc3cnccc3o2)[C@H](C)C1 ZINC000651836004 411146973 /nfs/dbraw/zinc/14/69/73/411146973.db2.gz DUMHBSVBHAIIDV-VXGBXAGGSA-N 0 3 244.338 3.448 20 0 BGADHN Cc1ccccc1C1(NCc2cc[nH]c2)CCC1 ZINC000651862552 487848152 /nfs/dbraw/zinc/84/81/52/487848152.db2.gz WPWSEBZOTZSSRG-UHFFFAOYSA-N 0 3 240.350 3.492 20 0 BGADHN c1cc2cccc(CNC3CSC3)c2s1 ZINC000651863436 487848399 /nfs/dbraw/zinc/84/83/99/487848399.db2.gz IRDQAECZNFSAET-UHFFFAOYSA-N 0 3 235.377 3.106 20 0 BGADHN FC1(CNCc2cccc3ccsc32)CC1 ZINC000651863682 487848254 /nfs/dbraw/zinc/84/82/54/487848254.db2.gz TZRPUKGXPZTVHU-UHFFFAOYSA-N 0 3 235.327 3.493 20 0 BGADHN c1c2cnccc2oc1CN1CCC12CCCC2 ZINC000651872793 411148375 /nfs/dbraw/zinc/14/83/75/411148375.db2.gz CCQLWZRBCQICPV-UHFFFAOYSA-N 0 3 242.322 3.346 20 0 BGADHN Cc1nn(C(C)C)cc1CN1CCC12CCCC2 ZINC000651872812 411148437 /nfs/dbraw/zinc/14/84/37/411148437.db2.gz CWEVNZDZNYIHFN-UHFFFAOYSA-N 0 3 247.386 3.291 20 0 BGADHN COc1ccc(CN2CCC23CCCC3)c(F)c1 ZINC000651872860 411148325 /nfs/dbraw/zinc/14/83/25/411148325.db2.gz FOSVCLWQZPBAAE-UHFFFAOYSA-N 0 3 249.329 3.353 20 0 BGADHN c1cc(CN2CCC23CCCC3)nc2c1CCC2 ZINC000651873076 411148501 /nfs/dbraw/zinc/14/85/01/411148501.db2.gz QBGAQYXFMWYKAF-UHFFFAOYSA-N 0 3 242.366 3.089 20 0 BGADHN c1c2cccnc2oc1CN1CCC12CCCC2 ZINC000651873117 411148570 /nfs/dbraw/zinc/14/85/70/411148570.db2.gz SNXOCFCPGLEKMZ-UHFFFAOYSA-N 0 3 242.322 3.346 20 0 BGADHN Cc1occc1CN1CCC12CCCC2 ZINC000651873176 411148587 /nfs/dbraw/zinc/14/85/87/411148587.db2.gz VWVJNWJHVBPERW-UHFFFAOYSA-N 0 3 205.301 3.107 20 0 BGADHN COc1cc(F)cc(CN2CCC23CCCC3)c1 ZINC000651873236 411148250 /nfs/dbraw/zinc/14/82/50/411148250.db2.gz YPSXOVGAMYPEQL-UHFFFAOYSA-N 0 3 249.329 3.353 20 0 BGADHN CC(C)(C)c1n[nH]cc1CN1CCC12CCCC2 ZINC000651873311 411148457 /nfs/dbraw/zinc/14/84/57/411148457.db2.gz ADPYQKFMVAORCP-UHFFFAOYSA-N 0 3 247.386 3.226 20 0 BGADHN CC(C)(C)n1cc(CN2CCC23CCCC3)cn1 ZINC000651873368 411148414 /nfs/dbraw/zinc/14/84/14/411148414.db2.gz CZOAOOJPJGLJFJ-UHFFFAOYSA-N 0 3 247.386 3.157 20 0 BGADHN CCn1nc(C)c(CN2CCC23CCCC3)c1C ZINC000651873412 411148268 /nfs/dbraw/zinc/14/82/68/411148268.db2.gz FVBWFQVXLHPQBT-UHFFFAOYSA-N 0 3 247.386 3.038 20 0 BGADHN CCc1ccc(CN2CCC23CCCC3)o1 ZINC000651873468 411148434 /nfs/dbraw/zinc/14/84/34/411148434.db2.gz JBSPTNOXTXETPX-UHFFFAOYSA-N 0 3 219.328 3.361 20 0 BGADHN COc1ccsc1CN1CCC12CCCC2 ZINC000651873588 411148315 /nfs/dbraw/zinc/14/83/15/411148315.db2.gz NMCCKNMQPZKJNN-UHFFFAOYSA-N 0 3 237.368 3.275 20 0 BGADHN c1ccc2c(c1)n[nH]c2CN1CCC12CCCC2 ZINC000651873593 411148336 /nfs/dbraw/zinc/14/83/36/411148336.db2.gz NTVDQNDDFASBHP-UHFFFAOYSA-N 0 3 241.338 3.081 20 0 BGADHN c1ccc2c(c1)[nH]nc2CN1CCC12CCCC2 ZINC000651873593 411148335 /nfs/dbraw/zinc/14/83/35/411148335.db2.gz NTVDQNDDFASBHP-UHFFFAOYSA-N 0 3 241.338 3.081 20 0 BGADHN Cc1ccoc1CN1CCC12CCCC2 ZINC000651873605 411148265 /nfs/dbraw/zinc/14/82/65/411148265.db2.gz OCUYAJSFKYGQPJ-UHFFFAOYSA-N 0 3 205.301 3.107 20 0 BGADHN CCc1ncc(CN2CCC23CCCC3)s1 ZINC000651873865 411148635 /nfs/dbraw/zinc/14/86/35/411148635.db2.gz ZXDKOZYVZGUSMV-UHFFFAOYSA-N 0 3 236.384 3.224 20 0 BGADHN Cc1ccc(CN2CCC23CCCC3)o1 ZINC000651873875 411148004 /nfs/dbraw/zinc/14/80/04/411148004.db2.gz AMGYVRWJHVKWOS-UHFFFAOYSA-N 0 3 205.301 3.107 20 0 BGADHN c1cc(CN2CCC23CCCC3)cs1 ZINC000651873908 411148198 /nfs/dbraw/zinc/14/81/98/411148198.db2.gz BYVNSGBMPYFWEB-UHFFFAOYSA-N 0 3 207.342 3.267 20 0 BGADHN COc1ccccc1CN1CCC12CCCC2 ZINC000651873985 411147983 /nfs/dbraw/zinc/14/79/83/411147983.db2.gz FXDYDAYMZWEOSU-UHFFFAOYSA-N 0 3 231.339 3.214 20 0 BGADHN c1cc(CN2CCC23CCCC3)cc2c1OCC2 ZINC000651874387 411148915 /nfs/dbraw/zinc/14/89/15/411148915.db2.gz XNSIYKILFYHXCE-UHFFFAOYSA-N 0 3 243.350 3.140 20 0 BGADHN CC(C)O[C@@H]1CCCN(Cc2ccsc2)C1 ZINC000651897345 411149434 /nfs/dbraw/zinc/14/94/34/411149434.db2.gz YCOWYZUWDYDLJW-CYBMUJFWSA-N 0 3 239.384 3.138 20 0 BGADHN CC(C)O[C@H]1CCCN(Cc2ccsc2)C1 ZINC000651897346 411149428 /nfs/dbraw/zinc/14/94/28/411149428.db2.gz YCOWYZUWDYDLJW-ZDUSSCGKSA-N 0 3 239.384 3.138 20 0 BGADHN CC(C)(C)C[C@@H]1C[C@H]1NCc1ccncc1F ZINC000651911153 487858434 /nfs/dbraw/zinc/85/84/34/487858434.db2.gz DQIBXQBSYVJXJP-WCQYABFASA-N 0 3 236.334 3.135 20 0 BGADHN CCCn1cc(CN[C@@H]2C[C@H]2CC(C)(C)C)cn1 ZINC000651911490 490153392 /nfs/dbraw/zinc/15/33/92/490153392.db2.gz BFHWUFCERPXHGN-UONOGXRCSA-N 0 3 249.402 3.207 20 0 BGADHN CC(C)n1nccc1CN[C@@H]1C[C@H]1CC(C)(C)C ZINC000651911504 490153688 /nfs/dbraw/zinc/15/36/88/490153688.db2.gz CCEFBFKTXUAEEU-GXTWGEPZSA-N 0 3 249.402 3.378 20 0 BGADHN Cc1ncsc1CN[C@@H]1C[C@H]1CC(C)(C)C ZINC000651911570 487859838 /nfs/dbraw/zinc/85/98/38/487859838.db2.gz HUHCQAXWGYUROM-WDEREUQCSA-N 0 3 238.400 3.366 20 0 BGADHN CC(C)(C)C[C@@H]1C[C@H]1NCc1cncs1 ZINC000651911593 487859712 /nfs/dbraw/zinc/85/97/12/487859712.db2.gz KQQPAMCVNLFNEY-GXSJLCMTSA-N 0 3 224.373 3.057 20 0 BGADHN CCc1nocc1CN[C@@H]1C[C@H]1CC(C)(C)C ZINC000651911642 411150177 /nfs/dbraw/zinc/15/01/77/411150177.db2.gz NYMLWXYPSWDSKG-GXFFZTMASA-N 0 3 236.359 3.151 20 0 BGADHN Cc1ccncc1CN[C@@H]1C[C@H]1CC(C)(C)C ZINC000651911673 411150262 /nfs/dbraw/zinc/15/02/62/411150262.db2.gz RCQIYCPJBUCRSF-GXTWGEPZSA-N 0 3 232.371 3.304 20 0 BGADHN Cc1ccc(CN[C@@H]2C[C@H]2CC(C)(C)C)nc1 ZINC000651911675 411150182 /nfs/dbraw/zinc/15/01/82/411150182.db2.gz REXNZDBNTMZWAM-GXTWGEPZSA-N 0 3 232.371 3.304 20 0 BGADHN Cc1ccc([O-])c(C[NH2+][C@@H]2C[C@H]2CC(C)(C)C)n1 ZINC000651911690 411150123 /nfs/dbraw/zinc/15/01/23/411150123.db2.gz RZYWQJYOSBGKEJ-NWDGAFQWSA-N 0 3 248.370 3.010 20 0 BGADHN Cc1ncccc1CN[C@@H]1C[C@H]1CC(C)(C)C ZINC000651911701 411150119 /nfs/dbraw/zinc/15/01/19/411150119.db2.gz SSKPMAIWQSWLCX-UONOGXRCSA-N 0 3 232.371 3.304 20 0 BGADHN COc1ccc(CN[C@@H]2C[C@H]2CC(C)(C)C)cn1 ZINC000651911707 411150139 /nfs/dbraw/zinc/15/01/39/411150139.db2.gz TWFPFXMRYACYHD-QWHCGFSZSA-N 0 3 248.370 3.005 20 0 BGADHN COc1cccc(CN[C@@H]2C[C@H]2CC(C)(C)C)n1 ZINC000651911719 411150198 /nfs/dbraw/zinc/15/01/98/411150198.db2.gz UMEYWLJLAGDUQV-WCQYABFASA-N 0 3 248.370 3.005 20 0 BGADHN CC(C)n1cc(CN[C@@H]2C[C@H]2CC(C)(C)C)cn1 ZINC000651911755 411150165 /nfs/dbraw/zinc/15/01/65/411150165.db2.gz WHPWVLJNRYKGJN-UONOGXRCSA-N 0 3 249.402 3.378 20 0 BGADHN Cc1noc(C)c1CN[C@@H]1C[C@H]1CC(C)(C)C ZINC000651911911 491078548 /nfs/dbraw/zinc/07/85/48/491078548.db2.gz CNZQNWDNYFOVRW-WCQYABFASA-N 0 3 236.359 3.206 20 0 BGADHN CC(C)(C)C[C@@H]1C[C@H]1NCc1cccc(O)c1 ZINC000651912273 411150279 /nfs/dbraw/zinc/15/02/79/411150279.db2.gz REJJWJUICAUOFL-GXTWGEPZSA-N 0 3 233.355 3.307 20 0 BGADHN CC(C)(C)C[C@@H]1C[C@H]1NCc1ccco1 ZINC000651912406 411150328 /nfs/dbraw/zinc/15/03/28/411150328.db2.gz WTLUSPFEAGIAMB-CMPLNLGQSA-N 0 3 207.317 3.194 20 0 BGADHN CC[C@H](NCc1cc[nH]c1)c1ccccc1F ZINC000651932664 411150874 /nfs/dbraw/zinc/15/08/74/411150874.db2.gz ZEPDLEGRRXTJFZ-AWEZNQCLSA-N 0 3 232.302 3.395 20 0 BGADHN CC[C@H](NCc1[nH]ncc1C)c1ccccc1F ZINC000651932725 487870092 /nfs/dbraw/zinc/87/00/92/487870092.db2.gz AKXOPBXJCNWGON-ZDUSSCGKSA-N 0 3 247.317 3.098 20 0 BGADHN CCCc1ccc(CN[C@@H]2C[C@H]3CC[C@@H]2O3)cc1 ZINC000651936995 411151056 /nfs/dbraw/zinc/15/10/56/411151056.db2.gz VMGBCYULQDTDAO-OAGGEKHMSA-N 0 3 245.366 3.049 20 0 BGADHN CCN(Cc1ccsc1C)[C@@H]1CCCOC1 ZINC000651948240 411160038 /nfs/dbraw/zinc/16/00/38/411160038.db2.gz GREBYBMAHHDINA-CYBMUJFWSA-N 0 3 239.384 3.057 20 0 BGADHN CCN(Cc1ccsc1C)[C@H]1CCCOC1 ZINC000651948241 411160062 /nfs/dbraw/zinc/16/00/62/411160062.db2.gz GREBYBMAHHDINA-ZDUSSCGKSA-N 0 3 239.384 3.057 20 0 BGADHN CCN(Cc1sccc1C)[C@@H]1CCCOC1 ZINC000651948404 411159967 /nfs/dbraw/zinc/15/99/67/411159967.db2.gz LJECOAUNTNAYGJ-GFCCVEGCSA-N 0 3 239.384 3.057 20 0 BGADHN CCN(Cc1sccc1C)[C@H]1CCCOC1 ZINC000651948405 411160106 /nfs/dbraw/zinc/16/01/06/411160106.db2.gz LJECOAUNTNAYGJ-LBPRGKRZSA-N 0 3 239.384 3.057 20 0 BGADHN CCN(Cc1ccc(C)s1)[C@@H]1CCCOC1 ZINC000651948651 411159524 /nfs/dbraw/zinc/15/95/24/411159524.db2.gz RUHVNAHYQITVAT-GFCCVEGCSA-N 0 3 239.384 3.057 20 0 BGADHN CCN(Cc1ccc(C)s1)[C@H]1CCCOC1 ZINC000651948652 411160170 /nfs/dbraw/zinc/16/01/70/411160170.db2.gz RUHVNAHYQITVAT-LBPRGKRZSA-N 0 3 239.384 3.057 20 0 BGADHN CCN(Cc1csc(C)c1)[C@@H]1CCCOC1 ZINC000651948811 411159728 /nfs/dbraw/zinc/15/97/28/411159728.db2.gz XDHOQLTUQVMPTQ-CYBMUJFWSA-N 0 3 239.384 3.057 20 0 BGADHN CCN(Cc1csc(C)c1)[C@H]1CCCOC1 ZINC000651948812 411159854 /nfs/dbraw/zinc/15/98/54/411159854.db2.gz XDHOQLTUQVMPTQ-ZDUSSCGKSA-N 0 3 239.384 3.057 20 0 BGADHN CC(C)N[C@@H]1CC(C)(C)Oc2ccc(F)cc21 ZINC000651949393 411159752 /nfs/dbraw/zinc/15/97/52/411159752.db2.gz KGRFZIFJLYENLJ-GFCCVEGCSA-N 0 3 237.318 3.426 20 0 BGADHN CC(C)N[C@H]1CC(C)(C)Oc2ccc(F)cc21 ZINC000651949394 411159911 /nfs/dbraw/zinc/15/99/11/411159911.db2.gz KGRFZIFJLYENLJ-LBPRGKRZSA-N 0 3 237.318 3.426 20 0 BGADHN CC1(C)C[C@@H](NCC2CC2)c2cc(F)ccc2O1 ZINC000651949663 411159775 /nfs/dbraw/zinc/15/97/75/411159775.db2.gz QRMHYMGRVPYSBT-CYBMUJFWSA-N 0 3 249.329 3.428 20 0 BGADHN CC1(C)C[C@H](NCC2CC2)c2cc(F)ccc2O1 ZINC000651949664 411159782 /nfs/dbraw/zinc/15/97/82/411159782.db2.gz QRMHYMGRVPYSBT-ZDUSSCGKSA-N 0 3 249.329 3.428 20 0 BGADHN Cc1occc1CN1CCC2(CC2(F)F)CC1 ZINC000651953239 409573611 /nfs/dbraw/zinc/57/36/11/409573611.db2.gz YGTZXNQZCITVJA-UHFFFAOYSA-N 0 3 241.281 3.209 20 0 BGADHN Cc1ccc(CN2CCC3(CC3(F)F)CC2)o1 ZINC000651953368 490044012 /nfs/dbraw/zinc/04/40/12/490044012.db2.gz FAUKUPNLFOLOFY-UHFFFAOYSA-N 0 3 241.281 3.209 20 0 BGADHN FC1(F)CC12CCN(Cc1ccsc1)CC2 ZINC000651953594 491085281 /nfs/dbraw/zinc/08/52/81/491085281.db2.gz NLEBEWOTWJVEOM-UHFFFAOYSA-N 0 3 243.322 3.369 20 0 BGADHN Cc1ccoc1CN1CCC2(CC2(F)F)CC1 ZINC000651953686 487517273 /nfs/dbraw/zinc/51/72/73/487517273.db2.gz RYQGIAWCEQKVQA-UHFFFAOYSA-N 0 3 241.281 3.209 20 0 BGADHN COc1ccc(F)c(CNC2(C3CCC3)CC2)c1 ZINC000651958483 409687758 /nfs/dbraw/zinc/68/77/58/409687758.db2.gz BONAMZSJFLJYMR-UHFFFAOYSA-N 0 3 249.329 3.257 20 0 BGADHN c1c2cccnc2oc1CNC1(C2CCC2)CC1 ZINC000651958533 409687814 /nfs/dbraw/zinc/68/78/14/409687814.db2.gz DPHLYHBGTKWBJB-UHFFFAOYSA-N 0 3 242.322 3.250 20 0 BGADHN Cc1nn(C(C)C)cc1CNC1(C2CCC2)CC1 ZINC000651958560 409686241 /nfs/dbraw/zinc/68/62/41/409686241.db2.gz FXQSTTKCOXQEGC-UHFFFAOYSA-N 0 3 247.386 3.195 20 0 BGADHN Cc1occc1CNC1(C2CCC2)CC1 ZINC000651958568 409685944 /nfs/dbraw/zinc/68/59/44/409685944.db2.gz GJEIYNQSLJDCIP-UHFFFAOYSA-N 0 3 205.301 3.010 20 0 BGADHN c1nc(C2CC2)c(CNC2(C3CCC3)CC2)s1 ZINC000651958570 409686015 /nfs/dbraw/zinc/68/60/15/409686015.db2.gz GLDISQMLFAXJOX-UHFFFAOYSA-N 0 3 248.395 3.443 20 0 BGADHN c1c2cnccc2oc1CNC1(C2CCC2)CC1 ZINC000651958604 409690634 /nfs/dbraw/zinc/69/06/34/409690634.db2.gz IVBVVSUALGFBGH-UHFFFAOYSA-N 0 3 242.322 3.250 20 0 BGADHN COc1ccc(CNC2(C3CCC3)CC2)c(F)c1 ZINC000651958663 409693852 /nfs/dbraw/zinc/69/38/52/409693852.db2.gz MJDQQLZHHHTZII-UHFFFAOYSA-N 0 3 249.329 3.257 20 0 BGADHN COc1cc(C)ccc1CNC1(C2CCC2)CC1 ZINC000651958759 490065245 /nfs/dbraw/zinc/06/52/45/490065245.db2.gz QVLLTRPIVJLRFE-UHFFFAOYSA-N 0 3 245.366 3.426 20 0 BGADHN CCc1cnc(CNC2(C3CCC3)CC2)s1 ZINC000651958772 490065224 /nfs/dbraw/zinc/06/52/24/490065224.db2.gz RIIRYRZIJZYUJG-UHFFFAOYSA-N 0 3 236.384 3.128 20 0 BGADHN COc1cccc(CNC2(C3CCC3)CC2)c1F ZINC000651958866 409699672 /nfs/dbraw/zinc/69/96/72/409699672.db2.gz VTNSTJODOGATIY-UHFFFAOYSA-N 0 3 249.329 3.257 20 0 BGADHN C(NC1(C2CCC2)CC1)c1nc2c(s1)CCC2 ZINC000651958870 409699815 /nfs/dbraw/zinc/69/98/15/409699815.db2.gz VVYMHJOEJRSPMQ-UHFFFAOYSA-N 0 3 248.395 3.054 20 0 BGADHN Cc1ccoc1CNC1(C2CCC2)CC1 ZINC000651959224 409728380 /nfs/dbraw/zinc/72/83/80/409728380.db2.gz DROGHKMGPCJEEW-UHFFFAOYSA-N 0 3 205.301 3.010 20 0 BGADHN CCc1ccc(CNC2(C3CCC3)CC2)o1 ZINC000651959231 409730241 /nfs/dbraw/zinc/73/02/41/409730241.db2.gz FAKRYWBIMLHFFJ-UHFFFAOYSA-N 0 3 219.328 3.264 20 0 BGADHN CC(C)(C)n1cc(CNC2(C3CCC3)CC2)cn1 ZINC000651959286 409739072 /nfs/dbraw/zinc/73/90/72/409739072.db2.gz GXTAJDHNKAPYDI-UHFFFAOYSA-N 0 3 247.386 3.060 20 0 BGADHN Cc1ccc2c(c1)[C@H](NCC1(F)CC1)CC2 ZINC000651959294 409739226 /nfs/dbraw/zinc/73/92/26/409739226.db2.gz HCBURQVBHZMPHO-CYBMUJFWSA-N 0 3 219.303 3.074 20 0 BGADHN Cc1ccc2c(c1)[C@@H](NCC1(F)CC1)CC2 ZINC000651959295 409738194 /nfs/dbraw/zinc/73/81/94/409738194.db2.gz HCBURQVBHZMPHO-ZDUSSCGKSA-N 0 3 219.303 3.074 20 0 BGADHN CCc1ncc(CNC2(C3CCC3)CC2)s1 ZINC000651959407 409745281 /nfs/dbraw/zinc/74/52/81/409745281.db2.gz LEDAAABYLDWEOR-UHFFFAOYSA-N 0 3 236.384 3.128 20 0 BGADHN Clc1ccc(CNC2(C3CCC3)CC2)o1 ZINC000651959417 409745768 /nfs/dbraw/zinc/74/57/68/409745768.db2.gz LNGCIQWFCNIUKO-UHFFFAOYSA-N 0 3 225.719 3.355 20 0 BGADHN Cc1ccc(CNC2(C3CCC3)CC2)o1 ZINC000651959438 409747053 /nfs/dbraw/zinc/74/70/53/409747053.db2.gz MFETVYFXSBECDE-UHFFFAOYSA-N 0 3 205.301 3.010 20 0 BGADHN COc1ccccc1CNC1(C2CCC2)CC1 ZINC000651959519 409750123 /nfs/dbraw/zinc/75/01/23/409750123.db2.gz PYKKWJIBVOUPAF-UHFFFAOYSA-N 0 3 231.339 3.118 20 0 BGADHN COc1ccsc1CNC1(C2CCC2)CC1 ZINC000651959532 409749043 /nfs/dbraw/zinc/74/90/43/409749043.db2.gz QNRFUYDGWNVNCG-UHFFFAOYSA-N 0 3 237.368 3.179 20 0 BGADHN c1nc(C2CC2)sc1CNC1(C2CCC2)CC1 ZINC000651959676 409757971 /nfs/dbraw/zinc/75/79/71/409757971.db2.gz YFIXGWOSASZOEX-UHFFFAOYSA-N 0 3 248.395 3.443 20 0 BGADHN Cc1ccccc1C1(N[C@@H]2CO[C@@H](C)C2)CCC1 ZINC000651974655 409963077 /nfs/dbraw/zinc/96/30/77/409963077.db2.gz KZFXPBSWKXFBKO-KBPBESRZSA-N 0 3 245.366 3.141 20 0 BGADHN Cc1ccccc1C1(N[C@@H]2CO[C@H](C)C2)CCC1 ZINC000651974656 409964417 /nfs/dbraw/zinc/96/44/17/409964417.db2.gz KZFXPBSWKXFBKO-KGLIPLIRSA-N 0 3 245.366 3.141 20 0 BGADHN Cc1ccccc1C1(N[C@H]2CO[C@@H](C)C2)CCC1 ZINC000651974657 409964488 /nfs/dbraw/zinc/96/44/88/409964488.db2.gz KZFXPBSWKXFBKO-UONOGXRCSA-N 0 3 245.366 3.141 20 0 BGADHN Cc1ccccc1C1(N[C@H]2CO[C@H](C)C2)CCC1 ZINC000651974658 409963335 /nfs/dbraw/zinc/96/33/35/409963335.db2.gz KZFXPBSWKXFBKO-ZIAGYGMSSA-N 0 3 245.366 3.141 20 0 BGADHN C[C@@H]1CN(CC2(F)CC2)CCc2ccccc21 ZINC000651977015 409978739 /nfs/dbraw/zinc/97/87/39/409978739.db2.gz OUVIWIARNAFMLI-GFCCVEGCSA-N 0 3 233.330 3.150 20 0 BGADHN C[C@H]1CN(CC2(F)CC2)CCc2ccccc21 ZINC000651977016 409978359 /nfs/dbraw/zinc/97/83/59/409978359.db2.gz OUVIWIARNAFMLI-LBPRGKRZSA-N 0 3 233.330 3.150 20 0 BGADHN CCc1ccc(CN[C@H](C)COCC2CC2)cc1 ZINC000651981166 410119457 /nfs/dbraw/zinc/11/94/57/410119457.db2.gz ABDCUDBRENAKFT-CYBMUJFWSA-N 0 3 247.382 3.154 20 0 BGADHN CCc1ccc(CN[C@@H](C)COCC2CC2)cc1 ZINC000651981167 410119692 /nfs/dbraw/zinc/11/96/92/410119692.db2.gz ABDCUDBRENAKFT-ZDUSSCGKSA-N 0 3 247.382 3.154 20 0 BGADHN Cc1ccc(CN[C@@H](C)COCC2CC2)cc1C ZINC000651981250 410119680 /nfs/dbraw/zinc/11/96/80/410119680.db2.gz FCPVKOMSHIFMLT-AWEZNQCLSA-N 0 3 247.382 3.208 20 0 BGADHN Cc1ccc(CN[C@H](C)COCC2CC2)cc1C ZINC000651981251 410119504 /nfs/dbraw/zinc/11/95/04/410119504.db2.gz FCPVKOMSHIFMLT-CQSZACIVSA-N 0 3 247.382 3.208 20 0 BGADHN Cc1ccc(C)c(CN[C@@H](C)COCC2CC2)c1 ZINC000651981314 410119475 /nfs/dbraw/zinc/11/94/75/410119475.db2.gz HJRVFNPZRYEKGT-AWEZNQCLSA-N 0 3 247.382 3.208 20 0 BGADHN Cc1ccc(C)c(CN[C@H](C)COCC2CC2)c1 ZINC000651981315 410119573 /nfs/dbraw/zinc/11/95/73/410119573.db2.gz HJRVFNPZRYEKGT-CQSZACIVSA-N 0 3 247.382 3.208 20 0 BGADHN Cc1ccc(CN[C@@H](C)COCC2CC2)c(C)c1 ZINC000651981410 410120665 /nfs/dbraw/zinc/12/06/65/410120665.db2.gz LKNKTSABTDQZNI-AWEZNQCLSA-N 0 3 247.382 3.208 20 0 BGADHN Cc1ccc(CN[C@H](C)COCC2CC2)c(C)c1 ZINC000651981411 410120630 /nfs/dbraw/zinc/12/06/30/410120630.db2.gz LKNKTSABTDQZNI-CQSZACIVSA-N 0 3 247.382 3.208 20 0 BGADHN Cc1cccc(CN[C@H](C)COCC2CC2)c1C ZINC000651981729 410121966 /nfs/dbraw/zinc/12/19/66/410121966.db2.gz ZNXAFDYTFWLVJO-CYBMUJFWSA-N 0 3 247.382 3.208 20 0 BGADHN Cc1cccc(CN[C@@H](C)COCC2CC2)c1C ZINC000651981730 410121834 /nfs/dbraw/zinc/12/18/34/410121834.db2.gz ZNXAFDYTFWLVJO-ZDUSSCGKSA-N 0 3 247.382 3.208 20 0 BGADHN Cc1cc(C)cc(CN[C@@H](C)COCC2CC2)c1 ZINC000651982110 410123484 /nfs/dbraw/zinc/12/34/84/410123484.db2.gz MCVDPXHRGAQVLF-AWEZNQCLSA-N 0 3 247.382 3.208 20 0 BGADHN Cc1cc(C)cc(CN[C@H](C)COCC2CC2)c1 ZINC000651982111 410123529 /nfs/dbraw/zinc/12/35/29/410123529.db2.gz MCVDPXHRGAQVLF-CQSZACIVSA-N 0 3 247.382 3.208 20 0 BGADHN C[C@H](COCC1CC1)NC/C=C\c1ccccc1 ZINC000651982135 410123332 /nfs/dbraw/zinc/12/33/32/410123332.db2.gz NGZICNPGCSSNNV-BMWLXYDHSA-N 0 3 245.366 3.105 20 0 BGADHN C[C@@H](COCC1CC1)NC/C=C/c1ccccc1 ZINC000651982136 410123186 /nfs/dbraw/zinc/12/31/86/410123186.db2.gz NGZICNPGCSSNNV-GPAKFWEMSA-N 0 3 245.366 3.105 20 0 BGADHN C[C@H](COCC1CC1)NC/C=C/c1ccccc1 ZINC000651982137 410123515 /nfs/dbraw/zinc/12/35/15/410123515.db2.gz NGZICNPGCSSNNV-LHRNQBEKSA-N 0 3 245.366 3.105 20 0 BGADHN C[C@@H](COCC1CC1)NC/C=C\c1ccccc1 ZINC000651982138 410122741 /nfs/dbraw/zinc/12/27/41/410122741.db2.gz NGZICNPGCSSNNV-PODYEWJSSA-N 0 3 245.366 3.105 20 0 BGADHN C[C@H](NC1(C2CCC2)CC1)c1cncc(F)c1 ZINC000651984104 410133529 /nfs/dbraw/zinc/13/35/29/410133529.db2.gz SZHQPNVOOFFVHK-JTQLQIEISA-N 0 3 234.318 3.204 20 0 BGADHN C[C@@H](NC1(C2CCC2)CC1)c1cncc(F)c1 ZINC000651984105 410134038 /nfs/dbraw/zinc/13/40/38/410134038.db2.gz SZHQPNVOOFFVHK-SNVBAGLBSA-N 0 3 234.318 3.204 20 0 BGADHN CCc1cccc(CN[C@H](C)COCC2CC2)c1 ZINC000651984149 410133677 /nfs/dbraw/zinc/13/36/77/410133677.db2.gz VFGDKXJXXDPUSB-CYBMUJFWSA-N 0 3 247.382 3.154 20 0 BGADHN CCc1cccc(CN[C@@H](C)COCC2CC2)c1 ZINC000651984150 410134019 /nfs/dbraw/zinc/13/40/19/410134019.db2.gz VFGDKXJXXDPUSB-ZDUSSCGKSA-N 0 3 247.382 3.154 20 0 BGADHN CCc1cccc(CNCc2cccnc2C)c1 ZINC000652032845 411082654 /nfs/dbraw/zinc/08/26/54/411082654.db2.gz GKJVGVIANAMVOQ-UHFFFAOYSA-N 0 3 240.350 3.242 20 0 BGADHN CCc1cccc(CN[C@H](C)COC(C)C)c1 ZINC000652032878 411084299 /nfs/dbraw/zinc/08/42/99/411084299.db2.gz JKLZMSSJCSASIX-CYBMUJFWSA-N 0 3 235.371 3.152 20 0 BGADHN CCc1cccc(CN[C@@H](C)COC(C)C)c1 ZINC000652032879 411083271 /nfs/dbraw/zinc/08/32/71/411083271.db2.gz JKLZMSSJCSASIX-ZDUSSCGKSA-N 0 3 235.371 3.152 20 0 BGADHN CCc1cccc(CNCc2ccncc2C)c1 ZINC000652032894 411083828 /nfs/dbraw/zinc/08/38/28/411083828.db2.gz KKSXBBUKICORKZ-UHFFFAOYSA-N 0 3 240.350 3.242 20 0 BGADHN CC(C)(C)c1n[nH]cc1CNC1CC2(CCC2)C1 ZINC000652041593 411090641 /nfs/dbraw/zinc/09/06/41/411090641.db2.gz JKAZWPCBXYRKGF-UHFFFAOYSA-N 0 3 247.386 3.130 20 0 BGADHN Cc1ccc(CNC2CC3(CCC3)C2)o1 ZINC000652041615 411090864 /nfs/dbraw/zinc/09/08/64/411090864.db2.gz KRDXPWSCJOWGPR-UHFFFAOYSA-N 0 3 205.301 3.010 20 0 BGADHN Fc1cccc(CNC2CC3(CCC3)C2)c1F ZINC000652041681 411090816 /nfs/dbraw/zinc/09/08/16/411090816.db2.gz NAHWLVRIFJPWIE-UHFFFAOYSA-N 0 3 237.293 3.387 20 0 BGADHN CC(C)(C)n1cc(CNC2CC3(CCC3)C2)cn1 ZINC000652041886 411092773 /nfs/dbraw/zinc/09/27/73/411092773.db2.gz VVZBVYKIFMMSFN-UHFFFAOYSA-N 0 3 247.386 3.060 20 0 BGADHN c1c2cccnc2oc1CNC1CC2(CCC2)C1 ZINC000652042081 411092551 /nfs/dbraw/zinc/09/25/51/411092551.db2.gz DPBFQUPOMIIMHF-UHFFFAOYSA-N 0 3 242.322 3.250 20 0 BGADHN CCc1ccc(CNC2CC3(CCC3)C2)o1 ZINC000652042125 411092208 /nfs/dbraw/zinc/09/22/08/411092208.db2.gz IIWDIZFIOTVXMW-UHFFFAOYSA-N 0 3 219.328 3.264 20 0 BGADHN Cc1nn(C(C)C)cc1CNC1CC2(CCC2)C1 ZINC000652042142 411092478 /nfs/dbraw/zinc/09/24/78/411092478.db2.gz JWUHGWZNURNNEV-UHFFFAOYSA-N 0 3 247.386 3.195 20 0 BGADHN c1nc(C2CC2)sc1CNC1CC2(CCC2)C1 ZINC000652042153 411092798 /nfs/dbraw/zinc/09/27/98/411092798.db2.gz KPXXMBGJGFSMRA-UHFFFAOYSA-N 0 3 248.395 3.443 20 0 BGADHN C(NC1CC2(CCC2)C1)c1nc2c(s1)CCC2 ZINC000652042183 411092194 /nfs/dbraw/zinc/09/21/94/411092194.db2.gz MIWNIHYASZSUQT-UHFFFAOYSA-N 0 3 248.395 3.054 20 0 BGADHN c1nc(C2CC2)c(CNC2CC3(CCC3)C2)s1 ZINC000652042186 411092488 /nfs/dbraw/zinc/09/24/88/411092488.db2.gz MMLCTUUYDWBYEQ-UHFFFAOYSA-N 0 3 248.395 3.443 20 0 BGADHN COc1ccc(F)c(CNC2CC3(CCC3)C2)c1 ZINC000652042215 411091827 /nfs/dbraw/zinc/09/18/27/411091827.db2.gz ONYSFMMOWVCDEH-UHFFFAOYSA-N 0 3 249.329 3.257 20 0 BGADHN CCc1ncc(CNC2CC3(CCC3)C2)s1 ZINC000652042279 411092749 /nfs/dbraw/zinc/09/27/49/411092749.db2.gz VOGUXSKLSCDRRZ-UHFFFAOYSA-N 0 3 236.384 3.128 20 0 BGADHN c1c2cnccc2oc1CNC1CC2(CCC2)C1 ZINC000652042301 411091741 /nfs/dbraw/zinc/09/17/41/411091741.db2.gz XWWGJMITFVYJTR-UHFFFAOYSA-N 0 3 242.322 3.250 20 0 BGADHN COc1ccsc1CNC1CC2(CCC2)C1 ZINC000652042311 411092009 /nfs/dbraw/zinc/09/20/09/411092009.db2.gz YHDRUZJMILOGAD-UHFFFAOYSA-N 0 3 237.368 3.179 20 0 BGADHN COc1cccc(CNC2CC3(CCC3)C2)c1F ZINC000652042315 411092522 /nfs/dbraw/zinc/09/25/22/411092522.db2.gz YKZDCIHOYSJINO-UHFFFAOYSA-N 0 3 249.329 3.257 20 0 BGADHN Cc1c[nH]nc1CN[C@@H](C)[C@@H]1CC2CCC1CC2 ZINC000652042983 411091937 /nfs/dbraw/zinc/09/19/37/411091937.db2.gz MGSPFFBFORYPTA-ABXWRUBCSA-N 0 3 247.386 3.023 20 0 BGADHN Cc1c[nH]nc1CN[C@H](C)[C@H]1CC2CCC1CC2 ZINC000652042984 411092831 /nfs/dbraw/zinc/09/28/31/411092831.db2.gz MGSPFFBFORYPTA-BLYZHGLHSA-N 0 3 247.386 3.023 20 0 BGADHN Cc1c[nH]nc1CN[C@@H](C)[C@H]1CC2CCC1CC2 ZINC000652042985 411091868 /nfs/dbraw/zinc/09/18/68/411091868.db2.gz MGSPFFBFORYPTA-GFJIZPEISA-N 0 3 247.386 3.023 20 0 BGADHN Cc1c[nH]nc1CN[C@H](C)[C@@H]1CC2CCC1CC2 ZINC000652042986 411092260 /nfs/dbraw/zinc/09/22/60/411092260.db2.gz MGSPFFBFORYPTA-RYSNWHEDSA-N 0 3 247.386 3.023 20 0 BGADHN c1cnc2c(c1)CCC[C@@H]2NC1CC2(CCC2)C1 ZINC000652050597 411096870 /nfs/dbraw/zinc/09/68/70/411096870.db2.gz HKTKIJMSLXNLNA-AWEZNQCLSA-N 0 3 242.366 3.381 20 0 BGADHN c1cnc2c(c1)CCC[C@H]2NC1CC2(CCC2)C1 ZINC000652050598 411097786 /nfs/dbraw/zinc/09/77/86/411097786.db2.gz HKTKIJMSLXNLNA-CQSZACIVSA-N 0 3 242.366 3.381 20 0 BGADHN Cc1ccc(CN2CC[C@@]3(CC3(F)F)C2)s1 ZINC000652062538 411103414 /nfs/dbraw/zinc/10/34/14/411103414.db2.gz NMRKQBUBOVKGIA-LLVKDONJSA-N 0 3 243.322 3.288 20 0 BGADHN Cc1ccc(CN2CC[C@]3(CC3(F)F)C2)s1 ZINC000652062539 411103994 /nfs/dbraw/zinc/10/39/94/411103994.db2.gz NMRKQBUBOVKGIA-NSHDSACASA-N 0 3 243.322 3.288 20 0 BGADHN Cc1ccsc1CN1CC[C@@]2(CC2(F)F)C1 ZINC000652062657 411103534 /nfs/dbraw/zinc/10/35/34/411103534.db2.gz RKEZPTQVZPZJBE-LLVKDONJSA-N 0 3 243.322 3.288 20 0 BGADHN Cc1ccsc1CN1CC[C@]2(CC2(F)F)C1 ZINC000652062658 411103977 /nfs/dbraw/zinc/10/39/77/411103977.db2.gz RKEZPTQVZPZJBE-NSHDSACASA-N 0 3 243.322 3.288 20 0 BGADHN CCc1ccc(CN2CC[C@@]3(CC3(F)F)C2)o1 ZINC000652063637 411104124 /nfs/dbraw/zinc/10/41/24/411104124.db2.gz QRBHXAUIQPWKNP-GFCCVEGCSA-N 0 3 241.281 3.073 20 0 BGADHN CCc1ccc(CN2CC[C@]3(CC3(F)F)C2)o1 ZINC000652063638 411103701 /nfs/dbraw/zinc/10/37/01/411103701.db2.gz QRBHXAUIQPWKNP-LBPRGKRZSA-N 0 3 241.281 3.073 20 0 BGADHN Cc1cc(CN2CC[C@@]3(CC3(F)F)C2)cs1 ZINC000652064242 411103513 /nfs/dbraw/zinc/10/35/13/411103513.db2.gz JDULNTOAQYKUFH-LLVKDONJSA-N 0 3 243.322 3.288 20 0 BGADHN Cc1cc(CN2CC[C@]3(CC3(F)F)C2)cs1 ZINC000652064243 411104347 /nfs/dbraw/zinc/10/43/47/411104347.db2.gz JDULNTOAQYKUFH-NSHDSACASA-N 0 3 243.322 3.288 20 0 BGADHN Cc1sccc1CN1CC[C@@]2(CC2(F)F)C1 ZINC000652064244 411103175 /nfs/dbraw/zinc/10/31/75/411103175.db2.gz JEALIDIGQGAGRG-LLVKDONJSA-N 0 3 243.322 3.288 20 0 BGADHN Cc1sccc1CN1CC[C@]2(CC2(F)F)C1 ZINC000652064245 411103397 /nfs/dbraw/zinc/10/33/97/411103397.db2.gz JEALIDIGQGAGRG-NSHDSACASA-N 0 3 243.322 3.288 20 0 BGADHN F[C@@H]1CCCN(C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000652076851 411109530 /nfs/dbraw/zinc/10/95/30/411109530.db2.gz BJBNAUUMUAFXEI-KFWWJZLASA-N 0 3 233.330 3.224 20 0 BGADHN F[C@@H]1CCCN(C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000652076852 411109631 /nfs/dbraw/zinc/10/96/31/411109631.db2.gz BJBNAUUMUAFXEI-RBSFLKMASA-N 0 3 233.330 3.224 20 0 BGADHN F[C@@H]1CCCN(C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000652076853 411109705 /nfs/dbraw/zinc/10/97/05/411109705.db2.gz BJBNAUUMUAFXEI-RRFJBIMHSA-N 0 3 233.330 3.224 20 0 BGADHN COCCN[C@@H](CC(C)C)c1ccc(F)cc1 ZINC000652132964 411125060 /nfs/dbraw/zinc/12/50/60/411125060.db2.gz CESYJKSACAURBE-AWEZNQCLSA-N 0 3 239.334 3.149 20 0 BGADHN COCCN[C@H](CC(C)C)c1ccc(F)cc1 ZINC000652132965 411125057 /nfs/dbraw/zinc/12/50/57/411125057.db2.gz CESYJKSACAURBE-CQSZACIVSA-N 0 3 239.334 3.149 20 0 BGADHN CC(C)C[C@@H](NCCF)c1ccc(F)cc1 ZINC000652196359 490170096 /nfs/dbraw/zinc/17/00/96/490170096.db2.gz QBSNUKSZHXVERV-CYBMUJFWSA-N 0 3 227.298 3.472 20 0 BGADHN CC(C)C[C@H](NCCF)c1ccc(F)cc1 ZINC000652196360 490170470 /nfs/dbraw/zinc/17/04/70/490170470.db2.gz QBSNUKSZHXVERV-ZDUSSCGKSA-N 0 3 227.298 3.472 20 0 BGADHN Cc1cc([C@@H](C)N[C@@H]2C[C@H]2CC(C)(C)C)nn1C ZINC000652240505 411178555 /nfs/dbraw/zinc/17/85/55/411178555.db2.gz DJBXLPQOVMEYKI-MBNYWOFBSA-N 0 3 249.402 3.204 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2C[C@H]2CC(C)(C)C)nn1C ZINC000652240506 411178281 /nfs/dbraw/zinc/17/82/81/411178281.db2.gz DJBXLPQOVMEYKI-SGMGOOAPSA-N 0 3 249.402 3.204 20 0 BGADHN CC[C@H](N[C@@H]1C[C@H]1CC(C)(C)C)c1nccn1C ZINC000652240661 411178169 /nfs/dbraw/zinc/17/81/69/411178169.db2.gz KLTLNOUVZVCJRL-RWMBFGLXSA-N 0 3 249.402 3.286 20 0 BGADHN CC[C@@H](N[C@@H]1C[C@H]1CC(C)(C)C)c1nccn1C ZINC000652240662 411178679 /nfs/dbraw/zinc/17/86/79/411178679.db2.gz KLTLNOUVZVCJRL-YNEHKIRRSA-N 0 3 249.402 3.286 20 0 BGADHN C[C@H]1C[C@H](N[C@@H]2C[C@H]2CC(C)(C)C)c2nccn21 ZINC000652240895 411178796 /nfs/dbraw/zinc/17/87/96/411178796.db2.gz PNZVNHDVEYMQJJ-RVMXOQNASA-N 0 3 247.386 3.303 20 0 BGADHN C[C@H]1C[C@@H](N[C@@H]2C[C@H]2CC(C)(C)C)c2nccn21 ZINC000652240896 411178261 /nfs/dbraw/zinc/17/82/61/411178261.db2.gz PNZVNHDVEYMQJJ-WUHRBBMRSA-N 0 3 247.386 3.303 20 0 BGADHN C[C@@H]1C[C@H](N[C@@H]2C[C@H]2CC(C)(C)C)c2nccn21 ZINC000652240897 411178851 /nfs/dbraw/zinc/17/88/51/411178851.db2.gz PNZVNHDVEYMQJJ-XQHKEYJVSA-N 0 3 247.386 3.303 20 0 BGADHN C[C@@H]1C[C@@H](N[C@@H]2C[C@H]2CC(C)(C)C)c2nccn21 ZINC000652240898 411178790 /nfs/dbraw/zinc/17/87/90/411178790.db2.gz PNZVNHDVEYMQJJ-YVECIDJPSA-N 0 3 247.386 3.303 20 0 BGADHN Cc1nccnc1[C@@H](C)N[C@@H]1C[C@H]1CC(C)(C)C ZINC000652240990 411178245 /nfs/dbraw/zinc/17/82/45/411178245.db2.gz SEJFHCWRUDCDKN-FRRDWIJNSA-N 0 3 247.386 3.260 20 0 BGADHN Cc1nccnc1[C@H](C)N[C@@H]1C[C@H]1CC(C)(C)C ZINC000652240991 411178002 /nfs/dbraw/zinc/17/80/02/411178002.db2.gz SEJFHCWRUDCDKN-RWMBFGLXSA-N 0 3 247.386 3.260 20 0 BGADHN CCn1ccnc1[C@@H](C)N[C@@H]1C[C@H]1CC(C)(C)C ZINC000652241141 411179134 /nfs/dbraw/zinc/17/91/34/411179134.db2.gz XEVQDQYINXSEFW-FRRDWIJNSA-N 0 3 249.402 3.378 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@@H]1C[C@H]1CC(C)(C)C ZINC000652241142 411179127 /nfs/dbraw/zinc/17/91/27/411179127.db2.gz XEVQDQYINXSEFW-RWMBFGLXSA-N 0 3 249.402 3.378 20 0 BGADHN CC[C@@H](N[C@@H]1C[C@H]1CC(C)(C)C)c1ccn(C)n1 ZINC000652241154 411179095 /nfs/dbraw/zinc/17/90/95/411179095.db2.gz XPKBKJMESMSLBK-OUCADQQQSA-N 0 3 249.402 3.286 20 0 BGADHN CC[C@H](N[C@@H]1C[C@H]1CC(C)(C)C)c1ccn(C)n1 ZINC000652241155 411179121 /nfs/dbraw/zinc/17/91/21/411179121.db2.gz XPKBKJMESMSLBK-SGMGOOAPSA-N 0 3 249.402 3.286 20 0 BGADHN CCn1cc([C@@H](C)N[C@@H]2C[C@H]2CC(C)(C)C)cn1 ZINC000652241394 487888112 /nfs/dbraw/zinc/88/81/12/487888112.db2.gz HREUXWAZEDGUSI-MBNYWOFBSA-N 0 3 249.402 3.378 20 0 BGADHN CCn1cc([C@H](C)N[C@@H]2C[C@H]2CC(C)(C)C)cn1 ZINC000652241395 487888076 /nfs/dbraw/zinc/88/80/76/487888076.db2.gz HREUXWAZEDGUSI-SGMGOOAPSA-N 0 3 249.402 3.378 20 0 BGADHN Cc1nn(C)cc1[C@@H](C)N[C@@H]1C[C@H]1CC(C)(C)C ZINC000652241510 487887464 /nfs/dbraw/zinc/88/74/64/487887464.db2.gz MTOASDMBBBZKFC-SCDSUCTJSA-N 0 3 249.402 3.204 20 0 BGADHN Cc1nn(C)cc1[C@H](C)N[C@@H]1C[C@H]1CC(C)(C)C ZINC000652241511 487887849 /nfs/dbraw/zinc/88/78/49/487887849.db2.gz MTOASDMBBBZKFC-VHRBIJSZSA-N 0 3 249.402 3.204 20 0 BGADHN Cc1n[nH]cc1[C@@H](C)N[C@@H]1C[C@H]1CC(C)(C)C ZINC000652241540 487888250 /nfs/dbraw/zinc/88/82/50/487888250.db2.gz NSNCHZDTZVAHCP-SUZMYJTESA-N 0 3 235.375 3.193 20 0 BGADHN Cc1n[nH]cc1[C@H](C)N[C@@H]1C[C@H]1CC(C)(C)C ZINC000652241541 487887495 /nfs/dbraw/zinc/88/74/95/487887495.db2.gz NSNCHZDTZVAHCP-XHVZSJERSA-N 0 3 235.375 3.193 20 0 BGADHN CC[C@H](N[C@@H]1C[C@H]1CC(C)(C)C)c1cnn(C)c1 ZINC000652241614 487888423 /nfs/dbraw/zinc/88/84/23/487888423.db2.gz RFCCBRMFTPPFRX-FPMFFAJLSA-N 0 3 249.402 3.286 20 0 BGADHN CC[C@@H](N[C@@H]1C[C@H]1CC(C)(C)C)c1cnn(C)c1 ZINC000652241615 487887736 /nfs/dbraw/zinc/88/77/36/487887736.db2.gz RFCCBRMFTPPFRX-IACUBPJLSA-N 0 3 249.402 3.286 20 0 BGADHN C[C@H](NC1(C2CCC2)CC1)c1ccco1 ZINC000652271533 411184336 /nfs/dbraw/zinc/18/43/36/411184336.db2.gz OYAMQXMPCWKWMQ-JTQLQIEISA-N 0 3 205.301 3.263 20 0 BGADHN C[C@@H](NC1(C2CCC2)CC1)c1ccco1 ZINC000652271534 411184021 /nfs/dbraw/zinc/18/40/21/411184021.db2.gz OYAMQXMPCWKWMQ-SNVBAGLBSA-N 0 3 205.301 3.263 20 0 BGADHN C[C@@H](NC1(C2CCC2)CC1)c1nccs1 ZINC000652272207 411184801 /nfs/dbraw/zinc/18/48/01/411184801.db2.gz CZWGNRSTOAGWMP-SECBINFHSA-N 0 3 222.357 3.126 20 0 BGADHN C[C@H](NC1(C2CCC2)CC1)c1nccs1 ZINC000652272208 411184028 /nfs/dbraw/zinc/18/40/28/411184028.db2.gz CZWGNRSTOAGWMP-VIFPVBQESA-N 0 3 222.357 3.126 20 0 BGADHN Cc1nc([C@@H](C)NC2(C3CCC3)CC2)cs1 ZINC000652272321 411184457 /nfs/dbraw/zinc/18/44/57/411184457.db2.gz HSIKQNGRVTUWHZ-SECBINFHSA-N 0 3 236.384 3.435 20 0 BGADHN Cc1nc([C@H](C)NC2(C3CCC3)CC2)cs1 ZINC000652272322 411184878 /nfs/dbraw/zinc/18/48/78/411184878.db2.gz HSIKQNGRVTUWHZ-VIFPVBQESA-N 0 3 236.384 3.435 20 0 BGADHN C[C@H](NC1(C2CCC2)CC1)c1ccc(F)cn1 ZINC000652272397 411184192 /nfs/dbraw/zinc/18/41/92/411184192.db2.gz KKYBIDKUDRXYPM-JTQLQIEISA-N 0 3 234.318 3.204 20 0 BGADHN C[C@@H](NC1(C2CCC2)CC1)c1ccc(F)cn1 ZINC000652272398 411184290 /nfs/dbraw/zinc/18/42/90/411184290.db2.gz KKYBIDKUDRXYPM-SNVBAGLBSA-N 0 3 234.318 3.204 20 0 BGADHN C[C@H](NC1(C2CCC2)CC1)c1ccoc1 ZINC000652272401 411184306 /nfs/dbraw/zinc/18/43/06/411184306.db2.gz KNEWLIWHKSWWEX-JTQLQIEISA-N 0 3 205.301 3.263 20 0 BGADHN C[C@@H](NC1(C2CCC2)CC1)c1ccoc1 ZINC000652272402 411183991 /nfs/dbraw/zinc/18/39/91/411183991.db2.gz KNEWLIWHKSWWEX-SNVBAGLBSA-N 0 3 205.301 3.263 20 0 BGADHN Cc1ncc([C@@H](C)NC2(C3CCC3)CC2)c(C)n1 ZINC000652272538 411185386 /nfs/dbraw/zinc/18/53/86/411185386.db2.gz PCGLLUSERXGJNK-LLVKDONJSA-N 0 3 245.370 3.077 20 0 BGADHN Cc1ncc([C@H](C)NC2(C3CCC3)CC2)c(C)n1 ZINC000652272539 411185115 /nfs/dbraw/zinc/18/51/15/411185115.db2.gz PCGLLUSERXGJNK-NSHDSACASA-N 0 3 245.370 3.077 20 0 BGADHN Cc1ncc([C@@H](C)NC2(C3CCC3)CC2)s1 ZINC000652272584 411185182 /nfs/dbraw/zinc/18/51/82/411185182.db2.gz QEWQQGKYXJZMAP-SECBINFHSA-N 0 3 236.384 3.435 20 0 BGADHN Cc1ncc([C@H](C)NC2(C3CCC3)CC2)s1 ZINC000652272585 411185337 /nfs/dbraw/zinc/18/53/37/411185337.db2.gz QEWQQGKYXJZMAP-VIFPVBQESA-N 0 3 236.384 3.435 20 0 BGADHN c1cnc2c(c1)CCC[C@@H]2NC1(C2CCC2)CC1 ZINC000652272755 411185439 /nfs/dbraw/zinc/18/54/39/411185439.db2.gz VTWKBDJWXLBZRX-AWEZNQCLSA-N 0 3 242.366 3.381 20 0 BGADHN c1cnc2c(c1)CCC[C@H]2NC1(C2CCC2)CC1 ZINC000652272756 411185852 /nfs/dbraw/zinc/18/58/52/411185852.db2.gz VTWKBDJWXLBZRX-CQSZACIVSA-N 0 3 242.366 3.381 20 0 BGADHN C[C@@H](NC1(C2CCC2)CC1)c1cncs1 ZINC000652272855 411185298 /nfs/dbraw/zinc/18/52/98/411185298.db2.gz YCLGWCHPJHIZCY-SECBINFHSA-N 0 3 222.357 3.126 20 0 BGADHN C[C@H](NC1(C2CCC2)CC1)c1cncs1 ZINC000652272856 411185413 /nfs/dbraw/zinc/18/54/13/411185413.db2.gz YCLGWCHPJHIZCY-VIFPVBQESA-N 0 3 222.357 3.126 20 0 BGADHN C[C@H](COCC1CC1)N[C@H](C)c1cccs1 ZINC000652285773 411188009 /nfs/dbraw/zinc/18/80/09/411188009.db2.gz FIBPEXXIRBMVHC-GHMZBOCLSA-N 0 3 239.384 3.214 20 0 BGADHN C[C@H](COCC1CC1)N[C@@H](C)c1cccs1 ZINC000652285774 411187878 /nfs/dbraw/zinc/18/78/78/411187878.db2.gz FIBPEXXIRBMVHC-MNOVXSKESA-N 0 3 239.384 3.214 20 0 BGADHN C[C@@H](COCC1CC1)N[C@@H](C)c1cccs1 ZINC000652285775 411188476 /nfs/dbraw/zinc/18/84/76/411188476.db2.gz FIBPEXXIRBMVHC-QWRGUYRKSA-N 0 3 239.384 3.214 20 0 BGADHN C[C@@H](N[C@@H](C)COCC1CC1)c1cccs1 ZINC000652285776 411187798 /nfs/dbraw/zinc/18/77/98/411187798.db2.gz FIBPEXXIRBMVHC-WDEREUQCSA-N 0 3 239.384 3.214 20 0 BGADHN Cc1ccc([C@@H](C)N[C@@H](C)COCC2CC2)o1 ZINC000652285896 411188275 /nfs/dbraw/zinc/18/82/75/411188275.db2.gz HVFWKZPQDVNYLS-CMPLNLGQSA-N 0 3 237.343 3.054 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H](C)COCC2CC2)o1 ZINC000652285897 411187806 /nfs/dbraw/zinc/18/78/06/411187806.db2.gz HVFWKZPQDVNYLS-JQWIXIFHSA-N 0 3 237.343 3.054 20 0 BGADHN Cc1ccc([C@H](C)N[C@H](C)COCC2CC2)o1 ZINC000652285898 411188162 /nfs/dbraw/zinc/18/81/62/411188162.db2.gz HVFWKZPQDVNYLS-PWSUYJOCSA-N 0 3 237.343 3.054 20 0 BGADHN Cc1ccc([C@@H](C)N[C@H](C)COCC2CC2)o1 ZINC000652285899 411188317 /nfs/dbraw/zinc/18/83/17/411188317.db2.gz HVFWKZPQDVNYLS-ZYHUDNBSSA-N 0 3 237.343 3.054 20 0 BGADHN C[C@H](COCC1CC1)N[C@H](C)c1ccsc1 ZINC000652286313 411187850 /nfs/dbraw/zinc/18/78/50/411187850.db2.gz RQNNLTWMKFSTDG-GHMZBOCLSA-N 0 3 239.384 3.214 20 0 BGADHN C[C@H](COCC1CC1)N[C@@H](C)c1ccsc1 ZINC000652286314 411187699 /nfs/dbraw/zinc/18/76/99/411187699.db2.gz RQNNLTWMKFSTDG-MNOVXSKESA-N 0 3 239.384 3.214 20 0 BGADHN C[C@@H](COCC1CC1)N[C@@H](C)c1ccsc1 ZINC000652286315 411188483 /nfs/dbraw/zinc/18/84/83/411188483.db2.gz RQNNLTWMKFSTDG-QWRGUYRKSA-N 0 3 239.384 3.214 20 0 BGADHN C[C@@H](N[C@@H](C)COCC1CC1)c1ccsc1 ZINC000652286316 411188401 /nfs/dbraw/zinc/18/84/01/411188401.db2.gz RQNNLTWMKFSTDG-WDEREUQCSA-N 0 3 239.384 3.214 20 0 BGADHN C[C@H](COCC1CC1)N[C@@H]1CCCc2occc21 ZINC000652287255 411188108 /nfs/dbraw/zinc/18/81/08/411188108.db2.gz RWXOIWZERVLKAP-BXUZGUMPSA-N 0 3 249.354 3.062 20 0 BGADHN C[C@@H](COCC1CC1)N[C@H]1CCCc2occc21 ZINC000652287256 411188176 /nfs/dbraw/zinc/18/81/76/411188176.db2.gz RWXOIWZERVLKAP-FZMZJTMJSA-N 0 3 249.354 3.062 20 0 BGADHN C[C@H](COCC1CC1)N[C@H]1CCCc2occc21 ZINC000652287257 411187978 /nfs/dbraw/zinc/18/79/78/411187978.db2.gz RWXOIWZERVLKAP-RISCZKNCSA-N 0 3 249.354 3.062 20 0 BGADHN C[C@@H](COCC1CC1)N[C@@H]1CCCc2occc21 ZINC000652287258 411187946 /nfs/dbraw/zinc/18/79/46/411187946.db2.gz RWXOIWZERVLKAP-SMDDNHRTSA-N 0 3 249.354 3.062 20 0 BGADHN CCc1cccc(CN[C@H](C)c2c[nH]nc2C)c1 ZINC000652307321 487908785 /nfs/dbraw/zinc/90/87/85/487908785.db2.gz VFTLPQOVAYLMSF-LLVKDONJSA-N 0 3 243.354 3.131 20 0 BGADHN CCc1cccc(CN[C@@H](C)c2c[nH]nc2C)c1 ZINC000652307322 411197094 /nfs/dbraw/zinc/19/70/94/411197094.db2.gz VFTLPQOVAYLMSF-NSHDSACASA-N 0 3 243.354 3.131 20 0 BGADHN C[C@@H](N[C@@H](C)c1cc2n(n1)CCCC2)C(C)(C)C ZINC000652316983 411198764 /nfs/dbraw/zinc/19/87/64/411198764.db2.gz DIHLSEQEWWRAAL-NWDGAFQWSA-N 0 3 249.402 3.305 20 0 BGADHN C[C@@H](N[C@H](C)C(C)(C)C)c1cc2n(n1)CCCC2 ZINC000652316984 411198937 /nfs/dbraw/zinc/19/89/37/411198937.db2.gz DIHLSEQEWWRAAL-VXGBXAGGSA-N 0 3 249.402 3.305 20 0 BGADHN Cc1ncc([C@@H](C)NC2CC3(CCC3)C2)c(C)n1 ZINC000652327388 411201258 /nfs/dbraw/zinc/20/12/58/411201258.db2.gz YHGBEJPVDNFIOH-LLVKDONJSA-N 0 3 245.370 3.077 20 0 BGADHN Cc1ncc([C@H](C)NC2CC3(CCC3)C2)c(C)n1 ZINC000652327389 411200973 /nfs/dbraw/zinc/20/09/73/411200973.db2.gz YHGBEJPVDNFIOH-NSHDSACASA-N 0 3 245.370 3.077 20 0 BGADHN Cc1ncc([C@@H](C)NC2CC3(CCC3)C2)s1 ZINC000652327760 411202323 /nfs/dbraw/zinc/20/23/23/411202323.db2.gz IYVIOGFAMGJRPF-SECBINFHSA-N 0 3 236.384 3.435 20 0 BGADHN Cc1ncc([C@H](C)NC2CC3(CCC3)C2)s1 ZINC000652327761 411201971 /nfs/dbraw/zinc/20/19/71/411201971.db2.gz IYVIOGFAMGJRPF-VIFPVBQESA-N 0 3 236.384 3.435 20 0 BGADHN C[C@@H](NC1CC2(CCC2)C1)c1cncs1 ZINC000652328038 411202724 /nfs/dbraw/zinc/20/27/24/411202724.db2.gz SAWVRVHDNGHXSX-SECBINFHSA-N 0 3 222.357 3.126 20 0 BGADHN C[C@H](NC1CC2(CCC2)C1)c1cncs1 ZINC000652328039 411202776 /nfs/dbraw/zinc/20/27/76/411202776.db2.gz SAWVRVHDNGHXSX-VIFPVBQESA-N 0 3 222.357 3.126 20 0 BGADHN C[C@H](NC1CC2(CCC2)C1)c1ccc(F)cn1 ZINC000652328124 411201439 /nfs/dbraw/zinc/20/14/39/411201439.db2.gz VTPIPSVHIFGAOX-JTQLQIEISA-N 0 3 234.318 3.204 20 0 BGADHN C[C@@H](NC1CC2(CCC2)C1)c1ccc(F)cn1 ZINC000652328125 411201174 /nfs/dbraw/zinc/20/11/74/411201174.db2.gz VTPIPSVHIFGAOX-SNVBAGLBSA-N 0 3 234.318 3.204 20 0 BGADHN CCCC(C)(C)C(=O)Nc1cccc(CNC)c1 ZINC000652556912 411268354 /nfs/dbraw/zinc/26/83/54/411268354.db2.gz SXPXOWCKMDUEFS-UHFFFAOYSA-N 0 3 248.370 3.171 20 0 BGADHN CCCC(C)(C)C(=O)Nc1cc(C)cc(CN)c1 ZINC000652558343 411269857 /nfs/dbraw/zinc/26/98/57/411269857.db2.gz WJLIHJJMXLBVMW-UHFFFAOYSA-N 0 3 248.370 3.219 20 0 BGADHN CCCC(C)(C)C(=O)Nc1ccc2c(c1)CNC2 ZINC000653145770 409870446 /nfs/dbraw/zinc/87/04/46/409870446.db2.gz LDLXNQNUEQQJBA-UHFFFAOYSA-N 0 3 246.354 3.055 20 0 BGADHN COc1ccc(C(C)C)cc1CN1CCCC1 ZINC000653488501 411378287 /nfs/dbraw/zinc/37/82/87/411378287.db2.gz ZJUSWFBRPHSCCD-UHFFFAOYSA-N 0 3 233.355 3.414 20 0 BGADHN CC1CCN(CCc2noc3ccccc32)CC1 ZINC000653488618 487915345 /nfs/dbraw/zinc/91/53/45/487915345.db2.gz DDMJAKNKMPZTFD-UHFFFAOYSA-N 0 3 244.338 3.102 20 0 BGADHN Cc1nsc(C)c1CN(CC(C)C)C1CC1 ZINC000653492545 411382638 /nfs/dbraw/zinc/38/26/38/411382638.db2.gz QPTYKJWFTYLYLC-UHFFFAOYSA-N 0 3 238.400 3.380 20 0 BGADHN COc1ccc(C(C)C)cc1CN(C)C1CC1 ZINC000653496130 411394111 /nfs/dbraw/zinc/39/41/11/411394111.db2.gz FWHQNWYNJGYYOF-UHFFFAOYSA-N 0 3 233.355 3.413 20 0 BGADHN Cc1nsc(C)c1CN(C)CCC(C)C ZINC000653499476 411413889 /nfs/dbraw/zinc/41/38/89/411413889.db2.gz OLKJRFGGYRZRCJ-UHFFFAOYSA-N 0 3 226.389 3.238 20 0 BGADHN C[C@@H]1CCN(CCCc2c(F)cccc2F)C1 ZINC000653533767 490164040 /nfs/dbraw/zinc/16/40/40/490164040.db2.gz FEVNKACRRCKGQX-LLVKDONJSA-N 0 3 239.309 3.239 20 0 BGADHN C[C@H]1CCN(CCCc2c(F)cccc2F)C1 ZINC000653533768 490164014 /nfs/dbraw/zinc/16/40/14/490164014.db2.gz FEVNKACRRCKGQX-NSHDSACASA-N 0 3 239.309 3.239 20 0 BGADHN CC(C)(CCn1cc2c(n1)[C@H](N)CCC2)C1CC1 ZINC000653533780 490163978 /nfs/dbraw/zinc/16/39/78/490163978.db2.gz FUHRLATWUJOSSA-CYBMUJFWSA-N 0 3 247.386 3.046 20 0 BGADHN CC(C)(CCn1cc2c(n1)[C@@H](N)CCC2)C1CC1 ZINC000653533781 490164298 /nfs/dbraw/zinc/16/42/98/490164298.db2.gz FUHRLATWUJOSSA-ZDUSSCGKSA-N 0 3 247.386 3.046 20 0 BGADHN CCN(CCC(C)(C)C1CC1)Cc1cnn(C)c1 ZINC000653533879 490164198 /nfs/dbraw/zinc/16/41/98/490164198.db2.gz KSVUSJRWASCHNM-UHFFFAOYSA-N 0 3 249.402 3.068 20 0 BGADHN CCCN(Cc1c(C)nsc1C)C1CC1 ZINC000653544660 411420213 /nfs/dbraw/zinc/42/02/13/411420213.db2.gz GRHRCUJBKPKFPE-UHFFFAOYSA-N 0 3 224.373 3.134 20 0 BGADHN Cc1nsc(C)c1CN1CCCC(C)(C)C1 ZINC000653556206 411420902 /nfs/dbraw/zinc/42/09/02/411420902.db2.gz ULJSXHUJWOBPSM-UHFFFAOYSA-N 0 3 238.400 3.382 20 0 BGADHN CCn1cc(CN(C)CCC(C)(C)C2CC2)cn1 ZINC000653556791 487964928 /nfs/dbraw/zinc/96/49/28/487964928.db2.gz JWLDTXMBTFLWSM-UHFFFAOYSA-N 0 3 249.402 3.161 20 0 BGADHN C[C@@H]1CCCN1CCCc1c(F)cccc1F ZINC000653561754 411422669 /nfs/dbraw/zinc/42/26/69/411422669.db2.gz UGESGJIAFBJEOZ-LLVKDONJSA-N 0 3 239.309 3.382 20 0 BGADHN C[C@H]1CCCN1CCCc1c(F)cccc1F ZINC000653561755 411422157 /nfs/dbraw/zinc/42/21/57/411422157.db2.gz UGESGJIAFBJEOZ-NSHDSACASA-N 0 3 239.309 3.382 20 0 BGADHN CC(C)(CCN1CCOCC12CCC2)C1CC1 ZINC000653587594 411427836 /nfs/dbraw/zinc/42/78/36/411427836.db2.gz JRDJERXZVXVWPZ-UHFFFAOYSA-N 0 3 237.387 3.068 20 0 BGADHN CN(CCC(C)(C)C1CC1)Cc1cccnc1 ZINC000653589508 411425085 /nfs/dbraw/zinc/42/50/85/411425085.db2.gz OCFKTARMWNMDQX-UHFFFAOYSA-N 0 3 232.371 3.340 20 0 BGADHN CC1=CCN(CCc2noc3ccccc32)CC1 ZINC000653590245 411425498 /nfs/dbraw/zinc/42/54/98/411425498.db2.gz VRSRULDJUOJLTG-UHFFFAOYSA-N 0 3 242.322 3.022 20 0 BGADHN c1[nH]nc2c1CN(CCC1CCCCCC1)CC2 ZINC000653593311 411427470 /nfs/dbraw/zinc/42/74/70/411427470.db2.gz WHIAURGNVHIRNL-UHFFFAOYSA-N 0 3 247.386 3.128 20 0 BGADHN COc1cc(CN2CCC3(CC3)CC2)ccc1C ZINC000653593565 411426825 /nfs/dbraw/zinc/42/68/25/411426825.db2.gz FVJBRWHNKJOQFB-UHFFFAOYSA-N 0 3 245.366 3.380 20 0 BGADHN Cc1nsc(C)c1CN1CCC2(CC2)CC1 ZINC000653593926 411428683 /nfs/dbraw/zinc/42/86/83/411428683.db2.gz WXCWQYWDDXHSQF-UHFFFAOYSA-N 0 3 236.384 3.136 20 0 BGADHN CC(C)(CCN1CCOC2(CCC2)C1)C1CC1 ZINC000653594701 411430178 /nfs/dbraw/zinc/43/01/78/411430178.db2.gz CMLVTFOOMKNXGL-UHFFFAOYSA-N 0 3 237.387 3.068 20 0 BGADHN Cc1nsc(C)c1CN(C(C)C)C(C)C ZINC000653596664 411430124 /nfs/dbraw/zinc/43/01/24/411430124.db2.gz DUGLAZQZWKABEL-UHFFFAOYSA-N 0 3 226.389 3.379 20 0 BGADHN CC(C)(CCN1CCC[C@H]1c1cc[nH]n1)C1CC1 ZINC000653648800 411155593 /nfs/dbraw/zinc/15/55/93/411155593.db2.gz JUVRPDSADUOFJK-AWEZNQCLSA-N 0 3 247.386 3.373 20 0 BGADHN CC(C)(CCN1CCC[C@@H]1c1cc[nH]n1)C1CC1 ZINC000653648801 411155734 /nfs/dbraw/zinc/15/57/34/411155734.db2.gz JUVRPDSADUOFJK-CQSZACIVSA-N 0 3 247.386 3.373 20 0 BGADHN C[C@@H]1C[C@@H](C)N1CCCc1c(F)cccc1F ZINC000653650941 411157131 /nfs/dbraw/zinc/15/71/31/411157131.db2.gz VRQBZJBAKDYXJH-GHMZBOCLSA-N 0 3 239.309 3.380 20 0 BGADHN C[C@@H]1C[C@H](C)N1CCCc1c(F)cccc1F ZINC000653650942 411157792 /nfs/dbraw/zinc/15/77/92/411157792.db2.gz VRQBZJBAKDYXJH-PHIMTYICSA-N 0 3 239.309 3.380 20 0 BGADHN C[C@H]1C[C@H](C)N1CCCc1c(F)cccc1F ZINC000653650944 411157637 /nfs/dbraw/zinc/15/76/37/411157637.db2.gz VRQBZJBAKDYXJH-QWRGUYRKSA-N 0 3 239.309 3.380 20 0 BGADHN CC1=CCCN(CCc2noc3ccccc32)C1 ZINC000653656869 411160358 /nfs/dbraw/zinc/16/03/58/411160358.db2.gz XAGXBOSFMSDRMK-UHFFFAOYSA-N 0 3 242.322 3.022 20 0 BGADHN C1=C(CN2CCC=C(c3ccccn3)C2)CCC1 ZINC000653702131 411194606 /nfs/dbraw/zinc/19/46/06/411194606.db2.gz SUUVTSLNUPTDCL-UHFFFAOYSA-N 0 3 240.350 3.281 20 0 BGADHN C[C@@H]1CN(CCCc2c(F)cccc2F)[C@@H]1C ZINC000653704995 411195659 /nfs/dbraw/zinc/19/56/59/411195659.db2.gz MDJMEBOAUXADDA-GHMZBOCLSA-N 0 3 239.309 3.238 20 0 BGADHN C[C@@H]1CN(CCCc2c(F)cccc2F)[C@H]1C ZINC000653704996 411195800 /nfs/dbraw/zinc/19/58/00/411195800.db2.gz MDJMEBOAUXADDA-MNOVXSKESA-N 0 3 239.309 3.238 20 0 BGADHN C[C@H]1CN(CCCc2c(F)cccc2F)[C@H]1C ZINC000653704997 411195417 /nfs/dbraw/zinc/19/54/17/411195417.db2.gz MDJMEBOAUXADDA-QWRGUYRKSA-N 0 3 239.309 3.238 20 0 BGADHN C[C@@H]1[C@@H](C)CN1CCCc1c(F)cccc1F ZINC000653704998 411196047 /nfs/dbraw/zinc/19/60/47/411196047.db2.gz MDJMEBOAUXADDA-WDEREUQCSA-N 0 3 239.309 3.238 20 0 BGADHN CN1CCN(CC2=CCCC2)CC12CCCCC2 ZINC000653722076 411247443 /nfs/dbraw/zinc/24/74/43/411247443.db2.gz BEEHGIITMQNRGN-UHFFFAOYSA-N 0 3 248.414 3.047 20 0 BGADHN CN(CCC(C)(C)C1CC1)Cc1ccccn1 ZINC000653729711 487630213 /nfs/dbraw/zinc/63/02/13/487630213.db2.gz UFZREHQYGRIWME-UHFFFAOYSA-N 0 3 232.371 3.340 20 0 BGADHN CC1(C)CC[C@H]1NCc1nc2ccccc2o1 ZINC000653746160 411305949 /nfs/dbraw/zinc/30/59/49/411305949.db2.gz HKVHMSKNZBWOQH-GFCCVEGCSA-N 0 3 230.311 3.106 20 0 BGADHN CC1(C)CC[C@@H]1NCc1nc2ccccc2o1 ZINC000653746161 411305969 /nfs/dbraw/zinc/30/59/69/411305969.db2.gz HKVHMSKNZBWOQH-LBPRGKRZSA-N 0 3 230.311 3.106 20 0 BGADHN CC(C)=CCN1CC[C@H](c2cc(C)ccn2)C1 ZINC000653748116 487779028 /nfs/dbraw/zinc/77/90/28/487779028.db2.gz HAAORXKQUMXGES-AWEZNQCLSA-N 0 3 230.355 3.146 20 0 BGADHN CC(C)=CCN1CC[C@@H](c2cc(C)ccn2)C1 ZINC000653748117 487778896 /nfs/dbraw/zinc/77/88/96/487778896.db2.gz HAAORXKQUMXGES-CQSZACIVSA-N 0 3 230.355 3.146 20 0 BGADHN Cc1ccnc([C@H]2CCN(CC3=CCCC3)C2)c1 ZINC000653750210 411321688 /nfs/dbraw/zinc/32/16/88/411321688.db2.gz WCVVWWXPKPRJPP-HNNXBMFYSA-N 0 3 242.366 3.290 20 0 BGADHN Cc1ccnc([C@@H]2CCN(CC3=CCCC3)C2)c1 ZINC000653750211 411321523 /nfs/dbraw/zinc/32/15/23/411321523.db2.gz WCVVWWXPKPRJPP-OAHLLOKOSA-N 0 3 242.366 3.290 20 0 BGADHN CCC(C)(C)CCN1CCC(=O)CC12CCC2 ZINC000653763920 411344305 /nfs/dbraw/zinc/34/43/05/411344305.db2.gz FNXAEPVAIYMMQV-UHFFFAOYSA-N 0 3 237.387 3.400 20 0 BGADHN CC(C)(CCN1CCC(=O)CC12CCC2)C1CC1 ZINC000653765127 411345342 /nfs/dbraw/zinc/34/53/42/411345342.db2.gz DVVGSEVWRBFUMI-UHFFFAOYSA-N 0 3 249.398 3.400 20 0 BGADHN Cc1nsc(C)c1CN1CCC12CCCC2 ZINC000653776803 411166167 /nfs/dbraw/zinc/16/61/67/411166167.db2.gz PJGLSVQLOBYFRC-UHFFFAOYSA-N 0 3 236.384 3.278 20 0 BGADHN Cc1nsc(C)c1CNC1(C2CCC2)CC1 ZINC000653779198 411167998 /nfs/dbraw/zinc/16/79/98/411167998.db2.gz PJWXOKSWCKHQJX-UHFFFAOYSA-N 0 3 236.384 3.182 20 0 BGADHN CCCN(Cc1cn2cccc(C)c2n1)C(C)C ZINC000653796978 487568307 /nfs/dbraw/zinc/56/83/07/487568307.db2.gz DWGAPPJADNOYDV-UHFFFAOYSA-N 0 3 245.370 3.263 20 0 BGADHN CCCN(Cc1ccc(OCC)cn1)C(C)C ZINC000653797559 487568566 /nfs/dbraw/zinc/56/85/66/487568566.db2.gz CFZFKWNYEVZHOH-UHFFFAOYSA-N 0 3 236.359 3.101 20 0 BGADHN CCCN(Cc1ccc(Cl)cn1)C(C)C ZINC000653798864 411183608 /nfs/dbraw/zinc/18/36/08/411183608.db2.gz RONJNWFFVFNRHF-UHFFFAOYSA-N 0 3 226.751 3.355 20 0 BGADHN c1ccc(CN2CCC[C@H](OC3CCC3)C2)cc1 ZINC000653814663 411191306 /nfs/dbraw/zinc/19/13/06/411191306.db2.gz ALFDROWNNABJIX-INIZCTEOSA-N 0 3 245.366 3.220 20 0 BGADHN c1ccc(CN2CCC[C@@H](OC3CCC3)C2)cc1 ZINC000653814664 411191657 /nfs/dbraw/zinc/19/16/57/411191657.db2.gz ALFDROWNNABJIX-MRXNPFEDSA-N 0 3 245.366 3.220 20 0 BGADHN CC[C@@H](C)CN1Cc2ccc(OC)cc2C1 ZINC000653834195 411196814 /nfs/dbraw/zinc/19/68/14/411196814.db2.gz LHEBRODTOUIDCZ-LLVKDONJSA-N 0 3 219.328 3.057 20 0 BGADHN CC[C@H](C)CN1Cc2ccc(OC)cc2C1 ZINC000653834196 411196584 /nfs/dbraw/zinc/19/65/84/411196584.db2.gz LHEBRODTOUIDCZ-NSHDSACASA-N 0 3 219.328 3.057 20 0 BGADHN COc1ccc2c(c1)CN(CCC(C)(C)C)C2 ZINC000653834219 411196664 /nfs/dbraw/zinc/19/66/64/411196664.db2.gz MWJIORAWXSPVRC-UHFFFAOYSA-N 0 3 233.355 3.447 20 0 BGADHN c1cc(CN2CCC[C@H]2CC2CCCC2)no1 ZINC000653892233 411210948 /nfs/dbraw/zinc/21/09/48/411210948.db2.gz DCBZGPISDWOBLO-AWEZNQCLSA-N 0 3 234.343 3.219 20 0 BGADHN c1cc(CN2CCC[C@@H]2CC2CCCC2)no1 ZINC000653892234 411210906 /nfs/dbraw/zinc/21/09/06/411210906.db2.gz DCBZGPISDWOBLO-CQSZACIVSA-N 0 3 234.343 3.219 20 0 BGADHN c1cnc(CN2CCC[C@H]2CC2CCCC2)nc1 ZINC000653892663 487610282 /nfs/dbraw/zinc/61/02/82/487610282.db2.gz MMJJXAZGYXLZGS-AWEZNQCLSA-N 0 3 245.370 3.021 20 0 BGADHN c1cnc(CN2CCC[C@@H]2CC2CCCC2)nc1 ZINC000653892664 487610294 /nfs/dbraw/zinc/61/02/94/487610294.db2.gz MMJJXAZGYXLZGS-CQSZACIVSA-N 0 3 245.370 3.021 20 0 BGADHN c1cc(CN2CCC[C@@H]2CC2CCCC2)on1 ZINC000653893317 411211839 /nfs/dbraw/zinc/21/18/39/411211839.db2.gz YJNOIQQHXSBMAS-CYBMUJFWSA-N 0 3 234.343 3.219 20 0 BGADHN c1cc(CN2CCC[C@H]2CC2CCCC2)on1 ZINC000653893318 411211442 /nfs/dbraw/zinc/21/14/42/411211442.db2.gz YJNOIQQHXSBMAS-ZDUSSCGKSA-N 0 3 234.343 3.219 20 0 BGADHN C[C@@H]1CN(CCCCF)CC2(CCCCC2)O1 ZINC000653903620 411218598 /nfs/dbraw/zinc/21/85/98/411218598.db2.gz JWIJRKQSEKYPDQ-CYBMUJFWSA-N 0 3 243.366 3.160 20 0 BGADHN C[C@H]1CN(CCCCF)CC2(CCCCC2)O1 ZINC000653903621 411218892 /nfs/dbraw/zinc/21/88/92/411218892.db2.gz JWIJRKQSEKYPDQ-ZDUSSCGKSA-N 0 3 243.366 3.160 20 0 BGADHN CC(C)CN[C@@H](Cc1ccccc1)c1ncco1 ZINC000653910924 411221310 /nfs/dbraw/zinc/22/13/10/411221310.db2.gz YGLVKRYEZGEHCM-AWEZNQCLSA-N 0 3 244.338 3.204 20 0 BGADHN CC(C)CN[C@H](Cc1ccccc1)c1ncco1 ZINC000653910925 411221234 /nfs/dbraw/zinc/22/12/34/411221234.db2.gz YGLVKRYEZGEHCM-CQSZACIVSA-N 0 3 244.338 3.204 20 0 BGADHN Cc1ccnc(COc2cc(C)nc(C)c2C)c1 ZINC000655677544 488167232 /nfs/dbraw/zinc/16/72/32/488167232.db2.gz BHQMRCYIOQVCCX-UHFFFAOYSA-N 0 3 242.322 3.289 20 0 BGADHN Cc1cc(OCCC[C@H]2CCOC2)c(C)c(C)n1 ZINC000655677572 488167431 /nfs/dbraw/zinc/16/74/31/488167431.db2.gz HMTHVKWEDWPGES-AWEZNQCLSA-N 0 3 249.354 3.202 20 0 BGADHN Cc1cc(OCCC[C@@H]2CCOC2)c(C)c(C)n1 ZINC000655677573 488167024 /nfs/dbraw/zinc/16/70/24/488167024.db2.gz HMTHVKWEDWPGES-CQSZACIVSA-N 0 3 249.354 3.202 20 0 BGADHN Cc1cc(OCc2cccnc2C)c(C)c(C)n1 ZINC000655677580 488167057 /nfs/dbraw/zinc/16/70/57/488167057.db2.gz IUEAPYDHGHJHAS-UHFFFAOYSA-N 0 3 242.322 3.289 20 0 BGADHN Cc1ccc(COc2cc(C)nc(C)c2C)cn1 ZINC000655677615 488167044 /nfs/dbraw/zinc/16/70/44/488167044.db2.gz RCQUSAFADBHROX-UHFFFAOYSA-N 0 3 242.322 3.289 20 0 BGADHN Cc1cc(OC2CCCC2)c(C)c(C)n1 ZINC000655677628 488167122 /nfs/dbraw/zinc/16/71/22/488167122.db2.gz VIBFFOQRIJMAMW-UHFFFAOYSA-N 0 3 205.301 3.328 20 0 BGADHN C[C@@H]1CCC[C@H](N[C@H]2CCCn3ccnc32)[C@@H]1C ZINC000655679888 411223094 /nfs/dbraw/zinc/22/30/94/411223094.db2.gz GOFGUAILFSQZGJ-MQYQWHSLSA-N 0 3 247.386 3.132 20 0 BGADHN C[C@@H]1CCC[C@H](N[C@H]2CCCn3ccnc32)[C@H]1C ZINC000655679890 411222746 /nfs/dbraw/zinc/22/27/46/411222746.db2.gz GOFGUAILFSQZGJ-RFGFWPKPSA-N 0 3 247.386 3.132 20 0 BGADHN C[C@@H]1CCC[C@H](N[C@@H]2CCCn3ccnc32)[C@@H]1C ZINC000655679892 411223146 /nfs/dbraw/zinc/22/31/46/411223146.db2.gz GOFGUAILFSQZGJ-YIYPIFLZSA-N 0 3 247.386 3.132 20 0 BGADHN C[C@@H]1CCC[C@H](N[C@@H]2CCCn3ccnc32)[C@H]1C ZINC000655679893 411222539 /nfs/dbraw/zinc/22/25/39/411222539.db2.gz GOFGUAILFSQZGJ-ZOBORPQBSA-N 0 3 247.386 3.132 20 0 BGADHN CCC[C@@H](C)N[C@@H](C)c1cn2ccccc2n1 ZINC000655680408 411222592 /nfs/dbraw/zinc/22/25/92/411222592.db2.gz MKEZVUVVFHUZEN-NEPJUHHUSA-N 0 3 231.343 3.174 20 0 BGADHN CCC[C@H](C)N[C@H](C)c1cn2ccccc2n1 ZINC000655680418 411223115 /nfs/dbraw/zinc/22/31/15/411223115.db2.gz MKEZVUVVFHUZEN-NWDGAFQWSA-N 0 3 231.343 3.174 20 0 BGADHN CCC[C@H](C)N[C@@H](C)c1cn2ccccc2n1 ZINC000655680420 411223062 /nfs/dbraw/zinc/22/30/62/411223062.db2.gz MKEZVUVVFHUZEN-RYUDHWBXSA-N 0 3 231.343 3.174 20 0 BGADHN CCC[C@@H](C)N[C@H](C)c1cn2ccccc2n1 ZINC000655680422 411223173 /nfs/dbraw/zinc/22/31/73/411223173.db2.gz MKEZVUVVFHUZEN-VXGBXAGGSA-N 0 3 231.343 3.174 20 0 BGADHN c1cn2c(n1)[C@@H](NCCC1=CCCCC1)CCC2 ZINC000655680851 411222989 /nfs/dbraw/zinc/22/29/89/411222989.db2.gz UPQUTGXAWKFODV-AWEZNQCLSA-N 0 3 245.370 3.198 20 0 BGADHN c1cn2c(n1)[C@H](NCCC1=CCCCC1)CCC2 ZINC000655680852 411222959 /nfs/dbraw/zinc/22/29/59/411222959.db2.gz UPQUTGXAWKFODV-CQSZACIVSA-N 0 3 245.370 3.198 20 0 BGADHN C[C@H](N[C@H]1CC[C@@H](C)SC1)c1cccnc1 ZINC000655683913 411224639 /nfs/dbraw/zinc/22/46/39/411224639.db2.gz XHUZHGQIZNOVEH-MDZLAQPJSA-N 0 3 236.384 3.016 20 0 BGADHN C[C@@H](N[C@@H]1CC[C@@H](C)SC1)c1cccnc1 ZINC000655683914 411224821 /nfs/dbraw/zinc/22/48/21/411224821.db2.gz XHUZHGQIZNOVEH-NQBHXWOUSA-N 0 3 236.384 3.016 20 0 BGADHN C[C@H](N[C@@H]1CC[C@@H](C)SC1)c1cccnc1 ZINC000655683915 411224727 /nfs/dbraw/zinc/22/47/27/411224727.db2.gz XHUZHGQIZNOVEH-NTZNESFSSA-N 0 3 236.384 3.016 20 0 BGADHN C[C@@H](N[C@H]1CC[C@@H](C)SC1)c1cccnc1 ZINC000655683916 411224986 /nfs/dbraw/zinc/22/49/86/411224986.db2.gz XHUZHGQIZNOVEH-WZRBSPASSA-N 0 3 236.384 3.016 20 0 BGADHN C[C@H](N[C@@H]1CC[C@@H](C)SC1)c1ccccn1 ZINC000655683960 411224789 /nfs/dbraw/zinc/22/47/89/411224789.db2.gz KDKNZBHKKIRYDN-GRYCIOLGSA-N 0 3 236.384 3.016 20 0 BGADHN C[C@@H](N[C@@H]1CC[C@@H](C)SC1)c1ccccn1 ZINC000655683961 411225365 /nfs/dbraw/zinc/22/53/65/411225365.db2.gz KDKNZBHKKIRYDN-IJLUTSLNSA-N 0 3 236.384 3.016 20 0 BGADHN C[C@@H](N[C@H]1CC[C@@H](C)SC1)c1ccccn1 ZINC000655683962 411224776 /nfs/dbraw/zinc/22/47/76/411224776.db2.gz KDKNZBHKKIRYDN-UTUOFQBUSA-N 0 3 236.384 3.016 20 0 BGADHN C[C@H](N[C@H]1CC[C@@H](C)SC1)c1ccccn1 ZINC000655683963 411225196 /nfs/dbraw/zinc/22/51/96/411225196.db2.gz KDKNZBHKKIRYDN-WOPDTQHZSA-N 0 3 236.384 3.016 20 0 BGADHN CC(C)CC[C@@H](C)N[C@@H]1CCCn2ccnc21 ZINC000655684346 411225529 /nfs/dbraw/zinc/22/55/29/411225529.db2.gz OZINAXPJDVOTMX-CHWSQXEVSA-N 0 3 235.375 3.132 20 0 BGADHN CC(C)CC[C@@H](C)N[C@H]1CCCn2ccnc21 ZINC000655684347 411225703 /nfs/dbraw/zinc/22/57/03/411225703.db2.gz OZINAXPJDVOTMX-OLZOCXBDSA-N 0 3 235.375 3.132 20 0 BGADHN CC(C)CC[C@H](C)N[C@@H]1CCCn2ccnc21 ZINC000655684348 411225622 /nfs/dbraw/zinc/22/56/22/411225622.db2.gz OZINAXPJDVOTMX-QWHCGFSZSA-N 0 3 235.375 3.132 20 0 BGADHN CC(C)CC[C@H](C)N[C@H]1CCCn2ccnc21 ZINC000655684349 411224632 /nfs/dbraw/zinc/22/46/32/411224632.db2.gz OZINAXPJDVOTMX-STQMWFEESA-N 0 3 235.375 3.132 20 0 BGADHN c1cn2c(n1)[C@H](NC1CCCCCC1)CCC2 ZINC000655684350 411224690 /nfs/dbraw/zinc/22/46/90/411224690.db2.gz PAVSPVIFGZIPRS-CYBMUJFWSA-N 0 3 233.359 3.030 20 0 BGADHN c1cn2c(n1)[C@@H](NC1CCCCCC1)CCC2 ZINC000655684351 411224951 /nfs/dbraw/zinc/22/49/51/411224951.db2.gz PAVSPVIFGZIPRS-ZDUSSCGKSA-N 0 3 233.359 3.030 20 0 BGADHN c1cn2c(n1)[C@@H](NCCC1CCCCC1)CCC2 ZINC000655686261 411228481 /nfs/dbraw/zinc/22/84/81/411228481.db2.gz ZYSYFQWMLOARDC-AWEZNQCLSA-N 0 3 247.386 3.278 20 0 BGADHN c1cn2c(n1)[C@H](NCCC1CCCCC1)CCC2 ZINC000655686264 411228631 /nfs/dbraw/zinc/22/86/31/411228631.db2.gz ZYSYFQWMLOARDC-CQSZACIVSA-N 0 3 247.386 3.278 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1N[C@@H]1CCCn2ccnc21 ZINC000655686853 411231055 /nfs/dbraw/zinc/23/10/55/411231055.db2.gz QWOWMZRTBROARF-HZSPNIEDSA-N 0 3 247.386 3.276 20 0 BGADHN CC[C@@H]1CCCC[C@H]1N[C@H]1CCCn2ccnc21 ZINC000655686854 411231068 /nfs/dbraw/zinc/23/10/68/411231068.db2.gz QWOWMZRTBROARF-MCIONIFRSA-N 0 3 247.386 3.276 20 0 BGADHN CC[C@@H]1CCCC[C@H]1N[C@@H]1CCCn2ccnc21 ZINC000655686855 411230667 /nfs/dbraw/zinc/23/06/67/411230667.db2.gz QWOWMZRTBROARF-MGPQQGTHSA-N 0 3 247.386 3.276 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1N[C@H]1CCCn2ccnc21 ZINC000655686856 411231073 /nfs/dbraw/zinc/23/10/73/411231073.db2.gz QWOWMZRTBROARF-RDBSUJKOSA-N 0 3 247.386 3.276 20 0 BGADHN C[C@H]1CC[C@@H](NCc2ccsc2)CS1 ZINC000655689699 411233344 /nfs/dbraw/zinc/23/33/44/411233344.db2.gz KPADYCIKNYGSAB-GXSJLCMTSA-N 0 3 227.398 3.122 20 0 BGADHN C[C@@H]1CC[C@H](NCc2ccsc2)CS1 ZINC000655689700 411233680 /nfs/dbraw/zinc/23/36/80/411233680.db2.gz KPADYCIKNYGSAB-KOLCDFICSA-N 0 3 227.398 3.122 20 0 BGADHN C[C@@H]1CC[C@@H](NCc2ccsc2)CS1 ZINC000655689701 411233705 /nfs/dbraw/zinc/23/37/05/411233705.db2.gz KPADYCIKNYGSAB-MWLCHTKSSA-N 0 3 227.398 3.122 20 0 BGADHN C[C@H]1CC[C@H](NCc2ccsc2)CS1 ZINC000655689702 411233266 /nfs/dbraw/zinc/23/32/66/411233266.db2.gz KPADYCIKNYGSAB-ONGXEEELSA-N 0 3 227.398 3.122 20 0 BGADHN C[C@H]1CC[C@@H](NCc2ccccc2F)CS1 ZINC000655689971 411234403 /nfs/dbraw/zinc/23/44/03/411234403.db2.gz IKYYXSQYTMAOSU-CMPLNLGQSA-N 0 3 239.359 3.199 20 0 BGADHN C[C@H]1CC[C@H](NCc2ccccc2F)CS1 ZINC000655689972 411234523 /nfs/dbraw/zinc/23/45/23/411234523.db2.gz IKYYXSQYTMAOSU-JQWIXIFHSA-N 0 3 239.359 3.199 20 0 BGADHN C[C@@H]1CC[C@H](NCc2ccccc2F)CS1 ZINC000655689973 411234222 /nfs/dbraw/zinc/23/42/22/411234222.db2.gz IKYYXSQYTMAOSU-PWSUYJOCSA-N 0 3 239.359 3.199 20 0 BGADHN C[C@@H]1CC[C@@H](NCc2ccccc2F)CS1 ZINC000655690208 411234371 /nfs/dbraw/zinc/23/43/71/411234371.db2.gz IKYYXSQYTMAOSU-ZYHUDNBSSA-N 0 3 239.359 3.199 20 0 BGADHN c1cn2c(n1)[C@@H](NCCCC1CCCC1)CCC2 ZINC000655690962 411236154 /nfs/dbraw/zinc/23/61/54/411236154.db2.gz AJWLRNAZWILNDU-AWEZNQCLSA-N 0 3 247.386 3.278 20 0 BGADHN c1cn2c(n1)[C@H](NCCCC1CCCC1)CCC2 ZINC000655690964 411236172 /nfs/dbraw/zinc/23/61/72/411236172.db2.gz AJWLRNAZWILNDU-CQSZACIVSA-N 0 3 247.386 3.278 20 0 BGADHN C[C@@H]1CCCC[C@H]1CN[C@@H]1CCCn2ccnc21 ZINC000655700695 411251243 /nfs/dbraw/zinc/25/12/43/411251243.db2.gz NOMUNHRCLBAYAY-HZSPNIEDSA-N 0 3 247.386 3.134 20 0 BGADHN C[C@@H]1CCCC[C@@H]1CN[C@H]1CCCn2ccnc21 ZINC000655700696 411251105 /nfs/dbraw/zinc/25/11/05/411251105.db2.gz NOMUNHRCLBAYAY-MCIONIFRSA-N 0 3 247.386 3.134 20 0 BGADHN C[C@@H]1CCCC[C@@H]1CN[C@@H]1CCCn2ccnc21 ZINC000655700697 411251221 /nfs/dbraw/zinc/25/12/21/411251221.db2.gz NOMUNHRCLBAYAY-MGPQQGTHSA-N 0 3 247.386 3.134 20 0 BGADHN C[C@@H]1CCCC[C@H]1CN[C@H]1CCCn2ccnc21 ZINC000655700698 411251057 /nfs/dbraw/zinc/25/10/57/411251057.db2.gz NOMUNHRCLBAYAY-RDBSUJKOSA-N 0 3 247.386 3.134 20 0 BGADHN C[C@@H]1CCC[C@@H](C)C1N[C@@H]1CCCn2ccnc21 ZINC000655701102 490088981 /nfs/dbraw/zinc/08/89/81/490088981.db2.gz SRGCAEJLGMBSIE-JHJVBQTASA-N 0 3 247.386 3.132 20 0 BGADHN C[C@@H]1CCC[C@H](C)[C@H]1N[C@H]1CCCn2ccnc21 ZINC000655701103 490089012 /nfs/dbraw/zinc/08/90/12/490089012.db2.gz SRGCAEJLGMBSIE-RFQIPJPRSA-N 0 3 247.386 3.132 20 0 BGADHN C[C@@H]1CCC[C@H](C)[C@H]1N[C@@H]1CCCn2ccnc21 ZINC000655701104 487543469 /nfs/dbraw/zinc/54/34/69/487543469.db2.gz SRGCAEJLGMBSIE-RQJABVFESA-N 0 3 247.386 3.132 20 0 BGADHN C[C@@H]1CCC[C@@H](C)C1N[C@H]1CCCn2ccnc21 ZINC000655701105 487543429 /nfs/dbraw/zinc/54/34/29/487543429.db2.gz SRGCAEJLGMBSIE-UPJWGTAASA-N 0 3 247.386 3.132 20 0 BGADHN C[C@H](CN[C@@H](C)c1cn2ccccc2n1)C1CC1 ZINC000655702203 487544398 /nfs/dbraw/zinc/54/43/98/487544398.db2.gz ZONURJUFYCZZPR-NEPJUHHUSA-N 0 3 243.354 3.031 20 0 BGADHN C[C@@H](CN[C@H](C)c1cn2ccccc2n1)C1CC1 ZINC000655702204 487544721 /nfs/dbraw/zinc/54/47/21/487544721.db2.gz ZONURJUFYCZZPR-NWDGAFQWSA-N 0 3 243.354 3.031 20 0 BGADHN C[C@@H](CN[C@@H](C)c1cn2ccccc2n1)C1CC1 ZINC000655702205 487544359 /nfs/dbraw/zinc/54/43/59/487544359.db2.gz ZONURJUFYCZZPR-RYUDHWBXSA-N 0 3 243.354 3.031 20 0 BGADHN C[C@@H](NC[C@@H](C)C1CC1)c1cn2ccccc2n1 ZINC000655702206 487544707 /nfs/dbraw/zinc/54/47/07/487544707.db2.gz ZONURJUFYCZZPR-VXGBXAGGSA-N 0 3 243.354 3.031 20 0 BGADHN c1c(CNC2CCCCCC2)nn2c1CCCC2 ZINC000655703129 491062132 /nfs/dbraw/zinc/06/21/32/491062132.db2.gz APGMCZAEVIWHCF-UHFFFAOYSA-N 0 3 247.386 3.032 20 0 BGADHN CC(C)CC[C@@H](C)NCc1cc2n(n1)CCCC2 ZINC000655703937 411254714 /nfs/dbraw/zinc/25/47/14/411254714.db2.gz NVXDSIYLOSQJOR-CYBMUJFWSA-N 0 3 249.402 3.134 20 0 BGADHN CC(C)CC[C@H](C)NCc1cc2n(n1)CCCC2 ZINC000655703938 411254586 /nfs/dbraw/zinc/25/45/86/411254586.db2.gz NVXDSIYLOSQJOR-ZDUSSCGKSA-N 0 3 249.402 3.134 20 0 BGADHN CC1CCC(CN[C@@H]2CCCn3ccnc32)CC1 ZINC000655706913 411257265 /nfs/dbraw/zinc/25/72/65/411257265.db2.gz OOFWPASIVPNXTR-JXQTWKCFSA-N 0 3 247.386 3.134 20 0 BGADHN CC1CCC(CN[C@H]2CCCn3ccnc32)CC1 ZINC000655706915 411257015 /nfs/dbraw/zinc/25/70/15/411257015.db2.gz OOFWPASIVPNXTR-RUXDESIVSA-N 0 3 247.386 3.134 20 0 BGADHN C[C@@H]1CCC[C@H](CN[C@@H]2CCCn3ccnc32)C1 ZINC000655706952 411257130 /nfs/dbraw/zinc/25/71/30/411257130.db2.gz PUEGBCMPQGKGQK-HZSPNIEDSA-N 0 3 247.386 3.134 20 0 BGADHN C[C@@H]1CCC[C@@H](CN[C@H]2CCCn3ccnc32)C1 ZINC000655706954 411257365 /nfs/dbraw/zinc/25/73/65/411257365.db2.gz PUEGBCMPQGKGQK-MCIONIFRSA-N 0 3 247.386 3.134 20 0 BGADHN C[C@@H]1CCC[C@@H](CN[C@@H]2CCCn3ccnc32)C1 ZINC000655706957 411257120 /nfs/dbraw/zinc/25/71/20/411257120.db2.gz PUEGBCMPQGKGQK-MGPQQGTHSA-N 0 3 247.386 3.134 20 0 BGADHN C[C@@H]1CCC[C@H](CN[C@H]2CCCn3ccnc32)C1 ZINC000655706959 411257436 /nfs/dbraw/zinc/25/74/36/411257436.db2.gz PUEGBCMPQGKGQK-RDBSUJKOSA-N 0 3 247.386 3.134 20 0 BGADHN C[C@@H]1CC[C@H](N[C@H]2CCCn3ccnc32)[C@H](C)C1 ZINC000655710929 411262846 /nfs/dbraw/zinc/26/28/46/411262846.db2.gz DKFIQOVYKLZBIK-MQYQWHSLSA-N 0 3 247.386 3.132 20 0 BGADHN C[C@@H]1CC[C@H](N[C@H]2CCCn3ccnc32)[C@@H](C)C1 ZINC000655710930 411263155 /nfs/dbraw/zinc/26/31/55/411263155.db2.gz DKFIQOVYKLZBIK-RFGFWPKPSA-N 0 3 247.386 3.132 20 0 BGADHN C[C@@H]1CC[C@H](N[C@@H]2CCCn3ccnc32)[C@H](C)C1 ZINC000655710931 411263805 /nfs/dbraw/zinc/26/38/05/411263805.db2.gz DKFIQOVYKLZBIK-YIYPIFLZSA-N 0 3 247.386 3.132 20 0 BGADHN C[C@@H]1CC[C@H](N[C@@H]2CCCn3ccnc32)[C@@H](C)C1 ZINC000655710932 411263167 /nfs/dbraw/zinc/26/31/67/411263167.db2.gz DKFIQOVYKLZBIK-ZOBORPQBSA-N 0 3 247.386 3.132 20 0 BGADHN C[C@H](N[C@@H]1CC[C@H](C)SC1)c1cccnc1 ZINC000655712867 411267025 /nfs/dbraw/zinc/26/70/25/411267025.db2.gz XHUZHGQIZNOVEH-GMXVVIOVSA-N 0 3 236.384 3.016 20 0 BGADHN C[C@H](N[C@H]1CC[C@H](C)SC1)c1cccnc1 ZINC000655712868 411267133 /nfs/dbraw/zinc/26/71/33/411267133.db2.gz XHUZHGQIZNOVEH-GVXVVHGQSA-N 0 3 236.384 3.016 20 0 BGADHN C[C@@H]1CC[C@H](NCc2ccc(Cl)o2)CS1 ZINC000655713412 411266547 /nfs/dbraw/zinc/26/65/47/411266547.db2.gz LVOXFOZEPRLBKK-BDAKNGLRSA-N 0 3 245.775 3.307 20 0 BGADHN C[C@H]1CC[C@@H](NCc2ccc(Cl)o2)CS1 ZINC000655713413 411266947 /nfs/dbraw/zinc/26/69/47/411266947.db2.gz LVOXFOZEPRLBKK-DTWKUNHWSA-N 0 3 245.775 3.307 20 0 BGADHN C[C@H]1CC[C@H](NCc2ccc(Cl)o2)CS1 ZINC000655713414 411267108 /nfs/dbraw/zinc/26/71/08/411267108.db2.gz LVOXFOZEPRLBKK-IUCAKERBSA-N 0 3 245.775 3.307 20 0 BGADHN C[C@@H]1CC[C@@H](NCc2ccc(Cl)o2)CS1 ZINC000655713415 411267232 /nfs/dbraw/zinc/26/72/32/411267232.db2.gz LVOXFOZEPRLBKK-RKDXNWHRSA-N 0 3 245.775 3.307 20 0 BGADHN C[C@H](N[C@@H]1CCCn2ccnc21)C1CCCCC1 ZINC000655715222 411268383 /nfs/dbraw/zinc/26/83/83/411268383.db2.gz HREFSHKLVKSZAS-GXTWGEPZSA-N 0 3 247.386 3.276 20 0 BGADHN C[C@H](N[C@H]1CCCn2ccnc21)C1CCCCC1 ZINC000655715223 411268525 /nfs/dbraw/zinc/26/85/25/411268525.db2.gz HREFSHKLVKSZAS-JSGCOSHPSA-N 0 3 247.386 3.276 20 0 BGADHN C[C@@H](N[C@H]1CCCn2ccnc21)C1CCCCC1 ZINC000655715224 411268500 /nfs/dbraw/zinc/26/85/00/411268500.db2.gz HREFSHKLVKSZAS-OCCSQVGLSA-N 0 3 247.386 3.276 20 0 BGADHN C[C@@H](N[C@@H]1CCCn2ccnc21)C1CCCCC1 ZINC000655715225 411268557 /nfs/dbraw/zinc/26/85/57/411268557.db2.gz HREFSHKLVKSZAS-TZMCWYRMSA-N 0 3 247.386 3.276 20 0 BGADHN CC1(C)CCC(N[C@@H]2CCCn3ccnc32)CC1 ZINC000655716266 411271452 /nfs/dbraw/zinc/27/14/52/411271452.db2.gz VHSROLJBFJTRHL-CYBMUJFWSA-N 0 3 247.386 3.276 20 0 BGADHN CC1(C)CCC(N[C@H]2CCCn3ccnc32)CC1 ZINC000655716267 411271836 /nfs/dbraw/zinc/27/18/36/411271836.db2.gz VHSROLJBFJTRHL-ZDUSSCGKSA-N 0 3 247.386 3.276 20 0 BGADHN CC[C@@H]1CCC[C@H](N[C@@H]2CCCn3ccnc32)C1 ZINC000655716589 411271607 /nfs/dbraw/zinc/27/16/07/411271607.db2.gz YQSDQORMCONOOT-HZSPNIEDSA-N 0 3 247.386 3.276 20 0 BGADHN CC[C@@H]1CCC[C@@H](N[C@H]2CCCn3ccnc32)C1 ZINC000655716590 411271770 /nfs/dbraw/zinc/27/17/70/411271770.db2.gz YQSDQORMCONOOT-MCIONIFRSA-N 0 3 247.386 3.276 20 0 BGADHN CC[C@@H]1CCC[C@@H](N[C@@H]2CCCn3ccnc32)C1 ZINC000655716591 411271155 /nfs/dbraw/zinc/27/11/55/411271155.db2.gz YQSDQORMCONOOT-MGPQQGTHSA-N 0 3 247.386 3.276 20 0 BGADHN CC[C@@H]1CCC[C@H](N[C@H]2CCCn3ccnc32)C1 ZINC000655716592 411271080 /nfs/dbraw/zinc/27/10/80/411271080.db2.gz YQSDQORMCONOOT-RDBSUJKOSA-N 0 3 247.386 3.276 20 0 BGADHN C[C@H](N[C@@H]1CC[C@H](C)SC1)c1ccccn1 ZINC000655720957 411293582 /nfs/dbraw/zinc/29/35/82/411293582.db2.gz KDKNZBHKKIRYDN-SDDRHHMPSA-N 0 3 236.384 3.016 20 0 BGADHN C[C@H](N[C@H]1CC[C@H](C)SC1)c1ccccn1 ZINC000655720958 411293547 /nfs/dbraw/zinc/29/35/47/411293547.db2.gz KDKNZBHKKIRYDN-SRVKXCTJSA-N 0 3 236.384 3.016 20 0 BGADHN CC1(C)CCCC[C@H]1N[C@@H]1CCCn2ccnc21 ZINC000655723436 411296170 /nfs/dbraw/zinc/29/61/70/411296170.db2.gz NVRQKQPDXRRNAI-CHWSQXEVSA-N 0 3 247.386 3.276 20 0 BGADHN CC1(C)CCCC[C@@H]1N[C@@H]1CCCn2ccnc21 ZINC000655723437 411295954 /nfs/dbraw/zinc/29/59/54/411295954.db2.gz NVRQKQPDXRRNAI-OLZOCXBDSA-N 0 3 247.386 3.276 20 0 BGADHN CC1(C)CCCC[C@H]1N[C@H]1CCCn2ccnc21 ZINC000655723438 411296447 /nfs/dbraw/zinc/29/64/47/411296447.db2.gz NVRQKQPDXRRNAI-QWHCGFSZSA-N 0 3 247.386 3.276 20 0 BGADHN CC1(C)CCCC[C@@H]1N[C@H]1CCCn2ccnc21 ZINC000655723439 411296868 /nfs/dbraw/zinc/29/68/68/411296868.db2.gz NVRQKQPDXRRNAI-STQMWFEESA-N 0 3 247.386 3.276 20 0 BGADHN CCC1(CN[C@@H]2CCCn3ccnc32)CCCC1 ZINC000655723459 411297119 /nfs/dbraw/zinc/29/71/19/411297119.db2.gz OIQXVFPZNISXDM-CYBMUJFWSA-N 0 3 247.386 3.278 20 0 BGADHN CCC1(CN[C@H]2CCCn3ccnc32)CCCC1 ZINC000655723460 411296897 /nfs/dbraw/zinc/29/68/97/411296897.db2.gz OIQXVFPZNISXDM-ZDUSSCGKSA-N 0 3 247.386 3.278 20 0 BGADHN CC1(NCc2cc3n(n2)CCCC3)CCCCC1 ZINC000655727568 411357245 /nfs/dbraw/zinc/35/72/45/411357245.db2.gz OUWRXOIESZSPNI-UHFFFAOYSA-N 0 3 247.386 3.032 20 0 BGADHN C[C@H]1CC(N[C@H]2CCCn3ccnc32)C[C@H](C)C1 ZINC000655727664 411360902 /nfs/dbraw/zinc/36/09/02/411360902.db2.gz SXCWUDBCQZHEGN-BZPMIXESSA-N 0 3 247.386 3.132 20 0 BGADHN C[C@H]1C[C@H](N[C@H]2CCCn3ccnc32)C[C@@H](C)C1 ZINC000655727665 411360967 /nfs/dbraw/zinc/36/09/67/411360967.db2.gz SXCWUDBCQZHEGN-DGAVXFQQSA-N 0 3 247.386 3.132 20 0 BGADHN C[C@H]1CC(N[C@@H]2CCCn3ccnc32)C[C@H](C)C1 ZINC000655727666 411360929 /nfs/dbraw/zinc/36/09/29/411360929.db2.gz SXCWUDBCQZHEGN-YRGRVCCFSA-N 0 3 247.386 3.132 20 0 BGADHN C[C@H]1C[C@H](N[C@@H]2CCCn3ccnc32)C[C@@H](C)C1 ZINC000655727667 411360841 /nfs/dbraw/zinc/36/08/41/411360841.db2.gz SXCWUDBCQZHEGN-ZOBORPQBSA-N 0 3 247.386 3.132 20 0 BGADHN CC(C)CC1(CN[C@@H]2CCCn3ccnc32)CC1 ZINC000655729825 411375083 /nfs/dbraw/zinc/37/50/83/411375083.db2.gz FHDYQZXVJYARTP-CYBMUJFWSA-N 0 3 247.386 3.134 20 0 BGADHN CC(C)CC1(CN[C@H]2CCCn3ccnc32)CC1 ZINC000655729826 411374604 /nfs/dbraw/zinc/37/46/04/411374604.db2.gz FHDYQZXVJYARTP-ZDUSSCGKSA-N 0 3 247.386 3.134 20 0 BGADHN CC(C)(C)CCCN[C@@H]1CCCn2ccnc21 ZINC000655731348 487913213 /nfs/dbraw/zinc/91/32/13/487913213.db2.gz WUGNFAMETFIDFY-GFCCVEGCSA-N 0 3 235.375 3.134 20 0 BGADHN CC(C)(C)CCCN[C@H]1CCCn2ccnc21 ZINC000655731351 636544830 /nfs/dbraw/zinc/54/48/30/636544830.db2.gz WUGNFAMETFIDFY-LBPRGKRZSA-N 0 3 235.375 3.134 20 0 BGADHN CC[C@H](C)C[C@H](C)N[C@H]1CCCn2ccnc21 ZINC000655731890 411397965 /nfs/dbraw/zinc/39/79/65/411397965.db2.gz VIRHWAYKPFUJBE-AVGNSLFASA-N 0 3 235.375 3.132 20 0 BGADHN CC[C@H](C)C[C@H](C)N[C@@H]1CCCn2ccnc21 ZINC000655731891 411398024 /nfs/dbraw/zinc/39/80/24/411398024.db2.gz VIRHWAYKPFUJBE-RWMBFGLXSA-N 0 3 235.375 3.132 20 0 BGADHN CC[C@H](C)C[C@@H](C)N[C@H]1CCCn2ccnc21 ZINC000655731892 411397769 /nfs/dbraw/zinc/39/77/69/411397769.db2.gz VIRHWAYKPFUJBE-XQQFMLRXSA-N 0 3 235.375 3.132 20 0 BGADHN CC[C@H](C)C[C@@H](C)N[C@@H]1CCCn2ccnc21 ZINC000655731893 411397853 /nfs/dbraw/zinc/39/78/53/411397853.db2.gz VIRHWAYKPFUJBE-YNEHKIRRSA-N 0 3 235.375 3.132 20 0 BGADHN CC(C)CC(C)(C)CN[C@@H]1CCCn2ccnc21 ZINC000655732057 411398890 /nfs/dbraw/zinc/39/88/90/411398890.db2.gz WSYKTOKDWSJLTP-CYBMUJFWSA-N 0 3 249.402 3.380 20 0 BGADHN CC(C)CC(C)(C)CN[C@H]1CCCn2ccnc21 ZINC000655732058 411399019 /nfs/dbraw/zinc/39/90/19/411399019.db2.gz WSYKTOKDWSJLTP-ZDUSSCGKSA-N 0 3 249.402 3.380 20 0 BGADHN CC1(CN[C@@H]2CCCn3ccnc32)CCCCC1 ZINC000655732477 411413895 /nfs/dbraw/zinc/41/38/95/411413895.db2.gz CQHZPKCPSDWFQG-CYBMUJFWSA-N 0 3 247.386 3.278 20 0 BGADHN CC1(CN[C@H]2CCCn3ccnc32)CCCCC1 ZINC000655732478 411413263 /nfs/dbraw/zinc/41/32/63/411413263.db2.gz CQHZPKCPSDWFQG-ZDUSSCGKSA-N 0 3 247.386 3.278 20 0 BGADHN CCCC1(CN[C@@H]2CCCn3ccnc32)CCC1 ZINC000655733758 411442480 /nfs/dbraw/zinc/44/24/80/411442480.db2.gz QGDAUUHOMZTXOS-CYBMUJFWSA-N 0 3 247.386 3.278 20 0 BGADHN CCCC1(CN[C@H]2CCCn3ccnc32)CCC1 ZINC000655733759 411442013 /nfs/dbraw/zinc/44/20/13/411442013.db2.gz QGDAUUHOMZTXOS-ZDUSSCGKSA-N 0 3 247.386 3.278 20 0 BGADHN CC(C)(C)CCCNCc1cc2n(n1)CCCC2 ZINC000655742169 411442488 /nfs/dbraw/zinc/44/24/88/411442488.db2.gz PSHNOIPCFLADIK-UHFFFAOYSA-N 0 3 249.402 3.135 20 0 BGADHN CC[C@@H](C)C[C@@H](C)NCc1cc2n(n1)CCCC2 ZINC000655743110 411447408 /nfs/dbraw/zinc/44/74/08/411447408.db2.gz FFGHSVPLJJDRAF-CHWSQXEVSA-N 0 3 249.402 3.134 20 0 BGADHN CC[C@@H](C)C[C@H](C)NCc1cc2n(n1)CCCC2 ZINC000655743111 411447456 /nfs/dbraw/zinc/44/74/56/411447456.db2.gz FFGHSVPLJJDRAF-OLZOCXBDSA-N 0 3 249.402 3.134 20 0 BGADHN CC[C@H](C)C[C@@H](C)NCc1cc2n(n1)CCCC2 ZINC000655743112 411447480 /nfs/dbraw/zinc/44/74/80/411447480.db2.gz FFGHSVPLJJDRAF-QWHCGFSZSA-N 0 3 249.402 3.134 20 0 BGADHN CC[C@H](C)C[C@H](C)NCc1cc2n(n1)CCCC2 ZINC000655743113 411446945 /nfs/dbraw/zinc/44/69/45/411446945.db2.gz FFGHSVPLJJDRAF-STQMWFEESA-N 0 3 249.402 3.134 20 0 BGADHN Cc1cc(C)nc(N[C@H]2CC[C@@H](C)SC2)c1 ZINC000655746142 411448124 /nfs/dbraw/zinc/44/81/24/411448124.db2.gz OCEMQSVVMVAWCD-NEPJUHHUSA-N 0 3 236.384 3.394 20 0 BGADHN Cc1cc(C)nc(N[C@@H]2CC[C@H](C)SC2)c1 ZINC000655746143 411448477 /nfs/dbraw/zinc/44/84/77/411448477.db2.gz OCEMQSVVMVAWCD-NWDGAFQWSA-N 0 3 236.384 3.394 20 0 BGADHN Cc1cc(C)nc(N[C@H]2CC[C@H](C)SC2)c1 ZINC000655746144 411448580 /nfs/dbraw/zinc/44/85/80/411448580.db2.gz OCEMQSVVMVAWCD-RYUDHWBXSA-N 0 3 236.384 3.394 20 0 BGADHN Cc1cc(C)nc(N[C@@H]2CC[C@@H](C)SC2)c1 ZINC000655746145 411448139 /nfs/dbraw/zinc/44/81/39/411448139.db2.gz OCEMQSVVMVAWCD-VXGBXAGGSA-N 0 3 236.384 3.394 20 0 BGADHN COCC1(N[C@H]2CCc3cc(C)cc(C)c32)CC1 ZINC000655746240 411448472 /nfs/dbraw/zinc/44/84/72/411448472.db2.gz QNAXCXFGXZUVMK-AWEZNQCLSA-N 0 3 245.366 3.059 20 0 BGADHN COCC1(N[C@@H]2CCc3cc(C)cc(C)c32)CC1 ZINC000655746241 411448388 /nfs/dbraw/zinc/44/83/88/411448388.db2.gz QNAXCXFGXZUVMK-CQSZACIVSA-N 0 3 245.366 3.059 20 0 BGADHN C[C@@H]1CC[C@H](N[C@H]2CCCn3ccnc32)C[C@H]1C ZINC000655754293 411184522 /nfs/dbraw/zinc/18/45/22/411184522.db2.gz RICPJDPIQQQOKR-MQYQWHSLSA-N 0 3 247.386 3.132 20 0 BGADHN C[C@@H]1CC[C@H](N[C@H]2CCCn3ccnc32)C[C@@H]1C ZINC000655754294 411184315 /nfs/dbraw/zinc/18/43/15/411184315.db2.gz RICPJDPIQQQOKR-RFGFWPKPSA-N 0 3 247.386 3.132 20 0 BGADHN C[C@@H]1CC[C@H](N[C@@H]2CCCn3ccnc32)C[C@H]1C ZINC000655754295 411184589 /nfs/dbraw/zinc/18/45/89/411184589.db2.gz RICPJDPIQQQOKR-YIYPIFLZSA-N 0 3 247.386 3.132 20 0 BGADHN C[C@@H]1CC[C@H](N[C@@H]2CCCn3ccnc32)C[C@@H]1C ZINC000655754296 411184092 /nfs/dbraw/zinc/18/40/92/411184092.db2.gz RICPJDPIQQQOKR-ZOBORPQBSA-N 0 3 247.386 3.132 20 0 BGADHN CC1(C)CCC[C@@H](N[C@@H]2CCCn3ccnc32)C1 ZINC000655757769 411189158 /nfs/dbraw/zinc/18/91/58/411189158.db2.gz KZOPFUVJZANBTN-CHWSQXEVSA-N 0 3 247.386 3.276 20 0 BGADHN CC1(C)CCC[C@@H](N[C@H]2CCCn3ccnc32)C1 ZINC000655757770 411189123 /nfs/dbraw/zinc/18/91/23/411189123.db2.gz KZOPFUVJZANBTN-OLZOCXBDSA-N 0 3 247.386 3.276 20 0 BGADHN CC1(C)CCC[C@H](N[C@@H]2CCCn3ccnc32)C1 ZINC000655757771 411188941 /nfs/dbraw/zinc/18/89/41/411188941.db2.gz KZOPFUVJZANBTN-QWHCGFSZSA-N 0 3 247.386 3.276 20 0 BGADHN CC1(C)CCC[C@H](N[C@H]2CCCn3ccnc32)C1 ZINC000655757772 411189197 /nfs/dbraw/zinc/18/91/97/411189197.db2.gz KZOPFUVJZANBTN-STQMWFEESA-N 0 3 247.386 3.276 20 0 BGADHN CC(C)C(CN[C@H]1CCCn2ccnc21)C(C)C ZINC000655758053 411188845 /nfs/dbraw/zinc/18/88/45/411188845.db2.gz PEJAVPWWOVODDW-AWEZNQCLSA-N 0 3 249.402 3.236 20 0 BGADHN CC(C)C(CN[C@@H]1CCCn2ccnc21)C(C)C ZINC000655758054 411189143 /nfs/dbraw/zinc/18/91/43/411189143.db2.gz PEJAVPWWOVODDW-CQSZACIVSA-N 0 3 249.402 3.236 20 0 BGADHN C[C@@H]1CCC[C@H](N[C@@H]2CCCn3ccnc32)CC1 ZINC000655758735 411189574 /nfs/dbraw/zinc/18/95/74/411189574.db2.gz YXCFNTCRRIRWBO-HZSPNIEDSA-N 0 3 247.386 3.276 20 0 BGADHN C[C@@H]1CCC[C@@H](N[C@H]2CCCn3ccnc32)CC1 ZINC000655758736 411189590 /nfs/dbraw/zinc/18/95/90/411189590.db2.gz YXCFNTCRRIRWBO-MCIONIFRSA-N 0 3 247.386 3.276 20 0 BGADHN C[C@@H]1CCC[C@@H](N[C@@H]2CCCn3ccnc32)CC1 ZINC000655758737 411189560 /nfs/dbraw/zinc/18/95/60/411189560.db2.gz YXCFNTCRRIRWBO-MGPQQGTHSA-N 0 3 247.386 3.276 20 0 BGADHN C[C@@H]1CCC[C@H](N[C@H]2CCCn3ccnc32)CC1 ZINC000655758738 411189583 /nfs/dbraw/zinc/18/95/83/411189583.db2.gz YXCFNTCRRIRWBO-RDBSUJKOSA-N 0 3 247.386 3.276 20 0 BGADHN c1cn2c(n1)[C@H](NC1CCC3(CC3)CC1)CCC2 ZINC000655759075 488051550 /nfs/dbraw/zinc/05/15/50/488051550.db2.gz IUOFUTUHZQPKLC-CYBMUJFWSA-N 0 3 245.370 3.030 20 0 BGADHN c1cn2c(n1)[C@@H](NC1CCC3(CC3)CC1)CCC2 ZINC000655759077 488051811 /nfs/dbraw/zinc/05/18/11/488051811.db2.gz IUOFUTUHZQPKLC-ZDUSSCGKSA-N 0 3 245.370 3.030 20 0 BGADHN CC(C)(C)C1CC(N[C@H]2CCCn3ccnc32)C1 ZINC000655770208 411252261 /nfs/dbraw/zinc/25/22/61/411252261.db2.gz CAHMWJYTPPGVDJ-BPCQOVAHSA-N 0 3 247.386 3.132 20 0 BGADHN CC(C)(C)C1CC(N[C@@H]2CCCn3ccnc32)C1 ZINC000655770209 411251898 /nfs/dbraw/zinc/25/18/98/411251898.db2.gz CAHMWJYTPPGVDJ-WXRRBKDZSA-N 0 3 247.386 3.132 20 0 BGADHN CC[C@H]1CC[C@H](N[C@H]2CCCn3ccnc32)CC1 ZINC000655770875 411252774 /nfs/dbraw/zinc/25/27/74/411252774.db2.gz SQTCCLFFYBWSKJ-IHRRRGAJSA-N 0 3 247.386 3.276 20 0 BGADHN CC[C@H]1CC[C@H](N[C@@H]2CCCn3ccnc32)CC1 ZINC000655770876 411253054 /nfs/dbraw/zinc/25/30/54/411253054.db2.gz SQTCCLFFYBWSKJ-MGPQQGTHSA-N 0 3 247.386 3.276 20 0 BGADHN CC(C)(C)C(C)(C)CN[C@@H]1CCCn2ccnc21 ZINC000655770919 411252837 /nfs/dbraw/zinc/25/28/37/411252837.db2.gz UFJODVSSBPPJPX-GFCCVEGCSA-N 0 3 249.402 3.380 20 0 BGADHN CC(C)(C)C(C)(C)CN[C@H]1CCCn2ccnc21 ZINC000655770920 411252792 /nfs/dbraw/zinc/25/27/92/411252792.db2.gz UFJODVSSBPPJPX-LBPRGKRZSA-N 0 3 249.402 3.380 20 0 BGADHN CC(C)(CCN[C@@H]1CCCn2ccnc21)C1CC1 ZINC000655771387 411253756 /nfs/dbraw/zinc/25/37/56/411253756.db2.gz JPKIESUSTAOFRJ-CYBMUJFWSA-N 0 3 247.386 3.134 20 0 BGADHN CC(C)(CCN[C@H]1CCCn2ccnc21)C1CC1 ZINC000655771388 411254154 /nfs/dbraw/zinc/25/41/54/411254154.db2.gz JPKIESUSTAOFRJ-ZDUSSCGKSA-N 0 3 247.386 3.134 20 0 BGADHN CC1(C)CCC[C@@H]1CN[C@@H]1CCCn2ccnc21 ZINC000655771900 411253721 /nfs/dbraw/zinc/25/37/21/411253721.db2.gz QMAWIBKZRCCFSL-CHWSQXEVSA-N 0 3 247.386 3.134 20 0 BGADHN CC1(C)CCC[C@@H]1CN[C@H]1CCCn2ccnc21 ZINC000655771901 411253832 /nfs/dbraw/zinc/25/38/32/411253832.db2.gz QMAWIBKZRCCFSL-OLZOCXBDSA-N 0 3 247.386 3.134 20 0 BGADHN CC1(C)CCC[C@H]1CN[C@@H]1CCCn2ccnc21 ZINC000655771902 411254094 /nfs/dbraw/zinc/25/40/94/411254094.db2.gz QMAWIBKZRCCFSL-QWHCGFSZSA-N 0 3 247.386 3.134 20 0 BGADHN CC1(C)CCC[C@H]1CN[C@H]1CCCn2ccnc21 ZINC000655771903 411253956 /nfs/dbraw/zinc/25/39/56/411253956.db2.gz QMAWIBKZRCCFSL-STQMWFEESA-N 0 3 247.386 3.134 20 0 BGADHN CC[C@@H]1CCC[C@H]1CN[C@@H]1CCCn2ccnc21 ZINC000655772167 411253985 /nfs/dbraw/zinc/25/39/85/411253985.db2.gz BZDIHXIBLGJJEY-HZSPNIEDSA-N 0 3 247.386 3.134 20 0 BGADHN CC[C@@H]1CCC[C@@H]1CN[C@H]1CCCn2ccnc21 ZINC000655772169 411253962 /nfs/dbraw/zinc/25/39/62/411253962.db2.gz BZDIHXIBLGJJEY-MCIONIFRSA-N 0 3 247.386 3.134 20 0 BGADHN CC[C@@H]1CCC[C@@H]1CN[C@@H]1CCCn2ccnc21 ZINC000655772171 411253793 /nfs/dbraw/zinc/25/37/93/411253793.db2.gz BZDIHXIBLGJJEY-MGPQQGTHSA-N 0 3 247.386 3.134 20 0 BGADHN CC[C@@H]1CCC[C@H]1CN[C@H]1CCCn2ccnc21 ZINC000655772172 411253645 /nfs/dbraw/zinc/25/36/45/411253645.db2.gz BZDIHXIBLGJJEY-RDBSUJKOSA-N 0 3 247.386 3.134 20 0 BGADHN CC(C)(CN[C@@H]1CCCn2ccnc21)C1CCC1 ZINC000655772262 411253902 /nfs/dbraw/zinc/25/39/02/411253902.db2.gz LVINWHXMZOBINO-CYBMUJFWSA-N 0 3 247.386 3.134 20 0 BGADHN CC(C)(CN[C@H]1CCCn2ccnc21)C1CCC1 ZINC000655772263 411254134 /nfs/dbraw/zinc/25/41/34/411254134.db2.gz LVINWHXMZOBINO-ZDUSSCGKSA-N 0 3 247.386 3.134 20 0 BGADHN c1cn2c(n1)[C@@H](NCC1CCCCCC1)CCC2 ZINC000655772862 411255772 /nfs/dbraw/zinc/25/57/72/411255772.db2.gz UASKKQVMNXLBFC-AWEZNQCLSA-N 0 3 247.386 3.278 20 0 BGADHN c1cn2c(n1)[C@H](NCC1CCCCCC1)CCC2 ZINC000655772863 411255833 /nfs/dbraw/zinc/25/58/33/411255833.db2.gz UASKKQVMNXLBFC-CQSZACIVSA-N 0 3 247.386 3.278 20 0 BGADHN CC(C)=CCC[C@H](C)N[C@H]1CCCn2ccnc21 ZINC000655773414 411256797 /nfs/dbraw/zinc/25/67/97/411256797.db2.gz YZUJKSZKKLBWNE-KBPBESRZSA-N 0 3 247.386 3.443 20 0 BGADHN CC(C)=CCC[C@@H](C)N[C@H]1CCCn2ccnc21 ZINC000655773418 411256787 /nfs/dbraw/zinc/25/67/87/411256787.db2.gz YZUJKSZKKLBWNE-KGLIPLIRSA-N 0 3 247.386 3.443 20 0 BGADHN CC(C)=CCC[C@H](C)N[C@@H]1CCCn2ccnc21 ZINC000655773420 411256666 /nfs/dbraw/zinc/25/66/66/411256666.db2.gz YZUJKSZKKLBWNE-UONOGXRCSA-N 0 3 247.386 3.443 20 0 BGADHN CC(C)=CCC[C@@H](C)N[C@@H]1CCCn2ccnc21 ZINC000655773421 411256618 /nfs/dbraw/zinc/25/66/18/411256618.db2.gz YZUJKSZKKLBWNE-ZIAGYGMSSA-N 0 3 247.386 3.443 20 0 BGADHN CC[C@H](N[C@H]1CCCn2ccnc21)C1CCCC1 ZINC000655773978 411257058 /nfs/dbraw/zinc/25/70/58/411257058.db2.gz MLCWSCZAEXVRHK-KBPBESRZSA-N 0 3 247.386 3.276 20 0 BGADHN CC[C@@H](N[C@H]1CCCn2ccnc21)C1CCCC1 ZINC000655773979 411256975 /nfs/dbraw/zinc/25/69/75/411256975.db2.gz MLCWSCZAEXVRHK-KGLIPLIRSA-N 0 3 247.386 3.276 20 0 BGADHN CC[C@H](N[C@@H]1CCCn2ccnc21)C1CCCC1 ZINC000655773980 411256989 /nfs/dbraw/zinc/25/69/89/411256989.db2.gz MLCWSCZAEXVRHK-UONOGXRCSA-N 0 3 247.386 3.276 20 0 BGADHN CC[C@@H](N[C@@H]1CCCn2ccnc21)C1CCCC1 ZINC000655773981 411257102 /nfs/dbraw/zinc/25/71/02/411257102.db2.gz MLCWSCZAEXVRHK-ZIAGYGMSSA-N 0 3 247.386 3.276 20 0 BGADHN C[C@H](CC(C)(C)C)N[C@H]1CCCn2ccnc21 ZINC000655775508 411274721 /nfs/dbraw/zinc/27/47/21/411274721.db2.gz ZVAVDXMZJKHSFW-NEPJUHHUSA-N 0 3 235.375 3.132 20 0 BGADHN C[C@@H](CC(C)(C)C)N[C@@H]1CCCn2ccnc21 ZINC000655775509 411274686 /nfs/dbraw/zinc/27/46/86/411274686.db2.gz ZVAVDXMZJKHSFW-NWDGAFQWSA-N 0 3 235.375 3.132 20 0 BGADHN C[C@@H](CC(C)(C)C)N[C@H]1CCCn2ccnc21 ZINC000655775510 411274697 /nfs/dbraw/zinc/27/46/97/411274697.db2.gz ZVAVDXMZJKHSFW-RYUDHWBXSA-N 0 3 235.375 3.132 20 0 BGADHN C[C@H](CC(C)(C)C)N[C@@H]1CCCn2ccnc21 ZINC000655775511 411274729 /nfs/dbraw/zinc/27/47/29/411274729.db2.gz ZVAVDXMZJKHSFW-VXGBXAGGSA-N 0 3 235.375 3.132 20 0 BGADHN CC(C)(C)C(C)(C)NCc1cc2n(n1)CCCC2 ZINC000655776499 491077233 /nfs/dbraw/zinc/07/72/33/491077233.db2.gz LUFMDCHUCLKESH-UHFFFAOYSA-N 0 3 249.402 3.134 20 0 BGADHN CC[C@H](N[C@H]1CCCn2ccnc21)[C@H]1CC1(C)C ZINC000655777431 411297032 /nfs/dbraw/zinc/29/70/32/411297032.db2.gz VBUXQPNZPNJQBU-AGIUHOORSA-N 0 3 247.386 3.132 20 0 BGADHN CC[C@H](N[C@H]1CCCn2ccnc21)[C@@H]1CC1(C)C ZINC000655777433 411296827 /nfs/dbraw/zinc/29/68/27/411296827.db2.gz VBUXQPNZPNJQBU-AVGNSLFASA-N 0 3 247.386 3.132 20 0 BGADHN CC[C@H](N[C@@H]1CCCn2ccnc21)[C@H]1CC1(C)C ZINC000655777434 411297025 /nfs/dbraw/zinc/29/70/25/411297025.db2.gz VBUXQPNZPNJQBU-FRRDWIJNSA-N 0 3 247.386 3.132 20 0 BGADHN CC[C@H](N[C@@H]1CCCn2ccnc21)[C@@H]1CC1(C)C ZINC000655777437 411297037 /nfs/dbraw/zinc/29/70/37/411297037.db2.gz VBUXQPNZPNJQBU-RWMBFGLXSA-N 0 3 247.386 3.132 20 0 BGADHN c1cn2c(n1)[C@H](NC1(C3CCC3)CCC1)CCC2 ZINC000655777881 411297535 /nfs/dbraw/zinc/29/75/35/411297535.db2.gz YOGQKNILLOAKOK-CYBMUJFWSA-N 0 3 245.370 3.030 20 0 BGADHN c1cn2c(n1)[C@@H](NC1(C3CCC3)CCC1)CCC2 ZINC000655777882 411297572 /nfs/dbraw/zinc/29/75/72/411297572.db2.gz YOGQKNILLOAKOK-ZDUSSCGKSA-N 0 3 245.370 3.030 20 0 BGADHN CC[C@@H](N[C@@H]1CO[C@@H](C)C1)c1ccccc1F ZINC000655783472 411221364 /nfs/dbraw/zinc/22/13/64/411221364.db2.gz MTLBPGSWVMUBRC-COPLHBTASA-N 0 3 237.318 3.044 20 0 BGADHN CC[C@@H](N[C@H]1CO[C@H](C)C1)c1ccccc1F ZINC000655783473 411221511 /nfs/dbraw/zinc/22/15/11/411221511.db2.gz MTLBPGSWVMUBRC-JTNHKYCSSA-N 0 3 237.318 3.044 20 0 BGADHN CC[C@@H](N[C@H]1CO[C@@H](C)C1)c1ccccc1F ZINC000655783474 411221105 /nfs/dbraw/zinc/22/11/05/411221105.db2.gz MTLBPGSWVMUBRC-MISXGVKJSA-N 0 3 237.318 3.044 20 0 BGADHN CC[C@@H](N[C@@H]1CO[C@H](C)C1)c1ccccc1F ZINC000655783475 411221082 /nfs/dbraw/zinc/22/10/82/411221082.db2.gz MTLBPGSWVMUBRC-UHIISALHSA-N 0 3 237.318 3.044 20 0 BGADHN C[C@H](N[C@@H](C1CC1)[C@@H]1CCCCO1)c1ccco1 ZINC000655784954 411225093 /nfs/dbraw/zinc/22/50/93/411225093.db2.gz GRWICYLNVCZGSY-CQDKDKBSSA-N 0 3 249.354 3.278 20 0 BGADHN C[C@H](N[C@@H](C1CC1)[C@H]1CCCCO1)c1ccco1 ZINC000655784955 411224902 /nfs/dbraw/zinc/22/49/02/411224902.db2.gz GRWICYLNVCZGSY-GLQYFDAESA-N 0 3 249.354 3.278 20 0 BGADHN C[C@H](N[C@H](C1CC1)[C@H]1CCCCO1)c1ccco1 ZINC000655784956 411224872 /nfs/dbraw/zinc/22/48/72/411224872.db2.gz GRWICYLNVCZGSY-NILFDRSVSA-N 0 3 249.354 3.278 20 0 BGADHN C[C@H](N[C@H](C1CC1)[C@@H]1CCCCO1)c1ccco1 ZINC000655784957 411224711 /nfs/dbraw/zinc/22/47/11/411224711.db2.gz GRWICYLNVCZGSY-TUKIKUTGSA-N 0 3 249.354 3.278 20 0 BGADHN C[C@H](N[C@@H](C1CC1)[C@@H]1CCCCO1)c1ccoc1 ZINC000655788509 411268619 /nfs/dbraw/zinc/26/86/19/411268619.db2.gz KCSXXEGOHZELFW-CQDKDKBSSA-N 0 3 249.354 3.278 20 0 BGADHN C[C@H](N[C@@H](C1CC1)[C@H]1CCCCO1)c1ccoc1 ZINC000655788510 411268558 /nfs/dbraw/zinc/26/85/58/411268558.db2.gz KCSXXEGOHZELFW-GLQYFDAESA-N 0 3 249.354 3.278 20 0 BGADHN C[C@H](N[C@H](C1CC1)[C@H]1CCCCO1)c1ccoc1 ZINC000655788511 411268590 /nfs/dbraw/zinc/26/85/90/411268590.db2.gz KCSXXEGOHZELFW-NILFDRSVSA-N 0 3 249.354 3.278 20 0 BGADHN C[C@H](N[C@H](C1CC1)[C@@H]1CCCCO1)c1ccoc1 ZINC000655788512 411268539 /nfs/dbraw/zinc/26/85/39/411268539.db2.gz KCSXXEGOHZELFW-TUKIKUTGSA-N 0 3 249.354 3.278 20 0 BGADHN C[C@H](CC(C)(C)C)NCc1cc2n(n1)CCCC2 ZINC000655793117 411516151 /nfs/dbraw/zinc/51/61/51/411516151.db2.gz TYAWCSXQFWLHPL-GFCCVEGCSA-N 0 3 249.402 3.134 20 0 BGADHN C[C@@H](CC(C)(C)C)NCc1cc2n(n1)CCCC2 ZINC000655793118 411515735 /nfs/dbraw/zinc/51/57/35/411515735.db2.gz TYAWCSXQFWLHPL-LBPRGKRZSA-N 0 3 249.402 3.134 20 0 BGADHN Cc1ncncc1[C@@H](C)N[C@@H]1C[C@H]1CC(C)(C)C ZINC000655793443 411515649 /nfs/dbraw/zinc/51/56/49/411515649.db2.gz XAEIJFLQIXXMRW-MBNYWOFBSA-N 0 3 247.386 3.260 20 0 BGADHN Cc1ncncc1[C@H](C)N[C@@H]1C[C@H]1CC(C)(C)C ZINC000655793444 411515604 /nfs/dbraw/zinc/51/56/04/411515604.db2.gz XAEIJFLQIXXMRW-SGMGOOAPSA-N 0 3 247.386 3.260 20 0 BGADHN CC(C)(C)C[C@@H]1C[C@H]1N[C@H]1CCCn2ccnc21 ZINC000655793703 411516247 /nfs/dbraw/zinc/51/62/47/411516247.db2.gz ZLZPZMOFCZTGNU-RWMBFGLXSA-N 0 3 247.386 3.132 20 0 BGADHN CC(C)(C)C[C@@H]1C[C@H]1N[C@@H]1CCCn2ccnc21 ZINC000655793704 411515781 /nfs/dbraw/zinc/51/57/81/411515781.db2.gz ZLZPZMOFCZTGNU-YNEHKIRRSA-N 0 3 247.386 3.132 20 0 BGADHN CC[C@@H](N[C@H]1CCO[C@H]1C)c1ccccc1F ZINC000655799831 411516822 /nfs/dbraw/zinc/51/68/22/411516822.db2.gz PGQBRGZEGRKVML-GDLCADMTSA-N 0 3 237.318 3.044 20 0 BGADHN CC[C@@H](N[C@@H]1CCO[C@H]1C)c1ccccc1F ZINC000655799832 411516779 /nfs/dbraw/zinc/51/67/79/411516779.db2.gz PGQBRGZEGRKVML-ZLKJLUDKSA-N 0 3 237.318 3.044 20 0 BGADHN CC[C@@H](NCc1[nH]ncc1C)c1ccccc1F ZINC000655805053 411519772 /nfs/dbraw/zinc/51/97/72/411519772.db2.gz AKXOPBXJCNWGON-CYBMUJFWSA-N 0 3 247.317 3.098 20 0 BGADHN CC[C@@H](NCc1cc[nH]c1)c1ccccc1F ZINC000655806679 411520193 /nfs/dbraw/zinc/52/01/93/411520193.db2.gz ZEPDLEGRRXTJFZ-CQSZACIVSA-N 0 3 232.302 3.395 20 0 BGADHN COc1c(C)cccc1CN[C@@H]1CCC1(C)C ZINC000655811374 411524978 /nfs/dbraw/zinc/52/49/78/411524978.db2.gz JAIHBRRDROPXBZ-CYBMUJFWSA-N 0 3 233.355 3.282 20 0 BGADHN COc1c(C)cccc1CN[C@H]1CCC1(C)C ZINC000655811375 411524526 /nfs/dbraw/zinc/52/45/26/411524526.db2.gz JAIHBRRDROPXBZ-ZDUSSCGKSA-N 0 3 233.355 3.282 20 0 BGADHN Cc1ccc(CN[C@@H](C2CC2)[C@H]2CCCCO2)o1 ZINC000655811520 411524459 /nfs/dbraw/zinc/52/44/59/411524459.db2.gz UHGZRGOYWSQXBU-CABCVRRESA-N 0 3 249.354 3.025 20 0 BGADHN Cc1ccc(CN[C@@H](C2CC2)[C@@H]2CCCCO2)o1 ZINC000655811523 411524494 /nfs/dbraw/zinc/52/44/94/411524494.db2.gz UHGZRGOYWSQXBU-GJZGRUSLSA-N 0 3 249.354 3.025 20 0 BGADHN Cc1ccc(CN[C@H](C2CC2)[C@H]2CCCCO2)o1 ZINC000655811525 411524511 /nfs/dbraw/zinc/52/45/11/411524511.db2.gz UHGZRGOYWSQXBU-HUUCEWRRSA-N 0 3 249.354 3.025 20 0 BGADHN Cc1ccc(CN[C@H](C2CC2)[C@@H]2CCCCO2)o1 ZINC000655811527 411524514 /nfs/dbraw/zinc/52/45/14/411524514.db2.gz UHGZRGOYWSQXBU-LSDHHAIUSA-N 0 3 249.354 3.025 20 0 BGADHN COc1c(C)cccc1CNC1CC(C)(C)C1 ZINC000655812023 490258837 /nfs/dbraw/zinc/25/88/37/490258837.db2.gz MYJRXBMKXRKWNE-UHFFFAOYSA-N 0 3 233.355 3.282 20 0 BGADHN Cc1occc1CN[C@@H](C1CC1)[C@H]1CCCCO1 ZINC000655812988 488009390 /nfs/dbraw/zinc/00/93/90/488009390.db2.gz WOWMUZJKEPYCSL-CABCVRRESA-N 0 3 249.354 3.025 20 0 BGADHN Cc1occc1CN[C@@H](C1CC1)[C@@H]1CCCCO1 ZINC000655812989 488009239 /nfs/dbraw/zinc/00/92/39/488009239.db2.gz WOWMUZJKEPYCSL-GJZGRUSLSA-N 0 3 249.354 3.025 20 0 BGADHN Cc1occc1CN[C@H](C1CC1)[C@H]1CCCCO1 ZINC000655812990 488009619 /nfs/dbraw/zinc/00/96/19/488009619.db2.gz WOWMUZJKEPYCSL-HUUCEWRRSA-N 0 3 249.354 3.025 20 0 BGADHN Cc1occc1CN[C@H](C1CC1)[C@@H]1CCCCO1 ZINC000655812991 488009977 /nfs/dbraw/zinc/00/99/77/488009977.db2.gz WOWMUZJKEPYCSL-LSDHHAIUSA-N 0 3 249.354 3.025 20 0 BGADHN Cc1ccoc1CN[C@H](C1CC1)[C@@H]1CCCCO1 ZINC000655813387 488009605 /nfs/dbraw/zinc/00/96/05/488009605.db2.gz WYEJIXJTJRTFRR-DZGCQCFKSA-N 0 3 249.354 3.025 20 0 BGADHN Cc1ccoc1CN[C@@H](C1CC1)[C@H]1CCCCO1 ZINC000655813388 488009315 /nfs/dbraw/zinc/00/93/15/488009315.db2.gz WYEJIXJTJRTFRR-HIFRSBDPSA-N 0 3 249.354 3.025 20 0 BGADHN Cc1ccoc1CN[C@H](C1CC1)[C@H]1CCCCO1 ZINC000655813389 488009404 /nfs/dbraw/zinc/00/94/04/488009404.db2.gz WYEJIXJTJRTFRR-UKRRQHHQSA-N 0 3 249.354 3.025 20 0 BGADHN Cc1ccoc1CN[C@@H](C1CC1)[C@@H]1CCCCO1 ZINC000655813390 488009460 /nfs/dbraw/zinc/00/94/60/488009460.db2.gz WYEJIXJTJRTFRR-ZFWWWQNUSA-N 0 3 249.354 3.025 20 0 BGADHN COc1c(C)cccc1CN[C@H]1CCC12CCC2 ZINC000655813415 488010023 /nfs/dbraw/zinc/01/00/23/488010023.db2.gz XLDCBYHUTLRFLW-AWEZNQCLSA-N 0 3 245.366 3.426 20 0 BGADHN COc1c(C)cccc1CN[C@@H]1CCC12CCC2 ZINC000655813416 488009269 /nfs/dbraw/zinc/00/92/69/488009269.db2.gz XLDCBYHUTLRFLW-CQSZACIVSA-N 0 3 245.366 3.426 20 0 BGADHN CC1(NCc2ccc(F)cc2F)CC=CC1 ZINC000655813598 488009373 /nfs/dbraw/zinc/00/93/73/488009373.db2.gz DOUJXBVXEUATDR-UHFFFAOYSA-N 0 3 223.266 3.163 20 0 BGADHN CC1(NCc2nc3c(s2)CCCC3)CC=CC1 ZINC000655813733 488009890 /nfs/dbraw/zinc/00/98/90/488009890.db2.gz AHUQHSRWYJYINB-UHFFFAOYSA-N 0 3 248.395 3.220 20 0 BGADHN CCc1ccc(CNC2(C)CC=CC2)o1 ZINC000655813768 411523847 /nfs/dbraw/zinc/52/38/47/411523847.db2.gz AZJASPJNKHYJPQ-UHFFFAOYSA-N 0 3 205.301 3.040 20 0 BGADHN CC1(NCc2cc(F)c(F)cc2F)CC=CC1 ZINC000655814031 411523567 /nfs/dbraw/zinc/52/35/67/411523567.db2.gz GWSGSUKIDMNRPU-UHFFFAOYSA-N 0 3 241.256 3.302 20 0 BGADHN CC(C)c1cnc(CNC2(C)CC=CC2)s1 ZINC000655814035 411523424 /nfs/dbraw/zinc/52/34/24/411523424.db2.gz GXAAELBWOXHPSN-UHFFFAOYSA-N 0 3 236.384 3.465 20 0 BGADHN CC1(NCc2cnc(C3CC3)s2)CC=CC1 ZINC000655814213 411523615 /nfs/dbraw/zinc/52/36/15/411523615.db2.gz JOITYQQLUWXTAQ-UHFFFAOYSA-N 0 3 234.368 3.219 20 0 BGADHN CC1(NCc2cc(F)c(F)c(F)c2)CC=CC1 ZINC000655814314 411524110 /nfs/dbraw/zinc/52/41/10/411524110.db2.gz LHHBYDJWVDHEJU-UHFFFAOYSA-N 0 3 241.256 3.302 20 0 BGADHN CC1(NCc2ccc(Cl)o2)CC=CC1 ZINC000655814532 411523592 /nfs/dbraw/zinc/52/35/92/411523592.db2.gz NDUWBWAXXPNVGD-UHFFFAOYSA-N 0 3 211.692 3.131 20 0 BGADHN CC1(NCc2ccccc2F)CC=CC1 ZINC000655814758 411523707 /nfs/dbraw/zinc/52/37/07/411523707.db2.gz QMDUCCCGDAKJKV-UHFFFAOYSA-N 0 3 205.276 3.024 20 0 BGADHN COc1ccc(C)cc1CNC1(C)CC=CC1 ZINC000655814829 411523754 /nfs/dbraw/zinc/52/37/54/411523754.db2.gz RZXUIKDTIDCRCG-UHFFFAOYSA-N 0 3 231.339 3.202 20 0 BGADHN CC1(NCc2cc(F)ccc2F)CC=CC1 ZINC000655814924 411523445 /nfs/dbraw/zinc/52/34/45/411523445.db2.gz UGHCHFJHESQNCI-UHFFFAOYSA-N 0 3 223.266 3.163 20 0 BGADHN CC1(NCc2cccc(F)c2F)CC=CC1 ZINC000655814928 411523489 /nfs/dbraw/zinc/52/34/89/411523489.db2.gz UKBSHSMTMBVFJH-UHFFFAOYSA-N 0 3 223.266 3.163 20 0 BGADHN Cc1ccc(F)c(CNC2(C)CC=CC2)c1 ZINC000655815217 411523940 /nfs/dbraw/zinc/52/39/40/411523940.db2.gz YURWAEOQUBERIF-UHFFFAOYSA-N 0 3 219.303 3.332 20 0 BGADHN COc1cccc(CNC2(C)CC=CC2)c1F ZINC000655815523 411524775 /nfs/dbraw/zinc/52/47/75/411524775.db2.gz BQROKLAAUVUNJA-UHFFFAOYSA-N 0 3 235.302 3.033 20 0 BGADHN COc1ccc(F)cc1CNC1(C)CC=CC1 ZINC000655815642 411524698 /nfs/dbraw/zinc/52/46/98/411524698.db2.gz DHZHTMBPADROOI-UHFFFAOYSA-N 0 3 235.302 3.033 20 0 BGADHN COc1cc(C)ccc1CNC1(C)CC=CC1 ZINC000655815751 411524633 /nfs/dbraw/zinc/52/46/33/411524633.db2.gz HNTLIMFHUBGEKK-UHFFFAOYSA-N 0 3 231.339 3.202 20 0 BGADHN CC1(NCc2scnc2C2CC2)CC=CC1 ZINC000655816176 411527243 /nfs/dbraw/zinc/52/72/43/411527243.db2.gz QNHMZWAECWESHE-UHFFFAOYSA-N 0 3 234.368 3.219 20 0 BGADHN COc1ccc(CNC2(C)CC=CC2)c(F)c1 ZINC000655816281 411527483 /nfs/dbraw/zinc/52/74/83/411527483.db2.gz TXJXBXWQUARINR-UHFFFAOYSA-N 0 3 235.302 3.033 20 0 BGADHN COc1ccc(F)c(CNC2(C)CC=CC2)c1 ZINC000655816428 411527281 /nfs/dbraw/zinc/52/72/81/411527281.db2.gz XFLHXBYQWKUHJL-UHFFFAOYSA-N 0 3 235.302 3.033 20 0 BGADHN Cc1cccc(CNC2(C)CC=CC2)c1F ZINC000655816432 411527605 /nfs/dbraw/zinc/52/76/05/411527605.db2.gz XHMSGVMSGNKYPP-UHFFFAOYSA-N 0 3 219.303 3.332 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H](C)Cc2ccccn2)o1 ZINC000655838770 411533739 /nfs/dbraw/zinc/53/37/39/411533739.db2.gz PHBJVJQUGUSZEZ-AAEUAGOBSA-N 0 3 244.338 3.265 20 0 BGADHN Cc1ccc([C@@H](C)N[C@H](C)Cc2ccccn2)o1 ZINC000655838771 411533674 /nfs/dbraw/zinc/53/36/74/411533674.db2.gz PHBJVJQUGUSZEZ-DGCLKSJQSA-N 0 3 244.338 3.265 20 0 BGADHN Cc1ccc([C@@H](C)N[C@@H](C)Cc2ccccn2)o1 ZINC000655838772 411533843 /nfs/dbraw/zinc/53/38/43/411533843.db2.gz PHBJVJQUGUSZEZ-WCQYABFASA-N 0 3 244.338 3.265 20 0 BGADHN Cc1ccc([C@H](C)N[C@H](C)Cc2ccccn2)o1 ZINC000655838773 411533603 /nfs/dbraw/zinc/53/36/03/411533603.db2.gz PHBJVJQUGUSZEZ-YPMHNXCESA-N 0 3 244.338 3.265 20 0 BGADHN C[C@H](N[C@H]1C[C@H](OC(C)(C)C)C1)c1ccoc1 ZINC000655839347 411533504 /nfs/dbraw/zinc/53/35/04/411533504.db2.gz QLTQEWKYECJKPC-DRZSPHRISA-N 0 3 237.343 3.276 20 0 BGADHN C[C@@H](N[C@H]1C[C@H](OC(C)(C)C)C1)c1ccoc1 ZINC000655839348 411533590 /nfs/dbraw/zinc/53/35/90/411533590.db2.gz QLTQEWKYECJKPC-RAIGVLPGSA-N 0 3 237.343 3.276 20 0 BGADHN C[C@@H](N[C@H]1C[C@H](OC(C)(C)C)C1)c1cccnc1 ZINC000655839368 411533684 /nfs/dbraw/zinc/53/36/84/411533684.db2.gz RADRYUOHAUPBRS-MRVWCRGKSA-N 0 3 248.370 3.078 20 0 BGADHN C[C@H](N[C@H]1C[C@H](OC(C)(C)C)C1)c1cccnc1 ZINC000655839369 411533574 /nfs/dbraw/zinc/53/35/74/411533574.db2.gz RADRYUOHAUPBRS-UBHSHLNASA-N 0 3 248.370 3.078 20 0 BGADHN C[C@@H](N[C@H]1C[C@H](OC(C)(C)C)C1)c1ccco1 ZINC000655839400 411533388 /nfs/dbraw/zinc/53/33/88/411533388.db2.gz SBUJLWQZKRLOSO-IJLUTSLNSA-N 0 3 237.343 3.276 20 0 BGADHN C[C@H](N[C@H]1C[C@H](OC(C)(C)C)C1)c1ccco1 ZINC000655839401 411533410 /nfs/dbraw/zinc/53/34/10/411533410.db2.gz SBUJLWQZKRLOSO-SRVKXCTJSA-N 0 3 237.343 3.276 20 0 BGADHN C[C@H](N[C@H]1C[C@H](OC(C)(C)C)C1)c1ccccn1 ZINC000655839827 411533920 /nfs/dbraw/zinc/53/39/20/411533920.db2.gz XALXUDOLICIOQY-AVGNSLFASA-N 0 3 248.370 3.078 20 0 BGADHN C[C@@H](N[C@H]1C[C@H](OC(C)(C)C)C1)c1ccccn1 ZINC000655839828 411533512 /nfs/dbraw/zinc/53/35/12/411533512.db2.gz XALXUDOLICIOQY-JHJVBQTASA-N 0 3 248.370 3.078 20 0 BGADHN C[C@@H](N[C@H]1C[C@H](OC(C)(C)C)C1)c1ccncc1 ZINC000655839952 411534237 /nfs/dbraw/zinc/53/42/37/411534237.db2.gz ZODFRIPTVKBFMX-MRVWCRGKSA-N 0 3 248.370 3.078 20 0 BGADHN C[C@H](N[C@H]1C[C@H](OC(C)(C)C)C1)c1ccncc1 ZINC000655839953 411534146 /nfs/dbraw/zinc/53/41/46/411534146.db2.gz ZODFRIPTVKBFMX-UBHSHLNASA-N 0 3 248.370 3.078 20 0 BGADHN COC[C@@H](CC(C)(C)C)NCc1ccc(C)o1 ZINC000655842807 488012534 /nfs/dbraw/zinc/01/25/34/488012534.db2.gz NOALRSZKXCSJIK-GFCCVEGCSA-N 0 3 239.359 3.129 20 0 BGADHN COC[C@H](CC(C)(C)C)NCc1ccc(C)o1 ZINC000655842808 488012280 /nfs/dbraw/zinc/01/22/80/488012280.db2.gz NOALRSZKXCSJIK-LBPRGKRZSA-N 0 3 239.359 3.129 20 0 BGADHN CC(C)(C)O[C@H]1C[C@H](NCc2ccsc2)C1 ZINC000655844278 541482507 /nfs/dbraw/zinc/48/25/07/541482507.db2.gz AENCGOWEHXRJSF-HAQNSBGRSA-N 0 3 239.384 3.184 20 0 BGADHN Cc1ccc(CN[C@H]2C[C@H](OC(C)(C)C)C2)o1 ZINC000655844289 541482520 /nfs/dbraw/zinc/48/25/20/541482520.db2.gz BLAYURDOGMZYNH-AULYBMBSSA-N 0 3 237.343 3.024 20 0 BGADHN Cc1ccoc1CN[C@H]1C[C@H](OC(C)(C)C)C1 ZINC000655845261 488013567 /nfs/dbraw/zinc/01/35/67/488013567.db2.gz ZDMMWCKBUSGHRU-HAQNSBGRSA-N 0 3 237.343 3.024 20 0 BGADHN Cc1occc1CN[C@H]1C[C@H](OC(C)(C)C)C1 ZINC000655845594 490260606 /nfs/dbraw/zinc/26/06/06/490260606.db2.gz LIOWASQITXULCM-JOCQHMNTSA-N 0 3 237.343 3.024 20 0 BGADHN Cc1cc(NC2CCN(C)CC2)ccc1Cl ZINC000655846355 411537323 /nfs/dbraw/zinc/53/73/23/411537323.db2.gz PRMLNQHIVANEDC-UHFFFAOYSA-N 0 3 238.762 3.155 20 0 BGADHN CC[C@H](N[C@H](C)c1ccccn1)[C@@H]1CCCCO1 ZINC000655847857 411535810 /nfs/dbraw/zinc/53/58/10/411535810.db2.gz DLRATLJIXOICPA-IPYPFGDCSA-N 0 3 248.370 3.080 20 0 BGADHN CC[C@H](N[C@@H](C)c1ccccn1)[C@H]1CCCCO1 ZINC000655847858 411536077 /nfs/dbraw/zinc/53/60/77/411536077.db2.gz DLRATLJIXOICPA-KCQAQPDRSA-N 0 3 248.370 3.080 20 0 BGADHN CC[C@H](N[C@H](C)c1ccccn1)[C@H]1CCCCO1 ZINC000655847859 411536190 /nfs/dbraw/zinc/53/61/90/411536190.db2.gz DLRATLJIXOICPA-VNHYZAJKSA-N 0 3 248.370 3.080 20 0 BGADHN CC[C@H](N[C@@H](C)c1ccccn1)[C@@H]1CCCCO1 ZINC000655847860 411535743 /nfs/dbraw/zinc/53/57/43/411535743.db2.gz DLRATLJIXOICPA-YDHLFZDLSA-N 0 3 248.370 3.080 20 0 BGADHN CC[C@H](N[C@H](C)c1ccco1)[C@@H]1CCCCO1 ZINC000655847869 411535711 /nfs/dbraw/zinc/53/57/11/411535711.db2.gz DWFLGJZPNAJVCP-DYEKYZERSA-N 0 3 237.343 3.278 20 0 BGADHN CC[C@H](N[C@H](C)c1ccco1)[C@H]1CCCCO1 ZINC000655847870 411535587 /nfs/dbraw/zinc/53/55/87/411535587.db2.gz DWFLGJZPNAJVCP-MBNYWOFBSA-N 0 3 237.343 3.278 20 0 BGADHN CC[C@H](N[C@@H](C)c1ccco1)[C@@H]1CCCCO1 ZINC000655847871 411535724 /nfs/dbraw/zinc/53/57/24/411535724.db2.gz DWFLGJZPNAJVCP-OBJOEFQTSA-N 0 3 237.343 3.278 20 0 BGADHN CC[C@H](N[C@@H](C)c1ccco1)[C@H]1CCCCO1 ZINC000655847872 411535729 /nfs/dbraw/zinc/53/57/29/411535729.db2.gz DWFLGJZPNAJVCP-SGMGOOAPSA-N 0 3 237.343 3.278 20 0 BGADHN CC[C@H](N[C@@H](C)c1cccnc1)[C@H]1CCCCO1 ZINC000655848700 411537291 /nfs/dbraw/zinc/53/72/91/411537291.db2.gz JWNFBDCRZFHUDJ-AEGPPILISA-N 0 3 248.370 3.080 20 0 BGADHN CC[C@H](N[C@@H](C)c1cccnc1)[C@@H]1CCCCO1 ZINC000655848701 411536776 /nfs/dbraw/zinc/53/67/76/411536776.db2.gz JWNFBDCRZFHUDJ-QEJZJMRPSA-N 0 3 248.370 3.080 20 0 BGADHN CC[C@H](N[C@H](C)c1cccnc1)[C@@H]1CCCCO1 ZINC000655848702 411537173 /nfs/dbraw/zinc/53/71/73/411537173.db2.gz JWNFBDCRZFHUDJ-SNPRPXQTSA-N 0 3 248.370 3.080 20 0 BGADHN CC[C@H](N[C@H](C)c1cccnc1)[C@H]1CCCCO1 ZINC000655848703 411536915 /nfs/dbraw/zinc/53/69/15/411536915.db2.gz JWNFBDCRZFHUDJ-VHDGCEQUSA-N 0 3 248.370 3.080 20 0 BGADHN CC[C@H](N[C@@H](C)c1ccoc1)[C@H]1CCCCO1 ZINC000655850315 411536847 /nfs/dbraw/zinc/53/68/47/411536847.db2.gz USMQUAPUEPAGBX-FPMFFAJLSA-N 0 3 237.343 3.278 20 0 BGADHN CC[C@H](N[C@H](C)c1ccoc1)[C@H]1CCCCO1 ZINC000655850316 411536666 /nfs/dbraw/zinc/53/66/66/411536666.db2.gz USMQUAPUEPAGBX-KWCYVHTRSA-N 0 3 237.343 3.278 20 0 BGADHN CC[C@H](N[C@@H](C)c1ccoc1)[C@@H]1CCCCO1 ZINC000655850317 411536855 /nfs/dbraw/zinc/53/68/55/411536855.db2.gz USMQUAPUEPAGBX-UBHSHLNASA-N 0 3 237.343 3.278 20 0 BGADHN CC[C@H](N[C@H](C)c1ccoc1)[C@@H]1CCCCO1 ZINC000655850318 411536435 /nfs/dbraw/zinc/53/64/35/411536435.db2.gz USMQUAPUEPAGBX-XBFCOCLRSA-N 0 3 237.343 3.278 20 0 BGADHN CC[C@@H](NCc1noc2ccccc21)C1CC1 ZINC000655854457 411537739 /nfs/dbraw/zinc/53/77/39/411537739.db2.gz BPDPWHOOOJFJCR-GFCCVEGCSA-N 0 3 230.311 3.106 20 0 BGADHN CC[C@H](NCc1noc2ccccc21)C1CC1 ZINC000655854461 411537893 /nfs/dbraw/zinc/53/78/93/411537893.db2.gz BPDPWHOOOJFJCR-LBPRGKRZSA-N 0 3 230.311 3.106 20 0 BGADHN CCC[C@H](C)NCc1noc2ccccc12 ZINC000655854686 411537704 /nfs/dbraw/zinc/53/77/04/411537704.db2.gz XPSMTGPXWGCUEF-JTQLQIEISA-N 0 3 218.300 3.106 20 0 BGADHN CC[C@H]1CC[C@H]1NCc1noc2ccccc21 ZINC000655854742 411537711 /nfs/dbraw/zinc/53/77/11/411537711.db2.gz UUVRAYVATFDJNG-CMPLNLGQSA-N 0 3 230.311 3.106 20 0 BGADHN CC[C@H]1CC[C@@H]1NCc1noc2ccccc21 ZINC000655854743 411538120 /nfs/dbraw/zinc/53/81/20/411538120.db2.gz UUVRAYVATFDJNG-JQWIXIFHSA-N 0 3 230.311 3.106 20 0 BGADHN CC[C@@H]1CC[C@@H]1NCc1noc2ccccc21 ZINC000655854744 411537754 /nfs/dbraw/zinc/53/77/54/411537754.db2.gz UUVRAYVATFDJNG-PWSUYJOCSA-N 0 3 230.311 3.106 20 0 BGADHN CC[C@@H]1CC[C@H]1NCc1noc2ccccc21 ZINC000655854745 411537694 /nfs/dbraw/zinc/53/76/94/411537694.db2.gz UUVRAYVATFDJNG-ZYHUDNBSSA-N 0 3 230.311 3.106 20 0 BGADHN CCC[C@@H](C)NCc1noc2ccccc12 ZINC000655854800 411537697 /nfs/dbraw/zinc/53/76/97/411537697.db2.gz XPSMTGPXWGCUEF-SNVBAGLBSA-N 0 3 218.300 3.106 20 0 BGADHN CC[C@H](NCc1ccoc1C)[C@@H]1CCCCO1 ZINC000655855079 411537789 /nfs/dbraw/zinc/53/77/89/411537789.db2.gz BESHLBNOOBQXQP-KBPBESRZSA-N 0 3 237.343 3.025 20 0 BGADHN CC[C@@H](NCc1ccoc1C)[C@@H]1CCCCO1 ZINC000655855080 411538392 /nfs/dbraw/zinc/53/83/92/411538392.db2.gz BESHLBNOOBQXQP-KGLIPLIRSA-N 0 3 237.343 3.025 20 0 BGADHN CC[C@H](NCc1ccoc1C)[C@H]1CCCCO1 ZINC000655855081 411537775 /nfs/dbraw/zinc/53/77/75/411537775.db2.gz BESHLBNOOBQXQP-UONOGXRCSA-N 0 3 237.343 3.025 20 0 BGADHN CC[C@@H](NCc1ccoc1C)[C@H]1CCCCO1 ZINC000655855082 411537947 /nfs/dbraw/zinc/53/79/47/411537947.db2.gz BESHLBNOOBQXQP-ZIAGYGMSSA-N 0 3 237.343 3.025 20 0 BGADHN CC[C@@H](NCc1ccsc1)[C@H]1CCCCO1 ZINC000655856110 411539519 /nfs/dbraw/zinc/53/95/19/411539519.db2.gz KDSIRXGXOJIDFR-CHWSQXEVSA-N 0 3 239.384 3.185 20 0 BGADHN CC[C@@H](NCc1ccsc1)[C@@H]1CCCCO1 ZINC000655856111 411538856 /nfs/dbraw/zinc/53/88/56/411538856.db2.gz KDSIRXGXOJIDFR-OLZOCXBDSA-N 0 3 239.384 3.185 20 0 BGADHN CC[C@H](NCc1ccsc1)[C@H]1CCCCO1 ZINC000655856112 411538739 /nfs/dbraw/zinc/53/87/39/411538739.db2.gz KDSIRXGXOJIDFR-QWHCGFSZSA-N 0 3 239.384 3.185 20 0 BGADHN CC[C@H](NCc1ccsc1)[C@@H]1CCCCO1 ZINC000655856113 411539165 /nfs/dbraw/zinc/53/91/65/411539165.db2.gz KDSIRXGXOJIDFR-STQMWFEESA-N 0 3 239.384 3.185 20 0 BGADHN CC[C@H](NCc1ccc(C)o1)[C@@H]1CCCCO1 ZINC000655858159 411539887 /nfs/dbraw/zinc/53/98/87/411539887.db2.gz YJEKXLQPFLJGRS-KBPBESRZSA-N 0 3 237.343 3.025 20 0 BGADHN CC[C@@H](NCc1ccc(C)o1)[C@@H]1CCCCO1 ZINC000655858160 411539892 /nfs/dbraw/zinc/53/98/92/411539892.db2.gz YJEKXLQPFLJGRS-KGLIPLIRSA-N 0 3 237.343 3.025 20 0 BGADHN CC[C@H](NCc1ccc(C)o1)[C@H]1CCCCO1 ZINC000655858161 411539868 /nfs/dbraw/zinc/53/98/68/411539868.db2.gz YJEKXLQPFLJGRS-UONOGXRCSA-N 0 3 237.343 3.025 20 0 BGADHN CC[C@@H](NCc1ccc(C)o1)[C@H]1CCCCO1 ZINC000655858162 411539939 /nfs/dbraw/zinc/53/99/39/411539939.db2.gz YJEKXLQPFLJGRS-ZIAGYGMSSA-N 0 3 237.343 3.025 20 0 BGADHN CC[C@@H](NCc1occc1C)[C@H]1CCCCO1 ZINC000655858414 411540244 /nfs/dbraw/zinc/54/02/44/411540244.db2.gz ZDWCPJXJMXAFKB-CHWSQXEVSA-N 0 3 237.343 3.025 20 0 BGADHN CC[C@@H](NCc1occc1C)[C@@H]1CCCCO1 ZINC000655858416 411540297 /nfs/dbraw/zinc/54/02/97/411540297.db2.gz ZDWCPJXJMXAFKB-OLZOCXBDSA-N 0 3 237.343 3.025 20 0 BGADHN CC[C@H](NCc1occc1C)[C@H]1CCCCO1 ZINC000655858417 411540071 /nfs/dbraw/zinc/54/00/71/411540071.db2.gz ZDWCPJXJMXAFKB-QWHCGFSZSA-N 0 3 237.343 3.025 20 0 BGADHN CC[C@H](NCc1occc1C)[C@@H]1CCCCO1 ZINC000655858418 411540181 /nfs/dbraw/zinc/54/01/81/411540181.db2.gz ZDWCPJXJMXAFKB-STQMWFEESA-N 0 3 237.343 3.025 20 0 BGADHN Cc1occc1CNC[C@@H]1CCC2(CCCC2)O1 ZINC000655863614 411151952 /nfs/dbraw/zinc/15/19/52/411151952.db2.gz RQCUOZGUVXFXQL-AWEZNQCLSA-N 0 3 249.354 3.169 20 0 BGADHN Cc1occc1CNC[C@H]1CCC2(CCCC2)O1 ZINC000655863615 411151586 /nfs/dbraw/zinc/15/15/86/411151586.db2.gz RQCUOZGUVXFXQL-CQSZACIVSA-N 0 3 249.354 3.169 20 0 BGADHN Cc1cc2c(c(C)c1)[C@@H](N[C@@H](C)CF)CC2 ZINC000656260027 411219386 /nfs/dbraw/zinc/21/93/86/411219386.db2.gz HZOKIGWPBNYLNZ-AAEUAGOBSA-N 0 3 221.319 3.238 20 0 BGADHN Cc1cc2c(c(C)c1)[C@H](N[C@H](C)CF)CC2 ZINC000656260028 411219261 /nfs/dbraw/zinc/21/92/61/411219261.db2.gz HZOKIGWPBNYLNZ-DGCLKSJQSA-N 0 3 221.319 3.238 20 0 BGADHN Cc1cc2c(c(C)c1)[C@H](N[C@@H](C)CF)CC2 ZINC000656260029 411219029 /nfs/dbraw/zinc/21/90/29/411219029.db2.gz HZOKIGWPBNYLNZ-WCQYABFASA-N 0 3 221.319 3.238 20 0 BGADHN Cc1cc2c(c(C)c1)[C@@H](N[C@H](C)CF)CC2 ZINC000656260030 411219402 /nfs/dbraw/zinc/21/94/02/411219402.db2.gz HZOKIGWPBNYLNZ-YPMHNXCESA-N 0 3 221.319 3.238 20 0 BGADHN C[C@@H]1CCCC[C@@H]1CN1CC2(CC2(F)F)C1 ZINC000656265272 411220446 /nfs/dbraw/zinc/22/04/46/411220446.db2.gz GIKWHUOMXSSZFX-GHMZBOCLSA-N 0 3 229.314 3.154 20 0 BGADHN C[C@@H]1CCCC[C@H]1CN1CC2(CC2(F)F)C1 ZINC000656265273 411220669 /nfs/dbraw/zinc/22/06/69/411220669.db2.gz GIKWHUOMXSSZFX-MNOVXSKESA-N 0 3 229.314 3.154 20 0 BGADHN C[C@H]1CCCC[C@H]1CN1CC2(CC2(F)F)C1 ZINC000656265274 411220260 /nfs/dbraw/zinc/22/02/60/411220260.db2.gz GIKWHUOMXSSZFX-QWRGUYRKSA-N 0 3 229.314 3.154 20 0 BGADHN C[C@H]1CCCC[C@@H]1CN1CC2(CC2(F)F)C1 ZINC000656265275 411220559 /nfs/dbraw/zinc/22/05/59/411220559.db2.gz GIKWHUOMXSSZFX-WDEREUQCSA-N 0 3 229.314 3.154 20 0 BGADHN C[C@H](CN1CC2(CC2(F)F)C1)c1ccccc1 ZINC000656265276 411220697 /nfs/dbraw/zinc/22/06/97/411220697.db2.gz GITJKGBBZJKMCP-LLVKDONJSA-N 0 3 237.293 3.131 20 0 BGADHN C[C@@H](CN1CC2(CC2(F)F)C1)c1ccccc1 ZINC000656265277 411220661 /nfs/dbraw/zinc/22/06/61/411220661.db2.gz GITJKGBBZJKMCP-NSHDSACASA-N 0 3 237.293 3.131 20 0 BGADHN CC1=C[C@H](C)C[C@@H](CN2CC3(CC3(F)F)C2)C1 ZINC000656265281 411220596 /nfs/dbraw/zinc/22/05/96/411220596.db2.gz GUMRZXUWEFUJLN-CMPLNLGQSA-N 0 3 241.325 3.320 20 0 BGADHN CC1=C[C@H](C)C[C@H](CN2CC3(CC3(F)F)C2)C1 ZINC000656265282 411220342 /nfs/dbraw/zinc/22/03/42/411220342.db2.gz GUMRZXUWEFUJLN-JQWIXIFHSA-N 0 3 241.325 3.320 20 0 BGADHN CC1=C[C@@H](C)C[C@H](CN2CC3(CC3(F)F)C2)C1 ZINC000656265283 411219898 /nfs/dbraw/zinc/21/98/98/411219898.db2.gz GUMRZXUWEFUJLN-PWSUYJOCSA-N 0 3 241.325 3.320 20 0 BGADHN CC1=C[C@@H](C)C[C@@H](CN2CC3(CC3(F)F)C2)C1 ZINC000656265284 411220623 /nfs/dbraw/zinc/22/06/23/411220623.db2.gz GUMRZXUWEFUJLN-ZYHUDNBSSA-N 0 3 241.325 3.320 20 0 BGADHN FC1(F)CC12CN(CCC1CCCCC1)C2 ZINC000656265305 411220066 /nfs/dbraw/zinc/22/00/66/411220066.db2.gz HXMDIJIOACKMTP-UHFFFAOYSA-N 0 3 229.314 3.298 20 0 BGADHN C[C@H](CN1CC2(CC2(F)F)C1)C(C)(C)C ZINC000656265500 411220001 /nfs/dbraw/zinc/22/00/01/411220001.db2.gz QGFXBKUOZOLRFY-SECBINFHSA-N 0 3 217.303 3.010 20 0 BGADHN C[C@@H](CN1CC2(CC2(F)F)C1)C(C)(C)C ZINC000656265504 411220627 /nfs/dbraw/zinc/22/06/27/411220627.db2.gz QGFXBKUOZOLRFY-VIFPVBQESA-N 0 3 217.303 3.010 20 0 BGADHN Cc1cccc(C)c1CN1CC2(CC2(F)F)C1 ZINC000656265539 411221737 /nfs/dbraw/zinc/22/17/37/411221737.db2.gz BKHWBQHDLPRKGX-UHFFFAOYSA-N 0 3 237.293 3.144 20 0 BGADHN FC1(F)CC12CN(C[C@@H]1C[C@H]1c1ccccc1)C2 ZINC000656265562 411221778 /nfs/dbraw/zinc/22/17/78/411221778.db2.gz SHSLBPRXXJOSEU-STQMWFEESA-N 0 3 249.304 3.131 20 0 BGADHN CC(C)C[C@H](C)CN1CC2(CC2(F)F)C1 ZINC000656265567 411221644 /nfs/dbraw/zinc/22/16/44/411221644.db2.gz SNEIHJSWLRCFAL-JTQLQIEISA-N 0 3 217.303 3.010 20 0 BGADHN CC(C)C[C@@H](C)CN1CC2(CC2(F)F)C1 ZINC000656265568 411221328 /nfs/dbraw/zinc/22/13/28/411221328.db2.gz SNEIHJSWLRCFAL-SNVBAGLBSA-N 0 3 217.303 3.010 20 0 BGADHN C[C@@H]1CCC[C@@H](CN2CC3(CC3(F)F)C2)C1 ZINC000656265772 411221884 /nfs/dbraw/zinc/22/18/84/411221884.db2.gz ZQHQVEOOJCXDFE-GHMZBOCLSA-N 0 3 229.314 3.154 20 0 BGADHN C[C@@H]1CCC[C@H](CN2CC3(CC3(F)F)C2)C1 ZINC000656265773 411221939 /nfs/dbraw/zinc/22/19/39/411221939.db2.gz ZQHQVEOOJCXDFE-MNOVXSKESA-N 0 3 229.314 3.154 20 0 BGADHN C[C@H]1CCC[C@H](CN2CC3(CC3(F)F)C2)C1 ZINC000656265774 411221141 /nfs/dbraw/zinc/22/11/41/411221141.db2.gz ZQHQVEOOJCXDFE-QWRGUYRKSA-N 0 3 229.314 3.154 20 0 BGADHN C[C@H]1CCC[C@@H](CN2CC3(CC3(F)F)C2)C1 ZINC000656265776 411221956 /nfs/dbraw/zinc/22/19/56/411221956.db2.gz ZQHQVEOOJCXDFE-WDEREUQCSA-N 0 3 229.314 3.154 20 0 BGADHN FC1(F)CC12CN(Cc1cccc3[nH]ccc31)C2 ZINC000656265807 411221536 /nfs/dbraw/zinc/22/15/36/411221536.db2.gz JJELSAAYTSQSFK-UHFFFAOYSA-N 0 3 248.276 3.009 20 0 BGADHN FC1(F)CC12CN(CC1CCCCCC1)C2 ZINC000656265944 411221194 /nfs/dbraw/zinc/22/11/94/411221194.db2.gz PCIIJHNLAOKFCX-UHFFFAOYSA-N 0 3 229.314 3.298 20 0 BGADHN FC1(F)CC12CN(C[C@H]1C[C@@H]1c1ccccc1)C2 ZINC000656266174 411221690 /nfs/dbraw/zinc/22/16/90/411221690.db2.gz SHSLBPRXXJOSEU-CHWSQXEVSA-N 0 3 249.304 3.131 20 0 BGADHN FC1(F)CC12CN(C[C@H]1C[C@H]1c1ccccc1)C2 ZINC000656266175 411221442 /nfs/dbraw/zinc/22/14/42/411221442.db2.gz SHSLBPRXXJOSEU-OLZOCXBDSA-N 0 3 249.304 3.131 20 0 BGADHN FC1(F)CC12CN(C[C@@H]1C[C@@H]1c1ccccc1)C2 ZINC000656266176 411221005 /nfs/dbraw/zinc/22/10/05/411221005.db2.gz SHSLBPRXXJOSEU-QWHCGFSZSA-N 0 3 249.304 3.131 20 0 BGADHN CCCN(Cc1cnc2cccc(C)n12)C(C)C ZINC000656268375 411222604 /nfs/dbraw/zinc/22/26/04/411222604.db2.gz AJOYBPIIIRARBH-UHFFFAOYSA-N 0 3 245.370 3.263 20 0 BGADHN CCCN(Cc1nn(C)c2ccccc12)C(C)C ZINC000656268854 488073480 /nfs/dbraw/zinc/07/34/80/488073480.db2.gz HSTMTBPCEDJSFN-UHFFFAOYSA-N 0 3 245.370 3.194 20 0 BGADHN CCCN(Cc1cccc(OC)c1F)C(C)C ZINC000656269141 488073676 /nfs/dbraw/zinc/07/36/76/488073676.db2.gz LABWAHPZEPATRQ-UHFFFAOYSA-N 0 3 239.334 3.455 20 0 BGADHN CCCN(Cc1ccnn1CC(C)C)C(C)C ZINC000656269296 488073692 /nfs/dbraw/zinc/07/36/92/488073692.db2.gz NYAWBHHGFDXYJA-UHFFFAOYSA-N 0 3 237.391 3.160 20 0 BGADHN CCCN(Cc1nc2c(s1)CCC2)C(C)C ZINC000656269400 488073558 /nfs/dbraw/zinc/07/35/58/488073558.db2.gz PSLKJYNZEDMKLW-UHFFFAOYSA-N 0 3 238.400 3.252 20 0 BGADHN CCCN(Cc1cn2cccc(F)c2n1)C(C)C ZINC000656269578 411220036 /nfs/dbraw/zinc/22/00/36/411220036.db2.gz SLOQQZYNKLXXOH-UHFFFAOYSA-N 0 3 249.333 3.094 20 0 BGADHN COc1c(C)cccc1CNC1CC2(CCC2)C1 ZINC000656270065 411220574 /nfs/dbraw/zinc/22/05/74/411220574.db2.gz XGHYVKCURRSTPN-UHFFFAOYSA-N 0 3 245.366 3.426 20 0 BGADHN CCCN(Cc1cn(C(C)C)nc1C)C(C)C ZINC000656270216 411220162 /nfs/dbraw/zinc/22/01/62/411220162.db2.gz YKTZOCWJTURIIG-UHFFFAOYSA-N 0 3 237.391 3.393 20 0 BGADHN Cc1ccc(CN2CCC[C@H](OC3CCC3)C2)o1 ZINC000656271259 411226434 /nfs/dbraw/zinc/22/64/34/411226434.db2.gz FTFUVSPNJNPZQY-AWEZNQCLSA-N 0 3 249.354 3.122 20 0 BGADHN Cc1ccc(CN2CCC[C@@H](OC3CCC3)C2)o1 ZINC000656271269 411225961 /nfs/dbraw/zinc/22/59/61/411225961.db2.gz FTFUVSPNJNPZQY-CQSZACIVSA-N 0 3 249.354 3.122 20 0 BGADHN Cc1occc1CN1CCC[C@H](OC2CCC2)C1 ZINC000656271762 411226552 /nfs/dbraw/zinc/22/65/52/411226552.db2.gz RORFVEAMAXZWIF-HNNXBMFYSA-N 0 3 249.354 3.122 20 0 BGADHN Cc1occc1CN1CCC[C@@H](OC2CCC2)C1 ZINC000656271763 411226360 /nfs/dbraw/zinc/22/63/60/411226360.db2.gz RORFVEAMAXZWIF-OAHLLOKOSA-N 0 3 249.354 3.122 20 0 BGADHN Cc1ccoc1CN1CCC[C@H](OC2CCC2)C1 ZINC000656272578 411222294 /nfs/dbraw/zinc/22/22/94/411222294.db2.gz YDMDTHRZZAPYPE-AWEZNQCLSA-N 0 3 249.354 3.122 20 0 BGADHN Cc1ccoc1CN1CCC[C@@H](OC2CCC2)C1 ZINC000656272580 411222548 /nfs/dbraw/zinc/22/25/48/411222548.db2.gz YDMDTHRZZAPYPE-CQSZACIVSA-N 0 3 249.354 3.122 20 0 BGADHN COc1ccc2c(c1)CN(C[C@@H]1CC=CCC1)C2 ZINC000656274649 411223297 /nfs/dbraw/zinc/22/32/97/411223297.db2.gz DBSMSCWUAYWGDA-CYBMUJFWSA-N 0 3 243.350 3.367 20 0 BGADHN COc1ccc2c(c1)CN(C[C@H]1CC=CCC1)C2 ZINC000656274650 411223711 /nfs/dbraw/zinc/22/37/11/411223711.db2.gz DBSMSCWUAYWGDA-ZDUSSCGKSA-N 0 3 243.350 3.367 20 0 BGADHN CCC[C@@H](C)CN1Cc2ccc(OC)cc2C1 ZINC000656274991 411224920 /nfs/dbraw/zinc/22/49/20/411224920.db2.gz INWGNYCWTJHDNT-GFCCVEGCSA-N 0 3 233.355 3.447 20 0 BGADHN CCC[C@H](C)CN1Cc2ccc(OC)cc2C1 ZINC000656274992 411225343 /nfs/dbraw/zinc/22/53/43/411225343.db2.gz INWGNYCWTJHDNT-LBPRGKRZSA-N 0 3 233.355 3.447 20 0 BGADHN CCC(CC)CN1Cc2ccc(OC)cc2C1 ZINC000656275676 411224973 /nfs/dbraw/zinc/22/49/73/411224973.db2.gz TVMLOECPRGYYLV-UHFFFAOYSA-N 0 3 233.355 3.447 20 0 BGADHN c1nc(CN2CCC[C@H]2CC2CCCC2)co1 ZINC000656277720 411227799 /nfs/dbraw/zinc/22/77/99/411227799.db2.gz BSNVWKCURZNNLB-AWEZNQCLSA-N 0 3 234.343 3.219 20 0 BGADHN c1nc(CN2CCC[C@@H]2CC2CCCC2)co1 ZINC000656277721 411227845 /nfs/dbraw/zinc/22/78/45/411227845.db2.gz BSNVWKCURZNNLB-CQSZACIVSA-N 0 3 234.343 3.219 20 0 BGADHN Cc1c[nH]nc1CN1CCC[C@H]1CC1CCCC1 ZINC000656278229 411228598 /nfs/dbraw/zinc/22/85/98/411228598.db2.gz GOJRXFPETKWONT-AWEZNQCLSA-N 0 3 247.386 3.263 20 0 BGADHN Cc1c[nH]nc1CN1CCC[C@@H]1CC1CCCC1 ZINC000656278230 411228871 /nfs/dbraw/zinc/22/88/71/411228871.db2.gz GOJRXFPETKWONT-CQSZACIVSA-N 0 3 247.386 3.263 20 0 BGADHN COc1ccccc1C1(NCCC2CCC2)CC1 ZINC000656399753 411244669 /nfs/dbraw/zinc/24/46/69/411244669.db2.gz PONIMVWOVAHISX-UHFFFAOYSA-N 0 3 245.366 3.464 20 0 BGADHN CC(C)OC1CC(N(C)Cc2ccsc2)C1 ZINC000656405524 411244539 /nfs/dbraw/zinc/24/45/39/411244539.db2.gz STRGSAINIUCRAS-UHFFFAOYSA-N 0 3 239.384 3.136 20 0 BGADHN CC(C)CCN(C)Cc1ccc2c(n1)CCC2 ZINC000656411168 411245891 /nfs/dbraw/zinc/24/58/91/411245891.db2.gz XCHQPZTUOYFRDG-UHFFFAOYSA-N 0 3 232.371 3.048 20 0 BGADHN CCCCN(C[C@H](C)O)[C@@H](C)c1ccc(C)o1 ZINC000656424523 411245520 /nfs/dbraw/zinc/24/55/20/411245520.db2.gz ADXIYPIIAYNOJH-AAEUAGOBSA-N 0 3 239.359 3.132 20 0 BGADHN CCCCN(C[C@@H](C)O)[C@H](C)c1ccc(C)o1 ZINC000656424530 411245110 /nfs/dbraw/zinc/24/51/10/411245110.db2.gz ADXIYPIIAYNOJH-DGCLKSJQSA-N 0 3 239.359 3.132 20 0 BGADHN CCCCN(C[C@H](C)O)[C@H](C)c1ccc(C)o1 ZINC000656424533 411245749 /nfs/dbraw/zinc/24/57/49/411245749.db2.gz ADXIYPIIAYNOJH-WCQYABFASA-N 0 3 239.359 3.132 20 0 BGADHN CCCCN(C[C@@H](C)O)[C@@H](C)c1ccc(C)o1 ZINC000656424534 411245711 /nfs/dbraw/zinc/24/57/11/411245711.db2.gz ADXIYPIIAYNOJH-YPMHNXCESA-N 0 3 239.359 3.132 20 0 BGADHN CCN(Cc1ccoc1)C1CC(OC(C)C)C1 ZINC000656430557 411245326 /nfs/dbraw/zinc/24/53/26/411245326.db2.gz HZJRDEUSNZWWLX-UHFFFAOYSA-N 0 3 237.343 3.058 20 0 BGADHN C[C@@H]1COCCCN1Cc1ccc(C2CC2)cc1 ZINC000656441927 411260469 /nfs/dbraw/zinc/26/04/69/411260469.db2.gz KSJIDEJEHFVDGM-CYBMUJFWSA-N 0 3 245.366 3.175 20 0 BGADHN C[C@H]1COCCCN1Cc1ccc(C2CC2)cc1 ZINC000656441928 411260671 /nfs/dbraw/zinc/26/06/71/411260671.db2.gz KSJIDEJEHFVDGM-ZDUSSCGKSA-N 0 3 245.366 3.175 20 0 BGADHN CC(C)N(Cc1cnc(C2CC2)nc1)C1CCC1 ZINC000656443622 411252614 /nfs/dbraw/zinc/25/26/14/411252614.db2.gz ZGMHOHASFRKTDO-UHFFFAOYSA-N 0 3 245.370 3.117 20 0 BGADHN Clc1ccc(CNC2CC3(CCC3)C2)o1 ZINC000656466436 411278278 /nfs/dbraw/zinc/27/82/78/411278278.db2.gz ISJBLKFLEHKPFD-UHFFFAOYSA-N 0 3 225.719 3.355 20 0 BGADHN C[C@H](NC1CC2(CCC2)C1)c1ccco1 ZINC000656469336 411281329 /nfs/dbraw/zinc/28/13/29/411281329.db2.gz ZUWPWLRRMWDXAF-JTQLQIEISA-N 0 3 205.301 3.263 20 0 BGADHN C[C@@H](NC1CC2(CCC2)C1)c1ccco1 ZINC000656469337 411281323 /nfs/dbraw/zinc/28/13/23/411281323.db2.gz ZUWPWLRRMWDXAF-SNVBAGLBSA-N 0 3 205.301 3.263 20 0 BGADHN COc1ccc(C)cc1CNC1CC2(CCC2)C1 ZINC000656471525 411275845 /nfs/dbraw/zinc/27/58/45/411275845.db2.gz HDCMZQTWTAEMAE-UHFFFAOYSA-N 0 3 245.366 3.426 20 0 BGADHN CC(C)CCCNCc1ccc2c(n1)CCC2 ZINC000656471980 411277150 /nfs/dbraw/zinc/27/71/50/411277150.db2.gz BVBRWYSNRXWRJT-UHFFFAOYSA-N 0 3 232.371 3.096 20 0 BGADHN C[C@H]1CCN(CC2CCC(F)(F)CC2)C[C@H]1F ZINC000656494609 411284056 /nfs/dbraw/zinc/28/40/56/411284056.db2.gz YCENWTIMVGJQBE-CMPLNLGQSA-N 0 3 249.320 3.492 20 0 BGADHN C[C@H]1CCN(CC2CCC(F)(F)CC2)C[C@@H]1F ZINC000656494610 411284586 /nfs/dbraw/zinc/28/45/86/411284586.db2.gz YCENWTIMVGJQBE-JQWIXIFHSA-N 0 3 249.320 3.492 20 0 BGADHN C[C@@H]1CCN(CC2CCC(F)(F)CC2)C[C@@H]1F ZINC000656494611 411284134 /nfs/dbraw/zinc/28/41/34/411284134.db2.gz YCENWTIMVGJQBE-PWSUYJOCSA-N 0 3 249.320 3.492 20 0 BGADHN C[C@@H]1CCN(CC2CCC(F)(F)CC2)C[C@H]1F ZINC000656494612 411283557 /nfs/dbraw/zinc/28/35/57/411283557.db2.gz YCENWTIMVGJQBE-ZYHUDNBSSA-N 0 3 249.320 3.492 20 0 BGADHN C[C@@H](NC1CC2(CCC2)C1)c1nccs1 ZINC000656496641 411287695 /nfs/dbraw/zinc/28/76/95/411287695.db2.gz OODKFCUQTQVDKO-SECBINFHSA-N 0 3 222.357 3.126 20 0 BGADHN CC(C)(C)CCCNCc1ccc2c(n1)CCC2 ZINC000656501535 411286803 /nfs/dbraw/zinc/28/68/03/411286803.db2.gz HINZKJSKNUCOSQ-UHFFFAOYSA-N 0 3 246.398 3.486 20 0 BGADHN C[C@H](NC1CC2(CCC2)C1)c1ccoc1 ZINC000656505292 411287733 /nfs/dbraw/zinc/28/77/33/411287733.db2.gz YQHVSNPRZJQWCM-JTQLQIEISA-N 0 3 205.301 3.263 20 0 BGADHN C[C@@H](NC1CC2(CCC2)C1)c1ccoc1 ZINC000656505293 411287641 /nfs/dbraw/zinc/28/76/41/411287641.db2.gz YQHVSNPRZJQWCM-SNVBAGLBSA-N 0 3 205.301 3.263 20 0 BGADHN CC(C)C[C@@H](C)NCc1ccc2c(n1)CCC2 ZINC000656508061 411288061 /nfs/dbraw/zinc/28/80/61/411288061.db2.gz XHISTZDMGYLONM-GFCCVEGCSA-N 0 3 232.371 3.095 20 0 BGADHN CC(C)C[C@H](C)NCc1ccc2c(n1)CCC2 ZINC000656508062 411288069 /nfs/dbraw/zinc/28/80/69/411288069.db2.gz XHISTZDMGYLONM-LBPRGKRZSA-N 0 3 232.371 3.095 20 0 BGADHN CC(C)(CNCc1cnccn1)C1CCCCC1 ZINC000656511777 411289288 /nfs/dbraw/zinc/28/92/88/411289288.db2.gz YTWGJKBDWIEXRN-UHFFFAOYSA-N 0 3 247.386 3.173 20 0 BGADHN c1cc(C2CC2)ccc1CN1CC=CCC1 ZINC000656532269 411289896 /nfs/dbraw/zinc/28/98/96/411289896.db2.gz OAWSZWRQLVQYCZ-UHFFFAOYSA-N 0 3 213.324 3.326 20 0 BGADHN C[C@H](CCNCc1cnccn1)CC(C)(C)C ZINC000656566916 411304280 /nfs/dbraw/zinc/30/42/80/411304280.db2.gz LHCRAPZYGZOIAV-GFCCVEGCSA-N 0 3 235.375 3.029 20 0 BGADHN C[C@@H](CCNCc1cnccn1)CC(C)(C)C ZINC000656566917 411304253 /nfs/dbraw/zinc/30/42/53/411304253.db2.gz LHCRAPZYGZOIAV-LBPRGKRZSA-N 0 3 235.375 3.029 20 0 BGADHN NCc1ccccc1OCCCC1CCC1 ZINC000656600681 411306390 /nfs/dbraw/zinc/30/63/90/411306390.db2.gz HPWHMDYBPBNWGK-UHFFFAOYSA-N 0 3 219.328 3.104 20 0 BGADHN CC[C@H](COc1ccccc1CN)CC(F)F ZINC000656600721 411307016 /nfs/dbraw/zinc/30/70/16/411307016.db2.gz KNCKVCXRJSCBDU-JTQLQIEISA-N 0 3 243.297 3.206 20 0 BGADHN CC[C@@H](COc1ccccc1CN)CC(F)F ZINC000656600722 411306576 /nfs/dbraw/zinc/30/65/76/411306576.db2.gz KNCKVCXRJSCBDU-SNVBAGLBSA-N 0 3 243.297 3.206 20 0 BGADHN CCC(C)(C)CCn1cc2c(n1)[C@H](N)CCC2 ZINC000656601276 411306412 /nfs/dbraw/zinc/30/64/12/411306412.db2.gz SPNBAXHLQHQDKA-GFCCVEGCSA-N 0 3 235.375 3.046 20 0 BGADHN CCC(C)(C)CCn1cc2c(n1)[C@@H](N)CCC2 ZINC000656601277 411306751 /nfs/dbraw/zinc/30/67/51/411306751.db2.gz SPNBAXHLQHQDKA-LBPRGKRZSA-N 0 3 235.375 3.046 20 0 BGADHN CCC(C)(C)CCOc1ccccc1CN ZINC000656601540 411306493 /nfs/dbraw/zinc/30/64/93/411306493.db2.gz XXWOLAPSLQASHV-UHFFFAOYSA-N 0 3 221.344 3.350 20 0 BGADHN Cc1ccc(CCCN2CC3(C2)CCCC3)cn1 ZINC000656623026 411311646 /nfs/dbraw/zinc/31/16/46/411311646.db2.gz OOTHTAQNHBTDPG-UHFFFAOYSA-N 0 3 244.382 3.199 20 0 BGADHN Clc1cccc(CCN2CC(C3CC3)C2)c1 ZINC000656630257 411311884 /nfs/dbraw/zinc/31/18/84/411311884.db2.gz DCPOGRXOYQRUMI-UHFFFAOYSA-N 0 3 235.758 3.224 20 0 BGADHN c1cc(C2CC2)ccc1CN1CC(C2CC2)C1 ZINC000656630259 411311919 /nfs/dbraw/zinc/31/19/19/411311919.db2.gz FCGLWAMOEGWDMI-UHFFFAOYSA-N 0 3 227.351 3.406 20 0 BGADHN CCC1CN(CCc2cccc(Cl)c2)C1 ZINC000656640947 411314879 /nfs/dbraw/zinc/31/48/79/411314879.db2.gz BFVKSQOOTBAILO-UHFFFAOYSA-N 0 3 223.747 3.224 20 0 BGADHN c1cc(CN2CC(Cc3ccccc3)C2)cs1 ZINC000656651683 411316677 /nfs/dbraw/zinc/31/66/77/411316677.db2.gz BWLPIYGVPKCPJV-UHFFFAOYSA-N 0 3 243.375 3.423 20 0 BGADHN Cc1ccc(CN2CC(Cc3ccccc3)C2)o1 ZINC000656651859 411316808 /nfs/dbraw/zinc/31/68/08/411316808.db2.gz NQCHZSJIPHHIAH-UHFFFAOYSA-N 0 3 241.334 3.263 20 0 BGADHN Cc1ccoc1CN1CC(Cc2ccccc2)C1 ZINC000656651876 411316555 /nfs/dbraw/zinc/31/65/55/411316555.db2.gz PUWSCWXEODNPRI-UHFFFAOYSA-N 0 3 241.334 3.263 20 0 BGADHN Oc1ccc(CN2CC3(C2)CCCCC3)cc1 ZINC000656660774 411318932 /nfs/dbraw/zinc/31/89/32/411318932.db2.gz HZXCKMQVNDDVEU-UHFFFAOYSA-N 0 3 231.339 3.158 20 0 BGADHN CCC1(CC)CN(Cc2[nH]nc3ccccc32)C1 ZINC000656661748 411319310 /nfs/dbraw/zinc/31/93/10/411319310.db2.gz IMXSPYCKXLKWJI-UHFFFAOYSA-N 0 3 243.354 3.185 20 0 BGADHN CCC1(CC)CN(Cc2ccc(O)cc2)C1 ZINC000656661762 411319652 /nfs/dbraw/zinc/31/96/52/411319652.db2.gz UBMUESVVXQARMH-UHFFFAOYSA-N 0 3 219.328 3.014 20 0 BGADHN CC1(CN2CC(Cc3ccc(F)cc3)C2)CC1 ZINC000656669901 411320862 /nfs/dbraw/zinc/32/08/62/411320862.db2.gz YGZDPRBYHOECMM-UHFFFAOYSA-N 0 3 233.330 3.100 20 0 BGADHN Oc1ccc(CN2CC(C3CCCCC3)C2)cc1 ZINC000656674339 411321863 /nfs/dbraw/zinc/32/18/63/411321863.db2.gz VUECPVBEPDMHOM-UHFFFAOYSA-N 0 3 245.366 3.404 20 0 BGADHN CCO[C@H]1C[C@H](N[C@H](C)c2ccccc2F)C1 ZINC000656682227 411321471 /nfs/dbraw/zinc/32/14/71/411321471.db2.gz RKZMFMZEWPHKQZ-IJLUTSLNSA-N 0 3 237.318 3.044 20 0 BGADHN CCO[C@H]1C[C@H](N[C@@H](C)c2ccccc2F)C1 ZINC000656682228 411321327 /nfs/dbraw/zinc/32/13/27/411321327.db2.gz RKZMFMZEWPHKQZ-SRVKXCTJSA-N 0 3 237.318 3.044 20 0 BGADHN C[C@@H](NCC1C[C@H](C)C[C@@H](C)C1)c1cnccn1 ZINC000656682852 411326777 /nfs/dbraw/zinc/32/67/77/411326777.db2.gz WWKMXORBQPXSOY-JHJVBQTASA-N 0 3 247.386 3.200 20 0 BGADHN C[C@H](NC[C@H]1C[C@H](C)C[C@H](C)C1)c1cnccn1 ZINC000656682854 411327470 /nfs/dbraw/zinc/32/74/70/411327470.db2.gz WWKMXORBQPXSOY-RFQIPJPRSA-N 0 3 247.386 3.200 20 0 BGADHN C[C@@H](NC[C@H]1C[C@H](C)C[C@H](C)C1)c1cnccn1 ZINC000656682857 411327326 /nfs/dbraw/zinc/32/73/26/411327326.db2.gz WWKMXORBQPXSOY-RQJABVFESA-N 0 3 247.386 3.200 20 0 BGADHN C[C@H](NCC1C[C@H](C)C[C@@H](C)C1)c1cnccn1 ZINC000656682859 411327317 /nfs/dbraw/zinc/32/73/17/411327317.db2.gz WWKMXORBQPXSOY-UPJWGTAASA-N 0 3 247.386 3.200 20 0 BGADHN Cc1cccc([C@H](C)N[C@H]2COC3(CCC3)C2)c1 ZINC000656684132 411327209 /nfs/dbraw/zinc/32/72/09/411327209.db2.gz URDPFDPVBBCSFG-DZGCQCFKSA-N 0 3 245.366 3.357 20 0 BGADHN Cc1cccc([C@@H](C)N[C@@H]2COC3(CCC3)C2)c1 ZINC000656684133 411326307 /nfs/dbraw/zinc/32/63/07/411326307.db2.gz URDPFDPVBBCSFG-HIFRSBDPSA-N 0 3 245.366 3.357 20 0 BGADHN Cc1cccc([C@@H](C)N[C@H]2COC3(CCC3)C2)c1 ZINC000656684134 411326469 /nfs/dbraw/zinc/32/64/69/411326469.db2.gz URDPFDPVBBCSFG-UKRRQHHQSA-N 0 3 245.366 3.357 20 0 BGADHN Cc1cccc([C@H](C)N[C@@H]2COC3(CCC3)C2)c1 ZINC000656684135 411327127 /nfs/dbraw/zinc/32/71/27/411327127.db2.gz URDPFDPVBBCSFG-ZFWWWQNUSA-N 0 3 245.366 3.357 20 0 BGADHN C[C@H](N[C@H]1COC2(CCC2)C1)c1ccccc1 ZINC000656684166 411326786 /nfs/dbraw/zinc/32/67/86/411326786.db2.gz VEHXXWMXXHXPRU-GXTWGEPZSA-N 0 3 231.339 3.049 20 0 BGADHN C[C@H](N[C@@H]1COC2(CCC2)C1)c1ccccc1 ZINC000656684168 411326808 /nfs/dbraw/zinc/32/68/08/411326808.db2.gz VEHXXWMXXHXPRU-JSGCOSHPSA-N 0 3 231.339 3.049 20 0 BGADHN C[C@@H](N[C@@H]1COC2(CCC2)C1)c1ccccc1 ZINC000656684170 411326371 /nfs/dbraw/zinc/32/63/71/411326371.db2.gz VEHXXWMXXHXPRU-OCCSQVGLSA-N 0 3 231.339 3.049 20 0 BGADHN C[C@@H](N[C@H]1COC2(CCC2)C1)c1ccccc1 ZINC000656684171 411327406 /nfs/dbraw/zinc/32/74/06/411327406.db2.gz VEHXXWMXXHXPRU-TZMCWYRMSA-N 0 3 231.339 3.049 20 0 BGADHN CCO[C@H]1C[C@H](N[C@@H](C)c2cccc(F)c2)C1 ZINC000656684312 411326487 /nfs/dbraw/zinc/32/64/87/411326487.db2.gz VFLCKJUIJDANNL-BPNCWPANSA-N 0 3 237.318 3.044 20 0 BGADHN CCO[C@H]1C[C@H](N[C@H](C)c2cccc(F)c2)C1 ZINC000656684313 411327241 /nfs/dbraw/zinc/32/72/41/411327241.db2.gz VFLCKJUIJDANNL-LERXQTSPSA-N 0 3 237.318 3.044 20 0 BGADHN C[C@@H](NCCc1ccoc1)c1ccccc1F ZINC000656685606 411328234 /nfs/dbraw/zinc/32/82/34/411328234.db2.gz VJIDNANBBPATHJ-LLVKDONJSA-N 0 3 233.286 3.312 20 0 BGADHN C[C@H](NCCc1ccoc1)c1ccccc1F ZINC000656685607 411328188 /nfs/dbraw/zinc/32/81/88/411328188.db2.gz VJIDNANBBPATHJ-NSHDSACASA-N 0 3 233.286 3.312 20 0 BGADHN CCC(CC)CN1CC(CC(F)(F)F)C1 ZINC000656686316 411329069 /nfs/dbraw/zinc/32/90/69/411329069.db2.gz CXHVXCWANUXNLI-UHFFFAOYSA-N 0 3 223.282 3.307 20 0 BGADHN FC(F)(F)CC1CN(C[C@H]2CC=CCC2)C1 ZINC000656686602 411328977 /nfs/dbraw/zinc/32/89/77/411328977.db2.gz PVVCYXTZVUHAMU-JTQLQIEISA-N 0 3 233.277 3.227 20 0 BGADHN FC(F)(F)CC1CN(C[C@@H]2CC=CCC2)C1 ZINC000656686603 411328659 /nfs/dbraw/zinc/32/86/59/411328659.db2.gz PVVCYXTZVUHAMU-SNVBAGLBSA-N 0 3 233.277 3.227 20 0 BGADHN FC(F)(F)CC1CN(CC2CCCCC2)C1 ZINC000656686644 411329420 /nfs/dbraw/zinc/32/94/20/411329420.db2.gz SZLPZQQTQFDCAP-UHFFFAOYSA-N 0 3 235.293 3.451 20 0 BGADHN CC(C)(C)CCN1CC(CC(F)(F)F)C1 ZINC000656688100 411328628 /nfs/dbraw/zinc/32/86/28/411328628.db2.gz GBTBGGXJJXPABK-UHFFFAOYSA-N 0 3 223.282 3.307 20 0 BGADHN CC1(CN2CC(CC(F)(F)F)C2)CCC1 ZINC000656688107 411328964 /nfs/dbraw/zinc/32/89/64/411328964.db2.gz GWTCKKFHRODWHM-UHFFFAOYSA-N 0 3 221.266 3.061 20 0 BGADHN CC(C)CCCN1CC(CC(F)(F)F)C1 ZINC000656688370 411328861 /nfs/dbraw/zinc/32/88/61/411328861.db2.gz LQKFJEZXWIKTMQ-UHFFFAOYSA-N 0 3 223.282 3.307 20 0 BGADHN CCC[C@@H](C)CN1CC(CC(F)(F)F)C1 ZINC000656688740 411329081 /nfs/dbraw/zinc/32/90/81/411329081.db2.gz QTKCXUJEXHMRBU-SECBINFHSA-N 0 3 223.282 3.307 20 0 BGADHN CCC[C@H](C)CN1CC(CC(F)(F)F)C1 ZINC000656688741 411329405 /nfs/dbraw/zinc/32/94/05/411329405.db2.gz QTKCXUJEXHMRBU-VIFPVBQESA-N 0 3 223.282 3.307 20 0 BGADHN CC[C@H](CN1CC(C(F)F)C1)c1ccccc1 ZINC000656690293 411330222 /nfs/dbraw/zinc/33/02/22/411330222.db2.gz IBARPAFLGLOKGW-LLVKDONJSA-N 0 3 239.309 3.377 20 0 BGADHN CC[C@@H](CN1CC(C(F)F)C1)c1ccccc1 ZINC000656690294 411330497 /nfs/dbraw/zinc/33/04/97/411330497.db2.gz IBARPAFLGLOKGW-NSHDSACASA-N 0 3 239.309 3.377 20 0 BGADHN C[C@H](CCN1CC(C(F)F)C1)c1ccccc1 ZINC000656690305 411330350 /nfs/dbraw/zinc/33/03/50/411330350.db2.gz JCUPBFQSYXKXTC-LLVKDONJSA-N 0 3 239.309 3.377 20 0 BGADHN C[C@@H](CCN1CC(C(F)F)C1)c1ccccc1 ZINC000656690306 411329875 /nfs/dbraw/zinc/32/98/75/411329875.db2.gz JCUPBFQSYXKXTC-NSHDSACASA-N 0 3 239.309 3.377 20 0 BGADHN CC1(C)CCC[C@H](CN2CC(C(F)F)C2)C1 ZINC000656690307 411330375 /nfs/dbraw/zinc/33/03/75/411330375.db2.gz JCZMIGNFAMGQBX-JTQLQIEISA-N 0 3 231.330 3.400 20 0 BGADHN CC1(C)CCC[C@@H](CN2CC(C(F)F)C2)C1 ZINC000656690308 411330782 /nfs/dbraw/zinc/33/07/82/411330782.db2.gz JCZMIGNFAMGQBX-SNVBAGLBSA-N 0 3 231.330 3.400 20 0 BGADHN C[C@@H]1CCCC[C@@H]1CN1CC(C(F)F)C1 ZINC000656690309 411330256 /nfs/dbraw/zinc/33/02/56/411330256.db2.gz JFMWTJYWKVCJQN-NXEZZACHSA-N 0 3 217.303 3.010 20 0 BGADHN C[C@H]1CCCC[C@H]1CN1CC(C(F)F)C1 ZINC000656690310 411330716 /nfs/dbraw/zinc/33/07/16/411330716.db2.gz JFMWTJYWKVCJQN-UWVGGRQHSA-N 0 3 217.303 3.010 20 0 BGADHN C[C@H]1CCCC[C@@H]1CN1CC(C(F)F)C1 ZINC000656690311 411330413 /nfs/dbraw/zinc/33/04/13/411330413.db2.gz JFMWTJYWKVCJQN-VHSXEESVSA-N 0 3 217.303 3.010 20 0 BGADHN C[C@@H]1CCCC[C@H]1CN1CC(C(F)F)C1 ZINC000656690312 411330551 /nfs/dbraw/zinc/33/05/51/411330551.db2.gz JFMWTJYWKVCJQN-ZJUUUORDSA-N 0 3 217.303 3.010 20 0 BGADHN CC(C)(CN1CC(C(F)F)C1)c1ccccc1 ZINC000656690350 411330846 /nfs/dbraw/zinc/33/08/46/411330846.db2.gz LCFXOBZETBSRCG-UHFFFAOYSA-N 0 3 239.309 3.161 20 0 BGADHN CC1=C[C@H](C)C[C@@H](CN2CC(C(F)F)C2)C1 ZINC000656690355 411329886 /nfs/dbraw/zinc/32/98/86/411329886.db2.gz LKNUFSLLZVTQDA-GXSJLCMTSA-N 0 3 229.314 3.176 20 0 BGADHN CC1=C[C@@H](C)C[C@H](CN2CC(C(F)F)C2)C1 ZINC000656690356 411330158 /nfs/dbraw/zinc/33/01/58/411330158.db2.gz LKNUFSLLZVTQDA-KOLCDFICSA-N 0 3 229.314 3.176 20 0 BGADHN CC1=C[C@@H](C)C[C@@H](CN2CC(C(F)F)C2)C1 ZINC000656690357 411330290 /nfs/dbraw/zinc/33/02/90/411330290.db2.gz LKNUFSLLZVTQDA-MWLCHTKSSA-N 0 3 229.314 3.176 20 0 BGADHN CC1=C[C@H](C)C[C@H](CN2CC(C(F)F)C2)C1 ZINC000656690358 411329799 /nfs/dbraw/zinc/32/97/99/411329799.db2.gz LKNUFSLLZVTQDA-ONGXEEELSA-N 0 3 229.314 3.176 20 0 BGADHN C[C@H](Cc1ccccc1)CN1CC(C(F)F)C1 ZINC000656690359 411330469 /nfs/dbraw/zinc/33/04/69/411330469.db2.gz LNAFWUSHJWMPAM-LLVKDONJSA-N 0 3 239.309 3.062 20 0 BGADHN C[C@@H](Cc1ccccc1)CN1CC(C(F)F)C1 ZINC000656690360 411330963 /nfs/dbraw/zinc/33/09/63/411330963.db2.gz LNAFWUSHJWMPAM-NSHDSACASA-N 0 3 239.309 3.062 20 0 BGADHN C[C@@H]1CCC[C@@H](CN2CC(C(F)F)C2)C1 ZINC000656690723 411330475 /nfs/dbraw/zinc/33/04/75/411330475.db2.gz PBYUJWXIPOXTLL-NXEZZACHSA-N 0 3 217.303 3.010 20 0 BGADHN C[C@H]1CCC[C@H](CN2CC(C(F)F)C2)C1 ZINC000656690724 411330674 /nfs/dbraw/zinc/33/06/74/411330674.db2.gz PBYUJWXIPOXTLL-UWVGGRQHSA-N 0 3 217.303 3.010 20 0 BGADHN C[C@H]1CCC[C@@H](CN2CC(C(F)F)C2)C1 ZINC000656690725 411330027 /nfs/dbraw/zinc/33/00/27/411330027.db2.gz PBYUJWXIPOXTLL-VHSXEESVSA-N 0 3 217.303 3.010 20 0 BGADHN C[C@@H]1CCC[C@H](CN2CC(C(F)F)C2)C1 ZINC000656690726 411330372 /nfs/dbraw/zinc/33/03/72/411330372.db2.gz PBYUJWXIPOXTLL-ZJUUUORDSA-N 0 3 217.303 3.010 20 0 BGADHN FC(F)C1CN(CCC2CCCCC2)C1 ZINC000656690945 411330417 /nfs/dbraw/zinc/33/04/17/411330417.db2.gz RWXCKZJOFLRLQH-UHFFFAOYSA-N 0 3 217.303 3.154 20 0 BGADHN CC[C@@H]1CCC[C@@H](CN2CC(C(F)F)C2)C1 ZINC000656691112 411330927 /nfs/dbraw/zinc/33/09/27/411330927.db2.gz WBTAEDGKBQKIEQ-GHMZBOCLSA-N 0 3 231.330 3.400 20 0 BGADHN CC[C@@H]1CCC[C@H](CN2CC(C(F)F)C2)C1 ZINC000656691113 411330622 /nfs/dbraw/zinc/33/06/22/411330622.db2.gz WBTAEDGKBQKIEQ-MNOVXSKESA-N 0 3 231.330 3.400 20 0 BGADHN CC[C@H]1CCC[C@H](CN2CC(C(F)F)C2)C1 ZINC000656691115 411330777 /nfs/dbraw/zinc/33/07/77/411330777.db2.gz WBTAEDGKBQKIEQ-QWRGUYRKSA-N 0 3 231.330 3.400 20 0 BGADHN CC[C@H]1CCC[C@@H](CN2CC(C(F)F)C2)C1 ZINC000656691117 411330241 /nfs/dbraw/zinc/33/02/41/411330241.db2.gz WBTAEDGKBQKIEQ-WDEREUQCSA-N 0 3 231.330 3.400 20 0 BGADHN Cc1cccc(C)c1CN1CC(C(F)F)C1 ZINC000656691136 411330937 /nfs/dbraw/zinc/33/09/37/411330937.db2.gz WPVTTWUMYBSPSE-UHFFFAOYSA-N 0 3 225.282 3.000 20 0 BGADHN FC1CC2(C1)CN(Cc1ccc(C3CC3)cc1)C2 ZINC000656693549 411331386 /nfs/dbraw/zinc/33/13/86/411331386.db2.gz JZYACSSADGRONH-UHFFFAOYSA-N 0 3 245.341 3.498 20 0 BGADHN Cc1cccc(CN2CC3(CC(F)C3)C2)c1C ZINC000656693692 411332004 /nfs/dbraw/zinc/33/20/04/411332004.db2.gz PPGGRQXPIRUPRC-UHFFFAOYSA-N 0 3 233.330 3.237 20 0 BGADHN CCc1ccc(CN2CC3(CC(F)C3)C2)cc1 ZINC000656693708 411331776 /nfs/dbraw/zinc/33/17/76/411331776.db2.gz QRTACIKOLOBBHJ-UHFFFAOYSA-N 0 3 233.330 3.183 20 0 BGADHN FC1CC2(C1)CN(Cc1ccccc1C1CC1)C2 ZINC000656693745 411331343 /nfs/dbraw/zinc/33/13/43/411331343.db2.gz ADJLTGKCEAFWBK-UHFFFAOYSA-N 0 3 245.341 3.498 20 0 BGADHN FC1CC2(C1)CN(Cc1cccc3cc[nH]c31)C2 ZINC000656693779 411331734 /nfs/dbraw/zinc/33/17/34/411331734.db2.gz BVWXAWDWZVLRIY-UHFFFAOYSA-N 0 3 244.313 3.102 20 0 BGADHN FC1CC2(C1)CN(C[C@@H]1C[C@H]1c1ccccc1)C2 ZINC000656693938 411331443 /nfs/dbraw/zinc/33/14/43/411331443.db2.gz YOZXTLZPZLBORR-ZFWWWQNUSA-N 0 3 245.341 3.224 20 0 BGADHN FC1CC2(C1)CN(Cc1cccc3[nH]ccc31)C2 ZINC000656694001 411331499 /nfs/dbraw/zinc/33/14/99/411331499.db2.gz JEOKEWBEPYPWJL-UHFFFAOYSA-N 0 3 244.313 3.102 20 0 BGADHN Cc1ccc(CN2CC3(CC(F)C3)C2)c(C)c1 ZINC000656694010 411331833 /nfs/dbraw/zinc/33/18/33/411331833.db2.gz VQSGBPRAHLCTKZ-UHFFFAOYSA-N 0 3 233.330 3.237 20 0 BGADHN Cc1ccc(CN2CC3(CC(F)C3)C2)cc1C ZINC000656694040 411331647 /nfs/dbraw/zinc/33/16/47/411331647.db2.gz ZYFHZCRSGYUJER-UHFFFAOYSA-N 0 3 233.330 3.237 20 0 BGADHN C[C@H](Cc1ccccc1)CN1CC2(CC(F)C2)C1 ZINC000656695224 411332959 /nfs/dbraw/zinc/33/29/59/411332959.db2.gz AHZZNIVWENXXRA-CYBMUJFWSA-N 0 3 247.357 3.299 20 0 BGADHN C[C@@H](Cc1ccccc1)CN1CC2(CC(F)C2)C1 ZINC000656695225 411333428 /nfs/dbraw/zinc/33/34/28/411333428.db2.gz AHZZNIVWENXXRA-ZDUSSCGKSA-N 0 3 247.357 3.299 20 0 BGADHN CC(C)(CN1CC2(CC(F)C2)C1)c1ccccc1 ZINC000656695600 411332839 /nfs/dbraw/zinc/33/28/39/411332839.db2.gz OUHGNZFQWVWVDR-UHFFFAOYSA-N 0 3 247.357 3.398 20 0 BGADHN C[C@H](CN1CC2(CC(F)C2)C1)c1ccccc1 ZINC000656695751 411333048 /nfs/dbraw/zinc/33/30/48/411333048.db2.gz RHRLQVDNFVQWGU-GFCCVEGCSA-N 0 3 233.330 3.224 20 0 BGADHN C[C@@H](CN1CC2(CC(F)C2)C1)c1ccccc1 ZINC000656695753 411333371 /nfs/dbraw/zinc/33/33/71/411333371.db2.gz RHRLQVDNFVQWGU-LBPRGKRZSA-N 0 3 233.330 3.224 20 0 BGADHN Cc1cccc(C)c1CN1CC2(CC(F)C2)C1 ZINC000656695764 411332686 /nfs/dbraw/zinc/33/26/86/411332686.db2.gz RVXGCBPNXNFLHQ-UHFFFAOYSA-N 0 3 233.330 3.237 20 0 BGADHN FC1CC2(C1)CN(CCC1CCCCC1)C2 ZINC000656695887 411333180 /nfs/dbraw/zinc/33/31/80/411333180.db2.gz VUNIKQBJVWHEBY-UHFFFAOYSA-N 0 3 225.351 3.391 20 0 BGADHN C[C@@H](Cc1ccsc1)N1CC2(CC(F)C2)C1 ZINC000656695920 411332976 /nfs/dbraw/zinc/33/29/76/411332976.db2.gz XPJYNGOXHBMFJY-JTQLQIEISA-N 0 3 239.359 3.113 20 0 BGADHN C[C@H](Cc1ccsc1)N1CC2(CC(F)C2)C1 ZINC000656695921 411332906 /nfs/dbraw/zinc/33/29/06/411332906.db2.gz XPJYNGOXHBMFJY-SNVBAGLBSA-N 0 3 239.359 3.113 20 0 BGADHN CCc1cnc(CN[C@]2(C)CCCC[C@H]2C)o1 ZINC000656722088 411340491 /nfs/dbraw/zinc/34/04/91/411340491.db2.gz IMMNCNKGFQPXQO-BXUZGUMPSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1cnc(CN[C@@]2(C)CCCC[C@@H]2C)o1 ZINC000656722090 411341125 /nfs/dbraw/zinc/34/11/25/411341125.db2.gz IMMNCNKGFQPXQO-FZMZJTMJSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1cnc(CN[C@@]2(C)CCCC[C@H]2C)o1 ZINC000656722091 411340667 /nfs/dbraw/zinc/34/06/67/411340667.db2.gz IMMNCNKGFQPXQO-RISCZKNCSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1cnc(CN[C@]2(C)CCCC[C@@H]2C)o1 ZINC000656722093 411341072 /nfs/dbraw/zinc/34/10/72/411341072.db2.gz IMMNCNKGFQPXQO-SMDDNHRTSA-N 0 3 236.359 3.295 20 0 BGADHN Cc1nc(C)c(CN[C@@]2(C)CCCC[C@@H]2C)o1 ZINC000656726363 411340416 /nfs/dbraw/zinc/34/04/16/411340416.db2.gz QDLASYZDQLYNCZ-HZMBPMFUSA-N 0 3 236.359 3.350 20 0 BGADHN Cc1nc(C)c(CN[C@]2(C)CCCC[C@@H]2C)o1 ZINC000656726364 411341162 /nfs/dbraw/zinc/34/11/62/411341162.db2.gz QDLASYZDQLYNCZ-IINYFYTJSA-N 0 3 236.359 3.350 20 0 BGADHN Cc1nc(C)c(CN[C@]2(C)CCCC[C@H]2C)o1 ZINC000656726365 411340562 /nfs/dbraw/zinc/34/05/62/411340562.db2.gz QDLASYZDQLYNCZ-QMTHXVAHSA-N 0 3 236.359 3.350 20 0 BGADHN Cc1nc(C)c(CN[C@@]2(C)CCCC[C@H]2C)o1 ZINC000656726366 411340866 /nfs/dbraw/zinc/34/08/66/411340866.db2.gz QDLASYZDQLYNCZ-YGRLFVJLSA-N 0 3 236.359 3.350 20 0 BGADHN Oc1ccc(CN2CC(C3CCCC3)C2)cc1 ZINC000656729903 411341086 /nfs/dbraw/zinc/34/10/86/411341086.db2.gz UBCNAFBLNFDGGX-UHFFFAOYSA-N 0 3 231.339 3.014 20 0 BGADHN Cc1cc(C)nc(NCc2nccn2C(C)C)c1 ZINC000656769482 411362809 /nfs/dbraw/zinc/36/28/09/411362809.db2.gz UVVLWOQIFQAJMM-UHFFFAOYSA-N 0 3 244.342 3.088 20 0 BGADHN CCCc1ccc(CN2CC(C)(COC)C2)cc1 ZINC000656775767 411357037 /nfs/dbraw/zinc/35/70/37/411357037.db2.gz GPYULCGTOVKNBF-UHFFFAOYSA-N 0 3 247.382 3.107 20 0 BGADHN COCC1(C)CN(Cc2ccccc2C2CC2)C1 ZINC000656780087 411358514 /nfs/dbraw/zinc/35/85/14/411358514.db2.gz MOSZXSPFGAMZBK-UHFFFAOYSA-N 0 3 245.366 3.032 20 0 BGADHN Cc1cccc(C)c1CNCc1cccc(N)c1 ZINC000656786835 411365478 /nfs/dbraw/zinc/36/54/78/411365478.db2.gz AVZGBAYVZOSYDJ-UHFFFAOYSA-N 0 3 240.350 3.175 20 0 BGADHN Cc1cccc(CNCc2cccc(N)c2)c1C ZINC000656786884 411365415 /nfs/dbraw/zinc/36/54/15/411365415.db2.gz CQOBHNFFVPPSEM-UHFFFAOYSA-N 0 3 240.350 3.175 20 0 BGADHN Cc1cc(C)cc(CNCc2cccc(N)c2)c1 ZINC000656786922 411366460 /nfs/dbraw/zinc/36/64/60/411366460.db2.gz DQHJFHZKDGYSNJ-UHFFFAOYSA-N 0 3 240.350 3.175 20 0 BGADHN Cc1cc(CNCc2cccc(N)c2)c(C)s1 ZINC000656787576 411366375 /nfs/dbraw/zinc/36/63/75/411366375.db2.gz NSEYEQIVVGHFFG-UHFFFAOYSA-N 0 3 246.379 3.237 20 0 BGADHN CCC1(CC)CCCN(Cc2ccc(N)nc2)C1 ZINC000656790844 411370448 /nfs/dbraw/zinc/37/04/48/411370448.db2.gz BLMOYSJHJJDWHY-UHFFFAOYSA-N 0 3 247.386 3.066 20 0 BGADHN CCC1(C)CN(Cc2nccc3ccccc32)C1 ZINC000656799358 411373774 /nfs/dbraw/zinc/37/37/74/411373774.db2.gz NBIDZLFBNWPGBA-UHFFFAOYSA-N 0 3 240.350 3.467 20 0 BGADHN CCC1(C)CN(Cc2cccc3cnccc32)C1 ZINC000656807549 411374721 /nfs/dbraw/zinc/37/47/21/411374721.db2.gz DQGLDKXJFFIFIQ-UHFFFAOYSA-N 0 3 240.350 3.467 20 0 BGADHN CCC1(C)CN([C@H](C)Cc2ccsc2)C1 ZINC000656807557 411374680 /nfs/dbraw/zinc/37/46/80/411374680.db2.gz KOUMGQJMKYMFMP-LLVKDONJSA-N 0 3 223.385 3.411 20 0 BGADHN CCC1(C)CN([C@@H](C)Cc2ccsc2)C1 ZINC000656807558 411374248 /nfs/dbraw/zinc/37/42/48/411374248.db2.gz KOUMGQJMKYMFMP-NSHDSACASA-N 0 3 223.385 3.411 20 0 BGADHN CCC1(C)CN(C[C@H]2CCOc3ccccc32)C1 ZINC000656807569 411374946 /nfs/dbraw/zinc/37/49/46/411374946.db2.gz PHNWZEJSJPRIOT-CYBMUJFWSA-N 0 3 245.366 3.285 20 0 BGADHN CCC1(C)CN(C[C@@H]2CCOc3ccccc32)C1 ZINC000656807570 411375030 /nfs/dbraw/zinc/37/50/30/411375030.db2.gz PHNWZEJSJPRIOT-ZDUSSCGKSA-N 0 3 245.366 3.285 20 0 BGADHN CCC1(C)CN(Cc2ccc3cnccc3c2)C1 ZINC000656807586 411374441 /nfs/dbraw/zinc/37/44/41/411374441.db2.gz YNFGADBDMRICEI-UHFFFAOYSA-N 0 3 240.350 3.467 20 0 BGADHN CC(C)(C)C1CN(Cc2[nH]nc3ccccc32)C1 ZINC000656834239 411377439 /nfs/dbraw/zinc/37/74/39/411377439.db2.gz UPNQGUKIOFAINH-UHFFFAOYSA-N 0 3 243.354 3.041 20 0 BGADHN CC(C)(C)C1CN(Cc2n[nH]c3ccccc32)C1 ZINC000656834239 411377437 /nfs/dbraw/zinc/37/74/37/411377437.db2.gz UPNQGUKIOFAINH-UHFFFAOYSA-N 0 3 243.354 3.041 20 0 BGADHN CCO[C@H]1C[C@@H](NCc2cscc2Cl)C1 ZINC000656873006 411386618 /nfs/dbraw/zinc/38/66/18/411386618.db2.gz YSAMPXWHKXZTLZ-AOOOYVTPSA-N 0 3 245.775 3.059 20 0 BGADHN CCCC[C@@H](CCC)NCc1cnc(C)o1 ZINC000657102844 411407105 /nfs/dbraw/zinc/40/71/05/411407105.db2.gz IDWQJKUBDAHEBI-GFCCVEGCSA-N 0 3 224.348 3.432 20 0 BGADHN CCCC[C@H](CCC)NCc1cnc(C)o1 ZINC000657102846 411406660 /nfs/dbraw/zinc/40/66/60/411406660.db2.gz IDWQJKUBDAHEBI-LBPRGKRZSA-N 0 3 224.348 3.432 20 0 BGADHN Cc1ncc(CNC[C@@H]2CCCC(C)(C)C2)o1 ZINC000657102902 411406535 /nfs/dbraw/zinc/40/65/35/411406535.db2.gz GAZAWXYAFJDSAT-GFCCVEGCSA-N 0 3 236.359 3.289 20 0 BGADHN Cc1ncc(CNC[C@H]2CCCC(C)(C)C2)o1 ZINC000657102903 411407147 /nfs/dbraw/zinc/40/71/47/411407147.db2.gz GAZAWXYAFJDSAT-LBPRGKRZSA-N 0 3 236.359 3.289 20 0 BGADHN Cc1ncc(CNCC(C)(C)c2ccccc2)o1 ZINC000657102935 411406364 /nfs/dbraw/zinc/40/63/64/411406364.db2.gz SAACDLFKWAFXHE-UHFFFAOYSA-N 0 3 244.338 3.050 20 0 BGADHN CC(C)[C@@H]1N(Cc2cn[nH]c2)CC12CCCCC2 ZINC000657175060 411414974 /nfs/dbraw/zinc/41/49/74/411414974.db2.gz WAWIJYCHJFJIEH-AWEZNQCLSA-N 0 3 247.386 3.200 20 0 BGADHN CC(C)[C@H]1N(Cc2cn[nH]c2)CC12CCCCC2 ZINC000657175062 411415172 /nfs/dbraw/zinc/41/51/72/411415172.db2.gz WAWIJYCHJFJIEH-CQSZACIVSA-N 0 3 247.386 3.200 20 0 BGADHN CCOc1ccc(CN(C)C2CC(C)(C)C2)nc1 ZINC000657191999 411416796 /nfs/dbraw/zinc/41/67/96/411416796.db2.gz OUPRVEPZMYGEFI-UHFFFAOYSA-N 0 3 248.370 3.101 20 0 BGADHN CN(Cc1[nH]nc2ccccc21)C1CC(C)(C)C1 ZINC000657192000 411417268 /nfs/dbraw/zinc/41/72/68/411417268.db2.gz OWYQJFHIRHPSBO-UHFFFAOYSA-N 0 3 243.354 3.183 20 0 BGADHN CN(Cc1n[nH]c2ccccc21)C1CC(C)(C)C1 ZINC000657192000 411417266 /nfs/dbraw/zinc/41/72/66/411417266.db2.gz OWYQJFHIRHPSBO-UHFFFAOYSA-N 0 3 243.354 3.183 20 0 BGADHN Fc1cccc2c1CN(C1CCCC1)C2 ZINC000657192340 411416972 /nfs/dbraw/zinc/41/69/72/411416972.db2.gz QXJBYMXUPKZLIZ-UHFFFAOYSA-N 0 3 205.276 3.084 20 0 BGADHN CC[C@@H]1OCC[C@H]1NCc1cscc1Cl ZINC000657244948 411425929 /nfs/dbraw/zinc/42/59/29/411425929.db2.gz JKHKNSOBPBCNLP-MNOVXSKESA-N 0 3 245.775 3.059 20 0 BGADHN Cc1ccnc(CN(C)C2CC(C)(C)C2)c1 ZINC000657245078 411425781 /nfs/dbraw/zinc/42/57/81/411425781.db2.gz HMXGALXFKWJHTA-UHFFFAOYSA-N 0 3 218.344 3.010 20 0 BGADHN C[C@]1(NCc2nc3c(s2)CCC3)CC=CCC1 ZINC000657251153 411433809 /nfs/dbraw/zinc/43/38/09/411433809.db2.gz JIDIVIFEKQFNEQ-AWEZNQCLSA-N 0 3 248.395 3.220 20 0 BGADHN C[C@@]1(NCc2nc3c(s2)CCC3)CC=CCC1 ZINC000657251154 411434305 /nfs/dbraw/zinc/43/43/05/411434305.db2.gz JIDIVIFEKQFNEQ-CQSZACIVSA-N 0 3 248.395 3.220 20 0 BGADHN c1ccc(C2CC2)c(CN2C[C@@H]3C[C@H]2CS3)c1 ZINC000657260734 411432603 /nfs/dbraw/zinc/43/26/03/411432603.db2.gz PPSQDMSIHIPVNM-KBPBESRZSA-N 0 3 245.391 3.254 20 0 BGADHN Cc1nc(C)c(CNC2(C3CCC3)CCC2)o1 ZINC000657263885 411437204 /nfs/dbraw/zinc/43/72/04/411437204.db2.gz ZSUHWRNMZANSQB-UHFFFAOYSA-N 0 3 234.343 3.104 20 0 BGADHN Cc1nc(CNCCC2=CCCCC2)[nH]c1C ZINC000657283661 411441842 /nfs/dbraw/zinc/44/18/42/411441842.db2.gz FOQKEGBQAKCLEW-UHFFFAOYSA-N 0 3 233.359 3.007 20 0 BGADHN CCC[C@@H](C)NCc1ccc(F)c(F)c1F ZINC000657283796 411441904 /nfs/dbraw/zinc/44/19/04/411441904.db2.gz IBBBSBJLXXWZPP-MRVPVSSYSA-N 0 3 231.261 3.382 20 0 BGADHN CCC[C@H](C)NCc1ccc(F)c(F)c1F ZINC000657283801 411442026 /nfs/dbraw/zinc/44/20/26/411442026.db2.gz IBBBSBJLXXWZPP-QMMMGPOBSA-N 0 3 231.261 3.382 20 0 BGADHN CC(C)n1ccnc1CNCCC1=CCCCC1 ZINC000657284268 411443313 /nfs/dbraw/zinc/44/33/13/411443313.db2.gz MOCINTJBXPPLQM-UHFFFAOYSA-N 0 3 247.386 3.444 20 0 BGADHN CCc1cccc2cc(CN[C@H](C)COC)oc21 ZINC000657285659 411444074 /nfs/dbraw/zinc/44/40/74/411444074.db2.gz LSCFIQQKUXJHDR-LLVKDONJSA-N 0 3 247.338 3.120 20 0 BGADHN CCCCNCc1cccc(OC2CC2)c1F ZINC000657285666 411444355 /nfs/dbraw/zinc/44/43/55/411444355.db2.gz GRIUKHTUTQJKRS-UHFFFAOYSA-N 0 3 237.318 3.257 20 0 BGADHN CCC(CC)NCc1ccc(F)c(F)c1F ZINC000657285820 411444933 /nfs/dbraw/zinc/44/49/33/411444933.db2.gz DDKUGXSGTCBTTE-UHFFFAOYSA-N 0 3 231.261 3.382 20 0 BGADHN CCCCNCc1cccc(F)c1OC(F)F ZINC000657285954 411444192 /nfs/dbraw/zinc/44/41/92/411444192.db2.gz ISOBERNQOKZOGO-UHFFFAOYSA-N 0 3 247.260 3.317 20 0 BGADHN CC(C)CNCc1cccc(OC2CC2)c1F ZINC000657286279 411445831 /nfs/dbraw/zinc/44/58/31/411445831.db2.gz NTWKPKRMKAUTLB-UHFFFAOYSA-N 0 3 237.318 3.113 20 0 BGADHN Cc1c[nH]c(CN[C@H](C)CCCC(C)C)n1 ZINC000657286467 411446105 /nfs/dbraw/zinc/44/61/05/411446105.db2.gz XVGMXJATGYEBMA-LLVKDONJSA-N 0 3 223.364 3.023 20 0 BGADHN Cc1c[nH]c(CN[C@@H](C)CCCC(C)C)n1 ZINC000657286468 411445896 /nfs/dbraw/zinc/44/58/96/411445896.db2.gz XVGMXJATGYEBMA-NSHDSACASA-N 0 3 223.364 3.023 20 0 BGADHN CC(C)CCC[C@@H](C)NCc1cc2n(n1)CCC2 ZINC000657286514 411446132 /nfs/dbraw/zinc/44/61/32/411446132.db2.gz ZLKSQZPZUCEYMQ-CYBMUJFWSA-N 0 3 249.402 3.134 20 0 BGADHN CC(C)CCC[C@H](C)NCc1cc2n(n1)CCC2 ZINC000657286515 411445930 /nfs/dbraw/zinc/44/59/30/411445930.db2.gz ZLKSQZPZUCEYMQ-ZDUSSCGKSA-N 0 3 249.402 3.134 20 0 BGADHN CC(C)CC[C@@H](C)NCc1nccn1C(C)C ZINC000657286560 411445512 /nfs/dbraw/zinc/44/55/12/411445512.db2.gz PPZQNOHOWJMVMO-CYBMUJFWSA-N 0 3 237.391 3.378 20 0 BGADHN CC(C)CC[C@H](C)NCc1nccn1C(C)C ZINC000657286561 411446017 /nfs/dbraw/zinc/44/60/17/411446017.db2.gz PPZQNOHOWJMVMO-ZDUSSCGKSA-N 0 3 237.391 3.378 20 0 BGADHN Fc1c(CNC2CCCC2)cccc1OC1CC1 ZINC000657286583 411445558 /nfs/dbraw/zinc/44/55/58/411445558.db2.gz PSZMOVPMBMOIJX-UHFFFAOYSA-N 0 3 249.329 3.399 20 0 BGADHN CCc1cccc2cc(CNCCCOC)oc21 ZINC000657286855 411445516 /nfs/dbraw/zinc/44/55/16/411445516.db2.gz UMQYPFJSLXGTKM-UHFFFAOYSA-N 0 3 247.338 3.121 20 0 BGADHN CC(C)n1ccnc1CNCC1CCCCC1 ZINC000657287004 411446217 /nfs/dbraw/zinc/44/62/17/411446217.db2.gz FXNQCYKOYZNTGK-UHFFFAOYSA-N 0 3 235.375 3.134 20 0 BGADHN CC[C@@H](C)NCc1cc(F)ccc1OC(F)F ZINC000657287018 411445782 /nfs/dbraw/zinc/44/57/82/411445782.db2.gz GDANZGSOGBAUQT-MRVPVSSYSA-N 0 3 247.260 3.315 20 0 BGADHN CC[C@H](C)NCc1cc(F)ccc1OC(F)F ZINC000657287019 411445853 /nfs/dbraw/zinc/44/58/53/411445853.db2.gz GDANZGSOGBAUQT-QMMMGPOBSA-N 0 3 247.260 3.315 20 0 BGADHN CCCC[C@@H](CC)CNCc1nc(C)c[nH]1 ZINC000657287022 411447070 /nfs/dbraw/zinc/44/70/70/411447070.db2.gz GDEPKCKVXJFMJJ-GFCCVEGCSA-N 0 3 223.364 3.024 20 0 BGADHN CCCC[C@H](CC)CNCc1nc(C)c[nH]1 ZINC000657287027 411447137 /nfs/dbraw/zinc/44/71/37/411447137.db2.gz GDEPKCKVXJFMJJ-LBPRGKRZSA-N 0 3 223.364 3.024 20 0 BGADHN CC[C@@H](C)NCc1cccc(F)c1OC(F)F ZINC000657287181 411447317 /nfs/dbraw/zinc/44/73/17/411447317.db2.gz HSQJXKZQGAXUSP-MRVPVSSYSA-N 0 3 247.260 3.315 20 0 BGADHN CC[C@H](C)NCc1cccc(F)c1OC(F)F ZINC000657287182 411446739 /nfs/dbraw/zinc/44/67/39/411446739.db2.gz HSQJXKZQGAXUSP-QMMMGPOBSA-N 0 3 247.260 3.315 20 0 BGADHN COCCNCc1cccc(C2CCCC2)c1 ZINC000657287226 411446971 /nfs/dbraw/zinc/44/69/71/411446971.db2.gz IVNYQLQNFCGLHZ-UHFFFAOYSA-N 0 3 233.355 3.080 20 0 BGADHN CCCCNCc1cc(F)ccc1OC(F)F ZINC000657287283 411446817 /nfs/dbraw/zinc/44/68/17/411446817.db2.gz XKUUQFQILZGOLE-UHFFFAOYSA-N 0 3 247.260 3.317 20 0 BGADHN CC[C@H](C)NCc1cccc(OC2CC2)c1F ZINC000657287463 411446650 /nfs/dbraw/zinc/44/66/50/411446650.db2.gz NCPJJDKNKJPGBF-JTQLQIEISA-N 0 3 237.318 3.255 20 0 BGADHN CC[C@@H](C)NCc1cccc(OC2CC2)c1F ZINC000657287464 411446684 /nfs/dbraw/zinc/44/66/84/411446684.db2.gz NCPJJDKNKJPGBF-SNVBAGLBSA-N 0 3 237.318 3.255 20 0 BGADHN CCCC[C@@H](CC)CNCc1cc2n(n1)CCC2 ZINC000657287482 411447125 /nfs/dbraw/zinc/44/71/25/411447125.db2.gz NQMCITOQNGKUKK-CYBMUJFWSA-N 0 3 249.402 3.135 20 0 BGADHN CCCC[C@H](CC)CNCc1cc2n(n1)CCC2 ZINC000657287483 411446966 /nfs/dbraw/zinc/44/69/66/411446966.db2.gz NQMCITOQNGKUKK-ZDUSSCGKSA-N 0 3 249.402 3.135 20 0 BGADHN COCc1csc(CNCc2ccccc2)c1 ZINC000657288776 411449967 /nfs/dbraw/zinc/44/99/67/411449967.db2.gz AKUHKNQNMAOTIO-UHFFFAOYSA-N 0 3 247.363 3.184 20 0 BGADHN CC[C@H](CNCc1nc(C)c[nH]1)c1ccccc1 ZINC000657293027 411453137 /nfs/dbraw/zinc/45/31/37/411453137.db2.gz UOGOWNMAWLKHLC-CYBMUJFWSA-N 0 3 243.354 3.002 20 0 BGADHN CC[C@@H](CNCc1nc(C)c[nH]1)c1ccccc1 ZINC000657293028 411453190 /nfs/dbraw/zinc/45/31/90/411453190.db2.gz UOGOWNMAWLKHLC-ZDUSSCGKSA-N 0 3 243.354 3.002 20 0 BGADHN C[C@H](NCc1cccc(OC2CC2)c1F)C1CC1 ZINC000657293372 411450691 /nfs/dbraw/zinc/45/06/91/411450691.db2.gz MPRSIMKFSZJZRL-JTQLQIEISA-N 0 3 249.329 3.255 20 0 BGADHN C[C@@H](NCc1cccc(OC2CC2)c1F)C1CC1 ZINC000657293373 411450177 /nfs/dbraw/zinc/45/01/77/411450177.db2.gz MPRSIMKFSZJZRL-SNVBAGLBSA-N 0 3 249.329 3.255 20 0 BGADHN Cc1c[nH]c(CN[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)n1 ZINC000657296177 411454858 /nfs/dbraw/zinc/45/48/58/411454858.db2.gz DUFDEFCTESBTOR-BFHYXJOUSA-N 0 3 247.386 3.167 20 0 BGADHN Cc1c[nH]c(CN[C@@H]2CC[C@H]3CCCC[C@H]3C2)n1 ZINC000657296179 411454647 /nfs/dbraw/zinc/45/46/47/411454647.db2.gz DUFDEFCTESBTOR-HZSPNIEDSA-N 0 3 247.386 3.167 20 0 BGADHN Cc1c[nH]c(CN[C@@H]2CC[C@@H]3CCCC[C@H]3C2)n1 ZINC000657296183 411454317 /nfs/dbraw/zinc/45/43/17/411454317.db2.gz DUFDEFCTESBTOR-MELADBBJSA-N 0 3 247.386 3.167 20 0 BGADHN Cc1c[nH]c(CN[C@@H]2CC[C@H]3CCCC[C@@H]3C2)n1 ZINC000657296185 411454246 /nfs/dbraw/zinc/45/42/46/411454246.db2.gz DUFDEFCTESBTOR-MGPQQGTHSA-N 0 3 247.386 3.167 20 0 BGADHN CC[C@H]1C[C@@H](NCc2ccc(Cl)s2)CO1 ZINC000657296933 411454194 /nfs/dbraw/zinc/45/41/94/411454194.db2.gz FKUABHRYBYYZBS-BDAKNGLRSA-N 0 3 245.775 3.059 20 0 BGADHN CC[C@@H]1C[C@H](NCc2ccc(Cl)s2)CO1 ZINC000657296935 411454831 /nfs/dbraw/zinc/45/48/31/411454831.db2.gz FKUABHRYBYYZBS-DTWKUNHWSA-N 0 3 245.775 3.059 20 0 BGADHN CC[C@H]1C[C@H](NCc2ccc(Cl)s2)CO1 ZINC000657296937 411454007 /nfs/dbraw/zinc/45/40/07/411454007.db2.gz FKUABHRYBYYZBS-IUCAKERBSA-N 0 3 245.775 3.059 20 0 BGADHN CC[C@@H]1C[C@@H](NCc2ccc(Cl)s2)CO1 ZINC000657296939 411454790 /nfs/dbraw/zinc/45/47/90/411454790.db2.gz FKUABHRYBYYZBS-RKDXNWHRSA-N 0 3 245.775 3.059 20 0 BGADHN CC(C)n1ccnc1CNCCC1CCCC1 ZINC000657298798 411455315 /nfs/dbraw/zinc/45/53/15/411455315.db2.gz OYSNALROVYGFHB-UHFFFAOYSA-N 0 3 235.375 3.134 20 0 BGADHN Fc1ccc(CNCC2CCCC2)c(F)c1F ZINC000657300704 411458051 /nfs/dbraw/zinc/45/80/51/411458051.db2.gz SUWLOCAGJCKGDX-UHFFFAOYSA-N 0 3 243.272 3.384 20 0 BGADHN Cc1nc(CNCCC2CCCCC2)[nH]c1C ZINC000657300862 411458492 /nfs/dbraw/zinc/45/84/92/411458492.db2.gz VRNAGQRHJVGHBQ-UHFFFAOYSA-N 0 3 235.375 3.087 20 0 BGADHN Cc1c[nH]c(CN[C@@H]2CCCC[C@H]2C(C)(C)C)n1 ZINC000657301411 411455676 /nfs/dbraw/zinc/45/56/76/411455676.db2.gz DKGYKNZGYJNZHP-CHWSQXEVSA-N 0 3 249.402 3.413 20 0 BGADHN Cc1c[nH]c(CN[C@H]2CCCC[C@H]2C(C)(C)C)n1 ZINC000657301412 411455038 /nfs/dbraw/zinc/45/50/38/411455038.db2.gz DKGYKNZGYJNZHP-OLZOCXBDSA-N 0 3 249.402 3.413 20 0 BGADHN Cc1c[nH]c(CN[C@@H]2CCCC[C@@H]2C(C)(C)C)n1 ZINC000657301413 411455479 /nfs/dbraw/zinc/45/54/79/411455479.db2.gz DKGYKNZGYJNZHP-QWHCGFSZSA-N 0 3 249.402 3.413 20 0 BGADHN Cc1c[nH]c(CN[C@H]2CCCC[C@@H]2C(C)(C)C)n1 ZINC000657301414 411455522 /nfs/dbraw/zinc/45/55/22/411455522.db2.gz DKGYKNZGYJNZHP-STQMWFEESA-N 0 3 249.402 3.413 20 0 BGADHN CC(C)(C)NCc1cccc(OC2CC2)c1F ZINC000657305861 411457067 /nfs/dbraw/zinc/45/70/67/411457067.db2.gz UXMYUBZNNXOSGG-UHFFFAOYSA-N 0 3 237.318 3.255 20 0 BGADHN Cc1c[nH]c(CNC(C)(C)CC(C)(C)C)n1 ZINC000657305979 411458066 /nfs/dbraw/zinc/45/80/66/411458066.db2.gz WOJCFRKOWRWVBR-UHFFFAOYSA-N 0 3 223.364 3.023 20 0 BGADHN Cc1c[nH]c(CNCCCC2CCCCC2)n1 ZINC000657309708 411459599 /nfs/dbraw/zinc/45/95/99/411459599.db2.gz QSNRAXYFFVUNBC-UHFFFAOYSA-N 0 3 235.375 3.168 20 0 BGADHN C[C@H]1C[C@@H]1CNCc1cccc(OC2CC2)c1F ZINC000657310616 411459494 /nfs/dbraw/zinc/45/94/94/411459494.db2.gz NYEKDHZIWZFPRM-CMPLNLGQSA-N 0 3 249.329 3.113 20 0 BGADHN C[C@H]1C[C@H]1CNCc1cccc(OC2CC2)c1F ZINC000657310618 411459510 /nfs/dbraw/zinc/45/95/10/411459510.db2.gz NYEKDHZIWZFPRM-JQWIXIFHSA-N 0 3 249.329 3.113 20 0 BGADHN C[C@@H]1C[C@H]1CNCc1cccc(OC2CC2)c1F ZINC000657310620 411459420 /nfs/dbraw/zinc/45/94/20/411459420.db2.gz NYEKDHZIWZFPRM-PWSUYJOCSA-N 0 3 249.329 3.113 20 0 BGADHN C[C@@H]1C[C@@H]1CNCc1cccc(OC2CC2)c1F ZINC000657310622 411459137 /nfs/dbraw/zinc/45/91/37/411459137.db2.gz NYEKDHZIWZFPRM-ZYHUDNBSSA-N 0 3 249.329 3.113 20 0 BGADHN CC[C@@H]1C[C@@H](NCc2cc3ccccc3o2)CO1 ZINC000657312923 411460167 /nfs/dbraw/zinc/46/01/67/411460167.db2.gz MFHXNEZOGHYZFV-CHWSQXEVSA-N 0 3 245.322 3.090 20 0 BGADHN CC[C@H]1C[C@@H](NCc2cc3ccccc3o2)CO1 ZINC000657312924 411460501 /nfs/dbraw/zinc/46/05/01/411460501.db2.gz MFHXNEZOGHYZFV-OLZOCXBDSA-N 0 3 245.322 3.090 20 0 BGADHN CC[C@@H]1C[C@H](NCc2cc3ccccc3o2)CO1 ZINC000657312925 411460653 /nfs/dbraw/zinc/46/06/53/411460653.db2.gz MFHXNEZOGHYZFV-QWHCGFSZSA-N 0 3 245.322 3.090 20 0 BGADHN CC[C@H]1C[C@H](NCc2cc3ccccc3o2)CO1 ZINC000657312926 411460077 /nfs/dbraw/zinc/46/00/77/411460077.db2.gz MFHXNEZOGHYZFV-STQMWFEESA-N 0 3 245.322 3.090 20 0 BGADHN CCOCCNCc1cc2cccc(CC)c2o1 ZINC000657313329 411460829 /nfs/dbraw/zinc/46/08/29/411460829.db2.gz JGDPHUNWADJZSG-UHFFFAOYSA-N 0 3 247.338 3.121 20 0 BGADHN CC[C@@H]1C[C@H](N[C@@H](C)c2ccc(C)cc2)CO1 ZINC000657316997 411462912 /nfs/dbraw/zinc/46/29/12/411462912.db2.gz YBBLMKRKYNMGDE-AEGPPILISA-N 0 3 233.355 3.213 20 0 BGADHN CC[C@@H]1C[C@@H](N[C@H](C)c2ccc(C)cc2)CO1 ZINC000657316998 411462778 /nfs/dbraw/zinc/46/27/78/411462778.db2.gz YBBLMKRKYNMGDE-BPLDGKMQSA-N 0 3 233.355 3.213 20 0 BGADHN CC[C@@H]1C[C@@H](N[C@@H](C)c2ccc(C)cc2)CO1 ZINC000657316999 411463000 /nfs/dbraw/zinc/46/30/00/411463000.db2.gz YBBLMKRKYNMGDE-NWANDNLSSA-N 0 3 233.355 3.213 20 0 BGADHN CC[C@@H]1C[C@H](N[C@H](C)c2ccc(C)cc2)CO1 ZINC000657317000 411462986 /nfs/dbraw/zinc/46/29/86/411462986.db2.gz YBBLMKRKYNMGDE-VHDGCEQUSA-N 0 3 233.355 3.213 20 0 BGADHN CC1(C)C[C@H]1NCc1cccc(OC2CC2)c1F ZINC000657325281 411464902 /nfs/dbraw/zinc/46/49/02/411464902.db2.gz CQYLDZWVARNYAC-CYBMUJFWSA-N 0 3 249.329 3.255 20 0 BGADHN CC1(C)C[C@@H]1NCc1cccc(OC2CC2)c1F ZINC000657325283 411464655 /nfs/dbraw/zinc/46/46/55/411464655.db2.gz CQYLDZWVARNYAC-ZDUSSCGKSA-N 0 3 249.329 3.255 20 0 BGADHN CC(C)(C)CNCc1ccc(F)c(F)c1F ZINC000657327925 411465991 /nfs/dbraw/zinc/46/59/91/411465991.db2.gz NGKLXPGMMWIAKI-UHFFFAOYSA-N 0 3 231.261 3.240 20 0 BGADHN CC(C)n1ccnc1CNC[C@H]1CCC[C@H](C)C1 ZINC000657328001 411466463 /nfs/dbraw/zinc/46/64/63/411466463.db2.gz PYTBSJRONJWJNM-KBPBESRZSA-N 0 3 249.402 3.380 20 0 BGADHN CC(C)n1ccnc1CNC[C@H]1CCC[C@@H](C)C1 ZINC000657328002 411465977 /nfs/dbraw/zinc/46/59/77/411465977.db2.gz PYTBSJRONJWJNM-KGLIPLIRSA-N 0 3 249.402 3.380 20 0 BGADHN CC(C)n1ccnc1CNC[C@@H]1CCC[C@H](C)C1 ZINC000657328003 411465852 /nfs/dbraw/zinc/46/58/52/411465852.db2.gz PYTBSJRONJWJNM-UONOGXRCSA-N 0 3 249.402 3.380 20 0 BGADHN CC(C)n1ccnc1CNC[C@@H]1CCC[C@@H](C)C1 ZINC000657328004 411466143 /nfs/dbraw/zinc/46/61/43/411466143.db2.gz PYTBSJRONJWJNM-ZIAGYGMSSA-N 0 3 249.402 3.380 20 0 BGADHN CC[C@H]1C[C@@H](NCc2ccc(C(C)C)cc2)CO1 ZINC000657328032 411466489 /nfs/dbraw/zinc/46/64/89/411466489.db2.gz PLGKHMORSDMKES-CVEARBPZSA-N 0 3 247.382 3.467 20 0 BGADHN CC[C@H]1C[C@H](NCc2ccc(C(C)C)cc2)CO1 ZINC000657328033 411466162 /nfs/dbraw/zinc/46/61/62/411466162.db2.gz PLGKHMORSDMKES-HOTGVXAUSA-N 0 3 247.382 3.467 20 0 BGADHN CC[C@@H]1C[C@@H](NCc2ccc(C(C)C)cc2)CO1 ZINC000657328034 411466241 /nfs/dbraw/zinc/46/62/41/411466241.db2.gz PLGKHMORSDMKES-HZPDHXFCSA-N 0 3 247.382 3.467 20 0 BGADHN CC[C@@H]1C[C@H](NCc2ccc(C(C)C)cc2)CO1 ZINC000657328035 411465877 /nfs/dbraw/zinc/46/58/77/411465877.db2.gz PLGKHMORSDMKES-JKSUJKDBSA-N 0 3 247.382 3.467 20 0 BGADHN CCCC1CCC(NCc2nc(C)c[nH]2)CC1 ZINC000657328486 411467293 /nfs/dbraw/zinc/46/72/93/411467293.db2.gz XFJPKAGVSGFMPA-UHFFFAOYSA-N 0 3 235.375 3.167 20 0 BGADHN CC(C)n1ccnc1CNCC1CCC(C)CC1 ZINC000657328531 411467030 /nfs/dbraw/zinc/46/70/30/411467030.db2.gz YPKUCXCOKHYEKQ-UHFFFAOYSA-N 0 3 249.402 3.380 20 0 BGADHN C[C@H](CNCc1ccc(F)c(F)c1F)C1CC1 ZINC000657329555 411467164 /nfs/dbraw/zinc/46/71/64/411467164.db2.gz OHIBZJDYUKDLGY-MRVPVSSYSA-N 0 3 243.272 3.240 20 0 BGADHN C[C@@H](CNCc1ccc(F)c(F)c1F)C1CC1 ZINC000657329556 411467465 /nfs/dbraw/zinc/46/74/65/411467465.db2.gz OHIBZJDYUKDLGY-QMMMGPOBSA-N 0 3 243.272 3.240 20 0 BGADHN Cc1cc(CNC2CCC(C3CCC3)CC2)no1 ZINC000657329863 411467701 /nfs/dbraw/zinc/46/77/01/411467701.db2.gz OVJWHRIEIATRJQ-UHFFFAOYSA-N 0 3 248.370 3.432 20 0 BGADHN CC(C)n1ccnc1CNC[C@@H]1CCCC[C@@H]1C ZINC000657329947 411467243 /nfs/dbraw/zinc/46/72/43/411467243.db2.gz YBDJGMWMBBPXCZ-KBPBESRZSA-N 0 3 249.402 3.380 20 0 BGADHN CC(C)n1ccnc1CNC[C@@H]1CCCC[C@H]1C ZINC000657329950 411467656 /nfs/dbraw/zinc/46/76/56/411467656.db2.gz YBDJGMWMBBPXCZ-KGLIPLIRSA-N 0 3 249.402 3.380 20 0 BGADHN CC(C)n1ccnc1CNC[C@H]1CCCC[C@@H]1C ZINC000657329953 411467131 /nfs/dbraw/zinc/46/71/31/411467131.db2.gz YBDJGMWMBBPXCZ-UONOGXRCSA-N 0 3 249.402 3.380 20 0 BGADHN CC(C)n1ccnc1CNC[C@H]1CCCC[C@H]1C ZINC000657329956 411467278 /nfs/dbraw/zinc/46/72/78/411467278.db2.gz YBDJGMWMBBPXCZ-ZIAGYGMSSA-N 0 3 249.402 3.380 20 0 BGADHN Fc1c(CNCC2CCC2)cccc1OC1CC1 ZINC000657331781 411468237 /nfs/dbraw/zinc/46/82/37/411468237.db2.gz PGLIJDPKDINYRW-UHFFFAOYSA-N 0 3 249.329 3.257 20 0 BGADHN Cc1c[nH]c(CNC[C@@H](C)C2CCCCC2)n1 ZINC000657333071 411463474 /nfs/dbraw/zinc/46/34/74/411463474.db2.gz YBUSTNMXUXHUDY-LLVKDONJSA-N 0 3 235.375 3.024 20 0 BGADHN Cc1c[nH]c(CNC[C@H](C)C2CCCCC2)n1 ZINC000657333072 411464041 /nfs/dbraw/zinc/46/40/41/411464041.db2.gz YBUSTNMXUXHUDY-NSHDSACASA-N 0 3 235.375 3.024 20 0 BGADHN CC[C@H]1C[C@@H](NC2(c3ccccc3)CCC2)CO1 ZINC000657337602 411471802 /nfs/dbraw/zinc/47/18/02/411471802.db2.gz AXXHNNLFDXAAMC-CABCVRRESA-N 0 3 245.366 3.223 20 0 BGADHN CC[C@H]1C[C@H](NC2(c3ccccc3)CCC2)CO1 ZINC000657337603 411472217 /nfs/dbraw/zinc/47/22/17/411472217.db2.gz AXXHNNLFDXAAMC-GJZGRUSLSA-N 0 3 245.366 3.223 20 0 BGADHN CC[C@@H]1C[C@@H](NC2(c3ccccc3)CCC2)CO1 ZINC000657337604 411471382 /nfs/dbraw/zinc/47/13/82/411471382.db2.gz AXXHNNLFDXAAMC-HUUCEWRRSA-N 0 3 245.366 3.223 20 0 BGADHN CC[C@@H]1C[C@H](NC2(c3ccccc3)CCC2)CO1 ZINC000657337605 411472196 /nfs/dbraw/zinc/47/21/96/411472196.db2.gz AXXHNNLFDXAAMC-LSDHHAIUSA-N 0 3 245.366 3.223 20 0 BGADHN Cc1c[nH]c(CNCC[C@@H](C)c2ccccc2)n1 ZINC000657338545 411472940 /nfs/dbraw/zinc/47/29/40/411472940.db2.gz AVBALJQSYBMCTB-GFCCVEGCSA-N 0 3 243.354 3.002 20 0 BGADHN Cc1c[nH]c(CNCC[C@H](C)c2ccccc2)n1 ZINC000657338546 411473149 /nfs/dbraw/zinc/47/31/49/411473149.db2.gz AVBALJQSYBMCTB-LBPRGKRZSA-N 0 3 243.354 3.002 20 0 BGADHN CCC(C)(C)NCc1ccc(F)c(F)c1F ZINC000657339015 411473396 /nfs/dbraw/zinc/47/33/96/411473396.db2.gz JIDZDKZUFZTYPH-UHFFFAOYSA-N 0 3 231.261 3.382 20 0 BGADHN CC[C@H](NCc1nc(C)c(C)[nH]1)C1CCCCC1 ZINC000657342390 411469835 /nfs/dbraw/zinc/46/98/35/411469835.db2.gz XIGRFZRYGZGZJU-AWEZNQCLSA-N 0 3 249.402 3.475 20 0 BGADHN CC[C@@H](NCc1nc(C)c(C)[nH]1)C1CCCCC1 ZINC000657342391 411469794 /nfs/dbraw/zinc/46/97/94/411469794.db2.gz XIGRFZRYGZGZJU-CQSZACIVSA-N 0 3 249.402 3.475 20 0 BGADHN CC[C@@H](NCc1nc(C)c[nH]1)C1CCCCC1 ZINC000657342397 411469665 /nfs/dbraw/zinc/46/96/65/411469665.db2.gz XIUBBHRAGHGVMV-CYBMUJFWSA-N 0 3 235.375 3.167 20 0 BGADHN CC[C@H](NCc1nc(C)c[nH]1)C1CCCCC1 ZINC000657342398 411469307 /nfs/dbraw/zinc/46/93/07/411469307.db2.gz XIUBBHRAGHGVMV-ZDUSSCGKSA-N 0 3 235.375 3.167 20 0 BGADHN CCC[C@@H]1CCCC[C@H]1NCc1nc(C)c[nH]1 ZINC000657344661 411471042 /nfs/dbraw/zinc/47/10/42/411471042.db2.gz ANQWCIXYFHEXJG-CHWSQXEVSA-N 0 3 235.375 3.167 20 0 BGADHN CCC[C@@H]1CCCC[C@@H]1NCc1nc(C)c[nH]1 ZINC000657344663 411470360 /nfs/dbraw/zinc/47/03/60/411470360.db2.gz ANQWCIXYFHEXJG-OLZOCXBDSA-N 0 3 235.375 3.167 20 0 BGADHN CCC[C@H]1CCCC[C@H]1NCc1nc(C)c[nH]1 ZINC000657344664 411471198 /nfs/dbraw/zinc/47/11/98/411471198.db2.gz ANQWCIXYFHEXJG-QWHCGFSZSA-N 0 3 235.375 3.167 20 0 BGADHN CCC[C@H]1CCCC[C@@H]1NCc1nc(C)c[nH]1 ZINC000657344666 411471202 /nfs/dbraw/zinc/47/12/02/411471202.db2.gz ANQWCIXYFHEXJG-STQMWFEESA-N 0 3 235.375 3.167 20 0 BGADHN CC(C)n1ccnc1CNC1(C)CCCCC1 ZINC000657344776 411471057 /nfs/dbraw/zinc/47/10/57/411471057.db2.gz CQNLVZAYDPICOF-UHFFFAOYSA-N 0 3 235.375 3.276 20 0 BGADHN CCCC[C@@H]1CCC[C@H]1NCc1nc(C)c[nH]1 ZINC000657345014 411470185 /nfs/dbraw/zinc/47/01/85/411470185.db2.gz HFILGGUHTMETRC-CHWSQXEVSA-N 0 3 235.375 3.167 20 0 BGADHN CCCC[C@@H]1CCC[C@@H]1NCc1nc(C)c[nH]1 ZINC000657345015 411470748 /nfs/dbraw/zinc/47/07/48/411470748.db2.gz HFILGGUHTMETRC-OLZOCXBDSA-N 0 3 235.375 3.167 20 0 BGADHN CCCC[C@H]1CCC[C@H]1NCc1nc(C)c[nH]1 ZINC000657345016 411470452 /nfs/dbraw/zinc/47/04/52/411470452.db2.gz HFILGGUHTMETRC-QWHCGFSZSA-N 0 3 235.375 3.167 20 0 BGADHN CCCC[C@H]1CCC[C@@H]1NCc1nc(C)c[nH]1 ZINC000657345017 411470299 /nfs/dbraw/zinc/47/02/99/411470299.db2.gz HFILGGUHTMETRC-STQMWFEESA-N 0 3 235.375 3.167 20 0 BGADHN Cc1c[nH]c(CN[C@H]2CCC[C@H]2CCC(C)C)n1 ZINC000657346110 411471095 /nfs/dbraw/zinc/47/10/95/411471095.db2.gz XSDXFUAMOZZZBZ-KBPBESRZSA-N 0 3 249.402 3.413 20 0 BGADHN Cc1c[nH]c(CN[C@H]2CCC[C@@H]2CCC(C)C)n1 ZINC000657346111 411470970 /nfs/dbraw/zinc/47/09/70/411470970.db2.gz XSDXFUAMOZZZBZ-KGLIPLIRSA-N 0 3 249.402 3.413 20 0 BGADHN Cc1c[nH]c(CN[C@@H]2CCC[C@H]2CCC(C)C)n1 ZINC000657346114 411470282 /nfs/dbraw/zinc/47/02/82/411470282.db2.gz XSDXFUAMOZZZBZ-UONOGXRCSA-N 0 3 249.402 3.413 20 0 BGADHN Cc1c[nH]c(CN[C@@H]2CCC[C@@H]2CCC(C)C)n1 ZINC000657346116 411470406 /nfs/dbraw/zinc/47/04/06/411470406.db2.gz XSDXFUAMOZZZBZ-ZIAGYGMSSA-N 0 3 249.402 3.413 20 0 BGADHN CCC[C@H](N[C@@H]1CO[C@H](CC)C1)c1ccccn1 ZINC000657346128 411470735 /nfs/dbraw/zinc/47/07/35/411470735.db2.gz DGLHFNLWVKYKSK-GUTXKFCHSA-N 0 3 248.370 3.080 20 0 BGADHN CCC[C@H](N[C@H]1CO[C@@H](CC)C1)c1ccccn1 ZINC000657346129 411470575 /nfs/dbraw/zinc/47/05/75/411470575.db2.gz DGLHFNLWVKYKSK-IPYPFGDCSA-N 0 3 248.370 3.080 20 0 BGADHN CCC[C@H](N[C@H]1CO[C@H](CC)C1)c1ccccn1 ZINC000657346131 411470822 /nfs/dbraw/zinc/47/08/22/411470822.db2.gz DGLHFNLWVKYKSK-NFAWXSAZSA-N 0 3 248.370 3.080 20 0 BGADHN CCC[C@H](N[C@@H]1CO[C@@H](CC)C1)c1ccccn1 ZINC000657346133 411470567 /nfs/dbraw/zinc/47/05/67/411470567.db2.gz DGLHFNLWVKYKSK-YDHLFZDLSA-N 0 3 248.370 3.080 20 0 BGADHN Cc1c[nH]c(CNCCCCC(C)(C)C)n1 ZINC000657346689 411470994 /nfs/dbraw/zinc/47/09/94/411470994.db2.gz MJHVAHCZKMWIFP-UHFFFAOYSA-N 0 3 223.364 3.024 20 0 BGADHN Cc1nc(CNCCCCC(C)(C)C)[nH]c1C ZINC000657346795 411470189 /nfs/dbraw/zinc/47/01/89/411470189.db2.gz OICIIPLUCSWYRH-UHFFFAOYSA-N 0 3 237.391 3.333 20 0 BGADHN CC(C)(C)CCCCNCc1cc2n(n1)CCC2 ZINC000657347159 411471768 /nfs/dbraw/zinc/47/17/68/411471768.db2.gz VHXYTGHYBOFZEQ-UHFFFAOYSA-N 0 3 249.402 3.135 20 0 BGADHN CCC1CCC(CNCc2nc(C)c[nH]2)CC1 ZINC000657347442 411474022 /nfs/dbraw/zinc/47/40/22/411474022.db2.gz ROJVGAMCBRFZDD-UHFFFAOYSA-N 0 3 235.375 3.024 20 0 BGADHN Cc1cc(CNC2CCC(C3CCC3)CC2)on1 ZINC000657348416 411475346 /nfs/dbraw/zinc/47/53/46/411475346.db2.gz VHAZXUHRXIJBGY-UHFFFAOYSA-N 0 3 248.370 3.432 20 0 BGADHN CCC[C@@H](CC)NCc1nccn1C(C)C ZINC000657348865 488115744 /nfs/dbraw/zinc/11/57/44/488115744.db2.gz KHYVPJVZHMWATF-GFCCVEGCSA-N 0 3 223.364 3.132 20 0 BGADHN CCC[C@H](CC)NCc1nccn1C(C)C ZINC000657348866 488115952 /nfs/dbraw/zinc/11/59/52/488115952.db2.gz KHYVPJVZHMWATF-LBPRGKRZSA-N 0 3 223.364 3.132 20 0 BGADHN C[C@H]1CCC[C@H]1NCc1ccc(F)c(F)c1F ZINC000657350529 411475821 /nfs/dbraw/zinc/47/58/21/411475821.db2.gz DYBQSCSIMJATDL-GZMMTYOYSA-N 0 3 243.272 3.382 20 0 BGADHN C[C@@H]1CCC[C@@H]1NCc1ccc(F)c(F)c1F ZINC000657350532 411475785 /nfs/dbraw/zinc/47/57/85/411475785.db2.gz DYBQSCSIMJATDL-KCJUWKMLSA-N 0 3 243.272 3.382 20 0 BGADHN C[C@H]1CCC[C@@H]1NCc1ccc(F)c(F)c1F ZINC000657350534 411476401 /nfs/dbraw/zinc/47/64/01/411476401.db2.gz DYBQSCSIMJATDL-KWQFWETISA-N 0 3 243.272 3.382 20 0 BGADHN C[C@@H]1CCC[C@H]1NCc1ccc(F)c(F)c1F ZINC000657350535 411476450 /nfs/dbraw/zinc/47/64/50/411476450.db2.gz DYBQSCSIMJATDL-LDYMZIIASA-N 0 3 243.272 3.382 20 0 BGADHN Cc1c[nH]c(CN[C@@H]2CCCC[C@@H]2C(C)C)n1 ZINC000657351918 411475564 /nfs/dbraw/zinc/47/55/64/411475564.db2.gz HYFBLSOSCCKOHS-CHWSQXEVSA-N 0 3 235.375 3.023 20 0 BGADHN Cc1c[nH]c(CN[C@H]2CCCC[C@@H]2C(C)C)n1 ZINC000657351920 411475749 /nfs/dbraw/zinc/47/57/49/411475749.db2.gz HYFBLSOSCCKOHS-OLZOCXBDSA-N 0 3 235.375 3.023 20 0 BGADHN Cc1c[nH]c(CN[C@@H]2CCCC[C@H]2C(C)C)n1 ZINC000657351922 411475899 /nfs/dbraw/zinc/47/58/99/411475899.db2.gz HYFBLSOSCCKOHS-QWHCGFSZSA-N 0 3 235.375 3.023 20 0 BGADHN Cc1c[nH]c(CN[C@H]2CCCC[C@H]2C(C)C)n1 ZINC000657351924 411476133 /nfs/dbraw/zinc/47/61/33/411476133.db2.gz HYFBLSOSCCKOHS-STQMWFEESA-N 0 3 235.375 3.023 20 0 BGADHN Cc1c[nH]c(CNC(CC(C)C)CC(C)C)n1 ZINC000657353409 411474092 /nfs/dbraw/zinc/47/40/92/411474092.db2.gz MMIRGRVETFSNAW-UHFFFAOYSA-N 0 3 237.391 3.269 20 0 BGADHN Cc1c[nH]c(CN[C@@H]2CCC[C@@H](C(C)C)C2)n1 ZINC000657355101 488115854 /nfs/dbraw/zinc/11/58/54/488115854.db2.gz ZZHXYVOTFIDHAE-CHWSQXEVSA-N 0 3 235.375 3.023 20 0 BGADHN Cc1c[nH]c(CN[C@H]2CCC[C@@H](C(C)C)C2)n1 ZINC000657355103 488115828 /nfs/dbraw/zinc/11/58/28/488115828.db2.gz ZZHXYVOTFIDHAE-OLZOCXBDSA-N 0 3 235.375 3.023 20 0 BGADHN Cc1c[nH]c(CN[C@@H]2CCC[C@H](C(C)C)C2)n1 ZINC000657355104 488115796 /nfs/dbraw/zinc/11/57/96/488115796.db2.gz ZZHXYVOTFIDHAE-QWHCGFSZSA-N 0 3 235.375 3.023 20 0 BGADHN Cc1c[nH]c(CN[C@H]2CCC[C@H](C(C)C)C2)n1 ZINC000657355105 488116030 /nfs/dbraw/zinc/11/60/30/488116030.db2.gz ZZHXYVOTFIDHAE-STQMWFEESA-N 0 3 235.375 3.023 20 0 BGADHN c1nc(CNC2CCC(C3CCC3)CC2)co1 ZINC000657355464 411478468 /nfs/dbraw/zinc/47/84/68/411478468.db2.gz PDYSLDYYVHOLHP-UHFFFAOYSA-N 0 3 234.343 3.123 20 0 BGADHN CC(C)n1ccnc1CN[C@H]1CC[C@H](C)CC1 ZINC000657355488 411478585 /nfs/dbraw/zinc/47/85/85/411478585.db2.gz QBNLFANLGKTTQO-JOCQHMNTSA-N 0 3 235.375 3.132 20 0 BGADHN CC(C)n1ccnc1CNCC1(C)CCCC1 ZINC000657358892 411476101 /nfs/dbraw/zinc/47/61/01/411476101.db2.gz PBYZNYIRLZMYGL-UHFFFAOYSA-N 0 3 235.375 3.134 20 0 BGADHN Cc1c[nH]c(CNCC[C@@H]2CCCC[C@@H]2C)n1 ZINC000657360854 411476762 /nfs/dbraw/zinc/47/67/62/411476762.db2.gz AMMWEOKNBKWSAG-AAEUAGOBSA-N 0 3 235.375 3.024 20 0 BGADHN Cc1c[nH]c(CNCC[C@H]2CCCC[C@H]2C)n1 ZINC000657360855 411477376 /nfs/dbraw/zinc/47/73/76/411477376.db2.gz AMMWEOKNBKWSAG-DGCLKSJQSA-N 0 3 235.375 3.024 20 0 BGADHN Cc1c[nH]c(CNCC[C@H]2CCCC[C@@H]2C)n1 ZINC000657360856 411477483 /nfs/dbraw/zinc/47/74/83/411477483.db2.gz AMMWEOKNBKWSAG-WCQYABFASA-N 0 3 235.375 3.024 20 0 BGADHN Cc1c[nH]c(CNCC[C@@H]2CCCC[C@H]2C)n1 ZINC000657360857 411477231 /nfs/dbraw/zinc/47/72/31/411477231.db2.gz AMMWEOKNBKWSAG-YPMHNXCESA-N 0 3 235.375 3.024 20 0 BGADHN Cc1c[nH]c(CN[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)n1 ZINC000657360989 411476928 /nfs/dbraw/zinc/47/69/28/411476928.db2.gz XKMAENZZSWDLLK-FPMFFAJLSA-N 0 3 249.402 3.269 20 0 BGADHN Cc1c[nH]c(CN[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)n1 ZINC000657360990 411476778 /nfs/dbraw/zinc/47/67/78/411476778.db2.gz XKMAENZZSWDLLK-IACUBPJLSA-N 0 3 249.402 3.269 20 0 BGADHN Cc1c[nH]c(CN[C@@H]2C[C@H](C)CC[C@H]2C(C)C)n1 ZINC000657360991 411477291 /nfs/dbraw/zinc/47/72/91/411477291.db2.gz XKMAENZZSWDLLK-KWCYVHTRSA-N 0 3 249.402 3.269 20 0 BGADHN Cc1c[nH]c(CN[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)n1 ZINC000657360992 411476975 /nfs/dbraw/zinc/47/69/75/411476975.db2.gz XKMAENZZSWDLLK-MRVWCRGKSA-N 0 3 249.402 3.269 20 0 BGADHN CC[C@@H]1C[C@@H](NCc2coc3ccccc23)CO1 ZINC000657361659 411477971 /nfs/dbraw/zinc/47/79/71/411477971.db2.gz PLCCUPOZJPWJMU-CHWSQXEVSA-N 0 3 245.322 3.090 20 0 BGADHN CC[C@H]1C[C@@H](NCc2coc3ccccc23)CO1 ZINC000657361660 411478318 /nfs/dbraw/zinc/47/83/18/411478318.db2.gz PLCCUPOZJPWJMU-OLZOCXBDSA-N 0 3 245.322 3.090 20 0 BGADHN CC[C@@H]1C[C@H](NCc2coc3ccccc23)CO1 ZINC000657361661 411477758 /nfs/dbraw/zinc/47/77/58/411477758.db2.gz PLCCUPOZJPWJMU-QWHCGFSZSA-N 0 3 245.322 3.090 20 0 BGADHN CC[C@H]1C[C@H](NCc2coc3ccccc23)CO1 ZINC000657361662 411478311 /nfs/dbraw/zinc/47/83/11/411478311.db2.gz PLCCUPOZJPWJMU-STQMWFEESA-N 0 3 245.322 3.090 20 0 BGADHN Cc1c[nH]c(CNCC[C@@H]2CCC[C@H](C)C2)n1 ZINC000657364639 411481406 /nfs/dbraw/zinc/48/14/06/411481406.db2.gz XWNGWEBZNSVRPV-AAEUAGOBSA-N 0 3 235.375 3.024 20 0 BGADHN Cc1c[nH]c(CNCC[C@H]2CCC[C@@H](C)C2)n1 ZINC000657364640 411481783 /nfs/dbraw/zinc/48/17/83/411481783.db2.gz XWNGWEBZNSVRPV-DGCLKSJQSA-N 0 3 235.375 3.024 20 0 BGADHN Cc1c[nH]c(CNCC[C@H]2CCC[C@H](C)C2)n1 ZINC000657364641 411481617 /nfs/dbraw/zinc/48/16/17/411481617.db2.gz XWNGWEBZNSVRPV-WCQYABFASA-N 0 3 235.375 3.024 20 0 BGADHN Cc1c[nH]c(CNCC[C@@H]2CCC[C@@H](C)C2)n1 ZINC000657364642 411480984 /nfs/dbraw/zinc/48/09/84/411480984.db2.gz XWNGWEBZNSVRPV-YPMHNXCESA-N 0 3 235.375 3.024 20 0 BGADHN Fc1ccc(CNCCCC2CC2)c(F)c1F ZINC000657364736 411481674 /nfs/dbraw/zinc/48/16/74/411481674.db2.gz PLWHALIBNOAWID-UHFFFAOYSA-N 0 3 243.272 3.384 20 0 BGADHN C[C@H](CCC(C)(C)C)NCc1cc2n(n1)CCC2 ZINC000657366660 411479342 /nfs/dbraw/zinc/47/93/42/411479342.db2.gz JBHAQZMGBXVCTF-GFCCVEGCSA-N 0 3 249.402 3.134 20 0 BGADHN C[C@@H](CCC(C)(C)C)NCc1cc2n(n1)CCC2 ZINC000657366661 411479322 /nfs/dbraw/zinc/47/93/22/411479322.db2.gz JBHAQZMGBXVCTF-LBPRGKRZSA-N 0 3 249.402 3.134 20 0 BGADHN Cc1c[nH]c(CN[C@@H](C)CCC(C)(C)C)n1 ZINC000657366696 411479256 /nfs/dbraw/zinc/47/92/56/411479256.db2.gz JPVZIKOOUYPOPS-JTQLQIEISA-N 0 3 223.364 3.023 20 0 BGADHN Cc1c[nH]c(CN[C@H](C)CCC(C)(C)C)n1 ZINC000657366698 411479512 /nfs/dbraw/zinc/47/95/12/411479512.db2.gz JPVZIKOOUYPOPS-SNVBAGLBSA-N 0 3 223.364 3.023 20 0 BGADHN Fc1ccc(CN[C@H]2CC=CCC2)c(F)c1F ZINC000657367275 411479200 /nfs/dbraw/zinc/47/92/00/411479200.db2.gz NOMCHCFSQIWWQW-JTQLQIEISA-N 0 3 241.256 3.302 20 0 BGADHN Fc1ccc(CN[C@@H]2CC=CCC2)c(F)c1F ZINC000657367277 411479351 /nfs/dbraw/zinc/47/93/51/411479351.db2.gz NOMCHCFSQIWWQW-SNVBAGLBSA-N 0 3 241.256 3.302 20 0 BGADHN CC(C)n1ccnc1CNCCCC(C)(C)C ZINC000657369743 411483704 /nfs/dbraw/zinc/48/37/04/411483704.db2.gz DFRFLIPHYHLZLT-UHFFFAOYSA-N 0 3 237.391 3.380 20 0 BGADHN CC(C)(C)CCCNCc1ccnn1CC1CC1 ZINC000657370682 411483562 /nfs/dbraw/zinc/48/35/62/411483562.db2.gz OWVAVZWWGWPTSP-UHFFFAOYSA-N 0 3 249.402 3.209 20 0 BGADHN CC(C)n1ccnc1CNC1C[C@H](C)C[C@@H](C)C1 ZINC000657371751 411485029 /nfs/dbraw/zinc/48/50/29/411485029.db2.gz MHVHGIDUEUGAMT-CHWSQXEVSA-N 0 3 249.402 3.378 20 0 BGADHN CC(C)n1ccnc1CNC1C[C@@H](C)C[C@H](C)C1 ZINC000657371752 411485035 /nfs/dbraw/zinc/48/50/35/411485035.db2.gz MHVHGIDUEUGAMT-STQMWFEESA-N 0 3 249.402 3.378 20 0 BGADHN CC(C)n1ccnc1CN[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000657371753 411485219 /nfs/dbraw/zinc/48/52/19/411485219.db2.gz MHVHGIDUEUGAMT-WDNDVIMCSA-N 0 3 249.402 3.378 20 0 BGADHN CC(C)(NCc1ccc(F)c(F)c1F)C1CC1 ZINC000657377002 411486109 /nfs/dbraw/zinc/48/61/09/411486109.db2.gz WXEQNPHKAGPWAO-UHFFFAOYSA-N 0 3 243.272 3.382 20 0 BGADHN CC[C@@H](C)C[C@@H](C)NCc1nccn1C(C)C ZINC000657377619 411486286 /nfs/dbraw/zinc/48/62/86/411486286.db2.gz QKIGKOWSPLTWIJ-CHWSQXEVSA-N 0 3 237.391 3.378 20 0 BGADHN CC[C@@H](C)C[C@H](C)NCc1nccn1C(C)C ZINC000657377621 411485720 /nfs/dbraw/zinc/48/57/20/411485720.db2.gz QKIGKOWSPLTWIJ-OLZOCXBDSA-N 0 3 237.391 3.378 20 0 BGADHN CC[C@H](C)C[C@@H](C)NCc1nccn1C(C)C ZINC000657377622 411485603 /nfs/dbraw/zinc/48/56/03/411485603.db2.gz QKIGKOWSPLTWIJ-QWHCGFSZSA-N 0 3 237.391 3.378 20 0 BGADHN CC[C@H](C)C[C@H](C)NCc1nccn1C(C)C ZINC000657377625 411486435 /nfs/dbraw/zinc/48/64/35/411486435.db2.gz QKIGKOWSPLTWIJ-STQMWFEESA-N 0 3 237.391 3.378 20 0 BGADHN Fc1c(CNCCC2CC2)cccc1OC1CC1 ZINC000657378222 411487031 /nfs/dbraw/zinc/48/70/31/411487031.db2.gz ISGPNSDDACUOLS-UHFFFAOYSA-N 0 3 249.329 3.257 20 0 BGADHN Cc1c[nH]c(CNCCCCC2CCCC2)n1 ZINC000657381746 411488036 /nfs/dbraw/zinc/48/80/36/411488036.db2.gz RCCCXQHFUTZSSB-UHFFFAOYSA-N 0 3 235.375 3.168 20 0 BGADHN CC1CC(NCc2cccc(OC3CC3)c2F)C1 ZINC000657382811 411488145 /nfs/dbraw/zinc/48/81/45/411488145.db2.gz DXZPKVXMHQRHHV-UHFFFAOYSA-N 0 3 249.329 3.255 20 0 BGADHN c1cc(CNC2CCC(C3CCC3)CC2)no1 ZINC000657384308 411489534 /nfs/dbraw/zinc/48/95/34/411489534.db2.gz OLFLRBAXOQOYJG-UHFFFAOYSA-N 0 3 234.343 3.123 20 0 BGADHN CC1(CNCc2cccc(OC3CC3)c2F)CC1 ZINC000657386434 411488971 /nfs/dbraw/zinc/48/89/71/411488971.db2.gz BMDWHUDIKBPWNW-UHFFFAOYSA-N 0 3 249.329 3.257 20 0 BGADHN CCCC[C@@H](CCC)NCc1cc2n(n1)CCC2 ZINC000657386968 411489831 /nfs/dbraw/zinc/48/98/31/411489831.db2.gz PKUYKFMPNVYXMY-CYBMUJFWSA-N 0 3 249.402 3.278 20 0 BGADHN CCCC[C@H](CCC)NCc1cc2n(n1)CCC2 ZINC000657386969 411489885 /nfs/dbraw/zinc/48/98/85/411489885.db2.gz PKUYKFMPNVYXMY-ZDUSSCGKSA-N 0 3 249.402 3.278 20 0 BGADHN Cc1c[nH]c(CN[C@@H]2CCC(C)(C)C[C@@H]2C)n1 ZINC000657387208 411490185 /nfs/dbraw/zinc/49/01/85/411490185.db2.gz MKKFDQMVSCEQLS-CMPLNLGQSA-N 0 3 235.375 3.023 20 0 BGADHN Cc1c[nH]c(CN[C@H]2CCC(C)(C)C[C@@H]2C)n1 ZINC000657387209 411490386 /nfs/dbraw/zinc/49/03/86/411490386.db2.gz MKKFDQMVSCEQLS-JQWIXIFHSA-N 0 3 235.375 3.023 20 0 BGADHN Cc1c[nH]c(CN[C@H]2CCC(C)(C)C[C@H]2C)n1 ZINC000657387210 411490451 /nfs/dbraw/zinc/49/04/51/411490451.db2.gz MKKFDQMVSCEQLS-PWSUYJOCSA-N 0 3 235.375 3.023 20 0 BGADHN Cc1c[nH]c(CN[C@@H]2CCC(C)(C)C[C@H]2C)n1 ZINC000657387211 411490434 /nfs/dbraw/zinc/49/04/34/411490434.db2.gz MKKFDQMVSCEQLS-ZYHUDNBSSA-N 0 3 235.375 3.023 20 0 BGADHN CCCC[C@@H](CCC)NCc1nc(C)c[nH]1 ZINC000657387472 411489912 /nfs/dbraw/zinc/48/99/12/411489912.db2.gz VOJCMUNHGITGKI-GFCCVEGCSA-N 0 3 223.364 3.167 20 0 BGADHN CCCC[C@H](CCC)NCc1nc(C)c[nH]1 ZINC000657387473 411490395 /nfs/dbraw/zinc/49/03/95/411490395.db2.gz VOJCMUNHGITGKI-LBPRGKRZSA-N 0 3 223.364 3.167 20 0 BGADHN CCC1(CNCc2ccc(F)c(F)c2F)CC1 ZINC000657388314 411490397 /nfs/dbraw/zinc/49/03/97/411490397.db2.gz INPPGFMNGJONFN-UHFFFAOYSA-N 0 3 243.272 3.384 20 0 BGADHN CC1(CNCc2ccc(F)c(F)c2F)CCC1 ZINC000657389413 411491775 /nfs/dbraw/zinc/49/17/75/411491775.db2.gz UWEXLNRJLFOZQQ-UHFFFAOYSA-N 0 3 243.272 3.384 20 0 BGADHN CCCC[C@@H](CCC)CNCc1nc(C)c[nH]1 ZINC000657389553 411491144 /nfs/dbraw/zinc/49/11/44/411491144.db2.gz LJFZAKAFNVVSQJ-CYBMUJFWSA-N 0 3 237.391 3.414 20 0 BGADHN CCCC[C@H](CCC)CNCc1nc(C)c[nH]1 ZINC000657389554 411491158 /nfs/dbraw/zinc/49/11/58/411491158.db2.gz LJFZAKAFNVVSQJ-ZDUSSCGKSA-N 0 3 237.391 3.414 20 0 BGADHN CCC1(CNCc2nccn2C(C)C)CCC1 ZINC000657390659 411490678 /nfs/dbraw/zinc/49/06/78/411490678.db2.gz BOYWXXSJJSEXRD-UHFFFAOYSA-N 0 3 235.375 3.134 20 0 BGADHN Cc1nc(CNCC(C)(C)CC(C)C)[nH]c1C ZINC000657391773 411493158 /nfs/dbraw/zinc/49/31/58/411493158.db2.gz ZMXNPASPLAPDAJ-UHFFFAOYSA-N 0 3 237.391 3.188 20 0 BGADHN CC(C)CC1(CNCc2nccn2C(C)C)CC1 ZINC000657392799 411492586 /nfs/dbraw/zinc/49/25/86/411492586.db2.gz CQHYETICAMGREL-UHFFFAOYSA-N 0 3 249.402 3.380 20 0 BGADHN Cc1c[nH]c(CNCC2(CC(C)C)CCC2)n1 ZINC000657393290 411489905 /nfs/dbraw/zinc/48/99/05/411489905.db2.gz SWMJXAIPLKTNHR-UHFFFAOYSA-N 0 3 235.375 3.024 20 0 BGADHN CCC(CC)(CC)CNCc1cc2n(n1)CCC2 ZINC000657394784 411494307 /nfs/dbraw/zinc/49/43/07/411494307.db2.gz UNWDBZBXJBAOBV-UHFFFAOYSA-N 0 3 249.402 3.135 20 0 BGADHN CCC(CC)(CC)CNCc1nc(C)c[nH]1 ZINC000657394917 411493692 /nfs/dbraw/zinc/49/36/92/411493692.db2.gz VLSYQOBGJPKHKZ-UHFFFAOYSA-N 0 3 223.364 3.024 20 0 BGADHN Fc1c(CNC2CC=CC2)cccc1OC1CC1 ZINC000657396305 411494189 /nfs/dbraw/zinc/49/41/89/411494189.db2.gz QROZIALMHLTCNE-UHFFFAOYSA-N 0 3 247.313 3.175 20 0 BGADHN CCCC1(CNCc2nccn2C(C)C)CC1 ZINC000657396412 411494264 /nfs/dbraw/zinc/49/42/64/411494264.db2.gz SQOZYJNGBSTTQM-UHFFFAOYSA-N 0 3 235.375 3.134 20 0 BGADHN Cc1c[nH]c(CNCC2(CC(C)C)CCCC2)n1 ZINC000657396518 411493676 /nfs/dbraw/zinc/49/36/76/411493676.db2.gz KZYNWMPXKNQXSE-UHFFFAOYSA-N 0 3 249.402 3.414 20 0 BGADHN Fc1ccc(CNC2(C3CC3)CC2)c(F)c1F ZINC000657397575 411494146 /nfs/dbraw/zinc/49/41/46/411494146.db2.gz CSEGRXBJCLUJSL-UHFFFAOYSA-N 0 3 241.256 3.136 20 0 BGADHN CCc1cccc2cc(CNCCCF)oc21 ZINC000657399360 411494930 /nfs/dbraw/zinc/49/49/30/411494930.db2.gz IAYGRYCHERZSNI-UHFFFAOYSA-N 0 3 235.302 3.444 20 0 BGADHN Cc1c[nH]c(CNC2CCC(C(C)C)CC2)n1 ZINC000657399403 411495279 /nfs/dbraw/zinc/49/52/79/411495279.db2.gz UYFMWVPNSIIZJQ-UHFFFAOYSA-N 0 3 235.375 3.023 20 0 BGADHN Cc1c[nH]c(CNCC2CCC(C(C)C)CC2)n1 ZINC000657402245 411496112 /nfs/dbraw/zinc/49/61/12/411496112.db2.gz BVUIMKLHSRRTHX-UHFFFAOYSA-N 0 3 249.402 3.270 20 0 BGADHN CC(C)n1ccnc1CNCC1(C2CC2)CCC1 ZINC000657414194 411498928 /nfs/dbraw/zinc/49/89/28/411498928.db2.gz KAQXTVQBAVFMIG-UHFFFAOYSA-N 0 3 247.386 3.134 20 0 BGADHN c1cc(CN[C@H]2CCOC2)cc(C2CCCC2)c1 ZINC000657414759 411498678 /nfs/dbraw/zinc/49/86/78/411498678.db2.gz BJHMFSABWKBCAK-INIZCTEOSA-N 0 3 245.366 3.223 20 0 BGADHN c1cc(CN[C@@H]2CCOC2)cc(C2CCCC2)c1 ZINC000657414760 411498554 /nfs/dbraw/zinc/49/85/54/411498554.db2.gz BJHMFSABWKBCAK-MRXNPFEDSA-N 0 3 245.366 3.223 20 0 BGADHN CC(C)n1ccnc1CNCCC1=CCCC1 ZINC000657414922 411498169 /nfs/dbraw/zinc/49/81/69/411498169.db2.gz GMVWEXKZPOYZLK-UHFFFAOYSA-N 0 3 233.359 3.054 20 0 BGADHN Cc1c[nH]c(CNCC(C)(C)C2CCCC2)n1 ZINC000657415864 411499589 /nfs/dbraw/zinc/49/95/89/411499589.db2.gz OBLOZVVVIGSSKG-UHFFFAOYSA-N 0 3 235.375 3.024 20 0 BGADHN C[C@@H](NCc1ccc(F)c(F)c1F)C1CCC1 ZINC000657416347 411500292 /nfs/dbraw/zinc/50/02/92/411500292.db2.gz AYLCHCFAFFFOOE-MRVPVSSYSA-N 0 3 243.272 3.382 20 0 BGADHN C[C@H](NCc1ccc(F)c(F)c1F)C1CCC1 ZINC000657416349 411500323 /nfs/dbraw/zinc/50/03/23/411500323.db2.gz AYLCHCFAFFFOOE-QMMMGPOBSA-N 0 3 243.272 3.382 20 0 BGADHN CC1(NCc2ccc(F)c(F)c2F)CCC1 ZINC000657417027 411500871 /nfs/dbraw/zinc/50/08/71/411500871.db2.gz RWTVURAFGMPSFQ-UHFFFAOYSA-N 0 3 229.245 3.136 20 0 BGADHN CC1(NCc2cccc(OC3CC3)c2F)CCC1 ZINC000657417064 411500655 /nfs/dbraw/zinc/50/06/55/411500655.db2.gz SVQJCMCDRGRYMS-UHFFFAOYSA-N 0 3 249.329 3.399 20 0 BGADHN CC[C@H]1CCC[C@H](NCc2cc(C)ncn2)CC1 ZINC000657418820 411501834 /nfs/dbraw/zinc/50/18/34/411501834.db2.gz LWHLNDMGFXHZOQ-KBPBESRZSA-N 0 3 247.386 3.234 20 0 BGADHN CC[C@@H]1CCC[C@H](NCc2cc(C)ncn2)CC1 ZINC000657418821 411501802 /nfs/dbraw/zinc/50/18/02/411501802.db2.gz LWHLNDMGFXHZOQ-KGLIPLIRSA-N 0 3 247.386 3.234 20 0 BGADHN CC[C@H]1CCC[C@@H](NCc2cc(C)ncn2)CC1 ZINC000657418822 411502375 /nfs/dbraw/zinc/50/23/75/411502375.db2.gz LWHLNDMGFXHZOQ-UONOGXRCSA-N 0 3 247.386 3.234 20 0 BGADHN CC[C@@H]1CCC[C@@H](NCc2cc(C)ncn2)CC1 ZINC000657418823 411501961 /nfs/dbraw/zinc/50/19/61/411501961.db2.gz LWHLNDMGFXHZOQ-ZIAGYGMSSA-N 0 3 247.386 3.234 20 0 BGADHN Cc1cc(CN[C@@H]2CCCC(C)(C)CC2)ncn1 ZINC000657419172 411502365 /nfs/dbraw/zinc/50/23/65/411502365.db2.gz RIMHZWWFMRYRQA-CYBMUJFWSA-N 0 3 247.386 3.234 20 0 BGADHN Cc1cc(CN[C@H]2CCCC(C)(C)CC2)ncn1 ZINC000657419173 411502361 /nfs/dbraw/zinc/50/23/61/411502361.db2.gz RIMHZWWFMRYRQA-ZDUSSCGKSA-N 0 3 247.386 3.234 20 0 BGADHN CC(C)n1ccnc1CNCC12CCC(CC1)C2 ZINC000657419538 411503641 /nfs/dbraw/zinc/50/36/41/411503641.db2.gz VOIRMACQXZWMHY-UHFFFAOYSA-N 0 3 247.386 3.134 20 0 BGADHN Cc1c[nH]c(CNCC2CCC(C)(C)CC2)n1 ZINC000657419958 411501515 /nfs/dbraw/zinc/50/15/15/411501515.db2.gz SCGGVLQGHYXRNM-UHFFFAOYSA-N 0 3 235.375 3.024 20 0 BGADHN Cc1c[nH]c(CNCC(C)(C)C2CCCCC2)n1 ZINC000657421494 411502733 /nfs/dbraw/zinc/50/27/33/411502733.db2.gz HMLSQVWPZXOZMM-UHFFFAOYSA-N 0 3 249.402 3.414 20 0 BGADHN CC(C)n1ccnc1CN[C@@H]1CCC(C)(C)C1 ZINC000657424064 411505192 /nfs/dbraw/zinc/50/51/92/411505192.db2.gz RHMNGSUEGKZNJX-GFCCVEGCSA-N 0 3 235.375 3.132 20 0 BGADHN CC(C)n1ccnc1CN[C@H]1CCC(C)(C)C1 ZINC000657424065 411504933 /nfs/dbraw/zinc/50/49/33/411504933.db2.gz RHMNGSUEGKZNJX-LBPRGKRZSA-N 0 3 235.375 3.132 20 0 BGADHN Cc1c[nH]c(CNCC2(C)CCCCCC2)n1 ZINC000657428590 411507067 /nfs/dbraw/zinc/50/70/67/411507067.db2.gz MNOULNNKDMSFID-UHFFFAOYSA-N 0 3 235.375 3.168 20 0 BGADHN Cc1c[nH]c(CNC2CC(C)(C)CC(C)(C)C2)n1 ZINC000657429319 411507300 /nfs/dbraw/zinc/50/73/00/411507300.db2.gz QDEPHPKCNGTDGP-UHFFFAOYSA-N 0 3 249.402 3.413 20 0 BGADHN CCC1(CNCc2nc(C)c[nH]2)CCCCC1 ZINC000657433744 411506067 /nfs/dbraw/zinc/50/60/67/411506067.db2.gz ACDXCQHTJVCBOJ-UHFFFAOYSA-N 0 3 235.375 3.168 20 0 BGADHN Cc1c[nH]c(CNCCC2=CCCCCC2)n1 ZINC000657435225 411506913 /nfs/dbraw/zinc/50/69/13/411506913.db2.gz FKYWVHBCEMPHAL-UHFFFAOYSA-N 0 3 233.359 3.088 20 0 BGADHN CC[C@H]1C[C@@H](NCc2cccc(C(C)C)c2)CO1 ZINC000657435318 411507002 /nfs/dbraw/zinc/50/70/02/411507002.db2.gz ATLAMACYUFILNC-CVEARBPZSA-N 0 3 247.382 3.467 20 0 BGADHN CC[C@H]1C[C@H](NCc2cccc(C(C)C)c2)CO1 ZINC000657435319 411507431 /nfs/dbraw/zinc/50/74/31/411507431.db2.gz ATLAMACYUFILNC-HOTGVXAUSA-N 0 3 247.382 3.467 20 0 BGADHN CC[C@@H]1C[C@@H](NCc2cccc(C(C)C)c2)CO1 ZINC000657435320 411507306 /nfs/dbraw/zinc/50/73/06/411507306.db2.gz ATLAMACYUFILNC-HZPDHXFCSA-N 0 3 247.382 3.467 20 0 BGADHN CC[C@@H]1C[C@H](NCc2cccc(C(C)C)c2)CO1 ZINC000657435321 411507058 /nfs/dbraw/zinc/50/70/58/411507058.db2.gz ATLAMACYUFILNC-JKSUJKDBSA-N 0 3 247.382 3.467 20 0 BGADHN Cc1c[nH]c(CN[C@H]2CCC[C@H](C(C)C)CC2)n1 ZINC000657435934 411509005 /nfs/dbraw/zinc/50/90/05/411509005.db2.gz BIVMRVTVEVWKSR-KBPBESRZSA-N 0 3 249.402 3.413 20 0 BGADHN Cc1c[nH]c(CN[C@H]2CCC[C@@H](C(C)C)CC2)n1 ZINC000657435937 411509261 /nfs/dbraw/zinc/50/92/61/411509261.db2.gz BIVMRVTVEVWKSR-KGLIPLIRSA-N 0 3 249.402 3.413 20 0 BGADHN Cc1c[nH]c(CN[C@@H]2CCC[C@H](C(C)C)CC2)n1 ZINC000657435938 411509380 /nfs/dbraw/zinc/50/93/80/411509380.db2.gz BIVMRVTVEVWKSR-UONOGXRCSA-N 0 3 249.402 3.413 20 0 BGADHN Cc1c[nH]c(CN[C@@H]2CCC[C@@H](C(C)C)CC2)n1 ZINC000657435941 411509257 /nfs/dbraw/zinc/50/92/57/411509257.db2.gz BIVMRVTVEVWKSR-ZIAGYGMSSA-N 0 3 249.402 3.413 20 0 BGADHN Cc1c[nH]c(CNCC(C)(C)C2=CCCCC2)n1 ZINC000657436441 411509126 /nfs/dbraw/zinc/50/91/26/411509126.db2.gz LLPCCRLHWLYKDB-UHFFFAOYSA-N 0 3 247.386 3.334 20 0 BGADHN CC(C)n1ccnc1CN[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000657437148 411510402 /nfs/dbraw/zinc/51/04/02/411510402.db2.gz YWCNLRVRASZHQU-HZSPNIEDSA-N 0 3 249.402 3.378 20 0 BGADHN CC(C)n1ccnc1CN[C@H]1CC[C@@H](C)[C@H](C)C1 ZINC000657437149 411510292 /nfs/dbraw/zinc/51/02/92/411510292.db2.gz YWCNLRVRASZHQU-MCIONIFRSA-N 0 3 249.402 3.378 20 0 BGADHN CC(C)n1ccnc1CN[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000657437151 411509948 /nfs/dbraw/zinc/50/99/48/411509948.db2.gz YWCNLRVRASZHQU-MGPQQGTHSA-N 0 3 249.402 3.378 20 0 BGADHN CC(C)n1ccnc1CN[C@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000657437153 411509969 /nfs/dbraw/zinc/50/99/69/411509969.db2.gz YWCNLRVRASZHQU-RDBSUJKOSA-N 0 3 249.402 3.378 20 0 BGADHN CC(C)n1ccnc1CN[C@H](C)CCC1CC1 ZINC000657438839 411510785 /nfs/dbraw/zinc/51/07/85/411510785.db2.gz WIOJPPKUCVWBLA-GFCCVEGCSA-N 0 3 235.375 3.132 20 0 BGADHN CC(C)n1ccnc1CN[C@@H](C)CCC1CC1 ZINC000657438841 411510718 /nfs/dbraw/zinc/51/07/18/411510718.db2.gz WIOJPPKUCVWBLA-LBPRGKRZSA-N 0 3 235.375 3.132 20 0 BGADHN CC(C)n1ccnc1CNCC(C)(C)C(C)C ZINC000657441645 411511682 /nfs/dbraw/zinc/51/16/82/411511682.db2.gz DSYNANANZPOOSF-UHFFFAOYSA-N 0 3 237.391 3.236 20 0 BGADHN Cc1c[nH]c(CNCC[C@@H](C)CC(C)(C)C)n1 ZINC000657442677 411511344 /nfs/dbraw/zinc/51/13/44/411511344.db2.gz VEPPSEJFQWZNPO-LLVKDONJSA-N 0 3 237.391 3.270 20 0 BGADHN Cc1c[nH]c(CNCC[C@H](C)CC(C)(C)C)n1 ZINC000657442680 411511530 /nfs/dbraw/zinc/51/15/30/411511530.db2.gz VEPPSEJFQWZNPO-NSHDSACASA-N 0 3 237.391 3.270 20 0 BGADHN CCc1cccc2cc(CNC[C@@H](C)OC)oc21 ZINC000657445297 411512673 /nfs/dbraw/zinc/51/26/73/411512673.db2.gz FPFOTIQEMRGTBI-LLVKDONJSA-N 0 3 247.338 3.120 20 0 BGADHN CCc1cccc2cc(CNC[C@H](C)OC)oc21 ZINC000657445299 411512511 /nfs/dbraw/zinc/51/25/11/411512511.db2.gz FPFOTIQEMRGTBI-NSHDSACASA-N 0 3 247.338 3.120 20 0 BGADHN CC[C@H]1C[C@@H](NCc2ccc(C3CC3)cc2)CO1 ZINC000657446196 411512132 /nfs/dbraw/zinc/51/21/32/411512132.db2.gz BMSFYGPRATYIOC-CVEARBPZSA-N 0 3 245.366 3.221 20 0 BGADHN CC[C@H]1C[C@H](NCc2ccc(C3CC3)cc2)CO1 ZINC000657446198 411512943 /nfs/dbraw/zinc/51/29/43/411512943.db2.gz BMSFYGPRATYIOC-HOTGVXAUSA-N 0 3 245.366 3.221 20 0 BGADHN CC[C@@H]1C[C@@H](NCc2ccc(C3CC3)cc2)CO1 ZINC000657446201 411512427 /nfs/dbraw/zinc/51/24/27/411512427.db2.gz BMSFYGPRATYIOC-HZPDHXFCSA-N 0 3 245.366 3.221 20 0 BGADHN CC[C@@H]1C[C@H](NCc2ccc(C3CC3)cc2)CO1 ZINC000657446205 411512160 /nfs/dbraw/zinc/51/21/60/411512160.db2.gz BMSFYGPRATYIOC-JKSUJKDBSA-N 0 3 245.366 3.221 20 0 BGADHN CC(C)=CCCNCc1c(C2CCC2)cnn1C ZINC000657448532 411510098 /nfs/dbraw/zinc/51/00/98/411510098.db2.gz RFAVEIGDXKKGSO-UHFFFAOYSA-N 0 3 247.386 3.134 20 0 BGADHN CC(C)=CCNCc1cc2ccncc2s1 ZINC000657449125 411510734 /nfs/dbraw/zinc/51/07/34/411510734.db2.gz YVTRKDGAJZVSHV-UHFFFAOYSA-N 0 3 232.352 3.352 20 0 BGADHN CC(C)n1ccnc1CNC1CCC2(CC2)CC1 ZINC000657450697 411511654 /nfs/dbraw/zinc/51/16/54/411511654.db2.gz SKPJZIWUMHSCLE-UHFFFAOYSA-N 0 3 247.386 3.276 20 0 BGADHN Cc1c[nH]c(CN[C@H](C)CC2CCCCC2)n1 ZINC000657451035 411511246 /nfs/dbraw/zinc/51/12/46/411511246.db2.gz CPDFKUQJMQTZLA-LLVKDONJSA-N 0 3 235.375 3.167 20 0 BGADHN Cc1c[nH]c(CN[C@@H](C)CC2CCCCC2)n1 ZINC000657451036 411511678 /nfs/dbraw/zinc/51/16/78/411511678.db2.gz CPDFKUQJMQTZLA-NSHDSACASA-N 0 3 235.375 3.167 20 0 BGADHN CC1(CCNCc2ccc(F)c(F)c2F)CC1 ZINC000657452722 411515208 /nfs/dbraw/zinc/51/52/08/411515208.db2.gz IQDHGRCAFJWANX-UHFFFAOYSA-N 0 3 243.272 3.384 20 0 BGADHN Cc1c[nH]c(CNCC2(C)CCC(C)CC2)n1 ZINC000657456655 411517622 /nfs/dbraw/zinc/51/76/22/411517622.db2.gz IMVJJRDOGXNHKA-UHFFFAOYSA-N 0 3 235.375 3.024 20 0 BGADHN CC(C)n1ccnc1CNCC1C(C)(C)C1(C)C ZINC000657457351 411520805 /nfs/dbraw/zinc/52/08/05/411520805.db2.gz JSLYNASETCPXJQ-UHFFFAOYSA-N 0 3 249.402 3.236 20 0 BGADHN C[C@H]1CC[C@@H]1NCc1cccc(OC2CC2)c1F ZINC000657466051 411519874 /nfs/dbraw/zinc/51/98/74/411519874.db2.gz OZOSBZGUTUMKEI-GWCFXTLKSA-N 0 3 249.329 3.255 20 0 BGADHN C[C@H]1CC[C@H]1NCc1cccc(OC2CC2)c1F ZINC000657466052 411519974 /nfs/dbraw/zinc/51/99/74/411519974.db2.gz OZOSBZGUTUMKEI-GXFFZTMASA-N 0 3 249.329 3.255 20 0 BGADHN C[C@@H]1CC[C@@H]1NCc1cccc(OC2CC2)c1F ZINC000657466053 411519808 /nfs/dbraw/zinc/51/98/08/411519808.db2.gz OZOSBZGUTUMKEI-MFKMUULPSA-N 0 3 249.329 3.255 20 0 BGADHN C[C@@H]1CC[C@H]1NCc1cccc(OC2CC2)c1F ZINC000657466054 411519970 /nfs/dbraw/zinc/51/99/70/411519970.db2.gz OZOSBZGUTUMKEI-ZWNOBZJWSA-N 0 3 249.329 3.255 20 0 BGADHN Cc1nc(CNC(C2CCC2)C2CCC2)[nH]c1C ZINC000657466290 411519794 /nfs/dbraw/zinc/51/97/94/411519794.db2.gz UHJSVZFJZGENBB-UHFFFAOYSA-N 0 3 247.386 3.085 20 0 BGADHN CCCOc1ccc(CN[C@H](C)CF)c(C)c1 ZINC000657467064 411520490 /nfs/dbraw/zinc/52/04/90/411520490.db2.gz WAWVDRBVJXZOSN-GFCCVEGCSA-N 0 3 239.334 3.231 20 0 BGADHN CCCOc1ccc(CN[C@@H](C)CF)c(C)c1 ZINC000657467066 411520690 /nfs/dbraw/zinc/52/06/90/411520690.db2.gz WAWVDRBVJXZOSN-LBPRGKRZSA-N 0 3 239.334 3.231 20 0 BGADHN Cc1c[nH]c(CN[C@@H]2CCCCC23CCCC3)n1 ZINC000657473379 411523408 /nfs/dbraw/zinc/52/34/08/411523408.db2.gz ZTWLVLMMFJSXSM-CYBMUJFWSA-N 0 3 247.386 3.311 20 0 BGADHN Cc1c[nH]c(CN[C@H]2CCCCC23CCCC3)n1 ZINC000657473380 411523096 /nfs/dbraw/zinc/52/30/96/411523096.db2.gz ZTWLVLMMFJSXSM-ZDUSSCGKSA-N 0 3 247.386 3.311 20 0 BGADHN CC(C)n1ccnc1CNC(C)(C)C(C)(C)C ZINC000657473716 411524380 /nfs/dbraw/zinc/52/43/80/411524380.db2.gz PJQILEISUHJUBF-UHFFFAOYSA-N 0 3 237.391 3.378 20 0 BGADHN CC(C)C1(NCc2ccc(F)c(F)c2F)CC1 ZINC000657474979 411524413 /nfs/dbraw/zinc/52/44/13/411524413.db2.gz WUQONCGEUAYQAC-UHFFFAOYSA-N 0 3 243.272 3.382 20 0 BGADHN CC(C)n1ccnc1CNC1CC(C(C)(C)C)C1 ZINC000657475294 411524724 /nfs/dbraw/zinc/52/47/24/411524724.db2.gz NHRMUGMNMCUCNR-UHFFFAOYSA-N 0 3 249.402 3.378 20 0 BGADHN CCCn1nccc1CNC1CC(C(C)(C)C)C1 ZINC000657475442 411524625 /nfs/dbraw/zinc/52/46/25/411524625.db2.gz TZXBLVQDKRTWBZ-UHFFFAOYSA-N 0 3 249.402 3.207 20 0 BGADHN CC(C)n1ccnc1CNC[C@H]1CCCC1(C)C ZINC000657475630 411524894 /nfs/dbraw/zinc/52/48/94/411524894.db2.gz ATQDFTBKCMZADM-CYBMUJFWSA-N 0 3 249.402 3.380 20 0 BGADHN CC(C)n1ccnc1CNC[C@@H]1CCCC1(C)C ZINC000657475631 411525178 /nfs/dbraw/zinc/52/51/78/411525178.db2.gz ATQDFTBKCMZADM-ZDUSSCGKSA-N 0 3 249.402 3.380 20 0 BGADHN COCc1csc(CNCCC(C)(F)F)c1 ZINC000657476486 411524767 /nfs/dbraw/zinc/52/47/67/411524767.db2.gz IEAANAZIBCIYHZ-UHFFFAOYSA-N 0 3 249.326 3.029 20 0 BGADHN CC(C)n1ccnc1CNCCC(C)(C)C1CC1 ZINC000657476619 411524814 /nfs/dbraw/zinc/52/48/14/411524814.db2.gz RASIIQMLMJRTGC-UHFFFAOYSA-N 0 3 249.402 3.380 20 0 BGADHN CC[C@H]1CCC[C@H]1CNCc1nccn1C(C)C ZINC000657478328 411526227 /nfs/dbraw/zinc/52/62/27/411526227.db2.gz JQTGTPRVDUJLQR-KBPBESRZSA-N 0 3 249.402 3.380 20 0 BGADHN CC[C@@H]1CCC[C@H]1CNCc1nccn1C(C)C ZINC000657478329 411525850 /nfs/dbraw/zinc/52/58/50/411525850.db2.gz JQTGTPRVDUJLQR-KGLIPLIRSA-N 0 3 249.402 3.380 20 0 BGADHN CC[C@H]1CCC[C@@H]1CNCc1nccn1C(C)C ZINC000657478330 411525700 /nfs/dbraw/zinc/52/57/00/411525700.db2.gz JQTGTPRVDUJLQR-UONOGXRCSA-N 0 3 249.402 3.380 20 0 BGADHN CC[C@@H]1CCC[C@@H]1CNCc1nccn1C(C)C ZINC000657478331 411525814 /nfs/dbraw/zinc/52/58/14/411525814.db2.gz JQTGTPRVDUJLQR-ZIAGYGMSSA-N 0 3 249.402 3.380 20 0 BGADHN CCC1(NCc2cccc(OC3CC3)c2F)CC1 ZINC000657478396 411525727 /nfs/dbraw/zinc/52/57/27/411525727.db2.gz JHGFNLSUDLWZCG-UHFFFAOYSA-N 0 3 249.329 3.399 20 0 BGADHN CCC1(NCc2ccc(F)c(F)c2F)CC1 ZINC000657478403 411525674 /nfs/dbraw/zinc/52/56/74/411525674.db2.gz JOVHKPYSATWSDW-UHFFFAOYSA-N 0 3 229.245 3.136 20 0 BGADHN CC(C)=CCC[C@@H](C)NCc1cc2n(n1)CCC2 ZINC000657478644 411525603 /nfs/dbraw/zinc/52/56/03/411525603.db2.gz OHTMGEYEQXYYKH-CYBMUJFWSA-N 0 3 247.386 3.054 20 0 BGADHN CC(C)=CCC[C@H](C)NCc1cc2n(n1)CCC2 ZINC000657478645 411525888 /nfs/dbraw/zinc/52/58/88/411525888.db2.gz OHTMGEYEQXYYKH-ZDUSSCGKSA-N 0 3 247.386 3.054 20 0 BGADHN CC/C=C\CNCc1cc2ccncc2s1 ZINC000657478884 411525826 /nfs/dbraw/zinc/52/58/26/411525826.db2.gz GVGKQNCBCPGOMT-ARJAWSKDSA-N 0 3 232.352 3.352 20 0 BGADHN CC/C=C/CNCc1cc2ccncc2s1 ZINC000657478886 411526150 /nfs/dbraw/zinc/52/61/50/411526150.db2.gz GVGKQNCBCPGOMT-ONEGZZNKSA-N 0 3 232.352 3.352 20 0 BGADHN CCC[C@@H](NCc1nc(C)c[nH]1)C(C)(C)C ZINC000657479449 411527725 /nfs/dbraw/zinc/52/77/25/411527725.db2.gz KGAWFLKFOPPIOX-LLVKDONJSA-N 0 3 223.364 3.023 20 0 BGADHN CCC[C@H](NCc1nc(C)c[nH]1)C(C)(C)C ZINC000657479451 411527535 /nfs/dbraw/zinc/52/75/35/411527535.db2.gz KGAWFLKFOPPIOX-NSHDSACASA-N 0 3 223.364 3.023 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1CNCc1nc(C)c[nH]1 ZINC000657479981 411527606 /nfs/dbraw/zinc/52/76/06/411527606.db2.gz ZYHWEXPCZWYJBD-CHWSQXEVSA-N 0 3 235.375 3.024 20 0 BGADHN CC[C@@H]1CCCC[C@H]1CNCc1nc(C)c[nH]1 ZINC000657479984 411527940 /nfs/dbraw/zinc/52/79/40/411527940.db2.gz ZYHWEXPCZWYJBD-OLZOCXBDSA-N 0 3 235.375 3.024 20 0 BGADHN CC[C@H]1CCCC[C@@H]1CNCc1nc(C)c[nH]1 ZINC000657479986 411528256 /nfs/dbraw/zinc/52/82/56/411528256.db2.gz ZYHWEXPCZWYJBD-QWHCGFSZSA-N 0 3 235.375 3.024 20 0 BGADHN CC[C@H]1CCCC[C@H]1CNCc1nc(C)c[nH]1 ZINC000657479990 411527462 /nfs/dbraw/zinc/52/74/62/411527462.db2.gz ZYHWEXPCZWYJBD-STQMWFEESA-N 0 3 235.375 3.024 20 0 BGADHN CC[C@@H]1C[C@H]1CNCc1ccc(F)c(F)c1F ZINC000657481182 411526467 /nfs/dbraw/zinc/52/64/67/411526467.db2.gz KSQSKOBMPGKGDU-SCZZXKLOSA-N 0 3 243.272 3.240 20 0 BGADHN CC(C)n1ccnc1CNCC(C)(C)C1CCC1 ZINC000657481319 411526931 /nfs/dbraw/zinc/52/69/31/411526931.db2.gz NWUKNLLYSRWHRX-UHFFFAOYSA-N 0 3 249.402 3.380 20 0 BGADHN CC(C)n1ccnc1CNC(C)(C)C1CCC1 ZINC000657481724 411526670 /nfs/dbraw/zinc/52/66/70/411526670.db2.gz IDHCJHHNHBVAJD-UHFFFAOYSA-N 0 3 235.375 3.132 20 0 BGADHN Cc1c[nH]c(CNC[C@@H]2CCCC(C)(C)C2)n1 ZINC000657483882 411528565 /nfs/dbraw/zinc/52/85/65/411528565.db2.gz FIVCROCXNATEGY-GFCCVEGCSA-N 0 3 235.375 3.024 20 0 BGADHN Cc1c[nH]c(CNC[C@H]2CCCC(C)(C)C2)n1 ZINC000657483885 411528928 /nfs/dbraw/zinc/52/89/28/411528928.db2.gz FIVCROCXNATEGY-LBPRGKRZSA-N 0 3 235.375 3.024 20 0 BGADHN CCC1(NCc2cc3n(n2)CCC3)CCCCC1 ZINC000657484273 411529242 /nfs/dbraw/zinc/52/92/42/411529242.db2.gz XVJBQNJCUYZCDA-UHFFFAOYSA-N 0 3 247.386 3.032 20 0 BGADHN CCC[C@H]1CCCC[C@H]1CNCc1nc(C)c[nH]1 ZINC000657485435 411529924 /nfs/dbraw/zinc/52/99/24/411529924.db2.gz ZOJGQKUUTSWFLC-KBPBESRZSA-N 0 3 249.402 3.414 20 0 BGADHN CCC[C@@H]1CCCC[C@H]1CNCc1nc(C)c[nH]1 ZINC000657485436 411530125 /nfs/dbraw/zinc/53/01/25/411530125.db2.gz ZOJGQKUUTSWFLC-KGLIPLIRSA-N 0 3 249.402 3.414 20 0 BGADHN CCC[C@H]1CCCC[C@@H]1CNCc1nc(C)c[nH]1 ZINC000657485437 411530160 /nfs/dbraw/zinc/53/01/60/411530160.db2.gz ZOJGQKUUTSWFLC-UONOGXRCSA-N 0 3 249.402 3.414 20 0 BGADHN CCC[C@@H]1CCCC[C@@H]1CNCc1nc(C)c[nH]1 ZINC000657485438 411530420 /nfs/dbraw/zinc/53/04/20/411530420.db2.gz ZOJGQKUUTSWFLC-ZIAGYGMSSA-N 0 3 249.402 3.414 20 0 BGADHN CC(C)n1ccnc1CN[C@H](C1CC1)C1CCC1 ZINC000657486652 411531274 /nfs/dbraw/zinc/53/12/74/411531274.db2.gz AEWPMTQAMAGGAL-HNNXBMFYSA-N 0 3 247.386 3.132 20 0 BGADHN CC(C)n1ccnc1CN[C@@H](C1CC1)C1CCC1 ZINC000657486654 411531121 /nfs/dbraw/zinc/53/11/21/411531121.db2.gz AEWPMTQAMAGGAL-OAHLLOKOSA-N 0 3 247.386 3.132 20 0 BGADHN Cc1c[nH]c(CN[C@@H](C)[C@H]2CCC[C@H](C)C2)n1 ZINC000657487710 411531059 /nfs/dbraw/zinc/53/10/59/411531059.db2.gz XRLKIBQBISZLDV-DRZSPHRISA-N 0 3 235.375 3.023 20 0 BGADHN Cc1c[nH]c(CN[C@@H](C)[C@@H]2CCC[C@@H](C)C2)n1 ZINC000657487712 411531110 /nfs/dbraw/zinc/53/11/10/411531110.db2.gz XRLKIBQBISZLDV-KGYLQXTDSA-N 0 3 235.375 3.023 20 0 BGADHN Cc1c[nH]c(CN[C@@H](C)[C@@H]2CCC[C@H](C)C2)n1 ZINC000657487715 411530761 /nfs/dbraw/zinc/53/07/61/411530761.db2.gz XRLKIBQBISZLDV-WCFLWFBJSA-N 0 3 235.375 3.023 20 0 BGADHN Cc1c[nH]c(CN[C@@H](C)[C@H]2CCC[C@@H](C)C2)n1 ZINC000657487719 411530653 /nfs/dbraw/zinc/53/06/53/411530653.db2.gz XRLKIBQBISZLDV-WXHSDQCUSA-N 0 3 235.375 3.023 20 0 BGADHN CC(C)n1ccnc1CN[C@H](C)CC(C)(C)C ZINC000657487745 411530729 /nfs/dbraw/zinc/53/07/29/411530729.db2.gz MZKQAXANOZZDND-GFCCVEGCSA-N 0 3 237.391 3.378 20 0 BGADHN CC(C)n1ccnc1CN[C@@H](C)CC(C)(C)C ZINC000657487752 411530888 /nfs/dbraw/zinc/53/08/88/411530888.db2.gz MZKQAXANOZZDND-LBPRGKRZSA-N 0 3 237.391 3.378 20 0 BGADHN CCC[C@@H](NCc1nc(C)c[nH]1)C1CCCC1 ZINC000657489913 411532603 /nfs/dbraw/zinc/53/26/03/411532603.db2.gz BTAQACOOTUVSDA-CYBMUJFWSA-N 0 3 235.375 3.167 20 0 BGADHN CCC[C@H](NCc1nc(C)c[nH]1)C1CCCC1 ZINC000657489914 411533968 /nfs/dbraw/zinc/53/39/68/411533968.db2.gz BTAQACOOTUVSDA-ZDUSSCGKSA-N 0 3 235.375 3.167 20 0 BGADHN CC(C)n1ccnc1CN[C@@]1(C)CC=CCC1 ZINC000657490170 411533338 /nfs/dbraw/zinc/53/33/38/411533338.db2.gz HCLSZLJGSVBTSH-AWEZNQCLSA-N 0 3 233.359 3.052 20 0 BGADHN CC(C)n1ccnc1CN[C@]1(C)CC=CCC1 ZINC000657490171 411533696 /nfs/dbraw/zinc/53/36/96/411533696.db2.gz HCLSZLJGSVBTSH-CQSZACIVSA-N 0 3 233.359 3.052 20 0 BGADHN CC[C@H]1CCC[C@H](NCc2ccn(CC)n2)CC1 ZINC000657490868 411531741 /nfs/dbraw/zinc/53/17/41/411531741.db2.gz OKXYHPMDPILHQT-KBPBESRZSA-N 0 3 249.402 3.352 20 0 BGADHN CC[C@@H]1CCC[C@H](NCc2ccn(CC)n2)CC1 ZINC000657490870 411531776 /nfs/dbraw/zinc/53/17/76/411531776.db2.gz OKXYHPMDPILHQT-KGLIPLIRSA-N 0 3 249.402 3.352 20 0 BGADHN CC[C@H]1CCC[C@@H](NCc2ccn(CC)n2)CC1 ZINC000657490871 411532090 /nfs/dbraw/zinc/53/20/90/411532090.db2.gz OKXYHPMDPILHQT-UONOGXRCSA-N 0 3 249.402 3.352 20 0 BGADHN CC[C@@H]1CCC[C@@H](NCc2ccn(CC)n2)CC1 ZINC000657490873 411532046 /nfs/dbraw/zinc/53/20/46/411532046.db2.gz OKXYHPMDPILHQT-ZIAGYGMSSA-N 0 3 249.402 3.352 20 0 BGADHN Cc1ncc(CNC2CCC(C3CCC3)CC2)o1 ZINC000657492028 411532478 /nfs/dbraw/zinc/53/24/78/411532478.db2.gz PBUNAZZUQLVVAN-UHFFFAOYSA-N 0 3 248.370 3.432 20 0 BGADHN Cc1c[nH]c(CNCC2(C)CCC(C)(C)CC2)n1 ZINC000657492934 411534759 /nfs/dbraw/zinc/53/47/59/411534759.db2.gz PZPSHJCSCFJMHB-UHFFFAOYSA-N 0 3 249.402 3.414 20 0 BGADHN Fc1c(CN[C@@H]2CC23CC3)cccc1OC1CC1 ZINC000657496270 411535404 /nfs/dbraw/zinc/53/54/04/411535404.db2.gz QPXQYDQSPRYQTB-CYBMUJFWSA-N 0 3 247.313 3.009 20 0 BGADHN Fc1c(CN[C@H]2CC23CC3)cccc1OC1CC1 ZINC000657496271 411535383 /nfs/dbraw/zinc/53/53/83/411535383.db2.gz QPXQYDQSPRYQTB-ZDUSSCGKSA-N 0 3 247.313 3.009 20 0 BGADHN Cc1c[nH]c(CN[C@H]2CCC[C@H]2C(C)(C)C)n1 ZINC000657496785 411536620 /nfs/dbraw/zinc/53/66/20/411536620.db2.gz RIACGPWCPKREOW-NEPJUHHUSA-N 0 3 235.375 3.023 20 0 BGADHN Cc1c[nH]c(CN[C@@H]2CCC[C@@H]2C(C)(C)C)n1 ZINC000657496790 411536220 /nfs/dbraw/zinc/53/62/20/411536220.db2.gz RIACGPWCPKREOW-NWDGAFQWSA-N 0 3 235.375 3.023 20 0 BGADHN Cc1c[nH]c(CN[C@H]2CCC[C@@H]2C(C)(C)C)n1 ZINC000657496793 411536202 /nfs/dbraw/zinc/53/62/02/411536202.db2.gz RIACGPWCPKREOW-RYUDHWBXSA-N 0 3 235.375 3.023 20 0 BGADHN Cc1c[nH]c(CN[C@@H]2CCC[C@H]2C(C)(C)C)n1 ZINC000657496796 411536421 /nfs/dbraw/zinc/53/64/21/411536421.db2.gz RIACGPWCPKREOW-VXGBXAGGSA-N 0 3 235.375 3.023 20 0 BGADHN CC[C@H]1C[C@H](NC2(c3ccccc3C)CC2)CO1 ZINC000657498296 411537596 /nfs/dbraw/zinc/53/75/96/411537596.db2.gz QBDFVGNOENFYQA-KBPBESRZSA-N 0 3 245.366 3.141 20 0 BGADHN CC[C@H]1C[C@@H](NC2(c3ccccc3C)CC2)CO1 ZINC000657498297 411537636 /nfs/dbraw/zinc/53/76/36/411537636.db2.gz QBDFVGNOENFYQA-KGLIPLIRSA-N 0 3 245.366 3.141 20 0 BGADHN CC[C@@H]1C[C@H](NC2(c3ccccc3C)CC2)CO1 ZINC000657498298 411537321 /nfs/dbraw/zinc/53/73/21/411537321.db2.gz QBDFVGNOENFYQA-UONOGXRCSA-N 0 3 245.366 3.141 20 0 BGADHN CC[C@@H]1C[C@@H](NC2(c3ccccc3C)CC2)CO1 ZINC000657498299 411537117 /nfs/dbraw/zinc/53/71/17/411537117.db2.gz QBDFVGNOENFYQA-ZIAGYGMSSA-N 0 3 245.366 3.141 20 0 BGADHN Cc1c[nH]c(CN[C@H](C2CCC2)C2CCCC2)n1 ZINC000657499132 411536087 /nfs/dbraw/zinc/53/60/87/411536087.db2.gz VQVLISJUPBKXQN-HNNXBMFYSA-N 0 3 247.386 3.167 20 0 BGADHN Cc1c[nH]c(CN[C@@H](C2CCC2)C2CCCC2)n1 ZINC000657499133 411536126 /nfs/dbraw/zinc/53/61/26/411536126.db2.gz VQVLISJUPBKXQN-OAHLLOKOSA-N 0 3 247.386 3.167 20 0 BGADHN CCCn1nccc1CN[C@@H]1C[C@H]1CC(C)(C)C ZINC000657501087 411538267 /nfs/dbraw/zinc/53/82/67/411538267.db2.gz OPSHBKCUHXLCCH-GXTWGEPZSA-N 0 3 249.402 3.207 20 0 BGADHN Cc1c[nH]c(CN[C@@H](C)[C@@H]2CC3CCC2CC3)n1 ZINC000657503571 411539701 /nfs/dbraw/zinc/53/97/01/411539701.db2.gz NFWLCUJHLUXFQW-ABXWRUBCSA-N 0 3 247.386 3.023 20 0 BGADHN Cc1c[nH]c(CN[C@H](C)[C@H]2CC3CCC2CC3)n1 ZINC000657503572 411539657 /nfs/dbraw/zinc/53/96/57/411539657.db2.gz NFWLCUJHLUXFQW-BLYZHGLHSA-N 0 3 247.386 3.023 20 0 BGADHN Cc1c[nH]c(CN[C@@H](C)[C@H]2CC3CCC2CC3)n1 ZINC000657503573 411539060 /nfs/dbraw/zinc/53/90/60/411539060.db2.gz NFWLCUJHLUXFQW-GFJIZPEISA-N 0 3 247.386 3.023 20 0 BGADHN Cc1c[nH]c(CN[C@H](C)[C@@H]2CC3CCC2CC3)n1 ZINC000657503574 411539399 /nfs/dbraw/zinc/53/93/99/411539399.db2.gz NFWLCUJHLUXFQW-RYSNWHEDSA-N 0 3 247.386 3.023 20 0 BGADHN CC1(NCc2ccc(F)c(F)c2F)CC=CC1 ZINC000657505243 411539992 /nfs/dbraw/zinc/53/99/92/411539992.db2.gz NRGXLXNUKXBSEI-UHFFFAOYSA-N 0 3 241.256 3.302 20 0 BGADHN C/C(=C\c1ccccc1)CN[C@H]1COC(C)(C)C1 ZINC000657530204 411543715 /nfs/dbraw/zinc/54/37/15/411543715.db2.gz NQVTYEVJYXQLPV-BMQCOBNYSA-N 0 3 245.366 3.247 20 0 BGADHN C/C(=C/c1ccccc1)CN[C@@H]1COC(C)(C)C1 ZINC000657530206 411543999 /nfs/dbraw/zinc/54/39/99/411543999.db2.gz NQVTYEVJYXQLPV-CTXBLAANSA-N 0 3 245.366 3.247 20 0 BGADHN C/C(=C\c1ccccc1)CN[C@@H]1COC(C)(C)C1 ZINC000657530208 411544279 /nfs/dbraw/zinc/54/42/79/411544279.db2.gz NQVTYEVJYXQLPV-GLNPCMGASA-N 0 3 245.366 3.247 20 0 BGADHN C/C(=C/c1ccccc1)CN[C@H]1COC(C)(C)C1 ZINC000657530211 411544119 /nfs/dbraw/zinc/54/41/19/411544119.db2.gz NQVTYEVJYXQLPV-UZGISAJGSA-N 0 3 245.366 3.247 20 0 BGADHN CC1(C)C[C@@H](NCc2ccc3occc3c2)CO1 ZINC000657531518 411544183 /nfs/dbraw/zinc/54/41/83/411544183.db2.gz UEZHITNDIZZHHZ-CYBMUJFWSA-N 0 3 245.322 3.090 20 0 BGADHN CC1(C)C[C@H](NCc2ccc3occc3c2)CO1 ZINC000657531519 411543890 /nfs/dbraw/zinc/54/38/90/411543890.db2.gz UEZHITNDIZZHHZ-ZDUSSCGKSA-N 0 3 245.322 3.090 20 0 BGADHN C[C@H](CNCc1ccccc1F)c1ccccn1 ZINC000657532011 411545265 /nfs/dbraw/zinc/54/52/65/411545265.db2.gz RADBVJFBJDOVNB-GFCCVEGCSA-N 0 3 244.313 3.114 20 0 BGADHN C[C@@H](CNCc1ccccc1F)c1ccccn1 ZINC000657532012 411544985 /nfs/dbraw/zinc/54/49/85/411544985.db2.gz RADBVJFBJDOVNB-LBPRGKRZSA-N 0 3 244.313 3.114 20 0 BGADHN Cc1c[nH]nc1CN[C@H]1CCCC12CCCCC2 ZINC000657535718 411545669 /nfs/dbraw/zinc/54/56/69/411545669.db2.gz ARPNTBUFWFBXIA-AWEZNQCLSA-N 0 3 247.386 3.311 20 0 BGADHN Cc1c[nH]nc1CN[C@@H]1CCCC12CCCCC2 ZINC000657535720 411545740 /nfs/dbraw/zinc/54/57/40/411545740.db2.gz ARPNTBUFWFBXIA-CQSZACIVSA-N 0 3 247.386 3.311 20 0 BGADHN Cc1c[nH]c(CN[C@@H]2CCCC23CCCCC3)n1 ZINC000657536459 411545811 /nfs/dbraw/zinc/54/58/11/411545811.db2.gz JNAQDIQYLLUYHQ-CYBMUJFWSA-N 0 3 247.386 3.311 20 0 BGADHN Cc1c[nH]c(CN[C@H]2CCCC23CCCCC3)n1 ZINC000657536460 411545965 /nfs/dbraw/zinc/54/59/65/411545965.db2.gz JNAQDIQYLLUYHQ-ZDUSSCGKSA-N 0 3 247.386 3.311 20 0 BGADHN CCc1ccc(CNC[C@@H](C)c2ccccn2)o1 ZINC000657536755 411545658 /nfs/dbraw/zinc/54/56/58/411545658.db2.gz ZFEKDQPSAQWKEP-GFCCVEGCSA-N 0 3 244.338 3.130 20 0 BGADHN CCc1ccc(CNC[C@H](C)c2ccccn2)o1 ZINC000657536756 411545945 /nfs/dbraw/zinc/54/59/45/411545945.db2.gz ZFEKDQPSAQWKEP-LBPRGKRZSA-N 0 3 244.338 3.130 20 0 BGADHN Clc1ccccc1CN[C@@]12C[C@@H]1CCC2 ZINC000657548876 411546628 /nfs/dbraw/zinc/54/66/28/411546628.db2.gz PXFTXOPHAPTIHO-AAEUAGOBSA-N 0 3 221.731 3.372 20 0 BGADHN Clc1ccccc1CN[C@]12C[C@H]1CCC2 ZINC000657548877 411546697 /nfs/dbraw/zinc/54/66/97/411546697.db2.gz PXFTXOPHAPTIHO-DGCLKSJQSA-N 0 3 221.731 3.372 20 0 BGADHN COc1ccc(C)cc1CN[C@]12C[C@H]1CCC2 ZINC000657549845 411546480 /nfs/dbraw/zinc/54/64/80/411546480.db2.gz FOXRLIOGBIQBIR-UKRRQHHQSA-N 0 3 231.339 3.036 20 0 BGADHN COc1ccc(C)cc1CN[C@@]12C[C@@H]1CCC2 ZINC000657549847 411546208 /nfs/dbraw/zinc/54/62/08/411546208.db2.gz FOXRLIOGBIQBIR-ZFWWWQNUSA-N 0 3 231.339 3.036 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CN[C@@]23C[C@@H]2CCC3)o1 ZINC000657550116 411551380 /nfs/dbraw/zinc/55/13/80/411551380.db2.gz GWDUFYHPGYSLLM-MPXAEWJHSA-N 0 3 231.339 3.435 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CN[C@]23C[C@H]2CCC3)o1 ZINC000657550124 411551695 /nfs/dbraw/zinc/55/16/95/411551695.db2.gz GWDUFYHPGYSLLM-UQFNBPPOSA-N 0 3 231.339 3.435 20 0 BGADHN Fc1cc(F)c(CN[C@]23C[C@H]2CCC3)cc1F ZINC000657550299 411551699 /nfs/dbraw/zinc/55/16/99/411551699.db2.gz HYCRFYFXYYYWFP-NOZJJQNGSA-N 0 3 241.256 3.136 20 0 BGADHN Fc1cc(F)c(CN[C@@]23C[C@@H]2CCC3)cc1F ZINC000657550305 411551287 /nfs/dbraw/zinc/55/12/87/411551287.db2.gz HYCRFYFXYYYWFP-ZANVPECISA-N 0 3 241.256 3.136 20 0 BGADHN COc1cc(C)ccc1CN[C@]12C[C@H]1CCC2 ZINC000657550593 411551821 /nfs/dbraw/zinc/55/18/21/411551821.db2.gz DFQVIIFQNDSMBT-UKRRQHHQSA-N 0 3 231.339 3.036 20 0 BGADHN COc1cc(C)ccc1CN[C@@]12C[C@@H]1CCC2 ZINC000657550597 411551864 /nfs/dbraw/zinc/55/18/64/411551864.db2.gz DFQVIIFQNDSMBT-ZFWWWQNUSA-N 0 3 231.339 3.036 20 0 BGADHN Cc1cccc(CN[C@@]23C[C@@H]2CCC3)c1F ZINC000657550828 490284585 /nfs/dbraw/zinc/28/45/85/490284585.db2.gz FMHBDTMTAIPVCV-JSGCOSHPSA-N 0 3 219.303 3.166 20 0 BGADHN Cc1cccc(CN[C@]23C[C@H]2CCC3)c1F ZINC000657550832 490284997 /nfs/dbraw/zinc/28/49/97/490284997.db2.gz FMHBDTMTAIPVCV-TZMCWYRMSA-N 0 3 219.303 3.166 20 0 BGADHN Clc1cscc1CN[C@]12C[C@H]1CCC2 ZINC000657550843 490284556 /nfs/dbraw/zinc/28/45/56/490284556.db2.gz KUJGEHCEHRNUKW-MWLCHTKSSA-N 0 3 227.760 3.434 20 0 BGADHN Clc1cscc1CN[C@@]12C[C@@H]1CCC2 ZINC000657550845 490285056 /nfs/dbraw/zinc/28/50/56/490285056.db2.gz KUJGEHCEHRNUKW-ONGXEEELSA-N 0 3 227.760 3.434 20 0 BGADHN c1nc(C2CCC2)sc1CN[C@]12C[C@H]1CCC2 ZINC000657551452 411547758 /nfs/dbraw/zinc/54/77/58/411547758.db2.gz NKQFGBNXQJVLRM-BXUZGUMPSA-N 0 3 248.395 3.443 20 0 BGADHN c1nc(C2CCC2)sc1CN[C@@]12C[C@@H]1CCC2 ZINC000657551453 411547860 /nfs/dbraw/zinc/54/78/60/411547860.db2.gz NKQFGBNXQJVLRM-FZMZJTMJSA-N 0 3 248.395 3.443 20 0 BGADHN Cc1ccc(F)c(CN[C@@]23C[C@@H]2CCC3)c1 ZINC000657552549 411548076 /nfs/dbraw/zinc/54/80/76/411548076.db2.gz RXJLICOORZCGOR-JSGCOSHPSA-N 0 3 219.303 3.166 20 0 BGADHN Cc1ccc(F)c(CN[C@]23C[C@H]2CCC3)c1 ZINC000657552554 411548280 /nfs/dbraw/zinc/54/82/80/411548280.db2.gz RXJLICOORZCGOR-TZMCWYRMSA-N 0 3 219.303 3.166 20 0 BGADHN Clc1ccsc1CN[C@@]12C[C@@H]1CCC2 ZINC000657552556 411548228 /nfs/dbraw/zinc/54/82/28/411548228.db2.gz PYOPCYVEDMOHPV-KWQFWETISA-N 0 3 227.760 3.434 20 0 BGADHN Clc1ccsc1CN[C@]12C[C@H]1CCC2 ZINC000657552557 411548239 /nfs/dbraw/zinc/54/82/39/411548239.db2.gz PYOPCYVEDMOHPV-LDYMZIIASA-N 0 3 227.760 3.434 20 0 BGADHN Fc1cc(CN[C@]23C[C@H]2CCC3)cc(F)c1F ZINC000657552982 411548631 /nfs/dbraw/zinc/54/86/31/411548631.db2.gz TZROLVKMKLSJHJ-NOZJJQNGSA-N 0 3 241.256 3.136 20 0 BGADHN Fc1cc(CN[C@@]23C[C@@H]2CCC3)cc(F)c1F ZINC000657552991 411548570 /nfs/dbraw/zinc/54/85/70/411548570.db2.gz TZROLVKMKLSJHJ-ZANVPECISA-N 0 3 241.256 3.136 20 0 BGADHN Fc1ccc(CN[C@]23C[C@H]2CCC3)c(F)c1F ZINC000657553014 411548502 /nfs/dbraw/zinc/54/85/02/411548502.db2.gz RFDVHAXIBWQFNO-NOZJJQNGSA-N 0 3 241.256 3.136 20 0 BGADHN Fc1ccc(CN[C@@]23C[C@@H]2CCC3)c(F)c1F ZINC000657553027 411548605 /nfs/dbraw/zinc/54/86/05/411548605.db2.gz RFDVHAXIBWQFNO-ZANVPECISA-N 0 3 241.256 3.136 20 0 BGADHN CC(C)c1cnc(CN[C@@]23C[C@@H]2CCC3)s1 ZINC000657553074 411548840 /nfs/dbraw/zinc/54/88/40/411548840.db2.gz UOZTVEOKDQOOKG-GWCFXTLKSA-N 0 3 236.384 3.299 20 0 BGADHN CC(C)c1cnc(CN[C@]23C[C@H]2CCC3)s1 ZINC000657553082 411548737 /nfs/dbraw/zinc/54/87/37/411548737.db2.gz UOZTVEOKDQOOKG-ZWNOBZJWSA-N 0 3 236.384 3.299 20 0 BGADHN Clc1ccc(CN[C@@]23C[C@@H]2CCC3)s1 ZINC000657553089 411548462 /nfs/dbraw/zinc/54/84/62/411548462.db2.gz UPAZAGAAXMFWPV-KWQFWETISA-N 0 3 227.760 3.434 20 0 BGADHN Clc1ccc(CN[C@]23C[C@H]2CCC3)s1 ZINC000657553092 411548667 /nfs/dbraw/zinc/54/86/67/411548667.db2.gz UPAZAGAAXMFWPV-LDYMZIIASA-N 0 3 227.760 3.434 20 0 BGADHN c1nc(C2CC2)c(CN[C@@]23C[C@@H]2CCC3)s1 ZINC000657553515 411548539 /nfs/dbraw/zinc/54/85/39/411548539.db2.gz UJNKOFWTKGYPGJ-GWCFXTLKSA-N 0 3 234.368 3.053 20 0 BGADHN c1nc(C2CC2)c(CN[C@]23C[C@H]2CCC3)s1 ZINC000657553521 411548754 /nfs/dbraw/zinc/54/87/54/411548754.db2.gz UJNKOFWTKGYPGJ-ZWNOBZJWSA-N 0 3 234.368 3.053 20 0 BGADHN Clc1sccc1CN[C@]12C[C@H]1CCC2 ZINC000657553561 411549000 /nfs/dbraw/zinc/54/90/00/411549000.db2.gz URTLEMBDIBLFLG-MWLCHTKSSA-N 0 3 227.760 3.434 20 0 BGADHN Clc1sccc1CN[C@@]12C[C@@H]1CCC2 ZINC000657553564 411549295 /nfs/dbraw/zinc/54/92/95/411549295.db2.gz URTLEMBDIBLFLG-ONGXEEELSA-N 0 3 227.760 3.434 20 0 BGADHN c1nc(C2CC2)sc1CN[C@@]12C[C@@H]1CCC2 ZINC000657554193 411549256 /nfs/dbraw/zinc/54/92/56/411549256.db2.gz XXJWUGXTSSEBIS-GWCFXTLKSA-N 0 3 234.368 3.053 20 0 BGADHN c1nc(C2CC2)sc1CN[C@]12C[C@H]1CCC2 ZINC000657554201 411549180 /nfs/dbraw/zinc/54/91/80/411549180.db2.gz XXJWUGXTSSEBIS-ZWNOBZJWSA-N 0 3 234.368 3.053 20 0 BGADHN c1c2ccccc2oc1CN[C@]12C[C@H]1CCC2 ZINC000657554217 411549022 /nfs/dbraw/zinc/54/90/22/411549022.db2.gz XZPWRTDRXLGVLW-IUODEOHRSA-N 0 3 227.307 3.465 20 0 BGADHN c1c2ccccc2oc1CN[C@@]12C[C@@H]1CCC2 ZINC000657554221 411549308 /nfs/dbraw/zinc/54/93/08/411549308.db2.gz XZPWRTDRXLGVLW-WFASDCNBSA-N 0 3 227.307 3.465 20 0 BGADHN C(N[C@@]12C[C@@H]1CCC2)c1nc2c(s1)CCCC2 ZINC000657554810 411549460 /nfs/dbraw/zinc/54/94/60/411549460.db2.gz ZNVCBRHYOREOIU-HZMBPMFUSA-N 0 3 248.395 3.054 20 0 BGADHN C(N[C@]12C[C@H]1CCC2)c1nc2c(s1)CCCC2 ZINC000657554815 411549436 /nfs/dbraw/zinc/54/94/36/411549436.db2.gz ZNVCBRHYOREOIU-QMTHXVAHSA-N 0 3 248.395 3.054 20 0 BGADHN Cc1cc(F)ccc1C[C@@H](C)NCc1ccco1 ZINC000657558625 411551100 /nfs/dbraw/zinc/55/11/00/411551100.db2.gz CTVHAYZFSGPBNJ-GFCCVEGCSA-N 0 3 247.313 3.448 20 0 BGADHN Cc1cc(F)ccc1C[C@H](C)NCc1ccco1 ZINC000657558726 411551081 /nfs/dbraw/zinc/55/10/81/411551081.db2.gz CTVHAYZFSGPBNJ-LBPRGKRZSA-N 0 3 247.313 3.448 20 0 BGADHN CC[C@H](COCC1CC1)NCc1ccsc1 ZINC000657559896 411551514 /nfs/dbraw/zinc/55/15/14/411551514.db2.gz BCEHYUPXQICXNG-CYBMUJFWSA-N 0 3 239.384 3.043 20 0 BGADHN CC[C@@H](COCC1CC1)NCc1ccsc1 ZINC000657559897 411551584 /nfs/dbraw/zinc/55/15/84/411551584.db2.gz BCEHYUPXQICXNG-ZDUSSCGKSA-N 0 3 239.384 3.043 20 0 BGADHN CC[C@H](COCC1CC1)NCc1cccs1 ZINC000657563002 411552154 /nfs/dbraw/zinc/55/21/54/411552154.db2.gz YZIYKHKNAVQPBF-GFCCVEGCSA-N 0 3 239.384 3.043 20 0 BGADHN CC[C@@H](COCC1CC1)NCc1cccs1 ZINC000657563004 411552384 /nfs/dbraw/zinc/55/23/84/411552384.db2.gz YZIYKHKNAVQPBF-LBPRGKRZSA-N 0 3 239.384 3.043 20 0 BGADHN CCC(C)(C)[C@@H](C)NCc1cc2n(n1)CCCC2 ZINC000657577330 411553901 /nfs/dbraw/zinc/55/39/01/411553901.db2.gz CWWSERSQEUYNQN-GFCCVEGCSA-N 0 3 249.402 3.134 20 0 BGADHN CCC(C)(C)[C@H](C)NCc1cc2n(n1)CCCC2 ZINC000657577334 411554000 /nfs/dbraw/zinc/55/40/00/411554000.db2.gz CWWSERSQEUYNQN-LBPRGKRZSA-N 0 3 249.402 3.134 20 0 BGADHN CCC(C)(C)[C@@H](C)NCc1ccc(COC)o1 ZINC000657578016 411554194 /nfs/dbraw/zinc/55/41/94/411554194.db2.gz IKTINRBYMMEUGG-LLVKDONJSA-N 0 3 239.359 3.340 20 0 BGADHN CCC(C)(C)[C@H](C)NCc1ccc(COC)o1 ZINC000657578018 411553848 /nfs/dbraw/zinc/55/38/48/411553848.db2.gz IKTINRBYMMEUGG-NSHDSACASA-N 0 3 239.359 3.340 20 0 BGADHN CCC(C)(C)[C@@H](C)NCc1nccn1C(C)C ZINC000657578058 411553969 /nfs/dbraw/zinc/55/39/69/411553969.db2.gz JJSVWNVFWILCQA-GFCCVEGCSA-N 0 3 237.391 3.378 20 0 BGADHN CCC(C)(C)[C@H](C)NCc1nccn1C(C)C ZINC000657578059 411553863 /nfs/dbraw/zinc/55/38/63/411553863.db2.gz JJSVWNVFWILCQA-LBPRGKRZSA-N 0 3 237.391 3.378 20 0 BGADHN CCC(C)(C)[C@H](C)NCc1ccncc1F ZINC000657578421 411553794 /nfs/dbraw/zinc/55/37/94/411553794.db2.gz KILPWEGEVMHHHK-JTQLQIEISA-N 0 3 224.323 3.135 20 0 BGADHN CCC(C)(C)[C@@H](C)NCc1ccncc1F ZINC000657578422 411553959 /nfs/dbraw/zinc/55/39/59/411553959.db2.gz KILPWEGEVMHHHK-SNVBAGLBSA-N 0 3 224.323 3.135 20 0 BGADHN FC1(CNCc2ccc3occc3c2)CC1 ZINC000657584176 411555207 /nfs/dbraw/zinc/55/52/07/411555207.db2.gz AWGFSMGKJPVJDB-UHFFFAOYSA-N 0 3 219.259 3.025 20 0 BGADHN CC(C)OC[C@@H](C)NCc1ccc2occc2c1 ZINC000657584710 411553772 /nfs/dbraw/zinc/55/37/72/411553772.db2.gz JCFFRZMASMXPFL-GFCCVEGCSA-N 0 3 247.338 3.336 20 0 BGADHN CC(C)OC[C@H](C)NCc1ccc2occc2c1 ZINC000657584712 411553844 /nfs/dbraw/zinc/55/38/44/411553844.db2.gz JCFFRZMASMXPFL-LBPRGKRZSA-N 0 3 247.338 3.336 20 0 BGADHN C[C@@H]1C[C@H](NCc2ccc3occc3c2)[C@@H](C)O1 ZINC000657584867 411557425 /nfs/dbraw/zinc/55/74/25/411557425.db2.gz JXKBATJIDDUOOC-GYSYKLTISA-N 0 3 245.322 3.088 20 0 BGADHN C[C@@H]1C[C@@H](NCc2ccc3occc3c2)[C@@H](C)O1 ZINC000657584869 411557297 /nfs/dbraw/zinc/55/72/97/411557297.db2.gz JXKBATJIDDUOOC-JTNHKYCSSA-N 0 3 245.322 3.088 20 0 BGADHN C[C@@H]1C[C@H](NCc2ccc3occc3c2)[C@H](C)O1 ZINC000657584871 411557487 /nfs/dbraw/zinc/55/74/87/411557487.db2.gz JXKBATJIDDUOOC-SUNKGSAMSA-N 0 3 245.322 3.088 20 0 BGADHN C[C@@H]1C[C@@H](NCc2ccc3occc3c2)[C@H](C)O1 ZINC000657584873 411557325 /nfs/dbraw/zinc/55/73/25/411557325.db2.gz JXKBATJIDDUOOC-UHIISALHSA-N 0 3 245.322 3.088 20 0 BGADHN CC[C@H]1C[C@H](NCc2ccc3occc3c2)CO1 ZINC000657585199 411557221 /nfs/dbraw/zinc/55/72/21/411557221.db2.gz PKWTUCAWSKYXLM-KBPBESRZSA-N 0 3 245.322 3.090 20 0 BGADHN CC[C@H]1C[C@@H](NCc2ccc3occc3c2)CO1 ZINC000657585200 411557218 /nfs/dbraw/zinc/55/72/18/411557218.db2.gz PKWTUCAWSKYXLM-KGLIPLIRSA-N 0 3 245.322 3.090 20 0 BGADHN CC[C@@H]1C[C@H](NCc2ccc3occc3c2)CO1 ZINC000657585201 411557544 /nfs/dbraw/zinc/55/75/44/411557544.db2.gz PKWTUCAWSKYXLM-UONOGXRCSA-N 0 3 245.322 3.090 20 0 BGADHN CC[C@@H]1C[C@@H](NCc2ccc3occc3c2)CO1 ZINC000657585202 411557534 /nfs/dbraw/zinc/55/75/34/411557534.db2.gz PKWTUCAWSKYXLM-ZIAGYGMSSA-N 0 3 245.322 3.090 20 0 BGADHN CC[C@@H](C)CCNCc1cn2cc(C)ccc2n1 ZINC000657585448 411557267 /nfs/dbraw/zinc/55/72/67/411557267.db2.gz AVVYQTZAFMIUOC-GFCCVEGCSA-N 0 3 245.370 3.169 20 0 BGADHN CC[C@H](C)CCNCc1cn2cc(C)ccc2n1 ZINC000657585450 411557319 /nfs/dbraw/zinc/55/73/19/411557319.db2.gz AVVYQTZAFMIUOC-LBPRGKRZSA-N 0 3 245.370 3.169 20 0 BGADHN CCOc1cccc(CNCC[C@H](C)CC)n1 ZINC000657585451 411557323 /nfs/dbraw/zinc/55/73/23/411557323.db2.gz AWJRMGAYLNOALW-GFCCVEGCSA-N 0 3 236.359 3.006 20 0 BGADHN CCOc1cccc(CNCC[C@@H](C)CC)n1 ZINC000657585453 411557337 /nfs/dbraw/zinc/55/73/37/411557337.db2.gz AWJRMGAYLNOALW-LBPRGKRZSA-N 0 3 236.359 3.006 20 0 BGADHN CC[C@H](C)CCNCc1nc2c(s1)CCC2 ZINC000657586119 411557263 /nfs/dbraw/zinc/55/72/63/411557263.db2.gz HWLZDWJHNLOBRA-JTQLQIEISA-N 0 3 238.400 3.158 20 0 BGADHN CC[C@@H](C)CCNCc1nc2c(s1)CCC2 ZINC000657586120 411557400 /nfs/dbraw/zinc/55/74/00/411557400.db2.gz HWLZDWJHNLOBRA-SNVBAGLBSA-N 0 3 238.400 3.158 20 0 BGADHN CC[C@@H](C)CCNCc1nn(C)c2ccccc12 ZINC000657586916 411557965 /nfs/dbraw/zinc/55/79/65/411557965.db2.gz NSIKRFHJXFABQT-GFCCVEGCSA-N 0 3 245.370 3.099 20 0 BGADHN CC[C@H](C)CCNCc1nn(C)c2ccccc12 ZINC000657586917 411557779 /nfs/dbraw/zinc/55/77/79/411557779.db2.gz NSIKRFHJXFABQT-LBPRGKRZSA-N 0 3 245.370 3.099 20 0 BGADHN CC[C@@H](C)CCNCc1cnc(C(C)(C)C)nc1 ZINC000657587073 411558006 /nfs/dbraw/zinc/55/80/06/411558006.db2.gz QQPDSXBHXWLRAH-GFCCVEGCSA-N 0 3 249.402 3.300 20 0 BGADHN CC[C@H](C)CCNCc1cnc(C(C)(C)C)nc1 ZINC000657587074 411557786 /nfs/dbraw/zinc/55/77/86/411557786.db2.gz QQPDSXBHXWLRAH-LBPRGKRZSA-N 0 3 249.402 3.300 20 0 BGADHN CC[C@@H](C)CCNCc1ccc(Cl)o1 ZINC000657587112 411558144 /nfs/dbraw/zinc/55/81/44/411558144.db2.gz QVPGHFSFVZKOEL-SECBINFHSA-N 0 3 215.724 3.459 20 0 BGADHN CC[C@H](C)CCNCc1ccc(Cl)o1 ZINC000657587113 411557939 /nfs/dbraw/zinc/55/79/39/411557939.db2.gz QVPGHFSFVZKOEL-VIFPVBQESA-N 0 3 215.724 3.459 20 0 BGADHN CC[C@@H](C)CCNCc1nc2ccccc2n1C ZINC000657587617 411558043 /nfs/dbraw/zinc/55/80/43/411558043.db2.gz YVCAYLBAMSEMBA-GFCCVEGCSA-N 0 3 245.370 3.099 20 0 BGADHN CC[C@H](C)CCNCc1nc2ccccc2n1C ZINC000657587619 411558077 /nfs/dbraw/zinc/55/80/77/411558077.db2.gz YVCAYLBAMSEMBA-LBPRGKRZSA-N 0 3 245.370 3.099 20 0 BGADHN CC[C@@H](C)CCNCc1ccc(-c2cc[nH]n2)o1 ZINC000657587783 411558085 /nfs/dbraw/zinc/55/80/85/411558085.db2.gz XISMPNWUVNSIMZ-LLVKDONJSA-N 0 3 247.342 3.196 20 0 BGADHN CC[C@H](C)CCNCc1ccc(-c2cc[nH]n2)o1 ZINC000657587785 411558002 /nfs/dbraw/zinc/55/80/02/411558002.db2.gz XISMPNWUVNSIMZ-NSHDSACASA-N 0 3 247.342 3.196 20 0 BGADHN Cc1c[nH]nc1CNC[C@]1(C)CC[C@H](C)C1(C)C ZINC000657589099 411555278 /nfs/dbraw/zinc/55/52/78/411555278.db2.gz FCZFRPOITYZJBC-WFASDCNBSA-N 0 3 249.402 3.270 20 0 BGADHN C[C@H]1C[C@H](CNCc2cscn2)C[C@@H](C)C1 ZINC000657589132 411555232 /nfs/dbraw/zinc/55/52/32/411555232.db2.gz FXZDKCANZZORES-GDNZZTSVSA-N 0 3 238.400 3.305 20 0 BGADHN C[C@H]1CC(CNCc2cscn2)C[C@H](C)C1 ZINC000657589133 411555203 /nfs/dbraw/zinc/55/52/03/411555203.db2.gz FXZDKCANZZORES-GHMZBOCLSA-N 0 3 238.400 3.305 20 0 BGADHN C[C@@H]1CC(CNCc2cscn2)C[C@@H](C)C1 ZINC000657589134 411555236 /nfs/dbraw/zinc/55/52/36/411555236.db2.gz FXZDKCANZZORES-QWRGUYRKSA-N 0 3 238.400 3.305 20 0 BGADHN CCn1ccnc1CNCC1C[C@H](C)C[C@@H](C)C1 ZINC000657589267 411555724 /nfs/dbraw/zinc/55/57/24/411555724.db2.gz GPTGCRCQQINVJY-CHWSQXEVSA-N 0 3 249.402 3.065 20 0 BGADHN CCn1ccnc1CNCC1C[C@@H](C)C[C@H](C)C1 ZINC000657589268 411555805 /nfs/dbraw/zinc/55/58/05/411555805.db2.gz GPTGCRCQQINVJY-STQMWFEESA-N 0 3 249.402 3.065 20 0 BGADHN CCn1ccnc1CNC[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000657589269 411556115 /nfs/dbraw/zinc/55/61/15/411556115.db2.gz GPTGCRCQQINVJY-WDNDVIMCSA-N 0 3 249.402 3.065 20 0 BGADHN Cc1nc(CNCC2C[C@H](C)C[C@@H](C)C2)[nH]c1C ZINC000657589481 411556164 /nfs/dbraw/zinc/55/61/64/411556164.db2.gz KDTBEYATGGEHPH-GHMZBOCLSA-N 0 3 249.402 3.188 20 0 BGADHN Cc1nc(CNCC2C[C@@H](C)C[C@H](C)C2)[nH]c1C ZINC000657589482 411556158 /nfs/dbraw/zinc/55/61/58/411556158.db2.gz KDTBEYATGGEHPH-QWRGUYRKSA-N 0 3 249.402 3.188 20 0 BGADHN Cc1nc(CNC[C@H]2C[C@H](C)C[C@H](C)C2)[nH]c1C ZINC000657589483 411556143 /nfs/dbraw/zinc/55/61/43/411556143.db2.gz KDTBEYATGGEHPH-YABSGUDNSA-N 0 3 249.402 3.188 20 0 BGADHN C[C@H]1C[C@H](CNCc2nccs2)C[C@@H](C)C1 ZINC000657589529 411555840 /nfs/dbraw/zinc/55/58/40/411555840.db2.gz LPXAVUQRWWRTNT-GDNZZTSVSA-N 0 3 238.400 3.305 20 0 BGADHN C[C@H]1CC(CNCc2nccs2)C[C@H](C)C1 ZINC000657589530 411555970 /nfs/dbraw/zinc/55/59/70/411555970.db2.gz LPXAVUQRWWRTNT-GHMZBOCLSA-N 0 3 238.400 3.305 20 0 BGADHN C[C@@H]1CC(CNCc2nccs2)C[C@@H](C)C1 ZINC000657589531 411556045 /nfs/dbraw/zinc/55/60/45/411556045.db2.gz LPXAVUQRWWRTNT-QWRGUYRKSA-N 0 3 238.400 3.305 20 0 BGADHN Cc1nocc1CNCC1C[C@H](C)C[C@@H](C)C1 ZINC000657589614 411556193 /nfs/dbraw/zinc/55/61/93/411556193.db2.gz MWTHLTKADCKSIA-GHMZBOCLSA-N 0 3 236.359 3.145 20 0 BGADHN Cc1nocc1CNC[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000657589615 411555890 /nfs/dbraw/zinc/55/58/90/411555890.db2.gz MWTHLTKADCKSIA-PJXYFTJBSA-N 0 3 236.359 3.145 20 0 BGADHN Cc1nocc1CNCC1C[C@@H](C)C[C@H](C)C1 ZINC000657589616 411555880 /nfs/dbraw/zinc/55/58/80/411555880.db2.gz MWTHLTKADCKSIA-QWRGUYRKSA-N 0 3 236.359 3.145 20 0 BGADHN C[C@H]1CC[C@@](C)(CNCc2cocn2)C1(C)C ZINC000657590029 411555835 /nfs/dbraw/zinc/55/58/35/411555835.db2.gz VALVGMVMGCQXLJ-FZMZJTMJSA-N 0 3 236.359 3.227 20 0 BGADHN CCC[C@@H](C)CN[C@H](C)c1cscn1 ZINC000657600027 411558742 /nfs/dbraw/zinc/55/87/42/411558742.db2.gz IUVPBQSKXLRLSM-NXEZZACHSA-N 0 3 212.362 3.230 20 0 BGADHN CCC[C@H](C)CN[C@@H](C)c1cscn1 ZINC000657600028 411558595 /nfs/dbraw/zinc/55/85/95/411558595.db2.gz IUVPBQSKXLRLSM-UWVGGRQHSA-N 0 3 212.362 3.230 20 0 BGADHN CCC[C@H](C)CN[C@H](C)c1cscn1 ZINC000657600029 411558670 /nfs/dbraw/zinc/55/86/70/411558670.db2.gz IUVPBQSKXLRLSM-VHSXEESVSA-N 0 3 212.362 3.230 20 0 BGADHN CCC[C@@H](C)CN[C@@H](C)c1cscn1 ZINC000657600030 411558793 /nfs/dbraw/zinc/55/87/93/411558793.db2.gz IUVPBQSKXLRLSM-ZJUUUORDSA-N 0 3 212.362 3.230 20 0 BGADHN CCO[C@H]1C[C@H](NCc2ccc([C@@H]3C[C@@H]3C)o2)C1 ZINC000657609142 411562505 /nfs/dbraw/zinc/56/25/05/411562505.db2.gz AGEDTIZJQWWUNV-AUZPSNTRSA-N 0 3 249.354 3.060 20 0 BGADHN CCO[C@H]1C[C@H](NCc2ccc([C@@H]3C[C@H]3C)o2)C1 ZINC000657609144 411562828 /nfs/dbraw/zinc/56/28/28/411562828.db2.gz AGEDTIZJQWWUNV-HBJVGIJOSA-N 0 3 249.354 3.060 20 0 BGADHN CCO[C@H]1C[C@H](NCc2ccc([C@H]3C[C@@H]3C)o2)C1 ZINC000657609146 411562593 /nfs/dbraw/zinc/56/25/93/411562593.db2.gz AGEDTIZJQWWUNV-IMIFBBOLSA-N 0 3 249.354 3.060 20 0 BGADHN CCO[C@H]1C[C@H](NCc2ccc([C@H]3C[C@H]3C)o2)C1 ZINC000657609148 411562668 /nfs/dbraw/zinc/56/26/68/411562668.db2.gz AGEDTIZJQWWUNV-OXHZDVMGSA-N 0 3 249.354 3.060 20 0 BGADHN CCO[C@H]1C[C@H](NCc2coc3ccccc23)C1 ZINC000657609401 411562656 /nfs/dbraw/zinc/56/26/56/411562656.db2.gz DGJCOLSIVMMAHN-JOCQHMNTSA-N 0 3 245.322 3.090 20 0 BGADHN CCO[C@H]1C[C@H](NCc2sccc2Cl)C1 ZINC000657609885 411562526 /nfs/dbraw/zinc/56/25/26/411562526.db2.gz LFQPYEOPUILMTB-KYZUINATSA-N 0 3 245.775 3.059 20 0 BGADHN CCO[C@H]1C[C@H](NCc2cscc2Cl)C1 ZINC000657610707 411562499 /nfs/dbraw/zinc/56/24/99/411562499.db2.gz YSAMPXWHKXZTLZ-MGCOHNPYSA-N 0 3 245.775 3.059 20 0 BGADHN CCO[C@H]1C[C@H](NCc2ccsc2Cl)C1 ZINC000657610710 411563096 /nfs/dbraw/zinc/56/30/96/411563096.db2.gz YWFSHYIYVSAVCN-MGCOHNPYSA-N 0 3 245.775 3.059 20 0 BGADHN CCO[C@H]1C[C@H](NCc2ccc(Cl)s2)C1 ZINC000657611112 411562989 /nfs/dbraw/zinc/56/29/89/411562989.db2.gz WBBVZUSJRPFSFO-KYZUINATSA-N 0 3 245.775 3.059 20 0 BGADHN CCO[C@H]1C[C@H](NCc2cc3ccccc3o2)C1 ZINC000657611423 411563306 /nfs/dbraw/zinc/56/33/06/411563306.db2.gz ZTCCZWVWBAEJEM-JOCQHMNTSA-N 0 3 245.322 3.090 20 0 BGADHN Cc1ccc(CN[C@@H]2Cc3ccccc3[C@@H]2C)o1 ZINC000657615118 411563640 /nfs/dbraw/zinc/56/36/40/411563640.db2.gz CGNLDDINOPSTMD-BLLLJJGKSA-N 0 3 241.334 3.406 20 0 BGADHN Cc1ccoc1CN[C@@H]1Cc2ccccc2[C@@H]1C ZINC000657615729 411563683 /nfs/dbraw/zinc/56/36/83/411563683.db2.gz DKEGGQVLKAQLGW-SWLSCSKDSA-N 0 3 241.334 3.406 20 0 BGADHN COC[C@@H](C)N[C@@H](c1ccccc1F)C(C)C ZINC000657616400 411563676 /nfs/dbraw/zinc/56/36/76/411563676.db2.gz XRCNCYMAXKLMGP-BXUZGUMPSA-N 0 3 239.334 3.147 20 0 BGADHN COC[C@H](C)N[C@H](c1ccccc1F)C(C)C ZINC000657616403 411563573 /nfs/dbraw/zinc/56/35/73/411563573.db2.gz XRCNCYMAXKLMGP-FZMZJTMJSA-N 0 3 239.334 3.147 20 0 BGADHN COC[C@@H](C)N[C@H](c1ccccc1F)C(C)C ZINC000657616405 411563737 /nfs/dbraw/zinc/56/37/37/411563737.db2.gz XRCNCYMAXKLMGP-RISCZKNCSA-N 0 3 239.334 3.147 20 0 BGADHN COC[C@H](C)N[C@@H](c1ccccc1F)C(C)C ZINC000657616408 411564048 /nfs/dbraw/zinc/56/40/48/411564048.db2.gz XRCNCYMAXKLMGP-SMDDNHRTSA-N 0 3 239.334 3.147 20 0 BGADHN C[C@H]1c2ccccc2C[C@H]1NCc1ccco1 ZINC000657616867 411564550 /nfs/dbraw/zinc/56/45/50/411564550.db2.gz UVXWPJPEQIUCMF-XHDPSFHLSA-N 0 3 227.307 3.098 20 0 BGADHN Cc1cc(C)cc(CNCc2cccnc2C)c1 ZINC000657625778 411565686 /nfs/dbraw/zinc/56/56/86/411565686.db2.gz GOWNPNOJTJWMLB-UHFFFAOYSA-N 0 3 240.350 3.297 20 0 BGADHN Cc1cc(C)cc(CN[C@@H](C)COC(C)C)c1 ZINC000657625779 411565848 /nfs/dbraw/zinc/56/58/48/411565848.db2.gz GPBBMZAOBCEUOY-AWEZNQCLSA-N 0 3 235.371 3.207 20 0 BGADHN Cc1cc(C)cc(CN[C@H](C)COC(C)C)c1 ZINC000657625780 411565897 /nfs/dbraw/zinc/56/58/97/411565897.db2.gz GPBBMZAOBCEUOY-CQSZACIVSA-N 0 3 235.371 3.207 20 0 BGADHN Cc1ccc(CCNCc2ccccn2)cc1C ZINC000657625834 411565694 /nfs/dbraw/zinc/56/56/94/411565694.db2.gz JFEKYCULVHLODD-UHFFFAOYSA-N 0 3 240.350 3.031 20 0 BGADHN Cc1ccc(CCNCc2nccs2)cc1C ZINC000657626460 411565949 /nfs/dbraw/zinc/56/59/49/411565949.db2.gz WSDGWGDHMFILRH-UHFFFAOYSA-N 0 3 246.379 3.092 20 0 BGADHN Cc1ccc(CCNCc2cncs2)cc1C ZINC000657627341 411565991 /nfs/dbraw/zinc/56/59/91/411565991.db2.gz ZATSQSYLWXYFKP-UHFFFAOYSA-N 0 3 246.379 3.092 20 0 BGADHN Cc1ccc(CN[C@@H]2COC3(CCC3)C2)c(C)c1 ZINC000657629571 411566291 /nfs/dbraw/zinc/56/62/91/411566291.db2.gz DMLDRZNFEOJDAA-HNNXBMFYSA-N 0 3 245.366 3.105 20 0 BGADHN Cc1ccc(CN[C@H]2COC3(CCC3)C2)c(C)c1 ZINC000657629572 411566321 /nfs/dbraw/zinc/56/63/21/411566321.db2.gz DMLDRZNFEOJDAA-OAHLLOKOSA-N 0 3 245.366 3.105 20 0 BGADHN Cc1cc(C)cc(CN[C@@H]2COC3(CCC3)C2)c1 ZINC000657631043 411567199 /nfs/dbraw/zinc/56/71/99/411567199.db2.gz VHLLZIMVMQJNER-HNNXBMFYSA-N 0 3 245.366 3.105 20 0 BGADHN Cc1cc(C)cc(CN[C@H]2COC3(CCC3)C2)c1 ZINC000657631044 411567281 /nfs/dbraw/zinc/56/72/81/411567281.db2.gz VHLLZIMVMQJNER-OAHLLOKOSA-N 0 3 245.366 3.105 20 0 BGADHN CCc1cccc(CN[C@@H]2COC3(CCC3)C2)c1 ZINC000657631173 411567243 /nfs/dbraw/zinc/56/72/43/411567243.db2.gz YXJJTERLPQDZLQ-HNNXBMFYSA-N 0 3 245.366 3.050 20 0 BGADHN CCc1cccc(CN[C@H]2COC3(CCC3)C2)c1 ZINC000657631174 411567129 /nfs/dbraw/zinc/56/71/29/411567129.db2.gz YXJJTERLPQDZLQ-OAHLLOKOSA-N 0 3 245.366 3.050 20 0 BGADHN CC(C)(C)OCCCNCc1ccc(Cl)o1 ZINC000657636792 411567820 /nfs/dbraw/zinc/56/78/20/411567820.db2.gz BDUBFCYZFGUWJN-UHFFFAOYSA-N 0 3 245.750 3.228 20 0 BGADHN CC(C)(C)OCCCNCc1ccccc1F ZINC000657636806 411567579 /nfs/dbraw/zinc/56/75/79/411567579.db2.gz BNFZIXSVGRRJQA-UHFFFAOYSA-N 0 3 239.334 3.121 20 0 BGADHN CCc1ccc(CNCCCOC(C)(C)C)o1 ZINC000657637710 411567835 /nfs/dbraw/zinc/56/78/35/411567835.db2.gz JVKKTPKMBYXMMF-UHFFFAOYSA-N 0 3 239.359 3.137 20 0 BGADHN CC(C)(F)CCNCc1ccc(F)c(F)c1 ZINC000657644239 411568060 /nfs/dbraw/zinc/56/80/60/411568060.db2.gz BHBJPAAHCIPZOM-UHFFFAOYSA-N 0 3 231.261 3.193 20 0 BGADHN CC(C)(F)CCNCc1ccccc1F ZINC000657644279 411568266 /nfs/dbraw/zinc/56/82/66/411568266.db2.gz CQVPSHXCJRUMNB-UHFFFAOYSA-N 0 3 213.271 3.054 20 0 BGADHN COc1ccc(C)cc1CNCCC(C)(C)F ZINC000657644300 411568204 /nfs/dbraw/zinc/56/82/04/411568204.db2.gz DQIQJANVRQRJFZ-UHFFFAOYSA-N 0 3 239.334 3.231 20 0 BGADHN CC(C)(F)CCNCc1ccc(Cl)o1 ZINC000657644361 411568416 /nfs/dbraw/zinc/56/84/16/411568416.db2.gz GRYPYOYQSXIHEM-UHFFFAOYSA-N 0 3 219.687 3.161 20 0 BGADHN CC(C)(F)CCNCc1cc(F)ccc1F ZINC000657644445 411568407 /nfs/dbraw/zinc/56/84/07/411568407.db2.gz KCBBBWJTAKFQBV-UHFFFAOYSA-N 0 3 231.261 3.193 20 0 BGADHN CCOc1ccccc1CNCCC(C)(C)F ZINC000657644505 411568035 /nfs/dbraw/zinc/56/80/35/411568035.db2.gz MIYXWLOGLKNGLH-UHFFFAOYSA-N 0 3 239.334 3.313 20 0 BGADHN CC(C)(F)CCNCc1c(F)cccc1F ZINC000657644635 411568367 /nfs/dbraw/zinc/56/83/67/411568367.db2.gz RPGKDPKQCYUPCB-UHFFFAOYSA-N 0 3 231.261 3.193 20 0 BGADHN CC(C)(F)CCNCc1cc2cccnc2o1 ZINC000657644725 411568341 /nfs/dbraw/zinc/56/83/41/411568341.db2.gz BHGPWHZDFMJPJQ-UHFFFAOYSA-N 0 3 236.290 3.056 20 0 BGADHN CC(C)(F)CCNCc1cc(F)c(F)c(F)c1 ZINC000657644753 411568326 /nfs/dbraw/zinc/56/83/26/411568326.db2.gz UHHMILAAPCPDMK-UHFFFAOYSA-N 0 3 249.251 3.332 20 0 BGADHN CC(C)(F)CCNCc1cccc(F)c1F ZINC000657644781 411568767 /nfs/dbraw/zinc/56/87/67/411568767.db2.gz DCPBWAXBABIVSV-UHFFFAOYSA-N 0 3 231.261 3.193 20 0 BGADHN Cc1ccc(F)c(CNCCC(C)(C)F)c1 ZINC000657644939 411568897 /nfs/dbraw/zinc/56/88/97/411568897.db2.gz HJGRBPLLOHIGDB-UHFFFAOYSA-N 0 3 227.298 3.362 20 0 BGADHN CC(C)(F)CCNCc1nccc2ccccc21 ZINC000657644952 411569073 /nfs/dbraw/zinc/56/90/73/411569073.db2.gz HQETUIJJNNVKNT-UHFFFAOYSA-N 0 3 246.329 3.463 20 0 BGADHN CC(C)(F)CCNCc1ccc(F)cc1F ZINC000657645032 411569003 /nfs/dbraw/zinc/56/90/03/411569003.db2.gz YFOAHPCBGYZTOA-UHFFFAOYSA-N 0 3 231.261 3.193 20 0 BGADHN CC(C)(F)CCNCc1cc(F)cc(F)c1 ZINC000657645129 411568810 /nfs/dbraw/zinc/56/88/10/411568810.db2.gz LEDDQMNQIUCGKX-UHFFFAOYSA-N 0 3 231.261 3.193 20 0 BGADHN Cc1nn(C(C)C)cc1CNCCC(C)(C)F ZINC000657645176 411568815 /nfs/dbraw/zinc/56/88/15/411568815.db2.gz MPOBBYADRNIMNC-UHFFFAOYSA-N 0 3 241.354 3.000 20 0 BGADHN COc1ccc(F)cc1CNCCC(C)(C)F ZINC000657645190 411568857 /nfs/dbraw/zinc/56/88/57/411568857.db2.gz NBBFSHPKQVXNRE-UHFFFAOYSA-N 0 3 243.297 3.062 20 0 BGADHN COc1cccc(CNCCC(C)(C)F)c1F ZINC000657645256 411568895 /nfs/dbraw/zinc/56/88/95/411568895.db2.gz POGZFBBMOWWQER-UHFFFAOYSA-N 0 3 243.297 3.062 20 0 BGADHN C[C@@H](NCCC(C)(C)F)c1cncc(F)c1 ZINC000657645271 411569172 /nfs/dbraw/zinc/56/91/72/411569172.db2.gz QDCZLDYZDSGORL-SECBINFHSA-N 0 3 228.286 3.010 20 0 BGADHN C[C@H](NCCC(C)(C)F)c1cncc(F)c1 ZINC000657645272 411568806 /nfs/dbraw/zinc/56/88/06/411568806.db2.gz QDCZLDYZDSGORL-VIFPVBQESA-N 0 3 228.286 3.010 20 0 BGADHN COc1ccc(F)c(CNCCC(C)(C)F)c1 ZINC000657645317 411568602 /nfs/dbraw/zinc/56/86/02/411568602.db2.gz RSNPBPGQHAYLKN-UHFFFAOYSA-N 0 3 243.297 3.062 20 0 BGADHN CC(C)(F)CCNCc1scnc1C1CC1 ZINC000657645345 411568907 /nfs/dbraw/zinc/56/89/07/411568907.db2.gz SFVUFZOJRMQWJE-UHFFFAOYSA-N 0 3 242.363 3.248 20 0 BGADHN CC(C)(F)CCNCc1cc(F)c(F)cc1F ZINC000657645375 411568924 /nfs/dbraw/zinc/56/89/24/411568924.db2.gz UBMROAPFQTZHDI-UHFFFAOYSA-N 0 3 249.251 3.332 20 0 BGADHN CC(C)c1cnc(CNCCC(C)(C)F)s1 ZINC000657645401 411569191 /nfs/dbraw/zinc/56/91/91/411569191.db2.gz UWIFWMGMKPAZHP-UHFFFAOYSA-N 0 3 244.379 3.494 20 0 BGADHN CCc1ccc(CNCCC(C)(C)F)o1 ZINC000657645431 411568975 /nfs/dbraw/zinc/56/89/75/411568975.db2.gz VYATXTWYDGYNSK-UHFFFAOYSA-N 0 3 213.296 3.070 20 0 BGADHN CC(C)(F)CCNCc1cnc(C2CC2)s1 ZINC000657645434 411569123 /nfs/dbraw/zinc/56/91/23/411569123.db2.gz WDBYQTDNAQWVOK-UHFFFAOYSA-N 0 3 242.363 3.248 20 0 BGADHN CC(C)(F)CCNCc1cc2cnccc2o1 ZINC000657645694 411568626 /nfs/dbraw/zinc/56/86/26/411568626.db2.gz FKLYIPFMUATPBM-UHFFFAOYSA-N 0 3 236.290 3.056 20 0 BGADHN COc1ccc(CNCCC(C)(C)F)c(F)c1 ZINC000657645816 411569601 /nfs/dbraw/zinc/56/96/01/411569601.db2.gz JRILGJHVCZTDCR-UHFFFAOYSA-N 0 3 243.297 3.062 20 0 BGADHN COc1cc(C)ccc1CNCCC(C)(C)F ZINC000657645830 411569517 /nfs/dbraw/zinc/56/95/17/411569517.db2.gz KGGFMQJLUWVCOR-UHFFFAOYSA-N 0 3 239.334 3.231 20 0 BGADHN COc1cc(F)cc(CNCCC(C)(C)F)c1 ZINC000657646001 411569595 /nfs/dbraw/zinc/56/95/95/411569595.db2.gz QVYJCIQYZKZNFK-UHFFFAOYSA-N 0 3 243.297 3.062 20 0 BGADHN Cc1cccc(CNCCC(C)(C)F)c1F ZINC000657646178 411569513 /nfs/dbraw/zinc/56/95/13/411569513.db2.gz XEDCVJBVHQLVPB-UHFFFAOYSA-N 0 3 227.298 3.362 20 0 BGADHN CC(C)(F)CCNCc1ccc(F)c(F)c1F ZINC000657646198 411569504 /nfs/dbraw/zinc/56/95/04/411569504.db2.gz XRFOICSQXUKYBA-UHFFFAOYSA-N 0 3 249.251 3.332 20 0 BGADHN Clc1ccc(CNCCc2ccoc2)s1 ZINC000657652484 411569813 /nfs/dbraw/zinc/56/98/13/411569813.db2.gz NNCOVSVTXKHECS-UHFFFAOYSA-N 0 3 241.743 3.327 20 0 BGADHN Clc1ccsc1CNCCc1ccoc1 ZINC000657652711 411570330 /nfs/dbraw/zinc/57/03/30/411570330.db2.gz CDFHUOKKCPJMBJ-UHFFFAOYSA-N 0 3 241.743 3.327 20 0 BGADHN CCOc1ccccc1CNCCc1ccoc1 ZINC000657653167 411570372 /nfs/dbraw/zinc/57/03/72/411570372.db2.gz SXZZGWLRWMKXOA-UHFFFAOYSA-N 0 3 245.322 3.011 20 0 BGADHN C[C@@H]1C[C@H]1c1ccc(CNCCc2ccoc2)o1 ZINC000657653168 411570663 /nfs/dbraw/zinc/57/06/63/411570663.db2.gz TZDAAZRTBJESBX-BXUZGUMPSA-N 0 3 245.322 3.328 20 0 BGADHN C[C@H]1C[C@@H]1c1ccc(CNCCc2ccoc2)o1 ZINC000657653169 411570690 /nfs/dbraw/zinc/57/06/90/411570690.db2.gz TZDAAZRTBJESBX-FZMZJTMJSA-N 0 3 245.322 3.328 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CNCCc2ccoc2)o1 ZINC000657653170 411570439 /nfs/dbraw/zinc/57/04/39/411570439.db2.gz TZDAAZRTBJESBX-RISCZKNCSA-N 0 3 245.322 3.328 20 0 BGADHN C[C@H]1C[C@H]1c1ccc(CNCCc2ccoc2)o1 ZINC000657653171 411570626 /nfs/dbraw/zinc/57/06/26/411570626.db2.gz TZDAAZRTBJESBX-SMDDNHRTSA-N 0 3 245.322 3.328 20 0 BGADHN Cc1cccc(CNCCc2ccoc2)c1F ZINC000657653624 411570739 /nfs/dbraw/zinc/57/07/39/411570739.db2.gz LVTUBXPRJPJEBR-UHFFFAOYSA-N 0 3 233.286 3.059 20 0 BGADHN Clc1sccc1CNCCc1ccoc1 ZINC000657653644 411570556 /nfs/dbraw/zinc/57/05/56/411570556.db2.gz MOVIMCKLYCVUFA-UHFFFAOYSA-N 0 3 241.743 3.327 20 0 BGADHN CCc1cccc(F)c1CNCCc1ccoc1 ZINC000657654023 411570292 /nfs/dbraw/zinc/57/02/92/411570292.db2.gz PNTRTLZPAYNHOA-UHFFFAOYSA-N 0 3 247.313 3.313 20 0 BGADHN Cc1ccc(F)c(CNCCc2ccoc2)c1 ZINC000657654410 411571137 /nfs/dbraw/zinc/57/11/37/411571137.db2.gz STQMKVYPFWUJAX-UHFFFAOYSA-N 0 3 233.286 3.059 20 0 BGADHN Clc1cscc1CNCCc1ccoc1 ZINC000657654682 411570972 /nfs/dbraw/zinc/57/09/72/411570972.db2.gz YFLMHZDUDGJLLE-UHFFFAOYSA-N 0 3 241.743 3.327 20 0 BGADHN Clc1ccc(CNC[C@@H]2CCC[C@H]3C[C@H]32)o1 ZINC000657656610 411571406 /nfs/dbraw/zinc/57/14/06/411571406.db2.gz QFTMKLAGPKHEOS-JBLDHEPKSA-N 0 3 239.746 3.459 20 0 BGADHN Clc1ccc(CNC[C@@H]2CCC[C@@H]3C[C@@H]32)o1 ZINC000657656615 411571443 /nfs/dbraw/zinc/57/14/43/411571443.db2.gz QFTMKLAGPKHEOS-SCVCMEIPSA-N 0 3 239.746 3.459 20 0 BGADHN Cc1cc(CNC[C@@]2(C)CC2(F)F)ccc1F ZINC000657663839 411576340 /nfs/dbraw/zinc/57/63/40/411576340.db2.gz FZEVGOLXAYNPLB-GFCCVEGCSA-N 0 3 243.272 3.269 20 0 BGADHN Cc1cc(CNC[C@]2(C)CC2(F)F)ccc1F ZINC000657663845 411576648 /nfs/dbraw/zinc/57/66/48/411576648.db2.gz FZEVGOLXAYNPLB-LBPRGKRZSA-N 0 3 243.272 3.269 20 0 BGADHN Cc1nc(CNCCCC2CCC2)cs1 ZINC000657664894 411577185 /nfs/dbraw/zinc/57/71/85/411577185.db2.gz KPYWTTYMWUYQPH-UHFFFAOYSA-N 0 3 224.373 3.121 20 0 BGADHN Cc1occc1CNCCCC1CCC1 ZINC000657664952 411577002 /nfs/dbraw/zinc/57/70/02/411577002.db2.gz BYCJXRJPMIFQLG-UHFFFAOYSA-N 0 3 207.317 3.258 20 0 BGADHN CC(C)n1ccnc1CNCCCC1CCC1 ZINC000657664979 411576955 /nfs/dbraw/zinc/57/69/55/411576955.db2.gz CCINSDKPJNPNMW-UHFFFAOYSA-N 0 3 235.375 3.134 20 0 BGADHN COCc1ccc(CNCCCC2CCC2)o1 ZINC000657665032 411577338 /nfs/dbraw/zinc/57/73/38/411577338.db2.gz CWZOWLALAKZLIM-UHFFFAOYSA-N 0 3 237.343 3.096 20 0 BGADHN c1nc(C2CC2)ncc1CNCCCC1CCC1 ZINC000657665124 411577038 /nfs/dbraw/zinc/57/70/38/411577038.db2.gz DJDOWLPBEHPFFZ-UHFFFAOYSA-N 0 3 245.370 3.024 20 0 BGADHN Cc1ccc(F)cc1CNC[C@@]1(C)CC1(F)F ZINC000657665358 411577065 /nfs/dbraw/zinc/57/70/65/411577065.db2.gz OFIARERROIAFEH-GFCCVEGCSA-N 0 3 243.272 3.269 20 0 BGADHN Cc1ccc(F)cc1CNC[C@]1(C)CC1(F)F ZINC000657665360 411577007 /nfs/dbraw/zinc/57/70/07/411577007.db2.gz OFIARERROIAFEH-LBPRGKRZSA-N 0 3 243.272 3.269 20 0 BGADHN CCc1cnc(CNCCCC2CCC2)s1 ZINC000657665660 411578185 /nfs/dbraw/zinc/57/81/85/411578185.db2.gz FTWPMRKDRYJPTK-UHFFFAOYSA-N 0 3 238.400 3.375 20 0 BGADHN CC(C)n1nccc1CNCCCC1CCC1 ZINC000657665814 411577984 /nfs/dbraw/zinc/57/79/84/411577984.db2.gz HNUAYPJVMQWMTJ-UHFFFAOYSA-N 0 3 235.375 3.134 20 0 BGADHN C[C@]1(CNCc2cccc(F)c2F)CC1(F)F ZINC000657666106 411577896 /nfs/dbraw/zinc/57/78/96/411577896.db2.gz SVTPGNFCWVQBDT-LLVKDONJSA-N 0 3 247.235 3.100 20 0 BGADHN C[C@@]1(CNCc2cccc(F)c2F)CC1(F)F ZINC000657666107 411578022 /nfs/dbraw/zinc/57/80/22/411578022.db2.gz SVTPGNFCWVQBDT-NSHDSACASA-N 0 3 247.235 3.100 20 0 BGADHN COc1cc(C)nc(CNCCCC2CCC2)c1 ZINC000657666445 411578031 /nfs/dbraw/zinc/57/80/31/411578031.db2.gz LEMLLDNGZOJSHX-UHFFFAOYSA-N 0 3 248.370 3.069 20 0 BGADHN Cc1cnc(CNCCCC2CCC2)s1 ZINC000657666471 411578043 /nfs/dbraw/zinc/57/80/43/411578043.db2.gz LTJVXBKHYGYSRH-UHFFFAOYSA-N 0 3 224.373 3.121 20 0 BGADHN CCOc1cccc(CNCCCC2CCC2)n1 ZINC000657666489 411578121 /nfs/dbraw/zinc/57/81/21/411578121.db2.gz MIUFMLXVOROCMY-UHFFFAOYSA-N 0 3 248.370 3.150 20 0 BGADHN Cc1cccc(CNC[C@@]2(C)CC2(F)F)c1F ZINC000657666539 411578040 /nfs/dbraw/zinc/57/80/40/411578040.db2.gz QEQUGASLJZEMGL-GFCCVEGCSA-N 0 3 243.272 3.269 20 0 BGADHN Cc1cccc(CNC[C@]2(C)CC2(F)F)c1F ZINC000657666540 411577827 /nfs/dbraw/zinc/57/78/27/411577827.db2.gz QEQUGASLJZEMGL-LBPRGKRZSA-N 0 3 243.272 3.269 20 0 BGADHN Cc1ccc(CNC[C@@]2(C)CC2(F)F)cc1F ZINC000657666549 411577644 /nfs/dbraw/zinc/57/76/44/411577644.db2.gz ULBDYIYQAIKOSJ-GFCCVEGCSA-N 0 3 243.272 3.269 20 0 BGADHN Cc1ccc(CNC[C@]2(C)CC2(F)F)cc1F ZINC000657666551 411577811 /nfs/dbraw/zinc/57/78/11/411577811.db2.gz ULBDYIYQAIKOSJ-LBPRGKRZSA-N 0 3 243.272 3.269 20 0 BGADHN Cc1ccc(CNCCCC2CCC2)o1 ZINC000657666675 411577962 /nfs/dbraw/zinc/57/79/62/411577962.db2.gz RPMMQVPNHQZXCT-UHFFFAOYSA-N 0 3 207.317 3.258 20 0 BGADHN Cc1ccc(F)c(CNC[C@@]2(C)CC2(F)F)c1 ZINC000657667020 411573009 /nfs/dbraw/zinc/57/30/09/411573009.db2.gz WJEZLQBBRWHTRN-GFCCVEGCSA-N 0 3 243.272 3.269 20 0 BGADHN Cc1ccc(F)c(CNC[C@]2(C)CC2(F)F)c1 ZINC000657667021 411573212 /nfs/dbraw/zinc/57/32/12/411573212.db2.gz WJEZLQBBRWHTRN-LBPRGKRZSA-N 0 3 243.272 3.269 20 0 BGADHN C[C@]1(CNCc2cc(F)cc(F)c2)CC1(F)F ZINC000657667034 411573184 /nfs/dbraw/zinc/57/31/84/411573184.db2.gz XAVULUUILIJYKX-LLVKDONJSA-N 0 3 247.235 3.100 20 0 BGADHN C[C@@]1(CNCc2cc(F)cc(F)c2)CC1(F)F ZINC000657667035 411573041 /nfs/dbraw/zinc/57/30/41/411573041.db2.gz XAVULUUILIJYKX-NSHDSACASA-N 0 3 247.235 3.100 20 0 BGADHN CC(C)Cn1nccc1CNCCCC1CCC1 ZINC000657667387 411573210 /nfs/dbraw/zinc/57/32/10/411573210.db2.gz QFUBIWJCXRQOQS-UHFFFAOYSA-N 0 3 249.402 3.209 20 0 BGADHN CCc1nc(CNCCCC2CCC2)cs1 ZINC000657667414 411573427 /nfs/dbraw/zinc/57/34/27/411573427.db2.gz QNELHRJZBXFFLI-UHFFFAOYSA-N 0 3 238.400 3.375 20 0 BGADHN c1c(CNCCCC2CCC2)nc2ccccn12 ZINC000657667537 411573363 /nfs/dbraw/zinc/57/33/63/411573363.db2.gz VJDMASGZSBKGBM-UHFFFAOYSA-N 0 3 243.354 3.004 20 0 BGADHN Cc1cc(CNC[C@]2(C)CC2(F)F)cs1 ZINC000657667546 411573180 /nfs/dbraw/zinc/57/31/80/411573180.db2.gz VKEKJISAORPOIW-JTQLQIEISA-N 0 3 231.311 3.191 20 0 BGADHN Cc1sccc1CNC[C@@H]1CCC[C@H](C)O1 ZINC000657667547 411573066 /nfs/dbraw/zinc/57/30/66/411573066.db2.gz AERONRDXDCGPIB-GWCFXTLKSA-N 0 3 239.384 3.104 20 0 BGADHN Cc1sccc1CNC[C@H]1CCC[C@H](C)O1 ZINC000657667549 411573100 /nfs/dbraw/zinc/57/31/00/411573100.db2.gz AERONRDXDCGPIB-GXFFZTMASA-N 0 3 239.384 3.104 20 0 BGADHN Cc1sccc1CNC[C@@H]1CCC[C@@H](C)O1 ZINC000657667551 411573313 /nfs/dbraw/zinc/57/33/13/411573313.db2.gz AERONRDXDCGPIB-MFKMUULPSA-N 0 3 239.384 3.104 20 0 BGADHN Cc1sccc1CNC[C@H]1CCC[C@@H](C)O1 ZINC000657667553 411573145 /nfs/dbraw/zinc/57/31/45/411573145.db2.gz AERONRDXDCGPIB-ZWNOBZJWSA-N 0 3 239.384 3.104 20 0 BGADHN Cc1cc(CNC[C@@]2(C)CC2(F)F)cs1 ZINC000657667556 411573170 /nfs/dbraw/zinc/57/31/70/411573170.db2.gz VKEKJISAORPOIW-SNVBAGLBSA-N 0 3 231.311 3.191 20 0 BGADHN C[C@]1(CNCc2ccccc2Cl)CC1(F)F ZINC000657667562 411573070 /nfs/dbraw/zinc/57/30/70/411573070.db2.gz AHEFRIUONJQJRK-LLVKDONJSA-N 0 3 245.700 3.475 20 0 BGADHN C[C@@]1(CNCc2ccccc2Cl)CC1(F)F ZINC000657667565 411573155 /nfs/dbraw/zinc/57/31/55/411573155.db2.gz AHEFRIUONJQJRK-NSHDSACASA-N 0 3 245.700 3.475 20 0 BGADHN C[C@]1(CNCc2cccc(Cl)c2)CC1(F)F ZINC000657667674 411573158 /nfs/dbraw/zinc/57/31/58/411573158.db2.gz BJYBEWUAMFWCSM-LLVKDONJSA-N 0 3 245.700 3.475 20 0 BGADHN C[C@@]1(CNCc2cccc(Cl)c2)CC1(F)F ZINC000657667676 411573135 /nfs/dbraw/zinc/57/31/35/411573135.db2.gz BJYBEWUAMFWCSM-NSHDSACASA-N 0 3 245.700 3.475 20 0 BGADHN Cc1ccoc1CNCCCC1CCC1 ZINC000657667965 411573586 /nfs/dbraw/zinc/57/35/86/411573586.db2.gz VMCSAFJCUQSSDD-UHFFFAOYSA-N 0 3 207.317 3.258 20 0 BGADHN Cc1ccc(CNCCCC2CCC2)nc1 ZINC000657668529 411574032 /nfs/dbraw/zinc/57/40/32/411574032.db2.gz ZKWWEDLJCYRWLD-UHFFFAOYSA-N 0 3 218.344 3.060 20 0 BGADHN C[C@@H]1CCC[C@@H](CNC/C=C/c2ccccc2)O1 ZINC000657668578 411573963 /nfs/dbraw/zinc/57/39/63/411573963.db2.gz YUUBNVVQCGXCJI-DGNXDGCUSA-N 0 3 245.366 3.247 20 0 BGADHN C[C@@H]1CCC[C@@H](CNC/C=C\c2ccccc2)O1 ZINC000657668579 411573860 /nfs/dbraw/zinc/57/38/60/411573860.db2.gz YUUBNVVQCGXCJI-MWGCNAMGSA-N 0 3 245.366 3.247 20 0 BGADHN C[C@@H]1CCC[C@H](CNC/C=C\c2ccccc2)O1 ZINC000657668580 411573594 /nfs/dbraw/zinc/57/35/94/411573594.db2.gz YUUBNVVQCGXCJI-WNTKCETOSA-N 0 3 245.366 3.247 20 0 BGADHN C[C@@H]1CCC[C@H](CNC/C=C/c2ccccc2)O1 ZINC000657668581 411573830 /nfs/dbraw/zinc/57/38/30/411573830.db2.gz YUUBNVVQCGXCJI-YHOLHYGNSA-N 0 3 245.366 3.247 20 0 BGADHN C[C@]1(CNCc2cc(F)ccc2F)CC1(F)F ZINC000657668832 411573976 /nfs/dbraw/zinc/57/39/76/411573976.db2.gz IHXNLNHVXNQKQQ-LLVKDONJSA-N 0 3 247.235 3.100 20 0 BGADHN C[C@@]1(CNCc2cc(F)ccc2F)CC1(F)F ZINC000657668834 411573986 /nfs/dbraw/zinc/57/39/86/411573986.db2.gz IHXNLNHVXNQKQQ-NSHDSACASA-N 0 3 247.235 3.100 20 0 BGADHN C[C@]1(CNCc2ccc(Cl)cc2)CC1(F)F ZINC000657669256 411574040 /nfs/dbraw/zinc/57/40/40/411574040.db2.gz MDTAKLMQCADJQF-LLVKDONJSA-N 0 3 245.700 3.475 20 0 BGADHN C[C@@]1(CNCc2ccc(Cl)cc2)CC1(F)F ZINC000657669258 411573973 /nfs/dbraw/zinc/57/39/73/411573973.db2.gz MDTAKLMQCADJQF-NSHDSACASA-N 0 3 245.700 3.475 20 0 BGADHN Cc1cc(CNC[C@@H]2CCC[C@H](C)O2)cs1 ZINC000657669530 411574779 /nfs/dbraw/zinc/57/47/79/411574779.db2.gz NBNLPKWPBBMPNA-GWCFXTLKSA-N 0 3 239.384 3.104 20 0 BGADHN Cc1cc(CNC[C@H]2CCC[C@H](C)O2)cs1 ZINC000657669531 411574761 /nfs/dbraw/zinc/57/47/61/411574761.db2.gz NBNLPKWPBBMPNA-GXFFZTMASA-N 0 3 239.384 3.104 20 0 BGADHN Cc1cc(CNC[C@@H]2CCC[C@@H](C)O2)cs1 ZINC000657669532 411574407 /nfs/dbraw/zinc/57/44/07/411574407.db2.gz NBNLPKWPBBMPNA-MFKMUULPSA-N 0 3 239.384 3.104 20 0 BGADHN Cc1cc(CNC[C@H]2CCC[C@@H](C)O2)cs1 ZINC000657669533 411574747 /nfs/dbraw/zinc/57/47/47/411574747.db2.gz NBNLPKWPBBMPNA-ZWNOBZJWSA-N 0 3 239.384 3.104 20 0 BGADHN C[C@]1(CNCc2ccc(F)cc2F)CC1(F)F ZINC000657669710 411574797 /nfs/dbraw/zinc/57/47/97/411574797.db2.gz OUMTYTXPTXRYAW-LLVKDONJSA-N 0 3 247.235 3.100 20 0 BGADHN C[C@@]1(CNCc2ccc(F)cc2F)CC1(F)F ZINC000657669711 411574593 /nfs/dbraw/zinc/57/45/93/411574593.db2.gz OUMTYTXPTXRYAW-NSHDSACASA-N 0 3 247.235 3.100 20 0 BGADHN C[C@]1(CNCc2ccc(Cl)o2)CC1(F)F ZINC000657669765 411574774 /nfs/dbraw/zinc/57/47/74/411574774.db2.gz QHQUMTMCXJTCGY-SECBINFHSA-N 0 3 235.661 3.068 20 0 BGADHN C[C@@]1(CNCc2ccc(Cl)o2)CC1(F)F ZINC000657669766 411574681 /nfs/dbraw/zinc/57/46/81/411574681.db2.gz QHQUMTMCXJTCGY-VIFPVBQESA-N 0 3 235.661 3.068 20 0 BGADHN Cc1ccoc1CNCC[C@]1(C)CC1(F)F ZINC000657670212 411574787 /nfs/dbraw/zinc/57/47/87/411574787.db2.gz CZVXHYQMGKEBDA-LLVKDONJSA-N 0 3 229.270 3.113 20 0 BGADHN Cc1ccoc1CNCC[C@@]1(C)CC1(F)F ZINC000657670213 411574456 /nfs/dbraw/zinc/57/44/56/411574456.db2.gz CZVXHYQMGKEBDA-NSHDSACASA-N 0 3 229.270 3.113 20 0 BGADHN C[C@]1(CNCc2ccc(F)c(F)c2)CC1(F)F ZINC000657670409 411574719 /nfs/dbraw/zinc/57/47/19/411574719.db2.gz UXZYAWBBGRDTSR-LLVKDONJSA-N 0 3 247.235 3.100 20 0 BGADHN C[C@@]1(CNCc2ccc(F)c(F)c2)CC1(F)F ZINC000657670411 411574636 /nfs/dbraw/zinc/57/46/36/411574636.db2.gz UXZYAWBBGRDTSR-NSHDSACASA-N 0 3 247.235 3.100 20 0 BGADHN CCc1ccc(CNCC[C@]2(C)CC2(F)F)o1 ZINC000657671341 411575205 /nfs/dbraw/zinc/57/52/05/411575205.db2.gz NUHJBWWWDLMIQS-GFCCVEGCSA-N 0 3 243.297 3.367 20 0 BGADHN CCc1ccc(CNCC[C@@]2(C)CC2(F)F)o1 ZINC000657671342 411575443 /nfs/dbraw/zinc/57/54/43/411575443.db2.gz NUHJBWWWDLMIQS-LBPRGKRZSA-N 0 3 243.297 3.367 20 0 BGADHN Cc1ccc(CNCC[C@]2(C)CC2(F)F)o1 ZINC000657671350 411575264 /nfs/dbraw/zinc/57/52/64/411575264.db2.gz NWOXWYQWOZADIC-LLVKDONJSA-N 0 3 229.270 3.113 20 0 BGADHN Cc1ccc(CNCC[C@@]2(C)CC2(F)F)o1 ZINC000657671351 411575225 /nfs/dbraw/zinc/57/52/25/411575225.db2.gz NWOXWYQWOZADIC-NSHDSACASA-N 0 3 229.270 3.113 20 0 BGADHN C[C@@]1(CCNCc2ccccc2F)CC1(F)F ZINC000657671361 411575333 /nfs/dbraw/zinc/57/53/33/411575333.db2.gz NYEAGIGGGFQALL-GFCCVEGCSA-N 0 3 243.272 3.351 20 0 BGADHN C[C@]1(CCNCc2ccccc2F)CC1(F)F ZINC000657671362 411575135 /nfs/dbraw/zinc/57/51/35/411575135.db2.gz NYEAGIGGGFQALL-LBPRGKRZSA-N 0 3 243.272 3.351 20 0 BGADHN C[C@]1(CCNCc2ccc(Cl)o2)CC1(F)F ZINC000657671467 411575491 /nfs/dbraw/zinc/57/54/91/411575491.db2.gz PDLJYQIHXWJOOS-JTQLQIEISA-N 0 3 249.688 3.458 20 0 BGADHN C[C@@]1(CCNCc2ccc(Cl)o2)CC1(F)F ZINC000657671468 411575350 /nfs/dbraw/zinc/57/53/50/411575350.db2.gz PDLJYQIHXWJOOS-SNVBAGLBSA-N 0 3 249.688 3.458 20 0 BGADHN CC[C@@H](NCc1ccc(F)c(F)c1F)C1CC1 ZINC000657682118 411577771 /nfs/dbraw/zinc/57/77/71/411577771.db2.gz VIUXRCQPVXIHJB-LLVKDONJSA-N 0 3 243.272 3.382 20 0 BGADHN CC[C@H](NCc1ccc(F)c(F)c1F)C1CC1 ZINC000657682120 411578010 /nfs/dbraw/zinc/57/80/10/411578010.db2.gz VIUXRCQPVXIHJB-NSHDSACASA-N 0 3 243.272 3.382 20 0 BGADHN CC[C@H](NCc1cc(OC)ccc1F)C1CC1 ZINC000657682388 411578394 /nfs/dbraw/zinc/57/83/94/411578394.db2.gz YNAKTDVJZNTYTK-AWEZNQCLSA-N 0 3 237.318 3.113 20 0 BGADHN CC[C@@H](NCc1cc(OC)ccc1F)C1CC1 ZINC000657682390 411578669 /nfs/dbraw/zinc/57/86/69/411578669.db2.gz YNAKTDVJZNTYTK-CQSZACIVSA-N 0 3 237.318 3.113 20 0 BGADHN CC[C@](C)(NCc1cn2ccccc2n1)C1CC1 ZINC000657686895 411578709 /nfs/dbraw/zinc/57/87/09/411578709.db2.gz DZMABXJCIKWWBI-HNNXBMFYSA-N 0 3 243.354 3.003 20 0 BGADHN CC[C@@](C)(NCc1cn2ccccc2n1)C1CC1 ZINC000657686897 411578351 /nfs/dbraw/zinc/57/83/51/411578351.db2.gz DZMABXJCIKWWBI-OAHLLOKOSA-N 0 3 243.354 3.003 20 0 BGADHN CC[C@](C)(NCc1nccn1C(C)C)C1CC1 ZINC000657689528 411579297 /nfs/dbraw/zinc/57/92/97/411579297.db2.gz PZCWGIOCDYURDS-AWEZNQCLSA-N 0 3 235.375 3.132 20 0 BGADHN CC[C@@](C)(NCc1nccn1C(C)C)C1CC1 ZINC000657689531 411579440 /nfs/dbraw/zinc/57/94/40/411579440.db2.gz PZCWGIOCDYURDS-CQSZACIVSA-N 0 3 235.375 3.132 20 0 BGADHN CCc1cnc(CN[C@](C)(CC)C2CC2)s1 ZINC000657690117 411579472 /nfs/dbraw/zinc/57/94/72/411579472.db2.gz SPGLLJJRNPFITL-CYBMUJFWSA-N 0 3 238.400 3.374 20 0 BGADHN CCc1cnc(CN[C@@](C)(CC)C2CC2)s1 ZINC000657690120 411579268 /nfs/dbraw/zinc/57/92/68/411579268.db2.gz SPGLLJJRNPFITL-ZDUSSCGKSA-N 0 3 238.400 3.374 20 0 BGADHN CC[C@@](C)(NCc1csc(C)n1)C1CC1 ZINC000657690201 411579132 /nfs/dbraw/zinc/57/91/32/411579132.db2.gz UDRRJSNLPWQFQT-GFCCVEGCSA-N 0 3 224.373 3.120 20 0 BGADHN CC[C@](C)(NCc1csc(C)n1)C1CC1 ZINC000657690203 411579305 /nfs/dbraw/zinc/57/93/05/411579305.db2.gz UDRRJSNLPWQFQT-LBPRGKRZSA-N 0 3 224.373 3.120 20 0 BGADHN CCc1nc(CN[C@](C)(CC)C2CC2)cs1 ZINC000657690500 411579369 /nfs/dbraw/zinc/57/93/69/411579369.db2.gz VTMZLOVPZGQWHN-CYBMUJFWSA-N 0 3 238.400 3.374 20 0 BGADHN CCc1nc(CN[C@@](C)(CC)C2CC2)cs1 ZINC000657690503 411578983 /nfs/dbraw/zinc/57/89/83/411578983.db2.gz VTMZLOVPZGQWHN-ZDUSSCGKSA-N 0 3 238.400 3.374 20 0 BGADHN CC[C@@](C)(NCc1ncc(C)s1)C1CC1 ZINC000657691267 411578963 /nfs/dbraw/zinc/57/89/63/411578963.db2.gz ZKACSBWTZILDMY-GFCCVEGCSA-N 0 3 224.373 3.120 20 0 BGADHN CC[C@](C)(NCc1ncc(C)s1)C1CC1 ZINC000657691268 411579072 /nfs/dbraw/zinc/57/90/72/411579072.db2.gz ZKACSBWTZILDMY-LBPRGKRZSA-N 0 3 224.373 3.120 20 0 BGADHN CC[C@@](C)(NCc1ncc(Cl)s1)C1CC1 ZINC000657691273 411579153 /nfs/dbraw/zinc/57/91/53/411579153.db2.gz ZKTNMTBPULEUTO-LLVKDONJSA-N 0 3 244.791 3.465 20 0 BGADHN CC[C@](C)(NCc1ncc(Cl)s1)C1CC1 ZINC000657691274 411579057 /nfs/dbraw/zinc/57/90/57/411579057.db2.gz ZKTNMTBPULEUTO-NSHDSACASA-N 0 3 244.791 3.465 20 0 BGADHN Oc1ccc2c(c1)[C@@H](NCc1cccs1)CC2 ZINC000657691606 411578968 /nfs/dbraw/zinc/57/89/68/411578968.db2.gz HPJIGZPZMSDVPP-AWEZNQCLSA-N 0 3 245.347 3.231 20 0 BGADHN Oc1ccc2c(c1)[C@H](NCc1cccs1)CC2 ZINC000657691607 411579187 /nfs/dbraw/zinc/57/91/87/411579187.db2.gz HPJIGZPZMSDVPP-CQSZACIVSA-N 0 3 245.347 3.231 20 0 BGADHN c1coc(CN[C@@H]2CC[C@@H]2c2ccccc2)c1 ZINC000657713313 411586558 /nfs/dbraw/zinc/58/65/58/411586558.db2.gz CXOKDYLXGWOQHN-HUUCEWRRSA-N 0 3 227.307 3.315 20 0 BGADHN c1ccc([C@H]2CC[C@H]2NCc2ccccn2)cc1 ZINC000657713892 411582437 /nfs/dbraw/zinc/58/24/37/411582437.db2.gz KYXBTEQCRINGPX-HZPDHXFCSA-N 0 3 238.334 3.117 20 0 BGADHN c1ncc(CN[C@@H]2CC[C@@H]2c2ccccc2)s1 ZINC000657714124 411586627 /nfs/dbraw/zinc/58/66/27/411586627.db2.gz SFBGAZPGEUVHEA-ZIAGYGMSSA-N 0 3 244.363 3.179 20 0 BGADHN c1csc(CN[C@@H]2CC[C@@H]2c2ccccc2)n1 ZINC000657714343 411586386 /nfs/dbraw/zinc/58/63/86/411586386.db2.gz WOGQQJXEGHCTOQ-CHWSQXEVSA-N 0 3 244.363 3.179 20 0 BGADHN Cc1nocc1CN[C@@H]1CC[C@@H]1c1ccccc1 ZINC000657714848 411586343 /nfs/dbraw/zinc/58/63/43/411586343.db2.gz FHLPFWOJSGQIIE-HUUCEWRRSA-N 0 3 242.322 3.019 20 0 BGADHN FC1(F)CC12CCC(NCc1ccco1)CC2 ZINC000657716285 411586762 /nfs/dbraw/zinc/58/67/62/411586762.db2.gz RDLPPJBARAOUAV-UHFFFAOYSA-N 0 3 241.281 3.337 20 0 BGADHN Fc1cc(Cl)ccc1CN[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000657733535 411587341 /nfs/dbraw/zinc/58/73/41/411587341.db2.gz HVVWNQHDEBCPPA-PTEHBNRSSA-N 0 3 239.721 3.367 20 0 BGADHN c1ccc2c(c1)ccnc2CN[C@H]1[C@@H]2CCC[C@@H]21 ZINC000657733564 411586987 /nfs/dbraw/zinc/58/69/87/411586987.db2.gz JOTAVHGZFIPNDN-FOLVSLTJSA-N 0 3 238.334 3.123 20 0 BGADHN c1ccc2c(c1)ccnc2CN[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000657733565 411586994 /nfs/dbraw/zinc/58/69/94/411586994.db2.gz JOTAVHGZFIPNDN-MIFYACCESA-N 0 3 238.334 3.123 20 0 BGADHN Clc1cscc1CN[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000657733752 411587136 /nfs/dbraw/zinc/58/71/36/411587136.db2.gz NBYFUUYMHJDACQ-DOFRTFSJSA-N 0 3 227.760 3.290 20 0 BGADHN C[C@@H]1C[C@H]1c1ccc(CN[C@H]2[C@@H]3CCC[C@@H]32)o1 ZINC000657736435 411587822 /nfs/dbraw/zinc/58/78/22/411587822.db2.gz CVJSFQMQEWBBLW-APACUCGBSA-N 0 3 231.339 3.291 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CN[C@@H]2[C@@H]3CCC[C@@H]32)o1 ZINC000657736436 411587747 /nfs/dbraw/zinc/58/77/47/411587747.db2.gz CVJSFQMQEWBBLW-GOGITYCRSA-N 0 3 231.339 3.291 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CN[C@H]2[C@@H]3CCC[C@@H]32)o1 ZINC000657736437 411587776 /nfs/dbraw/zinc/58/77/76/411587776.db2.gz CVJSFQMQEWBBLW-PYISLEMLSA-N 0 3 231.339 3.291 20 0 BGADHN C[C@@H]1C[C@H]1c1ccc(CN[C@@H]2[C@@H]3CCC[C@@H]32)o1 ZINC000657736438 411587719 /nfs/dbraw/zinc/58/77/19/411587719.db2.gz CVJSFQMQEWBBLW-VWKSAYTASA-N 0 3 231.339 3.291 20 0 BGADHN CC1(C)[C@@H](CNCc2ccsc2)C1(F)F ZINC000657736506 411588055 /nfs/dbraw/zinc/58/80/55/411588055.db2.gz LLMLBLNLRSPRBY-SECBINFHSA-N 0 3 231.311 3.129 20 0 BGADHN CC1(C)[C@H](CNCc2ccsc2)C1(F)F ZINC000657736507 411588037 /nfs/dbraw/zinc/58/80/37/411588037.db2.gz LLMLBLNLRSPRBY-VIFPVBQESA-N 0 3 231.311 3.129 20 0 BGADHN CC1(C)[C@@H](CNCc2cccc(F)c2)C1(F)F ZINC000657736523 411588023 /nfs/dbraw/zinc/58/80/23/411588023.db2.gz LXHIUMXPDJBNJL-LLVKDONJSA-N 0 3 243.272 3.207 20 0 BGADHN CC1(C)[C@H](CNCc2cccc(F)c2)C1(F)F ZINC000657736525 411588367 /nfs/dbraw/zinc/58/83/67/411588367.db2.gz LXHIUMXPDJBNJL-NSHDSACASA-N 0 3 243.272 3.207 20 0 BGADHN CC1(C)[C@@H](CNCc2ccccc2F)C1(F)F ZINC000657736573 411588291 /nfs/dbraw/zinc/58/82/91/411588291.db2.gz MNFWFILITVRULA-LLVKDONJSA-N 0 3 243.272 3.207 20 0 BGADHN CC1(C)[C@H](CNCc2ccccc2F)C1(F)F ZINC000657736575 411588208 /nfs/dbraw/zinc/58/82/08/411588208.db2.gz MNFWFILITVRULA-NSHDSACASA-N 0 3 243.272 3.207 20 0 BGADHN CCc1ccc(CNC[C@@H]2C(C)(C)C2(F)F)o1 ZINC000657736888 411588276 /nfs/dbraw/zinc/58/82/76/411588276.db2.gz GRIWIMXLFGKAPU-LLVKDONJSA-N 0 3 243.297 3.223 20 0 BGADHN CCc1ccc(CNC[C@H]2C(C)(C)C2(F)F)o1 ZINC000657736890 411588421 /nfs/dbraw/zinc/58/84/21/411588421.db2.gz GRIWIMXLFGKAPU-NSHDSACASA-N 0 3 243.297 3.223 20 0 BGADHN CC1(C)[C@@H](CNCc2ccc(Cl)o2)C1(F)F ZINC000657738013 411588190 /nfs/dbraw/zinc/58/81/90/411588190.db2.gz XZHNLILGTQAXEV-MRVPVSSYSA-N 0 3 249.688 3.314 20 0 BGADHN CC1(C)[C@H](CNCc2ccc(Cl)o2)C1(F)F ZINC000657738014 411588305 /nfs/dbraw/zinc/58/83/05/411588305.db2.gz XZHNLILGTQAXEV-QMMMGPOBSA-N 0 3 249.688 3.314 20 0 BGADHN CC1(C)[C@@H](CNCc2ccc(F)cc2)C1(F)F ZINC000657738112 411588237 /nfs/dbraw/zinc/58/82/37/411588237.db2.gz ZSHBWEXXHYAUOI-LLVKDONJSA-N 0 3 243.272 3.207 20 0 BGADHN CC1(C)[C@H](CNCc2ccc(F)cc2)C1(F)F ZINC000657738113 411588096 /nfs/dbraw/zinc/58/80/96/411588096.db2.gz ZSHBWEXXHYAUOI-NSHDSACASA-N 0 3 243.272 3.207 20 0 BGADHN Cc1sccc1CNC[C@H]1C(C)(C)C1(F)F ZINC000657738572 411589142 /nfs/dbraw/zinc/58/91/42/411589142.db2.gz LYSCZYDADBDAOL-JTQLQIEISA-N 0 3 245.338 3.437 20 0 BGADHN Cc1sccc1CNC[C@@H]1C(C)(C)C1(F)F ZINC000657738573 411589030 /nfs/dbraw/zinc/58/90/30/411589030.db2.gz LYSCZYDADBDAOL-SNVBAGLBSA-N 0 3 245.338 3.437 20 0 BGADHN Cc1cc(CNC[C@H]2C(C)(C)C2(F)F)cs1 ZINC000657739425 411588709 /nfs/dbraw/zinc/58/87/09/411588709.db2.gz SVBHVGNSMNLCLV-JTQLQIEISA-N 0 3 245.338 3.437 20 0 BGADHN Cc1cc(CNC[C@@H]2C(C)(C)C2(F)F)cs1 ZINC000657739597 411588588 /nfs/dbraw/zinc/58/85/88/411588588.db2.gz SVBHVGNSMNLCLV-SNVBAGLBSA-N 0 3 245.338 3.437 20 0 BGADHN C[C@@H](NCc1cscn1)C1CCC(F)CC1 ZINC000657743366 411589667 /nfs/dbraw/zinc/58/96/67/411589667.db2.gz HXSNPYRUBQUKKZ-KPPDAEKUSA-N 0 3 242.363 3.150 20 0 BGADHN C[C@H](NCc1cscn1)C1CCC(F)CC1 ZINC000657743374 411589793 /nfs/dbraw/zinc/58/97/93/411589793.db2.gz HXSNPYRUBQUKKZ-WHXUTIOJSA-N 0 3 242.363 3.150 20 0 BGADHN C[C@@H](NCc1nccs1)C1CCC(F)CC1 ZINC000657743774 411589543 /nfs/dbraw/zinc/58/95/43/411589543.db2.gz JXUGIBBWZCHFCU-KPPDAEKUSA-N 0 3 242.363 3.150 20 0 BGADHN C[C@H](NCc1nccs1)C1CCC(F)CC1 ZINC000657743776 411589663 /nfs/dbraw/zinc/58/96/63/411589663.db2.gz JXUGIBBWZCHFCU-WHXUTIOJSA-N 0 3 242.363 3.150 20 0 BGADHN CCOc1ccc(CNCC2=CCCC2)cc1 ZINC000657747942 411591961 /nfs/dbraw/zinc/59/19/61/411591961.db2.gz BFHHJAQSRXEOAW-UHFFFAOYSA-N 0 3 231.339 3.285 20 0 BGADHN COc1ccccc1/C=C\CNCC1=CCCC1 ZINC000657748033 411592295 /nfs/dbraw/zinc/59/22/95/411592295.db2.gz CJPGSGMPPLXSOM-POHAHGRESA-N 0 3 243.350 3.408 20 0 BGADHN COc1ccccc1/C=C/CNCC1=CCCC1 ZINC000657748035 411592290 /nfs/dbraw/zinc/59/22/90/411592290.db2.gz CJPGSGMPPLXSOM-UXBLZVDNSA-N 0 3 243.350 3.408 20 0 BGADHN C1=C(CNCc2ccc3ncccc3c2)CCC1 ZINC000657748043 411592335 /nfs/dbraw/zinc/59/23/35/411592335.db2.gz CKIQWTLZUVWTQX-UHFFFAOYSA-N 0 3 238.334 3.435 20 0 BGADHN COc1ccc(CNCC2=CCCC2)cc1F ZINC000657748659 411592405 /nfs/dbraw/zinc/59/24/05/411592405.db2.gz KSUPDHRKPOVUPX-UHFFFAOYSA-N 0 3 235.302 3.034 20 0 BGADHN Cc1cc(F)ccc1CNCC1=CCCC1 ZINC000657749079 411592601 /nfs/dbraw/zinc/59/26/01/411592601.db2.gz RURSQTCSCQYCOL-UHFFFAOYSA-N 0 3 219.303 3.334 20 0 BGADHN CCOc1ccccc1CNCC1=CCCC1 ZINC000657749331 411592013 /nfs/dbraw/zinc/59/20/13/411592013.db2.gz VRKHXIWGWBZENC-UHFFFAOYSA-N 0 3 231.339 3.285 20 0 BGADHN C(=C/c1ccccc1)\CNCC1=CCCC1 ZINC000657749373 411592603 /nfs/dbraw/zinc/59/26/03/411592603.db2.gz WNYVCTDQEJSLRV-IZZDOVSWSA-N 0 3 213.324 3.400 20 0 BGADHN C(=C\c1ccccc1)\CNCC1=CCCC1 ZINC000657749374 411592539 /nfs/dbraw/zinc/59/25/39/411592539.db2.gz WNYVCTDQEJSLRV-WDZFZDKYSA-N 0 3 213.324 3.400 20 0 BGADHN COc1ccc(CNCC2=CCCC2)c(F)c1 ZINC000657749418 411592009 /nfs/dbraw/zinc/59/20/09/411592009.db2.gz BZXCXRAQEVZXOY-UHFFFAOYSA-N 0 3 235.302 3.034 20 0 BGADHN Cc1ccc(CNCC2=CCCC2)cc1F ZINC000657749449 411592408 /nfs/dbraw/zinc/59/24/08/411592408.db2.gz DEFWROQPVBQZHK-UHFFFAOYSA-N 0 3 219.303 3.334 20 0 BGADHN CCCn1nc(C)c(CNCC2=CCCC2)c1C ZINC000657749452 411592032 /nfs/dbraw/zinc/59/20/32/411592032.db2.gz DGDTVVMVBZYSBR-UHFFFAOYSA-N 0 3 247.386 3.110 20 0 BGADHN COc1ccc(C)cc1CNCC1=CCCC1 ZINC000657749558 411592535 /nfs/dbraw/zinc/59/25/35/411592535.db2.gz YJXCALPTPFOUEK-UHFFFAOYSA-N 0 3 231.339 3.204 20 0 BGADHN C1=C(CNCC2=Cc3ccccc3OC2)CCC1 ZINC000657749625 411592071 /nfs/dbraw/zinc/59/20/71/411592071.db2.gz ZMRYPRSVNOLURE-UHFFFAOYSA-N 0 3 241.334 3.162 20 0 BGADHN C1=C(CNCc2nccc3ccccc32)CCC1 ZINC000657749652 411592127 /nfs/dbraw/zinc/59/21/27/411592127.db2.gz IGDISBWNVHKYEA-UHFFFAOYSA-N 0 3 238.334 3.435 20 0 BGADHN Cc1ccc(F)c(CNCC2=CCCC2)c1 ZINC000657749660 411592369 /nfs/dbraw/zinc/59/23/69/411592369.db2.gz ISABLANGFIKSDQ-UHFFFAOYSA-N 0 3 219.303 3.334 20 0 BGADHN COCc1csc(CNCC2=CCCC2)c1 ZINC000657749705 411592567 /nfs/dbraw/zinc/59/25/67/411592567.db2.gz JRWLOJPQZYGBBG-UHFFFAOYSA-N 0 3 237.368 3.094 20 0 BGADHN COc1cc(C)ccc1CNCC1=CCCC1 ZINC000657749706 411592185 /nfs/dbraw/zinc/59/21/85/411592185.db2.gz JSJWMGOWGIAHEL-UHFFFAOYSA-N 0 3 231.339 3.204 20 0 BGADHN c1c2cnccc2oc1CNCC1=CCCC1 ZINC000657749729 411591938 /nfs/dbraw/zinc/59/19/38/411591938.db2.gz KQVPPKVWYZREBE-UHFFFAOYSA-N 0 3 228.295 3.028 20 0 BGADHN c1c2cccnc2oc1CNCC1=CCCC1 ZINC000657749731 411592494 /nfs/dbraw/zinc/59/24/94/411592494.db2.gz KVKSHQZZGGBAGD-UHFFFAOYSA-N 0 3 228.295 3.028 20 0 BGADHN Cc1cc(CNCC2=CCCC2)ccc1F ZINC000657749740 411591968 /nfs/dbraw/zinc/59/19/68/411591968.db2.gz LELYLPMEZSTHPF-UHFFFAOYSA-N 0 3 219.303 3.334 20 0 BGADHN COc1cc(CNCC2=CCCC2)ccc1C ZINC000657749770 411592177 /nfs/dbraw/zinc/59/21/77/411592177.db2.gz MFCOWRBANXXPQP-UHFFFAOYSA-N 0 3 231.339 3.204 20 0 BGADHN COc1cccc(CNCC2=CCCC2)c1F ZINC000657749783 411592615 /nfs/dbraw/zinc/59/26/15/411592615.db2.gz MVHSEJFPKKNVBS-UHFFFAOYSA-N 0 3 235.302 3.034 20 0 BGADHN Cc1sccc1CNCC1=CCCC1 ZINC000657749816 411592377 /nfs/dbraw/zinc/59/23/77/411592377.db2.gz NZNLDRJMJTXTQU-UHFFFAOYSA-N 0 3 207.342 3.256 20 0 BGADHN c1nc(C2CC2)c(CNCC2=CCCC2)s1 ZINC000657749838 411592489 /nfs/dbraw/zinc/59/24/89/411592489.db2.gz PELOEKHEBHTTQI-UHFFFAOYSA-N 0 3 234.368 3.220 20 0 BGADHN c1c2ccccc2[nH]c1CNCC1=CCCC1 ZINC000657749840 411592051 /nfs/dbraw/zinc/59/20/51/411592051.db2.gz PFALWPDVYZVSAZ-UHFFFAOYSA-N 0 3 226.323 3.368 20 0 BGADHN Fc1cc(CNCC2=CCCC2)cc(F)c1F ZINC000657749851 411591951 /nfs/dbraw/zinc/59/19/51/411591951.db2.gz QDEYVENSEDMIDI-UHFFFAOYSA-N 0 3 241.256 3.304 20 0 BGADHN Fc1cccc(CNCC2=CCCC2)c1F ZINC000657749883 411592228 /nfs/dbraw/zinc/59/22/28/411592228.db2.gz RSXBCLNRKAIXEI-UHFFFAOYSA-N 0 3 223.266 3.165 20 0 BGADHN CCc1ccc(CNCC2=CCCC2)o1 ZINC000657749894 411592004 /nfs/dbraw/zinc/59/20/04/411592004.db2.gz SHTWOMJNJICQCT-UHFFFAOYSA-N 0 3 205.301 3.042 20 0 BGADHN COCc1ccc(CNCC2=CCCC2)cc1 ZINC000657749908 411592434 /nfs/dbraw/zinc/59/24/34/411592434.db2.gz SSIBSCQOAXJBME-UHFFFAOYSA-N 0 3 231.339 3.033 20 0 BGADHN Cc1ccc(F)cc1CNCC1=CCCC1 ZINC000657749934 411593008 /nfs/dbraw/zinc/59/30/08/411593008.db2.gz ULBKBJQTDZGECF-UHFFFAOYSA-N 0 3 219.303 3.334 20 0 BGADHN COc1ccc(F)c(CNCC2=CCCC2)c1 ZINC000657749952 411592730 /nfs/dbraw/zinc/59/27/30/411592730.db2.gz VFZPKNNEDPOSEZ-UHFFFAOYSA-N 0 3 235.302 3.034 20 0 BGADHN COc1ccc(F)cc1CNCC1=CCCC1 ZINC000657749963 411592836 /nfs/dbraw/zinc/59/28/36/411592836.db2.gz VQLJZIIWHVNHTD-UHFFFAOYSA-N 0 3 235.302 3.034 20 0 BGADHN COc1cc(F)cc(CNCC2=CCCC2)c1 ZINC000657749977 411593135 /nfs/dbraw/zinc/59/31/35/411593135.db2.gz WAUNKRRUKLXQEU-UHFFFAOYSA-N 0 3 235.302 3.034 20 0 BGADHN C1=C(CNCc2ccc3cnccc3c2)CCC1 ZINC000657749985 411592928 /nfs/dbraw/zinc/59/29/28/411592928.db2.gz WGCLWEQVNWLWCW-UHFFFAOYSA-N 0 3 238.334 3.435 20 0 BGADHN CCOc1ccc(CNCC2=CCCC2)cc1F ZINC000657749986 411593060 /nfs/dbraw/zinc/59/30/60/411593060.db2.gz WGHPZOKRLVMXTF-UHFFFAOYSA-N 0 3 249.329 3.424 20 0 BGADHN Cc1cccc(CNCC2=CCCC2)c1F ZINC000657750027 411592969 /nfs/dbraw/zinc/59/29/69/411592969.db2.gz XSHDBRQMARPINQ-UHFFFAOYSA-N 0 3 219.303 3.334 20 0 BGADHN Fc1cc(F)cc(CNCC2=CCCC2)c1 ZINC000657750048 411593239 /nfs/dbraw/zinc/59/32/39/411593239.db2.gz YGFOQFOUJRDYBN-UHFFFAOYSA-N 0 3 223.266 3.165 20 0 BGADHN c1nc(C2CC2)sc1CNCC1=CCCC1 ZINC000657750083 411593073 /nfs/dbraw/zinc/59/30/73/411593073.db2.gz ZNVBRZLECMGOTC-UHFFFAOYSA-N 0 3 234.368 3.220 20 0 BGADHN Cc1nocc1CNC1CC2(C1)CCCCC2 ZINC000657751258 411593198 /nfs/dbraw/zinc/59/31/98/411593198.db2.gz LDDYQIRFQSGKNP-UHFFFAOYSA-N 0 3 234.343 3.186 20 0 BGADHN CCn1nccc1CNC1CC2(C1)CCCCC2 ZINC000657752586 411592936 /nfs/dbraw/zinc/59/29/36/411592936.db2.gz SHHNGMSWXWIVNE-UHFFFAOYSA-N 0 3 247.386 3.106 20 0 BGADHN CC(C)n1ccnc1CNC(C)(C1CC1)C1CC1 ZINC000657755439 411590162 /nfs/dbraw/zinc/59/01/62/411590162.db2.gz HWTLYIJDBUARKM-UHFFFAOYSA-N 0 3 247.386 3.132 20 0 BGADHN Cc1nc(CNC(C)(C2CC2)C2CC2)cs1 ZINC000657755911 411590398 /nfs/dbraw/zinc/59/03/98/411590398.db2.gz NXBSCEBBUGPBHK-UHFFFAOYSA-N 0 3 236.384 3.120 20 0 BGADHN Cc1cnc(CNC(C)(C2CC2)C2CC2)s1 ZINC000657756593 411590165 /nfs/dbraw/zinc/59/01/65/411590165.db2.gz UUQXSVQWEFMWCP-UHFFFAOYSA-N 0 3 236.384 3.120 20 0 BGADHN CC1(C)C[C@@]1(C)NCc1ccc(F)c(F)c1 ZINC000657760069 411590911 /nfs/dbraw/zinc/59/09/11/411590911.db2.gz BEPITOYAYBYHDJ-CYBMUJFWSA-N 0 3 225.282 3.243 20 0 BGADHN CC1(C)C[C@]1(C)NCc1ccc(F)c(F)c1 ZINC000657760071 411590972 /nfs/dbraw/zinc/59/09/72/411590972.db2.gz BEPITOYAYBYHDJ-ZDUSSCGKSA-N 0 3 225.282 3.243 20 0 BGADHN CC1(C)C[C@@]1(C)NCc1cccc(F)c1 ZINC000657760482 411590853 /nfs/dbraw/zinc/59/08/53/411590853.db2.gz IVKZNVCTIWRLIJ-CYBMUJFWSA-N 0 3 207.292 3.104 20 0 BGADHN CC1(C)C[C@]1(C)NCc1cccc(F)c1 ZINC000657760483 411591103 /nfs/dbraw/zinc/59/11/03/411591103.db2.gz IVKZNVCTIWRLIJ-ZDUSSCGKSA-N 0 3 207.292 3.104 20 0 BGADHN CC1(C)C[C@@]1(C)NCc1ccc(Cl)o1 ZINC000657760484 411590865 /nfs/dbraw/zinc/59/08/65/411590865.db2.gz JAHNVVODVUYNTF-LLVKDONJSA-N 0 3 213.708 3.211 20 0 BGADHN CC1(C)C[C@]1(C)NCc1ccc(Cl)o1 ZINC000657760485 411590790 /nfs/dbraw/zinc/59/07/90/411590790.db2.gz JAHNVVODVUYNTF-NSHDSACASA-N 0 3 213.708 3.211 20 0 BGADHN CC1(C)C[C@@]1(C)NCc1ccccc1F ZINC000657760761 411590955 /nfs/dbraw/zinc/59/09/55/411590955.db2.gz RMERLRXHFHFTTI-CYBMUJFWSA-N 0 3 207.292 3.104 20 0 BGADHN CC1(C)C[C@]1(C)NCc1ccccc1F ZINC000657760762 411590726 /nfs/dbraw/zinc/59/07/26/411590726.db2.gz RMERLRXHFHFTTI-ZDUSSCGKSA-N 0 3 207.292 3.104 20 0 BGADHN Cc1nn(C(C)C)cc1CN[C@@]1(C)CC1(C)C ZINC000657760825 411590824 /nfs/dbraw/zinc/59/08/24/411590824.db2.gz AATHNIXZKHXTKR-AWEZNQCLSA-N 0 3 235.375 3.051 20 0 BGADHN Cc1nn(C(C)C)cc1CN[C@]1(C)CC1(C)C ZINC000657760826 411591041 /nfs/dbraw/zinc/59/10/41/411591041.db2.gz AATHNIXZKHXTKR-CQSZACIVSA-N 0 3 235.375 3.051 20 0 BGADHN CC1(C)C[C@@]1(C)NCc1cc(F)cc(F)c1 ZINC000657760835 411591007 /nfs/dbraw/zinc/59/10/07/411591007.db2.gz AFAXBAJMQZMXDQ-CYBMUJFWSA-N 0 3 225.282 3.243 20 0 BGADHN CC1(C)C[C@]1(C)NCc1cc(F)cc(F)c1 ZINC000657760836 411590836 /nfs/dbraw/zinc/59/08/36/411590836.db2.gz AFAXBAJMQZMXDQ-ZDUSSCGKSA-N 0 3 225.282 3.243 20 0 BGADHN COc1ccc(F)c(CN[C@@]2(C)CC2(C)C)c1 ZINC000657760853 411590885 /nfs/dbraw/zinc/59/08/85/411590885.db2.gz AJMWRQAGQOYNTB-AWEZNQCLSA-N 0 3 237.318 3.113 20 0 BGADHN COc1ccc(F)c(CN[C@]2(C)CC2(C)C)c1 ZINC000657760854 411591109 /nfs/dbraw/zinc/59/11/09/411591109.db2.gz AJMWRQAGQOYNTB-CQSZACIVSA-N 0 3 237.318 3.113 20 0 BGADHN C[C@@H](N[C@]1(C)CC1(C)C)c1cncc(F)c1 ZINC000657760903 411590993 /nfs/dbraw/zinc/59/09/93/411590993.db2.gz BYHGTCXWAHBJEZ-NOZJJQNGSA-N 0 3 222.307 3.060 20 0 BGADHN C[C@@H](N[C@@]1(C)CC1(C)C)c1cncc(F)c1 ZINC000657760904 411590928 /nfs/dbraw/zinc/59/09/28/411590928.db2.gz BYHGTCXWAHBJEZ-RNCFNFMXSA-N 0 3 222.307 3.060 20 0 BGADHN C[C@H](N[C@]1(C)CC1(C)C)c1cncc(F)c1 ZINC000657760905 411590633 /nfs/dbraw/zinc/59/06/33/411590633.db2.gz BYHGTCXWAHBJEZ-TVQRCGJNSA-N 0 3 222.307 3.060 20 0 BGADHN C[C@H](N[C@@]1(C)CC1(C)C)c1cncc(F)c1 ZINC000657760906 411590857 /nfs/dbraw/zinc/59/08/57/411590857.db2.gz BYHGTCXWAHBJEZ-ZANVPECISA-N 0 3 222.307 3.060 20 0 BGADHN CC1(C)C[C@@]1(C)NCc1cc(F)ccc1F ZINC000657760914 411590810 /nfs/dbraw/zinc/59/08/10/411590810.db2.gz CDBBOIKGESEUGD-CYBMUJFWSA-N 0 3 225.282 3.243 20 0 BGADHN CC1(C)C[C@]1(C)NCc1cc(F)ccc1F ZINC000657760915 411590979 /nfs/dbraw/zinc/59/09/79/411590979.db2.gz CDBBOIKGESEUGD-ZDUSSCGKSA-N 0 3 225.282 3.243 20 0 BGADHN CC1(C)C[C@@]1(C)NCc1ccc(F)cc1F ZINC000657761073 411590690 /nfs/dbraw/zinc/59/06/90/411590690.db2.gz VTIMIHDSRYTLQW-CYBMUJFWSA-N 0 3 225.282 3.243 20 0 BGADHN CC1(C)C[C@]1(C)NCc1ccc(F)cc1F ZINC000657761075 411590737 /nfs/dbraw/zinc/59/07/37/411590737.db2.gz VTIMIHDSRYTLQW-ZDUSSCGKSA-N 0 3 225.282 3.243 20 0 BGADHN COc1ccc(CN[C@@]2(C)CC2(C)C)c(F)c1 ZINC000657761267 411590951 /nfs/dbraw/zinc/59/09/51/411590951.db2.gz IADPPCOFLLCJPL-AWEZNQCLSA-N 0 3 237.318 3.113 20 0 BGADHN COc1ccc(CN[C@]2(C)CC2(C)C)c(F)c1 ZINC000657761268 411590916 /nfs/dbraw/zinc/59/09/16/411590916.db2.gz IADPPCOFLLCJPL-CQSZACIVSA-N 0 3 237.318 3.113 20 0 BGADHN CC1(C)C[C@@]1(C)NCc1cc(F)c(F)c(F)c1 ZINC000657761306 411590909 /nfs/dbraw/zinc/59/09/09/411590909.db2.gz IZVVTDFAFQORIR-CYBMUJFWSA-N 0 3 243.272 3.382 20 0 BGADHN CC1(C)C[C@]1(C)NCc1cc(F)c(F)c(F)c1 ZINC000657761307 411590896 /nfs/dbraw/zinc/59/08/96/411590896.db2.gz IZVVTDFAFQORIR-ZDUSSCGKSA-N 0 3 243.272 3.382 20 0 BGADHN CC1(C)C[C@]1(C)NCc1cc2cccnc2o1 ZINC000657761406 411591809 /nfs/dbraw/zinc/59/18/09/411591809.db2.gz KDUYYJLRMVFPIK-AWEZNQCLSA-N 0 3 230.311 3.106 20 0 BGADHN CC1(C)C[C@@]1(C)NCc1cc2cccnc2o1 ZINC000657761407 411591469 /nfs/dbraw/zinc/59/14/69/411591469.db2.gz KDUYYJLRMVFPIK-CQSZACIVSA-N 0 3 230.311 3.106 20 0 BGADHN CC(C)(C)c1ncc(CN[C@@]2(C)CC2(C)C)cn1 ZINC000657761418 411591841 /nfs/dbraw/zinc/59/18/41/411591841.db2.gz KJFBOMMUWGEHGO-HNNXBMFYSA-N 0 3 247.386 3.052 20 0 BGADHN CC(C)(C)c1ncc(CN[C@]2(C)CC2(C)C)cn1 ZINC000657761419 411591510 /nfs/dbraw/zinc/59/15/10/411591510.db2.gz KJFBOMMUWGEHGO-OAHLLOKOSA-N 0 3 247.386 3.052 20 0 BGADHN COc1ccc(CN[C@@]2(C)CC2(C)C)cc1F ZINC000657761489 411591783 /nfs/dbraw/zinc/59/17/83/411591783.db2.gz LXARTFVTNPMZMD-AWEZNQCLSA-N 0 3 237.318 3.113 20 0 BGADHN COc1ccc(CN[C@]2(C)CC2(C)C)cc1F ZINC000657761490 411591404 /nfs/dbraw/zinc/59/14/04/411591404.db2.gz LXARTFVTNPMZMD-CQSZACIVSA-N 0 3 237.318 3.113 20 0 BGADHN COc1cccc(CN[C@@]2(C)CC2(C)C)c1F ZINC000657761518 411591737 /nfs/dbraw/zinc/59/17/37/411591737.db2.gz MQEHSNOKTONQCW-AWEZNQCLSA-N 0 3 237.318 3.113 20 0 BGADHN COc1cccc(CN[C@]2(C)CC2(C)C)c1F ZINC000657761519 411591316 /nfs/dbraw/zinc/59/13/16/411591316.db2.gz MQEHSNOKTONQCW-CQSZACIVSA-N 0 3 237.318 3.113 20 0 BGADHN CC1(C)C[C@@]1(C)NCc1ccc(F)c(F)c1F ZINC000657761592 411591306 /nfs/dbraw/zinc/59/13/06/411591306.db2.gz OQGCYRAKKRFKNN-CYBMUJFWSA-N 0 3 243.272 3.382 20 0 BGADHN CC1(C)C[C@]1(C)NCc1ccc(F)c(F)c1F ZINC000657761593 411591280 /nfs/dbraw/zinc/59/12/80/411591280.db2.gz OQGCYRAKKRFKNN-ZDUSSCGKSA-N 0 3 243.272 3.382 20 0 BGADHN COc1cc(F)cc(CN[C@@]2(C)CC2(C)C)c1 ZINC000657761613 411591767 /nfs/dbraw/zinc/59/17/67/411591767.db2.gz PDWGWFKDYGHTJC-AWEZNQCLSA-N 0 3 237.318 3.113 20 0 BGADHN COc1cc(F)cc(CN[C@]2(C)CC2(C)C)c1 ZINC000657761614 411591786 /nfs/dbraw/zinc/59/17/86/411591786.db2.gz PDWGWFKDYGHTJC-CQSZACIVSA-N 0 3 237.318 3.113 20 0 BGADHN CC1(C)C[C@]1(C)NCC1=Cc2ccccc2OC1 ZINC000657761619 411591792 /nfs/dbraw/zinc/59/17/92/411591792.db2.gz PIZPSQXGVPUEFG-INIZCTEOSA-N 0 3 243.350 3.241 20 0 BGADHN CC1(C)C[C@@]1(C)NCC1=Cc2ccccc2OC1 ZINC000657761620 411591833 /nfs/dbraw/zinc/59/18/33/411591833.db2.gz PIZPSQXGVPUEFG-MRXNPFEDSA-N 0 3 243.350 3.241 20 0 BGADHN CC1(C)C[C@@]1(C)NCc1cnc(C2CC2)s1 ZINC000657761732 411591831 /nfs/dbraw/zinc/59/18/31/411591831.db2.gz ROVAQCKIQXCALY-CYBMUJFWSA-N 0 3 236.384 3.299 20 0 BGADHN CC1(C)C[C@]1(C)NCc1cnc(C2CC2)s1 ZINC000657761734 411591290 /nfs/dbraw/zinc/59/12/90/411591290.db2.gz ROVAQCKIQXCALY-ZDUSSCGKSA-N 0 3 236.384 3.299 20 0 BGADHN CC1(C)C[C@@]1(C)NCc1scnc1C1CC1 ZINC000657761919 411591818 /nfs/dbraw/zinc/59/18/18/411591818.db2.gz VMNIJSRICYHFDQ-CYBMUJFWSA-N 0 3 236.384 3.299 20 0 BGADHN CC1(C)C[C@]1(C)NCc1scnc1C1CC1 ZINC000657761921 411591847 /nfs/dbraw/zinc/59/18/47/411591847.db2.gz VMNIJSRICYHFDQ-ZDUSSCGKSA-N 0 3 236.384 3.299 20 0 BGADHN CC1(C)C[C@@]1(C)NCc1cccc(F)c1F ZINC000657762129 411591790 /nfs/dbraw/zinc/59/17/90/411591790.db2.gz WFNXIXCYYZYWOL-CYBMUJFWSA-N 0 3 225.282 3.243 20 0 BGADHN CC1(C)C[C@]1(C)NCc1cccc(F)c1F ZINC000657762131 411591367 /nfs/dbraw/zinc/59/13/67/411591367.db2.gz WFNXIXCYYZYWOL-ZDUSSCGKSA-N 0 3 225.282 3.243 20 0 BGADHN CCc1ccc(CN[C@]2(C)CC2(C)C)o1 ZINC000657762226 411591299 /nfs/dbraw/zinc/59/12/99/411591299.db2.gz XWUIILJTJGTCQY-CYBMUJFWSA-N 0 3 207.317 3.120 20 0 BGADHN CCc1ccc(CN[C@@]2(C)CC2(C)C)o1 ZINC000657762227 411591857 /nfs/dbraw/zinc/59/18/57/411591857.db2.gz XWUIILJTJGTCQY-ZDUSSCGKSA-N 0 3 207.317 3.120 20 0 BGADHN CC1(C)C[C@]1(C)NCc1cc2cnccc2o1 ZINC000657762267 411591855 /nfs/dbraw/zinc/59/18/55/411591855.db2.gz ZENUUYMDFQKPJG-AWEZNQCLSA-N 0 3 230.311 3.106 20 0 BGADHN CC1(C)C[C@@]1(C)NCc1cc2cnccc2o1 ZINC000657762268 411591797 /nfs/dbraw/zinc/59/17/97/411591797.db2.gz ZENUUYMDFQKPJG-CQSZACIVSA-N 0 3 230.311 3.106 20 0 BGADHN COc1ccsc1CN[C@]1(C)CC1(C)C ZINC000657762271 411591461 /nfs/dbraw/zinc/59/14/61/411591461.db2.gz ZGXMSTGPYYEWKA-GFCCVEGCSA-N 0 3 225.357 3.035 20 0 BGADHN COc1ccsc1CN[C@@]1(C)CC1(C)C ZINC000657762272 411591754 /nfs/dbraw/zinc/59/17/54/411591754.db2.gz ZGXMSTGPYYEWKA-LBPRGKRZSA-N 0 3 225.357 3.035 20 0 BGADHN COc1ccc(F)cc1CN[C@@]1(C)CC1(C)C ZINC000657762299 411591805 /nfs/dbraw/zinc/59/18/05/411591805.db2.gz ZWZYFMPTSFMTAG-AWEZNQCLSA-N 0 3 237.318 3.113 20 0 BGADHN COc1ccc(F)cc1CN[C@]1(C)CC1(C)C ZINC000657762300 411591653 /nfs/dbraw/zinc/59/16/53/411591653.db2.gz ZWZYFMPTSFMTAG-CQSZACIVSA-N 0 3 237.318 3.113 20 0 BGADHN CO[C@H](CNCc1ccsc1)C1CCCC1 ZINC000657765270 411592923 /nfs/dbraw/zinc/59/29/23/411592923.db2.gz ADIKKLVBQAUDBF-CYBMUJFWSA-N 0 3 239.384 3.043 20 0 BGADHN CO[C@@H](CNCc1ccsc1)C1CCCC1 ZINC000657765272 411592898 /nfs/dbraw/zinc/59/28/98/411592898.db2.gz ADIKKLVBQAUDBF-ZDUSSCGKSA-N 0 3 239.384 3.043 20 0 BGADHN CO[C@H](CNCc1cccs1)C1CCCC1 ZINC000657767377 411593861 /nfs/dbraw/zinc/59/38/61/411593861.db2.gz OBCIXSXOPQOHRM-CYBMUJFWSA-N 0 3 239.384 3.043 20 0 BGADHN CO[C@@H](CNCc1cccs1)C1CCCC1 ZINC000657767379 411593969 /nfs/dbraw/zinc/59/39/69/411593969.db2.gz OBCIXSXOPQOHRM-ZDUSSCGKSA-N 0 3 239.384 3.043 20 0 BGADHN Cc1ccc(CNC2(CC(C)C)CC2)o1 ZINC000657773725 411593415 /nfs/dbraw/zinc/59/34/15/411593415.db2.gz BSOLGYQYDQJPMP-UHFFFAOYSA-N 0 3 207.317 3.256 20 0 BGADHN Cc1ncsc1CNC1(CC(C)C)CC1 ZINC000657773971 411593592 /nfs/dbraw/zinc/59/35/92/411593592.db2.gz AEJCZVUQANFLOV-UHFFFAOYSA-N 0 3 224.373 3.120 20 0 BGADHN CCc1cnc(CNC2(CC(C)C)CC2)s1 ZINC000657774085 411593401 /nfs/dbraw/zinc/59/34/01/411593401.db2.gz BDIVNWSQHMJVCT-UHFFFAOYSA-N 0 3 238.400 3.374 20 0 BGADHN CC(C)CC1(NCc2ccnn2C(C)C)CC1 ZINC000657774225 411593627 /nfs/dbraw/zinc/59/36/27/411593627.db2.gz CLACYFZJSOYKCL-UHFFFAOYSA-N 0 3 235.375 3.132 20 0 BGADHN Cc1occc1CNC1(CC(C)C)CC1 ZINC000657774243 411593748 /nfs/dbraw/zinc/59/37/48/411593748.db2.gz CMQHIBRIOOPODR-UHFFFAOYSA-N 0 3 207.317 3.256 20 0 BGADHN CCOc1cccc(CNC2(CC(C)C)CC2)n1 ZINC000657774331 411593831 /nfs/dbraw/zinc/59/38/31/411593831.db2.gz DMIFWBMQHWSEEM-UHFFFAOYSA-N 0 3 248.370 3.149 20 0 BGADHN Cc1cnc(CNC2(CC(C)C)CC2)s1 ZINC000657774332 411593839 /nfs/dbraw/zinc/59/38/39/411593839.db2.gz DPYHOTICQRQGDD-UHFFFAOYSA-N 0 3 224.373 3.120 20 0 BGADHN Cc1nn(C(C)C)cc1CNC1(CC(C)C)CC1 ZINC000657774333 411593903 /nfs/dbraw/zinc/59/39/03/411593903.db2.gz DQFWZDQHTGNLMP-UHFFFAOYSA-N 0 3 249.402 3.441 20 0 BGADHN CCOc1ccc(CNC2(CC(C)C)CC2)nc1 ZINC000657774340 411594555 /nfs/dbraw/zinc/59/45/55/411594555.db2.gz DUHPAEACOVZDHO-UHFFFAOYSA-N 0 3 248.370 3.149 20 0 BGADHN Cc1ccoc1CNC1(CC(C)C)CC1 ZINC000657774366 411594676 /nfs/dbraw/zinc/59/46/76/411594676.db2.gz FQSNTCLOOBJLRB-UHFFFAOYSA-N 0 3 207.317 3.256 20 0 BGADHN CCc1ncc(CNC2(CC(C)C)CC2)s1 ZINC000657774402 411594116 /nfs/dbraw/zinc/59/41/16/411594116.db2.gz GNRSGXSWAGNCPP-UHFFFAOYSA-N 0 3 238.400 3.374 20 0 BGADHN CC(C)Cn1nccc1CNC1(CC(C)C)CC1 ZINC000657774763 411594333 /nfs/dbraw/zinc/59/43/33/411594333.db2.gz KGUZCZFTJXQYJG-UHFFFAOYSA-N 0 3 249.402 3.207 20 0 BGADHN CC(C)CC1(NCc2cnc(C3CC3)nc2)CC1 ZINC000657774767 411594626 /nfs/dbraw/zinc/59/46/26/411594626.db2.gz KJHKJIVERVGXJR-UHFFFAOYSA-N 0 3 245.370 3.022 20 0 BGADHN CC(C)CC1(NCc2cnn(C(C)(C)C)c2)CC1 ZINC000657774830 411594513 /nfs/dbraw/zinc/59/45/13/411594513.db2.gz LUUUUFJHMITNPP-UHFFFAOYSA-N 0 3 249.402 3.306 20 0 BGADHN CC(C)CC1(NCc2cn3ccccc3n2)CC1 ZINC000657774833 411594475 /nfs/dbraw/zinc/59/44/75/411594475.db2.gz LVZXZAUTDPUNSR-UHFFFAOYSA-N 0 3 243.354 3.003 20 0 BGADHN Cc1ncc(CNC2(CC(C)C)CC2)s1 ZINC000657774836 411594708 /nfs/dbraw/zinc/59/47/08/411594708.db2.gz LXWYJTJMWFUPSW-UHFFFAOYSA-N 0 3 224.373 3.120 20 0 BGADHN COc1ccccc1CNC1(CC(C)C)CC1 ZINC000657775023 411594573 /nfs/dbraw/zinc/59/45/73/411594573.db2.gz MOMCFRFEDQJKCQ-UHFFFAOYSA-N 0 3 233.355 3.364 20 0 BGADHN CC(C)CC1(N[C@H](C)c2cncc(F)c2)CC1 ZINC000657775237 411594223 /nfs/dbraw/zinc/59/42/23/411594223.db2.gz PKZANFSXELQSMR-LLVKDONJSA-N 0 3 236.334 3.450 20 0 BGADHN CC(C)CC1(N[C@@H](C)c2cncc(F)c2)CC1 ZINC000657775238 411594448 /nfs/dbraw/zinc/59/44/48/411594448.db2.gz PKZANFSXELQSMR-NSHDSACASA-N 0 3 236.334 3.450 20 0 BGADHN Cc1ccc(CNC2(CC(C)C)CC2)nc1 ZINC000657775252 411594583 /nfs/dbraw/zinc/59/45/83/411594583.db2.gz QDEJOWOSNLNONI-UHFFFAOYSA-N 0 3 218.344 3.058 20 0 BGADHN COc1ccsc1CNC1(CC(C)C)CC1 ZINC000657775271 411594451 /nfs/dbraw/zinc/59/44/51/411594451.db2.gz QSXMCLIDESFXSC-UHFFFAOYSA-N 0 3 239.384 3.425 20 0 BGADHN CC(C)CC1(NCc2cnn(C(C)C)c2)CC1 ZINC000657775282 411594262 /nfs/dbraw/zinc/59/42/62/411594262.db2.gz QZYULQDGAUKYQF-UHFFFAOYSA-N 0 3 235.375 3.132 20 0 BGADHN Cc1csc(CNC2(CC(C)C)CC2)n1 ZINC000657775288 411594416 /nfs/dbraw/zinc/59/44/16/411594416.db2.gz RCYOUBTUFCSBSG-UHFFFAOYSA-N 0 3 224.373 3.120 20 0 BGADHN COCc1ccc(CNC2(CC(C)C)CC2)o1 ZINC000657775291 411594420 /nfs/dbraw/zinc/59/44/20/411594420.db2.gz RETDWBJBUZAXBY-UHFFFAOYSA-N 0 3 237.343 3.094 20 0 BGADHN CC(C)CC1(NCc2cc3cnccc3o2)CC1 ZINC000657775548 411594651 /nfs/dbraw/zinc/59/46/51/411594651.db2.gz RRBFXMLCKCNRAV-UHFFFAOYSA-N 0 3 244.338 3.496 20 0 BGADHN COc1cc(C)nc(CNC2(CC(C)C)CC2)c1 ZINC000657775569 411594216 /nfs/dbraw/zinc/59/42/16/411594216.db2.gz RVTDESAQXUNPDE-UHFFFAOYSA-N 0 3 248.370 3.067 20 0 BGADHN CC(C)CC1(NCc2cccc3c2OCO3)CC1 ZINC000657775679 411594213 /nfs/dbraw/zinc/59/42/13/411594213.db2.gz TYSVLTYLSDZNJV-UHFFFAOYSA-N 0 3 247.338 3.084 20 0 BGADHN COc1ccc(CNC2(CC(C)C)CC2)cc1O ZINC000657775883 411594189 /nfs/dbraw/zinc/59/41/89/411594189.db2.gz SGWDGMWRDRHYIQ-UHFFFAOYSA-N 0 3 249.354 3.069 20 0 BGADHN CC(C)CC1(NCc2ccccc2F)CC1 ZINC000657775943 411594484 /nfs/dbraw/zinc/59/44/84/411594484.db2.gz UJNYJXNVKFPEID-UHFFFAOYSA-N 0 3 221.319 3.494 20 0 BGADHN CC(C)CC1(NCc2nccn2C(C)C)CC1 ZINC000657775995 411594337 /nfs/dbraw/zinc/59/43/37/411594337.db2.gz WPDGPMPYGCQHJF-UHFFFAOYSA-N 0 3 235.375 3.132 20 0 BGADHN CC(C)CC1(NCc2cncn2C(C)C)CC1 ZINC000657776214 411594467 /nfs/dbraw/zinc/59/44/67/411594467.db2.gz WYOQVEUQLMQLGA-UHFFFAOYSA-N 0 3 235.375 3.132 20 0 BGADHN CC(C)CC1(NCc2cc3cccnc3o2)CC1 ZINC000657776336 411594598 /nfs/dbraw/zinc/59/45/98/411594598.db2.gz ZJSVEDXQJUHSAT-UHFFFAOYSA-N 0 3 244.338 3.496 20 0 BGADHN Clc1ccc(CNCCCc2ccco2)o1 ZINC000657780700 411597257 /nfs/dbraw/zinc/59/72/57/411597257.db2.gz XOWQQDXKDKHPOR-UHFFFAOYSA-N 0 3 239.702 3.248 20 0 BGADHN Cc1cccc(CNCCCc2ccco2)c1F ZINC000657783477 411594778 /nfs/dbraw/zinc/59/47/78/411594778.db2.gz SZJFTEWFDXEGOL-UHFFFAOYSA-N 0 3 247.313 3.450 20 0 BGADHN Cc1ccc(F)c(CNCCCc2ccco2)c1 ZINC000657783575 411594760 /nfs/dbraw/zinc/59/47/60/411594760.db2.gz UMUQNBUWSQJGHG-UHFFFAOYSA-N 0 3 247.313 3.450 20 0 BGADHN CCc1ccc(CNCCCc2ccco2)o1 ZINC000657783578 411594838 /nfs/dbraw/zinc/59/48/38/411594838.db2.gz UNHBMQPYCDSSHX-UHFFFAOYSA-N 0 3 233.311 3.157 20 0 BGADHN C[C@@H](NCCCc1ccco1)c1cncc(F)c1 ZINC000657783616 411595167 /nfs/dbraw/zinc/59/51/67/411595167.db2.gz VGAUCKSPDPERHR-LLVKDONJSA-N 0 3 248.301 3.097 20 0 BGADHN C[C@H](NCCCc1ccco1)c1cncc(F)c1 ZINC000657783618 411594855 /nfs/dbraw/zinc/59/48/55/411594855.db2.gz VGAUCKSPDPERHR-NSHDSACASA-N 0 3 248.301 3.097 20 0 BGADHN Cc1c[nH]nc1CNC1CCC(C2CCC2)CC1 ZINC000657784117 411595147 /nfs/dbraw/zinc/59/51/47/411595147.db2.gz LRYPKWJMOSYRAD-UHFFFAOYSA-N 0 3 247.386 3.167 20 0 BGADHN Cc1c[nH]c(CNC2CCC(C3CCC3)CC2)n1 ZINC000657784144 411595174 /nfs/dbraw/zinc/59/51/74/411595174.db2.gz NBIXYUSCBWTXIW-UHFFFAOYSA-N 0 3 247.386 3.167 20 0 BGADHN Cc1nocc1CNC1CCC(C2CCC2)CC1 ZINC000657784679 411595181 /nfs/dbraw/zinc/59/51/81/411595181.db2.gz ZIQAOOVJGGYGGM-UHFFFAOYSA-N 0 3 248.370 3.432 20 0 BGADHN CO[C@@]1(C)C[C@H]1NCc1cc2ccccc2s1 ZINC000657788058 411595870 /nfs/dbraw/zinc/59/58/70/411595870.db2.gz DVGZNHMMXRCNLE-KGLIPLIRSA-N 0 3 247.363 3.168 20 0 BGADHN CO[C@@]1(C)C[C@H]1NCc1c(C)oc2ccccc21 ZINC000657788769 411596652 /nfs/dbraw/zinc/59/66/52/411596652.db2.gz VYIBEEJJVOJTFU-CABCVRRESA-N 0 3 245.322 3.008 20 0 BGADHN CO[C@@]1(C)C[C@H]1N[C@@H](C)c1ccc(Cl)cc1 ZINC000657789209 411596411 /nfs/dbraw/zinc/59/64/11/411596411.db2.gz BXBPGENITCJUMH-BIMULSAOSA-N 0 3 239.746 3.168 20 0 BGADHN CO[C@@]1(C)C[C@H]1N[C@H](C)c1ccc(Cl)cc1 ZINC000657789210 411597013 /nfs/dbraw/zinc/59/70/13/411597013.db2.gz BXBPGENITCJUMH-WQAKAFBOSA-N 0 3 239.746 3.168 20 0 BGADHN CO[C@@]1(C)C[C@H]1NCc1csc2ccccc12 ZINC000657790589 411597592 /nfs/dbraw/zinc/59/75/92/411597592.db2.gz YDBOWMKVLYBUML-KGLIPLIRSA-N 0 3 247.363 3.168 20 0 BGADHN CC1=C[C@H](C)C[C@@H](CN[C@@H](C)c2nccn2C)C1 ZINC000657792942 411599160 /nfs/dbraw/zinc/59/91/60/411599160.db2.gz GULNCISEZVNSQF-FPMFFAJLSA-N 0 3 247.386 3.063 20 0 BGADHN CC1=C[C@H](C)C[C@@H](CN[C@H](C)c2nccn2C)C1 ZINC000657792946 411599062 /nfs/dbraw/zinc/59/90/62/411599062.db2.gz GULNCISEZVNSQF-IACUBPJLSA-N 0 3 247.386 3.063 20 0 BGADHN CC1=C[C@H](C)C[C@H](CN[C@@H](C)c2nccn2C)C1 ZINC000657792950 411598574 /nfs/dbraw/zinc/59/85/74/411598574.db2.gz GULNCISEZVNSQF-UBHSHLNASA-N 0 3 247.386 3.063 20 0 BGADHN CC1=C[C@H](C)C[C@H](CN[C@H](C)c2nccn2C)C1 ZINC000657792956 411598927 /nfs/dbraw/zinc/59/89/27/411598927.db2.gz GULNCISEZVNSQF-YUTCNCBUSA-N 0 3 247.386 3.063 20 0 BGADHN CC[C@@H]1CCC[C@@H](CN[C@@H](C)c2nccn2C)C1 ZINC000657793248 411599170 /nfs/dbraw/zinc/59/91/70/411599170.db2.gz HGXXQEIVILVWTE-BFHYXJOUSA-N 0 3 249.402 3.287 20 0 BGADHN CC[C@@H]1CCC[C@H](CN[C@H](C)c2nccn2C)C1 ZINC000657793250 411599221 /nfs/dbraw/zinc/59/92/21/411599221.db2.gz HGXXQEIVILVWTE-MCIONIFRSA-N 0 3 249.402 3.287 20 0 BGADHN CC[C@@H]1CCC[C@@H](CN[C@H](C)c2nccn2C)C1 ZINC000657793252 411599027 /nfs/dbraw/zinc/59/90/27/411599027.db2.gz HGXXQEIVILVWTE-MGPQQGTHSA-N 0 3 249.402 3.287 20 0 BGADHN CC[C@@H]1CCC[C@H](CN[C@@H](C)c2nccn2C)C1 ZINC000657793254 411598611 /nfs/dbraw/zinc/59/86/11/411598611.db2.gz HGXXQEIVILVWTE-MJBXVCDLSA-N 0 3 249.402 3.287 20 0 BGADHN CC[C@@H]1CCC[C@@H](N[C@@H](C)c2nccn2C)CC1 ZINC000657794243 411599452 /nfs/dbraw/zinc/59/94/52/411599452.db2.gz VKBOFIUSEPPJMT-BFHYXJOUSA-N 0 3 249.402 3.430 20 0 BGADHN CC[C@@H]1CCC[C@H](N[C@H](C)c2nccn2C)CC1 ZINC000657794244 411599790 /nfs/dbraw/zinc/59/97/90/411599790.db2.gz VKBOFIUSEPPJMT-MCIONIFRSA-N 0 3 249.402 3.430 20 0 BGADHN CC[C@@H]1CCC[C@@H](N[C@H](C)c2nccn2C)CC1 ZINC000657794246 411599920 /nfs/dbraw/zinc/59/99/20/411599920.db2.gz VKBOFIUSEPPJMT-MGPQQGTHSA-N 0 3 249.402 3.430 20 0 BGADHN CC[C@@H]1CCC[C@H](N[C@@H](C)c2nccn2C)CC1 ZINC000657794248 411599817 /nfs/dbraw/zinc/59/98/17/411599817.db2.gz VKBOFIUSEPPJMT-MJBXVCDLSA-N 0 3 249.402 3.430 20 0 BGADHN C[C@@H](N[C@@H]1CCCC(C)(C)CC1)c1nccn1C ZINC000657794619 411599387 /nfs/dbraw/zinc/59/93/87/411599387.db2.gz YMHXPPKOECNRRH-CHWSQXEVSA-N 0 3 249.402 3.430 20 0 BGADHN C[C@@H](N[C@H]1CCCC(C)(C)CC1)c1nccn1C ZINC000657794620 411599352 /nfs/dbraw/zinc/59/93/52/411599352.db2.gz YMHXPPKOECNRRH-OLZOCXBDSA-N 0 3 249.402 3.430 20 0 BGADHN C[C@H](N[C@@H]1CCCC(C)(C)CC1)c1nccn1C ZINC000657794621 411599952 /nfs/dbraw/zinc/59/99/52/411599952.db2.gz YMHXPPKOECNRRH-QWHCGFSZSA-N 0 3 249.402 3.430 20 0 BGADHN C[C@H](N[C@H]1CCCC(C)(C)CC1)c1nccn1C ZINC000657794622 411599506 /nfs/dbraw/zinc/59/95/06/411599506.db2.gz YMHXPPKOECNRRH-STQMWFEESA-N 0 3 249.402 3.430 20 0 BGADHN CC1=CCC[C@H](C)[C@@H]1CN[C@H](C)c1nccn1C ZINC000657794780 411599697 /nfs/dbraw/zinc/59/96/97/411599697.db2.gz WKLMBVQSSZWVDP-BFHYXJOUSA-N 0 3 247.386 3.063 20 0 BGADHN CC1=CCC[C@H](C)[C@H]1CN[C@@H](C)c1nccn1C ZINC000657794781 411599763 /nfs/dbraw/zinc/59/97/63/411599763.db2.gz WKLMBVQSSZWVDP-IHRRRGAJSA-N 0 3 247.386 3.063 20 0 BGADHN CC1=CCC[C@H](C)[C@@H]1CN[C@@H](C)c1nccn1C ZINC000657794782 411599397 /nfs/dbraw/zinc/59/93/97/411599397.db2.gz WKLMBVQSSZWVDP-MELADBBJSA-N 0 3 247.386 3.063 20 0 BGADHN CC1=CCC[C@H](C)[C@H]1CN[C@H](C)c1nccn1C ZINC000657794783 411599576 /nfs/dbraw/zinc/59/95/76/411599576.db2.gz WKLMBVQSSZWVDP-MJBXVCDLSA-N 0 3 247.386 3.063 20 0 BGADHN Cc1cccc2c1CCC[C@@H]2NCC1(F)CC1 ZINC000657796110 411598272 /nfs/dbraw/zinc/59/82/72/411598272.db2.gz CGUIZJHUWUBDQO-AWEZNQCLSA-N 0 3 233.330 3.464 20 0 BGADHN Cc1cccc2c1CCC[C@H]2NCC1(F)CC1 ZINC000657796111 411598388 /nfs/dbraw/zinc/59/83/88/411598388.db2.gz CGUIZJHUWUBDQO-CQSZACIVSA-N 0 3 233.330 3.464 20 0 BGADHN Cc1cccc2c1CCC[C@@H]2NCc1cc[nH]c1 ZINC000657799735 411599653 /nfs/dbraw/zinc/59/96/53/411599653.db2.gz YNIQXBJGQYASSF-INIZCTEOSA-N 0 3 240.350 3.490 20 0 BGADHN Cc1cccc2c1CCC[C@H]2NCc1cc[nH]c1 ZINC000657799737 411599671 /nfs/dbraw/zinc/59/96/71/411599671.db2.gz YNIQXBJGQYASSF-MRXNPFEDSA-N 0 3 240.350 3.490 20 0 BGADHN CC1(C)CC(NCc2cc3cnccc3o2)C1 ZINC000657801750 411599433 /nfs/dbraw/zinc/59/94/33/411599433.db2.gz IFVSKDQYWMUMGB-UHFFFAOYSA-N 0 3 230.311 3.106 20 0 BGADHN CCCn1nc(C)c(CNC2CC(C)(C)C2)c1C ZINC000657801864 411599857 /nfs/dbraw/zinc/59/98/57/411599857.db2.gz KBANJBYYKYDILO-UHFFFAOYSA-N 0 3 249.402 3.188 20 0 BGADHN COc1cccc(CNCc2ccccc2)c1C ZINC000657801920 411599715 /nfs/dbraw/zinc/59/97/15/411599715.db2.gz NITULTDNFLNFQB-UHFFFAOYSA-N 0 3 241.334 3.293 20 0 BGADHN COc1cccc(CNCc2cccs2)c1C ZINC000657802208 411599409 /nfs/dbraw/zinc/59/94/09/411599409.db2.gz WCRCFLRUAQPBKE-UHFFFAOYSA-N 0 3 247.363 3.355 20 0 BGADHN CC1(C)CC(NCc2ccc(F)c(F)c2F)C1 ZINC000657802230 411599784 /nfs/dbraw/zinc/59/97/84/411599784.db2.gz XXBFCSHCPVJLIY-UHFFFAOYSA-N 0 3 243.272 3.382 20 0 BGADHN COc1cccc(CNCc2ccsc2)c1C ZINC000657805291 411600136 /nfs/dbraw/zinc/60/01/36/411600136.db2.gz UIHCXGNFZJCPQL-UHFFFAOYSA-N 0 3 247.363 3.355 20 0 BGADHN C[C@@H](NCc1ccco1)C(C)(C)C(F)F ZINC000657814902 411604252 /nfs/dbraw/zinc/60/42/52/411604252.db2.gz AMFNWPFWIKZPCX-MRVPVSSYSA-N 0 3 217.259 3.049 20 0 BGADHN C[C@H](NCc1ccco1)C(C)(C)C(F)F ZINC000657814905 411604332 /nfs/dbraw/zinc/60/43/32/411604332.db2.gz AMFNWPFWIKZPCX-QMMMGPOBSA-N 0 3 217.259 3.049 20 0 BGADHN C[C@H](N[C@@H]1CCCn2nccc21)c1ccccc1 ZINC000657818450 411605886 /nfs/dbraw/zinc/60/58/86/411605886.db2.gz TWBQMYWQRXWGSH-GXTWGEPZSA-N 0 3 241.338 3.069 20 0 BGADHN C[C@H](N[C@H]1CCCn2nccc21)c1ccccc1 ZINC000657818453 411605894 /nfs/dbraw/zinc/60/58/94/411605894.db2.gz TWBQMYWQRXWGSH-JSGCOSHPSA-N 0 3 241.338 3.069 20 0 BGADHN C[C@@H](N[C@H]1CCCn2nccc21)c1ccccc1 ZINC000657818456 411606008 /nfs/dbraw/zinc/60/60/08/411606008.db2.gz TWBQMYWQRXWGSH-OCCSQVGLSA-N 0 3 241.338 3.069 20 0 BGADHN C[C@@H](N[C@@H]1CCCn2nccc21)c1ccccc1 ZINC000657818458 411605847 /nfs/dbraw/zinc/60/58/47/411605847.db2.gz TWBQMYWQRXWGSH-TZMCWYRMSA-N 0 3 241.338 3.069 20 0 BGADHN CC1(C)[C@H]2CCC[C@H]2[C@@H]1NCc1ccco1 ZINC000657818504 411605941 /nfs/dbraw/zinc/60/59/41/411605941.db2.gz UHLPLISKKPTJJW-AGIUHOORSA-N 0 3 219.328 3.194 20 0 BGADHN CC1(C)[C@H](NCc2ccco2)[C@@H]2CCC[C@@H]21 ZINC000657818507 411606171 /nfs/dbraw/zinc/60/61/71/411606171.db2.gz UHLPLISKKPTJJW-FRRDWIJNSA-N 0 3 219.328 3.194 20 0 BGADHN C[C@@H](N[C@H]1COC2(CCC2)C1)c1cccs1 ZINC000657820262 411606861 /nfs/dbraw/zinc/60/68/61/411606861.db2.gz IAYWZFCXALRXGL-GHMZBOCLSA-N 0 3 237.368 3.110 20 0 BGADHN C[C@@H](N[C@@H]1COC2(CCC2)C1)c1cccs1 ZINC000657820267 411607068 /nfs/dbraw/zinc/60/70/68/411607068.db2.gz IAYWZFCXALRXGL-MNOVXSKESA-N 0 3 237.368 3.110 20 0 BGADHN C[C@H](N[C@@H]1COC2(CCC2)C1)c1cccs1 ZINC000657820269 411607194 /nfs/dbraw/zinc/60/71/94/411607194.db2.gz IAYWZFCXALRXGL-QWRGUYRKSA-N 0 3 237.368 3.110 20 0 BGADHN C[C@H](N[C@H]1COC2(CCC2)C1)c1cccs1 ZINC000657820271 411607126 /nfs/dbraw/zinc/60/71/26/411607126.db2.gz IAYWZFCXALRXGL-WDEREUQCSA-N 0 3 237.368 3.110 20 0 BGADHN FCC1(CF)CC(NCc2ccccc2F)C1 ZINC000657821814 411607135 /nfs/dbraw/zinc/60/71/35/411607135.db2.gz NNZNUSRVUIFICY-UHFFFAOYSA-N 0 3 243.272 3.003 20 0 BGADHN C[C@@H](N[C@@H]1CCCn2nccc21)c1cccs1 ZINC000657821970 411607191 /nfs/dbraw/zinc/60/71/91/411607191.db2.gz OXFZMONZFZTZAT-GHMZBOCLSA-N 0 3 247.367 3.130 20 0 BGADHN C[C@@H](N[C@H]1CCCn2nccc21)c1cccs1 ZINC000657821972 411607119 /nfs/dbraw/zinc/60/71/19/411607119.db2.gz OXFZMONZFZTZAT-MNOVXSKESA-N 0 3 247.367 3.130 20 0 BGADHN C[C@H](N[C@H]1CCCn2nccc21)c1cccs1 ZINC000657821973 411607209 /nfs/dbraw/zinc/60/72/09/411607209.db2.gz OXFZMONZFZTZAT-QWRGUYRKSA-N 0 3 247.367 3.130 20 0 BGADHN C[C@H](N[C@@H]1CCCn2nccc21)c1cccs1 ZINC000657821974 411606880 /nfs/dbraw/zinc/60/68/80/411606880.db2.gz OXFZMONZFZTZAT-WDEREUQCSA-N 0 3 247.367 3.130 20 0 BGADHN Cc1csc(CN[C@H](C)C(C)(C)C(F)F)n1 ZINC000657829554 411609175 /nfs/dbraw/zinc/60/91/75/411609175.db2.gz WCHXUKOKLGMIKL-MRVPVSSYSA-N 0 3 248.342 3.221 20 0 BGADHN Cc1csc(CN[C@@H](C)C(C)(C)C(F)F)n1 ZINC000657829556 411609278 /nfs/dbraw/zinc/60/92/78/411609278.db2.gz WCHXUKOKLGMIKL-QMMMGPOBSA-N 0 3 248.342 3.221 20 0 BGADHN Cc1ccc(CN[C@@H](C)C(C)(C)C(F)F)cn1 ZINC000657839722 411610072 /nfs/dbraw/zinc/61/00/72/411610072.db2.gz DTHJJGYKCKIHLY-JTQLQIEISA-N 0 3 242.313 3.159 20 0 BGADHN Cc1ccc(CN[C@H](C)C(C)(C)C(F)F)cn1 ZINC000657839723 411610028 /nfs/dbraw/zinc/61/00/28/411610028.db2.gz DTHJJGYKCKIHLY-SNVBAGLBSA-N 0 3 242.313 3.159 20 0 BGADHN Cc1cccc(CN[C@@H](C)C(C)(C)C(F)F)n1 ZINC000657841294 411609889 /nfs/dbraw/zinc/60/98/89/411609889.db2.gz BWRUFSINUGYIMS-JTQLQIEISA-N 0 3 242.313 3.159 20 0 BGADHN Cc1cccc(CN[C@H](C)C(C)(C)C(F)F)n1 ZINC000657841296 411609967 /nfs/dbraw/zinc/60/99/67/411609967.db2.gz BWRUFSINUGYIMS-SNVBAGLBSA-N 0 3 242.313 3.159 20 0 BGADHN Cc1cccc(CN[C@H]2[C@@H]3CCC[C@@H]3C2(C)C)n1 ZINC000657842997 411610343 /nfs/dbraw/zinc/61/03/43/411610343.db2.gz LYWRLQWWZXNINM-ILXRZTDVSA-N 0 3 244.382 3.304 20 0 BGADHN Cc1cccc(CN[C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)n1 ZINC000657842998 411610711 /nfs/dbraw/zinc/61/07/11/411610711.db2.gz LYWRLQWWZXNINM-QLFBSQMISA-N 0 3 244.382 3.304 20 0 BGADHN CC1(C)[C@H](NCc2nccs2)[C@@H]2CCC[C@@H]21 ZINC000657844905 411610757 /nfs/dbraw/zinc/61/07/57/411610757.db2.gz ZXAGNPRBKDCWEL-JFGNBEQYSA-N 0 3 236.384 3.057 20 0 BGADHN CC1(C)[C@H]2CCC[C@H]2[C@@H]1NCc1nccs1 ZINC000657844908 411610724 /nfs/dbraw/zinc/61/07/24/411610724.db2.gz ZXAGNPRBKDCWEL-SCVCMEIPSA-N 0 3 236.384 3.057 20 0 BGADHN C[C@@H](NCc1ccoc1)C(C)(C)C(F)F ZINC000657847028 411611490 /nfs/dbraw/zinc/61/14/90/411611490.db2.gz ZLGYPYGVSSNMRR-MRVPVSSYSA-N 0 3 217.259 3.049 20 0 BGADHN C[C@H](NCc1ccoc1)C(C)(C)C(F)F ZINC000657847029 411611017 /nfs/dbraw/zinc/61/10/17/411611017.db2.gz ZLGYPYGVSSNMRR-QMMMGPOBSA-N 0 3 217.259 3.049 20 0 BGADHN Cc1noc(C)c1CN[C@@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000657851415 488148848 /nfs/dbraw/zinc/14/88/48/488148848.db2.gz NZEYQWLBBHYOCS-KWCYVHTRSA-N 0 3 248.370 3.206 20 0 BGADHN Cc1noc(C)c1CN[C@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000657851418 488148818 /nfs/dbraw/zinc/14/88/18/488148818.db2.gz NZEYQWLBBHYOCS-XBFCOCLRSA-N 0 3 248.370 3.206 20 0 BGADHN Cc1noc(C)c1CN[C@H](C)C(C)(C)C(F)F ZINC000657852166 411612155 /nfs/dbraw/zinc/61/21/55/411612155.db2.gz UJYNJLIXOOTSRX-SECBINFHSA-N 0 3 246.301 3.061 20 0 BGADHN Cc1noc(C)c1CN[C@@H](C)C(C)(C)C(F)F ZINC000657852168 411612282 /nfs/dbraw/zinc/61/22/82/411612282.db2.gz UJYNJLIXOOTSRX-VIFPVBQESA-N 0 3 246.301 3.061 20 0 BGADHN Cc1occc1CN[C@H](C)C(C)(C)C(F)F ZINC000657854782 488151021 /nfs/dbraw/zinc/15/10/21/488151021.db2.gz AWTIMAJAZKMXDE-SECBINFHSA-N 0 3 231.286 3.357 20 0 BGADHN Cc1occc1CN[C@@H](C)C(C)(C)C(F)F ZINC000657854783 488151153 /nfs/dbraw/zinc/15/11/53/488151153.db2.gz AWTIMAJAZKMXDE-VIFPVBQESA-N 0 3 231.286 3.357 20 0 BGADHN CC1(C)[C@H](NCc2cscn2)[C@@H]2CCC[C@@H]21 ZINC000657860504 488154059 /nfs/dbraw/zinc/15/40/59/488154059.db2.gz IJWNHLZCLIKNAW-GRYCIOLGSA-N 0 3 236.384 3.057 20 0 BGADHN CC1(C)[C@H]2CCC[C@H]2[C@@H]1NCc1cscn1 ZINC000657860505 488153886 /nfs/dbraw/zinc/15/38/86/488153886.db2.gz IJWNHLZCLIKNAW-WOPDTQHZSA-N 0 3 236.384 3.057 20 0 BGADHN Cc1ncsc1CN[C@H](C)C(C)(C)C(F)F ZINC000657871799 411613788 /nfs/dbraw/zinc/61/37/88/411613788.db2.gz CGKKOJNNNFMBDJ-MRVPVSSYSA-N 0 3 248.342 3.221 20 0 BGADHN Cc1ncsc1CN[C@@H](C)C(C)(C)C(F)F ZINC000657871801 411614168 /nfs/dbraw/zinc/61/41/68/411614168.db2.gz CGKKOJNNNFMBDJ-QMMMGPOBSA-N 0 3 248.342 3.221 20 0 BGADHN Cc1ncc(CN[C@H](C)C(C)(C)C(F)F)s1 ZINC000657872805 411614834 /nfs/dbraw/zinc/61/48/34/411614834.db2.gz SNWCOBMBWJNNTG-SSDOTTSWSA-N 0 3 248.342 3.221 20 0 BGADHN Cc1ncc(CN[C@@H](C)C(C)(C)C(F)F)s1 ZINC000657872806 411615238 /nfs/dbraw/zinc/61/52/38/411615238.db2.gz SNWCOBMBWJNNTG-ZETCQYMHSA-N 0 3 248.342 3.221 20 0 BGADHN c1sc(C2CC2)nc1CN[C@@H]1CCCC12CC2 ZINC000657877844 488159735 /nfs/dbraw/zinc/15/97/35/488159735.db2.gz KNIPTGGQNOIPBI-GFCCVEGCSA-N 0 3 248.395 3.443 20 0 BGADHN c1sc(C2CC2)nc1CN[C@H]1CCCC12CC2 ZINC000657877846 488159351 /nfs/dbraw/zinc/15/93/51/488159351.db2.gz KNIPTGGQNOIPBI-LBPRGKRZSA-N 0 3 248.395 3.443 20 0 BGADHN CCc1nc(CN[C@@H]2CCCC23CC3)cs1 ZINC000657881597 488163568 /nfs/dbraw/zinc/16/35/68/488163568.db2.gz OZARFNPWNQJMPX-LLVKDONJSA-N 0 3 236.384 3.128 20 0 BGADHN CCc1nc(CN[C@H]2CCCC23CC3)cs1 ZINC000657881600 488163498 /nfs/dbraw/zinc/16/34/98/488163498.db2.gz OZARFNPWNQJMPX-NSHDSACASA-N 0 3 236.384 3.128 20 0 BGADHN CC(C)c1cc(CN[C@@H]2CCCC23CC3)on1 ZINC000657883499 411152252 /nfs/dbraw/zinc/15/22/52/411152252.db2.gz SYMGTOTZMVEHAF-CYBMUJFWSA-N 0 3 234.343 3.220 20 0 BGADHN CC(C)c1cc(CN[C@H]2CCCC23CC3)on1 ZINC000657883501 411152195 /nfs/dbraw/zinc/15/21/95/411152195.db2.gz SYMGTOTZMVEHAF-ZDUSSCGKSA-N 0 3 234.343 3.220 20 0 BGADHN CCc1cc(CN[C@H](C)C(C)(C)C(F)F)on1 ZINC000657890247 411154518 /nfs/dbraw/zinc/15/45/18/411154518.db2.gz UICMSPQOZDYTEM-MRVPVSSYSA-N 0 3 246.301 3.006 20 0 BGADHN CCc1cc(CN[C@@H](C)C(C)(C)C(F)F)on1 ZINC000657890250 411154477 /nfs/dbraw/zinc/15/44/77/411154477.db2.gz UICMSPQOZDYTEM-QMMMGPOBSA-N 0 3 246.301 3.006 20 0 BGADHN CCc1cc(CN[C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)on1 ZINC000657890923 411156242 /nfs/dbraw/zinc/15/62/42/411156242.db2.gz XQCRBIZTIIFLCY-HZSPNIEDSA-N 0 3 248.370 3.151 20 0 BGADHN CCc1cc(CN[C@H]2[C@@H]3CCC[C@@H]3C2(C)C)on1 ZINC000657890928 411155419 /nfs/dbraw/zinc/15/54/19/411155419.db2.gz XQCRBIZTIIFLCY-RDBSUJKOSA-N 0 3 248.370 3.151 20 0 BGADHN CCc1ccccc1CN[C@@H]1COC2(CCC2)C1 ZINC000657891285 411156272 /nfs/dbraw/zinc/15/62/72/411156272.db2.gz WMZUNXSXRMUUAI-HNNXBMFYSA-N 0 3 245.366 3.050 20 0 BGADHN CCc1ccccc1CN[C@H]1COC2(CCC2)C1 ZINC000657891289 411155958 /nfs/dbraw/zinc/15/59/58/411155958.db2.gz WMZUNXSXRMUUAI-OAHLLOKOSA-N 0 3 245.366 3.050 20 0 BGADHN Cc1cnc(CN[C@H](C)C(C)(C)C(F)F)s1 ZINC000657892770 411155923 /nfs/dbraw/zinc/15/59/23/411155923.db2.gz MIEGISXYQCEIPS-MRVPVSSYSA-N 0 3 248.342 3.221 20 0 BGADHN Cc1cnc(CN[C@@H](C)C(C)(C)C(F)F)s1 ZINC000657892772 411156064 /nfs/dbraw/zinc/15/60/64/411156064.db2.gz MIEGISXYQCEIPS-QMMMGPOBSA-N 0 3 248.342 3.221 20 0 BGADHN Cc1nc(CN[C@@H]2CCCC23CC3)sc1C ZINC000657896291 411158019 /nfs/dbraw/zinc/15/80/19/411158019.db2.gz SPDPNTVZQUNWOO-LLVKDONJSA-N 0 3 236.384 3.182 20 0 BGADHN Cc1nc(CN[C@H]2CCCC23CC3)sc1C ZINC000657896293 411158013 /nfs/dbraw/zinc/15/80/13/411158013.db2.gz SPDPNTVZQUNWOO-NSHDSACASA-N 0 3 236.384 3.182 20 0 BGADHN CCc1noc(CC)c1CN[C@H]1CCCC12CC2 ZINC000657903323 411161204 /nfs/dbraw/zinc/16/12/04/411161204.db2.gz MXFZGGWMEBHUOU-AWEZNQCLSA-N 0 3 248.370 3.222 20 0 BGADHN CCc1noc(CC)c1CN[C@@H]1CCCC12CC2 ZINC000657903325 411161073 /nfs/dbraw/zinc/16/10/73/411161073.db2.gz MXFZGGWMEBHUOU-CQSZACIVSA-N 0 3 248.370 3.222 20 0 BGADHN Fc1cccc(F)c1CN[C@@H]1CCCC12CC2 ZINC000657907457 411163395 /nfs/dbraw/zinc/16/33/95/411163395.db2.gz MMNLMEZRERHIAW-CYBMUJFWSA-N 0 3 237.293 3.387 20 0 BGADHN Fc1cccc(F)c1CN[C@H]1CCCC12CC2 ZINC000657907458 411163573 /nfs/dbraw/zinc/16/35/73/411163573.db2.gz MMNLMEZRERHIAW-ZDUSSCGKSA-N 0 3 237.293 3.387 20 0 BGADHN CC1(C)[C@H](NCc2ccc(F)cn2)[C@@H]2CCC[C@@H]21 ZINC000657908806 488180905 /nfs/dbraw/zinc/18/09/05/488180905.db2.gz BMYOYPGVOQXGJR-HZSPNIEDSA-N 0 3 248.345 3.135 20 0 BGADHN CC1(C)[C@H]2CCC[C@H]2[C@@H]1NCc1ccc(F)cn1 ZINC000657908809 488180547 /nfs/dbraw/zinc/18/05/47/488180547.db2.gz BMYOYPGVOQXGJR-RDBSUJKOSA-N 0 3 248.345 3.135 20 0 BGADHN C[C@@H](NC1CCC1)c1cc2cnccc2o1 ZINC000657914762 411165843 /nfs/dbraw/zinc/16/58/43/411165843.db2.gz WOUXUKCVQCKPEV-SECBINFHSA-N 0 3 216.284 3.031 20 0 BGADHN C[C@H](NC1CCC1)c1cc2cnccc2o1 ZINC000657914763 411165946 /nfs/dbraw/zinc/16/59/46/411165946.db2.gz WOUXUKCVQCKPEV-VIFPVBQESA-N 0 3 216.284 3.031 20 0 BGADHN C[C@@H](NCCCF)c1ccc(C(F)F)nc1 ZINC000657924553 411168121 /nfs/dbraw/zinc/16/81/21/411168121.db2.gz BOZRTPAHRRQJTM-MRVPVSSYSA-N 0 3 232.249 3.029 20 0 BGADHN C[C@H](NCCCF)c1ccc(C(F)F)nc1 ZINC000657924554 411168096 /nfs/dbraw/zinc/16/80/96/411168096.db2.gz BOZRTPAHRRQJTM-QMMMGPOBSA-N 0 3 232.249 3.029 20 0 BGADHN CC1(C)[C@H]2CCC[C@H]2[C@@H]1NCc1ncccc1F ZINC000657930026 411170871 /nfs/dbraw/zinc/17/08/71/411170871.db2.gz IJOUATAMCNTOFB-SUNKGSAMSA-N 0 3 248.345 3.135 20 0 BGADHN CC1(C)[C@H](NCc2ncccc2F)[C@@H]2CCC[C@@H]21 ZINC000657930028 411170227 /nfs/dbraw/zinc/17/02/27/411170227.db2.gz IJOUATAMCNTOFB-UHIISALHSA-N 0 3 248.345 3.135 20 0 BGADHN Clc1ccc(CN[C@@H]2CCCC23CC3)nc1 ZINC000657937695 411173257 /nfs/dbraw/zinc/17/32/57/411173257.db2.gz KSZNCFLRHHBBBX-GFCCVEGCSA-N 0 3 236.746 3.157 20 0 BGADHN Clc1ccc(CN[C@H]2CCCC23CC3)nc1 ZINC000657937698 411173029 /nfs/dbraw/zinc/17/30/29/411173029.db2.gz KSZNCFLRHHBBBX-LBPRGKRZSA-N 0 3 236.746 3.157 20 0 BGADHN Cc1cncc(CN[C@@H](C)C(C)(C)C(F)F)c1 ZINC000657938528 411173101 /nfs/dbraw/zinc/17/31/01/411173101.db2.gz YDLHNXXMSCMOLV-JTQLQIEISA-N 0 3 242.313 3.159 20 0 BGADHN Cc1cncc(CN[C@H](C)C(C)(C)C(F)F)c1 ZINC000657938532 411173299 /nfs/dbraw/zinc/17/32/99/411173299.db2.gz YDLHNXXMSCMOLV-SNVBAGLBSA-N 0 3 242.313 3.159 20 0 BGADHN Clc1ccc(CN[C@H]2CCCC23CC3)o1 ZINC000657940137 411175357 /nfs/dbraw/zinc/17/53/57/411175357.db2.gz FEWMQXJRDMZBJS-JTQLQIEISA-N 0 3 225.719 3.355 20 0 BGADHN Clc1ccc(CN[C@@H]2CCCC23CC3)o1 ZINC000657940138 411175703 /nfs/dbraw/zinc/17/57/03/411175703.db2.gz FEWMQXJRDMZBJS-SNVBAGLBSA-N 0 3 225.719 3.355 20 0 BGADHN Clc1ccc(CN[C@@H]2CCCSCC2)o1 ZINC000657941385 411175718 /nfs/dbraw/zinc/17/57/18/411175718.db2.gz UXLVTPMAPBNIAE-SECBINFHSA-N 0 3 245.775 3.308 20 0 BGADHN Clc1ccc(CN[C@H]2CCCSCC2)o1 ZINC000657941386 411175494 /nfs/dbraw/zinc/17/54/94/411175494.db2.gz UXLVTPMAPBNIAE-VIFPVBQESA-N 0 3 245.775 3.308 20 0 BGADHN FCC1(CF)CC(NCc2ccc(Cl)o2)C1 ZINC000657941553 411175650 /nfs/dbraw/zinc/17/56/50/411175650.db2.gz WSOWEBVVAFDAAN-UHFFFAOYSA-N 0 3 249.688 3.110 20 0 BGADHN C[C@@H](N[C@@H]1CC1(C)C)c1cc2cnccc2o1 ZINC000657942468 411176187 /nfs/dbraw/zinc/17/61/87/411176187.db2.gz HHZCLUCHQPMKEP-NOZJJQNGSA-N 0 3 230.311 3.277 20 0 BGADHN C[C@@H](N[C@H]1CC1(C)C)c1cc2cnccc2o1 ZINC000657942469 411176239 /nfs/dbraw/zinc/17/62/39/411176239.db2.gz HHZCLUCHQPMKEP-RNCFNFMXSA-N 0 3 230.311 3.277 20 0 BGADHN C[C@H](N[C@@H]1CC1(C)C)c1cc2cnccc2o1 ZINC000657942470 411176460 /nfs/dbraw/zinc/17/64/60/411176460.db2.gz HHZCLUCHQPMKEP-TVQRCGJNSA-N 0 3 230.311 3.277 20 0 BGADHN C[C@H](N[C@H]1CC1(C)C)c1cc2cnccc2o1 ZINC000657942471 411176508 /nfs/dbraw/zinc/17/65/08/411176508.db2.gz HHZCLUCHQPMKEP-ZANVPECISA-N 0 3 230.311 3.277 20 0 BGADHN C[C@H](N[C@@H]1CC1(C)C)c1ccc(C(F)F)nc1 ZINC000657942801 411176381 /nfs/dbraw/zinc/17/63/81/411176381.db2.gz LPPQWBITWRGJDO-GZMMTYOYSA-N 0 3 240.297 3.468 20 0 BGADHN C[C@@H](N[C@H]1CC1(C)C)c1ccc(C(F)F)nc1 ZINC000657942802 411176324 /nfs/dbraw/zinc/17/63/24/411176324.db2.gz LPPQWBITWRGJDO-KCJUWKMLSA-N 0 3 240.297 3.468 20 0 BGADHN C[C@H](N[C@H]1CC1(C)C)c1ccc(C(F)F)nc1 ZINC000657942803 411176054 /nfs/dbraw/zinc/17/60/54/411176054.db2.gz LPPQWBITWRGJDO-KWQFWETISA-N 0 3 240.297 3.468 20 0 BGADHN C[C@@H](N[C@@H]1CC1(C)C)c1ccc(C(F)F)nc1 ZINC000657942804 411176387 /nfs/dbraw/zinc/17/63/87/411176387.db2.gz LPPQWBITWRGJDO-LDYMZIIASA-N 0 3 240.297 3.468 20 0 BGADHN CN(C)Cc1cccc(N[C@H]2CCCC23CC3)c1 ZINC000657944066 411177232 /nfs/dbraw/zinc/17/72/32/411177232.db2.gz HKZRAVWUYPRNQM-HNNXBMFYSA-N 0 3 244.382 3.493 20 0 BGADHN CN(C)Cc1cccc(N[C@@H]2CCCC23CC3)c1 ZINC000657944068 411176950 /nfs/dbraw/zinc/17/69/50/411176950.db2.gz HKZRAVWUYPRNQM-OAHLLOKOSA-N 0 3 244.382 3.493 20 0 BGADHN CC(C)(N[C@@H]1COC(C)(C)C1)c1cccs1 ZINC000657945763 411177009 /nfs/dbraw/zinc/17/70/09/411177009.db2.gz QULYWDNMOWXETH-JTQLQIEISA-N 0 3 239.384 3.140 20 0 BGADHN CC(C)(N[C@H]1COC(C)(C)C1)c1cccs1 ZINC000657945764 411177195 /nfs/dbraw/zinc/17/71/95/411177195.db2.gz QULYWDNMOWXETH-SNVBAGLBSA-N 0 3 239.384 3.140 20 0 BGADHN C[C@H](NC1(C2CC2)CC1)c1cc2cnccc2o1 ZINC000657950701 411178853 /nfs/dbraw/zinc/17/88/53/411178853.db2.gz NVDBIXAKRKNPIB-JTQLQIEISA-N 0 3 242.322 3.421 20 0 BGADHN C[C@@H](NC1(C2CC2)CC1)c1cc2cnccc2o1 ZINC000657950702 411178783 /nfs/dbraw/zinc/17/87/83/411178783.db2.gz NVDBIXAKRKNPIB-SNVBAGLBSA-N 0 3 242.322 3.421 20 0 BGADHN Cc1cc(C)nc(N[C@@H]2CCCSCC2)c1 ZINC000657951811 411179205 /nfs/dbraw/zinc/17/92/05/411179205.db2.gz BZNUSXCJFKADQS-GFCCVEGCSA-N 0 3 236.384 3.396 20 0 BGADHN Cc1cc(C)nc(N[C@H]2CCCSCC2)c1 ZINC000657951812 411179197 /nfs/dbraw/zinc/17/91/97/411179197.db2.gz BZNUSXCJFKADQS-LBPRGKRZSA-N 0 3 236.384 3.396 20 0 BGADHN Cc1cc(C)nc(NC2CC(CF)(CF)C2)c1 ZINC000657952368 411180179 /nfs/dbraw/zinc/18/01/79/411180179.db2.gz GZDSHFVYNKTMOM-UHFFFAOYSA-N 0 3 240.297 3.198 20 0 BGADHN CCOC1CCC(Nc2cc(C)cc(C)n2)CC1 ZINC000657952428 411179610 /nfs/dbraw/zinc/17/96/10/411179610.db2.gz HYIZDJVLSBGAGU-UHFFFAOYSA-N 0 3 248.370 3.458 20 0 BGADHN Cc1cc(C)nc(N[C@@H]2CCCC23CC3)c1 ZINC000657952947 411179990 /nfs/dbraw/zinc/17/99/90/411179990.db2.gz KXEDLOPHQMQMKC-GFCCVEGCSA-N 0 3 216.328 3.443 20 0 BGADHN Cc1cc(C)nc(N[C@H]2CCCC23CC3)c1 ZINC000657952953 411180147 /nfs/dbraw/zinc/18/01/47/411180147.db2.gz KXEDLOPHQMQMKC-LBPRGKRZSA-N 0 3 216.328 3.443 20 0 BGADHN CC(C)=CCN[C@H](C)c1cc2cnccc2o1 ZINC000657988918 487513065 /nfs/dbraw/zinc/51/30/65/487513065.db2.gz KQOQUNHFRRWSOF-LLVKDONJSA-N 0 3 230.311 3.445 20 0 BGADHN CC(C)=CCN[C@@H](C)c1cc2cnccc2o1 ZINC000657988920 487512545 /nfs/dbraw/zinc/51/25/45/487512545.db2.gz KQOQUNHFRRWSOF-NSHDSACASA-N 0 3 230.311 3.445 20 0 BGADHN CC[C@H](Cc1ccc(Cl)cc1)NCCF ZINC000658003759 411194932 /nfs/dbraw/zinc/19/49/32/411194932.db2.gz PTKJAGHHVLGFPE-GFCCVEGCSA-N 0 3 229.726 3.220 20 0 BGADHN CC[C@@H](Cc1ccc(Cl)cc1)NCCF ZINC000658003760 411195189 /nfs/dbraw/zinc/19/51/89/411195189.db2.gz PTKJAGHHVLGFPE-LBPRGKRZSA-N 0 3 229.726 3.220 20 0 BGADHN C[C@H](N[C@H]1COC2(CCC2)C1)c1ccsc1 ZINC000658004272 411195025 /nfs/dbraw/zinc/19/50/25/411195025.db2.gz PGAXTRHGTWJDFW-CMPLNLGQSA-N 0 3 237.368 3.110 20 0 BGADHN C[C@H](N[C@@H]1COC2(CCC2)C1)c1ccsc1 ZINC000658004274 411195005 /nfs/dbraw/zinc/19/50/05/411195005.db2.gz PGAXTRHGTWJDFW-JQWIXIFHSA-N 0 3 237.368 3.110 20 0 BGADHN C[C@@H](N[C@@H]1COC2(CCC2)C1)c1ccsc1 ZINC000658004276 411194897 /nfs/dbraw/zinc/19/48/97/411194897.db2.gz PGAXTRHGTWJDFW-PWSUYJOCSA-N 0 3 237.368 3.110 20 0 BGADHN C[C@@H](N[C@H]1COC2(CCC2)C1)c1ccsc1 ZINC000658004279 411195056 /nfs/dbraw/zinc/19/50/56/411195056.db2.gz PGAXTRHGTWJDFW-ZYHUDNBSSA-N 0 3 237.368 3.110 20 0 BGADHN C[C@H](Cc1ccc2c(c1)CCCC2)NCCF ZINC000658004917 411194957 /nfs/dbraw/zinc/19/49/57/411194957.db2.gz YAYNOXVYYHYWCP-GFCCVEGCSA-N 0 3 235.346 3.056 20 0 BGADHN C[C@@H](Cc1ccc2c(c1)CCCC2)NCCF ZINC000658004929 411194998 /nfs/dbraw/zinc/19/49/98/411194998.db2.gz YAYNOXVYYHYWCP-LBPRGKRZSA-N 0 3 235.346 3.056 20 0 BGADHN Cc1ccoc1CN[C@H](C)C(C)(C)C(F)F ZINC000658020160 411200847 /nfs/dbraw/zinc/20/08/47/411200847.db2.gz DQBVHXZUGSJENH-SECBINFHSA-N 0 3 231.286 3.357 20 0 BGADHN Cc1ccoc1CN[C@@H](C)C(C)(C)C(F)F ZINC000658020162 411200908 /nfs/dbraw/zinc/20/09/08/411200908.db2.gz DQBVHXZUGSJENH-VIFPVBQESA-N 0 3 231.286 3.357 20 0 BGADHN CCOC1CCC(NCc2occc2C)CC1 ZINC000658020733 411200030 /nfs/dbraw/zinc/20/00/30/411200030.db2.gz IOWKTDNCHQPNBN-UHFFFAOYSA-N 0 3 237.343 3.025 20 0 BGADHN C[C@@H](F)CCN[C@@H](C)c1ccc(C(F)F)nc1 ZINC000658023123 411200641 /nfs/dbraw/zinc/20/06/41/411200641.db2.gz KMQVAVQLERABRR-BDAKNGLRSA-N 0 3 246.276 3.418 20 0 BGADHN C[C@@H](NCC[C@H](C)F)c1ccc(C(F)F)nc1 ZINC000658023124 411200790 /nfs/dbraw/zinc/20/07/90/411200790.db2.gz KMQVAVQLERABRR-DTWKUNHWSA-N 0 3 246.276 3.418 20 0 BGADHN C[C@H](F)CCN[C@@H](C)c1ccc(C(F)F)nc1 ZINC000658023125 411200567 /nfs/dbraw/zinc/20/05/67/411200567.db2.gz KMQVAVQLERABRR-IUCAKERBSA-N 0 3 246.276 3.418 20 0 BGADHN C[C@@H](F)CCN[C@H](C)c1ccc(C(F)F)nc1 ZINC000658023126 411200893 /nfs/dbraw/zinc/20/08/93/411200893.db2.gz KMQVAVQLERABRR-RKDXNWHRSA-N 0 3 246.276 3.418 20 0 BGADHN CC(C)(C)C1CC(N[C@H]2CCCn3nccc32)C1 ZINC000658023311 411201460 /nfs/dbraw/zinc/20/14/60/411201460.db2.gz MLKOVXLMRUDARD-BPCQOVAHSA-N 0 3 247.386 3.132 20 0 BGADHN CC(C)(C)C1CC(N[C@@H]2CCCn3nccc32)C1 ZINC000658023312 411201647 /nfs/dbraw/zinc/20/16/47/411201647.db2.gz MLKOVXLMRUDARD-WXRRBKDZSA-N 0 3 247.386 3.132 20 0 BGADHN C[C@@H](F)CCN[C@H](C)c1cc2cnccc2o1 ZINC000658024651 411202552 /nfs/dbraw/zinc/20/25/52/411202552.db2.gz ZVVSDHQRSWEJNL-NXEZZACHSA-N 0 3 236.290 3.227 20 0 BGADHN C[C@H](F)CCN[C@@H](C)c1cc2cnccc2o1 ZINC000658024652 411202564 /nfs/dbraw/zinc/20/25/64/411202564.db2.gz ZVVSDHQRSWEJNL-UWVGGRQHSA-N 0 3 236.290 3.227 20 0 BGADHN C[C@@H](NCC[C@H](C)F)c1cc2cnccc2o1 ZINC000658024653 411202444 /nfs/dbraw/zinc/20/24/44/411202444.db2.gz ZVVSDHQRSWEJNL-VHSXEESVSA-N 0 3 236.290 3.227 20 0 BGADHN C[C@@H](F)CCN[C@@H](C)c1cc2cnccc2o1 ZINC000658024654 411202449 /nfs/dbraw/zinc/20/24/49/411202449.db2.gz ZVVSDHQRSWEJNL-ZJUUUORDSA-N 0 3 236.290 3.227 20 0 BGADHN CC/C=C\CN[C@H](C)c1cc2cnccc2o1 ZINC000658026598 411203452 /nfs/dbraw/zinc/20/34/52/411203452.db2.gz FRAKCQJDBMUKKH-DOGVGXBMSA-N 0 3 230.311 3.445 20 0 BGADHN CC/C=C/CN[C@H](C)c1cc2cnccc2o1 ZINC000658026599 411203597 /nfs/dbraw/zinc/20/35/97/411203597.db2.gz FRAKCQJDBMUKKH-SGUJLRQBSA-N 0 3 230.311 3.445 20 0 BGADHN CC/C=C\CN[C@@H](C)c1cc2cnccc2o1 ZINC000658026600 411203575 /nfs/dbraw/zinc/20/35/75/411203575.db2.gz FRAKCQJDBMUKKH-WYGGZMRJSA-N 0 3 230.311 3.445 20 0 BGADHN CC/C=C/CN[C@@H](C)c1cc2cnccc2o1 ZINC000658026601 411203541 /nfs/dbraw/zinc/20/35/41/411203541.db2.gz FRAKCQJDBMUKKH-ZWNMCFTASA-N 0 3 230.311 3.445 20 0 BGADHN CCC1(N[C@@H](C)c2cc3cnccc3o2)CC1 ZINC000658027097 411204417 /nfs/dbraw/zinc/20/44/17/411204417.db2.gz KKIPQAAOGMSBIT-JTQLQIEISA-N 0 3 230.311 3.421 20 0 BGADHN CCC1(N[C@H](C)c2cc3cnccc3o2)CC1 ZINC000658027099 411204633 /nfs/dbraw/zinc/20/46/33/411204633.db2.gz KKIPQAAOGMSBIT-SNVBAGLBSA-N 0 3 230.311 3.421 20 0 BGADHN CCCc1ncc(CN[C@@H]2CCCC23CC3)o1 ZINC000658028581 411203745 /nfs/dbraw/zinc/20/37/45/411203745.db2.gz KDQQWZVVYGSFSS-GFCCVEGCSA-N 0 3 234.343 3.049 20 0 BGADHN CCCc1ncc(CN[C@H]2CCCC23CC3)o1 ZINC000658028583 411203665 /nfs/dbraw/zinc/20/36/65/411203665.db2.gz KDQQWZVVYGSFSS-LBPRGKRZSA-N 0 3 234.343 3.049 20 0 BGADHN CCc1ncc(CN[C@H](C)C(C)(C)C(F)F)o1 ZINC000658029861 411207763 /nfs/dbraw/zinc/20/77/63/411207763.db2.gz TVHNJRKHUOKBDL-MRVPVSSYSA-N 0 3 246.301 3.006 20 0 BGADHN CCc1ncc(CN[C@@H](C)C(C)(C)C(F)F)o1 ZINC000658029863 411207963 /nfs/dbraw/zinc/20/79/63/411207963.db2.gz TVHNJRKHUOKBDL-QMMMGPOBSA-N 0 3 246.301 3.006 20 0 BGADHN CCc1ncc(CN[C@H]2[C@@H]3CCC[C@@H]3C2(C)C)o1 ZINC000658030008 411207731 /nfs/dbraw/zinc/20/77/31/411207731.db2.gz VDYVDGXNUNTMJY-DYEKYZERSA-N 0 3 248.370 3.151 20 0 BGADHN CCc1ncc(CN[C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)o1 ZINC000658030009 411207783 /nfs/dbraw/zinc/20/77/83/411207783.db2.gz VDYVDGXNUNTMJY-MBNYWOFBSA-N 0 3 248.370 3.151 20 0 BGADHN CC[C@@H]1CCC[C@@H](N[C@@H](C)c2ccn(C)n2)CC1 ZINC000658033677 411208966 /nfs/dbraw/zinc/20/89/66/411208966.db2.gz HVQVUUJUXXYTCD-BFHYXJOUSA-N 0 3 249.402 3.430 20 0 BGADHN CC[C@@H]1CCC[C@H](N[C@H](C)c2ccn(C)n2)CC1 ZINC000658033678 411209008 /nfs/dbraw/zinc/20/90/08/411209008.db2.gz HVQVUUJUXXYTCD-MCIONIFRSA-N 0 3 249.402 3.430 20 0 BGADHN CC[C@@H]1CCC[C@@H](N[C@H](C)c2ccn(C)n2)CC1 ZINC000658033679 411209615 /nfs/dbraw/zinc/20/96/15/411209615.db2.gz HVQVUUJUXXYTCD-MGPQQGTHSA-N 0 3 249.402 3.430 20 0 BGADHN CC[C@@H]1CCC[C@H](N[C@@H](C)c2ccn(C)n2)CC1 ZINC000658033680 411209194 /nfs/dbraw/zinc/20/91/94/411209194.db2.gz HVQVUUJUXXYTCD-MJBXVCDLSA-N 0 3 249.402 3.430 20 0 BGADHN C[C@@H](N[C@@H]1CC12CC2)c1cc2cnccc2o1 ZINC000658037592 411213679 /nfs/dbraw/zinc/21/36/79/411213679.db2.gz HZLHKUHSILWPQV-NOZJJQNGSA-N 0 3 228.295 3.031 20 0 BGADHN C[C@@H](N[C@H]1CC12CC2)c1cc2cnccc2o1 ZINC000658037595 411213148 /nfs/dbraw/zinc/21/31/48/411213148.db2.gz HZLHKUHSILWPQV-RNCFNFMXSA-N 0 3 228.295 3.031 20 0 BGADHN C[C@H](N[C@@H]1CC12CC2)c1cc2cnccc2o1 ZINC000658037598 411213444 /nfs/dbraw/zinc/21/34/44/411213444.db2.gz HZLHKUHSILWPQV-TVQRCGJNSA-N 0 3 228.295 3.031 20 0 BGADHN C[C@H](N[C@H]1CC12CC2)c1cc2cnccc2o1 ZINC000658037601 411213057 /nfs/dbraw/zinc/21/30/57/411213057.db2.gz HZLHKUHSILWPQV-ZANVPECISA-N 0 3 228.295 3.031 20 0 BGADHN C[C@H](N[C@@H]1CC12CC2)c1ccc(C(F)F)nc1 ZINC000658039201 411214774 /nfs/dbraw/zinc/21/47/74/411214774.db2.gz XFGCZRNAAMSEEP-GZMMTYOYSA-N 0 3 238.281 3.222 20 0 BGADHN C[C@@H](N[C@H]1CC12CC2)c1ccc(C(F)F)nc1 ZINC000658039202 411214372 /nfs/dbraw/zinc/21/43/72/411214372.db2.gz XFGCZRNAAMSEEP-KCJUWKMLSA-N 0 3 238.281 3.222 20 0 BGADHN C[C@H](N[C@H]1CC12CC2)c1ccc(C(F)F)nc1 ZINC000658039203 411214878 /nfs/dbraw/zinc/21/48/78/411214878.db2.gz XFGCZRNAAMSEEP-KWQFWETISA-N 0 3 238.281 3.222 20 0 BGADHN C[C@@H](N[C@@H]1CC12CC2)c1ccc(C(F)F)nc1 ZINC000658039204 411214864 /nfs/dbraw/zinc/21/48/64/411214864.db2.gz XFGCZRNAAMSEEP-LDYMZIIASA-N 0 3 238.281 3.222 20 0 BGADHN Cc1ccccc1C1(N[C@H]2COC(C)(C)C2)CC1 ZINC000658043583 411216563 /nfs/dbraw/zinc/21/65/63/411216563.db2.gz CTMTVYSGONOLSU-CYBMUJFWSA-N 0 3 245.366 3.141 20 0 BGADHN Cc1ccccc1C1(N[C@@H]2COC(C)(C)C2)CC1 ZINC000658043584 411216498 /nfs/dbraw/zinc/21/64/98/411216498.db2.gz CTMTVYSGONOLSU-ZDUSSCGKSA-N 0 3 245.366 3.141 20 0 BGADHN CC(C)(C)C[C@@H]1C[C@H]1N[C@H]1CCCn2nccc21 ZINC000658047034 411218442 /nfs/dbraw/zinc/21/84/42/411218442.db2.gz OGCFZGPQDXWSLV-RWMBFGLXSA-N 0 3 247.386 3.132 20 0 BGADHN CC(C)(C)C[C@@H]1C[C@H]1N[C@@H]1CCCn2nccc21 ZINC000658047035 411218100 /nfs/dbraw/zinc/21/81/00/411218100.db2.gz OGCFZGPQDXWSLV-YNEHKIRRSA-N 0 3 247.386 3.132 20 0 BGADHN CCC[C@H](N[C@@H]1COC(C)(C)C1)c1cccnc1 ZINC000658057325 411224199 /nfs/dbraw/zinc/22/41/99/411224199.db2.gz GFYZTLMHPNWAQB-KBPBESRZSA-N 0 3 248.370 3.080 20 0 BGADHN CCC[C@H](N[C@H]1COC(C)(C)C1)c1cccnc1 ZINC000658057326 411223922 /nfs/dbraw/zinc/22/39/22/411223922.db2.gz GFYZTLMHPNWAQB-KGLIPLIRSA-N 0 3 248.370 3.080 20 0 BGADHN CCC[C@@H](N[C@@H]1COC(C)(C)C1)c1cccnc1 ZINC000658057327 411224277 /nfs/dbraw/zinc/22/42/77/411224277.db2.gz GFYZTLMHPNWAQB-UONOGXRCSA-N 0 3 248.370 3.080 20 0 BGADHN CCC[C@@H](N[C@H]1COC(C)(C)C1)c1cccnc1 ZINC000658057328 411223323 /nfs/dbraw/zinc/22/33/23/411223323.db2.gz GFYZTLMHPNWAQB-ZIAGYGMSSA-N 0 3 248.370 3.080 20 0 BGADHN COC1CC(CCN[C@@H](C)c2ccc(C)o2)C1 ZINC000658057726 411224380 /nfs/dbraw/zinc/22/43/80/411224380.db2.gz BDZUBIUTCJAACG-HIFPTAJRSA-N 0 3 237.343 3.054 20 0 BGADHN COC1CC(CCN[C@H](C)c2ccc(C)o2)C1 ZINC000658057727 411224422 /nfs/dbraw/zinc/22/44/22/411224422.db2.gz BDZUBIUTCJAACG-PNESKVBLSA-N 0 3 237.343 3.054 20 0 BGADHN CCc1ccc([C@@H](C)N[C@H]2COC(C)(C)C2)o1 ZINC000658058755 411225031 /nfs/dbraw/zinc/22/50/31/411225031.db2.gz PHKSPEVSEDSKIH-GHMZBOCLSA-N 0 3 237.343 3.060 20 0 BGADHN CCc1ccc([C@@H](C)N[C@@H]2COC(C)(C)C2)o1 ZINC000658058756 411225542 /nfs/dbraw/zinc/22/55/42/411225542.db2.gz PHKSPEVSEDSKIH-MNOVXSKESA-N 0 3 237.343 3.060 20 0 BGADHN CCc1ccc([C@H](C)N[C@@H]2COC(C)(C)C2)o1 ZINC000658058757 411225246 /nfs/dbraw/zinc/22/52/46/411225246.db2.gz PHKSPEVSEDSKIH-QWRGUYRKSA-N 0 3 237.343 3.060 20 0 BGADHN CCc1ccc([C@H](C)N[C@H]2COC(C)(C)C2)o1 ZINC000658058758 411224948 /nfs/dbraw/zinc/22/49/48/411224948.db2.gz PHKSPEVSEDSKIH-WDEREUQCSA-N 0 3 237.343 3.060 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2COC(C)(C)C2)oc1C ZINC000658059153 411225943 /nfs/dbraw/zinc/22/59/43/411225943.db2.gz RGTDVXNGOMXFBJ-CMPLNLGQSA-N 0 3 237.343 3.115 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2COC(C)(C)C2)oc1C ZINC000658059154 411224712 /nfs/dbraw/zinc/22/47/12/411224712.db2.gz RGTDVXNGOMXFBJ-JQWIXIFHSA-N 0 3 237.343 3.115 20 0 BGADHN Cc1cc([C@@H](C)N[C@@H]2COC(C)(C)C2)oc1C ZINC000658059155 411225569 /nfs/dbraw/zinc/22/55/69/411225569.db2.gz RGTDVXNGOMXFBJ-PWSUYJOCSA-N 0 3 237.343 3.115 20 0 BGADHN Cc1cc([C@@H](C)N[C@H]2COC(C)(C)C2)oc1C ZINC000658059156 411225289 /nfs/dbraw/zinc/22/52/89/411225289.db2.gz RGTDVXNGOMXFBJ-ZYHUDNBSSA-N 0 3 237.343 3.115 20 0 BGADHN C[C@H](CN[C@@H](C)c1ccco1)c1ccccn1 ZINC000658062804 411229143 /nfs/dbraw/zinc/22/91/43/411229143.db2.gz QJYUBBQZYKUYKI-NEPJUHHUSA-N 0 3 230.311 3.129 20 0 BGADHN C[C@@H](NC[C@H](C)c1ccccn1)c1ccco1 ZINC000658062806 411229786 /nfs/dbraw/zinc/22/97/86/411229786.db2.gz QJYUBBQZYKUYKI-NWDGAFQWSA-N 0 3 230.311 3.129 20 0 BGADHN C[C@@H](CN[C@@H](C)c1ccco1)c1ccccn1 ZINC000658062808 411229072 /nfs/dbraw/zinc/22/90/72/411229072.db2.gz QJYUBBQZYKUYKI-RYUDHWBXSA-N 0 3 230.311 3.129 20 0 BGADHN C[C@H](CN[C@H](C)c1ccco1)c1ccccn1 ZINC000658062810 411229271 /nfs/dbraw/zinc/22/92/71/411229271.db2.gz QJYUBBQZYKUYKI-VXGBXAGGSA-N 0 3 230.311 3.129 20 0 BGADHN Cc1ccc([C@H](C)NC[C@H](C)c2ccccn2)o1 ZINC000658063816 411229719 /nfs/dbraw/zinc/22/97/19/411229719.db2.gz WETIDOLRPVVXMB-AAEUAGOBSA-N 0 3 244.338 3.437 20 0 BGADHN Cc1ccc([C@@H](C)NC[C@@H](C)c2ccccn2)o1 ZINC000658063817 411229746 /nfs/dbraw/zinc/22/97/46/411229746.db2.gz WETIDOLRPVVXMB-DGCLKSJQSA-N 0 3 244.338 3.437 20 0 BGADHN Cc1ccc([C@@H](C)NC[C@H](C)c2ccccn2)o1 ZINC000658063818 411229607 /nfs/dbraw/zinc/22/96/07/411229607.db2.gz WETIDOLRPVVXMB-WCQYABFASA-N 0 3 244.338 3.437 20 0 BGADHN Cc1ccc([C@H](C)NC[C@@H](C)c2ccccn2)o1 ZINC000658063819 411229589 /nfs/dbraw/zinc/22/95/89/411229589.db2.gz WETIDOLRPVVXMB-YPMHNXCESA-N 0 3 244.338 3.437 20 0 BGADHN C[C@H](CN[C@@H](C)c1ccoc1)c1ccccn1 ZINC000658065375 411230941 /nfs/dbraw/zinc/23/09/41/411230941.db2.gz WWRWGWDYBWFGHG-NEPJUHHUSA-N 0 3 230.311 3.129 20 0 BGADHN C[C@@H](NC[C@H](C)c1ccccn1)c1ccoc1 ZINC000658065376 411231285 /nfs/dbraw/zinc/23/12/85/411231285.db2.gz WWRWGWDYBWFGHG-NWDGAFQWSA-N 0 3 230.311 3.129 20 0 BGADHN C[C@@H](CN[C@@H](C)c1ccoc1)c1ccccn1 ZINC000658065377 411231305 /nfs/dbraw/zinc/23/13/05/411231305.db2.gz WWRWGWDYBWFGHG-RYUDHWBXSA-N 0 3 230.311 3.129 20 0 BGADHN C[C@H](CN[C@H](C)c1ccoc1)c1ccccn1 ZINC000658065378 411231032 /nfs/dbraw/zinc/23/10/32/411231032.db2.gz WWRWGWDYBWFGHG-VXGBXAGGSA-N 0 3 230.311 3.129 20 0 BGADHN CC[C@H](COCC1CC1)N[C@H](C)c1ccoc1 ZINC000658090699 411242541 /nfs/dbraw/zinc/24/25/41/411242541.db2.gz MLJNNQGOMKVTIL-BXUZGUMPSA-N 0 3 237.343 3.135 20 0 BGADHN CC[C@@H](COCC1CC1)N[C@@H](C)c1ccoc1 ZINC000658090700 411242483 /nfs/dbraw/zinc/24/24/83/411242483.db2.gz MLJNNQGOMKVTIL-FZMZJTMJSA-N 0 3 237.343 3.135 20 0 BGADHN CC[C@@H](COCC1CC1)N[C@H](C)c1ccoc1 ZINC000658090701 411242400 /nfs/dbraw/zinc/24/24/00/411242400.db2.gz MLJNNQGOMKVTIL-RISCZKNCSA-N 0 3 237.343 3.135 20 0 BGADHN CC[C@H](COCC1CC1)N[C@@H](C)c1ccoc1 ZINC000658090702 411242327 /nfs/dbraw/zinc/24/23/27/411242327.db2.gz MLJNNQGOMKVTIL-SMDDNHRTSA-N 0 3 237.343 3.135 20 0 BGADHN CC[C@@H](COCC1CC1)N[C@@H](C)c1ccco1 ZINC000658091468 411241738 /nfs/dbraw/zinc/24/17/38/411241738.db2.gz SNPQLWVGBGVORX-AAEUAGOBSA-N 0 3 237.343 3.135 20 0 BGADHN CC[C@H](COCC1CC1)N[C@H](C)c1ccco1 ZINC000658091469 411241796 /nfs/dbraw/zinc/24/17/96/411241796.db2.gz SNPQLWVGBGVORX-DGCLKSJQSA-N 0 3 237.343 3.135 20 0 BGADHN CC[C@H](COCC1CC1)N[C@@H](C)c1ccco1 ZINC000658091470 411241791 /nfs/dbraw/zinc/24/17/91/411241791.db2.gz SNPQLWVGBGVORX-WCQYABFASA-N 0 3 237.343 3.135 20 0 BGADHN CC[C@@H](COCC1CC1)N[C@H](C)c1ccco1 ZINC000658091472 411242129 /nfs/dbraw/zinc/24/21/29/411242129.db2.gz SNPQLWVGBGVORX-YPMHNXCESA-N 0 3 237.343 3.135 20 0 BGADHN CC(C)=CCC[C@H](C)N[C@H]1C[C@H](C)n2ncnc21 ZINC000658099255 411244247 /nfs/dbraw/zinc/24/42/47/411244247.db2.gz VXPHYADZPTYDIU-AVGNSLFASA-N 0 3 248.374 3.008 20 0 BGADHN CC(C)=CCC[C@H](C)N[C@@H]1C[C@H](C)n2ncnc21 ZINC000658099257 411244880 /nfs/dbraw/zinc/24/48/80/411244880.db2.gz VXPHYADZPTYDIU-RWMBFGLXSA-N 0 3 248.374 3.008 20 0 BGADHN CC(C)=CCC[C@H](C)N[C@H]1C[C@@H](C)n2ncnc21 ZINC000658099259 411244297 /nfs/dbraw/zinc/24/42/97/411244297.db2.gz VXPHYADZPTYDIU-XQQFMLRXSA-N 0 3 248.374 3.008 20 0 BGADHN CC(C)=CCC[C@H](C)N[C@@H]1C[C@@H](C)n2ncnc21 ZINC000658099260 411245010 /nfs/dbraw/zinc/24/50/10/411245010.db2.gz VXPHYADZPTYDIU-YNEHKIRRSA-N 0 3 248.374 3.008 20 0 BGADHN CCC(C)(C)[C@H](C)N[C@H](C)c1nccnc1C ZINC000658113434 487544927 /nfs/dbraw/zinc/54/49/27/487544927.db2.gz HERLTOFCHYQXFH-NEPJUHHUSA-N 0 3 235.375 3.260 20 0 BGADHN CCC(C)(C)[C@@H](C)N[C@@H](C)c1nccnc1C ZINC000658113435 487545215 /nfs/dbraw/zinc/54/52/15/487545215.db2.gz HERLTOFCHYQXFH-NWDGAFQWSA-N 0 3 235.375 3.260 20 0 BGADHN CCC(C)(C)[C@H](C)N[C@@H](C)c1nccnc1C ZINC000658113436 487545094 /nfs/dbraw/zinc/54/50/94/487545094.db2.gz HERLTOFCHYQXFH-RYUDHWBXSA-N 0 3 235.375 3.260 20 0 BGADHN CCC(C)(C)[C@@H](C)N[C@H](C)c1nccnc1C ZINC000658113437 487544767 /nfs/dbraw/zinc/54/47/67/487544767.db2.gz HERLTOFCHYQXFH-VXGBXAGGSA-N 0 3 235.375 3.260 20 0 BGADHN CCC(C)(C)[C@H](C)N[C@H](C)c1cc2n(n1)CCC2 ZINC000658113495 487544868 /nfs/dbraw/zinc/54/48/68/487544868.db2.gz HOEYUNJTYYDWSW-NEPJUHHUSA-N 0 3 249.402 3.305 20 0 BGADHN CCC(C)(C)[C@@H](C)N[C@@H](C)c1cc2n(n1)CCC2 ZINC000658113496 487544356 /nfs/dbraw/zinc/54/43/56/487544356.db2.gz HOEYUNJTYYDWSW-NWDGAFQWSA-N 0 3 249.402 3.305 20 0 BGADHN CCC(C)(C)[C@H](C)N[C@@H](C)c1cc2n(n1)CCC2 ZINC000658113497 487544691 /nfs/dbraw/zinc/54/46/91/487544691.db2.gz HOEYUNJTYYDWSW-RYUDHWBXSA-N 0 3 249.402 3.305 20 0 BGADHN CCC(C)(C)[C@@H](C)N[C@H](C)c1cc2n(n1)CCC2 ZINC000658113498 487544455 /nfs/dbraw/zinc/54/44/55/487544455.db2.gz HOEYUNJTYYDWSW-VXGBXAGGSA-N 0 3 249.402 3.305 20 0 BGADHN CCC(C)(C)[C@H](C)N[C@H](C)c1cc(C)n(C)n1 ZINC000658114125 487546332 /nfs/dbraw/zinc/54/63/32/487546332.db2.gz LIETVQHSDRNYJT-NEPJUHHUSA-N 0 3 237.391 3.204 20 0 BGADHN CCC(C)(C)[C@@H](C)N[C@@H](C)c1cc(C)n(C)n1 ZINC000658114126 487546080 /nfs/dbraw/zinc/54/60/80/487546080.db2.gz LIETVQHSDRNYJT-NWDGAFQWSA-N 0 3 237.391 3.204 20 0 BGADHN CCC(C)(C)[C@H](C)N[C@@H](C)c1cc(C)n(C)n1 ZINC000658114127 487546125 /nfs/dbraw/zinc/54/61/25/487546125.db2.gz LIETVQHSDRNYJT-RYUDHWBXSA-N 0 3 237.391 3.204 20 0 BGADHN CCC(C)(C)[C@@H](C)N[C@H](C)c1cc(C)n(C)n1 ZINC000658114128 487545880 /nfs/dbraw/zinc/54/58/80/487545880.db2.gz LIETVQHSDRNYJT-VXGBXAGGSA-N 0 3 237.391 3.204 20 0 BGADHN CCC(C)(C)[C@@H](C)N[C@H](C)c1cc(C)on1 ZINC000658114498 490303954 /nfs/dbraw/zinc/30/39/54/490303954.db2.gz PJUNNBJRLVPBTG-GHMZBOCLSA-N 0 3 224.348 3.458 20 0 BGADHN CCC(C)(C)[C@H](C)N[C@H](C)c1cc(C)on1 ZINC000658114499 490303929 /nfs/dbraw/zinc/30/39/29/490303929.db2.gz PJUNNBJRLVPBTG-MNOVXSKESA-N 0 3 224.348 3.458 20 0 BGADHN CCC(C)(C)[C@H](C)N[C@@H](C)c1cc(C)on1 ZINC000658114500 490303702 /nfs/dbraw/zinc/30/37/02/490303702.db2.gz PJUNNBJRLVPBTG-QWRGUYRKSA-N 0 3 224.348 3.458 20 0 BGADHN CCC(C)(C)[C@@H](C)N[C@@H](C)c1cc(C)on1 ZINC000658114501 490303751 /nfs/dbraw/zinc/30/37/51/490303751.db2.gz PJUNNBJRLVPBTG-WDEREUQCSA-N 0 3 224.348 3.458 20 0 BGADHN CCC(C)(C)[C@@H](C)N[C@H]1CCCn2ccnc21 ZINC000658114951 487547806 /nfs/dbraw/zinc/54/78/06/487547806.db2.gz SRGIMPJJTWNMNL-NEPJUHHUSA-N 0 3 235.375 3.132 20 0 BGADHN CCC(C)(C)[C@H](C)N[C@@H]1CCCn2ccnc21 ZINC000658114952 487547702 /nfs/dbraw/zinc/54/77/02/487547702.db2.gz SRGIMPJJTWNMNL-NWDGAFQWSA-N 0 3 235.375 3.132 20 0 BGADHN CCC(C)(C)[C@H](C)N[C@H]1CCCn2ccnc21 ZINC000658114954 487547760 /nfs/dbraw/zinc/54/77/60/487547760.db2.gz SRGIMPJJTWNMNL-RYUDHWBXSA-N 0 3 235.375 3.132 20 0 BGADHN CCC(C)(C)[C@@H](C)N[C@@H]1CCCn2ccnc21 ZINC000658114956 487547765 /nfs/dbraw/zinc/54/77/65/487547765.db2.gz SRGIMPJJTWNMNL-VXGBXAGGSA-N 0 3 235.375 3.132 20 0 BGADHN CC[C@H](N[C@H](C)C(C)(C)CC)c1ccn(C)n1 ZINC000658116067 411248858 /nfs/dbraw/zinc/24/88/58/411248858.db2.gz YLECGCFEMHXEDO-NEPJUHHUSA-N 0 3 237.391 3.286 20 0 BGADHN CC[C@@H](N[C@@H](C)C(C)(C)CC)c1ccn(C)n1 ZINC000658116069 411249124 /nfs/dbraw/zinc/24/91/24/411249124.db2.gz YLECGCFEMHXEDO-NWDGAFQWSA-N 0 3 237.391 3.286 20 0 BGADHN CC[C@H](N[C@@H](C)C(C)(C)CC)c1ccn(C)n1 ZINC000658116073 411249284 /nfs/dbraw/zinc/24/92/84/411249284.db2.gz YLECGCFEMHXEDO-RYUDHWBXSA-N 0 3 237.391 3.286 20 0 BGADHN CC[C@@H](N[C@H](C)C(C)(C)CC)c1ccn(C)n1 ZINC000658116076 411249095 /nfs/dbraw/zinc/24/90/95/411249095.db2.gz YLECGCFEMHXEDO-VXGBXAGGSA-N 0 3 237.391 3.286 20 0 BGADHN CC[C@@H](C)CCN[C@H](C)c1ccc(F)cn1 ZINC000658119363 411250025 /nfs/dbraw/zinc/25/00/25/411250025.db2.gz DVGMOJSVFVHCPC-GHMZBOCLSA-N 0 3 224.323 3.308 20 0 BGADHN CC[C@@H](C)CCN[C@@H](C)c1ccc(F)cn1 ZINC000658119367 411250421 /nfs/dbraw/zinc/25/04/21/411250421.db2.gz DVGMOJSVFVHCPC-MNOVXSKESA-N 0 3 224.323 3.308 20 0 BGADHN CC[C@H](C)CCN[C@@H](C)c1ccc(F)cn1 ZINC000658119368 411250055 /nfs/dbraw/zinc/25/00/55/411250055.db2.gz DVGMOJSVFVHCPC-QWRGUYRKSA-N 0 3 224.323 3.308 20 0 BGADHN CC[C@H](C)CCN[C@H](C)c1ccc(F)cn1 ZINC000658119372 411249983 /nfs/dbraw/zinc/24/99/83/411249983.db2.gz DVGMOJSVFVHCPC-WDEREUQCSA-N 0 3 224.323 3.308 20 0 BGADHN CC[C@H](C)CCN[C@H](C)c1cc(C)on1 ZINC000658121882 411251787 /nfs/dbraw/zinc/25/17/87/411251787.db2.gz RSBAUTHHCPVYPN-GXSJLCMTSA-N 0 3 210.321 3.070 20 0 BGADHN CC[C@@H](C)CCN[C@@H](C)c1cc(C)on1 ZINC000658121883 411251285 /nfs/dbraw/zinc/25/12/85/411251285.db2.gz RSBAUTHHCPVYPN-KOLCDFICSA-N 0 3 210.321 3.070 20 0 BGADHN CC[C@@H](C)CCN[C@H](C)c1cc(C)on1 ZINC000658121884 411251613 /nfs/dbraw/zinc/25/16/13/411251613.db2.gz RSBAUTHHCPVYPN-MWLCHTKSSA-N 0 3 210.321 3.070 20 0 BGADHN CC[C@H](C)CCN[C@@H](C)c1cc(C)on1 ZINC000658121885 411251336 /nfs/dbraw/zinc/25/13/36/411251336.db2.gz RSBAUTHHCPVYPN-ONGXEEELSA-N 0 3 210.321 3.070 20 0 BGADHN CC[C@@H](C)CCN[C@H](C)c1cc2n(n1)CCCC2 ZINC000658122365 411251546 /nfs/dbraw/zinc/25/15/46/411251546.db2.gz FEVFGVRKRWNNQJ-CHWSQXEVSA-N 0 3 249.402 3.306 20 0 BGADHN CC[C@@H](C)CCN[C@@H](C)c1cc2n(n1)CCCC2 ZINC000658122366 411251664 /nfs/dbraw/zinc/25/16/64/411251664.db2.gz FEVFGVRKRWNNQJ-OLZOCXBDSA-N 0 3 249.402 3.306 20 0 BGADHN CC[C@H](C)CCN[C@H](C)c1cc2n(n1)CCCC2 ZINC000658122367 411251388 /nfs/dbraw/zinc/25/13/88/411251388.db2.gz FEVFGVRKRWNNQJ-QWHCGFSZSA-N 0 3 249.402 3.306 20 0 BGADHN CC[C@H](C)CCN[C@@H](C)c1cc2n(n1)CCCC2 ZINC000658122368 411251642 /nfs/dbraw/zinc/25/16/42/411251642.db2.gz FEVFGVRKRWNNQJ-STQMWFEESA-N 0 3 249.402 3.306 20 0 BGADHN CC[C@@H](C)CCN[C@H](C)c1cn2ccccc2n1 ZINC000658122613 411251462 /nfs/dbraw/zinc/25/14/62/411251462.db2.gz VOCKZDZDBDXMEH-CHWSQXEVSA-N 0 3 245.370 3.421 20 0 BGADHN CC[C@@H](C)CCN[C@@H](C)c1cn2ccccc2n1 ZINC000658122615 411251489 /nfs/dbraw/zinc/25/14/89/411251489.db2.gz VOCKZDZDBDXMEH-OLZOCXBDSA-N 0 3 245.370 3.421 20 0 BGADHN CC[C@H](C)CCN[C@H](C)c1cn2ccccc2n1 ZINC000658122616 411251630 /nfs/dbraw/zinc/25/16/30/411251630.db2.gz VOCKZDZDBDXMEH-QWHCGFSZSA-N 0 3 245.370 3.421 20 0 BGADHN CC[C@H](C)CCN[C@@H](C)c1cn2ccccc2n1 ZINC000658122618 411251589 /nfs/dbraw/zinc/25/15/89/411251589.db2.gz VOCKZDZDBDXMEH-STQMWFEESA-N 0 3 245.370 3.421 20 0 BGADHN CC[C@@H](C)CCN[C@H](C)c1cscn1 ZINC000658123306 411252358 /nfs/dbraw/zinc/25/23/58/411252358.db2.gz YBVBQXHQZYAFSX-NXEZZACHSA-N 0 3 212.362 3.230 20 0 BGADHN CC[C@H](C)CCN[C@@H](C)c1cscn1 ZINC000658123307 411252543 /nfs/dbraw/zinc/25/25/43/411252543.db2.gz YBVBQXHQZYAFSX-UWVGGRQHSA-N 0 3 212.362 3.230 20 0 BGADHN CC[C@H](C)CCN[C@H](C)c1cscn1 ZINC000658123308 411252321 /nfs/dbraw/zinc/25/23/21/411252321.db2.gz YBVBQXHQZYAFSX-VHSXEESVSA-N 0 3 212.362 3.230 20 0 BGADHN CC[C@@H](C)CCN[C@@H](C)c1cscn1 ZINC000658123309 411252229 /nfs/dbraw/zinc/25/22/29/411252229.db2.gz YBVBQXHQZYAFSX-ZJUUUORDSA-N 0 3 212.362 3.230 20 0 BGADHN Cc1ccc([C@@H](C)NCCc2cnccc2C)o1 ZINC000658124678 411252514 /nfs/dbraw/zinc/25/25/14/411252514.db2.gz IAHADUXFBBMUMQ-CYBMUJFWSA-N 0 3 244.338 3.185 20 0 BGADHN Cc1ccc([C@H](C)NCCc2cnccc2C)o1 ZINC000658124680 411252298 /nfs/dbraw/zinc/25/22/98/411252298.db2.gz IAHADUXFBBMUMQ-ZDUSSCGKSA-N 0 3 244.338 3.185 20 0 BGADHN C[C@@H](NCC1C[C@H](C)C[C@@H](C)C1)c1ccn(C)n1 ZINC000658126737 411253249 /nfs/dbraw/zinc/25/32/49/411253249.db2.gz IGNNHZWMMTUOJD-JHJVBQTASA-N 0 3 249.402 3.143 20 0 BGADHN C[C@H](NC[C@H]1C[C@H](C)C[C@H](C)C1)c1ccn(C)n1 ZINC000658126738 411253740 /nfs/dbraw/zinc/25/37/40/411253740.db2.gz IGNNHZWMMTUOJD-RFQIPJPRSA-N 0 3 249.402 3.143 20 0 BGADHN C[C@@H](NC[C@H]1C[C@H](C)C[C@H](C)C1)c1ccn(C)n1 ZINC000658126739 411254307 /nfs/dbraw/zinc/25/43/07/411254307.db2.gz IGNNHZWMMTUOJD-RQJABVFESA-N 0 3 249.402 3.143 20 0 BGADHN C[C@H](NCC1C[C@H](C)C[C@@H](C)C1)c1ccn(C)n1 ZINC000658126740 411254278 /nfs/dbraw/zinc/25/42/78/411254278.db2.gz IGNNHZWMMTUOJD-UPJWGTAASA-N 0 3 249.402 3.143 20 0 BGADHN C[C@@H](NCC1C[C@H](C)C[C@@H](C)C1)c1ccncn1 ZINC000658128095 411254446 /nfs/dbraw/zinc/25/44/46/411254446.db2.gz RVSXYRHTZITJOY-JHJVBQTASA-N 0 3 247.386 3.200 20 0 BGADHN C[C@H](NC[C@H]1C[C@H](C)C[C@H](C)C1)c1ccncn1 ZINC000658128097 411254173 /nfs/dbraw/zinc/25/41/73/411254173.db2.gz RVSXYRHTZITJOY-RFQIPJPRSA-N 0 3 247.386 3.200 20 0 BGADHN C[C@@H](NC[C@H]1C[C@H](C)C[C@H](C)C1)c1ccncn1 ZINC000658128099 411254381 /nfs/dbraw/zinc/25/43/81/411254381.db2.gz RVSXYRHTZITJOY-RQJABVFESA-N 0 3 247.386 3.200 20 0 BGADHN C[C@H](NCC1C[C@H](C)C[C@@H](C)C1)c1ccncn1 ZINC000658128101 411254340 /nfs/dbraw/zinc/25/43/40/411254340.db2.gz RVSXYRHTZITJOY-UPJWGTAASA-N 0 3 247.386 3.200 20 0 BGADHN C[C@@H](NCC1C[C@H](C)C[C@@H](C)C1)c1nccn1C ZINC000658128126 411254137 /nfs/dbraw/zinc/25/41/37/411254137.db2.gz RYHGHFSBNYWKQI-JHJVBQTASA-N 0 3 249.402 3.143 20 0 BGADHN C[C@H](NC[C@H]1C[C@H](C)C[C@H](C)C1)c1nccn1C ZINC000658128129 411254358 /nfs/dbraw/zinc/25/43/58/411254358.db2.gz RYHGHFSBNYWKQI-RFQIPJPRSA-N 0 3 249.402 3.143 20 0 BGADHN C[C@@H](NC[C@H]1C[C@H](C)C[C@H](C)C1)c1nccn1C ZINC000658128131 411254231 /nfs/dbraw/zinc/25/42/31/411254231.db2.gz RYHGHFSBNYWKQI-RQJABVFESA-N 0 3 249.402 3.143 20 0 BGADHN C[C@H](NCC1C[C@H](C)C[C@@H](C)C1)c1nccn1C ZINC000658128132 411254056 /nfs/dbraw/zinc/25/40/56/411254056.db2.gz RYHGHFSBNYWKQI-UPJWGTAASA-N 0 3 249.402 3.143 20 0 BGADHN CC(C)Cc1ccc([C@@H](C)NC/C=C/CO)cc1 ZINC000658131609 411255042 /nfs/dbraw/zinc/25/50/42/411255042.db2.gz FALMCZWOQQJYAW-ISZGNANSSA-N 0 3 247.382 3.084 20 0 BGADHN CC(C)Cc1ccc([C@H](C)NC/C=C/CO)cc1 ZINC000658131610 411255575 /nfs/dbraw/zinc/25/55/75/411255575.db2.gz FALMCZWOQQJYAW-NNTXTVRGSA-N 0 3 247.382 3.084 20 0 BGADHN CC(C)Cc1ccc([C@H](C)NC/C=C\CO)cc1 ZINC000658131611 411255542 /nfs/dbraw/zinc/25/55/42/411255542.db2.gz FALMCZWOQQJYAW-WSNITJDQSA-N 0 3 247.382 3.084 20 0 BGADHN CC(C)Cc1ccc([C@@H](C)NC/C=C\CO)cc1 ZINC000658131613 411255568 /nfs/dbraw/zinc/25/55/68/411255568.db2.gz FALMCZWOQQJYAW-ZRUQZJFASA-N 0 3 247.382 3.084 20 0 BGADHN CCCCc1ccc([C@@H](C)NC/C=C\CO)cc1 ZINC000658131943 411254945 /nfs/dbraw/zinc/25/49/45/411254945.db2.gz HOIARQLCVOLZJV-GEXIGZQTSA-N 0 3 247.382 3.228 20 0 BGADHN CCCCc1ccc([C@H](C)NC/C=C/CO)cc1 ZINC000658131944 411255246 /nfs/dbraw/zinc/25/52/46/411255246.db2.gz HOIARQLCVOLZJV-GJBLVYBDSA-N 0 3 247.382 3.228 20 0 BGADHN CCCCc1ccc([C@H](C)NC/C=C\CO)cc1 ZINC000658131945 411255455 /nfs/dbraw/zinc/25/54/55/411255455.db2.gz HOIARQLCVOLZJV-GXMNPTEKSA-N 0 3 247.382 3.228 20 0 BGADHN CCCCc1ccc([C@@H](C)NC/C=C/CO)cc1 ZINC000658131946 411255503 /nfs/dbraw/zinc/25/55/03/411255503.db2.gz HOIARQLCVOLZJV-VBROQKIQSA-N 0 3 247.382 3.228 20 0 BGADHN CCCC[C@H](NC/C=C/CO)c1ccccc1 ZINC000658132371 411256664 /nfs/dbraw/zinc/25/66/64/411256664.db2.gz HNZZWWNJEPBDFP-KIUWMYQTSA-N 0 3 233.355 3.056 20 0 BGADHN CCCC[C@H](NC/C=C\CO)c1ccccc1 ZINC000658132372 411256951 /nfs/dbraw/zinc/25/69/51/411256951.db2.gz HNZZWWNJEPBDFP-LZNQSLFOSA-N 0 3 233.355 3.056 20 0 BGADHN CCCC[C@@H](NC/C=C/CO)c1ccccc1 ZINC000658132373 411256570 /nfs/dbraw/zinc/25/65/70/411256570.db2.gz HNZZWWNJEPBDFP-MVGZEHJDSA-N 0 3 233.355 3.056 20 0 BGADHN CCCC[C@@H](NC/C=C\CO)c1ccccc1 ZINC000658132374 411256152 /nfs/dbraw/zinc/25/61/52/411256152.db2.gz HNZZWWNJEPBDFP-ZPIQOJFGSA-N 0 3 233.355 3.056 20 0 BGADHN C[C@@H](NC/C=C\CO)c1cc2ccccc2s1 ZINC000658132707 411256830 /nfs/dbraw/zinc/25/68/30/411256830.db2.gz BCABKUPEHOFGTL-DOGVGXBMSA-N 0 3 247.363 3.100 20 0 BGADHN C[C@@H](NC/C=C/CO)c1cc2ccccc2s1 ZINC000658132709 411255979 /nfs/dbraw/zinc/25/59/79/411255979.db2.gz BCABKUPEHOFGTL-SGUJLRQBSA-N 0 3 247.363 3.100 20 0 BGADHN C[C@H](NC/C=C\CO)c1cc2ccccc2s1 ZINC000658132715 411256817 /nfs/dbraw/zinc/25/68/17/411256817.db2.gz BCABKUPEHOFGTL-WYGGZMRJSA-N 0 3 247.363 3.100 20 0 BGADHN C[C@H](NC/C=C/CO)c1cc2ccccc2s1 ZINC000658132716 411256999 /nfs/dbraw/zinc/25/69/99/411256999.db2.gz BCABKUPEHOFGTL-ZWNMCFTASA-N 0 3 247.363 3.100 20 0 BGADHN CCc1ccc([C@@H](NC/C=C/CO)C(C)C)cc1 ZINC000658133619 411258298 /nfs/dbraw/zinc/25/82/98/411258298.db2.gz GBXQKLUWIMNKSP-JFDDCEBESA-N 0 3 247.382 3.084 20 0 BGADHN CCc1ccc([C@@H](NC/C=C\CO)C(C)C)cc1 ZINC000658133620 411257631 /nfs/dbraw/zinc/25/76/31/411257631.db2.gz GBXQKLUWIMNKSP-KJPDOMRESA-N 0 3 247.382 3.084 20 0 BGADHN CCc1ccc([C@H](NC/C=C\CO)C(C)C)cc1 ZINC000658133621 411258289 /nfs/dbraw/zinc/25/82/89/411258289.db2.gz GBXQKLUWIMNKSP-OGZRUICASA-N 0 3 247.382 3.084 20 0 BGADHN CCc1ccc([C@H](NC/C=C/CO)C(C)C)cc1 ZINC000658133622 411258150 /nfs/dbraw/zinc/25/81/50/411258150.db2.gz GBXQKLUWIMNKSP-SQRWCISFSA-N 0 3 247.382 3.084 20 0 BGADHN C[C@@H](NC/C=C\CO)c1ccc(C(C)(C)C)cc1 ZINC000658134950 411259916 /nfs/dbraw/zinc/25/99/16/411259916.db2.gz XOCIDOIQSSJKEE-CFHLNLSMSA-N 0 3 247.382 3.183 20 0 BGADHN C[C@H](NC/C=C/CO)c1ccc(C(C)(C)C)cc1 ZINC000658134951 411259670 /nfs/dbraw/zinc/25/96/70/411259670.db2.gz XOCIDOIQSSJKEE-GFUIURDCSA-N 0 3 247.382 3.183 20 0 BGADHN C[C@H](NC/C=C\CO)c1ccc(C(C)(C)C)cc1 ZINC000658134952 411260165 /nfs/dbraw/zinc/26/01/65/411260165.db2.gz XOCIDOIQSSJKEE-SZZPACECSA-N 0 3 247.382 3.183 20 0 BGADHN C[C@@H](NC/C=C/CO)c1ccc(C(C)(C)C)cc1 ZINC000658134955 411259375 /nfs/dbraw/zinc/25/93/75/411259375.db2.gz XOCIDOIQSSJKEE-URWSZGRFSA-N 0 3 247.382 3.183 20 0 BGADHN C[C@@H](NC/C=C\CO)c1ccc2ccccc2c1 ZINC000658135522 411260576 /nfs/dbraw/zinc/26/05/76/411260576.db2.gz ZHSGUIKXMVYIQL-DSYXLKISSA-N 0 3 241.334 3.039 20 0 BGADHN C[C@H](NC/C=C/CO)c1ccc2ccccc2c1 ZINC000658135523 411261073 /nfs/dbraw/zinc/26/10/73/411261073.db2.gz ZHSGUIKXMVYIQL-IHVVCDCBSA-N 0 3 241.334 3.039 20 0 BGADHN C[C@@H](NC/C=C/CO)c1ccc2ccccc2c1 ZINC000658135525 411261056 /nfs/dbraw/zinc/26/10/56/411261056.db2.gz ZHSGUIKXMVYIQL-MUBLQREKSA-N 0 3 241.334 3.039 20 0 BGADHN C[C@H](NC/C=C\CO)c1ccc2ccccc2c1 ZINC000658135527 411260556 /nfs/dbraw/zinc/26/05/56/411260556.db2.gz ZHSGUIKXMVYIQL-ZFDPJTLLSA-N 0 3 241.334 3.039 20 0 BGADHN CC(C)c1ccc([C@@H](C)NC/C=C\CO)cc1 ZINC000658135764 411261306 /nfs/dbraw/zinc/26/13/06/411261306.db2.gz VGEOTUZXRSWKRL-DSYXLKISSA-N 0 3 233.355 3.009 20 0 BGADHN CC(C)c1ccc([C@H](C)NC/C=C/CO)cc1 ZINC000658135766 411260473 /nfs/dbraw/zinc/26/04/73/411260473.db2.gz VGEOTUZXRSWKRL-IHVVCDCBSA-N 0 3 233.355 3.009 20 0 BGADHN CC(C)c1ccc([C@@H](C)NC/C=C/CO)cc1 ZINC000658135767 411260958 /nfs/dbraw/zinc/26/09/58/411260958.db2.gz VGEOTUZXRSWKRL-MUBLQREKSA-N 0 3 233.355 3.009 20 0 BGADHN CC(C)c1ccc([C@H](C)NC/C=C\CO)cc1 ZINC000658135770 411260657 /nfs/dbraw/zinc/26/06/57/411260657.db2.gz VGEOTUZXRSWKRL-ZFDPJTLLSA-N 0 3 233.355 3.009 20 0 BGADHN CC(C)(C)C[C@H](NC/C=C/CO)c1ccccc1 ZINC000658139316 411263647 /nfs/dbraw/zinc/26/36/47/411263647.db2.gz OTJNEJXEVIWNGX-KIUWMYQTSA-N 0 3 247.382 3.302 20 0 BGADHN CC(C)(C)C[C@H](NC/C=C\CO)c1ccccc1 ZINC000658139319 411263073 /nfs/dbraw/zinc/26/30/73/411263073.db2.gz OTJNEJXEVIWNGX-LZNQSLFOSA-N 0 3 247.382 3.302 20 0 BGADHN CC(C)(C)C[C@@H](NC/C=C/CO)c1ccccc1 ZINC000658139322 411263109 /nfs/dbraw/zinc/26/31/09/411263109.db2.gz OTJNEJXEVIWNGX-MVGZEHJDSA-N 0 3 247.382 3.302 20 0 BGADHN CC(C)(C)C[C@@H](NC/C=C\CO)c1ccccc1 ZINC000658139326 411262961 /nfs/dbraw/zinc/26/29/61/411262961.db2.gz OTJNEJXEVIWNGX-ZPIQOJFGSA-N 0 3 247.382 3.302 20 0 BGADHN CC(C)Cc1cccc([C@@H](C)NC/C=C/CO)c1 ZINC000658139770 411263477 /nfs/dbraw/zinc/26/34/77/411263477.db2.gz RZJKGSIBOUWGHQ-ISZGNANSSA-N 0 3 247.382 3.084 20 0 BGADHN CC(C)Cc1cccc([C@H](C)NC/C=C/CO)c1 ZINC000658139771 411265139 /nfs/dbraw/zinc/26/51/39/411265139.db2.gz RZJKGSIBOUWGHQ-NNTXTVRGSA-N 0 3 247.382 3.084 20 0 BGADHN CC(C)Cc1cccc([C@H](C)NC/C=C\CO)c1 ZINC000658139772 411264372 /nfs/dbraw/zinc/26/43/72/411264372.db2.gz RZJKGSIBOUWGHQ-WSNITJDQSA-N 0 3 247.382 3.084 20 0 BGADHN CC(C)Cc1cccc([C@@H](C)NC/C=C\CO)c1 ZINC000658139774 411264820 /nfs/dbraw/zinc/26/48/20/411264820.db2.gz RZJKGSIBOUWGHQ-ZRUQZJFASA-N 0 3 247.382 3.084 20 0 BGADHN CC(C)[C@@H]1C[C@H](NC/C=C/CO)c2ccccc21 ZINC000658140999 411264669 /nfs/dbraw/zinc/26/46/69/411264669.db2.gz UIZMRJDWUWZPRJ-DKLOGILVSA-N 0 3 245.366 3.009 20 0 BGADHN CC(C)[C@@H]1C[C@@H](NC/C=C/CO)c2ccccc21 ZINC000658141001 411264553 /nfs/dbraw/zinc/26/45/53/411264553.db2.gz UIZMRJDWUWZPRJ-DZEZYYDTSA-N 0 3 245.366 3.009 20 0 BGADHN CC(C)[C@@H]1C[C@@H](NC/C=C\CO)c2ccccc21 ZINC000658141002 411265184 /nfs/dbraw/zinc/26/51/84/411265184.db2.gz UIZMRJDWUWZPRJ-LGZALOBFSA-N 0 3 245.366 3.009 20 0 BGADHN CC(C)[C@@H]1C[C@H](NC/C=C\CO)c2ccccc21 ZINC000658141003 411264520 /nfs/dbraw/zinc/26/45/20/411264520.db2.gz UIZMRJDWUWZPRJ-XFCCUVRLSA-N 0 3 245.366 3.009 20 0 BGADHN OC/C=C/CN[C@@H](CC1CCC1)c1ccccc1 ZINC000658141457 411264687 /nfs/dbraw/zinc/26/46/87/411264687.db2.gz VLQMOLNSXPHAAD-APHBUQMISA-N 0 3 245.366 3.056 20 0 BGADHN OC/C=C\CN[C@@H](CC1CCC1)c1ccccc1 ZINC000658141459 411265093 /nfs/dbraw/zinc/26/50/93/411265093.db2.gz VLQMOLNSXPHAAD-AWFCHZOYSA-N 0 3 245.366 3.056 20 0 BGADHN OC/C=C/CN[C@H](CC1CCC1)c1ccccc1 ZINC000658141460 411264320 /nfs/dbraw/zinc/26/43/20/411264320.db2.gz VLQMOLNSXPHAAD-DWTRPJMMSA-N 0 3 245.366 3.056 20 0 BGADHN OC/C=C\CN[C@H](CC1CCC1)c1ccccc1 ZINC000658141463 411264704 /nfs/dbraw/zinc/26/47/04/411264704.db2.gz VLQMOLNSXPHAAD-YIEVGGLXSA-N 0 3 245.366 3.056 20 0 BGADHN C[C@@H](N[C@@H]1CCCSCC1)c1cscn1 ZINC000658150867 411266449 /nfs/dbraw/zinc/26/64/49/411266449.db2.gz BUASPZASUCFCBT-NXEZZACHSA-N 0 3 242.413 3.079 20 0 BGADHN C[C@H](N[C@H]1CCCSCC1)c1cscn1 ZINC000658150868 411266295 /nfs/dbraw/zinc/26/62/95/411266295.db2.gz BUASPZASUCFCBT-UWVGGRQHSA-N 0 3 242.413 3.079 20 0 BGADHN C[C@H](N[C@@H]1CCCSCC1)c1cscn1 ZINC000658150869 411266931 /nfs/dbraw/zinc/26/69/31/411266931.db2.gz BUASPZASUCFCBT-VHSXEESVSA-N 0 3 242.413 3.079 20 0 BGADHN C[C@@H](N[C@H]1CCCSCC1)c1cscn1 ZINC000658150870 411266383 /nfs/dbraw/zinc/26/63/83/411266383.db2.gz BUASPZASUCFCBT-ZJUUUORDSA-N 0 3 242.413 3.079 20 0 BGADHN C[C@H](CC1CCC1)N[C@H](C)c1cscn1 ZINC000658151262 411266506 /nfs/dbraw/zinc/26/65/06/411266506.db2.gz FOBMDTAJNFSXFU-NXEZZACHSA-N 0 3 224.373 3.372 20 0 BGADHN C[C@@H](CC1CCC1)N[C@@H](C)c1cscn1 ZINC000658151263 411266315 /nfs/dbraw/zinc/26/63/15/411266315.db2.gz FOBMDTAJNFSXFU-UWVGGRQHSA-N 0 3 224.373 3.372 20 0 BGADHN C[C@@H](N[C@@H](C)CC1CCC1)c1cscn1 ZINC000658151264 411266491 /nfs/dbraw/zinc/26/64/91/411266491.db2.gz FOBMDTAJNFSXFU-VHSXEESVSA-N 0 3 224.373 3.372 20 0 BGADHN C[C@H](CC1CCC1)N[C@@H](C)c1cscn1 ZINC000658151266 411266459 /nfs/dbraw/zinc/26/64/59/411266459.db2.gz FOBMDTAJNFSXFU-ZJUUUORDSA-N 0 3 224.373 3.372 20 0 BGADHN CCO[C@H]1C[C@H](N[C@@H](C)c2csc(C)c2)C1 ZINC000658160596 411274409 /nfs/dbraw/zinc/27/44/09/411274409.db2.gz HKFIZTYKESASLU-DRZSPHRISA-N 0 3 239.384 3.275 20 0 BGADHN CCO[C@H]1C[C@H](N[C@H](C)c2csc(C)c2)C1 ZINC000658160600 411274248 /nfs/dbraw/zinc/27/42/48/411274248.db2.gz HKFIZTYKESASLU-RAIGVLPGSA-N 0 3 239.384 3.275 20 0 BGADHN CCO[C@H]1C[C@H](N[C@@H](C)c2ccc(CC)o2)C1 ZINC000658160631 411274287 /nfs/dbraw/zinc/27/42/87/411274287.db2.gz FVNXAWUVYPGSCF-GVXVVHGQSA-N 0 3 237.343 3.060 20 0 BGADHN CCO[C@H]1C[C@H](N[C@H](C)c2ccc(CC)o2)C1 ZINC000658160634 411273815 /nfs/dbraw/zinc/27/38/15/411273815.db2.gz FVNXAWUVYPGSCF-NQBHXWOUSA-N 0 3 237.343 3.060 20 0 BGADHN CCO[C@H]1C[C@H](N[C@@H](C)c2cc(C)c(C)o2)C1 ZINC000658161483 411275279 /nfs/dbraw/zinc/27/52/79/411275279.db2.gz LWWWFJJXDVANGG-DRZSPHRISA-N 0 3 237.343 3.115 20 0 BGADHN CCO[C@H]1C[C@H](N[C@H](C)c2cc(C)c(C)o2)C1 ZINC000658161484 411275051 /nfs/dbraw/zinc/27/50/51/411275051.db2.gz LWWWFJJXDVANGG-RAIGVLPGSA-N 0 3 237.343 3.115 20 0 BGADHN CCO[C@H]1C[C@H](N[C@@H](C)c2cc(C)oc2C)C1 ZINC000658163267 411276113 /nfs/dbraw/zinc/27/61/13/411276113.db2.gz NHZQYPNQBSLXTK-DRZSPHRISA-N 0 3 237.343 3.115 20 0 BGADHN CCO[C@H]1C[C@H](N[C@H](C)c2cc(C)oc2C)C1 ZINC000658163268 411276350 /nfs/dbraw/zinc/27/63/50/411276350.db2.gz NHZQYPNQBSLXTK-RAIGVLPGSA-N 0 3 237.343 3.115 20 0 BGADHN CCC[C@@H](N[C@H]1C[C@H](OCC)C1)c1ccccn1 ZINC000658163684 411276204 /nfs/dbraw/zinc/27/62/04/411276204.db2.gz SDNQFGAJLBUMQU-UMVBOHGHSA-N 0 3 248.370 3.080 20 0 BGADHN CCC[C@H](N[C@H]1C[C@H](OCC)C1)c1ccccn1 ZINC000658163685 411276194 /nfs/dbraw/zinc/27/61/94/411276194.db2.gz SDNQFGAJLBUMQU-YDHLFZDLSA-N 0 3 248.370 3.080 20 0 BGADHN Cc1n[nH]cc1[C@@H](C)NCc1cc(C)cc(C)c1 ZINC000658177213 411282818 /nfs/dbraw/zinc/28/28/18/411282818.db2.gz QVFNMOFBHPTTFI-GFCCVEGCSA-N 0 3 243.354 3.186 20 0 BGADHN Cc1n[nH]cc1[C@H](C)NCc1cc(C)cc(C)c1 ZINC000658177215 411282996 /nfs/dbraw/zinc/28/29/96/411282996.db2.gz QVFNMOFBHPTTFI-LBPRGKRZSA-N 0 3 243.354 3.186 20 0 BGADHN Cc1n[nH]cc1[C@@H](C)N[C@@H]1CCc2ccccc21 ZINC000658190115 411285958 /nfs/dbraw/zinc/28/59/58/411285958.db2.gz NGHMJDMQNOGOFQ-MEBBXXQBSA-N 0 3 241.338 3.056 20 0 BGADHN Cc1n[nH]cc1[C@H](C)N[C@@H]1CCc2ccccc21 ZINC000658190116 411286074 /nfs/dbraw/zinc/28/60/74/411286074.db2.gz NGHMJDMQNOGOFQ-ZUZCIYMTSA-N 0 3 241.338 3.056 20 0 BGADHN CC(C)(F)CCN[C@@H]1CCCc2occc21 ZINC000658191170 411287123 /nfs/dbraw/zinc/28/71/23/411287123.db2.gz LZQYBVCMONFVFZ-LLVKDONJSA-N 0 3 225.307 3.385 20 0 BGADHN CC(C)(F)CCN[C@H]1CCCc2occc21 ZINC000658191172 411286825 /nfs/dbraw/zinc/28/68/25/411286825.db2.gz LZQYBVCMONFVFZ-NSHDSACASA-N 0 3 225.307 3.385 20 0 BGADHN C[C@@H](NCCC(C)(C)F)c1cn2ccccc2n1 ZINC000658191207 411286885 /nfs/dbraw/zinc/28/68/85/411286885.db2.gz NEXBCOQSEDSWQY-LLVKDONJSA-N 0 3 249.333 3.123 20 0 BGADHN C[C@H](NCCC(C)(C)F)c1cn2ccccc2n1 ZINC000658191208 411286758 /nfs/dbraw/zinc/28/67/58/411286758.db2.gz NEXBCOQSEDSWQY-NSHDSACASA-N 0 3 249.333 3.123 20 0 BGADHN CCc1cccnc1[C@@H](C)NCCC(C)(C)F ZINC000658191291 411286617 /nfs/dbraw/zinc/28/66/17/411286617.db2.gz PDTMBRIDTIUMPW-LLVKDONJSA-N 0 3 238.350 3.433 20 0 BGADHN CCc1cccnc1[C@H](C)NCCC(C)(C)F ZINC000658191293 411286817 /nfs/dbraw/zinc/28/68/17/411286817.db2.gz PDTMBRIDTIUMPW-NSHDSACASA-N 0 3 238.350 3.433 20 0 BGADHN CC[C@@H](NCCC(C)(C)F)c1ccc(F)cn1 ZINC000658191617 411287502 /nfs/dbraw/zinc/28/75/02/411287502.db2.gz WGJPZTPMDKMRLH-LLVKDONJSA-N 0 3 242.313 3.400 20 0 BGADHN CC[C@H](NCCC(C)(C)F)c1ccc(F)cn1 ZINC000658191618 411287709 /nfs/dbraw/zinc/28/77/09/411287709.db2.gz WGJPZTPMDKMRLH-NSHDSACASA-N 0 3 242.313 3.400 20 0 BGADHN CC(C)(F)CCN[C@@H]1CCCc2cccnc21 ZINC000658191671 411287372 /nfs/dbraw/zinc/28/73/72/411287372.db2.gz YCEVBZUVANVHCK-GFCCVEGCSA-N 0 3 236.334 3.187 20 0 BGADHN CC(C)(F)CCN[C@H]1CCCc2cccnc21 ZINC000658191672 411287585 /nfs/dbraw/zinc/28/75/85/411287585.db2.gz YCEVBZUVANVHCK-LBPRGKRZSA-N 0 3 236.334 3.187 20 0 BGADHN COc1ccccc1[C@@H](C)NCCC(C)(C)F ZINC000658191922 411287469 /nfs/dbraw/zinc/28/74/69/411287469.db2.gz JKXJDFWNKWGKMD-LLVKDONJSA-N 0 3 239.334 3.484 20 0 BGADHN COc1ccccc1[C@H](C)NCCC(C)(C)F ZINC000658191923 411287873 /nfs/dbraw/zinc/28/78/73/411287873.db2.gz JKXJDFWNKWGKMD-NSHDSACASA-N 0 3 239.334 3.484 20 0 BGADHN CC(C)n1cc([C@@H](C)NCCC(C)(C)F)cn1 ZINC000658192384 411287457 /nfs/dbraw/zinc/28/74/57/411287457.db2.gz IPUJXGFEGQRBHY-LLVKDONJSA-N 0 3 241.354 3.253 20 0 BGADHN CC(C)n1cc([C@H](C)NCCC(C)(C)F)cn1 ZINC000658192385 411287322 /nfs/dbraw/zinc/28/73/22/411287322.db2.gz IPUJXGFEGQRBHY-NSHDSACASA-N 0 3 241.354 3.253 20 0 BGADHN C[C@@H](NCCC(C)(C)F)c1ccc(F)cn1 ZINC000658192591 411288188 /nfs/dbraw/zinc/28/81/88/411288188.db2.gz MUPMOMWVKPKTMM-SECBINFHSA-N 0 3 228.286 3.010 20 0 BGADHN C[C@H](NCCC(C)(C)F)c1ccc(F)cn1 ZINC000658192592 411288429 /nfs/dbraw/zinc/28/84/29/411288429.db2.gz MUPMOMWVKPKTMM-VIFPVBQESA-N 0 3 228.286 3.010 20 0 BGADHN Cc1ncc([C@@H](C)NCCC(C)(C)F)s1 ZINC000658193378 411288482 /nfs/dbraw/zinc/28/84/82/411288482.db2.gz UAJUMNGBJOFDCV-MRVPVSSYSA-N 0 3 230.352 3.240 20 0 BGADHN Cc1ncc([C@H](C)NCCC(C)(C)F)s1 ZINC000658193380 411288332 /nfs/dbraw/zinc/28/83/32/411288332.db2.gz UAJUMNGBJOFDCV-QMMMGPOBSA-N 0 3 230.352 3.240 20 0 BGADHN Cc1ccc([C@H](C)NCCC(C)(C)F)o1 ZINC000658193465 411288416 /nfs/dbraw/zinc/28/84/16/411288416.db2.gz VGEUHVWXUKTADN-JTQLQIEISA-N 0 3 213.296 3.377 20 0 BGADHN Cc1ccc([C@@H](C)NCCC(C)(C)F)o1 ZINC000658193466 411288235 /nfs/dbraw/zinc/28/82/35/411288235.db2.gz VGEUHVWXUKTADN-SNVBAGLBSA-N 0 3 213.296 3.377 20 0 BGADHN CCc1cccnc1[C@@H](C)NCCc1ccoc1 ZINC000658197940 411290197 /nfs/dbraw/zinc/29/01/97/411290197.db2.gz FCKBDLRPBDKRJB-GFCCVEGCSA-N 0 3 244.338 3.130 20 0 BGADHN CCc1cccnc1[C@H](C)NCCc1ccoc1 ZINC000658197941 411290123 /nfs/dbraw/zinc/29/01/23/411290123.db2.gz FCKBDLRPBDKRJB-LBPRGKRZSA-N 0 3 244.338 3.130 20 0 BGADHN Cc1ccc([C@@H](C)NCCc2ccoc2)o1 ZINC000658198083 411290210 /nfs/dbraw/zinc/29/02/10/411290210.db2.gz IQPOFGMXQFWGTM-LLVKDONJSA-N 0 3 219.284 3.074 20 0 BGADHN Cc1ccc([C@H](C)NCCc2ccoc2)o1 ZINC000658198084 411290439 /nfs/dbraw/zinc/29/04/39/411290439.db2.gz IQPOFGMXQFWGTM-NSHDSACASA-N 0 3 219.284 3.074 20 0 BGADHN Cc1cc([C@@H](C)NCCc2ccoc2)c(C)o1 ZINC000658198813 411290308 /nfs/dbraw/zinc/29/03/08/411290308.db2.gz ISSQOVYPPZPNFY-LLVKDONJSA-N 0 3 233.311 3.383 20 0 BGADHN Cc1cc([C@H](C)NCCc2ccoc2)c(C)o1 ZINC000658198814 411290491 /nfs/dbraw/zinc/29/04/91/411290491.db2.gz ISSQOVYPPZPNFY-NSHDSACASA-N 0 3 233.311 3.383 20 0 BGADHN CCC[C@H](NCCc1ccoc1)c1ccccn1 ZINC000658201936 411291563 /nfs/dbraw/zinc/29/15/63/411291563.db2.gz RXTBTZYRFPRWPL-AWEZNQCLSA-N 0 3 244.338 3.348 20 0 BGADHN CCC[C@@H](NCCc1ccoc1)c1ccccn1 ZINC000658201937 411291147 /nfs/dbraw/zinc/29/11/47/411291147.db2.gz RXTBTZYRFPRWPL-CQSZACIVSA-N 0 3 244.338 3.348 20 0 BGADHN CCc1ccc([C@@H](C)NCCc2ccoc2)o1 ZINC000658202949 411292339 /nfs/dbraw/zinc/29/23/39/411292339.db2.gz VYMHBOFZOMWVIC-LLVKDONJSA-N 0 3 233.311 3.328 20 0 BGADHN CCc1ccc([C@H](C)NCCc2ccoc2)o1 ZINC000658202950 411291848 /nfs/dbraw/zinc/29/18/48/411291848.db2.gz VYMHBOFZOMWVIC-NSHDSACASA-N 0 3 233.311 3.328 20 0 BGADHN CC[C@@H](NCCc1ccoc1)c1ccc(F)cn1 ZINC000658203277 411292139 /nfs/dbraw/zinc/29/21/39/411292139.db2.gz WJWPNBPUOPTZDS-CYBMUJFWSA-N 0 3 248.301 3.097 20 0 BGADHN CC[C@H](NCCc1ccoc1)c1ccc(F)cn1 ZINC000658203280 411292041 /nfs/dbraw/zinc/29/20/41/411292041.db2.gz WJWPNBPUOPTZDS-ZDUSSCGKSA-N 0 3 248.301 3.097 20 0 BGADHN COc1ccccc1[C@@H](C)NCCc1ccoc1 ZINC000658203533 411291944 /nfs/dbraw/zinc/29/19/44/411291944.db2.gz ZVFQEFHRCJUXDM-GFCCVEGCSA-N 0 3 245.322 3.182 20 0 BGADHN COc1ccccc1[C@H](C)NCCc1ccoc1 ZINC000658203534 411292201 /nfs/dbraw/zinc/29/22/01/411292201.db2.gz ZVFQEFHRCJUXDM-LBPRGKRZSA-N 0 3 245.322 3.182 20 0 BGADHN c1cc(CCN[C@@H]2CCCc3occc32)co1 ZINC000658203693 411292003 /nfs/dbraw/zinc/29/20/03/411292003.db2.gz YQHGZRZVQPDKLW-CYBMUJFWSA-N 0 3 231.295 3.082 20 0 BGADHN c1cc(CCN[C@H]2CCCc3occc32)co1 ZINC000658203694 411292194 /nfs/dbraw/zinc/29/21/94/411292194.db2.gz YQHGZRZVQPDKLW-ZDUSSCGKSA-N 0 3 231.295 3.082 20 0 BGADHN Cc1cc([C@@H](C)NCCc2ccoc2)oc1C ZINC000658203792 411291890 /nfs/dbraw/zinc/29/18/90/411291890.db2.gz ZYABVZQBHBGNCZ-LLVKDONJSA-N 0 3 233.311 3.383 20 0 BGADHN Cc1cc([C@H](C)NCCc2ccoc2)oc1C ZINC000658203794 411292282 /nfs/dbraw/zinc/29/22/82/411292282.db2.gz ZYABVZQBHBGNCZ-NSHDSACASA-N 0 3 233.311 3.383 20 0 BGADHN C[C@H](NC[C@@H]1CCC[C@H]2C[C@H]21)c1nccs1 ZINC000658205042 411292977 /nfs/dbraw/zinc/29/29/77/411292977.db2.gz DPUYAVXUSHCVKA-FIQHERPVSA-N 0 3 236.384 3.230 20 0 BGADHN C[C@H](NC[C@@H]1CCC[C@@H]2C[C@@H]21)c1nccs1 ZINC000658205043 411292727 /nfs/dbraw/zinc/29/27/27/411292727.db2.gz DPUYAVXUSHCVKA-USZNOCQGSA-N 0 3 236.384 3.230 20 0 BGADHN Cc1cc([C@H](C)NC[C@@H]2CCC[C@@H]3C[C@@H]32)no1 ZINC000658205517 411292923 /nfs/dbraw/zinc/29/29/23/411292923.db2.gz HUTQTHILNWGGIL-RNJOBUHISA-N 0 3 234.343 3.070 20 0 BGADHN Cc1cc([C@H](C)NC[C@@H]2CCC[C@H]3C[C@H]32)no1 ZINC000658205518 411292663 /nfs/dbraw/zinc/29/26/63/411292663.db2.gz HUTQTHILNWGGIL-ZDEQEGDKSA-N 0 3 234.343 3.070 20 0 BGADHN C[C@H](NC[C@@H]1CCC[C@H]2C[C@H]21)c1cscn1 ZINC000658206774 411293510 /nfs/dbraw/zinc/29/35/10/411293510.db2.gz QJCCQDUMWSMCPT-FIQHERPVSA-N 0 3 236.384 3.230 20 0 BGADHN C[C@H](NC[C@@H]1CCC[C@@H]2C[C@@H]21)c1cscn1 ZINC000658206775 411293612 /nfs/dbraw/zinc/29/36/12/411293612.db2.gz QJCCQDUMWSMCPT-USZNOCQGSA-N 0 3 236.384 3.230 20 0 BGADHN C[C@H](NC[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc(F)cn1 ZINC000658207293 411293403 /nfs/dbraw/zinc/29/34/03/411293403.db2.gz UNSBTSIGWMEMNA-OPDFLTKYSA-N 0 3 248.345 3.308 20 0 BGADHN C[C@H](NC[C@@H]1CCC[C@H]2C[C@H]21)c1ccc(F)cn1 ZINC000658207294 411293452 /nfs/dbraw/zinc/29/34/52/411293452.db2.gz UNSBTSIGWMEMNA-ZJQBRPOHSA-N 0 3 248.345 3.308 20 0 BGADHN CC[C@H](NC[C@H]1CCC[C@H](C)O1)c1ccncc1 ZINC000658214445 411295066 /nfs/dbraw/zinc/29/50/66/411295066.db2.gz ASCNZIZRTPNVND-CFVMTHIKSA-N 0 3 248.370 3.080 20 0 BGADHN CC[C@H](NC[C@@H]1CCC[C@H](C)O1)c1ccncc1 ZINC000658214447 411295042 /nfs/dbraw/zinc/29/50/42/411295042.db2.gz ASCNZIZRTPNVND-QEJZJMRPSA-N 0 3 248.370 3.080 20 0 BGADHN CC[C@H](NC[C@@H]1CCC[C@@H](C)O1)c1ccncc1 ZINC000658214450 411295466 /nfs/dbraw/zinc/29/54/66/411295466.db2.gz ASCNZIZRTPNVND-SNPRPXQTSA-N 0 3 248.370 3.080 20 0 BGADHN CC[C@H](NC[C@H]1CCC[C@@H](C)O1)c1ccncc1 ZINC000658214453 411295318 /nfs/dbraw/zinc/29/53/18/411295318.db2.gz ASCNZIZRTPNVND-YUELXQCFSA-N 0 3 248.370 3.080 20 0 BGADHN C[C@@H]1CCC[C@H](CN[C@H]2CCCc3occc32)O1 ZINC000658216638 411297093 /nfs/dbraw/zinc/29/70/93/411297093.db2.gz UDAPDITXQZYCAR-BZPMIXESSA-N 0 3 249.354 3.204 20 0 BGADHN C[C@@H]1CCC[C@@H](CN[C@H]2CCCc3occc32)O1 ZINC000658216639 411297029 /nfs/dbraw/zinc/29/70/29/411297029.db2.gz UDAPDITXQZYCAR-DYEKYZERSA-N 0 3 249.354 3.204 20 0 BGADHN C[C@@H]1CCC[C@@H](CN[C@@H]2CCCc3occc32)O1 ZINC000658216640 411296680 /nfs/dbraw/zinc/29/66/80/411296680.db2.gz UDAPDITXQZYCAR-MBNYWOFBSA-N 0 3 249.354 3.204 20 0 BGADHN C[C@@H]1CCC[C@H](CN[C@@H]2CCCc3occc32)O1 ZINC000658216641 411297281 /nfs/dbraw/zinc/29/72/81/411297281.db2.gz UDAPDITXQZYCAR-YRGRVCCFSA-N 0 3 249.354 3.204 20 0 BGADHN C[C@@H](NC[C@@H]1CCC[C@@H](C)O1)c1cccc(O)c1 ZINC000658216754 411296595 /nfs/dbraw/zinc/29/65/95/411296595.db2.gz BLFWDFBWGJWIKW-JMSVASOKSA-N 0 3 249.354 3.000 20 0 BGADHN C[C@@H](NC[C@H]1CCC[C@@H](C)O1)c1cccc(O)c1 ZINC000658216755 411297229 /nfs/dbraw/zinc/29/72/29/411297229.db2.gz BLFWDFBWGJWIKW-LALPHHSUSA-N 0 3 249.354 3.000 20 0 BGADHN C[C@H](NC[C@H]1CCC[C@@H](C)O1)c1cccc(O)c1 ZINC000658216756 411297007 /nfs/dbraw/zinc/29/70/07/411297007.db2.gz BLFWDFBWGJWIKW-TYNCELHUSA-N 0 3 249.354 3.000 20 0 BGADHN C[C@H](NC[C@@H]1CCC[C@@H](C)O1)c1cccc(O)c1 ZINC000658216757 411297178 /nfs/dbraw/zinc/29/71/78/411297178.db2.gz BLFWDFBWGJWIKW-XUJVJEKNSA-N 0 3 249.354 3.000 20 0 BGADHN Cc1ccncc1[C@H](C)NC[C@@]1(C)CC1(F)F ZINC000658218383 411297892 /nfs/dbraw/zinc/29/78/92/411297892.db2.gz JQRXGTXPYASPCG-CMPLNLGQSA-N 0 3 240.297 3.086 20 0 BGADHN Cc1ccncc1[C@H](C)NC[C@]1(C)CC1(F)F ZINC000658218384 411297691 /nfs/dbraw/zinc/29/76/91/411297691.db2.gz JQRXGTXPYASPCG-JQWIXIFHSA-N 0 3 240.297 3.086 20 0 BGADHN Cc1ccncc1[C@@H](C)NC[C@]1(C)CC1(F)F ZINC000658218515 411297515 /nfs/dbraw/zinc/29/75/15/411297515.db2.gz JQRXGTXPYASPCG-PWSUYJOCSA-N 0 3 240.297 3.086 20 0 BGADHN Cc1ccncc1[C@@H](C)NC[C@@]1(C)CC1(F)F ZINC000658218518 411297886 /nfs/dbraw/zinc/29/78/86/411297886.db2.gz JQRXGTXPYASPCG-ZYHUDNBSSA-N 0 3 240.297 3.086 20 0 BGADHN C[C@H](NC[C@@H]1CCC[C@@H](C)O1)c1ccsc1 ZINC000658218843 411298737 /nfs/dbraw/zinc/29/87/37/411298737.db2.gz KSHRNEAVGKTDOX-MDZLAQPJSA-N 0 3 239.384 3.356 20 0 BGADHN C[C@@H](NC[C@H]1CCC[C@@H](C)O1)c1ccsc1 ZINC000658218844 411298303 /nfs/dbraw/zinc/29/83/03/411298303.db2.gz KSHRNEAVGKTDOX-NQBHXWOUSA-N 0 3 239.384 3.356 20 0 BGADHN C[C@H](NC[C@H]1CCC[C@@H](C)O1)c1ccsc1 ZINC000658218845 411298581 /nfs/dbraw/zinc/29/85/81/411298581.db2.gz KSHRNEAVGKTDOX-NTZNESFSSA-N 0 3 239.384 3.356 20 0 BGADHN C[C@@H](NC[C@@H]1CCC[C@@H](C)O1)c1ccsc1 ZINC000658218846 411298693 /nfs/dbraw/zinc/29/86/93/411298693.db2.gz KSHRNEAVGKTDOX-WZRBSPASSA-N 0 3 239.384 3.356 20 0 BGADHN CCn1ccnc1[C@@H](C)NCCCC1CCC1 ZINC000658219231 411298510 /nfs/dbraw/zinc/29/85/10/411298510.db2.gz ARFIYOWJLJUMPN-GFCCVEGCSA-N 0 3 235.375 3.134 20 0 BGADHN CCn1ccnc1[C@H](C)NCCCC1CCC1 ZINC000658219232 411298419 /nfs/dbraw/zinc/29/84/19/411298419.db2.gz ARFIYOWJLJUMPN-LBPRGKRZSA-N 0 3 235.375 3.134 20 0 BGADHN C[C@@H](NCCCC1CCC1)c1ccccn1 ZINC000658219247 411298443 /nfs/dbraw/zinc/29/84/43/411298443.db2.gz AYFCCQZYLAYGCL-GFCCVEGCSA-N 0 3 218.344 3.313 20 0 BGADHN C[C@H](NCCCC1CCC1)c1ccccn1 ZINC000658219248 411298398 /nfs/dbraw/zinc/29/83/98/411298398.db2.gz AYFCCQZYLAYGCL-LBPRGKRZSA-N 0 3 218.344 3.313 20 0 BGADHN C[C@H]1C[C@H](NCCCC2CCC2)c2nccn21 ZINC000658219270 411298947 /nfs/dbraw/zinc/29/89/47/411298947.db2.gz BESQWFNMJNNTFA-AAEUAGOBSA-N 0 3 233.359 3.059 20 0 BGADHN C[C@@H]1C[C@@H](NCCCC2CCC2)c2nccn21 ZINC000658219272 411298918 /nfs/dbraw/zinc/29/89/18/411298918.db2.gz BESQWFNMJNNTFA-DGCLKSJQSA-N 0 3 233.359 3.059 20 0 BGADHN C[C@H]1C[C@@H](NCCCC2CCC2)c2nccn21 ZINC000658219274 411298601 /nfs/dbraw/zinc/29/86/01/411298601.db2.gz BESQWFNMJNNTFA-WCQYABFASA-N 0 3 233.359 3.059 20 0 BGADHN C[C@@H]1C[C@H](NCCCC2CCC2)c2nccn21 ZINC000658219276 411298898 /nfs/dbraw/zinc/29/88/98/411298898.db2.gz BESQWFNMJNNTFA-YPMHNXCESA-N 0 3 233.359 3.059 20 0 BGADHN C[C@@H](NCCCC1CCC1)c1ccc(F)cn1 ZINC000658219278 411298483 /nfs/dbraw/zinc/29/84/83/411298483.db2.gz BGRUPGHPPSJEJR-LLVKDONJSA-N 0 3 236.334 3.452 20 0 BGADHN C[C@H](NCCCC1CCC1)c1ccc(F)cn1 ZINC000658219280 411298688 /nfs/dbraw/zinc/29/86/88/411298688.db2.gz BGRUPGHPPSJEJR-NSHDSACASA-N 0 3 236.334 3.452 20 0 BGADHN Cc1ncc([C@@H](C)NC[C@@]2(C)CC2(F)F)s1 ZINC000658219349 411298681 /nfs/dbraw/zinc/29/86/81/411298681.db2.gz NQIBHUKFZBVQKN-GMSGAONNSA-N 0 3 246.326 3.147 20 0 BGADHN Cc1ncc([C@H](C)NC[C@@]2(C)CC2(F)F)s1 ZINC000658219350 411298816 /nfs/dbraw/zinc/29/88/16/411298816.db2.gz NQIBHUKFZBVQKN-OIBJUYFYSA-N 0 3 246.326 3.147 20 0 BGADHN Cc1ncc([C@@H](C)NC[C@]2(C)CC2(F)F)s1 ZINC000658219351 411298933 /nfs/dbraw/zinc/29/89/33/411298933.db2.gz NQIBHUKFZBVQKN-XCBNKYQSSA-N 0 3 246.326 3.147 20 0 BGADHN Cc1ncc([C@H](C)NC[C@]2(C)CC2(F)F)s1 ZINC000658219352 411298861 /nfs/dbraw/zinc/29/88/61/411298861.db2.gz NQIBHUKFZBVQKN-XVKPBYJWSA-N 0 3 246.326 3.147 20 0 BGADHN C[C@]1(CN[C@H]2CCCc3occc32)CC1(F)F ZINC000658219747 411299154 /nfs/dbraw/zinc/29/91/54/411299154.db2.gz OIEBQFWABFBHFH-CMPLNLGQSA-N 0 3 241.281 3.292 20 0 BGADHN C[C@@]1(CN[C@H]2CCCc3occc32)CC1(F)F ZINC000658219748 411299291 /nfs/dbraw/zinc/29/92/91/411299291.db2.gz OIEBQFWABFBHFH-JQWIXIFHSA-N 0 3 241.281 3.292 20 0 BGADHN C[C@@]1(CN[C@@H]2CCCc3occc32)CC1(F)F ZINC000658219749 411299615 /nfs/dbraw/zinc/29/96/15/411299615.db2.gz OIEBQFWABFBHFH-PWSUYJOCSA-N 0 3 241.281 3.292 20 0 BGADHN C[C@]1(CN[C@@H]2CCCc3occc32)CC1(F)F ZINC000658219750 411299468 /nfs/dbraw/zinc/29/94/68/411299468.db2.gz OIEBQFWABFBHFH-ZYHUDNBSSA-N 0 3 241.281 3.292 20 0 BGADHN C[C@@H](NC[C@@]1(C)CC1(F)F)c1cccc(O)c1 ZINC000658219763 411299564 /nfs/dbraw/zinc/29/95/64/411299564.db2.gz OKKSHLQZMIEGBV-BXKDBHETSA-N 0 3 241.281 3.088 20 0 BGADHN C[C@H](NC[C@]1(C)CC1(F)F)c1cccc(O)c1 ZINC000658219764 411299511 /nfs/dbraw/zinc/29/95/11/411299511.db2.gz OKKSHLQZMIEGBV-CABZTGNLSA-N 0 3 241.281 3.088 20 0 BGADHN C[C@H](NC[C@@]1(C)CC1(F)F)c1cccc(O)c1 ZINC000658219765 411299259 /nfs/dbraw/zinc/29/92/59/411299259.db2.gz OKKSHLQZMIEGBV-JOYOIKCWSA-N 0 3 241.281 3.088 20 0 BGADHN C[C@@H](NC[C@]1(C)CC1(F)F)c1cccc(O)c1 ZINC000658219766 411299576 /nfs/dbraw/zinc/29/95/76/411299576.db2.gz OKKSHLQZMIEGBV-SKDRFNHKSA-N 0 3 241.281 3.088 20 0 BGADHN Cc1ccc([C@H](C)NC[C@@H]2CCC[C@H](C)O2)o1 ZINC000658219832 411299708 /nfs/dbraw/zinc/29/97/08/411299708.db2.gz NNKLLWLWANIGOV-DRZSPHRISA-N 0 3 237.343 3.196 20 0 BGADHN Cc1ccc([C@H](C)NC[C@H]2CCC[C@@H](C)O2)o1 ZINC000658219834 411299486 /nfs/dbraw/zinc/29/94/86/411299486.db2.gz NNKLLWLWANIGOV-KGYLQXTDSA-N 0 3 237.343 3.196 20 0 BGADHN Cc1ccc([C@H](C)NC[C@H]2CCC[C@H](C)O2)o1 ZINC000658219835 411299263 /nfs/dbraw/zinc/29/92/63/411299263.db2.gz NNKLLWLWANIGOV-WCFLWFBJSA-N 0 3 237.343 3.196 20 0 BGADHN Cc1ccc([C@H](C)NC[C@@H]2CCC[C@@H](C)O2)o1 ZINC000658219837 411299697 /nfs/dbraw/zinc/29/96/97/411299697.db2.gz NNKLLWLWANIGOV-WXHSDQCUSA-N 0 3 237.343 3.196 20 0 BGADHN Cc1ccc([C@H](C)NC[C@@]2(C)CC2(F)F)o1 ZINC000658219917 411299215 /nfs/dbraw/zinc/29/92/15/411299215.db2.gz OFIKAHNWOVBGQX-GXSJLCMTSA-N 0 3 229.270 3.284 20 0 BGADHN Cc1ccc([C@@H](C)NC[C@]2(C)CC2(F)F)o1 ZINC000658219918 411299184 /nfs/dbraw/zinc/29/91/84/411299184.db2.gz OFIKAHNWOVBGQX-KOLCDFICSA-N 0 3 229.270 3.284 20 0 BGADHN Cc1ccc([C@@H](C)NC[C@@]2(C)CC2(F)F)o1 ZINC000658219923 411299313 /nfs/dbraw/zinc/29/93/13/411299313.db2.gz OFIKAHNWOVBGQX-MWLCHTKSSA-N 0 3 229.270 3.284 20 0 BGADHN Cc1ccc([C@H](C)NC[C@]2(C)CC2(F)F)o1 ZINC000658219924 411299209 /nfs/dbraw/zinc/29/92/09/411299209.db2.gz OFIKAHNWOVBGQX-ONGXEEELSA-N 0 3 229.270 3.284 20 0 BGADHN Cn1ccnc1[C@@H](NCCCC1CCC1)C1CC1 ZINC000658220081 411299506 /nfs/dbraw/zinc/29/95/06/411299506.db2.gz FYDYKRNMIQBVKS-AWEZNQCLSA-N 0 3 247.386 3.041 20 0 BGADHN Cn1ccnc1[C@H](NCCCC1CCC1)C1CC1 ZINC000658220082 411299480 /nfs/dbraw/zinc/29/94/80/411299480.db2.gz FYDYKRNMIQBVKS-CQSZACIVSA-N 0 3 247.386 3.041 20 0 BGADHN C[C@H](NCCCC1CCC1)c1cncs1 ZINC000658220412 411300078 /nfs/dbraw/zinc/30/00/78/411300078.db2.gz GNOJVCGKDHDQGY-JTQLQIEISA-N 0 3 224.373 3.374 20 0 BGADHN C[C@@H](NCCCC1CCC1)c1cncs1 ZINC000658220413 411300189 /nfs/dbraw/zinc/30/01/89/411300189.db2.gz GNOJVCGKDHDQGY-SNVBAGLBSA-N 0 3 224.373 3.374 20 0 BGADHN CC[C@@H](NCCCC1CCC1)c1ccn(C)n1 ZINC000658220428 411300234 /nfs/dbraw/zinc/30/02/34/411300234.db2.gz GYDLFIPHWOSQBU-CYBMUJFWSA-N 0 3 235.375 3.041 20 0 BGADHN CC[C@H](NCCCC1CCC1)c1ccn(C)n1 ZINC000658220429 411300616 /nfs/dbraw/zinc/30/06/16/411300616.db2.gz GYDLFIPHWOSQBU-ZDUSSCGKSA-N 0 3 235.375 3.041 20 0 BGADHN C[C@@H](NC[C@@]1(C)CC1(F)F)c1ccsc1 ZINC000658220495 411300469 /nfs/dbraw/zinc/30/04/69/411300469.db2.gz QFMVZLMIBYEVOZ-PSASIEDQSA-N 0 3 231.311 3.444 20 0 BGADHN C[C@@H](NC[C@]1(C)CC1(F)F)c1ccsc1 ZINC000658220496 411300602 /nfs/dbraw/zinc/30/06/02/411300602.db2.gz QFMVZLMIBYEVOZ-SCZZXKLOSA-N 0 3 231.311 3.444 20 0 BGADHN C[C@H](NC[C@@]1(C)CC1(F)F)c1ccsc1 ZINC000658220497 411300122 /nfs/dbraw/zinc/30/01/22/411300122.db2.gz QFMVZLMIBYEVOZ-WCBMZHEXSA-N 0 3 231.311 3.444 20 0 BGADHN C[C@H](NC[C@]1(C)CC1(F)F)c1ccsc1 ZINC000658220498 411300300 /nfs/dbraw/zinc/30/03/00/411300300.db2.gz QFMVZLMIBYEVOZ-WPRPVWTQSA-N 0 3 231.311 3.444 20 0 BGADHN C[C@@H](NCC[C@]1(C)CC1(F)F)c1cscn1 ZINC000658220757 411300085 /nfs/dbraw/zinc/30/00/85/411300085.db2.gz MNGOFZNBLBNZIQ-PSASIEDQSA-N 0 3 246.326 3.229 20 0 BGADHN C[C@@H](NCC[C@@]1(C)CC1(F)F)c1cscn1 ZINC000658220758 411300287 /nfs/dbraw/zinc/30/02/87/411300287.db2.gz MNGOFZNBLBNZIQ-SCZZXKLOSA-N 0 3 246.326 3.229 20 0 BGADHN C[C@H](NCC[C@]1(C)CC1(F)F)c1cscn1 ZINC000658220759 411300110 /nfs/dbraw/zinc/30/01/10/411300110.db2.gz MNGOFZNBLBNZIQ-WCBMZHEXSA-N 0 3 246.326 3.229 20 0 BGADHN C[C@H](NCC[C@@]1(C)CC1(F)F)c1cscn1 ZINC000658220760 411300632 /nfs/dbraw/zinc/30/06/32/411300632.db2.gz MNGOFZNBLBNZIQ-WPRPVWTQSA-N 0 3 246.326 3.229 20 0 BGADHN C[C@H](NCCCC1CCC1)c1nccs1 ZINC000658221760 411301206 /nfs/dbraw/zinc/30/12/06/411301206.db2.gz LPARWPUIOZMWNF-JTQLQIEISA-N 0 3 224.373 3.374 20 0 BGADHN C[C@@H](NCCCC1CCC1)c1nccs1 ZINC000658221762 411301276 /nfs/dbraw/zinc/30/12/76/411301276.db2.gz LPARWPUIOZMWNF-SNVBAGLBSA-N 0 3 224.373 3.374 20 0 BGADHN Cc1nccnc1[C@@H](C)NCCCC1CCC1 ZINC000658222469 411302055 /nfs/dbraw/zinc/30/20/55/411302055.db2.gz NVMLFRNPMLPJPB-LLVKDONJSA-N 0 3 233.359 3.016 20 0 BGADHN Cc1nccnc1[C@H](C)NCCCC1CCC1 ZINC000658222470 411302291 /nfs/dbraw/zinc/30/22/91/411302291.db2.gz NVMLFRNPMLPJPB-NSHDSACASA-N 0 3 233.359 3.016 20 0 BGADHN C[C@H](NCCCC1CCC1)c1cscn1 ZINC000658222527 411301776 /nfs/dbraw/zinc/30/17/76/411301776.db2.gz PAHZCBZMODQKCD-JTQLQIEISA-N 0 3 224.373 3.374 20 0 BGADHN C[C@@H](NCCCC1CCC1)c1cscn1 ZINC000658222529 411302147 /nfs/dbraw/zinc/30/21/47/411302147.db2.gz PAHZCBZMODQKCD-SNVBAGLBSA-N 0 3 224.373 3.374 20 0 BGADHN C[C@H](NCC[C@]1(C)CC1(F)F)c1ccccn1 ZINC000658222931 411302208 /nfs/dbraw/zinc/30/22/08/411302208.db2.gz SEMLESANGVPZLQ-CMPLNLGQSA-N 0 3 240.297 3.168 20 0 BGADHN C[C@H](NCC[C@@]1(C)CC1(F)F)c1ccccn1 ZINC000658222933 411302114 /nfs/dbraw/zinc/30/21/14/411302114.db2.gz SEMLESANGVPZLQ-JQWIXIFHSA-N 0 3 240.297 3.168 20 0 BGADHN C[C@@H](NCC[C@@]1(C)CC1(F)F)c1ccccn1 ZINC000658222935 411301911 /nfs/dbraw/zinc/30/19/11/411301911.db2.gz SEMLESANGVPZLQ-PWSUYJOCSA-N 0 3 240.297 3.168 20 0 BGADHN Cc1cncc([C@H](C)NC[C@@]2(C)CC2(F)F)c1 ZINC000658222983 411302381 /nfs/dbraw/zinc/30/23/81/411302381.db2.gz XKQKMGQJXDDZKG-CMPLNLGQSA-N 0 3 240.297 3.086 20 0 BGADHN Cc1cncc([C@H](C)NC[C@]2(C)CC2(F)F)c1 ZINC000658222984 411302039 /nfs/dbraw/zinc/30/20/39/411302039.db2.gz XKQKMGQJXDDZKG-JQWIXIFHSA-N 0 3 240.297 3.086 20 0 BGADHN Cc1cncc([C@@H](C)NC[C@]2(C)CC2(F)F)c1 ZINC000658222985 411301832 /nfs/dbraw/zinc/30/18/32/411301832.db2.gz XKQKMGQJXDDZKG-PWSUYJOCSA-N 0 3 240.297 3.086 20 0 BGADHN Cc1cncc([C@@H](C)NC[C@@]2(C)CC2(F)F)c1 ZINC000658222986 411302436 /nfs/dbraw/zinc/30/24/36/411302436.db2.gz XKQKMGQJXDDZKG-ZYHUDNBSSA-N 0 3 240.297 3.086 20 0 BGADHN C[C@@H](NCC[C@]1(C)CC1(F)F)c1ccccn1 ZINC000658223014 411301972 /nfs/dbraw/zinc/30/19/72/411301972.db2.gz SEMLESANGVPZLQ-ZYHUDNBSSA-N 0 3 240.297 3.168 20 0 BGADHN Cc1cc([C@H](C)NCC[C@]2(C)CC2(F)F)no1 ZINC000658223328 411302879 /nfs/dbraw/zinc/30/28/79/411302879.db2.gz TYVCJEJWVOBBAW-GXSJLCMTSA-N 0 3 244.285 3.069 20 0 BGADHN Cc1cc([C@@H](C)NCC[C@@]2(C)CC2(F)F)no1 ZINC000658223337 411302655 /nfs/dbraw/zinc/30/26/55/411302655.db2.gz TYVCJEJWVOBBAW-KOLCDFICSA-N 0 3 244.285 3.069 20 0 BGADHN Cc1cc([C@@H](C)NCC[C@]2(C)CC2(F)F)no1 ZINC000658223339 411303022 /nfs/dbraw/zinc/30/30/22/411303022.db2.gz TYVCJEJWVOBBAW-MWLCHTKSSA-N 0 3 244.285 3.069 20 0 BGADHN Cc1cc([C@H](C)NCC[C@@]2(C)CC2(F)F)no1 ZINC000658223340 411303047 /nfs/dbraw/zinc/30/30/47/411303047.db2.gz TYVCJEJWVOBBAW-ONGXEEELSA-N 0 3 244.285 3.069 20 0 BGADHN C[C@H](NCC[C@]1(C)CC1(F)F)c1ccco1 ZINC000658223928 411302796 /nfs/dbraw/zinc/30/27/96/411302796.db2.gz NBKXXRQSWFRNTO-GXSJLCMTSA-N 0 3 229.270 3.366 20 0 BGADHN C[C@@H](NCC[C@@]1(C)CC1(F)F)c1ccco1 ZINC000658223929 411302979 /nfs/dbraw/zinc/30/29/79/411302979.db2.gz NBKXXRQSWFRNTO-KOLCDFICSA-N 0 3 229.270 3.366 20 0 BGADHN C[C@@H](NCC[C@]1(C)CC1(F)F)c1ccco1 ZINC000658223930 411303006 /nfs/dbraw/zinc/30/30/06/411303006.db2.gz NBKXXRQSWFRNTO-MWLCHTKSSA-N 0 3 229.270 3.366 20 0 BGADHN C[C@H](NCC[C@@]1(C)CC1(F)F)c1ccco1 ZINC000658223931 411303084 /nfs/dbraw/zinc/30/30/84/411303084.db2.gz NBKXXRQSWFRNTO-ONGXEEELSA-N 0 3 229.270 3.366 20 0 BGADHN C[C@@H](NCCCC1CCC1)c1cc2n(n1)CCC2 ZINC000658224013 411302891 /nfs/dbraw/zinc/30/28/91/411302891.db2.gz RAXNBKQGQGNMKU-GFCCVEGCSA-N 0 3 247.386 3.060 20 0 BGADHN C[C@H](NCCCC1CCC1)c1cc2n(n1)CCC2 ZINC000658224014 411303153 /nfs/dbraw/zinc/30/31/53/411303153.db2.gz RAXNBKQGQGNMKU-LBPRGKRZSA-N 0 3 247.386 3.060 20 0 BGADHN C[C@@H](NCC[C@]1(C)CC1(F)F)c1nccs1 ZINC000658224880 411303735 /nfs/dbraw/zinc/30/37/35/411303735.db2.gz YTCFPQHURFXNCG-PSASIEDQSA-N 0 3 246.326 3.229 20 0 BGADHN C[C@@H](NCC[C@@]1(C)CC1(F)F)c1nccs1 ZINC000658224882 411303683 /nfs/dbraw/zinc/30/36/83/411303683.db2.gz YTCFPQHURFXNCG-SCZZXKLOSA-N 0 3 246.326 3.229 20 0 BGADHN C[C@H](NCC[C@]1(C)CC1(F)F)c1nccs1 ZINC000658224883 411303831 /nfs/dbraw/zinc/30/38/31/411303831.db2.gz YTCFPQHURFXNCG-WCBMZHEXSA-N 0 3 246.326 3.229 20 0 BGADHN C[C@H](NCC[C@@]1(C)CC1(F)F)c1nccs1 ZINC000658224885 411303694 /nfs/dbraw/zinc/30/36/94/411303694.db2.gz YTCFPQHURFXNCG-WPRPVWTQSA-N 0 3 246.326 3.229 20 0 BGADHN CC[C@@H](NCCCC1CCC1)c1nccn1C ZINC000658225570 411304492 /nfs/dbraw/zinc/30/44/92/411304492.db2.gz ZIUHAUNAKKSLJP-CYBMUJFWSA-N 0 3 235.375 3.041 20 0 BGADHN CC[C@H](NCCCC1CCC1)c1nccn1C ZINC000658225571 411304742 /nfs/dbraw/zinc/30/47/42/411304742.db2.gz ZIUHAUNAKKSLJP-ZDUSSCGKSA-N 0 3 235.375 3.041 20 0 BGADHN CC[C@@H](N[C@H](C)c1cc2n(n1)CCCC2)C1CC1 ZINC000658233289 411305352 /nfs/dbraw/zinc/30/53/52/411305352.db2.gz JTTGWFRNVUHVFL-BXUZGUMPSA-N 0 3 247.386 3.059 20 0 BGADHN CC[C@H](N[C@@H](C)c1cc2n(n1)CCCC2)C1CC1 ZINC000658233290 411305366 /nfs/dbraw/zinc/30/53/66/411305366.db2.gz JTTGWFRNVUHVFL-FZMZJTMJSA-N 0 3 247.386 3.059 20 0 BGADHN CC[C@H](N[C@H](C)c1cc2n(n1)CCCC2)C1CC1 ZINC000658233292 411305271 /nfs/dbraw/zinc/30/52/71/411305271.db2.gz JTTGWFRNVUHVFL-RISCZKNCSA-N 0 3 247.386 3.059 20 0 BGADHN CC[C@@H](N[C@@H](C)c1cc2n(n1)CCCC2)C1CC1 ZINC000658233294 411305410 /nfs/dbraw/zinc/30/54/10/411305410.db2.gz JTTGWFRNVUHVFL-SMDDNHRTSA-N 0 3 247.386 3.059 20 0 BGADHN CC[C@H](N[C@@H](C)c1cn2ccccc2n1)C1CC1 ZINC000658234620 411305420 /nfs/dbraw/zinc/30/54/20/411305420.db2.gz OMIPLXRQLZUMRA-AAEUAGOBSA-N 0 3 243.354 3.174 20 0 BGADHN CC[C@@H](N[C@H](C)c1cn2ccccc2n1)C1CC1 ZINC000658234622 411305228 /nfs/dbraw/zinc/30/52/28/411305228.db2.gz OMIPLXRQLZUMRA-DGCLKSJQSA-N 0 3 243.354 3.174 20 0 BGADHN CC[C@@H](N[C@@H](C)c1cn2ccccc2n1)C1CC1 ZINC000658234624 411305299 /nfs/dbraw/zinc/30/52/99/411305299.db2.gz OMIPLXRQLZUMRA-WCQYABFASA-N 0 3 243.354 3.174 20 0 BGADHN CC[C@H](N[C@H](C)c1cn2ccccc2n1)C1CC1 ZINC000658234626 411305210 /nfs/dbraw/zinc/30/52/10/411305210.db2.gz OMIPLXRQLZUMRA-YPMHNXCESA-N 0 3 243.354 3.174 20 0 BGADHN C[C@@H](NC[C@H]1C(C)(C)C1(F)F)c1cncs1 ZINC000658280934 411320766 /nfs/dbraw/zinc/32/07/66/411320766.db2.gz MPNFFARNARZWRB-APPZFPTMSA-N 0 3 246.326 3.085 20 0 BGADHN C[C@H](NC[C@H]1C(C)(C)C1(F)F)c1cncs1 ZINC000658280935 411320461 /nfs/dbraw/zinc/32/04/61/411320461.db2.gz MPNFFARNARZWRB-CBAPKCEASA-N 0 3 246.326 3.085 20 0 BGADHN C[C@H](NC[C@@H]1C(C)(C)C1(F)F)c1cncs1 ZINC000658280936 411320595 /nfs/dbraw/zinc/32/05/95/411320595.db2.gz MPNFFARNARZWRB-IONNQARKSA-N 0 3 246.326 3.085 20 0 BGADHN C[C@@H](NC[C@@H]1C(C)(C)C1(F)F)c1cncs1 ZINC000658280937 411320694 /nfs/dbraw/zinc/32/06/94/411320694.db2.gz MPNFFARNARZWRB-VXNVDRBHSA-N 0 3 246.326 3.085 20 0 BGADHN C[C@H](NC[C@@H]1C(C)(C)C1(F)F)c1ccccn1 ZINC000658281210 411320484 /nfs/dbraw/zinc/32/04/84/411320484.db2.gz OAOAAXLGABTTSR-GXSJLCMTSA-N 0 3 240.297 3.024 20 0 BGADHN C[C@@H](NC[C@H]1C(C)(C)C1(F)F)c1ccccn1 ZINC000658281211 411320423 /nfs/dbraw/zinc/32/04/23/411320423.db2.gz OAOAAXLGABTTSR-KOLCDFICSA-N 0 3 240.297 3.024 20 0 BGADHN C[C@@H](NC[C@@H]1C(C)(C)C1(F)F)c1ccccn1 ZINC000658281212 411320731 /nfs/dbraw/zinc/32/07/31/411320731.db2.gz OAOAAXLGABTTSR-MWLCHTKSSA-N 0 3 240.297 3.024 20 0 BGADHN C[C@H](NC[C@H]1C(C)(C)C1(F)F)c1ccccn1 ZINC000658281213 411320443 /nfs/dbraw/zinc/32/04/43/411320443.db2.gz OAOAAXLGABTTSR-ONGXEEELSA-N 0 3 240.297 3.024 20 0 BGADHN C[C@H](NC[C@@H]1C(C)(C)C1(F)F)c1cccnc1 ZINC000658281234 411320532 /nfs/dbraw/zinc/32/05/32/411320532.db2.gz OHCDHSBNZQCNSI-GXSJLCMTSA-N 0 3 240.297 3.024 20 0 BGADHN C[C@@H](NC[C@H]1C(C)(C)C1(F)F)c1cccnc1 ZINC000658281235 411320316 /nfs/dbraw/zinc/32/03/16/411320316.db2.gz OHCDHSBNZQCNSI-KOLCDFICSA-N 0 3 240.297 3.024 20 0 BGADHN C[C@@H](NC[C@@H]1C(C)(C)C1(F)F)c1cccnc1 ZINC000658281236 411320717 /nfs/dbraw/zinc/32/07/17/411320717.db2.gz OHCDHSBNZQCNSI-MWLCHTKSSA-N 0 3 240.297 3.024 20 0 BGADHN C[C@H](NC[C@H]1C(C)(C)C1(F)F)c1cccnc1 ZINC000658281237 411320517 /nfs/dbraw/zinc/32/05/17/411320517.db2.gz OHCDHSBNZQCNSI-ONGXEEELSA-N 0 3 240.297 3.024 20 0 BGADHN C[C@@H](NC[C@@H]1C(C)(C)C1(F)F)c1ccoc1 ZINC000658281932 411321055 /nfs/dbraw/zinc/32/10/55/411321055.db2.gz RLXFXOOWUKSZEQ-PSASIEDQSA-N 0 3 229.270 3.222 20 0 BGADHN C[C@@H](NC[C@H]1C(C)(C)C1(F)F)c1ccoc1 ZINC000658281933 411321774 /nfs/dbraw/zinc/32/17/74/411321774.db2.gz RLXFXOOWUKSZEQ-SCZZXKLOSA-N 0 3 229.270 3.222 20 0 BGADHN C[C@H](NC[C@@H]1C(C)(C)C1(F)F)c1ccoc1 ZINC000658281934 411321326 /nfs/dbraw/zinc/32/13/26/411321326.db2.gz RLXFXOOWUKSZEQ-WCBMZHEXSA-N 0 3 229.270 3.222 20 0 BGADHN C[C@H](NC[C@H]1C(C)(C)C1(F)F)c1ccoc1 ZINC000658281935 411321330 /nfs/dbraw/zinc/32/13/30/411321330.db2.gz RLXFXOOWUKSZEQ-WPRPVWTQSA-N 0 3 229.270 3.222 20 0 BGADHN C[C@H](NC[C@@H]1C(C)(C)C1(F)F)c1ccncc1 ZINC000658282275 411321422 /nfs/dbraw/zinc/32/14/22/411321422.db2.gz SRAVUCZGNYXZTA-GXSJLCMTSA-N 0 3 240.297 3.024 20 0 BGADHN C[C@@H](NC[C@H]1C(C)(C)C1(F)F)c1ccncc1 ZINC000658282277 411321797 /nfs/dbraw/zinc/32/17/97/411321797.db2.gz SRAVUCZGNYXZTA-KOLCDFICSA-N 0 3 240.297 3.024 20 0 BGADHN C[C@@H](NC[C@@H]1C(C)(C)C1(F)F)c1ccncc1 ZINC000658282279 411321154 /nfs/dbraw/zinc/32/11/54/411321154.db2.gz SRAVUCZGNYXZTA-MWLCHTKSSA-N 0 3 240.297 3.024 20 0 BGADHN C[C@H](NC[C@H]1C(C)(C)C1(F)F)c1ccncc1 ZINC000658282281 411321232 /nfs/dbraw/zinc/32/12/32/411321232.db2.gz SRAVUCZGNYXZTA-ONGXEEELSA-N 0 3 240.297 3.024 20 0 BGADHN C[C@@H](NC[C@@H]1C(C)(C)C1(F)F)c1ccco1 ZINC000658282903 411321561 /nfs/dbraw/zinc/32/15/61/411321561.db2.gz IPVIYBLPLGXXMH-PSASIEDQSA-N 0 3 229.270 3.222 20 0 BGADHN C[C@@H](NC[C@H]1C(C)(C)C1(F)F)c1ccco1 ZINC000658282906 411321806 /nfs/dbraw/zinc/32/18/06/411321806.db2.gz IPVIYBLPLGXXMH-SCZZXKLOSA-N 0 3 229.270 3.222 20 0 BGADHN C[C@H](NC[C@@H]1C(C)(C)C1(F)F)c1ccco1 ZINC000658282908 411321297 /nfs/dbraw/zinc/32/12/97/411321297.db2.gz IPVIYBLPLGXXMH-WCBMZHEXSA-N 0 3 229.270 3.222 20 0 BGADHN C[C@H](NC[C@H]1C(C)(C)C1(F)F)c1ccco1 ZINC000658282911 411321648 /nfs/dbraw/zinc/32/16/48/411321648.db2.gz IPVIYBLPLGXXMH-WPRPVWTQSA-N 0 3 229.270 3.222 20 0 BGADHN c1cc2c(o1)CCC[C@H]2NCC1=CCCC1 ZINC000658290491 487578642 /nfs/dbraw/zinc/57/86/42/487578642.db2.gz AYAGOVKVNPORKB-CYBMUJFWSA-N 0 3 217.312 3.357 20 0 BGADHN c1cc2c(o1)CCC[C@@H]2NCC1=CCCC1 ZINC000658290493 487578483 /nfs/dbraw/zinc/57/84/83/487578483.db2.gz AYAGOVKVNPORKB-ZDUSSCGKSA-N 0 3 217.312 3.357 20 0 BGADHN Fc1cncc([C@@H](NCC2=CCCC2)C2CC2)c1 ZINC000658290544 487578850 /nfs/dbraw/zinc/57/88/50/487578850.db2.gz BTRQWMHHMRTBOL-HNNXBMFYSA-N 0 3 246.329 3.372 20 0 BGADHN Fc1cncc([C@H](NCC2=CCCC2)C2CC2)c1 ZINC000658290546 487578813 /nfs/dbraw/zinc/57/88/13/487578813.db2.gz BTRQWMHHMRTBOL-OAHLLOKOSA-N 0 3 246.329 3.372 20 0 BGADHN C1=C(CN[C@H]2CCCc3cccnc32)CCC1 ZINC000658290877 411324936 /nfs/dbraw/zinc/32/49/36/411324936.db2.gz HGBHWZTXQQNYIH-AWEZNQCLSA-N 0 3 228.339 3.159 20 0 BGADHN C1=C(CN[C@@H]2CCCc3cccnc32)CCC1 ZINC000658290879 411325093 /nfs/dbraw/zinc/32/50/93/411325093.db2.gz HGBHWZTXQQNYIH-CQSZACIVSA-N 0 3 228.339 3.159 20 0 BGADHN CC[C@H](NCC1=CCCC1)c1ccncc1 ZINC000658291134 411324224 /nfs/dbraw/zinc/32/42/24/411324224.db2.gz LQXDAXSZZQVTHS-AWEZNQCLSA-N 0 3 216.328 3.233 20 0 BGADHN CC[C@@H](NCC1=CCCC1)c1ccncc1 ZINC000658291135 411324468 /nfs/dbraw/zinc/32/44/68/411324468.db2.gz LQXDAXSZZQVTHS-CQSZACIVSA-N 0 3 216.328 3.233 20 0 BGADHN CC[C@@H](NCC1=CCCC1)c1ccc(F)cn1 ZINC000658291160 411324546 /nfs/dbraw/zinc/32/45/46/411324546.db2.gz LTSCCJWWCNCZCQ-CYBMUJFWSA-N 0 3 234.318 3.372 20 0 BGADHN CC[C@H](NCC1=CCCC1)c1ccc(F)cn1 ZINC000658291161 411325042 /nfs/dbraw/zinc/32/50/42/411325042.db2.gz LTSCCJWWCNCZCQ-ZDUSSCGKSA-N 0 3 234.318 3.372 20 0 BGADHN Oc1ccc2c(c1)[C@@H](NCC1=CCCC1)CCC2 ZINC000658291398 411325126 /nfs/dbraw/zinc/32/51/26/411325126.db2.gz OJBSRLQJLURNQK-INIZCTEOSA-N 0 3 243.350 3.470 20 0 BGADHN Oc1ccc2c(c1)[C@H](NCC1=CCCC1)CCC2 ZINC000658291400 411325012 /nfs/dbraw/zinc/32/50/12/411325012.db2.gz OJBSRLQJLURNQK-MRXNPFEDSA-N 0 3 243.350 3.470 20 0 BGADHN Cc1cncc([C@@H](C)NCC2=CCCC2)c1 ZINC000658291405 411324609 /nfs/dbraw/zinc/32/46/09/411324609.db2.gz ONLKJQINVPJWJY-GFCCVEGCSA-N 0 3 216.328 3.151 20 0 BGADHN Cc1cncc([C@H](C)NCC2=CCCC2)c1 ZINC000658291406 411324306 /nfs/dbraw/zinc/32/43/06/411324306.db2.gz ONLKJQINVPJWJY-LBPRGKRZSA-N 0 3 216.328 3.151 20 0 BGADHN CC(C)[C@H](NCC1=CCCC1)c1cccnc1 ZINC000658291419 411324871 /nfs/dbraw/zinc/32/48/71/411324871.db2.gz ORAHHPMBDDYKLC-HNNXBMFYSA-N 0 3 230.355 3.479 20 0 BGADHN CC(C)[C@@H](NCC1=CCCC1)c1cccnc1 ZINC000658291421 411324299 /nfs/dbraw/zinc/32/42/99/411324299.db2.gz ORAHHPMBDDYKLC-OAHLLOKOSA-N 0 3 230.355 3.479 20 0 BGADHN Cc1ccc([C@@H](C)NCC2=CCCC2)c(C)n1 ZINC000658291425 411324789 /nfs/dbraw/zinc/32/47/89/411324789.db2.gz OVBJLZCVTOSRTA-GFCCVEGCSA-N 0 3 230.355 3.459 20 0 BGADHN Cc1ccc([C@H](C)NCC2=CCCC2)c(C)n1 ZINC000658291427 411324769 /nfs/dbraw/zinc/32/47/69/411324769.db2.gz OVBJLZCVTOSRTA-LBPRGKRZSA-N 0 3 230.355 3.459 20 0 BGADHN CCc1cccnc1[C@@H](C)NCC1=CCCC1 ZINC000658291510 411325130 /nfs/dbraw/zinc/32/51/30/411325130.db2.gz RUGWRUIQPIFEGK-GFCCVEGCSA-N 0 3 230.355 3.405 20 0 BGADHN CCc1cccnc1[C@H](C)NCC1=CCCC1 ZINC000658291511 411324591 /nfs/dbraw/zinc/32/45/91/411324591.db2.gz RUGWRUIQPIFEGK-LBPRGKRZSA-N 0 3 230.355 3.405 20 0 BGADHN Cc1ncc([C@@H](C)NCC2=CCCC2)s1 ZINC000658291819 411324953 /nfs/dbraw/zinc/32/49/53/411324953.db2.gz VBMVYWNEXAOQME-SECBINFHSA-N 0 3 222.357 3.212 20 0 BGADHN Cc1ncc([C@H](C)NCC2=CCCC2)s1 ZINC000658291823 411324688 /nfs/dbraw/zinc/32/46/88/411324688.db2.gz VBMVYWNEXAOQME-VIFPVBQESA-N 0 3 222.357 3.212 20 0 BGADHN COc1ccc([C@@H](C)NCC2=CCCC2)cc1O ZINC000658291841 411325037 /nfs/dbraw/zinc/32/50/37/411325037.db2.gz VLEPDWASXWEYGE-LLVKDONJSA-N 0 3 247.338 3.162 20 0 BGADHN COc1ccc([C@H](C)NCC2=CCCC2)cc1O ZINC000658291843 411324453 /nfs/dbraw/zinc/32/44/53/411324453.db2.gz VLEPDWASXWEYGE-NSHDSACASA-N 0 3 247.338 3.162 20 0 BGADHN C[C@H](NCC1=CCCC1)c1ccc(Cl)cn1 ZINC000658291888 411324565 /nfs/dbraw/zinc/32/45/65/411324565.db2.gz WIAUHYJISFCSHV-JTQLQIEISA-N 0 3 236.746 3.496 20 0 BGADHN C[C@@H](NCC1=CCCC1)c1ccc(Cl)cn1 ZINC000658291890 411324775 /nfs/dbraw/zinc/32/47/75/411324775.db2.gz WIAUHYJISFCSHV-SNVBAGLBSA-N 0 3 236.746 3.496 20 0 BGADHN C[C@H](NCC1=CCCC1)c1ccncc1Cl ZINC000658292057 411324265 /nfs/dbraw/zinc/32/42/65/411324265.db2.gz YETPKXXROVDIDO-JTQLQIEISA-N 0 3 236.746 3.496 20 0 BGADHN C[C@@H](NCC1=CCCC1)c1ccncc1Cl ZINC000658292059 411324413 /nfs/dbraw/zinc/32/44/13/411324413.db2.gz YETPKXXROVDIDO-SNVBAGLBSA-N 0 3 236.746 3.496 20 0 BGADHN COc1ccc2c(c1)[C@@H](NCC1=CCCC1)CC2 ZINC000658292857 411325573 /nfs/dbraw/zinc/32/55/73/411325573.db2.gz NNRSZPYMRDAYGX-INIZCTEOSA-N 0 3 243.350 3.382 20 0 BGADHN COc1ccc2c(c1)[C@H](NCC1=CCCC1)CC2 ZINC000658292860 411325631 /nfs/dbraw/zinc/32/56/31/411325631.db2.gz NNRSZPYMRDAYGX-MRXNPFEDSA-N 0 3 243.350 3.382 20 0 BGADHN COc1cccc2c1CC[C@@H]2NCC1=CCCC1 ZINC000658292868 411325732 /nfs/dbraw/zinc/32/57/32/411325732.db2.gz NYABJWPZQVQXKO-HNNXBMFYSA-N 0 3 243.350 3.382 20 0 BGADHN COc1cccc2c1CC[C@H]2NCC1=CCCC1 ZINC000658292870 411326183 /nfs/dbraw/zinc/32/61/83/411326183.db2.gz NYABJWPZQVQXKO-OAHLLOKOSA-N 0 3 243.350 3.382 20 0 BGADHN C[C@@H](NCC1=CCCC1)c1ccc2c(c1)COC2 ZINC000658292909 411326198 /nfs/dbraw/zinc/32/61/98/411326198.db2.gz OYJUPVONLCRUTQ-GFCCVEGCSA-N 0 3 243.350 3.478 20 0 BGADHN C[C@H](NCC1=CCCC1)c1ccc2c(c1)COC2 ZINC000658292911 411325591 /nfs/dbraw/zinc/32/55/91/411325591.db2.gz OYJUPVONLCRUTQ-LBPRGKRZSA-N 0 3 243.350 3.478 20 0 BGADHN C[C@@H](NC1CC2(C1)CCCCC2)c1nccn1C ZINC000658292979 411325555 /nfs/dbraw/zinc/32/55/55/411325555.db2.gz UAZRCZKBRKYHLD-GFCCVEGCSA-N 0 3 247.386 3.184 20 0 BGADHN C[C@H](NC1CC2(C1)CCCCC2)c1nccn1C ZINC000658292980 411326103 /nfs/dbraw/zinc/32/61/03/411326103.db2.gz UAZRCZKBRKYHLD-LBPRGKRZSA-N 0 3 247.386 3.184 20 0 BGADHN COc1ccc([C@@H](C)N[C@@]2(C)CC2(C)C)cc1O ZINC000658300261 411326971 /nfs/dbraw/zinc/32/69/71/411326971.db2.gz CPGDXYXBQOCHQW-BMIGLBTASA-N 0 3 249.354 3.240 20 0 BGADHN COc1ccc([C@H](C)N[C@@]2(C)CC2(C)C)cc1O ZINC000658300262 411326994 /nfs/dbraw/zinc/32/69/94/411326994.db2.gz CPGDXYXBQOCHQW-BONVTDFDSA-N 0 3 249.354 3.240 20 0 BGADHN COc1ccc([C@@H](C)N[C@]2(C)CC2(C)C)cc1O ZINC000658300263 411326822 /nfs/dbraw/zinc/32/68/22/411326822.db2.gz CPGDXYXBQOCHQW-MEBBXXQBSA-N 0 3 249.354 3.240 20 0 BGADHN COc1ccc([C@H](C)N[C@]2(C)CC2(C)C)cc1O ZINC000658300264 411327131 /nfs/dbraw/zinc/32/71/31/411327131.db2.gz CPGDXYXBQOCHQW-ZUZCIYMTSA-N 0 3 249.354 3.240 20 0 BGADHN C[C@@H](N[C@@]1(C)CC1(C)C)c1cn2ccccc2n1 ZINC000658301641 411326779 /nfs/dbraw/zinc/32/67/79/411326779.db2.gz IRFQGLNXLYTGLV-ABAIWWIYSA-N 0 3 243.354 3.174 20 0 BGADHN C[C@@H](N[C@]1(C)CC1(C)C)c1cn2ccccc2n1 ZINC000658301642 411326350 /nfs/dbraw/zinc/32/63/50/411326350.db2.gz IRFQGLNXLYTGLV-IAQYHMDHSA-N 0 3 243.354 3.174 20 0 BGADHN C[C@H](N[C@@]1(C)CC1(C)C)c1cn2ccccc2n1 ZINC000658301643 411326550 /nfs/dbraw/zinc/32/65/50/411326550.db2.gz IRFQGLNXLYTGLV-NHYWBVRUSA-N 0 3 243.354 3.174 20 0 BGADHN C[C@H](N[C@]1(C)CC1(C)C)c1cn2ccccc2n1 ZINC000658301644 411327013 /nfs/dbraw/zinc/32/70/13/411327013.db2.gz IRFQGLNXLYTGLV-XHDPSFHLSA-N 0 3 243.354 3.174 20 0 BGADHN Cc1cncc([C@@H](C)N[C@]2(C)CC2(C)C)c1 ZINC000658304341 411328442 /nfs/dbraw/zinc/32/84/42/411328442.db2.gz OJRJTJYRFWALPP-BXUZGUMPSA-N 0 3 218.344 3.229 20 0 BGADHN Cc1cncc([C@H](C)N[C@@]2(C)CC2(C)C)c1 ZINC000658304342 411328484 /nfs/dbraw/zinc/32/84/84/411328484.db2.gz OJRJTJYRFWALPP-FZMZJTMJSA-N 0 3 218.344 3.229 20 0 BGADHN Cc1cncc([C@@H](C)N[C@@]2(C)CC2(C)C)c1 ZINC000658304343 411328409 /nfs/dbraw/zinc/32/84/09/411328409.db2.gz OJRJTJYRFWALPP-RISCZKNCSA-N 0 3 218.344 3.229 20 0 BGADHN Cc1cncc([C@H](C)N[C@]2(C)CC2(C)C)c1 ZINC000658304344 411328498 /nfs/dbraw/zinc/32/84/98/411328498.db2.gz OJRJTJYRFWALPP-SMDDNHRTSA-N 0 3 218.344 3.229 20 0 BGADHN CC1(C)C[C@]1(C)N[C@@H]1CCCc2cccnc21 ZINC000658304504 411328462 /nfs/dbraw/zinc/32/84/62/411328462.db2.gz PPNRHFYURMZSIC-DOMZBBRYSA-N 0 3 230.355 3.237 20 0 BGADHN CC1(C)C[C@@]1(C)N[C@@H]1CCCc2cccnc21 ZINC000658304514 411328502 /nfs/dbraw/zinc/32/85/02/411328502.db2.gz PPNRHFYURMZSIC-IUODEOHRSA-N 0 3 230.355 3.237 20 0 BGADHN CC1(C)C[C@@]1(C)N[C@H]1CCCc2cccnc21 ZINC000658304522 411328360 /nfs/dbraw/zinc/32/83/60/411328360.db2.gz PPNRHFYURMZSIC-SWLSCSKDSA-N 0 3 230.355 3.237 20 0 BGADHN CC1(C)C[C@]1(C)N[C@H]1CCCc2cccnc21 ZINC000658304528 411328431 /nfs/dbraw/zinc/32/84/31/411328431.db2.gz PPNRHFYURMZSIC-WFASDCNBSA-N 0 3 230.355 3.237 20 0 BGADHN Cc1cc([C@H](C)N[C@@H](C(C)C)C2CC2)no1 ZINC000658304774 411328466 /nfs/dbraw/zinc/32/84/66/411328466.db2.gz WNZYVQUHZMTONT-GWCFXTLKSA-N 0 3 222.332 3.068 20 0 BGADHN Cc1cc([C@H](C)N[C@H](C(C)C)C2CC2)no1 ZINC000658304776 411328380 /nfs/dbraw/zinc/32/83/80/411328380.db2.gz WNZYVQUHZMTONT-GXFFZTMASA-N 0 3 222.332 3.068 20 0 BGADHN Cc1cc([C@@H](C)N[C@@H](C(C)C)C2CC2)no1 ZINC000658304777 411328416 /nfs/dbraw/zinc/32/84/16/411328416.db2.gz WNZYVQUHZMTONT-MFKMUULPSA-N 0 3 222.332 3.068 20 0 BGADHN Cc1cc([C@@H](C)N[C@H](C(C)C)C2CC2)no1 ZINC000658304779 411328384 /nfs/dbraw/zinc/32/83/84/411328384.db2.gz WNZYVQUHZMTONT-ZWNOBZJWSA-N 0 3 222.332 3.068 20 0 BGADHN CCc1cccnc1[C@@H](C)N[C@@]1(C)CC1(C)C ZINC000658304806 411328454 /nfs/dbraw/zinc/32/84/54/411328454.db2.gz PWVLCAQXVINMBQ-ABAIWWIYSA-N 0 3 232.371 3.483 20 0 BGADHN CCc1cccnc1[C@@H](C)N[C@]1(C)CC1(C)C ZINC000658304808 411328570 /nfs/dbraw/zinc/32/85/70/411328570.db2.gz PWVLCAQXVINMBQ-IAQYHMDHSA-N 0 3 232.371 3.483 20 0 BGADHN CCc1cccnc1[C@H](C)N[C@@]1(C)CC1(C)C ZINC000658304810 411328422 /nfs/dbraw/zinc/32/84/22/411328422.db2.gz PWVLCAQXVINMBQ-NHYWBVRUSA-N 0 3 232.371 3.483 20 0 BGADHN CCc1cccnc1[C@H](C)N[C@]1(C)CC1(C)C ZINC000658304812 411328559 /nfs/dbraw/zinc/32/85/59/411328559.db2.gz PWVLCAQXVINMBQ-XHDPSFHLSA-N 0 3 232.371 3.483 20 0 BGADHN CC1(C)C[C@@]1(C)N[C@@H]1CCCc2occc21 ZINC000658305786 411328872 /nfs/dbraw/zinc/32/88/72/411328872.db2.gz UREMIBMOKLIUQL-BXUZGUMPSA-N 0 3 219.328 3.435 20 0 BGADHN CC1(C)C[C@]1(C)N[C@H]1CCCc2occc21 ZINC000658305789 411328920 /nfs/dbraw/zinc/32/89/20/411328920.db2.gz UREMIBMOKLIUQL-FZMZJTMJSA-N 0 3 219.328 3.435 20 0 BGADHN CC1(C)C[C@]1(C)N[C@@H]1CCCc2occc21 ZINC000658305792 411328929 /nfs/dbraw/zinc/32/89/29/411328929.db2.gz UREMIBMOKLIUQL-RISCZKNCSA-N 0 3 219.328 3.435 20 0 BGADHN CC1(C)C[C@@]1(C)N[C@H]1CCCc2occc21 ZINC000658305793 411329059 /nfs/dbraw/zinc/32/90/59/411329059.db2.gz UREMIBMOKLIUQL-SMDDNHRTSA-N 0 3 219.328 3.435 20 0 BGADHN C[C@@H](N[C@@]1(C)CC1(C)C)c1cc2n(n1)CCCC2 ZINC000658306283 411329700 /nfs/dbraw/zinc/32/97/00/411329700.db2.gz WWIJTJHRNWXLNN-ABAIWWIYSA-N 0 3 247.386 3.059 20 0 BGADHN C[C@@H](N[C@]1(C)CC1(C)C)c1cc2n(n1)CCCC2 ZINC000658306286 411329633 /nfs/dbraw/zinc/32/96/33/411329633.db2.gz WWIJTJHRNWXLNN-IAQYHMDHSA-N 0 3 247.386 3.059 20 0 BGADHN C[C@H](N[C@@]1(C)CC1(C)C)c1cc2n(n1)CCCC2 ZINC000658306287 411329719 /nfs/dbraw/zinc/32/97/19/411329719.db2.gz WWIJTJHRNWXLNN-NHYWBVRUSA-N 0 3 247.386 3.059 20 0 BGADHN C[C@H](N[C@]1(C)CC1(C)C)c1cc2n(n1)CCCC2 ZINC000658306290 411329586 /nfs/dbraw/zinc/32/95/86/411329586.db2.gz WWIJTJHRNWXLNN-XHDPSFHLSA-N 0 3 247.386 3.059 20 0 BGADHN C[C@H](N[C@@]1(C)CC1(C)C)c1cccc(O)c1 ZINC000658306596 411329678 /nfs/dbraw/zinc/32/96/78/411329678.db2.gz FHMFXCFZEJYYTO-HZMBPMFUSA-N 0 3 219.328 3.231 20 0 BGADHN C[C@H](N[C@]1(C)CC1(C)C)c1cccc(O)c1 ZINC000658306597 411329549 /nfs/dbraw/zinc/32/95/49/411329549.db2.gz FHMFXCFZEJYYTO-IINYFYTJSA-N 0 3 219.328 3.231 20 0 BGADHN C[C@@H](N[C@]1(C)CC1(C)C)c1cccc(O)c1 ZINC000658306598 411329630 /nfs/dbraw/zinc/32/96/30/411329630.db2.gz FHMFXCFZEJYYTO-QMTHXVAHSA-N 0 3 219.328 3.231 20 0 BGADHN C[C@@H](N[C@@]1(C)CC1(C)C)c1cccc(O)c1 ZINC000658306599 411329542 /nfs/dbraw/zinc/32/95/42/411329542.db2.gz FHMFXCFZEJYYTO-YGRLFVJLSA-N 0 3 219.328 3.231 20 0 BGADHN Cc1ccc([C@H](C)N[C@@]2(C)CC2(C)C)o1 ZINC000658306937 411329507 /nfs/dbraw/zinc/32/95/07/411329507.db2.gz GTUVSXTVCZMVBC-GWCFXTLKSA-N 0 3 207.317 3.427 20 0 BGADHN Cc1ccc([C@H](C)N[C@]2(C)CC2(C)C)o1 ZINC000658306939 411329515 /nfs/dbraw/zinc/32/95/15/411329515.db2.gz GTUVSXTVCZMVBC-GXFFZTMASA-N 0 3 207.317 3.427 20 0 BGADHN Cc1ccc([C@@H](C)N[C@@]2(C)CC2(C)C)o1 ZINC000658306940 411329745 /nfs/dbraw/zinc/32/97/45/411329745.db2.gz GTUVSXTVCZMVBC-MFKMUULPSA-N 0 3 207.317 3.427 20 0 BGADHN Cc1ccc([C@@H](C)N[C@]2(C)CC2(C)C)o1 ZINC000658306941 411329661 /nfs/dbraw/zinc/32/96/61/411329661.db2.gz GTUVSXTVCZMVBC-ZWNOBZJWSA-N 0 3 207.317 3.427 20 0 BGADHN CC(C)n1cc([C@@H](C)N[C@]2(C)CC2(C)C)cn1 ZINC000658307532 411330163 /nfs/dbraw/zinc/33/01/63/411330163.db2.gz KTDISABBYZNEQE-BXUZGUMPSA-N 0 3 235.375 3.303 20 0 BGADHN CC(C)n1cc([C@H](C)N[C@@]2(C)CC2(C)C)cn1 ZINC000658307533 411330296 /nfs/dbraw/zinc/33/02/96/411330296.db2.gz KTDISABBYZNEQE-FZMZJTMJSA-N 0 3 235.375 3.303 20 0 BGADHN CC(C)n1cc([C@@H](C)N[C@@]2(C)CC2(C)C)cn1 ZINC000658307534 411330182 /nfs/dbraw/zinc/33/01/82/411330182.db2.gz KTDISABBYZNEQE-RISCZKNCSA-N 0 3 235.375 3.303 20 0 BGADHN CC(C)n1cc([C@H](C)N[C@]2(C)CC2(C)C)cn1 ZINC000658307535 411330271 /nfs/dbraw/zinc/33/02/71/411330271.db2.gz KTDISABBYZNEQE-SMDDNHRTSA-N 0 3 235.375 3.303 20 0 BGADHN Cc1ncc([C@@H](C)N[C@@]2(C)CC2(C)C)s1 ZINC000658307920 411330285 /nfs/dbraw/zinc/33/02/85/411330285.db2.gz NCHSKTZJVADKIE-PELKAZGASA-N 0 3 224.373 3.291 20 0 BGADHN Cc1ncc([C@@H](C)N[C@]2(C)CC2(C)C)s1 ZINC000658307922 411330235 /nfs/dbraw/zinc/33/02/35/411330235.db2.gz NCHSKTZJVADKIE-PRHODGIISA-N 0 3 224.373 3.291 20 0 BGADHN Cc1ncc([C@H](C)N[C@]2(C)CC2(C)C)s1 ZINC000658307924 411330228 /nfs/dbraw/zinc/33/02/28/411330228.db2.gz NCHSKTZJVADKIE-QPUJVOFHSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1ncc([C@H](C)N[C@@]2(C)CC2(C)C)s1 ZINC000658307925 411330348 /nfs/dbraw/zinc/33/03/48/411330348.db2.gz NCHSKTZJVADKIE-UFBFGSQYSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1ccncc1[C@@H](C)N[C@]1(C)CC1(C)C ZINC000658309475 411331017 /nfs/dbraw/zinc/33/10/17/411331017.db2.gz WKSWTCFJBGAPPH-BXUZGUMPSA-N 0 3 218.344 3.229 20 0 BGADHN Cc1ccncc1[C@H](C)N[C@@]1(C)CC1(C)C ZINC000658309477 411330798 /nfs/dbraw/zinc/33/07/98/411330798.db2.gz WKSWTCFJBGAPPH-FZMZJTMJSA-N 0 3 218.344 3.229 20 0 BGADHN Cc1ccncc1[C@@H](C)N[C@@]1(C)CC1(C)C ZINC000658309478 411330983 /nfs/dbraw/zinc/33/09/83/411330983.db2.gz WKSWTCFJBGAPPH-RISCZKNCSA-N 0 3 218.344 3.229 20 0 BGADHN Cc1ccncc1[C@H](C)N[C@]1(C)CC1(C)C ZINC000658309480 411330770 /nfs/dbraw/zinc/33/07/70/411330770.db2.gz WKSWTCFJBGAPPH-SMDDNHRTSA-N 0 3 218.344 3.229 20 0 BGADHN C[C@@H](N[C@]1(C)CC1(C)C)c1ccc(F)cn1 ZINC000658309602 411330805 /nfs/dbraw/zinc/33/08/05/411330805.db2.gz XPVGQNHYHLXLNG-NOZJJQNGSA-N 0 3 222.307 3.060 20 0 BGADHN C[C@@H](N[C@@]1(C)CC1(C)C)c1ccc(F)cn1 ZINC000658309603 411331028 /nfs/dbraw/zinc/33/10/28/411331028.db2.gz XPVGQNHYHLXLNG-RNCFNFMXSA-N 0 3 222.307 3.060 20 0 BGADHN C[C@H](N[C@]1(C)CC1(C)C)c1ccc(F)cn1 ZINC000658309605 411330861 /nfs/dbraw/zinc/33/08/61/411330861.db2.gz XPVGQNHYHLXLNG-TVQRCGJNSA-N 0 3 222.307 3.060 20 0 BGADHN C[C@H](N[C@@]1(C)CC1(C)C)c1ccc(F)cn1 ZINC000658309607 411331081 /nfs/dbraw/zinc/33/10/81/411331081.db2.gz XPVGQNHYHLXLNG-ZANVPECISA-N 0 3 222.307 3.060 20 0 BGADHN CO[C@H](CN[C@H](C)c1ccoc1)C1CCCC1 ZINC000658314750 487584645 /nfs/dbraw/zinc/58/46/45/487584645.db2.gz JQVXWBZQNOKKIA-BXUZGUMPSA-N 0 3 237.343 3.135 20 0 BGADHN CO[C@@H](CN[C@@H](C)c1ccoc1)C1CCCC1 ZINC000658314752 487584203 /nfs/dbraw/zinc/58/42/03/487584203.db2.gz JQVXWBZQNOKKIA-FZMZJTMJSA-N 0 3 237.343 3.135 20 0 BGADHN CO[C@@H](CN[C@H](C)c1ccoc1)C1CCCC1 ZINC000658314754 487584593 /nfs/dbraw/zinc/58/45/93/487584593.db2.gz JQVXWBZQNOKKIA-RISCZKNCSA-N 0 3 237.343 3.135 20 0 BGADHN CO[C@H](CN[C@@H](C)c1ccoc1)C1CCCC1 ZINC000658314756 487584487 /nfs/dbraw/zinc/58/44/87/487584487.db2.gz JQVXWBZQNOKKIA-SMDDNHRTSA-N 0 3 237.343 3.135 20 0 BGADHN CO[C@H](CN[C@H](C)c1ccco1)C1CCCC1 ZINC000658315131 487584760 /nfs/dbraw/zinc/58/47/60/487584760.db2.gz LZQWPAUWQRXZBI-BXUZGUMPSA-N 0 3 237.343 3.135 20 0 BGADHN CO[C@@H](CN[C@@H](C)c1ccco1)C1CCCC1 ZINC000658315132 487584344 /nfs/dbraw/zinc/58/43/44/487584344.db2.gz LZQWPAUWQRXZBI-FZMZJTMJSA-N 0 3 237.343 3.135 20 0 BGADHN CO[C@@H](CN[C@H](C)c1ccco1)C1CCCC1 ZINC000658315133 487583861 /nfs/dbraw/zinc/58/38/61/487583861.db2.gz LZQWPAUWQRXZBI-RISCZKNCSA-N 0 3 237.343 3.135 20 0 BGADHN CO[C@H](CN[C@@H](C)c1ccco1)C1CCCC1 ZINC000658315134 487584529 /nfs/dbraw/zinc/58/45/29/487584529.db2.gz LZQWPAUWQRXZBI-SMDDNHRTSA-N 0 3 237.343 3.135 20 0 BGADHN CC(C)CC1(N[C@H](C)c2cc3n(n2)CCC3)CC1 ZINC000658319705 411332407 /nfs/dbraw/zinc/33/24/07/411332407.db2.gz BWWMALQTQKAANC-GFCCVEGCSA-N 0 3 247.386 3.059 20 0 BGADHN CC(C)CC1(N[C@@H](C)c2cc3n(n2)CCC3)CC1 ZINC000658319706 411332359 /nfs/dbraw/zinc/33/23/59/411332359.db2.gz BWWMALQTQKAANC-LBPRGKRZSA-N 0 3 247.386 3.059 20 0 BGADHN CCn1ccnc1[C@@H](C)NC1(CC(C)C)CC1 ZINC000658319780 411332480 /nfs/dbraw/zinc/33/24/80/411332480.db2.gz HKNHSBZJRJECGU-GFCCVEGCSA-N 0 3 235.375 3.132 20 0 BGADHN CCn1ccnc1[C@H](C)NC1(CC(C)C)CC1 ZINC000658319784 411331809 /nfs/dbraw/zinc/33/18/09/411331809.db2.gz HKNHSBZJRJECGU-LBPRGKRZSA-N 0 3 235.375 3.132 20 0 BGADHN Cc1ncncc1[C@@H](C)NC1(CC(C)C)CC1 ZINC000658319944 411332014 /nfs/dbraw/zinc/33/20/14/411332014.db2.gz RYWKTJHVQIUWBD-GFCCVEGCSA-N 0 3 233.359 3.014 20 0 BGADHN Cc1ncncc1[C@H](C)NC1(CC(C)C)CC1 ZINC000658319946 411331827 /nfs/dbraw/zinc/33/18/27/411331827.db2.gz RYWKTJHVQIUWBD-LBPRGKRZSA-N 0 3 233.359 3.014 20 0 BGADHN CC(C)CC1(N[C@H]2C[C@@H](C)n3ccnc32)CC1 ZINC000658320058 411331838 /nfs/dbraw/zinc/33/18/38/411331838.db2.gz VNMIOLOWKIKKMA-NEPJUHHUSA-N 0 3 233.359 3.057 20 0 BGADHN CC(C)CC1(N[C@@H]2C[C@H](C)n3ccnc32)CC1 ZINC000658320059 411331714 /nfs/dbraw/zinc/33/17/14/411331714.db2.gz VNMIOLOWKIKKMA-NWDGAFQWSA-N 0 3 233.359 3.057 20 0 BGADHN CC(C)CC1(N[C@H]2C[C@H](C)n3ccnc32)CC1 ZINC000658320060 411331904 /nfs/dbraw/zinc/33/19/04/411331904.db2.gz VNMIOLOWKIKKMA-RYUDHWBXSA-N 0 3 233.359 3.057 20 0 BGADHN CC(C)CC1(N[C@@H]2C[C@@H](C)n3ccnc32)CC1 ZINC000658320061 411331721 /nfs/dbraw/zinc/33/17/21/411331721.db2.gz VNMIOLOWKIKKMA-VXGBXAGGSA-N 0 3 233.359 3.057 20 0 BGADHN CC(C)CC1(N[C@@H](C)c2cncs2)CC1 ZINC000658320485 411332531 /nfs/dbraw/zinc/33/25/31/411332531.db2.gz BQDIHZMSSXBWBX-JTQLQIEISA-N 0 3 224.373 3.372 20 0 BGADHN CC(C)CC1(N[C@H](C)c2cncs2)CC1 ZINC000658320486 411331861 /nfs/dbraw/zinc/33/18/61/411331861.db2.gz BQDIHZMSSXBWBX-SNVBAGLBSA-N 0 3 224.373 3.372 20 0 BGADHN CC[C@@H](NC1(CC(C)C)CC1)c1ccn(C)n1 ZINC000658320768 411332424 /nfs/dbraw/zinc/33/24/24/411332424.db2.gz HCYXCDIQWQRESY-GFCCVEGCSA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@H](NC1(CC(C)C)CC1)c1ccn(C)n1 ZINC000658320769 411332235 /nfs/dbraw/zinc/33/22/35/411332235.db2.gz HCYXCDIQWQRESY-LBPRGKRZSA-N 0 3 235.375 3.040 20 0 BGADHN CC(C)CC1(N[C@@H](C)c2nccs2)CC1 ZINC000658320791 411332094 /nfs/dbraw/zinc/33/20/94/411332094.db2.gz IDEYGXQOONCYKG-JTQLQIEISA-N 0 3 224.373 3.372 20 0 BGADHN CC(C)CC1(N[C@H](C)c2nccs2)CC1 ZINC000658320792 411331728 /nfs/dbraw/zinc/33/17/28/411331728.db2.gz IDEYGXQOONCYKG-SNVBAGLBSA-N 0 3 224.373 3.372 20 0 BGADHN Cc1ncc([C@@H](C)NC2(CC(C)C)CC2)c(C)n1 ZINC000658321125 411333281 /nfs/dbraw/zinc/33/32/81/411333281.db2.gz MIQAVVQAPJANSX-GFCCVEGCSA-N 0 3 247.386 3.323 20 0 BGADHN Cc1ncc([C@H](C)NC2(CC(C)C)CC2)c(C)n1 ZINC000658321126 411333726 /nfs/dbraw/zinc/33/37/26/411333726.db2.gz MIQAVVQAPJANSX-LBPRGKRZSA-N 0 3 247.386 3.323 20 0 BGADHN Cc1nccnc1[C@@H](C)NC1(CC(C)C)CC1 ZINC000658321349 411333766 /nfs/dbraw/zinc/33/37/66/411333766.db2.gz OQMBEVFOGAFKCK-GFCCVEGCSA-N 0 3 233.359 3.014 20 0 BGADHN Cc1nccnc1[C@H](C)NC1(CC(C)C)CC1 ZINC000658321350 411333675 /nfs/dbraw/zinc/33/36/75/411333675.db2.gz OQMBEVFOGAFKCK-LBPRGKRZSA-N 0 3 233.359 3.014 20 0 BGADHN CC(C)CC1(N[C@H](C)c2ccc(F)cn2)CC1 ZINC000658321367 411333313 /nfs/dbraw/zinc/33/33/13/411333313.db2.gz PAVGBQDSWMRZNV-LLVKDONJSA-N 0 3 236.334 3.450 20 0 BGADHN CC(C)CC1(N[C@@H](C)c2ccc(F)cn2)CC1 ZINC000658321368 411333373 /nfs/dbraw/zinc/33/33/73/411333373.db2.gz PAVGBQDSWMRZNV-NSHDSACASA-N 0 3 236.334 3.450 20 0 BGADHN CCn1cc([C@@H](C)NC2(CC(C)C)CC2)cn1 ZINC000658321434 411333415 /nfs/dbraw/zinc/33/34/15/411333415.db2.gz RHELRVFROIKLAA-GFCCVEGCSA-N 0 3 235.375 3.132 20 0 BGADHN CCn1cc([C@H](C)NC2(CC(C)C)CC2)cn1 ZINC000658321435 411333595 /nfs/dbraw/zinc/33/35/95/411333595.db2.gz RHELRVFROIKLAA-LBPRGKRZSA-N 0 3 235.375 3.132 20 0 BGADHN CC(C)CC1(N[C@H](C)c2ccccn2)CC1 ZINC000658321706 411333613 /nfs/dbraw/zinc/33/36/13/411333613.db2.gz UWFKNSDGKOQJHJ-GFCCVEGCSA-N 0 3 218.344 3.311 20 0 BGADHN CC(C)CC1(N[C@@H](C)c2ccccn2)CC1 ZINC000658321708 411333033 /nfs/dbraw/zinc/33/30/33/411333033.db2.gz UWFKNSDGKOQJHJ-LBPRGKRZSA-N 0 3 218.344 3.311 20 0 BGADHN C[C@@H](NCCCc1ccco1)c1ccc(F)cn1 ZINC000658325841 411334275 /nfs/dbraw/zinc/33/42/75/411334275.db2.gz UAWCVBOARRBWMR-LLVKDONJSA-N 0 3 248.301 3.097 20 0 BGADHN C[C@H](NCCCc1ccco1)c1ccc(F)cn1 ZINC000658325842 411335236 /nfs/dbraw/zinc/33/52/36/411335236.db2.gz UAWCVBOARRBWMR-NSHDSACASA-N 0 3 248.301 3.097 20 0 BGADHN C[C@H](NCCCc1ccco1)c1cncs1 ZINC000658326516 411335171 /nfs/dbraw/zinc/33/51/71/411335171.db2.gz GQDSRVVLQPUZAB-JTQLQIEISA-N 0 3 236.340 3.020 20 0 BGADHN C[C@@H](NCCCc1ccco1)c1cncs1 ZINC000658326517 411334312 /nfs/dbraw/zinc/33/43/12/411334312.db2.gz GQDSRVVLQPUZAB-SNVBAGLBSA-N 0 3 236.340 3.020 20 0 BGADHN Cc1ccc([C@@H](C)NCCCc2ccco2)o1 ZINC000658327004 411335772 /nfs/dbraw/zinc/33/57/72/411335772.db2.gz MCWFWSPDNSDKHR-GFCCVEGCSA-N 0 3 233.311 3.464 20 0 BGADHN Cc1ccc([C@H](C)NCCCc2ccco2)o1 ZINC000658327005 411336152 /nfs/dbraw/zinc/33/61/52/411336152.db2.gz MCWFWSPDNSDKHR-LBPRGKRZSA-N 0 3 233.311 3.464 20 0 BGADHN C[C@H](NCCCc1ccco1)c1nccs1 ZINC000658328035 411336199 /nfs/dbraw/zinc/33/61/99/411336199.db2.gz STUGHBTWYZMJPL-JTQLQIEISA-N 0 3 236.340 3.020 20 0 BGADHN C[C@@H](NCCCc1ccco1)c1nccs1 ZINC000658328036 411336167 /nfs/dbraw/zinc/33/61/67/411336167.db2.gz STUGHBTWYZMJPL-SNVBAGLBSA-N 0 3 236.340 3.020 20 0 BGADHN C[C@@H](NCCCc1ccco1)c1ccoc1 ZINC000658328680 411337455 /nfs/dbraw/zinc/33/74/55/411337455.db2.gz YKGMDFWBRZDKRJ-LLVKDONJSA-N 0 3 219.284 3.156 20 0 BGADHN C[C@H](NCCCc1ccco1)c1ccoc1 ZINC000658328683 411337076 /nfs/dbraw/zinc/33/70/76/411337076.db2.gz YKGMDFWBRZDKRJ-NSHDSACASA-N 0 3 219.284 3.156 20 0 BGADHN C[C@@H](NCCCc1ccco1)c1ccco1 ZINC000658328691 411336905 /nfs/dbraw/zinc/33/69/05/411336905.db2.gz YMWMJRLKXWSYPI-LLVKDONJSA-N 0 3 219.284 3.156 20 0 BGADHN C[C@H](NCCCc1ccco1)c1ccco1 ZINC000658328693 411337146 /nfs/dbraw/zinc/33/71/46/411337146.db2.gz YMWMJRLKXWSYPI-NSHDSACASA-N 0 3 219.284 3.156 20 0 BGADHN CO[C@@]1(C)C[C@H]1N[C@H](c1ccc(C)o1)C1CCC1 ZINC000658329780 411336950 /nfs/dbraw/zinc/33/69/50/411336950.db2.gz AJNDLAXWZNKINI-ILXRZTDVSA-N 0 3 249.354 3.196 20 0 BGADHN CO[C@@]1(C)C[C@H]1N[C@@H](c1ccc(C)o1)C1CCC1 ZINC000658329783 411336859 /nfs/dbraw/zinc/33/68/59/411336859.db2.gz AJNDLAXWZNKINI-KFWWJZLASA-N 0 3 249.354 3.196 20 0 BGADHN CC[C@@H](N[C@@H]1C[C@]1(C)OC)c1ccccc1F ZINC000658330440 411338628 /nfs/dbraw/zinc/33/86/28/411338628.db2.gz DHHBXTNLZNJCCR-MCIONIFRSA-N 0 3 237.318 3.044 20 0 BGADHN CC[C@H](N[C@@H]1C[C@]1(C)OC)c1ccccc1F ZINC000658330442 411338132 /nfs/dbraw/zinc/33/81/32/411338132.db2.gz DHHBXTNLZNJCCR-MJBXVCDLSA-N 0 3 237.318 3.044 20 0 BGADHN CC[C@@H](N[C@@H]1C[C@]1(C)OC)c1cccc(F)c1 ZINC000658330595 411338341 /nfs/dbraw/zinc/33/83/41/411338341.db2.gz FLCIPOZNDHFBER-MCIONIFRSA-N 0 3 237.318 3.044 20 0 BGADHN CC[C@H](N[C@@H]1C[C@]1(C)OC)c1cccc(F)c1 ZINC000658330597 411337740 /nfs/dbraw/zinc/33/77/40/411337740.db2.gz FLCIPOZNDHFBER-MJBXVCDLSA-N 0 3 237.318 3.044 20 0 BGADHN CCC[C@@H](N[C@@H]1C[C@]1(C)OC)c1ccsc1 ZINC000658330977 411338150 /nfs/dbraw/zinc/33/81/50/411338150.db2.gz HEFIHOUHQWIHIG-UPJWGTAASA-N 0 3 239.384 3.356 20 0 BGADHN CCC[C@H](N[C@@H]1C[C@]1(C)OC)c1ccsc1 ZINC000658330979 411338156 /nfs/dbraw/zinc/33/81/56/411338156.db2.gz HEFIHOUHQWIHIG-XQQFMLRXSA-N 0 3 239.384 3.356 20 0 BGADHN CO[C@@]1(C)C[C@H]1N[C@H]1C[C@H](C)c2ccccc21 ZINC000658331538 411343361 /nfs/dbraw/zinc/34/33/61/411343361.db2.gz NDHOCQSETUMWDW-HPEDKQMDSA-N 0 3 231.339 3.002 20 0 BGADHN CO[C@@]1(C)C[C@H]1N[C@H]1C[C@@H](C)c2ccccc21 ZINC000658331541 411343116 /nfs/dbraw/zinc/34/31/16/411343116.db2.gz NDHOCQSETUMWDW-KAOXEZKKSA-N 0 3 231.339 3.002 20 0 BGADHN CO[C@@]1(C)C[C@H]1N[C@@H]1C[C@H](C)c2ccccc21 ZINC000658331544 411340017 /nfs/dbraw/zinc/34/00/17/411340017.db2.gz NDHOCQSETUMWDW-QOWREQOWSA-N 0 3 231.339 3.002 20 0 BGADHN CO[C@@]1(C)C[C@H]1N[C@@H]1C[C@@H](C)c2ccccc21 ZINC000658331547 411339864 /nfs/dbraw/zinc/33/98/64/411339864.db2.gz NDHOCQSETUMWDW-QZKOUSHUSA-N 0 3 231.339 3.002 20 0 BGADHN CO[C@@]1(C)C[C@H]1N[C@H](c1ccc(F)cc1)C1CC1 ZINC000658331603 411339832 /nfs/dbraw/zinc/33/98/32/411339832.db2.gz LCTFTUNYLMWERT-ILXRZTDVSA-N 0 3 249.329 3.044 20 0 BGADHN CO[C@@]1(C)C[C@H]1N[C@@H](c1ccc(F)cc1)C1CC1 ZINC000658331605 411339759 /nfs/dbraw/zinc/33/97/59/411339759.db2.gz LCTFTUNYLMWERT-KFWWJZLASA-N 0 3 249.329 3.044 20 0 BGADHN CO[C@@]1(C)C[C@H]1N[C@@H](C)c1csc(Cl)c1 ZINC000658331935 411339768 /nfs/dbraw/zinc/33/97/68/411339768.db2.gz NGDAXEBEPMTSNT-NMLBEHRDSA-N 0 3 245.775 3.230 20 0 BGADHN CO[C@@]1(C)C[C@H]1N[C@H](C)c1csc(Cl)c1 ZINC000658331937 411339358 /nfs/dbraw/zinc/33/93/58/411339358.db2.gz NGDAXEBEPMTSNT-ZOFUNIGCSA-N 0 3 245.775 3.230 20 0 BGADHN Cc1ccc([C@@H](C)NC[C@@H]2CCOC2(C)C)o1 ZINC000658334316 411342290 /nfs/dbraw/zinc/34/22/90/411342290.db2.gz YMVPVMWXNAFBPW-NEPJUHHUSA-N 0 3 237.343 3.054 20 0 BGADHN Cc1ccc([C@H](C)NC[C@H]2CCOC2(C)C)o1 ZINC000658334317 411342730 /nfs/dbraw/zinc/34/27/30/411342730.db2.gz YMVPVMWXNAFBPW-NWDGAFQWSA-N 0 3 237.343 3.054 20 0 BGADHN Cc1ccc([C@H](C)NC[C@@H]2CCOC2(C)C)o1 ZINC000658334318 411341857 /nfs/dbraw/zinc/34/18/57/411341857.db2.gz YMVPVMWXNAFBPW-RYUDHWBXSA-N 0 3 237.343 3.054 20 0 BGADHN Cc1ccc([C@@H](C)NC[C@H]2CCOC2(C)C)o1 ZINC000658334319 411342495 /nfs/dbraw/zinc/34/24/95/411342495.db2.gz YMVPVMWXNAFBPW-VXGBXAGGSA-N 0 3 237.343 3.054 20 0 BGADHN CCc1ccc([C@H](C)N[C@@H]2C[C@]2(C)OC)s1 ZINC000658334445 411342435 /nfs/dbraw/zinc/34/24/35/411342435.db2.gz JKPSWHCAFXKKEN-BIMULSAOSA-N 0 3 239.384 3.139 20 0 BGADHN CCc1ccc([C@@H](C)N[C@@H]2C[C@]2(C)OC)s1 ZINC000658334446 411342668 /nfs/dbraw/zinc/34/26/68/411342668.db2.gz JKPSWHCAFXKKEN-WQAKAFBOSA-N 0 3 239.384 3.139 20 0 BGADHN CO[C@@]1(C)C[C@H]1N[C@H](C)c1cc2ccccc2o1 ZINC000658334483 411342481 /nfs/dbraw/zinc/34/24/81/411342481.db2.gz KHHNYOWXHPZCOV-KMUNFCNLSA-N 0 3 245.322 3.261 20 0 BGADHN CO[C@@]1(C)C[C@H]1N[C@@H](C)c1cc2ccccc2o1 ZINC000658334484 411342690 /nfs/dbraw/zinc/34/26/90/411342690.db2.gz KHHNYOWXHPZCOV-VQISRLSMSA-N 0 3 245.322 3.261 20 0 BGADHN CO[C@@]1(C)C[C@H]1N[C@@H](C)c1ccc(Cl)s1 ZINC000658334538 411341912 /nfs/dbraw/zinc/34/19/12/411341912.db2.gz MEIKRJWIFKTEDM-NMLBEHRDSA-N 0 3 245.775 3.230 20 0 BGADHN CO[C@@]1(C)C[C@H]1N[C@H](C)c1ccc(Cl)s1 ZINC000658334539 411342563 /nfs/dbraw/zinc/34/25/63/411342563.db2.gz MEIKRJWIFKTEDM-ZOFUNIGCSA-N 0 3 245.775 3.230 20 0 BGADHN CO[C@@]1(C)C[C@H]1N[C@@H](C)c1cc(C)sc1C ZINC000658334562 411343533 /nfs/dbraw/zinc/34/35/33/411343533.db2.gz MXUVUMYZCWUTGQ-BIMULSAOSA-N 0 3 239.384 3.193 20 0 BGADHN CO[C@@]1(C)C[C@H]1N[C@H](C)c1cc(C)sc1C ZINC000658334563 411343554 /nfs/dbraw/zinc/34/35/54/411343554.db2.gz MXUVUMYZCWUTGQ-WQAKAFBOSA-N 0 3 239.384 3.193 20 0 BGADHN CC[C@@H](N[C@@H]1C[C@]1(C)OC)c1ccc(F)cc1 ZINC000658334572 411343288 /nfs/dbraw/zinc/34/32/88/411343288.db2.gz NHCKUVBMXCNTMZ-MCIONIFRSA-N 0 3 237.318 3.044 20 0 BGADHN CC[C@H](N[C@@H]1C[C@]1(C)OC)c1ccc(F)cc1 ZINC000658334573 411343135 /nfs/dbraw/zinc/34/31/35/411343135.db2.gz NHCKUVBMXCNTMZ-MJBXVCDLSA-N 0 3 237.318 3.044 20 0 BGADHN CO[C@@]1(C)C[C@H]1N[C@@H](C)c1cccc(Cl)c1 ZINC000658334641 411343444 /nfs/dbraw/zinc/34/34/44/411343444.db2.gz QANIZXHVGHHQKG-BIMULSAOSA-N 0 3 239.746 3.168 20 0 BGADHN CO[C@@]1(C)C[C@H]1N[C@H](C)c1cccc(Cl)c1 ZINC000658334642 411343763 /nfs/dbraw/zinc/34/37/63/411343763.db2.gz QANIZXHVGHHQKG-WQAKAFBOSA-N 0 3 239.746 3.168 20 0 BGADHN CC[C@H](C)C[C@H](CC)N[C@@H](C)c1nccn1C ZINC000658335061 411343461 /nfs/dbraw/zinc/34/34/61/411343461.db2.gz IOFKKSPECZCZRD-AVGNSLFASA-N 0 3 237.391 3.286 20 0 BGADHN CC[C@H](C[C@@H](C)CC)N[C@@H](C)c1nccn1C ZINC000658335062 411343187 /nfs/dbraw/zinc/34/31/87/411343187.db2.gz IOFKKSPECZCZRD-RWMBFGLXSA-N 0 3 237.391 3.286 20 0 BGADHN CC[C@H](C)C[C@H](CC)N[C@H](C)c1nccn1C ZINC000658335063 411343441 /nfs/dbraw/zinc/34/34/41/411343441.db2.gz IOFKKSPECZCZRD-XQQFMLRXSA-N 0 3 237.391 3.286 20 0 BGADHN CC[C@H](C[C@@H](C)CC)N[C@H](C)c1nccn1C ZINC000658335064 411343833 /nfs/dbraw/zinc/34/38/33/411343833.db2.gz IOFKKSPECZCZRD-YNEHKIRRSA-N 0 3 237.391 3.286 20 0 BGADHN CCCC[C@H](CC)N[C@H](C)c1nccn1C ZINC000658335257 411343429 /nfs/dbraw/zinc/34/34/29/411343429.db2.gz PPOKPORQMIPJFY-NEPJUHHUSA-N 0 3 223.364 3.040 20 0 BGADHN CCCC[C@@H](CC)N[C@@H](C)c1nccn1C ZINC000658335258 411343370 /nfs/dbraw/zinc/34/33/70/411343370.db2.gz PPOKPORQMIPJFY-NWDGAFQWSA-N 0 3 223.364 3.040 20 0 BGADHN CCCC[C@H](CC)N[C@@H](C)c1nccn1C ZINC000658335259 411343398 /nfs/dbraw/zinc/34/33/98/411343398.db2.gz PPOKPORQMIPJFY-RYUDHWBXSA-N 0 3 223.364 3.040 20 0 BGADHN CCCC[C@@H](CC)N[C@H](C)c1nccn1C ZINC000658335260 411343206 /nfs/dbraw/zinc/34/32/06/411343206.db2.gz PPOKPORQMIPJFY-VXGBXAGGSA-N 0 3 223.364 3.040 20 0 BGADHN CCCC(CCC)N[C@H](C)c1nccn1C ZINC000658335340 411342687 /nfs/dbraw/zinc/34/26/87/411342687.db2.gz SNRQHOWDCQTCTF-LLVKDONJSA-N 0 3 223.364 3.040 20 0 BGADHN CCCC(CCC)N[C@@H](C)c1nccn1C ZINC000658335341 411342505 /nfs/dbraw/zinc/34/25/05/411342505.db2.gz SNRQHOWDCQTCTF-NSHDSACASA-N 0 3 223.364 3.040 20 0 BGADHN C[C@@H](N[C@H](C)C1C(C)(C)C1(C)C)c1nccn1C ZINC000658335709 411343627 /nfs/dbraw/zinc/34/36/27/411343627.db2.gz FORGUYVTZUWXNF-GHMZBOCLSA-N 0 3 249.402 3.141 20 0 BGADHN C[C@@H](N[C@@H](C)c1nccn1C)C1C(C)(C)C1(C)C ZINC000658335710 411343838 /nfs/dbraw/zinc/34/38/38/411343838.db2.gz FORGUYVTZUWXNF-MNOVXSKESA-N 0 3 249.402 3.141 20 0 BGADHN C[C@H](N[C@@H](C)C1C(C)(C)C1(C)C)c1nccn1C ZINC000658335711 411343523 /nfs/dbraw/zinc/34/35/23/411343523.db2.gz FORGUYVTZUWXNF-QWRGUYRKSA-N 0 3 249.402 3.141 20 0 BGADHN C[C@@H](N[C@@H](C)C1C(C)(C)C1(C)C)c1nccn1C ZINC000658335712 411343482 /nfs/dbraw/zinc/34/34/82/411343482.db2.gz FORGUYVTZUWXNF-WDEREUQCSA-N 0 3 249.402 3.141 20 0 BGADHN CC[C@@H]1CC[C@H](C)C[C@@H]1N[C@H](C)c1nccn1C ZINC000658336244 411345371 /nfs/dbraw/zinc/34/53/71/411345371.db2.gz QAFBGABVKNXVMQ-DGAVXFQQSA-N 0 3 249.402 3.286 20 0 BGADHN CC[C@@H]1CC[C@H](C)C[C@@H]1N[C@@H](C)c1nccn1C ZINC000658336246 411344161 /nfs/dbraw/zinc/34/41/61/411344161.db2.gz QAFBGABVKNXVMQ-FQUUOJAGSA-N 0 3 249.402 3.286 20 0 BGADHN CC[C@@H]1CC[C@H](C)C[C@H]1N[C@@H](C)c1nccn1C ZINC000658336247 411344750 /nfs/dbraw/zinc/34/47/50/411344750.db2.gz QAFBGABVKNXVMQ-IGQOVBAYSA-N 0 3 249.402 3.286 20 0 BGADHN CC[C@@H]1CC[C@H](C)C[C@H]1N[C@H](C)c1nccn1C ZINC000658336249 411344397 /nfs/dbraw/zinc/34/43/97/411344397.db2.gz QAFBGABVKNXVMQ-REWJHTLYSA-N 0 3 249.402 3.286 20 0 BGADHN C[C@H](N[C@@H]1CCCC[C@H]1C1CC1)c1nccn1C ZINC000658336785 411344386 /nfs/dbraw/zinc/34/43/86/411344386.db2.gz RBADMZSGDCVGDF-FPMFFAJLSA-N 0 3 247.386 3.040 20 0 BGADHN C[C@H](N[C@@H]1CCCC[C@@H]1C1CC1)c1nccn1C ZINC000658336786 411345027 /nfs/dbraw/zinc/34/50/27/411345027.db2.gz RBADMZSGDCVGDF-IACUBPJLSA-N 0 3 247.386 3.040 20 0 BGADHN C[C@H](N[C@H]1CCCC[C@H]1C1CC1)c1nccn1C ZINC000658336787 411344800 /nfs/dbraw/zinc/34/48/00/411344800.db2.gz RBADMZSGDCVGDF-UBHSHLNASA-N 0 3 247.386 3.040 20 0 BGADHN C[C@H](N[C@H]1CCCC[C@@H]1C1CC1)c1nccn1C ZINC000658336788 411344249 /nfs/dbraw/zinc/34/42/49/411344249.db2.gz RBADMZSGDCVGDF-YUTCNCBUSA-N 0 3 247.386 3.040 20 0 BGADHN CC[C@]1(C)CCC[C@@H]1N[C@H](C)c1nccn1C ZINC000658337281 411344416 /nfs/dbraw/zinc/34/44/16/411344416.db2.gz CEQDBSBSDYXZDH-MBNYWOFBSA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@]1(C)CCC[C@H]1N[C@@H](C)c1nccn1C ZINC000658337282 411344197 /nfs/dbraw/zinc/34/41/97/411344197.db2.gz CEQDBSBSDYXZDH-OUCADQQQSA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@]1(C)CCC[C@@H]1N[C@@H](C)c1nccn1C ZINC000658337284 411344611 /nfs/dbraw/zinc/34/46/11/411344611.db2.gz CEQDBSBSDYXZDH-SGMGOOAPSA-N 0 3 235.375 3.040 20 0 BGADHN CC[C@]1(C)CCC[C@H]1N[C@H](C)c1nccn1C ZINC000658337286 411344731 /nfs/dbraw/zinc/34/47/31/411344731.db2.gz CEQDBSBSDYXZDH-YRGRVCCFSA-N 0 3 235.375 3.040 20 0 BGADHN CCC[C@H](N[C@H](C)c1nccn1C)[C@@H]1CC1(C)C ZINC000658337436 411344867 /nfs/dbraw/zinc/34/48/67/411344867.db2.gz DSEBIIBQWAJDEM-AGIUHOORSA-N 0 3 249.402 3.286 20 0 BGADHN CCC[C@H](N[C@@H](C)c1nccn1C)[C@@H]1CC1(C)C ZINC000658337438 411344574 /nfs/dbraw/zinc/34/45/74/411344574.db2.gz DSEBIIBQWAJDEM-AVGNSLFASA-N 0 3 249.402 3.286 20 0 BGADHN CCC[C@H](N[C@H](C)c1nccn1C)[C@H]1CC1(C)C ZINC000658337440 411344969 /nfs/dbraw/zinc/34/49/69/411344969.db2.gz DSEBIIBQWAJDEM-UPJWGTAASA-N 0 3 249.402 3.286 20 0 BGADHN CCC[C@H](N[C@@H](C)c1nccn1C)[C@H]1CC1(C)C ZINC000658337442 411345226 /nfs/dbraw/zinc/34/52/26/411345226.db2.gz DSEBIIBQWAJDEM-XQQFMLRXSA-N 0 3 249.402 3.286 20 0 BGADHN CC[C@@H]1C[C@H](C)CC[C@H]1N[C@H](C)c1nccn1C ZINC000658337492 411344738 /nfs/dbraw/zinc/34/47/38/411344738.db2.gz UTCSUBWACULOCE-AAVRWANBSA-N 0 3 249.402 3.286 20 0 BGADHN CC[C@@H]1C[C@H](C)CC[C@@H]1N[C@@H](C)c1nccn1C ZINC000658337494 411344912 /nfs/dbraw/zinc/34/49/12/411344912.db2.gz UTCSUBWACULOCE-RQJABVFESA-N 0 3 249.402 3.286 20 0 BGADHN CC[C@@H]1C[C@H](C)CC[C@@H]1N[C@H](C)c1nccn1C ZINC000658337496 411344578 /nfs/dbraw/zinc/34/45/78/411344578.db2.gz UTCSUBWACULOCE-SYQHCUMBSA-N 0 3 249.402 3.286 20 0 BGADHN CC[C@@H]1C[C@H](C)CC[C@H]1N[C@@H](C)c1nccn1C ZINC000658337497 411344156 /nfs/dbraw/zinc/34/41/56/411344156.db2.gz UTCSUBWACULOCE-XJFOESAGSA-N 0 3 249.402 3.286 20 0 BGADHN CC(C)CC[C@@H](N[C@@H](C)c1nccn1C)C1CC1 ZINC000658337679 411344355 /nfs/dbraw/zinc/34/43/55/411344355.db2.gz FZIJOPQVGWXYGF-GXTWGEPZSA-N 0 3 249.402 3.286 20 0 BGADHN CC(C)CC[C@H](N[C@@H](C)c1nccn1C)C1CC1 ZINC000658337681 411344458 /nfs/dbraw/zinc/34/44/58/411344458.db2.gz FZIJOPQVGWXYGF-JSGCOSHPSA-N 0 3 249.402 3.286 20 0 BGADHN CC(C)CC[C@H](N[C@H](C)c1nccn1C)C1CC1 ZINC000658337684 411344477 /nfs/dbraw/zinc/34/44/77/411344477.db2.gz FZIJOPQVGWXYGF-OCCSQVGLSA-N 0 3 249.402 3.286 20 0 BGADHN CC(C)CC[C@@H](N[C@H](C)c1nccn1C)C1CC1 ZINC000658337690 411344676 /nfs/dbraw/zinc/34/46/76/411344676.db2.gz FZIJOPQVGWXYGF-TZMCWYRMSA-N 0 3 249.402 3.286 20 0 BGADHN C[C@H](CC1CCCC1)N[C@@H](C)c1nccn1C ZINC000658338001 411345813 /nfs/dbraw/zinc/34/58/13/411345813.db2.gz VWVMTIYVGJAJFK-NEPJUHHUSA-N 0 3 235.375 3.040 20 0 BGADHN C[C@@H](N[C@@H](C)CC1CCCC1)c1nccn1C ZINC000658338002 411346482 /nfs/dbraw/zinc/34/64/82/411346482.db2.gz VWVMTIYVGJAJFK-NWDGAFQWSA-N 0 3 235.375 3.040 20 0 BGADHN C[C@@H](CC1CCCC1)N[C@@H](C)c1nccn1C ZINC000658338003 411345954 /nfs/dbraw/zinc/34/59/54/411345954.db2.gz VWVMTIYVGJAJFK-RYUDHWBXSA-N 0 3 235.375 3.040 20 0 BGADHN C[C@H](CC1CCCC1)N[C@H](C)c1nccn1C ZINC000658338004 411345920 /nfs/dbraw/zinc/34/59/20/411345920.db2.gz VWVMTIYVGJAJFK-VXGBXAGGSA-N 0 3 235.375 3.040 20 0 BGADHN CCC[C@H](C)[C@H](CC)N[C@@H](C)c1nccn1C ZINC000658338506 411346050 /nfs/dbraw/zinc/34/60/50/411346050.db2.gz ZSMQKGHCIVNXEB-AVGNSLFASA-N 0 3 237.391 3.286 20 0 BGADHN CCC[C@H](C)[C@@H](CC)N[C@@H](C)c1nccn1C ZINC000658338507 411346288 /nfs/dbraw/zinc/34/62/88/411346288.db2.gz ZSMQKGHCIVNXEB-RWMBFGLXSA-N 0 3 237.391 3.286 20 0 BGADHN CCC[C@H](C)[C@H](CC)N[C@H](C)c1nccn1C ZINC000658338508 411346010 /nfs/dbraw/zinc/34/60/10/411346010.db2.gz ZSMQKGHCIVNXEB-XQQFMLRXSA-N 0 3 237.391 3.286 20 0 BGADHN CCC[C@H](C)[C@@H](CC)N[C@H](C)c1nccn1C ZINC000658338509 411345901 /nfs/dbraw/zinc/34/59/01/411345901.db2.gz ZSMQKGHCIVNXEB-YNEHKIRRSA-N 0 3 237.391 3.286 20 0 BGADHN CCCC[C@H](C)[C@H](C)N[C@@H](C)c1nccn1C ZINC000658338782 411345990 /nfs/dbraw/zinc/34/59/90/411345990.db2.gz LOGHUCHHEYRDIR-AVGNSLFASA-N 0 3 237.391 3.286 20 0 BGADHN CCCC[C@H](C)[C@H](C)N[C@H](C)c1nccn1C ZINC000658338783 411346084 /nfs/dbraw/zinc/34/60/84/411346084.db2.gz LOGHUCHHEYRDIR-RWMBFGLXSA-N 0 3 237.391 3.286 20 0 BGADHN CCCC[C@H](C)[C@@H](C)N[C@@H](C)c1nccn1C ZINC000658338784 411346038 /nfs/dbraw/zinc/34/60/38/411346038.db2.gz LOGHUCHHEYRDIR-XQQFMLRXSA-N 0 3 237.391 3.286 20 0 BGADHN CCCC[C@H](C)[C@@H](C)N[C@H](C)c1nccn1C ZINC000658338785 411346434 /nfs/dbraw/zinc/34/64/34/411346434.db2.gz LOGHUCHHEYRDIR-YNEHKIRRSA-N 0 3 237.391 3.286 20 0 BGADHN C[C@@H](N[C@@H]1CCCC12CCCC2)c1nccn1C ZINC000658338786 411345913 /nfs/dbraw/zinc/34/59/13/411345913.db2.gz LPJZGWBGORKTPT-CHWSQXEVSA-N 0 3 247.386 3.184 20 0 BGADHN C[C@@H](N[C@H]1CCCC12CCCC2)c1nccn1C ZINC000658338787 411346425 /nfs/dbraw/zinc/34/64/25/411346425.db2.gz LPJZGWBGORKTPT-OLZOCXBDSA-N 0 3 247.386 3.184 20 0 BGADHN C[C@H](N[C@@H]1CCCC12CCCC2)c1nccn1C ZINC000658338788 411346634 /nfs/dbraw/zinc/34/66/34/411346634.db2.gz LPJZGWBGORKTPT-QWHCGFSZSA-N 0 3 247.386 3.184 20 0 BGADHN C[C@H](N[C@H]1CCCC12CCCC2)c1nccn1C ZINC000658338789 411346663 /nfs/dbraw/zinc/34/66/63/411346663.db2.gz LPJZGWBGORKTPT-STQMWFEESA-N 0 3 247.386 3.184 20 0 BGADHN C[C@@H](N[C@@H](C1CC1)C1CCCC1)c1nccn1C ZINC000658338967 411346127 /nfs/dbraw/zinc/34/61/27/411346127.db2.gz NEPDNSDZZJALMP-BXUZGUMPSA-N 0 3 247.386 3.040 20 0 BGADHN C[C@H](N[C@H](C1CC1)C1CCCC1)c1nccn1C ZINC000658338969 411346044 /nfs/dbraw/zinc/34/60/44/411346044.db2.gz NEPDNSDZZJALMP-FZMZJTMJSA-N 0 3 247.386 3.040 20 0 BGADHN C[C@@H](N[C@H](C1CC1)C1CCCC1)c1nccn1C ZINC000658338971 411346400 /nfs/dbraw/zinc/34/64/00/411346400.db2.gz NEPDNSDZZJALMP-RISCZKNCSA-N 0 3 247.386 3.040 20 0 BGADHN C[C@H](N[C@@H](C1CC1)C1CCCC1)c1nccn1C ZINC000658338973 411346018 /nfs/dbraw/zinc/34/60/18/411346018.db2.gz NEPDNSDZZJALMP-SMDDNHRTSA-N 0 3 247.386 3.040 20 0 BGADHN C[C@@H](NC1CC(C)(C)C1)c1cc2n(n1)CCCC2 ZINC000658346297 487589961 /nfs/dbraw/zinc/58/99/61/487589961.db2.gz FLTSSDVLCHSEPX-LLVKDONJSA-N 0 3 247.386 3.059 20 0 BGADHN C[C@H](NC1CC(C)(C)C1)c1cc2n(n1)CCCC2 ZINC000658346298 487589181 /nfs/dbraw/zinc/58/91/81/487589181.db2.gz FLTSSDVLCHSEPX-NSHDSACASA-N 0 3 247.386 3.059 20 0 BGADHN Cc1ncc([C@@H](C)NC2CC(C)(C)C2)s1 ZINC000658346580 487589520 /nfs/dbraw/zinc/58/95/20/487589520.db2.gz JVESCJOCBCRRDS-MRVPVSSYSA-N 0 3 224.373 3.291 20 0 BGADHN Cc1ncc([C@H](C)NC2CC(C)(C)C2)s1 ZINC000658346581 487589784 /nfs/dbraw/zinc/58/97/84/487589784.db2.gz JVESCJOCBCRRDS-QMMMGPOBSA-N 0 3 224.373 3.291 20 0 BGADHN CC(C)Cc1cccc([C@@H](C)N[C@H]2C[C@H](O)C2)c1 ZINC000658349349 411350505 /nfs/dbraw/zinc/35/05/05/411350505.db2.gz WAECPEJHZLYZJJ-DAXOMENPSA-N 0 3 247.382 3.059 20 0 BGADHN CC(C)Cc1cccc([C@H](C)N[C@H]2C[C@H](O)C2)c1 ZINC000658349355 411349703 /nfs/dbraw/zinc/34/97/03/411349703.db2.gz WAECPEJHZLYZJJ-RCBQFDQVSA-N 0 3 247.382 3.059 20 0 BGADHN C[C@@H](N[C@H]1C[C@H](O)C1)c1ccc2ccccc2c1 ZINC000658350708 411352150 /nfs/dbraw/zinc/35/21/50/411352150.db2.gz HKKYXBQGOSOZLK-HFBAOOFYSA-N 0 3 241.334 3.014 20 0 BGADHN C[C@H](N[C@H]1C[C@H](O)C1)c1ccc2ccccc2c1 ZINC000658350712 411352342 /nfs/dbraw/zinc/35/23/42/411352342.db2.gz HKKYXBQGOSOZLK-UVBJJODRSA-N 0 3 241.334 3.014 20 0 BGADHN C[C@H](N[C@H]1C[C@H](O)C1)c1ccc(C(C)(C)C)cc1 ZINC000658351201 541495893 /nfs/dbraw/zinc/49/58/93/541495893.db2.gz LAMJPBHCXZXMFB-CQDKDKBSSA-N 0 3 247.382 3.158 20 0 BGADHN C[C@@H](N[C@H]1C[C@H](O)C1)c1ccc(C(C)(C)C)cc1 ZINC000658351203 541495750 /nfs/dbraw/zinc/49/57/50/541495750.db2.gz LAMJPBHCXZXMFB-KCPJHIHWSA-N 0 3 247.382 3.158 20 0 BGADHN CC(C)Cc1ccc([C@@H](C)N[C@H]2C[C@H](O)C2)cc1 ZINC000658351609 411353332 /nfs/dbraw/zinc/35/33/32/411353332.db2.gz PJJBXWWXRHLWMG-DAXOMENPSA-N 0 3 247.382 3.059 20 0 BGADHN CC(C)Cc1ccc([C@H](C)N[C@H]2C[C@H](O)C2)cc1 ZINC000658351610 411353234 /nfs/dbraw/zinc/35/32/34/411353234.db2.gz PJJBXWWXRHLWMG-RCBQFDQVSA-N 0 3 247.382 3.059 20 0 BGADHN COC1CCN(Cc2cccc(C(C)C)c2)CC1 ZINC000659812072 411459759 /nfs/dbraw/zinc/45/97/59/411459759.db2.gz RVADDOIGMLMBAD-UHFFFAOYSA-N 0 3 247.382 3.421 20 0 BGADHN CN(Cc1ccccc1F)CC1CC=CC1 ZINC000659812124 411299024 /nfs/dbraw/zinc/29/90/24/411299024.db2.gz KNTVMTCHCIIKLF-UHFFFAOYSA-N 0 3 219.303 3.224 20 0 BGADHN Cc1cc(CN(C)CC2CCCCC2)nc(C)n1 ZINC000659812669 411460228 /nfs/dbraw/zinc/46/02/28/411460228.db2.gz MTDJQEDNQDCAMZ-UHFFFAOYSA-N 0 3 247.386 3.106 20 0 BGADHN CCN(Cc1ccccc1)[C@@H]1COC(C)(C)C1 ZINC000659813033 411461062 /nfs/dbraw/zinc/46/10/62/411461062.db2.gz FQPPBKWLIDMXTK-AWEZNQCLSA-N 0 3 233.355 3.076 20 0 BGADHN CCN(Cc1ccccc1)[C@H]1COC(C)(C)C1 ZINC000659813034 411460971 /nfs/dbraw/zinc/46/09/71/411460971.db2.gz FQPPBKWLIDMXTK-CQSZACIVSA-N 0 3 233.355 3.076 20 0 BGADHN CN(Cc1ccccc1F)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000659813655 411462093 /nfs/dbraw/zinc/46/20/93/411462093.db2.gz VNDFXLHHONWSCJ-UBSAEIQESA-N 0 3 233.330 3.304 20 0 BGADHN CCCCN(CC)Cc1cc(C2CC2)no1 ZINC000659815232 411461847 /nfs/dbraw/zinc/46/18/47/411461847.db2.gz CJSHWKCXSZMBTN-UHFFFAOYSA-N 0 3 222.332 3.174 20 0 BGADHN CCCCN(CC)Cc1cnc2ccccc2n1 ZINC000659815684 411301683 /nfs/dbraw/zinc/30/16/83/411301683.db2.gz IILWHBXNAWDKMM-UHFFFAOYSA-N 0 3 243.354 3.252 20 0 BGADHN CN(CCCC1CCC1)Cc1ccco1 ZINC000659815866 487759886 /nfs/dbraw/zinc/75/98/86/487759886.db2.gz KXWSJXLXMNCVAX-UHFFFAOYSA-N 0 3 207.317 3.292 20 0 BGADHN Cc1nc(CN(C)C2CCCCCC2)c(C)o1 ZINC000659815878 411461622 /nfs/dbraw/zinc/46/16/22/411461622.db2.gz LYEGPUZDBGUSEA-UHFFFAOYSA-N 0 3 236.359 3.446 20 0 BGADHN CCCN(Cc1cc(C2CC2)no1)CC1CC1 ZINC000659816377 411462629 /nfs/dbraw/zinc/46/26/29/411462629.db2.gz REBQKMGPEZADPF-UHFFFAOYSA-N 0 3 234.343 3.174 20 0 BGADHN CCN(Cc1cccs1)[C@H]1COC(C)(C)C1 ZINC000659816480 411463265 /nfs/dbraw/zinc/46/32/65/411463265.db2.gz RIDPKYYWXPPBGA-LLVKDONJSA-N 0 3 239.384 3.138 20 0 BGADHN CCN(Cc1cccs1)[C@@H]1COC(C)(C)C1 ZINC000659816482 411462883 /nfs/dbraw/zinc/46/28/83/411462883.db2.gz RIDPKYYWXPPBGA-NSHDSACASA-N 0 3 239.384 3.138 20 0 BGADHN CC[C@@H](CC(F)F)CN(C)Cc1ccco1 ZINC000659816572 411463139 /nfs/dbraw/zinc/46/31/39/411463139.db2.gz SFQVVHMDKXPRNL-JTQLQIEISA-N 0 3 231.286 3.393 20 0 BGADHN CC[C@H](CC(F)F)CN(C)Cc1ccco1 ZINC000659816578 411462786 /nfs/dbraw/zinc/46/27/86/411462786.db2.gz SFQVVHMDKXPRNL-SNVBAGLBSA-N 0 3 231.286 3.393 20 0 BGADHN CCCCN(CCCC)Cc1cc(C)nc(C)n1 ZINC000659816762 411462716 /nfs/dbraw/zinc/46/27/16/411462716.db2.gz UCAXDHDTJIMRHG-UHFFFAOYSA-N 0 3 249.402 3.496 20 0 BGADHN CCCCN(CCCC)Cc1cc(OC)no1 ZINC000659816846 411463305 /nfs/dbraw/zinc/46/33/05/411463305.db2.gz VQBBKXHCAGOWIK-UHFFFAOYSA-N 0 3 240.347 3.085 20 0 BGADHN CN(Cc1ccco1)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000659816910 487767870 /nfs/dbraw/zinc/76/78/70/487767870.db2.gz UNBQNIZTUYLRGH-FRRDWIJNSA-N 0 3 219.328 3.148 20 0 BGADHN CN(Cc1ccco1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000659816912 487767968 /nfs/dbraw/zinc/76/79/68/487767968.db2.gz UNBQNIZTUYLRGH-UPJWGTAASA-N 0 3 219.328 3.148 20 0 BGADHN Cc1cc(CN(C)C2CCCCCC2)nc(C)n1 ZINC000659817177 411303856 /nfs/dbraw/zinc/30/38/56/411303856.db2.gz YJBTWLWQQQNDMN-UHFFFAOYSA-N 0 3 247.386 3.248 20 0 BGADHN CN(Cc1cnn(C)c1)C[C@@H]1CCCCC1(C)C ZINC000659817979 411462684 /nfs/dbraw/zinc/46/26/84/411462684.db2.gz SCKTYXJGRJVBAM-AWEZNQCLSA-N 0 3 249.402 3.068 20 0 BGADHN CN(Cc1cnn(C)c1)C[C@H]1CCCCC1(C)C ZINC000659817981 411463152 /nfs/dbraw/zinc/46/31/52/411463152.db2.gz SCKTYXJGRJVBAM-CQSZACIVSA-N 0 3 249.402 3.068 20 0 BGADHN CN(CCC1CCC1)Cc1ccsc1 ZINC000659820376 411462746 /nfs/dbraw/zinc/46/27/46/411462746.db2.gz GENZRAJZIQGGOZ-UHFFFAOYSA-N 0 3 209.358 3.370 20 0 BGADHN Cc1cc(CN(C)C2CCC(C)CC2)nc(C)n1 ZINC000659823158 411463642 /nfs/dbraw/zinc/46/36/42/411463642.db2.gz ZBZIESIPCILHGI-UHFFFAOYSA-N 0 3 247.386 3.104 20 0 BGADHN CN(Cc1cnc2ccccc2n1)C1CCCC1 ZINC000659824056 411307316 /nfs/dbraw/zinc/30/73/16/411307316.db2.gz MQVXSGZINFDWJP-UHFFFAOYSA-N 0 3 241.338 3.004 20 0 BGADHN CC(C)[C@H](C)N(C)Cc1cc(C2CC2)no1 ZINC000659824318 411464422 /nfs/dbraw/zinc/46/44/22/411464422.db2.gz BECHXGAVNPOELU-JTQLQIEISA-N 0 3 222.332 3.028 20 0 BGADHN CC(C)[C@@H](C)N(C)Cc1cc(C2CC2)no1 ZINC000659824319 411463880 /nfs/dbraw/zinc/46/38/80/411463880.db2.gz BECHXGAVNPOELU-SNVBAGLBSA-N 0 3 222.332 3.028 20 0 BGADHN CC(C)[C@@H](C)N(C)Cc1cnc2ccccc2n1 ZINC000659824716 411307877 /nfs/dbraw/zinc/30/78/77/411307877.db2.gz GWBWGVGJEWWFLQ-GFCCVEGCSA-N 0 3 243.354 3.106 20 0 BGADHN CC(C)[C@H](C)N(C)Cc1cnc2ccccc2n1 ZINC000659824719 411307671 /nfs/dbraw/zinc/30/76/71/411307671.db2.gz GWBWGVGJEWWFLQ-LBPRGKRZSA-N 0 3 243.354 3.106 20 0 BGADHN CC(C)=CCCN1CCc2sccc2C1 ZINC000659824734 411307778 /nfs/dbraw/zinc/30/77/78/411307778.db2.gz GYGRYGJUDHKZEF-UHFFFAOYSA-N 0 3 221.369 3.463 20 0 BGADHN CC[C@@H]1CCCN(Cc2cc(C3CC3)no2)C1 ZINC000659825101 411463714 /nfs/dbraw/zinc/46/37/14/411463714.db2.gz NOCHDFMNGAOWSQ-LLVKDONJSA-N 0 3 234.343 3.174 20 0 BGADHN CC[C@H]1CCCN(Cc2cc(C3CC3)no2)C1 ZINC000659825102 411464197 /nfs/dbraw/zinc/46/41/97/411464197.db2.gz NOCHDFMNGAOWSQ-NSHDSACASA-N 0 3 234.343 3.174 20 0 BGADHN c1cc2c(s1)CCN(CCC1CCC1)C2 ZINC000659825786 411464977 /nfs/dbraw/zinc/46/49/77/411464977.db2.gz XROHEXXXGQTHDB-UHFFFAOYSA-N 0 3 221.369 3.296 20 0 BGADHN CC[C@@H]1CCCCN1Cc1cc(C2CC2)no1 ZINC000659826041 411309128 /nfs/dbraw/zinc/30/91/28/411309128.db2.gz CEWSBHWDTMRKIN-GFCCVEGCSA-N 0 3 234.343 3.317 20 0 BGADHN CC[C@H]1CCCCN1Cc1cc(C2CC2)no1 ZINC000659826042 411309729 /nfs/dbraw/zinc/30/97/29/411309729.db2.gz CEWSBHWDTMRKIN-LBPRGKRZSA-N 0 3 234.343 3.317 20 0 BGADHN COc1ccccc1CN(C)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000659826286 411309039 /nfs/dbraw/zinc/30/90/39/411309039.db2.gz KSABCMHPIOWFDJ-YOWGUQMCSA-N 0 3 245.366 3.173 20 0 BGADHN Cc1ccc(CN(C)C[C@@H]2C[C@H]3C[C@H]3C2)o1 ZINC000659826543 411465486 /nfs/dbraw/zinc/46/54/86/411465486.db2.gz HMXFBJSRTJKCCB-CLLJXQQHSA-N 0 3 219.328 3.066 20 0 BGADHN CC(C)=CCCN(C)Cc1ccc(C)o1 ZINC000659826580 411308794 /nfs/dbraw/zinc/30/87/94/411308794.db2.gz HXCKEOIQGPBTRO-UHFFFAOYSA-N 0 3 207.317 3.376 20 0 BGADHN CCN(CC)Cc1cc(F)ccc1OC(F)F ZINC000659827025 411309071 /nfs/dbraw/zinc/30/90/71/411309071.db2.gz QBYKTILGZAYDLR-UHFFFAOYSA-N 0 3 247.260 3.269 20 0 BGADHN CCN(CC)Cc1cccc(F)c1OC(F)F ZINC000659827453 411464794 /nfs/dbraw/zinc/46/47/94/411464794.db2.gz VTPWWEBNSFWKNP-UHFFFAOYSA-N 0 3 247.260 3.269 20 0 BGADHN COc1ccccc1CN(C)CCC=C(C)C ZINC000659827537 411465011 /nfs/dbraw/zinc/46/50/11/411465011.db2.gz YQFNVQKYRVAXNF-UHFFFAOYSA-N 0 3 233.355 3.483 20 0 BGADHN Cc1ccc(CN(C)CCC2CCC2)o1 ZINC000659827567 411465580 /nfs/dbraw/zinc/46/55/80/411465580.db2.gz RPVODZWLRWEBLX-UHFFFAOYSA-N 0 3 207.317 3.210 20 0 BGADHN COc1ccccc1CN(C)CCC1CCC1 ZINC000659827627 411310161 /nfs/dbraw/zinc/31/01/61/411310161.db2.gz ZLOGJBHYCUOKFG-UHFFFAOYSA-N 0 3 233.355 3.317 20 0 BGADHN C[C@@H]1C[C@@H](C)CN(Cc2cc(C3CC3)no2)C1 ZINC000659828219 411310358 /nfs/dbraw/zinc/31/03/58/411310358.db2.gz FRMXJUDBLLOCBD-GHMZBOCLSA-N 0 3 234.343 3.030 20 0 BGADHN C[C@@H]1C[C@H](C)CN(Cc2cc(C3CC3)no2)C1 ZINC000659828222 411310472 /nfs/dbraw/zinc/31/04/72/411310472.db2.gz FRMXJUDBLLOCBD-PHIMTYICSA-N 0 3 234.343 3.030 20 0 BGADHN C[C@H]1C[C@H](C)CN(Cc2cc(C3CC3)no2)C1 ZINC000659828224 411310186 /nfs/dbraw/zinc/31/01/86/411310186.db2.gz FRMXJUDBLLOCBD-QWRGUYRKSA-N 0 3 234.343 3.030 20 0 BGADHN CN(Cc1cc(C2CC2)no1)C1CCCCC1 ZINC000659828239 411310120 /nfs/dbraw/zinc/31/01/20/411310120.db2.gz FTEIJVVJOAKUQR-UHFFFAOYSA-N 0 3 234.343 3.317 20 0 BGADHN C[C@@H]1CCCCN1Cc1cnc2ccccc2n1 ZINC000659829645 411312516 /nfs/dbraw/zinc/31/25/16/411312516.db2.gz UZUUFBBDASMEEN-GFCCVEGCSA-N 0 3 241.338 3.004 20 0 BGADHN C[C@H]1CCCCN1Cc1cnc2ccccc2n1 ZINC000659829646 411312498 /nfs/dbraw/zinc/31/24/98/411312498.db2.gz UZUUFBBDASMEEN-LBPRGKRZSA-N 0 3 241.338 3.004 20 0 BGADHN CC(C)c1cccc(CN2CCC[C@H](CO)C2)c1 ZINC000659830380 491078789 /nfs/dbraw/zinc/07/87/89/491078789.db2.gz ZMTWBYULBVVSSM-HNNXBMFYSA-N 0 3 247.382 3.014 20 0 BGADHN CC(C)c1cccc(CN2CCC[C@@H](CO)C2)c1 ZINC000659830381 491078837 /nfs/dbraw/zinc/07/88/37/491078837.db2.gz ZMTWBYULBVVSSM-OAHLLOKOSA-N 0 3 247.382 3.014 20 0 BGADHN CC(C)=CCCN(C)Cc1ccc2c(c1)OCO2 ZINC000659831384 411467636 /nfs/dbraw/zinc/46/76/36/411467636.db2.gz QGPUHVLTDLGLJP-UHFFFAOYSA-N 0 3 247.338 3.203 20 0 BGADHN c1ccc2nc(CN3CCCCCC3)cnc2c1 ZINC000659831585 411467766 /nfs/dbraw/zinc/46/77/66/411467766.db2.gz INFZDLOHYNQYOD-UHFFFAOYSA-N 0 3 241.338 3.006 20 0 BGADHN c1ccc2c(CCN3CCCCC3)nsc2c1 ZINC000659832935 411468277 /nfs/dbraw/zinc/46/82/77/411468277.db2.gz FCCIEPLNHSWUGT-UHFFFAOYSA-N 0 3 246.379 3.325 20 0 BGADHN Cc1nc(CN(CC(C)C)CC(C)C)c(C)o1 ZINC000659835167 411469313 /nfs/dbraw/zinc/46/93/13/411469313.db2.gz BYPJUTRVVNDARN-UHFFFAOYSA-N 0 3 238.375 3.405 20 0 BGADHN COc1cc(CN(C)[C@H](C)C(C)(C)C)sn1 ZINC000659835489 411470014 /nfs/dbraw/zinc/47/00/14/411470014.db2.gz DXUQGODXRJHKMY-SECBINFHSA-N 0 3 242.388 3.018 20 0 BGADHN COc1cc(CN(C)[C@@H](C)C(C)(C)C)sn1 ZINC000659835490 411467946 /nfs/dbraw/zinc/46/79/46/411467946.db2.gz DXUQGODXRJHKMY-VIFPVBQESA-N 0 3 242.388 3.018 20 0 BGADHN C1=CCC(CN2CCO[C@H](c3ccccc3)C2)C1 ZINC000659835543 411469057 /nfs/dbraw/zinc/46/90/57/411469057.db2.gz FESVSFFYNHLYCX-INIZCTEOSA-N 0 3 243.350 3.026 20 0 BGADHN C1=CCC(CN2CCO[C@@H](c3ccccc3)C2)C1 ZINC000659835549 411469670 /nfs/dbraw/zinc/46/96/70/411469670.db2.gz FESVSFFYNHLYCX-MRXNPFEDSA-N 0 3 243.350 3.026 20 0 BGADHN C[C@H](N(C)Cc1cc(C2CC2)no1)C(C)(C)C ZINC000659835985 411315455 /nfs/dbraw/zinc/31/54/55/411315455.db2.gz KXUFMYHJZABYHG-JTQLQIEISA-N 0 3 236.359 3.418 20 0 BGADHN C[C@@H](N(C)Cc1cc(C2CC2)no1)C(C)(C)C ZINC000659835986 411315462 /nfs/dbraw/zinc/31/54/62/411315462.db2.gz KXUFMYHJZABYHG-SNVBAGLBSA-N 0 3 236.359 3.418 20 0 BGADHN CCC[C@H](C)N(C)Cc1cc(C2CC2)no1 ZINC000659836104 411469718 /nfs/dbraw/zinc/46/97/18/411469718.db2.gz LICFMAIJFRGIND-JTQLQIEISA-N 0 3 222.332 3.172 20 0 BGADHN CCC[C@@H](C)N(C)Cc1cc(C2CC2)no1 ZINC000659836105 411469351 /nfs/dbraw/zinc/46/93/51/411469351.db2.gz LICFMAIJFRGIND-SNVBAGLBSA-N 0 3 222.332 3.172 20 0 BGADHN CCC[C@@H](C)N(C)Cc1cnc2ccccc2n1 ZINC000659836480 411315841 /nfs/dbraw/zinc/31/58/41/411315841.db2.gz RCRXJLCUUXWSSW-GFCCVEGCSA-N 0 3 243.354 3.250 20 0 BGADHN CCC[C@H](C)N(C)Cc1cnc2ccccc2n1 ZINC000659836485 411315879 /nfs/dbraw/zinc/31/58/79/411315879.db2.gz RCRXJLCUUXWSSW-LBPRGKRZSA-N 0 3 243.354 3.250 20 0 BGADHN CC(C)CN(Cc1cc(C2CC2)no1)C1CC1 ZINC000659836707 411469095 /nfs/dbraw/zinc/46/90/95/411469095.db2.gz DGZFCXRAVQEMER-UHFFFAOYSA-N 0 3 234.343 3.172 20 0 BGADHN Cc1nc(CN2CC[C@H](C)[C@@H]3CCCC[C@@H]32)co1 ZINC000659836938 411470057 /nfs/dbraw/zinc/47/00/57/411470057.db2.gz DAWFYGIPQOBJMF-CQDKDKBSSA-N 0 3 248.370 3.384 20 0 BGADHN Cc1nc(CN2CC[C@H](C)[C@H]3CCCC[C@@H]32)co1 ZINC000659836939 411469554 /nfs/dbraw/zinc/46/95/54/411469554.db2.gz DAWFYGIPQOBJMF-GLQYFDAESA-N 0 3 248.370 3.384 20 0 BGADHN Cc1nc(CN2CC[C@H](C)[C@H]3CCCC[C@H]32)co1 ZINC000659836940 411470156 /nfs/dbraw/zinc/47/01/56/411470156.db2.gz DAWFYGIPQOBJMF-NILFDRSVSA-N 0 3 248.370 3.384 20 0 BGADHN Cc1nc(CN2CC[C@H](C)[C@@H]3CCCC[C@H]32)co1 ZINC000659836941 411469874 /nfs/dbraw/zinc/46/98/74/411469874.db2.gz DAWFYGIPQOBJMF-TUKIKUTGSA-N 0 3 248.370 3.384 20 0 BGADHN CCCCCN(Cc1cc(C)nc(C)n1)C(C)C ZINC000659837270 411471174 /nfs/dbraw/zinc/47/11/74/411471174.db2.gz INGIBEQBBGHAHN-UHFFFAOYSA-N 0 3 249.402 3.494 20 0 BGADHN CCCN(CCC)Cc1cc(C2CC2)no1 ZINC000659837646 411471110 /nfs/dbraw/zinc/47/11/10/411471110.db2.gz CIUPIYZYAINCPO-UHFFFAOYSA-N 0 3 222.332 3.174 20 0 BGADHN CCN(Cc1cnc2ccccc2n1)CC(C)C ZINC000659838246 411316676 /nfs/dbraw/zinc/31/66/76/411316676.db2.gz NFMPOHQGHGIZME-UHFFFAOYSA-N 0 3 243.354 3.108 20 0 BGADHN CCCCCN(Cc1cc(OC)no1)C(C)C ZINC000659838526 411317661 /nfs/dbraw/zinc/31/76/61/411317661.db2.gz PKODZWMLBHMUIQ-UHFFFAOYSA-N 0 3 240.347 3.084 20 0 BGADHN CCC(CC)CN(CC)Cc1cc(C)nc(C)n1 ZINC000659838689 411471263 /nfs/dbraw/zinc/47/12/63/411471263.db2.gz KNBZSUPYKGFUJR-UHFFFAOYSA-N 0 3 249.402 3.352 20 0 BGADHN CCN(Cc1cc(C2CC2)no1)CC(C)C ZINC000659838773 411470368 /nfs/dbraw/zinc/47/03/68/411470368.db2.gz RQLUIBHZFWGRTF-UHFFFAOYSA-N 0 3 222.332 3.030 20 0 BGADHN CN(Cc1ccc(F)cc1F)CC1CC=CC1 ZINC000659839346 411321676 /nfs/dbraw/zinc/32/16/76/411321676.db2.gz VHTPWZCILRQCSY-UHFFFAOYSA-N 0 3 237.293 3.363 20 0 BGADHN COCCN(CCC=C(C)C)Cc1ccco1 ZINC000659839617 411323373 /nfs/dbraw/zinc/32/33/73/411323373.db2.gz ZHETUNDVDNVMMM-UHFFFAOYSA-N 0 3 237.343 3.084 20 0 BGADHN CCCN(CCC)Cc1cnc2ccccc2n1 ZINC000659839922 411326801 /nfs/dbraw/zinc/32/68/01/411326801.db2.gz UVKFKFICHNTCKN-UHFFFAOYSA-N 0 3 243.354 3.252 20 0 BGADHN CCc1nocc1CN(CC)C1CCCCC1 ZINC000659840196 411472525 /nfs/dbraw/zinc/47/25/25/411472525.db2.gz CAQLKUSPYPYHIY-UHFFFAOYSA-N 0 3 236.359 3.392 20 0 BGADHN CC(C)c1cccc(CN2CCCC[C@H]2CO)c1 ZINC000659840769 411328686 /nfs/dbraw/zinc/32/86/86/411328686.db2.gz KIMWHWSISAQFNC-INIZCTEOSA-N 0 3 247.382 3.157 20 0 BGADHN CC(C)c1cccc(CN2CCCC[C@@H]2CO)c1 ZINC000659840770 411328696 /nfs/dbraw/zinc/32/86/96/411328696.db2.gz KIMWHWSISAQFNC-MRXNPFEDSA-N 0 3 247.382 3.157 20 0 BGADHN CC[C@H](CC(F)F)CN1C[C@@H](C)OC[C@H]1CC ZINC000659840868 411472818 /nfs/dbraw/zinc/47/28/18/411472818.db2.gz LCAZBAPWAIZAIE-IJLUTSLNSA-N 0 3 249.345 3.167 20 0 BGADHN CC[C@H](CC(F)F)CN1C[C@H](C)OC[C@H]1CC ZINC000659840876 411472278 /nfs/dbraw/zinc/47/22/78/411472278.db2.gz LCAZBAPWAIZAIE-QJPTWQEYSA-N 0 3 249.345 3.167 20 0 BGADHN CC[C@H](CC(F)F)CN1C[C@H](C)OC[C@@H]1CC ZINC000659840886 411472331 /nfs/dbraw/zinc/47/23/31/411472331.db2.gz LCAZBAPWAIZAIE-TUAOUCFPSA-N 0 3 249.345 3.167 20 0 BGADHN CC[C@H](CC(F)F)CN1C[C@@H](C)OC[C@@H]1CC ZINC000659840888 411472357 /nfs/dbraw/zinc/47/23/57/411472357.db2.gz LCAZBAPWAIZAIE-UTUOFQBUSA-N 0 3 249.345 3.167 20 0 BGADHN CCCCN(Cc1cc(C2CC2)no1)C1CC1 ZINC000659841197 411329508 /nfs/dbraw/zinc/32/95/08/411329508.db2.gz MPTMYNBXMKCYMQ-UHFFFAOYSA-N 0 3 234.343 3.317 20 0 BGADHN Cc1cc(CN(C)[C@H]2CCC[C@@H](C)C2)nc(C)n1 ZINC000659841266 411471653 /nfs/dbraw/zinc/47/16/53/411471653.db2.gz AZHHVGUPUZACCN-ABAIWWIYSA-N 0 3 247.386 3.104 20 0 BGADHN Cc1cc(CN(C)[C@@H]2CCC[C@@H](C)C2)nc(C)n1 ZINC000659841267 411472049 /nfs/dbraw/zinc/47/20/49/411472049.db2.gz AZHHVGUPUZACCN-IAQYHMDHSA-N 0 3 247.386 3.104 20 0 BGADHN Cc1cc(CN(C)[C@H]2CCC[C@H](C)C2)nc(C)n1 ZINC000659841268 411329364 /nfs/dbraw/zinc/32/93/64/411329364.db2.gz AZHHVGUPUZACCN-NHYWBVRUSA-N 0 3 247.386 3.104 20 0 BGADHN Cc1cc(CN(C)[C@@H]2CCC[C@H](C)C2)nc(C)n1 ZINC000659841269 411329355 /nfs/dbraw/zinc/32/93/55/411329355.db2.gz AZHHVGUPUZACCN-XHDPSFHLSA-N 0 3 247.386 3.104 20 0 BGADHN C[C@@H](C1CC1)N(Cc1cc(C2CC2)no1)C1CC1 ZINC000659841280 411329125 /nfs/dbraw/zinc/32/91/25/411329125.db2.gz BILCSUUYTCWJSM-JTQLQIEISA-N 0 3 246.354 3.315 20 0 BGADHN C[C@H](C1CC1)N(Cc1cc(C2CC2)no1)C1CC1 ZINC000659841281 411329111 /nfs/dbraw/zinc/32/91/11/411329111.db2.gz BILCSUUYTCWJSM-SNVBAGLBSA-N 0 3 246.354 3.315 20 0 BGADHN Cc1cc(CN(CCC(C)C)C2CC2)nc(C)n1 ZINC000659841307 411472398 /nfs/dbraw/zinc/47/23/98/411472398.db2.gz BXYBTNKDLQADNM-UHFFFAOYSA-N 0 3 247.386 3.104 20 0 BGADHN CCN(Cc1coc(C)n1)C1CCCCC1 ZINC000659841450 411472403 /nfs/dbraw/zinc/47/24/03/411472403.db2.gz SINBYWQZPLPUFE-UHFFFAOYSA-N 0 3 222.332 3.138 20 0 BGADHN CC(C)CN(Cc1cc(C2CC2)no1)C(C)C ZINC000659841858 411473578 /nfs/dbraw/zinc/47/35/78/411473578.db2.gz HJTDXEKIYBOQCA-UHFFFAOYSA-N 0 3 236.359 3.418 20 0 BGADHN CC(C)N(Cc1cnc2ccccc2n1)C1CC1 ZINC000659842163 411331576 /nfs/dbraw/zinc/33/15/76/411331576.db2.gz KMUIGYXJBSTUIU-UHFFFAOYSA-N 0 3 241.338 3.003 20 0 BGADHN COc1cc(CN(CC(C)C)C(C)C)sn1 ZINC000659842179 411331611 /nfs/dbraw/zinc/33/16/11/411331611.db2.gz LACMZXREXHJRIL-UHFFFAOYSA-N 0 3 242.388 3.018 20 0 BGADHN Cc1nc(CN(CC(C)C)C(C)C)c(C)o1 ZINC000659842210 411331935 /nfs/dbraw/zinc/33/19/35/411331935.db2.gz MAIAGGVEOZEGNY-UHFFFAOYSA-N 0 3 224.348 3.158 20 0 BGADHN CCN(Cc1cc(C)nc(C)n1)C1CCCCC1 ZINC000659842317 411473773 /nfs/dbraw/zinc/47/37/73/411473773.db2.gz ZFEGZXHANRDHHI-UHFFFAOYSA-N 0 3 247.386 3.248 20 0 BGADHN CCN(Cc1nc(C)oc1C)C1CCCCC1 ZINC000659842327 411473753 /nfs/dbraw/zinc/47/37/53/411473753.db2.gz ZLAXUTQUQUWDKS-UHFFFAOYSA-N 0 3 236.359 3.446 20 0 BGADHN CC(C)c1cccc(CN(C)C2CC2)c1 ZINC000659842580 490267912 /nfs/dbraw/zinc/26/79/12/490267912.db2.gz PTFVWGKIHYJXMN-UHFFFAOYSA-N 0 3 203.329 3.404 20 0 BGADHN CN(CCSc1ccc(F)cc1F)C1CC1 ZINC000659842795 411335153 /nfs/dbraw/zinc/33/51/53/411335153.db2.gz USYXIOZBEVWEBM-UHFFFAOYSA-N 0 3 243.322 3.151 20 0 BGADHN CSc1cccc(CN(C)C2CC2)c1 ZINC000659843120 411456654 /nfs/dbraw/zinc/45/66/54/411456654.db2.gz ZSQYSRPEYBPGSL-UHFFFAOYSA-N 0 3 207.342 3.003 20 0 BGADHN CCN(Cc1cc(C2CC2)no1)C1CCCC1 ZINC000659843133 584883128 /nfs/dbraw/zinc/88/31/28/584883128.db2.gz KYTXXWPKVHVUJM-UHFFFAOYSA-N 0 3 234.343 3.317 20 0 BGADHN c1ccc2c(c1)CC[C@H]2CCN1CCSCC1 ZINC000659843468 411473705 /nfs/dbraw/zinc/47/37/05/411473705.db2.gz VMSHYQQHCVJKSL-AWEZNQCLSA-N 0 3 247.407 3.155 20 0 BGADHN c1ccc2c(c1)CC[C@@H]2CCN1CCSCC1 ZINC000659843469 411473844 /nfs/dbraw/zinc/47/38/44/411473844.db2.gz VMSHYQQHCVJKSL-CQSZACIVSA-N 0 3 247.407 3.155 20 0 BGADHN CCN(Cc1nc(C)oc1C)C1CCCC1 ZINC000659843606 487844151 /nfs/dbraw/zinc/84/41/51/487844151.db2.gz WYYCNELOPHKEBA-UHFFFAOYSA-N 0 3 222.332 3.056 20 0 BGADHN CC(C)=CCCN1CCC[C@@H]1c1cc(C)no1 ZINC000659844330 411473202 /nfs/dbraw/zinc/47/32/02/411473202.db2.gz BEDXSTKBQLKONL-CYBMUJFWSA-N 0 3 234.343 3.476 20 0 BGADHN CC(C)=CCCN1CCC[C@H]1c1cc(C)no1 ZINC000659844331 411473091 /nfs/dbraw/zinc/47/30/91/411473091.db2.gz BEDXSTKBQLKONL-ZDUSSCGKSA-N 0 3 234.343 3.476 20 0 BGADHN COc1cccc(CN(C)CC2CC2)c1Cl ZINC000659844632 411474241 /nfs/dbraw/zinc/47/42/41/411474241.db2.gz DBYMRVKBCUDGSI-UHFFFAOYSA-N 0 3 239.746 3.190 20 0 BGADHN Cc1cc([C@H]2CCCN2CCC2CCC2)on1 ZINC000659845546 411474680 /nfs/dbraw/zinc/47/46/80/411474680.db2.gz JXHCKHUDUGOMCX-CYBMUJFWSA-N 0 3 234.343 3.310 20 0 BGADHN Cc1cc([C@@H]2CCCN2CCC2CCC2)on1 ZINC000659845548 411474273 /nfs/dbraw/zinc/47/42/73/411474273.db2.gz JXHCKHUDUGOMCX-ZDUSSCGKSA-N 0 3 234.343 3.310 20 0 BGADHN Cc1ncc(CN(C)CCCC2CCC2)s1 ZINC000659846377 411474650 /nfs/dbraw/zinc/47/46/50/411474650.db2.gz QFOQFMZNXULFDE-UHFFFAOYSA-N 0 3 238.400 3.464 20 0 BGADHN CC(C)=CCCN(C)Cc1cnc(C)s1 ZINC000659847399 487853534 /nfs/dbraw/zinc/85/35/34/487853534.db2.gz XTOFTIFDQPIWOT-UHFFFAOYSA-N 0 3 224.373 3.240 20 0 BGADHN Cc1ncc(CN(C)CCC2CCC2)s1 ZINC000659847511 487852914 /nfs/dbraw/zinc/85/29/14/487852914.db2.gz YNQVHGKTWXYRBB-UHFFFAOYSA-N 0 3 224.373 3.074 20 0 BGADHN CC(C)CCN(C)Cc1cnc2ccccc2n1 ZINC000659848075 411341452 /nfs/dbraw/zinc/34/14/52/411341452.db2.gz CVMVJEFGPKJKGK-UHFFFAOYSA-N 0 3 243.354 3.108 20 0 BGADHN CC(C)CCN(C)Cc1cc(C2CC2)no1 ZINC000659850331 411342191 /nfs/dbraw/zinc/34/21/91/411342191.db2.gz YZQUWMSSUBMPFQ-UHFFFAOYSA-N 0 3 222.332 3.030 20 0 BGADHN CC(C)=CCCN1CCOc2ccccc2C1 ZINC000659850521 411477230 /nfs/dbraw/zinc/47/72/30/411477230.db2.gz RVCGEQNKSFEFEC-UHFFFAOYSA-N 0 3 231.339 3.237 20 0 BGADHN CN(CCCC1CCC1)Cc1ccoc1 ZINC000659850835 411476862 /nfs/dbraw/zinc/47/68/62/411476862.db2.gz CDKVLDGMIVKWBM-UHFFFAOYSA-N 0 3 207.317 3.292 20 0 BGADHN c1ccc2c(c1)CN(CCC1CCC1)CCO2 ZINC000659850900 411476976 /nfs/dbraw/zinc/47/69/76/411476976.db2.gz WHQKSSAURCAXET-UHFFFAOYSA-N 0 3 231.339 3.071 20 0 BGADHN CC[C@@H](CC(F)F)CN(C)Cc1ccoc1 ZINC000659851291 411477152 /nfs/dbraw/zinc/47/71/52/411477152.db2.gz HABOSPSRZHIFEG-JTQLQIEISA-N 0 3 231.286 3.393 20 0 BGADHN CC[C@H](CC(F)F)CN(C)Cc1ccoc1 ZINC000659851294 411477200 /nfs/dbraw/zinc/47/72/00/411477200.db2.gz HABOSPSRZHIFEG-SNVBAGLBSA-N 0 3 231.286 3.393 20 0 BGADHN CC(C)=CCCN(C)Cc1ccoc1C ZINC000659851321 490093373 /nfs/dbraw/zinc/09/33/73/490093373.db2.gz FKKHLXQENUTSFW-UHFFFAOYSA-N 0 3 207.317 3.376 20 0 BGADHN CN(Cc1ccoc1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000659852217 411343295 /nfs/dbraw/zinc/34/32/95/411343295.db2.gz MRYZTGWOKRCHGR-BNOWGMLFSA-N 0 3 219.328 3.148 20 0 BGADHN CN(Cc1ccoc1)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000659852220 411343277 /nfs/dbraw/zinc/34/32/77/411343277.db2.gz MRYZTGWOKRCHGR-KWCYVHTRSA-N 0 3 219.328 3.148 20 0 BGADHN CCCN(Cc1cn(C)cn1)CC1CCCCC1 ZINC000659852573 411477667 /nfs/dbraw/zinc/47/76/67/411477667.db2.gz PBAJILJYBKRDKH-UHFFFAOYSA-N 0 3 249.402 3.212 20 0 BGADHN Cc1nc(CN2CCC[C@H]2C2CCCC2)c(C)o1 ZINC000659853568 411478849 /nfs/dbraw/zinc/47/88/49/411478849.db2.gz SMOLEGIKTBFFIW-HNNXBMFYSA-N 0 3 248.370 3.446 20 0 BGADHN Cc1nc(CN2CCC[C@@H]2C2CCCC2)c(C)o1 ZINC000659853569 411479032 /nfs/dbraw/zinc/47/90/32/411479032.db2.gz SMOLEGIKTBFFIW-OAHLLOKOSA-N 0 3 248.370 3.446 20 0 BGADHN Cc1occc1CN(C)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000659853857 411344152 /nfs/dbraw/zinc/34/41/52/411344152.db2.gz UOWSEXCFVASPHL-UBSAEIQESA-N 0 3 219.328 3.066 20 0 BGADHN CCOC1CCN([C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000659854149 411478568 /nfs/dbraw/zinc/47/85/68/411478568.db2.gz XQLCOLXHOKNBDK-HZPDHXFCSA-N 0 3 245.366 3.043 20 0 BGADHN Cc1occc1CN(C)CCC1CCC1 ZINC000659854654 411478932 /nfs/dbraw/zinc/47/89/32/411478932.db2.gz YBCJJKCRBDZORQ-UHFFFAOYSA-N 0 3 207.317 3.210 20 0 BGADHN CC[C@H](CC(F)F)CN1C[C@@H](C)OC(C)(C)C1 ZINC000659856148 411478232 /nfs/dbraw/zinc/47/82/32/411478232.db2.gz TZCNKWMYVYSMKD-GHMZBOCLSA-N 0 3 249.345 3.167 20 0 BGADHN CC[C@@H](CC(F)F)CN1C[C@@H](C)OC(C)(C)C1 ZINC000659856149 411478490 /nfs/dbraw/zinc/47/84/90/411478490.db2.gz TZCNKWMYVYSMKD-MNOVXSKESA-N 0 3 249.345 3.167 20 0 BGADHN CC[C@@H](CC(F)F)CN1C[C@H](C)OC(C)(C)C1 ZINC000659856150 411478835 /nfs/dbraw/zinc/47/88/35/411478835.db2.gz TZCNKWMYVYSMKD-QWRGUYRKSA-N 0 3 249.345 3.167 20 0 BGADHN CC[C@H](CC(F)F)CN1C[C@H](C)OC(C)(C)C1 ZINC000659856151 411479042 /nfs/dbraw/zinc/47/90/42/411479042.db2.gz TZCNKWMYVYSMKD-WDEREUQCSA-N 0 3 249.345 3.167 20 0 BGADHN C[C@H](c1ccco1)N(C)CCC1CCC1 ZINC000659856597 411347188 /nfs/dbraw/zinc/34/71/88/411347188.db2.gz FNJGZPVWWKSMGC-LLVKDONJSA-N 0 3 207.317 3.463 20 0 BGADHN C[C@@H](c1ccco1)N(C)CCC1CCC1 ZINC000659856599 411347538 /nfs/dbraw/zinc/34/75/38/411347538.db2.gz FNJGZPVWWKSMGC-NSHDSACASA-N 0 3 207.317 3.463 20 0 BGADHN CCN(Cc1cc(OC)ns1)[C@@H](C)C(C)C ZINC000659856613 411347085 /nfs/dbraw/zinc/34/70/85/411347085.db2.gz FNHFMSGLWPWOKV-JTQLQIEISA-N 0 3 242.388 3.018 20 0 BGADHN CCN(Cc1cc(OC)ns1)[C@H](C)C(C)C ZINC000659856615 411347156 /nfs/dbraw/zinc/34/71/56/411347156.db2.gz FNHFMSGLWPWOKV-SNVBAGLBSA-N 0 3 242.388 3.018 20 0 BGADHN CCN(Cc1cc(C2CC2)no1)[C@H](C)C(C)C ZINC000659856831 411347322 /nfs/dbraw/zinc/34/73/22/411347322.db2.gz HZUQKWJTBFBDTP-LLVKDONJSA-N 0 3 236.359 3.418 20 0 BGADHN CCN(Cc1cc(C2CC2)no1)[C@@H](C)C(C)C ZINC000659856834 411347302 /nfs/dbraw/zinc/34/73/02/411347302.db2.gz HZUQKWJTBFBDTP-NSHDSACASA-N 0 3 236.359 3.418 20 0 BGADHN CO[C@H](CN(C)[C@H](C)c1ccco1)C1CCC1 ZINC000659857123 411346592 /nfs/dbraw/zinc/34/65/92/411346592.db2.gz LBBCJWAHTTWAEA-BXUZGUMPSA-N 0 3 237.343 3.088 20 0 BGADHN CO[C@@H](CN(C)[C@@H](C)c1ccco1)C1CCC1 ZINC000659857133 411347049 /nfs/dbraw/zinc/34/70/49/411347049.db2.gz LBBCJWAHTTWAEA-FZMZJTMJSA-N 0 3 237.343 3.088 20 0 BGADHN CO[C@@H](CN(C)[C@H](C)c1ccco1)C1CCC1 ZINC000659857138 411348821 /nfs/dbraw/zinc/34/88/21/411348821.db2.gz LBBCJWAHTTWAEA-RISCZKNCSA-N 0 3 237.343 3.088 20 0 BGADHN CO[C@H](CN(C)[C@@H](C)c1ccco1)C1CCC1 ZINC000659857143 411349113 /nfs/dbraw/zinc/34/91/13/411349113.db2.gz LBBCJWAHTTWAEA-SMDDNHRTSA-N 0 3 237.343 3.088 20 0 BGADHN COc1cccc(CN(C)CC(C)C)c1Cl ZINC000659857465 411480460 /nfs/dbraw/zinc/48/04/60/411480460.db2.gz NZDQDUXACAPHSU-UHFFFAOYSA-N 0 3 241.762 3.436 20 0 BGADHN CCN(Cc1nc(C)oc1C)[C@@H](C)C(C)C ZINC000659857504 411479696 /nfs/dbraw/zinc/47/96/96/411479696.db2.gz ORISBZYDFXACIP-JTQLQIEISA-N 0 3 224.348 3.158 20 0 BGADHN CCN(Cc1nc(C)oc1C)[C@H](C)C(C)C ZINC000659857505 411479778 /nfs/dbraw/zinc/47/97/78/411479778.db2.gz ORISBZYDFXACIP-SNVBAGLBSA-N 0 3 224.348 3.158 20 0 BGADHN CC(C)[C@@H]1CCCN1Cc1cc(C2CC2)no1 ZINC000659858081 411348214 /nfs/dbraw/zinc/34/82/14/411348214.db2.gz QGDWHMYVRCIAHH-AWEZNQCLSA-N 0 3 234.343 3.172 20 0 BGADHN CC(C)[C@H]1CCCN1Cc1cc(C2CC2)no1 ZINC000659858084 411349131 /nfs/dbraw/zinc/34/91/31/411349131.db2.gz QGDWHMYVRCIAHH-CQSZACIVSA-N 0 3 234.343 3.172 20 0 BGADHN CCCCN(Cc1cn(C)cn1)C1CCCCC1 ZINC000659858097 411348526 /nfs/dbraw/zinc/34/85/26/411348526.db2.gz BOSBXYLIQPUDOX-UHFFFAOYSA-N 0 3 249.402 3.355 20 0 BGADHN C[C@@H]1CCCN(Cc2cc(C3CC3)no2)CC1 ZINC000659858297 411348307 /nfs/dbraw/zinc/34/83/07/411348307.db2.gz UOIDFCFMCWRYCO-LLVKDONJSA-N 0 3 234.343 3.174 20 0 BGADHN C[C@H]1CCCN(Cc2cc(C3CC3)no2)CC1 ZINC000659858298 411348438 /nfs/dbraw/zinc/34/84/38/411348438.db2.gz UOIDFCFMCWRYCO-NSHDSACASA-N 0 3 234.343 3.174 20 0 BGADHN CCCN(Cc1nc(C)oc1C)CC(C)C ZINC000659858593 411350064 /nfs/dbraw/zinc/35/00/64/411350064.db2.gz FXNKYJUSLDXUDF-UHFFFAOYSA-N 0 3 224.348 3.159 20 0 BGADHN Cc1nc(CN(CC(C)C)C2CCCC2)co1 ZINC000659858639 411480369 /nfs/dbraw/zinc/48/03/69/411480369.db2.gz CHRYRALWLRTXER-UHFFFAOYSA-N 0 3 236.359 3.384 20 0 BGADHN CCCN(Cc1cc(OC)ns1)CC(C)C ZINC000659859546 411481803 /nfs/dbraw/zinc/48/18/03/411481803.db2.gz JQIUKKZJJJXMFS-UHFFFAOYSA-N 0 3 242.388 3.020 20 0 BGADHN CCCN(C)Cc1cc(F)ccc1OC(F)F ZINC000659859608 411481217 /nfs/dbraw/zinc/48/12/17/411481217.db2.gz LKIQINLDZIAOCR-UHFFFAOYSA-N 0 3 247.260 3.269 20 0 BGADHN CC(C)CCN(Cc1cn(C)cn1)C1CCCC1 ZINC000659860011 411481281 /nfs/dbraw/zinc/48/12/81/411481281.db2.gz RQXVAZYRTVYTDB-UHFFFAOYSA-N 0 3 249.402 3.211 20 0 BGADHN CCCN(C)Cc1cccc(F)c1OC(F)F ZINC000659860082 411481619 /nfs/dbraw/zinc/48/16/19/411481619.db2.gz SOZOUUKBPTVMCE-UHFFFAOYSA-N 0 3 247.260 3.269 20 0 BGADHN CCCN(Cc1cc(C2CC2)no1)CC(C)C ZINC000659860573 411351081 /nfs/dbraw/zinc/35/10/81/411351081.db2.gz YLIXDUKUGKBNPR-UHFFFAOYSA-N 0 3 236.359 3.420 20 0 BGADHN Cc1nc(CN2CCC[C@@H]2CC(C)(C)C)co1 ZINC000659860676 411481643 /nfs/dbraw/zinc/48/16/43/411481643.db2.gz BEQJTNXQFLHFKK-CYBMUJFWSA-N 0 3 236.359 3.384 20 0 BGADHN Cc1nc(CN2CCC[C@H]2CC(C)(C)C)co1 ZINC000659860677 411481491 /nfs/dbraw/zinc/48/14/91/411481491.db2.gz BEQJTNXQFLHFKK-ZDUSSCGKSA-N 0 3 236.359 3.384 20 0 BGADHN CN(Cc1cc(C2CC2)no1)CC1CCCC1 ZINC000659860774 411481545 /nfs/dbraw/zinc/48/15/45/411481545.db2.gz DXMBJWGYWNIXGP-UHFFFAOYSA-N 0 3 234.343 3.174 20 0 BGADHN CC(C)(C)c1cccc(CN2CCCOCC2)c1 ZINC000659861068 411481036 /nfs/dbraw/zinc/48/10/36/411481036.db2.gz NMZCITGOFMRREX-UHFFFAOYSA-N 0 3 247.382 3.206 20 0 BGADHN CC(C)c1cccc(CN2CCCOCC2)c1 ZINC000659861083 411481453 /nfs/dbraw/zinc/48/14/53/411481453.db2.gz NYRIGUUKQFSSLY-UHFFFAOYSA-N 0 3 233.355 3.032 20 0 BGADHN CN(Cc1cc(C2CC2)no1)C(C1CC1)C1CC1 ZINC000659861456 411352114 /nfs/dbraw/zinc/35/21/14/411352114.db2.gz DDQZWWZFFJBJGH-UHFFFAOYSA-N 0 3 246.354 3.172 20 0 BGADHN CCN(CCC1CCC1)CCC(F)(F)F ZINC000659865462 411483376 /nfs/dbraw/zinc/48/33/76/411483376.db2.gz CCMKVWOOUSIIBB-UHFFFAOYSA-N 0 3 223.282 3.451 20 0 BGADHN C[C@H]1CCN(Cc2nsc3ccccc32)C1 ZINC000659866972 411482215 /nfs/dbraw/zinc/48/22/15/411482215.db2.gz KKDGBKYXGMLYCF-JTQLQIEISA-N 0 3 232.352 3.138 20 0 BGADHN C[C@@H]1CCN(Cc2nsc3ccccc32)C1 ZINC000659867444 411483143 /nfs/dbraw/zinc/48/31/43/411483143.db2.gz KKDGBKYXGMLYCF-SNVBAGLBSA-N 0 3 232.352 3.138 20 0 BGADHN Cc1nc(CN2CCC[C@@H]2CC(C)C)c(C)o1 ZINC000659867714 411483433 /nfs/dbraw/zinc/48/34/33/411483433.db2.gz XDNRGIVWZBKVEX-CYBMUJFWSA-N 0 3 236.359 3.302 20 0 BGADHN Cc1nc(CN2CCC[C@H]2CC(C)C)c(C)o1 ZINC000659867718 411482498 /nfs/dbraw/zinc/48/24/98/411482498.db2.gz XDNRGIVWZBKVEX-ZDUSSCGKSA-N 0 3 236.359 3.302 20 0 BGADHN COc1cccc(CN2CC[C@H](C)C2)c1Cl ZINC000659868472 411354782 /nfs/dbraw/zinc/35/47/82/411354782.db2.gz PRMTYEIKBZHUCC-JTQLQIEISA-N 0 3 239.746 3.190 20 0 BGADHN COc1cccc(CN2CC[C@@H](C)C2)c1Cl ZINC000659868478 411354921 /nfs/dbraw/zinc/35/49/21/411354921.db2.gz PRMTYEIKBZHUCC-SNVBAGLBSA-N 0 3 239.746 3.190 20 0 BGADHN CCC1(C)CCN(Cc2cc(C)nc(C)n2)CC1 ZINC000659868545 411482316 /nfs/dbraw/zinc/48/23/16/411482316.db2.gz QFBUFEPGYJDXSZ-UHFFFAOYSA-N 0 3 247.386 3.106 20 0 BGADHN CCC(CC)N(Cc1cc(C)nc(C)n1)C1CC1 ZINC000659870113 411484345 /nfs/dbraw/zinc/48/43/45/411484345.db2.gz BKLQCFZJVKOXFC-UHFFFAOYSA-N 0 3 247.386 3.246 20 0 BGADHN CCN(CCC1CCC1)Cc1ccoc1 ZINC000659870501 411356287 /nfs/dbraw/zinc/35/62/87/411356287.db2.gz CMBJTKQXBKGVMB-UHFFFAOYSA-N 0 3 207.317 3.292 20 0 BGADHN CCN(CCC=C(C)C)Cc1ccoc1 ZINC000659870767 411356579 /nfs/dbraw/zinc/35/65/79/411356579.db2.gz GSSCWHNKBHYKRI-UHFFFAOYSA-N 0 3 207.317 3.458 20 0 BGADHN CC1(C)CCN(Cc2cc(C3CC3)no2)CC1 ZINC000659870790 411483891 /nfs/dbraw/zinc/48/38/91/411483891.db2.gz HLQLJEKPJJTALZ-UHFFFAOYSA-N 0 3 234.343 3.174 20 0 BGADHN CN(Cc1cnc2ccccc2n1)CC(C)(C)C ZINC000659871147 411355949 /nfs/dbraw/zinc/35/59/49/411355949.db2.gz NTZBNGQXYFLVMP-UHFFFAOYSA-N 0 3 243.354 3.108 20 0 BGADHN CN(Cc1cc(C2CC2)no1)CC(C)(C)C ZINC000659872051 411484308 /nfs/dbraw/zinc/48/43/08/411484308.db2.gz ZHPJVEUMWVMPRN-UHFFFAOYSA-N 0 3 222.332 3.030 20 0 BGADHN Cc1cc(CNC(C)(C)CC(C)(C)C)nc(C)n1 ZINC000659874318 411485669 /nfs/dbraw/zinc/48/56/69/411485669.db2.gz WCVPQLBTBADBTD-UHFFFAOYSA-N 0 3 249.402 3.398 20 0 BGADHN Cc1nc(CNC(C)(C)CC(C)(C)C)co1 ZINC000659874338 411485782 /nfs/dbraw/zinc/48/57/82/411485782.db2.gz WWDKEHCPZLTWRB-UHFFFAOYSA-N 0 3 224.348 3.287 20 0 BGADHN CC[C@@H]1CCCN1Cc1cnc2ccccc2n1 ZINC000659874399 411485444 /nfs/dbraw/zinc/48/54/44/411485444.db2.gz YDQVPBPXRZFCNK-CYBMUJFWSA-N 0 3 241.338 3.004 20 0 BGADHN CC[C@H]1CCCN1Cc1cnc2ccccc2n1 ZINC000659874400 411486303 /nfs/dbraw/zinc/48/63/03/411486303.db2.gz YDQVPBPXRZFCNK-ZDUSSCGKSA-N 0 3 241.338 3.004 20 0 BGADHN CC(C)c1cccc(CN2CCCO[C@@H](C)C2)c1 ZINC000659874609 411358357 /nfs/dbraw/zinc/35/83/57/411358357.db2.gz QIZFAMRNHIPFMD-AWEZNQCLSA-N 0 3 247.382 3.421 20 0 BGADHN CC(C)c1cccc(CN2CCCO[C@H](C)C2)c1 ZINC000659874610 411358827 /nfs/dbraw/zinc/35/88/27/411358827.db2.gz QIZFAMRNHIPFMD-CQSZACIVSA-N 0 3 247.382 3.421 20 0 BGADHN Cc1nc(CN2CCC[C@H]2C2CCC2)c(C)o1 ZINC000659874714 411486341 /nfs/dbraw/zinc/48/63/41/411486341.db2.gz HEUQNTWQFKENFA-AWEZNQCLSA-N 0 3 234.343 3.056 20 0 BGADHN Cc1nc(CN2CCC[C@@H]2C2CCC2)c(C)o1 ZINC000659874715 411485601 /nfs/dbraw/zinc/48/56/01/411485601.db2.gz HEUQNTWQFKENFA-CQSZACIVSA-N 0 3 234.343 3.056 20 0 BGADHN Cc1ccc(CN(C)[C@H]2COC(C)(C)C2)s1 ZINC000659874723 411485773 /nfs/dbraw/zinc/48/57/73/411485773.db2.gz HJYYDKZDGZNDBV-LLVKDONJSA-N 0 3 239.384 3.056 20 0 BGADHN Cc1ccc(CN(C)[C@@H]2COC(C)(C)C2)s1 ZINC000659874724 411486186 /nfs/dbraw/zinc/48/61/86/411486186.db2.gz HJYYDKZDGZNDBV-NSHDSACASA-N 0 3 239.384 3.056 20 0 BGADHN c1c(CN2CCC[C@H]2C2CCC2)onc1C1CC1 ZINC000659875606 411486708 /nfs/dbraw/zinc/48/67/08/411486708.db2.gz OQUWRSRPUPJPAP-HNNXBMFYSA-N 0 3 246.354 3.317 20 0 BGADHN c1c(CN2CCC[C@@H]2C2CCC2)onc1C1CC1 ZINC000659875607 411486824 /nfs/dbraw/zinc/48/68/24/411486824.db2.gz OQUWRSRPUPJPAP-OAHLLOKOSA-N 0 3 246.354 3.317 20 0 BGADHN CCCC(C)(C)NCc1cc(C2CC2)no1 ZINC000659876262 411487338 /nfs/dbraw/zinc/48/73/38/411487338.db2.gz ZSYNZRXJIUSINX-UHFFFAOYSA-N 0 3 222.332 3.220 20 0 BGADHN CC1(C)CCCN1Cc1cnc2ccccc2n1 ZINC000659876465 411359447 /nfs/dbraw/zinc/35/94/47/411359447.db2.gz HKTSKPGLKFTAPK-UHFFFAOYSA-N 0 3 241.338 3.004 20 0 BGADHN CCCN(Cc1cnc2ccccc2n1)C1CC1 ZINC000659878744 411174528 /nfs/dbraw/zinc/17/45/28/411174528.db2.gz NPBONFBQKWVAJG-UHFFFAOYSA-N 0 3 241.338 3.004 20 0 BGADHN Cc1cc(CN2CCC[C@H]2C(C)(C)C)nc(C)n1 ZINC000659879587 411177946 /nfs/dbraw/zinc/17/79/46/411177946.db2.gz DBCBBTLVSDMQMU-AWEZNQCLSA-N 0 3 247.386 3.104 20 0 BGADHN Cc1cc(CN2CCC[C@@H]2C(C)(C)C)nc(C)n1 ZINC000659879590 411177798 /nfs/dbraw/zinc/17/77/98/411177798.db2.gz DBCBBTLVSDMQMU-CQSZACIVSA-N 0 3 247.386 3.104 20 0 BGADHN Cc1nc(CN2CCC[C@@H]2C(C)(C)C)c(C)o1 ZINC000659880707 411180663 /nfs/dbraw/zinc/18/06/63/411180663.db2.gz SOSMJBPOFZYTTQ-CYBMUJFWSA-N 0 3 236.359 3.302 20 0 BGADHN Cc1nc(CN2CCC[C@H]2C(C)(C)C)c(C)o1 ZINC000659880708 411180477 /nfs/dbraw/zinc/18/04/77/411180477.db2.gz SOSMJBPOFZYTTQ-ZDUSSCGKSA-N 0 3 236.359 3.302 20 0 BGADHN c1ccc2c(c1)CN(C[C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC000659903681 411492551 /nfs/dbraw/zinc/49/25/51/411492551.db2.gz JOAZPAPPDJIPFY-SHHSBJBSSA-N 0 3 213.324 3.048 20 0 BGADHN CO[C@@H](CN1Cc2ccccc2C1)C1CCCC1 ZINC000659905013 411493020 /nfs/dbraw/zinc/49/30/20/411493020.db2.gz SEGUAYVPWHOAHV-INIZCTEOSA-N 0 3 245.366 3.207 20 0 BGADHN CO[C@H](CN1Cc2ccccc2C1)C1CCCC1 ZINC000659905018 411492365 /nfs/dbraw/zinc/49/23/65/411492365.db2.gz SEGUAYVPWHOAHV-MRXNPFEDSA-N 0 3 245.366 3.207 20 0 BGADHN c1ccc2c(c1)CN(CCC1CCC1)C2 ZINC000659905160 411379163 /nfs/dbraw/zinc/37/91/63/411379163.db2.gz UUBGOFUGLWSCDZ-UHFFFAOYSA-N 0 3 201.313 3.192 20 0 BGADHN CC(C)=CCCN1Cc2ccccc2C1 ZINC000659905312 411494394 /nfs/dbraw/zinc/49/43/94/411494394.db2.gz VZGXDXOIJQIURV-UHFFFAOYSA-N 0 3 201.313 3.359 20 0 BGADHN c1ccc2c(c1)CN(C[C@@H]1CC[C@H]3C[C@H]3C1)C2 ZINC000659905647 411493512 /nfs/dbraw/zinc/49/35/12/411493512.db2.gz XTCSMGAMBIVVQA-DVOMOZLQSA-N 0 3 227.351 3.438 20 0 BGADHN c1ccc2c(c1)CN(C[C@@H]1CC[C@@H]3C[C@@H]3C1)C2 ZINC000659905649 411494594 /nfs/dbraw/zinc/49/45/94/411494594.db2.gz XTCSMGAMBIVVQA-IOASZLSFSA-N 0 3 227.351 3.438 20 0 BGADHN CC(C)c1cccc(CN(C)[C@H]2CCOC2)c1 ZINC000659907626 411379129 /nfs/dbraw/zinc/37/91/29/411379129.db2.gz KDNILMPDSWYJKM-HNNXBMFYSA-N 0 3 233.355 3.031 20 0 BGADHN CC(C)c1cccc(CN(C)[C@@H]2CCOC2)c1 ZINC000659907627 411379452 /nfs/dbraw/zinc/37/94/52/411379452.db2.gz KDNILMPDSWYJKM-OAHLLOKOSA-N 0 3 233.355 3.031 20 0 BGADHN c1c(CN(C2CC2)C2CCCC2)onc1C1CC1 ZINC000659908316 411379553 /nfs/dbraw/zinc/37/95/53/411379553.db2.gz DWVMJCUUUWBBLI-UHFFFAOYSA-N 0 3 246.354 3.459 20 0 BGADHN Cc1cc(CN(C2CC2)C2CCCC2)nc(C)n1 ZINC000659909329 411495259 /nfs/dbraw/zinc/49/52/59/411495259.db2.gz JTGBYRGXJAQNKE-UHFFFAOYSA-N 0 3 245.370 3.000 20 0 BGADHN CN(Cc1cccc(C(C)(C)C)c1)[C@H]1CCOC1 ZINC000659909950 411380687 /nfs/dbraw/zinc/38/06/87/411380687.db2.gz ZGZMIRGPIRDRIF-HNNXBMFYSA-N 0 3 247.382 3.205 20 0 BGADHN CN(Cc1cccc(C(C)(C)C)c1)[C@@H]1CCOC1 ZINC000659909951 411380707 /nfs/dbraw/zinc/38/07/07/411380707.db2.gz ZGZMIRGPIRDRIF-OAHLLOKOSA-N 0 3 247.382 3.205 20 0 BGADHN CCc1nocc1CN(C1CC1)C1CCCC1 ZINC000659911289 411495708 /nfs/dbraw/zinc/49/57/08/411495708.db2.gz WYFJWFAUYCEHDP-UHFFFAOYSA-N 0 3 234.343 3.144 20 0 BGADHN Cc1ncsc1CN(C)CCC1CCC1 ZINC000659912646 411380918 /nfs/dbraw/zinc/38/09/18/411380918.db2.gz OKOMNNSZHANMML-UHFFFAOYSA-N 0 3 224.373 3.074 20 0 BGADHN C[C@@H]1CCC[C@@H](C)N1Cc1cc(C2CC2)no1 ZINC000659912797 411496913 /nfs/dbraw/zinc/49/69/13/411496913.db2.gz ZQBRYYYPOYWNKY-GHMZBOCLSA-N 0 3 234.343 3.315 20 0 BGADHN C[C@@H]1CCC[C@H](C)N1Cc1cc(C2CC2)no1 ZINC000659912798 411496663 /nfs/dbraw/zinc/49/66/63/411496663.db2.gz ZQBRYYYPOYWNKY-PHIMTYICSA-N 0 3 234.343 3.315 20 0 BGADHN C[C@H]1CCC[C@H](C)N1Cc1cc(C2CC2)no1 ZINC000659912799 411496354 /nfs/dbraw/zinc/49/63/54/411496354.db2.gz ZQBRYYYPOYWNKY-QWRGUYRKSA-N 0 3 234.343 3.315 20 0 BGADHN CC(C)=CCCN(C)Cc1scnc1C ZINC000659912912 411497006 /nfs/dbraw/zinc/49/70/06/411497006.db2.gz PYSNKMWJRFYCJF-UHFFFAOYSA-N 0 3 224.373 3.240 20 0 BGADHN Cc1ncsc1CN(C)CCCC1CCC1 ZINC000659913278 411496654 /nfs/dbraw/zinc/49/66/54/411496654.db2.gz XAZDOVGUQMSEHC-UHFFFAOYSA-N 0 3 238.400 3.464 20 0 BGADHN CC[C@@H](C)CN(C)Cc1cnc2ccccc2n1 ZINC000659915040 411381297 /nfs/dbraw/zinc/38/12/97/411381297.db2.gz DGJUQVJLOGQZNI-GFCCVEGCSA-N 0 3 243.354 3.108 20 0 BGADHN CC[C@H](C)CN(C)Cc1cnc2ccccc2n1 ZINC000659915044 411381354 /nfs/dbraw/zinc/38/13/54/411381354.db2.gz DGJUQVJLOGQZNI-LBPRGKRZSA-N 0 3 243.354 3.108 20 0 BGADHN CC[C@H](CC(F)F)CN1C[C@@H](C)O[C@H](CC)C1 ZINC000659916707 411496809 /nfs/dbraw/zinc/49/68/09/411496809.db2.gz DHOQJTHKKMQRGQ-IJLUTSLNSA-N 0 3 249.345 3.167 20 0 BGADHN CC[C@H](CC(F)F)CN1C[C@@H](CC)O[C@@H](C)C1 ZINC000659916709 411496683 /nfs/dbraw/zinc/49/66/83/411496683.db2.gz DHOQJTHKKMQRGQ-QJPTWQEYSA-N 0 3 249.345 3.167 20 0 BGADHN CC[C@H](CC(F)F)CN1C[C@H](C)O[C@@H](CC)C1 ZINC000659916711 411495808 /nfs/dbraw/zinc/49/58/08/411495808.db2.gz DHOQJTHKKMQRGQ-TUAOUCFPSA-N 0 3 249.345 3.167 20 0 BGADHN CC[C@H](CC(F)F)CN1C[C@@H](C)O[C@@H](CC)C1 ZINC000659916712 411496842 /nfs/dbraw/zinc/49/68/42/411496842.db2.gz DHOQJTHKKMQRGQ-UTUOFQBUSA-N 0 3 249.345 3.167 20 0 BGADHN CC[C@H](C)CN(C)Cc1cc(C2CC2)no1 ZINC000659918459 411381492 /nfs/dbraw/zinc/38/14/92/411381492.db2.gz WTSGUBJAEQQYIX-JTQLQIEISA-N 0 3 222.332 3.030 20 0 BGADHN CC[C@@H](C)CN(C)Cc1cc(C2CC2)no1 ZINC000659918462 411381838 /nfs/dbraw/zinc/38/18/38/411381838.db2.gz WTSGUBJAEQQYIX-SNVBAGLBSA-N 0 3 222.332 3.030 20 0 BGADHN CN(Cc1cc[nH]n1)C[C@H]1CCCCC1(C)C ZINC000659919477 411382242 /nfs/dbraw/zinc/38/22/42/411382242.db2.gz HZFYQNVTJSBRCB-GFCCVEGCSA-N 0 3 235.375 3.058 20 0 BGADHN CN(Cc1cc[nH]n1)C[C@@H]1CCCCC1(C)C ZINC000659919482 411382839 /nfs/dbraw/zinc/38/28/39/411382839.db2.gz HZFYQNVTJSBRCB-LBPRGKRZSA-N 0 3 235.375 3.058 20 0 BGADHN C[C@@H]1CCCCCN1Cc1cc(C2CC2)no1 ZINC000659927335 411384209 /nfs/dbraw/zinc/38/42/09/411384209.db2.gz QHXIOIWNFCFRMF-LLVKDONJSA-N 0 3 234.343 3.317 20 0 BGADHN C[C@H]1CCCCCN1Cc1cc(C2CC2)no1 ZINC000659927337 411383937 /nfs/dbraw/zinc/38/39/37/411383937.db2.gz QHXIOIWNFCFRMF-NSHDSACASA-N 0 3 234.343 3.317 20 0 BGADHN Cc1nc(CN2CCCCC[C@@H]2C)c(C)o1 ZINC000659928921 411502262 /nfs/dbraw/zinc/50/22/62/411502262.db2.gz YGNRRLKMPNBWGB-JTQLQIEISA-N 0 3 222.332 3.056 20 0 BGADHN Cc1nc(CN2CCCCC[C@H]2C)c(C)o1 ZINC000659928922 411501527 /nfs/dbraw/zinc/50/15/27/411501527.db2.gz YGNRRLKMPNBWGB-SNVBAGLBSA-N 0 3 222.332 3.056 20 0 BGADHN Cc1nc(CN2CCCC[C@H]2C(C)C)c(C)o1 ZINC000659934050 411386242 /nfs/dbraw/zinc/38/62/42/411386242.db2.gz AAWUWTPNBNECJR-AWEZNQCLSA-N 0 3 236.359 3.302 20 0 BGADHN Cc1nc(CN2CCCC[C@@H]2C(C)C)c(C)o1 ZINC000659934051 411386153 /nfs/dbraw/zinc/38/61/53/411386153.db2.gz AAWUWTPNBNECJR-CQSZACIVSA-N 0 3 236.359 3.302 20 0 BGADHN CCc1nocc1CN1CCCC[C@H]1C(C)C ZINC000659934484 411386532 /nfs/dbraw/zinc/38/65/32/411386532.db2.gz DQZSKMLNDJVWRM-AWEZNQCLSA-N 0 3 236.359 3.248 20 0 BGADHN CCc1nocc1CN1CCCC[C@@H]1C(C)C ZINC000659934485 411386063 /nfs/dbraw/zinc/38/60/63/411386063.db2.gz DQZSKMLNDJVWRM-CQSZACIVSA-N 0 3 236.359 3.248 20 0 BGADHN Cc1cc(CN2CCCC[C@H]2C(C)C)nc(C)n1 ZINC000659934720 411386006 /nfs/dbraw/zinc/38/60/06/411386006.db2.gz FXNROWVLDIRHFK-HNNXBMFYSA-N 0 3 247.386 3.104 20 0 BGADHN Cc1cc(CN2CCCC[C@@H]2C(C)C)nc(C)n1 ZINC000659934723 411386251 /nfs/dbraw/zinc/38/62/51/411386251.db2.gz FXNROWVLDIRHFK-OAHLLOKOSA-N 0 3 247.386 3.104 20 0 BGADHN CC[C@@H]1CCCN(Cc2nc(C)oc2C)CC1 ZINC000659935169 411502748 /nfs/dbraw/zinc/50/27/48/411502748.db2.gz HHNZQQRIICZFSK-CYBMUJFWSA-N 0 3 236.359 3.304 20 0 BGADHN CC[C@H]1CCCN(Cc2nc(C)oc2C)CC1 ZINC000659935170 411502729 /nfs/dbraw/zinc/50/27/29/411502729.db2.gz HHNZQQRIICZFSK-ZDUSSCGKSA-N 0 3 236.359 3.304 20 0 BGADHN CC[C@H]1CCCN(Cc2cc(C)nc(C)n2)CC1 ZINC000659935271 411386465 /nfs/dbraw/zinc/38/64/65/411386465.db2.gz KPGZRWUUBAFGEY-AWEZNQCLSA-N 0 3 247.386 3.106 20 0 BGADHN CC[C@@H]1CCCN(Cc2cc(C)nc(C)n2)CC1 ZINC000659935272 411385899 /nfs/dbraw/zinc/38/58/99/411385899.db2.gz KPGZRWUUBAFGEY-CQSZACIVSA-N 0 3 247.386 3.106 20 0 BGADHN CC(C)c1cccc(CN(CCCO)C2CC2)c1 ZINC000659936384 411502894 /nfs/dbraw/zinc/50/28/94/411502894.db2.gz RKLYAIDBKBQTGJ-UHFFFAOYSA-N 0 3 247.382 3.157 20 0 BGADHN Cc1ccc([C@H]2CCCN2[C@H]2COC(C)(C)C2)o1 ZINC000659938205 411504391 /nfs/dbraw/zinc/50/43/91/411504391.db2.gz SBFFEZCAILRPOT-CHWSQXEVSA-N 0 3 249.354 3.292 20 0 BGADHN Cc1ccc([C@@H]2CCCN2[C@H]2COC(C)(C)C2)o1 ZINC000659938207 411387221 /nfs/dbraw/zinc/38/72/21/411387221.db2.gz SBFFEZCAILRPOT-OLZOCXBDSA-N 0 3 249.354 3.292 20 0 BGADHN Cc1ccc([C@H]2CCCN2[C@@H]2COC(C)(C)C2)o1 ZINC000659938209 411387200 /nfs/dbraw/zinc/38/72/00/411387200.db2.gz SBFFEZCAILRPOT-QWHCGFSZSA-N 0 3 249.354 3.292 20 0 BGADHN Cc1ccc([C@@H]2CCCN2[C@@H]2COC(C)(C)C2)o1 ZINC000659938210 411387564 /nfs/dbraw/zinc/38/75/64/411387564.db2.gz SBFFEZCAILRPOT-STQMWFEESA-N 0 3 249.354 3.292 20 0 BGADHN CCN(Cc1cnc2ccccc2n1)C1CCC1 ZINC000659938560 411504219 /nfs/dbraw/zinc/50/42/19/411504219.db2.gz AYTMFSPCYCRCOM-UHFFFAOYSA-N 0 3 241.338 3.004 20 0 BGADHN CCO[C@H]1CCCN([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000659941355 411504402 /nfs/dbraw/zinc/50/44/02/411504402.db2.gz XAUBEBALMPKGTE-ARFHVFGLSA-N 0 3 245.366 3.043 20 0 BGADHN CC(C)C[C@@H]1CCCCCN1Cc1cn(C)cn1 ZINC000659947061 411507499 /nfs/dbraw/zinc/50/74/99/411507499.db2.gz JQEWQDABHRSOPU-HNNXBMFYSA-N 0 3 249.402 3.211 20 0 BGADHN CC(C)C[C@H]1CCCCCN1Cc1cn(C)cn1 ZINC000659947064 411506653 /nfs/dbraw/zinc/50/66/53/411506653.db2.gz JQEWQDABHRSOPU-OAHLLOKOSA-N 0 3 249.402 3.211 20 0 BGADHN CC[C@@H]1CCCCCN1Cc1nc(C)oc1C ZINC000659947107 488023901 /nfs/dbraw/zinc/02/39/01/488023901.db2.gz JDIWGWYSRMNTNP-CYBMUJFWSA-N 0 3 236.359 3.446 20 0 BGADHN CC[C@H]1CCCCCN1Cc1nc(C)oc1C ZINC000659947117 488023789 /nfs/dbraw/zinc/02/37/89/488023789.db2.gz JDIWGWYSRMNTNP-ZDUSSCGKSA-N 0 3 236.359 3.446 20 0 BGADHN CC[C@@H]1CCCCCN1Cc1coc(C)n1 ZINC000659948080 411508591 /nfs/dbraw/zinc/50/85/91/411508591.db2.gz OUALRRHYEPULMK-CYBMUJFWSA-N 0 3 222.332 3.138 20 0 BGADHN CC[C@H]1CCCCCN1Cc1coc(C)n1 ZINC000659948081 411507899 /nfs/dbraw/zinc/50/78/99/411507899.db2.gz OUALRRHYEPULMK-ZDUSSCGKSA-N 0 3 222.332 3.138 20 0 BGADHN C[C@@H]1CCCN(Cc2cc(C3CC3)no2)[C@@H]1C ZINC000659951079 488034823 /nfs/dbraw/zinc/03/48/23/488034823.db2.gz VHMYSSUKANBOLC-GHMZBOCLSA-N 0 3 234.343 3.172 20 0 BGADHN C[C@@H]1CCCN(Cc2cc(C3CC3)no2)[C@H]1C ZINC000659951080 488034631 /nfs/dbraw/zinc/03/46/31/488034631.db2.gz VHMYSSUKANBOLC-MNOVXSKESA-N 0 3 234.343 3.172 20 0 BGADHN C[C@H]1CCCN(Cc2cc(C3CC3)no2)[C@H]1C ZINC000659951081 488034605 /nfs/dbraw/zinc/03/46/05/488034605.db2.gz VHMYSSUKANBOLC-QWRGUYRKSA-N 0 3 234.343 3.172 20 0 BGADHN C[C@@H]1[C@@H](C)CCCN1Cc1cc(C2CC2)no1 ZINC000659951082 488034436 /nfs/dbraw/zinc/03/44/36/488034436.db2.gz VHMYSSUKANBOLC-WDEREUQCSA-N 0 3 234.343 3.172 20 0 BGADHN Cc1nc(CN2C[C@H](C)CCC[C@H]2C)c(C)o1 ZINC000659951315 411509724 /nfs/dbraw/zinc/50/97/24/411509724.db2.gz FBJVCMIUXHXVOB-GHMZBOCLSA-N 0 3 236.359 3.302 20 0 BGADHN Cc1nc(CN2C[C@H](C)CCC[C@@H]2C)c(C)o1 ZINC000659951317 411509869 /nfs/dbraw/zinc/50/98/69/411509869.db2.gz FBJVCMIUXHXVOB-MNOVXSKESA-N 0 3 236.359 3.302 20 0 BGADHN Cc1nc(CN2C[C@@H](C)CCC[C@@H]2C)c(C)o1 ZINC000659951321 411510160 /nfs/dbraw/zinc/51/01/60/411510160.db2.gz FBJVCMIUXHXVOB-QWRGUYRKSA-N 0 3 236.359 3.302 20 0 BGADHN Cc1nc(CN2C[C@@H](C)CCC[C@H]2C)c(C)o1 ZINC000659951324 411510017 /nfs/dbraw/zinc/51/00/17/411510017.db2.gz FBJVCMIUXHXVOB-WDEREUQCSA-N 0 3 236.359 3.302 20 0 BGADHN CC[C@@H](C)[C@H]1CCCCN1Cc1coc(C)n1 ZINC000659951382 411509352 /nfs/dbraw/zinc/50/93/52/411509352.db2.gz MFZDXXIVNXNXDR-BXUZGUMPSA-N 0 3 236.359 3.384 20 0 BGADHN CC[C@H](C)[C@@H]1CCCCN1Cc1coc(C)n1 ZINC000659951384 411509160 /nfs/dbraw/zinc/50/91/60/411509160.db2.gz MFZDXXIVNXNXDR-FZMZJTMJSA-N 0 3 236.359 3.384 20 0 BGADHN CC[C@@H](C)[C@@H]1CCCCN1Cc1coc(C)n1 ZINC000659951385 411510233 /nfs/dbraw/zinc/51/02/33/411510233.db2.gz MFZDXXIVNXNXDR-RISCZKNCSA-N 0 3 236.359 3.384 20 0 BGADHN CC[C@H](C)[C@H]1CCCCN1Cc1coc(C)n1 ZINC000659951387 411509172 /nfs/dbraw/zinc/50/91/72/411509172.db2.gz MFZDXXIVNXNXDR-SMDDNHRTSA-N 0 3 236.359 3.384 20 0 BGADHN Cc1nc(CN2CCC3(C2)CCCCC3)c(C)o1 ZINC000659954741 411511174 /nfs/dbraw/zinc/51/11/74/411511174.db2.gz BCIIRDILAHHNIG-UHFFFAOYSA-N 0 3 248.370 3.448 20 0 BGADHN Cc1nc(CN2CCCC(C)(C)CC2)c(C)o1 ZINC000659954899 411511012 /nfs/dbraw/zinc/51/10/12/411511012.db2.gz MSOFZBWNIWBGNV-UHFFFAOYSA-N 0 3 236.359 3.304 20 0 BGADHN c1c(CN2CCC[C@H]3CCC[C@@H]32)onc1C1CC1 ZINC000659955272 411511051 /nfs/dbraw/zinc/51/10/51/411511051.db2.gz JXRQYDNZIAIUCD-DOMZBBRYSA-N 0 3 246.354 3.317 20 0 BGADHN c1c(CN2CCC[C@H]3CCC[C@H]32)onc1C1CC1 ZINC000659955273 411511251 /nfs/dbraw/zinc/51/12/51/411511251.db2.gz JXRQYDNZIAIUCD-IUODEOHRSA-N 0 3 246.354 3.317 20 0 BGADHN c1c(CN2CCC[C@@H]3CCC[C@H]32)onc1C1CC1 ZINC000659955274 411511153 /nfs/dbraw/zinc/51/11/53/411511153.db2.gz JXRQYDNZIAIUCD-SWLSCSKDSA-N 0 3 246.354 3.317 20 0 BGADHN c1c(CN2CCC[C@@H]3CCC[C@@H]32)onc1C1CC1 ZINC000659955275 411398073 /nfs/dbraw/zinc/39/80/73/411398073.db2.gz JXRQYDNZIAIUCD-WFASDCNBSA-N 0 3 246.354 3.317 20 0 BGADHN Cc1nc(CN2CCC[C@@H]3CCC[C@H]32)c(C)o1 ZINC000659955465 411510893 /nfs/dbraw/zinc/51/08/93/411510893.db2.gz LGLXEIPTLKFDDB-GXTWGEPZSA-N 0 3 234.343 3.056 20 0 BGADHN Cc1nc(CN2CCC[C@@H]3CCC[C@@H]32)c(C)o1 ZINC000659955466 411510782 /nfs/dbraw/zinc/51/07/82/411510782.db2.gz LGLXEIPTLKFDDB-JSGCOSHPSA-N 0 3 234.343 3.056 20 0 BGADHN Cc1nc(CN2CCC[C@H]3CCC[C@@H]32)c(C)o1 ZINC000659955467 411511018 /nfs/dbraw/zinc/51/10/18/411511018.db2.gz LGLXEIPTLKFDDB-OCCSQVGLSA-N 0 3 234.343 3.056 20 0 BGADHN Cc1nc(CN2CCC[C@H]3CCC[C@H]32)c(C)o1 ZINC000659955468 411510988 /nfs/dbraw/zinc/51/09/88/411510988.db2.gz LGLXEIPTLKFDDB-TZMCWYRMSA-N 0 3 234.343 3.056 20 0 BGADHN Cc1cc(CN2CCCC(C)(C)CC2)nc(C)n1 ZINC000659955923 411510996 /nfs/dbraw/zinc/51/09/96/411510996.db2.gz VEFKKJNWJMFRKL-UHFFFAOYSA-N 0 3 247.386 3.106 20 0 BGADHN CC(C)c1cccc(CN(C)CC[C@@H](C)O)c1 ZINC000659956936 411399346 /nfs/dbraw/zinc/39/93/46/411399346.db2.gz WMVIYMCKAONXFC-CYBMUJFWSA-N 0 3 235.371 3.013 20 0 BGADHN CC(C)c1cccc(CN(C)CC[C@H](C)O)c1 ZINC000659956937 411399398 /nfs/dbraw/zinc/39/93/98/411399398.db2.gz WMVIYMCKAONXFC-ZDUSSCGKSA-N 0 3 235.371 3.013 20 0 BGADHN Cc1cc(CN2C3CCCC2CCC3)nc(C)n1 ZINC000659957104 411512137 /nfs/dbraw/zinc/51/21/37/411512137.db2.gz OUYWVDZJZYBQKD-UHFFFAOYSA-N 0 3 245.370 3.000 20 0 BGADHN C[C@@H](O)CCN(C)Cc1cccc(C(C)(C)C)c1 ZINC000659957107 411512092 /nfs/dbraw/zinc/51/20/92/411512092.db2.gz OVWZWWZYYLVCKE-CYBMUJFWSA-N 0 3 249.398 3.187 20 0 BGADHN C[C@H](O)CCN(C)Cc1cccc(C(C)(C)C)c1 ZINC000659957108 411511848 /nfs/dbraw/zinc/51/18/48/411511848.db2.gz OVWZWWZYYLVCKE-ZDUSSCGKSA-N 0 3 249.398 3.187 20 0 BGADHN c1c(CN2C3CCCC2CCC3)onc1C1CC1 ZINC000659957714 411400091 /nfs/dbraw/zinc/40/00/91/411400091.db2.gz XECKKCWOGPSFEO-UHFFFAOYSA-N 0 3 246.354 3.459 20 0 BGADHN Cc1nc(CN2[C@H](C)C[C@@H]3CCCC[C@@H]32)c(C)o1 ZINC000659959651 411512429 /nfs/dbraw/zinc/51/24/29/411512429.db2.gz WMSUIEFUIHPAPW-DGFSRKRXSA-N 0 3 248.370 3.444 20 0 BGADHN Cc1nc(CN2[C@H](C)C[C@@H]3CCCC[C@H]32)c(C)o1 ZINC000659959655 411511990 /nfs/dbraw/zinc/51/19/90/411511990.db2.gz WMSUIEFUIHPAPW-RIEGTJTDSA-N 0 3 248.370 3.444 20 0 BGADHN Cc1nc(CN2[C@H](C)C[C@H]3CCCC[C@H]32)c(C)o1 ZINC000659959657 411512793 /nfs/dbraw/zinc/51/27/93/411512793.db2.gz WMSUIEFUIHPAPW-WDBKCZKBSA-N 0 3 248.370 3.444 20 0 BGADHN Cc1nc(CN2[C@H](C)C[C@H]3CCCC[C@@H]32)c(C)o1 ZINC000659959660 411512516 /nfs/dbraw/zinc/51/25/16/411512516.db2.gz WMSUIEFUIHPAPW-YVLXSGLVSA-N 0 3 248.370 3.444 20 0 BGADHN C[C@@H]1CN([C@@H]2C[C@@H]2c2ccccc2)C[C@H](C)S1 ZINC000659960695 411512470 /nfs/dbraw/zinc/51/24/70/411512470.db2.gz NFDFVYWSZDYOMB-AYRXBEOTSA-N 0 3 247.407 3.368 20 0 BGADHN C[C@H]1CN([C@@H]2C[C@@H]2c2ccccc2)C[C@H](C)S1 ZINC000659960696 411511802 /nfs/dbraw/zinc/51/18/02/411511802.db2.gz NFDFVYWSZDYOMB-DDHJSBNISA-N 0 3 247.407 3.368 20 0 BGADHN C[C@@H]1CN([C@@H]2C[C@@H]2c2ccccc2)C[C@@H](C)S1 ZINC000659960697 411511986 /nfs/dbraw/zinc/51/19/86/411511986.db2.gz NFDFVYWSZDYOMB-QHSBEEBCSA-N 0 3 247.407 3.368 20 0 BGADHN C1=CCC(CN2CCOC[C@H]2c2ccccc2)C1 ZINC000659969200 411513852 /nfs/dbraw/zinc/51/38/52/411513852.db2.gz DDUXEHJHOPLQLY-INIZCTEOSA-N 0 3 243.350 3.026 20 0 BGADHN C1=CCC(CN2CCOC[C@@H]2c2ccccc2)C1 ZINC000659969201 411403515 /nfs/dbraw/zinc/40/35/15/411403515.db2.gz DDUXEHJHOPLQLY-MRXNPFEDSA-N 0 3 243.350 3.026 20 0 BGADHN C[C@@H]1CC[C@@H](C)N(Cc2cc(C3CC3)no2)C1 ZINC000659969584 411151086 /nfs/dbraw/zinc/15/10/86/411151086.db2.gz COJHOSXAPIUTJA-GHMZBOCLSA-N 0 3 234.343 3.172 20 0 BGADHN C[C@@H]1CC[C@H](C)N(Cc2cc(C3CC3)no2)C1 ZINC000659969586 411151311 /nfs/dbraw/zinc/15/13/11/411151311.db2.gz COJHOSXAPIUTJA-MNOVXSKESA-N 0 3 234.343 3.172 20 0 BGADHN C[C@H]1CC[C@H](C)N(Cc2cc(C3CC3)no2)C1 ZINC000659969588 411151188 /nfs/dbraw/zinc/15/11/88/411151188.db2.gz COJHOSXAPIUTJA-QWRGUYRKSA-N 0 3 234.343 3.172 20 0 BGADHN C[C@@H]1CC[C@H](C)CN1Cc1cc(C2CC2)no1 ZINC000659969590 411151179 /nfs/dbraw/zinc/15/11/79/411151179.db2.gz COJHOSXAPIUTJA-WDEREUQCSA-N 0 3 234.343 3.172 20 0 BGADHN CSc1cccc(CN2CCC[C@H]2C)c1 ZINC000659970815 411151455 /nfs/dbraw/zinc/15/14/55/411151455.db2.gz MQEBEOYRWBFKHJ-LLVKDONJSA-N 0 3 221.369 3.393 20 0 BGADHN CSc1cccc(CN2CCC[C@@H]2C)c1 ZINC000659971088 411151126 /nfs/dbraw/zinc/15/11/26/411151126.db2.gz MQEBEOYRWBFKHJ-NSHDSACASA-N 0 3 221.369 3.393 20 0 BGADHN COc1cccc(CN2CCC[C@@H]2C)c1Cl ZINC000659971191 411151278 /nfs/dbraw/zinc/15/12/78/411151278.db2.gz NVANJQRKELIJMZ-JTQLQIEISA-N 0 3 239.746 3.333 20 0 BGADHN COc1cccc(CN2CCC[C@H]2C)c1Cl ZINC000659971193 411151098 /nfs/dbraw/zinc/15/10/98/411151098.db2.gz NVANJQRKELIJMZ-SNVBAGLBSA-N 0 3 239.746 3.333 20 0 BGADHN C[C@H]1CCCN1Cc1nsc2ccccc21 ZINC000659972436 411151594 /nfs/dbraw/zinc/15/15/94/411151594.db2.gz VDPGKRIKWZQFMH-JTQLQIEISA-N 0 3 232.352 3.281 20 0 BGADHN C[C@@H]1CCCN1Cc1nsc2ccccc21 ZINC000659972437 411151619 /nfs/dbraw/zinc/15/16/19/411151619.db2.gz VDPGKRIKWZQFMH-SNVBAGLBSA-N 0 3 232.352 3.281 20 0 BGADHN C[C@@H]1CN(Cc2nsc3ccccc32)C[C@H]1C ZINC000659972651 411514636 /nfs/dbraw/zinc/51/46/36/411514636.db2.gz WSVKQWQPRPQOLB-GHMZBOCLSA-N 0 3 246.379 3.384 20 0 BGADHN C[C@H]1CN(Cc2nsc3ccccc32)C[C@H]1C ZINC000659972652 411151934 /nfs/dbraw/zinc/15/19/34/411151934.db2.gz WSVKQWQPRPQOLB-PHIMTYICSA-N 0 3 246.379 3.384 20 0 BGADHN C[C@H]1CN(Cc2nsc3ccccc32)C[C@@H]1C ZINC000659972653 411151581 /nfs/dbraw/zinc/15/15/81/411151581.db2.gz WSVKQWQPRPQOLB-QWRGUYRKSA-N 0 3 246.379 3.384 20 0 BGADHN Cc1nc(CN2CC[C@H](CC(C)C)C2)c(C)o1 ZINC000659973963 411515167 /nfs/dbraw/zinc/51/51/67/411515167.db2.gz BLBZRAFZOSTFQI-CYBMUJFWSA-N 0 3 236.359 3.159 20 0 BGADHN Cc1nc(CN2CC[C@@H](CC(C)C)C2)c(C)o1 ZINC000659973964 411514724 /nfs/dbraw/zinc/51/47/24/411514724.db2.gz BLBZRAFZOSTFQI-ZDUSSCGKSA-N 0 3 236.359 3.159 20 0 BGADHN CC[C@@H]1C[C@H](C)CN1Cc1cc(C2CC2)no1 ZINC000659974126 411515415 /nfs/dbraw/zinc/51/54/15/411515415.db2.gz LBZRFEGWQZBJEJ-CMPLNLGQSA-N 0 3 234.343 3.172 20 0 BGADHN CC[C@H]1C[C@H](C)CN1Cc1cc(C2CC2)no1 ZINC000659974128 411515493 /nfs/dbraw/zinc/51/54/93/411515493.db2.gz LBZRFEGWQZBJEJ-JQWIXIFHSA-N 0 3 234.343 3.172 20 0 BGADHN CC[C@H]1C[C@@H](C)CN1Cc1cc(C2CC2)no1 ZINC000659974130 411515589 /nfs/dbraw/zinc/51/55/89/411515589.db2.gz LBZRFEGWQZBJEJ-PWSUYJOCSA-N 0 3 234.343 3.172 20 0 BGADHN CC[C@@H]1C[C@@H](C)CN1Cc1cc(C2CC2)no1 ZINC000659974131 411514511 /nfs/dbraw/zinc/51/45/11/411514511.db2.gz LBZRFEGWQZBJEJ-ZYHUDNBSSA-N 0 3 234.343 3.172 20 0 BGADHN CC[C@@]1(C)CCCN(Cc2cc(C)nc(C)n2)C1 ZINC000659974218 411152095 /nfs/dbraw/zinc/15/20/95/411152095.db2.gz GJJKKOIDLZTXIY-HNNXBMFYSA-N 0 3 247.386 3.106 20 0 BGADHN CC[C@]1(C)CCCN(Cc2cc(C)nc(C)n2)C1 ZINC000659974219 411151802 /nfs/dbraw/zinc/15/18/02/411151802.db2.gz GJJKKOIDLZTXIY-OAHLLOKOSA-N 0 3 247.386 3.106 20 0 BGADHN CC(C)C[C@H]1CCN(Cc2cc(C3CC3)no2)C1 ZINC000659975396 411517084 /nfs/dbraw/zinc/51/70/84/411517084.db2.gz OAPDDDHYEIIKTM-GFCCVEGCSA-N 0 3 248.370 3.420 20 0 BGADHN CC(C)C[C@@H]1CCN(Cc2cc(C3CC3)no2)C1 ZINC000659975397 411152944 /nfs/dbraw/zinc/15/29/44/411152944.db2.gz OAPDDDHYEIIKTM-LBPRGKRZSA-N 0 3 248.370 3.420 20 0 BGADHN CO[C@H](CN1Cc2ccccc2[C@H]1C)C1CCC1 ZINC000659977726 411152950 /nfs/dbraw/zinc/15/29/50/411152950.db2.gz VQTLNMZXCFWLCV-MLGOLLRUSA-N 0 3 245.366 3.378 20 0 BGADHN CO[C@@H](CN1Cc2ccccc2[C@H]1C)C1CCC1 ZINC000659977727 411152901 /nfs/dbraw/zinc/15/29/01/411152901.db2.gz VQTLNMZXCFWLCV-WBMJQRKESA-N 0 3 245.366 3.378 20 0 BGADHN CC(C)=CCCN(C)Cc1cccc(O)c1 ZINC000659983029 411156103 /nfs/dbraw/zinc/15/61/03/411156103.db2.gz BVAXBCQDGBMMMF-UHFFFAOYSA-N 0 3 219.328 3.180 20 0 BGADHN CN(CCCC1CCC1)Cc1cccc(O)c1 ZINC000659983576 411155929 /nfs/dbraw/zinc/15/59/29/411155929.db2.gz QGQUHGPWTMNQEA-UHFFFAOYSA-N 0 3 233.355 3.404 20 0 BGADHN CN(CCC1CCC1)Cc1cccc(O)c1 ZINC000659983817 411154855 /nfs/dbraw/zinc/15/48/55/411154855.db2.gz WHFXTBTZOWILSZ-UHFFFAOYSA-N 0 3 219.328 3.014 20 0 BGADHN CC[C@@H](C)CN(CC)Cc1cc(C2CC2)no1 ZINC000659984397 411520176 /nfs/dbraw/zinc/52/01/76/411520176.db2.gz JTSIEYHNLZEROF-LLVKDONJSA-N 0 3 236.359 3.420 20 0 BGADHN CC[C@H](C)CN(CC)Cc1cc(C2CC2)no1 ZINC000659984398 411519322 /nfs/dbraw/zinc/51/93/22/411519322.db2.gz JTSIEYHNLZEROF-NSHDSACASA-N 0 3 236.359 3.420 20 0 BGADHN CC[C@H](C)CN(CC)Cc1cc(OC)ns1 ZINC000659984428 411155421 /nfs/dbraw/zinc/15/54/21/411155421.db2.gz KNCAWWRTAQGXEF-JTQLQIEISA-N 0 3 242.388 3.020 20 0 BGADHN CC[C@@H](C)CN(CC)Cc1cc(OC)ns1 ZINC000659984429 411155904 /nfs/dbraw/zinc/15/59/04/411155904.db2.gz KNCAWWRTAQGXEF-SNVBAGLBSA-N 0 3 242.388 3.020 20 0 BGADHN CC1(C)C[C@H](N2CC[C@H]2c2ccccc2)CO1 ZINC000659985143 411520094 /nfs/dbraw/zinc/52/00/94/411520094.db2.gz CPAXAEHVBBCFRI-KBPBESRZSA-N 0 3 231.339 3.001 20 0 BGADHN CC1(C)C[C@@H](N2CC[C@H]2c2ccccc2)CO1 ZINC000659985144 411520159 /nfs/dbraw/zinc/52/01/59/411520159.db2.gz CPAXAEHVBBCFRI-KGLIPLIRSA-N 0 3 231.339 3.001 20 0 BGADHN CC1(C)C[C@H](N2CC[C@@H]2c2ccccc2)CO1 ZINC000659985145 411519347 /nfs/dbraw/zinc/51/93/47/411519347.db2.gz CPAXAEHVBBCFRI-UONOGXRCSA-N 0 3 231.339 3.001 20 0 BGADHN CC1(C)C[C@@H](N2CC[C@@H]2c2ccccc2)CO1 ZINC000659985146 411155207 /nfs/dbraw/zinc/15/52/07/411155207.db2.gz CPAXAEHVBBCFRI-ZIAGYGMSSA-N 0 3 231.339 3.001 20 0 BGADHN CO[C@@H](CN1CC[C@@H]1c1ccccc1)C1CCC1 ZINC000659986010 411156641 /nfs/dbraw/zinc/15/66/41/411156641.db2.gz VAJGWEXZAUBAHF-CVEARBPZSA-N 0 3 245.366 3.249 20 0 BGADHN CO[C@@H](CN1CC[C@H]1c1ccccc1)C1CCC1 ZINC000659986015 411156809 /nfs/dbraw/zinc/15/68/09/411156809.db2.gz VAJGWEXZAUBAHF-HOTGVXAUSA-N 0 3 245.366 3.249 20 0 BGADHN CO[C@H](CN1CC[C@@H]1c1ccccc1)C1CCC1 ZINC000659986019 411157633 /nfs/dbraw/zinc/15/76/33/411157633.db2.gz VAJGWEXZAUBAHF-HZPDHXFCSA-N 0 3 245.366 3.249 20 0 BGADHN CO[C@H](CN1CC[C@H]1c1ccccc1)C1CCC1 ZINC000659986022 411156783 /nfs/dbraw/zinc/15/67/83/411156783.db2.gz VAJGWEXZAUBAHF-JKSUJKDBSA-N 0 3 245.366 3.249 20 0 BGADHN CO[C@H]1CCN(Cc2cccc(C(C)C)c2)C1 ZINC000659986542 411520692 /nfs/dbraw/zinc/52/06/92/411520692.db2.gz NKRBLKSWVZUMMW-HNNXBMFYSA-N 0 3 233.355 3.031 20 0 BGADHN C[C@@H]1CN([C@H]2COC(C)(C)C2)[C@H]1c1ccccc1 ZINC000659986608 411521356 /nfs/dbraw/zinc/52/13/56/411521356.db2.gz OZHBTZVTFFTZAS-BPLDGKMQSA-N 0 3 245.366 3.247 20 0 BGADHN C[C@@H]1CN([C@@H]2COC(C)(C)C2)[C@@H]1c1ccccc1 ZINC000659986610 411521686 /nfs/dbraw/zinc/52/16/86/411521686.db2.gz OZHBTZVTFFTZAS-SNPRPXQTSA-N 0 3 245.366 3.247 20 0 BGADHN C[C@@H]1CN([C@@H]2COC(C)(C)C2)[C@H]1c1ccccc1 ZINC000659986612 411156483 /nfs/dbraw/zinc/15/64/83/411156483.db2.gz OZHBTZVTFFTZAS-VHDGCEQUSA-N 0 3 245.366 3.247 20 0 BGADHN C[C@@H]1CN([C@H]2COC(C)(C)C2)[C@@H]1c1ccccc1 ZINC000659986617 411157747 /nfs/dbraw/zinc/15/77/47/411157747.db2.gz OZHBTZVTFFTZAS-YUELXQCFSA-N 0 3 245.366 3.247 20 0 BGADHN C[C@@H]1C[C@H](N2CC[C@H]2c2cccc(F)c2)CCO1 ZINC000659987040 411156526 /nfs/dbraw/zinc/15/65/26/411156526.db2.gz UPYSBDMHZZCPGM-DFBGVHRSSA-N 0 3 249.329 3.140 20 0 BGADHN C[C@@H]1C[C@H](N2CC[C@@H]2c2cccc(F)c2)CCO1 ZINC000659987041 411157577 /nfs/dbraw/zinc/15/75/77/411157577.db2.gz UPYSBDMHZZCPGM-KCPJHIHWSA-N 0 3 249.329 3.140 20 0 BGADHN CN(Cc1cnccn1)C[C@H]1CCCCC1(C)C ZINC000659991072 411521009 /nfs/dbraw/zinc/52/10/09/411521009.db2.gz KHBXNNRKZGBEDU-CYBMUJFWSA-N 0 3 247.386 3.125 20 0 BGADHN CN(Cc1cnccn1)C[C@@H]1CCCCC1(C)C ZINC000659991073 411158246 /nfs/dbraw/zinc/15/82/46/411158246.db2.gz KHBXNNRKZGBEDU-ZDUSSCGKSA-N 0 3 247.386 3.125 20 0 BGADHN CC(C)c1cccc(CN(C)C[C@H](O)C2CC2)c1 ZINC000659991988 411158764 /nfs/dbraw/zinc/15/87/64/411158764.db2.gz AENNGEHEYXSPNP-INIZCTEOSA-N 0 3 247.382 3.013 20 0 BGADHN CC(C)c1cccc(CN(C)C[C@@H](O)C2CC2)c1 ZINC000659991992 411158434 /nfs/dbraw/zinc/15/84/34/411158434.db2.gz AENNGEHEYXSPNP-MRXNPFEDSA-N 0 3 247.382 3.013 20 0 BGADHN C1=CCC(CN2CCS[C@H]3CCCC[C@@H]32)C1 ZINC000659993778 488126331 /nfs/dbraw/zinc/12/63/31/488126331.db2.gz NQIJWDVUMRJDOV-KBPBESRZSA-N 0 3 237.412 3.313 20 0 BGADHN C1=CCC(CN2CCS[C@H]3CCCC[C@H]32)C1 ZINC000659993780 488126227 /nfs/dbraw/zinc/12/62/27/488126227.db2.gz NQIJWDVUMRJDOV-KGLIPLIRSA-N 0 3 237.412 3.313 20 0 BGADHN C1=CCC(CN2CCS[C@@H]3CCCC[C@@H]32)C1 ZINC000659993785 488126454 /nfs/dbraw/zinc/12/64/54/488126454.db2.gz NQIJWDVUMRJDOV-UONOGXRCSA-N 0 3 237.412 3.313 20 0 BGADHN C1=CCC(CN2CCS[C@@H]3CCCC[C@H]32)C1 ZINC000659993787 488126103 /nfs/dbraw/zinc/12/61/03/488126103.db2.gz NQIJWDVUMRJDOV-ZIAGYGMSSA-N 0 3 237.412 3.313 20 0 BGADHN C[C@H](N(C)Cc1cc(C2CC2)no1)C1(C)CC1 ZINC000659994052 411522445 /nfs/dbraw/zinc/52/24/45/411522445.db2.gz PDRAGUNIHFGJFV-JTQLQIEISA-N 0 3 234.343 3.172 20 0 BGADHN C[C@@H](N(C)Cc1cc(C2CC2)no1)C1(C)CC1 ZINC000659994053 411522249 /nfs/dbraw/zinc/52/22/49/411522249.db2.gz PDRAGUNIHFGJFV-SNVBAGLBSA-N 0 3 234.343 3.172 20 0 BGADHN COc1ccc(CN(C)CCC2CCC2)cc1O ZINC000659995596 411160695 /nfs/dbraw/zinc/16/06/95/411160695.db2.gz FLYIHVGKGAEXLD-UHFFFAOYSA-N 0 3 249.354 3.023 20 0 BGADHN CC(C)[C@@H]1CCN(Cc2cc(C3CC3)no2)C1 ZINC000659996565 411523778 /nfs/dbraw/zinc/52/37/78/411523778.db2.gz MAYQHFFHHUNFGR-GFCCVEGCSA-N 0 3 234.343 3.030 20 0 BGADHN CC(C)[C@H]1CCN(Cc2cc(C3CC3)no2)C1 ZINC000659996567 411523572 /nfs/dbraw/zinc/52/35/72/411523572.db2.gz MAYQHFFHHUNFGR-LBPRGKRZSA-N 0 3 234.343 3.030 20 0 BGADHN CCC1(CC)CCN(Cc2cc(C)nc(C)n2)C1 ZINC000659996927 411523975 /nfs/dbraw/zinc/52/39/75/411523975.db2.gz PTQFRSJXJAFAIB-UHFFFAOYSA-N 0 3 247.386 3.106 20 0 BGADHN CCC1(CC)CCN(Cc2nc(C)oc2C)C1 ZINC000659996930 411524361 /nfs/dbraw/zinc/52/43/61/411524361.db2.gz PWNLSBOEBFJQTG-UHFFFAOYSA-N 0 3 236.359 3.304 20 0 BGADHN COc1ccc(CN(C)CCC=C(C)C)cc1O ZINC000659998120 411162425 /nfs/dbraw/zinc/16/24/25/411162425.db2.gz XWQMACCDJMTNEX-UHFFFAOYSA-N 0 3 249.354 3.189 20 0 BGADHN CCN(CCCC1CCC1)Cc1ccccn1 ZINC000659999466 411525445 /nfs/dbraw/zinc/52/54/45/411525445.db2.gz AFTBGRZIBVLYMR-UHFFFAOYSA-N 0 3 232.371 3.484 20 0 BGADHN CC(C)=CCCN(C)Cc1cc(Cl)cn1C ZINC000659999725 411524768 /nfs/dbraw/zinc/52/47/68/411524768.db2.gz FPAAQRLJBSWKCE-UHFFFAOYSA-N 0 3 240.778 3.467 20 0 BGADHN CN(Cc1cc(Cl)cn1C)CC1CC=CC1 ZINC000660000160 411524797 /nfs/dbraw/zinc/52/47/97/411524797.db2.gz ORRRCEKMVOLPMO-UHFFFAOYSA-N 0 3 238.762 3.077 20 0 BGADHN CC[C@@]1(C)CCN(Cc2cc(C3CC3)no2)C1 ZINC000660000273 411525180 /nfs/dbraw/zinc/52/51/80/411525180.db2.gz SDHBQKISUQHMBT-AWEZNQCLSA-N 0 3 234.343 3.174 20 0 BGADHN CC[C@]1(C)CCN(Cc2cc(C3CC3)no2)C1 ZINC000660000274 411524741 /nfs/dbraw/zinc/52/47/41/411524741.db2.gz SDHBQKISUQHMBT-CQSZACIVSA-N 0 3 234.343 3.174 20 0 BGADHN CCN(CCC=C(C)C)Cc1ccccn1 ZINC000660000277 411525455 /nfs/dbraw/zinc/52/54/55/411525455.db2.gz SENGSIUWJXCGJV-UHFFFAOYSA-N 0 3 218.344 3.260 20 0 BGADHN CCN(CCC1CCC1)Cc1ccccn1 ZINC000660000325 411165269 /nfs/dbraw/zinc/16/52/69/411165269.db2.gz TYKYLQPJHMKOHH-UHFFFAOYSA-N 0 3 218.344 3.094 20 0 BGADHN C[C@H]1CC[C@H](C)N1Cc1cnc2ccccc2n1 ZINC000660000360 411524837 /nfs/dbraw/zinc/52/48/37/411524837.db2.gz VBPCQLPDDOCBNV-RYUDHWBXSA-N 0 3 241.338 3.003 20 0 BGADHN C[C@@H]1CC[C@H](C)N1Cc1cnc2ccccc2n1 ZINC000660000361 411524976 /nfs/dbraw/zinc/52/49/76/411524976.db2.gz VBPCQLPDDOCBNV-TXEJJXNPSA-N 0 3 241.338 3.003 20 0 BGADHN C[C@@H]1CC[C@@H](C)N1Cc1cnc2ccccc2n1 ZINC000660000362 411525235 /nfs/dbraw/zinc/52/52/35/411525235.db2.gz VBPCQLPDDOCBNV-VXGBXAGGSA-N 0 3 241.338 3.003 20 0 BGADHN CN(CCC1CCC1)Cc1cc(Cl)cn1C ZINC000660000366 411164728 /nfs/dbraw/zinc/16/47/28/411164728.db2.gz VGUOJEKUTRRYNN-UHFFFAOYSA-N 0 3 240.778 3.301 20 0 BGADHN CCC[C@H]1CCCN(Cc2cc(C)nc(C)n2)C1 ZINC000660000562 411164304 /nfs/dbraw/zinc/16/43/04/411164304.db2.gz XZWRGBSFBZQRDW-AWEZNQCLSA-N 0 3 247.386 3.106 20 0 BGADHN CCC[C@@H]1CCCN(Cc2cc(C)nc(C)n2)C1 ZINC000660000563 411164383 /nfs/dbraw/zinc/16/43/83/411164383.db2.gz XZWRGBSFBZQRDW-CQSZACIVSA-N 0 3 247.386 3.106 20 0 BGADHN COCCN(Cc1ccc(C)o1)CC1CC=CC1 ZINC000660002094 411526324 /nfs/dbraw/zinc/52/63/24/411526324.db2.gz IQXXOEFGRNSTQH-UHFFFAOYSA-N 0 3 249.354 3.003 20 0 BGADHN CC(C)N(C)Cc1cc(F)ccc1OC(F)F ZINC000660002641 411526810 /nfs/dbraw/zinc/52/68/10/411526810.db2.gz GDQDURWGGKZIAB-UHFFFAOYSA-N 0 3 247.260 3.267 20 0 BGADHN CC(C)N(C)Cc1cccc(F)c1OC(F)F ZINC000660003033 411526771 /nfs/dbraw/zinc/52/67/71/411526771.db2.gz JVOARIDFKDKHSH-UHFFFAOYSA-N 0 3 247.260 3.267 20 0 BGADHN CC(C)c1cccc(CN2CCC(C)(O)CC2)c1 ZINC000660004253 488180713 /nfs/dbraw/zinc/18/07/13/488180713.db2.gz YUTQQVDIYNCISO-UHFFFAOYSA-N 0 3 247.382 3.157 20 0 BGADHN CC[C@H](CC(F)F)CN1CCOC(C)(C)[C@H]1C ZINC000660007767 411168884 /nfs/dbraw/zinc/16/88/84/411168884.db2.gz QWWNWZPWMXJPNA-GHMZBOCLSA-N 0 3 249.345 3.167 20 0 BGADHN CC[C@@H](CC(F)F)CN1CCOC(C)(C)[C@H]1C ZINC000660007768 411169558 /nfs/dbraw/zinc/16/95/58/411169558.db2.gz QWWNWZPWMXJPNA-MNOVXSKESA-N 0 3 249.345 3.167 20 0 BGADHN CC[C@@H](CC(F)F)CN1CCOC(C)(C)[C@@H]1C ZINC000660007769 411169010 /nfs/dbraw/zinc/16/90/10/411169010.db2.gz QWWNWZPWMXJPNA-QWRGUYRKSA-N 0 3 249.345 3.167 20 0 BGADHN CC[C@H](CC(F)F)CN1CCOC(C)(C)[C@@H]1C ZINC000660007770 411168787 /nfs/dbraw/zinc/16/87/87/411168787.db2.gz QWWNWZPWMXJPNA-WDEREUQCSA-N 0 3 249.345 3.167 20 0 BGADHN Cc1nc(CN2CCC[C@H]2CCC(C)C)co1 ZINC000660011326 411173783 /nfs/dbraw/zinc/17/37/83/411173783.db2.gz GKHHRIVBBJSKBZ-AWEZNQCLSA-N 0 3 236.359 3.384 20 0 BGADHN Cc1nc(CN2CCC[C@@H]2CCC(C)C)co1 ZINC000660011327 411173814 /nfs/dbraw/zinc/17/38/14/411173814.db2.gz GKHHRIVBBJSKBZ-CQSZACIVSA-N 0 3 236.359 3.384 20 0 BGADHN CCC[C@@H](C)[C@H]1CCCN1Cc1coc(C)n1 ZINC000660012422 411527185 /nfs/dbraw/zinc/52/71/85/411527185.db2.gz KHAOZYMHTXLIQT-BXUZGUMPSA-N 0 3 236.359 3.384 20 0 BGADHN CCC[C@H](C)[C@@H]1CCCN1Cc1coc(C)n1 ZINC000660012423 411527349 /nfs/dbraw/zinc/52/73/49/411527349.db2.gz KHAOZYMHTXLIQT-FZMZJTMJSA-N 0 3 236.359 3.384 20 0 BGADHN CCC[C@@H](C)[C@@H]1CCCN1Cc1coc(C)n1 ZINC000660012424 411528161 /nfs/dbraw/zinc/52/81/61/411528161.db2.gz KHAOZYMHTXLIQT-RISCZKNCSA-N 0 3 236.359 3.384 20 0 BGADHN CCC[C@H](C)[C@H]1CCCN1Cc1coc(C)n1 ZINC000660012425 411527190 /nfs/dbraw/zinc/52/71/90/411527190.db2.gz KHAOZYMHTXLIQT-SMDDNHRTSA-N 0 3 236.359 3.384 20 0 BGADHN CN(CCOC(C)(C)C)[C@@H]1C[C@@H]1c1ccccc1 ZINC000660017282 411528709 /nfs/dbraw/zinc/52/87/09/411528709.db2.gz LWWSVSCLXQPXIG-HUUCEWRRSA-N 0 3 247.382 3.289 20 0 BGADHN CC(C)N(Cc1cc(C2CC2)no1)CC1CC1 ZINC000660029852 411529555 /nfs/dbraw/zinc/52/95/55/411529555.db2.gz BHTCCDCTRUYSCF-UHFFFAOYSA-N 0 3 234.343 3.172 20 0 BGADHN Cc1nc(CN(C(C)C)C2CCCC2)c(C)o1 ZINC000660061115 411532647 /nfs/dbraw/zinc/53/26/47/411532647.db2.gz FVCDQGAOIDQOCQ-UHFFFAOYSA-N 0 3 236.359 3.444 20 0 BGADHN Cc1nc(CN(C(C)C)C2CCCC2)co1 ZINC000660061480 411532345 /nfs/dbraw/zinc/53/23/45/411532345.db2.gz KVFWFROXDBIPLL-UHFFFAOYSA-N 0 3 222.332 3.136 20 0 BGADHN CCc1nocc1CN(C(C)C)C1CCCC1 ZINC000660061597 411532593 /nfs/dbraw/zinc/53/25/93/411532593.db2.gz MHCWKENEJFLYSV-UHFFFAOYSA-N 0 3 236.359 3.390 20 0 BGADHN CCC(C)(C)N(C)Cc1cc(C2CC2)no1 ZINC000660073483 411533396 /nfs/dbraw/zinc/53/33/96/411533396.db2.gz GPEYWRQOGRIXGE-UHFFFAOYSA-N 0 3 222.332 3.172 20 0 BGADHN CC(C)(NC[C@@H]1C[C@H]2C[C@H]2C1)c1nccs1 ZINC000660073941 411533770 /nfs/dbraw/zinc/53/37/70/411533770.db2.gz IFBZTQZOXMQKLP-JGPRNRPPSA-N 0 3 236.384 3.014 20 0 BGADHN CCC(C)(C)N(C)Cc1cnc2ccccc2n1 ZINC000660074955 411533463 /nfs/dbraw/zinc/53/34/63/411533463.db2.gz WBHIQBREVPLNNZ-UHFFFAOYSA-N 0 3 243.354 3.250 20 0 BGADHN CC(C)=CCCNC(C)(C)c1nccs1 ZINC000660074965 411220528 /nfs/dbraw/zinc/22/05/28/411220528.db2.gz SPQUJFRUBLFPCL-UHFFFAOYSA-N 0 3 224.373 3.324 20 0 BGADHN c1c(CN(CC2CC2)CC2CC2)onc1C1CC1 ZINC000660075339 411220189 /nfs/dbraw/zinc/22/01/89/411220189.db2.gz XQNOGFHPMICENZ-UHFFFAOYSA-N 0 3 246.354 3.174 20 0 BGADHN CC(C)=CCCN1CCc2ccc(O)cc2C1 ZINC000660078399 411534213 /nfs/dbraw/zinc/53/42/13/411534213.db2.gz UGXNCZNZYWVWDR-UHFFFAOYSA-N 0 3 231.339 3.107 20 0 BGADHN Cc1csc(C(C)(C)NCC2CC=CC2)n1 ZINC000660078945 411221430 /nfs/dbraw/zinc/22/14/30/411221430.db2.gz XSTHTZAVMDQJMG-UHFFFAOYSA-N 0 3 236.384 3.242 20 0 BGADHN Cc1csc(C(C)(C)NCCC2CCC2)n1 ZINC000660078958 411534941 /nfs/dbraw/zinc/53/49/41/411534941.db2.gz YBVBWPDFSWTXMT-UHFFFAOYSA-N 0 3 238.400 3.466 20 0 BGADHN CC[C@@](C)(NCC1CC=CC1)c1nccs1 ZINC000660079566 411221091 /nfs/dbraw/zinc/22/10/91/411221091.db2.gz LGZPYHSIJWFWCH-CYBMUJFWSA-N 0 3 236.384 3.324 20 0 BGADHN CC[C@](C)(NCC1CC=CC1)c1nccs1 ZINC000660079567 411221274 /nfs/dbraw/zinc/22/12/74/411221274.db2.gz LGZPYHSIJWFWCH-ZDUSSCGKSA-N 0 3 236.384 3.324 20 0 BGADHN CC(C)N(Cc1cc(C2CC2)no1)C1CCC1 ZINC000660079854 411534938 /nfs/dbraw/zinc/53/49/38/411534938.db2.gz RNHSWCCBRZATCT-UHFFFAOYSA-N 0 3 234.343 3.315 20 0 BGADHN Cc1cccc(CN(C)CCCC2CCC2)n1 ZINC000660080336 411534924 /nfs/dbraw/zinc/53/49/24/411534924.db2.gz HFCXTVKDPNRMBF-UHFFFAOYSA-N 0 3 232.371 3.402 20 0 BGADHN Cc1cccc(CN(C)CCC2CCC2)n1 ZINC000660080914 411534169 /nfs/dbraw/zinc/53/41/69/411534169.db2.gz NEBYJABSLWQXGY-UHFFFAOYSA-N 0 3 218.344 3.012 20 0 BGADHN Cc1cccc(CN(C)C[C@@H]2CC[C@@H]3C[C@@H]3C2)n1 ZINC000660080978 411221299 /nfs/dbraw/zinc/22/12/99/411221299.db2.gz OIOSRGQEXVJDFZ-KFWWJZLASA-N 0 3 244.382 3.258 20 0 BGADHN Cc1cccc(CN(C)C[C@@H]2CC[C@H]3C[C@H]3C2)n1 ZINC000660080979 411221025 /nfs/dbraw/zinc/22/10/25/411221025.db2.gz OIOSRGQEXVJDFZ-QLFBSQMISA-N 0 3 244.382 3.258 20 0 BGADHN CC(C)=CCCN(C)Cc1cccc(C)n1 ZINC000660081267 411221195 /nfs/dbraw/zinc/22/11/95/411221195.db2.gz OVVDQRUENAHQJE-UHFFFAOYSA-N 0 3 218.344 3.178 20 0 BGADHN CCC(CC)(CC)NCc1nc(C)oc1C ZINC000660081458 411222047 /nfs/dbraw/zinc/22/20/47/411222047.db2.gz LTFSHFGRHBTNOG-UHFFFAOYSA-N 0 3 224.348 3.350 20 0 BGADHN CCC[C@@H]1[C@H](C)CCCN1Cc1coc(C)n1 ZINC000660084234 411535280 /nfs/dbraw/zinc/53/52/80/411535280.db2.gz CWXUNWDCIHUCFN-BXUZGUMPSA-N 0 3 236.359 3.384 20 0 BGADHN CCC[C@H]1[C@@H](C)CCCN1Cc1coc(C)n1 ZINC000660084236 411535617 /nfs/dbraw/zinc/53/56/17/411535617.db2.gz CWXUNWDCIHUCFN-FZMZJTMJSA-N 0 3 236.359 3.384 20 0 BGADHN CCC[C@H]1[C@H](C)CCCN1Cc1coc(C)n1 ZINC000660084238 411535431 /nfs/dbraw/zinc/53/54/31/411535431.db2.gz CWXUNWDCIHUCFN-RISCZKNCSA-N 0 3 236.359 3.384 20 0 BGADHN CCC[C@@H]1[C@@H](C)CCCN1Cc1coc(C)n1 ZINC000660084240 411535163 /nfs/dbraw/zinc/53/51/63/411535163.db2.gz CWXUNWDCIHUCFN-SMDDNHRTSA-N 0 3 236.359 3.384 20 0 BGADHN CN(Cc1cn[nH]c1)C[C@H]1CCCCC1(C)C ZINC000660091809 411536447 /nfs/dbraw/zinc/53/64/47/411536447.db2.gz LOLSXPGSDPLGRM-CYBMUJFWSA-N 0 3 235.375 3.058 20 0 BGADHN CN(Cc1cn[nH]c1)C[C@@H]1CCCCC1(C)C ZINC000660091812 411536081 /nfs/dbraw/zinc/53/60/81/411536081.db2.gz LOLSXPGSDPLGRM-ZDUSSCGKSA-N 0 3 235.375 3.058 20 0 BGADHN c1csc(C2(NCC3CC=CC3)CCCC2)n1 ZINC000660093858 411228764 /nfs/dbraw/zinc/22/87/64/411228764.db2.gz WYCSHMSSZWIYNI-UHFFFAOYSA-N 0 3 248.395 3.468 20 0 BGADHN CN(CCC1CCC1)Cc1nc2ccccc2o1 ZINC000660098728 411537174 /nfs/dbraw/zinc/53/71/74/411537174.db2.gz CPYGLPZUHOLPDP-UHFFFAOYSA-N 0 3 244.338 3.450 20 0 BGADHN CCC(C)(CC)NCc1cc(C2CC2)no1 ZINC000660099900 411536931 /nfs/dbraw/zinc/53/69/31/411536931.db2.gz AYNWJHHJJMZVIP-UHFFFAOYSA-N 0 3 222.332 3.220 20 0 BGADHN CC(C)CC[C@@H]1CCCCN1Cc1cn(C)cn1 ZINC000660101352 411537651 /nfs/dbraw/zinc/53/76/51/411537651.db2.gz NKXVKBIJFOZMRI-HNNXBMFYSA-N 0 3 249.402 3.211 20 0 BGADHN CC(C)CC[C@H]1CCCCN1Cc1cn(C)cn1 ZINC000660101572 411537389 /nfs/dbraw/zinc/53/73/89/411537389.db2.gz NKXVKBIJFOZMRI-OAHLLOKOSA-N 0 3 249.402 3.211 20 0 BGADHN Cc1nc(CN2CCCC[C@H]2CC(C)C)co1 ZINC000660101711 411537095 /nfs/dbraw/zinc/53/70/95/411537095.db2.gz QKNCBRILQKPTIT-AWEZNQCLSA-N 0 3 236.359 3.384 20 0 BGADHN Cc1nc(CN2CCCC[C@@H]2CC(C)C)co1 ZINC000660101713 411536979 /nfs/dbraw/zinc/53/69/79/411536979.db2.gz QKNCBRILQKPTIT-CQSZACIVSA-N 0 3 236.359 3.384 20 0 BGADHN CN(Cc1nc2ccccc2o1)CC1CC=CC1 ZINC000660102753 411537190 /nfs/dbraw/zinc/53/71/90/411537190.db2.gz YNYREKJQVCRHDW-UHFFFAOYSA-N 0 3 242.322 3.226 20 0 BGADHN CC(C)c1cccc(CN2CCCOC[C@@H]2C)c1 ZINC000660110951 411538564 /nfs/dbraw/zinc/53/85/64/411538564.db2.gz BWKHFLJHBMZSBG-AWEZNQCLSA-N 0 3 247.382 3.421 20 0 BGADHN CC(C)c1cccc(CN2CCCOC[C@H]2C)c1 ZINC000660110953 411538393 /nfs/dbraw/zinc/53/83/93/411538393.db2.gz BWKHFLJHBMZSBG-CQSZACIVSA-N 0 3 247.382 3.421 20 0 BGADHN COc1ccc(CN(C)CCCC2CCC2)cn1 ZINC000660118641 411237662 /nfs/dbraw/zinc/23/76/62/411237662.db2.gz RUALHGLLHLSVBB-UHFFFAOYSA-N 0 3 248.370 3.102 20 0 BGADHN CC(C)=CCCN(C)[C@H]1CCCc2c1cnn2C ZINC000660118982 411539933 /nfs/dbraw/zinc/53/99/33/411539933.db2.gz VOQWDSDYQHNVJX-AWEZNQCLSA-N 0 3 247.386 3.086 20 0 BGADHN CC(C)=CCCN(C)[C@@H]1CCCc2c1cnn2C ZINC000660118983 411539024 /nfs/dbraw/zinc/53/90/24/411539024.db2.gz VOQWDSDYQHNVJX-CQSZACIVSA-N 0 3 247.386 3.086 20 0 BGADHN C[C@@H]1CCN(Cc2cc(C3CC3)no2)C[C@@H](C)C1 ZINC000660121600 411540149 /nfs/dbraw/zinc/54/01/49/411540149.db2.gz OZLMWZYHCCWWLN-NEPJUHHUSA-N 0 3 248.370 3.420 20 0 BGADHN C[C@H]1CCN(Cc2cc(C3CC3)no2)C[C@H](C)C1 ZINC000660121603 411540303 /nfs/dbraw/zinc/54/03/03/411540303.db2.gz OZLMWZYHCCWWLN-NWDGAFQWSA-N 0 3 248.370 3.420 20 0 BGADHN C[C@H]1CCN(Cc2cc(C3CC3)no2)C[C@@H](C)C1 ZINC000660121606 411540398 /nfs/dbraw/zinc/54/03/98/411540398.db2.gz OZLMWZYHCCWWLN-RYUDHWBXSA-N 0 3 248.370 3.420 20 0 BGADHN C[C@@H]1C[C@H](C)CCN(Cc2cc(C3CC3)no2)C1 ZINC000660121842 411540114 /nfs/dbraw/zinc/54/01/14/411540114.db2.gz OZLMWZYHCCWWLN-VXGBXAGGSA-N 0 3 248.370 3.420 20 0 BGADHN Cc1nc(CN2CC[C@@H](C)C[C@@H](C)C2)c(C)o1 ZINC000660122349 491086383 /nfs/dbraw/zinc/08/63/83/491086383.db2.gz VCHLWKFNPQRRPF-GHMZBOCLSA-N 0 3 236.359 3.159 20 0 BGADHN Cc1nc(CN2CC[C@@H](C)C[C@H](C)C2)c(C)o1 ZINC000660122350 491086349 /nfs/dbraw/zinc/08/63/49/491086349.db2.gz VCHLWKFNPQRRPF-MNOVXSKESA-N 0 3 236.359 3.159 20 0 BGADHN Cc1nc(CN2CC[C@H](C)C[C@H](C)C2)c(C)o1 ZINC000660122351 491086584 /nfs/dbraw/zinc/08/65/84/491086584.db2.gz VCHLWKFNPQRRPF-QWRGUYRKSA-N 0 3 236.359 3.159 20 0 BGADHN Cc1nc(CN2CC[C@H](C)C[C@@H](C)C2)c(C)o1 ZINC000660122352 491086600 /nfs/dbraw/zinc/08/66/00/491086600.db2.gz VCHLWKFNPQRRPF-WDEREUQCSA-N 0 3 236.359 3.159 20 0 BGADHN CC[C@H](CC(F)F)CN(C)Cc1cccnc1 ZINC000660124857 411540993 /nfs/dbraw/zinc/54/09/93/411540993.db2.gz CPYAPOCVBJQWAY-LLVKDONJSA-N 0 3 242.313 3.195 20 0 BGADHN CC[C@@H](CC(F)F)CN(C)Cc1cccnc1 ZINC000660124858 411541772 /nfs/dbraw/zinc/54/17/72/411541772.db2.gz CPYAPOCVBJQWAY-NSHDSACASA-N 0 3 242.313 3.195 20 0 BGADHN CN(CCCC1CCC1)Cc1cccnc1 ZINC000660125748 411244452 /nfs/dbraw/zinc/24/44/52/411244452.db2.gz JSMLABHQCXWRSK-UHFFFAOYSA-N 0 3 218.344 3.094 20 0 BGADHN FC(F)(F)C1=CCN(CCC2CCC2)CC1 ZINC000660129674 411542357 /nfs/dbraw/zinc/54/23/57/411542357.db2.gz GYDYEUYFLJRXIT-UHFFFAOYSA-N 0 3 233.277 3.371 20 0 BGADHN FC(F)(F)C1=CCN(CC2CC=CC2)CC1 ZINC000660130084 411541979 /nfs/dbraw/zinc/54/19/79/411541979.db2.gz LWKWCSQWHUYXCB-UHFFFAOYSA-N 0 3 231.261 3.147 20 0 BGADHN FC(F)(F)C1=CCN(C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000660130389 411250213 /nfs/dbraw/zinc/25/02/13/411250213.db2.gz NBZYIKUKOSSYII-JGPRNRPPSA-N 0 3 245.288 3.227 20 0 BGADHN CC(C)(C)C1=CCN([C@H]2COC(C)(C)C2)CC1 ZINC000660131303 411542788 /nfs/dbraw/zinc/54/27/88/411542788.db2.gz JGJIITVWTNTYCN-CYBMUJFWSA-N 0 3 237.387 3.232 20 0 BGADHN CC(C)(C)C1=CCN([C@@H]2COC(C)(C)C2)CC1 ZINC000660131305 411543329 /nfs/dbraw/zinc/54/33/29/411543329.db2.gz JGJIITVWTNTYCN-ZDUSSCGKSA-N 0 3 237.387 3.232 20 0 BGADHN Cc1nc(CN2CCCC23CCCCC3)co1 ZINC000660131961 411543595 /nfs/dbraw/zinc/54/35/95/411543595.db2.gz DLNDASDZBZFEOG-UHFFFAOYSA-N 0 3 234.343 3.282 20 0 BGADHN CCC[C@H]1CN(C[C@H](CC)CC(F)F)CCO1 ZINC000660134346 411543358 /nfs/dbraw/zinc/54/33/58/411543358.db2.gz YGNQDBGXXZGRHG-NEPJUHHUSA-N 0 3 249.345 3.169 20 0 BGADHN CCC[C@@H]1CN(C[C@@H](CC)CC(F)F)CCO1 ZINC000660134347 411542718 /nfs/dbraw/zinc/54/27/18/411542718.db2.gz YGNQDBGXXZGRHG-NWDGAFQWSA-N 0 3 249.345 3.169 20 0 BGADHN CCC[C@H]1CN(C[C@@H](CC)CC(F)F)CCO1 ZINC000660134348 411543598 /nfs/dbraw/zinc/54/35/98/411543598.db2.gz YGNQDBGXXZGRHG-RYUDHWBXSA-N 0 3 249.345 3.169 20 0 BGADHN CCC[C@@H]1CN(C[C@H](CC)CC(F)F)CCO1 ZINC000660134349 411543028 /nfs/dbraw/zinc/54/30/28/411543028.db2.gz YGNQDBGXXZGRHG-VXGBXAGGSA-N 0 3 249.345 3.169 20 0 BGADHN CC(C)=CCCN(Cc1cccnc1)C1CC1 ZINC000660135850 411253753 /nfs/dbraw/zinc/25/37/53/411253753.db2.gz HBGMZOJKTGEFBL-UHFFFAOYSA-N 0 3 230.355 3.402 20 0 BGADHN c1cncc(CN(C[C@@H]2C[C@H]3C[C@H]3C2)C2CC2)c1 ZINC000660136017 411253784 /nfs/dbraw/zinc/25/37/84/411253784.db2.gz HVQXSCSCCOKQHI-QDMKHBRRSA-N 0 3 242.366 3.092 20 0 BGADHN c1cc(CN(CCC2CCC2)C2CC2)ccn1 ZINC000660137128 411543738 /nfs/dbraw/zinc/54/37/38/411543738.db2.gz HZODJIHTHZLTHK-UHFFFAOYSA-N 0 3 230.355 3.236 20 0 BGADHN CC(C)=CCCN(Cc1ccncc1)C1CC1 ZINC000660138430 411543726 /nfs/dbraw/zinc/54/37/26/411543726.db2.gz TYSXNGQYSQOINA-UHFFFAOYSA-N 0 3 230.355 3.402 20 0 BGADHN c1cncc(CN(CCC2CCC2)C2CC2)c1 ZINC000660138822 411254430 /nfs/dbraw/zinc/25/44/30/411254430.db2.gz YPXCNTHTIYECPH-UHFFFAOYSA-N 0 3 230.355 3.236 20 0 BGADHN CC(C)=CCCN(C)[C@H](C)c1ccncc1 ZINC000660139729 411543348 /nfs/dbraw/zinc/54/33/48/411543348.db2.gz FETIZMXWVGGWKZ-CYBMUJFWSA-N 0 3 218.344 3.431 20 0 BGADHN CC(C)=CCCN(C)[C@@H](C)c1ccncc1 ZINC000660139731 411543283 /nfs/dbraw/zinc/54/32/83/411543283.db2.gz FETIZMXWVGGWKZ-ZDUSSCGKSA-N 0 3 218.344 3.431 20 0 BGADHN C[C@H](c1cccnc1)N(C)CCC1CCC1 ZINC000660140137 411255475 /nfs/dbraw/zinc/25/54/75/411255475.db2.gz JXOZDAUOKXNEBY-GFCCVEGCSA-N 0 3 218.344 3.265 20 0 BGADHN C[C@@H](c1cccnc1)N(C)CCC1CCC1 ZINC000660140143 411255508 /nfs/dbraw/zinc/25/55/08/411255508.db2.gz JXOZDAUOKXNEBY-LBPRGKRZSA-N 0 3 218.344 3.265 20 0 BGADHN CC(C)=CCCN(C)[C@H](C)c1ccccn1 ZINC000660140272 411543681 /nfs/dbraw/zinc/54/36/81/411543681.db2.gz KIMZVPKEURLFQO-CYBMUJFWSA-N 0 3 218.344 3.431 20 0 BGADHN CC(C)=CCCN(C)[C@@H](C)c1ccccn1 ZINC000660140274 411543941 /nfs/dbraw/zinc/54/39/41/411543941.db2.gz KIMZVPKEURLFQO-ZDUSSCGKSA-N 0 3 218.344 3.431 20 0 BGADHN C[C@H](c1ccccn1)N(C)CCC1CCC1 ZINC000660140324 411256610 /nfs/dbraw/zinc/25/66/10/411256610.db2.gz LELJPMRNZKVMGY-GFCCVEGCSA-N 0 3 218.344 3.265 20 0 BGADHN C[C@@H](c1ccccn1)N(C)CCC1CCC1 ZINC000660140325 411256454 /nfs/dbraw/zinc/25/64/54/411256454.db2.gz LELJPMRNZKVMGY-LBPRGKRZSA-N 0 3 218.344 3.265 20 0 BGADHN CC(C)=CCCN(C)[C@H](C)c1cccnc1 ZINC000660140330 411256264 /nfs/dbraw/zinc/25/62/64/411256264.db2.gz LFONLYCZBLZNQK-CYBMUJFWSA-N 0 3 218.344 3.431 20 0 BGADHN CC(C)=CCCN(C)[C@@H](C)c1cccnc1 ZINC000660140331 411256657 /nfs/dbraw/zinc/25/66/57/411256657.db2.gz LFONLYCZBLZNQK-ZDUSSCGKSA-N 0 3 218.344 3.431 20 0 BGADHN CC(C)(C)n1cc(CN2CCC3(CC3)CC2)cn1 ZINC000660145076 411259932 /nfs/dbraw/zinc/25/99/32/411259932.db2.gz PPZZLMXORWTBAN-UHFFFAOYSA-N 0 3 247.386 3.014 20 0 BGADHN CC(C)=CCCN1CC2(C1)CC(F)(F)C2 ZINC000660146162 411545874 /nfs/dbraw/zinc/54/58/74/411545874.db2.gz DLCLQVIXEYJGTF-UHFFFAOYSA-N 0 3 215.287 3.074 20 0 BGADHN FC1(F)CC2(CN(C[C@@H]3CC[C@H]4C[C@H]4C3)C2)C1 ZINC000660147510 411546015 /nfs/dbraw/zinc/54/60/15/411546015.db2.gz OFHXPMAJOSZXNV-GRYCIOLGSA-N 0 3 241.325 3.154 20 0 BGADHN FC1(F)CC2(CN(C[C@@H]3CC[C@@H]4C[C@@H]4C3)C2)C1 ZINC000660147517 411546567 /nfs/dbraw/zinc/54/65/67/411546567.db2.gz OFHXPMAJOSZXNV-UTUOFQBUSA-N 0 3 241.325 3.154 20 0 BGADHN COCC1(N(C)Cc2cccc(C(C)C)c2)CC1 ZINC000660147964 411546213 /nfs/dbraw/zinc/54/62/13/411546213.db2.gz GVSGYBYJDKCMEA-UHFFFAOYSA-N 0 3 247.382 3.421 20 0 BGADHN FC1(F)CC2(CN(CCCC3CCC3)C2)C1 ZINC000660148243 411263691 /nfs/dbraw/zinc/26/36/91/411263691.db2.gz TXWVYGXNBIOTOL-UHFFFAOYSA-N 0 3 229.314 3.298 20 0 BGADHN FC(F)[C@H]1CCN([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000660148401 411546051 /nfs/dbraw/zinc/54/60/51/411546051.db2.gz VBKQRMVMNCATJT-YNEHKIRRSA-N 0 3 237.293 3.130 20 0 BGADHN CCC(CC)CN1CC2(C1)CC(F)(F)C2 ZINC000660148838 411546468 /nfs/dbraw/zinc/54/64/68/411546468.db2.gz XXOVFUDCWVVNGS-UHFFFAOYSA-N 0 3 217.303 3.154 20 0 BGADHN CC(C)=CCCN1CCc2ccsc2C1 ZINC000660149056 487697087 /nfs/dbraw/zinc/69/70/87/487697087.db2.gz GMOOLHACKDZDSZ-UHFFFAOYSA-N 0 3 221.369 3.463 20 0 BGADHN CC[C@@H](CC(F)F)CN1CCOC[C@]1(C)CC ZINC000660150612 411265458 /nfs/dbraw/zinc/26/54/58/411265458.db2.gz YRBVKKLMFLSBDV-AAEUAGOBSA-N 0 3 249.345 3.169 20 0 BGADHN CC[C@H](CC(F)F)CN1CCOC[C@@]1(C)CC ZINC000660150615 411265252 /nfs/dbraw/zinc/26/52/52/411265252.db2.gz YRBVKKLMFLSBDV-DGCLKSJQSA-N 0 3 249.345 3.169 20 0 BGADHN CC[C@@H](CC(F)F)CN1CCOC[C@@]1(C)CC ZINC000660150625 411265392 /nfs/dbraw/zinc/26/53/92/411265392.db2.gz YRBVKKLMFLSBDV-WCQYABFASA-N 0 3 249.345 3.169 20 0 BGADHN CC[C@H](CC(F)F)CN1CCOC[C@]1(C)CC ZINC000660150629 411265426 /nfs/dbraw/zinc/26/54/26/411265426.db2.gz YRBVKKLMFLSBDV-YPMHNXCESA-N 0 3 249.345 3.169 20 0 BGADHN C[C@@H]1CCN(Cc2cc(C3CC3)no2)C[C@H]1C ZINC000660157009 411269462 /nfs/dbraw/zinc/26/94/62/411269462.db2.gz ILEUSFQFIVBMLT-GHMZBOCLSA-N 0 3 234.343 3.030 20 0 BGADHN C[C@@H]1CCN(Cc2cc(C3CC3)no2)C[C@@H]1C ZINC000660157016 411268986 /nfs/dbraw/zinc/26/89/86/411268986.db2.gz ILEUSFQFIVBMLT-MNOVXSKESA-N 0 3 234.343 3.030 20 0 BGADHN C[C@H]1CN(Cc2cc(C3CC3)no2)CC[C@@H]1C ZINC000660157020 411269054 /nfs/dbraw/zinc/26/90/54/411269054.db2.gz ILEUSFQFIVBMLT-QWRGUYRKSA-N 0 3 234.343 3.030 20 0 BGADHN C[C@H]1CCN(Cc2cc(C3CC3)no2)C[C@H]1C ZINC000660157025 411269008 /nfs/dbraw/zinc/26/90/08/411269008.db2.gz ILEUSFQFIVBMLT-WDEREUQCSA-N 0 3 234.343 3.030 20 0 BGADHN CCN(CCCC1CCC1)Cc1ccncc1 ZINC000660161146 411549719 /nfs/dbraw/zinc/54/97/19/411549719.db2.gz GMZPBZAYBFKRPA-UHFFFAOYSA-N 0 3 232.371 3.484 20 0 BGADHN CCN(CCC=C(C)C)Cc1ccncc1 ZINC000660162080 411549616 /nfs/dbraw/zinc/54/96/16/411549616.db2.gz SAURECWAPOODHA-UHFFFAOYSA-N 0 3 218.344 3.260 20 0 BGADHN CC(C)c1cccc(CN2CCC[C@](C)(O)C2)c1 ZINC000660163340 411273166 /nfs/dbraw/zinc/27/31/66/411273166.db2.gz UMUBBNVPAJJUDD-INIZCTEOSA-N 0 3 247.382 3.157 20 0 BGADHN CC(C)c1cccc(CN2CCC[C@@](C)(O)C2)c1 ZINC000660163343 411273244 /nfs/dbraw/zinc/27/32/44/411273244.db2.gz UMUBBNVPAJJUDD-MRXNPFEDSA-N 0 3 247.382 3.157 20 0 BGADHN CC(C)N(Cc1cnn(C(C)(C)C)c1)C(C)C ZINC000660168148 411275873 /nfs/dbraw/zinc/27/58/73/411275873.db2.gz HMNKPLXVODXMAJ-UHFFFAOYSA-N 0 3 237.391 3.257 20 0 BGADHN c1ccc(CN(C[C@@H]2C[C@H]3C[C@H]3C2)C2CC2)nc1 ZINC000660168265 411551214 /nfs/dbraw/zinc/55/12/14/411551214.db2.gz MUSYYDRTFONXOD-BTTYYORXSA-N 0 3 242.366 3.092 20 0 BGADHN CC[C@@H]1CC[C@@H](C)N1Cc1nc(C)oc1C ZINC000660168293 411551633 /nfs/dbraw/zinc/55/16/33/411551633.db2.gz ALGZTEPATSYDBA-BXKDBHETSA-N 0 3 222.332 3.054 20 0 BGADHN CC[C@H]1CC[C@H](C)N1Cc1nc(C)oc1C ZINC000660168294 411551341 /nfs/dbraw/zinc/55/13/41/411551341.db2.gz ALGZTEPATSYDBA-CABZTGNLSA-N 0 3 222.332 3.054 20 0 BGADHN CC[C@@H]1CC[C@H](C)N1Cc1nc(C)oc1C ZINC000660168295 411551570 /nfs/dbraw/zinc/55/15/70/411551570.db2.gz ALGZTEPATSYDBA-JOYOIKCWSA-N 0 3 222.332 3.054 20 0 BGADHN CC[C@H]1CC[C@@H](C)N1Cc1nc(C)oc1C ZINC000660168296 411551217 /nfs/dbraw/zinc/55/12/17/411551217.db2.gz ALGZTEPATSYDBA-SKDRFNHKSA-N 0 3 222.332 3.054 20 0 BGADHN C1=CCC(CN(Cc2ccccn2)C2CC2)C1 ZINC000660168428 487723755 /nfs/dbraw/zinc/72/37/55/487723755.db2.gz QMFGBEBJWMRFSB-UHFFFAOYSA-N 0 3 228.339 3.012 20 0 BGADHN CC(C)N(Cc1cc(C2CC2)no1)C(C)C ZINC000660168582 411551453 /nfs/dbraw/zinc/55/14/53/411551453.db2.gz TXEMEJPVKNUZOY-UHFFFAOYSA-N 0 3 222.332 3.171 20 0 BGADHN c1ccc(CN(CCC2CCC2)C2CC2)nc1 ZINC000660168585 487725156 /nfs/dbraw/zinc/72/51/56/487725156.db2.gz UFGYNFMVRHSZLH-UHFFFAOYSA-N 0 3 230.355 3.236 20 0 BGADHN CC(C)=CCCN(Cc1ccccn1)C1CC1 ZINC000660168651 411551255 /nfs/dbraw/zinc/55/12/55/411551255.db2.gz XTCJSSHGNOAAIA-UHFFFAOYSA-N 0 3 230.355 3.402 20 0 BGADHN CC(C)N(Cc1cnc2ccccc2n1)C(C)C ZINC000660168709 411551258 /nfs/dbraw/zinc/55/12/58/411551258.db2.gz ZGKIHPAOWSZUCK-UHFFFAOYSA-N 0 3 243.354 3.249 20 0 BGADHN CC[C@@H]1CC[C@H](C)N1Cc1cc(C2CC2)no1 ZINC000660168989 487726313 /nfs/dbraw/zinc/72/63/13/487726313.db2.gz HRFROEGRVAVOHY-CMPLNLGQSA-N 0 3 234.343 3.315 20 0 BGADHN CC[C@H]1CC[C@H](C)N1Cc1cc(C2CC2)no1 ZINC000660168991 487725837 /nfs/dbraw/zinc/72/58/37/487725837.db2.gz HRFROEGRVAVOHY-JQWIXIFHSA-N 0 3 234.343 3.315 20 0 BGADHN CC[C@H]1CC[C@@H](C)N1Cc1cc(C2CC2)no1 ZINC000660169009 487725790 /nfs/dbraw/zinc/72/57/90/487725790.db2.gz HRFROEGRVAVOHY-PWSUYJOCSA-N 0 3 234.343 3.315 20 0 BGADHN CC[C@@H]1CC[C@@H](C)N1Cc1cc(C2CC2)no1 ZINC000660169011 487725802 /nfs/dbraw/zinc/72/58/02/487725802.db2.gz HRFROEGRVAVOHY-ZYHUDNBSSA-N 0 3 234.343 3.315 20 0 BGADHN Cc1nc(CN[C@@H](C)C2CCCCC2)c(C)o1 ZINC000660177160 411551762 /nfs/dbraw/zinc/55/17/62/411551762.db2.gz GHVZGQSYIKGUDP-JTQLQIEISA-N 0 3 236.359 3.350 20 0 BGADHN Cc1nc(CN[C@H](C)C2CCCCC2)c(C)o1 ZINC000660177161 411551858 /nfs/dbraw/zinc/55/18/58/411551858.db2.gz GHVZGQSYIKGUDP-SNVBAGLBSA-N 0 3 236.359 3.350 20 0 BGADHN Cc1nc(CN[C@H]2[C@H](C)CCC[C@@H]2C)c(C)o1 ZINC000660177258 411551908 /nfs/dbraw/zinc/55/19/08/411551908.db2.gz ASAPYLQHEAOGHU-MSRIBSCDSA-N 0 3 236.359 3.206 20 0 BGADHN Cc1nc(CNC2[C@H](C)CCC[C@H]2C)c(C)o1 ZINC000660177259 411551962 /nfs/dbraw/zinc/55/19/62/411551962.db2.gz ASAPYLQHEAOGHU-NXEZZACHSA-N 0 3 236.359 3.206 20 0 BGADHN Cc1nc(CNC2[C@@H](C)CCC[C@@H]2C)c(C)o1 ZINC000660177260 411551972 /nfs/dbraw/zinc/55/19/72/411551972.db2.gz ASAPYLQHEAOGHU-UWVGGRQHSA-N 0 3 236.359 3.206 20 0 BGADHN C[C@@H]1CCC[C@@H](C)C1NCc1cc(C2CC2)no1 ZINC000660180078 411552492 /nfs/dbraw/zinc/55/24/92/411552492.db2.gz VRCFPIWXAZMBNN-GHMZBOCLSA-N 0 3 248.370 3.466 20 0 BGADHN C[C@@H]1CCC[C@H](C)[C@H]1NCc1cc(C2CC2)no1 ZINC000660180079 411552442 /nfs/dbraw/zinc/55/24/42/411552442.db2.gz VRCFPIWXAZMBNN-HBYGRHMLSA-N 0 3 248.370 3.466 20 0 BGADHN C[C@H]1CCC[C@H](C)C1NCc1cc(C2CC2)no1 ZINC000660180080 411552638 /nfs/dbraw/zinc/55/26/38/411552638.db2.gz VRCFPIWXAZMBNN-QWRGUYRKSA-N 0 3 248.370 3.466 20 0 BGADHN CO[C@@H](CNC1(c2ccccc2)CC1)C1CCC1 ZINC000660192341 411552413 /nfs/dbraw/zinc/55/24/13/411552413.db2.gz PFTPYDAMHVSVSJ-HNNXBMFYSA-N 0 3 245.366 3.080 20 0 BGADHN CO[C@H](CNC1(c2ccccc2)CC1)C1CCC1 ZINC000660192342 411552690 /nfs/dbraw/zinc/55/26/90/411552690.db2.gz PFTPYDAMHVSVSJ-OAHLLOKOSA-N 0 3 245.366 3.080 20 0 BGADHN CC(C)=CCCN[C@@H](C)c1c(C)noc1C ZINC000660195588 411552547 /nfs/dbraw/zinc/55/25/47/411552547.db2.gz XKXFCZMQXZODBS-JTQLQIEISA-N 0 3 222.332 3.298 20 0 BGADHN CC(C)=CCCN[C@H](C)c1c(C)noc1C ZINC000660195589 411552252 /nfs/dbraw/zinc/55/22/52/411552252.db2.gz XKXFCZMQXZODBS-SNVBAGLBSA-N 0 3 222.332 3.298 20 0 BGADHN Fc1ccccc1C1(NC[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000660196392 411552790 /nfs/dbraw/zinc/55/27/90/411552790.db2.gz IVOJJBKHULBZBR-CLLJXQQHSA-N 0 3 245.341 3.451 20 0 BGADHN CC[C@@H](C)[C@@H](C)NCc1cc(C2CC2)no1 ZINC000660197836 411295093 /nfs/dbraw/zinc/29/50/93/411295093.db2.gz SZQSZGPRGWBKIU-NXEZZACHSA-N 0 3 222.332 3.076 20 0 BGADHN CC[C@H](C)[C@H](C)NCc1cc(C2CC2)no1 ZINC000660197837 411294964 /nfs/dbraw/zinc/29/49/64/411294964.db2.gz SZQSZGPRGWBKIU-UWVGGRQHSA-N 0 3 222.332 3.076 20 0 BGADHN CC[C@H](C)[C@@H](C)NCc1cc(C2CC2)no1 ZINC000660197838 411294914 /nfs/dbraw/zinc/29/49/14/411294914.db2.gz SZQSZGPRGWBKIU-VHSXEESVSA-N 0 3 222.332 3.076 20 0 BGADHN CC[C@@H](C)[C@H](C)NCc1cc(C2CC2)no1 ZINC000660197839 411294924 /nfs/dbraw/zinc/29/49/24/411294924.db2.gz SZQSZGPRGWBKIU-ZJUUUORDSA-N 0 3 222.332 3.076 20 0 BGADHN COc1cccc(F)c1[C@@H](C)NCC1CC=CC1 ZINC000660199162 411553151 /nfs/dbraw/zinc/55/31/51/411553151.db2.gz DJKHMFQUDIEHQI-LLVKDONJSA-N 0 3 249.329 3.451 20 0 BGADHN COc1cccc(F)c1[C@H](C)NCC1CC=CC1 ZINC000660199163 411553213 /nfs/dbraw/zinc/55/32/13/411553213.db2.gz DJKHMFQUDIEHQI-NSHDSACASA-N 0 3 249.329 3.451 20 0 BGADHN CC[C@H](NCc1coc(C)n1)C1CCCCC1 ZINC000660207325 411298039 /nfs/dbraw/zinc/29/80/39/411298039.db2.gz CLMIHPAEVJBXBA-AWEZNQCLSA-N 0 3 236.359 3.432 20 0 BGADHN CC[C@@H](NCc1coc(C)n1)C1CCCCC1 ZINC000660207329 411297956 /nfs/dbraw/zinc/29/79/56/411297956.db2.gz CLMIHPAEVJBXBA-CQSZACIVSA-N 0 3 236.359 3.432 20 0 BGADHN Cc1nc(CNC(C(C)C)C(C)C)c(C)o1 ZINC000660211485 411553731 /nfs/dbraw/zinc/55/37/31/411553731.db2.gz CBEXQPAQVWONSE-UHFFFAOYSA-N 0 3 224.348 3.062 20 0 BGADHN CC(C)C(NCc1cc(C2CC2)no1)C(C)C ZINC000660213420 411554295 /nfs/dbraw/zinc/55/42/95/411554295.db2.gz UFNLIZGDYFXSBU-UHFFFAOYSA-N 0 3 236.359 3.322 20 0 BGADHN Cc1csc([C@H](NCC2CC=CC2)C2CC2)n1 ZINC000660215444 487812692 /nfs/dbraw/zinc/81/26/92/487812692.db2.gz VRRZMCLXYFHKIF-CYBMUJFWSA-N 0 3 248.395 3.458 20 0 BGADHN Cc1csc([C@@H](NCC2CC=CC2)C2CC2)n1 ZINC000660215447 487812792 /nfs/dbraw/zinc/81/27/92/487812792.db2.gz VRRZMCLXYFHKIF-ZDUSSCGKSA-N 0 3 248.395 3.458 20 0 BGADHN CSc1cccc(CN2CC=CCC2)c1 ZINC000660218969 411554961 /nfs/dbraw/zinc/55/49/61/411554961.db2.gz AXOGHROOFNXXFS-UHFFFAOYSA-N 0 3 219.353 3.170 20 0 BGADHN COc1cccc(SCCN2CC=CCC2)c1 ZINC000660219230 411554991 /nfs/dbraw/zinc/55/49/91/411554991.db2.gz DQBONJDFDAYPSU-UHFFFAOYSA-N 0 3 249.379 3.049 20 0 BGADHN CC[C@H](CC(F)F)CN1CC[C@H](C)[C@@H](F)C1 ZINC000660220993 411555500 /nfs/dbraw/zinc/55/55/00/411555500.db2.gz LFHWJKYIPYTPGI-AXFHLTTASA-N 0 3 237.309 3.348 20 0 BGADHN CC[C@H](CC(F)F)CN1CC[C@@H](C)[C@H](F)C1 ZINC000660220995 411554850 /nfs/dbraw/zinc/55/48/50/411554850.db2.gz LFHWJKYIPYTPGI-GMTAPVOTSA-N 0 3 237.309 3.348 20 0 BGADHN CC[C@H](CC(F)F)CN1CC[C@H](C)[C@H](F)C1 ZINC000660220997 411555261 /nfs/dbraw/zinc/55/52/61/411555261.db2.gz LFHWJKYIPYTPGI-HBNTYKKESA-N 0 3 237.309 3.348 20 0 BGADHN CC[C@H](CC(F)F)CN1CC[C@@H](C)[C@@H](F)C1 ZINC000660220999 411554929 /nfs/dbraw/zinc/55/49/29/411554929.db2.gz LFHWJKYIPYTPGI-MXWKQRLJSA-N 0 3 237.309 3.348 20 0 BGADHN CC[C@H](CC(F)F)CN1CCO[C@H](C(C)C)C1 ZINC000660222420 411556226 /nfs/dbraw/zinc/55/62/26/411556226.db2.gz VKXXSMAZDKOZIG-NEPJUHHUSA-N 0 3 249.345 3.025 20 0 BGADHN CC[C@@H](CC(F)F)CN1CCO[C@@H](C(C)C)C1 ZINC000660222422 411555900 /nfs/dbraw/zinc/55/59/00/411555900.db2.gz VKXXSMAZDKOZIG-NWDGAFQWSA-N 0 3 249.345 3.025 20 0 BGADHN CC[C@@H](CC(F)F)CN1CCO[C@H](C(C)C)C1 ZINC000660222426 411556376 /nfs/dbraw/zinc/55/63/76/411556376.db2.gz VKXXSMAZDKOZIG-RYUDHWBXSA-N 0 3 249.345 3.025 20 0 BGADHN CC[C@H](CC(F)F)CN1CCO[C@@H](C(C)C)C1 ZINC000660222427 411556364 /nfs/dbraw/zinc/55/63/64/411556364.db2.gz VKXXSMAZDKOZIG-VXGBXAGGSA-N 0 3 249.345 3.025 20 0 BGADHN c1ccc2c(CCN3CC=CCC3)nsc2c1 ZINC000660222779 411556114 /nfs/dbraw/zinc/55/61/14/411556114.db2.gz ZPXHCPXZHIEHJF-UHFFFAOYSA-N 0 3 244.363 3.101 20 0 BGADHN FC(F)O[C@@H]1CCCN(CCCC2CCC2)C1 ZINC000660236205 487835185 /nfs/dbraw/zinc/83/51/85/487835185.db2.gz LJLNOTMNNNIMLE-GFCCVEGCSA-N 0 3 247.329 3.270 20 0 BGADHN FC(F)O[C@H]1CCCN(CCCC2CCC2)C1 ZINC000660236206 487834976 /nfs/dbraw/zinc/83/49/76/487834976.db2.gz LJLNOTMNNNIMLE-LBPRGKRZSA-N 0 3 247.329 3.270 20 0 BGADHN CC(C)=CCCN1CCC[C@@H](OC(F)F)C1 ZINC000660236370 411302032 /nfs/dbraw/zinc/30/20/32/411302032.db2.gz MZESICGZURTTQR-LLVKDONJSA-N 0 3 233.302 3.046 20 0 BGADHN CC(C)=CCCN1CCC[C@H](OC(F)F)C1 ZINC000660236371 411301963 /nfs/dbraw/zinc/30/19/63/411301963.db2.gz MZESICGZURTTQR-NSHDSACASA-N 0 3 233.302 3.046 20 0 BGADHN Cc1nc(CN2CC[C@]3(CC[C@@H](C)C3)C2)c(C)o1 ZINC000660237820 411557947 /nfs/dbraw/zinc/55/79/47/411557947.db2.gz COLFSEAWTPJRKK-ABAIWWIYSA-N 0 3 248.370 3.304 20 0 BGADHN Cc1nc(CN2CC[C@@]3(CC[C@@H](C)C3)C2)c(C)o1 ZINC000660237821 411557663 /nfs/dbraw/zinc/55/76/63/411557663.db2.gz COLFSEAWTPJRKK-IAQYHMDHSA-N 0 3 248.370 3.304 20 0 BGADHN Cc1nc(CN2CC[C@]3(CC[C@H](C)C3)C2)c(C)o1 ZINC000660237822 411557880 /nfs/dbraw/zinc/55/78/80/411557880.db2.gz COLFSEAWTPJRKK-NHYWBVRUSA-N 0 3 248.370 3.304 20 0 BGADHN Cc1nc(CN2CC[C@@]3(CC[C@H](C)C3)C2)c(C)o1 ZINC000660237823 411557927 /nfs/dbraw/zinc/55/79/27/411557927.db2.gz COLFSEAWTPJRKK-XHDPSFHLSA-N 0 3 248.370 3.304 20 0 BGADHN Cc1nc(CN2C[C@H](C)[C@H]3CCCC[C@H]32)c(C)o1 ZINC000660239856 411557973 /nfs/dbraw/zinc/55/79/73/411557973.db2.gz YHZYDMFWXFAWCV-PSOPSSQASA-N 0 3 248.370 3.302 20 0 BGADHN Cc1nc(CN2C[C@H](C)[C@@H]3CCCC[C@H]32)c(C)o1 ZINC000660239857 411557830 /nfs/dbraw/zinc/55/78/30/411557830.db2.gz YHZYDMFWXFAWCV-VZJVUDMVSA-N 0 3 248.370 3.302 20 0 BGADHN Cc1nc(CN2C[C@H](C)[C@@H]3CCCC[C@@H]32)c(C)o1 ZINC000660239858 411557395 /nfs/dbraw/zinc/55/73/95/411557395.db2.gz YHZYDMFWXFAWCV-XEGUGMAKSA-N 0 3 248.370 3.302 20 0 BGADHN Cc1nc(CN2C[C@H](C)[C@H]3CCCC[C@@H]32)c(C)o1 ZINC000660239859 411557736 /nfs/dbraw/zinc/55/77/36/411557736.db2.gz YHZYDMFWXFAWCV-ZBINZKHDSA-N 0 3 248.370 3.302 20 0 BGADHN COc1cccc2c1CCN(CCC=C(C)C)C2 ZINC000660242059 411558194 /nfs/dbraw/zinc/55/81/94/411558194.db2.gz IIVKBNXYVXAMHE-UHFFFAOYSA-N 0 3 245.366 3.410 20 0 BGADHN C[C@H]1CN(Cc2cc(C3CC3)no2)CC(C)(C)C1 ZINC000660246902 411305727 /nfs/dbraw/zinc/30/57/27/411305727.db2.gz AJIWPRCXXSJSFH-LLVKDONJSA-N 0 3 248.370 3.420 20 0 BGADHN C[C@@H]1CN(Cc2cc(C3CC3)no2)CC(C)(C)C1 ZINC000660246906 411306152 /nfs/dbraw/zinc/30/61/52/411306152.db2.gz AJIWPRCXXSJSFH-NSHDSACASA-N 0 3 248.370 3.420 20 0 BGADHN CN(Cc1cc(C2CC2)no1)C[C@@H]1CC=CCC1 ZINC000660247987 411307759 /nfs/dbraw/zinc/30/77/59/411307759.db2.gz LSFOORMSDKHCLS-GFCCVEGCSA-N 0 3 246.354 3.340 20 0 BGADHN CN(Cc1cc(C2CC2)no1)C[C@H]1CC=CCC1 ZINC000660247988 411307241 /nfs/dbraw/zinc/30/72/41/411307241.db2.gz LSFOORMSDKHCLS-LBPRGKRZSA-N 0 3 246.354 3.340 20 0 BGADHN COC[C@@H](NCCCC1CCC1)c1ccco1 ZINC000660250277 411559658 /nfs/dbraw/zinc/55/96/58/411559658.db2.gz GQTMSQWFYYCYFU-CYBMUJFWSA-N 0 3 237.343 3.137 20 0 BGADHN COC[C@H](NCCCC1CCC1)c1ccco1 ZINC000660250279 411559440 /nfs/dbraw/zinc/55/94/40/411559440.db2.gz GQTMSQWFYYCYFU-ZDUSSCGKSA-N 0 3 237.343 3.137 20 0 BGADHN CCc1ccc([C@H](COC)NCC2CC=CC2)o1 ZINC000660250858 411318000 /nfs/dbraw/zinc/31/80/00/411318000.db2.gz JCTJCCCIOAXJNR-AWEZNQCLSA-N 0 3 249.354 3.085 20 0 BGADHN CCc1ccc([C@@H](COC)NCC2CC=CC2)o1 ZINC000660250870 411317977 /nfs/dbraw/zinc/31/79/77/411317977.db2.gz JCTJCCCIOAXJNR-CQSZACIVSA-N 0 3 249.354 3.085 20 0 BGADHN COC[C@@H](NCCC1CCC1)c1ccc(C)o1 ZINC000660252373 411559888 /nfs/dbraw/zinc/55/98/88/411559888.db2.gz UYVWHQBCNKIKGQ-CYBMUJFWSA-N 0 3 237.343 3.055 20 0 BGADHN COC[C@H](NCCC1CCC1)c1ccc(C)o1 ZINC000660252375 411560354 /nfs/dbraw/zinc/56/03/54/411560354.db2.gz UYVWHQBCNKIKGQ-ZDUSSCGKSA-N 0 3 237.343 3.055 20 0 BGADHN c1ccc2c(CNC3(C4CC4)CC3)nsc2c1 ZINC000660252591 411320904 /nfs/dbraw/zinc/32/09/04/411320904.db2.gz CPPIRVJACJVGFO-UHFFFAOYSA-N 0 3 244.363 3.329 20 0 BGADHN CC[C@H](NC[C@@H]1C[C@H]2C[C@H]2C1)c1nccs1 ZINC000660252675 411330019 /nfs/dbraw/zinc/33/00/19/411330019.db2.gz DBZJRIWNEIZOGD-USZNOCQGSA-N 0 3 236.384 3.230 20 0 BGADHN CC[C@@H](NC[C@@H]1C[C@H]2C[C@H]2C1)c1nccs1 ZINC000660252686 411325028 /nfs/dbraw/zinc/32/50/28/411325028.db2.gz DBZJRIWNEIZOGD-WRWGMCAJSA-N 0 3 236.384 3.230 20 0 BGADHN COC[C@@H](NCCC=C(C)C)c1ccc(C)o1 ZINC000660252708 411560384 /nfs/dbraw/zinc/56/03/84/411560384.db2.gz XHXAENGSSAAJAJ-CYBMUJFWSA-N 0 3 237.343 3.221 20 0 BGADHN COC[C@H](NCCC=C(C)C)c1ccc(C)o1 ZINC000660252710 411559994 /nfs/dbraw/zinc/55/99/94/411559994.db2.gz XHXAENGSSAAJAJ-ZDUSSCGKSA-N 0 3 237.343 3.221 20 0 BGADHN CC[C@@H](NCC1CC=CC1)c1nccs1 ZINC000660253552 411560330 /nfs/dbraw/zinc/56/03/30/411560330.db2.gz JCPUXKMXXNLMQC-LLVKDONJSA-N 0 3 222.357 3.150 20 0 BGADHN CC[C@H](NCC1CC=CC1)c1nccs1 ZINC000660253553 411560339 /nfs/dbraw/zinc/56/03/39/411560339.db2.gz JCPUXKMXXNLMQC-NSHDSACASA-N 0 3 222.357 3.150 20 0 BGADHN CCCC[C@H](NCc1coc(C)n1)C1CCC1 ZINC000660253811 411559876 /nfs/dbraw/zinc/55/98/76/411559876.db2.gz MAIQGTKDGSSVKZ-AWEZNQCLSA-N 0 3 236.359 3.432 20 0 BGADHN CCCC[C@@H](NCc1coc(C)n1)C1CCC1 ZINC000660253812 411560293 /nfs/dbraw/zinc/56/02/93/411560293.db2.gz MAIQGTKDGSSVKZ-CQSZACIVSA-N 0 3 236.359 3.432 20 0 BGADHN Cc1cnc([C@H](NCC2CC=CC2)C2CC2)s1 ZINC000660254218 411341941 /nfs/dbraw/zinc/34/19/41/411341941.db2.gz QQCIQTDDHZEEIK-CYBMUJFWSA-N 0 3 248.395 3.458 20 0 BGADHN Cc1cnc([C@@H](NCC2CC=CC2)C2CC2)s1 ZINC000660254220 411341752 /nfs/dbraw/zinc/34/17/52/411341752.db2.gz QQCIQTDDHZEEIK-ZDUSSCGKSA-N 0 3 248.395 3.458 20 0 BGADHN CC[C@@H](NCC1CC=CC1)c1nc(C)cs1 ZINC000660254391 411560711 /nfs/dbraw/zinc/56/07/11/411560711.db2.gz QBIJBIJMGWRYBZ-GFCCVEGCSA-N 0 3 236.384 3.458 20 0 BGADHN CC[C@H](NCC1CC=CC1)c1nc(C)cs1 ZINC000660254392 411560728 /nfs/dbraw/zinc/56/07/28/411560728.db2.gz QBIJBIJMGWRYBZ-LBPRGKRZSA-N 0 3 236.384 3.458 20 0 BGADHN CC(C)(C)[C@@H]1CCN(Cc2cc(C3CC3)no2)C1 ZINC000660254616 411560940 /nfs/dbraw/zinc/56/09/40/411560940.db2.gz OBXZDRDCEARRSG-GFCCVEGCSA-N 0 3 248.370 3.420 20 0 BGADHN CC(C)(C)[C@H]1CCN(Cc2cc(C3CC3)no2)C1 ZINC000660254617 411560957 /nfs/dbraw/zinc/56/09/57/411560957.db2.gz OBXZDRDCEARRSG-LBPRGKRZSA-N 0 3 248.370 3.420 20 0 BGADHN Cc1nc(CN2CC[C@@H](C(C)(C)C)C2)c(C)o1 ZINC000660255368 411560772 /nfs/dbraw/zinc/56/07/72/411560772.db2.gz SLMZZVDLPZABDL-GFCCVEGCSA-N 0 3 236.359 3.159 20 0 BGADHN Cc1nc(CN2CC[C@H](C(C)(C)C)C2)c(C)o1 ZINC000660255369 411560610 /nfs/dbraw/zinc/56/06/10/411560610.db2.gz SLMZZVDLPZABDL-LBPRGKRZSA-N 0 3 236.359 3.159 20 0 BGADHN COCC[C@@H](NCCC=C(C)C)c1ccco1 ZINC000660255720 411560963 /nfs/dbraw/zinc/56/09/63/411560963.db2.gz FLSGZLIAXWFQGT-CYBMUJFWSA-N 0 3 237.343 3.303 20 0 BGADHN COCC[C@H](NCCC=C(C)C)c1ccco1 ZINC000660255721 411560959 /nfs/dbraw/zinc/56/09/59/411560959.db2.gz FLSGZLIAXWFQGT-ZDUSSCGKSA-N 0 3 237.343 3.303 20 0 BGADHN COCC[C@@H](NCCC1CCC1)c1ccco1 ZINC000660256423 411560944 /nfs/dbraw/zinc/56/09/44/411560944.db2.gz MBPBAUNBWCJBGH-CYBMUJFWSA-N 0 3 237.343 3.137 20 0 BGADHN COCC[C@H](NCCC1CCC1)c1ccco1 ZINC000660256424 411560775 /nfs/dbraw/zinc/56/07/75/411560775.db2.gz MBPBAUNBWCJBGH-ZDUSSCGKSA-N 0 3 237.343 3.137 20 0 BGADHN C[C@H]1CCCC[C@@H]1NCc1cc(C2CC2)no1 ZINC000660257116 411560665 /nfs/dbraw/zinc/56/06/65/411560665.db2.gz NTSKRFNQUMEZIT-GWCFXTLKSA-N 0 3 234.343 3.220 20 0 BGADHN C[C@H]1CCCC[C@H]1NCc1cc(C2CC2)no1 ZINC000660257117 411560648 /nfs/dbraw/zinc/56/06/48/411560648.db2.gz NTSKRFNQUMEZIT-GXFFZTMASA-N 0 3 234.343 3.220 20 0 BGADHN C[C@@H]1CCCC[C@@H]1NCc1cc(C2CC2)no1 ZINC000660257118 411560657 /nfs/dbraw/zinc/56/06/57/411560657.db2.gz NTSKRFNQUMEZIT-MFKMUULPSA-N 0 3 234.343 3.220 20 0 BGADHN C[C@@H]1CCCC[C@H]1NCc1cc(C2CC2)no1 ZINC000660257119 411560878 /nfs/dbraw/zinc/56/08/78/411560878.db2.gz NTSKRFNQUMEZIT-ZWNOBZJWSA-N 0 3 234.343 3.220 20 0 BGADHN Cc1csc(C2(NCC3CC=CC3)CCC2)n1 ZINC000660262377 411561490 /nfs/dbraw/zinc/56/14/90/411561490.db2.gz GRHXJYFIFFEAFI-UHFFFAOYSA-N 0 3 248.395 3.387 20 0 BGADHN Cc1cc([C@@H](C)NCc2cccc(N)c2)c(C)o1 ZINC000660262514 411349948 /nfs/dbraw/zinc/34/99/48/411349948.db2.gz IHRWHXWXLGRULW-LLVKDONJSA-N 0 3 244.338 3.329 20 0 BGADHN Cc1cc([C@H](C)NCc2cccc(N)c2)c(C)o1 ZINC000660262515 411350123 /nfs/dbraw/zinc/35/01/23/411350123.db2.gz IHRWHXWXLGRULW-NSHDSACASA-N 0 3 244.338 3.329 20 0 BGADHN Cc1ccc([C@@H](C)NCc2cccc(N)c2)s1 ZINC000660262733 411561241 /nfs/dbraw/zinc/56/12/41/411561241.db2.gz GYQVMRXRAKJNGG-LLVKDONJSA-N 0 3 246.379 3.490 20 0 BGADHN Cc1ccc([C@H](C)NCc2cccc(N)c2)s1 ZINC000660262734 411561580 /nfs/dbraw/zinc/56/15/80/411561580.db2.gz GYQVMRXRAKJNGG-NSHDSACASA-N 0 3 246.379 3.490 20 0 BGADHN Cc1cnc(C(C)(C)NCCC2CCC2)s1 ZINC000660263287 411350843 /nfs/dbraw/zinc/35/08/43/411350843.db2.gz NNNHMIOICCHELM-UHFFFAOYSA-N 0 3 238.400 3.466 20 0 BGADHN Cc1cnc(C(C)(C)NCC2CC=CC2)s1 ZINC000660263615 411561987 /nfs/dbraw/zinc/56/19/87/411561987.db2.gz PWGIJOLHFZSRGY-UHFFFAOYSA-N 0 3 236.384 3.242 20 0 BGADHN CCCC[C@H]1CCC[C@H]1NCc1coc(C)n1 ZINC000660264019 411561995 /nfs/dbraw/zinc/56/19/95/411561995.db2.gz STWNIXRZWWNAIR-GXTWGEPZSA-N 0 3 236.359 3.432 20 0 BGADHN CCCC[C@H]1CCC[C@@H]1NCc1coc(C)n1 ZINC000660264021 411562036 /nfs/dbraw/zinc/56/20/36/411562036.db2.gz STWNIXRZWWNAIR-JSGCOSHPSA-N 0 3 236.359 3.432 20 0 BGADHN CCCC[C@@H]1CCC[C@@H]1NCc1coc(C)n1 ZINC000660264023 411562199 /nfs/dbraw/zinc/56/21/99/411562199.db2.gz STWNIXRZWWNAIR-OCCSQVGLSA-N 0 3 236.359 3.432 20 0 BGADHN CCCC[C@@H]1CCC[C@H]1NCc1coc(C)n1 ZINC000660264026 411561964 /nfs/dbraw/zinc/56/19/64/411561964.db2.gz STWNIXRZWWNAIR-TZMCWYRMSA-N 0 3 236.359 3.432 20 0 BGADHN Cc1nc(CN[C@H]2CCCC[C@H]2C(C)C)co1 ZINC000660264969 411562105 /nfs/dbraw/zinc/56/21/05/411562105.db2.gz DPUYOJGPIHOCAA-KBPBESRZSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1nc(CN[C@H]2CCCC[C@@H]2C(C)C)co1 ZINC000660264970 411561791 /nfs/dbraw/zinc/56/17/91/411561791.db2.gz DPUYOJGPIHOCAA-KGLIPLIRSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1nc(CN[C@@H]2CCCC[C@H]2C(C)C)co1 ZINC000660264971 411561861 /nfs/dbraw/zinc/56/18/61/411561861.db2.gz DPUYOJGPIHOCAA-UONOGXRCSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1nc(CN[C@@H]2CCCC[C@@H]2C(C)C)co1 ZINC000660264973 411561911 /nfs/dbraw/zinc/56/19/11/411561911.db2.gz DPUYOJGPIHOCAA-ZIAGYGMSSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1csc([C@H](C)NCC2CC=CC2)n1 ZINC000660266182 411562093 /nfs/dbraw/zinc/56/20/93/411562093.db2.gz OFTVRKHDULKMPJ-JTQLQIEISA-N 0 3 222.357 3.068 20 0 BGADHN Cc1csc([C@@H](C)NCC2CC=CC2)n1 ZINC000660266184 411561886 /nfs/dbraw/zinc/56/18/86/411561886.db2.gz OFTVRKHDULKMPJ-SNVBAGLBSA-N 0 3 222.357 3.068 20 0 BGADHN CC(C)=CCCN[C@H](C)c1nc(C)cs1 ZINC000660266207 411561832 /nfs/dbraw/zinc/56/18/32/411561832.db2.gz OKTOVNMUFMPUCF-LLVKDONJSA-N 0 3 224.373 3.458 20 0 BGADHN CC(C)=CCCN[C@@H](C)c1nc(C)cs1 ZINC000660266208 411561949 /nfs/dbraw/zinc/56/19/49/411561949.db2.gz OKTOVNMUFMPUCF-NSHDSACASA-N 0 3 224.373 3.458 20 0 BGADHN C[C@H](NCc1cc(C2CC2)no1)C1CCCC1 ZINC000660266396 411561828 /nfs/dbraw/zinc/56/18/28/411561828.db2.gz BBVFCZUJZRIBMB-JTQLQIEISA-N 0 3 234.343 3.220 20 0 BGADHN C[C@@H](NCc1cc(C2CC2)no1)C1CCCC1 ZINC000660266397 411562027 /nfs/dbraw/zinc/56/20/27/411562027.db2.gz BBVFCZUJZRIBMB-SNVBAGLBSA-N 0 3 234.343 3.220 20 0 BGADHN Cc1nc([C@@H](C)NCC2CC=CC2)cs1 ZINC000660266424 411561787 /nfs/dbraw/zinc/56/17/87/411561787.db2.gz BYRIIMQFCBYANB-SECBINFHSA-N 0 3 222.357 3.068 20 0 BGADHN Cc1nc([C@H](C)NCC2CC=CC2)cs1 ZINC000660266425 411561872 /nfs/dbraw/zinc/56/18/72/411561872.db2.gz BYRIIMQFCBYANB-VIFPVBQESA-N 0 3 222.357 3.068 20 0 BGADHN Cc1csc([C@@H](C)NC[C@@H]2C[C@H]3C[C@H]3C2)n1 ZINC000660266506 411561799 /nfs/dbraw/zinc/56/17/99/411561799.db2.gz RGKQQQVGWYJSNT-WISYIIOYSA-N 0 3 236.384 3.148 20 0 BGADHN Cc1csc([C@H](C)NC[C@@H]2C[C@H]3C[C@H]3C2)n1 ZINC000660266507 411561914 /nfs/dbraw/zinc/56/19/14/411561914.db2.gz RGKQQQVGWYJSNT-YFKTTZPYSA-N 0 3 236.384 3.148 20 0 BGADHN CCc1nc([C@H](C)NCC2CC=CC2)cs1 ZINC000660267662 411561849 /nfs/dbraw/zinc/56/18/49/411561849.db2.gz TYPMCHKPWDMZON-JTQLQIEISA-N 0 3 236.384 3.322 20 0 BGADHN CCc1nc([C@@H](C)NCC2CC=CC2)cs1 ZINC000660267663 411561016 /nfs/dbraw/zinc/56/10/16/411561016.db2.gz TYPMCHKPWDMZON-SNVBAGLBSA-N 0 3 236.384 3.322 20 0 BGADHN Cc1cnc([C@H](C)NCC2CC=CC2)s1 ZINC000660267773 411562507 /nfs/dbraw/zinc/56/25/07/411562507.db2.gz AQDLWRSYFZJHPJ-JTQLQIEISA-N 0 3 222.357 3.068 20 0 BGADHN Cc1cnc([C@@H](C)NCC2CC=CC2)s1 ZINC000660267775 411562619 /nfs/dbraw/zinc/56/26/19/411562619.db2.gz AQDLWRSYFZJHPJ-SNVBAGLBSA-N 0 3 222.357 3.068 20 0 BGADHN CC(C)=CCCN[C@H](C)c1ncc(C)s1 ZINC000660268914 411562288 /nfs/dbraw/zinc/56/22/88/411562288.db2.gz JJGSNXYRNJSBNL-LLVKDONJSA-N 0 3 224.373 3.458 20 0 BGADHN CC(C)=CCCN[C@@H](C)c1ncc(C)s1 ZINC000660268916 411562690 /nfs/dbraw/zinc/56/26/90/411562690.db2.gz JJGSNXYRNJSBNL-NSHDSACASA-N 0 3 224.373 3.458 20 0 BGADHN Cc1cnc([C@@H](C)NC[C@@H]2C[C@H]3C[C@H]3C2)s1 ZINC000660269758 411562658 /nfs/dbraw/zinc/56/26/58/411562658.db2.gz OHUOSRDRMMCKEZ-WISYIIOYSA-N 0 3 236.384 3.148 20 0 BGADHN Cc1cnc([C@H](C)NC[C@@H]2C[C@H]3C[C@H]3C2)s1 ZINC000660269762 411562266 /nfs/dbraw/zinc/56/22/66/411562266.db2.gz OHUOSRDRMMCKEZ-YFKTTZPYSA-N 0 3 236.384 3.148 20 0 BGADHN CCC[C@@H]1CCCCN1Cc1nc(C)oc1C ZINC000660275629 411564151 /nfs/dbraw/zinc/56/41/51/411564151.db2.gz CWLOCYLLLNQFOD-CYBMUJFWSA-N 0 3 236.359 3.446 20 0 BGADHN CCC[C@H]1CCCCN1Cc1nc(C)oc1C ZINC000660275630 411561343 /nfs/dbraw/zinc/56/13/43/411561343.db2.gz CWLOCYLLLNQFOD-ZDUSSCGKSA-N 0 3 236.359 3.446 20 0 BGADHN CCC[C@@H]1CCCCN1Cc1conc1CC ZINC000660275972 411563736 /nfs/dbraw/zinc/56/37/36/411563736.db2.gz JHIDSKIETYYCFY-CYBMUJFWSA-N 0 3 236.359 3.392 20 0 BGADHN CCC[C@H]1CCCCN1Cc1conc1CC ZINC000660275973 411361092 /nfs/dbraw/zinc/36/10/92/411361092.db2.gz JHIDSKIETYYCFY-ZDUSSCGKSA-N 0 3 236.359 3.392 20 0 BGADHN CCN(CCC1CC1)Cc1cc(C2CC2)no1 ZINC000660276647 411564101 /nfs/dbraw/zinc/56/41/01/411564101.db2.gz FOWROBBPFJSHDH-UHFFFAOYSA-N 0 3 234.343 3.174 20 0 BGADHN C[C@@H]1CCN(Cc2cc(C3CC3)no2)CC1(C)C ZINC000660276699 411362056 /nfs/dbraw/zinc/36/20/56/411362056.db2.gz GIOTUDDUICHYGK-LLVKDONJSA-N 0 3 248.370 3.420 20 0 BGADHN C[C@H]1CCN(Cc2cc(C3CC3)no2)CC1(C)C ZINC000660276700 411362281 /nfs/dbraw/zinc/36/22/81/411362281.db2.gz GIOTUDDUICHYGK-NSHDSACASA-N 0 3 248.370 3.420 20 0 BGADHN CCC[C@H]1CCCCN1Cc1cc(C)nc(C)n1 ZINC000660277031 411362343 /nfs/dbraw/zinc/36/23/43/411362343.db2.gz UGQPENDXBRXRES-HNNXBMFYSA-N 0 3 247.386 3.248 20 0 BGADHN CCC[C@@H]1CCCCN1Cc1cc(C)nc(C)n1 ZINC000660277038 411362386 /nfs/dbraw/zinc/36/23/86/411362386.db2.gz UGQPENDXBRXRES-OAHLLOKOSA-N 0 3 247.386 3.248 20 0 BGADHN C[C@@H]1CCC[C@H](NCc2cc(C3CC3)no2)[C@@H]1C ZINC000660303962 411566264 /nfs/dbraw/zinc/56/62/64/411566264.db2.gz AKXKSLKSDIXADQ-GYSYKLTISA-N 0 3 248.370 3.466 20 0 BGADHN C[C@@H]1CCC[C@@H](NCc2cc(C3CC3)no2)[C@@H]1C ZINC000660303963 411566450 /nfs/dbraw/zinc/56/64/50/411566450.db2.gz AKXKSLKSDIXADQ-JTNHKYCSSA-N 0 3 248.370 3.466 20 0 BGADHN C[C@@H]1CCC[C@H](NCc2cc(C3CC3)no2)[C@H]1C ZINC000660303964 411396794 /nfs/dbraw/zinc/39/67/94/411396794.db2.gz AKXKSLKSDIXADQ-SUNKGSAMSA-N 0 3 248.370 3.466 20 0 BGADHN C[C@@H]1CCC[C@@H](NCc2cc(C3CC3)no2)[C@H]1C ZINC000660303965 411396446 /nfs/dbraw/zinc/39/64/46/411396446.db2.gz AKXKSLKSDIXADQ-UHIISALHSA-N 0 3 248.370 3.466 20 0 BGADHN Cc1nc(CN[C@@H]2CCC[C@@H](C)[C@@H]2C)c(C)o1 ZINC000660305671 411566483 /nfs/dbraw/zinc/56/64/83/411566483.db2.gz LYNMJUUDDMYEDO-GBIKHYSHSA-N 0 3 236.359 3.206 20 0 BGADHN Cc1nc(CN[C@@H]2CCC[C@@H](C)[C@H]2C)c(C)o1 ZINC000660305672 411566479 /nfs/dbraw/zinc/56/64/79/411566479.db2.gz LYNMJUUDDMYEDO-GIPNMCIBSA-N 0 3 236.359 3.206 20 0 BGADHN Cc1nc(CN[C@@H]2CCC[C@H](C)[C@H]2C)c(C)o1 ZINC000660305673 411566709 /nfs/dbraw/zinc/56/67/09/411566709.db2.gz LYNMJUUDDMYEDO-OPQQBVKSSA-N 0 3 236.359 3.206 20 0 BGADHN Cc1nc(CN[C@@H]2CCC[C@H](C)[C@@H]2C)c(C)o1 ZINC000660305674 411398031 /nfs/dbraw/zinc/39/80/31/411398031.db2.gz LYNMJUUDDMYEDO-OUJBWJOFSA-N 0 3 236.359 3.206 20 0 BGADHN CC[C@@H]1CCCC[C@H]1NCc1nc(C)oc1C ZINC000660306058 411566719 /nfs/dbraw/zinc/56/67/19/411566719.db2.gz NRXDYTWNUCYMIB-CHWSQXEVSA-N 0 3 236.359 3.350 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1NCc1nc(C)oc1C ZINC000660306060 411566817 /nfs/dbraw/zinc/56/68/17/411566817.db2.gz NRXDYTWNUCYMIB-OLZOCXBDSA-N 0 3 236.359 3.350 20 0 BGADHN CC[C@H]1CCCC[C@H]1NCc1nc(C)oc1C ZINC000660306062 411566568 /nfs/dbraw/zinc/56/65/68/411566568.db2.gz NRXDYTWNUCYMIB-QWHCGFSZSA-N 0 3 236.359 3.350 20 0 BGADHN CC[C@H]1CCCC[C@@H]1NCc1nc(C)oc1C ZINC000660306063 411566261 /nfs/dbraw/zinc/56/62/61/411566261.db2.gz NRXDYTWNUCYMIB-STQMWFEESA-N 0 3 236.359 3.350 20 0 BGADHN CCC[C@H]1CCCC[C@H]1NCc1coc(C)n1 ZINC000660306580 411567372 /nfs/dbraw/zinc/56/73/72/411567372.db2.gz RJAWPJSPACGJPU-GXTWGEPZSA-N 0 3 236.359 3.432 20 0 BGADHN CCC[C@H]1CCCC[C@@H]1NCc1coc(C)n1 ZINC000660306582 411567455 /nfs/dbraw/zinc/56/74/55/411567455.db2.gz RJAWPJSPACGJPU-JSGCOSHPSA-N 0 3 236.359 3.432 20 0 BGADHN CCC[C@@H]1CCCC[C@@H]1NCc1coc(C)n1 ZINC000660306584 411566954 /nfs/dbraw/zinc/56/69/54/411566954.db2.gz RJAWPJSPACGJPU-OCCSQVGLSA-N 0 3 236.359 3.432 20 0 BGADHN CCC[C@@H]1CCCC[C@H]1NCc1coc(C)n1 ZINC000660306586 411567481 /nfs/dbraw/zinc/56/74/81/411567481.db2.gz RJAWPJSPACGJPU-TZMCWYRMSA-N 0 3 236.359 3.432 20 0 BGADHN Cc1nc(CN[C@@H]2CCCCC2(C)C)c(C)o1 ZINC000660306790 411567211 /nfs/dbraw/zinc/56/72/11/411567211.db2.gz SGBPFTAWTNQGHD-CYBMUJFWSA-N 0 3 236.359 3.350 20 0 BGADHN Cc1nc(CN[C@H]2CCCCC2(C)C)c(C)o1 ZINC000660306792 411567112 /nfs/dbraw/zinc/56/71/12/411567112.db2.gz SGBPFTAWTNQGHD-ZDUSSCGKSA-N 0 3 236.359 3.350 20 0 BGADHN C[C@@H]1CC[C@H](NCc2cc(C3CC3)no2)[C@H](C)C1 ZINC000660307287 411566962 /nfs/dbraw/zinc/56/69/62/411566962.db2.gz VZVCZWVRDPFMCF-GYSYKLTISA-N 0 3 248.370 3.466 20 0 BGADHN C[C@@H]1CC[C@@H](NCc2cc(C3CC3)no2)[C@H](C)C1 ZINC000660307288 411567000 /nfs/dbraw/zinc/56/70/00/411567000.db2.gz VZVCZWVRDPFMCF-JTNHKYCSSA-N 0 3 248.370 3.466 20 0 BGADHN C[C@@H]1CC[C@H](NCc2cc(C3CC3)no2)[C@@H](C)C1 ZINC000660307289 411567359 /nfs/dbraw/zinc/56/73/59/411567359.db2.gz VZVCZWVRDPFMCF-SUNKGSAMSA-N 0 3 248.370 3.466 20 0 BGADHN C[C@@H]1CC[C@@H](NCc2cc(C3CC3)no2)[C@@H](C)C1 ZINC000660307290 411567287 /nfs/dbraw/zinc/56/72/87/411567287.db2.gz VZVCZWVRDPFMCF-UHIISALHSA-N 0 3 248.370 3.466 20 0 BGADHN CC[C@H]1CCCC[C@@H]1NCc1coc(C)n1 ZINC000660307828 411567105 /nfs/dbraw/zinc/56/71/05/411567105.db2.gz WVNHSSUZCFIOOW-AAEUAGOBSA-N 0 3 222.332 3.041 20 0 BGADHN CC[C@@H]1CCCC[C@H]1NCc1coc(C)n1 ZINC000660307832 411567542 /nfs/dbraw/zinc/56/75/42/411567542.db2.gz WVNHSSUZCFIOOW-DGCLKSJQSA-N 0 3 222.332 3.041 20 0 BGADHN CC[C@H]1CCCC[C@H]1NCc1coc(C)n1 ZINC000660307834 411567345 /nfs/dbraw/zinc/56/73/45/411567345.db2.gz WVNHSSUZCFIOOW-WCQYABFASA-N 0 3 222.332 3.041 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1NCc1coc(C)n1 ZINC000660307835 411567300 /nfs/dbraw/zinc/56/73/00/411567300.db2.gz WVNHSSUZCFIOOW-YPMHNXCESA-N 0 3 222.332 3.041 20 0 BGADHN CCc1nocc1CN[C@@H]1CC[C@H](C)C[C@@H]1C ZINC000660307967 490232547 /nfs/dbraw/zinc/23/25/47/490232547.db2.gz XMNSRNBBLPTOFM-COPLHBTASA-N 0 3 236.359 3.151 20 0 BGADHN CCc1nocc1CN[C@@H]1CC[C@@H](C)C[C@H]1C ZINC000660307975 411400776 /nfs/dbraw/zinc/40/07/76/411400776.db2.gz XMNSRNBBLPTOFM-JTNHKYCSSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1nocc1CN[C@@H]1CC[C@H](C)C[C@H]1C ZINC000660307977 411400756 /nfs/dbraw/zinc/40/07/56/411400756.db2.gz XMNSRNBBLPTOFM-MISXGVKJSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1nocc1CN[C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000660307982 411400099 /nfs/dbraw/zinc/40/00/99/411400099.db2.gz XMNSRNBBLPTOFM-UHIISALHSA-N 0 3 236.359 3.151 20 0 BGADHN Cc1nc(CN[C@@H]2CC[C@@H](C)C[C@@H]2C)c(C)o1 ZINC000660308183 411567087 /nfs/dbraw/zinc/56/70/87/411567087.db2.gz ZDCIZGPZGCSHGV-GBIKHYSHSA-N 0 3 236.359 3.206 20 0 BGADHN Cc1nc(CN[C@@H]2CC[C@@H](C)C[C@H]2C)c(C)o1 ZINC000660308184 411567485 /nfs/dbraw/zinc/56/74/85/411567485.db2.gz ZDCIZGPZGCSHGV-GIPNMCIBSA-N 0 3 236.359 3.206 20 0 BGADHN Cc1nc(CN[C@@H]2CC[C@H](C)C[C@H]2C)c(C)o1 ZINC000660308186 411567325 /nfs/dbraw/zinc/56/73/25/411567325.db2.gz ZDCIZGPZGCSHGV-OPQQBVKSSA-N 0 3 236.359 3.206 20 0 BGADHN Cc1nc(CN[C@@H]2CC[C@H](C)C[C@@H]2C)c(C)o1 ZINC000660308189 411567246 /nfs/dbraw/zinc/56/72/46/411567246.db2.gz ZDCIZGPZGCSHGV-OUJBWJOFSA-N 0 3 236.359 3.206 20 0 BGADHN C[C@@H]1CCCCN(Cc2cc(C3CC3)no2)C1 ZINC000660310575 411567323 /nfs/dbraw/zinc/56/73/23/411567323.db2.gz OCYMJKFTZABPKP-LLVKDONJSA-N 0 3 234.343 3.174 20 0 BGADHN C[C@H]1CCCCN(Cc2cc(C3CC3)no2)C1 ZINC000660310576 411567561 /nfs/dbraw/zinc/56/75/61/411567561.db2.gz OCYMJKFTZABPKP-NSHDSACASA-N 0 3 234.343 3.174 20 0 BGADHN Cc1nc(CN[C@H]2CCC(C)(C)C[C@@H]2C)co1 ZINC000660310661 411566929 /nfs/dbraw/zinc/56/69/29/411566929.db2.gz CEWNDAOKVLXOPP-GWCFXTLKSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1nc(CN[C@@H]2CCC(C)(C)C[C@@H]2C)co1 ZINC000660310662 411567279 /nfs/dbraw/zinc/56/72/79/411567279.db2.gz CEWNDAOKVLXOPP-GXFFZTMASA-N 0 3 236.359 3.287 20 0 BGADHN Cc1nc(CN[C@H]2CCC(C)(C)C[C@H]2C)co1 ZINC000660310663 411567037 /nfs/dbraw/zinc/56/70/37/411567037.db2.gz CEWNDAOKVLXOPP-MFKMUULPSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1nc(CN[C@@H]2CCC(C)(C)C[C@H]2C)co1 ZINC000660310664 411405122 /nfs/dbraw/zinc/40/51/22/411405122.db2.gz CEWNDAOKVLXOPP-ZWNOBZJWSA-N 0 3 236.359 3.287 20 0 BGADHN CC[C@H]1[C@@H](C)CCN1Cc1cc(C2CC2)no1 ZINC000660317476 411568091 /nfs/dbraw/zinc/56/80/91/411568091.db2.gz PZILPIFOODQOKM-HZMBPMFUSA-N 0 3 234.343 3.172 20 0 BGADHN CC[C@@H]1[C@@H](C)CCN1Cc1cc(C2CC2)no1 ZINC000660317478 411568242 /nfs/dbraw/zinc/56/82/42/411568242.db2.gz PZILPIFOODQOKM-IINYFYTJSA-N 0 3 234.343 3.172 20 0 BGADHN CC[C@@H]1[C@H](C)CCN1Cc1cc(C2CC2)no1 ZINC000660317480 411567917 /nfs/dbraw/zinc/56/79/17/411567917.db2.gz PZILPIFOODQOKM-QMTHXVAHSA-N 0 3 234.343 3.172 20 0 BGADHN CC[C@H]1[C@H](C)CCN1Cc1cc(C2CC2)no1 ZINC000660317481 411567922 /nfs/dbraw/zinc/56/79/22/411567922.db2.gz PZILPIFOODQOKM-YGRLFVJLSA-N 0 3 234.343 3.172 20 0 BGADHN CC(C)c1cccc(CN2CC[C@H](O)[C@@H](C)C2)c1 ZINC000660329782 411570440 /nfs/dbraw/zinc/57/04/40/411570440.db2.gz FKZLJAXUVAIXBA-BBRMVZONSA-N 0 3 247.382 3.013 20 0 BGADHN CC(C)c1cccc(CN2CC[C@H](O)[C@H](C)C2)c1 ZINC000660329784 411570084 /nfs/dbraw/zinc/57/00/84/411570084.db2.gz FKZLJAXUVAIXBA-CJNGLKHVSA-N 0 3 247.382 3.013 20 0 BGADHN CC(C)c1cccc(CN2CC[C@@H](O)[C@H](C)C2)c1 ZINC000660329785 411570539 /nfs/dbraw/zinc/57/05/39/411570539.db2.gz FKZLJAXUVAIXBA-CZUORRHYSA-N 0 3 247.382 3.013 20 0 BGADHN CC(C)c1cccc(CN2CC[C@@H](O)[C@@H](C)C2)c1 ZINC000660329787 411570037 /nfs/dbraw/zinc/57/00/37/411570037.db2.gz FKZLJAXUVAIXBA-XJKSGUPXSA-N 0 3 247.382 3.013 20 0 BGADHN CCN(Cc1coc(C)n1)[C@@H]1CCCC[C@H]1C ZINC000660366979 411572742 /nfs/dbraw/zinc/57/27/42/411572742.db2.gz COCCMYXMXNUILZ-BXUZGUMPSA-N 0 3 236.359 3.384 20 0 BGADHN CCN(Cc1coc(C)n1)[C@H]1CCCC[C@@H]1C ZINC000660366981 411572773 /nfs/dbraw/zinc/57/27/73/411572773.db2.gz COCCMYXMXNUILZ-FZMZJTMJSA-N 0 3 236.359 3.384 20 0 BGADHN CCN(Cc1coc(C)n1)[C@H]1CCCC[C@H]1C ZINC000660366985 411572931 /nfs/dbraw/zinc/57/29/31/411572931.db2.gz COCCMYXMXNUILZ-RISCZKNCSA-N 0 3 236.359 3.384 20 0 BGADHN CCN(Cc1coc(C)n1)[C@@H]1CCCC[C@@H]1C ZINC000660366987 411572474 /nfs/dbraw/zinc/57/24/74/411572474.db2.gz COCCMYXMXNUILZ-SMDDNHRTSA-N 0 3 236.359 3.384 20 0 BGADHN Cc1cc(CN(C)[C@H]2CCCC[C@H]2C)nc(C)n1 ZINC000660367677 411572716 /nfs/dbraw/zinc/57/27/16/411572716.db2.gz LSJWBDNGPQZAEX-ABAIWWIYSA-N 0 3 247.386 3.104 20 0 BGADHN Cc1cc(CN(C)[C@@H]2CCCC[C@H]2C)nc(C)n1 ZINC000660367678 411572915 /nfs/dbraw/zinc/57/29/15/411572915.db2.gz LSJWBDNGPQZAEX-IAQYHMDHSA-N 0 3 247.386 3.104 20 0 BGADHN Cc1cc(CN(C)[C@H]2CCCC[C@@H]2C)nc(C)n1 ZINC000660367679 411572695 /nfs/dbraw/zinc/57/26/95/411572695.db2.gz LSJWBDNGPQZAEX-NHYWBVRUSA-N 0 3 247.386 3.104 20 0 BGADHN Cc1cc(CN(C)[C@@H]2CCCC[C@@H]2C)nc(C)n1 ZINC000660367680 411572632 /nfs/dbraw/zinc/57/26/32/411572632.db2.gz LSJWBDNGPQZAEX-XHDPSFHLSA-N 0 3 247.386 3.104 20 0 BGADHN CCc1nocc1CN(C)[C@@H]1CCCC[C@H]1C ZINC000660367854 411572837 /nfs/dbraw/zinc/57/28/37/411572837.db2.gz NCOQJACIEUEVMY-BXUZGUMPSA-N 0 3 236.359 3.248 20 0 BGADHN CCc1nocc1CN(C)[C@H]1CCCC[C@@H]1C ZINC000660367855 411572994 /nfs/dbraw/zinc/57/29/94/411572994.db2.gz NCOQJACIEUEVMY-FZMZJTMJSA-N 0 3 236.359 3.248 20 0 BGADHN CCc1nocc1CN(C)[C@H]1CCCC[C@H]1C ZINC000660367856 411572665 /nfs/dbraw/zinc/57/26/65/411572665.db2.gz NCOQJACIEUEVMY-RISCZKNCSA-N 0 3 236.359 3.248 20 0 BGADHN CCc1nocc1CN(C)[C@@H]1CCCC[C@@H]1C ZINC000660367857 411572629 /nfs/dbraw/zinc/57/26/29/411572629.db2.gz NCOQJACIEUEVMY-SMDDNHRTSA-N 0 3 236.359 3.248 20 0 BGADHN Cc1nc(CN(C)[C@H]2CCCC[C@@H]2C)c(C)o1 ZINC000660368439 411573550 /nfs/dbraw/zinc/57/35/50/411573550.db2.gz RVMXLOZURWRPEZ-HZMBPMFUSA-N 0 3 236.359 3.302 20 0 BGADHN Cc1nc(CN(C)[C@@H]2CCCC[C@@H]2C)c(C)o1 ZINC000660368440 411573452 /nfs/dbraw/zinc/57/34/52/411573452.db2.gz RVMXLOZURWRPEZ-IINYFYTJSA-N 0 3 236.359 3.302 20 0 BGADHN Cc1nc(CN(C)[C@@H]2CCCC[C@H]2C)c(C)o1 ZINC000660368441 411573370 /nfs/dbraw/zinc/57/33/70/411573370.db2.gz RVMXLOZURWRPEZ-QMTHXVAHSA-N 0 3 236.359 3.302 20 0 BGADHN Cc1nc(CN(C)[C@H]2CCCC[C@H]2C)c(C)o1 ZINC000660368442 411573487 /nfs/dbraw/zinc/57/34/87/411573487.db2.gz RVMXLOZURWRPEZ-YGRLFVJLSA-N 0 3 236.359 3.302 20 0 BGADHN CC1(C)CCC[C@H]1NCc1cc(C2CC2)no1 ZINC000660369113 411573364 /nfs/dbraw/zinc/57/33/64/411573364.db2.gz ZFTZHHPZOUMIAI-CYBMUJFWSA-N 0 3 234.343 3.220 20 0 BGADHN CC1(C)CCC[C@@H]1NCc1cc(C2CC2)no1 ZINC000660369114 411573568 /nfs/dbraw/zinc/57/35/68/411573568.db2.gz ZFTZHHPZOUMIAI-ZDUSSCGKSA-N 0 3 234.343 3.220 20 0 BGADHN CC(C)[C@@H]1CCCN(Cc2cc(C3CC3)no2)C1 ZINC000660370253 411573479 /nfs/dbraw/zinc/57/34/79/411573479.db2.gz GZYIPJMORXXTKI-CYBMUJFWSA-N 0 3 248.370 3.420 20 0 BGADHN CC(C)[C@H]1CCCN(Cc2cc(C3CC3)no2)C1 ZINC000660370254 411573613 /nfs/dbraw/zinc/57/36/13/411573613.db2.gz GZYIPJMORXXTKI-ZDUSSCGKSA-N 0 3 248.370 3.420 20 0 BGADHN Cc1nc(CN2CCC[C@@H](C(C)C)C2)c(C)o1 ZINC000660371044 411442493 /nfs/dbraw/zinc/44/24/93/411442493.db2.gz OLUDJGXKAAWNMB-CYBMUJFWSA-N 0 3 236.359 3.159 20 0 BGADHN Cc1nc(CN2CCC[C@H](C(C)C)C2)c(C)o1 ZINC000660371045 411442527 /nfs/dbraw/zinc/44/25/27/411442527.db2.gz OLUDJGXKAAWNMB-ZDUSSCGKSA-N 0 3 236.359 3.159 20 0 BGADHN c1nc2c(s1)CN(CCCC1CCC1)CC2 ZINC000660373905 411574333 /nfs/dbraw/zinc/57/43/33/411574333.db2.gz DBGUHWKNMKFFLK-UHFFFAOYSA-N 0 3 236.384 3.082 20 0 BGADHN CC(C)c1cccc(CN(C)CC2(CO)CC2)c1 ZINC000660374267 411574197 /nfs/dbraw/zinc/57/41/97/411574197.db2.gz GGVMEKAZAGICBA-UHFFFAOYSA-N 0 3 247.382 3.014 20 0 BGADHN CC[C@H](CC(F)F)CN1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000660375441 411574803 /nfs/dbraw/zinc/57/48/03/411574803.db2.gz TZZBDTVTVVLZQF-FIQHERPVSA-N 0 3 249.345 3.166 20 0 BGADHN CC[C@H](CC(F)F)CN1C[C@H](C)O[C@H](C)[C@H]1C ZINC000660375442 411575169 /nfs/dbraw/zinc/57/51/69/411575169.db2.gz TZZBDTVTVVLZQF-IRCOFANPSA-N 0 3 249.345 3.166 20 0 BGADHN CC[C@H](CC(F)F)CN1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000660375443 411574952 /nfs/dbraw/zinc/57/49/52/411574952.db2.gz TZZBDTVTVVLZQF-NNYUYHANSA-N 0 3 249.345 3.166 20 0 BGADHN CC[C@H](CC(F)F)CN1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000660375444 411575358 /nfs/dbraw/zinc/57/53/58/411575358.db2.gz TZZBDTVTVVLZQF-WHOHXGKFSA-N 0 3 249.345 3.166 20 0 BGADHN CC[C@@H](CC(F)F)CN1CCO[C@@](C)(CC)C1 ZINC000660380352 411576652 /nfs/dbraw/zinc/57/66/52/411576652.db2.gz LPYDTBNBAOPEAG-AAEUAGOBSA-N 0 3 249.345 3.169 20 0 BGADHN CC[C@H](CC(F)F)CN1CCO[C@](C)(CC)C1 ZINC000660380358 411576814 /nfs/dbraw/zinc/57/68/14/411576814.db2.gz LPYDTBNBAOPEAG-DGCLKSJQSA-N 0 3 249.345 3.169 20 0 BGADHN CC[C@@H](CC(F)F)CN1CCO[C@](C)(CC)C1 ZINC000660380363 411576886 /nfs/dbraw/zinc/57/68/86/411576886.db2.gz LPYDTBNBAOPEAG-WCQYABFASA-N 0 3 249.345 3.169 20 0 BGADHN CC[C@H](CC(F)F)CN1CCO[C@@](C)(CC)C1 ZINC000660380366 411576866 /nfs/dbraw/zinc/57/68/66/411576866.db2.gz LPYDTBNBAOPEAG-YPMHNXCESA-N 0 3 249.345 3.169 20 0 BGADHN Cc1nc(CN2C[C@H](C)C[C@@H](C)[C@H]2C)c(C)o1 ZINC000660392726 411578595 /nfs/dbraw/zinc/57/85/95/411578595.db2.gz HZNLFMUOJNIPET-GMTAPVOTSA-N 0 3 236.359 3.158 20 0 BGADHN Cc1nc(CN2C[C@H](C)C[C@@H](C)[C@@H]2C)c(C)o1 ZINC000660392728 411578048 /nfs/dbraw/zinc/57/80/48/411578048.db2.gz HZNLFMUOJNIPET-MXWKQRLJSA-N 0 3 236.359 3.158 20 0 BGADHN Cc1nc(CN2C[C@H](C)C[C@H](C)[C@H]2C)c(C)o1 ZINC000660392729 411578659 /nfs/dbraw/zinc/57/86/59/411578659.db2.gz HZNLFMUOJNIPET-OUAUKWLOSA-N 0 3 236.359 3.158 20 0 BGADHN Cc1nc(CN2C[C@H](C)C[C@H](C)[C@@H]2C)c(C)o1 ZINC000660392730 411578632 /nfs/dbraw/zinc/57/86/32/411578632.db2.gz HZNLFMUOJNIPET-VWYCJHECSA-N 0 3 236.359 3.158 20 0 BGADHN CCC1(CC)CCCN(Cc2cn(C)cn2)CC1 ZINC000660393486 411578184 /nfs/dbraw/zinc/57/81/84/411578184.db2.gz YERXXEHCLRFOKB-UHFFFAOYSA-N 0 3 249.402 3.212 20 0 BGADHN C[C@@H]1C[C@H](C)[C@@H](C)N(Cc2cc(C3CC3)no2)C1 ZINC000660394186 411579333 /nfs/dbraw/zinc/57/93/33/411579333.db2.gz VPJBIDAAUIZKLG-GRYCIOLGSA-N 0 3 248.370 3.418 20 0 BGADHN C[C@@H]1C[C@@H](C)[C@@H](C)N(Cc2cc(C3CC3)no2)C1 ZINC000660394189 411579575 /nfs/dbraw/zinc/57/95/75/411579575.db2.gz VPJBIDAAUIZKLG-IJLUTSLNSA-N 0 3 248.370 3.418 20 0 BGADHN C[C@@H]1C[C@@H](C)[C@H](C)N(Cc2cc(C3CC3)no2)C1 ZINC000660394192 411579394 /nfs/dbraw/zinc/57/93/94/411579394.db2.gz VPJBIDAAUIZKLG-UTUOFQBUSA-N 0 3 248.370 3.418 20 0 BGADHN C[C@@H]1C[C@H](C)[C@H](C)N(Cc2cc(C3CC3)no2)C1 ZINC000660394194 411579124 /nfs/dbraw/zinc/57/91/24/411579124.db2.gz VPJBIDAAUIZKLG-WOPDTQHZSA-N 0 3 248.370 3.418 20 0 BGADHN CCc1nocc1CN1C[C@H](C)C[C@H](C)[C@H]1C ZINC000660394778 411579344 /nfs/dbraw/zinc/57/93/44/411579344.db2.gz YYIGVPYNWPFPIF-GRYCIOLGSA-N 0 3 236.359 3.103 20 0 BGADHN CCc1nocc1CN1C[C@H](C)C[C@@H](C)[C@H]1C ZINC000660394780 411579255 /nfs/dbraw/zinc/57/92/55/411579255.db2.gz YYIGVPYNWPFPIF-IJLUTSLNSA-N 0 3 236.359 3.103 20 0 BGADHN CCc1nocc1CN1C[C@H](C)C[C@@H](C)[C@@H]1C ZINC000660394781 411579366 /nfs/dbraw/zinc/57/93/66/411579366.db2.gz YYIGVPYNWPFPIF-UTUOFQBUSA-N 0 3 236.359 3.103 20 0 BGADHN CCc1nocc1CN1C[C@H](C)C[C@H](C)[C@@H]1C ZINC000660394782 411579561 /nfs/dbraw/zinc/57/95/61/411579561.db2.gz YYIGVPYNWPFPIF-WOPDTQHZSA-N 0 3 236.359 3.103 20 0 BGADHN CCCC1CCC(N(C)Cc2cn(C)cn2)CC1 ZINC000660400970 411579771 /nfs/dbraw/zinc/57/97/71/411579771.db2.gz PSSRICMSMFVFEB-UHFFFAOYSA-N 0 3 249.402 3.211 20 0 BGADHN CC[C@@H](CC(F)F)CN1CC(C)(C)OC[C@@H]1C ZINC000660406993 411580592 /nfs/dbraw/zinc/58/05/92/411580592.db2.gz KVJRFYXTWQBZDA-QWRGUYRKSA-N 0 3 249.345 3.167 20 0 BGADHN CC[C@H](CC(F)F)CN1CC(C)(C)OC[C@@H]1C ZINC000660406994 411580828 /nfs/dbraw/zinc/58/08/28/411580828.db2.gz KVJRFYXTWQBZDA-WDEREUQCSA-N 0 3 249.345 3.167 20 0 BGADHN CC[C@H]1CCC[C@@H]1NCc1cc(C2CC2)no1 ZINC000660411551 411581518 /nfs/dbraw/zinc/58/15/18/411581518.db2.gz ZRWWTKGFOZUDEW-GWCFXTLKSA-N 0 3 234.343 3.220 20 0 BGADHN CC[C@H]1CCC[C@H]1NCc1cc(C2CC2)no1 ZINC000660411552 411581619 /nfs/dbraw/zinc/58/16/19/411581619.db2.gz ZRWWTKGFOZUDEW-GXFFZTMASA-N 0 3 234.343 3.220 20 0 BGADHN CC[C@@H]1CCC[C@@H]1NCc1cc(C2CC2)no1 ZINC000660411553 411581209 /nfs/dbraw/zinc/58/12/09/411581209.db2.gz ZRWWTKGFOZUDEW-MFKMUULPSA-N 0 3 234.343 3.220 20 0 BGADHN CC[C@@H]1CCC[C@H]1NCc1cc(C2CC2)no1 ZINC000660411554 411581676 /nfs/dbraw/zinc/58/16/76/411581676.db2.gz ZRWWTKGFOZUDEW-ZWNOBZJWSA-N 0 3 234.343 3.220 20 0 BGADHN C[C@@H]1CC2(CCC2)CN1Cc1cc(C2CC2)no1 ZINC000660418015 411582171 /nfs/dbraw/zinc/58/21/71/411582171.db2.gz JPBDFTYSPVLEIM-LLVKDONJSA-N 0 3 246.354 3.317 20 0 BGADHN C[C@H]1CC2(CCC2)CN1Cc1cc(C2CC2)no1 ZINC000660418016 411581769 /nfs/dbraw/zinc/58/17/69/411581769.db2.gz JPBDFTYSPVLEIM-NSHDSACASA-N 0 3 246.354 3.317 20 0 BGADHN Cc1cc(CN(CC2CCC2)C(C)C)nc(C)n1 ZINC000660423551 411583503 /nfs/dbraw/zinc/58/35/03/411583503.db2.gz SDFZGMVYHGGQPW-UHFFFAOYSA-N 0 3 247.386 3.104 20 0 BGADHN Cc1nc(CN(CC2CCC2)C(C)C)c(C)o1 ZINC000660423944 411583640 /nfs/dbraw/zinc/58/36/40/411583640.db2.gz YBLFPCNBSBYXCP-UHFFFAOYSA-N 0 3 236.359 3.302 20 0 BGADHN C[C@@H]1CCCC[C@H]1CN1CCC[C@H]1c1cc[nH]n1 ZINC000660428260 411583651 /nfs/dbraw/zinc/58/36/51/411583651.db2.gz BPCUSQQWNTZKCB-IPYPFGDCSA-N 0 3 247.386 3.373 20 0 BGADHN C[C@@H]1CCCC[C@@H]1CN1CCC[C@H]1c1cc[nH]n1 ZINC000660428261 411583427 /nfs/dbraw/zinc/58/34/27/411583427.db2.gz BPCUSQQWNTZKCB-NFAWXSAZSA-N 0 3 247.386 3.373 20 0 BGADHN C[C@@H]1CCCC[C@@H]1CN1CCC[C@@H]1c1cc[nH]n1 ZINC000660428262 411583526 /nfs/dbraw/zinc/58/35/26/411583526.db2.gz BPCUSQQWNTZKCB-UMVBOHGHSA-N 0 3 247.386 3.373 20 0 BGADHN C[C@@H]1CCCC[C@H]1CN1CCC[C@@H]1c1cc[nH]n1 ZINC000660428263 411583567 /nfs/dbraw/zinc/58/35/67/411583567.db2.gz BPCUSQQWNTZKCB-VNHYZAJKSA-N 0 3 247.386 3.373 20 0 BGADHN c1cc([C@@H]2CCCN2CCCC2CCC2)n[nH]1 ZINC000660431161 411583570 /nfs/dbraw/zinc/58/35/70/411583570.db2.gz IJFLPPCTUHOLJR-AWEZNQCLSA-N 0 3 233.359 3.127 20 0 BGADHN c1cc([C@H]2CCCN2CCCC2CCC2)n[nH]1 ZINC000660431163 411583485 /nfs/dbraw/zinc/58/34/85/411583485.db2.gz IJFLPPCTUHOLJR-CQSZACIVSA-N 0 3 233.359 3.127 20 0 BGADHN CN(Cc1cc(C2CC2)no1)C1(C)CCCC1 ZINC000660433675 411584330 /nfs/dbraw/zinc/58/43/30/411584330.db2.gz CQXHCLISBOELDB-UHFFFAOYSA-N 0 3 234.343 3.317 20 0 BGADHN Cc1nc(CN(C)C2(C)CCCC2)c(C)o1 ZINC000660433732 411584366 /nfs/dbraw/zinc/58/43/66/411584366.db2.gz DSTQIYWUEKLHRM-UHFFFAOYSA-N 0 3 222.332 3.056 20 0 BGADHN CCc1nocc1CN(C)C1(C)CCCC1 ZINC000660435868 411584226 /nfs/dbraw/zinc/58/42/26/411584226.db2.gz RRDFQFJFFOXQGY-UHFFFAOYSA-N 0 3 222.332 3.002 20 0 BGADHN CC(C)c1cccc(CN2C[C@H](O)C(C)(C)C2)c1 ZINC000660443153 411585221 /nfs/dbraw/zinc/58/52/21/411585221.db2.gz CYWDQAPJPHQLQF-HNNXBMFYSA-N 0 3 247.382 3.013 20 0 BGADHN CC(C)c1cccc(CN2C[C@@H](O)C(C)(C)C2)c1 ZINC000660443154 411584799 /nfs/dbraw/zinc/58/47/99/411584799.db2.gz CYWDQAPJPHQLQF-OAHLLOKOSA-N 0 3 247.382 3.013 20 0 BGADHN C[C@@H]1C[C@@H](C)N1CCc1nsc2ccccc21 ZINC000660446228 411586256 /nfs/dbraw/zinc/58/62/56/411586256.db2.gz LLOJLFRLIAKJJP-GHMZBOCLSA-N 0 3 246.379 3.322 20 0 BGADHN C[C@@H]1C[C@H](C)N1CCc1nsc2ccccc21 ZINC000660446229 411586466 /nfs/dbraw/zinc/58/64/66/411586466.db2.gz LLOJLFRLIAKJJP-PHIMTYICSA-N 0 3 246.379 3.322 20 0 BGADHN C[C@H]1C[C@H](C)N1CCc1nsc2ccccc21 ZINC000660446230 411586476 /nfs/dbraw/zinc/58/64/76/411586476.db2.gz LLOJLFRLIAKJJP-QWRGUYRKSA-N 0 3 246.379 3.322 20 0 BGADHN CSc1cccc(CN2[C@H](C)C[C@H]2C)c1 ZINC000660448533 411586755 /nfs/dbraw/zinc/58/67/55/411586755.db2.gz SZRRIDXLJUTVCV-GHMZBOCLSA-N 0 3 221.369 3.391 20 0 BGADHN CSc1cccc(CN2[C@H](C)C[C@@H]2C)c1 ZINC000660448534 411586602 /nfs/dbraw/zinc/58/66/02/411586602.db2.gz SZRRIDXLJUTVCV-PHIMTYICSA-N 0 3 221.369 3.391 20 0 BGADHN CSc1cccc(CN2[C@@H](C)C[C@@H]2C)c1 ZINC000660448535 411586815 /nfs/dbraw/zinc/58/68/15/411586815.db2.gz SZRRIDXLJUTVCV-QWRGUYRKSA-N 0 3 221.369 3.391 20 0 BGADHN Cc1ccncc1CN(C)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000660451059 411586628 /nfs/dbraw/zinc/58/66/28/411586628.db2.gz OECKMWLEXVWGLY-KFWWJZLASA-N 0 3 244.382 3.258 20 0 BGADHN Cc1ccncc1CN(C)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000660451060 411586831 /nfs/dbraw/zinc/58/68/31/411586831.db2.gz OECKMWLEXVWGLY-QLFBSQMISA-N 0 3 244.382 3.258 20 0 BGADHN Cc1ccncc1CN(C)CCC1CCC1 ZINC000660452849 411165667 /nfs/dbraw/zinc/16/56/67/411165667.db2.gz IOXOQRNMQXDVEM-UHFFFAOYSA-N 0 3 218.344 3.012 20 0 BGADHN Cc1cc(CN(C)[C@H]2CCC(C)(C)C2)nc(C)n1 ZINC000660453914 411587167 /nfs/dbraw/zinc/58/71/67/411587167.db2.gz WXCSGTKSCOTCIF-AWEZNQCLSA-N 0 3 247.386 3.104 20 0 BGADHN Cc1cc(CN(C)[C@@H]2CCC(C)(C)C2)nc(C)n1 ZINC000660453916 411166116 /nfs/dbraw/zinc/16/61/16/411166116.db2.gz WXCSGTKSCOTCIF-CQSZACIVSA-N 0 3 247.386 3.104 20 0 BGADHN Cc1ccncc1CN(C)CCCC1CCC1 ZINC000660453944 411587561 /nfs/dbraw/zinc/58/75/61/411587561.db2.gz XANXZVATBDYRDW-UHFFFAOYSA-N 0 3 232.371 3.402 20 0 BGADHN CC(C)=CCCN(C)Cc1cnccc1C ZINC000660454184 411586537 /nfs/dbraw/zinc/58/65/37/411586537.db2.gz YLBLTTBJUVMQDX-UHFFFAOYSA-N 0 3 218.344 3.178 20 0 BGADHN Cc1nc(CN2CCC[C@@H](C(C)(C)C)C2)co1 ZINC000660454191 411166762 /nfs/dbraw/zinc/16/67/62/411166762.db2.gz WHHQQPOBDXINOT-GFCCVEGCSA-N 0 3 236.359 3.241 20 0 BGADHN Cc1nc(CN2CCC[C@H](C(C)(C)C)C2)co1 ZINC000660454198 411166771 /nfs/dbraw/zinc/16/67/71/411166771.db2.gz WHHQQPOBDXINOT-LBPRGKRZSA-N 0 3 236.359 3.241 20 0 BGADHN CCN(Cc1cc(C2CC2)no1)CC1CCC1 ZINC000660455242 411587437 /nfs/dbraw/zinc/58/74/37/411587437.db2.gz LRJCQXBOQSGXNX-UHFFFAOYSA-N 0 3 234.343 3.174 20 0 BGADHN Cc1nc(CN(CC2CC2)C2CCC2)c(C)o1 ZINC000660455775 488026756 /nfs/dbraw/zinc/02/67/56/488026756.db2.gz CEBAOBTZQPCYDH-UHFFFAOYSA-N 0 3 234.343 3.056 20 0 BGADHN CCc1nocc1CN(CC1CC1)CC1CCC1 ZINC000660455909 411587366 /nfs/dbraw/zinc/58/73/66/411587366.db2.gz DCJJDFHBWPFLGI-UHFFFAOYSA-N 0 3 248.370 3.249 20 0 BGADHN Cc1nc(CN(CC2CC2)CC2CCC2)c(C)o1 ZINC000660457190 411588487 /nfs/dbraw/zinc/58/84/87/411588487.db2.gz JXBHIPZVOSQYAV-UHFFFAOYSA-N 0 3 248.370 3.304 20 0 BGADHN CC1=C(C)CN(CCOCc2ccccc2)CC1 ZINC000660457340 411587892 /nfs/dbraw/zinc/58/78/92/411587892.db2.gz QGFGNVQOMDUJHD-UHFFFAOYSA-N 0 3 245.366 3.245 20 0 BGADHN c1c(CN(CC2CC2)C2CCC2)onc1C1CC1 ZINC000660458676 411587963 /nfs/dbraw/zinc/58/79/63/411587963.db2.gz ODQGQQYNOUQJIZ-UHFFFAOYSA-N 0 3 246.354 3.317 20 0 BGADHN Cn1nccc1[C@@H]1CCCCN1CCC1CCC1 ZINC000660463791 411589558 /nfs/dbraw/zinc/58/95/58/411589558.db2.gz ISUUNISKVKOKJQ-HNNXBMFYSA-N 0 3 247.386 3.137 20 0 BGADHN Cn1nccc1[C@H]1CCCCN1CCC1CCC1 ZINC000660463792 411589833 /nfs/dbraw/zinc/58/98/33/411589833.db2.gz ISUUNISKVKOKJQ-OAHLLOKOSA-N 0 3 247.386 3.137 20 0 BGADHN CC(C)=CCCN1CCCC[C@H]1c1ccnn1C ZINC000660464878 411589705 /nfs/dbraw/zinc/58/97/05/411589705.db2.gz UPZQCTJZXKOZHY-HNNXBMFYSA-N 0 3 247.386 3.303 20 0 BGADHN CC(C)=CCCN1CCCC[C@@H]1c1ccnn1C ZINC000660464881 411589659 /nfs/dbraw/zinc/58/96/59/411589659.db2.gz UPZQCTJZXKOZHY-OAHLLOKOSA-N 0 3 247.386 3.303 20 0 BGADHN CC(C)c1ncc(CN(C)CCC2CCC2)cn1 ZINC000660474028 411590765 /nfs/dbraw/zinc/59/07/65/411590765.db2.gz FYJJXMJGEIWRFS-UHFFFAOYSA-N 0 3 247.386 3.222 20 0 BGADHN CC(C)=CCCN(C)Cc1cnc(C(C)C)nc1 ZINC000660479467 411591055 /nfs/dbraw/zinc/59/10/55/411591055.db2.gz XXPJIUZQPHEZQO-UHFFFAOYSA-N 0 3 247.386 3.388 20 0 BGADHN Cc1cc([C@H](C)NC[C@@H]2CC[C@@H]3C[C@@H]3C2)no1 ZINC000660483071 411592182 /nfs/dbraw/zinc/59/21/82/411592182.db2.gz KVIMHRLUYULHLC-LOWDOPEQSA-N 0 3 234.343 3.070 20 0 BGADHN Cc1cc([C@H](C)NC[C@@H]2CC[C@H]3C[C@H]3C2)no1 ZINC000660483072 411591963 /nfs/dbraw/zinc/59/19/63/411591963.db2.gz KVIMHRLUYULHLC-QNWHQSFQSA-N 0 3 234.343 3.070 20 0 BGADHN CO[C@@H](CN[C@@H](C)c1ccsc1)C1CCC1 ZINC000660483619 411591866 /nfs/dbraw/zinc/59/18/66/411591866.db2.gz IMLWOFFZWGWROI-GWCFXTLKSA-N 0 3 239.384 3.214 20 0 BGADHN CO[C@H](CN[C@@H](C)c1ccsc1)C1CCC1 ZINC000660483621 411592531 /nfs/dbraw/zinc/59/25/31/411592531.db2.gz IMLWOFFZWGWROI-GXFFZTMASA-N 0 3 239.384 3.214 20 0 BGADHN CO[C@@H](CN[C@H](C)c1ccsc1)C1CCC1 ZINC000660483623 411592028 /nfs/dbraw/zinc/59/20/28/411592028.db2.gz IMLWOFFZWGWROI-MFKMUULPSA-N 0 3 239.384 3.214 20 0 BGADHN CO[C@H](CN[C@H](C)c1ccsc1)C1CCC1 ZINC000660483624 411591910 /nfs/dbraw/zinc/59/19/10/411591910.db2.gz IMLWOFFZWGWROI-ZWNOBZJWSA-N 0 3 239.384 3.214 20 0 BGADHN CC(C)c1cccc(CN(C)[C@H]2CCCOC2)c1 ZINC000660531973 411595712 /nfs/dbraw/zinc/59/57/12/411595712.db2.gz AZUSCYKZXDWHIF-INIZCTEOSA-N 0 3 247.382 3.421 20 0 BGADHN CC(C)c1cccc(CN(C)[C@@H]2CCCOC2)c1 ZINC000660531974 411596564 /nfs/dbraw/zinc/59/65/64/411596564.db2.gz AZUSCYKZXDWHIF-MRXNPFEDSA-N 0 3 247.382 3.421 20 0 BGADHN CC(C)=CCCN1CCCC[C@H]1c1cc[nH]n1 ZINC000660532649 411596303 /nfs/dbraw/zinc/59/63/03/411596303.db2.gz JLIDGRPCUGIRDG-AWEZNQCLSA-N 0 3 233.359 3.293 20 0 BGADHN CC(C)=CCCN1CCCC[C@@H]1c1cc[nH]n1 ZINC000660532651 411596551 /nfs/dbraw/zinc/59/65/51/411596551.db2.gz JLIDGRPCUGIRDG-CQSZACIVSA-N 0 3 233.359 3.293 20 0 BGADHN c1cc([C@@H]2CCCCN2CCC2CCC2)n[nH]1 ZINC000660533430 488040940 /nfs/dbraw/zinc/04/09/40/488040940.db2.gz SRAFQLBLXLZTMV-AWEZNQCLSA-N 0 3 233.359 3.127 20 0 BGADHN c1cc([C@H]2CCCCN2CCC2CCC2)n[nH]1 ZINC000660533433 488041016 /nfs/dbraw/zinc/04/10/16/488041016.db2.gz SRAFQLBLXLZTMV-CQSZACIVSA-N 0 3 233.359 3.127 20 0 BGADHN c1c(CN2CCC3(CCC3)CC2)onc1C1CC1 ZINC000660544679 411597760 /nfs/dbraw/zinc/59/77/60/411597760.db2.gz MXPGYIJXPJWCKR-UHFFFAOYSA-N 0 3 246.354 3.318 20 0 BGADHN Cc1noc(C)c1C(C)(C)NCCC1CCC1 ZINC000660547614 411598359 /nfs/dbraw/zinc/59/83/59/411598359.db2.gz BHENMGTXEYYARG-UHFFFAOYSA-N 0 3 236.359 3.306 20 0 BGADHN CO[C@H](C)CN(C)Cc1cccc(C(C)C)c1 ZINC000660547671 411597810 /nfs/dbraw/zinc/59/78/10/411597810.db2.gz ATZGDHUZYAPQTD-CYBMUJFWSA-N 0 3 235.371 3.277 20 0 BGADHN CO[C@@H](C)CN(C)Cc1cccc(C(C)C)c1 ZINC000660547675 411598073 /nfs/dbraw/zinc/59/80/73/411598073.db2.gz ATZGDHUZYAPQTD-ZDUSSCGKSA-N 0 3 235.371 3.277 20 0 BGADHN CC(C)=CCCNC(C)(C)c1c(C)noc1C ZINC000660548045 411597549 /nfs/dbraw/zinc/59/75/49/411597549.db2.gz IGAWRHSFNLUKBN-UHFFFAOYSA-N 0 3 236.359 3.472 20 0 BGADHN C[C@@H](NCCC1CCC1)c1c(F)cncc1F ZINC000660553307 411598859 /nfs/dbraw/zinc/59/88/59/411598859.db2.gz XMLSUTQJLOUCKQ-SECBINFHSA-N 0 3 240.297 3.201 20 0 BGADHN C[C@H](NCCC1CCC1)c1c(F)cncc1F ZINC000660553308 411598591 /nfs/dbraw/zinc/59/85/91/411598591.db2.gz XMLSUTQJLOUCKQ-VIFPVBQESA-N 0 3 240.297 3.201 20 0 BGADHN C[C@@H]1C[C@H](C(C)(C)C)CCN1Cc1cn(C)cn1 ZINC000660557752 411599556 /nfs/dbraw/zinc/59/95/56/411599556.db2.gz NSFCFKIBYKGVHB-CHWSQXEVSA-N 0 3 249.402 3.067 20 0 BGADHN C[C@@H]1C[C@@H](C(C)(C)C)CCN1Cc1cn(C)cn1 ZINC000660557754 411599451 /nfs/dbraw/zinc/59/94/51/411599451.db2.gz NSFCFKIBYKGVHB-OLZOCXBDSA-N 0 3 249.402 3.067 20 0 BGADHN C[C@H]1C[C@H](C(C)(C)C)CCN1Cc1cn(C)cn1 ZINC000660557755 411599412 /nfs/dbraw/zinc/59/94/12/411599412.db2.gz NSFCFKIBYKGVHB-QWHCGFSZSA-N 0 3 249.402 3.067 20 0 BGADHN C[C@H]1C[C@@H](C(C)(C)C)CCN1Cc1cn(C)cn1 ZINC000660557756 411599892 /nfs/dbraw/zinc/59/98/92/411599892.db2.gz NSFCFKIBYKGVHB-STQMWFEESA-N 0 3 249.402 3.067 20 0 BGADHN c1c(CN2CCC[C@@H](C3CC3)C2)onc1C1CC1 ZINC000660558620 411600575 /nfs/dbraw/zinc/60/05/75/411600575.db2.gz DRLQWWYQFMHUDR-CYBMUJFWSA-N 0 3 246.354 3.174 20 0 BGADHN c1c(CN2CCC[C@H](C3CC3)C2)onc1C1CC1 ZINC000660558621 411600591 /nfs/dbraw/zinc/60/05/91/411600591.db2.gz DRLQWWYQFMHUDR-ZDUSSCGKSA-N 0 3 246.354 3.174 20 0 BGADHN CCC(CC)N(CC)Cc1cc(C)nc(C)n1 ZINC000660559498 411600311 /nfs/dbraw/zinc/60/03/11/411600311.db2.gz CVGOOYXUTAEWLJ-UHFFFAOYSA-N 0 3 235.375 3.104 20 0 BGADHN CCC(CC)N(CC)Cc1cc(OC)ns1 ZINC000660560107 411600580 /nfs/dbraw/zinc/60/05/80/411600580.db2.gz INYJHSVONCHGAG-UHFFFAOYSA-N 0 3 242.388 3.162 20 0 BGADHN CCc1nocc1CN(CC)C(CC)CC ZINC000660560829 411600561 /nfs/dbraw/zinc/60/05/61/411600561.db2.gz OIFKEUZCLLIXPI-UHFFFAOYSA-N 0 3 224.348 3.248 20 0 BGADHN CCC(CC)N(CC)Cc1nc(C)oc1C ZINC000660561188 411600652 /nfs/dbraw/zinc/60/06/52/411600652.db2.gz SLMNVTGQYNMYLY-UHFFFAOYSA-N 0 3 224.348 3.302 20 0 BGADHN CC(C)=CCCN1CCCc2occc2C1 ZINC000660562544 411600872 /nfs/dbraw/zinc/60/08/72/411600872.db2.gz MALFATZMJPWDCE-UHFFFAOYSA-N 0 3 219.328 3.384 20 0 BGADHN CCCC[C@@H](C)N(C)Cc1cc(C)nc(C)n1 ZINC000660587975 411604530 /nfs/dbraw/zinc/60/45/30/411604530.db2.gz XMBAQMVZPFSHPC-GFCCVEGCSA-N 0 3 235.375 3.104 20 0 BGADHN CCCC[C@H](C)N(C)Cc1cc(C)nc(C)n1 ZINC000660587977 411604525 /nfs/dbraw/zinc/60/45/25/411604525.db2.gz XMBAQMVZPFSHPC-LBPRGKRZSA-N 0 3 235.375 3.104 20 0 BGADHN CCN(Cc1cc(OC)ns1)CC(C)(C)C ZINC000660595006 411605218 /nfs/dbraw/zinc/60/52/18/411605218.db2.gz BJANFVXGJIRCOX-UHFFFAOYSA-N 0 3 242.388 3.020 20 0 BGADHN CCN(Cc1cc(C2CC2)no1)CC(C)(C)C ZINC000660595335 411605461 /nfs/dbraw/zinc/60/54/61/411605461.db2.gz CRSTYEQFGXJMEG-UHFFFAOYSA-N 0 3 236.359 3.420 20 0 BGADHN CCN(Cc1cccc(C(C)C)c1)[C@H]1CCOC1 ZINC000660595468 488105200 /nfs/dbraw/zinc/10/52/00/488105200.db2.gz FMHBGZVBDSXULB-INIZCTEOSA-N 0 3 247.382 3.421 20 0 BGADHN CCN(Cc1cccc(C(C)C)c1)[C@@H]1CCOC1 ZINC000660595469 488105183 /nfs/dbraw/zinc/10/51/83/488105183.db2.gz FMHBGZVBDSXULB-MRXNPFEDSA-N 0 3 247.382 3.421 20 0 BGADHN Cc1cccc(CN(C)[C@@H]2COC(C)(C)C2)c1C ZINC000660607103 411606524 /nfs/dbraw/zinc/60/65/24/411606524.db2.gz HXHSCXIQSCOCEZ-HNNXBMFYSA-N 0 3 247.382 3.303 20 0 BGADHN Cc1cccc(CN(C)[C@H]2COC(C)(C)C2)c1C ZINC000660607105 411606334 /nfs/dbraw/zinc/60/63/34/411606334.db2.gz HXHSCXIQSCOCEZ-OAHLLOKOSA-N 0 3 247.382 3.303 20 0 BGADHN Cc1ccoc1CN(C)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000660615493 411607861 /nfs/dbraw/zinc/60/78/61/411607861.db2.gz UEYMMIQHOVJHSJ-CLLJXQQHSA-N 0 3 219.328 3.066 20 0 BGADHN Cc1ccoc1CN(C)CCC1CCC1 ZINC000660615656 411607997 /nfs/dbraw/zinc/60/79/97/411607997.db2.gz VRMGTFYSQOSTIG-UHFFFAOYSA-N 0 3 207.317 3.210 20 0 BGADHN CC(C)=CCCN(C)Cc1occc1C ZINC000660615708 411355776 /nfs/dbraw/zinc/35/57/76/411355776.db2.gz WRVRUOKOYIRNGC-UHFFFAOYSA-N 0 3 207.317 3.376 20 0 BGADHN Cc1cc(CN(C2CCC2)C2CCC2)nc(C)n1 ZINC000660617044 411608260 /nfs/dbraw/zinc/60/82/60/411608260.db2.gz IOQKCQXLBBNIJA-UHFFFAOYSA-N 0 3 245.370 3.000 20 0 BGADHN CCc1nocc1CN(C1CCC1)C1CCC1 ZINC000660617089 411355477 /nfs/dbraw/zinc/35/54/77/411355477.db2.gz JCTOAVHUVXQIPI-UHFFFAOYSA-N 0 3 234.343 3.144 20 0 BGADHN c1c(CN(C2CCC2)C2CCC2)onc1C1CC1 ZINC000660617206 411608305 /nfs/dbraw/zinc/60/83/05/411608305.db2.gz KCKVKVLXXBTLST-UHFFFAOYSA-N 0 3 246.354 3.459 20 0 BGADHN c1c(CN[C@H]2CC3CCC2CC3)onc1C1CC1 ZINC000660625822 411609168 /nfs/dbraw/zinc/60/91/68/411609168.db2.gz RINGJCWXOMFZMI-MGULZYLOSA-N 0 3 246.354 3.220 20 0 BGADHN c1c(CN[C@@H]2CC3CCC2CC3)onc1C1CC1 ZINC000660625824 411608588 /nfs/dbraw/zinc/60/85/88/411608588.db2.gz RINGJCWXOMFZMI-QIMFLAQGSA-N 0 3 246.354 3.220 20 0 BGADHN CC(C)=CCN1CCC[C@H](c2ccccn2)C1 ZINC000660626443 411359764 /nfs/dbraw/zinc/35/97/64/411359764.db2.gz NOWSQSQROSBRBL-AWEZNQCLSA-N 0 3 230.355 3.227 20 0 BGADHN CC(C)=CCN1CCC[C@@H](c2ccccn2)C1 ZINC000660626449 411359259 /nfs/dbraw/zinc/35/92/59/411359259.db2.gz NOWSQSQROSBRBL-CQSZACIVSA-N 0 3 230.355 3.227 20 0 BGADHN C1=C(CN2CCC[C@H](c3ccccn3)C2)CCC1 ZINC000660627641 411609954 /nfs/dbraw/zinc/60/99/54/411609954.db2.gz VRAOPABRBLWHMR-HNNXBMFYSA-N 0 3 242.366 3.371 20 0 BGADHN C1=C(CN2CCC[C@@H](c3ccccn3)C2)CCC1 ZINC000660627643 411609528 /nfs/dbraw/zinc/60/95/28/411609528.db2.gz VRAOPABRBLWHMR-OAHLLOKOSA-N 0 3 242.366 3.371 20 0 BGADHN c1ccc(C2=CCCN(CCC3CCC3)C2)nc1 ZINC000660628435 411609507 /nfs/dbraw/zinc/60/95/07/411609507.db2.gz MRDQAJFXPQSZQT-UHFFFAOYSA-N 0 3 242.366 3.361 20 0 BGADHN COC[C@@H]1CCN1Cc1cccc(C(C)C)c1 ZINC000660630607 411609500 /nfs/dbraw/zinc/60/95/00/411609500.db2.gz QTPFOCHVQVQCOW-HNNXBMFYSA-N 0 3 233.355 3.031 20 0 BGADHN COC[C@H]1CCN1Cc1cccc(C(C)C)c1 ZINC000660630608 411609555 /nfs/dbraw/zinc/60/95/55/411609555.db2.gz QTPFOCHVQVQCOW-OAHLLOKOSA-N 0 3 233.355 3.031 20 0 BGADHN COC[C@@H]1CCN1Cc1cccc(C(C)(C)C)c1 ZINC000660630703 411609584 /nfs/dbraw/zinc/60/95/84/411609584.db2.gz RSOLFFJKIGECIH-HNNXBMFYSA-N 0 3 247.382 3.205 20 0 BGADHN COC[C@H]1CCN1Cc1cccc(C(C)(C)C)c1 ZINC000660630705 411609637 /nfs/dbraw/zinc/60/96/37/411609637.db2.gz RSOLFFJKIGECIH-OAHLLOKOSA-N 0 3 247.382 3.205 20 0 BGADHN C[C@@H]1CN(CCc2nsc3ccccc32)[C@@H]1C ZINC000660639717 411610993 /nfs/dbraw/zinc/61/09/93/411610993.db2.gz JPUQATWRGBXELI-GHMZBOCLSA-N 0 3 246.379 3.179 20 0 BGADHN C[C@@H]1CN(CCc2nsc3ccccc32)[C@H]1C ZINC000660639718 411610913 /nfs/dbraw/zinc/61/09/13/411610913.db2.gz JPUQATWRGBXELI-MNOVXSKESA-N 0 3 246.379 3.179 20 0 BGADHN C[C@H]1CN(CCc2nsc3ccccc32)[C@H]1C ZINC000660639719 488134551 /nfs/dbraw/zinc/13/45/51/488134551.db2.gz JPUQATWRGBXELI-QWRGUYRKSA-N 0 3 246.379 3.179 20 0 BGADHN C[C@@H]1[C@@H](C)CN1CCc1nsc2ccccc21 ZINC000660639720 488134483 /nfs/dbraw/zinc/13/44/83/488134483.db2.gz JPUQATWRGBXELI-WDEREUQCSA-N 0 3 246.379 3.179 20 0 BGADHN CSc1cccc(CN2C[C@@H](C)[C@H]2C)c1 ZINC000660640841 411611229 /nfs/dbraw/zinc/61/12/29/411611229.db2.gz SQKQFVDCTCHBFV-GHMZBOCLSA-N 0 3 221.369 3.249 20 0 BGADHN CSc1cccc(CN2C[C@@H](C)[C@@H]2C)c1 ZINC000660640842 411610988 /nfs/dbraw/zinc/61/09/88/411610988.db2.gz SQKQFVDCTCHBFV-MNOVXSKESA-N 0 3 221.369 3.249 20 0 BGADHN CSc1cccc(CN2C[C@H](C)[C@@H]2C)c1 ZINC000660640845 411610859 /nfs/dbraw/zinc/61/08/59/411610859.db2.gz SQKQFVDCTCHBFV-QWRGUYRKSA-N 0 3 221.369 3.249 20 0 BGADHN CSc1cccc(CN2C[C@H](C)[C@H]2C)c1 ZINC000660640849 411610829 /nfs/dbraw/zinc/61/08/29/411610829.db2.gz SQKQFVDCTCHBFV-WDEREUQCSA-N 0 3 221.369 3.249 20 0 BGADHN Cc1nc(CN2CC(C)(C)[C@H]3CCC[C@H]32)c(C)o1 ZINC000660642117 411611407 /nfs/dbraw/zinc/61/14/07/411611407.db2.gz CTJRBKKURMHFOE-GXTWGEPZSA-N 0 3 248.370 3.302 20 0 BGADHN Cc1nc(CN2CC(C)(C)[C@H]3CCC[C@@H]32)c(C)o1 ZINC000660642118 411611059 /nfs/dbraw/zinc/61/10/59/411611059.db2.gz CTJRBKKURMHFOE-JSGCOSHPSA-N 0 3 248.370 3.302 20 0 BGADHN Cc1nc(CN2CC(C)(C)[C@@H]3CCC[C@@H]32)c(C)o1 ZINC000660642120 411611033 /nfs/dbraw/zinc/61/10/33/411611033.db2.gz CTJRBKKURMHFOE-OCCSQVGLSA-N 0 3 248.370 3.302 20 0 BGADHN Cc1nc(CN2CC(C)(C)[C@@H]3CCC[C@H]32)c(C)o1 ZINC000660642121 411611208 /nfs/dbraw/zinc/61/12/08/411611208.db2.gz CTJRBKKURMHFOE-TZMCWYRMSA-N 0 3 248.370 3.302 20 0 BGADHN Cc1ccccc1CCN(C)[C@@H]1COC(C)(C)C1 ZINC000660647871 411372427 /nfs/dbraw/zinc/37/24/27/411372427.db2.gz JYDDORBHIAKCJD-HNNXBMFYSA-N 0 3 247.382 3.037 20 0 BGADHN Cc1ccccc1CCN(C)[C@H]1COC(C)(C)C1 ZINC000660647873 411371757 /nfs/dbraw/zinc/37/17/57/411371757.db2.gz JYDDORBHIAKCJD-OAHLLOKOSA-N 0 3 247.382 3.037 20 0 BGADHN CCc1nocc1CN(C)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000660654496 411613370 /nfs/dbraw/zinc/61/33/70/411613370.db2.gz HKWQHXHKQFDRPO-FRRDWIJNSA-N 0 3 248.370 3.105 20 0 BGADHN CCc1nocc1CN(C)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000660654500 411613239 /nfs/dbraw/zinc/61/32/39/411613239.db2.gz HKWQHXHKQFDRPO-UPJWGTAASA-N 0 3 248.370 3.105 20 0 BGADHN CCc1nocc1CN(C)CCCC1CCC1 ZINC000660658938 411614093 /nfs/dbraw/zinc/61/40/93/411614093.db2.gz XIVDUPBQQCSHHN-UHFFFAOYSA-N 0 3 236.359 3.249 20 0 BGADHN CCC1(NCc2nc(C)oc2C)CCCC1 ZINC000660670330 411616380 /nfs/dbraw/zinc/61/63/80/411616380.db2.gz GMXOYFFBSWVOJU-UHFFFAOYSA-N 0 3 222.332 3.104 20 0 BGADHN Cc1nc(CN2CCC[C@@]2(C)CC(C)C)co1 ZINC000660670385 411616606 /nfs/dbraw/zinc/61/66/06/411616606.db2.gz HBQIZABJNKWERM-AWEZNQCLSA-N 0 3 236.359 3.384 20 0 BGADHN Cc1nc(CN2CCC[C@]2(C)CC(C)C)co1 ZINC000660670387 411616650 /nfs/dbraw/zinc/61/66/50/411616650.db2.gz HBQIZABJNKWERM-CQSZACIVSA-N 0 3 236.359 3.384 20 0 BGADHN CCc1nocc1CNC1(CC)CCCC1 ZINC000660670471 411616370 /nfs/dbraw/zinc/61/63/70/411616370.db2.gz IBTWWUJSNDSYKF-UHFFFAOYSA-N 0 3 222.332 3.049 20 0 BGADHN CCC1(NCc2cc(C3CC3)no2)CCCC1 ZINC000660671591 411616363 /nfs/dbraw/zinc/61/63/63/411616363.db2.gz PIAXWSRTNQJUBH-UHFFFAOYSA-N 0 3 234.343 3.364 20 0 BGADHN CC(C)c1cccc(CN(C)CC(C)(C)CO)c1 ZINC000660672857 411616953 /nfs/dbraw/zinc/61/69/53/411616953.db2.gz XSPOGZOXTAGZCD-UHFFFAOYSA-N 0 3 249.398 3.260 20 0 BGADHN CN(CCCC1CCC1)Cc1ccccn1 ZINC000660679470 411616882 /nfs/dbraw/zinc/61/68/82/411616882.db2.gz LEKBDONYKIFBAT-UHFFFAOYSA-N 0 3 218.344 3.094 20 0 BGADHN CC[C@H](CC(F)F)CN(C)Cc1ccccn1 ZINC000660680285 411616699 /nfs/dbraw/zinc/61/66/99/411616699.db2.gz UJZURCNPNXYZHO-LLVKDONJSA-N 0 3 242.313 3.195 20 0 BGADHN CC[C@@H](CC(F)F)CN(C)Cc1ccccn1 ZINC000660680286 411617013 /nfs/dbraw/zinc/61/70/13/411617013.db2.gz UJZURCNPNXYZHO-NSHDSACASA-N 0 3 242.313 3.195 20 0 BGADHN Cc1ccc(CN(C)CCC2CCC2)nc1 ZINC000660683325 409545872 /nfs/dbraw/zinc/54/58/72/409545872.db2.gz AQCCVPVBLWSXNI-UHFFFAOYSA-N 0 3 218.344 3.012 20 0 BGADHN Cc1ccc(CN(C)CCCC2CCC2)nc1 ZINC000660683460 411617412 /nfs/dbraw/zinc/61/74/12/411617412.db2.gz GHLOPPKALAZSDD-UHFFFAOYSA-N 0 3 232.371 3.402 20 0 BGADHN CC(C)=CCCN(C)Cc1ccc(C)cn1 ZINC000660683599 411617305 /nfs/dbraw/zinc/61/73/05/411617305.db2.gz IELOKXQGXHJAJQ-UHFFFAOYSA-N 0 3 218.344 3.178 20 0 BGADHN Cc1ccc(CN(C)C[C@@H]2CC[C@@H]3C[C@@H]3C2)nc1 ZINC000660684324 409544518 /nfs/dbraw/zinc/54/45/18/409544518.db2.gz USZIOVLMYMAXHF-KFWWJZLASA-N 0 3 244.382 3.258 20 0 BGADHN Cc1ccc(CN(C)C[C@@H]2CC[C@H]3C[C@H]3C2)nc1 ZINC000660684325 409546124 /nfs/dbraw/zinc/54/61/24/409546124.db2.gz USZIOVLMYMAXHF-QLFBSQMISA-N 0 3 244.382 3.258 20 0 BGADHN CCC[C@@H](NCc1coc(C)n1)C(C)(C)C ZINC000660692273 409556771 /nfs/dbraw/zinc/55/67/71/409556771.db2.gz MMYIWNZBDDBHSE-GFCCVEGCSA-N 0 3 224.348 3.287 20 0 BGADHN CCC[C@H](NCc1coc(C)n1)C(C)(C)C ZINC000660692274 409557408 /nfs/dbraw/zinc/55/74/08/409557408.db2.gz MMYIWNZBDDBHSE-LBPRGKRZSA-N 0 3 224.348 3.287 20 0 BGADHN F[C@H]1CCN(CC[C@@H]2CCc3ccccc32)C1 ZINC000660693638 411617768 /nfs/dbraw/zinc/61/77/68/411617768.db2.gz YUTMZOLSPZDCLV-KBPBESRZSA-N 0 3 233.330 3.150 20 0 BGADHN F[C@H]1CCN(CC[C@H]2CCc3ccccc32)C1 ZINC000660693639 411617794 /nfs/dbraw/zinc/61/77/94/411617794.db2.gz YUTMZOLSPZDCLV-KGLIPLIRSA-N 0 3 233.330 3.150 20 0 BGADHN F[C@@H]1CCN(CC[C@@H]2CCc3ccccc32)C1 ZINC000660693640 411617741 /nfs/dbraw/zinc/61/77/41/411617741.db2.gz YUTMZOLSPZDCLV-UONOGXRCSA-N 0 3 233.330 3.150 20 0 BGADHN F[C@@H]1CCN(CC[C@H]2CCc3ccccc32)C1 ZINC000660693641 411618012 /nfs/dbraw/zinc/61/80/12/411618012.db2.gz YUTMZOLSPZDCLV-ZIAGYGMSSA-N 0 3 233.330 3.150 20 0 BGADHN CCN(C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000660708704 411618458 /nfs/dbraw/zinc/61/84/58/411618458.db2.gz ABTGYQLOYMBGFM-MRVPVSSYSA-N 0 3 237.734 3.229 20 0 BGADHN CCN(C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000660708710 411618533 /nfs/dbraw/zinc/61/85/33/411618533.db2.gz ABTGYQLOYMBGFM-QMMMGPOBSA-N 0 3 237.734 3.229 20 0 BGADHN c1c(CN2C[C@@H]3CCCC[C@@H]3C2)onc1C1CC1 ZINC000660723491 411619230 /nfs/dbraw/zinc/61/92/30/411619230.db2.gz HUGMEVMZRXRDDF-BETUJISGSA-N 0 3 246.354 3.174 20 0 BGADHN COc1cccc2c1CN(CC1CC=CC1)CC2 ZINC000660735467 411619946 /nfs/dbraw/zinc/61/99/46/411619946.db2.gz IMJYPWWUXQXLDE-UHFFFAOYSA-N 0 3 243.350 3.020 20 0 BGADHN CC(C)c1cccc(CN[C@H]2COCC2(C)C)c1 ZINC000660736641 411619735 /nfs/dbraw/zinc/61/97/35/411619735.db2.gz JIEDOYYYNQFGMY-HNNXBMFYSA-N 0 3 247.382 3.325 20 0 BGADHN CC(C)c1cccc(CN[C@@H]2COCC2(C)C)c1 ZINC000660736642 411619704 /nfs/dbraw/zinc/61/97/04/411619704.db2.gz JIEDOYYYNQFGMY-OAHLLOKOSA-N 0 3 247.382 3.325 20 0 BGADHN CC[C@@H]1CC[C@H](C)N(Cc2nc(C)oc2C)C1 ZINC000660751420 409705349 /nfs/dbraw/zinc/70/53/49/409705349.db2.gz JOAWSRPBEHXKJQ-GXFFZTMASA-N 0 3 236.359 3.302 20 0 BGADHN CCc1nocc1CN1C[C@H](CC)CC[C@@H]1C ZINC000660752987 411620833 /nfs/dbraw/zinc/62/08/33/411620833.db2.gz VDBMKNQPKXAAMM-NWDGAFQWSA-N 0 3 236.359 3.248 20 0 BGADHN CC[C@@H]1CC[C@H](C)N(Cc2cc(C)nc(C)n2)C1 ZINC000660753427 409709348 /nfs/dbraw/zinc/70/93/48/409709348.db2.gz ZVLIXDOELSDIGJ-GXTWGEPZSA-N 0 3 247.386 3.104 20 0 BGADHN Cc1nc(CN2[C@H](C)CCC2(C)C)c(C)o1 ZINC000660754724 411621058 /nfs/dbraw/zinc/62/10/58/411621058.db2.gz KAANQNFGKWTREX-SECBINFHSA-N 0 3 222.332 3.054 20 0 BGADHN Cc1nc(CN2[C@@H](C)CCC2(C)C)c(C)o1 ZINC000660754726 411621080 /nfs/dbraw/zinc/62/10/80/411621080.db2.gz KAANQNFGKWTREX-VIFPVBQESA-N 0 3 222.332 3.054 20 0 BGADHN C[C@@H]1CCC(C)(C)N1Cc1cnn(C(C)(C)C)c1 ZINC000660755701 411621391 /nfs/dbraw/zinc/62/13/91/411621391.db2.gz RTYMDHYXWIZTIL-GFCCVEGCSA-N 0 3 249.402 3.401 20 0 BGADHN C[C@H]1CCC(C)(C)N1Cc1cnn(C(C)(C)C)c1 ZINC000660755706 411621146 /nfs/dbraw/zinc/62/11/46/411621146.db2.gz RTYMDHYXWIZTIL-LBPRGKRZSA-N 0 3 249.402 3.401 20 0 BGADHN C[C@H]1CCC(C)(C)N1Cc1cc(C2CC2)no1 ZINC000660755840 411621182 /nfs/dbraw/zinc/62/11/82/411621182.db2.gz UEFRFUJYMUVGTJ-JTQLQIEISA-N 0 3 234.343 3.315 20 0 BGADHN C[C@@H]1CCC(C)(C)N1Cc1cc(C2CC2)no1 ZINC000660755841 411621358 /nfs/dbraw/zinc/62/13/58/411621358.db2.gz UEFRFUJYMUVGTJ-SNVBAGLBSA-N 0 3 234.343 3.315 20 0 BGADHN CC(C)c1cccc(CN2C[C@H](O)C[C@H](C)C2)c1 ZINC000660756556 487608385 /nfs/dbraw/zinc/60/83/85/487608385.db2.gz BMSQCZHGUDRJNK-XJKSGUPXSA-N 0 3 247.382 3.013 20 0 BGADHN Cc1nc(CN[C@@H](C)[C@@H]2CCC[C@H](C)C2)co1 ZINC000660757085 409713499 /nfs/dbraw/zinc/71/34/99/409713499.db2.gz CBFXTFCDQVZBMF-GMXVVIOVSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1nc(CN[C@@H](C)[C@H]2CCC[C@H](C)C2)co1 ZINC000660757087 409714134 /nfs/dbraw/zinc/71/41/34/409714134.db2.gz CBFXTFCDQVZBMF-GVXVVHGQSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1nc(CN[C@@H](C)[C@H]2CCC[C@@H](C)C2)co1 ZINC000660757089 409713626 /nfs/dbraw/zinc/71/36/26/409713626.db2.gz CBFXTFCDQVZBMF-MDZLAQPJSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1nc(CN[C@@H](C)[C@@H]2CCC[C@@H](C)C2)co1 ZINC000660757090 409715273 /nfs/dbraw/zinc/71/52/73/409715273.db2.gz CBFXTFCDQVZBMF-NTZNESFSSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1cccc([C@@H](C)NCc2cccc(N)c2)c1 ZINC000660757656 409716355 /nfs/dbraw/zinc/71/63/55/409716355.db2.gz NZCIBTHHDCULHW-CYBMUJFWSA-N 0 3 240.350 3.428 20 0 BGADHN Cc1cccc([C@H](C)NCc2cccc(N)c2)c1 ZINC000660757661 409713592 /nfs/dbraw/zinc/71/35/92/409713592.db2.gz NZCIBTHHDCULHW-ZDUSSCGKSA-N 0 3 240.350 3.428 20 0 BGADHN Cc1nc(CN[C@@]2(C)CCCC[C@@H]2C)c(C)o1 ZINC000660766454 411622586 /nfs/dbraw/zinc/62/25/86/411622586.db2.gz HBVSIECTOYRCIK-HZMBPMFUSA-N 0 3 236.359 3.350 20 0 BGADHN Cc1nc(CN[C@]2(C)CCCC[C@@H]2C)c(C)o1 ZINC000660766455 411622662 /nfs/dbraw/zinc/62/26/62/411622662.db2.gz HBVSIECTOYRCIK-IINYFYTJSA-N 0 3 236.359 3.350 20 0 BGADHN Cc1nc(CN[C@]2(C)CCCC[C@H]2C)c(C)o1 ZINC000660766456 411623286 /nfs/dbraw/zinc/62/32/86/411623286.db2.gz HBVSIECTOYRCIK-QMTHXVAHSA-N 0 3 236.359 3.350 20 0 BGADHN Cc1nc(CN[C@@]2(C)CCCC[C@H]2C)c(C)o1 ZINC000660766457 411623248 /nfs/dbraw/zinc/62/32/48/411623248.db2.gz HBVSIECTOYRCIK-YGRLFVJLSA-N 0 3 236.359 3.350 20 0 BGADHN Cc1nc(CN[C@@]2(C)CCCC[C@@H]2C)co1 ZINC000660766526 411622633 /nfs/dbraw/zinc/62/26/33/411622633.db2.gz HROWYVROTBAGTL-GWCFXTLKSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1nc(CN[C@]2(C)CCCC[C@@H]2C)co1 ZINC000660766529 411622636 /nfs/dbraw/zinc/62/26/36/411622636.db2.gz HROWYVROTBAGTL-GXFFZTMASA-N 0 3 222.332 3.041 20 0 BGADHN Cc1nc(CN[C@@]2(C)CCCC[C@H]2C)co1 ZINC000660766531 411622768 /nfs/dbraw/zinc/62/27/68/411622768.db2.gz HROWYVROTBAGTL-MFKMUULPSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1nc(CN[C@]2(C)CCCC[C@H]2C)co1 ZINC000660766532 411622946 /nfs/dbraw/zinc/62/29/46/411622946.db2.gz HROWYVROTBAGTL-ZWNOBZJWSA-N 0 3 222.332 3.041 20 0 BGADHN c1c(CNC2(C3CCC3)CCC2)onc1C1CC1 ZINC000660778508 487616977 /nfs/dbraw/zinc/61/69/77/487616977.db2.gz IGMRYBPFCKUCDH-UHFFFAOYSA-N 0 3 246.354 3.364 20 0 BGADHN C[C@@H](NC[C@H]1CCCCC1(C)C)c1ccn(C)n1 ZINC000660778960 411627090 /nfs/dbraw/zinc/62/70/90/411627090.db2.gz JSBCWYXUNVNNNG-CHWSQXEVSA-N 0 3 249.402 3.287 20 0 BGADHN C[C@@H](NC[C@@H]1CCCCC1(C)C)c1ccn(C)n1 ZINC000660778961 411627252 /nfs/dbraw/zinc/62/72/52/411627252.db2.gz JSBCWYXUNVNNNG-OLZOCXBDSA-N 0 3 249.402 3.287 20 0 BGADHN C[C@H](NC[C@H]1CCCCC1(C)C)c1ccn(C)n1 ZINC000660778963 411627176 /nfs/dbraw/zinc/62/71/76/411627176.db2.gz JSBCWYXUNVNNNG-QWHCGFSZSA-N 0 3 249.402 3.287 20 0 BGADHN C[C@H](NC[C@@H]1CCCCC1(C)C)c1ccn(C)n1 ZINC000660778964 411626884 /nfs/dbraw/zinc/62/68/84/411626884.db2.gz JSBCWYXUNVNNNG-STQMWFEESA-N 0 3 249.402 3.287 20 0 BGADHN CCC[C@@H](NCc1coc(C)n1)C1CCC1 ZINC000660782665 411631127 /nfs/dbraw/zinc/63/11/27/411631127.db2.gz FHQLFGMOWNFWFH-CYBMUJFWSA-N 0 3 222.332 3.041 20 0 BGADHN CCC[C@H](NCc1coc(C)n1)C1CCC1 ZINC000660782666 411630794 /nfs/dbraw/zinc/63/07/94/411630794.db2.gz FHQLFGMOWNFWFH-ZDUSSCGKSA-N 0 3 222.332 3.041 20 0 BGADHN CCC[C@@H](NCc1nc(C)oc1C)C1CCC1 ZINC000660784325 409743957 /nfs/dbraw/zinc/74/39/57/409743957.db2.gz ZYQCFYNKDILEBG-CYBMUJFWSA-N 0 3 236.359 3.350 20 0 BGADHN CCC[C@H](NCc1nc(C)oc1C)C1CCC1 ZINC000660784326 409744281 /nfs/dbraw/zinc/74/42/81/409744281.db2.gz ZYQCFYNKDILEBG-ZDUSSCGKSA-N 0 3 236.359 3.350 20 0 BGADHN C[C@H]1CC(C)(C)CN1Cc1cc(C2CC2)no1 ZINC000660805190 409766601 /nfs/dbraw/zinc/76/66/01/409766601.db2.gz LAOLOYXRDRZMEQ-JTQLQIEISA-N 0 3 234.343 3.172 20 0 BGADHN C[C@@H]1CC(C)(C)CN1Cc1cc(C2CC2)no1 ZINC000660805201 409766346 /nfs/dbraw/zinc/76/63/46/409766346.db2.gz LAOLOYXRDRZMEQ-SNVBAGLBSA-N 0 3 234.343 3.172 20 0 BGADHN CCN(Cc1cc(C)nc(C)n1)C1CC(C)(C)C1 ZINC000660808360 411641730 /nfs/dbraw/zinc/64/17/30/411641730.db2.gz OMZSZNBVJKFKMS-UHFFFAOYSA-N 0 3 247.386 3.104 20 0 BGADHN CCN(Cc1occc1C)Cc1cccc(N)c1 ZINC000660808784 411643207 /nfs/dbraw/zinc/64/32/07/411643207.db2.gz REAGYLTXXOXJRC-UHFFFAOYSA-N 0 3 244.338 3.192 20 0 BGADHN c1c(CN2CC[C@@H](C3CCC3)C2)onc1C1CC1 ZINC000660812904 411643441 /nfs/dbraw/zinc/64/34/41/411643441.db2.gz DNUCZHQWSMGOHZ-CYBMUJFWSA-N 0 3 246.354 3.174 20 0 BGADHN c1c(CN2CC[C@H](C3CCC3)C2)onc1C1CC1 ZINC000660812906 411644308 /nfs/dbraw/zinc/64/43/08/411644308.db2.gz DNUCZHQWSMGOHZ-ZDUSSCGKSA-N 0 3 246.354 3.174 20 0 BGADHN CCC(CC)CN1CCC(=O)CC12CCC2 ZINC000660817539 411644090 /nfs/dbraw/zinc/64/40/90/411644090.db2.gz CSDAOFRRRZYRFV-UHFFFAOYSA-N 0 3 223.360 3.010 20 0 BGADHN O=C1CCN(C[C@@H]2CC[C@H]3C[C@H]3C2)C2(CCC2)C1 ZINC000660818355 409787397 /nfs/dbraw/zinc/78/73/97/409787397.db2.gz GZMQPBPTDUTJLG-HZSPNIEDSA-N 0 3 247.382 3.010 20 0 BGADHN O=C1CCN(C[C@@H]2CC[C@@H]3C[C@@H]3C2)C2(CCC2)C1 ZINC000660818356 409789224 /nfs/dbraw/zinc/78/92/24/409789224.db2.gz GZMQPBPTDUTJLG-MCIONIFRSA-N 0 3 247.382 3.010 20 0 BGADHN C[C@H]1[C@@H](C)N(Cc2cc(C3CC3)no2)C[C@H]1C ZINC000660824164 411646214 /nfs/dbraw/zinc/64/62/14/411646214.db2.gz LDFANYXTZPDQBE-GMTAPVOTSA-N 0 3 234.343 3.028 20 0 BGADHN C[C@@H]1[C@H](C)CN(Cc2cc(C3CC3)no2)[C@H]1C ZINC000660824165 411645735 /nfs/dbraw/zinc/64/57/35/411645735.db2.gz LDFANYXTZPDQBE-MXWKQRLJSA-N 0 3 234.343 3.028 20 0 BGADHN C[C@@H]1[C@@H](C)[C@H](C)CN1Cc1cc(C2CC2)no1 ZINC000660824166 411645997 /nfs/dbraw/zinc/64/59/97/411645997.db2.gz LDFANYXTZPDQBE-OUAUKWLOSA-N 0 3 234.343 3.028 20 0 BGADHN C[C@@H]1CN(Cc2cc(C3CC3)no2)[C@@H](C)[C@H]1C ZINC000660824167 411647032 /nfs/dbraw/zinc/64/70/32/411647032.db2.gz LDFANYXTZPDQBE-VWYCJHECSA-N 0 3 234.343 3.028 20 0 BGADHN CC[C@H](NCc1nc(C)oc1C)[C@H]1CC1(C)C ZINC000660824530 411646285 /nfs/dbraw/zinc/64/62/85/411646285.db2.gz OYKSSKUNBRUKPC-NEPJUHHUSA-N 0 3 236.359 3.206 20 0 BGADHN CC[C@@H](NCc1nc(C)oc1C)[C@@H]1CC1(C)C ZINC000660824531 411645854 /nfs/dbraw/zinc/64/58/54/411645854.db2.gz OYKSSKUNBRUKPC-NWDGAFQWSA-N 0 3 236.359 3.206 20 0 BGADHN CC[C@H](NCc1nc(C)oc1C)[C@@H]1CC1(C)C ZINC000660824532 411647205 /nfs/dbraw/zinc/64/72/05/411647205.db2.gz OYKSSKUNBRUKPC-RYUDHWBXSA-N 0 3 236.359 3.206 20 0 BGADHN CC[C@@H](NCc1nc(C)oc1C)[C@H]1CC1(C)C ZINC000660824533 411645763 /nfs/dbraw/zinc/64/57/63/411645763.db2.gz OYKSSKUNBRUKPC-VXGBXAGGSA-N 0 3 236.359 3.206 20 0 BGADHN CN(Cc1cn(C)cn1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000660825135 411646974 /nfs/dbraw/zinc/64/69/74/411646974.db2.gz TYMMVMCLPRGRII-KBPBESRZSA-N 0 3 249.402 3.067 20 0 BGADHN CN(Cc1cn(C)cn1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000660825136 409801050 /nfs/dbraw/zinc/80/10/50/409801050.db2.gz TYMMVMCLPRGRII-KGLIPLIRSA-N 0 3 249.402 3.067 20 0 BGADHN CN(Cc1cn(C)cn1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000660825137 409800733 /nfs/dbraw/zinc/80/07/33/409800733.db2.gz TYMMVMCLPRGRII-UONOGXRCSA-N 0 3 249.402 3.067 20 0 BGADHN CN(Cc1cn(C)cn1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000660825138 409800919 /nfs/dbraw/zinc/80/09/19/409800919.db2.gz TYMMVMCLPRGRII-ZIAGYGMSSA-N 0 3 249.402 3.067 20 0 BGADHN CC[C@@H](NCc1cc(C2CC2)no1)[C@H]1CC1(C)C ZINC000660825323 409800137 /nfs/dbraw/zinc/80/01/37/409800137.db2.gz UNVCDIGWZXFPLY-CHWSQXEVSA-N 0 3 248.370 3.466 20 0 BGADHN CC[C@H](NCc1cc(C2CC2)no1)[C@H]1CC1(C)C ZINC000660825326 409800534 /nfs/dbraw/zinc/80/05/34/409800534.db2.gz UNVCDIGWZXFPLY-OLZOCXBDSA-N 0 3 248.370 3.466 20 0 BGADHN CC[C@@H](NCc1cc(C2CC2)no1)[C@@H]1CC1(C)C ZINC000660825331 409802268 /nfs/dbraw/zinc/80/22/68/409802268.db2.gz UNVCDIGWZXFPLY-QWHCGFSZSA-N 0 3 248.370 3.466 20 0 BGADHN CC[C@H](NCc1cc(C2CC2)no1)[C@@H]1CC1(C)C ZINC000660825332 409802294 /nfs/dbraw/zinc/80/22/94/409802294.db2.gz UNVCDIGWZXFPLY-STQMWFEESA-N 0 3 248.370 3.466 20 0 BGADHN CCc1nocc1CN[C@@H](CC)[C@@H]1CC1(C)C ZINC000660825657 411646547 /nfs/dbraw/zinc/64/65/47/411646547.db2.gz VUTZPMSAMHNVOI-AAEUAGOBSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1nocc1CN[C@H](CC)[C@H]1CC1(C)C ZINC000660825658 411645812 /nfs/dbraw/zinc/64/58/12/411645812.db2.gz VUTZPMSAMHNVOI-DGCLKSJQSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1nocc1CN[C@H](CC)[C@@H]1CC1(C)C ZINC000660825659 411647064 /nfs/dbraw/zinc/64/70/64/411647064.db2.gz VUTZPMSAMHNVOI-WCQYABFASA-N 0 3 236.359 3.151 20 0 BGADHN CCc1nocc1CN[C@@H](CC)[C@H]1CC1(C)C ZINC000660825660 411646170 /nfs/dbraw/zinc/64/61/70/411646170.db2.gz VUTZPMSAMHNVOI-YPMHNXCESA-N 0 3 236.359 3.151 20 0 BGADHN CC(C)c1cccc(CN2C[C@@H](O)CC[C@@H]2C)c1 ZINC000660832511 411648399 /nfs/dbraw/zinc/64/83/99/411648399.db2.gz KOXPPGQJHPFGJF-BBRMVZONSA-N 0 3 247.382 3.155 20 0 BGADHN CC(C)c1cccc(CN2C[C@@H](O)CC[C@H]2C)c1 ZINC000660832512 411648633 /nfs/dbraw/zinc/64/86/33/411648633.db2.gz KOXPPGQJHPFGJF-CJNGLKHVSA-N 0 3 247.382 3.155 20 0 BGADHN CC(C)c1cccc(CN2C[C@H](O)CC[C@H]2C)c1 ZINC000660832513 411647974 /nfs/dbraw/zinc/64/79/74/411647974.db2.gz KOXPPGQJHPFGJF-CZUORRHYSA-N 0 3 247.382 3.155 20 0 BGADHN Cc1nc(CN2CC[C@H](C3CCCC3)C2)c(C)o1 ZINC000660833523 411651779 /nfs/dbraw/zinc/65/17/79/411651779.db2.gz TWNILZDFMADDPU-AWEZNQCLSA-N 0 3 248.370 3.304 20 0 BGADHN Cc1nc(CN2CC[C@@H](C3CCCC3)C2)c(C)o1 ZINC000660833524 411650134 /nfs/dbraw/zinc/65/01/34/411650134.db2.gz TWNILZDFMADDPU-CQSZACIVSA-N 0 3 248.370 3.304 20 0 BGADHN C[C@@H]1CCN(Cc2cc(C3CC3)no2)[C@H](C)C1 ZINC000660862199 411659982 /nfs/dbraw/zinc/65/99/82/411659982.db2.gz PLEDQNHPXCZFKS-GHMZBOCLSA-N 0 3 234.343 3.172 20 0 BGADHN c1c(CN2CC[C@@H]3CCCC[C@@H]32)onc1C1CC1 ZINC000660897267 409940272 /nfs/dbraw/zinc/94/02/72/409940272.db2.gz FBTMMSKVIBGGBP-WFASDCNBSA-N 0 3 246.354 3.317 20 0 BGADHN Cc1nc(CN2CC[C@@H]3CCCC[C@@H]32)c(C)o1 ZINC000660897301 411663741 /nfs/dbraw/zinc/66/37/41/411663741.db2.gz GDFFAPDROVFYJW-JSGCOSHPSA-N 0 3 234.343 3.056 20 0 BGADHN CN(CCC(C)(C)C)Cc1cc(C2CC2)no1 ZINC000660902080 411664858 /nfs/dbraw/zinc/66/48/58/411664858.db2.gz ZXIDIKFBSLTDJD-UHFFFAOYSA-N 0 3 236.359 3.420 20 0 BGADHN CCc1nocc1CN1CCCC[C@H]1C1CCC1 ZINC000660906312 411667375 /nfs/dbraw/zinc/66/73/75/411667375.db2.gz FXJOFPQVJLKLQW-HNNXBMFYSA-N 0 3 248.370 3.392 20 0 BGADHN CCc1nocc1CN1CCCC[C@@H]1C1CCC1 ZINC000660906316 411667591 /nfs/dbraw/zinc/66/75/91/411667591.db2.gz FXJOFPQVJLKLQW-OAHLLOKOSA-N 0 3 248.370 3.392 20 0 BGADHN Cc1nc(CN2CCCC[C@H]2C2CCC2)c(C)o1 ZINC000660906545 487737857 /nfs/dbraw/zinc/73/78/57/487737857.db2.gz ILRASUIKSVHJMK-HNNXBMFYSA-N 0 3 248.370 3.446 20 0 BGADHN Cc1nc(CN2CCCC[C@@H]2C2CCC2)c(C)o1 ZINC000660906549 487738225 /nfs/dbraw/zinc/73/82/25/487738225.db2.gz ILRASUIKSVHJMK-OAHLLOKOSA-N 0 3 248.370 3.446 20 0 BGADHN Cc1nc(CN2CCCC[C@H]2C2CCC2)co1 ZINC000660907955 411667771 /nfs/dbraw/zinc/66/77/71/411667771.db2.gz WZVOZNAGTMOWMB-AWEZNQCLSA-N 0 3 234.343 3.138 20 0 BGADHN Cc1nc(CN2CCCC[C@@H]2C2CCC2)co1 ZINC000660907956 411667158 /nfs/dbraw/zinc/66/71/58/411667158.db2.gz WZVOZNAGTMOWMB-CQSZACIVSA-N 0 3 234.343 3.138 20 0 BGADHN CC[C@H](CC(F)F)CN1C[C@@H](CC)OC[C@H]1C ZINC000660911569 409960618 /nfs/dbraw/zinc/96/06/18/409960618.db2.gz DUMHNDLWHGHJRR-IJLUTSLNSA-N 0 3 249.345 3.167 20 0 BGADHN CC[C@H](CC(F)F)CN1C[C@@H](CC)OC[C@@H]1C ZINC000660911572 409960788 /nfs/dbraw/zinc/96/07/88/409960788.db2.gz DUMHNDLWHGHJRR-QJPTWQEYSA-N 0 3 249.345 3.167 20 0 BGADHN CC[C@H](CC(F)F)CN1C[C@H](CC)OC[C@@H]1C ZINC000660911574 409960898 /nfs/dbraw/zinc/96/08/98/409960898.db2.gz DUMHNDLWHGHJRR-TUAOUCFPSA-N 0 3 249.345 3.167 20 0 BGADHN CC[C@H](CC(F)F)CN1C[C@H](CC)OC[C@H]1C ZINC000660911575 409959950 /nfs/dbraw/zinc/95/99/50/409959950.db2.gz DUMHNDLWHGHJRR-UTUOFQBUSA-N 0 3 249.345 3.167 20 0 BGADHN CCn1cc(CN(CCC2CCC2)C(C)C)cn1 ZINC000660918515 411673613 /nfs/dbraw/zinc/67/36/13/411673613.db2.gz BUHCKALBNGZNGM-UHFFFAOYSA-N 0 3 249.402 3.304 20 0 BGADHN CCn1cc(CN(CCC=C(C)C)C(C)C)cn1 ZINC000660920466 411673386 /nfs/dbraw/zinc/67/33/86/411673386.db2.gz PLXWVHASNPQYHN-UHFFFAOYSA-N 0 3 249.402 3.470 20 0 BGADHN C[C@@H](NCc1cc(C2CC2)no1)C(C)(C)C ZINC000660920806 411672143 /nfs/dbraw/zinc/67/21/43/411672143.db2.gz WVLCGRIOUJRYPB-SECBINFHSA-N 0 3 222.332 3.076 20 0 BGADHN CCCN(Cc1cnc2ccccc2n1)C(C)C ZINC000660923170 411675985 /nfs/dbraw/zinc/67/59/85/411675985.db2.gz BJIVBPOVEKHEAN-UHFFFAOYSA-N 0 3 243.354 3.250 20 0 BGADHN CCCN(Cc1cc(C2CC2)no1)C(C)C ZINC000660924672 411675782 /nfs/dbraw/zinc/67/57/82/411675782.db2.gz OUGALBPVIRHSKG-UHFFFAOYSA-N 0 3 222.332 3.172 20 0 BGADHN COc1ccc2c(c1)CN(C[C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC000660925615 411676996 /nfs/dbraw/zinc/67/69/96/411676996.db2.gz COAQITISCNCQKW-UBSAEIQESA-N 0 3 243.350 3.057 20 0 BGADHN COc1cccc(CN2C[C@@H]3CCCC[C@@H]32)c1 ZINC000660926304 411677543 /nfs/dbraw/zinc/67/75/43/411677543.db2.gz NNYMPBFPCILMJR-ZFWWWQNUSA-N 0 3 231.339 3.070 20 0 BGADHN CC(C)c1cccc(CN(C[C@@H](C)O)C2CC2)c1 ZINC000660927187 409973994 /nfs/dbraw/zinc/97/39/94/409973994.db2.gz XAQUVESNQKOMMA-CYBMUJFWSA-N 0 3 247.382 3.155 20 0 BGADHN CC(C)c1cccc(CN(C[C@H](C)O)C2CC2)c1 ZINC000660927191 409972695 /nfs/dbraw/zinc/97/26/95/409972695.db2.gz XAQUVESNQKOMMA-ZDUSSCGKSA-N 0 3 247.382 3.155 20 0 BGADHN Fc1ccc(OCCN2C[C@@H]3CCCC[C@@H]32)cc1 ZINC000660927700 409975788 /nfs/dbraw/zinc/97/57/88/409975788.db2.gz FPIJGVHNKDIMRD-WFASDCNBSA-N 0 3 249.329 3.079 20 0 BGADHN COc1ccc(C)cc1CN1C[C@@H]2CCCC[C@@H]21 ZINC000660927851 411679094 /nfs/dbraw/zinc/67/90/94/411679094.db2.gz GVBDDRXSYFOQEO-ZFWWWQNUSA-N 0 3 245.366 3.378 20 0 BGADHN Fc1ccccc1OCCN1C[C@@H]2CCCC[C@@H]21 ZINC000660928132 409977332 /nfs/dbraw/zinc/97/73/32/409977332.db2.gz KENLRHFJOCSMJZ-JSGCOSHPSA-N 0 3 249.329 3.079 20 0 BGADHN Fc1cccc(CN2C[C@@H]3CCCC[C@@H]32)c1 ZINC000660928213 411678525 /nfs/dbraw/zinc/67/85/25/411678525.db2.gz LETDQPSJZJAXPS-JSGCOSHPSA-N 0 3 219.303 3.200 20 0 BGADHN CCOc1ccc(CN2C[C@@H]3CCCC[C@@H]32)cc1 ZINC000660928332 411678945 /nfs/dbraw/zinc/67/89/45/411678945.db2.gz NAUZTGLDFRZYCP-HOCLYGCPSA-N 0 3 245.366 3.460 20 0 BGADHN Fc1ccccc1CN1C[C@@H]2CCCC[C@@H]21 ZINC000660928362 411679540 /nfs/dbraw/zinc/67/95/40/411679540.db2.gz MDSITOHZNUOMPV-JSGCOSHPSA-N 0 3 219.303 3.200 20 0 BGADHN Fc1ccc(CN2C[C@@H]3CCCC[C@@H]32)cc1 ZINC000660928659 411680101 /nfs/dbraw/zinc/68/01/01/411680101.db2.gz RFSDMSDORFPUDY-JSGCOSHPSA-N 0 3 219.303 3.200 20 0 BGADHN CCCc1nc(C)c(CN2C[C@@H]3CCCC[C@@H]32)o1 ZINC000660929498 409976843 /nfs/dbraw/zinc/97/68/43/409976843.db2.gz AYGFGUYJIKTLKG-STQMWFEESA-N 0 3 248.370 3.310 20 0 BGADHN CCOc1ccccc1CN1C[C@@H]2CCCC[C@@H]21 ZINC000660930144 411682575 /nfs/dbraw/zinc/68/25/75/411682575.db2.gz UHYPYWQJURLLCZ-ZFWWWQNUSA-N 0 3 245.366 3.460 20 0 BGADHN COc1cc(CN2C[C@@H]3CCCC[C@@H]32)ccc1C ZINC000660930508 411681631 /nfs/dbraw/zinc/68/16/31/411681631.db2.gz IXMNRRQRJKFQQM-GJZGRUSLSA-N 0 3 245.366 3.378 20 0 BGADHN COc1ccc(CN2C[C@@H]3CCCC[C@@H]32)cc1F ZINC000660930652 411681230 /nfs/dbraw/zinc/68/12/30/411681230.db2.gz VGSQEYGDEVIASA-JSGCOSHPSA-N 0 3 249.329 3.209 20 0 BGADHN Fc1ccccc1CCN1C[C@@H]2CCCC[C@@H]21 ZINC000660930791 411681164 /nfs/dbraw/zinc/68/11/64/411681164.db2.gz JNXZHKSTUIENSZ-ZFWWWQNUSA-N 0 3 233.330 3.243 20 0 BGADHN Cc1nc(C)c(CN2C[C@@H]3CCCC[C@@H]32)s1 ZINC000660931034 411681616 /nfs/dbraw/zinc/68/16/16/411681616.db2.gz OXFWZIKBTMUHJA-RYUDHWBXSA-N 0 3 236.384 3.134 20 0 BGADHN CCc1cc(CCCN2C[C@@H]3CCCC[C@@H]32)on1 ZINC000660931518 411681665 /nfs/dbraw/zinc/68/16/65/411681665.db2.gz OQFFBHLPUUCAJI-WFASDCNBSA-N 0 3 248.370 3.044 20 0 BGADHN C[C@@H](c1ccncc1)N1C[C@@H]2CCCC[C@@H]21 ZINC000660931638 411681389 /nfs/dbraw/zinc/68/13/89/411681389.db2.gz UQFDLQALBWVKTM-UBHSHLNASA-N 0 3 216.328 3.017 20 0 BGADHN C[C@H](c1ccncc1)N1C[C@@H]2CCCC[C@@H]21 ZINC000660931640 411681171 /nfs/dbraw/zinc/68/11/71/411681171.db2.gz UQFDLQALBWVKTM-XBFCOCLRSA-N 0 3 216.328 3.017 20 0 BGADHN C[C@@H](c1cccnc1)N1C[C@@H]2CCCC[C@@H]21 ZINC000660931691 411680630 /nfs/dbraw/zinc/68/06/30/411680630.db2.gz VPJWNYUMAUKHEL-UBHSHLNASA-N 0 3 216.328 3.017 20 0 BGADHN C[C@H](c1cccnc1)N1C[C@@H]2CCCC[C@@H]21 ZINC000660931694 411681550 /nfs/dbraw/zinc/68/15/50/411681550.db2.gz VPJWNYUMAUKHEL-XBFCOCLRSA-N 0 3 216.328 3.017 20 0 BGADHN Cc1ccc(CN2C[C@@H]3CCCC[C@@H]32)c(C)n1 ZINC000660932483 411681192 /nfs/dbraw/zinc/68/11/92/411681192.db2.gz XXWPEQUQVHDSMJ-GJZGRUSLSA-N 0 3 230.355 3.073 20 0 BGADHN COc1ccc(CN2C[C@@H]3CCCC[C@@H]32)cc1 ZINC000660932528 411681181 /nfs/dbraw/zinc/68/11/81/411681181.db2.gz ZDCMBUVVLKCDIM-ZFWWWQNUSA-N 0 3 231.339 3.070 20 0 BGADHN O=C(CCN1C[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC000660933139 411684335 /nfs/dbraw/zinc/68/43/35/411684335.db2.gz JTRREEAMHMRXJU-GJZGRUSLSA-N 0 3 243.350 3.134 20 0 BGADHN C[C@H](c1ccccn1)N1C[C@@H]2CCCC[C@@H]21 ZINC000660933377 411684410 /nfs/dbraw/zinc/68/44/10/411684410.db2.gz PWEBTZXYEICKGD-DYEKYZERSA-N 0 3 216.328 3.017 20 0 BGADHN C[C@@H](c1ccccn1)N1C[C@@H]2CCCC[C@@H]21 ZINC000660933379 411683778 /nfs/dbraw/zinc/68/37/78/411683778.db2.gz PWEBTZXYEICKGD-OBJOEFQTSA-N 0 3 216.328 3.017 20 0 BGADHN c1cc(CN2C[C@@H]3CCCC[C@@H]32)cs1 ZINC000660933628 411683483 /nfs/dbraw/zinc/68/34/83/411683483.db2.gz DJUFXKVZCAOBMT-RYUDHWBXSA-N 0 3 207.342 3.123 20 0 BGADHN COCc1cccc(CN2C[C@@H]3CCCC[C@@H]32)c1 ZINC000660933752 411684044 /nfs/dbraw/zinc/68/40/44/411684044.db2.gz XONWZIPCOPTJME-HOTGVXAUSA-N 0 3 245.366 3.207 20 0 BGADHN c1csc(CN2C[C@@H]3CCCC[C@@H]32)c1 ZINC000660933775 411684842 /nfs/dbraw/zinc/68/48/42/411684842.db2.gz YBSWZJFCTWYVRR-JQWIXIFHSA-N 0 3 207.342 3.123 20 0 BGADHN C(CN1C[C@@H]2CCCC[C@@H]21)OCC1CCCC1 ZINC000660934335 409978663 /nfs/dbraw/zinc/97/86/63/409978663.db2.gz PVCUWPHZALQJEM-GJZGRUSLSA-N 0 3 237.387 3.068 20 0 BGADHN CCc1ccc(CN2C[C@@H]3CCCC[C@@H]32)nc1 ZINC000660934885 411684731 /nfs/dbraw/zinc/68/47/31/411684731.db2.gz WTABVIGFCFAGLK-ZFWWWQNUSA-N 0 3 230.355 3.018 20 0 BGADHN Cc1nsc(C)c1CN1C[C@@H]2CCCC[C@@H]21 ZINC000660935260 411684817 /nfs/dbraw/zinc/68/48/17/411684817.db2.gz ZDGWTBKRHYUIFV-AAEUAGOBSA-N 0 3 236.384 3.134 20 0 BGADHN Cc1cc(CN2C[C@@H]3CCCC[C@@H]32)cs1 ZINC000660935283 411685007 /nfs/dbraw/zinc/68/50/07/411685007.db2.gz ZIXZEVWSLWOJGS-STQMWFEESA-N 0 3 221.369 3.431 20 0 BGADHN C[C@@H]1CCC[C@H](CCN(C)Cc2cnc[nH]2)C1 ZINC000661086419 411697078 /nfs/dbraw/zinc/69/70/78/411697078.db2.gz YCCAKSILEHMCBW-CHWSQXEVSA-N 0 3 235.375 3.058 20 0 BGADHN C[C@@H]1CCC[C@@H](CCN(C)Cc2cnc[nH]2)C1 ZINC000661086420 411697272 /nfs/dbraw/zinc/69/72/72/411697272.db2.gz YCCAKSILEHMCBW-OLZOCXBDSA-N 0 3 235.375 3.058 20 0 BGADHN C[C@H]1CCC[C@H](CCN(C)Cc2cnc[nH]2)C1 ZINC000661086421 411696104 /nfs/dbraw/zinc/69/61/04/411696104.db2.gz YCCAKSILEHMCBW-QWHCGFSZSA-N 0 3 235.375 3.058 20 0 BGADHN C[C@H]1CCC[C@@H](CCN(C)Cc2cnc[nH]2)C1 ZINC000661086422 411695894 /nfs/dbraw/zinc/69/58/94/411695894.db2.gz YCCAKSILEHMCBW-STQMWFEESA-N 0 3 235.375 3.058 20 0 BGADHN CCCC[C@@H](CC)CN(C)Cc1cnc[nH]1 ZINC000661089247 411698459 /nfs/dbraw/zinc/69/84/59/411698459.db2.gz ZGDLETNMOTVVGE-GFCCVEGCSA-N 0 3 223.364 3.058 20 0 BGADHN CCCC[C@@H](CC)CN(C)Cc1c[nH]cn1 ZINC000661089247 411698457 /nfs/dbraw/zinc/69/84/57/411698457.db2.gz ZGDLETNMOTVVGE-GFCCVEGCSA-N 0 3 223.364 3.058 20 0 BGADHN CCCC[C@H](CC)CN(C)Cc1cnc[nH]1 ZINC000661089248 411698994 /nfs/dbraw/zinc/69/89/94/411698994.db2.gz ZGDLETNMOTVVGE-LBPRGKRZSA-N 0 3 223.364 3.058 20 0 BGADHN CCCC[C@H](CC)CN(C)Cc1c[nH]cn1 ZINC000661089248 411698990 /nfs/dbraw/zinc/69/89/90/411698990.db2.gz ZGDLETNMOTVVGE-LBPRGKRZSA-N 0 3 223.364 3.058 20 0 BGADHN CN(Cc1cnc[nH]1)CC1CCC(C)(C)CC1 ZINC000661089269 411699353 /nfs/dbraw/zinc/69/93/53/411699353.db2.gz ZXDYWMJRQPOINO-UHFFFAOYSA-N 0 3 235.375 3.058 20 0 BGADHN CN(Cc1c[nH]cn1)CC1CCC(C)(C)CC1 ZINC000661089269 411699351 /nfs/dbraw/zinc/69/93/51/411699351.db2.gz ZXDYWMJRQPOINO-UHFFFAOYSA-N 0 3 235.375 3.058 20 0 BGADHN C[C@H](CN(C)Cc1cnc[nH]1)C1CCCCC1 ZINC000661089493 411699627 /nfs/dbraw/zinc/69/96/27/411699627.db2.gz BADBZRXDZZFQAX-GFCCVEGCSA-N 0 3 235.375 3.058 20 0 BGADHN C[C@H](CN(C)Cc1c[nH]cn1)C1CCCCC1 ZINC000661089493 411699624 /nfs/dbraw/zinc/69/96/24/411699624.db2.gz BADBZRXDZZFQAX-GFCCVEGCSA-N 0 3 235.375 3.058 20 0 BGADHN C[C@@H](CN(C)Cc1cnc[nH]1)C1CCCCC1 ZINC000661089495 411699331 /nfs/dbraw/zinc/69/93/31/411699331.db2.gz BADBZRXDZZFQAX-LBPRGKRZSA-N 0 3 235.375 3.058 20 0 BGADHN C[C@@H](CN(C)Cc1c[nH]cn1)C1CCCCC1 ZINC000661089495 411699329 /nfs/dbraw/zinc/69/93/29/411699329.db2.gz BADBZRXDZZFQAX-LBPRGKRZSA-N 0 3 235.375 3.058 20 0 BGADHN CN(CCC1CCCCCC1)Cc1cnc[nH]1 ZINC000661090046 411702586 /nfs/dbraw/zinc/70/25/86/411702586.db2.gz BZODNMYROJENDE-UHFFFAOYSA-N 0 3 235.375 3.202 20 0 BGADHN CN(Cc1cnc[nH]1)C[C@H]1CCCCC1(C)C ZINC000661091612 410164811 /nfs/dbraw/zinc/16/48/11/410164811.db2.gz CXPYLLLVEFUBEB-GFCCVEGCSA-N 0 3 235.375 3.058 20 0 BGADHN CN(Cc1c[nH]cn1)C[C@H]1CCCCC1(C)C ZINC000661091612 410164802 /nfs/dbraw/zinc/16/48/02/410164802.db2.gz CXPYLLLVEFUBEB-GFCCVEGCSA-N 0 3 235.375 3.058 20 0 BGADHN CN(Cc1cnc[nH]1)C[C@@H]1CCCCC1(C)C ZINC000661091613 410166130 /nfs/dbraw/zinc/16/61/30/410166130.db2.gz CXPYLLLVEFUBEB-LBPRGKRZSA-N 0 3 235.375 3.058 20 0 BGADHN CN(Cc1c[nH]cn1)C[C@@H]1CCCCC1(C)C ZINC000661091613 410166124 /nfs/dbraw/zinc/16/61/24/410166124.db2.gz CXPYLLLVEFUBEB-LBPRGKRZSA-N 0 3 235.375 3.058 20 0 BGADHN CC[C@H](C)N(CC)Cc1ccc(Cl)cn1 ZINC000661103642 411709530 /nfs/dbraw/zinc/70/95/30/411709530.db2.gz HVLGKGGTUHJGED-JTQLQIEISA-N 0 3 226.751 3.355 20 0 BGADHN CC[C@@H](C)N(CC)Cc1ccc(Cl)cn1 ZINC000661103643 411708457 /nfs/dbraw/zinc/70/84/57/411708457.db2.gz HVLGKGGTUHJGED-SNVBAGLBSA-N 0 3 226.751 3.355 20 0 BGADHN CC[C@@H](C)N(CC)Cc1c(C)nsc1C ZINC000661103953 410223739 /nfs/dbraw/zinc/22/37/39/410223739.db2.gz ITSOWVPPAHAMPL-SECBINFHSA-N 0 3 226.389 3.380 20 0 BGADHN CC[C@H](C)N(CC)Cc1c(C)nsc1C ZINC000661103956 410224047 /nfs/dbraw/zinc/22/40/47/410224047.db2.gz ITSOWVPPAHAMPL-VIFPVBQESA-N 0 3 226.389 3.380 20 0 BGADHN CC[C@@H](C)N(CC)Cc1nc(C)c(C)s1 ZINC000661104395 411708808 /nfs/dbraw/zinc/70/88/08/411708808.db2.gz LUSNVKOVVHBWRS-SECBINFHSA-N 0 3 226.389 3.380 20 0 BGADHN CC[C@H](C)N(CC)Cc1nc(C)c(C)s1 ZINC000661104396 411708132 /nfs/dbraw/zinc/70/81/32/411708132.db2.gz LUSNVKOVVHBWRS-VIFPVBQESA-N 0 3 226.389 3.380 20 0 BGADHN CC[C@H](C)N(CC)Cc1cc(C2CC2)no1 ZINC000661104531 411708316 /nfs/dbraw/zinc/70/83/16/411708316.db2.gz PNWNNEXHCHMJQU-JTQLQIEISA-N 0 3 222.332 3.172 20 0 BGADHN CC[C@@H](C)N(CC)Cc1cc(C2CC2)no1 ZINC000661104532 411709275 /nfs/dbraw/zinc/70/92/75/411709275.db2.gz PNWNNEXHCHMJQU-SNVBAGLBSA-N 0 3 222.332 3.172 20 0 BGADHN CC[C@@H](C)N(CC)Cc1cn2cccc(C)c2n1 ZINC000661105065 410241636 /nfs/dbraw/zinc/24/16/36/410241636.db2.gz CTOSTHFMEAUQQN-CYBMUJFWSA-N 0 3 245.370 3.263 20 0 BGADHN CC[C@H](C)N(CC)Cc1cn2cccc(C)c2n1 ZINC000661105067 410241438 /nfs/dbraw/zinc/24/14/38/410241438.db2.gz CTOSTHFMEAUQQN-ZDUSSCGKSA-N 0 3 245.370 3.263 20 0 BGADHN CCOc1cccc(CN(CC)[C@H](C)CC)n1 ZINC000661105470 411711705 /nfs/dbraw/zinc/71/17/05/411711705.db2.gz XHPZKJWMTXNULT-GFCCVEGCSA-N 0 3 236.359 3.101 20 0 BGADHN CCOc1cccc(CN(CC)[C@@H](C)CC)n1 ZINC000661105472 411710422 /nfs/dbraw/zinc/71/04/22/411710422.db2.gz XHPZKJWMTXNULT-LBPRGKRZSA-N 0 3 236.359 3.101 20 0 BGADHN CCc1nc(C)c(CN(CC)[C@@H](C)CC)o1 ZINC000661105498 411710798 /nfs/dbraw/zinc/71/07/98/411710798.db2.gz XMEAHTZTRMKAHT-JTQLQIEISA-N 0 3 224.348 3.166 20 0 BGADHN CCc1nc(C)c(CN(CC)[C@H](C)CC)o1 ZINC000661105503 411710048 /nfs/dbraw/zinc/71/00/48/411710048.db2.gz XMEAHTZTRMKAHT-SNVBAGLBSA-N 0 3 224.348 3.166 20 0 BGADHN CC[C@@H](C)N(CC)Cc1cnn(C(C)(C)C)c1 ZINC000661105508 411710088 /nfs/dbraw/zinc/71/00/88/411710088.db2.gz XRKPMKKQTJBIML-GFCCVEGCSA-N 0 3 237.391 3.259 20 0 BGADHN CC[C@H](C)N(CC)Cc1cnn(C(C)(C)C)c1 ZINC000661105509 411711693 /nfs/dbraw/zinc/71/16/93/411711693.db2.gz XRKPMKKQTJBIML-LBPRGKRZSA-N 0 3 237.391 3.259 20 0 BGADHN CC[C@@H](C)N(CC)Cc1scnc1C ZINC000661105757 411702147 /nfs/dbraw/zinc/70/21/47/411702147.db2.gz ZIPOVILLSNDRAJ-SECBINFHSA-N 0 3 212.362 3.072 20 0 BGADHN CC[C@H](C)N(CC)Cc1scnc1C ZINC000661105759 411703220 /nfs/dbraw/zinc/70/32/20/411703220.db2.gz ZIPOVILLSNDRAJ-VIFPVBQESA-N 0 3 212.362 3.072 20 0 BGADHN CC[C@@H](C)N(CC)Cc1cn2cc(C)ccc2n1 ZINC000661105791 411711473 /nfs/dbraw/zinc/71/14/73/411711473.db2.gz ITIYNMQFQXJRNG-CYBMUJFWSA-N 0 3 245.370 3.263 20 0 BGADHN CC[C@H](C)N(CC)Cc1cn2cc(C)ccc2n1 ZINC000661105792 411711544 /nfs/dbraw/zinc/71/15/44/411711544.db2.gz ITIYNMQFQXJRNG-ZDUSSCGKSA-N 0 3 245.370 3.263 20 0 BGADHN CC[C@@H](C)N(CC)Cc1nc2ccccc2n1C ZINC000661105808 411709348 /nfs/dbraw/zinc/70/93/48/411709348.db2.gz DRVODCRHRVCUIL-GFCCVEGCSA-N 0 3 245.370 3.194 20 0 BGADHN CC[C@H](C)N(CC)Cc1nc2ccccc2n1C ZINC000661105809 411708437 /nfs/dbraw/zinc/70/84/37/411708437.db2.gz DRVODCRHRVCUIL-LBPRGKRZSA-N 0 3 245.370 3.194 20 0 BGADHN CC[C@@H](C)N(CC)CC(=O)Nc1cccc(C)c1 ZINC000661106253 410250976 /nfs/dbraw/zinc/25/09/76/410250976.db2.gz MSPSLLVZYFSJFG-CYBMUJFWSA-N 0 3 248.370 3.054 20 0 BGADHN CC[C@H](C)N(CC)CC(=O)Nc1cccc(C)c1 ZINC000661106254 410250727 /nfs/dbraw/zinc/25/07/27/410250727.db2.gz MSPSLLVZYFSJFG-ZDUSSCGKSA-N 0 3 248.370 3.054 20 0 BGADHN CC[C@@H](C)N(CC)Cc1cnc(C)s1 ZINC000661106321 411711828 /nfs/dbraw/zinc/71/18/28/411711828.db2.gz HVJYMCKMHYSFIE-SECBINFHSA-N 0 3 212.362 3.072 20 0 BGADHN CC[C@H](C)N(CC)Cc1cnc(C)s1 ZINC000661106322 411710142 /nfs/dbraw/zinc/71/01/42/411710142.db2.gz HVJYMCKMHYSFIE-VIFPVBQESA-N 0 3 212.362 3.072 20 0 BGADHN CC[C@@H](C)N(CC)Cc1nc2ccccc2o1 ZINC000661107354 411711342 /nfs/dbraw/zinc/71/13/42/411711342.db2.gz QPMSDIVVHTUXBM-LLVKDONJSA-N 0 3 232.327 3.448 20 0 BGADHN CC[C@H](C)N(CC)Cc1nc2ccccc2o1 ZINC000661107355 411710179 /nfs/dbraw/zinc/71/01/79/411710179.db2.gz QPMSDIVVHTUXBM-NSHDSACASA-N 0 3 232.327 3.448 20 0 BGADHN CC[C@@H](C)N(CC)Cc1cc(OC)cc(C)n1 ZINC000661107481 411709959 /nfs/dbraw/zinc/70/99/59/411709959.db2.gz MSKYVGGPSBYFIP-GFCCVEGCSA-N 0 3 236.359 3.019 20 0 BGADHN CC[C@H](C)N(CC)Cc1cc(OC)cc(C)n1 ZINC000661107482 411710434 /nfs/dbraw/zinc/71/04/34/411710434.db2.gz MSKYVGGPSBYFIP-LBPRGKRZSA-N 0 3 236.359 3.019 20 0 BGADHN CC[C@@H](C)N(CC)CC(=O)Nc1ccccc1C ZINC000661107676 411711749 /nfs/dbraw/zinc/71/17/49/411711749.db2.gz UGJZNHPXVVAQFN-CYBMUJFWSA-N 0 3 248.370 3.054 20 0 BGADHN CC[C@H](C)N(CC)CC(=O)Nc1ccccc1C ZINC000661107677 411711243 /nfs/dbraw/zinc/71/12/43/411711243.db2.gz UGJZNHPXVVAQFN-ZDUSSCGKSA-N 0 3 248.370 3.054 20 0 BGADHN CCOc1ccc(CN(CC)[C@H](C)CC)nc1 ZINC000661109083 411712167 /nfs/dbraw/zinc/71/21/67/411712167.db2.gz OWMVRKVJBUQEHQ-GFCCVEGCSA-N 0 3 236.359 3.101 20 0 BGADHN CCOc1ccc(CN(CC)[C@@H](C)CC)nc1 ZINC000661109084 411713230 /nfs/dbraw/zinc/71/32/30/411713230.db2.gz OWMVRKVJBUQEHQ-LBPRGKRZSA-N 0 3 236.359 3.101 20 0 BGADHN CCc1noc(C)c1CN(CC)[C@@H](C)CC ZINC000661109504 411712142 /nfs/dbraw/zinc/71/21/42/411712142.db2.gz RIGMSNHKURNNQV-JTQLQIEISA-N 0 3 224.348 3.166 20 0 BGADHN CCc1noc(C)c1CN(CC)[C@H](C)CC ZINC000661109505 411711147 /nfs/dbraw/zinc/71/11/47/411711147.db2.gz RIGMSNHKURNNQV-SNVBAGLBSA-N 0 3 224.348 3.166 20 0 BGADHN CC[C@@H](C)N(CC)Cc1cn2c(cccc2C)n1 ZINC000661109543 410263495 /nfs/dbraw/zinc/26/34/95/410263495.db2.gz SDFXMWQKDVCHRI-GFCCVEGCSA-N 0 3 245.370 3.263 20 0 BGADHN CC[C@H](C)N(CC)Cc1cn2c(cccc2C)n1 ZINC000661109544 410263793 /nfs/dbraw/zinc/26/37/93/410263793.db2.gz SDFXMWQKDVCHRI-LBPRGKRZSA-N 0 3 245.370 3.263 20 0 BGADHN CC[C@@H](C)N(CC)Cc1ccn(C(C)C)n1 ZINC000661110490 410269644 /nfs/dbraw/zinc/26/96/44/410269644.db2.gz ZIWCBGCXDWNRNZ-GFCCVEGCSA-N 0 3 223.364 3.084 20 0 BGADHN CC[C@H](C)N(CC)Cc1ccn(C(C)C)n1 ZINC000661110491 410270411 /nfs/dbraw/zinc/27/04/11/410270411.db2.gz ZIWCBGCXDWNRNZ-LBPRGKRZSA-N 0 3 223.364 3.084 20 0 BGADHN CC[C@@H](C)N(CC)CC(=O)Nc1ccc(C)cc1 ZINC000661110510 410270492 /nfs/dbraw/zinc/27/04/92/410270492.db2.gz ZXZVVEBOAHDUCY-CYBMUJFWSA-N 0 3 248.370 3.054 20 0 BGADHN CC[C@H](C)N(CC)CC(=O)Nc1ccc(C)cc1 ZINC000661110511 410268242 /nfs/dbraw/zinc/26/82/42/410268242.db2.gz ZXZVVEBOAHDUCY-ZDUSSCGKSA-N 0 3 248.370 3.054 20 0 BGADHN CC(C)(C)N(Cc1ccsc1)Cc1cnc[nH]1 ZINC000661137062 411717348 /nfs/dbraw/zinc/71/73/48/411717348.db2.gz YMEJOHDNQYQKIV-UHFFFAOYSA-N 0 3 249.383 3.272 20 0 BGADHN CCOCCN(Cc1ccsc1)C(C)(C)C ZINC000661137089 411716983 /nfs/dbraw/zinc/71/69/83/411716983.db2.gz ZDXPDVFXWAGFQG-UHFFFAOYSA-N 0 3 241.400 3.385 20 0 BGADHN CC(C)=CCN1CCC(c2ccco2)CC1 ZINC000661160865 410312972 /nfs/dbraw/zinc/31/29/72/410312972.db2.gz FKGTZKGMRVRTIC-UHFFFAOYSA-N 0 3 219.328 3.425 20 0 BGADHN C[C@H]1CC[C@H](CN2CCC(c3ccco3)CC2)O1 ZINC000661160920 411724272 /nfs/dbraw/zinc/72/42/72/411724272.db2.gz GVWJGTZSMFBEPQ-GXTWGEPZSA-N 0 3 249.354 3.027 20 0 BGADHN C[C@H]1CC[C@@H](CN2CCC(c3ccco3)CC2)O1 ZINC000661160921 411723425 /nfs/dbraw/zinc/72/34/25/411723425.db2.gz GVWJGTZSMFBEPQ-JSGCOSHPSA-N 0 3 249.354 3.027 20 0 BGADHN C[C@@H]1CC[C@@H](CN2CCC(c3ccco3)CC2)O1 ZINC000661160922 410312443 /nfs/dbraw/zinc/31/24/43/410312443.db2.gz GVWJGTZSMFBEPQ-OCCSQVGLSA-N 0 3 249.354 3.027 20 0 BGADHN C[C@@H]1CC[C@H](CN2CCC(c3ccco3)CC2)O1 ZINC000661160924 410312755 /nfs/dbraw/zinc/31/27/55/410312755.db2.gz GVWJGTZSMFBEPQ-TZMCWYRMSA-N 0 3 249.354 3.027 20 0 BGADHN CC1(C)C[C@@H](N2CCC(c3ccco3)CC2)CO1 ZINC000661161021 411724548 /nfs/dbraw/zinc/72/45/48/411724548.db2.gz JQSXWJSYQAYJFH-CYBMUJFWSA-N 0 3 249.354 3.027 20 0 BGADHN CC1(C)C[C@H](N2CCC(c3ccco3)CC2)CO1 ZINC000661161023 411723614 /nfs/dbraw/zinc/72/36/14/411723614.db2.gz JQSXWJSYQAYJFH-ZDUSSCGKSA-N 0 3 249.354 3.027 20 0 BGADHN CCC(=O)CCCN1CCC(c2ccco2)CC1 ZINC000661161552 411724933 /nfs/dbraw/zinc/72/49/33/411724933.db2.gz UJKGTXNZIPNHSY-UHFFFAOYSA-N 0 3 249.354 3.218 20 0 BGADHN FCCCCN1CCC(c2ccco2)CC1 ZINC000661161574 411724486 /nfs/dbraw/zinc/72/44/86/411724486.db2.gz VDOCUVFQPHHMJX-UHFFFAOYSA-N 0 3 225.307 3.209 20 0 BGADHN c1coc(C2CCN(CCOC3CCC3)CC2)c1 ZINC000661161830 411724478 /nfs/dbraw/zinc/72/44/78/411724478.db2.gz YSFPFWTZSSXPAX-UHFFFAOYSA-N 0 3 249.354 3.028 20 0 BGADHN c1coc(C2CCN(C[C@@H]3CCCCO3)CC2)c1 ZINC000661163376 411723623 /nfs/dbraw/zinc/72/36/23/411723623.db2.gz LVFUHDAJAXKATD-AWEZNQCLSA-N 0 3 249.354 3.028 20 0 BGADHN c1coc(C2CCN(C[C@H]3CCCCO3)CC2)c1 ZINC000661163378 411724952 /nfs/dbraw/zinc/72/49/52/411724952.db2.gz LVFUHDAJAXKATD-CQSZACIVSA-N 0 3 249.354 3.028 20 0 BGADHN C[C@@H](c1ccccc1)N1CCO[C@](C)(C2CC2)C1 ZINC000661165448 410314053 /nfs/dbraw/zinc/31/40/53/410314053.db2.gz AOALLOTZFKLZHS-BBRMVZONSA-N 0 3 245.366 3.249 20 0 BGADHN C[C@H](c1ccccc1)N1CCO[C@](C)(C2CC2)C1 ZINC000661165450 410314001 /nfs/dbraw/zinc/31/40/01/410314001.db2.gz AOALLOTZFKLZHS-CJNGLKHVSA-N 0 3 245.366 3.249 20 0 BGADHN C[C@H](c1ccccc1)N1CCO[C@@](C)(C2CC2)C1 ZINC000661165452 410314527 /nfs/dbraw/zinc/31/45/27/410314527.db2.gz AOALLOTZFKLZHS-CZUORRHYSA-N 0 3 245.366 3.249 20 0 BGADHN C[C@@H](c1ccccc1)N1CCO[C@@](C)(C2CC2)C1 ZINC000661165454 410314330 /nfs/dbraw/zinc/31/43/30/410314330.db2.gz AOALLOTZFKLZHS-XJKSGUPXSA-N 0 3 245.366 3.249 20 0 BGADHN c1cc(CN2CCCC3(CCCC3)CC2)on1 ZINC000661228154 411735659 /nfs/dbraw/zinc/73/56/59/411735659.db2.gz ODSTYWZFGMHOMJ-UHFFFAOYSA-N 0 3 234.343 3.221 20 0 BGADHN FC(F)CN1CCCC2(CCCC2)CC1 ZINC000661228828 411735594 /nfs/dbraw/zinc/73/55/94/411735594.db2.gz VJMVDZRTMAWCCG-UHFFFAOYSA-N 0 3 217.303 3.298 20 0 BGADHN CCC(C)(C)[C@@H](C)NCc1cc(C)ccn1 ZINC000661230763 411738140 /nfs/dbraw/zinc/73/81/40/411738140.db2.gz DBBIRZMOPXTEJW-GFCCVEGCSA-N 0 3 220.360 3.304 20 0 BGADHN CCC(C)(C)[C@H](C)NCc1cc(C)ccn1 ZINC000661230766 411733921 /nfs/dbraw/zinc/73/39/21/411733921.db2.gz DBBIRZMOPXTEJW-LBPRGKRZSA-N 0 3 220.360 3.304 20 0 BGADHN CCC(C)(C)[C@H](C)NCc1nc(C)oc1C ZINC000661231038 410378135 /nfs/dbraw/zinc/37/81/35/410378135.db2.gz HHJDCAJQBAKQNF-JTQLQIEISA-N 0 3 224.348 3.206 20 0 BGADHN CCC(C)(C)[C@@H](C)NCc1nc(C)oc1C ZINC000661231039 410378775 /nfs/dbraw/zinc/37/87/75/410378775.db2.gz HHJDCAJQBAKQNF-SNVBAGLBSA-N 0 3 224.348 3.206 20 0 BGADHN CCC(C)(C)[C@H](C)NCc1oc(C)nc1C ZINC000661231605 411738163 /nfs/dbraw/zinc/73/81/63/411738163.db2.gz OUNBSGLZKVJJCR-JTQLQIEISA-N 0 3 224.348 3.206 20 0 BGADHN CCC(C)(C)[C@@H](C)NCc1oc(C)nc1C ZINC000661231617 411737853 /nfs/dbraw/zinc/73/78/53/411737853.db2.gz OUNBSGLZKVJJCR-SNVBAGLBSA-N 0 3 224.348 3.206 20 0 BGADHN CCC(C)(C)[C@@H](C)NCc1ccc(OC)cn1 ZINC000661231640 411736988 /nfs/dbraw/zinc/73/69/88/411736988.db2.gz PNBVZUWFYJLJRF-LLVKDONJSA-N 0 3 236.359 3.005 20 0 BGADHN CCC(C)(C)[C@H](C)NCc1ccc(OC)cn1 ZINC000661231641 411738264 /nfs/dbraw/zinc/73/82/64/411738264.db2.gz PNBVZUWFYJLJRF-NSHDSACASA-N 0 3 236.359 3.005 20 0 BGADHN CCC(C)(C)[C@H](C)NCc1cc(C2CC2)no1 ZINC000661231664 411737948 /nfs/dbraw/zinc/73/79/48/411737948.db2.gz QYJMBXFDGFCOGB-JTQLQIEISA-N 0 3 236.359 3.466 20 0 BGADHN CCC(C)(C)[C@@H](C)NCc1cc(C2CC2)no1 ZINC000661231665 411737710 /nfs/dbraw/zinc/73/77/10/411737710.db2.gz QYJMBXFDGFCOGB-SNVBAGLBSA-N 0 3 236.359 3.466 20 0 BGADHN CCc1nocc1CN[C@@H](C)C(C)(C)CC ZINC000661231934 411737179 /nfs/dbraw/zinc/73/71/79/411737179.db2.gz SEDUPUUYGGQGPW-JTQLQIEISA-N 0 3 224.348 3.151 20 0 BGADHN CCc1nocc1CN[C@H](C)C(C)(C)CC ZINC000661231935 411737112 /nfs/dbraw/zinc/73/71/12/411737112.db2.gz SEDUPUUYGGQGPW-SNVBAGLBSA-N 0 3 224.348 3.151 20 0 BGADHN CCC(C)(C)[C@@H](C)NCc1cc(OC)ns1 ZINC000661232283 411738174 /nfs/dbraw/zinc/73/81/74/411738174.db2.gz WRUIFURTUMYDKD-SECBINFHSA-N 0 3 242.388 3.066 20 0 BGADHN CCC(C)(C)[C@H](C)NCc1cc(OC)ns1 ZINC000661232284 411737989 /nfs/dbraw/zinc/73/79/89/411737989.db2.gz WRUIFURTUMYDKD-VIFPVBQESA-N 0 3 242.388 3.066 20 0 BGADHN CCC(C)(C)[C@@H](C)NCc1cc(OC)ccn1 ZINC000661232595 411737779 /nfs/dbraw/zinc/73/77/79/411737779.db2.gz IYWMNYLJWCDZNE-LLVKDONJSA-N 0 3 236.359 3.005 20 0 BGADHN CCC(C)(C)[C@H](C)NCc1cc(OC)ccn1 ZINC000661232596 411736883 /nfs/dbraw/zinc/73/68/83/411736883.db2.gz IYWMNYLJWCDZNE-NSHDSACASA-N 0 3 236.359 3.005 20 0 BGADHN Cc1ccc2c(c1)CN(CCOC(C)(C)C)CC2 ZINC000661371263 411756302 /nfs/dbraw/zinc/75/63/02/411756302.db2.gz GTWSDBPJGNQASC-UHFFFAOYSA-N 0 3 247.382 3.168 20 0 BGADHN Cc1ccc2c(c1)CN(CCCCF)CC2 ZINC000661371733 411757707 /nfs/dbraw/zinc/75/77/07/411757707.db2.gz NZDGFSIJBXLPQU-UHFFFAOYSA-N 0 3 221.319 3.103 20 0 BGADHN CCC(=O)CCCN1CCc2ccc(C)cc2C1 ZINC000661371946 411757274 /nfs/dbraw/zinc/75/72/74/411757274.db2.gz TWDCJCBRWIVLGZ-UHFFFAOYSA-N 0 3 245.366 3.112 20 0 BGADHN Cc1noc(C)c1CN1CCC(C2CCC2)CC1 ZINC000661373329 411758909 /nfs/dbraw/zinc/75/89/09/411758909.db2.gz ALQMGCOAZZDJPH-UHFFFAOYSA-N 0 3 248.370 3.304 20 0 BGADHN COC[C@@H](C)N1CCc2ccc(C(C)C)cc2C1 ZINC000661373379 411758992 /nfs/dbraw/zinc/75/89/92/411758992.db2.gz JDQUODQKRYXYIR-CYBMUJFWSA-N 0 3 247.382 3.203 20 0 BGADHN COC[C@H](C)N1CCc2ccc(C(C)C)cc2C1 ZINC000661373381 411758482 /nfs/dbraw/zinc/75/84/82/411758482.db2.gz JDQUODQKRYXYIR-ZDUSSCGKSA-N 0 3 247.382 3.203 20 0 BGADHN Cc1nc(C)c(CN2CCC(C3CCC3)CC2)o1 ZINC000661373692 411759272 /nfs/dbraw/zinc/75/92/72/411759272.db2.gz DHWRSFMZGVLXGR-UHFFFAOYSA-N 0 3 248.370 3.304 20 0 BGADHN Cc1ccc(CN2CCC(C3CCC3)CC2)nc1 ZINC000661373765 411759218 /nfs/dbraw/zinc/75/92/18/411759218.db2.gz GZTGVFYICKFRKO-UHFFFAOYSA-N 0 3 244.382 3.402 20 0 BGADHN CO[C@H](C)CN1CCc2ccc(C(C)C)cc2C1 ZINC000661373851 411759196 /nfs/dbraw/zinc/75/91/96/411759196.db2.gz MLYPEVARIRRERQ-CYBMUJFWSA-N 0 3 247.382 3.203 20 0 BGADHN CO[C@@H](C)CN1CCc2ccc(C(C)C)cc2C1 ZINC000661373853 411758894 /nfs/dbraw/zinc/75/88/94/411758894.db2.gz MLYPEVARIRRERQ-ZDUSSCGKSA-N 0 3 247.382 3.203 20 0 BGADHN COCCCN1CCc2ccc(C(C)C)cc2C1 ZINC000661373944 411758602 /nfs/dbraw/zinc/75/86/02/411758602.db2.gz PCFDAIXNUGNCFZ-UHFFFAOYSA-N 0 3 247.382 3.205 20 0 BGADHN Cc1ncccc1CN1CCC(C2CCC2)CC1 ZINC000661374158 411758876 /nfs/dbraw/zinc/75/88/76/411758876.db2.gz KRBFRSPCAGJTRK-UHFFFAOYSA-N 0 3 244.382 3.402 20 0 BGADHN C[C@H](c1cnccn1)N1CCC(C2CCC2)CC1 ZINC000661374573 411758939 /nfs/dbraw/zinc/75/89/39/411758939.db2.gz MSZVKTXZZFRXLT-GFCCVEGCSA-N 0 3 245.370 3.050 20 0 BGADHN C[C@@H](c1cnccn1)N1CCC(C2CCC2)CC1 ZINC000661374574 411758795 /nfs/dbraw/zinc/75/87/95/411758795.db2.gz MSZVKTXZZFRXLT-LBPRGKRZSA-N 0 3 245.370 3.050 20 0 BGADHN CCc1nocc1CN1CCC(C2CCC2)CC1 ZINC000661374583 411758323 /nfs/dbraw/zinc/75/83/23/411758323.db2.gz MXGQATLQIQCNPX-UHFFFAOYSA-N 0 3 248.370 3.249 20 0 BGADHN Cc1cncc(CN2CCC(C3CCC3)CC2)c1 ZINC000661374933 411758759 /nfs/dbraw/zinc/75/87/59/411758759.db2.gz QKCRFGZNKWRDDI-UHFFFAOYSA-N 0 3 244.382 3.402 20 0 BGADHN FC(F)(F)CCN1CCC(C2CCC2)CC1 ZINC000661374947 411758920 /nfs/dbraw/zinc/75/89/20/411758920.db2.gz QWWRAWJTOXDDIE-UHFFFAOYSA-N 0 3 235.293 3.451 20 0 BGADHN Cc1cccnc1CN1CCC(C2CCC2)CC1 ZINC000661374954 411759161 /nfs/dbraw/zinc/75/91/61/411759161.db2.gz QYGBRIQKAFBJDQ-UHFFFAOYSA-N 0 3 244.382 3.402 20 0 BGADHN Cc1ccncc1CN1CCC(C2CCC2)CC1 ZINC000661375167 411759081 /nfs/dbraw/zinc/75/90/81/411759081.db2.gz VVXFNAMSSAUFQY-UHFFFAOYSA-N 0 3 244.382 3.402 20 0 BGADHN Cc1ccnc(CN2CCC(C3CCC3)CC2)c1 ZINC000661375187 411758936 /nfs/dbraw/zinc/75/89/36/411758936.db2.gz WKJRVOBQIWSWIM-UHFFFAOYSA-N 0 3 244.382 3.402 20 0 BGADHN CCC(=O)CCCN1CCC(C2CCC2)CC1 ZINC000661375251 411758845 /nfs/dbraw/zinc/75/88/45/411758845.db2.gz XTPWLMSHWGXUIJ-UHFFFAOYSA-N 0 3 237.387 3.258 20 0 BGADHN Cc1cccc(CN2CCC(C3CCC3)CC2)n1 ZINC000661375254 411758998 /nfs/dbraw/zinc/75/89/98/411758998.db2.gz XUKMDMVWVBZXIW-UHFFFAOYSA-N 0 3 244.382 3.402 20 0 BGADHN c1cncc(CN2CCC(C3CCC3)CC2)c1 ZINC000661375609 411758752 /nfs/dbraw/zinc/75/87/52/411758752.db2.gz BFFYMZGLZRSZHM-UHFFFAOYSA-N 0 3 230.355 3.094 20 0 BGADHN Cc1ccc2c(c1)CN(CCCOC(C)C)CC2 ZINC000661375939 411760629 /nfs/dbraw/zinc/76/06/29/411760629.db2.gz SZSKDMDIQPTLAQ-UHFFFAOYSA-N 0 3 247.382 3.168 20 0 BGADHN c1ccc(CN2CCC(C3CCC3)CC2)nc1 ZINC000661377054 487550970 /nfs/dbraw/zinc/55/09/70/487550970.db2.gz QWGLTLXQMZVHAF-UHFFFAOYSA-N 0 3 230.355 3.094 20 0 BGADHN c1cc(CN2CCC(C3CCC3)CC2)ccn1 ZINC000661377331 487550916 /nfs/dbraw/zinc/55/09/16/487550916.db2.gz VBMWCTRLXZYFIS-UHFFFAOYSA-N 0 3 230.355 3.094 20 0 BGADHN c1ncc(CN2CCC(C3CCC3)CC2)s1 ZINC000661377485 411760707 /nfs/dbraw/zinc/76/07/07/411760707.db2.gz OGEPUSINEHWHQV-UHFFFAOYSA-N 0 3 236.384 3.155 20 0 BGADHN Cc1ccc(CN2CCC(C3CCC3)CC2)cn1 ZINC000661377696 411760222 /nfs/dbraw/zinc/76/02/22/411760222.db2.gz RKHDSKJQRHKBKA-UHFFFAOYSA-N 0 3 244.382 3.402 20 0 BGADHN CC[C@H](CN[C@H](C)c1cscn1)CC(F)F ZINC000661416669 411772313 /nfs/dbraw/zinc/77/23/13/411772313.db2.gz ZECXWCMKVMHUQR-BDAKNGLRSA-N 0 3 248.342 3.475 20 0 BGADHN CC[C@@H](CN[C@@H](C)c1cscn1)CC(F)F ZINC000661416671 411771601 /nfs/dbraw/zinc/77/16/01/411771601.db2.gz ZECXWCMKVMHUQR-DTWKUNHWSA-N 0 3 248.342 3.475 20 0 BGADHN CC[C@H](CN[C@@H](C)c1cscn1)CC(F)F ZINC000661416673 411771953 /nfs/dbraw/zinc/77/19/53/411771953.db2.gz ZECXWCMKVMHUQR-IUCAKERBSA-N 0 3 248.342 3.475 20 0 BGADHN CC[C@@H](CN[C@H](C)c1cscn1)CC(F)F ZINC000661416674 411771644 /nfs/dbraw/zinc/77/16/44/411771644.db2.gz ZECXWCMKVMHUQR-RKDXNWHRSA-N 0 3 248.342 3.475 20 0 BGADHN CC(C)C[C@@H](C)CN[C@H](C)c1cscn1 ZINC000661417582 410633944 /nfs/dbraw/zinc/63/39/44/410633944.db2.gz HXGZPZKREJYBKJ-GHMZBOCLSA-N 0 3 226.389 3.476 20 0 BGADHN CC(C)C[C@@H](C)CN[C@@H](C)c1cscn1 ZINC000661417585 410633783 /nfs/dbraw/zinc/63/37/83/410633783.db2.gz HXGZPZKREJYBKJ-MNOVXSKESA-N 0 3 226.389 3.476 20 0 BGADHN CC(C)C[C@H](C)CN[C@@H](C)c1cscn1 ZINC000661417587 410634599 /nfs/dbraw/zinc/63/45/99/410634599.db2.gz HXGZPZKREJYBKJ-QWRGUYRKSA-N 0 3 226.389 3.476 20 0 BGADHN CC(C)C[C@H](C)CN[C@H](C)c1cscn1 ZINC000661417592 410634446 /nfs/dbraw/zinc/63/44/46/410634446.db2.gz HXGZPZKREJYBKJ-WDEREUQCSA-N 0 3 226.389 3.476 20 0 BGADHN COCCCN1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000661438445 411775732 /nfs/dbraw/zinc/77/57/32/411775732.db2.gz UVSXPXPZKGYFBO-AWEZNQCLSA-N 0 3 249.354 3.233 20 0 BGADHN COCCCN1CC2(CCCC2)[C@H]1c1ccco1 ZINC000661438446 411776610 /nfs/dbraw/zinc/77/66/10/411776610.db2.gz UVSXPXPZKGYFBO-CQSZACIVSA-N 0 3 249.354 3.233 20 0 BGADHN CCN1CC2(CCCC2)[C@H]1c1ccco1 ZINC000661445597 411778918 /nfs/dbraw/zinc/77/89/18/411778918.db2.gz IXOLKIHSPUWQKO-GFCCVEGCSA-N 0 3 205.301 3.217 20 0 BGADHN CCN1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000661445598 411778844 /nfs/dbraw/zinc/77/88/44/411778844.db2.gz IXOLKIHSPUWQKO-LBPRGKRZSA-N 0 3 205.301 3.217 20 0 BGADHN Cc1ccccc1CN1CC2(CCC2)OC[C@@H]1C ZINC000661471410 411785112 /nfs/dbraw/zinc/78/51/12/411785112.db2.gz DQZADCHLHFRWJY-AWEZNQCLSA-N 0 3 245.366 3.138 20 0 BGADHN Cc1ccccc1CN1CC2(CCC2)OC[C@H]1C ZINC000661471411 411785534 /nfs/dbraw/zinc/78/55/34/411785534.db2.gz DQZADCHLHFRWJY-CQSZACIVSA-N 0 3 245.366 3.138 20 0 BGADHN Cc1cccc(CN2CC3(CCC3)OC[C@@H]2C)c1 ZINC000661472570 490685335 /nfs/dbraw/zinc/68/53/35/490685335.db2.gz WDAMYTODVSHMKV-AWEZNQCLSA-N 0 3 245.366 3.138 20 0 BGADHN Cc1cccc(CN2CC3(CCC3)OC[C@H]2C)c1 ZINC000661472571 490685548 /nfs/dbraw/zinc/68/55/48/490685548.db2.gz WDAMYTODVSHMKV-CQSZACIVSA-N 0 3 245.366 3.138 20 0 BGADHN CC(C)[C@@H](NCCCF)c1ccccc1F ZINC000661482509 410695526 /nfs/dbraw/zinc/69/55/26/410695526.db2.gz AWZVCBLUHZQXAC-CYBMUJFWSA-N 0 3 227.298 3.472 20 0 BGADHN CC(C)[C@H](NCCCF)c1ccccc1F ZINC000661482511 410694950 /nfs/dbraw/zinc/69/49/50/410694950.db2.gz AWZVCBLUHZQXAC-ZDUSSCGKSA-N 0 3 227.298 3.472 20 0 BGADHN CO[C@H](C)CN[C@@H](c1ccccc1F)C(C)C ZINC000661483064 410695643 /nfs/dbraw/zinc/69/56/43/410695643.db2.gz FMDUPLFNFSBHFZ-BXUZGUMPSA-N 0 3 239.334 3.147 20 0 BGADHN CO[C@@H](C)CN[C@H](c1ccccc1F)C(C)C ZINC000661483081 410695807 /nfs/dbraw/zinc/69/58/07/410695807.db2.gz FMDUPLFNFSBHFZ-FZMZJTMJSA-N 0 3 239.334 3.147 20 0 BGADHN CO[C@H](C)CN[C@H](c1ccccc1F)C(C)C ZINC000661483086 410695654 /nfs/dbraw/zinc/69/56/54/410695654.db2.gz FMDUPLFNFSBHFZ-RISCZKNCSA-N 0 3 239.334 3.147 20 0 BGADHN CO[C@@H](C)CN[C@@H](c1ccccc1F)C(C)C ZINC000661483091 410695968 /nfs/dbraw/zinc/69/59/68/410695968.db2.gz FMDUPLFNFSBHFZ-SMDDNHRTSA-N 0 3 239.334 3.147 20 0 BGADHN CCOCCN[C@H](c1ccccc1F)C(C)C ZINC000661486019 411784795 /nfs/dbraw/zinc/78/47/95/411784795.db2.gz SKRSBPRHTVNKKY-AWEZNQCLSA-N 0 3 239.334 3.149 20 0 BGADHN CCOCCN[C@@H](c1ccccc1F)C(C)C ZINC000661486020 411784523 /nfs/dbraw/zinc/78/45/23/411784523.db2.gz SKRSBPRHTVNKKY-CQSZACIVSA-N 0 3 239.334 3.149 20 0 BGADHN Fc1ccc([C@@H]2CCN2CC2CCC2)cc1 ZINC000661508593 411792600 /nfs/dbraw/zinc/79/26/00/411792600.db2.gz PAXZFWZLHQHRQT-AWEZNQCLSA-N 0 3 219.303 3.373 20 0 BGADHN Fc1ccc([C@H]2CCN2CC2CCC2)cc1 ZINC000661508595 411791693 /nfs/dbraw/zinc/79/16/93/411791693.db2.gz PAXZFWZLHQHRQT-CQSZACIVSA-N 0 3 219.303 3.373 20 0 BGADHN CC(C)CN1CC[C@@H]1c1ccc(F)cc1 ZINC000661511776 411793228 /nfs/dbraw/zinc/79/32/28/411793228.db2.gz MHCOQZDARVQAAL-CYBMUJFWSA-N 0 3 207.292 3.229 20 0 BGADHN CC(C)CN1CC[C@H]1c1ccc(F)cc1 ZINC000661511779 411794487 /nfs/dbraw/zinc/79/44/87/411794487.db2.gz MHCOQZDARVQAAL-ZDUSSCGKSA-N 0 3 207.292 3.229 20 0 BGADHN FCCCCN1CC[C@@H]1c1ccc(F)cc1 ZINC000661512512 411794045 /nfs/dbraw/zinc/79/40/45/411794045.db2.gz KMQIWMGZHRGLIG-CYBMUJFWSA-N 0 3 225.282 3.322 20 0 BGADHN FCCCCN1CC[C@H]1c1ccc(F)cc1 ZINC000661512515 411794909 /nfs/dbraw/zinc/79/49/09/411794909.db2.gz KMQIWMGZHRGLIG-ZDUSSCGKSA-N 0 3 225.282 3.322 20 0 BGADHN CCCCN1CC[C@@H]1c1ccc(F)cc1 ZINC000661512941 411793395 /nfs/dbraw/zinc/79/33/95/411793395.db2.gz QAVSRDIYHSDMKP-CYBMUJFWSA-N 0 3 207.292 3.373 20 0 BGADHN CCCCN1CC[C@H]1c1ccc(F)cc1 ZINC000661512943 411793412 /nfs/dbraw/zinc/79/34/12/411793412.db2.gz QAVSRDIYHSDMKP-ZDUSSCGKSA-N 0 3 207.292 3.373 20 0 BGADHN Fc1ccc([C@@H]2CCN2CC[C@H]2CCCO2)cc1 ZINC000661513235 411794015 /nfs/dbraw/zinc/79/40/15/411794015.db2.gz NBVBJFTVVLKIEL-CABCVRRESA-N 0 3 249.329 3.142 20 0 BGADHN Fc1ccc([C@@H]2CCN2CC[C@@H]2CCCO2)cc1 ZINC000661513237 411793781 /nfs/dbraw/zinc/79/37/81/411793781.db2.gz NBVBJFTVVLKIEL-GJZGRUSLSA-N 0 3 249.329 3.142 20 0 BGADHN Fc1ccc([C@H]2CCN2CC[C@H]2CCCO2)cc1 ZINC000661513238 411794496 /nfs/dbraw/zinc/79/44/96/411794496.db2.gz NBVBJFTVVLKIEL-HUUCEWRRSA-N 0 3 249.329 3.142 20 0 BGADHN Fc1ccc([C@H]2CCN2CC[C@@H]2CCCO2)cc1 ZINC000661513240 411793866 /nfs/dbraw/zinc/79/38/66/411793866.db2.gz NBVBJFTVVLKIEL-LSDHHAIUSA-N 0 3 249.329 3.142 20 0 BGADHN Fc1ccc([C@@H]2CCN2CCC2CC2)cc1 ZINC000661515317 411794385 /nfs/dbraw/zinc/79/43/85/411794385.db2.gz XAESVWXMGVRKQH-AWEZNQCLSA-N 0 3 219.303 3.373 20 0 BGADHN Fc1ccc([C@H]2CCN2CCC2CC2)cc1 ZINC000661515318 411794786 /nfs/dbraw/zinc/79/47/86/411794786.db2.gz XAESVWXMGVRKQH-CQSZACIVSA-N 0 3 219.303 3.373 20 0 BGADHN CN(Cc1c[nH]cn1)C1CC(C)(C)CC(C)(C)C1 ZINC000661535979 411798689 /nfs/dbraw/zinc/79/86/89/411798689.db2.gz SLFRVDKNFUENIY-UHFFFAOYSA-N 0 3 249.402 3.446 20 0 BGADHN CC(C)CN1CC2(CCOCC2)[C@@H]1c1ccco1 ZINC000661562110 410833528 /nfs/dbraw/zinc/83/35/28/410833528.db2.gz PPDLOAMIXQGTKY-AWEZNQCLSA-N 0 3 249.354 3.089 20 0 BGADHN CC(C)CN1CC2(CCOCC2)[C@H]1c1ccco1 ZINC000661562272 410834224 /nfs/dbraw/zinc/83/42/24/410834224.db2.gz PPDLOAMIXQGTKY-CQSZACIVSA-N 0 3 249.354 3.089 20 0 BGADHN Cc1cc(CN2CC[C@H](C3CCCCC3)C2)on1 ZINC000661577610 410905645 /nfs/dbraw/zinc/90/56/45/410905645.db2.gz DETXFDMLLPOETR-AWEZNQCLSA-N 0 3 248.370 3.385 20 0 BGADHN Cc1cc(CN2CC[C@@H](C3CCCCC3)C2)on1 ZINC000661577611 410905050 /nfs/dbraw/zinc/90/50/50/410905050.db2.gz DETXFDMLLPOETR-CQSZACIVSA-N 0 3 248.370 3.385 20 0 BGADHN c1cc(CN2CC[C@@H](C3CCCCC3)C2)on1 ZINC000661578684 411807517 /nfs/dbraw/zinc/80/75/17/411807517.db2.gz RPDLUPGKILUBFC-CYBMUJFWSA-N 0 3 234.343 3.077 20 0 BGADHN c1cc(CN2CC[C@H](C3CCCCC3)C2)on1 ZINC000661578685 411807541 /nfs/dbraw/zinc/80/75/41/411807541.db2.gz RPDLUPGKILUBFC-ZDUSSCGKSA-N 0 3 234.343 3.077 20 0 BGADHN Cc1nocc1CN1CC[C@H](C2CCCCC2)C1 ZINC000661579636 410916438 /nfs/dbraw/zinc/91/64/38/410916438.db2.gz ZCDCGVWVVOXECZ-AWEZNQCLSA-N 0 3 248.370 3.385 20 0 BGADHN Cc1nocc1CN1CC[C@@H](C2CCCCC2)C1 ZINC000661579637 410915735 /nfs/dbraw/zinc/91/57/35/410915735.db2.gz ZCDCGVWVVOXECZ-CQSZACIVSA-N 0 3 248.370 3.385 20 0 BGADHN Cn1ccc(CN2CCC(C)(C)CC(C)(C)C2)n1 ZINC000661624513 411082055 /nfs/dbraw/zinc/08/20/55/411082055.db2.gz AEWSJKHUTITLIA-UHFFFAOYSA-N 0 3 249.402 3.068 20 0 BGADHN Cn1ccnc1CN1CCC(C)(C)CC(C)(C)C1 ZINC000661625430 411822763 /nfs/dbraw/zinc/82/27/63/411822763.db2.gz FGTSXCRDUBVUNW-UHFFFAOYSA-N 0 3 249.402 3.068 20 0 BGADHN Cn1cncc1CN1CCC(C)(C)CC(C)(C)C1 ZINC000661625783 411821541 /nfs/dbraw/zinc/82/15/41/411821541.db2.gz GXVBSUPTBPBRPV-UHFFFAOYSA-N 0 3 249.402 3.068 20 0 BGADHN Cn1nccc1CN1CCC(C)(C)CC(C)(C)C1 ZINC000661626291 411092605 /nfs/dbraw/zinc/09/26/05/411092605.db2.gz JCCLSDSXDBEQNH-UHFFFAOYSA-N 0 3 249.402 3.068 20 0 BGADHN Cn1cnc(CN2CCC(C)(C)CC(C)(C)C2)c1 ZINC000661626532 411822407 /nfs/dbraw/zinc/82/24/07/411822407.db2.gz KNARBRMQIVHIKK-UHFFFAOYSA-N 0 3 249.402 3.068 20 0 BGADHN CC1(C)CCN(Cc2ccon2)CC(C)(C)C1 ZINC000661627008 411822198 /nfs/dbraw/zinc/82/21/98/411822198.db2.gz MXNOTWMLXONUMA-UHFFFAOYSA-N 0 3 236.359 3.323 20 0 BGADHN CC1(C)CCN(Cc2cc[nH]n2)CC(C)(C)C1 ZINC000661627173 411821722 /nfs/dbraw/zinc/82/17/22/411821722.db2.gz NOHHZTIWUXXDCF-UHFFFAOYSA-N 0 3 235.375 3.058 20 0 BGADHN CC1(C)CCN(Cc2c[nH]cn2)CC(C)(C)C1 ZINC000661627193 411100397 /nfs/dbraw/zinc/10/03/97/411100397.db2.gz NVYZAJIXUOQVLB-UHFFFAOYSA-N 0 3 235.375 3.058 20 0 BGADHN CC1(C)CCN(Cc2ncccn2)CC(C)(C)C1 ZINC000661627722 411821529 /nfs/dbraw/zinc/82/15/29/411821529.db2.gz PRMMNKPCUGVCRY-UHFFFAOYSA-N 0 3 247.386 3.125 20 0 BGADHN CC1(C)CCN(Cc2ncc[nH]2)CC(C)(C)C1 ZINC000661627747 411824619 /nfs/dbraw/zinc/82/46/19/411824619.db2.gz QEHOVRPDZMXWGM-UHFFFAOYSA-N 0 3 235.375 3.058 20 0 BGADHN CC1(C)CCN(Cc2ccno2)CC(C)(C)C1 ZINC000661629249 411824452 /nfs/dbraw/zinc/82/44/52/411824452.db2.gz XPRBBFMBDGRTLN-UHFFFAOYSA-N 0 3 236.359 3.323 20 0 BGADHN CCc1cccc(CN(C)CC2=CCCOC2)c1 ZINC000661652611 411131189 /nfs/dbraw/zinc/13/11/89/411131189.db2.gz AGPGZDGSBPPOQW-UHFFFAOYSA-N 0 3 245.366 3.028 20 0 BGADHN Cc1cccc([C@H](C)N(C)CC2=CCCOC2)c1 ZINC000661653724 411131836 /nfs/dbraw/zinc/13/18/36/411131836.db2.gz CCMKNYNLCUUJSN-AWEZNQCLSA-N 0 3 245.366 3.335 20 0 BGADHN Cc1cccc([C@@H](C)N(C)CC2=CCCOC2)c1 ZINC000661653727 411131899 /nfs/dbraw/zinc/13/18/99/411131899.db2.gz CCMKNYNLCUUJSN-CQSZACIVSA-N 0 3 245.366 3.335 20 0 BGADHN Cc1cccc(C)c1CN(C)CC1=CCCOC1 ZINC000661655717 487809546 /nfs/dbraw/zinc/80/95/46/487809546.db2.gz SPCXQTUEZZFQNZ-UHFFFAOYSA-N 0 3 245.366 3.082 20 0 BGADHN CCc1ccccc1CN(C)CC1=CCCOC1 ZINC000661656290 411831794 /nfs/dbraw/zinc/83/17/94/411831794.db2.gz XDWHXDSZUGVCGE-UHFFFAOYSA-N 0 3 245.366 3.028 20 0 BGADHN COc1ccc([C@@H]2CCCN2CC2CC2)cc1F ZINC000661659248 411832970 /nfs/dbraw/zinc/83/29/70/411832970.db2.gz VRZZPBHLGMLTNG-AWEZNQCLSA-N 0 3 249.329 3.381 20 0 BGADHN COc1ccc([C@H]2CCCN2CC2CC2)cc1F ZINC000661659249 411832927 /nfs/dbraw/zinc/83/29/27/411832927.db2.gz VRZZPBHLGMLTNG-CQSZACIVSA-N 0 3 249.329 3.381 20 0 BGADHN CCCN1CCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000661661463 411832936 /nfs/dbraw/zinc/83/29/36/411832936.db2.gz PIERVDRUOHTKQN-CYBMUJFWSA-N 0 3 237.318 3.381 20 0 BGADHN CCCN1CCC[C@H]1c1ccc(OC)c(F)c1 ZINC000661661464 411832907 /nfs/dbraw/zinc/83/29/07/411832907.db2.gz PIERVDRUOHTKQN-ZDUSSCGKSA-N 0 3 237.318 3.381 20 0 BGADHN CCn1cc(CN2CCCC(CC)(CC)C2)cn1 ZINC000661671350 411832800 /nfs/dbraw/zinc/83/28/00/411832800.db2.gz BSRIBJBXARXMNE-UHFFFAOYSA-N 0 3 249.402 3.305 20 0 BGADHN CCC1(CC)CCCN(Cc2cccnc2N)C1 ZINC000661671593 411833099 /nfs/dbraw/zinc/83/30/99/411833099.db2.gz FCOJBNMHGGVIOD-UHFFFAOYSA-N 0 3 247.386 3.066 20 0 BGADHN CCC1(CC)CCCN(Cc2conc2C)C1 ZINC000661671674 411832599 /nfs/dbraw/zinc/83/25/99/411832599.db2.gz FZZFYVAUAWZHFU-UHFFFAOYSA-N 0 3 236.359 3.385 20 0 BGADHN CCC1(CC)CCCN(Cc2cnc(C)nc2)C1 ZINC000661671706 411833314 /nfs/dbraw/zinc/83/33/14/411833314.db2.gz GQLQOWPYRGQHNM-UHFFFAOYSA-N 0 3 247.386 3.187 20 0 BGADHN CCC1(CC)CCCN(Cc2ccnc(C)n2)C1 ZINC000661672005 411835335 /nfs/dbraw/zinc/83/53/35/411835335.db2.gz JSWMUWHVCMTTII-UHFFFAOYSA-N 0 3 247.386 3.187 20 0 BGADHN CCC1(CC)CCCN(CCOCC(F)F)C1 ZINC000661672186 411141292 /nfs/dbraw/zinc/14/12/92/411141292.db2.gz MDQWMOVTEZDEOA-UHFFFAOYSA-N 0 3 249.345 3.170 20 0 BGADHN CCC1(CC)CCCN(Cc2cc(C)no2)C1 ZINC000661672705 411834259 /nfs/dbraw/zinc/83/42/59/411834259.db2.gz PFGHHMOMXXPMOJ-UHFFFAOYSA-N 0 3 236.359 3.385 20 0 BGADHN CCC1(CC)CCCN(Cc2cn(C)nc2C)C1 ZINC000661673163 411833786 /nfs/dbraw/zinc/83/37/86/411833786.db2.gz RJSJDLRMHQGJTI-UHFFFAOYSA-N 0 3 249.402 3.131 20 0 BGADHN CCC1(CC)CCCN(Cc2cc(C)ncn2)C1 ZINC000661673353 411833776 /nfs/dbraw/zinc/83/37/76/411833776.db2.gz UOZMNYANPQINDC-UHFFFAOYSA-N 0 3 247.386 3.187 20 0 BGADHN CCC1(CC)CCCN([C@H](C)c2cnccn2)C1 ZINC000661673552 411141265 /nfs/dbraw/zinc/14/12/65/411141265.db2.gz UYSHDWFIOKIWAX-CYBMUJFWSA-N 0 3 247.386 3.440 20 0 BGADHN CCC1(CC)CCCN([C@@H](C)c2cnccn2)C1 ZINC000661673555 411141204 /nfs/dbraw/zinc/14/12/04/411141204.db2.gz UYSHDWFIOKIWAX-ZDUSSCGKSA-N 0 3 247.386 3.440 20 0 BGADHN CCC1(CC)CCCN(Cc2ccccn2)C1 ZINC000661673869 411833972 /nfs/dbraw/zinc/83/39/72/411833972.db2.gz FTXBDJITWMJCFK-UHFFFAOYSA-N 0 3 232.371 3.484 20 0 BGADHN CCC1(CC)CCCN(Cc2ccncc2)C1 ZINC000661675683 411833894 /nfs/dbraw/zinc/83/38/94/411833894.db2.gz XKWHARQWPRPBBX-UHFFFAOYSA-N 0 3 232.371 3.484 20 0 BGADHN CCC1(CC)CCCN(Cc2cccnc2)C1 ZINC000661675873 411834446 /nfs/dbraw/zinc/83/44/46/411834446.db2.gz ZTGFPTNDWZGJBJ-UHFFFAOYSA-N 0 3 232.371 3.484 20 0 BGADHN CCC1(CC)CCCN(Cc2cnn(C)c2C)C1 ZINC000661677735 411832655 /nfs/dbraw/zinc/83/26/55/411832655.db2.gz PPPIEDPLYUSAMB-UHFFFAOYSA-N 0 3 249.402 3.131 20 0 BGADHN CCC1(CC)CCCN(Cc2ccno2)C1 ZINC000661679184 411834621 /nfs/dbraw/zinc/83/46/21/411834621.db2.gz XWYRENMBJFJPBN-UHFFFAOYSA-N 0 3 222.332 3.077 20 0 BGADHN FCC[C@H]1CCCN(Cc2ccsc2)C1 ZINC000661687374 411832520 /nfs/dbraw/zinc/83/25/20/411832520.db2.gz BNYVDSQEJMRRFC-LLVKDONJSA-N 0 3 227.348 3.320 20 0 BGADHN FCC[C@@H]1CCCN(Cc2ccsc2)C1 ZINC000661687375 411833370 /nfs/dbraw/zinc/83/33/70/411833370.db2.gz BNYVDSQEJMRRFC-NSHDSACASA-N 0 3 227.348 3.320 20 0 BGADHN FCC[C@H]1CCCN(CCC(F)(F)F)C1 ZINC000661687867 487865440 /nfs/dbraw/zinc/86/54/40/487865440.db2.gz DPIVMTDXYDAEMV-SECBINFHSA-N 0 3 227.245 3.010 20 0 BGADHN FCC[C@@H]1CCCN(CCC(F)(F)F)C1 ZINC000661687877 487865653 /nfs/dbraw/zinc/86/56/53/487865653.db2.gz DPIVMTDXYDAEMV-VIFPVBQESA-N 0 3 227.245 3.010 20 0 BGADHN C[C@H](c1ccccn1)N1CCC[C@H](CCF)C1 ZINC000661688182 411837977 /nfs/dbraw/zinc/83/79/77/411837977.db2.gz CESJZRNLKDXSEK-CHWSQXEVSA-N 0 3 236.334 3.214 20 0 BGADHN C[C@H](c1ccccn1)N1CCC[C@@H](CCF)C1 ZINC000661688187 411838027 /nfs/dbraw/zinc/83/80/27/411838027.db2.gz CESJZRNLKDXSEK-OLZOCXBDSA-N 0 3 236.334 3.214 20 0 BGADHN C[C@@H](c1ccccn1)N1CCC[C@H](CCF)C1 ZINC000661688190 411837094 /nfs/dbraw/zinc/83/70/94/411837094.db2.gz CESJZRNLKDXSEK-QWHCGFSZSA-N 0 3 236.334 3.214 20 0 BGADHN C[C@@H](c1ccccn1)N1CCC[C@@H](CCF)C1 ZINC000661688193 411838322 /nfs/dbraw/zinc/83/83/22/411838322.db2.gz CESJZRNLKDXSEK-STQMWFEESA-N 0 3 236.334 3.214 20 0 BGADHN Cc1ncsc1CN1CCC[C@H](CCF)C1 ZINC000661688397 487867495 /nfs/dbraw/zinc/86/74/95/487867495.db2.gz GSKBUIRIZNIUDJ-LLVKDONJSA-N 0 3 242.363 3.023 20 0 BGADHN Cc1ncsc1CN1CCC[C@@H](CCF)C1 ZINC000661688399 487868092 /nfs/dbraw/zinc/86/80/92/487868092.db2.gz GSKBUIRIZNIUDJ-NSHDSACASA-N 0 3 242.363 3.023 20 0 BGADHN Cc1ncc(CN2CCC[C@H](CCF)C2)s1 ZINC000661690428 411838985 /nfs/dbraw/zinc/83/89/85/411838985.db2.gz NAXDUJVXBOSOBR-LLVKDONJSA-N 0 3 242.363 3.023 20 0 BGADHN Cc1ncc(CN2CCC[C@@H](CCF)C2)s1 ZINC000661690430 411838863 /nfs/dbraw/zinc/83/88/63/411838863.db2.gz NAXDUJVXBOSOBR-NSHDSACASA-N 0 3 242.363 3.023 20 0 BGADHN FCC[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000661691331 411841645 /nfs/dbraw/zinc/84/16/45/411841645.db2.gz UKRLSRZYRJSTSU-GFCCVEGCSA-N 0 3 239.309 3.397 20 0 BGADHN FCC[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000661691332 411841486 /nfs/dbraw/zinc/84/14/86/411841486.db2.gz UKRLSRZYRJSTSU-LBPRGKRZSA-N 0 3 239.309 3.397 20 0 BGADHN FCC[C@H]1CCCN(Cc2ccccc2F)C1 ZINC000661692606 411841602 /nfs/dbraw/zinc/84/16/02/411841602.db2.gz HLQKVECMQFIBKP-GFCCVEGCSA-N 0 3 239.309 3.397 20 0 BGADHN FCC[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC000661692607 411842135 /nfs/dbraw/zinc/84/21/35/411842135.db2.gz HLQKVECMQFIBKP-LBPRGKRZSA-N 0 3 239.309 3.397 20 0 BGADHN C[C@H](c1ccncc1)N1CCC[C@H](CCF)C1 ZINC000661693028 411843853 /nfs/dbraw/zinc/84/38/53/411843853.db2.gz KFXVNJZIWABWDX-CHWSQXEVSA-N 0 3 236.334 3.214 20 0 BGADHN C[C@H](c1ccncc1)N1CCC[C@@H](CCF)C1 ZINC000661693029 411844044 /nfs/dbraw/zinc/84/40/44/411844044.db2.gz KFXVNJZIWABWDX-OLZOCXBDSA-N 0 3 236.334 3.214 20 0 BGADHN C[C@@H](c1ccncc1)N1CCC[C@H](CCF)C1 ZINC000661693030 411844199 /nfs/dbraw/zinc/84/41/99/411844199.db2.gz KFXVNJZIWABWDX-QWHCGFSZSA-N 0 3 236.334 3.214 20 0 BGADHN C[C@@H](c1ccncc1)N1CCC[C@@H](CCF)C1 ZINC000661693031 411842927 /nfs/dbraw/zinc/84/29/27/411842927.db2.gz KFXVNJZIWABWDX-STQMWFEESA-N 0 3 236.334 3.214 20 0 BGADHN C[C@H](c1cccnc1)N1CCC[C@H](CCF)C1 ZINC000661693442 411162175 /nfs/dbraw/zinc/16/21/75/411162175.db2.gz ONAZYFPUAVRWQI-CHWSQXEVSA-N 0 3 236.334 3.214 20 0 BGADHN C[C@H](c1cccnc1)N1CCC[C@@H](CCF)C1 ZINC000661693444 411161561 /nfs/dbraw/zinc/16/15/61/411161561.db2.gz ONAZYFPUAVRWQI-OLZOCXBDSA-N 0 3 236.334 3.214 20 0 BGADHN C[C@@H](c1cccnc1)N1CCC[C@H](CCF)C1 ZINC000661693446 411162084 /nfs/dbraw/zinc/16/20/84/411162084.db2.gz ONAZYFPUAVRWQI-QWHCGFSZSA-N 0 3 236.334 3.214 20 0 BGADHN C[C@@H](c1cccnc1)N1CCC[C@@H](CCF)C1 ZINC000661693447 411161732 /nfs/dbraw/zinc/16/17/32/411161732.db2.gz ONAZYFPUAVRWQI-STQMWFEESA-N 0 3 236.334 3.214 20 0 BGADHN FCC[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000661694118 411843163 /nfs/dbraw/zinc/84/31/63/411843163.db2.gz DYSWHOXIUFUACN-GFCCVEGCSA-N 0 3 239.309 3.397 20 0 BGADHN FCC[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000661694119 411843607 /nfs/dbraw/zinc/84/36/07/411843607.db2.gz DYSWHOXIUFUACN-LBPRGKRZSA-N 0 3 239.309 3.397 20 0 BGADHN COc1ccc2c(c1)CCN(CCC(C)C)C2 ZINC000661737539 411861210 /nfs/dbraw/zinc/86/12/10/411861210.db2.gz IJZSZKBYZFVSDU-UHFFFAOYSA-N 0 3 233.355 3.099 20 0 BGADHN COc1ccc2c(c1)CCN(CC=C(C)C)C2 ZINC000661737940 411860992 /nfs/dbraw/zinc/86/09/92/411860992.db2.gz MGRJYFVAYHXIBI-UHFFFAOYSA-N 0 3 231.339 3.020 20 0 BGADHN COc1ccc2c(c1)CCN([C@H]1C=CCCC1)C2 ZINC000661740192 411861956 /nfs/dbraw/zinc/86/19/56/411861956.db2.gz LBFPAJLENKMSEK-HNNXBMFYSA-N 0 3 243.350 3.162 20 0 BGADHN COc1ccc2c(c1)CCN([C@@H]1C=CCCC1)C2 ZINC000661740193 411862554 /nfs/dbraw/zinc/86/25/54/411862554.db2.gz LBFPAJLENKMSEK-OAHLLOKOSA-N 0 3 243.350 3.162 20 0 BGADHN COc1ccc2c(c1)CCN(CC1=CCCC1)C2 ZINC000661742465 411862117 /nfs/dbraw/zinc/86/21/17/411862117.db2.gz SCIOALVLXOPLJV-UHFFFAOYSA-N 0 3 243.350 3.164 20 0 BGADHN COc1ccc2c(c1)CCN(CCC=C(C)C)C2 ZINC000661742466 411862869 /nfs/dbraw/zinc/86/28/69/411862869.db2.gz SDQKNXGQRAGDKH-UHFFFAOYSA-N 0 3 245.366 3.410 20 0 BGADHN CC[C@@H](NCc1cc(-c2ccco2)on1)C1CC1 ZINC000661756849 411868268 /nfs/dbraw/zinc/86/82/68/411868268.db2.gz BOYNYWHSVYYXGV-GFCCVEGCSA-N 0 3 246.310 3.213 20 0 BGADHN CC[C@H](NCc1cc(-c2ccco2)on1)C1CC1 ZINC000661756850 411869663 /nfs/dbraw/zinc/86/96/63/411869663.db2.gz BOYNYWHSVYYXGV-LBPRGKRZSA-N 0 3 246.310 3.213 20 0 BGADHN CC[C@@H](NCc1nc2cc(F)ccc2o1)C1CC1 ZINC000661757862 411869307 /nfs/dbraw/zinc/86/93/07/411869307.db2.gz HRBAQECXMKMJFO-LLVKDONJSA-N 0 3 248.301 3.245 20 0 BGADHN CC[C@H](NCc1nc2cc(F)ccc2o1)C1CC1 ZINC000661757863 411869471 /nfs/dbraw/zinc/86/94/71/411869471.db2.gz HRBAQECXMKMJFO-NSHDSACASA-N 0 3 248.301 3.245 20 0 BGADHN CC[C@@H](NCc1nc2ccccc2o1)C1CC1 ZINC000661758793 411869673 /nfs/dbraw/zinc/86/96/73/411869673.db2.gz VMKMJTFRKDDUAM-LLVKDONJSA-N 0 3 230.311 3.106 20 0 BGADHN CC[C@H](NCc1nc2ccccc2o1)C1CC1 ZINC000661758794 411868923 /nfs/dbraw/zinc/86/89/23/411868923.db2.gz VMKMJTFRKDDUAM-NSHDSACASA-N 0 3 230.311 3.106 20 0 BGADHN CCCc1nc(CN[C@H](CC)C2CC2)cs1 ZINC000661759143 411870748 /nfs/dbraw/zinc/87/07/48/411870748.db2.gz ZREQFUUIOQNWFE-GFCCVEGCSA-N 0 3 238.400 3.374 20 0 BGADHN CCCc1nc(CN[C@@H](CC)C2CC2)cs1 ZINC000661759144 411870865 /nfs/dbraw/zinc/87/08/65/411870865.db2.gz ZREQFUUIOQNWFE-LBPRGKRZSA-N 0 3 238.400 3.374 20 0 BGADHN CC[C@H](NCc1cc(OC(C)C)ccn1)C1CC1 ZINC000661761156 411871981 /nfs/dbraw/zinc/87/19/81/411871981.db2.gz DBCRPIYORWDNBF-HNNXBMFYSA-N 0 3 248.370 3.147 20 0 BGADHN CC[C@@H](NCc1cc(OC(C)C)ccn1)C1CC1 ZINC000661761158 411871090 /nfs/dbraw/zinc/87/10/90/411871090.db2.gz DBCRPIYORWDNBF-OAHLLOKOSA-N 0 3 248.370 3.147 20 0 BGADHN CC[C@@H](NCc1cc(C(C)(C)C)on1)C1CC1 ZINC000661762963 411874018 /nfs/dbraw/zinc/87/40/18/411874018.db2.gz YKWARLCBZGNYID-GFCCVEGCSA-N 0 3 236.359 3.250 20 0 BGADHN CC[C@H](NCc1cc(C(C)(C)C)on1)C1CC1 ZINC000661762964 411873227 /nfs/dbraw/zinc/87/32/27/411873227.db2.gz YKWARLCBZGNYID-LBPRGKRZSA-N 0 3 236.359 3.250 20 0 BGADHN FCCCN(Cc1ccccc1F)CC1CC1 ZINC000661794054 411311816 /nfs/dbraw/zinc/31/18/16/411311816.db2.gz ORASBUHEWWBGNW-UHFFFAOYSA-N 0 3 239.309 3.397 20 0 BGADHN Cc1cc(CN2CC[C@@H](C)O[C@@H](C)C2)cs1 ZINC000661851374 411903039 /nfs/dbraw/zinc/90/30/39/411903039.db2.gz UCXYUOJKUNJINI-MNOVXSKESA-N 0 3 239.384 3.056 20 0 BGADHN Cc1ccc(CN2CC[C@@H](C)O[C@@H](C)C2)cc1C ZINC000661852728 411903054 /nfs/dbraw/zinc/90/30/54/411903054.db2.gz FONCIODPWMBPBU-CABCVRRESA-N 0 3 247.382 3.303 20 0 BGADHN CCc1cccc(CN2CC[C@@H](C)O[C@@H](C)C2)c1 ZINC000661853518 411903498 /nfs/dbraw/zinc/90/34/98/411903498.db2.gz UCEAISTVNZVJDR-KGLIPLIRSA-N 0 3 247.382 3.248 20 0 BGADHN C[C@@H]1CCN(C/C=C\c2ccccc2)C[C@H](C)O1 ZINC000661855350 411905852 /nfs/dbraw/zinc/90/58/52/411905852.db2.gz FDIYEGVAFFWSNE-IIQYJXCPSA-N 0 3 245.366 3.199 20 0 BGADHN C[C@@H]1CCN(C/C=C/c2ccccc2)C[C@H](C)O1 ZINC000661855351 411904963 /nfs/dbraw/zinc/90/49/63/411904963.db2.gz FDIYEGVAFFWSNE-SIEMXDPISA-N 0 3 245.366 3.199 20 0 BGADHN CCc1ccc(CN2CC[C@@H](C)O[C@@H](C)C2)cc1 ZINC000661858864 411905801 /nfs/dbraw/zinc/90/58/01/411905801.db2.gz MEJJREQPBJMPBG-KGLIPLIRSA-N 0 3 247.382 3.248 20 0 BGADHN CC[C@@H]1CC[C@@H](C)N(Cc2cncc(F)c2)C1 ZINC000661859705 411906412 /nfs/dbraw/zinc/90/64/12/411906412.db2.gz DDHJLVJHLKNDMN-VXGBXAGGSA-N 0 3 236.334 3.231 20 0 BGADHN CC[C@@H]1CC[C@@H](C)N(Cc2c(C)noc2C)C1 ZINC000661859741 411907775 /nfs/dbraw/zinc/90/77/75/411907775.db2.gz FDNMODQNJZLXPJ-ZWNOBZJWSA-N 0 3 236.359 3.302 20 0 BGADHN CC[C@@H]1CC[C@@H](C)N(Cc2cncs2)C1 ZINC000661859768 411907314 /nfs/dbraw/zinc/90/73/14/411907314.db2.gz FXYZHXVFFXSASW-GHMZBOCLSA-N 0 3 224.373 3.154 20 0 BGADHN CC[C@@H]1CC[C@@H](C)N(Cc2ccncc2F)C1 ZINC000661859853 411907214 /nfs/dbraw/zinc/90/72/14/411907214.db2.gz IWMWEEVRYPMFCR-VXGBXAGGSA-N 0 3 236.334 3.231 20 0 BGADHN CC[C@@H]1CC[C@@H](C)N(Cc2nc(C)oc2C)C1 ZINC000661859880 411907041 /nfs/dbraw/zinc/90/70/41/411907041.db2.gz JOAWSRPBEHXKJQ-ZWNOBZJWSA-N 0 3 236.359 3.302 20 0 BGADHN CC[C@@H]1CC[C@@H](C)N(Cc2cnccc2OC)C1 ZINC000661859899 488064383 /nfs/dbraw/zinc/06/43/83/488064383.db2.gz KLNNUFRDHIZPJF-CHWSQXEVSA-N 0 3 248.370 3.101 20 0 BGADHN CC[C@@H]1CC[C@@H](C)N(Cc2cncc(OC)c2)C1 ZINC000661860135 411908009 /nfs/dbraw/zinc/90/80/09/411908009.db2.gz TVRYQBXEUUJLLL-CHWSQXEVSA-N 0 3 248.370 3.101 20 0 BGADHN CCc1nocc1CN1C[C@H](CC)CC[C@H]1C ZINC000661860182 411907709 /nfs/dbraw/zinc/90/77/09/411907709.db2.gz VDBMKNQPKXAAMM-VXGBXAGGSA-N 0 3 236.359 3.248 20 0 BGADHN CC[C@@H]1CC[C@@H](C)N(Cc2nc(C)cs2)C1 ZINC000661860205 411906728 /nfs/dbraw/zinc/90/67/28/411906728.db2.gz VWBBXXHDLLWGFN-VXGBXAGGSA-N 0 3 238.400 3.462 20 0 BGADHN CC[C@@H]1CC[C@@H](C)N(Cc2cc(C)nc(C)n2)C1 ZINC000661860327 411906792 /nfs/dbraw/zinc/90/67/92/411906792.db2.gz ZVLIXDOELSDIGJ-TZMCWYRMSA-N 0 3 247.386 3.104 20 0 BGADHN CC[C@@H]1CC[C@@H](C)N(Cc2ccc(OC)cn2)C1 ZINC000661860698 411908036 /nfs/dbraw/zinc/90/80/36/411908036.db2.gz GSDQBGKTUNKSCB-CHWSQXEVSA-N 0 3 248.370 3.101 20 0 BGADHN CC[C@@H]1CC[C@@H](C)N(Cc2nc(C)c(C)o2)C1 ZINC000661860968 411906304 /nfs/dbraw/zinc/90/63/04/411906304.db2.gz LOOSEGITOBIHGE-ZWNOBZJWSA-N 0 3 236.359 3.302 20 0 BGADHN CC[C@@H]1CC[C@@H](C)N(Cc2cnc(C)s2)C1 ZINC000661861077 411907134 /nfs/dbraw/zinc/90/71/34/411907134.db2.gz MHKNLTASOMWSTP-ZYHUDNBSSA-N 0 3 238.400 3.462 20 0 BGADHN CC[C@@H]1CC[C@@H](C)N(Cc2cc(OC)ccn2)C1 ZINC000661861577 411906966 /nfs/dbraw/zinc/90/69/66/411906966.db2.gz UFZUFBVJHOAHHO-CHWSQXEVSA-N 0 3 248.370 3.101 20 0 BGADHN O=C1CCCC12CCN(Cc1ccccc1)CC2 ZINC000661952818 411919008 /nfs/dbraw/zinc/91/90/08/411919008.db2.gz IKNDIQXKZNQEKE-UHFFFAOYSA-N 0 3 243.350 3.022 20 0 BGADHN CSc1cccc(CN2CC[C@@H]3C[C@@H]3C2)c1 ZINC000661965866 411332619 /nfs/dbraw/zinc/33/26/19/411332619.db2.gz BISDATBCROBSJC-CHWSQXEVSA-N 0 3 233.380 3.250 20 0 BGADHN CSc1cccc(CN2CC[C@H]3C[C@H]3C2)c1 ZINC000661965869 411332229 /nfs/dbraw/zinc/33/22/29/411332229.db2.gz BISDATBCROBSJC-STQMWFEESA-N 0 3 233.380 3.250 20 0 BGADHN FC(F)c1cccc(CN2CC[C@H]3C[C@H]3C2)c1 ZINC000661966286 411334089 /nfs/dbraw/zinc/33/40/89/411334089.db2.gz GEEDJZVTCBKDPP-AAEUAGOBSA-N 0 3 237.293 3.466 20 0 BGADHN FC(F)c1cccc(CN2CC[C@@H]3C[C@@H]3C2)c1 ZINC000661966287 411333390 /nfs/dbraw/zinc/33/33/90/411333390.db2.gz GEEDJZVTCBKDPP-DGCLKSJQSA-N 0 3 237.293 3.466 20 0 BGADHN Clc1ccc(CN2CC[C@H]3C[C@H]3C2)cc1 ZINC000661966428 411333714 /nfs/dbraw/zinc/33/37/14/411333714.db2.gz HXTZKEHDPRARCV-RYUDHWBXSA-N 0 3 221.731 3.182 20 0 BGADHN Clc1ccc(CN2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000661966429 411333593 /nfs/dbraw/zinc/33/35/93/411333593.db2.gz HXTZKEHDPRARCV-VXGBXAGGSA-N 0 3 221.731 3.182 20 0 BGADHN Clc1ccccc1CN1CC[C@H]2C[C@H]2C1 ZINC000661966648 411922131 /nfs/dbraw/zinc/92/21/31/411922131.db2.gz LAFAZUPSGBPZFG-JQWIXIFHSA-N 0 3 221.731 3.182 20 0 BGADHN Clc1ccccc1CN1CC[C@@H]2C[C@@H]2C1 ZINC000661966650 411921872 /nfs/dbraw/zinc/92/18/72/411921872.db2.gz LAFAZUPSGBPZFG-ZYHUDNBSSA-N 0 3 221.731 3.182 20 0 BGADHN c1ccc(OC2CC2)c(CN2CC[C@H]3C[C@H]3C2)c1 ZINC000661966990 411333557 /nfs/dbraw/zinc/33/35/57/411333557.db2.gz MWVZVOAGEJEGJC-JSGCOSHPSA-N 0 3 243.350 3.070 20 0 BGADHN c1ccc(OC2CC2)c(CN2CC[C@@H]3C[C@@H]3C2)c1 ZINC000661966992 411333686 /nfs/dbraw/zinc/33/36/86/411333686.db2.gz MWVZVOAGEJEGJC-TZMCWYRMSA-N 0 3 243.350 3.070 20 0 BGADHN C[C@H](c1nc2ccccc2o1)N1CC[C@@H]2C[C@@H]2C1 ZINC000661967413 411925383 /nfs/dbraw/zinc/92/53/83/411925383.db2.gz DJBKUMVPAAKBMM-IJLUTSLNSA-N 0 3 242.322 3.231 20 0 BGADHN C[C@H](c1nc2ccccc2o1)N1CC[C@H]2C[C@H]2C1 ZINC000661967416 411925373 /nfs/dbraw/zinc/92/53/73/411925373.db2.gz DJBKUMVPAAKBMM-WOPDTQHZSA-N 0 3 242.322 3.231 20 0 BGADHN Cc1nc(C(C)C)ccc1CN1CC[C@@H]2C[C@@H]2C1 ZINC000661967507 411335473 /nfs/dbraw/zinc/33/54/73/411335473.db2.gz PJLBYLGBTMDTBP-UKRRQHHQSA-N 0 3 244.382 3.355 20 0 BGADHN Cc1nc(C(C)C)ccc1CN1CC[C@H]2C[C@H]2C1 ZINC000661967509 411335330 /nfs/dbraw/zinc/33/53/30/411335330.db2.gz PJLBYLGBTMDTBP-ZFWWWQNUSA-N 0 3 244.382 3.355 20 0 BGADHN Clc1cccc(CN2CC[C@H]3C[C@H]3C2)c1 ZINC000661967635 411335872 /nfs/dbraw/zinc/33/58/72/411335872.db2.gz QOZWGRRSNRJFQA-RYUDHWBXSA-N 0 3 221.731 3.182 20 0 BGADHN Clc1cccc(CN2CC[C@@H]3C[C@@H]3C2)c1 ZINC000661967636 411336084 /nfs/dbraw/zinc/33/60/84/411336084.db2.gz QOZWGRRSNRJFQA-VXGBXAGGSA-N 0 3 221.731 3.182 20 0 BGADHN CCCOc1cccc(CN2CC[C@H]3C[C@H]3C2)c1 ZINC000661968286 411336673 /nfs/dbraw/zinc/33/66/73/411336673.db2.gz WXFWBYXVEWBNHC-GJZGRUSLSA-N 0 3 245.366 3.317 20 0 BGADHN CCCOc1cccc(CN2CC[C@@H]3C[C@@H]3C2)c1 ZINC000661968287 411336483 /nfs/dbraw/zinc/33/64/83/411336483.db2.gz WXFWBYXVEWBNHC-HUUCEWRRSA-N 0 3 245.366 3.317 20 0 BGADHN c1ccc2ncc(CN3CC[C@@H]4C[C@@H]4C3)cc2c1 ZINC000661968596 411338385 /nfs/dbraw/zinc/33/83/85/411338385.db2.gz ZGGWKWADJVRWLH-UKRRQHHQSA-N 0 3 238.334 3.077 20 0 BGADHN c1ccc2ncc(CN3CC[C@H]4C[C@H]4C3)cc2c1 ZINC000661968597 411336765 /nfs/dbraw/zinc/33/67/65/411336765.db2.gz ZGGWKWADJVRWLH-ZFWWWQNUSA-N 0 3 238.334 3.077 20 0 BGADHN CCCOc1ccc(CN2CC[C@H]3C[C@H]3C2)cc1 ZINC000661968839 411337784 /nfs/dbraw/zinc/33/77/84/411337784.db2.gz HYGFTBZUQLGUEP-GJZGRUSLSA-N 0 3 245.366 3.317 20 0 BGADHN CCCOc1ccc(CN2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000661968840 411337611 /nfs/dbraw/zinc/33/76/11/411337611.db2.gz HYGFTBZUQLGUEP-HUUCEWRRSA-N 0 3 245.366 3.317 20 0 BGADHN C[C@H](c1ccc(F)c(F)c1)N1CC[C@H]2C[C@H]2C1 ZINC000661968875 411926028 /nfs/dbraw/zinc/92/60/28/411926028.db2.gz ABGKCWKGSPRSIT-USWWRNFRSA-N 0 3 237.293 3.368 20 0 BGADHN C[C@H](c1ccc(F)c(F)c1)N1CC[C@@H]2C[C@@H]2C1 ZINC000661968876 411925471 /nfs/dbraw/zinc/92/54/71/411925471.db2.gz ABGKCWKGSPRSIT-YUSALJHKSA-N 0 3 237.293 3.368 20 0 BGADHN c1c2ccccc2oc1CN1CC[C@H]2C[C@H]2C1 ZINC000661969981 411338897 /nfs/dbraw/zinc/33/88/97/411338897.db2.gz CGBWMOYFJYNKIT-AAEUAGOBSA-N 0 3 227.307 3.275 20 0 BGADHN c1c2ccccc2oc1CN1CC[C@@H]2C[C@@H]2C1 ZINC000661969986 411338886 /nfs/dbraw/zinc/33/88/86/411338886.db2.gz CGBWMOYFJYNKIT-DGCLKSJQSA-N 0 3 227.307 3.275 20 0 BGADHN CSc1ccccc1CN1CC[C@H]2C[C@H]2C1 ZINC000661970439 411927260 /nfs/dbraw/zinc/92/72/60/411927260.db2.gz LTOHFAWHXXSISO-AAEUAGOBSA-N 0 3 233.380 3.250 20 0 BGADHN CSc1ccccc1CN1CC[C@@H]2C[C@@H]2C1 ZINC000661970440 411927916 /nfs/dbraw/zinc/92/79/16/411927916.db2.gz LTOHFAWHXXSISO-DGCLKSJQSA-N 0 3 233.380 3.250 20 0 BGADHN CCC(CC)n1ccc(CN2CC[C@@H]3C[C@@H]3C2)n1 ZINC000661970827 411340088 /nfs/dbraw/zinc/34/00/88/411340088.db2.gz MTGUJNNAJZNJNB-CHWSQXEVSA-N 0 3 247.386 3.086 20 0 BGADHN CCC(CC)n1ccc(CN2CC[C@H]3C[C@H]3C2)n1 ZINC000661970830 411339860 /nfs/dbraw/zinc/33/98/60/411339860.db2.gz MTGUJNNAJZNJNB-STQMWFEESA-N 0 3 247.386 3.086 20 0 BGADHN CSc1ccc(CN2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000661971258 411339634 /nfs/dbraw/zinc/33/96/34/411339634.db2.gz BGZHFYCEVBUPGN-CHWSQXEVSA-N 0 3 233.380 3.250 20 0 BGADHN CSc1ccc(CN2CC[C@H]3C[C@H]3C2)cc1 ZINC000661971262 411339475 /nfs/dbraw/zinc/33/94/75/411339475.db2.gz BGZHFYCEVBUPGN-STQMWFEESA-N 0 3 233.380 3.250 20 0 BGADHN Fc1ccc2c(c1)[C@H](N1CC[C@@H]3C[C@@H]3C1)CC2 ZINC000661971486 411927805 /nfs/dbraw/zinc/92/78/05/411927805.db2.gz HFSFHIYKENALFK-LALPHHSUSA-N 0 3 231.314 3.155 20 0 BGADHN Fc1ccc2c(c1)[C@H](N1CC[C@H]3C[C@H]3C1)CC2 ZINC000661971489 411927644 /nfs/dbraw/zinc/92/76/44/411927644.db2.gz HFSFHIYKENALFK-SLEUVZQESA-N 0 3 231.314 3.155 20 0 BGADHN CC(C)Oc1ccccc1CN1CC[C@@H]2C[C@@H]2C1 ZINC000661971566 411927147 /nfs/dbraw/zinc/92/71/47/411927147.db2.gz JKGSQORMWAYKKS-UKRRQHHQSA-N 0 3 245.366 3.316 20 0 BGADHN CC(C)Oc1ccccc1CN1CC[C@H]2C[C@H]2C1 ZINC000661971567 411927245 /nfs/dbraw/zinc/92/72/45/411927245.db2.gz JKGSQORMWAYKKS-ZFWWWQNUSA-N 0 3 245.366 3.316 20 0 BGADHN CC(C)Oc1cccc(CN2CC[C@H]3C[C@H]3C2)c1 ZINC000661972121 490243257 /nfs/dbraw/zinc/24/32/57/490243257.db2.gz KPEXQBFCUBXHIR-GJZGRUSLSA-N 0 3 245.366 3.316 20 0 BGADHN CC(C)Oc1cccc(CN2CC[C@@H]3C[C@@H]3C2)c1 ZINC000661972125 490243448 /nfs/dbraw/zinc/24/34/48/490243448.db2.gz KPEXQBFCUBXHIR-HUUCEWRRSA-N 0 3 245.366 3.316 20 0 BGADHN CC(C)Oc1ccc(CN2CC[C@H]3C[C@H]3C2)cc1 ZINC000661972560 411929491 /nfs/dbraw/zinc/92/94/91/411929491.db2.gz LEETVALJXZPEFT-GJZGRUSLSA-N 0 3 245.366 3.316 20 0 BGADHN CC(C)Oc1ccc(CN2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000661972561 411928535 /nfs/dbraw/zinc/92/85/35/411928535.db2.gz LEETVALJXZPEFT-HUUCEWRRSA-N 0 3 245.366 3.316 20 0 BGADHN C[C@H](c1ccc(F)cc1)N1CC[C@@H]2C[C@@H]2C1 ZINC000661972568 411929097 /nfs/dbraw/zinc/92/90/97/411929097.db2.gz LGDARWKYOJRROG-RAIGVLPGSA-N 0 3 219.303 3.229 20 0 BGADHN C[C@H](c1ccc(F)cc1)N1CC[C@H]2C[C@H]2C1 ZINC000661972570 411928571 /nfs/dbraw/zinc/92/85/71/411928571.db2.gz LGDARWKYOJRROG-WXHSDQCUSA-N 0 3 219.303 3.229 20 0 BGADHN Clc1ccccc1CCN1CC[C@@H]2C[C@@H]2C1 ZINC000661972579 411929318 /nfs/dbraw/zinc/92/93/18/411929318.db2.gz LIOLWCZWFXQOAU-CHWSQXEVSA-N 0 3 235.758 3.224 20 0 BGADHN Clc1ccccc1CCN1CC[C@H]2C[C@H]2C1 ZINC000661972582 490243293 /nfs/dbraw/zinc/24/32/93/490243293.db2.gz LIOLWCZWFXQOAU-STQMWFEESA-N 0 3 235.758 3.224 20 0 BGADHN C[C@H](c1ccccc1F)N1CC[C@@H]2C[C@@H]2C1 ZINC000661973540 411928696 /nfs/dbraw/zinc/92/86/96/411928696.db2.gz NJDJOPALPHUQKM-IJLUTSLNSA-N 0 3 219.303 3.229 20 0 BGADHN C[C@H](c1ccccc1F)N1CC[C@H]2C[C@H]2C1 ZINC000661973542 411928659 /nfs/dbraw/zinc/92/86/59/411928659.db2.gz NJDJOPALPHUQKM-WOPDTQHZSA-N 0 3 219.303 3.229 20 0 BGADHN C[C@H](c1cccc(F)c1)N1CC[C@@H]2C[C@@H]2C1 ZINC000661975352 411341219 /nfs/dbraw/zinc/34/12/19/411341219.db2.gz RFSHEJQKTIKOGH-RAIGVLPGSA-N 0 3 219.303 3.229 20 0 BGADHN C[C@H](c1cccc(F)c1)N1CC[C@H]2C[C@H]2C1 ZINC000661975354 411341663 /nfs/dbraw/zinc/34/16/63/411341663.db2.gz RFSHEJQKTIKOGH-WXHSDQCUSA-N 0 3 219.303 3.229 20 0 BGADHN c1ccc2nc(CN3CC[C@H]4C[C@H]4C3)ccc2c1 ZINC000661975571 411930562 /nfs/dbraw/zinc/93/05/62/411930562.db2.gz QEISQYHERMHLND-KBPBESRZSA-N 0 3 238.334 3.077 20 0 BGADHN c1ccc2nc(CN3CC[C@@H]4C[C@@H]4C3)ccc2c1 ZINC000661975576 411930762 /nfs/dbraw/zinc/93/07/62/411930762.db2.gz QEISQYHERMHLND-ZIAGYGMSSA-N 0 3 238.334 3.077 20 0 BGADHN C[C@@H]1COC2(CCCC2)CN1CC1=CCCC1 ZINC000661978096 411934144 /nfs/dbraw/zinc/93/41/44/411934144.db2.gz GHRPJSUIEZOXRS-CYBMUJFWSA-N 0 3 235.371 3.130 20 0 BGADHN C[C@H]1COC2(CCCC2)CN1CC1=CCCC1 ZINC000661978097 411933955 /nfs/dbraw/zinc/93/39/55/411933955.db2.gz GHRPJSUIEZOXRS-ZDUSSCGKSA-N 0 3 235.371 3.130 20 0 BGADHN C[C@@H]1COC2(CCCC2)CN1CCCCCF ZINC000661978589 411934025 /nfs/dbraw/zinc/93/40/25/411934025.db2.gz MUQCDTKNCYZOFN-CYBMUJFWSA-N 0 3 243.366 3.160 20 0 BGADHN C[C@H]1COC2(CCCC2)CN1CCCCCF ZINC000661978590 411934538 /nfs/dbraw/zinc/93/45/38/411934538.db2.gz MUQCDTKNCYZOFN-ZDUSSCGKSA-N 0 3 243.366 3.160 20 0 BGADHN C(=C\c1ccccc1)\CN1CC[C@@H]2C[C@@H]2C1 ZINC000661980504 411933460 /nfs/dbraw/zinc/93/34/60/411933460.db2.gz ZNCDYWHWAVNBGO-DGPIVGRDSA-N 0 3 213.324 3.042 20 0 BGADHN C(=C/c1ccccc1)\CN1CC[C@@H]2C[C@@H]2C1 ZINC000661980505 411933406 /nfs/dbraw/zinc/93/34/06/411933406.db2.gz ZNCDYWHWAVNBGO-HYBGQWMJSA-N 0 3 213.324 3.042 20 0 BGADHN C[C@H]1COC2(CCCC2)CN1[C@H]1C=CCCC1 ZINC000661984392 411936415 /nfs/dbraw/zinc/93/64/15/411936415.db2.gz LXWGASLOKRLHNJ-KBPBESRZSA-N 0 3 235.371 3.129 20 0 BGADHN C[C@@H]1COC2(CCCC2)CN1[C@H]1C=CCCC1 ZINC000661984393 411936515 /nfs/dbraw/zinc/93/65/15/411936515.db2.gz LXWGASLOKRLHNJ-KGLIPLIRSA-N 0 3 235.371 3.129 20 0 BGADHN C[C@H]1COC2(CCCC2)CN1[C@@H]1C=CCCC1 ZINC000661984394 411935772 /nfs/dbraw/zinc/93/57/72/411935772.db2.gz LXWGASLOKRLHNJ-UONOGXRCSA-N 0 3 235.371 3.129 20 0 BGADHN C[C@@H]1COC2(CCCC2)CN1[C@@H]1C=CCCC1 ZINC000661984395 411343811 /nfs/dbraw/zinc/34/38/11/411343811.db2.gz LXWGASLOKRLHNJ-ZIAGYGMSSA-N 0 3 235.371 3.129 20 0 BGADHN C[C@H]1COC2(CCCC2)CN1Cc1ccccc1 ZINC000661987038 411936219 /nfs/dbraw/zinc/93/62/19/411936219.db2.gz NCSGHASTZNCQNX-AWEZNQCLSA-N 0 3 245.366 3.220 20 0 BGADHN C[C@@H]1COC2(CCCC2)CN1Cc1ccccc1 ZINC000661987039 411935507 /nfs/dbraw/zinc/93/55/07/411935507.db2.gz NCSGHASTZNCQNX-CQSZACIVSA-N 0 3 245.366 3.220 20 0 BGADHN CC(C)=CCCN1CCOC(C2CC2)(C2CC2)C1 ZINC000661993790 411937763 /nfs/dbraw/zinc/93/77/63/411937763.db2.gz HHPIRYNLJDDVQB-UHFFFAOYSA-N 0 3 249.398 3.234 20 0 BGADHN CCC(CC)CCCN(C)Cc1cnc(C)nc1 ZINC000662035547 411953493 /nfs/dbraw/zinc/95/34/93/411953493.db2.gz FDLCWIOBJXHHBD-UHFFFAOYSA-N 0 3 249.402 3.433 20 0 BGADHN CCC(CC)CCCN(C)Cc1ccnc(C)n1 ZINC000662036006 411953007 /nfs/dbraw/zinc/95/30/07/411953007.db2.gz GKJWXZJNJGBYMD-UHFFFAOYSA-N 0 3 249.402 3.433 20 0 BGADHN CCC(CC)CCCN(C)Cc1cn[nH]c1 ZINC000662036410 411951843 /nfs/dbraw/zinc/95/18/43/411951843.db2.gz HNJMYMKMTIMXQP-UHFFFAOYSA-N 0 3 223.364 3.058 20 0 BGADHN CCC(CC)CCCN(C)Cc1cncn1C ZINC000662036579 411953088 /nfs/dbraw/zinc/95/30/88/411953088.db2.gz DOLLFZCIYYWRLE-UHFFFAOYSA-N 0 3 237.391 3.068 20 0 BGADHN CCC(CC)CCCN(C)Cc1cnc[nH]1 ZINC000662037124 411953133 /nfs/dbraw/zinc/95/31/33/411953133.db2.gz KVYZOWPONMXDLA-UHFFFAOYSA-N 0 3 223.364 3.058 20 0 BGADHN CCC(CC)CCCN(C)Cc1cccnc1N ZINC000662037765 411955534 /nfs/dbraw/zinc/95/55/34/411955534.db2.gz MZTABUMXCQTKSC-UHFFFAOYSA-N 0 3 249.402 3.312 20 0 BGADHN Cc1noc(C)c1CN1CCC[C@H](C2CCC2)C1 ZINC000662038172 411954678 /nfs/dbraw/zinc/95/46/78/411954678.db2.gz KYYSSQYFRYZJRJ-AWEZNQCLSA-N 0 3 248.370 3.304 20 0 BGADHN Cc1noc(C)c1CN1CCC[C@@H](C2CCC2)C1 ZINC000662038176 411954931 /nfs/dbraw/zinc/95/49/31/411954931.db2.gz KYYSSQYFRYZJRJ-CQSZACIVSA-N 0 3 248.370 3.304 20 0 BGADHN CCC(CC)CCCN(C)Cc1cc(C)ncn1 ZINC000662039044 411955737 /nfs/dbraw/zinc/95/57/37/411955737.db2.gz STYCLQIVCYWRMM-UHFFFAOYSA-N 0 3 249.402 3.433 20 0 BGADHN CCC(CC)CCCN(C)Cc1cnn(C)c1 ZINC000662039117 411956743 /nfs/dbraw/zinc/95/67/43/411956743.db2.gz OMVAETKDPJUMIU-UHFFFAOYSA-N 0 3 237.391 3.068 20 0 BGADHN CCC(CC)CCCN(C)Cc1ccnc(N)c1 ZINC000662040058 411958921 /nfs/dbraw/zinc/95/89/21/411958921.db2.gz ZFHDXDSDJQNKTL-UHFFFAOYSA-N 0 3 249.402 3.312 20 0 BGADHN Cc1ccc(CN2CCC[C@H](C3CCC3)C2)cn1 ZINC000662042324 411960492 /nfs/dbraw/zinc/96/04/92/411960492.db2.gz FERDUDITIVFAKJ-INIZCTEOSA-N 0 3 244.382 3.402 20 0 BGADHN Cc1ccc(CN2CCC[C@@H](C3CCC3)C2)cn1 ZINC000662042326 411960483 /nfs/dbraw/zinc/96/04/83/411960483.db2.gz FERDUDITIVFAKJ-MRXNPFEDSA-N 0 3 244.382 3.402 20 0 BGADHN Cc1ccc(CN2CCC[C@H](C3CCC3)C2)nc1 ZINC000662043355 411961271 /nfs/dbraw/zinc/96/12/71/411961271.db2.gz JNASESTYGGAOMK-HNNXBMFYSA-N 0 3 244.382 3.402 20 0 BGADHN Cc1ccc(CN2CCC[C@@H](C3CCC3)C2)nc1 ZINC000662043356 411959577 /nfs/dbraw/zinc/95/95/77/411959577.db2.gz JNASESTYGGAOMK-OAHLLOKOSA-N 0 3 244.382 3.402 20 0 BGADHN Fc1cncc(CN2CCC[C@H](C3CCC3)C2)c1 ZINC000662043461 411960212 /nfs/dbraw/zinc/96/02/12/411960212.db2.gz LAXMZAOPGDAUSD-AWEZNQCLSA-N 0 3 248.345 3.233 20 0 BGADHN Fc1cncc(CN2CCC[C@@H](C3CCC3)C2)c1 ZINC000662043462 411354152 /nfs/dbraw/zinc/35/41/52/411354152.db2.gz LAXMZAOPGDAUSD-CQSZACIVSA-N 0 3 248.345 3.233 20 0 BGADHN Cc1nc(CN2CCC[C@H](C3CCC3)C2)c(C)o1 ZINC000662043858 411960716 /nfs/dbraw/zinc/96/07/16/411960716.db2.gz MQPWQAVUAQNZHK-AWEZNQCLSA-N 0 3 248.370 3.304 20 0 BGADHN Cc1nc(CN2CCC[C@@H](C3CCC3)C2)c(C)o1 ZINC000662043860 411959906 /nfs/dbraw/zinc/95/99/06/411959906.db2.gz MQPWQAVUAQNZHK-CQSZACIVSA-N 0 3 248.370 3.304 20 0 BGADHN c1ncc(CN2CCC[C@@H](C3CCC3)C2)s1 ZINC000662043877 411960935 /nfs/dbraw/zinc/96/09/35/411960935.db2.gz NBCIJFBDIUARPI-GFCCVEGCSA-N 0 3 236.384 3.155 20 0 BGADHN c1ncc(CN2CCC[C@H](C3CCC3)C2)s1 ZINC000662043878 411960156 /nfs/dbraw/zinc/96/01/56/411960156.db2.gz NBCIJFBDIUARPI-LBPRGKRZSA-N 0 3 236.384 3.155 20 0 BGADHN Cc1nc(C)c(CN2CCC[C@H](C3CCC3)C2)o1 ZINC000662043883 411960380 /nfs/dbraw/zinc/96/03/80/411960380.db2.gz NHLAKUNTACMQRG-AWEZNQCLSA-N 0 3 248.370 3.304 20 0 BGADHN Cc1nc(C)c(CN2CCC[C@@H](C3CCC3)C2)o1 ZINC000662043884 411960196 /nfs/dbraw/zinc/96/01/96/411960196.db2.gz NHLAKUNTACMQRG-CQSZACIVSA-N 0 3 248.370 3.304 20 0 BGADHN CCc1nocc1CN1CCC[C@@H](C2CCC2)C1 ZINC000662043911 411960876 /nfs/dbraw/zinc/96/08/76/411960876.db2.gz OFIBYLSFDIDJBP-CYBMUJFWSA-N 0 3 248.370 3.249 20 0 BGADHN CCc1nocc1CN1CCC[C@H](C2CCC2)C1 ZINC000662043912 411960133 /nfs/dbraw/zinc/96/01/33/411960133.db2.gz OFIBYLSFDIDJBP-ZDUSSCGKSA-N 0 3 248.370 3.249 20 0 BGADHN c1cncc(CN2CCC[C@H](C3CCC3)C2)c1 ZINC000662044565 411962429 /nfs/dbraw/zinc/96/24/29/411962429.db2.gz PBXOUECVTODFFH-HNNXBMFYSA-N 0 3 230.355 3.094 20 0 BGADHN c1cncc(CN2CCC[C@@H](C3CCC3)C2)c1 ZINC000662044566 411964262 /nfs/dbraw/zinc/96/42/62/411964262.db2.gz PBXOUECVTODFFH-OAHLLOKOSA-N 0 3 230.355 3.094 20 0 BGADHN Fc1cnccc1CN1CCC[C@@H](C2CCC2)C1 ZINC000662045090 411964186 /nfs/dbraw/zinc/96/41/86/411964186.db2.gz UDWXAMJXNSJWKA-CYBMUJFWSA-N 0 3 248.345 3.233 20 0 BGADHN Fc1cnccc1CN1CCC[C@H](C2CCC2)C1 ZINC000662045091 411963872 /nfs/dbraw/zinc/96/38/72/411963872.db2.gz UDWXAMJXNSJWKA-ZDUSSCGKSA-N 0 3 248.345 3.233 20 0 BGADHN c1ccc(CN2CCC[C@H](C3CCC3)C2)nc1 ZINC000662045103 411962312 /nfs/dbraw/zinc/96/23/12/411962312.db2.gz QWEJTMATNVZCCB-AWEZNQCLSA-N 0 3 230.355 3.094 20 0 BGADHN C[C@@H](c1cnccn1)N1CCC[C@@H](C2CCC2)C1 ZINC000662045104 411964242 /nfs/dbraw/zinc/96/42/42/411964242.db2.gz ULSYTJUXJBWJLU-GXTWGEPZSA-N 0 3 245.370 3.050 20 0 BGADHN c1ccc(CN2CCC[C@@H](C3CCC3)C2)nc1 ZINC000662045105 411963367 /nfs/dbraw/zinc/96/33/67/411963367.db2.gz QWEJTMATNVZCCB-CQSZACIVSA-N 0 3 230.355 3.094 20 0 BGADHN C[C@@H](c1cnccn1)N1CCC[C@H](C2CCC2)C1 ZINC000662045106 411962271 /nfs/dbraw/zinc/96/22/71/411962271.db2.gz ULSYTJUXJBWJLU-JSGCOSHPSA-N 0 3 245.370 3.050 20 0 BGADHN C[C@H](c1cnccn1)N1CCC[C@H](C2CCC2)C1 ZINC000662045108 411963386 /nfs/dbraw/zinc/96/33/86/411963386.db2.gz ULSYTJUXJBWJLU-OCCSQVGLSA-N 0 3 245.370 3.050 20 0 BGADHN C[C@H](c1cnccn1)N1CCC[C@@H](C2CCC2)C1 ZINC000662045110 411962510 /nfs/dbraw/zinc/96/25/10/411962510.db2.gz ULSYTJUXJBWJLU-TZMCWYRMSA-N 0 3 245.370 3.050 20 0 BGADHN Cc1ccnc(CN2CCC[C@H](C3CCC3)C2)c1 ZINC000662045514 411964054 /nfs/dbraw/zinc/96/40/54/411964054.db2.gz YEDVBVTUQGVQOM-HNNXBMFYSA-N 0 3 244.382 3.402 20 0 BGADHN Cc1ccnc(CN2CCC[C@@H](C3CCC3)C2)c1 ZINC000662045515 411964093 /nfs/dbraw/zinc/96/40/93/411964093.db2.gz YEDVBVTUQGVQOM-OAHLLOKOSA-N 0 3 244.382 3.402 20 0 BGADHN CC/C=C\CCN1CCC(c2ccon2)CC1 ZINC000662047253 411966710 /nfs/dbraw/zinc/96/67/10/411966710.db2.gz ADLRZIDMPWELQH-ARJAWSKDSA-N 0 3 234.343 3.210 20 0 BGADHN CC/C=C/CCN1CCC(c2ccon2)CC1 ZINC000662047255 411965880 /nfs/dbraw/zinc/96/58/80/411965880.db2.gz ADLRZIDMPWELQH-ONEGZZNKSA-N 0 3 234.343 3.210 20 0 BGADHN CC(C)=CCCN1CCC(c2ccon2)CC1 ZINC000662047819 411965464 /nfs/dbraw/zinc/96/54/64/411965464.db2.gz DLBTVYBGWVQQJE-UHFFFAOYSA-N 0 3 234.343 3.210 20 0 BGADHN c1csc(CN2CCC(c3ccon3)CC2)c1 ZINC000662048356 411354478 /nfs/dbraw/zinc/35/44/78/411354478.db2.gz TYPBUEJVDIWASR-UHFFFAOYSA-N 0 3 248.351 3.116 20 0 BGADHN c1cc(C2CCN(CCCC3CCC3)CC2)no1 ZINC000662049160 411965378 /nfs/dbraw/zinc/96/53/78/411965378.db2.gz SVFRJFIPBLQLQE-UHFFFAOYSA-N 0 3 248.370 3.434 20 0 BGADHN CC(C)=CCN1CC[C@@H](Oc2ccccc2)C1 ZINC000662063011 411968372 /nfs/dbraw/zinc/96/83/72/411968372.db2.gz OIVJVLZWCYBUAR-OAHLLOKOSA-N 0 3 231.339 3.106 20 0 BGADHN c1ccc(O[C@@H]2CCN([C@@H]3C=CCCC3)C2)cc1 ZINC000662065978 411967742 /nfs/dbraw/zinc/96/77/42/411967742.db2.gz ZKKYCBAWGFLNRU-GDBMZVCRSA-N 0 3 243.350 3.248 20 0 BGADHN c1ccc(O[C@@H]2CCN([C@H]3C=CCCC3)C2)cc1 ZINC000662065979 411967692 /nfs/dbraw/zinc/96/76/92/411967692.db2.gz ZKKYCBAWGFLNRU-GOEBONIOSA-N 0 3 243.350 3.248 20 0 BGADHN Cc1nc(CNC2(CC(C)C)CC2)sc1C ZINC000662066315 411968508 /nfs/dbraw/zinc/96/85/08/411968508.db2.gz IWOIPOKLIMQMPO-UHFFFAOYSA-N 0 3 238.400 3.428 20 0 BGADHN CC(C)CC1(NCc2ccc(Cl)cn2)CC1 ZINC000662066316 411968422 /nfs/dbraw/zinc/96/84/22/411968422.db2.gz JAUXPFZYQQEFTR-UHFFFAOYSA-N 0 3 238.762 3.403 20 0 BGADHN CCc1ccc(CNC2(CC(C)C)CC2)nc1 ZINC000662066511 411970501 /nfs/dbraw/zinc/97/05/01/411970501.db2.gz NPTMUIBGKNULGO-UHFFFAOYSA-N 0 3 232.371 3.312 20 0 BGADHN CCc1nc(C)c(CNC2(CC(C)C)CC2)o1 ZINC000662066524 411355735 /nfs/dbraw/zinc/35/57/35/411355735.db2.gz NVWMGNWOQXKMMA-UHFFFAOYSA-N 0 3 236.359 3.214 20 0 BGADHN Cc1nsc(C)c1CNC1(CC(C)C)CC1 ZINC000662066792 411969380 /nfs/dbraw/zinc/96/93/80/411969380.db2.gz QZWFXLYTQPXVBI-UHFFFAOYSA-N 0 3 238.400 3.428 20 0 BGADHN Cc1cnc([C@@H](C)NC2(CC(C)C)CC2)cn1 ZINC000662067201 411970024 /nfs/dbraw/zinc/97/00/24/411970024.db2.gz WDYPIIRARRHROU-GFCCVEGCSA-N 0 3 233.359 3.014 20 0 BGADHN Cc1cnc([C@H](C)NC2(CC(C)C)CC2)cn1 ZINC000662067202 411970482 /nfs/dbraw/zinc/97/04/82/411970482.db2.gz WDYPIIRARRHROU-LBPRGKRZSA-N 0 3 233.359 3.014 20 0 BGADHN CC(C)CC1(NCc2cc(C3CC3)no2)CC1 ZINC000662067350 411969858 /nfs/dbraw/zinc/96/98/58/411969858.db2.gz XCCLFAXJUNTJFO-UHFFFAOYSA-N 0 3 234.343 3.220 20 0 BGADHN Cc1cccc(CNC2(CC(C)C)CC2)n1 ZINC000662067553 411970216 /nfs/dbraw/zinc/97/02/16/411970216.db2.gz ZBBCSLNQTYWSSW-UHFFFAOYSA-N 0 3 218.344 3.058 20 0 BGADHN CC(C)CC1(NCc2ccncc2Cl)CC1 ZINC000662067625 411355543 /nfs/dbraw/zinc/35/55/43/411355543.db2.gz APFRMBYDNTWSNF-UHFFFAOYSA-N 0 3 238.762 3.403 20 0 BGADHN CC(C)CC1(NCc2ccn(C(C)C)n2)CC1 ZINC000662069270 411970228 /nfs/dbraw/zinc/97/02/28/411970228.db2.gz JKJLRDCZFMMIHK-UHFFFAOYSA-N 0 3 235.375 3.132 20 0 BGADHN CC(C)c1cccc(CN2CCC3(COC3)C2)c1 ZINC000662069842 411971263 /nfs/dbraw/zinc/97/12/63/411971263.db2.gz KMFAWLLNGBMNKT-UHFFFAOYSA-N 0 3 245.366 3.032 20 0 BGADHN CCc1noc(C)c1CNC1(CC(C)C)CC1 ZINC000662070038 411972766 /nfs/dbraw/zinc/97/27/66/411972766.db2.gz POEVZVUWIRBVDA-UHFFFAOYSA-N 0 3 236.359 3.214 20 0 BGADHN Cc1cccnc1CNC1(CC(C)C)CC1 ZINC000662072532 411974842 /nfs/dbraw/zinc/97/48/42/411974842.db2.gz RRDHTWZTPXTKMO-UHFFFAOYSA-N 0 3 218.344 3.058 20 0 BGADHN Cc1ccnc(CNC2(CC(C)C)CC2)c1 ZINC000662073188 411973302 /nfs/dbraw/zinc/97/33/02/411973302.db2.gz XNWDHPXMFRNLOF-UHFFFAOYSA-N 0 3 218.344 3.058 20 0 BGADHN CCC(CC)CN1CCOc2ccc(O)cc2C1 ZINC000662093628 411985608 /nfs/dbraw/zinc/98/56/08/411985608.db2.gz TZCYXLVYXOWEFS-UHFFFAOYSA-N 0 3 249.354 3.023 20 0 BGADHN CC(C)(C)CCN1CCOc2ccc(O)cc2C1 ZINC000662093717 411986211 /nfs/dbraw/zinc/98/62/11/411986211.db2.gz VXSUENLAWHRURY-UHFFFAOYSA-N 0 3 249.354 3.023 20 0 BGADHN CC(C)C[C@@H](C)N1CCOc2ccc(O)cc2C1 ZINC000662094073 411985852 /nfs/dbraw/zinc/98/58/52/411985852.db2.gz ZWFRNPLHKMRAQL-GFCCVEGCSA-N 0 3 249.354 3.021 20 0 BGADHN CC(C)C[C@H](C)N1CCOc2ccc(O)cc2C1 ZINC000662094074 411361358 /nfs/dbraw/zinc/36/13/58/411361358.db2.gz ZWFRNPLHKMRAQL-LBPRGKRZSA-N 0 3 249.354 3.021 20 0 BGADHN CCCC[C@@H](CC)CN1CCc2nccnc2C1 ZINC000662122102 411992388 /nfs/dbraw/zinc/99/23/88/411992388.db2.gz VRYURQFNBSADHP-CYBMUJFWSA-N 0 3 247.386 3.051 20 0 BGADHN CCCC[C@H](CC)CN1CCc2nccnc2C1 ZINC000662122104 411992310 /nfs/dbraw/zinc/99/23/10/411992310.db2.gz VRYURQFNBSADHP-ZDUSSCGKSA-N 0 3 247.386 3.051 20 0 BGADHN CC1C[C@H]2CC[C@@H](C1)N2Cc1cc(C2CC2)no1 ZINC000662129161 411995349 /nfs/dbraw/zinc/99/53/49/411995349.db2.gz XKWGTMKMTQQQAA-VGPLMAKISA-N 0 3 246.354 3.315 20 0 BGADHN CC(C)n1ccc(CN2[C@@H]3CC[C@H]2CC(C)C3)n1 ZINC000662131523 411998111 /nfs/dbraw/zinc/99/81/11/411998111.db2.gz RJHBIVQDKHKPPY-LQDVMPOASA-N 0 3 247.386 3.227 20 0 BGADHN CCCCC[C@H]1CCCCN1Cc1cn(C)cn1 ZINC000662153558 412009555 /nfs/dbraw/zinc/00/95/55/412009555.db2.gz FWBXGPNEBDQSST-HNNXBMFYSA-N 0 3 249.402 3.355 20 0 BGADHN CCCCC[C@@H]1CCCCN1Cc1cn(C)cn1 ZINC000662153559 412008048 /nfs/dbraw/zinc/00/80/48/412008048.db2.gz FWBXGPNEBDQSST-OAHLLOKOSA-N 0 3 249.402 3.355 20 0 BGADHN CCCCC[C@H]1CCCCN1Cc1ccn(C)n1 ZINC000662153566 412007950 /nfs/dbraw/zinc/00/79/50/412007950.db2.gz GFHDWYTWJVFXOT-HNNXBMFYSA-N 0 3 249.402 3.355 20 0 BGADHN CCCCC[C@@H]1CCCCN1Cc1ccn(C)n1 ZINC000662153567 412009610 /nfs/dbraw/zinc/00/96/10/412009610.db2.gz GFHDWYTWJVFXOT-OAHLLOKOSA-N 0 3 249.402 3.355 20 0 BGADHN CCCCC[C@H]1CCCCN1Cc1ccnn1C ZINC000662155385 412009032 /nfs/dbraw/zinc/00/90/32/412009032.db2.gz MLUZUHYOLVDIAZ-AWEZNQCLSA-N 0 3 249.402 3.355 20 0 BGADHN CCCCC[C@@H]1CCCCN1Cc1ccnn1C ZINC000662155386 412011818 /nfs/dbraw/zinc/01/18/18/412011818.db2.gz MLUZUHYOLVDIAZ-CQSZACIVSA-N 0 3 249.402 3.355 20 0 BGADHN CCCCC[C@H]1CCCCN1Cc1cncn1C ZINC000662155393 412010970 /nfs/dbraw/zinc/01/09/70/412010970.db2.gz MMWAOYXKERUFRZ-AWEZNQCLSA-N 0 3 249.402 3.355 20 0 BGADHN CCCCC[C@@H]1CCCCN1Cc1cncn1C ZINC000662155394 412010589 /nfs/dbraw/zinc/01/05/89/412010589.db2.gz MMWAOYXKERUFRZ-CQSZACIVSA-N 0 3 249.402 3.355 20 0 BGADHN c1cc(CN2CCCC[C@@H]2CC2CCC2)on1 ZINC000662155976 412011798 /nfs/dbraw/zinc/01/17/98/412011798.db2.gz JGVWVLMBESKNGK-CYBMUJFWSA-N 0 3 234.343 3.219 20 0 BGADHN c1cc(CN2CCCC[C@H]2CC2CCC2)on1 ZINC000662155978 412010260 /nfs/dbraw/zinc/01/02/60/412010260.db2.gz JGVWVLMBESKNGK-ZDUSSCGKSA-N 0 3 234.343 3.219 20 0 BGADHN CCCCC[C@H]1CCCCN1Cc1cc[nH]n1 ZINC000662156150 411369024 /nfs/dbraw/zinc/36/90/24/411369024.db2.gz PRHIOGGYTZWSQF-AWEZNQCLSA-N 0 3 235.375 3.345 20 0 BGADHN CCCCC[C@@H]1CCCCN1Cc1cc[nH]n1 ZINC000662156154 411369185 /nfs/dbraw/zinc/36/91/85/411369185.db2.gz PRHIOGGYTZWSQF-CQSZACIVSA-N 0 3 235.375 3.345 20 0 BGADHN CC[C@@H]1CCC[C@H](C)N1Cc1cc(C)no1 ZINC000662156704 412011189 /nfs/dbraw/zinc/01/11/89/412011189.db2.gz BUWDYYSRWXDHBH-NWDGAFQWSA-N 0 3 222.332 3.136 20 0 BGADHN CCCCC[C@H]1CCCCN1Cc1cn[nH]c1 ZINC000662156716 412011662 /nfs/dbraw/zinc/01/16/62/412011662.db2.gz SMTFJLPEMOTVPV-AWEZNQCLSA-N 0 3 235.375 3.345 20 0 BGADHN CCCCC[C@@H]1CCCCN1Cc1cn[nH]c1 ZINC000662156718 412010371 /nfs/dbraw/zinc/01/03/71/412010371.db2.gz SMTFJLPEMOTVPV-CQSZACIVSA-N 0 3 235.375 3.345 20 0 BGADHN CC[C@@H]1CCC[C@H](C)N1Cc1ncc(C)o1 ZINC000662157067 412011129 /nfs/dbraw/zinc/01/11/29/412011129.db2.gz IKSFJZSYDMEOQH-CMPLNLGQSA-N 0 3 222.332 3.136 20 0 BGADHN CCCCC[C@H]1CCCCN1Cc1cnn(C)c1 ZINC000662157177 412010356 /nfs/dbraw/zinc/01/03/56/412010356.db2.gz UIKZPOVGZNJAFF-HNNXBMFYSA-N 0 3 249.402 3.355 20 0 BGADHN CCCCC[C@@H]1CCCCN1Cc1cnn(C)c1 ZINC000662157178 412010609 /nfs/dbraw/zinc/01/06/09/412010609.db2.gz UIKZPOVGZNJAFF-OAHLLOKOSA-N 0 3 249.402 3.355 20 0 BGADHN CCCCC[C@H]1CCCCN1Cc1c[nH]cn1 ZINC000662157563 412011759 /nfs/dbraw/zinc/01/17/59/412011759.db2.gz WXOZUHUIELUXTP-AWEZNQCLSA-N 0 3 235.375 3.345 20 0 BGADHN CCCCC[C@@H]1CCCCN1Cc1c[nH]cn1 ZINC000662157564 412010795 /nfs/dbraw/zinc/01/07/95/412010795.db2.gz WXOZUHUIELUXTP-CQSZACIVSA-N 0 3 235.375 3.345 20 0 BGADHN c1cc(CN2CCCC[C@H]2CC2CCC2)no1 ZINC000662158511 412011938 /nfs/dbraw/zinc/01/19/38/412011938.db2.gz WACIEOGALDNCNT-AWEZNQCLSA-N 0 3 234.343 3.219 20 0 BGADHN c1cc(CN2CCCC[C@@H]2CC2CCC2)no1 ZINC000662158513 412011343 /nfs/dbraw/zinc/01/13/43/412011343.db2.gz WACIEOGALDNCNT-CQSZACIVSA-N 0 3 234.343 3.219 20 0 BGADHN CC[C@@H]1CCC[C@H](C)N1Cc1cc(C)on1 ZINC000662158570 412011018 /nfs/dbraw/zinc/01/10/18/412011018.db2.gz UTGGBJGWGZETQP-GXFFZTMASA-N 0 3 222.332 3.136 20 0 BGADHN CC[C@@H]1CCC[C@H](C)N1Cc1cc(OC)ccn1 ZINC000662158595 412010658 /nfs/dbraw/zinc/01/06/58/412010658.db2.gz VZCXEDIDBSNWII-GXTWGEPZSA-N 0 3 248.370 3.243 20 0 BGADHN CC[C@@H]1CCC[C@H](C)N1Cc1nc(C)c(C)o1 ZINC000662158800 412012590 /nfs/dbraw/zinc/01/25/90/412012590.db2.gz XKKJZDXRXJANPP-GXFFZTMASA-N 0 3 236.359 3.444 20 0 BGADHN CC[C@@H]1CCC[C@H](C)N1Cc1cncc(F)c1 ZINC000662159653 412013847 /nfs/dbraw/zinc/01/38/47/412013847.db2.gz BFIFDIUUUUSDDP-SMDDNHRTSA-N 0 3 236.334 3.374 20 0 BGADHN CC[C@@H]1CCC[C@H](C)N1Cc1cncs1 ZINC000662159689 412012461 /nfs/dbraw/zinc/01/24/61/412012461.db2.gz COYRSGGJFJUPPG-WDEREUQCSA-N 0 3 224.373 3.296 20 0 BGADHN CC[C@@H]1CCC[C@H](C)N1Cc1cncc(OC)c1 ZINC000662159952 412013786 /nfs/dbraw/zinc/01/37/86/412013786.db2.gz FOGDMFHRVIQLLX-GXTWGEPZSA-N 0 3 248.370 3.243 20 0 BGADHN CC[C@@H]1CCC[C@H](C)N1Cc1cc(C)nc(C)n1 ZINC000662159993 412013375 /nfs/dbraw/zinc/01/33/75/412013375.db2.gz GVDIHOZQRUIESN-SWLSCSKDSA-N 0 3 247.386 3.246 20 0 BGADHN CC[C@@H]1CCC[C@H](C)N1Cc1nc(C)oc1C ZINC000662160265 412012989 /nfs/dbraw/zinc/01/29/89/412012989.db2.gz HTHNCIWFFRZJOV-GXFFZTMASA-N 0 3 236.359 3.444 20 0 BGADHN CC[C@@H]1CCC[C@H](C)N1Cc1ccncc1F ZINC000662160336 412012475 /nfs/dbraw/zinc/01/24/75/412012475.db2.gz KANCPQOPIFSAHT-WCQYABFASA-N 0 3 236.334 3.374 20 0 BGADHN CC[C@@H]1CCC[C@H](C)N1Cc1coc(C)n1 ZINC000662160861 412012409 /nfs/dbraw/zinc/01/24/09/412012409.db2.gz NQACCHQSZVHRBR-GXFFZTMASA-N 0 3 222.332 3.136 20 0 BGADHN CC[C@@H]1CCC[C@H](C)N1Cc1cnccc1OC ZINC000662161485 412013134 /nfs/dbraw/zinc/01/31/34/412013134.db2.gz TWDGMXAZBGXRCJ-GXTWGEPZSA-N 0 3 248.370 3.243 20 0 BGADHN CC[C@@H]1CCC[C@H](C)N1Cc1conc1C ZINC000662161501 412012981 /nfs/dbraw/zinc/01/29/81/412012981.db2.gz UGZSHNMMUCKYIT-GXFFZTMASA-N 0 3 222.332 3.136 20 0 BGADHN CC[C@@H]1CCC[C@H](C)N1Cc1ccc(OC)cn1 ZINC000662161622 412013097 /nfs/dbraw/zinc/01/30/97/412013097.db2.gz VEQRRJHJJFLSFM-GXTWGEPZSA-N 0 3 248.370 3.243 20 0 BGADHN CCc1nocc1CN1[C@H](CC)CCC[C@@H]1C ZINC000662161626 412012876 /nfs/dbraw/zinc/01/28/76/412012876.db2.gz VIWFFMOCMCSAEL-WCQYABFASA-N 0 3 236.359 3.390 20 0 BGADHN CC[C@@H]1CCC[C@H](C)N1Cc1nccs1 ZINC000662161790 411998225 /nfs/dbraw/zinc/99/82/25/411998225.db2.gz ZGYMUBRVFFWCQP-WDEREUQCSA-N 0 3 224.373 3.296 20 0 BGADHN Cc1nc(C)c(CN(CCC2CC2)CC2CC2)o1 ZINC000662177266 412018896 /nfs/dbraw/zinc/01/88/96/412018896.db2.gz CNVUSJAHEAOBPF-UHFFFAOYSA-N 0 3 248.370 3.304 20 0 BGADHN Fc1cncc(CN(CCC2CC2)CC2CC2)c1 ZINC000662177359 488143881 /nfs/dbraw/zinc/14/38/81/488143881.db2.gz GAIFHZBMSKUXGF-UHFFFAOYSA-N 0 3 248.345 3.233 20 0 BGADHN CCc1nocc1CN(CCC1CC1)CC1CC1 ZINC000662177365 412019901 /nfs/dbraw/zinc/01/99/01/412019901.db2.gz GCKVNFOKUMFSCN-UHFFFAOYSA-N 0 3 248.370 3.249 20 0 BGADHN Cc1noc(C)c1CN(CCC1CC1)CC1CC1 ZINC000662178060 412022076 /nfs/dbraw/zinc/02/20/76/412022076.db2.gz QMWNNDUQLLTXHI-UHFFFAOYSA-N 0 3 248.370 3.304 20 0 BGADHN CCc1cnc(CN(CCC2CC2)CC2CC2)o1 ZINC000662178448 412022100 /nfs/dbraw/zinc/02/21/00/412022100.db2.gz FADZQQBVCWSLFS-UHFFFAOYSA-N 0 3 248.370 3.249 20 0 BGADHN C[C@H](c1cnccn1)N(CCC1CC1)CC1CC1 ZINC000662178554 488144263 /nfs/dbraw/zinc/14/42/63/488144263.db2.gz XSYDCFOZQKRBDP-GFCCVEGCSA-N 0 3 245.370 3.050 20 0 BGADHN C[C@@H](c1cnccn1)N(CCC1CC1)CC1CC1 ZINC000662178555 488143850 /nfs/dbraw/zinc/14/38/50/488143850.db2.gz XSYDCFOZQKRBDP-LBPRGKRZSA-N 0 3 245.370 3.050 20 0 BGADHN Cc1nc(CN(CCC2CC2)CC2CC2)oc1C ZINC000662179194 412020711 /nfs/dbraw/zinc/02/07/11/412020711.db2.gz LIVHTWQAZVIIMU-UHFFFAOYSA-N 0 3 248.370 3.304 20 0 BGADHN c1csc(CN(CCC2CC2)CC2CC2)n1 ZINC000662179635 412022133 /nfs/dbraw/zinc/02/21/33/412022133.db2.gz ROPLLPRKJZSGJG-UHFFFAOYSA-N 0 3 236.384 3.155 20 0 BGADHN Cc1nc(CN(CCC2CC2)CC2CC2)c(C)o1 ZINC000662180656 412020785 /nfs/dbraw/zinc/02/07/85/412020785.db2.gz TYRNSTFTSUZYQT-UHFFFAOYSA-N 0 3 248.370 3.304 20 0 BGADHN c1ncc(CN(CCC2CC2)CC2CC2)s1 ZINC000662180673 412021071 /nfs/dbraw/zinc/02/10/71/412021071.db2.gz ULRCVASFPUNHQQ-UHFFFAOYSA-N 0 3 236.384 3.155 20 0 BGADHN Fc1cnccc1CN(CCC1CC1)CC1CC1 ZINC000662181361 412022753 /nfs/dbraw/zinc/02/27/53/412022753.db2.gz YJGMCVZVVAROIB-UHFFFAOYSA-N 0 3 248.345 3.233 20 0 BGADHN c1n[nH]cc1CN1CCC[C@H](C2CCCCC2)C1 ZINC000662199848 411376202 /nfs/dbraw/zinc/37/62/02/411376202.db2.gz AUCGVXDGGXZJKO-HNNXBMFYSA-N 0 3 247.386 3.202 20 0 BGADHN c1n[nH]cc1CN1CCC[C@@H](C2CCCCC2)C1 ZINC000662199851 411376130 /nfs/dbraw/zinc/37/61/30/411376130.db2.gz AUCGVXDGGXZJKO-OAHLLOKOSA-N 0 3 247.386 3.202 20 0 BGADHN c1cc(CN2CCC[C@H](C3CCCCC3)C2)on1 ZINC000662201247 412024579 /nfs/dbraw/zinc/02/45/79/412024579.db2.gz LGJGTIGBPYJGDD-AWEZNQCLSA-N 0 3 248.370 3.467 20 0 BGADHN c1cc(CN2CCC[C@@H](C3CCCCC3)C2)on1 ZINC000662201248 412024188 /nfs/dbraw/zinc/02/41/88/412024188.db2.gz LGJGTIGBPYJGDD-CQSZACIVSA-N 0 3 248.370 3.467 20 0 BGADHN c1nc(CN2CCC[C@H](C3CCCCC3)C2)c[nH]1 ZINC000662201261 412023948 /nfs/dbraw/zinc/02/39/48/412023948.db2.gz LNERZBCQIRDJMT-AWEZNQCLSA-N 0 3 247.386 3.202 20 0 BGADHN c1nc(CN2CCC[C@@H](C3CCCCC3)C2)c[nH]1 ZINC000662201262 412024500 /nfs/dbraw/zinc/02/45/00/412024500.db2.gz LNERZBCQIRDJMT-CQSZACIVSA-N 0 3 247.386 3.202 20 0 BGADHN CCc1ccccc1CN(C)CC1=CCSC1 ZINC000662263912 409557861 /nfs/dbraw/zinc/55/78/61/409557861.db2.gz NWQMLVLOYWHIOX-UHFFFAOYSA-N 0 3 247.407 3.354 20 0 BGADHN CN(CC1=CCSC1)[C@H]1CCc2ccccc21 ZINC000662264324 412056918 /nfs/dbraw/zinc/05/69/18/412056918.db2.gz QGKPITKMDBJQIU-HNNXBMFYSA-N 0 3 245.391 3.279 20 0 BGADHN CN(CC1=CCSC1)[C@@H]1CCc2ccccc21 ZINC000662264337 412056667 /nfs/dbraw/zinc/05/66/67/412056667.db2.gz QGKPITKMDBJQIU-OAHLLOKOSA-N 0 3 245.391 3.279 20 0 BGADHN Cc1ccc(CN(C)CC2=CCSC2)cc1C ZINC000662264836 412055358 /nfs/dbraw/zinc/05/53/58/412055358.db2.gz SGVMGSLXVOXZKK-UHFFFAOYSA-N 0 3 247.407 3.408 20 0 BGADHN CCc1cccc(CN(C)CC2=CCSC2)c1 ZINC000662264861 412056353 /nfs/dbraw/zinc/05/63/53/412056353.db2.gz TVFJXWNEYBAFER-UHFFFAOYSA-N 0 3 247.407 3.354 20 0 BGADHN CN(CC1=CCSC1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000662265367 412057635 /nfs/dbraw/zinc/05/76/35/412057635.db2.gz YANCZOXNLULIDS-HUUCEWRRSA-N 0 3 245.391 3.148 20 0 BGADHN Cc1ccc(CN(C)CC2=CCSC2)c(C)c1 ZINC000662266839 487505100 /nfs/dbraw/zinc/50/51/00/487505100.db2.gz NNGKNDUNJWGLFQ-UHFFFAOYSA-N 0 3 247.407 3.408 20 0 BGADHN Cc1ccc(C)c(CN(C)CC2=CCSC2)c1 ZINC000662267044 412058662 /nfs/dbraw/zinc/05/86/62/412058662.db2.gz PYYDXZVNODGQLA-UHFFFAOYSA-N 0 3 247.407 3.408 20 0 BGADHN Cc1cc(CN(C)CC2=CCSC2)cs1 ZINC000662267876 487509568 /nfs/dbraw/zinc/50/95/68/487509568.db2.gz YQJRPJFXVSVQQS-UHFFFAOYSA-N 0 3 239.409 3.162 20 0 BGADHN Cc1ccc(CCN(C)CC2=CCSC2)cc1 ZINC000662268088 412061077 /nfs/dbraw/zinc/06/10/77/412061077.db2.gz OSEVCXVOPSWFJD-UHFFFAOYSA-N 0 3 247.407 3.143 20 0 BGADHN C[C@H](c1ccccc1)N(C)CC1=CCSC1 ZINC000662268630 409568550 /nfs/dbraw/zinc/56/85/50/409568550.db2.gz FQDSPQPMWCHIOO-GFCCVEGCSA-N 0 3 233.380 3.353 20 0 BGADHN C[C@@H](c1ccccc1)N(C)CC1=CCSC1 ZINC000662268631 409568108 /nfs/dbraw/zinc/56/81/08/409568108.db2.gz FQDSPQPMWCHIOO-LBPRGKRZSA-N 0 3 233.380 3.353 20 0 BGADHN Cc1cc(C)cc(CN(C)CC2=CCSC2)c1 ZINC000662268635 409569834 /nfs/dbraw/zinc/56/98/34/409569834.db2.gz FUHKWDLSCKMPCY-UHFFFAOYSA-N 0 3 247.407 3.408 20 0 BGADHN Cc1cccc(C)c1CN(C)CC1=CCSC1 ZINC000662268641 412059958 /nfs/dbraw/zinc/05/99/58/412059958.db2.gz GAQNGCRQOQYGOM-UHFFFAOYSA-N 0 3 247.407 3.408 20 0 BGADHN CCc1ccc(CN(C)CC2=CCSC2)cc1 ZINC000662269059 412061123 /nfs/dbraw/zinc/06/11/23/412061123.db2.gz WFRUHMJRAQHAFT-UHFFFAOYSA-N 0 3 247.407 3.354 20 0 BGADHN CN(C/C=C/c1ccccc1)CC1=CCSC1 ZINC000662269881 412060446 /nfs/dbraw/zinc/06/04/46/412060446.db2.gz LTKQTBSHQQOECS-VMPITWQZSA-N 0 3 245.391 3.305 20 0 BGADHN CN(C/C=C\c1ccccc1)CC1=CCSC1 ZINC000662269882 412061068 /nfs/dbraw/zinc/06/10/68/412061068.db2.gz LTKQTBSHQQOECS-YVMONPNESA-N 0 3 245.391 3.305 20 0 BGADHN Cc1cccc(CN(C)CC2=CCSC2)c1 ZINC000662269886 412060977 /nfs/dbraw/zinc/06/09/77/412060977.db2.gz LXEAAWRXRWGBJG-UHFFFAOYSA-N 0 3 233.380 3.100 20 0 BGADHN Cc1ccc(CN(C)CC2=CCSC2)cc1 ZINC000662270329 412060594 /nfs/dbraw/zinc/06/05/94/412060594.db2.gz QPIQALGKPPDEFY-UHFFFAOYSA-N 0 3 233.380 3.100 20 0 BGADHN Cc1ccccc1CN(C)CC1=CCSC1 ZINC000662270739 412062922 /nfs/dbraw/zinc/06/29/22/412062922.db2.gz VCISVWHJMIGWSX-UHFFFAOYSA-N 0 3 233.380 3.100 20 0 BGADHN C[C@@H]1c2ccccc2CN1C[C@H]1CC[C@H](C)O1 ZINC000662285782 412078226 /nfs/dbraw/zinc/07/82/26/412078226.db2.gz ILBXWNCDFLZHRM-OUCADQQQSA-N 0 3 231.339 3.131 20 0 BGADHN C[C@@H]1c2ccccc2CN1C[C@@H]1CC[C@H](C)O1 ZINC000662285784 412076530 /nfs/dbraw/zinc/07/65/30/412076530.db2.gz ILBXWNCDFLZHRM-SCRDCRAPSA-N 0 3 231.339 3.131 20 0 BGADHN COCC1(NCc2ccsc2)CCCCC1 ZINC000662339619 412108606 /nfs/dbraw/zinc/10/86/06/412108606.db2.gz KYFXWDWYSBHFBG-UHFFFAOYSA-N 0 3 239.384 3.187 20 0 BGADHN CCC[C@@H](O)CN[C@@]1(c2ccccc2)CC1(C)C ZINC000662341827 412110214 /nfs/dbraw/zinc/11/02/14/412110214.db2.gz XVCQGOMPFFSFSO-GDBMZVCRSA-N 0 3 247.382 3.062 20 0 BGADHN CCC[C@H](O)CN[C@@]1(c2ccccc2)CC1(C)C ZINC000662341829 412109680 /nfs/dbraw/zinc/10/96/80/412109680.db2.gz XVCQGOMPFFSFSO-GOEBONIOSA-N 0 3 247.382 3.062 20 0 BGADHN CCC[C@H](O)CN[C@]1(c2ccccc2)CC1(C)C ZINC000662341830 412109358 /nfs/dbraw/zinc/10/93/58/412109358.db2.gz XVCQGOMPFFSFSO-HOCLYGCPSA-N 0 3 247.382 3.062 20 0 BGADHN CCC[C@@H](O)CN[C@]1(c2ccccc2)CC1(C)C ZINC000662341831 412110538 /nfs/dbraw/zinc/11/05/38/412110538.db2.gz XVCQGOMPFFSFSO-ZBFHGGJFSA-N 0 3 247.382 3.062 20 0 BGADHN CN(Cc1ccc(Cl)cn1)C[C@@H]1CC1(C)C ZINC000662342805 409653187 /nfs/dbraw/zinc/65/31/87/409653187.db2.gz CSIZRNYDYSNQHB-JTQLQIEISA-N 0 3 238.762 3.213 20 0 BGADHN CN(Cc1ccc(Cl)cn1)C[C@H]1CC1(C)C ZINC000662342809 409652774 /nfs/dbraw/zinc/65/27/74/409652774.db2.gz CSIZRNYDYSNQHB-SNVBAGLBSA-N 0 3 238.762 3.213 20 0 BGADHN CN(Cc1cnn(C(C)(C)C)c1)C[C@H]1CC1(C)C ZINC000662342841 412111184 /nfs/dbraw/zinc/11/11/84/412111184.db2.gz DCZQLHWTAJKLTA-CYBMUJFWSA-N 0 3 249.402 3.116 20 0 BGADHN CN(Cc1cnn(C(C)(C)C)c1)C[C@@H]1CC1(C)C ZINC000662342842 412111783 /nfs/dbraw/zinc/11/17/83/412111783.db2.gz DCZQLHWTAJKLTA-ZDUSSCGKSA-N 0 3 249.402 3.116 20 0 BGADHN Cc1nsc(C)c1CN(C)C[C@H]1CC1(C)C ZINC000662342843 412112249 /nfs/dbraw/zinc/11/22/49/412112249.db2.gz DDRZAYUYFSMAMM-LLVKDONJSA-N 0 3 238.400 3.238 20 0 BGADHN Cc1nsc(C)c1CN(C)C[C@@H]1CC1(C)C ZINC000662342844 412111012 /nfs/dbraw/zinc/11/10/12/412111012.db2.gz DDRZAYUYFSMAMM-NSHDSACASA-N 0 3 238.400 3.238 20 0 BGADHN CCc1ccc(CN(C)C[C@H]2CC2(C)C)nc1 ZINC000662343155 409657847 /nfs/dbraw/zinc/65/78/47/409657847.db2.gz ICIBRACOUWKXFX-CYBMUJFWSA-N 0 3 232.371 3.122 20 0 BGADHN CCc1ccc(CN(C)C[C@@H]2CC2(C)C)nc1 ZINC000662343156 409657547 /nfs/dbraw/zinc/65/75/47/409657547.db2.gz ICIBRACOUWKXFX-ZDUSSCGKSA-N 0 3 232.371 3.122 20 0 BGADHN CC1(C)C[C@@]1(NC[C@H]1CCCO1)c1ccccc1 ZINC000662344390 412113924 /nfs/dbraw/zinc/11/39/24/412113924.db2.gz RETBQBIQFYKPNV-GDBMZVCRSA-N 0 3 245.366 3.080 20 0 BGADHN CC1(C)C[C@@]1(NC[C@@H]1CCCO1)c1ccccc1 ZINC000662344397 409657155 /nfs/dbraw/zinc/65/71/55/409657155.db2.gz RETBQBIQFYKPNV-GOEBONIOSA-N 0 3 245.366 3.080 20 0 BGADHN CC1(C)C[C@]1(NC[C@@H]1CCCO1)c1ccccc1 ZINC000662344405 409657273 /nfs/dbraw/zinc/65/72/73/409657273.db2.gz RETBQBIQFYKPNV-HOCLYGCPSA-N 0 3 245.366 3.080 20 0 BGADHN CC1(C)C[C@]1(NC[C@H]1CCCO1)c1ccccc1 ZINC000662344424 409657635 /nfs/dbraw/zinc/65/76/35/409657635.db2.gz RETBQBIQFYKPNV-ZBFHGGJFSA-N 0 3 245.366 3.080 20 0 BGADHN C[C@H](c1ccccn1)N(C)C[C@@H]1CC1(C)C ZINC000662344623 412113963 /nfs/dbraw/zinc/11/39/63/412113963.db2.gz IDRHPPNJQRCCJQ-NEPJUHHUSA-N 0 3 218.344 3.121 20 0 BGADHN C[C@@H](c1ccccn1)N(C)C[C@H]1CC1(C)C ZINC000662344624 412114005 /nfs/dbraw/zinc/11/40/05/412114005.db2.gz IDRHPPNJQRCCJQ-NWDGAFQWSA-N 0 3 218.344 3.121 20 0 BGADHN C[C@@H](c1ccccn1)N(C)C[C@@H]1CC1(C)C ZINC000662344625 412114169 /nfs/dbraw/zinc/11/41/69/412114169.db2.gz IDRHPPNJQRCCJQ-RYUDHWBXSA-N 0 3 218.344 3.121 20 0 BGADHN C[C@H](c1ccccn1)N(C)C[C@H]1CC1(C)C ZINC000662344626 412113302 /nfs/dbraw/zinc/11/33/02/412113302.db2.gz IDRHPPNJQRCCJQ-VXGBXAGGSA-N 0 3 218.344 3.121 20 0 BGADHN CN(Cc1ccsc1)C[C@H]1CC1(C)C ZINC000662344708 412112980 /nfs/dbraw/zinc/11/29/80/412112980.db2.gz RWMAKJDYVZRJQW-LLVKDONJSA-N 0 3 209.358 3.226 20 0 BGADHN CN(Cc1ccsc1)C[C@@H]1CC1(C)C ZINC000662344710 412113547 /nfs/dbraw/zinc/11/35/47/412113547.db2.gz RWMAKJDYVZRJQW-NSHDSACASA-N 0 3 209.358 3.226 20 0 BGADHN CC(=O)c1cccc(CN(C)C[C@@H]2CC2(C)C)c1 ZINC000662345126 409660977 /nfs/dbraw/zinc/66/09/77/409660977.db2.gz WQDMYVWCHBDHDA-HNNXBMFYSA-N 0 3 245.366 3.367 20 0 BGADHN CC(=O)c1cccc(CN(C)C[C@H]2CC2(C)C)c1 ZINC000662345130 409660853 /nfs/dbraw/zinc/66/08/53/409660853.db2.gz WQDMYVWCHBDHDA-OAHLLOKOSA-N 0 3 245.366 3.367 20 0 BGADHN CCc1nc(C)c(CN(C)C[C@H]2CC2(C)C)o1 ZINC000662345353 412113331 /nfs/dbraw/zinc/11/33/31/412113331.db2.gz XUWDJQDWBGDKFD-LLVKDONJSA-N 0 3 236.359 3.023 20 0 BGADHN CCc1nc(C)c(CN(C)C[C@@H]2CC2(C)C)o1 ZINC000662345364 412113516 /nfs/dbraw/zinc/11/35/16/412113516.db2.gz XUWDJQDWBGDKFD-NSHDSACASA-N 0 3 236.359 3.023 20 0 BGADHN CN(Cc1cc(C2CC2)no1)C[C@H]1CC1(C)C ZINC000662345537 412114091 /nfs/dbraw/zinc/11/40/91/412114091.db2.gz ZTMHRDLERHNMBR-LLVKDONJSA-N 0 3 234.343 3.030 20 0 BGADHN CN(Cc1cc(C2CC2)no1)C[C@@H]1CC1(C)C ZINC000662345539 409660126 /nfs/dbraw/zinc/66/01/26/409660126.db2.gz ZTMHRDLERHNMBR-NSHDSACASA-N 0 3 234.343 3.030 20 0 BGADHN Cc1ccc(CN(C)C[C@@H]2CC2(C)C)c(C)n1 ZINC000662346539 412115576 /nfs/dbraw/zinc/11/55/76/412115576.db2.gz XFICNCPNMNFVIS-AWEZNQCLSA-N 0 3 232.371 3.176 20 0 BGADHN Cc1ccc(CN(C)C[C@H]2CC2(C)C)c(C)n1 ZINC000662346541 412115060 /nfs/dbraw/zinc/11/50/60/412115060.db2.gz XFICNCPNMNFVIS-CQSZACIVSA-N 0 3 232.371 3.176 20 0 BGADHN Cc1nc(C)c(CN(C)C[C@H]2CC2(C)C)s1 ZINC000662346830 412117754 /nfs/dbraw/zinc/11/77/54/412117754.db2.gz VPBFPDBAPGXTBI-LLVKDONJSA-N 0 3 238.400 3.238 20 0 BGADHN Cc1nc(C)c(CN(C)C[C@@H]2CC2(C)C)s1 ZINC000662346831 412118188 /nfs/dbraw/zinc/11/81/88/412118188.db2.gz VPBFPDBAPGXTBI-NSHDSACASA-N 0 3 238.400 3.238 20 0 BGADHN CCc1noc(C)c1CN(C)C[C@H]1CC1(C)C ZINC000662347074 412119127 /nfs/dbraw/zinc/11/91/27/412119127.db2.gz YNYBAPNHLDLZKF-LLVKDONJSA-N 0 3 236.359 3.023 20 0 BGADHN CCc1noc(C)c1CN(C)C[C@@H]1CC1(C)C ZINC000662347075 412119260 /nfs/dbraw/zinc/11/92/60/412119260.db2.gz YNYBAPNHLDLZKF-NSHDSACASA-N 0 3 236.359 3.023 20 0 BGADHN CN(Cc1nc2ccccc2o1)C[C@H]1CC1(C)C ZINC000662348378 412118657 /nfs/dbraw/zinc/11/86/57/412118657.db2.gz UMNNLQZMGZGPHI-LLVKDONJSA-N 0 3 244.338 3.306 20 0 BGADHN CN(Cc1nc2ccccc2o1)C[C@@H]1CC1(C)C ZINC000662348380 412118775 /nfs/dbraw/zinc/11/87/75/412118775.db2.gz UMNNLQZMGZGPHI-NSHDSACASA-N 0 3 244.338 3.306 20 0 BGADHN Cc1nc(CN2CCC[C@@H]3CCCC[C@@H]32)co1 ZINC000662373799 412129814 /nfs/dbraw/zinc/12/98/14/412129814.db2.gz DSMZJLSYNIXFFG-JSGCOSHPSA-N 0 3 234.343 3.138 20 0 BGADHN c1ncc(CN2CCC[C@@H]3CCCC[C@@H]32)s1 ZINC000662374097 412130214 /nfs/dbraw/zinc/13/02/14/412130214.db2.gz GCHDGBDLSRRSBO-AAEUAGOBSA-N 0 3 236.384 3.298 20 0 BGADHN Cc1nc(CN2CCC[C@@H]3CCCC[C@@H]32)c(C)o1 ZINC000662374833 537833849 /nfs/dbraw/zinc/83/38/49/537833849.db2.gz PEZXBCDQDMQRAY-ZFWWWQNUSA-N 0 3 248.370 3.446 20 0 BGADHN Cc1nocc1CN1CCC[C@@H]2CCCC[C@@H]21 ZINC000662374838 412129009 /nfs/dbraw/zinc/12/90/09/412129009.db2.gz PKEJMYPBTHJDQZ-JSGCOSHPSA-N 0 3 234.343 3.138 20 0 BGADHN CC12CC(C1)CN2Cc1cccc(Cl)c1 ZINC000662380136 412131818 /nfs/dbraw/zinc/13/18/18/412131818.db2.gz KWIAJKWPQUWREZ-UHFFFAOYSA-N 0 3 221.731 3.324 20 0 BGADHN CSc1ccc(CN2CC3CC2(C)C3)cc1 ZINC000662380350 412132138 /nfs/dbraw/zinc/13/21/38/412132138.db2.gz HFAPKBHAQLYWKZ-UHFFFAOYSA-N 0 3 233.380 3.393 20 0 BGADHN CC12CC(C1)CN2C/C=C/c1ccccc1 ZINC000662381042 412133340 /nfs/dbraw/zinc/13/33/40/412133340.db2.gz NFJJMWJMJTYTLT-VMPITWQZSA-N 0 3 213.324 3.184 20 0 BGADHN CC12CC(C1)CN2C/C=C\c1ccccc1 ZINC000662381043 412133120 /nfs/dbraw/zinc/13/31/20/412133120.db2.gz NFJJMWJMJTYTLT-YVMONPNESA-N 0 3 213.324 3.184 20 0 BGADHN CC12CC(C1)CN2Cc1ccccc1Cl ZINC000662381094 412129165 /nfs/dbraw/zinc/12/91/65/412129165.db2.gz UOYOZJXWHGGTBD-UHFFFAOYSA-N 0 3 221.731 3.324 20 0 BGADHN CC12CC(C1)CN2Cc1ccc(Cl)cc1 ZINC000662381356 412133048 /nfs/dbraw/zinc/13/30/48/412133048.db2.gz QOPPWYITAAENFA-UHFFFAOYSA-N 0 3 221.731 3.324 20 0 BGADHN C[C@H](c1ccc(F)cc1)N1CC2CC1(C)C2 ZINC000662381665 409684658 /nfs/dbraw/zinc/68/46/58/409684658.db2.gz ZVMDVRNADKATML-CDWSIMAYSA-N 0 3 219.303 3.371 20 0 BGADHN C[C@@H](c1ccc(F)cc1)N1CC2CC1(C)C2 ZINC000662381666 409684250 /nfs/dbraw/zinc/68/42/50/409684250.db2.gz ZVMDVRNADKATML-IFQILLTASA-N 0 3 219.303 3.371 20 0 BGADHN C[C@H](c1cccc(F)c1)N1CC2CC1(C)C2 ZINC000662381767 412134698 /nfs/dbraw/zinc/13/46/98/412134698.db2.gz DJTMXZPQYYPDOC-CDWSIMAYSA-N 0 3 219.303 3.371 20 0 BGADHN C[C@@H](c1cccc(F)c1)N1CC2CC1(C)C2 ZINC000662381768 412134491 /nfs/dbraw/zinc/13/44/91/412134491.db2.gz DJTMXZPQYYPDOC-IFQILLTASA-N 0 3 219.303 3.371 20 0 BGADHN C[C@H](c1ccccc1F)N1CC2CC1(C)C2 ZINC000662382276 412134305 /nfs/dbraw/zinc/13/43/05/412134305.db2.gz PDVOQIFYVKICJO-CDWSIMAYSA-N 0 3 219.303 3.371 20 0 BGADHN C[C@@H](c1ccccc1F)N1CC2CC1(C)C2 ZINC000662382277 412134794 /nfs/dbraw/zinc/13/47/94/412134794.db2.gz PDVOQIFYVKICJO-IFQILLTASA-N 0 3 219.303 3.371 20 0 BGADHN CC(C)Oc1cccc(CN2CC3CC2(C)C3)c1 ZINC000662382488 412134479 /nfs/dbraw/zinc/13/44/79/412134479.db2.gz VOUGXVKJAOVNPJ-UHFFFAOYSA-N 0 3 245.366 3.458 20 0 BGADHN CC(C)Oc1ccccc1CN1CC2CC1(C)C2 ZINC000662382568 409687866 /nfs/dbraw/zinc/68/78/66/409687866.db2.gz ZKIDEDHGSXLVDJ-UHFFFAOYSA-N 0 3 245.366 3.458 20 0 BGADHN CC12CC(C1)CN2Cc1cc2ccccc2o1 ZINC000662382598 412134846 /nfs/dbraw/zinc/13/48/46/412134846.db2.gz NGLSZFZDFJEHRK-UHFFFAOYSA-N 0 3 227.307 3.417 20 0 BGADHN CC12CC(C1)CN2CCc1ccccc1Cl ZINC000662384301 412135841 /nfs/dbraw/zinc/13/58/41/412135841.db2.gz WZMQSINKWVABBC-UHFFFAOYSA-N 0 3 235.758 3.367 20 0 BGADHN Cc1ccc(F)cc1CN1CC2CC1(C)C2 ZINC000662384891 412135945 /nfs/dbraw/zinc/13/59/45/412135945.db2.gz AKUMZRGSPNDSGS-UHFFFAOYSA-N 0 3 219.303 3.118 20 0 BGADHN CC12CC(C1)CN2CCCCC(F)(F)F ZINC000662384967 412135958 /nfs/dbraw/zinc/13/59/58/412135958.db2.gz DGYFPGRVFWYHJX-UHFFFAOYSA-N 0 3 221.266 3.203 20 0 BGADHN Cc1cc(F)ccc1CN1CC2CC1(C)C2 ZINC000662385018 412135795 /nfs/dbraw/zinc/13/57/95/412135795.db2.gz FZSDTYKNQVDUHA-UHFFFAOYSA-N 0 3 219.303 3.118 20 0 BGADHN C[C@@H](c1nc2ccccc2o1)N1CC2CC1(C)C2 ZINC000662385104 412137493 /nfs/dbraw/zinc/13/74/93/412137493.db2.gz JCTLORBEGKMXOH-NLTNOIMHSA-N 0 3 242.322 3.373 20 0 BGADHN C[C@H](c1nc2ccccc2o1)N1CC2CC1(C)C2 ZINC000662385105 412138891 /nfs/dbraw/zinc/13/88/91/412138891.db2.gz JCTLORBEGKMXOH-RWWNRMGGSA-N 0 3 242.322 3.373 20 0 BGADHN Cc1ccc(C(=O)CCN2CC3CC2(C)C3)cc1 ZINC000662385190 412137885 /nfs/dbraw/zinc/13/78/85/412137885.db2.gz MRJNPSWFGVHSSI-UHFFFAOYSA-N 0 3 243.350 3.052 20 0 BGADHN CC12CC(C1)CN2Cc1cnc2ccccc2c1 ZINC000662385254 412138257 /nfs/dbraw/zinc/13/82/57/412138257.db2.gz PUOGXNRQCONTFL-UHFFFAOYSA-N 0 3 238.334 3.219 20 0 BGADHN Cc1ccc(F)c(CN2CC3CC2(C)C3)c1 ZINC000662385798 412137580 /nfs/dbraw/zinc/13/75/80/412137580.db2.gz GLNAAMRJPMFHJK-UHFFFAOYSA-N 0 3 219.303 3.118 20 0 BGADHN Cc1nc(C(C)C)ccc1CN1CC2CC1(C)C2 ZINC000662385967 412137240 /nfs/dbraw/zinc/13/72/40/412137240.db2.gz MWRCMRBXFHSPDQ-UHFFFAOYSA-N 0 3 244.382 3.498 20 0 BGADHN CSc1cccc(CN2CC3CC2(C)C3)c1 ZINC000662385988 409690422 /nfs/dbraw/zinc/69/04/22/409690422.db2.gz OMCHGKHPHLFXJO-UHFFFAOYSA-N 0 3 233.380 3.393 20 0 BGADHN CC[C@@H](NC)C(=O)Nc1c(C)cccc1C(C)C ZINC000662435171 412171956 /nfs/dbraw/zinc/17/19/56/412171956.db2.gz DIOWVHVONUPBTO-CYBMUJFWSA-N 0 3 248.370 3.055 20 0 BGADHN CC[C@H](NC)C(=O)Nc1c(C)cccc1C(C)C ZINC000662435172 412171454 /nfs/dbraw/zinc/17/14/54/412171454.db2.gz DIOWVHVONUPBTO-ZDUSSCGKSA-N 0 3 248.370 3.055 20 0 BGADHN CC(C)c1cccc(CNc2nccn2C)c1 ZINC000663258408 412402381 /nfs/dbraw/zinc/40/23/81/412402381.db2.gz GFVUQHPDBPZCJU-UHFFFAOYSA-N 0 3 229.327 3.156 20 0 BGADHN CC(C)c1cccc(CNCCOCC2CC2)c1 ZINC000663315388 410108350 /nfs/dbraw/zinc/10/83/50/410108350.db2.gz JJZYLABTDNYXDD-UHFFFAOYSA-N 0 3 247.382 3.326 20 0 BGADHN COCC1(NCc2cccc(C(C)C)c2)CC1 ZINC000663318715 411624078 /nfs/dbraw/zinc/62/40/78/411624078.db2.gz MKALDDSGTBINAA-UHFFFAOYSA-N 0 3 233.355 3.079 20 0 BGADHN CC(C)c1cccc(CN[C@@]2(C)CCOC2)c1 ZINC000663321114 411624341 /nfs/dbraw/zinc/62/43/41/411624341.db2.gz UWTMWIPBIQVELV-HNNXBMFYSA-N 0 3 233.355 3.079 20 0 BGADHN CC(C)c1cccc(CN[C@]2(C)CCOC2)c1 ZINC000663321115 411623682 /nfs/dbraw/zinc/62/36/82/411623682.db2.gz UWTMWIPBIQVELV-OAHLLOKOSA-N 0 3 233.355 3.079 20 0 BGADHN CC(C)OCCNCc1cccc(C(C)C)c1 ZINC000663323227 411624956 /nfs/dbraw/zinc/62/49/56/411624956.db2.gz FCCMCRZRAYVTIM-UHFFFAOYSA-N 0 3 235.371 3.325 20 0 BGADHN CC(C)c1cccc(CN[C@H](C)CF)c1 ZINC000663325741 411624901 /nfs/dbraw/zinc/62/49/01/411624901.db2.gz LFDBOPKFTNMGIC-LLVKDONJSA-N 0 3 209.308 3.258 20 0 BGADHN CC(C)c1cccc(CN[C@@H](C)CF)c1 ZINC000663325742 411625789 /nfs/dbraw/zinc/62/57/89/411625789.db2.gz LFDBOPKFTNMGIC-NSHDSACASA-N 0 3 209.308 3.258 20 0 BGADHN CC(C)c1cccc(CNCC2=CCOCC2)c1 ZINC000663325914 411625105 /nfs/dbraw/zinc/62/51/05/411625105.db2.gz MSMHFPAFLIKRAL-UHFFFAOYSA-N 0 3 245.366 3.246 20 0 BGADHN CC(C)c1cccc(CN[C@@H]2C[C@H]3CC[C@@H]2O3)c1 ZINC000663331490 411626245 /nfs/dbraw/zinc/62/62/45/411626245.db2.gz OIDCQQVGSRFEKL-OAGGEKHMSA-N 0 3 245.366 3.220 20 0 BGADHN COCC1(NCc2ccoc2C)CCCCC1 ZINC000663336855 411628022 /nfs/dbraw/zinc/62/80/22/411628022.db2.gz BUUAGHJXOHGPPJ-UHFFFAOYSA-N 0 3 237.343 3.027 20 0 BGADHN COCC1(NCc2ccc(C)o2)CCCCC1 ZINC000663336897 411628271 /nfs/dbraw/zinc/62/82/71/411628271.db2.gz DEICYFSYGXLCDR-UHFFFAOYSA-N 0 3 237.343 3.027 20 0 BGADHN COCC1(NCc2occc2C)CCCCC1 ZINC000663337427 411627943 /nfs/dbraw/zinc/62/79/43/411627943.db2.gz XIECNSCBQCKAKJ-UHFFFAOYSA-N 0 3 237.343 3.027 20 0 BGADHN CC1(C)C[C@]1(NCc1cc[nH]c1)c1ccccc1 ZINC000663338569 411629503 /nfs/dbraw/zinc/62/95/03/411629503.db2.gz UWRGTMBVTLDQRP-INIZCTEOSA-N 0 3 240.350 3.430 20 0 BGADHN CC1(C)C[C@@]1(NCc1cc[nH]c1)c1ccccc1 ZINC000663338571 411629210 /nfs/dbraw/zinc/62/92/10/411629210.db2.gz UWRGTMBVTLDQRP-MRXNPFEDSA-N 0 3 240.350 3.430 20 0 BGADHN CC(C)(CNCc1ccco1)CC(F)(F)F ZINC000663354960 411635594 /nfs/dbraw/zinc/63/55/94/411635594.db2.gz BHKITUANKWBCRX-UHFFFAOYSA-N 0 3 235.249 3.348 20 0 BGADHN CC(C)(CNCc1ccccn1)CC(F)(F)F ZINC000663355368 411634918 /nfs/dbraw/zinc/63/49/18/411634918.db2.gz OFLCOPNOLJNEMO-UHFFFAOYSA-N 0 3 246.276 3.150 20 0 BGADHN CCc1ccc(CN2CCC3(CC3)CC2)nc1 ZINC000663437603 411656964 /nfs/dbraw/zinc/65/69/64/411656964.db2.gz HHNQZXWKLXARBX-UHFFFAOYSA-N 0 3 230.355 3.020 20 0 BGADHN CCC[C@@H](NCCOCCF)c1ccsc1 ZINC000663460819 410255182 /nfs/dbraw/zinc/25/51/82/410255182.db2.gz RGKBNFGIDJDQJY-GFCCVEGCSA-N 0 3 245.363 3.165 20 0 BGADHN CCC[C@H](NCCOCCF)c1ccsc1 ZINC000663460820 410255510 /nfs/dbraw/zinc/25/55/10/410255510.db2.gz RGKBNFGIDJDQJY-LBPRGKRZSA-N 0 3 245.363 3.165 20 0 BGADHN Cc1cc([C@H](C)NCCOCCF)c(C)s1 ZINC000663462752 411664705 /nfs/dbraw/zinc/66/47/05/411664705.db2.gz GSHPTJUKNPWQQT-JTQLQIEISA-N 0 3 245.363 3.002 20 0 BGADHN Cc1cc([C@@H](C)NCCOCCF)c(C)s1 ZINC000663462753 411665614 /nfs/dbraw/zinc/66/56/14/411665614.db2.gz GSHPTJUKNPWQQT-SNVBAGLBSA-N 0 3 245.363 3.002 20 0 BGADHN Cc1ccc(CN2CC[C@@H](C(F)F)C2)cc1 ZINC000663463453 411664860 /nfs/dbraw/zinc/66/48/60/411664860.db2.gz COOVXKUNUZDPMV-GFCCVEGCSA-N 0 3 225.282 3.082 20 0 BGADHN Cc1ccc(CN2CC[C@H](C(F)F)C2)cc1 ZINC000663463454 411665254 /nfs/dbraw/zinc/66/52/54/411665254.db2.gz COOVXKUNUZDPMV-LBPRGKRZSA-N 0 3 225.282 3.082 20 0 BGADHN FC(F)[C@H]1CCN(C/C=C\c2ccccc2)C1 ZINC000663463850 411665482 /nfs/dbraw/zinc/66/54/82/411665482.db2.gz LYPGTESGKBPIFF-IRBQFCFKSA-N 0 3 237.293 3.287 20 0 BGADHN FC(F)[C@@H]1CCN(C/C=C\c2ccccc2)C1 ZINC000663463851 411665711 /nfs/dbraw/zinc/66/57/11/411665711.db2.gz LYPGTESGKBPIFF-LLPBQKLSSA-N 0 3 237.293 3.287 20 0 BGADHN FC(F)[C@H]1CCN(C/C=C/c2ccccc2)C1 ZINC000663463852 411665141 /nfs/dbraw/zinc/66/51/41/411665141.db2.gz LYPGTESGKBPIFF-LVDDQXARSA-N 0 3 237.293 3.287 20 0 BGADHN FC(F)[C@@H]1CCN(C/C=C/c2ccccc2)C1 ZINC000663463853 410261916 /nfs/dbraw/zinc/26/19/16/410261916.db2.gz LYPGTESGKBPIFF-WXJAXGNASA-N 0 3 237.293 3.287 20 0 BGADHN CCn1nccc1CN[C@H](C)c1sccc1C ZINC000663466840 411666773 /nfs/dbraw/zinc/66/67/73/411666773.db2.gz CULSSJSSNSVLEC-LLVKDONJSA-N 0 3 249.383 3.124 20 0 BGADHN CCn1nccc1CN[C@@H](C)c1sccc1C ZINC000663466973 411666745 /nfs/dbraw/zinc/66/67/45/411666745.db2.gz CULSSJSSNSVLEC-NSHDSACASA-N 0 3 249.383 3.124 20 0 BGADHN CCC(CC)CCCN(C)Cc1ccc(N)nc1 ZINC000663500759 411683782 /nfs/dbraw/zinc/68/37/82/411683782.db2.gz NJLYGSJQPPIFBJ-UHFFFAOYSA-N 0 3 249.402 3.312 20 0 BGADHN Cc1ccc2ncc(CN3CC=CCC3)cc2c1 ZINC000663693915 411724694 /nfs/dbraw/zinc/72/46/94/411724694.db2.gz PDGHDDDVXITTEG-UHFFFAOYSA-N 0 3 238.334 3.305 20 0 BGADHN CO[C@@H](COc1cc(C)nc(C)c1C)C1CCC1 ZINC000664043622 411825922 /nfs/dbraw/zinc/82/59/22/411825922.db2.gz MXJZQFRNTAAUHE-HNNXBMFYSA-N 0 3 249.354 3.201 20 0 BGADHN CO[C@H](COc1cc(C)nc(C)c1C)C1CCC1 ZINC000664043922 411826119 /nfs/dbraw/zinc/82/61/19/411826119.db2.gz MXJZQFRNTAAUHE-OAHLLOKOSA-N 0 3 249.354 3.201 20 0 BGADHN Cc1cc(OCc2cncs2)c(C)c(C)n1 ZINC000664044280 411825733 /nfs/dbraw/zinc/82/57/33/411825733.db2.gz QBQCBHWSCZCYEC-UHFFFAOYSA-N 0 3 234.324 3.042 20 0 BGADHN CCc1cc(N2C[C@@H]3CCCC[C@@H]32)ccn1 ZINC000664079601 411842733 /nfs/dbraw/zinc/84/27/33/411842733.db2.gz CCNKCBLVLBVVKL-FZMZJTMJSA-N 0 3 216.328 3.023 20 0 BGADHN C[C@@H](NCCc1cncs1)c1ccsc1 ZINC000664315716 411919912 /nfs/dbraw/zinc/91/99/12/411919912.db2.gz KGCPXPCVWOQGAM-SECBINFHSA-N 0 3 238.381 3.098 20 0 BGADHN C[C@H](NCCc1cncs1)c1ccsc1 ZINC000664315719 411920125 /nfs/dbraw/zinc/92/01/25/411920125.db2.gz KGCPXPCVWOQGAM-VIFPVBQESA-N 0 3 238.381 3.098 20 0 BGADHN CC(C)(F)CCNc1ccnc2ccccc21 ZINC000664370587 411933072 /nfs/dbraw/zinc/93/30/72/411933072.db2.gz KGRTZEAJOHARRK-UHFFFAOYSA-N 0 3 232.302 3.207 20 0 BGADHN C[C@]1(CNc2ccnc3ccccc32)CC1(F)F ZINC000664401639 410579093 /nfs/dbraw/zinc/57/90/93/410579093.db2.gz UTIAQYIVPLMMJX-CYBMUJFWSA-N 0 3 248.276 3.114 20 0 BGADHN C[C@@]1(CNc2ccnc3ccccc32)CC1(F)F ZINC000664401671 410579300 /nfs/dbraw/zinc/57/93/00/410579300.db2.gz UTIAQYIVPLMMJX-ZDUSSCGKSA-N 0 3 248.276 3.114 20 0 BGADHN CCc1cc(N2CCC[C@H](CCF)C2)ccn1 ZINC000664414372 411947992 /nfs/dbraw/zinc/94/79/92/411947992.db2.gz JCWZBDZWXIMRJP-GFCCVEGCSA-N 0 3 236.334 3.220 20 0 BGADHN CCc1cc(N2CCC[C@@H](CCF)C2)ccn1 ZINC000664414373 411947692 /nfs/dbraw/zinc/94/76/92/411947692.db2.gz JCWZBDZWXIMRJP-LBPRGKRZSA-N 0 3 236.334 3.220 20 0 BGADHN Cc1cc(N2CC[C@@H]3C[C@@H]3C2)c2ccccc2n1 ZINC000664524648 411975720 /nfs/dbraw/zinc/97/57/20/411975720.db2.gz LSYGLJKEIXXAFX-CHWSQXEVSA-N 0 3 238.334 3.389 20 0 BGADHN Cc1cc(N2CC[C@H]3C[C@H]3C2)c2ccccc2n1 ZINC000664524651 411975690 /nfs/dbraw/zinc/97/56/90/411975690.db2.gz LSYGLJKEIXXAFX-STQMWFEESA-N 0 3 238.334 3.389 20 0 BGADHN c1ccc2c(c1)nccc2N1CC[C@H]2C[C@H]2C1 ZINC000664524918 487554804 /nfs/dbraw/zinc/55/48/04/487554804.db2.gz MJLJXDFZILGDSK-RYUDHWBXSA-N 0 3 224.307 3.081 20 0 BGADHN c1ccc2c(c1)nccc2N1CC[C@@H]2C[C@@H]2C1 ZINC000664524920 487554049 /nfs/dbraw/zinc/55/40/49/487554049.db2.gz MJLJXDFZILGDSK-VXGBXAGGSA-N 0 3 224.307 3.081 20 0 BGADHN Cc1ccc2nccc(N3CC[C@@H]4C[C@@H]4C3)c2c1 ZINC000664526961 411979065 /nfs/dbraw/zinc/97/90/65/411979065.db2.gz XOBLPFLJCQYKGE-CHWSQXEVSA-N 0 3 238.334 3.389 20 0 BGADHN Cc1ccc2nccc(N3CC[C@H]4C[C@H]4C3)c2c1 ZINC000664526964 411979366 /nfs/dbraw/zinc/97/93/66/411979366.db2.gz XOBLPFLJCQYKGE-STQMWFEESA-N 0 3 238.334 3.389 20 0 BGADHN CC1(C)CN(CC2CCC2)[C@H]1c1cccnc1 ZINC000664820941 412026673 /nfs/dbraw/zinc/02/66/73/412026673.db2.gz RCWWHNJQFUSKPE-AWEZNQCLSA-N 0 3 230.355 3.265 20 0 BGADHN CC1(C)CN(CC2CCC2)[C@@H]1c1cccnc1 ZINC000664820945 412027024 /nfs/dbraw/zinc/02/70/24/412027024.db2.gz RCWWHNJQFUSKPE-CQSZACIVSA-N 0 3 230.355 3.265 20 0 BGADHN CC1(C)CN(CC2CC=CC2)[C@H]1c1cccnc1 ZINC000664822200 412027913 /nfs/dbraw/zinc/02/79/13/412027913.db2.gz VAVLRGBDUURSPZ-HNNXBMFYSA-N 0 3 242.366 3.431 20 0 BGADHN CC1(C)CN(CC2CC=CC2)[C@@H]1c1cccnc1 ZINC000664822203 412026775 /nfs/dbraw/zinc/02/67/75/412026775.db2.gz VAVLRGBDUURSPZ-OAHLLOKOSA-N 0 3 242.366 3.431 20 0 BGADHN CC1(C)CN(CCC2CC2)[C@H]1c1cccnc1 ZINC000664822599 412027100 /nfs/dbraw/zinc/02/71/00/412027100.db2.gz JHVDHYWHZVEXBE-AWEZNQCLSA-N 0 3 230.355 3.265 20 0 BGADHN CC1(C)CN(CCC2CC2)[C@@H]1c1cccnc1 ZINC000664822603 412027175 /nfs/dbraw/zinc/02/71/75/412027175.db2.gz JHVDHYWHZVEXBE-CQSZACIVSA-N 0 3 230.355 3.265 20 0 BGADHN CC1(C)CN(C2CCCC2)[C@H]1c1cccnc1 ZINC000664822822 487611354 /nfs/dbraw/zinc/61/13/54/487611354.db2.gz JWEPCRLURZENET-AWEZNQCLSA-N 0 3 230.355 3.407 20 0 BGADHN CC1(C)CN(C2CCCC2)[C@@H]1c1cccnc1 ZINC000664822826 487611334 /nfs/dbraw/zinc/61/13/34/487611334.db2.gz JWEPCRLURZENET-CQSZACIVSA-N 0 3 230.355 3.407 20 0 BGADHN CC[C@H](C)N1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664824766 412027545 /nfs/dbraw/zinc/02/75/45/412027545.db2.gz YIHZAEJJBJVLTF-AAEUAGOBSA-N 0 3 218.344 3.263 20 0 BGADHN CC[C@@H](C)N1CC(C)(C)[C@H]1c1cccnc1 ZINC000664824768 412026819 /nfs/dbraw/zinc/02/68/19/412026819.db2.gz YIHZAEJJBJVLTF-DGCLKSJQSA-N 0 3 218.344 3.263 20 0 BGADHN CC[C@H](C)N1CC(C)(C)[C@H]1c1cccnc1 ZINC000664824770 412027838 /nfs/dbraw/zinc/02/78/38/412027838.db2.gz YIHZAEJJBJVLTF-WCQYABFASA-N 0 3 218.344 3.263 20 0 BGADHN CC[C@@H](C)N1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664824773 412026286 /nfs/dbraw/zinc/02/62/86/412026286.db2.gz YIHZAEJJBJVLTF-YPMHNXCESA-N 0 3 218.344 3.263 20 0 BGADHN CCCCN1CC(C)(C)[C@H]1c1cccnc1 ZINC000664824779 412027683 /nfs/dbraw/zinc/02/76/83/412027683.db2.gz DHXQGRTXTMKWII-CYBMUJFWSA-N 0 3 218.344 3.265 20 0 BGADHN CCCCN1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664824782 412026575 /nfs/dbraw/zinc/02/65/75/412026575.db2.gz DHXQGRTXTMKWII-ZDUSSCGKSA-N 0 3 218.344 3.265 20 0 BGADHN CC[C@H](C)N1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664827886 412027750 /nfs/dbraw/zinc/02/77/50/412027750.db2.gz AJTHEDIOWZSPKH-AAEUAGOBSA-N 0 3 218.344 3.263 20 0 BGADHN CC[C@@H](C)N1CC(C)(C)[C@H]1c1ccncc1 ZINC000664827889 412027035 /nfs/dbraw/zinc/02/70/35/412027035.db2.gz AJTHEDIOWZSPKH-DGCLKSJQSA-N 0 3 218.344 3.263 20 0 BGADHN CC[C@H](C)N1CC(C)(C)[C@H]1c1ccncc1 ZINC000664827892 412026303 /nfs/dbraw/zinc/02/63/03/412026303.db2.gz AJTHEDIOWZSPKH-WCQYABFASA-N 0 3 218.344 3.263 20 0 BGADHN CC[C@@H](C)N1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664827895 412027316 /nfs/dbraw/zinc/02/73/16/412027316.db2.gz AJTHEDIOWZSPKH-YPMHNXCESA-N 0 3 218.344 3.263 20 0 BGADHN CC1(C)CN(CC2CC=CC2)[C@H]1c1ccncc1 ZINC000664829179 412028572 /nfs/dbraw/zinc/02/85/72/412028572.db2.gz LBVAXVFYEWAKCF-HNNXBMFYSA-N 0 3 242.366 3.431 20 0 BGADHN CC1(C)CN(CC2CC=CC2)[C@@H]1c1ccncc1 ZINC000664829180 412029443 /nfs/dbraw/zinc/02/94/43/412029443.db2.gz LBVAXVFYEWAKCF-OAHLLOKOSA-N 0 3 242.366 3.431 20 0 BGADHN CC1(C)CN(CC2CCC2)[C@H]1c1ccncc1 ZINC000664829195 412030032 /nfs/dbraw/zinc/03/00/32/412030032.db2.gz LKKPODYXMXTWJA-AWEZNQCLSA-N 0 3 230.355 3.265 20 0 BGADHN CC1(C)CN(CC2CCC2)[C@@H]1c1ccncc1 ZINC000664829196 412029970 /nfs/dbraw/zinc/02/99/70/412029970.db2.gz LKKPODYXMXTWJA-CQSZACIVSA-N 0 3 230.355 3.265 20 0 BGADHN CC1(C)CN(CCCCF)[C@@H]1c1ccncc1 ZINC000664830254 412030054 /nfs/dbraw/zinc/03/00/54/412030054.db2.gz UMOWOXNXRXSQMT-CYBMUJFWSA-N 0 3 236.334 3.214 20 0 BGADHN CC1(C)CN(CCCCF)[C@H]1c1ccncc1 ZINC000664830255 412029100 /nfs/dbraw/zinc/02/91/00/412029100.db2.gz UMOWOXNXRXSQMT-ZDUSSCGKSA-N 0 3 236.334 3.214 20 0 BGADHN CCCCN1CC(C)(C)[C@H]1c1ccncc1 ZINC000664833656 412029746 /nfs/dbraw/zinc/02/97/46/412029746.db2.gz MPCGWMACUUGWRD-CYBMUJFWSA-N 0 3 218.344 3.265 20 0 BGADHN CCCCN1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664833657 412029729 /nfs/dbraw/zinc/02/97/29/412029729.db2.gz MPCGWMACUUGWRD-ZDUSSCGKSA-N 0 3 218.344 3.265 20 0 BGADHN CC1(C)CN(CCC2CC2)[C@H]1c1ccncc1 ZINC000664834050 412029262 /nfs/dbraw/zinc/02/92/62/412029262.db2.gz SPRLYHCGBAMBEG-AWEZNQCLSA-N 0 3 230.355 3.265 20 0 BGADHN CC1(C)CN(CCC2CC2)[C@@H]1c1ccncc1 ZINC000664834052 412028589 /nfs/dbraw/zinc/02/85/89/412028589.db2.gz SPRLYHCGBAMBEG-CQSZACIVSA-N 0 3 230.355 3.265 20 0 BGADHN CC1(C)CN(C2CCCC2)[C@H]1c1ccncc1 ZINC000664834412 412028678 /nfs/dbraw/zinc/02/86/78/412028678.db2.gz XAMBSFYYJKCIQO-AWEZNQCLSA-N 0 3 230.355 3.407 20 0 BGADHN CC1(C)CN(C2CCCC2)[C@@H]1c1ccncc1 ZINC000664834414 412029488 /nfs/dbraw/zinc/02/94/88/412029488.db2.gz XAMBSFYYJKCIQO-CQSZACIVSA-N 0 3 230.355 3.407 20 0 BGADHN c1[nH]nc2c1CN(CC1CCCCCC1)CCC2 ZINC000664862618 412034976 /nfs/dbraw/zinc/03/49/76/412034976.db2.gz SDGJJXMAWRPJJD-UHFFFAOYSA-N 0 3 247.386 3.128 20 0 BGADHN c1[nH]nc2c1CN(CCC1CCCCC1)CCC2 ZINC000664862959 412035106 /nfs/dbraw/zinc/03/51/06/412035106.db2.gz YDKNPMSPUYCARU-UHFFFAOYSA-N 0 3 247.386 3.128 20 0 BGADHN CC(C)=CCCN1Cc2c[nH]nc2CC(C)(C)C1 ZINC000664864119 412033564 /nfs/dbraw/zinc/03/35/64/412033564.db2.gz DJKFGBIHKYWKFA-UHFFFAOYSA-N 0 3 247.386 3.150 20 0 BGADHN CC/C=C/CCN1Cc2c[nH]nc2CC(C)(C)C1 ZINC000664866982 412035811 /nfs/dbraw/zinc/03/58/11/412035811.db2.gz VFHWYUWOECVGST-AATRIKPKSA-N 0 3 247.386 3.150 20 0 BGADHN CC/C=C\CCN1Cc2c[nH]nc2CC(C)(C)C1 ZINC000664866985 412036033 /nfs/dbraw/zinc/03/60/33/412036033.db2.gz VFHWYUWOECVGST-WAYWQWQTSA-N 0 3 247.386 3.150 20 0 BGADHN Cc1cnc(-c2cccc(CN(C)C)c2)s1 ZINC000665143585 412109859 /nfs/dbraw/zinc/10/98/59/412109859.db2.gz DSWRPPZPXLBNBG-UHFFFAOYSA-N 0 3 232.352 3.180 20 0 BGADHN CCc1cnc(-c2cccc(CN(C)C)c2)s1 ZINC000665144655 412111643 /nfs/dbraw/zinc/11/16/43/412111643.db2.gz JYVHMIMPPHFSFY-UHFFFAOYSA-N 0 3 246.379 3.434 20 0 BGADHN Cc1coc(-c2ccc(OCCN(C)C)cc2)c1 ZINC000665192113 412126996 /nfs/dbraw/zinc/12/69/96/412126996.db2.gz BBTOOLBLSHGQNB-UHFFFAOYSA-N 0 3 245.322 3.195 20 0 BGADHN Cc1coc(-c2cccc(OCCN(C)C)c2)c1 ZINC000665192553 412126039 /nfs/dbraw/zinc/12/60/39/412126039.db2.gz RQDHBCCVUKXKJU-UHFFFAOYSA-N 0 3 245.322 3.195 20 0 BGADHN Cc1ccncc1-c1cc(CN(C)C)ccc1F ZINC000665195557 412128618 /nfs/dbraw/zinc/12/86/18/412128618.db2.gz HRPWLVDAHAFSEW-UHFFFAOYSA-N 0 3 244.313 3.258 20 0 BGADHN Cc1cncc(-c2cc(CN(C)C)ccc2F)c1 ZINC000665195606 412130378 /nfs/dbraw/zinc/13/03/78/412130378.db2.gz JRQGAKATCOFLGB-UHFFFAOYSA-N 0 3 244.313 3.258 20 0 BGADHN Cc1ccc(-c2cc(CN(C)C)ccc2F)cn1 ZINC000665195816 412130193 /nfs/dbraw/zinc/13/01/93/412130193.db2.gz QOEWZVHEUCPOKJ-UHFFFAOYSA-N 0 3 244.313 3.258 20 0 BGADHN Cc1cccnc1-c1cc(CN(C)C)ccc1F ZINC000665195823 412131142 /nfs/dbraw/zinc/13/11/42/412131142.db2.gz QTOISDVICKXXEZ-UHFFFAOYSA-N 0 3 244.313 3.258 20 0 BGADHN Cc1ccc(-c2cc(CN(C)C)ccc2F)nc1 ZINC000665195826 412130975 /nfs/dbraw/zinc/13/09/75/412130975.db2.gz QYDLTXSFDNBBED-UHFFFAOYSA-N 0 3 244.313 3.258 20 0 BGADHN Cc1cccc(-c2cc(CN(C)C)ccc2F)n1 ZINC000665195876 412131095 /nfs/dbraw/zinc/13/10/95/412131095.db2.gz SSISWJPUZLGPRD-UHFFFAOYSA-N 0 3 244.313 3.258 20 0 BGADHN CN(C)Cc1ccc(F)c(-c2ccsn2)c1 ZINC000665195911 412130058 /nfs/dbraw/zinc/13/00/58/412130058.db2.gz VCGNSQIPPLRJSR-UHFFFAOYSA-N 0 3 236.315 3.011 20 0 BGADHN Cc1ccnc(-c2cc(CN(C)C)ccc2F)c1 ZINC000665195935 412130474 /nfs/dbraw/zinc/13/04/74/412130474.db2.gz VWNGJQZBWYRLNN-UHFFFAOYSA-N 0 3 244.313 3.258 20 0 BGADHN Cc1cc(-c2cc(CN(C)C)ccc2F)ccn1 ZINC000665196019 412130249 /nfs/dbraw/zinc/13/02/49/412130249.db2.gz YXZUIQZWYXKHKO-UHFFFAOYSA-N 0 3 244.313 3.258 20 0 BGADHN CN(C)Cc1ccc(F)c(-c2cnsc2)c1 ZINC000665196257 412130296 /nfs/dbraw/zinc/13/02/96/412130296.db2.gz HYRNBCAXSVXULY-UHFFFAOYSA-N 0 3 236.315 3.011 20 0 BGADHN Cc1cocc1-c1ccc(OCCN(C)C)cc1 ZINC000665198699 412129886 /nfs/dbraw/zinc/12/98/86/412129886.db2.gz HXPQGZXUCBAJPU-UHFFFAOYSA-N 0 3 245.322 3.195 20 0 BGADHN Cc1cocc1-c1cccc(OCCN(C)C)c1 ZINC000665199093 412131628 /nfs/dbraw/zinc/13/16/28/412131628.db2.gz VJPYFCFSBBCVJK-UHFFFAOYSA-N 0 3 245.322 3.195 20 0 BGADHN Cc1cc(-c2cccc(OCCN(C)C)c2)co1 ZINC000665204638 412134250 /nfs/dbraw/zinc/13/42/50/412134250.db2.gz LOWZZWGGLUSXLF-UHFFFAOYSA-N 0 3 245.322 3.195 20 0 BGADHN CCOc1ccc(CN2CC(C)(C)C[C@H]2C)nc1 ZINC000665221189 412159681 /nfs/dbraw/zinc/15/96/81/412159681.db2.gz HSJPMUPXUSFEAG-GFCCVEGCSA-N 0 3 248.370 3.101 20 0 BGADHN CCOc1ccc(CN2CC(C)(C)C[C@@H]2C)nc1 ZINC000665221190 412159907 /nfs/dbraw/zinc/15/99/07/412159907.db2.gz HSJPMUPXUSFEAG-LBPRGKRZSA-N 0 3 248.370 3.101 20 0 BGADHN Cc1ccnc(CN2CC(C)(C)C[C@H]2C)c1 ZINC000665221924 412161578 /nfs/dbraw/zinc/16/15/78/412161578.db2.gz SYMXKJRIMYIFGK-GFCCVEGCSA-N 0 3 218.344 3.010 20 0 BGADHN Cc1ccnc(CN2CC(C)(C)C[C@@H]2C)c1 ZINC000665221925 412161689 /nfs/dbraw/zinc/16/16/89/412161689.db2.gz SYMXKJRIMYIFGK-LBPRGKRZSA-N 0 3 218.344 3.010 20 0 BGADHN Nc1cccc(CN[C@H]2CCCc3occc32)c1 ZINC000665232034 412170485 /nfs/dbraw/zinc/17/04/85/412170485.db2.gz DUDWVOHXVRUILS-AWEZNQCLSA-N 0 3 242.322 3.029 20 0 BGADHN Nc1cccc(CN[C@@H]2CCCc3occc32)c1 ZINC000665232035 412169813 /nfs/dbraw/zinc/16/98/13/412169813.db2.gz DUDWVOHXVRUILS-CQSZACIVSA-N 0 3 242.322 3.029 20 0 BGADHN Cc1cc([C@@H](C)NCc2cccc(N)c2)cs1 ZINC000665232391 412170589 /nfs/dbraw/zinc/17/05/89/412170589.db2.gz MEFWOIREPXLCOY-LLVKDONJSA-N 0 3 246.379 3.490 20 0 BGADHN Cc1cc([C@H](C)NCc2cccc(N)c2)cs1 ZINC000665232392 412170800 /nfs/dbraw/zinc/17/08/00/412170800.db2.gz MEFWOIREPXLCOY-NSHDSACASA-N 0 3 246.379 3.490 20 0 BGADHN Nc1cccc(CN[C@H]2CCc3ccccc32)c1 ZINC000665233891 412171904 /nfs/dbraw/zinc/17/19/04/412171904.db2.gz SDSBCJYPYQDKJJ-INIZCTEOSA-N 0 3 238.334 3.046 20 0 BGADHN Nc1cccc(CN[C@@H]2CCc3ccccc32)c1 ZINC000665233892 412172824 /nfs/dbraw/zinc/17/28/24/412172824.db2.gz SDSBCJYPYQDKJJ-MRXNPFEDSA-N 0 3 238.334 3.046 20 0 BGADHN Cc1ccsc1[C@@H](C)NCc1cccc(N)c1 ZINC000665234059 412171379 /nfs/dbraw/zinc/17/13/79/412171379.db2.gz WFDXRYWTIIUTIQ-LLVKDONJSA-N 0 3 246.379 3.490 20 0 BGADHN Cc1ccsc1[C@H](C)NCc1cccc(N)c1 ZINC000665234060 412171570 /nfs/dbraw/zinc/17/15/70/412171570.db2.gz WFDXRYWTIIUTIQ-NSHDSACASA-N 0 3 246.379 3.490 20 0 BGADHN CCN(Cc1oc(C)nc1C)C1CC(C)(C)C1 ZINC000665249849 412195583 /nfs/dbraw/zinc/19/55/83/412195583.db2.gz IKAZBTOIKWMPAK-UHFFFAOYSA-N 0 3 236.359 3.302 20 0 BGADHN CCN(Cc1cc(C)ccn1)C1CC(C)(C)C1 ZINC000665249860 412195431 /nfs/dbraw/zinc/19/54/31/412195431.db2.gz STACNZUTIZJANH-UHFFFAOYSA-N 0 3 232.371 3.401 20 0 BGADHN C[C@@H](N[C@H]1CCc2cc(N)ccc21)c1ccoc1 ZINC000665267798 412212055 /nfs/dbraw/zinc/21/20/55/412212055.db2.gz CFUOXEVCKYLKCT-BMIGLBTASA-N 0 3 242.322 3.200 20 0 BGADHN C[C@H](N[C@H]1CCc2cc(N)ccc21)c1ccoc1 ZINC000665267799 412211784 /nfs/dbraw/zinc/21/17/84/412211784.db2.gz CFUOXEVCKYLKCT-BONVTDFDSA-N 0 3 242.322 3.200 20 0 BGADHN C[C@@H](N[C@@H]1CCc2cc(N)ccc21)c1ccoc1 ZINC000665267800 412212673 /nfs/dbraw/zinc/21/26/73/412212673.db2.gz CFUOXEVCKYLKCT-MEBBXXQBSA-N 0 3 242.322 3.200 20 0 BGADHN C[C@H](N[C@@H]1CCc2cc(N)ccc21)c1ccoc1 ZINC000665267801 412212709 /nfs/dbraw/zinc/21/27/09/412212709.db2.gz CFUOXEVCKYLKCT-ZUZCIYMTSA-N 0 3 242.322 3.200 20 0 BGADHN Cc1csc(CN2CC[C@@H](C3CCC3)C2)n1 ZINC000665286553 412234484 /nfs/dbraw/zinc/23/44/84/412234484.db2.gz ORBAXMKBKQFQLR-GFCCVEGCSA-N 0 3 236.384 3.074 20 0 BGADHN Cc1csc(CN2CC[C@H](C3CCC3)C2)n1 ZINC000665286554 412233950 /nfs/dbraw/zinc/23/39/50/412233950.db2.gz ORBAXMKBKQFQLR-LBPRGKRZSA-N 0 3 236.384 3.074 20 0 BGADHN Cc1ncc(CN2CC[C@@H](C3CCC3)C2)s1 ZINC000665286869 412233550 /nfs/dbraw/zinc/23/35/50/412233550.db2.gz WBVVQVUEDKCFMR-GFCCVEGCSA-N 0 3 236.384 3.074 20 0 BGADHN Cc1ncc(CN2CC[C@H](C3CCC3)C2)s1 ZINC000665286870 412233463 /nfs/dbraw/zinc/23/34/63/412233463.db2.gz WBVVQVUEDKCFMR-LBPRGKRZSA-N 0 3 236.384 3.074 20 0 BGADHN Cc1cnc([C@H](C)N2CC[C@H](C3CCC3)C2)o1 ZINC000665288147 412233381 /nfs/dbraw/zinc/23/33/81/412233381.db2.gz FLKAKSLZXSBGCG-AAEUAGOBSA-N 0 3 234.343 3.166 20 0 BGADHN Cc1cnc([C@@H](C)N2CC[C@@H](C3CCC3)C2)o1 ZINC000665288148 412234180 /nfs/dbraw/zinc/23/41/80/412234180.db2.gz FLKAKSLZXSBGCG-DGCLKSJQSA-N 0 3 234.343 3.166 20 0 BGADHN Cc1cnc([C@H](C)N2CC[C@@H](C3CCC3)C2)o1 ZINC000665288149 412233224 /nfs/dbraw/zinc/23/32/24/412233224.db2.gz FLKAKSLZXSBGCG-WCQYABFASA-N 0 3 234.343 3.166 20 0 BGADHN Cc1cnc([C@@H](C)N2CC[C@H](C3CCC3)C2)o1 ZINC000665288150 412233314 /nfs/dbraw/zinc/23/33/14/412233314.db2.gz FLKAKSLZXSBGCG-YPMHNXCESA-N 0 3 234.343 3.166 20 0 BGADHN Cc1cnc(CN2CC[C@@H](C3CCC3)C2)s1 ZINC000665288617 412233332 /nfs/dbraw/zinc/23/33/32/412233332.db2.gz SPAPCDKHFRVABJ-GFCCVEGCSA-N 0 3 236.384 3.074 20 0 BGADHN Cc1cnc(CN2CC[C@H](C3CCC3)C2)s1 ZINC000665288618 412234104 /nfs/dbraw/zinc/23/41/04/412234104.db2.gz SPAPCDKHFRVABJ-LBPRGKRZSA-N 0 3 236.384 3.074 20 0 BGADHN CC(C)n1nccc1CN1CC[C@H](C2CCC2)C1 ZINC000665290176 412236425 /nfs/dbraw/zinc/23/64/25/412236425.db2.gz NJYGRTANTDPELR-AWEZNQCLSA-N 0 3 247.386 3.086 20 0 BGADHN CC(C)n1nccc1CN1CC[C@@H](C2CCC2)C1 ZINC000665290177 412235714 /nfs/dbraw/zinc/23/57/14/412235714.db2.gz NJYGRTANTDPELR-CQSZACIVSA-N 0 3 247.386 3.086 20 0 BGADHN CCc1nc(C)c(CN2CC[C@@H](C3CCC3)C2)o1 ZINC000665290214 412235812 /nfs/dbraw/zinc/23/58/12/412235812.db2.gz ONNGRXDDDNZBFA-CYBMUJFWSA-N 0 3 248.370 3.167 20 0 BGADHN CCc1nc(C)c(CN2CC[C@H](C3CCC3)C2)o1 ZINC000665290215 412235198 /nfs/dbraw/zinc/23/51/98/412235198.db2.gz ONNGRXDDDNZBFA-ZDUSSCGKSA-N 0 3 248.370 3.167 20 0 BGADHN CCc1cc(N2CC[C@@H](C3CCC3)C2)ccn1 ZINC000665755204 487764642 /nfs/dbraw/zinc/76/46/42/487764642.db2.gz COCBSLBVIPPOOD-CYBMUJFWSA-N 0 3 230.355 3.270 20 0 BGADHN CCc1cc(N2CC[C@H](C3CCC3)C2)ccn1 ZINC000665755205 487764840 /nfs/dbraw/zinc/76/48/40/487764840.db2.gz COCBSLBVIPPOOD-ZDUSSCGKSA-N 0 3 230.355 3.270 20 0 BGADHN CC[C@H](NCc1cc(C(C)C)no1)[C@H]1C[C@@H]1C ZINC000666090855 488164269 /nfs/dbraw/zinc/16/42/69/488164269.db2.gz JYHXERUSEMPDDQ-DRZSPHRISA-N 0 3 236.359 3.322 20 0 BGADHN CC[C@H](NCc1cc(C(C)C)no1)[C@@H]1C[C@H]1C ZINC000666090856 488164419 /nfs/dbraw/zinc/16/44/19/488164419.db2.gz JYHXERUSEMPDDQ-RTXFEEFZSA-N 0 3 236.359 3.322 20 0 BGADHN CC[C@H](NCc1cc(C(C)C)no1)[C@@H]1C[C@@H]1C ZINC000666090857 488164791 /nfs/dbraw/zinc/16/47/91/488164791.db2.gz JYHXERUSEMPDDQ-UHTWSYAYSA-N 0 3 236.359 3.322 20 0 BGADHN CC[C@H](NCc1cc(C(C)C)no1)[C@H]1C[C@H]1C ZINC000666090858 488164245 /nfs/dbraw/zinc/16/42/45/488164245.db2.gz JYHXERUSEMPDDQ-WXHSDQCUSA-N 0 3 236.359 3.322 20 0 BGADHN C[C@H](N[C@H]1CCCCC[C@H]1C)c1ccn(C)n1 ZINC000666094242 488175175 /nfs/dbraw/zinc/17/51/75/488175175.db2.gz QGHDQJBHAYZPNL-AGIUHOORSA-N 0 3 235.375 3.040 20 0 BGADHN C[C@H](N[C@H]1CCCCC[C@@H]1C)c1ccn(C)n1 ZINC000666094243 488175272 /nfs/dbraw/zinc/17/52/72/488175272.db2.gz QGHDQJBHAYZPNL-AVGNSLFASA-N 0 3 235.375 3.040 20 0 BGADHN C[C@H](N[C@@H]1CCCCC[C@H]1C)c1ccn(C)n1 ZINC000666094244 488175240 /nfs/dbraw/zinc/17/52/40/488175240.db2.gz QGHDQJBHAYZPNL-FRRDWIJNSA-N 0 3 235.375 3.040 20 0 BGADHN C[C@H](N[C@@H]1CCCCC[C@@H]1C)c1ccn(C)n1 ZINC000666094245 488175168 /nfs/dbraw/zinc/17/51/68/488175168.db2.gz QGHDQJBHAYZPNL-RWMBFGLXSA-N 0 3 235.375 3.040 20 0 BGADHN CC(C)C(N[C@H](C)c1cc2n(n1)CCC2)C(C)C ZINC000666111564 487487363 /nfs/dbraw/zinc/48/73/63/487487363.db2.gz SVDKIUWCIFPCPB-GFCCVEGCSA-N 0 3 249.402 3.161 20 0 BGADHN CC(C)C(N[C@@H](C)c1cc2n(n1)CCC2)C(C)C ZINC000666111565 487487708 /nfs/dbraw/zinc/48/77/08/487487708.db2.gz SVDKIUWCIFPCPB-LBPRGKRZSA-N 0 3 249.402 3.161 20 0 BGADHN C[C@H](NCc1ccc(Cl)o1)[C@@H]1C[C@H]1C ZINC000666116974 487499177 /nfs/dbraw/zinc/49/91/77/487499177.db2.gz MELHHKPNXHPBCJ-KHQFGBGNSA-N 0 3 213.708 3.067 20 0 BGADHN C[C@@H](NCc1ccc(Cl)o1)[C@H]1C[C@H]1C ZINC000666116982 487499524 /nfs/dbraw/zinc/49/95/24/487499524.db2.gz MELHHKPNXHPBCJ-MRTMQBJTSA-N 0 3 213.708 3.067 20 0 BGADHN C[C@@H](NCc1ccc(Cl)o1)[C@@H]1C[C@H]1C ZINC000666116984 487499291 /nfs/dbraw/zinc/49/92/91/487499291.db2.gz MELHHKPNXHPBCJ-NQMVMOMDSA-N 0 3 213.708 3.067 20 0 BGADHN C[C@H](NCc1ccc(Cl)o1)[C@H]1C[C@H]1C ZINC000666116985 487499223 /nfs/dbraw/zinc/49/92/23/487499223.db2.gz MELHHKPNXHPBCJ-WEDXCCLWSA-N 0 3 213.708 3.067 20 0 BGADHN CC[C@H](NCc1ccc(Cl)o1)[C@@H]1C[C@@H]1C ZINC000666117016 487499096 /nfs/dbraw/zinc/49/90/96/487499096.db2.gz OFJHUVGEZXXZQJ-GDPRMGEGSA-N 0 3 227.735 3.457 20 0 BGADHN CC[C@H](NCc1ccc(Cl)o1)[C@@H]1C[C@H]1C ZINC000666117017 487499202 /nfs/dbraw/zinc/49/92/02/487499202.db2.gz OFJHUVGEZXXZQJ-IEBDPFPHSA-N 0 3 227.735 3.457 20 0 BGADHN CC[C@H](NCc1ccc(Cl)o1)[C@H]1C[C@@H]1C ZINC000666117018 487499467 /nfs/dbraw/zinc/49/94/67/487499467.db2.gz OFJHUVGEZXXZQJ-LSJOCFKGSA-N 0 3 227.735 3.457 20 0 BGADHN CC[C@H](NCc1ccc(Cl)o1)[C@H]1C[C@H]1C ZINC000666117019 487499386 /nfs/dbraw/zinc/49/93/86/487499386.db2.gz OFJHUVGEZXXZQJ-MIMYLULJSA-N 0 3 227.735 3.457 20 0 BGADHN C[C@H](N[C@@H](C)[C@@H]1CC1(F)F)c1ccsc1 ZINC000666227886 487654556 /nfs/dbraw/zinc/65/45/56/487654556.db2.gz QSMYTXGCLFCSIA-NRPADANISA-N 0 3 231.311 3.442 20 0 BGADHN C[C@H](N[C@@H](C)[C@H]1CC1(F)F)c1ccsc1 ZINC000666227888 487654587 /nfs/dbraw/zinc/65/45/87/487654587.db2.gz QSMYTXGCLFCSIA-OYNCUSHFSA-N 0 3 231.311 3.442 20 0 BGADHN C[C@@H](N[C@@H](C)c1ccsc1)[C@H]1CC1(F)F ZINC000666227890 487654638 /nfs/dbraw/zinc/65/46/38/487654638.db2.gz QSMYTXGCLFCSIA-QXFUBDJGSA-N 0 3 231.311 3.442 20 0 BGADHN C[C@@H](N[C@@H](C)c1ccsc1)[C@@H]1CC1(F)F ZINC000666227892 487654672 /nfs/dbraw/zinc/65/46/72/487654672.db2.gz QSMYTXGCLFCSIA-XKSSXDPKSA-N 0 3 231.311 3.442 20 0 BGADHN Cc1ncc([C@H](C)N[C@@H](C)[C@H]2CC2(F)F)s1 ZINC000666229250 487764266 /nfs/dbraw/zinc/76/42/66/487764266.db2.gz DSYXOURJHIZGCA-ACLDMZEESA-N 0 3 246.326 3.146 20 0 BGADHN Cc1ncc([C@H](C)N[C@H](C)[C@H]2CC2(F)F)s1 ZINC000666229251 487764784 /nfs/dbraw/zinc/76/47/84/487764784.db2.gz DSYXOURJHIZGCA-BKPPORCPSA-N 0 3 246.326 3.146 20 0 BGADHN Cc1ncc([C@H](C)N[C@H](C)[C@@H]2CC2(F)F)s1 ZINC000666229252 487764510 /nfs/dbraw/zinc/76/45/10/487764510.db2.gz DSYXOURJHIZGCA-FJXKBIBVSA-N 0 3 246.326 3.146 20 0 BGADHN Cc1ncc([C@H](C)N[C@@H](C)[C@@H]2CC2(F)F)s1 ZINC000666229253 487764639 /nfs/dbraw/zinc/76/46/39/487764639.db2.gz DSYXOURJHIZGCA-ZKWXMUAHSA-N 0 3 246.326 3.146 20 0 BGADHN Cc1ccncc1[C@H](C)N[C@H](C)[C@H]1CC1(F)F ZINC000666229266 487764710 /nfs/dbraw/zinc/76/47/10/487764710.db2.gz FJGZYYCQQSVJJY-HOSYDEDBSA-N 0 3 240.297 3.084 20 0 BGADHN Cc1ccncc1[C@H](C)N[C@@H](C)[C@H]1CC1(F)F ZINC000666229267 487764296 /nfs/dbraw/zinc/76/42/96/487764296.db2.gz FJGZYYCQQSVJJY-JBLDHEPKSA-N 0 3 240.297 3.084 20 0 BGADHN Cc1ccncc1[C@H](C)N[C@@H](C)[C@@H]1CC1(F)F ZINC000666229268 487764824 /nfs/dbraw/zinc/76/48/24/487764824.db2.gz FJGZYYCQQSVJJY-NHCYSSNCSA-N 0 3 240.297 3.084 20 0 BGADHN Cc1ccncc1[C@H](C)N[C@H](C)[C@@H]1CC1(F)F ZINC000666229269 487764598 /nfs/dbraw/zinc/76/45/98/487764598.db2.gz FJGZYYCQQSVJJY-UMNHJUIQSA-N 0 3 240.297 3.084 20 0 BGADHN CC[C@H](N[C@@H](C)[C@@H]1CC1(F)F)c1ccncc1 ZINC000666229425 487701480 /nfs/dbraw/zinc/70/14/80/487701480.db2.gz LRQMMOQPFHZQLO-DLOVCJGASA-N 0 3 240.297 3.166 20 0 BGADHN CC[C@H](N[C@H](C)[C@H]1CC1(F)F)c1ccncc1 ZINC000666229426 487701154 /nfs/dbraw/zinc/70/11/54/487701154.db2.gz LRQMMOQPFHZQLO-JLLWLGSASA-N 0 3 240.297 3.166 20 0 BGADHN CC[C@H](N[C@H](C)[C@@H]1CC1(F)F)c1ccncc1 ZINC000666229427 487701464 /nfs/dbraw/zinc/70/14/64/487701464.db2.gz LRQMMOQPFHZQLO-USWWRNFRSA-N 0 3 240.297 3.166 20 0 BGADHN CC[C@H](N[C@@H](C)[C@H]1CC1(F)F)c1ccncc1 ZINC000666229428 487701436 /nfs/dbraw/zinc/70/14/36/487701436.db2.gz LRQMMOQPFHZQLO-WCQGTBRESA-N 0 3 240.297 3.166 20 0 BGADHN Cc1cc(CNC[C@@H](C)C2CCCCC2)nn1C ZINC000666236876 487819857 /nfs/dbraw/zinc/81/98/57/487819857.db2.gz DSKHHGHKCREHSJ-GFCCVEGCSA-N 0 3 249.402 3.035 20 0 BGADHN Cc1cc(CNC[C@H](C)C2CCCCC2)nn1C ZINC000666236877 487819748 /nfs/dbraw/zinc/81/97/48/487819748.db2.gz DSKHHGHKCREHSJ-LBPRGKRZSA-N 0 3 249.402 3.035 20 0 BGADHN Cc1ncc([C@@H](C)N[C@@H]2C[C@H]2c2ccco2)s1 ZINC000666267412 487594557 /nfs/dbraw/zinc/59/45/57/487594557.db2.gz OYFJGHHXYKJEQX-FBIMIBRVSA-N 0 3 248.351 3.251 20 0 BGADHN Cc1ncc([C@H](C)N[C@@H]2C[C@H]2c2ccco2)s1 ZINC000666267413 487594568 /nfs/dbraw/zinc/59/45/68/487594568.db2.gz OYFJGHHXYKJEQX-JMJZKYOTSA-N 0 3 248.351 3.251 20 0 BGADHN Cc1occc1CN1CC[C@@H](c2ccco2)C1 ZINC000666310159 487783555 /nfs/dbraw/zinc/78/35/55/487783555.db2.gz FTIAYOKQWQAJKW-CYBMUJFWSA-N 0 3 231.295 3.171 20 0 BGADHN Cc1occc1CN1CC[C@H](c2ccco2)C1 ZINC000666310160 487783019 /nfs/dbraw/zinc/78/30/19/487783019.db2.gz FTIAYOKQWQAJKW-ZDUSSCGKSA-N 0 3 231.295 3.171 20 0 BGADHN Cc1occc1CNC(C)(C)CC(F)(F)F ZINC000666357626 487794260 /nfs/dbraw/zinc/79/42/60/487794260.db2.gz PIQGQRFNZIXPBZ-UHFFFAOYSA-N 0 3 235.249 3.409 20 0 BGADHN Cc1occc1CN1CCC2(CCC2)CC1 ZINC000666371454 487795045 /nfs/dbraw/zinc/79/50/45/487795045.db2.gz IGWFXCNPXQCHFG-UHFFFAOYSA-N 0 3 219.328 3.354 20 0 BGADHN C[C@@H](CF)N[C@@H]1CCc2cccc(Cl)c2C1 ZINC000666376448 487793447 /nfs/dbraw/zinc/79/34/47/487793447.db2.gz RMEUVGLGKAIDQI-GXSJLCMTSA-N 0 3 241.737 3.145 20 0 BGADHN C[C@H](CF)N[C@H]1CCc2cccc(Cl)c2C1 ZINC000666376449 487792806 /nfs/dbraw/zinc/79/28/06/487792806.db2.gz RMEUVGLGKAIDQI-KOLCDFICSA-N 0 3 241.737 3.145 20 0 BGADHN C[C@H](CF)N[C@@H]1CCc2cccc(Cl)c2C1 ZINC000666376450 487793474 /nfs/dbraw/zinc/79/34/74/487793474.db2.gz RMEUVGLGKAIDQI-MWLCHTKSSA-N 0 3 241.737 3.145 20 0 BGADHN C[C@@H](CF)N[C@H]1CCc2cccc(Cl)c2C1 ZINC000666376451 487793141 /nfs/dbraw/zinc/79/31/41/487793141.db2.gz RMEUVGLGKAIDQI-ONGXEEELSA-N 0 3 241.737 3.145 20 0 BGADHN Cc1occc1CN1CCC(C2CC2)CC1 ZINC000666379959 487795562 /nfs/dbraw/zinc/79/55/62/487795562.db2.gz ZYNVPIWVYSGXMW-UHFFFAOYSA-N 0 3 219.328 3.210 20 0 BGADHN Cc1occc1CN1CC(Cc2ccccc2)C1 ZINC000666391268 487795607 /nfs/dbraw/zinc/79/56/07/487795607.db2.gz UXFCTHWUTCPBGA-UHFFFAOYSA-N 0 3 241.334 3.263 20 0 BGADHN c1csc(CNC[C@H]2CCC[C@H]2C2CC2)n1 ZINC000666407138 487801387 /nfs/dbraw/zinc/80/13/87/487801387.db2.gz BRYNXUSRSYCTQP-NEPJUHHUSA-N 0 3 236.384 3.059 20 0 BGADHN c1csc(CNC[C@@H]2CCC[C@@H]2C2CC2)n1 ZINC000666407139 487801274 /nfs/dbraw/zinc/80/12/74/487801274.db2.gz BRYNXUSRSYCTQP-NWDGAFQWSA-N 0 3 236.384 3.059 20 0 BGADHN c1csc(CNC[C@@H]2CCC[C@H]2C2CC2)n1 ZINC000666407140 487801093 /nfs/dbraw/zinc/80/10/93/487801093.db2.gz BRYNXUSRSYCTQP-RYUDHWBXSA-N 0 3 236.384 3.059 20 0 BGADHN c1csc(CNC[C@H]2CCC[C@@H]2C2CC2)n1 ZINC000666407141 487800957 /nfs/dbraw/zinc/80/09/57/487800957.db2.gz BRYNXUSRSYCTQP-VXGBXAGGSA-N 0 3 236.384 3.059 20 0 BGADHN COCC[C@@H](C)CNCc1cscc1Cl ZINC000666409520 487802129 /nfs/dbraw/zinc/80/21/29/487802129.db2.gz JPKSRJZSTCWTHM-SECBINFHSA-N 0 3 247.791 3.164 20 0 BGADHN COCC[C@H](C)CNCc1cscc1Cl ZINC000666409521 487802057 /nfs/dbraw/zinc/80/20/57/487802057.db2.gz JPKSRJZSTCWTHM-VIFPVBQESA-N 0 3 247.791 3.164 20 0 BGADHN Cc1ccc(CNC2CSC2)c2ccccc12 ZINC000666410661 487803410 /nfs/dbraw/zinc/80/34/10/487803410.db2.gz SXFJQYWLRLFEKY-UHFFFAOYSA-N 0 3 243.375 3.353 20 0 BGADHN C[C@@H]1C[C@H](NCc2cscc2Cl)CS1 ZINC000666418058 487803039 /nfs/dbraw/zinc/80/30/39/487803039.db2.gz BKIDPVMNWANOJT-APPZFPTMSA-N 0 3 247.816 3.385 20 0 BGADHN C[C@H]1C[C@H](NCc2cscc2Cl)CS1 ZINC000666418060 487803003 /nfs/dbraw/zinc/80/30/03/487803003.db2.gz BKIDPVMNWANOJT-CBAPKCEASA-N 0 3 247.816 3.385 20 0 BGADHN C[C@H]1C[C@@H](NCc2cscc2Cl)CS1 ZINC000666418061 487803242 /nfs/dbraw/zinc/80/32/42/487803242.db2.gz BKIDPVMNWANOJT-IONNQARKSA-N 0 3 247.816 3.385 20 0 BGADHN C[C@@H]1C[C@@H](NCc2cscc2Cl)CS1 ZINC000666418062 487803274 /nfs/dbraw/zinc/80/32/74/487803274.db2.gz BKIDPVMNWANOJT-VXNVDRBHSA-N 0 3 247.816 3.385 20 0 BGADHN C[C@@H](NCc1cccc(F)c1F)[C@@H]1CC1(F)F ZINC000666444329 487810566 /nfs/dbraw/zinc/81/05/66/487810566.db2.gz DQLHMSLRZVJEQV-APPZFPTMSA-N 0 3 247.235 3.098 20 0 BGADHN C[C@H](NCc1cccc(F)c1F)[C@@H]1CC1(F)F ZINC000666444334 487810841 /nfs/dbraw/zinc/81/08/41/487810841.db2.gz DQLHMSLRZVJEQV-CBAPKCEASA-N 0 3 247.235 3.098 20 0 BGADHN C[C@H](NCc1cccc(F)c1F)[C@H]1CC1(F)F ZINC000666444335 487810141 /nfs/dbraw/zinc/81/01/41/487810141.db2.gz DQLHMSLRZVJEQV-IONNQARKSA-N 0 3 247.235 3.098 20 0 BGADHN C[C@@H](NCc1cccc(F)c1F)[C@H]1CC1(F)F ZINC000666444336 487810574 /nfs/dbraw/zinc/81/05/74/487810574.db2.gz DQLHMSLRZVJEQV-VXNVDRBHSA-N 0 3 247.235 3.098 20 0 BGADHN Cc1cc(CN[C@@H](C)[C@H]2CC2(F)F)ccc1F ZINC000666444454 491088521 /nfs/dbraw/zinc/08/85/21/491088521.db2.gz GEVOILVWIDYNAX-GXSJLCMTSA-N 0 3 243.272 3.267 20 0 BGADHN Cc1cc(CN[C@H](C)[C@@H]2CC2(F)F)ccc1F ZINC000666444456 491088509 /nfs/dbraw/zinc/08/85/09/491088509.db2.gz GEVOILVWIDYNAX-KOLCDFICSA-N 0 3 243.272 3.267 20 0 BGADHN Cc1cc(CN[C@H](C)[C@H]2CC2(F)F)ccc1F ZINC000666444457 491088523 /nfs/dbraw/zinc/08/85/23/491088523.db2.gz GEVOILVWIDYNAX-MWLCHTKSSA-N 0 3 243.272 3.267 20 0 BGADHN Cc1cc(CN[C@@H](C)[C@@H]2CC2(F)F)ccc1F ZINC000666444458 491088505 /nfs/dbraw/zinc/08/85/05/491088505.db2.gz GEVOILVWIDYNAX-ONGXEEELSA-N 0 3 243.272 3.267 20 0 BGADHN C[C@@H](NCc1ccccc1Cl)[C@H]1CC1(F)F ZINC000666444637 487810524 /nfs/dbraw/zinc/81/05/24/487810524.db2.gz IWEROELZEDNGOM-PSASIEDQSA-N 0 3 245.700 3.473 20 0 BGADHN C[C@@H](NCc1ccccc1Cl)[C@@H]1CC1(F)F ZINC000666444638 487810792 /nfs/dbraw/zinc/81/07/92/487810792.db2.gz IWEROELZEDNGOM-SCZZXKLOSA-N 0 3 245.700 3.473 20 0 BGADHN C[C@H](NCc1ccccc1Cl)[C@H]1CC1(F)F ZINC000666444639 487810284 /nfs/dbraw/zinc/81/02/84/487810284.db2.gz IWEROELZEDNGOM-WCBMZHEXSA-N 0 3 245.700 3.473 20 0 BGADHN C[C@H](NCc1ccccc1Cl)[C@@H]1CC1(F)F ZINC000666444640 487810240 /nfs/dbraw/zinc/81/02/40/487810240.db2.gz IWEROELZEDNGOM-WPRPVWTQSA-N 0 3 245.700 3.473 20 0 BGADHN C[C@H](NCc1ccc(Cl)cc1)[C@H]1CC1(F)F ZINC000666444952 488011863 /nfs/dbraw/zinc/01/18/63/488011863.db2.gz MOSQVPVFZDONHM-GZMMTYOYSA-N 0 3 245.700 3.473 20 0 BGADHN C[C@@H](NCc1ccc(Cl)cc1)[C@@H]1CC1(F)F ZINC000666444953 488011413 /nfs/dbraw/zinc/01/14/13/488011413.db2.gz MOSQVPVFZDONHM-KCJUWKMLSA-N 0 3 245.700 3.473 20 0 BGADHN C[C@H](NCc1ccc(Cl)cc1)[C@@H]1CC1(F)F ZINC000666444954 488011683 /nfs/dbraw/zinc/01/16/83/488011683.db2.gz MOSQVPVFZDONHM-KWQFWETISA-N 0 3 245.700 3.473 20 0 BGADHN C[C@@H](NCc1ccc(Cl)cc1)[C@H]1CC1(F)F ZINC000666444955 488011525 /nfs/dbraw/zinc/01/15/25/488011525.db2.gz MOSQVPVFZDONHM-LDYMZIIASA-N 0 3 245.700 3.473 20 0 BGADHN C[C@H](NCc1cccc(Cl)c1)[C@H]1CC1(F)F ZINC000666444984 487802182 /nfs/dbraw/zinc/80/21/82/487802182.db2.gz NCFIBRLFVUJFRG-GZMMTYOYSA-N 0 3 245.700 3.473 20 0 BGADHN C[C@@H](NCc1cccc(Cl)c1)[C@@H]1CC1(F)F ZINC000666444985 487802168 /nfs/dbraw/zinc/80/21/68/487802168.db2.gz NCFIBRLFVUJFRG-KCJUWKMLSA-N 0 3 245.700 3.473 20 0 BGADHN C[C@H](NCc1cccc(Cl)c1)[C@@H]1CC1(F)F ZINC000666444986 487802253 /nfs/dbraw/zinc/80/22/53/487802253.db2.gz NCFIBRLFVUJFRG-KWQFWETISA-N 0 3 245.700 3.473 20 0 BGADHN C[C@@H](NCc1cccc(Cl)c1)[C@H]1CC1(F)F ZINC000666444987 487802279 /nfs/dbraw/zinc/80/22/79/487802279.db2.gz NCFIBRLFVUJFRG-LDYMZIIASA-N 0 3 245.700 3.473 20 0 BGADHN C[C@@H](NCc1ccc(Cl)o1)[C@H]1CC1(F)F ZINC000666445328 488013246 /nfs/dbraw/zinc/01/32/46/488013246.db2.gz RWOWUWAMULIHLS-HTRCEHHLSA-N 0 3 235.661 3.066 20 0 BGADHN C[C@H](NCc1ccc(Cl)o1)[C@H]1CC1(F)F ZINC000666445335 488012931 /nfs/dbraw/zinc/01/29/31/488012931.db2.gz RWOWUWAMULIHLS-POYBYMJQSA-N 0 3 235.661 3.066 20 0 BGADHN C[C@@H](NCc1ccc(Cl)o1)[C@@H]1CC1(F)F ZINC000666445339 488012752 /nfs/dbraw/zinc/01/27/52/488012752.db2.gz RWOWUWAMULIHLS-SVRRBLITSA-N 0 3 235.661 3.066 20 0 BGADHN C[C@H](NCc1ccc(Cl)o1)[C@@H]1CC1(F)F ZINC000666445340 488013142 /nfs/dbraw/zinc/01/31/42/488013142.db2.gz RWOWUWAMULIHLS-XPUUQOCRSA-N 0 3 235.661 3.066 20 0 BGADHN C[C@@H](NCc1ccc(F)cc1F)[C@H]1CC1(F)F ZINC000666445422 488012246 /nfs/dbraw/zinc/01/22/46/488012246.db2.gz TZHBVYZZVZZMTL-GMSGAONNSA-N 0 3 247.235 3.098 20 0 BGADHN C[C@H](NCc1ccc(F)cc1F)[C@H]1CC1(F)F ZINC000666445423 488011541 /nfs/dbraw/zinc/01/15/41/488011541.db2.gz TZHBVYZZVZZMTL-OIBJUYFYSA-N 0 3 247.235 3.098 20 0 BGADHN C[C@@H](NCc1ccc(F)cc1F)[C@@H]1CC1(F)F ZINC000666445424 488011387 /nfs/dbraw/zinc/01/13/87/488011387.db2.gz TZHBVYZZVZZMTL-XCBNKYQSSA-N 0 3 247.235 3.098 20 0 BGADHN C[C@H](NCc1ccc(F)cc1F)[C@@H]1CC1(F)F ZINC000666445425 488011453 /nfs/dbraw/zinc/01/14/53/488011453.db2.gz TZHBVYZZVZZMTL-XVKPBYJWSA-N 0 3 247.235 3.098 20 0 BGADHN C[C@@H](NCc1cc(F)ccc1F)[C@H]1CC1(F)F ZINC000666445462 487811164 /nfs/dbraw/zinc/81/11/64/487811164.db2.gz UJZSROZEVBRKTA-GMSGAONNSA-N 0 3 247.235 3.098 20 0 BGADHN C[C@H](NCc1cc(F)ccc1F)[C@H]1CC1(F)F ZINC000666445464 487811125 /nfs/dbraw/zinc/81/11/25/487811125.db2.gz UJZSROZEVBRKTA-OIBJUYFYSA-N 0 3 247.235 3.098 20 0 BGADHN C[C@@H](NCc1cc(F)ccc1F)[C@@H]1CC1(F)F ZINC000666445465 487811196 /nfs/dbraw/zinc/81/11/96/487811196.db2.gz UJZSROZEVBRKTA-XCBNKYQSSA-N 0 3 247.235 3.098 20 0 BGADHN C[C@H](NCc1cc(F)ccc1F)[C@@H]1CC1(F)F ZINC000666445467 487811401 /nfs/dbraw/zinc/81/14/01/487811401.db2.gz UJZSROZEVBRKTA-XVKPBYJWSA-N 0 3 247.235 3.098 20 0 BGADHN C[C@@H](NCc1ccc(F)c(F)c1)[C@@H]1CC1(F)F ZINC000666445894 488013859 /nfs/dbraw/zinc/01/38/59/488013859.db2.gz YPRKVYWRIXLXRL-APPZFPTMSA-N 0 3 247.235 3.098 20 0 BGADHN C[C@H](NCc1ccc(F)c(F)c1)[C@@H]1CC1(F)F ZINC000666445895 488013933 /nfs/dbraw/zinc/01/39/33/488013933.db2.gz YPRKVYWRIXLXRL-CBAPKCEASA-N 0 3 247.235 3.098 20 0 BGADHN C[C@H](NCc1ccc(F)c(F)c1)[C@H]1CC1(F)F ZINC000666445896 488013943 /nfs/dbraw/zinc/01/39/43/488013943.db2.gz YPRKVYWRIXLXRL-IONNQARKSA-N 0 3 247.235 3.098 20 0 BGADHN C[C@@H](NCc1ccc(F)c(F)c1)[C@H]1CC1(F)F ZINC000666445897 488013909 /nfs/dbraw/zinc/01/39/09/488013909.db2.gz YPRKVYWRIXLXRL-VXNVDRBHSA-N 0 3 247.235 3.098 20 0 BGADHN C[C@@H]1CC(C)(C)CN1Cc1n[nH]c2ccccc21 ZINC000666455013 488019394 /nfs/dbraw/zinc/01/93/94/488019394.db2.gz OBMORCYLLILFQF-LLVKDONJSA-N 0 3 243.354 3.183 20 0 BGADHN C[C@H]1CC(C)(C)CN1Cc1n[nH]c2ccccc21 ZINC000666455014 488019420 /nfs/dbraw/zinc/01/94/20/488019420.db2.gz OBMORCYLLILFQF-NSHDSACASA-N 0 3 243.354 3.183 20 0 BGADHN CC(C)(C)[C@@H]1CCC[C@H]1NCc1nccs1 ZINC000666459298 487814959 /nfs/dbraw/zinc/81/49/59/487814959.db2.gz BRLIJAHFBJPNFW-GHMZBOCLSA-N 0 3 238.400 3.448 20 0 BGADHN CC(C)(C)[C@@H]1CCC[C@@H]1NCc1nccs1 ZINC000666459299 487814809 /nfs/dbraw/zinc/81/48/09/487814809.db2.gz BRLIJAHFBJPNFW-MNOVXSKESA-N 0 3 238.400 3.448 20 0 BGADHN CC(C)(C)[C@H]1CCC[C@@H]1NCc1nccs1 ZINC000666459300 487815102 /nfs/dbraw/zinc/81/51/02/487815102.db2.gz BRLIJAHFBJPNFW-QWRGUYRKSA-N 0 3 238.400 3.448 20 0 BGADHN CC(C)(C)[C@H]1CCC[C@H]1NCc1nccs1 ZINC000666459301 487814970 /nfs/dbraw/zinc/81/49/70/487814970.db2.gz BRLIJAHFBJPNFW-WDEREUQCSA-N 0 3 238.400 3.448 20 0 BGADHN COCc1ccc(CN2CC[C@@H](C3CCC3)C2)o1 ZINC000666487634 487819146 /nfs/dbraw/zinc/81/91/46/487819146.db2.gz CGQWVMLDGLGHMJ-CYBMUJFWSA-N 0 3 249.354 3.048 20 0 BGADHN COCc1ccc(CN2CC[C@H](C3CCC3)C2)o1 ZINC000666487635 487818927 /nfs/dbraw/zinc/81/89/27/487818927.db2.gz CGQWVMLDGLGHMJ-ZDUSSCGKSA-N 0 3 249.354 3.048 20 0 BGADHN CC(C)n1cc(CN2CC[C@H](C3CCC3)C2)cn1 ZINC000666488132 487819670 /nfs/dbraw/zinc/81/96/70/487819670.db2.gz KPNXGKVBIJDIST-HNNXBMFYSA-N 0 3 247.386 3.086 20 0 BGADHN CC(C)n1cc(CN2CC[C@@H](C3CCC3)C2)cn1 ZINC000666488133 488024910 /nfs/dbraw/zinc/02/49/10/488024910.db2.gz KPNXGKVBIJDIST-OAHLLOKOSA-N 0 3 247.386 3.086 20 0 BGADHN CCN(CC)Cc1cc2ccc(C)cc2[nH]1 ZINC000667469975 488015980 /nfs/dbraw/zinc/01/59/80/488015980.db2.gz KZSNHGHDHALPTK-UHFFFAOYSA-N 0 3 216.328 3.318 20 0 BGADHN CCCn1nccc1CN(CC)C1CCCCC1 ZINC000667470039 488016031 /nfs/dbraw/zinc/01/60/31/488016031.db2.gz MVSAPDHQOWZPMG-UHFFFAOYSA-N 0 3 249.402 3.448 20 0 BGADHN CCCn1nccc1CN([C@H](C)C(C)C)C1CC1 ZINC000667470653 488015785 /nfs/dbraw/zinc/01/57/85/488015785.db2.gz FPDDCVGGFPWGFH-CYBMUJFWSA-N 0 3 249.402 3.302 20 0 BGADHN CCCn1nccc1CN([C@@H](C)C(C)C)C1CC1 ZINC000667470654 488015861 /nfs/dbraw/zinc/01/58/61/488015861.db2.gz FPDDCVGGFPWGFH-ZDUSSCGKSA-N 0 3 249.402 3.302 20 0 BGADHN COCc1csc(CN2CCCCCC2)c1 ZINC000667470882 488017248 /nfs/dbraw/zinc/01/72/48/488017248.db2.gz OUGWEUIGRPVXLL-UHFFFAOYSA-N 0 3 239.384 3.271 20 0 BGADHN Cn1ncc(C2CCC2)c1CN1CCCCCC1 ZINC000667471094 488016858 /nfs/dbraw/zinc/01/68/58/488016858.db2.gz XHJRCFBAYAHHPU-UHFFFAOYSA-N 0 3 247.386 3.064 20 0 BGADHN CCCn1nccc1CN(C)C1CCCCC1 ZINC000667471626 488017834 /nfs/dbraw/zinc/01/78/34/488017834.db2.gz FJOGTJUCJYWJQK-UHFFFAOYSA-N 0 3 235.375 3.058 20 0 BGADHN CN(Cc1ccnn1CC1CC1)C1CCCCC1 ZINC000667471666 488016998 /nfs/dbraw/zinc/01/69/98/488016998.db2.gz HDPUFUFLKGRQAR-UHFFFAOYSA-N 0 3 247.386 3.058 20 0 BGADHN CCCn1nccc1CN1CCCC[C@H]1CC ZINC000667471696 488017329 /nfs/dbraw/zinc/01/73/29/488017329.db2.gz IITSOAQKQSHCQH-CYBMUJFWSA-N 0 3 235.375 3.058 20 0 BGADHN CCCn1nccc1CN1CCCC[C@@H]1CC ZINC000667471697 488017364 /nfs/dbraw/zinc/01/73/64/488017364.db2.gz IITSOAQKQSHCQH-ZDUSSCGKSA-N 0 3 235.375 3.058 20 0 BGADHN COCc1csc(CN2CCC[C@@H](C)C2)c1 ZINC000667471921 488016796 /nfs/dbraw/zinc/01/67/96/488016796.db2.gz PXPBJBJDQJYQSH-LLVKDONJSA-N 0 3 239.384 3.126 20 0 BGADHN COCc1csc(CN2CCC[C@H](C)C2)c1 ZINC000667471922 488017690 /nfs/dbraw/zinc/01/76/90/488017690.db2.gz PXPBJBJDQJYQSH-NSHDSACASA-N 0 3 239.384 3.126 20 0 BGADHN CC[C@H]1CCCCN1Cc1ccnn1CC1CC1 ZINC000667472057 487566204 /nfs/dbraw/zinc/56/62/04/487566204.db2.gz VYCNPIJAIFRUNZ-AWEZNQCLSA-N 0 3 247.386 3.058 20 0 BGADHN CC[C@@H]1CCCCN1Cc1ccnn1CC1CC1 ZINC000667472058 487565962 /nfs/dbraw/zinc/56/59/62/487565962.db2.gz VYCNPIJAIFRUNZ-CQSZACIVSA-N 0 3 247.386 3.058 20 0 BGADHN CN(Cc1c(C2CC2)cnn1C)C1CCCCC1 ZINC000667472063 487565841 /nfs/dbraw/zinc/56/58/41/487565841.db2.gz WAPFCEGZWPTZJX-UHFFFAOYSA-N 0 3 247.386 3.062 20 0 BGADHN CCCCN(CCCC)Cc1cnc(C)n1C ZINC000667472353 488018459 /nfs/dbraw/zinc/01/84/59/488018459.db2.gz DPRJZWMHBRANCK-UHFFFAOYSA-N 0 3 237.391 3.131 20 0 BGADHN Cc1ccc2cc(CN(C)C(C)C)[nH]c2c1 ZINC000667472367 488018250 /nfs/dbraw/zinc/01/82/50/488018250.db2.gz FCXSDUHOLMPSNP-UHFFFAOYSA-N 0 3 216.328 3.317 20 0 BGADHN CCCCN(C)Cc1cc(COC)cs1 ZINC000667472882 488019225 /nfs/dbraw/zinc/01/92/25/488019225.db2.gz UHVNJAZBAOVQSJ-UHFFFAOYSA-N 0 3 227.373 3.126 20 0 BGADHN CCCCN(CCCC)Cc1cnc2n1CCC2 ZINC000667472936 488018447 /nfs/dbraw/zinc/01/84/47/488018447.db2.gz WTWHAEXJTRRFFZ-UHFFFAOYSA-N 0 3 249.402 3.232 20 0 BGADHN CCCN(CCC)Cc1c(C2CCC2)cnn1C ZINC000667472937 488019035 /nfs/dbraw/zinc/01/90/35/488019035.db2.gz WWNVTKDVEHGQPT-UHFFFAOYSA-N 0 3 249.402 3.310 20 0 BGADHN CCCCN(CC)Cc1c(C2CCC2)cnn1C ZINC000667473176 488019258 /nfs/dbraw/zinc/01/92/58/488019258.db2.gz ASJQVEXTSDQWLQ-UHFFFAOYSA-N 0 3 249.402 3.310 20 0 BGADHN COCc1csc(CN2CCCC[C@H]2C)c1 ZINC000667473219 488018633 /nfs/dbraw/zinc/01/86/33/488018633.db2.gz CASHRXIKFAWMFN-LLVKDONJSA-N 0 3 239.384 3.269 20 0 BGADHN COCc1csc(CN2CCCC[C@@H]2C)c1 ZINC000667473220 488019153 /nfs/dbraw/zinc/01/91/53/488019153.db2.gz CASHRXIKFAWMFN-NSHDSACASA-N 0 3 239.384 3.269 20 0 BGADHN COCc1csc(CN2CCC(C)CC2)c1 ZINC000667473637 488019927 /nfs/dbraw/zinc/01/99/27/488019927.db2.gz QCUQTNXSQLHCJW-UHFFFAOYSA-N 0 3 239.384 3.126 20 0 BGADHN CCCn1nccc1CN(C)C1CCC(C)CC1 ZINC000667484182 488024578 /nfs/dbraw/zinc/02/45/78/488024578.db2.gz BOTYWALRUGFBSA-UHFFFAOYSA-N 0 3 249.402 3.304 20 0 BGADHN CCCn1nccc1CN(C)C1CCCCCC1 ZINC000667491667 488025454 /nfs/dbraw/zinc/02/54/54/488025454.db2.gz AUOMDSQJIKUHON-UHFFFAOYSA-N 0 3 249.402 3.448 20 0 BGADHN CN(Cc1ccc(F)c(F)c1F)C1CCCC1 ZINC000667491714 488025640 /nfs/dbraw/zinc/02/56/40/488025640.db2.gz CXXMGGZAZYMHCH-UHFFFAOYSA-N 0 3 243.272 3.478 20 0 BGADHN CN(Cc1c(C2CCC2)cnn1C)C1CCCC1 ZINC000667491755 488025121 /nfs/dbraw/zinc/02/51/21/488025121.db2.gz FXTYRWNBOYOQKM-UHFFFAOYSA-N 0 3 247.386 3.062 20 0 BGADHN COCc1csc(CN2C3CCC2CC3)c1 ZINC000667493594 488025879 /nfs/dbraw/zinc/02/58/79/488025879.db2.gz XVMHRXBVGNTYLK-UHFFFAOYSA-N 0 3 237.368 3.021 20 0 BGADHN c1c2ccncc2sc1CN1C2CCC1CC2 ZINC000667493635 488026065 /nfs/dbraw/zinc/02/60/65/488026065.db2.gz ZNSHCWNAYMHOHE-UHFFFAOYSA-N 0 3 244.363 3.423 20 0 BGADHN CCCn1nccc1CN(C)CC1CCCCC1 ZINC000667494952 488027583 /nfs/dbraw/zinc/02/75/83/488027583.db2.gz SLBZIQWRAHLLQZ-UHFFFAOYSA-N 0 3 249.402 3.305 20 0 BGADHN CCc1cccc2cc(CN(C)CCOC)oc21 ZINC000667495670 488029095 /nfs/dbraw/zinc/02/90/95/488029095.db2.gz SZFSKRWGQOMOJE-UHFFFAOYSA-N 0 3 247.338 3.073 20 0 BGADHN CCCN(C)Cc1cccc(OC2CC2)c1F ZINC000667496192 488028124 /nfs/dbraw/zinc/02/81/24/488028124.db2.gz KXPCVZYMXWWHKU-UHFFFAOYSA-N 0 3 237.318 3.209 20 0 BGADHN CCCN(C)Cc1cc2ccc(C)cc2[nH]1 ZINC000667496203 488029037 /nfs/dbraw/zinc/02/90/37/488029037.db2.gz LRUMDVBYZYVXAA-UHFFFAOYSA-N 0 3 216.328 3.318 20 0 BGADHN CCCN(C)Cc1cc2c(cccc2C)[nH]1 ZINC000667496487 488028433 /nfs/dbraw/zinc/02/84/33/488028433.db2.gz WLQKTEFKVXPGJT-UHFFFAOYSA-N 0 3 216.328 3.318 20 0 BGADHN CCCn1nccc1CN(CCC(C)C)C1CC1 ZINC000667497745 488030517 /nfs/dbraw/zinc/03/05/17/488030517.db2.gz MZNHCMMZXAOTQF-UHFFFAOYSA-N 0 3 249.402 3.304 20 0 BGADHN CCCn1nccc1CN(C1CC1)C1CCCC1 ZINC000667498444 488030579 /nfs/dbraw/zinc/03/05/79/488030579.db2.gz IYMOHNGNCWUDSE-UHFFFAOYSA-N 0 3 247.386 3.200 20 0 BGADHN CCCn1nccc1CN(C(CC)CC)C1CC1 ZINC000667498692 488030666 /nfs/dbraw/zinc/03/06/66/488030666.db2.gz RNBLUAGCUAHDBX-UHFFFAOYSA-N 0 3 249.402 3.446 20 0 BGADHN CCCn1nccc1CN(C)[C@H]1CCC[C@H](C)C1 ZINC000667499170 488029976 /nfs/dbraw/zinc/02/99/76/488029976.db2.gz BBQJUHDVWADATO-KBPBESRZSA-N 0 3 249.402 3.304 20 0 BGADHN CCCn1nccc1CN(C)[C@H]1CCC[C@@H](C)C1 ZINC000667499171 488030819 /nfs/dbraw/zinc/03/08/19/488030819.db2.gz BBQJUHDVWADATO-KGLIPLIRSA-N 0 3 249.402 3.304 20 0 BGADHN CCCn1nccc1CN(C)[C@@H]1CCC[C@H](C)C1 ZINC000667499172 488030400 /nfs/dbraw/zinc/03/04/00/488030400.db2.gz BBQJUHDVWADATO-UONOGXRCSA-N 0 3 249.402 3.304 20 0 BGADHN CCCn1nccc1CN(C)[C@@H]1CCC[C@@H](C)C1 ZINC000667499173 488030298 /nfs/dbraw/zinc/03/02/98/488030298.db2.gz BBQJUHDVWADATO-ZIAGYGMSSA-N 0 3 249.402 3.304 20 0 BGADHN CCC1CCC(N(C)Cc2cnc(C)n2C)CC1 ZINC000667499275 488030683 /nfs/dbraw/zinc/03/06/83/488030683.db2.gz FFCUMAXYNAVMNE-UHFFFAOYSA-N 0 3 249.402 3.129 20 0 BGADHN CC(C)[C@@H](C)N(C)Cc1c(C2CCC2)cnn1C ZINC000667499331 487596980 /nfs/dbraw/zinc/59/69/80/487596980.db2.gz GYWFLPVFFPIIOX-GFCCVEGCSA-N 0 3 249.402 3.164 20 0 BGADHN CC(C)[C@H](C)N(C)Cc1c(C2CCC2)cnn1C ZINC000667499332 487596968 /nfs/dbraw/zinc/59/69/68/487596968.db2.gz GYWFLPVFFPIIOX-LBPRGKRZSA-N 0 3 249.402 3.164 20 0 BGADHN CC(C)CCN(C)Cc1c(C2CCC2)cnn1C ZINC000667499657 488030715 /nfs/dbraw/zinc/03/07/15/488030715.db2.gz RAPLVEBDDREMMR-UHFFFAOYSA-N 0 3 249.402 3.166 20 0 BGADHN COCc1csc(CN(C)CCC(C)C)c1 ZINC000667499753 488030587 /nfs/dbraw/zinc/03/05/87/488030587.db2.gz UNLWMRNNVACACS-UHFFFAOYSA-N 0 3 241.400 3.372 20 0 BGADHN CCCN(Cc1cc(COC)cs1)C1CC1 ZINC000667500172 488029880 /nfs/dbraw/zinc/02/98/80/488029880.db2.gz GXSFZMZXFKCIIB-UHFFFAOYSA-N 0 3 239.384 3.269 20 0 BGADHN CCCN(Cc1c(C2CCC2)cnn1C)C1CC1 ZINC000667500276 488030849 /nfs/dbraw/zinc/03/08/49/488030849.db2.gz KEIPDXVRCGXBKA-UHFFFAOYSA-N 0 3 247.386 3.062 20 0 BGADHN CCCCN(Cc1ccnn1CCC)C1CC1 ZINC000667500279 488030497 /nfs/dbraw/zinc/03/04/97/488030497.db2.gz KHSCZRQSSHJMRK-UHFFFAOYSA-N 0 3 235.375 3.058 20 0 BGADHN CCCCN(Cc1c(C2CC2)cnn1C)C1CC1 ZINC000667500822 488030424 /nfs/dbraw/zinc/03/04/24/488030424.db2.gz BVMKMJZNGRWPGK-UHFFFAOYSA-N 0 3 247.386 3.062 20 0 BGADHN CCCCN(Cc1ccnn1CC1CC1)C1CC1 ZINC000667500983 487598286 /nfs/dbraw/zinc/59/82/86/487598286.db2.gz IISNVUOJPPGWRP-UHFFFAOYSA-N 0 3 247.386 3.058 20 0 BGADHN CCN(Cc1cc2ccc(C)cc2[nH]1)C1CC1 ZINC000667501054 488031847 /nfs/dbraw/zinc/03/18/47/488031847.db2.gz LINYKEHCRLSNKS-UHFFFAOYSA-N 0 3 228.339 3.461 20 0 BGADHN CCN(Cc1cc2c(cccc2C)[nH]1)C1CC1 ZINC000667501111 488031887 /nfs/dbraw/zinc/03/18/87/488031887.db2.gz NOLLUYDHNRECFM-UHFFFAOYSA-N 0 3 228.339 3.461 20 0 BGADHN CCCn1nccc1CN1CCC[C@H]1CC(C)C ZINC000667502754 488032041 /nfs/dbraw/zinc/03/20/41/488032041.db2.gz OFPNSTYQADWQCY-AWEZNQCLSA-N 0 3 249.402 3.304 20 0 BGADHN CCCn1nccc1CN1CCC[C@@H]1CC(C)C ZINC000667502755 488031231 /nfs/dbraw/zinc/03/12/31/488031231.db2.gz OFPNSTYQADWQCY-CQSZACIVSA-N 0 3 249.402 3.304 20 0 BGADHN CCCn1nccc1CN(CC)C1CCCC1 ZINC000667503220 488031875 /nfs/dbraw/zinc/03/18/75/488031875.db2.gz DNRYGPCRYCWOIT-UHFFFAOYSA-N 0 3 235.375 3.058 20 0 BGADHN CCN(Cc1c(C2CCC2)cnn1C)CC(C)C ZINC000667503270 488032015 /nfs/dbraw/zinc/03/20/15/488032015.db2.gz GOAXCONLHLHHRC-UHFFFAOYSA-N 0 3 249.402 3.166 20 0 BGADHN CCN(Cc1ccnn1CC1CC1)C1CCCC1 ZINC000667503632 488031771 /nfs/dbraw/zinc/03/17/71/488031771.db2.gz RVVRQJJCIFLLFJ-UHFFFAOYSA-N 0 3 247.386 3.058 20 0 BGADHN CCN(Cc1c(C2CC2)cnn1C)C1CCCC1 ZINC000667503783 488033277 /nfs/dbraw/zinc/03/32/77/488033277.db2.gz XGTWVPIKVLHAJR-UHFFFAOYSA-N 0 3 247.386 3.062 20 0 BGADHN Cc1cccc2[nH]c(CN(C)C3CC3)cc21 ZINC000667504169 488033255 /nfs/dbraw/zinc/03/32/55/488033255.db2.gz KDNDKPLNGXPNQE-UHFFFAOYSA-N 0 3 214.312 3.071 20 0 BGADHN CCCOc1ccc(CN(C)C2CC2)c(C)c1 ZINC000667504302 488032730 /nfs/dbraw/zinc/03/27/30/488032730.db2.gz NVQRSEDRPXSCLM-UHFFFAOYSA-N 0 3 233.355 3.378 20 0 BGADHN Cc1ccc2cc(CN(C)C3CC3)[nH]c2c1 ZINC000667504400 488033084 /nfs/dbraw/zinc/03/30/84/488033084.db2.gz QVAAKKKWYUMCMK-UHFFFAOYSA-N 0 3 214.312 3.071 20 0 BGADHN CCCCCN(Cc1cnc2n1CCC2)C(C)C ZINC000667505364 488033644 /nfs/dbraw/zinc/03/36/44/488033644.db2.gz MRWZHMNNGWABPE-UHFFFAOYSA-N 0 3 249.402 3.230 20 0 BGADHN CCCCCN(Cc1cnc(C)n1C)C(C)C ZINC000667505576 488032942 /nfs/dbraw/zinc/03/29/42/488032942.db2.gz UGWSXIICKIUTFI-UHFFFAOYSA-N 0 3 237.391 3.129 20 0 BGADHN CCCCCN(Cc1cnn2c1CCC2)C(C)C ZINC000667505712 488032570 /nfs/dbraw/zinc/03/25/70/488032570.db2.gz YFWKWCXRRIZZIE-UHFFFAOYSA-N 0 3 249.402 3.230 20 0 BGADHN Cc1ncc(CN(C2CC2)C2CCCCC2)n1C ZINC000667505744 488033887 /nfs/dbraw/zinc/03/38/87/488033887.db2.gz ZLOYIGHQGQUBNU-UHFFFAOYSA-N 0 3 247.386 3.026 20 0 BGADHN CCC[C@@H](C)N(C)Cc1c(C2CCC2)cnn1C ZINC000667506764 488033582 /nfs/dbraw/zinc/03/35/82/488033582.db2.gz MGEPVWZVHVDGTR-GFCCVEGCSA-N 0 3 249.402 3.308 20 0 BGADHN CCC[C@H](C)N(C)Cc1c(C2CCC2)cnn1C ZINC000667506765 488033913 /nfs/dbraw/zinc/03/39/13/488033913.db2.gz MGEPVWZVHVDGTR-LBPRGKRZSA-N 0 3 249.402 3.308 20 0 BGADHN C[C@H](C1CC1)N(C)Cc1ccc(F)c(F)c1F ZINC000667511724 488034588 /nfs/dbraw/zinc/03/45/88/488034588.db2.gz SDDIJWSFVASBAH-MRVPVSSYSA-N 0 3 243.272 3.334 20 0 BGADHN C[C@@H](C1CC1)N(C)Cc1ccc(F)c(F)c1F ZINC000667511725 488035286 /nfs/dbraw/zinc/03/52/86/488035286.db2.gz SDDIJWSFVASBAH-QMMMGPOBSA-N 0 3 243.272 3.334 20 0 BGADHN CCCN(Cc1ccnn1CCC)CC(C)C ZINC000667513682 488035426 /nfs/dbraw/zinc/03/54/26/488035426.db2.gz IVNUJSXQNYFEMF-UHFFFAOYSA-N 0 3 237.391 3.161 20 0 BGADHN CCCN(Cc1c(C2CC2)cnn1C)CC(C)C ZINC000667514675 488034760 /nfs/dbraw/zinc/03/47/60/488034760.db2.gz HIZOSGFQYXNEDW-UHFFFAOYSA-N 0 3 249.402 3.166 20 0 BGADHN CCCN(Cc1ccnn1CC1CC1)CC(C)C ZINC000667515028 488034617 /nfs/dbraw/zinc/03/46/17/488034617.db2.gz UDSCFGWQWCHXSJ-UHFFFAOYSA-N 0 3 249.402 3.161 20 0 BGADHN CCC(CC)CN(CC)Cc1cnc2n1CCC2 ZINC000667516095 488035011 /nfs/dbraw/zinc/03/50/11/488035011.db2.gz UZVUURJLQVOEJY-UHFFFAOYSA-N 0 3 249.402 3.087 20 0 BGADHN COCc1csc(CN(C(C)C)C2CC2)c1 ZINC000667516799 488035983 /nfs/dbraw/zinc/03/59/83/488035983.db2.gz JAZKYTDENLCYHP-UHFFFAOYSA-N 0 3 239.384 3.267 20 0 BGADHN C[C@@H](N(C)Cc1c(C2CC2)cnn1C)C(C)(C)C ZINC000667517817 488036168 /nfs/dbraw/zinc/03/61/68/488036168.db2.gz GUFFLQKAYDNGBV-LLVKDONJSA-N 0 3 249.402 3.164 20 0 BGADHN C[C@H](N(C)Cc1c(C2CC2)cnn1C)C(C)(C)C ZINC000667517818 488034494 /nfs/dbraw/zinc/03/44/94/488034494.db2.gz GUFFLQKAYDNGBV-NSHDSACASA-N 0 3 249.402 3.164 20 0 BGADHN CCCn1nccc1CN(C)[C@H](C)C(C)(C)C ZINC000667517884 488036004 /nfs/dbraw/zinc/03/60/04/488036004.db2.gz IKHSNSLHJOFAMA-GFCCVEGCSA-N 0 3 237.391 3.160 20 0 BGADHN CCCn1nccc1CN(C)[C@@H](C)C(C)(C)C ZINC000667517885 488036694 /nfs/dbraw/zinc/03/66/94/488036694.db2.gz IKHSNSLHJOFAMA-LBPRGKRZSA-N 0 3 237.391 3.160 20 0 BGADHN C[C@@H](N(C)Cc1ccnn1CC1CC1)C(C)(C)C ZINC000667518092 488036057 /nfs/dbraw/zinc/03/60/57/488036057.db2.gz OHNVBWRINWMUMC-GFCCVEGCSA-N 0 3 249.402 3.160 20 0 BGADHN C[C@H](N(C)Cc1ccnn1CC1CC1)C(C)(C)C ZINC000667518093 488036842 /nfs/dbraw/zinc/03/68/42/488036842.db2.gz OHNVBWRINWMUMC-LBPRGKRZSA-N 0 3 249.402 3.160 20 0 BGADHN CCCn1nccc1CN([C@H](C)C1CC1)C1CC1 ZINC000667518151 488036747 /nfs/dbraw/zinc/03/67/47/488036747.db2.gz QRLDEXZPLZHLLZ-GFCCVEGCSA-N 0 3 247.386 3.056 20 0 BGADHN CCCn1nccc1CN([C@@H](C)C1CC1)C1CC1 ZINC000667518152 488036640 /nfs/dbraw/zinc/03/66/40/488036640.db2.gz QRLDEXZPLZHLLZ-LBPRGKRZSA-N 0 3 247.386 3.056 20 0 BGADHN CC[C@@H](C)CN(C)Cc1c(C2CCC2)cnn1C ZINC000667529773 488038179 /nfs/dbraw/zinc/03/81/79/488038179.db2.gz CAYRBIHXKQPMQK-GFCCVEGCSA-N 0 3 249.402 3.166 20 0 BGADHN CC[C@H](C)CN(C)Cc1c(C2CCC2)cnn1C ZINC000667529774 488038012 /nfs/dbraw/zinc/03/80/12/488038012.db2.gz CAYRBIHXKQPMQK-LBPRGKRZSA-N 0 3 249.402 3.166 20 0 BGADHN CC(C)CN(Cc1ccnn1CC1CC1)C(C)C ZINC000667530548 488039255 /nfs/dbraw/zinc/03/92/55/488039255.db2.gz BCDTUFZLVRMOOO-UHFFFAOYSA-N 0 3 249.402 3.160 20 0 BGADHN CC(C)CN(Cc1c(C2CC2)cnn1C)C(C)C ZINC000667530622 488038953 /nfs/dbraw/zinc/03/89/53/488038953.db2.gz DWHDBWPDYRKERK-UHFFFAOYSA-N 0 3 249.402 3.164 20 0 BGADHN CCCn1nccc1CN(CC(C)C)C(C)C ZINC000667530796 488037845 /nfs/dbraw/zinc/03/78/45/488037845.db2.gz LPCLPKFICZAUGD-UHFFFAOYSA-N 0 3 237.391 3.160 20 0 BGADHN CN(Cc1cccc(OC2CC2)c1F)CC1CC1 ZINC000667534232 488040765 /nfs/dbraw/zinc/04/07/65/488040765.db2.gz RGTSEJZKWDHAJH-UHFFFAOYSA-N 0 3 249.329 3.209 20 0 BGADHN CN(Cc1c(C2CCC2)cnn1C)CC(C)(C)C ZINC000667534764 488040691 /nfs/dbraw/zinc/04/06/91/488040691.db2.gz KMKUQPWEBZFKAZ-UHFFFAOYSA-N 0 3 249.402 3.166 20 0 BGADHN COCc1csc(CN(C)CC(C)(C)C)c1 ZINC000667535136 488040677 /nfs/dbraw/zinc/04/06/77/488040677.db2.gz ZBOBTVKRMZBWSR-UHFFFAOYSA-N 0 3 241.400 3.372 20 0 BGADHN CC[C@@H]1CCCN1Cc1c(C2CCC2)cnn1C ZINC000667544795 488041186 /nfs/dbraw/zinc/04/11/86/488041186.db2.gz OZKOMCGASJYLMB-CYBMUJFWSA-N 0 3 247.386 3.062 20 0 BGADHN CC[C@H]1CCCN1Cc1c(C2CCC2)cnn1C ZINC000667544796 488041647 /nfs/dbraw/zinc/04/16/47/488041647.db2.gz OZKOMCGASJYLMB-ZDUSSCGKSA-N 0 3 247.386 3.062 20 0 BGADHN Cc1cccc2[nH]c(CN3CC[C@@H](C)C3)cc21 ZINC000667554162 488045550 /nfs/dbraw/zinc/04/55/50/488045550.db2.gz LEHJHDCZJFNZHW-LLVKDONJSA-N 0 3 228.339 3.318 20 0 BGADHN Cc1cccc2[nH]c(CN3CC[C@H](C)C3)cc21 ZINC000667554163 488044815 /nfs/dbraw/zinc/04/48/15/488044815.db2.gz LEHJHDCZJFNZHW-NSHDSACASA-N 0 3 228.339 3.318 20 0 BGADHN C[C@@H]1CCN(Cc2cccc(OC3CC3)c2F)C1 ZINC000667554254 488044702 /nfs/dbraw/zinc/04/47/02/488044702.db2.gz OHHXRPRTSBGNKF-LLVKDONJSA-N 0 3 249.329 3.209 20 0 BGADHN C[C@H]1CCN(Cc2cccc(OC3CC3)c2F)C1 ZINC000667554255 488044675 /nfs/dbraw/zinc/04/46/75/488044675.db2.gz OHHXRPRTSBGNKF-NSHDSACASA-N 0 3 249.329 3.209 20 0 BGADHN Cc1ccc2cc(CN3CC[C@@H](C)C3)[nH]c2c1 ZINC000667554341 488044686 /nfs/dbraw/zinc/04/46/86/488044686.db2.gz RIPXUQVBORKALB-GFCCVEGCSA-N 0 3 228.339 3.318 20 0 BGADHN Cc1ccc2cc(CN3CC[C@H](C)C3)[nH]c2c1 ZINC000667554342 488045232 /nfs/dbraw/zinc/04/52/32/488045232.db2.gz RIPXUQVBORKALB-LBPRGKRZSA-N 0 3 228.339 3.318 20 0 BGADHN CCCn1nccc1CN(CC)[C@H](C)C(C)C ZINC000667560973 487622370 /nfs/dbraw/zinc/62/23/70/487622370.db2.gz HZBJQOZDQJUGOF-CYBMUJFWSA-N 0 3 237.391 3.160 20 0 BGADHN CCCn1nccc1CN(CC)[C@@H](C)C(C)C ZINC000667560974 487622586 /nfs/dbraw/zinc/62/25/86/487622586.db2.gz HZBJQOZDQJUGOF-ZDUSSCGKSA-N 0 3 237.391 3.160 20 0 BGADHN CCN(Cc1ccnn1CC1CC1)[C@H](C)C(C)C ZINC000667561047 487622481 /nfs/dbraw/zinc/62/24/81/487622481.db2.gz JQNMGJKLTUJUBQ-CYBMUJFWSA-N 0 3 249.402 3.160 20 0 BGADHN CCN(Cc1ccnn1CC1CC1)[C@@H](C)C(C)C ZINC000667561048 487622494 /nfs/dbraw/zinc/62/24/94/487622494.db2.gz JQNMGJKLTUJUBQ-ZDUSSCGKSA-N 0 3 249.402 3.160 20 0 BGADHN CCCn1nccc1CN1CCC[C@H]1C1CCC1 ZINC000667569794 488050150 /nfs/dbraw/zinc/05/01/50/488050150.db2.gz SRXQKKINYATQMC-HNNXBMFYSA-N 0 3 247.386 3.058 20 0 BGADHN CCCn1nccc1CN1CCC[C@@H]1C1CCC1 ZINC000667569795 488049706 /nfs/dbraw/zinc/04/97/06/488049706.db2.gz SRXQKKINYATQMC-OAHLLOKOSA-N 0 3 247.386 3.058 20 0 BGADHN CCCn1nccc1CN1CCC(C)(CC)CC1 ZINC000667569885 488050246 /nfs/dbraw/zinc/05/02/46/488050246.db2.gz WAAXGGWAMVJWCO-UHFFFAOYSA-N 0 3 249.402 3.305 20 0 BGADHN Cc1ncc(CN(C)CCC2CCCCC2)n1C ZINC000667569953 488050723 /nfs/dbraw/zinc/05/07/23/488050723.db2.gz YFRNPLVKHQDBRG-UHFFFAOYSA-N 0 3 249.402 3.131 20 0 BGADHN CCCn1nccc1CN1CCC[C@H]1C(C)(C)C ZINC000667590416 488053460 /nfs/dbraw/zinc/05/34/60/488053460.db2.gz VKFOAFVXQAZESK-AWEZNQCLSA-N 0 3 249.402 3.304 20 0 BGADHN CCCn1nccc1CN1CCC[C@@H]1C(C)(C)C ZINC000667590417 488053393 /nfs/dbraw/zinc/05/33/93/488053393.db2.gz VKFOAFVXQAZESK-CQSZACIVSA-N 0 3 249.402 3.304 20 0 BGADHN CC[C@@H](C)[C@H](C)N(Cc1cnc(C)n1C)C1CC1 ZINC000667601258 488055960 /nfs/dbraw/zinc/05/59/60/488055960.db2.gz VSQYJBVMKBYIHZ-NEPJUHHUSA-N 0 3 249.402 3.128 20 0 BGADHN CC[C@H](C)[C@@H](C)N(Cc1cnc(C)n1C)C1CC1 ZINC000667601261 488055943 /nfs/dbraw/zinc/05/59/43/488055943.db2.gz VSQYJBVMKBYIHZ-NWDGAFQWSA-N 0 3 249.402 3.128 20 0 BGADHN CC[C@H](C)[C@H](C)N(Cc1cnc(C)n1C)C1CC1 ZINC000667601262 488055921 /nfs/dbraw/zinc/05/59/21/488055921.db2.gz VSQYJBVMKBYIHZ-RYUDHWBXSA-N 0 3 249.402 3.128 20 0 BGADHN CC[C@@H](C)[C@@H](C)N(Cc1cnc(C)n1C)C1CC1 ZINC000667601264 488056543 /nfs/dbraw/zinc/05/65/43/488056543.db2.gz VSQYJBVMKBYIHZ-VXGBXAGGSA-N 0 3 249.402 3.128 20 0 BGADHN C[C@@H]1CCCN1Cc1cccc(OC2CC2)c1F ZINC000667618656 488060139 /nfs/dbraw/zinc/06/01/39/488060139.db2.gz DTYNGEWFCDMVOI-LLVKDONJSA-N 0 3 249.329 3.351 20 0 BGADHN C[C@H]1CCCN1Cc1cccc(OC2CC2)c1F ZINC000667618657 487679970 /nfs/dbraw/zinc/67/99/70/487679970.db2.gz DTYNGEWFCDMVOI-NSHDSACASA-N 0 3 249.329 3.351 20 0 BGADHN Cc1cccc2[nH]c(CN3CCC[C@H]3C)cc21 ZINC000667618819 488060522 /nfs/dbraw/zinc/06/05/22/488060522.db2.gz JAWDVGSHZKTJMN-GFCCVEGCSA-N 0 3 228.339 3.461 20 0 BGADHN Cc1cccc2[nH]c(CN3CCC[C@@H]3C)cc21 ZINC000667618820 488060757 /nfs/dbraw/zinc/06/07/57/488060757.db2.gz JAWDVGSHZKTJMN-LBPRGKRZSA-N 0 3 228.339 3.461 20 0 BGADHN Cc1ccc2cc(CN3CCC[C@H]3C)[nH]c2c1 ZINC000667618985 488060338 /nfs/dbraw/zinc/06/03/38/488060338.db2.gz PEQQDDYWPDRFDN-GFCCVEGCSA-N 0 3 228.339 3.461 20 0 BGADHN Cc1ccc2cc(CN3CCC[C@@H]3C)[nH]c2c1 ZINC000667618986 488060063 /nfs/dbraw/zinc/06/00/63/488060063.db2.gz PEQQDDYWPDRFDN-LBPRGKRZSA-N 0 3 228.339 3.461 20 0 BGADHN COCc1csc(CN2CCC(C)(C)C2)c1 ZINC000667621236 488061873 /nfs/dbraw/zinc/06/18/73/488061873.db2.gz CQEZRFFHCYEZDU-UHFFFAOYSA-N 0 3 239.384 3.126 20 0 BGADHN CCCn1nccc1CN1CCC(CC)(CC)C1 ZINC000667621395 488061787 /nfs/dbraw/zinc/06/17/87/488061787.db2.gz IGNKBDXSIVKDEA-UHFFFAOYSA-N 0 3 249.402 3.305 20 0 BGADHN CCCn1nccc1CN1CC[C@@H](CC(C)C)C1 ZINC000667621726 488061951 /nfs/dbraw/zinc/06/19/51/488061951.db2.gz SZRPNVTUKKCFRU-AWEZNQCLSA-N 0 3 249.402 3.161 20 0 BGADHN CCCn1nccc1CN1CC[C@H](CC(C)C)C1 ZINC000667621727 488061416 /nfs/dbraw/zinc/06/14/16/488061416.db2.gz SZRPNVTUKKCFRU-CQSZACIVSA-N 0 3 249.402 3.161 20 0 BGADHN CCN(Cc1ccc(F)c(F)c1F)CC1CC1 ZINC000667631041 487685100 /nfs/dbraw/zinc/68/51/00/487685100.db2.gz YAJLWDJEOMQMJR-UHFFFAOYSA-N 0 3 243.272 3.336 20 0 BGADHN C[C@@H]1CCCCCN1Cc1c(C2CC2)cnn1C ZINC000667631697 488063699 /nfs/dbraw/zinc/06/36/99/488063699.db2.gz IZHCEMRNTHFGGD-GFCCVEGCSA-N 0 3 247.386 3.062 20 0 BGADHN C[C@H]1CCCCCN1Cc1c(C2CC2)cnn1C ZINC000667631698 488064126 /nfs/dbraw/zinc/06/41/26/488064126.db2.gz IZHCEMRNTHFGGD-LBPRGKRZSA-N 0 3 247.386 3.062 20 0 BGADHN CCCn1nccc1CN1CCCCC[C@H]1C ZINC000667631841 488064952 /nfs/dbraw/zinc/06/49/52/488064952.db2.gz LRTPIIFAJZJXAK-CYBMUJFWSA-N 0 3 235.375 3.058 20 0 BGADHN CCCn1nccc1CN1CCCCC[C@@H]1C ZINC000667631842 488065431 /nfs/dbraw/zinc/06/54/31/488065431.db2.gz LRTPIIFAJZJXAK-ZDUSSCGKSA-N 0 3 235.375 3.058 20 0 BGADHN C[C@@H]1CCCCCN1Cc1ccnn1CC1CC1 ZINC000667632389 488065336 /nfs/dbraw/zinc/06/53/36/488065336.db2.gz XSUDKFHZHUWWIH-CYBMUJFWSA-N 0 3 247.386 3.058 20 0 BGADHN C[C@H]1CCCCCN1Cc1ccnn1CC1CC1 ZINC000667632390 488065480 /nfs/dbraw/zinc/06/54/80/488065480.db2.gz XSUDKFHZHUWWIH-ZDUSSCGKSA-N 0 3 247.386 3.058 20 0 BGADHN CCCn1nccc1CN1CCCC[C@H]1C(C)C ZINC000667642625 488066722 /nfs/dbraw/zinc/06/67/22/488066722.db2.gz FEVPCNFGKXWNNH-HNNXBMFYSA-N 0 3 249.402 3.304 20 0 BGADHN CCCn1nccc1CN1CCCC[C@@H]1C(C)C ZINC000667642626 488067135 /nfs/dbraw/zinc/06/71/35/488067135.db2.gz FEVPCNFGKXWNNH-OAHLLOKOSA-N 0 3 249.402 3.304 20 0 BGADHN CCCn1nccc1CN1CCC[C@](C)(CC)C1 ZINC000667645288 487690589 /nfs/dbraw/zinc/69/05/89/487690589.db2.gz KUOPZVFLYIRHDZ-HNNXBMFYSA-N 0 3 249.402 3.305 20 0 BGADHN CCCn1nccc1CN1CCC[C@@](C)(CC)C1 ZINC000667645289 487690711 /nfs/dbraw/zinc/69/07/11/487690711.db2.gz KUOPZVFLYIRHDZ-OAHLLOKOSA-N 0 3 249.402 3.305 20 0 BGADHN Cc1cccc2[nH]c(CN(C)C3CCC3)cc21 ZINC000667647215 488070501 /nfs/dbraw/zinc/07/05/01/488070501.db2.gz OIWNJDFHVPDMNO-UHFFFAOYSA-N 0 3 228.339 3.461 20 0 BGADHN Cc1ccc2cc(CN(C)C3CCC3)[nH]c2c1 ZINC000667647250 488070052 /nfs/dbraw/zinc/07/00/52/488070052.db2.gz PJSYMWHDPPEDSQ-UHFFFAOYSA-N 0 3 228.339 3.461 20 0 BGADHN COCc1csc(CN2CC=C(C)CC2)c1 ZINC000667649972 487696506 /nfs/dbraw/zinc/69/65/06/487696506.db2.gz IEBAWWJXIZSCLZ-UHFFFAOYSA-N 0 3 237.368 3.047 20 0 BGADHN CC1=CCN(Cc2cc3ccncc3s2)CC1 ZINC000667650321 488073424 /nfs/dbraw/zinc/07/34/24/488073424.db2.gz SREHUFXINOWGDA-UHFFFAOYSA-N 0 3 244.363 3.448 20 0 BGADHN Cc1ncc(CN(C)C2CCC(C)(C)CC2)n1C ZINC000667651275 488074350 /nfs/dbraw/zinc/07/43/50/488074350.db2.gz QCVNIXFMGLLVNQ-UHFFFAOYSA-N 0 3 249.402 3.129 20 0 BGADHN CCC[C@@]1(C)CCCN(Cc2cnc(C)n2C)C1 ZINC000667651598 488073909 /nfs/dbraw/zinc/07/39/09/488073909.db2.gz BEWPEDYILUUWHQ-HNNXBMFYSA-N 0 3 249.402 3.131 20 0 BGADHN CCC[C@]1(C)CCCN(Cc2cnc(C)n2C)C1 ZINC000667651599 487698850 /nfs/dbraw/zinc/69/88/50/487698850.db2.gz BEWPEDYILUUWHQ-OAHLLOKOSA-N 0 3 249.402 3.131 20 0 BGADHN CCCn1nccc1CN1C[C@@H](C)CCC[C@@H]1C ZINC000667651653 488074531 /nfs/dbraw/zinc/07/45/31/488074531.db2.gz CRCKWRGQCUCFHS-KBPBESRZSA-N 0 3 249.402 3.304 20 0 BGADHN CCCn1nccc1CN1C[C@H](C)CCC[C@@H]1C ZINC000667651654 488074366 /nfs/dbraw/zinc/07/43/66/488074366.db2.gz CRCKWRGQCUCFHS-KGLIPLIRSA-N 0 3 249.402 3.304 20 0 BGADHN CCCn1nccc1CN1C[C@@H](C)CCC[C@H]1C ZINC000667651655 488074660 /nfs/dbraw/zinc/07/46/60/488074660.db2.gz CRCKWRGQCUCFHS-UONOGXRCSA-N 0 3 249.402 3.304 20 0 BGADHN CCCn1nccc1CN1C[C@H](C)CCC[C@H]1C ZINC000667651656 488074517 /nfs/dbraw/zinc/07/45/17/488074517.db2.gz CRCKWRGQCUCFHS-ZIAGYGMSSA-N 0 3 249.402 3.304 20 0 BGADHN CCCn1nccc1CN1CCCCC[C@@H]1CC ZINC000667653488 488075339 /nfs/dbraw/zinc/07/53/39/488075339.db2.gz BCLNQDQXXZYGLN-AWEZNQCLSA-N 0 3 249.402 3.448 20 0 BGADHN CCCn1nccc1CN1CCCCC[C@H]1CC ZINC000667653489 488075771 /nfs/dbraw/zinc/07/57/71/488075771.db2.gz BCLNQDQXXZYGLN-CQSZACIVSA-N 0 3 249.402 3.448 20 0 BGADHN CCCn1nccc1CN1CCC[C@H](CC)CC1 ZINC000667655758 488076492 /nfs/dbraw/zinc/07/64/92/488076492.db2.gz PFAGNOUFEJGABP-AWEZNQCLSA-N 0 3 249.402 3.305 20 0 BGADHN CCCn1nccc1CN1CCC[C@@H](CC)CC1 ZINC000667655759 488076374 /nfs/dbraw/zinc/07/63/74/488076374.db2.gz PFAGNOUFEJGABP-CQSZACIVSA-N 0 3 249.402 3.305 20 0 BGADHN CCN(Cc1c(C2CCC2)cnn1C)C1CCC1 ZINC000667658519 488077937 /nfs/dbraw/zinc/07/79/37/488077937.db2.gz IOJSVUKLRCRQLO-UHFFFAOYSA-N 0 3 247.386 3.062 20 0 BGADHN CCCn1nccc1CN(C(C)C)C1CCC1 ZINC000667664709 488079569 /nfs/dbraw/zinc/07/95/69/488079569.db2.gz RFMGRXNLMCJMBC-UHFFFAOYSA-N 0 3 235.375 3.056 20 0 BGADHN CC(C)N(Cc1ccnn1CC1CC1)C1CCC1 ZINC000667665110 488080884 /nfs/dbraw/zinc/08/08/84/488080884.db2.gz ZETYENBPJIHUOC-UHFFFAOYSA-N 0 3 247.386 3.056 20 0 BGADHN Cc1ncc(CN2CCCC[C@H]2CC(C)C)n1C ZINC000667667909 488080597 /nfs/dbraw/zinc/08/05/97/488080597.db2.gz YRRARWJKDBXAJF-AWEZNQCLSA-N 0 3 249.402 3.129 20 0 BGADHN Cc1ncc(CN2CCCC[C@@H]2CC(C)C)n1C ZINC000667667910 488081231 /nfs/dbraw/zinc/08/12/31/488081231.db2.gz YRRARWJKDBXAJF-CQSZACIVSA-N 0 3 249.402 3.129 20 0 BGADHN CCCn1nccc1CN1CCCC(C)(C)CC1 ZINC000667668173 488082171 /nfs/dbraw/zinc/08/21/71/488082171.db2.gz FGFBHNOTEDRWIH-UHFFFAOYSA-N 0 3 249.402 3.305 20 0 BGADHN CCCn1nccc1CN1CCC(C(C)C)CC1 ZINC000667670441 488082162 /nfs/dbraw/zinc/08/21/62/488082162.db2.gz ORLPJRUNWLTSLL-UHFFFAOYSA-N 0 3 249.402 3.161 20 0 BGADHN CCC[C@H]1CCCN(Cc2ccnn2CCC)C1 ZINC000667674034 488082796 /nfs/dbraw/zinc/08/27/96/488082796.db2.gz VGDAZGRORSPABB-AWEZNQCLSA-N 0 3 249.402 3.305 20 0 BGADHN CCC[C@@H]1CCCN(Cc2ccnn2CCC)C1 ZINC000667674035 488082772 /nfs/dbraw/zinc/08/27/72/488082772.db2.gz VGDAZGRORSPABB-CQSZACIVSA-N 0 3 249.402 3.305 20 0 BGADHN CC[C@@H](C)CN(CC)Cc1ccnn1CC1CC1 ZINC000667688126 488087465 /nfs/dbraw/zinc/08/74/65/488087465.db2.gz GHLHRHGEQOAWKL-CYBMUJFWSA-N 0 3 249.402 3.161 20 0 BGADHN CC[C@H](C)CN(CC)Cc1ccnn1CC1CC1 ZINC000667688127 488088257 /nfs/dbraw/zinc/08/82/57/488088257.db2.gz GHLHRHGEQOAWKL-ZDUSSCGKSA-N 0 3 249.402 3.161 20 0 BGADHN CC[C@@H](C)CN(CC)Cc1c(C2CC2)cnn1C ZINC000667688381 488088181 /nfs/dbraw/zinc/08/81/81/488088181.db2.gz PRPMGEOVWSAXRO-GFCCVEGCSA-N 0 3 249.402 3.166 20 0 BGADHN CC[C@H](C)CN(CC)Cc1c(C2CC2)cnn1C ZINC000667688382 488088270 /nfs/dbraw/zinc/08/82/70/488088270.db2.gz PRPMGEOVWSAXRO-LBPRGKRZSA-N 0 3 249.402 3.166 20 0 BGADHN CCCn1nccc1CN(CC)C[C@H](C)CC ZINC000667688461 488087357 /nfs/dbraw/zinc/08/73/57/488087357.db2.gz SVNUKQISIJWPCL-CYBMUJFWSA-N 0 3 237.391 3.161 20 0 BGADHN CCCn1nccc1CN(CC)C[C@@H](C)CC ZINC000667688462 488088303 /nfs/dbraw/zinc/08/83/03/488088303.db2.gz SVNUKQISIJWPCL-ZDUSSCGKSA-N 0 3 237.391 3.161 20 0 BGADHN Cc1ncc(CN2CCC[C@H]2CCC(C)C)n1C ZINC000667688538 488088348 /nfs/dbraw/zinc/08/83/48/488088348.db2.gz WHOBWJQSGUGAIU-AWEZNQCLSA-N 0 3 249.402 3.129 20 0 BGADHN Cc1ncc(CN2CCC[C@@H]2CCC(C)C)n1C ZINC000667688539 487720031 /nfs/dbraw/zinc/72/00/31/487720031.db2.gz WHOBWJQSGUGAIU-CQSZACIVSA-N 0 3 249.402 3.129 20 0 BGADHN CCCn1nccc1CN1CC[C@H](C)C[C@H](C)C1 ZINC000667694876 488090620 /nfs/dbraw/zinc/09/06/20/488090620.db2.gz BJUDYRNLVZRTGX-KBPBESRZSA-N 0 3 249.402 3.161 20 0 BGADHN CCCn1nccc1CN1CC[C@@H](C)C[C@H](C)C1 ZINC000667694877 487721795 /nfs/dbraw/zinc/72/17/95/487721795.db2.gz BJUDYRNLVZRTGX-KGLIPLIRSA-N 0 3 249.402 3.161 20 0 BGADHN CCCn1nccc1CN1CC[C@H](C)C[C@@H](C)C1 ZINC000667694878 487721550 /nfs/dbraw/zinc/72/15/50/487721550.db2.gz BJUDYRNLVZRTGX-UONOGXRCSA-N 0 3 249.402 3.161 20 0 BGADHN CCCn1nccc1CN1CC[C@@H](C)C[C@@H](C)C1 ZINC000667694879 487721609 /nfs/dbraw/zinc/72/16/09/487721609.db2.gz BJUDYRNLVZRTGX-ZIAGYGMSSA-N 0 3 249.402 3.161 20 0 BGADHN CCCCC[C@H]1CCCN1Cc1cnc(C)n1C ZINC000667707242 488095090 /nfs/dbraw/zinc/09/50/90/488095090.db2.gz ULTBFVZHOMCWNA-AWEZNQCLSA-N 0 3 249.402 3.273 20 0 BGADHN CCCCC[C@@H]1CCCN1Cc1cnc(C)n1C ZINC000667707243 488095006 /nfs/dbraw/zinc/09/50/06/488095006.db2.gz ULTBFVZHOMCWNA-CQSZACIVSA-N 0 3 249.402 3.273 20 0 BGADHN COCc1csc(CN(C)CCC2CC2)c1 ZINC000667709193 488095777 /nfs/dbraw/zinc/09/57/77/488095777.db2.gz VOIJWKVGWJOWCW-UHFFFAOYSA-N 0 3 239.384 3.126 20 0 BGADHN c1c2ccncc2sc1CN1CCCCC1 ZINC000667712630 488097277 /nfs/dbraw/zinc/09/72/77/488097277.db2.gz LLBQOAGAINCMGG-UHFFFAOYSA-N 0 3 232.352 3.282 20 0 BGADHN C[C@H](N[C@H]1CO[C@@H](C2CC2)C1)c1ccc(F)cc1 ZINC000667757922 488108395 /nfs/dbraw/zinc/10/83/95/488108395.db2.gz PNOIZIFCKONVAZ-COLVAYQJSA-N 0 3 249.329 3.044 20 0 BGADHN C[C@H](N[C@@H]1CO[C@H](C2CC2)C1)c1ccc(F)cc1 ZINC000667757923 488107867 /nfs/dbraw/zinc/10/78/67/488107867.db2.gz PNOIZIFCKONVAZ-LKTVYLICSA-N 0 3 249.329 3.044 20 0 BGADHN C[C@H](N[C@@H]1CO[C@@H](C2CC2)C1)c1ccc(F)cc1 ZINC000667757924 488107859 /nfs/dbraw/zinc/10/78/59/488107859.db2.gz PNOIZIFCKONVAZ-NZVBXONLSA-N 0 3 249.329 3.044 20 0 BGADHN C[C@H](N[C@H]1CO[C@H](C2CC2)C1)c1ccc(F)cc1 ZINC000667757925 488108070 /nfs/dbraw/zinc/10/80/70/488108070.db2.gz PNOIZIFCKONVAZ-VQISRLSMSA-N 0 3 249.329 3.044 20 0 BGADHN COCc1csc(CN2CC[C@@H]2C(C)C)c1 ZINC000667758668 488108578 /nfs/dbraw/zinc/10/85/78/488108578.db2.gz LEWDAAOVNRPHTK-CYBMUJFWSA-N 0 3 239.384 3.125 20 0 BGADHN COCc1csc(CN2CC[C@H]2C(C)C)c1 ZINC000667758669 488107762 /nfs/dbraw/zinc/10/77/62/488107762.db2.gz LEWDAAOVNRPHTK-ZDUSSCGKSA-N 0 3 239.384 3.125 20 0 BGADHN C[C@H](N[C@@H]1CO[C@@H](C2CC2)C1)c1ccccc1F ZINC000667763741 488111758 /nfs/dbraw/zinc/11/17/58/488111758.db2.gz IKHVBZAVTAIBQS-ITDIGPHOSA-N 0 3 249.329 3.044 20 0 BGADHN C[C@H](N[C@H]1CO[C@@H](C2CC2)C1)c1ccccc1F ZINC000667763742 488111194 /nfs/dbraw/zinc/11/11/94/488111194.db2.gz IKHVBZAVTAIBQS-JVLSTEMRSA-N 0 3 249.329 3.044 20 0 BGADHN C[C@H](N[C@H]1CO[C@H](C2CC2)C1)c1ccccc1F ZINC000667763743 488111016 /nfs/dbraw/zinc/11/10/16/488111016.db2.gz IKHVBZAVTAIBQS-NVBFEUDRSA-N 0 3 249.329 3.044 20 0 BGADHN C[C@H](N[C@@H]1CO[C@H](C2CC2)C1)c1ccccc1F ZINC000667763744 488111439 /nfs/dbraw/zinc/11/14/39/488111439.db2.gz IKHVBZAVTAIBQS-WBIUFABUSA-N 0 3 249.329 3.044 20 0 BGADHN Cc1ccccc1[C@H](C)N[C@H]1CO[C@H](C2CC2)C1 ZINC000667764290 488112285 /nfs/dbraw/zinc/11/22/85/488112285.db2.gz WIIOIVPETOLVFP-BJJXKVORSA-N 0 3 245.366 3.213 20 0 BGADHN Cc1ccccc1[C@H](C)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000667764291 488112656 /nfs/dbraw/zinc/11/26/56/488112656.db2.gz WIIOIVPETOLVFP-DUVNUKRYSA-N 0 3 245.366 3.213 20 0 BGADHN Cc1ccccc1[C@H](C)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000667764292 488112262 /nfs/dbraw/zinc/11/22/62/488112262.db2.gz WIIOIVPETOLVFP-JGGQBBKZSA-N 0 3 245.366 3.213 20 0 BGADHN Cc1ccccc1[C@H](C)N[C@@H]1CO[C@H](C2CC2)C1 ZINC000667764293 487739246 /nfs/dbraw/zinc/73/92/46/487739246.db2.gz WIIOIVPETOLVFP-NOLJZWGESA-N 0 3 245.366 3.213 20 0 BGADHN C[C@H](N[C@H]1CO[C@@H](C2CC2)C1)c1cccc(F)c1 ZINC000667767536 488114430 /nfs/dbraw/zinc/11/44/30/488114430.db2.gz LHLBLFUATRDOEI-COLVAYQJSA-N 0 3 249.329 3.044 20 0 BGADHN C[C@H](N[C@@H]1CO[C@H](C2CC2)C1)c1cccc(F)c1 ZINC000667767537 488115094 /nfs/dbraw/zinc/11/50/94/488115094.db2.gz LHLBLFUATRDOEI-LKTVYLICSA-N 0 3 249.329 3.044 20 0 BGADHN C[C@H](N[C@@H]1CO[C@@H](C2CC2)C1)c1cccc(F)c1 ZINC000667767538 488114813 /nfs/dbraw/zinc/11/48/13/488114813.db2.gz LHLBLFUATRDOEI-NZVBXONLSA-N 0 3 249.329 3.044 20 0 BGADHN C[C@H](N[C@H]1CO[C@H](C2CC2)C1)c1cccc(F)c1 ZINC000667767539 488114856 /nfs/dbraw/zinc/11/48/56/488114856.db2.gz LHLBLFUATRDOEI-VQISRLSMSA-N 0 3 249.329 3.044 20 0 BGADHN Cc1ccc([C@H](C)N[C@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000667794290 488121885 /nfs/dbraw/zinc/12/18/85/488121885.db2.gz DFOASYLCZVOSRE-APHBMKBZSA-N 0 3 245.366 3.213 20 0 BGADHN Cc1ccc([C@H](C)N[C@H]2CO[C@H](C3CC3)C2)cc1 ZINC000667794291 488122316 /nfs/dbraw/zinc/12/23/16/488122316.db2.gz DFOASYLCZVOSRE-MAZHCROVSA-N 0 3 245.366 3.213 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H]2CO[C@H](C3CC3)C2)cc1 ZINC000667794292 488122196 /nfs/dbraw/zinc/12/21/96/488122196.db2.gz DFOASYLCZVOSRE-RCBQFDQVSA-N 0 3 245.366 3.213 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000667794293 488122500 /nfs/dbraw/zinc/12/25/00/488122500.db2.gz DFOASYLCZVOSRE-VBNZEHGJSA-N 0 3 245.366 3.213 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2CO[C@@H](C3CC3)C2)c(C)o1 ZINC000667820681 488128749 /nfs/dbraw/zinc/12/87/49/488128749.db2.gz DUQFWEPXSHYSAC-PSOPSSQASA-N 0 3 249.354 3.115 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CO[C@@H](C3CC3)C2)c(C)o1 ZINC000667820682 488128783 /nfs/dbraw/zinc/12/87/83/488128783.db2.gz DUQFWEPXSHYSAC-VZJVUDMVSA-N 0 3 249.354 3.115 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CO[C@H](C3CC3)C2)c(C)o1 ZINC000667820683 488129235 /nfs/dbraw/zinc/12/92/35/488129235.db2.gz DUQFWEPXSHYSAC-XEGUGMAKSA-N 0 3 249.354 3.115 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2CO[C@H](C3CC3)C2)c(C)o1 ZINC000667820684 487744970 /nfs/dbraw/zinc/74/49/70/487744970.db2.gz DUQFWEPXSHYSAC-ZBINZKHDSA-N 0 3 249.354 3.115 20 0 BGADHN C[C@@H](N[C@@H]1CCCC12CC2)c1nccs1 ZINC000667834797 488132258 /nfs/dbraw/zinc/13/22/58/488132258.db2.gz ADECBYFLXAOKGM-NXEZZACHSA-N 0 3 222.357 3.126 20 0 BGADHN C[C@H](N[C@H]1CCCC12CC2)c1nccs1 ZINC000667834798 488132466 /nfs/dbraw/zinc/13/24/66/488132466.db2.gz ADECBYFLXAOKGM-UWVGGRQHSA-N 0 3 222.357 3.126 20 0 BGADHN C[C@H](N[C@@H]1CCCC12CC2)c1nccs1 ZINC000667834799 488131951 /nfs/dbraw/zinc/13/19/51/488131951.db2.gz ADECBYFLXAOKGM-VHSXEESVSA-N 0 3 222.357 3.126 20 0 BGADHN C[C@@H](N[C@H]1CCCC12CC2)c1nccs1 ZINC000667834800 488131868 /nfs/dbraw/zinc/13/18/68/488131868.db2.gz ADECBYFLXAOKGM-ZJUUUORDSA-N 0 3 222.357 3.126 20 0 BGADHN CC(C)c1cc(CN[C@@H]2CCC[C@@H]3C[C@@H]32)on1 ZINC000667862079 488141779 /nfs/dbraw/zinc/14/17/79/488141779.db2.gz LEZCLCKAEBMVSC-KGYLQXTDSA-N 0 3 234.343 3.076 20 0 BGADHN CC(C)c1cc(CN[C@H]2CCC[C@@H]3C[C@@H]32)on1 ZINC000667862080 488141072 /nfs/dbraw/zinc/14/10/72/488141072.db2.gz LEZCLCKAEBMVSC-WXHSDQCUSA-N 0 3 234.343 3.076 20 0 BGADHN CCc1noc(CC)c1CN[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000667910504 488153528 /nfs/dbraw/zinc/15/35/28/488153528.db2.gz RIHMBUGGMLCNCA-SUNKGSAMSA-N 0 3 248.370 3.078 20 0 BGADHN CCc1noc(CC)c1CN[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000667910505 488153287 /nfs/dbraw/zinc/15/32/87/488153287.db2.gz RIHMBUGGMLCNCA-UHIISALHSA-N 0 3 248.370 3.078 20 0 BGADHN Cc1cc(C)nc(N[C@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000667912299 488154313 /nfs/dbraw/zinc/15/43/13/488154313.db2.gz DEAAHNCZRWPQSU-AGIUHOORSA-N 0 3 216.328 3.299 20 0 BGADHN Cc1cc(C)nc(N[C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000667912300 488154230 /nfs/dbraw/zinc/15/42/30/488154230.db2.gz DEAAHNCZRWPQSU-FRRDWIJNSA-N 0 3 216.328 3.299 20 0 BGADHN CCOc1ccc(CN2CC=CCC2)c(C)c1 ZINC000667946544 488164185 /nfs/dbraw/zinc/16/41/85/488164185.db2.gz NUXBJKZRNUIVLR-UHFFFAOYSA-N 0 3 231.339 3.156 20 0 BGADHN c1c2ccncc2sc1CN1CC=CCC1 ZINC000667946754 488165073 /nfs/dbraw/zinc/16/50/73/488165073.db2.gz VZAYQWBZLSXQNA-UHFFFAOYSA-N 0 3 230.336 3.058 20 0 BGADHN CCCn1nccc1CN1C[C@H](C)CC(C)(C)C1 ZINC000667969455 488171001 /nfs/dbraw/zinc/17/10/01/488171001.db2.gz LGXRCFGDYGFYJA-CYBMUJFWSA-N 0 3 249.402 3.161 20 0 BGADHN CCCn1nccc1CN1C[C@@H](C)CC(C)(C)C1 ZINC000667969457 488170545 /nfs/dbraw/zinc/17/05/45/488170545.db2.gz LGXRCFGDYGFYJA-ZDUSSCGKSA-N 0 3 249.402 3.161 20 0 BGADHN CCCn1nccc1CN(C)C[C@H]1CC=CCC1 ZINC000667970327 488172141 /nfs/dbraw/zinc/17/21/41/488172141.db2.gz GANMAZKRTWAEMJ-AWEZNQCLSA-N 0 3 247.386 3.081 20 0 BGADHN CCCn1nccc1CN(C)C[C@@H]1CC=CCC1 ZINC000667970328 488172043 /nfs/dbraw/zinc/17/20/43/488172043.db2.gz GANMAZKRTWAEMJ-CQSZACIVSA-N 0 3 247.386 3.081 20 0 BGADHN CCCn1nccc1CN1CC[C@@H](C(C)(C)C)C1 ZINC000667972255 488172570 /nfs/dbraw/zinc/17/25/70/488172570.db2.gz KPQWPNUMZYFGPU-CYBMUJFWSA-N 0 3 249.402 3.161 20 0 BGADHN CCCn1nccc1CN1CC[C@H](C(C)(C)C)C1 ZINC000667972256 488172924 /nfs/dbraw/zinc/17/29/24/488172924.db2.gz KPQWPNUMZYFGPU-ZDUSSCGKSA-N 0 3 249.402 3.161 20 0 BGADHN C[C@@H](O)CN(C)Cc1cccc(C2CCCC2)c1 ZINC000667977601 488174182 /nfs/dbraw/zinc/17/41/82/488174182.db2.gz CBPJAAYBKZGKKR-CYBMUJFWSA-N 0 3 247.382 3.157 20 0 BGADHN C[C@H](O)CN(C)Cc1cccc(C2CCCC2)c1 ZINC000667977602 488173604 /nfs/dbraw/zinc/17/36/04/488173604.db2.gz CBPJAAYBKZGKKR-ZDUSSCGKSA-N 0 3 247.382 3.157 20 0 BGADHN c1cc(CNC2CCC(C3CCC3)CC2)on1 ZINC000667978615 488173990 /nfs/dbraw/zinc/17/39/90/488173990.db2.gz IVGLEYRGIUZOCQ-UHFFFAOYSA-N 0 3 234.343 3.123 20 0 BGADHN CCC[C@H]1CCCCN1Cc1ccnn1CCC ZINC000667984084 488176311 /nfs/dbraw/zinc/17/63/11/488176311.db2.gz JLQDSVUUSYKSDR-AWEZNQCLSA-N 0 3 249.402 3.448 20 0 BGADHN CCC[C@@H]1CCCCN1Cc1ccnn1CCC ZINC000667984085 488175856 /nfs/dbraw/zinc/17/58/56/488175856.db2.gz JLQDSVUUSYKSDR-CQSZACIVSA-N 0 3 249.402 3.448 20 0 BGADHN CCCn1nccc1CN1CC[C@@H](C)C(C)(C)C1 ZINC000667987335 488177081 /nfs/dbraw/zinc/17/70/81/488177081.db2.gz DLHDQIBMGHPAAJ-CYBMUJFWSA-N 0 3 249.402 3.161 20 0 BGADHN CCCn1nccc1CN1CC[C@H](C)C(C)(C)C1 ZINC000667987336 488176864 /nfs/dbraw/zinc/17/68/64/488176864.db2.gz DLHDQIBMGHPAAJ-ZDUSSCGKSA-N 0 3 249.402 3.161 20 0 BGADHN CCC1(CC)CCN(Cc2cnc(C)n2C)CC1 ZINC000668007410 488183058 /nfs/dbraw/zinc/18/30/58/488183058.db2.gz SXYRJDQBJCLGQP-UHFFFAOYSA-N 0 3 249.402 3.131 20 0 BGADHN CCCn1nccc1CN1CCC[C@H](C(C)C)C1 ZINC000668030440 488190726 /nfs/dbraw/zinc/19/07/26/488190726.db2.gz SDCKSEFYLKVXTD-AWEZNQCLSA-N 0 3 249.402 3.161 20 0 BGADHN CCCn1nccc1CN1CCC[C@@H](C(C)C)C1 ZINC000668030441 488190971 /nfs/dbraw/zinc/19/09/71/488190971.db2.gz SDCKSEFYLKVXTD-CQSZACIVSA-N 0 3 249.402 3.161 20 0 BGADHN CCCn1nccc1CN1C[C@H](C)C[C@H](C)[C@H]1C ZINC000668047587 487820893 /nfs/dbraw/zinc/82/08/93/487820893.db2.gz GFXPHFVLGCAHRG-HZSPNIEDSA-N 0 3 249.402 3.160 20 0 BGADHN CCCn1nccc1CN1C[C@H](C)C[C@@H](C)[C@@H]1C ZINC000668047588 487821036 /nfs/dbraw/zinc/82/10/36/487821036.db2.gz GFXPHFVLGCAHRG-MCIONIFRSA-N 0 3 249.402 3.160 20 0 BGADHN CCCn1nccc1CN1C[C@H](C)C[C@@H](C)[C@H]1C ZINC000668047589 487820923 /nfs/dbraw/zinc/82/09/23/487820923.db2.gz GFXPHFVLGCAHRG-MGPQQGTHSA-N 0 3 249.402 3.160 20 0 BGADHN CCCn1nccc1CN1C[C@H](C)C[C@H](C)[C@@H]1C ZINC000668047590 487820767 /nfs/dbraw/zinc/82/07/67/487820767.db2.gz GFXPHFVLGCAHRG-RDBSUJKOSA-N 0 3 249.402 3.160 20 0 BGADHN CCCn1nccc1CN1CC2(CCC2)C[C@H]1C ZINC000668063985 488197085 /nfs/dbraw/zinc/19/70/85/488197085.db2.gz BWCHGQALEYITBD-CYBMUJFWSA-N 0 3 247.386 3.058 20 0 BGADHN CCCn1nccc1CN1CC2(CCC2)C[C@@H]1C ZINC000668063986 488197163 /nfs/dbraw/zinc/19/71/63/488197163.db2.gz BWCHGQALEYITBD-ZDUSSCGKSA-N 0 3 247.386 3.058 20 0 BGADHN CCCn1nccc1CN(CC1CCC1)C(C)C ZINC000668069370 488197957 /nfs/dbraw/zinc/19/79/57/488197957.db2.gz OKVKECMXEWOPHK-UHFFFAOYSA-N 0 3 249.402 3.304 20 0 BGADHN Cc1ncc(CN(C)[C@@H](C)C2CCCCC2)n1C ZINC000668076507 490327236 /nfs/dbraw/zinc/32/72/36/490327236.db2.gz OXDSXKSMJFFHFZ-LBPRGKRZSA-N 0 3 249.402 3.129 20 0 BGADHN CCCn1nccc1CN(C)C1(C)CCCC1 ZINC000668080907 488198754 /nfs/dbraw/zinc/19/87/54/488198754.db2.gz NLZBEICMSXBDQJ-UHFFFAOYSA-N 0 3 235.375 3.058 20 0 BGADHN CN(Cc1ccnn1CC1CC1)C1(C)CCCC1 ZINC000668081310 487828576 /nfs/dbraw/zinc/82/85/76/487828576.db2.gz WJDVQKKMGFMMKZ-UHFFFAOYSA-N 0 3 247.386 3.058 20 0 BGADHN Cc1cccc2[nH]c(CN3[C@@H](C)C[C@@H]3C)cc21 ZINC000668090273 487834811 /nfs/dbraw/zinc/83/48/11/487834811.db2.gz JKCPWEZTKJCKCN-RYUDHWBXSA-N 0 3 228.339 3.459 20 0 BGADHN Cc1cccc2[nH]c(CN3[C@H](C)C[C@@H]3C)cc21 ZINC000668090274 487834394 /nfs/dbraw/zinc/83/43/94/487834394.db2.gz JKCPWEZTKJCKCN-TXEJJXNPSA-N 0 3 228.339 3.459 20 0 BGADHN Cc1cccc2[nH]c(CN3[C@H](C)C[C@H]3C)cc21 ZINC000668090275 487834999 /nfs/dbraw/zinc/83/49/99/487834999.db2.gz JKCPWEZTKJCKCN-VXGBXAGGSA-N 0 3 228.339 3.459 20 0 BGADHN CC(C)C1CN(Cc2cc3ccncc3s2)C1 ZINC000668090339 487835058 /nfs/dbraw/zinc/83/50/58/487835058.db2.gz LBYDGUDUYMEUCM-UHFFFAOYSA-N 0 3 246.379 3.384 20 0 BGADHN CCOc1ccc(CN2[C@H](C)C[C@@H]2C)c(C)c1 ZINC000668090509 487834334 /nfs/dbraw/zinc/83/43/34/487834334.db2.gz MLKHAMISSWMOJM-BETUJISGSA-N 0 3 233.355 3.376 20 0 BGADHN CCOc1ccc(CN2[C@H](C)C[C@H]2C)c(C)c1 ZINC000668090510 487834937 /nfs/dbraw/zinc/83/49/37/487834937.db2.gz MLKHAMISSWMOJM-CHWSQXEVSA-N 0 3 233.355 3.376 20 0 BGADHN CCOc1ccc(CN2[C@@H](C)C[C@@H]2C)c(C)c1 ZINC000668090511 487834706 /nfs/dbraw/zinc/83/47/06/487834706.db2.gz MLKHAMISSWMOJM-STQMWFEESA-N 0 3 233.355 3.376 20 0 BGADHN C[C@@H]1C[C@H](C)N1Cc1cc2ccncc2s1 ZINC000668090696 487834364 /nfs/dbraw/zinc/83/43/64/487834364.db2.gz QKQRDWOSCDZUOK-AOOOYVTPSA-N 0 3 232.352 3.279 20 0 BGADHN C[C@@H]1C[C@@H](C)N1Cc1cc2ccncc2s1 ZINC000668090697 487834513 /nfs/dbraw/zinc/83/45/13/487834513.db2.gz QKQRDWOSCDZUOK-NXEZZACHSA-N 0 3 232.352 3.279 20 0 BGADHN C[C@H]1C[C@H](C)N1Cc1cc2ccncc2s1 ZINC000668090698 487834644 /nfs/dbraw/zinc/83/46/44/487834644.db2.gz QKQRDWOSCDZUOK-UWVGGRQHSA-N 0 3 232.352 3.279 20 0 BGADHN Cc1ccc2cc(CN3[C@@H](C)C[C@@H]3C)[nH]c2c1 ZINC000668091098 488201155 /nfs/dbraw/zinc/20/11/55/488201155.db2.gz ZZFNAKKXDSSTMD-RYUDHWBXSA-N 0 3 228.339 3.459 20 0 BGADHN Cc1ccc2cc(CN3[C@H](C)C[C@@H]3C)[nH]c2c1 ZINC000668091099 488201341 /nfs/dbraw/zinc/20/13/41/488201341.db2.gz ZZFNAKKXDSSTMD-TXEJJXNPSA-N 0 3 228.339 3.459 20 0 BGADHN Cc1ccc2cc(CN3[C@H](C)C[C@H]3C)[nH]c2c1 ZINC000668091100 487834560 /nfs/dbraw/zinc/83/45/60/487834560.db2.gz ZZFNAKKXDSSTMD-VXGBXAGGSA-N 0 3 228.339 3.459 20 0 BGADHN CC(C)c1cccc(CN2CC(C)C2)c1 ZINC000668093356 488202069 /nfs/dbraw/zinc/20/20/69/488202069.db2.gz HXTGBOJYRUDEKN-UHFFFAOYSA-N 0 3 203.329 3.262 20 0 BGADHN CCCOc1ccc(CN2CC(C)C2)c(C)c1 ZINC000668093764 488201870 /nfs/dbraw/zinc/20/18/70/488201870.db2.gz SPOYFTAHXAPGCB-UHFFFAOYSA-N 0 3 233.355 3.236 20 0 BGADHN CCCn1nccc1CN(C)[C@@H]1CCC(C)(C)C1 ZINC000668095300 541410563 /nfs/dbraw/zinc/41/05/63/541410563.db2.gz GAUVGSHVDCDCDU-CYBMUJFWSA-N 0 3 249.402 3.304 20 0 BGADHN CCCn1nccc1CN(C)[C@H]1CCC(C)(C)C1 ZINC000668095301 541410531 /nfs/dbraw/zinc/41/05/31/541410531.db2.gz GAUVGSHVDCDCDU-ZDUSSCGKSA-N 0 3 249.402 3.304 20 0 BGADHN CCCn1nccc1CN(CC1CC1)C1CCC1 ZINC000668097610 488202924 /nfs/dbraw/zinc/20/29/24/488202924.db2.gz OSYIXFUOFQQFQW-UHFFFAOYSA-N 0 3 247.386 3.058 20 0 BGADHN CC1=CCCN(Cc2cc3ccncc3s2)C1 ZINC000668100420 488202689 /nfs/dbraw/zinc/20/26/89/488202689.db2.gz LTCJYGUGPLASMJ-UHFFFAOYSA-N 0 3 244.363 3.448 20 0 BGADHN COCc1csc(CN2CCC=C(C)C2)c1 ZINC000668100784 488203233 /nfs/dbraw/zinc/20/32/33/488203233.db2.gz YCMRVWZZBRBMCR-UHFFFAOYSA-N 0 3 237.368 3.047 20 0 BGADHN CN(CCCO)Cc1cccc(C2CCCC2)c1 ZINC000668103542 488204050 /nfs/dbraw/zinc/20/40/50/488204050.db2.gz NJJZFOMYUHTHBO-UHFFFAOYSA-N 0 3 247.382 3.158 20 0 BGADHN Cc1ncc(CN(C)[C@H](C)C2CCCCC2)n1C ZINC000668111537 488205274 /nfs/dbraw/zinc/20/52/74/488205274.db2.gz OXDSXKSMJFFHFZ-GFCCVEGCSA-N 0 3 249.402 3.129 20 0 BGADHN CCCn1nccc1CN(C)[C@@H]1CCCC[C@@H]1C ZINC000668115546 487843610 /nfs/dbraw/zinc/84/36/10/487843610.db2.gz AXYVATHZHRCXMB-DZGCQCFKSA-N 0 3 249.402 3.304 20 0 BGADHN CCCn1nccc1CN(C)[C@H]1CCCC[C@H]1C ZINC000668115547 487843421 /nfs/dbraw/zinc/84/34/21/487843421.db2.gz AXYVATHZHRCXMB-HIFRSBDPSA-N 0 3 249.402 3.304 20 0 BGADHN CCCn1nccc1CN(C)[C@@H]1CCCC[C@H]1C ZINC000668115548 487843566 /nfs/dbraw/zinc/84/35/66/487843566.db2.gz AXYVATHZHRCXMB-UKRRQHHQSA-N 0 3 249.402 3.304 20 0 BGADHN CCCn1nccc1CN(C)[C@H]1CCCC[C@@H]1C ZINC000668115549 487843505 /nfs/dbraw/zinc/84/35/05/487843505.db2.gz AXYVATHZHRCXMB-ZFWWWQNUSA-N 0 3 249.402 3.304 20 0 BGADHN CCCn1nccc1CN1CCC2(CCC2)CC1 ZINC000668147794 488209924 /nfs/dbraw/zinc/20/99/24/488209924.db2.gz VZHSOWOZHBGVMW-UHFFFAOYSA-N 0 3 247.386 3.059 20 0 BGADHN C[C@@H](CO)N(C)Cc1cccc(C2CCCC2)c1 ZINC000668162684 488211523 /nfs/dbraw/zinc/21/15/23/488211523.db2.gz FJBUSYGOYPBIMP-ZDUSSCGKSA-N 0 3 247.382 3.157 20 0 BGADHN C[C@H](CO)N(C)Cc1cccc(C2CCCC2)c1 ZINC000668163633 488211954 /nfs/dbraw/zinc/21/19/54/488211954.db2.gz FJBUSYGOYPBIMP-CYBMUJFWSA-N 0 3 247.382 3.157 20 0 BGADHN CCCn1nccc1CN1[C@H](C)CC[C@H]1CC ZINC000668172282 488213833 /nfs/dbraw/zinc/21/38/33/488213833.db2.gz JMBHPRDHGDBLBN-CHWSQXEVSA-N 0 3 235.375 3.056 20 0 BGADHN CCCn1nccc1CN1[C@H](C)CC[C@@H]1CC ZINC000668172283 488213789 /nfs/dbraw/zinc/21/37/89/488213789.db2.gz JMBHPRDHGDBLBN-OLZOCXBDSA-N 0 3 235.375 3.056 20 0 BGADHN CCCn1nccc1CN1[C@H](CC)CC[C@@H]1C ZINC000668172284 488213685 /nfs/dbraw/zinc/21/36/85/488213685.db2.gz JMBHPRDHGDBLBN-QWHCGFSZSA-N 0 3 235.375 3.056 20 0 BGADHN CCCn1nccc1CN1[C@@H](C)CC[C@@H]1CC ZINC000668172285 488213659 /nfs/dbraw/zinc/21/36/59/488213659.db2.gz JMBHPRDHGDBLBN-STQMWFEESA-N 0 3 235.375 3.056 20 0 BGADHN CC[C@@H]1CC[C@H](C)N1Cc1ccnn1CC1CC1 ZINC000668172946 487862806 /nfs/dbraw/zinc/86/28/06/487862806.db2.gz XNFOTNVNJHSDRH-GXTWGEPZSA-N 0 3 247.386 3.056 20 0 BGADHN CC[C@H]1CC[C@H](C)N1Cc1ccnn1CC1CC1 ZINC000668172947 487862394 /nfs/dbraw/zinc/86/23/94/487862394.db2.gz XNFOTNVNJHSDRH-JSGCOSHPSA-N 0 3 247.386 3.056 20 0 BGADHN CC[C@H]1CC[C@@H](C)N1Cc1ccnn1CC1CC1 ZINC000668172948 487862826 /nfs/dbraw/zinc/86/28/26/487862826.db2.gz XNFOTNVNJHSDRH-OCCSQVGLSA-N 0 3 247.386 3.056 20 0 BGADHN CC[C@@H]1CC[C@@H](C)N1Cc1ccnn1CC1CC1 ZINC000668172949 487862505 /nfs/dbraw/zinc/86/25/05/487862505.db2.gz XNFOTNVNJHSDRH-TZMCWYRMSA-N 0 3 247.386 3.056 20 0 BGADHN CCC(CC)N(CC)Cc1ccnn1CC1CC1 ZINC000668175940 488215091 /nfs/dbraw/zinc/21/50/91/488215091.db2.gz DBGUFEHHTNTUOF-UHFFFAOYSA-N 0 3 249.402 3.304 20 0 BGADHN CCCn1nccc1CN(CC)C(CC)CC ZINC000668176451 488215246 /nfs/dbraw/zinc/21/52/46/488215246.db2.gz VYEJDQRVPGFOOO-UHFFFAOYSA-N 0 3 237.391 3.304 20 0 BGADHN CCCC[C@@H](C)N(C)Cc1ccnn1CC1CC1 ZINC000668180935 488215741 /nfs/dbraw/zinc/21/57/41/488215741.db2.gz CWVRJVMODRQSKJ-CYBMUJFWSA-N 0 3 249.402 3.304 20 0 BGADHN CCCC[C@H](C)N(C)Cc1ccnn1CC1CC1 ZINC000668180936 488216284 /nfs/dbraw/zinc/21/62/84/488216284.db2.gz CWVRJVMODRQSKJ-ZDUSSCGKSA-N 0 3 249.402 3.304 20 0 BGADHN CCCC[C@@H](C)N(C)Cc1ccnn1CCC ZINC000668181274 488215938 /nfs/dbraw/zinc/21/59/38/488215938.db2.gz IRHWCJGBUJVQFS-CYBMUJFWSA-N 0 3 237.391 3.304 20 0 BGADHN CCCC[C@H](C)N(C)Cc1ccnn1CCC ZINC000668181275 488216054 /nfs/dbraw/zinc/21/60/54/488216054.db2.gz IRHWCJGBUJVQFS-ZDUSSCGKSA-N 0 3 237.391 3.304 20 0 BGADHN CCCC[C@@H](C)N(C)Cc1c(C2CC2)cnn1C ZINC000668181503 488215949 /nfs/dbraw/zinc/21/59/49/488215949.db2.gz LLCQGZHOSNGLOO-GFCCVEGCSA-N 0 3 249.402 3.308 20 0 BGADHN CCCC[C@H](C)N(C)Cc1c(C2CC2)cnn1C ZINC000668181504 488215912 /nfs/dbraw/zinc/21/59/12/488215912.db2.gz LLCQGZHOSNGLOO-LBPRGKRZSA-N 0 3 249.402 3.308 20 0 BGADHN Cc1cccc2[nH]c(CN3CC(C4CC4)C3)cc21 ZINC000668182342 488216334 /nfs/dbraw/zinc/21/63/34/488216334.db2.gz BXBPNZSMJRCFAY-UHFFFAOYSA-N 0 3 240.350 3.318 20 0 BGADHN c1c2ccncc2sc1CN1CC(C2CC2)C1 ZINC000668182373 488215985 /nfs/dbraw/zinc/21/59/85/488215985.db2.gz CZZYPVFXRIUFQQ-UHFFFAOYSA-N 0 3 244.363 3.138 20 0 BGADHN CCOc1ccc(CN2CC(C3CC3)C2)c(C)c1 ZINC000668182648 488215840 /nfs/dbraw/zinc/21/58/40/488215840.db2.gz JZUFVEFTGPLHBO-UHFFFAOYSA-N 0 3 245.366 3.236 20 0 BGADHN Cc1ccc2cc(CN3CC(C4CC4)C3)[nH]c2c1 ZINC000668182924 488215878 /nfs/dbraw/zinc/21/58/78/488215878.db2.gz ROTFBJXAJCSXAW-UHFFFAOYSA-N 0 3 240.350 3.318 20 0 BGADHN CCN(Cc1ccnn1CC1CC1)CC(C)(C)C ZINC000668183344 488216893 /nfs/dbraw/zinc/21/68/93/488216893.db2.gz BGTUJBPEZVRKTP-UHFFFAOYSA-N 0 3 249.402 3.161 20 0 BGADHN CCCn1nccc1CN(CC)CC(C)(C)C ZINC000668183857 487866409 /nfs/dbraw/zinc/86/64/09/487866409.db2.gz RBXVGVOOLKOBMP-UHFFFAOYSA-N 0 3 237.391 3.161 20 0 BGADHN CCN(Cc1c(C2CC2)cnn1C)CC(C)(C)C ZINC000668184084 488216678 /nfs/dbraw/zinc/21/66/78/488216678.db2.gz ZPSDDEKNWXKFGX-UHFFFAOYSA-N 0 3 249.402 3.166 20 0 BGADHN CCCn1nccc1CN(C1CCC1)C1CCC1 ZINC000668189016 491118372 /nfs/dbraw/zinc/11/83/72/491118372.db2.gz WCSDMLKOJKKTJD-UHFFFAOYSA-N 0 3 247.386 3.200 20 0 BGADHN CCOc1ccc(CN2CC[C@@H]2CC)c(C)c1 ZINC000668189468 488218678 /nfs/dbraw/zinc/21/86/78/488218678.db2.gz FOFZRBGADDAGTJ-AWEZNQCLSA-N 0 3 233.355 3.378 20 0 BGADHN CCOc1ccc(CN2CC[C@H]2CC)c(C)c1 ZINC000668189469 488218468 /nfs/dbraw/zinc/21/84/68/488218468.db2.gz FOFZRBGADDAGTJ-CQSZACIVSA-N 0 3 233.355 3.378 20 0 BGADHN CC[C@@H]1CCN1Cc1cc2c(cccc2C)[nH]1 ZINC000668189499 488218735 /nfs/dbraw/zinc/21/87/35/488218735.db2.gz GQAYJLGOGHPYMX-CYBMUJFWSA-N 0 3 228.339 3.461 20 0 BGADHN CC[C@H]1CCN1Cc1cc2c(cccc2C)[nH]1 ZINC000668189500 488218718 /nfs/dbraw/zinc/21/87/18/488218718.db2.gz GQAYJLGOGHPYMX-ZDUSSCGKSA-N 0 3 228.339 3.461 20 0 BGADHN CC[C@@H]1CCN1Cc1cc2ccncc2s1 ZINC000668189936 488218794 /nfs/dbraw/zinc/21/87/94/488218794.db2.gz UWXUSKMWHIUDRB-LLVKDONJSA-N 0 3 232.352 3.281 20 0 BGADHN CC[C@H]1CCN1Cc1cc2ccncc2s1 ZINC000668189937 488218750 /nfs/dbraw/zinc/21/87/50/488218750.db2.gz UWXUSKMWHIUDRB-NSHDSACASA-N 0 3 232.352 3.281 20 0 BGADHN CC[C@H]1CCN1Cc1cc2ccc(C)cc2[nH]1 ZINC000668190023 488218965 /nfs/dbraw/zinc/21/89/65/488218965.db2.gz XMTPJYUHZWZJRO-AWEZNQCLSA-N 0 3 228.339 3.461 20 0 BGADHN CC[C@@H]1CCN1Cc1cc2ccc(C)cc2[nH]1 ZINC000668190024 488218457 /nfs/dbraw/zinc/21/84/57/488218457.db2.gz XMTPJYUHZWZJRO-CQSZACIVSA-N 0 3 228.339 3.461 20 0 BGADHN Cc1cccc2[nH]c(CN3CC[C@H]3C3CC3)cc21 ZINC000668208675 488225137 /nfs/dbraw/zinc/22/51/37/488225137.db2.gz GQVRDVOMZMYYRK-INIZCTEOSA-N 0 3 240.350 3.461 20 0 BGADHN Cc1cccc2[nH]c(CN3CC[C@@H]3C3CC3)cc21 ZINC000668208676 488224912 /nfs/dbraw/zinc/22/49/12/488224912.db2.gz GQVRDVOMZMYYRK-MRXNPFEDSA-N 0 3 240.350 3.461 20 0 BGADHN CCOc1ccc(CN2CC[C@H]2C2CC2)c(C)c1 ZINC000668208861 487876660 /nfs/dbraw/zinc/87/66/60/487876660.db2.gz MDVMNERAAHMABB-INIZCTEOSA-N 0 3 245.366 3.378 20 0 BGADHN CCOc1ccc(CN2CC[C@@H]2C2CC2)c(C)c1 ZINC000668208862 487876847 /nfs/dbraw/zinc/87/68/47/487876847.db2.gz MDVMNERAAHMABB-MRXNPFEDSA-N 0 3 245.366 3.378 20 0 BGADHN Cc1ccc2cc(CN3CC[C@H]3C3CC3)[nH]c2c1 ZINC000668208893 488225275 /nfs/dbraw/zinc/22/52/75/488225275.db2.gz MYJGUKCBHHZNAB-INIZCTEOSA-N 0 3 240.350 3.461 20 0 BGADHN Cc1ccc2cc(CN3CC[C@@H]3C3CC3)[nH]c2c1 ZINC000668208894 488225233 /nfs/dbraw/zinc/22/52/33/488225233.db2.gz MYJGUKCBHHZNAB-MRXNPFEDSA-N 0 3 240.350 3.461 20 0 BGADHN c1c2ccncc2sc1CN1CC[C@@H]1C1CC1 ZINC000668209184 488225816 /nfs/dbraw/zinc/22/58/16/488225816.db2.gz VVYOQFMPQPMIMC-CYBMUJFWSA-N 0 3 244.363 3.281 20 0 BGADHN c1c2ccncc2sc1CN1CC[C@H]1C1CC1 ZINC000668209185 488225831 /nfs/dbraw/zinc/22/58/31/488225831.db2.gz VVYOQFMPQPMIMC-ZDUSSCGKSA-N 0 3 244.363 3.281 20 0 BGADHN CC(C)n1ccnc1CNC12CCC(CC1)CC2 ZINC000668219198 488230126 /nfs/dbraw/zinc/23/01/26/488230126.db2.gz FUHMRTZYQWPSQJ-UHFFFAOYSA-N 0 3 247.386 3.276 20 0 BGADHN CCCn1nccc1CN1C[C@@H](CC)CC[C@H]1C ZINC000668226343 487485174 /nfs/dbraw/zinc/48/51/74/487485174.db2.gz JTSZDHXFVZQMPQ-KGLIPLIRSA-N 0 3 249.402 3.304 20 0 BGADHN Cc1ncc(CN(C(C)C)C2CC(C)(C)C2)n1C ZINC000668228703 487489804 /nfs/dbraw/zinc/48/98/04/487489804.db2.gz PGJBCXUFFSSOCM-UHFFFAOYSA-N 0 3 249.402 3.128 20 0 BGADHN Cc1cccc([C@H](C)N[C@H]2CO[C@@H](C3CC3)C2)c1 ZINC000668228705 487490096 /nfs/dbraw/zinc/49/00/96/487490096.db2.gz PITUDYCEXBNCCG-APHBMKBZSA-N 0 3 245.366 3.213 20 0 BGADHN Cc1cccc([C@H](C)N[C@H]2CO[C@H](C3CC3)C2)c1 ZINC000668228706 487490255 /nfs/dbraw/zinc/49/02/55/487490255.db2.gz PITUDYCEXBNCCG-MAZHCROVSA-N 0 3 245.366 3.213 20 0 BGADHN Cc1cccc([C@H](C)N[C@@H]2CO[C@H](C3CC3)C2)c1 ZINC000668228707 487490439 /nfs/dbraw/zinc/49/04/39/487490439.db2.gz PITUDYCEXBNCCG-RCBQFDQVSA-N 0 3 245.366 3.213 20 0 BGADHN Cc1cccc([C@H](C)N[C@@H]2CO[C@@H](C3CC3)C2)c1 ZINC000668228708 487489871 /nfs/dbraw/zinc/48/98/71/487489871.db2.gz PITUDYCEXBNCCG-VBNZEHGJSA-N 0 3 245.366 3.213 20 0 BGADHN CCC1CN(Cc2cc3ccc(C)cc3[nH]2)C1 ZINC000668229352 487491485 /nfs/dbraw/zinc/49/14/85/487491485.db2.gz FPBXIQVYNXNPCW-UHFFFAOYSA-N 0 3 228.339 3.318 20 0 BGADHN CCC1CN(Cc2cc3c(cccc3C)[nH]2)C1 ZINC000668229604 487493000 /nfs/dbraw/zinc/49/30/00/487493000.db2.gz NQHOXVYLIFDFQA-UHFFFAOYSA-N 0 3 228.339 3.318 20 0 BGADHN CCOc1ccc(CN2CC(CC)C2)c(C)c1 ZINC000668229915 490041910 /nfs/dbraw/zinc/04/19/10/490041910.db2.gz ZFCGLEQNYHZFPZ-UHFFFAOYSA-N 0 3 233.355 3.236 20 0 BGADHN CC(C)c1cccc(CN2CC(C(C)(C)O)C2)c1 ZINC000668232219 487500078 /nfs/dbraw/zinc/50/00/78/487500078.db2.gz HHPUHRXYADBWQX-UHFFFAOYSA-N 0 3 247.382 3.013 20 0 BGADHN COCC1(C)CN(Cc2cccc(C(C)C)c2)C1 ZINC000668233635 487506468 /nfs/dbraw/zinc/50/64/68/487506468.db2.gz GGXRHEVGQKGBPA-UHFFFAOYSA-N 0 3 247.382 3.278 20 0 BGADHN CCCn1nccc1CN(CC)C1CC(C)(C)C1 ZINC000668241003 487532942 /nfs/dbraw/zinc/53/29/42/487532942.db2.gz YVJSCUZHIHAZRF-UHFFFAOYSA-N 0 3 249.402 3.304 20 0 BGADHN F[C@]1(c2ccccc2)C[C@H]1N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000668249151 487551940 /nfs/dbraw/zinc/55/19/40/487551940.db2.gz IIFHDGAQNDKQAE-CHUNWDLHSA-N 0 3 245.341 3.402 20 0 BGADHN F[C@]1(c2ccccc2)C[C@@H]1N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000668249152 487552282 /nfs/dbraw/zinc/55/22/82/487552282.db2.gz IIFHDGAQNDKQAE-DGVSKKNDSA-N 0 3 245.341 3.402 20 0 BGADHN F[C@]1(c2ccccc2)C[C@@H]1N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000668249153 487552325 /nfs/dbraw/zinc/55/23/25/487552325.db2.gz IIFHDGAQNDKQAE-GAUGTXIDSA-N 0 3 245.341 3.402 20 0 BGADHN F[C@]1(c2ccccc2)C[C@H]1N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000668249154 487552252 /nfs/dbraw/zinc/55/22/52/487552252.db2.gz IIFHDGAQNDKQAE-ZIRHEVKLSA-N 0 3 245.341 3.402 20 0 BGADHN CCCn1nccc1CN1CC[C@@H]2CCCC[C@@H]21 ZINC000668271495 487600245 /nfs/dbraw/zinc/60/02/45/487600245.db2.gz GDJCSDOSYNRQTK-ZFWWWQNUSA-N 0 3 247.386 3.058 20 0 BGADHN CCCn1nccc1CN(C)CCC(C)(C)C ZINC000668274346 490070379 /nfs/dbraw/zinc/07/03/79/490070379.db2.gz AQAFUNWEPWSDGH-UHFFFAOYSA-N 0 3 237.391 3.161 20 0 BGADHN CN(CCC(C)(C)C)Cc1ccnn1CC1CC1 ZINC000668274796 487609792 /nfs/dbraw/zinc/60/97/92/487609792.db2.gz LXGOZCWPXJVHHR-UHFFFAOYSA-N 0 3 249.402 3.161 20 0 BGADHN CN(CCC(C)(C)C)Cc1c(C2CC2)cnn1C ZINC000668274870 487609159 /nfs/dbraw/zinc/60/91/59/487609159.db2.gz NNAQPGDBVZZXOO-UHFFFAOYSA-N 0 3 249.402 3.166 20 0 BGADHN CCCN(Cc1c(C2CCC2)cnn1C)C(C)C ZINC000668295636 487632181 /nfs/dbraw/zinc/63/21/81/487632181.db2.gz VTDMHEKUURAZPF-UHFFFAOYSA-N 0 3 249.402 3.308 20 0 BGADHN c1c2cccnc2oc1CN1C[C@@H]2CCCC[C@@H]21 ZINC000668298563 487634314 /nfs/dbraw/zinc/63/43/14/487634314.db2.gz CRWGDSPAYSCKAG-JSGCOSHPSA-N 0 3 242.322 3.202 20 0 BGADHN Cc1nn(C(C)C)cc1CN1C[C@@H]2CCCC[C@@H]21 ZINC000668298781 487634847 /nfs/dbraw/zinc/63/48/47/487634847.db2.gz KFPLCRYKGIBXMU-ZFWWWQNUSA-N 0 3 247.386 3.147 20 0 BGADHN COc1cc(C)ccc1CN1C[C@@H]2CCCC[C@@H]21 ZINC000668299009 487634660 /nfs/dbraw/zinc/63/46/60/487634660.db2.gz QMPZDYIEAOVYGA-ZFWWWQNUSA-N 0 3 245.366 3.378 20 0 BGADHN c1nc(C2CC2)c(CN2C[C@@H]3CCCC[C@@H]32)s1 ZINC000668299010 487634740 /nfs/dbraw/zinc/63/47/40/487634740.db2.gz QNGHTKHRNJMTMG-RYUDHWBXSA-N 0 3 248.395 3.395 20 0 BGADHN Cc1cc(CN2C[C@@H]3CCCC[C@@H]32)cc(C)c1O ZINC000668299031 487634693 /nfs/dbraw/zinc/63/46/93/487634693.db2.gz RHPBHQPZNUYREY-GJZGRUSLSA-N 0 3 245.366 3.383 20 0 BGADHN c1c2cnccc2oc1CN1C[C@@H]2CCCC[C@@H]21 ZINC000668299092 487634611 /nfs/dbraw/zinc/63/46/11/487634611.db2.gz TYWQDVMTEKPTPN-FZMZJTMJSA-N 0 3 242.322 3.202 20 0 BGADHN Cc1sccc1CN1C[C@@H]2CCCC[C@@H]21 ZINC000668299126 487634547 /nfs/dbraw/zinc/63/45/47/487634547.db2.gz VGTDOVRRKLSRQY-STQMWFEESA-N 0 3 221.369 3.431 20 0 BGADHN CC(C)(C)c1n[nH]cc1CN1C[C@@H]2CCCC[C@@H]21 ZINC000668299498 487634245 /nfs/dbraw/zinc/63/42/45/487634245.db2.gz HTPXMEIHERPMRN-AAEUAGOBSA-N 0 3 247.386 3.082 20 0 BGADHN COc1ccccc1CN1C[C@@H]2CCCC[C@@H]21 ZINC000668299527 487634631 /nfs/dbraw/zinc/63/46/31/487634631.db2.gz JKQFKZYWRDZKBH-JSGCOSHPSA-N 0 3 231.339 3.070 20 0 BGADHN COc1ccc(CN2C[C@@H]3CCCC[C@@H]32)cc1C ZINC000668299663 490087108 /nfs/dbraw/zinc/08/71/08/490087108.db2.gz OSDGWWIKEIFAAL-GJZGRUSLSA-N 0 3 245.366 3.378 20 0 BGADHN CCc1ncc(CN2C[C@@H]3CCCC[C@@H]32)s1 ZINC000668299700 487635547 /nfs/dbraw/zinc/63/55/47/487635547.db2.gz PSQHUAMMYCPKDK-JQWIXIFHSA-N 0 3 236.384 3.080 20 0 BGADHN CCc1ccc(CN2C[C@@H]3CCCC[C@@H]32)o1 ZINC000668299821 487636086 /nfs/dbraw/zinc/63/60/86/487636086.db2.gz USYFVSTWSAIFBC-FZMZJTMJSA-N 0 3 219.328 3.216 20 0 BGADHN COc1ccsc1CN1C[C@@H]2CCCC[C@@H]21 ZINC000668299879 487636163 /nfs/dbraw/zinc/63/61/63/487636163.db2.gz WELLCRREUWXIRA-QWRGUYRKSA-N 0 3 237.368 3.131 20 0 BGADHN CCOc1cccc(CN2C[C@@H]3CCCC[C@@H]32)c1 ZINC000668300841 487636106 /nfs/dbraw/zinc/63/61/06/487636106.db2.gz YFMZCDHNFYXSEB-HOCLYGCPSA-N 0 3 245.366 3.460 20 0 BGADHN CN(Cc1cnc[nH]1)C[C@@H]1CCCC(C)(C)C1 ZINC000668421719 487725737 /nfs/dbraw/zinc/72/57/37/487725737.db2.gz CINPDQYLQGHYDH-GFCCVEGCSA-N 0 3 235.375 3.058 20 0 BGADHN CN(Cc1c[nH]cn1)C[C@@H]1CCCC(C)(C)C1 ZINC000668421719 487725734 /nfs/dbraw/zinc/72/57/34/487725734.db2.gz CINPDQYLQGHYDH-GFCCVEGCSA-N 0 3 235.375 3.058 20 0 BGADHN CN(Cc1cnc[nH]1)C[C@H]1CCCC(C)(C)C1 ZINC000668421720 487726331 /nfs/dbraw/zinc/72/63/31/487726331.db2.gz CINPDQYLQGHYDH-LBPRGKRZSA-N 0 3 235.375 3.058 20 0 BGADHN CN(Cc1c[nH]cn1)C[C@H]1CCCC(C)(C)C1 ZINC000668421720 487726327 /nfs/dbraw/zinc/72/63/27/487726327.db2.gz CINPDQYLQGHYDH-LBPRGKRZSA-N 0 3 235.375 3.058 20 0 BGADHN C[C@H](CCN(C)Cc1cnc[nH]1)c1ccccc1 ZINC000668421894 487725344 /nfs/dbraw/zinc/72/53/44/487725344.db2.gz KAUXDCIARMGDAS-CYBMUJFWSA-N 0 3 243.354 3.035 20 0 BGADHN C[C@@H](CCN(C)Cc1cnc[nH]1)c1ccccc1 ZINC000668421895 487725626 /nfs/dbraw/zinc/72/56/26/487725626.db2.gz KAUXDCIARMGDAS-ZDUSSCGKSA-N 0 3 243.354 3.035 20 0 BGADHN CC(C)C1CCC(CN(C)Cc2cnc[nH]2)CC1 ZINC000668422006 487727797 /nfs/dbraw/zinc/72/77/97/487727797.db2.gz MYFVZXIBOQQATE-UHFFFAOYSA-N 0 3 249.402 3.304 20 0 BGADHN CC(C)C1CCC(CN(C)Cc2c[nH]cn2)CC1 ZINC000668422006 487727793 /nfs/dbraw/zinc/72/77/93/487727793.db2.gz MYFVZXIBOQQATE-UHFFFAOYSA-N 0 3 249.402 3.304 20 0 BGADHN CN(CCCC1CCCCC1)Cc1cnc[nH]1 ZINC000668422070 487725472 /nfs/dbraw/zinc/72/54/72/487725472.db2.gz PBOBOMONICSWSM-UHFFFAOYSA-N 0 3 235.375 3.202 20 0 BGADHN CC[C@H](CN(C)Cc1cnc[nH]1)c1ccccc1 ZINC000668422189 487726970 /nfs/dbraw/zinc/72/69/70/487726970.db2.gz SMBUTAUDAIXOHL-CYBMUJFWSA-N 0 3 243.354 3.035 20 0 BGADHN CC[C@H](CN(C)Cc1c[nH]cn1)c1ccccc1 ZINC000668422189 487726967 /nfs/dbraw/zinc/72/69/67/487726967.db2.gz SMBUTAUDAIXOHL-CYBMUJFWSA-N 0 3 243.354 3.035 20 0 BGADHN CC[C@@H](CN(C)Cc1cnc[nH]1)c1ccccc1 ZINC000668422190 487728114 /nfs/dbraw/zinc/72/81/14/487728114.db2.gz SMBUTAUDAIXOHL-ZDUSSCGKSA-N 0 3 243.354 3.035 20 0 BGADHN CC[C@@H](CN(C)Cc1c[nH]cn1)c1ccccc1 ZINC000668422190 487728110 /nfs/dbraw/zinc/72/81/10/487728110.db2.gz SMBUTAUDAIXOHL-ZDUSSCGKSA-N 0 3 243.354 3.035 20 0 BGADHN CC[C@@H]1CCC[C@@H](CN(C)Cc2cnc[nH]2)C1 ZINC000668422248 487728280 /nfs/dbraw/zinc/72/82/80/487728280.db2.gz VVAUHBNPRXHXKW-CHWSQXEVSA-N 0 3 235.375 3.058 20 0 BGADHN CC[C@@H]1CCC[C@@H](CN(C)Cc2c[nH]cn2)C1 ZINC000668422248 487728277 /nfs/dbraw/zinc/72/82/77/487728277.db2.gz VVAUHBNPRXHXKW-CHWSQXEVSA-N 0 3 235.375 3.058 20 0 BGADHN CC[C@@H]1CCC[C@H](CN(C)Cc2cnc[nH]2)C1 ZINC000668422249 487726948 /nfs/dbraw/zinc/72/69/48/487726948.db2.gz VVAUHBNPRXHXKW-OLZOCXBDSA-N 0 3 235.375 3.058 20 0 BGADHN CC[C@@H]1CCC[C@H](CN(C)Cc2c[nH]cn2)C1 ZINC000668422249 487726945 /nfs/dbraw/zinc/72/69/45/487726945.db2.gz VVAUHBNPRXHXKW-OLZOCXBDSA-N 0 3 235.375 3.058 20 0 BGADHN CC[C@H]1CCC[C@@H](CN(C)Cc2cnc[nH]2)C1 ZINC000668422250 487727936 /nfs/dbraw/zinc/72/79/36/487727936.db2.gz VVAUHBNPRXHXKW-QWHCGFSZSA-N 0 3 235.375 3.058 20 0 BGADHN CC[C@H]1CCC[C@@H](CN(C)Cc2c[nH]cn2)C1 ZINC000668422250 487727931 /nfs/dbraw/zinc/72/79/31/487727931.db2.gz VVAUHBNPRXHXKW-QWHCGFSZSA-N 0 3 235.375 3.058 20 0 BGADHN CC[C@H]1CCC[C@H](CN(C)Cc2cnc[nH]2)C1 ZINC000668422251 487727612 /nfs/dbraw/zinc/72/76/12/487727612.db2.gz VVAUHBNPRXHXKW-STQMWFEESA-N 0 3 235.375 3.058 20 0 BGADHN CC[C@H]1CCC[C@H](CN(C)Cc2c[nH]cn2)C1 ZINC000668422251 487727606 /nfs/dbraw/zinc/72/76/06/487727606.db2.gz VVAUHBNPRXHXKW-STQMWFEESA-N 0 3 235.375 3.058 20 0 BGADHN C[C@H](CC1CCCCC1)CN(C)Cc1cnc[nH]1 ZINC000668422286 487728082 /nfs/dbraw/zinc/72/80/82/487728082.db2.gz XEJWWZUNDHVMLO-CYBMUJFWSA-N 0 3 249.402 3.448 20 0 BGADHN C[C@H](CC1CCCCC1)CN(C)Cc1c[nH]cn1 ZINC000668422286 487728076 /nfs/dbraw/zinc/72/80/76/487728076.db2.gz XEJWWZUNDHVMLO-CYBMUJFWSA-N 0 3 249.402 3.448 20 0 BGADHN C[C@@H](CC1CCCCC1)CN(C)Cc1cnc[nH]1 ZINC000668422287 487728328 /nfs/dbraw/zinc/72/83/28/487728328.db2.gz XEJWWZUNDHVMLO-ZDUSSCGKSA-N 0 3 249.402 3.448 20 0 BGADHN C[C@@H](CC1CCCCC1)CN(C)Cc1c[nH]cn1 ZINC000668422287 487728318 /nfs/dbraw/zinc/72/83/18/487728318.db2.gz XEJWWZUNDHVMLO-ZDUSSCGKSA-N 0 3 249.402 3.448 20 0 BGADHN CCCC[C@@H](CC)CCN(C)Cc1cnc[nH]1 ZINC000668422288 487727397 /nfs/dbraw/zinc/72/73/97/487727397.db2.gz XGRRFLYUZNMMCR-CYBMUJFWSA-N 0 3 237.391 3.448 20 0 BGADHN CCCC[C@H](CC)CCN(C)Cc1cnc[nH]1 ZINC000668422289 487727237 /nfs/dbraw/zinc/72/72/37/487727237.db2.gz XGRRFLYUZNMMCR-ZDUSSCGKSA-N 0 3 237.391 3.448 20 0 BGADHN Clc1cc(Cl)cc(CNC2CSC2)c1 ZINC000668425891 490174669 /nfs/dbraw/zinc/17/46/69/490174669.db2.gz BSKAUEXMJMWKGR-UHFFFAOYSA-N 0 3 248.178 3.198 20 0 BGADHN COCCC1CN(Cc2cccc(C(C)C)c2)C1 ZINC000668471569 487795966 /nfs/dbraw/zinc/79/59/66/487795966.db2.gz COYJJHTXZJVBJL-UHFFFAOYSA-N 0 3 247.382 3.278 20 0 BGADHN COCCC1CN(Cc2cccc(C3CC3)c2)C1 ZINC000668471672 487795648 /nfs/dbraw/zinc/79/56/48/487795648.db2.gz HKMIBZZPXHRJII-UHFFFAOYSA-N 0 3 245.366 3.032 20 0 BGADHN COCCC1CN(Cc2ccc(C3CC3)cc2)C1 ZINC000668471726 487795377 /nfs/dbraw/zinc/79/53/77/487795377.db2.gz IZGIOMGWQCAEQK-UHFFFAOYSA-N 0 3 245.366 3.032 20 0 BGADHN CCCc1cccc(CN2CC(CCOC)C2)c1 ZINC000668471821 487795950 /nfs/dbraw/zinc/79/59/50/487795950.db2.gz MEXQFGPUDBVRPD-UHFFFAOYSA-N 0 3 247.382 3.107 20 0 BGADHN COCCC1CN(Cc2ccc(C(C)C)cc2)C1 ZINC000668472867 487797820 /nfs/dbraw/zinc/79/78/20/487797820.db2.gz SIDHMTIPAGILFI-UHFFFAOYSA-N 0 3 247.382 3.278 20 0 BGADHN COCCC1CN(C/C(C)=C/c2ccccc2)C1 ZINC000668473157 491121453 /nfs/dbraw/zinc/12/14/53/491121453.db2.gz YTXWGTICFYMDQE-GXDHUFHOSA-N 0 3 245.366 3.058 20 0 BGADHN COCCC1CN(C/C(C)=C\c2ccccc2)C1 ZINC000668473160 491121460 /nfs/dbraw/zinc/12/14/60/491121460.db2.gz YTXWGTICFYMDQE-UVTDQMKNSA-N 0 3 245.366 3.058 20 0 BGADHN COCCC1CN(Cc2ccccc2C2CC2)C1 ZINC000668473357 487798754 /nfs/dbraw/zinc/79/87/54/487798754.db2.gz RQKGYVVAXGMGCX-UHFFFAOYSA-N 0 3 245.366 3.032 20 0 BGADHN COCCC1CN(Cc2c(C)cc(C)cc2C)C1 ZINC000668473848 487799561 /nfs/dbraw/zinc/79/95/61/487799561.db2.gz DGPVGNQJZRFSAO-UHFFFAOYSA-N 0 3 247.382 3.080 20 0 BGADHN CCCc1ccc(CN2CC(CCOC)C2)cc1 ZINC000668474264 537947960 /nfs/dbraw/zinc/94/79/60/537947960.db2.gz SOZHFXPJTVQTJN-UHFFFAOYSA-N 0 3 247.382 3.107 20 0 BGADHN COCCC1CN(Cc2cc(C)c(C)cc2C)C1 ZINC000668474280 491121528 /nfs/dbraw/zinc/12/15/28/491121528.db2.gz SZYZROFBOQHCEF-UHFFFAOYSA-N 0 3 247.382 3.080 20 0 BGADHN C1=C(CN2CCCC3(CCCC3)CC2)COCC1 ZINC000668477666 487804073 /nfs/dbraw/zinc/80/40/73/487804073.db2.gz DXMYJXHLBDOZHW-UHFFFAOYSA-N 0 3 249.398 3.379 20 0 BGADHN Cc1c[nH]nc1CN1CCCC2(CCCC2)CC1 ZINC000668478293 491122083 /nfs/dbraw/zinc/12/20/83/491122083.db2.gz MQAIWIXYFCAEPF-UHFFFAOYSA-N 0 3 247.386 3.264 20 0 BGADHN Cc1n[nH]cc1CN1CCCC2(CCCC2)CC1 ZINC000668479551 487807818 /nfs/dbraw/zinc/80/78/18/487807818.db2.gz ZMYMAERWGNOQNA-UHFFFAOYSA-N 0 3 247.386 3.264 20 0 BGADHN CC[C@@H](C)CCNCc1ccc2c(n1)CCC2 ZINC000668486442 487818786 /nfs/dbraw/zinc/81/87/86/487818786.db2.gz FBTKLBZZPFAZKQ-GFCCVEGCSA-N 0 3 232.371 3.096 20 0 BGADHN CC[C@H](C)CCNCc1ccc2c(n1)CCC2 ZINC000668486447 487819132 /nfs/dbraw/zinc/81/91/32/487819132.db2.gz FBTKLBZZPFAZKQ-LBPRGKRZSA-N 0 3 232.371 3.096 20 0 BGADHN Oc1cccc(CN2CCC(C3CCC3)CC2)c1 ZINC000668492019 566297124 /nfs/dbraw/zinc/29/71/24/566297124.db2.gz AAQFUEHLPSVLSB-UHFFFAOYSA-N 0 3 245.366 3.404 20 0 BGADHN c1coc(CN2CCC(C3CCC3)CC2)c1 ZINC000668492072 491125904 /nfs/dbraw/zinc/12/59/04/491125904.db2.gz BXVFJIGSCMXOLI-UHFFFAOYSA-N 0 3 219.328 3.292 20 0 BGADHN Cn1cccc1CN1CCC(C2CCC2)CC1 ZINC000668492228 487847968 /nfs/dbraw/zinc/84/79/68/487847968.db2.gz GIXNDKDBCRYYOY-UHFFFAOYSA-N 0 3 232.371 3.037 20 0 BGADHN Cc1n[nH]c(C)c1CN1CCC(C2CCC2)CC1 ZINC000668492327 487848004 /nfs/dbraw/zinc/84/80/04/487848004.db2.gz IIVTWDWXIJWCMJ-UHFFFAOYSA-N 0 3 247.386 3.039 20 0 BGADHN Oc1ccc(CN2CCC(C3CCC3)CC2)cc1 ZINC000668492875 487849671 /nfs/dbraw/zinc/84/96/71/487849671.db2.gz MBWQGGGFMNAIAJ-UHFFFAOYSA-N 0 3 245.366 3.404 20 0 BGADHN FC1(CN2CCC(C3CCC3)CC2)CC1 ZINC000668493154 490332889 /nfs/dbraw/zinc/33/28/89/490332889.db2.gz GKUTVBMWSTWMMF-UHFFFAOYSA-N 0 3 211.324 3.001 20 0 BGADHN Cc1cnccc1CN1CCC(C2CCC2)CC1 ZINC000668494492 487852224 /nfs/dbraw/zinc/85/22/24/487852224.db2.gz RMGAEPDWFJCMTC-UHFFFAOYSA-N 0 3 244.382 3.402 20 0 BGADHN CC1=CC[C@@H](N[C@H](C)c2cscn2)CC1 ZINC000668501344 487858330 /nfs/dbraw/zinc/85/83/30/487858330.db2.gz FLVHDHITSCUGEC-GHMZBOCLSA-N 0 3 222.357 3.293 20 0 BGADHN CC1=CC[C@H](N[C@H](C)c2cscn2)CC1 ZINC000668501346 487858162 /nfs/dbraw/zinc/85/81/62/487858162.db2.gz FLVHDHITSCUGEC-MNOVXSKESA-N 0 3 222.357 3.293 20 0 BGADHN CC1=CC[C@H](N[C@@H](C)c2cscn2)CC1 ZINC000668501348 487858279 /nfs/dbraw/zinc/85/82/79/487858279.db2.gz FLVHDHITSCUGEC-QWRGUYRKSA-N 0 3 222.357 3.293 20 0 BGADHN CC1=CC[C@@H](N[C@@H](C)c2cscn2)CC1 ZINC000668501349 487858574 /nfs/dbraw/zinc/85/85/74/487858574.db2.gz FLVHDHITSCUGEC-WDEREUQCSA-N 0 3 222.357 3.293 20 0 BGADHN C[C@H](N[C@@H]1CCCC12CC2)c1cscn1 ZINC000668505179 490339046 /nfs/dbraw/zinc/33/90/46/490339046.db2.gz YDQQOHMFZKGWDW-GXSJLCMTSA-N 0 3 222.357 3.126 20 0 BGADHN C[C@@H](N[C@H]1CCCC12CC2)c1cscn1 ZINC000668505181 490339062 /nfs/dbraw/zinc/33/90/62/490339062.db2.gz YDQQOHMFZKGWDW-KOLCDFICSA-N 0 3 222.357 3.126 20 0 BGADHN C[C@@H](N[C@@H]1CCCC12CC2)c1cscn1 ZINC000668505182 490339180 /nfs/dbraw/zinc/33/91/80/490339180.db2.gz YDQQOHMFZKGWDW-MWLCHTKSSA-N 0 3 222.357 3.126 20 0 BGADHN C[C@H](N[C@H]1CCCC12CC2)c1cscn1 ZINC000668505183 490338902 /nfs/dbraw/zinc/33/89/02/490338902.db2.gz YDQQOHMFZKGWDW-ONGXEEELSA-N 0 3 222.357 3.126 20 0 BGADHN CC(C)[C@@H](NC1CSC1)c1ccccc1F ZINC000668516816 487883109 /nfs/dbraw/zinc/88/31/09/487883109.db2.gz MXTKZQLXHOXYAZ-CYBMUJFWSA-N 0 3 239.359 3.228 20 0 BGADHN CC(C)[C@H](NC1CSC1)c1ccccc1F ZINC000668516819 487882846 /nfs/dbraw/zinc/88/28/46/487882846.db2.gz MXTKZQLXHOXYAZ-ZDUSSCGKSA-N 0 3 239.359 3.228 20 0 BGADHN Cc1c[nH]nc1CN1CC[C@H](C2CCCCC2)C1 ZINC000668535532 487897869 /nfs/dbraw/zinc/89/78/69/487897869.db2.gz HUHIDCWWUJERTJ-AWEZNQCLSA-N 0 3 247.386 3.120 20 0 BGADHN Cc1c[nH]nc1CN1CC[C@@H](C2CCCCC2)C1 ZINC000668535535 487897962 /nfs/dbraw/zinc/89/79/62/487897962.db2.gz HUHIDCWWUJERTJ-CQSZACIVSA-N 0 3 247.386 3.120 20 0 BGADHN CC1(C)CCN(Cc2cocn2)CC(C)(C)C1 ZINC000668556563 487930237 /nfs/dbraw/zinc/93/02/37/487930237.db2.gz WEDHNFBQEKAWNQ-UHFFFAOYSA-N 0 3 236.359 3.323 20 0 BGADHN Clc1ccc(CNC2CSC2)cc1Cl ZINC000668581442 487963342 /nfs/dbraw/zinc/96/33/42/487963342.db2.gz DRTULLBPBPNBBY-UHFFFAOYSA-N 0 3 248.178 3.198 20 0 BGADHN c1cc(CNCCCC2CCC2)nc2c1CCC2 ZINC000668583996 487965941 /nfs/dbraw/zinc/96/59/41/487965941.db2.gz OGETURDEIWIAEY-UHFFFAOYSA-N 0 3 244.382 3.240 20 0 BGADHN CCC1(CC)CCCN(Cc2c[nH]nc2C)C1 ZINC000668588555 487972002 /nfs/dbraw/zinc/97/20/02/487972002.db2.gz KLRDGBFZARHDBU-UHFFFAOYSA-N 0 3 235.375 3.120 20 0 BGADHN CCn1nccc1CN1CCCC(CC)(CC)C1 ZINC000668588566 487971860 /nfs/dbraw/zinc/97/18/60/487971860.db2.gz KZACPVMZYBSEOK-UHFFFAOYSA-N 0 3 249.402 3.305 20 0 BGADHN CCC1(CC)CCCN(Cc2cnc(C)n2C)C1 ZINC000668589179 487972232 /nfs/dbraw/zinc/97/22/32/487972232.db2.gz AYKHFIHPFAMNRS-UHFFFAOYSA-N 0 3 249.402 3.131 20 0 BGADHN CCn1cncc1CN1CCCC(CC)(CC)C1 ZINC000668589604 487972820 /nfs/dbraw/zinc/97/28/20/487972820.db2.gz PRDITNIGRCRRCW-UHFFFAOYSA-N 0 3 249.402 3.305 20 0 BGADHN CCC1(CC)CCCN(Cc2c(C)cnn2C)C1 ZINC000668589777 487972710 /nfs/dbraw/zinc/97/27/10/487972710.db2.gz VMSKPPRZIQJRRE-UHFFFAOYSA-N 0 3 249.402 3.131 20 0 BGADHN CCC1(CC)CCCN(Cc2n[nH]cc2C)C1 ZINC000668589792 487972803 /nfs/dbraw/zinc/97/28/03/487972803.db2.gz VTVZJTQKAKFTSM-UHFFFAOYSA-N 0 3 235.375 3.120 20 0 BGADHN Cc1occc1CN1CCC[C@H](CCF)C1 ZINC000668591513 487975763 /nfs/dbraw/zinc/97/57/63/487975763.db2.gz AITQEYAUJIYUCY-GFCCVEGCSA-N 0 3 225.307 3.160 20 0 BGADHN Cc1occc1CN1CCC[C@@H](CCF)C1 ZINC000668591514 487975720 /nfs/dbraw/zinc/97/57/20/487975720.db2.gz AITQEYAUJIYUCY-LBPRGKRZSA-N 0 3 225.307 3.160 20 0 BGADHN CCc1ccc(CN2CCC[C@H](CCF)C2)o1 ZINC000668592182 487977651 /nfs/dbraw/zinc/97/76/51/487977651.db2.gz IYCHZMUEXXZVOE-GFCCVEGCSA-N 0 3 239.334 3.414 20 0 BGADHN CCc1ccc(CN2CCC[C@@H](CCF)C2)o1 ZINC000668592183 487977675 /nfs/dbraw/zinc/97/76/75/487977675.db2.gz IYCHZMUEXXZVOE-LBPRGKRZSA-N 0 3 239.334 3.414 20 0 BGADHN Cc1ccoc1CN1CCC[C@H](CCF)C1 ZINC000668592343 487978197 /nfs/dbraw/zinc/97/81/97/487978197.db2.gz KPBIXYJHTIYLNQ-GFCCVEGCSA-N 0 3 225.307 3.160 20 0 BGADHN Cc1ccoc1CN1CCC[C@@H](CCF)C1 ZINC000668592344 487978137 /nfs/dbraw/zinc/97/81/37/487978137.db2.gz KPBIXYJHTIYLNQ-LBPRGKRZSA-N 0 3 225.307 3.160 20 0 BGADHN Cc1ccc(CN2CCC[C@H](CCF)C2)o1 ZINC000668592860 487978674 /nfs/dbraw/zinc/97/86/74/487978674.db2.gz OATYKDHVOBXGAU-GFCCVEGCSA-N 0 3 225.307 3.160 20 0 BGADHN Cc1ccc(CN2CCC[C@@H](CCF)C2)o1 ZINC000668592861 487978658 /nfs/dbraw/zinc/97/86/58/487978658.db2.gz OATYKDHVOBXGAU-LBPRGKRZSA-N 0 3 225.307 3.160 20 0 BGADHN Cc1ccsc1CN1CC[C@@H](C)O[C@@H](C)C1 ZINC000668624694 488024865 /nfs/dbraw/zinc/02/48/65/488024865.db2.gz AKVWIYXXGGTUND-NEPJUHHUSA-N 0 3 239.384 3.056 20 0 BGADHN Cc1ccc(CN2CC[C@@H](C)O[C@@H](C)C2)s1 ZINC000668625591 488025612 /nfs/dbraw/zinc/02/56/12/488025612.db2.gz VMLRVWDZPAZPJV-MNOVXSKESA-N 0 3 239.384 3.056 20 0 BGADHN Cc1sccc1CN1CC[C@@H](C)O[C@@H](C)C1 ZINC000668625790 488025854 /nfs/dbraw/zinc/02/58/54/488025854.db2.gz AYSCAHWPJOMBNP-MNOVXSKESA-N 0 3 239.384 3.056 20 0 BGADHN c1coc(CN2CCC[C@H]([C@H]3CCCCO3)C2)c1 ZINC000668627847 488028995 /nfs/dbraw/zinc/02/89/95/488028995.db2.gz MKROCIFECWDJFD-DZGCQCFKSA-N 0 3 249.354 3.061 20 0 BGADHN c1coc(CN2CCC[C@@H]([C@@H]3CCCCO3)C2)c1 ZINC000668627848 488028815 /nfs/dbraw/zinc/02/88/15/488028815.db2.gz MKROCIFECWDJFD-HIFRSBDPSA-N 0 3 249.354 3.061 20 0 BGADHN c1coc(CN2CCC[C@@H]([C@H]3CCCCO3)C2)c1 ZINC000668627849 488028898 /nfs/dbraw/zinc/02/88/98/488028898.db2.gz MKROCIFECWDJFD-UKRRQHHQSA-N 0 3 249.354 3.061 20 0 BGADHN c1coc(CN2CCC[C@H]([C@@H]3CCCCO3)C2)c1 ZINC000668627850 488028961 /nfs/dbraw/zinc/02/89/61/488028961.db2.gz MKROCIFECWDJFD-ZFWWWQNUSA-N 0 3 249.354 3.061 20 0 BGADHN c1coc(CN2CCC([C@@H]3CCCCO3)CC2)c1 ZINC000668629729 488029507 /nfs/dbraw/zinc/02/95/07/488029507.db2.gz ZIDMMBSGHWXBRO-HNNXBMFYSA-N 0 3 249.354 3.061 20 0 BGADHN c1coc(CN2CCC([C@H]3CCCCO3)CC2)c1 ZINC000668629730 488029294 /nfs/dbraw/zinc/02/92/94/488029294.db2.gz ZIDMMBSGHWXBRO-OAHLLOKOSA-N 0 3 249.354 3.061 20 0 BGADHN C[C@@H](N[C@@H]1[C@@H]2CCC[C@@H]21)c1cc2cnccc2o1 ZINC000668667518 488083763 /nfs/dbraw/zinc/08/37/63/488083763.db2.gz BMIJFQPMKCQEJE-ADGXKJENSA-N 0 3 242.322 3.277 20 0 BGADHN C[C@H](N[C@H]1[C@@H]2CCC[C@@H]21)c1cc2cnccc2o1 ZINC000668667520 488083677 /nfs/dbraw/zinc/08/36/77/488083677.db2.gz BMIJFQPMKCQEJE-APAOZMKASA-N 0 3 242.322 3.277 20 0 BGADHN C[C@H](N[C@@H]1[C@@H]2CCC[C@@H]21)c1cc2cnccc2o1 ZINC000668667522 488083815 /nfs/dbraw/zinc/08/38/15/488083815.db2.gz BMIJFQPMKCQEJE-BTABJRDXSA-N 0 3 242.322 3.277 20 0 BGADHN C[C@@H](N[C@H]1[C@@H]2CCC[C@@H]21)c1cc2cnccc2o1 ZINC000668667524 488083400 /nfs/dbraw/zinc/08/34/00/488083400.db2.gz BMIJFQPMKCQEJE-NYMYIZQJSA-N 0 3 242.322 3.277 20 0 BGADHN COc1ccccc1/C=C\CN1CC[C@@H]2C[C@@H]2C1 ZINC000668675676 490508834 /nfs/dbraw/zinc/50/88/34/490508834.db2.gz GBQJYTXHIMDAIZ-FAKDPMAQSA-N 0 3 243.350 3.050 20 0 BGADHN COc1ccccc1/C=C/CN1CC[C@@H]2C[C@@H]2C1 ZINC000668675679 490509121 /nfs/dbraw/zinc/50/91/21/490509121.db2.gz GBQJYTXHIMDAIZ-WYVSAIIBSA-N 0 3 243.350 3.050 20 0 BGADHN CC(C)CCn1cccc1CN1CC[C@H]2C[C@H]2C1 ZINC000668676346 488096784 /nfs/dbraw/zinc/09/67/84/488096784.db2.gz PJMRADNWSQNOTE-GJZGRUSLSA-N 0 3 246.398 3.376 20 0 BGADHN CC(C)CCn1cccc1CN1CC[C@@H]2C[C@@H]2C1 ZINC000668676347 488096904 /nfs/dbraw/zinc/09/69/04/488096904.db2.gz PJMRADNWSQNOTE-HUUCEWRRSA-N 0 3 246.398 3.376 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CN2CC[C@@H]3C[C@@H]3C2)o1 ZINC000668676366 488097194 /nfs/dbraw/zinc/09/71/94/488097194.db2.gz PSZDTRWTLSUZCB-BYNQJWBRSA-N 0 3 231.339 3.245 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CN2CC[C@H]3C[C@H]3C2)o1 ZINC000668676369 488097152 /nfs/dbraw/zinc/09/71/52/488097152.db2.gz PSZDTRWTLSUZCB-UHXUPSOCSA-N 0 3 231.339 3.245 20 0 BGADHN Fc1ccc(/C=C/CN2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000668676468 488098060 /nfs/dbraw/zinc/09/80/60/488098060.db2.gz AUMPAMRKGZBYIQ-GEYXIOIISA-N 0 3 231.314 3.181 20 0 BGADHN Fc1ccc(/C=C\CN2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000668676469 488098295 /nfs/dbraw/zinc/09/82/95/488098295.db2.gz AUMPAMRKGZBYIQ-KOMGFDSOSA-N 0 3 231.314 3.181 20 0 BGADHN c1nc(C2CCC2)sc1CN1CC[C@H]2C[C@H]2C1 ZINC000668676716 488098113 /nfs/dbraw/zinc/09/81/13/488098113.db2.gz DWYZTCFNXKHLCB-RYUDHWBXSA-N 0 3 248.395 3.252 20 0 BGADHN c1nc(C2CCC2)sc1CN1CC[C@@H]2C[C@@H]2C1 ZINC000668676717 488098839 /nfs/dbraw/zinc/09/88/39/488098839.db2.gz DWYZTCFNXKHLCB-VXGBXAGGSA-N 0 3 248.395 3.252 20 0 BGADHN c1c2ccccc2[nH]c1CN1CC[C@H]2C[C@H]2C1 ZINC000668676896 488099382 /nfs/dbraw/zinc/09/93/82/488099382.db2.gz GKAJIPSIXKRBFZ-AAEUAGOBSA-N 0 3 226.323 3.010 20 0 BGADHN c1c2ccccc2[nH]c1CN1CC[C@@H]2C[C@@H]2C1 ZINC000668676897 488099929 /nfs/dbraw/zinc/09/99/29/488099929.db2.gz GKAJIPSIXKRBFZ-DGCLKSJQSA-N 0 3 226.323 3.010 20 0 BGADHN c1ccc2c(CN3CC[C@H]4C[C@H]4C3)ccnc2c1 ZINC000668676965 488099637 /nfs/dbraw/zinc/09/96/37/488099637.db2.gz WOJKZMDCRIUXBH-JSGCOSHPSA-N 0 3 238.334 3.077 20 0 BGADHN c1ccc2c(CN3CC[C@@H]4C[C@@H]4C3)ccnc2c1 ZINC000668676967 488099469 /nfs/dbraw/zinc/09/94/69/488099469.db2.gz WOJKZMDCRIUXBH-TZMCWYRMSA-N 0 3 238.334 3.077 20 0 BGADHN CSc1ccc(CN2CC[C@@H]3C[C@@H]3C2)s1 ZINC000668677107 488100831 /nfs/dbraw/zinc/10/08/31/488100831.db2.gz JFWNSCBVTVNAEJ-NXEZZACHSA-N 0 3 239.409 3.312 20 0 BGADHN CSc1ccc(CN2CC[C@H]3C[C@H]3C2)s1 ZINC000668677108 488100703 /nfs/dbraw/zinc/10/07/03/488100703.db2.gz JFWNSCBVTVNAEJ-UWVGGRQHSA-N 0 3 239.409 3.312 20 0 BGADHN CCOc1ccc(CN2CC[C@@H]3C[C@@H]3C2)cc1F ZINC000668677136 488100541 /nfs/dbraw/zinc/10/05/41/488100541.db2.gz JVDMZTKWFLNKTD-CHWSQXEVSA-N 0 3 249.329 3.066 20 0 BGADHN Fc1ccc2oc(CN3CC[C@H]4C[C@H]4C3)cc2c1 ZINC000668677139 488100593 /nfs/dbraw/zinc/10/05/93/488100593.db2.gz YFJWNGGSASGEBO-JQWIXIFHSA-N 0 3 245.297 3.414 20 0 BGADHN Fc1ccc2oc(CN3CC[C@@H]4C[C@@H]4C3)cc2c1 ZINC000668677141 488100817 /nfs/dbraw/zinc/10/08/17/488100817.db2.gz YFJWNGGSASGEBO-ZYHUDNBSSA-N 0 3 245.297 3.414 20 0 BGADHN CCOc1ccc(CN2CC[C@H]3C[C@H]3C2)cc1F ZINC000668677200 488100759 /nfs/dbraw/zinc/10/07/59/488100759.db2.gz JVDMZTKWFLNKTD-STQMWFEESA-N 0 3 249.329 3.066 20 0 BGADHN Clc1cccc(CCN2CC[C@@H]3C[C@@H]3C2)c1 ZINC000668677406 488100804 /nfs/dbraw/zinc/10/08/04/488100804.db2.gz OPURKNYEGTYFMU-CHWSQXEVSA-N 0 3 235.758 3.224 20 0 BGADHN Clc1cccc(CCN2CC[C@H]3C[C@H]3C2)c1 ZINC000668677409 488100619 /nfs/dbraw/zinc/10/06/19/488100619.db2.gz OPURKNYEGTYFMU-STQMWFEESA-N 0 3 235.758 3.224 20 0 BGADHN Fc1ccc(/C=C/CN2CC[C@@H]3C[C@@H]3C2)c(F)c1 ZINC000668677669 488102106 /nfs/dbraw/zinc/10/21/06/488102106.db2.gz UWEGOZFHPUJIIA-DKZVVXNFSA-N 0 3 249.304 3.320 20 0 BGADHN Fc1ccc(/C=C\CN2CC[C@@H]3C[C@@H]3C2)c(F)c1 ZINC000668677671 488102061 /nfs/dbraw/zinc/10/20/61/488102061.db2.gz UWEGOZFHPUJIIA-IKGCNYHESA-N 0 3 249.304 3.320 20 0 BGADHN Fc1ccc(/C=C/CN2CC[C@@H]3C[C@@H]3C2)cc1F ZINC000668677678 488101800 /nfs/dbraw/zinc/10/18/00/488101800.db2.gz VAPUFQGGAPZTPP-DKZVVXNFSA-N 0 3 249.304 3.320 20 0 BGADHN Fc1ccc(/C=C\CN2CC[C@@H]3C[C@@H]3C2)cc1F ZINC000668677680 488101789 /nfs/dbraw/zinc/10/17/89/488101789.db2.gz VAPUFQGGAPZTPP-IKGCNYHESA-N 0 3 249.304 3.320 20 0 BGADHN c1cc2cc(CN3CC[C@H]4C[C@H]4C3)ccc2o1 ZINC000668677749 488102038 /nfs/dbraw/zinc/10/20/38/488102038.db2.gz WPPAIKKGIPTZIW-JSGCOSHPSA-N 0 3 227.307 3.275 20 0 BGADHN c1cc2cc(CN3CC[C@@H]4C[C@@H]4C3)ccc2o1 ZINC000668677751 488101883 /nfs/dbraw/zinc/10/18/83/488101883.db2.gz WPPAIKKGIPTZIW-TZMCWYRMSA-N 0 3 227.307 3.275 20 0 BGADHN Cc1cccc2[nH]c(CN3CC[C@@H]4C[C@@H]4C3)cc21 ZINC000668678309 488104214 /nfs/dbraw/zinc/10/42/14/488104214.db2.gz HILWWMPMGDXKEP-CHWSQXEVSA-N 0 3 240.350 3.318 20 0 BGADHN Cc1cccc2[nH]c(CN3CC[C@H]4C[C@H]4C3)cc21 ZINC000668678312 488104171 /nfs/dbraw/zinc/10/41/71/488104171.db2.gz HILWWMPMGDXKEP-STQMWFEESA-N 0 3 240.350 3.318 20 0 BGADHN c1c2ccncc2sc1CN1CC[C@H]2C[C@H]2C1 ZINC000668678569 488104653 /nfs/dbraw/zinc/10/46/53/488104653.db2.gz LSZIXZLFVWKWDP-JQWIXIFHSA-N 0 3 244.363 3.138 20 0 BGADHN c1c2ccncc2sc1CN1CC[C@@H]2C[C@@H]2C1 ZINC000668678571 488104870 /nfs/dbraw/zinc/10/48/70/488104870.db2.gz LSZIXZLFVWKWDP-ZYHUDNBSSA-N 0 3 244.363 3.138 20 0 BGADHN Cc1ccc2cc(CN3CC[C@H]4C[C@H]4C3)[nH]c2c1 ZINC000668679005 488105491 /nfs/dbraw/zinc/10/54/91/488105491.db2.gz XIPHVOMVRWBIDN-JSGCOSHPSA-N 0 3 240.350 3.318 20 0 BGADHN Cc1ccc2cc(CN3CC[C@@H]4C[C@@H]4C3)[nH]c2c1 ZINC000668679007 488105763 /nfs/dbraw/zinc/10/57/63/488105763.db2.gz XIPHVOMVRWBIDN-TZMCWYRMSA-N 0 3 240.350 3.318 20 0 BGADHN Cc1cc(CNCC2=CCCC2)cc(C)c1O ZINC000668689394 488118943 /nfs/dbraw/zinc/11/89/43/488118943.db2.gz ASWAMAQOOVGUAA-UHFFFAOYSA-N 0 3 231.339 3.209 20 0 BGADHN CCC(CC)CCCN(C)Cc1[nH]ncc1C ZINC000668712792 488155186 /nfs/dbraw/zinc/15/51/86/488155186.db2.gz BCLUIVIKNWABEY-UHFFFAOYSA-N 0 3 237.391 3.366 20 0 BGADHN c1coc(CN2CCC[C@@H](C3CCC3)C2)c1 ZINC000668712834 488155125 /nfs/dbraw/zinc/15/51/25/488155125.db2.gz BWUICBJMFKGYRW-CYBMUJFWSA-N 0 3 219.328 3.292 20 0 BGADHN c1coc(CN2CCC[C@H](C3CCC3)C2)c1 ZINC000668712837 488154093 /nfs/dbraw/zinc/15/40/93/488154093.db2.gz BWUICBJMFKGYRW-ZDUSSCGKSA-N 0 3 219.328 3.292 20 0 BGADHN CCC(CC)CCCN(C)Cc1c[nH]nc1C ZINC000668713375 488155647 /nfs/dbraw/zinc/15/56/47/488155647.db2.gz OERHJJDQRCDTLY-UHFFFAOYSA-N 0 3 237.391 3.366 20 0 BGADHN CC(C)CC1(NCc2ccc3c(n2)CCC3)CC1 ZINC000668719321 488161721 /nfs/dbraw/zinc/16/17/21/488161721.db2.gz VKFWVWCTSJCALI-UHFFFAOYSA-N 0 3 244.382 3.239 20 0 BGADHN CCC[C@@H](C)CN1CCOc2ccc(O)cc2C1 ZINC000668724306 488166207 /nfs/dbraw/zinc/16/62/07/488166207.db2.gz OMDKBLJKQIZLHL-GFCCVEGCSA-N 0 3 249.354 3.023 20 0 BGADHN CCC[C@H](C)CN1CCOc2ccc(O)cc2C1 ZINC000668724307 488166463 /nfs/dbraw/zinc/16/64/63/488166463.db2.gz OMDKBLJKQIZLHL-LBPRGKRZSA-N 0 3 249.354 3.023 20 0 BGADHN C[C@@H](NCCC1CCCCCC1)c1nccn1C ZINC000668747012 487470768 /nfs/dbraw/zinc/47/07/68/487470768.db2.gz ANCDHILDWSMVEW-CYBMUJFWSA-N 0 3 249.402 3.431 20 0 BGADHN C[C@H](NCCC1CCCCCC1)c1nccn1C ZINC000668747016 487470739 /nfs/dbraw/zinc/47/07/39/487470739.db2.gz ANCDHILDWSMVEW-ZDUSSCGKSA-N 0 3 249.402 3.431 20 0 BGADHN Cc1cccc2c1CCC[C@@H]2NC1CSC1 ZINC000668755789 487487961 /nfs/dbraw/zinc/48/79/61/487487961.db2.gz MKPGODQUOBIHKD-AWEZNQCLSA-N 0 3 233.380 3.077 20 0 BGADHN Cc1cccc2c1CCC[C@H]2NC1CSC1 ZINC000668755790 487487888 /nfs/dbraw/zinc/48/78/88/487487888.db2.gz MKPGODQUOBIHKD-CQSZACIVSA-N 0 3 233.380 3.077 20 0 BGADHN CN(C[C@H]1CCc2ccccc21)CC1(F)CC1 ZINC000668755861 487488936 /nfs/dbraw/zinc/48/89/36/487488936.db2.gz OFCBMBJOSZOKCG-CYBMUJFWSA-N 0 3 233.330 3.150 20 0 BGADHN CN(C[C@@H]1CCc2ccccc21)CC1(F)CC1 ZINC000668755862 487488835 /nfs/dbraw/zinc/48/88/35/487488835.db2.gz OFCBMBJOSZOKCG-ZDUSSCGKSA-N 0 3 233.330 3.150 20 0 BGADHN Cc1sccc1CN(C)CC1=CCSC1 ZINC000668774628 487520106 /nfs/dbraw/zinc/52/01/06/487520106.db2.gz FRDJSHJJUWAPNJ-UHFFFAOYSA-N 0 3 239.409 3.162 20 0 BGADHN Cc1ccsc1CN(C)CC1=CCSC1 ZINC000668774896 487520625 /nfs/dbraw/zinc/52/06/25/487520625.db2.gz CMESQRKRAKRKAS-UHFFFAOYSA-N 0 3 239.409 3.162 20 0 BGADHN Cc1ccc(CN(C)CC2=CCSC2)s1 ZINC000668775619 487521727 /nfs/dbraw/zinc/52/17/27/487521727.db2.gz LXCHEHVTBFWFCS-UHFFFAOYSA-N 0 3 239.409 3.162 20 0 BGADHN Cc1cccc(CN(C)CC2=CCSC2)c1C ZINC000668775822 487521809 /nfs/dbraw/zinc/52/18/09/487521809.db2.gz QXQVWORRYLRWGN-UHFFFAOYSA-N 0 3 247.407 3.408 20 0 BGADHN COCC1(N[C@H](C)c2ccccn2)CCCCC1 ZINC000668810627 487576329 /nfs/dbraw/zinc/57/63/29/487576329.db2.gz FJKWKTAGLPBKJP-CYBMUJFWSA-N 0 3 248.370 3.082 20 0 BGADHN COCC1(N[C@@H](C)c2ccccn2)CCCCC1 ZINC000668810628 487576477 /nfs/dbraw/zinc/57/64/77/487576477.db2.gz FJKWKTAGLPBKJP-ZDUSSCGKSA-N 0 3 248.370 3.082 20 0 BGADHN Cc1occc1CN(C)C[C@H]1CC1(C)C ZINC000668814441 487582181 /nfs/dbraw/zinc/58/21/81/487582181.db2.gz JWPWSGOTXYKXDI-GFCCVEGCSA-N 0 3 207.317 3.066 20 0 BGADHN Cc1occc1CN(C)C[C@@H]1CC1(C)C ZINC000668814442 487582115 /nfs/dbraw/zinc/58/21/15/487582115.db2.gz JWPWSGOTXYKXDI-LBPRGKRZSA-N 0 3 207.317 3.066 20 0 BGADHN CN(Cc1ccc2c(n1)CCC2)C[C@H]1CC1(C)C ZINC000668814478 487582417 /nfs/dbraw/zinc/58/24/17/487582417.db2.gz LHGOZNWAQOADKJ-CYBMUJFWSA-N 0 3 244.382 3.048 20 0 BGADHN CN(Cc1ccc2c(n1)CCC2)C[C@@H]1CC1(C)C ZINC000668814479 487582088 /nfs/dbraw/zinc/58/20/88/487582088.db2.gz LHGOZNWAQOADKJ-ZDUSSCGKSA-N 0 3 244.382 3.048 20 0 BGADHN CC(C)Cn1nccc1CN(C)C[C@H]1CC1(C)C ZINC000668814581 487582935 /nfs/dbraw/zinc/58/29/35/487582935.db2.gz NYYATCVMTNOZKH-CYBMUJFWSA-N 0 3 249.402 3.017 20 0 BGADHN CC(C)Cn1nccc1CN(C)C[C@@H]1CC1(C)C ZINC000668814582 487582001 /nfs/dbraw/zinc/58/20/01/487582001.db2.gz NYYATCVMTNOZKH-ZDUSSCGKSA-N 0 3 249.402 3.017 20 0 BGADHN Cc1nn(C(C)C)cc1CN(C)C[C@@H]1CC1(C)C ZINC000668814844 487582979 /nfs/dbraw/zinc/58/29/79/487582979.db2.gz WEEZAUPEZNXDOD-AWEZNQCLSA-N 0 3 249.402 3.250 20 0 BGADHN Cc1nn(C(C)C)cc1CN(C)C[C@H]1CC1(C)C ZINC000668814845 487582374 /nfs/dbraw/zinc/58/23/74/487582374.db2.gz WEEZAUPEZNXDOD-CQSZACIVSA-N 0 3 249.402 3.250 20 0 BGADHN CN(Cc1[nH]nc2ccccc21)C[C@H]1CC1(C)C ZINC000668815072 487583569 /nfs/dbraw/zinc/58/35/69/487583569.db2.gz CZNFRLMZACGIOP-LLVKDONJSA-N 0 3 243.354 3.041 20 0 BGADHN CN(Cc1n[nH]c2ccccc21)C[C@H]1CC1(C)C ZINC000668815072 487583567 /nfs/dbraw/zinc/58/35/67/487583567.db2.gz CZNFRLMZACGIOP-LLVKDONJSA-N 0 3 243.354 3.041 20 0 BGADHN CN(Cc1[nH]nc2ccccc21)C[C@@H]1CC1(C)C ZINC000668815073 487584182 /nfs/dbraw/zinc/58/41/82/487584182.db2.gz CZNFRLMZACGIOP-NSHDSACASA-N 0 3 243.354 3.041 20 0 BGADHN CN(Cc1n[nH]c2ccccc21)C[C@@H]1CC1(C)C ZINC000668815073 487584175 /nfs/dbraw/zinc/58/41/75/487584175.db2.gz CZNFRLMZACGIOP-NSHDSACASA-N 0 3 243.354 3.041 20 0 BGADHN CN(Cc1c[nH]nc1C(C)(C)C)C[C@H]1CC1(C)C ZINC000668815383 487584042 /nfs/dbraw/zinc/58/40/42/487584042.db2.gz MCRHQCHQAWVDTL-GFCCVEGCSA-N 0 3 249.402 3.185 20 0 BGADHN CN(Cc1c[nH]nc1C(C)(C)C)C[C@@H]1CC1(C)C ZINC000668815384 487583684 /nfs/dbraw/zinc/58/36/84/487583684.db2.gz MCRHQCHQAWVDTL-LBPRGKRZSA-N 0 3 249.402 3.185 20 0 BGADHN Cc1ccoc1CN(C)C[C@H]1CC1(C)C ZINC000668815446 487585220 /nfs/dbraw/zinc/58/52/20/487585220.db2.gz NMZLTORUPFIWBX-LLVKDONJSA-N 0 3 207.317 3.066 20 0 BGADHN Cc1ccoc1CN(C)C[C@@H]1CC1(C)C ZINC000668815447 487585192 /nfs/dbraw/zinc/58/51/92/487585192.db2.gz NMZLTORUPFIWBX-NSHDSACASA-N 0 3 207.317 3.066 20 0 BGADHN COc1ccsc1CN(C)C[C@@H]1CC1(C)C ZINC000668815532 487584111 /nfs/dbraw/zinc/58/41/11/487584111.db2.gz PKYRPSOQRXXZKE-JTQLQIEISA-N 0 3 239.384 3.235 20 0 BGADHN COc1ccsc1CN(C)C[C@H]1CC1(C)C ZINC000668815533 487583882 /nfs/dbraw/zinc/58/38/82/487583882.db2.gz PKYRPSOQRXXZKE-SNVBAGLBSA-N 0 3 239.384 3.235 20 0 BGADHN Cc1ccc(CN(C)C[C@H]2CC2(C)C)o1 ZINC000668815549 487584008 /nfs/dbraw/zinc/58/40/08/487584008.db2.gz PZAADIFLOVBQHT-LLVKDONJSA-N 0 3 207.317 3.066 20 0 BGADHN Cc1ccc(CN(C)C[C@@H]2CC2(C)C)o1 ZINC000668815550 487583453 /nfs/dbraw/zinc/58/34/53/487583453.db2.gz PZAADIFLOVBQHT-NSHDSACASA-N 0 3 207.317 3.066 20 0 BGADHN CCc1ncc(CN(C)C[C@@H]2CC2(C)C)s1 ZINC000668815847 487584986 /nfs/dbraw/zinc/58/49/86/487584986.db2.gz XPAUCKWCCYVOKL-JTQLQIEISA-N 0 3 238.400 3.183 20 0 BGADHN CCc1ncc(CN(C)C[C@H]2CC2(C)C)s1 ZINC000668815848 487585479 /nfs/dbraw/zinc/58/54/79/487585479.db2.gz XPAUCKWCCYVOKL-SNVBAGLBSA-N 0 3 238.400 3.183 20 0 BGADHN CC(C)C(CN1CCCc2n[nH]cc2C1)C(C)C ZINC000668841025 487633244 /nfs/dbraw/zinc/63/32/44/487633244.db2.gz HALMOZUCLOUTSC-UHFFFAOYSA-N 0 3 249.402 3.086 20 0 BGADHN CCC[C@H](NCc1cc(C)ncn1)[C@@H]1CC1(C)C ZINC000669419738 487809041 /nfs/dbraw/zinc/80/90/41/487809041.db2.gz OTZGETYXVVMMPD-KBPBESRZSA-N 0 3 247.386 3.089 20 0 BGADHN CCC[C@H](NCc1cc(C)ncn1)[C@H]1CC1(C)C ZINC000669419739 487809182 /nfs/dbraw/zinc/80/91/82/487809182.db2.gz OTZGETYXVVMMPD-KGLIPLIRSA-N 0 3 247.386 3.089 20 0 BGADHN CCC[C@@H](NCc1cc(C)ncn1)[C@@H]1CC1(C)C ZINC000669419740 487809063 /nfs/dbraw/zinc/80/90/63/487809063.db2.gz OTZGETYXVVMMPD-UONOGXRCSA-N 0 3 247.386 3.089 20 0 BGADHN CCC[C@@H](NCc1cc(C)ncn1)[C@H]1CC1(C)C ZINC000669419741 487808776 /nfs/dbraw/zinc/80/87/76/487808776.db2.gz OTZGETYXVVMMPD-ZIAGYGMSSA-N 0 3 247.386 3.089 20 0 BGADHN CCn1cncc1CN(C1CC1)C1CCCCC1 ZINC000669491979 488053832 /nfs/dbraw/zinc/05/38/32/488053832.db2.gz HSRVTHHFVVNGLE-UHFFFAOYSA-N 0 3 247.386 3.200 20 0 BGADHN CCC[C@@H](N[C@@H]1COC(C)(C)C1)c1ccccn1 ZINC000669537910 488187284 /nfs/dbraw/zinc/18/72/84/488187284.db2.gz HBPOBTVFUHCVGS-GXTWGEPZSA-N 0 3 248.370 3.080 20 0 BGADHN CCC[C@H](N[C@@H]1COC(C)(C)C1)c1ccccn1 ZINC000669537911 488187169 /nfs/dbraw/zinc/18/71/69/488187169.db2.gz HBPOBTVFUHCVGS-JSGCOSHPSA-N 0 3 248.370 3.080 20 0 BGADHN CCC[C@H](N[C@H]1COC(C)(C)C1)c1ccccn1 ZINC000669537912 488187266 /nfs/dbraw/zinc/18/72/66/488187266.db2.gz HBPOBTVFUHCVGS-OCCSQVGLSA-N 0 3 248.370 3.080 20 0 BGADHN CCC[C@@H](N[C@H]1COC(C)(C)C1)c1ccccn1 ZINC000669537913 488187248 /nfs/dbraw/zinc/18/72/48/488187248.db2.gz HBPOBTVFUHCVGS-TZMCWYRMSA-N 0 3 248.370 3.080 20 0 BGADHN FC1CC2(C1)CN(C[C@@H]1C[C@@H]1c1ccccc1)C2 ZINC000669571638 487522270 /nfs/dbraw/zinc/52/22/70/487522270.db2.gz YOZXTLZPZLBORR-DZGCQCFKSA-N 0 3 245.341 3.224 20 0 BGADHN FC1CC2(C1)CN(C[C@H]1C[C@H]1c1ccccc1)C2 ZINC000669571639 487522531 /nfs/dbraw/zinc/52/25/31/487522531.db2.gz YOZXTLZPZLBORR-HIFRSBDPSA-N 0 3 245.341 3.224 20 0 BGADHN FC1CC2(C1)CN(C[C@H]1C[C@@H]1c1ccccc1)C2 ZINC000669571640 487522499 /nfs/dbraw/zinc/52/24/99/487522499.db2.gz YOZXTLZPZLBORR-UKRRQHHQSA-N 0 3 245.341 3.224 20 0 BGADHN Cc1c[nH]nc1CN(C)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000669574296 487561534 /nfs/dbraw/zinc/56/15/34/487561534.db2.gz FZWDBGOUMBXLQM-GXTWGEPZSA-N 0 3 249.402 3.365 20 0 BGADHN Cc1c[nH]nc1CN(C)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000669574297 487561427 /nfs/dbraw/zinc/56/14/27/487561427.db2.gz FZWDBGOUMBXLQM-JSGCOSHPSA-N 0 3 249.402 3.365 20 0 BGADHN Cc1c[nH]nc1CN(C)[C@H]1CCC[C@H]1C(C)(C)C ZINC000669574298 487561407 /nfs/dbraw/zinc/56/14/07/487561407.db2.gz FZWDBGOUMBXLQM-OCCSQVGLSA-N 0 3 249.402 3.365 20 0 BGADHN Cc1c[nH]nc1CN(C)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000669574299 487561198 /nfs/dbraw/zinc/56/11/98/487561198.db2.gz FZWDBGOUMBXLQM-TZMCWYRMSA-N 0 3 249.402 3.365 20 0 BGADHN Cc1ccc(CCN[C@H](C)c2cccc(O)c2)o1 ZINC000669613461 487825083 /nfs/dbraw/zinc/82/50/83/487825083.db2.gz WPTIRRWNLNZRLL-GFCCVEGCSA-N 0 3 245.322 3.187 20 0 BGADHN Cc1ccc(CCN[C@@H](C)c2cccc(O)c2)o1 ZINC000669613462 487825156 /nfs/dbraw/zinc/82/51/56/487825156.db2.gz WPTIRRWNLNZRLL-LBPRGKRZSA-N 0 3 245.322 3.187 20 0 BGADHN COc1cccc(CNCCC2(C)CC2)c1F ZINC000669684893 487648525 /nfs/dbraw/zinc/64/85/25/487648525.db2.gz AEAFRANWGCUISO-UHFFFAOYSA-N 0 3 237.318 3.114 20 0 BGADHN CC[C@H](C)N1CC[C@H]1c1cccc(F)c1 ZINC000669690400 487658448 /nfs/dbraw/zinc/65/84/48/487658448.db2.gz BANNRPMZWNEDTE-GWCFXTLKSA-N 0 3 207.292 3.371 20 0 BGADHN CC[C@H](C)N1CC[C@@H]1c1cccc(F)c1 ZINC000669690401 487658253 /nfs/dbraw/zinc/65/82/53/487658253.db2.gz BANNRPMZWNEDTE-GXFFZTMASA-N 0 3 207.292 3.371 20 0 BGADHN CC[C@@H](C)N1CC[C@H]1c1cccc(F)c1 ZINC000669690402 487658708 /nfs/dbraw/zinc/65/87/08/487658708.db2.gz BANNRPMZWNEDTE-MFKMUULPSA-N 0 3 207.292 3.371 20 0 BGADHN CC[C@@H](C)N1CC[C@@H]1c1cccc(F)c1 ZINC000669690403 487658755 /nfs/dbraw/zinc/65/87/55/487658755.db2.gz BANNRPMZWNEDTE-ZWNOBZJWSA-N 0 3 207.292 3.371 20 0 BGADHN COc1ccccc1CN[C@H]1CCC12CCC2 ZINC000669698042 487693192 /nfs/dbraw/zinc/69/31/92/487693192.db2.gz ZUWGLKTTWGVKPN-AWEZNQCLSA-N 0 3 231.339 3.118 20 0 BGADHN COc1ccccc1CN[C@@H]1CCC12CCC2 ZINC000669698043 487693382 /nfs/dbraw/zinc/69/33/82/487693382.db2.gz ZUWGLKTTWGVKPN-CQSZACIVSA-N 0 3 231.339 3.118 20 0 BGADHN Cc1cc([C@@H](C)NCC[C@H]2CCCO2)oc1C ZINC000669698425 487693590 /nfs/dbraw/zinc/69/35/90/487693590.db2.gz BFLOONDUAKQNPB-DGCLKSJQSA-N 0 3 237.343 3.116 20 0 BGADHN Cc1cc([C@H](C)NCC[C@H]2CCCO2)oc1C ZINC000669698426 487693125 /nfs/dbraw/zinc/69/31/25/487693125.db2.gz BFLOONDUAKQNPB-WCQYABFASA-N 0 3 237.343 3.116 20 0 BGADHN CC(C)c1cc(CN[C@@H]2CCC[C@@H]3C[C@@]32C)on1 ZINC000669699842 487695887 /nfs/dbraw/zinc/69/58/87/487695887.db2.gz HGECAULVKWUCSD-DFBGVHRSSA-N 0 3 248.370 3.466 20 0 BGADHN CC(C)c1cc(CN[C@@H]2CCC[C@H]3C[C@]32C)on1 ZINC000669699845 487696904 /nfs/dbraw/zinc/69/69/04/487696904.db2.gz HGECAULVKWUCSD-NILFDRSVSA-N 0 3 248.370 3.466 20 0 BGADHN Cc1noc(C)c1[C@@H](C)N[C@@H]1CCC12CCC2 ZINC000669699904 487696362 /nfs/dbraw/zinc/69/63/62/487696362.db2.gz YRDHZCUGGOIBRL-BXKDBHETSA-N 0 3 234.343 3.275 20 0 BGADHN Cc1noc(C)c1[C@H](C)N[C@H]1CCC12CCC2 ZINC000669699905 487696494 /nfs/dbraw/zinc/69/64/94/487696494.db2.gz YRDHZCUGGOIBRL-CABZTGNLSA-N 0 3 234.343 3.275 20 0 BGADHN Cc1noc(C)c1[C@H](C)N[C@@H]1CCC12CCC2 ZINC000669699906 487696670 /nfs/dbraw/zinc/69/66/70/487696670.db2.gz YRDHZCUGGOIBRL-JOYOIKCWSA-N 0 3 234.343 3.275 20 0 BGADHN Cc1noc(C)c1[C@@H](C)N[C@H]1CCC12CCC2 ZINC000669699907 487696840 /nfs/dbraw/zinc/69/68/40/487696840.db2.gz YRDHZCUGGOIBRL-SKDRFNHKSA-N 0 3 234.343 3.275 20 0 BGADHN CC(C)c1cc(CN[C@@H]2CCC23CCC3)on1 ZINC000669699908 487696403 /nfs/dbraw/zinc/69/64/03/487696403.db2.gz ZRTOEXUTHNAYML-CYBMUJFWSA-N 0 3 234.343 3.220 20 0 BGADHN CC(C)c1cc(CN[C@H]2CCC23CCC3)on1 ZINC000669699909 487697144 /nfs/dbraw/zinc/69/71/44/487697144.db2.gz ZRTOEXUTHNAYML-ZDUSSCGKSA-N 0 3 234.343 3.220 20 0 BGADHN C[C@@H](NC1CC=CC1)c1cnn(C2CCCC2)c1 ZINC000669700703 487696600 /nfs/dbraw/zinc/69/66/00/487696600.db2.gz GYMGMTYEAKCWGX-GFCCVEGCSA-N 0 3 245.370 3.367 20 0 BGADHN C[C@H](NC1CC=CC1)c1cnn(C2CCCC2)c1 ZINC000669700704 487696512 /nfs/dbraw/zinc/69/65/12/487696512.db2.gz GYMGMTYEAKCWGX-LBPRGKRZSA-N 0 3 245.370 3.367 20 0 BGADHN COc1ccc(C)cc1CN[C@H]1CCC12CCC2 ZINC000669700831 487696923 /nfs/dbraw/zinc/69/69/23/487696923.db2.gz HEHKWCXNSKSAPN-HNNXBMFYSA-N 0 3 245.366 3.426 20 0 BGADHN COc1ccc(C)cc1CN[C@@H]1CCC12CCC2 ZINC000669700832 487696569 /nfs/dbraw/zinc/69/65/69/487696569.db2.gz HEHKWCXNSKSAPN-OAHLLOKOSA-N 0 3 245.366 3.426 20 0 BGADHN Cc1cc([C@@H](C)NC(C(C)C)C(C)C)nn1C ZINC000669701499 487697746 /nfs/dbraw/zinc/69/77/46/487697746.db2.gz YUBOVUGELDAZTN-GFCCVEGCSA-N 0 3 237.391 3.060 20 0 BGADHN Cc1cc([C@H](C)NC(C(C)C)C(C)C)nn1C ZINC000669701500 487697724 /nfs/dbraw/zinc/69/77/24/487697724.db2.gz YUBOVUGELDAZTN-LBPRGKRZSA-N 0 3 237.391 3.060 20 0 BGADHN CN(C)Cc1cccc(N[C@H]2CCC23CCC3)c1 ZINC000669702086 487698835 /nfs/dbraw/zinc/69/88/35/487698835.db2.gz KIOOOMGTGNQHNT-HNNXBMFYSA-N 0 3 244.382 3.493 20 0 BGADHN CN(C)Cc1cccc(N[C@@H]2CCC23CCC3)c1 ZINC000669702087 487699067 /nfs/dbraw/zinc/69/90/67/487699067.db2.gz KIOOOMGTGNQHNT-OAHLLOKOSA-N 0 3 244.382 3.493 20 0 BGADHN CCCN(CC)Cc1cccc(OC)c1F ZINC000669706833 487708200 /nfs/dbraw/zinc/70/82/00/487708200.db2.gz LIGUSZWWRFCQIW-UHFFFAOYSA-N 0 3 225.307 3.066 20 0 BGADHN CCCCN(CC)Cc1cccc(OC)c1F ZINC000669706925 487709354 /nfs/dbraw/zinc/70/93/54/487709354.db2.gz WVZNUSKQVCYZRF-UHFFFAOYSA-N 0 3 239.334 3.456 20 0 BGADHN CCCN(CCC)Cc1cccc(OC)c1F ZINC000669706940 487709338 /nfs/dbraw/zinc/70/93/38/487709338.db2.gz ZSCHTYGDDBDVHH-UHFFFAOYSA-N 0 3 239.334 3.456 20 0 BGADHN COc1cccc(CN(C)[C@H](C)C(C)C)c1F ZINC000669707295 487710358 /nfs/dbraw/zinc/71/03/58/487710358.db2.gz NCPMJZARVJPGGI-LLVKDONJSA-N 0 3 239.334 3.311 20 0 BGADHN COc1cccc(CN(C)[C@@H](C)C(C)C)c1F ZINC000669707296 487710378 /nfs/dbraw/zinc/71/03/78/487710378.db2.gz NCPMJZARVJPGGI-NSHDSACASA-N 0 3 239.334 3.311 20 0 BGADHN CCC[C@@H](C)N(C)Cc1cccc(OC)c1F ZINC000669707399 487709686 /nfs/dbraw/zinc/70/96/86/487709686.db2.gz VEUFQSNXLBXWGB-LLVKDONJSA-N 0 3 239.334 3.455 20 0 BGADHN CCC[C@H](C)N(C)Cc1cccc(OC)c1F ZINC000669707400 487709726 /nfs/dbraw/zinc/70/97/26/487709726.db2.gz VEUFQSNXLBXWGB-NSHDSACASA-N 0 3 239.334 3.455 20 0 BGADHN COc1cccc(CN(C)CC(C)(C)C)c1F ZINC000669707623 487711061 /nfs/dbraw/zinc/71/10/61/487711061.db2.gz UCTDTAUUBOLVDO-UHFFFAOYSA-N 0 3 239.334 3.312 20 0 BGADHN CC[C@@H]1CCCN1Cc1cccc(OC)c1F ZINC000669707718 487710904 /nfs/dbraw/zinc/71/09/04/487710904.db2.gz KHKIMPATBMOESO-GFCCVEGCSA-N 0 3 237.318 3.209 20 0 BGADHN CC[C@H]1CCCN1Cc1cccc(OC)c1F ZINC000669707719 487710887 /nfs/dbraw/zinc/71/08/87/487710887.db2.gz KHKIMPATBMOESO-LBPRGKRZSA-N 0 3 237.318 3.209 20 0 BGADHN CCC(C)(C)N(C)Cc1cccc(OC)c1F ZINC000669708328 487712249 /nfs/dbraw/zinc/71/22/49/487712249.db2.gz AEEVPDBCUJHZQQ-UHFFFAOYSA-N 0 3 239.334 3.455 20 0 BGADHN CCN(Cc1cccc(OC)c1F)C1CCC1 ZINC000669708744 487712650 /nfs/dbraw/zinc/71/26/50/487712650.db2.gz ZSUKCRXPSNKUGT-UHFFFAOYSA-N 0 3 237.318 3.209 20 0 BGADHN COc1cccc(CN2C[C@H](C)C[C@H]2C)c1F ZINC000669708890 487712288 /nfs/dbraw/zinc/71/22/88/487712288.db2.gz RWJPFEDBOIIMEV-GHMZBOCLSA-N 0 3 237.318 3.065 20 0 BGADHN COc1cccc(CN2C[C@H](C)C[C@@H]2C)c1F ZINC000669708891 487712358 /nfs/dbraw/zinc/71/23/58/487712358.db2.gz RWJPFEDBOIIMEV-MNOVXSKESA-N 0 3 237.318 3.065 20 0 BGADHN COc1cccc(CN2C[C@@H](C)C[C@@H]2C)c1F ZINC000669708892 487712347 /nfs/dbraw/zinc/71/23/47/487712347.db2.gz RWJPFEDBOIIMEV-QWRGUYRKSA-N 0 3 237.318 3.065 20 0 BGADHN COc1cccc(CN2C[C@@H](C)C[C@H]2C)c1F ZINC000669708893 487712333 /nfs/dbraw/zinc/71/23/33/487712333.db2.gz RWJPFEDBOIIMEV-WDEREUQCSA-N 0 3 237.318 3.065 20 0 BGADHN COc1cccc(CN2CC[C@@H]3CCC[C@@H]32)c1F ZINC000669712454 487715698 /nfs/dbraw/zinc/71/56/98/487715698.db2.gz HLOPFXGYUPFNSO-AAEUAGOBSA-N 0 3 249.329 3.209 20 0 BGADHN COc1cccc(CN2CC[C@H]3CCC[C@H]32)c1F ZINC000669712455 487715767 /nfs/dbraw/zinc/71/57/67/487715767.db2.gz HLOPFXGYUPFNSO-DGCLKSJQSA-N 0 3 249.329 3.209 20 0 BGADHN COc1cccc(CN2CC[C@@H]3CCC[C@H]32)c1F ZINC000669712456 487715810 /nfs/dbraw/zinc/71/58/10/487715810.db2.gz HLOPFXGYUPFNSO-WCQYABFASA-N 0 3 249.329 3.209 20 0 BGADHN COc1cccc(CN2CC[C@H]3CCC[C@@H]32)c1F ZINC000669712457 487715588 /nfs/dbraw/zinc/71/55/88/487715588.db2.gz HLOPFXGYUPFNSO-YPMHNXCESA-N 0 3 249.329 3.209 20 0 BGADHN Fc1cccc(CN[C@H]2CCC[C@H]3C[C@H]32)c1F ZINC000669831299 487867428 /nfs/dbraw/zinc/86/74/28/487867428.db2.gz WUILHZHLJITMJT-NDMJEZRESA-N 0 3 237.293 3.243 20 0 BGADHN CC(C)c1cc(CN[C@@H]2CCC[C@H]3C[C@H]32)on1 ZINC000669847328 487881677 /nfs/dbraw/zinc/88/16/77/487881677.db2.gz LEZCLCKAEBMVSC-CYZMBNFOSA-N 0 3 234.343 3.076 20 0 BGADHN CC(C)c1cc(CN[C@H]2CCC[C@H]3C[C@H]32)on1 ZINC000669847329 487881751 /nfs/dbraw/zinc/88/17/51/487881751.db2.gz LEZCLCKAEBMVSC-UHTWSYAYSA-N 0 3 234.343 3.076 20 0 BGADHN CC(C)c1cc(CN[C@H]2CC[C@H]2C2CCC2)on1 ZINC000669847362 487881566 /nfs/dbraw/zinc/88/15/66/487881566.db2.gz WMLPJJHSYJTTJV-KBPBESRZSA-N 0 3 248.370 3.466 20 0 BGADHN CC(C)c1cc(CN[C@H]2CC[C@@H]2C2CCC2)on1 ZINC000669847363 487881527 /nfs/dbraw/zinc/88/15/27/487881527.db2.gz WMLPJJHSYJTTJV-KGLIPLIRSA-N 0 3 248.370 3.466 20 0 BGADHN CC(C)c1cc(CN[C@@H]2CC[C@H]2C2CCC2)on1 ZINC000669847364 487881741 /nfs/dbraw/zinc/88/17/41/487881741.db2.gz WMLPJJHSYJTTJV-UONOGXRCSA-N 0 3 248.370 3.466 20 0 BGADHN CC(C)c1cc(CN[C@@H]2CC[C@@H]2C2CCC2)on1 ZINC000669847365 487881186 /nfs/dbraw/zinc/88/11/86/487881186.db2.gz WMLPJJHSYJTTJV-ZIAGYGMSSA-N 0 3 248.370 3.466 20 0 BGADHN COC[C@H](N[C@H]1CCC[C@H]2C[C@H]21)c1ccc(C)o1 ZINC000669847516 487881592 /nfs/dbraw/zinc/88/15/92/487881592.db2.gz CXBXMTMKLYEYIR-CRWXNKLISA-N 0 3 249.354 3.054 20 0 BGADHN COC[C@H](N[C@@H]1CCC[C@H]2C[C@H]21)c1ccc(C)o1 ZINC000669847517 487881584 /nfs/dbraw/zinc/88/15/84/487881584.db2.gz CXBXMTMKLYEYIR-DGAVXFQQSA-N 0 3 249.354 3.054 20 0 BGADHN COC[C@@H](N[C@@H]1CCC[C@H]2C[C@H]21)c1ccc(C)o1 ZINC000669847518 487881712 /nfs/dbraw/zinc/88/17/12/487881712.db2.gz CXBXMTMKLYEYIR-REWJHTLYSA-N 0 3 249.354 3.054 20 0 BGADHN COC[C@@H](N[C@H]1CCC[C@H]2C[C@H]21)c1ccc(C)o1 ZINC000669847519 487881139 /nfs/dbraw/zinc/88/11/39/487881139.db2.gz CXBXMTMKLYEYIR-RFQIPJPRSA-N 0 3 249.354 3.054 20 0 BGADHN C1=C[C@H]2CC[C@@H](C1)N2C[C@H]1CCC2(CCCC2)O1 ZINC000669932169 487935553 /nfs/dbraw/zinc/93/55/53/487935553.db2.gz KIBKMLCINPHKHN-RRFJBIMHSA-N 0 3 247.382 3.271 20 0 BGADHN C1=C[C@H]2CC[C@@H](C1)N2C[C@@H]1CCC2(CCCC2)O1 ZINC000669932170 487935384 /nfs/dbraw/zinc/93/53/84/487935384.db2.gz KIBKMLCINPHKHN-ZNMIVQPWSA-N 0 3 247.382 3.271 20 0 BGADHN C[C@H](NC[C@H]1CCC2(CCCC2)O1)c1ccoc1 ZINC000669933206 487937617 /nfs/dbraw/zinc/93/76/17/487937617.db2.gz SOWVAYXHECWCQB-GXTWGEPZSA-N 0 3 249.354 3.422 20 0 BGADHN C[C@H](NC[C@@H]1CCC2(CCCC2)O1)c1ccoc1 ZINC000669933207 487937396 /nfs/dbraw/zinc/93/73/96/487937396.db2.gz SOWVAYXHECWCQB-JSGCOSHPSA-N 0 3 249.354 3.422 20 0 BGADHN C[C@@H](NC[C@@H]1CCC2(CCCC2)O1)c1ccoc1 ZINC000669933208 487937403 /nfs/dbraw/zinc/93/74/03/487937403.db2.gz SOWVAYXHECWCQB-OCCSQVGLSA-N 0 3 249.354 3.422 20 0 BGADHN C[C@@H](NC[C@H]1CCC2(CCCC2)O1)c1ccoc1 ZINC000669933209 487937466 /nfs/dbraw/zinc/93/74/66/487937466.db2.gz SOWVAYXHECWCQB-TZMCWYRMSA-N 0 3 249.354 3.422 20 0 BGADHN F[C@@]1(c2ccccc2)CCN(C2CCCC2)C1 ZINC000669942721 487949900 /nfs/dbraw/zinc/94/99/00/487949900.db2.gz LLCIBMRCDGNUTF-HNNXBMFYSA-N 0 3 233.330 3.500 20 0 BGADHN F[C@]1(c2ccccc2)CCN(C2CCCC2)C1 ZINC000669942722 487949862 /nfs/dbraw/zinc/94/98/62/487949862.db2.gz LLCIBMRCDGNUTF-OAHLLOKOSA-N 0 3 233.330 3.500 20 0 BGADHN CC1(C)SC[C@H]1NCc1cc2ccccc2[nH]1 ZINC000669999295 487986839 /nfs/dbraw/zinc/98/68/39/487986839.db2.gz WGRFYKQGDSYBFJ-CYBMUJFWSA-N 0 3 246.379 3.152 20 0 BGADHN CC1(C)SC[C@@H]1NCc1cc2ccccc2[nH]1 ZINC000669999296 487986799 /nfs/dbraw/zinc/98/67/99/487986799.db2.gz WGRFYKQGDSYBFJ-ZDUSSCGKSA-N 0 3 246.379 3.152 20 0 BGADHN CO[C@@H](CN1CCC2(CC2)CC1)c1ccccc1 ZINC000670084673 488073076 /nfs/dbraw/zinc/07/30/76/488073076.db2.gz SYEKHFDFDFBSHK-HNNXBMFYSA-N 0 3 245.366 3.250 20 0 BGADHN CO[C@H](CN1CCC2(CC2)CC1)c1ccccc1 ZINC000670084674 488073203 /nfs/dbraw/zinc/07/32/03/488073203.db2.gz SYEKHFDFDFBSHK-OAHLLOKOSA-N 0 3 245.366 3.250 20 0 BGADHN CCCCCN1CCOc2cc(OC)ccc2C1 ZINC000670097250 488096184 /nfs/dbraw/zinc/09/61/84/488096184.db2.gz GWKBGAOOXAGWJJ-UHFFFAOYSA-N 0 3 249.354 3.080 20 0 BGADHN CCCC[C@@H](CC)CN1CCOCC12CC2 ZINC000670106716 488111399 /nfs/dbraw/zinc/11/13/99/488111399.db2.gz XYIVPYIZZIYQKR-CYBMUJFWSA-N 0 3 225.376 3.068 20 0 BGADHN CCCC[C@H](CC)CN1CCOCC12CC2 ZINC000670106717 488110995 /nfs/dbraw/zinc/11/09/95/488110995.db2.gz XYIVPYIZZIYQKR-ZDUSSCGKSA-N 0 3 225.376 3.068 20 0 BGADHN Cc1cc(CN[C@@H](CCC(C)C)C2CC2)ncn1 ZINC000670155457 491081680 /nfs/dbraw/zinc/08/16/80/491081680.db2.gz PJEJYLJNZJBBOO-HNNXBMFYSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1cc(CN[C@H](CCC(C)C)C2CC2)ncn1 ZINC000670155458 491081685 /nfs/dbraw/zinc/08/16/85/491081685.db2.gz PJEJYLJNZJBBOO-OAHLLOKOSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1cccc2c1CC[C@@H]2N[C@H]1CSC1(C)C ZINC000670160277 487518526 /nfs/dbraw/zinc/51/85/26/487518526.db2.gz KKWAAFIWHYQFCO-KBPBESRZSA-N 0 3 247.407 3.466 20 0 BGADHN Cc1cccc2c1CC[C@H]2N[C@H]1CSC1(C)C ZINC000670160278 487518618 /nfs/dbraw/zinc/51/86/18/487518618.db2.gz KKWAAFIWHYQFCO-KGLIPLIRSA-N 0 3 247.407 3.466 20 0 BGADHN Cc1cccc2c1CC[C@@H]2N[C@@H]1CSC1(C)C ZINC000670160279 487518708 /nfs/dbraw/zinc/51/87/08/487518708.db2.gz KKWAAFIWHYQFCO-UONOGXRCSA-N 0 3 247.407 3.466 20 0 BGADHN Cc1cccc2c1CC[C@H]2N[C@@H]1CSC1(C)C ZINC000670160280 487518672 /nfs/dbraw/zinc/51/86/72/487518672.db2.gz KKWAAFIWHYQFCO-ZIAGYGMSSA-N 0 3 247.407 3.466 20 0 BGADHN C[C@H](CN(C)Cc1ccco1)C(C)(C)C ZINC000670261638 487854748 /nfs/dbraw/zinc/85/47/48/487854748.db2.gz ORJGNMWCMXQLIZ-LLVKDONJSA-N 0 3 209.333 3.394 20 0 BGADHN C[C@@H](CN(C)Cc1ccco1)C(C)(C)C ZINC000670261639 487855011 /nfs/dbraw/zinc/85/50/11/487855011.db2.gz ORJGNMWCMXQLIZ-NSHDSACASA-N 0 3 209.333 3.394 20 0 BGADHN Cc1noc(C)c1CN(C)C[C@H](C)C(C)(C)C ZINC000670262641 487860205 /nfs/dbraw/zinc/86/02/05/487860205.db2.gz WOHGVGBTGSIRRC-JTQLQIEISA-N 0 3 238.375 3.405 20 0 BGADHN Cc1noc(C)c1CN(C)C[C@@H](C)C(C)(C)C ZINC000670262642 487860140 /nfs/dbraw/zinc/86/01/40/487860140.db2.gz WOHGVGBTGSIRRC-SNVBAGLBSA-N 0 3 238.375 3.405 20 0 BGADHN C[C@H](CN(C)Cc1ccoc1)C(C)(C)C ZINC000670262698 487860049 /nfs/dbraw/zinc/86/00/49/487860049.db2.gz AXRJNDDYOBVLFZ-LLVKDONJSA-N 0 3 209.333 3.394 20 0 BGADHN C[C@@H](CN(C)Cc1ccoc1)C(C)(C)C ZINC000670262699 487859901 /nfs/dbraw/zinc/85/99/01/487859901.db2.gz AXRJNDDYOBVLFZ-NSHDSACASA-N 0 3 209.333 3.394 20 0 BGADHN CCn1cc(CN(C)C[C@@H](C)C(C)(C)C)cn1 ZINC000670264549 487865209 /nfs/dbraw/zinc/86/52/09/487865209.db2.gz UVAYZVODXKGDIO-GFCCVEGCSA-N 0 3 237.391 3.017 20 0 BGADHN CCn1cc(CN(C)C[C@H](C)C(C)(C)C)cn1 ZINC000670264550 487865705 /nfs/dbraw/zinc/86/57/05/487865705.db2.gz UVAYZVODXKGDIO-LBPRGKRZSA-N 0 3 237.391 3.017 20 0 BGADHN CCC[C@@H]1CN(C[C@@H](C)C(C)(C)C)CCO1 ZINC000670264665 487867229 /nfs/dbraw/zinc/86/72/29/487867229.db2.gz LIJUSHHNJAFJRG-CHWSQXEVSA-N 0 3 227.392 3.170 20 0 BGADHN CCC[C@H]1CN(C[C@@H](C)C(C)(C)C)CCO1 ZINC000670264666 487867499 /nfs/dbraw/zinc/86/74/99/487867499.db2.gz LIJUSHHNJAFJRG-OLZOCXBDSA-N 0 3 227.392 3.170 20 0 BGADHN CCC[C@@H]1CN(C[C@H](C)C(C)(C)C)CCO1 ZINC000670264667 487868174 /nfs/dbraw/zinc/86/81/74/487868174.db2.gz LIJUSHHNJAFJRG-QWHCGFSZSA-N 0 3 227.392 3.170 20 0 BGADHN CCC[C@H]1CN(C[C@H](C)C(C)(C)C)CCO1 ZINC000670264668 487867772 /nfs/dbraw/zinc/86/77/72/487867772.db2.gz LIJUSHHNJAFJRG-STQMWFEESA-N 0 3 227.392 3.170 20 0 BGADHN COC[C@H](NC[C@@H](C)C(C)(C)C)c1ccco1 ZINC000670267662 487876186 /nfs/dbraw/zinc/87/61/86/487876186.db2.gz ORNKCBYKQZQSHC-NEPJUHHUSA-N 0 3 239.359 3.239 20 0 BGADHN COC[C@@H](NC[C@H](C)C(C)(C)C)c1ccco1 ZINC000670267663 487875833 /nfs/dbraw/zinc/87/58/33/487875833.db2.gz ORNKCBYKQZQSHC-NWDGAFQWSA-N 0 3 239.359 3.239 20 0 BGADHN COC[C@H](NC[C@H](C)C(C)(C)C)c1ccco1 ZINC000670267664 487876242 /nfs/dbraw/zinc/87/62/42/487876242.db2.gz ORNKCBYKQZQSHC-RYUDHWBXSA-N 0 3 239.359 3.239 20 0 BGADHN COC[C@@H](NC[C@@H](C)C(C)(C)C)c1ccco1 ZINC000670267665 487876022 /nfs/dbraw/zinc/87/60/22/487876022.db2.gz ORNKCBYKQZQSHC-VXGBXAGGSA-N 0 3 239.359 3.239 20 0 BGADHN C[C@H](CN(C)Cc1cccnc1)C(C)(C)C ZINC000670268471 487878250 /nfs/dbraw/zinc/87/82/50/487878250.db2.gz IUOWTKWSYVEUAB-GFCCVEGCSA-N 0 3 220.360 3.196 20 0 BGADHN C[C@@H](CN(C)Cc1cccnc1)C(C)(C)C ZINC000670268472 487878225 /nfs/dbraw/zinc/87/82/25/487878225.db2.gz IUOWTKWSYVEUAB-LBPRGKRZSA-N 0 3 220.360 3.196 20 0 BGADHN C[C@H](CN(C)Cc1ccccn1)C(C)(C)C ZINC000670269062 487880202 /nfs/dbraw/zinc/88/02/02/487880202.db2.gz NLXQOBFCGNXUNQ-GFCCVEGCSA-N 0 3 220.360 3.196 20 0 BGADHN C[C@@H](CN(C)Cc1ccccn1)C(C)(C)C ZINC000670269063 487880769 /nfs/dbraw/zinc/88/07/69/487880769.db2.gz NLXQOBFCGNXUNQ-LBPRGKRZSA-N 0 3 220.360 3.196 20 0 BGADHN C[C@@H](CN1CCc2ncsc2C1)C(C)(C)C ZINC000670269807 487882204 /nfs/dbraw/zinc/88/22/04/487882204.db2.gz NGUOFNZAMHQKCE-JTQLQIEISA-N 0 3 238.400 3.183 20 0 BGADHN C[C@H](CN1CCc2ncsc2C1)C(C)(C)C ZINC000670269808 487882441 /nfs/dbraw/zinc/88/24/41/487882441.db2.gz NGUOFNZAMHQKCE-SNVBAGLBSA-N 0 3 238.400 3.183 20 0 BGADHN Cc1cc(C(F)(F)F)ccc1CN1CC(C)C1 ZINC000670270648 487886731 /nfs/dbraw/zinc/88/67/31/487886731.db2.gz KDYNZHVNOMGHSO-UHFFFAOYSA-N 0 3 243.272 3.466 20 0 BGADHN CC1CN(Cc2ccccc2C2CC2)C1 ZINC000670270658 487887507 /nfs/dbraw/zinc/88/75/07/487887507.db2.gz RJZXXBGGVLAHHE-UHFFFAOYSA-N 0 3 201.313 3.016 20 0 BGADHN CCCc1ccc(CN2CC(C)C2)cc1 ZINC000670270659 487887933 /nfs/dbraw/zinc/88/79/33/487887933.db2.gz RUKSQVVNRMYFIP-UHFFFAOYSA-N 0 3 203.329 3.091 20 0 BGADHN CC1CN(Cc2cc3ccccc3s2)C1 ZINC000670270662 487887841 /nfs/dbraw/zinc/88/78/41/487887841.db2.gz XYVYMKPLERWPJY-UHFFFAOYSA-N 0 3 217.337 3.353 20 0 BGADHN CC(C)(CNCc1ccc(O)cc1)C(F)(F)F ZINC000670271031 487891615 /nfs/dbraw/zinc/89/16/15/487891615.db2.gz KEPOUKBVYMFBES-UHFFFAOYSA-N 0 3 247.260 3.070 20 0 BGADHN CCCCCN[C@H](C)c1cn2ccccc2n1 ZINC000671098251 487873594 /nfs/dbraw/zinc/87/35/94/487873594.db2.gz LPYLUYDHUUPJDI-GFCCVEGCSA-N 0 3 231.343 3.175 20 0 BGADHN CCCCCN[C@@H](C)c1cn2ccccc2n1 ZINC000671098252 487873644 /nfs/dbraw/zinc/87/36/44/487873644.db2.gz LPYLUYDHUUPJDI-LBPRGKRZSA-N 0 3 231.343 3.175 20 0 BGADHN Cc1noc(C)c1[C@H](C)N[C@H]1CC=C(C)CC1 ZINC000671111827 487875597 /nfs/dbraw/zinc/87/55/97/487875597.db2.gz RGSSSGMDTYJHCB-GWCFXTLKSA-N 0 3 234.343 3.441 20 0 BGADHN Cc1noc(C)c1[C@H](C)N[C@@H]1CC=C(C)CC1 ZINC000671111836 487875767 /nfs/dbraw/zinc/87/57/67/487875767.db2.gz RGSSSGMDTYJHCB-GXFFZTMASA-N 0 3 234.343 3.441 20 0 BGADHN Cc1noc(C)c1[C@@H](C)N[C@H]1CC=C(C)CC1 ZINC000671111837 487875675 /nfs/dbraw/zinc/87/56/75/487875675.db2.gz RGSSSGMDTYJHCB-MFKMUULPSA-N 0 3 234.343 3.441 20 0 BGADHN Cc1noc(C)c1[C@@H](C)N[C@@H]1CC=C(C)CC1 ZINC000671111838 487875734 /nfs/dbraw/zinc/87/57/34/487875734.db2.gz RGSSSGMDTYJHCB-ZWNOBZJWSA-N 0 3 234.343 3.441 20 0 BGADHN COC(C)(C)[C@@H](C)NCc1cc2ccccc2o1 ZINC000671116676 487911697 /nfs/dbraw/zinc/91/16/97/487911697.db2.gz DQAIELYVXPQOKS-LLVKDONJSA-N 0 3 247.338 3.336 20 0 BGADHN COC(C)(C)[C@H](C)NCc1cc2ccccc2o1 ZINC000671116677 487911658 /nfs/dbraw/zinc/91/16/58/487911658.db2.gz DQAIELYVXPQOKS-NSHDSACASA-N 0 3 247.338 3.336 20 0 BGADHN CC(C)C(CNCc1ccc(F)cn1)C(C)C ZINC000671191058 487998628 /nfs/dbraw/zinc/99/86/28/487998628.db2.gz YKVNDRARYOYOAU-UHFFFAOYSA-N 0 3 238.350 3.239 20 0 BGADHN CCCc1ccc(CNC2(COC)CCC2)cc1 ZINC000671196010 491069539 /nfs/dbraw/zinc/06/95/39/491069539.db2.gz CIGFQFNDIJTWMZ-UHFFFAOYSA-N 0 3 247.382 3.298 20 0 BGADHN CN(CCCCCF)Cc1ccsc1 ZINC000671239919 487871645 /nfs/dbraw/zinc/87/16/45/487871645.db2.gz IJMJYVBYBDUSJJ-UHFFFAOYSA-N 0 3 215.337 3.320 20 0 BGADHN FCCCCCN1CCOc2ccccc2C1 ZINC000671240181 487872563 /nfs/dbraw/zinc/87/25/63/487872563.db2.gz PVFAIHGCXTZWHV-UHFFFAOYSA-N 0 3 237.318 3.021 20 0 BGADHN CCN(CCCCCF)CCC(F)(F)F ZINC000671240492 487872606 /nfs/dbraw/zinc/87/26/06/487872606.db2.gz OULWIADXGWUMAQ-UHFFFAOYSA-N 0 3 229.261 3.401 20 0 BGADHN CCN(CCCCCF)Cc1ccoc1 ZINC000671240753 487872360 /nfs/dbraw/zinc/87/23/60/487872360.db2.gz QHWGNZXEPOJWJN-UHFFFAOYSA-N 0 3 213.296 3.241 20 0 BGADHN CC1(C)CN(CCCCCF)C(C)(C)CO1 ZINC000671240970 487872433 /nfs/dbraw/zinc/87/24/33/487872433.db2.gz KQIKZCUGNSYJQF-UHFFFAOYSA-N 0 3 231.355 3.016 20 0 BGADHN CN(Cc1ccccn1)C(C)(C)c1ccccc1 ZINC000671245632 487888551 /nfs/dbraw/zinc/88/85/51/487888551.db2.gz INZILTVMEWEDOC-UHFFFAOYSA-N 0 3 240.350 3.449 20 0 BGADHN CN(Cc1ccncc1)C(C)(C)c1ccccc1 ZINC000671246025 487890818 /nfs/dbraw/zinc/89/08/18/487890818.db2.gz XTXFJDPLWKQRNN-UHFFFAOYSA-N 0 3 240.350 3.449 20 0 BGADHN CN(Cc1cccnc1)C(C)(C)c1ccccc1 ZINC000671246104 487891022 /nfs/dbraw/zinc/89/10/22/487891022.db2.gz ZXZDDSLBUFLZBL-UHFFFAOYSA-N 0 3 240.350 3.449 20 0 BGADHN Cc1cc(CN[C@H](C)CCC(C)(C)C)ncn1 ZINC000671298289 487493409 /nfs/dbraw/zinc/49/34/09/487493409.db2.gz XLHRCOJOIPVRBT-LLVKDONJSA-N 0 3 235.375 3.089 20 0 BGADHN Cc1cc(CN[C@@H](C)CCC(C)(C)C)ncn1 ZINC000671298290 487493425 /nfs/dbraw/zinc/49/34/25/487493425.db2.gz XLHRCOJOIPVRBT-NSHDSACASA-N 0 3 235.375 3.089 20 0 BGADHN Cc1cc(CN[C@H]2CCCCC2(C)C)nc(C)n1 ZINC000671302875 487596345 /nfs/dbraw/zinc/59/63/45/487596345.db2.gz HIDXHMMCYXVNCL-AWEZNQCLSA-N 0 3 247.386 3.152 20 0 BGADHN Cc1cc(CN[C@@H]2CCCCC2(C)C)nc(C)n1 ZINC000671302878 487596367 /nfs/dbraw/zinc/59/63/67/487596367.db2.gz HIDXHMMCYXVNCL-CQSZACIVSA-N 0 3 247.386 3.152 20 0 BGADHN CC(C)CCN(C)Cc1cnc(C(C)(C)C)nc1 ZINC000671305072 487612045 /nfs/dbraw/zinc/61/20/45/487612045.db2.gz MPINIPGCMFFYJB-UHFFFAOYSA-N 0 3 249.402 3.252 20 0 BGADHN COc1ccc(Cl)cc1CN(C)CC(C)C ZINC000671307211 487621419 /nfs/dbraw/zinc/62/14/19/487621419.db2.gz DXFWBFXUHJXHDZ-UHFFFAOYSA-N 0 3 241.762 3.436 20 0 BGADHN CN(Cc1ccn(C)c1)C(C)(C)c1ccccc1 ZINC000671309211 487625035 /nfs/dbraw/zinc/62/50/35/487625035.db2.gz KHDXLCFRCFWOCV-UHFFFAOYSA-N 0 3 242.366 3.392 20 0 BGADHN Cc1n[nH]cc1CN(C)C(C)(C)c1ccccc1 ZINC000671309271 487625530 /nfs/dbraw/zinc/62/55/30/487625530.db2.gz RBUSVUVQNXXYJO-UHFFFAOYSA-N 0 3 243.354 3.085 20 0 BGADHN CN(Cc1cccn1C)C(C)(C)c1ccccc1 ZINC000671309274 487624922 /nfs/dbraw/zinc/62/49/22/487624922.db2.gz RMADBLOYQGODKH-UHFFFAOYSA-N 0 3 242.366 3.392 20 0 BGADHN CC[C@H]1CCC[C@@H]1NCc1noc2c1CCCC2 ZINC000671627860 487656815 /nfs/dbraw/zinc/65/68/15/487656815.db2.gz CVLAIOWBHLFIQH-AAEUAGOBSA-N 0 3 248.370 3.222 20 0 BGADHN CC[C@@H]1CCC[C@H]1NCc1noc2c1CCCC2 ZINC000671627861 487656859 /nfs/dbraw/zinc/65/68/59/487656859.db2.gz CVLAIOWBHLFIQH-DGCLKSJQSA-N 0 3 248.370 3.222 20 0 BGADHN CC[C@H]1CCC[C@H]1NCc1noc2c1CCCC2 ZINC000671627862 487656569 /nfs/dbraw/zinc/65/65/69/487656569.db2.gz CVLAIOWBHLFIQH-WCQYABFASA-N 0 3 248.370 3.222 20 0 BGADHN CC[C@@H]1CCC[C@@H]1NCc1noc2c1CCCC2 ZINC000671627863 487656832 /nfs/dbraw/zinc/65/68/32/487656832.db2.gz CVLAIOWBHLFIQH-YPMHNXCESA-N 0 3 248.370 3.222 20 0 BGADHN Cc1ccc(CN(CCCCF)C2CC2)o1 ZINC000671677806 487684582 /nfs/dbraw/zinc/68/45/82/487684582.db2.gz WLYUUOMETWTUER-UHFFFAOYSA-N 0 3 225.307 3.302 20 0 BGADHN CCN(CCCCF)CCC(F)(F)F ZINC000671679831 487685724 /nfs/dbraw/zinc/68/57/24/487685724.db2.gz KFKOJXGFYUPIQQ-UHFFFAOYSA-N 0 3 215.234 3.010 20 0 BGADHN C[C@@H]1c2ccc(F)cc2CCN1CCCCF ZINC000671682276 487688790 /nfs/dbraw/zinc/68/87/90/487688790.db2.gz OCGLLEQKERDSEP-LLVKDONJSA-N 0 3 239.309 3.495 20 0 BGADHN C[C@H]1c2ccc(F)cc2CCN1CCCCF ZINC000671682277 487688475 /nfs/dbraw/zinc/68/84/75/487688475.db2.gz OCGLLEQKERDSEP-NSHDSACASA-N 0 3 239.309 3.495 20 0 BGADHN FCCCCN1CC[C@@H]1c1cccc(F)c1 ZINC000671683255 487688874 /nfs/dbraw/zinc/68/88/74/487688874.db2.gz RSPNTKDNOVGHLF-CYBMUJFWSA-N 0 3 225.282 3.322 20 0 BGADHN FCCCCN1CC[C@H]1c1cccc(F)c1 ZINC000671683256 487688662 /nfs/dbraw/zinc/68/86/62/487688662.db2.gz RSPNTKDNOVGHLF-ZDUSSCGKSA-N 0 3 225.282 3.322 20 0 BGADHN C[C@@H]1CC[C@@H](C(F)(F)F)CN1CCCCF ZINC000671686437 487691290 /nfs/dbraw/zinc/69/12/90/487691290.db2.gz UFYCVKWLLSPIGU-NXEZZACHSA-N 0 3 241.272 3.399 20 0 BGADHN C[C@H]1CC[C@H](C(F)(F)F)CN1CCCCF ZINC000671686438 487691580 /nfs/dbraw/zinc/69/15/80/487691580.db2.gz UFYCVKWLLSPIGU-UWVGGRQHSA-N 0 3 241.272 3.399 20 0 BGADHN C[C@H]1CC[C@@H](C(F)(F)F)CN1CCCCF ZINC000671686439 487691546 /nfs/dbraw/zinc/69/15/46/487691546.db2.gz UFYCVKWLLSPIGU-VHSXEESVSA-N 0 3 241.272 3.399 20 0 BGADHN C[C@@H]1CC[C@H](C(F)(F)F)CN1CCCCF ZINC000671686440 487691794 /nfs/dbraw/zinc/69/17/94/487691794.db2.gz UFYCVKWLLSPIGU-ZJUUUORDSA-N 0 3 241.272 3.399 20 0 BGADHN Cc1ccc2c(c1)CN(C1CCCC1)CCO2 ZINC000671722810 487708443 /nfs/dbraw/zinc/70/84/43/487708443.db2.gz DMVLAPFGIYWZJN-UHFFFAOYSA-N 0 3 231.339 3.132 20 0 BGADHN Cc1noc(C)c1CCN1CCC2(CCC2)CC1 ZINC000671728540 487711088 /nfs/dbraw/zinc/71/10/88/487711088.db2.gz XDIHWADVJXPCAT-UHFFFAOYSA-N 0 3 248.370 3.100 20 0 BGADHN C[C@H](c1ccccn1)N1CCC2(CCC2)CC1 ZINC000671728542 487711495 /nfs/dbraw/zinc/71/14/95/487711495.db2.gz RQCYJRNPJYFZCW-CYBMUJFWSA-N 0 3 230.355 3.409 20 0 BGADHN C[C@@H](c1ccccn1)N1CCC2(CCC2)CC1 ZINC000671728545 487711541 /nfs/dbraw/zinc/71/15/41/487711541.db2.gz RQCYJRNPJYFZCW-ZDUSSCGKSA-N 0 3 230.355 3.409 20 0 BGADHN Cc1ncc(CN2CCC3(CCC3)CC2)s1 ZINC000671728624 487711342 /nfs/dbraw/zinc/71/13/42/487711342.db2.gz ZVGMNCAUKNCBHD-UHFFFAOYSA-N 0 3 236.384 3.218 20 0 BGADHN Cc1cccc(CN2CCC3(CCC3)CC2)n1 ZINC000671728658 487711030 /nfs/dbraw/zinc/71/10/30/487711030.db2.gz GRBVWISISSXVRJ-UHFFFAOYSA-N 0 3 230.355 3.156 20 0 BGADHN CCc1noc(C)c1CN1CCC2(CCC2)CC1 ZINC000671728809 487711349 /nfs/dbraw/zinc/71/13/49/487711349.db2.gz PAFLOEHGKGQPFA-UHFFFAOYSA-N 0 3 248.370 3.312 20 0 BGADHN CC(C)n1nccc1CN1CCC2(CCC2)CC1 ZINC000671728952 487711151 /nfs/dbraw/zinc/71/11/51/487711151.db2.gz QIPKGDGVZSIIBS-UHFFFAOYSA-N 0 3 247.386 3.230 20 0 BGADHN Cc1ccnc(CN2CCC3(CCC3)CC2)c1 ZINC000671729018 487710863 /nfs/dbraw/zinc/71/08/63/487710863.db2.gz CSYCODNXENBISX-UHFFFAOYSA-N 0 3 230.355 3.156 20 0 BGADHN C[C@H](c1ccncc1)N1CCC2(CCC2)CC1 ZINC000671729114 487711424 /nfs/dbraw/zinc/71/14/24/487711424.db2.gz VTGBMZUVISAFOQ-CYBMUJFWSA-N 0 3 230.355 3.409 20 0 BGADHN C[C@@H](c1ccncc1)N1CCC2(CCC2)CC1 ZINC000671729115 487711160 /nfs/dbraw/zinc/71/11/60/487711160.db2.gz VTGBMZUVISAFOQ-ZDUSSCGKSA-N 0 3 230.355 3.409 20 0 BGADHN Cc1cccnc1CN1CCC2(CCC2)CC1 ZINC000671729202 487711378 /nfs/dbraw/zinc/71/13/78/487711378.db2.gz FXKKTUQHGGORMV-UHFFFAOYSA-N 0 3 230.355 3.156 20 0 BGADHN Cc1ccc(CN2CCC3(CCC3)CC2)nc1 ZINC000671729543 487712051 /nfs/dbraw/zinc/71/20/51/487712051.db2.gz GHVFKBDTMVUHFR-UHFFFAOYSA-N 0 3 230.355 3.156 20 0 BGADHN CCC[C@@H]1CCCC[C@H]1N[C@H](C)c1ncc[nH]1 ZINC000671745930 487719639 /nfs/dbraw/zinc/71/96/39/487719639.db2.gz ZHLPFLYLXIWPFI-JHJVBQTASA-N 0 3 235.375 3.419 20 0 BGADHN CCC[C@@H]1CCCC[C@@H]1N[C@H](C)c1ncc[nH]1 ZINC000671745931 487720011 /nfs/dbraw/zinc/72/00/11/487720011.db2.gz ZHLPFLYLXIWPFI-UPJWGTAASA-N 0 3 235.375 3.419 20 0 BGADHN CCC[C@@H]1CCCC[C@@H]1N[C@@H](C)c1ncc[nH]1 ZINC000671745932 487719884 /nfs/dbraw/zinc/71/98/84/487719884.db2.gz ZHLPFLYLXIWPFI-XQQFMLRXSA-N 0 3 235.375 3.419 20 0 BGADHN CCC[C@@H]1CCCC[C@H]1N[C@@H](C)c1ncc[nH]1 ZINC000671745933 487719710 /nfs/dbraw/zinc/71/97/10/487719710.db2.gz ZHLPFLYLXIWPFI-YNEHKIRRSA-N 0 3 235.375 3.419 20 0 BGADHN CC[C@H](NCc1cc(C)n[nH]1)c1cccc(C)c1 ZINC000671748200 487743020 /nfs/dbraw/zinc/74/30/20/487743020.db2.gz OCPSNVFXDGAQMG-HNNXBMFYSA-N 0 3 243.354 3.267 20 0 BGADHN CC[C@H](NCc1cc(C)[nH]n1)c1cccc(C)c1 ZINC000671748200 487743018 /nfs/dbraw/zinc/74/30/18/487743018.db2.gz OCPSNVFXDGAQMG-HNNXBMFYSA-N 0 3 243.354 3.267 20 0 BGADHN CC[C@@H](NCc1cc(C)n[nH]1)c1cccc(C)c1 ZINC000671748201 487742825 /nfs/dbraw/zinc/74/28/25/487742825.db2.gz OCPSNVFXDGAQMG-OAHLLOKOSA-N 0 3 243.354 3.267 20 0 BGADHN CC[C@@H](NCc1cc(C)[nH]n1)c1cccc(C)c1 ZINC000671748201 487742823 /nfs/dbraw/zinc/74/28/23/487742823.db2.gz OCPSNVFXDGAQMG-OAHLLOKOSA-N 0 3 243.354 3.267 20 0 BGADHN CC(C)[C@@H]1CC[C@@H]1N[C@@H]1COc2ccc(F)cc21 ZINC000671760952 487830677 /nfs/dbraw/zinc/83/06/77/487830677.db2.gz OLLQHTPTORDAIB-FPMFFAJLSA-N 0 3 249.329 3.283 20 0 BGADHN CC(C)[C@@H]1CC[C@H]1N[C@@H]1COc2ccc(F)cc21 ZINC000671760953 487830317 /nfs/dbraw/zinc/83/03/17/487830317.db2.gz OLLQHTPTORDAIB-IACUBPJLSA-N 0 3 249.329 3.283 20 0 BGADHN CC(C)[C@@H]1CC[C@@H]1N[C@H]1COc2ccc(F)cc21 ZINC000671760954 487830218 /nfs/dbraw/zinc/83/02/18/487830218.db2.gz OLLQHTPTORDAIB-UBHSHLNASA-N 0 3 249.329 3.283 20 0 BGADHN CC(C)[C@@H]1CC[C@H]1N[C@H]1COc2ccc(F)cc21 ZINC000671760955 487830114 /nfs/dbraw/zinc/83/01/14/487830114.db2.gz OLLQHTPTORDAIB-YUTCNCBUSA-N 0 3 249.329 3.283 20 0 BGADHN CC(C)=CCN[C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000671762103 487834756 /nfs/dbraw/zinc/83/47/56/487834756.db2.gz ABKFSHDQDNMNOE-JTQLQIEISA-N 0 3 246.310 3.150 20 0 BGADHN CC(C)=CCN[C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000671762104 487834733 /nfs/dbraw/zinc/83/47/33/487834733.db2.gz ABKFSHDQDNMNOE-SNVBAGLBSA-N 0 3 246.310 3.150 20 0 BGADHN C[C@H](CC1CCC1)N[C@@H](c1nccn1C)C1CC1 ZINC000671766329 487854022 /nfs/dbraw/zinc/85/40/22/487854022.db2.gz FZALLVQKESGHAA-BXUZGUMPSA-N 0 3 247.386 3.040 20 0 BGADHN C[C@@H](CC1CCC1)N[C@H](c1nccn1C)C1CC1 ZINC000671766330 487853943 /nfs/dbraw/zinc/85/39/43/487853943.db2.gz FZALLVQKESGHAA-FZMZJTMJSA-N 0 3 247.386 3.040 20 0 BGADHN C[C@H](CC1CCC1)N[C@H](c1nccn1C)C1CC1 ZINC000671766331 487853874 /nfs/dbraw/zinc/85/38/74/487853874.db2.gz FZALLVQKESGHAA-RISCZKNCSA-N 0 3 247.386 3.040 20 0 BGADHN C[C@@H](CC1CCC1)N[C@@H](c1nccn1C)C1CC1 ZINC000671766332 487853688 /nfs/dbraw/zinc/85/36/88/487853688.db2.gz FZALLVQKESGHAA-SMDDNHRTSA-N 0 3 247.386 3.040 20 0 BGADHN c1ccc2c(c1)nccc2N1CCC[C@@H]2C[C@@H]21 ZINC000672322508 487871641 /nfs/dbraw/zinc/87/16/41/487871641.db2.gz CHNSLUBYUXUJKN-ABAIWWIYSA-N 0 3 224.307 3.224 20 0 BGADHN c1ccc2c(c1)nccc2N1CCC[C@H]2C[C@H]21 ZINC000672322511 487870843 /nfs/dbraw/zinc/87/08/43/487870843.db2.gz CHNSLUBYUXUJKN-XHDPSFHLSA-N 0 3 224.307 3.224 20 0 BGADHN C/C=C\CN[C@@H](C)c1ccc(OC)c(OC)c1C ZINC000672576881 488260404 /nfs/dbraw/zinc/26/04/04/488260404.db2.gz SVOQQEUSJJBRNJ-DGMVEKRQSA-N 0 3 249.354 3.239 20 0 BGADHN C/C=C/CN[C@H](C)c1ccc(OC)c(OC)c1C ZINC000672576882 488260291 /nfs/dbraw/zinc/26/02/91/488260291.db2.gz SVOQQEUSJJBRNJ-NNNHXZLVSA-N 0 3 249.354 3.239 20 0 BGADHN C/C=C/CN[C@@H](C)c1ccc(OC)c(OC)c1C ZINC000672576883 488260362 /nfs/dbraw/zinc/26/03/62/488260362.db2.gz SVOQQEUSJJBRNJ-SYTKJHMZSA-N 0 3 249.354 3.239 20 0 BGADHN C/C=C\CN[C@H](C)c1ccc(OC)c(OC)c1C ZINC000672576884 488261058 /nfs/dbraw/zinc/26/10/58/488261058.db2.gz SVOQQEUSJJBRNJ-ZHRWSRJISA-N 0 3 249.354 3.239 20 0 BGADHN CC[C@H]1CC[C@H]1NCc1cccnc1OC(C)C ZINC000672602176 488261400 /nfs/dbraw/zinc/26/14/00/488261400.db2.gz XFZDKWBTFXIKMB-GXTWGEPZSA-N 0 3 248.370 3.147 20 0 BGADHN CC[C@H]1CC[C@@H]1NCc1cccnc1OC(C)C ZINC000672602177 488261204 /nfs/dbraw/zinc/26/12/04/488261204.db2.gz XFZDKWBTFXIKMB-JSGCOSHPSA-N 0 3 248.370 3.147 20 0 BGADHN CC[C@@H]1CC[C@@H]1NCc1cccnc1OC(C)C ZINC000672602178 488261237 /nfs/dbraw/zinc/26/12/37/488261237.db2.gz XFZDKWBTFXIKMB-OCCSQVGLSA-N 0 3 248.370 3.147 20 0 BGADHN CC[C@@H]1CC[C@H]1NCc1cccnc1OC(C)C ZINC000672602179 488260732 /nfs/dbraw/zinc/26/07/32/488260732.db2.gz XFZDKWBTFXIKMB-TZMCWYRMSA-N 0 3 248.370 3.147 20 0 BGADHN FC1(CCN[C@@H]2CCCc3cccnc32)CCC1 ZINC000672616897 488262382 /nfs/dbraw/zinc/26/23/82/488262382.db2.gz OIXDQTFKLDWQQS-CYBMUJFWSA-N 0 3 248.345 3.331 20 0 BGADHN FC1(CCN[C@H]2CCCc3cccnc32)CCC1 ZINC000672616899 488262151 /nfs/dbraw/zinc/26/21/51/488262151.db2.gz OIXDQTFKLDWQQS-ZDUSSCGKSA-N 0 3 248.345 3.331 20 0 BGADHN Cc1cccc(N2CCN(CCC(C)C)CC2)c1 ZINC000673258733 488280504 /nfs/dbraw/zinc/28/05/04/488280504.db2.gz DZVIJZFAWIBHOY-UHFFFAOYSA-N 0 3 246.398 3.163 20 0 BGADHN CCC[C@H](NCc1cn(C)cn1)C1CCCCC1 ZINC000673601343 488296854 /nfs/dbraw/zinc/29/68/54/488296854.db2.gz DUUJAKJCJHTCLD-HNNXBMFYSA-N 0 3 249.402 3.259 20 0 BGADHN CCC[C@@H](NCc1cn(C)cn1)C1CCCCC1 ZINC000673601344 488297188 /nfs/dbraw/zinc/29/71/88/488297188.db2.gz DUUJAKJCJHTCLD-OAHLLOKOSA-N 0 3 249.402 3.259 20 0 BGADHN CC(C)CC[C@@H]1CCC[C@H]1NCc1cn(C)cn1 ZINC000673601431 488296790 /nfs/dbraw/zinc/29/67/90/488296790.db2.gz WPJFMDDQPIPAJE-DZGCQCFKSA-N 0 3 249.402 3.115 20 0 BGADHN CC(C)CC[C@H]1CCC[C@@H]1NCc1cn(C)cn1 ZINC000673601432 488297159 /nfs/dbraw/zinc/29/71/59/488297159.db2.gz WPJFMDDQPIPAJE-HIFRSBDPSA-N 0 3 249.402 3.115 20 0 BGADHN CC(C)CC[C@H]1CCC[C@H]1NCc1cn(C)cn1 ZINC000673601433 488297131 /nfs/dbraw/zinc/29/71/31/488297131.db2.gz WPJFMDDQPIPAJE-UKRRQHHQSA-N 0 3 249.402 3.115 20 0 BGADHN CC(C)CC[C@@H]1CCC[C@@H]1NCc1cn(C)cn1 ZINC000673601434 488296879 /nfs/dbraw/zinc/29/68/79/488296879.db2.gz WPJFMDDQPIPAJE-ZFWWWQNUSA-N 0 3 249.402 3.115 20 0 BGADHN Cn1cnc(CNCC(C)(C)C2CCCCC2)c1 ZINC000673605989 488297179 /nfs/dbraw/zinc/29/71/79/488297179.db2.gz XYOBCCCXCQRMGZ-UHFFFAOYSA-N 0 3 249.402 3.116 20 0 BGADHN CCCc1ccc(CNCC2=CCCOC2)cc1 ZINC000673615969 488298089 /nfs/dbraw/zinc/29/80/89/488298089.db2.gz FDCDYZFLZRBKEI-UHFFFAOYSA-N 0 3 245.366 3.075 20 0 BGADHN Clc1cnccc1CN1CCC[C@@H]1C1CC1 ZINC000673753222 488306473 /nfs/dbraw/zinc/30/64/73/488306473.db2.gz ILRTYBLADOFJTI-CYBMUJFWSA-N 0 3 236.746 3.109 20 0 BGADHN Clc1cnccc1CN1CCC[C@H]1C1CC1 ZINC000673753227 488306827 /nfs/dbraw/zinc/30/68/27/488306827.db2.gz ILRTYBLADOFJTI-ZDUSSCGKSA-N 0 3 236.746 3.109 20 0 BGADHN CCCc1ccc(CNCc2ccn(C)c2)cc1 ZINC000673929444 487483189 /nfs/dbraw/zinc/48/31/89/487483189.db2.gz GANAITIEZZAUQW-UHFFFAOYSA-N 0 3 242.366 3.267 20 0 BGADHN Fc1cccc([C@@H]2CCN2CCC2CC2)c1 ZINC000674008860 487497782 /nfs/dbraw/zinc/49/77/82/487497782.db2.gz DKJFUKJPOZWYBU-AWEZNQCLSA-N 0 3 219.303 3.373 20 0 BGADHN Fc1cccc([C@H]2CCN2CCC2CC2)c1 ZINC000674008861 487497706 /nfs/dbraw/zinc/49/77/06/487497706.db2.gz DKJFUKJPOZWYBU-CQSZACIVSA-N 0 3 219.303 3.373 20 0 BGADHN CC(C)CN1CC[C@@H]1c1cccc(F)c1 ZINC000674009614 487497904 /nfs/dbraw/zinc/49/79/04/487497904.db2.gz KNOPCTCDZOWIHH-CYBMUJFWSA-N 0 3 207.292 3.229 20 0 BGADHN CC(C)CN1CC[C@H]1c1cccc(F)c1 ZINC000674009615 487497828 /nfs/dbraw/zinc/49/78/28/487497828.db2.gz KNOPCTCDZOWIHH-ZDUSSCGKSA-N 0 3 207.292 3.229 20 0 BGADHN Fc1cccc([C@@H]2CCN2CC2CCC2)c1 ZINC000674013112 487499582 /nfs/dbraw/zinc/49/95/82/487499582.db2.gz KOHSUMVYLUPXMQ-AWEZNQCLSA-N 0 3 219.303 3.373 20 0 BGADHN Fc1cccc([C@H]2CCN2CC2CCC2)c1 ZINC000674013113 487500328 /nfs/dbraw/zinc/50/03/28/487500328.db2.gz KOHSUMVYLUPXMQ-CQSZACIVSA-N 0 3 219.303 3.373 20 0 BGADHN CCCCN1CC[C@@H]1c1cccc(F)c1 ZINC000674013158 487499564 /nfs/dbraw/zinc/49/95/64/487499564.db2.gz LKUBZJOBQPTKLH-CYBMUJFWSA-N 0 3 207.292 3.373 20 0 BGADHN CCCCN1CC[C@H]1c1cccc(F)c1 ZINC000674013159 487501299 /nfs/dbraw/zinc/50/12/99/487501299.db2.gz LKUBZJOBQPTKLH-ZDUSSCGKSA-N 0 3 207.292 3.373 20 0 BGADHN C[C@H](CNCc1ccccc1F)c1ccncc1 ZINC000674070206 487508652 /nfs/dbraw/zinc/50/86/52/487508652.db2.gz MYDIORISMDZXBQ-GFCCVEGCSA-N 0 3 244.313 3.114 20 0 BGADHN C[C@@H](CNCc1ccccc1F)c1ccncc1 ZINC000674070208 487508829 /nfs/dbraw/zinc/50/88/29/487508829.db2.gz MYDIORISMDZXBQ-LBPRGKRZSA-N 0 3 244.313 3.114 20 0 BGADHN c1cc([C@H]2CCCN2[C@@H]2CCCOC2)cs1 ZINC000674301181 487553258 /nfs/dbraw/zinc/55/32/58/487553258.db2.gz OORDOMFLLUVAQC-CHWSQXEVSA-N 0 3 237.368 3.064 20 0 BGADHN c1cc([C@@H]2CCCN2[C@@H]2CCCOC2)cs1 ZINC000674301182 487552884 /nfs/dbraw/zinc/55/28/84/487552884.db2.gz OORDOMFLLUVAQC-OLZOCXBDSA-N 0 3 237.368 3.064 20 0 BGADHN c1cc([C@H]2CCCN2[C@H]2CCCOC2)cs1 ZINC000674301183 487553179 /nfs/dbraw/zinc/55/31/79/487553179.db2.gz OORDOMFLLUVAQC-QWHCGFSZSA-N 0 3 237.368 3.064 20 0 BGADHN c1cc([C@@H]2CCCN2[C@H]2CCCOC2)cs1 ZINC000674301184 487552721 /nfs/dbraw/zinc/55/27/21/487552721.db2.gz OORDOMFLLUVAQC-STQMWFEESA-N 0 3 237.368 3.064 20 0 BGADHN CCc1ccc([C@H]2CCCN2[C@H]2CCCOC2)o1 ZINC000674302591 487556528 /nfs/dbraw/zinc/55/65/28/487556528.db2.gz OMVIXNIMEQVQPT-GXTWGEPZSA-N 0 3 249.354 3.158 20 0 BGADHN CCc1ccc([C@@H]2CCCN2[C@H]2CCCOC2)o1 ZINC000674302592 487556748 /nfs/dbraw/zinc/55/67/48/487556748.db2.gz OMVIXNIMEQVQPT-JSGCOSHPSA-N 0 3 249.354 3.158 20 0 BGADHN CCc1ccc([C@@H]2CCCN2[C@@H]2CCCOC2)o1 ZINC000674302593 487556575 /nfs/dbraw/zinc/55/65/75/487556575.db2.gz OMVIXNIMEQVQPT-OCCSQVGLSA-N 0 3 249.354 3.158 20 0 BGADHN CCc1ccc([C@H]2CCCN2[C@@H]2CCCOC2)o1 ZINC000674302594 487556601 /nfs/dbraw/zinc/55/66/01/487556601.db2.gz OMVIXNIMEQVQPT-TZMCWYRMSA-N 0 3 249.354 3.158 20 0 BGADHN Cn1ccc(CNCc2ccccc2C2CC2)c1 ZINC000674335140 487562021 /nfs/dbraw/zinc/56/20/21/487562021.db2.gz JBFWJJRNOIVSTQ-UHFFFAOYSA-N 0 3 240.350 3.192 20 0 BGADHN CCCN(CCC)Cc1ccc(OCC)cn1 ZINC000674388315 487569525 /nfs/dbraw/zinc/56/95/25/487569525.db2.gz QDHWDEVEOKPBBR-UHFFFAOYSA-N 0 3 236.359 3.102 20 0 BGADHN CCOc1ccc(CN2CCC[C@@H](CC)C2)nc1 ZINC000674388683 487569805 /nfs/dbraw/zinc/56/98/05/487569805.db2.gz LFOWSZZIBHCXHH-CYBMUJFWSA-N 0 3 248.370 3.102 20 0 BGADHN CCOc1ccc(CN2CCC[C@H](CC)C2)nc1 ZINC000674388686 487569702 /nfs/dbraw/zinc/56/97/02/487569702.db2.gz LFOWSZZIBHCXHH-ZDUSSCGKSA-N 0 3 248.370 3.102 20 0 BGADHN CCOc1ccc(CN(C(C)C)C2CCC2)nc1 ZINC000674389555 487569894 /nfs/dbraw/zinc/56/98/94/487569894.db2.gz WWNMXFUADGIGHC-UHFFFAOYSA-N 0 3 248.370 3.243 20 0 BGADHN CCCN(C)Cc1cc2ccccc2[nH]1 ZINC000674505142 487588800 /nfs/dbraw/zinc/58/88/00/487588800.db2.gz AILJGJCXIFGHFS-UHFFFAOYSA-N 0 3 202.301 3.010 20 0 BGADHN CC(C)N(C)Cc1cc2ccccc2[nH]1 ZINC000674505478 487589126 /nfs/dbraw/zinc/58/91/26/487589126.db2.gz IQNARTLWEBZHDI-UHFFFAOYSA-N 0 3 202.301 3.008 20 0 BGADHN COCCCCN(C)Cc1cc2ccccc2[nH]1 ZINC000674505483 487590141 /nfs/dbraw/zinc/59/01/41/487590141.db2.gz IYXDGIBDKBNEMM-UHFFFAOYSA-N 0 3 246.354 3.026 20 0 BGADHN CCCCN(C)Cc1cc2ccccc2[nH]1 ZINC000674506032 487589280 /nfs/dbraw/zinc/58/92/80/487589280.db2.gz YIYLZFSJINSWNQ-UHFFFAOYSA-N 0 3 216.328 3.400 20 0 BGADHN CN(CCC1CC1)Cc1cc2ccccc2[nH]1 ZINC000674506040 487590159 /nfs/dbraw/zinc/59/01/59/487590159.db2.gz YJWFXNILGKJULO-UHFFFAOYSA-N 0 3 228.339 3.400 20 0 BGADHN Fc1ccc(CN2CCC[C@H]2C2CC2)c(F)c1 ZINC000674694324 487607786 /nfs/dbraw/zinc/60/77/86/487607786.db2.gz NWXZADYNLODSBZ-AWEZNQCLSA-N 0 3 237.293 3.339 20 0 BGADHN Fc1ccc(CN2CCC[C@@H]2C2CC2)c(F)c1 ZINC000674694325 487607336 /nfs/dbraw/zinc/60/73/36/487607336.db2.gz NWXZADYNLODSBZ-CQSZACIVSA-N 0 3 237.293 3.339 20 0 BGADHN CCCN(CCC)Cc1cn2cccc(C)c2n1 ZINC000674713715 487607843 /nfs/dbraw/zinc/60/78/43/487607843.db2.gz URAQCPQGKJSTHN-UHFFFAOYSA-N 0 3 245.370 3.265 20 0 BGADHN CCN[C@H](C)C(=O)Nc1c(C)cccc1C(C)C ZINC000674715600 487608703 /nfs/dbraw/zinc/60/87/03/487608703.db2.gz ZTSMHHFARBZSCM-GFCCVEGCSA-N 0 3 248.370 3.055 20 0 BGADHN CCN[C@@H](C)C(=O)Nc1c(C)cccc1C(C)C ZINC000674715603 487608561 /nfs/dbraw/zinc/60/85/61/487608561.db2.gz ZTSMHHFARBZSCM-LBPRGKRZSA-N 0 3 248.370 3.055 20 0 BGADHN Cc1ccc(C)c([C@@H](C)N(C)Cc2cn[nH]c2)c1 ZINC000674753241 487613188 /nfs/dbraw/zinc/61/31/88/487613188.db2.gz DYIDGVSRCLNCSS-CYBMUJFWSA-N 0 3 243.354 3.220 20 0 BGADHN Cc1ccc(C)c([C@H](C)N(C)Cc2cn[nH]c2)c1 ZINC000674753242 487613062 /nfs/dbraw/zinc/61/30/62/487613062.db2.gz DYIDGVSRCLNCSS-ZDUSSCGKSA-N 0 3 243.354 3.220 20 0 BGADHN CC(C)CCNC(C)(C)C(=O)Nc1ccccc1 ZINC000674753925 487613233 /nfs/dbraw/zinc/61/32/33/487613233.db2.gz YQCZCVMIPJPXMJ-UHFFFAOYSA-N 0 3 248.370 3.039 20 0 BGADHN CCN(CC=C(C)C)Cc1ccccc1 ZINC000674754387 487612495 /nfs/dbraw/zinc/61/24/95/487612495.db2.gz MSNLGUSWYCLVSW-UHFFFAOYSA-N 0 3 203.329 3.475 20 0 BGADHN Cc1ccc2c(c1)[C@@H](NCc1cc[nH]c1)CC2 ZINC000674756565 487614201 /nfs/dbraw/zinc/61/42/01/487614201.db2.gz GKIJKMMFVFRJIZ-HNNXBMFYSA-N 0 3 226.323 3.100 20 0 BGADHN Cc1ccc2c(c1)[C@H](NCc1cc[nH]c1)CC2 ZINC000674756566 487614095 /nfs/dbraw/zinc/61/40/95/487614095.db2.gz GKIJKMMFVFRJIZ-OAHLLOKOSA-N 0 3 226.323 3.100 20 0 BGADHN c1cc(CN[C@H]2CSCc3ccccc32)c[nH]1 ZINC000674756728 488147866 /nfs/dbraw/zinc/14/78/66/488147866.db2.gz OMRWLXVJQJGTCD-AWEZNQCLSA-N 0 3 244.363 3.092 20 0 BGADHN c1cc(CN[C@@H]2CSCc3ccccc32)c[nH]1 ZINC000674756729 488148002 /nfs/dbraw/zinc/14/80/02/488148002.db2.gz OMRWLXVJQJGTCD-CQSZACIVSA-N 0 3 244.363 3.092 20 0 BGADHN CCC[C@@H](C)N(C)Cc1ccc(OCC)cn1 ZINC000674860106 487635962 /nfs/dbraw/zinc/63/59/62/487635962.db2.gz CXGLJMBLDQMIDU-GFCCVEGCSA-N 0 3 236.359 3.101 20 0 BGADHN CCC[C@H](C)N(C)Cc1ccc(OCC)cn1 ZINC000674860110 487635643 /nfs/dbraw/zinc/63/56/43/487635643.db2.gz CXGLJMBLDQMIDU-LBPRGKRZSA-N 0 3 236.359 3.101 20 0 BGADHN CCOc1ccc(CN(CC(C)C)C2CC2)nc1 ZINC000674860123 487636166 /nfs/dbraw/zinc/63/61/66/487636166.db2.gz DKVHJMWRMBPWEK-UHFFFAOYSA-N 0 3 248.370 3.101 20 0 BGADHN CCCCN(Cc1ccc(OCC)cn1)C1CC1 ZINC000674860444 487636154 /nfs/dbraw/zinc/63/61/54/487636154.db2.gz JZIOREGMTWSLHZ-UHFFFAOYSA-N 0 3 248.370 3.245 20 0 BGADHN CCOc1ccc(CN2CCC(CC)CC2)nc1 ZINC000674860591 487635408 /nfs/dbraw/zinc/63/54/08/487635408.db2.gz CCCNWXXQWBUZTQ-UHFFFAOYSA-N 0 3 248.370 3.102 20 0 BGADHN CCOc1ccc(CN2CCC[C@H]2C(C)C)nc1 ZINC000674861294 487636274 /nfs/dbraw/zinc/63/62/74/487636274.db2.gz UTGFJAURDFKKMC-HNNXBMFYSA-N 0 3 248.370 3.101 20 0 BGADHN CCOc1ccc(CN2CCC[C@@H]2C(C)C)nc1 ZINC000674861297 487635950 /nfs/dbraw/zinc/63/59/50/487635950.db2.gz UTGFJAURDFKKMC-OAHLLOKOSA-N 0 3 248.370 3.101 20 0 BGADHN CCOc1ccc(CN(C)CC2CCCC2)nc1 ZINC000674862253 487680368 /nfs/dbraw/zinc/68/03/68/487680368.db2.gz NCSBUFLDZPNUIY-UHFFFAOYSA-N 0 3 248.370 3.102 20 0 BGADHN CCOc1ccc(CN2CCC(C)(C)CC2)nc1 ZINC000674862606 487637179 /nfs/dbraw/zinc/63/71/79/487637179.db2.gz GHMDEUNURROSDP-UHFFFAOYSA-N 0 3 248.370 3.102 20 0 BGADHN CCOc1ccc(CN2[C@H](C)CCC[C@H]2C)nc1 ZINC000674862951 487680684 /nfs/dbraw/zinc/68/06/84/487680684.db2.gz CJLBWFUPTBDVCE-CHWSQXEVSA-N 0 3 248.370 3.243 20 0 BGADHN CCOc1ccc(CN2[C@@H](C)CCC[C@@H]2C)nc1 ZINC000674862952 487680873 /nfs/dbraw/zinc/68/08/73/487680873.db2.gz CJLBWFUPTBDVCE-STQMWFEESA-N 0 3 248.370 3.243 20 0 BGADHN CCOc1ccc(CN2CCC[C@@H](C)[C@H]2C)nc1 ZINC000674864659 487638094 /nfs/dbraw/zinc/63/80/94/487638094.db2.gz FSEGHKDXIDSVHV-CHWSQXEVSA-N 0 3 248.370 3.101 20 0 BGADHN CCOc1ccc(CN2CCC[C@H](C)[C@H]2C)nc1 ZINC000674864660 487638374 /nfs/dbraw/zinc/63/83/74/487638374.db2.gz FSEGHKDXIDSVHV-QWHCGFSZSA-N 0 3 248.370 3.101 20 0 BGADHN CCOc1ccc(CN2CCCC(C)(C)C2)nc1 ZINC000674864970 487638217 /nfs/dbraw/zinc/63/82/17/487638217.db2.gz DBCJLNKAWRREEC-UHFFFAOYSA-N 0 3 248.370 3.102 20 0 BGADHN CCOc1ccc(CN(C)C(C)(C)CC)nc1 ZINC000674865655 487638072 /nfs/dbraw/zinc/63/80/72/487638072.db2.gz OWDFNXHVNJCNEA-UHFFFAOYSA-N 0 3 236.359 3.101 20 0 BGADHN CCOc1ccc(CN2C[C@@H](C)C[C@H]2CC)nc1 ZINC000674866284 487638400 /nfs/dbraw/zinc/63/84/00/487638400.db2.gz LZCGGJUEMYANPK-GXTWGEPZSA-N 0 3 248.370 3.101 20 0 BGADHN CCOc1ccc(CN2C[C@@H](C)C[C@@H]2CC)nc1 ZINC000674866285 487638417 /nfs/dbraw/zinc/63/84/17/487638417.db2.gz LZCGGJUEMYANPK-JSGCOSHPSA-N 0 3 248.370 3.101 20 0 BGADHN CCOc1ccc(CN2C[C@H](C)C[C@@H]2CC)nc1 ZINC000674866286 487638363 /nfs/dbraw/zinc/63/83/63/487638363.db2.gz LZCGGJUEMYANPK-OCCSQVGLSA-N 0 3 248.370 3.101 20 0 BGADHN CCOc1ccc(CN2C[C@H](C)C[C@H]2CC)nc1 ZINC000674866287 487638343 /nfs/dbraw/zinc/63/83/43/487638343.db2.gz LZCGGJUEMYANPK-TZMCWYRMSA-N 0 3 248.370 3.101 20 0 BGADHN CCOc1ccc(CN2C[C@H](C)CC[C@H]2C)nc1 ZINC000674866290 487684201 /nfs/dbraw/zinc/68/42/01/487684201.db2.gz MHXPHYZEKPYQFX-CHWSQXEVSA-N 0 3 248.370 3.101 20 0 BGADHN CCOc1ccc(CN2C[C@@H](C)CC[C@H]2C)nc1 ZINC000674866291 487684061 /nfs/dbraw/zinc/68/40/61/487684061.db2.gz MHXPHYZEKPYQFX-QWHCGFSZSA-N 0 3 248.370 3.101 20 0 BGADHN CCOc1ccc(CN(C)[C@H](C)C2(C)CC2)nc1 ZINC000674867183 487637969 /nfs/dbraw/zinc/63/79/69/487637969.db2.gz CZWSCXSDNATEEW-GFCCVEGCSA-N 0 3 248.370 3.101 20 0 BGADHN CCOc1ccc(CN(C)[C@@H](C)C2(C)CC2)nc1 ZINC000674867184 487638130 /nfs/dbraw/zinc/63/81/30/487638130.db2.gz CZWSCXSDNATEEW-LBPRGKRZSA-N 0 3 248.370 3.101 20 0 BGADHN CC(C)[C@@H]1CCN(Cc2noc3c2CCCC3)C1 ZINC000674867831 487639231 /nfs/dbraw/zinc/63/92/31/487639231.db2.gz JXFPBDQNTIHHSB-GFCCVEGCSA-N 0 3 248.370 3.031 20 0 BGADHN CC(C)[C@H]1CCN(Cc2noc3c2CCCC3)C1 ZINC000674867833 487639206 /nfs/dbraw/zinc/63/92/06/487639206.db2.gz JXFPBDQNTIHHSB-LBPRGKRZSA-N 0 3 248.370 3.031 20 0 BGADHN Cc1nc(CN2CCC[C@@H]2C2CC2)sc1C ZINC000674879263 487640793 /nfs/dbraw/zinc/64/07/93/487640793.db2.gz XQWDBADSZOCTLB-GFCCVEGCSA-N 0 3 236.384 3.134 20 0 BGADHN Cc1nc(CN2CCC[C@H]2C2CC2)sc1C ZINC000674879276 487640892 /nfs/dbraw/zinc/64/08/92/487640892.db2.gz XQWDBADSZOCTLB-LBPRGKRZSA-N 0 3 236.384 3.134 20 0 BGADHN CN(CCCOC(C)(C)C)Cc1cccs1 ZINC000674901985 487647032 /nfs/dbraw/zinc/64/70/32/487647032.db2.gz NBJRNEOXBBMPSK-UHFFFAOYSA-N 0 3 241.400 3.385 20 0 BGADHN CC(C)(C)OCCCN1CCc2ccccc2C1 ZINC000674902050 487647093 /nfs/dbraw/zinc/64/70/93/487647093.db2.gz LIRYCQGEFWIIRX-UHFFFAOYSA-N 0 3 247.382 3.250 20 0 BGADHN CN(CCCOC(C)(C)C)Cc1ccsc1 ZINC000674902318 487646537 /nfs/dbraw/zinc/64/65/37/487646537.db2.gz BTLSCUOCVCBMOL-UHFFFAOYSA-N 0 3 241.400 3.385 20 0 BGADHN Cc1ccc(CN(C)CCCOC(C)(C)C)o1 ZINC000674902431 487647641 /nfs/dbraw/zinc/64/76/41/487647641.db2.gz VCHFZLFFNBIKBQ-UHFFFAOYSA-N 0 3 239.359 3.225 20 0 BGADHN CCC(C)(C)NCc1nc2cc(F)ccc2o1 ZINC000674902535 487648103 /nfs/dbraw/zinc/64/81/03/487648103.db2.gz GKZHFURIGWZLMU-UHFFFAOYSA-N 0 3 236.290 3.245 20 0 BGADHN CCC(CC)NCc1nc2cc(F)ccc2o1 ZINC000674903495 487647679 /nfs/dbraw/zinc/64/76/79/487647679.db2.gz XIWCESJSBJZYJA-UHFFFAOYSA-N 0 3 236.290 3.245 20 0 BGADHN Cc1occc1CN(C)CCCOC(C)(C)C ZINC000674904170 487647691 /nfs/dbraw/zinc/64/76/91/487647691.db2.gz NGUQAKBVECFJAA-UHFFFAOYSA-N 0 3 239.359 3.225 20 0 BGADHN C[C@H](c1ccco1)N(C)CCCOC(C)(C)C ZINC000674905618 487649590 /nfs/dbraw/zinc/64/95/90/487649590.db2.gz UVUSXAQLWSWVAK-GFCCVEGCSA-N 0 3 239.359 3.478 20 0 BGADHN C[C@@H](c1ccco1)N(C)CCCOC(C)(C)C ZINC000674905619 487649310 /nfs/dbraw/zinc/64/93/10/487649310.db2.gz UVUSXAQLWSWVAK-LBPRGKRZSA-N 0 3 239.359 3.478 20 0 BGADHN CCN(CCCOC(C)(C)C)Cc1ccoc1 ZINC000674907006 487647018 /nfs/dbraw/zinc/64/70/18/487647018.db2.gz OHCHXEFVWASAPF-UHFFFAOYSA-N 0 3 239.359 3.307 20 0 BGADHN C[C@@H]1[C@H](C)SCCN1CCCOC(C)(C)C ZINC000674908916 487651421 /nfs/dbraw/zinc/65/14/21/487651421.db2.gz IYSVTBAHPOMNBZ-NEPJUHHUSA-N 0 3 245.432 3.017 20 0 BGADHN C[C@H]1SCCN(CCCOC(C)(C)C)[C@H]1C ZINC000674908917 487652397 /nfs/dbraw/zinc/65/23/97/487652397.db2.gz IYSVTBAHPOMNBZ-NWDGAFQWSA-N 0 3 245.432 3.017 20 0 BGADHN C[C@@H]1SCCN(CCCOC(C)(C)C)[C@H]1C ZINC000674908918 487652522 /nfs/dbraw/zinc/65/25/22/487652522.db2.gz IYSVTBAHPOMNBZ-RYUDHWBXSA-N 0 3 245.432 3.017 20 0 BGADHN C[C@H]1SCCN(CCCOC(C)(C)C)[C@@H]1C ZINC000674908919 487652482 /nfs/dbraw/zinc/65/24/82/487652482.db2.gz IYSVTBAHPOMNBZ-VXGBXAGGSA-N 0 3 245.432 3.017 20 0 BGADHN CC[C@@H]1CN(CCCOC(C)(C)C)CCS1 ZINC000674910017 487651559 /nfs/dbraw/zinc/65/15/59/487651559.db2.gz ZCFXRKPDGDUTMN-GFCCVEGCSA-N 0 3 245.432 3.019 20 0 BGADHN CC[C@H]1CN(CCCOC(C)(C)C)CCS1 ZINC000674910018 487652327 /nfs/dbraw/zinc/65/23/27/487652327.db2.gz ZCFXRKPDGDUTMN-LBPRGKRZSA-N 0 3 245.432 3.019 20 0 BGADHN CC(C)CCN1CC(c2nc3ccccc3[nH]2)C1 ZINC000675024058 487664179 /nfs/dbraw/zinc/66/41/79/487664179.db2.gz QHNHJOULJBAZGS-UHFFFAOYSA-N 0 3 243.354 3.008 20 0 BGADHN CCOCCN(C)Cc1ccc(C(C)C)cc1 ZINC000675052287 487666199 /nfs/dbraw/zinc/66/61/99/487666199.db2.gz MSCFNBVJLFIZQX-UHFFFAOYSA-N 0 3 235.371 3.278 20 0 BGADHN CCc1noc(C)c1CN(C)CCC(C)C ZINC000675123221 487671634 /nfs/dbraw/zinc/67/16/34/487671634.db2.gz NAVUFRVJOIAJJC-UHFFFAOYSA-N 0 3 224.348 3.023 20 0 BGADHN CCc1noc(C)c1CN1C2CCCC1CCC2 ZINC000675124777 487671451 /nfs/dbraw/zinc/67/14/51/487671451.db2.gz DAFTYKBPXQQEDM-UHFFFAOYSA-N 0 3 248.370 3.452 20 0 BGADHN Cc1cccn2cc(CN3[C@H](C)CC[C@@H]3C)nc12 ZINC000675127363 487672496 /nfs/dbraw/zinc/67/24/96/487672496.db2.gz KEZUWVBTXAXVIW-BETUJISGSA-N 0 3 243.354 3.016 20 0 BGADHN Cc1cccn2cc(CN3[C@H](C)CC[C@H]3C)nc12 ZINC000675127364 487672621 /nfs/dbraw/zinc/67/26/21/487672621.db2.gz KEZUWVBTXAXVIW-CHWSQXEVSA-N 0 3 243.354 3.016 20 0 BGADHN Cc1cccn2cc(CN3[C@@H](C)CC[C@@H]3C)nc12 ZINC000675127365 487672991 /nfs/dbraw/zinc/67/29/91/487672991.db2.gz KEZUWVBTXAXVIW-STQMWFEESA-N 0 3 243.354 3.016 20 0 BGADHN CCOc1ccc(CN2CC[C@](C)(CC)C2)nc1 ZINC000675185684 487679093 /nfs/dbraw/zinc/67/90/93/487679093.db2.gz HRKBTHIBDZLWQE-HNNXBMFYSA-N 0 3 248.370 3.102 20 0 BGADHN CCOc1ccc(CN2CC[C@@](C)(CC)C2)nc1 ZINC000675185685 487679558 /nfs/dbraw/zinc/67/95/58/487679558.db2.gz HRKBTHIBDZLWQE-OAHLLOKOSA-N 0 3 248.370 3.102 20 0 BGADHN Cc1nc2ccccn2c1CN(C)CCC(C)C ZINC000675245763 487683673 /nfs/dbraw/zinc/68/36/73/487683673.db2.gz JXEINIFLLBVFLN-UHFFFAOYSA-N 0 3 245.370 3.121 20 0 BGADHN FCCN[C@H](c1cccnc1)C1CCCCC1 ZINC000675247059 487683718 /nfs/dbraw/zinc/68/37/18/487683718.db2.gz AOCMRFBIOBEYPZ-AWEZNQCLSA-N 0 3 236.334 3.262 20 0 BGADHN FCCN[C@@H](c1cccnc1)C1CCCCC1 ZINC000675247073 487683657 /nfs/dbraw/zinc/68/36/57/487683657.db2.gz AOCMRFBIOBEYPZ-CQSZACIVSA-N 0 3 236.334 3.262 20 0 BGADHN CCc1ccc(CNC[C@@H](C)c2ccncc2)o1 ZINC000675475524 487738875 /nfs/dbraw/zinc/73/88/75/487738875.db2.gz JHVYHLNQULKQHT-GFCCVEGCSA-N 0 3 244.338 3.130 20 0 BGADHN CCc1ccc(CNC[C@H](C)c2ccncc2)o1 ZINC000675475535 487738818 /nfs/dbraw/zinc/73/88/18/487738818.db2.gz JHVYHLNQULKQHT-LBPRGKRZSA-N 0 3 244.338 3.130 20 0 BGADHN Cc1ccc(CCN(C)Cc2cccn2C)cc1 ZINC000675505825 487743409 /nfs/dbraw/zinc/74/34/09/487743409.db2.gz KEJJHUWUOLFCFU-UHFFFAOYSA-N 0 3 242.366 3.008 20 0 BGADHN CC(C)CC[C@H]1CCCCN1Cc1ccno1 ZINC000675508895 487743763 /nfs/dbraw/zinc/74/37/63/487743763.db2.gz FLLYAEQSVTVQDR-CYBMUJFWSA-N 0 3 236.359 3.465 20 0 BGADHN CC(C)CC[C@@H]1CCCCN1Cc1ccno1 ZINC000675508898 487743983 /nfs/dbraw/zinc/74/39/83/487743983.db2.gz FLLYAEQSVTVQDR-ZDUSSCGKSA-N 0 3 236.359 3.465 20 0 BGADHN CC[C@@H]1CO[C@H](C)CN1CCCc1ccccc1 ZINC000675631551 487756184 /nfs/dbraw/zinc/75/61/84/487756184.db2.gz FWNFUNNOUHKVBF-GDBMZVCRSA-N 0 3 247.382 3.119 20 0 BGADHN CC[C@@H]1CO[C@@H](C)CN1CCCc1ccccc1 ZINC000675631552 487755772 /nfs/dbraw/zinc/75/57/72/487755772.db2.gz FWNFUNNOUHKVBF-GOEBONIOSA-N 0 3 247.382 3.119 20 0 BGADHN CC[C@H]1CO[C@@H](C)CN1CCCc1ccccc1 ZINC000675631553 487755779 /nfs/dbraw/zinc/75/57/79/487755779.db2.gz FWNFUNNOUHKVBF-HOCLYGCPSA-N 0 3 247.382 3.119 20 0 BGADHN CC[C@H]1CO[C@H](C)CN1CCCc1ccccc1 ZINC000675631554 487755809 /nfs/dbraw/zinc/75/58/09/487755809.db2.gz FWNFUNNOUHKVBF-ZBFHGGJFSA-N 0 3 247.382 3.119 20 0 BGADHN C[C@H]1c2ccc(F)cc2CCN1CC1CC1 ZINC000675639265 487757426 /nfs/dbraw/zinc/75/74/26/487757426.db2.gz HAOIEXNYWZHXOT-JTQLQIEISA-N 0 3 219.303 3.155 20 0 BGADHN C[C@@H]1c2ccc(F)cc2CCN1CC1CC1 ZINC000675639272 487757443 /nfs/dbraw/zinc/75/74/43/487757443.db2.gz HAOIEXNYWZHXOT-SNVBAGLBSA-N 0 3 219.303 3.155 20 0 BGADHN CC[C@H](Cc1cccs1)NCc1ccccn1 ZINC000675724476 487770911 /nfs/dbraw/zinc/77/09/11/487770911.db2.gz GBNHTFIVYDJIBY-GFCCVEGCSA-N 0 3 246.379 3.254 20 0 BGADHN CC[C@@H](Cc1cccs1)NCc1ccccn1 ZINC000675724479 488080498 /nfs/dbraw/zinc/08/04/98/488080498.db2.gz GBNHTFIVYDJIBY-LBPRGKRZSA-N 0 3 246.379 3.254 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H](C)C[C@@H]2CCOC2)o1 ZINC000675729573 487771620 /nfs/dbraw/zinc/77/16/20/487771620.db2.gz FREUPYQRCBADGK-DRZSPHRISA-N 0 3 237.343 3.054 20 0 BGADHN Cc1ccc([C@H](C)N[C@H](C)C[C@H]2CCOC2)o1 ZINC000675729574 487771379 /nfs/dbraw/zinc/77/13/79/487771379.db2.gz FREUPYQRCBADGK-KGYLQXTDSA-N 0 3 237.343 3.054 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H](C)C[C@H]2CCOC2)o1 ZINC000675729575 487771952 /nfs/dbraw/zinc/77/19/52/487771952.db2.gz FREUPYQRCBADGK-WCFLWFBJSA-N 0 3 237.343 3.054 20 0 BGADHN Cc1ccc([C@H](C)N[C@H](C)C[C@@H]2CCOC2)o1 ZINC000675729576 487771963 /nfs/dbraw/zinc/77/19/63/487771963.db2.gz FREUPYQRCBADGK-WXHSDQCUSA-N 0 3 237.343 3.054 20 0 BGADHN C[C@H](CC1CCC1)NCc1cn2ccccc2n1 ZINC000675730540 488091393 /nfs/dbraw/zinc/09/13/93/488091393.db2.gz ACWCVGWBACEPIE-GFCCVEGCSA-N 0 3 243.354 3.003 20 0 BGADHN C[C@@H](CC1CCC1)NCc1cn2ccccc2n1 ZINC000675730541 488091576 /nfs/dbraw/zinc/09/15/76/488091576.db2.gz ACWCVGWBACEPIE-LBPRGKRZSA-N 0 3 243.354 3.003 20 0 BGADHN CCc1ccc([C@@H](C)NCC[C@H]2CCCO2)o1 ZINC000675741632 487773739 /nfs/dbraw/zinc/77/37/39/487773739.db2.gz DGPXJXKNIWEMCD-DGCLKSJQSA-N 0 3 237.343 3.062 20 0 BGADHN CCc1ccc([C@H](C)NCC[C@H]2CCCO2)o1 ZINC000675741633 487773599 /nfs/dbraw/zinc/77/35/99/487773599.db2.gz DGPXJXKNIWEMCD-WCQYABFASA-N 0 3 237.343 3.062 20 0 BGADHN CC[C@H](NCc1cc(C)on1)C1CCCCC1 ZINC000675771687 487776903 /nfs/dbraw/zinc/77/69/03/487776903.db2.gz MAVNWMYRHCPFQJ-AWEZNQCLSA-N 0 3 236.359 3.432 20 0 BGADHN CC[C@@H](NCc1cc(C)on1)C1CCCCC1 ZINC000675771688 487776937 /nfs/dbraw/zinc/77/69/37/487776937.db2.gz MAVNWMYRHCPFQJ-CQSZACIVSA-N 0 3 236.359 3.432 20 0 BGADHN CCCC[C@H](C)[C@H](C)NCc1cc(C)ncn1 ZINC000675836106 487783861 /nfs/dbraw/zinc/78/38/61/487783861.db2.gz GIXPSBJRKHRKRW-AAEUAGOBSA-N 0 3 235.375 3.089 20 0 BGADHN CCCC[C@@H](C)[C@@H](C)NCc1cc(C)ncn1 ZINC000675836107 487784032 /nfs/dbraw/zinc/78/40/32/487784032.db2.gz GIXPSBJRKHRKRW-DGCLKSJQSA-N 0 3 235.375 3.089 20 0 BGADHN CCCC[C@H](C)[C@@H](C)NCc1cc(C)ncn1 ZINC000675836109 487784334 /nfs/dbraw/zinc/78/43/34/487784334.db2.gz GIXPSBJRKHRKRW-WCQYABFASA-N 0 3 235.375 3.089 20 0 BGADHN CCCC[C@@H](C)[C@H](C)NCc1cc(C)ncn1 ZINC000675836110 487784039 /nfs/dbraw/zinc/78/40/39/487784039.db2.gz GIXPSBJRKHRKRW-YPMHNXCESA-N 0 3 235.375 3.089 20 0 BGADHN CC[C@H]1CCC[C@@H]1NCc1cc(C(C)C)no1 ZINC000675882109 487786612 /nfs/dbraw/zinc/78/66/12/487786612.db2.gz BIGPKCHNUYTBND-AAEUAGOBSA-N 0 3 236.359 3.466 20 0 BGADHN CC[C@@H]1CCC[C@H]1NCc1cc(C(C)C)no1 ZINC000675882112 487786059 /nfs/dbraw/zinc/78/60/59/487786059.db2.gz BIGPKCHNUYTBND-DGCLKSJQSA-N 0 3 236.359 3.466 20 0 BGADHN CC[C@H]1CCC[C@H]1NCc1cc(C(C)C)no1 ZINC000675882113 487786302 /nfs/dbraw/zinc/78/63/02/487786302.db2.gz BIGPKCHNUYTBND-WCQYABFASA-N 0 3 236.359 3.466 20 0 BGADHN CC[C@@H]1CCC[C@@H]1NCc1cc(C(C)C)no1 ZINC000675882115 487786274 /nfs/dbraw/zinc/78/62/74/487786274.db2.gz BIGPKCHNUYTBND-YPMHNXCESA-N 0 3 236.359 3.466 20 0 BGADHN CCCN(CCCF)Cc1ccccc1F ZINC000675886966 487786503 /nfs/dbraw/zinc/78/65/03/487786503.db2.gz UKDIDCGYMNEUFQ-UHFFFAOYSA-N 0 3 227.298 3.397 20 0 BGADHN C[C@H]1c2ccc(F)cc2CCN1CCCF ZINC000675891901 487787685 /nfs/dbraw/zinc/78/76/85/487787685.db2.gz AXXKSWAHDRVEAU-JTQLQIEISA-N 0 3 225.282 3.104 20 0 BGADHN C[C@@H]1c2ccc(F)cc2CCN1CCCF ZINC000675891902 487787483 /nfs/dbraw/zinc/78/74/83/487787483.db2.gz AXXKSWAHDRVEAU-SNVBAGLBSA-N 0 3 225.282 3.104 20 0 BGADHN CCc1ccc([C@H](C)NCc2cc(C)[nH]n2)s1 ZINC000675893851 487788315 /nfs/dbraw/zinc/78/83/15/487788315.db2.gz VYXNGNOLXYCXCJ-JTQLQIEISA-N 0 3 249.383 3.193 20 0 BGADHN CCc1ccc([C@@H](C)NCc2cc(C)[nH]n2)s1 ZINC000675893852 487788534 /nfs/dbraw/zinc/78/85/34/487788534.db2.gz VYXNGNOLXYCXCJ-SNVBAGLBSA-N 0 3 249.383 3.193 20 0 BGADHN CC(C)(C)OCCCN1CCC(C(F)F)CC1 ZINC000675904450 487790028 /nfs/dbraw/zinc/79/00/28/487790028.db2.gz XJQBSWWORKBVBS-UHFFFAOYSA-N 0 3 249.345 3.169 20 0 BGADHN COC[C@H](N[C@@H](C)CC1CCC1)c1ccco1 ZINC000675925922 487792340 /nfs/dbraw/zinc/79/23/40/487792340.db2.gz FJLNMJPTWIBKBV-AAEUAGOBSA-N 0 3 237.343 3.135 20 0 BGADHN COC[C@@H](N[C@H](C)CC1CCC1)c1ccco1 ZINC000675925923 487791355 /nfs/dbraw/zinc/79/13/55/487791355.db2.gz FJLNMJPTWIBKBV-DGCLKSJQSA-N 0 3 237.343 3.135 20 0 BGADHN COC[C@@H](N[C@@H](C)CC1CCC1)c1ccco1 ZINC000675925924 487791526 /nfs/dbraw/zinc/79/15/26/487791526.db2.gz FJLNMJPTWIBKBV-WCQYABFASA-N 0 3 237.343 3.135 20 0 BGADHN COC[C@H](N[C@H](C)CC1CCC1)c1ccco1 ZINC000675925925 487790886 /nfs/dbraw/zinc/79/08/86/487790886.db2.gz FJLNMJPTWIBKBV-YPMHNXCESA-N 0 3 237.343 3.135 20 0 BGADHN C[C@H](CN[C@@H](C)c1ccco1)c1ccncc1 ZINC000675926841 487792310 /nfs/dbraw/zinc/79/23/10/487792310.db2.gz HLKOMHGFUZIOKP-NEPJUHHUSA-N 0 3 230.311 3.129 20 0 BGADHN C[C@@H](CN[C@H](C)c1ccco1)c1ccncc1 ZINC000675926842 487792049 /nfs/dbraw/zinc/79/20/49/487792049.db2.gz HLKOMHGFUZIOKP-NWDGAFQWSA-N 0 3 230.311 3.129 20 0 BGADHN C[C@@H](CN[C@@H](C)c1ccco1)c1ccncc1 ZINC000675926843 487792000 /nfs/dbraw/zinc/79/20/00/487792000.db2.gz HLKOMHGFUZIOKP-RYUDHWBXSA-N 0 3 230.311 3.129 20 0 BGADHN C[C@@H](NC[C@@H](C)c1ccncc1)c1ccco1 ZINC000675926844 487792443 /nfs/dbraw/zinc/79/24/43/487792443.db2.gz HLKOMHGFUZIOKP-VXGBXAGGSA-N 0 3 230.311 3.129 20 0 BGADHN Cc1ccc([C@H](C)NC[C@H](C)c2ccncc2)o1 ZINC000675927814 487793452 /nfs/dbraw/zinc/79/34/52/487793452.db2.gz IJKVNBMFRZJWOS-AAEUAGOBSA-N 0 3 244.338 3.437 20 0 BGADHN Cc1ccc([C@@H](C)NC[C@@H](C)c2ccncc2)o1 ZINC000675927815 487793177 /nfs/dbraw/zinc/79/31/77/487793177.db2.gz IJKVNBMFRZJWOS-DGCLKSJQSA-N 0 3 244.338 3.437 20 0 BGADHN Cc1ccc([C@@H](C)NC[C@H](C)c2ccncc2)o1 ZINC000675927816 487793323 /nfs/dbraw/zinc/79/33/23/487793323.db2.gz IJKVNBMFRZJWOS-WCQYABFASA-N 0 3 244.338 3.437 20 0 BGADHN Cc1ccc([C@H](C)NC[C@@H](C)c2ccncc2)o1 ZINC000675927817 487792974 /nfs/dbraw/zinc/79/29/74/487792974.db2.gz IJKVNBMFRZJWOS-YPMHNXCESA-N 0 3 244.338 3.437 20 0 BGADHN C[C@H](CN[C@@H](C)c1ccoc1)c1ccncc1 ZINC000675928800 487794019 /nfs/dbraw/zinc/79/40/19/487794019.db2.gz SWZCYEWYWUEBKU-NEPJUHHUSA-N 0 3 230.311 3.129 20 0 BGADHN C[C@@H](CN[C@H](C)c1ccoc1)c1ccncc1 ZINC000675928801 487794474 /nfs/dbraw/zinc/79/44/74/487794474.db2.gz SWZCYEWYWUEBKU-NWDGAFQWSA-N 0 3 230.311 3.129 20 0 BGADHN C[C@@H](CN[C@@H](C)c1ccoc1)c1ccncc1 ZINC000675928802 487794105 /nfs/dbraw/zinc/79/41/05/487794105.db2.gz SWZCYEWYWUEBKU-RYUDHWBXSA-N 0 3 230.311 3.129 20 0 BGADHN C[C@@H](NC[C@@H](C)c1ccncc1)c1ccoc1 ZINC000675928803 487793999 /nfs/dbraw/zinc/79/39/99/487793999.db2.gz SWZCYEWYWUEBKU-VXGBXAGGSA-N 0 3 230.311 3.129 20 0 BGADHN CCCCCNC(C)(C)C(=O)Nc1ccccc1 ZINC000675971178 487797157 /nfs/dbraw/zinc/79/71/57/487797157.db2.gz OUWUJSHLTBRFIH-UHFFFAOYSA-N 0 3 248.370 3.184 20 0 BGADHN CCCCCN1CC(c2nc3ccccc3[nH]2)C1 ZINC000675975006 487798207 /nfs/dbraw/zinc/79/82/07/487798207.db2.gz QKZVKGVSHATHNA-UHFFFAOYSA-N 0 3 243.354 3.152 20 0 BGADHN CC[C@@H](C)CN1CC(c2nc3ccccc3[nH]2)C1 ZINC000675976688 487798287 /nfs/dbraw/zinc/79/82/87/487798287.db2.gz QNHNMPJKVOEVDU-LLVKDONJSA-N 0 3 243.354 3.008 20 0 BGADHN CC[C@H](C)CN1CC(c2nc3ccccc3[nH]2)C1 ZINC000675976699 487798121 /nfs/dbraw/zinc/79/81/21/487798121.db2.gz QNHNMPJKVOEVDU-NSHDSACASA-N 0 3 243.354 3.008 20 0 BGADHN C[C@@H](c1ccncc1)N1CCC(C(F)F)CC1 ZINC000676002125 487799109 /nfs/dbraw/zinc/79/91/09/487799109.db2.gz RXQRDOUEOXOCCM-JTQLQIEISA-N 0 3 240.297 3.120 20 0 BGADHN C[C@H](c1ccncc1)N1CCC(C(F)F)CC1 ZINC000676002126 487799284 /nfs/dbraw/zinc/79/92/84/487799284.db2.gz RXQRDOUEOXOCCM-SNVBAGLBSA-N 0 3 240.297 3.120 20 0 BGADHN Cc1cc(CN(C2CC2)C2CCCCC2)nn1C ZINC000676037954 487801629 /nfs/dbraw/zinc/80/16/29/487801629.db2.gz LLXQODJISBMXHQ-UHFFFAOYSA-N 0 3 247.386 3.026 20 0 BGADHN COC[C@H]1CCCN1Cc1cc2ccccc2o1 ZINC000676040519 487802772 /nfs/dbraw/zinc/80/27/72/487802772.db2.gz KVBUKQGITVPPGH-CYBMUJFWSA-N 0 3 245.322 3.044 20 0 BGADHN COC[C@@H]1CCCN1Cc1cc2ccccc2o1 ZINC000676040520 487803294 /nfs/dbraw/zinc/80/32/94/487803294.db2.gz KVBUKQGITVPPGH-ZDUSSCGKSA-N 0 3 245.322 3.044 20 0 BGADHN Cc1ccc(CCN(C)CCOC(C)(C)C)cc1 ZINC000676041169 487803473 /nfs/dbraw/zinc/80/34/73/487803473.db2.gz COWIASHCTQOLGD-UHFFFAOYSA-N 0 3 249.398 3.284 20 0 BGADHN CN(C/C=C/c1ccccc1)CCOC(C)(C)C ZINC000676042679 487804372 /nfs/dbraw/zinc/80/43/72/487804372.db2.gz BSTXZWROWXQCHY-DHZHZOJOSA-N 0 3 247.382 3.447 20 0 BGADHN CN(C/C=C\c1ccccc1)CCOC(C)(C)C ZINC000676042680 487804599 /nfs/dbraw/zinc/80/45/99/487804599.db2.gz BSTXZWROWXQCHY-FLIBITNWSA-N 0 3 247.382 3.447 20 0 BGADHN CN(CCOC(C)(C)C)[C@H]1C[C@@H]1c1ccccc1 ZINC000676043724 487803888 /nfs/dbraw/zinc/80/38/88/487803888.db2.gz LWWSVSCLXQPXIG-CABCVRRESA-N 0 3 247.382 3.289 20 0 BGADHN CN(CCOC(C)(C)C)[C@H]1C[C@H]1c1ccccc1 ZINC000676043726 487804225 /nfs/dbraw/zinc/80/42/25/487804225.db2.gz LWWSVSCLXQPXIG-GJZGRUSLSA-N 0 3 247.382 3.289 20 0 BGADHN CN(CCOC(C)(C)C)[C@@H]1C[C@H]1c1ccccc1 ZINC000676043729 487802131 /nfs/dbraw/zinc/80/21/31/487802131.db2.gz LWWSVSCLXQPXIG-LSDHHAIUSA-N 0 3 247.382 3.289 20 0 BGADHN CCO[C@H]1CCCN(Cc2ccc(C)c(C)c2)C1 ZINC000676267985 487831779 /nfs/dbraw/zinc/83/17/79/487831779.db2.gz BJSLVLROKPUJGX-INIZCTEOSA-N 0 3 247.382 3.304 20 0 BGADHN CCO[C@@H]1CCCN(Cc2ccc(C)c(C)c2)C1 ZINC000676267986 487831471 /nfs/dbraw/zinc/83/14/71/487831471.db2.gz BJSLVLROKPUJGX-MRXNPFEDSA-N 0 3 247.382 3.304 20 0 BGADHN c1cc(CN2CCC(C3CCCC3)CC2)ccn1 ZINC000676487167 487856030 /nfs/dbraw/zinc/85/60/30/487856030.db2.gz KCLBSWNTZPFAJB-UHFFFAOYSA-N 0 3 244.382 3.484 20 0 BGADHN Cc1noc(C)c1[C@@H](C)NC1CC2(CCC2)C1 ZINC000676488578 487855981 /nfs/dbraw/zinc/85/59/81/487855981.db2.gz CRUPDWIMIBOHNB-SECBINFHSA-N 0 3 234.343 3.275 20 0 BGADHN Cc1noc(C)c1[C@H](C)NC1CC2(CCC2)C1 ZINC000676488583 487855743 /nfs/dbraw/zinc/85/57/43/487855743.db2.gz CRUPDWIMIBOHNB-VIFPVBQESA-N 0 3 234.343 3.275 20 0 BGADHN CC(C)c1cc(CNC2CC3(CCC3)C2)on1 ZINC000676490916 487855687 /nfs/dbraw/zinc/85/56/87/487855687.db2.gz UVJVVMDHTINWQC-UHFFFAOYSA-N 0 3 234.343 3.220 20 0 BGADHN Fc1cccc(F)c1CNC1CC2(CCC2)C1 ZINC000676493317 487857291 /nfs/dbraw/zinc/85/72/91/487857291.db2.gz VRRMNWDMTITILF-UHFFFAOYSA-N 0 3 237.293 3.387 20 0 BGADHN Cc1ccc(CN(C)[C@H](C)CC(C)C)nc1 ZINC000676555947 487871296 /nfs/dbraw/zinc/87/12/96/487871296.db2.gz LQHHZJMJHOAQTQ-CYBMUJFWSA-N 0 3 220.360 3.256 20 0 BGADHN Cc1ccc(CN(C)[C@@H](C)CC(C)C)nc1 ZINC000676555948 487871318 /nfs/dbraw/zinc/87/13/18/487871318.db2.gz LQHHZJMJHOAQTQ-ZDUSSCGKSA-N 0 3 220.360 3.256 20 0 BGADHN Cc1ccc(CN2[C@H](C)CCC[C@H]2C)nc1 ZINC000676558096 487872797 /nfs/dbraw/zinc/87/27/97/487872797.db2.gz GCVXFSCTHXEVAM-CHWSQXEVSA-N 0 3 218.344 3.153 20 0 BGADHN Cc1ccc(CN2[C@@H](C)CCC[C@@H]2C)nc1 ZINC000676558097 487873349 /nfs/dbraw/zinc/87/33/49/487873349.db2.gz GCVXFSCTHXEVAM-STQMWFEESA-N 0 3 218.344 3.153 20 0 BGADHN Cc1ccncc1CN1C2CCCC1CCC2 ZINC000676624510 487880612 /nfs/dbraw/zinc/88/06/12/487880612.db2.gz DXLPDQDRVKKFNL-UHFFFAOYSA-N 0 3 230.355 3.297 20 0 BGADHN Cc1ccc(CN2C3CCCC2CCC3)nc1 ZINC000676624921 487880949 /nfs/dbraw/zinc/88/09/49/487880949.db2.gz OVTIGBMYINBGPI-UHFFFAOYSA-N 0 3 230.355 3.297 20 0 BGADHN CC(C)N(Cc1ccco1)Cc1ccc(O)cc1 ZINC000676693047 487892248 /nfs/dbraw/zinc/89/22/48/487892248.db2.gz LGPDNXIJAYGLQB-UHFFFAOYSA-N 0 3 245.322 3.396 20 0 BGADHN CCOc1ccc2c(c1)CCN(CC=C(C)C)C2 ZINC000676709679 487897182 /nfs/dbraw/zinc/89/71/82/487897182.db2.gz RWNOSSBJLJUAEM-UHFFFAOYSA-N 0 3 245.366 3.410 20 0 BGADHN CCCc1ccc(CN2CCCOC[C@@H]2C)cc1 ZINC000676710473 487897391 /nfs/dbraw/zinc/89/73/91/487897391.db2.gz FZERRNCRBKBTCF-AWEZNQCLSA-N 0 3 247.382 3.250 20 0 BGADHN CCCc1ccc(CN2CCCOC[C@H]2C)cc1 ZINC000676710474 487897573 /nfs/dbraw/zinc/89/75/73/487897573.db2.gz FZERRNCRBKBTCF-CQSZACIVSA-N 0 3 247.382 3.250 20 0 BGADHN CCCOc1ccc2c(c1)CCN(CC1CC1)C2 ZINC000676711608 487898508 /nfs/dbraw/zinc/89/85/08/487898508.db2.gz SUVOHXWOGWGERV-UHFFFAOYSA-N 0 3 245.366 3.244 20 0 BGADHN C[C@@H]1COCCCN1Cc1cc2ccccc2o1 ZINC000676713908 487902615 /nfs/dbraw/zinc/90/26/15/487902615.db2.gz SFCDXTFUDSCHKV-GFCCVEGCSA-N 0 3 245.322 3.044 20 0 BGADHN C[C@H]1COCCCN1Cc1cc2ccccc2o1 ZINC000676713909 487902887 /nfs/dbraw/zinc/90/28/87/487902887.db2.gz SFCDXTFUDSCHKV-LBPRGKRZSA-N 0 3 245.322 3.044 20 0 BGADHN CC(C)c1ccc(CN2CCCOC[C@@H]2C)cc1 ZINC000676714416 487902306 /nfs/dbraw/zinc/90/23/06/487902306.db2.gz PXHHYSVVVJQNTP-AWEZNQCLSA-N 0 3 247.382 3.421 20 0 BGADHN CC(C)c1ccc(CN2CCCOC[C@H]2C)cc1 ZINC000676714418 487902727 /nfs/dbraw/zinc/90/27/27/487902727.db2.gz PXHHYSVVVJQNTP-CQSZACIVSA-N 0 3 247.382 3.421 20 0 BGADHN c1csc(CN2CC3C[C@@H]4CC2C[C@H](C3)C4)n1 ZINC000676714570 487901800 /nfs/dbraw/zinc/90/18/00/487901800.db2.gz MTOUDJYSKYBEDR-MPEURRAXSA-N 0 3 248.395 3.154 20 0 BGADHN COc1ccc(CN(C)CCC2CCCC2)cn1 ZINC000676721166 487904845 /nfs/dbraw/zinc/90/48/45/487904845.db2.gz JCLFYYWZPBGUHS-UHFFFAOYSA-N 0 3 248.370 3.102 20 0 BGADHN c1ccc2oc(CNCC3CCCC3)nc2c1 ZINC000676763075 487757666 /nfs/dbraw/zinc/75/76/66/487757666.db2.gz JDSBWUGKNCQPDF-UHFFFAOYSA-N 0 3 230.311 3.108 20 0 BGADHN CC(C)C[C@@H](C)NCc1nc2ccccc2o1 ZINC000676763711 487923835 /nfs/dbraw/zinc/92/38/35/487923835.db2.gz SRZIMCDCQYGZDP-LLVKDONJSA-N 0 3 232.327 3.352 20 0 BGADHN CC(C)C[C@H](C)NCc1nc2ccccc2o1 ZINC000676763713 487923972 /nfs/dbraw/zinc/92/39/72/487923972.db2.gz SRZIMCDCQYGZDP-NSHDSACASA-N 0 3 232.327 3.352 20 0 BGADHN C[C@@H]1CCC[C@H](NCc2nc3ccccc3o2)C1 ZINC000676839421 487935244 /nfs/dbraw/zinc/93/52/44/487935244.db2.gz LAOBNLLINHHDJM-NEPJUHHUSA-N 0 3 244.338 3.496 20 0 BGADHN C[C@H]1CCC[C@@H](NCc2nc3ccccc3o2)C1 ZINC000676839424 487935214 /nfs/dbraw/zinc/93/52/14/487935214.db2.gz LAOBNLLINHHDJM-NWDGAFQWSA-N 0 3 244.338 3.496 20 0 BGADHN C[C@H]1CCC[C@H](NCc2nc3ccccc3o2)C1 ZINC000676839426 487935661 /nfs/dbraw/zinc/93/56/61/487935661.db2.gz LAOBNLLINHHDJM-RYUDHWBXSA-N 0 3 244.338 3.496 20 0 BGADHN C[C@@H]1CCC[C@@H](NCc2nc3ccccc3o2)C1 ZINC000676839427 487769539 /nfs/dbraw/zinc/76/95/39/487769539.db2.gz LAOBNLLINHHDJM-VXGBXAGGSA-N 0 3 244.338 3.496 20 0 BGADHN CC(C)n1ccnc1CNC1CCCCCC1 ZINC000676839488 487935199 /nfs/dbraw/zinc/93/51/99/487935199.db2.gz LUZNEKNXEVUXGT-UHFFFAOYSA-N 0 3 235.375 3.276 20 0 BGADHN C(NC1CCCCCC1)c1noc2c1CCCC2 ZINC000676839691 487935075 /nfs/dbraw/zinc/93/50/75/487935075.db2.gz PIKPTKGMLGGSGB-UHFFFAOYSA-N 0 3 248.370 3.366 20 0 BGADHN CC(C)n1ccnc1CN[C@@H]1CCC[C@@H](C)C1 ZINC000676840323 487935515 /nfs/dbraw/zinc/93/55/15/487935515.db2.gz YYKKAVVHJKMXMU-CHWSQXEVSA-N 0 3 235.375 3.132 20 0 BGADHN CC(C)n1ccnc1CN[C@H]1CCC[C@@H](C)C1 ZINC000676840324 487935557 /nfs/dbraw/zinc/93/55/57/487935557.db2.gz YYKKAVVHJKMXMU-OLZOCXBDSA-N 0 3 235.375 3.132 20 0 BGADHN CC(C)n1ccnc1CN[C@@H]1CCC[C@H](C)C1 ZINC000676840325 487935457 /nfs/dbraw/zinc/93/54/57/487935457.db2.gz YYKKAVVHJKMXMU-QWHCGFSZSA-N 0 3 235.375 3.132 20 0 BGADHN CC(C)n1ccnc1CN[C@H]1CCC[C@H](C)C1 ZINC000676840326 487935088 /nfs/dbraw/zinc/93/50/88/487935088.db2.gz YYKKAVVHJKMXMU-STQMWFEESA-N 0 3 235.375 3.132 20 0 BGADHN Cc1nc(CN(CC2CC2)C(C)C)c(C)s1 ZINC000676892714 487941980 /nfs/dbraw/zinc/94/19/80/487941980.db2.gz TWYFVNNTDLSHEY-UHFFFAOYSA-N 0 3 238.400 3.380 20 0 BGADHN c1ccc(OCCCN2[C@H]3C=CC[C@@H]2CC3)cc1 ZINC000676906252 487945070 /nfs/dbraw/zinc/94/50/70/487945070.db2.gz LRPORCPJVQWEOP-LSDHHAIUSA-N 0 3 243.350 3.248 20 0 BGADHN C(=C/c1ccccc1)\CN1[C@H]2C=CC[C@@H]1CC2 ZINC000676906685 487945866 /nfs/dbraw/zinc/94/58/66/487945866.db2.gz HTPUITCNEKCSGM-AUPUMLSVSA-N 0 3 225.335 3.493 20 0 BGADHN C(=C\c1ccccc1)\CN1[C@H]2C=CC[C@@H]1CC2 ZINC000676906686 487945916 /nfs/dbraw/zinc/94/59/16/487945916.db2.gz HTPUITCNEKCSGM-OXUBUWLOSA-N 0 3 225.335 3.493 20 0 BGADHN c1cc(CN2[C@H]3C=CC[C@@H]2CC3)cc2c1CCC2 ZINC000676906795 487945840 /nfs/dbraw/zinc/94/58/40/487945840.db2.gz MQMISGVECBUSCH-DLBZAZTESA-N 0 3 239.362 3.468 20 0 BGADHN Cc1ccnc(CN2CCC[C@H](C3CC3)C2)c1 ZINC000677019040 487956841 /nfs/dbraw/zinc/95/68/41/487956841.db2.gz WNTZGNUEURFQBL-AWEZNQCLSA-N 0 3 230.355 3.012 20 0 BGADHN Cc1ccnc(CN2CCC[C@@H](C3CC3)C2)c1 ZINC000677019043 487956303 /nfs/dbraw/zinc/95/63/03/487956303.db2.gz WNTZGNUEURFQBL-CQSZACIVSA-N 0 3 230.355 3.012 20 0 BGADHN Fc1ccc(F)c2c1CC[C@H]2NC1CC=CC1 ZINC000677041885 487956554 /nfs/dbraw/zinc/95/65/54/487956554.db2.gz BWCCHNUOMVXFOF-CYBMUJFWSA-N 0 3 235.277 3.260 20 0 BGADHN Fc1ccc(F)c2c1CC[C@@H]2NC1CC=CC1 ZINC000677041899 487956357 /nfs/dbraw/zinc/95/63/57/487956357.db2.gz BWCCHNUOMVXFOF-ZDUSSCGKSA-N 0 3 235.277 3.260 20 0 BGADHN Fc1ccccc1CN1CCC[C@@H](C2CC2)C1 ZINC000677051432 487960667 /nfs/dbraw/zinc/96/06/67/487960667.db2.gz JZDJMBOKQCFOLO-CYBMUJFWSA-N 0 3 233.330 3.448 20 0 BGADHN Fc1ccccc1CN1CCC[C@H](C2CC2)C1 ZINC000677051433 487961232 /nfs/dbraw/zinc/96/12/32/487961232.db2.gz JZDJMBOKQCFOLO-ZDUSSCGKSA-N 0 3 233.330 3.448 20 0 BGADHN Fc1cccc(CN2CCC[C@H](C3CC3)C2)c1 ZINC000677056794 487962234 /nfs/dbraw/zinc/96/22/34/487962234.db2.gz ADPXZKJFDPFPNG-AWEZNQCLSA-N 0 3 233.330 3.448 20 0 BGADHN Fc1cccc(CN2CCC[C@@H](C3CC3)C2)c1 ZINC000677056795 487961795 /nfs/dbraw/zinc/96/17/95/487961795.db2.gz ADPXZKJFDPFPNG-CQSZACIVSA-N 0 3 233.330 3.448 20 0 BGADHN Cc1ccc(C)c(CN2CC3(CC(F)C3)C2)c1 ZINC000677132498 487886696 /nfs/dbraw/zinc/88/66/96/487886696.db2.gz AKSRORKQFITVQE-UHFFFAOYSA-N 0 3 233.330 3.237 20 0 BGADHN CC[C@H](c1ccccc1)N1CCN(CC)[C@H](C)C1 ZINC000677192506 487996301 /nfs/dbraw/zinc/99/63/01/487996301.db2.gz UOBXKAKQDQAWEN-GDBMZVCRSA-N 0 3 246.398 3.164 20 0 BGADHN CC[C@H](c1ccccc1)N1CCN(CC)[C@@H](C)C1 ZINC000677192508 487995883 /nfs/dbraw/zinc/99/58/83/487995883.db2.gz UOBXKAKQDQAWEN-GOEBONIOSA-N 0 3 246.398 3.164 20 0 BGADHN CC[C@@H](c1ccccc1)N1CCN(CC)[C@@H](C)C1 ZINC000677192509 487997244 /nfs/dbraw/zinc/99/72/44/487997244.db2.gz UOBXKAKQDQAWEN-HOCLYGCPSA-N 0 3 246.398 3.164 20 0 BGADHN CC[C@@H](c1ccccc1)N1CCN(CC)[C@H](C)C1 ZINC000677192511 487996658 /nfs/dbraw/zinc/99/66/58/487996658.db2.gz UOBXKAKQDQAWEN-ZBFHGGJFSA-N 0 3 246.398 3.164 20 0 BGADHN CCN1CCN([C@@H](C)c2cccc(C)c2)C[C@H]1C ZINC000677192969 487995856 /nfs/dbraw/zinc/99/58/56/487995856.db2.gz SIRVONIDHXSOJU-CABCVRRESA-N 0 3 246.398 3.082 20 0 BGADHN CCN1CCN([C@@H](C)c2cccc(C)c2)C[C@@H]1C ZINC000677192970 487995947 /nfs/dbraw/zinc/99/59/47/487995947.db2.gz SIRVONIDHXSOJU-GJZGRUSLSA-N 0 3 246.398 3.082 20 0 BGADHN CCN1CCN([C@H](C)c2cccc(C)c2)C[C@H]1C ZINC000677192971 487996093 /nfs/dbraw/zinc/99/60/93/487996093.db2.gz SIRVONIDHXSOJU-HUUCEWRRSA-N 0 3 246.398 3.082 20 0 BGADHN CCN1CCN([C@H](C)c2cccc(C)c2)C[C@@H]1C ZINC000677192972 487995969 /nfs/dbraw/zinc/99/59/69/487995969.db2.gz SIRVONIDHXSOJU-LSDHHAIUSA-N 0 3 246.398 3.082 20 0 BGADHN CCN1CCN([C@@H](C)c2ccccc2C)C[C@H]1C ZINC000677193918 487999454 /nfs/dbraw/zinc/99/94/54/487999454.db2.gz FDYUCFOVGNVYMA-CABCVRRESA-N 0 3 246.398 3.082 20 0 BGADHN CCN1CCN([C@@H](C)c2ccccc2C)C[C@@H]1C ZINC000677193919 487997974 /nfs/dbraw/zinc/99/79/74/487997974.db2.gz FDYUCFOVGNVYMA-GJZGRUSLSA-N 0 3 246.398 3.082 20 0 BGADHN CCN1CCN([C@H](C)c2ccccc2C)C[C@H]1C ZINC000677193920 487998073 /nfs/dbraw/zinc/99/80/73/487998073.db2.gz FDYUCFOVGNVYMA-HUUCEWRRSA-N 0 3 246.398 3.082 20 0 BGADHN CCN1CCN([C@H](C)c2ccccc2C)C[C@@H]1C ZINC000677193921 487999650 /nfs/dbraw/zinc/99/96/50/487999650.db2.gz FDYUCFOVGNVYMA-LSDHHAIUSA-N 0 3 246.398 3.082 20 0 BGADHN CCCC(C)(C)NCc1cn2cccc(F)c2n1 ZINC000677320779 488016330 /nfs/dbraw/zinc/01/63/30/488016330.db2.gz MUSMXRWQEOFOLX-UHFFFAOYSA-N 0 3 249.333 3.142 20 0 BGADHN CCC(C)(CC)NCc1cn2cccc(F)c2n1 ZINC000677323042 488016372 /nfs/dbraw/zinc/01/63/72/488016372.db2.gz WXORXCYLEQLIMM-UHFFFAOYSA-N 0 3 249.333 3.142 20 0 BGADHN Cc1cc(C)cc(OCCN2CC=C(C)CC2)c1 ZINC000677380376 488026795 /nfs/dbraw/zinc/02/67/95/488026795.db2.gz ZFWRMMIZXJWSDJ-UHFFFAOYSA-N 0 3 245.366 3.334 20 0 BGADHN Cc1cc(CN[C@H]2C[C@H](C)CC(C)(C)C2)ncn1 ZINC000677424481 488034150 /nfs/dbraw/zinc/03/41/50/488034150.db2.gz BGIIZTDEADNSJS-AAEUAGOBSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1cc(CN[C@@H]2C[C@H](C)CC(C)(C)C2)ncn1 ZINC000677424485 488034305 /nfs/dbraw/zinc/03/43/05/488034305.db2.gz BGIIZTDEADNSJS-WCQYABFASA-N 0 3 247.386 3.089 20 0 BGADHN Cc1cc(CNC2CCC(C(C)C)CC2)ncn1 ZINC000677425100 488033702 /nfs/dbraw/zinc/03/37/02/488033702.db2.gz GPLLWLLWJFLTTQ-UHFFFAOYSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1cc(CNC[C@@H]2CCCC(C)(C)C2)ncn1 ZINC000677425265 488034097 /nfs/dbraw/zinc/03/40/97/488034097.db2.gz NCKPYNWSTKEPTK-CYBMUJFWSA-N 0 3 247.386 3.091 20 0 BGADHN Cc1cc(CNC[C@H]2CCCC(C)(C)C2)ncn1 ZINC000677425266 488034505 /nfs/dbraw/zinc/03/45/05/488034505.db2.gz NCKPYNWSTKEPTK-ZDUSSCGKSA-N 0 3 247.386 3.091 20 0 BGADHN CCCC1CCC(NCc2cc(C)ncn2)CC1 ZINC000677425847 488033535 /nfs/dbraw/zinc/03/35/35/488033535.db2.gz NAEDHMMIGYGCJW-UHFFFAOYSA-N 0 3 247.386 3.234 20 0 BGADHN CC(C)[C@@H]1CC[C@@H](NCc2cocn2)C[C@H]1C ZINC000677519579 488120869 /nfs/dbraw/zinc/12/08/69/488120869.db2.gz HWVSGSAGGXFOTK-BZPMIXESSA-N 0 3 236.359 3.225 20 0 BGADHN CC(C)[C@@H]1CC[C@H](NCc2cocn2)C[C@H]1C ZINC000677519583 488120774 /nfs/dbraw/zinc/12/07/74/488120774.db2.gz HWVSGSAGGXFOTK-DYEKYZERSA-N 0 3 236.359 3.225 20 0 BGADHN CC(C)[C@@H]1CC[C@H](NCc2cocn2)C[C@@H]1C ZINC000677519585 488120616 /nfs/dbraw/zinc/12/06/16/488120616.db2.gz HWVSGSAGGXFOTK-OBJOEFQTSA-N 0 3 236.359 3.225 20 0 BGADHN CC(C)[C@@H]1CC[C@@H](NCc2cocn2)C[C@@H]1C ZINC000677519595 488120895 /nfs/dbraw/zinc/12/08/95/488120895.db2.gz HWVSGSAGGXFOTK-SCRDCRAPSA-N 0 3 236.359 3.225 20 0 BGADHN FC(F)(F)[C@@H]1CCN(CCc2ccccc2)C1 ZINC000677713428 488096607 /nfs/dbraw/zinc/09/66/07/488096607.db2.gz HKHNATCKHXDPJL-GFCCVEGCSA-N 0 3 243.272 3.113 20 0 BGADHN FC(F)(F)[C@H]1CCN(CCc2ccccc2)C1 ZINC000677713429 488096152 /nfs/dbraw/zinc/09/61/52/488096152.db2.gz HKHNATCKHXDPJL-LBPRGKRZSA-N 0 3 243.272 3.113 20 0 BGADHN Fc1ccccc1OCCN1CCC2(CC2)CC1 ZINC000677716708 488099225 /nfs/dbraw/zinc/09/92/25/488099225.db2.gz HOXITAGGCIJDKZ-UHFFFAOYSA-N 0 3 249.329 3.081 20 0 BGADHN Fc1ccc(OCCN2CCC3(CC3)CC2)cc1 ZINC000677716727 488098870 /nfs/dbraw/zinc/09/88/70/488098870.db2.gz MBIBTWDSMZPDLF-UHFFFAOYSA-N 0 3 249.329 3.081 20 0 BGADHN C[C@H](c1ccccn1)N1CCC2(CC2)CC1 ZINC000677716751 488099266 /nfs/dbraw/zinc/09/92/66/488099266.db2.gz NWCNKWXVUDDHJU-GFCCVEGCSA-N 0 3 216.328 3.019 20 0 BGADHN C[C@@H](c1ccccn1)N1CCC2(CC2)CC1 ZINC000677716764 488098554 /nfs/dbraw/zinc/09/85/54/488098554.db2.gz NWCNKWXVUDDHJU-LBPRGKRZSA-N 0 3 216.328 3.019 20 0 BGADHN C[C@H](c1ccncc1)N1CCC2(CC2)CC1 ZINC000677717242 488098826 /nfs/dbraw/zinc/09/88/26/488098826.db2.gz DCJWJIZDCVSEOU-GFCCVEGCSA-N 0 3 216.328 3.019 20 0 BGADHN C[C@@H](c1ccncc1)N1CCC2(CC2)CC1 ZINC000677717243 488099239 /nfs/dbraw/zinc/09/92/39/488099239.db2.gz DCJWJIZDCVSEOU-LBPRGKRZSA-N 0 3 216.328 3.019 20 0 BGADHN Cc1nc(C)c(CN2CCC3(CC3)CC2)s1 ZINC000677717548 488098578 /nfs/dbraw/zinc/09/85/78/488098578.db2.gz JBJGSNUGXUROMQ-UHFFFAOYSA-N 0 3 236.384 3.136 20 0 BGADHN Fc1ccccc1CN1CCC2(CC2)CC1 ZINC000677717743 488099752 /nfs/dbraw/zinc/09/97/52/488099752.db2.gz PGYAZGCOCUPMCV-UHFFFAOYSA-N 0 3 219.303 3.202 20 0 BGADHN Clc1cnccc1CN1CCC2(CC2)CC1 ZINC000677717978 488099722 /nfs/dbraw/zinc/09/97/22/488099722.db2.gz RBDFZJHGMZADRK-UHFFFAOYSA-N 0 3 236.746 3.111 20 0 BGADHN Fc1ccc(CN2CCC3(CC3)CC2)cc1 ZINC000677717998 488099739 /nfs/dbraw/zinc/09/97/39/488099739.db2.gz RMMCTZCGOGPXKQ-UHFFFAOYSA-N 0 3 219.303 3.202 20 0 BGADHN COc1ccc(C)cc1CN1CCC2(CC2)CC1 ZINC000677718068 488190526 /nfs/dbraw/zinc/19/05/26/488190526.db2.gz WRSTVBKRKSCDSY-UHFFFAOYSA-N 0 3 245.366 3.380 20 0 BGADHN c1ccc(CC2CN(Cc3ccccc3)C2)cc1 ZINC000677718086 488099939 /nfs/dbraw/zinc/09/99/39/488099939.db2.gz WCNWOHISDQXYNA-UHFFFAOYSA-N 0 3 237.346 3.361 20 0 BGADHN Fc1cccc(CN2CCC3(CC3)CC2)c1 ZINC000677718090 488100166 /nfs/dbraw/zinc/10/01/66/488100166.db2.gz XDDGVLARKIEOTC-UHFFFAOYSA-N 0 3 219.303 3.202 20 0 BGADHN COCC1(N(C)Cc2c(C)cc(C)cc2C)CC1 ZINC000677727152 488103623 /nfs/dbraw/zinc/10/36/23/488103623.db2.gz WBDRRIQDNZHFEV-UHFFFAOYSA-N 0 3 247.382 3.223 20 0 BGADHN COCC1(N(C)Cc2cc3ccccc3o2)CC1 ZINC000677729104 488107092 /nfs/dbraw/zinc/10/70/92/488107092.db2.gz WNPHDULBHSZMMY-UHFFFAOYSA-N 0 3 245.322 3.044 20 0 BGADHN C[C@@H](c1ccc(F)cc1)N1CC[C@@H](C(F)F)C1 ZINC000677729275 488106190 /nfs/dbraw/zinc/10/61/90/488106190.db2.gz BNMMNAXVZBHAHZ-GXSJLCMTSA-N 0 3 243.272 3.474 20 0 BGADHN C[C@H](c1ccc(F)cc1)N1CC[C@H](C(F)F)C1 ZINC000677729276 488107044 /nfs/dbraw/zinc/10/70/44/488107044.db2.gz BNMMNAXVZBHAHZ-KOLCDFICSA-N 0 3 243.272 3.474 20 0 BGADHN C[C@H](c1ccc(F)cc1)N1CC[C@@H](C(F)F)C1 ZINC000677729277 488106818 /nfs/dbraw/zinc/10/68/18/488106818.db2.gz BNMMNAXVZBHAHZ-MWLCHTKSSA-N 0 3 243.272 3.474 20 0 BGADHN C[C@@H](c1ccc(F)cc1)N1CC[C@H](C(F)F)C1 ZINC000677729278 488204323 /nfs/dbraw/zinc/20/43/23/488204323.db2.gz BNMMNAXVZBHAHZ-ONGXEEELSA-N 0 3 243.272 3.474 20 0 BGADHN C[C@@H](c1cccc(F)c1)N1CC[C@@H](C(F)F)C1 ZINC000677729720 488106871 /nfs/dbraw/zinc/10/68/71/488106871.db2.gz HSGBPNSLEWLUEM-GXSJLCMTSA-N 0 3 243.272 3.474 20 0 BGADHN C[C@H](c1cccc(F)c1)N1CC[C@H](C(F)F)C1 ZINC000677729721 488106898 /nfs/dbraw/zinc/10/68/98/488106898.db2.gz HSGBPNSLEWLUEM-KOLCDFICSA-N 0 3 243.272 3.474 20 0 BGADHN C[C@H](c1cccc(F)c1)N1CC[C@@H](C(F)F)C1 ZINC000677729722 488106486 /nfs/dbraw/zinc/10/64/86/488106486.db2.gz HSGBPNSLEWLUEM-MWLCHTKSSA-N 0 3 243.272 3.474 20 0 BGADHN C[C@@H](c1cccc(F)c1)N1CC[C@H](C(F)F)C1 ZINC000677729723 488106503 /nfs/dbraw/zinc/10/65/03/488106503.db2.gz HSGBPNSLEWLUEM-ONGXEEELSA-N 0 3 243.272 3.474 20 0 BGADHN FC1(F)CC2(CN(CC3CCCCC3)C2)C1 ZINC000677730729 488108780 /nfs/dbraw/zinc/10/87/80/488108780.db2.gz FNIDDBKVHQFOBE-UHFFFAOYSA-N 0 3 229.314 3.298 20 0 BGADHN Cc1cc(C)cc(CN2CC[C@@H](C(F)F)C2)c1 ZINC000677730959 488108613 /nfs/dbraw/zinc/10/86/13/488108613.db2.gz MSUYKPSZZSJXQW-CYBMUJFWSA-N 0 3 239.309 3.390 20 0 BGADHN Cc1cc(C)cc(CN2CC[C@H](C(F)F)C2)c1 ZINC000677730960 488108087 /nfs/dbraw/zinc/10/80/87/488108087.db2.gz MSUYKPSZZSJXQW-ZDUSSCGKSA-N 0 3 239.309 3.390 20 0 BGADHN Cc1cccc(CN2CC[C@@H](C(F)F)C2)c1 ZINC000677730969 488107749 /nfs/dbraw/zinc/10/77/49/488107749.db2.gz NLNLMVCKPPDFRY-GFCCVEGCSA-N 0 3 225.282 3.082 20 0 BGADHN Cc1cccc(CN2CC[C@H](C(F)F)C2)c1 ZINC000677730970 488108227 /nfs/dbraw/zinc/10/82/27/488108227.db2.gz NLNLMVCKPPDFRY-LBPRGKRZSA-N 0 3 225.282 3.082 20 0 BGADHN CCc1ccc(CN2CC[C@@H](C(F)F)C2)cc1 ZINC000677732001 488217378 /nfs/dbraw/zinc/21/73/78/488217378.db2.gz VQVJTOJRYSTAEK-CYBMUJFWSA-N 0 3 239.309 3.336 20 0 BGADHN CCc1ccc(CN2CC[C@H](C(F)F)C2)cc1 ZINC000677732002 488217299 /nfs/dbraw/zinc/21/72/99/488217299.db2.gz VQVJTOJRYSTAEK-ZDUSSCGKSA-N 0 3 239.309 3.336 20 0 BGADHN CC(C)(C)CCN1CC2(C1)CC(F)(F)C2 ZINC000677732861 488111007 /nfs/dbraw/zinc/11/10/07/488111007.db2.gz PKIBZMPMGZGTHD-UHFFFAOYSA-N 0 3 217.303 3.154 20 0 BGADHN FC1(F)CC2(CN(CCC3CCCC3)C2)C1 ZINC000677733235 488111453 /nfs/dbraw/zinc/11/14/53/488111453.db2.gz MYNMEQQJFCLWTO-UHFFFAOYSA-N 0 3 229.314 3.298 20 0 BGADHN Cc1cc(CN2CC[C@H](C(F)F)C2)c(C)s1 ZINC000677735493 488114237 /nfs/dbraw/zinc/11/42/37/488114237.db2.gz RMLQQKAHODNSLB-JTQLQIEISA-N 0 3 245.338 3.452 20 0 BGADHN Cc1cc(CN2CC[C@@H](C(F)F)C2)c(C)s1 ZINC000677735494 488113601 /nfs/dbraw/zinc/11/36/01/488113601.db2.gz RMLQQKAHODNSLB-SNVBAGLBSA-N 0 3 245.338 3.452 20 0 BGADHN C[C@H](c1ccccc1F)N1CC[C@@H](C(F)F)C1 ZINC000677735515 488114376 /nfs/dbraw/zinc/11/43/76/488114376.db2.gz RYEVGDPSTBSQEB-NXEZZACHSA-N 0 3 243.272 3.474 20 0 BGADHN C[C@@H](c1ccccc1F)N1CC[C@H](C(F)F)C1 ZINC000677735516 488114568 /nfs/dbraw/zinc/11/45/68/488114568.db2.gz RYEVGDPSTBSQEB-UWVGGRQHSA-N 0 3 243.272 3.474 20 0 BGADHN C[C@@H](c1ccccc1F)N1CC[C@@H](C(F)F)C1 ZINC000677735517 488114330 /nfs/dbraw/zinc/11/43/30/488114330.db2.gz RYEVGDPSTBSQEB-VHSXEESVSA-N 0 3 243.272 3.474 20 0 BGADHN C[C@H](c1ccccc1F)N1CC[C@H](C(F)F)C1 ZINC000677735518 488114554 /nfs/dbraw/zinc/11/45/54/488114554.db2.gz RYEVGDPSTBSQEB-ZJUUUORDSA-N 0 3 243.272 3.474 20 0 BGADHN FC(F)[C@@H]1CCN(CCCCC(F)(F)F)C1 ZINC000677736163 488113855 /nfs/dbraw/zinc/11/38/55/488113855.db2.gz YIKWSVVFPOPWCT-MRVPVSSYSA-N 0 3 245.235 3.306 20 0 BGADHN FC(F)[C@H]1CCN(CCCCC(F)(F)F)C1 ZINC000677736164 488114712 /nfs/dbraw/zinc/11/47/12/488114712.db2.gz YIKWSVVFPOPWCT-QMMMGPOBSA-N 0 3 245.235 3.306 20 0 BGADHN Cc1cc(CNCC2CCC(C)(C)CC2)ncn1 ZINC000678076665 488191992 /nfs/dbraw/zinc/19/19/92/488191992.db2.gz RYXLEDGWYKUBGQ-UHFFFAOYSA-N 0 3 247.386 3.091 20 0 BGADHN CC[C@@H]1CCCCN1Cc1n[nH]c2ccccc21 ZINC000678119915 488199608 /nfs/dbraw/zinc/19/96/08/488199608.db2.gz FFOLBPIAKLPCHI-GFCCVEGCSA-N 0 3 243.354 3.327 20 0 BGADHN CC[C@H]1CCCCN1Cc1n[nH]c2ccccc21 ZINC000678119916 488199525 /nfs/dbraw/zinc/19/95/25/488199525.db2.gz FFOLBPIAKLPCHI-LBPRGKRZSA-N 0 3 243.354 3.327 20 0 BGADHN CC(C)(C)N(Cc1cn[nH]c1)Cc1ccccc1 ZINC000678119927 488200061 /nfs/dbraw/zinc/20/00/61/488200061.db2.gz FUELWXVHFPAAJQ-UHFFFAOYSA-N 0 3 243.354 3.210 20 0 BGADHN C[C@@H]1CCC[C@@H](C)N1Cc1cnn(C(C)(C)C)c1 ZINC000678120166 488198439 /nfs/dbraw/zinc/19/84/39/488198439.db2.gz BDWZHWOZCHIAGE-CHWSQXEVSA-N 0 3 249.402 3.401 20 0 BGADHN C[C@H]1CCC[C@H](C)N1Cc1cnn(C(C)(C)C)c1 ZINC000678120167 488198477 /nfs/dbraw/zinc/19/84/77/488198477.db2.gz BDWZHWOZCHIAGE-STQMWFEESA-N 0 3 249.402 3.401 20 0 BGADHN CCCN(CCC)Cc1nn(C)c2ccccc12 ZINC000678120257 488199615 /nfs/dbraw/zinc/19/96/15/488199615.db2.gz DEHOSMMRWBMWGL-UHFFFAOYSA-N 0 3 245.370 3.195 20 0 BGADHN C[C@H]1C[C@H](C)CN(Cc2n[nH]c3ccccc32)C1 ZINC000678120765 488199666 /nfs/dbraw/zinc/19/96/66/488199666.db2.gz MCYIPNDPFGWWCB-RYUDHWBXSA-N 0 3 243.354 3.041 20 0 BGADHN C[C@@H]1C[C@H](C)CN(Cc2n[nH]c3ccccc32)C1 ZINC000678120766 488199715 /nfs/dbraw/zinc/19/97/15/488199715.db2.gz MCYIPNDPFGWWCB-TXEJJXNPSA-N 0 3 243.354 3.041 20 0 BGADHN C[C@@H]1C[C@@H](C)CN(Cc2n[nH]c3ccccc32)C1 ZINC000678120767 488199285 /nfs/dbraw/zinc/19/92/85/488199285.db2.gz MCYIPNDPFGWWCB-VXGBXAGGSA-N 0 3 243.354 3.041 20 0 BGADHN CCCN(CCC)Cc1cn2cccc(F)c2n1 ZINC000678120812 488199941 /nfs/dbraw/zinc/19/99/41/488199941.db2.gz PCEGGKQLUBAAGZ-UHFFFAOYSA-N 0 3 249.333 3.095 20 0 BGADHN CCCCN(CC)Cc1cn2cccc(F)c2n1 ZINC000678121093 488200820 /nfs/dbraw/zinc/20/08/20/488200820.db2.gz ODBVBUMEORWTBF-UHFFFAOYSA-N 0 3 249.333 3.095 20 0 BGADHN CCCCN(CC)Cc1[nH]nc2ccccc21 ZINC000678121165 488201011 /nfs/dbraw/zinc/20/10/11/488201011.db2.gz TVYOSNKWNYBCRB-UHFFFAOYSA-N 0 3 231.343 3.185 20 0 BGADHN CCCCN(CC)Cc1n[nH]c2ccccc21 ZINC000678121165 488201009 /nfs/dbraw/zinc/20/10/09/488201009.db2.gz TVYOSNKWNYBCRB-UHFFFAOYSA-N 0 3 231.343 3.185 20 0 BGADHN CCCCN(CC)Cc1nn(C)c2ccccc12 ZINC000678121227 488200639 /nfs/dbraw/zinc/20/06/39/488200639.db2.gz YKORJBRTWMLJLX-UHFFFAOYSA-N 0 3 245.370 3.195 20 0 BGADHN CC[C@@H](C)N(Cc1cn[nH]c1)Cc1ccccc1 ZINC000678124891 488202171 /nfs/dbraw/zinc/20/21/71/488202171.db2.gz MTLQEHSYDFJFQL-CYBMUJFWSA-N 0 3 243.354 3.210 20 0 BGADHN CC[C@H](C)N(Cc1cn[nH]c1)Cc1ccccc1 ZINC000678124892 488202047 /nfs/dbraw/zinc/20/20/47/488202047.db2.gz MTLQEHSYDFJFQL-ZDUSSCGKSA-N 0 3 243.354 3.210 20 0 BGADHN CCCN(Cc1cn[nH]c1)Cc1ccc(C)cc1 ZINC000678125984 488202204 /nfs/dbraw/zinc/20/22/04/488202204.db2.gz ZQHKSRYHNPSRBS-UHFFFAOYSA-N 0 3 243.354 3.130 20 0 BGADHN c1ccc2ncc(CN3C4CCC3CC4)cc2c1 ZINC000678131511 488202128 /nfs/dbraw/zinc/20/21/28/488202128.db2.gz BDMNJFSNERZRIN-UHFFFAOYSA-N 0 3 238.334 3.362 20 0 BGADHN CN(Cc1ccoc1)[C@H]1CCc2ccccc21 ZINC000678131735 488201724 /nfs/dbraw/zinc/20/17/24/488201724.db2.gz NBCODPBQKVEXTG-HNNXBMFYSA-N 0 3 227.307 3.399 20 0 BGADHN CN(Cc1ccoc1)[C@@H]1CCc2ccccc21 ZINC000678131737 488201526 /nfs/dbraw/zinc/20/15/26/488201526.db2.gz NBCODPBQKVEXTG-OAHLLOKOSA-N 0 3 227.307 3.399 20 0 BGADHN CN(Cc1ccccc1C1CC1)C[C@@H]1CCCO1 ZINC000678132790 488202701 /nfs/dbraw/zinc/20/27/01/488202701.db2.gz LIOZTDYUFJNUPK-HNNXBMFYSA-N 0 3 245.366 3.175 20 0 BGADHN CN(Cc1ccccc1C1CC1)C[C@H]1CCCO1 ZINC000678132791 488202667 /nfs/dbraw/zinc/20/26/67/488202667.db2.gz LIOZTDYUFJNUPK-OAHLLOKOSA-N 0 3 245.366 3.175 20 0 BGADHN c1ccc(C2CC2)c(CN2CCSCC2)c1 ZINC000678133684 488203158 /nfs/dbraw/zinc/20/31/58/488203158.db2.gz IPNNIJYUWWHDJY-UHFFFAOYSA-N 0 3 233.380 3.113 20 0 BGADHN Cc1ccc([C@@H]2CCCN2Cc2cn[nH]c2)cc1 ZINC000678134269 488202824 /nfs/dbraw/zinc/20/28/24/488202824.db2.gz URVYTUBNXUWYBN-HNNXBMFYSA-N 0 3 241.338 3.055 20 0 BGADHN Cc1ccc([C@H]2CCCN2Cc2cn[nH]c2)cc1 ZINC000678134270 488202601 /nfs/dbraw/zinc/20/26/01/488202601.db2.gz URVYTUBNXUWYBN-OAHLLOKOSA-N 0 3 241.338 3.055 20 0 BGADHN CCN(CCOC)Cc1ccccc1C1CC1 ZINC000678134360 488203312 /nfs/dbraw/zinc/20/33/12/488203312.db2.gz LOXQUDXSRXVPPG-UHFFFAOYSA-N 0 3 233.355 3.032 20 0 BGADHN CCC1CCC(N(Cc2cn[nH]c2)C2CC2)CC1 ZINC000678135587 488202898 /nfs/dbraw/zinc/20/28/98/488202898.db2.gz BNGYONKLDUDLEH-UHFFFAOYSA-N 0 3 247.386 3.343 20 0 BGADHN CC(C)[C@@H](C)N(C)Cc1nn(C)c2ccccc12 ZINC000678136308 488203666 /nfs/dbraw/zinc/20/36/66/488203666.db2.gz DWFGOSQNLSLTSE-GFCCVEGCSA-N 0 3 245.370 3.050 20 0 BGADHN CC(C)[C@H](C)N(C)Cc1nn(C)c2ccccc12 ZINC000678136311 488203914 /nfs/dbraw/zinc/20/39/14/488203914.db2.gz DWFGOSQNLSLTSE-LBPRGKRZSA-N 0 3 245.370 3.050 20 0 BGADHN CCc1ccc(CN(C)CCC(C)C)o1 ZINC000678136765 488203953 /nfs/dbraw/zinc/20/39/53/488203953.db2.gz HZFIZHYENIDHPU-UHFFFAOYSA-N 0 3 209.333 3.320 20 0 BGADHN CC(C)CCN(C)Cc1ccc(Cl)o1 ZINC000678137167 488204022 /nfs/dbraw/zinc/20/40/22/488204022.db2.gz LRKLRDBORPCSHE-UHFFFAOYSA-N 0 3 215.724 3.411 20 0 BGADHN Cc1cccc2ncc(CN(C)CCC(C)C)n21 ZINC000678137446 488203625 /nfs/dbraw/zinc/20/36/25/488203625.db2.gz NJZVZTGKCGDESX-UHFFFAOYSA-N 0 3 245.370 3.121 20 0 BGADHN COc1ccsc1CN(C)CCC(C)C ZINC000678137571 488204294 /nfs/dbraw/zinc/20/42/94/488204294.db2.gz PYKCPZDHWWOZNO-UHFFFAOYSA-N 0 3 227.373 3.235 20 0 BGADHN CN(Cc1cn[nH]c1)C1CCC(C(C)(C)C)CC1 ZINC000678137736 488203710 /nfs/dbraw/zinc/20/37/10/488203710.db2.gz UCLIYXVUUDMCOD-UHFFFAOYSA-N 0 3 249.402 3.446 20 0 BGADHN CC(C)CCN(C)Cc1nn(C)c2ccccc12 ZINC000678137778 488203803 /nfs/dbraw/zinc/20/38/03/488203803.db2.gz UZLJOVLZUCZMRP-UHFFFAOYSA-N 0 3 245.370 3.051 20 0 BGADHN CC[C@@H](c1ccccc1)N(C)Cc1c[nH]nc1C ZINC000678137819 488204334 /nfs/dbraw/zinc/20/43/34/488204334.db2.gz VSAMFEFFBZHAPS-HNNXBMFYSA-N 0 3 243.354 3.301 20 0 BGADHN CC[C@H](c1ccccc1)N(C)Cc1c[nH]nc1C ZINC000678137860 488203881 /nfs/dbraw/zinc/20/38/81/488203881.db2.gz VSAMFEFFBZHAPS-OAHLLOKOSA-N 0 3 243.354 3.301 20 0 BGADHN Cc1ccc([C@@H](C)N(C)Cc2cn[nH]c2)c(C)c1 ZINC000678137890 488204281 /nfs/dbraw/zinc/20/42/81/488204281.db2.gz WWYXGWYQVIAWIA-CYBMUJFWSA-N 0 3 243.354 3.220 20 0 BGADHN Cc1ccc([C@H](C)N(C)Cc2cn[nH]c2)c(C)c1 ZINC000678137891 488203608 /nfs/dbraw/zinc/20/36/08/488203608.db2.gz WWYXGWYQVIAWIA-ZDUSSCGKSA-N 0 3 243.354 3.220 20 0 BGADHN CC(C)CCN(C)Cc1[nH]nc2ccccc21 ZINC000678137901 487721409 /nfs/dbraw/zinc/72/14/09/487721409.db2.gz XLCDLBHEQUQGGG-UHFFFAOYSA-N 0 3 231.343 3.041 20 0 BGADHN CC(C)CCN(C)Cc1n[nH]c2ccccc21 ZINC000678137901 487721399 /nfs/dbraw/zinc/72/13/99/487721399.db2.gz XLCDLBHEQUQGGG-UHFFFAOYSA-N 0 3 231.343 3.041 20 0 BGADHN CCCCN(Cc1[nH]nc2ccccc21)C1CC1 ZINC000678138361 488205186 /nfs/dbraw/zinc/20/51/86/488205186.db2.gz QGADCSPNNBHDHZ-UHFFFAOYSA-N 0 3 243.354 3.327 20 0 BGADHN CCCCN(Cc1n[nH]c2ccccc21)C1CC1 ZINC000678138361 488205185 /nfs/dbraw/zinc/20/51/85/488205185.db2.gz QGADCSPNNBHDHZ-UHFFFAOYSA-N 0 3 243.354 3.327 20 0 BGADHN CCN(Cc1nccc2ccccc21)C1CC1 ZINC000678138551 488205413 /nfs/dbraw/zinc/20/54/13/488205413.db2.gz YLHDCOIPMJISMR-UHFFFAOYSA-N 0 3 226.323 3.219 20 0 BGADHN C[C@H](c1cccc(F)c1)N(C)CC1=CCCOC1 ZINC000678139877 488205127 /nfs/dbraw/zinc/20/51/27/488205127.db2.gz CFVJDBPVCFEDQB-GFCCVEGCSA-N 0 3 249.329 3.165 20 0 BGADHN C[C@@H](c1cccc(F)c1)N(C)CC1=CCCOC1 ZINC000678139878 488205208 /nfs/dbraw/zinc/20/52/08/488205208.db2.gz CFVJDBPVCFEDQB-LBPRGKRZSA-N 0 3 249.329 3.165 20 0 BGADHN Cc1cccc([C@@H]2CCCN2Cc2cn[nH]c2)c1 ZINC000678139915 488204852 /nfs/dbraw/zinc/20/48/52/488204852.db2.gz DZUFKGRFWZITGL-HNNXBMFYSA-N 0 3 241.338 3.055 20 0 BGADHN Cc1cccc([C@H]2CCCN2Cc2cn[nH]c2)c1 ZINC000678139916 488205561 /nfs/dbraw/zinc/20/55/61/488205561.db2.gz DZUFKGRFWZITGL-OAHLLOKOSA-N 0 3 241.338 3.055 20 0 BGADHN CCC[C@@H](C)N(C)Cc1cn2cccc(F)c2n1 ZINC000678140269 488205235 /nfs/dbraw/zinc/20/52/35/488205235.db2.gz CEROIUCGAVNPKC-LLVKDONJSA-N 0 3 249.333 3.094 20 0 BGADHN CCC[C@H](C)N(C)Cc1cn2cccc(F)c2n1 ZINC000678140270 488205164 /nfs/dbraw/zinc/20/51/64/488205164.db2.gz CEROIUCGAVNPKC-NSHDSACASA-N 0 3 249.333 3.094 20 0 BGADHN CCC[C@@H](C)N(C)Cc1n[nH]c2ccccc21 ZINC000678140312 488205535 /nfs/dbraw/zinc/20/55/35/488205535.db2.gz DJMMJLZAWOZKDO-LLVKDONJSA-N 0 3 231.343 3.183 20 0 BGADHN CCC[C@H](C)N(C)Cc1n[nH]c2ccccc21 ZINC000678140313 488205100 /nfs/dbraw/zinc/20/51/00/488205100.db2.gz DJMMJLZAWOZKDO-NSHDSACASA-N 0 3 231.343 3.183 20 0 BGADHN Cc1ccccc1[C@@H]1CCCN1Cc1cn[nH]c1 ZINC000678140859 488204969 /nfs/dbraw/zinc/20/49/69/488204969.db2.gz RNOGRDSFYPGHRW-HNNXBMFYSA-N 0 3 241.338 3.055 20 0 BGADHN Cc1ccccc1[C@H]1CCCN1Cc1cn[nH]c1 ZINC000678140860 488205081 /nfs/dbraw/zinc/20/50/81/488205081.db2.gz RNOGRDSFYPGHRW-OAHLLOKOSA-N 0 3 241.338 3.055 20 0 BGADHN CCN(Cc1nn(C)c2ccccc12)CC(C)C ZINC000678140878 488206828 /nfs/dbraw/zinc/20/68/28/488206828.db2.gz SZCAWKZYCMDMEI-UHFFFAOYSA-N 0 3 245.370 3.051 20 0 BGADHN CCC[C@@H](C)N(C)Cc1nn(C)c2ccccc12 ZINC000678141140 488206596 /nfs/dbraw/zinc/20/65/96/488206596.db2.gz QUXDKAMGXPRYTH-GFCCVEGCSA-N 0 3 245.370 3.194 20 0 BGADHN CCC[C@H](C)N(C)Cc1nn(C)c2ccccc12 ZINC000678141143 488206556 /nfs/dbraw/zinc/20/65/56/488206556.db2.gz QUXDKAMGXPRYTH-LBPRGKRZSA-N 0 3 245.370 3.194 20 0 BGADHN Cc1n[nH]cc1CN(C1CC1)C1CCCCC1 ZINC000678141281 488206193 /nfs/dbraw/zinc/20/61/93/488206193.db2.gz SZFLJOAPASKCHS-UHFFFAOYSA-N 0 3 233.359 3.015 20 0 BGADHN CCn1cc(CN(C2CC2)C2CCCCC2)cn1 ZINC000678141424 488206623 /nfs/dbraw/zinc/20/66/23/488206623.db2.gz HYEJNJGMXDVUKM-UHFFFAOYSA-N 0 3 247.386 3.200 20 0 BGADHN CN(Cc1ccccc1C1CC1)C1CC1 ZINC000678141467 488206086 /nfs/dbraw/zinc/20/60/86/488206086.db2.gz RHWXAYAVWLQFOT-UHFFFAOYSA-N 0 3 201.313 3.158 20 0 BGADHN Cc1nn(C)cc1CN(C1CC1)C1CCCCC1 ZINC000678141665 488206544 /nfs/dbraw/zinc/20/65/44/488206544.db2.gz LOKQSFDSPDSFHZ-UHFFFAOYSA-N 0 3 247.386 3.026 20 0 BGADHN OCc1ccc(CN(C2CC2)C2CCCCC2)o1 ZINC000678141699 488206335 /nfs/dbraw/zinc/20/63/35/488206335.db2.gz NGYHIJRKNHYDSH-UHFFFAOYSA-N 0 3 249.354 3.069 20 0 BGADHN CCn1nccc1CN(C1CC1)C1CCCCC1 ZINC000678141737 488206406 /nfs/dbraw/zinc/20/64/06/488206406.db2.gz PMBQEVCWSOTAHY-UHFFFAOYSA-N 0 3 247.386 3.200 20 0 BGADHN c1ncc(CN(C2CC2)C2CCCCC2)s1 ZINC000678141978 488206567 /nfs/dbraw/zinc/20/65/67/488206567.db2.gz YYDWUUOSOJAJRL-UHFFFAOYSA-N 0 3 236.384 3.440 20 0 BGADHN CC[C@@H](c1ccccc1)N(CC)Cc1cn[nH]c1 ZINC000678150040 488207318 /nfs/dbraw/zinc/20/73/18/488207318.db2.gz VUFHEWCJRFCROT-HNNXBMFYSA-N 0 3 243.354 3.383 20 0 BGADHN CC[C@H](c1ccccc1)N(CC)Cc1cn[nH]c1 ZINC000678150041 488207073 /nfs/dbraw/zinc/20/70/73/488207073.db2.gz VUFHEWCJRFCROT-OAHLLOKOSA-N 0 3 243.354 3.383 20 0 BGADHN C[C@@H](N(C)Cc1n[nH]c2ccccc21)C(C)(C)C ZINC000678153593 488209972 /nfs/dbraw/zinc/20/99/72/488209972.db2.gz OVUKEEAFJIUFOU-LLVKDONJSA-N 0 3 245.370 3.429 20 0 BGADHN C[C@H](N(C)Cc1n[nH]c2ccccc21)C(C)(C)C ZINC000678153596 488210005 /nfs/dbraw/zinc/21/00/05/488210005.db2.gz OVUKEEAFJIUFOU-NSHDSACASA-N 0 3 245.370 3.429 20 0 BGADHN CC(C)CN(Cc1n[nH]c2ccccc21)C1CC1 ZINC000678153641 488209919 /nfs/dbraw/zinc/20/99/19/488209919.db2.gz ZBUYZKUCRRKRAL-UHFFFAOYSA-N 0 3 243.354 3.183 20 0 BGADHN COCCN(Cc1ccsc1)C1CCCC1 ZINC000678155862 488209929 /nfs/dbraw/zinc/20/99/29/488209929.db2.gz GJCIJYAMDQREQD-UHFFFAOYSA-N 0 3 239.384 3.139 20 0 BGADHN CC(C)CN(Cc1cn[nH]c1)Cc1ccccc1 ZINC000678157299 488209388 /nfs/dbraw/zinc/20/93/88/488209388.db2.gz JFIAAWWVEOTESM-UHFFFAOYSA-N 0 3 243.354 3.068 20 0 BGADHN CC(C)=CCN1CCC(c2cccnc2)CC1 ZINC000678165816 488210647 /nfs/dbraw/zinc/21/06/47/488210647.db2.gz ATPXBXFROBCGPI-UHFFFAOYSA-N 0 3 230.355 3.227 20 0 BGADHN CC[C@@H](C)CN(C)Cc1nn(C)c2ccccc12 ZINC000678172763 488212277 /nfs/dbraw/zinc/21/22/77/488212277.db2.gz KCRZRIYAFLTGLF-GFCCVEGCSA-N 0 3 245.370 3.051 20 0 BGADHN CC[C@H](C)CN(C)Cc1nn(C)c2ccccc12 ZINC000678172764 488212445 /nfs/dbraw/zinc/21/24/45/488212445.db2.gz KCRZRIYAFLTGLF-LBPRGKRZSA-N 0 3 245.370 3.051 20 0 BGADHN CC[C@@H](C)CN(C)Cc1n[nH]c2ccccc21 ZINC000678172767 488212534 /nfs/dbraw/zinc/21/25/34/488212534.db2.gz KEDFBXGZCTYBAC-LLVKDONJSA-N 0 3 231.343 3.041 20 0 BGADHN CC[C@H](C)CN(C)Cc1n[nH]c2ccccc21 ZINC000678172768 488212141 /nfs/dbraw/zinc/21/21/41/488212141.db2.gz KEDFBXGZCTYBAC-NSHDSACASA-N 0 3 231.343 3.041 20 0 BGADHN CC[C@@H]1CCCN(Cc2n[nH]c3ccccc32)C1 ZINC000678180084 488214355 /nfs/dbraw/zinc/21/43/55/488214355.db2.gz SIXZPAXMUHEYHX-GFCCVEGCSA-N 0 3 243.354 3.185 20 0 BGADHN CC[C@H]1CCCN(Cc2n[nH]c3ccccc32)C1 ZINC000678180085 488213761 /nfs/dbraw/zinc/21/37/61/488213761.db2.gz SIXZPAXMUHEYHX-LBPRGKRZSA-N 0 3 243.354 3.185 20 0 BGADHN CC1(C)CCCN(Cc2[nH]nc3ccccc32)C1 ZINC000678184970 488215180 /nfs/dbraw/zinc/21/51/80/488215180.db2.gz YKVRRXZWVKALPO-UHFFFAOYSA-N 0 3 243.354 3.185 20 0 BGADHN CC1(C)CCCN(Cc2n[nH]c3ccccc32)C1 ZINC000678184970 488215178 /nfs/dbraw/zinc/21/51/78/488215178.db2.gz YKVRRXZWVKALPO-UHFFFAOYSA-N 0 3 243.354 3.185 20 0 BGADHN CCC1CCN(Cc2[nH]nc3ccccc32)CC1 ZINC000678195815 488215961 /nfs/dbraw/zinc/21/59/61/488215961.db2.gz QRGCLOOYCLHBNT-UHFFFAOYSA-N 0 3 243.354 3.185 20 0 BGADHN CCC1CCN(Cc2n[nH]c3ccccc32)CC1 ZINC000678195815 488215957 /nfs/dbraw/zinc/21/59/57/488215957.db2.gz QRGCLOOYCLHBNT-UHFFFAOYSA-N 0 3 243.354 3.185 20 0 BGADHN CN(Cc1[nH]nc2ccccc21)CC(C)(C)C ZINC000678196175 488216711 /nfs/dbraw/zinc/21/67/11/488216711.db2.gz UEQTUENHXVQAFT-UHFFFAOYSA-N 0 3 231.343 3.041 20 0 BGADHN CN(Cc1n[nH]c2ccccc21)CC(C)(C)C ZINC000678196175 488216709 /nfs/dbraw/zinc/21/67/09/488216709.db2.gz UEQTUENHXVQAFT-UHFFFAOYSA-N 0 3 231.343 3.041 20 0 BGADHN CN(Cc1nn(C)c2ccccc12)CC(C)(C)C ZINC000678196272 488217207 /nfs/dbraw/zinc/21/72/07/488217207.db2.gz ZEJKZTBRNGLGJP-UHFFFAOYSA-N 0 3 245.370 3.051 20 0 BGADHN Oc1ccc([C@@H]2CCCN2Cc2ccco2)cc1 ZINC000678212864 488217855 /nfs/dbraw/zinc/21/78/55/488217855.db2.gz ONSMGVLOXLQPEI-HNNXBMFYSA-N 0 3 243.306 3.322 20 0 BGADHN Oc1ccc([C@H]2CCCN2Cc2ccco2)cc1 ZINC000678212866 488218277 /nfs/dbraw/zinc/21/82/77/488218277.db2.gz ONSMGVLOXLQPEI-OAHLLOKOSA-N 0 3 243.306 3.322 20 0 BGADHN C[C@@H]1CCCN(Cc2n[nH]c3ccccc32)CC1 ZINC000678216016 487759968 /nfs/dbraw/zinc/75/99/68/487759968.db2.gz ABTYMWMGPLDFDX-GFCCVEGCSA-N 0 3 243.354 3.185 20 0 BGADHN C[C@H]1CCCN(Cc2n[nH]c3ccccc32)CC1 ZINC000678216017 487759730 /nfs/dbraw/zinc/75/97/30/487759730.db2.gz ABTYMWMGPLDFDX-LBPRGKRZSA-N 0 3 243.354 3.185 20 0 BGADHN CCOCCN(CC)Cc1ccccc1C1CC1 ZINC000678216724 488219163 /nfs/dbraw/zinc/21/91/63/488219163.db2.gz YWSHQCDPQJEMQG-UHFFFAOYSA-N 0 3 247.382 3.422 20 0 BGADHN CN(Cc1n[nH]c2ccccc21)CC1CCCC1 ZINC000678220866 488220623 /nfs/dbraw/zinc/22/06/23/488220623.db2.gz UUWSZGUYWQJANQ-UHFFFAOYSA-N 0 3 243.354 3.185 20 0 BGADHN C[C@@H]1CCCN(Cc2n[nH]c3ccccc32)[C@H]1C ZINC000678222074 488220271 /nfs/dbraw/zinc/22/02/71/488220271.db2.gz GVXQTEAEPYBZSF-NEPJUHHUSA-N 0 3 243.354 3.183 20 0 BGADHN C[C@@H]1[C@@H](C)CCCN1Cc1n[nH]c2ccccc21 ZINC000678222075 488220313 /nfs/dbraw/zinc/22/03/13/488220313.db2.gz GVXQTEAEPYBZSF-NWDGAFQWSA-N 0 3 243.354 3.183 20 0 BGADHN C[C@H]1CCCN(Cc2n[nH]c3ccccc32)[C@H]1C ZINC000678222076 488220803 /nfs/dbraw/zinc/22/08/03/488220803.db2.gz GVXQTEAEPYBZSF-RYUDHWBXSA-N 0 3 243.354 3.183 20 0 BGADHN C[C@@H]1CCCN(Cc2n[nH]c3ccccc32)[C@@H]1C ZINC000678222077 488220026 /nfs/dbraw/zinc/22/00/26/488220026.db2.gz GVXQTEAEPYBZSF-VXGBXAGGSA-N 0 3 243.354 3.183 20 0 BGADHN CCN(Cc1cccs1)Cc1ccc(O)cc1 ZINC000678222831 488220610 /nfs/dbraw/zinc/22/06/10/488220610.db2.gz IGQOWDMWIKGKJG-UHFFFAOYSA-N 0 3 247.363 3.476 20 0 BGADHN CC1(C)CCN(Cc2[nH]nc3ccccc32)CC1 ZINC000678234363 488222003 /nfs/dbraw/zinc/22/20/03/488222003.db2.gz DXFPNHWISNLYEN-UHFFFAOYSA-N 0 3 243.354 3.185 20 0 BGADHN CC1(C)CCN(Cc2n[nH]c3ccccc32)CC1 ZINC000678234363 488222001 /nfs/dbraw/zinc/22/20/01/488222001.db2.gz DXFPNHWISNLYEN-UHFFFAOYSA-N 0 3 243.354 3.185 20 0 BGADHN C[C@@H]1CN(Cc2ccccc2C2CC2)CCCO1 ZINC000678239197 488223035 /nfs/dbraw/zinc/22/30/35/488223035.db2.gz WFCXUQKZASINBB-CYBMUJFWSA-N 0 3 245.366 3.175 20 0 BGADHN C[C@H]1CN(Cc2ccccc2C2CC2)CCCO1 ZINC000678239198 488223157 /nfs/dbraw/zinc/22/31/57/488223157.db2.gz WFCXUQKZASINBB-ZDUSSCGKSA-N 0 3 245.366 3.175 20 0 BGADHN Fc1cccc(F)c1CN1CCC[C@H]1C1CC1 ZINC000678239695 488224023 /nfs/dbraw/zinc/22/40/23/488224023.db2.gz NUUWNPVJHFGZOB-AWEZNQCLSA-N 0 3 237.293 3.339 20 0 BGADHN Fc1cccc(F)c1CN1CCC[C@@H]1C1CC1 ZINC000678239696 488224513 /nfs/dbraw/zinc/22/45/13/488224513.db2.gz NUUWNPVJHFGZOB-CQSZACIVSA-N 0 3 237.293 3.339 20 0 BGADHN c1nc(C2CC2)sc1CN1CCC[C@@H]1C1CC1 ZINC000678239996 488224015 /nfs/dbraw/zinc/22/40/15/488224015.db2.gz SCGYJQCLOWDLJC-CYBMUJFWSA-N 0 3 248.395 3.395 20 0 BGADHN c1nc(C2CC2)sc1CN1CCC[C@H]1C1CC1 ZINC000678240015 488224072 /nfs/dbraw/zinc/22/40/72/488224072.db2.gz SCGYJQCLOWDLJC-ZDUSSCGKSA-N 0 3 248.395 3.395 20 0 BGADHN Fc1cc(F)cc(CN2CCC[C@H]2C2CC2)c1 ZINC000678240147 488224041 /nfs/dbraw/zinc/22/40/41/488224041.db2.gz UEGWVIYWPWEVRR-AWEZNQCLSA-N 0 3 237.293 3.339 20 0 BGADHN Fc1cc(F)cc(CN2CCC[C@@H]2C2CC2)c1 ZINC000678240149 488224144 /nfs/dbraw/zinc/22/41/44/488224144.db2.gz UEGWVIYWPWEVRR-CQSZACIVSA-N 0 3 237.293 3.339 20 0 BGADHN Clc1ccc(CN2CCC[C@@H]2C2CC2)o1 ZINC000678240686 488223891 /nfs/dbraw/zinc/22/38/91/488223891.db2.gz ZXBIWBLGLYOPCM-LLVKDONJSA-N 0 3 225.719 3.307 20 0 BGADHN Clc1ccc(CN2CCC[C@H]2C2CC2)o1 ZINC000678240687 488224568 /nfs/dbraw/zinc/22/45/68/488224568.db2.gz ZXBIWBLGLYOPCM-NSHDSACASA-N 0 3 225.719 3.307 20 0 BGADHN Cn1ccc(CN2CCCc3sccc3C2)c1 ZINC000678259088 541374449 /nfs/dbraw/zinc/37/44/49/541374449.db2.gz ABVRKSLOJOIGHG-UHFFFAOYSA-N 0 3 246.379 3.035 20 0 BGADHN CCC(C)(C)N(C)Cc1nn(C)c2ccccc12 ZINC000678259359 488225012 /nfs/dbraw/zinc/22/50/12/488225012.db2.gz MKEAGENDTJGSEN-UHFFFAOYSA-N 0 3 245.370 3.194 20 0 BGADHN Cn1cccc1CN1CCCc2sccc2C1 ZINC000678259633 488227331 /nfs/dbraw/zinc/22/73/31/488227331.db2.gz UWONHNCSHWCKCO-UHFFFAOYSA-N 0 3 246.379 3.035 20 0 BGADHN CCC(C)(C)N(C)Cc1cn2cccc(F)c2n1 ZINC000678259760 488225516 /nfs/dbraw/zinc/22/55/16/488225516.db2.gz YYJNAULUOYFUJN-UHFFFAOYSA-N 0 3 249.333 3.094 20 0 BGADHN CCc1ccc(CN2CC[C@@H](c3ccco3)C2)o1 ZINC000678262221 488229404 /nfs/dbraw/zinc/22/94/04/488229404.db2.gz IKMGQMKOUQCFBF-GFCCVEGCSA-N 0 3 245.322 3.425 20 0 BGADHN CCc1ccc(CN2CC[C@H](c3ccco3)C2)o1 ZINC000678262222 488229274 /nfs/dbraw/zinc/22/92/74/488229274.db2.gz IKMGQMKOUQCFBF-LBPRGKRZSA-N 0 3 245.322 3.425 20 0 BGADHN Cc1ncsc1CN1CC[C@@H](c2ccco2)C1 ZINC000678262356 488229454 /nfs/dbraw/zinc/22/94/54/488229454.db2.gz NOBQXUJYLKYDAZ-LLVKDONJSA-N 0 3 248.351 3.034 20 0 BGADHN Cc1ncsc1CN1CC[C@H](c2ccco2)C1 ZINC000678262357 488229785 /nfs/dbraw/zinc/22/97/85/488229785.db2.gz NOBQXUJYLKYDAZ-NSHDSACASA-N 0 3 248.351 3.034 20 0 BGADHN Cc1ccoc1CN1CC[C@@H](c2ccco2)C1 ZINC000678262520 488229395 /nfs/dbraw/zinc/22/93/95/488229395.db2.gz STYJJMCCRSLNJF-GFCCVEGCSA-N 0 3 231.295 3.171 20 0 BGADHN Cc1ccoc1CN1CC[C@H](c2ccco2)C1 ZINC000678262521 488229593 /nfs/dbraw/zinc/22/95/93/488229593.db2.gz STYJJMCCRSLNJF-LBPRGKRZSA-N 0 3 231.295 3.171 20 0 BGADHN CC(C)[C@@H](c1ccccc1)N(C)Cc1cn[nH]c1 ZINC000678264057 488229513 /nfs/dbraw/zinc/22/95/13/488229513.db2.gz JLDPJTUYNMVBMP-HNNXBMFYSA-N 0 3 243.354 3.239 20 0 BGADHN CC(C)[C@H](c1ccccc1)N(C)Cc1cn[nH]c1 ZINC000678264058 488229759 /nfs/dbraw/zinc/22/97/59/488229759.db2.gz JLDPJTUYNMVBMP-OAHLLOKOSA-N 0 3 243.354 3.239 20 0 BGADHN CN(Cc1cn[nH]c1)C[C@@H]1CCCC(C)(C)C1 ZINC000678265900 488230278 /nfs/dbraw/zinc/23/02/78/488230278.db2.gz CTLKYEPEMHBECM-GFCCVEGCSA-N 0 3 235.375 3.058 20 0 BGADHN CN(Cc1cn[nH]c1)C[C@H]1CCCC(C)(C)C1 ZINC000678265901 488230083 /nfs/dbraw/zinc/23/00/83/488230083.db2.gz CTLKYEPEMHBECM-LBPRGKRZSA-N 0 3 235.375 3.058 20 0 BGADHN CN(Cc1cn[nH]c1)CC1CCC(C)(C)CC1 ZINC000678265907 488230212 /nfs/dbraw/zinc/23/02/12/488230212.db2.gz CYXBPYKHLJGJBD-UHFFFAOYSA-N 0 3 235.375 3.058 20 0 BGADHN CCCC1CCC(N(C)Cc2cn[nH]c2)CC1 ZINC000678266038 488230135 /nfs/dbraw/zinc/23/01/35/488230135.db2.gz JYVMBTSROVLZMO-UHFFFAOYSA-N 0 3 235.375 3.200 20 0 BGADHN CC[C@@H](CN(C)Cc1cn[nH]c1)c1ccccc1 ZINC000678266080 488230036 /nfs/dbraw/zinc/23/00/36/488230036.db2.gz LVHPTCAEGTXZRN-AWEZNQCLSA-N 0 3 243.354 3.035 20 0 BGADHN CC[C@H](CN(C)Cc1cn[nH]c1)c1ccccc1 ZINC000678266081 488230162 /nfs/dbraw/zinc/23/01/62/488230162.db2.gz LVHPTCAEGTXZRN-CQSZACIVSA-N 0 3 243.354 3.035 20 0 BGADHN CC(C)(C)[C@@H]1CCCN(Cc2cn[nH]c2)CC1 ZINC000678267106 488230931 /nfs/dbraw/zinc/23/09/31/488230931.db2.gz MUNYGAJLKRXBEC-CYBMUJFWSA-N 0 3 235.375 3.058 20 0 BGADHN CC(C)(C)[C@H]1CCCN(Cc2cn[nH]c2)CC1 ZINC000678267108 488230919 /nfs/dbraw/zinc/23/09/19/488230919.db2.gz MUNYGAJLKRXBEC-ZDUSSCGKSA-N 0 3 235.375 3.058 20 0 BGADHN CC1(C)CCC[C@@H](CN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000678268465 488230863 /nfs/dbraw/zinc/23/08/63/488230863.db2.gz CPSSPFTYQKEGQZ-MCIONIFRSA-N 0 3 237.387 3.066 20 0 BGADHN CC1(C)CCC[C@H](CN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000678268466 488231416 /nfs/dbraw/zinc/23/14/16/488231416.db2.gz CPSSPFTYQKEGQZ-MELADBBJSA-N 0 3 237.387 3.066 20 0 BGADHN CC[C@H](CN1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC000678268592 488231452 /nfs/dbraw/zinc/23/14/52/488231452.db2.gz LREDBMYFQFTIDE-BMFZPTHFSA-N 0 3 245.366 3.043 20 0 BGADHN CC[C@@H](CN1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC000678268593 488231111 /nfs/dbraw/zinc/23/11/11/488231111.db2.gz LREDBMYFQFTIDE-CWRNSKLLSA-N 0 3 245.366 3.043 20 0 BGADHN C[C@H]1CN(Cc2cscc2Cl)C[C@H]1C ZINC000678270622 488233140 /nfs/dbraw/zinc/23/31/40/488233140.db2.gz GNDMPTWICZYVQA-DTORHVGOSA-N 0 3 229.776 3.489 20 0 BGADHN C[C@H]1CN(Cc2cscc2Cl)C[C@@H]1C ZINC000678270623 488232599 /nfs/dbraw/zinc/23/25/99/488232599.db2.gz GNDMPTWICZYVQA-IUCAKERBSA-N 0 3 229.776 3.489 20 0 BGADHN C[C@@H]1CN(Cc2cscc2Cl)C[C@H]1C ZINC000678270624 488232839 /nfs/dbraw/zinc/23/28/39/488232839.db2.gz GNDMPTWICZYVQA-RKDXNWHRSA-N 0 3 229.776 3.489 20 0 BGADHN CC1=CCN(Cc2nccc3ccccc32)CC1 ZINC000678270656 488232937 /nfs/dbraw/zinc/23/29/37/488232937.db2.gz HSIQUCJCIQYWFU-UHFFFAOYSA-N 0 3 238.334 3.387 20 0 BGADHN C[C@@H]1CCN(Cc2[nH]nc3ccccc32)C[C@@H]1C ZINC000678271006 488233061 /nfs/dbraw/zinc/23/30/61/488233061.db2.gz WGVFNSOIBSRDHG-NEPJUHHUSA-N 0 3 243.354 3.041 20 0 BGADHN C[C@@H]1CCN(Cc2n[nH]c3ccccc32)C[C@@H]1C ZINC000678271006 488233059 /nfs/dbraw/zinc/23/30/59/488233059.db2.gz WGVFNSOIBSRDHG-NEPJUHHUSA-N 0 3 243.354 3.041 20 0 BGADHN C[C@H]1CCN(Cc2[nH]nc3ccccc32)C[C@H]1C ZINC000678271007 488232865 /nfs/dbraw/zinc/23/28/65/488232865.db2.gz WGVFNSOIBSRDHG-NWDGAFQWSA-N 0 3 243.354 3.041 20 0 BGADHN C[C@H]1CCN(Cc2n[nH]c3ccccc32)C[C@H]1C ZINC000678271007 488232863 /nfs/dbraw/zinc/23/28/63/488232863.db2.gz WGVFNSOIBSRDHG-NWDGAFQWSA-N 0 3 243.354 3.041 20 0 BGADHN C[C@H]1CN(Cc2[nH]nc3ccccc32)CC[C@@H]1C ZINC000678271008 488232709 /nfs/dbraw/zinc/23/27/09/488232709.db2.gz WGVFNSOIBSRDHG-RYUDHWBXSA-N 0 3 243.354 3.041 20 0 BGADHN C[C@H]1CN(Cc2n[nH]c3ccccc32)CC[C@@H]1C ZINC000678271008 488232707 /nfs/dbraw/zinc/23/27/07/488232707.db2.gz WGVFNSOIBSRDHG-RYUDHWBXSA-N 0 3 243.354 3.041 20 0 BGADHN C[C@@H]1CCN(Cc2[nH]nc3ccccc32)C[C@H]1C ZINC000678271009 488232778 /nfs/dbraw/zinc/23/27/78/488232778.db2.gz WGVFNSOIBSRDHG-VXGBXAGGSA-N 0 3 243.354 3.041 20 0 BGADHN C[C@@H]1CCN(Cc2n[nH]c3ccccc32)C[C@H]1C ZINC000678271009 488232776 /nfs/dbraw/zinc/23/27/76/488232776.db2.gz WGVFNSOIBSRDHG-VXGBXAGGSA-N 0 3 243.354 3.041 20 0 BGADHN C[C@@H]1CC[C@H](C)N(Cc2n[nH]c3ccccc32)C1 ZINC000678271369 488232747 /nfs/dbraw/zinc/23/27/47/488232747.db2.gz UAUYPYGXOXQMRI-NEPJUHHUSA-N 0 3 243.354 3.183 20 0 BGADHN C[C@@H]1CC[C@H](C)CN1Cc1n[nH]c2ccccc21 ZINC000678271370 488232687 /nfs/dbraw/zinc/23/26/87/488232687.db2.gz UAUYPYGXOXQMRI-NWDGAFQWSA-N 0 3 243.354 3.183 20 0 BGADHN C[C@H]1CC[C@H](C)N(Cc2n[nH]c3ccccc32)C1 ZINC000678271371 488232815 /nfs/dbraw/zinc/23/28/15/488232815.db2.gz UAUYPYGXOXQMRI-RYUDHWBXSA-N 0 3 243.354 3.183 20 0 BGADHN C[C@@H]1CC[C@@H](C)N(Cc2n[nH]c3ccccc32)C1 ZINC000678271372 488232788 /nfs/dbraw/zinc/23/27/88/488232788.db2.gz UAUYPYGXOXQMRI-VXGBXAGGSA-N 0 3 243.354 3.183 20 0 BGADHN C[C@@H]1COCCCN1Cc1ccccc1C1CC1 ZINC000678272647 488233377 /nfs/dbraw/zinc/23/33/77/488233377.db2.gz GAWVDECXWLBSNP-CYBMUJFWSA-N 0 3 245.366 3.175 20 0 BGADHN C[C@H]1COCCCN1Cc1ccccc1C1CC1 ZINC000678272648 488233846 /nfs/dbraw/zinc/23/38/46/488233846.db2.gz GAWVDECXWLBSNP-ZDUSSCGKSA-N 0 3 245.366 3.175 20 0 BGADHN C[C@@H]1COCCCN1Cc1coc2ccccc12 ZINC000678273764 490128706 /nfs/dbraw/zinc/12/87/06/490128706.db2.gz LWXYYCPLVNFNSL-GFCCVEGCSA-N 0 3 245.322 3.044 20 0 BGADHN C[C@H]1COCCCN1Cc1coc2ccccc12 ZINC000678273767 490128677 /nfs/dbraw/zinc/12/86/77/490128677.db2.gz LWXYYCPLVNFNSL-LBPRGKRZSA-N 0 3 245.322 3.044 20 0 BGADHN C/C(=C\c1ccccc1)CN1CCCOC[C@H]1C ZINC000678274245 488234303 /nfs/dbraw/zinc/23/43/03/488234303.db2.gz PEHSPHHWSSCTRE-ATGUSINASA-N 0 3 245.366 3.201 20 0 BGADHN C/C(=C\c1ccccc1)CN1CCCOC[C@@H]1C ZINC000678274246 488234639 /nfs/dbraw/zinc/23/46/39/488234639.db2.gz PEHSPHHWSSCTRE-GOFCXVBSSA-N 0 3 245.366 3.201 20 0 BGADHN C/C(=C/c1ccccc1)CN1CCCOC[C@H]1C ZINC000678274248 488234757 /nfs/dbraw/zinc/23/47/57/488234757.db2.gz PEHSPHHWSSCTRE-QKXCFHHRSA-N 0 3 245.366 3.201 20 0 BGADHN C/C(=C/c1ccccc1)CN1CCCOC[C@@H]1C ZINC000678274250 488234498 /nfs/dbraw/zinc/23/44/98/488234498.db2.gz PEHSPHHWSSCTRE-SZGZABIGSA-N 0 3 245.366 3.201 20 0 BGADHN Cc1cc(C)c(CN2CCCOC[C@@H]2C)cc1C ZINC000678275175 488234493 /nfs/dbraw/zinc/23/44/93/488234493.db2.gz UVABCDMWEKPEJY-HNNXBMFYSA-N 0 3 247.382 3.223 20 0 BGADHN Cc1cc(C)c(CN2CCCOC[C@H]2C)cc1C ZINC000678275177 488234583 /nfs/dbraw/zinc/23/45/83/488234583.db2.gz UVABCDMWEKPEJY-OAHLLOKOSA-N 0 3 247.382 3.223 20 0 BGADHN CCCn1cc(CN2C3CCCC2CCC3)cn1 ZINC000678278946 488236195 /nfs/dbraw/zinc/23/61/95/488236195.db2.gz IMPNSYQTQKJRIY-UHFFFAOYSA-N 0 3 247.386 3.200 20 0 BGADHN Cc1ncccc1CN1C2CCCC1CCC2 ZINC000678279706 488236478 /nfs/dbraw/zinc/23/64/78/488236478.db2.gz QTUHLYOCNLEYSP-UHFFFAOYSA-N 0 3 230.355 3.297 20 0 BGADHN c1ncc(CN2C3CCCC2CCC3)s1 ZINC000678280080 488236189 /nfs/dbraw/zinc/23/61/89/488236189.db2.gz XBRMEVFGFHQFHC-UHFFFAOYSA-N 0 3 222.357 3.050 20 0 BGADHN Cc1ccc([O-])c(C[NH+]2C3CCCC2CCC3)n1 ZINC000678280245 488236451 /nfs/dbraw/zinc/23/64/51/488236451.db2.gz XRHUHZUIVBTRAE-UHFFFAOYSA-N 0 3 246.354 3.003 20 0 BGADHN Cc1ncsc1CN1C2CCCC1CCC2 ZINC000678280280 488236311 /nfs/dbraw/zinc/23/63/11/488236311.db2.gz YJHWHBUJPHKPJA-UHFFFAOYSA-N 0 3 236.384 3.359 20 0 BGADHN CC1(C)[C@@H]2CN(Cc3cscc3Cl)C[C@@H]21 ZINC000678280602 488066123 /nfs/dbraw/zinc/06/61/23/488066123.db2.gz VVJIBMCHUYOZBB-AOOOYVTPSA-N 0 3 241.787 3.489 20 0 BGADHN c1coc(CN2C3CCCC2CCC3)c1 ZINC000678282320 488237291 /nfs/dbraw/zinc/23/72/91/488237291.db2.gz YWRDPFGZEKIDDA-UHFFFAOYSA-N 0 3 205.301 3.187 20 0 BGADHN COCc1ccc(CN2C3CCCC2CCC3)o1 ZINC000678282387 488237315 /nfs/dbraw/zinc/23/73/15/488237315.db2.gz ZWBCAFRDUOXSFK-UHFFFAOYSA-N 0 3 249.354 3.333 20 0 BGADHN Cn1ccc(CN2CCC(C3CCCC3)CC2)c1 ZINC000678282743 488236969 /nfs/dbraw/zinc/23/69/69/488236969.db2.gz GXMIPFWVQCDRGT-UHFFFAOYSA-N 0 3 246.398 3.427 20 0 BGADHN Cn1cccc1CN1CCC(C2CCCC2)CC1 ZINC000678283083 488236903 /nfs/dbraw/zinc/23/69/03/488236903.db2.gz YQXGIZQYZDWYJG-UHFFFAOYSA-N 0 3 246.398 3.427 20 0 BGADHN c1n[nH]cc1CN1CCCC2(C1)CCCCCC2 ZINC000678283714 488236750 /nfs/dbraw/zinc/23/67/50/488236750.db2.gz QASUIWPKFAUTDX-UHFFFAOYSA-N 0 3 247.386 3.346 20 0 BGADHN CC[C@@]1(C)CCN(Cc2[nH]nc3ccccc32)C1 ZINC000678285405 488237178 /nfs/dbraw/zinc/23/71/78/488237178.db2.gz ALKGPSCTGCMZIQ-HNNXBMFYSA-N 0 3 243.354 3.185 20 0 BGADHN CC[C@@]1(C)CCN(Cc2n[nH]c3ccccc32)C1 ZINC000678285405 488237176 /nfs/dbraw/zinc/23/71/76/488237176.db2.gz ALKGPSCTGCMZIQ-HNNXBMFYSA-N 0 3 243.354 3.185 20 0 BGADHN CC[C@]1(C)CCN(Cc2[nH]nc3ccccc32)C1 ZINC000678285406 488237339 /nfs/dbraw/zinc/23/73/39/488237339.db2.gz ALKGPSCTGCMZIQ-OAHLLOKOSA-N 0 3 243.354 3.185 20 0 BGADHN CC[C@]1(C)CCN(Cc2n[nH]c3ccccc32)C1 ZINC000678285406 488237337 /nfs/dbraw/zinc/23/73/37/488237337.db2.gz ALKGPSCTGCMZIQ-OAHLLOKOSA-N 0 3 243.354 3.185 20 0 BGADHN CN(C)c1ccc(CN(C)CCC(C)(C)C)cn1 ZINC000678315543 488240277 /nfs/dbraw/zinc/24/02/77/488240277.db2.gz TXHXSMNNWJSEMM-UHFFFAOYSA-N 0 3 249.402 3.016 20 0 BGADHN C[C@@H](N(C)Cc1[nH]nc2ccccc21)C1(C)CC1 ZINC000678333519 488240466 /nfs/dbraw/zinc/24/04/66/488240466.db2.gz CSBZVMPKONESFB-LLVKDONJSA-N 0 3 243.354 3.183 20 0 BGADHN C[C@@H](N(C)Cc1n[nH]c2ccccc21)C1(C)CC1 ZINC000678333519 488240463 /nfs/dbraw/zinc/24/04/63/488240463.db2.gz CSBZVMPKONESFB-LLVKDONJSA-N 0 3 243.354 3.183 20 0 BGADHN C[C@H](N(C)Cc1[nH]nc2ccccc21)C1(C)CC1 ZINC000678333522 488240644 /nfs/dbraw/zinc/24/06/44/488240644.db2.gz CSBZVMPKONESFB-NSHDSACASA-N 0 3 243.354 3.183 20 0 BGADHN C[C@H](N(C)Cc1n[nH]c2ccccc21)C1(C)CC1 ZINC000678333522 488240642 /nfs/dbraw/zinc/24/06/42/488240642.db2.gz CSBZVMPKONESFB-NSHDSACASA-N 0 3 243.354 3.183 20 0 BGADHN CC(C)CC[C@@H]1CCCCN1Cc1cn[nH]c1 ZINC000678336828 488242230 /nfs/dbraw/zinc/24/22/30/488242230.db2.gz GMJXBUJHXKBLHJ-AWEZNQCLSA-N 0 3 235.375 3.200 20 0 BGADHN COC(C)(C)CN(C)Cc1coc2ccccc12 ZINC000678336831 488242120 /nfs/dbraw/zinc/24/21/20/488242120.db2.gz MOOFQXIFOZMXIE-UHFFFAOYSA-N 0 3 247.338 3.290 20 0 BGADHN CC(C)CC[C@H]1CCCCN1Cc1cn[nH]c1 ZINC000678336840 488241848 /nfs/dbraw/zinc/24/18/48/488241848.db2.gz GMJXBUJHXKBLHJ-CQSZACIVSA-N 0 3 235.375 3.200 20 0 BGADHN CC(C)CCC1CCN(Cc2cn[nH]c2)CC1 ZINC000678337625 488242103 /nfs/dbraw/zinc/24/21/03/488242103.db2.gz OWQVTFIRKHUVQL-UHFFFAOYSA-N 0 3 235.375 3.058 20 0 BGADHN c1n[nH]cc1CN1CCC[C@H]1CCC1CCCC1 ZINC000678340217 488242932 /nfs/dbraw/zinc/24/29/32/488242932.db2.gz RUDHORMAYVXJTC-HNNXBMFYSA-N 0 3 247.386 3.345 20 0 BGADHN c1n[nH]cc1CN1CCC[C@@H]1CCC1CCCC1 ZINC000678340218 488242588 /nfs/dbraw/zinc/24/25/88/488242588.db2.gz RUDHORMAYVXJTC-OAHLLOKOSA-N 0 3 247.386 3.345 20 0 BGADHN c1ccc2c(c1)ccnc2CN1CCCCC1 ZINC000678343637 488243450 /nfs/dbraw/zinc/24/34/50/488243450.db2.gz VWMHVURGJSHIRV-UHFFFAOYSA-N 0 3 226.323 3.221 20 0 BGADHN CN(Cc1cc2ccccc2[nH]1)C1CCC1 ZINC000678349854 488245618 /nfs/dbraw/zinc/24/56/18/488245618.db2.gz OJGNNTJHCBGJDP-UHFFFAOYSA-N 0 3 214.312 3.152 20 0 BGADHN CN(Cc1cc2ccccc2[nH]1)[C@@H]1CCSC1 ZINC000678350458 488245538 /nfs/dbraw/zinc/24/55/38/488245538.db2.gz YLEZXDBWDJIDGN-CYBMUJFWSA-N 0 3 246.379 3.105 20 0 BGADHN CN(Cc1cc2ccccc2[nH]1)[C@H]1CCSC1 ZINC000678350459 490202331 /nfs/dbraw/zinc/20/23/31/490202331.db2.gz YLEZXDBWDJIDGN-ZDUSSCGKSA-N 0 3 246.379 3.105 20 0 BGADHN CCCC[C@@H](CC)CCNCc1cc(C)n[nH]1 ZINC000678360587 488246481 /nfs/dbraw/zinc/24/64/81/488246481.db2.gz PDHLCYGKBCWUMV-CYBMUJFWSA-N 0 3 237.391 3.414 20 0 BGADHN CCCC[C@H](CC)CCNCc1cc(C)n[nH]1 ZINC000678360588 488246613 /nfs/dbraw/zinc/24/66/13/488246613.db2.gz PDHLCYGKBCWUMV-ZDUSSCGKSA-N 0 3 237.391 3.414 20 0 BGADHN CCCC[C@H](CC)CCNCc1cc(C)ncn1 ZINC000678361051 488246596 /nfs/dbraw/zinc/24/65/96/488246596.db2.gz NGWLCSUIHWKZSN-AWEZNQCLSA-N 0 3 249.402 3.481 20 0 BGADHN CCCC[C@@H](CC)CCNCc1cc(C)ncn1 ZINC000678361052 488246652 /nfs/dbraw/zinc/24/66/52/488246652.db2.gz NGWLCSUIHWKZSN-CQSZACIVSA-N 0 3 249.402 3.481 20 0 BGADHN Cc1ccc([C@@H](C)NCCc2ccco2)c(C)n1 ZINC000678412312 488252792 /nfs/dbraw/zinc/25/27/92/488252792.db2.gz TZHNUOJSJOLSEB-GFCCVEGCSA-N 0 3 244.338 3.185 20 0 BGADHN Cc1ccc([C@H](C)NCCc2ccco2)c(C)n1 ZINC000678412313 488252916 /nfs/dbraw/zinc/25/29/16/488252916.db2.gz TZHNUOJSJOLSEB-LBPRGKRZSA-N 0 3 244.338 3.185 20 0 BGADHN Cc1ccc([C@@H](C)NCCC(F)(F)F)c(C)n1 ZINC000678427038 488255254 /nfs/dbraw/zinc/25/52/54/488255254.db2.gz ICEXMRRCMASMMU-SECBINFHSA-N 0 3 246.276 3.301 20 0 BGADHN Cc1ccc([C@H](C)NCCC(F)(F)F)c(C)n1 ZINC000678427039 488255284 /nfs/dbraw/zinc/25/52/84/488255284.db2.gz ICEXMRRCMASMMU-VIFPVBQESA-N 0 3 246.276 3.301 20 0 BGADHN CCCC1CCC(CNCc2cocn2)CC1 ZINC000678496361 488262293 /nfs/dbraw/zinc/26/22/93/488262293.db2.gz APCAQMGTKFWRBZ-UHFFFAOYSA-N 0 3 236.359 3.371 20 0 BGADHN CCOc1ccc(CN2[C@H](CC)CC[C@@H]2C)nc1 ZINC000678535115 488264703 /nfs/dbraw/zinc/26/47/03/488264703.db2.gz PJGJWANJNODDTP-GXTWGEPZSA-N 0 3 248.370 3.243 20 0 BGADHN CCOc1ccc(CN2[C@@H](C)CC[C@@H]2CC)nc1 ZINC000678535116 488265107 /nfs/dbraw/zinc/26/51/07/488265107.db2.gz PJGJWANJNODDTP-JSGCOSHPSA-N 0 3 248.370 3.243 20 0 BGADHN CCOc1ccc(CN2[C@H](C)CC[C@@H]2CC)nc1 ZINC000678535117 488264824 /nfs/dbraw/zinc/26/48/24/488264824.db2.gz PJGJWANJNODDTP-OCCSQVGLSA-N 0 3 248.370 3.243 20 0 BGADHN CCOc1ccc(CN2[C@H](C)CC[C@H]2CC)nc1 ZINC000678535118 488265100 /nfs/dbraw/zinc/26/51/00/488265100.db2.gz PJGJWANJNODDTP-TZMCWYRMSA-N 0 3 248.370 3.243 20 0 BGADHN CC[C@H]1CC[C@@H](C)N1Cc1noc2c1CCCC2 ZINC000678535168 488265136 /nfs/dbraw/zinc/26/51/36/488265136.db2.gz QQUYQDRBUYQKDP-NEPJUHHUSA-N 0 3 248.370 3.316 20 0 BGADHN CC[C@@H]1CC[C@H](C)N1Cc1noc2c1CCCC2 ZINC000678535369 488264197 /nfs/dbraw/zinc/26/41/97/488264197.db2.gz QQUYQDRBUYQKDP-NWDGAFQWSA-N 0 3 248.370 3.316 20 0 BGADHN CC[C@H]1CC[C@H](C)N1Cc1noc2c1CCCC2 ZINC000678535370 488264316 /nfs/dbraw/zinc/26/43/16/488264316.db2.gz QQUYQDRBUYQKDP-RYUDHWBXSA-N 0 3 248.370 3.316 20 0 BGADHN CC[C@@H]1CC[C@@H](C)N1Cc1noc2c1CCCC2 ZINC000678535371 488264119 /nfs/dbraw/zinc/26/41/19/488264119.db2.gz QQUYQDRBUYQKDP-VXGBXAGGSA-N 0 3 248.370 3.316 20 0 BGADHN CCC1(O)CCC(N[C@@H](C)c2ccco2)CC1 ZINC000678546775 488265928 /nfs/dbraw/zinc/26/59/28/488265928.db2.gz LLKPZATWAFENOM-DCBWTQNWSA-N 0 3 237.343 3.014 20 0 BGADHN CCC1(O)CCC(N[C@H](C)c2ccco2)CC1 ZINC000678546776 488266346 /nfs/dbraw/zinc/26/63/46/488266346.db2.gz LLKPZATWAFENOM-LKSINWNRSA-N 0 3 237.343 3.014 20 0 BGADHN CCC1(O)CCC(N[C@H](C)c2ccoc2)CC1 ZINC000678547466 488266351 /nfs/dbraw/zinc/26/63/51/488266351.db2.gz FYIMXWFNHKFGIR-LMWSTFAQSA-N 0 3 237.343 3.014 20 0 BGADHN CCC1(O)CCC(N[C@@H](C)c2ccoc2)CC1 ZINC000678547468 488266062 /nfs/dbraw/zinc/26/60/62/488266062.db2.gz FYIMXWFNHKFGIR-XGNXJENSSA-N 0 3 237.343 3.014 20 0 BGADHN CCC1(C)CCC(NCc2cc(C)ncn2)CC1 ZINC000678604209 488271164 /nfs/dbraw/zinc/27/11/64/488271164.db2.gz AMHBDCCPRGAUTJ-UHFFFAOYSA-N 0 3 247.386 3.234 20 0 BGADHN Cc1cc(CN[C@H](C)CCC2CCCC2)ncn1 ZINC000678604230 488270931 /nfs/dbraw/zinc/27/09/31/488270931.db2.gz AZJQHKKKJFHUDO-GFCCVEGCSA-N 0 3 247.386 3.234 20 0 BGADHN Cc1cc(CN[C@@H](C)CCC2CCCC2)ncn1 ZINC000678604231 488270939 /nfs/dbraw/zinc/27/09/39/488270939.db2.gz AZJQHKKKJFHUDO-LBPRGKRZSA-N 0 3 247.386 3.234 20 0 BGADHN CCC[C@@H](C)[C@@H](CC)NCc1cc(C)ncn1 ZINC000678604391 488271192 /nfs/dbraw/zinc/27/11/92/488271192.db2.gz DAPLDXOSTFEYHZ-BXUZGUMPSA-N 0 3 235.375 3.089 20 0 BGADHN CCC[C@H](C)[C@H](CC)NCc1cc(C)ncn1 ZINC000678604397 488270853 /nfs/dbraw/zinc/27/08/53/488270853.db2.gz DAPLDXOSTFEYHZ-FZMZJTMJSA-N 0 3 235.375 3.089 20 0 BGADHN CCC[C@@H](C)[C@H](CC)NCc1cc(C)ncn1 ZINC000678604399 488270824 /nfs/dbraw/zinc/27/08/24/488270824.db2.gz DAPLDXOSTFEYHZ-RISCZKNCSA-N 0 3 235.375 3.089 20 0 BGADHN CCC[C@H](C)[C@@H](CC)NCc1cc(C)ncn1 ZINC000678604400 488271083 /nfs/dbraw/zinc/27/10/83/488271083.db2.gz DAPLDXOSTFEYHZ-SMDDNHRTSA-N 0 3 235.375 3.089 20 0 BGADHN CC[C@@H]1C[C@H](C)CC[C@@H]1NCc1cc(C)ncn1 ZINC000678604412 488271185 /nfs/dbraw/zinc/27/11/85/488271185.db2.gz DLFKYUOSUUSIHY-KYOSRNDESA-N 0 3 247.386 3.089 20 0 BGADHN CC[C@@H]1C[C@@H](C)CC[C@@H]1NCc1cc(C)ncn1 ZINC000678604413 488270890 /nfs/dbraw/zinc/27/08/90/488270890.db2.gz DLFKYUOSUUSIHY-LNSITVRQSA-N 0 3 247.386 3.089 20 0 BGADHN CC[C@@H]1C[C@@H](C)CC[C@H]1NCc1cc(C)ncn1 ZINC000678604414 488271157 /nfs/dbraw/zinc/27/11/57/488271157.db2.gz DLFKYUOSUUSIHY-NJZAAPMLSA-N 0 3 247.386 3.089 20 0 BGADHN CC[C@@H]1C[C@H](C)CC[C@H]1NCc1cc(C)ncn1 ZINC000678604415 488271130 /nfs/dbraw/zinc/27/11/30/488271130.db2.gz DLFKYUOSUUSIHY-UXIGCNINSA-N 0 3 247.386 3.089 20 0 BGADHN CC[C@H](C)C[C@H](CC)NCc1cc(C)ncn1 ZINC000678604876 488271033 /nfs/dbraw/zinc/27/10/33/488271033.db2.gz MXWZQQAENLZTIZ-AAEUAGOBSA-N 0 3 235.375 3.089 20 0 BGADHN CC[C@@H](C)C[C@@H](CC)NCc1cc(C)ncn1 ZINC000678604877 488271010 /nfs/dbraw/zinc/27/10/10/488271010.db2.gz MXWZQQAENLZTIZ-DGCLKSJQSA-N 0 3 235.375 3.089 20 0 BGADHN CC[C@H](C[C@@H](C)CC)NCc1cc(C)ncn1 ZINC000678604878 488271110 /nfs/dbraw/zinc/27/11/10/488271110.db2.gz MXWZQQAENLZTIZ-WCQYABFASA-N 0 3 235.375 3.089 20 0 BGADHN CC[C@@H](C)C[C@H](CC)NCc1cc(C)ncn1 ZINC000678604879 488271056 /nfs/dbraw/zinc/27/10/56/488271056.db2.gz MXWZQQAENLZTIZ-YPMHNXCESA-N 0 3 235.375 3.089 20 0 BGADHN CC(C)=CCC[C@@H](C)NCc1cc(C)ncn1 ZINC000678605897 488271559 /nfs/dbraw/zinc/27/15/59/488271559.db2.gz VAESGKWXULFABF-GFCCVEGCSA-N 0 3 233.359 3.010 20 0 BGADHN CC(C)=CCC[C@H](C)NCc1cc(C)ncn1 ZINC000678605898 488271608 /nfs/dbraw/zinc/27/16/08/488271608.db2.gz VAESGKWXULFABF-LBPRGKRZSA-N 0 3 233.359 3.010 20 0 BGADHN Cc1cc(CNC(CC(C)C)CC(C)C)ncn1 ZINC000678605905 488271513 /nfs/dbraw/zinc/27/15/13/488271513.db2.gz VEPUYYKHAACRQX-UHFFFAOYSA-N 0 3 249.402 3.335 20 0 BGADHN Cc1cc(CN[C@H](C)CCCC(C)C)ncn1 ZINC000678606485 487625022 /nfs/dbraw/zinc/62/50/22/487625022.db2.gz YUIFCPMAPPSXIW-GFCCVEGCSA-N 0 3 235.375 3.089 20 0 BGADHN Cc1cc(CN[C@@H](C)CCCC(C)C)ncn1 ZINC000678606486 487624765 /nfs/dbraw/zinc/62/47/65/487624765.db2.gz YUIFCPMAPPSXIW-LBPRGKRZSA-N 0 3 235.375 3.089 20 0 BGADHN CC[C@@H](NCc1nc2c(cccc2C)[nH]1)C1CC1 ZINC000678611343 488272660 /nfs/dbraw/zinc/27/26/60/488272660.db2.gz WRRIOXDQWICMSQ-GFCCVEGCSA-N 0 3 243.354 3.150 20 0 BGADHN CC[C@H](NCc1nc2c(cccc2C)[nH]1)C1CC1 ZINC000678611344 487630572 /nfs/dbraw/zinc/63/05/72/487630572.db2.gz WRRIOXDQWICMSQ-LBPRGKRZSA-N 0 3 243.354 3.150 20 0 BGADHN Cc1occc1CNCc1c(C)cccc1C ZINC000678622014 488272983 /nfs/dbraw/zinc/27/29/83/488272983.db2.gz MQBQTNFVMPOKGO-UHFFFAOYSA-N 0 3 229.323 3.495 20 0 BGADHN C/C=C\CN[C@@H](C)c1cc(OC)c(OC)cc1C ZINC000678741279 488280213 /nfs/dbraw/zinc/28/02/13/488280213.db2.gz ADCCHJIZNXWXAI-DGMVEKRQSA-N 0 3 249.354 3.239 20 0 BGADHN C/C=C/CN[C@H](C)c1cc(OC)c(OC)cc1C ZINC000678741280 488280129 /nfs/dbraw/zinc/28/01/29/488280129.db2.gz ADCCHJIZNXWXAI-NNNHXZLVSA-N 0 3 249.354 3.239 20 0 BGADHN C/C=C/CN[C@@H](C)c1cc(OC)c(OC)cc1C ZINC000678741281 488280406 /nfs/dbraw/zinc/28/04/06/488280406.db2.gz ADCCHJIZNXWXAI-SYTKJHMZSA-N 0 3 249.354 3.239 20 0 BGADHN C/C=C\CN[C@H](C)c1cc(OC)c(OC)cc1C ZINC000678741282 488280088 /nfs/dbraw/zinc/28/00/88/488280088.db2.gz ADCCHJIZNXWXAI-ZHRWSRJISA-N 0 3 249.354 3.239 20 0 BGADHN C/C=C\CN[C@@H](CC)c1ccc2c(c1)OCCO2 ZINC000678757167 488280881 /nfs/dbraw/zinc/28/08/81/488280881.db2.gz XZMFCPHILDILEZ-DXTPNHAXSA-N 0 3 247.338 3.075 20 0 BGADHN C/C=C\CN[C@H](CC)c1ccc2c(c1)OCCO2 ZINC000678757168 488280840 /nfs/dbraw/zinc/28/08/40/488280840.db2.gz XZMFCPHILDILEZ-HSBHDXMMSA-N 0 3 247.338 3.075 20 0 BGADHN C/C=C/CN[C@@H](CC)c1ccc2c(c1)OCCO2 ZINC000678757169 488280871 /nfs/dbraw/zinc/28/08/71/488280871.db2.gz XZMFCPHILDILEZ-LQPUYASZSA-N 0 3 247.338 3.075 20 0 BGADHN C/C=C/CN[C@H](CC)c1ccc2c(c1)OCCO2 ZINC000678757170 488280814 /nfs/dbraw/zinc/28/08/14/488280814.db2.gz XZMFCPHILDILEZ-MASHWEEQSA-N 0 3 247.338 3.075 20 0 BGADHN C[C@H](N[C@H]1C[C@@H](C)CC(C)(C)C1)c1nccn1C ZINC000678768279 488281308 /nfs/dbraw/zinc/28/13/08/488281308.db2.gz KSVIXYVMBSSCJG-AGIUHOORSA-N 0 3 249.402 3.286 20 0 BGADHN C[C@H](N[C@@H]1C[C@@H](C)CC(C)(C)C1)c1nccn1C ZINC000678768280 487638533 /nfs/dbraw/zinc/63/85/33/487638533.db2.gz KSVIXYVMBSSCJG-FRRDWIJNSA-N 0 3 249.402 3.286 20 0 BGADHN C[C@@H](N[C@@H]1C[C@@H](C)CC(C)(C)C1)c1nccn1C ZINC000678768282 487638524 /nfs/dbraw/zinc/63/85/24/487638524.db2.gz KSVIXYVMBSSCJG-JHJVBQTASA-N 0 3 249.402 3.286 20 0 BGADHN C[C@@H](N[C@H]1C[C@@H](C)CC(C)(C)C1)c1nccn1C ZINC000678768285 487638518 /nfs/dbraw/zinc/63/85/18/487638518.db2.gz KSVIXYVMBSSCJG-UPJWGTAASA-N 0 3 249.402 3.286 20 0 BGADHN CCC1(C)CCC(N[C@H](C)c2nccn2C)CC1 ZINC000678770220 488281268 /nfs/dbraw/zinc/28/12/68/488281268.db2.gz AVQCFDLSFIBCKF-DNOWBOINSA-N 0 3 249.402 3.430 20 0 BGADHN CCC1(C)CCC(N[C@@H](C)c2nccn2C)CC1 ZINC000678770223 488281326 /nfs/dbraw/zinc/28/13/26/488281326.db2.gz AVQCFDLSFIBCKF-OPFPJEHXSA-N 0 3 249.402 3.430 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@@H](C2CC2)C1)c1nccn1C ZINC000678772001 488281605 /nfs/dbraw/zinc/28/16/05/488281605.db2.gz BMUJWZXPDYRZOQ-IACUBPJLSA-N 0 3 247.386 3.040 20 0 BGADHN C[C@H](N[C@H]1CCC[C@H](C2CC2)C1)c1nccn1C ZINC000678772002 488281769 /nfs/dbraw/zinc/28/17/69/488281769.db2.gz BMUJWZXPDYRZOQ-UBHSHLNASA-N 0 3 247.386 3.040 20 0 BGADHN C[C@H](N[C@H]1CCC[C@@H](C2CC2)C1)c1nccn1C ZINC000678772003 488281744 /nfs/dbraw/zinc/28/17/44/488281744.db2.gz BMUJWZXPDYRZOQ-YUTCNCBUSA-N 0 3 247.386 3.040 20 0 BGADHN C[C@H](CCC1CCCC1)N[C@H](C)c1nccn1C ZINC000678773749 488281767 /nfs/dbraw/zinc/28/17/67/488281767.db2.gz SOCUURJZFQQHHX-CHWSQXEVSA-N 0 3 249.402 3.430 20 0 BGADHN C[C@H](CCC1CCCC1)N[C@@H](C)c1nccn1C ZINC000678773751 488281820 /nfs/dbraw/zinc/28/18/20/488281820.db2.gz SOCUURJZFQQHHX-OLZOCXBDSA-N 0 3 249.402 3.430 20 0 BGADHN C[C@@H](N[C@@H](C)CCC1CCCC1)c1nccn1C ZINC000678773752 488281751 /nfs/dbraw/zinc/28/17/51/488281751.db2.gz SOCUURJZFQQHHX-QWHCGFSZSA-N 0 3 249.402 3.430 20 0 BGADHN C[C@@H](CCC1CCCC1)N[C@@H](C)c1nccn1C ZINC000678773753 488281655 /nfs/dbraw/zinc/28/16/55/488281655.db2.gz SOCUURJZFQQHHX-STQMWFEESA-N 0 3 249.402 3.430 20 0 BGADHN C/C=C\CN[C@H](C)c1ccc(-n2cccn2)cc1 ZINC000678791296 488283868 /nfs/dbraw/zinc/28/38/68/488283868.db2.gz RYCCOCVUJMQSPA-DHCBQETCSA-N 0 3 241.338 3.099 20 0 BGADHN C/C=C/CN[C@H](C)c1ccc(-n2cccn2)cc1 ZINC000678791305 488284062 /nfs/dbraw/zinc/28/40/62/488284062.db2.gz RYCCOCVUJMQSPA-ITDFMYJTSA-N 0 3 241.338 3.099 20 0 BGADHN C/C=C/CN[C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000678791307 488283932 /nfs/dbraw/zinc/28/39/32/488283932.db2.gz RYCCOCVUJMQSPA-OOPCZODUSA-N 0 3 241.338 3.099 20 0 BGADHN C/C=C\CN[C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000678791309 488283941 /nfs/dbraw/zinc/28/39/41/488283941.db2.gz RYCCOCVUJMQSPA-SCOBNMCVSA-N 0 3 241.338 3.099 20 0 BGADHN CN(Cc1nc2c(s1)CCC2)C1CCCC1 ZINC000678811032 488286029 /nfs/dbraw/zinc/28/60/29/488286029.db2.gz BTYHWDAFZKSTHB-UHFFFAOYSA-N 0 3 236.384 3.006 20 0 BGADHN CCN(Cc1nc2c(s1)CCC2)CC(C)C ZINC000678813696 488285972 /nfs/dbraw/zinc/28/59/72/488285972.db2.gz GHTMKXLWHOUYBD-UHFFFAOYSA-N 0 3 238.400 3.110 20 0 BGADHN CC(C)[C@H](C)N(C)Cc1nc2c(s1)CCC2 ZINC000678813873 488286705 /nfs/dbraw/zinc/28/67/05/488286705.db2.gz OAKLEFWQYXIMHG-JTQLQIEISA-N 0 3 238.400 3.108 20 0 BGADHN CC(C)[C@@H](C)N(C)Cc1nc2c(s1)CCC2 ZINC000678813874 488286738 /nfs/dbraw/zinc/28/67/38/488286738.db2.gz OAKLEFWQYXIMHG-SNVBAGLBSA-N 0 3 238.400 3.108 20 0 BGADHN CCc1nn(C)cc1CN(C(CC)CC)C1CC1 ZINC000678813889 488286848 /nfs/dbraw/zinc/28/68/48/488286848.db2.gz PGPQCLKTCZGEOG-UHFFFAOYSA-N 0 3 249.402 3.136 20 0 BGADHN CCC[C@@H](C)CN1CCOc2ccccc2C1 ZINC000678817573 488287056 /nfs/dbraw/zinc/28/70/56/488287056.db2.gz HGFIVBZQYPRRAT-CYBMUJFWSA-N 0 3 233.355 3.317 20 0 BGADHN CCC[C@H](C)CN1CCOc2ccccc2C1 ZINC000678817574 488287138 /nfs/dbraw/zinc/28/71/38/488287138.db2.gz HGFIVBZQYPRRAT-ZDUSSCGKSA-N 0 3 233.355 3.317 20 0 BGADHN CC[C@H]1CCCN1Cc1nc2c(s1)CCC2 ZINC000678819618 488286973 /nfs/dbraw/zinc/28/69/73/488286973.db2.gz SKEFFQMWZSYZPV-JTQLQIEISA-N 0 3 236.384 3.006 20 0 BGADHN CC[C@@H]1CCCN1Cc1nc2c(s1)CCC2 ZINC000678819619 488287360 /nfs/dbraw/zinc/28/73/60/488287360.db2.gz SKEFFQMWZSYZPV-SNVBAGLBSA-N 0 3 236.384 3.006 20 0 BGADHN CC1(C)CCCN1Cc1nc2c(s1)CCC2 ZINC000678821700 488286982 /nfs/dbraw/zinc/28/69/82/488286982.db2.gz BKRJFVHIYQRMPA-UHFFFAOYSA-N 0 3 236.384 3.006 20 0 BGADHN C(c1nc2c(s1)CCC2)N1CCC[C@@H]1C1CC1 ZINC000678822685 488287991 /nfs/dbraw/zinc/28/79/91/488287991.db2.gz FICLDSODFYVXQX-GFCCVEGCSA-N 0 3 248.395 3.006 20 0 BGADHN C(c1nc2c(s1)CCC2)N1CCC[C@H]1C1CC1 ZINC000678822687 488287628 /nfs/dbraw/zinc/28/76/28/488287628.db2.gz FICLDSODFYVXQX-LBPRGKRZSA-N 0 3 248.395 3.006 20 0 BGADHN CCC(C)(C)N(C)Cc1nc2c(s1)CCC2 ZINC000678827899 488288458 /nfs/dbraw/zinc/28/84/58/488288458.db2.gz HVRITZDQUPSIQB-UHFFFAOYSA-N 0 3 238.400 3.252 20 0 BGADHN CCCC1CCC(CN(C)Cc2cn[nH]c2)CC1 ZINC000678830674 488288997 /nfs/dbraw/zinc/28/89/97/488288997.db2.gz SNKGOZXDFWAHRV-UHFFFAOYSA-N 0 3 249.402 3.448 20 0 BGADHN CCCN(CCC)Cc1nc2c(s1)CCC2 ZINC000678833256 488289489 /nfs/dbraw/zinc/28/94/89/488289489.db2.gz VBADIFNTAFDUAV-UHFFFAOYSA-N 0 3 238.400 3.254 20 0 BGADHN CN(Cc1ccc[nH]1)CC(C)(C)c1ccccc1 ZINC000678840185 488290253 /nfs/dbraw/zinc/29/02/53/488290253.db2.gz OSGGXBXJBCCQJJ-UHFFFAOYSA-N 0 3 242.366 3.424 20 0 BGADHN C[C@@H]1CC[C@H](C)N1Cc1nc2c(s1)CCC2 ZINC000678840858 488290317 /nfs/dbraw/zinc/29/03/17/488290317.db2.gz JLSXLWUSASXRRC-AOOOYVTPSA-N 0 3 236.384 3.005 20 0 BGADHN C[C@@H]1CC[C@@H](C)N1Cc1nc2c(s1)CCC2 ZINC000678840859 488290104 /nfs/dbraw/zinc/29/01/04/488290104.db2.gz JLSXLWUSASXRRC-NXEZZACHSA-N 0 3 236.384 3.005 20 0 BGADHN C[C@H]1CC[C@H](C)N1Cc1nc2c(s1)CCC2 ZINC000678840860 488290383 /nfs/dbraw/zinc/29/03/83/488290383.db2.gz JLSXLWUSASXRRC-UWVGGRQHSA-N 0 3 236.384 3.005 20 0 BGADHN CC(C)[C@@H]1CCN1Cc1nccc2ccccc21 ZINC000678852003 488290619 /nfs/dbraw/zinc/29/06/19/488290619.db2.gz UXEVHVQLAVZFDW-INIZCTEOSA-N 0 3 240.350 3.465 20 0 BGADHN CC(C)[C@H]1CCN1Cc1nccc2ccccc21 ZINC000678852004 488290748 /nfs/dbraw/zinc/29/07/48/488290748.db2.gz UXEVHVQLAVZFDW-MRXNPFEDSA-N 0 3 240.350 3.465 20 0 BGADHN CC[C@@H](NCc1ncc(C)o1)C1CCCCC1 ZINC000678894794 488294347 /nfs/dbraw/zinc/29/43/47/488294347.db2.gz IQLUXDDDDITSTR-CYBMUJFWSA-N 0 3 236.359 3.432 20 0 BGADHN CC[C@H](NCc1ncc(C)o1)C1CCCCC1 ZINC000678894796 488294661 /nfs/dbraw/zinc/29/46/61/488294661.db2.gz IQLUXDDDDITSTR-ZDUSSCGKSA-N 0 3 236.359 3.432 20 0 BGADHN CC[C@H](NCc1ncc(C)cn1)C1CCCCC1 ZINC000678895034 488294482 /nfs/dbraw/zinc/29/44/82/488294482.db2.gz KIFOWDFLTWJGAJ-AWEZNQCLSA-N 0 3 247.386 3.234 20 0 BGADHN CC[C@@H](NCc1ncc(C)cn1)C1CCCCC1 ZINC000678895035 488294525 /nfs/dbraw/zinc/29/45/25/488294525.db2.gz KIFOWDFLTWJGAJ-CQSZACIVSA-N 0 3 247.386 3.234 20 0 BGADHN CC[C@H](NCc1cc(C)n(C)n1)C1CCCCC1 ZINC000678896177 488294555 /nfs/dbraw/zinc/29/45/55/488294555.db2.gz ZQCSQTJBZUOHAI-HNNXBMFYSA-N 0 3 249.402 3.177 20 0 BGADHN CC[C@@H](NCc1cc(C)n(C)n1)C1CCCCC1 ZINC000678896178 488294340 /nfs/dbraw/zinc/29/43/40/488294340.db2.gz ZQCSQTJBZUOHAI-OAHLLOKOSA-N 0 3 249.402 3.177 20 0 BGADHN CC(C)C(NCc1ncc(C2CC2)o1)C(C)C ZINC000678900452 488295138 /nfs/dbraw/zinc/29/51/38/488295138.db2.gz MZWJWKFKJDONCA-UHFFFAOYSA-N 0 3 236.359 3.322 20 0 BGADHN CC(C)C(NCc1nccn1C(C)C)C(C)C ZINC000678900834 488295006 /nfs/dbraw/zinc/29/50/06/488295006.db2.gz AWGAABKBTJSXLN-UHFFFAOYSA-N 0 3 237.391 3.234 20 0 BGADHN CC(C)C(NCc1ccn(C(C)C)n1)C(C)C ZINC000678902130 488294875 /nfs/dbraw/zinc/29/48/75/488294875.db2.gz VIXQIRZZFKJTIK-UHFFFAOYSA-N 0 3 237.391 3.234 20 0 BGADHN CCC(C)(C)NCc1ncccc1C(F)(F)F ZINC000678922128 488295424 /nfs/dbraw/zinc/29/54/24/488295424.db2.gz KISDXTBOAOGIDG-UHFFFAOYSA-N 0 3 246.276 3.379 20 0 BGADHN CCC[C@@H](CNCc1cocn1)c1ccccc1 ZINC000678931082 488295895 /nfs/dbraw/zinc/29/58/95/488295895.db2.gz CPTJUUSLVQVTHX-AWEZNQCLSA-N 0 3 244.338 3.348 20 0 BGADHN CCC[C@H](CNCc1cocn1)c1ccccc1 ZINC000678931084 488296133 /nfs/dbraw/zinc/29/61/33/488296133.db2.gz CPTJUUSLVQVTHX-CQSZACIVSA-N 0 3 244.338 3.348 20 0 BGADHN Cc1ccc([C@H](C)CNCc2nccs2)cc1 ZINC000678933431 488296313 /nfs/dbraw/zinc/29/63/13/488296313.db2.gz JJQKDRXGTDTRLQ-GFCCVEGCSA-N 0 3 246.379 3.345 20 0 BGADHN Cc1ccc([C@@H](C)CNCc2nccs2)cc1 ZINC000678933433 488296274 /nfs/dbraw/zinc/29/62/74/488296274.db2.gz JJQKDRXGTDTRLQ-LBPRGKRZSA-N 0 3 246.379 3.345 20 0 BGADHN Cc1nn(C(C)(C)C)c(C)c1CNC1CC=CC1 ZINC000678936375 488296495 /nfs/dbraw/zinc/29/64/95/488296495.db2.gz AVLRGGFPVKSTMI-UHFFFAOYSA-N 0 3 247.386 3.063 20 0 BGADHN C(NC1(C2CC2)CC1)c1nc2c(s1)CCCC2 ZINC000678955766 488298706 /nfs/dbraw/zinc/29/87/06/488298706.db2.gz JURAQZGMUJCYBM-UHFFFAOYSA-N 0 3 248.395 3.054 20 0 BGADHN CC1(C)C[C@H]1N[C@@H]1CCc2c1cc(F)cc2F ZINC000679008427 488302753 /nfs/dbraw/zinc/30/27/53/488302753.db2.gz JBVNFALMBWZSCL-CHWSQXEVSA-N 0 3 237.293 3.340 20 0 BGADHN CC1(C)C[C@@H]1N[C@@H]1CCc2c1cc(F)cc2F ZINC000679008429 488302642 /nfs/dbraw/zinc/30/26/42/488302642.db2.gz JBVNFALMBWZSCL-OLZOCXBDSA-N 0 3 237.293 3.340 20 0 BGADHN CC1(C)C[C@H]1N[C@H]1CCc2c1cc(F)cc2F ZINC000679008431 488302772 /nfs/dbraw/zinc/30/27/72/488302772.db2.gz JBVNFALMBWZSCL-QWHCGFSZSA-N 0 3 237.293 3.340 20 0 BGADHN CC1(C)C[C@@H]1N[C@H]1CCc2c1cc(F)cc2F ZINC000679008432 488302887 /nfs/dbraw/zinc/30/28/87/488302887.db2.gz JBVNFALMBWZSCL-STQMWFEESA-N 0 3 237.293 3.340 20 0 BGADHN Cc1cccc2c1CC[C@@H]2NCCOC(C)(C)C ZINC000679013761 488302814 /nfs/dbraw/zinc/30/28/14/488302814.db2.gz RIOHXHFXOIACSN-HNNXBMFYSA-N 0 3 247.382 3.387 20 0 BGADHN Cc1cccc2c1CC[C@H]2NCCOC(C)(C)C ZINC000679013762 488302717 /nfs/dbraw/zinc/30/27/17/488302717.db2.gz RIOHXHFXOIACSN-OAHLLOKOSA-N 0 3 247.382 3.387 20 0 BGADHN CC[C@@H](Cc1ccc(C)cc1)NCc1cocn1 ZINC000679047424 488304774 /nfs/dbraw/zinc/30/47/74/488304774.db2.gz GAACMGGVRXEWCD-AWEZNQCLSA-N 0 3 244.338 3.094 20 0 BGADHN CC[C@H](Cc1ccc(C)cc1)NCc1cocn1 ZINC000679047425 488304832 /nfs/dbraw/zinc/30/48/32/488304832.db2.gz GAACMGGVRXEWCD-CQSZACIVSA-N 0 3 244.338 3.094 20 0 BGADHN CCc1ccc([C@@H](C)NCCOC2CCC2)cc1 ZINC000679067709 488305749 /nfs/dbraw/zinc/30/57/49/488305749.db2.gz UAVATQZZJMNLJJ-CYBMUJFWSA-N 0 3 247.382 3.469 20 0 BGADHN CCc1ccc([C@H](C)NCCOC2CCC2)cc1 ZINC000679067710 488305378 /nfs/dbraw/zinc/30/53/78/488305378.db2.gz UAVATQZZJMNLJJ-ZDUSSCGKSA-N 0 3 247.382 3.469 20 0 BGADHN Cc1ccncc1[C@@H](C)N[C@@H]1CCC(F)(F)C1 ZINC000679071573 488306080 /nfs/dbraw/zinc/30/60/80/488306080.db2.gz JEUAUYDAYLEQES-GHMZBOCLSA-N 0 3 240.297 3.228 20 0 BGADHN Cc1ccncc1[C@@H](C)N[C@H]1CCC(F)(F)C1 ZINC000679071575 488306086 /nfs/dbraw/zinc/30/60/86/488306086.db2.gz JEUAUYDAYLEQES-MNOVXSKESA-N 0 3 240.297 3.228 20 0 BGADHN Cc1ccncc1[C@H](C)N[C@H]1CCC(F)(F)C1 ZINC000679071577 488305951 /nfs/dbraw/zinc/30/59/51/488305951.db2.gz JEUAUYDAYLEQES-QWRGUYRKSA-N 0 3 240.297 3.228 20 0 BGADHN Cc1ccncc1[C@H](C)N[C@@H]1CCC(F)(F)C1 ZINC000679071578 488306330 /nfs/dbraw/zinc/30/63/30/488306330.db2.gz JEUAUYDAYLEQES-WDEREUQCSA-N 0 3 240.297 3.228 20 0 BGADHN CN1CCC(Nc2ccc(C3CC3)cc2)CC1 ZINC000679089018 488307649 /nfs/dbraw/zinc/30/76/49/488307649.db2.gz FMDORBWFWXDIIZ-UHFFFAOYSA-N 0 3 230.355 3.070 20 0 BGADHN Cc1cc(CNC[C@@H]2CCCC(C)(C)C2)on1 ZINC000679115940 488309907 /nfs/dbraw/zinc/30/99/07/488309907.db2.gz VTPLNCSICNVVHB-GFCCVEGCSA-N 0 3 236.359 3.289 20 0 BGADHN Cc1cc(CNC[C@H]2CCCC(C)(C)C2)on1 ZINC000679115943 488310066 /nfs/dbraw/zinc/31/00/66/488310066.db2.gz VTPLNCSICNVVHB-LBPRGKRZSA-N 0 3 236.359 3.289 20 0 BGADHN C[C@H]1CCN(c2ccnc3ccccc32)C[C@@H]1F ZINC000679192404 488315871 /nfs/dbraw/zinc/31/58/71/488315871.db2.gz LWHGEDZFITYUFA-AAEUAGOBSA-N 0 3 244.313 3.419 20 0 BGADHN C[C@@H]1CCN(c2ccnc3ccccc32)C[C@H]1F ZINC000679192405 488315937 /nfs/dbraw/zinc/31/59/37/488315937.db2.gz LWHGEDZFITYUFA-DGCLKSJQSA-N 0 3 244.313 3.419 20 0 BGADHN C[C@H]1CCN(c2ccnc3ccccc32)C[C@H]1F ZINC000679192406 488315997 /nfs/dbraw/zinc/31/59/97/488315997.db2.gz LWHGEDZFITYUFA-WCQYABFASA-N 0 3 244.313 3.419 20 0 BGADHN C[C@@H]1CCN(c2ccnc3ccccc32)C[C@@H]1F ZINC000679192407 488315902 /nfs/dbraw/zinc/31/59/02/488315902.db2.gz LWHGEDZFITYUFA-YPMHNXCESA-N 0 3 244.313 3.419 20 0 BGADHN CC(C)CCN(C)Cc1ccc(Cl)cn1 ZINC000679212731 488317028 /nfs/dbraw/zinc/31/70/28/488317028.db2.gz JIZCZLKVGQHAJH-UHFFFAOYSA-N 0 3 226.751 3.213 20 0 BGADHN C[C@H](c1ccccc1)N1CC[C@@H](C)[C@@H](F)C1 ZINC000679218621 487782696 /nfs/dbraw/zinc/78/26/96/487782696.db2.gz BNTFGPCPXUMDTO-BZPMIXESSA-N 0 3 221.319 3.428 20 0 BGADHN C[C@@H](c1ccccc1)N1CC[C@@H](C)[C@@H](F)C1 ZINC000679218627 487782548 /nfs/dbraw/zinc/78/25/48/487782548.db2.gz BNTFGPCPXUMDTO-DYEKYZERSA-N 0 3 221.319 3.428 20 0 BGADHN C[C@@H](c1ccccc1)N1CC[C@@H](C)[C@H](F)C1 ZINC000679218628 487782802 /nfs/dbraw/zinc/78/28/02/487782802.db2.gz BNTFGPCPXUMDTO-MBNYWOFBSA-N 0 3 221.319 3.428 20 0 BGADHN C[C@H](c1ccccc1)N1CC[C@@H](C)[C@H](F)C1 ZINC000679218630 487782637 /nfs/dbraw/zinc/78/26/37/487782637.db2.gz BNTFGPCPXUMDTO-YRGRVCCFSA-N 0 3 221.319 3.428 20 0 BGADHN C[C@H]1CCN(CCC2CCCC2)C[C@@H]1F ZINC000679219000 488316237 /nfs/dbraw/zinc/31/62/37/488316237.db2.gz FMRBRPYFBQBQPQ-AAEUAGOBSA-N 0 3 213.340 3.247 20 0 BGADHN C[C@@H]1CCN(CCC2CCCC2)C[C@H]1F ZINC000679219016 488316250 /nfs/dbraw/zinc/31/62/50/488316250.db2.gz FMRBRPYFBQBQPQ-DGCLKSJQSA-N 0 3 213.340 3.247 20 0 BGADHN C[C@H]1CCN(CCC2CCCC2)C[C@H]1F ZINC000679219022 488316209 /nfs/dbraw/zinc/31/62/09/488316209.db2.gz FMRBRPYFBQBQPQ-WCQYABFASA-N 0 3 213.340 3.247 20 0 BGADHN C[C@@H]1CCN(CCC2CCCC2)C[C@@H]1F ZINC000679219023 488316325 /nfs/dbraw/zinc/31/63/25/488316325.db2.gz FMRBRPYFBQBQPQ-YPMHNXCESA-N 0 3 213.340 3.247 20 0 BGADHN C[C@H]1CCN(CCCc2ccccc2)C[C@H]1F ZINC000679219919 488318534 /nfs/dbraw/zinc/31/85/34/488318534.db2.gz GQQGWLGWLFYYOU-DZGCQCFKSA-N 0 3 235.346 3.299 20 0 BGADHN C[C@@H]1CCN(CCCc2ccccc2)C[C@@H]1F ZINC000679219920 488318830 /nfs/dbraw/zinc/31/88/30/488318830.db2.gz GQQGWLGWLFYYOU-HIFRSBDPSA-N 0 3 235.346 3.299 20 0 BGADHN C[C@@H]1CCN(CCCc2ccccc2)C[C@H]1F ZINC000679219921 488318423 /nfs/dbraw/zinc/31/84/23/488318423.db2.gz GQQGWLGWLFYYOU-UKRRQHHQSA-N 0 3 235.346 3.299 20 0 BGADHN C[C@H]1CCN(CCCc2ccccc2)C[C@@H]1F ZINC000679219922 488317399 /nfs/dbraw/zinc/31/73/99/488317399.db2.gz GQQGWLGWLFYYOU-ZFWWWQNUSA-N 0 3 235.346 3.299 20 0 BGADHN Cc1ccc(C)c(CN2CC[C@H](C)[C@H](F)C2)c1 ZINC000679220145 488318810 /nfs/dbraw/zinc/31/88/10/488318810.db2.gz FAQUWKIWVZVQPR-DZGCQCFKSA-N 0 3 235.346 3.483 20 0 BGADHN Cc1ccc(C)c(CN2CC[C@@H](C)[C@@H](F)C2)c1 ZINC000679220148 488318816 /nfs/dbraw/zinc/31/88/16/488318816.db2.gz FAQUWKIWVZVQPR-HIFRSBDPSA-N 0 3 235.346 3.483 20 0 BGADHN Cc1ccc(C)c(CN2CC[C@@H](C)[C@H](F)C2)c1 ZINC000679220150 487783321 /nfs/dbraw/zinc/78/33/21/487783321.db2.gz FAQUWKIWVZVQPR-UKRRQHHQSA-N 0 3 235.346 3.483 20 0 BGADHN Cc1ccc(C)c(CN2CC[C@H](C)[C@@H](F)C2)c1 ZINC000679220151 491078977 /nfs/dbraw/zinc/07/89/77/491078977.db2.gz FAQUWKIWVZVQPR-ZFWWWQNUSA-N 0 3 235.346 3.483 20 0 BGADHN CCCc1ccc(CN(C)C2(COC)CC2)cc1 ZINC000679220373 488319432 /nfs/dbraw/zinc/31/94/32/488319432.db2.gz ZCAJFEBIPYJBKY-UHFFFAOYSA-N 0 3 247.382 3.250 20 0 BGADHN Cc1ccc(CCN2CC[C@H](C)[C@H](F)C2)cc1 ZINC000679221078 488319412 /nfs/dbraw/zinc/31/94/12/488319412.db2.gz JLUDAKOQVRNMNX-DZGCQCFKSA-N 0 3 235.346 3.217 20 0 BGADHN Cc1ccc(CCN2CC[C@@H](C)[C@@H](F)C2)cc1 ZINC000679221080 488319071 /nfs/dbraw/zinc/31/90/71/488319071.db2.gz JLUDAKOQVRNMNX-HIFRSBDPSA-N 0 3 235.346 3.217 20 0 BGADHN Cc1ccc(CCN2CC[C@@H](C)[C@H](F)C2)cc1 ZINC000679221082 488319345 /nfs/dbraw/zinc/31/93/45/488319345.db2.gz JLUDAKOQVRNMNX-UKRRQHHQSA-N 0 3 235.346 3.217 20 0 BGADHN Cc1ccc(CCN2CC[C@H](C)[C@@H](F)C2)cc1 ZINC000679221083 488319429 /nfs/dbraw/zinc/31/94/29/488319429.db2.gz JLUDAKOQVRNMNX-ZFWWWQNUSA-N 0 3 235.346 3.217 20 0 BGADHN C[C@H](CN1CC[C@H](C)[C@@H](F)C1)c1ccccc1 ZINC000679221312 487783796 /nfs/dbraw/zinc/78/37/96/487783796.db2.gz KYPRZLMNJHKLOL-GUTXKFCHSA-N 0 3 235.346 3.470 20 0 BGADHN C[C@H](CN1CC[C@H](C)[C@H](F)C1)c1ccccc1 ZINC000679221320 487783843 /nfs/dbraw/zinc/78/38/43/487783843.db2.gz KYPRZLMNJHKLOL-GZBFAFLISA-N 0 3 235.346 3.470 20 0 BGADHN C[C@H](CN1CC[C@@H](C)[C@@H](F)C1)c1ccccc1 ZINC000679221329 487783855 /nfs/dbraw/zinc/78/38/55/487783855.db2.gz KYPRZLMNJHKLOL-NFAWXSAZSA-N 0 3 235.346 3.470 20 0 BGADHN C[C@H](CN1CC[C@@H](C)[C@H](F)C1)c1ccccc1 ZINC000679221332 487783819 /nfs/dbraw/zinc/78/38/19/487783819.db2.gz KYPRZLMNJHKLOL-UMVBOHGHSA-N 0 3 235.346 3.470 20 0 BGADHN Cc1cccc(C)c1CN1CC[C@H](C)[C@H](F)C1 ZINC000679223374 488320631 /nfs/dbraw/zinc/32/06/31/488320631.db2.gz KUQGHUKENBMTKE-DZGCQCFKSA-N 0 3 235.346 3.483 20 0 BGADHN Cc1cccc(C)c1CN1CC[C@@H](C)[C@@H](F)C1 ZINC000679223375 488320256 /nfs/dbraw/zinc/32/02/56/488320256.db2.gz KUQGHUKENBMTKE-HIFRSBDPSA-N 0 3 235.346 3.483 20 0 BGADHN Cc1cccc(C)c1CN1CC[C@@H](C)[C@H](F)C1 ZINC000679223376 488320479 /nfs/dbraw/zinc/32/04/79/488320479.db2.gz KUQGHUKENBMTKE-UKRRQHHQSA-N 0 3 235.346 3.483 20 0 BGADHN Cc1cccc(C)c1CN1CC[C@H](C)[C@@H](F)C1 ZINC000679223377 487786104 /nfs/dbraw/zinc/78/61/04/487786104.db2.gz KUQGHUKENBMTKE-ZFWWWQNUSA-N 0 3 235.346 3.483 20 0 BGADHN C[C@@H]1CCN(CCC(C)(C)C)C[C@H]1F ZINC000679225161 488321957 /nfs/dbraw/zinc/32/19/57/488321957.db2.gz PWDMFVFDQSTIHU-GHMZBOCLSA-N 0 3 201.329 3.103 20 0 BGADHN C[C@@H]1CCN(CCC(C)(C)C)C[C@@H]1F ZINC000679225162 488321728 /nfs/dbraw/zinc/32/17/28/488321728.db2.gz PWDMFVFDQSTIHU-MNOVXSKESA-N 0 3 201.329 3.103 20 0 BGADHN C[C@H]1CCN(CCC(C)(C)C)C[C@@H]1F ZINC000679225163 488321676 /nfs/dbraw/zinc/32/16/76/488321676.db2.gz PWDMFVFDQSTIHU-QWRGUYRKSA-N 0 3 201.329 3.103 20 0 BGADHN C[C@H]1CCN(CCC(C)(C)C)C[C@H]1F ZINC000679225164 488321915 /nfs/dbraw/zinc/32/19/15/488321915.db2.gz PWDMFVFDQSTIHU-WDEREUQCSA-N 0 3 201.329 3.103 20 0 BGADHN Cc1ccccc1CN1CC[C@H](C)[C@H](F)C1 ZINC000679225250 487788180 /nfs/dbraw/zinc/78/81/80/487788180.db2.gz WBHDZYXJNSBDGR-GXTWGEPZSA-N 0 3 221.319 3.175 20 0 BGADHN Cc1ccccc1CN1CC[C@H](C)[C@@H](F)C1 ZINC000679225251 487788021 /nfs/dbraw/zinc/78/80/21/487788021.db2.gz WBHDZYXJNSBDGR-JSGCOSHPSA-N 0 3 221.319 3.175 20 0 BGADHN Cc1ccccc1CN1CC[C@@H](C)[C@@H](F)C1 ZINC000679225252 487788203 /nfs/dbraw/zinc/78/82/03/487788203.db2.gz WBHDZYXJNSBDGR-OCCSQVGLSA-N 0 3 221.319 3.175 20 0 BGADHN Cc1ccccc1CN1CC[C@@H](C)[C@H](F)C1 ZINC000679225254 487788036 /nfs/dbraw/zinc/78/80/36/487788036.db2.gz WBHDZYXJNSBDGR-TZMCWYRMSA-N 0 3 221.319 3.175 20 0 BGADHN c1ccc2c(c1)nccc2N1CC=CCC1 ZINC000679279624 487860527 /nfs/dbraw/zinc/86/05/27/487860527.db2.gz FZNITJVRKGJVGE-UHFFFAOYSA-N 0 3 210.280 3.001 20 0 BGADHN Cc1cc(N2CC=CCC2)c2ccccc2n1 ZINC000679279968 488328662 /nfs/dbraw/zinc/32/86/62/488328662.db2.gz NFOMQIGLZTUQIS-UHFFFAOYSA-N 0 3 224.307 3.310 20 0 BGADHN CCOc1ccc(CN(C(C)C)C(C)C)nc1 ZINC000679320404 487899944 /nfs/dbraw/zinc/89/99/44/487899944.db2.gz AFCSJWBOPWJIJF-UHFFFAOYSA-N 0 3 236.359 3.099 20 0 BGADHN CC(C)N(Cc1ccc(Cl)cn1)C(C)C ZINC000679320420 488334969 /nfs/dbraw/zinc/33/49/69/488334969.db2.gz CPAOTJFVTZNLHK-UHFFFAOYSA-N 0 3 226.751 3.354 20 0 BGADHN CCCOc1ccc(CN2CC=CCC2)cc1 ZINC000679321527 488336080 /nfs/dbraw/zinc/33/60/80/488336080.db2.gz GVVNBBOKGMECDM-UHFFFAOYSA-N 0 3 231.339 3.237 20 0 BGADHN C[C@H](c1cccc(F)c1)N1CC=CCC1 ZINC000679321672 488335738 /nfs/dbraw/zinc/33/57/38/488335738.db2.gz JDZLYWXWUCCWGI-LLVKDONJSA-N 0 3 205.276 3.149 20 0 BGADHN C[C@@H](c1cccc(F)c1)N1CC=CCC1 ZINC000679321673 488335811 /nfs/dbraw/zinc/33/58/11/488335811.db2.gz JDZLYWXWUCCWGI-NSHDSACASA-N 0 3 205.276 3.149 20 0 BGADHN FC(F)Oc1cccc(CN2CC=CCC2)c1 ZINC000679321814 488335705 /nfs/dbraw/zinc/33/57/05/488335705.db2.gz MRATYWZMISZXMV-UHFFFAOYSA-N 0 3 239.265 3.050 20 0 BGADHN CSc1ccc(OCCN2CC=CCC2)cc1 ZINC000679321986 490111392 /nfs/dbraw/zinc/11/13/92/490111392.db2.gz QQZIYIAEVUUVCB-UHFFFAOYSA-N 0 3 249.379 3.049 20 0 BGADHN Fc1ccc(SCCN2CC=CCC2)cc1 ZINC000679322012 490111424 /nfs/dbraw/zinc/11/14/24/490111424.db2.gz RMAGMJXCDKSMPY-UHFFFAOYSA-N 0 3 237.343 3.180 20 0 BGADHN CCCc1ccc(CN2CC=CCC2)cc1 ZINC000679322067 490112704 /nfs/dbraw/zinc/11/27/04/490112704.db2.gz UFTBEHKIIIMEJQ-UHFFFAOYSA-N 0 3 215.340 3.401 20 0 BGADHN C[C@H](c1ccc(F)cc1)N1CC=CCC1 ZINC000679322209 490112581 /nfs/dbraw/zinc/11/25/81/490112581.db2.gz VSDDVKYUJOWSRH-LLVKDONJSA-N 0 3 205.276 3.149 20 0 BGADHN C[C@@H](c1ccc(F)cc1)N1CC=CCC1 ZINC000679322210 490112542 /nfs/dbraw/zinc/11/25/42/490112542.db2.gz VSDDVKYUJOWSRH-NSHDSACASA-N 0 3 205.276 3.149 20 0 BGADHN Cc1cccc(C)c1OCCCN1CC=CCC1 ZINC000679322254 487901285 /nfs/dbraw/zinc/90/12/85/487901285.db2.gz XSGSUFVVPCWHRZ-UHFFFAOYSA-N 0 3 245.366 3.334 20 0 BGADHN Cc1cc(C)cc(OCCCN2CC=CCC2)c1 ZINC000679322591 488336454 /nfs/dbraw/zinc/33/64/54/488336454.db2.gz CMVKIPRPGANFSO-UHFFFAOYSA-N 0 3 245.366 3.334 20 0 BGADHN CC(C)Oc1ccc(CN2CC=CCC2)cc1 ZINC000679322712 487902719 /nfs/dbraw/zinc/90/27/19/487902719.db2.gz MLUOJOGWWDKZME-UHFFFAOYSA-N 0 3 231.339 3.236 20 0 BGADHN Fc1cccc(CCCN2CC=CCC2)c1 ZINC000679322829 488336473 /nfs/dbraw/zinc/33/64/73/488336473.db2.gz OPWQQFWPVXFAAW-UHFFFAOYSA-N 0 3 219.303 3.020 20 0 BGADHN Fc1ccc2c(c1)[C@@H](N1CC=CCC1)CC2 ZINC000679322880 488336636 /nfs/dbraw/zinc/33/66/36/488336636.db2.gz FEKYSAREEIBRQK-AWEZNQCLSA-N 0 3 217.287 3.075 20 0 BGADHN Fc1ccc2c(c1)[C@H](N1CC=CCC1)CC2 ZINC000679322882 488336366 /nfs/dbraw/zinc/33/63/66/488336366.db2.gz FEKYSAREEIBRQK-CQSZACIVSA-N 0 3 217.287 3.075 20 0 BGADHN Cc1ccc(C)c(OCCCN2CC=CCC2)c1 ZINC000679322928 488336587 /nfs/dbraw/zinc/33/65/87/488336587.db2.gz DMWUCLJMVLNSPB-UHFFFAOYSA-N 0 3 245.366 3.334 20 0 BGADHN FC(F)(F)c1ccc(CN2CC=CCC2)cc1 ZINC000679323002 488336653 /nfs/dbraw/zinc/33/66/53/488336653.db2.gz QEEYCJWVAPMGEE-UHFFFAOYSA-N 0 3 241.256 3.467 20 0 BGADHN c1c2ccccc2oc1CN1CC=CCC1 ZINC000679323050 488336757 /nfs/dbraw/zinc/33/67/57/488336757.db2.gz SHTHECLEHXJJHF-UHFFFAOYSA-N 0 3 213.280 3.195 20 0 BGADHN Cc1cc(C)cc(CN2CC=CCC2)c1 ZINC000679323109 488336690 /nfs/dbraw/zinc/33/66/90/488336690.db2.gz IOFAFTXMHCUIMO-UHFFFAOYSA-N 0 3 201.313 3.065 20 0 BGADHN CC(C)Oc1cccc(CN2CC=CCC2)c1 ZINC000679323457 488337212 /nfs/dbraw/zinc/33/72/12/488337212.db2.gz PKAWKEVPKAPKHZ-UHFFFAOYSA-N 0 3 231.339 3.236 20 0 BGADHN Cc1cc(CN2CC=CCC2)c2ccccc2n1 ZINC000679323462 488337146 /nfs/dbraw/zinc/33/71/46/488337146.db2.gz PNDQOKIDFAKESM-UHFFFAOYSA-N 0 3 238.334 3.305 20 0 BGADHN Cc1cc(CN2CC=CCC2)c(C)s1 ZINC000679323585 488337004 /nfs/dbraw/zinc/33/70/04/488337004.db2.gz DQGICTBGXVBPQI-UHFFFAOYSA-N 0 3 207.342 3.127 20 0 BGADHN c1ccc(SCCN2CC=CCC2)cc1 ZINC000679323820 488337967 /nfs/dbraw/zinc/33/79/67/488337967.db2.gz LYYQEHCLWNKQEL-UHFFFAOYSA-N 0 3 219.353 3.041 20 0 BGADHN Cc1ccccc1OCCCN1CC=CCC1 ZINC000679323890 488337984 /nfs/dbraw/zinc/33/79/84/488337984.db2.gz KDMUEUPWROHWKV-UHFFFAOYSA-N 0 3 231.339 3.026 20 0 BGADHN CCc1ccc(CN2CC=CCC2)cc1 ZINC000679323896 488337686 /nfs/dbraw/zinc/33/76/86/488337686.db2.gz KLKGYLUFMJGKMC-UHFFFAOYSA-N 0 3 201.313 3.011 20 0 BGADHN COc1cccc([C@@H](C)N2CC=CCC2)c1 ZINC000679323971 488337811 /nfs/dbraw/zinc/33/78/11/488337811.db2.gz XANMIKYKSUZTEP-GFCCVEGCSA-N 0 3 217.312 3.018 20 0 BGADHN COc1cccc([C@H](C)N2CC=CCC2)c1 ZINC000679323972 487904517 /nfs/dbraw/zinc/90/45/17/487904517.db2.gz XANMIKYKSUZTEP-LBPRGKRZSA-N 0 3 217.312 3.018 20 0 BGADHN FC(F)Oc1ccc(CN2CC=CCC2)cc1 ZINC000679323993 488337611 /nfs/dbraw/zinc/33/76/11/488337611.db2.gz YCWBMKAEOJRFPS-UHFFFAOYSA-N 0 3 239.265 3.050 20 0 BGADHN Fc1ccc2c(c1)[C@@H](N1CC=CCC1)CCC2 ZINC000679324627 488338322 /nfs/dbraw/zinc/33/83/22/488338322.db2.gz ZARSJQSDNJWHIB-HNNXBMFYSA-N 0 3 231.314 3.465 20 0 BGADHN Fc1ccc2c(c1)[C@H](N1CC=CCC1)CCC2 ZINC000679324628 487906469 /nfs/dbraw/zinc/90/64/69/487906469.db2.gz ZARSJQSDNJWHIB-OAHLLOKOSA-N 0 3 231.314 3.465 20 0 BGADHN Cc1occc1CNC1CC(OC(C)(C)C)C1 ZINC000679335350 488341300 /nfs/dbraw/zinc/34/13/00/488341300.db2.gz LIOWASQITXULCM-UHFFFAOYSA-N 0 3 237.343 3.024 20 0 BGADHN Cc1n[nH]cc1[C@H](C)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000679356368 488344089 /nfs/dbraw/zinc/34/40/89/488344089.db2.gz VBKDZMUHMFOIEK-PSOPSSQASA-N 0 3 247.386 3.338 20 0 BGADHN Cc1n[nH]cc1[C@H](C)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000679356369 488344086 /nfs/dbraw/zinc/34/40/86/488344086.db2.gz VBKDZMUHMFOIEK-VZJVUDMVSA-N 0 3 247.386 3.338 20 0 BGADHN Cc1n[nH]cc1[C@H](C)N[C@H]1C[C@H]1C1CCCCC1 ZINC000679356370 488343844 /nfs/dbraw/zinc/34/38/44/488343844.db2.gz VBKDZMUHMFOIEK-XEGUGMAKSA-N 0 3 247.386 3.338 20 0 BGADHN Cc1n[nH]cc1[C@H](C)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000679356371 488344035 /nfs/dbraw/zinc/34/40/35/488344035.db2.gz VBKDZMUHMFOIEK-ZBINZKHDSA-N 0 3 247.386 3.338 20 0 BGADHN Cc1ccc(CN2CC=CCC2)c(C)c1 ZINC000679357320 488344042 /nfs/dbraw/zinc/34/40/42/488344042.db2.gz GPUQFTMTVKUWFO-UHFFFAOYSA-N 0 3 201.313 3.065 20 0 BGADHN Cc1cc(C)c(CN2CC=CCC2)cc1C ZINC000679357373 488343858 /nfs/dbraw/zinc/34/38/58/488343858.db2.gz KOSQQQIUBAWQMT-UHFFFAOYSA-N 0 3 215.340 3.374 20 0 BGADHN CCCOc1cccc(CN2CC=CCC2)c1 ZINC000679357404 488344491 /nfs/dbraw/zinc/34/44/91/488344491.db2.gz MXPQDVLTEGPMCS-UHFFFAOYSA-N 0 3 231.339 3.237 20 0 BGADHN c1ccc(C2CC2)c(CN2CC=CCC2)c1 ZINC000679357432 488344497 /nfs/dbraw/zinc/34/44/97/488344497.db2.gz PMVBWIBLQZJFII-UHFFFAOYSA-N 0 3 213.324 3.326 20 0 BGADHN c1oc2ccccc2c1CN1CC=CCC1 ZINC000679357511 488344445 /nfs/dbraw/zinc/34/44/45/488344445.db2.gz WQQMFMLGLGHFOG-UHFFFAOYSA-N 0 3 213.280 3.195 20 0 BGADHN CC(C)CCn1cccc1CN1CC=CCC1 ZINC000679357524 488344327 /nfs/dbraw/zinc/34/43/27/488344327.db2.gz YFEVRRWGYRLPOV-UHFFFAOYSA-N 0 3 232.371 3.296 20 0 BGADHN Cc1cccc(CN2CC[C@@H](C)[C@@H](F)C2)c1C ZINC000679357698 488344763 /nfs/dbraw/zinc/34/47/63/488344763.db2.gz DGKDYFIIDFOYMI-DOMZBBRYSA-N 0 3 235.346 3.483 20 0 BGADHN Cc1cccc(CN2CC[C@@H](C)[C@H](F)C2)c1C ZINC000679357699 488344679 /nfs/dbraw/zinc/34/46/79/488344679.db2.gz DGKDYFIIDFOYMI-IUODEOHRSA-N 0 3 235.346 3.483 20 0 BGADHN Cc1cccc(CN2CC[C@H](C)[C@H](F)C2)c1C ZINC000679357700 488344346 /nfs/dbraw/zinc/34/43/46/488344346.db2.gz DGKDYFIIDFOYMI-SWLSCSKDSA-N 0 3 235.346 3.483 20 0 BGADHN Cc1cccc(CN2CC[C@H](C)[C@@H](F)C2)c1C ZINC000679357701 488344672 /nfs/dbraw/zinc/34/46/72/488344672.db2.gz DGKDYFIIDFOYMI-WFASDCNBSA-N 0 3 235.346 3.483 20 0 BGADHN CCC[C@H](C)CN1CC[C@@H](C)[C@H](F)C1 ZINC000679357883 488343332 /nfs/dbraw/zinc/34/33/32/488343332.db2.gz GAHNWOYDMWPFJM-QJPTWQEYSA-N 0 3 201.329 3.103 20 0 BGADHN CCC[C@H](C)CN1CC[C@H](C)[C@H](F)C1 ZINC000679357884 488343469 /nfs/dbraw/zinc/34/34/69/488343469.db2.gz GAHNWOYDMWPFJM-SDDRHHMPSA-N 0 3 201.329 3.103 20 0 BGADHN CCC[C@H](C)CN1CC[C@H](C)[C@@H](F)C1 ZINC000679357885 488343281 /nfs/dbraw/zinc/34/32/81/488343281.db2.gz GAHNWOYDMWPFJM-SRVKXCTJSA-N 0 3 201.329 3.103 20 0 BGADHN CCC[C@H](C)CN1CC[C@@H](C)[C@@H](F)C1 ZINC000679357886 488343373 /nfs/dbraw/zinc/34/33/73/488343373.db2.gz GAHNWOYDMWPFJM-TUAOUCFPSA-N 0 3 201.329 3.103 20 0 BGADHN C[C@@H]1CCN(Cc2cccc3[nH]ccc32)C[C@H]1F ZINC000679358040 487935535 /nfs/dbraw/zinc/93/55/35/487935535.db2.gz FGSIMEJJCMOJFM-BXUZGUMPSA-N 0 3 246.329 3.348 20 0 BGADHN C[C@H]1CCN(Cc2cccc3[nH]ccc32)C[C@@H]1F ZINC000679358041 487935712 /nfs/dbraw/zinc/93/57/12/487935712.db2.gz FGSIMEJJCMOJFM-FZMZJTMJSA-N 0 3 246.329 3.348 20 0 BGADHN C[C@@H]1CCN(Cc2cccc3[nH]ccc32)C[C@@H]1F ZINC000679358042 487935804 /nfs/dbraw/zinc/93/58/04/487935804.db2.gz FGSIMEJJCMOJFM-RISCZKNCSA-N 0 3 246.329 3.348 20 0 BGADHN C[C@H]1CCN(Cc2cccc3[nH]ccc32)C[C@H]1F ZINC000679358043 487935566 /nfs/dbraw/zinc/93/55/66/487935566.db2.gz FGSIMEJJCMOJFM-SMDDNHRTSA-N 0 3 246.329 3.348 20 0 BGADHN COc1ccc2oc(CN3CC=CCC3)cc2c1 ZINC000679358086 488344797 /nfs/dbraw/zinc/34/47/97/488344797.db2.gz BAISDZPCSYUICZ-UHFFFAOYSA-N 0 3 243.306 3.203 20 0 BGADHN CC(C)COc1cccc(CN2CC=CCC2)c1 ZINC000679358485 488345526 /nfs/dbraw/zinc/34/55/26/488345526.db2.gz GXRCEMQWLVDHRT-UHFFFAOYSA-N 0 3 245.366 3.483 20 0 BGADHN CC1(C)Cc2cc(CN3CC=CCC3)ccc2O1 ZINC000679358639 488345032 /nfs/dbraw/zinc/34/50/32/488345032.db2.gz JSVRHSWTAMZGJW-UHFFFAOYSA-N 0 3 243.350 3.162 20 0 BGADHN Fc1ccc(/C=C\CN2CC=CCC2)cc1 ZINC000679359016 488345209 /nfs/dbraw/zinc/34/52/09/488345209.db2.gz MCNZUCMUMQKQSO-PLNGDYQASA-N 0 3 217.287 3.101 20 0 BGADHN Fc1ccc(/C=C/CN2CC=CCC2)cc1 ZINC000679359017 488345380 /nfs/dbraw/zinc/34/53/80/488345380.db2.gz MCNZUCMUMQKQSO-SNAWJCMRSA-N 0 3 217.287 3.101 20 0 BGADHN C[C@@H]1CCN(C[C@@H]2C[C@@H]2c2ccccc2)C[C@@H]1F ZINC000679359192 487937339 /nfs/dbraw/zinc/93/73/39/487937339.db2.gz LFNWENNVVVSNDS-BVUBDWEXSA-N 0 3 247.357 3.470 20 0 BGADHN C[C@@H]1CCN(C[C@@H]2C[C@@H]2c2ccccc2)C[C@H]1F ZINC000679359198 487937510 /nfs/dbraw/zinc/93/75/10/487937510.db2.gz LFNWENNVVVSNDS-SLBVQIDZSA-N 0 3 247.357 3.470 20 0 BGADHN COc1c(C)cc(CN2CC=CCC2)cc1C ZINC000679359608 488346131 /nfs/dbraw/zinc/34/61/31/488346131.db2.gz PCMXCNJEWJAKEE-UHFFFAOYSA-N 0 3 231.339 3.074 20 0 BGADHN Cc1ccc(CN2CC=CCC2)cc1C ZINC000679359620 488345976 /nfs/dbraw/zinc/34/59/76/488345976.db2.gz PPPZRLQMLZGJIL-UHFFFAOYSA-N 0 3 201.313 3.065 20 0 BGADHN CCc1ccc(CN2CC=CCC2)s1 ZINC000679360237 488345573 /nfs/dbraw/zinc/34/55/73/488345573.db2.gz TXXRWDHOBPTOQH-UHFFFAOYSA-N 0 3 207.342 3.072 20 0 BGADHN Cc1ccc(CN2CC[C@@H](C)[C@@H](F)C2)c(C)c1 ZINC000679360290 488345953 /nfs/dbraw/zinc/34/59/53/488345953.db2.gz OWUIQCIVIUOGGW-DOMZBBRYSA-N 0 3 235.346 3.483 20 0 BGADHN Cc1ccc(CN2CC[C@@H](C)[C@H](F)C2)c(C)c1 ZINC000679360293 488345998 /nfs/dbraw/zinc/34/59/98/488345998.db2.gz OWUIQCIVIUOGGW-IUODEOHRSA-N 0 3 235.346 3.483 20 0 BGADHN Cc1ccc(CN2CC[C@H](C)[C@H](F)C2)c(C)c1 ZINC000679360295 488345676 /nfs/dbraw/zinc/34/56/76/488345676.db2.gz OWUIQCIVIUOGGW-SWLSCSKDSA-N 0 3 235.346 3.483 20 0 BGADHN Cc1ccc(CN2CC[C@H](C)[C@@H](F)C2)c(C)c1 ZINC000679360297 488345783 /nfs/dbraw/zinc/34/57/83/488345783.db2.gz OWUIQCIVIUOGGW-WFASDCNBSA-N 0 3 235.346 3.483 20 0 BGADHN CC(C)COc1ccc(CN2CC=CCC2)cc1 ZINC000679360789 488346379 /nfs/dbraw/zinc/34/63/79/488346379.db2.gz WSJFNEOUUAAGNH-UHFFFAOYSA-N 0 3 245.366 3.483 20 0 BGADHN C/C(=C/c1ccccc1)CN1CC=CCC1 ZINC000679360856 488346394 /nfs/dbraw/zinc/34/63/94/488346394.db2.gz YAPNSPLNCWYAMA-OWBHPGMISA-N 0 3 213.324 3.352 20 0 BGADHN C/C(=C\c1ccccc1)CN1CC=CCC1 ZINC000679360857 488346705 /nfs/dbraw/zinc/34/67/05/488346705.db2.gz YAPNSPLNCWYAMA-WYMLVPIESA-N 0 3 213.324 3.352 20 0 BGADHN Cc1cccc(CN2CC=CCC2)c1C ZINC000679361329 488346644 /nfs/dbraw/zinc/34/66/44/488346644.db2.gz ZOKRSLARSJFLNV-UHFFFAOYSA-N 0 3 201.313 3.065 20 0 BGADHN C[C@@H]1CCN(Cc2cccc3cc[nH]c32)C[C@H]1F ZINC000679361656 488346673 /nfs/dbraw/zinc/34/66/73/488346673.db2.gz UJBCBLBCENWTHY-BXUZGUMPSA-N 0 3 246.329 3.348 20 0 BGADHN C[C@H]1CCN(Cc2cccc3cc[nH]c32)C[C@@H]1F ZINC000679361657 488346286 /nfs/dbraw/zinc/34/62/86/488346286.db2.gz UJBCBLBCENWTHY-FZMZJTMJSA-N 0 3 246.329 3.348 20 0 BGADHN C[C@@H]1CCN(Cc2cccc3cc[nH]c32)C[C@@H]1F ZINC000679361658 488346426 /nfs/dbraw/zinc/34/64/26/488346426.db2.gz UJBCBLBCENWTHY-RISCZKNCSA-N 0 3 246.329 3.348 20 0 BGADHN C[C@H]1CCN(Cc2cccc3cc[nH]c32)C[C@H]1F ZINC000679361659 488346694 /nfs/dbraw/zinc/34/66/94/488346694.db2.gz UJBCBLBCENWTHY-SMDDNHRTSA-N 0 3 246.329 3.348 20 0 BGADHN CC(C)(NCc1nc2cc(F)ccc2o1)C1CC1 ZINC000679368454 488347722 /nfs/dbraw/zinc/34/77/22/488347722.db2.gz MCMUELFKDRKCIT-UHFFFAOYSA-N 0 3 248.301 3.245 20 0 BGADHN C[C@@H]1CCC[C@@H](C)[N@@H+](Cc2ccc([O-])cc2)C1 ZINC000679391829 488349987 /nfs/dbraw/zinc/34/99/87/488349987.db2.gz AODMIRMNISRBQP-CHWSQXEVSA-N 0 3 233.355 3.403 20 0 BGADHN C[C@@H]1CCC[C@@H](C)[N@H+](Cc2ccc([O-])cc2)C1 ZINC000679391829 488349986 /nfs/dbraw/zinc/34/99/86/488349986.db2.gz AODMIRMNISRBQP-CHWSQXEVSA-N 0 3 233.355 3.403 20 0 BGADHN C[C@@H]1CCC[C@H](C)[N@@H+](Cc2ccc([O-])cc2)C1 ZINC000679391831 488349945 /nfs/dbraw/zinc/34/99/45/488349945.db2.gz AODMIRMNISRBQP-OLZOCXBDSA-N 0 3 233.355 3.403 20 0 BGADHN C[C@@H]1CCC[C@H](C)[N@H+](Cc2ccc([O-])cc2)C1 ZINC000679391831 488349942 /nfs/dbraw/zinc/34/99/42/488349942.db2.gz AODMIRMNISRBQP-OLZOCXBDSA-N 0 3 233.355 3.403 20 0 BGADHN C[C@@H]1CCC[C@H](C)C[N@@H+]1Cc1ccc([O-])cc1 ZINC000679391833 488349856 /nfs/dbraw/zinc/34/98/56/488349856.db2.gz AODMIRMNISRBQP-QWHCGFSZSA-N 0 3 233.355 3.403 20 0 BGADHN C[C@@H]1CCC[C@H](C)C[N@H+]1Cc1ccc([O-])cc1 ZINC000679391833 488349854 /nfs/dbraw/zinc/34/98/54/488349854.db2.gz AODMIRMNISRBQP-QWHCGFSZSA-N 0 3 233.355 3.403 20 0 BGADHN C[C@H]1CCC[C@H](C)[N@@H+](Cc2ccc([O-])cc2)C1 ZINC000679391834 488349977 /nfs/dbraw/zinc/34/99/77/488349977.db2.gz AODMIRMNISRBQP-STQMWFEESA-N 0 3 233.355 3.403 20 0 BGADHN C[C@H]1CCC[C@H](C)[N@H+](Cc2ccc([O-])cc2)C1 ZINC000679391834 488349975 /nfs/dbraw/zinc/34/99/75/488349975.db2.gz AODMIRMNISRBQP-STQMWFEESA-N 0 3 233.355 3.403 20 0 BGADHN Oc1ccc(CN2CCC[C@H]2c2ccco2)cc1 ZINC000679392111 488349786 /nfs/dbraw/zinc/34/97/86/488349786.db2.gz GUOBQGXSXGAQDO-AWEZNQCLSA-N 0 3 243.306 3.322 20 0 BGADHN Oc1ccc(CN2CCC[C@@H]2c2ccco2)cc1 ZINC000679392112 488349629 /nfs/dbraw/zinc/34/96/29/488349629.db2.gz GUOBQGXSXGAQDO-CQSZACIVSA-N 0 3 243.306 3.322 20 0 BGADHN C[C@@H]1C[C@H](C)CC[N@@H+](Cc2ccc([O-])cc2)C1 ZINC000679392446 488349640 /nfs/dbraw/zinc/34/96/40/488349640.db2.gz KYFBCNUKOUXZPV-CHWSQXEVSA-N 0 3 233.355 3.260 20 0 BGADHN C[C@@H]1C[C@H](C)CC[N@H+](Cc2ccc([O-])cc2)C1 ZINC000679392446 488349639 /nfs/dbraw/zinc/34/96/39/488349639.db2.gz KYFBCNUKOUXZPV-CHWSQXEVSA-N 0 3 233.355 3.260 20 0 BGADHN C[C@@H]1CC[N@@H+](Cc2ccc([O-])cc2)C[C@@H](C)C1 ZINC000679392447 488349876 /nfs/dbraw/zinc/34/98/76/488349876.db2.gz KYFBCNUKOUXZPV-OLZOCXBDSA-N 0 3 233.355 3.260 20 0 BGADHN C[C@@H]1CC[N@H+](Cc2ccc([O-])cc2)C[C@@H](C)C1 ZINC000679392447 488349873 /nfs/dbraw/zinc/34/98/73/488349873.db2.gz KYFBCNUKOUXZPV-OLZOCXBDSA-N 0 3 233.355 3.260 20 0 BGADHN C[C@H]1CC[N@@H+](Cc2ccc([O-])cc2)C[C@H](C)C1 ZINC000679392448 488349918 /nfs/dbraw/zinc/34/99/18/488349918.db2.gz KYFBCNUKOUXZPV-QWHCGFSZSA-N 0 3 233.355 3.260 20 0 BGADHN C[C@H]1CC[N@H+](Cc2ccc([O-])cc2)C[C@H](C)C1 ZINC000679392448 488349916 /nfs/dbraw/zinc/34/99/16/488349916.db2.gz KYFBCNUKOUXZPV-QWHCGFSZSA-N 0 3 233.355 3.260 20 0 BGADHN C[C@H]1CC[N@@H+](Cc2ccc([O-])cc2)C[C@@H](C)C1 ZINC000679392449 488349646 /nfs/dbraw/zinc/34/96/46/488349646.db2.gz KYFBCNUKOUXZPV-STQMWFEESA-N 0 3 233.355 3.260 20 0 BGADHN C[C@H]1CC[N@H+](Cc2ccc([O-])cc2)C[C@@H](C)C1 ZINC000679392449 488349645 /nfs/dbraw/zinc/34/96/45/488349645.db2.gz KYFBCNUKOUXZPV-STQMWFEESA-N 0 3 233.355 3.260 20 0 BGADHN Oc1ccc(CNC2(c3ccccc3)CC2)cc1 ZINC000679393231 488350081 /nfs/dbraw/zinc/35/00/81/488350081.db2.gz ILIWDJQFBDFPTG-UHFFFAOYSA-N 0 3 239.318 3.171 20 0 BGADHN CC[C@H](NCc1ccc(O)cc1)c1ccncc1 ZINC000679394466 488350073 /nfs/dbraw/zinc/35/00/73/488350073.db2.gz MBXKDKHPUDWRMP-HNNXBMFYSA-N 0 3 242.322 3.028 20 0 BGADHN CC[C@@H](NCc1ccc(O)cc1)c1ccncc1 ZINC000679394467 488350267 /nfs/dbraw/zinc/35/02/67/488350267.db2.gz MBXKDKHPUDWRMP-OAHLLOKOSA-N 0 3 242.322 3.028 20 0 BGADHN CCOCCN(C)Cc1ccccc1C1CC1 ZINC000679423444 488351884 /nfs/dbraw/zinc/35/18/84/488351884.db2.gz SYEAGZAUUVRIMZ-UHFFFAOYSA-N 0 3 233.355 3.032 20 0 BGADHN Cc1cc(CNCC2(C)CCCCCC2)ncn1 ZINC000679481456 488354195 /nfs/dbraw/zinc/35/41/95/488354195.db2.gz CSFOESOCSNLMIM-UHFFFAOYSA-N 0 3 247.386 3.235 20 0 BGADHN CN(Cc1ccco1)C[C@@H]1CCc2ccccc21 ZINC000679533177 488356809 /nfs/dbraw/zinc/35/68/09/488356809.db2.gz JLXMPGNYRDKHEE-AWEZNQCLSA-N 0 3 241.334 3.441 20 0 BGADHN CN(Cc1ccco1)C[C@H]1CCc2ccccc21 ZINC000679533178 488356685 /nfs/dbraw/zinc/35/66/85/488356685.db2.gz JLXMPGNYRDKHEE-CQSZACIVSA-N 0 3 241.334 3.441 20 0 BGADHN C[C@@H]1CC[C@H](C(F)(F)F)CN1CCCF ZINC000679541179 488357375 /nfs/dbraw/zinc/35/73/75/488357375.db2.gz JGBCYEKGDJVDNO-BDAKNGLRSA-N 0 3 227.245 3.009 20 0 BGADHN C[C@H]1CC[C@@H](C(F)(F)F)CN1CCCF ZINC000679541180 488357311 /nfs/dbraw/zinc/35/73/11/488357311.db2.gz JGBCYEKGDJVDNO-DTWKUNHWSA-N 0 3 227.245 3.009 20 0 BGADHN C[C@H]1CC[C@H](C(F)(F)F)CN1CCCF ZINC000679541181 488357547 /nfs/dbraw/zinc/35/75/47/488357547.db2.gz JGBCYEKGDJVDNO-IUCAKERBSA-N 0 3 227.245 3.009 20 0 BGADHN C[C@@H]1CC[C@@H](C(F)(F)F)CN1CCCF ZINC000679541182 488356133 /nfs/dbraw/zinc/35/61/33/488356133.db2.gz JGBCYEKGDJVDNO-RKDXNWHRSA-N 0 3 227.245 3.009 20 0 BGADHN Cc1cc(CN[C@H](C)C[C@H](C)CC(C)C)ncn1 ZINC000679577261 488358994 /nfs/dbraw/zinc/35/89/94/488358994.db2.gz OPESYNIZTSTELQ-CHWSQXEVSA-N 0 3 249.402 3.335 20 0 BGADHN Cc1cc(CN[C@@H](C)C[C@H](C)CC(C)C)ncn1 ZINC000679577262 487611787 /nfs/dbraw/zinc/61/17/87/487611787.db2.gz OPESYNIZTSTELQ-OLZOCXBDSA-N 0 3 249.402 3.335 20 0 BGADHN Cc1cc(CN[C@H](C)C[C@@H](C)CC(C)C)ncn1 ZINC000679577263 487611875 /nfs/dbraw/zinc/61/18/75/487611875.db2.gz OPESYNIZTSTELQ-QWHCGFSZSA-N 0 3 249.402 3.335 20 0 BGADHN Cc1cc(CN[C@@H](C)C[C@@H](C)CC(C)C)ncn1 ZINC000679577264 487611620 /nfs/dbraw/zinc/61/16/20/487611620.db2.gz OPESYNIZTSTELQ-STQMWFEESA-N 0 3 249.402 3.335 20 0 BGADHN CCCCCN(CCOC)Cc1cccs1 ZINC000679624289 488359952 /nfs/dbraw/zinc/35/99/52/488359952.db2.gz UDJUTOGSHQHQDT-UHFFFAOYSA-N 0 3 241.400 3.387 20 0 BGADHN Cc1cccc(C2(NC3CSC3)CCCC2)c1 ZINC000679627404 488360150 /nfs/dbraw/zinc/36/01/50/488360150.db2.gz GPMHNYUUPWWMIO-UHFFFAOYSA-N 0 3 247.407 3.469 20 0 BGADHN CSc1ccccc1CN1CC=CCC1 ZINC000679673438 488363573 /nfs/dbraw/zinc/36/35/73/488363573.db2.gz IKOFPBBWDVBYOL-UHFFFAOYSA-N 0 3 219.353 3.170 20 0 BGADHN CCCN(Cc1ccccc1F)C[C@@H](C)OC ZINC000679850474 488367077 /nfs/dbraw/zinc/36/70/77/488367077.db2.gz HWWFZLMKEIOOFU-GFCCVEGCSA-N 0 3 239.334 3.073 20 0 BGADHN CCCN(Cc1ccccc1F)C[C@H](C)OC ZINC000679850476 488366900 /nfs/dbraw/zinc/36/69/00/488366900.db2.gz HWWFZLMKEIOOFU-LBPRGKRZSA-N 0 3 239.334 3.073 20 0 BGADHN c1cc(CCCN2[C@H]3C=CC[C@@H]2CC3)cs1 ZINC000679929413 487493112 /nfs/dbraw/zinc/49/31/12/487493112.db2.gz HCRMLGMDVJMASJ-UONOGXRCSA-N 0 3 233.380 3.474 20 0 BGADHN FC(F)[C@@H]1CCN(CCCc2ccsc2)C1 ZINC000679932637 487496051 /nfs/dbraw/zinc/49/60/51/487496051.db2.gz YVKOHVZVSCDHGV-LLVKDONJSA-N 0 3 245.338 3.268 20 0 BGADHN FC(F)[C@H]1CCN(CCCc2ccsc2)C1 ZINC000679932638 487496000 /nfs/dbraw/zinc/49/60/00/487496000.db2.gz YVKOHVZVSCDHGV-NSHDSACASA-N 0 3 245.338 3.268 20 0 BGADHN CC1=CCN(Cc2cccc3cnccc32)CC1 ZINC000679989806 487511822 /nfs/dbraw/zinc/51/18/22/487511822.db2.gz LYAANWRCDDAXJH-UHFFFAOYSA-N 0 3 238.334 3.387 20 0 BGADHN CCC(CC)(CC)CNCc1cc(C)ncn1 ZINC000679999938 487513492 /nfs/dbraw/zinc/51/34/92/487513492.db2.gz XDCCFDOMZURAKE-UHFFFAOYSA-N 0 3 235.375 3.091 20 0 BGADHN C[C@@H]1CCCN(CCc2cccc(F)c2F)C1 ZINC000680045996 487526456 /nfs/dbraw/zinc/52/64/56/487526456.db2.gz QYQNVEVHXBBMCQ-LLVKDONJSA-N 0 3 239.309 3.239 20 0 BGADHN C[C@H]1CCCN(CCc2cccc(F)c2F)C1 ZINC000680046000 487526264 /nfs/dbraw/zinc/52/62/64/487526264.db2.gz QYQNVEVHXBBMCQ-NSHDSACASA-N 0 3 239.309 3.239 20 0 BGADHN Cc1cc(F)ccc1CN1CC[C@@H](C(F)F)C1 ZINC000680070832 487531824 /nfs/dbraw/zinc/53/18/24/487531824.db2.gz NQOULZCSIDMCQH-LLVKDONJSA-N 0 3 243.272 3.221 20 0 BGADHN Cc1cc(F)ccc1CN1CC[C@H](C(F)F)C1 ZINC000680070833 487532438 /nfs/dbraw/zinc/53/24/38/487532438.db2.gz NQOULZCSIDMCQH-NSHDSACASA-N 0 3 243.272 3.221 20 0 BGADHN CC(C)=CCN1CC[C@H](Oc2cccc(F)c2)C1 ZINC000680109712 487537379 /nfs/dbraw/zinc/53/73/79/487537379.db2.gz GIKQCKYUHSHVFE-HNNXBMFYSA-N 0 3 249.329 3.245 20 0 BGADHN CC(C)=CCN1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000680109714 487537486 /nfs/dbraw/zinc/53/74/86/487537486.db2.gz GIKQCKYUHSHVFE-OAHLLOKOSA-N 0 3 249.329 3.245 20 0 BGADHN CC[C@H]1CCC[C@H](CNCc2cc(C)ncn2)C1 ZINC000680133787 487539442 /nfs/dbraw/zinc/53/94/42/487539442.db2.gz LJSBYVHGKKNVJJ-KBPBESRZSA-N 0 3 247.386 3.091 20 0 BGADHN CC[C@@H]1CCC[C@H](CNCc2cc(C)ncn2)C1 ZINC000680133789 487539846 /nfs/dbraw/zinc/53/98/46/487539846.db2.gz LJSBYVHGKKNVJJ-KGLIPLIRSA-N 0 3 247.386 3.091 20 0 BGADHN CC[C@H]1CCC[C@@H](CNCc2cc(C)ncn2)C1 ZINC000680133896 487539354 /nfs/dbraw/zinc/53/93/54/487539354.db2.gz LJSBYVHGKKNVJJ-UONOGXRCSA-N 0 3 247.386 3.091 20 0 BGADHN CC[C@@H]1CCC[C@@H](CNCc2cc(C)ncn2)C1 ZINC000680133898 487539956 /nfs/dbraw/zinc/53/99/56/487539956.db2.gz LJSBYVHGKKNVJJ-ZIAGYGMSSA-N 0 3 247.386 3.091 20 0 BGADHN CC[C@H](C)CN[C@@H]1COc2cc(F)cc(F)c21 ZINC000680147304 487540822 /nfs/dbraw/zinc/54/08/22/487540822.db2.gz CGOCKMKMALSQPJ-GZMMTYOYSA-N 0 3 241.281 3.034 20 0 BGADHN CC[C@@H](C)CN[C@H]1COc2cc(F)cc(F)c21 ZINC000680147305 487540565 /nfs/dbraw/zinc/54/05/65/487540565.db2.gz CGOCKMKMALSQPJ-KCJUWKMLSA-N 0 3 241.281 3.034 20 0 BGADHN CC[C@H](C)CN[C@H]1COc2cc(F)cc(F)c21 ZINC000680147307 487541010 /nfs/dbraw/zinc/54/10/10/487541010.db2.gz CGOCKMKMALSQPJ-KWQFWETISA-N 0 3 241.281 3.034 20 0 BGADHN CC[C@@H](C)CN[C@@H]1COc2cc(F)cc(F)c21 ZINC000680147308 487541148 /nfs/dbraw/zinc/54/11/48/487541148.db2.gz CGOCKMKMALSQPJ-LDYMZIIASA-N 0 3 241.281 3.034 20 0 BGADHN Cc1ccc(CNC2CC(OC(C)(C)C)C2)o1 ZINC000680148425 487540480 /nfs/dbraw/zinc/54/04/80/487540480.db2.gz BLAYURDOGMZYNH-UHFFFAOYSA-N 0 3 237.343 3.024 20 0 BGADHN CCc1cnc(CN2CCC[C@@H]2C2CC2)s1 ZINC000680329159 487563333 /nfs/dbraw/zinc/56/33/33/487563333.db2.gz MDFFLBPDRPQVQR-GFCCVEGCSA-N 0 3 236.384 3.080 20 0 BGADHN CCc1cnc(CN2CCC[C@H]2C2CC2)s1 ZINC000680329160 487562788 /nfs/dbraw/zinc/56/27/88/487562788.db2.gz MDFFLBPDRPQVQR-LBPRGKRZSA-N 0 3 236.384 3.080 20 0 BGADHN C[C@@H](CCC(F)(F)F)N[C@@H](C)c1ccccn1 ZINC000680329784 487564330 /nfs/dbraw/zinc/56/43/30/487564330.db2.gz HGILWPIEPMYJAH-UWVGGRQHSA-N 0 3 246.276 3.463 20 0 BGADHN C[C@H](CCC(F)(F)F)N[C@@H](C)c1ccccn1 ZINC000680329791 487559540 /nfs/dbraw/zinc/55/95/40/487559540.db2.gz HGILWPIEPMYJAH-ZJUUUORDSA-N 0 3 246.276 3.463 20 0 BGADHN CC[C@@H]1CCC[C@@H](CN(C)Cc2cn[nH]c2)C1 ZINC000680329931 487564410 /nfs/dbraw/zinc/56/44/10/487564410.db2.gz VISMQUZELAWAOZ-CHWSQXEVSA-N 0 3 235.375 3.058 20 0 BGADHN CC[C@@H]1CCC[C@H](CN(C)Cc2cn[nH]c2)C1 ZINC000680329932 487564843 /nfs/dbraw/zinc/56/48/43/487564843.db2.gz VISMQUZELAWAOZ-OLZOCXBDSA-N 0 3 235.375 3.058 20 0 BGADHN CC[C@H]1CCC[C@@H](CN(C)Cc2cn[nH]c2)C1 ZINC000680329933 487564134 /nfs/dbraw/zinc/56/41/34/487564134.db2.gz VISMQUZELAWAOZ-QWHCGFSZSA-N 0 3 235.375 3.058 20 0 BGADHN CC[C@H]1CCC[C@H](CN(C)Cc2cn[nH]c2)C1 ZINC000680329934 487564749 /nfs/dbraw/zinc/56/47/49/487564749.db2.gz VISMQUZELAWAOZ-STQMWFEESA-N 0 3 235.375 3.058 20 0 BGADHN CC[C@@H]1CCC[C@H](CN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000680330472 487564690 /nfs/dbraw/zinc/56/46/90/487564690.db2.gz ZQOPVWVTBQFFIB-BARDWOONSA-N 0 3 237.387 3.066 20 0 BGADHN CC[C@H]1CCC[C@@H](CN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000680330474 487564462 /nfs/dbraw/zinc/56/44/62/487564462.db2.gz ZQOPVWVTBQFFIB-LJISPDSOSA-N 0 3 237.387 3.066 20 0 BGADHN CC[C@@H]1CCC[C@@H](CN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000680330476 487564241 /nfs/dbraw/zinc/56/42/41/487564241.db2.gz ZQOPVWVTBQFFIB-TUVASFSCSA-N 0 3 237.387 3.066 20 0 BGADHN CC[C@H]1CCC[C@H](CN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000680330477 487564487 /nfs/dbraw/zinc/56/44/87/487564487.db2.gz ZQOPVWVTBQFFIB-ZQDZILKHSA-N 0 3 237.387 3.066 20 0 BGADHN Cc1cc(CN2CC=CCC2)cc2cccnc12 ZINC000680334783 491122413 /nfs/dbraw/zinc/12/24/13/491122413.db2.gz NFXJBDGKIIUCIE-UHFFFAOYSA-N 0 3 238.334 3.305 20 0 BGADHN CCC[C@H](N[C@@H](C)[C@H]1CCCO1)c1ccccn1 ZINC000680339017 487567859 /nfs/dbraw/zinc/56/78/59/487567859.db2.gz VAWNQLXMXMROKW-AEGPPILISA-N 0 3 248.370 3.080 20 0 BGADHN CCC[C@H](N[C@@H](C)[C@@H]1CCCO1)c1ccccn1 ZINC000680339018 487568450 /nfs/dbraw/zinc/56/84/50/487568450.db2.gz VAWNQLXMXMROKW-QEJZJMRPSA-N 0 3 248.370 3.080 20 0 BGADHN CCC[C@H](N[C@H](C)[C@@H]1CCCO1)c1ccccn1 ZINC000680339019 487567870 /nfs/dbraw/zinc/56/78/70/487567870.db2.gz VAWNQLXMXMROKW-SNPRPXQTSA-N 0 3 248.370 3.080 20 0 BGADHN CCC[C@H](N[C@H](C)[C@H]1CCCO1)c1ccccn1 ZINC000680339020 487568088 /nfs/dbraw/zinc/56/80/88/487568088.db2.gz VAWNQLXMXMROKW-VHDGCEQUSA-N 0 3 248.370 3.080 20 0 BGADHN CC(C)c1cc(CN[C@@H]2CCC(C)(C)C2)on1 ZINC000680341753 487569380 /nfs/dbraw/zinc/56/93/80/487569380.db2.gz VRMRQSBTVZZWPQ-LLVKDONJSA-N 0 3 236.359 3.466 20 0 BGADHN CC(C)c1cc(CN[C@H]2CCC(C)(C)C2)on1 ZINC000680341755 487568787 /nfs/dbraw/zinc/56/87/87/487568787.db2.gz VRMRQSBTVZZWPQ-NSHDSACASA-N 0 3 236.359 3.466 20 0 BGADHN Cc1cc(CN[C@H](C)C2CCCCCC2)ncn1 ZINC000680344401 487569974 /nfs/dbraw/zinc/56/99/74/487569974.db2.gz FKAYSBUZDTYPRX-CYBMUJFWSA-N 0 3 247.386 3.234 20 0 BGADHN Cc1cc(CN[C@@H](C)C2CCCCCC2)ncn1 ZINC000680344402 487570211 /nfs/dbraw/zinc/57/02/11/487570211.db2.gz FKAYSBUZDTYPRX-ZDUSSCGKSA-N 0 3 247.386 3.234 20 0 BGADHN CC(C)[C@H](C)N[C@@H]1COc2cc(F)cc(F)c21 ZINC000680355183 487572990 /nfs/dbraw/zinc/57/29/90/487572990.db2.gz LSUWUZVGRFZKBF-GZMMTYOYSA-N 0 3 241.281 3.032 20 0 BGADHN CC(C)[C@@H](C)N[C@H]1COc2cc(F)cc(F)c21 ZINC000680355184 487573126 /nfs/dbraw/zinc/57/31/26/487573126.db2.gz LSUWUZVGRFZKBF-KCJUWKMLSA-N 0 3 241.281 3.032 20 0 BGADHN CC(C)[C@H](C)N[C@H]1COc2cc(F)cc(F)c21 ZINC000680355185 487573023 /nfs/dbraw/zinc/57/30/23/487573023.db2.gz LSUWUZVGRFZKBF-KWQFWETISA-N 0 3 241.281 3.032 20 0 BGADHN CC(C)[C@@H](C)N[C@@H]1COc2cc(F)cc(F)c21 ZINC000680355186 487572974 /nfs/dbraw/zinc/57/29/74/487572974.db2.gz LSUWUZVGRFZKBF-LDYMZIIASA-N 0 3 241.281 3.032 20 0 BGADHN CCN(CCCc1ccncc1)Cc1ccoc1 ZINC000680363929 487575338 /nfs/dbraw/zinc/57/53/38/487575338.db2.gz VFRLZWDDONIMMI-UHFFFAOYSA-N 0 3 244.338 3.129 20 0 BGADHN CN(CCCc1ccncc1)Cc1ccsc1 ZINC000680364265 487575017 /nfs/dbraw/zinc/57/50/17/487575017.db2.gz DSGQMLBNBAVNQN-UHFFFAOYSA-N 0 3 246.379 3.208 20 0 BGADHN CN(CC[C@H]1CCCCO1)Cc1ccsc1 ZINC000680370541 487576439 /nfs/dbraw/zinc/57/64/39/487576439.db2.gz HGYNFRWAVSELSF-CYBMUJFWSA-N 0 3 239.384 3.139 20 0 BGADHN CN(CC[C@@H]1CCCCO1)Cc1ccsc1 ZINC000680370543 487576292 /nfs/dbraw/zinc/57/62/92/487576292.db2.gz HGYNFRWAVSELSF-ZDUSSCGKSA-N 0 3 239.384 3.139 20 0 BGADHN CCN(CC[C@@H]1CCCCO1)Cc1ccoc1 ZINC000680373106 487577603 /nfs/dbraw/zinc/57/76/03/487577603.db2.gz SAHBZUYGWXPVSF-AWEZNQCLSA-N 0 3 237.343 3.061 20 0 BGADHN CCN(CC[C@H]1CCCCO1)Cc1ccoc1 ZINC000680373107 487577716 /nfs/dbraw/zinc/57/77/16/487577716.db2.gz SAHBZUYGWXPVSF-CQSZACIVSA-N 0 3 237.343 3.061 20 0 BGADHN C(CN1C2CCCC1CCC2)[C@@H]1CCCCO1 ZINC000680374377 487577289 /nfs/dbraw/zinc/57/72/89/487577289.db2.gz GPEPTKVPOJXSGD-NRXISQOPSA-N 0 3 237.387 3.353 20 0 BGADHN C(CN1C2CCCC1CCC2)[C@H]1CCCCO1 ZINC000680374378 487577433 /nfs/dbraw/zinc/57/74/33/487577433.db2.gz GPEPTKVPOJXSGD-YMAMQOFZSA-N 0 3 237.387 3.353 20 0 BGADHN CC(C)(NCc1nc2ccccc2o1)C1CC1 ZINC000680389118 487582602 /nfs/dbraw/zinc/58/26/02/487582602.db2.gz CSVVXOIJCUMFRU-UHFFFAOYSA-N 0 3 230.311 3.106 20 0 BGADHN Cc1ccc([C@@H](C)NCCCOC(C)(C)C)o1 ZINC000680405783 487587707 /nfs/dbraw/zinc/58/77/07/487587707.db2.gz MQDHDKINLQHXQM-GFCCVEGCSA-N 0 3 239.359 3.444 20 0 BGADHN Cc1ccc([C@H](C)NCCCOC(C)(C)C)o1 ZINC000680405784 487589695 /nfs/dbraw/zinc/58/96/95/487589695.db2.gz MQDHDKINLQHXQM-LBPRGKRZSA-N 0 3 239.359 3.444 20 0 BGADHN CC[C@H](NCCC1CCCCC1)c1ccn(C)n1 ZINC000680459892 487598683 /nfs/dbraw/zinc/59/86/83/487598683.db2.gz AMTUUMRDVABTQZ-AWEZNQCLSA-N 0 3 249.402 3.431 20 0 BGADHN CC[C@@H](NCCC1CCCCC1)c1ccn(C)n1 ZINC000680459894 487598438 /nfs/dbraw/zinc/59/84/38/487598438.db2.gz AMTUUMRDVABTQZ-CQSZACIVSA-N 0 3 249.402 3.431 20 0 BGADHN C[C@H](CC1CCCCC1)CN(C)Cc1cn[nH]c1 ZINC000680473350 487602134 /nfs/dbraw/zinc/60/21/34/487602134.db2.gz WDTXKIDFTIRSRI-CYBMUJFWSA-N 0 3 249.402 3.448 20 0 BGADHN C[C@@H](CC1CCCCC1)CN(C)Cc1cn[nH]c1 ZINC000680473351 487601902 /nfs/dbraw/zinc/60/19/02/487601902.db2.gz WDTXKIDFTIRSRI-ZDUSSCGKSA-N 0 3 249.402 3.448 20 0 BGADHN COC1CC(NCc2cc3cc(C)ccc3o2)C1 ZINC000680483468 487604773 /nfs/dbraw/zinc/60/47/73/487604773.db2.gz JRQKYHFSPOQYDT-UHFFFAOYSA-N 0 3 245.322 3.008 20 0 BGADHN CCCc1ccc(CNCCOC(C)C)cc1 ZINC000680484998 487605604 /nfs/dbraw/zinc/60/56/04/487605604.db2.gz PLNYUMFBRJYOIC-UHFFFAOYSA-N 0 3 235.371 3.154 20 0 BGADHN CC(C)OCCNCc1cc2ccccc2s1 ZINC000680495231 488196509 /nfs/dbraw/zinc/19/65/09/488196509.db2.gz PJQTUJMLZNBYRH-UHFFFAOYSA-N 0 3 249.379 3.416 20 0 BGADHN CCC[C@@H](C)CNCc1nn(C)c2ccccc12 ZINC000680546212 487614766 /nfs/dbraw/zinc/61/47/66/487614766.db2.gz ZRRVANUMWPJJGB-GFCCVEGCSA-N 0 3 245.370 3.099 20 0 BGADHN CCC[C@H](C)CNCc1nn(C)c2ccccc12 ZINC000680546213 487614609 /nfs/dbraw/zinc/61/46/09/487614609.db2.gz ZRRVANUMWPJJGB-LBPRGKRZSA-N 0 3 245.370 3.099 20 0 BGADHN Cc1ccc2nccc(N3CC=CCC3)c2c1 ZINC000680625645 487623418 /nfs/dbraw/zinc/62/34/18/487623418.db2.gz LJARZYKYXZDCBQ-UHFFFAOYSA-N 0 3 224.307 3.310 20 0 BGADHN CCCC[C@@H](CC)CN(C)Cc1cn[nH]c1 ZINC000680634391 487624832 /nfs/dbraw/zinc/62/48/32/487624832.db2.gz LPKLVDLNVDQOMW-GFCCVEGCSA-N 0 3 223.364 3.058 20 0 BGADHN CCCC[C@H](CC)CN(C)Cc1cn[nH]c1 ZINC000680634392 487624466 /nfs/dbraw/zinc/62/44/66/487624466.db2.gz LPKLVDLNVDQOMW-LBPRGKRZSA-N 0 3 223.364 3.058 20 0 BGADHN CCCC[C@@H](CC)CN1C[C@H]2CC[C@@H](C1)O2 ZINC000680634878 487625847 /nfs/dbraw/zinc/62/58/47/487625847.db2.gz UWRGCKGYVJOGTF-MCIONIFRSA-N 0 3 225.376 3.066 20 0 BGADHN CCCC[C@H](CC)CN1C[C@H]2CC[C@@H](C1)O2 ZINC000680634879 487625913 /nfs/dbraw/zinc/62/59/13/487625913.db2.gz UWRGCKGYVJOGTF-MELADBBJSA-N 0 3 225.376 3.066 20 0 BGADHN CCOc1ccc(CN(CC)CCC2CC2)nc1 ZINC000680635801 487625793 /nfs/dbraw/zinc/62/57/93/487625793.db2.gz GFWRUAMDOKWEGC-UHFFFAOYSA-N 0 3 248.370 3.102 20 0 BGADHN CC[C@@H](CC(F)(F)F)N[C@H](C)c1c[nH]nc1C ZINC000680637869 487625988 /nfs/dbraw/zinc/62/59/88/487625988.db2.gz UTLGOGBYMLLRFA-APPZFPTMSA-N 0 3 249.280 3.100 20 0 BGADHN CC[C@@H](CC(F)(F)F)N[C@@H](C)c1c[nH]nc1C ZINC000680637870 487626001 /nfs/dbraw/zinc/62/60/01/487626001.db2.gz UTLGOGBYMLLRFA-CBAPKCEASA-N 0 3 249.280 3.100 20 0 BGADHN CC[C@H](CC(F)(F)F)N[C@@H](C)c1c[nH]nc1C ZINC000680637872 487626620 /nfs/dbraw/zinc/62/66/20/487626620.db2.gz UTLGOGBYMLLRFA-IONNQARKSA-N 0 3 249.280 3.100 20 0 BGADHN CC[C@H](CC(F)(F)F)N[C@H](C)c1c[nH]nc1C ZINC000680637873 487626169 /nfs/dbraw/zinc/62/61/69/487626169.db2.gz UTLGOGBYMLLRFA-VXNVDRBHSA-N 0 3 249.280 3.100 20 0 BGADHN CCN(CCC1CC1)Cc1n[nH]c2ccccc21 ZINC000680650546 487628447 /nfs/dbraw/zinc/62/84/47/487628447.db2.gz YVVMVGPLLOZHHK-UHFFFAOYSA-N 0 3 243.354 3.185 20 0 BGADHN C[C@H](NCc1nc2ccccc2o1)C1CCC1 ZINC000680834238 487655065 /nfs/dbraw/zinc/65/50/65/487655065.db2.gz FAULSPCOUNLJEO-JTQLQIEISA-N 0 3 230.311 3.106 20 0 BGADHN C[C@@H](NCc1nc2ccccc2o1)C1CCC1 ZINC000680834240 487655176 /nfs/dbraw/zinc/65/51/76/487655176.db2.gz FAULSPCOUNLJEO-SNVBAGLBSA-N 0 3 230.311 3.106 20 0 BGADHN Clc1ccc(CN(C2CC2)C2CC2)cc1 ZINC000680834655 487655109 /nfs/dbraw/zinc/65/51/09/487655109.db2.gz JCGBEZGDCXPAMJ-UHFFFAOYSA-N 0 3 221.731 3.467 20 0 BGADHN FC(F)c1ccc(CN2CC=CCC2)cc1 ZINC000680864707 487660748 /nfs/dbraw/zinc/66/07/48/487660748.db2.gz ITEINLQPBZJFGI-UHFFFAOYSA-N 0 3 223.266 3.386 20 0 BGADHN Cc1cccc2c1ncc(C)c2NC1CC=CC1 ZINC000680895650 487667855 /nfs/dbraw/zinc/66/78/55/487667855.db2.gz BLSAJGYESBXHIF-UHFFFAOYSA-N 0 3 238.334 3.404 20 0 BGADHN Cc1ccc(CN2C3CCCC2CCC3)cn1 ZINC000680935362 487674462 /nfs/dbraw/zinc/67/44/62/487674462.db2.gz ZTWZIXXCJOJXIM-UHFFFAOYSA-N 0 3 230.355 3.297 20 0 BGADHN C[C@@H]1CCCc2ccccc2[C@H]1NC1CSC1 ZINC000680935490 487674316 /nfs/dbraw/zinc/67/43/16/487674316.db2.gz BUAINRDJFYUFQP-ABAIWWIYSA-N 0 3 247.407 3.405 20 0 BGADHN C[C@@H]1CCCc2ccccc2[C@@H]1NC1CSC1 ZINC000680935491 487674975 /nfs/dbraw/zinc/67/49/75/487674975.db2.gz BUAINRDJFYUFQP-IAQYHMDHSA-N 0 3 247.407 3.405 20 0 BGADHN C[C@H]1CCCc2ccccc2[C@H]1NC1CSC1 ZINC000680935492 487674439 /nfs/dbraw/zinc/67/44/39/487674439.db2.gz BUAINRDJFYUFQP-NHYWBVRUSA-N 0 3 247.407 3.405 20 0 BGADHN C[C@H]1CCCc2ccccc2[C@@H]1NC1CSC1 ZINC000680935493 487674424 /nfs/dbraw/zinc/67/44/24/487674424.db2.gz BUAINRDJFYUFQP-XHDPSFHLSA-N 0 3 247.407 3.405 20 0 BGADHN C[C@@H]1CCN(Cc2cn[nH]c2)CC12CCCCC2 ZINC000680936862 487674582 /nfs/dbraw/zinc/67/45/82/487674582.db2.gz AFDDSXHBXBRYKA-CYBMUJFWSA-N 0 3 247.386 3.202 20 0 BGADHN C[C@H]1CCN(Cc2cn[nH]c2)CC12CCCCC2 ZINC000680936863 487674794 /nfs/dbraw/zinc/67/47/94/487674794.db2.gz AFDDSXHBXBRYKA-ZDUSSCGKSA-N 0 3 247.386 3.202 20 0 BGADHN CC/C=C\CCN1CCOc2ccccc2C1 ZINC000681018925 487695948 /nfs/dbraw/zinc/69/59/48/487695948.db2.gz HECKGRABURAYQD-ARJAWSKDSA-N 0 3 231.339 3.237 20 0 BGADHN CC/C=C/CCN1CCOc2ccccc2C1 ZINC000681018926 487696347 /nfs/dbraw/zinc/69/63/47/487696347.db2.gz HECKGRABURAYQD-ONEGZZNKSA-N 0 3 231.339 3.237 20 0 BGADHN CC/C=C/CCN1CC(C)(C)OCC1(C)C ZINC000681020462 487697503 /nfs/dbraw/zinc/69/75/03/487697503.db2.gz BFDGUHRHCKYZJI-BQYQJAHWSA-N 0 3 225.376 3.232 20 0 BGADHN CC/C=C\CCN1CC(C)(C)OCC1(C)C ZINC000681020463 487697032 /nfs/dbraw/zinc/69/70/32/487697032.db2.gz BFDGUHRHCKYZJI-FPLPWBNLSA-N 0 3 225.376 3.232 20 0 BGADHN CC/C=C/CCN(CC)Cc1ccoc1 ZINC000681021354 487698967 /nfs/dbraw/zinc/69/89/67/487698967.db2.gz KOCSZCOPBZOIFD-AATRIKPKSA-N 0 3 207.317 3.458 20 0 BGADHN CC/C=C\CCN(CC)Cc1ccoc1 ZINC000681021355 487698693 /nfs/dbraw/zinc/69/86/93/487698693.db2.gz KOCSZCOPBZOIFD-WAYWQWQTSA-N 0 3 207.317 3.458 20 0 BGADHN CC/C=C\CCN1CC2(C1)CC(F)(F)C2 ZINC000681023341 487698978 /nfs/dbraw/zinc/69/89/78/487698978.db2.gz FWAGRGDXFSYJQL-ARJAWSKDSA-N 0 3 215.287 3.074 20 0 BGADHN CC/C=C/CCN1CC2(C1)CC(F)(F)C2 ZINC000681023345 487700581 /nfs/dbraw/zinc/70/05/81/487700581.db2.gz FWAGRGDXFSYJQL-ONEGZZNKSA-N 0 3 215.287 3.074 20 0 BGADHN CC/C=C/CCN1CC[C@H](C(F)(F)F)C1 ZINC000681024909 487700571 /nfs/dbraw/zinc/70/05/71/487700571.db2.gz SUIBOEFKPSQWSP-FSIBCCDJSA-N 0 3 221.266 3.227 20 0 BGADHN CC/C=C/CCN1CC[C@@H](C(F)(F)F)C1 ZINC000681024913 487697640 /nfs/dbraw/zinc/69/76/40/487697640.db2.gz SUIBOEFKPSQWSP-HMDXOVGESA-N 0 3 221.266 3.227 20 0 BGADHN CC/C=C\CCN1CC[C@@H](C(F)(F)F)C1 ZINC000681024916 487698834 /nfs/dbraw/zinc/69/88/34/487698834.db2.gz SUIBOEFKPSQWSP-UMBAGQNISA-N 0 3 221.266 3.227 20 0 BGADHN CC/C=C\CCN1CC[C@H](C(F)(F)F)C1 ZINC000681024918 487698548 /nfs/dbraw/zinc/69/85/48/487698548.db2.gz SUIBOEFKPSQWSP-XOULXFPDSA-N 0 3 221.266 3.227 20 0 BGADHN CC/C=C\CCN1CCC[C@H](OC(F)F)C1 ZINC000681029350 487701649 /nfs/dbraw/zinc/70/16/49/487701649.db2.gz AXHMESUUKXZDPW-BYCRGOAPSA-N 0 3 233.302 3.046 20 0 BGADHN CC/C=C\CCN1CCC[C@@H](OC(F)F)C1 ZINC000681029352 487701470 /nfs/dbraw/zinc/70/14/70/487701470.db2.gz AXHMESUUKXZDPW-DLRQAJBASA-N 0 3 233.302 3.046 20 0 BGADHN CC/C=C/CCN1CCC[C@@H](OC(F)F)C1 ZINC000681029353 487701505 /nfs/dbraw/zinc/70/15/05/487701505.db2.gz AXHMESUUKXZDPW-PGLGOXFNSA-N 0 3 233.302 3.046 20 0 BGADHN CC/C=C/CCN1CCC[C@H](OC(F)F)C1 ZINC000681029356 487701120 /nfs/dbraw/zinc/70/11/20/487701120.db2.gz AXHMESUUKXZDPW-UFFNRZRYSA-N 0 3 233.302 3.046 20 0 BGADHN Cc1cncc([C@H](C)N[C@@H]2CCC(F)(F)C2)c1 ZINC000681054007 487708334 /nfs/dbraw/zinc/70/83/34/487708334.db2.gz IWZNJBFUTYKLCP-CMPLNLGQSA-N 0 3 240.297 3.228 20 0 BGADHN Cc1cncc([C@H](C)N[C@H]2CCC(F)(F)C2)c1 ZINC000681054008 487708509 /nfs/dbraw/zinc/70/85/09/487708509.db2.gz IWZNJBFUTYKLCP-JQWIXIFHSA-N 0 3 240.297 3.228 20 0 BGADHN Cc1cncc([C@@H](C)N[C@H]2CCC(F)(F)C2)c1 ZINC000681054009 487707809 /nfs/dbraw/zinc/70/78/09/487707809.db2.gz IWZNJBFUTYKLCP-PWSUYJOCSA-N 0 3 240.297 3.228 20 0 BGADHN Cc1cncc([C@@H](C)N[C@@H]2CCC(F)(F)C2)c1 ZINC000681054010 487707888 /nfs/dbraw/zinc/70/78/88/487707888.db2.gz IWZNJBFUTYKLCP-ZYHUDNBSSA-N 0 3 240.297 3.228 20 0 BGADHN FC(F)C1CC(N[C@H]2CCCc3occc32)C1 ZINC000681089196 487718607 /nfs/dbraw/zinc/71/86/07/487718607.db2.gz KLWXYAZRUKIVOW-AMUVOQDHSA-N 0 3 241.281 3.290 20 0 BGADHN FC(F)C1CC(N[C@@H]2CCCc3occc32)C1 ZINC000681089197 487718594 /nfs/dbraw/zinc/71/85/94/487718594.db2.gz KLWXYAZRUKIVOW-NWGYLPEXSA-N 0 3 241.281 3.290 20 0 BGADHN Fc1ccc(F)c(CNC2CC(C(F)F)C2)c1 ZINC000681090912 487718228 /nfs/dbraw/zinc/71/82/28/487718228.db2.gz RZRLXLKKIOEJFW-UHFFFAOYSA-N 0 3 247.235 3.098 20 0 BGADHN CC(C)c1cc(CN[C@H](C)CCC2CC2)on1 ZINC000681108910 487852546 /nfs/dbraw/zinc/85/25/46/487852546.db2.gz XNNOEYMTDAWQKY-LLVKDONJSA-N 0 3 236.359 3.466 20 0 BGADHN CC(C)c1cc(CN[C@@H](C)CCC2CC2)on1 ZINC000681108911 487852571 /nfs/dbraw/zinc/85/25/71/487852571.db2.gz XNNOEYMTDAWQKY-NSHDSACASA-N 0 3 236.359 3.466 20 0 BGADHN C[C@H](c1ccncc1)N1CCCC2(CC2)C1 ZINC000681168815 487741928 /nfs/dbraw/zinc/74/19/28/487741928.db2.gz JWCOCGRHVXRWSL-GFCCVEGCSA-N 0 3 216.328 3.019 20 0 BGADHN C[C@@H](c1ccncc1)N1CCCC2(CC2)C1 ZINC000681168816 487742043 /nfs/dbraw/zinc/74/20/43/487742043.db2.gz JWCOCGRHVXRWSL-LBPRGKRZSA-N 0 3 216.328 3.019 20 0 BGADHN Cc1cc(CNCc2cccc(C(C)C)c2)n[nH]1 ZINC000681368293 487786443 /nfs/dbraw/zinc/78/64/43/487786443.db2.gz XNCFGLZVWFSYGT-UHFFFAOYSA-N 0 3 243.354 3.131 20 0 BGADHN CC(C)c1cccc(CN[C@@H]2C[C@H](O)C2(C)C)c1 ZINC000681398519 487791002 /nfs/dbraw/zinc/79/10/02/487791002.db2.gz HHQHGQRPVMLQHL-CABCVRRESA-N 0 3 247.382 3.059 20 0 BGADHN CC(C)c1cccc(CN[C@H]2C[C@H](O)C2(C)C)c1 ZINC000681398520 487790775 /nfs/dbraw/zinc/79/07/75/487790775.db2.gz HHQHGQRPVMLQHL-GJZGRUSLSA-N 0 3 247.382 3.059 20 0 BGADHN CC(C)c1cccc(CN[C@@H]2C[C@@H](O)C2(C)C)c1 ZINC000681398521 487791072 /nfs/dbraw/zinc/79/10/72/487791072.db2.gz HHQHGQRPVMLQHL-HUUCEWRRSA-N 0 3 247.382 3.059 20 0 BGADHN CC(C)c1cccc(CN[C@H]2C[C@@H](O)C2(C)C)c1 ZINC000681398522 487791135 /nfs/dbraw/zinc/79/11/35/487791135.db2.gz HHQHGQRPVMLQHL-LSDHHAIUSA-N 0 3 247.382 3.059 20 0 BGADHN CCC[C@H]1CCCC[C@H]1NCc1cc(C)n(C)n1 ZINC000681411172 487795608 /nfs/dbraw/zinc/79/56/08/487795608.db2.gz JZZMNIJJNAJMIT-DZGCQCFKSA-N 0 3 249.402 3.177 20 0 BGADHN CCC[C@@H]1CCCC[C@@H]1NCc1cc(C)n(C)n1 ZINC000681411173 487795472 /nfs/dbraw/zinc/79/54/72/487795472.db2.gz JZZMNIJJNAJMIT-HIFRSBDPSA-N 0 3 249.402 3.177 20 0 BGADHN CCC[C@@H]1CCCC[C@H]1NCc1cc(C)n(C)n1 ZINC000681411174 487795698 /nfs/dbraw/zinc/79/56/98/487795698.db2.gz JZZMNIJJNAJMIT-UKRRQHHQSA-N 0 3 249.402 3.177 20 0 BGADHN CCC[C@H]1CCCC[C@@H]1NCc1cc(C)n(C)n1 ZINC000681411175 487795161 /nfs/dbraw/zinc/79/51/61/487795161.db2.gz JZZMNIJJNAJMIT-ZFWWWQNUSA-N 0 3 249.402 3.177 20 0 BGADHN CCOc1ccc(CN2CCCC[C@@H](C)C2)nc1 ZINC000681465245 491062433 /nfs/dbraw/zinc/06/24/33/491062433.db2.gz MEHZNBYUMIBQFX-CYBMUJFWSA-N 0 3 248.370 3.102 20 0 BGADHN CCOc1ccc(CN2CCCC[C@H](C)C2)nc1 ZINC000681465247 491062392 /nfs/dbraw/zinc/06/23/92/491062392.db2.gz MEHZNBYUMIBQFX-ZDUSSCGKSA-N 0 3 248.370 3.102 20 0 BGADHN CCOc1ccc(CN2CC[C@@H](C)[C@@H]2CC)nc1 ZINC000681469522 487800516 /nfs/dbraw/zinc/80/05/16/487800516.db2.gz HQAJGTVOYJIBQU-DOMZBBRYSA-N 0 3 248.370 3.101 20 0 BGADHN CCOc1ccc(CN2CC[C@@H](C)[C@H]2CC)nc1 ZINC000681469523 487800032 /nfs/dbraw/zinc/80/00/32/487800032.db2.gz HQAJGTVOYJIBQU-IUODEOHRSA-N 0 3 248.370 3.101 20 0 BGADHN CCOc1ccc(CN2CC[C@H](C)[C@H]2CC)nc1 ZINC000681469524 487800196 /nfs/dbraw/zinc/80/01/96/487800196.db2.gz HQAJGTVOYJIBQU-SWLSCSKDSA-N 0 3 248.370 3.101 20 0 BGADHN CCOc1ccc(CN2CC[C@H](C)[C@@H]2CC)nc1 ZINC000681469525 487799819 /nfs/dbraw/zinc/79/98/19/487799819.db2.gz HQAJGTVOYJIBQU-WFASDCNBSA-N 0 3 248.370 3.101 20 0 BGADHN c1ccc(CN2CCOCC3(CCCC3)C2)cc1 ZINC000681475615 487801773 /nfs/dbraw/zinc/80/17/73/487801773.db2.gz UYONZZBHJHHZIU-UHFFFAOYSA-N 0 3 245.366 3.079 20 0 BGADHN CCCc1cccc(CN2CCCOC[C@@H]2C)c1 ZINC000681484457 487804177 /nfs/dbraw/zinc/80/41/77/487804177.db2.gz GDTVQFWMLADEMP-AWEZNQCLSA-N 0 3 247.382 3.250 20 0 BGADHN CCCc1cccc(CN2CCCOC[C@H]2C)c1 ZINC000681484458 487804399 /nfs/dbraw/zinc/80/43/99/487804399.db2.gz GDTVQFWMLADEMP-CQSZACIVSA-N 0 3 247.382 3.250 20 0 BGADHN CCCc1cccc(CN2CC=CCC2)c1 ZINC000681489872 487805122 /nfs/dbraw/zinc/80/51/22/487805122.db2.gz ORMLIFKXUBNTAA-UHFFFAOYSA-N 0 3 215.340 3.401 20 0 BGADHN Cc1ncc([C@H](C)N2C[C@@H](C)C[C@H](C)C2)c(C)n1 ZINC000681639833 487829328 /nfs/dbraw/zinc/82/93/28/487829328.db2.gz GJQSGTGOZUXRAT-GVXVVHGQSA-N 0 3 247.386 3.132 20 0 BGADHN Cc1ncc([C@H](C)N2C[C@H](C)C[C@H](C)C2)c(C)n1 ZINC000681639834 487479409 /nfs/dbraw/zinc/47/94/09/487479409.db2.gz GJQSGTGOZUXRAT-LOWVWBTDSA-N 0 3 247.386 3.132 20 0 BGADHN Cc1ncc([C@@H](C)N2C[C@H](C)C[C@H](C)C2)c(C)n1 ZINC000681639835 487479360 /nfs/dbraw/zinc/47/93/60/487479360.db2.gz GJQSGTGOZUXRAT-NTZNESFSSA-N 0 3 247.386 3.132 20 0 BGADHN Cc1ncc([C@H](C)N2C[C@H](C)C[C@@H](C)C2)c(C)n1 ZINC000681639836 487479430 /nfs/dbraw/zinc/47/94/30/487479430.db2.gz GJQSGTGOZUXRAT-WZRBSPASSA-N 0 3 247.386 3.132 20 0 BGADHN Cc1ncc([C@@H](C)N(C)CCC(C)C)c(C)n1 ZINC000681661714 487834144 /nfs/dbraw/zinc/83/41/44/487834144.db2.gz RERAEMJJJMOCDT-GFCCVEGCSA-N 0 3 235.375 3.132 20 0 BGADHN Cc1ncc([C@H](C)N(C)CCC(C)C)c(C)n1 ZINC000681661715 487834153 /nfs/dbraw/zinc/83/41/53/487834153.db2.gz RERAEMJJJMOCDT-LBPRGKRZSA-N 0 3 235.375 3.132 20 0 BGADHN CC[C@H](C)CN(C)[C@H](C)c1cnc(C)nc1C ZINC000681672330 487836299 /nfs/dbraw/zinc/83/62/99/487836299.db2.gz ZEWBIQPVWXJYNC-CMPLNLGQSA-N 0 3 235.375 3.132 20 0 BGADHN CC[C@H](C)CN(C)[C@@H](C)c1cnc(C)nc1C ZINC000681672331 487835849 /nfs/dbraw/zinc/83/58/49/487835849.db2.gz ZEWBIQPVWXJYNC-JQWIXIFHSA-N 0 3 235.375 3.132 20 0 BGADHN CC[C@@H](C)CN(C)[C@@H](C)c1cnc(C)nc1C ZINC000681672332 487835787 /nfs/dbraw/zinc/83/57/87/487835787.db2.gz ZEWBIQPVWXJYNC-PWSUYJOCSA-N 0 3 235.375 3.132 20 0 BGADHN CC[C@@H](C)CN(C)[C@H](C)c1cnc(C)nc1C ZINC000681672333 487835973 /nfs/dbraw/zinc/83/59/73/487835973.db2.gz ZEWBIQPVWXJYNC-ZYHUDNBSSA-N 0 3 235.375 3.132 20 0 BGADHN CC[C@@H]1CCCN([C@@H](C)c2cnc(C)nc2C)C1 ZINC000681672549 487836351 /nfs/dbraw/zinc/83/63/51/487836351.db2.gz LRHQDZZEVDMPGF-GXTWGEPZSA-N 0 3 247.386 3.276 20 0 BGADHN CC[C@H]1CCCN([C@@H](C)c2cnc(C)nc2C)C1 ZINC000681672554 487836550 /nfs/dbraw/zinc/83/65/50/487836550.db2.gz LRHQDZZEVDMPGF-JSGCOSHPSA-N 0 3 247.386 3.276 20 0 BGADHN CC[C@H]1CCCN([C@H](C)c2cnc(C)nc2C)C1 ZINC000681672556 487836380 /nfs/dbraw/zinc/83/63/80/487836380.db2.gz LRHQDZZEVDMPGF-OCCSQVGLSA-N 0 3 247.386 3.276 20 0 BGADHN CC[C@@H]1CCCN([C@H](C)c2cnc(C)nc2C)C1 ZINC000681672558 487836641 /nfs/dbraw/zinc/83/66/41/487836641.db2.gz LRHQDZZEVDMPGF-TZMCWYRMSA-N 0 3 247.386 3.276 20 0 BGADHN Cc1ncc([C@@H](C)N2CCCC(C)(C)C2)c(C)n1 ZINC000681674757 487838415 /nfs/dbraw/zinc/83/84/15/487838415.db2.gz SJMSYUASHGEYLA-GFCCVEGCSA-N 0 3 247.386 3.276 20 0 BGADHN Cc1ncc([C@H](C)N2CCCC(C)(C)C2)c(C)n1 ZINC000681674760 487838387 /nfs/dbraw/zinc/83/83/87/487838387.db2.gz SJMSYUASHGEYLA-LBPRGKRZSA-N 0 3 247.386 3.276 20 0 BGADHN CCC[C@@H](C)N1CCOc2ccccc2C1 ZINC000681681747 487838935 /nfs/dbraw/zinc/83/89/35/487838935.db2.gz HZEPDWLNPAIWSU-GFCCVEGCSA-N 0 3 219.328 3.070 20 0 BGADHN CCC[C@H](C)N1CCOc2ccccc2C1 ZINC000681681748 487838952 /nfs/dbraw/zinc/83/89/52/487838952.db2.gz HZEPDWLNPAIWSU-LBPRGKRZSA-N 0 3 219.328 3.070 20 0 BGADHN CC(C)C[C@@H](C)N1CCOc2ccccc2C1 ZINC000681682181 487839173 /nfs/dbraw/zinc/83/91/73/487839173.db2.gz MHOKVVLFEREBBC-CYBMUJFWSA-N 0 3 233.355 3.316 20 0 BGADHN CC(C)C[C@H](C)N1CCOc2ccccc2C1 ZINC000681682183 487838769 /nfs/dbraw/zinc/83/87/69/487838769.db2.gz MHOKVVLFEREBBC-ZDUSSCGKSA-N 0 3 233.355 3.316 20 0 BGADHN Cc1ncc([C@@H](C)N(C)CC(C)(C)C)c(C)n1 ZINC000681682448 487839529 /nfs/dbraw/zinc/83/95/29/487839529.db2.gz QBJJDUVJMIOMMX-LLVKDONJSA-N 0 3 235.375 3.132 20 0 BGADHN Cc1ncc([C@H](C)N(C)CC(C)(C)C)c(C)n1 ZINC000681682449 487839055 /nfs/dbraw/zinc/83/90/55/487839055.db2.gz QBJJDUVJMIOMMX-NSHDSACASA-N 0 3 235.375 3.132 20 0 BGADHN CCC1CCN([C@H](C)c2cnc(C)nc2C)CC1 ZINC000681682802 487838880 /nfs/dbraw/zinc/83/88/80/487838880.db2.gz UCLPRQIHVHTEIP-GFCCVEGCSA-N 0 3 247.386 3.276 20 0 BGADHN CCC1CCN([C@@H](C)c2cnc(C)nc2C)CC1 ZINC000681682803 487838725 /nfs/dbraw/zinc/83/87/25/487838725.db2.gz UCLPRQIHVHTEIP-LBPRGKRZSA-N 0 3 247.386 3.276 20 0 BGADHN C[C@@H]1CN([C@H]2CCc3ccccc32)CC(C)(C)O1 ZINC000681684152 487840302 /nfs/dbraw/zinc/84/03/02/487840302.db2.gz KIOHBVUWFOSVQS-DOMZBBRYSA-N 0 3 245.366 3.173 20 0 BGADHN C[C@@H]1CN([C@@H]2CCc3ccccc32)CC(C)(C)O1 ZINC000681684154 487840884 /nfs/dbraw/zinc/84/08/84/487840884.db2.gz KIOHBVUWFOSVQS-IUODEOHRSA-N 0 3 245.366 3.173 20 0 BGADHN C[C@H]1CN([C@@H]2CCc3ccccc32)CC(C)(C)O1 ZINC000681684156 487840366 /nfs/dbraw/zinc/84/03/66/487840366.db2.gz KIOHBVUWFOSVQS-SWLSCSKDSA-N 0 3 245.366 3.173 20 0 BGADHN C[C@H]1CN([C@H]2CCc3ccccc32)CC(C)(C)O1 ZINC000681684157 487840556 /nfs/dbraw/zinc/84/05/56/487840556.db2.gz KIOHBVUWFOSVQS-WFASDCNBSA-N 0 3 245.366 3.173 20 0 BGADHN CC[C@@H]1CN([C@H]2CCc3ccccc32)C[C@H](C)O1 ZINC000681687765 487840451 /nfs/dbraw/zinc/84/04/51/487840451.db2.gz NYUPMJLXDODPDT-BJJXKVORSA-N 0 3 245.366 3.173 20 0 BGADHN CC[C@@H]1CN([C@@H]2CCc3ccccc32)C[C@H](C)O1 ZINC000681687767 487840660 /nfs/dbraw/zinc/84/06/60/487840660.db2.gz NYUPMJLXDODPDT-JGGQBBKZSA-N 0 3 245.366 3.173 20 0 BGADHN CC[C@@H]1CN([C@@H]2CCc3ccccc32)C[C@@H](C)O1 ZINC000681687769 487840360 /nfs/dbraw/zinc/84/03/60/487840360.db2.gz NYUPMJLXDODPDT-XNRPHZJLSA-N 0 3 245.366 3.173 20 0 BGADHN CC[C@@H]1CN([C@H]2CCc3ccccc32)C[C@@H](C)O1 ZINC000681687772 487840401 /nfs/dbraw/zinc/84/04/01/487840401.db2.gz NYUPMJLXDODPDT-XPKDYRNWSA-N 0 3 245.366 3.173 20 0 BGADHN CCCC[C@@H](C)N(C)CCC(F)(F)F ZINC000681688723 487840474 /nfs/dbraw/zinc/84/04/74/487840474.db2.gz UCCYOKMZKRKKAS-SECBINFHSA-N 0 3 211.271 3.449 20 0 BGADHN CCCC[C@H](C)N(C)CCC(F)(F)F ZINC000681688747 487840638 /nfs/dbraw/zinc/84/06/38/487840638.db2.gz UCCYOKMZKRKKAS-VIFPVBQESA-N 0 3 211.271 3.449 20 0 BGADHN CCCc1ccc(CN[C@@H](C)COCC)cc1 ZINC000681698010 487843008 /nfs/dbraw/zinc/84/30/08/487843008.db2.gz NCQZUZHCIFANSH-ZDUSSCGKSA-N 0 3 235.371 3.154 20 0 BGADHN Cc1ccc(CN(C)CCCC(C)C)nc1 ZINC000681712192 487847933 /nfs/dbraw/zinc/84/79/33/487847933.db2.gz QAQVSBDQRIJTDC-UHFFFAOYSA-N 0 3 220.360 3.258 20 0 BGADHN C(c1nc2c(s1)CCC2)N1CC[C@@H]2CCC[C@H]21 ZINC000681755152 487855646 /nfs/dbraw/zinc/85/56/46/487855646.db2.gz OWMNYHXPVKDNLO-CMPLNLGQSA-N 0 3 248.395 3.006 20 0 BGADHN C(c1nc2c(s1)CCC2)N1CC[C@@H]2CCC[C@@H]21 ZINC000681755153 487855737 /nfs/dbraw/zinc/85/57/37/487855737.db2.gz OWMNYHXPVKDNLO-JQWIXIFHSA-N 0 3 248.395 3.006 20 0 BGADHN C(c1nc2c(s1)CCC2)N1CC[C@H]2CCC[C@@H]21 ZINC000681755154 487855809 /nfs/dbraw/zinc/85/58/09/487855809.db2.gz OWMNYHXPVKDNLO-PWSUYJOCSA-N 0 3 248.395 3.006 20 0 BGADHN C(c1nc2c(s1)CCC2)N1CC[C@H]2CCC[C@H]21 ZINC000681755155 487855952 /nfs/dbraw/zinc/85/59/52/487855952.db2.gz OWMNYHXPVKDNLO-ZYHUDNBSSA-N 0 3 248.395 3.006 20 0 BGADHN c1nc(C2CC2)sc1CN1CC[C@@H]2CCC[C@@H]21 ZINC000681755225 487855941 /nfs/dbraw/zinc/85/59/41/487855941.db2.gz QWPVHGRPTOQPOY-GWCFXTLKSA-N 0 3 248.395 3.395 20 0 BGADHN c1nc(C2CC2)sc1CN1CC[C@@H]2CCC[C@H]21 ZINC000681755226 487856002 /nfs/dbraw/zinc/85/60/02/487856002.db2.gz QWPVHGRPTOQPOY-GXFFZTMASA-N 0 3 248.395 3.395 20 0 BGADHN c1nc(C2CC2)sc1CN1CC[C@H]2CCC[C@@H]21 ZINC000681755227 487855826 /nfs/dbraw/zinc/85/58/26/487855826.db2.gz QWPVHGRPTOQPOY-MFKMUULPSA-N 0 3 248.395 3.395 20 0 BGADHN c1nc(C2CC2)sc1CN1CC[C@H]2CCC[C@H]21 ZINC000681755228 487855661 /nfs/dbraw/zinc/85/56/61/487855661.db2.gz QWPVHGRPTOQPOY-ZWNOBZJWSA-N 0 3 248.395 3.395 20 0 BGADHN CC(C)(CC(F)(F)F)NCc1cccc(O)c1 ZINC000681989087 487620603 /nfs/dbraw/zinc/62/06/03/487620603.db2.gz QNONFWXITNWABU-UHFFFAOYSA-N 0 3 247.260 3.213 20 0 BGADHN Cc1ncccc1CNC(C)(C)CC(F)(F)F ZINC000681989763 487875870 /nfs/dbraw/zinc/87/58/70/487875870.db2.gz QYVGABJQUJDMKM-UHFFFAOYSA-N 0 3 246.276 3.211 20 0 BGADHN C[C@@H]1CCN(CCCC(C)(C)C)C[C@@H]1F ZINC000682029747 487884164 /nfs/dbraw/zinc/88/41/64/487884164.db2.gz VDIDQZSNCNXPMW-NEPJUHHUSA-N 0 3 215.356 3.493 20 0 BGADHN C[C@H]1CCN(CCCC(C)(C)C)C[C@H]1F ZINC000682029748 487883938 /nfs/dbraw/zinc/88/39/38/487883938.db2.gz VDIDQZSNCNXPMW-NWDGAFQWSA-N 0 3 215.356 3.493 20 0 BGADHN C[C@H]1CCN(CCCC(C)(C)C)C[C@@H]1F ZINC000682029749 487883430 /nfs/dbraw/zinc/88/34/30/487883430.db2.gz VDIDQZSNCNXPMW-RYUDHWBXSA-N 0 3 215.356 3.493 20 0 BGADHN C[C@@H]1CCN(CCCC(C)(C)C)C[C@H]1F ZINC000682029750 487883611 /nfs/dbraw/zinc/88/36/11/487883611.db2.gz VDIDQZSNCNXPMW-VXGBXAGGSA-N 0 3 215.356 3.493 20 0 BGADHN CCN(Cc1cc(C)n(C)n1)[C@H]1CCCC[C@H]1C ZINC000682031353 487884684 /nfs/dbraw/zinc/88/46/84/487884684.db2.gz INYKQCVGJOTWKC-DOMZBBRYSA-N 0 3 249.402 3.129 20 0 BGADHN CCN(Cc1cc(C)n(C)n1)[C@@H]1CCCC[C@H]1C ZINC000682031354 487884777 /nfs/dbraw/zinc/88/47/77/487884777.db2.gz INYKQCVGJOTWKC-IUODEOHRSA-N 0 3 249.402 3.129 20 0 BGADHN CCN(Cc1cc(C)n(C)n1)[C@@H]1CCCC[C@@H]1C ZINC000682031355 487884588 /nfs/dbraw/zinc/88/45/88/487884588.db2.gz INYKQCVGJOTWKC-SWLSCSKDSA-N 0 3 249.402 3.129 20 0 BGADHN CCN(Cc1cc(C)n(C)n1)[C@H]1CCCC[C@@H]1C ZINC000682031356 487883694 /nfs/dbraw/zinc/88/36/94/487883694.db2.gz INYKQCVGJOTWKC-WFASDCNBSA-N 0 3 249.402 3.129 20 0 BGADHN Cc1ncc([C@@H](C)N(C)CC2CCCC2)c(C)n1 ZINC000682069058 487889507 /nfs/dbraw/zinc/88/95/07/487889507.db2.gz JHNBYIJKVZMBRZ-GFCCVEGCSA-N 0 3 247.386 3.276 20 0 BGADHN Cc1ncc([C@H](C)N(C)CC2CCCC2)c(C)n1 ZINC000682069059 487889321 /nfs/dbraw/zinc/88/93/21/487889321.db2.gz JHNBYIJKVZMBRZ-LBPRGKRZSA-N 0 3 247.386 3.276 20 0 BGADHN Cc1ncc([C@@H](C)N2CCC3(CCC3)C2)c(C)n1 ZINC000682069971 487890760 /nfs/dbraw/zinc/89/07/60/487890760.db2.gz AUIDRHZYLXADRS-GFCCVEGCSA-N 0 3 245.370 3.030 20 0 BGADHN Cc1ncc([C@H](C)N2CCC3(CCC3)C2)c(C)n1 ZINC000682069972 487983639 /nfs/dbraw/zinc/98/36/39/487983639.db2.gz AUIDRHZYLXADRS-LBPRGKRZSA-N 0 3 245.370 3.030 20 0 BGADHN Cc1ncc([C@H](C)N2CC[C@H](C)[C@@H](C)C2)c(C)n1 ZINC000682070015 487983391 /nfs/dbraw/zinc/98/33/91/487983391.db2.gz BVFQXRRYJXCJRY-GVXVVHGQSA-N 0 3 247.386 3.132 20 0 BGADHN Cc1ncc([C@H](C)N2CC[C@H](C)[C@H](C)C2)c(C)n1 ZINC000682070016 487983496 /nfs/dbraw/zinc/98/34/96/487983496.db2.gz BVFQXRRYJXCJRY-LOWVWBTDSA-N 0 3 247.386 3.132 20 0 BGADHN Cc1ncc([C@H](C)N2CC[C@@H](C)[C@@H](C)C2)c(C)n1 ZINC000682070017 487983298 /nfs/dbraw/zinc/98/32/98/487983298.db2.gz BVFQXRRYJXCJRY-MDZLAQPJSA-N 0 3 247.386 3.132 20 0 BGADHN Cc1ncc([C@H](C)N2CC[C@@H](C)[C@H](C)C2)c(C)n1 ZINC000682070018 487983415 /nfs/dbraw/zinc/98/34/15/487983415.db2.gz BVFQXRRYJXCJRY-WZRBSPASSA-N 0 3 247.386 3.132 20 0 BGADHN CN(Cc1cc[nH]n1)C1CC(C)(C)CC(C)(C)C1 ZINC000682071013 487891990 /nfs/dbraw/zinc/89/19/90/487891990.db2.gz NAKJPTPYGAOCNS-UHFFFAOYSA-N 0 3 249.402 3.446 20 0 BGADHN Cc1ncc([C@@H](C)N2CCC(C)(C)CC2)c(C)n1 ZINC000682072317 487894602 /nfs/dbraw/zinc/89/46/02/487894602.db2.gz IPFSSXDJPVPIAQ-GFCCVEGCSA-N 0 3 247.386 3.276 20 0 BGADHN Cc1ncc([C@H](C)N2CCC(C)(C)CC2)c(C)n1 ZINC000682072318 487894809 /nfs/dbraw/zinc/89/48/09/487894809.db2.gz IPFSSXDJPVPIAQ-LBPRGKRZSA-N 0 3 247.386 3.276 20 0 BGADHN Cc1ncc([C@@H](C)N2CCCCCC2)c(C)n1 ZINC000682073372 487896208 /nfs/dbraw/zinc/89/62/08/487896208.db2.gz NHAVNGKDZBCQKY-GFCCVEGCSA-N 0 3 233.359 3.030 20 0 BGADHN Cc1ncc([C@H](C)N2CCCCCC2)c(C)n1 ZINC000682073373 487896265 /nfs/dbraw/zinc/89/62/65/487896265.db2.gz NHAVNGKDZBCQKY-LBPRGKRZSA-N 0 3 233.359 3.030 20 0 BGADHN CC[C@@]1(C)CCN([C@H](C)c2cnc(C)nc2C)C1 ZINC000682074610 487897403 /nfs/dbraw/zinc/89/74/03/487897403.db2.gz QISZUWJFFFUJDK-DOMZBBRYSA-N 0 3 247.386 3.276 20 0 BGADHN CC[C@]1(C)CCN([C@H](C)c2cnc(C)nc2C)C1 ZINC000682074611 487898068 /nfs/dbraw/zinc/89/80/68/487898068.db2.gz QISZUWJFFFUJDK-IUODEOHRSA-N 0 3 247.386 3.276 20 0 BGADHN CC[C@]1(C)CCN([C@@H](C)c2cnc(C)nc2C)C1 ZINC000682074612 487989327 /nfs/dbraw/zinc/98/93/27/487989327.db2.gz QISZUWJFFFUJDK-SWLSCSKDSA-N 0 3 247.386 3.276 20 0 BGADHN CC[C@@]1(C)CCN([C@@H](C)c2cnc(C)nc2C)C1 ZINC000682074614 487989996 /nfs/dbraw/zinc/98/99/96/487989996.db2.gz QISZUWJFFFUJDK-WFASDCNBSA-N 0 3 247.386 3.276 20 0 BGADHN CC(C)[C@@H]1CN([C@@H]2CCc3ccccc32)CCO1 ZINC000682074721 487898026 /nfs/dbraw/zinc/89/80/26/487898026.db2.gz FMUAIZWETIUCOS-CVEARBPZSA-N 0 3 245.366 3.031 20 0 BGADHN CC(C)[C@@H]1CN([C@H]2CCc3ccccc32)CCO1 ZINC000682074723 487897433 /nfs/dbraw/zinc/89/74/33/487897433.db2.gz FMUAIZWETIUCOS-HOTGVXAUSA-N 0 3 245.366 3.031 20 0 BGADHN CC(C)[C@H]1CN([C@@H]2CCc3ccccc32)CCO1 ZINC000682074725 487897494 /nfs/dbraw/zinc/89/74/94/487897494.db2.gz FMUAIZWETIUCOS-HZPDHXFCSA-N 0 3 245.366 3.031 20 0 BGADHN CC(C)[C@H]1CN([C@H]2CCc3ccccc32)CCO1 ZINC000682074726 487898087 /nfs/dbraw/zinc/89/80/87/487898087.db2.gz FMUAIZWETIUCOS-JKSUJKDBSA-N 0 3 245.366 3.031 20 0 BGADHN Cc1ncc([C@@H](C)N2CCCC3(CC3)C2)c(C)n1 ZINC000682075519 487899168 /nfs/dbraw/zinc/89/91/68/487899168.db2.gz YBKYSCCYQZCMMB-GFCCVEGCSA-N 0 3 245.370 3.030 20 0 BGADHN Cc1ncc([C@H](C)N2CCCC3(CC3)C2)c(C)n1 ZINC000682075521 487899754 /nfs/dbraw/zinc/89/97/54/487899754.db2.gz YBKYSCCYQZCMMB-LBPRGKRZSA-N 0 3 245.370 3.030 20 0 BGADHN C[C@@H]1CCN([C@@H]2CCc3ccccc32)C[C@@H]1F ZINC000682078007 487902297 /nfs/dbraw/zinc/90/22/97/487902297.db2.gz UHLGPSQOWIZDMC-BYCMXARLSA-N 0 3 233.330 3.354 20 0 BGADHN C[C@@H]1CCN([C@H]2CCc3ccccc32)C[C@H]1F ZINC000682078008 487902838 /nfs/dbraw/zinc/90/28/38/487902838.db2.gz UHLGPSQOWIZDMC-DFBGVHRSSA-N 0 3 233.330 3.354 20 0 BGADHN C[C@@H]1CCN([C@@H]2CCc3ccccc32)C[C@H]1F ZINC000682078009 487902558 /nfs/dbraw/zinc/90/25/58/487902558.db2.gz UHLGPSQOWIZDMC-KCPJHIHWSA-N 0 3 233.330 3.354 20 0 BGADHN C[C@@H]1CCN([C@H]2CCc3ccccc32)C[C@@H]1F ZINC000682078010 487902120 /nfs/dbraw/zinc/90/21/20/487902120.db2.gz UHLGPSQOWIZDMC-UGFHNGPFSA-N 0 3 233.330 3.354 20 0 BGADHN C[C@H](c1ccc2c(c1)CCC2)N1CC=CCC1 ZINC000682078426 487903661 /nfs/dbraw/zinc/90/36/61/487903661.db2.gz YIOIIDPMTPPKGZ-CYBMUJFWSA-N 0 3 227.351 3.498 20 0 BGADHN C[C@@H](c1ccc2c(c1)CCC2)N1CC=CCC1 ZINC000682078427 487903315 /nfs/dbraw/zinc/90/33/15/487903315.db2.gz YIOIIDPMTPPKGZ-ZDUSSCGKSA-N 0 3 227.351 3.498 20 0 BGADHN CCc1ccccc1CN(C)CCOC(C)(C)C ZINC000682085629 487905593 /nfs/dbraw/zinc/90/55/93/487905593.db2.gz YELWMLXAJPSIFK-UHFFFAOYSA-N 0 3 249.398 3.496 20 0 BGADHN CCc1ccccc1CN1CC=CCC1 ZINC000682086180 487907687 /nfs/dbraw/zinc/90/76/87/487907687.db2.gz KAAHBMHLSNCNGD-UHFFFAOYSA-N 0 3 201.313 3.011 20 0 BGADHN Cc1ccc(F)cc1CN1CC[C@H](C(F)F)C1 ZINC000682086340 487907595 /nfs/dbraw/zinc/90/75/95/487907595.db2.gz SHIYDUVNOBJMGM-JTQLQIEISA-N 0 3 243.272 3.221 20 0 BGADHN Cc1ccc(F)cc1CN1CC[C@@H](C(F)F)C1 ZINC000682086341 487906947 /nfs/dbraw/zinc/90/69/47/487906947.db2.gz SHIYDUVNOBJMGM-SNVBAGLBSA-N 0 3 243.272 3.221 20 0 BGADHN CC[C@H](NCc1cc(C)[nH]n1)c1cccc(F)c1 ZINC000682135570 487911868 /nfs/dbraw/zinc/91/18/68/487911868.db2.gz UXZLTMYPABIAPD-AWEZNQCLSA-N 0 3 247.317 3.098 20 0 BGADHN CC[C@@H](NCc1cc(C)[nH]n1)c1cccc(F)c1 ZINC000682135571 487911882 /nfs/dbraw/zinc/91/18/82/487911882.db2.gz UXZLTMYPABIAPD-CQSZACIVSA-N 0 3 247.317 3.098 20 0 BGADHN COc1cnccc1[C@H](C)N[C@H](C)CC1CCC1 ZINC000682143466 487912936 /nfs/dbraw/zinc/91/29/36/487912936.db2.gz IXPBGWBAJMQDPT-NEPJUHHUSA-N 0 3 248.370 3.320 20 0 BGADHN COc1cnccc1[C@@H](C)N[C@@H](C)CC1CCC1 ZINC000682143467 487912897 /nfs/dbraw/zinc/91/28/97/487912897.db2.gz IXPBGWBAJMQDPT-NWDGAFQWSA-N 0 3 248.370 3.320 20 0 BGADHN COc1cnccc1[C@H](C)N[C@@H](C)CC1CCC1 ZINC000682143468 487912969 /nfs/dbraw/zinc/91/29/69/487912969.db2.gz IXPBGWBAJMQDPT-RYUDHWBXSA-N 0 3 248.370 3.320 20 0 BGADHN COc1cnccc1[C@@H](C)N[C@H](C)CC1CCC1 ZINC000682143469 487912783 /nfs/dbraw/zinc/91/27/83/487912783.db2.gz IXPBGWBAJMQDPT-VXGBXAGGSA-N 0 3 248.370 3.320 20 0 BGADHN CC(C)CCCN1CCOc2ccccc2C1 ZINC000682152566 487996489 /nfs/dbraw/zinc/99/64/89/487996489.db2.gz SLIMGCVNORNUNQ-UHFFFAOYSA-N 0 3 233.355 3.317 20 0 BGADHN CCCC[C@@H](CC)CCN(C)Cc1cn[nH]c1 ZINC000682154868 487916991 /nfs/dbraw/zinc/91/69/91/487916991.db2.gz GWPNGZYBRASHKM-CYBMUJFWSA-N 0 3 237.391 3.448 20 0 BGADHN CCCC[C@H](CC)CCN(C)Cc1cn[nH]c1 ZINC000682154870 487917364 /nfs/dbraw/zinc/91/73/64/487917364.db2.gz GWPNGZYBRASHKM-ZDUSSCGKSA-N 0 3 237.391 3.448 20 0 BGADHN CCCC[C@@H](CC)CCN1CCc2c[nH]nc2C1 ZINC000682157375 487918254 /nfs/dbraw/zinc/91/82/54/487918254.db2.gz TWPVVNSFSFOVGT-CYBMUJFWSA-N 0 3 249.402 3.374 20 0 BGADHN CCCC[C@H](CC)CCN1CCc2c[nH]nc2C1 ZINC000682157376 487918315 /nfs/dbraw/zinc/91/83/15/487918315.db2.gz TWPVVNSFSFOVGT-ZDUSSCGKSA-N 0 3 249.402 3.374 20 0 BGADHN Cc1ccc2cc(CN3CC=CCC3)ccc2n1 ZINC000682163907 487920011 /nfs/dbraw/zinc/92/00/11/487920011.db2.gz FXHZSPXMFKHFIA-UHFFFAOYSA-N 0 3 238.334 3.305 20 0 BGADHN CC(C)CCCN1CC[C@@H](C)[C@@H](F)C1 ZINC000682163967 487920558 /nfs/dbraw/zinc/92/05/58/487920558.db2.gz GEYXYRBSECPHJG-NEPJUHHUSA-N 0 3 201.329 3.103 20 0 BGADHN CC(C)CCCN1CC[C@H](C)[C@H](F)C1 ZINC000682163969 487920066 /nfs/dbraw/zinc/92/00/66/487920066.db2.gz GEYXYRBSECPHJG-NWDGAFQWSA-N 0 3 201.329 3.103 20 0 BGADHN CC(C)CCCN1CC[C@H](C)[C@@H](F)C1 ZINC000682163971 487920405 /nfs/dbraw/zinc/92/04/05/487920405.db2.gz GEYXYRBSECPHJG-RYUDHWBXSA-N 0 3 201.329 3.103 20 0 BGADHN CC(C)CCCN1CC[C@@H](C)[C@H](F)C1 ZINC000682163974 487920675 /nfs/dbraw/zinc/92/06/75/487920675.db2.gz GEYXYRBSECPHJG-VXGBXAGGSA-N 0 3 201.329 3.103 20 0 BGADHN CC(C)CCCN1CCC[C@@H](OC(F)F)C1 ZINC000682164659 487910819 /nfs/dbraw/zinc/91/08/19/487910819.db2.gz SNZSYGHOWPLJHQ-LLVKDONJSA-N 0 3 235.318 3.126 20 0 BGADHN CC(C)CCCN1CCC[C@H](OC(F)F)C1 ZINC000682164660 487910768 /nfs/dbraw/zinc/91/07/68/487910768.db2.gz SNZSYGHOWPLJHQ-NSHDSACASA-N 0 3 235.318 3.126 20 0 BGADHN Cc1cncc(CN(C)[C@H](C)C(C)(C)C)c1 ZINC000682366997 487940762 /nfs/dbraw/zinc/94/07/62/487940762.db2.gz XUJPQPPQBFDYQT-GFCCVEGCSA-N 0 3 220.360 3.256 20 0 BGADHN Cc1cncc(CN(C)[C@@H](C)C(C)(C)C)c1 ZINC000682367007 487941452 /nfs/dbraw/zinc/94/14/52/487941452.db2.gz XUJPQPPQBFDYQT-LBPRGKRZSA-N 0 3 220.360 3.256 20 0 BGADHN Cc1cncc(CN2C3CCCC2CCC3)c1 ZINC000682367292 488014996 /nfs/dbraw/zinc/01/49/96/488014996.db2.gz JTUQLEOQXRCKAR-UHFFFAOYSA-N 0 3 230.355 3.297 20 0 BGADHN CCC[C@@H](NCc1cc(C)[nH]n1)c1ccsc1 ZINC000682377125 488019194 /nfs/dbraw/zinc/01/91/94/488019194.db2.gz XOWKPARSROOBGA-CYBMUJFWSA-N 0 3 249.383 3.411 20 0 BGADHN CCC[C@H](NCc1cc(C)[nH]n1)c1ccsc1 ZINC000682377126 488019036 /nfs/dbraw/zinc/01/90/36/488019036.db2.gz XOWKPARSROOBGA-ZDUSSCGKSA-N 0 3 249.383 3.411 20 0 BGADHN Oc1ccc(CN2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000682403193 487947797 /nfs/dbraw/zinc/94/77/97/487947797.db2.gz BKRSXRKLSWNQPG-HNNXBMFYSA-N 0 3 242.322 3.057 20 0 BGADHN Oc1ccc(CN2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC000682403195 487948225 /nfs/dbraw/zinc/94/82/25/487948225.db2.gz BKRSXRKLSWNQPG-OAHLLOKOSA-N 0 3 242.322 3.057 20 0 BGADHN Oc1ccc(CN2CC[C@H]2c2ccccc2)cc1 ZINC000682404008 487948211 /nfs/dbraw/zinc/94/82/11/487948211.db2.gz RQUGNIQQZAYKNI-INIZCTEOSA-N 0 3 239.318 3.339 20 0 BGADHN Oc1ccc(CN2CC[C@@H]2c2ccccc2)cc1 ZINC000682404009 487947649 /nfs/dbraw/zinc/94/76/49/487947649.db2.gz RQUGNIQQZAYKNI-MRXNPFEDSA-N 0 3 239.318 3.339 20 0 BGADHN CC[C@@H](CC(F)(F)F)NCc1ccc(O)cc1 ZINC000682405762 487949151 /nfs/dbraw/zinc/94/91/51/487949151.db2.gz BASJXHCTXHPBPX-JTQLQIEISA-N 0 3 247.260 3.213 20 0 BGADHN CC[C@H](CC(F)(F)F)NCc1ccc(O)cc1 ZINC000682405763 487948911 /nfs/dbraw/zinc/94/89/11/487948911.db2.gz BASJXHCTXHPBPX-SNVBAGLBSA-N 0 3 247.260 3.213 20 0 BGADHN C[C@H]1C[N@@H+](Cc2ccc([O-])cc2)CC(C)(C)C1 ZINC000682406135 487949538 /nfs/dbraw/zinc/94/95/38/487949538.db2.gz BAWFAVLERKIGCZ-GFCCVEGCSA-N 0 3 233.355 3.260 20 0 BGADHN C[C@H]1C[N@H+](Cc2ccc([O-])cc2)CC(C)(C)C1 ZINC000682406135 487949534 /nfs/dbraw/zinc/94/95/34/487949534.db2.gz BAWFAVLERKIGCZ-GFCCVEGCSA-N 0 3 233.355 3.260 20 0 BGADHN C[C@@H]1C[N@@H+](Cc2ccc([O-])cc2)CC(C)(C)C1 ZINC000682406136 487948997 /nfs/dbraw/zinc/94/89/97/487948997.db2.gz BAWFAVLERKIGCZ-LBPRGKRZSA-N 0 3 233.355 3.260 20 0 BGADHN C[C@@H]1C[N@H+](Cc2ccc([O-])cc2)CC(C)(C)C1 ZINC000682406136 487948992 /nfs/dbraw/zinc/94/89/92/487948992.db2.gz BAWFAVLERKIGCZ-LBPRGKRZSA-N 0 3 233.355 3.260 20 0 BGADHN CC(C)(CC(F)(F)F)NCc1ccc(O)cc1 ZINC000682406837 487950506 /nfs/dbraw/zinc/95/05/06/487950506.db2.gz NMBXGCOATHQJFU-UHFFFAOYSA-N 0 3 247.260 3.213 20 0 BGADHN CC(C)(NCc1ccc(O)cc1)c1cccs1 ZINC000682407835 487950262 /nfs/dbraw/zinc/95/02/62/487950262.db2.gz ZIQVKWGKCJDBBX-UHFFFAOYSA-N 0 3 247.363 3.479 20 0 BGADHN Cc1ncc([C@H](C)N2CCC[C@H](C)CC2)c(C)n1 ZINC000682438349 487964231 /nfs/dbraw/zinc/96/42/31/487964231.db2.gz BXCJYOJCMMSYNG-AAEUAGOBSA-N 0 3 247.386 3.276 20 0 BGADHN Cc1ncc([C@@H](C)N2CCC[C@@H](C)CC2)c(C)n1 ZINC000682438350 487964026 /nfs/dbraw/zinc/96/40/26/487964026.db2.gz BXCJYOJCMMSYNG-DGCLKSJQSA-N 0 3 247.386 3.276 20 0 BGADHN Cc1ncc([C@@H](C)N2CCC[C@H](C)CC2)c(C)n1 ZINC000682438351 487963618 /nfs/dbraw/zinc/96/36/18/487963618.db2.gz BXCJYOJCMMSYNG-WCQYABFASA-N 0 3 247.386 3.276 20 0 BGADHN Cc1ncc([C@H](C)N2CCC[C@@H](C)CC2)c(C)n1 ZINC000682438353 487963743 /nfs/dbraw/zinc/96/37/43/487963743.db2.gz BXCJYOJCMMSYNG-YPMHNXCESA-N 0 3 247.386 3.276 20 0 BGADHN Cc1ccc(CN(CC[C@@H]2CCCO2)C2CC2)o1 ZINC000682517487 487975491 /nfs/dbraw/zinc/97/54/91/487975491.db2.gz BBDMAVRMCGONFX-AWEZNQCLSA-N 0 3 249.354 3.122 20 0 BGADHN Cc1ccc(CN(CC[C@H]2CCCO2)C2CC2)o1 ZINC000682517489 487975235 /nfs/dbraw/zinc/97/52/35/487975235.db2.gz BBDMAVRMCGONFX-CQSZACIVSA-N 0 3 249.354 3.122 20 0 BGADHN CCN(CCC(F)(F)F)CCC(C)(C)OC ZINC000682524551 487976221 /nfs/dbraw/zinc/97/62/21/487976221.db2.gz FDFKBIROPRILHW-UHFFFAOYSA-N 0 3 241.297 3.076 20 0 BGADHN CCO[C@H]1CCCN(Cc2cccc(CC)c2)C1 ZINC000682527855 487977205 /nfs/dbraw/zinc/97/72/05/487977205.db2.gz KXXAWJIMHSSWPY-INIZCTEOSA-N 0 3 247.382 3.250 20 0 BGADHN CCO[C@@H]1CCCN(Cc2cccc(CC)c2)C1 ZINC000682527856 487977547 /nfs/dbraw/zinc/97/75/47/487977547.db2.gz KXXAWJIMHSSWPY-MRXNPFEDSA-N 0 3 247.382 3.250 20 0 BGADHN CCc1cccc(CN(C)CCOC(C)(C)C)c1 ZINC000682530334 487977538 /nfs/dbraw/zinc/97/75/38/487977538.db2.gz KZSRIRJBMPMEEF-UHFFFAOYSA-N 0 3 249.398 3.496 20 0 BGADHN CCc1cccc(CN2CC[C@@H](C(F)F)C2)c1 ZINC000682531863 487978725 /nfs/dbraw/zinc/97/87/25/487978725.db2.gz XVRWWZGYAPMBTH-CYBMUJFWSA-N 0 3 239.309 3.336 20 0 BGADHN CCc1cccc(CN2CC[C@H](C(F)F)C2)c1 ZINC000682531864 487978809 /nfs/dbraw/zinc/97/88/09/487978809.db2.gz XVRWWZGYAPMBTH-ZDUSSCGKSA-N 0 3 239.309 3.336 20 0 BGADHN CCc1cccc(CN2CC=CCC2)c1 ZINC000682532732 488096636 /nfs/dbraw/zinc/09/66/36/488096636.db2.gz AAIDPKYYMIPDKX-UHFFFAOYSA-N 0 3 201.313 3.011 20 0 BGADHN Fc1cccc([C@@H]2CCN2CC[C@H]2CCCO2)c1 ZINC000682537180 487981466 /nfs/dbraw/zinc/98/14/66/487981466.db2.gz WFRQFRMTMGMBRQ-CABCVRRESA-N 0 3 249.329 3.142 20 0 BGADHN Fc1cccc([C@@H]2CCN2CC[C@@H]2CCCO2)c1 ZINC000682537181 488102945 /nfs/dbraw/zinc/10/29/45/488102945.db2.gz WFRQFRMTMGMBRQ-GJZGRUSLSA-N 0 3 249.329 3.142 20 0 BGADHN Fc1cccc([C@H]2CCN2CC[C@H]2CCCO2)c1 ZINC000682537182 488102605 /nfs/dbraw/zinc/10/26/05/488102605.db2.gz WFRQFRMTMGMBRQ-HUUCEWRRSA-N 0 3 249.329 3.142 20 0 BGADHN Fc1cccc([C@H]2CCN2CC[C@@H]2CCCO2)c1 ZINC000682537183 488102823 /nfs/dbraw/zinc/10/28/23/488102823.db2.gz WFRQFRMTMGMBRQ-LSDHHAIUSA-N 0 3 249.329 3.142 20 0 BGADHN CCOCCN(CC)Cc1ccc2[nH]ccc2c1 ZINC000682549228 487987858 /nfs/dbraw/zinc/98/78/58/487987858.db2.gz PIPUKKVDJLKMGE-UHFFFAOYSA-N 0 3 246.354 3.026 20 0 BGADHN c1n[nH]cc1CN1CCCC2(CCCCC2)CC1 ZINC000682556199 487988710 /nfs/dbraw/zinc/98/87/10/487988710.db2.gz FRUJUIUCZIMREQ-UHFFFAOYSA-N 0 3 247.386 3.346 20 0 BGADHN Cc1cc(CN([C@H](C)C(C)C)C2CC2)sn1 ZINC000682672794 488009041 /nfs/dbraw/zinc/00/90/41/488009041.db2.gz IDFGXTNFSSJGNO-LLVKDONJSA-N 0 3 238.400 3.460 20 0 BGADHN Cc1cc(CN([C@@H](C)C(C)C)C2CC2)sn1 ZINC000682672795 488008863 /nfs/dbraw/zinc/00/88/63/488008863.db2.gz IDFGXTNFSSJGNO-NSHDSACASA-N 0 3 238.400 3.460 20 0 BGADHN CCCN(Cc1cc(C)ns1)CC1CC1 ZINC000682672808 491081662 /nfs/dbraw/zinc/08/16/62/491081662.db2.gz IQYJYQOPQNVNDW-UHFFFAOYSA-N 0 3 224.373 3.074 20 0 BGADHN C[C@@H]1CCN(CCCCOC(C)(C)C)C[C@H]1F ZINC000682771640 488035852 /nfs/dbraw/zinc/03/58/52/488035852.db2.gz DYVADLKQFXNUSI-CHWSQXEVSA-N 0 3 245.382 3.262 20 0 BGADHN C[C@@H]1CCN(CCCCOC(C)(C)C)C[C@@H]1F ZINC000682771641 488036565 /nfs/dbraw/zinc/03/65/65/488036565.db2.gz DYVADLKQFXNUSI-OLZOCXBDSA-N 0 3 245.382 3.262 20 0 BGADHN C[C@H]1CCN(CCCCOC(C)(C)C)C[C@H]1F ZINC000682771642 488036651 /nfs/dbraw/zinc/03/66/51/488036651.db2.gz DYVADLKQFXNUSI-QWHCGFSZSA-N 0 3 245.382 3.262 20 0 BGADHN C[C@H]1CCN(CCCCOC(C)(C)C)C[C@@H]1F ZINC000682771643 488036042 /nfs/dbraw/zinc/03/60/42/488036042.db2.gz DYVADLKQFXNUSI-STQMWFEESA-N 0 3 245.382 3.262 20 0 BGADHN CCn1ccc(CN(C)Cc2ccc(F)cc2)c1 ZINC000682777524 488037816 /nfs/dbraw/zinc/03/78/16/488037816.db2.gz BRVCZINOWKQFHN-UHFFFAOYSA-N 0 3 246.329 3.279 20 0 BGADHN CCn1ccc(CN(C)Cc2ccccc2)c1 ZINC000682777762 488039392 /nfs/dbraw/zinc/03/93/92/488039392.db2.gz IEHMMXHVRIJOOZ-UHFFFAOYSA-N 0 3 228.339 3.140 20 0 BGADHN CCn1ccc(CN(C)Cc2ccc(C)cc2)c1 ZINC000682777785 488039663 /nfs/dbraw/zinc/03/96/63/488039663.db2.gz IWYDEBNNDOONHD-UHFFFAOYSA-N 0 3 242.366 3.448 20 0 BGADHN CCn1ccc(CN(C)Cc2ccccc2C)c1 ZINC000682778003 488039494 /nfs/dbraw/zinc/03/94/94/488039494.db2.gz PUECXOJFYRCFLP-UHFFFAOYSA-N 0 3 242.366 3.448 20 0 BGADHN CCn1ccc(CN(C)Cc2cccc(C)c2)c1 ZINC000682778268 488038507 /nfs/dbraw/zinc/03/85/07/488038507.db2.gz ZXHAYABAVDDRHU-UHFFFAOYSA-N 0 3 242.366 3.448 20 0 BGADHN CCC[C@@H](C)CN(C)Cc1ccc(C)cn1 ZINC000682786870 488040755 /nfs/dbraw/zinc/04/07/55/488040755.db2.gz CVRZJCMLRMLOTJ-CYBMUJFWSA-N 0 3 220.360 3.258 20 0 BGADHN CCC[C@H](C)CN(C)Cc1ccc(C)cn1 ZINC000682786871 488040843 /nfs/dbraw/zinc/04/08/43/488040843.db2.gz CVRZJCMLRMLOTJ-ZDUSSCGKSA-N 0 3 220.360 3.258 20 0 BGADHN Cc1ccc(CN(C)CCC(C)(C)C)nc1 ZINC000682788455 488040894 /nfs/dbraw/zinc/04/08/94/488040894.db2.gz PJXYLWWITLEWAN-UHFFFAOYSA-N 0 3 220.360 3.258 20 0 BGADHN CCC(CC)CN(C)Cc1ccc(C)cn1 ZINC000682788782 488042110 /nfs/dbraw/zinc/04/21/10/488042110.db2.gz ZMOSSBCZBMTKLF-UHFFFAOYSA-N 0 3 220.360 3.258 20 0 BGADHN CCC[C@@H](C)NCc1nccn1-c1ccccc1 ZINC000682937893 488068924 /nfs/dbraw/zinc/06/89/24/488068924.db2.gz GDRBMNGPCOSTHU-CYBMUJFWSA-N 0 3 243.354 3.151 20 0 BGADHN CCC[C@H](C)NCc1nccn1-c1ccccc1 ZINC000682937897 488068728 /nfs/dbraw/zinc/06/87/28/488068728.db2.gz GDRBMNGPCOSTHU-ZDUSSCGKSA-N 0 3 243.354 3.151 20 0 BGADHN COC1(CN(C)Cc2ccsc2)CCCC1 ZINC000682993755 488080250 /nfs/dbraw/zinc/08/02/50/488080250.db2.gz GOENGGVYMVIDJH-UHFFFAOYSA-N 0 3 239.384 3.139 20 0 BGADHN CCN(Cc1ccoc1)CC1(OC)CCCC1 ZINC000682995774 488081583 /nfs/dbraw/zinc/08/15/83/488081583.db2.gz BJWPMXVDHJSBOR-UHFFFAOYSA-N 0 3 237.343 3.061 20 0 BGADHN c1cc(OCC2CC2)ccc1CN1CC=CCC1 ZINC000682997327 487604714 /nfs/dbraw/zinc/60/47/14/487604714.db2.gz LLXMQMJXZYEFCZ-UHFFFAOYSA-N 0 3 243.350 3.237 20 0 BGADHN COC1(CN2CC[C@@H](C)[C@H](F)C2)CCCCC1 ZINC000682997675 488082149 /nfs/dbraw/zinc/08/21/49/488082149.db2.gz WGZVLXCPZOCYLE-CHWSQXEVSA-N 0 3 243.366 3.016 20 0 BGADHN COC1(CN2CC[C@@H](C)[C@@H](F)C2)CCCCC1 ZINC000682997677 488082248 /nfs/dbraw/zinc/08/22/48/488082248.db2.gz WGZVLXCPZOCYLE-OLZOCXBDSA-N 0 3 243.366 3.016 20 0 BGADHN COC1(CN2CC[C@H](C)[C@H](F)C2)CCCCC1 ZINC000682997678 488082278 /nfs/dbraw/zinc/08/22/78/488082278.db2.gz WGZVLXCPZOCYLE-QWHCGFSZSA-N 0 3 243.366 3.016 20 0 BGADHN COC1(CN2CC[C@H](C)[C@@H](F)C2)CCCCC1 ZINC000682997680 488082040 /nfs/dbraw/zinc/08/20/40/488082040.db2.gz WGZVLXCPZOCYLE-STQMWFEESA-N 0 3 243.366 3.016 20 0 BGADHN Cc1ccnc(CN(C)CC2CCCCC2)c1 ZINC000683000812 488083552 /nfs/dbraw/zinc/08/35/52/488083552.db2.gz GMMHEXVRNCDCFU-UHFFFAOYSA-N 0 3 232.371 3.402 20 0 BGADHN Cc1ccnc(CN(C)C2CCC(C)CC2)c1 ZINC000683000837 488082853 /nfs/dbraw/zinc/08/28/53/488082853.db2.gz AYGZKOCIHRJEBM-UHFFFAOYSA-N 0 3 232.371 3.401 20 0 BGADHN CCCCN(CC)Cc1cc(C)ccn1 ZINC000683000946 488083572 /nfs/dbraw/zinc/08/35/72/488083572.db2.gz DQXVPQFAVZRLMY-UHFFFAOYSA-N 0 3 206.333 3.012 20 0 BGADHN Cc1ccnc(CN(CCC(C)C)C2CC2)c1 ZINC000683002173 487605896 /nfs/dbraw/zinc/60/58/96/487605896.db2.gz CEFOKPQQUKGXCV-UHFFFAOYSA-N 0 3 232.371 3.401 20 0 BGADHN CC[C@H]1CCCCN1Cc1cc(C)ccn1 ZINC000683002770 487605962 /nfs/dbraw/zinc/60/59/62/487605962.db2.gz GOUKTMDZCMGXMV-AWEZNQCLSA-N 0 3 218.344 3.155 20 0 BGADHN CC[C@@H]1CCCCN1Cc1cc(C)ccn1 ZINC000683002777 487606035 /nfs/dbraw/zinc/60/60/35/487606035.db2.gz GOUKTMDZCMGXMV-CQSZACIVSA-N 0 3 218.344 3.155 20 0 BGADHN CCCCN(Cc1cc(C)ccn1)C1CC1 ZINC000683002818 488085481 /nfs/dbraw/zinc/08/54/81/488085481.db2.gz QBWICXGUXNYLBJ-UHFFFAOYSA-N 0 3 218.344 3.155 20 0 BGADHN Cc1ccnc(CN([C@H](C)C2CC2)C2CC2)c1 ZINC000683003025 488085022 /nfs/dbraw/zinc/08/50/22/488085022.db2.gz SQPQWKBTSLSSPF-GFCCVEGCSA-N 0 3 230.355 3.153 20 0 BGADHN Cc1ccnc(CN([C@@H](C)C2CC2)C2CC2)c1 ZINC000683003026 488084913 /nfs/dbraw/zinc/08/49/13/488084913.db2.gz SQPQWKBTSLSSPF-LBPRGKRZSA-N 0 3 230.355 3.153 20 0 BGADHN Cc1ccnc(CN(CC(C)C)C2CC2)c1 ZINC000683003360 487607126 /nfs/dbraw/zinc/60/71/26/487607126.db2.gz RDAASLJMWQMBSM-UHFFFAOYSA-N 0 3 218.344 3.010 20 0 BGADHN Cc1ccnc(CN(C)C2CCCCC2)c1 ZINC000683003646 488084399 /nfs/dbraw/zinc/08/43/99/488084399.db2.gz QSMWGVYTPDZDLD-UHFFFAOYSA-N 0 3 218.344 3.155 20 0 BGADHN CCC[C@@H](C)N(C)Cc1cc(C)ccn1 ZINC000683003728 488084629 /nfs/dbraw/zinc/08/46/29/488084629.db2.gz VYLGCIAFIKQHFG-GFCCVEGCSA-N 0 3 206.333 3.010 20 0 BGADHN CCC[C@H](C)N(C)Cc1cc(C)ccn1 ZINC000683003729 488086811 /nfs/dbraw/zinc/08/68/11/488086811.db2.gz VYLGCIAFIKQHFG-LBPRGKRZSA-N 0 3 206.333 3.010 20 0 BGADHN Cc1ccnc(CN(C)[C@H](C)C(C)(C)C)c1 ZINC000683004005 488086637 /nfs/dbraw/zinc/08/66/37/488086637.db2.gz XXWBYWDTSJKCCV-GFCCVEGCSA-N 0 3 220.360 3.256 20 0 BGADHN Cc1ccnc(CN(C)[C@@H](C)C(C)(C)C)c1 ZINC000683004006 488086482 /nfs/dbraw/zinc/08/64/82/488086482.db2.gz XXWBYWDTSJKCCV-LBPRGKRZSA-N 0 3 220.360 3.256 20 0 BGADHN CCC1CCN(Cc2cc(C)ccn2)CC1 ZINC000683004139 488086414 /nfs/dbraw/zinc/08/64/14/488086414.db2.gz ANSRIUQLEJOCAU-UHFFFAOYSA-N 0 3 218.344 3.012 20 0 BGADHN CC[C@@H]1CCCN(Cc2cc(C)ccn2)C1 ZINC000683004463 488086922 /nfs/dbraw/zinc/08/69/22/488086922.db2.gz YFQBXAYQJFFJJF-CYBMUJFWSA-N 0 3 218.344 3.012 20 0 BGADHN CC[C@H]1CCCN(Cc2cc(C)ccn2)C1 ZINC000683004464 488086995 /nfs/dbraw/zinc/08/69/95/488086995.db2.gz YFQBXAYQJFFJJF-ZDUSSCGKSA-N 0 3 218.344 3.012 20 0 BGADHN Cc1ccnc(CN2CCC(C)(C)CC2)c1 ZINC000683006012 488087743 /nfs/dbraw/zinc/08/77/43/488087743.db2.gz GWEMZQUYAPJRFI-UHFFFAOYSA-N 0 3 218.344 3.012 20 0 BGADHN CCC1(C)CCN(Cc2cc(C)ccn2)CC1 ZINC000683006130 487606905 /nfs/dbraw/zinc/60/69/05/487606905.db2.gz JKCDDECPHLXZIP-UHFFFAOYSA-N 0 3 232.371 3.402 20 0 BGADHN Cc1ccnc(CN(C)CC2CCCC2)c1 ZINC000683007146 488088393 /nfs/dbraw/zinc/08/83/93/488088393.db2.gz YIMWORVIAGZJEB-UHFFFAOYSA-N 0 3 218.344 3.012 20 0 BGADHN Cc1ccnc(CN(C2CC2)C2CCCC2)c1 ZINC000683007850 488087659 /nfs/dbraw/zinc/08/76/59/488087659.db2.gz LTBAXHZTFLXNIO-UHFFFAOYSA-N 0 3 230.355 3.297 20 0 BGADHN Cc1ccnc(CN2CCCC(C)(C)C2)c1 ZINC000683009712 488089109 /nfs/dbraw/zinc/08/91/09/488089109.db2.gz RJTVNKIHBQREON-UHFFFAOYSA-N 0 3 218.344 3.012 20 0 BGADHN Cc1ccnc(CN2[C@H](C)CCC[C@@H]2C)c1 ZINC000683010222 488090415 /nfs/dbraw/zinc/09/04/15/488090415.db2.gz YAGHKYAKWNHMIM-BETUJISGSA-N 0 3 218.344 3.153 20 0 BGADHN Cc1ccnc(CN2[C@H](C)CCC[C@H]2C)c1 ZINC000683010223 488089728 /nfs/dbraw/zinc/08/97/28/488089728.db2.gz YAGHKYAKWNHMIM-CHWSQXEVSA-N 0 3 218.344 3.153 20 0 BGADHN Cc1ccnc(CN2[C@@H](C)CCC[C@@H]2C)c1 ZINC000683010224 488089458 /nfs/dbraw/zinc/08/94/58/488089458.db2.gz YAGHKYAKWNHMIM-STQMWFEESA-N 0 3 218.344 3.153 20 0 BGADHN Cc1ccnc(CN(C)[C@H](C)C2(C)CC2)c1 ZINC000683010431 488091080 /nfs/dbraw/zinc/09/10/80/488091080.db2.gz AWULAMKAQZQIFC-GFCCVEGCSA-N 0 3 218.344 3.010 20 0 BGADHN Cc1ccnc(CN(C)[C@@H](C)C2(C)CC2)c1 ZINC000683010432 488090436 /nfs/dbraw/zinc/09/04/36/488090436.db2.gz AWULAMKAQZQIFC-LBPRGKRZSA-N 0 3 218.344 3.010 20 0 BGADHN Cc1ccnc(CN2CCC[C@@H](C)[C@H]2C)c1 ZINC000683010579 488090571 /nfs/dbraw/zinc/09/05/71/488090571.db2.gz JJJGPXVBIOKFKZ-CHWSQXEVSA-N 0 3 218.344 3.010 20 0 BGADHN Cc1ccnc(CN2CCC[C@@H](C)[C@@H]2C)c1 ZINC000683010580 488090531 /nfs/dbraw/zinc/09/05/31/488090531.db2.gz JJJGPXVBIOKFKZ-OLZOCXBDSA-N 0 3 218.344 3.010 20 0 BGADHN Cc1ccnc(CN2CCC[C@H](C)[C@H]2C)c1 ZINC000683010582 488090724 /nfs/dbraw/zinc/09/07/24/488090724.db2.gz JJJGPXVBIOKFKZ-QWHCGFSZSA-N 0 3 218.344 3.010 20 0 BGADHN Cc1ccnc(CN2CCC[C@H](C)[C@@H]2C)c1 ZINC000683010584 490153776 /nfs/dbraw/zinc/15/37/76/490153776.db2.gz JJJGPXVBIOKFKZ-STQMWFEESA-N 0 3 218.344 3.010 20 0 BGADHN Cc1ccnc(CN2C[C@H](C)CC[C@H]2C)c1 ZINC000683010951 488089991 /nfs/dbraw/zinc/08/99/91/488089991.db2.gz BXNBNWRMBZLBNB-CHWSQXEVSA-N 0 3 218.344 3.010 20 0 BGADHN Cc1ccnc(CN2C[C@H](C)CC[C@@H]2C)c1 ZINC000683010953 488090140 /nfs/dbraw/zinc/09/01/40/488090140.db2.gz BXNBNWRMBZLBNB-OLZOCXBDSA-N 0 3 218.344 3.010 20 0 BGADHN Cc1ccnc(CN2C[C@@H](C)CC[C@H]2C)c1 ZINC000683010956 488090514 /nfs/dbraw/zinc/09/05/14/488090514.db2.gz BXNBNWRMBZLBNB-QWHCGFSZSA-N 0 3 218.344 3.010 20 0 BGADHN Cc1ccnc(CN2C[C@@H](C)CC[C@@H]2C)c1 ZINC000683010959 490153224 /nfs/dbraw/zinc/15/32/24/490153224.db2.gz BXNBNWRMBZLBNB-STQMWFEESA-N 0 3 218.344 3.010 20 0 BGADHN Cc1ccnc(CN2C3CCCC2CCC3)c1 ZINC000683011480 488090577 /nfs/dbraw/zinc/09/05/77/488090577.db2.gz PVTWEYUSGUCTAN-UHFFFAOYSA-N 0 3 230.355 3.297 20 0 BGADHN CCC[C@H]1CCCN(Cc2cc(C)ccn2)C1 ZINC000683011548 488090037 /nfs/dbraw/zinc/09/00/37/488090037.db2.gz MOSHRFVRWFLJHS-AWEZNQCLSA-N 0 3 232.371 3.402 20 0 BGADHN CCC[C@@H]1CCCN(Cc2cc(C)ccn2)C1 ZINC000683011553 488090892 /nfs/dbraw/zinc/09/08/92/488090892.db2.gz MOSHRFVRWFLJHS-CQSZACIVSA-N 0 3 232.371 3.402 20 0 BGADHN Cc1ccnc(CN(C)CCc2cccs2)c1 ZINC000683011622 488091886 /nfs/dbraw/zinc/09/18/86/488091886.db2.gz GPZHQLJBKSXOJN-UHFFFAOYSA-N 0 3 246.379 3.126 20 0 BGADHN CC[C@@]1(C)CCCN(Cc2cc(C)ccn2)C1 ZINC000683011944 488091727 /nfs/dbraw/zinc/09/17/27/488091727.db2.gz HZZPFOSKMGAVKR-HNNXBMFYSA-N 0 3 232.371 3.402 20 0 BGADHN CC[C@]1(C)CCCN(Cc2cc(C)ccn2)C1 ZINC000683011947 488092223 /nfs/dbraw/zinc/09/22/23/488092223.db2.gz HZZPFOSKMGAVKR-OAHLLOKOSA-N 0 3 232.371 3.402 20 0 BGADHN CCC1(CC)CCN(Cc2cc(C)ccn2)C1 ZINC000683011974 488092483 /nfs/dbraw/zinc/09/24/83/488092483.db2.gz PXGMWKVKCNOMKW-UHFFFAOYSA-N 0 3 232.371 3.402 20 0 BGADHN Cc1ccnc(CN2CCC(C(C)C)CC2)c1 ZINC000683012036 488092637 /nfs/dbraw/zinc/09/26/37/488092637.db2.gz WRMROPLKKANXJB-UHFFFAOYSA-N 0 3 232.371 3.258 20 0 BGADHN CC[C@@]1(C)CCN(Cc2cc(C)ccn2)C1 ZINC000683012734 488091778 /nfs/dbraw/zinc/09/17/78/488091778.db2.gz ZBXKLJLSKXVGKN-AWEZNQCLSA-N 0 3 218.344 3.012 20 0 BGADHN CC[C@]1(C)CCN(Cc2cc(C)ccn2)C1 ZINC000683012737 488092202 /nfs/dbraw/zinc/09/22/02/488092202.db2.gz ZBXKLJLSKXVGKN-CQSZACIVSA-N 0 3 218.344 3.012 20 0 BGADHN Cc1ccnc(CN2CC[C@@H](CC(C)C)C2)c1 ZINC000683012820 488091990 /nfs/dbraw/zinc/09/19/90/488091990.db2.gz OQAXIDVSPREREB-AWEZNQCLSA-N 0 3 232.371 3.258 20 0 BGADHN Cc1ccnc(CN2CC[C@H](CC(C)C)C2)c1 ZINC000683012822 488091616 /nfs/dbraw/zinc/09/16/16/488091616.db2.gz OQAXIDVSPREREB-CQSZACIVSA-N 0 3 232.371 3.258 20 0 BGADHN Cc1ccnc(CN2CC[C@H](C)C3(CCC3)C2)c1 ZINC000683019673 488096696 /nfs/dbraw/zinc/09/66/96/488096696.db2.gz OYNZNHQPVLAHNH-AWEZNQCLSA-N 0 3 244.382 3.402 20 0 BGADHN Cc1ccnc(CN2CC[C@@H](C)C3(CCC3)C2)c1 ZINC000683019676 488096440 /nfs/dbraw/zinc/09/64/40/488096440.db2.gz OYNZNHQPVLAHNH-CQSZACIVSA-N 0 3 244.382 3.402 20 0 BGADHN c1csc(CN2CC(Cc3ccccc3)C2)c1 ZINC000683019894 488096154 /nfs/dbraw/zinc/09/61/54/488096154.db2.gz WRKNJGDAFZQCRI-UHFFFAOYSA-N 0 3 243.375 3.423 20 0 BGADHN Cc1ccnc(CN2C[C@H](C)CC(C)(C)C2)c1 ZINC000683021609 488097475 /nfs/dbraw/zinc/09/74/75/488097475.db2.gz FZTIKIJSXGBKTN-CYBMUJFWSA-N 0 3 232.371 3.258 20 0 BGADHN Cc1ccnc(CN2C[C@@H](C)CC(C)(C)C2)c1 ZINC000683021610 488097380 /nfs/dbraw/zinc/09/73/80/488097380.db2.gz FZTIKIJSXGBKTN-ZDUSSCGKSA-N 0 3 232.371 3.258 20 0 BGADHN Cc1ccnc(CN2CC[C@@]3(CC[C@@H](C)C3)C2)c1 ZINC000683021739 488097937 /nfs/dbraw/zinc/09/79/37/488097937.db2.gz KFMGXEDGBSIFPK-GDBMZVCRSA-N 0 3 244.382 3.402 20 0 BGADHN Cc1ccnc(CN2CC[C@@]3(CC[C@H](C)C3)C2)c1 ZINC000683021741 488097513 /nfs/dbraw/zinc/09/75/13/488097513.db2.gz KFMGXEDGBSIFPK-GOEBONIOSA-N 0 3 244.382 3.402 20 0 BGADHN Cc1ccnc(CN2CC[C@]3(CC[C@H](C)C3)C2)c1 ZINC000683021743 488098134 /nfs/dbraw/zinc/09/81/34/488098134.db2.gz KFMGXEDGBSIFPK-HOCLYGCPSA-N 0 3 244.382 3.402 20 0 BGADHN Cc1ccnc(CN2CC[C@]3(CC[C@@H](C)C3)C2)c1 ZINC000683021745 488096688 /nfs/dbraw/zinc/09/66/88/488096688.db2.gz KFMGXEDGBSIFPK-ZBFHGGJFSA-N 0 3 244.382 3.402 20 0 BGADHN CCN(CCC1CC1)Cc1cc(C)ccn1 ZINC000683022301 488097338 /nfs/dbraw/zinc/09/73/38/488097338.db2.gz FXVGPJNEYBSXOR-UHFFFAOYSA-N 0 3 218.344 3.012 20 0 BGADHN Cc1ccnc(CN2CC[C@@H](C)C(C)(C)C2)c1 ZINC000683022308 488097972 /nfs/dbraw/zinc/09/79/72/488097972.db2.gz GAHYQUWNYNTHKO-CYBMUJFWSA-N 0 3 232.371 3.258 20 0 BGADHN Cc1ccnc(CN2CC[C@H](C)C(C)(C)C2)c1 ZINC000683022309 488097754 /nfs/dbraw/zinc/09/77/54/488097754.db2.gz GAHYQUWNYNTHKO-ZDUSSCGKSA-N 0 3 232.371 3.258 20 0 BGADHN Cc1ccnc(CN(C)C[C@H]2CC=CCC2)c1 ZINC000683022746 488098067 /nfs/dbraw/zinc/09/80/67/488098067.db2.gz WDVLXZCQIAIARQ-AWEZNQCLSA-N 0 3 230.355 3.178 20 0 BGADHN Cc1ccnc(CN(C)C[C@@H]2CC=CCC2)c1 ZINC000683022753 488097733 /nfs/dbraw/zinc/09/77/33/488097733.db2.gz WDVLXZCQIAIARQ-CQSZACIVSA-N 0 3 230.355 3.178 20 0 BGADHN CCn1ccc(CN(C)[C@H]2C=CCCC2)c1 ZINC000683029363 488099072 /nfs/dbraw/zinc/09/90/72/488099072.db2.gz LFRMGHZVLKUWPI-AWEZNQCLSA-N 0 3 218.344 3.049 20 0 BGADHN CCn1ccc(CN(C)[C@@H]2C=CCCC2)c1 ZINC000683029364 488098682 /nfs/dbraw/zinc/09/86/82/488098682.db2.gz LFRMGHZVLKUWPI-CQSZACIVSA-N 0 3 218.344 3.049 20 0 BGADHN CC(C)C1CC(NCc2cccc(F)c2F)C1 ZINC000683079638 488106483 /nfs/dbraw/zinc/10/64/83/488106483.db2.gz SXZVIDBJKRYCKK-UHFFFAOYSA-N 0 3 239.309 3.489 20 0 BGADHN CC(C)c1cc(CNC2CC(C(C)C)C2)on1 ZINC000683106873 488108524 /nfs/dbraw/zinc/10/85/24/488108524.db2.gz FRLRHKNGJIZZBU-UHFFFAOYSA-N 0 3 236.359 3.322 20 0 BGADHN C[C@@H]1C[C@H]1CN1CCc2cc(F)ccc2[C@@H]1C ZINC000683108693 487613800 /nfs/dbraw/zinc/61/38/00/487613800.db2.gz HBCWUGWNVQTFOT-MDZLAQPJSA-N 0 3 233.330 3.401 20 0 BGADHN C[C@@H]1C[C@@H]1CN1CCc2cc(F)ccc2[C@H]1C ZINC000683108704 487613332 /nfs/dbraw/zinc/61/33/32/487613332.db2.gz HBCWUGWNVQTFOT-NQBHXWOUSA-N 0 3 233.330 3.401 20 0 BGADHN C[C@@H]1C[C@@H]1CN1CCc2cc(F)ccc2[C@@H]1C ZINC000683108708 487613381 /nfs/dbraw/zinc/61/33/81/487613381.db2.gz HBCWUGWNVQTFOT-NTZNESFSSA-N 0 3 233.330 3.401 20 0 BGADHN C[C@@H]1C[C@H]1CN1CCc2cc(F)ccc2[C@H]1C ZINC000683108710 487613154 /nfs/dbraw/zinc/61/31/54/487613154.db2.gz HBCWUGWNVQTFOT-WZRBSPASSA-N 0 3 233.330 3.401 20 0 BGADHN C[C@@H]1C[C@@H]1CN1CC[C@@H]1c1cccc(F)c1 ZINC000683109142 487613585 /nfs/dbraw/zinc/61/35/85/487613585.db2.gz JQLKSNAWXPLFIM-MPKXVKKWSA-N 0 3 219.303 3.229 20 0 BGADHN C[C@@H]1C[C@H]1CN1CC[C@H]1c1cccc(F)c1 ZINC000683109159 487613166 /nfs/dbraw/zinc/61/31/66/487613166.db2.gz JQLKSNAWXPLFIM-OSMZGAPFSA-N 0 3 219.303 3.229 20 0 BGADHN C[C@@H]1C[C@@H]1CN1CC[C@H]1c1cccc(F)c1 ZINC000683109162 487613074 /nfs/dbraw/zinc/61/30/74/487613074.db2.gz JQLKSNAWXPLFIM-QKCSRTOESA-N 0 3 219.303 3.229 20 0 BGADHN C[C@@H]1C[C@H]1CN1CC[C@@H]1c1cccc(F)c1 ZINC000683109163 487613480 /nfs/dbraw/zinc/61/34/80/487613480.db2.gz JQLKSNAWXPLFIM-SCDSUCTJSA-N 0 3 219.303 3.229 20 0 BGADHN Cc1ccc(CN(C[C@H]2C[C@@H]2C)C2CC2)o1 ZINC000683110247 487615454 /nfs/dbraw/zinc/61/54/54/487615454.db2.gz LGNRVBODZSHCQJ-CMPLNLGQSA-N 0 3 219.328 3.208 20 0 BGADHN Cc1ccc(CN(C[C@@H]2C[C@@H]2C)C2CC2)o1 ZINC000683110253 487615234 /nfs/dbraw/zinc/61/52/34/487615234.db2.gz LGNRVBODZSHCQJ-JQWIXIFHSA-N 0 3 219.328 3.208 20 0 BGADHN Cc1ccc(CN(C[C@@H]2C[C@H]2C)C2CC2)o1 ZINC000683110256 487615415 /nfs/dbraw/zinc/61/54/15/487615415.db2.gz LGNRVBODZSHCQJ-PWSUYJOCSA-N 0 3 219.328 3.208 20 0 BGADHN Cc1ccc(CN(C[C@H]2C[C@H]2C)C2CC2)o1 ZINC000683110262 487615657 /nfs/dbraw/zinc/61/56/57/487615657.db2.gz LGNRVBODZSHCQJ-ZYHUDNBSSA-N 0 3 219.328 3.208 20 0 BGADHN Fc1ccc2cc(CN3C4CCC3CC4)[nH]c2c1 ZINC000683111227 488112964 /nfs/dbraw/zinc/11/29/64/488112964.db2.gz RSKHXAXDVUNYKD-UHFFFAOYSA-N 0 3 244.313 3.434 20 0 BGADHN C[C@@H]1C[C@H]1CN1CCOc2ccccc2[C@@H]1C ZINC000683111575 487616635 /nfs/dbraw/zinc/61/66/35/487616635.db2.gz SGMWSBYVSICOCE-AGIUHOORSA-N 0 3 231.339 3.098 20 0 BGADHN C[C@@H]1C[C@@H]1CN1CCOc2ccccc2[C@@H]1C ZINC000683111576 487616391 /nfs/dbraw/zinc/61/63/91/487616391.db2.gz SGMWSBYVSICOCE-FRRDWIJNSA-N 0 3 231.339 3.098 20 0 BGADHN C[C@@H]1C[C@@H]1CN1CCOc2ccccc2[C@H]1C ZINC000683111577 487616541 /nfs/dbraw/zinc/61/65/41/487616541.db2.gz SGMWSBYVSICOCE-JHJVBQTASA-N 0 3 231.339 3.098 20 0 BGADHN C[C@@H]1C[C@H]1CN1CCOc2ccccc2[C@H]1C ZINC000683111578 487616189 /nfs/dbraw/zinc/61/61/89/487616189.db2.gz SGMWSBYVSICOCE-UPJWGTAASA-N 0 3 231.339 3.098 20 0 BGADHN Fc1ccc2nc(CNC3CC=CC3)sc2c1 ZINC000683203767 488129748 /nfs/dbraw/zinc/12/97/48/488129748.db2.gz KLYDBMCXMKMJEH-UHFFFAOYSA-N 0 3 248.326 3.244 20 0 BGADHN C(N[C@@H]1CC12CCCC2)c1nc2c(s1)CCC2 ZINC000683205193 488130517 /nfs/dbraw/zinc/13/05/17/488130517.db2.gz FZXKGTOFQAGWAF-GFCCVEGCSA-N 0 3 248.395 3.054 20 0 BGADHN C(N[C@H]1CC12CCCC2)c1nc2c(s1)CCC2 ZINC000683205194 488130781 /nfs/dbraw/zinc/13/07/81/488130781.db2.gz FZXKGTOFQAGWAF-LBPRGKRZSA-N 0 3 248.395 3.054 20 0 BGADHN FC1(F)CC(NCc2ccccc2C2CC2)C1 ZINC000683205993 488130412 /nfs/dbraw/zinc/13/04/12/488130412.db2.gz CAQKERPYGXMMFT-UHFFFAOYSA-N 0 3 237.293 3.451 20 0 BGADHN FC1(F)CC(NCc2cccc3cnccc32)C1 ZINC000683206856 487629728 /nfs/dbraw/zinc/62/97/28/487629728.db2.gz QQULUUSJKZFXRO-UHFFFAOYSA-N 0 3 248.276 3.122 20 0 BGADHN FC1(F)CC(NCc2nccc3ccccc32)C1 ZINC000683207338 488130764 /nfs/dbraw/zinc/13/07/64/488130764.db2.gz YYKUPORAMUXEKD-UHFFFAOYSA-N 0 3 248.276 3.122 20 0 BGADHN Cc1ccc(CN2CC[C@@H](C(F)F)C2)cc1C ZINC000683221492 488132885 /nfs/dbraw/zinc/13/28/85/488132885.db2.gz OMUYAZZEHXDFFR-CYBMUJFWSA-N 0 3 239.309 3.390 20 0 BGADHN Cc1ccc(CN2CC[C@H](C(F)F)C2)cc1C ZINC000683221493 488132144 /nfs/dbraw/zinc/13/21/44/488132144.db2.gz OMUYAZZEHXDFFR-ZDUSSCGKSA-N 0 3 239.309 3.390 20 0 BGADHN CC(C)CCCN1CC2(C1)CC(F)(F)C2 ZINC000683221516 488132081 /nfs/dbraw/zinc/13/20/81/488132081.db2.gz QYOIQYSTFVAAEJ-UHFFFAOYSA-N 0 3 217.303 3.154 20 0 BGADHN COC1(C[C@@H](C)NCc2ccoc2C)CCC1 ZINC000683227982 488134940 /nfs/dbraw/zinc/13/49/40/488134940.db2.gz KQNAPQHLYRBVEA-LLVKDONJSA-N 0 3 237.343 3.025 20 0 BGADHN COC1(C[C@H](C)NCc2ccoc2C)CCC1 ZINC000683227983 488135103 /nfs/dbraw/zinc/13/51/03/488135103.db2.gz KQNAPQHLYRBVEA-NSHDSACASA-N 0 3 237.343 3.025 20 0 BGADHN Cc1ccc([C@H](C)NC2CC(F)(F)C2)c(C)n1 ZINC000683230818 488135575 /nfs/dbraw/zinc/13/55/75/488135575.db2.gz INQMPINJGSVEFP-JTQLQIEISA-N 0 3 240.297 3.147 20 0 BGADHN Cc1ccc([C@@H](C)NC2CC(F)(F)C2)c(C)n1 ZINC000683230819 488135425 /nfs/dbraw/zinc/13/54/25/488135425.db2.gz INQMPINJGSVEFP-SNVBAGLBSA-N 0 3 240.297 3.147 20 0 BGADHN CCO[C@H]1C[C@H]1NCc1cccc2ccccc21 ZINC000683477271 488171629 /nfs/dbraw/zinc/17/16/29/488171629.db2.gz YAJWEIQDMYGESA-CVEARBPZSA-N 0 3 241.334 3.107 20 0 BGADHN CCO[C@H]1C[C@@H]1NCc1cccc2ccccc21 ZINC000683477272 488171989 /nfs/dbraw/zinc/17/19/89/488171989.db2.gz YAJWEIQDMYGESA-HOTGVXAUSA-N 0 3 241.334 3.107 20 0 BGADHN CCO[C@@H]1C[C@H]1NCc1cccc2ccccc21 ZINC000683477273 488171899 /nfs/dbraw/zinc/17/18/99/488171899.db2.gz YAJWEIQDMYGESA-HZPDHXFCSA-N 0 3 241.334 3.107 20 0 BGADHN CCO[C@@H]1C[C@@H]1NCc1cccc2ccccc21 ZINC000683477274 487655662 /nfs/dbraw/zinc/65/56/62/487655662.db2.gz YAJWEIQDMYGESA-JKSUJKDBSA-N 0 3 241.334 3.107 20 0 BGADHN CCc1ccccc1CCN1CC=CCC1 ZINC000683522700 488185768 /nfs/dbraw/zinc/18/57/68/488185768.db2.gz CJQXIWBFULARMC-UHFFFAOYSA-N 0 3 215.340 3.053 20 0 BGADHN C=Cn1cc(CN(C2CC2)C2CCCCC2)cn1 ZINC000683696353 488208701 /nfs/dbraw/zinc/20/87/01/488208701.db2.gz MYTUWZICFUCYJX-UHFFFAOYSA-N 0 3 245.370 3.281 20 0 BGADHN CC1(CN2CCOc3ccccc3C2)CCC1 ZINC000683696733 488209000 /nfs/dbraw/zinc/20/90/00/488209000.db2.gz JAGBXVKNPSIYDG-UHFFFAOYSA-N 0 3 231.339 3.071 20 0 BGADHN CN(Cc1ccsc1)CC1(C)CCC1 ZINC000683696812 488208747 /nfs/dbraw/zinc/20/87/47/488208747.db2.gz XWYRCIJLVQGWAA-UHFFFAOYSA-N 0 3 209.358 3.370 20 0 BGADHN C[C@H](CCN(C)Cc1cn[nH]c1)c1ccccc1 ZINC000683698630 488209806 /nfs/dbraw/zinc/20/98/06/488209806.db2.gz JLANSFNGFFAEMC-CYBMUJFWSA-N 0 3 243.354 3.035 20 0 BGADHN C[C@@H](CCN(C)Cc1cn[nH]c1)c1ccccc1 ZINC000683698631 488209497 /nfs/dbraw/zinc/20/94/97/488209497.db2.gz JLANSFNGFFAEMC-ZDUSSCGKSA-N 0 3 243.354 3.035 20 0 BGADHN CCN(CCC(F)(F)F)CC1(C)CCC1 ZINC000683698883 488209541 /nfs/dbraw/zinc/20/95/41/488209541.db2.gz YZERJLOJLAYZIY-UHFFFAOYSA-N 0 3 223.282 3.451 20 0 BGADHN CCN(Cc1ccoc1)CC1(C)CCC1 ZINC000683699239 488210030 /nfs/dbraw/zinc/21/00/30/488210030.db2.gz JBVMDXASEGBYHE-UHFFFAOYSA-N 0 3 207.317 3.292 20 0 BGADHN C[C@H](CNCc1ccc(F)cn1)c1ccccc1 ZINC000683707964 488211851 /nfs/dbraw/zinc/21/18/51/488211851.db2.gz XOPQGBUSCLEZBZ-GFCCVEGCSA-N 0 3 244.313 3.114 20 0 BGADHN C[C@@H](CNCc1ccc(F)cn1)c1ccccc1 ZINC000683707965 488211646 /nfs/dbraw/zinc/21/16/46/488211646.db2.gz XOPQGBUSCLEZBZ-LBPRGKRZSA-N 0 3 244.313 3.114 20 0 BGADHN Cc1ccc(CN(C)CC2(C)CCC2)nc1 ZINC000683714992 488211969 /nfs/dbraw/zinc/21/19/69/488211969.db2.gz JOEAJCDOGCBZRM-UHFFFAOYSA-N 0 3 218.344 3.012 20 0 BGADHN CC(C)c1cc(CN[C@@H](C)[C@H]2CC2(C)C)on1 ZINC000683770279 488218043 /nfs/dbraw/zinc/21/80/43/488218043.db2.gz RSFILDPHCULHPR-CMPLNLGQSA-N 0 3 236.359 3.322 20 0 BGADHN CC(C)c1cc(CN[C@@H](C)[C@@H]2CC2(C)C)on1 ZINC000683770280 488218488 /nfs/dbraw/zinc/21/84/88/488218488.db2.gz RSFILDPHCULHPR-JQWIXIFHSA-N 0 3 236.359 3.322 20 0 BGADHN CC(C)c1cc(CN[C@H](C)[C@@H]2CC2(C)C)on1 ZINC000683770281 488218368 /nfs/dbraw/zinc/21/83/68/488218368.db2.gz RSFILDPHCULHPR-PWSUYJOCSA-N 0 3 236.359 3.322 20 0 BGADHN CC(C)c1cc(CN[C@H](C)[C@H]2CC2(C)C)on1 ZINC000683770282 488218218 /nfs/dbraw/zinc/21/82/18/488218218.db2.gz RSFILDPHCULHPR-ZYHUDNBSSA-N 0 3 236.359 3.322 20 0 BGADHN c1coc(-c2ncc(CNC3CC=CC3)s2)c1 ZINC000683770902 488218068 /nfs/dbraw/zinc/21/80/68/488218068.db2.gz FGDBCZZBRWPZGF-UHFFFAOYSA-N 0 3 246.335 3.211 20 0 BGADHN FC1(F)CC(NCc2ccc3cnccc3c2)C1 ZINC000683775686 488218426 /nfs/dbraw/zinc/21/84/26/488218426.db2.gz SCXOTAJHTQBEMO-UHFFFAOYSA-N 0 3 248.276 3.122 20 0 BGADHN FC1(F)CC2(CN([C@@H]3CCc4ccccc43)C2)C1 ZINC000683785019 488221222 /nfs/dbraw/zinc/22/12/22/488221222.db2.gz BYCVWSYGPBJKFV-CYBMUJFWSA-N 0 3 249.304 3.405 20 0 BGADHN FC1(F)CC2(CN([C@H]3CCc4ccccc43)C2)C1 ZINC000683785020 488220921 /nfs/dbraw/zinc/22/09/21/488220921.db2.gz BYCVWSYGPBJKFV-ZDUSSCGKSA-N 0 3 249.304 3.405 20 0 BGADHN CC[C@@]1(C)CN([C@@H]2CCc3ccccc32)CCO1 ZINC000683786861 488222443 /nfs/dbraw/zinc/22/24/43/488222443.db2.gz OALWJGKTUPNJTR-CVEARBPZSA-N 0 3 245.366 3.175 20 0 BGADHN CC[C@@]1(C)CN([C@H]2CCc3ccccc32)CCO1 ZINC000683786862 488221976 /nfs/dbraw/zinc/22/19/76/488221976.db2.gz OALWJGKTUPNJTR-HOTGVXAUSA-N 0 3 245.366 3.175 20 0 BGADHN CC[C@]1(C)CN([C@@H]2CCc3ccccc32)CCO1 ZINC000683786869 488222400 /nfs/dbraw/zinc/22/24/00/488222400.db2.gz OALWJGKTUPNJTR-HZPDHXFCSA-N 0 3 245.366 3.175 20 0 BGADHN CC[C@]1(C)CN([C@H]2CCc3ccccc32)CCO1 ZINC000683786871 488222178 /nfs/dbraw/zinc/22/21/78/488222178.db2.gz OALWJGKTUPNJTR-JKSUJKDBSA-N 0 3 245.366 3.175 20 0 BGADHN CN(Cc1noc2c1CCCC2)C1(C)CCCC1 ZINC000683806160 488223994 /nfs/dbraw/zinc/22/39/94/488223994.db2.gz XOJMEYZNNXYAJL-UHFFFAOYSA-N 0 3 248.370 3.318 20 0 BGADHN CCOc1ccc(CN2C3CCC2CC3)cc1F ZINC000683825146 488227148 /nfs/dbraw/zinc/22/71/48/488227148.db2.gz UWECFSBYCINVJS-UHFFFAOYSA-N 0 3 249.329 3.351 20 0 BGADHN Cc1ccc(CN(CC2(C)CC2)C2CC2)o1 ZINC000683825310 488226704 /nfs/dbraw/zinc/22/67/04/488226704.db2.gz FOVNPNPWSXRKFV-UHFFFAOYSA-N 0 3 219.328 3.353 20 0 BGADHN CC(C)CCN(C)Cc1scnc1C1CC1 ZINC000683825627 488226790 /nfs/dbraw/zinc/22/67/90/488226790.db2.gz NPPVKTGTDLGMSB-UHFFFAOYSA-N 0 3 238.400 3.498 20 0 BGADHN C[C@@H]1c2ccccc2OCCN1CC1(C)CC1 ZINC000683827408 488227928 /nfs/dbraw/zinc/22/79/28/488227928.db2.gz VYBDEIQYMNRPMJ-GFCCVEGCSA-N 0 3 231.339 3.242 20 0 BGADHN C[C@H]1c2ccccc2OCCN1CC1(C)CC1 ZINC000683827410 488227831 /nfs/dbraw/zinc/22/78/31/488227831.db2.gz VYBDEIQYMNRPMJ-LBPRGKRZSA-N 0 3 231.339 3.242 20 0 BGADHN CN(C[C@@H]1OCCc2ccccc21)CC1(C)CC1 ZINC000683827451 488228313 /nfs/dbraw/zinc/22/83/13/488228313.db2.gz XHEUAKZKUCRTII-HNNXBMFYSA-N 0 3 245.366 3.032 20 0 BGADHN CN(C[C@H]1OCCc2ccccc21)CC1(C)CC1 ZINC000683827453 488228074 /nfs/dbraw/zinc/22/80/74/488228074.db2.gz XHEUAKZKUCRTII-OAHLLOKOSA-N 0 3 245.366 3.032 20 0 BGADHN CC(C)N(Cc1ccccn1)CC1(C)CC1 ZINC000683827490 488227735 /nfs/dbraw/zinc/22/77/35/488227735.db2.gz XUZNXHZNOPZXNG-UHFFFAOYSA-N 0 3 218.344 3.092 20 0 BGADHN CCN(CCC(F)(F)F)CC1(C)CC1 ZINC000683828695 488227820 /nfs/dbraw/zinc/22/78/20/488227820.db2.gz WLUOHZLZENFXBQ-UHFFFAOYSA-N 0 3 209.255 3.061 20 0 BGADHN CC1=CCN(Cc2ccc3cnccc3c2)CC1 ZINC000683829796 487703649 /nfs/dbraw/zinc/70/36/49/487703649.db2.gz BFTADANDBNCIHZ-UHFFFAOYSA-N 0 3 238.334 3.387 20 0 BGADHN CC1(CN2CC[C@@H]2c2cccc(F)c2)CC1 ZINC000683833320 488229925 /nfs/dbraw/zinc/22/99/25/488229925.db2.gz XMZSRVLSSUKSBY-CYBMUJFWSA-N 0 3 219.303 3.373 20 0 BGADHN CC1(CN2CC[C@H]2c2cccc(F)c2)CC1 ZINC000683833321 488229611 /nfs/dbraw/zinc/22/96/11/488229611.db2.gz XMZSRVLSSUKSBY-ZDUSSCGKSA-N 0 3 219.303 3.373 20 0 BGADHN FC(F)C1CN(CC2CCCCCC2)C1 ZINC000683895673 488238379 /nfs/dbraw/zinc/23/83/79/488238379.db2.gz JLBGNOQDTHABNI-UHFFFAOYSA-N 0 3 217.303 3.154 20 0 BGADHN CC1(C)CCC(CN2CC(C(F)F)C2)CC1 ZINC000683896496 488238666 /nfs/dbraw/zinc/23/86/66/488238666.db2.gz XQRHHKFWWPGXFU-UHFFFAOYSA-N 0 3 231.330 3.400 20 0 BGADHN CC[C@@H]1CCCCN1Cc1oc(C)nc1C ZINC000683896941 488238598 /nfs/dbraw/zinc/23/85/98/488238598.db2.gz FEJRBFWPNJSPAS-GFCCVEGCSA-N 0 3 222.332 3.056 20 0 BGADHN CC[C@H]1CCCCN1Cc1oc(C)nc1C ZINC000683896942 488238907 /nfs/dbraw/zinc/23/89/07/488238907.db2.gz FEJRBFWPNJSPAS-LBPRGKRZSA-N 0 3 222.332 3.056 20 0 BGADHN Cc1nc(C)c(CN(C)CC2CCCCC2)o1 ZINC000683897053 488239006 /nfs/dbraw/zinc/23/90/06/488239006.db2.gz KPWDUOTXZDUTDV-UHFFFAOYSA-N 0 3 236.359 3.304 20 0 BGADHN Cc1nc(C)c(CN(C)C2CCCCC2)o1 ZINC000683897098 488238652 /nfs/dbraw/zinc/23/86/52/488238652.db2.gz MFYASSUCILHZLF-UHFFFAOYSA-N 0 3 222.332 3.056 20 0 BGADHN Cc1nc(C)c(CN(C)C2CCCCCC2)o1 ZINC000683897182 488238591 /nfs/dbraw/zinc/23/85/91/488238591.db2.gz QVLGJAVHYQMFHD-UHFFFAOYSA-N 0 3 236.359 3.446 20 0 BGADHN Cc1nc(C)c(CN(C)C2CCC(C)CC2)o1 ZINC000683897253 488239608 /nfs/dbraw/zinc/23/96/08/488239608.db2.gz VFWQLZIXKRQGQU-UHFFFAOYSA-N 0 3 236.359 3.302 20 0 BGADHN CCN(Cc1oc(C)nc1C)C1CCCC1 ZINC000683897695 487710124 /nfs/dbraw/zinc/71/01/24/487710124.db2.gz AFKSADGVLPBTDW-UHFFFAOYSA-N 0 3 222.332 3.056 20 0 BGADHN Cc1nc(C)c(CN2CCC[C@H]3CCC[C@H]32)o1 ZINC000683898294 488240288 /nfs/dbraw/zinc/24/02/88/488240288.db2.gz LXCHPVKWSACDJY-CHWSQXEVSA-N 0 3 234.343 3.056 20 0 BGADHN Cc1nc(C)c(CN2CCC[C@H]3CCC[C@@H]32)o1 ZINC000683898295 488240122 /nfs/dbraw/zinc/24/01/22/488240122.db2.gz LXCHPVKWSACDJY-OLZOCXBDSA-N 0 3 234.343 3.056 20 0 BGADHN Cc1nc(C)c(CN2CCC[C@@H]3CCC[C@H]32)o1 ZINC000683898296 488240185 /nfs/dbraw/zinc/24/01/85/488240185.db2.gz LXCHPVKWSACDJY-QWHCGFSZSA-N 0 3 234.343 3.056 20 0 BGADHN Cc1nc(C)c(CN2CCC[C@@H]3CCC[C@@H]32)o1 ZINC000683898297 488240223 /nfs/dbraw/zinc/24/02/23/488240223.db2.gz LXCHPVKWSACDJY-STQMWFEESA-N 0 3 234.343 3.056 20 0 BGADHN Cc1nc(C)c(CN2CCC3(C2)CCCCC3)o1 ZINC000683898306 488240458 /nfs/dbraw/zinc/24/04/58/488240458.db2.gz MGKMMFPTPWUUFG-UHFFFAOYSA-N 0 3 248.370 3.448 20 0 BGADHN Cn1cnc(CN2CCC[C@@H](C(C)(C)C)CC2)c1 ZINC000683898408 487710743 /nfs/dbraw/zinc/71/07/43/487710743.db2.gz OKRIVYUFPWORIW-CYBMUJFWSA-N 0 3 249.402 3.068 20 0 BGADHN Cn1cnc(CN2CCC[C@H](C(C)(C)C)CC2)c1 ZINC000683898409 487710724 /nfs/dbraw/zinc/71/07/24/487710724.db2.gz OKRIVYUFPWORIW-ZDUSSCGKSA-N 0 3 249.402 3.068 20 0 BGADHN CC(C)(C)OCCNCc1cc2ccccc2[nH]1 ZINC000683926257 488245745 /nfs/dbraw/zinc/24/57/45/488245745.db2.gz DHMFIQYMDWGRHK-UHFFFAOYSA-N 0 3 246.354 3.073 20 0 BGADHN CCCCOCCNCc1cc2ccccc2[nH]1 ZINC000683926763 488246318 /nfs/dbraw/zinc/24/63/18/488246318.db2.gz MKFFGQPILKECPC-UHFFFAOYSA-N 0 3 246.354 3.074 20 0 BGADHN FC(F)(F)CCNCc1cc2ccccc2[nH]1 ZINC000683928718 488246174 /nfs/dbraw/zinc/24/61/74/488246174.db2.gz AKEDSYDXEJGDDA-UHFFFAOYSA-N 0 3 242.244 3.210 20 0 BGADHN FC1(F)CC(NCc2cc3ccccc3[nH]2)C1 ZINC000683930992 487717875 /nfs/dbraw/zinc/71/78/75/487717875.db2.gz IRKPABOYIZFJIN-UHFFFAOYSA-N 0 3 236.265 3.055 20 0 BGADHN C[C@@H]1CCCN(Cc2cc3ccccc3[nH]2)C1 ZINC000684018970 488255564 /nfs/dbraw/zinc/25/55/64/488255564.db2.gz DYAYFKKYRHQWPV-GFCCVEGCSA-N 0 3 228.339 3.400 20 0 BGADHN C[C@H]1CCCN(Cc2cc3ccccc3[nH]2)C1 ZINC000684018971 488255334 /nfs/dbraw/zinc/25/53/34/488255334.db2.gz DYAYFKKYRHQWPV-LBPRGKRZSA-N 0 3 228.339 3.400 20 0 BGADHN CC(C)CCN(C)Cc1ccc(-c2cc[nH]n2)o1 ZINC000684019290 488255312 /nfs/dbraw/zinc/25/53/12/488255312.db2.gz BDLKRTOCMVVPJI-UHFFFAOYSA-N 0 3 247.342 3.148 20 0 BGADHN c1c2ccccc2[nH]c1CN1C2CCC1CC2 ZINC000684019331 488255236 /nfs/dbraw/zinc/25/52/36/488255236.db2.gz CTANULWLFQFFCS-UHFFFAOYSA-N 0 3 226.323 3.295 20 0 BGADHN CCN(Cc1cc2ccccc2[nH]1)C1CC1 ZINC000684020170 488255409 /nfs/dbraw/zinc/25/54/09/488255409.db2.gz VVFIEURMFZFVCI-UHFFFAOYSA-N 0 3 214.312 3.152 20 0 BGADHN C[C@@H]1CCN(Cc2cc3ccccc3[nH]2)C1 ZINC000684021456 488255631 /nfs/dbraw/zinc/25/56/31/488255631.db2.gz UWZONYUKSGQVQP-LLVKDONJSA-N 0 3 214.312 3.010 20 0 BGADHN C[C@H]1CCN(Cc2cc3ccccc3[nH]2)C1 ZINC000684021457 488255268 /nfs/dbraw/zinc/25/52/68/488255268.db2.gz UWZONYUKSGQVQP-NSHDSACASA-N 0 3 214.312 3.010 20 0 BGADHN CCOCCN(CC)Cc1cc2ccccc2[nH]1 ZINC000684021720 488256268 /nfs/dbraw/zinc/25/62/68/488256268.db2.gz ZNKWRXDSSOJBQM-UHFFFAOYSA-N 0 3 246.354 3.026 20 0 BGADHN CC1(C)[C@@H]2CN(Cc3cc4ccccc4[nH]3)C[C@@H]21 ZINC000684021743 488255967 /nfs/dbraw/zinc/25/59/67/488255967.db2.gz UDIZVIMWCFCJSI-OKILXGFUSA-N 0 3 240.350 3.256 20 0 BGADHN CC1=CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000684021923 488256495 /nfs/dbraw/zinc/25/64/95/488256495.db2.gz YLFXBZRTHOAYCW-UHFFFAOYSA-N 0 3 226.323 3.320 20 0 BGADHN C[C@@H]1CCCN1Cc1cc2ccccc2[nH]1 ZINC000684022246 488256300 /nfs/dbraw/zinc/25/63/00/488256300.db2.gz IMCWSCAAXACJRQ-LLVKDONJSA-N 0 3 214.312 3.152 20 0 BGADHN C[C@H]1CCCN1Cc1cc2ccccc2[nH]1 ZINC000684022247 488256436 /nfs/dbraw/zinc/25/64/36/488256436.db2.gz IMCWSCAAXACJRQ-NSHDSACASA-N 0 3 214.312 3.152 20 0 BGADHN c1c2ccccc2[nH]c1CN1[C@H]2C=CC[C@@H]1CC2 ZINC000684022388 488256322 /nfs/dbraw/zinc/25/63/22/488256322.db2.gz JQTBGDFNCZAZDV-LSDHHAIUSA-N 0 3 238.334 3.461 20 0 BGADHN CC(C)[C@@H]1CCN1Cc1cc2ccccc2[nH]1 ZINC000684022447 488255999 /nfs/dbraw/zinc/25/59/99/488255999.db2.gz LRRRGQAHCVALRQ-HNNXBMFYSA-N 0 3 228.339 3.398 20 0 BGADHN CC(C)[C@H]1CCN1Cc1cc2ccccc2[nH]1 ZINC000684022448 488256329 /nfs/dbraw/zinc/25/63/29/488256329.db2.gz LRRRGQAHCVALRQ-OAHLLOKOSA-N 0 3 228.339 3.398 20 0 BGADHN c1c2ccccc2[nH]c1CN1CCCSCC1 ZINC000684022652 488256041 /nfs/dbraw/zinc/25/60/41/488256041.db2.gz HRIIGNGRGAJXGH-UHFFFAOYSA-N 0 3 246.379 3.107 20 0 BGADHN COC(C)(C)CN(C)Cc1cc2ccccc2[nH]1 ZINC000684022692 488256076 /nfs/dbraw/zinc/25/60/76/488256076.db2.gz NYZKCDDMNBHBGP-UHFFFAOYSA-N 0 3 246.354 3.025 20 0 BGADHN CC1(C)CCN(Cc2cc3ccccc3[nH]2)C1 ZINC000684022981 488256805 /nfs/dbraw/zinc/25/68/05/488256805.db2.gz RHEAKSJSVBADNN-UHFFFAOYSA-N 0 3 228.339 3.400 20 0 BGADHN Cc1cc(C)cc(OCCN2[C@@H](C)C[C@@H]2C)c1 ZINC000684208878 488276842 /nfs/dbraw/zinc/27/68/42/488276842.db2.gz WPJPGJPLKJLMPT-KBPBESRZSA-N 0 3 233.355 3.165 20 0 BGADHN Cc1cc(C)cc(OCCN2[C@H](C)C[C@@H]2C)c1 ZINC000684208879 488277593 /nfs/dbraw/zinc/27/75/93/488277593.db2.gz WPJPGJPLKJLMPT-OKILXGFUSA-N 0 3 233.355 3.165 20 0 BGADHN Cc1cc(C)cc(OCCN2[C@H](C)C[C@H]2C)c1 ZINC000684208880 488277519 /nfs/dbraw/zinc/27/75/19/488277519.db2.gz WPJPGJPLKJLMPT-ZIAGYGMSSA-N 0 3 233.355 3.165 20 0 BGADHN Oc1ccc([C@H]2CCCN2CC2(F)CC2)cc1 ZINC000684358080 488299767 /nfs/dbraw/zinc/29/97/67/488299767.db2.gz QBLSMYSRNPDIEF-CYBMUJFWSA-N 0 3 235.302 3.031 20 0 BGADHN Oc1ccc([C@@H]2CCCN2CC2(F)CC2)cc1 ZINC000684358081 488299750 /nfs/dbraw/zinc/29/97/50/488299750.db2.gz QBLSMYSRNPDIEF-ZDUSSCGKSA-N 0 3 235.302 3.031 20 0 BGADHN CC[C@H]1c2ccccc2CCN1CC1(F)CC1 ZINC000684360757 488300714 /nfs/dbraw/zinc/30/07/14/488300714.db2.gz IMLDBIKRXPWEGU-AWEZNQCLSA-N 0 3 233.330 3.498 20 0 BGADHN CC[C@@H]1c2ccccc2CCN1CC1(F)CC1 ZINC000684360758 488300561 /nfs/dbraw/zinc/30/05/61/488300561.db2.gz IMLDBIKRXPWEGU-CQSZACIVSA-N 0 3 233.330 3.498 20 0 BGADHN FC1(CN2CCC(C3CCCC3)CC2)CC1 ZINC000684361871 488301304 /nfs/dbraw/zinc/30/13/04/488301304.db2.gz WVXNWTZSZRUHPD-UHFFFAOYSA-N 0 3 225.351 3.391 20 0 BGADHN Cc1ccc(CCCNCC2(F)CC2)c(C)c1 ZINC000684366056 488301957 /nfs/dbraw/zinc/30/19/57/488301957.db2.gz HOCRJBSUMKCUSG-UHFFFAOYSA-N 0 3 235.346 3.328 20 0 BGADHN Cc1occc1CNCCCc1ccc(C)nc1 ZINC000684373020 488302179 /nfs/dbraw/zinc/30/21/79/488302179.db2.gz QLNBCXZEZIJFAB-UHFFFAOYSA-N 0 3 244.338 3.014 20 0 BGADHN CO[C@@H]1CCC[C@@H](Nc2cc(C)cc(C)n2)C1 ZINC000684387147 488304201 /nfs/dbraw/zinc/30/42/01/488304201.db2.gz AKDVVSOGUYENMD-CHWSQXEVSA-N 0 3 234.343 3.068 20 0 BGADHN CO[C@H]1CCC[C@@H](Nc2cc(C)cc(C)n2)C1 ZINC000684387148 488304311 /nfs/dbraw/zinc/30/43/11/488304311.db2.gz AKDVVSOGUYENMD-OLZOCXBDSA-N 0 3 234.343 3.068 20 0 BGADHN CO[C@@H]1CCC[C@H](Nc2cc(C)cc(C)n2)C1 ZINC000684387149 488304132 /nfs/dbraw/zinc/30/41/32/488304132.db2.gz AKDVVSOGUYENMD-QWHCGFSZSA-N 0 3 234.343 3.068 20 0 BGADHN CO[C@H]1CCC[C@H](Nc2cc(C)cc(C)n2)C1 ZINC000684387150 487854220 /nfs/dbraw/zinc/85/42/20/487854220.db2.gz AKDVVSOGUYENMD-STQMWFEESA-N 0 3 234.343 3.068 20 0 BGADHN Cc1cc(CN[C@H]2CCC[C@H](C(C)C)C2)ncn1 ZINC000684389707 488304709 /nfs/dbraw/zinc/30/47/09/488304709.db2.gz NWIKRGVORVJHLW-KBPBESRZSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1cc(CN[C@H]2CCC[C@@H](C(C)C)C2)ncn1 ZINC000684389710 488304633 /nfs/dbraw/zinc/30/46/33/488304633.db2.gz NWIKRGVORVJHLW-KGLIPLIRSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1cc(CN[C@@H]2CCC[C@H](C(C)C)C2)ncn1 ZINC000684389711 488304630 /nfs/dbraw/zinc/30/46/30/488304630.db2.gz NWIKRGVORVJHLW-UONOGXRCSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1cc(CN[C@@H]2CCC[C@@H](C(C)C)C2)ncn1 ZINC000684389712 488304762 /nfs/dbraw/zinc/30/47/62/488304762.db2.gz NWIKRGVORVJHLW-ZIAGYGMSSA-N 0 3 247.386 3.089 20 0 BGADHN Cc1ccncc1CNC(C)(C)CC(F)(F)F ZINC000684406450 488307027 /nfs/dbraw/zinc/30/70/27/488307027.db2.gz ZDQDDADYHAIFIG-UHFFFAOYSA-N 0 3 246.276 3.211 20 0 BGADHN CC(C)C1CN(Cc2ccc([C@@H]3C[C@H]3C)o2)C1 ZINC000684407129 487865624 /nfs/dbraw/zinc/86/56/24/487865624.db2.gz ABWMKZGOJGHLHF-BXUZGUMPSA-N 0 3 233.355 3.491 20 0 BGADHN CC(C)C1CN(Cc2ccc([C@H]3C[C@@H]3C)o2)C1 ZINC000684407142 487865563 /nfs/dbraw/zinc/86/55/63/487865563.db2.gz ABWMKZGOJGHLHF-FZMZJTMJSA-N 0 3 233.355 3.491 20 0 BGADHN CC(C)C1CN(Cc2ccc([C@H]3C[C@H]3C)o2)C1 ZINC000684407146 487866150 /nfs/dbraw/zinc/86/61/50/487866150.db2.gz ABWMKZGOJGHLHF-RISCZKNCSA-N 0 3 233.355 3.491 20 0 BGADHN CC(C)C1CN(Cc2ccc([C@@H]3C[C@@H]3C)o2)C1 ZINC000684407159 487866394 /nfs/dbraw/zinc/86/63/94/487866394.db2.gz ABWMKZGOJGHLHF-SMDDNHRTSA-N 0 3 233.355 3.491 20 0 BGADHN CC(C)C1CN(Cc2ccnc3ccccc23)C1 ZINC000684407362 488307297 /nfs/dbraw/zinc/30/72/97/488307297.db2.gz DAMBFOXHNDNMBY-UHFFFAOYSA-N 0 3 240.350 3.323 20 0 BGADHN Cc1ccc(CN2CC(C(C)C)C2)cc1C ZINC000684407368 487866535 /nfs/dbraw/zinc/86/65/35/487866535.db2.gz DDMSECSBCGYYGP-UHFFFAOYSA-N 0 3 217.356 3.391 20 0 BGADHN COc1ccc(C)cc1CN1CC(C(C)C)C1 ZINC000684407621 488307371 /nfs/dbraw/zinc/30/73/71/488307371.db2.gz ASNKRWQLXVYCNN-UHFFFAOYSA-N 0 3 233.355 3.091 20 0 BGADHN COc1cc(CN2CC(C(C)C)C2)ccc1C ZINC000684407630 488307452 /nfs/dbraw/zinc/30/74/52/488307452.db2.gz HWDKKIVZJAZQBW-UHFFFAOYSA-N 0 3 233.355 3.091 20 0 BGADHN CC(C)C1CN(CC2=Cc3ccccc3OC2)C1 ZINC000684407754 488307334 /nfs/dbraw/zinc/30/73/34/488307334.db2.gz CJJLYVGXFDDVRV-UHFFFAOYSA-N 0 3 243.350 3.050 20 0 BGADHN Cc1cc(F)ccc1CN1CC(C(C)C)C1 ZINC000684408060 488306435 /nfs/dbraw/zinc/30/64/35/488306435.db2.gz LCXPTXUTRPXROL-UHFFFAOYSA-N 0 3 221.319 3.222 20 0 BGADHN CSc1ccc(CN2CC(C(C)C)C2)cc1 ZINC000684408106 488307827 /nfs/dbraw/zinc/30/78/27/488307827.db2.gz LTCMZAGZYGVFAW-UHFFFAOYSA-N 0 3 235.396 3.496 20 0 BGADHN CC(C)C1CN(C/C=C/c2ccccc2)C1 ZINC000684408146 488307558 /nfs/dbraw/zinc/30/75/58/488307558.db2.gz FRIJGLLRNTUFNC-RMKNXTFCSA-N 0 3 215.340 3.288 20 0 BGADHN CC(C)C1CN(C/C=C\c2ccccc2)C1 ZINC000684408148 488307563 /nfs/dbraw/zinc/30/75/63/488307563.db2.gz FRIJGLLRNTUFNC-TWGQIWQCSA-N 0 3 215.340 3.288 20 0 BGADHN CC(C)C1CN(Cc2scnc2C2CC2)C1 ZINC000684408176 488307910 /nfs/dbraw/zinc/30/79/10/488307910.db2.gz GEZSOEBGLOSNOQ-UHFFFAOYSA-N 0 3 236.384 3.108 20 0 BGADHN CCc1ccc(CN2CC(C(C)C)C2)s1 ZINC000684408232 487871410 /nfs/dbraw/zinc/87/14/10/487871410.db2.gz NZVFASVIOAUELK-UHFFFAOYSA-N 0 3 223.385 3.398 20 0 BGADHN Cc1ccc(CN2CC(C(C)C)C2)cc1 ZINC000684408364 488306394 /nfs/dbraw/zinc/30/63/94/488306394.db2.gz JLYPKLHPJAESPI-UHFFFAOYSA-N 0 3 203.329 3.083 20 0 BGADHN CCOc1ccccc1CN1CC(C(C)C)C1 ZINC000684408449 488307789 /nfs/dbraw/zinc/30/77/89/488307789.db2.gz OYNGNNGGXADOKF-UHFFFAOYSA-N 0 3 233.355 3.173 20 0 BGADHN CCOc1cccc(CN2CC(C(C)C)C2)c1 ZINC000684408582 488307984 /nfs/dbraw/zinc/30/79/84/488307984.db2.gz UATJOPZHCDBVTL-UHFFFAOYSA-N 0 3 233.355 3.173 20 0 BGADHN Cc1cc(CN2CC(C(C)C)C2)ccc1F ZINC000684408615 488308046 /nfs/dbraw/zinc/30/80/46/488308046.db2.gz KNSWUDYPBDKCHG-UHFFFAOYSA-N 0 3 221.319 3.222 20 0 BGADHN Cc1ccc(CN2CC(C(C)C)C2)s1 ZINC000684408626 488307722 /nfs/dbraw/zinc/30/77/22/488307722.db2.gz KWNOYHZZEABEJL-UHFFFAOYSA-N 0 3 209.358 3.144 20 0 BGADHN COc1ccc(CN2CC(C(C)C)C2)cc1C ZINC000684408657 487871627 /nfs/dbraw/zinc/87/16/27/487871627.db2.gz VTQNFVBYQOVIMN-UHFFFAOYSA-N 0 3 233.355 3.091 20 0 BGADHN Cc1ccc(F)c(CN2CC(C(C)C)C2)c1 ZINC000684408658 488306815 /nfs/dbraw/zinc/30/68/15/488306815.db2.gz LUCSQAOVOROTLZ-UHFFFAOYSA-N 0 3 221.319 3.222 20 0 BGADHN Cc1cc(CN2CC(C(C)C)C2)c(C)s1 ZINC000684408724 488307799 /nfs/dbraw/zinc/30/77/99/488307799.db2.gz NHLGPMMMNDTMOX-UHFFFAOYSA-N 0 3 223.385 3.453 20 0 BGADHN COc1c(C)cc(CN2CC(C(C)C)C2)cc1C ZINC000684408736 488307745 /nfs/dbraw/zinc/30/77/45/488307745.db2.gz NQMFKEVGUOAKTJ-UHFFFAOYSA-N 0 3 247.382 3.400 20 0 BGADHN COc1ccccc1/C=C/CN1CC(C(C)C)C1 ZINC000684409031 487872423 /nfs/dbraw/zinc/87/24/23/487872423.db2.gz YIHCEYYDAJGTRL-SOFGYWHQSA-N 0 3 245.366 3.296 20 0 BGADHN COc1ccccc1/C=C\CN1CC(C(C)C)C1 ZINC000684409037 487872367 /nfs/dbraw/zinc/87/23/67/487872367.db2.gz YIHCEYYDAJGTRL-VURMDHGXSA-N 0 3 245.366 3.296 20 0 BGADHN Cc1ccc(F)cc1CN1CC(C(C)C)C1 ZINC000684409067 488308611 /nfs/dbraw/zinc/30/86/11/488308611.db2.gz PLLZZCFKYSKIBQ-UHFFFAOYSA-N 0 3 221.319 3.222 20 0 BGADHN CCOc1ccc(CN2CC(C(C)C)C2)cc1 ZINC000684409140 488308232 /nfs/dbraw/zinc/30/82/32/488308232.db2.gz QDBQXMCSYAGYHV-UHFFFAOYSA-N 0 3 233.355 3.173 20 0 BGADHN Cc1ccc(CN2CC(C(C)C)C2)cc1F ZINC000684409175 584945623 /nfs/dbraw/zinc/94/56/23/584945623.db2.gz ZQODKRFUCXXOMO-UHFFFAOYSA-N 0 3 221.319 3.222 20 0 BGADHN CC(C)C1CN(Cc2nccc3ccccc32)C1 ZINC000684409229 488308385 /nfs/dbraw/zinc/30/83/85/488308385.db2.gz RVPGNFWGXGOKSZ-UHFFFAOYSA-N 0 3 240.350 3.323 20 0 BGADHN CC(C)C1CN(Cc2cccc3cccnc32)C1 ZINC000684409231 488308204 /nfs/dbraw/zinc/30/82/04/488308204.db2.gz RYJLWLREMLMBAQ-UHFFFAOYSA-N 0 3 240.350 3.323 20 0 BGADHN CC(C)C1CN(Cc2cc3ccccc3[nH]2)C1 ZINC000684409255 584945647 /nfs/dbraw/zinc/94/56/47/584945647.db2.gz TVTIVRUQBWBXFL-UHFFFAOYSA-N 0 3 228.339 3.256 20 0 BGADHN CC(C)C1CN(Cc2ccc3ncccc3c2)C1 ZINC000684409370 488308315 /nfs/dbraw/zinc/30/83/15/488308315.db2.gz UVJCGBCETUTPKD-UHFFFAOYSA-N 0 3 240.350 3.323 20 0 BGADHN CC(C)C1CN(Cc2ccc3cnccc3c2)C1 ZINC000684409525 488308427 /nfs/dbraw/zinc/30/84/27/488308427.db2.gz XIKRCYRWBCBNMT-UHFFFAOYSA-N 0 3 240.350 3.323 20 0 BGADHN CC(C)C1CN(C/C=C\c2ccc(F)cc2)C1 ZINC000684409536 488308227 /nfs/dbraw/zinc/30/82/27/488308227.db2.gz XVLNYTSDUNCURN-ARJAWSKDSA-N 0 3 233.330 3.427 20 0 BGADHN CC(C)C1CN(C/C=C/c2ccc(F)cc2)C1 ZINC000684409537 488308308 /nfs/dbraw/zinc/30/83/08/488308308.db2.gz XVLNYTSDUNCURN-ONEGZZNKSA-N 0 3 233.330 3.427 20 0 BGADHN C[C@H]1C[C@H](C)N1Cc1nccc2ccccc21 ZINC000684411107 488309059 /nfs/dbraw/zinc/30/90/59/488309059.db2.gz GEANEMKTQPBLKW-RYUDHWBXSA-N 0 3 226.323 3.218 20 0 BGADHN C[C@@H]1C[C@H](C)N1Cc1nccc2ccccc21 ZINC000684411108 488308718 /nfs/dbraw/zinc/30/87/18/488308718.db2.gz GEANEMKTQPBLKW-TXEJJXNPSA-N 0 3 226.323 3.218 20 0 BGADHN C[C@@H]1C[C@@H](C)N1Cc1nccc2ccccc21 ZINC000684411109 488309015 /nfs/dbraw/zinc/30/90/15/488309015.db2.gz GEANEMKTQPBLKW-VXGBXAGGSA-N 0 3 226.323 3.218 20 0 BGADHN C[C@@H]1C[C@@H](C)N1Cc1cc2ccccc2[nH]1 ZINC000684411388 488309215 /nfs/dbraw/zinc/30/92/15/488309215.db2.gz LENBAMBVCLZTOZ-GHMZBOCLSA-N 0 3 214.312 3.151 20 0 BGADHN C[C@@H]1C[C@H](C)N1Cc1cc2ccccc2[nH]1 ZINC000684411389 488309027 /nfs/dbraw/zinc/30/90/27/488309027.db2.gz LENBAMBVCLZTOZ-PHIMTYICSA-N 0 3 214.312 3.151 20 0 BGADHN C[C@H]1C[C@H](C)N1Cc1cc2ccccc2[nH]1 ZINC000684411391 488309264 /nfs/dbraw/zinc/30/92/64/488309264.db2.gz LENBAMBVCLZTOZ-QWRGUYRKSA-N 0 3 214.312 3.151 20 0 BGADHN C[C@@H]1C[C@@H](C)N1Cc1coc2ccccc12 ZINC000684411755 488308833 /nfs/dbraw/zinc/30/88/33/488308833.db2.gz NJSQKZLJPVCBFW-GHMZBOCLSA-N 0 3 215.296 3.416 20 0 BGADHN C[C@@H]1C[C@H](C)N1Cc1coc2ccccc12 ZINC000684411756 488309210 /nfs/dbraw/zinc/30/92/10/488309210.db2.gz NJSQKZLJPVCBFW-PHIMTYICSA-N 0 3 215.296 3.416 20 0 BGADHN C[C@H]1C[C@H](C)N1Cc1coc2ccccc12 ZINC000684411757 488309065 /nfs/dbraw/zinc/30/90/65/488309065.db2.gz NJSQKZLJPVCBFW-QWRGUYRKSA-N 0 3 215.296 3.416 20 0 BGADHN C[C@H]1C[C@H](C)N1Cc1ccc2cnccc2c1 ZINC000684412156 488308998 /nfs/dbraw/zinc/30/89/98/488308998.db2.gz RXDBOWRASAMPCH-RYUDHWBXSA-N 0 3 226.323 3.218 20 0 BGADHN C[C@@H]1C[C@H](C)N1Cc1ccc2cnccc2c1 ZINC000684412158 488308951 /nfs/dbraw/zinc/30/89/51/488308951.db2.gz RXDBOWRASAMPCH-TXEJJXNPSA-N 0 3 226.323 3.218 20 0 BGADHN C[C@@H]1C[C@@H](C)N1Cc1ccc2cnccc2c1 ZINC000684412159 488308739 /nfs/dbraw/zinc/30/87/39/488308739.db2.gz RXDBOWRASAMPCH-VXGBXAGGSA-N 0 3 226.323 3.218 20 0 BGADHN CCOc1ccc(CN(CC)CC2CCC2)nc1 ZINC000684428360 488311845 /nfs/dbraw/zinc/31/18/45/488311845.db2.gz GXKVQHJMUAPLPB-UHFFFAOYSA-N 0 3 248.370 3.102 20 0 BGADHN Cc1ccc2c(c1)CN(CC1(C)CC1)C2 ZINC000684614593 488332176 /nfs/dbraw/zinc/33/21/76/488332176.db2.gz RZFCBTCXGFOHFN-UHFFFAOYSA-N 0 3 201.313 3.111 20 0 BGADHN CC1=C(C)CN(Cc2[nH]nc3ccccc32)CC1 ZINC000684614595 488332005 /nfs/dbraw/zinc/33/20/05/488332005.db2.gz SCRWFRZYZZRYNA-UHFFFAOYSA-N 0 3 241.338 3.105 20 0 BGADHN CC1=C(C)CN(Cc2n[nH]c3ccccc32)CC1 ZINC000684614595 488332004 /nfs/dbraw/zinc/33/20/04/488332004.db2.gz SCRWFRZYZZRYNA-UHFFFAOYSA-N 0 3 241.338 3.105 20 0 BGADHN Cc1nccc(CN(C2CC2)C2CCCCC2)n1 ZINC000684616786 488332551 /nfs/dbraw/zinc/33/25/51/488332551.db2.gz KXFQKIQCGIKZHF-UHFFFAOYSA-N 0 3 245.370 3.082 20 0 BGADHN CC[C@@H](c1ccc(F)cc1)N(C)Cc1cnc[nH]1 ZINC000684617874 487946038 /nfs/dbraw/zinc/94/60/38/487946038.db2.gz XPVFXLCYKSMHIP-AWEZNQCLSA-N 0 3 247.317 3.132 20 0 BGADHN CC[C@H](c1ccc(F)cc1)N(C)Cc1cnc[nH]1 ZINC000684617895 487946563 /nfs/dbraw/zinc/94/65/63/487946563.db2.gz XPVFXLCYKSMHIP-CQSZACIVSA-N 0 3 247.317 3.132 20 0 BGADHN c1ncc(CN[C@@H](CC2CC2)c2ccccc2)[nH]1 ZINC000684619595 488333275 /nfs/dbraw/zinc/33/32/75/488333275.db2.gz FZNSOCAVIPGRJB-HNNXBMFYSA-N 0 3 241.338 3.041 20 0 BGADHN c1nc(CN[C@@H](CC2CC2)c2ccccc2)c[nH]1 ZINC000684619595 488333272 /nfs/dbraw/zinc/33/32/72/488333272.db2.gz FZNSOCAVIPGRJB-HNNXBMFYSA-N 0 3 241.338 3.041 20 0 BGADHN c1ncc(CN[C@H](CC2CC2)c2ccccc2)[nH]1 ZINC000684619596 488333101 /nfs/dbraw/zinc/33/31/01/488333101.db2.gz FZNSOCAVIPGRJB-OAHLLOKOSA-N 0 3 241.338 3.041 20 0 BGADHN c1nc(CN[C@H](CC2CC2)c2ccccc2)c[nH]1 ZINC000684619596 488333100 /nfs/dbraw/zinc/33/31/00/488333100.db2.gz FZNSOCAVIPGRJB-OAHLLOKOSA-N 0 3 241.338 3.041 20 0 BGADHN CCC[C@H]1CCCC[C@H]1NCc1ccnc(C)n1 ZINC000684620376 488334314 /nfs/dbraw/zinc/33/43/14/488334314.db2.gz OSAZBIUQOCMGSZ-DZGCQCFKSA-N 0 3 247.386 3.234 20 0 BGADHN CCC[C@@H]1CCCC[C@@H]1NCc1ccnc(C)n1 ZINC000684620377 488334087 /nfs/dbraw/zinc/33/40/87/488334087.db2.gz OSAZBIUQOCMGSZ-HIFRSBDPSA-N 0 3 247.386 3.234 20 0 BGADHN CCC[C@@H]1CCCC[C@H]1NCc1ccnc(C)n1 ZINC000684620378 488333873 /nfs/dbraw/zinc/33/38/73/488333873.db2.gz OSAZBIUQOCMGSZ-UKRRQHHQSA-N 0 3 247.386 3.234 20 0 BGADHN CCC[C@H]1CCCC[C@@H]1NCc1ccnc(C)n1 ZINC000684620379 488334122 /nfs/dbraw/zinc/33/41/22/488334122.db2.gz OSAZBIUQOCMGSZ-ZFWWWQNUSA-N 0 3 247.386 3.234 20 0 BGADHN CCN(Cc1cc(C)ccn1)CC1CCC1 ZINC000684623443 488334421 /nfs/dbraw/zinc/33/44/21/488334421.db2.gz ASIOCKJNKAPTRX-UHFFFAOYSA-N 0 3 218.344 3.012 20 0 BGADHN CCc1cccc(CN2CCC(F)(F)CC2)c1 ZINC000684623947 488334807 /nfs/dbraw/zinc/33/48/07/488334807.db2.gz LBHHKOMQWPSCAZ-UHFFFAOYSA-N 0 3 239.309 3.480 20 0 BGADHN Cc1ccnc(CN(C)[C@H]2CCC(C)(C)C2)c1 ZINC000684625298 488334928 /nfs/dbraw/zinc/33/49/28/488334928.db2.gz NOHMTODRNAUYST-AWEZNQCLSA-N 0 3 232.371 3.401 20 0 BGADHN Cc1ccnc(CN(C)[C@@H]2CCC(C)(C)C2)c1 ZINC000684625299 487949592 /nfs/dbraw/zinc/94/95/92/487949592.db2.gz NOHMTODRNAUYST-CQSZACIVSA-N 0 3 232.371 3.401 20 0 BGADHN CC(C)(C)OCCCCN1CCC(F)(F)CC1 ZINC000684626307 488335472 /nfs/dbraw/zinc/33/54/72/488335472.db2.gz WDKLLEJBYWATLU-UHFFFAOYSA-N 0 3 249.345 3.313 20 0 BGADHN CC1=C(C)CN(Cc2cccc(N(C)C)c2)CC1 ZINC000684627622 488335448 /nfs/dbraw/zinc/33/54/48/488335448.db2.gz CIMHRENKXXSADN-UHFFFAOYSA-N 0 3 244.382 3.295 20 0 BGADHN CC1=C(C)CN([C@H](C)c2ccncc2)CC1 ZINC000684629447 488335549 /nfs/dbraw/zinc/33/55/49/488335549.db2.gz FVGVEGPEXBLJRN-CYBMUJFWSA-N 0 3 216.328 3.185 20 0 BGADHN CC1=C(C)CN([C@@H](C)c2ccncc2)CC1 ZINC000684629448 488335967 /nfs/dbraw/zinc/33/59/67/488335967.db2.gz FVGVEGPEXBLJRN-ZDUSSCGKSA-N 0 3 216.328 3.185 20 0 BGADHN CC1=C[C@H](C)CN([C@@H](C)c2ccncc2)C1 ZINC000684669480 488338044 /nfs/dbraw/zinc/33/80/44/488338044.db2.gz PQIBAUKVAICKGO-AAEUAGOBSA-N 0 3 216.328 3.041 20 0 BGADHN CC1=C[C@@H](C)CN([C@H](C)c2ccncc2)C1 ZINC000684669481 488337948 /nfs/dbraw/zinc/33/79/48/488337948.db2.gz PQIBAUKVAICKGO-DGCLKSJQSA-N 0 3 216.328 3.041 20 0 BGADHN CC1=C[C@H](C)CN([C@H](C)c2ccncc2)C1 ZINC000684669482 488338166 /nfs/dbraw/zinc/33/81/66/488338166.db2.gz PQIBAUKVAICKGO-WCQYABFASA-N 0 3 216.328 3.041 20 0 BGADHN CC1=C[C@@H](C)CN([C@@H](C)c2ccncc2)C1 ZINC000684669483 488338022 /nfs/dbraw/zinc/33/80/22/488338022.db2.gz PQIBAUKVAICKGO-YPMHNXCESA-N 0 3 216.328 3.041 20 0 BGADHN Cc1cc(C)cc(OCCN2CCC=C(C)C2)c1 ZINC000684773842 488341555 /nfs/dbraw/zinc/34/15/55/488341555.db2.gz KIASOPLPFDEJDT-UHFFFAOYSA-N 0 3 245.366 3.334 20 0 BGADHN CC1=CCCN(Cc2ccc3cnccc3c2)C1 ZINC000684800324 488343510 /nfs/dbraw/zinc/34/35/10/488343510.db2.gz NYBRWLGOQYSNET-UHFFFAOYSA-N 0 3 238.334 3.387 20 0 BGADHN CC1=CCCN(Cc2nccc3ccccc32)C1 ZINC000684800404 488343406 /nfs/dbraw/zinc/34/34/06/488343406.db2.gz RNDRBRMFTAJVKK-UHFFFAOYSA-N 0 3 238.334 3.387 20 0 BGADHN CC1=CCCN(Cc2cc3ccccc3[nH]2)C1 ZINC000684800507 488343377 /nfs/dbraw/zinc/34/33/77/488343377.db2.gz WFCBKNLYQZPUHY-UHFFFAOYSA-N 0 3 226.323 3.320 20 0 BGADHN C[C@@H](N[C@@H](C)c1cn2ccccc2n1)C1CCC1 ZINC000684835916 488347917 /nfs/dbraw/zinc/34/79/17/488347917.db2.gz MORBCCLBHWUNHQ-NEPJUHHUSA-N 0 3 243.354 3.174 20 0 BGADHN C[C@@H](N[C@@H](C)C1CCC1)c1cn2ccccc2n1 ZINC000684835917 488347979 /nfs/dbraw/zinc/34/79/79/488347979.db2.gz MORBCCLBHWUNHQ-NWDGAFQWSA-N 0 3 243.354 3.174 20 0 BGADHN C[C@H](N[C@@H](C)C1CCC1)c1cn2ccccc2n1 ZINC000684835919 488347884 /nfs/dbraw/zinc/34/78/84/488347884.db2.gz MORBCCLBHWUNHQ-RYUDHWBXSA-N 0 3 243.354 3.174 20 0 BGADHN C[C@@H](N[C@H](C)C1CCC1)c1cn2ccccc2n1 ZINC000684835922 487971160 /nfs/dbraw/zinc/97/11/60/487971160.db2.gz MORBCCLBHWUNHQ-VXGBXAGGSA-N 0 3 243.354 3.174 20 0 BGADHN Cc1cc(C)c(CN2CC(C(F)F)C2)c(C)c1 ZINC000684836731 488347937 /nfs/dbraw/zinc/34/79/37/488347937.db2.gz RTSNEQDZGIVEQU-UHFFFAOYSA-N 0 3 239.309 3.309 20 0 BGADHN Cc1nc(C)c(CN(C)[C@H]2CCCC[C@@H]2C)o1 ZINC000684837566 488348384 /nfs/dbraw/zinc/34/83/84/488348384.db2.gz ZIWVEVSHYDWUTR-GWCFXTLKSA-N 0 3 236.359 3.302 20 0 BGADHN Cc1nc(C)c(CN(C)[C@@H]2CCCC[C@@H]2C)o1 ZINC000684837569 488348229 /nfs/dbraw/zinc/34/82/29/488348229.db2.gz ZIWVEVSHYDWUTR-GXFFZTMASA-N 0 3 236.359 3.302 20 0 BGADHN Cc1nc(C)c(CN(C)[C@H]2CCCC[C@H]2C)o1 ZINC000684837571 488348442 /nfs/dbraw/zinc/34/84/42/488348442.db2.gz ZIWVEVSHYDWUTR-MFKMUULPSA-N 0 3 236.359 3.302 20 0 BGADHN Cc1nc(C)c(CN(C)[C@@H]2CCCC[C@H]2C)o1 ZINC000684837572 488348194 /nfs/dbraw/zinc/34/81/94/488348194.db2.gz ZIWVEVSHYDWUTR-ZWNOBZJWSA-N 0 3 236.359 3.302 20 0 BGADHN Cc1nn(C(C)C)cc1CN(C)CCC(C)C ZINC000684964419 487476595 /nfs/dbraw/zinc/47/65/95/487476595.db2.gz XOMLCNHWSWZGEJ-UHFFFAOYSA-N 0 3 237.391 3.250 20 0 BGADHN CCn1cc(CN(C)C[C@H](C)CC(C)C)cn1 ZINC000685001258 487488875 /nfs/dbraw/zinc/48/88/75/487488875.db2.gz WBTNVTIBGKEUMC-CYBMUJFWSA-N 0 3 237.391 3.017 20 0 BGADHN CCn1cc(CN(C)C[C@@H](C)CC(C)C)cn1 ZINC000685001259 487488120 /nfs/dbraw/zinc/48/81/20/487488120.db2.gz WBTNVTIBGKEUMC-ZDUSSCGKSA-N 0 3 237.391 3.017 20 0 BGADHN CC(C)C[C@@H](C)CN1CC2(C1)CC(F)(F)C2 ZINC000685003179 487490174 /nfs/dbraw/zinc/49/01/74/487490174.db2.gz NTAFPKMROLVFTN-LLVKDONJSA-N 0 3 231.330 3.400 20 0 BGADHN CC(C)C[C@H](C)CN1CC2(C1)CC(F)(F)C2 ZINC000685003181 487490399 /nfs/dbraw/zinc/49/03/99/487490399.db2.gz NTAFPKMROLVFTN-NSHDSACASA-N 0 3 231.330 3.400 20 0 BGADHN Cc1cnn(C)c1CN(C1CC1)C1CCCCC1 ZINC000685410459 487516429 /nfs/dbraw/zinc/51/64/29/487516429.db2.gz NWQRVJIYDDISLC-UHFFFAOYSA-N 0 3 247.386 3.026 20 0 BGADHN CC(C)C1CCC(CN(C)Cc2cn[nH]c2)CC1 ZINC000685418071 487519010 /nfs/dbraw/zinc/51/90/10/487519010.db2.gz LCGDQYGWFLYNLZ-UHFFFAOYSA-N 0 3 249.402 3.304 20 0 BGADHN CN(CCCC1CCCCC1)Cc1cn[nH]c1 ZINC000685418082 487518342 /nfs/dbraw/zinc/51/83/42/487518342.db2.gz QRBRZBCRAAEOCT-UHFFFAOYSA-N 0 3 235.375 3.202 20 0 BGADHN CN(CCC1CCCCCC1)Cc1cn[nH]c1 ZINC000685418096 487518313 /nfs/dbraw/zinc/51/83/13/487518313.db2.gz WPWXHDYMLSUWGP-UHFFFAOYSA-N 0 3 235.375 3.202 20 0 BGADHN C(CN1C[C@H]2CC[C@@H](C1)O2)C1CCCCCC1 ZINC000685418124 487519167 /nfs/dbraw/zinc/51/91/67/487519167.db2.gz KVWKUUHJXUPNOT-GASCZTMLSA-N 0 3 237.387 3.210 20 0 BGADHN C(CC1CCCCC1)CN1C[C@H]2CC[C@@H](C1)O2 ZINC000685418131 487518246 /nfs/dbraw/zinc/51/82/46/487518246.db2.gz MFTOAPOKFGULOH-GASCZTMLSA-N 0 3 237.387 3.210 20 0 BGADHN CC1(C)CCN1Cc1ccc2occc2c1 ZINC000685418299 487518834 /nfs/dbraw/zinc/51/88/34/487518834.db2.gz MWTRFMDKXFILOY-UHFFFAOYSA-N 0 3 215.296 3.417 20 0 BGADHN C[C@@H]1COCCCN1Cc1ccc2occc2c1 ZINC000685418866 487518430 /nfs/dbraw/zinc/51/84/30/487518430.db2.gz QDEOBHJFRWJMNV-GFCCVEGCSA-N 0 3 245.322 3.044 20 0 BGADHN C[C@H]1COCCCN1Cc1ccc2occc2c1 ZINC000685418867 487518694 /nfs/dbraw/zinc/51/86/94/487518694.db2.gz QDEOBHJFRWJMNV-LBPRGKRZSA-N 0 3 245.322 3.044 20 0 BGADHN CCCCC[C@H]1CCCN1Cc1c(C)cnn1C ZINC000685420408 487519702 /nfs/dbraw/zinc/51/97/02/487519702.db2.gz FAVRDLACLQCZNI-AWEZNQCLSA-N 0 3 249.402 3.273 20 0 BGADHN CCCCC[C@@H]1CCCN1Cc1c(C)cnn1C ZINC000685420409 487520153 /nfs/dbraw/zinc/52/01/53/487520153.db2.gz FAVRDLACLQCZNI-CQSZACIVSA-N 0 3 249.402 3.273 20 0 BGADHN Cc1cc(CNCCC2CCCCCC2)[nH]n1 ZINC000685424864 487519958 /nfs/dbraw/zinc/51/99/58/487519958.db2.gz RNMBLUMRQPDFFP-UHFFFAOYSA-N 0 3 235.375 3.168 20 0 BGADHN Cc1cc(CNCCC2CCCCCC2)ncn1 ZINC000685425704 487520878 /nfs/dbraw/zinc/52/08/78/487520878.db2.gz DEENGJJYFBXDNQ-UHFFFAOYSA-N 0 3 247.386 3.235 20 0 BGADHN Cc1cc(CNCCCC2CCCCC2)ncn1 ZINC000685425713 487520840 /nfs/dbraw/zinc/52/08/40/487520840.db2.gz FPFMKELNXBJBPS-UHFFFAOYSA-N 0 3 247.386 3.235 20 0 BGADHN c1cc2cc(CN3CC=CCC3)ccc2o1 ZINC000685426462 487520686 /nfs/dbraw/zinc/52/06/86/487520686.db2.gz FJFYBRRLAXGCOL-UHFFFAOYSA-N 0 3 213.280 3.195 20 0 BGADHN Cc1cc(CN2CC(C(C)C)C2)cc(C)c1O ZINC000685430429 487522519 /nfs/dbraw/zinc/52/25/19/487522519.db2.gz ZEOBMPFVFMNAFR-UHFFFAOYSA-N 0 3 233.355 3.097 20 0 BGADHN CCC[C@H](C)CN1CCCC[C@@H]1c1cc[nH]n1 ZINC000685438171 487523315 /nfs/dbraw/zinc/52/33/15/487523315.db2.gz WAMUZWZCRWBNRF-GXTWGEPZSA-N 0 3 235.375 3.373 20 0 BGADHN CCC[C@H](C)CN1CCCC[C@H]1c1cc[nH]n1 ZINC000685438172 487523593 /nfs/dbraw/zinc/52/35/93/487523593.db2.gz WAMUZWZCRWBNRF-JSGCOSHPSA-N 0 3 235.375 3.373 20 0 BGADHN CCC[C@@H](C)CN1CCCC[C@H]1c1cc[nH]n1 ZINC000685438173 487523241 /nfs/dbraw/zinc/52/32/41/487523241.db2.gz WAMUZWZCRWBNRF-OCCSQVGLSA-N 0 3 235.375 3.373 20 0 BGADHN CCC[C@@H](C)CN1CCCC[C@@H]1c1cc[nH]n1 ZINC000685438174 487523267 /nfs/dbraw/zinc/52/32/67/487523267.db2.gz WAMUZWZCRWBNRF-TZMCWYRMSA-N 0 3 235.375 3.373 20 0 BGADHN Cc1ccc(F)cc1CN1CC(C2CCC2)C1 ZINC000685438384 487523112 /nfs/dbraw/zinc/52/31/12/487523112.db2.gz JRWKIJIDGWQRKI-UHFFFAOYSA-N 0 3 233.330 3.366 20 0 BGADHN CO[C@H]1C[C@@H](N(C)Cc2ccc([C@@H]3C[C@@H]3C)o2)C1 ZINC000685438466 487523144 /nfs/dbraw/zinc/52/31/44/487523144.db2.gz IVSFQXURRGXFFU-CDGCEXEKSA-N 0 3 249.354 3.012 20 0 BGADHN CO[C@H]1C[C@@H](N(C)Cc2ccc([C@@H]3C[C@H]3C)o2)C1 ZINC000685438467 487523213 /nfs/dbraw/zinc/52/32/13/487523213.db2.gz IVSFQXURRGXFFU-MHDGFBEUSA-N 0 3 249.354 3.012 20 0 BGADHN CO[C@H]1C[C@@H](N(C)Cc2ccc([C@H]3C[C@H]3C)o2)C1 ZINC000685438468 487523037 /nfs/dbraw/zinc/52/30/37/487523037.db2.gz IVSFQXURRGXFFU-RFHZTLPTSA-N 0 3 249.354 3.012 20 0 BGADHN CO[C@H]1C[C@@H](N(C)Cc2ccc([C@H]3C[C@@H]3C)o2)C1 ZINC000685438469 487523332 /nfs/dbraw/zinc/52/33/32/487523332.db2.gz IVSFQXURRGXFFU-VTPLQMEGSA-N 0 3 249.354 3.012 20 0 BGADHN CO[C@H]1C[C@@H](N(C)Cc2coc3ccccc23)C1 ZINC000685438498 488029438 /nfs/dbraw/zinc/02/94/38/488029438.db2.gz PMHNXEHPWNFRKI-BETUJISGSA-N 0 3 245.322 3.042 20 0 BGADHN CN(Cc1ccccc1C1CC1)[C@H]1CCCOC1 ZINC000685438775 487523287 /nfs/dbraw/zinc/52/32/87/487523287.db2.gz WUWOKPXXSOZZIW-HNNXBMFYSA-N 0 3 245.366 3.175 20 0 BGADHN CN(Cc1ccccc1C1CC1)[C@@H]1CCCOC1 ZINC000685438776 487523671 /nfs/dbraw/zinc/52/36/71/487523671.db2.gz WUWOKPXXSOZZIW-OAHLLOKOSA-N 0 3 245.366 3.175 20 0 BGADHN CCCn1cc(CN2CCC3(CCC3)CC2)cn1 ZINC000685444041 487524454 /nfs/dbraw/zinc/52/44/54/487524454.db2.gz RUTBITADCGAWDL-UHFFFAOYSA-N 0 3 247.386 3.059 20 0 BGADHN COc1ccccc1CN1CCC2(CCC2)CC1 ZINC000685444054 487524356 /nfs/dbraw/zinc/52/43/56/487524356.db2.gz TXNMFIZKLYHQQJ-UHFFFAOYSA-N 0 3 245.366 3.461 20 0 BGADHN Cc1ncccc1CN1CCC2(CCC2)CC1 ZINC000685444088 487524371 /nfs/dbraw/zinc/52/43/71/487524371.db2.gz XUVHZFVHYVYQRA-UHFFFAOYSA-N 0 3 230.355 3.156 20 0 BGADHN Cc1ccc(CN2CCC3(CCC3)CC2)cn1 ZINC000685444108 488034272 /nfs/dbraw/zinc/03/42/72/488034272.db2.gz AGSLRICUKYLCPX-UHFFFAOYSA-N 0 3 230.355 3.156 20 0 BGADHN COCc1ccc(CN2CCC3(CCC3)CC2)o1 ZINC000685444142 487524486 /nfs/dbraw/zinc/52/44/86/487524486.db2.gz GYRYYJLCEAMDAB-UHFFFAOYSA-N 0 3 249.354 3.192 20 0 BGADHN Cc1ccoc1CN1CCC2(CCC2)CC1 ZINC000685444175 487524295 /nfs/dbraw/zinc/52/42/95/487524295.db2.gz JUHRQOWFVKNWTL-UHFFFAOYSA-N 0 3 219.328 3.354 20 0 BGADHN Cc1ncsc1CN1CCC2(CCC2)CC1 ZINC000685444226 487524240 /nfs/dbraw/zinc/52/42/40/487524240.db2.gz NMODKAXGLRSSJC-UHFFFAOYSA-N 0 3 236.384 3.218 20 0 BGADHN Cc1ccc(CN2CCC3(CCC3)CC2)o1 ZINC000685444261 487524365 /nfs/dbraw/zinc/52/43/65/487524365.db2.gz PDPDVKHWDNBZME-UHFFFAOYSA-N 0 3 219.328 3.354 20 0 BGADHN C[C@H](CN1CCOC[C@H]1CC(F)F)C(C)(C)C ZINC000685446796 487524290 /nfs/dbraw/zinc/52/42/90/487524290.db2.gz KIOGNEFMHHFOOX-GHMZBOCLSA-N 0 3 249.345 3.025 20 0 BGADHN C[C@H](CN1CCOC[C@@H]1CC(F)F)C(C)(C)C ZINC000685446798 487524656 /nfs/dbraw/zinc/52/46/56/487524656.db2.gz KIOGNEFMHHFOOX-MNOVXSKESA-N 0 3 249.345 3.025 20 0 BGADHN C[C@@H](CN1CCOC[C@@H]1CC(F)F)C(C)(C)C ZINC000685446799 487524392 /nfs/dbraw/zinc/52/43/92/487524392.db2.gz KIOGNEFMHHFOOX-QWRGUYRKSA-N 0 3 249.345 3.025 20 0 BGADHN C[C@@H](CN1CCOC[C@H]1CC(F)F)C(C)(C)C ZINC000685446800 487524518 /nfs/dbraw/zinc/52/45/18/487524518.db2.gz KIOGNEFMHHFOOX-WDEREUQCSA-N 0 3 249.345 3.025 20 0 BGADHN CCC(CC)CN[C@H](C)c1c(F)cncc1F ZINC000685447409 487524312 /nfs/dbraw/zinc/52/43/12/487524312.db2.gz JZDMRJSBHMVUOM-SECBINFHSA-N 0 3 242.313 3.447 20 0 BGADHN CCC(CC)CN[C@@H](C)c1c(F)cncc1F ZINC000685447410 487524563 /nfs/dbraw/zinc/52/45/63/487524563.db2.gz JZDMRJSBHMVUOM-VIFPVBQESA-N 0 3 242.313 3.447 20 0 BGADHN CO[C@H](C)CN(C)Cc1ccccc1C1CC1 ZINC000685447647 487525440 /nfs/dbraw/zinc/52/54/40/487525440.db2.gz HQYAXVTZFJGAHC-GFCCVEGCSA-N 0 3 233.355 3.031 20 0 BGADHN CO[C@@H](C)CN(C)Cc1ccccc1C1CC1 ZINC000685447648 487525608 /nfs/dbraw/zinc/52/56/08/487525608.db2.gz HQYAXVTZFJGAHC-LBPRGKRZSA-N 0 3 233.355 3.031 20 0 BGADHN c1coc(CN2CCC(c3cccnc3)CC2)c1 ZINC000685455972 487526744 /nfs/dbraw/zinc/52/67/44/487526744.db2.gz GGONKEXXFWWXEE-UHFFFAOYSA-N 0 3 242.322 3.054 20 0 BGADHN Oc1ccc(CN(CC2CC2)CC2(F)CC2)cc1 ZINC000685456438 487527251 /nfs/dbraw/zinc/52/72/51/487527251.db2.gz NBILYQZXGGKHFF-UHFFFAOYSA-N 0 3 249.329 3.106 20 0 BGADHN CCc1ncc(CN2[C@H](C)CC[C@H]2CC)s1 ZINC000685471345 487535184 /nfs/dbraw/zinc/53/51/84/487535184.db2.gz LQWROOQOPFXKQV-GHMZBOCLSA-N 0 3 238.400 3.468 20 0 BGADHN CCc1ncc(CN2[C@H](C)CC[C@@H]2CC)s1 ZINC000685471346 487535582 /nfs/dbraw/zinc/53/55/82/487535582.db2.gz LQWROOQOPFXKQV-MNOVXSKESA-N 0 3 238.400 3.468 20 0 BGADHN CCc1ncc(CN2[C@@H](C)CC[C@@H]2CC)s1 ZINC000685471347 487535736 /nfs/dbraw/zinc/53/57/36/487535736.db2.gz LQWROOQOPFXKQV-QWRGUYRKSA-N 0 3 238.400 3.468 20 0 BGADHN CCc1ncc(CN2[C@H](CC)CC[C@@H]2C)s1 ZINC000685471348 487535817 /nfs/dbraw/zinc/53/58/17/487535817.db2.gz LQWROOQOPFXKQV-WDEREUQCSA-N 0 3 238.400 3.468 20 0 BGADHN C[C@H](CF)N[C@H](C)CCc1ccc(F)cc1F ZINC000685473319 488042341 /nfs/dbraw/zinc/04/23/41/488042341.db2.gz FPHHOGGNVCDHOM-NXEZZACHSA-N 0 3 245.288 3.234 20 0 BGADHN C[C@H](CF)N[C@@H](C)CCc1ccc(F)cc1F ZINC000685473320 488042465 /nfs/dbraw/zinc/04/24/65/488042465.db2.gz FPHHOGGNVCDHOM-VHSXEESVSA-N 0 3 245.288 3.234 20 0 BGADHN C[C@H](CF)NC1CC(c2cc(F)cc(F)c2)C1 ZINC000685473403 488042133 /nfs/dbraw/zinc/04/21/33/488042133.db2.gz VKJFMDYLSIJWFB-NCZMNARYSA-N 0 3 243.272 3.158 20 0 BGADHN Cc1n[nH]cc1CN1CC[C@@H](C(C)(C)C)C[C@H]1C ZINC000685473670 487534774 /nfs/dbraw/zinc/53/47/74/487534774.db2.gz IIUXUZXLWGAAKZ-BXUZGUMPSA-N 0 3 249.402 3.365 20 0 BGADHN Cc1n[nH]cc1CN1CC[C@H](C(C)(C)C)C[C@@H]1C ZINC000685473671 487535639 /nfs/dbraw/zinc/53/56/39/487535639.db2.gz IIUXUZXLWGAAKZ-FZMZJTMJSA-N 0 3 249.402 3.365 20 0 BGADHN Cc1n[nH]cc1CN1CC[C@H](C(C)(C)C)C[C@H]1C ZINC000685473672 487535907 /nfs/dbraw/zinc/53/59/07/487535907.db2.gz IIUXUZXLWGAAKZ-RISCZKNCSA-N 0 3 249.402 3.365 20 0 BGADHN Cc1n[nH]cc1CN1CC[C@@H](C(C)(C)C)C[C@@H]1C ZINC000685473673 487535139 /nfs/dbraw/zinc/53/51/39/487535139.db2.gz IIUXUZXLWGAAKZ-SMDDNHRTSA-N 0 3 249.402 3.365 20 0 BGADHN C[C@H]1C[C@@H](C(C)(C)C)CCN1Cc1cn[nH]c1 ZINC000685473696 488043390 /nfs/dbraw/zinc/04/33/90/488043390.db2.gz MHDXRNLQEGUGOX-AAEUAGOBSA-N 0 3 235.375 3.056 20 0 BGADHN C[C@@H]1C[C@H](C(C)(C)C)CCN1Cc1cn[nH]c1 ZINC000685473697 488043438 /nfs/dbraw/zinc/04/34/38/488043438.db2.gz MHDXRNLQEGUGOX-DGCLKSJQSA-N 0 3 235.375 3.056 20 0 BGADHN C[C@H]1C[C@H](C(C)(C)C)CCN1Cc1cn[nH]c1 ZINC000685473698 488043385 /nfs/dbraw/zinc/04/33/85/488043385.db2.gz MHDXRNLQEGUGOX-WCQYABFASA-N 0 3 235.375 3.056 20 0 BGADHN C[C@@H]1C[C@@H](C(C)(C)C)CCN1Cc1cn[nH]c1 ZINC000685473699 488043224 /nfs/dbraw/zinc/04/32/24/488043224.db2.gz MHDXRNLQEGUGOX-YPMHNXCESA-N 0 3 235.375 3.056 20 0 BGADHN C[C@H](CC1CCC1)NCc1noc2c1CCCC2 ZINC000685473873 487535195 /nfs/dbraw/zinc/53/51/95/487535195.db2.gz OPRFEUYKMGXRSO-LLVKDONJSA-N 0 3 248.370 3.222 20 0 BGADHN C[C@@H](CC1CCC1)NCc1noc2c1CCCC2 ZINC000685473874 487534800 /nfs/dbraw/zinc/53/48/00/487534800.db2.gz OPRFEUYKMGXRSO-NSHDSACASA-N 0 3 248.370 3.222 20 0 BGADHN CC(C)CC1(C)CCN(Cc2cn[nH]c2)CC1 ZINC000685475727 487536469 /nfs/dbraw/zinc/53/64/69/487536469.db2.gz NIPZBLFTMNSWPK-UHFFFAOYSA-N 0 3 235.375 3.058 20 0 BGADHN CCc1ccc(CN2CCC[C@@H](C3CC3)C2)o1 ZINC000685476105 487536843 /nfs/dbraw/zinc/53/68/43/487536843.db2.gz INQRVHKCQYDLIR-CYBMUJFWSA-N 0 3 233.355 3.464 20 0 BGADHN CCc1ccc(CN2CCC[C@H](C3CC3)C2)o1 ZINC000685476106 487536796 /nfs/dbraw/zinc/53/67/96/487536796.db2.gz INQRVHKCQYDLIR-ZDUSSCGKSA-N 0 3 233.355 3.464 20 0 BGADHN CCC(CC)[N@@H+](CC)Cc1nc(C)ccc1[O-] ZINC000685476272 487537348 /nfs/dbraw/zinc/53/73/48/487537348.db2.gz PGNOBGJHERQTQN-UHFFFAOYSA-N 0 3 236.359 3.106 20 0 BGADHN CCC(CC)[N@H+](CC)Cc1nc(C)ccc1[O-] ZINC000685476272 487537346 /nfs/dbraw/zinc/53/73/46/487537346.db2.gz PGNOBGJHERQTQN-UHFFFAOYSA-N 0 3 236.359 3.106 20 0 BGADHN Cc1ccc(CN2CCC[C@H](C3CC3)C2)cn1 ZINC000685476407 487537273 /nfs/dbraw/zinc/53/72/73/487537273.db2.gz PEVXLVMAIBHRAW-HNNXBMFYSA-N 0 3 230.355 3.012 20 0 BGADHN Cc1ccc(CN2CCC[C@@H](C3CC3)C2)cn1 ZINC000685476408 488047575 /nfs/dbraw/zinc/04/75/75/488047575.db2.gz PEVXLVMAIBHRAW-OAHLLOKOSA-N 0 3 230.355 3.012 20 0 BGADHN Cc1nc(C)c(CN(C)[C@@H](C)C(C)(C)C)o1 ZINC000685561176 487543582 /nfs/dbraw/zinc/54/35/82/487543582.db2.gz NSMQXTKFVQMYQZ-JTQLQIEISA-N 0 3 224.348 3.158 20 0 BGADHN Cc1nc(C)c(CN(C)[C@H](C)C(C)(C)C)o1 ZINC000685561177 487543805 /nfs/dbraw/zinc/54/38/05/487543805.db2.gz NSMQXTKFVQMYQZ-SNVBAGLBSA-N 0 3 224.348 3.158 20 0 BGADHN CCN(Cc1oc(C)nc1C)C1CCCCC1 ZINC000685561383 487543240 /nfs/dbraw/zinc/54/32/40/487543240.db2.gz GMBDILOTXJSLNE-UHFFFAOYSA-N 0 3 236.359 3.446 20 0 BGADHN Cc1nc(C)c(CN(C)[C@H]2CCC[C@H](C)C2)o1 ZINC000685561389 487544021 /nfs/dbraw/zinc/54/40/21/487544021.db2.gz IDMUYVSNKXXXFS-GWCFXTLKSA-N 0 3 236.359 3.302 20 0 BGADHN Cc1nc(C)c(CN(C)[C@@H]2CCC[C@H](C)C2)o1 ZINC000685561390 487543658 /nfs/dbraw/zinc/54/36/58/487543658.db2.gz IDMUYVSNKXXXFS-GXFFZTMASA-N 0 3 236.359 3.302 20 0 BGADHN Cc1nc(C)c(CN(C)[C@H]2CCC[C@@H](C)C2)o1 ZINC000685561391 487543845 /nfs/dbraw/zinc/54/38/45/487543845.db2.gz IDMUYVSNKXXXFS-MFKMUULPSA-N 0 3 236.359 3.302 20 0 BGADHN Cc1nc(C)c(CN(C)[C@@H]2CCC[C@@H](C)C2)o1 ZINC000685561392 487543174 /nfs/dbraw/zinc/54/31/74/487543174.db2.gz IDMUYVSNKXXXFS-ZWNOBZJWSA-N 0 3 236.359 3.302 20 0 BGADHN Cc1nc(C)c(CN(CCC(C)C)C2CC2)o1 ZINC000685561393 487543693 /nfs/dbraw/zinc/54/36/93/487543693.db2.gz IUBHYHXUDOBSLC-UHFFFAOYSA-N 0 3 236.359 3.302 20 0 BGADHN Cc1nc(C)c(CN([C@H](C)C(C)C)C2CC2)o1 ZINC000685561394 487543884 /nfs/dbraw/zinc/54/38/84/487543884.db2.gz JCQICEBERKEHMN-LLVKDONJSA-N 0 3 236.359 3.300 20 0 BGADHN Cc1nc(C)c(CN([C@@H](C)C(C)C)C2CC2)o1 ZINC000685561395 487543610 /nfs/dbraw/zinc/54/36/10/487543610.db2.gz JCQICEBERKEHMN-NSHDSACASA-N 0 3 236.359 3.300 20 0 BGADHN Cc1nc(C)c(CN([C@@H](C)C2CC2)C2CC2)o1 ZINC000685561404 487543215 /nfs/dbraw/zinc/54/32/15/487543215.db2.gz MYLYJQUCXFISGW-JTQLQIEISA-N 0 3 234.343 3.054 20 0 BGADHN Cc1nc(C)c(CN([C@H](C)C2CC2)C2CC2)o1 ZINC000685561405 487543437 /nfs/dbraw/zinc/54/34/37/487543437.db2.gz MYLYJQUCXFISGW-SNVBAGLBSA-N 0 3 234.343 3.054 20 0 BGADHN CCCCN(Cc1oc(C)nc1C)C1CC1 ZINC000685561421 487544192 /nfs/dbraw/zinc/54/41/92/487544192.db2.gz QHJWNIBPIYIVBW-UHFFFAOYSA-N 0 3 222.332 3.056 20 0 BGADHN Cc1nc(C)c(CN(CC(C)C)C(C)C)o1 ZINC000685561424 487543756 /nfs/dbraw/zinc/54/37/56/487543756.db2.gz QQCXRAWWKQJVJB-UHFFFAOYSA-N 0 3 224.348 3.158 20 0 BGADHN CCCN(Cc1oc(C)nc1C)CC(C)C ZINC000685561984 487543413 /nfs/dbraw/zinc/54/34/13/487543413.db2.gz HVZZOILXGJMHAW-UHFFFAOYSA-N 0 3 224.348 3.159 20 0 BGADHN CCN(Cc1oc(C)nc1C)[C@H](C)C(C)C ZINC000685562016 487543597 /nfs/dbraw/zinc/54/35/97/487543597.db2.gz PJKJRAXQMPEMGS-LLVKDONJSA-N 0 3 224.348 3.158 20 0 BGADHN CCN(Cc1oc(C)nc1C)[C@@H](C)C(C)C ZINC000685562018 487543956 /nfs/dbraw/zinc/54/39/56/487543956.db2.gz PJKJRAXQMPEMGS-NSHDSACASA-N 0 3 224.348 3.158 20 0 BGADHN CCC(CC)N(Cc1oc(C)nc1C)C1CC1 ZINC000685562473 487545392 /nfs/dbraw/zinc/54/53/92/487545392.db2.gz JLGPWRXLKYWBEI-UHFFFAOYSA-N 0 3 236.359 3.444 20 0 BGADHN CCC1(C)CCN(Cc2oc(C)nc2C)CC1 ZINC000685562645 487546049 /nfs/dbraw/zinc/54/60/49/487546049.db2.gz ILNNXKHSCNLOBK-UHFFFAOYSA-N 0 3 236.359 3.304 20 0 BGADHN Cc1nc(C)c(CN(C2CC2)C2CCCC2)o1 ZINC000685563946 487545657 /nfs/dbraw/zinc/54/56/57/487545657.db2.gz JGPILYKEFBAWMF-UHFFFAOYSA-N 0 3 234.343 3.198 20 0 BGADHN Cc1nc(C)c(CN2CCCCC[C@@H]2C)o1 ZINC000685564495 487547183 /nfs/dbraw/zinc/54/71/83/487547183.db2.gz WDGJSVOFFOQJMZ-JTQLQIEISA-N 0 3 222.332 3.056 20 0 BGADHN Cc1nc(C)c(CN2CCCCC[C@H]2C)o1 ZINC000685564496 487546502 /nfs/dbraw/zinc/54/65/02/487546502.db2.gz WDGJSVOFFOQJMZ-SNVBAGLBSA-N 0 3 222.332 3.056 20 0 BGADHN CC[C@@H]1CCCN(Cc2oc(C)nc2C)CC1 ZINC000685564716 487546842 /nfs/dbraw/zinc/54/68/42/487546842.db2.gz GAUYYXLYTGXHQJ-CYBMUJFWSA-N 0 3 236.359 3.304 20 0 BGADHN CC[C@H]1CCCN(Cc2oc(C)nc2C)CC1 ZINC000685564717 487546784 /nfs/dbraw/zinc/54/67/84/487546784.db2.gz GAUYYXLYTGXHQJ-ZDUSSCGKSA-N 0 3 236.359 3.304 20 0 BGADHN Cc1nc(C)c(CN2C3CCCC2CCC3)o1 ZINC000685565194 487546526 /nfs/dbraw/zinc/54/65/26/487546526.db2.gz HINITKIABJPURO-UHFFFAOYSA-N 0 3 234.343 3.198 20 0 BGADHN Cc1nc(C)c(CN2CCC(C(C)C)CC2)o1 ZINC000685565236 487546466 /nfs/dbraw/zinc/54/64/66/487546466.db2.gz PLCZEUUMFNIPKS-UHFFFAOYSA-N 0 3 236.359 3.159 20 0 BGADHN CC[C@@]1(C)CCCN(Cc2oc(C)nc2C)C1 ZINC000685565635 487548763 /nfs/dbraw/zinc/54/87/63/487548763.db2.gz OSHCTESYMWXSJL-AWEZNQCLSA-N 0 3 236.359 3.304 20 0 BGADHN CC[C@]1(C)CCCN(Cc2oc(C)nc2C)C1 ZINC000685565636 487548910 /nfs/dbraw/zinc/54/89/10/487548910.db2.gz OSHCTESYMWXSJL-CQSZACIVSA-N 0 3 236.359 3.304 20 0 BGADHN Cc1nc(C)c(CN2CC[C@H](CC(C)C)C2)o1 ZINC000685565749 487548281 /nfs/dbraw/zinc/54/82/81/487548281.db2.gz JMSAZYCHFFOQKF-CYBMUJFWSA-N 0 3 236.359 3.159 20 0 BGADHN Cc1nc(C)c(CN2CC[C@@H](CC(C)C)C2)o1 ZINC000685565750 487549233 /nfs/dbraw/zinc/54/92/33/487549233.db2.gz JMSAZYCHFFOQKF-ZDUSSCGKSA-N 0 3 236.359 3.159 20 0 BGADHN CC[C@H](C)CN(CC)Cc1oc(C)nc1C ZINC000685566184 488076608 /nfs/dbraw/zinc/07/66/08/488076608.db2.gz PGMGXSUUBIJXGR-JTQLQIEISA-N 0 3 224.348 3.159 20 0 BGADHN CC[C@@H](C)CN(CC)Cc1oc(C)nc1C ZINC000685566185 488076756 /nfs/dbraw/zinc/07/67/56/488076756.db2.gz PGMGXSUUBIJXGR-SNVBAGLBSA-N 0 3 224.348 3.159 20 0 BGADHN CCC[C@@H]1CCCN(Cc2oc(C)nc2C)C1 ZINC000685566584 487548868 /nfs/dbraw/zinc/54/88/68/487548868.db2.gz VTRVKDODXXOXMI-CYBMUJFWSA-N 0 3 236.359 3.304 20 0 BGADHN CCC[C@H]1CCCN(Cc2oc(C)nc2C)C1 ZINC000685566586 487549245 /nfs/dbraw/zinc/54/92/45/487549245.db2.gz VTRVKDODXXOXMI-ZDUSSCGKSA-N 0 3 236.359 3.304 20 0 BGADHN CCC1(CC)CCN(Cc2oc(C)nc2C)C1 ZINC000685566853 487549099 /nfs/dbraw/zinc/54/90/99/487549099.db2.gz PZNAHHUVRIUUHA-UHFFFAOYSA-N 0 3 236.359 3.304 20 0 BGADHN Cc1nc(C)c(CN(C(C)C)C2CCC2)o1 ZINC000685568487 487550075 /nfs/dbraw/zinc/55/00/75/487550075.db2.gz KIVFYYZFMHEHMI-UHFFFAOYSA-N 0 3 222.332 3.054 20 0 BGADHN Cc1nc(C)c(CN2CC[C@@H](C)C3(CCC3)C2)o1 ZINC000685570616 487552661 /nfs/dbraw/zinc/55/26/61/487552661.db2.gz IVXUWBWLFBWEFC-LLVKDONJSA-N 0 3 248.370 3.304 20 0 BGADHN Cc1nc(C)c(CN2CC[C@H](C)C3(CCC3)C2)o1 ZINC000685570620 487552568 /nfs/dbraw/zinc/55/25/68/487552568.db2.gz IVXUWBWLFBWEFC-NSHDSACASA-N 0 3 248.370 3.304 20 0 BGADHN Cc1nc(C)c(CN2CC[C@]3(CC[C@@H](C)C3)C2)o1 ZINC000685571985 487552773 /nfs/dbraw/zinc/55/27/73/487552773.db2.gz OLTQBFNGKAYOOF-ABAIWWIYSA-N 0 3 248.370 3.304 20 0 BGADHN Cc1nc(C)c(CN2CC[C@@]3(CC[C@@H](C)C3)C2)o1 ZINC000685571986 487552587 /nfs/dbraw/zinc/55/25/87/487552587.db2.gz OLTQBFNGKAYOOF-IAQYHMDHSA-N 0 3 248.370 3.304 20 0 BGADHN Cc1nc(C)c(CN2CC[C@]3(CC[C@H](C)C3)C2)o1 ZINC000685571987 487552940 /nfs/dbraw/zinc/55/29/40/487552940.db2.gz OLTQBFNGKAYOOF-NHYWBVRUSA-N 0 3 248.370 3.304 20 0 BGADHN Cc1nc(C)c(CN2CC[C@@]3(CC[C@H](C)C3)C2)o1 ZINC000685571988 487552640 /nfs/dbraw/zinc/55/26/40/487552640.db2.gz OLTQBFNGKAYOOF-XHDPSFHLSA-N 0 3 248.370 3.304 20 0 BGADHN Cc1nc(C)c(CN(C)C[C@@H]2CC=CCC2)o1 ZINC000685572295 487552497 /nfs/dbraw/zinc/55/24/97/487552497.db2.gz METYUCHFVMWBDL-CYBMUJFWSA-N 0 3 234.343 3.080 20 0 BGADHN Cc1nc(C)c(CN(C)C[C@H]2CC=CCC2)o1 ZINC000685572296 487552503 /nfs/dbraw/zinc/55/25/03/487552503.db2.gz METYUCHFVMWBDL-ZDUSSCGKSA-N 0 3 234.343 3.080 20 0 BGADHN Cc1nc(C)c(CN2C[C@@H](C)CC(C)(C)C2)o1 ZINC000685572349 487552757 /nfs/dbraw/zinc/55/27/57/487552757.db2.gz VXYYCZNMXAZIIL-JTQLQIEISA-N 0 3 236.359 3.159 20 0 BGADHN Cc1nc(C)c(CN2C[C@H](C)CC(C)(C)C2)o1 ZINC000685572350 487552466 /nfs/dbraw/zinc/55/24/66/487552466.db2.gz VXYYCZNMXAZIIL-SNVBAGLBSA-N 0 3 236.359 3.159 20 0 BGADHN CCC[C@@H]1CCCCN1Cc1oc(C)nc1C ZINC000685572900 487553673 /nfs/dbraw/zinc/55/36/73/487553673.db2.gz XHSFPNPHJKHQLY-CYBMUJFWSA-N 0 3 236.359 3.446 20 0 BGADHN CCC[C@H]1CCCCN1Cc1oc(C)nc1C ZINC000685572901 487553880 /nfs/dbraw/zinc/55/38/80/487553880.db2.gz XHSFPNPHJKHQLY-ZDUSSCGKSA-N 0 3 236.359 3.446 20 0 BGADHN Cc1nc(C)c(CN2CC[C@H](C)C(C)(C)C2)o1 ZINC000685572971 487554011 /nfs/dbraw/zinc/55/40/11/487554011.db2.gz PHWOLBWHCVLYBP-JTQLQIEISA-N 0 3 236.359 3.159 20 0 BGADHN Cc1nc(C)c(CN2CC[C@@H](C)C(C)(C)C2)o1 ZINC000685572972 487554587 /nfs/dbraw/zinc/55/45/87/487554587.db2.gz PHWOLBWHCVLYBP-SNVBAGLBSA-N 0 3 236.359 3.159 20 0 BGADHN Cc1nc(C)c(CN2CCC[C@@H](C(C)C)C2)o1 ZINC000685574722 487553768 /nfs/dbraw/zinc/55/37/68/487553768.db2.gz GKYSGBBUMIHFAL-CYBMUJFWSA-N 0 3 236.359 3.159 20 0 BGADHN Cc1nc(C)c(CN2CCC[C@H](C(C)C)C2)o1 ZINC000685574723 487553653 /nfs/dbraw/zinc/55/36/53/487553653.db2.gz GKYSGBBUMIHFAL-ZDUSSCGKSA-N 0 3 236.359 3.159 20 0 BGADHN Cc1nc(C)c(CN2CC3(CCC3)C[C@@H]2C)o1 ZINC000685575916 487556196 /nfs/dbraw/zinc/55/61/96/487556196.db2.gz IFDXTWQWXRCTDM-JTQLQIEISA-N 0 3 234.343 3.056 20 0 BGADHN Cc1nc(C)c(CN2CC3(CCC3)C[C@H]2C)o1 ZINC000685575917 487556084 /nfs/dbraw/zinc/55/60/84/487556084.db2.gz IFDXTWQWXRCTDM-SNVBAGLBSA-N 0 3 234.343 3.056 20 0 BGADHN Cc1nc(C)c(CN(CC2CCC2)C(C)C)o1 ZINC000685578119 487555554 /nfs/dbraw/zinc/55/55/54/487555554.db2.gz SQYFROHHOUQWQP-UHFFFAOYSA-N 0 3 236.359 3.302 20 0 BGADHN Cc1nc(C)c(CN(C)C2(C)CCCC2)o1 ZINC000685580191 487557294 /nfs/dbraw/zinc/55/72/94/487557294.db2.gz SRZDUQTZGLYJOM-UHFFFAOYSA-N 0 3 222.332 3.056 20 0 BGADHN Cc1nc(C)c(CN(CC2CC2)C2CCC2)o1 ZINC000685580276 487556751 /nfs/dbraw/zinc/55/67/51/487556751.db2.gz CORBPJQPIYKPTK-UHFFFAOYSA-N 0 3 234.343 3.056 20 0 BGADHN Cc1nc(C)c(CN(C)[C@@H]2CCC(C)(C)C2)o1 ZINC000685580416 487558179 /nfs/dbraw/zinc/55/81/79/487558179.db2.gz POJIAVRJRNHLDX-GFCCVEGCSA-N 0 3 236.359 3.302 20 0 BGADHN Cc1nc(C)c(CN(C)[C@H]2CCC(C)(C)C2)o1 ZINC000685580417 487558002 /nfs/dbraw/zinc/55/80/02/487558002.db2.gz POJIAVRJRNHLDX-LBPRGKRZSA-N 0 3 236.359 3.302 20 0 BGADHN Cc1nc(C)c(CN2CCC3(CCC3)CC2)o1 ZINC000685585010 487559405 /nfs/dbraw/zinc/55/94/05/487559405.db2.gz NVBRBNSSTPGSLH-UHFFFAOYSA-N 0 3 234.343 3.058 20 0 BGADHN CCC(CC)N(CC)Cc1oc(C)nc1C ZINC000685585721 487558952 /nfs/dbraw/zinc/55/89/52/487558952.db2.gz KVBAPHVTPGHJTL-UHFFFAOYSA-N 0 3 224.348 3.302 20 0 BGADHN Cc1ccccc1CN1CCC(F)(F)[C@H](C)C1 ZINC000685591098 487560969 /nfs/dbraw/zinc/56/09/69/487560969.db2.gz MGWILKFTXQVYSD-GFCCVEGCSA-N 0 3 239.309 3.472 20 0 BGADHN Cc1ccccc1CN1CCC(F)(F)[C@@H](C)C1 ZINC000685591099 487560446 /nfs/dbraw/zinc/56/04/46/487560446.db2.gz MGWILKFTXQVYSD-LBPRGKRZSA-N 0 3 239.309 3.472 20 0 BGADHN C[C@@H]1CN(CCCOC(C)(C)C)CCC1(F)F ZINC000685591131 487552953 /nfs/dbraw/zinc/55/29/53/487552953.db2.gz DVDORKYHSAFLQW-LLVKDONJSA-N 0 3 249.345 3.169 20 0 BGADHN C[C@H]1CN(CCCOC(C)(C)C)CCC1(F)F ZINC000685591132 487552580 /nfs/dbraw/zinc/55/25/80/487552580.db2.gz DVDORKYHSAFLQW-NSHDSACASA-N 0 3 249.345 3.169 20 0 BGADHN Cc1ccnc(CN2CCC(C)(C3CC3)CC2)c1 ZINC000685597087 487562199 /nfs/dbraw/zinc/56/21/99/487562199.db2.gz BTEAEOFFIQNTFS-UHFFFAOYSA-N 0 3 244.382 3.402 20 0 BGADHN Cc1nc(C)c(CN2CCC(C)(C3CC3)CC2)o1 ZINC000685597253 487562239 /nfs/dbraw/zinc/56/22/39/487562239.db2.gz QFPUGUTWXIOCIU-UHFFFAOYSA-N 0 3 248.370 3.304 20 0 BGADHN CCCC[C@@H](C)N(C)Cc1cc(C)ccn1 ZINC000685612046 487563860 /nfs/dbraw/zinc/56/38/60/487563860.db2.gz PHBFHIPPQGERIF-CYBMUJFWSA-N 0 3 220.360 3.401 20 0 BGADHN CCCC[C@H](C)N(C)Cc1cc(C)ccn1 ZINC000685612047 487563672 /nfs/dbraw/zinc/56/36/72/487563672.db2.gz PHBFHIPPQGERIF-ZDUSSCGKSA-N 0 3 220.360 3.401 20 0 BGADHN CCCC[C@H](C)N(C)Cc1oc(C)nc1C ZINC000685612342 487564636 /nfs/dbraw/zinc/56/46/36/487564636.db2.gz FCKVQSFVRBGMHK-JTQLQIEISA-N 0 3 224.348 3.302 20 0 BGADHN CCCC[C@@H](C)N(C)Cc1oc(C)nc1C ZINC000685612343 487563947 /nfs/dbraw/zinc/56/39/47/487563947.db2.gz FCKVQSFVRBGMHK-SNVBAGLBSA-N 0 3 224.348 3.302 20 0 BGADHN Cc1c[nH]nc1CNCCCC1CCCCC1 ZINC000685612814 487564361 /nfs/dbraw/zinc/56/43/61/487564361.db2.gz JISBCLKIBGJNCY-UHFFFAOYSA-N 0 3 235.375 3.168 20 0 BGADHN Cc1c[nH]nc1CNC[C@@H](C)C1CCCCC1 ZINC000685614060 487563718 /nfs/dbraw/zinc/56/37/18/487563718.db2.gz NTVJVLUPOCZBCC-LLVKDONJSA-N 0 3 235.375 3.024 20 0 BGADHN Cc1c[nH]nc1CNC[C@H](C)C1CCCCC1 ZINC000685614061 487564085 /nfs/dbraw/zinc/56/40/85/487564085.db2.gz NTVJVLUPOCZBCC-NSHDSACASA-N 0 3 235.375 3.024 20 0 BGADHN CCCC[C@@H]1CCC[C@H]1NCc1n[nH]cc1C ZINC000685614734 487564194 /nfs/dbraw/zinc/56/41/94/487564194.db2.gz MJWAOECRRYTQHB-CHWSQXEVSA-N 0 3 235.375 3.167 20 0 BGADHN CCCC[C@@H]1CCC[C@@H]1NCc1n[nH]cc1C ZINC000685614735 487564031 /nfs/dbraw/zinc/56/40/31/487564031.db2.gz MJWAOECRRYTQHB-OLZOCXBDSA-N 0 3 235.375 3.167 20 0 BGADHN CCCC[C@H]1CCC[C@H]1NCc1n[nH]cc1C ZINC000685614736 487564131 /nfs/dbraw/zinc/56/41/31/487564131.db2.gz MJWAOECRRYTQHB-QWHCGFSZSA-N 0 3 235.375 3.167 20 0 BGADHN CCCC[C@H]1CCC[C@@H]1NCc1n[nH]cc1C ZINC000685614737 487564072 /nfs/dbraw/zinc/56/40/72/487564072.db2.gz MJWAOECRRYTQHB-STQMWFEESA-N 0 3 235.375 3.167 20 0 BGADHN Cc1c[nH]nc1CN[C@H]1CCC[C@H]1CCC(C)C ZINC000685614738 487564245 /nfs/dbraw/zinc/56/42/45/487564245.db2.gz MSVSWCSWLZRTGB-KBPBESRZSA-N 0 3 249.402 3.413 20 0 BGADHN Cc1c[nH]nc1CN[C@H]1CCC[C@@H]1CCC(C)C ZINC000685614739 487564002 /nfs/dbraw/zinc/56/40/02/487564002.db2.gz MSVSWCSWLZRTGB-KGLIPLIRSA-N 0 3 249.402 3.413 20 0 BGADHN Cc1c[nH]nc1CN[C@@H]1CCC[C@H]1CCC(C)C ZINC000685614740 487563742 /nfs/dbraw/zinc/56/37/42/487563742.db2.gz MSVSWCSWLZRTGB-UONOGXRCSA-N 0 3 249.402 3.413 20 0 BGADHN Cc1c[nH]nc1CN[C@@H]1CCC[C@@H]1CCC(C)C ZINC000685614741 487564603 /nfs/dbraw/zinc/56/46/03/487564603.db2.gz MSVSWCSWLZRTGB-ZIAGYGMSSA-N 0 3 249.402 3.413 20 0 BGADHN Cc1c[nH]nc1CN[C@@H]1CCC[C@@H](C(C)C)C1 ZINC000685615188 487564348 /nfs/dbraw/zinc/56/43/48/487564348.db2.gz RVWBWXBTKWDLEL-CHWSQXEVSA-N 0 3 235.375 3.023 20 0 BGADHN Cc1c[nH]nc1CN[C@H]1CCC[C@@H](C(C)C)C1 ZINC000685615189 487564334 /nfs/dbraw/zinc/56/43/34/487564334.db2.gz RVWBWXBTKWDLEL-OLZOCXBDSA-N 0 3 235.375 3.023 20 0 BGADHN Cc1c[nH]nc1CN[C@@H]1CCC[C@H](C(C)C)C1 ZINC000685615190 487563822 /nfs/dbraw/zinc/56/38/22/487563822.db2.gz RVWBWXBTKWDLEL-QWHCGFSZSA-N 0 3 235.375 3.023 20 0 BGADHN Cc1c[nH]nc1CN[C@H]1CCC[C@H](C(C)C)C1 ZINC000685615191 487563649 /nfs/dbraw/zinc/56/36/49/487563649.db2.gz RVWBWXBTKWDLEL-STQMWFEESA-N 0 3 235.375 3.023 20 0 BGADHN Cc1c[nH]nc1CNCC1(CC(C)C)CCCC1 ZINC000685618010 488094371 /nfs/dbraw/zinc/09/43/71/488094371.db2.gz KPHOOYFSQRNJSX-UHFFFAOYSA-N 0 3 249.402 3.414 20 0 BGADHN Cc1c[nH]nc1CNC1CCC(C(C)C)CC1 ZINC000685618385 487566266 /nfs/dbraw/zinc/56/62/66/487566266.db2.gz PNONIPMPNZBKBN-UHFFFAOYSA-N 0 3 235.375 3.023 20 0 BGADHN Cc1c[nH]nc1CNCC1CCC(C(C)C)CC1 ZINC000685618613 487565465 /nfs/dbraw/zinc/56/54/65/487565465.db2.gz GSWFSQGJGHLJIJ-UHFFFAOYSA-N 0 3 249.402 3.270 20 0 BGADHN CCCC[C@@H](CCC)CNCc1n[nH]cc1C ZINC000685618803 487565351 /nfs/dbraw/zinc/56/53/51/487565351.db2.gz VHKUKBQMPPHBFU-CYBMUJFWSA-N 0 3 237.391 3.414 20 0 BGADHN CCCC[C@H](CCC)CNCc1n[nH]cc1C ZINC000685618804 487565670 /nfs/dbraw/zinc/56/56/70/487565670.db2.gz VHKUKBQMPPHBFU-ZDUSSCGKSA-N 0 3 237.391 3.414 20 0 BGADHN Cc1c[nH]nc1CNCC(C)(C)C1CCCCC1 ZINC000685619722 487565789 /nfs/dbraw/zinc/56/57/89/487565789.db2.gz SRMGMKHWUAUDLJ-UHFFFAOYSA-N 0 3 249.402 3.414 20 0 BGADHN Cc1c[nH]nc1CNCC1(C)CCCCCC1 ZINC000685620007 487565288 /nfs/dbraw/zinc/56/52/88/487565288.db2.gz LWWYOZLDBILYFE-UHFFFAOYSA-N 0 3 235.375 3.168 20 0 BGADHN Cc1c[nH]nc1CN[C@H]1CCC[C@H](C(C)C)CC1 ZINC000685620614 487565960 /nfs/dbraw/zinc/56/59/60/487565960.db2.gz DJPACLKSIWLRCU-KBPBESRZSA-N 0 3 249.402 3.413 20 0 BGADHN Cc1c[nH]nc1CN[C@H]1CCC[C@@H](C(C)C)CC1 ZINC000685620615 487565398 /nfs/dbraw/zinc/56/53/98/487565398.db2.gz DJPACLKSIWLRCU-KGLIPLIRSA-N 0 3 249.402 3.413 20 0 BGADHN Cc1c[nH]nc1CN[C@@H]1CCC[C@H](C(C)C)CC1 ZINC000685620616 487565636 /nfs/dbraw/zinc/56/56/36/487565636.db2.gz DJPACLKSIWLRCU-UONOGXRCSA-N 0 3 249.402 3.413 20 0 BGADHN Cc1c[nH]nc1CN[C@@H]1CCC[C@@H](C(C)C)CC1 ZINC000685620617 487565757 /nfs/dbraw/zinc/56/57/57/487565757.db2.gz DJPACLKSIWLRCU-ZIAGYGMSSA-N 0 3 249.402 3.413 20 0 BGADHN Cc1c[nH]nc1CNCC(C)(C)C1=CCCCC1 ZINC000685620696 487566061 /nfs/dbraw/zinc/56/60/61/487566061.db2.gz NQLPDEOJNJZOGW-UHFFFAOYSA-N 0 3 247.386 3.334 20 0 BGADHN CCCC[C@@H](CC)NCc1ncccc1N(C)C ZINC000685660437 487572414 /nfs/dbraw/zinc/57/24/14/487572414.db2.gz DQUMOEWWUPDVDY-CYBMUJFWSA-N 0 3 249.402 3.206 20 0 BGADHN CCCC[C@H](CC)NCc1ncccc1N(C)C ZINC000685660438 487572033 /nfs/dbraw/zinc/57/20/33/487572033.db2.gz DQUMOEWWUPDVDY-ZDUSSCGKSA-N 0 3 249.402 3.206 20 0 BGADHN CCCCN(CCCC)Cc1n[nH]cc1C ZINC000685832653 488115414 /nfs/dbraw/zinc/11/54/14/488115414.db2.gz ASNUTFJBUVTADJ-UHFFFAOYSA-N 0 3 223.364 3.120 20 0 BGADHN CCN(Cc1[nH]ncc1C)Cc1ccc(C)cc1 ZINC000685833744 487582395 /nfs/dbraw/zinc/58/23/95/487582395.db2.gz QCRPISMNXQDNCN-UHFFFAOYSA-N 0 3 243.354 3.049 20 0 BGADHN Cc1c[nH]nc1CN(C1CC1)C1CCCCC1 ZINC000685833839 487581532 /nfs/dbraw/zinc/58/15/32/487581532.db2.gz AICDTYAJQHVVAE-UHFFFAOYSA-N 0 3 233.359 3.015 20 0 BGADHN Cc1c[nH]nc1CN(CC1CC1)C1CCCCC1 ZINC000685835904 487583370 /nfs/dbraw/zinc/58/33/70/487583370.db2.gz MYEHQRZCMFDOHA-UHFFFAOYSA-N 0 3 247.386 3.263 20 0 BGADHN Cc1c[nH]nc1CN(CC(C)C)CC(C)(C)C ZINC000685838284 487583498 /nfs/dbraw/zinc/58/34/98/487583498.db2.gz XYHWNHCZYYBFOQ-UHFFFAOYSA-N 0 3 237.391 3.222 20 0 BGADHN CCCCC[C@@H]1CCCN1Cc1n[nH]cc1C ZINC000685838896 487585528 /nfs/dbraw/zinc/58/55/28/487585528.db2.gz BVILEDOQBIISCY-CYBMUJFWSA-N 0 3 235.375 3.263 20 0 BGADHN CCCCC[C@H]1CCCN1Cc1n[nH]cc1C ZINC000685838897 487585640 /nfs/dbraw/zinc/58/56/40/487585640.db2.gz BVILEDOQBIISCY-ZDUSSCGKSA-N 0 3 235.375 3.263 20 0 BGADHN C[C@H]1CCN(CC2Cc3ccccc3C2)C[C@H]1F ZINC000685843113 487586300 /nfs/dbraw/zinc/58/63/00/487586300.db2.gz OFNXTFGNCFSHBW-BLLLJJGKSA-N 0 3 247.357 3.081 20 0 BGADHN C[C@H]1CCN(CC2Cc3ccccc3C2)C[C@@H]1F ZINC000685843114 487586862 /nfs/dbraw/zinc/58/68/62/487586862.db2.gz OFNXTFGNCFSHBW-LRDDRELGSA-N 0 3 247.357 3.081 20 0 BGADHN C[C@@H]1CCN(CC2Cc3ccccc3C2)C[C@H]1F ZINC000685843115 487586148 /nfs/dbraw/zinc/58/61/48/487586148.db2.gz OFNXTFGNCFSHBW-MLGOLLRUSA-N 0 3 247.357 3.081 20 0 BGADHN C[C@@H]1CCN(CC2Cc3ccccc3C2)C[C@@H]1F ZINC000685843116 487586379 /nfs/dbraw/zinc/58/63/79/487586379.db2.gz OFNXTFGNCFSHBW-WBMJQRKESA-N 0 3 247.357 3.081 20 0 BGADHN Cc1cn[nH]c1CN(C)C(C)(C)c1ccccc1 ZINC000685846838 487587804 /nfs/dbraw/zinc/58/78/04/487587804.db2.gz KKWARANOVJSEMN-UHFFFAOYSA-N 0 3 243.354 3.085 20 0 BGADHN Cc1c[nH]nc1CN1CC[C@@H](C(C)(C)C)C[C@H]1C ZINC000685847830 490282117 /nfs/dbraw/zinc/28/21/17/490282117.db2.gz FAKKKTXZUSVQGH-CHWSQXEVSA-N 0 3 249.402 3.365 20 0 BGADHN Cc1c[nH]nc1CN1CC[C@H](C(C)(C)C)C[C@H]1C ZINC000685847832 490282305 /nfs/dbraw/zinc/28/23/05/490282305.db2.gz FAKKKTXZUSVQGH-OLZOCXBDSA-N 0 3 249.402 3.365 20 0 BGADHN Cc1c[nH]nc1CN1CC[C@@H](C(C)(C)C)C[C@@H]1C ZINC000685847838 490282664 /nfs/dbraw/zinc/28/26/64/490282664.db2.gz FAKKKTXZUSVQGH-QWHCGFSZSA-N 0 3 249.402 3.365 20 0 BGADHN Cc1c[nH]nc1CN1CC[C@H](C(C)(C)C)C[C@@H]1C ZINC000685847844 490282163 /nfs/dbraw/zinc/28/21/63/490282163.db2.gz FAKKKTXZUSVQGH-STQMWFEESA-N 0 3 249.402 3.365 20 0 BGADHN C[C@H](CF)NCCc1ccc(C(C)(C)C)cc1 ZINC000685847957 487587841 /nfs/dbraw/zinc/58/78/41/487587841.db2.gz XUPSZQKSAUNCNT-GFCCVEGCSA-N 0 3 237.362 3.474 20 0 BGADHN CC1(C)CN(Cc2ccc(O)cc2)[C@H]1C1CC1 ZINC000685850056 488133458 /nfs/dbraw/zinc/13/34/58/488133458.db2.gz QZXALUOVCGYJES-AWEZNQCLSA-N 0 3 231.339 3.013 20 0 BGADHN CC1(C)CN(Cc2ccc(O)cc2)[C@@H]1C1CC1 ZINC000685850057 488133392 /nfs/dbraw/zinc/13/33/92/488133392.db2.gz QZXALUOVCGYJES-CQSZACIVSA-N 0 3 231.339 3.013 20 0 BGADHN Oc1ccc(CN2CC3(CCC3)[C@@H]2C2CC2)cc1 ZINC000685850181 487589500 /nfs/dbraw/zinc/58/95/00/487589500.db2.gz JQOQXVKSJOWFOJ-HNNXBMFYSA-N 0 3 243.350 3.157 20 0 BGADHN Oc1ccc(CN2CC3(CCC3)[C@H]2C2CC2)cc1 ZINC000685850182 487589391 /nfs/dbraw/zinc/58/93/91/487589391.db2.gz JQOQXVKSJOWFOJ-OAHLLOKOSA-N 0 3 243.350 3.157 20 0 BGADHN c1ccc2c(c1)nccc2N1CCC2(CC2)C1 ZINC000685918241 487596502 /nfs/dbraw/zinc/59/65/02/487596502.db2.gz HTQXTLSFZGAFGX-UHFFFAOYSA-N 0 3 224.307 3.225 20 0 BGADHN FC(F)[C@H]1CCN(c2ccnc3ccccc32)C1 ZINC000685919529 487597317 /nfs/dbraw/zinc/59/73/17/487597317.db2.gz JJTFASFXXJFRTH-JTQLQIEISA-N 0 3 248.276 3.326 20 0 BGADHN FC(F)[C@@H]1CCN(c2ccnc3ccccc32)C1 ZINC000685919530 487597420 /nfs/dbraw/zinc/59/74/20/487597420.db2.gz JJTFASFXXJFRTH-SNVBAGLBSA-N 0 3 248.276 3.326 20 0 BGADHN COc1ccc([C@@H](C)N[C@H]2C=CCC2)c(OC)c1 ZINC000700488586 711994625 /nfs/dbraw/zinc/99/46/25/711994625.db2.gz HXUKPBXEMDCVML-NEPJUHHUSA-N 0 3 247.338 3.073 20 0 BGADHN COc1ccc([C@H](C)N[C@@H]2C=CCC2)c(OC)c1 ZINC000700488587 711994692 /nfs/dbraw/zinc/99/46/92/711994692.db2.gz HXUKPBXEMDCVML-NWDGAFQWSA-N 0 3 247.338 3.073 20 0 BGADHN COc1ccc([C@H](C)N[C@H]2C=CCC2)c(OC)c1 ZINC000700488588 711994411 /nfs/dbraw/zinc/99/44/11/711994411.db2.gz HXUKPBXEMDCVML-RYUDHWBXSA-N 0 3 247.338 3.073 20 0 BGADHN COc1ccc([C@@H](C)N[C@@H]2C=CCC2)c(OC)c1 ZINC000700488589 711994745 /nfs/dbraw/zinc/99/47/45/711994745.db2.gz HXUKPBXEMDCVML-VXGBXAGGSA-N 0 3 247.338 3.073 20 0 BGADHN Fc1cc(Cl)cc(CN[C@@H]2C=CCC2)c1 ZINC000700490497 711994380 /nfs/dbraw/zinc/99/43/80/711994380.db2.gz XBABDFBPHDXMPF-GFCCVEGCSA-N 0 3 225.694 3.287 20 0 BGADHN Fc1cc(Cl)cc(CN[C@H]2C=CCC2)c1 ZINC000700490499 711994296 /nfs/dbraw/zinc/99/42/96/711994296.db2.gz XBABDFBPHDXMPF-LBPRGKRZSA-N 0 3 225.694 3.287 20 0 BGADHN FC(F)Oc1ccccc1CN[C@@H]1C=CCC1 ZINC000700567220 711996584 /nfs/dbraw/zinc/99/65/84/711996584.db2.gz YGQGRGLOSCATHM-LLVKDONJSA-N 0 3 239.265 3.096 20 0 BGADHN FC(F)Oc1ccccc1CN[C@H]1C=CCC1 ZINC000700567222 711996693 /nfs/dbraw/zinc/99/66/93/711996693.db2.gz YGQGRGLOSCATHM-NSHDSACASA-N 0 3 239.265 3.096 20 0 BGADHN C[C@@H](N[C@@H]1C=CCC1)c1ccccc1F ZINC000700578825 711997911 /nfs/dbraw/zinc/99/79/11/711997911.db2.gz CIGUKKVHASJYMB-GHMZBOCLSA-N 0 3 205.276 3.195 20 0 BGADHN C[C@@H](N[C@H]1C=CCC1)c1ccccc1F ZINC000700578826 711997918 /nfs/dbraw/zinc/99/79/18/711997918.db2.gz CIGUKKVHASJYMB-MNOVXSKESA-N 0 3 205.276 3.195 20 0 BGADHN C[C@H](N[C@H]1C=CCC1)c1ccccc1F ZINC000700578827 711997731 /nfs/dbraw/zinc/99/77/31/711997731.db2.gz CIGUKKVHASJYMB-QWRGUYRKSA-N 0 3 205.276 3.195 20 0 BGADHN C[C@H](N[C@@H]1C=CCC1)c1ccccc1F ZINC000700578828 711997638 /nfs/dbraw/zinc/99/76/38/711997638.db2.gz CIGUKKVHASJYMB-WDEREUQCSA-N 0 3 205.276 3.195 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2C=CCC2)c(C)o1 ZINC000700579563 711997928 /nfs/dbraw/zinc/99/79/28/711997928.db2.gz JFLJIAAGLLSFSA-CMPLNLGQSA-N 0 3 205.301 3.266 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2C=CCC2)c(C)o1 ZINC000700579566 711997949 /nfs/dbraw/zinc/99/79/49/711997949.db2.gz JFLJIAAGLLSFSA-JQWIXIFHSA-N 0 3 205.301 3.266 20 0 BGADHN Cc1cc([C@@H](C)N[C@H]2C=CCC2)c(C)o1 ZINC000700579568 711997689 /nfs/dbraw/zinc/99/76/89/711997689.db2.gz JFLJIAAGLLSFSA-PWSUYJOCSA-N 0 3 205.301 3.266 20 0 BGADHN Cc1cc([C@@H](C)N[C@@H]2C=CCC2)c(C)o1 ZINC000700579571 711997920 /nfs/dbraw/zinc/99/79/20/711997920.db2.gz JFLJIAAGLLSFSA-ZYHUDNBSSA-N 0 3 205.301 3.266 20 0 BGADHN CC(C)CC1([NH2+]Cc2ccc([O-])c(F)c2)CC1 ZINC000701483204 712024251 /nfs/dbraw/zinc/02/42/51/712024251.db2.gz NZHVWRQBXUVPQE-UHFFFAOYSA-N 0 3 237.318 3.200 20 0 BGADHN Cc1csc([C@H](C)NC[C@]23C[C@H]2CCC3)n1 ZINC000701892757 712031903 /nfs/dbraw/zinc/03/19/03/712031903.db2.gz UOHRFYLUEWBKDQ-LOWVWBTDSA-N 0 3 236.384 3.292 20 0 BGADHN CSCC[C@@H](C)N[C@H](C)c1nc(C)cs1 ZINC000701940558 712032800 /nfs/dbraw/zinc/03/28/00/712032800.db2.gz MQIUBHSPLTYBSN-PSASIEDQSA-N 0 3 244.429 3.244 20 0 BGADHN CSCC[C@@H](C)N[C@@H](C)c1nc(C)cs1 ZINC000701940898 712032689 /nfs/dbraw/zinc/03/26/89/712032689.db2.gz MQIUBHSPLTYBSN-SCZZXKLOSA-N 0 3 244.429 3.244 20 0 BGADHN CSCC[C@H](C)N[C@H](C)c1nc(C)cs1 ZINC000701940899 712032720 /nfs/dbraw/zinc/03/27/20/712032720.db2.gz MQIUBHSPLTYBSN-WCBMZHEXSA-N 0 3 244.429 3.244 20 0 BGADHN CSCC[C@H](C)N[C@@H](C)c1nc(C)cs1 ZINC000701940901 712032732 /nfs/dbraw/zinc/03/27/32/712032732.db2.gz MQIUBHSPLTYBSN-WPRPVWTQSA-N 0 3 244.429 3.244 20 0 BGADHN CSC(C)(C)CN[C@H](C)c1nc(C)cs1 ZINC000701942316 712032723 /nfs/dbraw/zinc/03/27/23/712032723.db2.gz RBRJPHHKUOHQPC-SECBINFHSA-N 0 3 244.429 3.244 20 0 BGADHN CSC(C)(C)CN[C@@H](C)c1nc(C)cs1 ZINC000701942319 712032814 /nfs/dbraw/zinc/03/28/14/712032814.db2.gz RBRJPHHKUOHQPC-VIFPVBQESA-N 0 3 244.429 3.244 20 0 BGADHN C[C@@H](NC[C@@]1(C)CC1(C)C)c1cscn1 ZINC000701979461 712034793 /nfs/dbraw/zinc/03/47/93/712034793.db2.gz AQZSMHXYXYSXLG-BXKDBHETSA-N 0 3 224.373 3.230 20 0 BGADHN C[C@H](NC[C@]1(C)CC1(C)C)c1cscn1 ZINC000701979462 712034317 /nfs/dbraw/zinc/03/43/17/712034317.db2.gz AQZSMHXYXYSXLG-CABZTGNLSA-N 0 3 224.373 3.230 20 0 BGADHN C[C@H](NC[C@@]1(C)CC1(C)C)c1cscn1 ZINC000701979463 712034598 /nfs/dbraw/zinc/03/45/98/712034598.db2.gz AQZSMHXYXYSXLG-JOYOIKCWSA-N 0 3 224.373 3.230 20 0 BGADHN C[C@@H](NC[C@]1(C)CC1(C)C)c1cscn1 ZINC000701979464 712034544 /nfs/dbraw/zinc/03/45/44/712034544.db2.gz AQZSMHXYXYSXLG-SKDRFNHKSA-N 0 3 224.373 3.230 20 0 BGADHN C[C@@H](NC[C@@]1(C)CC1(C)C)c1nccs1 ZINC000701982374 712034492 /nfs/dbraw/zinc/03/44/92/712034492.db2.gz QRANXVMFSXAMEZ-BXKDBHETSA-N 0 3 224.373 3.230 20 0 BGADHN C[C@H](NC[C@]1(C)CC1(C)C)c1nccs1 ZINC000701982378 712034705 /nfs/dbraw/zinc/03/47/05/712034705.db2.gz QRANXVMFSXAMEZ-CABZTGNLSA-N 0 3 224.373 3.230 20 0 BGADHN C[C@H](NC[C@@]1(C)CC1(C)C)c1nccs1 ZINC000701982380 712034525 /nfs/dbraw/zinc/03/45/25/712034525.db2.gz QRANXVMFSXAMEZ-JOYOIKCWSA-N 0 3 224.373 3.230 20 0 BGADHN C[C@@H](NC[C@]1(C)CC1(C)C)c1nccs1 ZINC000701982384 712034310 /nfs/dbraw/zinc/03/43/10/712034310.db2.gz QRANXVMFSXAMEZ-SKDRFNHKSA-N 0 3 224.373 3.230 20 0 BGADHN Cc1nc(CN[C@]2(C)CC2(C)C)sc1C ZINC000702007406 712035983 /nfs/dbraw/zinc/03/59/83/712035983.db2.gz GCTVUXKGDLCQKT-GFCCVEGCSA-N 0 3 224.373 3.038 20 0 BGADHN Cc1nc(CN[C@@]2(C)CC2(C)C)sc1C ZINC000702007425 712035624 /nfs/dbraw/zinc/03/56/24/712035624.db2.gz GCTVUXKGDLCQKT-LBPRGKRZSA-N 0 3 224.373 3.038 20 0 BGADHN C[C@@H](NCc1ccc(F)cc1)C1(Cl)CC1 ZINC000702312094 712043957 /nfs/dbraw/zinc/04/39/57/712043957.db2.gz IRMRKVSBUSDHMS-SECBINFHSA-N 0 3 227.710 3.075 20 0 BGADHN C[C@H](NCc1ccc(F)cc1)C1(Cl)CC1 ZINC000702312098 712043761 /nfs/dbraw/zinc/04/37/61/712043761.db2.gz IRMRKVSBUSDHMS-VIFPVBQESA-N 0 3 227.710 3.075 20 0 BGADHN Cc1nc(CNCCC2(F)CCC2)sc1C ZINC000702432702 712053399 /nfs/dbraw/zinc/05/33/99/712053399.db2.gz PQPJMGSDNHNUSC-UHFFFAOYSA-N 0 3 242.363 3.132 20 0 BGADHN C[C@@H](F)CCNCc1nc(C(C)(C)C)cs1 ZINC000702620911 712056603 /nfs/dbraw/zinc/05/66/03/712056603.db2.gz HSKCQQICFJYMPI-SECBINFHSA-N 0 3 244.379 3.278 20 0 BGADHN C[C@H](F)CCNCc1nc(C(C)(C)C)cs1 ZINC000702621346 712056619 /nfs/dbraw/zinc/05/66/19/712056619.db2.gz HSKCQQICFJYMPI-VIFPVBQESA-N 0 3 244.379 3.278 20 0 BGADHN Cc1ccc([C@@H](C)NCC2SCCS2)o1 ZINC000703059228 712065613 /nfs/dbraw/zinc/06/56/13/712065613.db2.gz IIGFHCBAXQFHME-SECBINFHSA-N 0 3 243.397 3.045 20 0 BGADHN Cc1ccc([C@H](C)NCC2SCCS2)o1 ZINC000703059230 712065978 /nfs/dbraw/zinc/06/59/78/712065978.db2.gz IIGFHCBAXQFHME-VIFPVBQESA-N 0 3 243.397 3.045 20 0 BGADHN FC1(F)CC[C@@H](NCc2ccc(Cl)cn2)C1 ZINC000703858851 712091147 /nfs/dbraw/zinc/09/11/47/712091147.db2.gz DCDIKENWQVEOOU-SECBINFHSA-N 0 3 246.688 3.012 20 0 BGADHN FC1(F)CC[C@H](NCc2ccc(Cl)cn2)C1 ZINC000703858853 712091211 /nfs/dbraw/zinc/09/12/11/712091211.db2.gz DCDIKENWQVEOOU-VIFPVBQESA-N 0 3 246.688 3.012 20 0 BGADHN CC1(C2(NCc3ccc(Cl)cn3)CC2)CC1 ZINC000703858959 711877541 /nfs/dbraw/zinc/87/75/41/711877541.db2.gz FETIMXUNXBMRFB-UHFFFAOYSA-N 0 3 236.746 3.157 20 0 BGADHN CC1(C)C[C@]1(C)NCc1ccc(Cl)cn1 ZINC000703905174 712093519 /nfs/dbraw/zinc/09/35/19/712093519.db2.gz GKKSQFANZZBGBT-LBPRGKRZSA-N 0 3 224.735 3.013 20 0 BGADHN FC1(CCNCc2ccc(Cl)cn2)CCC1 ZINC000703906708 712093818 /nfs/dbraw/zinc/09/38/18/712093818.db2.gz RHGJLJJLBKSEQK-UHFFFAOYSA-N 0 3 242.725 3.107 20 0 BGADHN Clc1ccc(CNCC2=CCCCC2)nc1 ZINC000703928379 712095228 /nfs/dbraw/zinc/09/52/28/712095228.db2.gz SEEIYKJDJLQXLU-UHFFFAOYSA-N 0 3 236.746 3.325 20 0 BGADHN CC(C)C[C@@H]1C[C@H]1NCc1ccc(Cl)cn1 ZINC000703936069 712094729 /nfs/dbraw/zinc/09/47/29/712094729.db2.gz OGAHBDPOUPUABD-ZWNOBZJWSA-N 0 3 238.762 3.259 20 0 BGADHN Clc1ccc(CN[C@@H]2CC23CCCC3)nc1 ZINC000703939331 712096018 /nfs/dbraw/zinc/09/60/18/712096018.db2.gz KFLZNEXVJMOIFF-GFCCVEGCSA-N 0 3 236.746 3.157 20 0 BGADHN Clc1ccc(CN[C@H]2CC23CCCC3)nc1 ZINC000703939332 712095989 /nfs/dbraw/zinc/09/59/89/712095989.db2.gz KFLZNEXVJMOIFF-LBPRGKRZSA-N 0 3 236.746 3.157 20 0 BGADHN CCCCCC[C@@H](C)NCc1cc(OC)no1 ZINC000705595868 712132020 /nfs/dbraw/zinc/13/20/20/712132020.db2.gz HBGKGQQUWXUYLL-LLVKDONJSA-N 0 3 240.347 3.132 20 0 BGADHN CCCCCC[C@H](C)NCc1cc(OC)no1 ZINC000705595869 712131823 /nfs/dbraw/zinc/13/18/23/712131823.db2.gz HBGKGQQUWXUYLL-NSHDSACASA-N 0 3 240.347 3.132 20 0 BGADHN [O-]c1ccc(C[NH2+]C[C@H]2CCCC23CC3)cc1F ZINC000706279483 712142946 /nfs/dbraw/zinc/14/29/46/712142946.db2.gz SKZOFUABKZXXJR-GFCCVEGCSA-N 0 3 249.329 3.201 20 0 BGADHN [O-]c1ccc(C[NH2+]C[C@@H]2CCCC23CC3)cc1F ZINC000706279485 712142848 /nfs/dbraw/zinc/14/28/48/712142848.db2.gz SKZOFUABKZXXJR-LBPRGKRZSA-N 0 3 249.329 3.201 20 0 BGADHN Cc1cc(CN2[C@H](C)CC[C@H]2C)cc(Cl)n1 ZINC000706478040 712146798 /nfs/dbraw/zinc/14/67/98/712146798.db2.gz SDTWUEUIKUBNCL-GHMZBOCLSA-N 0 3 238.762 3.416 20 0 BGADHN Cc1cc(CN2[C@H](C)CC[C@@H]2C)cc(Cl)n1 ZINC000706478041 712146656 /nfs/dbraw/zinc/14/66/56/712146656.db2.gz SDTWUEUIKUBNCL-PHIMTYICSA-N 0 3 238.762 3.416 20 0 BGADHN Cc1cc(CN2[C@@H](C)CC[C@@H]2C)cc(Cl)n1 ZINC000706478043 712146885 /nfs/dbraw/zinc/14/68/85/712146885.db2.gz SDTWUEUIKUBNCL-QWRGUYRKSA-N 0 3 238.762 3.416 20 0 BGADHN Cc1csc(CNCC[C@@H]2CC=CCC2)n1 ZINC000706834771 712156312 /nfs/dbraw/zinc/15/63/12/712156312.db2.gz IGXQYAFWIPVPGK-GFCCVEGCSA-N 0 3 236.384 3.288 20 0 BGADHN Cc1csc(CNCC[C@H]2CC=CCC2)n1 ZINC000706834772 712156520 /nfs/dbraw/zinc/15/65/20/712156520.db2.gz IGXQYAFWIPVPGK-LBPRGKRZSA-N 0 3 236.384 3.288 20 0 BGADHN C[C@@H](NCc1cc(F)c(F)cc1F)C1(C)CC1 ZINC000706955562 712163679 /nfs/dbraw/zinc/16/36/79/712163679.db2.gz MRYNVIQBWXZWOB-MRVPVSSYSA-N 0 3 243.272 3.382 20 0 BGADHN C[C@H](NCc1cc(F)c(F)cc1F)C1(C)CC1 ZINC000706955563 712163596 /nfs/dbraw/zinc/16/35/96/712163596.db2.gz MRYNVIQBWXZWOB-QMMMGPOBSA-N 0 3 243.272 3.382 20 0 BGADHN Clc1ncccc1CN1CCC2(CC2)CC1 ZINC000707164347 712166215 /nfs/dbraw/zinc/16/62/15/712166215.db2.gz XVHFINKJXVUMAJ-UHFFFAOYSA-N 0 3 236.746 3.111 20 0 BGADHN CSC1CC(Nc2cc(C)cc(C)n2)C1 ZINC000707973677 712174680 /nfs/dbraw/zinc/17/46/80/712174680.db2.gz MEDOPSCUMLROBB-UHFFFAOYSA-N 0 3 222.357 3.004 20 0 BGADHN CO[C@@H]1C[C@@H](Nc2cc(C)cc(C)n2)C12CCC2 ZINC000707981618 712174663 /nfs/dbraw/zinc/17/46/63/712174663.db2.gz YHXXRCBPSWAQSN-CHWSQXEVSA-N 0 3 246.354 3.068 20 0 BGADHN CO[C@H]1C[C@@H](Nc2cc(C)cc(C)n2)C12CCC2 ZINC000707981620 712174453 /nfs/dbraw/zinc/17/44/53/712174453.db2.gz YHXXRCBPSWAQSN-OLZOCXBDSA-N 0 3 246.354 3.068 20 0 BGADHN CO[C@@H]1C[C@H](Nc2cc(C)cc(C)n2)C12CCC2 ZINC000707981622 712174511 /nfs/dbraw/zinc/17/45/11/712174511.db2.gz YHXXRCBPSWAQSN-QWHCGFSZSA-N 0 3 246.354 3.068 20 0 BGADHN CO[C@H]1C[C@H](Nc2cc(C)cc(C)n2)C12CCC2 ZINC000707981624 712174638 /nfs/dbraw/zinc/17/46/38/712174638.db2.gz YHXXRCBPSWAQSN-STQMWFEESA-N 0 3 246.354 3.068 20 0 BGADHN Cc1conc1CN[C@@H]1CCC(C)(C)C[C@@H]1C ZINC000708274666 712184980 /nfs/dbraw/zinc/18/49/80/712184980.db2.gz KQXRTGOJLGLUBQ-CMPLNLGQSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1conc1CN[C@H]1CCC(C)(C)C[C@@H]1C ZINC000708274667 712185363 /nfs/dbraw/zinc/18/53/63/712185363.db2.gz KQXRTGOJLGLUBQ-JQWIXIFHSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1conc1CN[C@H]1CCC(C)(C)C[C@H]1C ZINC000708274668 712185470 /nfs/dbraw/zinc/18/54/70/712185470.db2.gz KQXRTGOJLGLUBQ-PWSUYJOCSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1conc1CN[C@@H]1CCC(C)(C)C[C@H]1C ZINC000708274669 712185679 /nfs/dbraw/zinc/18/56/79/712185679.db2.gz KQXRTGOJLGLUBQ-ZYHUDNBSSA-N 0 3 236.359 3.287 20 0 BGADHN c1n[nH]cc1CN1CCC(C2CCCCC2)CC1 ZINC000708819043 712200074 /nfs/dbraw/zinc/20/00/74/712200074.db2.gz OPKWYQLACBOHJG-UHFFFAOYSA-N 0 3 247.386 3.202 20 0 BGADHN C[C@@H](N[C@@H](C)c1nccn1C)[C@]12C[C@H]1CCCC2 ZINC000708874875 712202070 /nfs/dbraw/zinc/20/20/70/712202070.db2.gz LGTRKVWJSCWKOB-JLNYLFASSA-N 0 3 247.386 3.040 20 0 BGADHN C[C@@H](N[C@@H](C)c1nccn1C)[C@@]12C[C@@H]1CCCC2 ZINC000708874877 712202057 /nfs/dbraw/zinc/20/20/57/712202057.db2.gz LGTRKVWJSCWKOB-SFDCQRBFSA-N 0 3 247.386 3.040 20 0 BGADHN CCCCCC[C@@H](C)NCc1nc(C)c(C)[nH]1 ZINC000708982163 712205252 /nfs/dbraw/zinc/20/52/52/712205252.db2.gz RVRUZDGINNIHRO-LLVKDONJSA-N 0 3 237.391 3.475 20 0 BGADHN CCCCCC[C@H](C)NCc1nc(C)c(C)[nH]1 ZINC000708982165 712205434 /nfs/dbraw/zinc/20/54/34/712205434.db2.gz RVRUZDGINNIHRO-NSHDSACASA-N 0 3 237.391 3.475 20 0 BGADHN Cc1nc(CN[C@H](C)[C@]23C[C@H]2CCCC3)[nH]c1C ZINC000709037335 712205721 /nfs/dbraw/zinc/20/57/21/712205721.db2.gz IDHYKLATCKKQTO-NFAWXSAZSA-N 0 3 247.386 3.085 20 0 BGADHN Cc1nc(CN[C@H](C)[C@@]23C[C@@H]2CCCC3)[nH]c1C ZINC000709037337 712206260 /nfs/dbraw/zinc/20/62/60/712206260.db2.gz IDHYKLATCKKQTO-VNHYZAJKSA-N 0 3 247.386 3.085 20 0 BGADHN CCCCC[C@H](C)NCc1nc(C)c(C)[nH]1 ZINC000709042073 712207193 /nfs/dbraw/zinc/20/71/93/712207193.db2.gz UZHOESBTGDODIU-JTQLQIEISA-N 0 3 223.364 3.085 20 0 BGADHN CCCCC[C@@H](C)NCc1nc(C)c(C)[nH]1 ZINC000709042074 712206829 /nfs/dbraw/zinc/20/68/29/712206829.db2.gz UZHOESBTGDODIU-SNVBAGLBSA-N 0 3 223.364 3.085 20 0 BGADHN Cc1nc(CN2CCCCCCCC2)[nH]c1C ZINC000709069894 711977117 /nfs/dbraw/zinc/97/71/17/711977117.db2.gz UTYGTKHQCASWBA-UHFFFAOYSA-N 0 3 235.375 3.183 20 0 BGADHN Cc1cc(CN[C@H](C)[C@]23C[C@H]2CCCC3)on1 ZINC000709141414 712209839 /nfs/dbraw/zinc/20/98/39/712209839.db2.gz HSBQTUVANCHJGL-BZPMIXESSA-N 0 3 234.343 3.041 20 0 BGADHN Cc1cc(CN[C@H](C)[C@@]23C[C@@H]2CCCC3)on1 ZINC000709141421 712209791 /nfs/dbraw/zinc/20/97/91/712209791.db2.gz HSBQTUVANCHJGL-MBNYWOFBSA-N 0 3 234.343 3.041 20 0 BGADHN C[C@@H](N[C@@H](C)c1ncc[nH]1)[C@@]12C[C@@H]1CCCC2 ZINC000709149529 712210381 /nfs/dbraw/zinc/21/03/81/712210381.db2.gz VYUMUGRFJGCLER-KZVDOYCCSA-N 0 3 233.359 3.029 20 0 BGADHN C[C@@H](N[C@@H](C)c1ncc[nH]1)[C@]12C[C@H]1CCCC2 ZINC000709149546 712210521 /nfs/dbraw/zinc/21/05/21/712210521.db2.gz VYUMUGRFJGCLER-SFTQSGBHSA-N 0 3 233.359 3.029 20 0 BGADHN C[C@H](NCc1cscn1)[C@@]12C[C@@H]1CCCC2 ZINC000709154166 712210545 /nfs/dbraw/zinc/21/05/45/712210545.db2.gz QWJWUPZEGBAEQH-GMXVVIOVSA-N 0 3 236.384 3.202 20 0 BGADHN C[C@H](NCc1cscn1)[C@]12C[C@H]1CCCC2 ZINC000709154170 712210461 /nfs/dbraw/zinc/21/04/61/712210461.db2.gz QWJWUPZEGBAEQH-LOWVWBTDSA-N 0 3 236.384 3.202 20 0 BGADHN C[C@H](NCc1nccs1)[C@@]12C[C@@H]1CCCC2 ZINC000709157539 712211093 /nfs/dbraw/zinc/21/10/93/712211093.db2.gz VXADKOOXDBMNRO-GMXVVIOVSA-N 0 3 236.384 3.202 20 0 BGADHN C[C@H](NCc1nccs1)[C@]12C[C@H]1CCCC2 ZINC000709157545 712211075 /nfs/dbraw/zinc/21/10/75/712211075.db2.gz VXADKOOXDBMNRO-LOWVWBTDSA-N 0 3 236.384 3.202 20 0 BGADHN C[C@@H](NCCCC1CCCCC1)c1cn(C)cn1 ZINC000709922779 712233523 /nfs/dbraw/zinc/23/35/23/712233523.db2.gz XVUHHLAWXVFGOD-CYBMUJFWSA-N 0 3 249.402 3.431 20 0 BGADHN C[C@H](NCCCC1CCCCC1)c1cn(C)cn1 ZINC000709922782 712233798 /nfs/dbraw/zinc/23/37/98/712233798.db2.gz XVUHHLAWXVFGOD-ZDUSSCGKSA-N 0 3 249.402 3.431 20 0 BGADHN C[C@@H](NCC(C)(C)C1=CCCC1)c1cn(C)cn1 ZINC000709977899 712236620 /nfs/dbraw/zinc/23/66/20/712236620.db2.gz WCUZSAFNKVBQFL-GFCCVEGCSA-N 0 3 247.386 3.207 20 0 BGADHN C[C@H](NCC(C)(C)C1=CCCC1)c1cn(C)cn1 ZINC000709977900 712236676 /nfs/dbraw/zinc/23/66/76/712236676.db2.gz WCUZSAFNKVBQFL-LBPRGKRZSA-N 0 3 247.386 3.207 20 0 BGADHN C[C@@H](NCCCC1CCCC1)c1cn(C)cn1 ZINC000710025758 712241586 /nfs/dbraw/zinc/24/15/86/712241586.db2.gz BTHNUZUALIKSAH-GFCCVEGCSA-N 0 3 235.375 3.041 20 0 BGADHN C[C@H](NCCCC1CCCC1)c1cn(C)cn1 ZINC000710025759 712241442 /nfs/dbraw/zinc/24/14/42/712241442.db2.gz BTHNUZUALIKSAH-LBPRGKRZSA-N 0 3 235.375 3.041 20 0 BGADHN CCC(C)(C)[C@H](C)[NH2+]Cc1ccc([O-])c(F)c1 ZINC000710026911 712242185 /nfs/dbraw/zinc/24/21/85/712242185.db2.gz SZMYYCRWXNGLQK-JTQLQIEISA-N 0 3 239.334 3.446 20 0 BGADHN CCC(C)(C)[C@@H](C)[NH2+]Cc1ccc([O-])c(F)c1 ZINC000710026913 712241862 /nfs/dbraw/zinc/24/18/62/712241862.db2.gz SZMYYCRWXNGLQK-SNVBAGLBSA-N 0 3 239.334 3.446 20 0 BGADHN C[C@@H](CC1CCC1)[NH2+]Cc1ccc([O-])c(F)c1 ZINC000710274633 712250166 /nfs/dbraw/zinc/25/01/66/712250166.db2.gz DXICVRBVLVQFPU-JTQLQIEISA-N 0 3 237.318 3.200 20 0 BGADHN C[C@H](CC1CCC1)[NH2+]Cc1ccc([O-])c(F)c1 ZINC000710274636 712250227 /nfs/dbraw/zinc/25/02/27/712250227.db2.gz DXICVRBVLVQFPU-SNVBAGLBSA-N 0 3 237.318 3.200 20 0 BGADHN Cc1nc(CNC[C@]23C[C@H]2CCC3)sc1C ZINC000710479693 712253825 /nfs/dbraw/zinc/25/38/25/712253825.db2.gz CUUIYTYZYXCVRO-YPMHNXCESA-N 0 3 236.384 3.040 20 0 BGADHN Cc1nc([C@H](C)NC[C@]23C[C@H]2CCC3)cs1 ZINC000710508947 712253764 /nfs/dbraw/zinc/25/37/64/712253764.db2.gz CTLNPJQKIJIVCC-NDMJEZRESA-N 0 3 236.384 3.292 20 0 BGADHN Cc1cnc(CNC[C@@]23C[C@@H]2CCCC3)s1 ZINC000710516943 712254339 /nfs/dbraw/zinc/25/43/39/712254339.db2.gz BZRYXZTWBWKFKC-WCQYABFASA-N 0 3 236.384 3.121 20 0 BGADHN Cc1cnc(CNC[C@]23C[C@H]2CCCC3)s1 ZINC000710516945 712254215 /nfs/dbraw/zinc/25/42/15/712254215.db2.gz BZRYXZTWBWKFKC-YPMHNXCESA-N 0 3 236.384 3.121 20 0 BGADHN C[C@@H](N[C@H]1COC[C@H]1C)c1ccccc1Cl ZINC000710876813 712260694 /nfs/dbraw/zinc/26/06/94/712260694.db2.gz MTVQECMIJJBBCG-BREBYQMCSA-N 0 3 239.746 3.026 20 0 BGADHN C[C@@H](N[C@H]1COC[C@@H]1C)c1ccccc1Cl ZINC000710876817 712260602 /nfs/dbraw/zinc/26/06/02/712260602.db2.gz MTVQECMIJJBBCG-CWSCBRNRSA-N 0 3 239.746 3.026 20 0 BGADHN C[C@@H](N[C@@H]1COC[C@H]1C)c1ccccc1Cl ZINC000710876821 712260657 /nfs/dbraw/zinc/26/06/57/712260657.db2.gz MTVQECMIJJBBCG-GIPNMCIBSA-N 0 3 239.746 3.026 20 0 BGADHN C[C@@H](N[C@@H]1COC[C@@H]1C)c1ccccc1Cl ZINC000710876828 712260957 /nfs/dbraw/zinc/26/09/57/712260957.db2.gz MTVQECMIJJBBCG-OPQQBVKSSA-N 0 3 239.746 3.026 20 0 BGADHN C[C@H](N[C@H]1C[C@@H]2CC[C@@H](C2)C1)c1cscn1 ZINC000710896883 712261931 /nfs/dbraw/zinc/26/19/31/712261931.db2.gz JJEOBBAKRDIGHO-NNYUYHANSA-N 0 3 236.384 3.372 20 0 BGADHN C[C@@H](N[C@@H]1C[C@@H]2CC[C@@H](C2)C1)c1cscn1 ZINC000710896888 712261958 /nfs/dbraw/zinc/26/19/58/712261958.db2.gz JJEOBBAKRDIGHO-WISYIIOYSA-N 0 3 236.384 3.372 20 0 BGADHN C[C@@H](N[C@H]1C[C@@H]2CC[C@@H](C2)C1)c1cscn1 ZINC000710896892 712261963 /nfs/dbraw/zinc/26/19/63/712261963.db2.gz JJEOBBAKRDIGHO-WYUUTHIRSA-N 0 3 236.384 3.372 20 0 BGADHN C[C@H](N[C@@H]1C[C@@H]2CC[C@@H](C2)C1)c1cscn1 ZINC000710896895 712261879 /nfs/dbraw/zinc/26/18/79/712261879.db2.gz JJEOBBAKRDIGHO-YFKTTZPYSA-N 0 3 236.384 3.372 20 0 BGADHN Cc1nc(CN[C@H]2C[C@@H]3CC[C@@H](C3)C2)cs1 ZINC000711089171 712279715 /nfs/dbraw/zinc/27/97/15/712279715.db2.gz FPWQCYVXTNNPIF-GDNZZTSVSA-N 0 3 236.384 3.120 20 0 BGADHN Cc1nc(CN[C@@H]2C[C@@H]3CC[C@@H](C3)C2)cs1 ZINC000711089173 712279288 /nfs/dbraw/zinc/27/92/88/712279288.db2.gz FPWQCYVXTNNPIF-ZSBIGDGJSA-N 0 3 236.384 3.120 20 0 BGADHN C[C@H](NC[C@@H]1CCC(C)(C)CO1)c1ccoc1 ZINC000711388890 712296687 /nfs/dbraw/zinc/29/66/87/712296687.db2.gz HGIIENBCBJBKNE-AAEUAGOBSA-N 0 3 237.343 3.135 20 0 BGADHN C[C@@H](NC[C@H]1CCC(C)(C)CO1)c1ccoc1 ZINC000711388897 712296614 /nfs/dbraw/zinc/29/66/14/712296614.db2.gz HGIIENBCBJBKNE-DGCLKSJQSA-N 0 3 237.343 3.135 20 0 BGADHN C[C@H](NC[C@H]1CCC(C)(C)CO1)c1ccoc1 ZINC000711388902 712296848 /nfs/dbraw/zinc/29/68/48/712296848.db2.gz HGIIENBCBJBKNE-WCQYABFASA-N 0 3 237.343 3.135 20 0 BGADHN C[C@@H](NC[C@@H]1CCC(C)(C)CO1)c1ccoc1 ZINC000711388909 712296864 /nfs/dbraw/zinc/29/68/64/712296864.db2.gz HGIIENBCBJBKNE-YPMHNXCESA-N 0 3 237.343 3.135 20 0 BGADHN C[C@@H](NC[C@@H]1CCC2(CCC2)O1)c1ccco1 ZINC000711455625 712304268 /nfs/dbraw/zinc/30/42/68/712304268.db2.gz IHWNVLGRCOCSAI-NEPJUHHUSA-N 0 3 235.327 3.032 20 0 BGADHN C[C@H](NC[C@H]1CCC2(CCC2)O1)c1ccco1 ZINC000711455627 712304336 /nfs/dbraw/zinc/30/43/36/712304336.db2.gz IHWNVLGRCOCSAI-NWDGAFQWSA-N 0 3 235.327 3.032 20 0 BGADHN C[C@H](NC[C@@H]1CCC2(CCC2)O1)c1ccco1 ZINC000711455629 712304229 /nfs/dbraw/zinc/30/42/29/712304229.db2.gz IHWNVLGRCOCSAI-RYUDHWBXSA-N 0 3 235.327 3.032 20 0 BGADHN C[C@@H](NC[C@H]1CCC2(CCC2)O1)c1ccco1 ZINC000711455631 712303898 /nfs/dbraw/zinc/30/38/98/712303898.db2.gz IHWNVLGRCOCSAI-VXGBXAGGSA-N 0 3 235.327 3.032 20 0 BGADHN C[C@H](NC[C@@H]1CCC2(CCC2)O1)c1ccoc1 ZINC000711457652 712304772 /nfs/dbraw/zinc/30/47/72/712304772.db2.gz UBUXCCFSYHZHEW-AAEUAGOBSA-N 0 3 235.327 3.032 20 0 BGADHN C[C@@H](NC[C@H]1CCC2(CCC2)O1)c1ccoc1 ZINC000711457653 712304907 /nfs/dbraw/zinc/30/49/07/712304907.db2.gz UBUXCCFSYHZHEW-DGCLKSJQSA-N 0 3 235.327 3.032 20 0 BGADHN C[C@H](NC[C@H]1CCC2(CCC2)O1)c1ccoc1 ZINC000711457654 712304718 /nfs/dbraw/zinc/30/47/18/712304718.db2.gz UBUXCCFSYHZHEW-WCQYABFASA-N 0 3 235.327 3.032 20 0 BGADHN C[C@@H](NC[C@@H]1CCC2(CCC2)O1)c1ccoc1 ZINC000711457655 712304513 /nfs/dbraw/zinc/30/45/13/712304513.db2.gz UBUXCCFSYHZHEW-YPMHNXCESA-N 0 3 235.327 3.032 20 0 BGADHN Cc1ccc([C@@H](C)NC[C@H]2CCC3(CCC3)O2)o1 ZINC000711488987 712306433 /nfs/dbraw/zinc/30/64/33/712306433.db2.gz SQIGPPAKHACGRE-CHWSQXEVSA-N 0 3 249.354 3.340 20 0 BGADHN Cc1ccc([C@@H](C)NC[C@@H]2CCC3(CCC3)O2)o1 ZINC000711488990 712306665 /nfs/dbraw/zinc/30/66/65/712306665.db2.gz SQIGPPAKHACGRE-OLZOCXBDSA-N 0 3 249.354 3.340 20 0 BGADHN Cc1ccc([C@H](C)NC[C@H]2CCC3(CCC3)O2)o1 ZINC000711488992 712306154 /nfs/dbraw/zinc/30/61/54/712306154.db2.gz SQIGPPAKHACGRE-QWHCGFSZSA-N 0 3 249.354 3.340 20 0 BGADHN Cc1ccc([C@H](C)NC[C@@H]2CCC3(CCC3)O2)o1 ZINC000711488993 712306120 /nfs/dbraw/zinc/30/61/20/712306120.db2.gz SQIGPPAKHACGRE-STQMWFEESA-N 0 3 249.354 3.340 20 0 BGADHN Fc1ccccc1CNC[C@H]1CCC2(CCC2)O1 ZINC000711489057 712306419 /nfs/dbraw/zinc/30/64/19/712306419.db2.gz VONFLZPSQHNINQ-CYBMUJFWSA-N 0 3 249.329 3.017 20 0 BGADHN Fc1ccccc1CNC[C@@H]1CCC2(CCC2)O1 ZINC000711489058 712306540 /nfs/dbraw/zinc/30/65/40/712306540.db2.gz VONFLZPSQHNINQ-ZDUSSCGKSA-N 0 3 249.329 3.017 20 0 BGADHN C[C@H](NCCOC1CC1)c1ccccc1Cl ZINC000711673366 712316009 /nfs/dbraw/zinc/31/60/09/712316009.db2.gz YEDUXNVCAZYJOK-JTQLQIEISA-N 0 3 239.746 3.170 20 0 BGADHN C1=C[C@H](CNCc2csc(C3CC3)n2)CC1 ZINC000711677861 712315944 /nfs/dbraw/zinc/31/59/44/712315944.db2.gz FELAJZOPTZKCSI-JTQLQIEISA-N 0 3 234.368 3.076 20 0 BGADHN C1=C[C@@H](CNCc2csc(C3CC3)n2)CC1 ZINC000711677863 712315938 /nfs/dbraw/zinc/31/59/38/712315938.db2.gz FELAJZOPTZKCSI-SNVBAGLBSA-N 0 3 234.368 3.076 20 0 BGADHN Cc1nc([C@H](C)NC[C@@H]2C=CCC2)cs1 ZINC000711681280 712316885 /nfs/dbraw/zinc/31/68/85/712316885.db2.gz VQZCDLYEQRIGGN-GXSJLCMTSA-N 0 3 222.357 3.068 20 0 BGADHN Cc1nc([C@@H](C)NC[C@H]2C=CCC2)cs1 ZINC000711681282 712316912 /nfs/dbraw/zinc/31/69/12/712316912.db2.gz VQZCDLYEQRIGGN-KOLCDFICSA-N 0 3 222.357 3.068 20 0 BGADHN Cc1nc([C@@H](C)NC[C@@H]2C=CCC2)cs1 ZINC000711681283 712316433 /nfs/dbraw/zinc/31/64/33/712316433.db2.gz VQZCDLYEQRIGGN-MWLCHTKSSA-N 0 3 222.357 3.068 20 0 BGADHN Cc1nc([C@H](C)NC[C@H]2C=CCC2)cs1 ZINC000711681287 712316904 /nfs/dbraw/zinc/31/69/04/712316904.db2.gz VQZCDLYEQRIGGN-ONGXEEELSA-N 0 3 222.357 3.068 20 0 BGADHN Fc1cccc(F)c1CNC[C@H]1C=CCC1 ZINC000711726691 712322043 /nfs/dbraw/zinc/32/20/43/712322043.db2.gz GWLMYEHGEHMCAO-JTQLQIEISA-N 0 3 223.266 3.021 20 0 BGADHN Fc1cccc(F)c1CNC[C@@H]1C=CCC1 ZINC000711726692 712322455 /nfs/dbraw/zinc/32/24/55/712322455.db2.gz GWLMYEHGEHMCAO-SNVBAGLBSA-N 0 3 223.266 3.021 20 0 BGADHN c1cn(C2CC2)c(CNCCC2=CCCCC2)n1 ZINC000711740590 712321338 /nfs/dbraw/zinc/32/13/38/712321338.db2.gz WTYQUAWJQDKSLX-UHFFFAOYSA-N 0 3 245.370 3.198 20 0 BGADHN c1cn(C2CC2)c(CNCCC2CCCCC2)n1 ZINC000711745137 712325562 /nfs/dbraw/zinc/32/55/62/712325562.db2.gz GHNXKVULXLKGML-UHFFFAOYSA-N 0 3 247.386 3.278 20 0 BGADHN CC(C)(CCNCc1nccn1C1CC1)C1CC1 ZINC000711745148 712325461 /nfs/dbraw/zinc/32/54/61/712325461.db2.gz GOARZNYFSPOXOS-UHFFFAOYSA-N 0 3 247.386 3.134 20 0 BGADHN CC1(CNCc2nccn2C2CC2)CCCCC1 ZINC000711746497 712323380 /nfs/dbraw/zinc/32/33/80/712323380.db2.gz NHMVYBTVWILSFL-UHFFFAOYSA-N 0 3 247.386 3.278 20 0 BGADHN CC1(C)CCC(NCc2nccn2C2CC2)CC1 ZINC000711746959 712323255 /nfs/dbraw/zinc/32/32/55/712323255.db2.gz QICTUUMPNCRJRQ-UHFFFAOYSA-N 0 3 247.386 3.276 20 0 BGADHN Cc1nc([C@@H](C)NC[C@@H]2C=CCC2)c(C)s1 ZINC000711747552 712323005 /nfs/dbraw/zinc/32/30/05/712323005.db2.gz CJFSIZPSROWGSE-BXKDBHETSA-N 0 3 236.384 3.377 20 0 BGADHN Cc1nc([C@H](C)NC[C@H]2C=CCC2)c(C)s1 ZINC000711747557 712323340 /nfs/dbraw/zinc/32/33/40/712323340.db2.gz CJFSIZPSROWGSE-CABZTGNLSA-N 0 3 236.384 3.377 20 0 BGADHN Cc1nc([C@H](C)NC[C@@H]2C=CCC2)c(C)s1 ZINC000711747560 712323295 /nfs/dbraw/zinc/32/32/95/712323295.db2.gz CJFSIZPSROWGSE-JOYOIKCWSA-N 0 3 236.384 3.377 20 0 BGADHN Cc1nc([C@@H](C)NC[C@H]2C=CCC2)c(C)s1 ZINC000711747562 712322936 /nfs/dbraw/zinc/32/29/36/712322936.db2.gz CJFSIZPSROWGSE-SKDRFNHKSA-N 0 3 236.384 3.377 20 0 BGADHN C[C@@H]1CC[C@H](NCc2nccn2C2CC2)C[C@@H]1C ZINC000711748138 712323747 /nfs/dbraw/zinc/32/37/47/712323747.db2.gz YPUNTGADGKWZOV-AGIUHOORSA-N 0 3 247.386 3.132 20 0 BGADHN C[C@@H]1CC[C@@H](NCc2nccn2C2CC2)C[C@@H]1C ZINC000711748140 712324383 /nfs/dbraw/zinc/32/43/83/712324383.db2.gz YPUNTGADGKWZOV-FRRDWIJNSA-N 0 3 247.386 3.132 20 0 BGADHN C[C@@H]1CC[C@@H](NCc2nccn2C2CC2)C[C@H]1C ZINC000711748141 712324371 /nfs/dbraw/zinc/32/43/71/712324371.db2.gz YPUNTGADGKWZOV-JHJVBQTASA-N 0 3 247.386 3.132 20 0 BGADHN C[C@@H]1CC[C@H](NCc2nccn2C2CC2)C[C@H]1C ZINC000711748143 712324047 /nfs/dbraw/zinc/32/40/47/712324047.db2.gz YPUNTGADGKWZOV-UPJWGTAASA-N 0 3 247.386 3.132 20 0 BGADHN CC[C@@H]1CCC[C@@H](NCc2nccn2C2CC2)C1 ZINC000711748144 712323794 /nfs/dbraw/zinc/32/37/94/712323794.db2.gz YTLCBNRGSUOKPI-CHWSQXEVSA-N 0 3 247.386 3.276 20 0 BGADHN CC[C@@H]1CCC[C@H](NCc2nccn2C2CC2)C1 ZINC000711748146 712323729 /nfs/dbraw/zinc/32/37/29/712323729.db2.gz YTLCBNRGSUOKPI-OLZOCXBDSA-N 0 3 247.386 3.276 20 0 BGADHN CC[C@H]1CCC[C@@H](NCc2nccn2C2CC2)C1 ZINC000711748148 712324181 /nfs/dbraw/zinc/32/41/81/712324181.db2.gz YTLCBNRGSUOKPI-QWHCGFSZSA-N 0 3 247.386 3.276 20 0 BGADHN CC[C@H]1CCC[C@H](NCc2nccn2C2CC2)C1 ZINC000711748149 712324373 /nfs/dbraw/zinc/32/43/73/712324373.db2.gz YTLCBNRGSUOKPI-STQMWFEESA-N 0 3 247.386 3.276 20 0 BGADHN CCC(C)(C)[C@@H](C)NCc1nccn1C1CC1 ZINC000711752456 712324729 /nfs/dbraw/zinc/32/47/29/712324729.db2.gz RJAFKWCUSJGYRQ-LLVKDONJSA-N 0 3 235.375 3.132 20 0 BGADHN CCC(C)(C)[C@H](C)NCc1nccn1C1CC1 ZINC000711752458 712324793 /nfs/dbraw/zinc/32/47/93/712324793.db2.gz RJAFKWCUSJGYRQ-NSHDSACASA-N 0 3 235.375 3.132 20 0 BGADHN C[C@H](CC(C)(C)C)NCc1nccn1C1CC1 ZINC000711755943 712324896 /nfs/dbraw/zinc/32/48/96/712324896.db2.gz KTLAQZATIMDNKU-LLVKDONJSA-N 0 3 235.375 3.132 20 0 BGADHN C[C@@H](CC(C)(C)C)NCc1nccn1C1CC1 ZINC000711755944 712324838 /nfs/dbraw/zinc/32/48/38/712324838.db2.gz KTLAQZATIMDNKU-NSHDSACASA-N 0 3 235.375 3.132 20 0 BGADHN CC(C)(C)C(C)(C)CNCc1nccn1C1CC1 ZINC000711756006 712325434 /nfs/dbraw/zinc/32/54/34/712325434.db2.gz KDECUHSQVPBHMO-UHFFFAOYSA-N 0 3 249.402 3.380 20 0 BGADHN c1cn(C2CC2)c(CNCC2CCCCCC2)n1 ZINC000711782866 712329563 /nfs/dbraw/zinc/32/95/63/712329563.db2.gz HYVVSENEFMVZSS-UHFFFAOYSA-N 0 3 247.386 3.278 20 0 BGADHN CCCC1(CNCc2nccn2C2CC2)CCC1 ZINC000711784731 712330533 /nfs/dbraw/zinc/33/05/33/712330533.db2.gz VEZMMELLFVUJAS-UHFFFAOYSA-N 0 3 247.386 3.278 20 0 BGADHN CC(C)(CNCc1nccn1C1CC1)C1CCC1 ZINC000711790074 712331000 /nfs/dbraw/zinc/33/10/00/712331000.db2.gz ZCEUKCBZCDMQTH-UHFFFAOYSA-N 0 3 247.386 3.134 20 0 BGADHN CCC(C)(C)CCNCc1nccn1C1CC1 ZINC000711793010 712331314 /nfs/dbraw/zinc/33/13/14/712331314.db2.gz AWUHHVQXVDPMEZ-UHFFFAOYSA-N 0 3 235.375 3.134 20 0 BGADHN CC[C@@H](C)C[C@H](C)NCc1nccn1C1CC1 ZINC000711797058 712330987 /nfs/dbraw/zinc/33/09/87/712330987.db2.gz CEVPLDABKXFNSF-NEPJUHHUSA-N 0 3 235.375 3.132 20 0 BGADHN CC[C@H](C)C[C@@H](C)NCc1nccn1C1CC1 ZINC000711797059 712330793 /nfs/dbraw/zinc/33/07/93/712330793.db2.gz CEVPLDABKXFNSF-NWDGAFQWSA-N 0 3 235.375 3.132 20 0 BGADHN CC[C@H](C)C[C@H](C)NCc1nccn1C1CC1 ZINC000711797060 712331288 /nfs/dbraw/zinc/33/12/88/712331288.db2.gz CEVPLDABKXFNSF-RYUDHWBXSA-N 0 3 235.375 3.132 20 0 BGADHN CC[C@@H](C)C[C@@H](C)NCc1nccn1C1CC1 ZINC000711797061 712330950 /nfs/dbraw/zinc/33/09/50/712330950.db2.gz CEVPLDABKXFNSF-VXGBXAGGSA-N 0 3 235.375 3.132 20 0 BGADHN CC(C)CC[C@@H](C)NCc1nccn1C1CC1 ZINC000711797880 712331085 /nfs/dbraw/zinc/33/10/85/712331085.db2.gz DDHQVRLYWMILBG-GFCCVEGCSA-N 0 3 235.375 3.132 20 0 BGADHN CC(C)CC[C@H](C)NCc1nccn1C1CC1 ZINC000711797882 712331298 /nfs/dbraw/zinc/33/12/98/712331298.db2.gz DDHQVRLYWMILBG-LBPRGKRZSA-N 0 3 235.375 3.132 20 0 BGADHN CC(C)(C)CCCNCc1nccn1C1CC1 ZINC000711798949 712331579 /nfs/dbraw/zinc/33/15/79/712331579.db2.gz JAFLCHKYAWURBN-UHFFFAOYSA-N 0 3 235.375 3.134 20 0 BGADHN CCCCC[C@@H](C)NCc1nccn1C1CC1 ZINC000711804614 712331978 /nfs/dbraw/zinc/33/19/78/712331978.db2.gz ZNLJXPYXGJOHAC-GFCCVEGCSA-N 0 3 235.375 3.276 20 0 BGADHN CCCCC[C@H](C)NCc1nccn1C1CC1 ZINC000711804617 712331628 /nfs/dbraw/zinc/33/16/28/712331628.db2.gz ZNLJXPYXGJOHAC-LBPRGKRZSA-N 0 3 235.375 3.276 20 0 BGADHN CC(C)n1ccnc1CN[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000712360619 712407558 /nfs/dbraw/zinc/40/75/58/712407558.db2.gz OOYCVKNQSNIPBL-MELADBBJSA-N 0 3 247.386 3.132 20 0 BGADHN C[C@@H]1C[C@H](N[C@@H]2C[C@@H]3CCCC[C@H]23)c2nccn21 ZINC000712377277 712428298 /nfs/dbraw/zinc/42/82/98/712428298.db2.gz ONOCYAPGLYZAPR-HTOAHKCRSA-N 0 3 245.370 3.057 20 0 BGADHN C[C@@H]1C[C@@H](N[C@@H]2C[C@@H]3CCCC[C@H]23)c2nccn21 ZINC000712377280 712428222 /nfs/dbraw/zinc/42/82/22/712428222.db2.gz ONOCYAPGLYZAPR-MBJXGIAVSA-N 0 3 245.370 3.057 20 0 BGADHN C[C@H]1C[C@@H](N[C@@H]2C[C@@H]3CCCC[C@H]23)c2nccn21 ZINC000712377282 712428219 /nfs/dbraw/zinc/42/82/19/712428219.db2.gz ONOCYAPGLYZAPR-QSLWVIQJSA-N 0 3 245.370 3.057 20 0 BGADHN C[C@H]1C[C@H](N[C@@H]2C[C@@H]3CCCC[C@H]23)c2nccn21 ZINC000712377284 712428253 /nfs/dbraw/zinc/42/82/53/712428253.db2.gz ONOCYAPGLYZAPR-YHQUGGNUSA-N 0 3 245.370 3.057 20 0 BGADHN [O-]c1ccc(C[NH2+][C@@H]2C[C@@H]3CCCC[C@H]23)cc1F ZINC000712378440 712428779 /nfs/dbraw/zinc/42/87/79/712428779.db2.gz PIJLVTCDZUPKHI-SGMGOOAPSA-N 0 3 249.329 3.200 20 0 BGADHN Cc1nc(CN[C@@H]2C[C@@H]3CCCC[C@H]23)cs1 ZINC000712379225 712428661 /nfs/dbraw/zinc/42/86/61/712428661.db2.gz SQLJRIFNHYRQLM-WCFLWFBJSA-N 0 3 236.384 3.120 20 0 BGADHN C[C@H](N[C@@H]1C[C@@H]2CCCC[C@H]12)c1nccs1 ZINC000712380764 712428825 /nfs/dbraw/zinc/42/88/25/712428825.db2.gz XRJMUDJKERUULJ-FIQHERPVSA-N 0 3 236.384 3.372 20 0 BGADHN C[C@@H](N[C@@H]1C[C@@H]2CCCC[C@H]12)c1nccs1 ZINC000712380770 712428856 /nfs/dbraw/zinc/42/88/56/712428856.db2.gz XRJMUDJKERUULJ-NOOOWODRSA-N 0 3 236.384 3.372 20 0 BGADHN C[C@H](N[C@@H]1C[C@@H]2CCCC[C@H]12)c1cscn1 ZINC000712397895 712429193 /nfs/dbraw/zinc/42/91/93/712429193.db2.gz SQKQDNNLIHLMDO-FIQHERPVSA-N 0 3 236.384 3.372 20 0 BGADHN C[C@@H](N[C@@H]1C[C@@H]2CCCC[C@H]12)c1cscn1 ZINC000712397902 712429126 /nfs/dbraw/zinc/42/91/26/712429126.db2.gz SQKQDNNLIHLMDO-NOOOWODRSA-N 0 3 236.384 3.372 20 0 BGADHN Cc1csc(CN[C@@H]2C[C@@H]3CCCC[C@H]23)n1 ZINC000712399411 712429300 /nfs/dbraw/zinc/42/93/00/712429300.db2.gz YLZJCJZBXZWIMF-SDDRHHMPSA-N 0 3 236.384 3.120 20 0 BGADHN Cc1cnc(CN[C@@H]2C[C@@H]3CCCC[C@H]23)s1 ZINC000712436096 712430012 /nfs/dbraw/zinc/43/00/12/712430012.db2.gz DEFUQFROIRIROG-SDDRHHMPSA-N 0 3 236.384 3.120 20 0 BGADHN [O-]c1ccc(C[NH2+]CC[C@@H]2C[C@H]2C2CC2)cc1F ZINC000712631933 712439254 /nfs/dbraw/zinc/43/92/54/712439254.db2.gz RZZKJHQMJBFOQU-OLZOCXBDSA-N 0 3 249.329 3.057 20 0 BGADHN C[C@H](NCC[C@@H]1C[C@H]1C1CC1)c1cscn1 ZINC000712693104 712448128 /nfs/dbraw/zinc/44/81/28/712448128.db2.gz BGKYPYIPKJLRBZ-WCQGTBRESA-N 0 3 236.384 3.230 20 0 BGADHN C[C@H](NCC[C@@H]1C[C@H]1C1CC1)c1nccs1 ZINC000712700694 712448799 /nfs/dbraw/zinc/44/87/99/712448799.db2.gz JTIQMABPCBQLNI-WCQGTBRESA-N 0 3 236.384 3.230 20 0 BGADHN C[C@@H](NCC[C@@H]1C[C@H]1C1CC1)c1cscn1 ZINC000712760628 712449261 /nfs/dbraw/zinc/44/92/61/712449261.db2.gz BGKYPYIPKJLRBZ-JLLWLGSASA-N 0 3 236.384 3.230 20 0 BGADHN C[C@@H](NCC[C@@H]1C[C@H]1C1CC1)c1nccs1 ZINC000712763759 712449441 /nfs/dbraw/zinc/44/94/41/712449441.db2.gz JTIQMABPCBQLNI-JLLWLGSASA-N 0 3 236.384 3.230 20 0 BGADHN CC1(C)CCC[C@H]1NCc1scnc1Cl ZINC000713448014 712460684 /nfs/dbraw/zinc/46/06/84/712460684.db2.gz XFLRXFDORANOEC-SECBINFHSA-N 0 3 244.791 3.465 20 0 BGADHN CC1(C)CCC[C@@H]1NCc1scnc1Cl ZINC000713448015 712460556 /nfs/dbraw/zinc/46/05/56/712460556.db2.gz XFLRXFDORANOEC-VIFPVBQESA-N 0 3 244.791 3.465 20 0 BGADHN Clc1ncsc1CNC1(C2CCC2)CC1 ZINC000713461474 712460925 /nfs/dbraw/zinc/46/09/25/712460925.db2.gz LOBFVYZDFRVYAL-UHFFFAOYSA-N 0 3 242.775 3.219 20 0 BGADHN C=C/C=C/CCN[C@H](C)c1csc(C)n1 ZINC000713463154 712460595 /nfs/dbraw/zinc/46/05/95/712460595.db2.gz CIQOVGUDAHICNY-BRAIEQGRSA-N 0 3 222.357 3.234 20 0 BGADHN C=C/C=C\CCN[C@@H](C)c1csc(C)n1 ZINC000713463158 712460600 /nfs/dbraw/zinc/46/06/00/712460600.db2.gz CIQOVGUDAHICNY-OMMCCPJFSA-N 0 3 222.357 3.234 20 0 BGADHN C=C/C=C/CCN[C@@H](C)c1csc(C)n1 ZINC000713463164 712460866 /nfs/dbraw/zinc/46/08/66/712460866.db2.gz CIQOVGUDAHICNY-PORFMDCZSA-N 0 3 222.357 3.234 20 0 BGADHN C=C/C=C\CCN[C@H](C)c1csc(C)n1 ZINC000713463167 712460994 /nfs/dbraw/zinc/46/09/94/712460994.db2.gz CIQOVGUDAHICNY-WWQCOOJYSA-N 0 3 222.357 3.234 20 0 BGADHN CC(C)CC1(NCc2scnc2Cl)CC1 ZINC000713473597 712461531 /nfs/dbraw/zinc/46/15/31/712461531.db2.gz XNYIUYOEWNZPOL-UHFFFAOYSA-N 0 3 244.791 3.465 20 0 BGADHN CC1(C)CC[C@H]1NCc1scnc1Cl ZINC000713500051 712463372 /nfs/dbraw/zinc/46/33/72/712463372.db2.gz BYLFPXOPDLYBCJ-MRVPVSSYSA-N 0 3 230.764 3.075 20 0 BGADHN CC1(C)CC[C@@H]1NCc1scnc1Cl ZINC000713500052 712463470 /nfs/dbraw/zinc/46/34/70/712463470.db2.gz BYLFPXOPDLYBCJ-QMMMGPOBSA-N 0 3 230.764 3.075 20 0 BGADHN C[C@@H](NCc1scnc1Cl)C(C)(C)C ZINC000713504703 712464040 /nfs/dbraw/zinc/46/40/40/712464040.db2.gz SDGLSDYOOLTQFB-SSDOTTSWSA-N 0 3 232.780 3.321 20 0 BGADHN C[C@@H](NC[C@@H]1CCC(C)(C)CO1)c1ccco1 ZINC000713610357 712467305 /nfs/dbraw/zinc/46/73/05/712467305.db2.gz MBHJMFDRBAUVPP-NEPJUHHUSA-N 0 3 237.343 3.135 20 0 BGADHN C[C@H](NC[C@H]1CCC(C)(C)CO1)c1ccco1 ZINC000713610360 712467143 /nfs/dbraw/zinc/46/71/43/712467143.db2.gz MBHJMFDRBAUVPP-NWDGAFQWSA-N 0 3 237.343 3.135 20 0 BGADHN C[C@H](NC[C@@H]1CCC(C)(C)CO1)c1ccco1 ZINC000713610363 712467206 /nfs/dbraw/zinc/46/72/06/712467206.db2.gz MBHJMFDRBAUVPP-RYUDHWBXSA-N 0 3 237.343 3.135 20 0 BGADHN C[C@@H](NC[C@H]1CCC(C)(C)CO1)c1ccco1 ZINC000713610367 712467344 /nfs/dbraw/zinc/46/73/44/712467344.db2.gz MBHJMFDRBAUVPP-VXGBXAGGSA-N 0 3 237.343 3.135 20 0 BGADHN C=C/C=C\CCN[C@@H](C)c1ncc(C)s1 ZINC000713702658 712469354 /nfs/dbraw/zinc/46/93/54/712469354.db2.gz BGHOVVMKDAIESY-GZTOBOFZSA-N 0 3 222.357 3.234 20 0 BGADHN C=C/C=C\CCN[C@H](C)c1ncc(C)s1 ZINC000713702660 712469498 /nfs/dbraw/zinc/46/94/98/712469498.db2.gz BGHOVVMKDAIESY-ISALQUGTSA-N 0 3 222.357 3.234 20 0 BGADHN C=C/C=C/CCN[C@H](C)c1ncc(C)s1 ZINC000713702662 712469555 /nfs/dbraw/zinc/46/95/55/712469555.db2.gz BGHOVVMKDAIESY-MVIFTORASA-N 0 3 222.357 3.234 20 0 BGADHN C=C/C=C/CCN[C@@H](C)c1ncc(C)s1 ZINC000713702664 712469559 /nfs/dbraw/zinc/46/95/59/712469559.db2.gz BGHOVVMKDAIESY-QRGHLMKCSA-N 0 3 222.357 3.234 20 0 BGADHN C=C/C=C/CCNC(C)(C)c1nccs1 ZINC000713709675 712470179 /nfs/dbraw/zinc/47/01/79/712470179.db2.gz KHHZLZWOHYKDQE-AATRIKPKSA-N 0 3 222.357 3.100 20 0 BGADHN C=C/C=C\CCNC(C)(C)c1nccs1 ZINC000713709676 712469790 /nfs/dbraw/zinc/46/97/90/712469790.db2.gz KHHZLZWOHYKDQE-WAYWQWQTSA-N 0 3 222.357 3.100 20 0 BGADHN C=C/C=C\CCN[C@@H](C)c1nc(C)cs1 ZINC000713713139 712470086 /nfs/dbraw/zinc/47/00/86/712470086.db2.gz XXJBGQSADOMAII-GZTOBOFZSA-N 0 3 222.357 3.234 20 0 BGADHN C=C/C=C\CCN[C@H](C)c1nc(C)cs1 ZINC000713713140 712469903 /nfs/dbraw/zinc/46/99/03/712469903.db2.gz XXJBGQSADOMAII-ISALQUGTSA-N 0 3 222.357 3.234 20 0 BGADHN C=C/C=C/CCN[C@H](C)c1nc(C)cs1 ZINC000713713141 712470005 /nfs/dbraw/zinc/47/00/05/712470005.db2.gz XXJBGQSADOMAII-MVIFTORASA-N 0 3 222.357 3.234 20 0 BGADHN C=C/C=C/CCN[C@@H](C)c1nc(C)cs1 ZINC000713713142 712469942 /nfs/dbraw/zinc/46/99/42/712469942.db2.gz XXJBGQSADOMAII-QRGHLMKCSA-N 0 3 222.357 3.234 20 0 BGADHN C=C/C=C\CCNCc1ccc(Cl)o1 ZINC000713733457 712470595 /nfs/dbraw/zinc/47/05/95/712470595.db2.gz YNQHCMRUFSQSRF-ARJAWSKDSA-N 0 3 211.692 3.155 20 0 BGADHN C=C/C=C/CCNCc1ccc(Cl)o1 ZINC000713733458 712470377 /nfs/dbraw/zinc/47/03/77/712470377.db2.gz YNQHCMRUFSQSRF-ONEGZZNKSA-N 0 3 211.692 3.155 20 0 BGADHN C[C@@H](NC[C@H]1CCCC(C)(C)O1)c1ccccn1 ZINC000714355791 712484107 /nfs/dbraw/zinc/48/41/07/712484107.db2.gz ZGWHSGHYJUROGC-CHWSQXEVSA-N 0 3 248.370 3.080 20 0 BGADHN C[C@@H](NC[C@@H]1CCCC(C)(C)O1)c1ccccn1 ZINC000714355792 712483734 /nfs/dbraw/zinc/48/37/34/712483734.db2.gz ZGWHSGHYJUROGC-OLZOCXBDSA-N 0 3 248.370 3.080 20 0 BGADHN C[C@H](NC[C@H]1CCCC(C)(C)O1)c1ccccn1 ZINC000714355793 712483954 /nfs/dbraw/zinc/48/39/54/712483954.db2.gz ZGWHSGHYJUROGC-QWHCGFSZSA-N 0 3 248.370 3.080 20 0 BGADHN C[C@H](NC[C@@H]1CCCC(C)(C)O1)c1ccccn1 ZINC000714355794 712484163 /nfs/dbraw/zinc/48/41/63/712484163.db2.gz ZGWHSGHYJUROGC-STQMWFEESA-N 0 3 248.370 3.080 20 0 BGADHN Cc1ccoc1CNC[C@H]1CCCC(C)(C)O1 ZINC000714383775 712487039 /nfs/dbraw/zinc/48/70/39/712487039.db2.gz DOJLLIGKUANWSU-GFCCVEGCSA-N 0 3 237.343 3.025 20 0 BGADHN Cc1ccoc1CNC[C@@H]1CCCC(C)(C)O1 ZINC000714383776 712487374 /nfs/dbraw/zinc/48/73/74/712487374.db2.gz DOJLLIGKUANWSU-LBPRGKRZSA-N 0 3 237.343 3.025 20 0 BGADHN Cc1ccc(CNC[C@H]2CCCC(C)(C)O2)o1 ZINC000714385280 712487364 /nfs/dbraw/zinc/48/73/64/712487364.db2.gz MDHQCDJECNTCRD-CYBMUJFWSA-N 0 3 237.343 3.025 20 0 BGADHN Cc1ccc(CNC[C@@H]2CCCC(C)(C)O2)o1 ZINC000714385282 712487055 /nfs/dbraw/zinc/48/70/55/712487055.db2.gz MDHQCDJECNTCRD-ZDUSSCGKSA-N 0 3 237.343 3.025 20 0 BGADHN C[C@@H](NC[C@@H]1CCCC(C)(C)O1)c1ccco1 ZINC000714385726 712487392 /nfs/dbraw/zinc/48/73/92/712487392.db2.gz PMNRBTRRYVLNOT-NEPJUHHUSA-N 0 3 237.343 3.278 20 0 BGADHN C[C@H](NC[C@H]1CCCC(C)(C)O1)c1ccco1 ZINC000714385728 712487335 /nfs/dbraw/zinc/48/73/35/712487335.db2.gz PMNRBTRRYVLNOT-NWDGAFQWSA-N 0 3 237.343 3.278 20 0 BGADHN C[C@H](NC[C@@H]1CCCC(C)(C)O1)c1ccco1 ZINC000714385730 712487109 /nfs/dbraw/zinc/48/71/09/712487109.db2.gz PMNRBTRRYVLNOT-RYUDHWBXSA-N 0 3 237.343 3.278 20 0 BGADHN C[C@@H](NC[C@H]1CCCC(C)(C)O1)c1ccco1 ZINC000714385732 712487189 /nfs/dbraw/zinc/48/71/89/712487189.db2.gz PMNRBTRRYVLNOT-VXGBXAGGSA-N 0 3 237.343 3.278 20 0 BGADHN CC[C@H](NCCOC1CC1)c1ccccc1F ZINC000714950377 712503308 /nfs/dbraw/zinc/50/33/08/712503308.db2.gz PGUJCMRQTZYYCT-AWEZNQCLSA-N 0 3 237.318 3.045 20 0 BGADHN CC[C@@H](NCCOC1CC1)c1ccccc1F ZINC000714950378 712503575 /nfs/dbraw/zinc/50/35/75/712503575.db2.gz PGUJCMRQTZYYCT-CQSZACIVSA-N 0 3 237.318 3.045 20 0 BGADHN Cc1ccc([C@H](C)NC[C@@H]2CC[C@H](C3CC3)O2)o1 ZINC000715473946 712520219 /nfs/dbraw/zinc/52/02/19/712520219.db2.gz STUAMHWKDLDQAM-CORIIIEPSA-N 0 3 249.354 3.196 20 0 BGADHN Cc1ccc([C@H](C)NC[C@H]2CC[C@@H](C3CC3)O2)o1 ZINC000715473948 712520178 /nfs/dbraw/zinc/52/01/78/712520178.db2.gz STUAMHWKDLDQAM-LNSITVRQSA-N 0 3 249.354 3.196 20 0 BGADHN Cc1ccc([C@H](C)NC[C@H]2CC[C@H](C3CC3)O2)o1 ZINC000715473951 712520462 /nfs/dbraw/zinc/52/04/62/712520462.db2.gz STUAMHWKDLDQAM-NJZAAPMLSA-N 0 3 249.354 3.196 20 0 BGADHN Cc1ccc([C@H](C)NC[C@@H]2CC[C@@H](C3CC3)O2)o1 ZINC000715473955 712520103 /nfs/dbraw/zinc/52/01/03/712520103.db2.gz STUAMHWKDLDQAM-WHOFXGATSA-N 0 3 249.354 3.196 20 0 BGADHN C[C@@H](NCC[C@H]1CCCS1)c1nccs1 ZINC000715592757 712527795 /nfs/dbraw/zinc/52/77/95/712527795.db2.gz KLCRRXUMWGVDQP-NXEZZACHSA-N 0 3 242.413 3.079 20 0 BGADHN C[C@H](NCC[C@@H]1CCCS1)c1nccs1 ZINC000715592760 712527873 /nfs/dbraw/zinc/52/78/73/712527873.db2.gz KLCRRXUMWGVDQP-UWVGGRQHSA-N 0 3 242.413 3.079 20 0 BGADHN C[C@H](NCC[C@H]1CCCS1)c1nccs1 ZINC000715592764 712527810 /nfs/dbraw/zinc/52/78/10/712527810.db2.gz KLCRRXUMWGVDQP-VHSXEESVSA-N 0 3 242.413 3.079 20 0 BGADHN C[C@@H](NCC[C@@H]1CCCS1)c1nccs1 ZINC000715592766 712527879 /nfs/dbraw/zinc/52/78/79/712527879.db2.gz KLCRRXUMWGVDQP-ZJUUUORDSA-N 0 3 242.413 3.079 20 0 BGADHN C[C@@H](NCCSC(C)(C)C)c1ccns1 ZINC000715969770 712546623 /nfs/dbraw/zinc/54/66/23/712546623.db2.gz ZORVZSLQHKICFQ-SECBINFHSA-N 0 3 244.429 3.325 20 0 BGADHN C[C@H](NCCSC(C)(C)C)c1ccns1 ZINC000715969773 712546125 /nfs/dbraw/zinc/54/61/25/712546125.db2.gz ZORVZSLQHKICFQ-VIFPVBQESA-N 0 3 244.429 3.325 20 0 BGADHN C[C@@H](NC[C@H]1CCC2(CCC2)CO1)c1ccco1 ZINC000716325897 712554663 /nfs/dbraw/zinc/55/46/63/712554663.db2.gz FFFBNYMGIFTICZ-CHWSQXEVSA-N 0 3 249.354 3.280 20 0 BGADHN C[C@@H](NC[C@@H]1CCC2(CCC2)CO1)c1ccco1 ZINC000716325899 712554636 /nfs/dbraw/zinc/55/46/36/712554636.db2.gz FFFBNYMGIFTICZ-OLZOCXBDSA-N 0 3 249.354 3.280 20 0 BGADHN C[C@H](NC[C@H]1CCC2(CCC2)CO1)c1ccco1 ZINC000716325900 712554659 /nfs/dbraw/zinc/55/46/59/712554659.db2.gz FFFBNYMGIFTICZ-QWHCGFSZSA-N 0 3 249.354 3.280 20 0 BGADHN C[C@H](NC[C@@H]1CCC2(CCC2)CO1)c1ccco1 ZINC000716325901 712554434 /nfs/dbraw/zinc/55/44/34/712554434.db2.gz FFFBNYMGIFTICZ-STQMWFEESA-N 0 3 249.354 3.280 20 0 BGADHN Cc1ccoc1CNC[C@H]1CCC2(CCC2)CO1 ZINC000716326778 712554406 /nfs/dbraw/zinc/55/44/06/712554406.db2.gz KDSKGEFPZHHBLF-CYBMUJFWSA-N 0 3 249.354 3.027 20 0 BGADHN Cc1ccoc1CNC[C@@H]1CCC2(CCC2)CO1 ZINC000716326779 712554410 /nfs/dbraw/zinc/55/44/10/712554410.db2.gz KDSKGEFPZHHBLF-ZDUSSCGKSA-N 0 3 249.354 3.027 20 0 BGADHN Cc1ccc(CNC[C@H]2CCC3(CCC3)CO2)o1 ZINC000716327935 712554419 /nfs/dbraw/zinc/55/44/19/712554419.db2.gz MKIUMPOZEJPXBD-CYBMUJFWSA-N 0 3 249.354 3.027 20 0 BGADHN Cc1ccc(CNC[C@@H]2CCC3(CCC3)CO2)o1 ZINC000716327936 712555189 /nfs/dbraw/zinc/55/51/89/712555189.db2.gz MKIUMPOZEJPXBD-ZDUSSCGKSA-N 0 3 249.354 3.027 20 0 BGADHN CCc1nc(CNCCCCC2CC2)cs1 ZINC000716332379 712554971 /nfs/dbraw/zinc/55/49/71/712554971.db2.gz WEXWCIDLSMUZEK-UHFFFAOYSA-N 0 3 238.400 3.375 20 0 BGADHN Cc1nc(CNCCCCC2CC2)sc1C ZINC000716335024 712555563 /nfs/dbraw/zinc/55/55/63/712555563.db2.gz CNOUNBMDJXDGSH-UHFFFAOYSA-N 0 3 238.400 3.430 20 0 BGADHN C[C@H]1C[C@H](NCCCCC2CC2)c2nccn21 ZINC000716343043 712555555 /nfs/dbraw/zinc/55/55/55/712555555.db2.gz GWLGSDFWAYNBOJ-AAEUAGOBSA-N 0 3 233.359 3.059 20 0 BGADHN C[C@@H]1C[C@@H](NCCCCC2CC2)c2nccn21 ZINC000716343044 712555470 /nfs/dbraw/zinc/55/54/70/712555470.db2.gz GWLGSDFWAYNBOJ-DGCLKSJQSA-N 0 3 233.359 3.059 20 0 BGADHN C[C@H]1C[C@@H](NCCCCC2CC2)c2nccn21 ZINC000716343045 712555487 /nfs/dbraw/zinc/55/54/87/712555487.db2.gz GWLGSDFWAYNBOJ-WCQYABFASA-N 0 3 233.359 3.059 20 0 BGADHN C[C@@H]1C[C@H](NCCCCC2CC2)c2nccn21 ZINC000716343046 712555428 /nfs/dbraw/zinc/55/54/28/712555428.db2.gz GWLGSDFWAYNBOJ-YPMHNXCESA-N 0 3 233.359 3.059 20 0 BGADHN CCc1cnc(CNCCCCC2CC2)s1 ZINC000716348056 712555926 /nfs/dbraw/zinc/55/59/26/712555926.db2.gz AJOOMAPPTRGZNF-UHFFFAOYSA-N 0 3 238.400 3.375 20 0 BGADHN Cc1cnc(CNCCCCC2CC2)s1 ZINC000716350602 712555965 /nfs/dbraw/zinc/55/59/65/712555965.db2.gz LPOMOSNRLAEEPQ-UHFFFAOYSA-N 0 3 224.373 3.121 20 0 BGADHN CC(C)n1ccnc1CNCCCCC1CC1 ZINC000716383570 712557630 /nfs/dbraw/zinc/55/76/30/712557630.db2.gz AGXVOKJANXOVSJ-UHFFFAOYSA-N 0 3 235.375 3.134 20 0 BGADHN Cc1nc(CNCCCCC2CC2)cs1 ZINC000716416619 712559622 /nfs/dbraw/zinc/55/96/22/712559622.db2.gz HPMJENIKANJSMJ-UHFFFAOYSA-N 0 3 224.373 3.121 20 0 BGADHN Cc1csc(CNCCCCC2CC2)n1 ZINC000716416637 712559846 /nfs/dbraw/zinc/55/98/46/712559846.db2.gz HXJXZKUMDLGOSO-UHFFFAOYSA-N 0 3 224.373 3.121 20 0 BGADHN C[C@H](NCCCCC1CC1)c1nccs1 ZINC000716417468 712559596 /nfs/dbraw/zinc/55/95/96/712559596.db2.gz PGXBERJSDVQYEG-JTQLQIEISA-N 0 3 224.373 3.374 20 0 BGADHN C[C@@H](NCCCCC1CC1)c1nccs1 ZINC000716417469 712559662 /nfs/dbraw/zinc/55/96/62/712559662.db2.gz PGXBERJSDVQYEG-SNVBAGLBSA-N 0 3 224.373 3.374 20 0 BGADHN C[C@H](NCCCCC1CC1)c1cscn1 ZINC000716417511 712559566 /nfs/dbraw/zinc/55/95/66/712559566.db2.gz QLHLDBRTUYNQLD-JTQLQIEISA-N 0 3 224.373 3.374 20 0 BGADHN C[C@@H](NCCCCC1CC1)c1cscn1 ZINC000716417512 712559798 /nfs/dbraw/zinc/55/97/98/712559798.db2.gz QLHLDBRTUYNQLD-SNVBAGLBSA-N 0 3 224.373 3.374 20 0 BGADHN CC[C@H](NCc1[nH]nc(C)c1C)c1ccccc1 ZINC000716438214 712560491 /nfs/dbraw/zinc/56/04/91/712560491.db2.gz CDCSFDBHNMDHNO-AWEZNQCLSA-N 0 3 243.354 3.267 20 0 BGADHN CC[C@@H](NCc1[nH]nc(C)c1C)c1ccccc1 ZINC000716438216 712560322 /nfs/dbraw/zinc/56/03/22/712560322.db2.gz CDCSFDBHNMDHNO-CQSZACIVSA-N 0 3 243.354 3.267 20 0 BGADHN Cc1n[nH]c(CN[C@H](C)c2ccccc2C)c1C ZINC000716439074 712560469 /nfs/dbraw/zinc/56/04/69/712560469.db2.gz FSUSYTPZTWDBDP-CYBMUJFWSA-N 0 3 243.354 3.186 20 0 BGADHN Cc1n[nH]c(CN[C@H](C)c2ccc(C)cc2)c1C ZINC000716440246 712560885 /nfs/dbraw/zinc/56/08/85/712560885.db2.gz MVMGPHUCNWGDOP-CYBMUJFWSA-N 0 3 243.354 3.186 20 0 BGADHN Cc1n[nH]c(CN[C@@H](C)c2ccc(C)cc2)c1C ZINC000716440249 712560902 /nfs/dbraw/zinc/56/09/02/712560902.db2.gz MVMGPHUCNWGDOP-ZDUSSCGKSA-N 0 3 243.354 3.186 20 0 BGADHN Cc1ccc([C@@H](C)NCc2[nH]nc(C)c2C)s1 ZINC000716462300 712562789 /nfs/dbraw/zinc/56/27/89/712562789.db2.gz GHXXNBYWAXVLQB-LLVKDONJSA-N 0 3 249.383 3.247 20 0 BGADHN Cc1ccc([C@H](C)NCc2[nH]nc(C)c2C)s1 ZINC000716462327 712563006 /nfs/dbraw/zinc/56/30/06/712563006.db2.gz GHXXNBYWAXVLQB-NSHDSACASA-N 0 3 249.383 3.247 20 0 BGADHN C[C@H](NC[C@@H]1C[C@@H]1[C@H]1C[C@H]1C)c1cscn1 ZINC000716564398 712563752 /nfs/dbraw/zinc/56/37/52/712563752.db2.gz NVKWUIIGDNVDBH-DGORSVRFSA-N 0 3 236.384 3.086 20 0 BGADHN C[C@H](NC[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C)c1cscn1 ZINC000716564403 712563659 /nfs/dbraw/zinc/56/36/59/712563659.db2.gz NVKWUIIGDNVDBH-HTFCKZLJSA-N 0 3 236.384 3.086 20 0 BGADHN C[C@H](NC[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C)c1cscn1 ZINC000716564406 712563684 /nfs/dbraw/zinc/56/36/84/712563684.db2.gz NVKWUIIGDNVDBH-IIRVCBMXSA-N 0 3 236.384 3.086 20 0 BGADHN C[C@H](NC[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C)c1cscn1 ZINC000716564409 712563924 /nfs/dbraw/zinc/56/39/24/712563924.db2.gz NVKWUIIGDNVDBH-NGDQXYMTSA-N 0 3 236.384 3.086 20 0 BGADHN C[C@H](NC[C@@H]1C[C@@H]1[C@H]1C[C@H]1C)c1nccs1 ZINC000716565329 712563700 /nfs/dbraw/zinc/56/37/00/712563700.db2.gz PZUFJBLXDPPTGB-DGORSVRFSA-N 0 3 236.384 3.086 20 0 BGADHN C[C@H](NC[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C)c1nccs1 ZINC000716565336 712563904 /nfs/dbraw/zinc/56/39/04/712563904.db2.gz PZUFJBLXDPPTGB-HTFCKZLJSA-N 0 3 236.384 3.086 20 0 BGADHN C[C@H](NC[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C)c1nccs1 ZINC000716565344 712563597 /nfs/dbraw/zinc/56/35/97/712563597.db2.gz PZUFJBLXDPPTGB-IIRVCBMXSA-N 0 3 236.384 3.086 20 0 BGADHN C[C@H](NC[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C)c1nccs1 ZINC000716565351 712563812 /nfs/dbraw/zinc/56/38/12/712563812.db2.gz PZUFJBLXDPPTGB-NGDQXYMTSA-N 0 3 236.384 3.086 20 0 BGADHN C[C@H](NC[C@H]1CCC2(CCC2)CO1)c1ccoc1 ZINC000716593651 712564509 /nfs/dbraw/zinc/56/45/09/712564509.db2.gz HOWRZIMJAUVKPH-GXTWGEPZSA-N 0 3 249.354 3.280 20 0 BGADHN C[C@H](NC[C@@H]1CCC2(CCC2)CO1)c1ccoc1 ZINC000716593654 712564469 /nfs/dbraw/zinc/56/44/69/712564469.db2.gz HOWRZIMJAUVKPH-JSGCOSHPSA-N 0 3 249.354 3.280 20 0 BGADHN C[C@@H](NC[C@@H]1CCC2(CCC2)CO1)c1ccoc1 ZINC000716593656 712564480 /nfs/dbraw/zinc/56/44/80/712564480.db2.gz HOWRZIMJAUVKPH-OCCSQVGLSA-N 0 3 249.354 3.280 20 0 BGADHN C[C@@H](NC[C@H]1CCC2(CCC2)CO1)c1ccoc1 ZINC000716593658 712564487 /nfs/dbraw/zinc/56/44/87/712564487.db2.gz HOWRZIMJAUVKPH-TZMCWYRMSA-N 0 3 249.354 3.280 20 0 BGADHN Cc1occc1CNC[C@@H]1CCC2(CCC2)CO1 ZINC000716596928 712564454 /nfs/dbraw/zinc/56/44/54/712564454.db2.gz KMYNFSAMCDWDMT-AWEZNQCLSA-N 0 3 249.354 3.027 20 0 BGADHN Cc1occc1CNC[C@H]1CCC2(CCC2)CO1 ZINC000716596929 712564667 /nfs/dbraw/zinc/56/46/67/712564667.db2.gz KMYNFSAMCDWDMT-CQSZACIVSA-N 0 3 249.354 3.027 20 0 BGADHN CC[C@H](C[C@@H](C)O)NCc1ccsc1Cl ZINC000716858933 712574726 /nfs/dbraw/zinc/57/47/26/712574726.db2.gz AFEVROYTLSMTHK-PSASIEDQSA-N 0 3 247.791 3.041 20 0 BGADHN CC[C@@H](C[C@@H](C)O)NCc1ccsc1Cl ZINC000716858934 712574677 /nfs/dbraw/zinc/57/46/77/712574677.db2.gz AFEVROYTLSMTHK-SCZZXKLOSA-N 0 3 247.791 3.041 20 0 BGADHN CC[C@H](C[C@H](C)O)NCc1ccsc1Cl ZINC000716858935 712574519 /nfs/dbraw/zinc/57/45/19/712574519.db2.gz AFEVROYTLSMTHK-WCBMZHEXSA-N 0 3 247.791 3.041 20 0 BGADHN CC[C@@H](C[C@H](C)O)NCc1ccsc1Cl ZINC000716858936 712574545 /nfs/dbraw/zinc/57/45/45/712574545.db2.gz AFEVROYTLSMTHK-WPRPVWTQSA-N 0 3 247.791 3.041 20 0 BGADHN C[C@H]1CCC(C)(C)C[C@H]1NCc1cscn1 ZINC000717513554 712660206 /nfs/dbraw/zinc/66/02/06/712660206.db2.gz HLHTYWWCZQTQMS-CMPLNLGQSA-N 0 3 238.400 3.448 20 0 BGADHN C[C@H]1CCC(C)(C)C[C@@H]1NCc1cscn1 ZINC000717513556 712660296 /nfs/dbraw/zinc/66/02/96/712660296.db2.gz HLHTYWWCZQTQMS-JQWIXIFHSA-N 0 3 238.400 3.448 20 0 BGADHN C[C@@H]1CCC(C)(C)C[C@@H]1NCc1cscn1 ZINC000717513557 712660213 /nfs/dbraw/zinc/66/02/13/712660213.db2.gz HLHTYWWCZQTQMS-PWSUYJOCSA-N 0 3 238.400 3.448 20 0 BGADHN C[C@@H]1CCC(C)(C)C[C@H]1NCc1cscn1 ZINC000717513559 712660204 /nfs/dbraw/zinc/66/02/04/712660204.db2.gz HLHTYWWCZQTQMS-ZYHUDNBSSA-N 0 3 238.400 3.448 20 0 BGADHN CCc1cnc(CNC2(C3CC3)CCC2)s1 ZINC000717826986 712682211 /nfs/dbraw/zinc/68/22/11/712682211.db2.gz CRIXBUYEIUAJEG-UHFFFAOYSA-N 0 3 236.384 3.128 20 0 BGADHN Clc1cccnc1CNC1(C2CC2)CCC1 ZINC000717835466 712686438 /nfs/dbraw/zinc/68/64/38/712686438.db2.gz KPOCLZYFZVPBRA-UHFFFAOYSA-N 0 3 236.746 3.157 20 0 BGADHN Clc1ncsc1CNC1(C2CC2)CCC1 ZINC000717838264 712686697 /nfs/dbraw/zinc/68/66/97/712686697.db2.gz XFBPRPRPARJVQD-UHFFFAOYSA-N 0 3 242.775 3.219 20 0 BGADHN Cl/C=C(/Cl)CNC1(C2CC2)CCC1 ZINC000717863322 712639175 /nfs/dbraw/zinc/63/91/75/712639175.db2.gz MPMUOMSJISYUAI-RMKNXTFCSA-N 0 3 220.143 3.228 20 0 BGADHN Cl/C=C(\Cl)CNC1(C2CC2)CCC1 ZINC000717863323 712639110 /nfs/dbraw/zinc/63/91/10/712639110.db2.gz MPMUOMSJISYUAI-TWGQIWQCSA-N 0 3 220.143 3.228 20 0 BGADHN [O-]c1ccc(C[NH2+]C2(C3CCC3)CCC2)cc1F ZINC000717886075 712731564 /nfs/dbraw/zinc/73/15/64/712731564.db2.gz WDLVFIPHOXEEFM-UHFFFAOYSA-N 0 3 249.329 3.344 20 0 BGADHN c1cn(C2CC2)c(CNC2(C3CCC3)CCC2)n1 ZINC000717903280 712732540 /nfs/dbraw/zinc/73/25/40/712732540.db2.gz GQGIEHSAHMTVML-UHFFFAOYSA-N 0 3 245.370 3.030 20 0 BGADHN CCc1nc(CNC2(C3CC3)CCC2)cs1 ZINC000717904004 712732898 /nfs/dbraw/zinc/73/28/98/712732898.db2.gz LDVAGWLMMXGJHJ-UHFFFAOYSA-N 0 3 236.384 3.128 20 0 BGADHN Cc1coc(CNC[C@H]2CCC3(CCC3)CO2)c1 ZINC000718028466 712736611 /nfs/dbraw/zinc/73/66/11/712736611.db2.gz APOAXSZRVRCNSC-CYBMUJFWSA-N 0 3 249.354 3.027 20 0 BGADHN Cc1coc(CNC[C@@H]2CCC3(CCC3)CO2)c1 ZINC000718028470 712736628 /nfs/dbraw/zinc/73/66/28/712736628.db2.gz APOAXSZRVRCNSC-ZDUSSCGKSA-N 0 3 249.354 3.027 20 0 BGADHN CCOC1(CNCc2cc(C)co2)CCCC1 ZINC000718030279 711639884 /nfs/dbraw/zinc/63/98/84/711639884.db2.gz MDKJRGYMYZFPMJ-UHFFFAOYSA-N 0 3 237.343 3.027 20 0 BGADHN Cc1coc(CNC[C@H]2CCC3(CCCC3)O2)c1 ZINC000718045442 712738745 /nfs/dbraw/zinc/73/87/45/712738745.db2.gz SMTMGXRWPPQQEZ-CYBMUJFWSA-N 0 3 249.354 3.169 20 0 BGADHN Cc1coc(CNC[C@@H]2CCC3(CCCC3)O2)c1 ZINC000718045443 712738457 /nfs/dbraw/zinc/73/84/57/712738457.db2.gz SMTMGXRWPPQQEZ-ZDUSSCGKSA-N 0 3 249.354 3.169 20 0 BGADHN Cc1coc(CNC[C@@H]2CCCC2(F)F)c1 ZINC000718046050 712738697 /nfs/dbraw/zinc/73/86/97/712738697.db2.gz VITHGWUVFDPCMM-JTQLQIEISA-N 0 3 229.270 3.113 20 0 BGADHN Cc1coc(CNC[C@H]2CCCC2(F)F)c1 ZINC000718046074 711641477 /nfs/dbraw/zinc/64/14/77/711641477.db2.gz VITHGWUVFDPCMM-SNVBAGLBSA-N 0 3 229.270 3.113 20 0 BGADHN Cc1coc(CNC[C@@H](C)Oc2ccccc2)c1 ZINC000718057850 712740217 /nfs/dbraw/zinc/74/02/17/712740217.db2.gz KVTHVDRODLEENH-CYBMUJFWSA-N 0 3 245.322 3.145 20 0 BGADHN Cc1coc(CNC[C@H](C)Oc2ccccc2)c1 ZINC000718057909 712740031 /nfs/dbraw/zinc/74/00/31/712740031.db2.gz KVTHVDRODLEENH-ZDUSSCGKSA-N 0 3 245.322 3.145 20 0 BGADHN Clc1cnc(CNC2CCC=CCC2)s1 ZINC000718066569 712740766 /nfs/dbraw/zinc/74/07/66/712740766.db2.gz CVUILJYIHYYDEL-UHFFFAOYSA-N 0 3 242.775 3.385 20 0 BGADHN Cc1nc(CNC2CCC=CCC2)cs1 ZINC000718067786 712740684 /nfs/dbraw/zinc/74/06/84/712740684.db2.gz LYHYBHUHYZIATD-UHFFFAOYSA-N 0 3 222.357 3.040 20 0 BGADHN Cc1coc(CN[C@@H]2CC23CCCC3)c1 ZINC000718068423 712740630 /nfs/dbraw/zinc/74/06/30/712740630.db2.gz UWCIKAYDJBZDQS-GFCCVEGCSA-N 0 3 205.301 3.010 20 0 BGADHN Cc1coc(CN[C@H]2CC23CCCC3)c1 ZINC000718068425 712740774 /nfs/dbraw/zinc/74/07/74/712740774.db2.gz UWCIKAYDJBZDQS-LBPRGKRZSA-N 0 3 205.301 3.010 20 0 BGADHN C[C@H](NC1CCC=CCC1)c1cscn1 ZINC000718068805 712740510 /nfs/dbraw/zinc/74/05/10/712740510.db2.gz RVXZTXNZMPWZNG-JTQLQIEISA-N 0 3 222.357 3.293 20 0 BGADHN C[C@@H](NC1CCC=CCC1)c1cscn1 ZINC000718068807 712740915 /nfs/dbraw/zinc/74/09/15/712740915.db2.gz RVXZTXNZMPWZNG-SNVBAGLBSA-N 0 3 222.357 3.293 20 0 BGADHN Cc1coc(CN[C@H]2CCCC(F)(F)C2)c1 ZINC000718071363 712740750 /nfs/dbraw/zinc/74/07/50/712740750.db2.gz UXLNBDNKIBRFNK-JTQLQIEISA-N 0 3 229.270 3.256 20 0 BGADHN Cc1coc(CN[C@@H]2CCCC(F)(F)C2)c1 ZINC000718071367 712740623 /nfs/dbraw/zinc/74/06/23/712740623.db2.gz UXLNBDNKIBRFNK-SNVBAGLBSA-N 0 3 229.270 3.256 20 0 BGADHN CCc1nc(CNC2CCC=CCC2)cs1 ZINC000718093476 712742340 /nfs/dbraw/zinc/74/23/40/712742340.db2.gz LWLBWJJIKNQSIK-UHFFFAOYSA-N 0 3 236.384 3.294 20 0 BGADHN [O-]c1ccc(C[NH2+]C2CCC=CCC2)cc1F ZINC000718125331 712745815 /nfs/dbraw/zinc/74/58/15/712745815.db2.gz VZIXYWWWFCLAOQ-UHFFFAOYSA-N 0 3 235.302 3.120 20 0 BGADHN Cc1coc(CNCCc2ccccc2F)c1 ZINC000718129023 712746667 /nfs/dbraw/zinc/74/66/67/712746667.db2.gz CBYKELUOJJXOQK-UHFFFAOYSA-N 0 3 233.286 3.059 20 0 BGADHN Cc1coc(CNC2(C3(C)CC3)CC2)c1 ZINC000718131674 712747225 /nfs/dbraw/zinc/74/72/25/712747225.db2.gz NEUSNEXNGBKBPU-UHFFFAOYSA-N 0 3 205.301 3.010 20 0 BGADHN Cc1coc(CNCCSC(C)(C)C)c1 ZINC000718134038 712747621 /nfs/dbraw/zinc/74/76/21/712747621.db2.gz VYOCQCNJTHOFMY-UHFFFAOYSA-N 0 3 227.373 3.209 20 0 BGADHN Cc1coc(CNCCSCC(C)C)c1 ZINC000718136730 712747589 /nfs/dbraw/zinc/74/75/89/712747589.db2.gz XBMAQPFTYDQZLZ-UHFFFAOYSA-N 0 3 227.373 3.067 20 0 BGADHN CC(C)C1CC(NCc2cnc(Cl)s2)C1 ZINC000718176713 712751493 /nfs/dbraw/zinc/75/14/93/712751493.db2.gz QXDNUBQWOIEHAG-UHFFFAOYSA-N 0 3 244.791 3.321 20 0 BGADHN CC(F)(F)CCCNC(C)(C)c1nccs1 ZINC000718360783 712756432 /nfs/dbraw/zinc/75/64/32/712756432.db2.gz UHOWVDCVUJGRTB-UHFFFAOYSA-N 0 3 248.342 3.403 20 0 BGADHN CC(C)CC1(NCc2cnc(Cl)s2)CC1 ZINC000718857912 712785516 /nfs/dbraw/zinc/78/55/16/712785516.db2.gz NFRXBZFMBWWICO-UHFFFAOYSA-N 0 3 244.791 3.465 20 0 BGADHN CC[C@H](NCc1ncc(Cl)s1)[C@H]1C[C@@H]1C ZINC000719396409 712806624 /nfs/dbraw/zinc/80/66/24/712806624.db2.gz UTYRTTFFHIYQNV-CIUDSAMLSA-N 0 3 244.791 3.321 20 0 BGADHN CC[C@H](NCc1ncc(Cl)s1)[C@@H]1C[C@H]1C ZINC000719396413 712806988 /nfs/dbraw/zinc/80/69/88/712806988.db2.gz UTYRTTFFHIYQNV-HLTSFMKQSA-N 0 3 244.791 3.321 20 0 BGADHN CC[C@H](NCc1ncc(Cl)s1)[C@H]1C[C@H]1C ZINC000719396419 712807079 /nfs/dbraw/zinc/80/70/79/712807079.db2.gz UTYRTTFFHIYQNV-VGMNWLOBSA-N 0 3 244.791 3.321 20 0 BGADHN CC[C@H](NCc1ncc(Cl)s1)[C@@H]1C[C@@H]1C ZINC000719396423 712807108 /nfs/dbraw/zinc/80/71/08/712807108.db2.gz UTYRTTFFHIYQNV-YIZRAAEISA-N 0 3 244.791 3.321 20 0 BGADHN CCC[C@@H](C)CNCc1ncc(Cl)s1 ZINC000719396440 712806580 /nfs/dbraw/zinc/80/65/80/712806580.db2.gz UXHNZLSEGNIXTM-MRVPVSSYSA-N 0 3 232.780 3.322 20 0 BGADHN CCC[C@H](C)CNCc1ncc(Cl)s1 ZINC000719396444 712806982 /nfs/dbraw/zinc/80/69/82/712806982.db2.gz UXHNZLSEGNIXTM-QMMMGPOBSA-N 0 3 232.780 3.322 20 0 BGADHN CCNCc1cccc(Cl)c1Br ZINC000719434628 712807662 /nfs/dbraw/zinc/80/76/62/712807662.db2.gz RWDLUWZQJMJSTM-UHFFFAOYSA-N 0 3 248.551 3.212 20 0 BGADHN Cc1nc(CNc2cc(C)cc(C)n2)sc1C ZINC000719527944 712808825 /nfs/dbraw/zinc/80/88/25/712808825.db2.gz HMILWFSIMUUIGE-UHFFFAOYSA-N 0 3 247.367 3.384 20 0 BGADHN CCCC[C@H](C)NCc1nc2c(s1)CCC2 ZINC000719564076 712810412 /nfs/dbraw/zinc/81/04/12/712810412.db2.gz ZLCWJHPVBZPDHX-JTQLQIEISA-N 0 3 238.400 3.300 20 0 BGADHN CCCC[C@@H](C)NCc1nc2c(s1)CCC2 ZINC000719564078 712810089 /nfs/dbraw/zinc/81/00/89/712810089.db2.gz ZLCWJHPVBZPDHX-SNVBAGLBSA-N 0 3 238.400 3.300 20 0 BGADHN C=C/C=C\CCNCc1nc2c(s1)CCCC2 ZINC000719574166 712811776 /nfs/dbraw/zinc/81/17/76/712811776.db2.gz GCCQCMNWQZXAMO-ARJAWSKDSA-N 0 3 248.395 3.244 20 0 BGADHN C=C/C=C/CCNCc1nc2c(s1)CCCC2 ZINC000719574170 712811842 /nfs/dbraw/zinc/81/18/42/712811842.db2.gz GCCQCMNWQZXAMO-ONEGZZNKSA-N 0 3 248.395 3.244 20 0 BGADHN COC(C)(C)[C@@H](C)NCc1sccc1Cl ZINC000720292459 712830468 /nfs/dbraw/zinc/83/04/68/712830468.db2.gz ZLGRRHSCAGSTTG-MRVPVSSYSA-N 0 3 247.791 3.305 20 0 BGADHN COC(C)(C)[C@H](C)NCc1sccc1Cl ZINC000720292461 712830414 /nfs/dbraw/zinc/83/04/14/712830414.db2.gz ZLGRRHSCAGSTTG-QMMMGPOBSA-N 0 3 247.791 3.305 20 0 BGADHN CC[C@@H](NCc1nocc1C)C1CCCCC1 ZINC000720343678 712831932 /nfs/dbraw/zinc/83/19/32/712831932.db2.gz AAHSTZWAGMXLCT-CYBMUJFWSA-N 0 3 236.359 3.432 20 0 BGADHN CC[C@H](NCc1nocc1C)C1CCCCC1 ZINC000720343685 712831966 /nfs/dbraw/zinc/83/19/66/712831966.db2.gz AAHSTZWAGMXLCT-ZDUSSCGKSA-N 0 3 236.359 3.432 20 0 BGADHN Cc1conc1CN[C@@H]1CCCC[C@@H]1C(C)C ZINC000720344322 712831935 /nfs/dbraw/zinc/83/19/35/712831935.db2.gz FDASRTOYANRJON-CHWSQXEVSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1conc1CN[C@H]1CCCC[C@@H]1C(C)C ZINC000720344324 712831953 /nfs/dbraw/zinc/83/19/53/712831953.db2.gz FDASRTOYANRJON-OLZOCXBDSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1conc1CN[C@@H]1CCCC[C@H]1C(C)C ZINC000720344327 712831900 /nfs/dbraw/zinc/83/19/00/712831900.db2.gz FDASRTOYANRJON-QWHCGFSZSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1conc1CN[C@H]1CCCC[C@H]1C(C)C ZINC000720344328 712831896 /nfs/dbraw/zinc/83/18/96/712831896.db2.gz FDASRTOYANRJON-STQMWFEESA-N 0 3 236.359 3.287 20 0 BGADHN CCC(CC)(CC)NCc1nocc1C ZINC000720351663 712832726 /nfs/dbraw/zinc/83/27/26/712832726.db2.gz NBKZSMTVQDCMMG-UHFFFAOYSA-N 0 3 210.321 3.041 20 0 BGADHN Cc1cc(CNCC2CCC3(CC3)CC2)no1 ZINC000720351972 712833028 /nfs/dbraw/zinc/83/30/28/712833028.db2.gz NBXQRAQUXSLROQ-UHFFFAOYSA-N 0 3 234.343 3.043 20 0 BGADHN CCC[C@@H](NCc1nocc1C)C1CCC1 ZINC000720353217 712833088 /nfs/dbraw/zinc/83/30/88/712833088.db2.gz SKOHSMMIZGATPS-GFCCVEGCSA-N 0 3 222.332 3.041 20 0 BGADHN CCC[C@H](NCc1nocc1C)C1CCC1 ZINC000720353220 712833058 /nfs/dbraw/zinc/83/30/58/712833058.db2.gz SKOHSMMIZGATPS-LBPRGKRZSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1cc(CNCC2C[C@H](C)C[C@@H](C)C2)no1 ZINC000720355560 712833641 /nfs/dbraw/zinc/83/36/41/712833641.db2.gz JLXMAACSJLKAIK-GHMZBOCLSA-N 0 3 236.359 3.145 20 0 BGADHN Cc1cc(CNC[C@H]2C[C@H](C)C[C@H](C)C2)no1 ZINC000720355561 712833697 /nfs/dbraw/zinc/83/36/97/712833697.db2.gz JLXMAACSJLKAIK-PJXYFTJBSA-N 0 3 236.359 3.145 20 0 BGADHN Cc1cc(CNCC2C[C@@H](C)C[C@H](C)C2)no1 ZINC000720355563 712833610 /nfs/dbraw/zinc/83/36/10/712833610.db2.gz JLXMAACSJLKAIK-QWRGUYRKSA-N 0 3 236.359 3.145 20 0 BGADHN Cc1conc1CN[C@H](C)[C@]12C[C@H]1CCCC2 ZINC000720363279 712835664 /nfs/dbraw/zinc/83/56/64/712835664.db2.gz UGMNPFDWZZBEPC-BZPMIXESSA-N 0 3 234.343 3.041 20 0 BGADHN Cc1conc1CN[C@H](C)[C@@]12C[C@@H]1CCCC2 ZINC000720363284 712835449 /nfs/dbraw/zinc/83/54/49/712835449.db2.gz UGMNPFDWZZBEPC-MBNYWOFBSA-N 0 3 234.343 3.041 20 0 BGADHN Cc1conc1CN[C@@]1(C)CCCC[C@@H]1C ZINC000720370371 712836190 /nfs/dbraw/zinc/83/61/90/712836190.db2.gz YBXMSIJTKSRKQO-AAEUAGOBSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1conc1CN[C@]1(C)CCCC[C@H]1C ZINC000720370373 712836321 /nfs/dbraw/zinc/83/63/21/712836321.db2.gz YBXMSIJTKSRKQO-DGCLKSJQSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1conc1CN[C@]1(C)CCCC[C@@H]1C ZINC000720370375 712836232 /nfs/dbraw/zinc/83/62/32/712836232.db2.gz YBXMSIJTKSRKQO-WCQYABFASA-N 0 3 222.332 3.041 20 0 BGADHN Cc1conc1CN[C@@]1(C)CCCC[C@H]1C ZINC000720370377 712836240 /nfs/dbraw/zinc/83/62/40/712836240.db2.gz YBXMSIJTKSRKQO-YPMHNXCESA-N 0 3 222.332 3.041 20 0 BGADHN CN(Cc1cccnc1Cl)C1(C)CCCC1 ZINC000720379464 712836957 /nfs/dbraw/zinc/83/69/57/712836957.db2.gz LCOUASSMNOEGCN-UHFFFAOYSA-N 0 3 238.762 3.500 20 0 BGADHN Cc1conc1CN[C@@H]1CCCCC1(C)C ZINC000720410276 712840618 /nfs/dbraw/zinc/84/06/18/712840618.db2.gz PNSVWGUFHHOVOA-GFCCVEGCSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1conc1CN[C@H]1CCCCC1(C)C ZINC000720410285 711683987 /nfs/dbraw/zinc/68/39/87/711683987.db2.gz PNSVWGUFHHOVOA-LBPRGKRZSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1conc1CN[C@H](C)C1CCCCC1 ZINC000720420403 712841313 /nfs/dbraw/zinc/84/13/13/712841313.db2.gz NLUSPZONOITPDR-LLVKDONJSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1conc1CN[C@@H](C)C1CCCCC1 ZINC000720420404 712841209 /nfs/dbraw/zinc/84/12/09/712841209.db2.gz NLUSPZONOITPDR-NSHDSACASA-N 0 3 222.332 3.041 20 0 BGADHN Cc1conc1CNC(C)(C)CC(C)(C)C ZINC000720420677 712841218 /nfs/dbraw/zinc/84/12/18/712841218.db2.gz ANOBITIJSCGNDV-UHFFFAOYSA-N 0 3 224.348 3.287 20 0 BGADHN Cc1cc(CN[C@H]2CC(C)(C)CC[C@@H]2C)no1 ZINC000720421031 712841537 /nfs/dbraw/zinc/84/15/37/712841537.db2.gz XPAMZFIWJNBEII-GWCFXTLKSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1cc(CN[C@@H]2CC(C)(C)CC[C@@H]2C)no1 ZINC000720421032 712841531 /nfs/dbraw/zinc/84/15/31/712841531.db2.gz XPAMZFIWJNBEII-GXFFZTMASA-N 0 3 236.359 3.287 20 0 BGADHN Cc1cc(CN[C@H]2CC(C)(C)CC[C@H]2C)no1 ZINC000720421033 712841584 /nfs/dbraw/zinc/84/15/84/712841584.db2.gz XPAMZFIWJNBEII-MFKMUULPSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1cc(CN[C@@H]2CC(C)(C)CC[C@H]2C)no1 ZINC000720421034 712841563 /nfs/dbraw/zinc/84/15/63/712841563.db2.gz XPAMZFIWJNBEII-ZWNOBZJWSA-N 0 3 236.359 3.287 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1NCc1nocc1C ZINC000720421937 712841844 /nfs/dbraw/zinc/84/18/44/712841844.db2.gz VBBATAPZOZCRRJ-NEPJUHHUSA-N 0 3 222.332 3.041 20 0 BGADHN CC[C@H]1CCCC[C@H]1NCc1nocc1C ZINC000720421938 712841693 /nfs/dbraw/zinc/84/16/93/712841693.db2.gz VBBATAPZOZCRRJ-NWDGAFQWSA-N 0 3 222.332 3.041 20 0 BGADHN CC[C@H]1CCCC[C@@H]1NCc1nocc1C ZINC000720421939 712841719 /nfs/dbraw/zinc/84/17/19/712841719.db2.gz VBBATAPZOZCRRJ-RYUDHWBXSA-N 0 3 222.332 3.041 20 0 BGADHN CC[C@@H]1CCCC[C@H]1NCc1nocc1C ZINC000720421940 712841740 /nfs/dbraw/zinc/84/17/40/712841740.db2.gz VBBATAPZOZCRRJ-VXGBXAGGSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1ccc([C@H](C)NC[C@@H]2C[C@@H]3CCC[C@@H]3O2)o1 ZINC000720866906 712872091 /nfs/dbraw/zinc/87/20/91/712872091.db2.gz UGFDNPQMFBEQCZ-ABHRYQDASA-N 0 3 249.354 3.196 20 0 BGADHN Cc1ccc([C@H](C)NC[C@@H]2C[C@@H]3CCC[C@H]3O2)o1 ZINC000720866908 712871973 /nfs/dbraw/zinc/87/19/73/712871973.db2.gz UGFDNPQMFBEQCZ-PWNZVWSESA-N 0 3 249.354 3.196 20 0 BGADHN Cc1ccc([C@H](C)NC[C@@H]2C[C@H]3CCC[C@H]3O2)o1 ZINC000720866909 712872024 /nfs/dbraw/zinc/87/20/24/712872024.db2.gz UGFDNPQMFBEQCZ-SFDCQRBFSA-N 0 3 249.354 3.196 20 0 BGADHN Cc1ccc([C@H](C)NC[C@@H]2C[C@H]3CCC[C@@H]3O2)o1 ZINC000720866911 712871958 /nfs/dbraw/zinc/87/19/58/712871958.db2.gz UGFDNPQMFBEQCZ-XFMPKHEZSA-N 0 3 249.354 3.196 20 0 BGADHN C[C@@H](NCC1(C)CC(F)(F)C1)c1cscn1 ZINC000720923296 712878989 /nfs/dbraw/zinc/87/89/89/712878989.db2.gz OPOYFLLVEDWMRH-MRVPVSSYSA-N 0 3 246.326 3.229 20 0 BGADHN C[C@H](NCC1(C)CC(F)(F)C1)c1cscn1 ZINC000720923298 712878838 /nfs/dbraw/zinc/87/88/38/712878838.db2.gz OPOYFLLVEDWMRH-QMMMGPOBSA-N 0 3 246.326 3.229 20 0 BGADHN C[C@@H](NCC1(C)CC(F)(F)C1)c1nccs1 ZINC000720923388 712879050 /nfs/dbraw/zinc/87/90/50/712879050.db2.gz QGLWTMIAULTTPP-MRVPVSSYSA-N 0 3 246.326 3.229 20 0 BGADHN C[C@H](NCC1(C)CC(F)(F)C1)c1nccs1 ZINC000720923390 712878985 /nfs/dbraw/zinc/87/89/85/712878985.db2.gz QGLWTMIAULTTPP-QMMMGPOBSA-N 0 3 246.326 3.229 20 0 BGADHN CC1(NCc2ccsc2)CC(F)(F)C1 ZINC000720923857 712879228 /nfs/dbraw/zinc/87/92/28/712879228.db2.gz RYBKBAXKPGOAGY-UHFFFAOYSA-N 0 3 217.284 3.026 20 0 BGADHN CC1(NCc2ccc(F)c(F)c2)CC(F)(F)C1 ZINC000720923952 712878981 /nfs/dbraw/zinc/87/89/81/712878981.db2.gz WFLBARPKPFPCDW-UHFFFAOYSA-N 0 3 247.235 3.242 20 0 BGADHN CC1(NCc2cc(F)cc(F)c2)CC(F)(F)C1 ZINC000720924374 712879020 /nfs/dbraw/zinc/87/90/20/712879020.db2.gz ZFIQBANFLQCYCJ-UHFFFAOYSA-N 0 3 247.235 3.242 20 0 BGADHN Cc1cc(CNC2(C)CC(F)(F)C2)cs1 ZINC000720936799 712880506 /nfs/dbraw/zinc/88/05/06/712880506.db2.gz JYYHGXRROAVYNG-UHFFFAOYSA-N 0 3 231.311 3.334 20 0 BGADHN Cc1sccc1CNC1(C)CC(F)(F)C1 ZINC000720936930 712880578 /nfs/dbraw/zinc/88/05/78/712880578.db2.gz LKXWTKTVJYCXNK-UHFFFAOYSA-N 0 3 231.311 3.334 20 0 BGADHN CC1(NCc2cccc(F)c2)CC(F)(F)C1 ZINC000720949299 712881375 /nfs/dbraw/zinc/88/13/75/712881375.db2.gz LQVQAVKVCGROMW-UHFFFAOYSA-N 0 3 229.245 3.103 20 0 BGADHN CC1(NCc2ccc(F)cc2)CC(F)(F)C1 ZINC000720949313 712881644 /nfs/dbraw/zinc/88/16/44/712881644.db2.gz MFMNAODMVZIJNN-UHFFFAOYSA-N 0 3 229.245 3.103 20 0 BGADHN Cc1nc(C)c(CNC2(C)CC(F)(F)C2)s1 ZINC000720965786 711687440 /nfs/dbraw/zinc/68/74/40/711687440.db2.gz SGJJWLTWWZHWHS-UHFFFAOYSA-N 0 3 246.326 3.037 20 0 BGADHN Cc1cc(CNC2(C)CC(F)(F)C2)ccc1F ZINC000720972725 712884153 /nfs/dbraw/zinc/88/41/53/712884153.db2.gz SLYCFVRSQUYQCM-UHFFFAOYSA-N 0 3 243.272 3.412 20 0 BGADHN Cc1ccc(F)cc1CNC1(C)CC(F)(F)C1 ZINC000720973071 712884316 /nfs/dbraw/zinc/88/43/16/712884316.db2.gz WXNZDTJEURZAIK-UHFFFAOYSA-N 0 3 243.272 3.412 20 0 BGADHN Cc1ccc(CNC2(C)CC(F)(F)C2)cc1F ZINC000720973110 712884394 /nfs/dbraw/zinc/88/43/94/712884394.db2.gz XSZLFLOIAOCBOJ-UHFFFAOYSA-N 0 3 243.272 3.412 20 0 BGADHN CC[C@@H](CC1CCCCC1)NCc1ncccn1 ZINC000720986450 712885690 /nfs/dbraw/zinc/88/56/90/712885690.db2.gz PLYWWUHMUCWLCJ-AWEZNQCLSA-N 0 3 247.386 3.315 20 0 BGADHN CC[C@H](CC1CCCCC1)NCc1ncccn1 ZINC000720986453 712885817 /nfs/dbraw/zinc/88/58/17/712885817.db2.gz PLYWWUHMUCWLCJ-CQSZACIVSA-N 0 3 247.386 3.315 20 0 BGADHN CC[C@@H]1C[C@H]1CNC(C)(C)c1nccs1 ZINC000723073338 710725017 /nfs/dbraw/zinc/72/50/17/710725017.db2.gz KLLTWJDBSSYQNT-ZJUUUORDSA-N 0 3 224.373 3.014 20 0 BGADHN Cc1csc([C@@H](C)NCCC2CC=CC2)n1 ZINC000724199122 711569109 /nfs/dbraw/zinc/56/91/09/711569109.db2.gz FCULYTSKPRMWGG-LLVKDONJSA-N 0 3 236.384 3.458 20 0 BGADHN Cc1csc([C@H](C)NCCC2CC=CC2)n1 ZINC000724199131 711569062 /nfs/dbraw/zinc/56/90/62/711569062.db2.gz FCULYTSKPRMWGG-NSHDSACASA-N 0 3 236.384 3.458 20 0 BGADHN Cc1nc(CNCCC2CC=CC2)sc1C ZINC000724201430 711568953 /nfs/dbraw/zinc/56/89/53/711568953.db2.gz HKOMHODUCUQMBX-UHFFFAOYSA-N 0 3 236.384 3.206 20 0 BGADHN CCc1cnc(CNCCC2CC=CC2)s1 ZINC000724203345 711569569 /nfs/dbraw/zinc/56/95/69/711569569.db2.gz RSJKCDGLWPTKIZ-UHFFFAOYSA-N 0 3 236.384 3.151 20 0 BGADHN Cc1nc([C@H](C)NCCC2CC=CC2)cs1 ZINC000724203501 711569976 /nfs/dbraw/zinc/56/99/76/711569976.db2.gz SKXAQHOZIHVKRB-JTQLQIEISA-N 0 3 236.384 3.458 20 0 BGADHN Cc1nc([C@@H](C)NCCC2CC=CC2)cs1 ZINC000724203502 711569691 /nfs/dbraw/zinc/56/96/91/711569691.db2.gz SKXAQHOZIHVKRB-SNVBAGLBSA-N 0 3 236.384 3.458 20 0 BGADHN CCc1nc(CNCCC2CC=CC2)cs1 ZINC000724204234 711569942 /nfs/dbraw/zinc/56/99/42/711569942.db2.gz ZOWLSWVWXLDGTN-UHFFFAOYSA-N 0 3 236.384 3.151 20 0 BGADHN C[C@H](NCCC1CC=CC1)c1cscn1 ZINC000724206267 711570102 /nfs/dbraw/zinc/57/01/02/711570102.db2.gz GCXDPKRGZQQGEF-JTQLQIEISA-N 0 3 222.357 3.150 20 0 BGADHN C[C@@H](NCCC1CC=CC1)c1cscn1 ZINC000724206269 711570243 /nfs/dbraw/zinc/57/02/43/711570243.db2.gz GCXDPKRGZQQGEF-SNVBAGLBSA-N 0 3 222.357 3.150 20 0 BGADHN C[C@H](NCCC1CC=CC1)c1nccs1 ZINC000724209899 711570113 /nfs/dbraw/zinc/57/01/13/711570113.db2.gz XQGXOFCRSBXRBA-JTQLQIEISA-N 0 3 222.357 3.150 20 0 BGADHN C[C@@H](NCCC1CC=CC1)c1nccs1 ZINC000724209900 711570109 /nfs/dbraw/zinc/57/01/09/711570109.db2.gz XQGXOFCRSBXRBA-SNVBAGLBSA-N 0 3 222.357 3.150 20 0 BGADHN C1=CCC(CCNCc2csc(C3CC3)n2)C1 ZINC000724219393 711571423 /nfs/dbraw/zinc/57/14/23/711571423.db2.gz RWIGGOMHDBMBQJ-UHFFFAOYSA-N 0 3 248.395 3.466 20 0 BGADHN CC[C@@H](NCc1nc(C(C)(C)C)co1)C(C)C ZINC000724394745 711577949 /nfs/dbraw/zinc/57/79/49/711577949.db2.gz NMZFTWJKRUZHSX-LLVKDONJSA-N 0 3 238.375 3.496 20 0 BGADHN CC[C@H](NCc1nc(C(C)(C)C)co1)C(C)C ZINC000724394746 711577430 /nfs/dbraw/zinc/57/74/30/711577430.db2.gz NMZFTWJKRUZHSX-NSHDSACASA-N 0 3 238.375 3.496 20 0 BGADHN Cc1nc(C)c(CN[C@H](C)c2ccc(C)cc2)[nH]1 ZINC000724784134 711614255 /nfs/dbraw/zinc/61/42/55/711614255.db2.gz OTPUEHQLJKBFRD-LLVKDONJSA-N 0 3 243.354 3.186 20 0 BGADHN Cc1nc(C)c(CN[C@@H](C)c2ccc(C)cc2)[nH]1 ZINC000724784136 711614325 /nfs/dbraw/zinc/61/43/25/711614325.db2.gz OTPUEHQLJKBFRD-NSHDSACASA-N 0 3 243.354 3.186 20 0 BGADHN Cc1nc(C)c(CN[C@H](C)c2ccccc2C)[nH]1 ZINC000724784293 711613940 /nfs/dbraw/zinc/61/39/40/711613940.db2.gz TZSCYTZGEGBSAY-LLVKDONJSA-N 0 3 243.354 3.186 20 0 BGADHN Cc1nc(C)c(CN2CCC[C@@H]3CCCC[C@@H]32)[nH]1 ZINC000724784614 711613950 /nfs/dbraw/zinc/61/39/50/711613950.db2.gz IQXOUDKRCNGWME-ZFWWWQNUSA-N 0 3 247.386 3.181 20 0 BGADHN Cc1nc(C)c(CN2CCC3(CCCC3)CC2)[nH]1 ZINC000724784934 711614009 /nfs/dbraw/zinc/61/40/09/711614009.db2.gz SQMXUHNLNARDAU-UHFFFAOYSA-N 0 3 247.386 3.183 20 0 BGADHN Cc1nc(C)c(CNC(C)(C)c2ccccc2)[nH]1 ZINC000724785185 711613914 /nfs/dbraw/zinc/61/39/14/711613914.db2.gz IRYJJXDZALZTLH-UHFFFAOYSA-N 0 3 243.354 3.051 20 0 BGADHN CC[C@H](NCc1[nH]c(C)nc1C)c1ccccc1 ZINC000724785258 711613958 /nfs/dbraw/zinc/61/39/58/711613958.db2.gz PLNJLLUSAQQXAG-AWEZNQCLSA-N 0 3 243.354 3.267 20 0 BGADHN CC[C@@H](NCc1[nH]c(C)nc1C)c1ccccc1 ZINC000724785259 711614100 /nfs/dbraw/zinc/61/41/00/711614100.db2.gz PLNJLLUSAQQXAG-CQSZACIVSA-N 0 3 243.354 3.267 20 0 BGADHN Cc1nc(C)c(CN2CCC(C(C)(C)C)CC2)[nH]1 ZINC000724786316 711614806 /nfs/dbraw/zinc/61/48/06/711614806.db2.gz JCTPLVAXPQFURZ-UHFFFAOYSA-N 0 3 249.402 3.285 20 0 BGADHN CC(C)Cc1ccc(CN2CCSCC2)cc1 ZINC000726067043 583317309 /nfs/dbraw/zinc/31/73/09/583317309.db2.gz IVPQILUKHDWFCQ-UHFFFAOYSA-N 0 3 249.423 3.434 20 0 BGADHN CCCCOCCNC/C(C)=C\c1ccccc1 ZINC000726606034 583362249 /nfs/dbraw/zinc/36/22/49/583362249.db2.gz QTZNYRJYAFCETA-SQFISAMPSA-N 0 3 247.382 3.496 20 0 BGADHN CC1(C)CCN(C[C@H]2CC2(Cl)Cl)CC1 ZINC000727025751 583590656 /nfs/dbraw/zinc/59/06/56/583590656.db2.gz KOSBOAYKYXSFOZ-SECBINFHSA-N 0 3 236.186 3.302 20 0 BGADHN CC1(C)CCN(C[C@@H]2CC2(Cl)Cl)CC1 ZINC000727025756 583590728 /nfs/dbraw/zinc/59/07/28/583590728.db2.gz KOSBOAYKYXSFOZ-VIFPVBQESA-N 0 3 236.186 3.302 20 0 BGADHN C[C@@H]1CCC[C@H](NCc2coc(C3CC3)n2)[C@@H]1C ZINC000727464135 583655481 /nfs/dbraw/zinc/65/54/81/583655481.db2.gz QXLDXTXCAAVACQ-GYSYKLTISA-N 0 3 248.370 3.466 20 0 BGADHN C[C@@H]1CCC[C@@H](NCc2coc(C3CC3)n2)[C@@H]1C ZINC000727464136 583655731 /nfs/dbraw/zinc/65/57/31/583655731.db2.gz QXLDXTXCAAVACQ-JTNHKYCSSA-N 0 3 248.370 3.466 20 0 BGADHN C[C@@H]1CCC[C@H](NCc2coc(C3CC3)n2)[C@H]1C ZINC000727464137 583655530 /nfs/dbraw/zinc/65/55/30/583655530.db2.gz QXLDXTXCAAVACQ-SUNKGSAMSA-N 0 3 248.370 3.466 20 0 BGADHN C[C@@H]1CCC[C@@H](NCc2coc(C3CC3)n2)[C@H]1C ZINC000727464138 583655411 /nfs/dbraw/zinc/65/54/11/583655411.db2.gz QXLDXTXCAAVACQ-UHIISALHSA-N 0 3 248.370 3.466 20 0 BGADHN C[C@H]1CCCC[C@@H]1NCc1coc(C2CC2)n1 ZINC000727464461 583654759 /nfs/dbraw/zinc/65/47/59/583654759.db2.gz SBAICVNDDKSBOB-GWCFXTLKSA-N 0 3 234.343 3.220 20 0 BGADHN C[C@H]1CCCC[C@H]1NCc1coc(C2CC2)n1 ZINC000727464462 583654673 /nfs/dbraw/zinc/65/46/73/583654673.db2.gz SBAICVNDDKSBOB-GXFFZTMASA-N 0 3 234.343 3.220 20 0 BGADHN C[C@@H]1CCCC[C@@H]1NCc1coc(C2CC2)n1 ZINC000727464463 583654466 /nfs/dbraw/zinc/65/44/66/583654466.db2.gz SBAICVNDDKSBOB-MFKMUULPSA-N 0 3 234.343 3.220 20 0 BGADHN C[C@@H]1CCCC[C@H]1NCc1coc(C2CC2)n1 ZINC000727464464 583654628 /nfs/dbraw/zinc/65/46/28/583654628.db2.gz SBAICVNDDKSBOB-ZWNOBZJWSA-N 0 3 234.343 3.220 20 0 BGADHN c1cc(CNCC2(c3ccccc3)CCC2)co1 ZINC000727466264 583655462 /nfs/dbraw/zinc/65/54/62/583655462.db2.gz DXHWBZOHZGDBBR-UHFFFAOYSA-N 0 3 241.334 3.491 20 0 BGADHN Fc1ccc(C2(CNCc3ccoc3)CC2)cc1 ZINC000727466867 583655540 /nfs/dbraw/zinc/65/55/40/583655540.db2.gz GORVHAQZYDYTQZ-UHFFFAOYSA-N 0 3 245.297 3.240 20 0 BGADHN Cc1cccc(OCCCNCc2ccoc2)c1 ZINC000727467488 583655611 /nfs/dbraw/zinc/65/56/11/583655611.db2.gz BFKDFSMRVXOQLM-UHFFFAOYSA-N 0 3 245.322 3.147 20 0 BGADHN Cc1cccc(OC[C@@H](C)NCc2ccoc2)c1 ZINC000727468511 583657579 /nfs/dbraw/zinc/65/75/79/583657579.db2.gz JWSGYKPHTZDZJU-CYBMUJFWSA-N 0 3 245.322 3.145 20 0 BGADHN Cc1cccc(OC[C@H](C)NCc2ccoc2)c1 ZINC000727468512 583657262 /nfs/dbraw/zinc/65/72/62/583657262.db2.gz JWSGYKPHTZDZJU-ZDUSSCGKSA-N 0 3 245.322 3.145 20 0 BGADHN C[C@H](CNCc1ccoc1)c1cccc(F)c1 ZINC000727468585 583657445 /nfs/dbraw/zinc/65/74/45/583657445.db2.gz TVUFQJJFBBLDNE-LLVKDONJSA-N 0 3 233.286 3.312 20 0 BGADHN C[C@@H](CNCc1ccoc1)c1cccc(F)c1 ZINC000727468587 583657338 /nfs/dbraw/zinc/65/73/38/583657338.db2.gz TVUFQJJFBBLDNE-NSHDSACASA-N 0 3 233.286 3.312 20 0 BGADHN C[C@@H]1CCC[C@@H](C)C1NCc1coc(C2CC2)n1 ZINC000727468965 583657574 /nfs/dbraw/zinc/65/75/74/583657574.db2.gz YLJJXYOOROMIKY-GHMZBOCLSA-N 0 3 248.370 3.466 20 0 BGADHN C[C@H]1CCC[C@H](C)C1NCc1coc(C2CC2)n1 ZINC000727468966 583657177 /nfs/dbraw/zinc/65/71/77/583657177.db2.gz YLJJXYOOROMIKY-QWRGUYRKSA-N 0 3 248.370 3.466 20 0 BGADHN C[C@@H]1CCC[C@H](C)[C@H]1NCc1coc(C2CC2)n1 ZINC000727468968 583657151 /nfs/dbraw/zinc/65/71/51/583657151.db2.gz YLJJXYOOROMIKY-YABSGUDNSA-N 0 3 248.370 3.466 20 0 BGADHN Cc1ccc(CCNCc2ccoc2)c(C)c1 ZINC000727469404 583658017 /nfs/dbraw/zinc/65/80/17/583658017.db2.gz YDXUDABCZBPIJM-UHFFFAOYSA-N 0 3 229.323 3.229 20 0 BGADHN CC(C)(CNCc1ccoc1)c1ccccc1F ZINC000727469763 583658046 /nfs/dbraw/zinc/65/80/46/583658046.db2.gz FWWUUBVNXNGDTD-UHFFFAOYSA-N 0 3 247.313 3.486 20 0 BGADHN Cc1ccccc1C1(CNCc2ccoc2)CC1 ZINC000727470389 583656226 /nfs/dbraw/zinc/65/62/26/583656226.db2.gz VTQPUPGCIMBQHC-UHFFFAOYSA-N 0 3 241.334 3.409 20 0 BGADHN Cc1ccc(OCCCNCc2ccoc2)cc1 ZINC000727470713 583656912 /nfs/dbraw/zinc/65/69/12/583656912.db2.gz JBWIBDGZQNNQTH-UHFFFAOYSA-N 0 3 245.322 3.147 20 0 BGADHN C[C@H](CN(C)C/C=C\Cl)c1ccccc1 ZINC000727585311 583686774 /nfs/dbraw/zinc/68/67/74/583686774.db2.gz HPAZEGBIKUWFCB-OJIASSBASA-N 0 3 223.747 3.474 20 0 BGADHN C[C@@H](CN(C)C/C=C\Cl)c1ccccc1 ZINC000727585312 583686535 /nfs/dbraw/zinc/68/65/35/583686535.db2.gz HPAZEGBIKUWFCB-PWWFUAJNSA-N 0 3 223.747 3.474 20 0 BGADHN CC(C)(C)[C@@H]1CCCC[C@@H]1CNCc1ncc[nH]1 ZINC000727644348 583712288 /nfs/dbraw/zinc/71/22/88/583712288.db2.gz BLHFJOJSAYXYQI-CHWSQXEVSA-N 0 3 249.402 3.352 20 0 BGADHN CC(C)(C)[C@H]1CCCC[C@@H]1CNCc1ncc[nH]1 ZINC000727644351 583712255 /nfs/dbraw/zinc/71/22/55/583712255.db2.gz BLHFJOJSAYXYQI-OLZOCXBDSA-N 0 3 249.402 3.352 20 0 BGADHN CC(C)(C)[C@@H]1CCCC[C@H]1CNCc1ncc[nH]1 ZINC000727644352 583712341 /nfs/dbraw/zinc/71/23/41/583712341.db2.gz BLHFJOJSAYXYQI-QWHCGFSZSA-N 0 3 249.402 3.352 20 0 BGADHN CC(C)(C)[C@H]1CCCC[C@H]1CNCc1ncc[nH]1 ZINC000727644353 583712620 /nfs/dbraw/zinc/71/26/20/583712620.db2.gz BLHFJOJSAYXYQI-STQMWFEESA-N 0 3 249.402 3.352 20 0 BGADHN CCCN(CC)Cn1cc(-c2ccccc2)cn1 ZINC000727820380 583777811 /nfs/dbraw/zinc/77/78/11/583777811.db2.gz GJPPTPIQOTXSRI-UHFFFAOYSA-N 0 3 243.354 3.240 20 0 BGADHN CCC[C@@H]1CCCC[C@@H]1Nc1cc(C)nc(N)n1 ZINC000728286422 583854674 /nfs/dbraw/zinc/85/46/74/583854674.db2.gz FJKWDJRPGAGGCF-NEPJUHHUSA-N 0 3 248.374 3.138 20 0 BGADHN CCC[C@H]1CCCC[C@H]1Nc1cc(C)nc(N)n1 ZINC000728286423 583854653 /nfs/dbraw/zinc/85/46/53/583854653.db2.gz FJKWDJRPGAGGCF-NWDGAFQWSA-N 0 3 248.374 3.138 20 0 BGADHN CCC[C@H]1CCCC[C@@H]1Nc1cc(C)nc(N)n1 ZINC000728286425 583854970 /nfs/dbraw/zinc/85/49/70/583854970.db2.gz FJKWDJRPGAGGCF-RYUDHWBXSA-N 0 3 248.374 3.138 20 0 BGADHN CCC[C@@H]1CCCC[C@H]1Nc1cc(C)nc(N)n1 ZINC000728286426 583854984 /nfs/dbraw/zinc/85/49/84/583854984.db2.gz FJKWDJRPGAGGCF-VXGBXAGGSA-N 0 3 248.374 3.138 20 0 BGADHN CN(Cc1ccc(F)cc1F)C[Si](C)(C)C ZINC000729266970 583987946 /nfs/dbraw/zinc/98/79/46/583987946.db2.gz FVFYMVVRNJVCRR-UHFFFAOYSA-N 0 3 243.373 3.274 20 0 BGADHN CCc1nc(CN(C)C[Si](C)(C)C)cs1 ZINC000729268223 583987941 /nfs/dbraw/zinc/98/79/41/583987941.db2.gz RSMYZNLAWOTIPH-UHFFFAOYSA-N 0 3 242.464 3.015 20 0 BGADHN CC/C=C(/C)C(=O)Nc1ccccc1CN(C)C ZINC000729316722 583989768 /nfs/dbraw/zinc/98/97/68/583989768.db2.gz YKMAJSZZWKTMLF-WQLSENKSSA-N 0 3 246.354 3.043 20 0 BGADHN CC/C=C(\C)C(=O)Nc1ccccc1CN(C)C ZINC000729316723 583989869 /nfs/dbraw/zinc/98/98/69/583989869.db2.gz YKMAJSZZWKTMLF-XYOKQWHBSA-N 0 3 246.354 3.043 20 0 BGADHN CC(C)=CCN1CCc2c(C)cccc2C1 ZINC000729480005 584015514 /nfs/dbraw/zinc/01/55/14/584015514.db2.gz STSXCTQIFLKHAA-UHFFFAOYSA-N 0 3 215.340 3.319 20 0 BGADHN CCCCOCCN1CCc2c(C)cccc2C1 ZINC000729543281 584017770 /nfs/dbraw/zinc/01/77/70/584017770.db2.gz LJCBFATVDDZHOQ-UHFFFAOYSA-N 0 3 247.382 3.170 20 0 BGADHN CCOc1ccccc1CCNCc1ccoc1 ZINC000729685269 584022656 /nfs/dbraw/zinc/02/26/56/584022656.db2.gz BUJCURHSPOGTJD-UHFFFAOYSA-N 0 3 245.322 3.011 20 0 BGADHN Cc1ccccc1OCCCNCc1ccoc1 ZINC000729686631 584022820 /nfs/dbraw/zinc/02/28/20/584022820.db2.gz ONPPTKIXHRVNLQ-UHFFFAOYSA-N 0 3 245.322 3.147 20 0 BGADHN CCCC[C@@H]1CCC[C@@H]1Nc1cc(C)nc(N)n1 ZINC000731026768 584921040 /nfs/dbraw/zinc/92/10/40/584921040.db2.gz IVDDRLQUMMBGDF-NEPJUHHUSA-N 0 3 248.374 3.138 20 0 BGADHN CCCC[C@H]1CCC[C@H]1Nc1cc(C)nc(N)n1 ZINC000731026769 584921043 /nfs/dbraw/zinc/92/10/43/584921043.db2.gz IVDDRLQUMMBGDF-NWDGAFQWSA-N 0 3 248.374 3.138 20 0 BGADHN CCCC[C@H]1CCC[C@@H]1Nc1cc(C)nc(N)n1 ZINC000731026770 584921013 /nfs/dbraw/zinc/92/10/13/584921013.db2.gz IVDDRLQUMMBGDF-RYUDHWBXSA-N 0 3 248.374 3.138 20 0 BGADHN CCCC[C@@H]1CCC[C@H]1Nc1cc(C)nc(N)n1 ZINC000731026771 584921129 /nfs/dbraw/zinc/92/11/29/584921129.db2.gz IVDDRLQUMMBGDF-VXGBXAGGSA-N 0 3 248.374 3.138 20 0 BGADHN COc1ccc(CN(C)[C@@H]2C=CCCC2)cc1F ZINC000731210665 584923732 /nfs/dbraw/zinc/92/37/32/584923732.db2.gz ZMMAVXFXWMGZPJ-CYBMUJFWSA-N 0 3 249.329 3.375 20 0 BGADHN COc1ccc(CN(C)[C@H]2C=CCCC2)cc1F ZINC000731210666 584923845 /nfs/dbraw/zinc/92/38/45/584923845.db2.gz ZMMAVXFXWMGZPJ-ZDUSSCGKSA-N 0 3 249.329 3.375 20 0 BGADHN C[Si](C)(C)C[N@H+]1CCC[C@H]1c1ccc([O-])cc1 ZINC000731212131 584923619 /nfs/dbraw/zinc/92/36/19/584923619.db2.gz VGOHGKUMFHYYPH-AWEZNQCLSA-N 0 3 249.430 3.407 20 0 BGADHN C[Si](C)(C)C[N@@H+]1CCC[C@H]1c1ccc([O-])cc1 ZINC000731212131 584923618 /nfs/dbraw/zinc/92/36/18/584923618.db2.gz VGOHGKUMFHYYPH-AWEZNQCLSA-N 0 3 249.430 3.407 20 0 BGADHN C[Si](C)(C)C[N@H+]1CCC[C@@H]1c1ccc([O-])cc1 ZINC000731212132 584923710 /nfs/dbraw/zinc/92/37/10/584923710.db2.gz VGOHGKUMFHYYPH-CQSZACIVSA-N 0 3 249.430 3.407 20 0 BGADHN C[Si](C)(C)C[N@@H+]1CCC[C@@H]1c1ccc([O-])cc1 ZINC000731212132 584923709 /nfs/dbraw/zinc/92/37/09/584923709.db2.gz VGOHGKUMFHYYPH-CQSZACIVSA-N 0 3 249.430 3.407 20 0 BGADHN Cc1cccc2c1CCN([C@H]1C=CCCC1)C2 ZINC000731212808 584923660 /nfs/dbraw/zinc/92/36/60/584923660.db2.gz GALGOYVPOCUBLN-HNNXBMFYSA-N 0 3 227.351 3.462 20 0 BGADHN Cc1cccc2c1CCN([C@@H]1C=CCCC1)C2 ZINC000731212811 584923811 /nfs/dbraw/zinc/92/38/11/584923811.db2.gz GALGOYVPOCUBLN-OAHLLOKOSA-N 0 3 227.351 3.462 20 0 BGADHN CCCN(CC)Cn1ccc(-c2ccsc2)n1 ZINC000731659872 584928114 /nfs/dbraw/zinc/92/81/14/584928114.db2.gz DSJFZHXBRMPWMG-UHFFFAOYSA-N 0 3 249.383 3.301 20 0 BGADHN CCCN(CC)Cn1ccc(-c2cccs2)n1 ZINC000731659951 584928243 /nfs/dbraw/zinc/92/82/43/584928243.db2.gz JEGNPFOWYRFLCA-UHFFFAOYSA-N 0 3 249.383 3.301 20 0 BGADHN CCCN(CC)Cn1ccc(-c2ccccc2)n1 ZINC000731660235 584928072 /nfs/dbraw/zinc/92/80/72/584928072.db2.gz RSYBMINDFZAUKH-UHFFFAOYSA-N 0 3 243.354 3.240 20 0 BGADHN CC(C)CN(C)Cn1ccc(-c2cccs2)n1 ZINC000731661362 584927973 /nfs/dbraw/zinc/92/79/73/584927973.db2.gz JLCOZHPYJMYKGI-UHFFFAOYSA-N 0 3 249.383 3.157 20 0 BGADHN CC(C)CN(C)Cn1ccc(-c2ccccc2)n1 ZINC000731661890 584927998 /nfs/dbraw/zinc/92/79/98/584927998.db2.gz VVCJJUOFIQXTME-UHFFFAOYSA-N 0 3 243.354 3.095 20 0 BGADHN CN(Cc1ccno1)C1CCCCCCC1 ZINC000731850274 584929982 /nfs/dbraw/zinc/92/99/82/584929982.db2.gz SFCZOIAXHDKIEJ-UHFFFAOYSA-N 0 3 222.332 3.219 20 0 BGADHN CCS[C@@H]1CCCCN(C/C=C\Cl)C1 ZINC000732591748 584938927 /nfs/dbraw/zinc/93/89/27/584938927.db2.gz YFKQAOPWXZNHFC-JPVGGKMYSA-N 0 3 233.808 3.347 20 0 BGADHN CCS[C@@H]1CCCCN(C/C=C/Cl)C1 ZINC000732591749 584938902 /nfs/dbraw/zinc/93/89/02/584938902.db2.gz YFKQAOPWXZNHFC-OKPNEXGHSA-N 0 3 233.808 3.347 20 0 BGADHN CCS[C@H]1CCCCN(C/C=C\Cl)C1 ZINC000732591750 584938906 /nfs/dbraw/zinc/93/89/06/584938906.db2.gz YFKQAOPWXZNHFC-XOIDGJRKSA-N 0 3 233.808 3.347 20 0 BGADHN CCS[C@H]1CCCCN(C/C=C/Cl)C1 ZINC000732591751 584939008 /nfs/dbraw/zinc/93/90/08/584939008.db2.gz YFKQAOPWXZNHFC-ZRQQLDRUSA-N 0 3 233.808 3.347 20 0 BGADHN CC1(C)CCCN(C[C@H]2CC2(Cl)Cl)C1 ZINC000733029307 584942333 /nfs/dbraw/zinc/94/23/33/584942333.db2.gz CECKLLSQAOHLFD-SECBINFHSA-N 0 3 236.186 3.302 20 0 BGADHN CC1(C)CCCN(C[C@@H]2CC2(Cl)Cl)C1 ZINC000733029308 584942461 /nfs/dbraw/zinc/94/24/61/584942461.db2.gz CECKLLSQAOHLFD-VIFPVBQESA-N 0 3 236.186 3.302 20 0 BGADHN Cc1ccccc1OCCN1CCCC(C)(C)C1 ZINC000733032731 584942511 /nfs/dbraw/zinc/94/25/11/584942511.db2.gz YNSJURNWYHFTBL-UHFFFAOYSA-N 0 3 247.382 3.496 20 0 BGADHN CC(C)c1cnc(CN2CCC[C@@H]2C(C)C)o1 ZINC000733308680 584946863 /nfs/dbraw/zinc/94/68/63/584946863.db2.gz OYQPSNZNYSKONH-GFCCVEGCSA-N 0 3 236.359 3.418 20 0 BGADHN CC(C)c1cnc(CN2CCC[C@H]2C(C)C)o1 ZINC000733308682 584946722 /nfs/dbraw/zinc/94/67/22/584946722.db2.gz OYQPSNZNYSKONH-LBPRGKRZSA-N 0 3 236.359 3.418 20 0 BGADHN CC(C)c1cnc(CN(C)C(C2CC2)C2CC2)o1 ZINC000733309440 584946826 /nfs/dbraw/zinc/94/68/26/584946826.db2.gz OODCRKOFNGEKJE-UHFFFAOYSA-N 0 3 248.370 3.418 20 0 BGADHN C[C@H](NCc1coc(C2CC2)n1)C1CCCC1 ZINC000733800262 584953539 /nfs/dbraw/zinc/95/35/39/584953539.db2.gz KIQZVIKUDPITTN-JTQLQIEISA-N 0 3 234.343 3.220 20 0 BGADHN C[C@@H](NCc1coc(C2CC2)n1)C1CCCC1 ZINC000733800263 584953422 /nfs/dbraw/zinc/95/34/22/584953422.db2.gz KIQZVIKUDPITTN-SNVBAGLBSA-N 0 3 234.343 3.220 20 0 BGADHN CC(C)[C@@H]1CCCN(C/C=C\Cl)CC1 ZINC000734209249 584959318 /nfs/dbraw/zinc/95/93/18/584959318.db2.gz CUBZSMZSNSDCMQ-DJFZKKHWSA-N 0 3 215.768 3.497 20 0 BGADHN CC(C)[C@H]1CCCN(C/C=C\Cl)CC1 ZINC000734209250 584959440 /nfs/dbraw/zinc/95/94/40/584959440.db2.gz CUBZSMZSNSDCMQ-KMSCOEIWSA-N 0 3 215.768 3.497 20 0 BGADHN CC(C)[C@H]1CCCN(C/C=C/Cl)CC1 ZINC000734209251 584959374 /nfs/dbraw/zinc/95/93/74/584959374.db2.gz CUBZSMZSNSDCMQ-NTYUQYKDSA-N 0 3 215.768 3.497 20 0 BGADHN CC(C)[C@@H]1CCCN(C/C=C/Cl)CC1 ZINC000734209252 584959356 /nfs/dbraw/zinc/95/93/56/584959356.db2.gz CUBZSMZSNSDCMQ-RPTYSRGTSA-N 0 3 215.768 3.497 20 0 BGADHN CC(C)c1cnc(CN(CC2CC2)CC2CC2)o1 ZINC000734488064 643499235 /nfs/dbraw/zinc/49/92/35/643499235.db2.gz NBILGZSTBMFHHP-UHFFFAOYSA-N 0 3 248.370 3.420 20 0 BGADHN CC(C)(C)C1CCN(C/C=C\Cl)CC1 ZINC000734852170 584968751 /nfs/dbraw/zinc/96/87/51/584968751.db2.gz LFIFKFPTTBCFLH-DAXSKMNVSA-N 0 3 215.768 3.497 20 0 BGADHN CC(C)(C)C1CCN(C/C=C/Cl)CC1 ZINC000734852171 584968908 /nfs/dbraw/zinc/96/89/08/584968908.db2.gz LFIFKFPTTBCFLH-QPJJXVBHSA-N 0 3 215.768 3.497 20 0 BGADHN CC(C)(CNCc1ccoc1)c1cccc(F)c1 ZINC000735677182 584980647 /nfs/dbraw/zinc/98/06/47/584980647.db2.gz NMFJCNOPSBKAIW-UHFFFAOYSA-N 0 3 247.313 3.486 20 0 BGADHN CCc1ccc(CCNCc2ccoc2)cc1 ZINC000736357142 584998877 /nfs/dbraw/zinc/99/88/77/584998877.db2.gz FFAYAOSFKLPQMA-UHFFFAOYSA-N 0 3 229.323 3.174 20 0 BGADHN c1cc(CNCCc2cc3ccccc3o2)co1 ZINC000740011488 585089993 /nfs/dbraw/zinc/08/99/93/585089993.db2.gz ODYRCBOOOGJNLU-UHFFFAOYSA-N 0 3 241.290 3.358 20 0 BGADHN CCCCCCN1CCOc2ccccc2C1 ZINC000740875140 644560882 /nfs/dbraw/zinc/56/08/82/644560882.db2.gz HSTWYRLNMCKTSS-UHFFFAOYSA-N 0 3 233.355 3.461 20 0 BGADHN CCCCCCN1CCc2ccc(O)cc2C1 ZINC000740878787 644563747 /nfs/dbraw/zinc/56/37/47/644563747.db2.gz YCWHIHLRAWUJGB-UHFFFAOYSA-N 0 3 233.355 3.331 20 0 BGADHN Cc1cc(C)cc(CCNCc2nccs2)c1 ZINC000740899810 585108130 /nfs/dbraw/zinc/10/81/30/585108130.db2.gz DNQPUIBTYRQFHM-UHFFFAOYSA-N 0 3 246.379 3.092 20 0 BGADHN Cc1cc(C)cc(CCNCc2ccoc2)c1 ZINC000740900018 585108061 /nfs/dbraw/zinc/10/80/61/585108061.db2.gz IKJIHDUZFIOATI-UHFFFAOYSA-N 0 3 229.323 3.229 20 0 BGADHN CCSCCN1Cc2ccccc2[C@H](C)C1 ZINC000741773204 585118073 /nfs/dbraw/zinc/11/80/73/585118073.db2.gz IVVRXVWXTIQLQW-GFCCVEGCSA-N 0 3 235.396 3.359 20 0 BGADHN CCSCCN1Cc2ccccc2[C@@H](C)C1 ZINC000741773205 585118360 /nfs/dbraw/zinc/11/83/60/585118360.db2.gz IVVRXVWXTIQLQW-LBPRGKRZSA-N 0 3 235.396 3.359 20 0 BGADHN CCCCOC(=O)[C@@H](C)N(CC(C)C)C(C)C ZINC000741781750 585118646 /nfs/dbraw/zinc/11/86/46/585118646.db2.gz UGKLELJBBIFMKX-CYBMUJFWSA-N 0 3 243.391 3.085 20 0 BGADHN CCCCOC(=O)[C@H](C)N(CC(C)C)C(C)C ZINC000741781752 585118809 /nfs/dbraw/zinc/11/88/09/585118809.db2.gz UGKLELJBBIFMKX-ZDUSSCGKSA-N 0 3 243.391 3.085 20 0 BGADHN CCCCOC(=O)[C@@H](C)N(CCC)CC(C)C ZINC000741782420 585118695 /nfs/dbraw/zinc/11/86/95/585118695.db2.gz UXPUAVMSPJWIGQ-CYBMUJFWSA-N 0 3 243.391 3.086 20 0 BGADHN CCCCOC(=O)[C@H](C)N(CCC)CC(C)C ZINC000741782422 585118737 /nfs/dbraw/zinc/11/87/37/585118737.db2.gz UXPUAVMSPJWIGQ-ZDUSSCGKSA-N 0 3 243.391 3.086 20 0 BGADHN CCSCCN1CCc2c(C)cccc2C1 ZINC000741783876 585118665 /nfs/dbraw/zinc/11/86/65/585118665.db2.gz FMKCTIRIMIOMBY-UHFFFAOYSA-N 0 3 235.396 3.106 20 0 BGADHN CCSCCN(C)CCc1ccccc1F ZINC000741784994 585118598 /nfs/dbraw/zinc/11/85/98/585118598.db2.gz LVPDOFIQPDHQSA-UHFFFAOYSA-N 0 3 241.375 3.053 20 0 BGADHN CCCCOC(=O)[C@@H](C)N(CC)[C@H](C)C(C)C ZINC000741786895 584956515 /nfs/dbraw/zinc/95/65/15/584956515.db2.gz ABTHCNZLXIGCFC-CHWSQXEVSA-N 0 3 243.391 3.085 20 0 BGADHN CCCCOC(=O)[C@H](C)N(CC)[C@H](C)C(C)C ZINC000741786896 584956455 /nfs/dbraw/zinc/95/64/55/584956455.db2.gz ABTHCNZLXIGCFC-OLZOCXBDSA-N 0 3 243.391 3.085 20 0 BGADHN CCCCOC(=O)[C@@H](C)N(CC)[C@@H](C)C(C)C ZINC000741786897 584956423 /nfs/dbraw/zinc/95/64/23/584956423.db2.gz ABTHCNZLXIGCFC-QWHCGFSZSA-N 0 3 243.391 3.085 20 0 BGADHN CCCCOC(=O)[C@H](C)N(CC)[C@@H](C)C(C)C ZINC000741786898 584956444 /nfs/dbraw/zinc/95/64/44/584956444.db2.gz ABTHCNZLXIGCFC-STQMWFEESA-N 0 3 243.391 3.085 20 0 BGADHN c1cc(CN[C@H]2C[C@H]2Cc2ccccc2)co1 ZINC000742374761 585125415 /nfs/dbraw/zinc/12/54/15/585125415.db2.gz GCOHQIAJKIPULM-CABCVRRESA-N 0 3 227.307 3.000 20 0 BGADHN Cc1cccc(O[C@H](C)CNCc2ccoc2)c1 ZINC000742378140 711499073 /nfs/dbraw/zinc/49/90/73/711499073.db2.gz CBMPDUJWMNNFFI-CYBMUJFWSA-N 0 3 245.322 3.145 20 0 BGADHN Cc1cccc(O[C@@H](C)CNCc2ccoc2)c1 ZINC000742378148 711499118 /nfs/dbraw/zinc/49/91/18/711499118.db2.gz CBMPDUJWMNNFFI-ZDUSSCGKSA-N 0 3 245.322 3.145 20 0 BGADHN Cc1ccccc1O[C@H](C)CNCc1ccoc1 ZINC000742378851 585125527 /nfs/dbraw/zinc/12/55/27/585125527.db2.gz DCVDLJYUEARVBA-CYBMUJFWSA-N 0 3 245.322 3.145 20 0 BGADHN Cc1ccccc1O[C@@H](C)CNCc1ccoc1 ZINC000742378852 585125438 /nfs/dbraw/zinc/12/54/38/585125438.db2.gz DCVDLJYUEARVBA-ZDUSSCGKSA-N 0 3 245.322 3.145 20 0 BGADHN Cc1ccc(O[C@H](C)CNCc2ccoc2)cc1 ZINC000742380589 585125556 /nfs/dbraw/zinc/12/55/56/585125556.db2.gz OMRIDLFGXZSMIB-CYBMUJFWSA-N 0 3 245.322 3.145 20 0 BGADHN Cc1ccc(O[C@@H](C)CNCc2ccoc2)cc1 ZINC000742380591 585125348 /nfs/dbraw/zinc/12/53/48/585125348.db2.gz OMRIDLFGXZSMIB-ZDUSSCGKSA-N 0 3 245.322 3.145 20 0 BGADHN Cc1ccc(CC[C@@H](C)NCc2ccoc2)o1 ZINC000742380626 585125478 /nfs/dbraw/zinc/12/54/78/585125478.db2.gz QXDDAXGJFLMMGV-LLVKDONJSA-N 0 3 233.311 3.292 20 0 BGADHN Cc1ccc(CC[C@H](C)NCc2ccoc2)o1 ZINC000742380627 585125309 /nfs/dbraw/zinc/12/53/09/585125309.db2.gz QXDDAXGJFLMMGV-NSHDSACASA-N 0 3 233.311 3.292 20 0 BGADHN C/C(=C/c1ccccc1)CNCCOC1CCC1 ZINC000742386362 585125584 /nfs/dbraw/zinc/12/55/84/585125584.db2.gz BPNAFESXLYORCC-OWBHPGMISA-N 0 3 245.366 3.249 20 0 BGADHN C/C(=C\c1ccccc1)CNCCOC1CCC1 ZINC000742386363 585125379 /nfs/dbraw/zinc/12/53/79/585125379.db2.gz BPNAFESXLYORCC-WYMLVPIESA-N 0 3 245.366 3.249 20 0 BGADHN CCCc1ccc(CNCCOC2CCC2)cc1 ZINC000742387236 585125461 /nfs/dbraw/zinc/12/54/61/585125461.db2.gz PAVQZLSBCMUEOM-UHFFFAOYSA-N 0 3 247.382 3.298 20 0 BGADHN Cc1cc(NCCCCC2CCCC2)nc(N)n1 ZINC000742425652 585126021 /nfs/dbraw/zinc/12/60/21/585126021.db2.gz IUYTWBVRFSNGAC-UHFFFAOYSA-N 0 3 248.374 3.140 20 0 BGADHN CCCCCCNCc1cn2cc(C)ccc2n1 ZINC000742840789 585131963 /nfs/dbraw/zinc/13/19/63/585131963.db2.gz BIOLSLRWDMQIFL-UHFFFAOYSA-N 0 3 245.370 3.313 20 0 BGADHN CCCCN(Cn1cc[nH]c1=S)[C@H](C)CC ZINC000743354126 585135467 /nfs/dbraw/zinc/13/54/67/585135467.db2.gz MGASGVJJFKIIHY-LLVKDONJSA-N 0 3 241.404 3.030 20 0 BGADHN CCCCN(Cn1cc[nH]c1=S)[C@@H](C)CC ZINC000743354127 585135688 /nfs/dbraw/zinc/13/56/88/585135688.db2.gz MGASGVJJFKIIHY-NSHDSACASA-N 0 3 241.404 3.030 20 0 BGADHN COC[C@H](C)N1CC=C(c2ccc(C)cc2)CC1 ZINC000743836364 585139940 /nfs/dbraw/zinc/13/99/40/585139940.db2.gz UXJXWVRIGHXOIN-AWEZNQCLSA-N 0 3 245.366 3.119 20 0 BGADHN COC[C@@H](C)N1CC=C(c2ccc(C)cc2)CC1 ZINC000743836365 585139984 /nfs/dbraw/zinc/13/99/84/585139984.db2.gz UXJXWVRIGHXOIN-CQSZACIVSA-N 0 3 245.366 3.119 20 0 BGADHN CN(CCCCCCCO)Cc1ccsc1 ZINC000743840090 585140321 /nfs/dbraw/zinc/14/03/21/585140321.db2.gz VIRBFQJUNZQZEA-UHFFFAOYSA-N 0 3 241.400 3.123 20 0 BGADHN CCN(CCCCCCCO)Cc1ccoc1 ZINC000743844877 585140304 /nfs/dbraw/zinc/14/03/04/585140304.db2.gz YWBJKNMYMDOOFG-UHFFFAOYSA-N 0 3 239.359 3.044 20 0 BGADHN Cl/C=C/CN(C[C@H]1CCCO1)C1CCCC1 ZINC000743852129 585140904 /nfs/dbraw/zinc/14/09/04/585140904.db2.gz MUJFYGFJUIRKKC-FLUIGGAXSA-N 0 3 243.778 3.163 20 0 BGADHN Cl/C=C/CN(C[C@@H]1CCCO1)C1CCCC1 ZINC000743852133 585140874 /nfs/dbraw/zinc/14/08/74/585140874.db2.gz MUJFYGFJUIRKKC-GBVBUYCNSA-N 0 3 243.778 3.163 20 0 BGADHN Cl/C=C\CN(C[C@H]1CCCO1)C1CCCC1 ZINC000743852136 585140778 /nfs/dbraw/zinc/14/07/78/585140778.db2.gz MUJFYGFJUIRKKC-IBSXUBTNSA-N 0 3 243.778 3.163 20 0 BGADHN Cl/C=C\CN(C[C@@H]1CCCO1)C1CCCC1 ZINC000743852138 585140913 /nfs/dbraw/zinc/14/09/13/585140913.db2.gz MUJFYGFJUIRKKC-UKOWJOKBSA-N 0 3 243.778 3.163 20 0 BGADHN CN(Cc1cc(Cl)nc(Cl)c1)C1CCC1 ZINC000743853190 585141034 /nfs/dbraw/zinc/14/10/34/585141034.db2.gz WXZCKNHJTDZUTA-UHFFFAOYSA-N 0 3 245.153 3.373 20 0 BGADHN Cc1cccc(CN2CCC3(CCCC3)C2)n1 ZINC000743863714 585141053 /nfs/dbraw/zinc/14/10/53/585141053.db2.gz MCBOIEXUKSTHBO-UHFFFAOYSA-N 0 3 230.355 3.156 20 0 BGADHN CCCCN1CCN(c2ccc(CC)cc2)CC1 ZINC000743867342 585141701 /nfs/dbraw/zinc/14/17/01/585141701.db2.gz KFHNSIFZSDVTBF-UHFFFAOYSA-N 0 3 246.398 3.171 20 0 BGADHN CCc1ccc(N2CCN(CC(C)C)CC2)cc1 ZINC000743867808 585141593 /nfs/dbraw/zinc/14/15/93/585141593.db2.gz PAMDXFDHGHXDCI-UHFFFAOYSA-N 0 3 246.398 3.027 20 0 BGADHN CC(C)CN(C)Cn1cc(-c2ccccc2)cn1 ZINC000744152034 585144765 /nfs/dbraw/zinc/14/47/65/585144765.db2.gz WWXWYLVNLCRCIA-UHFFFAOYSA-N 0 3 243.354 3.095 20 0 BGADHN C[C@@H]1CN(CCOC(C)(C)C)Cc2ccccc21 ZINC000744193395 585145747 /nfs/dbraw/zinc/14/57/47/585145747.db2.gz OEGGZZBWFURQBL-CYBMUJFWSA-N 0 3 247.382 3.421 20 0 BGADHN C[C@H]1CN(CCOC(C)(C)C)Cc2ccccc21 ZINC000744193400 585145664 /nfs/dbraw/zinc/14/56/64/585145664.db2.gz OEGGZZBWFURQBL-ZDUSSCGKSA-N 0 3 247.382 3.421 20 0 BGADHN CC(C)CN(C)Cc1cc(Cl)nc(Cl)c1 ZINC000744212532 585146242 /nfs/dbraw/zinc/14/62/42/585146242.db2.gz GOPGDQVLEDQZID-UHFFFAOYSA-N 0 3 247.169 3.476 20 0 BGADHN CC(C)N(Cc1ccc(Cl)nc1)C1CCC1 ZINC000744405910 585149822 /nfs/dbraw/zinc/14/98/22/585149822.db2.gz ZFWXNJHHAQKNPG-UHFFFAOYSA-N 0 3 238.762 3.498 20 0 BGADHN CN(Cc1ccccc1N1CCCCC1)C1CC1 ZINC000745456289 585159322 /nfs/dbraw/zinc/15/93/22/585159322.db2.gz WJZHCOABOGGOPT-UHFFFAOYSA-N 0 3 244.382 3.271 20 0 BGADHN CC(C)OCCN(CCc1ccccc1)C1CC1 ZINC000746118778 585163309 /nfs/dbraw/zinc/16/33/09/585163309.db2.gz CQJJJMHARVRRQQ-UHFFFAOYSA-N 0 3 247.382 3.119 20 0 BGADHN Fc1ccc(F)c(SCCN2CCCC2)c1 ZINC000746237791 585166103 /nfs/dbraw/zinc/16/61/03/585166103.db2.gz ULWIVGOAFPGQFM-UHFFFAOYSA-N 0 3 243.322 3.153 20 0 BGADHN Fc1ccc(SCCN2CCCC2)cc1F ZINC000746244761 585166442 /nfs/dbraw/zinc/16/64/42/585166442.db2.gz DWMXDQMKJVHONN-UHFFFAOYSA-N 0 3 243.322 3.153 20 0 BGADHN Cc1ccc([C@H]2CCCN2CCF)cc1 ZINC000746499419 585168689 /nfs/dbraw/zinc/16/86/89/585168689.db2.gz KCUWZNFUIBJCNJ-CYBMUJFWSA-N 0 3 207.292 3.101 20 0 BGADHN Cc1ccc([C@@H]2CCCN2CCF)cc1 ZINC000746499423 585168552 /nfs/dbraw/zinc/16/85/52/585168552.db2.gz KCUWZNFUIBJCNJ-ZDUSSCGKSA-N 0 3 207.292 3.101 20 0 BGADHN FCCN1CCCC[C@H]1Cc1ccccc1 ZINC000746500535 585169407 /nfs/dbraw/zinc/16/94/07/585169407.db2.gz DPHBBGAVCXXSIL-AWEZNQCLSA-N 0 3 221.319 3.053 20 0 BGADHN FCCN1CCCC[C@@H]1Cc1ccccc1 ZINC000746500536 585169058 /nfs/dbraw/zinc/16/90/58/585169058.db2.gz DPHBBGAVCXXSIL-CQSZACIVSA-N 0 3 221.319 3.053 20 0 BGADHN FCCN(CCc1ccccc1)C1CCCC1 ZINC000746502501 585169462 /nfs/dbraw/zinc/16/94/62/585169462.db2.gz QYENGJTWLZTOJW-UHFFFAOYSA-N 0 3 235.346 3.443 20 0 BGADHN C[C@H](C1CC1)N(CCF)Cc1ccccc1 ZINC000746502591 585168419 /nfs/dbraw/zinc/16/84/19/585168419.db2.gz LJRWXNBQOHORGK-GFCCVEGCSA-N 0 3 221.319 3.257 20 0 BGADHN C[C@@H](C1CC1)N(CCF)Cc1ccccc1 ZINC000746502593 585168232 /nfs/dbraw/zinc/16/82/32/585168232.db2.gz LJRWXNBQOHORGK-LBPRGKRZSA-N 0 3 221.319 3.257 20 0 BGADHN Cc1cccc([C@H]2CCCN2CCF)c1 ZINC000746503378 585169300 /nfs/dbraw/zinc/16/93/00/585169300.db2.gz MSJIPYNVZCHQLM-CYBMUJFWSA-N 0 3 207.292 3.101 20 0 BGADHN Cc1cccc([C@@H]2CCCN2CCF)c1 ZINC000746503382 585169172 /nfs/dbraw/zinc/16/91/72/585169172.db2.gz MSJIPYNVZCHQLM-ZDUSSCGKSA-N 0 3 207.292 3.101 20 0 BGADHN FCCN(C1CC1)[C@H]1CCCc2ccccc21 ZINC000746503416 585169351 /nfs/dbraw/zinc/16/93/51/585169351.db2.gz NCMCRTUJZMSONW-HNNXBMFYSA-N 0 3 233.330 3.498 20 0 BGADHN FCCN(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000746503418 585169456 /nfs/dbraw/zinc/16/94/56/585169456.db2.gz NCMCRTUJZMSONW-OAHLLOKOSA-N 0 3 233.330 3.498 20 0 BGADHN CCCN(CCF)[C@H]1CCc2ccccc2C1 ZINC000746503957 585169167 /nfs/dbraw/zinc/16/91/67/585169167.db2.gz QPIOTFKMVSUVAT-HNNXBMFYSA-N 0 3 235.346 3.225 20 0 BGADHN CCCN(CCF)[C@@H]1CCc2ccccc2C1 ZINC000746503958 585169317 /nfs/dbraw/zinc/16/93/17/585169317.db2.gz QPIOTFKMVSUVAT-OAHLLOKOSA-N 0 3 235.346 3.225 20 0 BGADHN C[C@H]1CN(Cc2noc3c2CCCC3)C(C)(C)C1 ZINC000746677887 585171897 /nfs/dbraw/zinc/17/18/97/585171897.db2.gz INFHCKBLRNSYQC-LLVKDONJSA-N 0 3 248.370 3.174 20 0 BGADHN C[C@@H]1CN(Cc2noc3c2CCCC3)C(C)(C)C1 ZINC000746677888 585171843 /nfs/dbraw/zinc/17/18/43/585171843.db2.gz INFHCKBLRNSYQC-NSHDSACASA-N 0 3 248.370 3.174 20 0 BGADHN CCC(CC)[C@H](CCNCc1ccoc1)OC ZINC000746762601 585172570 /nfs/dbraw/zinc/17/25/70/585172570.db2.gz XVFZSMPZTIYBEE-AWEZNQCLSA-N 0 3 239.359 3.211 20 0 BGADHN CCC(CC)[C@@H](CCNCc1ccoc1)OC ZINC000746762605 585172596 /nfs/dbraw/zinc/17/25/96/585172596.db2.gz XVFZSMPZTIYBEE-CQSZACIVSA-N 0 3 239.359 3.211 20 0 BGADHN C[C@@H]1CN(Cc2cccn2C)Cc2ccccc21 ZINC000747353749 585178237 /nfs/dbraw/zinc/17/82/37/585178237.db2.gz ZEFNXECJJXXYMI-CYBMUJFWSA-N 0 3 240.350 3.144 20 0 BGADHN C[C@H]1CN(Cc2cccn2C)Cc2ccccc21 ZINC000747353751 585178284 /nfs/dbraw/zinc/17/82/84/585178284.db2.gz ZEFNXECJJXXYMI-ZDUSSCGKSA-N 0 3 240.350 3.144 20 0 BGADHN C[C@@H]1c2ccccc2CN1CC1(O)CCCCC1 ZINC000747532093 585180380 /nfs/dbraw/zinc/18/03/80/585180380.db2.gz RUNCWASFKMPTBQ-CYBMUJFWSA-N 0 3 245.366 3.258 20 0 BGADHN CC(C)CC1CCN(Cc2ccncc2)CC1 ZINC000747661723 585181929 /nfs/dbraw/zinc/18/19/29/585181929.db2.gz ZUQHQBUTFWWGCB-UHFFFAOYSA-N 0 3 232.371 3.340 20 0 BGADHN CC1(C)CCC[C@@H](NCc2cccc(F)n2)C1 ZINC000747935150 585185943 /nfs/dbraw/zinc/18/59/43/585185943.db2.gz GYRBZMNEEVLBPT-LLVKDONJSA-N 0 3 236.334 3.279 20 0 BGADHN CC1(C)CCC[C@H](NCc2cccc(F)n2)C1 ZINC000747935151 585186168 /nfs/dbraw/zinc/18/61/68/585186168.db2.gz GYRBZMNEEVLBPT-NSHDSACASA-N 0 3 236.334 3.279 20 0 BGADHN CCC1CCC(NCc2cccc(F)n2)CC1 ZINC000747935224 585185931 /nfs/dbraw/zinc/18/59/31/585185931.db2.gz KARTWXWZYGFCRK-UHFFFAOYSA-N 0 3 236.334 3.279 20 0 BGADHN Fc1cccc(CNCC2CCCCCC2)n1 ZINC000747935766 585186230 /nfs/dbraw/zinc/18/62/30/585186230.db2.gz LVEIYFBPPLHFPN-UHFFFAOYSA-N 0 3 236.334 3.281 20 0 BGADHN CC1(C)CCC(NCc2cccc(F)n2)CC1 ZINC000747935783 585186073 /nfs/dbraw/zinc/18/60/73/585186073.db2.gz MSZLYWXZFKVANJ-UHFFFAOYSA-N 0 3 236.334 3.279 20 0 BGADHN CC[C@@H]1CCC[C@H](NCc2cccc(F)n2)C1 ZINC000747935828 585186024 /nfs/dbraw/zinc/18/60/24/585186024.db2.gz PNIZYCIALUNMOD-NEPJUHHUSA-N 0 3 236.334 3.279 20 0 BGADHN CC[C@H]1CCC[C@@H](NCc2cccc(F)n2)C1 ZINC000747935829 585186241 /nfs/dbraw/zinc/18/62/41/585186241.db2.gz PNIZYCIALUNMOD-NWDGAFQWSA-N 0 3 236.334 3.279 20 0 BGADHN CC[C@H]1CCC[C@H](NCc2cccc(F)n2)C1 ZINC000747935830 585186115 /nfs/dbraw/zinc/18/61/15/585186115.db2.gz PNIZYCIALUNMOD-RYUDHWBXSA-N 0 3 236.334 3.279 20 0 BGADHN CC[C@@H]1CCC[C@@H](NCc2cccc(F)n2)C1 ZINC000747935831 585186064 /nfs/dbraw/zinc/18/60/64/585186064.db2.gz PNIZYCIALUNMOD-VXGBXAGGSA-N 0 3 236.334 3.279 20 0 BGADHN C[C@H]1CC(NCc2cccc(F)n2)C[C@H](C)C1 ZINC000747936612 585186201 /nfs/dbraw/zinc/18/62/01/585186201.db2.gz WQJGTWBMFBFULZ-GHMZBOCLSA-N 0 3 236.334 3.135 20 0 BGADHN C[C@H]1C[C@H](NCc2cccc(F)n2)C[C@@H](C)C1 ZINC000747936613 585186059 /nfs/dbraw/zinc/18/60/59/585186059.db2.gz WQJGTWBMFBFULZ-PJXYFTJBSA-N 0 3 236.334 3.135 20 0 BGADHN C[C@@H]1CC(NCc2cccc(F)n2)C[C@@H](C)C1 ZINC000747936614 585186021 /nfs/dbraw/zinc/18/60/21/585186021.db2.gz WQJGTWBMFBFULZ-QWRGUYRKSA-N 0 3 236.334 3.135 20 0 BGADHN Cc1ccc(N2CCN(C(C)C)[C@@H](C)C2)cc1C ZINC000747968032 585186348 /nfs/dbraw/zinc/18/63/48/585186348.db2.gz JTZFDAVMIUBDCU-HNNXBMFYSA-N 0 3 246.398 3.222 20 0 BGADHN Cc1ccc(N2CCN(C(C)C)[C@H](C)C2)cc1C ZINC000747968033 585186306 /nfs/dbraw/zinc/18/63/06/585186306.db2.gz JTZFDAVMIUBDCU-OAHLLOKOSA-N 0 3 246.398 3.222 20 0 BGADHN Cc1ncc(CN(C)C2CCCCCCC2)cn1 ZINC000748806454 585196787 /nfs/dbraw/zinc/19/67/87/585196787.db2.gz ZKQFHHXWAIBRGA-UHFFFAOYSA-N 0 3 247.386 3.330 20 0 BGADHN CCCCCCN(C)Cc1cccc(O)c1 ZINC000748817396 585196537 /nfs/dbraw/zinc/19/65/37/585196537.db2.gz NDGFPWFRRUZHAD-UHFFFAOYSA-N 0 3 221.344 3.404 20 0 BGADHN CCC(CC)N(Cc1nonc1C)CC(C)C ZINC000748829378 585197060 /nfs/dbraw/zinc/19/70/60/585197060.db2.gz VONPNZPOVBGYJY-UHFFFAOYSA-N 0 3 239.363 3.025 20 0 BGADHN CC(C)N(Cc1cscn1)C1CCCC1 ZINC000749176389 585200136 /nfs/dbraw/zinc/20/01/36/585200136.db2.gz KXCIBLRQDJYPSU-UHFFFAOYSA-N 0 3 224.373 3.296 20 0 BGADHN CN(CCc1cccs1)Cc1ccoc1 ZINC000749440961 585202294 /nfs/dbraw/zinc/20/22/94/585202294.db2.gz MJAFQNMYWBAKCW-UHFFFAOYSA-N 0 3 221.325 3.016 20 0 BGADHN Cc1cnc(CN(C)C2CCCCCCC2)cn1 ZINC000749442092 585202378 /nfs/dbraw/zinc/20/23/78/585202378.db2.gz OLLQIRXOOBOCMK-UHFFFAOYSA-N 0 3 247.386 3.330 20 0 BGADHN CCCCCCN(C)Cc1ccc(OC)nc1 ZINC000749573453 585204132 /nfs/dbraw/zinc/20/41/32/585204132.db2.gz UGXJVJWLADKFCG-UHFFFAOYSA-N 0 3 236.359 3.102 20 0 BGADHN CC1(C)CCC[C@H]1NCc1coc(C2CC2)n1 ZINC000749927411 585208442 /nfs/dbraw/zinc/20/84/42/585208442.db2.gz YOBYYHNBNBSALB-GFCCVEGCSA-N 0 3 234.343 3.220 20 0 BGADHN CC1(C)CCC[C@@H]1NCc1coc(C2CC2)n1 ZINC000749927412 585208638 /nfs/dbraw/zinc/20/86/38/585208638.db2.gz YOBYYHNBNBSALB-LBPRGKRZSA-N 0 3 234.343 3.220 20 0 BGADHN CC(C)c1cnc(CN2C[C@@H]3CCCC[C@@H]3C2)o1 ZINC000750062467 585209894 /nfs/dbraw/zinc/20/98/94/585209894.db2.gz NAGPVTVGYLUPQZ-BETUJISGSA-N 0 3 248.370 3.420 20 0 BGADHN CC(C)c1cnc(CN2C[C@H]3CCCC[C@@H]3C2)o1 ZINC000750062468 585209839 /nfs/dbraw/zinc/20/98/39/585209839.db2.gz NAGPVTVGYLUPQZ-CHWSQXEVSA-N 0 3 248.370 3.420 20 0 BGADHN CC(C)c1cnc(CN2C[C@@H]3CCCC[C@H]3C2)o1 ZINC000750062469 585209961 /nfs/dbraw/zinc/20/99/61/585209961.db2.gz NAGPVTVGYLUPQZ-STQMWFEESA-N 0 3 248.370 3.420 20 0 BGADHN C[C@@H]1c2ccccc2CN1CCCCCCO ZINC000750185572 585212116 /nfs/dbraw/zinc/21/21/16/585212116.db2.gz OHEXQXIIFBUTAV-CYBMUJFWSA-N 0 3 233.355 3.116 20 0 BGADHN C[C@H]1c2ccccc2CN1CCCCCCO ZINC000750185573 585211948 /nfs/dbraw/zinc/21/19/48/585211948.db2.gz OHEXQXIIFBUTAV-ZDUSSCGKSA-N 0 3 233.355 3.116 20 0 BGADHN Cl/C=C\CN1CCSC2(CCCCC2)C1 ZINC000750983660 585223276 /nfs/dbraw/zinc/22/32/76/585223276.db2.gz KUBASQMBRNGRNN-DAXSKMNVSA-N 0 3 245.819 3.491 20 0 BGADHN Cl/C=C/CN1CCSC2(CCCCC2)C1 ZINC000750983671 585223214 /nfs/dbraw/zinc/22/32/14/585223214.db2.gz KUBASQMBRNGRNN-QPJJXVBHSA-N 0 3 245.819 3.491 20 0 BGADHN CC(C)=C(C)C(=O)Nc1ccccc1CN(C)C ZINC000751351602 585226935 /nfs/dbraw/zinc/22/69/35/585226935.db2.gz MAWAOXQWDRJBAL-UHFFFAOYSA-N 0 3 246.354 3.043 20 0 BGADHN CC(C)=C(C)C(=O)Nc1cccc(CN(C)C)c1 ZINC000751352120 585227199 /nfs/dbraw/zinc/22/71/99/585227199.db2.gz QVLOBIYATQVEQW-UHFFFAOYSA-N 0 3 246.354 3.043 20 0 BGADHN CC(C)[C@H](CNCc1ccoc1)c1cccnc1 ZINC000751505760 585231553 /nfs/dbraw/zinc/23/15/53/585231553.db2.gz SMWLPIGCHRXJBO-HNNXBMFYSA-N 0 3 244.338 3.204 20 0 BGADHN CC(C)[C@@H](CNCc1ccoc1)c1cccnc1 ZINC000751505763 585231478 /nfs/dbraw/zinc/23/14/78/585231478.db2.gz SMWLPIGCHRXJBO-OAHLLOKOSA-N 0 3 244.338 3.204 20 0 BGADHN C[C@@H]1CCCN1Cn1ccc(-c2ccsc2)n1 ZINC000751924429 585239273 /nfs/dbraw/zinc/23/92/73/585239273.db2.gz KVZMJVPTHDLNNZ-LLVKDONJSA-N 0 3 247.367 3.053 20 0 BGADHN C[C@H]1CCCN1Cn1ccc(-c2ccsc2)n1 ZINC000751924432 585239267 /nfs/dbraw/zinc/23/92/67/585239267.db2.gz KVZMJVPTHDLNNZ-NSHDSACASA-N 0 3 247.367 3.053 20 0 BGADHN CS[C@H](C)CNCc1nccc2ccccc21 ZINC000752101204 585242498 /nfs/dbraw/zinc/24/24/98/585242498.db2.gz HNBJEGDQIFLCEW-LLVKDONJSA-N 0 3 246.379 3.076 20 0 BGADHN CS[C@@H](C)CNCc1nccc2ccccc21 ZINC000752101213 585242344 /nfs/dbraw/zinc/24/23/44/585242344.db2.gz HNBJEGDQIFLCEW-NSHDSACASA-N 0 3 246.379 3.076 20 0 BGADHN CCCCCCN(C)Cc1cccc(C)n1 ZINC000752297110 585244738 /nfs/dbraw/zinc/24/47/38/585244738.db2.gz PHICAGAKEWIIRM-UHFFFAOYSA-N 0 3 220.360 3.402 20 0 BGADHN Fc1cccc(CNC2CCC3(CC3)CC2)n1 ZINC000752926918 585251444 /nfs/dbraw/zinc/25/14/44/585251444.db2.gz RTVWDCJZZIQRQB-UHFFFAOYSA-N 0 3 234.318 3.033 20 0 BGADHN C[C@@H](N(C)C[C@@H]1CC1(Cl)Cl)C1(C)CC1 ZINC000753138933 585254186 /nfs/dbraw/zinc/25/41/86/585254186.db2.gz RDKIJCIXVGOECM-BDAKNGLRSA-N 0 3 236.186 3.301 20 0 BGADHN C[C@H](N(C)C[C@H]1CC1(Cl)Cl)C1(C)CC1 ZINC000753138934 585254075 /nfs/dbraw/zinc/25/40/75/585254075.db2.gz RDKIJCIXVGOECM-DTWKUNHWSA-N 0 3 236.186 3.301 20 0 BGADHN C[C@H](N(C)C[C@@H]1CC1(Cl)Cl)C1(C)CC1 ZINC000753138935 585254118 /nfs/dbraw/zinc/25/41/18/585254118.db2.gz RDKIJCIXVGOECM-IUCAKERBSA-N 0 3 236.186 3.301 20 0 BGADHN C[C@@H](N(C)C[C@H]1CC1(Cl)Cl)C1(C)CC1 ZINC000753138936 585254102 /nfs/dbraw/zinc/25/41/02/585254102.db2.gz RDKIJCIXVGOECM-RKDXNWHRSA-N 0 3 236.186 3.301 20 0 BGADHN CC1(c2ccccc2)CCN(CCF)CC1 ZINC000753202663 585255261 /nfs/dbraw/zinc/25/52/61/585255261.db2.gz DLTUNWXGZNIROU-UHFFFAOYSA-N 0 3 221.319 3.010 20 0 BGADHN C[C@H]1CN(Cc2ccoc2)CC(C)(C)C1 ZINC000753574135 585262260 /nfs/dbraw/zinc/26/22/60/585262260.db2.gz BCMFFEVVBSTGRK-LLVKDONJSA-N 0 3 207.317 3.148 20 0 BGADHN C[C@@H]1CN(Cc2ccoc2)CC(C)(C)C1 ZINC000753574138 585262339 /nfs/dbraw/zinc/26/23/39/585262339.db2.gz BCMFFEVVBSTGRK-NSHDSACASA-N 0 3 207.317 3.148 20 0 BGADHN CCC(=O)CCN(C)[C@H]1CCCc2ccccc21 ZINC000753684832 585266287 /nfs/dbraw/zinc/26/62/87/585266287.db2.gz IUTLDLMNSJLJCV-INIZCTEOSA-N 0 3 245.366 3.365 20 0 BGADHN CCC(=O)CCN(C)[C@@H]1CCCc2ccccc21 ZINC000753684834 585266346 /nfs/dbraw/zinc/26/63/46/585266346.db2.gz IUTLDLMNSJLJCV-MRXNPFEDSA-N 0 3 245.366 3.365 20 0 BGADHN CCC(=O)CCN(C)Cc1ccc(CC)cc1 ZINC000753697207 585266292 /nfs/dbraw/zinc/26/62/92/585266292.db2.gz NXZZCDBWDRJIJE-UHFFFAOYSA-N 0 3 233.355 3.050 20 0 BGADHN CCC(=O)CCN(Cc1cccs1)C(C)C ZINC000753704230 585266577 /nfs/dbraw/zinc/26/65/77/585266577.db2.gz BKOSRAMZHTWKRU-UHFFFAOYSA-N 0 3 239.384 3.328 20 0 BGADHN CCC(=O)CCN(Cc1ccccc1C)C1CC1 ZINC000753704313 585266836 /nfs/dbraw/zinc/26/68/36/585266836.db2.gz GLTZVCCKDMIAOD-UHFFFAOYSA-N 0 3 245.366 3.329 20 0 BGADHN CCC(=O)CCN(CC)Cc1ccc(C)cc1 ZINC000753706082 585266645 /nfs/dbraw/zinc/26/66/45/585266645.db2.gz SNTGQWRDGHSLGX-UHFFFAOYSA-N 0 3 233.355 3.186 20 0 BGADHN CCC(=O)CCN(CCc1ccccc1)C1CC1 ZINC000753706710 585266866 /nfs/dbraw/zinc/26/68/66/585266866.db2.gz ZKIXVAPCZNQTSY-UHFFFAOYSA-N 0 3 245.366 3.063 20 0 BGADHN CCC(=O)CCN1CCC(C2CCCC2)CC1 ZINC000753721609 585267294 /nfs/dbraw/zinc/26/72/94/585267294.db2.gz FQHRTCICVPUXKQ-UHFFFAOYSA-N 0 3 237.387 3.258 20 0 BGADHN CC(C)(C)C(=O)CCN1CC[C@@H](c2ccco2)C1 ZINC000753721787 585267041 /nfs/dbraw/zinc/26/70/41/585267041.db2.gz NISBAQQRESOTIU-GFCCVEGCSA-N 0 3 249.354 3.074 20 0 BGADHN CC(C)(C)C(=O)CCN1CC[C@H](c2ccco2)C1 ZINC000753721788 585267108 /nfs/dbraw/zinc/26/71/08/585267108.db2.gz NISBAQQRESOTIU-LBPRGKRZSA-N 0 3 249.354 3.074 20 0 BGADHN CCC(=O)CCN1CCc2ccccc2[C@@H]1CC ZINC000753723260 584905197 /nfs/dbraw/zinc/90/51/97/584905197.db2.gz FUTUZNRYAOKCFG-INIZCTEOSA-N 0 3 245.366 3.365 20 0 BGADHN CCC(=O)CCN1CCc2ccccc2[C@H]1CC ZINC000753723265 584905215 /nfs/dbraw/zinc/90/52/15/584905215.db2.gz FUTUZNRYAOKCFG-MRXNPFEDSA-N 0 3 245.366 3.365 20 0 BGADHN CCC(=O)CCN1CCC(CC(C)C)CC1 ZINC000753737122 585267347 /nfs/dbraw/zinc/26/73/47/585267347.db2.gz DTXQZFLANPKJLT-UHFFFAOYSA-N 0 3 225.376 3.114 20 0 BGADHN CC(C)(C)C(=O)CCN1CCC[C@@H]1c1ccc[nH]1 ZINC000753738823 585267350 /nfs/dbraw/zinc/26/73/50/585267350.db2.gz RSWCRJVJGVBLHW-CYBMUJFWSA-N 0 3 248.370 3.157 20 0 BGADHN CC(C)(C)C(=O)CCN1CCC[C@H]1c1ccc[nH]1 ZINC000753738827 584905725 /nfs/dbraw/zinc/90/57/25/584905725.db2.gz RSWCRJVJGVBLHW-ZDUSSCGKSA-N 0 3 248.370 3.157 20 0 BGADHN CCC(=O)CCN1CC=C(C(C)(C)C)CC1 ZINC000753748005 585267272 /nfs/dbraw/zinc/26/72/72/585267272.db2.gz VBJXANUBIIFGNC-UHFFFAOYSA-N 0 3 223.360 3.034 20 0 BGADHN CCC(=O)CCN1Cc2ccccc2C(C)(C)C1 ZINC000753748535 585268238 /nfs/dbraw/zinc/26/82/38/585268238.db2.gz WXUYRMUZYZZWND-UHFFFAOYSA-N 0 3 245.366 3.149 20 0 BGADHN CCC1CCC(N(C/C=C\Cl)CCO)CC1 ZINC000753816180 585270382 /nfs/dbraw/zinc/27/03/82/585270382.db2.gz RYALAFINJKLAPM-BAQGIRSFSA-N 0 3 245.794 3.002 20 0 BGADHN CCC1CCC(N(C/C=C/Cl)CCO)CC1 ZINC000753816184 585270302 /nfs/dbraw/zinc/27/03/02/585270302.db2.gz RYALAFINJKLAPM-FPYGCLRLSA-N 0 3 245.794 3.002 20 0 BGADHN CCCCCCN1CC(C)(C)OC[C@@H]1C ZINC000753834892 585270461 /nfs/dbraw/zinc/27/04/61/585270461.db2.gz XOAPXCYLUMFHSZ-LBPRGKRZSA-N 0 3 213.365 3.066 20 0 BGADHN CC(C)n1cc2c(n1)[C@@H](NC[C@H]1C[C@H]1C)CCC2 ZINC000754147362 584913848 /nfs/dbraw/zinc/91/38/48/584913848.db2.gz CPXRYSDTSZIRAH-BNOWGMLFSA-N 0 3 247.386 3.087 20 0 BGADHN CC(C)n1cc2c(n1)[C@H](NC[C@@H]1C[C@H]1C)CCC2 ZINC000754147365 584913945 /nfs/dbraw/zinc/91/39/45/584913945.db2.gz CPXRYSDTSZIRAH-KWCYVHTRSA-N 0 3 247.386 3.087 20 0 BGADHN CC(C)n1cc2c(n1)[C@H](NC[C@H]1C[C@H]1C)CCC2 ZINC000754147366 584913826 /nfs/dbraw/zinc/91/38/26/584913826.db2.gz CPXRYSDTSZIRAH-MRVWCRGKSA-N 0 3 247.386 3.087 20 0 BGADHN CC(C)n1cc2c(n1)[C@@H](NC[C@@H]1C[C@H]1C)CCC2 ZINC000754147368 584913936 /nfs/dbraw/zinc/91/39/36/584913936.db2.gz CPXRYSDTSZIRAH-XBFCOCLRSA-N 0 3 247.386 3.087 20 0 BGADHN Cc1cc(CN2CCSC[C@@H](C)C2)c(C)o1 ZINC000754156865 585279442 /nfs/dbraw/zinc/27/94/42/585279442.db2.gz WNISDCPCJZFGGL-JTQLQIEISA-N 0 3 239.384 3.081 20 0 BGADHN Cc1cc(CN2CCSC[C@H](C)C2)c(C)o1 ZINC000754156866 585279522 /nfs/dbraw/zinc/27/95/22/585279522.db2.gz WNISDCPCJZFGGL-SNVBAGLBSA-N 0 3 239.384 3.081 20 0 BGADHN CCCCNCc1cc(-c2ccccc2)on1 ZINC000754239631 585281002 /nfs/dbraw/zinc/28/10/02/585281002.db2.gz BEKGWKAXHIGXFF-UHFFFAOYSA-N 0 3 230.311 3.231 20 0 BGADHN CC(=O)CCN(C)C/C(C)=C/c1ccccc1 ZINC000755178967 585295937 /nfs/dbraw/zinc/29/59/37/585295937.db2.gz DXZPMEYDIVIBCE-ACCUITESSA-N 0 3 231.339 3.001 20 0 BGADHN CC(=O)CCN(C)C/C(C)=C\c1ccccc1 ZINC000755178972 585295755 /nfs/dbraw/zinc/29/57/55/585295755.db2.gz DXZPMEYDIVIBCE-QBFSEMIESA-N 0 3 231.339 3.001 20 0 BGADHN CCC(=O)CCN(C)C/C(C)=C\c1ccccc1 ZINC000755192632 585295985 /nfs/dbraw/zinc/29/59/85/585295985.db2.gz DCLYRAWYVFQRIS-OWBHPGMISA-N 0 3 245.366 3.391 20 0 BGADHN CCC(=O)CCN(C)C/C(C)=C/c1ccccc1 ZINC000755192633 585295776 /nfs/dbraw/zinc/29/57/76/585295776.db2.gz DCLYRAWYVFQRIS-WYMLVPIESA-N 0 3 245.366 3.391 20 0 BGADHN CCOc1ccc(CN2CCCCCCC2)nc1 ZINC000755879957 585308905 /nfs/dbraw/zinc/30/89/05/585308905.db2.gz KKUKNCOZENPSRC-UHFFFAOYSA-N 0 3 248.370 3.246 20 0 BGADHN CCCCOCCN1Cc2ccccc2[C@@H](C)C1 ZINC000755887657 585309354 /nfs/dbraw/zinc/30/93/54/585309354.db2.gz SWZXHAFAUNXDRE-AWEZNQCLSA-N 0 3 247.382 3.422 20 0 BGADHN CCCCOCCN1Cc2ccccc2[C@H](C)C1 ZINC000755887658 585309264 /nfs/dbraw/zinc/30/92/64/585309264.db2.gz SWZXHAFAUNXDRE-CQSZACIVSA-N 0 3 247.382 3.422 20 0 BGADHN COc1ccc2c(c1)nccc2NCCSC ZINC000755898818 585309936 /nfs/dbraw/zinc/30/99/36/585309936.db2.gz UZIKMAPRSGUQHI-UHFFFAOYSA-N 0 3 248.351 3.018 20 0 BGADHN CCOc1ccc(CN2C[C@H](C)CC2(C)C)nc1 ZINC000755968251 585311490 /nfs/dbraw/zinc/31/14/90/585311490.db2.gz ZQPJZOSOAPRVBD-GFCCVEGCSA-N 0 3 248.370 3.101 20 0 BGADHN CCOc1ccc(CN2C[C@@H](C)CC2(C)C)nc1 ZINC000755968253 585311624 /nfs/dbraw/zinc/31/16/24/585311624.db2.gz ZQPJZOSOAPRVBD-LBPRGKRZSA-N 0 3 248.370 3.101 20 0 BGADHN c1cc(CNCCC2Cc3ccccc3C2)co1 ZINC000756031688 585313357 /nfs/dbraw/zinc/31/33/57/585313357.db2.gz AEYBAVUQTMRSOU-UHFFFAOYSA-N 0 3 241.334 3.174 20 0 BGADHN C[C@]1(c2ccccc2)CCN(C/C=C/Cl)C1 ZINC000756055418 585313669 /nfs/dbraw/zinc/31/36/69/585313669.db2.gz APWZJXJOYFPQHI-KVEVGEHQSA-N 0 3 235.758 3.403 20 0 BGADHN C[C@]1(c2ccccc2)CCN(C/C=C\Cl)C1 ZINC000756055421 585313673 /nfs/dbraw/zinc/31/36/73/585313673.db2.gz APWZJXJOYFPQHI-UQYHUFHVSA-N 0 3 235.758 3.403 20 0 BGADHN C[C@@]1(c2ccccc2)CCN(C/C=C\Cl)C1 ZINC000756055422 585313813 /nfs/dbraw/zinc/31/38/13/585313813.db2.gz APWZJXJOYFPQHI-VYLZPFMQSA-N 0 3 235.758 3.403 20 0 BGADHN C[C@@]1(c2ccccc2)CCN(C/C=C/Cl)C1 ZINC000756055423 585313821 /nfs/dbraw/zinc/31/38/21/585313821.db2.gz APWZJXJOYFPQHI-VZUFXWRPSA-N 0 3 235.758 3.403 20 0 BGADHN Fc1ccc([C@@H]2CCN(C/C=C\Cl)C2)cc1 ZINC000756058229 585313741 /nfs/dbraw/zinc/31/37/41/585313741.db2.gz LQIRACMVWKAUHL-JZGNZGOOSA-N 0 3 239.721 3.368 20 0 BGADHN Fc1ccc([C@H]2CCN(C/C=C\Cl)C2)cc1 ZINC000756058231 585313731 /nfs/dbraw/zinc/31/37/31/585313731.db2.gz LQIRACMVWKAUHL-LTKKOGMMSA-N 0 3 239.721 3.368 20 0 BGADHN Fc1ccc([C@H]2CCN(C/C=C/Cl)C2)cc1 ZINC000756058233 585313904 /nfs/dbraw/zinc/31/39/04/585313904.db2.gz LQIRACMVWKAUHL-QLUOWFOFSA-N 0 3 239.721 3.368 20 0 BGADHN Fc1ccc([C@@H]2CCN(C/C=C/Cl)C2)cc1 ZINC000756058236 585313727 /nfs/dbraw/zinc/31/37/27/585313727.db2.gz LQIRACMVWKAUHL-VRFZCSFXSA-N 0 3 239.721 3.368 20 0 BGADHN CCCCC[C@@H](C)N[C@H](CC)c1ccn(C)n1 ZINC000756339706 585318089 /nfs/dbraw/zinc/31/80/89/585318089.db2.gz CDLUBDGIVQSVBP-CHWSQXEVSA-N 0 3 237.391 3.430 20 0 BGADHN CCCCC[C@@H](C)N[C@@H](CC)c1ccn(C)n1 ZINC000756339716 585317957 /nfs/dbraw/zinc/31/79/57/585317957.db2.gz CDLUBDGIVQSVBP-OLZOCXBDSA-N 0 3 237.391 3.430 20 0 BGADHN CCCCC[C@H](C)N[C@H](CC)c1ccn(C)n1 ZINC000756339718 585317915 /nfs/dbraw/zinc/31/79/15/585317915.db2.gz CDLUBDGIVQSVBP-QWHCGFSZSA-N 0 3 237.391 3.430 20 0 BGADHN CCCCC[C@H](C)N[C@@H](CC)c1ccn(C)n1 ZINC000756339720 585318040 /nfs/dbraw/zinc/31/80/40/585318040.db2.gz CDLUBDGIVQSVBP-STQMWFEESA-N 0 3 237.391 3.430 20 0 BGADHN Cc1ccccc1OCCN1CC=C(C)CC1 ZINC000756632545 585321840 /nfs/dbraw/zinc/32/18/40/585321840.db2.gz JWWINTLXRMLYSD-UHFFFAOYSA-N 0 3 231.339 3.026 20 0 BGADHN Cc1ccc(OCCN2CC=C(C)CC2)cc1 ZINC000756637011 585321825 /nfs/dbraw/zinc/32/18/25/585321825.db2.gz WBLOSFJVUSNSDY-UHFFFAOYSA-N 0 3 231.339 3.026 20 0 BGADHN CCC[C@H](NCCOC1CCC1)c1cccnc1 ZINC000756840242 585324049 /nfs/dbraw/zinc/32/40/49/585324049.db2.gz UWOXHUIJZFIFDZ-HNNXBMFYSA-N 0 3 248.370 3.082 20 0 BGADHN CCC[C@@H](NCCOC1CCC1)c1cccnc1 ZINC000756840245 585324038 /nfs/dbraw/zinc/32/40/38/585324038.db2.gz UWOXHUIJZFIFDZ-OAHLLOKOSA-N 0 3 248.370 3.082 20 0 BGADHN CC[C@H]1CCC[C@@H]1NCc1coc(C2CC2)n1 ZINC000756902213 585324942 /nfs/dbraw/zinc/32/49/42/585324942.db2.gz SAFGTEMISBAYHW-GWCFXTLKSA-N 0 3 234.343 3.220 20 0 BGADHN CC[C@H]1CCC[C@H]1NCc1coc(C2CC2)n1 ZINC000756902214 585324898 /nfs/dbraw/zinc/32/48/98/585324898.db2.gz SAFGTEMISBAYHW-GXFFZTMASA-N 0 3 234.343 3.220 20 0 BGADHN CC[C@@H]1CCC[C@@H]1NCc1coc(C2CC2)n1 ZINC000756902400 585324862 /nfs/dbraw/zinc/32/48/62/585324862.db2.gz SAFGTEMISBAYHW-MFKMUULPSA-N 0 3 234.343 3.220 20 0 BGADHN CC[C@@H]1CCC[C@H]1NCc1coc(C2CC2)n1 ZINC000756902402 585324854 /nfs/dbraw/zinc/32/48/54/585324854.db2.gz SAFGTEMISBAYHW-ZWNOBZJWSA-N 0 3 234.343 3.220 20 0 BGADHN COc1cc(C)nc(CN2CCCCCCC2)c1 ZINC000757076470 585327700 /nfs/dbraw/zinc/32/77/00/585327700.db2.gz PKPWNDMZYFEWFM-UHFFFAOYSA-N 0 3 248.370 3.165 20 0 BGADHN Fc1cccc2c1CCN([C@@H]1C=CCCC1)C2 ZINC000757140622 585329142 /nfs/dbraw/zinc/32/91/42/585329142.db2.gz AXUPVTHREBCYRM-CYBMUJFWSA-N 0 3 231.314 3.293 20 0 BGADHN Fc1cccc2c1CCN([C@H]1C=CCCC1)C2 ZINC000757140634 584891778 /nfs/dbraw/zinc/89/17/78/584891778.db2.gz AXUPVTHREBCYRM-ZDUSSCGKSA-N 0 3 231.314 3.293 20 0 BGADHN Fc1cccc2c1CCN(CC1CCCC1)C2 ZINC000757143115 585329559 /nfs/dbraw/zinc/32/95/59/585329559.db2.gz YXWNKSUEQWTUHU-UHFFFAOYSA-N 0 3 233.330 3.374 20 0 BGADHN CC(C)CCN1CCc2c(F)cccc2C1 ZINC000757146593 585329572 /nfs/dbraw/zinc/32/95/72/585329572.db2.gz UQVBTNLYFIVALC-UHFFFAOYSA-N 0 3 221.319 3.230 20 0 BGADHN Cc1cc(CN[C@@H]2C=CCC2)ccc1Cl ZINC000757147365 582531338 /nfs/dbraw/zinc/53/13/38/582531338.db2.gz BMAPYPMKQBFINS-GFCCVEGCSA-N 0 3 221.731 3.457 20 0 BGADHN Cc1cc(CN[C@H]2C=CCC2)ccc1Cl ZINC000757147389 582531555 /nfs/dbraw/zinc/53/15/55/582531555.db2.gz BMAPYPMKQBFINS-LBPRGKRZSA-N 0 3 221.731 3.457 20 0 BGADHN CCCCCN1CCc2c(F)cccc2C1 ZINC000757149976 585329331 /nfs/dbraw/zinc/32/93/31/585329331.db2.gz SDNPCOUTEMPIKC-UHFFFAOYSA-N 0 3 221.319 3.374 20 0 BGADHN CCCCCCN1C[C@@H](C)OC[C@H]1CC ZINC000757511710 585339761 /nfs/dbraw/zinc/33/97/61/585339761.db2.gz PORWURBFBVSXNW-CHWSQXEVSA-N 0 3 213.365 3.066 20 0 BGADHN CCCCCCN1C[C@@H](C)OC[C@@H]1CC ZINC000757511725 585339805 /nfs/dbraw/zinc/33/98/05/585339805.db2.gz PORWURBFBVSXNW-OLZOCXBDSA-N 0 3 213.365 3.066 20 0 BGADHN CCCCCCN1C[C@H](C)OC[C@H]1CC ZINC000757511726 585339841 /nfs/dbraw/zinc/33/98/41/585339841.db2.gz PORWURBFBVSXNW-QWHCGFSZSA-N 0 3 213.365 3.066 20 0 BGADHN CCCCCCN1C[C@H](C)OC[C@@H]1CC ZINC000757511729 585339707 /nfs/dbraw/zinc/33/97/07/585339707.db2.gz PORWURBFBVSXNW-STQMWFEESA-N 0 3 213.365 3.066 20 0 BGADHN ClC1(Cl)C[C@@H]1CN1CCC2(CCC2)C1 ZINC000759018154 585363713 /nfs/dbraw/zinc/36/37/13/585363713.db2.gz HPYUTEDTEJFGTH-SECBINFHSA-N 0 3 234.170 3.056 20 0 BGADHN ClC1(Cl)C[C@H]1CN1CCC2(CCC2)C1 ZINC000759018156 585363567 /nfs/dbraw/zinc/36/35/67/585363567.db2.gz HPYUTEDTEJFGTH-VIFPVBQESA-N 0 3 234.170 3.056 20 0 BGADHN Cc1cc(C)cc([C@@H](O)CN2CC[C@@H]2C(C)C)c1 ZINC000759068721 585363954 /nfs/dbraw/zinc/36/39/54/585363954.db2.gz FYIBHBSTTZYZLT-CVEARBPZSA-N 0 3 247.382 3.067 20 0 BGADHN Cc1cc(C)cc([C@@H](O)CN2CC[C@H]2C(C)C)c1 ZINC000759068723 585364007 /nfs/dbraw/zinc/36/40/07/585364007.db2.gz FYIBHBSTTZYZLT-HOTGVXAUSA-N 0 3 247.382 3.067 20 0 BGADHN Cc1cc(C)cc([C@H](O)CN2CC[C@@H]2C(C)C)c1 ZINC000759068725 585363827 /nfs/dbraw/zinc/36/38/27/585363827.db2.gz FYIBHBSTTZYZLT-HZPDHXFCSA-N 0 3 247.382 3.067 20 0 BGADHN Cc1cc(C)cc([C@H](O)CN2CC[C@H]2C(C)C)c1 ZINC000759068729 585363876 /nfs/dbraw/zinc/36/38/76/585363876.db2.gz FYIBHBSTTZYZLT-JKSUJKDBSA-N 0 3 247.382 3.067 20 0 BGADHN CC(C)CCN(CCF)CCC(C)C ZINC000759327718 585367395 /nfs/dbraw/zinc/36/73/95/585367395.db2.gz LNSAPNDTTIIZRE-UHFFFAOYSA-N 0 3 203.345 3.350 20 0 BGADHN Cc1ccccc1[C@H]1CCCN1CCF ZINC000759328389 585367607 /nfs/dbraw/zinc/36/76/07/585367607.db2.gz QZLQFPVIISQDCM-CYBMUJFWSA-N 0 3 207.292 3.101 20 0 BGADHN Cc1ccccc1[C@@H]1CCCN1CCF ZINC000759328390 585367400 /nfs/dbraw/zinc/36/74/00/585367400.db2.gz QZLQFPVIISQDCM-ZDUSSCGKSA-N 0 3 207.292 3.101 20 0 BGADHN CCC1CCC(N(CCF)C2CC2)CC1 ZINC000759328781 585367548 /nfs/dbraw/zinc/36/75/48/585367548.db2.gz SSCUHQLKUKFXLB-UHFFFAOYSA-N 0 3 213.340 3.389 20 0 BGADHN FCCN1CCC[C@H]1CCc1ccccc1 ZINC000759328860 585367313 /nfs/dbraw/zinc/36/73/13/585367313.db2.gz UAWJTPAQNBPUNL-AWEZNQCLSA-N 0 3 221.319 3.053 20 0 BGADHN FCCN1CCC[C@@H]1CCc1ccccc1 ZINC000759328869 585367417 /nfs/dbraw/zinc/36/74/17/585367417.db2.gz UAWJTPAQNBPUNL-CQSZACIVSA-N 0 3 221.319 3.053 20 0 BGADHN Cc1ccc([C@@H]2CCCN2CCF)cc1C ZINC000759330098 585367808 /nfs/dbraw/zinc/36/78/08/585367808.db2.gz CNHYAOBRDBKTAG-AWEZNQCLSA-N 0 3 221.319 3.410 20 0 BGADHN Cc1ccc([C@H]2CCCN2CCF)cc1C ZINC000759330099 585367802 /nfs/dbraw/zinc/36/78/02/585367802.db2.gz CNHYAOBRDBKTAG-CQSZACIVSA-N 0 3 221.319 3.410 20 0 BGADHN COc1cccc(CN(CCF)CC(C)C)c1 ZINC000759330144 585368140 /nfs/dbraw/zinc/36/81/40/585368140.db2.gz FDBQZMXTFLMDMD-UHFFFAOYSA-N 0 3 239.334 3.123 20 0 BGADHN CC(C)CN(CCF)CCc1ccccc1 ZINC000759330148 585367991 /nfs/dbraw/zinc/36/79/91/585367991.db2.gz FKSGGBCVAHNIHS-UHFFFAOYSA-N 0 3 223.335 3.157 20 0 BGADHN CN(CCF)C1CCC(C(C)(C)C)CC1 ZINC000759330272 585368067 /nfs/dbraw/zinc/36/80/67/585368067.db2.gz IRDHNAJWKYRHHA-UHFFFAOYSA-N 0 3 215.356 3.493 20 0 BGADHN CC[C@H](c1ccccc1)N(CC)CCF ZINC000759330340 585368018 /nfs/dbraw/zinc/36/80/18/585368018.db2.gz KGZSEZWZZMLQSK-CYBMUJFWSA-N 0 3 209.308 3.429 20 0 BGADHN CC[C@@H](c1ccccc1)N(CC)CCF ZINC000759330341 585367710 /nfs/dbraw/zinc/36/77/10/585367710.db2.gz KGZSEZWZZMLQSK-ZDUSSCGKSA-N 0 3 209.308 3.429 20 0 BGADHN CCCN(CCF)[C@H]1CCc2ccccc21 ZINC000759330484 585367910 /nfs/dbraw/zinc/36/79/10/585367910.db2.gz MKFRGASACCHYDA-AWEZNQCLSA-N 0 3 221.319 3.355 20 0 BGADHN CCCN(CCF)[C@@H]1CCc2ccccc21 ZINC000759330486 585367791 /nfs/dbraw/zinc/36/77/91/585367791.db2.gz MKFRGASACCHYDA-CQSZACIVSA-N 0 3 221.319 3.355 20 0 BGADHN Cc1cccc(CN(CCF)CC(C)C)c1 ZINC000759330513 585368129 /nfs/dbraw/zinc/36/81/29/585368129.db2.gz MQKMONFDRWJBOS-UHFFFAOYSA-N 0 3 223.335 3.423 20 0 BGADHN CC(C)CN(CCF)CCc1ccc(F)cc1 ZINC000759330890 585368093 /nfs/dbraw/zinc/36/80/93/585368093.db2.gz CUNIPMIAGNRDSA-UHFFFAOYSA-N 0 3 241.325 3.296 20 0 BGADHN CC[C@@H](C)N(CCF)Cc1ccccc1 ZINC000759331117 585367853 /nfs/dbraw/zinc/36/78/53/585367853.db2.gz AOSFUQKNYZBQSI-GFCCVEGCSA-N 0 3 209.308 3.257 20 0 BGADHN CC[C@H](C)N(CCF)Cc1ccccc1 ZINC000759331119 585367873 /nfs/dbraw/zinc/36/78/73/585367873.db2.gz AOSFUQKNYZBQSI-LBPRGKRZSA-N 0 3 209.308 3.257 20 0 BGADHN CC(C)CN(CCF)Cc1ccccc1 ZINC000759331394 585367190 /nfs/dbraw/zinc/36/71/90/585367190.db2.gz YLKUBXBWMCWSLR-UHFFFAOYSA-N 0 3 209.308 3.114 20 0 BGADHN FCCN(Cc1ccccc1)CC1CCC1 ZINC000759331460 585367904 /nfs/dbraw/zinc/36/79/04/585367904.db2.gz ZJHZJVNRNVHQRA-UHFFFAOYSA-N 0 3 221.319 3.258 20 0 BGADHN FCCN1CCC(CCc2ccccc2)CC1 ZINC000759331893 585368126 /nfs/dbraw/zinc/36/81/26/585368126.db2.gz HDQPEVRZSPMVOM-UHFFFAOYSA-N 0 3 235.346 3.301 20 0 BGADHN Cc1ccc(C[C@@H]2CCCN(CCF)C2)cc1 ZINC000759333011 585368243 /nfs/dbraw/zinc/36/82/43/585368243.db2.gz PPXCMJSQMNZXFS-HNNXBMFYSA-N 0 3 235.346 3.219 20 0 BGADHN Cc1ccc(C[C@H]2CCCN(CCF)C2)cc1 ZINC000759333013 585368345 /nfs/dbraw/zinc/36/83/45/585368345.db2.gz PPXCMJSQMNZXFS-OAHLLOKOSA-N 0 3 235.346 3.219 20 0 BGADHN FCCN1CCC[C@@H]1CC1CCCCC1 ZINC000759334395 585368415 /nfs/dbraw/zinc/36/84/15/585368415.db2.gz XILURAOIGRVTFE-CYBMUJFWSA-N 0 3 213.340 3.391 20 0 BGADHN FCCN1CCC[C@H]1CC1CCCCC1 ZINC000759334397 585368440 /nfs/dbraw/zinc/36/84/40/585368440.db2.gz XILURAOIGRVTFE-ZDUSSCGKSA-N 0 3 213.340 3.391 20 0 BGADHN FCCN1CCC(Cc2ccc(F)cc2)CC1 ZINC000759340537 585368899 /nfs/dbraw/zinc/36/88/99/585368899.db2.gz VFKZMNPOFIOZKW-UHFFFAOYSA-N 0 3 239.309 3.050 20 0 BGADHN FCCN1CCC[C@H](c2ccccc2)CC1 ZINC000759340811 585369074 /nfs/dbraw/zinc/36/90/74/585369074.db2.gz YKCVCLPHNUPHNO-AWEZNQCLSA-N 0 3 221.319 3.226 20 0 BGADHN FCCN1CCC[C@@H](c2ccccc2)CC1 ZINC000759340812 585369238 /nfs/dbraw/zinc/36/92/38/585369238.db2.gz YKCVCLPHNUPHNO-CQSZACIVSA-N 0 3 221.319 3.226 20 0 BGADHN CC(C)(C)[C@@H]1CCCN(CCF)CC1 ZINC000759341054 585369008 /nfs/dbraw/zinc/36/90/08/585369008.db2.gz AWHBWZWXZQEXJV-LLVKDONJSA-N 0 3 201.329 3.104 20 0 BGADHN CC(C)(C)[C@H]1CCCN(CCF)CC1 ZINC000759341055 585369207 /nfs/dbraw/zinc/36/92/07/585369207.db2.gz AWHBWZWXZQEXJV-NSHDSACASA-N 0 3 201.329 3.104 20 0 BGADHN CCCN(CCF)CCc1cccc(F)c1 ZINC000759341618 585369108 /nfs/dbraw/zinc/36/91/08/585369108.db2.gz JDNNZJWVCBNFOQ-UHFFFAOYSA-N 0 3 227.298 3.050 20 0 BGADHN C[C@@H](Cc1ccc(Cl)cc1)N(C)CCF ZINC000759342228 585368978 /nfs/dbraw/zinc/36/89/78/585368978.db2.gz FZCBOCUINZDJIL-JTQLQIEISA-N 0 3 229.726 3.172 20 0 BGADHN C[C@H](Cc1ccc(Cl)cc1)N(C)CCF ZINC000759342233 585369158 /nfs/dbraw/zinc/36/91/58/585369158.db2.gz FZCBOCUINZDJIL-SNVBAGLBSA-N 0 3 229.726 3.172 20 0 BGADHN C[C@H]1CN(CCF)CC[C@H]1c1ccccc1 ZINC000759342320 585369114 /nfs/dbraw/zinc/36/91/14/585369114.db2.gz HMBAEUNAGBXJSY-GXTWGEPZSA-N 0 3 221.319 3.082 20 0 BGADHN C[C@H]1CN(CCF)CC[C@@H]1c1ccccc1 ZINC000759342321 585369164 /nfs/dbraw/zinc/36/91/64/585369164.db2.gz HMBAEUNAGBXJSY-JSGCOSHPSA-N 0 3 221.319 3.082 20 0 BGADHN C[C@@H]1CN(CCF)CC[C@@H]1c1ccccc1 ZINC000759342322 585369329 /nfs/dbraw/zinc/36/93/29/585369329.db2.gz HMBAEUNAGBXJSY-OCCSQVGLSA-N 0 3 221.319 3.082 20 0 BGADHN C[C@@H]1CN(CCF)CC[C@H]1c1ccccc1 ZINC000759342323 585369056 /nfs/dbraw/zinc/36/90/56/585369056.db2.gz HMBAEUNAGBXJSY-TZMCWYRMSA-N 0 3 221.319 3.082 20 0 BGADHN Cc1ccccc1[C@@H]1C[C@@H](C)N(CCF)C1 ZINC000759342330 585368940 /nfs/dbraw/zinc/36/89/40/585368940.db2.gz HUYTWDZLXHMCKN-CHWSQXEVSA-N 0 3 221.319 3.142 20 0 BGADHN Cc1ccccc1[C@H]1C[C@@H](C)N(CCF)C1 ZINC000759342332 585369286 /nfs/dbraw/zinc/36/92/86/585369286.db2.gz HUYTWDZLXHMCKN-OLZOCXBDSA-N 0 3 221.319 3.142 20 0 BGADHN Cc1ccccc1[C@@H]1C[C@H](C)N(CCF)C1 ZINC000759342333 585368945 /nfs/dbraw/zinc/36/89/45/585368945.db2.gz HUYTWDZLXHMCKN-QWHCGFSZSA-N 0 3 221.319 3.142 20 0 BGADHN Cc1ccccc1[C@H]1C[C@H](C)N(CCF)C1 ZINC000759342334 585368908 /nfs/dbraw/zinc/36/89/08/585368908.db2.gz HUYTWDZLXHMCKN-STQMWFEESA-N 0 3 221.319 3.142 20 0 BGADHN CCCN(CCF)Cc1ccc(C)cc1 ZINC000759343206 585369690 /nfs/dbraw/zinc/36/96/90/585369690.db2.gz RRNJCUNWQFFEAU-UHFFFAOYSA-N 0 3 209.308 3.177 20 0 BGADHN Cc1cccc([C@@H]2CCCN2CCF)c1C ZINC000759343279 585369582 /nfs/dbraw/zinc/36/95/82/585369582.db2.gz NJOFQWSTRZHIQI-AWEZNQCLSA-N 0 3 221.319 3.410 20 0 BGADHN Cc1cccc([C@H]2CCCN2CCF)c1C ZINC000759343280 585369740 /nfs/dbraw/zinc/36/97/40/585369740.db2.gz NJOFQWSTRZHIQI-CQSZACIVSA-N 0 3 221.319 3.410 20 0 BGADHN CC(C)[C@H](c1ccccc1)N(C)CCF ZINC000759344524 585369639 /nfs/dbraw/zinc/36/96/39/585369639.db2.gz ZJETYLWCQMCZAW-CYBMUJFWSA-N 0 3 209.308 3.285 20 0 BGADHN CC(C)[C@@H](c1ccccc1)N(C)CCF ZINC000759344526 585369762 /nfs/dbraw/zinc/36/97/62/585369762.db2.gz ZJETYLWCQMCZAW-ZDUSSCGKSA-N 0 3 209.308 3.285 20 0 BGADHN CC(C)[C@H](Cc1ccc(F)cc1)N(C)CCF ZINC000759345507 585370290 /nfs/dbraw/zinc/37/02/90/585370290.db2.gz GTMZDCOXVYVHSD-AWEZNQCLSA-N 0 3 241.325 3.294 20 0 BGADHN CC(C)[C@@H](Cc1ccc(F)cc1)N(C)CCF ZINC000759345511 585370057 /nfs/dbraw/zinc/37/00/57/585370057.db2.gz GTMZDCOXVYVHSD-CQSZACIVSA-N 0 3 241.325 3.294 20 0 BGADHN FCCN1CCCC2(C1)CCCCCC2 ZINC000759345607 585370229 /nfs/dbraw/zinc/37/02/29/585370229.db2.gz HBLBUTKBSGCJLM-UHFFFAOYSA-N 0 3 213.340 3.392 20 0 BGADHN FCCN1CC[C@@H](CSc2ccccc2)C1 ZINC000759345881 585370363 /nfs/dbraw/zinc/37/03/63/585370363.db2.gz ISVNVMBXDBPBIR-GFCCVEGCSA-N 0 3 239.359 3.070 20 0 BGADHN FCCN1CC[C@H](CSc2ccccc2)C1 ZINC000759345889 585370293 /nfs/dbraw/zinc/37/02/93/585370293.db2.gz ISVNVMBXDBPBIR-LBPRGKRZSA-N 0 3 239.359 3.070 20 0 BGADHN C[C@]1(CCc2ccccc2)CCN(CCF)C1 ZINC000759346430 585370260 /nfs/dbraw/zinc/37/02/60/585370260.db2.gz OHQQSAGUFOSEMT-HNNXBMFYSA-N 0 3 235.346 3.301 20 0 BGADHN C[C@@]1(CCc2ccccc2)CCN(CCF)C1 ZINC000759346432 585369963 /nfs/dbraw/zinc/36/99/63/585369963.db2.gz OHQQSAGUFOSEMT-OAHLLOKOSA-N 0 3 235.346 3.301 20 0 BGADHN CCO[C@@H]1C[C@@H](N(C)CCF)C12CCCCC2 ZINC000759346476 585370035 /nfs/dbraw/zinc/37/00/35/585370035.db2.gz XWQKUTFXCPYASZ-CHWSQXEVSA-N 0 3 243.366 3.016 20 0 BGADHN CCO[C@H]1C[C@@H](N(C)CCF)C12CCCCC2 ZINC000759346477 585370184 /nfs/dbraw/zinc/37/01/84/585370184.db2.gz XWQKUTFXCPYASZ-OLZOCXBDSA-N 0 3 243.366 3.016 20 0 BGADHN CCO[C@@H]1C[C@H](N(C)CCF)C12CCCCC2 ZINC000759346478 585370151 /nfs/dbraw/zinc/37/01/51/585370151.db2.gz XWQKUTFXCPYASZ-QWHCGFSZSA-N 0 3 243.366 3.016 20 0 BGADHN CCO[C@H]1C[C@H](N(C)CCF)C12CCCCC2 ZINC000759346479 585370382 /nfs/dbraw/zinc/37/03/82/585370382.db2.gz XWQKUTFXCPYASZ-STQMWFEESA-N 0 3 243.366 3.016 20 0 BGADHN CC[C@@H](Cc1ccc(C)cc1)N(C)CCF ZINC000759347004 585370112 /nfs/dbraw/zinc/37/01/12/585370112.db2.gz LWJDPNIRIKXZOS-AWEZNQCLSA-N 0 3 223.335 3.217 20 0 BGADHN CC[C@H](Cc1ccc(C)cc1)N(C)CCF ZINC000759347008 585370177 /nfs/dbraw/zinc/37/01/77/585370177.db2.gz LWJDPNIRIKXZOS-CQSZACIVSA-N 0 3 223.335 3.217 20 0 BGADHN CC[C@H]1CN(CCF)CC[C@H]1c1ccccc1 ZINC000759348611 585370710 /nfs/dbraw/zinc/37/07/10/585370710.db2.gz YVLRXVBBTDBWLB-DZGCQCFKSA-N 0 3 235.346 3.472 20 0 BGADHN CC[C@@H]1CN(CCF)CC[C@@H]1c1ccccc1 ZINC000759348612 585370392 /nfs/dbraw/zinc/37/03/92/585370392.db2.gz YVLRXVBBTDBWLB-HIFRSBDPSA-N 0 3 235.346 3.472 20 0 BGADHN CC[C@@H]1CN(CCF)CC[C@H]1c1ccccc1 ZINC000759348613 585370658 /nfs/dbraw/zinc/37/06/58/585370658.db2.gz YVLRXVBBTDBWLB-UKRRQHHQSA-N 0 3 235.346 3.472 20 0 BGADHN CC[C@H]1CN(CCF)CC[C@@H]1c1ccccc1 ZINC000759348614 585370471 /nfs/dbraw/zinc/37/04/71/585370471.db2.gz YVLRXVBBTDBWLB-ZFWWWQNUSA-N 0 3 235.346 3.472 20 0 BGADHN FCCN1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000759355150 585370853 /nfs/dbraw/zinc/37/08/53/585370853.db2.gz XTQJOYRLLYWQQQ-INIZCTEOSA-N 0 3 247.357 3.326 20 0 BGADHN FCCN1CCC[C@]2(CCCc3ccccc32)C1 ZINC000759355152 585371055 /nfs/dbraw/zinc/37/10/55/585371055.db2.gz XTQJOYRLLYWQQQ-MRXNPFEDSA-N 0 3 247.357 3.326 20 0 BGADHN CC[C@@H](Cc1ccccc1)N(CC)CCF ZINC000759412365 585372390 /nfs/dbraw/zinc/37/23/90/585372390.db2.gz IRBYEXRZCKXLMQ-AWEZNQCLSA-N 0 3 223.335 3.299 20 0 BGADHN CC[C@H](Cc1ccccc1)N(CC)CCF ZINC000759412366 585372361 /nfs/dbraw/zinc/37/23/61/585372361.db2.gz IRBYEXRZCKXLMQ-CQSZACIVSA-N 0 3 223.335 3.299 20 0 BGADHN CCCCCCN1CCO[C@H](CCC)C1 ZINC000759415269 585372275 /nfs/dbraw/zinc/37/22/75/585372275.db2.gz JJRCNPYKPLCETM-CYBMUJFWSA-N 0 3 213.365 3.068 20 0 BGADHN CCCCCCN1CCO[C@@H](CCC)C1 ZINC000759415270 585372285 /nfs/dbraw/zinc/37/22/85/585372285.db2.gz JJRCNPYKPLCETM-ZDUSSCGKSA-N 0 3 213.365 3.068 20 0 BGADHN CC(C)C[C@@H]1CCCN(C/C=C/Cl)C1 ZINC000759470359 585373771 /nfs/dbraw/zinc/37/37/71/585373771.db2.gz VXBJCAYMBAABCO-FUEXJSSKSA-N 0 3 215.768 3.497 20 0 BGADHN CC(C)C[C@H]1CCCN(C/C=C/Cl)C1 ZINC000759470360 585373806 /nfs/dbraw/zinc/37/38/06/585373806.db2.gz VXBJCAYMBAABCO-FVOPLDGLSA-N 0 3 215.768 3.497 20 0 BGADHN CC(C)C[C@@H]1CCCN(C/C=C\Cl)C1 ZINC000759470361 585373762 /nfs/dbraw/zinc/37/37/62/585373762.db2.gz VXBJCAYMBAABCO-RNZFLTOJSA-N 0 3 215.768 3.497 20 0 BGADHN CC(C)C[C@H]1CCCN(C/C=C\Cl)C1 ZINC000759470362 585373622 /nfs/dbraw/zinc/37/36/22/585373622.db2.gz VXBJCAYMBAABCO-TXNVCOODSA-N 0 3 215.768 3.497 20 0 BGADHN CN(Cc1nc2ccccc2o1)C[Si](C)(C)C ZINC000759609717 584906934 /nfs/dbraw/zinc/90/69/34/584906934.db2.gz RSCZRYVLOSLXOR-UHFFFAOYSA-N 0 3 248.402 3.137 20 0 BGADHN Cc1ccc(C)c(CN(C)CCC(=O)C2CC2)c1 ZINC000759642948 585377780 /nfs/dbraw/zinc/37/77/80/585377780.db2.gz HGAIKSIZSAMCJX-UHFFFAOYSA-N 0 3 245.366 3.104 20 0 BGADHN CCC(=O)CCN(C)Cc1cc(C)ccc1C ZINC000759644660 585377674 /nfs/dbraw/zinc/37/76/74/585377674.db2.gz OKXFEXCWVACMOC-UHFFFAOYSA-N 0 3 233.355 3.104 20 0 BGADHN CC(C)CCC1CCN(CCF)CC1 ZINC000759767475 585379953 /nfs/dbraw/zinc/37/99/53/585379953.db2.gz HMMKEPFDBRUOCQ-UHFFFAOYSA-N 0 3 201.329 3.104 20 0 BGADHN Cc1ccc2c(c1)CC[C@H]2NC1CC(F)(F)C1 ZINC000760040647 584907189 /nfs/dbraw/zinc/90/71/89/584907189.db2.gz UJLDBNUSQKEUFY-CYBMUJFWSA-N 0 3 237.293 3.370 20 0 BGADHN Cc1ccc2c(c1)CC[C@@H]2NC1CC(F)(F)C1 ZINC000760040649 584907174 /nfs/dbraw/zinc/90/71/74/584907174.db2.gz UJLDBNUSQKEUFY-ZDUSSCGKSA-N 0 3 237.293 3.370 20 0 BGADHN C[C@@H](N[C@H]1CCc2c1cccc2F)c1ccc[nH]1 ZINC000760243458 585387278 /nfs/dbraw/zinc/38/72/78/585387278.db2.gz NZVYEHKEMUSNJB-BMIGLBTASA-N 0 3 244.313 3.492 20 0 BGADHN C[C@H](N[C@H]1CCc2c1cccc2F)c1ccc[nH]1 ZINC000760243466 585387309 /nfs/dbraw/zinc/38/73/09/585387309.db2.gz NZVYEHKEMUSNJB-BONVTDFDSA-N 0 3 244.313 3.492 20 0 BGADHN C[C@@H](N[C@@H]1CCc2c1cccc2F)c1ccc[nH]1 ZINC000760243471 585387218 /nfs/dbraw/zinc/38/72/18/585387218.db2.gz NZVYEHKEMUSNJB-MEBBXXQBSA-N 0 3 244.313 3.492 20 0 BGADHN C[C@H](N[C@@H]1CCc2c1cccc2F)c1ccc[nH]1 ZINC000760243475 585387206 /nfs/dbraw/zinc/38/72/06/585387206.db2.gz NZVYEHKEMUSNJB-ZUZCIYMTSA-N 0 3 244.313 3.492 20 0 BGADHN C[C@@H](N[C@H]1CCc2ccc(F)cc21)c1ccc[nH]1 ZINC000760251120 585387638 /nfs/dbraw/zinc/38/76/38/585387638.db2.gz UUVIJOAZZVMWJF-BMIGLBTASA-N 0 3 244.313 3.492 20 0 BGADHN C[C@H](N[C@H]1CCc2ccc(F)cc21)c1ccc[nH]1 ZINC000760251121 585387667 /nfs/dbraw/zinc/38/76/67/585387667.db2.gz UUVIJOAZZVMWJF-BONVTDFDSA-N 0 3 244.313 3.492 20 0 BGADHN C[C@@H](N[C@@H]1CCc2ccc(F)cc21)c1ccc[nH]1 ZINC000760251122 585387694 /nfs/dbraw/zinc/38/76/94/585387694.db2.gz UUVIJOAZZVMWJF-MEBBXXQBSA-N 0 3 244.313 3.492 20 0 BGADHN C[C@H](N[C@@H]1CCc2ccc(F)cc21)c1ccc[nH]1 ZINC000760251123 585387698 /nfs/dbraw/zinc/38/76/98/585387698.db2.gz UUVIJOAZZVMWJF-ZUZCIYMTSA-N 0 3 244.313 3.492 20 0 BGADHN C[C@@H](Nc1ccnc2ccccc21)c1ccc[nH]1 ZINC000760272462 585388346 /nfs/dbraw/zinc/38/83/46/585388346.db2.gz LDHLNLNZGXAMTA-LLVKDONJSA-N 0 3 237.306 3.158 20 0 BGADHN C[C@H](Nc1ccnc2ccccc21)c1ccc[nH]1 ZINC000760272463 585388365 /nfs/dbraw/zinc/38/83/65/585388365.db2.gz LDHLNLNZGXAMTA-NSHDSACASA-N 0 3 237.306 3.158 20 0 BGADHN C[C@@H](NCc1cccc2[nH]ccc21)c1ccc[nH]1 ZINC000760444744 585392614 /nfs/dbraw/zinc/39/26/14/585392614.db2.gz GAHZUODYVLSVQG-LLVKDONJSA-N 0 3 239.322 3.347 20 0 BGADHN C[C@H](NCc1cccc2[nH]ccc21)c1ccc[nH]1 ZINC000760444745 584907850 /nfs/dbraw/zinc/90/78/50/584907850.db2.gz GAHZUODYVLSVQG-NSHDSACASA-N 0 3 239.322 3.347 20 0 BGADHN C[C@@H](NCc1cccc2cc[nH]c21)c1ccc[nH]1 ZINC000760445300 585392631 /nfs/dbraw/zinc/39/26/31/585392631.db2.gz MIEZQENTHRJGOZ-LLVKDONJSA-N 0 3 239.322 3.347 20 0 BGADHN C[C@H](NCc1cccc2cc[nH]c21)c1ccc[nH]1 ZINC000760445301 585392500 /nfs/dbraw/zinc/39/25/00/585392500.db2.gz MIEZQENTHRJGOZ-NSHDSACASA-N 0 3 239.322 3.347 20 0 BGADHN CCc1ccc(CNCCNc2ccccc2)o1 ZINC000760688370 585395503 /nfs/dbraw/zinc/39/55/03/585395503.db2.gz KWDZMYGALXRNIR-UHFFFAOYSA-N 0 3 244.338 3.044 20 0 BGADHN CCCCN1CC(Cc2ccc(F)c(F)c2)C1 ZINC000760902156 585401338 /nfs/dbraw/zinc/40/13/38/585401338.db2.gz ORBPYPZFTGIOTK-UHFFFAOYSA-N 0 3 239.309 3.239 20 0 BGADHN CC(C)CC1CCN(CCc2ccccn2)CC1 ZINC000760923571 585401881 /nfs/dbraw/zinc/40/18/81/585401881.db2.gz LOJDZLVFKTWQKF-UHFFFAOYSA-N 0 3 246.398 3.382 20 0 BGADHN CC(C)CC[C@H]1CCCCN1CCF ZINC000760957896 585402624 /nfs/dbraw/zinc/40/26/24/585402624.db2.gz AQISNQKZOGQGCW-GFCCVEGCSA-N 0 3 201.329 3.247 20 0 BGADHN CC(C)CC[C@@H]1CCCCN1CCF ZINC000760957915 585402657 /nfs/dbraw/zinc/40/26/57/585402657.db2.gz AQISNQKZOGQGCW-LBPRGKRZSA-N 0 3 201.329 3.247 20 0 BGADHN CC(C)CC1CCN(C/C=C\Cl)CC1 ZINC000760964578 585402681 /nfs/dbraw/zinc/40/26/81/585402681.db2.gz KLEHIHDEWFWWAK-UTCJRWHESA-N 0 3 215.768 3.497 20 0 BGADHN CC(C)CC1CCN(C/C=C/Cl)CC1 ZINC000760964579 585402866 /nfs/dbraw/zinc/40/28/66/585402866.db2.gz KLEHIHDEWFWWAK-ZZXKWVIFSA-N 0 3 215.768 3.497 20 0 BGADHN Cc1cccc(CN2CC[C@@H](C(F)(F)F)C2)c1 ZINC000761039121 585403710 /nfs/dbraw/zinc/40/37/10/585403710.db2.gz CXVRQWNTEHQUKT-GFCCVEGCSA-N 0 3 243.272 3.379 20 0 BGADHN Cc1cccc(CN2CC[C@H](C(F)(F)F)C2)c1 ZINC000761039125 585403797 /nfs/dbraw/zinc/40/37/97/585403797.db2.gz CXVRQWNTEHQUKT-LBPRGKRZSA-N 0 3 243.272 3.379 20 0 BGADHN CCCCCCN1CC[C@H](C(F)(F)F)C1 ZINC000761042287 585403950 /nfs/dbraw/zinc/40/39/50/585403950.db2.gz PPJITRGMTPEBRS-JTQLQIEISA-N 0 3 223.282 3.451 20 0 BGADHN CCCCCCN1CC[C@@H](C(F)(F)F)C1 ZINC000761042288 585404157 /nfs/dbraw/zinc/40/41/57/585404157.db2.gz PPJITRGMTPEBRS-SNVBAGLBSA-N 0 3 223.282 3.451 20 0 BGADHN Cc1ccccc1CN1CC[C@@H](C(F)(F)F)C1 ZINC000761044797 585404234 /nfs/dbraw/zinc/40/42/34/585404234.db2.gz MNJVCAAQLCAFGF-GFCCVEGCSA-N 0 3 243.272 3.379 20 0 BGADHN Cc1ccccc1CN1CC[C@H](C(F)(F)F)C1 ZINC000761044798 585403880 /nfs/dbraw/zinc/40/38/80/585403880.db2.gz MNJVCAAQLCAFGF-LBPRGKRZSA-N 0 3 243.272 3.379 20 0 BGADHN FC(F)(F)[C@@H]1CCN(CCc2cccs2)C1 ZINC000761047534 585404243 /nfs/dbraw/zinc/40/42/43/585404243.db2.gz VQHDHHHACPIPSV-SECBINFHSA-N 0 3 249.301 3.175 20 0 BGADHN FC(F)(F)[C@H]1CCN(CCc2cccs2)C1 ZINC000761047535 585403901 /nfs/dbraw/zinc/40/39/01/585403901.db2.gz VQHDHHHACPIPSV-VIFPVBQESA-N 0 3 249.301 3.175 20 0 BGADHN Fc1cccc(OCCN2CCC3(CC3)CC2)c1 ZINC000761062719 585404822 /nfs/dbraw/zinc/40/48/22/585404822.db2.gz NOSFBPYYWBLKQS-UHFFFAOYSA-N 0 3 249.329 3.081 20 0 BGADHN Cc1ccc(SCCN2CC[C@H]3C[C@H]32)cc1C ZINC000761081331 585407161 /nfs/dbraw/zinc/40/71/61/585407161.db2.gz GAAFJJYWNHQXPB-DZGCQCFKSA-N 0 3 247.407 3.490 20 0 BGADHN Cc1ccc(SCCN2CC[C@@H]3C[C@@H]32)cc1C ZINC000761081333 585407206 /nfs/dbraw/zinc/40/72/06/585407206.db2.gz GAAFJJYWNHQXPB-HIFRSBDPSA-N 0 3 247.407 3.490 20 0 BGADHN CC(C)Oc1ccccc1CN1CC[C@H]2C[C@H]21 ZINC000761084610 585407225 /nfs/dbraw/zinc/40/72/25/585407225.db2.gz AOKJIKHLQHBRBQ-GXTWGEPZSA-N 0 3 231.339 3.068 20 0 BGADHN CC(C)Oc1ccccc1CN1CC[C@@H]2C[C@@H]21 ZINC000761084625 585407038 /nfs/dbraw/zinc/40/70/38/585407038.db2.gz AOKJIKHLQHBRBQ-OCCSQVGLSA-N 0 3 231.339 3.068 20 0 BGADHN Fc1ccc(SCCN2CC[C@H]3C[C@H]32)cc1 ZINC000761084840 585407415 /nfs/dbraw/zinc/40/74/15/585407415.db2.gz BAPHYCCCIABZPO-GXFFZTMASA-N 0 3 237.343 3.012 20 0 BGADHN Fc1ccc(SCCN2CC[C@@H]3C[C@@H]32)cc1 ZINC000761084843 585407470 /nfs/dbraw/zinc/40/74/70/585407470.db2.gz BAPHYCCCIABZPO-MFKMUULPSA-N 0 3 237.343 3.012 20 0 BGADHN CC[C@H](c1ccc(F)cc1)N1CC[C@@H]2C[C@@H]21 ZINC000761086187 585407479 /nfs/dbraw/zinc/40/74/79/585407479.db2.gz BVMGBAUOFDPFIV-BNOWGMLFSA-N 0 3 219.303 3.371 20 0 BGADHN CC[C@H](c1ccc(F)cc1)N1CC[C@H]2C[C@H]21 ZINC000761086188 585407527 /nfs/dbraw/zinc/40/75/27/585407527.db2.gz BVMGBAUOFDPFIV-IACUBPJLSA-N 0 3 219.303 3.371 20 0 BGADHN C[C@H](c1cccc(Cl)c1)N1CC[C@H]2C[C@H]21 ZINC000761086361 585407427 /nfs/dbraw/zinc/40/74/27/585407427.db2.gz NSPHUSYOJXLZPY-SUZMYJTESA-N 0 3 221.731 3.495 20 0 BGADHN C[C@H](c1cccc(Cl)c1)N1CC[C@@H]2C[C@@H]21 ZINC000761086362 585407497 /nfs/dbraw/zinc/40/74/97/585407497.db2.gz NSPHUSYOJXLZPY-XWIASGKRSA-N 0 3 221.731 3.495 20 0 BGADHN FC(F)(F)c1ccc(CN2CC[C@H]3C[C@H]32)cc1 ZINC000761086754 585407412 /nfs/dbraw/zinc/40/74/12/585407412.db2.gz DZCYVGTUBDGPSM-CMPLNLGQSA-N 0 3 241.256 3.300 20 0 BGADHN FC(F)(F)c1ccc(CN2CC[C@@H]3C[C@@H]32)cc1 ZINC000761086762 585407346 /nfs/dbraw/zinc/40/73/46/585407346.db2.gz DZCYVGTUBDGPSM-PWSUYJOCSA-N 0 3 241.256 3.300 20 0 BGADHN c1c2ccccc2oc1CN1CC[C@H]2C[C@H]21 ZINC000761087806 585407744 /nfs/dbraw/zinc/40/77/44/585407744.db2.gz CRZAOYUKPJYAEP-GXFFZTMASA-N 0 3 213.280 3.027 20 0 BGADHN c1c2ccccc2oc1CN1CC[C@@H]2C[C@@H]21 ZINC000761087815 584909182 /nfs/dbraw/zinc/90/91/82/584909182.db2.gz CRZAOYUKPJYAEP-MFKMUULPSA-N 0 3 213.280 3.027 20 0 BGADHN CSc1ccc(CN2CC[C@H]3C[C@H]32)cc1 ZINC000761088286 585407728 /nfs/dbraw/zinc/40/77/28/585407728.db2.gz FWAOKNICUOZMEF-WCQYABFASA-N 0 3 219.353 3.003 20 0 BGADHN CSc1ccc(CN2CC[C@@H]3C[C@@H]32)cc1 ZINC000761088287 585407833 /nfs/dbraw/zinc/40/78/33/585407833.db2.gz FWAOKNICUOZMEF-YPMHNXCESA-N 0 3 219.353 3.003 20 0 BGADHN Fc1ccccc1SCCN1CC[C@H]2C[C@H]21 ZINC000761088947 585407731 /nfs/dbraw/zinc/40/77/31/585407731.db2.gz RBQNJHIOUKZTDP-CMPLNLGQSA-N 0 3 237.343 3.012 20 0 BGADHN Fc1ccccc1SCCN1CC[C@@H]2C[C@@H]21 ZINC000761088952 585407677 /nfs/dbraw/zinc/40/76/77/585407677.db2.gz RBQNJHIOUKZTDP-PWSUYJOCSA-N 0 3 237.343 3.012 20 0 BGADHN C[C@H](c1ccccc1Cl)N1CC[C@@H]2C[C@@H]21 ZINC000761091018 585408011 /nfs/dbraw/zinc/40/80/11/585408011.db2.gz LEEUWIWWIIBKIL-BREBYQMCSA-N 0 3 221.731 3.495 20 0 BGADHN C[C@H](c1ccccc1Cl)N1CC[C@H]2C[C@H]21 ZINC000761091021 585408066 /nfs/dbraw/zinc/40/80/66/585408066.db2.gz LEEUWIWWIIBKIL-GBIKHYSHSA-N 0 3 221.731 3.495 20 0 BGADHN CC(C)Oc1cccc(CN2CC[C@H]3C[C@H]32)c1 ZINC000761095939 585408660 /nfs/dbraw/zinc/40/86/60/585408660.db2.gz PXKUMRDUFLCNER-DZGCQCFKSA-N 0 3 231.339 3.068 20 0 BGADHN CC(C)Oc1cccc(CN2CC[C@@H]3C[C@@H]32)c1 ZINC000761095941 585408715 /nfs/dbraw/zinc/40/87/15/585408715.db2.gz PXKUMRDUFLCNER-HIFRSBDPSA-N 0 3 231.339 3.068 20 0 BGADHN C[C@H](c1ccc(Cl)cc1)N1CC[C@H]2C[C@H]21 ZINC000761099998 585409060 /nfs/dbraw/zinc/40/90/60/585409060.db2.gz WDTSMJOLLZPTMT-SUZMYJTESA-N 0 3 221.731 3.495 20 0 BGADHN C[C@H](c1ccc(Cl)cc1)N1CC[C@@H]2C[C@@H]21 ZINC000761100002 585409045 /nfs/dbraw/zinc/40/90/45/585409045.db2.gz WDTSMJOLLZPTMT-XWIASGKRSA-N 0 3 221.731 3.495 20 0 BGADHN CC(C)Oc1ccc(CN2CC[C@H]3C[C@H]32)cc1 ZINC000761100422 584910076 /nfs/dbraw/zinc/91/00/76/584910076.db2.gz XHDJWEVQYHBAPA-DZGCQCFKSA-N 0 3 231.339 3.068 20 0 BGADHN CC(C)Oc1ccc(CN2CC[C@@H]3C[C@@H]32)cc1 ZINC000761100423 584910072 /nfs/dbraw/zinc/91/00/72/584910072.db2.gz XHDJWEVQYHBAPA-HIFRSBDPSA-N 0 3 231.339 3.068 20 0 BGADHN CCCCCCN1CCOC[C@@]1(C)CC ZINC000761103356 585409523 /nfs/dbraw/zinc/40/95/23/585409523.db2.gz WYYWEUHCSRYZHP-CYBMUJFWSA-N 0 3 213.365 3.068 20 0 BGADHN CCCCCCN1CCOC[C@]1(C)CC ZINC000761103357 585409403 /nfs/dbraw/zinc/40/94/03/585409403.db2.gz WYYWEUHCSRYZHP-ZDUSSCGKSA-N 0 3 213.365 3.068 20 0 BGADHN CCCCCCN1CC2(C1)CC(F)(F)C2 ZINC000761114276 585410541 /nfs/dbraw/zinc/41/05/41/585410541.db2.gz MDBHBUWSLKIYAO-UHFFFAOYSA-N 0 3 217.303 3.298 20 0 BGADHN FC1(F)CC2(CN(CCc3cccs3)C2)C1 ZINC000761115822 585410566 /nfs/dbraw/zinc/41/05/66/585410566.db2.gz ZEXOBLWQTNUTOF-UHFFFAOYSA-N 0 3 243.322 3.022 20 0 BGADHN FCCN1CCCC[C@H]1CCc1ccccc1 ZINC000761120147 585410483 /nfs/dbraw/zinc/41/04/83/585410483.db2.gz AOOBGKNGHVKPKU-HNNXBMFYSA-N 0 3 235.346 3.443 20 0 BGADHN FCCN1CCCC[C@@H]1CCc1ccccc1 ZINC000761120150 585410685 /nfs/dbraw/zinc/41/06/85/585410685.db2.gz AOOBGKNGHVKPKU-OAHLLOKOSA-N 0 3 235.346 3.443 20 0 BGADHN C[C@@H]1CCN(Cc2ccoc2)CC1(C)C ZINC000761226976 585412644 /nfs/dbraw/zinc/41/26/44/585412644.db2.gz TXSHWSAANHOMST-LLVKDONJSA-N 0 3 207.317 3.148 20 0 BGADHN C[C@H]1CCN(Cc2ccoc2)CC1(C)C ZINC000761226977 585412821 /nfs/dbraw/zinc/41/28/21/585412821.db2.gz TXSHWSAANHOMST-NSHDSACASA-N 0 3 207.317 3.148 20 0 BGADHN CC(C)(C)N(CCF)Cc1ccccc1 ZINC000761887535 585422331 /nfs/dbraw/zinc/42/23/31/585422331.db2.gz OMPGFDIFBISGIK-UHFFFAOYSA-N 0 3 209.308 3.257 20 0 BGADHN CC(C)(C)N(CCF)Cc1ccc(F)cc1 ZINC000761945877 585423102 /nfs/dbraw/zinc/42/31/02/585423102.db2.gz IRJVGFQJLNOOQT-UHFFFAOYSA-N 0 3 227.298 3.396 20 0 BGADHN Cc1ccc(C)c([C@@H]2CCCN2CCF)c1 ZINC000761957403 585423184 /nfs/dbraw/zinc/42/31/84/585423184.db2.gz WSSFNLKAGHRAFX-AWEZNQCLSA-N 0 3 221.319 3.410 20 0 BGADHN Cc1ccc(C)c([C@H]2CCCN2CCF)c1 ZINC000761957406 585423351 /nfs/dbraw/zinc/42/33/51/585423351.db2.gz WSSFNLKAGHRAFX-CQSZACIVSA-N 0 3 221.319 3.410 20 0 BGADHN Cc1cccc(C)c1CN(C)CCOC(C)C ZINC000761973143 585423463 /nfs/dbraw/zinc/42/34/63/585423463.db2.gz JAPWJARKMAHCBN-UHFFFAOYSA-N 0 3 235.371 3.160 20 0 BGADHN CCN(CC)CCSc1nc(C)c(C)s1 ZINC000762480004 585432769 /nfs/dbraw/zinc/43/27/69/585432769.db2.gz PMNUZUFYFYKKMY-UHFFFAOYSA-N 0 3 244.429 3.194 20 0 BGADHN FCCN1CCCC[C@@H]1c1ccccc1 ZINC000762631237 585434644 /nfs/dbraw/zinc/43/46/44/585434644.db2.gz CGDMHZMPVVRADY-CYBMUJFWSA-N 0 3 207.292 3.183 20 0 BGADHN FCCN1CCCC[C@H]1c1ccccc1 ZINC000762631240 585434652 /nfs/dbraw/zinc/43/46/52/585434652.db2.gz CGDMHZMPVVRADY-ZDUSSCGKSA-N 0 3 207.292 3.183 20 0 BGADHN c1n[nH]cc1CN1CCCC[C@H]1c1ccccc1 ZINC000762793189 585437232 /nfs/dbraw/zinc/43/72/32/585437232.db2.gz FAZODMFWYCWJLW-HNNXBMFYSA-N 0 3 241.338 3.137 20 0 BGADHN c1n[nH]cc1CN1CCCC[C@@H]1c1ccccc1 ZINC000762793197 585437382 /nfs/dbraw/zinc/43/73/82/585437382.db2.gz FAZODMFWYCWJLW-OAHLLOKOSA-N 0 3 241.338 3.137 20 0 BGADHN CCCCCCN1CCOCC12CCCC2 ZINC000762926374 585439602 /nfs/dbraw/zinc/43/96/02/585439602.db2.gz JPENFTOESJOPOR-UHFFFAOYSA-N 0 3 225.376 3.212 20 0 BGADHN CCCCCCN1CCOC(C)(C)[C@H]1C ZINC000763419981 585448135 /nfs/dbraw/zinc/44/81/35/585448135.db2.gz TYUHJPUVGRMNKL-GFCCVEGCSA-N 0 3 213.365 3.066 20 0 BGADHN CCCCCCN1CCOC(C)(C)[C@@H]1C ZINC000763419982 585448180 /nfs/dbraw/zinc/44/81/80/585448180.db2.gz TYUHJPUVGRMNKL-LBPRGKRZSA-N 0 3 213.365 3.066 20 0 BGADHN CC(C)OCCN1Cc2ccccc2[C@H](C)C1 ZINC000763619401 585451245 /nfs/dbraw/zinc/45/12/45/585451245.db2.gz WAFMBCUNTHZJAP-CYBMUJFWSA-N 0 3 233.355 3.031 20 0 BGADHN CC(C)OCCN1Cc2ccccc2[C@@H](C)C1 ZINC000763619403 585451257 /nfs/dbraw/zinc/45/12/57/585451257.db2.gz WAFMBCUNTHZJAP-ZDUSSCGKSA-N 0 3 233.355 3.031 20 0 BGADHN C[C@@H]1CC2(CCC2)CN1Cc1ccoc1 ZINC000763646199 585451474 /nfs/dbraw/zinc/45/14/74/585451474.db2.gz KIEWOLJMPCOXET-LLVKDONJSA-N 0 3 205.301 3.044 20 0 BGADHN C[C@H]1CC2(CCC2)CN1Cc1ccoc1 ZINC000763646200 585451726 /nfs/dbraw/zinc/45/17/26/585451726.db2.gz KIEWOLJMPCOXET-NSHDSACASA-N 0 3 205.301 3.044 20 0 BGADHN CC(C)[C@H]1c2ccccc2CCN1CCF ZINC000763705254 585453016 /nfs/dbraw/zinc/45/30/16/585453016.db2.gz RWMIVXWKVLUABD-AWEZNQCLSA-N 0 3 221.319 3.211 20 0 BGADHN CC(C)[C@@H]1c2ccccc2CCN1CCF ZINC000763705255 585453154 /nfs/dbraw/zinc/45/31/54/585453154.db2.gz RWMIVXWKVLUABD-CQSZACIVSA-N 0 3 221.319 3.211 20 0 BGADHN FC(F)c1ccc(CN2CC[C@@H]3C[C@@H]32)cc1 ZINC000763879593 585456260 /nfs/dbraw/zinc/45/62/60/585456260.db2.gz ZHBQGZMZAZTURX-NEPJUHHUSA-N 0 3 223.266 3.218 20 0 BGADHN FC(F)c1ccc(CN2CC[C@H]3C[C@H]32)cc1 ZINC000763879594 585456245 /nfs/dbraw/zinc/45/62/45/585456245.db2.gz ZHBQGZMZAZTURX-NWDGAFQWSA-N 0 3 223.266 3.218 20 0 BGADHN CCCCN[C@H]1CCOc2ccc(OCC)cc21 ZINC000764476373 585466130 /nfs/dbraw/zinc/46/61/30/585466130.db2.gz DDCJRAJRUOXCIU-AWEZNQCLSA-N 0 3 249.354 3.299 20 0 BGADHN CCCCN[C@@H]1CCOc2ccc(OCC)cc21 ZINC000764476374 585466149 /nfs/dbraw/zinc/46/61/49/585466149.db2.gz DDCJRAJRUOXCIU-CQSZACIVSA-N 0 3 249.354 3.299 20 0 BGADHN C[C@@H]1CCN(CCF)CC12CCCCC2 ZINC000765088316 585481009 /nfs/dbraw/zinc/48/10/09/585481009.db2.gz RXDRBZHKRAXECT-GFCCVEGCSA-N 0 3 213.340 3.248 20 0 BGADHN C[C@H]1CCN(CCF)CC12CCCCC2 ZINC000765088318 585481000 /nfs/dbraw/zinc/48/10/00/585481000.db2.gz RXDRBZHKRAXECT-LBPRGKRZSA-N 0 3 213.340 3.248 20 0 BGADHN COc1ccc(CNCc2ccsc2)c(C)c1 ZINC000765259587 585483206 /nfs/dbraw/zinc/48/32/06/585483206.db2.gz HHEHQIQFCLLJAI-UHFFFAOYSA-N 0 3 247.363 3.355 20 0 BGADHN COc1ccc(CNCc2ccccc2)c(C)c1 ZINC000765260276 585483236 /nfs/dbraw/zinc/48/32/36/585483236.db2.gz JBLFBVWRIRHYCU-UHFFFAOYSA-N 0 3 241.334 3.293 20 0 BGADHN COc1ccc(CNCc2cccs2)c(C)c1 ZINC000765262798 585483260 /nfs/dbraw/zinc/48/32/60/585483260.db2.gz SSBNLSZJZKBKAS-UHFFFAOYSA-N 0 3 247.363 3.355 20 0 BGADHN Cc1cccc(C)c1CCNCc1ccoc1 ZINC000765276694 585483658 /nfs/dbraw/zinc/48/36/58/585483658.db2.gz NDINGPSBLNFPFK-UHFFFAOYSA-N 0 3 229.323 3.229 20 0 BGADHN Cc1occc1CN[C@H](C)Cc1cccc(F)c1 ZINC000765395915 585485322 /nfs/dbraw/zinc/48/53/22/585485322.db2.gz JPRWTOVHROSSPK-LLVKDONJSA-N 0 3 247.313 3.448 20 0 BGADHN Cc1occc1CN[C@@H](C)Cc1cccc(F)c1 ZINC000765395917 585485372 /nfs/dbraw/zinc/48/53/72/585485372.db2.gz JPRWTOVHROSSPK-NSHDSACASA-N 0 3 247.313 3.448 20 0 BGADHN C[C@H](COc1ccccc1)N[C@H](C)c1ccoc1 ZINC000765436776 585486170 /nfs/dbraw/zinc/48/61/70/585486170.db2.gz HOHAIMJQIZAGBK-CHWSQXEVSA-N 0 3 245.322 3.398 20 0 BGADHN C[C@H](COc1ccccc1)N[C@@H](C)c1ccoc1 ZINC000765436779 585486305 /nfs/dbraw/zinc/48/63/05/585486305.db2.gz HOHAIMJQIZAGBK-OLZOCXBDSA-N 0 3 245.322 3.398 20 0 BGADHN C[C@@H](N[C@@H](C)COc1ccccc1)c1ccoc1 ZINC000765436783 585486362 /nfs/dbraw/zinc/48/63/62/585486362.db2.gz HOHAIMJQIZAGBK-QWHCGFSZSA-N 0 3 245.322 3.398 20 0 BGADHN C[C@@H](COc1ccccc1)N[C@@H](C)c1ccoc1 ZINC000765436785 585486411 /nfs/dbraw/zinc/48/64/11/585486411.db2.gz HOHAIMJQIZAGBK-STQMWFEESA-N 0 3 245.322 3.398 20 0 BGADHN COc1ccc2c(c1)nccc2NCC(C)C ZINC000765450172 585486684 /nfs/dbraw/zinc/48/66/84/585486684.db2.gz MSVXHHBDWRYMLI-UHFFFAOYSA-N 0 3 230.311 3.311 20 0 BGADHN COc1ccc2c(c1)nccc2N1CCCCC1 ZINC000765452000 585486887 /nfs/dbraw/zinc/48/68/87/585486887.db2.gz VSNXXETYVBJCSG-UHFFFAOYSA-N 0 3 242.322 3.234 20 0 BGADHN CC[C@H](C)Nc1ccnc2cc(OC)ccc21 ZINC000765452146 585486997 /nfs/dbraw/zinc/48/69/97/585486997.db2.gz ZDSLSLPIRGDGMR-JTQLQIEISA-N 0 3 230.311 3.454 20 0 BGADHN CC[C@@H](C)Nc1ccnc2cc(OC)ccc21 ZINC000765452147 585487037 /nfs/dbraw/zinc/48/70/37/585487037.db2.gz ZDSLSLPIRGDGMR-SNVBAGLBSA-N 0 3 230.311 3.454 20 0 BGADHN CCCCOCCN[C@H]1CCc2cc(C)ccc21 ZINC000765454705 585486985 /nfs/dbraw/zinc/48/69/85/585486985.db2.gz NTLMYRUIJINMQU-INIZCTEOSA-N 0 3 247.382 3.389 20 0 BGADHN CCCCOCCN[C@@H]1CCc2cc(C)ccc21 ZINC000765454706 585486983 /nfs/dbraw/zinc/48/69/83/585486983.db2.gz NTLMYRUIJINMQU-MRXNPFEDSA-N 0 3 247.382 3.389 20 0 BGADHN COc1ccc2c(c1)nccc2NCC1CC1 ZINC000765463318 585487188 /nfs/dbraw/zinc/48/71/88/585487188.db2.gz SMOZWDGOXNSOEZ-UHFFFAOYSA-N 0 3 228.295 3.065 20 0 BGADHN COc1ccc2c(c1)nccc2N(C)CC(C)C ZINC000765486838 585487888 /nfs/dbraw/zinc/48/78/88/585487888.db2.gz BHAFMMFVTUFPAW-UHFFFAOYSA-N 0 3 244.338 3.336 20 0 BGADHN CCCN(C)c1ccnc2cc(OC)ccc21 ZINC000765487916 585488047 /nfs/dbraw/zinc/48/80/47/585488047.db2.gz ICJKPVNHMKOZOZ-UHFFFAOYSA-N 0 3 230.311 3.090 20 0 BGADHN COc1ccc2c(c1)nccc2N1CC[C@@H](C)C1 ZINC000765490637 585487966 /nfs/dbraw/zinc/48/79/66/585487966.db2.gz VSNHIIXMXZOZJM-LLVKDONJSA-N 0 3 242.322 3.090 20 0 BGADHN COc1ccc2c(c1)nccc2N1CC[C@H](C)C1 ZINC000765490639 585487972 /nfs/dbraw/zinc/48/79/72/585487972.db2.gz VSNHIIXMXZOZJM-NSHDSACASA-N 0 3 242.322 3.090 20 0 BGADHN COc1ccc2c(c1)nccc2NC1CCC1 ZINC000765503499 585488371 /nfs/dbraw/zinc/48/83/71/585488371.db2.gz YPRAAXMRLXOPHL-UHFFFAOYSA-N 0 3 228.295 3.208 20 0 BGADHN COc1ccc2c(c1)nccc2N(C)C1CCC1 ZINC000765508894 585488599 /nfs/dbraw/zinc/48/85/99/585488599.db2.gz LHRHKPFADRYMKK-UHFFFAOYSA-N 0 3 242.322 3.232 20 0 BGADHN COc1ccc2c(c1)nccc2NCCC1CC1 ZINC000765508972 585488634 /nfs/dbraw/zinc/48/86/34/585488634.db2.gz MEDYQXPQSNUTKG-UHFFFAOYSA-N 0 3 242.322 3.455 20 0 BGADHN COc1ccc2c(c1)nccc2NCC1(C)CC1 ZINC000765512252 585488694 /nfs/dbraw/zinc/48/86/94/585488694.db2.gz ACFFVJJWUMGOAA-UHFFFAOYSA-N 0 3 242.322 3.455 20 0 BGADHN COc1ccc2c(c1)nccc2N1CCC[C@H]1C ZINC000765518353 585489007 /nfs/dbraw/zinc/48/90/07/585489007.db2.gz ZCLSYYGRLHYWOK-LLVKDONJSA-N 0 3 242.322 3.232 20 0 BGADHN COc1ccc2c(c1)nccc2N1CCC[C@@H]1C ZINC000765518356 585489034 /nfs/dbraw/zinc/48/90/34/585489034.db2.gz ZCLSYYGRLHYWOK-NSHDSACASA-N 0 3 242.322 3.232 20 0 BGADHN COc1ccc2c(c1)nccc2NC1CC=CC1 ZINC000765525393 585489218 /nfs/dbraw/zinc/48/92/18/585489218.db2.gz GGUUNJRQHRTELL-UHFFFAOYSA-N 0 3 240.306 3.374 20 0 BGADHN CC(C)n1cc2c(n1)[C@@H](NC1CCCC1)CCC2 ZINC000765728081 585492311 /nfs/dbraw/zinc/49/23/11/585492311.db2.gz GVTBKUMNGVPGRQ-AWEZNQCLSA-N 0 3 247.386 3.374 20 0 BGADHN CC(C)n1cc2c(n1)[C@H](NC1CCCC1)CCC2 ZINC000765728084 585492327 /nfs/dbraw/zinc/49/23/27/585492327.db2.gz GVTBKUMNGVPGRQ-CQSZACIVSA-N 0 3 247.386 3.374 20 0 BGADHN CC(C)[C@H](C)N[C@@H]1CCCc2cn(C(C)C)nc21 ZINC000765818979 585492954 /nfs/dbraw/zinc/49/29/54/585492954.db2.gz PXIJKPSRNSTPKZ-GXTWGEPZSA-N 0 3 249.402 3.476 20 0 BGADHN CC(C)[C@H](C)N[C@H]1CCCc2cn(C(C)C)nc21 ZINC000765818982 585493133 /nfs/dbraw/zinc/49/31/33/585493133.db2.gz PXIJKPSRNSTPKZ-JSGCOSHPSA-N 0 3 249.402 3.476 20 0 BGADHN CC(C)[C@@H](C)N[C@H]1CCCc2cn(C(C)C)nc21 ZINC000765818987 585493057 /nfs/dbraw/zinc/49/30/57/585493057.db2.gz PXIJKPSRNSTPKZ-OCCSQVGLSA-N 0 3 249.402 3.476 20 0 BGADHN CC(C)[C@@H](C)N[C@@H]1CCCc2cn(C(C)C)nc21 ZINC000765818990 585493047 /nfs/dbraw/zinc/49/30/47/585493047.db2.gz PXIJKPSRNSTPKZ-TZMCWYRMSA-N 0 3 249.402 3.476 20 0 BGADHN CC[C@H](C)N[C@H]1CCCc2cn(C(C)C)nc21 ZINC000765820024 585493086 /nfs/dbraw/zinc/49/30/86/585493086.db2.gz SDSIFDHCRHAPHF-AAEUAGOBSA-N 0 3 235.375 3.230 20 0 BGADHN CC[C@@H](C)N[C@@H]1CCCc2cn(C(C)C)nc21 ZINC000765820026 585492982 /nfs/dbraw/zinc/49/29/82/585492982.db2.gz SDSIFDHCRHAPHF-DGCLKSJQSA-N 0 3 235.375 3.230 20 0 BGADHN CC[C@H](C)N[C@@H]1CCCc2cn(C(C)C)nc21 ZINC000765820028 585493117 /nfs/dbraw/zinc/49/31/17/585493117.db2.gz SDSIFDHCRHAPHF-WCQYABFASA-N 0 3 235.375 3.230 20 0 BGADHN CC[C@@H](C)N[C@H]1CCCc2cn(C(C)C)nc21 ZINC000765820030 585493077 /nfs/dbraw/zinc/49/30/77/585493077.db2.gz SDSIFDHCRHAPHF-YPMHNXCESA-N 0 3 235.375 3.230 20 0 BGADHN CC(C)n1cc2c(n1)[C@H](N[C@H](C)C1CC1)CCC2 ZINC000765825837 585493125 /nfs/dbraw/zinc/49/31/25/585493125.db2.gz WORHGCHFMMRYGX-BXUZGUMPSA-N 0 3 247.386 3.230 20 0 BGADHN CC(C)n1cc2c(n1)[C@@H](N[C@@H](C)C1CC1)CCC2 ZINC000765825840 585492976 /nfs/dbraw/zinc/49/29/76/585492976.db2.gz WORHGCHFMMRYGX-FZMZJTMJSA-N 0 3 247.386 3.230 20 0 BGADHN CC(C)n1cc2c(n1)[C@@H](N[C@H](C)C1CC1)CCC2 ZINC000765825843 585493012 /nfs/dbraw/zinc/49/30/12/585493012.db2.gz WORHGCHFMMRYGX-RISCZKNCSA-N 0 3 247.386 3.230 20 0 BGADHN CC(C)n1cc2c(n1)[C@H](N[C@@H](C)C1CC1)CCC2 ZINC000765825845 585492963 /nfs/dbraw/zinc/49/29/63/585492963.db2.gz WORHGCHFMMRYGX-SMDDNHRTSA-N 0 3 247.386 3.230 20 0 BGADHN C[C@@H](N[C@@H]1CCOC1)c1csc2ccccc12 ZINC000765833569 585493255 /nfs/dbraw/zinc/49/32/55/585493255.db2.gz MVNOYNIRSJBZPW-GHMZBOCLSA-N 0 3 247.363 3.341 20 0 BGADHN C[C@@H](N[C@H]1CCOC1)c1csc2ccccc12 ZINC000765833570 585493279 /nfs/dbraw/zinc/49/32/79/585493279.db2.gz MVNOYNIRSJBZPW-MNOVXSKESA-N 0 3 247.363 3.341 20 0 BGADHN C[C@H](N[C@H]1CCOC1)c1csc2ccccc12 ZINC000765833571 585493258 /nfs/dbraw/zinc/49/32/58/585493258.db2.gz MVNOYNIRSJBZPW-QWRGUYRKSA-N 0 3 247.363 3.341 20 0 BGADHN C[C@H](N[C@@H]1CCOC1)c1csc2ccccc12 ZINC000765833572 585493229 /nfs/dbraw/zinc/49/32/29/585493229.db2.gz MVNOYNIRSJBZPW-WDEREUQCSA-N 0 3 247.363 3.341 20 0 BGADHN CCc1cc(CN[C@@H](CC)c2ccccc2)[nH]n1 ZINC000765992313 585495365 /nfs/dbraw/zinc/49/53/65/585495365.db2.gz ILGUYNKGFCATJV-HNNXBMFYSA-N 0 3 243.354 3.213 20 0 BGADHN CCc1cc(CN[C@@H](CC)c2ccccc2)n[nH]1 ZINC000765992313 585495364 /nfs/dbraw/zinc/49/53/64/585495364.db2.gz ILGUYNKGFCATJV-HNNXBMFYSA-N 0 3 243.354 3.213 20 0 BGADHN CCc1cc(CN[C@H](CC)c2ccccc2)[nH]n1 ZINC000765992318 585495377 /nfs/dbraw/zinc/49/53/77/585495377.db2.gz ILGUYNKGFCATJV-OAHLLOKOSA-N 0 3 243.354 3.213 20 0 BGADHN CCc1cc(CN[C@H](CC)c2ccccc2)n[nH]1 ZINC000765992318 585495376 /nfs/dbraw/zinc/49/53/76/585495376.db2.gz ILGUYNKGFCATJV-OAHLLOKOSA-N 0 3 243.354 3.213 20 0 BGADHN CCc1cc(CN[C@@H](C)c2sccc2C)[nH]n1 ZINC000765992534 585495359 /nfs/dbraw/zinc/49/53/59/585495359.db2.gz JWTQCPAGMRJVHY-JTQLQIEISA-N 0 3 249.383 3.193 20 0 BGADHN CCc1cc(CN[C@@H](C)c2sccc2C)n[nH]1 ZINC000765992534 585495358 /nfs/dbraw/zinc/49/53/58/585495358.db2.gz JWTQCPAGMRJVHY-JTQLQIEISA-N 0 3 249.383 3.193 20 0 BGADHN CCc1cc(CN[C@H](C)c2sccc2C)[nH]n1 ZINC000765992548 585495292 /nfs/dbraw/zinc/49/52/92/585495292.db2.gz JWTQCPAGMRJVHY-SNVBAGLBSA-N 0 3 249.383 3.193 20 0 BGADHN CCc1cc(CN[C@H](C)c2sccc2C)n[nH]1 ZINC000765992548 585495291 /nfs/dbraw/zinc/49/52/91/585495291.db2.gz JWTQCPAGMRJVHY-SNVBAGLBSA-N 0 3 249.383 3.193 20 0 BGADHN CCc1cc(CN[C@@H](C)c2ccc(C)s2)[nH]n1 ZINC000765993828 585495648 /nfs/dbraw/zinc/49/56/48/585495648.db2.gz NCIAHVHCSWOQDH-JTQLQIEISA-N 0 3 249.383 3.193 20 0 BGADHN CCc1cc(CN[C@@H](C)c2ccc(C)s2)n[nH]1 ZINC000765993828 585495647 /nfs/dbraw/zinc/49/56/47/585495647.db2.gz NCIAHVHCSWOQDH-JTQLQIEISA-N 0 3 249.383 3.193 20 0 BGADHN CCc1cc(CN[C@H](C)c2ccc(C)s2)[nH]n1 ZINC000765993830 585495526 /nfs/dbraw/zinc/49/55/26/585495526.db2.gz NCIAHVHCSWOQDH-SNVBAGLBSA-N 0 3 249.383 3.193 20 0 BGADHN CCc1cc(CN[C@H](C)c2ccc(C)s2)n[nH]1 ZINC000765993830 585495525 /nfs/dbraw/zinc/49/55/25/585495525.db2.gz NCIAHVHCSWOQDH-SNVBAGLBSA-N 0 3 249.383 3.193 20 0 BGADHN CCc1cc(CN[C@H](CC)c2cccs2)[nH]n1 ZINC000765995635 585495517 /nfs/dbraw/zinc/49/55/17/585495517.db2.gz WBFOKWDPTPYQSZ-GFCCVEGCSA-N 0 3 249.383 3.275 20 0 BGADHN CCc1cc(CN[C@H](CC)c2cccs2)n[nH]1 ZINC000765995635 585495516 /nfs/dbraw/zinc/49/55/16/585495516.db2.gz WBFOKWDPTPYQSZ-GFCCVEGCSA-N 0 3 249.383 3.275 20 0 BGADHN CCc1cc(CN[C@@H](CC)c2cccs2)[nH]n1 ZINC000765995636 585495559 /nfs/dbraw/zinc/49/55/59/585495559.db2.gz WBFOKWDPTPYQSZ-LBPRGKRZSA-N 0 3 249.383 3.275 20 0 BGADHN CCc1cc(CN[C@@H](CC)c2cccs2)n[nH]1 ZINC000765995636 585495558 /nfs/dbraw/zinc/49/55/58/585495558.db2.gz WBFOKWDPTPYQSZ-LBPRGKRZSA-N 0 3 249.383 3.275 20 0 BGADHN CCc1cc(CN[C@H](C)c2ccccc2C)[nH]n1 ZINC000765999281 585495533 /nfs/dbraw/zinc/49/55/33/585495533.db2.gz AISAGTXLKSCLBA-GFCCVEGCSA-N 0 3 243.354 3.131 20 0 BGADHN CCc1cc(CN[C@H](C)c2ccccc2C)n[nH]1 ZINC000765999281 585495532 /nfs/dbraw/zinc/49/55/32/585495532.db2.gz AISAGTXLKSCLBA-GFCCVEGCSA-N 0 3 243.354 3.131 20 0 BGADHN CCc1cc(CN[C@@H](C)c2ccccc2C)[nH]n1 ZINC000765999282 585495616 /nfs/dbraw/zinc/49/56/16/585495616.db2.gz AISAGTXLKSCLBA-LBPRGKRZSA-N 0 3 243.354 3.131 20 0 BGADHN CCc1cc(CN[C@@H](C)c2ccccc2C)n[nH]1 ZINC000765999282 585495615 /nfs/dbraw/zinc/49/56/15/585495615.db2.gz AISAGTXLKSCLBA-LBPRGKRZSA-N 0 3 243.354 3.131 20 0 BGADHN CCc1cc(CN[C@H](C)c2cccc(C)c2)n[nH]1 ZINC000765999561 585495609 /nfs/dbraw/zinc/49/56/09/585495609.db2.gz BXXKQBNSLHPPBJ-GFCCVEGCSA-N 0 3 243.354 3.131 20 0 BGADHN CCc1cc(CN[C@@H](C)c2cccc(C)c2)n[nH]1 ZINC000765999562 585495505 /nfs/dbraw/zinc/49/55/05/585495505.db2.gz BXXKQBNSLHPPBJ-LBPRGKRZSA-N 0 3 243.354 3.131 20 0 BGADHN C[C@H]1C[C@H]1c1ccc(CN(C)CCCF)o1 ZINC000766004431 585495812 /nfs/dbraw/zinc/49/58/12/585495812.db2.gz FLXSENFPEWSQRM-CMPLNLGQSA-N 0 3 225.307 3.194 20 0 BGADHN C[C@H]1C[C@@H]1c1ccc(CN(C)CCCF)o1 ZINC000766004433 585495836 /nfs/dbraw/zinc/49/58/36/585495836.db2.gz FLXSENFPEWSQRM-JQWIXIFHSA-N 0 3 225.307 3.194 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CN(C)CCCF)o1 ZINC000766004434 585495873 /nfs/dbraw/zinc/49/58/73/585495873.db2.gz FLXSENFPEWSQRM-PWSUYJOCSA-N 0 3 225.307 3.194 20 0 BGADHN C[C@@H]1C[C@H]1c1ccc(CN(C)CCCF)o1 ZINC000766004435 585495706 /nfs/dbraw/zinc/49/57/06/585495706.db2.gz FLXSENFPEWSQRM-ZYHUDNBSSA-N 0 3 225.307 3.194 20 0 BGADHN c1cc2nsnc2c(CN2CCCCCC2)c1 ZINC000766004494 585495727 /nfs/dbraw/zinc/49/57/27/585495727.db2.gz DHXOVKZTIQCQHA-UHFFFAOYSA-N 0 3 247.367 3.067 20 0 BGADHN CCc1cc(CN[C@H](C)c2ccc(C)cc2)n[nH]1 ZINC000766004751 585495725 /nfs/dbraw/zinc/49/57/25/585495725.db2.gz SJMGDORZHTZQGP-GFCCVEGCSA-N 0 3 243.354 3.131 20 0 BGADHN CCc1cc(CN[C@@H](C)c2ccc(C)cc2)n[nH]1 ZINC000766004760 585495730 /nfs/dbraw/zinc/49/57/30/585495730.db2.gz SJMGDORZHTZQGP-LBPRGKRZSA-N 0 3 243.354 3.131 20 0 BGADHN Cc1ccc(C2=CCN(CCCF)CC2)cc1 ZINC000766007202 585495750 /nfs/dbraw/zinc/49/57/50/585495750.db2.gz ANJZMHSARXGOGS-UHFFFAOYSA-N 0 3 233.330 3.444 20 0 BGADHN C[C@H]1CCCCN1Cc1cccc2nsnc21 ZINC000766008206 585495676 /nfs/dbraw/zinc/49/56/76/585495676.db2.gz QVZOCVOZKJZQGT-JTQLQIEISA-N 0 3 247.367 3.066 20 0 BGADHN C[C@@H]1CCCCN1Cc1cccc2nsnc21 ZINC000766008209 585495670 /nfs/dbraw/zinc/49/56/70/585495670.db2.gz QVZOCVOZKJZQGT-SNVBAGLBSA-N 0 3 247.367 3.066 20 0 BGADHN CN(CCCF)Cc1cccc(OC(F)F)c1 ZINC000766017791 585496141 /nfs/dbraw/zinc/49/61/41/585496141.db2.gz GCJOTQONCJFNGN-UHFFFAOYSA-N 0 3 247.260 3.079 20 0 BGADHN C[C@@H](c1cccc(F)c1)N(C)CCCF ZINC000766032458 585496647 /nfs/dbraw/zinc/49/66/47/585496647.db2.gz VMDCZMGOFSOUPZ-JTQLQIEISA-N 0 3 213.271 3.178 20 0 BGADHN C[C@H](c1cccc(F)c1)N(C)CCCF ZINC000766032459 585496634 /nfs/dbraw/zinc/49/66/34/585496634.db2.gz VMDCZMGOFSOUPZ-SNVBAGLBSA-N 0 3 213.271 3.178 20 0 BGADHN CC[C@@H]1CCCN1Cc1cccc2nsnc21 ZINC000766050646 585497117 /nfs/dbraw/zinc/49/71/17/585497117.db2.gz QQCHNEJOICQPLV-LLVKDONJSA-N 0 3 247.367 3.066 20 0 BGADHN CC[C@H]1CCCN1Cc1cccc2nsnc21 ZINC000766050647 585496916 /nfs/dbraw/zinc/49/69/16/585496916.db2.gz QQCHNEJOICQPLV-NSHDSACASA-N 0 3 247.367 3.066 20 0 BGADHN C[C@@H]1CC[C@H](C)N1Cc1cccc2nsnc21 ZINC000766091496 585497558 /nfs/dbraw/zinc/49/75/58/585497558.db2.gz MVUJHVPEZXAZLX-AOOOYVTPSA-N 0 3 247.367 3.064 20 0 BGADHN C[C@@H]1CC[C@@H](C)N1Cc1cccc2nsnc21 ZINC000766091502 585497584 /nfs/dbraw/zinc/49/75/84/585497584.db2.gz MVUJHVPEZXAZLX-NXEZZACHSA-N 0 3 247.367 3.064 20 0 BGADHN C[C@H]1CC[C@H](C)N1Cc1cccc2nsnc21 ZINC000766091509 585497662 /nfs/dbraw/zinc/49/76/62/585497662.db2.gz MVUJHVPEZXAZLX-UWVGGRQHSA-N 0 3 247.367 3.064 20 0 BGADHN FC(F)C1CCN(CCc2cccs2)CC1 ZINC000766191317 585498630 /nfs/dbraw/zinc/49/86/30/585498630.db2.gz SPNXQBVMDPMSDL-UHFFFAOYSA-N 0 3 245.338 3.268 20 0 BGADHN C[C@@H]1CC[C@@H](NCc2cccc(F)n2)C[C@@H]1C ZINC000766436829 585502587 /nfs/dbraw/zinc/50/25/87/585502587.db2.gz CVYPEGCUNRPXRW-GRYCIOLGSA-N 0 3 236.334 3.135 20 0 BGADHN C[C@@H]1CC[C@@H](NCc2cccc(F)n2)C[C@H]1C ZINC000766436834 585502484 /nfs/dbraw/zinc/50/24/84/585502484.db2.gz CVYPEGCUNRPXRW-IJLUTSLNSA-N 0 3 236.334 3.135 20 0 BGADHN C[C@@H]1CC[C@H](NCc2cccc(F)n2)C[C@H]1C ZINC000766436835 585502638 /nfs/dbraw/zinc/50/26/38/585502638.db2.gz CVYPEGCUNRPXRW-UTUOFQBUSA-N 0 3 236.334 3.135 20 0 BGADHN C[C@@H]1CC[C@H](NCc2cccc(F)n2)C[C@@H]1C ZINC000766436837 585502532 /nfs/dbraw/zinc/50/25/32/585502532.db2.gz CVYPEGCUNRPXRW-WOPDTQHZSA-N 0 3 236.334 3.135 20 0 BGADHN Cc1cc(NCCC2=CCCCCC2)nc(N)n1 ZINC000766437760 585502652 /nfs/dbraw/zinc/50/26/52/585502652.db2.gz MWEPBSFFINPHBY-UHFFFAOYSA-N 0 3 246.358 3.060 20 0 BGADHN Cc1ccc([C@@H](C)NCCNc2ccccc2)o1 ZINC000766514648 585503746 /nfs/dbraw/zinc/50/37/46/585503746.db2.gz JISSALDWIQKYTE-CYBMUJFWSA-N 0 3 244.338 3.351 20 0 BGADHN Cc1ccc([C@H](C)NCCNc2ccccc2)o1 ZINC000766514650 585503694 /nfs/dbraw/zinc/50/36/94/585503694.db2.gz JISSALDWIQKYTE-ZDUSSCGKSA-N 0 3 244.338 3.351 20 0 BGADHN C[C@@H](NCCNc1ccccc1)c1ccoc1 ZINC000766514737 585503751 /nfs/dbraw/zinc/50/37/51/585503751.db2.gz KUXLCEQVVSZESD-GFCCVEGCSA-N 0 3 230.311 3.042 20 0 BGADHN C[C@H](NCCNc1ccccc1)c1ccoc1 ZINC000766514738 585503531 /nfs/dbraw/zinc/50/35/31/585503531.db2.gz KUXLCEQVVSZESD-LBPRGKRZSA-N 0 3 230.311 3.042 20 0 BGADHN C[C@@H](NCCNc1ccccc1)c1ccco1 ZINC000766515841 585503663 /nfs/dbraw/zinc/50/36/63/585503663.db2.gz SMMZDPDOVXDQAZ-GFCCVEGCSA-N 0 3 230.311 3.042 20 0 BGADHN C[C@H](NCCNc1ccccc1)c1ccco1 ZINC000766515842 585503628 /nfs/dbraw/zinc/50/36/28/585503628.db2.gz SMMZDPDOVXDQAZ-LBPRGKRZSA-N 0 3 230.311 3.042 20 0 BGADHN Cc1noc(C)c1CCCN[C@@H](C)c1ccoc1 ZINC000766537923 585503838 /nfs/dbraw/zinc/50/38/38/585503838.db2.gz NQUHHQVGNQPWIF-JTQLQIEISA-N 0 3 248.326 3.168 20 0 BGADHN Cc1noc(C)c1CCCN[C@H](C)c1ccoc1 ZINC000766537925 585503965 /nfs/dbraw/zinc/50/39/65/585503965.db2.gz NQUHHQVGNQPWIF-SNVBAGLBSA-N 0 3 248.326 3.168 20 0 BGADHN CCC1(CC)CN(C/C=C/Cl)CCS1 ZINC000766986566 585512691 /nfs/dbraw/zinc/51/26/91/585512691.db2.gz HLWJGTLRWYXLBD-AATRIKPKSA-N 0 3 233.808 3.347 20 0 BGADHN CCC1(CC)CN(C/C=C\Cl)CCS1 ZINC000766986575 585512677 /nfs/dbraw/zinc/51/26/77/585512677.db2.gz HLWJGTLRWYXLBD-WAYWQWQTSA-N 0 3 233.808 3.347 20 0 BGADHN C[C@H](c1ccc(F)cc1)N(C)CCC(=O)C1CC1 ZINC000767345747 585516879 /nfs/dbraw/zinc/51/68/79/585516879.db2.gz GCLCPNFDBXCVDX-LLVKDONJSA-N 0 3 249.329 3.188 20 0 BGADHN C[C@@H](c1ccc(F)cc1)N(C)CCC(=O)C1CC1 ZINC000767345751 585516946 /nfs/dbraw/zinc/51/69/46/585516946.db2.gz GCLCPNFDBXCVDX-NSHDSACASA-N 0 3 249.329 3.188 20 0 BGADHN Cc1cc(CN[C@@H](C)Cc2ccco2)c(C)o1 ZINC000767346425 585517184 /nfs/dbraw/zinc/51/71/84/585517184.db2.gz LAPQHKRTGCLKHZ-JTQLQIEISA-N 0 3 233.311 3.210 20 0 BGADHN Cc1cc(CN[C@H](C)Cc2ccco2)c(C)o1 ZINC000767346426 585517160 /nfs/dbraw/zinc/51/71/60/585517160.db2.gz LAPQHKRTGCLKHZ-SNVBAGLBSA-N 0 3 233.311 3.210 20 0 BGADHN C[C@@H](c1cccs1)N(C)CCC(=O)C1CC1 ZINC000767347784 585517291 /nfs/dbraw/zinc/51/72/91/585517291.db2.gz DMFMASDMNFPHQY-JTQLQIEISA-N 0 3 237.368 3.110 20 0 BGADHN C[C@H](c1cccs1)N(C)CCC(=O)C1CC1 ZINC000767347787 585517097 /nfs/dbraw/zinc/51/70/97/585517097.db2.gz DMFMASDMNFPHQY-SNVBAGLBSA-N 0 3 237.368 3.110 20 0 BGADHN CCCN(CCC(=O)C1CC1)Cc1ccccc1 ZINC000767348070 585517275 /nfs/dbraw/zinc/51/72/75/585517275.db2.gz WHBHOOJARAKHDQ-UHFFFAOYSA-N 0 3 245.366 3.268 20 0 BGADHN O=C(CCN1CCC[C@@H]1c1cccs1)C1CC1 ZINC000767348307 585517019 /nfs/dbraw/zinc/51/70/19/585517019.db2.gz ZXYNVEZWLCJKQN-GFCCVEGCSA-N 0 3 249.379 3.254 20 0 BGADHN O=C(CCN1CCC[C@H]1c1cccs1)C1CC1 ZINC000767348308 585517083 /nfs/dbraw/zinc/51/70/83/585517083.db2.gz ZXYNVEZWLCJKQN-LBPRGKRZSA-N 0 3 249.379 3.254 20 0 BGADHN Cc1ccc([C@@H](C)N(C)CCC(=O)C2CC2)cc1 ZINC000767350359 585517047 /nfs/dbraw/zinc/51/70/47/585517047.db2.gz KGPWWBRPNIDASZ-CYBMUJFWSA-N 0 3 245.366 3.357 20 0 BGADHN Cc1ccc([C@H](C)N(C)CCC(=O)C2CC2)cc1 ZINC000767350360 585516940 /nfs/dbraw/zinc/51/69/40/585516940.db2.gz KGPWWBRPNIDASZ-ZDUSSCGKSA-N 0 3 245.366 3.357 20 0 BGADHN O=C(CCN1CCC[C@@H]1c1ccsc1)C1CC1 ZINC000767351085 585517061 /nfs/dbraw/zinc/51/70/61/585517061.db2.gz UQHAFGOUAADHHA-CYBMUJFWSA-N 0 3 249.379 3.254 20 0 BGADHN O=C(CCN1CCC[C@H]1c1ccsc1)C1CC1 ZINC000767351086 585517429 /nfs/dbraw/zinc/51/74/29/585517429.db2.gz UQHAFGOUAADHHA-ZDUSSCGKSA-N 0 3 249.379 3.254 20 0 BGADHN CCN(CCC(=O)C1CC1)Cc1ccc(C)cc1 ZINC000767353176 585517490 /nfs/dbraw/zinc/51/74/90/585517490.db2.gz BGCDKPLOGNNRGV-UHFFFAOYSA-N 0 3 245.366 3.186 20 0 BGADHN CC(C)N(CCC(=O)C1CC1)Cc1ccccc1 ZINC000767354411 585517564 /nfs/dbraw/zinc/51/75/64/585517564.db2.gz JNJRRGJASULYLA-UHFFFAOYSA-N 0 3 245.366 3.266 20 0 BGADHN Cc1ccc(CCNCc2cc(C)oc2C)o1 ZINC000767357455 584944792 /nfs/dbraw/zinc/94/47/92/584944792.db2.gz AEOGGMZBOONXGR-UHFFFAOYSA-N 0 3 233.311 3.130 20 0 BGADHN CCc1ccc(CN(C)CCC(=O)C2CC2)cc1 ZINC000767359222 585517865 /nfs/dbraw/zinc/51/78/65/585517865.db2.gz GFVXBHPILJTKED-UHFFFAOYSA-N 0 3 245.366 3.050 20 0 BGADHN O=C(CCN(Cc1ccccc1)C1CC1)C1CC1 ZINC000767360786 585517717 /nfs/dbraw/zinc/51/77/17/585517717.db2.gz KPVLDNIOFPVMAP-UHFFFAOYSA-N 0 3 243.350 3.020 20 0 BGADHN CCN(CCC(=O)C1CC1)Cc1ccccc1C ZINC000767361271 585517782 /nfs/dbraw/zinc/51/77/82/585517782.db2.gz LFQIZJJGCMVUTL-UHFFFAOYSA-N 0 3 245.366 3.186 20 0 BGADHN C[C@H](c1ccccc1)N(C)CCC(=O)C1CC1 ZINC000767363756 585517621 /nfs/dbraw/zinc/51/76/21/585517621.db2.gz WANSDPDCKXGLEM-GFCCVEGCSA-N 0 3 231.339 3.049 20 0 BGADHN C[C@@H](c1ccccc1)N(C)CCC(=O)C1CC1 ZINC000767363757 585517845 /nfs/dbraw/zinc/51/78/45/585517845.db2.gz WANSDPDCKXGLEM-LBPRGKRZSA-N 0 3 231.339 3.049 20 0 BGADHN Cc1ccccc1[C@@H](C)N(C)CCC(=O)C1CC1 ZINC000767364916 585517887 /nfs/dbraw/zinc/51/78/87/585517887.db2.gz XMRGQILHJUCAFX-CYBMUJFWSA-N 0 3 245.366 3.357 20 0 BGADHN Cc1ccccc1[C@H](C)N(C)CCC(=O)C1CC1 ZINC000767364917 585517669 /nfs/dbraw/zinc/51/76/69/585517669.db2.gz XMRGQILHJUCAFX-ZDUSSCGKSA-N 0 3 245.366 3.357 20 0 BGADHN C[C@H](CN(C)CCC(=O)C1CC1)c1ccccc1 ZINC000767371539 585518240 /nfs/dbraw/zinc/51/82/40/585518240.db2.gz QDJGXXIZQDTGNT-CYBMUJFWSA-N 0 3 245.366 3.091 20 0 BGADHN C[C@@H](CN(C)CCC(=O)C1CC1)c1ccccc1 ZINC000767371541 585518078 /nfs/dbraw/zinc/51/80/78/585518078.db2.gz QDJGXXIZQDTGNT-ZDUSSCGKSA-N 0 3 245.366 3.091 20 0 BGADHN Cc1cc(CN[C@H](C)Cc2ccncc2)c(C)o1 ZINC000767373895 585518359 /nfs/dbraw/zinc/51/83/59/585518359.db2.gz DSQRVORJBCIQPB-LLVKDONJSA-N 0 3 244.338 3.012 20 0 BGADHN Cc1cc(CN[C@@H](C)Cc2ccncc2)c(C)o1 ZINC000767373896 585518427 /nfs/dbraw/zinc/51/84/27/585518427.db2.gz DSQRVORJBCIQPB-NSHDSACASA-N 0 3 244.338 3.012 20 0 BGADHN Cc1cc(CNCCNc2ccccc2)c(C)o1 ZINC000767374083 585518644 /nfs/dbraw/zinc/51/86/44/585518644.db2.gz VZRMWMJNPGKIAD-UHFFFAOYSA-N 0 3 244.338 3.098 20 0 BGADHN O=C(CCN1CCC(C2CCCC2)CC1)C1CC1 ZINC000767410606 585519580 /nfs/dbraw/zinc/51/95/80/585519580.db2.gz VRGSFMDKTGANEG-UHFFFAOYSA-N 0 3 249.398 3.258 20 0 BGADHN CC(C)CC1CCN(CCC(=O)C2CC2)CC1 ZINC000767415812 585519281 /nfs/dbraw/zinc/51/92/81/585519281.db2.gz PWWNSDQFPROVRX-UHFFFAOYSA-N 0 3 237.387 3.114 20 0 BGADHN C[C@H]1CN(CCC(=O)C2CC2)[C@H]1c1ccccc1 ZINC000767416923 584944969 /nfs/dbraw/zinc/94/49/69/584944969.db2.gz ZGBKAEPTFFMXBS-BLLLJJGKSA-N 0 3 243.350 3.049 20 0 BGADHN C[C@H]1CN(CCC(=O)C2CC2)[C@@H]1c1ccccc1 ZINC000767416924 584944924 /nfs/dbraw/zinc/94/49/24/584944924.db2.gz ZGBKAEPTFFMXBS-LRDDRELGSA-N 0 3 243.350 3.049 20 0 BGADHN C[C@@H]1CN(CCC(=O)C2CC2)[C@H]1c1ccccc1 ZINC000767416925 584944935 /nfs/dbraw/zinc/94/49/35/584944935.db2.gz ZGBKAEPTFFMXBS-MLGOLLRUSA-N 0 3 243.350 3.049 20 0 BGADHN C[C@@H]1CN(CCC(=O)C2CC2)[C@@H]1c1ccccc1 ZINC000767416926 584944975 /nfs/dbraw/zinc/94/49/75/584944975.db2.gz ZGBKAEPTFFMXBS-WBMJQRKESA-N 0 3 243.350 3.049 20 0 BGADHN CC(C)(C)C1=CCN(CCC(=O)C2CC2)CC1 ZINC000767538548 585522475 /nfs/dbraw/zinc/52/24/75/585522475.db2.gz UHRDZQLEXOBSNT-UHFFFAOYSA-N 0 3 235.371 3.034 20 0 BGADHN Cc1cc(CN(C)C2CCCCCCC2)nn1C ZINC000767889303 585527495 /nfs/dbraw/zinc/52/74/95/585527495.db2.gz KYLJAMLMEFWGSF-UHFFFAOYSA-N 0 3 249.402 3.273 20 0 BGADHN CCCN(C/C=C/Cl)C[C@H]1CCCCO1 ZINC000767891485 585527557 /nfs/dbraw/zinc/52/75/57/585527557.db2.gz FCPUPXMLMBYHQE-HOSRBBHYSA-N 0 3 231.767 3.020 20 0 BGADHN CCCN(C/C=C\Cl)C[C@@H]1CCCCO1 ZINC000767891491 585527510 /nfs/dbraw/zinc/52/75/10/585527510.db2.gz FCPUPXMLMBYHQE-HWPRWLFBSA-N 0 3 231.767 3.020 20 0 BGADHN CCCN(C/C=C/Cl)C[C@@H]1CCCCO1 ZINC000767891493 585527667 /nfs/dbraw/zinc/52/76/67/585527667.db2.gz FCPUPXMLMBYHQE-PZBABLGHSA-N 0 3 231.767 3.020 20 0 BGADHN CCCN(C/C=C\Cl)C[C@H]1CCCCO1 ZINC000767891495 585527513 /nfs/dbraw/zinc/52/75/13/585527513.db2.gz FCPUPXMLMBYHQE-SMYYYNMVSA-N 0 3 231.767 3.020 20 0 BGADHN FCCN1CCC[C@@H]1CCC1CCCC1 ZINC000767902022 585527355 /nfs/dbraw/zinc/52/73/55/585527355.db2.gz KTFNLSLKZNVOGA-CYBMUJFWSA-N 0 3 213.340 3.391 20 0 BGADHN FCCN1CCC[C@H]1CCC1CCCC1 ZINC000767902036 585527177 /nfs/dbraw/zinc/52/71/77/585527177.db2.gz KTFNLSLKZNVOGA-ZDUSSCGKSA-N 0 3 213.340 3.391 20 0 BGADHN FCCN1CCC[C@@H]1CCCc1ccccc1 ZINC000767908478 584947605 /nfs/dbraw/zinc/94/76/05/584947605.db2.gz UTZSIDVYWXQBNB-HNNXBMFYSA-N 0 3 235.346 3.443 20 0 BGADHN FCCN1CCC[C@H]1CCCc1ccccc1 ZINC000767908480 584947509 /nfs/dbraw/zinc/94/75/09/584947509.db2.gz UTZSIDVYWXQBNB-OAHLLOKOSA-N 0 3 235.346 3.443 20 0 BGADHN CC1(C)CN(C/C=C/Cl)CC(C)(C)C1 ZINC000767914859 585528037 /nfs/dbraw/zinc/52/80/37/585528037.db2.gz GDPPYEXJEKCKIA-AATRIKPKSA-N 0 3 215.768 3.497 20 0 BGADHN CC1(C)CN(C/C=C\Cl)CC(C)(C)C1 ZINC000767914860 585528250 /nfs/dbraw/zinc/52/82/50/585528250.db2.gz GDPPYEXJEKCKIA-WAYWQWQTSA-N 0 3 215.768 3.497 20 0 BGADHN c1oc(C2CC2)nc1CN[C@H]1CC2CCC1CC2 ZINC000767929205 585528342 /nfs/dbraw/zinc/52/83/42/585528342.db2.gz LRHQJVCHVZWHBL-MGULZYLOSA-N 0 3 246.354 3.220 20 0 BGADHN c1oc(C2CC2)nc1CN[C@@H]1CC2CCC1CC2 ZINC000767929206 585528524 /nfs/dbraw/zinc/52/85/24/585528524.db2.gz LRHQJVCHVZWHBL-QIMFLAQGSA-N 0 3 246.354 3.220 20 0 BGADHN C[C@@]1(Cc2ccccc2)CCCN1CCF ZINC000767934373 585528424 /nfs/dbraw/zinc/52/84/24/585528424.db2.gz GILASFZAXFPQPZ-AWEZNQCLSA-N 0 3 221.319 3.053 20 0 BGADHN C[C@]1(Cc2ccccc2)CCCN1CCF ZINC000767934390 585528608 /nfs/dbraw/zinc/52/86/08/585528608.db2.gz GILASFZAXFPQPZ-CQSZACIVSA-N 0 3 221.319 3.053 20 0 BGADHN CCCCN(C)Cc1cnc(Cl)c(C)c1 ZINC000768137626 585532920 /nfs/dbraw/zinc/53/29/20/585532920.db2.gz PYLIRPNTUJCUMZ-UHFFFAOYSA-N 0 3 226.751 3.275 20 0 BGADHN C[C@@H]1CCCCN1Cc1ccc2c(c1)COC2 ZINC000768142380 585532637 /nfs/dbraw/zinc/53/26/37/585532637.db2.gz CDACEVLKOCOPTJ-GFCCVEGCSA-N 0 3 231.339 3.091 20 0 BGADHN C[C@H]1CCCCN1Cc1ccc2c(c1)COC2 ZINC000768142381 585532617 /nfs/dbraw/zinc/53/26/17/585532617.db2.gz CDACEVLKOCOPTJ-LBPRGKRZSA-N 0 3 231.339 3.091 20 0 BGADHN CCOc1cccc(CN2CCCCCCC2)n1 ZINC000768142409 585532713 /nfs/dbraw/zinc/53/27/13/585532713.db2.gz COILMSHCMPVIKD-UHFFFAOYSA-N 0 3 248.370 3.246 20 0 BGADHN CCc1ncc(CN2CCCCCCC2)s1 ZINC000768142471 585533235 /nfs/dbraw/zinc/53/32/35/585533235.db2.gz DQFMWHOBMDVPQA-UHFFFAOYSA-N 0 3 238.400 3.472 20 0 BGADHN c1cc2c(c(CN3CCCCCCC3)c1)OCO2 ZINC000768143009 585533191 /nfs/dbraw/zinc/53/31/91/585533191.db2.gz KMCJMBDTZCKDBC-UHFFFAOYSA-N 0 3 247.338 3.181 20 0 BGADHN C[C@@H]1CN(Cc2ccn(C)c2)Cc2ccccc21 ZINC000768194807 585533899 /nfs/dbraw/zinc/53/38/99/585533899.db2.gz DYHIMQSVGYEUSW-CYBMUJFWSA-N 0 3 240.350 3.144 20 0 BGADHN C[C@H]1CN(Cc2ccn(C)c2)Cc2ccccc21 ZINC000768194808 585533740 /nfs/dbraw/zinc/53/37/40/585533740.db2.gz DYHIMQSVGYEUSW-ZDUSSCGKSA-N 0 3 240.350 3.144 20 0 BGADHN Cc1cncc([C@@H](C)N[C@H](C)Cc2ccco2)c1 ZINC000768197149 585533860 /nfs/dbraw/zinc/53/38/60/585533860.db2.gz IKZSHBWDGBLVHD-CHWSQXEVSA-N 0 3 244.338 3.265 20 0 BGADHN Cc1cncc([C@H](C)N[C@H](C)Cc2ccco2)c1 ZINC000768197150 585533764 /nfs/dbraw/zinc/53/37/64/585533764.db2.gz IKZSHBWDGBLVHD-OLZOCXBDSA-N 0 3 244.338 3.265 20 0 BGADHN Cc1cncc([C@@H](C)N[C@@H](C)Cc2ccco2)c1 ZINC000768197151 585533688 /nfs/dbraw/zinc/53/36/88/585533688.db2.gz IKZSHBWDGBLVHD-QWHCGFSZSA-N 0 3 244.338 3.265 20 0 BGADHN Cc1cncc([C@H](C)N[C@@H](C)Cc2ccco2)c1 ZINC000768197152 585533670 /nfs/dbraw/zinc/53/36/70/585533670.db2.gz IKZSHBWDGBLVHD-STQMWFEESA-N 0 3 244.338 3.265 20 0 BGADHN CC1CCC(N(C)Cc2ccoc2)CC1 ZINC000768199060 585533751 /nfs/dbraw/zinc/53/37/51/585533751.db2.gz WZHBBKYJADOABD-UHFFFAOYSA-N 0 3 207.317 3.290 20 0 BGADHN Cc1cc(CN(C)C2CCCC2)cnc1Cl ZINC000768214383 585534131 /nfs/dbraw/zinc/53/41/31/585534131.db2.gz HXPFFGWPUZYMNI-UHFFFAOYSA-N 0 3 238.762 3.418 20 0 BGADHN Cc1cncc([C@@H](C)N[C@@H](C)c2ccc[nH]2)c1 ZINC000768232101 585534467 /nfs/dbraw/zinc/53/44/67/585534467.db2.gz KJKTUSOQDZJVNJ-NEPJUHHUSA-N 0 3 229.327 3.130 20 0 BGADHN Cc1cncc([C@H](C)N[C@H](C)c2ccc[nH]2)c1 ZINC000768232105 585534296 /nfs/dbraw/zinc/53/42/96/585534296.db2.gz KJKTUSOQDZJVNJ-NWDGAFQWSA-N 0 3 229.327 3.130 20 0 BGADHN Cc1cncc([C@H](C)N[C@@H](C)c2ccc[nH]2)c1 ZINC000768232107 585534244 /nfs/dbraw/zinc/53/42/44/585534244.db2.gz KJKTUSOQDZJVNJ-RYUDHWBXSA-N 0 3 229.327 3.130 20 0 BGADHN Cc1cncc([C@@H](C)N[C@H](C)c2ccc[nH]2)c1 ZINC000768232124 585534583 /nfs/dbraw/zinc/53/45/83/585534583.db2.gz KJKTUSOQDZJVNJ-VXGBXAGGSA-N 0 3 229.327 3.130 20 0 BGADHN Cc1cc(CN2C3CCC2CC3)c(C)o1 ZINC000768232131 585534586 /nfs/dbraw/zinc/53/45/86/585534586.db2.gz YDZPQSRBYDDRRM-UHFFFAOYSA-N 0 3 205.301 3.023 20 0 BGADHN CCN(C)Cc1sc2nc(C)nc(C)c2c1C ZINC000768236826 585534577 /nfs/dbraw/zinc/53/45/77/585534577.db2.gz IDMHQFQALKBSFG-UHFFFAOYSA-N 0 3 249.383 3.068 20 0 BGADHN CCN(Cc1cnc(Cl)c(C)c1)C(C)C ZINC000768237370 585534556 /nfs/dbraw/zinc/53/45/56/585534556.db2.gz PXSHSMYVRSFGLK-UHFFFAOYSA-N 0 3 226.751 3.274 20 0 BGADHN Cc1cc(CN(C)CC(C)C)cnc1Cl ZINC000768246154 585534912 /nfs/dbraw/zinc/53/49/12/585534912.db2.gz UUWZMRIGBIIWOF-UHFFFAOYSA-N 0 3 226.751 3.131 20 0 BGADHN c1cc(CN(CCc2ccccc2)C2CC2)co1 ZINC000768251976 585534666 /nfs/dbraw/zinc/53/46/66/585534666.db2.gz CGIGRNDHXZMQHQ-UHFFFAOYSA-N 0 3 241.334 3.487 20 0 BGADHN c1cc(CN(C2CC2)C2CCCC2)co1 ZINC000768252010 585534853 /nfs/dbraw/zinc/53/48/53/585534853.db2.gz FWAYXJHYRPWXPF-UHFFFAOYSA-N 0 3 205.301 3.187 20 0 BGADHN CC(C)CCN(Cc1ccoc1)C1CC1 ZINC000768258185 585534915 /nfs/dbraw/zinc/53/49/15/585534915.db2.gz SNYJIQWKEKODHD-UHFFFAOYSA-N 0 3 207.317 3.290 20 0 BGADHN Cc1cc(CN(C)CCC(C)C)c(C)o1 ZINC000768263475 585534258 /nfs/dbraw/zinc/53/42/58/585534258.db2.gz QMZYVNBUYVQJJG-UHFFFAOYSA-N 0 3 209.333 3.374 20 0 BGADHN CCN(Cc1cnc(Cl)c(C)c1)C1CC1 ZINC000768290030 585535184 /nfs/dbraw/zinc/53/51/84/585535184.db2.gz ABVKWOCBPBMEHU-UHFFFAOYSA-N 0 3 224.735 3.028 20 0 BGADHN CCCN(Cc1cnc(Cl)c(C)c1)C1CC1 ZINC000768291658 585535043 /nfs/dbraw/zinc/53/50/43/585535043.db2.gz REDVDVSVOQIKBR-UHFFFAOYSA-N 0 3 238.762 3.418 20 0 BGADHN CCN(Cc1cncc2ccccc21)C1CC1 ZINC000768300358 585535583 /nfs/dbraw/zinc/53/55/83/585535583.db2.gz AQXDWVWVWFORFJ-UHFFFAOYSA-N 0 3 226.323 3.219 20 0 BGADHN CCN(Cc1cc2cccc(OC)c2o1)C1CC1 ZINC000768300384 585535384 /nfs/dbraw/zinc/53/53/84/585535384.db2.gz AXXJDJRHYGMHLP-UHFFFAOYSA-N 0 3 245.322 3.426 20 0 BGADHN COc1cccc2cc(CN(C)C3CC3)oc21 ZINC000768335465 585535900 /nfs/dbraw/zinc/53/59/00/585535900.db2.gz QDKLISCKQHJLSQ-UHFFFAOYSA-N 0 3 231.295 3.036 20 0 BGADHN CC[C@H](C)N(C)Cc1cnc(Cl)c(C)c1 ZINC000768339936 585535999 /nfs/dbraw/zinc/53/59/99/585535999.db2.gz WLIAOWOSUZYUHY-JTQLQIEISA-N 0 3 226.751 3.274 20 0 BGADHN CC[C@@H](C)N(C)Cc1cnc(Cl)c(C)c1 ZINC000768339937 585536165 /nfs/dbraw/zinc/53/61/65/585536165.db2.gz WLIAOWOSUZYUHY-SNVBAGLBSA-N 0 3 226.751 3.274 20 0 BGADHN c1cc(CN2CC[C@H](c3ccccc3)C2)co1 ZINC000768362030 585537090 /nfs/dbraw/zinc/53/70/90/585537090.db2.gz YERRWIMTJSJEEB-HNNXBMFYSA-N 0 3 227.307 3.269 20 0 BGADHN c1cc(CN2CC[C@@H](c3ccccc3)C2)co1 ZINC000768362031 585536933 /nfs/dbraw/zinc/53/69/33/585536933.db2.gz YERRWIMTJSJEEB-OAHLLOKOSA-N 0 3 227.307 3.269 20 0 BGADHN Cc1cc(CN(C)[C@@H](C)C2CC2)cnc1Cl ZINC000768423200 585538578 /nfs/dbraw/zinc/53/85/78/585538578.db2.gz XEJCOBPCVOWVAS-JTQLQIEISA-N 0 3 238.762 3.274 20 0 BGADHN Cc1cc(CN(C)[C@H](C)C2CC2)cnc1Cl ZINC000768423201 585538438 /nfs/dbraw/zinc/53/84/38/585538438.db2.gz XEJCOBPCVOWVAS-SNVBAGLBSA-N 0 3 238.762 3.274 20 0 BGADHN CCCN(Cc1coc(C2CC2)n1)CC(C)C ZINC000768478922 585539204 /nfs/dbraw/zinc/53/92/04/585539204.db2.gz PSBBFWMMVBZDSJ-UHFFFAOYSA-N 0 3 236.359 3.420 20 0 BGADHN Cc1cc(CN(C(C)C)C2CC2)cnc1Cl ZINC000768520177 585539459 /nfs/dbraw/zinc/53/94/59/585539459.db2.gz HCFLCATUMGBYMJ-UHFFFAOYSA-N 0 3 238.762 3.416 20 0 BGADHN CCC1(CC)CN(Cc2ccoc2)CCS1 ZINC000768528165 585539488 /nfs/dbraw/zinc/53/94/88/585539488.db2.gz IBKFYTKYYSKMBO-UHFFFAOYSA-N 0 3 239.384 3.387 20 0 BGADHN C[C@@H]1CCC[C@H](CNCc2cccc(F)n2)C1 ZINC000768626686 585541220 /nfs/dbraw/zinc/54/12/20/585541220.db2.gz PZUUYGAHNSXMEC-NEPJUHHUSA-N 0 3 236.334 3.137 20 0 BGADHN C[C@H]1CCC[C@@H](CNCc2cccc(F)n2)C1 ZINC000768626687 585541029 /nfs/dbraw/zinc/54/10/29/585541029.db2.gz PZUUYGAHNSXMEC-NWDGAFQWSA-N 0 3 236.334 3.137 20 0 BGADHN C[C@H]1CCC[C@H](CNCc2cccc(F)n2)C1 ZINC000768626688 585541078 /nfs/dbraw/zinc/54/10/78/585541078.db2.gz PZUUYGAHNSXMEC-RYUDHWBXSA-N 0 3 236.334 3.137 20 0 BGADHN C[C@@H]1CCC[C@@H](CNCc2cccc(F)n2)C1 ZINC000768626689 585540945 /nfs/dbraw/zinc/54/09/45/585540945.db2.gz PZUUYGAHNSXMEC-VXGBXAGGSA-N 0 3 236.334 3.137 20 0 BGADHN Fc1ccc(CNC2CC(C(F)F)C2)c(F)c1 ZINC000768687221 585541931 /nfs/dbraw/zinc/54/19/31/585541931.db2.gz MKZFTFHOUKDTNG-UHFFFAOYSA-N 0 3 247.235 3.098 20 0 BGADHN CC[C@H](C)CN(C)Cc1cc(C)oc1C ZINC000768771864 585543323 /nfs/dbraw/zinc/54/33/23/585543323.db2.gz WXAUSDVEPOFHPF-JTQLQIEISA-N 0 3 209.333 3.374 20 0 BGADHN CC[C@@H](C)CN(C)Cc1cc(C)oc1C ZINC000768771890 585543249 /nfs/dbraw/zinc/54/32/49/585543249.db2.gz WXAUSDVEPOFHPF-SNVBAGLBSA-N 0 3 209.333 3.374 20 0 BGADHN CC(C)CN(Cc1coc(C2CC2)n1)C(C)C ZINC000768780499 585543449 /nfs/dbraw/zinc/54/34/49/585543449.db2.gz WWWVJDMKUICIJO-UHFFFAOYSA-N 0 3 236.359 3.418 20 0 BGADHN Cc1cc(Cl)ccc1CSCCN(C)C ZINC000768802892 585543700 /nfs/dbraw/zinc/54/37/00/585543700.db2.gz HUMDFHIEHBYTCD-UHFFFAOYSA-N 0 3 243.803 3.443 20 0 BGADHN CCC1CCN(Cc2ccc3c(c2)COC3)CC1 ZINC000768932077 585546224 /nfs/dbraw/zinc/54/62/24/585546224.db2.gz WWBVLSCNFUQCKW-UHFFFAOYSA-N 0 3 245.366 3.339 20 0 BGADHN CC[C@@H]1CCCN1Cc1cnc(Cl)c(C)c1 ZINC000769006681 585547443 /nfs/dbraw/zinc/54/74/43/585547443.db2.gz GNUSQXOCBXBJPA-GFCCVEGCSA-N 0 3 238.762 3.418 20 0 BGADHN CC[C@H]1CCCN1Cc1cnc(Cl)c(C)c1 ZINC000769006687 585547381 /nfs/dbraw/zinc/54/73/81/585547381.db2.gz GNUSQXOCBXBJPA-LBPRGKRZSA-N 0 3 238.762 3.418 20 0 BGADHN CCN(CCc1ccccn1)Cc1ccc(C)o1 ZINC000769034389 585547889 /nfs/dbraw/zinc/54/78/89/585547889.db2.gz OWJBFSIKIVPHCB-UHFFFAOYSA-N 0 3 244.338 3.048 20 0 BGADHN CCN(CCc1ccccn1)Cc1ccsc1 ZINC000769039507 585547868 /nfs/dbraw/zinc/54/78/68/585547868.db2.gz WXAWBXZEQNDLSU-UHFFFAOYSA-N 0 3 246.379 3.208 20 0 BGADHN c1cc(CN2CCC(c3ccccn3)CC2)co1 ZINC000769104004 585549277 /nfs/dbraw/zinc/54/92/77/585549277.db2.gz GAFXJKFSOVVIND-UHFFFAOYSA-N 0 3 242.322 3.054 20 0 BGADHN Oc1ccc([C@@H]2CCCN2Cc2ccoc2)cc1 ZINC000769106770 585549193 /nfs/dbraw/zinc/54/91/93/585549193.db2.gz OBYUFCHWLWVTPV-HNNXBMFYSA-N 0 3 243.306 3.322 20 0 BGADHN Oc1ccc([C@H]2CCCN2Cc2ccoc2)cc1 ZINC000769106788 585549128 /nfs/dbraw/zinc/54/91/28/585549128.db2.gz OBYUFCHWLWVTPV-OAHLLOKOSA-N 0 3 243.306 3.322 20 0 BGADHN CCN(Cc1coc(C2CC2)n1)[C@H](C)C(C)C ZINC000769150501 585549935 /nfs/dbraw/zinc/54/99/35/585549935.db2.gz BQEMENXFLGLLAN-LLVKDONJSA-N 0 3 236.359 3.418 20 0 BGADHN CCN(Cc1coc(C2CC2)n1)[C@@H](C)C(C)C ZINC000769150502 585549981 /nfs/dbraw/zinc/54/99/81/585549981.db2.gz BQEMENXFLGLLAN-NSHDSACASA-N 0 3 236.359 3.418 20 0 BGADHN CN(Cc1coc(C2CC2)n1)C(C1CC1)C1CC1 ZINC000769192222 585551003 /nfs/dbraw/zinc/55/10/03/585551003.db2.gz KMSIQGHROLURKO-UHFFFAOYSA-N 0 3 246.354 3.172 20 0 BGADHN Cc1cc(Cl)ccc1CN1CC[C@H]2C[C@H]21 ZINC000769215724 585551381 /nfs/dbraw/zinc/55/13/81/585551381.db2.gz BXJGRWZTUFQFIA-GXFFZTMASA-N 0 3 221.731 3.243 20 0 BGADHN Cc1cc(Cl)ccc1CN1CC[C@@H]2C[C@@H]21 ZINC000769215727 585551350 /nfs/dbraw/zinc/55/13/50/585551350.db2.gz BXJGRWZTUFQFIA-MFKMUULPSA-N 0 3 221.731 3.243 20 0 BGADHN CCC1(C)CCN(Cc2ccoc2)CC1 ZINC000769232124 585551476 /nfs/dbraw/zinc/55/14/76/585551476.db2.gz FRZIWQJOSMUIPX-UHFFFAOYSA-N 0 3 207.317 3.292 20 0 BGADHN Cc1cc(CN2CCCC2(C)C)cnc1Cl ZINC000769242699 585551441 /nfs/dbraw/zinc/55/14/41/585551441.db2.gz KNUYRAFRBWXXCI-UHFFFAOYSA-N 0 3 238.762 3.418 20 0 BGADHN c1oc(C2CC2)nc1CN1CCC[C@H]1C1CCC1 ZINC000769245432 585551647 /nfs/dbraw/zinc/55/16/47/585551647.db2.gz RUBHJXCFZNRUGL-AWEZNQCLSA-N 0 3 246.354 3.317 20 0 BGADHN c1oc(C2CC2)nc1CN1CCC[C@@H]1C1CCC1 ZINC000769245433 585551611 /nfs/dbraw/zinc/55/16/11/585551611.db2.gz RUBHJXCFZNRUGL-CQSZACIVSA-N 0 3 246.354 3.317 20 0 BGADHN Fc1cccc([C@H]2CCN(Cc3ccoc3)C2)c1 ZINC000769338082 585554156 /nfs/dbraw/zinc/55/41/56/585554156.db2.gz KMTXMNUKXRQFDX-AWEZNQCLSA-N 0 3 245.297 3.408 20 0 BGADHN Fc1cccc([C@@H]2CCN(Cc3ccoc3)C2)c1 ZINC000769338083 585554323 /nfs/dbraw/zinc/55/43/23/585554323.db2.gz KMTXMNUKXRQFDX-CQSZACIVSA-N 0 3 245.297 3.408 20 0 BGADHN Fc1ccccc1[C@@H]1CCN(Cc2ccoc2)C1 ZINC000769379832 585555160 /nfs/dbraw/zinc/55/51/60/585555160.db2.gz OGVWXRXGJTXRHO-CYBMUJFWSA-N 0 3 245.297 3.408 20 0 BGADHN Fc1ccccc1[C@H]1CCN(Cc2ccoc2)C1 ZINC000769379833 585554956 /nfs/dbraw/zinc/55/49/56/585554956.db2.gz OGVWXRXGJTXRHO-ZDUSSCGKSA-N 0 3 245.297 3.408 20 0 BGADHN CCC(C)(C)N(C)Cc1nc2ccccc2[nH]1 ZINC000769383148 585555066 /nfs/dbraw/zinc/55/50/66/585555066.db2.gz ZNHUEIGDMACKOR-UHFFFAOYSA-N 0 3 231.343 3.183 20 0 BGADHN COc1cccc2cc(CN3CCC[C@H]3C)oc21 ZINC000769388778 585555301 /nfs/dbraw/zinc/55/53/01/585555301.db2.gz GPFKBRALMKZARQ-LLVKDONJSA-N 0 3 245.322 3.426 20 0 BGADHN COc1cccc2cc(CN3CCC[C@@H]3C)oc21 ZINC000769388780 585555232 /nfs/dbraw/zinc/55/52/32/585555232.db2.gz GPFKBRALMKZARQ-NSHDSACASA-N 0 3 245.322 3.426 20 0 BGADHN Cc1cc(CN2CC[C@@H](c3ccco3)C2)c(C)o1 ZINC000769389700 585555477 /nfs/dbraw/zinc/55/54/77/585555477.db2.gz NMXLUECCYGNIGN-CYBMUJFWSA-N 0 3 245.322 3.479 20 0 BGADHN Cc1cc(CN2CC[C@H](c3ccco3)C2)c(C)o1 ZINC000769389701 585555205 /nfs/dbraw/zinc/55/52/05/585555205.db2.gz NMXLUECCYGNIGN-ZDUSSCGKSA-N 0 3 245.322 3.479 20 0 BGADHN CCC1(CC)CCN(Cc2ccoc2)C1 ZINC000769398091 585555410 /nfs/dbraw/zinc/55/54/10/585555410.db2.gz FZITUUVSPYCMTJ-UHFFFAOYSA-N 0 3 207.317 3.292 20 0 BGADHN CCN(Cc1cnc(Cl)c(C)c1)CC1CC1 ZINC000769405421 585555650 /nfs/dbraw/zinc/55/56/50/585555650.db2.gz VFAFSOKNOZKTNS-UHFFFAOYSA-N 0 3 238.762 3.275 20 0 BGADHN Cc1cc(CN(C)C2CCC2)cnc1Cl ZINC000769442343 585556294 /nfs/dbraw/zinc/55/62/94/585556294.db2.gz JCEMQDKEUFCRII-UHFFFAOYSA-N 0 3 224.735 3.028 20 0 BGADHN CC1(C)CCN1Cc1cncc2ccccc21 ZINC000769445138 585556751 /nfs/dbraw/zinc/55/67/51/585556751.db2.gz CXWFPRHFAXKOPY-UHFFFAOYSA-N 0 3 226.323 3.219 20 0 BGADHN CC1(C)CCN1Cc1nccc2ccccc21 ZINC000769445232 585556768 /nfs/dbraw/zinc/55/67/68/585556768.db2.gz DWYCRACXIMSOOF-UHFFFAOYSA-N 0 3 226.323 3.219 20 0 BGADHN CC1(C)CCN1Cc1cnc2ccccc2c1 ZINC000769445356 585556675 /nfs/dbraw/zinc/55/66/75/585556675.db2.gz GBTINAMAZJLIKP-UHFFFAOYSA-N 0 3 226.323 3.219 20 0 BGADHN CC1=CCN(Cc2cncc3ccccc32)CC1 ZINC000769445560 585556976 /nfs/dbraw/zinc/55/69/76/585556976.db2.gz GFSYQSHTTULBJQ-UHFFFAOYSA-N 0 3 238.334 3.387 20 0 BGADHN Cc1cc(CN2CC=C(C)CC2)c(C)o1 ZINC000769446264 585556542 /nfs/dbraw/zinc/55/65/42/585556542.db2.gz LNQDAHNSUFTEAM-UHFFFAOYSA-N 0 3 205.301 3.048 20 0 BGADHN Cc1cc(CN2CCC(C(F)F)CC2)c(C)o1 ZINC000769446475 585556544 /nfs/dbraw/zinc/55/65/44/585556544.db2.gz QNWBMXFIMNTDMO-UHFFFAOYSA-N 0 3 243.297 3.374 20 0 BGADHN Cc1cc(CN2CCS[C@@H](C)[C@H]2C)c(C)o1 ZINC000769447738 585556800 /nfs/dbraw/zinc/55/68/00/585556800.db2.gz WUPWXKLPXQVIPB-PWSUYJOCSA-N 0 3 239.384 3.222 20 0 BGADHN Cc1cc(CN2CCS[C@H](C)[C@H]2C)c(C)o1 ZINC000769447746 585556426 /nfs/dbraw/zinc/55/64/26/585556426.db2.gz WUPWXKLPXQVIPB-ZYHUDNBSSA-N 0 3 239.384 3.222 20 0 BGADHN Cc1cc(CN2C[C@@H](C)[C@H](C)C2)cnc1Cl ZINC000769448641 585556784 /nfs/dbraw/zinc/55/67/84/585556784.db2.gz VJCHWLACULIMGK-GHMZBOCLSA-N 0 3 238.762 3.131 20 0 BGADHN Cc1cc(CN2C[C@H](C)[C@H](C)C2)cnc1Cl ZINC000769448644 585556671 /nfs/dbraw/zinc/55/66/71/585556671.db2.gz VJCHWLACULIMGK-PHIMTYICSA-N 0 3 238.762 3.131 20 0 BGADHN Cc1cc(CN2C[C@H](C)[C@@H](C)C2)cnc1Cl ZINC000769448648 585557012 /nfs/dbraw/zinc/55/70/12/585557012.db2.gz VJCHWLACULIMGK-QWRGUYRKSA-N 0 3 238.762 3.131 20 0 BGADHN c1oc(C2CC2)nc1CN(CC1CC1)CC1CC1 ZINC000769450464 585557019 /nfs/dbraw/zinc/55/70/19/585557019.db2.gz DFVARDPGMQDQSQ-UHFFFAOYSA-N 0 3 246.354 3.174 20 0 BGADHN C/C(=C/c1ccccc1)CN1CCOC[C@H](C)C1 ZINC000769454951 585557767 /nfs/dbraw/zinc/55/77/67/585557767.db2.gz BLWHKRMTRPJETK-BAAYTWLHSA-N 0 3 245.366 3.058 20 0 BGADHN C/C(=C/c1ccccc1)CN1CCOC[C@@H](C)C1 ZINC000769454952 585557646 /nfs/dbraw/zinc/55/76/46/585557646.db2.gz BLWHKRMTRPJETK-LTBFUDJGSA-N 0 3 245.366 3.058 20 0 BGADHN C[C@H]1COCCN(Cc2ccccc2C2CC2)C1 ZINC000769454969 585557544 /nfs/dbraw/zinc/55/75/44/585557544.db2.gz BWOMBUIULLAZIC-CYBMUJFWSA-N 0 3 245.366 3.032 20 0 BGADHN C[C@@H]1COCCN(Cc2ccccc2C2CC2)C1 ZINC000769454970 585557302 /nfs/dbraw/zinc/55/73/02/585557302.db2.gz BWOMBUIULLAZIC-ZDUSSCGKSA-N 0 3 245.366 3.032 20 0 BGADHN Cc1cc(CN(C)CCCOC(C)C)c(C)o1 ZINC000769463719 585557526 /nfs/dbraw/zinc/55/75/26/585557526.db2.gz PILLDRSRBGGDCC-UHFFFAOYSA-N 0 3 239.359 3.143 20 0 BGADHN CC[C@@H]1CCCN(Cc2ccoc2)CC1 ZINC000769464366 585556353 /nfs/dbraw/zinc/55/63/53/585556353.db2.gz VLXFERZCCVFVBB-GFCCVEGCSA-N 0 3 207.317 3.292 20 0 BGADHN CC[C@H]1CCCN(Cc2ccoc2)CC1 ZINC000769464368 585556496 /nfs/dbraw/zinc/55/64/96/585556496.db2.gz VLXFERZCCVFVBB-LBPRGKRZSA-N 0 3 207.317 3.292 20 0 BGADHN CCN(Cc1cnc(Cl)c(C)c1)C1CCC1 ZINC000769466969 585557778 /nfs/dbraw/zinc/55/77/78/585557778.db2.gz RHGUEYAGRLMOLP-UHFFFAOYSA-N 0 3 238.762 3.418 20 0 BGADHN CCN(Cc1cc(C)oc1C)C1CCC1 ZINC000769467721 585558014 /nfs/dbraw/zinc/55/80/14/585558014.db2.gz ZYIVHEQZTSJVPH-UHFFFAOYSA-N 0 3 207.317 3.271 20 0 BGADHN Cc1cc(CN2C[C@@H](C)C[C@H]2C)cnc1Cl ZINC000769469710 585558063 /nfs/dbraw/zinc/55/80/63/585558063.db2.gz DAVZDJZQELCUAQ-GXSJLCMTSA-N 0 3 238.762 3.274 20 0 BGADHN Cc1cc(CN2C[C@H](C)C[C@@H]2C)cnc1Cl ZINC000769469711 585557783 /nfs/dbraw/zinc/55/77/83/585557783.db2.gz DAVZDJZQELCUAQ-KOLCDFICSA-N 0 3 238.762 3.274 20 0 BGADHN Cc1cc(CN2C[C@H](C)C[C@H]2C)cnc1Cl ZINC000769469712 585556828 /nfs/dbraw/zinc/55/68/28/585556828.db2.gz DAVZDJZQELCUAQ-MWLCHTKSSA-N 0 3 238.762 3.274 20 0 BGADHN Cc1cc(CN2C[C@@H](C)C[C@@H]2C)cnc1Cl ZINC000769469713 585556703 /nfs/dbraw/zinc/55/67/03/585556703.db2.gz DAVZDJZQELCUAQ-ONGXEEELSA-N 0 3 238.762 3.274 20 0 BGADHN c1cc(CN2CCS[C@@H]3CCCC[C@H]32)co1 ZINC000769498037 585558389 /nfs/dbraw/zinc/55/83/89/585558389.db2.gz KDVGTEIXSLSFPO-CHWSQXEVSA-N 0 3 237.368 3.140 20 0 BGADHN c1cc(CN2CCS[C@H]3CCCC[C@H]32)co1 ZINC000769498039 585558448 /nfs/dbraw/zinc/55/84/48/585558448.db2.gz KDVGTEIXSLSFPO-OLZOCXBDSA-N 0 3 237.368 3.140 20 0 BGADHN c1cc(CN2C3CCCC2CCC3)co1 ZINC000769498075 585558275 /nfs/dbraw/zinc/55/82/75/585558275.db2.gz FBGWEHBFXBMTKR-UHFFFAOYSA-N 0 3 205.301 3.187 20 0 BGADHN c1cc(CN2CC[C@H]2Cc2ccccc2)co1 ZINC000769505567 585558359 /nfs/dbraw/zinc/55/83/59/585558359.db2.gz GMZFBAHOPIOQNF-HNNXBMFYSA-N 0 3 227.307 3.097 20 0 BGADHN c1cc(CN2CC[C@@H]2Cc2ccccc2)co1 ZINC000769505568 585558481 /nfs/dbraw/zinc/55/84/81/585558481.db2.gz GMZFBAHOPIOQNF-OAHLLOKOSA-N 0 3 227.307 3.097 20 0 BGADHN Cc1cccc(F)c1CNC1CC(C(F)F)C1 ZINC000769526290 585558672 /nfs/dbraw/zinc/55/86/72/585558672.db2.gz CHYPWXQYOIVRPA-UHFFFAOYSA-N 0 3 243.272 3.267 20 0 BGADHN CCC(=O)CCN(C)Cc1cc(C)cc(C)c1 ZINC000769844637 585565214 /nfs/dbraw/zinc/56/52/14/585565214.db2.gz ARVZUYHCOYKFKG-UHFFFAOYSA-N 0 3 233.355 3.104 20 0 BGADHN Cc1cc(C)cc(CN(C)CCC(=O)C2CC2)c1 ZINC000769847441 585565185 /nfs/dbraw/zinc/56/51/85/585565185.db2.gz RZPOYLSVKFMQPB-UHFFFAOYSA-N 0 3 245.366 3.104 20 0 BGADHN CCc1noc(C)c1[C@H](C)NCCc1ccco1 ZINC000769859858 585565527 /nfs/dbraw/zinc/56/55/27/585565527.db2.gz IMNHZOQEVCWKOY-JTQLQIEISA-N 0 3 248.326 3.032 20 0 BGADHN CCc1noc(C)c1[C@@H](C)NCCc1ccco1 ZINC000769859869 585565473 /nfs/dbraw/zinc/56/54/73/585565473.db2.gz IMNHZOQEVCWKOY-SNVBAGLBSA-N 0 3 248.326 3.032 20 0 BGADHN CCc1noc(C)c1[C@@H](C)NC[C@@H](C)C1CC1 ZINC000769875444 585565761 /nfs/dbraw/zinc/56/57/61/585565761.db2.gz UJRNZOIJCUDISH-NXEZZACHSA-N 0 3 236.359 3.242 20 0 BGADHN CCc1noc(C)c1[C@H](C)NC[C@H](C)C1CC1 ZINC000769875446 585565835 /nfs/dbraw/zinc/56/58/35/585565835.db2.gz UJRNZOIJCUDISH-UWVGGRQHSA-N 0 3 236.359 3.242 20 0 BGADHN CCc1noc(C)c1[C@@H](C)NC[C@H](C)C1CC1 ZINC000769875448 585566013 /nfs/dbraw/zinc/56/60/13/585566013.db2.gz UJRNZOIJCUDISH-VHSXEESVSA-N 0 3 236.359 3.242 20 0 BGADHN CCc1noc(C)c1[C@H](C)NC[C@@H](C)C1CC1 ZINC000769875450 585565741 /nfs/dbraw/zinc/56/57/41/585565741.db2.gz UJRNZOIJCUDISH-ZJUUUORDSA-N 0 3 236.359 3.242 20 0 BGADHN CCc1noc(C)c1[C@H](C)NCC1CCCC1 ZINC000769877490 585565862 /nfs/dbraw/zinc/56/58/62/585565862.db2.gz XIJXELMPFNPUMG-JTQLQIEISA-N 0 3 236.359 3.386 20 0 BGADHN CCc1noc(C)c1[C@@H](C)NCC1CCCC1 ZINC000769877491 585565824 /nfs/dbraw/zinc/56/58/24/585565824.db2.gz XIJXELMPFNPUMG-SNVBAGLBSA-N 0 3 236.359 3.386 20 0 BGADHN CC(C)C(NCc1coc(C2CC2)n1)C(C)C ZINC000769927121 585566695 /nfs/dbraw/zinc/56/66/95/585566695.db2.gz FCGBHHVHLAJOAW-UHFFFAOYSA-N 0 3 236.359 3.322 20 0 BGADHN Cc1cc(CN2CC[C@H](C)[C@H]2C)cnc1Cl ZINC000770284424 585572397 /nfs/dbraw/zinc/57/23/97/585572397.db2.gz QPMSMVQQONWUPC-GXSJLCMTSA-N 0 3 238.762 3.274 20 0 BGADHN Cc1cc(CN2CC[C@@H](C)[C@@H]2C)cnc1Cl ZINC000770284439 585572579 /nfs/dbraw/zinc/57/25/79/585572579.db2.gz QPMSMVQQONWUPC-KOLCDFICSA-N 0 3 238.762 3.274 20 0 BGADHN Cc1cc(CN2CC[C@@H](C)[C@H]2C)cnc1Cl ZINC000770284440 585572357 /nfs/dbraw/zinc/57/23/57/585572357.db2.gz QPMSMVQQONWUPC-MWLCHTKSSA-N 0 3 238.762 3.274 20 0 BGADHN Cc1cc(CN2CC[C@H](C)[C@@H]2C)cnc1Cl ZINC000770284441 585572532 /nfs/dbraw/zinc/57/25/32/585572532.db2.gz QPMSMVQQONWUPC-ONGXEEELSA-N 0 3 238.762 3.274 20 0 BGADHN Cc1cc(CN2[C@H](C)CC[C@H]2C)cnc1Cl ZINC000770312070 712414372 /nfs/dbraw/zinc/41/43/72/712414372.db2.gz VSICHYBQAWCXBM-GHMZBOCLSA-N 0 3 238.762 3.416 20 0 BGADHN Cc1cc(CN2[C@H](C)CC[C@@H]2C)cnc1Cl ZINC000770312071 712414360 /nfs/dbraw/zinc/41/43/60/712414360.db2.gz VSICHYBQAWCXBM-PHIMTYICSA-N 0 3 238.762 3.416 20 0 BGADHN Cc1cc(CN2[C@@H](C)CC[C@@H]2C)cnc1Cl ZINC000770312073 585572407 /nfs/dbraw/zinc/57/24/07/585572407.db2.gz VSICHYBQAWCXBM-QWRGUYRKSA-N 0 3 238.762 3.416 20 0 BGADHN CC(C)CC1CCN(Cc2ccn(C)c2)CC1 ZINC000770352755 585572927 /nfs/dbraw/zinc/57/29/27/585572927.db2.gz LYMZHSXRVOVELE-UHFFFAOYSA-N 0 3 234.387 3.283 20 0 BGADHN CC(C)CC1CCN(Cc2cccn2C)CC1 ZINC000770355244 585573182 /nfs/dbraw/zinc/57/31/82/585573182.db2.gz TZHHGKOCDWFSCK-UHFFFAOYSA-N 0 3 234.387 3.283 20 0 BGADHN Cc1cc(CN(C)CCC2CC2)cnc1Cl ZINC000770374347 585573256 /nfs/dbraw/zinc/57/32/56/585573256.db2.gz MIKPZOCSFVUAJI-UHFFFAOYSA-N 0 3 238.762 3.275 20 0 BGADHN c1cc(CN2[C@H]3C=CC[C@@H]2CC3)cc2c1COC2 ZINC000770380914 585573345 /nfs/dbraw/zinc/57/33/45/585573345.db2.gz ITULXACULXPLPH-JKSUJKDBSA-N 0 3 241.334 3.010 20 0 BGADHN c1ccc2c(c1)cncc2CN1CCCCC1 ZINC000770394096 585573641 /nfs/dbraw/zinc/57/36/41/585573641.db2.gz FHYUXANKJFWTOR-UHFFFAOYSA-N 0 3 226.323 3.221 20 0 BGADHN Cc1ccc(NCc2ccoc2)c(CN(C)C)c1 ZINC000770578033 585576792 /nfs/dbraw/zinc/57/67/92/585576792.db2.gz ZFCOCIRWIDMEFS-UHFFFAOYSA-N 0 3 244.338 3.262 20 0 BGADHN Cc1cc(CN2CCCC3(CC3)C2)c(C)o1 ZINC000770673811 585579619 /nfs/dbraw/zinc/57/96/19/585579619.db2.gz IZWGBSGFHPWJDS-UHFFFAOYSA-N 0 3 219.328 3.272 20 0 BGADHN c1cc(CN2CCCC3(CC3)C2)cc2c1COC2 ZINC000770674842 585579486 /nfs/dbraw/zinc/57/94/86/585579486.db2.gz NEBPBQQIYVMGNT-UHFFFAOYSA-N 0 3 243.350 3.093 20 0 BGADHN ClC1(Cl)C[C@@H]1CN1CCCC2(CC2)C1 ZINC000770698216 585580269 /nfs/dbraw/zinc/58/02/69/585580269.db2.gz DANVQLBGIHNRNR-SECBINFHSA-N 0 3 234.170 3.056 20 0 BGADHN ClC1(Cl)C[C@H]1CN1CCCC2(CC2)C1 ZINC000770698218 585580392 /nfs/dbraw/zinc/58/03/92/585580392.db2.gz DANVQLBGIHNRNR-VIFPVBQESA-N 0 3 234.170 3.056 20 0 BGADHN Cc1ccccc1OCCN1CCCC2(CC2)C1 ZINC000770699061 585580194 /nfs/dbraw/zinc/58/01/94/585580194.db2.gz GXPUHBQJJJAKKJ-UHFFFAOYSA-N 0 3 245.366 3.250 20 0 BGADHN Cc1ccc(OCCN2CCCC3(CC3)C2)cc1 ZINC000770700938 585580350 /nfs/dbraw/zinc/58/03/50/585580350.db2.gz NFCLVNNBQQNBFK-UHFFFAOYSA-N 0 3 245.366 3.250 20 0 BGADHN CCCN(CCC(C)=O)Cc1ccc(C)cc1 ZINC000771062513 585589486 /nfs/dbraw/zinc/58/94/86/585589486.db2.gz AFYPIZWOKGDSJS-UHFFFAOYSA-N 0 3 233.355 3.186 20 0 BGADHN c1cc(CNCCc2cc3ccccc3[nH]2)co1 ZINC000771200003 585591503 /nfs/dbraw/zinc/59/15/03/585591503.db2.gz MVCUBEBARSBACZ-UHFFFAOYSA-N 0 3 240.306 3.093 20 0 BGADHN CCOc1cccc(CCNCc2ccoc2)c1 ZINC000771202934 585591558 /nfs/dbraw/zinc/59/15/58/585591558.db2.gz BTPWZLUTIOAWMM-UHFFFAOYSA-N 0 3 245.322 3.011 20 0 BGADHN Cc1cnc([C@@H](C)N2CCCCCCC2)o1 ZINC000771442972 585594344 /nfs/dbraw/zinc/59/43/44/585594344.db2.gz FSZNNSBMGISRRP-GFCCVEGCSA-N 0 3 222.332 3.310 20 0 BGADHN Cc1cnc([C@H](C)N2CCCCCCC2)o1 ZINC000771442973 585594392 /nfs/dbraw/zinc/59/43/92/585594392.db2.gz FSZNNSBMGISRRP-LBPRGKRZSA-N 0 3 222.332 3.310 20 0 BGADHN Cc1cnc([C@@H](C)N2CCC3(CCCC3)C2)o1 ZINC000771448552 585594246 /nfs/dbraw/zinc/59/42/46/585594246.db2.gz YWYDEEHKPVYCEJ-GFCCVEGCSA-N 0 3 234.343 3.310 20 0 BGADHN Cc1cnc([C@H](C)N2CCC3(CCCC3)C2)o1 ZINC000771448554 585594419 /nfs/dbraw/zinc/59/44/19/585594419.db2.gz YWYDEEHKPVYCEJ-LBPRGKRZSA-N 0 3 234.343 3.310 20 0 BGADHN C[C@@H]1CCN(C/C=C/Cl)CC12CCC2 ZINC000771461413 585594703 /nfs/dbraw/zinc/59/47/03/585594703.db2.gz FOGBPLPFZFMCDJ-CGAJTASUSA-N 0 3 213.752 3.251 20 0 BGADHN C[C@@H]1CCN(C/C=C\Cl)CC12CCC2 ZINC000771461428 585594630 /nfs/dbraw/zinc/59/46/30/585594630.db2.gz FOGBPLPFZFMCDJ-KGHNQEBZSA-N 0 3 213.752 3.251 20 0 BGADHN C[C@H]1CCN(C/C=C/Cl)CC12CCC2 ZINC000771461470 585594905 /nfs/dbraw/zinc/59/49/05/585594905.db2.gz FOGBPLPFZFMCDJ-KTROKBFUSA-N 0 3 213.752 3.251 20 0 BGADHN C[C@H]1CCN(C/C=C\Cl)CC12CCC2 ZINC000771461472 585594601 /nfs/dbraw/zinc/59/46/01/585594601.db2.gz FOGBPLPFZFMCDJ-UFVHFEBBSA-N 0 3 213.752 3.251 20 0 BGADHN CC(C)c1cnc(CN[C@H]2CCCC[C@H]2C)o1 ZINC000771791375 585600124 /nfs/dbraw/zinc/60/01/24/585600124.db2.gz KBFFWOFSNSJTOF-NEPJUHHUSA-N 0 3 236.359 3.466 20 0 BGADHN CC(C)c1cnc(CN[C@@H]2CCCC[C@@H]2C)o1 ZINC000771791376 585600170 /nfs/dbraw/zinc/60/01/70/585600170.db2.gz KBFFWOFSNSJTOF-NWDGAFQWSA-N 0 3 236.359 3.466 20 0 BGADHN CC(C)c1cnc(CN[C@H]2CCCC[C@@H]2C)o1 ZINC000771791377 585600078 /nfs/dbraw/zinc/60/00/78/585600078.db2.gz KBFFWOFSNSJTOF-RYUDHWBXSA-N 0 3 236.359 3.466 20 0 BGADHN CC(C)c1cnc(CN[C@@H]2CCCC[C@H]2C)o1 ZINC000771791378 585600206 /nfs/dbraw/zinc/60/02/06/585600206.db2.gz KBFFWOFSNSJTOF-VXGBXAGGSA-N 0 3 236.359 3.466 20 0 BGADHN CCCN(CC)Cc1cnc(Cl)c(C)c1 ZINC000771935800 585604904 /nfs/dbraw/zinc/60/49/04/585604904.db2.gz YBKNBZQLZOZNGE-UHFFFAOYSA-N 0 3 226.751 3.275 20 0 BGADHN c1cc(CNCC2(Cc3ccccc3)CC2)co1 ZINC000771997017 585606498 /nfs/dbraw/zinc/60/64/98/585606498.db2.gz ZTLXFPLMILIQFQ-UHFFFAOYSA-N 0 3 241.334 3.392 20 0 BGADHN CCN(CC)CCOC(=O)C(CC)(CC)CC ZINC000772184912 585609751 /nfs/dbraw/zinc/60/97/51/585609751.db2.gz VUFZVWLFSMVRAY-UHFFFAOYSA-N 0 3 243.391 3.088 20 0 BGADHN Cc1ccncc1[C@@H](C)N[C@H](C)Cc1ccco1 ZINC000772445893 585615582 /nfs/dbraw/zinc/61/55/82/585615582.db2.gz VGCYXYLYCPKFAM-CHWSQXEVSA-N 0 3 244.338 3.265 20 0 BGADHN Cc1ccncc1[C@H](C)N[C@H](C)Cc1ccco1 ZINC000772445894 585615656 /nfs/dbraw/zinc/61/56/56/585615656.db2.gz VGCYXYLYCPKFAM-OLZOCXBDSA-N 0 3 244.338 3.265 20 0 BGADHN Cc1ccncc1[C@@H](C)N[C@@H](C)Cc1ccco1 ZINC000772445895 585615672 /nfs/dbraw/zinc/61/56/72/585615672.db2.gz VGCYXYLYCPKFAM-QWHCGFSZSA-N 0 3 244.338 3.265 20 0 BGADHN Cc1ccncc1[C@H](C)N[C@@H](C)Cc1ccco1 ZINC000772445896 585615776 /nfs/dbraw/zinc/61/57/76/585615776.db2.gz VGCYXYLYCPKFAM-STQMWFEESA-N 0 3 244.338 3.265 20 0 BGADHN CCc1noc(C)c1[C@H](C)N[C@@H]1CC=CCC1 ZINC000773000411 585629335 /nfs/dbraw/zinc/62/93/35/585629335.db2.gz MFFBJQPQRLJSTH-CMPLNLGQSA-N 0 3 234.343 3.305 20 0 BGADHN CCc1noc(C)c1[C@H](C)N[C@H]1CC=CCC1 ZINC000773000414 585629327 /nfs/dbraw/zinc/62/93/27/585629327.db2.gz MFFBJQPQRLJSTH-JQWIXIFHSA-N 0 3 234.343 3.305 20 0 BGADHN CCc1noc(C)c1[C@@H](C)N[C@H]1CC=CCC1 ZINC000773000417 585629106 /nfs/dbraw/zinc/62/91/06/585629106.db2.gz MFFBJQPQRLJSTH-PWSUYJOCSA-N 0 3 234.343 3.305 20 0 BGADHN CCc1noc(C)c1[C@@H](C)N[C@@H]1CC=CCC1 ZINC000773000420 585629330 /nfs/dbraw/zinc/62/93/30/585629330.db2.gz MFFBJQPQRLJSTH-ZYHUDNBSSA-N 0 3 234.343 3.305 20 0 BGADHN CCc1noc(C)c1[C@H](C)NCCCC1CC1 ZINC000773002395 585629307 /nfs/dbraw/zinc/62/93/07/585629307.db2.gz RGZNNRRJWLABPN-JTQLQIEISA-N 0 3 236.359 3.386 20 0 BGADHN CCc1noc(C)c1[C@@H](C)NCCCC1CC1 ZINC000773002396 585629222 /nfs/dbraw/zinc/62/92/22/585629222.db2.gz RGZNNRRJWLABPN-SNVBAGLBSA-N 0 3 236.359 3.386 20 0 BGADHN CCc1noc(C)c1[C@H](C)NCCC1CCC1 ZINC000773037910 585629871 /nfs/dbraw/zinc/62/98/71/585629871.db2.gz WDYSHHVHCOFHBQ-JTQLQIEISA-N 0 3 236.359 3.386 20 0 BGADHN CCc1noc(C)c1[C@@H](C)NCCC1CCC1 ZINC000773037912 585630063 /nfs/dbraw/zinc/63/00/63/585630063.db2.gz WDYSHHVHCOFHBQ-SNVBAGLBSA-N 0 3 236.359 3.386 20 0 BGADHN CCc1noc(C)c1[C@H](C)NCC1(C)CCC1 ZINC000773048114 585630191 /nfs/dbraw/zinc/63/01/91/585630191.db2.gz PTOOPXKYRHQCEW-JTQLQIEISA-N 0 3 236.359 3.386 20 0 BGADHN CCc1noc(C)c1[C@@H](C)NCC1(C)CCC1 ZINC000773048121 585630122 /nfs/dbraw/zinc/63/01/22/585630122.db2.gz PTOOPXKYRHQCEW-SNVBAGLBSA-N 0 3 236.359 3.386 20 0 BGADHN CCc1noc(C)c1[C@H](C)NCC1(CC)CC1 ZINC000773052345 585630101 /nfs/dbraw/zinc/63/01/01/585630101.db2.gz ZDLWWGSZNYWFFE-JTQLQIEISA-N 0 3 236.359 3.386 20 0 BGADHN CCc1noc(C)c1[C@@H](C)NCC1(CC)CC1 ZINC000773052347 585630135 /nfs/dbraw/zinc/63/01/35/585630135.db2.gz ZDLWWGSZNYWFFE-SNVBAGLBSA-N 0 3 236.359 3.386 20 0 BGADHN CC1(C)CCCC[C@H]1NCc1cccc(F)n1 ZINC000773084071 585630958 /nfs/dbraw/zinc/63/09/58/585630958.db2.gz AXJBPVOHWXYCEX-GFCCVEGCSA-N 0 3 236.334 3.279 20 0 BGADHN CC1(C)CCCC[C@@H]1NCc1cccc(F)n1 ZINC000773084083 585630868 /nfs/dbraw/zinc/63/08/68/585630868.db2.gz AXJBPVOHWXYCEX-LBPRGKRZSA-N 0 3 236.334 3.279 20 0 BGADHN CC(C)=CCC[C@@H](C)NCc1cccc(F)n1 ZINC000773085350 585630996 /nfs/dbraw/zinc/63/09/96/585630996.db2.gz HMUKNWXFGLYNAA-GFCCVEGCSA-N 0 3 236.334 3.445 20 0 BGADHN CC(C)=CCC[C@H](C)NCc1cccc(F)n1 ZINC000773085354 585631064 /nfs/dbraw/zinc/63/10/64/585631064.db2.gz HMUKNWXFGLYNAA-LBPRGKRZSA-N 0 3 236.334 3.445 20 0 BGADHN Fc1cccc(CN[C@@H]2CCC[C@@H](C3CC3)C2)n1 ZINC000773086413 585631170 /nfs/dbraw/zinc/63/11/70/585631170.db2.gz IVBHNGPVUNGYKY-CHWSQXEVSA-N 0 3 248.345 3.279 20 0 BGADHN Fc1cccc(CN[C@H]2CCC[C@@H](C3CC3)C2)n1 ZINC000773086416 585631095 /nfs/dbraw/zinc/63/10/95/585631095.db2.gz IVBHNGPVUNGYKY-OLZOCXBDSA-N 0 3 248.345 3.279 20 0 BGADHN Fc1cccc(CN[C@@H]2CCC[C@H](C3CC3)C2)n1 ZINC000773086418 585631190 /nfs/dbraw/zinc/63/11/90/585631190.db2.gz IVBHNGPVUNGYKY-QWHCGFSZSA-N 0 3 248.345 3.279 20 0 BGADHN Fc1cccc(CN[C@H]2CCC[C@H](C3CC3)C2)n1 ZINC000773086420 585631072 /nfs/dbraw/zinc/63/10/72/585631072.db2.gz IVBHNGPVUNGYKY-STQMWFEESA-N 0 3 248.345 3.279 20 0 BGADHN C[C@@H](NCc1cccc(F)n1)C1CCCCC1 ZINC000773093681 585631209 /nfs/dbraw/zinc/63/12/09/585631209.db2.gz FOZNSGIKSGDGAM-LLVKDONJSA-N 0 3 236.334 3.279 20 0 BGADHN C[C@H](NCc1cccc(F)n1)C1CCCCC1 ZINC000773093684 585631028 /nfs/dbraw/zinc/63/10/28/585631028.db2.gz FOZNSGIKSGDGAM-NSHDSACASA-N 0 3 236.334 3.279 20 0 BGADHN C[C@H](CC1CCCC1)NCc1cccc(F)n1 ZINC000773095240 585631410 /nfs/dbraw/zinc/63/14/10/585631410.db2.gz LWGWTAJEVKQHOT-LLVKDONJSA-N 0 3 236.334 3.279 20 0 BGADHN C[C@@H](CC1CCCC1)NCc1cccc(F)n1 ZINC000773095242 585631465 /nfs/dbraw/zinc/63/14/65/585631465.db2.gz LWGWTAJEVKQHOT-NSHDSACASA-N 0 3 236.334 3.279 20 0 BGADHN Fc1cccc(CNC2CCCCCCC2)n1 ZINC000773097936 585631436 /nfs/dbraw/zinc/63/14/36/585631436.db2.gz WCONQMXDDFXKLV-UHFFFAOYSA-N 0 3 236.334 3.423 20 0 BGADHN CCc1noc(C)c1[C@H](C)NCC1(C2CC2)CC1 ZINC000773098181 585631375 /nfs/dbraw/zinc/63/13/75/585631375.db2.gz KRLHLXNTEVRKCE-JTQLQIEISA-N 0 3 248.370 3.386 20 0 BGADHN CCc1noc(C)c1[C@@H](C)NCC1(C2CC2)CC1 ZINC000773098183 585631470 /nfs/dbraw/zinc/63/14/70/585631470.db2.gz KRLHLXNTEVRKCE-SNVBAGLBSA-N 0 3 248.370 3.386 20 0 BGADHN CCCCCC[C@@H](C)NCc1cc(C)ncn1 ZINC000773107491 585631489 /nfs/dbraw/zinc/63/14/89/585631489.db2.gz PVLAFCYMZVNXBI-GFCCVEGCSA-N 0 3 235.375 3.234 20 0 BGADHN CCCCCC[C@H](C)NCc1cc(C)ncn1 ZINC000773107492 585631363 /nfs/dbraw/zinc/63/13/63/585631363.db2.gz PVLAFCYMZVNXBI-LBPRGKRZSA-N 0 3 235.375 3.234 20 0 BGADHN COc1ccc([C@@H](C)N[C@@H](C)c2ccc[nH]2)cc1 ZINC000773115875 585631860 /nfs/dbraw/zinc/63/18/60/585631860.db2.gz ANXDOQXTWUNRSE-NEPJUHHUSA-N 0 3 244.338 3.435 20 0 BGADHN COc1ccc([C@H](C)N[C@H](C)c2ccc[nH]2)cc1 ZINC000773115877 585631653 /nfs/dbraw/zinc/63/16/53/585631653.db2.gz ANXDOQXTWUNRSE-NWDGAFQWSA-N 0 3 244.338 3.435 20 0 BGADHN COc1ccc([C@H](C)N[C@@H](C)c2ccc[nH]2)cc1 ZINC000773115879 585021242 /nfs/dbraw/zinc/02/12/42/585021242.db2.gz ANXDOQXTWUNRSE-RYUDHWBXSA-N 0 3 244.338 3.435 20 0 BGADHN COc1ccc([C@@H](C)N[C@H](C)c2ccc[nH]2)cc1 ZINC000773115885 585021318 /nfs/dbraw/zinc/02/13/18/585021318.db2.gz ANXDOQXTWUNRSE-VXGBXAGGSA-N 0 3 244.338 3.435 20 0 BGADHN C[C@@H](N[C@H]1CCc2cc(F)ccc21)c1ccc[nH]1 ZINC000773117970 585631845 /nfs/dbraw/zinc/63/18/45/585631845.db2.gz LFEIJJDKQVGLOH-BMIGLBTASA-N 0 3 244.313 3.492 20 0 BGADHN C[C@H](N[C@H]1CCc2cc(F)ccc21)c1ccc[nH]1 ZINC000773117972 585631631 /nfs/dbraw/zinc/63/16/31/585631631.db2.gz LFEIJJDKQVGLOH-BONVTDFDSA-N 0 3 244.313 3.492 20 0 BGADHN C[C@@H](N[C@@H]1CCc2cc(F)ccc21)c1ccc[nH]1 ZINC000773117974 585631740 /nfs/dbraw/zinc/63/17/40/585631740.db2.gz LFEIJJDKQVGLOH-MEBBXXQBSA-N 0 3 244.313 3.492 20 0 BGADHN C[C@H](N[C@@H]1CCc2cc(F)ccc21)c1ccc[nH]1 ZINC000773117975 585631644 /nfs/dbraw/zinc/63/16/44/585631644.db2.gz LFEIJJDKQVGLOH-ZUZCIYMTSA-N 0 3 244.313 3.492 20 0 BGADHN C[C@@H](N[C@H](C)c1ccc(Cl)nc1)c1ccc[nH]1 ZINC000773118609 585631710 /nfs/dbraw/zinc/63/17/10/585631710.db2.gz NDONLUOKTFBEJB-NXEZZACHSA-N 0 3 249.745 3.475 20 0 BGADHN C[C@H](N[C@@H](C)c1ccc(Cl)nc1)c1ccc[nH]1 ZINC000773118611 585631640 /nfs/dbraw/zinc/63/16/40/585631640.db2.gz NDONLUOKTFBEJB-UWVGGRQHSA-N 0 3 249.745 3.475 20 0 BGADHN C[C@@H](N[C@@H](C)c1ccc(Cl)nc1)c1ccc[nH]1 ZINC000773118613 585631781 /nfs/dbraw/zinc/63/17/81/585631781.db2.gz NDONLUOKTFBEJB-VHSXEESVSA-N 0 3 249.745 3.475 20 0 BGADHN C[C@@H](N[C@@H](C)c1ccc[nH]1)c1ccc(Cl)nc1 ZINC000773118614 585631784 /nfs/dbraw/zinc/63/17/84/585631784.db2.gz NDONLUOKTFBEJB-ZJUUUORDSA-N 0 3 249.745 3.475 20 0 BGADHN Cc1ccc([C@@H](C)N[C@H](C)c2ccc[nH]2)c(C)n1 ZINC000773119678 585631627 /nfs/dbraw/zinc/63/16/27/585631627.db2.gz SEEOHJLWEFTFEJ-CHWSQXEVSA-N 0 3 243.354 3.438 20 0 BGADHN Cc1ccc([C@@H](C)N[C@@H](C)c2ccc[nH]2)c(C)n1 ZINC000773119680 585631751 /nfs/dbraw/zinc/63/17/51/585631751.db2.gz SEEOHJLWEFTFEJ-OLZOCXBDSA-N 0 3 243.354 3.438 20 0 BGADHN Cc1ccc([C@H](C)N[C@H](C)c2ccc[nH]2)c(C)n1 ZINC000773119681 585631744 /nfs/dbraw/zinc/63/17/44/585631744.db2.gz SEEOHJLWEFTFEJ-QWHCGFSZSA-N 0 3 243.354 3.438 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H](C)c2ccc[nH]2)c(C)n1 ZINC000773119682 585631749 /nfs/dbraw/zinc/63/17/49/585631749.db2.gz SEEOHJLWEFTFEJ-STQMWFEESA-N 0 3 243.354 3.438 20 0 BGADHN Cc1nc(C)c([C@H](C)N[C@H](C)c2ccc[nH]2)s1 ZINC000773121599 585631361 /nfs/dbraw/zinc/63/13/61/585631361.db2.gz RZVNXGCJYBCIEC-BDAKNGLRSA-N 0 3 249.383 3.500 20 0 BGADHN Cc1nc(C)c([C@@H](C)N[C@@H](C)c2ccc[nH]2)s1 ZINC000773121600 585631426 /nfs/dbraw/zinc/63/14/26/585631426.db2.gz RZVNXGCJYBCIEC-DTWKUNHWSA-N 0 3 249.383 3.500 20 0 BGADHN Cc1nc(C)c([C@H](C)N[C@@H](C)c2ccc[nH]2)s1 ZINC000773121601 585631497 /nfs/dbraw/zinc/63/14/97/585631497.db2.gz RZVNXGCJYBCIEC-IUCAKERBSA-N 0 3 249.383 3.500 20 0 BGADHN Cc1nc(C)c([C@@H](C)N[C@H](C)c2ccc[nH]2)s1 ZINC000773121602 585631429 /nfs/dbraw/zinc/63/14/29/585631429.db2.gz RZVNXGCJYBCIEC-RKDXNWHRSA-N 0 3 249.383 3.500 20 0 BGADHN C[C@@H](N[C@H](C)c1ccnc(Cl)c1)c1ccc[nH]1 ZINC000773121608 585632062 /nfs/dbraw/zinc/63/20/62/585632062.db2.gz SATPIADOIJJBNR-NXEZZACHSA-N 0 3 249.745 3.475 20 0 BGADHN C[C@H](N[C@@H](C)c1ccnc(Cl)c1)c1ccc[nH]1 ZINC000773121610 585632045 /nfs/dbraw/zinc/63/20/45/585632045.db2.gz SATPIADOIJJBNR-UWVGGRQHSA-N 0 3 249.745 3.475 20 0 BGADHN C[C@@H](N[C@@H](C)c1ccnc(Cl)c1)c1ccc[nH]1 ZINC000773121612 585632056 /nfs/dbraw/zinc/63/20/56/585632056.db2.gz SATPIADOIJJBNR-VHSXEESVSA-N 0 3 249.745 3.475 20 0 BGADHN C[C@@H](N[C@@H](C)c1ccc[nH]1)c1ccnc(Cl)c1 ZINC000773121613 585632070 /nfs/dbraw/zinc/63/20/70/585632070.db2.gz SATPIADOIJJBNR-ZJUUUORDSA-N 0 3 249.745 3.475 20 0 BGADHN C[C@@H](N[C@H]1CCc2ccccc21)c1ccc[nH]1 ZINC000773123663 585631930 /nfs/dbraw/zinc/63/19/30/585631930.db2.gz VKVGXDBACXHVDK-ABAIWWIYSA-N 0 3 226.323 3.353 20 0 BGADHN C[C@@H](N[C@@H]1CCc2ccccc21)c1ccc[nH]1 ZINC000773123665 585631944 /nfs/dbraw/zinc/63/19/44/585631944.db2.gz VKVGXDBACXHVDK-IAQYHMDHSA-N 0 3 226.323 3.353 20 0 BGADHN C[C@H](N[C@H]1CCc2ccccc21)c1ccc[nH]1 ZINC000773123666 585631922 /nfs/dbraw/zinc/63/19/22/585631922.db2.gz VKVGXDBACXHVDK-NHYWBVRUSA-N 0 3 226.323 3.353 20 0 BGADHN C[C@H](N[C@@H]1CCc2ccccc21)c1ccc[nH]1 ZINC000773123669 585632114 /nfs/dbraw/zinc/63/21/14/585632114.db2.gz VKVGXDBACXHVDK-XHDPSFHLSA-N 0 3 226.323 3.353 20 0 BGADHN Cc1ccncc1[C@@H](C)N[C@@H](C)c1ccc[nH]1 ZINC000773124389 585631694 /nfs/dbraw/zinc/63/16/94/585631694.db2.gz YFLWITWEILCZFJ-NEPJUHHUSA-N 0 3 229.327 3.130 20 0 BGADHN Cc1ccncc1[C@H](C)N[C@H](C)c1ccc[nH]1 ZINC000773124391 585631839 /nfs/dbraw/zinc/63/18/39/585631839.db2.gz YFLWITWEILCZFJ-NWDGAFQWSA-N 0 3 229.327 3.130 20 0 BGADHN Cc1ccncc1[C@H](C)N[C@@H](C)c1ccc[nH]1 ZINC000773124394 585631790 /nfs/dbraw/zinc/63/17/90/585631790.db2.gz YFLWITWEILCZFJ-RYUDHWBXSA-N 0 3 229.327 3.130 20 0 BGADHN Cc1ccncc1[C@@H](C)N[C@H](C)c1ccc[nH]1 ZINC000773124396 585631678 /nfs/dbraw/zinc/63/16/78/585631678.db2.gz YFLWITWEILCZFJ-VXGBXAGGSA-N 0 3 229.327 3.130 20 0 BGADHN COc1cccc([C@@H](C)N[C@@H](C)c2ccc[nH]2)c1 ZINC000773125381 585632038 /nfs/dbraw/zinc/63/20/38/585632038.db2.gz ZTWQBWZWYPUYAY-NEPJUHHUSA-N 0 3 244.338 3.435 20 0 BGADHN COc1cccc([C@H](C)N[C@H](C)c2ccc[nH]2)c1 ZINC000773125383 585632035 /nfs/dbraw/zinc/63/20/35/585632035.db2.gz ZTWQBWZWYPUYAY-NWDGAFQWSA-N 0 3 244.338 3.435 20 0 BGADHN COc1cccc([C@H](C)N[C@@H](C)c2ccc[nH]2)c1 ZINC000773125385 585632101 /nfs/dbraw/zinc/63/21/01/585632101.db2.gz ZTWQBWZWYPUYAY-RYUDHWBXSA-N 0 3 244.338 3.435 20 0 BGADHN COc1cccc([C@@H](C)N[C@H](C)c2ccc[nH]2)c1 ZINC000773125386 585632167 /nfs/dbraw/zinc/63/21/67/585632167.db2.gz ZTWQBWZWYPUYAY-VXGBXAGGSA-N 0 3 244.338 3.435 20 0 BGADHN CCC(=O)CCN(C)[C@@H](C)Cc1ccccc1C ZINC000773933294 585646670 /nfs/dbraw/zinc/64/66/70/585646670.db2.gz CVMDYOKXDYFPMA-AWEZNQCLSA-N 0 3 247.382 3.227 20 0 BGADHN CCC(=O)CCN(C)[C@H](C)Cc1ccccc1C ZINC000773933297 585646706 /nfs/dbraw/zinc/64/67/06/585646706.db2.gz CVMDYOKXDYFPMA-CQSZACIVSA-N 0 3 247.382 3.227 20 0 BGADHN C[C@H](N[C@H]1CCCc2occc21)c1ccc[nH]1 ZINC000774268370 585655405 /nfs/dbraw/zinc/65/54/05/585655405.db2.gz UBHTXEVJCKPJRN-GWCFXTLKSA-N 0 3 230.311 3.336 20 0 BGADHN C[C@H](N[C@@H]1CCCc2occc21)c1ccc[nH]1 ZINC000774268372 585655413 /nfs/dbraw/zinc/65/54/13/585655413.db2.gz UBHTXEVJCKPJRN-GXFFZTMASA-N 0 3 230.311 3.336 20 0 BGADHN C[C@@H](N[C@H]1CCCc2occc21)c1ccc[nH]1 ZINC000774268374 585655365 /nfs/dbraw/zinc/65/53/65/585655365.db2.gz UBHTXEVJCKPJRN-MFKMUULPSA-N 0 3 230.311 3.336 20 0 BGADHN C[C@@H](N[C@@H]1CCCc2occc21)c1ccc[nH]1 ZINC000774268375 585030244 /nfs/dbraw/zinc/03/02/44/585030244.db2.gz UBHTXEVJCKPJRN-ZWNOBZJWSA-N 0 3 230.311 3.336 20 0 BGADHN c1ccc([C@@H]2CCN2C[C@H]2CCC=CO2)cc1 ZINC000774813179 585666660 /nfs/dbraw/zinc/66/66/60/585666660.db2.gz BMVLOYVHBHOMOI-CABCVRRESA-N 0 3 229.323 3.126 20 0 BGADHN c1ccc([C@@H]2CCN2C[C@@H]2CCC=CO2)cc1 ZINC000774813180 585666629 /nfs/dbraw/zinc/66/66/29/585666629.db2.gz BMVLOYVHBHOMOI-GJZGRUSLSA-N 0 3 229.323 3.126 20 0 BGADHN c1ccc([C@H]2CCN2C[C@H]2CCC=CO2)cc1 ZINC000774813181 585666539 /nfs/dbraw/zinc/66/65/39/585666539.db2.gz BMVLOYVHBHOMOI-HUUCEWRRSA-N 0 3 229.323 3.126 20 0 BGADHN c1ccc([C@H]2CCN2C[C@@H]2CCC=CO2)cc1 ZINC000774813182 585666644 /nfs/dbraw/zinc/66/66/44/585666644.db2.gz BMVLOYVHBHOMOI-LSDHHAIUSA-N 0 3 229.323 3.126 20 0 BGADHN C[C@H]1CN(C[C@H]2CCC=CO2)Cc2ccccc21 ZINC000774818069 585666555 /nfs/dbraw/zinc/66/65/55/585666555.db2.gz CALQGQBRGKTCCJ-DZGCQCFKSA-N 0 3 243.350 3.298 20 0 BGADHN C[C@@H]1CN(C[C@@H]2CCC=CO2)Cc2ccccc21 ZINC000774818074 585666558 /nfs/dbraw/zinc/66/65/58/585666558.db2.gz CALQGQBRGKTCCJ-HIFRSBDPSA-N 0 3 243.350 3.298 20 0 BGADHN C[C@@H]1CN(C[C@H]2CCC=CO2)Cc2ccccc21 ZINC000774818078 585666514 /nfs/dbraw/zinc/66/65/14/585666514.db2.gz CALQGQBRGKTCCJ-UKRRQHHQSA-N 0 3 243.350 3.298 20 0 BGADHN C[C@H]1CN(C[C@@H]2CCC=CO2)Cc2ccccc21 ZINC000774818082 585666705 /nfs/dbraw/zinc/66/67/05/585666705.db2.gz CALQGQBRGKTCCJ-ZFWWWQNUSA-N 0 3 243.350 3.298 20 0 BGADHN CCc1ccc(CN(C)C[C@@H]2CCC=CO2)cc1 ZINC000774821597 585666862 /nfs/dbraw/zinc/66/68/62/585666862.db2.gz YHNRKIRWXPYCFI-INIZCTEOSA-N 0 3 245.366 3.374 20 0 BGADHN CCc1ccc(CN(C)C[C@H]2CCC=CO2)cc1 ZINC000774821598 585666771 /nfs/dbraw/zinc/66/67/71/585666771.db2.gz YHNRKIRWXPYCFI-MRXNPFEDSA-N 0 3 245.366 3.374 20 0 BGADHN Cc1cccc(CN(C)C[C@@H]2CCC=CO2)c1 ZINC000774836779 585666822 /nfs/dbraw/zinc/66/68/22/585666822.db2.gz VTBRYOWHNOEOSB-HNNXBMFYSA-N 0 3 231.339 3.120 20 0 BGADHN Cc1cccc(CN(C)C[C@H]2CCC=CO2)c1 ZINC000774836780 585666858 /nfs/dbraw/zinc/66/68/58/585666858.db2.gz VTBRYOWHNOEOSB-OAHLLOKOSA-N 0 3 231.339 3.120 20 0 BGADHN Cc1cc([C@H]2CCCN2CC2(C)CCC2)no1 ZINC000774841895 585667164 /nfs/dbraw/zinc/66/71/64/585667164.db2.gz RICJXGYRTTWXCY-CYBMUJFWSA-N 0 3 234.343 3.310 20 0 BGADHN Cc1cc([C@@H]2CCCN2CC2(C)CCC2)no1 ZINC000774841896 585667340 /nfs/dbraw/zinc/66/73/40/585667340.db2.gz RICJXGYRTTWXCY-ZDUSSCGKSA-N 0 3 234.343 3.310 20 0 BGADHN Cc1cccc2c1CCN(C[C@@H]1CCC=CO1)C2 ZINC000774876736 585668069 /nfs/dbraw/zinc/66/80/69/585668069.db2.gz DARIAXGUZMHFSR-HNNXBMFYSA-N 0 3 243.350 3.046 20 0 BGADHN Cc1cccc2c1CCN(C[C@H]1CCC=CO1)C2 ZINC000774876738 585668254 /nfs/dbraw/zinc/66/82/54/585668254.db2.gz DARIAXGUZMHFSR-OAHLLOKOSA-N 0 3 243.350 3.046 20 0 BGADHN c1cc2c(s1)CCCN(C[C@H]1CCC=CO1)C2 ZINC000774881088 585668688 /nfs/dbraw/zinc/66/86/88/585668688.db2.gz PBVBPSNNGPIIKQ-CYBMUJFWSA-N 0 3 249.379 3.189 20 0 BGADHN c1cc2c(s1)CCCN(C[C@@H]1CCC=CO1)C2 ZINC000774881089 585668438 /nfs/dbraw/zinc/66/84/38/585668438.db2.gz PBVBPSNNGPIIKQ-ZDUSSCGKSA-N 0 3 249.379 3.189 20 0 BGADHN C=Cn1cc(CN2CCC(CC(C)C)CC2)cn1 ZINC000774911633 585669371 /nfs/dbraw/zinc/66/93/71/585669371.db2.gz IMEKHHPCPCVYFM-UHFFFAOYSA-N 0 3 247.386 3.242 20 0 BGADHN CC(C)(C)C1=CCN(C[C@@H]2CCC=CO2)CC1 ZINC000774914274 585669452 /nfs/dbraw/zinc/66/94/52/585669452.db2.gz NKSGBMOFSJOHCF-AWEZNQCLSA-N 0 3 235.371 3.357 20 0 BGADHN CC(C)(C)C1=CCN(C[C@H]2CCC=CO2)CC1 ZINC000774914276 585669274 /nfs/dbraw/zinc/66/92/74/585669274.db2.gz NKSGBMOFSJOHCF-CQSZACIVSA-N 0 3 235.371 3.357 20 0 BGADHN COc1cc(CN[C@H](C)c2ccc[nH]2)ccc1C ZINC000774995251 585036994 /nfs/dbraw/zinc/03/69/94/585036994.db2.gz ABEQQJQXBUJLCG-GFCCVEGCSA-N 0 3 244.338 3.183 20 0 BGADHN COc1cc(CN[C@@H](C)c2ccc[nH]2)ccc1C ZINC000774995254 585036856 /nfs/dbraw/zinc/03/68/56/585036856.db2.gz ABEQQJQXBUJLCG-LBPRGKRZSA-N 0 3 244.338 3.183 20 0 BGADHN Fc1ccc(C2(NC[C@@H]3CCC=CO3)CC2)cc1 ZINC000775012918 585670411 /nfs/dbraw/zinc/67/04/11/585670411.db2.gz LQWCDLZQCCBAJP-AWEZNQCLSA-N 0 3 247.313 3.097 20 0 BGADHN Fc1ccc(C2(NC[C@H]3CCC=CO3)CC2)cc1 ZINC000775012920 585670229 /nfs/dbraw/zinc/67/02/29/585670229.db2.gz LQWCDLZQCCBAJP-CQSZACIVSA-N 0 3 247.313 3.097 20 0 BGADHN CC(C)[C@@H](NC[C@@H]1CCC=CO1)c1ccccn1 ZINC000775015896 585670587 /nfs/dbraw/zinc/67/05/87/585670587.db2.gz ZNBWTFNPKPHWGF-DZGCQCFKSA-N 0 3 246.354 3.061 20 0 BGADHN CC(C)[C@H](NC[C@H]1CCC=CO1)c1ccccn1 ZINC000775015899 585670497 /nfs/dbraw/zinc/67/04/97/585670497.db2.gz ZNBWTFNPKPHWGF-HIFRSBDPSA-N 0 3 246.354 3.061 20 0 BGADHN CC(C)[C@@H](NC[C@H]1CCC=CO1)c1ccccn1 ZINC000775015900 585670532 /nfs/dbraw/zinc/67/05/32/585670532.db2.gz ZNBWTFNPKPHWGF-UKRRQHHQSA-N 0 3 246.354 3.061 20 0 BGADHN CC(C)[C@H](NC[C@@H]1CCC=CO1)c1ccccn1 ZINC000775015903 585670601 /nfs/dbraw/zinc/67/06/01/585670601.db2.gz ZNBWTFNPKPHWGF-ZFWWWQNUSA-N 0 3 246.354 3.061 20 0 BGADHN CCO[C@@H](CNCc1ccoc1)c1ccccc1 ZINC000775026826 585670578 /nfs/dbraw/zinc/67/05/78/585670578.db2.gz AHUWTGBMTGGWCK-HNNXBMFYSA-N 0 3 245.322 3.147 20 0 BGADHN CCO[C@H](CNCc1ccoc1)c1ccccc1 ZINC000775026829 585670683 /nfs/dbraw/zinc/67/06/83/585670683.db2.gz AHUWTGBMTGGWCK-OAHLLOKOSA-N 0 3 245.322 3.147 20 0 BGADHN C[C@H](CNCc1cccc(F)n1)c1ccccc1 ZINC000775032264 585670784 /nfs/dbraw/zinc/67/07/84/585670784.db2.gz GGQZIQQHOUNHPK-GFCCVEGCSA-N 0 3 244.313 3.114 20 0 BGADHN C[C@@H](CNCc1cccc(F)n1)c1ccccc1 ZINC000775032269 585670868 /nfs/dbraw/zinc/67/08/68/585670868.db2.gz GGQZIQQHOUNHPK-LBPRGKRZSA-N 0 3 244.313 3.114 20 0 BGADHN Cc1cc(F)ccc1CN(C)C[C@@H]1CCC=CO1 ZINC000775105628 585672394 /nfs/dbraw/zinc/67/23/94/585672394.db2.gz DBPZCAUYMLZPJY-HNNXBMFYSA-N 0 3 249.329 3.259 20 0 BGADHN Cc1cc(F)ccc1CN(C)C[C@H]1CCC=CO1 ZINC000775105630 585672291 /nfs/dbraw/zinc/67/22/91/585672291.db2.gz DBPZCAUYMLZPJY-OAHLLOKOSA-N 0 3 249.329 3.259 20 0 BGADHN Cc1ccc2c(c1)CCN(C[C@@H]1CCC=CO1)C2 ZINC000775111149 585672125 /nfs/dbraw/zinc/67/21/25/585672125.db2.gz LZOMRKSEXRYQNL-INIZCTEOSA-N 0 3 243.350 3.046 20 0 BGADHN Cc1ccc2c(c1)CCN(C[C@H]1CCC=CO1)C2 ZINC000775111150 585672436 /nfs/dbraw/zinc/67/24/36/585672436.db2.gz LZOMRKSEXRYQNL-MRXNPFEDSA-N 0 3 243.350 3.046 20 0 BGADHN Cc1ccc(C)c(CN(C)C[C@@H]2CCC=CO2)c1 ZINC000775118074 585672518 /nfs/dbraw/zinc/67/25/18/585672518.db2.gz JNVSFSHPVPEWOA-INIZCTEOSA-N 0 3 245.366 3.428 20 0 BGADHN Cc1ccc(C)c(CN(C)C[C@H]2CCC=CO2)c1 ZINC000775118079 585672458 /nfs/dbraw/zinc/67/24/58/585672458.db2.gz JNVSFSHPVPEWOA-MRXNPFEDSA-N 0 3 245.366 3.428 20 0 BGADHN Cc1cccc2c1CN(C[C@@H]1CCC=CO1)CC2 ZINC000775118810 585672535 /nfs/dbraw/zinc/67/25/35/585672535.db2.gz PQNZWIPPCCRXNL-HNNXBMFYSA-N 0 3 243.350 3.046 20 0 BGADHN Cc1cccc2c1CN(C[C@H]1CCC=CO1)CC2 ZINC000775118813 585672657 /nfs/dbraw/zinc/67/26/57/585672657.db2.gz PQNZWIPPCCRXNL-OAHLLOKOSA-N 0 3 243.350 3.046 20 0 BGADHN CCCc1cccc(CNCCOC2CCC2)c1 ZINC000775311118 585675205 /nfs/dbraw/zinc/67/52/05/585675205.db2.gz NYBRVFNKJSKDNV-UHFFFAOYSA-N 0 3 247.382 3.298 20 0 BGADHN CC1=CCC[C@H](C)[C@@H]1CNCc1cccc(F)n1 ZINC000775314405 585675330 /nfs/dbraw/zinc/67/53/30/585675330.db2.gz NRZHLGHGUCQZAY-GXTWGEPZSA-N 0 3 248.345 3.303 20 0 BGADHN CC1=CCC[C@H](C)[C@H]1CNCc1cccc(F)n1 ZINC000775314406 585675348 /nfs/dbraw/zinc/67/53/48/585675348.db2.gz NRZHLGHGUCQZAY-JSGCOSHPSA-N 0 3 248.345 3.303 20 0 BGADHN CC1=CCC[C@@H](C)[C@H]1CNCc1cccc(F)n1 ZINC000775314407 585675289 /nfs/dbraw/zinc/67/52/89/585675289.db2.gz NRZHLGHGUCQZAY-OCCSQVGLSA-N 0 3 248.345 3.303 20 0 BGADHN CC1=CCC[C@@H](C)[C@@H]1CNCc1cccc(F)n1 ZINC000775314408 585675176 /nfs/dbraw/zinc/67/51/76/585675176.db2.gz NRZHLGHGUCQZAY-TZMCWYRMSA-N 0 3 248.345 3.303 20 0 BGADHN c1cc(CNC2(Cc3ccccc3)CC2)co1 ZINC000775323397 585675730 /nfs/dbraw/zinc/67/57/30/585675730.db2.gz DFLLQFHCXMPRHH-UHFFFAOYSA-N 0 3 227.307 3.145 20 0 BGADHN CC[C@H](NC[C@@H](C)C(C)(C)C)c1nccn1C ZINC000775396190 585677279 /nfs/dbraw/zinc/67/72/79/585677279.db2.gz RQMOGNHVFJISSB-NEPJUHHUSA-N 0 3 237.391 3.143 20 0 BGADHN CC[C@@H](NC[C@H](C)C(C)(C)C)c1nccn1C ZINC000775396192 585677415 /nfs/dbraw/zinc/67/74/15/585677415.db2.gz RQMOGNHVFJISSB-NWDGAFQWSA-N 0 3 237.391 3.143 20 0 BGADHN CC[C@H](NC[C@H](C)C(C)(C)C)c1nccn1C ZINC000775396194 585677216 /nfs/dbraw/zinc/67/72/16/585677216.db2.gz RQMOGNHVFJISSB-RYUDHWBXSA-N 0 3 237.391 3.143 20 0 BGADHN CC[C@@H](NC[C@@H](C)C(C)(C)C)c1nccn1C ZINC000775396197 583090177 /nfs/dbraw/zinc/09/01/77/583090177.db2.gz RQMOGNHVFJISSB-VXGBXAGGSA-N 0 3 237.391 3.143 20 0 BGADHN CC(C)[C@@H](NCCC(F)(F)F)c1ccccn1 ZINC000775444541 585677906 /nfs/dbraw/zinc/67/79/06/585677906.db2.gz CBUCTQDXICIFSR-LLVKDONJSA-N 0 3 246.276 3.321 20 0 BGADHN CC(C)[C@H](NCCC(F)(F)F)c1ccccn1 ZINC000775444542 585677958 /nfs/dbraw/zinc/67/79/58/585677958.db2.gz CBUCTQDXICIFSR-NSHDSACASA-N 0 3 246.276 3.321 20 0 BGADHN CCCc1ccc(CN2CCOCC[C@@H]2C)cc1 ZINC000775569947 585680448 /nfs/dbraw/zinc/68/04/48/585680448.db2.gz KDQDLEDMPSRXCI-AWEZNQCLSA-N 0 3 247.382 3.250 20 0 BGADHN CCCc1ccc(CN2CCOCC[C@H]2C)cc1 ZINC000775569948 585680202 /nfs/dbraw/zinc/68/02/02/585680202.db2.gz KDQDLEDMPSRXCI-CQSZACIVSA-N 0 3 247.382 3.250 20 0 BGADHN C[C@@H]1CCOCCN1Cc1cc2ccccc2o1 ZINC000775570641 585680339 /nfs/dbraw/zinc/68/03/39/585680339.db2.gz QQIRWBUVZSSGTO-GFCCVEGCSA-N 0 3 245.322 3.044 20 0 BGADHN C[C@H]1CCOCCN1Cc1cc2ccccc2o1 ZINC000775570642 585680488 /nfs/dbraw/zinc/68/04/88/585680488.db2.gz QQIRWBUVZSSGTO-LBPRGKRZSA-N 0 3 245.322 3.044 20 0 BGADHN Cc1cc(CN2CC[C@@H]2C(C)C)c(C)o1 ZINC000775763214 585684009 /nfs/dbraw/zinc/68/40/09/585684009.db2.gz FJKLZZDCJZLHIY-CYBMUJFWSA-N 0 3 207.317 3.127 20 0 BGADHN Cc1cc(CN2CC[C@H]2C(C)C)c(C)o1 ZINC000775763249 585684263 /nfs/dbraw/zinc/68/42/63/585684263.db2.gz FJKLZZDCJZLHIY-ZDUSSCGKSA-N 0 3 207.317 3.127 20 0 BGADHN CC(C)[C@@H]1CCN1Cc1cnc2ccccc2c1 ZINC000775765831 585684634 /nfs/dbraw/zinc/68/46/34/585684634.db2.gz TUMSYFNXOXSHGU-INIZCTEOSA-N 0 3 240.350 3.465 20 0 BGADHN CC(C)[C@H]1CCN1Cc1cnc2ccccc2c1 ZINC000775765832 585684344 /nfs/dbraw/zinc/68/43/44/585684344.db2.gz TUMSYFNXOXSHGU-MRXNPFEDSA-N 0 3 240.350 3.465 20 0 BGADHN CC[C@H](CN(CC)CCF)c1ccccc1 ZINC000775893689 585687305 /nfs/dbraw/zinc/68/73/05/585687305.db2.gz DNZZDWRAGHHHIL-CYBMUJFWSA-N 0 3 223.335 3.472 20 0 BGADHN CC[C@@H](CN(CC)CCF)c1ccccc1 ZINC000775893694 585687100 /nfs/dbraw/zinc/68/71/00/585687100.db2.gz DNZZDWRAGHHHIL-ZDUSSCGKSA-N 0 3 223.335 3.472 20 0 BGADHN COc1ccc(CN([C@H](C)C(C)C)C2CC2)nc1 ZINC000775940242 585688114 /nfs/dbraw/zinc/68/81/14/585688114.db2.gz XPWKNWRGPOSYNL-GFCCVEGCSA-N 0 3 248.370 3.099 20 0 BGADHN COc1ccc(CN([C@@H](C)C(C)C)C2CC2)nc1 ZINC000775940247 585688415 /nfs/dbraw/zinc/68/84/15/585688415.db2.gz XPWKNWRGPOSYNL-LBPRGKRZSA-N 0 3 248.370 3.099 20 0 BGADHN CCC(CC)N(Cc1ccc(OC)cn1)C1CC1 ZINC000775964579 585688469 /nfs/dbraw/zinc/68/84/69/585688469.db2.gz TUFFKCNECRQOKV-UHFFFAOYSA-N 0 3 248.370 3.243 20 0 BGADHN C[C@@H](CN[C@H](c1nccn1C)C1CC1)C(C)(C)C ZINC000776482757 585699114 /nfs/dbraw/zinc/69/91/14/585699114.db2.gz XLWMJVYJCNEDHC-AAEUAGOBSA-N 0 3 249.402 3.143 20 0 BGADHN C[C@H](CN[C@@H](c1nccn1C)C1CC1)C(C)(C)C ZINC000776482758 585699244 /nfs/dbraw/zinc/69/92/44/585699244.db2.gz XLWMJVYJCNEDHC-DGCLKSJQSA-N 0 3 249.402 3.143 20 0 BGADHN C[C@@H](CN[C@@H](c1nccn1C)C1CC1)C(C)(C)C ZINC000776482759 585699205 /nfs/dbraw/zinc/69/92/05/585699205.db2.gz XLWMJVYJCNEDHC-WCQYABFASA-N 0 3 249.402 3.143 20 0 BGADHN C[C@H](CN[C@H](c1nccn1C)C1CC1)C(C)(C)C ZINC000776482760 585699307 /nfs/dbraw/zinc/69/93/07/585699307.db2.gz XLWMJVYJCNEDHC-YPMHNXCESA-N 0 3 249.402 3.143 20 0 BGADHN Cc1ccc2c(c1)CC[C@@H]2NCCOC(C)(C)C ZINC000776891673 585706543 /nfs/dbraw/zinc/70/65/43/585706543.db2.gz XDYROEHMDPWVKX-HNNXBMFYSA-N 0 3 247.382 3.387 20 0 BGADHN Cc1ccc2c(c1)CC[C@H]2NCCOC(C)(C)C ZINC000776891675 585706480 /nfs/dbraw/zinc/70/64/80/585706480.db2.gz XDYROEHMDPWVKX-OAHLLOKOSA-N 0 3 247.382 3.387 20 0 BGADHN Cc1cccc2c1CC[C@@H]2NCCOC1CCC1 ZINC000777118445 585708785 /nfs/dbraw/zinc/70/87/85/585708785.db2.gz DORXJJDVJHYBFS-INIZCTEOSA-N 0 3 245.366 3.141 20 0 BGADHN Cc1cccc2c1CC[C@H]2NCCOC1CCC1 ZINC000777118446 585708769 /nfs/dbraw/zinc/70/87/69/585708769.db2.gz DORXJJDVJHYBFS-MRXNPFEDSA-N 0 3 245.366 3.141 20 0 BGADHN CCC[C@H](NCCOC1CCC1)c1ccccn1 ZINC000777119534 583131121 /nfs/dbraw/zinc/13/11/21/583131121.db2.gz BJKXRGJCDHRVSG-AWEZNQCLSA-N 0 3 248.370 3.082 20 0 BGADHN CCC[C@@H](NCCOC1CCC1)c1ccccn1 ZINC000777119538 583130756 /nfs/dbraw/zinc/13/07/56/583130756.db2.gz BJKXRGJCDHRVSG-CQSZACIVSA-N 0 3 248.370 3.082 20 0 BGADHN Cc1ccc2c(c1)CC[C@@H]2NCCOC1CCC1 ZINC000777120494 585708886 /nfs/dbraw/zinc/70/88/86/585708886.db2.gz VHKJXYWEXBUULE-INIZCTEOSA-N 0 3 245.366 3.141 20 0 BGADHN Cc1ccc2c(c1)CC[C@H]2NCCOC1CCC1 ZINC000777120496 585708687 /nfs/dbraw/zinc/70/86/87/585708687.db2.gz VHKJXYWEXBUULE-MRXNPFEDSA-N 0 3 245.366 3.141 20 0 BGADHN CCc1ccc([C@@H](C)NCCOC2CCC2)o1 ZINC000777121201 585708731 /nfs/dbraw/zinc/70/87/31/585708731.db2.gz MLXKLFIWYXTHRQ-LLVKDONJSA-N 0 3 237.343 3.062 20 0 BGADHN CCc1ccc([C@H](C)NCCOC2CCC2)o1 ZINC000777121203 585708866 /nfs/dbraw/zinc/70/88/66/585708866.db2.gz MLXKLFIWYXTHRQ-NSHDSACASA-N 0 3 237.343 3.062 20 0 BGADHN Clc1ccc2c(c1)CC[C@H]2N1CCCC1 ZINC000777400691 585711266 /nfs/dbraw/zinc/71/12/66/585711266.db2.gz BOSVJXQAMUGTMW-CYBMUJFWSA-N 0 3 221.731 3.423 20 0 BGADHN Clc1ccc2c(c1)CC[C@@H]2N1CCCC1 ZINC000777400692 585710659 /nfs/dbraw/zinc/71/06/59/585710659.db2.gz BOSVJXQAMUGTMW-ZDUSSCGKSA-N 0 3 221.731 3.423 20 0 BGADHN C[C@H](C1CC1)N1CCc2[nH]c3ccccc3c2C1 ZINC000777537766 585714327 /nfs/dbraw/zinc/71/43/27/585714327.db2.gz BMBDZLLIPUONGQ-LLVKDONJSA-N 0 3 240.350 3.325 20 0 BGADHN C[C@@H](C1CC1)N1CCc2[nH]c3ccccc3c2C1 ZINC000777537767 585714230 /nfs/dbraw/zinc/71/42/30/585714230.db2.gz BMBDZLLIPUONGQ-NSHDSACASA-N 0 3 240.350 3.325 20 0 BGADHN CCCCCN(CCCCC)CC1OCCO1 ZINC000777557680 585715206 /nfs/dbraw/zinc/71/52/06/585715206.db2.gz MQIFOPOJOXNQBP-UHFFFAOYSA-N 0 3 243.391 3.042 20 0 BGADHN C[C@@H]1CN(Cc2ccc(CF)cc2)CCS1 ZINC000777579321 585715528 /nfs/dbraw/zinc/71/55/28/585715528.db2.gz XZJJWYOJUBPYCX-LLVKDONJSA-N 0 3 239.359 3.093 20 0 BGADHN CCOCCN(CC)Cc1ccc(CF)cc1 ZINC000777583126 585716135 /nfs/dbraw/zinc/71/61/35/585716135.db2.gz NDTOCRLYXAZZPY-UHFFFAOYSA-N 0 3 239.334 3.015 20 0 BGADHN C[C@@H]1CSCCN1Cc1ccc(CF)cc1 ZINC000777589468 585716326 /nfs/dbraw/zinc/71/63/26/585716326.db2.gz UJAJSNJWXPUMRX-LLVKDONJSA-N 0 3 239.359 3.093 20 0 BGADHN C[C@H]1CSCCN1Cc1ccc(CF)cc1 ZINC000777589469 585716464 /nfs/dbraw/zinc/71/64/64/585716464.db2.gz UJAJSNJWXPUMRX-NSHDSACASA-N 0 3 239.359 3.093 20 0 BGADHN CN(Cc1ccc(CF)cc1)[C@@H]1CCSC1 ZINC000777712463 585719076 /nfs/dbraw/zinc/71/90/76/585719076.db2.gz NFWDMSLZZVJEOS-CYBMUJFWSA-N 0 3 239.359 3.093 20 0 BGADHN CN(Cc1ccc(CF)cc1)[C@H]1CCSC1 ZINC000777712465 585718980 /nfs/dbraw/zinc/71/89/80/585718980.db2.gz NFWDMSLZZVJEOS-ZDUSSCGKSA-N 0 3 239.359 3.093 20 0 BGADHN FCc1ccc(CN2CCCSCC2)cc1 ZINC000777712549 585718945 /nfs/dbraw/zinc/71/89/45/585718945.db2.gz CRFQONAXCWPIRY-UHFFFAOYSA-N 0 3 239.359 3.095 20 0 BGADHN CC1=CCN(Cc2ccc(CF)cc2)CC1 ZINC000777712815 585719020 /nfs/dbraw/zinc/71/90/20/585719020.db2.gz OUFJMTSPZRXIJI-UHFFFAOYSA-N 0 3 219.303 3.308 20 0 BGADHN FCc1ccc(CN2CC[C@@H](C(F)F)C2)cc1 ZINC000777713692 585718853 /nfs/dbraw/zinc/71/88/53/585718853.db2.gz RZMNWHYAXNTDTD-GFCCVEGCSA-N 0 3 243.272 3.243 20 0 BGADHN FCc1ccc(CN2CC[C@H](C(F)F)C2)cc1 ZINC000777713693 585718908 /nfs/dbraw/zinc/71/89/08/585718908.db2.gz RZMNWHYAXNTDTD-LBPRGKRZSA-N 0 3 243.272 3.243 20 0 BGADHN C[C@H](Cc1cccc(F)c1)N(C)Cc1ccoc1 ZINC000777909819 585723827 /nfs/dbraw/zinc/72/38/27/585723827.db2.gz AGLUXPSYJUHFJH-GFCCVEGCSA-N 0 3 247.313 3.482 20 0 BGADHN C[C@@H](Cc1cccc(F)c1)N(C)Cc1ccoc1 ZINC000777909821 585723605 /nfs/dbraw/zinc/72/36/05/585723605.db2.gz AGLUXPSYJUHFJH-LBPRGKRZSA-N 0 3 247.313 3.482 20 0 BGADHN C[C@@H](C1CC1)N1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000777962659 711460030 /nfs/dbraw/zinc/46/00/30/711460030.db2.gz VSAWHOVLEWJCSP-DVOMOZLQSA-N 0 3 245.366 3.247 20 0 BGADHN C[C@H](C1CC1)N1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000777962660 711460294 /nfs/dbraw/zinc/46/02/94/711460294.db2.gz VSAWHOVLEWJCSP-IOASZLSFSA-N 0 3 245.366 3.247 20 0 BGADHN C[C@@H](C1CC1)N1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000777962661 711460111 /nfs/dbraw/zinc/46/01/11/711460111.db2.gz VSAWHOVLEWJCSP-WWGRRREGSA-N 0 3 245.366 3.247 20 0 BGADHN C[C@H](C1CC1)N1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000777962662 711460088 /nfs/dbraw/zinc/46/00/88/711460088.db2.gz VSAWHOVLEWJCSP-XJKCOSOUSA-N 0 3 245.366 3.247 20 0 BGADHN CC[C@H](NCc1ccc(F)nc1)c1ccccc1 ZINC000778162846 585726818 /nfs/dbraw/zinc/72/68/18/585726818.db2.gz WRRLJXCAEWXBTI-AWEZNQCLSA-N 0 3 244.313 3.462 20 0 BGADHN CC[C@@H](NCc1ccc(F)nc1)c1ccccc1 ZINC000778162847 585726796 /nfs/dbraw/zinc/72/67/96/585726796.db2.gz WRRLJXCAEWXBTI-CQSZACIVSA-N 0 3 244.313 3.462 20 0 BGADHN CC(C)(NCc1ccc(F)nc1)c1ccccc1 ZINC000778164497 585726768 /nfs/dbraw/zinc/72/67/68/585726768.db2.gz MQEZURLGBLJVFS-UHFFFAOYSA-N 0 3 244.313 3.246 20 0 BGADHN Cc1cccc(C)c1CNCc1ccc(F)nc1 ZINC000778172963 585726603 /nfs/dbraw/zinc/72/66/03/585726603.db2.gz FXCHKKFGPAJQCD-UHFFFAOYSA-N 0 3 244.313 3.127 20 0 BGADHN CC(C)C1(C)CCN(C/C=C\Cl)CC1 ZINC000778218830 585728017 /nfs/dbraw/zinc/72/80/17/585728017.db2.gz MHMVWGDRPBQVAT-DAXSKMNVSA-N 0 3 215.768 3.497 20 0 BGADHN CC(C)C1(C)CCN(C/C=C/Cl)CC1 ZINC000778218834 585727724 /nfs/dbraw/zinc/72/77/24/585727724.db2.gz MHMVWGDRPBQVAT-QPJJXVBHSA-N 0 3 215.768 3.497 20 0 BGADHN c1cc(CN2CCC3(CC3)CC2)cc2c1COC2 ZINC000778222623 585728080 /nfs/dbraw/zinc/72/80/80/585728080.db2.gz ZTMTZSOVZDKBHH-UHFFFAOYSA-N 0 3 243.350 3.093 20 0 BGADHN CCCCCCN1CC[C@@H](C)[C@@H](F)C1 ZINC000778235061 585728852 /nfs/dbraw/zinc/72/88/52/585728852.db2.gz KUACSDBPGLDUPM-NEPJUHHUSA-N 0 3 201.329 3.247 20 0 BGADHN CCCCCCN1CC[C@H](C)[C@H](F)C1 ZINC000778235090 585728963 /nfs/dbraw/zinc/72/89/63/585728963.db2.gz KUACSDBPGLDUPM-NWDGAFQWSA-N 0 3 201.329 3.247 20 0 BGADHN CCCCCCN1CC[C@H](C)[C@@H](F)C1 ZINC000778235091 585728894 /nfs/dbraw/zinc/72/88/94/585728894.db2.gz KUACSDBPGLDUPM-RYUDHWBXSA-N 0 3 201.329 3.247 20 0 BGADHN CCCCCCN1CC[C@@H](C)[C@H](F)C1 ZINC000778235093 585728848 /nfs/dbraw/zinc/72/88/48/585728848.db2.gz KUACSDBPGLDUPM-VXGBXAGGSA-N 0 3 201.329 3.247 20 0 BGADHN FCCN1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000778242030 585729449 /nfs/dbraw/zinc/72/94/49/585729449.db2.gz AJHJTOSFBYGZGT-GFCCVEGCSA-N 0 3 239.309 3.365 20 0 BGADHN FCCN1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000778242035 585729210 /nfs/dbraw/zinc/72/92/10/585729210.db2.gz AJHJTOSFBYGZGT-LBPRGKRZSA-N 0 3 239.309 3.365 20 0 BGADHN Cc1noc(C)c1CN(C)CCCC(C)C ZINC000778361189 585732362 /nfs/dbraw/zinc/73/23/62/585732362.db2.gz VOUYGMKLURPLDD-UHFFFAOYSA-N 0 3 224.348 3.159 20 0 BGADHN COc1ccc2c(c1)nccc2N1CC=CCC1 ZINC000778591746 585737853 /nfs/dbraw/zinc/73/78/53/585737853.db2.gz OFYHVPJTMRAREM-UHFFFAOYSA-N 0 3 240.306 3.010 20 0 BGADHN Cc1ccc([C@@H](C)N[C@@H](C)c2c[nH]nc2C)s1 ZINC000779026421 585744158 /nfs/dbraw/zinc/74/41/58/585744158.db2.gz WIBQSARGGZJYSP-GXSJLCMTSA-N 0 3 249.383 3.500 20 0 BGADHN Cc1ccc([C@H](C)N[C@H](C)c2c[nH]nc2C)s1 ZINC000779026424 585744466 /nfs/dbraw/zinc/74/44/66/585744466.db2.gz WIBQSARGGZJYSP-KOLCDFICSA-N 0 3 249.383 3.500 20 0 BGADHN Cc1ccc([C@@H](C)N[C@H](C)c2c[nH]nc2C)s1 ZINC000779026425 585744438 /nfs/dbraw/zinc/74/44/38/585744438.db2.gz WIBQSARGGZJYSP-MWLCHTKSSA-N 0 3 249.383 3.500 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H](C)c2c[nH]nc2C)s1 ZINC000779026430 585744373 /nfs/dbraw/zinc/74/43/73/585744373.db2.gz WIBQSARGGZJYSP-ONGXEEELSA-N 0 3 249.383 3.500 20 0 BGADHN CC(C)[C@H](Cc1ccccc1)NCc1ccon1 ZINC000779027068 585744155 /nfs/dbraw/zinc/74/41/55/585744155.db2.gz JGFDDUMGAOXTLY-HNNXBMFYSA-N 0 3 244.338 3.032 20 0 BGADHN CC(C)[C@@H](Cc1ccccc1)NCc1ccon1 ZINC000779027069 585744201 /nfs/dbraw/zinc/74/42/01/585744201.db2.gz JGFDDUMGAOXTLY-OAHLLOKOSA-N 0 3 244.338 3.032 20 0 BGADHN CC(C)[C@H](Cc1ccccc1)NCc1cocn1 ZINC000779041431 585744630 /nfs/dbraw/zinc/74/46/30/585744630.db2.gz SEWGHJCBCLGUCG-HNNXBMFYSA-N 0 3 244.338 3.032 20 0 BGADHN CC(C)[C@@H](Cc1ccccc1)NCc1cocn1 ZINC000779041432 585744563 /nfs/dbraw/zinc/74/45/63/585744563.db2.gz SEWGHJCBCLGUCG-OAHLLOKOSA-N 0 3 244.338 3.032 20 0 BGADHN Cc1n[nH]cc1[C@@H](C)NCc1c(C)cccc1C ZINC000779128775 585745616 /nfs/dbraw/zinc/74/56/16/585745616.db2.gz ATXXRQGWMAYXGX-GFCCVEGCSA-N 0 3 243.354 3.186 20 0 BGADHN Cc1n[nH]cc1[C@H](C)NCc1c(C)cccc1C ZINC000779128783 585745425 /nfs/dbraw/zinc/74/54/25/585745425.db2.gz ATXXRQGWMAYXGX-LBPRGKRZSA-N 0 3 243.354 3.186 20 0 BGADHN CC(C)C[C@H]1CCCN1Cc1ccc(F)nc1 ZINC000779153134 585745826 /nfs/dbraw/zinc/74/58/26/585745826.db2.gz AFFMCUKKBNACNJ-CYBMUJFWSA-N 0 3 236.334 3.231 20 0 BGADHN CC(C)C[C@@H]1CCCN1Cc1ccc(F)nc1 ZINC000779153135 585745750 /nfs/dbraw/zinc/74/57/50/585745750.db2.gz AFFMCUKKBNACNJ-ZDUSSCGKSA-N 0 3 236.334 3.231 20 0 BGADHN C[C@H](N(C)Cc1ccc(F)nc1)C(C)(C)C ZINC000779153539 585745971 /nfs/dbraw/zinc/74/59/71/585745971.db2.gz GFWHGDUAUFOZEQ-JTQLQIEISA-N 0 3 224.323 3.087 20 0 BGADHN C[C@@H](N(C)Cc1ccc(F)nc1)C(C)(C)C ZINC000779153546 585745989 /nfs/dbraw/zinc/74/59/89/585745989.db2.gz GFWHGDUAUFOZEQ-SNVBAGLBSA-N 0 3 224.323 3.087 20 0 BGADHN Fc1ccc(CN2CCC3(CCCC3)CC2)cn1 ZINC000779156777 585746390 /nfs/dbraw/zinc/74/63/90/585746390.db2.gz BPHWPLCUSGMUMU-UHFFFAOYSA-N 0 3 248.345 3.377 20 0 BGADHN CCC1(CC)CCN(Cc2ccc(F)nc2)C1 ZINC000779157365 585746170 /nfs/dbraw/zinc/74/61/70/585746170.db2.gz OQGFTVVGOKYXNZ-UHFFFAOYSA-N 0 3 236.334 3.233 20 0 BGADHN CC(C)(C)[C@H]1CCCN1Cc1ccc(F)nc1 ZINC000779157852 585746326 /nfs/dbraw/zinc/74/63/26/585746326.db2.gz KROYCUTXTLVQAR-GFCCVEGCSA-N 0 3 236.334 3.231 20 0 BGADHN CC(C)(C)[C@@H]1CCCN1Cc1ccc(F)nc1 ZINC000779157853 585746272 /nfs/dbraw/zinc/74/62/72/585746272.db2.gz KROYCUTXTLVQAR-LBPRGKRZSA-N 0 3 236.334 3.231 20 0 BGADHN Fc1ccc(CN2C3CCCC2CCC3)cn1 ZINC000779161009 585746420 /nfs/dbraw/zinc/74/64/20/585746420.db2.gz FXHRDQVNLYGEHD-UHFFFAOYSA-N 0 3 234.318 3.128 20 0 BGADHN CC(C)(C)[C@@H]1CCN(Cc2ccc(F)nc2)C1 ZINC000779165182 585746180 /nfs/dbraw/zinc/74/61/80/585746180.db2.gz ATOMCFXYWLQOLQ-GFCCVEGCSA-N 0 3 236.334 3.089 20 0 BGADHN CC(C)(C)[C@H]1CCN(Cc2ccc(F)nc2)C1 ZINC000779165183 585746049 /nfs/dbraw/zinc/74/60/49/585746049.db2.gz ATOMCFXYWLQOLQ-LBPRGKRZSA-N 0 3 236.334 3.089 20 0 BGADHN C[C@H]1CN(Cc2ccc(F)nc2)CC(C)(C)C1 ZINC000779165800 585746806 /nfs/dbraw/zinc/74/68/06/585746806.db2.gz NBCCMDFLKWEJHP-LLVKDONJSA-N 0 3 236.334 3.089 20 0 BGADHN C[C@@H]1CN(Cc2ccc(F)nc2)CC(C)(C)C1 ZINC000779165801 585746830 /nfs/dbraw/zinc/74/68/30/585746830.db2.gz NBCCMDFLKWEJHP-NSHDSACASA-N 0 3 236.334 3.089 20 0 BGADHN CN(Cc1ccc(F)nc1)C[C@@H]1CC=CCC1 ZINC000779165810 585746790 /nfs/dbraw/zinc/74/67/90/585746790.db2.gz NTYAEJJHHIUTTR-GFCCVEGCSA-N 0 3 234.318 3.009 20 0 BGADHN CN(Cc1ccc(F)nc1)C[C@H]1CC=CCC1 ZINC000779165811 585746883 /nfs/dbraw/zinc/74/68/83/585746883.db2.gz NTYAEJJHHIUTTR-LBPRGKRZSA-N 0 3 234.318 3.009 20 0 BGADHN C[C@@H]1CN(Cc2ccncc2)Cc2ccccc21 ZINC000779459635 585755265 /nfs/dbraw/zinc/75/52/65/585755265.db2.gz FEVOLGCXPPHUMP-CYBMUJFWSA-N 0 3 238.334 3.201 20 0 BGADHN C[C@H]1CN(Cc2ccncc2)Cc2ccccc21 ZINC000779459636 585755181 /nfs/dbraw/zinc/75/51/81/585755181.db2.gz FEVOLGCXPPHUMP-ZDUSSCGKSA-N 0 3 238.334 3.201 20 0 BGADHN CCCCCN(C)Cc1ccc(OC)c(F)c1 ZINC000779474729 585755886 /nfs/dbraw/zinc/75/58/86/585755886.db2.gz DCXBYTRFDGJWMK-UHFFFAOYSA-N 0 3 239.334 3.456 20 0 BGADHN C[C@@H]1CCN(Cc2ccoc2)CC12CCC2 ZINC000779603790 585757020 /nfs/dbraw/zinc/75/70/20/585757020.db2.gz BPZLUCXQEIIKAF-GFCCVEGCSA-N 0 3 219.328 3.292 20 0 BGADHN C[C@H]1CCN(Cc2ccoc2)CC12CCC2 ZINC000779603791 585756924 /nfs/dbraw/zinc/75/69/24/585756924.db2.gz BPZLUCXQEIIKAF-LBPRGKRZSA-N 0 3 219.328 3.292 20 0 BGADHN CN(Cc1ccoc1)C[C@@H]1CCc2ccccc21 ZINC000780290167 585776705 /nfs/dbraw/zinc/77/67/05/585776705.db2.gz WSRKABVZORWPPZ-HNNXBMFYSA-N 0 3 241.334 3.441 20 0 BGADHN CN(Cc1ccoc1)C[C@H]1CCc2ccccc21 ZINC000780290170 585776950 /nfs/dbraw/zinc/77/69/50/585776950.db2.gz WSRKABVZORWPPZ-OAHLLOKOSA-N 0 3 241.334 3.441 20 0 BGADHN C[C@@H]1CCN(C[C@@H]2CCc3ccccc32)C[C@@H]1F ZINC000780313991 585777561 /nfs/dbraw/zinc/77/75/61/585777561.db2.gz BCOYAWVAUDCDPI-INWMFGNUSA-N 0 3 247.357 3.396 20 0 BGADHN C[C@@H]1CCN(C[C@@H]2CCc3ccccc32)C[C@H]1F ZINC000780313992 585777661 /nfs/dbraw/zinc/77/76/61/585777661.db2.gz BCOYAWVAUDCDPI-IVMMDQJWSA-N 0 3 247.357 3.396 20 0 BGADHN C[C@@H]1CCN(C[C@H]2CCc3ccccc32)C[C@H]1F ZINC000780313993 585777447 /nfs/dbraw/zinc/77/74/47/585777447.db2.gz BCOYAWVAUDCDPI-XNRPHZJLSA-N 0 3 247.357 3.396 20 0 BGADHN C[C@@H]1CCN(C[C@H]2CCc3ccccc32)C[C@@H]1F ZINC000780313994 585777570 /nfs/dbraw/zinc/77/75/70/585777570.db2.gz BCOYAWVAUDCDPI-XPKDYRNWSA-N 0 3 247.357 3.396 20 0 BGADHN Fc1ccc2c(c1)[C@H](NC[C@@H]1CCC=CO1)CC2 ZINC000780331468 585778060 /nfs/dbraw/zinc/77/80/60/585778060.db2.gz CFRWCFQNVXOKBD-DZGCQCFKSA-N 0 3 247.313 3.095 20 0 BGADHN Fc1ccc2c(c1)[C@@H](NC[C@H]1CCC=CO1)CC2 ZINC000780331471 585778023 /nfs/dbraw/zinc/77/80/23/585778023.db2.gz CFRWCFQNVXOKBD-HIFRSBDPSA-N 0 3 247.313 3.095 20 0 BGADHN Fc1ccc2c(c1)[C@H](NC[C@H]1CCC=CO1)CC2 ZINC000780331472 585778025 /nfs/dbraw/zinc/77/80/25/585778025.db2.gz CFRWCFQNVXOKBD-UKRRQHHQSA-N 0 3 247.313 3.095 20 0 BGADHN Fc1ccc2c(c1)[C@@H](NC[C@@H]1CCC=CO1)CC2 ZINC000780331473 585777940 /nfs/dbraw/zinc/77/79/40/585777940.db2.gz CFRWCFQNVXOKBD-ZFWWWQNUSA-N 0 3 247.313 3.095 20 0 BGADHN CC(=O)CCN1CCC[C@H]1/C=C\c1ccccc1 ZINC000780396440 585778768 /nfs/dbraw/zinc/77/87/68/585778768.db2.gz CQKBOQVLEZHGIS-YDZSZYSISA-N 0 3 243.350 3.143 20 0 BGADHN CC(=O)CCN1CCC[C@@H]1/C=C\c1ccccc1 ZINC000780396441 585778776 /nfs/dbraw/zinc/77/87/76/585778776.db2.gz CQKBOQVLEZHGIS-ZBTGYSDGSA-N 0 3 243.350 3.143 20 0 BGADHN CC(C)n1cc2c(n1)[C@H](NCC(C)(C)C)CCC2 ZINC000780407353 585778850 /nfs/dbraw/zinc/77/88/50/585778850.db2.gz AGSQYBQCISEJLG-CYBMUJFWSA-N 0 3 249.402 3.477 20 0 BGADHN CC(C)n1cc2c(n1)[C@@H](NCC(C)(C)C)CCC2 ZINC000780407362 585778894 /nfs/dbraw/zinc/77/88/94/585778894.db2.gz AGSQYBQCISEJLG-ZDUSSCGKSA-N 0 3 249.402 3.477 20 0 BGADHN c1cc(CN[C@H]2CC[C@H](c3ccccc3)C2)no1 ZINC000780528244 585780015 /nfs/dbraw/zinc/78/00/15/585780015.db2.gz GAZWUWHRJBCQDK-KBPBESRZSA-N 0 3 242.322 3.101 20 0 BGADHN c1cc(CN[C@H]2CC[C@@H](c3ccccc3)C2)no1 ZINC000780528246 585780055 /nfs/dbraw/zinc/78/00/55/585780055.db2.gz GAZWUWHRJBCQDK-KGLIPLIRSA-N 0 3 242.322 3.101 20 0 BGADHN c1cc(CN[C@@H]2CC[C@H](c3ccccc3)C2)no1 ZINC000780528248 585780017 /nfs/dbraw/zinc/78/00/17/585780017.db2.gz GAZWUWHRJBCQDK-UONOGXRCSA-N 0 3 242.322 3.101 20 0 BGADHN c1cc(CN[C@@H]2CC[C@@H](c3ccccc3)C2)no1 ZINC000780528249 585780022 /nfs/dbraw/zinc/78/00/22/585780022.db2.gz GAZWUWHRJBCQDK-ZIAGYGMSSA-N 0 3 242.322 3.101 20 0 BGADHN Fc1ccc(/C=C\CNC[C@H]2CCC=CO2)cc1 ZINC000780570633 585781696 /nfs/dbraw/zinc/78/16/96/585781696.db2.gz QHMKAXQYPFDVLZ-ABCZVMIZSA-N 0 3 247.313 3.121 20 0 BGADHN Fc1ccc(/C=C/CNC[C@@H]2CCC=CO2)cc1 ZINC000780570636 585781840 /nfs/dbraw/zinc/78/18/40/585781840.db2.gz QHMKAXQYPFDVLZ-BWPKMQGJSA-N 0 3 247.313 3.121 20 0 BGADHN Fc1ccc(/C=C\CNC[C@@H]2CCC=CO2)cc1 ZINC000780570637 585781736 /nfs/dbraw/zinc/78/17/36/585781736.db2.gz QHMKAXQYPFDVLZ-JZIMQPMSSA-N 0 3 247.313 3.121 20 0 BGADHN Fc1ccc(/C=C/CNC[C@H]2CCC=CO2)cc1 ZINC000780570638 585781725 /nfs/dbraw/zinc/78/17/25/585781725.db2.gz QHMKAXQYPFDVLZ-NHZBNJEXSA-N 0 3 247.313 3.121 20 0 BGADHN Cc1ccc(CNC(C)(C)CC(F)(F)F)cn1 ZINC000780586837 585781895 /nfs/dbraw/zinc/78/18/95/585781895.db2.gz GSRHVWCPWWTZSO-UHFFFAOYSA-N 0 3 246.276 3.211 20 0 BGADHN CCc1cccnc1[C@@H](C)NCCC1CCC1 ZINC000780730926 585784022 /nfs/dbraw/zinc/78/40/22/585784022.db2.gz TWHHEBZHXAGRSG-GFCCVEGCSA-N 0 3 232.371 3.485 20 0 BGADHN CCc1cccnc1[C@H](C)NCCC1CCC1 ZINC000780730932 585784005 /nfs/dbraw/zinc/78/40/05/585784005.db2.gz TWHHEBZHXAGRSG-LBPRGKRZSA-N 0 3 232.371 3.485 20 0 BGADHN CCc1cccnc1[C@@H](C)N[C@@H](C)C1(C)CC1 ZINC000780741020 585784167 /nfs/dbraw/zinc/78/41/67/585784167.db2.gz JUWKKERJIVTYTG-NEPJUHHUSA-N 0 3 232.371 3.483 20 0 BGADHN CCc1cccnc1[C@H](C)N[C@H](C)C1(C)CC1 ZINC000780741021 585784215 /nfs/dbraw/zinc/78/42/15/585784215.db2.gz JUWKKERJIVTYTG-NWDGAFQWSA-N 0 3 232.371 3.483 20 0 BGADHN CCc1cccnc1[C@H](C)N[C@@H](C)C1(C)CC1 ZINC000780741022 585784149 /nfs/dbraw/zinc/78/41/49/585784149.db2.gz JUWKKERJIVTYTG-RYUDHWBXSA-N 0 3 232.371 3.483 20 0 BGADHN CCc1cccnc1[C@@H](C)N[C@H](C)C1(C)CC1 ZINC000780741023 585784181 /nfs/dbraw/zinc/78/41/81/585784181.db2.gz JUWKKERJIVTYTG-VXGBXAGGSA-N 0 3 232.371 3.483 20 0 BGADHN CC[C@H](C)CN[C@@H]1CCCc2cn(C(C)C)nc21 ZINC000780763681 585784550 /nfs/dbraw/zinc/78/45/50/585784550.db2.gz BSSQOCBBNHWBRW-GXTWGEPZSA-N 0 3 249.402 3.477 20 0 BGADHN CC[C@H](C)CN[C@H]1CCCc2cn(C(C)C)nc21 ZINC000780763684 585784552 /nfs/dbraw/zinc/78/45/52/585784552.db2.gz BSSQOCBBNHWBRW-JSGCOSHPSA-N 0 3 249.402 3.477 20 0 BGADHN CC[C@@H](C)CN[C@H]1CCCc2cn(C(C)C)nc21 ZINC000780763685 585784595 /nfs/dbraw/zinc/78/45/95/585784595.db2.gz BSSQOCBBNHWBRW-OCCSQVGLSA-N 0 3 249.402 3.477 20 0 BGADHN CC[C@@H](C)CN[C@@H]1CCCc2cn(C(C)C)nc21 ZINC000780763686 585784738 /nfs/dbraw/zinc/78/47/38/585784738.db2.gz BSSQOCBBNHWBRW-TZMCWYRMSA-N 0 3 249.402 3.477 20 0 BGADHN CCCCCN(CCCOC)Cc1ccoc1 ZINC000780793605 585784859 /nfs/dbraw/zinc/78/48/59/585784859.db2.gz SNQVKWYSBCCGQT-UHFFFAOYSA-N 0 3 239.359 3.308 20 0 BGADHN CSc1ccccc1CN1CC[C@H]2C[C@H]21 ZINC000781338802 585794854 /nfs/dbraw/zinc/79/48/54/585794854.db2.gz WIEPQFXJOCUGME-CMPLNLGQSA-N 0 3 219.353 3.003 20 0 BGADHN CSc1ccccc1CN1CC[C@@H]2C[C@@H]21 ZINC000781338804 585794777 /nfs/dbraw/zinc/79/47/77/585794777.db2.gz WIEPQFXJOCUGME-PWSUYJOCSA-N 0 3 219.353 3.003 20 0 BGADHN CCCCCCN1CCC[C@@H](OC(F)F)C1 ZINC000781354166 585794940 /nfs/dbraw/zinc/79/49/40/585794940.db2.gz ONIRCDOLNCDKDV-LLVKDONJSA-N 0 3 235.318 3.270 20 0 BGADHN CCCCCCN1CCC[C@H](OC(F)F)C1 ZINC000781354168 585795210 /nfs/dbraw/zinc/79/52/10/585795210.db2.gz ONIRCDOLNCDKDV-NSHDSACASA-N 0 3 235.318 3.270 20 0 BGADHN C[C@H]1CC[C@@]2(CCN(Cc3ccoc3)C2)C1 ZINC000781931501 585805446 /nfs/dbraw/zinc/80/54/46/585805446.db2.gz WEYHDMFVUCEIFZ-GXTWGEPZSA-N 0 3 219.328 3.292 20 0 BGADHN C[C@H]1CC[C@]2(CCN(Cc3ccoc3)C2)C1 ZINC000781931502 585805551 /nfs/dbraw/zinc/80/55/51/585805551.db2.gz WEYHDMFVUCEIFZ-JSGCOSHPSA-N 0 3 219.328 3.292 20 0 BGADHN C[C@@H]1CC[C@]2(CCN(Cc3ccoc3)C2)C1 ZINC000781931503 585805410 /nfs/dbraw/zinc/80/54/10/585805410.db2.gz WEYHDMFVUCEIFZ-OCCSQVGLSA-N 0 3 219.328 3.292 20 0 BGADHN C[C@@H]1CC[C@@]2(CCN(Cc3ccoc3)C2)C1 ZINC000781931504 585805501 /nfs/dbraw/zinc/80/55/01/585805501.db2.gz WEYHDMFVUCEIFZ-TZMCWYRMSA-N 0 3 219.328 3.292 20 0 BGADHN C[C@@H](C1CC1)N1CCO[C@](C)(c2ccccc2)C1 ZINC000782181121 585810338 /nfs/dbraw/zinc/81/03/38/585810338.db2.gz DGLDUAIOQSPSCW-BBRMVZONSA-N 0 3 245.366 3.033 20 0 BGADHN C[C@H](C1CC1)N1CCO[C@](C)(c2ccccc2)C1 ZINC000782181122 585810213 /nfs/dbraw/zinc/81/02/13/585810213.db2.gz DGLDUAIOQSPSCW-CJNGLKHVSA-N 0 3 245.366 3.033 20 0 BGADHN C[C@H](C1CC1)N1CCO[C@@](C)(c2ccccc2)C1 ZINC000782181123 585810319 /nfs/dbraw/zinc/81/03/19/585810319.db2.gz DGLDUAIOQSPSCW-CZUORRHYSA-N 0 3 245.366 3.033 20 0 BGADHN C[C@@H](C1CC1)N1CCO[C@@](C)(c2ccccc2)C1 ZINC000782181124 585810428 /nfs/dbraw/zinc/81/04/28/585810428.db2.gz DGLDUAIOQSPSCW-XJKSGUPXSA-N 0 3 245.366 3.033 20 0 BGADHN C[C@@H](C1CC1)N1CCc2c(Cl)cccc2C1 ZINC000782181176 585810376 /nfs/dbraw/zinc/81/03/76/585810376.db2.gz FKGCBAHNTFXQAF-JTQLQIEISA-N 0 3 235.758 3.497 20 0 BGADHN C[C@H](C1CC1)N1CCc2c(Cl)cccc2C1 ZINC000782181183 585810455 /nfs/dbraw/zinc/81/04/55/585810455.db2.gz FKGCBAHNTFXQAF-SNVBAGLBSA-N 0 3 235.758 3.497 20 0 BGADHN Cc1ccccc1[C@@H]1CN([C@@H](C)C2CC2)CCO1 ZINC000782182274 582870374 /nfs/dbraw/zinc/87/03/74/582870374.db2.gz YHMWWRNROXBJIY-BBRMVZONSA-N 0 3 245.366 3.167 20 0 BGADHN Cc1ccccc1[C@@H]1CN([C@H](C)C2CC2)CCO1 ZINC000782182281 582870382 /nfs/dbraw/zinc/87/03/82/582870382.db2.gz YHMWWRNROXBJIY-CJNGLKHVSA-N 0 3 245.366 3.167 20 0 BGADHN Cc1ccccc1[C@H]1CN([C@H](C)C2CC2)CCO1 ZINC000782182287 582869895 /nfs/dbraw/zinc/86/98/95/582869895.db2.gz YHMWWRNROXBJIY-CZUORRHYSA-N 0 3 245.366 3.167 20 0 BGADHN Cc1ccccc1[C@H]1CN([C@@H](C)C2CC2)CCO1 ZINC000782182297 582870020 /nfs/dbraw/zinc/87/00/20/582870020.db2.gz YHMWWRNROXBJIY-XJKSGUPXSA-N 0 3 245.366 3.167 20 0 BGADHN CO[C@@H](C)CN1CC=C(c2ccc(C)cc2)CC1 ZINC000782444433 585818250 /nfs/dbraw/zinc/81/82/50/585818250.db2.gz KLKDLCCWKBDFES-AWEZNQCLSA-N 0 3 245.366 3.119 20 0 BGADHN CO[C@H](C)CN1CC=C(c2ccc(C)cc2)CC1 ZINC000782444434 585818268 /nfs/dbraw/zinc/81/82/68/585818268.db2.gz KLKDLCCWKBDFES-CQSZACIVSA-N 0 3 245.366 3.119 20 0 BGADHN Cc1oncc1CN(C1CC1)C1CCCCC1 ZINC000782477942 585818690 /nfs/dbraw/zinc/81/86/90/585818690.db2.gz DBJHDVYAIGMYQD-UHFFFAOYSA-N 0 3 234.343 3.280 20 0 BGADHN CCC(CC)N(Cc1cnoc1C)C1CC1 ZINC000782487187 585819097 /nfs/dbraw/zinc/81/90/97/585819097.db2.gz DTHJOOFPPPPSEB-UHFFFAOYSA-N 0 3 222.332 3.136 20 0 BGADHN CCN(C)Cc1ccccc1N1CCCCC1 ZINC000782491928 585819037 /nfs/dbraw/zinc/81/90/37/585819037.db2.gz FVEAZCUUSWITAX-UHFFFAOYSA-N 0 3 232.371 3.129 20 0 BGADHN Cc1oncc1CN1CCC(CC(C)C)CC1 ZINC000782511532 585819306 /nfs/dbraw/zinc/81/93/06/585819306.db2.gz XVNUQRBPJFCLHM-UHFFFAOYSA-N 0 3 236.359 3.241 20 0 BGADHN Cc1cc(CNCc2ccccc2C(C)C)n[nH]1 ZINC000782539218 585819843 /nfs/dbraw/zinc/81/98/43/585819843.db2.gz HQAGSSVLVFGHCS-UHFFFAOYSA-N 0 3 243.354 3.131 20 0 BGADHN CC(C)c1ccccc1CNCC1=CCCOC1 ZINC000782539541 585819846 /nfs/dbraw/zinc/81/98/46/585819846.db2.gz LFVXZEFYFWTMPD-UHFFFAOYSA-N 0 3 245.366 3.246 20 0 BGADHN Cc1n[nH]cc1CNCc1ccccc1C(C)C ZINC000782539545 585819879 /nfs/dbraw/zinc/81/98/79/585819879.db2.gz LIUFDTCKZNJUMM-UHFFFAOYSA-N 0 3 243.354 3.131 20 0 BGADHN CC(C)c1ccccc1CNCc1ccn(C)c1 ZINC000782540312 585819798 /nfs/dbraw/zinc/81/97/98/585819798.db2.gz UJRZIYVINZAOHU-UHFFFAOYSA-N 0 3 242.366 3.438 20 0 BGADHN CC(C)c1ccccc1CNCc1cccnc1 ZINC000782540622 585819825 /nfs/dbraw/zinc/81/98/25/585819825.db2.gz XJEFPCGQEGTVLY-UHFFFAOYSA-N 0 3 240.350 3.495 20 0 BGADHN CCCCCCN1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000782619079 585822775 /nfs/dbraw/zinc/82/27/75/585822775.db2.gz CRWGRVOYEYNFRD-AVGNSLFASA-N 0 3 213.365 3.064 20 0 BGADHN CCCCCCN1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000782619109 585822808 /nfs/dbraw/zinc/82/28/08/585822808.db2.gz CRWGRVOYEYNFRD-RWMBFGLXSA-N 0 3 213.365 3.064 20 0 BGADHN CCCCCCN1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000782619111 585822918 /nfs/dbraw/zinc/82/29/18/585822918.db2.gz CRWGRVOYEYNFRD-XQQFMLRXSA-N 0 3 213.365 3.064 20 0 BGADHN CCCCCCN1C[C@H](C)O[C@H](C)[C@H]1C ZINC000782619114 585822886 /nfs/dbraw/zinc/82/28/86/585822886.db2.gz CRWGRVOYEYNFRD-YNEHKIRRSA-N 0 3 213.365 3.064 20 0 BGADHN Cl/C=C/CN1CCCC2(CCCC2)C1 ZINC000782637841 585823895 /nfs/dbraw/zinc/82/38/95/585823895.db2.gz YNAOVGZCIYZNTO-XBXARRHUSA-N 0 3 213.752 3.395 20 0 BGADHN Cl/C=C\CN1CCCC2(CCCC2)C1 ZINC000782637842 585823882 /nfs/dbraw/zinc/82/38/82/585823882.db2.gz YNAOVGZCIYZNTO-YWEYNIOJSA-N 0 3 213.752 3.395 20 0 BGADHN C[C@@H](NCc1ccc(CF)cc1)c1cccnc1 ZINC000782983382 644748792 /nfs/dbraw/zinc/74/87/92/644748792.db2.gz OSYYGZIFNDQMGX-GFCCVEGCSA-N 0 3 244.313 3.402 20 0 BGADHN C[C@H](NCc1ccc(CF)cc1)c1cccnc1 ZINC000782983383 644749604 /nfs/dbraw/zinc/74/96/04/644749604.db2.gz OSYYGZIFNDQMGX-LBPRGKRZSA-N 0 3 244.313 3.402 20 0 BGADHN CCCCOc1ncccc1CN[C@@H]1CC[C@@H]1C ZINC000783223574 585831301 /nfs/dbraw/zinc/83/13/01/585831301.db2.gz KYBMEUKJGFAHDG-GXTWGEPZSA-N 0 3 248.370 3.149 20 0 BGADHN CCCCOc1ncccc1CN[C@H]1CC[C@@H]1C ZINC000783223575 585831154 /nfs/dbraw/zinc/83/11/54/585831154.db2.gz KYBMEUKJGFAHDG-JSGCOSHPSA-N 0 3 248.370 3.149 20 0 BGADHN C[C@H]1CC[C@H]1NCc1coc(-c2cccs2)n1 ZINC000783226663 585831416 /nfs/dbraw/zinc/83/14/16/585831416.db2.gz RWZAXUKTDYETGJ-GXSJLCMTSA-N 0 3 248.351 3.291 20 0 BGADHN C[C@@H]1CC[C@@H]1NCc1coc(-c2cccs2)n1 ZINC000783226664 582949905 /nfs/dbraw/zinc/94/99/05/582949905.db2.gz RWZAXUKTDYETGJ-KOLCDFICSA-N 0 3 248.351 3.291 20 0 BGADHN C[C@@H]1CC[C@H]1NCc1coc(-c2cccs2)n1 ZINC000783226665 582949910 /nfs/dbraw/zinc/94/99/10/582949910.db2.gz RWZAXUKTDYETGJ-MWLCHTKSSA-N 0 3 248.351 3.291 20 0 BGADHN C[C@H]1CC[C@@H]1NCc1coc(-c2cccs2)n1 ZINC000783226666 582949914 /nfs/dbraw/zinc/94/99/14/582949914.db2.gz RWZAXUKTDYETGJ-ONGXEEELSA-N 0 3 248.351 3.291 20 0 BGADHN C[C@@H]1CC[C@H]1NCc1cc(-c2ccccc2)on1 ZINC000783238858 585831722 /nfs/dbraw/zinc/83/17/22/585831722.db2.gz ULSZKVHNWQPTCD-BXUZGUMPSA-N 0 3 242.322 3.230 20 0 BGADHN C[C@H]1CC[C@@H]1NCc1cc(-c2ccccc2)on1 ZINC000783238860 585831642 /nfs/dbraw/zinc/83/16/42/585831642.db2.gz ULSZKVHNWQPTCD-FZMZJTMJSA-N 0 3 242.322 3.230 20 0 BGADHN C[C@@H]1CC[C@@H]1NCc1cc(-c2ccccc2)on1 ZINC000783238862 585831760 /nfs/dbraw/zinc/83/17/60/585831760.db2.gz ULSZKVHNWQPTCD-RISCZKNCSA-N 0 3 242.322 3.230 20 0 BGADHN C[C@H]1CC[C@H]1NCc1cc(-c2ccccc2)on1 ZINC000783238863 585831774 /nfs/dbraw/zinc/83/17/74/585831774.db2.gz ULSZKVHNWQPTCD-SMDDNHRTSA-N 0 3 242.322 3.230 20 0 BGADHN CCC(CC)c1cc(CN[C@H]2CC[C@@H]2C)on1 ZINC000783242364 585831937 /nfs/dbraw/zinc/83/19/37/585831937.db2.gz CUDVTZOQXGRXLB-GWCFXTLKSA-N 0 3 236.359 3.466 20 0 BGADHN CCC(CC)c1cc(CN[C@@H]2CC[C@@H]2C)on1 ZINC000783242368 585831834 /nfs/dbraw/zinc/83/18/34/585831834.db2.gz CUDVTZOQXGRXLB-GXFFZTMASA-N 0 3 236.359 3.466 20 0 BGADHN CCC(CC)c1cc(CN[C@H]2CC[C@H]2C)on1 ZINC000783242371 585831794 /nfs/dbraw/zinc/83/17/94/585831794.db2.gz CUDVTZOQXGRXLB-MFKMUULPSA-N 0 3 236.359 3.466 20 0 BGADHN CCC(CC)c1cc(CN[C@@H]2CC[C@H]2C)on1 ZINC000783242374 585831941 /nfs/dbraw/zinc/83/19/41/585831941.db2.gz CUDVTZOQXGRXLB-ZWNOBZJWSA-N 0 3 236.359 3.466 20 0 BGADHN C[C@@H]1CC[C@@H]1N[C@H]1CCOc2ccc(F)cc21 ZINC000783244897 585831900 /nfs/dbraw/zinc/83/19/00/585831900.db2.gz NYBOSFASQUQULD-ICCXJUOJSA-N 0 3 235.302 3.037 20 0 BGADHN C[C@@H]1CC[C@@H]1N[C@@H]1CCOc2ccc(F)cc21 ZINC000783244901 585831956 /nfs/dbraw/zinc/83/19/56/585831956.db2.gz NYBOSFASQUQULD-JIMOISOXSA-N 0 3 235.302 3.037 20 0 BGADHN C[C@@H]1CC[C@H]1N[C@@H]1CCOc2ccc(F)cc21 ZINC000783244902 585831911 /nfs/dbraw/zinc/83/19/11/585831911.db2.gz NYBOSFASQUQULD-OASPWFOLSA-N 0 3 235.302 3.037 20 0 BGADHN C[C@@H]1CC[C@H]1N[C@H]1CCOc2ccc(F)cc21 ZINC000783244903 585831806 /nfs/dbraw/zinc/83/18/06/585831806.db2.gz NYBOSFASQUQULD-WQAKAFBOSA-N 0 3 235.302 3.037 20 0 BGADHN Cc1ccc2c(c1C)OC[C@@H]2N[C@H]1CC[C@@H]1C ZINC000783245620 585832212 /nfs/dbraw/zinc/83/22/12/585832212.db2.gz VOWUZUQZXPPPEI-BPNCWPANSA-N 0 3 231.339 3.125 20 0 BGADHN Cc1ccc2c(c1C)OC[C@@H]2N[C@@H]1CC[C@@H]1C ZINC000783245622 585832088 /nfs/dbraw/zinc/83/20/88/585832088.db2.gz VOWUZUQZXPPPEI-GDLCADMTSA-N 0 3 231.339 3.125 20 0 BGADHN Cc1ccc2c(c1C)OC[C@@H]2N[C@@H]1CC[C@H]1C ZINC000783245623 582953267 /nfs/dbraw/zinc/95/32/67/582953267.db2.gz VOWUZUQZXPPPEI-HONMWMINSA-N 0 3 231.339 3.125 20 0 BGADHN Cc1ccc2c(c1C)OC[C@@H]2N[C@H]1CC[C@H]1C ZINC000783245761 582953021 /nfs/dbraw/zinc/95/30/21/582953021.db2.gz VOWUZUQZXPPPEI-SWHYSGLUSA-N 0 3 231.339 3.125 20 0 BGADHN C[C@H]1CC[C@H]1NCc1csc(-c2ccco2)n1 ZINC000783248173 585832065 /nfs/dbraw/zinc/83/20/65/585832065.db2.gz MLTLIXYGJYDXPK-GXSJLCMTSA-N 0 3 248.351 3.291 20 0 BGADHN C[C@@H]1CC[C@@H]1NCc1csc(-c2ccco2)n1 ZINC000783248174 585832149 /nfs/dbraw/zinc/83/21/49/585832149.db2.gz MLTLIXYGJYDXPK-KOLCDFICSA-N 0 3 248.351 3.291 20 0 BGADHN C[C@@H]1CC[C@H]1NCc1csc(-c2ccco2)n1 ZINC000783248175 585832225 /nfs/dbraw/zinc/83/22/25/585832225.db2.gz MLTLIXYGJYDXPK-MWLCHTKSSA-N 0 3 248.351 3.291 20 0 BGADHN C[C@H]1CC[C@@H]1NCc1csc(-c2ccco2)n1 ZINC000783248176 585832096 /nfs/dbraw/zinc/83/20/96/585832096.db2.gz MLTLIXYGJYDXPK-ONGXEEELSA-N 0 3 248.351 3.291 20 0 BGADHN C[C@H]1CC[C@@H]1NCc1cccc(OC(C)(C)C)n1 ZINC000783260301 585832727 /nfs/dbraw/zinc/83/27/27/585832727.db2.gz YNYGZCNNUUOQNP-AAEUAGOBSA-N 0 3 248.370 3.147 20 0 BGADHN C[C@@H]1CC[C@H]1NCc1cccc(OC(C)(C)C)n1 ZINC000783260303 585832543 /nfs/dbraw/zinc/83/25/43/585832543.db2.gz YNYGZCNNUUOQNP-DGCLKSJQSA-N 0 3 248.370 3.147 20 0 BGADHN C[C@H]1CC[C@H]1NCc1cccc(OC(C)(C)C)n1 ZINC000783260305 585832561 /nfs/dbraw/zinc/83/25/61/585832561.db2.gz YNYGZCNNUUOQNP-WCQYABFASA-N 0 3 248.370 3.147 20 0 BGADHN C[C@@H]1CC[C@@H]1NCc1cccc(OC(C)(C)C)n1 ZINC000783260306 585832680 /nfs/dbraw/zinc/83/26/80/585832680.db2.gz YNYGZCNNUUOQNP-YPMHNXCESA-N 0 3 248.370 3.147 20 0 BGADHN COCC[C@H](N[C@H]1CC[C@@H]1C)c1ccc(C)o1 ZINC000783288332 585832982 /nfs/dbraw/zinc/83/29/82/585832982.db2.gz VULYFGXOCUEEJY-DRZSPHRISA-N 0 3 237.343 3.054 20 0 BGADHN COCC[C@H](N[C@@H]1CC[C@H]1C)c1ccc(C)o1 ZINC000783288333 585833133 /nfs/dbraw/zinc/83/31/33/585833133.db2.gz VULYFGXOCUEEJY-RTXFEEFZSA-N 0 3 237.343 3.054 20 0 BGADHN COCC[C@H](N[C@@H]1CC[C@@H]1C)c1ccc(C)o1 ZINC000783288334 585832955 /nfs/dbraw/zinc/83/29/55/585832955.db2.gz VULYFGXOCUEEJY-UHTWSYAYSA-N 0 3 237.343 3.054 20 0 BGADHN COCC[C@H](N[C@H]1CC[C@H]1C)c1ccc(C)o1 ZINC000783288335 585833172 /nfs/dbraw/zinc/83/31/72/585833172.db2.gz VULYFGXOCUEEJY-WXHSDQCUSA-N 0 3 237.343 3.054 20 0 BGADHN CC(C)n1cc2c(n1)[C@@H](N[C@@H]1CC[C@H]1C)CCC2 ZINC000783295391 585833257 /nfs/dbraw/zinc/83/32/57/585833257.db2.gz UPFNOZMPYOMWLB-BNOWGMLFSA-N 0 3 247.386 3.230 20 0 BGADHN CC(C)n1cc2c(n1)[C@H](N[C@H]1CC[C@H]1C)CCC2 ZINC000783295392 585833500 /nfs/dbraw/zinc/83/35/00/585833500.db2.gz UPFNOZMPYOMWLB-KWCYVHTRSA-N 0 3 247.386 3.230 20 0 BGADHN CC(C)n1cc2c(n1)[C@H](N[C@@H]1CC[C@H]1C)CCC2 ZINC000783295393 585833281 /nfs/dbraw/zinc/83/32/81/585833281.db2.gz UPFNOZMPYOMWLB-MRVWCRGKSA-N 0 3 247.386 3.230 20 0 BGADHN CC(C)n1cc2c(n1)[C@@H](N[C@H]1CC[C@H]1C)CCC2 ZINC000783295394 585833431 /nfs/dbraw/zinc/83/34/31/585833431.db2.gz UPFNOZMPYOMWLB-XBFCOCLRSA-N 0 3 247.386 3.230 20 0 BGADHN Cc1ccc([C@H](C)NC[C@H]2CCC=CO2)c(C)n1 ZINC000783303824 585833381 /nfs/dbraw/zinc/83/33/81/585833381.db2.gz LIOQZEJTMBUMNM-GXTWGEPZSA-N 0 3 246.354 3.042 20 0 BGADHN Cc1ccc([C@H](C)NC[C@@H]2CCC=CO2)c(C)n1 ZINC000783303825 585833754 /nfs/dbraw/zinc/83/37/54/585833754.db2.gz LIOQZEJTMBUMNM-JSGCOSHPSA-N 0 3 246.354 3.042 20 0 BGADHN Cc1ccc([C@@H](C)NC[C@@H]2CCC=CO2)c(C)n1 ZINC000783303826 585833516 /nfs/dbraw/zinc/83/35/16/585833516.db2.gz LIOQZEJTMBUMNM-OCCSQVGLSA-N 0 3 246.354 3.042 20 0 BGADHN Cc1ccc([C@@H](C)NC[C@H]2CCC=CO2)c(C)n1 ZINC000783303827 585833702 /nfs/dbraw/zinc/83/37/02/585833702.db2.gz LIOQZEJTMBUMNM-TZMCWYRMSA-N 0 3 246.354 3.042 20 0 BGADHN CCC[C@H](NC[C@H]1CCC=CO1)c1cccnc1 ZINC000783305158 585833514 /nfs/dbraw/zinc/83/35/14/585833514.db2.gz PBECYJVYWUBWCG-CABCVRRESA-N 0 3 246.354 3.205 20 0 BGADHN CCC[C@H](NC[C@@H]1CCC=CO1)c1cccnc1 ZINC000783305159 585833720 /nfs/dbraw/zinc/83/37/20/585833720.db2.gz PBECYJVYWUBWCG-GJZGRUSLSA-N 0 3 246.354 3.205 20 0 BGADHN CCC[C@@H](NC[C@H]1CCC=CO1)c1cccnc1 ZINC000783305160 585833623 /nfs/dbraw/zinc/83/36/23/585833623.db2.gz PBECYJVYWUBWCG-HUUCEWRRSA-N 0 3 246.354 3.205 20 0 BGADHN CCC[C@@H](NC[C@@H]1CCC=CO1)c1cccnc1 ZINC000783305161 585833773 /nfs/dbraw/zinc/83/37/73/585833773.db2.gz PBECYJVYWUBWCG-LSDHHAIUSA-N 0 3 246.354 3.205 20 0 BGADHN CCc1noc(C)c1[C@H](C)N[C@@H]1CC[C@H](C)C1 ZINC000783306665 585833552 /nfs/dbraw/zinc/83/35/52/585833552.db2.gz JKKVCMJCUAPRQT-JBLDHEPKSA-N 0 3 236.359 3.385 20 0 BGADHN CCc1noc(C)c1[C@H](C)N[C@@H]1CC[C@@H](C)C1 ZINC000783306666 585833648 /nfs/dbraw/zinc/83/36/48/585833648.db2.gz JKKVCMJCUAPRQT-JFGNBEQYSA-N 0 3 236.359 3.385 20 0 BGADHN CCc1noc(C)c1[C@H](C)N[C@H]1CC[C@H](C)C1 ZINC000783306667 585833691 /nfs/dbraw/zinc/83/36/91/585833691.db2.gz JKKVCMJCUAPRQT-NHCYSSNCSA-N 0 3 236.359 3.385 20 0 BGADHN CCc1noc(C)c1[C@H](C)N[C@H]1CC[C@@H](C)C1 ZINC000783306668 585833592 /nfs/dbraw/zinc/83/35/92/585833592.db2.gz JKKVCMJCUAPRQT-SCVCMEIPSA-N 0 3 236.359 3.385 20 0 BGADHN CCC[C@H](NC[C@@H]1CCC=CO1)c1ccccn1 ZINC000783310266 585833695 /nfs/dbraw/zinc/83/36/95/585833695.db2.gz MZZSAHAJMYYGTA-KBPBESRZSA-N 0 3 246.354 3.205 20 0 BGADHN CCC[C@H](NC[C@H]1CCC=CO1)c1ccccn1 ZINC000783310267 585833782 /nfs/dbraw/zinc/83/37/82/585833782.db2.gz MZZSAHAJMYYGTA-KGLIPLIRSA-N 0 3 246.354 3.205 20 0 BGADHN CCC[C@@H](NC[C@@H]1CCC=CO1)c1ccccn1 ZINC000783310270 585833639 /nfs/dbraw/zinc/83/36/39/585833639.db2.gz MZZSAHAJMYYGTA-UONOGXRCSA-N 0 3 246.354 3.205 20 0 BGADHN CCC[C@@H](NC[C@H]1CCC=CO1)c1ccccn1 ZINC000783310271 585833679 /nfs/dbraw/zinc/83/36/79/585833679.db2.gz MZZSAHAJMYYGTA-ZIAGYGMSSA-N 0 3 246.354 3.205 20 0 BGADHN CCc1ccc([C@H](C)NC[C@@H]2CCC=CO2)o1 ZINC000783310570 585833598 /nfs/dbraw/zinc/83/35/98/585833598.db2.gz POIKARPASHHXIV-AAEUAGOBSA-N 0 3 235.327 3.185 20 0 BGADHN CCc1ccc([C@@H](C)NC[C@H]2CCC=CO2)o1 ZINC000783310571 585833629 /nfs/dbraw/zinc/83/36/29/585833629.db2.gz POIKARPASHHXIV-DGCLKSJQSA-N 0 3 235.327 3.185 20 0 BGADHN CCc1ccc([C@H](C)NC[C@H]2CCC=CO2)o1 ZINC000783310572 585833556 /nfs/dbraw/zinc/83/35/56/585833556.db2.gz POIKARPASHHXIV-WCQYABFASA-N 0 3 235.327 3.185 20 0 BGADHN CCc1ccc([C@@H](C)NC[C@@H]2CCC=CO2)o1 ZINC000783310573 585833574 /nfs/dbraw/zinc/83/35/74/585833574.db2.gz POIKARPASHHXIV-YPMHNXCESA-N 0 3 235.327 3.185 20 0 BGADHN CC(C)c1ccccc1CN[C@@H]1C[C@H](O)C1(C)C ZINC000783317595 585833659 /nfs/dbraw/zinc/83/36/59/585833659.db2.gz XCLKSOMLQQOMKV-CABCVRRESA-N 0 3 247.382 3.059 20 0 BGADHN CC(C)c1ccccc1CN[C@H]1C[C@H](O)C1(C)C ZINC000783317596 585833677 /nfs/dbraw/zinc/83/36/77/585833677.db2.gz XCLKSOMLQQOMKV-GJZGRUSLSA-N 0 3 247.382 3.059 20 0 BGADHN CC(C)c1ccccc1CN[C@@H]1C[C@@H](O)C1(C)C ZINC000783317597 585833563 /nfs/dbraw/zinc/83/35/63/585833563.db2.gz XCLKSOMLQQOMKV-HUUCEWRRSA-N 0 3 247.382 3.059 20 0 BGADHN CC(C)c1ccccc1CN[C@H]1C[C@@H](O)C1(C)C ZINC000783317599 585833637 /nfs/dbraw/zinc/83/36/37/585833637.db2.gz XCLKSOMLQQOMKV-LSDHHAIUSA-N 0 3 247.382 3.059 20 0 BGADHN C[C@@H]1CC[C@@H]1N[C@@H]1CCOc2c(F)cccc21 ZINC000783330205 585833671 /nfs/dbraw/zinc/83/36/71/585833671.db2.gz MCLFKVCPGVXVIY-JIMOISOXSA-N 0 3 235.302 3.037 20 0 BGADHN C[C@@H]1CC[C@H]1N[C@@H]1CCOc2c(F)cccc21 ZINC000783330206 585833547 /nfs/dbraw/zinc/83/35/47/585833547.db2.gz MCLFKVCPGVXVIY-OASPWFOLSA-N 0 3 235.302 3.037 20 0 BGADHN C[C@H]1CC[C@@H]1N[C@@H]1CCOc2c(F)cccc21 ZINC000783330207 585833713 /nfs/dbraw/zinc/83/37/13/585833713.db2.gz MCLFKVCPGVXVIY-TVYUQYBPSA-N 0 3 235.302 3.037 20 0 BGADHN C[C@H]1CC[C@H]1N[C@@H]1CCOc2c(F)cccc21 ZINC000783330208 585833586 /nfs/dbraw/zinc/83/35/86/585833586.db2.gz MCLFKVCPGVXVIY-ZWKOPEQDSA-N 0 3 235.302 3.037 20 0 BGADHN CCOCOc1ccc(CN2CCC2(C)C)cc1 ZINC000783476240 585835649 /nfs/dbraw/zinc/83/56/49/585835649.db2.gz WWXUQOFPSKPHNQ-UHFFFAOYSA-N 0 3 249.354 3.044 20 0 BGADHN CCOCOc1ccc(CN2CCCCC2)cc1 ZINC000783504776 585835786 /nfs/dbraw/zinc/83/57/86/585835786.db2.gz MJZOBKSDQATKLM-UHFFFAOYSA-N 0 3 249.354 3.045 20 0 BGADHN Cc1ccc(N[C@@H]2CC[C@@H]2C)c(CN(C)C)c1 ZINC000783584285 585837426 /nfs/dbraw/zinc/83/74/26/585837426.db2.gz KVJCYIJILQEYKN-GXTWGEPZSA-N 0 3 232.371 3.267 20 0 BGADHN Cc1ccc(N[C@H]2CC[C@@H]2C)c(CN(C)C)c1 ZINC000783584286 585837606 /nfs/dbraw/zinc/83/76/06/585837606.db2.gz KVJCYIJILQEYKN-JSGCOSHPSA-N 0 3 232.371 3.267 20 0 BGADHN Cc1ccc(N[C@H]2CC[C@H]2C)c(CN(C)C)c1 ZINC000783584287 585837550 /nfs/dbraw/zinc/83/75/50/585837550.db2.gz KVJCYIJILQEYKN-OCCSQVGLSA-N 0 3 232.371 3.267 20 0 BGADHN Cc1ccc(N[C@@H]2CC[C@H]2C)c(CN(C)C)c1 ZINC000783584288 585837502 /nfs/dbraw/zinc/83/75/02/585837502.db2.gz KVJCYIJILQEYKN-TZMCWYRMSA-N 0 3 232.371 3.267 20 0 BGADHN CC[C@H](C)N1CCN(c2ccc(C)c(C)c2)CC1 ZINC000783648304 585839348 /nfs/dbraw/zinc/83/93/48/585839348.db2.gz WRWMVWAJVDARFN-HNNXBMFYSA-N 0 3 246.398 3.224 20 0 BGADHN CC[C@@H](C)N1CCN(c2ccc(C)c(C)c2)CC1 ZINC000783648305 585839442 /nfs/dbraw/zinc/83/94/42/585839442.db2.gz WRWMVWAJVDARFN-OAHLLOKOSA-N 0 3 246.398 3.224 20 0 BGADHN CC[C@@H](C)N(CC)Cc1cccc2c1OCCO2 ZINC000783650751 585839445 /nfs/dbraw/zinc/83/94/45/585839445.db2.gz GERYJVPADSGRQX-GFCCVEGCSA-N 0 3 249.354 3.078 20 0 BGADHN CC[C@H](C)N(CC)Cc1cccc2c1OCCO2 ZINC000783650752 585839359 /nfs/dbraw/zinc/83/93/59/585839359.db2.gz GERYJVPADSGRQX-LBPRGKRZSA-N 0 3 249.354 3.078 20 0 BGADHN CN(Cc1ccoc1)CC1(c2ccccc2)CC1 ZINC000783701655 585840694 /nfs/dbraw/zinc/84/06/94/585840694.db2.gz ZVTJQVUFPGWSPU-UHFFFAOYSA-N 0 3 241.334 3.443 20 0 BGADHN Fc1ccc(CN2CCCC3(CCCC3)C2)cn1 ZINC000783744882 585841936 /nfs/dbraw/zinc/84/19/36/585841936.db2.gz KMYLQHJQRUAVAZ-UHFFFAOYSA-N 0 3 248.345 3.377 20 0 BGADHN c1cc(CN2CCCC3(CCCC3)C2)co1 ZINC000783746456 585841780 /nfs/dbraw/zinc/84/17/80/585841780.db2.gz XBKTZENFXXTQEP-UHFFFAOYSA-N 0 3 219.328 3.436 20 0 BGADHN Clc1ccccc1CCCN1CC[C@H]2C[C@H]21 ZINC000784223327 585853135 /nfs/dbraw/zinc/85/31/35/585853135.db2.gz PPYQYZZJFFFCTQ-GXTWGEPZSA-N 0 3 235.758 3.367 20 0 BGADHN Clc1ccccc1CCCN1CC[C@@H]2C[C@@H]21 ZINC000784223329 585853070 /nfs/dbraw/zinc/85/30/70/585853070.db2.gz PPYQYZZJFFFCTQ-OCCSQVGLSA-N 0 3 235.758 3.367 20 0 BGADHN Cc1ccc(N2CCN(C3CCCC3)CC2)cc1 ZINC000784388019 585857751 /nfs/dbraw/zinc/85/77/51/585857751.db2.gz JERWGSLIFGNZIV-UHFFFAOYSA-N 0 3 244.382 3.060 20 0 BGADHN C[C@@H]1CCCC[C@H]1CNCc1cccc(F)n1 ZINC000784588278 585864061 /nfs/dbraw/zinc/86/40/61/585864061.db2.gz QDOFOEGRNJVNMQ-NEPJUHHUSA-N 0 3 236.334 3.137 20 0 BGADHN C[C@H]1CCCC[C@@H]1CNCc1cccc(F)n1 ZINC000784588279 585864056 /nfs/dbraw/zinc/86/40/56/585864056.db2.gz QDOFOEGRNJVNMQ-NWDGAFQWSA-N 0 3 236.334 3.137 20 0 BGADHN C[C@H]1CCCC[C@H]1CNCc1cccc(F)n1 ZINC000784588280 585863947 /nfs/dbraw/zinc/86/39/47/585863947.db2.gz QDOFOEGRNJVNMQ-RYUDHWBXSA-N 0 3 236.334 3.137 20 0 BGADHN C[C@@H]1CCCC[C@@H]1CNCc1cccc(F)n1 ZINC000784588281 585863987 /nfs/dbraw/zinc/86/39/87/585863987.db2.gz QDOFOEGRNJVNMQ-VXGBXAGGSA-N 0 3 236.334 3.137 20 0 BGADHN C(NC12CCC(CC1)C2)c1nc2c(s1)CCC2 ZINC000784640331 585864959 /nfs/dbraw/zinc/86/49/59/585864959.db2.gz IDEYALLNFPAEKP-UHFFFAOYSA-N 0 3 248.395 3.054 20 0 BGADHN Fc1ccc(CNC23CCC(CC2)C3)c(F)c1 ZINC000784640700 585865070 /nfs/dbraw/zinc/86/50/70/585865070.db2.gz PBVJFFVSMHSSEA-UHFFFAOYSA-N 0 3 237.293 3.387 20 0 BGADHN c1sc(C2CC2)nc1CNC12CCC(CC1)C2 ZINC000784643905 585865239 /nfs/dbraw/zinc/86/52/39/585865239.db2.gz ONSOCULNTOFSEW-UHFFFAOYSA-N 0 3 248.395 3.443 20 0 BGADHN Fc1ccc(F)c(CNC23CCC(CC2)C3)c1 ZINC000784644260 585865154 /nfs/dbraw/zinc/86/51/54/585865154.db2.gz SWOJIMBNHDJXOF-UHFFFAOYSA-N 0 3 237.293 3.387 20 0 BGADHN Fc1cccc(CNC23CCC(CC2)C3)c1F ZINC000784644556 585865156 /nfs/dbraw/zinc/86/51/56/585865156.db2.gz YKJQBWSKOCECGI-UHFFFAOYSA-N 0 3 237.293 3.387 20 0 BGADHN Fc1cccc(NCCCNCc2ccoc2)c1 ZINC000784665576 585865323 /nfs/dbraw/zinc/86/53/23/585865323.db2.gz FGIMZRMHKYBCAB-UHFFFAOYSA-N 0 3 248.301 3.011 20 0 BGADHN Cc1cccc(CNCc2ccc(F)nc2C)c1 ZINC000785417843 585872961 /nfs/dbraw/zinc/87/29/61/585872961.db2.gz SYUTXGQBTBSIEQ-UHFFFAOYSA-N 0 3 244.313 3.127 20 0 BGADHN CCCCCCN1CCO[C@](C)(CC)C1 ZINC000785492852 585874424 /nfs/dbraw/zinc/87/44/24/585874424.db2.gz IBWOIQOBSUGLEH-CYBMUJFWSA-N 0 3 213.365 3.068 20 0 BGADHN CCCCCCN1CCO[C@@](C)(CC)C1 ZINC000785492856 585874501 /nfs/dbraw/zinc/87/45/01/585874501.db2.gz IBWOIQOBSUGLEH-ZDUSSCGKSA-N 0 3 213.365 3.068 20 0 BGADHN CC(C)n1cc2c(n1)[C@H](NCC1(C)CC1)CCC2 ZINC000785515563 585875046 /nfs/dbraw/zinc/87/50/46/585875046.db2.gz ZYFLJLZIFBWGJY-CYBMUJFWSA-N 0 3 247.386 3.231 20 0 BGADHN CC(C)n1cc2c(n1)[C@@H](NCC1(C)CC1)CCC2 ZINC000785515564 585874981 /nfs/dbraw/zinc/87/49/81/585874981.db2.gz ZYFLJLZIFBWGJY-ZDUSSCGKSA-N 0 3 247.386 3.231 20 0 BGADHN C[C@H]1CC[C@H]1N[C@H]1CCOc2c(F)cccc21 ZINC000785569965 585875779 /nfs/dbraw/zinc/87/57/79/585875779.db2.gz MCLFKVCPGVXVIY-BIMULSAOSA-N 0 3 235.302 3.037 20 0 BGADHN C[C@@H]1CC[C@@H]1N[C@H]1CCOc2c(F)cccc21 ZINC000785569967 585875744 /nfs/dbraw/zinc/87/57/44/585875744.db2.gz MCLFKVCPGVXVIY-ICCXJUOJSA-N 0 3 235.302 3.037 20 0 BGADHN C[C@@H]1CC[C@H]1N[C@H]1CCOc2c(F)cccc21 ZINC000785569969 585875850 /nfs/dbraw/zinc/87/58/50/585875850.db2.gz MCLFKVCPGVXVIY-WQAKAFBOSA-N 0 3 235.302 3.037 20 0 BGADHN C[C@H]1CC[C@@H]1N[C@H]1CCOc2c(F)cccc21 ZINC000785569970 585875914 /nfs/dbraw/zinc/87/59/14/585875914.db2.gz MCLFKVCPGVXVIY-XDTLVQLUSA-N 0 3 235.302 3.037 20 0 BGADHN COc1ccc2c(c1)nccc2NC[C@H]1C[C@H]1C ZINC000785778218 585880836 /nfs/dbraw/zinc/88/08/36/585880836.db2.gz KFAKZWRYTUPXHB-GHMZBOCLSA-N 0 3 242.322 3.311 20 0 BGADHN COc1ccc2c(c1)nccc2NC[C@@H]1C[C@H]1C ZINC000785778219 585880748 /nfs/dbraw/zinc/88/07/48/585880748.db2.gz KFAKZWRYTUPXHB-MNOVXSKESA-N 0 3 242.322 3.311 20 0 BGADHN COc1ccc2c(c1)nccc2NC[C@@H]1C[C@@H]1C ZINC000785778221 585880865 /nfs/dbraw/zinc/88/08/65/585880865.db2.gz KFAKZWRYTUPXHB-QWRGUYRKSA-N 0 3 242.322 3.311 20 0 BGADHN COc1ccc2c(c1)nccc2NC[C@H]1C[C@@H]1C ZINC000785778222 585880768 /nfs/dbraw/zinc/88/07/68/585880768.db2.gz KFAKZWRYTUPXHB-WDEREUQCSA-N 0 3 242.322 3.311 20 0 BGADHN Cc1ccc([C@@H]2C[C@H](C)N(CCF)C2)cc1 ZINC000786124683 585887798 /nfs/dbraw/zinc/88/77/98/585887798.db2.gz HESSRQIRMQOVGI-GXTWGEPZSA-N 0 3 221.319 3.142 20 0 BGADHN Cc1ccc([C@H]2C[C@H](C)N(CCF)C2)cc1 ZINC000786124690 585887861 /nfs/dbraw/zinc/88/78/61/585887861.db2.gz HESSRQIRMQOVGI-JSGCOSHPSA-N 0 3 221.319 3.142 20 0 BGADHN Cc1ccc([C@H]2C[C@@H](C)N(CCF)C2)cc1 ZINC000786124692 585887790 /nfs/dbraw/zinc/88/77/90/585887790.db2.gz HESSRQIRMQOVGI-OCCSQVGLSA-N 0 3 221.319 3.142 20 0 BGADHN Cc1ccc([C@@H]2C[C@@H](C)N(CCF)C2)cc1 ZINC000786124695 585887795 /nfs/dbraw/zinc/88/77/95/585887795.db2.gz HESSRQIRMQOVGI-TZMCWYRMSA-N 0 3 221.319 3.142 20 0 BGADHN COc1ccc(CN(C)CC2(C)CC2)cc1F ZINC000787061979 585900455 /nfs/dbraw/zinc/90/04/55/585900455.db2.gz LRWBTZFHUYPOJG-UHFFFAOYSA-N 0 3 237.318 3.066 20 0 BGADHN CCCC(C)(C)CC(=O)OCCN(CC)CC ZINC000787084345 585900777 /nfs/dbraw/zinc/90/07/77/585900777.db2.gz MZMXKHORRAIPRO-UHFFFAOYSA-N 0 3 243.391 3.088 20 0 BGADHN Cc1nc(F)ccc1CN(C1CC1)C1CCCC1 ZINC000787085866 585900696 /nfs/dbraw/zinc/90/06/96/585900696.db2.gz BMIDATJXCOYDHZ-UHFFFAOYSA-N 0 3 248.345 3.436 20 0 BGADHN Cc1nc(F)ccc1CN(C)CCC(C)C ZINC000787086723 585900987 /nfs/dbraw/zinc/90/09/87/585900987.db2.gz LAJIIIRXQMQSMV-UHFFFAOYSA-N 0 3 224.323 3.007 20 0 BGADHN Cc1nc(F)ccc1CN(C)[C@H](C)C(C)(C)C ZINC000787098303 585901299 /nfs/dbraw/zinc/90/12/99/585901299.db2.gz DLLHJSVSGLPEIE-LLVKDONJSA-N 0 3 238.350 3.396 20 0 BGADHN Cc1nc(F)ccc1CN(C)[C@@H](C)C(C)(C)C ZINC000787098307 585901388 /nfs/dbraw/zinc/90/13/88/585901388.db2.gz DLLHJSVSGLPEIE-NSHDSACASA-N 0 3 238.350 3.396 20 0 BGADHN Cc1nc(F)ccc1CN1CCC[C@@H](C)CC1 ZINC000787133191 585902068 /nfs/dbraw/zinc/90/20/68/585902068.db2.gz ZZVGZMHRMRQXBZ-LLVKDONJSA-N 0 3 236.334 3.151 20 0 BGADHN Cc1nc(F)ccc1CN1CCC[C@H](C)CC1 ZINC000787133192 585901856 /nfs/dbraw/zinc/90/18/56/585901856.db2.gz ZZVGZMHRMRQXBZ-NSHDSACASA-N 0 3 236.334 3.151 20 0 BGADHN Cc1nc(F)ccc1CN1CCC(C)(C)CC1 ZINC000787146591 585902189 /nfs/dbraw/zinc/90/21/89/585902189.db2.gz JPBPZQMOEGADPN-UHFFFAOYSA-N 0 3 236.334 3.151 20 0 BGADHN Cc1nc(F)ccc1CN1CCC2(CCCC2)C1 ZINC000787163928 585902202 /nfs/dbraw/zinc/90/22/02/585902202.db2.gz MHIPNAHMCNKGNS-UHFFFAOYSA-N 0 3 248.345 3.295 20 0 BGADHN CC1(C)CCN1Cc1ccc2cnccc2c1 ZINC000787171045 585902473 /nfs/dbraw/zinc/90/24/73/585902473.db2.gz GCBCBWPSUZSAJY-UHFFFAOYSA-N 0 3 226.323 3.219 20 0 BGADHN Cc1nc(F)ccc1CN1C[C@@H]2CCCC[C@H]2C1 ZINC000787171167 585902377 /nfs/dbraw/zinc/90/23/77/585902377.db2.gz IQXNRWOJTIQAKH-KBPBESRZSA-N 0 3 248.345 3.151 20 0 BGADHN Cc1nc(F)ccc1CN1C[C@@H]2CCCC[C@@H]2C1 ZINC000787171169 585902418 /nfs/dbraw/zinc/90/24/18/585902418.db2.gz IQXNRWOJTIQAKH-OKILXGFUSA-N 0 3 248.345 3.151 20 0 BGADHN Cc1nc(F)ccc1CN1C[C@H]2CCCC[C@@H]2C1 ZINC000787171171 585902621 /nfs/dbraw/zinc/90/26/21/585902621.db2.gz IQXNRWOJTIQAKH-ZIAGYGMSSA-N 0 3 248.345 3.151 20 0 BGADHN CC[C@H]1C[C@H](C)CN1Cc1ccc(F)nc1C ZINC000787173549 585902660 /nfs/dbraw/zinc/90/26/60/585902660.db2.gz NUOOMSWEFQECOU-GWCFXTLKSA-N 0 3 236.334 3.150 20 0 BGADHN CC[C@@H]1C[C@H](C)CN1Cc1ccc(F)nc1C ZINC000787173550 585902590 /nfs/dbraw/zinc/90/25/90/585902590.db2.gz NUOOMSWEFQECOU-GXFFZTMASA-N 0 3 236.334 3.150 20 0 BGADHN CC[C@H]1C[C@@H](C)CN1Cc1ccc(F)nc1C ZINC000787173551 585902479 /nfs/dbraw/zinc/90/24/79/585902479.db2.gz NUOOMSWEFQECOU-MFKMUULPSA-N 0 3 236.334 3.150 20 0 BGADHN CC[C@@H]1C[C@@H](C)CN1Cc1ccc(F)nc1C ZINC000787173552 585902689 /nfs/dbraw/zinc/90/26/89/585902689.db2.gz NUOOMSWEFQECOU-ZWNOBZJWSA-N 0 3 236.334 3.150 20 0 BGADHN Cc1nc(F)ccc1CN1CCCCC[C@H]1C ZINC000787177275 585902677 /nfs/dbraw/zinc/90/26/77/585902677.db2.gz MPBMDHLOCWCIBA-LLVKDONJSA-N 0 3 236.334 3.294 20 0 BGADHN Cc1nc(F)ccc1CN1CCCCC[C@@H]1C ZINC000787177276 585902450 /nfs/dbraw/zinc/90/24/50/585902450.db2.gz MPBMDHLOCWCIBA-NSHDSACASA-N 0 3 236.334 3.294 20 0 BGADHN Cc1nc(F)ccc1CN(C(C)C)C1CCC1 ZINC000787181887 585902405 /nfs/dbraw/zinc/90/24/05/585902405.db2.gz NJZQWVJYGOUKQZ-UHFFFAOYSA-N 0 3 236.334 3.292 20 0 BGADHN CC[C@@]1(C)CCN(Cc2ccc(F)nc2C)C1 ZINC000787192442 585902917 /nfs/dbraw/zinc/90/29/17/585902917.db2.gz QWWYSWGVPQEQOK-AWEZNQCLSA-N 0 3 236.334 3.151 20 0 BGADHN CC[C@]1(C)CCN(Cc2ccc(F)nc2C)C1 ZINC000787192444 585902778 /nfs/dbraw/zinc/90/27/78/585902778.db2.gz QWWYSWGVPQEQOK-CQSZACIVSA-N 0 3 236.334 3.151 20 0 BGADHN Cc1nc(F)ccc1CN1CC[C@@H](C(C)C)C1 ZINC000787211087 585903017 /nfs/dbraw/zinc/90/30/17/585903017.db2.gz XSYDPWGLYSHQEK-GFCCVEGCSA-N 0 3 236.334 3.007 20 0 BGADHN Cc1nc(F)ccc1CN1CC[C@H](C(C)C)C1 ZINC000787211089 585903208 /nfs/dbraw/zinc/90/32/08/585903208.db2.gz XSYDPWGLYSHQEK-LBPRGKRZSA-N 0 3 236.334 3.007 20 0 BGADHN Fc1ccc(CN2C3CCCC2CCC3)nc1 ZINC000787254438 585903818 /nfs/dbraw/zinc/90/38/18/585903818.db2.gz XVNPAYCXOIVPAA-UHFFFAOYSA-N 0 3 234.318 3.128 20 0 BGADHN CC(C)CC1CCN(CCOCC(F)F)CC1 ZINC000787264515 585903933 /nfs/dbraw/zinc/90/39/33/585903933.db2.gz UICCGXBVGFDGLB-UHFFFAOYSA-N 0 3 249.345 3.026 20 0 BGADHN Cc1nc(F)ccc1CN(C)C[C@@H]1CC=CCC1 ZINC000787269821 585903823 /nfs/dbraw/zinc/90/38/23/585903823.db2.gz FTZXEDLXFKOPNY-CYBMUJFWSA-N 0 3 248.345 3.317 20 0 BGADHN Cc1nc(F)ccc1CN(C)C[C@H]1CC=CCC1 ZINC000787269824 585903993 /nfs/dbraw/zinc/90/39/93/585903993.db2.gz FTZXEDLXFKOPNY-ZDUSSCGKSA-N 0 3 248.345 3.317 20 0 BGADHN CCN(CCC1CC1)Cc1ccc(F)nc1C ZINC000787270201 585904393 /nfs/dbraw/zinc/90/43/93/585904393.db2.gz DARDXLMMHAWBCH-UHFFFAOYSA-N 0 3 236.334 3.151 20 0 BGADHN Clc1ccc(/C=C/CN2CC[C@@H]3C[C@@H]32)cc1 ZINC000787271991 585904301 /nfs/dbraw/zinc/90/43/01/585904301.db2.gz PWBPMEGVNXGBOJ-KDGLMLOISA-N 0 3 233.742 3.447 20 0 BGADHN Clc1ccc(/C=C\CN2CC[C@@H]3C[C@@H]32)cc1 ZINC000787271992 585904101 /nfs/dbraw/zinc/90/41/01/585904101.db2.gz PWBPMEGVNXGBOJ-NDLDBVGSSA-N 0 3 233.742 3.447 20 0 BGADHN CC[C@H]1[C@@H](C)CCN1Cc1ccc(F)nc1C ZINC000787277444 585904778 /nfs/dbraw/zinc/90/47/78/585904778.db2.gz WWUNXCUOUDTOCD-GWCFXTLKSA-N 0 3 236.334 3.150 20 0 BGADHN CC[C@@H]1[C@@H](C)CCN1Cc1ccc(F)nc1C ZINC000787277445 585904663 /nfs/dbraw/zinc/90/46/63/585904663.db2.gz WWUNXCUOUDTOCD-GXFFZTMASA-N 0 3 236.334 3.150 20 0 BGADHN CC[C@H]1[C@H](C)CCN1Cc1ccc(F)nc1C ZINC000787277446 585904659 /nfs/dbraw/zinc/90/46/59/585904659.db2.gz WWUNXCUOUDTOCD-MFKMUULPSA-N 0 3 236.334 3.150 20 0 BGADHN CC[C@@H]1[C@H](C)CCN1Cc1ccc(F)nc1C ZINC000787277447 585904735 /nfs/dbraw/zinc/90/47/35/585904735.db2.gz WWUNXCUOUDTOCD-ZWNOBZJWSA-N 0 3 236.334 3.150 20 0 BGADHN Cc1nc(F)ccc1CN1CC2(CCC2)C[C@H]1C ZINC000787290045 585905143 /nfs/dbraw/zinc/90/51/43/585905143.db2.gz OGMAZJHUTOPGJJ-LLVKDONJSA-N 0 3 248.345 3.294 20 0 BGADHN Cc1nc(F)ccc1CN1CC2(CCC2)C[C@@H]1C ZINC000787290048 585905273 /nfs/dbraw/zinc/90/52/73/585905273.db2.gz OGMAZJHUTOPGJJ-NSHDSACASA-N 0 3 248.345 3.294 20 0 BGADHN FCCN1CCCC2(CCCCC2)CC1 ZINC000787335363 585907177 /nfs/dbraw/zinc/90/71/77/585907177.db2.gz KDJGTBGCFBIFNJ-UHFFFAOYSA-N 0 3 213.340 3.392 20 0 BGADHN CCC1(CC)CCCN(CCF)CC1 ZINC000787340300 585907477 /nfs/dbraw/zinc/90/74/77/585907477.db2.gz IICNKUKJRDBHOY-UHFFFAOYSA-N 0 3 201.329 3.248 20 0 BGADHN CCCCCCNCc1ccc(-c2cc[nH]n2)o1 ZINC000788509682 585926132 /nfs/dbraw/zinc/92/61/32/585926132.db2.gz WPALIPBPXHBBQY-UHFFFAOYSA-N 0 3 247.342 3.340 20 0 BGADHN C[C@@H](NCc1cc2ccccc2[nH]1)c1ccc[nH]1 ZINC000788524911 585926311 /nfs/dbraw/zinc/92/63/11/585926311.db2.gz WSNXVWYFEJJCRO-LLVKDONJSA-N 0 3 239.322 3.347 20 0 BGADHN C[C@H](NCc1cc2ccccc2[nH]1)c1ccc[nH]1 ZINC000788524913 585926419 /nfs/dbraw/zinc/92/64/19/585926419.db2.gz WSNXVWYFEJJCRO-NSHDSACASA-N 0 3 239.322 3.347 20 0 BGADHN C[C@@H](NCCC1CCC1)c1cn2ccccc2n1 ZINC000788668394 585928739 /nfs/dbraw/zinc/92/87/39/585928739.db2.gz JZEAQHISRBHMJJ-GFCCVEGCSA-N 0 3 243.354 3.175 20 0 BGADHN C[C@H](NCCC1CCC1)c1cn2ccccc2n1 ZINC000788668395 585928671 /nfs/dbraw/zinc/92/86/71/585928671.db2.gz JZEAQHISRBHMJJ-LBPRGKRZSA-N 0 3 243.354 3.175 20 0 BGADHN C/C=C(\CC)C(=O)Nc1ccccc1CN(C)C ZINC000788737302 585929842 /nfs/dbraw/zinc/92/98/42/585929842.db2.gz OFKZQMOBDWAUTE-LFYBBSHMSA-N 0 3 246.354 3.043 20 0 BGADHN C/C=C(/CC)C(=O)Nc1ccccc1CN(C)C ZINC000788737304 585929915 /nfs/dbraw/zinc/92/99/15/585929915.db2.gz OFKZQMOBDWAUTE-XGICHPGQSA-N 0 3 246.354 3.043 20 0 BGADHN C[C@H](N[C@H]1CC[C@@H](C)C1)c1cn2ccccc2n1 ZINC000788754293 585929739 /nfs/dbraw/zinc/92/97/39/585929739.db2.gz BFDLUCMKQAFMQP-AGIUHOORSA-N 0 3 243.354 3.174 20 0 BGADHN C[C@H](N[C@@H]1CC[C@@H](C)C1)c1cn2ccccc2n1 ZINC000788754295 585929882 /nfs/dbraw/zinc/92/98/82/585929882.db2.gz BFDLUCMKQAFMQP-FRRDWIJNSA-N 0 3 243.354 3.174 20 0 BGADHN C[C@@H](N[C@@H]1CC[C@@H](C)C1)c1cn2ccccc2n1 ZINC000788754297 585929708 /nfs/dbraw/zinc/92/97/08/585929708.db2.gz BFDLUCMKQAFMQP-JHJVBQTASA-N 0 3 243.354 3.174 20 0 BGADHN C[C@@H](N[C@H]1CC[C@@H](C)C1)c1cn2ccccc2n1 ZINC000788754299 585929771 /nfs/dbraw/zinc/92/97/71/585929771.db2.gz BFDLUCMKQAFMQP-UPJWGTAASA-N 0 3 243.354 3.174 20 0 BGADHN CC(C)c1ccccc1CN[C@H](C)c1cn[nH]c1 ZINC000788754954 585929778 /nfs/dbraw/zinc/92/97/78/585929778.db2.gz CUWCOIUNHXTTLA-GFCCVEGCSA-N 0 3 243.354 3.384 20 0 BGADHN CC(C)c1ccccc1CN[C@@H](C)c1cn[nH]c1 ZINC000788754956 585929888 /nfs/dbraw/zinc/92/98/88/585929888.db2.gz CUWCOIUNHXTTLA-LBPRGKRZSA-N 0 3 243.354 3.384 20 0 BGADHN Cc1cscc1CN[C@@H](C)c1cc[nH]c(=O)c1 ZINC000788796044 585930458 /nfs/dbraw/zinc/93/04/58/585930458.db2.gz QMHPUNMDISIYEE-JTQLQIEISA-N 0 3 248.351 3.008 20 0 BGADHN Cc1cscc1CN[C@H](C)c1cc[nH]c(=O)c1 ZINC000788796047 585930373 /nfs/dbraw/zinc/93/03/73/585930373.db2.gz QMHPUNMDISIYEE-SNVBAGLBSA-N 0 3 248.351 3.008 20 0 BGADHN CCOC[C@H](NCc1cc(C)oc1C)C(C)C ZINC000788971139 585932590 /nfs/dbraw/zinc/93/25/90/585932590.db2.gz JOGABZKZHDZNCZ-AWEZNQCLSA-N 0 3 239.359 3.047 20 0 BGADHN CCOC[C@@H](NCc1cc(C)oc1C)C(C)C ZINC000788971140 585932607 /nfs/dbraw/zinc/93/26/07/585932607.db2.gz JOGABZKZHDZNCZ-CQSZACIVSA-N 0 3 239.359 3.047 20 0 BGADHN COc1c2ccccc2oc1CN[C@@H]1CC[C@@H]1C ZINC000788980293 585932893 /nfs/dbraw/zinc/93/28/93/585932893.db2.gz MGNOWHFKOOLUEO-CMPLNLGQSA-N 0 3 245.322 3.330 20 0 BGADHN COc1c2ccccc2oc1CN[C@H]1CC[C@@H]1C ZINC000788980301 585932924 /nfs/dbraw/zinc/93/29/24/585932924.db2.gz MGNOWHFKOOLUEO-JQWIXIFHSA-N 0 3 245.322 3.330 20 0 BGADHN COc1c2ccccc2oc1CN[C@H]1CC[C@H]1C ZINC000788980304 585112829 /nfs/dbraw/zinc/11/28/29/585112829.db2.gz MGNOWHFKOOLUEO-PWSUYJOCSA-N 0 3 245.322 3.330 20 0 BGADHN COc1c2ccccc2oc1CN[C@@H]1CC[C@H]1C ZINC000788980309 585112951 /nfs/dbraw/zinc/11/29/51/585112951.db2.gz MGNOWHFKOOLUEO-ZYHUDNBSSA-N 0 3 245.322 3.330 20 0 BGADHN Fc1cccc(CN[C@@H]2CCC23CCCC3)n1 ZINC000788981455 585932960 /nfs/dbraw/zinc/93/29/60/585932960.db2.gz CTCQLRSBGVBKIC-GFCCVEGCSA-N 0 3 234.318 3.033 20 0 BGADHN Fc1cccc(CN[C@H]2CCC23CCCC3)n1 ZINC000788981458 585932911 /nfs/dbraw/zinc/93/29/11/585932911.db2.gz CTCQLRSBGVBKIC-LBPRGKRZSA-N 0 3 234.318 3.033 20 0 BGADHN C[C@@H]1CC[C@@H](CN2Cc3ccccc3[C@@H](C)C2)O1 ZINC000789304531 585939091 /nfs/dbraw/zinc/93/90/91/585939091.db2.gz BAJDSZWTHXLQRU-GUTXKFCHSA-N 0 3 245.366 3.173 20 0 BGADHN C[C@@H]1CC[C@H](CN2Cc3ccccc3[C@@H](C)C2)O1 ZINC000789304533 585939099 /nfs/dbraw/zinc/93/90/99/585939099.db2.gz BAJDSZWTHXLQRU-GZBFAFLISA-N 0 3 245.366 3.173 20 0 BGADHN C[C@@H]1CC[C@@H](CN2Cc3ccccc3[C@H](C)C2)O1 ZINC000789304534 585939301 /nfs/dbraw/zinc/93/93/01/585939301.db2.gz BAJDSZWTHXLQRU-NFAWXSAZSA-N 0 3 245.366 3.173 20 0 BGADHN C[C@@H]1CC[C@H](CN2Cc3ccccc3[C@H](C)C2)O1 ZINC000789304536 585939096 /nfs/dbraw/zinc/93/90/96/585939096.db2.gz BAJDSZWTHXLQRU-UMVBOHGHSA-N 0 3 245.366 3.173 20 0 BGADHN C[C@@H]1C[C@H](C)[C@@H](C)N(Cc2ccc(F)nc2)C1 ZINC000789587243 585944670 /nfs/dbraw/zinc/94/46/70/585944670.db2.gz UWPLGXHYFFWQHU-GRYCIOLGSA-N 0 3 236.334 3.087 20 0 BGADHN C[C@@H]1C[C@@H](C)[C@@H](C)N(Cc2ccc(F)nc2)C1 ZINC000789587245 585944723 /nfs/dbraw/zinc/94/47/23/585944723.db2.gz UWPLGXHYFFWQHU-IJLUTSLNSA-N 0 3 236.334 3.087 20 0 BGADHN C[C@@H]1C[C@@H](C)[C@H](C)N(Cc2ccc(F)nc2)C1 ZINC000789587246 585944774 /nfs/dbraw/zinc/94/47/74/585944774.db2.gz UWPLGXHYFFWQHU-UTUOFQBUSA-N 0 3 236.334 3.087 20 0 BGADHN C[C@@H]1C[C@H](C)[C@H](C)N(Cc2ccc(F)nc2)C1 ZINC000789587247 585944697 /nfs/dbraw/zinc/94/46/97/585944697.db2.gz UWPLGXHYFFWQHU-WOPDTQHZSA-N 0 3 236.334 3.087 20 0 BGADHN CC1(C)CCN1Cc1cc2ccccc2[nH]1 ZINC000789731221 585949185 /nfs/dbraw/zinc/94/91/85/585949185.db2.gz FLNNDZCMWWACQK-UHFFFAOYSA-N 0 3 214.312 3.152 20 0 BGADHN CC(C)C(CNCc1cccc(F)n1)C(C)C ZINC000790564072 585966309 /nfs/dbraw/zinc/96/63/09/585966309.db2.gz AWFPZCVMYFVKDH-UHFFFAOYSA-N 0 3 238.350 3.239 20 0 BGADHN CC(C)C(CNCc1cccnc1F)C(C)C ZINC000790590070 585966690 /nfs/dbraw/zinc/96/66/90/585966690.db2.gz IFNMVOBMJZOALD-UHFFFAOYSA-N 0 3 238.350 3.239 20 0 BGADHN CCOCOc1ccc(CNCC=C(C)C)cc1 ZINC000790996368 585971677 /nfs/dbraw/zinc/97/16/77/585971677.db2.gz OIIAULDVFCNZCT-UHFFFAOYSA-N 0 3 249.354 3.115 20 0 BGADHN COc1c(C)cc(CNCC=C(C)C)cc1C ZINC000790997968 585971790 /nfs/dbraw/zinc/97/17/90/585971790.db2.gz ZBEKLYUSQSAAAI-UHFFFAOYSA-N 0 3 233.355 3.368 20 0 BGADHN FC(F)c1cccc(CN2CC[C@H]3C[C@H]32)c1 ZINC000791484659 712422478 /nfs/dbraw/zinc/42/24/78/712422478.db2.gz VOGYBRZCOSMRQU-CMPLNLGQSA-N 0 3 223.266 3.218 20 0 BGADHN FC(F)c1cccc(CN2CC[C@@H]3C[C@@H]32)c1 ZINC000791484671 712422705 /nfs/dbraw/zinc/42/27/05/712422705.db2.gz VOGYBRZCOSMRQU-PWSUYJOCSA-N 0 3 223.266 3.218 20 0 BGADHN CCCCCCN1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000791555363 585983728 /nfs/dbraw/zinc/98/37/28/585983728.db2.gz IGGPFSZFECQQKM-GXTWGEPZSA-N 0 3 225.376 3.066 20 0 BGADHN CCCCCCN1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000791555365 585983725 /nfs/dbraw/zinc/98/37/25/585983725.db2.gz IGGPFSZFECQQKM-JSGCOSHPSA-N 0 3 225.376 3.066 20 0 BGADHN CCCCCCN1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000791555366 585983858 /nfs/dbraw/zinc/98/38/58/585983858.db2.gz IGGPFSZFECQQKM-OCCSQVGLSA-N 0 3 225.376 3.066 20 0 BGADHN CCCCCCN1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000791555369 585983699 /nfs/dbraw/zinc/98/36/99/585983699.db2.gz IGGPFSZFECQQKM-TZMCWYRMSA-N 0 3 225.376 3.066 20 0 BGADHN C[C@H]1C[C@H](C)N1Cc1cncc2ccccc21 ZINC000791576585 583426648 /nfs/dbraw/zinc/42/66/48/583426648.db2.gz HRAVIEHPYXDNII-RYUDHWBXSA-N 0 3 226.323 3.218 20 0 BGADHN C[C@@H]1C[C@H](C)N1Cc1cncc2ccccc21 ZINC000791576592 583426505 /nfs/dbraw/zinc/42/65/05/583426505.db2.gz HRAVIEHPYXDNII-TXEJJXNPSA-N 0 3 226.323 3.218 20 0 BGADHN C[C@@H]1C[C@@H](C)N1Cc1cncc2ccccc21 ZINC000791576594 583426823 /nfs/dbraw/zinc/42/68/23/583426823.db2.gz HRAVIEHPYXDNII-VXGBXAGGSA-N 0 3 226.323 3.218 20 0 BGADHN C[C@@H]1C[C@@H](C)N1Cc1ccc(CF)cc1 ZINC000791578182 585985001 /nfs/dbraw/zinc/98/50/01/585985001.db2.gz QLFXZAPUYNSGDS-GHMZBOCLSA-N 0 3 207.292 3.139 20 0 BGADHN C[C@@H]1C[C@H](C)N1Cc1ccc(CF)cc1 ZINC000791578183 585984648 /nfs/dbraw/zinc/98/46/48/585984648.db2.gz QLFXZAPUYNSGDS-PHIMTYICSA-N 0 3 207.292 3.139 20 0 BGADHN C[C@H]1C[C@H](C)N1Cc1ccc(CF)cc1 ZINC000791578185 585984432 /nfs/dbraw/zinc/98/44/32/585984432.db2.gz QLFXZAPUYNSGDS-QWRGUYRKSA-N 0 3 207.292 3.139 20 0 BGADHN Cc1ccc([C@@H]2CCN(CCF)C2)c(C)c1 ZINC000791607594 585985245 /nfs/dbraw/zinc/98/52/45/585985245.db2.gz RLWNKAIZFRBBJF-CYBMUJFWSA-N 0 3 221.319 3.062 20 0 BGADHN Cc1ccc([C@H]2CCN(CCF)C2)c(C)c1 ZINC000791607597 585985204 /nfs/dbraw/zinc/98/52/04/585985204.db2.gz RLWNKAIZFRBBJF-ZDUSSCGKSA-N 0 3 221.319 3.062 20 0 BGADHN Fc1cccc(CNCCC2CCCCC2)n1 ZINC000792174603 583506778 /nfs/dbraw/zinc/50/67/78/583506778.db2.gz YLVBVSXKVHXVST-UHFFFAOYSA-N 0 3 236.334 3.281 20 0 BGADHN Cc1cc(CN2CCSCC[C@@H]2C)c(C)o1 ZINC000792197459 585997503 /nfs/dbraw/zinc/99/75/03/585997503.db2.gz WXPBNZBJUDSZMM-JTQLQIEISA-N 0 3 239.384 3.224 20 0 BGADHN Cc1cc(CN2CCSCC[C@H]2C)c(C)o1 ZINC000792197460 585997351 /nfs/dbraw/zinc/99/73/51/585997351.db2.gz WXPBNZBJUDSZMM-SNVBAGLBSA-N 0 3 239.384 3.224 20 0 BGADHN Cc1ccnc(CN2CCC3(CCCC3)C2)c1 ZINC000792231849 585998256 /nfs/dbraw/zinc/99/82/56/585998256.db2.gz JEHNZKMZOICVEM-UHFFFAOYSA-N 0 3 230.355 3.156 20 0 BGADHN CCCC1CCC(N(C)CCF)CC1 ZINC000792469377 586000900 /nfs/dbraw/zinc/00/09/00/586000900.db2.gz CUYQCAIOGKSLFY-UHFFFAOYSA-N 0 3 201.329 3.247 20 0 BGADHN CC(C)n1nccc1CN1CCCCCCC1 ZINC000792766707 586004965 /nfs/dbraw/zinc/00/49/65/586004965.db2.gz OBWKAATZZOGVNW-UHFFFAOYSA-N 0 3 235.375 3.230 20 0 BGADHN C[C@@H]1CN(CC2(F)CC2)Cc2ccccc21 ZINC000792775670 586004991 /nfs/dbraw/zinc/00/49/91/586004991.db2.gz CQHHPSABXOFNET-LLVKDONJSA-N 0 3 219.303 3.108 20 0 BGADHN C[C@H]1CN(CC2(F)CC2)Cc2ccccc21 ZINC000792775690 586004816 /nfs/dbraw/zinc/00/48/16/586004816.db2.gz CQHHPSABXOFNET-NSHDSACASA-N 0 3 219.303 3.108 20 0 BGADHN CC(C)CC1CCN(CC2(F)CC2)CC1 ZINC000792841114 586005776 /nfs/dbraw/zinc/00/57/76/586005776.db2.gz ZGTOBEVSSBOYJV-UHFFFAOYSA-N 0 3 213.340 3.247 20 0 BGADHN Cc1cccc2c1CCN(CCCCCF)C2 ZINC000792867287 586006095 /nfs/dbraw/zinc/00/60/95/586006095.db2.gz OCTZLTLQGVBYOQ-UHFFFAOYSA-N 0 3 235.346 3.493 20 0 BGADHN FCCCCCN1CC[C@@H](C(F)(F)F)C1 ZINC000792869782 586006075 /nfs/dbraw/zinc/00/60/75/586006075.db2.gz FAGLVHIMQYIEKZ-SECBINFHSA-N 0 3 227.245 3.010 20 0 BGADHN FCCCCCN1CC[C@H](C(F)(F)F)C1 ZINC000792869785 586006233 /nfs/dbraw/zinc/00/62/33/586006233.db2.gz FAGLVHIMQYIEKZ-VIFPVBQESA-N 0 3 227.245 3.010 20 0 BGADHN CC(C)=CCN1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792905883 583549066 /nfs/dbraw/zinc/54/90/66/583549066.db2.gz OBIUIJIANVISJV-MNOVXSKESA-N 0 3 248.197 3.468 20 0 BGADHN CC(C)=CCN1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792905902 583549284 /nfs/dbraw/zinc/54/92/84/583549284.db2.gz OBIUIJIANVISJV-WDEREUQCSA-N 0 3 248.197 3.468 20 0 BGADHN CCc1cccc(F)c1CNC[C@H]1CCC=CO1 ZINC000793154293 586011986 /nfs/dbraw/zinc/01/19/86/586011986.db2.gz XHXZYXJMOCBXQL-CYBMUJFWSA-N 0 3 249.329 3.170 20 0 BGADHN CCc1cccc(F)c1CNC[C@@H]1CCC=CO1 ZINC000793154294 586011945 /nfs/dbraw/zinc/01/19/45/586011945.db2.gz XHXZYXJMOCBXQL-ZDUSSCGKSA-N 0 3 249.329 3.170 20 0 BGADHN CC(C)C1CN(Cc2cncc3ccccc32)C1 ZINC000793190139 586013817 /nfs/dbraw/zinc/01/38/17/586013817.db2.gz STSUIPIMJFBFIR-UHFFFAOYSA-N 0 3 240.350 3.323 20 0 BGADHN CC(C)C1CN(Cc2cnc3ccccc3c2)C1 ZINC000793193665 586013707 /nfs/dbraw/zinc/01/37/07/586013707.db2.gz XTHNWBKVBFMIPC-UHFFFAOYSA-N 0 3 240.350 3.323 20 0 BGADHN COc1cccc2cc(CN3[C@H](C)C[C@H]3C)oc21 ZINC000793228592 586014687 /nfs/dbraw/zinc/01/46/87/586014687.db2.gz NWXASGBFPXTCQR-GHMZBOCLSA-N 0 3 245.322 3.424 20 0 BGADHN COc1cccc2cc(CN3[C@H](C)C[C@@H]3C)oc21 ZINC000793228593 586014722 /nfs/dbraw/zinc/01/47/22/586014722.db2.gz NWXASGBFPXTCQR-PHIMTYICSA-N 0 3 245.322 3.424 20 0 BGADHN COc1cccc2cc(CN3[C@@H](C)C[C@@H]3C)oc21 ZINC000793228594 586014873 /nfs/dbraw/zinc/01/48/73/586014873.db2.gz NWXASGBFPXTCQR-QWRGUYRKSA-N 0 3 245.322 3.424 20 0 BGADHN CCOCOc1ccc(CN2[C@H](C)C[C@@H]2C)cc1 ZINC000793229071 586014877 /nfs/dbraw/zinc/01/48/77/586014877.db2.gz UQIBYKFZAIRREM-BETUJISGSA-N 0 3 249.354 3.042 20 0 BGADHN CCOCOc1ccc(CN2[C@H](C)C[C@H]2C)cc1 ZINC000793229082 586014767 /nfs/dbraw/zinc/01/47/67/586014767.db2.gz UQIBYKFZAIRREM-CHWSQXEVSA-N 0 3 249.354 3.042 20 0 BGADHN CCOCOc1ccc(CN2[C@@H](C)C[C@@H]2C)cc1 ZINC000793229085 586014791 /nfs/dbraw/zinc/01/47/91/586014791.db2.gz UQIBYKFZAIRREM-STQMWFEESA-N 0 3 249.354 3.042 20 0 BGADHN Fc1ncccc1CNC1CCCCCCC1 ZINC000793279245 586015847 /nfs/dbraw/zinc/01/58/47/586015847.db2.gz CCEUKDFBUAZGJD-UHFFFAOYSA-N 0 3 236.334 3.423 20 0 BGADHN C[C@@H]1CC[C@H](NCc2cccnc2F)[C@@H](C)C1 ZINC000793279614 586015792 /nfs/dbraw/zinc/01/57/92/586015792.db2.gz FHTOKEPKWRBJDF-MDZLAQPJSA-N 0 3 236.334 3.135 20 0 BGADHN C[C@@H]1CC[C@@H](NCc2cccnc2F)[C@H](C)C1 ZINC000793279616 586015701 /nfs/dbraw/zinc/01/57/01/586015701.db2.gz FHTOKEPKWRBJDF-NQBHXWOUSA-N 0 3 236.334 3.135 20 0 BGADHN C[C@@H]1CC[C@@H](NCc2cccnc2F)[C@@H](C)C1 ZINC000793279619 586015687 /nfs/dbraw/zinc/01/56/87/586015687.db2.gz FHTOKEPKWRBJDF-NTZNESFSSA-N 0 3 236.334 3.135 20 0 BGADHN C[C@@H]1CC[C@H](NCc2cccnc2F)[C@H](C)C1 ZINC000793279620 586015641 /nfs/dbraw/zinc/01/56/41/586015641.db2.gz FHTOKEPKWRBJDF-WZRBSPASSA-N 0 3 236.334 3.135 20 0 BGADHN C[C@H]1CC(NCc2cccnc2F)C[C@H](C)C1 ZINC000793279831 586015658 /nfs/dbraw/zinc/01/56/58/586015658.db2.gz HHRCXPITFJJENK-GHMZBOCLSA-N 0 3 236.334 3.135 20 0 BGADHN C[C@H]1C[C@H](NCc2cccnc2F)C[C@@H](C)C1 ZINC000793279832 586015692 /nfs/dbraw/zinc/01/56/92/586015692.db2.gz HHRCXPITFJJENK-PJXYFTJBSA-N 0 3 236.334 3.135 20 0 BGADHN C[C@@H]1CC(NCc2cccnc2F)C[C@@H](C)C1 ZINC000793279834 586015814 /nfs/dbraw/zinc/01/58/14/586015814.db2.gz HHRCXPITFJJENK-QWRGUYRKSA-N 0 3 236.334 3.135 20 0 BGADHN CC(C)=CCC[C@@H](C)NCc1cccnc1F ZINC000793281371 586016146 /nfs/dbraw/zinc/01/61/46/586016146.db2.gz OPJZNOPHHDCJAH-GFCCVEGCSA-N 0 3 236.334 3.445 20 0 BGADHN CC(C)=CCC[C@H](C)NCc1cccnc1F ZINC000793281373 586015891 /nfs/dbraw/zinc/01/58/91/586015891.db2.gz OPJZNOPHHDCJAH-LBPRGKRZSA-N 0 3 236.334 3.445 20 0 BGADHN C[C@@H]1CC[C@H](NCc2cccnc2F)C[C@@H]1C ZINC000793281508 583580358 /nfs/dbraw/zinc/58/03/58/583580358.db2.gz QYNRNNDDWKXUCV-MDZLAQPJSA-N 0 3 236.334 3.135 20 0 BGADHN C[C@@H]1CC[C@@H](NCc2cccnc2F)C[C@H]1C ZINC000793281511 583580328 /nfs/dbraw/zinc/58/03/28/583580328.db2.gz QYNRNNDDWKXUCV-NQBHXWOUSA-N 0 3 236.334 3.135 20 0 BGADHN C[C@@H]1CC[C@@H](NCc2cccnc2F)C[C@@H]1C ZINC000793281514 583580455 /nfs/dbraw/zinc/58/04/55/583580455.db2.gz QYNRNNDDWKXUCV-NTZNESFSSA-N 0 3 236.334 3.135 20 0 BGADHN C[C@@H]1CC[C@H](NCc2cccnc2F)C[C@H]1C ZINC000793281517 583580077 /nfs/dbraw/zinc/58/00/77/583580077.db2.gz QYNRNNDDWKXUCV-WZRBSPASSA-N 0 3 236.334 3.135 20 0 BGADHN Fc1ncccc1CNCCC1CCCCC1 ZINC000793281917 586015985 /nfs/dbraw/zinc/01/59/85/586015985.db2.gz SECLFOOQVGKPLB-UHFFFAOYSA-N 0 3 236.334 3.281 20 0 BGADHN Fc1ncccc1CNC1CCC2(CC2)CC1 ZINC000793282392 586016115 /nfs/dbraw/zinc/01/61/15/586016115.db2.gz VMBKPSOOTBVHPA-UHFFFAOYSA-N 0 3 234.318 3.033 20 0 BGADHN Fc1ncccc1CN[C@H]1CCCC[C@H]1C1CC1 ZINC000793282887 586016182 /nfs/dbraw/zinc/01/61/82/586016182.db2.gz YDQLBYDNLLSZDI-KBPBESRZSA-N 0 3 248.345 3.279 20 0 BGADHN Fc1ncccc1CN[C@H]1CCCC[C@@H]1C1CC1 ZINC000793282889 586016166 /nfs/dbraw/zinc/01/61/66/586016166.db2.gz YDQLBYDNLLSZDI-KGLIPLIRSA-N 0 3 248.345 3.279 20 0 BGADHN Fc1ncccc1CN[C@@H]1CCCC[C@H]1C1CC1 ZINC000793282891 586016020 /nfs/dbraw/zinc/01/60/20/586016020.db2.gz YDQLBYDNLLSZDI-UONOGXRCSA-N 0 3 248.345 3.279 20 0 BGADHN Fc1ncccc1CN[C@@H]1CCCC[C@@H]1C1CC1 ZINC000793282894 586015961 /nfs/dbraw/zinc/01/59/61/586015961.db2.gz YDQLBYDNLLSZDI-ZIAGYGMSSA-N 0 3 248.345 3.279 20 0 BGADHN CC1=CCC[C@H](C)[C@@H]1CNCc1cccnc1F ZINC000793283021 586016070 /nfs/dbraw/zinc/01/60/70/586016070.db2.gz YSHQMNRINOOPEM-GXTWGEPZSA-N 0 3 248.345 3.303 20 0 BGADHN CC1=CCC[C@H](C)[C@H]1CNCc1cccnc1F ZINC000793283022 586016180 /nfs/dbraw/zinc/01/61/80/586016180.db2.gz YSHQMNRINOOPEM-JSGCOSHPSA-N 0 3 248.345 3.303 20 0 BGADHN CC1=CCC[C@@H](C)[C@H]1CNCc1cccnc1F ZINC000793283023 586016039 /nfs/dbraw/zinc/01/60/39/586016039.db2.gz YSHQMNRINOOPEM-OCCSQVGLSA-N 0 3 248.345 3.303 20 0 BGADHN CC1=CCC[C@@H](C)[C@@H]1CNCc1cccnc1F ZINC000793283024 586015967 /nfs/dbraw/zinc/01/59/67/586015967.db2.gz YSHQMNRINOOPEM-TZMCWYRMSA-N 0 3 248.345 3.303 20 0 BGADHN CCC1CCC(NCc2cccnc2F)CC1 ZINC000793283979 586016142 /nfs/dbraw/zinc/01/61/42/586016142.db2.gz DAFWACFRAQMYQC-UHFFFAOYSA-N 0 3 236.334 3.279 20 0 BGADHN C[C@H](CNCc1cccnc1F)c1ccccc1 ZINC000793284438 586015965 /nfs/dbraw/zinc/01/59/65/586015965.db2.gz FQRQNGMMLBJZKZ-GFCCVEGCSA-N 0 3 244.313 3.114 20 0 BGADHN C[C@@H](CNCc1cccnc1F)c1ccccc1 ZINC000793284440 583580091 /nfs/dbraw/zinc/58/00/91/583580091.db2.gz FQRQNGMMLBJZKZ-LBPRGKRZSA-N 0 3 244.313 3.114 20 0 BGADHN C[C@@H](NCc1cccnc1F)C1CCCCC1 ZINC000793284752 586016056 /nfs/dbraw/zinc/01/60/56/586016056.db2.gz QKVICEUHMWRKEV-LLVKDONJSA-N 0 3 236.334 3.279 20 0 BGADHN C[C@H](NCc1cccnc1F)C1CCCCC1 ZINC000793284755 586015913 /nfs/dbraw/zinc/01/59/13/586015913.db2.gz QKVICEUHMWRKEV-NSHDSACASA-N 0 3 236.334 3.279 20 0 BGADHN Fc1ncccc1CNCC1CCCCCC1 ZINC000793284783 586016107 /nfs/dbraw/zinc/01/61/07/586016107.db2.gz RFBNTRSGBGPESR-UHFFFAOYSA-N 0 3 236.334 3.281 20 0 BGADHN CC[C@H]1CCC[C@H](NCc2cccnc2F)C1 ZINC000793284960 586015902 /nfs/dbraw/zinc/01/59/02/586015902.db2.gz LDCRNGPNEFXFHY-AAEUAGOBSA-N 0 3 236.334 3.279 20 0 BGADHN CC[C@@H]1CCC[C@@H](NCc2cccnc2F)C1 ZINC000793284963 586015939 /nfs/dbraw/zinc/01/59/39/586015939.db2.gz LDCRNGPNEFXFHY-DGCLKSJQSA-N 0 3 236.334 3.279 20 0 BGADHN CC[C@H]1CCC[C@@H](NCc2cccnc2F)C1 ZINC000793284966 586016011 /nfs/dbraw/zinc/01/60/11/586016011.db2.gz LDCRNGPNEFXFHY-WCQYABFASA-N 0 3 236.334 3.279 20 0 BGADHN CC[C@@H]1CCC[C@H](NCc2cccnc2F)C1 ZINC000793284969 586016130 /nfs/dbraw/zinc/01/61/30/586016130.db2.gz LDCRNGPNEFXFHY-YPMHNXCESA-N 0 3 236.334 3.279 20 0 BGADHN CC1(C)CCC(NCc2cccnc2F)CC1 ZINC000793285365 586016087 /nfs/dbraw/zinc/01/60/87/586016087.db2.gz VNZINLWQLGGXOU-UHFFFAOYSA-N 0 3 236.334 3.279 20 0 BGADHN C[C@H]1CC(C)(C)C[C@H]1NCc1cccnc1F ZINC000793285630 586016054 /nfs/dbraw/zinc/01/60/54/586016054.db2.gz QLPYFNHXZSOLHR-CMPLNLGQSA-N 0 3 236.334 3.135 20 0 BGADHN C[C@H]1CC(C)(C)C[C@@H]1NCc1cccnc1F ZINC000793285632 586015920 /nfs/dbraw/zinc/01/59/20/586015920.db2.gz QLPYFNHXZSOLHR-JQWIXIFHSA-N 0 3 236.334 3.135 20 0 BGADHN C[C@@H]1CC(C)(C)C[C@@H]1NCc1cccnc1F ZINC000793285636 586016029 /nfs/dbraw/zinc/01/60/29/586016029.db2.gz QLPYFNHXZSOLHR-PWSUYJOCSA-N 0 3 236.334 3.135 20 0 BGADHN C[C@@H]1CC(C)(C)C[C@H]1NCc1cccnc1F ZINC000793285638 583580941 /nfs/dbraw/zinc/58/09/41/583580941.db2.gz QLPYFNHXZSOLHR-ZYHUDNBSSA-N 0 3 236.334 3.135 20 0 BGADHN Fc1ncccc1CN[C@@H]1CCC[C@H](C2CC2)C1 ZINC000793285823 586016153 /nfs/dbraw/zinc/01/61/53/586016153.db2.gz XNYPZESPFULBQR-GXTWGEPZSA-N 0 3 248.345 3.279 20 0 BGADHN Fc1ncccc1CN[C@H]1CCC[C@H](C2CC2)C1 ZINC000793285824 586015932 /nfs/dbraw/zinc/01/59/32/586015932.db2.gz XNYPZESPFULBQR-JSGCOSHPSA-N 0 3 248.345 3.279 20 0 BGADHN Fc1ncccc1CN[C@H]1CCC[C@@H](C2CC2)C1 ZINC000793285825 586016017 /nfs/dbraw/zinc/01/60/17/586016017.db2.gz XNYPZESPFULBQR-OCCSQVGLSA-N 0 3 248.345 3.279 20 0 BGADHN Fc1ncccc1CN[C@@H]1CCC[C@@H](C2CC2)C1 ZINC000793285826 586015905 /nfs/dbraw/zinc/01/59/05/586015905.db2.gz XNYPZESPFULBQR-TZMCWYRMSA-N 0 3 248.345 3.279 20 0 BGADHN C[C@@H]1CCC[C@H](NCc2cccnc2F)[C@H]1C ZINC000793286061 586016049 /nfs/dbraw/zinc/01/60/49/586016049.db2.gz SSYOKIYCLLODJO-MDZLAQPJSA-N 0 3 236.334 3.135 20 0 BGADHN C[C@@H]1CCC[C@@H](NCc2cccnc2F)[C@@H]1C ZINC000793286064 586016096 /nfs/dbraw/zinc/01/60/96/586016096.db2.gz SSYOKIYCLLODJO-NQBHXWOUSA-N 0 3 236.334 3.135 20 0 BGADHN C[C@@H]1CCC[C@@H](NCc2cccnc2F)[C@H]1C ZINC000793286067 586015923 /nfs/dbraw/zinc/01/59/23/586015923.db2.gz SSYOKIYCLLODJO-NTZNESFSSA-N 0 3 236.334 3.135 20 0 BGADHN C[C@@H]1CCC[C@H](NCc2cccnc2F)[C@@H]1C ZINC000793286070 586016128 /nfs/dbraw/zinc/01/61/28/586016128.db2.gz SSYOKIYCLLODJO-WZRBSPASSA-N 0 3 236.334 3.135 20 0 BGADHN CC1(C)CCC[C@@H](NCc2cccnc2F)C1 ZINC000793286531 583580678 /nfs/dbraw/zinc/58/06/78/583580678.db2.gz XZVKKQOGSNGBTB-GFCCVEGCSA-N 0 3 236.334 3.279 20 0 BGADHN CC1(C)CCC[C@H](NCc2cccnc2F)C1 ZINC000793286532 583580635 /nfs/dbraw/zinc/58/06/35/583580635.db2.gz XZVKKQOGSNGBTB-LBPRGKRZSA-N 0 3 236.334 3.279 20 0 BGADHN C[C@H](CC1CCCC1)NCc1cccnc1F ZINC000793288136 586016410 /nfs/dbraw/zinc/01/64/10/586016410.db2.gz DXZYLPMGEQREHV-LLVKDONJSA-N 0 3 236.334 3.279 20 0 BGADHN C[C@@H](CC1CCCC1)NCc1cccnc1F ZINC000793288137 583580815 /nfs/dbraw/zinc/58/08/15/583580815.db2.gz DXZYLPMGEQREHV-NSHDSACASA-N 0 3 236.334 3.279 20 0 BGADHN CC(C)[C@H]1CCC[C@H]1NCc1cccnc1F ZINC000793288141 583581036 /nfs/dbraw/zinc/58/10/36/583581036.db2.gz DZQHMYBZLUCAKQ-CHWSQXEVSA-N 0 3 236.334 3.135 20 0 BGADHN CC(C)[C@H]1CCC[C@@H]1NCc1cccnc1F ZINC000793288143 583581004 /nfs/dbraw/zinc/58/10/04/583581004.db2.gz DZQHMYBZLUCAKQ-OLZOCXBDSA-N 0 3 236.334 3.135 20 0 BGADHN CC(C)[C@@H]1CCC[C@H]1NCc1cccnc1F ZINC000793288447 583580924 /nfs/dbraw/zinc/58/09/24/583580924.db2.gz DZQHMYBZLUCAKQ-QWHCGFSZSA-N 0 3 236.334 3.135 20 0 BGADHN CC(C)[C@@H]1CCC[C@@H]1NCc1cccnc1F ZINC000793288448 583580688 /nfs/dbraw/zinc/58/06/88/583580688.db2.gz DZQHMYBZLUCAKQ-STQMWFEESA-N 0 3 236.334 3.135 20 0 BGADHN C[C@@H]1CCCC[C@H]1CNCc1cccnc1F ZINC000793289047 586016229 /nfs/dbraw/zinc/01/62/29/586016229.db2.gz JXGKJPBQQPNOMQ-NEPJUHHUSA-N 0 3 236.334 3.137 20 0 BGADHN C[C@H]1CCCC[C@@H]1CNCc1cccnc1F ZINC000793289049 583581187 /nfs/dbraw/zinc/58/11/87/583581187.db2.gz JXGKJPBQQPNOMQ-NWDGAFQWSA-N 0 3 236.334 3.137 20 0 BGADHN C[C@H]1CCCC[C@H]1CNCc1cccnc1F ZINC000793289051 583581322 /nfs/dbraw/zinc/58/13/22/583581322.db2.gz JXGKJPBQQPNOMQ-RYUDHWBXSA-N 0 3 236.334 3.137 20 0 BGADHN C[C@@H]1CCCC[C@@H]1CNCc1cccnc1F ZINC000793289053 583581316 /nfs/dbraw/zinc/58/13/16/583581316.db2.gz JXGKJPBQQPNOMQ-VXGBXAGGSA-N 0 3 236.334 3.137 20 0 BGADHN CC1(C)CCCC[C@H]1NCc1cccnc1F ZINC000793289485 586016199 /nfs/dbraw/zinc/01/61/99/586016199.db2.gz MXPBCKLXBCOUQN-GFCCVEGCSA-N 0 3 236.334 3.279 20 0 BGADHN CC1(C)CCCC[C@@H]1NCc1cccnc1F ZINC000793289489 586016325 /nfs/dbraw/zinc/01/63/25/586016325.db2.gz MXPBCKLXBCOUQN-LBPRGKRZSA-N 0 3 236.334 3.279 20 0 BGADHN C[C@@H]1CCC[C@H](CNCc2cccnc2F)C1 ZINC000793290345 586016207 /nfs/dbraw/zinc/01/62/07/586016207.db2.gz STRAYWAGLMYVFH-NEPJUHHUSA-N 0 3 236.334 3.137 20 0 BGADHN C[C@H]1CCC[C@@H](CNCc2cccnc2F)C1 ZINC000793290348 586016406 /nfs/dbraw/zinc/01/64/06/586016406.db2.gz STRAYWAGLMYVFH-NWDGAFQWSA-N 0 3 236.334 3.137 20 0 BGADHN C[C@H]1CCC[C@H](CNCc2cccnc2F)C1 ZINC000793290351 586016193 /nfs/dbraw/zinc/01/61/93/586016193.db2.gz STRAYWAGLMYVFH-RYUDHWBXSA-N 0 3 236.334 3.137 20 0 BGADHN C[C@@H]1CCC[C@@H](CNCc2cccnc2F)C1 ZINC000793290354 586016283 /nfs/dbraw/zinc/01/62/83/586016283.db2.gz STRAYWAGLMYVFH-VXGBXAGGSA-N 0 3 236.334 3.137 20 0 BGADHN Fc1ccccc1CCCNCc1ccoc1 ZINC000793348397 586017196 /nfs/dbraw/zinc/01/71/96/586017196.db2.gz YKRRNRUGEGJOOD-UHFFFAOYSA-N 0 3 233.286 3.141 20 0 BGADHN Cc1ccccc1CN1CCC(F)(F)CC1 ZINC000793353794 586017272 /nfs/dbraw/zinc/01/72/72/586017272.db2.gz VMLZDDZPRIBZMT-UHFFFAOYSA-N 0 3 225.282 3.226 20 0 BGADHN CCN(Cc1ccc(F)nc1C)CC1CCC1 ZINC000793353871 586017370 /nfs/dbraw/zinc/01/73/70/586017370.db2.gz WPWJGFVFMQRFFO-UHFFFAOYSA-N 0 3 236.334 3.151 20 0 BGADHN CN(Cc1ccc(F)nc1)[C@@H]1CCC(C)(C)C1 ZINC000793359270 586017397 /nfs/dbraw/zinc/01/73/97/586017397.db2.gz USBKTQKXFFGOTL-GFCCVEGCSA-N 0 3 236.334 3.231 20 0 BGADHN CN(Cc1ccc(F)nc1)[C@H]1CCC(C)(C)C1 ZINC000793359271 586017480 /nfs/dbraw/zinc/01/74/80/586017480.db2.gz USBKTQKXFFGOTL-LBPRGKRZSA-N 0 3 236.334 3.231 20 0 BGADHN CCc1ccc(CN2CCC(F)(F)CC2)cc1 ZINC000793361098 586017645 /nfs/dbraw/zinc/01/76/45/586017645.db2.gz DMYHXDVSBCDJOS-UHFFFAOYSA-N 0 3 239.309 3.480 20 0 BGADHN C[C@@H](Cc1ccsc1)N1CCC(F)(F)CC1 ZINC000793361876 586017527 /nfs/dbraw/zinc/01/75/27/586017527.db2.gz MDICIOOJYFNEGK-JTQLQIEISA-N 0 3 245.338 3.410 20 0 BGADHN C[C@H](Cc1ccsc1)N1CCC(F)(F)CC1 ZINC000793361877 586017533 /nfs/dbraw/zinc/01/75/33/586017533.db2.gz MDICIOOJYFNEGK-SNVBAGLBSA-N 0 3 245.338 3.410 20 0 BGADHN Cc1cc([C@@H](C)N[C@H](C)c2ccccc2)n(C)n1 ZINC000793516556 586021481 /nfs/dbraw/zinc/02/14/81/586021481.db2.gz KQYYPQNLHMLEPM-CHWSQXEVSA-N 0 3 243.354 3.140 20 0 BGADHN Cc1cc([C@H](C)N[C@H](C)c2ccccc2)n(C)n1 ZINC000793516557 586021254 /nfs/dbraw/zinc/02/12/54/586021254.db2.gz KQYYPQNLHMLEPM-OLZOCXBDSA-N 0 3 243.354 3.140 20 0 BGADHN Cc1cc([C@@H](C)N[C@@H](C)c2ccccc2)n(C)n1 ZINC000793516558 586021416 /nfs/dbraw/zinc/02/14/16/586021416.db2.gz KQYYPQNLHMLEPM-QWHCGFSZSA-N 0 3 243.354 3.140 20 0 BGADHN Cc1cc([C@H](C)N[C@@H](C)c2ccccc2)n(C)n1 ZINC000793516559 586021441 /nfs/dbraw/zinc/02/14/41/586021441.db2.gz KQYYPQNLHMLEPM-STQMWFEESA-N 0 3 243.354 3.140 20 0 BGADHN Cc1cc([C@@H](C)NCCC2=CCCCC2)n(C)n1 ZINC000793521202 586021242 /nfs/dbraw/zinc/02/12/42/586021242.db2.gz VWUFZEQMJJULTI-CYBMUJFWSA-N 0 3 247.386 3.270 20 0 BGADHN Cc1cc([C@H](C)NCCC2=CCCCC2)n(C)n1 ZINC000793521203 586021418 /nfs/dbraw/zinc/02/14/18/586021418.db2.gz VWUFZEQMJJULTI-ZDUSSCGKSA-N 0 3 247.386 3.270 20 0 BGADHN CC(C)C(CN1CCC[C@H]1c1ncc[nH]1)C(C)C ZINC000793587760 586023524 /nfs/dbraw/zinc/02/35/24/586023524.db2.gz RZELRRKDFOAJHZ-AWEZNQCLSA-N 0 3 249.402 3.475 20 0 BGADHN CC(C)C(CN1CCC[C@@H]1c1ncc[nH]1)C(C)C ZINC000793587761 586023624 /nfs/dbraw/zinc/02/36/24/586023624.db2.gz RZELRRKDFOAJHZ-CQSZACIVSA-N 0 3 249.402 3.475 20 0 BGADHN Cc1cc(CN2CCC[C@@H]2[C@@H]2CCCO2)c(C)o1 ZINC000793609070 586024058 /nfs/dbraw/zinc/02/40/58/586024058.db2.gz NDNFUXQIUIRORD-CABCVRRESA-N 0 3 249.354 3.040 20 0 BGADHN Cc1cc(CN2CCC[C@H]2[C@@H]2CCCO2)c(C)o1 ZINC000793609072 586024144 /nfs/dbraw/zinc/02/41/44/586024144.db2.gz NDNFUXQIUIRORD-GJZGRUSLSA-N 0 3 249.354 3.040 20 0 BGADHN Cc1cc(CN2CCC[C@@H]2[C@H]2CCCO2)c(C)o1 ZINC000793609073 586024084 /nfs/dbraw/zinc/02/40/84/586024084.db2.gz NDNFUXQIUIRORD-HUUCEWRRSA-N 0 3 249.354 3.040 20 0 BGADHN Cc1cc(CN2CCC[C@H]2[C@H]2CCCO2)c(C)o1 ZINC000793609074 586024043 /nfs/dbraw/zinc/02/40/43/586024043.db2.gz NDNFUXQIUIRORD-LSDHHAIUSA-N 0 3 249.354 3.040 20 0 BGADHN CC1(CN2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)CC1 ZINC000793609884 586023951 /nfs/dbraw/zinc/02/39/51/586023951.db2.gz CXTQGEVWIHEAID-GXSJLCMTSA-N 0 3 248.197 3.302 20 0 BGADHN CC1(CN2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)CC1 ZINC000793609886 586024080 /nfs/dbraw/zinc/02/40/80/586024080.db2.gz CXTQGEVWIHEAID-KOLCDFICSA-N 0 3 248.197 3.302 20 0 BGADHN CC[C@@H]1CCN1Cn1cnc2cc(C)c(C)cc21 ZINC000793823139 586027501 /nfs/dbraw/zinc/02/75/01/586027501.db2.gz KRCOYRVVOJBNOV-CYBMUJFWSA-N 0 3 243.354 3.095 20 0 BGADHN CC[C@H]1CCN1Cn1cnc2cc(C)c(C)cc21 ZINC000793823156 586027541 /nfs/dbraw/zinc/02/75/41/586027541.db2.gz KRCOYRVVOJBNOV-ZDUSSCGKSA-N 0 3 243.354 3.095 20 0 BGADHN Cc1cnc([C@@H](C)N2CCCCCCC2)cn1 ZINC000794253897 586036056 /nfs/dbraw/zinc/03/60/56/586036056.db2.gz FYYSCKQBTZBJGD-CYBMUJFWSA-N 0 3 233.359 3.112 20 0 BGADHN Cc1cnc([C@H](C)N2CCCCCCC2)cn1 ZINC000794253902 586036126 /nfs/dbraw/zinc/03/61/26/586036126.db2.gz FYYSCKQBTZBJGD-ZDUSSCGKSA-N 0 3 233.359 3.112 20 0 BGADHN CCc1nc(C)c(CN2CCCCCCC2)o1 ZINC000794255503 586036287 /nfs/dbraw/zinc/03/62/87/586036287.db2.gz RGNKZTGKNVWZAI-UHFFFAOYSA-N 0 3 236.359 3.312 20 0 BGADHN Cc1cnc([C@@H](C)N2CCC3(CCCC3)C2)cn1 ZINC000794383236 586038966 /nfs/dbraw/zinc/03/89/66/586038966.db2.gz NNLAHRZJNRPOQV-CYBMUJFWSA-N 0 3 245.370 3.112 20 0 BGADHN Cc1cnc([C@H](C)N2CCC3(CCCC3)C2)cn1 ZINC000794383239 586038815 /nfs/dbraw/zinc/03/88/15/586038815.db2.gz NNLAHRZJNRPOQV-ZDUSSCGKSA-N 0 3 245.370 3.112 20 0 BGADHN CC(C)O[C@H](CN1CC[C@H]2C[C@H]21)c1ccccc1 ZINC000794447367 586039989 /nfs/dbraw/zinc/03/99/89/586039989.db2.gz BRXNQTMKURBLRA-ARFHVFGLSA-N 0 3 245.366 3.247 20 0 BGADHN CC(C)O[C@H](CN1CC[C@@H]2C[C@@H]21)c1ccccc1 ZINC000794447375 586039807 /nfs/dbraw/zinc/03/98/07/586039807.db2.gz BRXNQTMKURBLRA-OWCLPIDISA-N 0 3 245.366 3.247 20 0 BGADHN CCc1nc(C)c(CN[C@H]2[C@H](C)CC[C@@H]2C)o1 ZINC000794547694 586043357 /nfs/dbraw/zinc/04/33/57/586043357.db2.gz SPTFNDIDGYBQBR-MSRIBSCDSA-N 0 3 236.359 3.070 20 0 BGADHN CCc1nc(C)c(CNC2[C@H](C)CC[C@H]2C)o1 ZINC000794547702 586043371 /nfs/dbraw/zinc/04/33/71/586043371.db2.gz SPTFNDIDGYBQBR-NXEZZACHSA-N 0 3 236.359 3.070 20 0 BGADHN CCc1nc(C)c(CNC2[C@@H](C)CC[C@@H]2C)o1 ZINC000794547705 586043519 /nfs/dbraw/zinc/04/35/19/586043519.db2.gz SPTFNDIDGYBQBR-UWVGGRQHSA-N 0 3 236.359 3.070 20 0 BGADHN CN(Cc1cc2ccccc2c(Cl)n1)C1CC1 ZINC000794551573 586043632 /nfs/dbraw/zinc/04/36/32/586043632.db2.gz SABBATAAIAZUDN-UHFFFAOYSA-N 0 3 246.741 3.482 20 0 BGADHN CC(C)N(Cc1cnc[nH]1)[C@H](C)c1ccccc1 ZINC000794683637 586046625 /nfs/dbraw/zinc/04/66/25/586046625.db2.gz JIGYOWLLIXBOBK-CYBMUJFWSA-N 0 3 243.354 3.381 20 0 BGADHN CC(C)N(Cc1cnc[nH]1)[C@@H](C)c1ccccc1 ZINC000794683639 586046581 /nfs/dbraw/zinc/04/65/81/586046581.db2.gz JIGYOWLLIXBOBK-ZDUSSCGKSA-N 0 3 243.354 3.381 20 0 BGADHN CC(C)N(CCF)[C@H](C)c1ccccc1 ZINC000794686646 586046719 /nfs/dbraw/zinc/04/67/19/586046719.db2.gz VVSXPKHUWPFKDB-GFCCVEGCSA-N 0 3 209.308 3.428 20 0 BGADHN CC(C)N(CCF)[C@@H](C)c1ccccc1 ZINC000794686648 586046569 /nfs/dbraw/zinc/04/65/69/586046569.db2.gz VVSXPKHUWPFKDB-LBPRGKRZSA-N 0 3 209.308 3.428 20 0 BGADHN CCc1noc(C)c1[C@H](C)NCCC1(C)CC1 ZINC000794826321 586049658 /nfs/dbraw/zinc/04/96/58/586049658.db2.gz BFCJRCQSVNRMGQ-JTQLQIEISA-N 0 3 236.359 3.386 20 0 BGADHN CCc1noc(C)c1[C@@H](C)NCCC1(C)CC1 ZINC000794826323 586049924 /nfs/dbraw/zinc/04/99/24/586049924.db2.gz BFCJRCQSVNRMGQ-SNVBAGLBSA-N 0 3 236.359 3.386 20 0 BGADHN Fc1ncccc1CN[C@@H]1CCC12CCCC2 ZINC000794832168 586049554 /nfs/dbraw/zinc/04/95/54/586049554.db2.gz CPOYVMNFEKXSHR-GFCCVEGCSA-N 0 3 234.318 3.033 20 0 BGADHN Fc1ncccc1CN[C@H]1CCC12CCCC2 ZINC000794832173 586050126 /nfs/dbraw/zinc/05/01/26/586050126.db2.gz CPOYVMNFEKXSHR-LBPRGKRZSA-N 0 3 234.318 3.033 20 0 BGADHN CC[C@H]1CCCC[C@@H]1NCc1cccnc1F ZINC000794834599 586049654 /nfs/dbraw/zinc/04/96/54/586049654.db2.gz JVUSZUGEYKKVFE-AAEUAGOBSA-N 0 3 236.334 3.279 20 0 BGADHN CC[C@@H]1CCCC[C@H]1NCc1cccnc1F ZINC000794834602 586049823 /nfs/dbraw/zinc/04/98/23/586049823.db2.gz JVUSZUGEYKKVFE-DGCLKSJQSA-N 0 3 236.334 3.279 20 0 BGADHN CC[C@H]1CCCC[C@H]1NCc1cccnc1F ZINC000794834605 586049724 /nfs/dbraw/zinc/04/97/24/586049724.db2.gz JVUSZUGEYKKVFE-WCQYABFASA-N 0 3 236.334 3.279 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1NCc1cccnc1F ZINC000794834608 586050089 /nfs/dbraw/zinc/05/00/89/586050089.db2.gz JVUSZUGEYKKVFE-YPMHNXCESA-N 0 3 236.334 3.279 20 0 BGADHN ClC1(Cl)C[C@@H]1CN1CCC(C2CC2)CC1 ZINC000794893126 586053450 /nfs/dbraw/zinc/05/34/50/586053450.db2.gz AQMJIHGQAKYOJX-LLVKDONJSA-N 0 3 248.197 3.302 20 0 BGADHN ClC1(Cl)C[C@H]1CN1CCC(C2CC2)CC1 ZINC000794893127 586053578 /nfs/dbraw/zinc/05/35/78/586053578.db2.gz AQMJIHGQAKYOJX-NSHDSACASA-N 0 3 248.197 3.302 20 0 BGADHN FC1(F)CCN(c2ccnc3ccccc32)CC1 ZINC000795271251 586074180 /nfs/dbraw/zinc/07/41/80/586074180.db2.gz LEEYIFWMKVWEOW-UHFFFAOYSA-N 0 3 248.276 3.470 20 0 BGADHN CSCCN1CC=C(c2ccc(C)cc2)CC1 ZINC000795385551 586076962 /nfs/dbraw/zinc/07/69/62/586076962.db2.gz CKFUSNYKIKLBBD-UHFFFAOYSA-N 0 3 247.407 3.447 20 0 BGADHN COc1ccc(CN(C)CCCCF)cc1F ZINC000795851734 586093485 /nfs/dbraw/zinc/09/34/85/586093485.db2.gz GYQOCRSCBLFCRE-UHFFFAOYSA-N 0 3 243.297 3.016 20 0 BGADHN Cc1cccc2c1CCN(CCCCF)C2 ZINC000795897495 586094121 /nfs/dbraw/zinc/09/41/21/586094121.db2.gz VKLMGDBLBOLDHW-UHFFFAOYSA-N 0 3 221.319 3.103 20 0 BGADHN Cc1cc(CN2CCC(C)=C(C)C2)c(C)o1 ZINC000796017200 586096405 /nfs/dbraw/zinc/09/64/05/586096405.db2.gz GWAMWPWWWHSKBZ-UHFFFAOYSA-N 0 3 219.328 3.439 20 0 BGADHN CC1=C(C)CN(Cc2ccc3c(c2)COC3)CC1 ZINC000796018081 586096332 /nfs/dbraw/zinc/09/63/32/586096332.db2.gz LVRQXLABLYBGHT-UHFFFAOYSA-N 0 3 243.350 3.259 20 0 BGADHN C[C@]1(c2ccccc2)CCCN(CCF)CC1 ZINC000796201667 586098755 /nfs/dbraw/zinc/09/87/55/586098755.db2.gz MPWUVLIXUGVVQB-HNNXBMFYSA-N 0 3 235.346 3.400 20 0 BGADHN C[C@@]1(c2ccccc2)CCCN(CCF)CC1 ZINC000796201669 586098791 /nfs/dbraw/zinc/09/87/91/586098791.db2.gz MPWUVLIXUGVVQB-OAHLLOKOSA-N 0 3 235.346 3.400 20 0 BGADHN FCCN1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000796279956 586099954 /nfs/dbraw/zinc/09/99/54/586099954.db2.gz FYFDWZDMUQFTNG-KFWWJZLASA-N 0 3 233.330 3.224 20 0 BGADHN FCCN1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000796279962 586099867 /nfs/dbraw/zinc/09/98/67/586099867.db2.gz FYFDWZDMUQFTNG-RBSFLKMASA-N 0 3 233.330 3.224 20 0 BGADHN FCCN1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000796279965 586099904 /nfs/dbraw/zinc/09/99/04/586099904.db2.gz FYFDWZDMUQFTNG-RRFJBIMHSA-N 0 3 233.330 3.224 20 0 BGADHN FCCN1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000796279968 586099778 /nfs/dbraw/zinc/09/97/78/586099778.db2.gz FYFDWZDMUQFTNG-ZNMIVQPWSA-N 0 3 233.330 3.224 20 0 BGADHN c1cc2cc(CNCCOC3CCC3)ccc2o1 ZINC000796315401 586100547 /nfs/dbraw/zinc/10/05/47/586100547.db2.gz LHEMPTOYKFYYSF-UHFFFAOYSA-N 0 3 245.322 3.092 20 0 BGADHN CCC[C@](C)(CC)C(=O)OCCN(CC)CC ZINC000796336115 586101222 /nfs/dbraw/zinc/10/12/22/586101222.db2.gz RDIKZVLBMPFRKV-AWEZNQCLSA-N 0 3 243.391 3.088 20 0 BGADHN CCC[C@@](C)(CC)C(=O)OCCN(CC)CC ZINC000796336116 586101135 /nfs/dbraw/zinc/10/11/35/586101135.db2.gz RDIKZVLBMPFRKV-CQSZACIVSA-N 0 3 243.391 3.088 20 0 BGADHN c1cc2cc(CNC[C@@H]3CCC=CO3)ccc2o1 ZINC000796359314 586101616 /nfs/dbraw/zinc/10/16/16/586101616.db2.gz SKSHZOFIADNNFV-AWEZNQCLSA-N 0 3 243.306 3.215 20 0 BGADHN c1cc2cc(CNC[C@H]3CCC=CO3)ccc2o1 ZINC000796359317 586101649 /nfs/dbraw/zinc/10/16/49/586101649.db2.gz SKSHZOFIADNNFV-CQSZACIVSA-N 0 3 243.306 3.215 20 0 BGADHN C[C@H]1CC[C@H](c2ccccc2)N(CCF)C1 ZINC000796433456 644811726 /nfs/dbraw/zinc/81/17/26/644811726.db2.gz DMQQDJCANCCTJY-GXTWGEPZSA-N 0 3 221.319 3.429 20 0 BGADHN C[C@H]1CC[C@@H](c2ccccc2)N(CCF)C1 ZINC000796433458 644811791 /nfs/dbraw/zinc/81/17/91/644811791.db2.gz DMQQDJCANCCTJY-JSGCOSHPSA-N 0 3 221.319 3.429 20 0 BGADHN C[C@@H]1CC[C@@H](c2ccccc2)N(CCF)C1 ZINC000796433461 644812334 /nfs/dbraw/zinc/81/23/34/644812334.db2.gz DMQQDJCANCCTJY-OCCSQVGLSA-N 0 3 221.319 3.429 20 0 BGADHN C[C@@H]1CC[C@H](c2ccccc2)N(CCF)C1 ZINC000796433462 644812168 /nfs/dbraw/zinc/81/21/68/644812168.db2.gz DMQQDJCANCCTJY-TZMCWYRMSA-N 0 3 221.319 3.429 20 0 BGADHN Cc1nccc(CN(C)C2CCCCCCC2)n1 ZINC000796456553 586103988 /nfs/dbraw/zinc/10/39/88/586103988.db2.gz QEHBNZADIAXSOT-UHFFFAOYSA-N 0 3 247.386 3.330 20 0 BGADHN CCCCCCN1CCOc2cc(O)ccc2C1 ZINC000796466703 586104314 /nfs/dbraw/zinc/10/43/14/586104314.db2.gz PXPVOHPFBRJXSS-UHFFFAOYSA-N 0 3 249.354 3.167 20 0 BGADHN Cc1cc(CNCC2(C(F)(F)F)CC2)c(C)o1 ZINC000796488408 586105096 /nfs/dbraw/zinc/10/50/96/586105096.db2.gz GNQIHZQNXPHKGN-UHFFFAOYSA-N 0 3 247.260 3.329 20 0 BGADHN CCCCCCN(C)Cc1cnccc1C ZINC000796510811 586105456 /nfs/dbraw/zinc/10/54/56/586105456.db2.gz UXNFHCXABHOVKA-UHFFFAOYSA-N 0 3 220.360 3.402 20 0 BGADHN FC1(F)CCN(CCc2cccs2)CC1 ZINC000796537138 586105886 /nfs/dbraw/zinc/10/58/86/586105886.db2.gz HUFKJONKIWIKFB-UHFFFAOYSA-N 0 3 231.311 3.022 20 0 BGADHN Cc1ccc(CCN2CCC(F)(F)CC2)cc1 ZINC000796538943 586106336 /nfs/dbraw/zinc/10/63/36/586106336.db2.gz QPJRZUXIBBBQME-UHFFFAOYSA-N 0 3 239.309 3.269 20 0 BGADHN FC1(F)CCN(CCCc2ccsc2)CC1 ZINC000796538968 586105736 /nfs/dbraw/zinc/10/57/36/586105736.db2.gz RWLFJENEPOSUGH-UHFFFAOYSA-N 0 3 245.338 3.412 20 0 BGADHN CCCCCCN1CCC(F)(F)CC1 ZINC000796539736 586106295 /nfs/dbraw/zinc/10/62/95/586106295.db2.gz DKAYXANRSVOAJI-UHFFFAOYSA-N 0 3 205.292 3.298 20 0 BGADHN FC1(F)CCN(CCCc2ccccc2)CC1 ZINC000796541020 586106310 /nfs/dbraw/zinc/10/63/10/586106310.db2.gz NCEFFIPXWXDPCZ-UHFFFAOYSA-N 0 3 239.309 3.350 20 0 BGADHN FC1(F)CCN([C@@H]2CCc3ccccc32)CC1 ZINC000796541602 586106400 /nfs/dbraw/zinc/10/64/00/586106400.db2.gz VIAIQSNVYQZTFZ-CYBMUJFWSA-N 0 3 237.293 3.405 20 0 BGADHN FC1(F)CCN([C@H]2CCc3ccccc32)CC1 ZINC000796541604 586106477 /nfs/dbraw/zinc/10/64/77/586106477.db2.gz VIAIQSNVYQZTFZ-ZDUSSCGKSA-N 0 3 237.293 3.405 20 0 BGADHN CC/C=C\CCN1CCC(F)(F)CC1 ZINC000796541631 586106420 /nfs/dbraw/zinc/10/64/20/586106420.db2.gz VVHLESBGCRDXLK-ARJAWSKDSA-N 0 3 203.276 3.074 20 0 BGADHN CC/C=C/CCN1CCC(F)(F)CC1 ZINC000796541638 586106454 /nfs/dbraw/zinc/10/64/54/586106454.db2.gz VVHLESBGCRDXLK-ONEGZZNKSA-N 0 3 203.276 3.074 20 0 BGADHN CCc1ccccc1CN1CCC(F)(F)CC1 ZINC000796541765 586106323 /nfs/dbraw/zinc/10/63/23/586106323.db2.gz ZNLKUHXNSJINDQ-UHFFFAOYSA-N 0 3 239.309 3.480 20 0 BGADHN CCCCCC[C@H](O)CN1CCC(F)(F)CC1 ZINC000796542918 586106875 /nfs/dbraw/zinc/10/68/75/586106875.db2.gz LOJKTBOJWGVCCT-LBPRGKRZSA-N 0 3 249.345 3.049 20 0 BGADHN CCc1ccc([C@H]2CCCN(CCF)C2)cc1 ZINC000796583326 586107817 /nfs/dbraw/zinc/10/78/17/586107817.db2.gz FWIXBYMGXWYYEC-HNNXBMFYSA-N 0 3 235.346 3.398 20 0 BGADHN CCc1ccc([C@@H]2CCCN(CCF)C2)cc1 ZINC000796583328 586108046 /nfs/dbraw/zinc/10/80/46/586108046.db2.gz FWIXBYMGXWYYEC-OAHLLOKOSA-N 0 3 235.346 3.398 20 0 BGADHN Cc1ccccc1[C@@H](O)CN1CCC(C)=C(C)C1 ZINC000796589138 586107771 /nfs/dbraw/zinc/10/77/71/586107771.db2.gz CCLZWTPDUALAIN-INIZCTEOSA-N 0 3 245.366 3.071 20 0 BGADHN Cc1ccccc1[C@H](O)CN1CCC(C)=C(C)C1 ZINC000796589139 583863578 /nfs/dbraw/zinc/86/35/78/583863578.db2.gz CCLZWTPDUALAIN-MRXNPFEDSA-N 0 3 245.366 3.071 20 0 BGADHN CC1=C(C)CN(C[C@@H]2CC2(Cl)Cl)CC1 ZINC000796589904 586107926 /nfs/dbraw/zinc/10/79/26/586107926.db2.gz NNBJACPSPNQESL-JTQLQIEISA-N 0 3 234.170 3.222 20 0 BGADHN CC1=C(C)CN(C[C@H]2CC2(Cl)Cl)CC1 ZINC000796589905 586107911 /nfs/dbraw/zinc/10/79/11/586107911.db2.gz NNBJACPSPNQESL-SNVBAGLBSA-N 0 3 234.170 3.222 20 0 BGADHN Cc1ccc([C@@H](O)CN2CCC(C)=C(C)C2)cc1 ZINC000796593166 586108168 /nfs/dbraw/zinc/10/81/68/586108168.db2.gz JJSMLOJCJRXDCK-INIZCTEOSA-N 0 3 245.366 3.071 20 0 BGADHN Cc1ccc([C@H](O)CN2CCC(C)=C(C)C2)cc1 ZINC000796593168 586108066 /nfs/dbraw/zinc/10/80/66/586108066.db2.gz JJSMLOJCJRXDCK-MRXNPFEDSA-N 0 3 245.366 3.071 20 0 BGADHN CC1=C(C)CN(CCC(=O)C(C)(C)C)CC1 ZINC000796594375 586108308 /nfs/dbraw/zinc/10/83/08/586108308.db2.gz SSWBRGDLZVOVCS-UHFFFAOYSA-N 0 3 223.360 3.034 20 0 BGADHN C[C@H]1C[C@@H](c2ccccc2)N(CCF)C1 ZINC000796619913 586108541 /nfs/dbraw/zinc/10/85/41/586108541.db2.gz NKJCVXXKOVYPFC-AAEUAGOBSA-N 0 3 207.292 3.039 20 0 BGADHN C[C@@H]1C[C@H](c2ccccc2)N(CCF)C1 ZINC000796619915 586108661 /nfs/dbraw/zinc/10/86/61/586108661.db2.gz NKJCVXXKOVYPFC-DGCLKSJQSA-N 0 3 207.292 3.039 20 0 BGADHN C[C@H]1C[C@H](c2ccccc2)N(CCF)C1 ZINC000796619917 586108706 /nfs/dbraw/zinc/10/87/06/586108706.db2.gz NKJCVXXKOVYPFC-WCQYABFASA-N 0 3 207.292 3.039 20 0 BGADHN C[C@@H]1C[C@@H](c2ccccc2)N(CCF)C1 ZINC000796619919 586108449 /nfs/dbraw/zinc/10/84/49/586108449.db2.gz NKJCVXXKOVYPFC-YPMHNXCESA-N 0 3 207.292 3.039 20 0 BGADHN C[C@@H](NCCCCc1ccccc1)c1ncc[nH]1 ZINC000796680466 586110138 /nfs/dbraw/zinc/11/01/38/586110138.db2.gz SNRPFQGLUZRHAL-CYBMUJFWSA-N 0 3 243.354 3.083 20 0 BGADHN C[C@H](NCCCCc1ccccc1)c1ncc[nH]1 ZINC000796680467 586110118 /nfs/dbraw/zinc/11/01/18/586110118.db2.gz SNRPFQGLUZRHAL-ZDUSSCGKSA-N 0 3 243.354 3.083 20 0 BGADHN C[C@@H](NC[C@@H](C)c1cccc(F)c1)c1ncc[nH]1 ZINC000796705751 586110566 /nfs/dbraw/zinc/11/05/66/586110566.db2.gz HPQQUJBZFVVHRG-GHMZBOCLSA-N 0 3 247.317 3.003 20 0 BGADHN C[C@H](CN[C@@H](C)c1ncc[nH]1)c1cccc(F)c1 ZINC000796705752 586110468 /nfs/dbraw/zinc/11/04/68/586110468.db2.gz HPQQUJBZFVVHRG-MNOVXSKESA-N 0 3 247.317 3.003 20 0 BGADHN C[C@@H](CN[C@@H](C)c1ncc[nH]1)c1cccc(F)c1 ZINC000796705753 586110455 /nfs/dbraw/zinc/11/04/55/586110455.db2.gz HPQQUJBZFVVHRG-QWRGUYRKSA-N 0 3 247.317 3.003 20 0 BGADHN C[C@@H](CN[C@H](C)c1ncc[nH]1)c1cccc(F)c1 ZINC000796705754 586110473 /nfs/dbraw/zinc/11/04/73/586110473.db2.gz HPQQUJBZFVVHRG-WDEREUQCSA-N 0 3 247.317 3.003 20 0 BGADHN CC[C@H](N[C@@H](C)c1ncc[nH]1)C1CCCCC1 ZINC000796737873 586111126 /nfs/dbraw/zinc/11/11/26/586111126.db2.gz FJBXMOALAMVEOC-AAEUAGOBSA-N 0 3 235.375 3.419 20 0 BGADHN CC[C@@H](N[C@H](C)c1ncc[nH]1)C1CCCCC1 ZINC000796737874 586111195 /nfs/dbraw/zinc/11/11/95/586111195.db2.gz FJBXMOALAMVEOC-DGCLKSJQSA-N 0 3 235.375 3.419 20 0 BGADHN CC[C@@H](N[C@@H](C)c1ncc[nH]1)C1CCCCC1 ZINC000796737875 586111114 /nfs/dbraw/zinc/11/11/14/586111114.db2.gz FJBXMOALAMVEOC-WCQYABFASA-N 0 3 235.375 3.419 20 0 BGADHN CC[C@H](N[C@H](C)c1ncc[nH]1)C1CCCCC1 ZINC000796737876 586111133 /nfs/dbraw/zinc/11/11/33/586111133.db2.gz FJBXMOALAMVEOC-YPMHNXCESA-N 0 3 235.375 3.419 20 0 BGADHN Cc1noc(C)c1[C@H](C)N[C@H]1CC[C@@H]1C(C)C ZINC000796760381 586111633 /nfs/dbraw/zinc/11/16/33/586111633.db2.gz LBYRNXPJSQYGDX-BIMULSAOSA-N 0 3 236.359 3.377 20 0 BGADHN Cc1noc(C)c1[C@H](C)N[C@@H]1CC[C@H]1C(C)C ZINC000796760383 586111499 /nfs/dbraw/zinc/11/14/99/586111499.db2.gz LBYRNXPJSQYGDX-TVYUQYBPSA-N 0 3 236.359 3.377 20 0 BGADHN Cc1noc(C)c1[C@H](C)N[C@H]1CC[C@H]1C(C)C ZINC000796760386 586111649 /nfs/dbraw/zinc/11/16/49/586111649.db2.gz LBYRNXPJSQYGDX-XDTLVQLUSA-N 0 3 236.359 3.377 20 0 BGADHN Cc1noc(C)c1[C@H](C)N[C@@H]1CC[C@@H]1C(C)C ZINC000796760388 586111533 /nfs/dbraw/zinc/11/15/33/586111533.db2.gz LBYRNXPJSQYGDX-ZWKOPEQDSA-N 0 3 236.359 3.377 20 0 BGADHN CC(C)c1cc(CN[C@@H]2CC[C@@H]2C(C)C)on1 ZINC000796762985 586111784 /nfs/dbraw/zinc/11/17/84/586111784.db2.gz RFSOJBFRISOFMI-CHWSQXEVSA-N 0 3 236.359 3.322 20 0 BGADHN CC(C)c1cc(CN[C@H]2CC[C@@H]2C(C)C)on1 ZINC000796762986 586111813 /nfs/dbraw/zinc/11/18/13/586111813.db2.gz RFSOJBFRISOFMI-OLZOCXBDSA-N 0 3 236.359 3.322 20 0 BGADHN CC(C)c1cc(CN[C@@H]2CC[C@H]2C(C)C)on1 ZINC000796762988 586111811 /nfs/dbraw/zinc/11/18/11/586111811.db2.gz RFSOJBFRISOFMI-QWHCGFSZSA-N 0 3 236.359 3.322 20 0 BGADHN CC(C)c1cc(CN[C@H]2CC[C@H]2C(C)C)on1 ZINC000796762990 586111772 /nfs/dbraw/zinc/11/17/72/586111772.db2.gz RFSOJBFRISOFMI-STQMWFEESA-N 0 3 236.359 3.322 20 0 BGADHN CCCCC[C@H](C)N[C@@H](c1nccn1C)C1CC1 ZINC000797036149 586119379 /nfs/dbraw/zinc/11/93/79/586119379.db2.gz KSRLISZCBSGOEM-GXTWGEPZSA-N 0 3 249.402 3.430 20 0 BGADHN CCCCC[C@H](C)N[C@H](c1nccn1C)C1CC1 ZINC000797036151 586119383 /nfs/dbraw/zinc/11/93/83/586119383.db2.gz KSRLISZCBSGOEM-JSGCOSHPSA-N 0 3 249.402 3.430 20 0 BGADHN CCCCC[C@@H](C)N[C@H](c1nccn1C)C1CC1 ZINC000797036152 586119241 /nfs/dbraw/zinc/11/92/41/586119241.db2.gz KSRLISZCBSGOEM-OCCSQVGLSA-N 0 3 249.402 3.430 20 0 BGADHN CCCCC[C@@H](C)N[C@@H](c1nccn1C)C1CC1 ZINC000797036153 586119225 /nfs/dbraw/zinc/11/92/25/586119225.db2.gz KSRLISZCBSGOEM-TZMCWYRMSA-N 0 3 249.402 3.430 20 0 BGADHN c1ccc2oc(SCCN3CCCC3)nc2c1 ZINC000797391025 586126036 /nfs/dbraw/zinc/12/60/36/586126036.db2.gz DDQVSMKLGKOALB-UHFFFAOYSA-N 0 3 248.351 3.016 20 0 BGADHN CC1=C[C@@H](C)CN(C[C@H]2CC2(Cl)Cl)C1 ZINC000797526531 586128221 /nfs/dbraw/zinc/12/82/21/586128221.db2.gz SYCJTHFUBRZEGC-PSASIEDQSA-N 0 3 234.170 3.078 20 0 BGADHN CC1=C[C@@H](C)CN(C[C@@H]2CC2(Cl)Cl)C1 ZINC000797526532 586128203 /nfs/dbraw/zinc/12/82/03/586128203.db2.gz SYCJTHFUBRZEGC-SCZZXKLOSA-N 0 3 234.170 3.078 20 0 BGADHN CC1=C[C@H](C)CN(C[C@H]2CC2(Cl)Cl)C1 ZINC000797526533 586128343 /nfs/dbraw/zinc/12/83/43/586128343.db2.gz SYCJTHFUBRZEGC-WCBMZHEXSA-N 0 3 234.170 3.078 20 0 BGADHN CC1=C[C@H](C)CN(C[C@@H]2CC2(Cl)Cl)C1 ZINC000797526534 586128452 /nfs/dbraw/zinc/12/84/52/586128452.db2.gz SYCJTHFUBRZEGC-WPRPVWTQSA-N 0 3 234.170 3.078 20 0 BGADHN Cc1cc(CN(C(C)C)C2CC2)cc(Cl)n1 ZINC000797589952 586129249 /nfs/dbraw/zinc/12/92/49/586129249.db2.gz SDFYVNDCZXORBF-UHFFFAOYSA-N 0 3 238.762 3.416 20 0 BGADHN Cc1cc(CN[C@@H](C)c2ccc[nH]2)cc(Cl)n1 ZINC000797601855 586129565 /nfs/dbraw/zinc/12/95/65/586129565.db2.gz KZFYPVYDMIDZBU-JTQLQIEISA-N 0 3 249.745 3.222 20 0 BGADHN Cc1cc(CN[C@H](C)c2ccc[nH]2)cc(Cl)n1 ZINC000797601856 586129414 /nfs/dbraw/zinc/12/94/14/586129414.db2.gz KZFYPVYDMIDZBU-SNVBAGLBSA-N 0 3 249.745 3.222 20 0 BGADHN Fc1ccccc1[C@H]1C[C@H](NCc2ccoc2)C1 ZINC000797876380 586133464 /nfs/dbraw/zinc/13/34/64/586133464.db2.gz HCYKTXKFBMASBM-JOCQHMNTSA-N 0 3 245.297 3.455 20 0 BGADHN c1cc(CN[C@@H]2C[C@@H](c3ccccc3)C2)co1 ZINC000797876585 586133443 /nfs/dbraw/zinc/13/34/43/586133443.db2.gz BTKPAERIQKJYPL-SHTZXODSSA-N 0 3 227.307 3.315 20 0 BGADHN Fc1cccc([C@H]2C[C@H](NCc3ccoc3)C2)c1 ZINC000797878930 586133569 /nfs/dbraw/zinc/13/35/69/586133569.db2.gz BUDBLGSZTVXHNC-CTYIDZIISA-N 0 3 245.297 3.455 20 0 BGADHN CSc1ccc(CCNCc2ccoc2)cc1 ZINC000797880186 586133459 /nfs/dbraw/zinc/13/34/59/586133459.db2.gz SPHKCILZMWKDLW-UHFFFAOYSA-N 0 3 247.363 3.334 20 0 BGADHN Fc1cccc(CN[C@H]2CC[C@H]2C2CC2)c1F ZINC000797905588 586134069 /nfs/dbraw/zinc/13/40/69/586134069.db2.gz YNGZMSPHTQPPME-AAEUAGOBSA-N 0 3 237.293 3.243 20 0 BGADHN Fc1cccc(CN[C@@H]2CC[C@@H]2C2CC2)c1F ZINC000797905590 586133970 /nfs/dbraw/zinc/13/39/70/586133970.db2.gz YNGZMSPHTQPPME-DGCLKSJQSA-N 0 3 237.293 3.243 20 0 BGADHN Fc1cccc(CN[C@@H]2CC[C@H]2C2CC2)c1F ZINC000797905592 586134119 /nfs/dbraw/zinc/13/41/19/586134119.db2.gz YNGZMSPHTQPPME-WCQYABFASA-N 0 3 237.293 3.243 20 0 BGADHN Fc1cccc(CN[C@H]2CC[C@@H]2C2CC2)c1F ZINC000797905594 586133934 /nfs/dbraw/zinc/13/39/34/586133934.db2.gz YNGZMSPHTQPPME-YPMHNXCESA-N 0 3 237.293 3.243 20 0 BGADHN CC1=CCCN(Cc2cncc3ccccc32)C1 ZINC000797996599 586135399 /nfs/dbraw/zinc/13/53/99/586135399.db2.gz KJSUSNKICRVNFU-UHFFFAOYSA-N 0 3 238.334 3.387 20 0 BGADHN CC1=CCCN(Cc2ccc(CF)cc2)C1 ZINC000797998321 586134890 /nfs/dbraw/zinc/13/48/90/586134890.db2.gz GCINCCFHSASSDA-UHFFFAOYSA-N 0 3 219.303 3.308 20 0 BGADHN Cc1ccc(OCCN2CCC=C(C)C2)cc1 ZINC000797998730 586135550 /nfs/dbraw/zinc/13/55/50/586135550.db2.gz LCOGSKUGMRTAEV-UHFFFAOYSA-N 0 3 231.339 3.026 20 0 BGADHN Cc1ccccc1OCCN1CCC=C(C)C1 ZINC000797999085 586135476 /nfs/dbraw/zinc/13/54/76/586135476.db2.gz PKSYOFLQZSXXOY-UHFFFAOYSA-N 0 3 231.339 3.026 20 0 BGADHN CC[C@@H](NCCF)c1ccc2c(c1)CCCO2 ZINC000798000173 586135423 /nfs/dbraw/zinc/13/54/23/586135423.db2.gz LUZYEKKMKBTALW-CYBMUJFWSA-N 0 3 237.318 3.022 20 0 BGADHN CC[C@H](NCCF)c1ccc2c(c1)CCCO2 ZINC000798000177 586135510 /nfs/dbraw/zinc/13/55/10/586135510.db2.gz LUZYEKKMKBTALW-ZDUSSCGKSA-N 0 3 237.318 3.022 20 0 BGADHN FCCNCc1ccccc1-c1ccccc1 ZINC000798087274 586136679 /nfs/dbraw/zinc/13/66/79/586136679.db2.gz URKJZXVKOQCGHK-UHFFFAOYSA-N 0 3 229.298 3.413 20 0 BGADHN Cc1cc(CN2CCC=C(C)C2)c(C)o1 ZINC000798090618 586136612 /nfs/dbraw/zinc/13/66/12/586136612.db2.gz TZBFQLDRODNTIB-UHFFFAOYSA-N 0 3 205.301 3.048 20 0 BGADHN c1csc(CN2CC[C@@H](c3ccccn3)C2)c1 ZINC000798963124 586154372 /nfs/dbraw/zinc/15/43/72/586154372.db2.gz XRFDBZCZOOZZJU-GFCCVEGCSA-N 0 3 244.363 3.133 20 0 BGADHN c1csc(CN2CC[C@H](c3ccccn3)C2)c1 ZINC000798963125 586154415 /nfs/dbraw/zinc/15/44/15/586154415.db2.gz XRFDBZCZOOZZJU-LBPRGKRZSA-N 0 3 244.363 3.133 20 0 BGADHN CSCCCN(C)Cc1cc(C)oc1C ZINC000798963246 586154573 /nfs/dbraw/zinc/15/45/73/586154573.db2.gz BCSZYZGRKWQIDQ-UHFFFAOYSA-N 0 3 227.373 3.081 20 0 BGADHN c1cc(CN2CC[C@@H](c3ccccn3)C2)cs1 ZINC000798963402 586154312 /nfs/dbraw/zinc/15/43/12/586154312.db2.gz BPIQPDKNWHKRJO-CYBMUJFWSA-N 0 3 244.363 3.133 20 0 BGADHN c1cc(CN2CC[C@H](c3ccccn3)C2)cs1 ZINC000798963403 586154386 /nfs/dbraw/zinc/15/43/86/586154386.db2.gz BPIQPDKNWHKRJO-ZDUSSCGKSA-N 0 3 244.363 3.133 20 0 BGADHN Cc1noc(C)c1CN(C)C[C@H](C)CC(C)C ZINC000799111273 586157159 /nfs/dbraw/zinc/15/71/59/586157159.db2.gz QOABEWWQGULBJB-LLVKDONJSA-N 0 3 238.375 3.405 20 0 BGADHN Cc1noc(C)c1CN(C)C[C@@H](C)CC(C)C ZINC000799111275 586157005 /nfs/dbraw/zinc/15/70/05/586157005.db2.gz QOABEWWQGULBJB-NSHDSACASA-N 0 3 238.375 3.405 20 0 BGADHN CSCCCN(C)Cc1ccc(CF)cc1 ZINC000799198252 586167490 /nfs/dbraw/zinc/16/74/90/586167490.db2.gz DWUMLJRNCWWRHR-UHFFFAOYSA-N 0 3 241.375 3.341 20 0 BGADHN CCCCCCNCc1cc(C(F)(F)F)n[nH]1 ZINC000799332903 586172137 /nfs/dbraw/zinc/17/21/37/586172137.db2.gz GLPSUSGLXWMBBE-UHFFFAOYSA-N 0 3 249.280 3.098 20 0 BGADHN c1cc2cc(CCNCc3ccoc3)ccc2[nH]1 ZINC000799350470 586173801 /nfs/dbraw/zinc/17/38/01/586173801.db2.gz UGCWPXPGICLZTC-UHFFFAOYSA-N 0 3 240.306 3.093 20 0 BGADHN C[C@@H](N[C@H](C)c1cccc(O)c1)c1ccc[nH]1 ZINC000799720418 586194148 /nfs/dbraw/zinc/19/41/48/586194148.db2.gz IBAPHAHOVVEFDX-GHMZBOCLSA-N 0 3 230.311 3.132 20 0 BGADHN C[C@@H](N[C@@H](C)c1ccc[nH]1)c1cccc(O)c1 ZINC000799720419 586193981 /nfs/dbraw/zinc/19/39/81/586193981.db2.gz IBAPHAHOVVEFDX-MNOVXSKESA-N 0 3 230.311 3.132 20 0 BGADHN C[C@H](N[C@@H](C)c1cccc(O)c1)c1ccc[nH]1 ZINC000799720421 586194165 /nfs/dbraw/zinc/19/41/65/586194165.db2.gz IBAPHAHOVVEFDX-QWRGUYRKSA-N 0 3 230.311 3.132 20 0 BGADHN C[C@@H](N[C@@H](C)c1cccc(O)c1)c1ccc[nH]1 ZINC000799720423 586194327 /nfs/dbraw/zinc/19/43/27/586194327.db2.gz IBAPHAHOVVEFDX-WDEREUQCSA-N 0 3 230.311 3.132 20 0 BGADHN CN(C)CCSCCSC1CCCCC1 ZINC000799889180 586201943 /nfs/dbraw/zinc/20/19/43/586201943.db2.gz URQOAHZTRWVGOH-UHFFFAOYSA-N 0 3 247.473 3.347 20 0 BGADHN Cc1cccc(F)c1CN[C@H](C)COC(C)C ZINC000800242664 586206073 /nfs/dbraw/zinc/20/60/73/586206073.db2.gz HLBOHLDUMXTXIV-GFCCVEGCSA-N 0 3 239.334 3.037 20 0 BGADHN Cc1cccc(F)c1CN[C@@H](C)COC(C)C ZINC000800242666 586205978 /nfs/dbraw/zinc/20/59/78/586205978.db2.gz HLBOHLDUMXTXIV-LBPRGKRZSA-N 0 3 239.334 3.037 20 0 BGADHN c1cc2c(cccc2CCNCc2ccoc2)[nH]1 ZINC000800295731 586209824 /nfs/dbraw/zinc/20/98/24/586209824.db2.gz HGCZAIFCKYSVDY-UHFFFAOYSA-N 0 3 240.306 3.093 20 0 BGADHN CC(C)COCCN1Cc2ccccc2[C@@H](C)C1 ZINC000800329680 586212453 /nfs/dbraw/zinc/21/24/53/586212453.db2.gz NAANODBPGLDKRM-AWEZNQCLSA-N 0 3 247.382 3.278 20 0 BGADHN CC(C)COCCN1Cc2ccccc2[C@H](C)C1 ZINC000800329681 586212502 /nfs/dbraw/zinc/21/25/02/586212502.db2.gz NAANODBPGLDKRM-CQSZACIVSA-N 0 3 247.382 3.278 20 0 BGADHN Cc1cccc2c1CCN(CCOCC(C)C)C2 ZINC000800338581 586212980 /nfs/dbraw/zinc/21/29/80/586212980.db2.gz QLZDNXHVJQKLPD-UHFFFAOYSA-N 0 3 247.382 3.026 20 0 BGADHN CCCCC[C@H](C)N[C@@H](C)c1cc(C)n(C)n1 ZINC000800472569 644835246 /nfs/dbraw/zinc/83/52/46/644835246.db2.gz UMLVVHMOZDAQTE-AAEUAGOBSA-N 0 3 237.391 3.348 20 0 BGADHN CCCCC[C@@H](C)N[C@H](C)c1cc(C)n(C)n1 ZINC000800472570 644835126 /nfs/dbraw/zinc/83/51/26/644835126.db2.gz UMLVVHMOZDAQTE-DGCLKSJQSA-N 0 3 237.391 3.348 20 0 BGADHN CCCCC[C@H](C)N[C@H](C)c1cc(C)n(C)n1 ZINC000800472571 644834440 /nfs/dbraw/zinc/83/44/40/644834440.db2.gz UMLVVHMOZDAQTE-WCQYABFASA-N 0 3 237.391 3.348 20 0 BGADHN CCCCC[C@@H](C)N[C@@H](C)c1cc(C)n(C)n1 ZINC000800472572 644834254 /nfs/dbraw/zinc/83/42/54/644834254.db2.gz UMLVVHMOZDAQTE-YPMHNXCESA-N 0 3 237.391 3.348 20 0 BGADHN Cc1cc([C@@H](C)NC[C@H](C)C(C)(C)C)nn1C ZINC000800478509 586222241 /nfs/dbraw/zinc/22/22/41/586222241.db2.gz JNFVECSOJUWZLN-CMPLNLGQSA-N 0 3 237.391 3.061 20 0 BGADHN Cc1cc([C@H](C)NC[C@H](C)C(C)(C)C)nn1C ZINC000800478510 586221853 /nfs/dbraw/zinc/22/18/53/586221853.db2.gz JNFVECSOJUWZLN-JQWIXIFHSA-N 0 3 237.391 3.061 20 0 BGADHN Cc1cc([C@H](C)NC[C@@H](C)C(C)(C)C)nn1C ZINC000800478511 586222297 /nfs/dbraw/zinc/22/22/97/586222297.db2.gz JNFVECSOJUWZLN-PWSUYJOCSA-N 0 3 237.391 3.061 20 0 BGADHN Cc1cc([C@@H](C)NC[C@@H](C)C(C)(C)C)nn1C ZINC000800478512 586222162 /nfs/dbraw/zinc/22/21/62/586222162.db2.gz JNFVECSOJUWZLN-ZYHUDNBSSA-N 0 3 237.391 3.061 20 0 BGADHN Cc1cc([C@@H](C)NCCOC2CCC2)oc1C ZINC000800486815 586222937 /nfs/dbraw/zinc/22/29/37/586222937.db2.gz QRSWKQHVMPOEEN-LLVKDONJSA-N 0 3 237.343 3.116 20 0 BGADHN Cc1cc([C@H](C)NCCOC2CCC2)oc1C ZINC000800486816 586222990 /nfs/dbraw/zinc/22/29/90/586222990.db2.gz QRSWKQHVMPOEEN-NSHDSACASA-N 0 3 237.343 3.116 20 0 BGADHN Cc1cc([C@H](C)NC[C@@H]2CCC=CO2)oc1C ZINC000800491223 586223391 /nfs/dbraw/zinc/22/33/91/586223391.db2.gz UUGMTAQHDDRENU-AAEUAGOBSA-N 0 3 235.327 3.240 20 0 BGADHN Cc1cc([C@@H](C)NC[C@H]2CCC=CO2)oc1C ZINC000800491225 586223383 /nfs/dbraw/zinc/22/33/83/586223383.db2.gz UUGMTAQHDDRENU-DGCLKSJQSA-N 0 3 235.327 3.240 20 0 BGADHN Cc1cc([C@H](C)NC[C@H]2CCC=CO2)oc1C ZINC000800491226 586223447 /nfs/dbraw/zinc/22/34/47/586223447.db2.gz UUGMTAQHDDRENU-WCQYABFASA-N 0 3 235.327 3.240 20 0 BGADHN Cc1cc([C@@H](C)NC[C@@H]2CCC=CO2)oc1C ZINC000800491228 586223536 /nfs/dbraw/zinc/22/35/36/586223536.db2.gz UUGMTAQHDDRENU-YPMHNXCESA-N 0 3 235.327 3.240 20 0 BGADHN Cc1cccc2c1CCN(CCSC(C)C)C2 ZINC000801516236 586260539 /nfs/dbraw/zinc/26/05/39/586260539.db2.gz XWKWBVIIBZQVLD-UHFFFAOYSA-N 0 3 249.423 3.495 20 0 BGADHN FCCN1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000801601873 586266031 /nfs/dbraw/zinc/26/60/31/586266031.db2.gz QIVKCYXZMXXBRJ-QDMKHBRRSA-N 0 3 233.330 3.367 20 0 BGADHN CC[C@H]1CO[C@H](C)CN1CCSC(C)(C)C ZINC000801914472 586276920 /nfs/dbraw/zinc/27/69/20/586276920.db2.gz IHKOTTYZBICFGQ-NEPJUHHUSA-N 0 3 245.432 3.017 20 0 BGADHN CC[C@@H]1CO[C@@H](C)CN1CCSC(C)(C)C ZINC000801914473 586276661 /nfs/dbraw/zinc/27/66/61/586276661.db2.gz IHKOTTYZBICFGQ-NWDGAFQWSA-N 0 3 245.432 3.017 20 0 BGADHN CC[C@H]1CO[C@@H](C)CN1CCSC(C)(C)C ZINC000801914474 586276576 /nfs/dbraw/zinc/27/65/76/586276576.db2.gz IHKOTTYZBICFGQ-RYUDHWBXSA-N 0 3 245.432 3.017 20 0 BGADHN CC[C@@H]1CO[C@H](C)CN1CCSC(C)(C)C ZINC000801914475 586276519 /nfs/dbraw/zinc/27/65/19/586276519.db2.gz IHKOTTYZBICFGQ-VXGBXAGGSA-N 0 3 245.432 3.017 20 0 BGADHN CN(CCSC(C)(C)C)C[C@H]1CCCCO1 ZINC000801916243 586276224 /nfs/dbraw/zinc/27/62/24/586276224.db2.gz SRBSAPBDOLTWLJ-GFCCVEGCSA-N 0 3 245.432 3.019 20 0 BGADHN CN(CCSC(C)(C)C)C[C@@H]1CCCCO1 ZINC000801916244 586276829 /nfs/dbraw/zinc/27/68/29/586276829.db2.gz SRBSAPBDOLTWLJ-LBPRGKRZSA-N 0 3 245.432 3.019 20 0 BGADHN C[C@@H]1CN(CCSC(C)(C)C)CC(C)(C)O1 ZINC000801916247 586277011 /nfs/dbraw/zinc/27/70/11/586277011.db2.gz SUMUISFORAYKRA-LLVKDONJSA-N 0 3 245.432 3.017 20 0 BGADHN C[C@H]1CN(CCSC(C)(C)C)CC(C)(C)O1 ZINC000801916248 586276865 /nfs/dbraw/zinc/27/68/65/586276865.db2.gz SUMUISFORAYKRA-NSHDSACASA-N 0 3 245.432 3.017 20 0 BGADHN CCN(CCSC(C)(C)C)C[C@H]1CCCO1 ZINC000801916516 586276984 /nfs/dbraw/zinc/27/69/84/586276984.db2.gz ZUCKTVCYAJPRRJ-GFCCVEGCSA-N 0 3 245.432 3.019 20 0 BGADHN CCN(CCSC(C)(C)C)C[C@@H]1CCCO1 ZINC000801916517 586276835 /nfs/dbraw/zinc/27/68/35/586276835.db2.gz ZUCKTVCYAJPRRJ-LBPRGKRZSA-N 0 3 245.432 3.019 20 0 BGADHN CC[C@H]1CN(CCSC(C)(C)C)C[C@@H](C)O1 ZINC000801919986 586277999 /nfs/dbraw/zinc/27/79/99/586277999.db2.gz KYZLKTKPYVEPBP-NEPJUHHUSA-N 0 3 245.432 3.017 20 0 BGADHN CC[C@@H]1CN(CCSC(C)(C)C)C[C@H](C)O1 ZINC000801919987 586277113 /nfs/dbraw/zinc/27/71/13/586277113.db2.gz KYZLKTKPYVEPBP-NWDGAFQWSA-N 0 3 245.432 3.017 20 0 BGADHN CC[C@H]1CN(CCSC(C)(C)C)C[C@H](C)O1 ZINC000801919989 586277183 /nfs/dbraw/zinc/27/71/83/586277183.db2.gz KYZLKTKPYVEPBP-RYUDHWBXSA-N 0 3 245.432 3.017 20 0 BGADHN CC[C@@H]1CN(CCSC(C)(C)C)C[C@@H](C)O1 ZINC000801919991 586277740 /nfs/dbraw/zinc/27/77/40/586277740.db2.gz KYZLKTKPYVEPBP-VXGBXAGGSA-N 0 3 245.432 3.017 20 0 BGADHN C[C@H]1N(CCSC(C)(C)C)CCOC1(C)C ZINC000801929515 586278227 /nfs/dbraw/zinc/27/82/27/586278227.db2.gz VLLDUYCVNGYKIF-LLVKDONJSA-N 0 3 245.432 3.017 20 0 BGADHN C[C@@H]1N(CCSC(C)(C)C)CCOC1(C)C ZINC000801929516 586278962 /nfs/dbraw/zinc/27/89/62/586278962.db2.gz VLLDUYCVNGYKIF-NSHDSACASA-N 0 3 245.432 3.017 20 0 BGADHN CC[C@]1(C)COCCN1CCSC(C)(C)C ZINC000801935529 586279302 /nfs/dbraw/zinc/27/93/02/586279302.db2.gz GSDXDUCLUGTCIO-CYBMUJFWSA-N 0 3 245.432 3.019 20 0 BGADHN CC[C@@]1(C)COCCN1CCSC(C)(C)C ZINC000801935530 586279728 /nfs/dbraw/zinc/27/97/28/586279728.db2.gz GSDXDUCLUGTCIO-ZDUSSCGKSA-N 0 3 245.432 3.019 20 0 BGADHN C[C@@H]1CCN(CCSC(C)(C)C)C[C@H]1F ZINC000801939192 586281029 /nfs/dbraw/zinc/28/10/29/586281029.db2.gz NMJZDVAWGIQPIZ-GHMZBOCLSA-N 0 3 233.396 3.198 20 0 BGADHN C[C@@H]1CCN(CCSC(C)(C)C)C[C@@H]1F ZINC000801939195 586280808 /nfs/dbraw/zinc/28/08/08/586280808.db2.gz NMJZDVAWGIQPIZ-MNOVXSKESA-N 0 3 233.396 3.198 20 0 BGADHN C[C@H]1CCN(CCSC(C)(C)C)C[C@@H]1F ZINC000801939196 586277263 /nfs/dbraw/zinc/27/72/63/586277263.db2.gz NMJZDVAWGIQPIZ-QWRGUYRKSA-N 0 3 233.396 3.198 20 0 BGADHN C[C@H]1CCN(CCSC(C)(C)C)C[C@H]1F ZINC000801939202 586277338 /nfs/dbraw/zinc/27/73/38/586277338.db2.gz NMJZDVAWGIQPIZ-WDEREUQCSA-N 0 3 233.396 3.198 20 0 BGADHN CC[C@]1(C)CN(CCSC(C)(C)C)CCO1 ZINC000801946770 586281599 /nfs/dbraw/zinc/28/15/99/586281599.db2.gz OHMULRVOSUAFTQ-CYBMUJFWSA-N 0 3 245.432 3.019 20 0 BGADHN CC[C@@]1(C)CN(CCSC(C)(C)C)CCO1 ZINC000801946772 586281448 /nfs/dbraw/zinc/28/14/48/586281448.db2.gz OHMULRVOSUAFTQ-ZDUSSCGKSA-N 0 3 245.432 3.019 20 0 BGADHN C[C@@H]1CN(CCSC(C)(C)C)[C@@H](C)[C@@H](C)O1 ZINC000801947454 586282116 /nfs/dbraw/zinc/28/21/16/586282116.db2.gz VTXQTKRNEMTLDK-GRYCIOLGSA-N 0 3 245.432 3.016 20 0 BGADHN C[C@@H]1CN(CCSC(C)(C)C)[C@H](C)[C@@H](C)O1 ZINC000801947455 586282558 /nfs/dbraw/zinc/28/25/58/586282558.db2.gz VTXQTKRNEMTLDK-IJLUTSLNSA-N 0 3 245.432 3.016 20 0 BGADHN C[C@@H]1CN(CCSC(C)(C)C)[C@H](C)[C@H](C)O1 ZINC000801947456 586282804 /nfs/dbraw/zinc/28/28/04/586282804.db2.gz VTXQTKRNEMTLDK-UTUOFQBUSA-N 0 3 245.432 3.016 20 0 BGADHN C[C@@H]1CN(CCSC(C)(C)C)[C@@H](C)[C@H](C)O1 ZINC000801947457 586282933 /nfs/dbraw/zinc/28/29/33/586282933.db2.gz VTXQTKRNEMTLDK-WOPDTQHZSA-N 0 3 245.432 3.016 20 0 BGADHN C[C@H]1COC(C)(C)CN1CCSC(C)(C)C ZINC000801950656 586282296 /nfs/dbraw/zinc/28/22/96/586282296.db2.gz YUTKSNJQWZOSSU-NSHDSACASA-N 0 3 245.432 3.017 20 0 BGADHN CC(C)(C)SCCN1CCC(F)(F)CC1 ZINC000801953944 586283676 /nfs/dbraw/zinc/28/36/76/586283676.db2.gz ZDTVXAZYMZSYLO-UHFFFAOYSA-N 0 3 237.359 3.249 20 0 BGADHN C[C@H](CN1CCC[C@H]1c1ncc[nH]1)C(C)(C)C ZINC000802649839 586308057 /nfs/dbraw/zinc/30/80/57/586308057.db2.gz RAHUHXKEPCYZPG-NEPJUHHUSA-N 0 3 235.375 3.229 20 0 BGADHN C[C@@H](CN1CCC[C@@H]1c1ncc[nH]1)C(C)(C)C ZINC000802649840 586307508 /nfs/dbraw/zinc/30/75/08/586307508.db2.gz RAHUHXKEPCYZPG-NWDGAFQWSA-N 0 3 235.375 3.229 20 0 BGADHN C[C@@H](CN1CCC[C@H]1c1ncc[nH]1)C(C)(C)C ZINC000802649841 586307988 /nfs/dbraw/zinc/30/79/88/586307988.db2.gz RAHUHXKEPCYZPG-RYUDHWBXSA-N 0 3 235.375 3.229 20 0 BGADHN C[C@H](CN1CCC[C@@H]1c1ncc[nH]1)C(C)(C)C ZINC000802649842 586307594 /nfs/dbraw/zinc/30/75/94/586307594.db2.gz RAHUHXKEPCYZPG-VXGBXAGGSA-N 0 3 235.375 3.229 20 0 BGADHN CC1CN(Cc2ccccc2N2CCCCC2)C1 ZINC000802651062 586307948 /nfs/dbraw/zinc/30/79/48/586307948.db2.gz HXASOIZBMMYAOL-UHFFFAOYSA-N 0 3 244.382 3.129 20 0 BGADHN C[C@@H]1CN(CCOC2CCC2)Cc2ccccc21 ZINC000805732659 585824476 /nfs/dbraw/zinc/82/44/76/585824476.db2.gz MIFJDWCILVDLAE-CYBMUJFWSA-N 0 3 245.366 3.175 20 0 BGADHN C[C@H]1CN(CCOC2CCC2)Cc2ccccc21 ZINC000805732660 585824383 /nfs/dbraw/zinc/82/43/83/585824383.db2.gz MIFJDWCILVDLAE-ZDUSSCGKSA-N 0 3 245.366 3.175 20 0 BGADHN CC[C@@H](c1ccccc1OC)N(C)CCC(C)=O ZINC000805835765 585909253 /nfs/dbraw/zinc/90/92/53/585909253.db2.gz SKOGKMJIWLVLFU-AWEZNQCLSA-N 0 3 249.354 3.057 20 0 BGADHN CC[C@H](c1ccccc1OC)N(C)CCC(C)=O ZINC000805835766 585909264 /nfs/dbraw/zinc/90/92/64/585909264.db2.gz SKOGKMJIWLVLFU-CQSZACIVSA-N 0 3 249.354 3.057 20 0 BGADHN CN(C/C=C/Cl)C1CCC(F)(F)CC1 ZINC000805839728 585909768 /nfs/dbraw/zinc/90/97/68/585909768.db2.gz MLJFKGMBNIMGNB-FARCUNLSSA-N 0 3 223.694 3.249 20 0 BGADHN CN(C/C=C\Cl)C1CCC(F)(F)CC1 ZINC000805839729 585909844 /nfs/dbraw/zinc/90/98/44/585909844.db2.gz MLJFKGMBNIMGNB-UQCOIBPSSA-N 0 3 223.694 3.249 20 0 BGADHN C[C@@H]1C[C@H](C(C)(C)C)CCN1CCF ZINC000805840249 585909996 /nfs/dbraw/zinc/90/99/96/585909996.db2.gz ZOKLAPWZBKPKIN-GHMZBOCLSA-N 0 3 201.329 3.103 20 0 BGADHN C[C@@H]1C[C@@H](C(C)(C)C)CCN1CCF ZINC000805840250 585910147 /nfs/dbraw/zinc/91/01/47/585910147.db2.gz ZOKLAPWZBKPKIN-MNOVXSKESA-N 0 3 201.329 3.103 20 0 BGADHN C[C@H]1C[C@@H](C(C)(C)C)CCN1CCF ZINC000805840251 585910211 /nfs/dbraw/zinc/91/02/11/585910211.db2.gz ZOKLAPWZBKPKIN-QWRGUYRKSA-N 0 3 201.329 3.103 20 0 BGADHN C[C@H]1C[C@H](C(C)(C)C)CCN1CCF ZINC000805840252 585910405 /nfs/dbraw/zinc/91/04/05/585910405.db2.gz ZOKLAPWZBKPKIN-WDEREUQCSA-N 0 3 201.329 3.103 20 0 BGADHN CC(C)c1cc(CN[C@@H]2CC[C@@H]2C2CC2)on1 ZINC000806138843 586405279 /nfs/dbraw/zinc/40/52/79/586405279.db2.gz CTPMUJKMJBSUSB-CHWSQXEVSA-N 0 3 234.343 3.076 20 0 BGADHN CC(C)c1cc(CN[C@H]2CC[C@@H]2C2CC2)on1 ZINC000806138844 586405417 /nfs/dbraw/zinc/40/54/17/586405417.db2.gz CTPMUJKMJBSUSB-OLZOCXBDSA-N 0 3 234.343 3.076 20 0 BGADHN CC(C)c1cc(CN[C@@H]2CC[C@H]2C2CC2)on1 ZINC000806138845 586405659 /nfs/dbraw/zinc/40/56/59/586405659.db2.gz CTPMUJKMJBSUSB-QWHCGFSZSA-N 0 3 234.343 3.076 20 0 BGADHN CC(C)c1cc(CN[C@H]2CC[C@H]2C2CC2)on1 ZINC000806138846 586405080 /nfs/dbraw/zinc/40/50/80/586405080.db2.gz CTPMUJKMJBSUSB-STQMWFEESA-N 0 3 234.343 3.076 20 0 BGADHN Cc1noc(C)c1[C@H](C)N[C@@H]1CC[C@H]1C1CC1 ZINC000806139182 586405602 /nfs/dbraw/zinc/40/56/02/586405602.db2.gz KWTXANXWHURRQQ-AQUOVQTQSA-N 0 3 234.343 3.131 20 0 BGADHN Cc1noc(C)c1[C@H](C)N[C@H]1CC[C@@H]1C1CC1 ZINC000806139183 586405683 /nfs/dbraw/zinc/40/56/83/586405683.db2.gz KWTXANXWHURRQQ-CKLFPEKLSA-N 0 3 234.343 3.131 20 0 BGADHN Cc1noc(C)c1[C@H](C)N[C@H]1CC[C@H]1C1CC1 ZINC000806139184 586405619 /nfs/dbraw/zinc/40/56/19/586405619.db2.gz KWTXANXWHURRQQ-HJIKLVIJSA-N 0 3 234.343 3.131 20 0 BGADHN Cc1noc(C)c1[C@H](C)N[C@@H]1CC[C@@H]1C1CC1 ZINC000806139185 586405441 /nfs/dbraw/zinc/40/54/41/586405441.db2.gz KWTXANXWHURRQQ-ZEGGKSINSA-N 0 3 234.343 3.131 20 0 BGADHN Cc1cccc(F)c1CN[C@H]1CC[C@@H]1C1CC1 ZINC000806141667 585343702 /nfs/dbraw/zinc/34/37/02/585343702.db2.gz KSUIXCLMFAABFI-DOMZBBRYSA-N 0 3 233.330 3.412 20 0 BGADHN Cc1cccc(F)c1CN[C@@H]1CC[C@@H]1C1CC1 ZINC000806141668 585343595 /nfs/dbraw/zinc/34/35/95/585343595.db2.gz KSUIXCLMFAABFI-IUODEOHRSA-N 0 3 233.330 3.412 20 0 BGADHN Cc1cccc(F)c1CN[C@@H]1CC[C@H]1C1CC1 ZINC000806141669 585343785 /nfs/dbraw/zinc/34/37/85/585343785.db2.gz KSUIXCLMFAABFI-SWLSCSKDSA-N 0 3 233.330 3.412 20 0 BGADHN Cc1cccc(F)c1CN[C@H]1CC[C@H]1C1CC1 ZINC000806141670 585343810 /nfs/dbraw/zinc/34/38/10/585343810.db2.gz KSUIXCLMFAABFI-WFASDCNBSA-N 0 3 233.330 3.412 20 0 BGADHN CC(C)(C)[C@@H]1CC[C@@H]1NCc1cccc(F)n1 ZINC000806148820 586405162 /nfs/dbraw/zinc/40/51/62/586405162.db2.gz KUHFNHXXYRYTJH-NEPJUHHUSA-N 0 3 236.334 3.135 20 0 BGADHN CC(C)(C)[C@H]1CC[C@H]1NCc1cccc(F)n1 ZINC000806148821 586405069 /nfs/dbraw/zinc/40/50/69/586405069.db2.gz KUHFNHXXYRYTJH-NWDGAFQWSA-N 0 3 236.334 3.135 20 0 BGADHN CC(C)(C)[C@H]1CC[C@@H]1NCc1cccc(F)n1 ZINC000806148822 586405552 /nfs/dbraw/zinc/40/55/52/586405552.db2.gz KUHFNHXXYRYTJH-RYUDHWBXSA-N 0 3 236.334 3.135 20 0 BGADHN CC(C)(C)[C@@H]1CC[C@H]1NCc1cccc(F)n1 ZINC000806148823 586405631 /nfs/dbraw/zinc/40/56/31/586405631.db2.gz KUHFNHXXYRYTJH-VXGBXAGGSA-N 0 3 236.334 3.135 20 0 BGADHN CC(C)(C)[C@@H]1CC[C@@H]1NCc1cccnc1F ZINC000806164019 586406711 /nfs/dbraw/zinc/40/67/11/586406711.db2.gz YAISQXJKNQHDMT-NEPJUHHUSA-N 0 3 236.334 3.135 20 0 BGADHN CC(C)(C)[C@H]1CC[C@H]1NCc1cccnc1F ZINC000806164045 586407116 /nfs/dbraw/zinc/40/71/16/586407116.db2.gz YAISQXJKNQHDMT-NWDGAFQWSA-N 0 3 236.334 3.135 20 0 BGADHN CC(C)(C)[C@H]1CC[C@@H]1NCc1cccnc1F ZINC000806164046 586406951 /nfs/dbraw/zinc/40/69/51/586406951.db2.gz YAISQXJKNQHDMT-RYUDHWBXSA-N 0 3 236.334 3.135 20 0 BGADHN CC(C)(C)[C@@H]1CC[C@H]1NCc1cccnc1F ZINC000806164047 586406910 /nfs/dbraw/zinc/40/69/10/586406910.db2.gz YAISQXJKNQHDMT-VXGBXAGGSA-N 0 3 236.334 3.135 20 0 BGADHN CCc1noc(C)c1[C@@H](C)N[C@@H]1CCC1(C)C ZINC000806169070 586406568 /nfs/dbraw/zinc/40/65/68/586406568.db2.gz HXOMSDLWQVZJEM-BXKDBHETSA-N 0 3 236.359 3.385 20 0 BGADHN CCc1noc(C)c1[C@H](C)N[C@H]1CCC1(C)C ZINC000806169071 586407180 /nfs/dbraw/zinc/40/71/80/586407180.db2.gz HXOMSDLWQVZJEM-CABZTGNLSA-N 0 3 236.359 3.385 20 0 BGADHN CCc1noc(C)c1[C@H](C)N[C@@H]1CCC1(C)C ZINC000806169074 586406640 /nfs/dbraw/zinc/40/66/40/586406640.db2.gz HXOMSDLWQVZJEM-JOYOIKCWSA-N 0 3 236.359 3.385 20 0 BGADHN CCc1noc(C)c1[C@@H](C)N[C@H]1CCC1(C)C ZINC000806169076 586407092 /nfs/dbraw/zinc/40/70/92/586407092.db2.gz HXOMSDLWQVZJEM-SKDRFNHKSA-N 0 3 236.359 3.385 20 0 BGADHN CCCCN[C@H](C)c1nccn1-c1ccccc1 ZINC000806611000 644853249 /nfs/dbraw/zinc/85/32/49/644853249.db2.gz GSJPJYQTWQNACB-CYBMUJFWSA-N 0 3 243.354 3.323 20 0 BGADHN CCCCN[C@@H](C)c1nccn1-c1ccccc1 ZINC000806611001 644854108 /nfs/dbraw/zinc/85/41/08/644854108.db2.gz GSJPJYQTWQNACB-ZDUSSCGKSA-N 0 3 243.354 3.323 20 0 BGADHN CCCCC1CCC(NCc2cn(C)cn2)CC1 ZINC000808383275 586470623 /nfs/dbraw/zinc/47/06/23/586470623.db2.gz ZKDWYDLVXRSZHN-UHFFFAOYSA-N 0 3 249.402 3.259 20 0 BGADHN Cn1cnc(CNC2CCC(C(C)(C)C)CC2)c1 ZINC000808385124 586469975 /nfs/dbraw/zinc/46/99/75/586469975.db2.gz NIJUEGFECQXZCB-UHFFFAOYSA-N 0 3 249.402 3.115 20 0 BGADHN C[C@H](CCC1CCCCC1)NCc1cn(C)cn1 ZINC000808389600 586470142 /nfs/dbraw/zinc/47/01/42/586470142.db2.gz SLCFDSDHCQOCGM-CYBMUJFWSA-N 0 3 249.402 3.259 20 0 BGADHN C[C@@H](CCC1CCCCC1)NCc1cn(C)cn1 ZINC000808389601 586470337 /nfs/dbraw/zinc/47/03/37/586470337.db2.gz SLCFDSDHCQOCGM-ZDUSSCGKSA-N 0 3 249.402 3.259 20 0 BGADHN CC(C)CCCCNCc1cccnc1N(C)C ZINC000808392191 586470971 /nfs/dbraw/zinc/47/09/71/586470971.db2.gz XIPOWKKCTCFQSJ-UHFFFAOYSA-N 0 3 249.402 3.064 20 0 BGADHN CCCC[C@@H](CCC)CNCc1cn(C)cn1 ZINC000808394186 586471007 /nfs/dbraw/zinc/47/10/07/586471007.db2.gz JCCGPMHWGQLNGO-CYBMUJFWSA-N 0 3 237.391 3.116 20 0 BGADHN CCCC[C@H](CCC)CNCc1cn(C)cn1 ZINC000808394187 586471330 /nfs/dbraw/zinc/47/13/30/586471330.db2.gz JCCGPMHWGQLNGO-ZDUSSCGKSA-N 0 3 237.391 3.116 20 0 BGADHN CC(C)[C@H]1CCC[C@H](NCc2cn(C)cn2)CC1 ZINC000808405408 586471881 /nfs/dbraw/zinc/47/18/81/586471881.db2.gz FNOHZZXEURKYHY-KBPBESRZSA-N 0 3 249.402 3.115 20 0 BGADHN CC(C)[C@@H]1CCC[C@H](NCc2cn(C)cn2)CC1 ZINC000808405409 586471586 /nfs/dbraw/zinc/47/15/86/586471586.db2.gz FNOHZZXEURKYHY-KGLIPLIRSA-N 0 3 249.402 3.115 20 0 BGADHN CC(C)[C@H]1CCC[C@@H](NCc2cn(C)cn2)CC1 ZINC000808405410 586471552 /nfs/dbraw/zinc/47/15/52/586471552.db2.gz FNOHZZXEURKYHY-UONOGXRCSA-N 0 3 249.402 3.115 20 0 BGADHN CC(C)[C@@H]1CCC[C@@H](NCc2cn(C)cn2)CC1 ZINC000808405412 586471888 /nfs/dbraw/zinc/47/18/88/586471888.db2.gz FNOHZZXEURKYHY-ZIAGYGMSSA-N 0 3 249.402 3.115 20 0 BGADHN Cn1cnc(CNCC(C)(C)C2=CCCCC2)c1 ZINC000808407236 586471808 /nfs/dbraw/zinc/47/18/08/586471808.db2.gz VSDXCQSRKHTJPB-UHFFFAOYSA-N 0 3 247.386 3.036 20 0 BGADHN CCC1(CC)CCC(NCc2cn(C)cn2)CC1 ZINC000808407741 586471826 /nfs/dbraw/zinc/47/18/26/586471826.db2.gz AWQVELBZORDHTQ-UHFFFAOYSA-N 0 3 249.402 3.259 20 0 BGADHN CCOCC(C)(C)CNCc1cc(C)oc1C ZINC000808450995 586472994 /nfs/dbraw/zinc/47/29/94/586472994.db2.gz YQHKOVFJGHGAPW-UHFFFAOYSA-N 0 3 239.359 3.049 20 0 BGADHN Cc1ccccc1CN(C)CCC(=O)C(C)C ZINC000808705285 586483517 /nfs/dbraw/zinc/48/35/17/586483517.db2.gz DDFNWAZZBDAZHS-UHFFFAOYSA-N 0 3 233.355 3.042 20 0 BGADHN CCN(CCC(=O)C(C)C)Cc1ccccc1 ZINC000808705377 586483029 /nfs/dbraw/zinc/48/30/29/586483029.db2.gz FSISDFGBEFEXSZ-UHFFFAOYSA-N 0 3 233.355 3.124 20 0 BGADHN CCN(CCC(=O)C(C)C)Cc1ccccc1C ZINC000808706246 586483482 /nfs/dbraw/zinc/48/34/82/586483482.db2.gz FSOBORMOHPZKJP-UHFFFAOYSA-N 0 3 247.382 3.432 20 0 BGADHN Cc1ccc(CN(C)CCC(=O)C(C)C)cc1 ZINC000808706728 586483271 /nfs/dbraw/zinc/48/32/71/586483271.db2.gz RYGJGBVVUOTRMC-UHFFFAOYSA-N 0 3 233.355 3.042 20 0 BGADHN CC(C)C(=O)CCN(C)[C@H](C)c1ccccc1 ZINC000808706754 586483131 /nfs/dbraw/zinc/48/31/31/586483131.db2.gz TYDCKGLUPTXRNY-CYBMUJFWSA-N 0 3 233.355 3.295 20 0 BGADHN CC(C)C(=O)CCN(C)[C@@H](C)c1ccccc1 ZINC000808706755 586483333 /nfs/dbraw/zinc/48/33/33/586483333.db2.gz TYDCKGLUPTXRNY-ZDUSSCGKSA-N 0 3 233.355 3.295 20 0 BGADHN CCc1ccc(CN(C)CCC(=O)C(C)C)cc1 ZINC000808707043 586483204 /nfs/dbraw/zinc/48/32/04/586483204.db2.gz ZDZWNHVIWWCTEZ-UHFFFAOYSA-N 0 3 247.382 3.296 20 0 BGADHN CC(C)C(=O)CCN(Cc1ccccc1)C1CC1 ZINC000808707249 586483193 /nfs/dbraw/zinc/48/31/93/586483193.db2.gz JDXUZOKTIXCDEM-UHFFFAOYSA-N 0 3 245.366 3.266 20 0 BGADHN CC(C)C(=O)CCN1Cc2ccccc2[C@H](C)C1 ZINC000808707908 586483468 /nfs/dbraw/zinc/48/34/68/586483468.db2.gz CHVFFVBCYYQAJV-CYBMUJFWSA-N 0 3 245.366 3.221 20 0 BGADHN CC(C)C(=O)CCN1Cc2ccccc2[C@@H](C)C1 ZINC000808707909 586483199 /nfs/dbraw/zinc/48/31/99/586483199.db2.gz CHVFFVBCYYQAJV-ZDUSSCGKSA-N 0 3 245.366 3.221 20 0 BGADHN CC(C)C(=O)CCN(C)CCCc1ccccc1 ZINC000808709766 586483228 /nfs/dbraw/zinc/48/32/28/586483228.db2.gz VXYWDZOVYYJJBK-UHFFFAOYSA-N 0 3 247.382 3.166 20 0 BGADHN COc1cncc(CN([C@H](C)C(C)C)C2CC2)c1 ZINC000808710162 586483982 /nfs/dbraw/zinc/48/39/82/586483982.db2.gz ZCWLAADGQJMFDA-GFCCVEGCSA-N 0 3 248.370 3.099 20 0 BGADHN COc1cncc(CN([C@@H](C)C(C)C)C2CC2)c1 ZINC000808710163 586483991 /nfs/dbraw/zinc/48/39/91/586483991.db2.gz ZCWLAADGQJMFDA-LBPRGKRZSA-N 0 3 248.370 3.099 20 0 BGADHN CC(C)C(=O)CCN(C)[C@H]1CCc2ccccc21 ZINC000808710629 586484061 /nfs/dbraw/zinc/48/40/61/586484061.db2.gz SSVMMSSELAMEPQ-HNNXBMFYSA-N 0 3 245.366 3.221 20 0 BGADHN CC(C)C(=O)CCN(C)[C@@H]1CCc2ccccc21 ZINC000808710630 586483628 /nfs/dbraw/zinc/48/36/28/586483628.db2.gz SSVMMSSELAMEPQ-OAHLLOKOSA-N 0 3 245.366 3.221 20 0 BGADHN Cc1cccc(CN(C)CCC(=O)C(C)C)c1 ZINC000808710800 586484008 /nfs/dbraw/zinc/48/40/08/586484008.db2.gz OREPTYXLTPSSMO-UHFFFAOYSA-N 0 3 233.355 3.042 20 0 BGADHN CCN(CCC(=O)C(C)C)CCc1ccccc1 ZINC000808711169 586484132 /nfs/dbraw/zinc/48/41/32/586484132.db2.gz WXKDTZXFQOJVNE-UHFFFAOYSA-N 0 3 247.382 3.166 20 0 BGADHN CCN(CCC(=O)C(C)C)Cc1ccc(C)cc1 ZINC000808713615 586484079 /nfs/dbraw/zinc/48/40/79/586484079.db2.gz OHVZHUXJJPNABW-UHFFFAOYSA-N 0 3 247.382 3.432 20 0 BGADHN CC(C)C(=O)CCN(C)C[C@H](C)c1ccccc1 ZINC000808719301 586484254 /nfs/dbraw/zinc/48/42/54/586484254.db2.gz UVOQILDQIRVKSC-AWEZNQCLSA-N 0 3 247.382 3.337 20 0 BGADHN CC(C)C(=O)CCN(C)C[C@@H](C)c1ccccc1 ZINC000808719302 586484371 /nfs/dbraw/zinc/48/43/71/586484371.db2.gz UVOQILDQIRVKSC-CQSZACIVSA-N 0 3 247.382 3.337 20 0 BGADHN C[C@H](N[C@@H](C)[C@H](O)c1ccccc1)c1ccoc1 ZINC000808722066 586484242 /nfs/dbraw/zinc/48/42/42/586484242.db2.gz YFBVLBOEWVBSIE-HUBLWGQQSA-N 0 3 245.322 3.052 20 0 BGADHN C[C@H](N[C@@H](C)[C@@H](O)c1ccccc1)c1ccoc1 ZINC000808722067 586484295 /nfs/dbraw/zinc/48/42/95/586484295.db2.gz YFBVLBOEWVBSIE-SLEUVZQESA-N 0 3 245.322 3.052 20 0 BGADHN C[C@@H](N[C@@H](C)c1ccoc1)[C@@H](O)c1ccccc1 ZINC000808722068 586484404 /nfs/dbraw/zinc/48/44/04/586484404.db2.gz YFBVLBOEWVBSIE-YWPYICTPSA-N 0 3 245.322 3.052 20 0 BGADHN C[C@@H](N[C@@H](C)c1ccoc1)[C@H](O)c1ccccc1 ZINC000808722069 586484544 /nfs/dbraw/zinc/48/45/44/586484544.db2.gz YFBVLBOEWVBSIE-ZOWXZIJZSA-N 0 3 245.322 3.052 20 0 BGADHN CC(C)C(=O)CCN1CCc2ccccc2[C@H]1C ZINC000808722927 586484585 /nfs/dbraw/zinc/48/45/85/586484585.db2.gz HNUQONNDHYUESR-CYBMUJFWSA-N 0 3 245.366 3.221 20 0 BGADHN CC(C)C(=O)CCN1CCc2ccccc2[C@@H]1C ZINC000808722929 586484492 /nfs/dbraw/zinc/48/44/92/586484492.db2.gz HNUQONNDHYUESR-ZDUSSCGKSA-N 0 3 245.366 3.221 20 0 BGADHN CC(C)C(=O)CCN1CCCc2ccccc2C1 ZINC000808724859 586484777 /nfs/dbraw/zinc/48/47/77/586484777.db2.gz SLWIFPQHEIHZHD-UHFFFAOYSA-N 0 3 245.366 3.050 20 0 BGADHN CC(C)C(=O)CCN1Cc2ccccc2C[C@H]1C ZINC000808728840 586484862 /nfs/dbraw/zinc/48/48/62/586484862.db2.gz GWVVDNGSLCLCKI-CYBMUJFWSA-N 0 3 245.366 3.048 20 0 BGADHN CC(C)C(=O)CCN1Cc2ccccc2C[C@@H]1C ZINC000808728846 586485159 /nfs/dbraw/zinc/48/51/59/586485159.db2.gz GWVVDNGSLCLCKI-ZDUSSCGKSA-N 0 3 245.366 3.048 20 0 BGADHN CC(C)C(=O)CCN1C[C@H](C)[C@H]1c1ccccc1 ZINC000808733472 586486270 /nfs/dbraw/zinc/48/62/70/586486270.db2.gz SNVQHFQRKGWRPR-BBRMVZONSA-N 0 3 245.366 3.295 20 0 BGADHN CC(C)C(=O)CCN1C[C@@H](C)[C@H]1c1ccccc1 ZINC000808733473 586485858 /nfs/dbraw/zinc/48/58/58/586485858.db2.gz SNVQHFQRKGWRPR-CJNGLKHVSA-N 0 3 245.366 3.295 20 0 BGADHN CC(C)C(=O)CCN1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000808733475 586268750 /nfs/dbraw/zinc/26/87/50/586268750.db2.gz SNVQHFQRKGWRPR-CZUORRHYSA-N 0 3 245.366 3.295 20 0 BGADHN CC(C)C(=O)CCN1C[C@H](C)[C@@H]1c1ccccc1 ZINC000808733476 586268577 /nfs/dbraw/zinc/26/85/77/586268577.db2.gz SNVQHFQRKGWRPR-XJKSGUPXSA-N 0 3 245.366 3.295 20 0 BGADHN CC(C)CC1CCN(CCC(=O)C(C)C)CC1 ZINC000808734064 586485869 /nfs/dbraw/zinc/48/58/69/586485869.db2.gz JPEYIHLGVRUIKW-UHFFFAOYSA-N 0 3 239.403 3.360 20 0 BGADHN CC(C)C(=O)CCN1CC=C(C(C)(C)C)CC1 ZINC000808742680 586486799 /nfs/dbraw/zinc/48/67/99/586486799.db2.gz YYPZSYYOJNVHHP-UHFFFAOYSA-N 0 3 237.387 3.280 20 0 BGADHN Cc1ccc(C)c(CN(C)CCC(=O)C(C)C)c1 ZINC000808754830 586488748 /nfs/dbraw/zinc/48/87/48/586488748.db2.gz SGTOGCKVJZBVII-UHFFFAOYSA-N 0 3 247.382 3.350 20 0 BGADHN Cc1cc(C)cc(CN(C)CCC(=O)C(C)C)c1 ZINC000808754951 586488978 /nfs/dbraw/zinc/48/89/78/586488978.db2.gz XWVILCDCBRTLGT-UHFFFAOYSA-N 0 3 247.382 3.350 20 0 BGADHN CC(C)CC1(C)CCN(CCF)CC1 ZINC000808779027 586489545 /nfs/dbraw/zinc/48/95/45/586489545.db2.gz NTWJTMUOKUHQFJ-UHFFFAOYSA-N 0 3 201.329 3.104 20 0 BGADHN CCC(CC)N(CC)Cc1cnc(Cl)cn1 ZINC000808782085 586489889 /nfs/dbraw/zinc/48/98/89/586489889.db2.gz FFIYESCDHWDGPF-UHFFFAOYSA-N 0 3 241.766 3.141 20 0 BGADHN CN(CCF)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000808792191 586490539 /nfs/dbraw/zinc/49/05/39/586490539.db2.gz FOFFJHSTGNEJRH-DTORHVGOSA-N 0 3 227.245 3.009 20 0 BGADHN COc1ccc(CN(CCF)C(C)(C)C)cc1 ZINC000808795447 586490180 /nfs/dbraw/zinc/49/01/80/586490180.db2.gz NNDZRKRSZBVJIS-UHFFFAOYSA-N 0 3 239.334 3.265 20 0 BGADHN FC(F)(F)C1CN(CC2CCCCCC2)C1 ZINC000809557520 712584493 /nfs/dbraw/zinc/58/44/93/712584493.db2.gz DTRJMLRJHKDSJR-UHFFFAOYSA-N 0 3 235.293 3.451 20 0 BGADHN CCc1cc(CNCCC2CCCCCC2)[nH]n1 ZINC000809618277 586509515 /nfs/dbraw/zinc/50/95/15/586509515.db2.gz HZDJFYQNVXIOFS-UHFFFAOYSA-N 0 3 249.402 3.422 20 0 BGADHN CCc1cc(CNCCCC2CCCCC2)[nH]n1 ZINC000809618902 586509390 /nfs/dbraw/zinc/50/93/90/586509390.db2.gz RKKDKZHYVRJJRC-UHFFFAOYSA-N 0 3 249.402 3.422 20 0 BGADHN Cc1cc(CN[C@H](C)c2ccc[nH]2)cc(C)c1O ZINC000809630249 586509680 /nfs/dbraw/zinc/50/96/80/586509680.db2.gz QFHKDBXXXXNTAN-GFCCVEGCSA-N 0 3 244.338 3.188 20 0 BGADHN Cc1cc(CN[C@@H](C)c2ccc[nH]2)cc(C)c1O ZINC000809630250 586509692 /nfs/dbraw/zinc/50/96/92/586509692.db2.gz QFHKDBXXXXNTAN-LBPRGKRZSA-N 0 3 244.338 3.188 20 0 BGADHN Cc1nc(F)ccc1CN1CCC2(CCC2)CC1 ZINC000809706512 586513886 /nfs/dbraw/zinc/51/38/86/586513886.db2.gz BDEJQUPOYUCQFL-UHFFFAOYSA-N 0 3 248.345 3.295 20 0 BGADHN c1cc(CN2CCC3(CCC3)CC2)co1 ZINC000809707467 586513951 /nfs/dbraw/zinc/51/39/51/586513951.db2.gz WZVRHJPZHMHQQF-UHFFFAOYSA-N 0 3 205.301 3.046 20 0 BGADHN c1cc(CN2CCC(c3cccnc3)CC2)co1 ZINC000809737150 586515740 /nfs/dbraw/zinc/51/57/40/586515740.db2.gz FBVPFTGQYQTWMW-UHFFFAOYSA-N 0 3 242.322 3.054 20 0 BGADHN Cc1nc(F)ccc1CNC1C(C)(C)C1(C)C ZINC000809754436 586517964 /nfs/dbraw/zinc/51/79/64/586517964.db2.gz AYYMJACWKBLMEJ-UHFFFAOYSA-N 0 3 236.334 3.053 20 0 BGADHN CC[C@@H](c1ccncc1)N(C)C[C@H]1CCC=CO1 ZINC000809763974 586518301 /nfs/dbraw/zinc/51/83/01/586518301.db2.gz BRJUAUVCIMVMRY-CABCVRRESA-N 0 3 246.354 3.157 20 0 BGADHN CC[C@@H](c1ccncc1)N(C)C[C@@H]1CCC=CO1 ZINC000809763975 586518583 /nfs/dbraw/zinc/51/85/83/586518583.db2.gz BRJUAUVCIMVMRY-GJZGRUSLSA-N 0 3 246.354 3.157 20 0 BGADHN CC[C@H](c1ccncc1)N(C)C[C@H]1CCC=CO1 ZINC000809763976 586518284 /nfs/dbraw/zinc/51/82/84/586518284.db2.gz BRJUAUVCIMVMRY-HUUCEWRRSA-N 0 3 246.354 3.157 20 0 BGADHN CC[C@H](c1ccncc1)N(C)C[C@@H]1CCC=CO1 ZINC000809763977 586518440 /nfs/dbraw/zinc/51/84/40/586518440.db2.gz BRJUAUVCIMVMRY-LSDHHAIUSA-N 0 3 246.354 3.157 20 0 BGADHN CC[C@H](CSC)N(C)Cc1cc(C)oc1C ZINC000809767837 586518685 /nfs/dbraw/zinc/51/86/85/586518685.db2.gz VUECZLULPRNBIV-CYBMUJFWSA-N 0 3 241.400 3.470 20 0 BGADHN CC[C@@H](CSC)N(C)Cc1cc(C)oc1C ZINC000809767838 586518832 /nfs/dbraw/zinc/51/88/32/586518832.db2.gz VUECZLULPRNBIV-ZDUSSCGKSA-N 0 3 241.400 3.470 20 0 BGADHN CN(Cc1ccoc1)C1CCC(F)(F)CC1 ZINC000809782369 586519930 /nfs/dbraw/zinc/51/99/30/586519930.db2.gz QRYPOAVGOBHJII-UHFFFAOYSA-N 0 3 229.270 3.289 20 0 BGADHN Cc1nc(C)c(CN2[C@H](C)CCC[C@@H]2C)o1 ZINC000809943737 586524812 /nfs/dbraw/zinc/52/48/12/586524812.db2.gz DJCQEZIGSKKLMN-AOOOYVTPSA-N 0 3 222.332 3.054 20 0 BGADHN Cc1nc(C)c(CN2[C@H](C)CCC[C@H]2C)o1 ZINC000809943738 586525265 /nfs/dbraw/zinc/52/52/65/586525265.db2.gz DJCQEZIGSKKLMN-NXEZZACHSA-N 0 3 222.332 3.054 20 0 BGADHN Cc1nc(C)c(CN2[C@@H](C)CCC[C@@H]2C)o1 ZINC000809943739 586525027 /nfs/dbraw/zinc/52/50/27/586525027.db2.gz DJCQEZIGSKKLMN-UWVGGRQHSA-N 0 3 222.332 3.054 20 0 BGADHN Cc1nc(C)c(CN2CCC3(CCCC3)CC2)o1 ZINC000809949128 586525939 /nfs/dbraw/zinc/52/59/39/586525939.db2.gz ZYKNNEWVPJRDQD-UHFFFAOYSA-N 0 3 248.370 3.448 20 0 BGADHN Cc1nc(C)c(CN2CCC3(CCCC3)C2)o1 ZINC000809950659 586525838 /nfs/dbraw/zinc/52/58/38/586525838.db2.gz LNXVYVOKIQPOGF-UHFFFAOYSA-N 0 3 234.343 3.058 20 0 BGADHN Cc1nc(C)c(CN2CCCC3(CCCC3)C2)o1 ZINC000809985728 586528691 /nfs/dbraw/zinc/52/86/91/586528691.db2.gz QILCDHQPSZVPIP-UHFFFAOYSA-N 0 3 248.370 3.448 20 0 BGADHN CCN(C/C=C\Cl)[C@@H]1CCOC(C)(C)C1 ZINC000810042984 586531854 /nfs/dbraw/zinc/53/18/54/586531854.db2.gz NKDNBFAJZLJRBQ-JPVGGKMYSA-N 0 3 231.767 3.018 20 0 BGADHN CCN(C/C=C/Cl)[C@@H]1CCOC(C)(C)C1 ZINC000810042985 586531903 /nfs/dbraw/zinc/53/19/03/586531903.db2.gz NKDNBFAJZLJRBQ-OKPNEXGHSA-N 0 3 231.767 3.018 20 0 BGADHN CCN(C/C=C\Cl)[C@H]1CCOC(C)(C)C1 ZINC000810042986 586532194 /nfs/dbraw/zinc/53/21/94/586532194.db2.gz NKDNBFAJZLJRBQ-XOIDGJRKSA-N 0 3 231.767 3.018 20 0 BGADHN CCN(C/C=C/Cl)[C@H]1CCOC(C)(C)C1 ZINC000810042987 586531953 /nfs/dbraw/zinc/53/19/53/586531953.db2.gz NKDNBFAJZLJRBQ-ZRQQLDRUSA-N 0 3 231.767 3.018 20 0 BGADHN C[C@H]1CN(CCc2cccs2)CCC1(F)F ZINC000810044823 586532514 /nfs/dbraw/zinc/53/25/14/586532514.db2.gz QGSOTWGIKVWNQX-JTQLQIEISA-N 0 3 245.338 3.268 20 0 BGADHN C[C@@H]1CN(CCc2cccs2)CCC1(F)F ZINC000810044824 586532838 /nfs/dbraw/zinc/53/28/38/586532838.db2.gz QGSOTWGIKVWNQX-SNVBAGLBSA-N 0 3 245.338 3.268 20 0 BGADHN CC1(C2CC2)CCN(C/C=C/Cl)CC1 ZINC000810065364 586533024 /nfs/dbraw/zinc/53/30/24/586533024.db2.gz RZYIDDHRARQADI-FARCUNLSSA-N 0 3 213.752 3.251 20 0 BGADHN CC1(C2CC2)CCN(C/C=C\Cl)CC1 ZINC000810065365 586532989 /nfs/dbraw/zinc/53/29/89/586532989.db2.gz RZYIDDHRARQADI-UQCOIBPSSA-N 0 3 213.752 3.251 20 0 BGADHN Cc1c[nH]nc1CNCCCCCCC(C)C ZINC000810125335 586534568 /nfs/dbraw/zinc/53/45/68/586534568.db2.gz UKSCWCMHVRGAMT-UHFFFAOYSA-N 0 3 237.391 3.414 20 0 BGADHN CCCCCC(C)(C)CNCc1n[nH]cc1C ZINC000810148524 586535201 /nfs/dbraw/zinc/53/52/01/586535201.db2.gz SRTHSTANDTUNGV-UHFFFAOYSA-N 0 3 237.391 3.414 20 0 BGADHN CC1=C[C@H](C)C[C@H](CNCc2cccc(F)n2)C1 ZINC000810150481 586535597 /nfs/dbraw/zinc/53/55/97/586535597.db2.gz FOCVUFNVFVAOLT-AAEUAGOBSA-N 0 3 248.345 3.303 20 0 BGADHN CC1=C[C@@H](C)C[C@@H](CNCc2cccc(F)n2)C1 ZINC000810150483 586535629 /nfs/dbraw/zinc/53/56/29/586535629.db2.gz FOCVUFNVFVAOLT-DGCLKSJQSA-N 0 3 248.345 3.303 20 0 BGADHN CC1=C[C@H](C)C[C@@H](CNCc2cccc(F)n2)C1 ZINC000810150484 586535184 /nfs/dbraw/zinc/53/51/84/586535184.db2.gz FOCVUFNVFVAOLT-WCQYABFASA-N 0 3 248.345 3.303 20 0 BGADHN CC1=C[C@@H](C)C[C@H](CNCc2cccc(F)n2)C1 ZINC000810150485 586535606 /nfs/dbraw/zinc/53/56/06/586535606.db2.gz FOCVUFNVFVAOLT-YPMHNXCESA-N 0 3 248.345 3.303 20 0 BGADHN CC1=C[C@H](C)C[C@H](CNCc2cccnc2F)C1 ZINC000810155821 586535954 /nfs/dbraw/zinc/53/59/54/586535954.db2.gz IQDBUBUDWODCKE-AAEUAGOBSA-N 0 3 248.345 3.303 20 0 BGADHN CC1=C[C@@H](C)C[C@@H](CNCc2cccnc2F)C1 ZINC000810155822 586535907 /nfs/dbraw/zinc/53/59/07/586535907.db2.gz IQDBUBUDWODCKE-DGCLKSJQSA-N 0 3 248.345 3.303 20 0 BGADHN CC1=C[C@H](C)C[C@@H](CNCc2cccnc2F)C1 ZINC000810155823 586536337 /nfs/dbraw/zinc/53/63/37/586536337.db2.gz IQDBUBUDWODCKE-WCQYABFASA-N 0 3 248.345 3.303 20 0 BGADHN CC1=C[C@@H](C)C[C@H](CNCc2cccnc2F)C1 ZINC000810155824 586536002 /nfs/dbraw/zinc/53/60/02/586536002.db2.gz IQDBUBUDWODCKE-YPMHNXCESA-N 0 3 248.345 3.303 20 0 BGADHN CCCCC[C@@H](C)NCc1ncccc1N(C)C ZINC000810249350 586537740 /nfs/dbraw/zinc/53/77/40/586537740.db2.gz WLVKKBZZBYGMPI-CYBMUJFWSA-N 0 3 249.402 3.206 20 0 BGADHN CCCCC[C@H](C)NCc1ncccc1N(C)C ZINC000810249351 586537734 /nfs/dbraw/zinc/53/77/34/586537734.db2.gz WLVKKBZZBYGMPI-ZDUSSCGKSA-N 0 3 249.402 3.206 20 0 BGADHN Cc1c[nH]nc1CN(C)C1CCCCCCC1 ZINC000811459380 586559392 /nfs/dbraw/zinc/55/93/92/586559392.db2.gz FEVRPYSWNXJOKQ-UHFFFAOYSA-N 0 3 235.375 3.263 20 0 BGADHN c1cc(CN2CC3(CCC3)[C@H]2C2CC2)co1 ZINC000811513893 586560422 /nfs/dbraw/zinc/56/04/22/586560422.db2.gz UYGNJKGKQDUCOA-CYBMUJFWSA-N 0 3 217.312 3.044 20 0 BGADHN c1cc(CN2CC3(CCC3)[C@@H]2C2CC2)co1 ZINC000811513894 586560184 /nfs/dbraw/zinc/56/01/84/586560184.db2.gz UYGNJKGKQDUCOA-ZDUSSCGKSA-N 0 3 217.312 3.044 20 0 BGADHN CC1(C2CC2)CCN(Cc2ccc(F)nc2)CC1 ZINC000811514029 586560262 /nfs/dbraw/zinc/56/02/62/586560262.db2.gz AFHLODKMVRPMDJ-UHFFFAOYSA-N 0 3 248.345 3.233 20 0 BGADHN CC1(C2CC2)CCN(Cc2ccoc2)CC1 ZINC000811515339 586560502 /nfs/dbraw/zinc/56/05/02/586560502.db2.gz YQRMHLVYAMENJD-UHFFFAOYSA-N 0 3 219.328 3.292 20 0 BGADHN CCCC[C@@H](C)N(C)Cc1ccc(F)nc1 ZINC000811520402 586560341 /nfs/dbraw/zinc/56/03/41/586560341.db2.gz OLHOQCRXTHIURC-LLVKDONJSA-N 0 3 224.323 3.231 20 0 BGADHN CCCC[C@H](C)N(C)Cc1ccc(F)nc1 ZINC000811520405 586560494 /nfs/dbraw/zinc/56/04/94/586560494.db2.gz OLHOQCRXTHIURC-NSHDSACASA-N 0 3 224.323 3.231 20 0 BGADHN CCC1(C)CN(C[C@H](O)c2cc(C)cc(C)c2)C1 ZINC000812312670 586573139 /nfs/dbraw/zinc/57/31/39/586573139.db2.gz CAJLWXATFMLEIK-HNNXBMFYSA-N 0 3 247.382 3.069 20 0 BGADHN CCC1(C)CN(C[C@@H](O)c2cc(C)cc(C)c2)C1 ZINC000812312671 586573281 /nfs/dbraw/zinc/57/32/81/586573281.db2.gz CAJLWXATFMLEIK-OAHLLOKOSA-N 0 3 247.382 3.069 20 0 BGADHN COc1ccc2c(c1)nccc2NCCCCF ZINC000812479540 586577792 /nfs/dbraw/zinc/57/77/92/586577792.db2.gz GSGGOIUPWFEGCV-UHFFFAOYSA-N 0 3 248.301 3.405 20 0 BGADHN C=Cc1ccc(CCNCc2ccoc2)cc1 ZINC000812773059 586584084 /nfs/dbraw/zinc/58/40/84/586584084.db2.gz PMYGZGKKBFFZTM-UHFFFAOYSA-N 0 3 227.307 3.255 20 0 BGADHN c1ccc2c(c1)cncc2CN1CC(C2CC2)C1 ZINC000812776665 586583993 /nfs/dbraw/zinc/58/39/93/586583993.db2.gz XVWULBMWHUQFIO-UHFFFAOYSA-N 0 3 238.334 3.077 20 0 BGADHN c1ccc2ncc(CN3CC(C4CC4)C3)cc2c1 ZINC000812776744 586583892 /nfs/dbraw/zinc/58/38/92/586583892.db2.gz YUJOROHASOODDL-UHFFFAOYSA-N 0 3 238.334 3.077 20 0 BGADHN CCN(Cc1ccc(F)nc1)CC(C)(C)C ZINC000812794615 586585977 /nfs/dbraw/zinc/58/59/77/586585977.db2.gz KWBGIUDQYVNMHU-UHFFFAOYSA-N 0 3 224.323 3.089 20 0 BGADHN CCN(Cc1ccc(F)nc1C)CC(C)(C)C ZINC000812794796 586585826 /nfs/dbraw/zinc/58/58/26/586585826.db2.gz PIMAABWAYLYPKL-UHFFFAOYSA-N 0 3 238.350 3.397 20 0 BGADHN C[C@@H](NC1CCCCC1)c1cn2c(n1)CCCC2 ZINC000813322503 586600157 /nfs/dbraw/zinc/60/01/57/586600157.db2.gz DBCWMFSYVOORDA-GFCCVEGCSA-N 0 3 247.386 3.203 20 0 BGADHN C[C@H](NC1CCCCC1)c1cn2c(n1)CCCC2 ZINC000813322507 586600126 /nfs/dbraw/zinc/60/01/26/586600126.db2.gz DBCWMFSYVOORDA-LBPRGKRZSA-N 0 3 247.386 3.203 20 0 BGADHN Fc1ccc2c(c1)CCN(CCCC1CC1)C2 ZINC000813337616 586600905 /nfs/dbraw/zinc/60/09/05/586600905.db2.gz RVHLTBCAWDRNIW-UHFFFAOYSA-N 0 3 233.330 3.374 20 0 BGADHN C[C@H](c1ccncc1)N(C)CCCC1CC1 ZINC000813338293 586600697 /nfs/dbraw/zinc/60/06/97/586600697.db2.gz ZOTFYYDEJJDUCF-GFCCVEGCSA-N 0 3 218.344 3.265 20 0 BGADHN C[C@@H](c1ccncc1)N(C)CCCC1CC1 ZINC000813338295 586600694 /nfs/dbraw/zinc/60/06/94/586600694.db2.gz ZOTFYYDEJJDUCF-LBPRGKRZSA-N 0 3 218.344 3.265 20 0 BGADHN CCC(CC)(CNCc1cc(C)oc1C)OC ZINC000813792831 586606625 /nfs/dbraw/zinc/60/66/25/586606625.db2.gz DEOOZNGXRLDODM-UHFFFAOYSA-N 0 3 239.359 3.191 20 0 BGADHN Cc1cccc(CN(C)C[C@@H]2CCC=CO2)c1C ZINC000814170019 586615561 /nfs/dbraw/zinc/61/55/61/586615561.db2.gz QCVKNFMEFOXLLH-INIZCTEOSA-N 0 3 245.366 3.428 20 0 BGADHN Cc1cccc(CN(C)C[C@H]2CCC=CO2)c1C ZINC000814170020 586615625 /nfs/dbraw/zinc/61/56/25/586615625.db2.gz QCVKNFMEFOXLLH-MRXNPFEDSA-N 0 3 245.366 3.428 20 0 BGADHN CC(C)[C@H]1N(Cc2ccoc2)CC12CCC2 ZINC000814170668 586615428 /nfs/dbraw/zinc/61/54/28/586615428.db2.gz BPWDUDZWQINFOG-CYBMUJFWSA-N 0 3 219.328 3.290 20 0 BGADHN CC(C)[C@@H]1N(Cc2ccoc2)CC12CCC2 ZINC000814170669 586615349 /nfs/dbraw/zinc/61/53/49/586615349.db2.gz BPWDUDZWQINFOG-ZDUSSCGKSA-N 0 3 219.328 3.290 20 0 BGADHN Cc1nc(F)ccc1CN1CCC(C2CC2)CC1 ZINC000814172552 586615451 /nfs/dbraw/zinc/61/54/51/586615451.db2.gz SBKSFKWPLZYKCD-UHFFFAOYSA-N 0 3 248.345 3.151 20 0 BGADHN Fc1ccc(CN(C2CCC2)C2CCC2)cn1 ZINC000814177688 586615926 /nfs/dbraw/zinc/61/59/26/586615926.db2.gz MASIHACJPCOYAN-UHFFFAOYSA-N 0 3 234.318 3.128 20 0 BGADHN c1cc(CN(C2CCC2)C2CCC2)co1 ZINC000814177843 586616117 /nfs/dbraw/zinc/61/61/17/586616117.db2.gz QXQDJQAYOSVBBS-UHFFFAOYSA-N 0 3 205.301 3.187 20 0 BGADHN CCOCOc1ccc(CN2CC[C@@H]2CC)cc1 ZINC000814178834 586616120 /nfs/dbraw/zinc/61/61/20/586616120.db2.gz FHJVPLPOYTXABT-AWEZNQCLSA-N 0 3 249.354 3.044 20 0 BGADHN CCOCOc1ccc(CN2CC[C@H]2CC)cc1 ZINC000814178835 586616012 /nfs/dbraw/zinc/61/60/12/586616012.db2.gz FHJVPLPOYTXABT-CQSZACIVSA-N 0 3 249.354 3.044 20 0 BGADHN Fc1ccc([C@H]2C[C@H](NCc3ccoc3)C2)cc1 ZINC000814300066 586621088 /nfs/dbraw/zinc/62/10/88/586621088.db2.gz GAQOWKOIVAQBMF-CTYIDZIISA-N 0 3 245.297 3.455 20 0 BGADHN CCc1ccc([C@H]2CCN(CCF)C2)cc1 ZINC000814640364 586626870 /nfs/dbraw/zinc/62/68/70/586626870.db2.gz DLSGQNWGUCGQSO-AWEZNQCLSA-N 0 3 221.319 3.008 20 0 BGADHN CCc1ccc([C@@H]2CCN(CCF)C2)cc1 ZINC000814640365 586626760 /nfs/dbraw/zinc/62/67/60/586626760.db2.gz DLSGQNWGUCGQSO-CQSZACIVSA-N 0 3 221.319 3.008 20 0 BGADHN CCC(=O)CCN1CCC[C@H](c2ccccc2)C1 ZINC000814643958 586627446 /nfs/dbraw/zinc/62/74/46/586627446.db2.gz WCSFPYINXOHNHV-HNNXBMFYSA-N 0 3 245.366 3.235 20 0 BGADHN CCC(=O)CCN1CCC[C@@H](c2ccccc2)C1 ZINC000814643960 586627575 /nfs/dbraw/zinc/62/75/75/586627575.db2.gz WCSFPYINXOHNHV-OAHLLOKOSA-N 0 3 245.366 3.235 20 0 BGADHN CC(C)c1cnc(CN[C@H]2CC3CCC2CC3)o1 ZINC000814652172 586627503 /nfs/dbraw/zinc/62/75/03/586627503.db2.gz USMBHLBQHPQSNU-BPCQOVAHSA-N 0 3 248.370 3.466 20 0 BGADHN CC(C)c1cnc(CN[C@@H]2CC3CCC2CC3)o1 ZINC000814652173 583363274 /nfs/dbraw/zinc/36/32/74/583363274.db2.gz USMBHLBQHPQSNU-WXRRBKDZSA-N 0 3 248.370 3.466 20 0 BGADHN COc1ccc2c(c1)nccc2NCC[C@H](C)F ZINC000814914828 586649993 /nfs/dbraw/zinc/64/99/93/586649993.db2.gz PJPLIPSUCBPSNB-JTQLQIEISA-N 0 3 248.301 3.403 20 0 BGADHN COc1ccc2c(c1)nccc2NCC[C@@H](C)F ZINC000814914830 586650050 /nfs/dbraw/zinc/65/00/50/586650050.db2.gz PJPLIPSUCBPSNB-SNVBAGLBSA-N 0 3 248.301 3.403 20 0 BGADHN CCc1ccc(CN2CCCCCCC2)nc1 ZINC000815008334 586664173 /nfs/dbraw/zinc/66/41/73/586664173.db2.gz VCYIZNUGPKVZOH-UHFFFAOYSA-N 0 3 232.371 3.410 20 0 BGADHN Cc1nc(C(C)C)ccc1CN1CC[C@@H]2C[C@@H]21 ZINC000815079717 586665796 /nfs/dbraw/zinc/66/57/96/586665796.db2.gz UJLVBARNUOAGFX-DOMZBBRYSA-N 0 3 230.355 3.108 20 0 BGADHN Cc1nc(C(C)C)ccc1CN1CC[C@H]2C[C@H]21 ZINC000815079719 586665668 /nfs/dbraw/zinc/66/56/68/586665668.db2.gz UJLVBARNUOAGFX-SWLSCSKDSA-N 0 3 230.355 3.108 20 0 BGADHN CCc1nc(C(C)C)ccc1CN1CC[C@H]2C[C@H]21 ZINC000815079755 586665656 /nfs/dbraw/zinc/66/56/56/586665656.db2.gz VBOPJEFSZKNHPQ-BLLLJJGKSA-N 0 3 244.382 3.362 20 0 BGADHN CCc1nc(C(C)C)ccc1CN1CC[C@@H]2C[C@@H]21 ZINC000815079758 586666007 /nfs/dbraw/zinc/66/60/07/586666007.db2.gz VBOPJEFSZKNHPQ-WBMJQRKESA-N 0 3 244.382 3.362 20 0 BGADHN Cc1nocc1CNC[C@H](C)c1cccc(F)c1 ZINC000815118716 586667066 /nfs/dbraw/zinc/66/70/66/586667066.db2.gz JQKLSNHBIZYMHV-JTQLQIEISA-N 0 3 248.301 3.015 20 0 BGADHN Cc1nocc1CNC[C@@H](C)c1cccc(F)c1 ZINC000815118717 586667287 /nfs/dbraw/zinc/66/72/87/586667287.db2.gz JQKLSNHBIZYMHV-SNVBAGLBSA-N 0 3 248.301 3.015 20 0 BGADHN COc1ccc(F)c(CN[C@@H](C)C2(C)CC2)c1 ZINC000815120866 586667463 /nfs/dbraw/zinc/66/74/63/586667463.db2.gz ODCSPMGBUPRHIS-JTQLQIEISA-N 0 3 237.318 3.113 20 0 BGADHN COc1ccc(F)c(CN[C@H](C)C2(C)CC2)c1 ZINC000815120867 586667460 /nfs/dbraw/zinc/66/74/60/586667460.db2.gz ODCSPMGBUPRHIS-SNVBAGLBSA-N 0 3 237.318 3.113 20 0 BGADHN Cc1sccc1CNCCNc1ccccc1 ZINC000815128529 586669123 /nfs/dbraw/zinc/66/91/23/586669123.db2.gz FBLYMNNXQIWXMJ-UHFFFAOYSA-N 0 3 246.379 3.258 20 0 BGADHN COc1ccc(F)c(CNCCC2CCC2)c1 ZINC000815130089 584972852 /nfs/dbraw/zinc/97/28/52/584972852.db2.gz RGSDIEMRDJYVOR-UHFFFAOYSA-N 0 3 237.318 3.114 20 0 BGADHN COc1ccc(F)c(CNC23CCC(CC2)C3)c1 ZINC000815134967 586669087 /nfs/dbraw/zinc/66/90/87/586669087.db2.gz MWHGDKDQLLQKDP-UHFFFAOYSA-N 0 3 249.329 3.257 20 0 BGADHN CCOCC(C)(C)NCc1ccc(CF)cc1 ZINC000815137868 586669364 /nfs/dbraw/zinc/66/93/64/586669364.db2.gz QPOMRPSJGOLFCC-UHFFFAOYSA-N 0 3 239.334 3.061 20 0 BGADHN COc1ccc(F)c(CN[C@@H]2CC[C@H]2C2CC2)c1 ZINC000815139326 586669587 /nfs/dbraw/zinc/66/95/87/586669587.db2.gz DIMVCMMLSBAOHY-DZGCQCFKSA-N 0 3 249.329 3.113 20 0 BGADHN COc1ccc(F)c(CN[C@H]2CC[C@@H]2C2CC2)c1 ZINC000815139328 586669483 /nfs/dbraw/zinc/66/94/83/586669483.db2.gz DIMVCMMLSBAOHY-HIFRSBDPSA-N 0 3 249.329 3.113 20 0 BGADHN COc1ccc(F)c(CN[C@@H]2CC[C@@H]2C2CC2)c1 ZINC000815139330 586669674 /nfs/dbraw/zinc/66/96/74/586669674.db2.gz DIMVCMMLSBAOHY-UKRRQHHQSA-N 0 3 249.329 3.113 20 0 BGADHN COc1ccc(F)c(CN[C@H]2CC[C@H]2C2CC2)c1 ZINC000815139331 586669657 /nfs/dbraw/zinc/66/96/57/586669657.db2.gz DIMVCMMLSBAOHY-ZFWWWQNUSA-N 0 3 249.329 3.113 20 0 BGADHN CC(C)(C)C1CC(NCc2ccc(F)nc2)C1 ZINC000815147633 586670097 /nfs/dbraw/zinc/67/00/97/586670097.db2.gz TWQBRJGUGDVOCN-UHFFFAOYSA-N 0 3 236.334 3.135 20 0 BGADHN C[C@@H]1CN(Cc2cncc3ccccc32)[C@H]1C ZINC000815162013 586671646 /nfs/dbraw/zinc/67/16/46/586671646.db2.gz GKOPNKNTWYNOCM-NEPJUHHUSA-N 0 3 226.323 3.075 20 0 BGADHN C[C@@H]1[C@@H](C)CN1Cc1cncc2ccccc21 ZINC000815162015 586671726 /nfs/dbraw/zinc/67/17/26/586671726.db2.gz GKOPNKNTWYNOCM-NWDGAFQWSA-N 0 3 226.323 3.075 20 0 BGADHN C[C@H]1CN(Cc2cncc3ccccc32)[C@H]1C ZINC000815162016 586671248 /nfs/dbraw/zinc/67/12/48/586671248.db2.gz GKOPNKNTWYNOCM-RYUDHWBXSA-N 0 3 226.323 3.075 20 0 BGADHN C[C@@H]1CN(Cc2cncc3ccccc32)[C@@H]1C ZINC000815162018 586671283 /nfs/dbraw/zinc/67/12/83/586671283.db2.gz GKOPNKNTWYNOCM-VXGBXAGGSA-N 0 3 226.323 3.075 20 0 BGADHN C[C@@H]1CN(Cc2ccc(F)c3cccnc23)[C@@H]1C ZINC000815162062 586671412 /nfs/dbraw/zinc/67/14/12/586671412.db2.gz CFBFEUJKAKHVHN-GHMZBOCLSA-N 0 3 244.313 3.214 20 0 BGADHN C[C@@H]1CN(Cc2ccc(F)c3cccnc23)[C@H]1C ZINC000815162063 586671596 /nfs/dbraw/zinc/67/15/96/586671596.db2.gz CFBFEUJKAKHVHN-MNOVXSKESA-N 0 3 244.313 3.214 20 0 BGADHN C[C@H]1CN(Cc2ccc(F)c3cccnc23)[C@H]1C ZINC000815162065 586671744 /nfs/dbraw/zinc/67/17/44/586671744.db2.gz CFBFEUJKAKHVHN-QWRGUYRKSA-N 0 3 244.313 3.214 20 0 BGADHN C[C@@H]1[C@@H](C)CN1Cc1ccc(F)c2cccnc12 ZINC000815162067 586672005 /nfs/dbraw/zinc/67/20/05/586672005.db2.gz CFBFEUJKAKHVHN-WDEREUQCSA-N 0 3 244.313 3.214 20 0 BGADHN Cc1cc(Cl)ccc1CN1C[C@@H](C)[C@H]1C ZINC000815162280 586671672 /nfs/dbraw/zinc/67/16/72/586671672.db2.gz IAZXYEAOVLEKES-GHMZBOCLSA-N 0 3 223.747 3.489 20 0 BGADHN Cc1cc(Cl)ccc1CN1C[C@@H](C)[C@@H]1C ZINC000815162281 586671277 /nfs/dbraw/zinc/67/12/77/586671277.db2.gz IAZXYEAOVLEKES-MNOVXSKESA-N 0 3 223.747 3.489 20 0 BGADHN Cc1cc(Cl)ccc1CN1C[C@H](C)[C@@H]1C ZINC000815162282 586671717 /nfs/dbraw/zinc/67/17/17/586671717.db2.gz IAZXYEAOVLEKES-QWRGUYRKSA-N 0 3 223.747 3.489 20 0 BGADHN Cc1cc(Cl)ccc1CN1C[C@H](C)[C@H]1C ZINC000815162283 586671072 /nfs/dbraw/zinc/67/10/72/586671072.db2.gz IAZXYEAOVLEKES-WDEREUQCSA-N 0 3 223.747 3.489 20 0 BGADHN CC(C)Oc1ccc(CN2C[C@@H](C)[C@H]2C)cc1 ZINC000815162762 586671843 /nfs/dbraw/zinc/67/18/43/586671843.db2.gz MCVCZNSJHNDLJN-CHWSQXEVSA-N 0 3 233.355 3.314 20 0 BGADHN CC(C)Oc1ccc(CN2C[C@@H](C)[C@@H]2C)cc1 ZINC000815162763 586672059 /nfs/dbraw/zinc/67/20/59/586672059.db2.gz MCVCZNSJHNDLJN-OLZOCXBDSA-N 0 3 233.355 3.314 20 0 BGADHN CC(C)Oc1ccc(CN2C[C@H](C)[C@H]2C)cc1 ZINC000815162765 586671294 /nfs/dbraw/zinc/67/12/94/586671294.db2.gz MCVCZNSJHNDLJN-QWHCGFSZSA-N 0 3 233.355 3.314 20 0 BGADHN CC(C)Oc1ccc(CN2C[C@H](C)[C@@H]2C)cc1 ZINC000815162767 586671684 /nfs/dbraw/zinc/67/16/84/586671684.db2.gz MCVCZNSJHNDLJN-STQMWFEESA-N 0 3 233.355 3.314 20 0 BGADHN CCCOc1ccc(CN2C[C@@H](C)[C@H]2C)cc1 ZINC000815163312 586671669 /nfs/dbraw/zinc/67/16/69/586671669.db2.gz QDTOYBVVYAQICX-CHWSQXEVSA-N 0 3 233.355 3.316 20 0 BGADHN CCCOc1ccc(CN2C[C@@H](C)[C@@H]2C)cc1 ZINC000815163314 586671771 /nfs/dbraw/zinc/67/17/71/586671771.db2.gz QDTOYBVVYAQICX-OLZOCXBDSA-N 0 3 233.355 3.316 20 0 BGADHN CCCOc1ccc(CN2C[C@H](C)[C@H]2C)cc1 ZINC000815163315 586671652 /nfs/dbraw/zinc/67/16/52/586671652.db2.gz QDTOYBVVYAQICX-QWHCGFSZSA-N 0 3 233.355 3.316 20 0 BGADHN CCCOc1ccc(CN2C[C@H](C)[C@@H]2C)cc1 ZINC000815163316 586671675 /nfs/dbraw/zinc/67/16/75/586671675.db2.gz QDTOYBVVYAQICX-STQMWFEESA-N 0 3 233.355 3.316 20 0 BGADHN CC(=O)CCN1Cc2cc(C)ccc2CC1(C)C ZINC000815185551 586673227 /nfs/dbraw/zinc/67/32/27/586673227.db2.gz DQQOLWIEZATXMQ-UHFFFAOYSA-N 0 3 245.366 3.111 20 0 BGADHN Cc1cc(F)ccc1[C@@H](C)NCc1cccnc1 ZINC000815552436 586687742 /nfs/dbraw/zinc/68/77/42/586687742.db2.gz BDGMQABWVHVDSC-GFCCVEGCSA-N 0 3 244.313 3.380 20 0 BGADHN Cc1cc(F)ccc1[C@H](C)NCc1cccnc1 ZINC000815552437 586687708 /nfs/dbraw/zinc/68/77/08/586687708.db2.gz BDGMQABWVHVDSC-LBPRGKRZSA-N 0 3 244.313 3.380 20 0 BGADHN Cc1cc(CN[C@H](C)c2ccc(F)cc2C)n[nH]1 ZINC000815581745 586688250 /nfs/dbraw/zinc/68/82/50/586688250.db2.gz OHLWGYZNDMSJIU-LLVKDONJSA-N 0 3 247.317 3.016 20 0 BGADHN Cc1cc(CN[C@@H](C)c2ccc(F)cc2C)n[nH]1 ZINC000815581746 586688429 /nfs/dbraw/zinc/68/84/29/586688429.db2.gz OHLWGYZNDMSJIU-NSHDSACASA-N 0 3 247.317 3.016 20 0 BGADHN COC(C)(C)[C@@H](C)NCc1c(C)cccc1F ZINC000815583503 586688402 /nfs/dbraw/zinc/68/84/02/586688402.db2.gz HOLNUDPUZWEBLW-LLVKDONJSA-N 0 3 239.334 3.037 20 0 BGADHN COC(C)(C)[C@H](C)NCc1c(C)cccc1F ZINC000815583504 586688254 /nfs/dbraw/zinc/68/82/54/586688254.db2.gz HOLNUDPUZWEBLW-NSHDSACASA-N 0 3 239.334 3.037 20 0 BGADHN Cc1cc(F)ccc1[C@@H](C)NCc1ccn(C)c1 ZINC000815585836 586688060 /nfs/dbraw/zinc/68/80/60/586688060.db2.gz UBHJPENNSJXKMT-GFCCVEGCSA-N 0 3 246.329 3.323 20 0 BGADHN Cc1cc(F)ccc1[C@H](C)NCc1ccn(C)c1 ZINC000815585837 586688089 /nfs/dbraw/zinc/68/80/89/586688089.db2.gz UBHJPENNSJXKMT-LBPRGKRZSA-N 0 3 246.329 3.323 20 0 BGADHN Fc1cccc(CN[C@@H]2CCCC23CCCC3)n1 ZINC000815598257 586688780 /nfs/dbraw/zinc/68/87/80/586688780.db2.gz QDVGLNWSMKLJBB-CYBMUJFWSA-N 0 3 248.345 3.423 20 0 BGADHN Fc1cccc(CN[C@H]2CCCC23CCCC3)n1 ZINC000815598258 586688726 /nfs/dbraw/zinc/68/87/26/586688726.db2.gz QDVGLNWSMKLJBB-ZDUSSCGKSA-N 0 3 248.345 3.423 20 0 BGADHN Cc1cc(F)ccc1[C@@H](C)N[C@H](C)c1cn[nH]c1 ZINC000815599063 586688765 /nfs/dbraw/zinc/68/87/65/586688765.db2.gz KDVRQLJKOBOLFX-GHMZBOCLSA-N 0 3 247.317 3.269 20 0 BGADHN Cc1cc(F)ccc1[C@H](C)N[C@H](C)c1cn[nH]c1 ZINC000815599064 586688866 /nfs/dbraw/zinc/68/88/66/586688866.db2.gz KDVRQLJKOBOLFX-MNOVXSKESA-N 0 3 247.317 3.269 20 0 BGADHN Cc1cc(F)ccc1[C@H](C)N[C@@H](C)c1cn[nH]c1 ZINC000815599065 586688607 /nfs/dbraw/zinc/68/86/07/586688607.db2.gz KDVRQLJKOBOLFX-QWRGUYRKSA-N 0 3 247.317 3.269 20 0 BGADHN Cc1cc(F)ccc1[C@@H](C)N[C@@H](C)c1cn[nH]c1 ZINC000815599066 586688721 /nfs/dbraw/zinc/68/87/21/586688721.db2.gz KDVRQLJKOBOLFX-WDEREUQCSA-N 0 3 247.317 3.269 20 0 BGADHN Cc1cc(F)ccc1[C@@H](C)NCCOC(C)C ZINC000815616486 586689312 /nfs/dbraw/zinc/68/93/12/586689312.db2.gz PQRXOUAVVRJMOJ-GFCCVEGCSA-N 0 3 239.334 3.210 20 0 BGADHN Cc1cc(F)ccc1[C@H](C)NCCOC(C)C ZINC000815616487 586689235 /nfs/dbraw/zinc/68/92/35/586689235.db2.gz PQRXOUAVVRJMOJ-LBPRGKRZSA-N 0 3 239.334 3.210 20 0 BGADHN Cc1cc(F)ccc1[C@H](C)NC[C@H]1CCC=CO1 ZINC000815618702 586689102 /nfs/dbraw/zinc/68/91/02/586689102.db2.gz SBWXTHUMQNELPI-GXTWGEPZSA-N 0 3 249.329 3.477 20 0 BGADHN Cc1cc(F)ccc1[C@H](C)NC[C@@H]1CCC=CO1 ZINC000815618703 586689321 /nfs/dbraw/zinc/68/93/21/586689321.db2.gz SBWXTHUMQNELPI-JSGCOSHPSA-N 0 3 249.329 3.477 20 0 BGADHN Cc1cc(F)ccc1[C@@H](C)NC[C@@H]1CCC=CO1 ZINC000815618704 586689255 /nfs/dbraw/zinc/68/92/55/586689255.db2.gz SBWXTHUMQNELPI-OCCSQVGLSA-N 0 3 249.329 3.477 20 0 BGADHN Cc1cc(F)ccc1[C@@H](C)NC[C@H]1CCC=CO1 ZINC000815618705 586689130 /nfs/dbraw/zinc/68/91/30/586689130.db2.gz SBWXTHUMQNELPI-TZMCWYRMSA-N 0 3 249.329 3.477 20 0 BGADHN CCOC[C@H](C)N[C@H](C)c1ccc(F)cc1C ZINC000815619020 586689192 /nfs/dbraw/zinc/68/91/92/586689192.db2.gz ZVYHIOKVSCZLEP-NWDGAFQWSA-N 0 3 239.334 3.210 20 0 BGADHN CCOC[C@H](C)N[C@@H](C)c1ccc(F)cc1C ZINC000815619021 586689404 /nfs/dbraw/zinc/68/94/04/586689404.db2.gz ZVYHIOKVSCZLEP-RYUDHWBXSA-N 0 3 239.334 3.210 20 0 BGADHN Fc1ncccc1CN[C@@H]1CCCC12CCCC2 ZINC000815622317 586689300 /nfs/dbraw/zinc/68/93/00/586689300.db2.gz ROUDLCHCVQCHGM-CYBMUJFWSA-N 0 3 248.345 3.423 20 0 BGADHN Fc1ncccc1CN[C@H]1CCCC12CCCC2 ZINC000815622318 586689440 /nfs/dbraw/zinc/68/94/40/586689440.db2.gz ROUDLCHCVQCHGM-ZDUSSCGKSA-N 0 3 248.345 3.423 20 0 BGADHN Cc1cc(F)ccc1[C@@H](C)NCC1=CCCOC1 ZINC000815626372 586689316 /nfs/dbraw/zinc/68/93/16/586689316.db2.gz BRZNURMEZCFLLU-GFCCVEGCSA-N 0 3 249.329 3.131 20 0 BGADHN Cc1cc(F)ccc1[C@H](C)NCC1=CCCOC1 ZINC000815626373 586689079 /nfs/dbraw/zinc/68/90/79/586689079.db2.gz BRZNURMEZCFLLU-LBPRGKRZSA-N 0 3 249.329 3.131 20 0 BGADHN CC[C@@H](CN[C@@H](C)c1ccc(F)cc1C)OC ZINC000815627577 586689199 /nfs/dbraw/zinc/68/91/99/586689199.db2.gz DKUIKEPUWDUFLD-AAEUAGOBSA-N 0 3 239.334 3.210 20 0 BGADHN CC[C@H](CN[C@H](C)c1ccc(F)cc1C)OC ZINC000815627578 586689218 /nfs/dbraw/zinc/68/92/18/586689218.db2.gz DKUIKEPUWDUFLD-DGCLKSJQSA-N 0 3 239.334 3.210 20 0 BGADHN CC[C@H](CN[C@@H](C)c1ccc(F)cc1C)OC ZINC000815627579 586689151 /nfs/dbraw/zinc/68/91/51/586689151.db2.gz DKUIKEPUWDUFLD-WCQYABFASA-N 0 3 239.334 3.210 20 0 BGADHN CC[C@@H](CN[C@H](C)c1ccc(F)cc1C)OC ZINC000815627580 586689165 /nfs/dbraw/zinc/68/91/65/586689165.db2.gz DKUIKEPUWDUFLD-YPMHNXCESA-N 0 3 239.334 3.210 20 0 BGADHN Cc1cc([C@H](C)NC2CC(C(C)(C)C)C2)n(C)n1 ZINC000815643010 586690177 /nfs/dbraw/zinc/69/01/77/586690177.db2.gz RHVAOFVABBHHHX-HIFPTAJRSA-N 0 3 249.402 3.204 20 0 BGADHN Cc1cc([C@@H](C)NC2CC(C(C)(C)C)C2)n(C)n1 ZINC000815643011 586690470 /nfs/dbraw/zinc/69/04/70/586690470.db2.gz RHVAOFVABBHHHX-PNESKVBLSA-N 0 3 249.402 3.204 20 0 BGADHN CC[C@@H](NCc1c(F)cc(F)cc1F)C1CC1 ZINC000815649551 586690017 /nfs/dbraw/zinc/69/00/17/586690017.db2.gz SSRDCQDTRWEASU-CYBMUJFWSA-N 0 3 243.272 3.382 20 0 BGADHN CC[C@H](NCc1c(F)cc(F)cc1F)C1CC1 ZINC000815649552 586690304 /nfs/dbraw/zinc/69/03/04/586690304.db2.gz SSRDCQDTRWEASU-ZDUSSCGKSA-N 0 3 243.272 3.382 20 0 BGADHN CCc1nocc1CN1CCCCCCC1 ZINC000816481163 586736329 /nfs/dbraw/zinc/73/63/29/586736329.db2.gz LDCHSRGDPQXCSU-UHFFFAOYSA-N 0 3 222.332 3.003 20 0 BGADHN CCc1nocc1CN1CCC2(CCCC2)C1 ZINC000816509201 586737469 /nfs/dbraw/zinc/73/74/69/586737469.db2.gz HIYRFDRQRLQBNU-UHFFFAOYSA-N 0 3 234.343 3.003 20 0 BGADHN Cc1nocc1CN1CCC(CC(C)C)CC1 ZINC000816521794 586738047 /nfs/dbraw/zinc/73/80/47/586738047.db2.gz YSJVLSVMUAYUSQ-UHFFFAOYSA-N 0 3 236.359 3.241 20 0 BGADHN CCC(CC)N(CC)Cc1cnn(C)c1Cl ZINC000816613258 586744581 /nfs/dbraw/zinc/74/45/81/586744581.db2.gz OELUFTQBWANDEM-UHFFFAOYSA-N 0 3 243.782 3.084 20 0 BGADHN CC(C)[C@H]1N(Cc2ccoc2)CC1(C)C ZINC000816624747 586745940 /nfs/dbraw/zinc/74/59/40/586745940.db2.gz GNFOGQRAYNYFSH-GFCCVEGCSA-N 0 3 207.317 3.146 20 0 BGADHN CC(C)[C@@H]1N(Cc2ccoc2)CC1(C)C ZINC000816624748 586746274 /nfs/dbraw/zinc/74/62/74/586746274.db2.gz GNFOGQRAYNYFSH-LBPRGKRZSA-N 0 3 207.317 3.146 20 0 BGADHN CN(CCF)CCCC1CCCCC1 ZINC000816640162 586746973 /nfs/dbraw/zinc/74/69/73/586746973.db2.gz XDTJZLAYPMWQDX-UHFFFAOYSA-N 0 3 201.329 3.248 20 0 BGADHN C[C@@H]1CN(Cc2ccc3cnccc3c2)[C@H]1C ZINC000816646415 586749203 /nfs/dbraw/zinc/74/92/03/586749203.db2.gz DASFXUDAEZZWIC-NEPJUHHUSA-N 0 3 226.323 3.075 20 0 BGADHN C[C@@H]1[C@@H](C)CN1Cc1ccc2cnccc2c1 ZINC000816646416 586749597 /nfs/dbraw/zinc/74/95/97/586749597.db2.gz DASFXUDAEZZWIC-NWDGAFQWSA-N 0 3 226.323 3.075 20 0 BGADHN C[C@H]1CN(Cc2ccc3cnccc3c2)[C@H]1C ZINC000816646417 586749623 /nfs/dbraw/zinc/74/96/23/586749623.db2.gz DASFXUDAEZZWIC-RYUDHWBXSA-N 0 3 226.323 3.075 20 0 BGADHN C[C@@H]1CN(Cc2ccc3cnccc3c2)[C@@H]1C ZINC000816646418 586749383 /nfs/dbraw/zinc/74/93/83/586749383.db2.gz DASFXUDAEZZWIC-VXGBXAGGSA-N 0 3 226.323 3.075 20 0 BGADHN CCCOc1cccc(CN2C[C@@H](C)[C@H]2C)c1 ZINC000816646617 643558477 /nfs/dbraw/zinc/55/84/77/643558477.db2.gz GKWPDBBVUVOFHC-CHWSQXEVSA-N 0 3 233.355 3.316 20 0 BGADHN CCCOc1cccc(CN2C[C@@H](C)[C@@H]2C)c1 ZINC000816646618 643556618 /nfs/dbraw/zinc/55/66/18/643556618.db2.gz GKWPDBBVUVOFHC-OLZOCXBDSA-N 0 3 233.355 3.316 20 0 BGADHN CCCOc1cccc(CN2C[C@H](C)[C@H]2C)c1 ZINC000816646619 643554455 /nfs/dbraw/zinc/55/44/55/643554455.db2.gz GKWPDBBVUVOFHC-QWHCGFSZSA-N 0 3 233.355 3.316 20 0 BGADHN CCCOc1cccc(CN2C[C@H](C)[C@@H]2C)c1 ZINC000816646620 643553574 /nfs/dbraw/zinc/55/35/74/643553574.db2.gz GKWPDBBVUVOFHC-STQMWFEESA-N 0 3 233.355 3.316 20 0 BGADHN C/C(=C/c1ccccc1)CN1C[C@H](C)[C@@H]1C ZINC000816646691 586749370 /nfs/dbraw/zinc/74/93/70/586749370.db2.gz HOXYWAQUAWXFCD-BHBDMTODSA-N 0 3 215.340 3.430 20 0 BGADHN C/C(=C/c1ccccc1)CN1C[C@H](C)[C@H]1C ZINC000816646692 586749083 /nfs/dbraw/zinc/74/90/83/586749083.db2.gz HOXYWAQUAWXFCD-JKOFNFNQSA-N 0 3 215.340 3.430 20 0 BGADHN C/C(=C\c1ccccc1)CN1C[C@H](C)[C@H]1C ZINC000816646693 586749305 /nfs/dbraw/zinc/74/93/05/586749305.db2.gz HOXYWAQUAWXFCD-UYEGUDHTSA-N 0 3 215.340 3.430 20 0 BGADHN C/C(=C\c1ccccc1)CN1C[C@H](C)[C@@H]1C ZINC000816646694 586748623 /nfs/dbraw/zinc/74/86/23/586748623.db2.gz HOXYWAQUAWXFCD-ZJTSMVRJSA-N 0 3 215.340 3.430 20 0 BGADHN C[C@@H]1CN(Cc2ccnc3ccccc23)[C@H]1C ZINC000816646784 586749058 /nfs/dbraw/zinc/74/90/58/586749058.db2.gz JBNQTYGHNRINAX-NEPJUHHUSA-N 0 3 226.323 3.075 20 0 BGADHN C[C@@H]1[C@@H](C)CN1Cc1ccnc2ccccc12 ZINC000816646785 586748989 /nfs/dbraw/zinc/74/89/89/586748989.db2.gz JBNQTYGHNRINAX-NWDGAFQWSA-N 0 3 226.323 3.075 20 0 BGADHN C[C@H]1CN(Cc2ccnc3ccccc23)[C@H]1C ZINC000816646786 586748919 /nfs/dbraw/zinc/74/89/19/586748919.db2.gz JBNQTYGHNRINAX-RYUDHWBXSA-N 0 3 226.323 3.075 20 0 BGADHN C[C@@H]1CN(Cc2ccnc3ccccc23)[C@@H]1C ZINC000816646787 586749269 /nfs/dbraw/zinc/74/92/69/586749269.db2.gz JBNQTYGHNRINAX-VXGBXAGGSA-N 0 3 226.323 3.075 20 0 BGADHN C[C@@H]1CN(Cc2ccc3c(c2)CC(C)(C)O3)[C@H]1C ZINC000816646788 586749440 /nfs/dbraw/zinc/74/94/40/586749440.db2.gz JCIIISCITARNJP-NEPJUHHUSA-N 0 3 245.366 3.240 20 0 BGADHN C[C@@H]1[C@@H](C)CN1Cc1ccc2c(c1)CC(C)(C)O2 ZINC000816646789 586748771 /nfs/dbraw/zinc/74/87/71/586748771.db2.gz JCIIISCITARNJP-NWDGAFQWSA-N 0 3 245.366 3.240 20 0 BGADHN C[C@H]1CN(Cc2ccc3c(c2)CC(C)(C)O3)[C@H]1C ZINC000816646790 586749041 /nfs/dbraw/zinc/74/90/41/586749041.db2.gz JCIIISCITARNJP-RYUDHWBXSA-N 0 3 245.366 3.240 20 0 BGADHN C[C@@H]1CN(Cc2ccc3c(c2)CC(C)(C)O3)[C@@H]1C ZINC000816646791 586748534 /nfs/dbraw/zinc/74/85/34/586748534.db2.gz JCIIISCITARNJP-VXGBXAGGSA-N 0 3 245.366 3.240 20 0 BGADHN COc1ccc2oc(CN3C[C@@H](C)[C@H]3C)cc2c1 ZINC000816647059 586748521 /nfs/dbraw/zinc/74/85/21/586748521.db2.gz MYUVLWZCUIKXII-GHMZBOCLSA-N 0 3 245.322 3.282 20 0 BGADHN COc1ccc2oc(CN3C[C@@H](C)[C@@H]3C)cc2c1 ZINC000816647060 586749568 /nfs/dbraw/zinc/74/95/68/586749568.db2.gz MYUVLWZCUIKXII-MNOVXSKESA-N 0 3 245.322 3.282 20 0 BGADHN COc1ccc2oc(CN3C[C@H](C)[C@@H]3C)cc2c1 ZINC000816647061 586749571 /nfs/dbraw/zinc/74/95/71/586749571.db2.gz MYUVLWZCUIKXII-QWRGUYRKSA-N 0 3 245.322 3.282 20 0 BGADHN COc1ccc2oc(CN3C[C@H](C)[C@H]3C)cc2c1 ZINC000816647062 586749448 /nfs/dbraw/zinc/74/94/48/586749448.db2.gz MYUVLWZCUIKXII-WDEREUQCSA-N 0 3 245.322 3.282 20 0 BGADHN Cc1cc(CN2C[C@@H](C)[C@H]2C)cc2cccnc12 ZINC000816647090 586748965 /nfs/dbraw/zinc/74/89/65/586748965.db2.gz NIYMYLZJJSGWAO-CHWSQXEVSA-N 0 3 240.350 3.383 20 0 BGADHN Cc1cc(CN2C[C@@H](C)[C@@H]2C)cc2cccnc12 ZINC000816647091 586749028 /nfs/dbraw/zinc/74/90/28/586749028.db2.gz NIYMYLZJJSGWAO-OLZOCXBDSA-N 0 3 240.350 3.383 20 0 BGADHN Cc1cc(CN2C[C@H](C)[C@H]2C)cc2cccnc12 ZINC000816647092 586749292 /nfs/dbraw/zinc/74/92/92/586749292.db2.gz NIYMYLZJJSGWAO-QWHCGFSZSA-N 0 3 240.350 3.383 20 0 BGADHN Cc1cc(CN2C[C@H](C)[C@@H]2C)cc2cccnc12 ZINC000816647093 586749221 /nfs/dbraw/zinc/74/92/21/586749221.db2.gz NIYMYLZJJSGWAO-STQMWFEESA-N 0 3 240.350 3.383 20 0 BGADHN COc1ccccc1/C=C\CN1C[C@H](C)[C@@H]1C ZINC000816647470 586748778 /nfs/dbraw/zinc/74/87/78/586748778.db2.gz SPDPFXKLWMEDFI-BZGOVLQXSA-N 0 3 231.339 3.049 20 0 BGADHN COc1ccccc1/C=C/CN1C[C@H](C)[C@H]1C ZINC000816647471 586749640 /nfs/dbraw/zinc/74/96/40/586749640.db2.gz SPDPFXKLWMEDFI-FRNKVXGRSA-N 0 3 231.339 3.049 20 0 BGADHN COc1ccccc1/C=C/CN1C[C@H](C)[C@@H]1C ZINC000816647472 586749010 /nfs/dbraw/zinc/74/90/10/586749010.db2.gz SPDPFXKLWMEDFI-KELULYIISA-N 0 3 231.339 3.049 20 0 BGADHN COc1ccccc1/C=C\CN1C[C@H](C)[C@H]1C ZINC000816647473 586748542 /nfs/dbraw/zinc/74/85/42/586748542.db2.gz SPDPFXKLWMEDFI-SVSNBYFCSA-N 0 3 231.339 3.049 20 0 BGADHN C[C@@H]1CN(Cc2coc3ccccc23)[C@@H]1C ZINC000816647507 586750865 /nfs/dbraw/zinc/75/08/65/586750865.db2.gz TZVSXUIVJCFARX-GHMZBOCLSA-N 0 3 215.296 3.273 20 0 BGADHN C[C@@H]1CN(Cc2coc3ccccc23)[C@H]1C ZINC000816647508 586750401 /nfs/dbraw/zinc/75/04/01/586750401.db2.gz TZVSXUIVJCFARX-MNOVXSKESA-N 0 3 215.296 3.273 20 0 BGADHN C[C@H]1CN(Cc2coc3ccccc23)[C@H]1C ZINC000816647509 586750199 /nfs/dbraw/zinc/75/01/99/586750199.db2.gz TZVSXUIVJCFARX-QWRGUYRKSA-N 0 3 215.296 3.273 20 0 BGADHN C[C@@H]1[C@@H](C)CN1Cc1coc2ccccc12 ZINC000816647510 586750340 /nfs/dbraw/zinc/75/03/40/586750340.db2.gz TZVSXUIVJCFARX-WDEREUQCSA-N 0 3 215.296 3.273 20 0 BGADHN COc1cccc2cc(CN3C[C@@H](C)[C@H]3C)oc21 ZINC000816647608 586750186 /nfs/dbraw/zinc/75/01/86/586750186.db2.gz VOJZFFHXESSSRX-GHMZBOCLSA-N 0 3 245.322 3.282 20 0 BGADHN COc1cccc2cc(CN3C[C@@H](C)[C@@H]3C)oc21 ZINC000816647609 586750590 /nfs/dbraw/zinc/75/05/90/586750590.db2.gz VOJZFFHXESSSRX-MNOVXSKESA-N 0 3 245.322 3.282 20 0 BGADHN COc1cccc2cc(CN3C[C@H](C)[C@@H]3C)oc21 ZINC000816647610 586750110 /nfs/dbraw/zinc/75/01/10/586750110.db2.gz VOJZFFHXESSSRX-QWRGUYRKSA-N 0 3 245.322 3.282 20 0 BGADHN COc1cccc2cc(CN3C[C@H](C)[C@H]3C)oc21 ZINC000816647611 586750711 /nfs/dbraw/zinc/75/07/11/586750711.db2.gz VOJZFFHXESSSRX-WDEREUQCSA-N 0 3 245.322 3.282 20 0 BGADHN Cc1ccc2cc(CN3C[C@H](C)[C@@H]3C)ccc2n1 ZINC000816647895 586750561 /nfs/dbraw/zinc/75/05/61/586750561.db2.gz ZXWYWFYPXKXKFR-AAEUAGOBSA-N 0 3 240.350 3.383 20 0 BGADHN Cc1ccc2cc(CN3C[C@@H](C)[C@H]3C)ccc2n1 ZINC000816647896 586750493 /nfs/dbraw/zinc/75/04/93/586750493.db2.gz ZXWYWFYPXKXKFR-DGCLKSJQSA-N 0 3 240.350 3.383 20 0 BGADHN Cc1ccc2cc(CN3C[C@H](C)[C@H]3C)ccc2n1 ZINC000816647897 586750025 /nfs/dbraw/zinc/75/00/25/586750025.db2.gz ZXWYWFYPXKXKFR-WCQYABFASA-N 0 3 240.350 3.383 20 0 BGADHN Cc1ccc2cc(CN3C[C@@H](C)[C@@H]3C)ccc2n1 ZINC000816647898 586750045 /nfs/dbraw/zinc/75/00/45/586750045.db2.gz ZXWYWFYPXKXKFR-YPMHNXCESA-N 0 3 240.350 3.383 20 0 BGADHN C[C@@H]1CN(Cc2cc3ccccc3[nH]2)[C@@H]1C ZINC000816648077 586750964 /nfs/dbraw/zinc/75/09/64/586750964.db2.gz DJIXTBBDOFVFMG-GHMZBOCLSA-N 0 3 214.312 3.008 20 0 BGADHN C[C@@H]1CN(Cc2cc3ccccc3[nH]2)[C@H]1C ZINC000816648078 586750048 /nfs/dbraw/zinc/75/00/48/586750048.db2.gz DJIXTBBDOFVFMG-MNOVXSKESA-N 0 3 214.312 3.008 20 0 BGADHN C[C@H]1CN(Cc2cc3ccccc3[nH]2)[C@H]1C ZINC000816648079 586750949 /nfs/dbraw/zinc/75/09/49/586750949.db2.gz DJIXTBBDOFVFMG-QWRGUYRKSA-N 0 3 214.312 3.008 20 0 BGADHN C[C@@H]1[C@@H](C)CN1Cc1cc2ccccc2[nH]1 ZINC000816648080 643554936 /nfs/dbraw/zinc/55/49/36/643554936.db2.gz DJIXTBBDOFVFMG-WDEREUQCSA-N 0 3 214.312 3.008 20 0 BGADHN Cc1nc2ccc(CN3C[C@@H](C)[C@H]3C)cc2s1 ZINC000816648234 586750540 /nfs/dbraw/zinc/75/05/40/586750540.db2.gz HHZDYBXGBXDVOV-NXEZZACHSA-N 0 3 246.379 3.445 20 0 BGADHN Cc1nc2ccc(CN3C[C@H](C)[C@@H]3C)cc2s1 ZINC000816648235 586750549 /nfs/dbraw/zinc/75/05/49/586750549.db2.gz HHZDYBXGBXDVOV-UWVGGRQHSA-N 0 3 246.379 3.445 20 0 BGADHN Cc1nc2ccc(CN3C[C@H](C)[C@H]3C)cc2s1 ZINC000816648236 586750939 /nfs/dbraw/zinc/75/09/39/586750939.db2.gz HHZDYBXGBXDVOV-VHSXEESVSA-N 0 3 246.379 3.445 20 0 BGADHN Cc1nc2ccc(CN3C[C@@H](C)[C@@H]3C)cc2s1 ZINC000816648237 586750278 /nfs/dbraw/zinc/75/02/78/586750278.db2.gz HHZDYBXGBXDVOV-ZJUUUORDSA-N 0 3 246.379 3.445 20 0 BGADHN C[C@@H]1CN(Cc2ccc3occc3c2)[C@@H]1C ZINC000816648355 586750506 /nfs/dbraw/zinc/75/05/06/586750506.db2.gz JGNUNTHTVPIJOR-GHMZBOCLSA-N 0 3 215.296 3.273 20 0 BGADHN C[C@@H]1CN(Cc2ccc3occc3c2)[C@H]1C ZINC000816648356 586750034 /nfs/dbraw/zinc/75/00/34/586750034.db2.gz JGNUNTHTVPIJOR-MNOVXSKESA-N 0 3 215.296 3.273 20 0 BGADHN C[C@H]1CN(Cc2ccc3occc3c2)[C@H]1C ZINC000816648357 586750789 /nfs/dbraw/zinc/75/07/89/586750789.db2.gz JGNUNTHTVPIJOR-QWRGUYRKSA-N 0 3 215.296 3.273 20 0 BGADHN C[C@@H]1[C@@H](C)CN1Cc1ccc2occc2c1 ZINC000816648358 586750179 /nfs/dbraw/zinc/75/01/79/586750179.db2.gz JGNUNTHTVPIJOR-WDEREUQCSA-N 0 3 215.296 3.273 20 0 BGADHN C[C@@H]1CN(Cc2ccccc2OCC2CC2)[C@@H]1C ZINC000816648423 586751468 /nfs/dbraw/zinc/75/14/68/586751468.db2.gz KNHVNBLBYIHABC-CHWSQXEVSA-N 0 3 245.366 3.316 20 0 BGADHN C[C@@H]1CN(Cc2ccccc2OCC2CC2)[C@H]1C ZINC000816648424 586751672 /nfs/dbraw/zinc/75/16/72/586751672.db2.gz KNHVNBLBYIHABC-OLZOCXBDSA-N 0 3 245.366 3.316 20 0 BGADHN C[C@@H]1[C@@H](C)CN1Cc1ccccc1OCC1CC1 ZINC000816648425 586752103 /nfs/dbraw/zinc/75/21/03/586752103.db2.gz KNHVNBLBYIHABC-QWHCGFSZSA-N 0 3 245.366 3.316 20 0 BGADHN C[C@H]1CN(Cc2ccccc2OCC2CC2)[C@H]1C ZINC000816648426 586752008 /nfs/dbraw/zinc/75/20/08/586752008.db2.gz KNHVNBLBYIHABC-STQMWFEESA-N 0 3 245.366 3.316 20 0 BGADHN C[C@@H]1CN(Cc2cccc3cnccc32)[C@H]1C ZINC000816648632 586751736 /nfs/dbraw/zinc/75/17/36/586751736.db2.gz MUYBXFUNTHKKGC-NEPJUHHUSA-N 0 3 226.323 3.075 20 0 BGADHN C[C@@H]1[C@@H](C)CN1Cc1cccc2cnccc21 ZINC000816648633 586751895 /nfs/dbraw/zinc/75/18/95/586751895.db2.gz MUYBXFUNTHKKGC-NWDGAFQWSA-N 0 3 226.323 3.075 20 0 BGADHN C[C@H]1CN(Cc2cccc3cnccc32)[C@H]1C ZINC000816648634 586751305 /nfs/dbraw/zinc/75/13/05/586751305.db2.gz MUYBXFUNTHKKGC-RYUDHWBXSA-N 0 3 226.323 3.075 20 0 BGADHN C[C@@H]1CN(Cc2cccc3cnccc32)[C@@H]1C ZINC000816648635 586751444 /nfs/dbraw/zinc/75/14/44/586751444.db2.gz MUYBXFUNTHKKGC-VXGBXAGGSA-N 0 3 226.323 3.075 20 0 BGADHN C[C@@H]1CN(Cc2nccc3ccccc32)[C@H]1C ZINC000816648747 586751867 /nfs/dbraw/zinc/75/18/67/586751867.db2.gz ONLWQBYHDSOLLX-NEPJUHHUSA-N 0 3 226.323 3.075 20 0 BGADHN C[C@@H]1[C@@H](C)CN1Cc1nccc2ccccc21 ZINC000816648748 586751971 /nfs/dbraw/zinc/75/19/71/586751971.db2.gz ONLWQBYHDSOLLX-NWDGAFQWSA-N 0 3 226.323 3.075 20 0 BGADHN C[C@H]1CN(Cc2nccc3ccccc32)[C@H]1C ZINC000816648749 586751277 /nfs/dbraw/zinc/75/12/77/586751277.db2.gz ONLWQBYHDSOLLX-RYUDHWBXSA-N 0 3 226.323 3.075 20 0 BGADHN C[C@@H]1CN(Cc2nccc3ccccc32)[C@@H]1C ZINC000816648750 586751184 /nfs/dbraw/zinc/75/11/84/586751184.db2.gz ONLWQBYHDSOLLX-VXGBXAGGSA-N 0 3 226.323 3.075 20 0 BGADHN C[C@@H]1CN(C/C=C\c2ccc(F)cc2)[C@H]1C ZINC000816648801 586751317 /nfs/dbraw/zinc/75/13/17/586751317.db2.gz PLDDLXLPDDKTCJ-BKGLOODYSA-N 0 3 219.303 3.179 20 0 BGADHN C[C@@H]1CN(C/C=C/c2ccc(F)cc2)[C@@H]1C ZINC000816648802 586751792 /nfs/dbraw/zinc/75/17/92/586751792.db2.gz PLDDLXLPDDKTCJ-BLDJZWNYSA-N 0 3 219.303 3.179 20 0 BGADHN C[C@@H]1CN(C/C=C/c2ccc(F)cc2)[C@H]1C ZINC000816648803 586751781 /nfs/dbraw/zinc/75/17/81/586751781.db2.gz PLDDLXLPDDKTCJ-LXYZTQFVSA-N 0 3 219.303 3.179 20 0 BGADHN C[C@@H]1CN(C/C=C\c2ccc(F)cc2)[C@@H]1C ZINC000816648804 586751181 /nfs/dbraw/zinc/75/11/81/586751181.db2.gz PLDDLXLPDDKTCJ-OPVGQWETSA-N 0 3 219.303 3.179 20 0 BGADHN CCc1cccc(F)c1CN1C[C@@H](C)[C@H]1C ZINC000816648958 586748685 /nfs/dbraw/zinc/74/86/85/586748685.db2.gz RDCOZJJAWCAZSJ-GHMZBOCLSA-N 0 3 221.319 3.228 20 0 BGADHN CCc1cccc(F)c1CN1C[C@@H](C)[C@@H]1C ZINC000816648959 586748820 /nfs/dbraw/zinc/74/88/20/586748820.db2.gz RDCOZJJAWCAZSJ-MNOVXSKESA-N 0 3 221.319 3.228 20 0 BGADHN CCc1cccc(F)c1CN1C[C@H](C)[C@@H]1C ZINC000816648960 586750040 /nfs/dbraw/zinc/75/00/40/586750040.db2.gz RDCOZJJAWCAZSJ-QWRGUYRKSA-N 0 3 221.319 3.228 20 0 BGADHN CCc1cccc(F)c1CN1C[C@H](C)[C@H]1C ZINC000816648961 586750333 /nfs/dbraw/zinc/75/03/33/586750333.db2.gz RDCOZJJAWCAZSJ-WDEREUQCSA-N 0 3 221.319 3.228 20 0 BGADHN C[C@@H]1CN(Cc2ccc(OCC3CC3)cc2)[C@@H]1C ZINC000816649121 586751978 /nfs/dbraw/zinc/75/19/78/586751978.db2.gz UINPJLQJUNVGKO-CHWSQXEVSA-N 0 3 245.366 3.316 20 0 BGADHN C[C@@H]1CN(Cc2ccc(OCC3CC3)cc2)[C@H]1C ZINC000816649122 586751882 /nfs/dbraw/zinc/75/18/82/586751882.db2.gz UINPJLQJUNVGKO-OLZOCXBDSA-N 0 3 245.366 3.316 20 0 BGADHN C[C@@H]1[C@@H](C)CN1Cc1ccc(OCC2CC2)cc1 ZINC000816649123 586751205 /nfs/dbraw/zinc/75/12/05/586751205.db2.gz UINPJLQJUNVGKO-QWHCGFSZSA-N 0 3 245.366 3.316 20 0 BGADHN C[C@H]1CN(Cc2ccc(OCC3CC3)cc2)[C@H]1C ZINC000816649124 586751382 /nfs/dbraw/zinc/75/13/82/586751382.db2.gz UINPJLQJUNVGKO-STQMWFEESA-N 0 3 245.366 3.316 20 0 BGADHN C[C@@H]1CN(C/C=C\c2ccc(F)c(F)c2)[C@@H]1C ZINC000816649233 586751426 /nfs/dbraw/zinc/75/14/26/586751426.db2.gz VZYBOYACDWYNCA-ANDSXOESSA-N 0 3 237.293 3.318 20 0 BGADHN C[C@@H]1CN(C/C=C\c2ccc(F)c(F)c2)[C@H]1C ZINC000816649234 586751678 /nfs/dbraw/zinc/75/16/78/586751678.db2.gz VZYBOYACDWYNCA-CJOPTALJSA-N 0 3 237.293 3.318 20 0 BGADHN C[C@@H]1CN(C/C=C/c2ccc(F)c(F)c2)[C@H]1C ZINC000816649235 586751802 /nfs/dbraw/zinc/75/18/02/586751802.db2.gz VZYBOYACDWYNCA-YHROSDCASA-N 0 3 237.293 3.318 20 0 BGADHN C[C@@H]1CN(C/C=C/c2ccc(F)c(F)c2)[C@@H]1C ZINC000816649236 586751535 /nfs/dbraw/zinc/75/15/35/586751535.db2.gz VZYBOYACDWYNCA-YIZUVKHSSA-N 0 3 237.293 3.318 20 0 BGADHN C[C@@H]1CN(Cc2cc3cc(F)ccc3o2)[C@@H]1C ZINC000816649264 586752228 /nfs/dbraw/zinc/75/22/28/586752228.db2.gz WNRXVEULGIMQJN-NXEZZACHSA-N 0 3 233.286 3.412 20 0 BGADHN C[C@H]1CN(Cc2cc3cc(F)ccc3o2)[C@H]1C ZINC000816649265 586752619 /nfs/dbraw/zinc/75/26/19/586752619.db2.gz WNRXVEULGIMQJN-UWVGGRQHSA-N 0 3 233.286 3.412 20 0 BGADHN C[C@@H]1[C@@H](C)CN1Cc1cc2cc(F)ccc2o1 ZINC000816649266 586752705 /nfs/dbraw/zinc/75/27/05/586752705.db2.gz WNRXVEULGIMQJN-VHSXEESVSA-N 0 3 233.286 3.412 20 0 BGADHN C[C@@H]1CN(Cc2cc3cc(F)ccc3o2)[C@H]1C ZINC000816649267 586752463 /nfs/dbraw/zinc/75/24/63/586752463.db2.gz WNRXVEULGIMQJN-ZJUUUORDSA-N 0 3 233.286 3.412 20 0 BGADHN CCc1ccc(CN2C[C@@H](C)[C@H]2C)s1 ZINC000816649422 586752935 /nfs/dbraw/zinc/75/29/35/586752935.db2.gz YZDHXUPHVXQKHU-NXEZZACHSA-N 0 3 209.358 3.151 20 0 BGADHN CCc1ccc(CN2C[C@H](C)[C@@H]2C)s1 ZINC000816649423 586752441 /nfs/dbraw/zinc/75/24/41/586752441.db2.gz YZDHXUPHVXQKHU-UWVGGRQHSA-N 0 3 209.358 3.151 20 0 BGADHN CCc1ccc(CN2C[C@H](C)[C@H]2C)s1 ZINC000816649424 586752582 /nfs/dbraw/zinc/75/25/82/586752582.db2.gz YZDHXUPHVXQKHU-VHSXEESVSA-N 0 3 209.358 3.151 20 0 BGADHN CCc1ccc(CN2C[C@@H](C)[C@@H]2C)s1 ZINC000816649425 586752767 /nfs/dbraw/zinc/75/27/67/586752767.db2.gz YZDHXUPHVXQKHU-ZJUUUORDSA-N 0 3 209.358 3.151 20 0 BGADHN CC(C)CCn1cccc1CN1C[C@H](C)[C@@H]1C ZINC000816649994 586752908 /nfs/dbraw/zinc/75/29/08/586752908.db2.gz RBQIXSFLWBNAPT-KBPBESRZSA-N 0 3 234.387 3.374 20 0 BGADHN CC(C)CCn1cccc1CN1C[C@@H](C)[C@@H]1C ZINC000816649995 586752314 /nfs/dbraw/zinc/75/23/14/586752314.db2.gz RBQIXSFLWBNAPT-KGLIPLIRSA-N 0 3 234.387 3.374 20 0 BGADHN CC(C)CCn1cccc1CN1C[C@H](C)[C@H]1C ZINC000816649996 586752867 /nfs/dbraw/zinc/75/28/67/586752867.db2.gz RBQIXSFLWBNAPT-UONOGXRCSA-N 0 3 234.387 3.374 20 0 BGADHN CC(C)CCn1cccc1CN1C[C@@H](C)[C@H]1C ZINC000816649997 586752625 /nfs/dbraw/zinc/75/26/25/586752625.db2.gz RBQIXSFLWBNAPT-ZIAGYGMSSA-N 0 3 234.387 3.374 20 0 BGADHN C[C@@]1(Cc2ccc(F)cc2)CCCN1CCF ZINC000817276525 586792619 /nfs/dbraw/zinc/79/26/19/586792619.db2.gz HLZGWSMXMCBLCM-AWEZNQCLSA-N 0 3 239.309 3.192 20 0 BGADHN C[C@]1(Cc2ccc(F)cc2)CCCN1CCF ZINC000817276526 586792185 /nfs/dbraw/zinc/79/21/85/586792185.db2.gz HLZGWSMXMCBLCM-CQSZACIVSA-N 0 3 239.309 3.192 20 0 BGADHN CC(C)N(Cc1cnc[nH]1)[C@H](C)c1ccsc1 ZINC000817287410 586793618 /nfs/dbraw/zinc/79/36/18/586793618.db2.gz NQYLZLCICGSFSJ-LLVKDONJSA-N 0 3 249.383 3.443 20 0 BGADHN CC(C)N(Cc1cnc[nH]1)[C@@H](C)c1ccsc1 ZINC000817287416 586793394 /nfs/dbraw/zinc/79/33/94/586793394.db2.gz NQYLZLCICGSFSJ-NSHDSACASA-N 0 3 249.383 3.443 20 0 BGADHN CC1(C)[C@@H](c2ccccc2)CCN1CCF ZINC000817297922 586794166 /nfs/dbraw/zinc/79/41/66/586794166.db2.gz XWGAJDABYJJKKR-CYBMUJFWSA-N 0 3 221.319 3.224 20 0 BGADHN CC1(C)[C@H](c2ccccc2)CCN1CCF ZINC000817297923 586794184 /nfs/dbraw/zinc/79/41/84/586794184.db2.gz XWGAJDABYJJKKR-ZDUSSCGKSA-N 0 3 221.319 3.224 20 0 BGADHN Fc1cccc(CNC2CC3(C2)CCCCC3)n1 ZINC000817408929 586800873 /nfs/dbraw/zinc/80/08/73/586800873.db2.gz SHSDEYMLBPTMHM-UHFFFAOYSA-N 0 3 248.345 3.423 20 0 BGADHN Fc1ncccc1CNC1CC2(C1)CCCCC2 ZINC000817409309 586801352 /nfs/dbraw/zinc/80/13/52/586801352.db2.gz IHEDRSMBAKZWKA-UHFFFAOYSA-N 0 3 248.345 3.423 20 0 BGADHN c1cn2c(n1)[C@H](NC1CC3(C1)CCCCC3)CC2 ZINC000817410054 586801040 /nfs/dbraw/zinc/80/10/40/586801040.db2.gz VGLNHTDKPCZJEW-CYBMUJFWSA-N 0 3 245.370 3.030 20 0 BGADHN c1cn2c(n1)[C@@H](NC1CC3(C1)CCCCC3)CC2 ZINC000817410058 586801177 /nfs/dbraw/zinc/80/11/77/586801177.db2.gz VGLNHTDKPCZJEW-ZDUSSCGKSA-N 0 3 245.370 3.030 20 0 BGADHN Fc1ccc(CN2CC[C@H](C3CCCC3)C2)cn1 ZINC000817414677 586803074 /nfs/dbraw/zinc/80/30/74/586803074.db2.gz ICSSDDCRRKRJJL-AWEZNQCLSA-N 0 3 248.345 3.233 20 0 BGADHN Fc1ccc(CN2CC[C@@H](C3CCCC3)C2)cn1 ZINC000817414678 586802397 /nfs/dbraw/zinc/80/23/97/586802397.db2.gz ICSSDDCRRKRJJL-CQSZACIVSA-N 0 3 248.345 3.233 20 0 BGADHN Clc1ncccc1CN[C@@H]1C[C@H]1C1CCC1 ZINC000818230026 586880532 /nfs/dbraw/zinc/88/05/32/586880532.db2.gz MRYHFTHZKOZKCS-NWDGAFQWSA-N 0 3 236.746 3.013 20 0 BGADHN Cc1cc(CN[C@@H]2C[C@H]2C2CCC2)c(C)o1 ZINC000818230028 586881010 /nfs/dbraw/zinc/88/10/10/586881010.db2.gz MTLIKOYRMPXUNY-UONOGXRCSA-N 0 3 219.328 3.175 20 0 BGADHN Clc1ccc(CN[C@@H]2C[C@H]2C2CCC2)cn1 ZINC000818230163 586880825 /nfs/dbraw/zinc/88/08/25/586880825.db2.gz NKCMQFYGKIQKEJ-NWDGAFQWSA-N 0 3 236.746 3.013 20 0 BGADHN CCC/C(C)=C/C(=O)Nc1cc(C)cc(CN)c1 ZINC000818288557 586884011 /nfs/dbraw/zinc/88/40/11/586884011.db2.gz BJPPBWAWCCQMAW-DHZHZOJOSA-N 0 3 246.354 3.139 20 0 BGADHN CCC/C(C)=C\C(=O)Nc1cc(C)cc(CN)c1 ZINC000818288558 586884027 /nfs/dbraw/zinc/88/40/27/586884027.db2.gz BJPPBWAWCCQMAW-FLIBITNWSA-N 0 3 246.354 3.139 20 0 BGADHN C[C@@H]1CC[C@@H]1N[C@@H]1C[C@]1(F)c1ccccc1 ZINC000818355385 586888514 /nfs/dbraw/zinc/88/85/14/586888514.db2.gz DTDISCUEQVAOIV-CABNGKKXSA-N 0 3 219.303 3.012 20 0 BGADHN C[C@@H]1CC[C@@H]1N[C@H]1C[C@]1(F)c1ccccc1 ZINC000818355386 586888346 /nfs/dbraw/zinc/88/83/46/586888346.db2.gz DTDISCUEQVAOIV-SAXRGWBVSA-N 0 3 219.303 3.012 20 0 BGADHN C[C@@H]1CC[C@@H]1N[C@H]1C[C@@]1(F)c1ccccc1 ZINC000818355387 586888547 /nfs/dbraw/zinc/88/85/47/586888547.db2.gz DTDISCUEQVAOIV-VZZFWQQMSA-N 0 3 219.303 3.012 20 0 BGADHN C[C@@H]1CC[C@@H]1N[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000818355388 586888331 /nfs/dbraw/zinc/88/83/31/586888331.db2.gz DTDISCUEQVAOIV-YXCITZCRSA-N 0 3 219.303 3.012 20 0 BGADHN CCc1noc(C)c1[C@H](C)N[C@@H]1C[C@H]1C1CCC1 ZINC000818355401 586888445 /nfs/dbraw/zinc/88/84/45/586888445.db2.gz FARJWRPZXRGQGN-DUFXMDAXSA-N 0 3 248.370 3.385 20 0 BGADHN CCc1noc(C)c1[C@@H](C)N[C@@H]1C[C@H]1C1CCC1 ZINC000818355402 586888576 /nfs/dbraw/zinc/88/85/76/586888576.db2.gz FARJWRPZXRGQGN-LJWDBELGSA-N 0 3 248.370 3.385 20 0 BGADHN CCOc1cccc([C@@H](C)N[C@@H]2CC23CC3)c1 ZINC000818356456 586888895 /nfs/dbraw/zinc/88/88/95/586888895.db2.gz JOVLFQJKIXZMHW-BXUZGUMPSA-N 0 3 231.339 3.288 20 0 BGADHN CCOc1cccc([C@H](C)N[C@H]2CC23CC3)c1 ZINC000818356457 586888659 /nfs/dbraw/zinc/88/86/59/586888659.db2.gz JOVLFQJKIXZMHW-FZMZJTMJSA-N 0 3 231.339 3.288 20 0 BGADHN CCOc1cccc([C@@H](C)N[C@H]2CC23CC3)c1 ZINC000818356458 586889125 /nfs/dbraw/zinc/88/91/25/586889125.db2.gz JOVLFQJKIXZMHW-RISCZKNCSA-N 0 3 231.339 3.288 20 0 BGADHN CCOc1cccc([C@H](C)N[C@@H]2CC23CC3)c1 ZINC000818356460 586889048 /nfs/dbraw/zinc/88/90/48/586889048.db2.gz JOVLFQJKIXZMHW-SMDDNHRTSA-N 0 3 231.339 3.288 20 0 BGADHN C[C@@H](N[C@@H]1C[C@H]2C[C@H]2C1)c1cccnc1Cl ZINC000818359284 586889178 /nfs/dbraw/zinc/88/91/78/586889178.db2.gz IGCLRAGZJRLMJR-CHWFTXMASA-N 0 3 236.746 3.184 20 0 BGADHN C[C@H](N[C@@H]1C[C@H]2C[C@H]2C1)c1cccnc1Cl ZINC000818359289 586888913 /nfs/dbraw/zinc/88/89/13/586888913.db2.gz IGCLRAGZJRLMJR-MMWGEVLESA-N 0 3 236.746 3.184 20 0 BGADHN CCC/C(C)=C\C(=O)Nc1ccccc1CNC ZINC000818560166 586901631 /nfs/dbraw/zinc/90/16/31/586901631.db2.gz APFYCXPJEYXCHH-BENRWUELSA-N 0 3 246.354 3.091 20 0 BGADHN CCC/C(C)=C/C(=O)Nc1ccccc1CNC ZINC000818560167 586901366 /nfs/dbraw/zinc/90/13/66/586901366.db2.gz APFYCXPJEYXCHH-ZRDIBKRKSA-N 0 3 246.354 3.091 20 0 BGADHN CCC/C(C)=C/C(=O)Nc1cccc(CNC)c1 ZINC000818561112 586901545 /nfs/dbraw/zinc/90/15/45/586901545.db2.gz GFTLQYPRQMEKHG-FMIVXFBMSA-N 0 3 246.354 3.091 20 0 BGADHN CCC/C(C)=C\C(=O)Nc1cccc(CNC)c1 ZINC000818561113 586901395 /nfs/dbraw/zinc/90/13/95/586901395.db2.gz GFTLQYPRQMEKHG-XFXZXTDPSA-N 0 3 246.354 3.091 20 0 BGADHN CCC(=CC(=O)Nc1cccc(CNC)c1)CC ZINC000818561254 586901294 /nfs/dbraw/zinc/90/12/94/586901294.db2.gz YRPWOKAAWHFWOR-UHFFFAOYSA-N 0 3 246.354 3.091 20 0 BGADHN CCCCCC[C@H](O)CNCc1ccoc1C ZINC000818969823 586918409 /nfs/dbraw/zinc/91/84/09/586918409.db2.gz JCRNIOBDGISOIJ-AWEZNQCLSA-N 0 3 239.359 3.009 20 0 BGADHN CCCCCC[C@H](O)CNCc1occc1C ZINC000819327924 586952609 /nfs/dbraw/zinc/95/26/09/586952609.db2.gz JNUBNUWGMDWNFE-ZDUSSCGKSA-N 0 3 239.359 3.009 20 0 BGADHN CSC(C)(C)CCN(C)Cc1ccncc1 ZINC000820881261 587079723 /nfs/dbraw/zinc/07/97/23/587079723.db2.gz VCPIHQTUBPHLAG-UHFFFAOYSA-N 0 3 238.400 3.045 20 0 BGADHN CSC(C)(C)CCN(C)Cc1ccccn1 ZINC000820881342 587079701 /nfs/dbraw/zinc/07/97/01/587079701.db2.gz XJMZRWXPKCJDKO-UHFFFAOYSA-N 0 3 238.400 3.045 20 0 BGADHN CC(C)n1cncc1CN1CCCCCCC1 ZINC000822438126 587168250 /nfs/dbraw/zinc/16/82/50/587168250.db2.gz DYNSNXHHGGFELD-UHFFFAOYSA-N 0 3 235.375 3.230 20 0 BGADHN CC(C)n1cncc1CN1CCC2(CCCC2)C1 ZINC000822443470 587168462 /nfs/dbraw/zinc/16/84/62/587168462.db2.gz URSSBXSVZOAJFK-UHFFFAOYSA-N 0 3 247.386 3.230 20 0 BGADHN CS[C@@H]1CC[C@H]1NCc1c(C)cccc1F ZINC000822463319 587169622 /nfs/dbraw/zinc/16/96/22/587169622.db2.gz GDKWGXALJROQOF-CHWSQXEVSA-N 0 3 239.359 3.118 20 0 BGADHN CS[C@H]1CC[C@H]1NCc1c(C)cccc1F ZINC000822463321 587169924 /nfs/dbraw/zinc/16/99/24/587169924.db2.gz GDKWGXALJROQOF-OLZOCXBDSA-N 0 3 239.359 3.118 20 0 BGADHN CS[C@@H]1CC[C@@H]1NCc1c(C)cccc1F ZINC000822463323 587169835 /nfs/dbraw/zinc/16/98/35/587169835.db2.gz GDKWGXALJROQOF-QWHCGFSZSA-N 0 3 239.359 3.118 20 0 BGADHN CS[C@H]1CC[C@@H]1NCc1c(C)cccc1F ZINC000822463324 587169828 /nfs/dbraw/zinc/16/98/28/587169828.db2.gz GDKWGXALJROQOF-STQMWFEESA-N 0 3 239.359 3.118 20 0 BGADHN CC/C(C)=C\C(=O)Nc1ccccc1CN(C)C ZINC000822469929 587170168 /nfs/dbraw/zinc/17/01/68/587170168.db2.gz SPBSYMCYOKQRPR-BENRWUELSA-N 0 3 246.354 3.043 20 0 BGADHN CC/C(C)=C/C(=O)Nc1ccccc1CN(C)C ZINC000822469930 587170081 /nfs/dbraw/zinc/17/00/81/587170081.db2.gz SPBSYMCYOKQRPR-ZRDIBKRKSA-N 0 3 246.354 3.043 20 0 BGADHN CN(CC[C@@H]1CC1(Cl)Cl)Cc1ccco1 ZINC000822571189 587175385 /nfs/dbraw/zinc/17/53/85/587175385.db2.gz YTRSKDNUZDBRGT-SECBINFHSA-N 0 3 248.153 3.295 20 0 BGADHN CN(CC[C@H]1CC1(Cl)Cl)Cc1ccco1 ZINC000822571190 587175380 /nfs/dbraw/zinc/17/53/80/587175380.db2.gz YTRSKDNUZDBRGT-VIFPVBQESA-N 0 3 248.153 3.295 20 0 BGADHN C[C@@H]1CCCN(CC[C@@H]2CC2(Cl)Cl)C1 ZINC000822575473 587175906 /nfs/dbraw/zinc/17/59/06/587175906.db2.gz QVXQCZCIAZUHAC-NXEZZACHSA-N 0 3 236.186 3.302 20 0 BGADHN C[C@H]1CCCN(CC[C@H]2CC2(Cl)Cl)C1 ZINC000822575474 587175816 /nfs/dbraw/zinc/17/58/16/587175816.db2.gz QVXQCZCIAZUHAC-UWVGGRQHSA-N 0 3 236.186 3.302 20 0 BGADHN C[C@H]1CCCN(CC[C@@H]2CC2(Cl)Cl)C1 ZINC000822575475 587176095 /nfs/dbraw/zinc/17/60/95/587176095.db2.gz QVXQCZCIAZUHAC-VHSXEESVSA-N 0 3 236.186 3.302 20 0 BGADHN C[C@@H]1CCCN(CC[C@H]2CC2(Cl)Cl)C1 ZINC000822575476 587176080 /nfs/dbraw/zinc/17/60/80/587176080.db2.gz QVXQCZCIAZUHAC-ZJUUUORDSA-N 0 3 236.186 3.302 20 0 BGADHN CC1CCN(CC[C@H]2CC2(Cl)Cl)CC1 ZINC000822575642 587176033 /nfs/dbraw/zinc/17/60/33/587176033.db2.gz UPSVGZYOGARHOL-JTQLQIEISA-N 0 3 236.186 3.302 20 0 BGADHN CC1CCN(CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000822575643 587176221 /nfs/dbraw/zinc/17/62/21/587176221.db2.gz UPSVGZYOGARHOL-SNVBAGLBSA-N 0 3 236.186 3.302 20 0 BGADHN C[C@@H]1CCCCN1CC[C@@H]1CC1(Cl)Cl ZINC000822575670 587176067 /nfs/dbraw/zinc/17/60/67/587176067.db2.gz VOKUETJLVJLUDI-NXEZZACHSA-N 0 3 236.186 3.445 20 0 BGADHN C[C@H]1CCCCN1CC[C@H]1CC1(Cl)Cl ZINC000822575671 587175760 /nfs/dbraw/zinc/17/57/60/587175760.db2.gz VOKUETJLVJLUDI-UWVGGRQHSA-N 0 3 236.186 3.445 20 0 BGADHN C[C@H]1CCCCN1CC[C@@H]1CC1(Cl)Cl ZINC000822575672 587176085 /nfs/dbraw/zinc/17/60/85/587176085.db2.gz VOKUETJLVJLUDI-VHSXEESVSA-N 0 3 236.186 3.445 20 0 BGADHN C[C@@H]1CCCCN1CC[C@H]1CC1(Cl)Cl ZINC000822575673 587175954 /nfs/dbraw/zinc/17/59/54/587175954.db2.gz VOKUETJLVJLUDI-ZJUUUORDSA-N 0 3 236.186 3.445 20 0 BGADHN ClC1(Cl)C[C@@H]1CCN1C2CCC1CC2 ZINC000822579521 587175943 /nfs/dbraw/zinc/17/59/43/587175943.db2.gz DNDYDVFOOKFBET-IDKOKCKLSA-N 0 3 234.170 3.197 20 0 BGADHN ClC1(Cl)C[C@H]1CCN1C2CCC1CC2 ZINC000822579522 587176178 /nfs/dbraw/zinc/17/61/78/587176178.db2.gz DNDYDVFOOKFBET-XNWIYYODSA-N 0 3 234.170 3.197 20 0 BGADHN CN(CC[C@H]1CC1(Cl)Cl)Cc1ccoc1 ZINC000822588465 587176292 /nfs/dbraw/zinc/17/62/92/587176292.db2.gz UYBJDXGUZLOYFX-JTQLQIEISA-N 0 3 248.153 3.295 20 0 BGADHN CN(CC[C@@H]1CC1(Cl)Cl)Cc1ccoc1 ZINC000822588466 587176419 /nfs/dbraw/zinc/17/64/19/587176419.db2.gz UYBJDXGUZLOYFX-SNVBAGLBSA-N 0 3 248.153 3.295 20 0 BGADHN CC1(C)CCN(CC[C@@H]2CC2(Cl)Cl)C1 ZINC000822654801 587179293 /nfs/dbraw/zinc/17/92/93/587179293.db2.gz QIRLIFOGVSHZMT-SECBINFHSA-N 0 3 236.186 3.302 20 0 BGADHN CC1(C)CCN(CC[C@H]2CC2(Cl)Cl)C1 ZINC000822654802 587179218 /nfs/dbraw/zinc/17/92/18/587179218.db2.gz QIRLIFOGVSHZMT-VIFPVBQESA-N 0 3 236.186 3.302 20 0 BGADHN CC1=CCN(CC[C@H]2CC2(Cl)Cl)CC1 ZINC000822780821 587185305 /nfs/dbraw/zinc/18/53/05/587185305.db2.gz WAEBOMGCCLILOS-JTQLQIEISA-N 0 3 234.170 3.222 20 0 BGADHN CC1=CCN(CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000822780822 587184517 /nfs/dbraw/zinc/18/45/17/587184517.db2.gz WAEBOMGCCLILOS-SNVBAGLBSA-N 0 3 234.170 3.222 20 0 BGADHN ClC1(Cl)C[C@@H]1CCN1CCCC2(CC2)C1 ZINC000822861345 587189846 /nfs/dbraw/zinc/18/98/46/587189846.db2.gz CFRUZCRYARCJLM-JTQLQIEISA-N 0 3 248.197 3.446 20 0 BGADHN ClC1(Cl)C[C@H]1CCN1CCCC2(CC2)C1 ZINC000822861346 587189958 /nfs/dbraw/zinc/18/99/58/587189958.db2.gz CFRUZCRYARCJLM-SNVBAGLBSA-N 0 3 248.197 3.446 20 0 BGADHN C[C@@H]1C[C@@H](C)N1CC[C@H]1CC1(Cl)Cl ZINC000822985776 587196718 /nfs/dbraw/zinc/19/67/18/587196718.db2.gz QSWRFNORFZILDG-HLTSFMKQSA-N 0 3 222.159 3.053 20 0 BGADHN C[C@@H]1C[C@H](C)N1CC[C@@H]1CC1(Cl)Cl ZINC000822985777 587196895 /nfs/dbraw/zinc/19/68/95/587196895.db2.gz QSWRFNORFZILDG-HRDYMLBCSA-N 0 3 222.159 3.053 20 0 BGADHN C[C@@H]1C[C@@H](C)N1CC[C@@H]1CC1(Cl)Cl ZINC000822985778 587196797 /nfs/dbraw/zinc/19/67/97/587196797.db2.gz QSWRFNORFZILDG-IWSPIJDZSA-N 0 3 222.159 3.053 20 0 BGADHN C[C@@H]1C[C@H](C)N1CC[C@H]1CC1(Cl)Cl ZINC000822985779 587196788 /nfs/dbraw/zinc/19/67/88/587196788.db2.gz QSWRFNORFZILDG-YIZRAAEISA-N 0 3 222.159 3.053 20 0 BGADHN CC1=C[C@H](C)CN(CC[C@@H]2CC2(Cl)Cl)C1 ZINC000822996713 587197380 /nfs/dbraw/zinc/19/73/80/587197380.db2.gz PVWCFLUYNUTLQM-GXSJLCMTSA-N 0 3 248.197 3.468 20 0 BGADHN CC1=C[C@@H](C)CN(CC[C@H]2CC2(Cl)Cl)C1 ZINC000822996715 587197109 /nfs/dbraw/zinc/19/71/09/587197109.db2.gz PVWCFLUYNUTLQM-KOLCDFICSA-N 0 3 248.197 3.468 20 0 BGADHN CC1=C[C@@H](C)CN(CC[C@@H]2CC2(Cl)Cl)C1 ZINC000822996717 587197201 /nfs/dbraw/zinc/19/72/01/587197201.db2.gz PVWCFLUYNUTLQM-MWLCHTKSSA-N 0 3 248.197 3.468 20 0 BGADHN CC1=C[C@H](C)CN(CC[C@H]2CC2(Cl)Cl)C1 ZINC000822996853 587197266 /nfs/dbraw/zinc/19/72/66/587197266.db2.gz PVWCFLUYNUTLQM-ONGXEEELSA-N 0 3 248.197 3.468 20 0 BGADHN CC1=CCCN(CC[C@H]2CC2(Cl)Cl)C1 ZINC000822997789 587197014 /nfs/dbraw/zinc/19/70/14/587197014.db2.gz ZXSGJUJCIJKZTK-JTQLQIEISA-N 0 3 234.170 3.222 20 0 BGADHN CC1=CCCN(CC[C@@H]2CC2(Cl)Cl)C1 ZINC000822997790 587197032 /nfs/dbraw/zinc/19/70/32/587197032.db2.gz ZXSGJUJCIJKZTK-SNVBAGLBSA-N 0 3 234.170 3.222 20 0 BGADHN CC(C)CN(Cc1cc(F)ncc1F)C(C)C ZINC000823408646 587220429 /nfs/dbraw/zinc/22/04/29/587220429.db2.gz OYWGLYZNCSBXNA-UHFFFAOYSA-N 0 3 242.313 3.226 20 0 BGADHN C[C@@H]1CCN(C[C@@H]2CC2(Cl)Cl)[C@H](C)C1 ZINC000823516078 587228565 /nfs/dbraw/zinc/22/85/65/587228565.db2.gz XQERLJGTQHYQOK-BBBLOLIVSA-N 0 3 236.186 3.301 20 0 BGADHN C[C@@H]1CCN(C[C@H]2CC2(Cl)Cl)[C@H](C)C1 ZINC000823516079 587228684 /nfs/dbraw/zinc/22/86/84/587228684.db2.gz XQERLJGTQHYQOK-OPRDCNLKSA-N 0 3 236.186 3.301 20 0 BGADHN Fc1c(CNC2CCCCC2)ccnc1Cl ZINC000823568536 587231575 /nfs/dbraw/zinc/23/15/75/587231575.db2.gz BSWKQFYCQOIQNO-UHFFFAOYSA-N 0 3 242.725 3.296 20 0 BGADHN Fc1cnccc1CNC1CCCCCCC1 ZINC000823578604 587232159 /nfs/dbraw/zinc/23/21/59/587232159.db2.gz GCCVHDLTSVAYKU-UHFFFAOYSA-N 0 3 236.334 3.423 20 0 BGADHN CCC(CC)NCc1ccnc(Cl)c1F ZINC000823579105 587232093 /nfs/dbraw/zinc/23/20/93/587232093.db2.gz LPNSPIWUZCEBQP-UHFFFAOYSA-N 0 3 230.714 3.152 20 0 BGADHN CC(C)CCNCc1ccnc(Cl)c1F ZINC000823584104 587232240 /nfs/dbraw/zinc/23/22/40/587232240.db2.gz AFFPPFPCEBMXEV-UHFFFAOYSA-N 0 3 230.714 3.010 20 0 BGADHN CCCCCCNCc1cc(F)ncc1F ZINC000823584115 587232087 /nfs/dbraw/zinc/23/20/87/587232087.db2.gz AQAOSYAEJGORLK-UHFFFAOYSA-N 0 3 228.286 3.030 20 0 BGADHN CCCCCNCc1ccnc(Cl)c1F ZINC000823584652 587231962 /nfs/dbraw/zinc/23/19/62/587231962.db2.gz KNMSOKOXEZIEFM-UHFFFAOYSA-N 0 3 230.714 3.154 20 0 BGADHN CCCCC[C@@H](C)NCc1ccncc1F ZINC000823608947 587232761 /nfs/dbraw/zinc/23/27/61/587232761.db2.gz MNXDGEASOKRONC-LLVKDONJSA-N 0 3 224.323 3.279 20 0 BGADHN CCCCC[C@H](C)NCc1ccncc1F ZINC000823608948 587232632 /nfs/dbraw/zinc/23/26/32/587232632.db2.gz MNXDGEASOKRONC-NSHDSACASA-N 0 3 224.323 3.279 20 0 BGADHN CC(C)CCCNCc1ccnc(Cl)c1F ZINC000823624809 587233086 /nfs/dbraw/zinc/23/30/86/587233086.db2.gz GOMKBCPFDKVQMQ-UHFFFAOYSA-N 0 3 244.741 3.400 20 0 BGADHN Fc1c(CNCC2CCCC2)ccnc1Cl ZINC000823625533 587233279 /nfs/dbraw/zinc/23/32/79/587233279.db2.gz XMPHLLMSHGQGSY-UHFFFAOYSA-N 0 3 242.725 3.154 20 0 BGADHN CC(C)(C)CCNCc1ccnc(Cl)c1F ZINC000823630544 587233357 /nfs/dbraw/zinc/23/33/57/587233357.db2.gz LLIYRSBOEXXJIX-UHFFFAOYSA-N 0 3 244.741 3.400 20 0 BGADHN CC1(C)C[C@H](c2ccccc2)N(CCF)C1 ZINC000823643537 587233798 /nfs/dbraw/zinc/23/37/98/587233798.db2.gz PXJICXJJUVBGJW-CYBMUJFWSA-N 0 3 221.319 3.429 20 0 BGADHN CC1(C)C[C@@H](c2ccccc2)N(CCF)C1 ZINC000823643556 587233816 /nfs/dbraw/zinc/23/38/16/587233816.db2.gz PXJICXJJUVBGJW-ZDUSSCGKSA-N 0 3 221.319 3.429 20 0 BGADHN C[C@H](CNCc1ccnc(Cl)c1F)C1CC1 ZINC000823701649 587237124 /nfs/dbraw/zinc/23/71/24/587237124.db2.gz FIAVDKBWZKDFQN-MRVPVSSYSA-N 0 3 242.725 3.010 20 0 BGADHN C[C@@H](CNCc1ccnc(Cl)c1F)C1CC1 ZINC000823701650 587237094 /nfs/dbraw/zinc/23/70/94/587237094.db2.gz FIAVDKBWZKDFQN-QMMMGPOBSA-N 0 3 242.725 3.010 20 0 BGADHN CC[C@@H](C)[C@@H](C)NCc1ccnc(Cl)c1F ZINC000823709076 587236938 /nfs/dbraw/zinc/23/69/38/587236938.db2.gz JACIDDQZAGIYCK-RKDXNWHRSA-N 0 3 244.741 3.398 20 0 BGADHN C[C@@H](NCc1ccnc(Cl)c1F)C1(C)CC1 ZINC000823716956 587237858 /nfs/dbraw/zinc/23/78/58/587237858.db2.gz YFFAISISCKVGLG-MRVPVSSYSA-N 0 3 242.725 3.152 20 0 BGADHN C[C@H](NCc1ccnc(Cl)c1F)C1(C)CC1 ZINC000823716957 587237827 /nfs/dbraw/zinc/23/78/27/587237827.db2.gz YFFAISISCKVGLG-QMMMGPOBSA-N 0 3 242.725 3.152 20 0 BGADHN CCC(C)(C)NCc1ccnc(Cl)c1F ZINC000823747749 587239128 /nfs/dbraw/zinc/23/91/28/587239128.db2.gz JQRZSTIIRNASIG-UHFFFAOYSA-N 0 3 230.714 3.152 20 0 BGADHN CC(C)C(C)(C)NCc1ccnc(Cl)c1F ZINC000823789410 587240721 /nfs/dbraw/zinc/24/07/21/587240721.db2.gz LXDDEJVERYZRGV-UHFFFAOYSA-N 0 3 244.741 3.398 20 0 BGADHN C[C@@H]1CCC[C@H]1NCc1ccnc(Cl)c1F ZINC000823830884 587241791 /nfs/dbraw/zinc/24/17/91/587241791.db2.gz IEVXNRPGJPVJRX-PSASIEDQSA-N 0 3 242.725 3.152 20 0 BGADHN C[C@@H]1CCC[C@@H]1NCc1ccnc(Cl)c1F ZINC000823830885 587241601 /nfs/dbraw/zinc/24/16/01/587241601.db2.gz IEVXNRPGJPVJRX-SCZZXKLOSA-N 0 3 242.725 3.152 20 0 BGADHN C[C@H]1CCC[C@H]1NCc1ccnc(Cl)c1F ZINC000823830886 587241702 /nfs/dbraw/zinc/24/17/02/587241702.db2.gz IEVXNRPGJPVJRX-WCBMZHEXSA-N 0 3 242.725 3.152 20 0 BGADHN C[C@H]1CCC[C@@H]1NCc1ccnc(Cl)c1F ZINC000823830887 587241638 /nfs/dbraw/zinc/24/16/38/587241638.db2.gz IEVXNRPGJPVJRX-WPRPVWTQSA-N 0 3 242.725 3.152 20 0 BGADHN CC1(C)C[C@@H]1CNCc1ccnc(Cl)c1F ZINC000823837800 587242326 /nfs/dbraw/zinc/24/23/26/587242326.db2.gz ZGOWJXLGLPCKJN-SECBINFHSA-N 0 3 242.725 3.010 20 0 BGADHN CC1(C)C[C@H]1CNCc1ccnc(Cl)c1F ZINC000823837801 587242226 /nfs/dbraw/zinc/24/22/26/587242226.db2.gz ZGOWJXLGLPCKJN-VIFPVBQESA-N 0 3 242.725 3.010 20 0 BGADHN CCC(C)(CC)NCc1cc(F)ncc1F ZINC000823866705 587244867 /nfs/dbraw/zinc/24/48/67/587244867.db2.gz MBKVAYNKAFIAQX-UHFFFAOYSA-N 0 3 228.286 3.028 20 0 BGADHN C[C@H](CNCc1cc(F)ncc1F)C(C)(C)C ZINC000823875979 587245190 /nfs/dbraw/zinc/24/51/90/587245190.db2.gz IPQXSEDXMSMQPF-SECBINFHSA-N 0 3 242.313 3.132 20 0 BGADHN C[C@@H](CNCc1cc(F)ncc1F)C(C)(C)C ZINC000823875980 587245202 /nfs/dbraw/zinc/24/52/02/587245202.db2.gz IPQXSEDXMSMQPF-VIFPVBQESA-N 0 3 242.313 3.132 20 0 BGADHN C[C@@H](NCc1cc(F)ncc1F)C1CCCC1 ZINC000823888140 587245559 /nfs/dbraw/zinc/24/55/59/587245559.db2.gz WFVPEQQCZGGMMZ-SECBINFHSA-N 0 3 240.297 3.028 20 0 BGADHN C[C@H](NCc1cc(F)ncc1F)C1CCCC1 ZINC000823888142 587245464 /nfs/dbraw/zinc/24/54/64/587245464.db2.gz WFVPEQQCZGGMMZ-VIFPVBQESA-N 0 3 240.297 3.028 20 0 BGADHN CC(C)(C)CCCNCc1cc(F)ncc1F ZINC000823893185 587245521 /nfs/dbraw/zinc/24/55/21/587245521.db2.gz VZTIBBHQEMJQAD-UHFFFAOYSA-N 0 3 242.313 3.276 20 0 BGADHN CC(C)CCCCNCc1cc(C2CC2)nn1C ZINC000823931359 587245934 /nfs/dbraw/zinc/24/59/34/587245934.db2.gz GYMRYDWQDLDISC-UHFFFAOYSA-N 0 3 249.402 3.213 20 0 BGADHN CCC1(CNCc2ccnc(Cl)c2F)CC1 ZINC000823966521 587247360 /nfs/dbraw/zinc/24/73/60/587247360.db2.gz SFVLZKSHQGKHJF-UHFFFAOYSA-N 0 3 242.725 3.154 20 0 BGADHN CC1(CNCc2ccnc(Cl)c2F)CCC1 ZINC000823966677 587247296 /nfs/dbraw/zinc/24/72/96/587247296.db2.gz ZMDWQIBTTOUWFH-UHFFFAOYSA-N 0 3 242.725 3.154 20 0 BGADHN CCC1(NCc2ccnc(Cl)c2F)CCC1 ZINC000823970542 587247323 /nfs/dbraw/zinc/24/73/23/587247323.db2.gz DXQDNAUDFYLPHD-UHFFFAOYSA-N 0 3 242.725 3.296 20 0 BGADHN CC(C)C(NCc1cc(F)ncc1F)C(C)C ZINC000824012374 587248290 /nfs/dbraw/zinc/24/82/90/587248290.db2.gz XSUVAHOOTKVGQD-UHFFFAOYSA-N 0 3 242.313 3.130 20 0 BGADHN Fc1c(CNCCC2CCC2)ccnc1Cl ZINC000824017580 587248561 /nfs/dbraw/zinc/24/85/61/587248561.db2.gz FCKIBKXJRPZBAC-UHFFFAOYSA-N 0 3 242.725 3.154 20 0 BGADHN CC(C)C[C@@H](C)NCc1ccnc(Cl)c1F ZINC000824023527 587249018 /nfs/dbraw/zinc/24/90/18/587249018.db2.gz UFUGTVVWBSGGGS-SECBINFHSA-N 0 3 244.741 3.398 20 0 BGADHN CC(C)C[C@H](C)NCc1ccnc(Cl)c1F ZINC000824023528 587248912 /nfs/dbraw/zinc/24/89/12/587248912.db2.gz UFUGTVVWBSGGGS-VIFPVBQESA-N 0 3 244.741 3.398 20 0 BGADHN C[C@@H](CC(C)(C)C)NCc1cccc(F)n1 ZINC000824027045 587248971 /nfs/dbraw/zinc/24/89/71/587248971.db2.gz CGFNSPQOTWLBAO-JTQLQIEISA-N 0 3 224.323 3.135 20 0 BGADHN C[C@H](CC(C)(C)C)NCc1cccc(F)n1 ZINC000824027046 587249065 /nfs/dbraw/zinc/24/90/65/587249065.db2.gz CGFNSPQOTWLBAO-SNVBAGLBSA-N 0 3 224.323 3.135 20 0 BGADHN Fc1cccc(CN[C@@H]2CCCC23CCC3)n1 ZINC000824027320 587249204 /nfs/dbraw/zinc/24/92/04/587249204.db2.gz IYEZZQIFBAFLLR-GFCCVEGCSA-N 0 3 234.318 3.033 20 0 BGADHN Fc1cccc(CN[C@H]2CCCC23CCC3)n1 ZINC000824027321 587249235 /nfs/dbraw/zinc/24/92/35/587249235.db2.gz IYEZZQIFBAFLLR-LBPRGKRZSA-N 0 3 234.318 3.033 20 0 BGADHN CC1(C)CC[C@H](NCc2cc(F)ncc2F)C1 ZINC000824032291 587249371 /nfs/dbraw/zinc/24/93/71/587249371.db2.gz PEILSHMTCVSWTQ-JTQLQIEISA-N 0 3 240.297 3.028 20 0 BGADHN CC1(C)CC[C@@H](NCc2cc(F)ncc2F)C1 ZINC000824032292 587249569 /nfs/dbraw/zinc/24/95/69/587249569.db2.gz PEILSHMTCVSWTQ-SNVBAGLBSA-N 0 3 240.297 3.028 20 0 BGADHN C[C@@H](NCc1ccnc(Cl)c1F)C1CCC1 ZINC000824050658 587251792 /nfs/dbraw/zinc/25/17/92/587251792.db2.gz JMKPMVVOJVFMQT-MRVPVSSYSA-N 0 3 242.725 3.152 20 0 BGADHN C[C@H](NCc1ccnc(Cl)c1F)C1CCC1 ZINC000824050659 587251858 /nfs/dbraw/zinc/25/18/58/587251858.db2.gz JMKPMVVOJVFMQT-QMMMGPOBSA-N 0 3 242.725 3.152 20 0 BGADHN COc1cc(F)cc(CN[C@@H](C)c2ccc[nH]2)c1 ZINC000824050667 587251930 /nfs/dbraw/zinc/25/19/30/587251930.db2.gz JXHLKTFRWAAZBT-JTQLQIEISA-N 0 3 248.301 3.013 20 0 BGADHN COc1cc(F)cc(CN[C@H](C)c2ccc[nH]2)c1 ZINC000824050668 587251640 /nfs/dbraw/zinc/25/16/40/587251640.db2.gz JXHLKTFRWAAZBT-SNVBAGLBSA-N 0 3 248.301 3.013 20 0 BGADHN Cc1cc(CN[C@@H](C)c2ccc[nH]2)cs1 ZINC000824051186 587251718 /nfs/dbraw/zinc/25/17/18/587251718.db2.gz SXUUWUWABJGDPG-JTQLQIEISA-N 0 3 220.341 3.235 20 0 BGADHN Cc1cc(CN[C@H](C)c2ccc[nH]2)cs1 ZINC000824051191 587251898 /nfs/dbraw/zinc/25/18/98/587251898.db2.gz SXUUWUWABJGDPG-SNVBAGLBSA-N 0 3 220.341 3.235 20 0 BGADHN C[C@H](CCC1CC1)NCc1cc(F)ncc1F ZINC000824180912 587259999 /nfs/dbraw/zinc/25/99/99/587259999.db2.gz IBQHBZPAFDAUMU-SECBINFHSA-N 0 3 240.297 3.028 20 0 BGADHN C[C@@H](CCC1CC1)NCc1cc(F)ncc1F ZINC000824180913 587259715 /nfs/dbraw/zinc/25/97/15/587259715.db2.gz IBQHBZPAFDAUMU-VIFPVBQESA-N 0 3 240.297 3.028 20 0 BGADHN CC(C)=CCCNCc1ccnc(Cl)c1F ZINC000824282589 587264556 /nfs/dbraw/zinc/26/45/56/587264556.db2.gz ZXRAFTUNKHLUQC-UHFFFAOYSA-N 0 3 242.725 3.320 20 0 BGADHN CCC(C)(C)CNCc1ccnc(Cl)c1F ZINC000824287446 587264816 /nfs/dbraw/zinc/26/48/16/587264816.db2.gz QSVFUJFERFWXIH-UHFFFAOYSA-N 0 3 244.741 3.400 20 0 BGADHN CC1(CCNCc2ccnc(Cl)c2F)CC1 ZINC000824308317 587265671 /nfs/dbraw/zinc/26/56/71/587265671.db2.gz YJVSFOGJGPYDHT-UHFFFAOYSA-N 0 3 242.725 3.154 20 0 BGADHN Fc1ncccc1CN[C@@H]1CCCC12CCC2 ZINC000824313593 587266037 /nfs/dbraw/zinc/26/60/37/587266037.db2.gz BMHOLQGFPWYYRQ-GFCCVEGCSA-N 0 3 234.318 3.033 20 0 BGADHN Fc1ncccc1CN[C@H]1CCCC12CCC2 ZINC000824313594 587265876 /nfs/dbraw/zinc/26/58/76/587265876.db2.gz BMHOLQGFPWYYRQ-LBPRGKRZSA-N 0 3 234.318 3.033 20 0 BGADHN C[C@@H]1CC[C@H](C)[C@@H](NCc2cccnc2F)C1 ZINC000824314392 587265970 /nfs/dbraw/zinc/26/59/70/587265970.db2.gz JYVGTWOKIUBVHE-MDZLAQPJSA-N 0 3 236.334 3.135 20 0 BGADHN C[C@@H]1CC[C@@H](C)[C@H](NCc2cccnc2F)C1 ZINC000824314393 587265872 /nfs/dbraw/zinc/26/58/72/587265872.db2.gz JYVGTWOKIUBVHE-NQBHXWOUSA-N 0 3 236.334 3.135 20 0 BGADHN C[C@@H]1CC[C@H](C)[C@H](NCc2cccnc2F)C1 ZINC000824314394 587265742 /nfs/dbraw/zinc/26/57/42/587265742.db2.gz JYVGTWOKIUBVHE-NTZNESFSSA-N 0 3 236.334 3.135 20 0 BGADHN C[C@@H]1CC[C@@H](C)[C@@H](NCc2cccnc2F)C1 ZINC000824314395 587265983 /nfs/dbraw/zinc/26/59/83/587265983.db2.gz JYVGTWOKIUBVHE-WZRBSPASSA-N 0 3 236.334 3.135 20 0 BGADHN CC[C@@H](NCc1cccnc1F)C1CCCC1 ZINC000824314957 587265475 /nfs/dbraw/zinc/26/54/75/587265475.db2.gz PRVJTSQFSFFVKX-CYBMUJFWSA-N 0 3 236.334 3.279 20 0 BGADHN CC[C@H](NCc1cccnc1F)C1CCCC1 ZINC000824314958 587265383 /nfs/dbraw/zinc/26/53/83/587265383.db2.gz PRVJTSQFSFFVKX-ZDUSSCGKSA-N 0 3 236.334 3.279 20 0 BGADHN CC1(C)CC[C@H]1NCc1ccnc(Cl)c1F ZINC000824383299 587268570 /nfs/dbraw/zinc/26/85/70/587268570.db2.gz LUSTXLCIUPHWKY-SECBINFHSA-N 0 3 242.725 3.152 20 0 BGADHN CC1(C)CC[C@@H]1NCc1ccnc(Cl)c1F ZINC000824383301 587268783 /nfs/dbraw/zinc/26/87/83/587268783.db2.gz LUSTXLCIUPHWKY-VIFPVBQESA-N 0 3 242.725 3.152 20 0 BGADHN CC(C)(C)C(C)(C)NCc1cc(F)ncc1F ZINC000824433404 587270655 /nfs/dbraw/zinc/27/06/55/587270655.db2.gz LNDORSAGXMFOHN-UHFFFAOYSA-N 0 3 242.313 3.274 20 0 BGADHN CC(C)C1(NCc2ccnc(Cl)c2F)CC1 ZINC000824439459 645055387 /nfs/dbraw/zinc/05/53/87/645055387.db2.gz KZAKMNXSUAWXLV-UHFFFAOYSA-N 0 3 242.725 3.152 20 0 BGADHN C[C@]1(F)CCCN([C@@H]2CCc3ccccc32)C1 ZINC000824472774 587271281 /nfs/dbraw/zinc/27/12/81/587271281.db2.gz YCIBTFQBHISZLM-CABCVRRESA-N 0 3 233.330 3.498 20 0 BGADHN C[C@]1(F)CCCN([C@H]2CCc3ccccc32)C1 ZINC000824472778 587271298 /nfs/dbraw/zinc/27/12/98/587271298.db2.gz YCIBTFQBHISZLM-GJZGRUSLSA-N 0 3 233.330 3.498 20 0 BGADHN C[C@@]1(F)CCCN([C@@H]2CCc3ccccc32)C1 ZINC000824472781 587271477 /nfs/dbraw/zinc/27/14/77/587271477.db2.gz YCIBTFQBHISZLM-HUUCEWRRSA-N 0 3 233.330 3.498 20 0 BGADHN C[C@@]1(F)CCCN([C@H]2CCc3ccccc32)C1 ZINC000824472783 587271160 /nfs/dbraw/zinc/27/11/60/587271160.db2.gz YCIBTFQBHISZLM-LSDHHAIUSA-N 0 3 233.330 3.498 20 0 BGADHN Cc1cc(CNCCC(C)(F)F)c(C)o1 ZINC000824483062 587271435 /nfs/dbraw/zinc/27/14/35/587271435.db2.gz GPFKDWSZGHGGPY-UHFFFAOYSA-N 0 3 217.259 3.031 20 0 BGADHN Cc1cc(CNCCC(C)(F)F)cnc1Cl ZINC000824483425 587271571 /nfs/dbraw/zinc/27/15/71/587271571.db2.gz MKLNHGLKFJIIEO-UHFFFAOYSA-N 0 3 248.704 3.178 20 0 BGADHN c1cc(CN2CCCCCCC2)n(CC2CC2)n1 ZINC000824490689 587271778 /nfs/dbraw/zinc/27/17/78/587271778.db2.gz IGZHERBZGMKYTK-UHFFFAOYSA-N 0 3 247.386 3.059 20 0 BGADHN Cn1ncc(C2CC2)c1CN1CCCCCCC1 ZINC000824491004 587271879 /nfs/dbraw/zinc/27/18/79/587271879.db2.gz LCGIQNJTOXZAOJ-UHFFFAOYSA-N 0 3 247.386 3.064 20 0 BGADHN CCCn1nccc1CN1CCCCCCC1 ZINC000824491118 587271928 /nfs/dbraw/zinc/27/19/28/587271928.db2.gz MLGABIAHRXTJBK-UHFFFAOYSA-N 0 3 235.375 3.059 20 0 BGADHN CC[C@@H]1CCC[C@H](CN[C@@H]2CCn3ccnc32)C1 ZINC000824525406 587273015 /nfs/dbraw/zinc/27/30/15/587273015.db2.gz AACYAGHEGJWIGS-HZSPNIEDSA-N 0 3 247.386 3.134 20 0 BGADHN CC[C@@H]1CCC[C@@H](CN[C@H]2CCn3ccnc32)C1 ZINC000824525407 587273057 /nfs/dbraw/zinc/27/30/57/587273057.db2.gz AACYAGHEGJWIGS-MCIONIFRSA-N 0 3 247.386 3.134 20 0 BGADHN CC[C@@H]1CCC[C@@H](CN[C@@H]2CCn3ccnc32)C1 ZINC000824525408 587273190 /nfs/dbraw/zinc/27/31/90/587273190.db2.gz AACYAGHEGJWIGS-MGPQQGTHSA-N 0 3 247.386 3.134 20 0 BGADHN CC[C@@H]1CCC[C@H](CN[C@H]2CCn3ccnc32)C1 ZINC000824525409 587273153 /nfs/dbraw/zinc/27/31/53/587273153.db2.gz AACYAGHEGJWIGS-RDBSUJKOSA-N 0 3 247.386 3.134 20 0 BGADHN CC[C@H](C)C[C@H](CC)N[C@H]1CCn2ccnc21 ZINC000824525524 587273151 /nfs/dbraw/zinc/27/31/51/587273151.db2.gz BBIUGUSNGAGRJO-AVGNSLFASA-N 0 3 235.375 3.132 20 0 BGADHN CC[C@H](C)C[C@H](CC)N[C@@H]1CCn2ccnc21 ZINC000824525525 587273295 /nfs/dbraw/zinc/27/32/95/587273295.db2.gz BBIUGUSNGAGRJO-RWMBFGLXSA-N 0 3 235.375 3.132 20 0 BGADHN CC[C@H](C[C@@H](C)CC)N[C@H]1CCn2ccnc21 ZINC000824525526 587273136 /nfs/dbraw/zinc/27/31/36/587273136.db2.gz BBIUGUSNGAGRJO-XQQFMLRXSA-N 0 3 235.375 3.132 20 0 BGADHN CC[C@H](C[C@@H](C)CC)N[C@@H]1CCn2ccnc21 ZINC000824525527 587273407 /nfs/dbraw/zinc/27/34/07/587273407.db2.gz BBIUGUSNGAGRJO-YNEHKIRRSA-N 0 3 235.375 3.132 20 0 BGADHN CCCC[C@H](C)[C@H](C)N[C@H]1CCn2ccnc21 ZINC000824525786 587273196 /nfs/dbraw/zinc/27/31/96/587273196.db2.gz DLQMHGIWEBRXJE-AVGNSLFASA-N 0 3 235.375 3.132 20 0 BGADHN CCCC[C@H](C)[C@H](C)N[C@@H]1CCn2ccnc21 ZINC000824525788 587273004 /nfs/dbraw/zinc/27/30/04/587273004.db2.gz DLQMHGIWEBRXJE-RWMBFGLXSA-N 0 3 235.375 3.132 20 0 BGADHN CCCC[C@H](C)[C@@H](C)N[C@H]1CCn2ccnc21 ZINC000824525790 587273039 /nfs/dbraw/zinc/27/30/39/587273039.db2.gz DLQMHGIWEBRXJE-XQQFMLRXSA-N 0 3 235.375 3.132 20 0 BGADHN CCCC[C@H](C)[C@@H](C)N[C@@H]1CCn2ccnc21 ZINC000824525792 587273142 /nfs/dbraw/zinc/27/31/42/587273142.db2.gz DLQMHGIWEBRXJE-YNEHKIRRSA-N 0 3 235.375 3.132 20 0 BGADHN c1cn2c(n1)[C@@H](NCCC1CCCCCC1)CC2 ZINC000824525870 587273404 /nfs/dbraw/zinc/27/34/04/587273404.db2.gz DYRLUSMKDUPKIV-AWEZNQCLSA-N 0 3 247.386 3.278 20 0 BGADHN c1cn2c(n1)[C@H](NCCC1CCCCCC1)CC2 ZINC000824525872 587273336 /nfs/dbraw/zinc/27/33/36/587273336.db2.gz DYRLUSMKDUPKIV-CQSZACIVSA-N 0 3 247.386 3.278 20 0 BGADHN c1cn2c(n1)[C@@H](NCC1CCCCCCC1)CC2 ZINC000824526016 587273061 /nfs/dbraw/zinc/27/30/61/587273061.db2.gz HDTQSXQNEOHRBY-AWEZNQCLSA-N 0 3 247.386 3.278 20 0 BGADHN c1cn2c(n1)[C@H](NCC1CCCCCCC1)CC2 ZINC000824526018 587273148 /nfs/dbraw/zinc/27/31/48/587273148.db2.gz HDTQSXQNEOHRBY-CQSZACIVSA-N 0 3 247.386 3.278 20 0 BGADHN C[C@@H](CCC1CCCC1)N[C@@H]1CCn2ccnc21 ZINC000824526558 587273754 /nfs/dbraw/zinc/27/37/54/587273754.db2.gz MZPYYYAXNIEITD-GXTWGEPZSA-N 0 3 247.386 3.276 20 0 BGADHN C[C@@H](CCC1CCCC1)N[C@H]1CCn2ccnc21 ZINC000824526559 587273579 /nfs/dbraw/zinc/27/35/79/587273579.db2.gz MZPYYYAXNIEITD-JSGCOSHPSA-N 0 3 247.386 3.276 20 0 BGADHN C[C@H](CCC1CCCC1)N[C@H]1CCn2ccnc21 ZINC000824526560 587273498 /nfs/dbraw/zinc/27/34/98/587273498.db2.gz MZPYYYAXNIEITD-OCCSQVGLSA-N 0 3 247.386 3.276 20 0 BGADHN C[C@H](CCC1CCCC1)N[C@@H]1CCn2ccnc21 ZINC000824526561 587273922 /nfs/dbraw/zinc/27/39/22/587273922.db2.gz MZPYYYAXNIEITD-TZMCWYRMSA-N 0 3 247.386 3.276 20 0 BGADHN CCC1(C)CCC(N[C@@H]2CCn3ccnc32)CC1 ZINC000824527429 587273621 /nfs/dbraw/zinc/27/36/21/587273621.db2.gz VYQWBMWRARJURD-JVWICGRDSA-N 0 3 247.386 3.276 20 0 BGADHN CCC1(C)CCC(N[C@H]2CCn3ccnc32)CC1 ZINC000824527430 587273685 /nfs/dbraw/zinc/27/36/85/587273685.db2.gz VYQWBMWRARJURD-OWYJLGKBSA-N 0 3 247.386 3.276 20 0 BGADHN CC(C)C[C@H](C)C[C@@H](C)N[C@@H]1CCn2ccnc21 ZINC000824527930 587273875 /nfs/dbraw/zinc/27/38/75/587273875.db2.gz YHMJJLYKSUWVFA-BFHYXJOUSA-N 0 3 249.402 3.378 20 0 BGADHN CC(C)C[C@H](C)C[C@H](C)N[C@H]1CCn2ccnc21 ZINC000824527932 587273928 /nfs/dbraw/zinc/27/39/28/587273928.db2.gz YHMJJLYKSUWVFA-IHRRRGAJSA-N 0 3 249.402 3.378 20 0 BGADHN CC(C)C[C@H](C)C[C@H](C)N[C@@H]1CCn2ccnc21 ZINC000824527933 587273681 /nfs/dbraw/zinc/27/36/81/587273681.db2.gz YHMJJLYKSUWVFA-MELADBBJSA-N 0 3 249.402 3.378 20 0 BGADHN CC(C)C[C@H](C)C[C@@H](C)N[C@H]1CCn2ccnc21 ZINC000824527935 587273491 /nfs/dbraw/zinc/27/34/91/587273491.db2.gz YHMJJLYKSUWVFA-MJBXVCDLSA-N 0 3 249.402 3.378 20 0 BGADHN CCCc1ccc(CN2CC3(CC3)C2)cc1 ZINC000824533247 587273912 /nfs/dbraw/zinc/27/39/12/587273912.db2.gz CGMFUTJCDUHYJK-UHFFFAOYSA-N 0 3 215.340 3.235 20 0 BGADHN CC(C)(CN1CC2(CC2)C1)c1ccccc1 ZINC000824533335 587273879 /nfs/dbraw/zinc/27/38/79/587273879.db2.gz DSDRILMRVFYULX-UHFFFAOYSA-N 0 3 215.340 3.060 20 0 BGADHN c1c2ccccc2sc1CN1CC2(CC2)C1 ZINC000824533401 587273556 /nfs/dbraw/zinc/27/35/56/587273556.db2.gz DZSMSYKKIMTVCE-UHFFFAOYSA-N 0 3 229.348 3.497 20 0 BGADHN c1cn2c(n1)[C@H](N[C@@H]1CCCC13CCCC3)CC2 ZINC000824533945 587274390 /nfs/dbraw/zinc/27/43/90/587274390.db2.gz UFQQBRUYCJWLJR-CHWSQXEVSA-N 0 3 245.370 3.030 20 0 BGADHN c1cn2c(n1)[C@H](N[C@H]1CCCC13CCCC3)CC2 ZINC000824533946 587274074 /nfs/dbraw/zinc/27/40/74/587274074.db2.gz UFQQBRUYCJWLJR-OLZOCXBDSA-N 0 3 245.370 3.030 20 0 BGADHN c1cn2c(n1)[C@@H](N[C@@H]1CCCC13CCCC3)CC2 ZINC000824533947 587274579 /nfs/dbraw/zinc/27/45/79/587274579.db2.gz UFQQBRUYCJWLJR-QWHCGFSZSA-N 0 3 245.370 3.030 20 0 BGADHN c1cn2c(n1)[C@@H](N[C@H]1CCCC13CCCC3)CC2 ZINC000824533948 587274716 /nfs/dbraw/zinc/27/47/16/587274716.db2.gz UFQQBRUYCJWLJR-STQMWFEESA-N 0 3 245.370 3.030 20 0 BGADHN C[C@@H](N[C@H]1CCn2ccnc21)[C@H]1CCCC[C@H]1C ZINC000824534020 587274649 /nfs/dbraw/zinc/27/46/49/587274649.db2.gz XMSPIZCITOVVNS-MQYQWHSLSA-N 0 3 247.386 3.132 20 0 BGADHN C[C@H](N[C@H]1CCn2ccnc21)[C@H]1CCCC[C@H]1C ZINC000824534021 587274482 /nfs/dbraw/zinc/27/44/82/587274482.db2.gz XMSPIZCITOVVNS-RFGFWPKPSA-N 0 3 247.386 3.132 20 0 BGADHN C[C@@H](N[C@@H]1CCn2ccnc21)[C@H]1CCCC[C@H]1C ZINC000824534022 587274204 /nfs/dbraw/zinc/27/42/04/587274204.db2.gz XMSPIZCITOVVNS-YIYPIFLZSA-N 0 3 247.386 3.132 20 0 BGADHN C[C@H](N[C@@H]1CCn2ccnc21)[C@H]1CCCC[C@H]1C ZINC000824534023 587274640 /nfs/dbraw/zinc/27/46/40/587274640.db2.gz XMSPIZCITOVVNS-ZOBORPQBSA-N 0 3 247.386 3.132 20 0 BGADHN c1ccc(C2CC2)c(CN2CC3(CC3)C2)c1 ZINC000824534044 587274644 /nfs/dbraw/zinc/27/46/44/587274644.db2.gz YEDAHBZDDMHZLR-UHFFFAOYSA-N 0 3 213.324 3.160 20 0 BGADHN Clc1ccc(CNCC2=CCCCC2)cn1 ZINC000824537222 585028817 /nfs/dbraw/zinc/02/88/17/585028817.db2.gz AHAMIESGNOITGE-UHFFFAOYSA-N 0 3 236.746 3.325 20 0 BGADHN C[C@H]1CCC[C@H]1NCc1cc(F)cnc1Cl ZINC000824537885 587274748 /nfs/dbraw/zinc/27/47/48/587274748.db2.gz JCMHOYAHKZQVAU-GZMMTYOYSA-N 0 3 242.725 3.152 20 0 BGADHN C[C@@H]1CCC[C@@H]1NCc1cc(F)cnc1Cl ZINC000824537886 587274810 /nfs/dbraw/zinc/27/48/10/587274810.db2.gz JCMHOYAHKZQVAU-KCJUWKMLSA-N 0 3 242.725 3.152 20 0 BGADHN C[C@H]1CCC[C@@H]1NCc1cc(F)cnc1Cl ZINC000824537887 587274794 /nfs/dbraw/zinc/27/47/94/587274794.db2.gz JCMHOYAHKZQVAU-KWQFWETISA-N 0 3 242.725 3.152 20 0 BGADHN C[C@@H]1CCC[C@H]1NCc1cc(F)cnc1Cl ZINC000824537888 587275138 /nfs/dbraw/zinc/27/51/38/587275138.db2.gz JCMHOYAHKZQVAU-LDYMZIIASA-N 0 3 242.725 3.152 20 0 BGADHN Cc1cc(CNCC2=CCCCC2)c(C)o1 ZINC000824539092 587275125 /nfs/dbraw/zinc/27/51/25/587275125.db2.gz XSCFZKRZCONKSV-UHFFFAOYSA-N 0 3 219.328 3.486 20 0 BGADHN C[C@@H](NCc1cc(F)cnc1Cl)C1CCC1 ZINC000824542789 587274769 /nfs/dbraw/zinc/27/47/69/587274769.db2.gz BDAUWNXBSRLCHK-MRVPVSSYSA-N 0 3 242.725 3.152 20 0 BGADHN C[C@H](NCc1cc(F)cnc1Cl)C1CCC1 ZINC000824542790 587275113 /nfs/dbraw/zinc/27/51/13/587275113.db2.gz BDAUWNXBSRLCHK-QMMMGPOBSA-N 0 3 242.725 3.152 20 0 BGADHN C[C@@H]1C[C@H](NCc2cc(F)cnc2Cl)[C@H]1C ZINC000824543218 587274904 /nfs/dbraw/zinc/27/49/04/587274904.db2.gz HDQXPRRGVXRIKJ-FYBVGQRMSA-N 0 3 242.725 3.008 20 0 BGADHN C[C@@H]1C[C@@H](NCc2cc(F)cnc2Cl)[C@@H]1C ZINC000824543219 587275121 /nfs/dbraw/zinc/27/51/21/587275121.db2.gz HDQXPRRGVXRIKJ-SOCHQFKDSA-N 0 3 242.725 3.008 20 0 BGADHN C[C@@H]1C[C@@H](NCc2cc(F)cnc2Cl)[C@H]1C ZINC000824543220 587275135 /nfs/dbraw/zinc/27/51/35/587275135.db2.gz HDQXPRRGVXRIKJ-VHSKPIJISA-N 0 3 242.725 3.008 20 0 BGADHN C[C@@H]1C[C@H](NCc2cc(F)cnc2Cl)[C@@H]1C ZINC000824543221 587275074 /nfs/dbraw/zinc/27/50/74/587275074.db2.gz HDQXPRRGVXRIKJ-XLDPMVHQSA-N 0 3 242.725 3.008 20 0 BGADHN CC[C@H]1CC[C@H]1NCc1cc(F)cnc1Cl ZINC000824543793 587273344 /nfs/dbraw/zinc/27/33/44/587273344.db2.gz ORILACSXAZIGFI-GZMMTYOYSA-N 0 3 242.725 3.152 20 0 BGADHN CC[C@@H]1CC[C@@H]1NCc1cc(F)cnc1Cl ZINC000824543794 587273360 /nfs/dbraw/zinc/27/33/60/587273360.db2.gz ORILACSXAZIGFI-KCJUWKMLSA-N 0 3 242.725 3.152 20 0 BGADHN CC[C@H]1CC[C@@H]1NCc1cc(F)cnc1Cl ZINC000824543795 587273348 /nfs/dbraw/zinc/27/33/48/587273348.db2.gz ORILACSXAZIGFI-KWQFWETISA-N 0 3 242.725 3.152 20 0 BGADHN CC[C@@H]1CC[C@H]1NCc1cc(F)cnc1Cl ZINC000824543796 587273277 /nfs/dbraw/zinc/27/32/77/587273277.db2.gz ORILACSXAZIGFI-LDYMZIIASA-N 0 3 242.725 3.152 20 0 BGADHN CC1(C)CC(NCc2cc(F)cnc2Cl)C1 ZINC000824544089 587275520 /nfs/dbraw/zinc/27/55/20/587275520.db2.gz TYTJZUDSNHFCMI-UHFFFAOYSA-N 0 3 242.725 3.152 20 0 BGADHN CC1(CNCc2cc(F)cnc2Cl)CCC1 ZINC000824544645 587273392 /nfs/dbraw/zinc/27/33/92/587273392.db2.gz ZZCNJDDVHKLVOV-UHFFFAOYSA-N 0 3 242.725 3.154 20 0 BGADHN c1cc(CNCC[C@@H]2CCc3ccccc32)co1 ZINC000824548287 587275310 /nfs/dbraw/zinc/27/53/10/587275310.db2.gz FDRJTUMXOZTLBU-HNNXBMFYSA-N 0 3 241.334 3.489 20 0 BGADHN c1cc(CNCC[C@H]2CCc3ccccc32)co1 ZINC000824548289 587275375 /nfs/dbraw/zinc/27/53/75/587275375.db2.gz FDRJTUMXOZTLBU-OAHLLOKOSA-N 0 3 241.334 3.489 20 0 BGADHN Cc1ccccc1CCN(C)C[C@@H]1CCC=CO1 ZINC000824554851 587275951 /nfs/dbraw/zinc/27/59/51/587275951.db2.gz NXFCKCMGVYLERG-INIZCTEOSA-N 0 3 245.366 3.162 20 0 BGADHN Cc1ccccc1CCN(C)C[C@H]1CCC=CO1 ZINC000824554852 587275751 /nfs/dbraw/zinc/27/57/51/587275751.db2.gz NXFCKCMGVYLERG-MRXNPFEDSA-N 0 3 245.366 3.162 20 0 BGADHN Cc1ccccc1CCN(C)Cc1ccoc1 ZINC000824555282 587275628 /nfs/dbraw/zinc/27/56/28/587275628.db2.gz RWUUNSRNEHITHY-UHFFFAOYSA-N 0 3 229.323 3.263 20 0 BGADHN CC[C@H](C)[C@H](CNCc1cc(C)oc1C)OC ZINC000824596253 587278717 /nfs/dbraw/zinc/27/87/17/587278717.db2.gz HRJLMZKYPLFAOD-HZMBPMFUSA-N 0 3 239.359 3.047 20 0 BGADHN CC[C@H](C)[C@@H](CNCc1cc(C)oc1C)OC ZINC000824596259 587278722 /nfs/dbraw/zinc/27/87/22/587278722.db2.gz HRJLMZKYPLFAOD-IINYFYTJSA-N 0 3 239.359 3.047 20 0 BGADHN CC[C@@H](C)[C@@H](CNCc1cc(C)oc1C)OC ZINC000824596262 587278366 /nfs/dbraw/zinc/27/83/66/587278366.db2.gz HRJLMZKYPLFAOD-QMTHXVAHSA-N 0 3 239.359 3.047 20 0 BGADHN CC[C@@H](C)[C@H](CNCc1cc(C)oc1C)OC ZINC000824596263 587278380 /nfs/dbraw/zinc/27/83/80/587278380.db2.gz HRJLMZKYPLFAOD-YGRLFVJLSA-N 0 3 239.359 3.047 20 0 BGADHN CCC1(NCc2cnc(Cl)c(C)c2)CC1 ZINC000824620309 587279782 /nfs/dbraw/zinc/27/97/82/587279782.db2.gz JCXCMVOXTDAQLX-UHFFFAOYSA-N 0 3 224.735 3.076 20 0 BGADHN c1ccc2ncc(CN3CC[C@H]3C3CC3)cc2c1 ZINC000824649068 587281082 /nfs/dbraw/zinc/28/10/82/587281082.db2.gz AYECWTODTMHEAO-INIZCTEOSA-N 0 3 238.334 3.219 20 0 BGADHN c1ccc2ncc(CN3CC[C@@H]3C3CC3)cc2c1 ZINC000824649071 587280884 /nfs/dbraw/zinc/28/08/84/587280884.db2.gz AYECWTODTMHEAO-MRXNPFEDSA-N 0 3 238.334 3.219 20 0 BGADHN Cc1ncc(CN(C)C2CCCCCCC2)n1C ZINC000824650335 587281076 /nfs/dbraw/zinc/28/10/76/587281076.db2.gz OHJZPPOYIGWEDH-UHFFFAOYSA-N 0 3 249.402 3.273 20 0 BGADHN c1ccc2c(c1)cncc2CN1CC[C@H]1C1CC1 ZINC000824650435 587280727 /nfs/dbraw/zinc/28/07/27/587280727.db2.gz NOOMDUSCMUXCSJ-INIZCTEOSA-N 0 3 238.334 3.219 20 0 BGADHN c1ccc2c(c1)cncc2CN1CC[C@@H]1C1CC1 ZINC000824650436 587280704 /nfs/dbraw/zinc/28/07/04/587280704.db2.gz NOOMDUSCMUXCSJ-MRXNPFEDSA-N 0 3 238.334 3.219 20 0 BGADHN CCC1(NCc2coc(C3CC3)n2)CCCC1 ZINC000824650440 587281040 /nfs/dbraw/zinc/28/10/40/587281040.db2.gz NQCLFFZTHXQADB-UHFFFAOYSA-N 0 3 234.343 3.364 20 0 BGADHN CC/C=C/CNCc1ccc(OCOCC)cc1 ZINC000824702825 587283599 /nfs/dbraw/zinc/28/35/99/587283599.db2.gz QXZVCZAHMBTSFI-AATRIKPKSA-N 0 3 249.354 3.115 20 0 BGADHN CC/C=C\CNCc1ccc(OCOCC)cc1 ZINC000824702826 587283253 /nfs/dbraw/zinc/28/32/53/587283253.db2.gz QXZVCZAHMBTSFI-WAYWQWQTSA-N 0 3 249.354 3.115 20 0 BGADHN CC/C=C\CNCc1cnc(Cl)c(C)c1 ZINC000824702870 587283190 /nfs/dbraw/zinc/28/31/90/587283190.db2.gz SGHIIDYAKIRJIU-PLNGDYQASA-N 0 3 224.735 3.099 20 0 BGADHN CC/C=C/CNCc1cnc(Cl)c(C)c1 ZINC000824702872 587283723 /nfs/dbraw/zinc/28/37/23/587283723.db2.gz SGHIIDYAKIRJIU-SNAWJCMRSA-N 0 3 224.735 3.099 20 0 BGADHN C[C@]1(CNCc2ccccc2)CC1(Cl)Cl ZINC000824758255 587285939 /nfs/dbraw/zinc/28/59/39/587285939.db2.gz QFLZRBVAYNMIDJ-LLVKDONJSA-N 0 3 244.165 3.360 20 0 BGADHN C[C@@]1(CNCc2ccccc2)CC1(Cl)Cl ZINC000824758256 587286074 /nfs/dbraw/zinc/28/60/74/587286074.db2.gz QFLZRBVAYNMIDJ-NSHDSACASA-N 0 3 244.165 3.360 20 0 BGADHN Cc1ccc(CNC[C@]2(C)CC2(Cl)Cl)o1 ZINC000824765120 587286477 /nfs/dbraw/zinc/28/64/77/587286477.db2.gz HMHRNZWZVYIBID-JTQLQIEISA-N 0 3 248.153 3.262 20 0 BGADHN Cc1ccc(CNC[C@@]2(C)CC2(Cl)Cl)o1 ZINC000824765121 587286598 /nfs/dbraw/zinc/28/65/98/587286598.db2.gz HMHRNZWZVYIBID-SNVBAGLBSA-N 0 3 248.153 3.262 20 0 BGADHN Cc1ccoc1CNC[C@]1(C)CC1(Cl)Cl ZINC000824766147 587286610 /nfs/dbraw/zinc/28/66/10/587286610.db2.gz RWSBVHFOALBLEW-JTQLQIEISA-N 0 3 248.153 3.262 20 0 BGADHN Cc1ccoc1CNC[C@@]1(C)CC1(Cl)Cl ZINC000824766148 587286313 /nfs/dbraw/zinc/28/63/13/587286313.db2.gz RWSBVHFOALBLEW-SNVBAGLBSA-N 0 3 248.153 3.262 20 0 BGADHN CCCn1nccc1CN1CCC2(CCCC2)C1 ZINC000824782932 587287410 /nfs/dbraw/zinc/28/74/10/587287410.db2.gz ORIVISTYXYUCOU-UHFFFAOYSA-N 0 3 247.386 3.059 20 0 BGADHN CC[C@@H]1C[C@H]1CNCc1ccnc(Cl)c1F ZINC000824783423 587287160 /nfs/dbraw/zinc/28/71/60/587287160.db2.gz LNFLKNCJRZHXCU-SCZZXKLOSA-N 0 3 242.725 3.010 20 0 BGADHN Cc1cc(CNC[C@H]2CCCC2(F)F)c(C)o1 ZINC000824798886 587287659 /nfs/dbraw/zinc/28/76/59/587287659.db2.gz IGSGQGSXZZKTSJ-GFCCVEGCSA-N 0 3 243.297 3.421 20 0 BGADHN Cc1cc(CNC[C@@H]2CCCC2(F)F)c(C)o1 ZINC000824798887 587287748 /nfs/dbraw/zinc/28/77/48/587287748.db2.gz IGSGQGSXZZKTSJ-LBPRGKRZSA-N 0 3 243.297 3.421 20 0 BGADHN Cc1cccc2[nH]c(CN3CCC3(C)C)cc21 ZINC000824823826 587289491 /nfs/dbraw/zinc/28/94/91/587289491.db2.gz DVJPLSZDOKNOLP-UHFFFAOYSA-N 0 3 228.339 3.461 20 0 BGADHN Cc1ccc2cc(CN3CCC3(C)C)[nH]c2c1 ZINC000824826048 587289258 /nfs/dbraw/zinc/28/92/58/587289258.db2.gz VOXROKZZNJSKEP-UHFFFAOYSA-N 0 3 228.339 3.461 20 0 BGADHN CCOc1ccc(CN2CCC2(C)C)c(C)c1 ZINC000824826398 587289216 /nfs/dbraw/zinc/28/92/16/587289216.db2.gz ZUWWLUBCTVNPSI-UHFFFAOYSA-N 0 3 233.355 3.378 20 0 BGADHN CC(C)(NCc1cccnc1Cl)C1CCC1 ZINC000824878987 587291276 /nfs/dbraw/zinc/29/12/76/587291276.db2.gz YADLGKOCCXDUAW-UHFFFAOYSA-N 0 3 238.762 3.403 20 0 BGADHN CC(C)(NCc1cc(F)ncc1F)C1CCC1 ZINC000824887116 587292015 /nfs/dbraw/zinc/29/20/15/587292015.db2.gz QJCYYEVSRLGVRS-UHFFFAOYSA-N 0 3 240.297 3.028 20 0 BGADHN Cl/C=C\CN1CCC[C@H]1Cc1ccccc1 ZINC000824898201 587292330 /nfs/dbraw/zinc/29/23/30/587292330.db2.gz JNZGZKSIOSYBNR-UQYHUFHVSA-N 0 3 235.758 3.446 20 0 BGADHN Cl/C=C\CN1CCC[C@@H]1Cc1ccccc1 ZINC000824898202 587292523 /nfs/dbraw/zinc/29/25/23/587292523.db2.gz JNZGZKSIOSYBNR-VYLZPFMQSA-N 0 3 235.758 3.446 20 0 BGADHN C[C@]1(CCNCc2ccco2)CC1(Cl)Cl ZINC000824964326 587294469 /nfs/dbraw/zinc/29/44/69/587294469.db2.gz SQVXPGVDXNGMIX-JTQLQIEISA-N 0 3 248.153 3.343 20 0 BGADHN C[C@@]1(CCNCc2ccco2)CC1(Cl)Cl ZINC000824964327 587294552 /nfs/dbraw/zinc/29/45/52/587294552.db2.gz SQVXPGVDXNGMIX-SNVBAGLBSA-N 0 3 248.153 3.343 20 0 BGADHN C[C@]1(CCNCc2ccoc2)CC1(Cl)Cl ZINC000824969602 587295000 /nfs/dbraw/zinc/29/50/00/587295000.db2.gz HHGLXAHYKCHVAQ-JTQLQIEISA-N 0 3 248.153 3.343 20 0 BGADHN C[C@@]1(CCNCc2ccoc2)CC1(Cl)Cl ZINC000824969603 587294948 /nfs/dbraw/zinc/29/49/48/587294948.db2.gz HHGLXAHYKCHVAQ-SNVBAGLBSA-N 0 3 248.153 3.343 20 0 BGADHN Cc1ccc(F)c(CCNCc2ccoc2)c1 ZINC000824976659 587296213 /nfs/dbraw/zinc/29/62/13/587296213.db2.gz DPLHKVIXHFKMDC-UHFFFAOYSA-N 0 3 233.286 3.059 20 0 BGADHN CC(C)[C@@H]1C[C@H]1CNCc1cccnc1Cl ZINC000824977645 587296578 /nfs/dbraw/zinc/29/65/78/587296578.db2.gz NROJSNLMUXRAPI-RYUDHWBXSA-N 0 3 238.762 3.117 20 0 BGADHN Fc1cncc(CN2CCCCCCCC2)c1 ZINC000824982187 587296905 /nfs/dbraw/zinc/29/69/05/587296905.db2.gz CAPUEAQEKAFRJX-UHFFFAOYSA-N 0 3 236.334 3.377 20 0 BGADHN Fc1ccc(CN2CCCCCCCC2)cn1 ZINC000824982205 587296865 /nfs/dbraw/zinc/29/68/65/587296865.db2.gz CPPVDLHNHIQOBR-UHFFFAOYSA-N 0 3 236.334 3.377 20 0 BGADHN c1ncc(CN2CCCCCCCC2)s1 ZINC000824982719 587296958 /nfs/dbraw/zinc/29/69/58/587296958.db2.gz JTJAYBHLMOZYKP-UHFFFAOYSA-N 0 3 224.373 3.299 20 0 BGADHN CCn1ccnc1CN1CCCCCCCC1 ZINC000824982746 587296816 /nfs/dbraw/zinc/29/68/16/587296816.db2.gz KEOHLLXSJVMKCQ-UHFFFAOYSA-N 0 3 235.375 3.059 20 0 BGADHN CCn1nccc1CN1CCCCCCCC1 ZINC000824982773 587296771 /nfs/dbraw/zinc/29/67/71/587296771.db2.gz KPPPMIDCRAWJJS-UHFFFAOYSA-N 0 3 235.375 3.059 20 0 BGADHN Fc1cnccc1CN1CCCCCCCC1 ZINC000824982909 585029085 /nfs/dbraw/zinc/02/90/85/585029085.db2.gz NHZGJDZNQFMSFJ-UHFFFAOYSA-N 0 3 236.334 3.377 20 0 BGADHN c1csc(CN2CCCCCCCC2)n1 ZINC000824983092 587296838 /nfs/dbraw/zinc/29/68/38/587296838.db2.gz QGJALFGNZNKZCY-UHFFFAOYSA-N 0 3 224.373 3.299 20 0 BGADHN Cc1nocc1CN1CCCCCCCC1 ZINC000824983289 587296946 /nfs/dbraw/zinc/29/69/46/587296946.db2.gz SVLFDMXNBDYZLJ-UHFFFAOYSA-N 0 3 222.332 3.139 20 0 BGADHN CCc1nocc1CN1CCCCCCCC1 ZINC000824983411 587297063 /nfs/dbraw/zinc/29/70/63/587297063.db2.gz VXBXBMGEGAEXIR-UHFFFAOYSA-N 0 3 236.359 3.393 20 0 BGADHN Fc1ccc(CC2(NCc3ccoc3)CC2)cc1 ZINC000825017322 587298930 /nfs/dbraw/zinc/29/89/30/587298930.db2.gz OXGCXOZMDPDDRU-UHFFFAOYSA-N 0 3 245.297 3.284 20 0 BGADHN CCc1nc(CNCC2CCCCCC2)co1 ZINC000825049846 645060962 /nfs/dbraw/zinc/06/09/62/645060962.db2.gz DEBSHACFBFSKAF-UHFFFAOYSA-N 0 3 236.359 3.297 20 0 BGADHN CCc1nc(CNC2CCC(CC)CC2)co1 ZINC000825056005 587300746 /nfs/dbraw/zinc/30/07/46/587300746.db2.gz CVNMCCPJGYCYPA-UHFFFAOYSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1nc(CNC[C@@H]2C(C)=CCC[C@@H]2C)co1 ZINC000825056223 587300674 /nfs/dbraw/zinc/30/06/74/587300674.db2.gz FGXXMHZUZDOZKS-GXTWGEPZSA-N 0 3 248.370 3.319 20 0 BGADHN CCc1nc(CNC[C@H]2C(C)=CCC[C@@H]2C)co1 ZINC000825056224 587300531 /nfs/dbraw/zinc/30/05/31/587300531.db2.gz FGXXMHZUZDOZKS-JSGCOSHPSA-N 0 3 248.370 3.319 20 0 BGADHN CCc1nc(CNC[C@H]2C(C)=CCC[C@H]2C)co1 ZINC000825056225 587300229 /nfs/dbraw/zinc/30/02/29/587300229.db2.gz FGXXMHZUZDOZKS-OCCSQVGLSA-N 0 3 248.370 3.319 20 0 BGADHN CCc1nc(CNC[C@@H]2C(C)=CCC[C@H]2C)co1 ZINC000825056226 587300538 /nfs/dbraw/zinc/30/05/38/587300538.db2.gz FGXXMHZUZDOZKS-TZMCWYRMSA-N 0 3 248.370 3.319 20 0 BGADHN CCc1nc(CNC[C@@H]2CCCC[C@H]2C)co1 ZINC000825056269 587300455 /nfs/dbraw/zinc/30/04/55/587300455.db2.gz GKKSKFZLFRCSIX-NEPJUHHUSA-N 0 3 236.359 3.153 20 0 BGADHN CCc1nc(CNC[C@H]2CCCC[C@@H]2C)co1 ZINC000825056270 587300498 /nfs/dbraw/zinc/30/04/98/587300498.db2.gz GKKSKFZLFRCSIX-NWDGAFQWSA-N 0 3 236.359 3.153 20 0 BGADHN CCc1nc(CNC[C@@H]2CCCC[C@@H]2C)co1 ZINC000825056271 587300418 /nfs/dbraw/zinc/30/04/18/587300418.db2.gz GKKSKFZLFRCSIX-RYUDHWBXSA-N 0 3 236.359 3.153 20 0 BGADHN CCc1nc(CNC[C@H]2CCCC[C@H]2C)co1 ZINC000825056272 587299838 /nfs/dbraw/zinc/29/98/38/587299838.db2.gz GKKSKFZLFRCSIX-VXGBXAGGSA-N 0 3 236.359 3.153 20 0 BGADHN CCCC(CCC)NCc1coc(CC)n1 ZINC000825056306 587300693 /nfs/dbraw/zinc/30/06/93/587300693.db2.gz GTROQZDSWKSOJL-UHFFFAOYSA-N 0 3 224.348 3.295 20 0 BGADHN CCc1nc(CN[C@H]2CCCC[C@H]2C2CC2)co1 ZINC000825056608 587300600 /nfs/dbraw/zinc/30/06/00/587300600.db2.gz HLAMIGHHQQGJPK-KBPBESRZSA-N 0 3 248.370 3.295 20 0 BGADHN CCc1nc(CN[C@H]2CCCC[C@@H]2C2CC2)co1 ZINC000825056609 587300447 /nfs/dbraw/zinc/30/04/47/587300447.db2.gz HLAMIGHHQQGJPK-KGLIPLIRSA-N 0 3 248.370 3.295 20 0 BGADHN CCc1nc(CN[C@@H]2CCCC[C@H]2C2CC2)co1 ZINC000825056610 587300415 /nfs/dbraw/zinc/30/04/15/587300415.db2.gz HLAMIGHHQQGJPK-UONOGXRCSA-N 0 3 248.370 3.295 20 0 BGADHN CCc1nc(CN[C@@H]2CCCC[C@@H]2C2CC2)co1 ZINC000825056611 587300264 /nfs/dbraw/zinc/30/02/64/587300264.db2.gz HLAMIGHHQQGJPK-ZIAGYGMSSA-N 0 3 248.370 3.295 20 0 BGADHN CCc1nc(CN[C@@H]2CCC[C@H](C)[C@H]2C)co1 ZINC000825056613 587300686 /nfs/dbraw/zinc/30/06/86/587300686.db2.gz HSDABQPCRMCEON-DMDPSCGWSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1nc(CN[C@@H]2CCC[C@H](C)[C@@H]2C)co1 ZINC000825056614 587300527 /nfs/dbraw/zinc/30/05/27/587300527.db2.gz HSDABQPCRMCEON-GMXVVIOVSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1nc(CN[C@@H]2CCC[C@@H](C)[C@H]2C)co1 ZINC000825056615 587301062 /nfs/dbraw/zinc/30/10/62/587301062.db2.gz HSDABQPCRMCEON-NQBHXWOUSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1nc(CN[C@@H]2CCC[C@@H](C)[C@@H]2C)co1 ZINC000825056616 645060692 /nfs/dbraw/zinc/06/06/92/645060692.db2.gz HSDABQPCRMCEON-NTZNESFSSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1nc(CN[C@@H]2CCC[C@@H](C3CC3)C2)co1 ZINC000825057030 587301193 /nfs/dbraw/zinc/30/11/93/587301193.db2.gz LJBVJCONXLSQHT-CHWSQXEVSA-N 0 3 248.370 3.295 20 0 BGADHN CCc1nc(CN[C@H]2CCC[C@@H](C3CC3)C2)co1 ZINC000825057031 587301094 /nfs/dbraw/zinc/30/10/94/587301094.db2.gz LJBVJCONXLSQHT-OLZOCXBDSA-N 0 3 248.370 3.295 20 0 BGADHN CCc1nc(CN[C@@H]2CCC[C@H](C3CC3)C2)co1 ZINC000825057032 587301304 /nfs/dbraw/zinc/30/13/04/587301304.db2.gz LJBVJCONXLSQHT-QWHCGFSZSA-N 0 3 248.370 3.295 20 0 BGADHN CCc1nc(CN[C@H]2CCC[C@H](C3CC3)C2)co1 ZINC000825057033 587301165 /nfs/dbraw/zinc/30/11/65/587301165.db2.gz LJBVJCONXLSQHT-STQMWFEESA-N 0 3 248.370 3.295 20 0 BGADHN CCc1nc(CN[C@@H]2CC[C@@H](C)[C@@H](C)C2)co1 ZINC000825057035 587301198 /nfs/dbraw/zinc/30/11/98/587301198.db2.gz LJSLQTYUQNMCQE-GRYCIOLGSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1nc(CN[C@@H]2CC[C@@H](C)[C@H](C)C2)co1 ZINC000825057036 587300930 /nfs/dbraw/zinc/30/09/30/587300930.db2.gz LJSLQTYUQNMCQE-IJLUTSLNSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1nc(CN[C@@H]2CC[C@H](C)[C@H](C)C2)co1 ZINC000825057037 587300899 /nfs/dbraw/zinc/30/08/99/587300899.db2.gz LJSLQTYUQNMCQE-QJPTWQEYSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1nc(CN[C@@H]2CC[C@H](C)[C@@H](C)C2)co1 ZINC000825057038 587300953 /nfs/dbraw/zinc/30/09/53/587300953.db2.gz LJSLQTYUQNMCQE-SDDRHHMPSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1nc(CNC2CCCCCC2)co1 ZINC000825057042 587301104 /nfs/dbraw/zinc/30/11/04/587301104.db2.gz LOSBBNZAJHIGRN-UHFFFAOYSA-N 0 3 222.332 3.049 20 0 BGADHN CCc1nc(CN[C@@H]2CCC[C@@H]2C(C)C)co1 ZINC000825057054 587300926 /nfs/dbraw/zinc/30/09/26/587300926.db2.gz LUKOVRUNRGKJPU-CHWSQXEVSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1nc(CN[C@H]2CCC[C@@H]2C(C)C)co1 ZINC000825057055 587301077 /nfs/dbraw/zinc/30/10/77/587301077.db2.gz LUKOVRUNRGKJPU-OLZOCXBDSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1nc(CN[C@@H]2CCC[C@H]2C(C)C)co1 ZINC000825057056 587300844 /nfs/dbraw/zinc/30/08/44/587300844.db2.gz LUKOVRUNRGKJPU-QWHCGFSZSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1nc(CN[C@H]2CCC[C@H]2C(C)C)co1 ZINC000825057057 587300824 /nfs/dbraw/zinc/30/08/24/587300824.db2.gz LUKOVRUNRGKJPU-STQMWFEESA-N 0 3 236.359 3.151 20 0 BGADHN CCc1nc(CN[C@@H]2CCCCC2(C)C)co1 ZINC000825057072 587300888 /nfs/dbraw/zinc/30/08/88/587300888.db2.gz MBENWYQNZFXGOI-GFCCVEGCSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1nc(CN[C@H]2CCCCC2(C)C)co1 ZINC000825057073 587300836 /nfs/dbraw/zinc/30/08/36/587300836.db2.gz MBENWYQNZFXGOI-LBPRGKRZSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1nc(CN[C@H]2C[C@H](C)C[C@H](C)C2)co1 ZINC000825057468 645060748 /nfs/dbraw/zinc/06/07/48/645060748.db2.gz PAZQFUAAGZWXSN-GDNZZTSVSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1nc(CNC2C[C@H](C)C[C@@H](C)C2)co1 ZINC000825057469 645060993 /nfs/dbraw/zinc/06/09/93/645060993.db2.gz PAZQFUAAGZWXSN-GHMZBOCLSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1nc(CNC2C[C@@H](C)C[C@H](C)C2)co1 ZINC000825057470 645061039 /nfs/dbraw/zinc/06/10/39/645061039.db2.gz PAZQFUAAGZWXSN-QWRGUYRKSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1nc(CNC2CCCCCCC2)co1 ZINC000825057484 587301216 /nfs/dbraw/zinc/30/12/16/587301216.db2.gz PFORAQMCZMUVHH-UHFFFAOYSA-N 0 3 236.359 3.440 20 0 BGADHN CCCC[C@@H](CC)NCc1coc(CC)n1 ZINC000825058114 587301067 /nfs/dbraw/zinc/30/10/67/587301067.db2.gz SGRXJPNCCNFSIR-LLVKDONJSA-N 0 3 224.348 3.295 20 0 BGADHN CCCC[C@H](CC)NCc1coc(CC)n1 ZINC000825058115 587300915 /nfs/dbraw/zinc/30/09/15/587300915.db2.gz SGRXJPNCCNFSIR-NSHDSACASA-N 0 3 224.348 3.295 20 0 BGADHN CCc1nc(CN[C@@H]2CCCC(C)(C)C2)co1 ZINC000825058160 587301286 /nfs/dbraw/zinc/30/12/86/587301286.db2.gz SWRFATUFEGTIGU-LLVKDONJSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1nc(CN[C@H]2CCCC(C)(C)C2)co1 ZINC000825058161 587300985 /nfs/dbraw/zinc/30/09/85/587300985.db2.gz SWRFATUFEGTIGU-NSHDSACASA-N 0 3 236.359 3.295 20 0 BGADHN CCc1nc(CN[C@H]2CCC[C@@H](CC)C2)co1 ZINC000825058304 587300989 /nfs/dbraw/zinc/30/09/89/587300989.db2.gz VNEANXBBXMWDSQ-NEPJUHHUSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1nc(CN[C@@H]2CCC[C@H](CC)C2)co1 ZINC000825058305 587300906 /nfs/dbraw/zinc/30/09/06/587300906.db2.gz VNEANXBBXMWDSQ-NWDGAFQWSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1nc(CN[C@H]2CCC[C@H](CC)C2)co1 ZINC000825058306 587300884 /nfs/dbraw/zinc/30/08/84/587300884.db2.gz VNEANXBBXMWDSQ-RYUDHWBXSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1nc(CN[C@@H]2CCC[C@@H](CC)C2)co1 ZINC000825058307 587300894 /nfs/dbraw/zinc/30/08/94/587300894.db2.gz VNEANXBBXMWDSQ-VXGBXAGGSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1nc(CNC2CCC(C)(C)CC2)co1 ZINC000825058357 587301029 /nfs/dbraw/zinc/30/10/29/587301029.db2.gz WKULDIUYWTWQCR-UHFFFAOYSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1nc(CN[C@@H]2CC[C@H](C)C[C@H]2C)co1 ZINC000825058419 587300856 /nfs/dbraw/zinc/30/08/56/587300856.db2.gz XYHMAKBNIROJIN-DMDPSCGWSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1nc(CN[C@@H]2CC[C@H](C)C[C@@H]2C)co1 ZINC000825058420 585029030 /nfs/dbraw/zinc/02/90/30/585029030.db2.gz XYHMAKBNIROJIN-GMXVVIOVSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1nc(CN[C@@H]2CC[C@@H](C)C[C@H]2C)co1 ZINC000825058421 585029220 /nfs/dbraw/zinc/02/92/20/585029220.db2.gz XYHMAKBNIROJIN-NQBHXWOUSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1nc(CN[C@@H]2CC[C@@H](C)C[C@@H]2C)co1 ZINC000825058422 585029200 /nfs/dbraw/zinc/02/92/00/585029200.db2.gz XYHMAKBNIROJIN-NTZNESFSSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1nc(CN[C@@H](C)CC(C)(C)C)co1 ZINC000825061401 587301761 /nfs/dbraw/zinc/30/17/61/587301761.db2.gz GABUMVCNCIMHGX-JTQLQIEISA-N 0 3 224.348 3.151 20 0 BGADHN CCc1nc(CN[C@H](C)CC(C)(C)C)co1 ZINC000825061403 587301558 /nfs/dbraw/zinc/30/15/58/587301558.db2.gz GABUMVCNCIMHGX-SNVBAGLBSA-N 0 3 224.348 3.151 20 0 BGADHN CCc1nc(CNC[C@H]2CCC[C@@H](C)C2)co1 ZINC000825061477 587301703 /nfs/dbraw/zinc/30/17/03/587301703.db2.gz HDXPHBKALLBNST-NEPJUHHUSA-N 0 3 236.359 3.153 20 0 BGADHN CCc1nc(CNC[C@@H]2CCC[C@H](C)C2)co1 ZINC000825061479 587301955 /nfs/dbraw/zinc/30/19/55/587301955.db2.gz HDXPHBKALLBNST-NWDGAFQWSA-N 0 3 236.359 3.153 20 0 BGADHN CCc1nc(CNC[C@H]2CCC[C@H](C)C2)co1 ZINC000825061481 587301774 /nfs/dbraw/zinc/30/17/74/587301774.db2.gz HDXPHBKALLBNST-RYUDHWBXSA-N 0 3 236.359 3.153 20 0 BGADHN CCc1nc(CNC[C@@H]2CCC[C@@H](C)C2)co1 ZINC000825061482 587301921 /nfs/dbraw/zinc/30/19/21/587301921.db2.gz HDXPHBKALLBNST-VXGBXAGGSA-N 0 3 236.359 3.153 20 0 BGADHN CCc1nc(CNC2CCC3(CC3)CC2)co1 ZINC000825061508 587301418 /nfs/dbraw/zinc/30/14/18/587301418.db2.gz HKVLDBOKQGOKOZ-UHFFFAOYSA-N 0 3 234.343 3.049 20 0 BGADHN CCc1nc(CNCC(C(C)C)C(C)C)co1 ZINC000825061701 587301633 /nfs/dbraw/zinc/30/16/33/587301633.db2.gz IVXCKLYGABBCPR-UHFFFAOYSA-N 0 3 238.375 3.255 20 0 BGADHN CCc1nc(CNC[C@H](C)CC(C)C)co1 ZINC000825061782 587301770 /nfs/dbraw/zinc/30/17/70/587301770.db2.gz JUIWEJHKZQAYOS-LLVKDONJSA-N 0 3 224.348 3.009 20 0 BGADHN CCc1nc(CNC[C@@H](C)CC(C)C)co1 ZINC000825061785 587302034 /nfs/dbraw/zinc/30/20/34/587302034.db2.gz JUIWEJHKZQAYOS-NSHDSACASA-N 0 3 224.348 3.009 20 0 BGADHN CCc1nc(CNC[C@@H]2CC(C)=C[C@H](C)C2)co1 ZINC000825062232 587301567 /nfs/dbraw/zinc/30/15/67/587301567.db2.gz QQPFIMRRGNRJIH-AAEUAGOBSA-N 0 3 248.370 3.319 20 0 BGADHN CCc1nc(CNC[C@H]2CC(C)=C[C@@H](C)C2)co1 ZINC000825062234 587301574 /nfs/dbraw/zinc/30/15/74/587301574.db2.gz QQPFIMRRGNRJIH-DGCLKSJQSA-N 0 3 248.370 3.319 20 0 BGADHN CCc1nc(CNC[C@H]2CC(C)=C[C@H](C)C2)co1 ZINC000825062235 587301794 /nfs/dbraw/zinc/30/17/94/587301794.db2.gz QQPFIMRRGNRJIH-WCQYABFASA-N 0 3 248.370 3.319 20 0 BGADHN CCc1nc(CNC[C@@H]2CC(C)=C[C@@H](C)C2)co1 ZINC000825062237 587301661 /nfs/dbraw/zinc/30/16/61/587301661.db2.gz QQPFIMRRGNRJIH-YPMHNXCESA-N 0 3 248.370 3.319 20 0 BGADHN CCc1nc(CN[C@H](C)C2CCCCC2)co1 ZINC000825062342 587301537 /nfs/dbraw/zinc/30/15/37/587301537.db2.gz SZTROWPJFGBAFM-LLVKDONJSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1nc(CN[C@@H](C)C2CCCCC2)co1 ZINC000825062343 587301843 /nfs/dbraw/zinc/30/18/43/587301843.db2.gz SZTROWPJFGBAFM-NSHDSACASA-N 0 3 236.359 3.295 20 0 BGADHN CCc1nc(CN[C@H](CC)C2CCCC2)co1 ZINC000825062360 585029004 /nfs/dbraw/zinc/02/90/04/585029004.db2.gz TYBCDFUQKDSCMR-CYBMUJFWSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1nc(CN[C@@H](CC)C2CCCC2)co1 ZINC000825062363 585029233 /nfs/dbraw/zinc/02/92/33/585029233.db2.gz TYBCDFUQKDSCMR-ZDUSSCGKSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1nc(CNC[C@H](C)C(C)(C)C)co1 ZINC000825062396 587301458 /nfs/dbraw/zinc/30/14/58/587301458.db2.gz USHUXASVDQCINJ-JTQLQIEISA-N 0 3 224.348 3.009 20 0 BGADHN CCc1nc(CNC[C@@H](C)C(C)(C)C)co1 ZINC000825062397 587301578 /nfs/dbraw/zinc/30/15/78/587301578.db2.gz USHUXASVDQCINJ-SNVBAGLBSA-N 0 3 224.348 3.009 20 0 BGADHN CCc1nc(CN[C@@H]2CCCC23CCCC3)co1 ZINC000825062402 587301808 /nfs/dbraw/zinc/30/18/08/587301808.db2.gz UWLITYMWMGHFAZ-CYBMUJFWSA-N 0 3 248.370 3.440 20 0 BGADHN CCc1nc(CN[C@H]2CCCC23CCCC3)co1 ZINC000825062403 587301438 /nfs/dbraw/zinc/30/14/38/587301438.db2.gz UWLITYMWMGHFAZ-ZDUSSCGKSA-N 0 3 248.370 3.440 20 0 BGADHN CCc1nc(CN[C@@H]2C[C@@H](C)CC[C@H]2C)co1 ZINC000825062420 587301414 /nfs/dbraw/zinc/30/14/14/587301414.db2.gz VJFKCVSAXOTXIP-DMDPSCGWSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1nc(CN[C@@H]2C[C@@H](C)CC[C@@H]2C)co1 ZINC000825062421 587302043 /nfs/dbraw/zinc/30/20/43/587302043.db2.gz VJFKCVSAXOTXIP-GMXVVIOVSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1nc(CN[C@@H]2C[C@H](C)CC[C@H]2C)co1 ZINC000825062422 587301840 /nfs/dbraw/zinc/30/18/40/587301840.db2.gz VJFKCVSAXOTXIP-NQBHXWOUSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1nc(CN[C@@H]2C[C@H](C)CC[C@@H]2C)co1 ZINC000825062423 587301403 /nfs/dbraw/zinc/30/14/03/587301403.db2.gz VJFKCVSAXOTXIP-NTZNESFSSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1nc(CN[C@@H]2CC(C)(C)C[C@@H]2C)co1 ZINC000825062517 587301657 /nfs/dbraw/zinc/30/16/57/587301657.db2.gz ZDAPXOZVICDKGA-CMPLNLGQSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1nc(CN[C@H]2CC(C)(C)C[C@@H]2C)co1 ZINC000825062518 587301870 /nfs/dbraw/zinc/30/18/70/587301870.db2.gz ZDAPXOZVICDKGA-JQWIXIFHSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1nc(CN[C@H]2CC(C)(C)C[C@H]2C)co1 ZINC000825062519 585029022 /nfs/dbraw/zinc/02/90/22/585029022.db2.gz ZDAPXOZVICDKGA-PWSUYJOCSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1nc(CN[C@@H]2CC(C)(C)C[C@H]2C)co1 ZINC000825062520 585029125 /nfs/dbraw/zinc/02/91/25/585029125.db2.gz ZDAPXOZVICDKGA-ZYHUDNBSSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1nc(CN[C@@H]2CCCC23CCC3)co1 ZINC000825062522 587301731 /nfs/dbraw/zinc/30/17/31/587301731.db2.gz ZEOMTMDCLKOGQE-GFCCVEGCSA-N 0 3 234.343 3.049 20 0 BGADHN CCc1nc(CN[C@H]2CCCC23CCC3)co1 ZINC000825062523 587301990 /nfs/dbraw/zinc/30/19/90/587301990.db2.gz ZEOMTMDCLKOGQE-LBPRGKRZSA-N 0 3 234.343 3.049 20 0 BGADHN CCCCC[C@@H](C)NCc1cnc(CC)o1 ZINC000825078960 587302611 /nfs/dbraw/zinc/30/26/11/587302611.db2.gz HTDADCGMDREFSM-LLVKDONJSA-N 0 3 224.348 3.295 20 0 BGADHN CCCCC[C@H](C)NCc1cnc(CC)o1 ZINC000825078961 587302803 /nfs/dbraw/zinc/30/28/03/587302803.db2.gz HTDADCGMDREFSM-NSHDSACASA-N 0 3 224.348 3.295 20 0 BGADHN CCc1ncc(CNC2CCCCCCC2)o1 ZINC000825079639 587302984 /nfs/dbraw/zinc/30/29/84/587302984.db2.gz XXQKUWRJICJFQV-UHFFFAOYSA-N 0 3 236.359 3.440 20 0 BGADHN CC1(C2(NCc3ccc(Cl)nc3)CC2)CC1 ZINC000825124462 587305296 /nfs/dbraw/zinc/30/52/96/587305296.db2.gz QIFIXGHQGHSAHC-UHFFFAOYSA-N 0 3 236.746 3.157 20 0 BGADHN Cc1cc(CNC2(C3(C)CC3)CC2)c(C)o1 ZINC000825124510 587305694 /nfs/dbraw/zinc/30/56/94/587305694.db2.gz RHDIFPDXGOOCAG-UHFFFAOYSA-N 0 3 219.328 3.319 20 0 BGADHN CC1(C2(NCc3cccnc3Cl)CC2)CC1 ZINC000825124532 587305446 /nfs/dbraw/zinc/30/54/46/587305446.db2.gz RTFRZGVZBSFHDQ-UHFFFAOYSA-N 0 3 236.746 3.157 20 0 BGADHN C[C@@H](CNCc1cnc(C2CC2)o1)C(C)(C)C ZINC000825178950 587308480 /nfs/dbraw/zinc/30/84/80/587308480.db2.gz JKGWBBZKSPVBLG-JTQLQIEISA-N 0 3 236.359 3.324 20 0 BGADHN C[C@H](CNCc1cnc(C2CC2)o1)C(C)(C)C ZINC000825178951 587308258 /nfs/dbraw/zinc/30/82/58/587308258.db2.gz JKGWBBZKSPVBLG-SNVBAGLBSA-N 0 3 236.359 3.324 20 0 BGADHN CC[C@@H]1CC[C@H](C)N(Cc2ccc(F)nc2)C1 ZINC000825208031 587309531 /nfs/dbraw/zinc/30/95/31/587309531.db2.gz QOWCJLSRWHXSKL-NWDGAFQWSA-N 0 3 236.334 3.231 20 0 BGADHN CCCCC[C@@H](C)NCc1ncccc1OC ZINC000825249419 587310933 /nfs/dbraw/zinc/31/09/33/587310933.db2.gz GQWVYFAFAUNWEU-GFCCVEGCSA-N 0 3 236.359 3.149 20 0 BGADHN CCCCC[C@H](C)NCc1ncccc1OC ZINC000825249420 587310946 /nfs/dbraw/zinc/31/09/46/587310946.db2.gz GQWVYFAFAUNWEU-LBPRGKRZSA-N 0 3 236.359 3.149 20 0 BGADHN COc1cccnc1CNC1CCCCCCC1 ZINC000825249616 587310763 /nfs/dbraw/zinc/31/07/63/587310763.db2.gz KFLKEPWSDJYTQO-UHFFFAOYSA-N 0 3 248.370 3.293 20 0 BGADHN Cc1ccc(CN(C)C[C@@H]2CCC=CO2)cc1C ZINC000825299096 587313521 /nfs/dbraw/zinc/31/35/21/587313521.db2.gz BTHSEGHBYGILQS-INIZCTEOSA-N 0 3 245.366 3.428 20 0 BGADHN Cc1ccc(CN(C)C[C@H]2CCC=CO2)cc1C ZINC000825299097 587313409 /nfs/dbraw/zinc/31/34/09/587313409.db2.gz BTHSEGHBYGILQS-MRXNPFEDSA-N 0 3 245.366 3.428 20 0 BGADHN CC(C)c1cccc(CN2CC3(C2)CCOC3)c1 ZINC000826024157 587348659 /nfs/dbraw/zinc/34/86/59/587348659.db2.gz SVDFUFQHSXEICH-UHFFFAOYSA-N 0 3 245.366 3.032 20 0 BGADHN CC(C)c1cccc(CN2CC3(CC3)C2)c1 ZINC000826030060 587349025 /nfs/dbraw/zinc/34/90/25/587349025.db2.gz NVHOLRRFORQDBA-UHFFFAOYSA-N 0 3 215.340 3.406 20 0 BGADHN Cc1cc(CN2C[C@@H]3CCCC[C@@H]32)c(C)o1 ZINC000826538348 587354408 /nfs/dbraw/zinc/35/44/08/587354408.db2.gz ALUMEYWSXSYIOU-JSGCOSHPSA-N 0 3 219.328 3.271 20 0 BGADHN c1ccc2c(CN[C@@H]3CCC[C@@H]4C[C@@H]43)noc2c1 ZINC000826538917 587354533 /nfs/dbraw/zinc/35/45/33/587354533.db2.gz LIUPYDUSCQFKJU-KGYLQXTDSA-N 0 3 242.322 3.106 20 0 BGADHN c1ccc2c(CN[C@H]3CCC[C@@H]4C[C@@H]43)noc2c1 ZINC000826538918 587354509 /nfs/dbraw/zinc/35/45/09/587354509.db2.gz LIUPYDUSCQFKJU-WXHSDQCUSA-N 0 3 242.322 3.106 20 0 BGADHN c1coc(C2CCN(C[C@@H]3CCC=CO3)CC2)c1 ZINC000826877970 587364748 /nfs/dbraw/zinc/36/47/48/587364748.db2.gz PKTUTAYWOFOTBM-AWEZNQCLSA-N 0 3 247.338 3.152 20 0 BGADHN c1coc(C2CCN(C[C@H]3CCC=CO3)CC2)c1 ZINC000826877971 587364683 /nfs/dbraw/zinc/36/46/83/587364683.db2.gz PKTUTAYWOFOTBM-CQSZACIVSA-N 0 3 247.338 3.152 20 0 BGADHN c1ncc(CN2CCCC3(CCCC3)CC2)cn1 ZINC000826910652 587365057 /nfs/dbraw/zinc/36/50/57/587365057.db2.gz KZMQRAGMYUBUEO-UHFFFAOYSA-N 0 3 245.370 3.023 20 0 BGADHN Cc1ccc2c(c1)CN(C[C@@H]1CCC=CO1)CC2 ZINC000826910675 587365119 /nfs/dbraw/zinc/36/51/19/587365119.db2.gz LIUUTFQMVILZAR-INIZCTEOSA-N 0 3 243.350 3.046 20 0 BGADHN Cc1ccc2c(c1)CN(C[C@H]1CCC=CO1)CC2 ZINC000826910676 587365176 /nfs/dbraw/zinc/36/51/76/587365176.db2.gz LIUUTFQMVILZAR-MRXNPFEDSA-N 0 3 243.350 3.046 20 0 BGADHN CCC(C)(C)[C@@H](C)NCc1cc(F)ncc1F ZINC000826911171 587365156 /nfs/dbraw/zinc/36/51/56/587365156.db2.gz URAXOZMOXAOOHS-SECBINFHSA-N 0 3 242.313 3.274 20 0 BGADHN CCC(C)(C)[C@H](C)NCc1cc(F)ncc1F ZINC000826911172 587365054 /nfs/dbraw/zinc/36/50/54/587365054.db2.gz URAXOZMOXAOOHS-VIFPVBQESA-N 0 3 242.313 3.274 20 0 BGADHN CC[C@@H](C)CCNCc1c(F)ccc(O)c1F ZINC000826919787 584896437 /nfs/dbraw/zinc/89/64/37/584896437.db2.gz ACEFPNHHNBVUIK-SECBINFHSA-N 0 3 243.297 3.196 20 0 BGADHN CC[C@H](C)CCNCc1c(F)ccc(O)c1F ZINC000826919788 584896281 /nfs/dbraw/zinc/89/62/81/584896281.db2.gz ACEFPNHHNBVUIK-VIFPVBQESA-N 0 3 243.297 3.196 20 0 BGADHN CC[C@@H](C)CCNCc1ccnc(Cl)c1F ZINC000826919893 587365646 /nfs/dbraw/zinc/36/56/46/587365646.db2.gz DGABKTANCUTRJD-SECBINFHSA-N 0 3 244.741 3.400 20 0 BGADHN CC[C@H](C)CCNCc1ccnc(Cl)c1F ZINC000826919894 587365669 /nfs/dbraw/zinc/36/56/69/587365669.db2.gz DGABKTANCUTRJD-VIFPVBQESA-N 0 3 244.741 3.400 20 0 BGADHN c1cc(CN2CCC(C3CCC3)CC2)co1 ZINC000826945819 712592971 /nfs/dbraw/zinc/59/29/71/712592971.db2.gz CBRDJSMMSVERNA-UHFFFAOYSA-N 0 3 219.328 3.292 20 0 BGADHN CC1(C)CCN(Cc2cncnc2)CC(C)(C)C1 ZINC000827151850 584897376 /nfs/dbraw/zinc/89/73/76/584897376.db2.gz LHJJRURVIVQERO-UHFFFAOYSA-N 0 3 247.386 3.125 20 0 BGADHN CC(C)(F)CCNCc1ccnc(Cl)c1F ZINC000827189600 587372342 /nfs/dbraw/zinc/37/23/42/587372342.db2.gz KWVDKQFNCMEWCU-UHFFFAOYSA-N 0 3 248.704 3.102 20 0 BGADHN Fc1cc(CNCCCC2CCC2)c(F)cn1 ZINC000827252224 587374198 /nfs/dbraw/zinc/37/41/98/587374198.db2.gz ZHXJTFPONYUQET-UHFFFAOYSA-N 0 3 240.297 3.030 20 0 BGADHN CCC1(CC)CCCN(Cc2ccc(C)nn2)C1 ZINC000827264721 587374794 /nfs/dbraw/zinc/37/47/94/587374794.db2.gz BACDLRIVLFIISP-UHFFFAOYSA-N 0 3 247.386 3.187 20 0 BGADHN Cc1cc(CN2CCC[C@H](CCF)C2)c(C)o1 ZINC000827271380 587374613 /nfs/dbraw/zinc/37/46/13/587374613.db2.gz OCAROFMVYNLQPO-CYBMUJFWSA-N 0 3 239.334 3.468 20 0 BGADHN Cc1cc(CN2CCC[C@@H](CCF)C2)c(C)o1 ZINC000827271381 587374706 /nfs/dbraw/zinc/37/47/06/587374706.db2.gz OCAROFMVYNLQPO-ZDUSSCGKSA-N 0 3 239.334 3.468 20 0 BGADHN CC[C@@](C)(NCc1cc(F)ncc1F)C1CC1 ZINC000827329229 587377216 /nfs/dbraw/zinc/37/72/16/587377216.db2.gz XJVQIJKHQAQHNJ-CYBMUJFWSA-N 0 3 240.297 3.028 20 0 BGADHN CC[C@](C)(NCc1cc(F)ncc1F)C1CC1 ZINC000827329231 587377311 /nfs/dbraw/zinc/37/73/11/587377311.db2.gz XJVQIJKHQAQHNJ-ZDUSSCGKSA-N 0 3 240.297 3.028 20 0 BGADHN CN(Cc1ccsc1)CC1CC(F)(F)C1 ZINC000827331851 587377302 /nfs/dbraw/zinc/37/73/02/587377302.db2.gz GGOFHOQSFCDSDZ-UHFFFAOYSA-N 0 3 231.311 3.225 20 0 BGADHN CCC(=O)CCCN1Cc2ccccc2[C@H](C)C1 ZINC000827361942 587378694 /nfs/dbraw/zinc/37/86/94/587378694.db2.gz ZKODAYCKIYOGKB-CYBMUJFWSA-N 0 3 245.366 3.365 20 0 BGADHN CCC(=O)CCCN1Cc2ccccc2[C@@H](C)C1 ZINC000827361943 587378673 /nfs/dbraw/zinc/37/86/73/587378673.db2.gz ZKODAYCKIYOGKB-ZDUSSCGKSA-N 0 3 245.366 3.365 20 0 BGADHN c1cc(CN2CCC[C@@H]([C@@H]3CCCCO3)C2)co1 ZINC000827376266 587379043 /nfs/dbraw/zinc/37/90/43/587379043.db2.gz BPUCWCYCIKLLRO-CABCVRRESA-N 0 3 249.354 3.061 20 0 BGADHN c1cc(CN2CCC[C@H]([C@@H]3CCCCO3)C2)co1 ZINC000827376267 587378801 /nfs/dbraw/zinc/37/88/01/587378801.db2.gz BPUCWCYCIKLLRO-GJZGRUSLSA-N 0 3 249.354 3.061 20 0 BGADHN c1cc(CN2CCC[C@@H]([C@H]3CCCCO3)C2)co1 ZINC000827376268 587378840 /nfs/dbraw/zinc/37/88/40/587378840.db2.gz BPUCWCYCIKLLRO-HUUCEWRRSA-N 0 3 249.354 3.061 20 0 BGADHN c1cc(CN2CCC[C@H]([C@H]3CCCCO3)C2)co1 ZINC000827376269 587378993 /nfs/dbraw/zinc/37/89/93/587378993.db2.gz BPUCWCYCIKLLRO-LSDHHAIUSA-N 0 3 249.354 3.061 20 0 BGADHN c1cc(CN2CCC([C@@H]3CCCCO3)CC2)co1 ZINC000827377485 587378913 /nfs/dbraw/zinc/37/89/13/587378913.db2.gz ZGRLSSTZESVRHF-HNNXBMFYSA-N 0 3 249.354 3.061 20 0 BGADHN c1cc(CN2CCC([C@H]3CCCCO3)CC2)co1 ZINC000827377486 587378966 /nfs/dbraw/zinc/37/89/66/587378966.db2.gz ZGRLSSTZESVRHF-OAHLLOKOSA-N 0 3 249.354 3.061 20 0 BGADHN C[C@]1(CN2CCCCC2)CC1(Cl)Cl ZINC000827378554 587378938 /nfs/dbraw/zinc/37/89/38/587378938.db2.gz RXIWYKCBBFKBIT-SECBINFHSA-N 0 3 222.159 3.056 20 0 BGADHN C[C@@]1(CN2CCCCC2)CC1(Cl)Cl ZINC000827378555 587378803 /nfs/dbraw/zinc/37/88/03/587378803.db2.gz RXIWYKCBBFKBIT-VIFPVBQESA-N 0 3 222.159 3.056 20 0 BGADHN CCN(C[C@@]1(C)CC1(Cl)Cl)C1CC1 ZINC000827400275 587380038 /nfs/dbraw/zinc/38/00/38/587380038.db2.gz FLIUIRIXLLOAOS-SECBINFHSA-N 0 3 222.159 3.055 20 0 BGADHN CCN(C[C@]1(C)CC1(Cl)Cl)C1CC1 ZINC000827400276 587379936 /nfs/dbraw/zinc/37/99/36/587379936.db2.gz FLIUIRIXLLOAOS-VIFPVBQESA-N 0 3 222.159 3.055 20 0 BGADHN Cc1noc(C)c1CN(C)CC12CCC(CC1)C2 ZINC000827400484 587379979 /nfs/dbraw/zinc/37/99/79/587379979.db2.gz NCKMMUDDGMMLGZ-UHFFFAOYSA-N 0 3 248.370 3.304 20 0 BGADHN CC(C)N(C[C@]1(C)CC1(Cl)Cl)C1CC1 ZINC000827415629 587380439 /nfs/dbraw/zinc/38/04/39/587380439.db2.gz JHYFOEMWVAAALD-JTQLQIEISA-N 0 3 236.186 3.443 20 0 BGADHN CC(C)N(C[C@@]1(C)CC1(Cl)Cl)C1CC1 ZINC000827415630 587380431 /nfs/dbraw/zinc/38/04/31/587380431.db2.gz JHYFOEMWVAAALD-SNVBAGLBSA-N 0 3 236.186 3.443 20 0 BGADHN CC(C)c1ncc(CN2CC[C@@H]3C[C@@H]3C2)s1 ZINC000827507006 587384507 /nfs/dbraw/zinc/38/45/07/587384507.db2.gz RAWRKPCZGNLZCS-GHMZBOCLSA-N 0 3 236.384 3.108 20 0 BGADHN CC(C)c1ncc(CN2CC[C@H]3C[C@H]3C2)s1 ZINC000827507008 587384628 /nfs/dbraw/zinc/38/46/28/587384628.db2.gz RAWRKPCZGNLZCS-QWRGUYRKSA-N 0 3 236.384 3.108 20 0 BGADHN CC1(C)C[C@@]1(C)NCc1ccnc(Cl)c1F ZINC000827591533 587391171 /nfs/dbraw/zinc/39/11/71/587391171.db2.gz RXLNKNHSOTVVEY-GFCCVEGCSA-N 0 3 242.725 3.152 20 0 BGADHN CC1(C)C[C@]1(C)NCc1ccnc(Cl)c1F ZINC000827591535 587391225 /nfs/dbraw/zinc/39/12/25/587391225.db2.gz RXLNKNHSOTVVEY-LBPRGKRZSA-N 0 3 242.725 3.152 20 0 BGADHN Fc1ccc(CN2CCC[C@H](C3CCC3)C2)cn1 ZINC000827626587 587393023 /nfs/dbraw/zinc/39/30/23/587393023.db2.gz CIJZGBGOWSEHBK-AWEZNQCLSA-N 0 3 248.345 3.233 20 0 BGADHN Fc1ccc(CN2CCC[C@@H](C3CCC3)C2)cn1 ZINC000827626588 587393290 /nfs/dbraw/zinc/39/32/90/587393290.db2.gz CIJZGBGOWSEHBK-CQSZACIVSA-N 0 3 248.345 3.233 20 0 BGADHN CCC(CC)CCCN(C)Cc1cncnc1 ZINC000827626991 587393170 /nfs/dbraw/zinc/39/31/70/587393170.db2.gz LGMORMIBYYQGCT-UHFFFAOYSA-N 0 3 235.375 3.125 20 0 BGADHN c1cc(CN2CCC[C@H](C3CCC3)C2)co1 ZINC000827627227 587393587 /nfs/dbraw/zinc/39/35/87/587393587.db2.gz MZZAHRIPRJEFQO-AWEZNQCLSA-N 0 3 219.328 3.292 20 0 BGADHN c1cc(CN2CCC[C@@H](C3CCC3)C2)co1 ZINC000827627228 587393488 /nfs/dbraw/zinc/39/34/88/587393488.db2.gz MZZAHRIPRJEFQO-CQSZACIVSA-N 0 3 219.328 3.292 20 0 BGADHN CCC(CC)CCCN(C)Cc1ccc(C)nn1 ZINC000827627724 587393422 /nfs/dbraw/zinc/39/34/22/587393422.db2.gz ZWLXHSUGWYVPDE-UHFFFAOYSA-N 0 3 249.402 3.433 20 0 BGADHN CC(C)CC1(NCc2cc(F)ncc2F)CC1 ZINC000827643104 587394249 /nfs/dbraw/zinc/39/42/49/587394249.db2.gz GGZHXSQGRSZJQT-UHFFFAOYSA-N 0 3 240.297 3.028 20 0 BGADHN CCCN(C[C@]1(C)CC1(Cl)Cl)C1CC1 ZINC000827681111 587395947 /nfs/dbraw/zinc/39/59/47/587395947.db2.gz WLFGOQRDPOAGTH-JTQLQIEISA-N 0 3 236.186 3.445 20 0 BGADHN CCCN(C[C@@]1(C)CC1(Cl)Cl)C1CC1 ZINC000827681113 587396067 /nfs/dbraw/zinc/39/60/67/587396067.db2.gz WLFGOQRDPOAGTH-SNVBAGLBSA-N 0 3 236.186 3.445 20 0 BGADHN CCC(=O)CCCN1CCc2c(C)cccc2C1 ZINC000827683968 587395977 /nfs/dbraw/zinc/39/59/77/587395977.db2.gz BHSLIQWLIHGSNA-UHFFFAOYSA-N 0 3 245.366 3.112 20 0 BGADHN CCc1cc(N2CCC3(CCCC3)C2)ccn1 ZINC000827696574 587397623 /nfs/dbraw/zinc/39/76/23/587397623.db2.gz LVCDQAYALWJFLI-UHFFFAOYSA-N 0 3 230.355 3.415 20 0 BGADHN Cc1ccccc1CN(C)CCC(=O)CC(C)C ZINC000827707856 587397913 /nfs/dbraw/zinc/39/79/13/587397913.db2.gz QABNLRJWBQAVQB-UHFFFAOYSA-N 0 3 247.382 3.432 20 0 BGADHN COc1ccc(CN(C)CC2=CCCC2)cc1F ZINC000827712528 587398351 /nfs/dbraw/zinc/39/83/51/587398351.db2.gz INZWGZMGMYPBMV-UHFFFAOYSA-N 0 3 249.329 3.376 20 0 BGADHN CC(C)CC(=O)CCN(C)Cc1ccccc1 ZINC000827720279 587399227 /nfs/dbraw/zinc/39/92/27/587399227.db2.gz VUTLZSRNXRAHSW-UHFFFAOYSA-N 0 3 233.355 3.124 20 0 BGADHN CC1(C)CC(NCc2ccnc(Cl)c2F)C1 ZINC000827779840 587402056 /nfs/dbraw/zinc/40/20/56/587402056.db2.gz OWKMSYOOSAPPEA-UHFFFAOYSA-N 0 3 242.725 3.152 20 0 BGADHN CCC1CCN(CCC(=O)CC(C)C)CC1 ZINC000827798922 587403086 /nfs/dbraw/zinc/40/30/86/587403086.db2.gz NZIKPCZZHHAEQJ-UHFFFAOYSA-N 0 3 225.376 3.114 20 0 BGADHN CN(C[C@@]1(C)CC1(Cl)Cl)C1CCC1 ZINC000827899207 587408534 /nfs/dbraw/zinc/40/85/34/587408534.db2.gz CSABNHCJTWUFCW-SECBINFHSA-N 0 3 222.159 3.055 20 0 BGADHN CN(C[C@]1(C)CC1(Cl)Cl)C1CCC1 ZINC000827899208 587408343 /nfs/dbraw/zinc/40/83/43/587408343.db2.gz CSABNHCJTWUFCW-VIFPVBQESA-N 0 3 222.159 3.055 20 0 BGADHN CC(C)CC(=O)CCN1CC[C@@H](c2ccco2)C1 ZINC000827919143 587409958 /nfs/dbraw/zinc/40/99/58/587409958.db2.gz DSSPXEDZAXYJAL-CYBMUJFWSA-N 0 3 249.354 3.074 20 0 BGADHN CC(C)CC(=O)CCN1CC[C@H](c2ccco2)C1 ZINC000827919145 587410054 /nfs/dbraw/zinc/41/00/54/587410054.db2.gz DSSPXEDZAXYJAL-ZDUSSCGKSA-N 0 3 249.354 3.074 20 0 BGADHN CC(C)CC(=O)CCN1CCCC(C)(C)C1 ZINC000827920474 587409760 /nfs/dbraw/zinc/40/97/60/587409760.db2.gz ZYEQDDORTWIBJL-UHFFFAOYSA-N 0 3 225.376 3.114 20 0 BGADHN Cc1nc(F)ccc1CN(C)C[C@H]1CC1(C)C ZINC000827941727 587411931 /nfs/dbraw/zinc/41/19/31/587411931.db2.gz HKVJLOSLJYSNEO-GFCCVEGCSA-N 0 3 236.334 3.007 20 0 BGADHN Cc1nc(F)ccc1CN(C)C[C@@H]1CC1(C)C ZINC000827941734 587411666 /nfs/dbraw/zinc/41/16/66/587411666.db2.gz HKVJLOSLJYSNEO-LBPRGKRZSA-N 0 3 236.334 3.007 20 0 BGADHN CC(C)CC(=O)CCN1CCC[C@H]1c1ccc[nH]1 ZINC000828025459 587417023 /nfs/dbraw/zinc/41/70/23/587417023.db2.gz JVNAYPRPCRQWLN-HNNXBMFYSA-N 0 3 248.370 3.157 20 0 BGADHN CC(C)CC(=O)CCN1CCC[C@@H]1c1ccc[nH]1 ZINC000828025460 587417246 /nfs/dbraw/zinc/41/72/46/587417246.db2.gz JVNAYPRPCRQWLN-OAHLLOKOSA-N 0 3 248.370 3.157 20 0 BGADHN CCN(CCc1ccccn1)CC1=CCCC1 ZINC000828031448 587416936 /nfs/dbraw/zinc/41/69/36/587416936.db2.gz UOODSNOQHREYPJ-UHFFFAOYSA-N 0 3 230.355 3.056 20 0 BGADHN CC[C@H](CSC)N(C)CCC(=O)CC(C)C ZINC000828133393 587420294 /nfs/dbraw/zinc/42/02/94/587420294.db2.gz YVVYNUQUFQYBST-GFCCVEGCSA-N 0 3 245.432 3.065 20 0 BGADHN CC[C@@H](CSC)N(C)CCC(=O)CC(C)C ZINC000828133395 587420071 /nfs/dbraw/zinc/42/00/71/587420071.db2.gz YVVYNUQUFQYBST-LBPRGKRZSA-N 0 3 245.432 3.065 20 0 BGADHN CC(C)[C@H](NCC1=CCCC1)c1ccccn1 ZINC000828160453 587422307 /nfs/dbraw/zinc/42/23/07/587422307.db2.gz YEFLCIGIVPTFJA-HNNXBMFYSA-N 0 3 230.355 3.479 20 0 BGADHN CC(C)[C@@H](NCC1=CCCC1)c1ccccn1 ZINC000828160455 587422295 /nfs/dbraw/zinc/42/22/95/587422295.db2.gz YEFLCIGIVPTFJA-OAHLLOKOSA-N 0 3 230.355 3.479 20 0 BGADHN CCC(C)(CC)NCc1nnc(C(C)C)s1 ZINC000828373056 587438826 /nfs/dbraw/zinc/43/88/26/587438826.db2.gz ONWKHFCKIKHQAO-UHFFFAOYSA-N 0 3 241.404 3.330 20 0 BGADHN CCC(C)(CC)NCc1nnc(C2CC2)s1 ZINC000828373333 587438871 /nfs/dbraw/zinc/43/88/71/587438871.db2.gz SWBHWJHZKLPALN-UHFFFAOYSA-N 0 3 239.388 3.084 20 0 BGADHN C[C@H](NCC1=CCCC1)c1ccc(Cl)nc1 ZINC000828415802 587441290 /nfs/dbraw/zinc/44/12/90/587441290.db2.gz XMXWUXKBGVYWDJ-JTQLQIEISA-N 0 3 236.746 3.496 20 0 BGADHN C[C@@H](NCC1=CCCC1)c1ccc(Cl)nc1 ZINC000828415803 587441093 /nfs/dbraw/zinc/44/10/93/587441093.db2.gz XMXWUXKBGVYWDJ-SNVBAGLBSA-N 0 3 236.746 3.496 20 0 BGADHN CC(C)C[C@@H](C)CN1CC(C(F)(F)F)C1 ZINC000828415934 587441239 /nfs/dbraw/zinc/44/12/39/587441239.db2.gz ZSZQTAHYPATKRA-SECBINFHSA-N 0 3 223.282 3.163 20 0 BGADHN CC(C)C[C@H](C)CN1CC(C(F)(F)F)C1 ZINC000828415935 587441247 /nfs/dbraw/zinc/44/12/47/587441247.db2.gz ZSZQTAHYPATKRA-VIFPVBQESA-N 0 3 223.282 3.163 20 0 BGADHN CC1=C(C)CN(CCC(=O)CC(C)C)CC1 ZINC000828457524 587443405 /nfs/dbraw/zinc/44/34/05/587443405.db2.gz TZSBLAGDDLZCMY-UHFFFAOYSA-N 0 3 223.360 3.034 20 0 BGADHN C[C@H](NCC1=CCCC1)c1ccnc(Cl)c1 ZINC000828457957 587443462 /nfs/dbraw/zinc/44/34/62/587443462.db2.gz ZVHNYCHOJVTZEB-JTQLQIEISA-N 0 3 236.746 3.496 20 0 BGADHN C[C@@H](NCC1=CCCC1)c1ccnc(Cl)c1 ZINC000828457959 587443529 /nfs/dbraw/zinc/44/35/29/587443529.db2.gz ZVHNYCHOJVTZEB-SNVBAGLBSA-N 0 3 236.746 3.496 20 0 BGADHN CC1=CCN(C[C@]2(C)CC2(Cl)Cl)CC1 ZINC000828492662 587445756 /nfs/dbraw/zinc/44/57/56/587445756.db2.gz PSRZDJHWDDOABX-JTQLQIEISA-N 0 3 234.170 3.222 20 0 BGADHN CC1=CCN(C[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000828492664 587445381 /nfs/dbraw/zinc/44/53/81/587445381.db2.gz PSRZDJHWDDOABX-SNVBAGLBSA-N 0 3 234.170 3.222 20 0 BGADHN Cc1cccc(Cl)c1CN1CC[C@H]2C[C@H]21 ZINC000828533577 587448382 /nfs/dbraw/zinc/44/83/82/587448382.db2.gz DCCODZNSJVWMFZ-GXFFZTMASA-N 0 3 221.731 3.243 20 0 BGADHN Cc1cccc(Cl)c1CN1CC[C@@H]2C[C@@H]21 ZINC000828533578 587448317 /nfs/dbraw/zinc/44/83/17/587448317.db2.gz DCCODZNSJVWMFZ-MFKMUULPSA-N 0 3 221.731 3.243 20 0 BGADHN CC(C)CC(=O)CCN1CCC(C2CC2)CC1 ZINC000828565529 587450643 /nfs/dbraw/zinc/45/06/43/587450643.db2.gz DYHWPJAYWPXCNA-UHFFFAOYSA-N 0 3 237.387 3.114 20 0 BGADHN CC(C)[C@@H](NCCC(C)(F)F)c1ccccn1 ZINC000828693655 587457320 /nfs/dbraw/zinc/45/73/20/587457320.db2.gz VBTJFXVZKSHMNZ-GFCCVEGCSA-N 0 3 242.313 3.414 20 0 BGADHN CC(C)[C@H](NCCC(C)(F)F)c1ccccn1 ZINC000828693659 587457360 /nfs/dbraw/zinc/45/73/60/587457360.db2.gz VBTJFXVZKSHMNZ-LBPRGKRZSA-N 0 3 242.313 3.414 20 0 BGADHN C[C@@]1(CN2CCCC3(CC3)C2)CC1(Cl)Cl ZINC000828927304 587472836 /nfs/dbraw/zinc/47/28/36/587472836.db2.gz GAILUGBVQLCHQX-JTQLQIEISA-N 0 3 248.197 3.446 20 0 BGADHN C[C@]1(CN2CCCC3(CC3)C2)CC1(Cl)Cl ZINC000828927308 587473024 /nfs/dbraw/zinc/47/30/24/587473024.db2.gz GAILUGBVQLCHQX-SNVBAGLBSA-N 0 3 248.197 3.446 20 0 BGADHN CC(C)(CNCc1cccc(O)c1)C(C)(F)F ZINC000829279797 592707776 /nfs/dbraw/zinc/70/77/76/592707776.db2.gz VYVJFSFIPGZAHV-UHFFFAOYSA-N 0 3 243.297 3.163 20 0 BGADHN C[C@@H]1C[C@@H](C)N1C[C@]1(C)CC1(Cl)Cl ZINC000829336432 587493355 /nfs/dbraw/zinc/49/33/55/587493355.db2.gz QZYCFSOSQRUGMO-HLTSFMKQSA-N 0 3 222.159 3.053 20 0 BGADHN C[C@@H]1C[C@H](C)N1C[C@@]1(C)CC1(Cl)Cl ZINC000829336434 587493208 /nfs/dbraw/zinc/49/32/08/587493208.db2.gz QZYCFSOSQRUGMO-HRDYMLBCSA-N 0 3 222.159 3.053 20 0 BGADHN C[C@@H]1C[C@@H](C)N1C[C@@]1(C)CC1(Cl)Cl ZINC000829336436 587493587 /nfs/dbraw/zinc/49/35/87/587493587.db2.gz QZYCFSOSQRUGMO-IWSPIJDZSA-N 0 3 222.159 3.053 20 0 BGADHN C[C@@H]1C[C@H](C)N1C[C@]1(C)CC1(Cl)Cl ZINC000829336438 587493500 /nfs/dbraw/zinc/49/35/00/587493500.db2.gz QZYCFSOSQRUGMO-YIZRAAEISA-N 0 3 222.159 3.053 20 0 BGADHN COc1cccc([C@H](C)N[C@H]2C=CCC2)c1 ZINC000829347812 582856181 /nfs/dbraw/zinc/85/61/81/582856181.db2.gz NORGCTOPGKNODB-AAEUAGOBSA-N 0 3 217.312 3.064 20 0 BGADHN COc1cccc([C@@H](C)N[C@@H]2C=CCC2)c1 ZINC000829347814 582856209 /nfs/dbraw/zinc/85/62/09/582856209.db2.gz NORGCTOPGKNODB-DGCLKSJQSA-N 0 3 217.312 3.064 20 0 BGADHN COc1cccc([C@H](C)N[C@@H]2C=CCC2)c1 ZINC000829347816 582856017 /nfs/dbraw/zinc/85/60/17/582856017.db2.gz NORGCTOPGKNODB-WCQYABFASA-N 0 3 217.312 3.064 20 0 BGADHN COc1cccc([C@@H](C)N[C@H]2C=CCC2)c1 ZINC000829347818 582856577 /nfs/dbraw/zinc/85/65/77/582856577.db2.gz NORGCTOPGKNODB-YPMHNXCESA-N 0 3 217.312 3.064 20 0 BGADHN FC1(F)CC[C@@H](CN2CCC(F)(F)CC2)C1 ZINC000829366762 587494413 /nfs/dbraw/zinc/49/44/13/587494413.db2.gz MLNSWWZFDSTVFU-SECBINFHSA-N 0 3 239.256 3.153 20 0 BGADHN FC1(F)CC[C@H](CN2CCC(F)(F)CC2)C1 ZINC000829366763 587494491 /nfs/dbraw/zinc/49/44/91/587494491.db2.gz MLNSWWZFDSTVFU-VIFPVBQESA-N 0 3 239.256 3.153 20 0 BGADHN CC(C)(C)OC1CC(N2CCC(F)(F)CC2)C1 ZINC000829367967 587494537 /nfs/dbraw/zinc/49/45/37/587494537.db2.gz YNFFGSJDGUFVHH-UHFFFAOYSA-N 0 3 247.329 3.064 20 0 BGADHN C[C@@H](NCCC(C)(F)F)c1ccnc(Cl)c1 ZINC000829390466 587495171 /nfs/dbraw/zinc/49/51/71/587495171.db2.gz KQSCQSNJGHIONQ-MRVPVSSYSA-N 0 3 248.704 3.431 20 0 BGADHN C[C@H](NCCC(C)(F)F)c1ccnc(Cl)c1 ZINC000829390467 587495196 /nfs/dbraw/zinc/49/51/96/587495196.db2.gz KQSCQSNJGHIONQ-QMMMGPOBSA-N 0 3 248.704 3.431 20 0 BGADHN CC1=C[C@H](C)CN(C[C@@]2(C)CC2(Cl)Cl)C1 ZINC000829397508 587495703 /nfs/dbraw/zinc/49/57/03/587495703.db2.gz IXFTWXLBAXMWEF-GXSJLCMTSA-N 0 3 248.197 3.468 20 0 BGADHN CC1=C[C@@H](C)CN(C[C@]2(C)CC2(Cl)Cl)C1 ZINC000829397509 587496114 /nfs/dbraw/zinc/49/61/14/587496114.db2.gz IXFTWXLBAXMWEF-KOLCDFICSA-N 0 3 248.197 3.468 20 0 BGADHN CC1=C[C@@H](C)CN(C[C@@]2(C)CC2(Cl)Cl)C1 ZINC000829397510 587496050 /nfs/dbraw/zinc/49/60/50/587496050.db2.gz IXFTWXLBAXMWEF-MWLCHTKSSA-N 0 3 248.197 3.468 20 0 BGADHN CC1=C[C@H](C)CN(C[C@]2(C)CC2(Cl)Cl)C1 ZINC000829397511 587495891 /nfs/dbraw/zinc/49/58/91/587495891.db2.gz IXFTWXLBAXMWEF-ONGXEEELSA-N 0 3 248.197 3.468 20 0 BGADHN CC1=CCCN(C[C@]2(C)CC2(Cl)Cl)C1 ZINC000829404073 587496211 /nfs/dbraw/zinc/49/62/11/587496211.db2.gz SOXMZWOUXBKJGL-JTQLQIEISA-N 0 3 234.170 3.222 20 0 BGADHN CC1=CCCN(C[C@@]2(C)CC2(Cl)Cl)C1 ZINC000829404074 587496401 /nfs/dbraw/zinc/49/64/01/587496401.db2.gz SOXMZWOUXBKJGL-SNVBAGLBSA-N 0 3 234.170 3.222 20 0 BGADHN Cc1ccccc1C1(NC/C=C/Cl)CC1 ZINC000829483727 587500366 /nfs/dbraw/zinc/50/03/66/587500366.db2.gz LHJFDFJTGUOEGW-RUDMXATFSA-N 0 3 221.731 3.326 20 0 BGADHN Cc1ccccc1C1(NC/C=C\Cl)CC1 ZINC000829483728 587500445 /nfs/dbraw/zinc/50/04/45/587500445.db2.gz LHJFDFJTGUOEGW-WTKPLQERSA-N 0 3 221.731 3.326 20 0 BGADHN CN(C)c1cc(CN(C)CCC(C)(C)C)ccn1 ZINC000829945427 587529599 /nfs/dbraw/zinc/52/95/99/587529599.db2.gz QJIJOPIZBIQNGS-UHFFFAOYSA-N 0 3 249.402 3.016 20 0 BGADHN CN(CCC(C)(C)C)Cc1ccc(F)cn1 ZINC000829947417 587529513 /nfs/dbraw/zinc/52/95/13/587529513.db2.gz XTCSEWFLDAHHIP-UHFFFAOYSA-N 0 3 224.323 3.089 20 0 BGADHN Cc1ccc(SCCN2CCCC2)s1 ZINC000830043521 587533661 /nfs/dbraw/zinc/53/36/61/587533661.db2.gz YDQMPWPLZRILNI-UHFFFAOYSA-N 0 3 227.398 3.244 20 0 BGADHN Cc1ccc(SC[C@H]2CCN(C)C2)s1 ZINC000830056968 587534134 /nfs/dbraw/zinc/53/41/34/587534134.db2.gz LKJPAONQRSKCJH-JTQLQIEISA-N 0 3 227.398 3.100 20 0 BGADHN CC1(C)CCC[C@H]1[C@@H]1CCN(CCF)C1 ZINC000830177006 587540307 /nfs/dbraw/zinc/54/03/07/587540307.db2.gz JAAIYRMUWWHOSP-NEPJUHHUSA-N 0 3 213.340 3.104 20 0 BGADHN CC1(C)CCC[C@@H]1[C@H]1CCN(CCF)C1 ZINC000830177007 587540175 /nfs/dbraw/zinc/54/01/75/587540175.db2.gz JAAIYRMUWWHOSP-NWDGAFQWSA-N 0 3 213.340 3.104 20 0 BGADHN CC1(C)CCC[C@H]1[C@H]1CCN(CCF)C1 ZINC000830177008 587540256 /nfs/dbraw/zinc/54/02/56/587540256.db2.gz JAAIYRMUWWHOSP-RYUDHWBXSA-N 0 3 213.340 3.104 20 0 BGADHN CC1(C)CCC[C@@H]1[C@@H]1CCN(CCF)C1 ZINC000830177009 587540372 /nfs/dbraw/zinc/54/03/72/587540372.db2.gz JAAIYRMUWWHOSP-VXGBXAGGSA-N 0 3 213.340 3.104 20 0 BGADHN CC(C)(C)OCCCN1CCC[C@@](C)(F)C1 ZINC000830211760 587541106 /nfs/dbraw/zinc/54/11/06/587541106.db2.gz BUOPOOBZOMWPKY-CYBMUJFWSA-N 0 3 231.355 3.016 20 0 BGADHN CC(C)(C)OCCCN1CCC[C@](C)(F)C1 ZINC000830211762 587540941 /nfs/dbraw/zinc/54/09/41/587540941.db2.gz BUOPOOBZOMWPKY-ZDUSSCGKSA-N 0 3 231.355 3.016 20 0 BGADHN CC(C)(C)SCCN1CCC[C@@](C)(F)C1 ZINC000830211989 587541184 /nfs/dbraw/zinc/54/11/84/587541184.db2.gz IMLCVWYVCDFCMB-GFCCVEGCSA-N 0 3 233.396 3.342 20 0 BGADHN CC(C)(C)SCCN1CCC[C@](C)(F)C1 ZINC000830211990 587541046 /nfs/dbraw/zinc/54/10/46/587541046.db2.gz IMLCVWYVCDFCMB-LBPRGKRZSA-N 0 3 233.396 3.342 20 0 BGADHN C[C@@]1(F)CCCN(CCc2cccs2)C1 ZINC000830213225 587541921 /nfs/dbraw/zinc/54/19/21/587541921.db2.gz ZYHDULNFEGDUGL-GFCCVEGCSA-N 0 3 227.348 3.115 20 0 BGADHN C[C@]1(F)CCCN(CCc2cccs2)C1 ZINC000830213226 587541482 /nfs/dbraw/zinc/54/14/82/587541482.db2.gz ZYHDULNFEGDUGL-LBPRGKRZSA-N 0 3 227.348 3.115 20 0 BGADHN Cc1ccccc1CCN(C)CCC(=O)C(C)C ZINC000830390758 587548942 /nfs/dbraw/zinc/54/89/42/587548942.db2.gz DTZYGMJCIAPPNX-UHFFFAOYSA-N 0 3 247.382 3.085 20 0 BGADHN C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1CCF ZINC000830440638 587551464 /nfs/dbraw/zinc/55/14/64/587551464.db2.gz RUOFIBALUKGXNX-BZPMIXESSA-N 0 3 221.319 3.222 20 0 BGADHN C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1CCF ZINC000830440639 587551171 /nfs/dbraw/zinc/55/11/71/587551171.db2.gz RUOFIBALUKGXNX-DYEKYZERSA-N 0 3 221.319 3.222 20 0 BGADHN C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1CCF ZINC000830440641 587551079 /nfs/dbraw/zinc/55/10/79/587551079.db2.gz RUOFIBALUKGXNX-MBNYWOFBSA-N 0 3 221.319 3.222 20 0 BGADHN C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1CCF ZINC000830440642 587551123 /nfs/dbraw/zinc/55/11/23/587551123.db2.gz RUOFIBALUKGXNX-YRGRVCCFSA-N 0 3 221.319 3.222 20 0 BGADHN CN(Cc1cncc(C(F)(F)F)c1)C(C)(C)C ZINC000830566368 587558547 /nfs/dbraw/zinc/55/85/47/587558547.db2.gz QUEGGHOSNPZJHS-UHFFFAOYSA-N 0 3 246.276 3.331 20 0 BGADHN Clc1ncccc1CN[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000830566418 587558381 /nfs/dbraw/zinc/55/83/81/587558381.db2.gz RODPDHCPNYPHSK-ADEWGFFLSA-N 0 3 236.746 3.013 20 0 BGADHN Clc1nc(CN[C@@H]2CCC[C@@H]3C[C@@H]32)cs1 ZINC000830567041 587558950 /nfs/dbraw/zinc/55/89/50/587558950.db2.gz ZMYNCVUNMYXVIX-FKTZTGRPSA-N 0 3 242.775 3.075 20 0 BGADHN Clc1cccc(CN[C@@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC000830585858 587559260 /nfs/dbraw/zinc/55/92/60/587559260.db2.gz MDYUFXULGYNKMC-ADEWGFFLSA-N 0 3 236.746 3.013 20 0 BGADHN CCC[C@H]1CCCC[C@H]1CNCc1cn(C)cn1 ZINC000830714995 587564812 /nfs/dbraw/zinc/56/48/12/587564812.db2.gz SIWRYHDAGUSSFQ-KBPBESRZSA-N 0 3 249.402 3.116 20 0 BGADHN CCC[C@@H]1CCCC[C@H]1CNCc1cn(C)cn1 ZINC000830714996 587564620 /nfs/dbraw/zinc/56/46/20/587564620.db2.gz SIWRYHDAGUSSFQ-KGLIPLIRSA-N 0 3 249.402 3.116 20 0 BGADHN CCC[C@H]1CCCC[C@@H]1CNCc1cn(C)cn1 ZINC000830714997 587564971 /nfs/dbraw/zinc/56/49/71/587564971.db2.gz SIWRYHDAGUSSFQ-UONOGXRCSA-N 0 3 249.402 3.116 20 0 BGADHN CCC[C@@H]1CCCC[C@@H]1CNCc1cn(C)cn1 ZINC000830714998 587564959 /nfs/dbraw/zinc/56/49/59/587564959.db2.gz SIWRYHDAGUSSFQ-ZIAGYGMSSA-N 0 3 249.402 3.116 20 0 BGADHN CC(=O)CCN1Cc2cccc(C)c2CC1(C)C ZINC000830751501 587567230 /nfs/dbraw/zinc/56/72/30/587567230.db2.gz XSHUEOQFQIXAAM-UHFFFAOYSA-N 0 3 245.366 3.111 20 0 BGADHN Cc1oncc1CN1CCCC[C@H]1C1CCC1 ZINC000830989162 587580091 /nfs/dbraw/zinc/58/00/91/587580091.db2.gz SVXHGUAGKSCBPB-AWEZNQCLSA-N 0 3 234.343 3.138 20 0 BGADHN Cc1oncc1CN1CCCC[C@@H]1C1CCC1 ZINC000830989164 587579813 /nfs/dbraw/zinc/57/98/13/587579813.db2.gz SVXHGUAGKSCBPB-CQSZACIVSA-N 0 3 234.343 3.138 20 0 BGADHN Fc1ccc(CN2CCCC[C@H]2C2CCC2)nc1 ZINC000830989459 587580277 /nfs/dbraw/zinc/58/02/77/587580277.db2.gz VPCKRFKAZFNWEI-HNNXBMFYSA-N 0 3 248.345 3.375 20 0 BGADHN Fc1ccc(CN2CCCC[C@@H]2C2CCC2)nc1 ZINC000830989476 587580086 /nfs/dbraw/zinc/58/00/86/587580086.db2.gz VPCKRFKAZFNWEI-OAHLLOKOSA-N 0 3 248.345 3.375 20 0 BGADHN CCN(CCSC)Cc1ccc(CF)cc1 ZINC000830999418 587581390 /nfs/dbraw/zinc/58/13/90/587581390.db2.gz KDRRDRYSCRCBPG-UHFFFAOYSA-N 0 3 241.375 3.341 20 0 BGADHN CCCCCCN(C)Cc1ccc(C)cn1 ZINC000831053201 587584259 /nfs/dbraw/zinc/58/42/59/587584259.db2.gz BCMWQMHPBWFJLV-UHFFFAOYSA-N 0 3 220.360 3.402 20 0 BGADHN CCCCN(CCF)[C@@H]1CCCC[C@H]1OC ZINC000831786956 587632123 /nfs/dbraw/zinc/63/21/23/587632123.db2.gz HPOFLTQPHCRHKB-CHWSQXEVSA-N 0 3 231.355 3.016 20 0 BGADHN Cc1noc([C@@H](C)N2CCCCCCCC2)n1 ZINC000831925862 587636757 /nfs/dbraw/zinc/63/67/57/587636757.db2.gz DFXSKQRXFLIMLK-LLVKDONJSA-N 0 3 237.347 3.095 20 0 BGADHN Cc1noc([C@H](C)N2CCCCCCCC2)n1 ZINC000831925863 587636943 /nfs/dbraw/zinc/63/69/43/587636943.db2.gz DFXSKQRXFLIMLK-NSHDSACASA-N 0 3 237.347 3.095 20 0 BGADHN COc1ccnc(CN2CCCCCCCC2)c1 ZINC000831925872 587636811 /nfs/dbraw/zinc/63/68/11/587636811.db2.gz DRSIMGQDROPETM-UHFFFAOYSA-N 0 3 248.370 3.246 20 0 BGADHN Cc1cc(CN2CCCCCCCC2)no1 ZINC000831926211 587636969 /nfs/dbraw/zinc/63/69/69/587636969.db2.gz INYYDQNDUOQQNR-UHFFFAOYSA-N 0 3 222.332 3.139 20 0 BGADHN Cc1nc(CN2CCCCCCCC2)oc1C ZINC000831926287 587636848 /nfs/dbraw/zinc/63/68/48/587636848.db2.gz KZWDHBBXKZLPLU-UHFFFAOYSA-N 0 3 236.359 3.448 20 0 BGADHN Cc1cc(CN2CCCCCCCC2)on1 ZINC000831926621 587636417 /nfs/dbraw/zinc/63/64/17/587636417.db2.gz QVJYZJDXDMAEAE-UHFFFAOYSA-N 0 3 222.332 3.139 20 0 BGADHN Cc1nnc([C@@H](C)N2CCCCCCCC2)o1 ZINC000831926907 587636716 /nfs/dbraw/zinc/63/67/16/587636716.db2.gz YUKJRSWBUIBKGD-LLVKDONJSA-N 0 3 237.347 3.095 20 0 BGADHN Cc1nnc([C@H](C)N2CCCCCCCC2)o1 ZINC000831926908 587636899 /nfs/dbraw/zinc/63/68/99/587636899.db2.gz YUKJRSWBUIBKGD-NSHDSACASA-N 0 3 237.347 3.095 20 0 BGADHN CCc1cnc(CN2CCCCCCCC2)o1 ZINC000831932316 587636735 /nfs/dbraw/zinc/63/67/35/587636735.db2.gz ALERPISEHNWNRZ-UHFFFAOYSA-N 0 3 236.359 3.393 20 0 BGADHN Cc1cnc(CN2CCCCCCCC2)o1 ZINC000831933059 587637742 /nfs/dbraw/zinc/63/77/42/587637742.db2.gz RZCOEUFRCHICEE-UHFFFAOYSA-N 0 3 222.332 3.139 20 0 BGADHN COc1cncc(CN2CCCCCCCC2)c1 ZINC000831936805 587637802 /nfs/dbraw/zinc/63/78/02/587637802.db2.gz GGGUEDKQHHZRQL-UHFFFAOYSA-N 0 3 248.370 3.246 20 0 BGADHN Fc1ccc(CN2CCCCCCCC2)nc1 ZINC000831936840 587637232 /nfs/dbraw/zinc/63/72/32/587637232.db2.gz ICMNOTXKDARTFW-UHFFFAOYSA-N 0 3 236.334 3.377 20 0 BGADHN COc1ccc(CN2CCCCCCCC2)nc1 ZINC000831936982 587637761 /nfs/dbraw/zinc/63/77/61/587637761.db2.gz JWGHVVNTRSUECS-UHFFFAOYSA-N 0 3 248.370 3.246 20 0 BGADHN C[C@H](c1cnccn1)N1CCCCCCCC1 ZINC000831937597 587637654 /nfs/dbraw/zinc/63/76/54/587637654.db2.gz VJYVCDHGDWWWCF-CYBMUJFWSA-N 0 3 233.359 3.194 20 0 BGADHN C[C@@H](c1cnccn1)N1CCCCCCCC1 ZINC000831937598 587637788 /nfs/dbraw/zinc/63/77/88/587637788.db2.gz VJYVCDHGDWWWCF-ZDUSSCGKSA-N 0 3 233.359 3.194 20 0 BGADHN Cc1oncc1CN1CCCCCCCC1 ZINC000831937755 587637764 /nfs/dbraw/zinc/63/77/64/587637764.db2.gz VUTUTZPVWITPNN-UHFFFAOYSA-N 0 3 222.332 3.139 20 0 BGADHN C/C(=C\C(=O)Nc1cccc(CN)c1)C(C)(C)C ZINC000832223494 587651282 /nfs/dbraw/zinc/65/12/82/587651282.db2.gz QZLXYWUWOMQKIN-DHZHZOJOSA-N 0 3 246.354 3.076 20 0 BGADHN C/C(=C/C(=O)Nc1cccc(CN)c1)C(C)(C)C ZINC000832223495 587651154 /nfs/dbraw/zinc/65/11/54/587651154.db2.gz QZLXYWUWOMQKIN-FLIBITNWSA-N 0 3 246.354 3.076 20 0 BGADHN CC[C@@H]1CC[C@H](C)N(C/C=C\Cl)C1 ZINC000832469761 587661599 /nfs/dbraw/zinc/66/15/99/587661599.db2.gz VIVHWWMJFIBYFV-LEOBQNDHSA-N 0 3 201.741 3.249 20 0 BGADHN CC[C@@H]1CC[C@H](C)N(C/C=C/Cl)C1 ZINC000832469793 587661743 /nfs/dbraw/zinc/66/17/43/587661743.db2.gz VIVHWWMJFIBYFV-NAJRYUOPSA-N 0 3 201.741 3.249 20 0 BGADHN CC(=O)CCN1CCC[C@H]1c1ccc(F)cc1C ZINC000832523263 587664836 /nfs/dbraw/zinc/66/48/36/587664836.db2.gz FSCRCIRTNHUZQK-HNNXBMFYSA-N 0 3 249.329 3.250 20 0 BGADHN CC(=O)CCN1CCC[C@@H]1c1ccc(F)cc1C ZINC000832523265 587665124 /nfs/dbraw/zinc/66/51/24/587665124.db2.gz FSCRCIRTNHUZQK-OAHLLOKOSA-N 0 3 249.329 3.250 20 0 BGADHN C[C@H]1CCC(C)(C)N1Cc1cccc(Cl)n1 ZINC000832564221 587666246 /nfs/dbraw/zinc/66/62/46/587666246.db2.gz DFWOVLFODMZVRL-JTQLQIEISA-N 0 3 238.762 3.498 20 0 BGADHN C[C@@H]1CCC(C)(C)N1Cc1cccc(Cl)n1 ZINC000832564222 587666513 /nfs/dbraw/zinc/66/65/13/587666513.db2.gz DFWOVLFODMZVRL-SNVBAGLBSA-N 0 3 238.762 3.498 20 0 BGADHN C[C@H]1CCC(C)(C)N1Cc1cccnc1Cl ZINC000832564685 587666817 /nfs/dbraw/zinc/66/68/17/587666817.db2.gz JIBNAIYUSQHASE-JTQLQIEISA-N 0 3 238.762 3.498 20 0 BGADHN C[C@@H]1CCC(C)(C)N1Cc1cccnc1Cl ZINC000832564687 587667203 /nfs/dbraw/zinc/66/72/03/587667203.db2.gz JIBNAIYUSQHASE-SNVBAGLBSA-N 0 3 238.762 3.498 20 0 BGADHN C[C@H]1CCC(C)(C)N1Cc1ccnc(Cl)c1 ZINC000832565573 587667068 /nfs/dbraw/zinc/66/70/68/587667068.db2.gz VKTBKHJBLBZEHR-JTQLQIEISA-N 0 3 238.762 3.498 20 0 BGADHN C[C@@H]1CCC(C)(C)N1Cc1ccnc(Cl)c1 ZINC000832565575 587667274 /nfs/dbraw/zinc/66/72/74/587667274.db2.gz VKTBKHJBLBZEHR-SNVBAGLBSA-N 0 3 238.762 3.498 20 0 BGADHN Cc1cnc(CN2[C@H](C)CCC2(C)C)s1 ZINC000832565814 587666780 /nfs/dbraw/zinc/66/67/80/587666780.db2.gz WOXCYZJFEICNOX-SECBINFHSA-N 0 3 224.373 3.214 20 0 BGADHN Cc1cnc(CN2[C@@H](C)CCC2(C)C)s1 ZINC000832565821 587666894 /nfs/dbraw/zinc/66/68/94/587666894.db2.gz WOXCYZJFEICNOX-VIFPVBQESA-N 0 3 224.373 3.214 20 0 BGADHN C[C@H]1CCC(C)(C)N1Cc1ccc(Cl)nc1 ZINC000832566035 587667280 /nfs/dbraw/zinc/66/72/80/587667280.db2.gz YYGFPYBKXSBCDR-JTQLQIEISA-N 0 3 238.762 3.498 20 0 BGADHN C[C@@H]1CCC(C)(C)N1Cc1ccc(Cl)nc1 ZINC000832566037 587666947 /nfs/dbraw/zinc/66/69/47/587666947.db2.gz YYGFPYBKXSBCDR-SNVBAGLBSA-N 0 3 238.762 3.498 20 0 BGADHN Cc1ccc(CN(C)CCC(=O)C2CC2)cc1C ZINC000832634766 587671011 /nfs/dbraw/zinc/67/10/11/587671011.db2.gz UPCOLRKUHHKLFA-UHFFFAOYSA-N 0 3 245.366 3.104 20 0 BGADHN CCC(=O)CCN(C)Cc1ccc(C)c(C)c1 ZINC000832639569 587671571 /nfs/dbraw/zinc/67/15/71/587671571.db2.gz IKEDKUKVBNSIAH-UHFFFAOYSA-N 0 3 233.355 3.104 20 0 BGADHN CCC1(CC)CN(C[C@H](O)c2ccc(C)cc2)C1 ZINC000834377752 587753586 /nfs/dbraw/zinc/75/35/86/587753586.db2.gz HVWKHWOJPNZPDP-HNNXBMFYSA-N 0 3 247.382 3.150 20 0 BGADHN CCC1(CC)CN(C[C@@H](O)c2ccc(C)cc2)C1 ZINC000834377765 587753598 /nfs/dbraw/zinc/75/35/98/587753598.db2.gz HVWKHWOJPNZPDP-OAHLLOKOSA-N 0 3 247.382 3.150 20 0 BGADHN CCC1(CC)CN(C[C@H](O)c2ccccc2C)C1 ZINC000834378594 587753570 /nfs/dbraw/zinc/75/35/70/587753570.db2.gz PZVLJIKGSRIBHP-HNNXBMFYSA-N 0 3 247.382 3.150 20 0 BGADHN CCC1(CC)CN(C[C@@H](O)c2ccccc2C)C1 ZINC000834378596 587753540 /nfs/dbraw/zinc/75/35/40/587753540.db2.gz PZVLJIKGSRIBHP-OAHLLOKOSA-N 0 3 247.382 3.150 20 0 BGADHN CCCCCCN[C@H](C)c1nccn1CC ZINC000834487357 587756676 /nfs/dbraw/zinc/75/66/76/587756676.db2.gz BYCDLNUGIQPQGV-GFCCVEGCSA-N 0 3 223.364 3.134 20 0 BGADHN CCCCCCN[C@@H](C)c1nccn1CC ZINC000834487358 587756820 /nfs/dbraw/zinc/75/68/20/587756820.db2.gz BYCDLNUGIQPQGV-LBPRGKRZSA-N 0 3 223.364 3.134 20 0 BGADHN CCc1cc(CN[C@@H](C)c2csc(C)c2)n[nH]1 ZINC000834585022 587760137 /nfs/dbraw/zinc/76/01/37/587760137.db2.gz CQXJBZICTXWSKM-JTQLQIEISA-N 0 3 249.383 3.193 20 0 BGADHN CCc1cc(CN[C@H](C)c2csc(C)c2)n[nH]1 ZINC000834585023 587760161 /nfs/dbraw/zinc/76/01/61/587760161.db2.gz CQXJBZICTXWSKM-SNVBAGLBSA-N 0 3 249.383 3.193 20 0 BGADHN CCc1cc(CN[C@H](CC)c2ccsc2)n[nH]1 ZINC000834585141 587760096 /nfs/dbraw/zinc/76/00/96/587760096.db2.gz HDUOOZDNBZVARS-CYBMUJFWSA-N 0 3 249.383 3.275 20 0 BGADHN CCc1cc(CN[C@@H](CC)c2ccsc2)n[nH]1 ZINC000834585142 584914005 /nfs/dbraw/zinc/91/40/05/584914005.db2.gz HDUOOZDNBZVARS-ZDUSSCGKSA-N 0 3 249.383 3.275 20 0 BGADHN CCn1ccnc1[C@@H](C)NCCCCC(C)C ZINC000834599034 587760276 /nfs/dbraw/zinc/76/02/76/587760276.db2.gz VSPSRCJMHOTEFA-CYBMUJFWSA-N 0 3 237.391 3.380 20 0 BGADHN CCn1ccnc1[C@H](C)NCCCCC(C)C ZINC000834599036 587760290 /nfs/dbraw/zinc/76/02/90/587760290.db2.gz VSPSRCJMHOTEFA-ZDUSSCGKSA-N 0 3 237.391 3.380 20 0 BGADHN CCC(C)(C)[C@H](C)NCc1cccc(F)n1 ZINC000834689002 587764286 /nfs/dbraw/zinc/76/42/86/587764286.db2.gz HOUGPCSIZRYJTP-JTQLQIEISA-N 0 3 224.323 3.135 20 0 BGADHN CCC(C)(C)[C@@H](C)NCc1cccc(F)n1 ZINC000834689006 587764256 /nfs/dbraw/zinc/76/42/56/587764256.db2.gz HOUGPCSIZRYJTP-SNVBAGLBSA-N 0 3 224.323 3.135 20 0 BGADHN CC[C@H](N[C@@H](C)c1ccc[nH]1)c1ccncc1 ZINC000834693730 587764482 /nfs/dbraw/zinc/76/44/82/587764482.db2.gz QKDSGTHDFSINHI-AAEUAGOBSA-N 0 3 229.327 3.212 20 0 BGADHN CC[C@@H](N[C@H](C)c1ccc[nH]1)c1ccncc1 ZINC000834693731 587764437 /nfs/dbraw/zinc/76/44/37/587764437.db2.gz QKDSGTHDFSINHI-DGCLKSJQSA-N 0 3 229.327 3.212 20 0 BGADHN CC[C@@H](N[C@@H](C)c1ccc[nH]1)c1ccncc1 ZINC000834693733 587764500 /nfs/dbraw/zinc/76/45/00/587764500.db2.gz QKDSGTHDFSINHI-WCQYABFASA-N 0 3 229.327 3.212 20 0 BGADHN CC[C@H](N[C@H](C)c1ccc[nH]1)c1ccncc1 ZINC000834693735 587764444 /nfs/dbraw/zinc/76/44/44/587764444.db2.gz QKDSGTHDFSINHI-YPMHNXCESA-N 0 3 229.327 3.212 20 0 BGADHN CCC[C@@H](NCc1cccnc1F)C1CCC1 ZINC000834789876 587767041 /nfs/dbraw/zinc/76/70/41/587767041.db2.gz ILNITXKZSOTWKM-CYBMUJFWSA-N 0 3 236.334 3.279 20 0 BGADHN CCC[C@H](NCc1cccnc1F)C1CCC1 ZINC000834789877 587766890 /nfs/dbraw/zinc/76/68/90/587766890.db2.gz ILNITXKZSOTWKM-ZDUSSCGKSA-N 0 3 236.334 3.279 20 0 BGADHN CCC(C)(C)[C@H](C)NCc1cccnc1F ZINC000834790700 587767083 /nfs/dbraw/zinc/76/70/83/587767083.db2.gz UXQVAPQYAVZQDQ-JTQLQIEISA-N 0 3 224.323 3.135 20 0 BGADHN CCC(C)(C)[C@@H](C)NCc1cccnc1F ZINC000834790702 587767243 /nfs/dbraw/zinc/76/72/43/587767243.db2.gz UXQVAPQYAVZQDQ-SNVBAGLBSA-N 0 3 224.323 3.135 20 0 BGADHN CCc1noc(C)c1[C@@H](C)NCCC(C)(F)F ZINC000834817776 587767018 /nfs/dbraw/zinc/76/70/18/587767018.db2.gz ABLVSHMHUJVTOJ-MRVPVSSYSA-N 0 3 246.301 3.241 20 0 BGADHN CCc1noc(C)c1[C@H](C)NCCC(C)(F)F ZINC000834817777 587767044 /nfs/dbraw/zinc/76/70/44/587767044.db2.gz ABLVSHMHUJVTOJ-QMMMGPOBSA-N 0 3 246.301 3.241 20 0 BGADHN CC(C)CC[C@H](N[C@H]1CCn2ccnc21)C1CC1 ZINC000834831044 587768159 /nfs/dbraw/zinc/76/81/59/587768159.db2.gz HTEIBWCJFAPHJM-KBPBESRZSA-N 0 3 247.386 3.132 20 0 BGADHN CC(C)CC[C@@H](N[C@H]1CCn2ccnc21)C1CC1 ZINC000834831047 587768365 /nfs/dbraw/zinc/76/83/65/587768365.db2.gz HTEIBWCJFAPHJM-KGLIPLIRSA-N 0 3 247.386 3.132 20 0 BGADHN CC(C)CC[C@H](N[C@@H]1CCn2ccnc21)C1CC1 ZINC000834831048 587768133 /nfs/dbraw/zinc/76/81/33/587768133.db2.gz HTEIBWCJFAPHJM-UONOGXRCSA-N 0 3 247.386 3.132 20 0 BGADHN CC(C)CC[C@@H](N[C@@H]1CCn2ccnc21)C1CC1 ZINC000834831051 587768112 /nfs/dbraw/zinc/76/81/12/587768112.db2.gz HTEIBWCJFAPHJM-ZIAGYGMSSA-N 0 3 247.386 3.132 20 0 BGADHN CC[C@@H]1CC[C@H](C)C[C@@H]1N[C@H]1CCn2ccnc21 ZINC000834833322 587768182 /nfs/dbraw/zinc/76/81/82/587768182.db2.gz YZUUOSVSJNMUDB-CRWXNKLISA-N 0 3 247.386 3.132 20 0 BGADHN CC[C@@H]1CC[C@H](C)C[C@@H]1N[C@@H]1CCn2ccnc21 ZINC000834833325 587768252 /nfs/dbraw/zinc/76/82/52/587768252.db2.gz YZUUOSVSJNMUDB-DGAVXFQQSA-N 0 3 247.386 3.132 20 0 BGADHN CC[C@@H]1CC[C@H](C)C[C@H]1N[C@@H]1CCn2ccnc21 ZINC000834833328 587768140 /nfs/dbraw/zinc/76/81/40/587768140.db2.gz YZUUOSVSJNMUDB-REWJHTLYSA-N 0 3 247.386 3.132 20 0 BGADHN CC[C@@H]1CC[C@H](C)C[C@H]1N[C@H]1CCn2ccnc21 ZINC000834833331 587768244 /nfs/dbraw/zinc/76/82/44/587768244.db2.gz YZUUOSVSJNMUDB-RFQIPJPRSA-N 0 3 247.386 3.132 20 0 BGADHN CCC[C@H](C)[C@H](CC)N[C@H]1CCn2ccnc21 ZINC000834835749 587768550 /nfs/dbraw/zinc/76/85/50/587768550.db2.gz JGPRTDCZZIOSDZ-AVGNSLFASA-N 0 3 235.375 3.132 20 0 BGADHN CCC[C@H](C)[C@H](CC)N[C@@H]1CCn2ccnc21 ZINC000834835750 587768595 /nfs/dbraw/zinc/76/85/95/587768595.db2.gz JGPRTDCZZIOSDZ-RWMBFGLXSA-N 0 3 235.375 3.132 20 0 BGADHN CCC[C@H](C)[C@@H](CC)N[C@H]1CCn2ccnc21 ZINC000834835751 587768661 /nfs/dbraw/zinc/76/86/61/587768661.db2.gz JGPRTDCZZIOSDZ-XQQFMLRXSA-N 0 3 235.375 3.132 20 0 BGADHN CCC[C@H](C)[C@@H](CC)N[C@@H]1CCn2ccnc21 ZINC000834835752 587768499 /nfs/dbraw/zinc/76/84/99/587768499.db2.gz JGPRTDCZZIOSDZ-YNEHKIRRSA-N 0 3 235.375 3.132 20 0 BGADHN CC[C@@H]1C[C@H](C)CC[C@H]1N[C@@H]1CCn2ccnc21 ZINC000834835757 587768591 /nfs/dbraw/zinc/76/85/91/587768591.db2.gz JIVJHGCDWCSWMC-AAVRWANBSA-N 0 3 247.386 3.132 20 0 BGADHN CC[C@@H]1C[C@H](C)CC[C@@H]1N[C@H]1CCn2ccnc21 ZINC000834835759 587768204 /nfs/dbraw/zinc/76/82/04/587768204.db2.gz JIVJHGCDWCSWMC-MQYQWHSLSA-N 0 3 247.386 3.132 20 0 BGADHN CC[C@@H]1C[C@H](C)CC[C@H]1N[C@H]1CCn2ccnc21 ZINC000834835761 587768097 /nfs/dbraw/zinc/76/80/97/587768097.db2.gz JIVJHGCDWCSWMC-SYQHCUMBSA-N 0 3 247.386 3.132 20 0 BGADHN CC[C@@H]1C[C@H](C)CC[C@@H]1N[C@@H]1CCn2ccnc21 ZINC000834835763 587768173 /nfs/dbraw/zinc/76/81/73/587768173.db2.gz JIVJHGCDWCSWMC-YIYPIFLZSA-N 0 3 247.386 3.132 20 0 BGADHN Cc1cc(F)ccc1[C@@H](C)NCC1=CCOCC1 ZINC000834859612 587768686 /nfs/dbraw/zinc/76/86/86/587768686.db2.gz FYIOFIGBBGAUAU-GFCCVEGCSA-N 0 3 249.329 3.131 20 0 BGADHN Cc1cc(F)ccc1[C@H](C)NCC1=CCOCC1 ZINC000834859613 587768914 /nfs/dbraw/zinc/76/89/14/587768914.db2.gz FYIOFIGBBGAUAU-LBPRGKRZSA-N 0 3 249.329 3.131 20 0 BGADHN CCC1(N[C@H](C)c2ccnc(Cl)c2)CC1 ZINC000834874940 587769154 /nfs/dbraw/zinc/76/91/54/587769154.db2.gz JCHXBJJIDNZNSF-SECBINFHSA-N 0 3 224.735 3.328 20 0 BGADHN CCC1(N[C@@H](C)c2ccnc(Cl)c2)CC1 ZINC000834874946 587768923 /nfs/dbraw/zinc/76/89/23/587768923.db2.gz JCHXBJJIDNZNSF-VIFPVBQESA-N 0 3 224.735 3.328 20 0 BGADHN CC/C=C\CN[C@H]1CCc2nc(Cl)ccc21 ZINC000834877649 587768929 /nfs/dbraw/zinc/76/89/29/587768929.db2.gz LMCJCVFQABJHOQ-BYCRGOAPSA-N 0 3 236.746 3.278 20 0 BGADHN CC/C=C\CN[C@@H]1CCc2nc(Cl)ccc21 ZINC000834877650 587769082 /nfs/dbraw/zinc/76/90/82/587769082.db2.gz LMCJCVFQABJHOQ-DLRQAJBASA-N 0 3 236.746 3.278 20 0 BGADHN CC/C=C/CN[C@@H]1CCc2nc(Cl)ccc21 ZINC000834877652 587769054 /nfs/dbraw/zinc/76/90/54/587769054.db2.gz LMCJCVFQABJHOQ-PGLGOXFNSA-N 0 3 236.746 3.278 20 0 BGADHN CC/C=C/CN[C@H]1CCc2nc(Cl)ccc21 ZINC000834877654 587769007 /nfs/dbraw/zinc/76/90/07/587769007.db2.gz LMCJCVFQABJHOQ-UFFNRZRYSA-N 0 3 236.746 3.278 20 0 BGADHN CC/C=C\CN[C@@H](C)c1ccnc(Cl)c1 ZINC000834880479 587769450 /nfs/dbraw/zinc/76/94/50/587769450.db2.gz FRPCIZQASDBNLG-LWTINBJPSA-N 0 3 224.735 3.352 20 0 BGADHN CC/C=C/CN[C@H](C)c1ccnc(Cl)c1 ZINC000834880480 587769432 /nfs/dbraw/zinc/76/94/32/587769432.db2.gz FRPCIZQASDBNLG-ORAHPGNNSA-N 0 3 224.735 3.352 20 0 BGADHN CC/C=C\CN[C@H](C)c1ccnc(Cl)c1 ZINC000834880481 587768532 /nfs/dbraw/zinc/76/85/32/587768532.db2.gz FRPCIZQASDBNLG-UMCURTJPSA-N 0 3 224.735 3.352 20 0 BGADHN CC/C=C/CN[C@@H](C)c1ccnc(Cl)c1 ZINC000834880482 587768512 /nfs/dbraw/zinc/76/85/12/587768512.db2.gz FRPCIZQASDBNLG-YEZKRMTDSA-N 0 3 224.735 3.352 20 0 BGADHN CC[C@@H]1C[C@H]1CN[C@@H](C)c1cccnc1Cl ZINC000834882508 587769364 /nfs/dbraw/zinc/76/93/64/587769364.db2.gz BJYQHQRPZBDOHR-AXFHLTTASA-N 0 3 238.762 3.432 20 0 BGADHN CC[C@@H]1C[C@H]1CN[C@H](C)c1cccnc1Cl ZINC000834882513 587769285 /nfs/dbraw/zinc/76/92/85/587769285.db2.gz BJYQHQRPZBDOHR-MXWKQRLJSA-N 0 3 238.762 3.432 20 0 BGADHN CCc1noc(C)c1[C@@H](C)NC[C@@H]1C[C@H]1CC ZINC000834883617 587769293 /nfs/dbraw/zinc/76/92/93/587769293.db2.gz NJXXDHIPWQNWRD-JLLWLGSASA-N 0 3 236.359 3.242 20 0 BGADHN CCc1noc(C)c1[C@H](C)NC[C@@H]1C[C@H]1CC ZINC000834883619 584915371 /nfs/dbraw/zinc/91/53/71/584915371.db2.gz NJXXDHIPWQNWRD-WCQGTBRESA-N 0 3 236.359 3.242 20 0 BGADHN CCc1nc(CN[C@H](C2CC2)C2CCCC2)co1 ZINC000834897870 587769537 /nfs/dbraw/zinc/76/95/37/587769537.db2.gz ITYCWKBQYGWGEF-HNNXBMFYSA-N 0 3 248.370 3.295 20 0 BGADHN CCc1nc(CN[C@@H](C2CC2)C2CCCC2)co1 ZINC000834897872 587769669 /nfs/dbraw/zinc/76/96/69/587769669.db2.gz ITYCWKBQYGWGEF-OAHLLOKOSA-N 0 3 248.370 3.295 20 0 BGADHN CCc1nc(CN[C@@H](C)C(C)(C)CC)co1 ZINC000834898576 587769684 /nfs/dbraw/zinc/76/96/84/587769684.db2.gz MDHCVKZWHPPISW-JTQLQIEISA-N 0 3 224.348 3.151 20 0 BGADHN CCc1nc(CN[C@H](C)C(C)(C)CC)co1 ZINC000834898577 587769767 /nfs/dbraw/zinc/76/97/67/587769767.db2.gz MDHCVKZWHPPISW-SNVBAGLBSA-N 0 3 224.348 3.151 20 0 BGADHN CCC[C@@H](NCc1coc(CC)n1)C1CCC1 ZINC000834898965 587769489 /nfs/dbraw/zinc/76/94/89/587769489.db2.gz NJOTVPRFAQBJSL-CYBMUJFWSA-N 0 3 236.359 3.295 20 0 BGADHN CCC[C@H](NCc1coc(CC)n1)C1CCC1 ZINC000834898967 587769620 /nfs/dbraw/zinc/76/96/20/587769620.db2.gz NJOTVPRFAQBJSL-ZDUSSCGKSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1nc(CNC2[C@H](C)CCC[C@H]2C)co1 ZINC000834900884 587770106 /nfs/dbraw/zinc/77/01/06/587770106.db2.gz WYDXDSFPRQMMGE-GHMZBOCLSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1nc(CNC2[C@@H](C)CCC[C@@H]2C)co1 ZINC000834900886 587770139 /nfs/dbraw/zinc/77/01/39/587770139.db2.gz WYDXDSFPRQMMGE-QWRGUYRKSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1nc(CN[C@H]2[C@H](C)CCC[C@@H]2C)co1 ZINC000834900887 587769960 /nfs/dbraw/zinc/76/99/60/587769960.db2.gz WYDXDSFPRQMMGE-YABSGUDNSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1nc(CNC(C2CCC2)C2CCC2)co1 ZINC000834901017 587769893 /nfs/dbraw/zinc/76/98/93/587769893.db2.gz YQFMMVJIIRGENR-UHFFFAOYSA-N 0 3 248.370 3.295 20 0 BGADHN CCc1nc(CN[C@H]2CCCC[C@@H]2CC)co1 ZINC000834901072 587770033 /nfs/dbraw/zinc/77/00/33/587770033.db2.gz YYWGCIKGXDUUPT-AAEUAGOBSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1nc(CN[C@@H]2CCCC[C@H]2CC)co1 ZINC000834901074 587770031 /nfs/dbraw/zinc/77/00/31/587770031.db2.gz YYWGCIKGXDUUPT-DGCLKSJQSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1nc(CN[C@@H]2CCCC[C@@H]2CC)co1 ZINC000834901075 587769817 /nfs/dbraw/zinc/76/98/17/587769817.db2.gz YYWGCIKGXDUUPT-WCQYABFASA-N 0 3 236.359 3.295 20 0 BGADHN CCc1nc(CN[C@H]2CCCC[C@H]2CC)co1 ZINC000834901077 587769885 /nfs/dbraw/zinc/76/98/85/587769885.db2.gz YYWGCIKGXDUUPT-YPMHNXCESA-N 0 3 236.359 3.295 20 0 BGADHN CCc1noc(C)c1[C@@H](C)NC[C@@H]1C[C@H]1C1CC1 ZINC000834904962 587770151 /nfs/dbraw/zinc/77/01/51/587770151.db2.gz CYDKQVQLWUHWLL-ICCXJUOJSA-N 0 3 248.370 3.242 20 0 BGADHN CCc1noc(C)c1[C@H](C)NC[C@@H]1C[C@H]1C1CC1 ZINC000834904963 587770377 /nfs/dbraw/zinc/77/03/77/587770377.db2.gz CYDKQVQLWUHWLL-XDTLVQLUSA-N 0 3 248.370 3.242 20 0 BGADHN CC[C@@H](C)NCc1c(Cl)n(C)nc1C(C)C ZINC000835034400 587779146 /nfs/dbraw/zinc/77/91/46/587779146.db2.gz VUWDJAMNQQFKRP-SECBINFHSA-N 0 3 243.782 3.085 20 0 BGADHN CC[C@H](C)NCc1c(Cl)n(C)nc1C(C)C ZINC000835034406 587779043 /nfs/dbraw/zinc/77/90/43/587779043.db2.gz VUWDJAMNQQFKRP-VIFPVBQESA-N 0 3 243.782 3.085 20 0 BGADHN C[C@H](CC(C)(C)C)NCc1cc(F)ncc1F ZINC000835065888 587779800 /nfs/dbraw/zinc/77/98/00/587779800.db2.gz RJNDYJTXUHFWDY-SECBINFHSA-N 0 3 242.313 3.274 20 0 BGADHN C[C@@H](CC(C)(C)C)NCc1cc(F)ncc1F ZINC000835065896 587779983 /nfs/dbraw/zinc/77/99/83/587779983.db2.gz RJNDYJTXUHFWDY-VIFPVBQESA-N 0 3 242.313 3.274 20 0 BGADHN CCC1CN(Cc2cc3cccc(OC)c3o2)C1 ZINC000835073636 587780178 /nfs/dbraw/zinc/78/01/78/587780178.db2.gz DMOYRBBQOOCTTO-UHFFFAOYSA-N 0 3 245.322 3.283 20 0 BGADHN CCC1CN(Cc2cnc3ccccc3c2)C1 ZINC000835074719 587780299 /nfs/dbraw/zinc/78/02/99/587780299.db2.gz LWFVYVJMFOUUPM-UHFFFAOYSA-N 0 3 226.323 3.077 20 0 BGADHN CCC1CN(Cc2cncc3ccccc32)C1 ZINC000835074767 587780290 /nfs/dbraw/zinc/78/02/90/587780290.db2.gz MSKRYNXQDBCSKY-UHFFFAOYSA-N 0 3 226.323 3.077 20 0 BGADHN CCC(C)(C)OCCNCc1cc(C)oc1C ZINC000835085142 587781688 /nfs/dbraw/zinc/78/16/88/587781688.db2.gz LXEZMNSCAAUMNY-UHFFFAOYSA-N 0 3 239.359 3.191 20 0 BGADHN CCC(CC)OC(=O)c1cccc(CN(C)C)c1 ZINC000835222676 587790051 /nfs/dbraw/zinc/79/00/51/587790051.db2.gz GCSBJAOKAFDVCZ-UHFFFAOYSA-N 0 3 249.354 3.094 20 0 BGADHN CCC[C@@H](C)OC(=O)c1cccc(CN(C)C)c1 ZINC000835341698 587797595 /nfs/dbraw/zinc/79/75/95/587797595.db2.gz WENGQXACUTVNHA-GFCCVEGCSA-N 0 3 249.354 3.094 20 0 BGADHN CCC[C@H](C)OC(=O)c1cccc(CN(C)C)c1 ZINC000835341700 587797600 /nfs/dbraw/zinc/79/76/00/587797600.db2.gz WENGQXACUTVNHA-LBPRGKRZSA-N 0 3 249.354 3.094 20 0 BGADHN c1cc(CN2CCCCCCC2)nc2c1CCC2 ZINC000838782759 585069532 /nfs/dbraw/zinc/06/95/32/585069532.db2.gz MZAGZQPZGXHIAP-UHFFFAOYSA-N 0 3 244.382 3.336 20 0 BGADHN c1nc(C2CC2)ncc1CN1CCCCCCC1 ZINC000838783795 585070066 /nfs/dbraw/zinc/07/00/66/585070066.db2.gz VJXCNXXLTPQZIX-UHFFFAOYSA-N 0 3 245.370 3.120 20 0 BGADHN c1cnc(CN2CCC3(CCCCC3)CC2)cn1 ZINC000838817066 585071769 /nfs/dbraw/zinc/07/17/69/585071769.db2.gz MKWKDYWTSGALDM-UHFFFAOYSA-N 0 3 245.370 3.023 20 0 BGADHN CC1(C)CCN1CCc1cccc(Cl)c1 ZINC000838842871 585074139 /nfs/dbraw/zinc/07/41/39/585074139.db2.gz MVZPVYYESAHBGT-UHFFFAOYSA-N 0 3 223.747 3.367 20 0 BGADHN CCCCCCNCc1ccc2c(n1)CCC2 ZINC000838889560 585078494 /nfs/dbraw/zinc/07/84/94/585078494.db2.gz CNRXZILATQCCTN-UHFFFAOYSA-N 0 3 232.371 3.240 20 0 BGADHN CCCCCCNCc1cnc(C2CC2)nc1 ZINC000838893212 585079017 /nfs/dbraw/zinc/07/90/17/585079017.db2.gz VPZBLNVJJHQYEI-UHFFFAOYSA-N 0 3 233.359 3.024 20 0 BGADHN CCCCC[C@@H](C)NCc1cnc(C2CC2)nc1 ZINC000838895105 585078733 /nfs/dbraw/zinc/07/87/33/585078733.db2.gz NRVKBRWSRBLONH-GFCCVEGCSA-N 0 3 247.386 3.412 20 0 BGADHN CCCCC[C@H](C)NCc1cnc(C2CC2)nc1 ZINC000838895120 585078971 /nfs/dbraw/zinc/07/89/71/585078971.db2.gz NRVKBRWSRBLONH-LBPRGKRZSA-N 0 3 247.386 3.412 20 0 BGADHN Cc1ccc(CNC2(C3CC3)CC2)c(Cl)n1 ZINC000838929579 585081396 /nfs/dbraw/zinc/08/13/96/585081396.db2.gz JTBLWJXEIAPZML-UHFFFAOYSA-N 0 3 236.746 3.076 20 0 BGADHN Cc1cc(CNC2CC3(CCC3)C2)c(C)o1 ZINC000838948471 585080556 /nfs/dbraw/zinc/08/05/56/585080556.db2.gz QVBHFSRLVJPUIZ-UHFFFAOYSA-N 0 3 219.328 3.319 20 0 BGADHN Cc1ccc(CN[C@@H]2CCC[C@H]2C)c(Cl)n1 ZINC000838966434 585082496 /nfs/dbraw/zinc/08/24/96/585082496.db2.gz HVLGFIRNOUDXSZ-BXKDBHETSA-N 0 3 238.762 3.322 20 0 BGADHN Cc1ccc(CN[C@H]2CCC[C@@H]2C)c(Cl)n1 ZINC000838966435 585082598 /nfs/dbraw/zinc/08/25/98/585082598.db2.gz HVLGFIRNOUDXSZ-CABZTGNLSA-N 0 3 238.762 3.322 20 0 BGADHN Cc1ccc(CN[C@@H]2CCC[C@@H]2C)c(Cl)n1 ZINC000838966437 585082629 /nfs/dbraw/zinc/08/26/29/585082629.db2.gz HVLGFIRNOUDXSZ-JOYOIKCWSA-N 0 3 238.762 3.322 20 0 BGADHN Cc1ccc(CN[C@H]2CCC[C@H]2C)c(Cl)n1 ZINC000838966438 585082639 /nfs/dbraw/zinc/08/26/39/585082639.db2.gz HVLGFIRNOUDXSZ-SKDRFNHKSA-N 0 3 238.762 3.322 20 0 BGADHN Cc1cc(CNC2(C)CCC(F)(F)CC2)no1 ZINC000839008015 585086691 /nfs/dbraw/zinc/08/66/91/585086691.db2.gz JCSVAAYKJYTXBB-UHFFFAOYSA-N 0 3 244.285 3.041 20 0 BGADHN Cc1ccc(CNC2(C(C)C)CC2)c(Cl)n1 ZINC000839025046 585087988 /nfs/dbraw/zinc/08/79/88/585087988.db2.gz PEQMILSWYVONNR-UHFFFAOYSA-N 0 3 238.762 3.322 20 0 BGADHN c1cc(CN2CC(C3CCCCC3)C2)co1 ZINC000839135834 585094155 /nfs/dbraw/zinc/09/41/55/585094155.db2.gz ISFWRIYNPRDSHL-UHFFFAOYSA-N 0 3 219.328 3.292 20 0 BGADHN CCC1(C)CN(Cc2cncc3ccccc32)C1 ZINC000839142953 585094922 /nfs/dbraw/zinc/09/49/22/585094922.db2.gz LNWGOUZNPBDEGS-UHFFFAOYSA-N 0 3 240.350 3.467 20 0 BGADHN CC(C)C[C@@H]1C[C@H]1NCc1cccnc1Cl ZINC000839162559 585098155 /nfs/dbraw/zinc/09/81/55/585098155.db2.gz DGUDOMMSVQOGKS-VXGBXAGGSA-N 0 3 238.762 3.259 20 0 BGADHN Cc1nc(F)ccc1CN[C@@H]1C[C@H]1CC(C)C ZINC000839162993 585098009 /nfs/dbraw/zinc/09/80/09/585098009.db2.gz LISFELYFRXXRCT-CHWSQXEVSA-N 0 3 236.334 3.053 20 0 BGADHN CC(C)C[C@@H]1C[C@H]1NCc1ccc(Cl)nc1 ZINC000839162999 585098261 /nfs/dbraw/zinc/09/82/61/585098261.db2.gz LYABNSJZSSOYJB-VXGBXAGGSA-N 0 3 238.762 3.259 20 0 BGADHN CN(CCF)[C@H]1CCC[C@H]1c1ccccc1 ZINC000839176870 585096549 /nfs/dbraw/zinc/09/65/49/585096549.db2.gz YVLVEGBBRKPJAF-KBPBESRZSA-N 0 3 221.319 3.224 20 0 BGADHN CN(CCF)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000839176871 585096333 /nfs/dbraw/zinc/09/63/33/585096333.db2.gz YVLVEGBBRKPJAF-KGLIPLIRSA-N 0 3 221.319 3.224 20 0 BGADHN CN(CCF)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000839176872 585096535 /nfs/dbraw/zinc/09/65/35/585096535.db2.gz YVLVEGBBRKPJAF-UONOGXRCSA-N 0 3 221.319 3.224 20 0 BGADHN CN(CCF)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000839176873 585096465 /nfs/dbraw/zinc/09/64/65/585096465.db2.gz YVLVEGBBRKPJAF-ZIAGYGMSSA-N 0 3 221.319 3.224 20 0 BGADHN Cc1nc(F)ccc1CN(C)C1CC(C)(C)C1 ZINC000839185299 585096746 /nfs/dbraw/zinc/09/67/46/585096746.db2.gz SFLZLNGXTRSXRD-UHFFFAOYSA-N 0 3 236.334 3.150 20 0 BGADHN CN(C[C@H]1CC1(Cl)Cl)C1CC(C)(C)C1 ZINC000839189355 585097054 /nfs/dbraw/zinc/09/70/54/585097054.db2.gz RNBQDJDFFCOKEL-MRVPVSSYSA-N 0 3 236.186 3.301 20 0 BGADHN CN(C[C@@H]1CC1(Cl)Cl)C1CC(C)(C)C1 ZINC000839189356 585096980 /nfs/dbraw/zinc/09/69/80/585096980.db2.gz RNBQDJDFFCOKEL-QMMMGPOBSA-N 0 3 236.186 3.301 20 0 BGADHN C[C@@H](NC1CCCCCCC1)c1ccn(C)n1 ZINC000839190599 585097507 /nfs/dbraw/zinc/09/75/07/585097507.db2.gz IMFABTBRFAGYAN-GFCCVEGCSA-N 0 3 235.375 3.184 20 0 BGADHN C[C@H](NC1CCCCCCC1)c1ccn(C)n1 ZINC000839190600 585097350 /nfs/dbraw/zinc/09/73/50/585097350.db2.gz IMFABTBRFAGYAN-LBPRGKRZSA-N 0 3 235.375 3.184 20 0 BGADHN CCCCC[C@@H](C)N[C@@H](C)c1ccn(C)n1 ZINC000839191377 585097417 /nfs/dbraw/zinc/09/74/17/585097417.db2.gz OTSALLRGMDEFPB-NEPJUHHUSA-N 0 3 223.364 3.040 20 0 BGADHN CCCCC[C@H](C)N[C@H](C)c1ccn(C)n1 ZINC000839191381 585097375 /nfs/dbraw/zinc/09/73/75/585097375.db2.gz OTSALLRGMDEFPB-NWDGAFQWSA-N 0 3 223.364 3.040 20 0 BGADHN CCCCC[C@H](C)N[C@@H](C)c1ccn(C)n1 ZINC000839191382 585097283 /nfs/dbraw/zinc/09/72/83/585097283.db2.gz OTSALLRGMDEFPB-RYUDHWBXSA-N 0 3 223.364 3.040 20 0 BGADHN CCCCC[C@@H](C)N[C@H](C)c1ccn(C)n1 ZINC000839191383 585097542 /nfs/dbraw/zinc/09/75/42/585097542.db2.gz OTSALLRGMDEFPB-VXGBXAGGSA-N 0 3 223.364 3.040 20 0 BGADHN Clc1ncccc1CN[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000839191991 585097343 /nfs/dbraw/zinc/09/73/43/585097343.db2.gz RODPDHCPNYPHSK-USWWRNFRSA-N 0 3 236.746 3.013 20 0 BGADHN CCCCCC[C@@H](C)N[C@H](C)c1ccn(C)n1 ZINC000839193090 585097982 /nfs/dbraw/zinc/09/79/82/585097982.db2.gz YMGXJHZDLNKTFH-CHWSQXEVSA-N 0 3 237.391 3.430 20 0 BGADHN CCCCCC[C@@H](C)N[C@@H](C)c1ccn(C)n1 ZINC000839193092 585097952 /nfs/dbraw/zinc/09/79/52/585097952.db2.gz YMGXJHZDLNKTFH-OLZOCXBDSA-N 0 3 237.391 3.430 20 0 BGADHN CCCCCC[C@H](C)N[C@H](C)c1ccn(C)n1 ZINC000839193093 585097970 /nfs/dbraw/zinc/09/79/70/585097970.db2.gz YMGXJHZDLNKTFH-QWHCGFSZSA-N 0 3 237.391 3.430 20 0 BGADHN CCCCCC[C@H](C)N[C@@H](C)c1ccn(C)n1 ZINC000839193095 585097737 /nfs/dbraw/zinc/09/77/37/585097737.db2.gz YMGXJHZDLNKTFH-STQMWFEESA-N 0 3 237.391 3.430 20 0 BGADHN C[C@@]1(NCc2cccnc2Cl)CC=CCC1 ZINC000839193781 585097653 /nfs/dbraw/zinc/09/76/53/585097653.db2.gz YAYRVNXPRVBDLX-CYBMUJFWSA-N 0 3 236.746 3.323 20 0 BGADHN C[C@]1(NCc2cccnc2Cl)CC=CCC1 ZINC000839193782 585097876 /nfs/dbraw/zinc/09/78/76/585097876.db2.gz YAYRVNXPRVBDLX-ZDUSSCGKSA-N 0 3 236.746 3.323 20 0 BGADHN Clc1cccc(CN[C@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC000839196062 585098751 /nfs/dbraw/zinc/09/87/51/585098751.db2.gz MDYUFXULGYNKMC-USWWRNFRSA-N 0 3 236.746 3.013 20 0 BGADHN Cl/C=C(\Cl)CN[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000839197064 585098941 /nfs/dbraw/zinc/09/89/41/585098941.db2.gz TWHSLBPMSMPQBI-LAJJPJSBSA-N 0 3 220.143 3.084 20 0 BGADHN Cl/C=C(/Cl)CN[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000839197070 585098791 /nfs/dbraw/zinc/09/87/91/585098791.db2.gz TWHSLBPMSMPQBI-WXLCYMJHSA-N 0 3 220.143 3.084 20 0 BGADHN Clc1nc(CN[C@H]2CCC[C@@H]3C[C@@H]32)cs1 ZINC000839197410 585099035 /nfs/dbraw/zinc/09/90/35/585099035.db2.gz ZMYNCVUNMYXVIX-JEZHCXPESA-N 0 3 242.775 3.075 20 0 BGADHN CC(C)(C)O[C@@H]1C[C@@H](NC/C=C/Cl)C1(C)C ZINC000839199405 585099053 /nfs/dbraw/zinc/09/90/53/585099053.db2.gz LATMZBGKUOPXCY-AFPRHGJPSA-N 0 3 245.794 3.311 20 0 BGADHN CC(C)(C)O[C@@H]1C[C@H](NC/C=C/Cl)C1(C)C ZINC000839199406 585099310 /nfs/dbraw/zinc/09/93/10/585099310.db2.gz LATMZBGKUOPXCY-FQLSZKSXSA-N 0 3 245.794 3.311 20 0 BGADHN CC(C)(C)O[C@@H]1C[C@@H](NC/C=C\Cl)C1(C)C ZINC000839199407 585099350 /nfs/dbraw/zinc/09/93/50/585099350.db2.gz LATMZBGKUOPXCY-GYHQZXBOSA-N 0 3 245.794 3.311 20 0 BGADHN CC(C)(C)O[C@@H]1C[C@H](NC/C=C\Cl)C1(C)C ZINC000839199408 585099147 /nfs/dbraw/zinc/09/91/47/585099147.db2.gz LATMZBGKUOPXCY-QIAMSNJGSA-N 0 3 245.794 3.311 20 0 BGADHN c1ccc(N2CCCCC2)c(CN2CCCC2)c1 ZINC000839451551 585104688 /nfs/dbraw/zinc/10/46/88/585104688.db2.gz DIQKGSGRTJEZPM-UHFFFAOYSA-N 0 3 244.382 3.273 20 0 BGADHN COc1cccc2cc(CN3CCCC3)oc21 ZINC000839453900 585104563 /nfs/dbraw/zinc/10/45/63/585104563.db2.gz WMELTJKEAZRWRU-UHFFFAOYSA-N 0 3 231.295 3.037 20 0 BGADHN Cc1ccc2ncc(CN3CC[C@@H]4C[C@@H]43)cc2c1 ZINC000839532584 585325749 /nfs/dbraw/zinc/32/57/49/585325749.db2.gz MBXBFCGWZVOUJG-CJNGLKHVSA-N 0 3 238.334 3.137 20 0 BGADHN Cc1ccc2ncc(CN3CC[C@H]4C[C@H]43)cc2c1 ZINC000839532588 585325691 /nfs/dbraw/zinc/32/56/91/585325691.db2.gz MBXBFCGWZVOUJG-XJKSGUPXSA-N 0 3 238.334 3.137 20 0 BGADHN Cc1ccc(CN2CC[C@@H](C(F)(F)F)C2)cc1 ZINC000839532841 585328907 /nfs/dbraw/zinc/32/89/07/585328907.db2.gz DEOKAGTVAVHPDM-GFCCVEGCSA-N 0 3 243.272 3.379 20 0 BGADHN Cc1ccc(CN2CC[C@H](C(F)(F)F)C2)cc1 ZINC000839532859 585328895 /nfs/dbraw/zinc/32/88/95/585328895.db2.gz DEOKAGTVAVHPDM-LBPRGKRZSA-N 0 3 243.272 3.379 20 0 BGADHN C[C@@H]1CCC(C)(C)N1Cc1nc2ccccc2[nH]1 ZINC000839615767 585332250 /nfs/dbraw/zinc/33/22/50/585332250.db2.gz PLFURVKVGIDKAG-LLVKDONJSA-N 0 3 243.354 3.326 20 0 BGADHN C[C@H]1CCC(C)(C)N1Cc1nc2ccccc2[nH]1 ZINC000839615769 585332233 /nfs/dbraw/zinc/33/22/33/585332233.db2.gz PLFURVKVGIDKAG-NSHDSACASA-N 0 3 243.354 3.326 20 0 BGADHN Cl/C=C\CN1CCSC2(CCC2)CC1 ZINC000839625980 585332518 /nfs/dbraw/zinc/33/25/18/585332518.db2.gz ZEQUNHFFKQHSGL-KXFIGUGUSA-N 0 3 231.792 3.101 20 0 BGADHN Cl/C=C/CN1CCSC2(CCC2)CC1 ZINC000839625982 585332779 /nfs/dbraw/zinc/33/27/79/585332779.db2.gz ZEQUNHFFKQHSGL-QHHAFSJGSA-N 0 3 231.792 3.101 20 0 BGADHN FCCN1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000839645503 585334990 /nfs/dbraw/zinc/33/49/90/585334990.db2.gz FEWSKOMHRHLMLZ-AWEZNQCLSA-N 0 3 233.330 3.226 20 0 BGADHN FCCN1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000839645504 585334888 /nfs/dbraw/zinc/33/48/88/585334888.db2.gz FEWSKOMHRHLMLZ-CQSZACIVSA-N 0 3 233.330 3.226 20 0 BGADHN CC(C)(C)C[C@H]1CCN(Cc2c[nH]cn2)C1(C)C ZINC000839662118 585334110 /nfs/dbraw/zinc/33/41/10/585334110.db2.gz AECRTHXGDBZYRN-GFCCVEGCSA-N 0 3 249.402 3.446 20 0 BGADHN CC(C)(C)C[C@@H]1CCN(Cc2c[nH]cn2)C1(C)C ZINC000839662120 585334219 /nfs/dbraw/zinc/33/42/19/585334219.db2.gz AECRTHXGDBZYRN-LBPRGKRZSA-N 0 3 249.402 3.446 20 0 BGADHN CCN(C/C=C/Cl)C1CC(C)(C)C1 ZINC000839662600 585334017 /nfs/dbraw/zinc/33/40/17/585334017.db2.gz DQSCUANHGAEVNP-AATRIKPKSA-N 0 3 201.741 3.249 20 0 BGADHN CCN(C/C=C\Cl)C1CC(C)(C)C1 ZINC000839662601 585334310 /nfs/dbraw/zinc/33/43/10/585334310.db2.gz DQSCUANHGAEVNP-WAYWQWQTSA-N 0 3 201.741 3.249 20 0 BGADHN CCCCCCN[C@H](C)c1cc2n(n1)CCC2 ZINC000840705406 587916953 /nfs/dbraw/zinc/91/69/53/587916953.db2.gz FZVHIHMGZHRPIR-GFCCVEGCSA-N 0 3 235.375 3.060 20 0 BGADHN CCCCCCN[C@@H](C)c1cc2n(n1)CCC2 ZINC000840705412 587917113 /nfs/dbraw/zinc/91/71/13/587917113.db2.gz FZVHIHMGZHRPIR-LBPRGKRZSA-N 0 3 235.375 3.060 20 0 BGADHN CCCCC[C@@H](C)N[C@H](C)c1cc2n(n1)CCC2 ZINC000840706907 587917132 /nfs/dbraw/zinc/91/71/32/587917132.db2.gz PZMATWOAFYLJKK-CHWSQXEVSA-N 0 3 249.402 3.449 20 0 BGADHN CCCCC[C@@H](C)N[C@@H](C)c1cc2n(n1)CCC2 ZINC000840706908 587916883 /nfs/dbraw/zinc/91/68/83/587916883.db2.gz PZMATWOAFYLJKK-OLZOCXBDSA-N 0 3 249.402 3.449 20 0 BGADHN CCCCC[C@H](C)N[C@H](C)c1cc2n(n1)CCC2 ZINC000840706909 587916932 /nfs/dbraw/zinc/91/69/32/587916932.db2.gz PZMATWOAFYLJKK-QWHCGFSZSA-N 0 3 249.402 3.449 20 0 BGADHN CCCCC[C@H](C)N[C@@H](C)c1cc2n(n1)CCC2 ZINC000840706910 587916898 /nfs/dbraw/zinc/91/68/98/587916898.db2.gz PZMATWOAFYLJKK-STQMWFEESA-N 0 3 249.402 3.449 20 0 BGADHN C[C@@H](NCC1CCCCCCC1)c1ccn(C)n1 ZINC000840714453 587917536 /nfs/dbraw/zinc/91/75/36/587917536.db2.gz IZHFLENCBNLATP-CYBMUJFWSA-N 0 3 249.402 3.431 20 0 BGADHN C[C@H](NCC1CCCCCCC1)c1ccn(C)n1 ZINC000840714454 587917592 /nfs/dbraw/zinc/91/75/92/587917592.db2.gz IZHFLENCBNLATP-ZDUSSCGKSA-N 0 3 249.402 3.431 20 0 BGADHN C[C@H](CN[C@@H](C)c1cc2n(n1)CCC2)C(C)(C)C ZINC000840722961 587918199 /nfs/dbraw/zinc/91/81/99/587918199.db2.gz MEMICUDSUWTEGL-NEPJUHHUSA-N 0 3 249.402 3.162 20 0 BGADHN C[C@@H](CN[C@H](C)c1cc2n(n1)CCC2)C(C)(C)C ZINC000840722962 587918309 /nfs/dbraw/zinc/91/83/09/587918309.db2.gz MEMICUDSUWTEGL-NWDGAFQWSA-N 0 3 249.402 3.162 20 0 BGADHN C[C@@H](CN[C@@H](C)c1cc2n(n1)CCC2)C(C)(C)C ZINC000840722963 587918044 /nfs/dbraw/zinc/91/80/44/587918044.db2.gz MEMICUDSUWTEGL-RYUDHWBXSA-N 0 3 249.402 3.162 20 0 BGADHN C[C@@H](NC[C@@H](C)C(C)(C)C)c1cc2n(n1)CCC2 ZINC000840722964 587918030 /nfs/dbraw/zinc/91/80/30/587918030.db2.gz MEMICUDSUWTEGL-VXGBXAGGSA-N 0 3 249.402 3.162 20 0 BGADHN Cc1cc(Cl)nc(CN[C@H](C)[C@@H]2C[C@H]2C)c1 ZINC000840747902 584910285 /nfs/dbraw/zinc/91/02/85/584910285.db2.gz BCESNKKBGIHZPY-CKYFFXLPSA-N 0 3 238.762 3.178 20 0 BGADHN Cc1cc(Cl)nc(CN[C@H](C)[C@H]2C[C@H]2C)c1 ZINC000840747903 584910329 /nfs/dbraw/zinc/91/03/29/584910329.db2.gz BCESNKKBGIHZPY-FOGDFJRCSA-N 0 3 238.762 3.178 20 0 BGADHN Cc1cc(Cl)nc(CN[C@H](C)[C@@H]2C[C@@H]2C)c1 ZINC000840747904 584910311 /nfs/dbraw/zinc/91/03/11/584910311.db2.gz BCESNKKBGIHZPY-HOSYDEDBSA-N 0 3 238.762 3.178 20 0 BGADHN Cc1cc(Cl)nc(CN[C@H](C)[C@H]2C[C@@H]2C)c1 ZINC000840747905 584910226 /nfs/dbraw/zinc/91/02/26/584910226.db2.gz BCESNKKBGIHZPY-UMNHJUIQSA-N 0 3 238.762 3.178 20 0 BGADHN C[C@H](NCc1cc(F)cnc1Cl)[C@H]1C[C@H]1C ZINC000840755785 584942376 /nfs/dbraw/zinc/94/23/76/584942376.db2.gz DKXQLPCRBIWUQH-FYBVGQRMSA-N 0 3 242.725 3.008 20 0 BGADHN C[C@@H](NCc1cc(F)cnc1Cl)[C@@H]1C[C@H]1C ZINC000840755788 584942424 /nfs/dbraw/zinc/94/24/24/584942424.db2.gz DKXQLPCRBIWUQH-SOCHQFKDSA-N 0 3 242.725 3.008 20 0 BGADHN C[C@H](NCc1cc(F)cnc1Cl)[C@@H]1C[C@H]1C ZINC000840755789 584942428 /nfs/dbraw/zinc/94/24/28/584942428.db2.gz DKXQLPCRBIWUQH-VHSKPIJISA-N 0 3 242.725 3.008 20 0 BGADHN C[C@@H](NCc1cc(F)cnc1Cl)[C@H]1C[C@H]1C ZINC000840755790 584942529 /nfs/dbraw/zinc/94/25/29/584942529.db2.gz DKXQLPCRBIWUQH-XLDPMVHQSA-N 0 3 242.725 3.008 20 0 BGADHN CCc1nc(CN[C@@H](CC)[C@H]2CC2(C)C)co1 ZINC000840757957 584944674 /nfs/dbraw/zinc/94/46/74/584944674.db2.gz BFVGWBIMDAFQAJ-NEPJUHHUSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1nc(CN[C@H](CC)[C@@H]2CC2(C)C)co1 ZINC000840757958 584944663 /nfs/dbraw/zinc/94/46/63/584944663.db2.gz BFVGWBIMDAFQAJ-NWDGAFQWSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1nc(CN[C@@H](CC)[C@@H]2CC2(C)C)co1 ZINC000840757959 584944634 /nfs/dbraw/zinc/94/46/34/584944634.db2.gz BFVGWBIMDAFQAJ-RYUDHWBXSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1nc(CN[C@H](CC)[C@H]2CC2(C)C)co1 ZINC000840757962 584944651 /nfs/dbraw/zinc/94/46/51/584944651.db2.gz BFVGWBIMDAFQAJ-VXGBXAGGSA-N 0 3 236.359 3.151 20 0 BGADHN CCCCCC[C@@H](C)NCc1ccn(CC)n1 ZINC000840836319 587924547 /nfs/dbraw/zinc/92/45/47/587924547.db2.gz AGNCXQRIAPALHX-CYBMUJFWSA-N 0 3 237.391 3.352 20 0 BGADHN CCCCCC[C@H](C)NCc1ccn(CC)n1 ZINC000840836320 587924934 /nfs/dbraw/zinc/92/49/34/587924934.db2.gz AGNCXQRIAPALHX-ZDUSSCGKSA-N 0 3 237.391 3.352 20 0 BGADHN CCn1ccc(CNC2CCCCCCC2)n1 ZINC000840839372 587924854 /nfs/dbraw/zinc/92/48/54/587924854.db2.gz WKYREOJXBHBCJP-UHFFFAOYSA-N 0 3 235.375 3.106 20 0 BGADHN CCCCC[C@@H](C)NCc1cnc(CC)nc1 ZINC000840871797 587927030 /nfs/dbraw/zinc/92/70/30/587927030.db2.gz FSSWQLCBRMPQPF-GFCCVEGCSA-N 0 3 235.375 3.097 20 0 BGADHN CCCCC[C@H](C)NCc1cnc(CC)nc1 ZINC000840871799 587927178 /nfs/dbraw/zinc/92/71/78/587927178.db2.gz FSSWQLCBRMPQPF-LBPRGKRZSA-N 0 3 235.375 3.097 20 0 BGADHN Cc1ccc(CNCCCCCCC(C)C)nn1 ZINC000840873108 587927154 /nfs/dbraw/zinc/92/71/54/587927154.db2.gz PARQRZVDNNYCQN-UHFFFAOYSA-N 0 3 249.402 3.481 20 0 BGADHN CCCCCC[C@@H](C)NCc1cnc(CC)nc1 ZINC000840873312 582871761 /nfs/dbraw/zinc/87/17/61/582871761.db2.gz QSDSTROEKVLXFB-CYBMUJFWSA-N 0 3 249.402 3.488 20 0 BGADHN CCCCCC[C@H](C)NCc1cnc(CC)nc1 ZINC000840873315 582871787 /nfs/dbraw/zinc/87/17/87/582871787.db2.gz QSDSTROEKVLXFB-ZDUSSCGKSA-N 0 3 249.402 3.488 20 0 BGADHN Cc1cc(CNCC2CCCCCCC2)nn1C ZINC000840883410 587927872 /nfs/dbraw/zinc/92/78/72/587927872.db2.gz ZIRBHDIDWLDUOU-UHFFFAOYSA-N 0 3 249.402 3.179 20 0 BGADHN Cc1occc1CN[C@H](C)COc1ccccc1 ZINC000840888000 587927868 /nfs/dbraw/zinc/92/78/68/587927868.db2.gz TUCHERJWLXCMCN-GFCCVEGCSA-N 0 3 245.322 3.145 20 0 BGADHN Cc1occc1CN[C@@H](C)COc1ccccc1 ZINC000840888001 587928057 /nfs/dbraw/zinc/92/80/57/587928057.db2.gz TUCHERJWLXCMCN-LBPRGKRZSA-N 0 3 245.322 3.145 20 0 BGADHN CCC[C@H]1CCCC[C@H]1NCc1ccc(C)nn1 ZINC000840889309 587929046 /nfs/dbraw/zinc/92/90/46/587929046.db2.gz RRCLAMLCYXXKPJ-DZGCQCFKSA-N 0 3 247.386 3.234 20 0 BGADHN CCC[C@@H]1CCCC[C@@H]1NCc1ccc(C)nn1 ZINC000840889310 587928632 /nfs/dbraw/zinc/92/86/32/587928632.db2.gz RRCLAMLCYXXKPJ-HIFRSBDPSA-N 0 3 247.386 3.234 20 0 BGADHN CCC[C@@H]1CCCC[C@H]1NCc1ccc(C)nn1 ZINC000840889311 587928781 /nfs/dbraw/zinc/92/87/81/587928781.db2.gz RRCLAMLCYXXKPJ-UKRRQHHQSA-N 0 3 247.386 3.234 20 0 BGADHN CCC[C@H]1CCCC[C@@H]1NCc1ccc(C)nn1 ZINC000840889567 587928409 /nfs/dbraw/zinc/92/84/09/587928409.db2.gz RRCLAMLCYXXKPJ-ZFWWWQNUSA-N 0 3 247.386 3.234 20 0 BGADHN CCCCCC(C)(C)CNCc1ccc(C)nn1 ZINC000840906506 587928551 /nfs/dbraw/zinc/92/85/51/587928551.db2.gz YNOPMWNWCZXNSW-UHFFFAOYSA-N 0 3 249.402 3.481 20 0 BGADHN Cc1ccc(CN(C2CC2)C2CCCCC2)nn1 ZINC000840909462 587929622 /nfs/dbraw/zinc/92/96/22/587929622.db2.gz CMKCSSRTLCQYFQ-UHFFFAOYSA-N 0 3 245.370 3.082 20 0 BGADHN CCN(CCc1ccccn1)Cc1ccoc1C ZINC000840911632 587929826 /nfs/dbraw/zinc/92/98/26/587929826.db2.gz KSJIJCXZZQYKJO-UHFFFAOYSA-N 0 3 244.338 3.048 20 0 BGADHN Cc1ccc(CN(C)C2CCCCCCC2)nn1 ZINC000840912402 587929850 /nfs/dbraw/zinc/92/98/50/587929850.db2.gz GMYMHABWXINVSR-UHFFFAOYSA-N 0 3 247.386 3.330 20 0 BGADHN CCc1ncc(CN2CCCCCCCC2)cn1 ZINC000840951276 587932076 /nfs/dbraw/zinc/93/20/76/587932076.db2.gz UTGSPNRRKBTCNF-UHFFFAOYSA-N 0 3 247.386 3.195 20 0 BGADHN Cc1occc1CNC[C@]1(C)CC1(Cl)Cl ZINC000840951357 587931930 /nfs/dbraw/zinc/93/19/30/587931930.db2.gz VKVPZKRVFBJKDO-JTQLQIEISA-N 0 3 248.153 3.262 20 0 BGADHN Cc1occc1CNC[C@@]1(C)CC1(Cl)Cl ZINC000840951362 587931877 /nfs/dbraw/zinc/93/18/77/587931877.db2.gz VKVPZKRVFBJKDO-SNVBAGLBSA-N 0 3 248.153 3.262 20 0 BGADHN c1cc(CN2CCSC3(CCC3)CC2)co1 ZINC000840954571 587931937 /nfs/dbraw/zinc/93/19/37/587931937.db2.gz KHQPBSJIKBZORO-UHFFFAOYSA-N 0 3 237.368 3.141 20 0 BGADHN C[C@H]1CC[C@@H]1Nc1ccc(CN(C)C)cc1F ZINC000840957178 583189149 /nfs/dbraw/zinc/18/91/49/583189149.db2.gz HRIZEHJTCOOKET-GWCFXTLKSA-N 0 3 236.334 3.098 20 0 BGADHN C[C@H]1CC[C@H]1Nc1ccc(CN(C)C)cc1F ZINC000840957179 583189139 /nfs/dbraw/zinc/18/91/39/583189139.db2.gz HRIZEHJTCOOKET-GXFFZTMASA-N 0 3 236.334 3.098 20 0 BGADHN C[C@@H]1CC[C@@H]1Nc1ccc(CN(C)C)cc1F ZINC000840957180 583189073 /nfs/dbraw/zinc/18/90/73/583189073.db2.gz HRIZEHJTCOOKET-MFKMUULPSA-N 0 3 236.334 3.098 20 0 BGADHN C[C@@H]1CC[C@H]1Nc1ccc(CN(C)C)cc1F ZINC000840957181 583189063 /nfs/dbraw/zinc/18/90/63/583189063.db2.gz HRIZEHJTCOOKET-ZWNOBZJWSA-N 0 3 236.334 3.098 20 0 BGADHN CN(C)Cc1ccc(NCc2ccoc2)c(F)c1 ZINC000840958958 583192398 /nfs/dbraw/zinc/19/23/98/583192398.db2.gz WWMNDNUHQODNOQ-UHFFFAOYSA-N 0 3 248.301 3.092 20 0 BGADHN C[C@H](NC/C=C/c1ccccc1)[C@@H]1CC1(F)F ZINC000840968282 587932585 /nfs/dbraw/zinc/93/25/85/587932585.db2.gz QKOKKBYYXMYBCY-OBGXAZDVSA-N 0 3 237.293 3.333 20 0 BGADHN C[C@H](NC/C=C/c1ccccc1)[C@H]1CC1(F)F ZINC000840968283 587932199 /nfs/dbraw/zinc/93/21/99/587932199.db2.gz QKOKKBYYXMYBCY-PJKPIPPESA-N 0 3 237.293 3.333 20 0 BGADHN C[C@H](NC/C=C\c1ccccc1)[C@H]1CC1(F)F ZINC000840968284 587932449 /nfs/dbraw/zinc/93/24/49/587932449.db2.gz QKOKKBYYXMYBCY-UGCNIRMFSA-N 0 3 237.293 3.333 20 0 BGADHN C[C@H](NC/C=C\c1ccccc1)[C@@H]1CC1(F)F ZINC000840968285 587932295 /nfs/dbraw/zinc/93/22/95/587932295.db2.gz QKOKKBYYXMYBCY-XNVNWHNOSA-N 0 3 237.293 3.333 20 0 BGADHN CCN(Cc1occc1C)C[C@H]1CCC=CO1 ZINC000840970379 587932951 /nfs/dbraw/zinc/93/29/51/587932951.db2.gz SCQQGNBDKXCAAM-CYBMUJFWSA-N 0 3 235.327 3.103 20 0 BGADHN CCN(Cc1occc1C)C[C@@H]1CCC=CO1 ZINC000840970381 587933360 /nfs/dbraw/zinc/93/33/60/587933360.db2.gz SCQQGNBDKXCAAM-ZDUSSCGKSA-N 0 3 235.327 3.103 20 0 BGADHN Cc1nc(F)ccc1CN1CC(C)(C)C[C@@H]1C ZINC000840970806 583206858 /nfs/dbraw/zinc/20/68/58/583206858.db2.gz WVCISTXCQXHCOS-JTQLQIEISA-N 0 3 236.334 3.150 20 0 BGADHN Cc1nc(F)ccc1CN1CC(C)(C)C[C@H]1C ZINC000840970809 583206846 /nfs/dbraw/zinc/20/68/46/583206846.db2.gz WVCISTXCQXHCOS-SNVBAGLBSA-N 0 3 236.334 3.150 20 0 BGADHN CCN(Cc1ccoc1)C1CC(C)(C)C1 ZINC000840971653 587932976 /nfs/dbraw/zinc/93/29/76/587932976.db2.gz RNULXOAGBYZVRA-UHFFFAOYSA-N 0 3 207.317 3.290 20 0 BGADHN CCN(Cc1ccc(F)nc1)C1CC(C)(C)C1 ZINC000840971679 587933305 /nfs/dbraw/zinc/93/33/05/587933305.db2.gz SXMSUHVXDKDCAX-UHFFFAOYSA-N 0 3 236.334 3.231 20 0 BGADHN Cc1cc(CNC(C)(C)COC(C)C)c(C)o1 ZINC000840973190 587933356 /nfs/dbraw/zinc/93/33/56/587933356.db2.gz FDXUDSQSSFUIHM-UHFFFAOYSA-N 0 3 239.359 3.190 20 0 BGADHN Cc1nc(F)ccc1CN1CC[C@H](C2CCC2)C1 ZINC000840976755 587933291 /nfs/dbraw/zinc/93/32/91/587933291.db2.gz FHOYKSMFHICOHN-AWEZNQCLSA-N 0 3 248.345 3.151 20 0 BGADHN Cc1nc(F)ccc1CN1CC[C@@H](C2CCC2)C1 ZINC000840976756 583213575 /nfs/dbraw/zinc/21/35/75/583213575.db2.gz FHOYKSMFHICOHN-CQSZACIVSA-N 0 3 248.345 3.151 20 0 BGADHN CC(C)CCCNc1ccc2c(c1)CNCCO2 ZINC000841080259 587945169 /nfs/dbraw/zinc/94/51/69/587945169.db2.gz ANABSHPXRWOUKK-UHFFFAOYSA-N 0 3 248.370 3.017 20 0 BGADHN CC(C)(C)CCNc1ccc2c(c1)CNCCO2 ZINC000841081741 587944777 /nfs/dbraw/zinc/94/47/77/587944777.db2.gz FCPQJAFYEHQHCI-UHFFFAOYSA-N 0 3 248.370 3.017 20 0 BGADHN CCC(CC)CNc1ccc2c(c1)CNCCO2 ZINC000841083116 587945828 /nfs/dbraw/zinc/94/58/28/587945828.db2.gz RSLCSOCGBJSBRY-UHFFFAOYSA-N 0 3 248.370 3.017 20 0 BGADHN CCC[C@@H](C)CNc1ccc2c(c1)CNCCO2 ZINC000841083676 587945573 /nfs/dbraw/zinc/94/55/73/587945573.db2.gz XMCFBVXBIOJKAW-GFCCVEGCSA-N 0 3 248.370 3.017 20 0 BGADHN CCC[C@H](C)CNc1ccc2c(c1)CNCCO2 ZINC000841083681 587945888 /nfs/dbraw/zinc/94/58/88/587945888.db2.gz XMCFBVXBIOJKAW-LBPRGKRZSA-N 0 3 248.370 3.017 20 0 BGADHN c1c(CNC2CCCC2)onc1-c1ccccc1 ZINC000841303672 587951276 /nfs/dbraw/zinc/95/12/76/587951276.db2.gz CZEMHJNEIPAEPG-UHFFFAOYSA-N 0 3 242.322 3.374 20 0 BGADHN CCC[C@H](N[C@H]1CCn2ccnc21)[C@H]1CC1(C)C ZINC000841755558 587974511 /nfs/dbraw/zinc/97/45/11/587974511.db2.gz JFSVKJZHGDMVTQ-AGIUHOORSA-N 0 3 247.386 3.132 20 0 BGADHN CCC[C@H](N[C@H]1CCn2ccnc21)[C@@H]1CC1(C)C ZINC000841755559 587974152 /nfs/dbraw/zinc/97/41/52/587974152.db2.gz JFSVKJZHGDMVTQ-AVGNSLFASA-N 0 3 247.386 3.132 20 0 BGADHN CCC[C@H](N[C@@H]1CCn2ccnc21)[C@H]1CC1(C)C ZINC000841755560 587974477 /nfs/dbraw/zinc/97/44/77/587974477.db2.gz JFSVKJZHGDMVTQ-FRRDWIJNSA-N 0 3 247.386 3.132 20 0 BGADHN CCC[C@H](N[C@@H]1CCn2ccnc21)[C@@H]1CC1(C)C ZINC000841755561 587974518 /nfs/dbraw/zinc/97/45/18/587974518.db2.gz JFSVKJZHGDMVTQ-RWMBFGLXSA-N 0 3 247.386 3.132 20 0 BGADHN Cc1cc(CN(C2CC2)C2CCCCC2)n(C)n1 ZINC000841830671 587976561 /nfs/dbraw/zinc/97/65/61/587976561.db2.gz LIFYFMKAGNMOPK-UHFFFAOYSA-N 0 3 247.386 3.026 20 0 BGADHN Cc1cc(CN(C)C2CCCCCCC2)n(C)n1 ZINC000841836935 583344661 /nfs/dbraw/zinc/34/46/61/583344661.db2.gz ABJMRZSUUYYACY-UHFFFAOYSA-N 0 3 249.402 3.273 20 0 BGADHN CCn1cncc1CN(C)C1CCCCCCC1 ZINC000841837136 587976882 /nfs/dbraw/zinc/97/68/82/587976882.db2.gz YMQBVTGFIGDLRQ-UHFFFAOYSA-N 0 3 249.402 3.448 20 0 BGADHN CCn1cncc1CN1CCC(CC(C)C)CC1 ZINC000841847705 583360669 /nfs/dbraw/zinc/36/06/69/583360669.db2.gz IAPCKNOMIMXBFV-UHFFFAOYSA-N 0 3 249.402 3.161 20 0 BGADHN CC(C)c1ccccc1CN[C@@H]1COC(C)(C)C1 ZINC000841876370 587979854 /nfs/dbraw/zinc/97/98/54/587979854.db2.gz IKJPBDGBJNQHMR-AWEZNQCLSA-N 0 3 247.382 3.467 20 0 BGADHN CC(C)c1ccccc1CN[C@H]1COC(C)(C)C1 ZINC000841876372 587979969 /nfs/dbraw/zinc/97/99/69/587979969.db2.gz IKJPBDGBJNQHMR-CQSZACIVSA-N 0 3 247.382 3.467 20 0 BGADHN CCn1cncc1CN1CCCCCCCC1 ZINC000841886606 587981520 /nfs/dbraw/zinc/98/15/20/587981520.db2.gz UXCXPLSAQCCWSD-UHFFFAOYSA-N 0 3 235.375 3.059 20 0 BGADHN CO[C@H](CNCc1cc(C)oc1C)CC(C)C ZINC000841888688 587981531 /nfs/dbraw/zinc/98/15/31/587981531.db2.gz NIGBVTPWLVGRCX-AWEZNQCLSA-N 0 3 239.359 3.047 20 0 BGADHN CO[C@@H](CNCc1cc(C)oc1C)CC(C)C ZINC000841888689 587981180 /nfs/dbraw/zinc/98/11/80/587981180.db2.gz NIGBVTPWLVGRCX-CQSZACIVSA-N 0 3 239.359 3.047 20 0 BGADHN Cc1nc(F)ccc1CN1C[C@H](C)[C@@H](C)[C@H]1C ZINC000841890411 587982317 /nfs/dbraw/zinc/98/23/17/587982317.db2.gz PBYVABPKOJWVEQ-HOSYDEDBSA-N 0 3 236.334 3.005 20 0 BGADHN Cc1nc(F)ccc1CN1C[C@H](C)[C@H](C)[C@H]1C ZINC000841890415 587981760 /nfs/dbraw/zinc/98/17/60/587981760.db2.gz PBYVABPKOJWVEQ-JBLDHEPKSA-N 0 3 236.334 3.005 20 0 BGADHN Cc1nc(F)ccc1CN1C[C@H](C)[C@H](C)[C@@H]1C ZINC000841890418 587982162 /nfs/dbraw/zinc/98/21/62/587982162.db2.gz PBYVABPKOJWVEQ-NHCYSSNCSA-N 0 3 236.334 3.005 20 0 BGADHN Cc1nc(F)ccc1CN1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000841890420 587982064 /nfs/dbraw/zinc/98/20/64/587982064.db2.gz PBYVABPKOJWVEQ-UMNHJUIQSA-N 0 3 236.334 3.005 20 0 BGADHN CC[C@@H](NCc1coc(C2CC2)n1)[C@H]1CC1(C)C ZINC000841890545 583678967 /nfs/dbraw/zinc/67/89/67/583678967.db2.gz JFAXRVLDMCMJRU-CHWSQXEVSA-N 0 3 248.370 3.466 20 0 BGADHN CC[C@H](NCc1coc(C2CC2)n1)[C@H]1CC1(C)C ZINC000841890547 583678747 /nfs/dbraw/zinc/67/87/47/583678747.db2.gz JFAXRVLDMCMJRU-OLZOCXBDSA-N 0 3 248.370 3.466 20 0 BGADHN CC[C@@H](NCc1coc(C2CC2)n1)[C@@H]1CC1(C)C ZINC000841890552 583678817 /nfs/dbraw/zinc/67/88/17/583678817.db2.gz JFAXRVLDMCMJRU-QWHCGFSZSA-N 0 3 248.370 3.466 20 0 BGADHN CC[C@H](NCc1coc(C2CC2)n1)[C@@H]1CC1(C)C ZINC000841890561 583678623 /nfs/dbraw/zinc/67/86/23/583678623.db2.gz JFAXRVLDMCMJRU-STQMWFEESA-N 0 3 248.370 3.466 20 0 BGADHN CC[C@H](CNC(C)(C)c1ccc(F)cc1)OC ZINC000842153872 588004357 /nfs/dbraw/zinc/00/43/57/588004357.db2.gz RTCKYKLHWHVWQK-CYBMUJFWSA-N 0 3 239.334 3.075 20 0 BGADHN CC[C@@H](CNC(C)(C)c1ccc(F)cc1)OC ZINC000842153876 588003835 /nfs/dbraw/zinc/00/38/35/588003835.db2.gz RTCKYKLHWHVWQK-ZDUSSCGKSA-N 0 3 239.334 3.075 20 0 BGADHN CC(C)c1ccccc1CN[C@H]1CO[C@@H](C)C1 ZINC000842699586 588053843 /nfs/dbraw/zinc/05/38/43/588053843.db2.gz BVBUMRVPQSPKBR-GXTWGEPZSA-N 0 3 233.355 3.077 20 0 BGADHN CC(C)c1ccccc1CN[C@@H]1CO[C@@H](C)C1 ZINC000842699589 588053852 /nfs/dbraw/zinc/05/38/52/588053852.db2.gz BVBUMRVPQSPKBR-JSGCOSHPSA-N 0 3 233.355 3.077 20 0 BGADHN CC(C)c1ccccc1CN[C@@H]1CO[C@H](C)C1 ZINC000842699590 588054107 /nfs/dbraw/zinc/05/41/07/588054107.db2.gz BVBUMRVPQSPKBR-OCCSQVGLSA-N 0 3 233.355 3.077 20 0 BGADHN CC(C)c1ccccc1CN[C@H]1CO[C@H](C)C1 ZINC000842699592 588054173 /nfs/dbraw/zinc/05/41/73/588054173.db2.gz BVBUMRVPQSPKBR-TZMCWYRMSA-N 0 3 233.355 3.077 20 0 BGADHN C[C@@H](CNCc1cccnc1Cl)CC(F)F ZINC000842727642 588055606 /nfs/dbraw/zinc/05/56/06/588055606.db2.gz OJHJEAOZFATJLO-MRVPVSSYSA-N 0 3 248.704 3.116 20 0 BGADHN C[C@H](CNCc1cccnc1Cl)CC(F)F ZINC000842727643 588055488 /nfs/dbraw/zinc/05/54/88/588055488.db2.gz OJHJEAOZFATJLO-QMMMGPOBSA-N 0 3 248.704 3.116 20 0 BGADHN Clc1ncccc1CN[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000842776621 587353266 /nfs/dbraw/zinc/35/32/66/587353266.db2.gz MZKVDDYGELXELX-YUSALJHKSA-N 0 3 236.746 3.013 20 0 BGADHN Clc1ncccc1CN[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000842776622 587353321 /nfs/dbraw/zinc/35/33/21/587353321.db2.gz MZKVDDYGELXELX-ZMLRMANQSA-N 0 3 236.746 3.013 20 0 BGADHN Cc1csc(CNCC2CCC(F)CC2)n1 ZINC000842777617 588062776 /nfs/dbraw/zinc/06/27/76/588062776.db2.gz HBJHTRHCHMUVQF-UHFFFAOYSA-N 0 3 242.363 3.069 20 0 BGADHN CCCCCCN[C@H](C)c1cc2n(n1)CCCC2 ZINC000842826163 645251776 /nfs/dbraw/zinc/25/17/76/645251776.db2.gz GRXDVIIPPYACCD-CYBMUJFWSA-N 0 3 249.402 3.450 20 0 BGADHN CCCCCCN[C@@H](C)c1cc2n(n1)CCCC2 ZINC000842826164 645251903 /nfs/dbraw/zinc/25/19/03/645251903.db2.gz GRXDVIIPPYACCD-ZDUSSCGKSA-N 0 3 249.402 3.450 20 0 BGADHN C[C@@H](NCCC1CCC1)c1cc2n(n1)CCCC2 ZINC000842851558 588070025 /nfs/dbraw/zinc/07/00/25/588070025.db2.gz JHBONRBTJCTHJI-GFCCVEGCSA-N 0 3 247.386 3.060 20 0 BGADHN C[C@H](NCCC1CCC1)c1cc2n(n1)CCCC2 ZINC000842851562 588069901 /nfs/dbraw/zinc/06/99/01/588069901.db2.gz JHBONRBTJCTHJI-LBPRGKRZSA-N 0 3 247.386 3.060 20 0 BGADHN C[C@@H](N[C@@H](C)C1(C)CC1)c1cc2n(n1)CCCC2 ZINC000842854183 588070428 /nfs/dbraw/zinc/07/04/28/588070428.db2.gz BSNHPTCJUKDZQL-NEPJUHHUSA-N 0 3 247.386 3.059 20 0 BGADHN C[C@@H](N[C@@H](C)c1cc2n(n1)CCCC2)C1(C)CC1 ZINC000842854185 588070508 /nfs/dbraw/zinc/07/05/08/588070508.db2.gz BSNHPTCJUKDZQL-NWDGAFQWSA-N 0 3 247.386 3.059 20 0 BGADHN C[C@H](N[C@@H](C)C1(C)CC1)c1cc2n(n1)CCCC2 ZINC000842854188 588070502 /nfs/dbraw/zinc/07/05/02/588070502.db2.gz BSNHPTCJUKDZQL-RYUDHWBXSA-N 0 3 247.386 3.059 20 0 BGADHN C[C@@H](N[C@H](C)C1(C)CC1)c1cc2n(n1)CCCC2 ZINC000842854190 588070390 /nfs/dbraw/zinc/07/03/90/588070390.db2.gz BSNHPTCJUKDZQL-VXGBXAGGSA-N 0 3 247.386 3.059 20 0 BGADHN C[C@@H](N[C@@H]1CCC1(C)C)c1cc2n(n1)CCCC2 ZINC000842870791 645255640 /nfs/dbraw/zinc/25/56/40/645255640.db2.gz IPEXXECCTMTJJQ-BXUZGUMPSA-N 0 3 247.386 3.059 20 0 BGADHN C[C@H](N[C@H]1CCC1(C)C)c1cc2n(n1)CCCC2 ZINC000842870792 645255346 /nfs/dbraw/zinc/25/53/46/645255346.db2.gz IPEXXECCTMTJJQ-FZMZJTMJSA-N 0 3 247.386 3.059 20 0 BGADHN C[C@@H](N[C@H]1CCC1(C)C)c1cc2n(n1)CCCC2 ZINC000842870793 645254907 /nfs/dbraw/zinc/25/49/07/645254907.db2.gz IPEXXECCTMTJJQ-RISCZKNCSA-N 0 3 247.386 3.059 20 0 BGADHN C[C@H](N[C@@H]1CCC1(C)C)c1cc2n(n1)CCCC2 ZINC000842870794 645254782 /nfs/dbraw/zinc/25/47/82/645254782.db2.gz IPEXXECCTMTJJQ-SMDDNHRTSA-N 0 3 247.386 3.059 20 0 BGADHN COc1ccccc1C1(N[C@H]2CC[C@@H]2C)CC1 ZINC000842902305 588071537 /nfs/dbraw/zinc/07/15/37/588071537.db2.gz NCCDKWKVPHTWEJ-AAEUAGOBSA-N 0 3 231.339 3.072 20 0 BGADHN COc1ccccc1C1(N[C@@H]2CC[C@H]2C)CC1 ZINC000842902306 588071286 /nfs/dbraw/zinc/07/12/86/588071286.db2.gz NCCDKWKVPHTWEJ-DGCLKSJQSA-N 0 3 231.339 3.072 20 0 BGADHN COc1ccccc1C1(N[C@@H]2CC[C@@H]2C)CC1 ZINC000842902308 588071445 /nfs/dbraw/zinc/07/14/45/588071445.db2.gz NCCDKWKVPHTWEJ-WCQYABFASA-N 0 3 231.339 3.072 20 0 BGADHN COc1ccccc1C1(N[C@H]2CC[C@H]2C)CC1 ZINC000842902309 588071701 /nfs/dbraw/zinc/07/17/01/588071701.db2.gz NCCDKWKVPHTWEJ-YPMHNXCESA-N 0 3 231.339 3.072 20 0 BGADHN C[C@@H](N[C@@H](C1CCC1)C1CCCC1)c1ncc[nH]1 ZINC000842904292 588071341 /nfs/dbraw/zinc/07/13/41/588071341.db2.gz UDRDLMFVIXVNMJ-BXUZGUMPSA-N 0 3 247.386 3.419 20 0 BGADHN C[C@H](N[C@H](C1CCC1)C1CCCC1)c1ncc[nH]1 ZINC000842904293 588071710 /nfs/dbraw/zinc/07/17/10/588071710.db2.gz UDRDLMFVIXVNMJ-FZMZJTMJSA-N 0 3 247.386 3.419 20 0 BGADHN C[C@@H](N[C@H](C1CCC1)C1CCCC1)c1ncc[nH]1 ZINC000842904294 588071474 /nfs/dbraw/zinc/07/14/74/588071474.db2.gz UDRDLMFVIXVNMJ-RISCZKNCSA-N 0 3 247.386 3.419 20 0 BGADHN C[C@H](N[C@@H](C1CCC1)C1CCCC1)c1ncc[nH]1 ZINC000842904295 588071413 /nfs/dbraw/zinc/07/14/13/588071413.db2.gz UDRDLMFVIXVNMJ-SMDDNHRTSA-N 0 3 247.386 3.419 20 0 BGADHN CCc1noc(C)c1[C@H](C)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000842928134 588071986 /nfs/dbraw/zinc/07/19/86/588071986.db2.gz HMQNCWFJBBPHGS-WKSBVSIWSA-N 0 3 248.370 3.385 20 0 BGADHN CCc1noc(C)c1[C@H](C)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000842928135 588072126 /nfs/dbraw/zinc/07/21/26/588072126.db2.gz HMQNCWFJBBPHGS-XYJRDEOASA-N 0 3 248.370 3.385 20 0 BGADHN CC(C)Cn1nccc1CN1CCCCCCC1 ZINC000843391439 645289452 /nfs/dbraw/zinc/28/94/52/645289452.db2.gz QXMNSQRNVVANFF-UHFFFAOYSA-N 0 3 249.402 3.305 20 0 BGADHN Cc1nc(F)ccc1CN1CC[C@@H]2CCCC[C@@H]21 ZINC000843415494 588107361 /nfs/dbraw/zinc/10/73/61/588107361.db2.gz HOAKVIFLSKGZTF-JSGCOSHPSA-N 0 3 248.345 3.294 20 0 BGADHN c1oc(C2CC2)nc1CN1CC[C@@H]2CCCC[C@@H]21 ZINC000843416144 588107568 /nfs/dbraw/zinc/10/75/68/588107568.db2.gz PSQDFPVDUOHQFF-FZMZJTMJSA-N 0 3 246.354 3.317 20 0 BGADHN Cc1ccccc1C1(NC[C@@H]2CCC=CO2)CC1 ZINC000843418886 588107524 /nfs/dbraw/zinc/10/75/24/588107524.db2.gz LTEQVHQIRFSVTP-AWEZNQCLSA-N 0 3 243.350 3.266 20 0 BGADHN Cc1ccccc1C1(NC[C@H]2CCC=CO2)CC1 ZINC000843418888 588107315 /nfs/dbraw/zinc/10/73/15/588107315.db2.gz LTEQVHQIRFSVTP-CQSZACIVSA-N 0 3 243.350 3.266 20 0 BGADHN CN(CCC(C)(C)C)Cc1ccc(F)nc1 ZINC000843424943 588108274 /nfs/dbraw/zinc/10/82/74/588108274.db2.gz AXZAKDNPWXXGFI-UHFFFAOYSA-N 0 3 224.323 3.089 20 0 BGADHN Cc1nc(F)ccc1CN(C)CCC(C)(C)C ZINC000843425212 588108255 /nfs/dbraw/zinc/10/82/55/588108255.db2.gz IJYBBRYROYVQCT-UHFFFAOYSA-N 0 3 238.350 3.397 20 0 BGADHN Cc1cc(CN(C)C(C)(C)C)cnc1Cl ZINC000843430900 588109080 /nfs/dbraw/zinc/10/90/80/588109080.db2.gz JBEAXOZKBYBVJS-UHFFFAOYSA-N 0 3 226.751 3.274 20 0 BGADHN CC(C)[C@@H]1N(Cc2ccoc2)CC12CC=CC2 ZINC000843431550 588109225 /nfs/dbraw/zinc/10/92/25/588109225.db2.gz HFVHBVOHNUWNCU-AWEZNQCLSA-N 0 3 231.339 3.456 20 0 BGADHN CC(C)[C@H]1N(Cc2ccoc2)CC12CC=CC2 ZINC000843431551 588109044 /nfs/dbraw/zinc/10/90/44/588109044.db2.gz HFVHBVOHNUWNCU-CQSZACIVSA-N 0 3 231.339 3.456 20 0 BGADHN CCN(CCSC)Cc1cc(C)oc1C ZINC000843437886 588110569 /nfs/dbraw/zinc/11/05/69/588110569.db2.gz ZAUOLQBJTBPQBC-UHFFFAOYSA-N 0 3 227.373 3.081 20 0 BGADHN Fc1ccc(CN2CCCC[C@H]2C2CCC2)cn1 ZINC000843437891 588110315 /nfs/dbraw/zinc/11/03/15/588110315.db2.gz ZKEGPSPXTROLKF-AWEZNQCLSA-N 0 3 248.345 3.375 20 0 BGADHN Fc1ccc(CN2CCCC[C@@H]2C2CCC2)cn1 ZINC000843437892 588110146 /nfs/dbraw/zinc/11/01/46/588110146.db2.gz ZKEGPSPXTROLKF-CQSZACIVSA-N 0 3 248.345 3.375 20 0 BGADHN CCN(Cc1cc(OC(C)C)ccn1)C(C)C ZINC000844278210 645319416 /nfs/dbraw/zinc/31/94/16/645319416.db2.gz FTNOSRTVELYUKM-UHFFFAOYSA-N 0 3 236.359 3.099 20 0 BGADHN CC[C@H](OCCN1CC[C@@H]2C[C@@H]21)c1ccccc1 ZINC000844313717 588183656 /nfs/dbraw/zinc/18/36/56/588183656.db2.gz OEWVXVCCXYJUDS-PMPSAXMXSA-N 0 3 245.366 3.249 20 0 BGADHN CC[C@H](OCCN1CC[C@H]2C[C@H]21)c1ccccc1 ZINC000844313719 588183635 /nfs/dbraw/zinc/18/36/35/588183635.db2.gz OEWVXVCCXYJUDS-XHSDSOJGSA-N 0 3 245.366 3.249 20 0 BGADHN Cc1nnsc1CN1CCCCCCCC1 ZINC000844336134 588186045 /nfs/dbraw/zinc/18/60/45/588186045.db2.gz AXYPEPWGPJUDDJ-UHFFFAOYSA-N 0 3 239.388 3.003 20 0 BGADHN FCCN1CCC2(CCc3ccccc3C2)CC1 ZINC000844350784 588186378 /nfs/dbraw/zinc/18/63/78/588186378.db2.gz HMPOTLZTSULERW-UHFFFAOYSA-N 0 3 247.357 3.227 20 0 BGADHN Fc1cccc(OCCN2CCC23CCCC3)c1 ZINC000844359141 588187571 /nfs/dbraw/zinc/18/75/71/588187571.db2.gz NAADGZSAHSXIIH-UHFFFAOYSA-N 0 3 249.329 3.223 20 0 BGADHN ClC1(Cl)C[C@@H]1CN1CCC12CCCC2 ZINC000844359147 588187266 /nfs/dbraw/zinc/18/72/66/588187266.db2.gz NCNQJCDRKONKAY-SECBINFHSA-N 0 3 234.170 3.199 20 0 BGADHN ClC1(Cl)C[C@H]1CN1CCC12CCCC2 ZINC000844359152 588187348 /nfs/dbraw/zinc/18/73/48/588187348.db2.gz NCNQJCDRKONKAY-VIFPVBQESA-N 0 3 234.170 3.199 20 0 BGADHN Clc1ncccc1CNC1(C2CCC2)CC1 ZINC000844419031 645330886 /nfs/dbraw/zinc/33/08/86/645330886.db2.gz KLRDSUFQPCUWOO-UHFFFAOYSA-N 0 3 236.746 3.157 20 0 BGADHN Clc1ccc(CNC2(C3CCC3)CC2)cn1 ZINC000844419735 588191942 /nfs/dbraw/zinc/19/19/42/588191942.db2.gz QLSCRJVPJWVDQY-UHFFFAOYSA-N 0 3 236.746 3.157 20 0 BGADHN C[C@H]1CN(C/C=C/Cl)CCc2ccccc21 ZINC000844424306 588191976 /nfs/dbraw/zinc/19/19/76/588191976.db2.gz AVACZUIDXWEXRF-GXWOQWCDSA-N 0 3 235.758 3.401 20 0 BGADHN C[C@@H]1CN(C/C=C\Cl)CCc2ccccc21 ZINC000844424307 582581714 /nfs/dbraw/zinc/58/17/14/582581714.db2.gz AVACZUIDXWEXRF-HXUAIIEXSA-N 0 3 235.758 3.401 20 0 BGADHN C[C@H]1CN(C/C=C\Cl)CCc2ccccc21 ZINC000844424308 582581284 /nfs/dbraw/zinc/58/12/84/582581284.db2.gz AVACZUIDXWEXRF-LDJOOVGUSA-N 0 3 235.758 3.401 20 0 BGADHN C[C@@H]1CN(C/C=C/Cl)CCc2ccccc21 ZINC000844424309 582581463 /nfs/dbraw/zinc/58/14/63/582581463.db2.gz AVACZUIDXWEXRF-WNPFHQFXSA-N 0 3 235.758 3.401 20 0 BGADHN FC(F)(F)CCN1CCC[C@@]2(CC2(F)F)C1 ZINC000844434788 588192737 /nfs/dbraw/zinc/19/27/37/588192737.db2.gz BMVRZEMRSLSKTJ-MRVPVSSYSA-N 0 3 243.219 3.060 20 0 BGADHN FC(F)(F)CCN1CCC[C@]2(CC2(F)F)C1 ZINC000844434790 588193267 /nfs/dbraw/zinc/19/32/67/588193267.db2.gz BMVRZEMRSLSKTJ-QMMMGPOBSA-N 0 3 243.219 3.060 20 0 BGADHN FC1(F)C[C@@]12CCCN(Cc1cccs1)C2 ZINC000844434796 588193053 /nfs/dbraw/zinc/19/30/53/588193053.db2.gz BRGJMSWBSVOVDC-LLVKDONJSA-N 0 3 243.322 3.369 20 0 BGADHN FC1(F)C[C@]12CCCN(Cc1cccs1)C2 ZINC000844434798 588193272 /nfs/dbraw/zinc/19/32/72/588193272.db2.gz BRGJMSWBSVOVDC-NSHDSACASA-N 0 3 243.322 3.369 20 0 BGADHN CC(C)=CCN1CCC[C@@]2(CC2(F)F)C1 ZINC000844435190 588192971 /nfs/dbraw/zinc/19/29/71/588192971.db2.gz CXCWQQHFSFCGPZ-LLVKDONJSA-N 0 3 215.287 3.074 20 0 BGADHN CC(C)=CCN1CCC[C@]2(CC2(F)F)C1 ZINC000844435192 588193086 /nfs/dbraw/zinc/19/30/86/588193086.db2.gz CXCWQQHFSFCGPZ-NSHDSACASA-N 0 3 215.287 3.074 20 0 BGADHN FC1(F)C[C@]12CCCN([C@@H]1C=CCCC1)C2 ZINC000844436491 588193389 /nfs/dbraw/zinc/19/33/89/588193389.db2.gz IEPQJHAKDJBEFV-NEPJUHHUSA-N 0 3 227.298 3.216 20 0 BGADHN FC1(F)C[C@@]12CCCN([C@H]1C=CCCC1)C2 ZINC000844436501 588191957 /nfs/dbraw/zinc/19/19/57/588191957.db2.gz IEPQJHAKDJBEFV-NWDGAFQWSA-N 0 3 227.298 3.216 20 0 BGADHN FC1(F)C[C@]12CCCN([C@H]1C=CCCC1)C2 ZINC000844436503 588191797 /nfs/dbraw/zinc/19/17/97/588191797.db2.gz IEPQJHAKDJBEFV-RYUDHWBXSA-N 0 3 227.298 3.216 20 0 BGADHN FC1(F)C[C@@]12CCCN(Cc1ccccc1)C2 ZINC000844436527 588192880 /nfs/dbraw/zinc/19/28/80/588192880.db2.gz QGYRWUPRKQJDAH-CYBMUJFWSA-N 0 3 237.293 3.308 20 0 BGADHN FC1(F)C[C@]12CCCN(Cc1ccccc1)C2 ZINC000844436529 588193138 /nfs/dbraw/zinc/19/31/38/588193138.db2.gz QGYRWUPRKQJDAH-ZDUSSCGKSA-N 0 3 237.293 3.308 20 0 BGADHN FC1(F)C[C@@]12CCCN(CC1=CCCC1)C2 ZINC000844440536 588194055 /nfs/dbraw/zinc/19/40/55/588194055.db2.gz CXMJQVDHMQUNNI-GFCCVEGCSA-N 0 3 227.298 3.218 20 0 BGADHN FC1(F)C[C@]12CCCN(CC1=CCCC1)C2 ZINC000844440538 588194147 /nfs/dbraw/zinc/19/41/47/588194147.db2.gz CXMJQVDHMQUNNI-LBPRGKRZSA-N 0 3 227.298 3.218 20 0 BGADHN Cc1ccc(C)c(CN2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000844449460 588195029 /nfs/dbraw/zinc/19/50/29/588195029.db2.gz DVHVXHNFYXGYMQ-BETUJISGSA-N 0 3 237.293 3.000 20 0 BGADHN Cc1cccc([C@@H](C)N2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000844450416 588195039 /nfs/dbraw/zinc/19/50/39/588195039.db2.gz LGESIGWFOOHOHZ-RTXFEEFZSA-N 0 3 237.293 3.253 20 0 BGADHN Cc1cccc([C@H](C)N2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000844450417 582589332 /nfs/dbraw/zinc/58/93/32/582589332.db2.gz LGESIGWFOOHOHZ-WCFLWFBJSA-N 0 3 237.293 3.253 20 0 BGADHN Cc1ccccc1[C@@H](C)N1C[C@H]2[C@@H](C1)C2(F)F ZINC000844451550 588195488 /nfs/dbraw/zinc/19/54/88/588195488.db2.gz DYXBGGGGRGRGEI-RTXFEEFZSA-N 0 3 237.293 3.253 20 0 BGADHN Cc1ccccc1[C@H](C)N1C[C@H]2[C@@H](C1)C2(F)F ZINC000844451551 588195293 /nfs/dbraw/zinc/19/52/93/588195293.db2.gz DYXBGGGGRGRGEI-WCFLWFBJSA-N 0 3 237.293 3.253 20 0 BGADHN Cc1cc(C)cc(CN2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000844452093 588195424 /nfs/dbraw/zinc/19/54/24/588195424.db2.gz MVTIAJOLOHNHRE-BETUJISGSA-N 0 3 237.293 3.000 20 0 BGADHN Cc1cc(CN2C[C@H]3[C@@H](C2)C3(F)F)c(C)s1 ZINC000844453215 582592054 /nfs/dbraw/zinc/59/20/54/582592054.db2.gz NQDKXAVKRXESIJ-PHIMTYICSA-N 0 3 243.322 3.062 20 0 BGADHN Cc1cccc(C)c1CN1C[C@H]2[C@@H](C1)C2(F)F ZINC000844453568 588195836 /nfs/dbraw/zinc/19/58/36/588195836.db2.gz VGDWUHIRQPQVPF-BETUJISGSA-N 0 3 237.293 3.000 20 0 BGADHN CC[C@H](c1ccccc1)N1C[C@H]2[C@@H](C1)C2(F)F ZINC000844455721 588196247 /nfs/dbraw/zinc/19/62/47/588196247.db2.gz XSPISRBKBGDDTE-FRRDWIJNSA-N 0 3 237.293 3.335 20 0 BGADHN CC[C@@H](c1ccccc1)N1C[C@H]2[C@@H](C1)C2(F)F ZINC000844455732 582592274 /nfs/dbraw/zinc/59/22/74/582592274.db2.gz XSPISRBKBGDDTE-XQQFMLRXSA-N 0 3 237.293 3.335 20 0 BGADHN FC1(F)[C@H]2CN(CCCC3CCCC3)C[C@H]21 ZINC000844457564 588196420 /nfs/dbraw/zinc/19/64/20/588196420.db2.gz ZPLJOKWJRGMGRV-TXEJJXNPSA-N 0 3 229.314 3.154 20 0 BGADHN Cc1ccc(CN2C[C@H]3[C@@H](C2)C3(F)F)cc1C ZINC000844458951 588196662 /nfs/dbraw/zinc/19/66/62/588196662.db2.gz QHUOBPRTTIHODL-BETUJISGSA-N 0 3 237.293 3.000 20 0 BGADHN FC1(F)[C@H]2CN(CC/C=C\c3ccccc3)C[C@H]21 ZINC000844459879 588196851 /nfs/dbraw/zinc/19/68/51/588196851.db2.gz DARANDGJUCYBPG-DACCUQLDSA-N 0 3 249.304 3.287 20 0 BGADHN FC1(F)[C@H]2CN(CC/C=C/c3ccccc3)C[C@H]21 ZINC000844459880 588196837 /nfs/dbraw/zinc/19/68/37/588196837.db2.gz DARANDGJUCYBPG-RNABNYGGSA-N 0 3 249.304 3.287 20 0 BGADHN Cc1ccc(CN2C[C@H]3[C@@H](C2)C3(F)F)c(C)c1 ZINC000844462330 588197373 /nfs/dbraw/zinc/19/73/73/588197373.db2.gz NTIDFCXSGOYVKQ-BETUJISGSA-N 0 3 237.293 3.000 20 0 BGADHN FC1(F)[C@H]2CN(CCC3=CCCCC3)C[C@H]21 ZINC000844464650 588197151 /nfs/dbraw/zinc/19/71/51/588197151.db2.gz YEMZGKBDLRGXRX-TXEJJXNPSA-N 0 3 227.298 3.074 20 0 BGADHN CCC[C@H](C)c1noc([C@@H]2CC[C@@H](C3CC3)N2)n1 ZINC000844909568 588219123 /nfs/dbraw/zinc/21/91/23/588219123.db2.gz NNRUMQLMODGTCZ-DLOVCJGASA-N 0 3 249.358 3.176 20 0 BGADHN CCC[C@H](C)c1noc([C@H]2CC[C@H](C3CC3)N2)n1 ZINC000844909569 588219241 /nfs/dbraw/zinc/21/92/41/588219241.db2.gz NNRUMQLMODGTCZ-MVWJERBFSA-N 0 3 249.358 3.176 20 0 BGADHN CCC[C@H](C)c1noc([C@@H]2CC[C@H](C3CC3)N2)n1 ZINC000844909571 588219118 /nfs/dbraw/zinc/21/91/18/588219118.db2.gz NNRUMQLMODGTCZ-WCQGTBRESA-N 0 3 249.358 3.176 20 0 BGADHN CCC[C@H](C)c1noc([C@H]2CC[C@@H](C3CC3)N2)n1 ZINC000844909572 588219366 /nfs/dbraw/zinc/21/93/66/588219366.db2.gz NNRUMQLMODGTCZ-ZMLRMANQSA-N 0 3 249.358 3.176 20 0 BGADHN CCC(CC)c1noc([C@@H]2CC[C@H](C3CC3)N2)n1 ZINC000844910556 588219190 /nfs/dbraw/zinc/21/91/90/588219190.db2.gz VUQVXHMUOSJPTQ-NEPJUHHUSA-N 0 3 249.358 3.176 20 0 BGADHN CCC(CC)c1noc([C@H]2CC[C@@H](C3CC3)N2)n1 ZINC000844910558 588219245 /nfs/dbraw/zinc/21/92/45/588219245.db2.gz VUQVXHMUOSJPTQ-NWDGAFQWSA-N 0 3 249.358 3.176 20 0 BGADHN CCC(CC)c1noc([C@@H]2CC[C@@H](C3CC3)N2)n1 ZINC000844910559 588219149 /nfs/dbraw/zinc/21/91/49/588219149.db2.gz VUQVXHMUOSJPTQ-RYUDHWBXSA-N 0 3 249.358 3.176 20 0 BGADHN CCC(CC)c1noc([C@H]2CC[C@H](C3CC3)N2)n1 ZINC000844910561 588219236 /nfs/dbraw/zinc/21/92/36/588219236.db2.gz VUQVXHMUOSJPTQ-VXGBXAGGSA-N 0 3 249.358 3.176 20 0 BGADHN CC[C@]1(C)CCC[C@@H]1NCc1cccc(F)n1 ZINC000845945883 588251196 /nfs/dbraw/zinc/25/11/96/588251196.db2.gz NVDXLZCZJNTIEJ-GXTWGEPZSA-N 0 3 236.334 3.279 20 0 BGADHN CC[C@@]1(C)CCC[C@@H]1NCc1cccc(F)n1 ZINC000845945884 588251296 /nfs/dbraw/zinc/25/12/96/588251296.db2.gz NVDXLZCZJNTIEJ-JSGCOSHPSA-N 0 3 236.334 3.279 20 0 BGADHN CC[C@@]1(C)CCC[C@H]1NCc1cccc(F)n1 ZINC000845945885 588251194 /nfs/dbraw/zinc/25/11/94/588251194.db2.gz NVDXLZCZJNTIEJ-OCCSQVGLSA-N 0 3 236.334 3.279 20 0 BGADHN CC[C@]1(C)CCC[C@H]1NCc1cccc(F)n1 ZINC000845945886 588251231 /nfs/dbraw/zinc/25/12/31/588251231.db2.gz NVDXLZCZJNTIEJ-TZMCWYRMSA-N 0 3 236.334 3.279 20 0 BGADHN CCc1cccc(CN[C@H](C)c2ccc[nH]2)c1 ZINC000845947434 588251352 /nfs/dbraw/zinc/25/13/52/588251352.db2.gz LLDABUAPRKFUKQ-GFCCVEGCSA-N 0 3 228.339 3.428 20 0 BGADHN CCc1cccc(CN[C@@H](C)c2ccc[nH]2)c1 ZINC000845947445 588251160 /nfs/dbraw/zinc/25/11/60/588251160.db2.gz LLDABUAPRKFUKQ-LBPRGKRZSA-N 0 3 228.339 3.428 20 0 BGADHN C[C@@H](NCc1cccc2c1CCC2)c1ccc[nH]1 ZINC000845948448 588251286 /nfs/dbraw/zinc/25/12/86/588251286.db2.gz VHSGDXJKTWTBEV-GFCCVEGCSA-N 0 3 240.350 3.354 20 0 BGADHN C[C@H](NCc1cccc2c1CCC2)c1ccc[nH]1 ZINC000845948450 588251131 /nfs/dbraw/zinc/25/11/31/588251131.db2.gz VHSGDXJKTWTBEV-LBPRGKRZSA-N 0 3 240.350 3.354 20 0 BGADHN C[C@H]1CCCCC[C@@H]1NCc1cccnc1F ZINC000845965956 588252158 /nfs/dbraw/zinc/25/21/58/588252158.db2.gz WHXZPHNABPHCME-AAEUAGOBSA-N 0 3 236.334 3.279 20 0 BGADHN C[C@@H]1CCCCC[C@H]1NCc1cccnc1F ZINC000845965957 588251921 /nfs/dbraw/zinc/25/19/21/588251921.db2.gz WHXZPHNABPHCME-DGCLKSJQSA-N 0 3 236.334 3.279 20 0 BGADHN C[C@H]1CCCCC[C@H]1NCc1cccnc1F ZINC000845965958 588252132 /nfs/dbraw/zinc/25/21/32/588252132.db2.gz WHXZPHNABPHCME-WCQYABFASA-N 0 3 236.334 3.279 20 0 BGADHN C[C@@H]1CCCCC[C@@H]1NCc1cccnc1F ZINC000845965959 588252086 /nfs/dbraw/zinc/25/20/86/588252086.db2.gz WHXZPHNABPHCME-YPMHNXCESA-N 0 3 236.334 3.279 20 0 BGADHN CC[C@]1(C)CCC[C@@H]1NCc1cccnc1F ZINC000845965976 588251903 /nfs/dbraw/zinc/25/19/03/588251903.db2.gz XLJDGGHCDLZAJN-GXTWGEPZSA-N 0 3 236.334 3.279 20 0 BGADHN CC[C@@]1(C)CCC[C@@H]1NCc1cccnc1F ZINC000845965977 588252056 /nfs/dbraw/zinc/25/20/56/588252056.db2.gz XLJDGGHCDLZAJN-JSGCOSHPSA-N 0 3 236.334 3.279 20 0 BGADHN CC[C@@]1(C)CCC[C@H]1NCc1cccnc1F ZINC000845965978 588251966 /nfs/dbraw/zinc/25/19/66/588251966.db2.gz XLJDGGHCDLZAJN-OCCSQVGLSA-N 0 3 236.334 3.279 20 0 BGADHN CC[C@]1(C)CCC[C@H]1NCc1cccnc1F ZINC000845965979 588251916 /nfs/dbraw/zinc/25/19/16/588251916.db2.gz XLJDGGHCDLZAJN-TZMCWYRMSA-N 0 3 236.334 3.279 20 0 BGADHN CC1(C)CC[C@H]1NCc1cc2cnccc2o1 ZINC000845969839 588252058 /nfs/dbraw/zinc/25/20/58/588252058.db2.gz HPPKRJWZAWSPJW-CYBMUJFWSA-N 0 3 230.311 3.106 20 0 BGADHN CC1(C)CC[C@@H]1NCc1cc2cnccc2o1 ZINC000845969840 588252090 /nfs/dbraw/zinc/25/20/90/588252090.db2.gz HPPKRJWZAWSPJW-ZDUSSCGKSA-N 0 3 230.311 3.106 20 0 BGADHN CC1(C)C(NCc2cc3cnccc3o2)C1(C)C ZINC000845972523 588252348 /nfs/dbraw/zinc/25/23/48/588252348.db2.gz RFSXENMVYZCGTM-UHFFFAOYSA-N 0 3 244.338 3.352 20 0 BGADHN CCc1nc(CN[C@H]2CCC[C@@]2(C)CC)co1 ZINC000845975115 588252202 /nfs/dbraw/zinc/25/22/02/588252202.db2.gz FLZYRPGLUFZOHV-GXTWGEPZSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1nc(CN[C@H]2CCC[C@]2(C)CC)co1 ZINC000845975116 588252270 /nfs/dbraw/zinc/25/22/70/588252270.db2.gz FLZYRPGLUFZOHV-JSGCOSHPSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1nc(CN[C@@H]2CCC[C@]2(C)CC)co1 ZINC000845975117 588252487 /nfs/dbraw/zinc/25/24/87/588252487.db2.gz FLZYRPGLUFZOHV-OCCSQVGLSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1nc(CN[C@@H]2CCC[C@@]2(C)CC)co1 ZINC000845975118 588252396 /nfs/dbraw/zinc/25/23/96/588252396.db2.gz FLZYRPGLUFZOHV-TZMCWYRMSA-N 0 3 236.359 3.295 20 0 BGADHN Cc1nc(F)ccc1CN1CCC12CCCC2 ZINC000845998956 588253030 /nfs/dbraw/zinc/25/30/30/588253030.db2.gz FQACFPQAGJEBIJ-UHFFFAOYSA-N 0 3 234.318 3.048 20 0 BGADHN Cc1cc(CN2CCC23CCCC3)c(C)o1 ZINC000845999471 588253187 /nfs/dbraw/zinc/25/31/87/588253187.db2.gz JVKJOZGMENSILA-UHFFFAOYSA-N 0 3 219.328 3.415 20 0 BGADHN Cc1ncc(CN[C@@H]2C[C@H]2CC(C)(C)C)s1 ZINC000846025393 588254020 /nfs/dbraw/zinc/25/40/20/588254020.db2.gz FNINWBXMCUGZDJ-CMPLNLGQSA-N 0 3 238.400 3.366 20 0 BGADHN CC(C)(C)C[C@@H]1C[C@H]1NCc1ccc(F)nc1 ZINC000846025594 588254092 /nfs/dbraw/zinc/25/40/92/588254092.db2.gz JZNBITKVDQWUFC-NWDGAFQWSA-N 0 3 236.334 3.135 20 0 BGADHN Cc1ccc(CN[C@@H]2C[C@H]2CC(C)(C)C)cn1 ZINC000846026221 588254088 /nfs/dbraw/zinc/25/40/88/588254088.db2.gz SAWGCDNAGCUDJF-UONOGXRCSA-N 0 3 232.371 3.304 20 0 BGADHN CC(C)(C)C[C@@H]1C[C@H]1NCc1ccoc1 ZINC000846026933 588254056 /nfs/dbraw/zinc/25/40/56/588254056.db2.gz XMSNVRNHUNMOGO-NWDGAFQWSA-N 0 3 207.317 3.194 20 0 BGADHN C[C@@]1(CCNCc2ccco2)C[C@]1(F)Cl ZINC000846035670 588254375 /nfs/dbraw/zinc/25/43/75/588254375.db2.gz KPRAAOOEGVISMO-GHMZBOCLSA-N 0 3 231.698 3.074 20 0 BGADHN C[C@@]1(CCNCc2ccco2)C[C@@]1(F)Cl ZINC000846035671 588254470 /nfs/dbraw/zinc/25/44/70/588254470.db2.gz KPRAAOOEGVISMO-MNOVXSKESA-N 0 3 231.698 3.074 20 0 BGADHN C[C@]1(CCNCc2ccco2)C[C@@]1(F)Cl ZINC000846035673 588254491 /nfs/dbraw/zinc/25/44/91/588254491.db2.gz KPRAAOOEGVISMO-QWRGUYRKSA-N 0 3 231.698 3.074 20 0 BGADHN C[C@]1(CCNCc2ccco2)C[C@]1(F)Cl ZINC000846035674 588254533 /nfs/dbraw/zinc/25/45/33/588254533.db2.gz KPRAAOOEGVISMO-WDEREUQCSA-N 0 3 231.698 3.074 20 0 BGADHN Cc1ccc(CNCC[C@]2(C)C[C@@]2(F)Cl)o1 ZINC000846037372 588254324 /nfs/dbraw/zinc/25/43/24/588254324.db2.gz OLAVBPQAWYLRGF-NEPJUHHUSA-N 0 3 245.725 3.382 20 0 BGADHN CCc1cccc(CNCc2ccc(F)nc2)c1 ZINC000846101030 588256788 /nfs/dbraw/zinc/25/67/88/588256788.db2.gz WWTGHGLWYNECOA-UHFFFAOYSA-N 0 3 244.313 3.073 20 0 BGADHN ClC1(Cl)C[C@@H]1CCCNCc1ccoc1 ZINC000846101640 588256806 /nfs/dbraw/zinc/25/68/06/588256806.db2.gz FYAMOPOOWMXRHH-JTQLQIEISA-N 0 3 248.153 3.343 20 0 BGADHN ClC1(Cl)C[C@H]1CCCNCc1ccoc1 ZINC000846101642 588256506 /nfs/dbraw/zinc/25/65/06/588256506.db2.gz FYAMOPOOWMXRHH-SNVBAGLBSA-N 0 3 248.153 3.343 20 0 BGADHN ClC1(Cl)C[C@H]1CCCNCc1ccco1 ZINC000846103468 588256604 /nfs/dbraw/zinc/25/66/04/588256604.db2.gz YOOFVRSXIZBSMF-SECBINFHSA-N 0 3 248.153 3.343 20 0 BGADHN ClC1(Cl)C[C@@H]1CCCNCc1ccco1 ZINC000846103469 588256620 /nfs/dbraw/zinc/25/66/20/588256620.db2.gz YOOFVRSXIZBSMF-VIFPVBQESA-N 0 3 248.153 3.343 20 0 BGADHN Cc1occc1CN1CCC[C@@]2(CC2(F)F)C1 ZINC000846104088 588256697 /nfs/dbraw/zinc/25/66/97/588256697.db2.gz DUKRMJPRBDGKIO-GFCCVEGCSA-N 0 3 241.281 3.209 20 0 BGADHN Cc1occc1CN1CCC[C@]2(CC2(F)F)C1 ZINC000846104089 588256680 /nfs/dbraw/zinc/25/66/80/588256680.db2.gz DUKRMJPRBDGKIO-LBPRGKRZSA-N 0 3 241.281 3.209 20 0 BGADHN C[C@@H](NCc1ccnc(Cl)c1F)C(C)(C)C ZINC000846106391 588256709 /nfs/dbraw/zinc/25/67/09/588256709.db2.gz HEEKXCXWLAAPAV-MRVPVSSYSA-N 0 3 244.741 3.398 20 0 BGADHN Cc1ccc(CN2CCC[C@@]3(CC3(F)F)C2)o1 ZINC000846106541 588256791 /nfs/dbraw/zinc/25/67/91/588256791.db2.gz CDLRGYCFCLANDD-GFCCVEGCSA-N 0 3 241.281 3.209 20 0 BGADHN Cc1ccc(CN2CCC[C@]3(CC3(F)F)C2)o1 ZINC000846106542 588256941 /nfs/dbraw/zinc/25/69/41/588256941.db2.gz CDLRGYCFCLANDD-LBPRGKRZSA-N 0 3 241.281 3.209 20 0 BGADHN FC1(F)C[C@@]12CCCN(Cc1ccsc1)C2 ZINC000846107133 588257036 /nfs/dbraw/zinc/25/70/36/588257036.db2.gz FUKFOQAXIBZXFR-LLVKDONJSA-N 0 3 243.322 3.369 20 0 BGADHN FC1(F)C[C@]12CCCN(Cc1ccsc1)C2 ZINC000846107134 588257070 /nfs/dbraw/zinc/25/70/70/588257070.db2.gz FUKFOQAXIBZXFR-NSHDSACASA-N 0 3 243.322 3.369 20 0 BGADHN Clc1ncccc1CNC1CC2(CCC2)C1 ZINC000846107611 588256921 /nfs/dbraw/zinc/25/69/21/588256921.db2.gz WSVIJRAPVCXVBE-UHFFFAOYSA-N 0 3 236.746 3.157 20 0 BGADHN Cc1ccoc1CN1CCC[C@@]2(CC2(F)F)C1 ZINC000846107757 588257001 /nfs/dbraw/zinc/25/70/01/588257001.db2.gz KIIMFVNBOXBPLR-GFCCVEGCSA-N 0 3 241.281 3.209 20 0 BGADHN Cc1ccoc1CN1CCC[C@]2(CC2(F)F)C1 ZINC000846107758 588257087 /nfs/dbraw/zinc/25/70/87/588257087.db2.gz KIIMFVNBOXBPLR-LBPRGKRZSA-N 0 3 241.281 3.209 20 0 BGADHN Cc1cccc(CN2C[C@H]3[C@@H](C2)C3(F)F)c1C ZINC000846109980 588256997 /nfs/dbraw/zinc/25/69/97/588256997.db2.gz GTDONDMLNLQSPR-BETUJISGSA-N 0 3 237.293 3.000 20 0 BGADHN FC1(F)[C@H]2CN(Cc3ccccc3C3CC3)C[C@H]21 ZINC000846110944 588257210 /nfs/dbraw/zinc/25/72/10/588257210.db2.gz JBIFVEFCUPXNNR-OKILXGFUSA-N 0 3 249.304 3.261 20 0 BGADHN C/C(=C/c1ccccc1)CN1C[C@H]2[C@@H](C1)C2(F)F ZINC000846111018 588257182 /nfs/dbraw/zinc/25/71/82/588257182.db2.gz JVEYDNXSHZQTCI-CNBFPTSASA-N 0 3 249.304 3.287 20 0 BGADHN C/C(=C\c1ccccc1)CN1C[C@H]2[C@@H](C1)C2(F)F ZINC000846111020 588257204 /nfs/dbraw/zinc/25/72/04/588257204.db2.gz JVEYDNXSHZQTCI-KYNDXDRPSA-N 0 3 249.304 3.287 20 0 BGADHN CCc1ccc(CN2C[C@H]3[C@@H](C2)C3(F)F)s1 ZINC000846112231 588257301 /nfs/dbraw/zinc/25/73/01/588257301.db2.gz QPJAZZOMNWHWPG-PHIMTYICSA-N 0 3 243.322 3.007 20 0 BGADHN FC1(F)[C@H]2CN(Cc3coc4ccccc34)C[C@H]21 ZINC000846113365 588257550 /nfs/dbraw/zinc/25/75/50/588257550.db2.gz XHPQXCIMRSNXGS-TXEJJXNPSA-N 0 3 249.260 3.130 20 0 BGADHN FC1(F)[C@H]2CN(Cc3cccc(C4CC4)c3)C[C@H]21 ZINC000846113767 588257628 /nfs/dbraw/zinc/25/76/28/588257628.db2.gz PMNWGQCAEKEDIF-OKILXGFUSA-N 0 3 249.304 3.261 20 0 BGADHN FC1(F)[C@H]2CN(Cc3ccc(C4CC4)cc3)C[C@H]21 ZINC000846113824 588257489 /nfs/dbraw/zinc/25/74/89/588257489.db2.gz QNDGFOZFLPPJGK-OKILXGFUSA-N 0 3 249.304 3.261 20 0 BGADHN Cc1cc(CN2CC[C@@]3(CC3(F)F)C2)c(C)o1 ZINC000846118139 588257748 /nfs/dbraw/zinc/25/77/48/588257748.db2.gz UDXCFWNIMNFUPX-GFCCVEGCSA-N 0 3 241.281 3.128 20 0 BGADHN Cc1cc(CN2CC[C@]3(CC3(F)F)C2)c(C)o1 ZINC000846118140 588257931 /nfs/dbraw/zinc/25/79/31/588257931.db2.gz UDXCFWNIMNFUPX-LBPRGKRZSA-N 0 3 241.281 3.128 20 0 BGADHN Cc1cc([C@@H](C)N[C@@H]2C[C@H]2CC(C)(C)C)n(C)n1 ZINC000846186380 588259597 /nfs/dbraw/zinc/25/95/97/588259597.db2.gz BGWPOTOYVNALDQ-FRRDWIJNSA-N 0 3 249.402 3.204 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2C[C@H]2CC(C)(C)C)n(C)n1 ZINC000846186381 588259549 /nfs/dbraw/zinc/25/95/49/588259549.db2.gz BGWPOTOYVNALDQ-RWMBFGLXSA-N 0 3 249.402 3.204 20 0 BGADHN CC(C)(C)C[C@@H]1C[C@H]1N[C@H]1CCCc2n[nH]cc21 ZINC000846189815 588259419 /nfs/dbraw/zinc/25/94/19/588259419.db2.gz NDVBJZHIOHAFGZ-VHRBIJSZSA-N 0 3 247.386 3.201 20 0 BGADHN CC(C)(C)C[C@@H]1C[C@H]1N[C@@H]1CCCc2n[nH]cc21 ZINC000846189816 588259398 /nfs/dbraw/zinc/25/93/98/588259398.db2.gz NDVBJZHIOHAFGZ-ZKYQVNSYSA-N 0 3 247.386 3.201 20 0 BGADHN Cc1cc(F)ccc1[C@H](C)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000846191191 588259850 /nfs/dbraw/zinc/25/98/50/588259850.db2.gz UPTUYUJGCZKSQS-BTQDYEIMSA-N 0 3 249.329 3.105 20 0 BGADHN Cc1cc(F)ccc1[C@@H](C)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000846191192 588259621 /nfs/dbraw/zinc/25/96/21/588259621.db2.gz UPTUYUJGCZKSQS-LTZCYQRMSA-N 0 3 249.329 3.105 20 0 BGADHN CCCCN(C)Cc1cnc(Cl)c(F)c1 ZINC000846761653 588286536 /nfs/dbraw/zinc/28/65/36/588286536.db2.gz DIDKVWQXNMCVOZ-UHFFFAOYSA-N 0 3 230.714 3.106 20 0 BGADHN CCCCN(CC)Cc1cnc(Cl)c(F)c1 ZINC000846764708 588286558 /nfs/dbraw/zinc/28/65/58/588286558.db2.gz VUALXDAVLXDPQP-UHFFFAOYSA-N 0 3 244.741 3.496 20 0 BGADHN CCCCN(CC)CC1(Br)CC1 ZINC000846764959 588286568 /nfs/dbraw/zinc/28/65/68/588286568.db2.gz WKWGPJNEGDIIBK-UHFFFAOYSA-N 0 3 234.181 3.036 20 0 BGADHN CN(Cc1cnc(Cl)c(F)c1)C1CCCC1 ZINC000846766744 588286718 /nfs/dbraw/zinc/28/67/18/588286718.db2.gz JPDXJZMUHCTRLE-UHFFFAOYSA-N 0 3 242.725 3.249 20 0 BGADHN CC[C@H]1CCCN(CC2(Br)CC2)C1 ZINC000846767977 588286974 /nfs/dbraw/zinc/28/69/74/588286974.db2.gz UBNJWWVKXGOVSV-JTQLQIEISA-N 0 3 246.192 3.036 20 0 BGADHN CC[C@@H]1CCCN(CC2(Br)CC2)C1 ZINC000846767978 588286817 /nfs/dbraw/zinc/28/68/17/588286817.db2.gz UBNJWWVKXGOVSV-SNVBAGLBSA-N 0 3 246.192 3.036 20 0 BGADHN CC(C)[C@@H](C)N(C)Cc1cnc(Cl)c(F)c1 ZINC000846768063 588286918 /nfs/dbraw/zinc/28/69/18/588286918.db2.gz WGXVCLRKDZJVMD-SECBINFHSA-N 0 3 244.741 3.350 20 0 BGADHN CN(CC1(Br)CC1)C1CCCCC1 ZINC000846768078 588286876 /nfs/dbraw/zinc/28/68/76/588286876.db2.gz ARSRKTCMDCRISU-UHFFFAOYSA-N 0 3 246.192 3.178 20 0 BGADHN CC(C)[C@H](C)N(C)Cc1cnc(Cl)c(F)c1 ZINC000846768164 588285839 /nfs/dbraw/zinc/28/58/39/588285839.db2.gz WGXVCLRKDZJVMD-VIFPVBQESA-N 0 3 244.741 3.350 20 0 BGADHN CC[C@H]1CCCCN1CC1(Br)CC1 ZINC000846769039 588287105 /nfs/dbraw/zinc/28/71/05/588287105.db2.gz UYOVXIDRLRNDJU-JTQLQIEISA-N 0 3 246.192 3.178 20 0 BGADHN CC[C@@H]1CCCCN1CC1(Br)CC1 ZINC000846769040 588286983 /nfs/dbraw/zinc/28/69/83/588286983.db2.gz UYOVXIDRLRNDJU-SNVBAGLBSA-N 0 3 246.192 3.178 20 0 BGADHN CCC[C@@H](C)N(C)CC1(Br)CC1 ZINC000846769505 588286979 /nfs/dbraw/zinc/28/69/79/588286979.db2.gz LWOJMYXOKLGISS-SECBINFHSA-N 0 3 234.181 3.034 20 0 BGADHN CCC[C@H](C)N(C)CC1(Br)CC1 ZINC000846769507 588287125 /nfs/dbraw/zinc/28/71/25/588287125.db2.gz LWOJMYXOKLGISS-VIFPVBQESA-N 0 3 234.181 3.034 20 0 BGADHN C[C@@H](N(C)CC1(Br)CC1)C(C)(C)C ZINC000846769964 588287093 /nfs/dbraw/zinc/28/70/93/588287093.db2.gz RFCCPSQSIJPDAX-SECBINFHSA-N 0 3 248.208 3.280 20 0 BGADHN C[C@H](N(C)CC1(Br)CC1)C(C)(C)C ZINC000846769975 588286784 /nfs/dbraw/zinc/28/67/84/588286784.db2.gz RFCCPSQSIJPDAX-VIFPVBQESA-N 0 3 248.208 3.280 20 0 BGADHN CC(C)CN(CC1(Br)CC1)C1CC1 ZINC000846770236 588287054 /nfs/dbraw/zinc/28/70/54/588287054.db2.gz UCIICZVPLDZUNY-UHFFFAOYSA-N 0 3 246.192 3.034 20 0 BGADHN CCC[C@@H](C)N(C)Cc1cnc(Cl)c(F)c1 ZINC000846770697 588287234 /nfs/dbraw/zinc/28/72/34/588287234.db2.gz WLVPARRYWKMPMI-SECBINFHSA-N 0 3 244.741 3.495 20 0 BGADHN CCC[C@H](C)N(C)Cc1cnc(Cl)c(F)c1 ZINC000846770698 588287396 /nfs/dbraw/zinc/28/73/96/588287396.db2.gz WLVPARRYWKMPMI-VIFPVBQESA-N 0 3 244.741 3.495 20 0 BGADHN CCN(Cc1cnc(Cl)c(F)c1)CC(C)C ZINC000846770755 588287262 /nfs/dbraw/zinc/28/72/62/588287262.db2.gz XCONWXVJCIXPGP-UHFFFAOYSA-N 0 3 244.741 3.352 20 0 BGADHN C[C@H](C1CC1)N(C)Cc1cnc(Cl)c(F)c1 ZINC000846771059 588287477 /nfs/dbraw/zinc/28/74/77/588287477.db2.gz OLXJHJZNJFDMKA-MRVPVSSYSA-N 0 3 242.725 3.104 20 0 BGADHN C[C@@H](C1CC1)N(C)Cc1cnc(Cl)c(F)c1 ZINC000846771063 588287410 /nfs/dbraw/zinc/28/74/10/588287410.db2.gz OLXJHJZNJFDMKA-QMMMGPOBSA-N 0 3 242.725 3.104 20 0 BGADHN CCCCN(CC1(Br)CC1)C1CC1 ZINC000846771439 588284097 /nfs/dbraw/zinc/28/40/97/588284097.db2.gz JRIVRRIDARRVCU-UHFFFAOYSA-N 0 3 246.192 3.178 20 0 BGADHN CCCN(CCC)Cc1cnc(Cl)c(F)c1 ZINC000846771460 588287203 /nfs/dbraw/zinc/28/72/03/588287203.db2.gz JVYGRLGSHNETTP-UHFFFAOYSA-N 0 3 244.741 3.496 20 0 BGADHN CC(C)N(Cc1cnc(Cl)c(F)c1)C1CC1 ZINC000846773294 588287265 /nfs/dbraw/zinc/28/72/65/588287265.db2.gz FXYUUQJPYSGLLP-UHFFFAOYSA-N 0 3 242.725 3.247 20 0 BGADHN CCCN(CCC)CC1(Br)CC1 ZINC000846773452 588287229 /nfs/dbraw/zinc/28/72/29/588287229.db2.gz YOJAKWQFVAGIFW-UHFFFAOYSA-N 0 3 234.181 3.036 20 0 BGADHN CC(C)CCN(C)Cc1cnc(Cl)c(F)c1 ZINC000846775728 588287771 /nfs/dbraw/zinc/28/77/71/588287771.db2.gz BOQOGHHXAGUECH-UHFFFAOYSA-N 0 3 244.741 3.352 20 0 BGADHN CCC1CCN(CC2(Br)CC2)CC1 ZINC000846776127 588287595 /nfs/dbraw/zinc/28/75/95/588287595.db2.gz KQYNNCYMXRYXRJ-UHFFFAOYSA-N 0 3 246.192 3.036 20 0 BGADHN CC(C)c1ccccc1CNc1nccn1C ZINC000846776896 588287681 /nfs/dbraw/zinc/28/76/81/588287681.db2.gz ITIVBJWOHRJEOU-UHFFFAOYSA-N 0 3 229.327 3.156 20 0 BGADHN CCN(Cc1cnc(Cl)c(F)c1)C(C)C ZINC000846777048 588287704 /nfs/dbraw/zinc/28/77/04/588287704.db2.gz CNWGEFIESLDYGM-UHFFFAOYSA-N 0 3 230.714 3.104 20 0 BGADHN Cc1ccncc1-c1ccc(CN(C)C)cc1 ZINC000846779298 588287621 /nfs/dbraw/zinc/28/76/21/588287621.db2.gz LBWICSIRTISMEH-UHFFFAOYSA-N 0 3 226.323 3.119 20 0 BGADHN Cc1ncc(-c2ccc(CN(C)C)cc2)s1 ZINC000846779808 588288158 /nfs/dbraw/zinc/28/81/58/588288158.db2.gz PUFKMXRRYVNGSX-UHFFFAOYSA-N 0 3 232.352 3.180 20 0 BGADHN Cc1cnc(-c2ccc(CN(C)C)cc2)c(C)c1 ZINC000846779832 588288027 /nfs/dbraw/zinc/28/80/27/588288027.db2.gz QCCKQAAJQAIVSD-UHFFFAOYSA-N 0 3 240.350 3.427 20 0 BGADHN Cc1noc(C)c1-c1ccc(CN(C)C)cc1 ZINC000846780234 588287912 /nfs/dbraw/zinc/28/79/12/588287912.db2.gz RREOLVMJORXDPW-UHFFFAOYSA-N 0 3 230.311 3.020 20 0 BGADHN CCc1cccc(-c2ccc(CN(C)C)cc2)n1 ZINC000846780246 588287893 /nfs/dbraw/zinc/28/78/93/588287893.db2.gz SDNJNUGQLMPQLE-UHFFFAOYSA-N 0 3 240.350 3.373 20 0 BGADHN C[C@H]1CCCN(CC2(Br)CC2)CC1 ZINC000846780719 588288133 /nfs/dbraw/zinc/28/81/33/588288133.db2.gz DRODCEZVVFCZQS-JTQLQIEISA-N 0 3 246.192 3.036 20 0 BGADHN C[C@@H]1CCCN(CC2(Br)CC2)CC1 ZINC000846780720 588287954 /nfs/dbraw/zinc/28/79/54/588287954.db2.gz DRODCEZVVFCZQS-SNVBAGLBSA-N 0 3 246.192 3.036 20 0 BGADHN Cc1ccc(-c2ccc(CN(C)C)cc2)nc1 ZINC000846780981 588288115 /nfs/dbraw/zinc/28/81/15/588288115.db2.gz XPWDAGZHLAVDQC-UHFFFAOYSA-N 0 3 226.323 3.119 20 0 BGADHN CCCN(CC)Cc1cnc(Cl)c(F)c1 ZINC000846782802 588288170 /nfs/dbraw/zinc/28/81/70/588288170.db2.gz UJGNBTWLGXFOPI-UHFFFAOYSA-N 0 3 230.714 3.106 20 0 BGADHN CN(CC1CCCC1)CC1(Br)CC1 ZINC000846792320 588288202 /nfs/dbraw/zinc/28/82/02/588288202.db2.gz USLZWAIUOJJWRG-UHFFFAOYSA-N 0 3 246.192 3.036 20 0 BGADHN CN(Cc1cnc(Cl)c(F)c1)CC(C)(C)C ZINC000846795050 588288840 /nfs/dbraw/zinc/28/88/40/588288840.db2.gz GSQVOLZXAKIUPH-UHFFFAOYSA-N 0 3 244.741 3.352 20 0 BGADHN CC1(C)CCN(CC2(Br)CC2)CC1 ZINC000846795520 588288721 /nfs/dbraw/zinc/28/87/21/588288721.db2.gz QSHWGXVGXNYEKW-UHFFFAOYSA-N 0 3 246.192 3.036 20 0 BGADHN CCCN(Cc1cnc(Cl)c(F)c1)C1CC1 ZINC000846797909 588288999 /nfs/dbraw/zinc/28/89/99/588288999.db2.gz FLCIMPPRWMMRDI-UHFFFAOYSA-N 0 3 242.725 3.249 20 0 BGADHN C[C@@H]1CCC[C@H](C)N1CC1(Br)CC1 ZINC000846803816 588289114 /nfs/dbraw/zinc/28/91/14/588289114.db2.gz TXOULKRJILJVIC-AOOOYVTPSA-N 0 3 246.192 3.177 20 0 BGADHN C[C@@H]1CCC[C@@H](C)N1CC1(Br)CC1 ZINC000846803817 588289190 /nfs/dbraw/zinc/28/91/90/588289190.db2.gz TXOULKRJILJVIC-NXEZZACHSA-N 0 3 246.192 3.177 20 0 BGADHN C[C@H]1CCC[C@H](C)N1CC1(Br)CC1 ZINC000846803818 588289157 /nfs/dbraw/zinc/28/91/57/588289157.db2.gz TXOULKRJILJVIC-UWVGGRQHSA-N 0 3 246.192 3.177 20 0 BGADHN CC[C@@H](C)CN(C)Cc1cnc(Cl)c(F)c1 ZINC000846804019 588289416 /nfs/dbraw/zinc/28/94/16/588289416.db2.gz WPAGDFOHCZIOHY-SECBINFHSA-N 0 3 244.741 3.352 20 0 BGADHN CC[C@H](C)CN(C)Cc1cnc(Cl)c(F)c1 ZINC000846804020 588289602 /nfs/dbraw/zinc/28/96/02/588289602.db2.gz WPAGDFOHCZIOHY-VIFPVBQESA-N 0 3 244.741 3.352 20 0 BGADHN CC1(C)CCCN(CC2(Br)CC2)C1 ZINC000846804467 588289410 /nfs/dbraw/zinc/28/94/10/588289410.db2.gz KXKPCCLLNOSJOD-UHFFFAOYSA-N 0 3 246.192 3.036 20 0 BGADHN CCN(Cc1cnc(Cl)c(F)c1)CC1CC1 ZINC000846804987 588289427 /nfs/dbraw/zinc/28/94/27/588289427.db2.gz RLYRIMAVESNEDR-UHFFFAOYSA-N 0 3 242.725 3.106 20 0 BGADHN C[C@@H]1CCCN(CC2(Br)CC2)[C@@H]1C ZINC000846807538 588290143 /nfs/dbraw/zinc/29/01/43/588290143.db2.gz WFSIXYJNHURGQU-NXEZZACHSA-N 0 3 246.192 3.034 20 0 BGADHN C[C@H]1CCCN(CC2(Br)CC2)[C@H]1C ZINC000846807539 588289965 /nfs/dbraw/zinc/28/99/65/588289965.db2.gz WFSIXYJNHURGQU-UWVGGRQHSA-N 0 3 246.192 3.034 20 0 BGADHN C[C@@H]1[C@@H](C)CCCN1CC1(Br)CC1 ZINC000846807540 588289984 /nfs/dbraw/zinc/28/99/84/588289984.db2.gz WFSIXYJNHURGQU-VHSXEESVSA-N 0 3 246.192 3.034 20 0 BGADHN C[C@@H]1CCCN(CC2(Br)CC2)[C@H]1C ZINC000846807541 588289853 /nfs/dbraw/zinc/28/98/53/588289853.db2.gz WFSIXYJNHURGQU-ZJUUUORDSA-N 0 3 246.192 3.034 20 0 BGADHN CCN(Cc1cnc(Cl)c(F)c1)C1CCC1 ZINC000846808601 588290191 /nfs/dbraw/zinc/29/01/91/588290191.db2.gz ZDQYIOPFPPLPQX-UHFFFAOYSA-N 0 3 242.725 3.249 20 0 BGADHN C[C@@H]1CC[C@@H](C)N(CC2(Br)CC2)C1 ZINC000846808904 588289945 /nfs/dbraw/zinc/28/99/45/588289945.db2.gz USPUWQGTQRCZTD-NXEZZACHSA-N 0 3 246.192 3.034 20 0 BGADHN C[C@H]1CC[C@H](C)N(CC2(Br)CC2)C1 ZINC000846808905 588289915 /nfs/dbraw/zinc/28/99/15/588289915.db2.gz USPUWQGTQRCZTD-UWVGGRQHSA-N 0 3 246.192 3.034 20 0 BGADHN C[C@@H]1CC[C@H](C)CN1CC1(Br)CC1 ZINC000846808906 588290225 /nfs/dbraw/zinc/29/02/25/588290225.db2.gz USPUWQGTQRCZTD-VHSXEESVSA-N 0 3 246.192 3.034 20 0 BGADHN C[C@@H]1CC[C@H](C)N(CC2(Br)CC2)C1 ZINC000846808907 588289981 /nfs/dbraw/zinc/28/99/81/588289981.db2.gz USPUWQGTQRCZTD-ZJUUUORDSA-N 0 3 246.192 3.034 20 0 BGADHN CC[C@@]1(C)CCN(CC2(Br)CC2)C1 ZINC000846814277 588290809 /nfs/dbraw/zinc/29/08/09/588290809.db2.gz ANSNDJCMAOMBMG-JTQLQIEISA-N 0 3 246.192 3.036 20 0 BGADHN CC[C@]1(C)CCN(CC2(Br)CC2)C1 ZINC000846814280 588288087 /nfs/dbraw/zinc/28/80/87/588288087.db2.gz ANSNDJCMAOMBMG-SNVBAGLBSA-N 0 3 246.192 3.036 20 0 BGADHN C[C@@H](N(C)CC1(Br)CC1)C1(C)CC1 ZINC000846814635 588290948 /nfs/dbraw/zinc/29/09/48/588290948.db2.gz SWABVLJCIOFECM-SECBINFHSA-N 0 3 246.192 3.034 20 0 BGADHN C[C@H](N(C)CC1(Br)CC1)C1(C)CC1 ZINC000846814637 588290769 /nfs/dbraw/zinc/29/07/69/588290769.db2.gz SWABVLJCIOFECM-VIFPVBQESA-N 0 3 246.192 3.034 20 0 BGADHN CC[C@@H](C)N(C)Cc1cnc(Cl)c(F)c1 ZINC000846822792 588291166 /nfs/dbraw/zinc/29/11/66/588291166.db2.gz PAQYDQWMWISWPA-MRVPVSSYSA-N 0 3 230.714 3.104 20 0 BGADHN CC[C@H](C)N(C)Cc1cnc(Cl)c(F)c1 ZINC000846822793 588291277 /nfs/dbraw/zinc/29/12/77/588291277.db2.gz PAQYDQWMWISWPA-QMMMGPOBSA-N 0 3 230.714 3.104 20 0 BGADHN CCC(C)(C)N(C)CC1(Br)CC1 ZINC000846826312 588291190 /nfs/dbraw/zinc/29/11/90/588291190.db2.gz NZIXZZLZYOBMDQ-UHFFFAOYSA-N 0 3 234.181 3.034 20 0 BGADHN CC(C)N(CC1(Br)CC1)C1CCC1 ZINC000846826320 588291121 /nfs/dbraw/zinc/29/11/21/588291121.db2.gz RQHBFKNQQKXHSY-UHFFFAOYSA-N 0 3 246.192 3.177 20 0 BGADHN CCC(C)(C)N(C)Cc1cnc(Cl)c(F)c1 ZINC000846828079 588291637 /nfs/dbraw/zinc/29/16/37/588291637.db2.gz ZSTSRSFIHDUKDX-UHFFFAOYSA-N 0 3 244.741 3.495 20 0 BGADHN CN(CCC1CC1)Cc1cnc(Cl)c(F)c1 ZINC000846831457 588291481 /nfs/dbraw/zinc/29/14/81/588291481.db2.gz IXJGLXDBYMMISZ-UHFFFAOYSA-N 0 3 242.725 3.106 20 0 BGADHN COc1ccc(C(C)C)cc1CN1CC[C@H]2C[C@H]21 ZINC000846837942 588292251 /nfs/dbraw/zinc/29/22/51/588292251.db2.gz RTNUMWCIMAOMPR-DZGCQCFKSA-N 0 3 245.366 3.413 20 0 BGADHN COc1ccc(C(C)C)cc1CN1CC[C@@H]2C[C@@H]21 ZINC000846837943 588292325 /nfs/dbraw/zinc/29/23/25/588292325.db2.gz RTNUMWCIMAOMPR-HIFRSBDPSA-N 0 3 245.366 3.413 20 0 BGADHN CC(C)N(Cc1cnc(Cl)c(F)c1)C(C)C ZINC000846839684 588292410 /nfs/dbraw/zinc/29/24/10/588292410.db2.gz CNQKRJRFYPIKCV-UHFFFAOYSA-N 0 3 244.741 3.493 20 0 BGADHN CC(C)N(CC1(Br)CC1)C(C)C ZINC000846839705 588292475 /nfs/dbraw/zinc/29/24/75/588292475.db2.gz CVMVNTRKHJWDAI-UHFFFAOYSA-N 0 3 234.181 3.033 20 0 BGADHN CC(C)(CCN1CCC[C@@H]1c1ncc[nH]1)C1CC1 ZINC000846842536 588292606 /nfs/dbraw/zinc/29/26/06/588292606.db2.gz UJQQNKQSPULZKF-CYBMUJFWSA-N 0 3 247.386 3.373 20 0 BGADHN CC(C)(CCN1CCC[C@H]1c1ncc[nH]1)C1CC1 ZINC000846842537 588292650 /nfs/dbraw/zinc/29/26/50/588292650.db2.gz UJQQNKQSPULZKF-ZDUSSCGKSA-N 0 3 247.386 3.373 20 0 BGADHN CCN(CCC1CC1)CC1(Br)CC1 ZINC000846856042 588293898 /nfs/dbraw/zinc/29/38/98/588293898.db2.gz MJAXCJNKCCLCQC-UHFFFAOYSA-N 0 3 246.192 3.036 20 0 BGADHN CCN(CC1CCC1)CC1(Br)CC1 ZINC000846883637 588293067 /nfs/dbraw/zinc/29/30/67/588293067.db2.gz UCOUSSRFZJEQGI-UHFFFAOYSA-N 0 3 246.192 3.036 20 0 BGADHN CCN(CC(C)(C)C)CC1(Br)CC1 ZINC000846915849 588296367 /nfs/dbraw/zinc/29/63/67/588296367.db2.gz YXPIZZQWOBVZBQ-UHFFFAOYSA-N 0 3 248.208 3.282 20 0 BGADHN CC(C)C1(NCc2cnc(Cl)c(F)c2)CC1 ZINC000846923984 588297334 /nfs/dbraw/zinc/29/73/34/588297334.db2.gz UJUJNDBVJZDPJM-UHFFFAOYSA-N 0 3 242.725 3.152 20 0 BGADHN CCc1cccc(CN2CCC(C(C)=O)CC2)c1 ZINC000846939946 588297770 /nfs/dbraw/zinc/29/77/70/588297770.db2.gz HDEDEWNBOLQNAZ-UHFFFAOYSA-N 0 3 245.366 3.050 20 0 BGADHN CC(=O)C1CCN(Cc2ccc(C)cc2C)CC1 ZINC000846940646 588297886 /nfs/dbraw/zinc/29/78/86/588297886.db2.gz QBCDCGYPQXKIDZ-UHFFFAOYSA-N 0 3 245.366 3.104 20 0 BGADHN CCc1ccccc1CN1CCC(C(C)=O)CC1 ZINC000846945065 588298075 /nfs/dbraw/zinc/29/80/75/588298075.db2.gz WKKUHEFPERHULL-UHFFFAOYSA-N 0 3 245.366 3.050 20 0 BGADHN CC(=O)C1CCN([C@H](C)c2ccccc2C)CC1 ZINC000846947575 588298073 /nfs/dbraw/zinc/29/80/73/588298073.db2.gz FFUFSXHZSZYWDP-CYBMUJFWSA-N 0 3 245.366 3.357 20 0 BGADHN CC(=O)C1CCN([C@@H](C)c2ccccc2C)CC1 ZINC000846947578 588297958 /nfs/dbraw/zinc/29/79/58/588297958.db2.gz FFUFSXHZSZYWDP-ZDUSSCGKSA-N 0 3 245.366 3.357 20 0 BGADHN CC(=O)C1CCN(CCCC2CCCC2)CC1 ZINC000846948859 588298451 /nfs/dbraw/zinc/29/84/51/588298451.db2.gz VDGSLVAXPPQDHW-UHFFFAOYSA-N 0 3 237.387 3.258 20 0 BGADHN CC(=O)C1CCN([C@H](C)c2cccc(C)c2)CC1 ZINC000846949963 588298334 /nfs/dbraw/zinc/29/83/34/588298334.db2.gz IAIFVLCXMLPJSC-CYBMUJFWSA-N 0 3 245.366 3.357 20 0 BGADHN CC(=O)C1CCN([C@@H](C)c2cccc(C)c2)CC1 ZINC000846949967 588298260 /nfs/dbraw/zinc/29/82/60/588298260.db2.gz IAIFVLCXMLPJSC-ZDUSSCGKSA-N 0 3 245.366 3.357 20 0 BGADHN CC[C@@H](c1ccccc1)N1CCC(C(C)=O)CC1 ZINC000846952420 588298475 /nfs/dbraw/zinc/29/84/75/588298475.db2.gz XYNFDKZKPGHVLJ-INIZCTEOSA-N 0 3 245.366 3.439 20 0 BGADHN CC[C@H](c1ccccc1)N1CCC(C(C)=O)CC1 ZINC000846952423 588298457 /nfs/dbraw/zinc/29/84/57/588298457.db2.gz XYNFDKZKPGHVLJ-MRXNPFEDSA-N 0 3 245.366 3.439 20 0 BGADHN Cc1ccc(CN[C@@H]2CCC2(C)C)c(Cl)n1 ZINC000846961510 645408304 /nfs/dbraw/zinc/40/83/04/645408304.db2.gz OKWGCYKBQFPLRJ-LLVKDONJSA-N 0 3 238.762 3.322 20 0 BGADHN Cc1ccc(CN[C@H]2CCC2(C)C)c(Cl)n1 ZINC000846961515 645409660 /nfs/dbraw/zinc/40/96/60/645409660.db2.gz OKWGCYKBQFPLRJ-NSHDSACASA-N 0 3 238.762 3.322 20 0 BGADHN CC1(C)CC[C@@H]1NCc1cnc(Cl)c(F)c1 ZINC000846962737 588298961 /nfs/dbraw/zinc/29/89/61/588298961.db2.gz SKRKXFLUJQKZDH-JTQLQIEISA-N 0 3 242.725 3.152 20 0 BGADHN CC1(C)CC[C@H]1NCc1cnc(Cl)c(F)c1 ZINC000846962968 588298779 /nfs/dbraw/zinc/29/87/79/588298779.db2.gz SKRKXFLUJQKZDH-SNVBAGLBSA-N 0 3 242.725 3.152 20 0 BGADHN CC(C)Oc1ccnc(CN[C@H]2CCC2(C)C)c1 ZINC000846963072 588298863 /nfs/dbraw/zinc/29/88/63/588298863.db2.gz TWQCPHBSLFPICE-AWEZNQCLSA-N 0 3 248.370 3.147 20 0 BGADHN CC(C)Oc1ccnc(CN[C@@H]2CCC2(C)C)c1 ZINC000846963079 588298776 /nfs/dbraw/zinc/29/87/76/588298776.db2.gz TWQCPHBSLFPICE-CQSZACIVSA-N 0 3 248.370 3.147 20 0 BGADHN CN(CC1(Br)CC1)C1CC(C)(C)C1 ZINC000846993827 588300846 /nfs/dbraw/zinc/30/08/46/588300846.db2.gz SYYDAZQSVIRGLA-UHFFFAOYSA-N 0 3 246.192 3.034 20 0 BGADHN C[C@@H]1CC(C)(C)CN1CC1(Br)CC1 ZINC000846994759 588300852 /nfs/dbraw/zinc/30/08/52/588300852.db2.gz LFIYQRLANCQEMJ-SECBINFHSA-N 0 3 246.192 3.034 20 0 BGADHN C[C@H]1CC(C)(C)CN1CC1(Br)CC1 ZINC000846994763 588301071 /nfs/dbraw/zinc/30/10/71/588301071.db2.gz LFIYQRLANCQEMJ-VIFPVBQESA-N 0 3 246.192 3.034 20 0 BGADHN CN(CCC(C)(C)C)CC1(Br)CC1 ZINC000847008315 588301203 /nfs/dbraw/zinc/30/12/03/588301203.db2.gz FGHBSYNLNSMPKQ-UHFFFAOYSA-N 0 3 248.208 3.282 20 0 BGADHN CN(Cc1cnc(Cl)c(F)c1)C(C)(C)C ZINC000847013522 588301481 /nfs/dbraw/zinc/30/14/81/588301481.db2.gz VFXUZZZXTFXXBF-UHFFFAOYSA-N 0 3 230.714 3.104 20 0 BGADHN CCCN(CC1(Br)CC1)C(C)C ZINC000847023196 588303314 /nfs/dbraw/zinc/30/33/14/588303314.db2.gz AXUVZWJUTFXAIL-UHFFFAOYSA-N 0 3 234.181 3.034 20 0 BGADHN CCCCC[C@@H](C)N[C@@H]1CCCn2ccnc21 ZINC000848513527 588388362 /nfs/dbraw/zinc/38/83/62/588388362.db2.gz GTPRIIOPMZCFDV-CHWSQXEVSA-N 0 3 235.375 3.276 20 0 BGADHN CCCCC[C@@H](C)N[C@H]1CCCn2ccnc21 ZINC000848513528 588388332 /nfs/dbraw/zinc/38/83/32/588388332.db2.gz GTPRIIOPMZCFDV-OLZOCXBDSA-N 0 3 235.375 3.276 20 0 BGADHN CCCCC[C@H](C)N[C@@H]1CCCn2ccnc21 ZINC000848513529 588388169 /nfs/dbraw/zinc/38/81/69/588388169.db2.gz GTPRIIOPMZCFDV-QWHCGFSZSA-N 0 3 235.375 3.276 20 0 BGADHN CCCCC[C@H](C)N[C@H]1CCCn2ccnc21 ZINC000848513530 588388380 /nfs/dbraw/zinc/38/83/80/588388380.db2.gz GTPRIIOPMZCFDV-STQMWFEESA-N 0 3 235.375 3.276 20 0 BGADHN Cc1cnc(COc2cc(C)nc(C)c2C)s1 ZINC000848515261 588388719 /nfs/dbraw/zinc/38/87/19/588388719.db2.gz YFTKGVNWVALVDE-UHFFFAOYSA-N 0 3 248.351 3.351 20 0 BGADHN c1cn2c(n1)[C@@H](NC1CCCCCCC1)CCC2 ZINC000848515535 588388872 /nfs/dbraw/zinc/38/88/72/588388872.db2.gz YCGJIBDGSHWUJI-AWEZNQCLSA-N 0 3 247.386 3.421 20 0 BGADHN c1cn2c(n1)[C@H](NC1CCCCCCC1)CCC2 ZINC000848515539 588388863 /nfs/dbraw/zinc/38/88/63/588388863.db2.gz YCGJIBDGSHWUJI-CQSZACIVSA-N 0 3 247.386 3.421 20 0 BGADHN CCCCC[C@@H](C)NCc1cc2n(n1)CCCC2 ZINC000848525885 588392516 /nfs/dbraw/zinc/39/25/16/588392516.db2.gz REFOEJKKTNGHQH-CYBMUJFWSA-N 0 3 249.402 3.278 20 0 BGADHN CCCCC[C@H](C)NCc1cc2n(n1)CCCC2 ZINC000848525886 588392692 /nfs/dbraw/zinc/39/26/92/588392692.db2.gz REFOEJKKTNGHQH-ZDUSSCGKSA-N 0 3 249.402 3.278 20 0 BGADHN CC(C)c1ccccc1CNCCOCC1CC1 ZINC000848536406 588393887 /nfs/dbraw/zinc/39/38/87/588393887.db2.gz RKXVFFQZUMUOGK-UHFFFAOYSA-N 0 3 247.382 3.326 20 0 BGADHN CC(C)c1ccccc1CNCCOC1CCC1 ZINC000848539650 588394298 /nfs/dbraw/zinc/39/42/98/588394298.db2.gz BWKRNDICMNSPSR-UHFFFAOYSA-N 0 3 247.382 3.469 20 0 BGADHN C[C@@H](N[C@@H](C)C1(C)CC1)c1cn2ccccc2n1 ZINC000848540564 588394639 /nfs/dbraw/zinc/39/46/39/588394639.db2.gz ILVNVJJUZGJBEF-NEPJUHHUSA-N 0 3 243.354 3.174 20 0 BGADHN C[C@@H](N[C@@H](C)c1cn2ccccc2n1)C1(C)CC1 ZINC000848540567 588394445 /nfs/dbraw/zinc/39/44/45/588394445.db2.gz ILVNVJJUZGJBEF-NWDGAFQWSA-N 0 3 243.354 3.174 20 0 BGADHN C[C@H](N[C@@H](C)C1(C)CC1)c1cn2ccccc2n1 ZINC000848540575 588394692 /nfs/dbraw/zinc/39/46/92/588394692.db2.gz ILVNVJJUZGJBEF-RYUDHWBXSA-N 0 3 243.354 3.174 20 0 BGADHN C[C@@H](N[C@H](C)C1(C)CC1)c1cn2ccccc2n1 ZINC000848540578 588394884 /nfs/dbraw/zinc/39/48/84/588394884.db2.gz ILVNVJJUZGJBEF-VXGBXAGGSA-N 0 3 243.354 3.174 20 0 BGADHN CC(C)OCCNCc1ccccc1C(C)C ZINC000848547782 588395659 /nfs/dbraw/zinc/39/56/59/588395659.db2.gz UIPDBJCCVGYSNF-UHFFFAOYSA-N 0 3 235.371 3.325 20 0 BGADHN CC(C)c1ccccc1CN[C@@H](C)CF ZINC000848554326 588396572 /nfs/dbraw/zinc/39/65/72/588396572.db2.gz YGCREOUUWKMCRW-NSHDSACASA-N 0 3 209.308 3.258 20 0 BGADHN CC(C)c1ccccc1CN[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000848556763 588397233 /nfs/dbraw/zinc/39/72/33/588397233.db2.gz CHUYZUVNPRZVAR-BMFZPTHFSA-N 0 3 245.366 3.220 20 0 BGADHN Cc1cc(CNC2(C)CC=CC2)c(C)o1 ZINC000848561244 588393210 /nfs/dbraw/zinc/39/32/10/588393210.db2.gz SEUCNFGJUUSUFE-UHFFFAOYSA-N 0 3 205.301 3.095 20 0 BGADHN CC(C)c1ncc(CNC2(C)CC=CC2)s1 ZINC000848561502 588397789 /nfs/dbraw/zinc/39/77/89/588397789.db2.gz XJVIQZIAJGUKGC-UHFFFAOYSA-N 0 3 236.384 3.465 20 0 BGADHN Cc1cc(CN[C@H](C)Cc2ccccn2)c(C)o1 ZINC000848567182 588398495 /nfs/dbraw/zinc/39/84/95/588398495.db2.gz QJBMWJFTXXBFKM-LLVKDONJSA-N 0 3 244.338 3.012 20 0 BGADHN Cc1cc(CN[C@@H](C)Cc2ccccn2)c(C)o1 ZINC000848567183 588398012 /nfs/dbraw/zinc/39/80/12/588398012.db2.gz QJBMWJFTXXBFKM-NSHDSACASA-N 0 3 244.338 3.012 20 0 BGADHN C[C@H](CC1CCC1)NCc1noc2ccccc21 ZINC000848573126 588399241 /nfs/dbraw/zinc/39/92/41/588399241.db2.gz QRJWQQVZHXRHHX-LLVKDONJSA-N 0 3 244.338 3.496 20 0 BGADHN C[C@@H](CC1CCC1)NCc1noc2ccccc21 ZINC000848573127 588398680 /nfs/dbraw/zinc/39/86/80/588398680.db2.gz QRJWQQVZHXRHHX-NSHDSACASA-N 0 3 244.338 3.496 20 0 BGADHN CC1(CNCc2noc3ccccc32)CCC1 ZINC000848579459 588399402 /nfs/dbraw/zinc/39/94/02/588399402.db2.gz CXICQCAMQWUWNG-UHFFFAOYSA-N 0 3 230.311 3.108 20 0 BGADHN CC(C)c1ccccc1CN(C)C1CC1 ZINC000848881202 588416218 /nfs/dbraw/zinc/41/62/18/588416218.db2.gz LZJMPFPAGASJMP-UHFFFAOYSA-N 0 3 203.329 3.404 20 0 BGADHN CC(C)c1ccccc1CN1CCCOCC1 ZINC000848882538 588416377 /nfs/dbraw/zinc/41/63/77/588416377.db2.gz SOLPBQYQKWPIJJ-UHFFFAOYSA-N 0 3 233.355 3.032 20 0 BGADHN CC(C)c1ccccc1CN(C)[C@H]1CCOC1 ZINC000848885583 588417348 /nfs/dbraw/zinc/41/73/48/588417348.db2.gz LAOGHKYFFSHNFQ-AWEZNQCLSA-N 0 3 233.355 3.031 20 0 BGADHN CC(C)c1ccccc1CN(C)[C@@H]1CCOC1 ZINC000848885584 588417039 /nfs/dbraw/zinc/41/70/39/588417039.db2.gz LAOGHKYFFSHNFQ-CQSZACIVSA-N 0 3 233.355 3.031 20 0 BGADHN CC(C)c1ccccc1CN1CCCO[C@@H](C)C1 ZINC000848885930 588416604 /nfs/dbraw/zinc/41/66/04/588416604.db2.gz OHJVTZYCMCXIKS-AWEZNQCLSA-N 0 3 247.382 3.421 20 0 BGADHN CC(C)c1ccccc1CN1CCCO[C@H](C)C1 ZINC000848885931 588417276 /nfs/dbraw/zinc/41/72/76/588417276.db2.gz OHJVTZYCMCXIKS-CQSZACIVSA-N 0 3 247.382 3.421 20 0 BGADHN CC(C)c1ccccc1CN(C)CC[C@@H](C)O ZINC000848887280 588416949 /nfs/dbraw/zinc/41/69/49/588416949.db2.gz SBESWVWVVMIYIO-CYBMUJFWSA-N 0 3 235.371 3.013 20 0 BGADHN CC(C)c1ccccc1CN(C)CC[C@H](C)O ZINC000848887281 588416725 /nfs/dbraw/zinc/41/67/25/588416725.db2.gz SBESWVWVVMIYIO-ZDUSSCGKSA-N 0 3 235.371 3.013 20 0 BGADHN CC(C)c1ccccc1CN1CCCOC[C@@H]1C ZINC000848887302 588416769 /nfs/dbraw/zinc/41/67/69/588416769.db2.gz SJNOMFDDCOAHLX-AWEZNQCLSA-N 0 3 247.382 3.421 20 0 BGADHN CC(C)c1ccccc1CN1CCCOC[C@H]1C ZINC000848887303 588417366 /nfs/dbraw/zinc/41/73/66/588417366.db2.gz SJNOMFDDCOAHLX-CQSZACIVSA-N 0 3 247.382 3.421 20 0 BGADHN CC(C)c1ccccc1CN1CCOC[C@@H](C)C1 ZINC000848887488 588416785 /nfs/dbraw/zinc/41/67/85/588416785.db2.gz XPGQKKOJBBCVFO-AWEZNQCLSA-N 0 3 247.382 3.278 20 0 BGADHN CC(C)c1ccccc1CN1CCOC[C@H](C)C1 ZINC000848887489 588416909 /nfs/dbraw/zinc/41/69/09/588416909.db2.gz XPGQKKOJBBCVFO-CQSZACIVSA-N 0 3 247.382 3.278 20 0 BGADHN CC(C)c1ccccc1CN(CCCO)C1CC1 ZINC000848887540 588417355 /nfs/dbraw/zinc/41/73/55/588417355.db2.gz YNPQGVDZWXWVLU-UHFFFAOYSA-N 0 3 247.382 3.157 20 0 BGADHN CCOCCN(C)Cc1ccccc1C(C)C ZINC000848900373 588417430 /nfs/dbraw/zinc/41/74/30/588417430.db2.gz GCVPYLGXIFZKIP-UHFFFAOYSA-N 0 3 235.371 3.278 20 0 BGADHN CC(C)c1ccccc1CN(C)CC1(CO)CC1 ZINC000848904921 588418700 /nfs/dbraw/zinc/41/87/00/588418700.db2.gz DLZOJADRWLDUOS-UHFFFAOYSA-N 0 3 247.382 3.014 20 0 BGADHN CC(C)c1ccccc1CN1CC(C)C1 ZINC000848907567 588419079 /nfs/dbraw/zinc/41/90/79/588419079.db2.gz FWGOVRMQWNIRJP-UHFFFAOYSA-N 0 3 203.329 3.262 20 0 BGADHN CO[C@H](C)CN(C)Cc1ccccc1C(C)C ZINC000848910419 588419561 /nfs/dbraw/zinc/41/95/61/588419561.db2.gz IOPZFEHCXBZSME-CYBMUJFWSA-N 0 3 235.371 3.277 20 0 BGADHN CO[C@@H](C)CN(C)Cc1ccccc1C(C)C ZINC000848910420 588419065 /nfs/dbraw/zinc/41/90/65/588419065.db2.gz IOPZFEHCXBZSME-ZDUSSCGKSA-N 0 3 235.371 3.277 20 0 BGADHN CCC(CC)N(CC)Cc1cnc(Cl)n1C ZINC000848911601 588419418 /nfs/dbraw/zinc/41/94/18/588419418.db2.gz HOWCKYVAXPZHES-UHFFFAOYSA-N 0 3 243.782 3.084 20 0 BGADHN CCCC[C@H](C)N(C)Cc1cnc(Cl)n1C ZINC000848912150 588419390 /nfs/dbraw/zinc/41/93/90/588419390.db2.gz CPNGKMKMGSMQDW-JTQLQIEISA-N 0 3 243.782 3.084 20 0 BGADHN CCCC[C@@H](C)N(C)Cc1cnc(Cl)n1C ZINC000848912151 588417406 /nfs/dbraw/zinc/41/74/06/588417406.db2.gz CPNGKMKMGSMQDW-SNVBAGLBSA-N 0 3 243.782 3.084 20 0 BGADHN CC(C)c1ccccc1CN1CC2(CC2)C1 ZINC000848913555 588420462 /nfs/dbraw/zinc/42/04/62/588420462.db2.gz AGFLGIDRRJDTHK-UHFFFAOYSA-N 0 3 215.340 3.406 20 0 BGADHN COC[C@@H]1CCN1Cc1ccccc1C(C)C ZINC000848914503 588420342 /nfs/dbraw/zinc/42/03/42/588420342.db2.gz OQKOZMQCULSLOJ-AWEZNQCLSA-N 0 3 233.355 3.031 20 0 BGADHN COC[C@H]1CCN1Cc1ccccc1C(C)C ZINC000848914505 588420383 /nfs/dbraw/zinc/42/03/83/588420383.db2.gz OQKOZMQCULSLOJ-CQSZACIVSA-N 0 3 233.355 3.031 20 0 BGADHN CC(C)c1ccccc1CN1CC2(C1)CCOC2 ZINC000848915024 588420413 /nfs/dbraw/zinc/42/04/13/588420413.db2.gz WRKFCGKHJZOKFD-UHFFFAOYSA-N 0 3 245.366 3.032 20 0 BGADHN CC(C)c1ccccc1CN1CC(C(C)(C)O)C1 ZINC000848916555 588419988 /nfs/dbraw/zinc/41/99/88/588419988.db2.gz IMLLSNMAXPGGOY-UHFFFAOYSA-N 0 3 247.382 3.013 20 0 BGADHN COCC1(C)CN(Cc2ccccc2C(C)C)C1 ZINC000848916563 588420249 /nfs/dbraw/zinc/42/02/49/588420249.db2.gz ITQDIHPHNDYKFL-UHFFFAOYSA-N 0 3 247.382 3.278 20 0 BGADHN CC1(NCc2ccnc(Cl)c2F)CC=CC1 ZINC000848922670 588420976 /nfs/dbraw/zinc/42/09/76/588420976.db2.gz XEVSWIUNFMHXSB-UHFFFAOYSA-N 0 3 240.709 3.072 20 0 BGADHN c1ncc(CN2CCC[C@H]2CC2CCCC2)cn1 ZINC000848929513 588421806 /nfs/dbraw/zinc/42/18/06/588421806.db2.gz XNFCVGBTVDEKBP-HNNXBMFYSA-N 0 3 245.370 3.021 20 0 BGADHN c1ncc(CN2CCC[C@@H]2CC2CCCC2)cn1 ZINC000848929515 588421986 /nfs/dbraw/zinc/42/19/86/588421986.db2.gz XNFCVGBTVDEKBP-OAHLLOKOSA-N 0 3 245.370 3.021 20 0 BGADHN Fc1ccc(F)c2c1CC[C@H]2N[C@@H]1C=CCC1 ZINC000849321775 588472281 /nfs/dbraw/zinc/47/22/81/588472281.db2.gz ATKRRZCWIODJNH-NOZJJQNGSA-N 0 3 235.277 3.260 20 0 BGADHN Fc1ccc(F)c2c1CC[C@@H]2N[C@@H]1C=CCC1 ZINC000849321776 588472669 /nfs/dbraw/zinc/47/26/69/588472669.db2.gz ATKRRZCWIODJNH-RNCFNFMXSA-N 0 3 235.277 3.260 20 0 BGADHN Fc1ccc(F)c2c1CC[C@H]2N[C@H]1C=CCC1 ZINC000849321777 588471909 /nfs/dbraw/zinc/47/19/09/588471909.db2.gz ATKRRZCWIODJNH-TVQRCGJNSA-N 0 3 235.277 3.260 20 0 BGADHN Fc1ccc(F)c2c1CC[C@@H]2N[C@H]1C=CCC1 ZINC000849321778 588471977 /nfs/dbraw/zinc/47/19/77/588471977.db2.gz ATKRRZCWIODJNH-ZANVPECISA-N 0 3 235.277 3.260 20 0 BGADHN Fc1cc2c(c(F)c1)CC[C@@H]2N[C@H]1C=CCC1 ZINC000849322842 588472617 /nfs/dbraw/zinc/47/26/17/588472617.db2.gz LUIUIBRDTDWXRO-HZMBPMFUSA-N 0 3 235.277 3.260 20 0 BGADHN Fc1cc2c(c(F)c1)CC[C@H]2N[C@H]1C=CCC1 ZINC000849322843 588472563 /nfs/dbraw/zinc/47/25/63/588472563.db2.gz LUIUIBRDTDWXRO-IINYFYTJSA-N 0 3 235.277 3.260 20 0 BGADHN Fc1cc2c(c(F)c1)CC[C@H]2N[C@@H]1C=CCC1 ZINC000849322844 588472393 /nfs/dbraw/zinc/47/23/93/588472393.db2.gz LUIUIBRDTDWXRO-QMTHXVAHSA-N 0 3 235.277 3.260 20 0 BGADHN Fc1cc2c(c(F)c1)CC[C@@H]2N[C@@H]1C=CCC1 ZINC000849323045 588472301 /nfs/dbraw/zinc/47/23/01/588472301.db2.gz LUIUIBRDTDWXRO-YGRLFVJLSA-N 0 3 235.277 3.260 20 0 BGADHN Fc1ccc2c(c1)[C@H](N[C@H]1C=CCC1)CC2 ZINC000849324056 588472334 /nfs/dbraw/zinc/47/23/34/588472334.db2.gz WZDKFXJUBUBWCK-GXTWGEPZSA-N 0 3 217.287 3.121 20 0 BGADHN Fc1ccc2c(c1)[C@@H](N[C@H]1C=CCC1)CC2 ZINC000849324057 588472582 /nfs/dbraw/zinc/47/25/82/588472582.db2.gz WZDKFXJUBUBWCK-JSGCOSHPSA-N 0 3 217.287 3.121 20 0 BGADHN Fc1ccc2c(c1)[C@@H](N[C@@H]1C=CCC1)CC2 ZINC000849324060 588472242 /nfs/dbraw/zinc/47/22/42/588472242.db2.gz WZDKFXJUBUBWCK-OCCSQVGLSA-N 0 3 217.287 3.121 20 0 BGADHN Fc1ccc2c(c1)[C@H](N[C@@H]1C=CCC1)CC2 ZINC000849324066 582848825 /nfs/dbraw/zinc/84/88/25/582848825.db2.gz WZDKFXJUBUBWCK-TZMCWYRMSA-N 0 3 217.287 3.121 20 0 BGADHN CCCCCC[C@@H](C)NCc1cc2n(n1)CCC2 ZINC000850003777 588513747 /nfs/dbraw/zinc/51/37/47/588513747.db2.gz BRYZNEZUKMCGJD-CYBMUJFWSA-N 0 3 249.402 3.278 20 0 BGADHN CCCCCC[C@H](C)NCc1cc2n(n1)CCC2 ZINC000850003778 588513772 /nfs/dbraw/zinc/51/37/72/588513772.db2.gz BRYZNEZUKMCGJD-ZDUSSCGKSA-N 0 3 249.402 3.278 20 0 BGADHN c1c(CNC2CCCCCCC2)nn2c1CCC2 ZINC000850005499 588513822 /nfs/dbraw/zinc/51/38/22/588513822.db2.gz DIMNYUICVUFNJX-UHFFFAOYSA-N 0 3 247.386 3.032 20 0 BGADHN Cc1nc(CNCC2CCCCCCC2)[nH]c1C ZINC000850038756 588515018 /nfs/dbraw/zinc/51/50/18/588515018.db2.gz PZMQWQZBRASZLL-UHFFFAOYSA-N 0 3 249.402 3.477 20 0 BGADHN COc1cncc(CNC2CC(C(C)(C)C)C2)c1 ZINC000850311855 588536110 /nfs/dbraw/zinc/53/61/10/588536110.db2.gz XRJYSFGRDQIHLZ-UHFFFAOYSA-N 0 3 248.370 3.005 20 0 BGADHN CC[C@@H]1CCC[C@H](N[C@@H]2CCn3ccnc32)CC1 ZINC000850312445 588536184 /nfs/dbraw/zinc/53/61/84/588536184.db2.gz NBOWIHZPDAGNOF-HZSPNIEDSA-N 0 3 247.386 3.276 20 0 BGADHN CC[C@@H]1CCC[C@@H](N[C@H]2CCn3ccnc32)CC1 ZINC000850312446 588536065 /nfs/dbraw/zinc/53/60/65/588536065.db2.gz NBOWIHZPDAGNOF-MCIONIFRSA-N 0 3 247.386 3.276 20 0 BGADHN CC[C@@H]1CCC[C@@H](N[C@@H]2CCn3ccnc32)CC1 ZINC000850312447 588536149 /nfs/dbraw/zinc/53/61/49/588536149.db2.gz NBOWIHZPDAGNOF-MGPQQGTHSA-N 0 3 247.386 3.276 20 0 BGADHN CC[C@@H]1CCC[C@H](N[C@H]2CCn3ccnc32)CC1 ZINC000850312448 588536027 /nfs/dbraw/zinc/53/60/27/588536027.db2.gz NBOWIHZPDAGNOF-RDBSUJKOSA-N 0 3 247.386 3.276 20 0 BGADHN COc1cncc(CN[C@@H]2C[C@H]2CC(C)(C)C)c1 ZINC000850339239 588537187 /nfs/dbraw/zinc/53/71/87/588537187.db2.gz NWXZOLFSSMUXFJ-GXTWGEPZSA-N 0 3 248.370 3.005 20 0 BGADHN Cc1cc(CNC[C@@H](C)c2ccccn2)c(C)o1 ZINC000850342065 588537634 /nfs/dbraw/zinc/53/76/34/588537634.db2.gz GGKAGUCCTFSUJQ-LLVKDONJSA-N 0 3 244.338 3.185 20 0 BGADHN Cc1cc(CNC[C@H](C)c2ccccn2)c(C)o1 ZINC000850342066 588537567 /nfs/dbraw/zinc/53/75/67/588537567.db2.gz GGKAGUCCTFSUJQ-NSHDSACASA-N 0 3 244.338 3.185 20 0 BGADHN Cc1cc(F)ccc1C[C@@H](C)NCc1ccoc1 ZINC000850350633 588538265 /nfs/dbraw/zinc/53/82/65/588538265.db2.gz TZCMBTRVRSMDOV-GFCCVEGCSA-N 0 3 247.313 3.448 20 0 BGADHN Cc1cc(F)ccc1C[C@H](C)NCc1ccoc1 ZINC000850350634 588537886 /nfs/dbraw/zinc/53/78/86/588537886.db2.gz TZCMBTRVRSMDOV-LBPRGKRZSA-N 0 3 247.313 3.448 20 0 BGADHN CCC(C)(C)[C@H](C)NCc1coc(C2CC2)n1 ZINC000850355105 588538465 /nfs/dbraw/zinc/53/84/65/588538465.db2.gz FZEZJIXRCZYQFT-JTQLQIEISA-N 0 3 236.359 3.466 20 0 BGADHN CCC(C)(C)[C@@H](C)NCc1coc(C2CC2)n1 ZINC000850355106 588538518 /nfs/dbraw/zinc/53/85/18/588538518.db2.gz FZEZJIXRCZYQFT-SNVBAGLBSA-N 0 3 236.359 3.466 20 0 BGADHN CC[C@H](C)CCNCc1cccnc1Cl ZINC000850355594 588538603 /nfs/dbraw/zinc/53/86/03/588538603.db2.gz JQHNUYQKQUPOMN-JTQLQIEISA-N 0 3 226.751 3.261 20 0 BGADHN CC[C@@H](C)CCNCc1cccnc1Cl ZINC000850355596 588538664 /nfs/dbraw/zinc/53/86/64/588538664.db2.gz JQHNUYQKQUPOMN-SNVBAGLBSA-N 0 3 226.751 3.261 20 0 BGADHN CCC(C)(C)[C@@H](C)NCc1nc2ccccc2[nH]1 ZINC000850356169 588538548 /nfs/dbraw/zinc/53/85/48/588538548.db2.gz NRSNMYMHLUHSRF-LLVKDONJSA-N 0 3 245.370 3.477 20 0 BGADHN CCC(C)(C)[C@H](C)NCc1nc2ccccc2[nH]1 ZINC000850356172 588538530 /nfs/dbraw/zinc/53/85/30/588538530.db2.gz NRSNMYMHLUHSRF-NSHDSACASA-N 0 3 245.370 3.477 20 0 BGADHN Cn1cnc(CNC2CCC3(CCCC3)CC2)c1 ZINC000850357918 588539308 /nfs/dbraw/zinc/53/93/08/588539308.db2.gz BECKRRWMCTVYKL-UHFFFAOYSA-N 0 3 247.386 3.013 20 0 BGADHN FC(F)Oc1cccc(CN[C@@H]2C=CCC2)c1 ZINC000850358145 588539284 /nfs/dbraw/zinc/53/92/84/588539284.db2.gz IDNAKKRFWGOQJL-LLVKDONJSA-N 0 3 239.265 3.096 20 0 BGADHN FC(F)Oc1cccc(CN[C@H]2C=CCC2)c1 ZINC000850358146 588539095 /nfs/dbraw/zinc/53/90/95/588539095.db2.gz IDNAKKRFWGOQJL-NSHDSACASA-N 0 3 239.265 3.096 20 0 BGADHN Fc1ccc(/C=C\CN[C@H]2C=CCC2)cc1 ZINC000850358308 588539458 /nfs/dbraw/zinc/53/94/58/588539458.db2.gz AXZPCXUMIRPQMX-NQHOJNORSA-N 0 3 217.287 3.147 20 0 BGADHN Fc1ccc(/C=C/CN[C@@H]2C=CCC2)cc1 ZINC000850358311 588539223 /nfs/dbraw/zinc/53/92/23/588539223.db2.gz AXZPCXUMIRPQMX-RDFMZFSFSA-N 0 3 217.287 3.147 20 0 BGADHN Fc1ccc(/C=C\CN[C@@H]2C=CCC2)cc1 ZINC000850358313 588539099 /nfs/dbraw/zinc/53/90/99/588539099.db2.gz AXZPCXUMIRPQMX-VQTKUKTRSA-N 0 3 217.287 3.147 20 0 BGADHN Fc1ccc(/C=C/CN[C@H]2C=CCC2)cc1 ZINC000850358315 588539132 /nfs/dbraw/zinc/53/91/32/588539132.db2.gz AXZPCXUMIRPQMX-XGACYXMMSA-N 0 3 217.287 3.147 20 0 BGADHN COc1cc(CN[C@@H]2C=CCC2)ccc1SC ZINC000850358401 588538966 /nfs/dbraw/zinc/53/89/66/588538966.db2.gz OLXHEJKXQNYXQV-GFCCVEGCSA-N 0 3 249.379 3.225 20 0 BGADHN COc1cc(CN[C@H]2C=CCC2)ccc1SC ZINC000850358403 588539425 /nfs/dbraw/zinc/53/94/25/588539425.db2.gz OLXHEJKXQNYXQV-LBPRGKRZSA-N 0 3 249.379 3.225 20 0 BGADHN COc1ccccc1/C=C\CN[C@@H]1C=CCC1 ZINC000850358409 588539471 /nfs/dbraw/zinc/53/94/71/588539471.db2.gz CKZOXBJNMNLCMP-IQCBXXCUSA-N 0 3 229.323 3.017 20 0 BGADHN COc1ccccc1/C=C/CN[C@@H]1C=CCC1 ZINC000850358410 588539439 /nfs/dbraw/zinc/53/94/39/588539439.db2.gz CKZOXBJNMNLCMP-IZPAUZPXSA-N 0 3 229.323 3.017 20 0 BGADHN COc1ccccc1/C=C/CN[C@H]1C=CCC1 ZINC000850358412 588539361 /nfs/dbraw/zinc/53/93/61/588539361.db2.gz CKZOXBJNMNLCMP-OWNNVSBGSA-N 0 3 229.323 3.017 20 0 BGADHN COc1ccccc1/C=C\CN[C@H]1C=CCC1 ZINC000850358414 588539282 /nfs/dbraw/zinc/53/92/82/588539282.db2.gz CKZOXBJNMNLCMP-QPBFKRLHSA-N 0 3 229.323 3.017 20 0 BGADHN C1=C[C@@H](NCc2cnc(C3CCC3)s2)CC1 ZINC000850358438 588539070 /nfs/dbraw/zinc/53/90/70/588539070.db2.gz DANPDAHOQPRPIU-LLVKDONJSA-N 0 3 234.368 3.219 20 0 BGADHN C1=C[C@H](NCc2cnc(C3CCC3)s2)CC1 ZINC000850358439 588539338 /nfs/dbraw/zinc/53/93/38/588539338.db2.gz DANPDAHOQPRPIU-NSHDSACASA-N 0 3 234.368 3.219 20 0 BGADHN C1=C[C@H](NCc2ccccc2OCC2CC2)CC1 ZINC000850358488 588539240 /nfs/dbraw/zinc/53/92/40/588539240.db2.gz QNZPFDZYDLQZIP-HNNXBMFYSA-N 0 3 243.350 3.284 20 0 BGADHN C1=C[C@@H](NCc2ccccc2OCC2CC2)CC1 ZINC000850358490 588539075 /nfs/dbraw/zinc/53/90/75/588539075.db2.gz QNZPFDZYDLQZIP-OAHLLOKOSA-N 0 3 243.350 3.284 20 0 BGADHN CCc1cccc(F)c1CN[C@@H]1C=CCC1 ZINC000850358494 588539191 /nfs/dbraw/zinc/53/91/91/588539191.db2.gz DWGAZKBSSNYILL-GFCCVEGCSA-N 0 3 219.303 3.196 20 0 BGADHN CCc1cccc(F)c1CN[C@H]1C=CCC1 ZINC000850358498 588539145 /nfs/dbraw/zinc/53/91/45/588539145.db2.gz DWGAZKBSSNYILL-LBPRGKRZSA-N 0 3 219.303 3.196 20 0 BGADHN Fc1ccc(/C=C\CN[C@@H]2C=CCC2)c(F)c1 ZINC000850358543 588538909 /nfs/dbraw/zinc/53/89/09/588538909.db2.gz FZUFAESCGSWGMN-DHCBQETCSA-N 0 3 235.277 3.286 20 0 BGADHN Fc1ccc(/C=C/CN[C@@H]2C=CCC2)c(F)c1 ZINC000850358545 588538983 /nfs/dbraw/zinc/53/89/83/588538983.db2.gz FZUFAESCGSWGMN-ITDFMYJTSA-N 0 3 235.277 3.286 20 0 BGADHN Fc1ccc(/C=C/CN[C@H]2C=CCC2)c(F)c1 ZINC000850358547 588539328 /nfs/dbraw/zinc/53/93/28/588539328.db2.gz FZUFAESCGSWGMN-OOPCZODUSA-N 0 3 235.277 3.286 20 0 BGADHN Fc1ccc(/C=C\CN[C@H]2C=CCC2)c(F)c1 ZINC000850358548 588539062 /nfs/dbraw/zinc/53/90/62/588539062.db2.gz FZUFAESCGSWGMN-SCOBNMCVSA-N 0 3 235.277 3.286 20 0 BGADHN Fc1ccc(/C=C/CN[C@@H]2C=CCC2)cc1F ZINC000850358582 588539024 /nfs/dbraw/zinc/53/90/24/588539024.db2.gz GPIDHTJGLOOWNV-AAOUONPWSA-N 0 3 235.277 3.286 20 0 BGADHN Fc1ccc(/C=C\CN[C@H]2C=CCC2)cc1F ZINC000850358583 588539451 /nfs/dbraw/zinc/53/94/51/588539451.db2.gz GPIDHTJGLOOWNV-MVZIDQBPSA-N 0 3 235.277 3.286 20 0 BGADHN Fc1ccc(/C=C/CN[C@H]2C=CCC2)cc1F ZINC000850358585 588539396 /nfs/dbraw/zinc/53/93/96/588539396.db2.gz GPIDHTJGLOOWNV-PCAWENJQSA-N 0 3 235.277 3.286 20 0 BGADHN Fc1ccc(/C=C\CN[C@@H]2C=CCC2)cc1F ZINC000850358587 588539300 /nfs/dbraw/zinc/53/93/00/588539300.db2.gz GPIDHTJGLOOWNV-VSQXVHSFSA-N 0 3 235.277 3.286 20 0 BGADHN C1=C[C@@H](NCc2nccc3ccccc32)CC1 ZINC000850358642 588539389 /nfs/dbraw/zinc/53/93/89/588539389.db2.gz INWLVWCSPCQOEU-CYBMUJFWSA-N 0 3 224.307 3.043 20 0 BGADHN C1=C[C@H](NCc2nccc3ccccc32)CC1 ZINC000850358643 588539230 /nfs/dbraw/zinc/53/92/30/588539230.db2.gz INWLVWCSPCQOEU-ZDUSSCGKSA-N 0 3 224.307 3.043 20 0 BGADHN Cc1nn(C(C)(C)C)c(C)c1CN[C@@H]1C=CCC1 ZINC000850358668 588539032 /nfs/dbraw/zinc/53/90/32/588539032.db2.gz JHAMLTUTOJNUTO-CYBMUJFWSA-N 0 3 247.386 3.063 20 0 BGADHN Cc1nn(C(C)(C)C)c(C)c1CN[C@H]1C=CCC1 ZINC000850358670 588539330 /nfs/dbraw/zinc/53/93/30/588539330.db2.gz JHAMLTUTOJNUTO-ZDUSSCGKSA-N 0 3 247.386 3.063 20 0 BGADHN CSc1ccc(CN[C@@H]2C=CCC2)s1 ZINC000850358714 588539199 /nfs/dbraw/zinc/53/91/99/588539199.db2.gz KGZWJTGEMSJQSM-SECBINFHSA-N 0 3 225.382 3.278 20 0 BGADHN CSc1ccc(CN[C@H]2C=CCC2)s1 ZINC000850358716 588539302 /nfs/dbraw/zinc/53/93/02/588539302.db2.gz KGZWJTGEMSJQSM-VIFPVBQESA-N 0 3 225.382 3.278 20 0 BGADHN CCOc1ccc(CN[C@@H]2C=CCC2)cc1F ZINC000850358819 588539115 /nfs/dbraw/zinc/53/91/15/588539115.db2.gz MBQPOEAEANKHNY-GFCCVEGCSA-N 0 3 235.302 3.033 20 0 BGADHN CCOc1ccc(CN[C@H]2C=CCC2)cc1F ZINC000850358820 588539403 /nfs/dbraw/zinc/53/94/03/588539403.db2.gz MBQPOEAEANKHNY-LBPRGKRZSA-N 0 3 235.302 3.033 20 0 BGADHN Cc1cc(CN[C@H]2C=CCC2)cc2cccnc12 ZINC000850358821 588539382 /nfs/dbraw/zinc/53/93/82/588539382.db2.gz MBUZGECVBGWWIU-HNNXBMFYSA-N 0 3 238.334 3.351 20 0 BGADHN Cc1cc(CN[C@@H]2C=CCC2)cc2cccnc12 ZINC000850358828 588539058 /nfs/dbraw/zinc/53/90/58/588539058.db2.gz MBUZGECVBGWWIU-OAHLLOKOSA-N 0 3 238.334 3.351 20 0 BGADHN CC(C)c1ncc(CN[C@H]2C=CCC2)s1 ZINC000850358830 588539306 /nfs/dbraw/zinc/53/93/06/588539306.db2.gz MCYJYCZEHZQTJF-JTQLQIEISA-N 0 3 222.357 3.075 20 0 BGADHN CC(C)c1ncc(CN[C@@H]2C=CCC2)s1 ZINC000850358831 588539219 /nfs/dbraw/zinc/53/92/19/588539219.db2.gz MCYJYCZEHZQTJF-SNVBAGLBSA-N 0 3 222.357 3.075 20 0 BGADHN COc1ccc2oc(CN[C@@H]3C=CCC3)cc2c1 ZINC000850359029 588540034 /nfs/dbraw/zinc/54/00/34/588540034.db2.gz UCCKMXGMLNSGNK-GFCCVEGCSA-N 0 3 243.306 3.250 20 0 BGADHN COc1ccc2oc(CN[C@H]3C=CCC3)cc2c1 ZINC000850359030 588539657 /nfs/dbraw/zinc/53/96/57/588539657.db2.gz UCCKMXGMLNSGNK-LBPRGKRZSA-N 0 3 243.306 3.250 20 0 BGADHN CC(C)CCn1cccc1CN[C@H]1C=CCC1 ZINC000850359043 588539842 /nfs/dbraw/zinc/53/98/42/588539842.db2.gz UIEAQTXEPFFKKN-AWEZNQCLSA-N 0 3 232.371 3.342 20 0 BGADHN c1cc2cc(CN[C@@H]3C=CCC3)ccc2o1 ZINC000850359059 588539835 /nfs/dbraw/zinc/53/98/35/588539835.db2.gz UTYUEVZKVQNSQS-CYBMUJFWSA-N 0 3 213.280 3.241 20 0 BGADHN c1cc2cc(CN[C@H]3C=CCC3)ccc2o1 ZINC000850359060 588539846 /nfs/dbraw/zinc/53/98/46/588539846.db2.gz UTYUEVZKVQNSQS-ZDUSSCGKSA-N 0 3 213.280 3.241 20 0 BGADHN c1coc(-c2ncc(CN[C@H]3C=CCC3)s2)c1 ZINC000850359087 588540164 /nfs/dbraw/zinc/54/01/64/588540164.db2.gz VTJJHVYJXYLIJF-JTQLQIEISA-N 0 3 246.335 3.211 20 0 BGADHN c1coc(-c2ncc(CN[C@@H]3C=CCC3)s2)c1 ZINC000850359088 588540113 /nfs/dbraw/zinc/54/01/13/588540113.db2.gz VTJJHVYJXYLIJF-SNVBAGLBSA-N 0 3 246.335 3.211 20 0 BGADHN CC(C)Cc1ncc(CN[C@@H]2C=CCC2)s1 ZINC000850359137 588539726 /nfs/dbraw/zinc/53/97/26/588539726.db2.gz XPPKGCSCGPCOMK-LLVKDONJSA-N 0 3 236.384 3.150 20 0 BGADHN CC(C)Cc1ncc(CN[C@H]2C=CCC2)s1 ZINC000850359138 588540015 /nfs/dbraw/zinc/54/00/15/588540015.db2.gz XPPKGCSCGPCOMK-NSHDSACASA-N 0 3 236.384 3.150 20 0 BGADHN C1=C[C@H](NCc2ccc(OCC3CC3)cc2)CC1 ZINC000850359167 588539699 /nfs/dbraw/zinc/53/96/99/588539699.db2.gz YSPDFSPIBQLUGK-HNNXBMFYSA-N 0 3 243.350 3.284 20 0 BGADHN C1=C[C@@H](NCc2ccc(OCC3CC3)cc2)CC1 ZINC000850359168 588539765 /nfs/dbraw/zinc/53/97/65/588539765.db2.gz YSPDFSPIBQLUGK-OAHLLOKOSA-N 0 3 243.350 3.284 20 0 BGADHN Fc1ccc(CN[C@@H]2C=CCC2)c2ncccc12 ZINC000850359171 588539692 /nfs/dbraw/zinc/53/96/92/588539692.db2.gz ZKBPCJBWIHJQSL-GFCCVEGCSA-N 0 3 242.297 3.182 20 0 BGADHN Fc1ccc(CN[C@H]2C=CCC2)c2ncccc12 ZINC000850359172 588540088 /nfs/dbraw/zinc/54/00/88/588540088.db2.gz ZKBPCJBWIHJQSL-LBPRGKRZSA-N 0 3 242.297 3.182 20 0 BGADHN Fc1cc2cccnc2c(CN[C@H]2C=CCC2)c1 ZINC000850359187 588539665 /nfs/dbraw/zinc/53/96/65/588539665.db2.gz ZRJHSQOFGLDRDX-AWEZNQCLSA-N 0 3 242.297 3.182 20 0 BGADHN Fc1cc2cccnc2c(CN[C@@H]2C=CCC2)c1 ZINC000850359188 588539676 /nfs/dbraw/zinc/53/96/76/588539676.db2.gz ZRJHSQOFGLDRDX-CQSZACIVSA-N 0 3 242.297 3.182 20 0 BGADHN Fc1ccc2oc(CN[C@@H]3C=CCC3)cc2c1 ZINC000850359193 588539792 /nfs/dbraw/zinc/53/97/92/588539792.db2.gz ZTJGNOKMUOXDNQ-GFCCVEGCSA-N 0 3 231.270 3.380 20 0 BGADHN Fc1ccc2oc(CN[C@H]3C=CCC3)cc2c1 ZINC000850359194 632972039 /nfs/dbraw/zinc/97/20/39/632972039.db2.gz ZTJGNOKMUOXDNQ-LBPRGKRZSA-N 0 3 231.270 3.380 20 0 BGADHN Clc1cnc2oc(CN[C@@H]3C=CCC3)cc2c1 ZINC000850359223 588539950 /nfs/dbraw/zinc/53/99/50/588539950.db2.gz AJKCJMIIFRYAAS-LLVKDONJSA-N 0 3 248.713 3.289 20 0 BGADHN Clc1cnc2oc(CN[C@H]3C=CCC3)cc2c1 ZINC000850359224 588539702 /nfs/dbraw/zinc/53/97/02/588539702.db2.gz AJKCJMIIFRYAAS-NSHDSACASA-N 0 3 248.713 3.289 20 0 BGADHN CCOc1ccc(CN[C@H]2C=CCC2)c(C)c1 ZINC000850359288 588540048 /nfs/dbraw/zinc/54/00/48/588540048.db2.gz CTDHAUCJPLCXRU-AWEZNQCLSA-N 0 3 231.339 3.202 20 0 BGADHN CCOc1ccc(CN[C@@H]2C=CCC2)c(C)c1 ZINC000850359289 588539989 /nfs/dbraw/zinc/53/99/89/588539989.db2.gz CTDHAUCJPLCXRU-CQSZACIVSA-N 0 3 231.339 3.202 20 0 BGADHN CCc1cccc(CN[C@H]2C=CCC2)c1 ZINC000850359328 588539754 /nfs/dbraw/zinc/53/97/54/588539754.db2.gz DSVVJQBPQJTAIR-AWEZNQCLSA-N 0 3 201.313 3.057 20 0 BGADHN CCc1cccc(CN[C@@H]2C=CCC2)c1 ZINC000850359329 588540070 /nfs/dbraw/zinc/54/00/70/588540070.db2.gz DSVVJQBPQJTAIR-CQSZACIVSA-N 0 3 201.313 3.057 20 0 BGADHN Cc1ccc2cc(CN[C@@H]3C=CCC3)[nH]c2c1 ZINC000850359852 588540388 /nfs/dbraw/zinc/54/03/88/588540388.db2.gz UEVFZMNICWOFDO-CYBMUJFWSA-N 0 3 226.323 3.285 20 0 BGADHN Cc1ccc2cc(CN[C@H]3C=CCC3)[nH]c2c1 ZINC000850359853 588540547 /nfs/dbraw/zinc/54/05/47/588540547.db2.gz UEVFZMNICWOFDO-ZDUSSCGKSA-N 0 3 226.323 3.285 20 0 BGADHN Cc1cccc2[nH]c(CN[C@@H]3C=CCC3)cc21 ZINC000850360089 588540428 /nfs/dbraw/zinc/54/04/28/588540428.db2.gz YYSOIGZZCXHPIL-GFCCVEGCSA-N 0 3 226.323 3.285 20 0 BGADHN Cc1cccc2[nH]c(CN[C@H]3C=CCC3)cc21 ZINC000850360090 588540498 /nfs/dbraw/zinc/54/04/98/588540498.db2.gz YYSOIGZZCXHPIL-LBPRGKRZSA-N 0 3 226.323 3.285 20 0 BGADHN CCO[C@H]1C[C@H](NCc2cc(Cl)cs2)C1 ZINC000850362909 588540515 /nfs/dbraw/zinc/54/05/15/588540515.db2.gz UWHDDYAMAVIXBA-MGCOHNPYSA-N 0 3 245.775 3.059 20 0 BGADHN Cc1ccc(CCNCc2ccoc2)cc1C ZINC000850366645 588540488 /nfs/dbraw/zinc/54/04/88/588540488.db2.gz GTMILCBDJUCBAY-UHFFFAOYSA-N 0 3 229.323 3.229 20 0 BGADHN Cc1cc(C)cc(CNCc2ccc(F)nc2)c1 ZINC000850366882 588540893 /nfs/dbraw/zinc/54/08/93/588540893.db2.gz NBLVFJWVOQAEFG-UHFFFAOYSA-N 0 3 244.313 3.127 20 0 BGADHN O[C@H]1C[C@H](NCc2cccs2)c2ccccc21 ZINC000850370448 588541234 /nfs/dbraw/zinc/54/12/34/588541234.db2.gz OUWRDEOQHZIFQN-KBPBESRZSA-N 0 3 245.347 3.016 20 0 BGADHN O[C@H]1C[C@@H](NCc2cccs2)c2ccccc21 ZINC000850370449 588541063 /nfs/dbraw/zinc/54/10/63/588541063.db2.gz OUWRDEOQHZIFQN-KGLIPLIRSA-N 0 3 245.347 3.016 20 0 BGADHN O[C@@H]1C[C@H](NCc2cccs2)c2ccccc21 ZINC000850370450 588541144 /nfs/dbraw/zinc/54/11/44/588541144.db2.gz OUWRDEOQHZIFQN-UONOGXRCSA-N 0 3 245.347 3.016 20 0 BGADHN O[C@@H]1C[C@@H](NCc2cccs2)c2ccccc21 ZINC000850370451 588541276 /nfs/dbraw/zinc/54/12/76/588541276.db2.gz OUWRDEOQHZIFQN-ZIAGYGMSSA-N 0 3 245.347 3.016 20 0 BGADHN Cc1cc(CNCCCOC(C)(C)C)c(C)o1 ZINC000850370490 588540883 /nfs/dbraw/zinc/54/08/83/588540883.db2.gz PUNXDZULXIYBID-UHFFFAOYSA-N 0 3 239.359 3.191 20 0 BGADHN Cc1cc(CNCCC(C)(C)F)cnc1Cl ZINC000850373647 588541621 /nfs/dbraw/zinc/54/16/21/588541621.db2.gz BTCNEEVSMGCFHW-UHFFFAOYSA-N 0 3 244.741 3.271 20 0 BGADHN Cc1cc(CNCCC(C)(C)F)c(C)o1 ZINC000850374525 588541482 /nfs/dbraw/zinc/54/14/82/588541482.db2.gz LMUCUOSLCFOVLY-UHFFFAOYSA-N 0 3 213.296 3.124 20 0 BGADHN CC(C)c1ncc(CNCCC(C)(C)F)s1 ZINC000850375178 588541441 /nfs/dbraw/zinc/54/14/41/588541441.db2.gz WKROBBOZVDWVBI-UHFFFAOYSA-N 0 3 244.379 3.494 20 0 BGADHN Cc1cc(CNC[C@@]2(C)CC2(F)F)c(C)o1 ZINC000850378958 588542178 /nfs/dbraw/zinc/54/21/78/588542178.db2.gz CFJLJBOWAVHCPU-LLVKDONJSA-N 0 3 229.270 3.031 20 0 BGADHN Cc1cc(CNC[C@]2(C)CC2(F)F)c(C)o1 ZINC000850378959 588541865 /nfs/dbraw/zinc/54/18/65/588541865.db2.gz CFJLJBOWAVHCPU-NSHDSACASA-N 0 3 229.270 3.031 20 0 BGADHN Clc1ncccc1CNCCCC1CCC1 ZINC000850379044 588540555 /nfs/dbraw/zinc/54/05/55/588540555.db2.gz DLXOXNYUMDYPSM-UHFFFAOYSA-N 0 3 238.762 3.405 20 0 BGADHN CC[C@@H](NCc1cccnc1Cl)C1CC1 ZINC000850381340 588542820 /nfs/dbraw/zinc/54/28/20/588542820.db2.gz BMQGEWOUXQMTBW-LLVKDONJSA-N 0 3 224.735 3.013 20 0 BGADHN CC[C@H](NCc1cccnc1Cl)C1CC1 ZINC000850381341 588542522 /nfs/dbraw/zinc/54/25/22/588542522.db2.gz BMQGEWOUXQMTBW-NSHDSACASA-N 0 3 224.735 3.013 20 0 BGADHN CC[C@@](C)(NCc1cccnc1Cl)C1CC1 ZINC000850384195 588542611 /nfs/dbraw/zinc/54/26/11/588542611.db2.gz PYLPFBGHIIGMAL-CYBMUJFWSA-N 0 3 238.762 3.403 20 0 BGADHN CC[C@](C)(NCc1cccnc1Cl)C1CC1 ZINC000850384196 588542806 /nfs/dbraw/zinc/54/28/06/588542806.db2.gz PYLPFBGHIIGMAL-ZDUSSCGKSA-N 0 3 238.762 3.403 20 0 BGADHN CCSC1(CNCc2cc(C)oc2C)CC1 ZINC000850394097 588543825 /nfs/dbraw/zinc/54/38/25/588543825.db2.gz LHOBPEAANIETDS-UHFFFAOYSA-N 0 3 239.384 3.272 20 0 BGADHN Cc1cc(CNC[C@@H]2C(C)(C)C2(F)F)c(C)o1 ZINC000850394126 588543890 /nfs/dbraw/zinc/54/38/90/588543890.db2.gz MQLUWZWSEYJBHN-LLVKDONJSA-N 0 3 243.297 3.277 20 0 BGADHN Cc1cc(CNC[C@H]2C(C)(C)C2(F)F)c(C)o1 ZINC000850394187 588543608 /nfs/dbraw/zinc/54/36/08/588543608.db2.gz MQLUWZWSEYJBHN-NSHDSACASA-N 0 3 243.297 3.277 20 0 BGADHN CC(C)c1ncc(CNCC2=CCCC2)s1 ZINC000850395710 588543806 /nfs/dbraw/zinc/54/38/06/588543806.db2.gz KUPMNUOVEBOQHL-UHFFFAOYSA-N 0 3 236.384 3.466 20 0 BGADHN Cc1cc(CNCC2=CCCC2)c(C)o1 ZINC000850395989 588543998 /nfs/dbraw/zinc/54/39/98/588543998.db2.gz NEFWQLYRKUFCSD-UHFFFAOYSA-N 0 3 205.301 3.096 20 0 BGADHN Cc1cc(CNCC2=CCCC2)cnc1Cl ZINC000850396282 588543853 /nfs/dbraw/zinc/54/38/53/588543853.db2.gz SRLFCQOZMIKNTE-UHFFFAOYSA-N 0 3 236.746 3.243 20 0 BGADHN CCn1ccnc1CNC1CC2(C1)CCCCC2 ZINC000850396784 588543786 /nfs/dbraw/zinc/54/37/86/588543786.db2.gz OYIASEPZCWWYNJ-UHFFFAOYSA-N 0 3 247.386 3.106 20 0 BGADHN CC(C)[C@@H](NCc1cccnc1Cl)C1CC1 ZINC000850396838 588543886 /nfs/dbraw/zinc/54/38/86/588543886.db2.gz BIKQGOJACROVIG-GFCCVEGCSA-N 0 3 238.762 3.259 20 0 BGADHN CC(C)[C@H](NCc1cccnc1Cl)C1CC1 ZINC000850396839 588543764 /nfs/dbraw/zinc/54/37/64/588543764.db2.gz BIKQGOJACROVIG-LBPRGKRZSA-N 0 3 238.762 3.259 20 0 BGADHN Cc1cc(CN[C@]2(C)CC2(C)C)cnc1Cl ZINC000850398785 588544551 /nfs/dbraw/zinc/54/45/51/588544551.db2.gz CNMJEWBGCXRAOX-CYBMUJFWSA-N 0 3 238.762 3.322 20 0 BGADHN Cc1cc(CN[C@@]2(C)CC2(C)C)cnc1Cl ZINC000850398786 588541168 /nfs/dbraw/zinc/54/11/68/588541168.db2.gz CNMJEWBGCXRAOX-ZDUSSCGKSA-N 0 3 238.762 3.322 20 0 BGADHN CC1(C)C[C@@]1(C)NCc1ccc(Cl)nc1 ZINC000850399539 588544437 /nfs/dbraw/zinc/54/44/37/588544437.db2.gz MMMANYZBEAVNQI-GFCCVEGCSA-N 0 3 224.735 3.013 20 0 BGADHN CC1(C)C[C@]1(C)NCc1ccc(Cl)nc1 ZINC000850399540 588544529 /nfs/dbraw/zinc/54/45/29/588544529.db2.gz MMMANYZBEAVNQI-LBPRGKRZSA-N 0 3 224.735 3.013 20 0 BGADHN Cc1cc(CN[C@]2(C)CC2(C)C)c(C)o1 ZINC000850400026 588544220 /nfs/dbraw/zinc/54/42/20/588544220.db2.gz XSPWJRKAIRBRJA-CYBMUJFWSA-N 0 3 207.317 3.175 20 0 BGADHN Cc1cc(CN[C@@]2(C)CC2(C)C)c(C)o1 ZINC000850400027 588544446 /nfs/dbraw/zinc/54/44/46/588544446.db2.gz XSPWJRKAIRBRJA-ZDUSSCGKSA-N 0 3 207.317 3.175 20 0 BGADHN CC1(C)C[C@@]1(C)NCc1cccnc1Cl ZINC000850400119 588544190 /nfs/dbraw/zinc/54/41/90/588544190.db2.gz ZOJFNVLLXDTBTM-GFCCVEGCSA-N 0 3 224.735 3.013 20 0 BGADHN CC1(C)C[C@]1(C)NCc1cccnc1Cl ZINC000850400120 588544527 /nfs/dbraw/zinc/54/45/27/588544527.db2.gz ZOJFNVLLXDTBTM-LBPRGKRZSA-N 0 3 224.735 3.013 20 0 BGADHN CC(C)CC1(NCc2cccnc2Cl)CC1 ZINC000850404593 588544295 /nfs/dbraw/zinc/54/42/95/588544295.db2.gz OXFHARKYPFLQMB-UHFFFAOYSA-N 0 3 238.762 3.403 20 0 BGADHN CC(C)CC1(NCc2nc3ccccc3[nH]2)CC1 ZINC000850404864 588544612 /nfs/dbraw/zinc/54/46/12/588544612.db2.gz UGMAVIYPVPBAMR-UHFFFAOYSA-N 0 3 243.354 3.231 20 0 BGADHN CC(C)CC1(NCc2ccc(Cl)nc2)CC1 ZINC000850404865 588544409 /nfs/dbraw/zinc/54/44/09/588544409.db2.gz UGVBWJQEHQZSMP-UHFFFAOYSA-N 0 3 238.762 3.403 20 0 BGADHN Cc1nc(F)ccc1CNC1(CC(C)C)CC1 ZINC000850405016 588544596 /nfs/dbraw/zinc/54/45/96/588544596.db2.gz XYVGZSVHCYJPGV-UHFFFAOYSA-N 0 3 236.334 3.197 20 0 BGADHN Cc1cc(CNCCCc2ccco2)c(C)o1 ZINC000850407917 588544192 /nfs/dbraw/zinc/54/41/92/588544192.db2.gz SJXYOZJRSSKUSC-UHFFFAOYSA-N 0 3 233.311 3.212 20 0 BGADHN CC1(C)CC(NCc2cccnc2Cl)C1 ZINC000850415312 588545141 /nfs/dbraw/zinc/54/51/41/588545141.db2.gz GHHUKRWWZOIXAF-UHFFFAOYSA-N 0 3 224.735 3.013 20 0 BGADHN Cc1cc(CNC2CC(C)(C)C2)cnc1Cl ZINC000850415501 588544953 /nfs/dbraw/zinc/54/49/53/588544953.db2.gz KLFPDVBKYFJVSD-UHFFFAOYSA-N 0 3 238.762 3.322 20 0 BGADHN CC1(C)[C@H]2CCC[C@H]2[C@@H]1NCc1cccc(F)n1 ZINC000850449401 588547716 /nfs/dbraw/zinc/54/77/16/588547716.db2.gz ZHOYNHRIXHTBML-DYEKYZERSA-N 0 3 248.345 3.135 20 0 BGADHN CC1(C)[C@H](NCc2cccc(F)n2)[C@@H]2CCC[C@@H]21 ZINC000850449403 588547669 /nfs/dbraw/zinc/54/76/69/588547669.db2.gz ZHOYNHRIXHTBML-MBNYWOFBSA-N 0 3 248.345 3.135 20 0 BGADHN CC1(C)[C@H]2CCC[C@H]2[C@@H]1NCc1cccnc1F ZINC000850467161 588548312 /nfs/dbraw/zinc/54/83/12/588548312.db2.gz RAZVFVIHMFLOJU-AGIUHOORSA-N 0 3 248.345 3.135 20 0 BGADHN CC1(C)[C@H](NCc2cccnc2F)[C@@H]2CCC[C@@H]21 ZINC000850467162 588548485 /nfs/dbraw/zinc/54/84/85/588548485.db2.gz RAZVFVIHMFLOJU-FRRDWIJNSA-N 0 3 248.345 3.135 20 0 BGADHN C[C@@H](CC1CCC1)NCc1cccnc1Cl ZINC000850499394 588552233 /nfs/dbraw/zinc/55/22/33/588552233.db2.gz OMSPZEPPODENMC-JTQLQIEISA-N 0 3 238.762 3.403 20 0 BGADHN C[C@H](CC1CCC1)NCc1cccnc1Cl ZINC000850499395 588552314 /nfs/dbraw/zinc/55/23/14/588552314.db2.gz OMSPZEPPODENMC-SNVBAGLBSA-N 0 3 238.762 3.403 20 0 BGADHN Clc1ncccc1CN[C@@H]1CCCC12CC2 ZINC000850499632 588552031 /nfs/dbraw/zinc/55/20/31/588552031.db2.gz SXPSFBJVYKAVHA-LLVKDONJSA-N 0 3 236.746 3.157 20 0 BGADHN Clc1ncccc1CN[C@H]1CCCC12CC2 ZINC000850499633 588551961 /nfs/dbraw/zinc/55/19/61/588551961.db2.gz SXPSFBJVYKAVHA-NSHDSACASA-N 0 3 236.746 3.157 20 0 BGADHN COc1ccc2c(c1F)CC[C@@H]2N[C@H]1C=CCC1 ZINC000850505979 588552596 /nfs/dbraw/zinc/55/25/96/588552596.db2.gz AJMWBCAEPHNFRW-GWCFXTLKSA-N 0 3 247.313 3.130 20 0 BGADHN COc1ccc2c(c1F)CC[C@H]2N[C@H]1C=CCC1 ZINC000850505980 588552590 /nfs/dbraw/zinc/55/25/90/588552590.db2.gz AJMWBCAEPHNFRW-GXFFZTMASA-N 0 3 247.313 3.130 20 0 BGADHN COc1ccc2c(c1F)CC[C@@H]2N[C@@H]1C=CCC1 ZINC000850505981 588552614 /nfs/dbraw/zinc/55/26/14/588552614.db2.gz AJMWBCAEPHNFRW-MFKMUULPSA-N 0 3 247.313 3.130 20 0 BGADHN COc1ccc2c(c1F)CC[C@H]2N[C@@H]1C=CCC1 ZINC000850505982 588552666 /nfs/dbraw/zinc/55/26/66/588552666.db2.gz AJMWBCAEPHNFRW-ZWNOBZJWSA-N 0 3 247.313 3.130 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2C=CCC2)oc1C ZINC000850506249 588553303 /nfs/dbraw/zinc/55/33/03/588553303.db2.gz DAWZRXFHPMVAFD-CMPLNLGQSA-N 0 3 205.301 3.266 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2C=CCC2)oc1C ZINC000850506250 588553558 /nfs/dbraw/zinc/55/35/58/588553558.db2.gz DAWZRXFHPMVAFD-JQWIXIFHSA-N 0 3 205.301 3.266 20 0 BGADHN Cc1cc([C@@H](C)N[C@H]2C=CCC2)oc1C ZINC000850506251 588553340 /nfs/dbraw/zinc/55/33/40/588553340.db2.gz DAWZRXFHPMVAFD-PWSUYJOCSA-N 0 3 205.301 3.266 20 0 BGADHN Cc1cc([C@@H](C)N[C@@H]2C=CCC2)oc1C ZINC000850506252 588553161 /nfs/dbraw/zinc/55/31/61/588553161.db2.gz DAWZRXFHPMVAFD-ZYHUDNBSSA-N 0 3 205.301 3.266 20 0 BGADHN C[C@@H](NCC1C[C@H](C)C[C@@H](C)C1)c1ncc[nH]1 ZINC000850506322 588553376 /nfs/dbraw/zinc/55/33/76/588553376.db2.gz IRJBXGCXTLRXNA-IJLUTSLNSA-N 0 3 235.375 3.133 20 0 BGADHN C[C@H](NC[C@H]1C[C@H](C)C[C@H](C)C1)c1ncc[nH]1 ZINC000850506323 588553368 /nfs/dbraw/zinc/55/33/68/588553368.db2.gz IRJBXGCXTLRXNA-QNWHQSFQSA-N 0 3 235.375 3.133 20 0 BGADHN C[C@H](NCC1C[C@H](C)C[C@@H](C)C1)c1ncc[nH]1 ZINC000850506324 588553374 /nfs/dbraw/zinc/55/33/74/588553374.db2.gz IRJBXGCXTLRXNA-UTUOFQBUSA-N 0 3 235.375 3.133 20 0 BGADHN C[C@@H](NC[C@H]1C[C@H](C)C[C@H](C)C1)c1ncc[nH]1 ZINC000850506325 588553103 /nfs/dbraw/zinc/55/31/03/588553103.db2.gz IRJBXGCXTLRXNA-XQHKEYJVSA-N 0 3 235.375 3.133 20 0 BGADHN C[C@H](N[C@@H]1C=CCC1)c1ccnc(Cl)c1 ZINC000850506385 588553392 /nfs/dbraw/zinc/55/33/92/588553392.db2.gz AGUONVKINOHULA-GXSJLCMTSA-N 0 3 222.719 3.104 20 0 BGADHN C[C@@H](N[C@H]1C=CCC1)c1ccnc(Cl)c1 ZINC000850506386 588553146 /nfs/dbraw/zinc/55/31/46/588553146.db2.gz AGUONVKINOHULA-KOLCDFICSA-N 0 3 222.719 3.104 20 0 BGADHN C[C@@H](N[C@@H]1C=CCC1)c1ccnc(Cl)c1 ZINC000850506387 588553358 /nfs/dbraw/zinc/55/33/58/588553358.db2.gz AGUONVKINOHULA-MWLCHTKSSA-N 0 3 222.719 3.104 20 0 BGADHN C[C@H](N[C@H]1C=CCC1)c1ccnc(Cl)c1 ZINC000850506388 588553207 /nfs/dbraw/zinc/55/32/07/588553207.db2.gz AGUONVKINOHULA-ONGXEEELSA-N 0 3 222.719 3.104 20 0 BGADHN COc1ccsc1[C@@H](C)N[C@@H]1C=CCC1 ZINC000850506413 588553325 /nfs/dbraw/zinc/55/33/25/588553325.db2.gz AOLKCONYWHDPHG-NXEZZACHSA-N 0 3 223.341 3.126 20 0 BGADHN COc1ccsc1[C@H](C)N[C@H]1C=CCC1 ZINC000850506414 588553512 /nfs/dbraw/zinc/55/35/12/588553512.db2.gz AOLKCONYWHDPHG-UWVGGRQHSA-N 0 3 223.341 3.126 20 0 BGADHN COc1ccsc1[C@H](C)N[C@@H]1C=CCC1 ZINC000850506415 588553356 /nfs/dbraw/zinc/55/33/56/588553356.db2.gz AOLKCONYWHDPHG-VHSXEESVSA-N 0 3 223.341 3.126 20 0 BGADHN COc1ccsc1[C@@H](C)N[C@H]1C=CCC1 ZINC000850506416 588553306 /nfs/dbraw/zinc/55/33/06/588553306.db2.gz AOLKCONYWHDPHG-ZJUUUORDSA-N 0 3 223.341 3.126 20 0 BGADHN Fc1ccc2c(c1)[C@H](N[C@H]1C=CCC1)CCCO2 ZINC000850506425 588553419 /nfs/dbraw/zinc/55/34/19/588553419.db2.gz AQCADLPZLFHOKS-GXTWGEPZSA-N 0 3 247.313 3.348 20 0 BGADHN Fc1ccc2c(c1)[C@@H](N[C@H]1C=CCC1)CCCO2 ZINC000850506426 588553563 /nfs/dbraw/zinc/55/35/63/588553563.db2.gz AQCADLPZLFHOKS-JSGCOSHPSA-N 0 3 247.313 3.348 20 0 BGADHN Fc1ccc2c(c1)[C@@H](N[C@@H]1C=CCC1)CCCO2 ZINC000850506427 588553316 /nfs/dbraw/zinc/55/33/16/588553316.db2.gz AQCADLPZLFHOKS-OCCSQVGLSA-N 0 3 247.313 3.348 20 0 BGADHN Fc1ccc2c(c1)[C@H](N[C@@H]1C=CCC1)CCCO2 ZINC000850506428 588553468 /nfs/dbraw/zinc/55/34/68/588553468.db2.gz AQCADLPZLFHOKS-TZMCWYRMSA-N 0 3 247.313 3.348 20 0 BGADHN Fc1ccc2c(c1)OCCC[C@H]2N[C@H]1C=CCC1 ZINC000850506429 588553573 /nfs/dbraw/zinc/55/35/73/588553573.db2.gz AUFQNKWDBGNDGO-GXTWGEPZSA-N 0 3 247.313 3.348 20 0 BGADHN Fc1ccc2c(c1)OCCC[C@@H]2N[C@H]1C=CCC1 ZINC000850506430 588553263 /nfs/dbraw/zinc/55/32/63/588553263.db2.gz AUFQNKWDBGNDGO-JSGCOSHPSA-N 0 3 247.313 3.348 20 0 BGADHN Fc1ccc2c(c1)OCCC[C@@H]2N[C@@H]1C=CCC1 ZINC000850506431 588553552 /nfs/dbraw/zinc/55/35/52/588553552.db2.gz AUFQNKWDBGNDGO-OCCSQVGLSA-N 0 3 247.313 3.348 20 0 BGADHN Fc1ccc2c(c1)OCCC[C@H]2N[C@@H]1C=CCC1 ZINC000850506432 588553370 /nfs/dbraw/zinc/55/33/70/588553370.db2.gz AUFQNKWDBGNDGO-TZMCWYRMSA-N 0 3 247.313 3.348 20 0 BGADHN Cc1ccc([C@@H](C)N[C@@H]2C=CCC2)c(C)n1 ZINC000850506820 588553237 /nfs/dbraw/zinc/55/32/37/588553237.db2.gz BVFNBHDLIPLECA-CHWSQXEVSA-N 0 3 216.328 3.068 20 0 BGADHN Cc1ccc([C@@H](C)N[C@H]2C=CCC2)c(C)n1 ZINC000850506821 588553415 /nfs/dbraw/zinc/55/34/15/588553415.db2.gz BVFNBHDLIPLECA-OLZOCXBDSA-N 0 3 216.328 3.068 20 0 BGADHN C[C@@H](N[C@@H]1C=CCC1)c1ccccc1N(C)C ZINC000850506861 588553338 /nfs/dbraw/zinc/55/33/38/588553338.db2.gz CBXYRPPXLIJATF-CHWSQXEVSA-N 0 3 230.355 3.122 20 0 BGADHN C[C@@H](N[C@H]1C=CCC1)c1ccccc1N(C)C ZINC000850506864 588553364 /nfs/dbraw/zinc/55/33/64/588553364.db2.gz CBXYRPPXLIJATF-OLZOCXBDSA-N 0 3 230.355 3.122 20 0 BGADHN C[C@H](N[C@@H]1C=CCC1)c1ccccc1N(C)C ZINC000850506865 588553569 /nfs/dbraw/zinc/55/35/69/588553569.db2.gz CBXYRPPXLIJATF-QWHCGFSZSA-N 0 3 230.355 3.122 20 0 BGADHN C[C@H](N[C@H]1C=CCC1)c1ccccc1N(C)C ZINC000850506868 588553329 /nfs/dbraw/zinc/55/33/29/588553329.db2.gz CBXYRPPXLIJATF-STQMWFEESA-N 0 3 230.355 3.122 20 0 BGADHN Cc1c([C@H](C)N[C@H]2C=CCC2)cnn1C(C)C ZINC000850507038 588553142 /nfs/dbraw/zinc/55/31/42/588553142.db2.gz DIYNAVXTRFJUDB-AAEUAGOBSA-N 0 3 233.359 3.142 20 0 BGADHN Cc1c([C@@H](C)N[C@@H]2C=CCC2)cnn1C(C)C ZINC000850507041 588553498 /nfs/dbraw/zinc/55/34/98/588553498.db2.gz DIYNAVXTRFJUDB-DGCLKSJQSA-N 0 3 233.359 3.142 20 0 BGADHN Cc1c([C@H](C)N[C@@H]2C=CCC2)cnn1C(C)C ZINC000850507044 588553173 /nfs/dbraw/zinc/55/31/73/588553173.db2.gz DIYNAVXTRFJUDB-WCQYABFASA-N 0 3 233.359 3.142 20 0 BGADHN Cc1c([C@@H](C)N[C@H]2C=CCC2)cnn1C(C)C ZINC000850507047 588553434 /nfs/dbraw/zinc/55/34/34/588553434.db2.gz DIYNAVXTRFJUDB-YPMHNXCESA-N 0 3 233.359 3.142 20 0 BGADHN CC(=O)Nc1ccc([C@@H](C)N[C@@H]2C=CCC2)cc1 ZINC000850507173 588553169 /nfs/dbraw/zinc/55/31/69/588553169.db2.gz DMCYIEGODUHNGZ-BXUZGUMPSA-N 0 3 244.338 3.014 20 0 BGADHN CC(=O)Nc1ccc([C@H](C)N[C@H]2C=CCC2)cc1 ZINC000850507174 588553620 /nfs/dbraw/zinc/55/36/20/588553620.db2.gz DMCYIEGODUHNGZ-FZMZJTMJSA-N 0 3 244.338 3.014 20 0 BGADHN CC(=O)Nc1ccc([C@@H](C)N[C@H]2C=CCC2)cc1 ZINC000850507176 588553098 /nfs/dbraw/zinc/55/30/98/588553098.db2.gz DMCYIEGODUHNGZ-RISCZKNCSA-N 0 3 244.338 3.014 20 0 BGADHN CC(=O)Nc1ccc([C@H](C)N[C@@H]2C=CCC2)cc1 ZINC000850507177 588553250 /nfs/dbraw/zinc/55/32/50/588553250.db2.gz DMCYIEGODUHNGZ-SMDDNHRTSA-N 0 3 244.338 3.014 20 0 BGADHN C[C@H](N[C@@H]1C=CCC1)c1ccc(Cl)nc1 ZINC000850507250 588553151 /nfs/dbraw/zinc/55/31/51/588553151.db2.gz DVMMYTJDFSWHGW-GXSJLCMTSA-N 0 3 222.719 3.104 20 0 BGADHN C[C@@H](N[C@H]1C=CCC1)c1ccc(Cl)nc1 ZINC000850507251 588553506 /nfs/dbraw/zinc/55/35/06/588553506.db2.gz DVMMYTJDFSWHGW-KOLCDFICSA-N 0 3 222.719 3.104 20 0 BGADHN C[C@@H](N[C@@H]1C=CCC1)c1ccc(Cl)nc1 ZINC000850507252 588553112 /nfs/dbraw/zinc/55/31/12/588553112.db2.gz DVMMYTJDFSWHGW-MWLCHTKSSA-N 0 3 222.719 3.104 20 0 BGADHN C[C@H](N[C@H]1C=CCC1)c1ccc(Cl)nc1 ZINC000850507253 588553309 /nfs/dbraw/zinc/55/33/09/588553309.db2.gz DVMMYTJDFSWHGW-ONGXEEELSA-N 0 3 222.719 3.104 20 0 BGADHN C[C@@H](N[C@H]1C=CCC1)c1ccc2c(c1)CCCO2 ZINC000850507601 588553911 /nfs/dbraw/zinc/55/39/11/588553911.db2.gz KDRDXFNRJBMSBT-DOMZBBRYSA-N 0 3 243.350 3.381 20 0 BGADHN C[C@@H](N[C@@H]1C=CCC1)c1ccc2c(c1)CCCO2 ZINC000850507602 588553922 /nfs/dbraw/zinc/55/39/22/588553922.db2.gz KDRDXFNRJBMSBT-IUODEOHRSA-N 0 3 243.350 3.381 20 0 BGADHN C[C@H](N[C@@H]1C=CCC1)c1ccc2c(c1)CCCO2 ZINC000850507603 588554251 /nfs/dbraw/zinc/55/42/51/588554251.db2.gz KDRDXFNRJBMSBT-SWLSCSKDSA-N 0 3 243.350 3.381 20 0 BGADHN C[C@H](N[C@H]1C=CCC1)c1ccc2c(c1)CCCO2 ZINC000850507641 588553852 /nfs/dbraw/zinc/55/38/52/588553852.db2.gz KDRDXFNRJBMSBT-WFASDCNBSA-N 0 3 243.350 3.381 20 0 BGADHN C1=C[C@H](N[C@@H]2CSCCc3ccccc32)CC1 ZINC000850507676 588554111 /nfs/dbraw/zinc/55/41/11/588554111.db2.gz GJFUKCIGTNSZQN-DZGCQCFKSA-N 0 3 245.391 3.325 20 0 BGADHN C1=C[C@@H](N[C@H]2CSCCc3ccccc32)CC1 ZINC000850507678 588554162 /nfs/dbraw/zinc/55/41/62/588554162.db2.gz GJFUKCIGTNSZQN-HIFRSBDPSA-N 0 3 245.391 3.325 20 0 BGADHN C1=C[C@@H](N[C@@H]2CSCCc3ccccc32)CC1 ZINC000850507681 588554054 /nfs/dbraw/zinc/55/40/54/588554054.db2.gz GJFUKCIGTNSZQN-UKRRQHHQSA-N 0 3 245.391 3.325 20 0 BGADHN C1=C[C@H](N[C@H]2CSCCc3ccccc32)CC1 ZINC000850507684 588554131 /nfs/dbraw/zinc/55/41/31/588554131.db2.gz GJFUKCIGTNSZQN-ZFWWWQNUSA-N 0 3 245.391 3.325 20 0 BGADHN C1=C[C@@H](N[C@H](c2cccnc2)C2CCC2)CC1 ZINC000850507798 588554210 /nfs/dbraw/zinc/55/42/10/588554210.db2.gz GSACMQAQTKRZAM-CABCVRRESA-N 0 3 228.339 3.231 20 0 BGADHN C1=C[C@H](N[C@H](c2cccnc2)C2CCC2)CC1 ZINC000850507806 588553946 /nfs/dbraw/zinc/55/39/46/588553946.db2.gz GSACMQAQTKRZAM-GJZGRUSLSA-N 0 3 228.339 3.231 20 0 BGADHN C1=C[C@@H](N[C@@H](c2cccnc2)C2CCC2)CC1 ZINC000850507808 588553772 /nfs/dbraw/zinc/55/37/72/588553772.db2.gz GSACMQAQTKRZAM-HUUCEWRRSA-N 0 3 228.339 3.231 20 0 BGADHN C1=C[C@H](N[C@@H](c2cccnc2)C2CCC2)CC1 ZINC000850507810 588553764 /nfs/dbraw/zinc/55/37/64/588553764.db2.gz GSACMQAQTKRZAM-LSDHHAIUSA-N 0 3 228.339 3.231 20 0 BGADHN Cc1nc2c(s1)[C@H](N[C@H]1C=CCC1)CCC2 ZINC000850508020 588553971 /nfs/dbraw/zinc/55/39/71/588553971.db2.gz HMYMDVOVOAONGU-CMPLNLGQSA-N 0 3 234.368 3.137 20 0 BGADHN Cc1nc2c(s1)[C@@H](N[C@H]1C=CCC1)CCC2 ZINC000850508031 588554186 /nfs/dbraw/zinc/55/41/86/588554186.db2.gz HMYMDVOVOAONGU-JQWIXIFHSA-N 0 3 234.368 3.137 20 0 BGADHN Cc1nc2c(s1)[C@@H](N[C@@H]1C=CCC1)CCC2 ZINC000850508033 588553875 /nfs/dbraw/zinc/55/38/75/588553875.db2.gz HMYMDVOVOAONGU-PWSUYJOCSA-N 0 3 234.368 3.137 20 0 BGADHN Cc1nc2c(s1)[C@H](N[C@@H]1C=CCC1)CCC2 ZINC000850508036 588553906 /nfs/dbraw/zinc/55/39/06/588553906.db2.gz HMYMDVOVOAONGU-ZYHUDNBSSA-N 0 3 234.368 3.137 20 0 BGADHN C1=C[C@@H](N[C@H]2CCCNc3ccccc32)CC1 ZINC000850508204 588554197 /nfs/dbraw/zinc/55/41/97/588554197.db2.gz IFQODNBPPWENLM-DOMZBBRYSA-N 0 3 228.339 3.242 20 0 BGADHN C1=C[C@@H](N[C@@H]2CCCNc3ccccc32)CC1 ZINC000850508205 588554041 /nfs/dbraw/zinc/55/40/41/588554041.db2.gz IFQODNBPPWENLM-IUODEOHRSA-N 0 3 228.339 3.242 20 0 BGADHN C1=C[C@H](N[C@@H]2CCCNc3ccccc32)CC1 ZINC000850508207 588554078 /nfs/dbraw/zinc/55/40/78/588554078.db2.gz IFQODNBPPWENLM-SWLSCSKDSA-N 0 3 228.339 3.242 20 0 BGADHN C1=C[C@H](N[C@H]2CCCNc3ccccc32)CC1 ZINC000850508209 588553991 /nfs/dbraw/zinc/55/39/91/588553991.db2.gz IFQODNBPPWENLM-WFASDCNBSA-N 0 3 228.339 3.242 20 0 BGADHN CCc1ccc([C@@H](C)N[C@@H]2C=CCC2)o1 ZINC000850508217 588554121 /nfs/dbraw/zinc/55/41/21/588554121.db2.gz IPGLKSRUNIEPJA-GHMZBOCLSA-N 0 3 205.301 3.211 20 0 BGADHN CCc1ccc([C@@H](C)N[C@H]2C=CCC2)o1 ZINC000850508219 588554088 /nfs/dbraw/zinc/55/40/88/588554088.db2.gz IPGLKSRUNIEPJA-MNOVXSKESA-N 0 3 205.301 3.211 20 0 BGADHN CCc1ccc([C@H](C)N[C@H]2C=CCC2)o1 ZINC000850508221 588554290 /nfs/dbraw/zinc/55/42/90/588554290.db2.gz IPGLKSRUNIEPJA-QWRGUYRKSA-N 0 3 205.301 3.211 20 0 BGADHN CCc1ccc([C@H](C)N[C@@H]2C=CCC2)o1 ZINC000850508222 588553802 /nfs/dbraw/zinc/55/38/02/588553802.db2.gz IPGLKSRUNIEPJA-WDEREUQCSA-N 0 3 205.301 3.211 20 0 BGADHN CCC[C@H](N[C@H]1C=CCC1)c1cccnc1 ZINC000850508230 588553861 /nfs/dbraw/zinc/55/38/61/588553861.db2.gz IWTWNPXQQZGXBR-KBPBESRZSA-N 0 3 216.328 3.231 20 0 BGADHN CCC[C@H](N[C@@H]1C=CCC1)c1cccnc1 ZINC000850508232 588553977 /nfs/dbraw/zinc/55/39/77/588553977.db2.gz IWTWNPXQQZGXBR-KGLIPLIRSA-N 0 3 216.328 3.231 20 0 BGADHN CCC[C@@H](N[C@H]1C=CCC1)c1cccnc1 ZINC000850508233 588553925 /nfs/dbraw/zinc/55/39/25/588553925.db2.gz IWTWNPXQQZGXBR-UONOGXRCSA-N 0 3 216.328 3.231 20 0 BGADHN CCC[C@@H](N[C@@H]1C=CCC1)c1cccnc1 ZINC000850508235 588554023 /nfs/dbraw/zinc/55/40/23/588554023.db2.gz IWTWNPXQQZGXBR-ZIAGYGMSSA-N 0 3 216.328 3.231 20 0 BGADHN COc1ccc([C@@H](C)N[C@@H]2C=CCC2)c(C)c1 ZINC000850508370 588553915 /nfs/dbraw/zinc/55/39/15/588553915.db2.gz MZXBGMWQYUOZQY-CHWSQXEVSA-N 0 3 231.339 3.373 20 0 BGADHN COc1ccc([C@@H](C)N[C@H]2C=CCC2)c(C)c1 ZINC000850508371 588553870 /nfs/dbraw/zinc/55/38/70/588553870.db2.gz MZXBGMWQYUOZQY-OLZOCXBDSA-N 0 3 231.339 3.373 20 0 BGADHN COc1ccc([C@H](C)N[C@@H]2C=CCC2)c(C)c1 ZINC000850508372 588553865 /nfs/dbraw/zinc/55/38/65/588553865.db2.gz MZXBGMWQYUOZQY-QWHCGFSZSA-N 0 3 231.339 3.373 20 0 BGADHN COc1ccc([C@H](C)N[C@H]2C=CCC2)c(C)c1 ZINC000850508373 588554230 /nfs/dbraw/zinc/55/42/30/588554230.db2.gz MZXBGMWQYUOZQY-STQMWFEESA-N 0 3 231.339 3.373 20 0 BGADHN Cc1c([C@H](C)N[C@H]2C=CCC2)cnn1C(C)(C)C ZINC000850508467 588554267 /nfs/dbraw/zinc/55/42/67/588554267.db2.gz JBNUPUAUIHHBFM-AAEUAGOBSA-N 0 3 247.386 3.316 20 0 BGADHN Cc1c([C@@H](C)N[C@@H]2C=CCC2)cnn1C(C)(C)C ZINC000850508468 588553980 /nfs/dbraw/zinc/55/39/80/588553980.db2.gz JBNUPUAUIHHBFM-DGCLKSJQSA-N 0 3 247.386 3.316 20 0 BGADHN Cc1c([C@H](C)N[C@@H]2C=CCC2)cnn1C(C)(C)C ZINC000850508470 588554153 /nfs/dbraw/zinc/55/41/53/588554153.db2.gz JBNUPUAUIHHBFM-WCQYABFASA-N 0 3 247.386 3.316 20 0 BGADHN Cc1c([C@@H](C)N[C@H]2C=CCC2)cnn1C(C)(C)C ZINC000850508471 588554026 /nfs/dbraw/zinc/55/40/26/588554026.db2.gz JBNUPUAUIHHBFM-YPMHNXCESA-N 0 3 247.386 3.316 20 0 BGADHN C1=C[C@H](N[C@@H]2CCCOc3ccccc32)CC1 ZINC000850508501 588553963 /nfs/dbraw/zinc/55/39/63/588553963.db2.gz JIFLOHVWODLYHD-GXTWGEPZSA-N 0 3 229.323 3.209 20 0 BGADHN C1=C[C@H](N[C@H]2CCCOc3ccccc32)CC1 ZINC000850508502 588553889 /nfs/dbraw/zinc/55/38/89/588553889.db2.gz JIFLOHVWODLYHD-JSGCOSHPSA-N 0 3 229.323 3.209 20 0 BGADHN C1=C[C@@H](N[C@H]2CCCOc3ccccc32)CC1 ZINC000850508503 588554246 /nfs/dbraw/zinc/55/42/46/588554246.db2.gz JIFLOHVWODLYHD-OCCSQVGLSA-N 0 3 229.323 3.209 20 0 BGADHN C1=C[C@@H](N[C@@H]2CCCOc3ccccc32)CC1 ZINC000850508504 588554166 /nfs/dbraw/zinc/55/41/66/588554166.db2.gz JIFLOHVWODLYHD-TZMCWYRMSA-N 0 3 229.323 3.209 20 0 BGADHN C[C@H](N[C@H]1C=CCC1)c1ccc(F)cc1N(C)C ZINC000850508535 588554125 /nfs/dbraw/zinc/55/41/25/588554125.db2.gz KBUVKGDCXBBKEK-AAEUAGOBSA-N 0 3 248.345 3.261 20 0 BGADHN C[C@@H](N[C@@H]1C=CCC1)c1ccc(F)cc1N(C)C ZINC000850508536 588554294 /nfs/dbraw/zinc/55/42/94/588554294.db2.gz KBUVKGDCXBBKEK-DGCLKSJQSA-N 0 3 248.345 3.261 20 0 BGADHN C[C@H](N[C@@H]1C=CCC1)c1ccc(F)cc1N(C)C ZINC000850508537 588554115 /nfs/dbraw/zinc/55/41/15/588554115.db2.gz KBUVKGDCXBBKEK-WCQYABFASA-N 0 3 248.345 3.261 20 0 BGADHN C[C@@H](N[C@H]1C=CCC1)c1ccc(F)cc1N(C)C ZINC000850508538 588554044 /nfs/dbraw/zinc/55/40/44/588554044.db2.gz KBUVKGDCXBBKEK-YPMHNXCESA-N 0 3 248.345 3.261 20 0 BGADHN C1=C[C@H](N[C@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000850508899 588553856 /nfs/dbraw/zinc/55/38/56/588553856.db2.gz LATCSWYHDXHQJI-KBPBESRZSA-N 0 3 245.370 3.339 20 0 BGADHN C1=C[C@@H](N[C@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000850508900 588553779 /nfs/dbraw/zinc/55/37/79/588553779.db2.gz LATCSWYHDXHQJI-KGLIPLIRSA-N 0 3 245.370 3.339 20 0 BGADHN C1=C[C@H](N[C@@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000850508901 588553893 /nfs/dbraw/zinc/55/38/93/588553893.db2.gz LATCSWYHDXHQJI-UONOGXRCSA-N 0 3 245.370 3.339 20 0 BGADHN C1=C[C@@H](N[C@@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000850508902 588554276 /nfs/dbraw/zinc/55/42/76/588554276.db2.gz LATCSWYHDXHQJI-ZIAGYGMSSA-N 0 3 245.370 3.339 20 0 BGADHN Oc1cccc2c1CCC[C@H]2N[C@@H]1C=CCC1 ZINC000850508927 588553783 /nfs/dbraw/zinc/55/37/83/588553783.db2.gz LVLWUEPAOWOHSK-BXUZGUMPSA-N 0 3 229.323 3.078 20 0 BGADHN Oc1cccc2c1CCC[C@@H]2N[C@H]1C=CCC1 ZINC000850508928 588554029 /nfs/dbraw/zinc/55/40/29/588554029.db2.gz LVLWUEPAOWOHSK-FZMZJTMJSA-N 0 3 229.323 3.078 20 0 BGADHN Oc1cccc2c1CCC[C@@H]2N[C@@H]1C=CCC1 ZINC000850508929 588554588 /nfs/dbraw/zinc/55/45/88/588554588.db2.gz LVLWUEPAOWOHSK-RISCZKNCSA-N 0 3 229.323 3.078 20 0 BGADHN Oc1cccc2c1CCC[C@H]2N[C@H]1C=CCC1 ZINC000850508930 588554765 /nfs/dbraw/zinc/55/47/65/588554765.db2.gz LVLWUEPAOWOHSK-SMDDNHRTSA-N 0 3 229.323 3.078 20 0 BGADHN CC(C)C[C@@H](N[C@H]1C=CCC1)c1ccccn1 ZINC000850509613 588554580 /nfs/dbraw/zinc/55/45/80/588554580.db2.gz OPBSBOGNJPEBFS-DZGCQCFKSA-N 0 3 230.355 3.477 20 0 BGADHN CC(C)C[C@H](N[C@@H]1C=CCC1)c1ccccn1 ZINC000850509615 588554774 /nfs/dbraw/zinc/55/47/74/588554774.db2.gz OPBSBOGNJPEBFS-HIFRSBDPSA-N 0 3 230.355 3.477 20 0 BGADHN CC(C)C[C@@H](N[C@@H]1C=CCC1)c1ccccn1 ZINC000850509617 588554519 /nfs/dbraw/zinc/55/45/19/588554519.db2.gz OPBSBOGNJPEBFS-UKRRQHHQSA-N 0 3 230.355 3.477 20 0 BGADHN CC(C)C[C@H](N[C@H]1C=CCC1)c1ccccn1 ZINC000850509619 588554757 /nfs/dbraw/zinc/55/47/57/588554757.db2.gz OPBSBOGNJPEBFS-ZFWWWQNUSA-N 0 3 230.355 3.477 20 0 BGADHN C[C@H](N[C@@H]1C=CCC1)c1cc2cnccc2o1 ZINC000850509854 588554602 /nfs/dbraw/zinc/55/46/02/588554602.db2.gz UIMUQIAJUCJGCY-CMPLNLGQSA-N 0 3 228.295 3.197 20 0 BGADHN C[C@H](N[C@H]1C=CCC1)c1cc2cnccc2o1 ZINC000850509855 588554428 /nfs/dbraw/zinc/55/44/28/588554428.db2.gz UIMUQIAJUCJGCY-JQWIXIFHSA-N 0 3 228.295 3.197 20 0 BGADHN C[C@@H](N[C@H]1C=CCC1)c1cc2cnccc2o1 ZINC000850509856 588554627 /nfs/dbraw/zinc/55/46/27/588554627.db2.gz UIMUQIAJUCJGCY-PWSUYJOCSA-N 0 3 228.295 3.197 20 0 BGADHN C[C@@H](N[C@@H]1C=CCC1)c1cc2cnccc2o1 ZINC000850509857 588554632 /nfs/dbraw/zinc/55/46/32/588554632.db2.gz UIMUQIAJUCJGCY-ZYHUDNBSSA-N 0 3 228.295 3.197 20 0 BGADHN C[C@H](N[C@@H]1C=CCC1)c1ccc(C(F)F)nc1 ZINC000850510110 582923560 /nfs/dbraw/zinc/92/35/60/582923560.db2.gz VDBIBOLONNEPKM-GXSJLCMTSA-N 0 3 238.281 3.388 20 0 BGADHN C[C@@H](N[C@H]1C=CCC1)c1ccc(C(F)F)nc1 ZINC000850510111 582922774 /nfs/dbraw/zinc/92/27/74/582922774.db2.gz VDBIBOLONNEPKM-KOLCDFICSA-N 0 3 238.281 3.388 20 0 BGADHN C[C@@H](N[C@@H]1C=CCC1)c1ccc(C(F)F)nc1 ZINC000850510112 582923109 /nfs/dbraw/zinc/92/31/09/582923109.db2.gz VDBIBOLONNEPKM-MWLCHTKSSA-N 0 3 238.281 3.388 20 0 BGADHN C[C@H](N[C@H]1C=CCC1)c1ccc(C(F)F)nc1 ZINC000850510113 582922964 /nfs/dbraw/zinc/92/29/64/582922964.db2.gz VDBIBOLONNEPKM-ONGXEEELSA-N 0 3 238.281 3.388 20 0 BGADHN CCC[C@@H](N[C@H]1C=CCC1)c1ccccn1 ZINC000850510285 588554858 /nfs/dbraw/zinc/55/48/58/588554858.db2.gz SAGLCUJVTWGQLA-GXTWGEPZSA-N 0 3 216.328 3.231 20 0 BGADHN CCC[C@H](N[C@H]1C=CCC1)c1ccccn1 ZINC000850510286 588554562 /nfs/dbraw/zinc/55/45/62/588554562.db2.gz SAGLCUJVTWGQLA-JSGCOSHPSA-N 0 3 216.328 3.231 20 0 BGADHN CCC[C@H](N[C@@H]1C=CCC1)c1ccccn1 ZINC000850510287 588554442 /nfs/dbraw/zinc/55/44/42/588554442.db2.gz SAGLCUJVTWGQLA-OCCSQVGLSA-N 0 3 216.328 3.231 20 0 BGADHN CCC[C@@H](N[C@@H]1C=CCC1)c1ccccn1 ZINC000850510288 588554407 /nfs/dbraw/zinc/55/44/07/588554407.db2.gz SAGLCUJVTWGQLA-TZMCWYRMSA-N 0 3 216.328 3.231 20 0 BGADHN CO[C@H](c1ccccc1)[C@H](C)N[C@@H]1C=CCC1 ZINC000850510303 588554516 /nfs/dbraw/zinc/55/45/16/588554516.db2.gz SGNURWRABIQVRG-CFVMTHIKSA-N 0 3 231.339 3.071 20 0 BGADHN CO[C@H](c1ccccc1)[C@H](C)N[C@H]1C=CCC1 ZINC000850510305 588554521 /nfs/dbraw/zinc/55/45/21/588554521.db2.gz SGNURWRABIQVRG-QEJZJMRPSA-N 0 3 231.339 3.071 20 0 BGADHN CO[C@H](c1ccccc1)[C@@H](C)N[C@H]1C=CCC1 ZINC000850510306 588554761 /nfs/dbraw/zinc/55/47/61/588554761.db2.gz SGNURWRABIQVRG-SNPRPXQTSA-N 0 3 231.339 3.071 20 0 BGADHN CO[C@H](c1ccccc1)[C@@H](C)N[C@@H]1C=CCC1 ZINC000850510307 588554459 /nfs/dbraw/zinc/55/44/59/588554459.db2.gz SGNURWRABIQVRG-YUELXQCFSA-N 0 3 231.339 3.071 20 0 BGADHN COc1cccc2c1CCC[C@@H]2N[C@@H]1C=CCC1 ZINC000850510581 588555534 /nfs/dbraw/zinc/55/55/34/588555534.db2.gz UWUUKWNPRMKNLB-DOMZBBRYSA-N 0 3 243.350 3.381 20 0 BGADHN COc1cccc2c1CCC[C@H]2N[C@@H]1C=CCC1 ZINC000850510582 588555273 /nfs/dbraw/zinc/55/52/73/588555273.db2.gz UWUUKWNPRMKNLB-IUODEOHRSA-N 0 3 243.350 3.381 20 0 BGADHN COc1cccc2c1CCC[C@H]2N[C@H]1C=CCC1 ZINC000850510584 588555287 /nfs/dbraw/zinc/55/52/87/588555287.db2.gz UWUUKWNPRMKNLB-SWLSCSKDSA-N 0 3 243.350 3.381 20 0 BGADHN COc1cccc2c1CCC[C@@H]2N[C@H]1C=CCC1 ZINC000850510586 588555223 /nfs/dbraw/zinc/55/52/23/588555223.db2.gz UWUUKWNPRMKNLB-WFASDCNBSA-N 0 3 243.350 3.381 20 0 BGADHN CC(C)[C@@H](N[C@H]1C=CCC1)c1ccc(F)cn1 ZINC000850510667 588555204 /nfs/dbraw/zinc/55/52/04/588555204.db2.gz VUGNAFSLJGWNSZ-GXTWGEPZSA-N 0 3 234.318 3.226 20 0 BGADHN CC(C)[C@H](N[C@H]1C=CCC1)c1ccc(F)cn1 ZINC000850510668 588555297 /nfs/dbraw/zinc/55/52/97/588555297.db2.gz VUGNAFSLJGWNSZ-JSGCOSHPSA-N 0 3 234.318 3.226 20 0 BGADHN CC(C)[C@H](N[C@@H]1C=CCC1)c1ccc(F)cn1 ZINC000850510669 588555354 /nfs/dbraw/zinc/55/53/54/588555354.db2.gz VUGNAFSLJGWNSZ-OCCSQVGLSA-N 0 3 234.318 3.226 20 0 BGADHN CC(C)[C@@H](N[C@@H]1C=CCC1)c1ccc(F)cn1 ZINC000850510670 582923765 /nfs/dbraw/zinc/92/37/65/582923765.db2.gz VUGNAFSLJGWNSZ-TZMCWYRMSA-N 0 3 234.318 3.226 20 0 BGADHN CCc1nc2c(s1)[C@H](N[C@@H]1C=CCC1)CCC2 ZINC000850510687 588555096 /nfs/dbraw/zinc/55/50/96/588555096.db2.gz WLZATAPFSLYLQM-GHMZBOCLSA-N 0 3 248.395 3.391 20 0 BGADHN CCc1nc2c(s1)[C@@H](N[C@@H]1C=CCC1)CCC2 ZINC000850510688 588555344 /nfs/dbraw/zinc/55/53/44/588555344.db2.gz WLZATAPFSLYLQM-MNOVXSKESA-N 0 3 248.395 3.391 20 0 BGADHN CCc1nc2c(s1)[C@@H](N[C@H]1C=CCC1)CCC2 ZINC000850510689 588555156 /nfs/dbraw/zinc/55/51/56/588555156.db2.gz WLZATAPFSLYLQM-QWRGUYRKSA-N 0 3 248.395 3.391 20 0 BGADHN CCc1nc2c(s1)[C@H](N[C@H]1C=CCC1)CCC2 ZINC000850510690 588555498 /nfs/dbraw/zinc/55/54/98/588555498.db2.gz WLZATAPFSLYLQM-WDEREUQCSA-N 0 3 248.395 3.391 20 0 BGADHN CC(C)C[C@H](N[C@@H]1C=CCC1)c1ccncc1 ZINC000850510784 588555268 /nfs/dbraw/zinc/55/52/68/588555268.db2.gz XPJUGMKNFUPWIT-CABCVRRESA-N 0 3 230.355 3.477 20 0 BGADHN CC(C)C[C@H](N[C@H]1C=CCC1)c1ccncc1 ZINC000850510785 588555540 /nfs/dbraw/zinc/55/55/40/588555540.db2.gz XPJUGMKNFUPWIT-GJZGRUSLSA-N 0 3 230.355 3.477 20 0 BGADHN CC(C)C[C@@H](N[C@@H]1C=CCC1)c1ccncc1 ZINC000850510786 588555180 /nfs/dbraw/zinc/55/51/80/588555180.db2.gz XPJUGMKNFUPWIT-HUUCEWRRSA-N 0 3 230.355 3.477 20 0 BGADHN CC(C)C[C@@H](N[C@H]1C=CCC1)c1ccncc1 ZINC000850510787 588555275 /nfs/dbraw/zinc/55/52/75/588555275.db2.gz XPJUGMKNFUPWIT-LSDHHAIUSA-N 0 3 230.355 3.477 20 0 BGADHN CCc1nc(C)c([C@H](C)N[C@@H]2C=CCC2)s1 ZINC000850511021 588555282 /nfs/dbraw/zinc/55/52/82/588555282.db2.gz YQFNZSHGDSPVMW-GXSJLCMTSA-N 0 3 236.384 3.383 20 0 BGADHN CCc1nc(C)c([C@@H](C)N[C@H]2C=CCC2)s1 ZINC000850511023 588555348 /nfs/dbraw/zinc/55/53/48/588555348.db2.gz YQFNZSHGDSPVMW-KOLCDFICSA-N 0 3 236.384 3.383 20 0 BGADHN CCc1nc(C)c([C@@H](C)N[C@@H]2C=CCC2)s1 ZINC000850511025 582923569 /nfs/dbraw/zinc/92/35/69/582923569.db2.gz YQFNZSHGDSPVMW-MWLCHTKSSA-N 0 3 236.384 3.383 20 0 BGADHN CCc1nc(C)c([C@H](C)N[C@H]2C=CCC2)s1 ZINC000850511029 582923665 /nfs/dbraw/zinc/92/36/65/582923665.db2.gz YQFNZSHGDSPVMW-ONGXEEELSA-N 0 3 236.384 3.383 20 0 BGADHN CCc1cccnc1[C@H](C)N[C@H]1C=CCC1 ZINC000850511043 588555529 /nfs/dbraw/zinc/55/55/29/588555529.db2.gz YRSWTMRLRQILQX-AAEUAGOBSA-N 0 3 216.328 3.013 20 0 BGADHN CCc1cccnc1[C@@H](C)N[C@@H]1C=CCC1 ZINC000850511045 588555250 /nfs/dbraw/zinc/55/52/50/588555250.db2.gz YRSWTMRLRQILQX-DGCLKSJQSA-N 0 3 216.328 3.013 20 0 BGADHN CCc1cccnc1[C@H](C)N[C@@H]1C=CCC1 ZINC000850511047 588555160 /nfs/dbraw/zinc/55/51/60/588555160.db2.gz YRSWTMRLRQILQX-WCQYABFASA-N 0 3 216.328 3.013 20 0 BGADHN CCc1cccnc1[C@@H](C)N[C@H]1C=CCC1 ZINC000850511049 588555455 /nfs/dbraw/zinc/55/54/55/588555455.db2.gz YRSWTMRLRQILQX-YPMHNXCESA-N 0 3 216.328 3.013 20 0 BGADHN C[C@@H](N[C@@H]1C=CCC1)c1cc(F)c(F)c(F)c1 ZINC000850511270 588555300 /nfs/dbraw/zinc/55/53/00/588555300.db2.gz AWOLEKBZTJVNTF-PSASIEDQSA-N 0 3 241.256 3.473 20 0 BGADHN C[C@@H](N[C@H]1C=CCC1)c1cc(F)c(F)c(F)c1 ZINC000850511271 588555227 /nfs/dbraw/zinc/55/52/27/588555227.db2.gz AWOLEKBZTJVNTF-SCZZXKLOSA-N 0 3 241.256 3.473 20 0 BGADHN C[C@H](N[C@@H]1C=CCC1)c1cc(F)c(F)c(F)c1 ZINC000850511272 588555129 /nfs/dbraw/zinc/55/51/29/588555129.db2.gz AWOLEKBZTJVNTF-WCBMZHEXSA-N 0 3 241.256 3.473 20 0 BGADHN C[C@H](N[C@H]1C=CCC1)c1cc(F)c(F)c(F)c1 ZINC000850511273 588555586 /nfs/dbraw/zinc/55/55/86/588555586.db2.gz AWOLEKBZTJVNTF-WPRPVWTQSA-N 0 3 241.256 3.473 20 0 BGADHN C[C@@H](N[C@H]1C=CCC1)c1ccc2c(c1)COC2 ZINC000850511318 588555338 /nfs/dbraw/zinc/55/53/38/588555338.db2.gz CAPPZHJHROEASD-ABAIWWIYSA-N 0 3 229.323 3.086 20 0 BGADHN C[C@@H](N[C@@H]1C=CCC1)c1ccc2c(c1)COC2 ZINC000850511319 588555210 /nfs/dbraw/zinc/55/52/10/588555210.db2.gz CAPPZHJHROEASD-IAQYHMDHSA-N 0 3 229.323 3.086 20 0 BGADHN C[C@H](N[C@H]1C=CCC1)c1ccc2c(c1)COC2 ZINC000850511320 588555258 /nfs/dbraw/zinc/55/52/58/588555258.db2.gz CAPPZHJHROEASD-NHYWBVRUSA-N 0 3 229.323 3.086 20 0 BGADHN C[C@H](N[C@@H]1C=CCC1)c1ccc2c(c1)COC2 ZINC000850511321 588555464 /nfs/dbraw/zinc/55/54/64/588555464.db2.gz CAPPZHJHROEASD-XHDPSFHLSA-N 0 3 229.323 3.086 20 0 BGADHN CCOc1cccc([C@H](C)N[C@@H]2C=CCC2)c1 ZINC000850511575 588556060 /nfs/dbraw/zinc/55/60/60/588556060.db2.gz ISZCVVCITZEYLH-GXTWGEPZSA-N 0 3 231.339 3.455 20 0 BGADHN CCOc1cccc([C@H](C)N[C@H]2C=CCC2)c1 ZINC000850511576 588555997 /nfs/dbraw/zinc/55/59/97/588555997.db2.gz ISZCVVCITZEYLH-JSGCOSHPSA-N 0 3 231.339 3.455 20 0 BGADHN CCOc1cccc([C@@H](C)N[C@H]2C=CCC2)c1 ZINC000850511577 588556192 /nfs/dbraw/zinc/55/61/92/588556192.db2.gz ISZCVVCITZEYLH-OCCSQVGLSA-N 0 3 231.339 3.455 20 0 BGADHN CCOc1cccc([C@@H](C)N[C@@H]2C=CCC2)c1 ZINC000850511578 588556121 /nfs/dbraw/zinc/55/61/21/588556121.db2.gz ISZCVVCITZEYLH-TZMCWYRMSA-N 0 3 231.339 3.455 20 0 BGADHN Cc1cc([C@@H](C)NCCOC(F)F)ccc1F ZINC000850521080 588556352 /nfs/dbraw/zinc/55/63/52/588556352.db2.gz BFUMOWNWXRDWLW-SECBINFHSA-N 0 3 247.260 3.024 20 0 BGADHN Cc1cccc([C@@H](C)NCCOC(F)F)c1C ZINC000850521337 588556562 /nfs/dbraw/zinc/55/65/62/588556562.db2.gz HEUXDOJLVPSBTI-LLVKDONJSA-N 0 3 243.297 3.193 20 0 BGADHN Cc1cccc([C@H](C)NCCOC(F)F)c1C ZINC000850521339 588556458 /nfs/dbraw/zinc/55/64/58/588556458.db2.gz HEUXDOJLVPSBTI-NSHDSACASA-N 0 3 243.297 3.193 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2COC3(CCC3)C2)oc1C ZINC000850523175 588556411 /nfs/dbraw/zinc/55/64/11/588556411.db2.gz BKXSUUVVFQDMHZ-AAEUAGOBSA-N 0 3 249.354 3.259 20 0 BGADHN Cc1cc([C@@H](C)N[C@H]2COC3(CCC3)C2)oc1C ZINC000850523176 588556285 /nfs/dbraw/zinc/55/62/85/588556285.db2.gz BKXSUUVVFQDMHZ-DGCLKSJQSA-N 0 3 249.354 3.259 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2COC3(CCC3)C2)oc1C ZINC000850523177 588556586 /nfs/dbraw/zinc/55/65/86/588556586.db2.gz BKXSUUVVFQDMHZ-WCQYABFASA-N 0 3 249.354 3.259 20 0 BGADHN Cc1cc([C@@H](C)N[C@@H]2COC3(CCC3)C2)oc1C ZINC000850523178 588556499 /nfs/dbraw/zinc/55/64/99/588556499.db2.gz BKXSUUVVFQDMHZ-YPMHNXCESA-N 0 3 249.354 3.259 20 0 BGADHN CCc1ccc([C@@H](C)N[C@@H]2COC3(CCC3)C2)o1 ZINC000850524750 588557094 /nfs/dbraw/zinc/55/70/94/588557094.db2.gz HZCUHOFJHCHKCT-NEPJUHHUSA-N 0 3 249.354 3.204 20 0 BGADHN CCc1ccc([C@H](C)N[C@H]2COC3(CCC3)C2)o1 ZINC000850524752 588556793 /nfs/dbraw/zinc/55/67/93/588556793.db2.gz HZCUHOFJHCHKCT-NWDGAFQWSA-N 0 3 249.354 3.204 20 0 BGADHN CCc1ccc([C@H](C)N[C@@H]2COC3(CCC3)C2)o1 ZINC000850524754 588556933 /nfs/dbraw/zinc/55/69/33/588556933.db2.gz HZCUHOFJHCHKCT-RYUDHWBXSA-N 0 3 249.354 3.204 20 0 BGADHN CCc1ccc([C@@H](C)N[C@H]2COC3(CCC3)C2)o1 ZINC000850524756 588557083 /nfs/dbraw/zinc/55/70/83/588557083.db2.gz HZCUHOFJHCHKCT-VXGBXAGGSA-N 0 3 249.354 3.204 20 0 BGADHN CC(C)C1CC(N[C@@H]2C[C@@H](O)c3ccccc32)C1 ZINC000850526385 588557458 /nfs/dbraw/zinc/55/74/58/588557458.db2.gz BQWKQGVJXSCDRS-DCNYZXSGSA-N 0 3 245.366 3.189 20 0 BGADHN CC(C)C1CC(N[C@H]2C[C@H](O)c3ccccc32)C1 ZINC000850526386 588557445 /nfs/dbraw/zinc/55/74/45/588557445.db2.gz BQWKQGVJXSCDRS-INCPQMAJSA-N 0 3 245.366 3.189 20 0 BGADHN CC(C)C1CC(N[C@@H]2C[C@H](O)c3ccccc32)C1 ZINC000850526387 588557302 /nfs/dbraw/zinc/55/73/02/588557302.db2.gz BQWKQGVJXSCDRS-TUHYSUIHSA-N 0 3 245.366 3.189 20 0 BGADHN CC(C)C1CC(N[C@H]2C[C@@H](O)c3ccccc32)C1 ZINC000850526388 588557428 /nfs/dbraw/zinc/55/74/28/588557428.db2.gz BQWKQGVJXSCDRS-UQZDFYISSA-N 0 3 245.366 3.189 20 0 BGADHN CCc1noc(C)c1[C@H](C)NCCc1ccoc1 ZINC000850530797 588557977 /nfs/dbraw/zinc/55/79/77/588557977.db2.gz CRXCXWFGWGTKBO-JTQLQIEISA-N 0 3 248.326 3.032 20 0 BGADHN CCc1noc(C)c1[C@@H](C)NCCc1ccoc1 ZINC000850530798 588557753 /nfs/dbraw/zinc/55/77/53/588557753.db2.gz CRXCXWFGWGTKBO-SNVBAGLBSA-N 0 3 248.326 3.032 20 0 BGADHN CCc1noc(C)c1[C@@H](C)NCCC(C)(C)F ZINC000850532608 588558334 /nfs/dbraw/zinc/55/83/34/588558334.db2.gz VDZDMSHNWFRNEG-SECBINFHSA-N 0 3 242.338 3.334 20 0 BGADHN CCc1noc(C)c1[C@H](C)NCCC(C)(C)F ZINC000850532609 588558337 /nfs/dbraw/zinc/55/83/37/588558337.db2.gz VDZDMSHNWFRNEG-VIFPVBQESA-N 0 3 242.338 3.334 20 0 BGADHN CCc1noc(C)c1[C@H](C)NCC1=CCCC1 ZINC000850555836 588560101 /nfs/dbraw/zinc/56/01/01/588560101.db2.gz CEJIZNHXJOWBGL-JTQLQIEISA-N 0 3 234.343 3.306 20 0 BGADHN CCc1noc(C)c1[C@@H](C)NCC1=CCCC1 ZINC000850555838 588560271 /nfs/dbraw/zinc/56/02/71/588560271.db2.gz CEJIZNHXJOWBGL-SNVBAGLBSA-N 0 3 234.343 3.306 20 0 BGADHN C[C@@H](NC1CC2(C1)CCCCC2)c1ccnn1C ZINC000850556791 588560328 /nfs/dbraw/zinc/56/03/28/588560328.db2.gz JEWZNRJBUDIAND-GFCCVEGCSA-N 0 3 247.386 3.184 20 0 BGADHN C[C@H](NC1CC2(C1)CCCCC2)c1ccnn1C ZINC000850556794 588560208 /nfs/dbraw/zinc/56/02/08/588560208.db2.gz JEWZNRJBUDIAND-LBPRGKRZSA-N 0 3 247.386 3.184 20 0 BGADHN Clc1ccc2c(n1)CC[C@H]2NCC1=CCCC1 ZINC000850557589 588560211 /nfs/dbraw/zinc/56/02/11/588560211.db2.gz RAPHDNAWIGRHRV-GFCCVEGCSA-N 0 3 248.757 3.422 20 0 BGADHN Clc1ccc2c(n1)CC[C@@H]2NCC1=CCCC1 ZINC000850557593 588560091 /nfs/dbraw/zinc/56/00/91/588560091.db2.gz RAPHDNAWIGRHRV-LBPRGKRZSA-N 0 3 248.757 3.422 20 0 BGADHN CCc1noc(C)c1[C@@H](C)NC1CC(C)(C)C1 ZINC000850575984 588561312 /nfs/dbraw/zinc/56/13/12/588561312.db2.gz DYTYGOCOOBNLMQ-SECBINFHSA-N 0 3 236.359 3.385 20 0 BGADHN CCc1noc(C)c1[C@H](C)NC1CC(C)(C)C1 ZINC000850575986 588561402 /nfs/dbraw/zinc/56/14/02/588561402.db2.gz DYTYGOCOOBNLMQ-VIFPVBQESA-N 0 3 236.359 3.385 20 0 BGADHN C[C@H](c1ccc(F)cc1)N(C)CCOC(F)F ZINC000851710732 588615441 /nfs/dbraw/zinc/61/54/41/588615441.db2.gz PARLMPZYLWMDNS-SECBINFHSA-N 0 3 247.260 3.058 20 0 BGADHN C[C@@H](c1ccc(F)cc1)N(C)CCOC(F)F ZINC000851710733 588615228 /nfs/dbraw/zinc/61/52/28/588615228.db2.gz PARLMPZYLWMDNS-VIFPVBQESA-N 0 3 247.260 3.058 20 0 BGADHN CN(Cc1cccc(F)n1)C1CCCCCC1 ZINC000851712654 588615849 /nfs/dbraw/zinc/61/58/49/588615849.db2.gz RPMFEKZTDKFATR-UHFFFAOYSA-N 0 3 236.334 3.375 20 0 BGADHN FC(F)OCCN1CCC[C@@H]1c1ccccc1 ZINC000851712712 588615873 /nfs/dbraw/zinc/61/58/73/588615873.db2.gz SCSSGNXSRDAJCL-GFCCVEGCSA-N 0 3 241.281 3.063 20 0 BGADHN FC(F)OCCN1CCC[C@H]1c1ccccc1 ZINC000851712713 588615713 /nfs/dbraw/zinc/61/57/13/588615713.db2.gz SCSSGNXSRDAJCL-LBPRGKRZSA-N 0 3 241.281 3.063 20 0 BGADHN CN(Cc1cccc(F)n1)CC1CCCCC1 ZINC000851712965 588615813 /nfs/dbraw/zinc/61/58/13/588615813.db2.gz VZCPXNIAPCRNMS-UHFFFAOYSA-N 0 3 236.334 3.233 20 0 BGADHN Cc1nc(CN2CCCCCCC2)c(C)o1 ZINC000851713293 588615803 /nfs/dbraw/zinc/61/58/03/588615803.db2.gz CXDBQPYHCYBPKG-UHFFFAOYSA-N 0 3 222.332 3.058 20 0 BGADHN c1c(CN2CCCCCCC2)onc1C1CC1 ZINC000851713397 588615991 /nfs/dbraw/zinc/61/59/91/588615991.db2.gz DLNHWWUSRJZXGZ-UHFFFAOYSA-N 0 3 234.343 3.318 20 0 BGADHN FC(F)OCCN1CCC[C@@H]1c1cccs1 ZINC000851713529 588615838 /nfs/dbraw/zinc/61/58/38/588615838.db2.gz GSPBUNQQNOZXAL-SECBINFHSA-N 0 3 247.310 3.124 20 0 BGADHN FC(F)OCCN1CCC[C@H]1c1cccs1 ZINC000851713531 588615654 /nfs/dbraw/zinc/61/56/54/588615654.db2.gz GSPBUNQQNOZXAL-VIFPVBQESA-N 0 3 247.310 3.124 20 0 BGADHN Cc1cc([C@@H]2CCCN2CC2CC=CC2)no1 ZINC000851715637 588616356 /nfs/dbraw/zinc/61/63/56/588616356.db2.gz ACDYEGFEPGQPHU-AWEZNQCLSA-N 0 3 232.327 3.086 20 0 BGADHN Cc1cc([C@H]2CCCN2CC2CC=CC2)no1 ZINC000851715638 588616390 /nfs/dbraw/zinc/61/63/90/588616390.db2.gz ACDYEGFEPGQPHU-CQSZACIVSA-N 0 3 232.327 3.086 20 0 BGADHN Cc1cc([C@H]2CCCN2C[C@@H]2C[C@H]3C[C@H]3C2)no1 ZINC000851715888 588616502 /nfs/dbraw/zinc/61/65/02/588616502.db2.gz FBTPFZAXIHETRN-QVHKTLOISA-N 0 3 246.354 3.166 20 0 BGADHN Cc1cc([C@@H]2CCCN2C[C@@H]2C[C@H]3C[C@H]3C2)no1 ZINC000851715889 588616436 /nfs/dbraw/zinc/61/64/36/588616436.db2.gz FBTPFZAXIHETRN-XFMPKHEZSA-N 0 3 246.354 3.166 20 0 BGADHN CC1CCC(N(C)Cc2cccc(F)n2)CC1 ZINC000851715981 588616305 /nfs/dbraw/zinc/61/63/05/588616305.db2.gz GHCYWDSGFAKERM-UHFFFAOYSA-N 0 3 236.334 3.231 20 0 BGADHN Cc1cc([C@@H]2CCCN2CCC2CCC2)no1 ZINC000851717587 588616079 /nfs/dbraw/zinc/61/60/79/588616079.db2.gz ZDHXVDAPVMQZNU-AWEZNQCLSA-N 0 3 234.343 3.310 20 0 BGADHN Cc1cc([C@H]2CCCN2CCC2CCC2)no1 ZINC000851717588 588616177 /nfs/dbraw/zinc/61/61/77/588616177.db2.gz ZDHXVDAPVMQZNU-CQSZACIVSA-N 0 3 234.343 3.310 20 0 BGADHN Fc1cccc(SCCN2CCCC2)c1 ZINC000851718393 588616883 /nfs/dbraw/zinc/61/68/83/588616883.db2.gz JOIDHIPJGNUUAY-UHFFFAOYSA-N 0 3 225.332 3.014 20 0 BGADHN CCN(CCOC(F)F)Cc1ccccc1C ZINC000851719924 588616806 /nfs/dbraw/zinc/61/68/06/588616806.db2.gz WDWRPCHFQHMQQV-UHFFFAOYSA-N 0 3 243.297 3.056 20 0 BGADHN CN(CCOC(F)F)Cc1cccc(Cl)c1 ZINC000851721129 588617001 /nfs/dbraw/zinc/61/70/01/588617001.db2.gz BSQAUNMQBFNOQQ-UHFFFAOYSA-N 0 3 249.688 3.011 20 0 BGADHN CN(CCOC(F)F)Cc1ccc(Cl)cc1 ZINC000851721872 588617461 /nfs/dbraw/zinc/61/74/61/588617461.db2.gz GPHYKJJAEGGAIW-UHFFFAOYSA-N 0 3 249.688 3.011 20 0 BGADHN C[C@H](N(C)Cc1cccc(F)n1)C(C)(C)C ZINC000851724800 588617525 /nfs/dbraw/zinc/61/75/25/588617525.db2.gz IOKORFWYLNLTNN-JTQLQIEISA-N 0 3 224.323 3.087 20 0 BGADHN C[C@@H](N(C)Cc1cccc(F)n1)C(C)(C)C ZINC000851724801 588617807 /nfs/dbraw/zinc/61/78/07/588617807.db2.gz IOKORFWYLNLTNN-SNVBAGLBSA-N 0 3 224.323 3.087 20 0 BGADHN Cc1noc(C)c1CN(C)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000851725684 588617961 /nfs/dbraw/zinc/61/79/61/588617961.db2.gz DNBGOWQSPRJQNX-HZSPNIEDSA-N 0 3 248.370 3.159 20 0 BGADHN Cc1noc(C)c1CN(C)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000851725698 588617970 /nfs/dbraw/zinc/61/79/70/588617970.db2.gz DNBGOWQSPRJQNX-MCIONIFRSA-N 0 3 248.370 3.159 20 0 BGADHN CC(C)=CCCN(C)Cc1c(C)noc1C ZINC000851726087 588618068 /nfs/dbraw/zinc/61/80/68/588618068.db2.gz LAFURDRWRYFSTB-UHFFFAOYSA-N 0 3 222.332 3.080 20 0 BGADHN CCC(CC)CN(CC)Cc1cccc(F)n1 ZINC000851726616 588618169 /nfs/dbraw/zinc/61/81/69/588618169.db2.gz UUPLCUWGUGFTEB-UHFFFAOYSA-N 0 3 238.350 3.479 20 0 BGADHN Cc1noc(C)c1CN(C)CCCC1CCC1 ZINC000851726885 582964268 /nfs/dbraw/zinc/96/42/68/582964268.db2.gz XCFHUGGTTHVHRJ-UHFFFAOYSA-N 0 3 236.359 3.304 20 0 BGADHN CC(C)CCN(Cc1cccc(F)n1)C1CC1 ZINC000851727112 588618696 /nfs/dbraw/zinc/61/86/96/588618696.db2.gz CEHJYXASLUEEDE-UHFFFAOYSA-N 0 3 236.334 3.231 20 0 BGADHN Cc1ccc([C@@H](C)N(C)CCOC(F)F)cc1 ZINC000851727733 588618505 /nfs/dbraw/zinc/61/85/05/588618505.db2.gz WBIRZKGPKWDNGG-LLVKDONJSA-N 0 3 243.297 3.227 20 0 BGADHN Cc1ccc([C@H](C)N(C)CCOC(F)F)cc1 ZINC000851727734 588618723 /nfs/dbraw/zinc/61/87/23/588618723.db2.gz WBIRZKGPKWDNGG-NSHDSACASA-N 0 3 243.297 3.227 20 0 BGADHN C[C@H]1CCC[C@H](N(C)Cc2cccc(F)n2)C1 ZINC000851727776 588618680 /nfs/dbraw/zinc/61/86/80/588618680.db2.gz XEFLQXQLDKYQRD-AAEUAGOBSA-N 0 3 236.334 3.231 20 0 BGADHN C[C@@H]1CCC[C@@H](N(C)Cc2cccc(F)n2)C1 ZINC000851727777 588618632 /nfs/dbraw/zinc/61/86/32/588618632.db2.gz XEFLQXQLDKYQRD-DGCLKSJQSA-N 0 3 236.334 3.231 20 0 BGADHN C[C@H]1CCC[C@@H](N(C)Cc2cccc(F)n2)C1 ZINC000851727778 588618748 /nfs/dbraw/zinc/61/87/48/588618748.db2.gz XEFLQXQLDKYQRD-WCQYABFASA-N 0 3 236.334 3.231 20 0 BGADHN C[C@@H]1CCC[C@H](N(C)Cc2cccc(F)n2)C1 ZINC000851727779 588618753 /nfs/dbraw/zinc/61/87/53/588618753.db2.gz XEFLQXQLDKYQRD-YPMHNXCESA-N 0 3 236.334 3.231 20 0 BGADHN Fc1cccc(CN2CCC[C@H]2C2CCCC2)n1 ZINC000851734068 588619931 /nfs/dbraw/zinc/61/99/31/588619931.db2.gz NRZAYLIQSPGTLQ-AWEZNQCLSA-N 0 3 248.345 3.375 20 0 BGADHN Fc1cccc(CN2CCC[C@@H]2C2CCCC2)n1 ZINC000851734069 588619739 /nfs/dbraw/zinc/61/97/39/588619739.db2.gz NRZAYLIQSPGTLQ-CQSZACIVSA-N 0 3 248.345 3.375 20 0 BGADHN Cc1ccccc1[C@@H](C)N(C)CCOC(F)F ZINC000851734136 588619845 /nfs/dbraw/zinc/61/98/45/588619845.db2.gz OJAUUMSXQHGPOV-LLVKDONJSA-N 0 3 243.297 3.227 20 0 BGADHN Cc1ccccc1[C@H](C)N(C)CCOC(F)F ZINC000851734137 588619833 /nfs/dbraw/zinc/61/98/33/588619833.db2.gz OJAUUMSXQHGPOV-NSHDSACASA-N 0 3 243.297 3.227 20 0 BGADHN CC(C)[C@H]1CCCN1CC=C(Cl)Cl ZINC000851734202 588619934 /nfs/dbraw/zinc/61/99/34/588619934.db2.gz BZKZKXDTYZNCHQ-SECBINFHSA-N 0 3 222.159 3.426 20 0 BGADHN CC(C)[C@@H]1CCCN1CC=C(Cl)Cl ZINC000851734204 588620104 /nfs/dbraw/zinc/62/01/04/588620104.db2.gz BZKZKXDTYZNCHQ-VIFPVBQESA-N 0 3 222.159 3.426 20 0 BGADHN CC(C)N(CCOC(F)F)Cc1cccs1 ZINC000851734382 588620369 /nfs/dbraw/zinc/62/03/69/588620369.db2.gz GLVJVXOIJMPZIP-UHFFFAOYSA-N 0 3 249.326 3.198 20 0 BGADHN CCN(CCOC(F)F)Cc1ccc(C)cc1 ZINC000851738492 588620827 /nfs/dbraw/zinc/62/08/27/588620827.db2.gz IIVNWHCXQLFJGZ-UHFFFAOYSA-N 0 3 243.297 3.056 20 0 BGADHN CN(CC=C(Cl)Cl)C(C1CC1)C1CC1 ZINC000851740139 588621289 /nfs/dbraw/zinc/62/12/89/588621289.db2.gz LTKZHRRKEFCXQD-UHFFFAOYSA-N 0 3 234.170 3.426 20 0 BGADHN CCCCN(Cc1cnon1)C1CCCCC1 ZINC000851740233 582965293 /nfs/dbraw/zinc/96/52/93/582965293.db2.gz VCBHHTLYRQCGGH-UHFFFAOYSA-N 0 3 237.347 3.004 20 0 BGADHN CC(C)C[C@H]1CCCN1Cc1cccc(F)n1 ZINC000851741024 588621585 /nfs/dbraw/zinc/62/15/85/588621585.db2.gz DHLBPGAXSCMNDC-CYBMUJFWSA-N 0 3 236.334 3.231 20 0 BGADHN CC(C)C[C@@H]1CCCN1Cc1cccc(F)n1 ZINC000851741025 588621213 /nfs/dbraw/zinc/62/12/13/588621213.db2.gz DHLBPGAXSCMNDC-ZDUSSCGKSA-N 0 3 236.334 3.231 20 0 BGADHN FC(F)OCCN1CCC2(CCCCC2)CC1 ZINC000851746769 582966190 /nfs/dbraw/zinc/96/61/90/582966190.db2.gz OYRIZHIXBSHESX-UHFFFAOYSA-N 0 3 247.329 3.272 20 0 BGADHN CCC(CC)N(Cc1cccc(F)n1)C1CC1 ZINC000851747749 588622470 /nfs/dbraw/zinc/62/24/70/588622470.db2.gz WIWTXAKOIGOLGH-UHFFFAOYSA-N 0 3 236.334 3.374 20 0 BGADHN CC[C@@H]1CCCN1CC=C(Cl)Cl ZINC000851748457 588622731 /nfs/dbraw/zinc/62/27/31/588622731.db2.gz NUTPZLJLRLBQIQ-MRVPVSSYSA-N 0 3 208.132 3.180 20 0 BGADHN CC[C@H]1CCCN1CC=C(Cl)Cl ZINC000851748459 588622622 /nfs/dbraw/zinc/62/26/22/588622622.db2.gz NUTPZLJLRLBQIQ-QMMMGPOBSA-N 0 3 208.132 3.180 20 0 BGADHN ClC(Cl)=CCN1CCC[C@@H]1C1CC1 ZINC000851751278 588623194 /nfs/dbraw/zinc/62/31/94/588623194.db2.gz PZHXGAUTAHBJBN-SECBINFHSA-N 0 3 220.143 3.180 20 0 BGADHN ClC(Cl)=CCN1CCC[C@H]1C1CC1 ZINC000851751282 588623348 /nfs/dbraw/zinc/62/33/48/588623348.db2.gz PZHXGAUTAHBJBN-VIFPVBQESA-N 0 3 220.143 3.180 20 0 BGADHN CC(C)(C)[C@H]1CCCN1Cc1cccc(F)n1 ZINC000851753515 588623844 /nfs/dbraw/zinc/62/38/44/588623844.db2.gz XVSJLMDZQNDNRA-GFCCVEGCSA-N 0 3 236.334 3.231 20 0 BGADHN CC(C)(C)[C@@H]1CCCN1Cc1cccc(F)n1 ZINC000851753516 588623512 /nfs/dbraw/zinc/62/35/12/588623512.db2.gz XVSJLMDZQNDNRA-LBPRGKRZSA-N 0 3 236.334 3.231 20 0 BGADHN Fc1cccc(CN(C2CC2)C2CCCC2)n1 ZINC000851763337 588624399 /nfs/dbraw/zinc/62/43/99/588624399.db2.gz PSKRRPOVIQONIJ-UHFFFAOYSA-N 0 3 234.318 3.128 20 0 BGADHN FC(F)OCCN1CCCC2(CCCCC2)C1 ZINC000851770058 588625625 /nfs/dbraw/zinc/62/56/25/588625625.db2.gz XHERESXEFMOKCW-UHFFFAOYSA-N 0 3 247.329 3.272 20 0 BGADHN FC(F)OCCN1CCC[C@]2(CC=CCC2)C1 ZINC000851773023 588625977 /nfs/dbraw/zinc/62/59/77/588625977.db2.gz ORUMGOGKAAFUAY-CYBMUJFWSA-N 0 3 245.313 3.048 20 0 BGADHN FC(F)OCCN1CCC[C@@]2(CC=CCC2)C1 ZINC000851773024 588625921 /nfs/dbraw/zinc/62/59/21/588625921.db2.gz ORUMGOGKAAFUAY-ZDUSSCGKSA-N 0 3 245.313 3.048 20 0 BGADHN CC[C@@H]1CCCN(Cc2cccc(F)n2)CC1 ZINC000851775969 588626390 /nfs/dbraw/zinc/62/63/90/588626390.db2.gz BQXGHRPULAOUDV-GFCCVEGCSA-N 0 3 236.334 3.233 20 0 BGADHN CC[C@H]1CCCN(Cc2cccc(F)n2)CC1 ZINC000851775970 588626477 /nfs/dbraw/zinc/62/64/77/588626477.db2.gz BQXGHRPULAOUDV-LBPRGKRZSA-N 0 3 236.334 3.233 20 0 BGADHN CC(C)[C@H]1CCCCN1Cc1cccc(F)n1 ZINC000851776169 588626357 /nfs/dbraw/zinc/62/63/57/588626357.db2.gz IUQQQBSSNZWTHN-CYBMUJFWSA-N 0 3 236.334 3.231 20 0 BGADHN CC(C)[C@@H]1CCCCN1Cc1cccc(F)n1 ZINC000851776170 588626291 /nfs/dbraw/zinc/62/62/91/588626291.db2.gz IUQQQBSSNZWTHN-ZDUSSCGKSA-N 0 3 236.334 3.231 20 0 BGADHN Fc1cccc(CN2CCC3(CCCC3)CC2)n1 ZINC000851780207 582966588 /nfs/dbraw/zinc/96/65/88/582966588.db2.gz ZSJKXBJZPJSSLT-UHFFFAOYSA-N 0 3 248.345 3.377 20 0 BGADHN CC[C@@H]1CCCCCN1Cc1cccc(F)n1 ZINC000851781370 588627567 /nfs/dbraw/zinc/62/75/67/588627567.db2.gz VPEYJFYAPYSJID-CYBMUJFWSA-N 0 3 236.334 3.375 20 0 BGADHN CC[C@H]1CCCCCN1Cc1cccc(F)n1 ZINC000851781371 588627564 /nfs/dbraw/zinc/62/75/64/588627564.db2.gz VPEYJFYAPYSJID-ZDUSSCGKSA-N 0 3 236.334 3.375 20 0 BGADHN C[C@@H]1C[C@@H](C)N(CC=C(Cl)Cl)C1 ZINC000851782169 588628086 /nfs/dbraw/zinc/62/80/86/588628086.db2.gz NJMDISJWHQUTJW-HTQZYQBOSA-N 0 3 208.132 3.036 20 0 BGADHN C[C@@H]1C[C@H](C)CN1CC=C(Cl)Cl ZINC000851782170 588627883 /nfs/dbraw/zinc/62/78/83/588627883.db2.gz NJMDISJWHQUTJW-JGVFFNPUSA-N 0 3 208.132 3.036 20 0 BGADHN C[C@@H]1C[C@H](C)N(CC=C(Cl)Cl)C1 ZINC000851782171 588627676 /nfs/dbraw/zinc/62/76/76/588627676.db2.gz NJMDISJWHQUTJW-SFYZADRCSA-N 0 3 208.132 3.036 20 0 BGADHN C[C@H]1C[C@H](C)N(CC=C(Cl)Cl)C1 ZINC000851782172 588628113 /nfs/dbraw/zinc/62/81/13/588628113.db2.gz NJMDISJWHQUTJW-YUMQZZPRSA-N 0 3 208.132 3.036 20 0 BGADHN Fc1cccc(CN2CCC3(C2)CCCCC3)n1 ZINC000851783492 588627823 /nfs/dbraw/zinc/62/78/23/588627823.db2.gz DQUMPJDRBXDXNK-UHFFFAOYSA-N 0 3 248.345 3.377 20 0 BGADHN CC1(C)CCCN(Cc2cccc(F)n2)CC1 ZINC000851784106 588628383 /nfs/dbraw/zinc/62/83/83/588628383.db2.gz QQRVWDQHGDRVIB-UHFFFAOYSA-N 0 3 236.334 3.233 20 0 BGADHN Fc1cccc(CN2C3CCCC2CCC3)n1 ZINC000851785071 588628566 /nfs/dbraw/zinc/62/85/66/588628566.db2.gz NTGKHRZEMHFLBH-UHFFFAOYSA-N 0 3 234.318 3.128 20 0 BGADHN C[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1cccc(F)n1 ZINC000851786007 588628936 /nfs/dbraw/zinc/62/89/36/588628936.db2.gz VBSCYFQFURBVQI-BZPMIXESSA-N 0 3 248.345 3.374 20 0 BGADHN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cccc(F)n1 ZINC000851786009 588628911 /nfs/dbraw/zinc/62/89/11/588628911.db2.gz VBSCYFQFURBVQI-DYEKYZERSA-N 0 3 248.345 3.374 20 0 BGADHN C[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1cccc(F)n1 ZINC000851786010 588628890 /nfs/dbraw/zinc/62/88/90/588628890.db2.gz VBSCYFQFURBVQI-MBNYWOFBSA-N 0 3 248.345 3.374 20 0 BGADHN C[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cccc(F)n1 ZINC000851786011 588628962 /nfs/dbraw/zinc/62/89/62/588628962.db2.gz VBSCYFQFURBVQI-YRGRVCCFSA-N 0 3 248.345 3.374 20 0 BGADHN C[C@@H]1CCC[C@H](C)N(Cc2cccc(F)n2)C1 ZINC000851786611 582966735 /nfs/dbraw/zinc/96/67/35/582966735.db2.gz ZKLVSJNQUWZBQB-NEPJUHHUSA-N 0 3 236.334 3.231 20 0 BGADHN C[C@@H]1CCC[C@H](C)CN1Cc1cccc(F)n1 ZINC000851786612 582966989 /nfs/dbraw/zinc/96/69/89/582966989.db2.gz ZKLVSJNQUWZBQB-NWDGAFQWSA-N 0 3 236.334 3.231 20 0 BGADHN C[C@H]1CCC[C@H](C)N(Cc2cccc(F)n2)C1 ZINC000851786613 582966786 /nfs/dbraw/zinc/96/67/86/582966786.db2.gz ZKLVSJNQUWZBQB-RYUDHWBXSA-N 0 3 236.334 3.231 20 0 BGADHN C[C@@H]1CCC[C@@H](C)N(Cc2cccc(F)n2)C1 ZINC000851786614 582967226 /nfs/dbraw/zinc/96/72/26/582967226.db2.gz ZKLVSJNQUWZBQB-VXGBXAGGSA-N 0 3 236.334 3.231 20 0 BGADHN FC(F)OCCN1CCC(C2CCCC2)CC1 ZINC000851787044 588628900 /nfs/dbraw/zinc/62/89/00/588628900.db2.gz MMNIAFWSGHGDJX-UHFFFAOYSA-N 0 3 247.329 3.128 20 0 BGADHN c1c(CN2CCC3(CCCC3)C2)onc1C1CC1 ZINC000851790092 588628801 /nfs/dbraw/zinc/62/88/01/588628801.db2.gz IDPANVYCBKRUNQ-UHFFFAOYSA-N 0 3 246.354 3.318 20 0 BGADHN CCC[C@]1(C)CCCN(CCOC(F)F)C1 ZINC000851794248 588629494 /nfs/dbraw/zinc/62/94/94/588629494.db2.gz QIOBRGPDCQXUJO-GFCCVEGCSA-N 0 3 235.318 3.128 20 0 BGADHN CCC[C@@]1(C)CCCN(CCOC(F)F)C1 ZINC000851794250 588629516 /nfs/dbraw/zinc/62/95/16/588629516.db2.gz QIOBRGPDCQXUJO-LBPRGKRZSA-N 0 3 235.318 3.128 20 0 BGADHN CC[C@@H](C)CN(CC)Cc1cccc(F)n1 ZINC000851796486 588629814 /nfs/dbraw/zinc/62/98/14/588629814.db2.gz GCDRNPBKNWDNLX-LLVKDONJSA-N 0 3 224.323 3.089 20 0 BGADHN CC[C@H](C)CN(CC)Cc1cccc(F)n1 ZINC000851796487 588629980 /nfs/dbraw/zinc/62/99/80/588629980.db2.gz GCDRNPBKNWDNLX-NSHDSACASA-N 0 3 224.323 3.089 20 0 BGADHN C[C@@H]1CN(Cc2cc(C3CC3)no2)C(C)(C)C1 ZINC000851797040 588629893 /nfs/dbraw/zinc/62/98/93/588629893.db2.gz BDZXIUQCSAHCNR-JTQLQIEISA-N 0 3 234.343 3.172 20 0 BGADHN C[C@H]1CN(Cc2cc(C3CC3)no2)C(C)(C)C1 ZINC000851797042 588629643 /nfs/dbraw/zinc/62/96/43/588629643.db2.gz BDZXIUQCSAHCNR-SNVBAGLBSA-N 0 3 234.343 3.172 20 0 BGADHN C[C@@H]1CCN(CC=C(Cl)Cl)[C@@H]1C ZINC000851798079 588629877 /nfs/dbraw/zinc/62/98/77/588629877.db2.gz XTKRZNDHUFEOCT-HTQZYQBOSA-N 0 3 208.132 3.036 20 0 BGADHN C[C@@H]1[C@@H](C)CCN1CC=C(Cl)Cl ZINC000851798081 588629633 /nfs/dbraw/zinc/62/96/33/588629633.db2.gz XTKRZNDHUFEOCT-JGVFFNPUSA-N 0 3 208.132 3.036 20 0 BGADHN C[C@@H]1CCN(CC=C(Cl)Cl)[C@H]1C ZINC000851798083 588627299 /nfs/dbraw/zinc/62/72/99/588627299.db2.gz XTKRZNDHUFEOCT-SFYZADRCSA-N 0 3 208.132 3.036 20 0 BGADHN C[C@H]1CCN(CC=C(Cl)Cl)[C@H]1C ZINC000851798084 588627431 /nfs/dbraw/zinc/62/74/31/588627431.db2.gz XTKRZNDHUFEOCT-YUMQZZPRSA-N 0 3 208.132 3.036 20 0 BGADHN CN(Cc1ccc(Cl)nc1)CC1CC=CC1 ZINC000851799705 588630123 /nfs/dbraw/zinc/63/01/23/588630123.db2.gz PMHBTUBXZZLNAA-UHFFFAOYSA-N 0 3 236.746 3.133 20 0 BGADHN CO[C@@H]1CC[C@@H](N2CC[C@H]2c2cccc(F)c2)C1 ZINC000851800354 588630538 /nfs/dbraw/zinc/63/05/38/588630538.db2.gz IXYSKUVMNVEIPF-KFWWJZLASA-N 0 3 249.329 3.140 20 0 BGADHN CO[C@@H]1CC[C@@H](N2CC[C@@H]2c2cccc(F)c2)C1 ZINC000851800355 588630906 /nfs/dbraw/zinc/63/09/06/588630906.db2.gz IXYSKUVMNVEIPF-RBSFLKMASA-N 0 3 249.329 3.140 20 0 BGADHN CO[C@@H]1CC[C@H](N2CC[C@@H]2c2cccc(F)c2)C1 ZINC000851800356 588630627 /nfs/dbraw/zinc/63/06/27/588630627.db2.gz IXYSKUVMNVEIPF-RRFJBIMHSA-N 0 3 249.329 3.140 20 0 BGADHN CO[C@@H]1CC[C@H](N2CC[C@H]2c2cccc(F)c2)C1 ZINC000851800357 588630805 /nfs/dbraw/zinc/63/08/05/588630805.db2.gz IXYSKUVMNVEIPF-ZNMIVQPWSA-N 0 3 249.329 3.140 20 0 BGADHN CO[C@@H]1CCN(Cc2cccc(C(C)C)c2)C1 ZINC000851800638 588630571 /nfs/dbraw/zinc/63/05/71/588630571.db2.gz NKRBLKSWVZUMMW-OAHLLOKOSA-N 0 3 233.355 3.031 20 0 BGADHN CCC1(CC)CCN(Cc2cccc(F)n2)C1 ZINC000851806897 588631718 /nfs/dbraw/zinc/63/17/18/588631718.db2.gz BDGOHMYTFXSGAJ-UHFFFAOYSA-N 0 3 236.334 3.233 20 0 BGADHN CC(C)[C@@H]1CCN(CC=C(Cl)Cl)C1 ZINC000851808038 582968899 /nfs/dbraw/zinc/96/88/99/582968899.db2.gz JZTXHDHBSPFIIS-SECBINFHSA-N 0 3 222.159 3.283 20 0 BGADHN CC(C)[C@H]1CCN(CC=C(Cl)Cl)C1 ZINC000851808039 582968892 /nfs/dbraw/zinc/96/88/92/582968892.db2.gz JZTXHDHBSPFIIS-VIFPVBQESA-N 0 3 222.159 3.283 20 0 BGADHN CCC[C@@H]1CCCN(Cc2cccc(F)n2)C1 ZINC000851809069 588632249 /nfs/dbraw/zinc/63/22/49/588632249.db2.gz ROTNACRSKJMPHH-GFCCVEGCSA-N 0 3 236.334 3.233 20 0 BGADHN CCC[C@H]1CCCN(Cc2cccc(F)n2)C1 ZINC000851809070 588631934 /nfs/dbraw/zinc/63/19/34/588631934.db2.gz ROTNACRSKJMPHH-LBPRGKRZSA-N 0 3 236.334 3.233 20 0 BGADHN CC(C)N(CC=C(Cl)Cl)CC1CC1 ZINC000851823618 588633503 /nfs/dbraw/zinc/63/35/03/588633503.db2.gz NBFNRKURWBVSLI-UHFFFAOYSA-N 0 3 222.159 3.426 20 0 BGADHN C[C@H](NCc1cc(C2CC2)no1)C(C)(C)C ZINC000851843014 588634407 /nfs/dbraw/zinc/63/44/07/588634407.db2.gz WVLCGRIOUJRYPB-VIFPVBQESA-N 0 3 222.332 3.076 20 0 BGADHN ClC(Cl)=CCN(CC1CC1)CC1CC1 ZINC000851844124 588634861 /nfs/dbraw/zinc/63/48/61/588634861.db2.gz SAJMSJCJGBGIOF-UHFFFAOYSA-N 0 3 234.170 3.427 20 0 BGADHN C[C@@H]1CCCC[C@@H]1CN1CC(C(F)(F)F)C1 ZINC000851856897 588635463 /nfs/dbraw/zinc/63/54/63/588635463.db2.gz HSKXWZQNLWPMFH-NXEZZACHSA-N 0 3 235.293 3.307 20 0 BGADHN C[C@H]1CCCC[C@H]1CN1CC(C(F)(F)F)C1 ZINC000851856898 588635465 /nfs/dbraw/zinc/63/54/65/588635465.db2.gz HSKXWZQNLWPMFH-UWVGGRQHSA-N 0 3 235.293 3.307 20 0 BGADHN C[C@H]1CCCC[C@@H]1CN1CC(C(F)(F)F)C1 ZINC000851856899 588635351 /nfs/dbraw/zinc/63/53/51/588635351.db2.gz HSKXWZQNLWPMFH-VHSXEESVSA-N 0 3 235.293 3.307 20 0 BGADHN C[C@@H]1CCCC[C@H]1CN1CC(C(F)(F)F)C1 ZINC000851856900 588635323 /nfs/dbraw/zinc/63/53/23/588635323.db2.gz HSKXWZQNLWPMFH-ZJUUUORDSA-N 0 3 235.293 3.307 20 0 BGADHN CC(C)c1cccc(CN2CCOC[C@@H](C)C2)c1 ZINC000851865488 588636274 /nfs/dbraw/zinc/63/62/74/588636274.db2.gz FLTPQAHHVNSIAQ-AWEZNQCLSA-N 0 3 247.382 3.278 20 0 BGADHN CC(C)c1cccc(CN2CCOC[C@H](C)C2)c1 ZINC000851865489 588636230 /nfs/dbraw/zinc/63/62/30/588636230.db2.gz FLTPQAHHVNSIAQ-CQSZACIVSA-N 0 3 247.382 3.278 20 0 BGADHN CC(C)=CCCN1CC[C@H](C(F)(F)F)C1 ZINC000851876003 588638242 /nfs/dbraw/zinc/63/82/42/588638242.db2.gz SNJJTERJLLHKQD-JTQLQIEISA-N 0 3 221.266 3.227 20 0 BGADHN CC(C)=CCCN1CC[C@@H](C(F)(F)F)C1 ZINC000851876004 588638109 /nfs/dbraw/zinc/63/81/09/588638109.db2.gz SNJJTERJLLHKQD-SNVBAGLBSA-N 0 3 221.266 3.227 20 0 BGADHN FC(F)(F)[C@@H]1CCN(CCCC2CCC2)C1 ZINC000851876178 588637969 /nfs/dbraw/zinc/63/79/69/588637969.db2.gz STJRSZNXGQXAQB-LLVKDONJSA-N 0 3 235.293 3.451 20 0 BGADHN FC(F)(F)[C@H]1CCN(CCCC2CCC2)C1 ZINC000851876179 588638290 /nfs/dbraw/zinc/63/82/90/588638290.db2.gz STJRSZNXGQXAQB-NSHDSACASA-N 0 3 235.293 3.451 20 0 BGADHN c1cc(CN2CCC3(CC3)CC2)cs1 ZINC000851876336 588638318 /nfs/dbraw/zinc/63/83/18/588638318.db2.gz AFEIGAGNQXRLLF-UHFFFAOYSA-N 0 3 207.342 3.124 20 0 BGADHN CSc1cccc(CN2CC[C@H]3C[C@H]32)c1 ZINC000851877663 588638761 /nfs/dbraw/zinc/63/87/61/588638761.db2.gz NTBGNNFQVQGUDN-WCQYABFASA-N 0 3 219.353 3.003 20 0 BGADHN CSc1cccc(CN2CC[C@@H]3C[C@@H]32)c1 ZINC000851877664 588638518 /nfs/dbraw/zinc/63/85/18/588638518.db2.gz NTBGNNFQVQGUDN-YPMHNXCESA-N 0 3 219.353 3.003 20 0 BGADHN ClC(Cl)=CCN1CC[C@@H](C2CC2)C1 ZINC000851883453 588639701 /nfs/dbraw/zinc/63/97/01/588639701.db2.gz SVRGXVBTJRJHGU-SECBINFHSA-N 0 3 220.143 3.037 20 0 BGADHN ClC(Cl)=CCN1CC[C@H](C2CC2)C1 ZINC000851883454 588639277 /nfs/dbraw/zinc/63/92/77/588639277.db2.gz SVRGXVBTJRJHGU-VIFPVBQESA-N 0 3 220.143 3.037 20 0 BGADHN C[C@@H]1CCN(Cc2cccc(F)n2)CC12CCC2 ZINC000851890086 588640930 /nfs/dbraw/zinc/64/09/30/588640930.db2.gz TYUDCRRXARKKJR-GFCCVEGCSA-N 0 3 248.345 3.233 20 0 BGADHN C[C@H]1CCN(Cc2cccc(F)n2)CC12CCC2 ZINC000851890087 588641017 /nfs/dbraw/zinc/64/10/17/588641017.db2.gz TYUDCRRXARKKJR-LBPRGKRZSA-N 0 3 248.345 3.233 20 0 BGADHN Fc1ccccc1C1(NCC2CC=CC2)CC1 ZINC000851901444 588641759 /nfs/dbraw/zinc/64/17/59/588641759.db2.gz FGWZJZMNDBYIQK-UHFFFAOYSA-N 0 3 231.314 3.371 20 0 BGADHN CC(C)c1cccc(CN2CCOCC[C@@H]2C)c1 ZINC000851907282 588642612 /nfs/dbraw/zinc/64/26/12/588642612.db2.gz SCZLWBWQNLGMBS-AWEZNQCLSA-N 0 3 247.382 3.421 20 0 BGADHN CC(C)c1cccc(CN2CCOCC[C@H]2C)c1 ZINC000851907284 588642337 /nfs/dbraw/zinc/64/23/37/588642337.db2.gz SCZLWBWQNLGMBS-CQSZACIVSA-N 0 3 247.382 3.421 20 0 BGADHN CC(C)CC[C@@H](NCc1cnon1)C(C)(C)C ZINC000851908717 588642589 /nfs/dbraw/zinc/64/25/89/588642589.db2.gz QKMNUJMEPKRACG-GFCCVEGCSA-N 0 3 239.363 3.010 20 0 BGADHN CC(C)CC[C@H](NCc1cnon1)C(C)(C)C ZINC000851908718 588642363 /nfs/dbraw/zinc/64/23/63/588642363.db2.gz QKMNUJMEPKRACG-LBPRGKRZSA-N 0 3 239.363 3.010 20 0 BGADHN CCCCC[C@@H](NCc1cnon1)C(C)(C)C ZINC000851909183 588642531 /nfs/dbraw/zinc/64/25/31/588642531.db2.gz YHSSRYQVWNNKBG-GFCCVEGCSA-N 0 3 239.363 3.154 20 0 BGADHN CCCCC[C@H](NCc1cnon1)C(C)(C)C ZINC000851909184 588642053 /nfs/dbraw/zinc/64/20/53/588642053.db2.gz YHSSRYQVWNNKBG-LBPRGKRZSA-N 0 3 239.363 3.154 20 0 BGADHN C[C@@H]1CC[C@]2(CCN(Cc3cccc(F)n3)C2)C1 ZINC000851920630 588644031 /nfs/dbraw/zinc/64/40/31/588644031.db2.gz QQUAPFFRNYAICX-DOMZBBRYSA-N 0 3 248.345 3.233 20 0 BGADHN C[C@@H]1CC[C@@]2(CCN(Cc3cccc(F)n3)C2)C1 ZINC000851920631 588643744 /nfs/dbraw/zinc/64/37/44/588643744.db2.gz QQUAPFFRNYAICX-IUODEOHRSA-N 0 3 248.345 3.233 20 0 BGADHN C[C@H]1CC[C@@]2(CCN(Cc3cccc(F)n3)C2)C1 ZINC000851920632 588643970 /nfs/dbraw/zinc/64/39/70/588643970.db2.gz QQUAPFFRNYAICX-SWLSCSKDSA-N 0 3 248.345 3.233 20 0 BGADHN C[C@H]1CC[C@]2(CCN(Cc3cccc(F)n3)C2)C1 ZINC000851920633 588644043 /nfs/dbraw/zinc/64/40/43/588644043.db2.gz QQUAPFFRNYAICX-WFASDCNBSA-N 0 3 248.345 3.233 20 0 BGADHN C[C@@H]1CN(Cc2cccc(F)n2)[C@H]2CCCC[C@H]12 ZINC000851920868 588643920 /nfs/dbraw/zinc/64/39/20/588643920.db2.gz UNRFSBHANDXUSQ-BNOWGMLFSA-N 0 3 248.345 3.231 20 0 BGADHN C[C@@H]1CN(Cc2cccc(F)n2)[C@@H]2CCCC[C@H]21 ZINC000851920869 588644060 /nfs/dbraw/zinc/64/40/60/588644060.db2.gz UNRFSBHANDXUSQ-KWCYVHTRSA-N 0 3 248.345 3.231 20 0 BGADHN C[C@@H]1CN(Cc2cccc(F)n2)[C@@H]2CCCC[C@@H]21 ZINC000851920870 588644080 /nfs/dbraw/zinc/64/40/80/588644080.db2.gz UNRFSBHANDXUSQ-MRVWCRGKSA-N 0 3 248.345 3.231 20 0 BGADHN C[C@@H]1CN(Cc2cccc(F)n2)[C@H]2CCCC[C@@H]12 ZINC000851920871 588644034 /nfs/dbraw/zinc/64/40/34/588644034.db2.gz UNRFSBHANDXUSQ-XBFCOCLRSA-N 0 3 248.345 3.231 20 0 BGADHN C[C@H]1CN(Cc2cccc(F)n2)CC(C)(C)C1 ZINC000851921834 588643847 /nfs/dbraw/zinc/64/38/47/588643847.db2.gz CJHOPLNLXQIMHY-LLVKDONJSA-N 0 3 236.334 3.089 20 0 BGADHN C[C@@H]1CN(Cc2cccc(F)n2)CC(C)(C)C1 ZINC000851921835 588643872 /nfs/dbraw/zinc/64/38/72/588643872.db2.gz CJHOPLNLXQIMHY-NSHDSACASA-N 0 3 236.334 3.089 20 0 BGADHN CN(Cc1cccc(F)n1)C[C@@H]1CC=CCC1 ZINC000851922093 582979187 /nfs/dbraw/zinc/97/91/87/582979187.db2.gz BAOQWZKLNJZKTN-GFCCVEGCSA-N 0 3 234.318 3.009 20 0 BGADHN CN(Cc1cccc(F)n1)C[C@H]1CC=CCC1 ZINC000851922094 582979413 /nfs/dbraw/zinc/97/94/13/582979413.db2.gz BAOQWZKLNJZKTN-LBPRGKRZSA-N 0 3 234.318 3.009 20 0 BGADHN CC(C)(C)[C@@H]1CCN(Cc2cccc(F)n2)C1 ZINC000851924827 588644426 /nfs/dbraw/zinc/64/44/26/588644426.db2.gz RDHFWJBCBDABEY-LLVKDONJSA-N 0 3 236.334 3.089 20 0 BGADHN CC(C)(C)[C@H]1CCN(Cc2cccc(F)n2)C1 ZINC000851924828 588644268 /nfs/dbraw/zinc/64/42/68/588644268.db2.gz RDHFWJBCBDABEY-NSHDSACASA-N 0 3 236.334 3.089 20 0 BGADHN CCC[C@@H]1CCCCN1Cc1cccc(F)n1 ZINC000851934507 588645598 /nfs/dbraw/zinc/64/55/98/588645598.db2.gz KVJYCIVUBTUPAE-CYBMUJFWSA-N 0 3 236.334 3.375 20 0 BGADHN CCC[C@H]1CCCCN1Cc1cccc(F)n1 ZINC000851934508 588645441 /nfs/dbraw/zinc/64/54/41/588645441.db2.gz KVJYCIVUBTUPAE-ZDUSSCGKSA-N 0 3 236.334 3.375 20 0 BGADHN CCC1(CC)CCN(CCOC(F)F)CC1 ZINC000851953962 588647582 /nfs/dbraw/zinc/64/75/82/588647582.db2.gz MBUJEOQXRHNMGD-UHFFFAOYSA-N 0 3 235.318 3.128 20 0 BGADHN CC(C)[C@@H]1CCCN(Cc2cccc(F)n2)C1 ZINC000851966849 588648625 /nfs/dbraw/zinc/64/86/25/588648625.db2.gz CDCDGWQVQYKULC-GFCCVEGCSA-N 0 3 236.334 3.089 20 0 BGADHN CC(C)[C@H]1CCCN(Cc2cccc(F)n2)C1 ZINC000851966850 588648958 /nfs/dbraw/zinc/64/89/58/588648958.db2.gz CDCDGWQVQYKULC-LBPRGKRZSA-N 0 3 236.334 3.089 20 0 BGADHN Fc1cccc(CN2CCCC3(CCCC3)C2)n1 ZINC000851968924 588649192 /nfs/dbraw/zinc/64/91/92/588649192.db2.gz VFEPBLWOQKBNSB-UHFFFAOYSA-N 0 3 248.345 3.377 20 0 BGADHN C[C@@H]1C[C@H](C)[C@@H](C)N(Cc2cccc(F)n2)C1 ZINC000851977121 588650416 /nfs/dbraw/zinc/65/04/16/588650416.db2.gz RNDXZYJXYKDYSD-GRYCIOLGSA-N 0 3 236.334 3.087 20 0 BGADHN C[C@@H]1C[C@@H](C)[C@@H](C)N(Cc2cccc(F)n2)C1 ZINC000851977122 588650739 /nfs/dbraw/zinc/65/07/39/588650739.db2.gz RNDXZYJXYKDYSD-IJLUTSLNSA-N 0 3 236.334 3.087 20 0 BGADHN C[C@@H]1C[C@@H](C)[C@H](C)N(Cc2cccc(F)n2)C1 ZINC000851977123 588650359 /nfs/dbraw/zinc/65/03/59/588650359.db2.gz RNDXZYJXYKDYSD-UTUOFQBUSA-N 0 3 236.334 3.087 20 0 BGADHN C[C@@H]1C[C@H](C)[C@H](C)N(Cc2cccc(F)n2)C1 ZINC000851977124 588650483 /nfs/dbraw/zinc/65/04/83/588650483.db2.gz RNDXZYJXYKDYSD-WOPDTQHZSA-N 0 3 236.334 3.087 20 0 BGADHN c1c(CN2CCCC23CCC3)onc1C1CC1 ZINC000851990145 582990975 /nfs/dbraw/zinc/99/09/75/582990975.db2.gz OPGPIXUKQAPOPX-UHFFFAOYSA-N 0 3 232.327 3.071 20 0 BGADHN CC(C)=CCCN1CCC(F)(F)CC1 ZINC000852001003 588653872 /nfs/dbraw/zinc/65/38/72/588653872.db2.gz BTSULJHNUJCZJG-UHFFFAOYSA-N 0 3 203.276 3.074 20 0 BGADHN FC1(F)CCN(CCCC2CCC2)CC1 ZINC000852001295 588654017 /nfs/dbraw/zinc/65/40/17/588654017.db2.gz HQYGUXXRYGPBHQ-UHFFFAOYSA-N 0 3 217.303 3.298 20 0 BGADHN CN(Cc1cccc(F)n1)[C@@H]1CCC(C)(C)C1 ZINC000852002046 588654452 /nfs/dbraw/zinc/65/44/52/588654452.db2.gz RLFHXAUGQAFXQI-GFCCVEGCSA-N 0 3 236.334 3.231 20 0 BGADHN CN(Cc1cccc(F)n1)[C@H]1CCC(C)(C)C1 ZINC000852002047 588654184 /nfs/dbraw/zinc/65/41/84/588654184.db2.gz RLFHXAUGQAFXQI-LBPRGKRZSA-N 0 3 236.334 3.231 20 0 BGADHN CC[C@H](CC(F)F)CN1CCC(F)(F)CC1 ZINC000852003227 588654276 /nfs/dbraw/zinc/65/42/76/588654276.db2.gz YMGSFKXTBHBFTJ-SECBINFHSA-N 0 3 241.272 3.399 20 0 BGADHN CC[C@@H](CC(F)F)CN1CCC(F)(F)CC1 ZINC000852003228 588654139 /nfs/dbraw/zinc/65/41/39/588654139.db2.gz YMGSFKXTBHBFTJ-VIFPVBQESA-N 0 3 241.272 3.399 20 0 BGADHN C[C@@H]1CC[C@H](C)[C@H]1NCc1cc(C2CC2)no1 ZINC000852037485 588656762 /nfs/dbraw/zinc/65/67/62/588656762.db2.gz SAQYSHPXKIEHFE-MSRIBSCDSA-N 0 3 234.343 3.076 20 0 BGADHN C[C@@H]1CC[C@@H](C)C1NCc1cc(C2CC2)no1 ZINC000852037486 588656691 /nfs/dbraw/zinc/65/66/91/588656691.db2.gz SAQYSHPXKIEHFE-NXEZZACHSA-N 0 3 234.343 3.076 20 0 BGADHN C[C@H]1CC[C@H](C)C1NCc1cc(C2CC2)no1 ZINC000852037487 588656590 /nfs/dbraw/zinc/65/65/90/588656590.db2.gz SAQYSHPXKIEHFE-UWVGGRQHSA-N 0 3 234.343 3.076 20 0 BGADHN c1cc(CN2CC[C@H](c3ccncc3)C2)cs1 ZINC000852058159 588658110 /nfs/dbraw/zinc/65/81/10/588658110.db2.gz BUKWMSNMQBKOMC-AWEZNQCLSA-N 0 3 244.363 3.133 20 0 BGADHN c1cc(CN2CC[C@@H](c3ccncc3)C2)cs1 ZINC000852058160 588658197 /nfs/dbraw/zinc/65/81/97/588658197.db2.gz BUKWMSNMQBKOMC-CQSZACIVSA-N 0 3 244.363 3.133 20 0 BGADHN CC1(C2CC2)CCN(Cc2cccc(F)n2)CC1 ZINC000852062128 588658554 /nfs/dbraw/zinc/65/85/54/588658554.db2.gz ZSSQFBWNQGLIOY-UHFFFAOYSA-N 0 3 248.345 3.233 20 0 BGADHN CCCC[C@@H](C)N(C)Cc1cccc(F)n1 ZINC000852064121 588659053 /nfs/dbraw/zinc/65/90/53/588659053.db2.gz KZHTZPOOWYCFQI-LLVKDONJSA-N 0 3 224.323 3.231 20 0 BGADHN CCCC[C@H](C)N(C)Cc1cccc(F)n1 ZINC000852064122 588658859 /nfs/dbraw/zinc/65/88/59/588658859.db2.gz KZHTZPOOWYCFQI-NSHDSACASA-N 0 3 224.323 3.231 20 0 BGADHN CCN(Cc1cccc(F)n1)CC(C)(C)C ZINC000852072380 588659548 /nfs/dbraw/zinc/65/95/48/588659548.db2.gz YDKKHDCBQXRBNI-UHFFFAOYSA-N 0 3 224.323 3.089 20 0 BGADHN Fc1cccc(CN(C2CCC2)C2CCC2)n1 ZINC000852078516 588660418 /nfs/dbraw/zinc/66/04/18/588660418.db2.gz QSQFWYMIJJAYAW-UHFFFAOYSA-N 0 3 234.318 3.128 20 0 BGADHN CC[C@@H](CC(F)F)CN1CCC[C@@](C)(F)C1 ZINC000852095601 588661802 /nfs/dbraw/zinc/66/18/02/588661802.db2.gz BLDBSSDKLCAJRK-CMPLNLGQSA-N 0 3 237.309 3.492 20 0 BGADHN CC[C@@H](CC(F)F)CN1CCC[C@](C)(F)C1 ZINC000852095604 588661881 /nfs/dbraw/zinc/66/18/81/588661881.db2.gz BLDBSSDKLCAJRK-JQWIXIFHSA-N 0 3 237.309 3.492 20 0 BGADHN CC[C@H](CC(F)F)CN1CCC[C@](C)(F)C1 ZINC000852095606 588662109 /nfs/dbraw/zinc/66/21/09/588662109.db2.gz BLDBSSDKLCAJRK-PWSUYJOCSA-N 0 3 237.309 3.492 20 0 BGADHN CC[C@H](CC(F)F)CN1CCC[C@@](C)(F)C1 ZINC000852095608 588661930 /nfs/dbraw/zinc/66/19/30/588661930.db2.gz BLDBSSDKLCAJRK-ZYHUDNBSSA-N 0 3 237.309 3.492 20 0 BGADHN CO[C@@H](CN1CCC[C@](C)(F)C1)C1CCCC1 ZINC000852096703 588661777 /nfs/dbraw/zinc/66/17/77/588661777.db2.gz MVESNECSIHAEKB-KBPBESRZSA-N 0 3 243.366 3.016 20 0 BGADHN CO[C@H](CN1CCC[C@](C)(F)C1)C1CCCC1 ZINC000852096704 583000776 /nfs/dbraw/zinc/00/07/76/583000776.db2.gz MVESNECSIHAEKB-KGLIPLIRSA-N 0 3 243.366 3.016 20 0 BGADHN CO[C@@H](CN1CCC[C@@](C)(F)C1)C1CCCC1 ZINC000852096705 583001200 /nfs/dbraw/zinc/00/12/00/583001200.db2.gz MVESNECSIHAEKB-UONOGXRCSA-N 0 3 243.366 3.016 20 0 BGADHN CO[C@H](CN1CCC[C@@](C)(F)C1)C1CCCC1 ZINC000852096706 583000852 /nfs/dbraw/zinc/00/08/52/583000852.db2.gz MVESNECSIHAEKB-ZIAGYGMSSA-N 0 3 243.366 3.016 20 0 BGADHN c1c(CN[C@H]2CCC23CCCC3)onc1C1CC1 ZINC000852126119 588665751 /nfs/dbraw/zinc/66/57/51/588665751.db2.gz VFLSJJTXZLTBDV-AWEZNQCLSA-N 0 3 246.354 3.364 20 0 BGADHN c1c(CN[C@@H]2CCC23CCCC3)onc1C1CC1 ZINC000852126120 588665826 /nfs/dbraw/zinc/66/58/26/588665826.db2.gz VFLSJJTXZLTBDV-CQSZACIVSA-N 0 3 246.354 3.364 20 0 BGADHN Cc1nc(CN2CCCCCCCC2)co1 ZINC000852139528 588666610 /nfs/dbraw/zinc/66/66/10/588666610.db2.gz BOXKXUSBAOUFAE-UHFFFAOYSA-N 0 3 222.332 3.139 20 0 BGADHN Cc1nc(CN2CCCCCCCC2)c(C)o1 ZINC000852140027 588666521 /nfs/dbraw/zinc/66/65/21/588666521.db2.gz GTFVYCDWZWKWMY-UHFFFAOYSA-N 0 3 236.359 3.448 20 0 BGADHN Cc1cc(CN2CCCCCCCC2)nc(C)n1 ZINC000852140848 588666820 /nfs/dbraw/zinc/66/68/20/588666820.db2.gz PDBMOLUZQQFFMP-UHFFFAOYSA-N 0 3 247.386 3.250 20 0 BGADHN Fc1cccc(CN2CCCCCCCC2)n1 ZINC000852141845 588666882 /nfs/dbraw/zinc/66/68/82/588666882.db2.gz YDRPAZJDHNAQSK-UHFFFAOYSA-N 0 3 236.334 3.377 20 0 BGADHN CCOC(CN(CC)CCC=C(C)C)OCC ZINC000852143634 588666964 /nfs/dbraw/zinc/66/69/64/588666964.db2.gz PZTRPYONYSVNMK-UHFFFAOYSA-N 0 3 243.391 3.064 20 0 BGADHN CC[C@@H]1CC[C@H](C)N(Cc2cccc(F)n2)C1 ZINC000852146741 588667115 /nfs/dbraw/zinc/66/71/15/588667115.db2.gz SSACKHMWDJPJAV-NWDGAFQWSA-N 0 3 236.334 3.231 20 0 BGADHN CCN(Cc1cccc(F)n1)C1CC(C)(C)C1 ZINC000852176040 588669769 /nfs/dbraw/zinc/66/97/69/588669769.db2.gz QRVAYCBMLSIAIF-UHFFFAOYSA-N 0 3 236.334 3.231 20 0 BGADHN Fc1cccc(CN2CC[C@@H](C3CCCC3)C2)n1 ZINC000852184600 588670777 /nfs/dbraw/zinc/67/07/77/588670777.db2.gz MUHJYHORFFYVFM-CYBMUJFWSA-N 0 3 248.345 3.233 20 0 BGADHN Fc1cccc(CN2CC[C@H](C3CCCC3)C2)n1 ZINC000852184601 588670437 /nfs/dbraw/zinc/67/04/37/588670437.db2.gz MUHJYHORFFYVFM-ZDUSSCGKSA-N 0 3 248.345 3.233 20 0 BGADHN CN(CCC(C)(C)C)Cc1cccc(F)n1 ZINC000852205428 588671708 /nfs/dbraw/zinc/67/17/08/588671708.db2.gz MAMAWRKURYKDSM-UHFFFAOYSA-N 0 3 224.323 3.089 20 0 BGADHN Fc1cccc(CN2CCCC[C@H]2C2CCC2)n1 ZINC000852209539 588672131 /nfs/dbraw/zinc/67/21/31/588672131.db2.gz QYVCJMQMTARGEP-AWEZNQCLSA-N 0 3 248.345 3.375 20 0 BGADHN Fc1cccc(CN2CCCC[C@@H]2C2CCC2)n1 ZINC000852209540 588672125 /nfs/dbraw/zinc/67/21/25/588672125.db2.gz QYVCJMQMTARGEP-CQSZACIVSA-N 0 3 248.345 3.375 20 0 BGADHN ClC1(Cl)C[C@@H]1CN1C[C@@H]2CCCC[C@@H]21 ZINC000852218145 588673638 /nfs/dbraw/zinc/67/36/38/588673638.db2.gz FUHMROAGKRVLCZ-AEJSXWLSSA-N 0 3 234.170 3.055 20 0 BGADHN ClC1(Cl)C[C@H]1CN1C[C@@H]2CCCC[C@@H]21 ZINC000852218246 588673717 /nfs/dbraw/zinc/67/37/17/588673717.db2.gz FUHMROAGKRVLCZ-GUBZILKMSA-N 0 3 234.170 3.055 20 0 BGADHN C[C@@]1(CN2C[C@@H]3CCCC[C@@H]32)CC1(Cl)Cl ZINC000852218888 588672284 /nfs/dbraw/zinc/67/22/84/588672284.db2.gz FGUQYHKDCGHNGB-DCAQKATOSA-N 0 3 248.197 3.445 20 0 BGADHN C[C@]1(CN2C[C@@H]3CCCC[C@@H]32)CC1(Cl)Cl ZINC000852218889 588672426 /nfs/dbraw/zinc/67/24/26/588672426.db2.gz FGUQYHKDCGHNGB-GARJFASQSA-N 0 3 248.197 3.445 20 0 BGADHN ClC1(Cl)C[C@H]1CCN1C[C@@H]2CCCC[C@@H]21 ZINC000852219415 588673723 /nfs/dbraw/zinc/67/37/23/588673723.db2.gz NQVIDMISMICVPA-AXFHLTTASA-N 0 3 248.197 3.445 20 0 BGADHN ClC1(Cl)C[C@@H]1CCN1C[C@@H]2CCCC[C@@H]21 ZINC000852219417 588673752 /nfs/dbraw/zinc/67/37/52/588673752.db2.gz NQVIDMISMICVPA-DCAQKATOSA-N 0 3 248.197 3.445 20 0 BGADHN c1cc(CN2C[C@@H]3CCCC[C@@H]32)cc2c1COC2 ZINC000852220063 588673963 /nfs/dbraw/zinc/67/39/63/588673963.db2.gz HEHBJPXWASYNOZ-BBRMVZONSA-N 0 3 243.350 3.091 20 0 BGADHN Fc1cccc(OCCN2C[C@@H]3CCCC[C@@H]32)c1 ZINC000852220587 588674172 /nfs/dbraw/zinc/67/41/72/588674172.db2.gz UELGRBHELXEOTL-WFASDCNBSA-N 0 3 249.329 3.079 20 0 BGADHN CC[C@@H](C)N(CC)CC1(Br)CC1 ZINC000852290454 588676340 /nfs/dbraw/zinc/67/63/40/588676340.db2.gz ILXRJJVDIAPNBT-SECBINFHSA-N 0 3 234.181 3.034 20 0 BGADHN CC[C@H](C)N(CC)CC1(Br)CC1 ZINC000852290455 588676273 /nfs/dbraw/zinc/67/62/73/588676273.db2.gz ILXRJJVDIAPNBT-VIFPVBQESA-N 0 3 234.181 3.034 20 0 BGADHN CC[C@@H](C)N(CC)Cc1cnc(Cl)c(F)c1 ZINC000852290671 588676377 /nfs/dbraw/zinc/67/63/77/588676377.db2.gz KREUOTRAMMPYSP-SECBINFHSA-N 0 3 244.741 3.495 20 0 BGADHN CC[C@H](C)N(CC)Cc1cnc(Cl)c(F)c1 ZINC000852290678 588676568 /nfs/dbraw/zinc/67/65/68/588676568.db2.gz KREUOTRAMMPYSP-VIFPVBQESA-N 0 3 244.741 3.495 20 0 BGADHN CC[C@@H](C)N(CC)Cc1nc2ccccc2[nH]1 ZINC000852294341 588676867 /nfs/dbraw/zinc/67/68/67/588676867.db2.gz YFILGCQAJXZRTM-LLVKDONJSA-N 0 3 231.343 3.183 20 0 BGADHN CC[C@H](C)N(CC)Cc1nc2ccccc2[nH]1 ZINC000852294342 588676786 /nfs/dbraw/zinc/67/67/86/588676786.db2.gz YFILGCQAJXZRTM-NSHDSACASA-N 0 3 231.343 3.183 20 0 BGADHN CC(=O)CCN(Cc1ccsc1)C(C)(C)C ZINC000852312060 588677944 /nfs/dbraw/zinc/67/79/44/588677944.db2.gz TWHQMWGAGVOVMA-UHFFFAOYSA-N 0 3 239.384 3.328 20 0 BGADHN Cc1cccc(C)c1[C@H]1CCCN1CCF ZINC000852312737 588677928 /nfs/dbraw/zinc/67/79/28/588677928.db2.gz RULAHJGVJIOTBF-CYBMUJFWSA-N 0 3 221.319 3.410 20 0 BGADHN Cc1cccc(C)c1[C@@H]1CCCN1CCF ZINC000852312738 588678057 /nfs/dbraw/zinc/67/80/57/588678057.db2.gz RULAHJGVJIOTBF-ZDUSSCGKSA-N 0 3 221.319 3.410 20 0 BGADHN CC(C)C(=O)CCN1CCC(c2ccco2)CC1 ZINC000852320710 588678368 /nfs/dbraw/zinc/67/83/68/588678368.db2.gz DXRRTYBACBEWKI-UHFFFAOYSA-N 0 3 249.354 3.074 20 0 BGADHN CCC(C)(C)[C@@H](C)NCc1cnc(Cl)cn1 ZINC000852354357 588679447 /nfs/dbraw/zinc/67/94/47/588679447.db2.gz DDLNHFSTCFWJRO-SECBINFHSA-N 0 3 241.766 3.044 20 0 BGADHN CCC(C)(C)[C@H](C)NCc1cnc(Cl)cn1 ZINC000852354358 588679736 /nfs/dbraw/zinc/67/97/36/588679736.db2.gz DDLNHFSTCFWJRO-VIFPVBQESA-N 0 3 241.766 3.044 20 0 BGADHN Cl/C=C/CN1CCC(C2CCC2)CC1 ZINC000852407491 588681068 /nfs/dbraw/zinc/68/10/68/588681068.db2.gz ADMOJJBCVQNJLD-FARCUNLSSA-N 0 3 213.752 3.251 20 0 BGADHN Cl/C=C\CN1CCC(C2CCC2)CC1 ZINC000852407492 588681018 /nfs/dbraw/zinc/68/10/18/588681018.db2.gz ADMOJJBCVQNJLD-UQCOIBPSSA-N 0 3 213.752 3.251 20 0 BGADHN CO[C@@H]1CC[C@@H](N2CC[C@H]2c2ccc(F)cc2)C1 ZINC000852467881 645485058 /nfs/dbraw/zinc/48/50/58/645485058.db2.gz KMEMZCLMXZESKZ-KFWWJZLASA-N 0 3 249.329 3.140 20 0 BGADHN CO[C@@H]1CC[C@@H](N2CC[C@@H]2c2ccc(F)cc2)C1 ZINC000852467882 645484935 /nfs/dbraw/zinc/48/49/35/645484935.db2.gz KMEMZCLMXZESKZ-RBSFLKMASA-N 0 3 249.329 3.140 20 0 BGADHN CO[C@@H]1CC[C@H](N2CC[C@@H]2c2ccc(F)cc2)C1 ZINC000852467883 645485654 /nfs/dbraw/zinc/48/56/54/645485654.db2.gz KMEMZCLMXZESKZ-RRFJBIMHSA-N 0 3 249.329 3.140 20 0 BGADHN CO[C@@H]1CC[C@H](N2CC[C@H]2c2ccc(F)cc2)C1 ZINC000852467884 645485441 /nfs/dbraw/zinc/48/54/41/645485441.db2.gz KMEMZCLMXZESKZ-ZNMIVQPWSA-N 0 3 249.329 3.140 20 0 BGADHN CCCCN1CC2(CCOCC2)[C@@H]1c1ccco1 ZINC000852485101 588684980 /nfs/dbraw/zinc/68/49/80/588684980.db2.gz RBJPDNREYMKVAA-AWEZNQCLSA-N 0 3 249.354 3.233 20 0 BGADHN CCCCN1CC2(CCOCC2)[C@H]1c1ccco1 ZINC000852485104 588685203 /nfs/dbraw/zinc/68/52/03/588685203.db2.gz RBJPDNREYMKVAA-CQSZACIVSA-N 0 3 249.354 3.233 20 0 BGADHN Cc1oncc1CN1CC[C@H](C2CCCCC2)C1 ZINC000852489448 588685446 /nfs/dbraw/zinc/68/54/46/588685446.db2.gz IISOZECNQFKHRR-AWEZNQCLSA-N 0 3 248.370 3.385 20 0 BGADHN Cc1oncc1CN1CC[C@@H](C2CCCCC2)C1 ZINC000852489449 588685236 /nfs/dbraw/zinc/68/52/36/588685236.db2.gz IISOZECNQFKHRR-CQSZACIVSA-N 0 3 248.370 3.385 20 0 BGADHN CCC1(CC)CCCN(Cc2cnc(C)cn2)C1 ZINC000852527251 588687566 /nfs/dbraw/zinc/68/75/66/588687566.db2.gz FKTGSWQLPDHSSL-UHFFFAOYSA-N 0 3 247.386 3.187 20 0 BGADHN CCC1(CC)CCCN(Cc2cnoc2C)C1 ZINC000852527341 588687837 /nfs/dbraw/zinc/68/78/37/588687837.db2.gz GGJXNGGZVFGHEV-UHFFFAOYSA-N 0 3 236.359 3.385 20 0 BGADHN CCC1(CC)CCCN(Cc2cc(C)nn2C)C1 ZINC000852528218 588687840 /nfs/dbraw/zinc/68/78/40/588687840.db2.gz RBIWKNWADDNBGY-UHFFFAOYSA-N 0 3 249.402 3.131 20 0 BGADHN CCC1(CC)CCCN(CCOC(F)F)C1 ZINC000852528695 588687963 /nfs/dbraw/zinc/68/79/63/588687963.db2.gz YSKAWEWZDWUYHW-UHFFFAOYSA-N 0 3 235.318 3.128 20 0 BGADHN CC(C)CC(=O)CCN1CCC[C@H](CCF)C1 ZINC000852531633 588688217 /nfs/dbraw/zinc/68/82/17/588688217.db2.gz SCYDWQBHTOXDGR-CYBMUJFWSA-N 0 3 243.366 3.063 20 0 BGADHN CC(C)CC(=O)CCN1CCC[C@@H](CCF)C1 ZINC000852531634 588688445 /nfs/dbraw/zinc/68/84/45/588688445.db2.gz SCYDWQBHTOXDGR-ZDUSSCGKSA-N 0 3 243.366 3.063 20 0 BGADHN CC[C@@H](NCc1csc(Cl)n1)C1CC1 ZINC000852554838 588689497 /nfs/dbraw/zinc/68/94/97/588689497.db2.gz DLSCNWAPZIPKTH-SECBINFHSA-N 0 3 230.764 3.075 20 0 BGADHN CC[C@H](NCc1csc(Cl)n1)C1CC1 ZINC000852554843 588689597 /nfs/dbraw/zinc/68/95/97/588689597.db2.gz DLSCNWAPZIPKTH-VIFPVBQESA-N 0 3 230.764 3.075 20 0 BGADHN CC[C@@H](NCc1ccc(C)nc1Cl)C1CC1 ZINC000852555324 588689974 /nfs/dbraw/zinc/68/99/74/588689974.db2.gz QDJOJNIUYCHDQQ-GFCCVEGCSA-N 0 3 238.762 3.322 20 0 BGADHN CC[C@H](NCc1ccc(C)nc1Cl)C1CC1 ZINC000852555325 588689848 /nfs/dbraw/zinc/68/98/48/588689848.db2.gz QDJOJNIUYCHDQQ-LBPRGKRZSA-N 0 3 238.762 3.322 20 0 BGADHN CC[C@@H]1CC[C@@H](C)N(Cc2oc(C)nc2C)C1 ZINC000852592058 588692202 /nfs/dbraw/zinc/69/22/02/588692202.db2.gz GNIHLDQXIHENHF-ZWNOBZJWSA-N 0 3 236.359 3.302 20 0 BGADHN CC[C@@H]1CC[C@@H](C)N(Cc2cccc(F)n2)C1 ZINC000852592618 588692522 /nfs/dbraw/zinc/69/25/22/588692522.db2.gz SSACKHMWDJPJAV-VXGBXAGGSA-N 0 3 236.334 3.231 20 0 BGADHN CC[C@@H]1CC[C@@H](C)N(C/C=C\Cl)C1 ZINC000852592682 588692723 /nfs/dbraw/zinc/69/27/23/588692723.db2.gz VIVHWWMJFIBYFV-HQPPDGJXSA-N 0 3 201.741 3.249 20 0 BGADHN CC[C@@H]1CC[C@@H](C)N(C/C=C/Cl)C1 ZINC000852592683 588692703 /nfs/dbraw/zinc/69/27/03/588692703.db2.gz VIVHWWMJFIBYFV-OZSGMGSPSA-N 0 3 201.741 3.249 20 0 BGADHN CC[C@@H]1CC[C@@H](C)N(Cc2ncc(C)s2)C1 ZINC000852592820 588692780 /nfs/dbraw/zinc/69/27/80/588692780.db2.gz WKOXEVPPEWAIIA-ZYHUDNBSSA-N 0 3 238.400 3.462 20 0 BGADHN CC[C@@H]1CC[C@@H](C)N(Cc2ccc(F)cn2)C1 ZINC000852592834 583014994 /nfs/dbraw/zinc/01/49/94/583014994.db2.gz WOOHNDZJTSYJKT-VXGBXAGGSA-N 0 3 236.334 3.231 20 0 BGADHN Cl/C=C/CN1CCC([C@H]2CCCCO2)CC1 ZINC000852594955 588692749 /nfs/dbraw/zinc/69/27/49/588692749.db2.gz PAAMWSMAQYAFLL-LPZVBRGNSA-N 0 3 243.778 3.020 20 0 BGADHN Cl/C=C/CN1CCC([C@@H]2CCCCO2)CC1 ZINC000852594956 588692593 /nfs/dbraw/zinc/69/25/93/588692593.db2.gz PAAMWSMAQYAFLL-MXPWBENCSA-N 0 3 243.778 3.020 20 0 BGADHN Cl/C=C\CN1CCC([C@@H]2CCCCO2)CC1 ZINC000852594957 588692824 /nfs/dbraw/zinc/69/28/24/588692824.db2.gz PAAMWSMAQYAFLL-QTEJZOKPSA-N 0 3 243.778 3.020 20 0 BGADHN Cl/C=C\CN1CCC([C@H]2CCCCO2)CC1 ZINC000852594958 588692677 /nfs/dbraw/zinc/69/26/77/588692677.db2.gz PAAMWSMAQYAFLL-RBWDJNPFSA-N 0 3 243.778 3.020 20 0 BGADHN Cl/C=C\CN1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000852596692 588692628 /nfs/dbraw/zinc/69/26/28/588692628.db2.gz NOFXBIBQYWEIBG-CZESERPMSA-N 0 3 243.778 3.020 20 0 BGADHN Cl/C=C\CN1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000852596693 583015574 /nfs/dbraw/zinc/01/55/74/583015574.db2.gz NOFXBIBQYWEIBG-KNUBNCPHSA-N 0 3 243.778 3.020 20 0 BGADHN Cl/C=C/CN1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000852596694 583015549 /nfs/dbraw/zinc/01/55/49/583015549.db2.gz NOFXBIBQYWEIBG-KVOPJGFESA-N 0 3 243.778 3.020 20 0 BGADHN Cl/C=C/CN1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000852596695 583015208 /nfs/dbraw/zinc/01/52/08/583015208.db2.gz NOFXBIBQYWEIBG-YUZRODSESA-N 0 3 243.778 3.020 20 0 BGADHN c1ccc2c(c1)cncc2CN1CC[C@H]2C[C@H]2C1 ZINC000852634913 588693217 /nfs/dbraw/zinc/69/32/17/588693217.db2.gz KLITUVBCLQSBSN-JSGCOSHPSA-N 0 3 238.334 3.077 20 0 BGADHN c1ccc2c(c1)cncc2CN1CC[C@@H]2C[C@@H]2C1 ZINC000852634916 588693441 /nfs/dbraw/zinc/69/34/41/588693441.db2.gz KLITUVBCLQSBSN-TZMCWYRMSA-N 0 3 238.334 3.077 20 0 BGADHN CCC(CC)CCCN(C)Cc1cnc(C)cn1 ZINC000852671664 588695139 /nfs/dbraw/zinc/69/51/39/588695139.db2.gz WSRZONMFZWUNJJ-UHFFFAOYSA-N 0 3 249.402 3.433 20 0 BGADHN Fc1cccc(CN2CCC[C@@H](C3CCC3)C2)n1 ZINC000852673060 588695118 /nfs/dbraw/zinc/69/51/18/588695118.db2.gz LEAFSTYSGISWEW-CYBMUJFWSA-N 0 3 248.345 3.233 20 0 BGADHN Fc1cccc(CN2CCC[C@H](C3CCC3)C2)n1 ZINC000852673063 588695031 /nfs/dbraw/zinc/69/50/31/588695031.db2.gz LEAFSTYSGISWEW-ZDUSSCGKSA-N 0 3 248.345 3.233 20 0 BGADHN Fc1ccc(CN2CCC[C@@H](C3CCC3)C2)nc1 ZINC000852673338 588694743 /nfs/dbraw/zinc/69/47/43/588694743.db2.gz GZFUHBNZHIYIHE-CYBMUJFWSA-N 0 3 248.345 3.233 20 0 BGADHN Fc1ccc(CN2CCC[C@H](C3CCC3)C2)nc1 ZINC000852673340 588694832 /nfs/dbraw/zinc/69/48/32/588694832.db2.gz GZFUHBNZHIYIHE-ZDUSSCGKSA-N 0 3 248.345 3.233 20 0 BGADHN CCCCCCN1CCC(c2ccon2)CC1 ZINC000852673521 588694752 /nfs/dbraw/zinc/69/47/52/588694752.db2.gz SZUVZIUOTULAJJ-UHFFFAOYSA-N 0 3 236.359 3.434 20 0 BGADHN Cl/C=C\CN1CCC[C@@H](C2CCC2)C1 ZINC000852674051 588695042 /nfs/dbraw/zinc/69/50/42/588695042.db2.gz UJZLUNTZJMHXBZ-AUXFESMGSA-N 0 3 213.752 3.251 20 0 BGADHN Cl/C=C\CN1CCC[C@H](C2CCC2)C1 ZINC000852674052 588694740 /nfs/dbraw/zinc/69/47/40/588694740.db2.gz UJZLUNTZJMHXBZ-MIBUCLJRSA-N 0 3 213.752 3.251 20 0 BGADHN Cl/C=C/CN1CCC[C@H](C2CCC2)C1 ZINC000852674053 588694801 /nfs/dbraw/zinc/69/48/01/588694801.db2.gz UJZLUNTZJMHXBZ-QBODLPLBSA-N 0 3 213.752 3.251 20 0 BGADHN Cl/C=C/CN1CCC[C@@H](C2CCC2)C1 ZINC000852674054 588695035 /nfs/dbraw/zinc/69/50/35/588695035.db2.gz UJZLUNTZJMHXBZ-QDBLGGKGSA-N 0 3 213.752 3.251 20 0 BGADHN CC(C)CC1(NCc2cccc(Cl)n2)CC1 ZINC000852682478 588695668 /nfs/dbraw/zinc/69/56/68/588695668.db2.gz CFLFLGKCMGWNRZ-UHFFFAOYSA-N 0 3 238.762 3.403 20 0 BGADHN CC[C@@H]1CCC[C@H](C)N1Cc1cccc(F)n1 ZINC000852710958 588697187 /nfs/dbraw/zinc/69/71/87/588697187.db2.gz BJHDCQLVXFKTEK-WCQYABFASA-N 0 3 236.334 3.374 20 0 BGADHN CC[C@@H]1CCC[C@H](C)N1Cc1ccc(F)cn1 ZINC000852712487 588697088 /nfs/dbraw/zinc/69/70/88/588697088.db2.gz QJBVLAWWIUDUHV-SMDDNHRTSA-N 0 3 236.334 3.374 20 0 BGADHN CC[C@@H]1CCC[C@H](C)N1Cc1cnoc1C ZINC000852712860 588697706 /nfs/dbraw/zinc/69/77/06/588697706.db2.gz XZNJVUNDSHJFRK-GXFFZTMASA-N 0 3 222.332 3.136 20 0 BGADHN Fc1cccc(CN(CCC2CC2)CC2CC2)n1 ZINC000852716047 588697746 /nfs/dbraw/zinc/69/77/46/588697746.db2.gz GSAVHCOMSAIUTE-UHFFFAOYSA-N 0 3 248.345 3.233 20 0 BGADHN Fc1ccc(CN(CCC2CC2)CC2CC2)nc1 ZINC000852717074 588697997 /nfs/dbraw/zinc/69/79/97/588697997.db2.gz ZOGJSMOIMUFEHG-UHFFFAOYSA-N 0 3 248.345 3.233 20 0 BGADHN CN(C/C=C/Cl)C[C@@H]1CCc2ccccc21 ZINC000852724820 588698058 /nfs/dbraw/zinc/69/80/58/588698058.db2.gz NNYBFHFEUITPPE-FAFAAHBOSA-N 0 3 235.758 3.401 20 0 BGADHN CN(C/C=C\Cl)C[C@@H]1CCc2ccccc21 ZINC000852724821 588698021 /nfs/dbraw/zinc/69/80/21/588698021.db2.gz NNYBFHFEUITPPE-PRUHKGEBSA-N 0 3 235.758 3.401 20 0 BGADHN CN(C/C=C/Cl)C[C@H]1CCc2ccccc21 ZINC000852724822 588697983 /nfs/dbraw/zinc/69/79/83/588697983.db2.gz NNYBFHFEUITPPE-QGQQYVBWSA-N 0 3 235.758 3.401 20 0 BGADHN CN(C/C=C\Cl)C[C@H]1CCc2ccccc21 ZINC000852724823 588698183 /nfs/dbraw/zinc/69/81/83/588698183.db2.gz NNYBFHFEUITPPE-VVOKDJNJSA-N 0 3 235.758 3.401 20 0 BGADHN CCC(=O)CCN(C)C[C@@H]1CCc2ccccc21 ZINC000852724945 588697876 /nfs/dbraw/zinc/69/78/76/588697876.db2.gz RAOHLLNTJKACJE-AWEZNQCLSA-N 0 3 245.366 3.017 20 0 BGADHN CCC(=O)CCN(C)C[C@H]1CCc2ccccc21 ZINC000852724946 588698220 /nfs/dbraw/zinc/69/82/20/588698220.db2.gz RAOHLLNTJKACJE-CQSZACIVSA-N 0 3 245.366 3.017 20 0 BGADHN CN(CCSC(C)(C)C)CC1=CCSC1 ZINC000852746800 588698787 /nfs/dbraw/zinc/69/87/87/588698787.db2.gz PZADIRQHCYUMSF-UHFFFAOYSA-N 0 3 245.457 3.123 20 0 BGADHN Cl/C=C\CN1CC2CC1(c1ccccc1)C2 ZINC000852760769 588700840 /nfs/dbraw/zinc/70/08/40/588700840.db2.gz AQBYMUHRBRUMRO-DAXSKMNVSA-N 0 3 233.742 3.360 20 0 BGADHN Cl/C=C/CN1CC2CC1(c1ccccc1)C2 ZINC000852760770 588700593 /nfs/dbraw/zinc/70/05/93/588700593.db2.gz AQBYMUHRBRUMRO-QPJJXVBHSA-N 0 3 233.742 3.360 20 0 BGADHN CN(Cc1ccnc(Cl)c1)C[C@H]1CC1(C)C ZINC000852771538 588701219 /nfs/dbraw/zinc/70/12/19/588701219.db2.gz GDIIPCKTDAWLJF-LLVKDONJSA-N 0 3 238.762 3.213 20 0 BGADHN CN(Cc1ccnc(Cl)c1)C[C@@H]1CC1(C)C ZINC000852771539 588701379 /nfs/dbraw/zinc/70/13/79/588701379.db2.gz GDIIPCKTDAWLJF-NSHDSACASA-N 0 3 238.762 3.213 20 0 BGADHN CN(Cc1cccc(Cl)n1)C[C@@H]1CC1(C)C ZINC000852773118 588701819 /nfs/dbraw/zinc/70/18/19/588701819.db2.gz WGSFGNQYBWCLAO-JTQLQIEISA-N 0 3 238.762 3.213 20 0 BGADHN CN(Cc1cccc(Cl)n1)C[C@H]1CC1(C)C ZINC000852773120 588701813 /nfs/dbraw/zinc/70/18/13/588701813.db2.gz WGSFGNQYBWCLAO-SNVBAGLBSA-N 0 3 238.762 3.213 20 0 BGADHN CN(Cc1ccc(Cl)nc1)C[C@H]1CC1(C)C ZINC000852773303 588701486 /nfs/dbraw/zinc/70/14/86/588701486.db2.gz XMZRLAZXXWWWEN-LLVKDONJSA-N 0 3 238.762 3.213 20 0 BGADHN CN(Cc1ccc(Cl)nc1)C[C@@H]1CC1(C)C ZINC000852773304 588700798 /nfs/dbraw/zinc/70/07/98/588700798.db2.gz XMZRLAZXXWWWEN-NSHDSACASA-N 0 3 238.762 3.213 20 0 BGADHN CN(C[C@H]1CC1(C)C)C[C@@H]1CC1(Cl)Cl ZINC000852774763 588701947 /nfs/dbraw/zinc/70/19/47/588701947.db2.gz YSMNHAXLRSODRX-BDAKNGLRSA-N 0 3 236.186 3.158 20 0 BGADHN CN(C[C@@H]1CC1(C)C)C[C@H]1CC1(Cl)Cl ZINC000852774764 588701994 /nfs/dbraw/zinc/70/19/94/588701994.db2.gz YSMNHAXLRSODRX-DTWKUNHWSA-N 0 3 236.186 3.158 20 0 BGADHN CN(C[C@@H]1CC1(C)C)C[C@@H]1CC1(Cl)Cl ZINC000852774765 588702003 /nfs/dbraw/zinc/70/20/03/588702003.db2.gz YSMNHAXLRSODRX-IUCAKERBSA-N 0 3 236.186 3.158 20 0 BGADHN CN(C[C@H]1CC1(Cl)Cl)C[C@H]1CC1(C)C ZINC000852774766 588702000 /nfs/dbraw/zinc/70/20/00/588702000.db2.gz YSMNHAXLRSODRX-RKDXNWHRSA-N 0 3 236.186 3.158 20 0 BGADHN C/C=C/CN[C@H](C)c1ccc2c(c1)CCCO2 ZINC000852783593 588702437 /nfs/dbraw/zinc/70/24/37/588702437.db2.gz RLTXJRQHBSBRPN-AAOUONPWSA-N 0 3 231.339 3.238 20 0 BGADHN C/C=C\CN[C@@H](C)c1ccc2c(c1)CCCO2 ZINC000852783594 588702066 /nfs/dbraw/zinc/70/20/66/588702066.db2.gz RLTXJRQHBSBRPN-MVZIDQBPSA-N 0 3 231.339 3.238 20 0 BGADHN C/C=C/CN[C@@H](C)c1ccc2c(c1)CCCO2 ZINC000852783595 588702297 /nfs/dbraw/zinc/70/22/97/588702297.db2.gz RLTXJRQHBSBRPN-PCAWENJQSA-N 0 3 231.339 3.238 20 0 BGADHN C/C=C\CN[C@H](C)c1ccc2c(c1)CCCO2 ZINC000852783596 588702195 /nfs/dbraw/zinc/70/21/95/588702195.db2.gz RLTXJRQHBSBRPN-VSQXVHSFSA-N 0 3 231.339 3.238 20 0 BGADHN Fc1cccc(CN2CCC[C@@H]3CCCC[C@@H]32)n1 ZINC000852786894 588702567 /nfs/dbraw/zinc/70/25/67/588702567.db2.gz GRTXXJLZPFKYFS-JSGCOSHPSA-N 0 3 248.345 3.375 20 0 BGADHN CC12CC(C1)CN2CC[C@@H]1CC1(Cl)Cl ZINC000852787168 588702819 /nfs/dbraw/zinc/70/28/19/588702819.db2.gz SGTQUYFWEPKTCH-HWOCKDDLSA-N 0 3 234.170 3.055 20 0 BGADHN CC12CC(C1)CN2CC[C@H]1CC1(Cl)Cl ZINC000852787170 588702687 /nfs/dbraw/zinc/70/26/87/588702687.db2.gz SGTQUYFWEPKTCH-KYHHOPLUSA-N 0 3 234.170 3.055 20 0 BGADHN CC(C)c1cccc(CNCCOC2CCC2)c1 ZINC000853086390 588719086 /nfs/dbraw/zinc/71/90/86/588719086.db2.gz JTOAVCHCNCYLRL-UHFFFAOYSA-N 0 3 247.382 3.469 20 0 BGADHN C[C@@H](NCC(C)(C)CC(F)(F)F)c1ncc[nH]1 ZINC000853240160 588728250 /nfs/dbraw/zinc/72/82/50/588728250.db2.gz HAHACOBEJWZVRF-MRVPVSSYSA-N 0 3 249.280 3.039 20 0 BGADHN C[C@H](NCC(C)(C)CC(F)(F)F)c1ncc[nH]1 ZINC000853240161 588728150 /nfs/dbraw/zinc/72/81/50/588728150.db2.gz HAHACOBEJWZVRF-QMMMGPOBSA-N 0 3 249.280 3.039 20 0 BGADHN Cc1nc(C)c(COc2cc(C)nc(C)c2C)o1 ZINC000853706382 588758122 /nfs/dbraw/zinc/75/81/22/588758122.db2.gz WTKIBIQNYBNLIB-UHFFFAOYSA-N 0 3 246.310 3.191 20 0 BGADHN Cc1cc(N)ccc1-c1ccc(CN(C)C)cc1 ZINC000854172672 588778105 /nfs/dbraw/zinc/77/81/05/588778105.db2.gz DJVCGUDNQYOZQD-UHFFFAOYSA-N 0 3 240.350 3.306 20 0 BGADHN Cc1ccc(-c2ccc(CN(C)C)cc2)cc1N ZINC000854173059 588778007 /nfs/dbraw/zinc/77/80/07/588778007.db2.gz IREIXWWNICXPPR-UHFFFAOYSA-N 0 3 240.350 3.306 20 0 BGADHN Cc1c(N)cccc1-c1ccc(CN(C)C)cc1 ZINC000854173859 588778015 /nfs/dbraw/zinc/77/80/15/588778015.db2.gz RDWOHXJEFQQLJB-UHFFFAOYSA-N 0 3 240.350 3.306 20 0 BGADHN CCc1cnc(-c2ccc(CN(C)C)cc2)s1 ZINC000854174079 588777994 /nfs/dbraw/zinc/77/79/94/588777994.db2.gz UXIITBHBGNRCBW-UHFFFAOYSA-N 0 3 246.379 3.434 20 0 BGADHN Cc1ccc(-c2ccc(CN(C)C)cc2)c(N)c1 ZINC000854174167 588777939 /nfs/dbraw/zinc/77/79/39/588777939.db2.gz WJDWLCVGGZXZGY-UHFFFAOYSA-N 0 3 240.350 3.306 20 0 BGADHN Cc1cc(-c2ccc(CN(C)C)cc2)ccc1N ZINC000854174291 588778113 /nfs/dbraw/zinc/77/81/13/588778113.db2.gz YSCJLPMAYLRCNC-UHFFFAOYSA-N 0 3 240.350 3.306 20 0 BGADHN Cc1cc(-c2ccc(OCCN(C)C)cc2)co1 ZINC000854199466 588778912 /nfs/dbraw/zinc/77/89/12/588778912.db2.gz CGSUOCVUWHYMTJ-UHFFFAOYSA-N 0 3 245.322 3.195 20 0 BGADHN C[C@@H]1CN(Cc2cncc(Cl)c2)C(C)(C)C1 ZINC000856727363 588875029 /nfs/dbraw/zinc/87/50/29/588875029.db2.gz KWQRZAMZKCFGJZ-JTQLQIEISA-N 0 3 238.762 3.355 20 0 BGADHN C[C@H]1CN(Cc2cncc(Cl)c2)C(C)(C)C1 ZINC000856727364 588875074 /nfs/dbraw/zinc/87/50/74/588875074.db2.gz KWQRZAMZKCFGJZ-SNVBAGLBSA-N 0 3 238.762 3.355 20 0 BGADHN CCCCC[C@H](C)NCc1cn(C)nc1Cl ZINC000856764047 588876379 /nfs/dbraw/zinc/87/63/79/588876379.db2.gz NZWSQOXYLWIEOG-JTQLQIEISA-N 0 3 243.782 3.132 20 0 BGADHN CCCCC[C@@H](C)NCc1cn(C)nc1Cl ZINC000856764048 588876469 /nfs/dbraw/zinc/87/64/69/588876469.db2.gz NZWSQOXYLWIEOG-SNVBAGLBSA-N 0 3 243.782 3.132 20 0 BGADHN CCC(CC)(CC)NCc1cn(C)nc1Cl ZINC000856772509 588875981 /nfs/dbraw/zinc/87/59/81/588875981.db2.gz WDRSYNJUOBDYTO-UHFFFAOYSA-N 0 3 243.782 3.132 20 0 BGADHN CCOc1cncc(CN2CCCCCCC2)c1 ZINC000857011336 588881811 /nfs/dbraw/zinc/88/18/11/588881811.db2.gz BJQXDRJRZCCGPY-UHFFFAOYSA-N 0 3 248.370 3.246 20 0 BGADHN Cc1nccnc1CN(C)C1CCCCCCC1 ZINC000857015010 588882252 /nfs/dbraw/zinc/88/22/52/588882252.db2.gz UMTMXZZSSTZWCB-UHFFFAOYSA-N 0 3 247.386 3.330 20 0 BGADHN CC1CC(CNCc2ccnc(Cl)c2F)C1 ZINC000857062433 588885293 /nfs/dbraw/zinc/88/52/93/588885293.db2.gz AGKJSIBWOJSFTQ-UHFFFAOYSA-N 0 3 242.725 3.010 20 0 BGADHN Cc1cc(CN2CC(CC3CC3)C2)c(C)o1 ZINC000857065853 588885042 /nfs/dbraw/zinc/88/50/42/588885042.db2.gz BGFMGBGMRLQYGM-UHFFFAOYSA-N 0 3 219.328 3.128 20 0 BGADHN Cc1ccncc1CCCN1CC(CC2CC2)C1 ZINC000857066786 588885494 /nfs/dbraw/zinc/88/54/94/588885494.db2.gz VUTPIWPOARFGDW-UHFFFAOYSA-N 0 3 244.382 3.055 20 0 BGADHN CCc1noc(C)c1[C@@H](C)NCC1CC(C)C1 ZINC000857084123 588886419 /nfs/dbraw/zinc/88/64/19/588886419.db2.gz GWHVGIVSRWUBQK-SQLBVSGCSA-N 0 3 236.359 3.242 20 0 BGADHN CCc1noc(C)c1[C@H](C)NCC1CC(C)C1 ZINC000857084124 588886431 /nfs/dbraw/zinc/88/64/31/588886431.db2.gz GWHVGIVSRWUBQK-YZRBJQDESA-N 0 3 236.359 3.242 20 0 BGADHN C[C@@H](NCC1CC(C)C1)c1cccnc1Cl ZINC000857084385 588886321 /nfs/dbraw/zinc/88/63/21/588886321.db2.gz OXLGEHPPHBGFDV-HSOILSAZSA-N 0 3 238.762 3.432 20 0 BGADHN C[C@H](NCC1CC(C)C1)c1cccnc1Cl ZINC000857084386 588886207 /nfs/dbraw/zinc/88/62/07/588886207.db2.gz OXLGEHPPHBGFDV-YVNMAJEFSA-N 0 3 238.762 3.432 20 0 BGADHN c1[nH]nc2c1CCC[C@@H]2NCCC1=CCCCC1 ZINC000857846105 588911970 /nfs/dbraw/zinc/91/19/70/588911970.db2.gz XLDVIWIRNWWOPV-AWEZNQCLSA-N 0 3 245.370 3.267 20 0 BGADHN c1[nH]nc2c1CCC[C@H]2NCCC1=CCCCC1 ZINC000857846114 588911681 /nfs/dbraw/zinc/91/16/81/588911681.db2.gz XLDVIWIRNWWOPV-CQSZACIVSA-N 0 3 245.370 3.267 20 0 BGADHN c1[nH]nc2c1CCC[C@@H]2NCCCC1CCCC1 ZINC000857846997 588912365 /nfs/dbraw/zinc/91/23/65/588912365.db2.gz SGASFHQUODXISG-AWEZNQCLSA-N 0 3 247.386 3.347 20 0 BGADHN c1[nH]nc2c1CCC[C@H]2NCCCC1CCCC1 ZINC000857846999 588912424 /nfs/dbraw/zinc/91/24/24/588912424.db2.gz SGASFHQUODXISG-CQSZACIVSA-N 0 3 247.386 3.347 20 0 BGADHN CC(C)CCCCN[C@@H]1CCCc2c[nH]nc21 ZINC000857855578 588913340 /nfs/dbraw/zinc/91/33/40/588913340.db2.gz TZTGSGYEZUVGHO-CYBMUJFWSA-N 0 3 235.375 3.203 20 0 BGADHN CC(C)CCCCN[C@H]1CCCc2c[nH]nc21 ZINC000857855579 588913689 /nfs/dbraw/zinc/91/36/89/588913689.db2.gz TZTGSGYEZUVGHO-ZDUSSCGKSA-N 0 3 235.375 3.203 20 0 BGADHN CCC1(CN[C@@H]2CCCc3c[nH]nc32)CCCC1 ZINC000857856910 588913259 /nfs/dbraw/zinc/91/32/59/588913259.db2.gz FHXYQXAKGQTNQC-CYBMUJFWSA-N 0 3 247.386 3.347 20 0 BGADHN CCC1(CN[C@H]2CCCc3c[nH]nc32)CCCC1 ZINC000857856911 588913701 /nfs/dbraw/zinc/91/37/01/588913701.db2.gz FHXYQXAKGQTNQC-ZDUSSCGKSA-N 0 3 247.386 3.347 20 0 BGADHN CCCC1(CN[C@@H]2CCCc3c[nH]nc32)CCC1 ZINC000857857172 588914545 /nfs/dbraw/zinc/91/45/45/588914545.db2.gz BBGKFQPZGWVOND-CYBMUJFWSA-N 0 3 247.386 3.347 20 0 BGADHN CCCC1(CN[C@H]2CCCc3c[nH]nc32)CCC1 ZINC000857857173 588914297 /nfs/dbraw/zinc/91/42/97/588914297.db2.gz BBGKFQPZGWVOND-ZDUSSCGKSA-N 0 3 247.386 3.347 20 0 BGADHN CC(C)CC(C)(C)CN[C@@H]1CCCc2c[nH]nc21 ZINC000857857407 588914539 /nfs/dbraw/zinc/91/45/39/588914539.db2.gz DFNZYFZQKKAJGD-CYBMUJFWSA-N 0 3 249.402 3.449 20 0 BGADHN CC(C)CC(C)(C)CN[C@H]1CCCc2c[nH]nc21 ZINC000857857408 588914461 /nfs/dbraw/zinc/91/44/61/588914461.db2.gz DFNZYFZQKKAJGD-ZDUSSCGKSA-N 0 3 249.402 3.449 20 0 BGADHN CC(C)CC1(CN[C@@H]2CCCc3c[nH]nc32)CC1 ZINC000857857991 588914235 /nfs/dbraw/zinc/91/42/35/588914235.db2.gz JMLQHYBHIZEBTD-CYBMUJFWSA-N 0 3 247.386 3.203 20 0 BGADHN CC(C)CC1(CN[C@H]2CCCc3c[nH]nc32)CC1 ZINC000857857992 588914245 /nfs/dbraw/zinc/91/42/45/588914245.db2.gz JMLQHYBHIZEBTD-ZDUSSCGKSA-N 0 3 247.386 3.203 20 0 BGADHN CC[C@H](C)C[C@@H](C)N[C@@H]1CCCc2c[nH]nc21 ZINC000857858301 588914046 /nfs/dbraw/zinc/91/40/46/588914046.db2.gz LYSLEAYLHMNAOB-DMDPSCGWSA-N 0 3 235.375 3.201 20 0 BGADHN CC[C@H](C)C[C@H](C)N[C@@H]1CCCc2c[nH]nc21 ZINC000857858402 588913580 /nfs/dbraw/zinc/91/35/80/588913580.db2.gz LYSLEAYLHMNAOB-GMXVVIOVSA-N 0 3 235.375 3.201 20 0 BGADHN CC[C@H](C)C[C@H](C)N[C@H]1CCCc2c[nH]nc21 ZINC000857858403 588913164 /nfs/dbraw/zinc/91/31/64/588913164.db2.gz LYSLEAYLHMNAOB-GVXVVHGQSA-N 0 3 235.375 3.201 20 0 BGADHN CC[C@H](C)C[C@@H](C)N[C@H]1CCCc2c[nH]nc21 ZINC000857858404 588913420 /nfs/dbraw/zinc/91/34/20/588913420.db2.gz LYSLEAYLHMNAOB-LOWVWBTDSA-N 0 3 235.375 3.201 20 0 BGADHN CC(C)(C)CCCN[C@@H]1CCCc2c[nH]nc21 ZINC000857858950 588914473 /nfs/dbraw/zinc/91/44/73/588914473.db2.gz MGLOHAZENJYWCQ-GFCCVEGCSA-N 0 3 235.375 3.203 20 0 BGADHN CC(C)(C)CCCN[C@H]1CCCc2c[nH]nc21 ZINC000857858952 588914083 /nfs/dbraw/zinc/91/40/83/588914083.db2.gz MGLOHAZENJYWCQ-LBPRGKRZSA-N 0 3 235.375 3.203 20 0 BGADHN CC1(CN[C@@H]2CCCc3c[nH]nc32)CCCCC1 ZINC000857859456 588913834 /nfs/dbraw/zinc/91/38/34/588913834.db2.gz USDYUZOSYHDSAA-CYBMUJFWSA-N 0 3 247.386 3.347 20 0 BGADHN CC1(CN[C@H]2CCCc3c[nH]nc32)CCCCC1 ZINC000857859458 588914137 /nfs/dbraw/zinc/91/41/37/588914137.db2.gz USDYUZOSYHDSAA-ZDUSSCGKSA-N 0 3 247.386 3.347 20 0 BGADHN CC1(C)C(CN[C@@H]2CCCc3c[nH]nc32)C1(C)C ZINC000857863836 588914933 /nfs/dbraw/zinc/91/49/33/588914933.db2.gz DGCWATITTFJGQV-LLVKDONJSA-N 0 3 247.386 3.059 20 0 BGADHN CC1(C)C(CN[C@H]2CCCc3c[nH]nc32)C1(C)C ZINC000857863837 588914776 /nfs/dbraw/zinc/91/47/76/588914776.db2.gz DGCWATITTFJGQV-NSHDSACASA-N 0 3 247.386 3.059 20 0 BGADHN CC(C)(CN[C@@H]1CCCc2c[nH]nc21)C1CCC1 ZINC000857866256 588915875 /nfs/dbraw/zinc/91/58/75/588915875.db2.gz BKXDTYZXGDINIZ-CYBMUJFWSA-N 0 3 247.386 3.203 20 0 BGADHN CC(C)(CN[C@H]1CCCc2c[nH]nc21)C1CCC1 ZINC000857866259 588915551 /nfs/dbraw/zinc/91/55/51/588915551.db2.gz BKXDTYZXGDINIZ-ZDUSSCGKSA-N 0 3 247.386 3.203 20 0 BGADHN CC[C@H]1CC[C@H](N[C@@H]2CCCc3c[nH]nc32)CC1 ZINC000857866710 588915973 /nfs/dbraw/zinc/91/59/73/588915973.db2.gz DZDCIHDEJCSHLS-MRVWCRGKSA-N 0 3 247.386 3.346 20 0 BGADHN CC[C@H]1CC[C@H](N[C@H]2CCCc3c[nH]nc32)CC1 ZINC000857866713 588915627 /nfs/dbraw/zinc/91/56/27/588915627.db2.gz DZDCIHDEJCSHLS-UBHSHLNASA-N 0 3 247.386 3.346 20 0 BGADHN CC(C)C(C)(C)CN[C@@H]1CCCc2c[nH]nc21 ZINC000857866875 588915705 /nfs/dbraw/zinc/91/57/05/588915705.db2.gz YKFMLUNGGSXLGY-GFCCVEGCSA-N 0 3 235.375 3.059 20 0 BGADHN CC(C)C(C)(C)CN[C@H]1CCCc2c[nH]nc21 ZINC000857866877 588916073 /nfs/dbraw/zinc/91/60/73/588916073.db2.gz YKFMLUNGGSXLGY-LBPRGKRZSA-N 0 3 235.375 3.059 20 0 BGADHN CC(C)(C)C(C)(C)CN[C@@H]1CCCc2c[nH]nc21 ZINC000857867029 588914915 /nfs/dbraw/zinc/91/49/15/588914915.db2.gz FMFPHPNQLOLTHY-GFCCVEGCSA-N 0 3 249.402 3.449 20 0 BGADHN CC(C)(C)C(C)(C)CN[C@H]1CCCc2c[nH]nc21 ZINC000857867031 588914950 /nfs/dbraw/zinc/91/49/50/588914950.db2.gz FMFPHPNQLOLTHY-LBPRGKRZSA-N 0 3 249.402 3.449 20 0 BGADHN CC(C)(CCN[C@@H]1CCCc2c[nH]nc21)C1CC1 ZINC000857868223 588916506 /nfs/dbraw/zinc/91/65/06/588916506.db2.gz RCOUYYFWDMGNAK-CYBMUJFWSA-N 0 3 247.386 3.203 20 0 BGADHN CC(C)(CCN[C@H]1CCCc2c[nH]nc21)C1CC1 ZINC000857868224 588916481 /nfs/dbraw/zinc/91/64/81/588916481.db2.gz RCOUYYFWDMGNAK-ZDUSSCGKSA-N 0 3 247.386 3.203 20 0 BGADHN c1[nH]nc2c1CCC[C@H]2NC1(C2CCC2)CCC1 ZINC000857870906 588917752 /nfs/dbraw/zinc/91/77/52/588917752.db2.gz ZTCPBECTHGSMEB-CYBMUJFWSA-N 0 3 245.370 3.100 20 0 BGADHN c1[nH]nc2c1CCC[C@@H]2NC1(C2CCC2)CCC1 ZINC000857870907 588917831 /nfs/dbraw/zinc/91/78/31/588917831.db2.gz ZTCPBECTHGSMEB-ZDUSSCGKSA-N 0 3 245.370 3.100 20 0 BGADHN c1[nH]nc2c1CCC[C@H]2NCC[C@H]1CC=CCC1 ZINC000857871087 588917532 /nfs/dbraw/zinc/91/75/32/588917532.db2.gz LPSIIZOCOJLQLE-GXTWGEPZSA-N 0 3 245.370 3.123 20 0 BGADHN c1[nH]nc2c1CCC[C@@H]2NCC[C@H]1CC=CCC1 ZINC000857871088 588917951 /nfs/dbraw/zinc/91/79/51/588917951.db2.gz LPSIIZOCOJLQLE-JSGCOSHPSA-N 0 3 245.370 3.123 20 0 BGADHN c1[nH]nc2c1CCC[C@@H]2NCC[C@@H]1CC=CCC1 ZINC000857871089 588917393 /nfs/dbraw/zinc/91/73/93/588917393.db2.gz LPSIIZOCOJLQLE-OCCSQVGLSA-N 0 3 245.370 3.123 20 0 BGADHN c1[nH]nc2c1CCC[C@H]2NCC[C@@H]1CC=CCC1 ZINC000857871090 588917335 /nfs/dbraw/zinc/91/73/35/588917335.db2.gz LPSIIZOCOJLQLE-TZMCWYRMSA-N 0 3 245.370 3.123 20 0 BGADHN CCC(C)(C)[C@H](C)N[C@@H]1CCCc2c[nH]nc21 ZINC000857872475 588917330 /nfs/dbraw/zinc/91/73/30/588917330.db2.gz NOSAVBAJMWVIHP-CMPLNLGQSA-N 0 3 235.375 3.201 20 0 BGADHN CCC(C)(C)[C@H](C)N[C@H]1CCCc2c[nH]nc21 ZINC000857872476 588917130 /nfs/dbraw/zinc/91/71/30/588917130.db2.gz NOSAVBAJMWVIHP-JQWIXIFHSA-N 0 3 235.375 3.201 20 0 BGADHN CCC(C)(C)[C@@H](C)N[C@H]1CCCc2c[nH]nc21 ZINC000857872477 588917794 /nfs/dbraw/zinc/91/77/94/588917794.db2.gz NOSAVBAJMWVIHP-PWSUYJOCSA-N 0 3 235.375 3.201 20 0 BGADHN CCC(C)(C)[C@@H](C)N[C@@H]1CCCc2c[nH]nc21 ZINC000857872478 588917640 /nfs/dbraw/zinc/91/76/40/588917640.db2.gz NOSAVBAJMWVIHP-ZYHUDNBSSA-N 0 3 235.375 3.201 20 0 BGADHN CC(C)(C)C[C@@H]1C[C@H]1N[C@H]1CCCc2c[nH]nc21 ZINC000857872638 588917311 /nfs/dbraw/zinc/91/73/11/588917311.db2.gz OORGTTXFQCWUQY-RWMBFGLXSA-N 0 3 247.386 3.201 20 0 BGADHN CC(C)(C)C[C@@H]1C[C@H]1N[C@@H]1CCCc2c[nH]nc21 ZINC000857872639 588917471 /nfs/dbraw/zinc/91/74/71/588917471.db2.gz OORGTTXFQCWUQY-YNEHKIRRSA-N 0 3 247.386 3.201 20 0 BGADHN CCCCCC[C@@H](C)N1CCc2n[nH]cc2C1 ZINC000857877745 588919068 /nfs/dbraw/zinc/91/90/68/588919068.db2.gz HLYOLVZCCRFZBX-GFCCVEGCSA-N 0 3 235.375 3.127 20 0 BGADHN CCCCCC[C@H](C)N1CCc2n[nH]cc2C1 ZINC000857877746 588918611 /nfs/dbraw/zinc/91/86/11/588918611.db2.gz HLYOLVZCCRFZBX-LBPRGKRZSA-N 0 3 235.375 3.127 20 0 BGADHN c1cc2c(cn1)CN([C@H]1C=CCCCCC1)C2 ZINC000857879764 588919429 /nfs/dbraw/zinc/91/94/29/588919429.db2.gz PTFFWZFUACHRGP-HNNXBMFYSA-N 0 3 228.339 3.286 20 0 BGADHN c1cc2c(cn1)CN([C@@H]1C=CCCCCC1)C2 ZINC000857879765 588919044 /nfs/dbraw/zinc/91/90/44/588919044.db2.gz PTFFWZFUACHRGP-OAHLLOKOSA-N 0 3 228.339 3.286 20 0 BGADHN Clc1ccc2c(n1)[C@H](NC1CCCC1)CC2 ZINC000857901704 588922237 /nfs/dbraw/zinc/92/22/37/588922237.db2.gz MNKGPAWRVQAUKA-LLVKDONJSA-N 0 3 236.746 3.255 20 0 BGADHN Clc1ccc2c(n1)[C@@H](NC1CCCC1)CC2 ZINC000857901717 588922094 /nfs/dbraw/zinc/92/20/94/588922094.db2.gz MNKGPAWRVQAUKA-NSHDSACASA-N 0 3 236.746 3.255 20 0 BGADHN Clc1ccc2c(n1)[C@H](NCC1CCC1)CC2 ZINC000857902458 588922163 /nfs/dbraw/zinc/92/21/63/588922163.db2.gz RXCPTZDRGBDHSD-LLVKDONJSA-N 0 3 236.746 3.112 20 0 BGADHN Clc1ccc2c(n1)[C@@H](NCC1CCC1)CC2 ZINC000857902459 588922180 /nfs/dbraw/zinc/92/21/80/588922180.db2.gz RXCPTZDRGBDHSD-NSHDSACASA-N 0 3 236.746 3.112 20 0 BGADHN Clc1ccc2c(n1)[C@@H](N[C@@H]1CC=CCC1)CC2 ZINC000857905282 588922797 /nfs/dbraw/zinc/92/27/97/588922797.db2.gz BSQMYMXSEYORSE-NEPJUHHUSA-N 0 3 248.757 3.421 20 0 BGADHN Clc1ccc2c(n1)[C@H](N[C@H]1CC=CCC1)CC2 ZINC000857905283 588922840 /nfs/dbraw/zinc/92/28/40/588922840.db2.gz BSQMYMXSEYORSE-NWDGAFQWSA-N 0 3 248.757 3.421 20 0 BGADHN Clc1ccc2c(n1)[C@@H](N[C@H]1CC=CCC1)CC2 ZINC000857905284 583212407 /nfs/dbraw/zinc/21/24/07/583212407.db2.gz BSQMYMXSEYORSE-RYUDHWBXSA-N 0 3 248.757 3.421 20 0 BGADHN CC1(CN[C@H]2CCc3ccc(Cl)nc32)CC1 ZINC000857906503 588922809 /nfs/dbraw/zinc/92/28/09/588922809.db2.gz FYAOPCVEXAUONS-JTQLQIEISA-N 0 3 236.746 3.112 20 0 BGADHN CC1(CN[C@@H]2CCc3ccc(Cl)nc32)CC1 ZINC000857906504 588922889 /nfs/dbraw/zinc/92/28/89/588922889.db2.gz FYAOPCVEXAUONS-SNVBAGLBSA-N 0 3 236.746 3.112 20 0 BGADHN CC1CC(N[C@@H]2CCc3ccc(Cl)nc32)C1 ZINC000857908089 588923103 /nfs/dbraw/zinc/92/31/03/588923103.db2.gz VCLWMBRLPVYCPF-BOBPJJCASA-N 0 3 236.746 3.110 20 0 BGADHN CC1CC(N[C@H]2CCc3ccc(Cl)nc32)C1 ZINC000857908090 588923144 /nfs/dbraw/zinc/92/31/44/588923144.db2.gz VCLWMBRLPVYCPF-RFBVYIQQSA-N 0 3 236.746 3.110 20 0 BGADHN Clc1ccc2c(n1)[C@H](NC1(C3CC3)CC1)CC2 ZINC000857908208 588923263 /nfs/dbraw/zinc/92/32/63/588923263.db2.gz BOBFYVGASYDALB-LLVKDONJSA-N 0 3 248.757 3.255 20 0 BGADHN Clc1ccc2c(n1)[C@@H](NC1(C3CC3)CC1)CC2 ZINC000857908209 588922833 /nfs/dbraw/zinc/92/28/33/588922833.db2.gz BOBFYVGASYDALB-NSHDSACASA-N 0 3 248.757 3.255 20 0 BGADHN FCCCCN[C@H]1CCc2ccc(Cl)nc21 ZINC000857912244 588923530 /nfs/dbraw/zinc/92/35/30/588923530.db2.gz DZRDCAVKJNFIMK-JTQLQIEISA-N 0 3 242.725 3.062 20 0 BGADHN FCCCCN[C@@H]1CCc2ccc(Cl)nc21 ZINC000857912245 588923383 /nfs/dbraw/zinc/92/33/83/588923383.db2.gz DZRDCAVKJNFIMK-SNVBAGLBSA-N 0 3 242.725 3.062 20 0 BGADHN CC/C=C\CN[C@H]1CCc2ccc(Cl)nc21 ZINC000857912722 588923403 /nfs/dbraw/zinc/92/34/03/588923403.db2.gz FDDUFCOWYRDXOM-BYCRGOAPSA-N 0 3 236.746 3.278 20 0 BGADHN CC/C=C\CN[C@@H]1CCc2ccc(Cl)nc21 ZINC000857912723 588923443 /nfs/dbraw/zinc/92/34/43/588923443.db2.gz FDDUFCOWYRDXOM-DLRQAJBASA-N 0 3 236.746 3.278 20 0 BGADHN CC/C=C/CN[C@@H]1CCc2ccc(Cl)nc21 ZINC000857912724 588923462 /nfs/dbraw/zinc/92/34/62/588923462.db2.gz FDDUFCOWYRDXOM-PGLGOXFNSA-N 0 3 236.746 3.278 20 0 BGADHN CC/C=C/CN[C@H]1CCc2ccc(Cl)nc21 ZINC000857912725 588923446 /nfs/dbraw/zinc/92/34/46/588923446.db2.gz FDDUFCOWYRDXOM-UFFNRZRYSA-N 0 3 236.746 3.278 20 0 BGADHN C[C@@H](F)CCN[C@@H]1CCc2ccc(Cl)nc21 ZINC000857913612 588923948 /nfs/dbraw/zinc/92/39/48/588923948.db2.gz WGFDXOSQVKFCHU-PSASIEDQSA-N 0 3 242.725 3.060 20 0 BGADHN C[C@@H](F)CCN[C@H]1CCc2ccc(Cl)nc21 ZINC000857913614 588924022 /nfs/dbraw/zinc/92/40/22/588924022.db2.gz WGFDXOSQVKFCHU-SCZZXKLOSA-N 0 3 242.725 3.060 20 0 BGADHN C[C@H](F)CCN[C@@H]1CCc2ccc(Cl)nc21 ZINC000857913615 588923966 /nfs/dbraw/zinc/92/39/66/588923966.db2.gz WGFDXOSQVKFCHU-WCBMZHEXSA-N 0 3 242.725 3.060 20 0 BGADHN C[C@H](F)CCN[C@H]1CCc2ccc(Cl)nc21 ZINC000857913617 588924090 /nfs/dbraw/zinc/92/40/90/588924090.db2.gz WGFDXOSQVKFCHU-WPRPVWTQSA-N 0 3 242.725 3.060 20 0 BGADHN CCC1(N[C@H]2CCc3ccc(Cl)nc32)CC1 ZINC000857913830 588923962 /nfs/dbraw/zinc/92/39/62/588923962.db2.gz ORCSTSDOWGGYIU-JTQLQIEISA-N 0 3 236.746 3.255 20 0 BGADHN CCC1(N[C@@H]2CCc3ccc(Cl)nc32)CC1 ZINC000857913831 588924080 /nfs/dbraw/zinc/92/40/80/588924080.db2.gz ORCSTSDOWGGYIU-SNVBAGLBSA-N 0 3 236.746 3.255 20 0 BGADHN Clc1ccc2c(n1)[C@H](NCC1=CCCC1)CC2 ZINC000857914018 588924027 /nfs/dbraw/zinc/92/40/27/588924027.db2.gz HNTUZGWKSCMPBG-GFCCVEGCSA-N 0 3 248.757 3.422 20 0 BGADHN Clc1ccc2c(n1)[C@@H](NCC1=CCCC1)CC2 ZINC000857914020 588924068 /nfs/dbraw/zinc/92/40/68/588924068.db2.gz HNTUZGWKSCMPBG-LBPRGKRZSA-N 0 3 248.757 3.422 20 0 BGADHN C[C@@H]1CC[C@@H]1N[C@@H]1CCc2ccc(Cl)nc21 ZINC000857914141 588923956 /nfs/dbraw/zinc/92/39/56/588923956.db2.gz ZUJOECCPKXMTPU-DVVUODLYSA-N 0 3 236.746 3.110 20 0 BGADHN C[C@@H]1CC[C@H]1N[C@@H]1CCc2ccc(Cl)nc21 ZINC000857914143 588923921 /nfs/dbraw/zinc/92/39/21/588923921.db2.gz ZUJOECCPKXMTPU-FBIMIBRVSA-N 0 3 236.746 3.110 20 0 BGADHN C[C@@H]1CC[C@H]1N[C@H]1CCc2ccc(Cl)nc21 ZINC000857914145 588923776 /nfs/dbraw/zinc/92/37/76/588923776.db2.gz ZUJOECCPKXMTPU-IEBDPFPHSA-N 0 3 236.746 3.110 20 0 BGADHN C[C@@H]1CC[C@@H]1N[C@H]1CCc2ccc(Cl)nc21 ZINC000857914146 588924054 /nfs/dbraw/zinc/92/40/54/588924054.db2.gz ZUJOECCPKXMTPU-MIMYLULJSA-N 0 3 236.746 3.110 20 0 BGADHN Clc1ccc2c(n1)[C@H](N[C@@H]1C=CCC1)CC2 ZINC000857915595 588923951 /nfs/dbraw/zinc/92/39/51/588923951.db2.gz YGKPJEHRCRXEAC-GHMZBOCLSA-N 0 3 234.730 3.031 20 0 BGADHN Clc1ccc2c(n1)[C@@H](N[C@@H]1C=CCC1)CC2 ZINC000857915596 588924102 /nfs/dbraw/zinc/92/41/02/588924102.db2.gz YGKPJEHRCRXEAC-MNOVXSKESA-N 0 3 234.730 3.031 20 0 BGADHN Clc1ccc2c(n1)[C@@H](N[C@H]1C=CCC1)CC2 ZINC000857915597 588923825 /nfs/dbraw/zinc/92/38/25/588923825.db2.gz YGKPJEHRCRXEAC-QWRGUYRKSA-N 0 3 234.730 3.031 20 0 BGADHN Clc1ccc2c(n1)[C@H](N[C@H]1C=CCC1)CC2 ZINC000857915598 588923864 /nfs/dbraw/zinc/92/38/64/588923864.db2.gz YGKPJEHRCRXEAC-WDEREUQCSA-N 0 3 234.730 3.031 20 0 BGADHN CC1(C)C[C@@H]1N[C@H]1CCc2ccc(Cl)nc21 ZINC000857916592 588923889 /nfs/dbraw/zinc/92/38/89/588923889.db2.gz RAWQLURMWKVICW-UWVGGRQHSA-N 0 3 236.746 3.110 20 0 BGADHN CC1(C)C[C@@H]1N[C@@H]1CCc2ccc(Cl)nc21 ZINC000857916593 588923798 /nfs/dbraw/zinc/92/37/98/588923798.db2.gz RAWQLURMWKVICW-ZJUUUORDSA-N 0 3 236.746 3.110 20 0 BGADHN Clc1ccc2c(n1)[C@@H](N[C@@H]1C[C@H]3C[C@H]3C1)CC2 ZINC000857917226 588923945 /nfs/dbraw/zinc/92/39/45/588923945.db2.gz XFPJRMARZLWLPB-USZNOCQGSA-N 0 3 248.757 3.110 20 0 BGADHN Clc1ccc2c(n1)[C@H](N[C@@H]1C[C@H]3C[C@H]3C1)CC2 ZINC000857917227 588923882 /nfs/dbraw/zinc/92/38/82/588923882.db2.gz XFPJRMARZLWLPB-WRWGMCAJSA-N 0 3 248.757 3.110 20 0 BGADHN Cc1ccccc1[C@@H](C)NCc1ccnc(F)c1 ZINC000858086984 588931613 /nfs/dbraw/zinc/93/16/13/588931613.db2.gz HQPJLYHBTLODNX-GFCCVEGCSA-N 0 3 244.313 3.380 20 0 BGADHN Cc1ccccc1[C@H](C)NCc1ccnc(F)c1 ZINC000858086985 588931736 /nfs/dbraw/zinc/93/17/36/588931736.db2.gz HQPJLYHBTLODNX-LBPRGKRZSA-N 0 3 244.313 3.380 20 0 BGADHN CCNCc1cc(C)c(F)cc1Br ZINC000858088504 588931692 /nfs/dbraw/zinc/93/16/92/588931692.db2.gz HHPLGCBAEPHKLE-UHFFFAOYSA-N 0 3 246.123 3.006 20 0 BGADHN Cc1ccc(CNCc2ccnc(F)c2)c(C)c1 ZINC000858100031 588932882 /nfs/dbraw/zinc/93/28/82/588932882.db2.gz HEPABLNEZKENKY-UHFFFAOYSA-N 0 3 244.313 3.127 20 0 BGADHN Cc1ccc([C@@H](C)NCc2ccnc(F)c2)cc1 ZINC000858100934 588932813 /nfs/dbraw/zinc/93/28/13/588932813.db2.gz SRXBPCOYIBTOLU-GFCCVEGCSA-N 0 3 244.313 3.380 20 0 BGADHN Cc1ccc([C@H](C)NCc2ccnc(F)c2)cc1 ZINC000858100935 588932729 /nfs/dbraw/zinc/93/27/29/588932729.db2.gz SRXBPCOYIBTOLU-LBPRGKRZSA-N 0 3 244.313 3.380 20 0 BGADHN CC(C)(NCc1ccnc(F)c1)c1ccccc1 ZINC000858111617 588933599 /nfs/dbraw/zinc/93/35/99/588933599.db2.gz MFFARCPESULVOR-UHFFFAOYSA-N 0 3 244.313 3.246 20 0 BGADHN CC[C@H](NCc1ccnc(F)c1)c1ccccc1 ZINC000858115299 645670438 /nfs/dbraw/zinc/67/04/38/645670438.db2.gz CYRMZHUHSXOVLR-AWEZNQCLSA-N 0 3 244.313 3.462 20 0 BGADHN CC[C@@H](NCc1ccnc(F)c1)c1ccccc1 ZINC000858115301 645671593 /nfs/dbraw/zinc/67/15/93/645671593.db2.gz CYRMZHUHSXOVLR-CQSZACIVSA-N 0 3 244.313 3.462 20 0 BGADHN CCc1ccccc1CNCc1ccnc(F)c1 ZINC000858142759 588935044 /nfs/dbraw/zinc/93/50/44/588935044.db2.gz LQKNNPGEXWVVNX-UHFFFAOYSA-N 0 3 244.313 3.073 20 0 BGADHN Fc1cc(CN[C@H]2C[C@H]2C2CCCCC2)ccn1 ZINC000858145727 588935399 /nfs/dbraw/zinc/93/53/99/588935399.db2.gz CPLUYTNLOQWFLS-KBPBESRZSA-N 0 3 248.345 3.279 20 0 BGADHN Fc1cc(CN[C@H]2C[C@@H]2C2CCCCC2)ccn1 ZINC000858145728 588935366 /nfs/dbraw/zinc/93/53/66/588935366.db2.gz CPLUYTNLOQWFLS-KGLIPLIRSA-N 0 3 248.345 3.279 20 0 BGADHN Fc1cc(CN[C@@H]2C[C@H]2C2CCCCC2)ccn1 ZINC000858145729 588935336 /nfs/dbraw/zinc/93/53/36/588935336.db2.gz CPLUYTNLOQWFLS-UONOGXRCSA-N 0 3 248.345 3.279 20 0 BGADHN Fc1cc(CN[C@@H]2C[C@@H]2C2CCCCC2)ccn1 ZINC000858145730 588935484 /nfs/dbraw/zinc/93/54/84/588935484.db2.gz CPLUYTNLOQWFLS-ZIAGYGMSSA-N 0 3 248.345 3.279 20 0 BGADHN CC(C)(C)C1CC(NCc2ccnc(F)c2)C1 ZINC000858167871 588936751 /nfs/dbraw/zinc/93/67/51/588936751.db2.gz LBXDJWCDNVVUIG-UHFFFAOYSA-N 0 3 236.334 3.135 20 0 BGADHN Cc1cccc([C@@H](C)NCc2ccnc(F)c2)c1 ZINC000858175398 588937359 /nfs/dbraw/zinc/93/73/59/588937359.db2.gz NCBDBZGWAWZRHD-GFCCVEGCSA-N 0 3 244.313 3.380 20 0 BGADHN Cc1cccc([C@H](C)NCc2ccnc(F)c2)c1 ZINC000858175399 588937256 /nfs/dbraw/zinc/93/72/56/588937256.db2.gz NCBDBZGWAWZRHD-LBPRGKRZSA-N 0 3 244.313 3.380 20 0 BGADHN CC(C)(C)C[C@@H]1C[C@H]1NCc1ccnc(F)c1 ZINC000858185089 588937689 /nfs/dbraw/zinc/93/76/89/588937689.db2.gz RUWONRFNHUPJKX-NWDGAFQWSA-N 0 3 236.334 3.135 20 0 BGADHN Cc1cc(C)cc(CNCc2ccnc(F)c2)c1 ZINC000858189640 588938223 /nfs/dbraw/zinc/93/82/23/588938223.db2.gz PQXITVTUKMVMDV-UHFFFAOYSA-N 0 3 244.313 3.127 20 0 BGADHN Cc1nc(F)ccc1CN[C@@H]1CC12CCCCC2 ZINC000858191478 588938337 /nfs/dbraw/zinc/93/83/37/588938337.db2.gz UJYYQLXIDXCGAO-CYBMUJFWSA-N 0 3 248.345 3.342 20 0 BGADHN Cc1nc(F)ccc1CN[C@H]1CC12CCCCC2 ZINC000858191479 588938120 /nfs/dbraw/zinc/93/81/20/588938120.db2.gz UJYYQLXIDXCGAO-ZDUSSCGKSA-N 0 3 248.345 3.342 20 0 BGADHN Fc1cc(CN[C@@H]2CC23CCCCC3)ccn1 ZINC000858194191 588938461 /nfs/dbraw/zinc/93/84/61/588938461.db2.gz ZJWTWMYUBYNUGV-GFCCVEGCSA-N 0 3 234.318 3.033 20 0 BGADHN Fc1cc(CN[C@H]2CC23CCCCC3)ccn1 ZINC000858194192 588938504 /nfs/dbraw/zinc/93/85/04/588938504.db2.gz ZJWTWMYUBYNUGV-LBPRGKRZSA-N 0 3 234.318 3.033 20 0 BGADHN Fc1cc(CNC2CC3(C2)CCCCC3)ccn1 ZINC000858195106 588938435 /nfs/dbraw/zinc/93/84/35/588938435.db2.gz RSNYBOITBBDRTP-UHFFFAOYSA-N 0 3 248.345 3.423 20 0 BGADHN Cc1ccc(CNCC[C@H]2CCCC2(C)C)nn1 ZINC000858202507 588938651 /nfs/dbraw/zinc/93/86/51/588938651.db2.gz AFSOIGPMYBJPJX-CYBMUJFWSA-N 0 3 247.386 3.091 20 0 BGADHN Cc1ccc(CNCC[C@@H]2CCCC2(C)C)nn1 ZINC000858202508 588938702 /nfs/dbraw/zinc/93/87/02/588938702.db2.gz AFSOIGPMYBJPJX-ZDUSSCGKSA-N 0 3 247.386 3.091 20 0 BGADHN CCC[C@@H](CNCc1cc(C)oc1C)OCC ZINC000858210759 588938862 /nfs/dbraw/zinc/93/88/62/588938862.db2.gz YUOFWYHLLANROJ-AWEZNQCLSA-N 0 3 239.359 3.191 20 0 BGADHN CCC[C@H](CNCc1cc(C)oc1C)OCC ZINC000858210761 588938956 /nfs/dbraw/zinc/93/89/56/588938956.db2.gz YUOFWYHLLANROJ-CQSZACIVSA-N 0 3 239.359 3.191 20 0 BGADHN Cc1ccc(C(C)(C)CNCc2ccoc2)nc1 ZINC000858241599 588940512 /nfs/dbraw/zinc/94/05/12/588940512.db2.gz AESKVCMPQQCZGF-UHFFFAOYSA-N 0 3 244.338 3.050 20 0 BGADHN CCn1ccnc1CNC1(C)CCC(C)(C)CC1 ZINC000858275569 588942094 /nfs/dbraw/zinc/94/20/94/588942094.db2.gz CEYILFKVWOMWAT-UHFFFAOYSA-N 0 3 249.402 3.352 20 0 BGADHN Cc1nc(CNC2(C)CCC(C)(C)CC2)[nH]c1C ZINC000858275740 588942006 /nfs/dbraw/zinc/94/20/06/588942006.db2.gz DIDQSOLDCYVHSU-UHFFFAOYSA-N 0 3 249.402 3.475 20 0 BGADHN Cc1c[nH]c(CNC2(C)CCC(C)(C)CC2)n1 ZINC000858275782 588941900 /nfs/dbraw/zinc/94/19/00/588941900.db2.gz DREUIVGPSGFCNT-UHFFFAOYSA-N 0 3 235.375 3.167 20 0 BGADHN Cc1ccc(CNC2(C)CCC(C)(C)CC2)nn1 ZINC000858275802 588942036 /nfs/dbraw/zinc/94/20/36/588942036.db2.gz FCKHYXXASBBJJK-UHFFFAOYSA-N 0 3 247.386 3.234 20 0 BGADHN Cc1nocc1CNC1(C)CCC(C)(C)CC1 ZINC000858275884 588942104 /nfs/dbraw/zinc/94/21/04/588942104.db2.gz HFPCLQRWFDIVCM-UHFFFAOYSA-N 0 3 236.359 3.432 20 0 BGADHN Cc1c[nH]nc1CNC1(C)CCC(C)(C)CC1 ZINC000858276131 588942070 /nfs/dbraw/zinc/94/20/70/588942070.db2.gz KQDWVXKLAHMMGV-UHFFFAOYSA-N 0 3 235.375 3.167 20 0 BGADHN CC1(C)CCC(C)(NCc2cocn2)CC1 ZINC000858276247 588942098 /nfs/dbraw/zinc/94/20/98/588942098.db2.gz LRASRDJDTQJOHT-UHFFFAOYSA-N 0 3 222.332 3.123 20 0 BGADHN Cc1cc(CNC2(C)CCC(C)(C)CC2)nn1C ZINC000858276725 588941878 /nfs/dbraw/zinc/94/18/78/588941878.db2.gz WEDKARCBBCQELP-UHFFFAOYSA-N 0 3 249.402 3.177 20 0 BGADHN C/C=C\CNCc1ccccc1N1CCCCC1 ZINC000858291337 588942418 /nfs/dbraw/zinc/94/24/18/588942418.db2.gz VRHPIAKIADPHAU-IHWYPQMZSA-N 0 3 244.382 3.343 20 0 BGADHN C/C=C/CNCc1ccccc1N1CCCCC1 ZINC000858291338 588942441 /nfs/dbraw/zinc/94/24/41/588942441.db2.gz VRHPIAKIADPHAU-NSCUHMNNSA-N 0 3 244.382 3.343 20 0 BGADHN FC(F)(F)C1(CNCc2ccoc2)CCCC1 ZINC000858307077 588943618 /nfs/dbraw/zinc/94/36/18/588943618.db2.gz AHMYCDUPWXVXDX-UHFFFAOYSA-N 0 3 247.260 3.492 20 0 BGADHN OCc1cc(NC2CCCCCCC2)ccn1 ZINC000858310028 588943998 /nfs/dbraw/zinc/94/39/98/588943998.db2.gz AYVPCWLGDPDWBP-UHFFFAOYSA-N 0 3 234.343 3.099 20 0 BGADHN C[C@@H](N[C@H](C)[C@@H]1C[C@H]1C1CC1)c1ccns1 ZINC000858318977 588945165 /nfs/dbraw/zinc/94/51/65/588945165.db2.gz VQLPEHUOTADDCM-LSKIRQOJSA-N 0 3 236.384 3.228 20 0 BGADHN C[C@@H](N[C@@H](C)[C@@H]1C[C@H]1C1CC1)c1ccns1 ZINC000858318978 588945111 /nfs/dbraw/zinc/94/51/11/588945111.db2.gz VQLPEHUOTADDCM-QCMRWSPLSA-N 0 3 236.384 3.228 20 0 BGADHN C[C@@H](N[C@@H](C)c1ccns1)[C@@H]1C[C@H]1C1CC1 ZINC000858318979 588945048 /nfs/dbraw/zinc/94/50/48/588945048.db2.gz VQLPEHUOTADDCM-QCZKYFFMSA-N 0 3 236.384 3.228 20 0 BGADHN C[C@H](N[C@@H](C)[C@@H]1C[C@H]1C1CC1)c1ccns1 ZINC000858318980 588944728 /nfs/dbraw/zinc/94/47/28/588944728.db2.gz VQLPEHUOTADDCM-QSFUFRPTSA-N 0 3 236.384 3.228 20 0 BGADHN Clc1ccc2c(c1)[C@@H](NCc1cc[nH]c1)CC2 ZINC000858320628 588945076 /nfs/dbraw/zinc/94/50/76/588945076.db2.gz FZMWRXBJNGLXLZ-AWEZNQCLSA-N 0 3 246.741 3.445 20 0 BGADHN Clc1ccc2c(c1)[C@H](NCc1cc[nH]c1)CC2 ZINC000858320629 588944895 /nfs/dbraw/zinc/94/48/95/588944895.db2.gz FZMWRXBJNGLXLZ-CQSZACIVSA-N 0 3 246.741 3.445 20 0 BGADHN FC1(CN[C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000858321188 588945156 /nfs/dbraw/zinc/94/51/56/588945156.db2.gz VJEVLHFXFQNOOI-GFCCVEGCSA-N 0 3 239.721 3.419 20 0 BGADHN FC1(CN[C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000858321189 588945016 /nfs/dbraw/zinc/94/50/16/588945016.db2.gz VJEVLHFXFQNOOI-LBPRGKRZSA-N 0 3 239.721 3.419 20 0 BGADHN Cc1ccccc1[C@@H](C)Nc1ccnc(CO)c1 ZINC000858333043 588946492 /nfs/dbraw/zinc/94/64/92/588946492.db2.gz UDJGZUHUMPOPDO-GFCCVEGCSA-N 0 3 242.322 3.055 20 0 BGADHN Cc1ccc([C@@H](C)Nc2ccnc(CO)c2)cc1 ZINC000858356361 588948194 /nfs/dbraw/zinc/94/81/94/588948194.db2.gz USDIAMBAKGAXCR-GFCCVEGCSA-N 0 3 242.322 3.055 20 0 BGADHN Cc1ccc([C@H](C)Nc2ccnc(CO)c2)cc1 ZINC000858356362 588948299 /nfs/dbraw/zinc/94/82/99/588948299.db2.gz USDIAMBAKGAXCR-LBPRGKRZSA-N 0 3 242.322 3.055 20 0 BGADHN Cc1ccc([C@H](C)Nc2ccnc(CO)c2)s1 ZINC000858360780 588948854 /nfs/dbraw/zinc/94/88/54/588948854.db2.gz XOLJKTSIWHCPJB-JTQLQIEISA-N 0 3 248.351 3.117 20 0 BGADHN Cc1ccc([C@@H](C)Nc2ccnc(CO)c2)s1 ZINC000858360781 588948990 /nfs/dbraw/zinc/94/89/90/588948990.db2.gz XOLJKTSIWHCPJB-SNVBAGLBSA-N 0 3 248.351 3.117 20 0 BGADHN CC(C)CCC[C@@H](C)Nc1ccnc(CO)c1 ZINC000858363522 588948980 /nfs/dbraw/zinc/94/89/80/588948980.db2.gz WFORAOSSMYJAHH-GFCCVEGCSA-N 0 3 236.359 3.201 20 0 BGADHN CC(C)CCC[C@H](C)Nc1ccnc(CO)c1 ZINC000858363524 588948858 /nfs/dbraw/zinc/94/88/58/588948858.db2.gz WFORAOSSMYJAHH-LBPRGKRZSA-N 0 3 236.359 3.201 20 0 BGADHN CC[C@H](Nc1ccnc(CO)c1)c1ccccc1 ZINC000858370903 588949187 /nfs/dbraw/zinc/94/91/87/588949187.db2.gz TXIODHLIZSVIBZ-HNNXBMFYSA-N 0 3 242.322 3.137 20 0 BGADHN CC[C@@H](Nc1ccnc(CO)c1)c1ccccc1 ZINC000858370904 588949319 /nfs/dbraw/zinc/94/93/19/588949319.db2.gz TXIODHLIZSVIBZ-OAHLLOKOSA-N 0 3 242.322 3.137 20 0 BGADHN c1nc2c(s1)CCC[C@H]2NCCC1CCC1 ZINC000858379860 588949741 /nfs/dbraw/zinc/94/97/41/588949741.db2.gz NEUCOAVYYBQLSA-LLVKDONJSA-N 0 3 236.384 3.300 20 0 BGADHN c1nc2c(s1)CCC[C@@H]2NCCC1CCC1 ZINC000858379861 588949881 /nfs/dbraw/zinc/94/98/81/588949881.db2.gz NEUCOAVYYBQLSA-NSHDSACASA-N 0 3 236.384 3.300 20 0 BGADHN C[C@@H](N[C@@H]1CCCc2scnc21)C1(C)CC1 ZINC000858387687 588950649 /nfs/dbraw/zinc/95/06/49/588950649.db2.gz NDAVCFHXVZISBI-NXEZZACHSA-N 0 3 236.384 3.299 20 0 BGADHN C[C@H](N[C@H]1CCCc2scnc21)C1(C)CC1 ZINC000858387688 588950524 /nfs/dbraw/zinc/95/05/24/588950524.db2.gz NDAVCFHXVZISBI-UWVGGRQHSA-N 0 3 236.384 3.299 20 0 BGADHN C[C@H](N[C@@H]1CCCc2scnc21)C1(C)CC1 ZINC000858387689 588950748 /nfs/dbraw/zinc/95/07/48/588950748.db2.gz NDAVCFHXVZISBI-VHSXEESVSA-N 0 3 236.384 3.299 20 0 BGADHN C[C@@H](N[C@H]1CCCc2scnc21)C1(C)CC1 ZINC000858387690 588950639 /nfs/dbraw/zinc/95/06/39/588950639.db2.gz NDAVCFHXVZISBI-ZJUUUORDSA-N 0 3 236.384 3.299 20 0 BGADHN CC(C)(C)CCCCNc1ccnc(CO)c1 ZINC000858394771 588950996 /nfs/dbraw/zinc/95/09/96/588950996.db2.gz ACUXWDVNFICVIR-UHFFFAOYSA-N 0 3 236.359 3.202 20 0 BGADHN C[C@@H]1CC[C@@H](N[C@@H]2CCCc3scnc32)C1 ZINC000858408289 588952157 /nfs/dbraw/zinc/95/21/57/588952157.db2.gz RGVDFZMVAXBGEC-GMTAPVOTSA-N 0 3 236.384 3.299 20 0 BGADHN C[C@@H]1CC[C@@H](N[C@H]2CCCc3scnc32)C1 ZINC000858408290 588951853 /nfs/dbraw/zinc/95/18/53/588951853.db2.gz RGVDFZMVAXBGEC-MXWKQRLJSA-N 0 3 236.384 3.299 20 0 BGADHN C[C@@H]1CC[C@H](N[C@@H]2CCCc3scnc32)C1 ZINC000858408291 588951955 /nfs/dbraw/zinc/95/19/55/588951955.db2.gz RGVDFZMVAXBGEC-OUAUKWLOSA-N 0 3 236.384 3.299 20 0 BGADHN C[C@@H]1CC[C@H](N[C@H]2CCCc3scnc32)C1 ZINC000858408292 588951775 /nfs/dbraw/zinc/95/17/75/588951775.db2.gz RGVDFZMVAXBGEC-VWYCJHECSA-N 0 3 236.384 3.299 20 0 BGADHN C[C@H](CCC(C)(C)C)Nc1ccnc(CO)c1 ZINC000858416571 588952551 /nfs/dbraw/zinc/95/25/51/588952551.db2.gz WITNOWVHGRHXQL-LLVKDONJSA-N 0 3 236.359 3.201 20 0 BGADHN C[C@@H](CCC(C)(C)C)Nc1ccnc(CO)c1 ZINC000858416572 588952559 /nfs/dbraw/zinc/95/25/59/588952559.db2.gz WITNOWVHGRHXQL-NSHDSACASA-N 0 3 236.359 3.201 20 0 BGADHN CC1(C)CC[C@H]1N[C@H]1CCCc2scnc21 ZINC000858416887 588952932 /nfs/dbraw/zinc/95/29/32/588952932.db2.gz HQIJLCZTENGJBB-GXSJLCMTSA-N 0 3 236.384 3.299 20 0 BGADHN CC1(C)CC[C@@H]1N[C@@H]1CCCc2scnc21 ZINC000858416888 588952871 /nfs/dbraw/zinc/95/28/71/588952871.db2.gz HQIJLCZTENGJBB-KOLCDFICSA-N 0 3 236.384 3.299 20 0 BGADHN CC1(C)CC[C@H]1N[C@@H]1CCCc2scnc21 ZINC000858416889 588952880 /nfs/dbraw/zinc/95/28/80/588952880.db2.gz HQIJLCZTENGJBB-MWLCHTKSSA-N 0 3 236.384 3.299 20 0 BGADHN CC1(C)CC[C@@H]1N[C@H]1CCCc2scnc21 ZINC000858416890 588953079 /nfs/dbraw/zinc/95/30/79/588953079.db2.gz HQIJLCZTENGJBB-ONGXEEELSA-N 0 3 236.384 3.299 20 0 BGADHN CC[C@@H](C)c1ccc([C@@H](C)N[C@@H]2CC[C@H]2O)cc1 ZINC000858428301 588953941 /nfs/dbraw/zinc/95/39/41/588953941.db2.gz RMVIXHMROJEDLU-CZPYZCIJSA-N 0 3 247.382 3.374 20 0 BGADHN CC[C@@H](C)c1ccc([C@H](C)N[C@@H]2CC[C@H]2O)cc1 ZINC000858428302 588953966 /nfs/dbraw/zinc/95/39/66/588953966.db2.gz RMVIXHMROJEDLU-NOXHYTERSA-N 0 3 247.382 3.374 20 0 BGADHN CC[C@H](C)c1ccc([C@@H](C)N[C@@H]2CC[C@H]2O)cc1 ZINC000858428303 588953920 /nfs/dbraw/zinc/95/39/20/588953920.db2.gz RMVIXHMROJEDLU-UAXWRAGISA-N 0 3 247.382 3.374 20 0 BGADHN CC[C@H](C)c1ccc([C@H](C)N[C@@H]2CC[C@H]2O)cc1 ZINC000858428304 588953918 /nfs/dbraw/zinc/95/39/18/588953918.db2.gz RMVIXHMROJEDLU-YXAMBPQSSA-N 0 3 247.382 3.374 20 0 BGADHN CC(C)CC(C)(C)CNc1ccnc(CO)c1 ZINC000858439055 588954736 /nfs/dbraw/zinc/95/47/36/588954736.db2.gz KSQLDVBGWGSHJI-UHFFFAOYSA-N 0 3 236.359 3.058 20 0 BGADHN CCC(CC)(CC)CNc1ccnc(CO)c1 ZINC000858444738 588955243 /nfs/dbraw/zinc/95/52/43/588955243.db2.gz QHZASHASYHHLFI-UHFFFAOYSA-N 0 3 236.359 3.202 20 0 BGADHN CCCCC[C@H]1CCCN1c1ccnc(CO)c1 ZINC000858450674 588956086 /nfs/dbraw/zinc/95/60/86/588956086.db2.gz KZHMMQJCFJBXMJ-AWEZNQCLSA-N 0 3 248.370 3.123 20 0 BGADHN CCCCC[C@@H]1CCCN1c1ccnc(CO)c1 ZINC000858450675 588955938 /nfs/dbraw/zinc/95/59/38/588955938.db2.gz KZHMMQJCFJBXMJ-CQSZACIVSA-N 0 3 248.370 3.123 20 0 BGADHN CC(C)(CNc1ccnc(CO)c1)C1CCCC1 ZINC000858456656 582460859 /nfs/dbraw/zinc/46/08/59/582460859.db2.gz IYILWAYBUJTKAG-UHFFFAOYSA-N 0 3 248.370 3.202 20 0 BGADHN C[C@H](NCC1CC=CC1)c1cccnc1Cl ZINC000858460680 588957000 /nfs/dbraw/zinc/95/70/00/588957000.db2.gz CFVTYDZRFDKBBD-JTQLQIEISA-N 0 3 236.746 3.352 20 0 BGADHN C[C@@H](NCC1CC=CC1)c1cccnc1Cl ZINC000858460681 588957099 /nfs/dbraw/zinc/95/70/99/588957099.db2.gz CFVTYDZRFDKBBD-SNVBAGLBSA-N 0 3 236.746 3.352 20 0 BGADHN OCc1cc(NCCC2=CCCCCC2)ccn1 ZINC000858487264 588960174 /nfs/dbraw/zinc/96/01/74/588960174.db2.gz WTXHQNQHONRXTP-UHFFFAOYSA-N 0 3 246.354 3.266 20 0 BGADHN CCC(F)(F)C(C)(C)CN[C@H](C)c1ncc[nH]1 ZINC000858514411 588961650 /nfs/dbraw/zinc/96/16/50/588961650.db2.gz SNVXSOGFUHNEPD-SECBINFHSA-N 0 3 245.317 3.132 20 0 BGADHN CCC(F)(F)C(C)(C)CN[C@@H](C)c1ncc[nH]1 ZINC000858514421 588962025 /nfs/dbraw/zinc/96/20/25/588962025.db2.gz SNVXSOGFUHNEPD-VIFPVBQESA-N 0 3 245.317 3.132 20 0 BGADHN C/C=C\CN[C@H](C)c1ccc(F)cc1C ZINC000858536307 588963502 /nfs/dbraw/zinc/96/35/02/588963502.db2.gz FYOSUOXCEYVFSR-DOGVGXBMSA-N 0 3 207.292 3.361 20 0 BGADHN C/C=C/CN[C@H](C)c1ccc(F)cc1C ZINC000858536309 588961916 /nfs/dbraw/zinc/96/19/16/588961916.db2.gz FYOSUOXCEYVFSR-SGUJLRQBSA-N 0 3 207.292 3.361 20 0 BGADHN C/C=C\CN[C@@H](C)c1ccc(F)cc1C ZINC000858536311 588962404 /nfs/dbraw/zinc/96/24/04/588962404.db2.gz FYOSUOXCEYVFSR-WYGGZMRJSA-N 0 3 207.292 3.361 20 0 BGADHN C/C=C/CN[C@@H](C)c1ccc(F)cc1C ZINC000858536312 588962385 /nfs/dbraw/zinc/96/23/85/588962385.db2.gz FYOSUOXCEYVFSR-ZWNMCFTASA-N 0 3 207.292 3.361 20 0 BGADHN C/C=C\CN[C@H]1CCc2cc(C)ccc21 ZINC000858538663 588963606 /nfs/dbraw/zinc/96/36/06/588963606.db2.gz XUVMKCYQHZLVIY-NQHOJNORSA-N 0 3 201.313 3.148 20 0 BGADHN C/C=C/CN[C@@H]1CCc2cc(C)ccc21 ZINC000858538664 588963766 /nfs/dbraw/zinc/96/37/66/588963766.db2.gz XUVMKCYQHZLVIY-RDFMZFSFSA-N 0 3 201.313 3.148 20 0 BGADHN C/C=C\CN[C@@H]1CCc2cc(C)ccc21 ZINC000858538666 588963560 /nfs/dbraw/zinc/96/35/60/588963560.db2.gz XUVMKCYQHZLVIY-VQTKUKTRSA-N 0 3 201.313 3.148 20 0 BGADHN C/C=C/CN[C@H]1CCc2cc(C)ccc21 ZINC000858538667 588963684 /nfs/dbraw/zinc/96/36/84/588963684.db2.gz XUVMKCYQHZLVIY-XGACYXMMSA-N 0 3 201.313 3.148 20 0 BGADHN CC(C)(C)C(C)(C)CNc1ccnc(CO)c1 ZINC000858554185 588965076 /nfs/dbraw/zinc/96/50/76/588965076.db2.gz CKCZIGBDICMGMO-UHFFFAOYSA-N 0 3 236.359 3.058 20 0 BGADHN CC(C)=CCC[C@@H](C)Nc1ccnc(CO)c1 ZINC000858559533 588965718 /nfs/dbraw/zinc/96/57/18/588965718.db2.gz KQBDSIVJWRXOSN-GFCCVEGCSA-N 0 3 234.343 3.121 20 0 BGADHN CC(C)=CCC[C@H](C)Nc1ccnc(CO)c1 ZINC000858559536 588965656 /nfs/dbraw/zinc/96/56/56/588965656.db2.gz KQBDSIVJWRXOSN-LBPRGKRZSA-N 0 3 234.343 3.121 20 0 BGADHN CC(C)(CNc1ccnc(CO)c1)C1=CCCC1 ZINC000858566756 588966750 /nfs/dbraw/zinc/96/67/50/588966750.db2.gz ZUOMUPQPSJJNPV-UHFFFAOYSA-N 0 3 246.354 3.122 20 0 BGADHN CCC[C@H](Nc1ccnc(CO)c1)C1CCCC1 ZINC000858568747 588967295 /nfs/dbraw/zinc/96/72/95/588967295.db2.gz RDRJKHJGJPMWLG-HNNXBMFYSA-N 0 3 248.370 3.345 20 0 BGADHN CCC[C@@H](Nc1ccnc(CO)c1)C1CCCC1 ZINC000858568748 588967242 /nfs/dbraw/zinc/96/72/42/588967242.db2.gz RDRJKHJGJPMWLG-OAHLLOKOSA-N 0 3 248.370 3.345 20 0 BGADHN CC(C)(C)[C@H]1CCC[C@@H]1Nc1ccnc(CO)c1 ZINC000858569623 588967404 /nfs/dbraw/zinc/96/74/04/588967404.db2.gz MBMLMKXVSKNXQU-KBPBESRZSA-N 0 3 248.370 3.201 20 0 BGADHN CC(C)(C)[C@@H]1CCC[C@@H]1Nc1ccnc(CO)c1 ZINC000858569624 588967324 /nfs/dbraw/zinc/96/73/24/588967324.db2.gz MBMLMKXVSKNXQU-KGLIPLIRSA-N 0 3 248.370 3.201 20 0 BGADHN CC(C)(C)[C@H]1CCC[C@H]1Nc1ccnc(CO)c1 ZINC000858569625 588967532 /nfs/dbraw/zinc/96/75/32/588967532.db2.gz MBMLMKXVSKNXQU-UONOGXRCSA-N 0 3 248.370 3.201 20 0 BGADHN CC(C)(C)[C@@H]1CCC[C@H]1Nc1ccnc(CO)c1 ZINC000858569626 588967135 /nfs/dbraw/zinc/96/71/35/588967135.db2.gz MBMLMKXVSKNXQU-ZIAGYGMSSA-N 0 3 248.370 3.201 20 0 BGADHN C[C@H](N[C@@H]1CCC12CCC2)c1ccns1 ZINC000858576105 588968068 /nfs/dbraw/zinc/96/80/68/588968068.db2.gz IBNPAJZYCRFLJL-GXSJLCMTSA-N 0 3 222.357 3.126 20 0 BGADHN C[C@@H](N[C@H]1CCC12CCC2)c1ccns1 ZINC000858576106 588968261 /nfs/dbraw/zinc/96/82/61/588968261.db2.gz IBNPAJZYCRFLJL-KOLCDFICSA-N 0 3 222.357 3.126 20 0 BGADHN C[C@@H](N[C@@H]1CCC12CCC2)c1ccns1 ZINC000858576107 588968395 /nfs/dbraw/zinc/96/83/95/588968395.db2.gz IBNPAJZYCRFLJL-MWLCHTKSSA-N 0 3 222.357 3.126 20 0 BGADHN C[C@H](N[C@H]1CCC12CCC2)c1ccns1 ZINC000858576108 588968313 /nfs/dbraw/zinc/96/83/13/588968313.db2.gz IBNPAJZYCRFLJL-ONGXEEELSA-N 0 3 222.357 3.126 20 0 BGADHN CC(C)[C@H]1CC[C@@H]1N[C@@H](C)c1ccns1 ZINC000858576720 588968441 /nfs/dbraw/zinc/96/84/41/588968441.db2.gz MVBSAFPFTDORHW-AXFHLTTASA-N 0 3 224.373 3.228 20 0 BGADHN CC(C)[C@@H]1CC[C@@H]1N[C@@H](C)c1ccns1 ZINC000858576721 588968455 /nfs/dbraw/zinc/96/84/55/588968455.db2.gz MVBSAFPFTDORHW-DCAQKATOSA-N 0 3 224.373 3.228 20 0 BGADHN CC(C)[C@@H]1CC[C@H]1N[C@@H](C)c1ccns1 ZINC000858576866 588966153 /nfs/dbraw/zinc/96/61/53/588966153.db2.gz MVBSAFPFTDORHW-GARJFASQSA-N 0 3 224.373 3.228 20 0 BGADHN CC(C)[C@H]1CC[C@H]1N[C@@H](C)c1ccns1 ZINC000858576867 588966219 /nfs/dbraw/zinc/96/62/19/588966219.db2.gz MVBSAFPFTDORHW-HBNTYKKESA-N 0 3 224.373 3.228 20 0 BGADHN C[C@H](CCC1CC1)N[C@H](C)c1ccns1 ZINC000858577508 588968085 /nfs/dbraw/zinc/96/80/85/588968085.db2.gz QSSQJLGSIMBZCL-NXEZZACHSA-N 0 3 224.373 3.372 20 0 BGADHN C[C@@H](CCC1CC1)N[C@@H](C)c1ccns1 ZINC000858577509 588968406 /nfs/dbraw/zinc/96/84/06/588968406.db2.gz QSSQJLGSIMBZCL-UWVGGRQHSA-N 0 3 224.373 3.372 20 0 BGADHN C[C@@H](N[C@@H](C)CCC1CC1)c1ccns1 ZINC000858577510 588968270 /nfs/dbraw/zinc/96/82/70/588968270.db2.gz QSSQJLGSIMBZCL-VHSXEESVSA-N 0 3 224.373 3.372 20 0 BGADHN C[C@H](CCC1CC1)N[C@@H](C)c1ccns1 ZINC000858577511 588968447 /nfs/dbraw/zinc/96/84/47/588968447.db2.gz QSSQJLGSIMBZCL-ZJUUUORDSA-N 0 3 224.373 3.372 20 0 BGADHN C[C@H](N[C@H]1CC[C@H]1C1CCC1)c1ccns1 ZINC000858578022 588968134 /nfs/dbraw/zinc/96/81/34/588968134.db2.gz WXTZBWKZUQIZLY-DLOVCJGASA-N 0 3 236.384 3.372 20 0 BGADHN C[C@H](N[C@@H]1CC[C@@H]1C1CCC1)c1ccns1 ZINC000858578023 588968281 /nfs/dbraw/zinc/96/82/81/588968281.db2.gz WXTZBWKZUQIZLY-MVWJERBFSA-N 0 3 236.384 3.372 20 0 BGADHN C[C@H](N[C@H]1CC[C@@H]1C1CCC1)c1ccns1 ZINC000858578024 588968351 /nfs/dbraw/zinc/96/83/51/588968351.db2.gz WXTZBWKZUQIZLY-WCQGTBRESA-N 0 3 236.384 3.372 20 0 BGADHN C[C@H](N[C@@H]1CC[C@H]1C1CCC1)c1ccns1 ZINC000858578025 588968359 /nfs/dbraw/zinc/96/83/59/588968359.db2.gz WXTZBWKZUQIZLY-ZMLRMANQSA-N 0 3 236.384 3.372 20 0 BGADHN CN(Cc1ccnc(F)c1)CC1CCCCC1 ZINC000859055242 588994406 /nfs/dbraw/zinc/99/44/06/588994406.db2.gz IYKNKVWPEDOOJY-UHFFFAOYSA-N 0 3 236.334 3.233 20 0 BGADHN CN(Cc1ccnc(F)c1)C1CCCCCC1 ZINC000859056580 588994838 /nfs/dbraw/zinc/99/48/38/588994838.db2.gz RANHUDQRXVXEDR-UHFFFAOYSA-N 0 3 236.334 3.375 20 0 BGADHN CC1CCC(N(C)Cc2ccnc(F)c2)CC1 ZINC000859058878 588995316 /nfs/dbraw/zinc/99/53/16/588995316.db2.gz ISZCKNGCFQFZQC-UHFFFAOYSA-N 0 3 236.334 3.231 20 0 BGADHN C[C@H](N(C)Cc1ccnc(F)c1)C(C)(C)C ZINC000859071809 588997104 /nfs/dbraw/zinc/99/71/04/588997104.db2.gz BBYCMHQYMCAWIU-JTQLQIEISA-N 0 3 224.323 3.087 20 0 BGADHN C[C@@H](N(C)Cc1ccnc(F)c1)C(C)(C)C ZINC000859071810 588997077 /nfs/dbraw/zinc/99/70/77/588997077.db2.gz BBYCMHQYMCAWIU-SNVBAGLBSA-N 0 3 224.323 3.087 20 0 BGADHN Cc1noc(C)c1CN(C)CC1CC(C)(C)C1 ZINC000859073780 588996998 /nfs/dbraw/zinc/99/69/98/588996998.db2.gz YAVFZFKXFWSXSD-UHFFFAOYSA-N 0 3 236.359 3.159 20 0 BGADHN CCC(CC)CN(CC)Cc1ccnc(F)c1 ZINC000859074902 588997515 /nfs/dbraw/zinc/99/75/15/588997515.db2.gz OHXXJWDGCCAFOR-UHFFFAOYSA-N 0 3 238.350 3.479 20 0 BGADHN C[C@H]1CCC[C@H](N(C)Cc2ccnc(F)c2)C1 ZINC000859076421 588997723 /nfs/dbraw/zinc/99/77/23/588997723.db2.gz IIONRMUIFVVFMP-AAEUAGOBSA-N 0 3 236.334 3.231 20 0 BGADHN C[C@@H]1CCC[C@@H](N(C)Cc2ccnc(F)c2)C1 ZINC000859076423 588997889 /nfs/dbraw/zinc/99/78/89/588997889.db2.gz IIONRMUIFVVFMP-DGCLKSJQSA-N 0 3 236.334 3.231 20 0 BGADHN C[C@H]1CCC[C@@H](N(C)Cc2ccnc(F)c2)C1 ZINC000859076424 588997665 /nfs/dbraw/zinc/99/76/65/588997665.db2.gz IIONRMUIFVVFMP-WCQYABFASA-N 0 3 236.334 3.231 20 0 BGADHN C[C@@H]1CCC[C@H](N(C)Cc2ccnc(F)c2)C1 ZINC000859076426 588997747 /nfs/dbraw/zinc/99/77/47/588997747.db2.gz IIONRMUIFVVFMP-YPMHNXCESA-N 0 3 236.334 3.231 20 0 BGADHN CC(C)[C@@H](C)N(Cc1ccnc(F)c1)C1CC1 ZINC000859077091 588997993 /nfs/dbraw/zinc/99/79/93/588997993.db2.gz MSXDSBGTYJFDGV-LLVKDONJSA-N 0 3 236.334 3.230 20 0 BGADHN CC(C)[C@H](C)N(Cc1ccnc(F)c1)C1CC1 ZINC000859077093 588998335 /nfs/dbraw/zinc/99/83/35/588998335.db2.gz MSXDSBGTYJFDGV-NSHDSACASA-N 0 3 236.334 3.230 20 0 BGADHN CC(C)CCN(Cc1ccnc(F)c1)C1CC1 ZINC000859077721 588998226 /nfs/dbraw/zinc/99/82/26/588998226.db2.gz UJOLKXNUSXGAGA-UHFFFAOYSA-N 0 3 236.334 3.231 20 0 BGADHN Fc1cc(CN2CCC[C@H]2C2CCCC2)ccn1 ZINC000859088277 588999548 /nfs/dbraw/zinc/99/95/48/588999548.db2.gz JIEMNIWZWXCSKC-AWEZNQCLSA-N 0 3 248.345 3.375 20 0 BGADHN Fc1cc(CN2CCC[C@@H]2C2CCCC2)ccn1 ZINC000859088278 588999569 /nfs/dbraw/zinc/99/95/69/588999569.db2.gz JIEMNIWZWXCSKC-CQSZACIVSA-N 0 3 248.345 3.375 20 0 BGADHN CC(C)C[C@H]1CCCN1Cc1ccnc(F)c1 ZINC000859105683 589003078 /nfs/dbraw/zinc/00/30/78/589003078.db2.gz OALOELSJORXUFJ-CYBMUJFWSA-N 0 3 236.334 3.231 20 0 BGADHN CC(C)C[C@@H]1CCCN1Cc1ccnc(F)c1 ZINC000859105684 589002847 /nfs/dbraw/zinc/00/28/47/589002847.db2.gz OALOELSJORXUFJ-ZDUSSCGKSA-N 0 3 236.334 3.231 20 0 BGADHN CCC1(C)CCN(Cc2ccnc(F)c2)CC1 ZINC000859112958 589003700 /nfs/dbraw/zinc/00/37/00/589003700.db2.gz JEVIHNYOPLLLEA-UHFFFAOYSA-N 0 3 236.334 3.233 20 0 BGADHN CCC(CC)N(Cc1ccnc(F)c1)C1CC1 ZINC000859115173 589003864 /nfs/dbraw/zinc/00/38/64/589003864.db2.gz UPUONZOVMAYSJJ-UHFFFAOYSA-N 0 3 236.334 3.374 20 0 BGADHN CC(C)(C)[C@H]1CCCN1Cc1ccnc(F)c1 ZINC000859119590 589004791 /nfs/dbraw/zinc/00/47/91/589004791.db2.gz DPJBRHFIQVRXOA-GFCCVEGCSA-N 0 3 236.334 3.231 20 0 BGADHN CC(C)(C)[C@@H]1CCCN1Cc1ccnc(F)c1 ZINC000859119591 589005097 /nfs/dbraw/zinc/00/50/97/589005097.db2.gz DPJBRHFIQVRXOA-LBPRGKRZSA-N 0 3 236.334 3.231 20 0 BGADHN Fc1cc(CN(C2CC2)C2CCCC2)ccn1 ZINC000859129787 589006571 /nfs/dbraw/zinc/00/65/71/589006571.db2.gz CGSLHKYYQFGKSG-UHFFFAOYSA-N 0 3 234.318 3.128 20 0 BGADHN CC[C@@H]1CCCN(Cc2ccnc(F)c2)CC1 ZINC000859144771 589009322 /nfs/dbraw/zinc/00/93/22/589009322.db2.gz ZGTNWMYIOTUQRZ-GFCCVEGCSA-N 0 3 236.334 3.233 20 0 BGADHN CC[C@H]1CCCN(Cc2ccnc(F)c2)CC1 ZINC000859144772 589009343 /nfs/dbraw/zinc/00/93/43/589009343.db2.gz ZGTNWMYIOTUQRZ-LBPRGKRZSA-N 0 3 236.334 3.233 20 0 BGADHN CC(C)[C@H]1CCCCN1Cc1ccnc(F)c1 ZINC000859146674 589009556 /nfs/dbraw/zinc/00/95/56/589009556.db2.gz ZUOXRKJHBOKTEQ-CYBMUJFWSA-N 0 3 236.334 3.231 20 0 BGADHN CC(C)[C@@H]1CCCCN1Cc1ccnc(F)c1 ZINC000859146677 589009670 /nfs/dbraw/zinc/00/96/70/589009670.db2.gz ZUOXRKJHBOKTEQ-ZDUSSCGKSA-N 0 3 236.334 3.231 20 0 BGADHN CC[C@@]1(C)CCCN(Cc2ccnc(F)c2)C1 ZINC000859149546 589010257 /nfs/dbraw/zinc/01/02/57/589010257.db2.gz HKMAJUCTTHZQMG-AWEZNQCLSA-N 0 3 236.334 3.233 20 0 BGADHN CC[C@]1(C)CCCN(Cc2ccnc(F)c2)C1 ZINC000859149547 589010388 /nfs/dbraw/zinc/01/03/88/589010388.db2.gz HKMAJUCTTHZQMG-CQSZACIVSA-N 0 3 236.334 3.233 20 0 BGADHN CC(C)C[C@H]1CCN(Cc2ccnc(F)c2)C1 ZINC000859153770 589009989 /nfs/dbraw/zinc/00/99/89/589009989.db2.gz XYWVTNNONKPGLM-CYBMUJFWSA-N 0 3 236.334 3.089 20 0 BGADHN CC(C)C[C@@H]1CCN(Cc2ccnc(F)c2)C1 ZINC000859153771 589010314 /nfs/dbraw/zinc/01/03/14/589010314.db2.gz XYWVTNNONKPGLM-ZDUSSCGKSA-N 0 3 236.334 3.089 20 0 BGADHN C[C@@H]1CN(Cc2ncccc2Cl)C(C)(C)C1 ZINC000859153983 589010448 /nfs/dbraw/zinc/01/04/48/589010448.db2.gz RXMSBDOTOWRXGU-JTQLQIEISA-N 0 3 238.762 3.355 20 0 BGADHN C[C@H]1CN(Cc2ncccc2Cl)C(C)(C)C1 ZINC000859153984 589010565 /nfs/dbraw/zinc/01/05/65/589010565.db2.gz RXMSBDOTOWRXGU-SNVBAGLBSA-N 0 3 238.762 3.355 20 0 BGADHN CC[C@@H](C)CN(CC)Cc1ccnc(F)c1 ZINC000859154961 589010808 /nfs/dbraw/zinc/01/08/08/589010808.db2.gz JHLRHPMGUIJPGN-LLVKDONJSA-N 0 3 224.323 3.089 20 0 BGADHN CC[C@H](C)CN(CC)Cc1ccnc(F)c1 ZINC000859154962 589010742 /nfs/dbraw/zinc/01/07/42/589010742.db2.gz JHLRHPMGUIJPGN-NSHDSACASA-N 0 3 224.323 3.089 20 0 BGADHN CCC1(CC)CCN(Cc2ccnc(F)c2)C1 ZINC000859162687 589012529 /nfs/dbraw/zinc/01/25/29/589012529.db2.gz LQPZEMADMKRFIT-UHFFFAOYSA-N 0 3 236.334 3.233 20 0 BGADHN C[C@@H]1CCN(Cc2ccnc(F)c2)CC12CCC2 ZINC000859225347 589022353 /nfs/dbraw/zinc/02/23/53/589022353.db2.gz IBLQDGJEDQQMBZ-GFCCVEGCSA-N 0 3 248.345 3.233 20 0 BGADHN C[C@H]1CCN(Cc2ccnc(F)c2)CC12CCC2 ZINC000859225348 589022470 /nfs/dbraw/zinc/02/24/70/589022470.db2.gz IBLQDGJEDQQMBZ-LBPRGKRZSA-N 0 3 248.345 3.233 20 0 BGADHN C[C@@H]1CC[C@]2(CCN(Cc3ccnc(F)c3)C2)C1 ZINC000859244942 589023393 /nfs/dbraw/zinc/02/33/93/589023393.db2.gz WWOWKDZUEIEKAU-DOMZBBRYSA-N 0 3 248.345 3.233 20 0 BGADHN C[C@@H]1CC[C@@]2(CCN(Cc3ccnc(F)c3)C2)C1 ZINC000859244944 589023522 /nfs/dbraw/zinc/02/35/22/589023522.db2.gz WWOWKDZUEIEKAU-IUODEOHRSA-N 0 3 248.345 3.233 20 0 BGADHN C[C@H]1CC[C@@]2(CCN(Cc3ccnc(F)c3)C2)C1 ZINC000859244946 589023436 /nfs/dbraw/zinc/02/34/36/589023436.db2.gz WWOWKDZUEIEKAU-SWLSCSKDSA-N 0 3 248.345 3.233 20 0 BGADHN C[C@H]1CC[C@]2(CCN(Cc3ccnc(F)c3)C2)C1 ZINC000859244947 589023598 /nfs/dbraw/zinc/02/35/98/589023598.db2.gz WWOWKDZUEIEKAU-WFASDCNBSA-N 0 3 248.345 3.233 20 0 BGADHN CC(C)(C)[C@@H]1CCN(Cc2ccnc(F)c2)C1 ZINC000859245703 589024103 /nfs/dbraw/zinc/02/41/03/589024103.db2.gz HBTBEMDWXMGWOR-GFCCVEGCSA-N 0 3 236.334 3.089 20 0 BGADHN CC(C)(C)[C@H]1CCN(Cc2ccnc(F)c2)C1 ZINC000859245804 589023893 /nfs/dbraw/zinc/02/38/93/589023893.db2.gz HBTBEMDWXMGWOR-LBPRGKRZSA-N 0 3 236.334 3.089 20 0 BGADHN C[C@H]1CN(Cc2ccnc(F)c2)CC(C)(C)C1 ZINC000859246902 589023731 /nfs/dbraw/zinc/02/37/31/589023731.db2.gz OBKJSCQVFYRQSM-LLVKDONJSA-N 0 3 236.334 3.089 20 0 BGADHN C[C@@H]1CN(Cc2ccnc(F)c2)CC(C)(C)C1 ZINC000859246906 589024046 /nfs/dbraw/zinc/02/40/46/589024046.db2.gz OBKJSCQVFYRQSM-NSHDSACASA-N 0 3 236.334 3.089 20 0 BGADHN CN(Cc1ccnc(F)c1)C[C@@H]1CC=CCC1 ZINC000859247199 582486783 /nfs/dbraw/zinc/48/67/83/582486783.db2.gz PYTJBLZMUQLXNR-GFCCVEGCSA-N 0 3 234.318 3.009 20 0 BGADHN CN(Cc1ccnc(F)c1)C[C@H]1CC=CCC1 ZINC000859247200 582486914 /nfs/dbraw/zinc/48/69/14/582486914.db2.gz PYTJBLZMUQLXNR-LBPRGKRZSA-N 0 3 234.318 3.009 20 0 BGADHN CCC[C@@H]1CCCCN1Cc1ccnc(F)c1 ZINC000859252241 589024405 /nfs/dbraw/zinc/02/44/05/589024405.db2.gz NRGZSHLIQPSQDY-CYBMUJFWSA-N 0 3 236.334 3.375 20 0 BGADHN CCC[C@H]1CCCCN1Cc1ccnc(F)c1 ZINC000859252242 589024552 /nfs/dbraw/zinc/02/45/52/589024552.db2.gz NRGZSHLIQPSQDY-ZDUSSCGKSA-N 0 3 236.334 3.375 20 0 BGADHN C[C@@H]1CCN(Cc2ccnc(F)c2)CC1(C)C ZINC000859252882 589024499 /nfs/dbraw/zinc/02/44/99/589024499.db2.gz PMDILCZRTCBLGT-LLVKDONJSA-N 0 3 236.334 3.089 20 0 BGADHN C[C@H]1CCN(Cc2ccnc(F)c2)CC1(C)C ZINC000859252884 589024750 /nfs/dbraw/zinc/02/47/50/589024750.db2.gz PMDILCZRTCBLGT-NSHDSACASA-N 0 3 236.334 3.089 20 0 BGADHN CC(C)[C@@H]1CCCN(Cc2ccnc(F)c2)C1 ZINC000859269779 589025931 /nfs/dbraw/zinc/02/59/31/589025931.db2.gz UICXVVCRJPJWBE-CYBMUJFWSA-N 0 3 236.334 3.089 20 0 BGADHN CC(C)[C@H]1CCCN(Cc2ccnc(F)c2)C1 ZINC000859269780 589026556 /nfs/dbraw/zinc/02/65/56/589026556.db2.gz UICXVVCRJPJWBE-ZDUSSCGKSA-N 0 3 236.334 3.089 20 0 BGADHN Fc1cc(CN2CCCC3(CCCC3)C2)ccn1 ZINC000859269794 589026407 /nfs/dbraw/zinc/02/64/07/589026407.db2.gz GOBCJKHKMNHOEQ-UHFFFAOYSA-N 0 3 248.345 3.377 20 0 BGADHN C[C@@H]1C[C@H](C)[C@@H](C)N(Cc2ccnc(F)c2)C1 ZINC000859272897 589026245 /nfs/dbraw/zinc/02/62/45/589026245.db2.gz CSVMTCPCIOHKHR-GRYCIOLGSA-N 0 3 236.334 3.087 20 0 BGADHN C[C@@H]1C[C@@H](C)[C@@H](C)N(Cc2ccnc(F)c2)C1 ZINC000859272899 589026252 /nfs/dbraw/zinc/02/62/52/589026252.db2.gz CSVMTCPCIOHKHR-IJLUTSLNSA-N 0 3 236.334 3.087 20 0 BGADHN C[C@@H]1C[C@@H](C)[C@H](C)N(Cc2ccnc(F)c2)C1 ZINC000859272900 589026434 /nfs/dbraw/zinc/02/64/34/589026434.db2.gz CSVMTCPCIOHKHR-UTUOFQBUSA-N 0 3 236.334 3.087 20 0 BGADHN C[C@@H]1C[C@H](C)[C@H](C)N(Cc2ccnc(F)c2)C1 ZINC000859272902 589026597 /nfs/dbraw/zinc/02/65/97/589026597.db2.gz CSVMTCPCIOHKHR-WOPDTQHZSA-N 0 3 236.334 3.087 20 0 BGADHN CN(Cc1ccnc(F)c1)[C@@H]1CCC(C)(C)C1 ZINC000859290892 589028393 /nfs/dbraw/zinc/02/83/93/589028393.db2.gz UQROSNLNNOBABZ-GFCCVEGCSA-N 0 3 236.334 3.231 20 0 BGADHN CN(Cc1ccnc(F)c1)[C@H]1CCC(C)(C)C1 ZINC000859290893 589028702 /nfs/dbraw/zinc/02/87/02/589028702.db2.gz UQROSNLNNOBABZ-LBPRGKRZSA-N 0 3 236.334 3.231 20 0 BGADHN CCC(CC)N(CC)Cc1cc(Cl)n(C)n1 ZINC000859304383 589028965 /nfs/dbraw/zinc/02/89/65/589028965.db2.gz LCBNCASUMRNVTE-UHFFFAOYSA-N 0 3 243.782 3.084 20 0 BGADHN CC1(C2CC2)CCN(Cc2ccnc(F)c2)CC1 ZINC000859309660 589029421 /nfs/dbraw/zinc/02/94/21/589029421.db2.gz BVWLZBREHAVYPM-UHFFFAOYSA-N 0 3 248.345 3.233 20 0 BGADHN CCCC[C@@H](C)N(C)Cc1ccnc(F)c1 ZINC000859309779 589030070 /nfs/dbraw/zinc/03/00/70/589030070.db2.gz WYWKDUZNKXMUGB-LLVKDONJSA-N 0 3 224.323 3.231 20 0 BGADHN CCCC[C@H](C)N(C)Cc1ccnc(F)c1 ZINC000859309780 589030091 /nfs/dbraw/zinc/03/00/91/589030091.db2.gz WYWKDUZNKXMUGB-NSHDSACASA-N 0 3 224.323 3.231 20 0 BGADHN CCN(Cc1ccnc(F)c1)CC(C)(C)C ZINC000859312722 589030655 /nfs/dbraw/zinc/03/06/55/589030655.db2.gz YJMVIFSURQZWBB-UHFFFAOYSA-N 0 3 224.323 3.089 20 0 BGADHN Fc1cc(CN(C2CCC2)C2CCC2)ccn1 ZINC000859314477 589030405 /nfs/dbraw/zinc/03/04/05/589030405.db2.gz MQZULBWMUHXTTR-UHFFFAOYSA-N 0 3 234.318 3.128 20 0 BGADHN CC1(C)CC[C@H]1NCc1cc(O)ccc1Cl ZINC000859325066 589031963 /nfs/dbraw/zinc/03/19/63/589031963.db2.gz ZWZFGUDACKXKFO-GFCCVEGCSA-N 0 3 239.746 3.324 20 0 BGADHN CC1(C)CC[C@@H]1NCc1cc(O)ccc1Cl ZINC000859325067 589032034 /nfs/dbraw/zinc/03/20/34/589032034.db2.gz ZWZFGUDACKXKFO-LBPRGKRZSA-N 0 3 239.746 3.324 20 0 BGADHN Fc1cc(CN2CCCCCCCC2)ccn1 ZINC000859325898 589031499 /nfs/dbraw/zinc/03/14/99/589031499.db2.gz ZENPLDZFFGGKMZ-UHFFFAOYSA-N 0 3 236.334 3.377 20 0 BGADHN CC[C@@H]1CC[C@H](C)N(Cc2ccnc(F)c2)C1 ZINC000859327541 645683162 /nfs/dbraw/zinc/68/31/62/645683162.db2.gz UVBCQXATKVBZQU-NWDGAFQWSA-N 0 3 236.334 3.231 20 0 BGADHN CC[C@@H]1CC[C@@H](C)N(Cc2ccnc(F)c2)C1 ZINC000859352599 589033195 /nfs/dbraw/zinc/03/31/95/589033195.db2.gz UVBCQXATKVBZQU-VXGBXAGGSA-N 0 3 236.334 3.231 20 0 BGADHN CC[C@@H]1CCC[C@H](C)N1Cc1ccnc(F)c1 ZINC000859359283 589033852 /nfs/dbraw/zinc/03/38/52/589033852.db2.gz KQNXYIFGEBEHIQ-WCQYABFASA-N 0 3 236.334 3.374 20 0 BGADHN Fc1cc(CN2CCC[C@H](C3CCC3)C2)ccn1 ZINC000859359717 589033737 /nfs/dbraw/zinc/03/37/37/589033737.db2.gz YDZRHWUVOLPBNF-AWEZNQCLSA-N 0 3 248.345 3.233 20 0 BGADHN Fc1cc(CN2CCC[C@@H](C3CCC3)C2)ccn1 ZINC000859359718 589033562 /nfs/dbraw/zinc/03/35/62/589033562.db2.gz YDZRHWUVOLPBNF-CQSZACIVSA-N 0 3 248.345 3.233 20 0 BGADHN Fc1cc(CN2CCC[C@@H]3CCCC[C@@H]32)ccn1 ZINC000859362275 589034193 /nfs/dbraw/zinc/03/41/93/589034193.db2.gz UPJPQFRZOOIDTI-KBPBESRZSA-N 0 3 248.345 3.375 20 0 BGADHN Cc1cnc(CN2CC(C)(C)CCC2(C)C)cn1 ZINC000859472918 589039454 /nfs/dbraw/zinc/03/94/54/589039454.db2.gz WJDIFTIZCHMMIS-UHFFFAOYSA-N 0 3 247.386 3.186 20 0 BGADHN Cc1oncc1CN1CC(C)(C)CCC1(C)C ZINC000859473897 589039129 /nfs/dbraw/zinc/03/91/29/589039129.db2.gz JAJXMAHAYUECDG-UHFFFAOYSA-N 0 3 236.359 3.384 20 0 BGADHN CC(C)CC(=O)CCN1CCCC(F)(F)CC1 ZINC000859539925 589044036 /nfs/dbraw/zinc/04/40/36/589044036.db2.gz DEFYWRXFAZAHHC-UHFFFAOYSA-N 0 3 247.329 3.113 20 0 BGADHN C/C=C/CN[C@@H](c1ccccn1)C1CCC1 ZINC000859561516 589045446 /nfs/dbraw/zinc/04/54/46/589045446.db2.gz FUDKHUWOYVALAV-BAABZTOOSA-N 0 3 216.328 3.089 20 0 BGADHN C/C=C/CN[C@H](c1ccccn1)C1CCC1 ZINC000859561517 589045575 /nfs/dbraw/zinc/04/55/75/589045575.db2.gz FUDKHUWOYVALAV-HSWBROFVSA-N 0 3 216.328 3.089 20 0 BGADHN C/C=C\CN[C@@H](c1ccccn1)C1CCC1 ZINC000859561518 589045392 /nfs/dbraw/zinc/04/53/92/589045392.db2.gz FUDKHUWOYVALAV-PYLYLYNFSA-N 0 3 216.328 3.089 20 0 BGADHN C/C=C\CN[C@H](c1ccccn1)C1CCC1 ZINC000859561519 589045613 /nfs/dbraw/zinc/04/56/13/589045613.db2.gz FUDKHUWOYVALAV-SFAKSCPVSA-N 0 3 216.328 3.089 20 0 BGADHN C[C@@H](F)CCN[C@@H](c1ccccn1)C1CCC1 ZINC000859568265 589045909 /nfs/dbraw/zinc/04/59/09/589045909.db2.gz SOKXPFOADNYRSQ-BXUZGUMPSA-N 0 3 236.334 3.261 20 0 BGADHN C[C@H](F)CCN[C@H](c1ccccn1)C1CCC1 ZINC000859568266 589045819 /nfs/dbraw/zinc/04/58/19/589045819.db2.gz SOKXPFOADNYRSQ-FZMZJTMJSA-N 0 3 236.334 3.261 20 0 BGADHN C[C@@H](F)CCN[C@H](c1ccccn1)C1CCC1 ZINC000859568267 589046054 /nfs/dbraw/zinc/04/60/54/589046054.db2.gz SOKXPFOADNYRSQ-RISCZKNCSA-N 0 3 236.334 3.261 20 0 BGADHN C[C@H](F)CCN[C@@H](c1ccccn1)C1CCC1 ZINC000859568268 589045984 /nfs/dbraw/zinc/04/59/84/589045984.db2.gz SOKXPFOADNYRSQ-SMDDNHRTSA-N 0 3 236.334 3.261 20 0 BGADHN Cc1ccc(OCCN(C2CC2)C2CC2)cc1 ZINC000859620995 589049244 /nfs/dbraw/zinc/04/92/44/589049244.db2.gz GKKJLJXSMBLRJB-UHFFFAOYSA-N 0 3 231.339 3.001 20 0 BGADHN C(CN(C1CC1)C1CC1)OC1CCCCCC1 ZINC000859623107 589049756 /nfs/dbraw/zinc/04/97/56/589049756.db2.gz KKDHMSIXRDMBAG-UHFFFAOYSA-N 0 3 237.387 3.353 20 0 BGADHN Cc1cc(CN(C2CC2)C2CC2)cc(Cl)n1 ZINC000859626090 589050194 /nfs/dbraw/zinc/05/01/94/589050194.db2.gz HMQPTEVIONLGQY-UHFFFAOYSA-N 0 3 236.746 3.170 20 0 BGADHN FCc1ccc(CN(C2CC2)C2CC2)cc1 ZINC000859626948 589050463 /nfs/dbraw/zinc/05/04/63/589050463.db2.gz IKLHIRSFNDXZEB-UHFFFAOYSA-N 0 3 219.303 3.283 20 0 BGADHN C[C@@]1(CN(C2CC2)C2CC2)CC1(Cl)Cl ZINC000859627373 589050126 /nfs/dbraw/zinc/05/01/26/589050126.db2.gz QSQOCCDOACQPJR-JTQLQIEISA-N 0 3 234.170 3.197 20 0 BGADHN C[C@]1(CN(C2CC2)C2CC2)CC1(Cl)Cl ZINC000859627374 589050285 /nfs/dbraw/zinc/05/02/85/589050285.db2.gz QSQOCCDOACQPJR-SNVBAGLBSA-N 0 3 234.170 3.197 20 0 BGADHN CC1(C)[C@@H](c2ccc(F)cc2)CCN1CCF ZINC000859805424 589062204 /nfs/dbraw/zinc/06/22/04/589062204.db2.gz QKALVHCJDCFZTC-CYBMUJFWSA-N 0 3 239.309 3.363 20 0 BGADHN CC1(C)[C@H](c2ccc(F)cc2)CCN1CCF ZINC000859805425 589062093 /nfs/dbraw/zinc/06/20/93/589062093.db2.gz QKALVHCJDCFZTC-ZDUSSCGKSA-N 0 3 239.309 3.363 20 0 BGADHN C[C@@H]1CC(F)(F)CCN1CC1CC(F)(F)C1 ZINC000859837934 589065151 /nfs/dbraw/zinc/06/51/51/589065151.db2.gz LXCURIJGRAYXQJ-MRVPVSSYSA-N 0 3 239.256 3.151 20 0 BGADHN C[C@H]1CC(F)(F)CCN1CC1CC(F)(F)C1 ZINC000859837935 589065369 /nfs/dbraw/zinc/06/53/69/589065369.db2.gz LXCURIJGRAYXQJ-QMMMGPOBSA-N 0 3 239.256 3.151 20 0 BGADHN C[C@H](CN(C)CCF)C1CCCCC1 ZINC000859866742 589067828 /nfs/dbraw/zinc/06/78/28/589067828.db2.gz FBQKHPQNVYGHNH-LLVKDONJSA-N 0 3 201.329 3.104 20 0 BGADHN C[C@@H](CN(C)CCF)C1CCCCC1 ZINC000859866743 589063928 /nfs/dbraw/zinc/06/39/28/589063928.db2.gz FBQKHPQNVYGHNH-NSHDSACASA-N 0 3 201.329 3.104 20 0 BGADHN Cl/C=C\CN1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859929885 589071559 /nfs/dbraw/zinc/07/15/59/589071559.db2.gz MXIYRCCLTNVMST-IHIAYXSQSA-N 0 3 247.769 3.474 20 0 BGADHN Cl/C=C/CN1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859929886 589071524 /nfs/dbraw/zinc/07/15/24/589071524.db2.gz MXIYRCCLTNVMST-WVRFHGKMSA-N 0 3 247.769 3.474 20 0 BGADHN Cc1ccc(CCN[C@H](C)c2ccns2)cc1 ZINC000860057341 589077654 /nfs/dbraw/zinc/07/76/54/589077654.db2.gz QAWVTMNMDAGLOH-GFCCVEGCSA-N 0 3 246.379 3.345 20 0 BGADHN Cc1ccc(CCN[C@@H](C)c2ccns2)cc1 ZINC000860057342 589077908 /nfs/dbraw/zinc/07/79/08/589077908.db2.gz QAWVTMNMDAGLOH-LBPRGKRZSA-N 0 3 246.379 3.345 20 0 BGADHN CC/C=C\CCN[C@@H](C)c1ccns1 ZINC000860058116 589078131 /nfs/dbraw/zinc/07/81/31/589078131.db2.gz HPKWYGGLVVJZCU-LWTINBJPSA-N 0 3 210.346 3.150 20 0 BGADHN CC/C=C/CCN[C@H](C)c1ccns1 ZINC000860058117 589077933 /nfs/dbraw/zinc/07/79/33/589077933.db2.gz HPKWYGGLVVJZCU-ORAHPGNNSA-N 0 3 210.346 3.150 20 0 BGADHN CC/C=C\CCN[C@H](C)c1ccns1 ZINC000860058118 589077696 /nfs/dbraw/zinc/07/76/96/589077696.db2.gz HPKWYGGLVVJZCU-UMCURTJPSA-N 0 3 210.346 3.150 20 0 BGADHN CC/C=C/CCN[C@@H](C)c1ccns1 ZINC000860058119 589077979 /nfs/dbraw/zinc/07/79/79/589077979.db2.gz HPKWYGGLVVJZCU-YEZKRMTDSA-N 0 3 210.346 3.150 20 0 BGADHN CC(C)CSCCN[C@@H](C)c1ccns1 ZINC000860059254 582500757 /nfs/dbraw/zinc/50/07/57/582500757.db2.gz XNFGHIDIUVQTJF-JTQLQIEISA-N 0 3 244.429 3.183 20 0 BGADHN CC(C)CSCCN[C@H](C)c1ccns1 ZINC000860059255 582500850 /nfs/dbraw/zinc/50/08/50/582500850.db2.gz XNFGHIDIUVQTJF-SNVBAGLBSA-N 0 3 244.429 3.183 20 0 BGADHN C[C@H](NCC1=CCCCC1)c1ccns1 ZINC000860062024 589078486 /nfs/dbraw/zinc/07/84/86/589078486.db2.gz RBLMTJCDTOQOLU-JTQLQIEISA-N 0 3 222.357 3.294 20 0 BGADHN C[C@@H](NCC1=CCCCC1)c1ccns1 ZINC000860062025 589078411 /nfs/dbraw/zinc/07/84/11/589078411.db2.gz RBLMTJCDTOQOLU-SNVBAGLBSA-N 0 3 222.357 3.294 20 0 BGADHN C/C=C/C[C@H]1CCCN(Cc2ccc(F)cn2)C1 ZINC000860183335 589087824 /nfs/dbraw/zinc/08/78/24/589087824.db2.gz IEFVDWZTIOVRNA-IBUXWKBASA-N 0 3 248.345 3.399 20 0 BGADHN C/C=C\C[C@@H]1CCCN(Cc2ccc(F)cn2)C1 ZINC000860183336 589088189 /nfs/dbraw/zinc/08/81/89/589088189.db2.gz IEFVDWZTIOVRNA-XQJDBVBESA-N 0 3 248.345 3.399 20 0 BGADHN C/C=C/C[C@@H]1CCCN(Cc2ccc(F)cn2)C1 ZINC000860183337 589087861 /nfs/dbraw/zinc/08/78/61/589087861.db2.gz IEFVDWZTIOVRNA-YWVDXFKGSA-N 0 3 248.345 3.399 20 0 BGADHN C/C=C\C[C@H]1CCCN(Cc2ccc(F)cn2)C1 ZINC000860183338 589087874 /nfs/dbraw/zinc/08/78/74/589087874.db2.gz IEFVDWZTIOVRNA-ZRMMWKCHSA-N 0 3 248.345 3.399 20 0 BGADHN C/C=C\C[C@@H]1CCCN(Cc2cnoc2C)C1 ZINC000860183775 589087998 /nfs/dbraw/zinc/08/79/98/589087998.db2.gz PVUMHSHBCDFYCX-DHCBQETCSA-N 0 3 234.343 3.161 20 0 BGADHN C/C=C/C[C@@H]1CCCN(Cc2cnoc2C)C1 ZINC000860183776 589087676 /nfs/dbraw/zinc/08/76/76/589087676.db2.gz PVUMHSHBCDFYCX-ITDFMYJTSA-N 0 3 234.343 3.161 20 0 BGADHN C/C=C/C[C@H]1CCCN(Cc2cnoc2C)C1 ZINC000860183777 589088078 /nfs/dbraw/zinc/08/80/78/589088078.db2.gz PVUMHSHBCDFYCX-OOPCZODUSA-N 0 3 234.343 3.161 20 0 BGADHN C/C=C\C[C@H]1CCCN(Cc2cnoc2C)C1 ZINC000860183778 589087512 /nfs/dbraw/zinc/08/75/12/589087512.db2.gz PVUMHSHBCDFYCX-SCOBNMCVSA-N 0 3 234.343 3.161 20 0 BGADHN C/C=C/C[C@H]1CCCN(Cc2ccnc(F)c2)C1 ZINC000860184850 589087840 /nfs/dbraw/zinc/08/78/40/589087840.db2.gz KOPOSUCDJBJWQZ-IBUXWKBASA-N 0 3 248.345 3.399 20 0 BGADHN C/C=C\C[C@@H]1CCCN(Cc2ccnc(F)c2)C1 ZINC000860184851 589087553 /nfs/dbraw/zinc/08/75/53/589087553.db2.gz KOPOSUCDJBJWQZ-XQJDBVBESA-N 0 3 248.345 3.399 20 0 BGADHN C/C=C/C[C@@H]1CCCN(Cc2ccnc(F)c2)C1 ZINC000860184852 589087600 /nfs/dbraw/zinc/08/76/00/589087600.db2.gz KOPOSUCDJBJWQZ-YWVDXFKGSA-N 0 3 248.345 3.399 20 0 BGADHN C/C=C\C[C@H]1CCCN(Cc2ccnc(F)c2)C1 ZINC000860184853 589088057 /nfs/dbraw/zinc/08/80/57/589088057.db2.gz KOPOSUCDJBJWQZ-ZRMMWKCHSA-N 0 3 248.345 3.399 20 0 BGADHN C/C=C/C[C@H]1CCCN(Cc2cccc(F)n2)C1 ZINC000860185716 589087618 /nfs/dbraw/zinc/08/76/18/589087618.db2.gz SLKWLGNQNPPAIZ-IBUXWKBASA-N 0 3 248.345 3.399 20 0 BGADHN C/C=C\C[C@@H]1CCCN(Cc2cccc(F)n2)C1 ZINC000860185718 589088008 /nfs/dbraw/zinc/08/80/08/589088008.db2.gz SLKWLGNQNPPAIZ-XQJDBVBESA-N 0 3 248.345 3.399 20 0 BGADHN C/C=C/C[C@@H]1CCCN(Cc2cccc(F)n2)C1 ZINC000860185719 589087643 /nfs/dbraw/zinc/08/76/43/589087643.db2.gz SLKWLGNQNPPAIZ-YWVDXFKGSA-N 0 3 248.345 3.399 20 0 BGADHN C/C=C\C[C@H]1CCCN(Cc2cccc(F)n2)C1 ZINC000860185720 589088072 /nfs/dbraw/zinc/08/80/72/589088072.db2.gz SLKWLGNQNPPAIZ-ZRMMWKCHSA-N 0 3 248.345 3.399 20 0 BGADHN CCCN(CCC)Cc1ccnc(F)c1C ZINC000862211114 589194627 /nfs/dbraw/zinc/19/46/27/589194627.db2.gz DKMJWLOJFGSROU-UHFFFAOYSA-N 0 3 224.323 3.151 20 0 BGADHN C[C@@H]1CCC[C@@H](C)N1Cc1cnc(C2CC2)o1 ZINC000862211250 589194139 /nfs/dbraw/zinc/19/41/39/589194139.db2.gz GDTZFDFBWPMDJP-GHMZBOCLSA-N 0 3 234.343 3.315 20 0 BGADHN C[C@@H]1CCC[C@H](C)N1Cc1cnc(C2CC2)o1 ZINC000862211253 589194214 /nfs/dbraw/zinc/19/42/14/589194214.db2.gz GDTZFDFBWPMDJP-PHIMTYICSA-N 0 3 234.343 3.315 20 0 BGADHN C[C@H]1CCC[C@H](C)N1Cc1cnc(C2CC2)o1 ZINC000862211255 589194153 /nfs/dbraw/zinc/19/41/53/589194153.db2.gz GDTZFDFBWPMDJP-QWRGUYRKSA-N 0 3 234.343 3.315 20 0 BGADHN CCCCN(CC)Cc1ccnc(F)c1C ZINC000862211566 589194450 /nfs/dbraw/zinc/19/44/50/589194450.db2.gz JZIKXRJUIPKGRJ-UHFFFAOYSA-N 0 3 224.323 3.151 20 0 BGADHN c1nc(C2CC2)oc1CN1CCCCCCC1 ZINC000862211835 589194286 /nfs/dbraw/zinc/19/42/86/589194286.db2.gz LYJVGIOPMUMKMO-UHFFFAOYSA-N 0 3 234.343 3.318 20 0 BGADHN CC[C@@H]1CCCCN1Cc1ccnc(F)c1C ZINC000862211847 589194323 /nfs/dbraw/zinc/19/43/23/589194323.db2.gz MNCYABRGGMFABM-CYBMUJFWSA-N 0 3 236.334 3.294 20 0 BGADHN CC[C@H]1CCCCN1Cc1ccnc(F)c1C ZINC000862211848 589194790 /nfs/dbraw/zinc/19/47/90/589194790.db2.gz MNCYABRGGMFABM-ZDUSSCGKSA-N 0 3 236.334 3.294 20 0 BGADHN Cc1c(CN2CCCCCCC2)ccnc1F ZINC000862212057 589194568 /nfs/dbraw/zinc/19/45/68/589194568.db2.gz OSRFIOXZHAVUKG-UHFFFAOYSA-N 0 3 236.334 3.295 20 0 BGADHN Cc1c(CN(C)C2CCCCC2)ccnc1F ZINC000862212151 589194755 /nfs/dbraw/zinc/19/47/55/589194755.db2.gz QRTRGLCKPWSOKZ-UHFFFAOYSA-N 0 3 236.334 3.294 20 0 BGADHN Cc1c(CN2C[C@H](C)C[C@@H](C)C2)ccnc1F ZINC000862212497 589194729 /nfs/dbraw/zinc/19/47/29/589194729.db2.gz SUKMIRNSRCJSEE-GHMZBOCLSA-N 0 3 236.334 3.007 20 0 BGADHN Cc1c(CN2C[C@H](C)C[C@H](C)C2)ccnc1F ZINC000862212504 589194482 /nfs/dbraw/zinc/19/44/82/589194482.db2.gz SUKMIRNSRCJSEE-PHIMTYICSA-N 0 3 236.334 3.007 20 0 BGADHN Cc1c(CN2C[C@@H](C)C[C@H](C)C2)ccnc1F ZINC000862212507 589194308 /nfs/dbraw/zinc/19/43/08/589194308.db2.gz SUKMIRNSRCJSEE-QWRGUYRKSA-N 0 3 236.334 3.007 20 0 BGADHN Cc1c(CN(C2CC2)C2CCCC2)ccnc1F ZINC000862218240 589195148 /nfs/dbraw/zinc/19/51/48/589195148.db2.gz HEIFTYKKGVYMHY-UHFFFAOYSA-N 0 3 248.345 3.436 20 0 BGADHN Cc1c(F)nccc1CN(C)[C@H](C)C(C)C ZINC000862219485 589195242 /nfs/dbraw/zinc/19/52/42/589195242.db2.gz HIISWRWWULQQAN-LLVKDONJSA-N 0 3 224.323 3.005 20 0 BGADHN Cc1c(F)nccc1CN(C)[C@@H](C)C(C)C ZINC000862219486 589195330 /nfs/dbraw/zinc/19/53/30/589195330.db2.gz HIISWRWWULQQAN-NSHDSACASA-N 0 3 224.323 3.005 20 0 BGADHN CCC[C@H](C)N(C)Cc1ccnc(F)c1C ZINC000862220720 589195260 /nfs/dbraw/zinc/19/52/60/589195260.db2.gz XSSVGUNIOIWFJZ-JTQLQIEISA-N 0 3 224.323 3.150 20 0 BGADHN CCC[C@@H](C)N(C)Cc1ccnc(F)c1C ZINC000862220723 589195043 /nfs/dbraw/zinc/19/50/43/589195043.db2.gz XSSVGUNIOIWFJZ-SNVBAGLBSA-N 0 3 224.323 3.150 20 0 BGADHN Cc1c(CN2CCC[C@@H]2C(C)C)ccnc1F ZINC000862221204 589195238 /nfs/dbraw/zinc/19/52/38/589195238.db2.gz WWUCDKVELOPUFV-CYBMUJFWSA-N 0 3 236.334 3.150 20 0 BGADHN Cc1c(CN2CCC[C@H]2C(C)C)ccnc1F ZINC000862221206 589195195 /nfs/dbraw/zinc/19/51/95/589195195.db2.gz WWUCDKVELOPUFV-ZDUSSCGKSA-N 0 3 236.334 3.150 20 0 BGADHN CCN(Cc1ccnc(F)c1C)CC(C)C ZINC000862221279 589195169 /nfs/dbraw/zinc/19/51/69/589195169.db2.gz XXBMDFJMILCIRJ-UHFFFAOYSA-N 0 3 224.323 3.007 20 0 BGADHN Cc1c(F)nccc1CN(C)CCC(C)C ZINC000862221539 589194854 /nfs/dbraw/zinc/19/48/54/589194854.db2.gz YFHPMILTARJFAS-UHFFFAOYSA-N 0 3 224.323 3.007 20 0 BGADHN CCCCN(Cc1ccnc(F)c1C)C1CC1 ZINC000862221563 589195210 /nfs/dbraw/zinc/19/52/10/589195210.db2.gz YZVANOJCGVFUQK-UHFFFAOYSA-N 0 3 236.334 3.294 20 0 BGADHN Cc1c(F)nccc1CN(C)[C@H](C)C(C)(C)C ZINC000862222512 589195337 /nfs/dbraw/zinc/19/53/37/589195337.db2.gz CDESLQJTXCJMBR-LLVKDONJSA-N 0 3 238.350 3.396 20 0 BGADHN Cc1c(F)nccc1CN(C)[C@@H](C)C(C)(C)C ZINC000862222513 589195214 /nfs/dbraw/zinc/19/52/14/589195214.db2.gz CDESLQJTXCJMBR-NSHDSACASA-N 0 3 238.350 3.396 20 0 BGADHN Cc1ncc(CN(C(C)C)C2CCCC2)o1 ZINC000862223275 589195712 /nfs/dbraw/zinc/19/57/12/589195712.db2.gz ACRMUWCNAXHLOS-UHFFFAOYSA-N 0 3 222.332 3.136 20 0 BGADHN Cc1c(CN([C@H](C)C2CC2)C2CC2)ccnc1F ZINC000862223868 589195846 /nfs/dbraw/zinc/19/58/46/589195846.db2.gz SKTDGUCHJQRKHF-LLVKDONJSA-N 0 3 248.345 3.292 20 0 BGADHN Cc1c(CN([C@@H](C)C2CC2)C2CC2)ccnc1F ZINC000862223870 589195653 /nfs/dbraw/zinc/19/56/53/589195653.db2.gz SKTDGUCHJQRKHF-NSHDSACASA-N 0 3 248.345 3.292 20 0 BGADHN Cc1c(CN(CC(C)C)C2CC2)ccnc1F ZINC000862224108 589195728 /nfs/dbraw/zinc/19/57/28/589195728.db2.gz UKNLUNDBOWIQBD-UHFFFAOYSA-N 0 3 236.334 3.150 20 0 BGADHN CC[C@@H]1CCCN(Cc2ccnc(F)c2C)C1 ZINC000862226554 589195627 /nfs/dbraw/zinc/19/56/27/589195627.db2.gz AEDYIKLZLZCOPB-GFCCVEGCSA-N 0 3 236.334 3.151 20 0 BGADHN CC[C@H]1CCCN(Cc2ccnc(F)c2C)C1 ZINC000862226555 589195747 /nfs/dbraw/zinc/19/57/47/589195747.db2.gz AEDYIKLZLZCOPB-LBPRGKRZSA-N 0 3 236.334 3.151 20 0 BGADHN CC[C@H](C)CN(C)Cc1ccnc(F)c1C ZINC000862227363 589195496 /nfs/dbraw/zinc/19/54/96/589195496.db2.gz ZPIDQXFBHKVZKK-JTQLQIEISA-N 0 3 224.323 3.007 20 0 BGADHN CC[C@@H](C)CN(C)Cc1ccnc(F)c1C ZINC000862227365 589195485 /nfs/dbraw/zinc/19/54/85/589195485.db2.gz ZPIDQXFBHKVZKK-SNVBAGLBSA-N 0 3 224.323 3.007 20 0 BGADHN Cc1c(CN2CCCC(C)(C)C2)ccnc1F ZINC000862228179 589195926 /nfs/dbraw/zinc/19/59/26/589195926.db2.gz MQIQBBYDJPRMJR-UHFFFAOYSA-N 0 3 236.334 3.151 20 0 BGADHN CCC1CCN(Cc2ccnc(F)c2C)CC1 ZINC000862229447 589195522 /nfs/dbraw/zinc/19/55/22/589195522.db2.gz FSYWPSAPSCRVCM-UHFFFAOYSA-N 0 3 236.334 3.151 20 0 BGADHN Cc1c(F)nccc1CN(C)CC(C)(C)C ZINC000862229697 589195784 /nfs/dbraw/zinc/19/57/84/589195784.db2.gz JHGIBNBBVRBSQB-UHFFFAOYSA-N 0 3 224.323 3.007 20 0 BGADHN Cc1c(CN2CCC[C@@H]3CCC[C@H]32)ccnc1F ZINC000862233712 589196329 /nfs/dbraw/zinc/19/63/29/589196329.db2.gz QVQZJMHSXZDIJT-GXTWGEPZSA-N 0 3 248.345 3.294 20 0 BGADHN Cc1c(CN2CCC[C@@H]3CCC[C@@H]32)ccnc1F ZINC000862233713 589196342 /nfs/dbraw/zinc/19/63/42/589196342.db2.gz QVQZJMHSXZDIJT-JSGCOSHPSA-N 0 3 248.345 3.294 20 0 BGADHN Cc1c(CN2CCC[C@H]3CCC[C@@H]32)ccnc1F ZINC000862233714 589196469 /nfs/dbraw/zinc/19/64/69/589196469.db2.gz QVQZJMHSXZDIJT-OCCSQVGLSA-N 0 3 248.345 3.294 20 0 BGADHN Cc1c(CN2CCC[C@H]3CCC[C@H]32)ccnc1F ZINC000862233715 589196356 /nfs/dbraw/zinc/19/63/56/589196356.db2.gz QVQZJMHSXZDIJT-TZMCWYRMSA-N 0 3 248.345 3.294 20 0 BGADHN Cc1c(CN2CCC[C@@H](C)CC2)ccnc1F ZINC000862235731 589196124 /nfs/dbraw/zinc/19/61/24/589196124.db2.gz XATHMTLUOSNJLQ-LLVKDONJSA-N 0 3 236.334 3.151 20 0 BGADHN Cc1c(CN(C)CC2CCCC2)ccnc1F ZINC000862236291 589196086 /nfs/dbraw/zinc/19/60/86/589196086.db2.gz LZPRHGXPGFLNDF-UHFFFAOYSA-N 0 3 236.334 3.151 20 0 BGADHN Cc1c(CN2CCC[C@H](C)[C@H]2C)ccnc1F ZINC000862237936 589196379 /nfs/dbraw/zinc/19/63/79/589196379.db2.gz YYVVBWPPAKGIMU-CMPLNLGQSA-N 0 3 236.334 3.150 20 0 BGADHN Cc1c(CN2CCC[C@H](C)[C@@H]2C)ccnc1F ZINC000862237938 589196441 /nfs/dbraw/zinc/19/64/41/589196441.db2.gz YYVVBWPPAKGIMU-JQWIXIFHSA-N 0 3 236.334 3.150 20 0 BGADHN Cc1c(CN2CCC[C@@H](C)[C@@H]2C)ccnc1F ZINC000862237940 589196220 /nfs/dbraw/zinc/19/62/20/589196220.db2.gz YYVVBWPPAKGIMU-PWSUYJOCSA-N 0 3 236.334 3.150 20 0 BGADHN Cc1c(CN2CCC[C@@H](C)[C@H]2C)ccnc1F ZINC000862237942 589196100 /nfs/dbraw/zinc/19/61/00/589196100.db2.gz YYVVBWPPAKGIMU-ZYHUDNBSSA-N 0 3 236.334 3.150 20 0 BGADHN Cc1c(CN2CCC(C)(C)CC2)ccnc1F ZINC000862238633 589195217 /nfs/dbraw/zinc/19/52/17/589195217.db2.gz CXONNVJCOJECAJ-UHFFFAOYSA-N 0 3 236.334 3.151 20 0 BGADHN Cc1ncc(CN2CCC3(CCCC3)CC2)o1 ZINC000862238860 589196022 /nfs/dbraw/zinc/19/60/22/589196022.db2.gz MRYCBYCLZOPACK-UHFFFAOYSA-N 0 3 234.343 3.139 20 0 BGADHN CCC(C)(C)N(C)Cc1ccnc(F)c1C ZINC000862241929 589196160 /nfs/dbraw/zinc/19/61/60/589196160.db2.gz OPSZRWDPEOKCJG-UHFFFAOYSA-N 0 3 224.323 3.150 20 0 BGADHN c1nc(C2CC2)oc1CN1CCC2(CCCC2)C1 ZINC000862242547 589196242 /nfs/dbraw/zinc/19/62/42/589196242.db2.gz JHVYZTCIHZIIGM-UHFFFAOYSA-N 0 3 246.354 3.318 20 0 BGADHN Cc1c(CN2CCC3(CCCC3)C2)ccnc1F ZINC000862242911 589196873 /nfs/dbraw/zinc/19/68/73/589196873.db2.gz UCDSAWPSKADBNU-UHFFFAOYSA-N 0 3 248.345 3.295 20 0 BGADHN Cc1c(CN2CCCCC[C@H]2C)ccnc1F ZINC000862243568 589197009 /nfs/dbraw/zinc/19/70/09/589197009.db2.gz NDBTVOWLNNOCKM-LLVKDONJSA-N 0 3 236.334 3.294 20 0 BGADHN Cc1c(CN2CCCCC[C@@H]2C)ccnc1F ZINC000862243569 589197074 /nfs/dbraw/zinc/19/70/74/589197074.db2.gz NDBTVOWLNNOCKM-NSHDSACASA-N 0 3 236.334 3.294 20 0 BGADHN CC1(C)CCN1Cc1ccc2[nH]ccc2c1 ZINC000862246000 589196818 /nfs/dbraw/zinc/19/68/18/589196818.db2.gz FJQQEMZNVXEIAT-UHFFFAOYSA-N 0 3 214.312 3.152 20 0 BGADHN CC1(C)CCN1Cc1ccc2cc[nH]c2c1 ZINC000862246325 589196708 /nfs/dbraw/zinc/19/67/08/589196708.db2.gz MOCCAWLPXUMEPP-UHFFFAOYSA-N 0 3 214.312 3.152 20 0 BGADHN Cc1c(CN2CC[C@@H](C)[C@H](C)C2)ccnc1F ZINC000862246398 589197132 /nfs/dbraw/zinc/19/71/32/589197132.db2.gz GQKYLGGQDUTPOH-GHMZBOCLSA-N 0 3 236.334 3.007 20 0 BGADHN Cc1c(CN2CC[C@@H](C)[C@@H](C)C2)ccnc1F ZINC000862246400 589196845 /nfs/dbraw/zinc/19/68/45/589196845.db2.gz GQKYLGGQDUTPOH-MNOVXSKESA-N 0 3 236.334 3.007 20 0 BGADHN Cc1c(CN2CC[C@H](C)[C@@H](C)C2)ccnc1F ZINC000862246402 589196738 /nfs/dbraw/zinc/19/67/38/589196738.db2.gz GQKYLGGQDUTPOH-QWRGUYRKSA-N 0 3 236.334 3.007 20 0 BGADHN Cc1c(CN2CC[C@H](C)[C@H](C)C2)ccnc1F ZINC000862246404 589197135 /nfs/dbraw/zinc/19/71/35/589197135.db2.gz GQKYLGGQDUTPOH-WDEREUQCSA-N 0 3 236.334 3.007 20 0 BGADHN C[C@@H]1CN(Cc2cnc(C3CC3)o2)C(C)(C)C1 ZINC000862246488 589196719 /nfs/dbraw/zinc/19/67/19/589196719.db2.gz JSYUSDYWORGLBM-JTQLQIEISA-N 0 3 234.343 3.172 20 0 BGADHN C[C@H]1CN(Cc2cnc(C3CC3)o2)C(C)(C)C1 ZINC000862246493 589196798 /nfs/dbraw/zinc/19/67/98/589196798.db2.gz JSYUSDYWORGLBM-SNVBAGLBSA-N 0 3 234.343 3.172 20 0 BGADHN CC[C@H]1C[C@H](C)CN1Cc1ccnc(F)c1C ZINC000862247197 589196761 /nfs/dbraw/zinc/19/67/61/589196761.db2.gz SIUKSIHCSBWZCL-GWCFXTLKSA-N 0 3 236.334 3.150 20 0 BGADHN CC[C@@H]1C[C@H](C)CN1Cc1ccnc(F)c1C ZINC000862247198 589196620 /nfs/dbraw/zinc/19/66/20/589196620.db2.gz SIUKSIHCSBWZCL-GXFFZTMASA-N 0 3 236.334 3.150 20 0 BGADHN CC[C@H]1C[C@@H](C)CN1Cc1ccnc(F)c1C ZINC000862247201 589196802 /nfs/dbraw/zinc/19/68/02/589196802.db2.gz SIUKSIHCSBWZCL-MFKMUULPSA-N 0 3 236.334 3.150 20 0 BGADHN CC[C@@H]1C[C@@H](C)CN1Cc1ccnc(F)c1C ZINC000862247203 589196848 /nfs/dbraw/zinc/19/68/48/589196848.db2.gz SIUKSIHCSBWZCL-ZWNOBZJWSA-N 0 3 236.334 3.150 20 0 BGADHN Cc1c(CN2C[C@H](C)CC[C@H]2C)ccnc1F ZINC000862247398 589197114 /nfs/dbraw/zinc/19/71/14/589197114.db2.gz UOWRZAYNVXMNQI-GHMZBOCLSA-N 0 3 236.334 3.150 20 0 BGADHN Cc1c(CN2C[C@H](C)CC[C@@H]2C)ccnc1F ZINC000862247399 589197117 /nfs/dbraw/zinc/19/71/17/589197117.db2.gz UOWRZAYNVXMNQI-MNOVXSKESA-N 0 3 236.334 3.150 20 0 BGADHN Cc1c(CN2C[C@@H](C)CC[C@@H]2C)ccnc1F ZINC000862247400 589196729 /nfs/dbraw/zinc/19/67/29/589196729.db2.gz UOWRZAYNVXMNQI-QWRGUYRKSA-N 0 3 236.334 3.150 20 0 BGADHN Cc1c(CN2C[C@@H](C)CC[C@H]2C)ccnc1F ZINC000862247401 589197147 /nfs/dbraw/zinc/19/71/47/589197147.db2.gz UOWRZAYNVXMNQI-WDEREUQCSA-N 0 3 236.334 3.150 20 0 BGADHN CC(C)OCCN(C)Cc1ccc2cc[nH]c2c1 ZINC000862250387 589197752 /nfs/dbraw/zinc/19/77/52/589197752.db2.gz JLVCYJDWUFCVFY-UHFFFAOYSA-N 0 3 246.354 3.025 20 0 BGADHN CC[C@@]1(C)CCN(Cc2ccnc(F)c2C)C1 ZINC000862250601 589197274 /nfs/dbraw/zinc/19/72/74/589197274.db2.gz RRQUOQCGYBRDMG-AWEZNQCLSA-N 0 3 236.334 3.151 20 0 BGADHN CC[C@]1(C)CCN(Cc2ccnc(F)c2C)C1 ZINC000862250602 589197762 /nfs/dbraw/zinc/19/77/62/589197762.db2.gz RRQUOQCGYBRDMG-CQSZACIVSA-N 0 3 236.334 3.151 20 0 BGADHN Cc1c(CN(C)[C@H](C)C2(C)CC2)ccnc1F ZINC000862251861 589197676 /nfs/dbraw/zinc/19/76/76/589197676.db2.gz PIJCWBNHZDHENR-LLVKDONJSA-N 0 3 236.334 3.150 20 0 BGADHN Cc1c(CN(C)[C@@H](C)C2(C)CC2)ccnc1F ZINC000862251862 589197772 /nfs/dbraw/zinc/19/77/72/589197772.db2.gz PIJCWBNHZDHENR-NSHDSACASA-N 0 3 236.334 3.150 20 0 BGADHN Cc1c(CN2CC[C@@H](C(C)C)C2)ccnc1F ZINC000862252830 589197663 /nfs/dbraw/zinc/19/76/63/589197663.db2.gz XOYNEHGAOQWSNH-GFCCVEGCSA-N 0 3 236.334 3.007 20 0 BGADHN Cc1c(CN2CC[C@H](C(C)C)C2)ccnc1F ZINC000862252831 589197641 /nfs/dbraw/zinc/19/76/41/589197641.db2.gz XOYNEHGAOQWSNH-LBPRGKRZSA-N 0 3 236.334 3.007 20 0 BGADHN Cc1ccccc1CNCc1ccnc(F)c1C ZINC000862261744 589197723 /nfs/dbraw/zinc/19/77/23/589197723.db2.gz KIIIGRNYDZPJKJ-UHFFFAOYSA-N 0 3 244.313 3.127 20 0 BGADHN Cc1ccc(CNCc2ccnc(F)c2C)cc1 ZINC000862264032 589197365 /nfs/dbraw/zinc/19/73/65/589197365.db2.gz FEXQSJBEJPVXRR-UHFFFAOYSA-N 0 3 244.313 3.127 20 0 BGADHN Cc1c(F)nccc1CN[C@H](C)c1ccccc1 ZINC000862264120 589197463 /nfs/dbraw/zinc/19/74/63/589197463.db2.gz FMMFDQZRLGIOFX-GFCCVEGCSA-N 0 3 244.313 3.380 20 0 BGADHN Cc1c(F)nccc1CN[C@@H](C)c1ccccc1 ZINC000862264121 589197749 /nfs/dbraw/zinc/19/77/49/589197749.db2.gz FMMFDQZRLGIOFX-LBPRGKRZSA-N 0 3 244.313 3.380 20 0 BGADHN CCCCCCNCc1cnc(C2CC2)o1 ZINC000862264259 589198048 /nfs/dbraw/zinc/19/80/48/589198048.db2.gz KJYIZVGCDWAUQQ-UHFFFAOYSA-N 0 3 222.332 3.222 20 0 BGADHN Cc1cccc(CNCc2ccnc(F)c2C)c1 ZINC000862264979 589197909 /nfs/dbraw/zinc/19/79/09/589197909.db2.gz MRYATBYHLRWTRN-UHFFFAOYSA-N 0 3 244.313 3.127 20 0 BGADHN Cc1ncc(CNC[C@H](C)c2cccc(F)c2)o1 ZINC000862274147 589198002 /nfs/dbraw/zinc/19/80/02/589198002.db2.gz GFOOCYCYAMQFQS-JTQLQIEISA-N 0 3 248.301 3.015 20 0 BGADHN Cc1ncc(CNC[C@@H](C)c2cccc(F)c2)o1 ZINC000862274148 589198033 /nfs/dbraw/zinc/19/80/33/589198033.db2.gz GFOOCYCYAMQFQS-SNVBAGLBSA-N 0 3 248.301 3.015 20 0 BGADHN Cc1cc(C)nc(NCc2ccnc(F)c2C)c1 ZINC000862291174 589200283 /nfs/dbraw/zinc/20/02/83/589200283.db2.gz MMVGRHMRMPXIMA-UHFFFAOYSA-N 0 3 245.301 3.153 20 0 BGADHN Cc1c(CN(C)C[C@@H]2CC=CCC2)ccnc1F ZINC000862318730 589200463 /nfs/dbraw/zinc/20/04/63/589200463.db2.gz WWECMRCZCCEBEM-CYBMUJFWSA-N 0 3 248.345 3.317 20 0 BGADHN Cc1c(CN(C)C[C@H]2CC=CCC2)ccnc1F ZINC000862318731 589200442 /nfs/dbraw/zinc/20/04/42/589200442.db2.gz WWECMRCZCCEBEM-ZDUSSCGKSA-N 0 3 248.345 3.317 20 0 BGADHN CCN(CCC1CC1)Cc1ccnc(F)c1C ZINC000862326266 589201092 /nfs/dbraw/zinc/20/10/92/589201092.db2.gz MBOOPZYEJQAFNS-UHFFFAOYSA-N 0 3 236.334 3.151 20 0 BGADHN Cc1c(CN2CCCC[C@@H](C)C2)ccnc1F ZINC000862328617 589201475 /nfs/dbraw/zinc/20/14/75/589201475.db2.gz QJKQWOGDUYRQTQ-LLVKDONJSA-N 0 3 236.334 3.151 20 0 BGADHN Cc1c(CN2CCCC[C@H](C)C2)ccnc1F ZINC000862328618 589201385 /nfs/dbraw/zinc/20/13/85/589201385.db2.gz QJKQWOGDUYRQTQ-NSHDSACASA-N 0 3 236.334 3.151 20 0 BGADHN CC[C@H]1[C@@H](C)CCN1Cc1ccnc(F)c1C ZINC000862331486 589201472 /nfs/dbraw/zinc/20/14/72/589201472.db2.gz LSVHTEINEOULRJ-GWCFXTLKSA-N 0 3 236.334 3.150 20 0 BGADHN CC[C@@H]1[C@@H](C)CCN1Cc1ccnc(F)c1C ZINC000862331487 589201391 /nfs/dbraw/zinc/20/13/91/589201391.db2.gz LSVHTEINEOULRJ-GXFFZTMASA-N 0 3 236.334 3.150 20 0 BGADHN CC[C@H]1[C@H](C)CCN1Cc1ccnc(F)c1C ZINC000862331488 589201327 /nfs/dbraw/zinc/20/13/27/589201327.db2.gz LSVHTEINEOULRJ-MFKMUULPSA-N 0 3 236.334 3.150 20 0 BGADHN CC[C@@H]1[C@H](C)CCN1Cc1ccnc(F)c1C ZINC000862331489 589201305 /nfs/dbraw/zinc/20/13/05/589201305.db2.gz LSVHTEINEOULRJ-ZWNOBZJWSA-N 0 3 236.334 3.150 20 0 BGADHN Cc1ncc(CN2CCCC3(CCCC3)C2)o1 ZINC000862336902 589201041 /nfs/dbraw/zinc/20/10/41/589201041.db2.gz MYGIOBGYPUYTPS-UHFFFAOYSA-N 0 3 234.343 3.139 20 0 BGADHN Cc1c(CN2CC3(CCC3)C[C@H]2C)ccnc1F ZINC000862347111 589201621 /nfs/dbraw/zinc/20/16/21/589201621.db2.gz MXAHUSIOXBIIBJ-LLVKDONJSA-N 0 3 248.345 3.294 20 0 BGADHN Cc1c(CN2CC3(CCC3)C[C@@H]2C)ccnc1F ZINC000862347112 589201966 /nfs/dbraw/zinc/20/19/66/589201966.db2.gz MXAHUSIOXBIIBJ-NSHDSACASA-N 0 3 248.345 3.294 20 0 BGADHN c1nc(C2CC2)oc1CN1CCCC12CCC2 ZINC000862348919 589201671 /nfs/dbraw/zinc/20/16/71/589201671.db2.gz JOWFUORVOBCXIS-UHFFFAOYSA-N 0 3 232.327 3.071 20 0 BGADHN CCN(Cc1ccnc(F)c1C)CC1CCC1 ZINC000862351412 589202282 /nfs/dbraw/zinc/20/22/82/589202282.db2.gz OXXGIVARAXTKAZ-UHFFFAOYSA-N 0 3 236.334 3.151 20 0 BGADHN Cc1c(CN2CCC3(CCC3)CC2)ccnc1F ZINC000862365464 589204353 /nfs/dbraw/zinc/20/43/53/589204353.db2.gz TWGOCNDIGJYMRX-UHFFFAOYSA-N 0 3 248.345 3.295 20 0 BGADHN CC[C@H]1CC[C@H](C)N1Cc1ccnc(F)c1C ZINC000862368011 589204821 /nfs/dbraw/zinc/20/48/21/589204821.db2.gz BDAONKPFZOLOMK-GWCFXTLKSA-N 0 3 236.334 3.292 20 0 BGADHN CC[C@@H]1CC[C@H](C)N1Cc1ccnc(F)c1C ZINC000862368012 589205280 /nfs/dbraw/zinc/20/52/80/589205280.db2.gz BDAONKPFZOLOMK-GXFFZTMASA-N 0 3 236.334 3.292 20 0 BGADHN CC[C@H]1CC[C@@H](C)N1Cc1ccnc(F)c1C ZINC000862368013 589204901 /nfs/dbraw/zinc/20/49/01/589204901.db2.gz BDAONKPFZOLOMK-MFKMUULPSA-N 0 3 236.334 3.292 20 0 BGADHN CC[C@@H]1CC[C@@H](C)N1Cc1ccnc(F)c1C ZINC000862368014 589205256 /nfs/dbraw/zinc/20/52/56/589205256.db2.gz BDAONKPFZOLOMK-ZWNOBZJWSA-N 0 3 236.334 3.292 20 0 BGADHN Cc1c(F)nccc1CNC1C(C)(C)C1(C)C ZINC000862368764 589205053 /nfs/dbraw/zinc/20/50/53/589205053.db2.gz MQLXDDNJYQDENH-UHFFFAOYSA-N 0 3 236.334 3.053 20 0 BGADHN Cc1c(CN2CCC[C@H](C3CC3)C2)ccnc1F ZINC000862369136 589205294 /nfs/dbraw/zinc/20/52/94/589205294.db2.gz QHQKWSGBJNBGLS-AWEZNQCLSA-N 0 3 248.345 3.151 20 0 BGADHN Cc1c(CN2CCC[C@@H](C3CC3)C2)ccnc1F ZINC000862369137 589204939 /nfs/dbraw/zinc/20/49/39/589204939.db2.gz QHQKWSGBJNBGLS-CQSZACIVSA-N 0 3 248.345 3.151 20 0 BGADHN CC1(C)C(NCc2cnc(C3CC3)o2)C1(C)C ZINC000862369455 589204893 /nfs/dbraw/zinc/20/48/93/589204893.db2.gz UNIOCBBERKQJHZ-UHFFFAOYSA-N 0 3 234.343 3.076 20 0 BGADHN Cc1c(CN(C2CCC2)C2CCC2)ccnc1F ZINC000862372854 589205601 /nfs/dbraw/zinc/20/56/01/589205601.db2.gz BTERJCARJYEZDV-UHFFFAOYSA-N 0 3 248.345 3.436 20 0 BGADHN CCN(Cc1ccnc(F)c1C)CC(C)(C)C ZINC000862373229 589205206 /nfs/dbraw/zinc/20/52/06/589205206.db2.gz CISTYCBIZWWUQE-UHFFFAOYSA-N 0 3 238.350 3.397 20 0 BGADHN Cc1c(CN2CCC(C3CC3)CC2)ccnc1F ZINC000862375403 589205552 /nfs/dbraw/zinc/20/55/52/589205552.db2.gz OSQSMOIRGQUCJQ-UHFFFAOYSA-N 0 3 248.345 3.151 20 0 BGADHN C[C@@]1(CN2CCC[C@@](C)(F)C2)CCCS1 ZINC000862381256 589206419 /nfs/dbraw/zinc/20/64/19/589206419.db2.gz APYODDHIKLZEEW-NEPJUHHUSA-N 0 3 231.380 3.096 20 0 BGADHN C[C@]1(CN2CCC[C@](C)(F)C2)CCCS1 ZINC000862381257 589206327 /nfs/dbraw/zinc/20/63/27/589206327.db2.gz APYODDHIKLZEEW-NWDGAFQWSA-N 0 3 231.380 3.096 20 0 BGADHN C[C@@]1(CN2CCC[C@](C)(F)C2)CCCS1 ZINC000862381258 589206330 /nfs/dbraw/zinc/20/63/30/589206330.db2.gz APYODDHIKLZEEW-RYUDHWBXSA-N 0 3 231.380 3.096 20 0 BGADHN C[C@]1(CN2CCC[C@@](C)(F)C2)CCCS1 ZINC000862381259 589205670 /nfs/dbraw/zinc/20/56/70/589205670.db2.gz APYODDHIKLZEEW-VXGBXAGGSA-N 0 3 231.380 3.096 20 0 BGADHN Cc1c(CNCC2=CCCCC2)ccnc1F ZINC000862381622 589206539 /nfs/dbraw/zinc/20/65/39/589206539.db2.gz FPWZGFXSYJOHJP-UHFFFAOYSA-N 0 3 234.318 3.119 20 0 BGADHN Cc1ccc([C@H](C)CN2CC3(CC3)C2)cc1 ZINC000862381839 589206484 /nfs/dbraw/zinc/20/64/84/589206484.db2.gz JJAIMQKCSADLBD-CYBMUJFWSA-N 0 3 215.340 3.194 20 0 BGADHN Cc1ccc([C@@H](C)CN2CC3(CC3)C2)cc1 ZINC000862381840 589206344 /nfs/dbraw/zinc/20/63/44/589206344.db2.gz JJAIMQKCSADLBD-ZDUSSCGKSA-N 0 3 215.340 3.194 20 0 BGADHN Cc1c(CN2C[C@@H]3CCCC[C@@H]3C2)ccnc1F ZINC000862384957 589206990 /nfs/dbraw/zinc/20/69/90/589206990.db2.gz CSUQMRWYJZXAER-OKILXGFUSA-N 0 3 248.345 3.151 20 0 BGADHN Cc1ncc(CN2CCCCCCCC2)o1 ZINC000862388342 589207529 /nfs/dbraw/zinc/20/75/29/589207529.db2.gz ZUPUMAZGMVNKDD-UHFFFAOYSA-N 0 3 222.332 3.139 20 0 BGADHN Cc1c(CN[C@@H]2C[C@H]2CC(C)C)ccnc1F ZINC000862390659 589207834 /nfs/dbraw/zinc/20/78/34/589207834.db2.gz AEJGGFYSYBQZPN-CHWSQXEVSA-N 0 3 236.334 3.053 20 0 BGADHN Cc1c(CN(C)C2CC(C)(C)C2)ccnc1F ZINC000862393087 589208429 /nfs/dbraw/zinc/20/84/29/589208429.db2.gz YERIKCLIVWQSIP-UHFFFAOYSA-N 0 3 236.334 3.150 20 0 BGADHN Cc1c(CN2CC(C)(C)C[C@@H]2C)ccnc1F ZINC000862394880 589208206 /nfs/dbraw/zinc/20/82/06/589208206.db2.gz SCOWZTYWUZMUEF-JTQLQIEISA-N 0 3 236.334 3.150 20 0 BGADHN Cc1c(CN2CC(C)(C)C[C@H]2C)ccnc1F ZINC000862394881 589208402 /nfs/dbraw/zinc/20/84/02/589208402.db2.gz SCOWZTYWUZMUEF-SNVBAGLBSA-N 0 3 236.334 3.150 20 0 BGADHN Cc1c(CN2CC[C@H](C3CCC3)C2)ccnc1F ZINC000862396444 589208921 /nfs/dbraw/zinc/20/89/21/589208921.db2.gz PUFREHNWIDHZEK-AWEZNQCLSA-N 0 3 248.345 3.151 20 0 BGADHN Cc1c(CN2CC[C@@H](C3CCC3)C2)ccnc1F ZINC000862396445 589208835 /nfs/dbraw/zinc/20/88/35/589208835.db2.gz PUFREHNWIDHZEK-CQSZACIVSA-N 0 3 248.345 3.151 20 0 BGADHN Cc1c(CN2C[C@H](C)[C@@H](C)[C@H]2C)ccnc1F ZINC000862396544 589208944 /nfs/dbraw/zinc/20/89/44/589208944.db2.gz RWSNNGMKUFIPTH-HOSYDEDBSA-N 0 3 236.334 3.005 20 0 BGADHN Cc1c(CN2C[C@H](C)[C@H](C)[C@H]2C)ccnc1F ZINC000862396545 589208787 /nfs/dbraw/zinc/20/87/87/589208787.db2.gz RWSNNGMKUFIPTH-JBLDHEPKSA-N 0 3 236.334 3.005 20 0 BGADHN Cc1c(CN2C[C@H](C)[C@H](C)[C@@H]2C)ccnc1F ZINC000862396546 589208810 /nfs/dbraw/zinc/20/88/10/589208810.db2.gz RWSNNGMKUFIPTH-NHCYSSNCSA-N 0 3 236.334 3.005 20 0 BGADHN Cc1c(CN2C[C@H](C)[C@@H](C)[C@@H]2C)ccnc1F ZINC000862396547 589208924 /nfs/dbraw/zinc/20/89/24/589208924.db2.gz RWSNNGMKUFIPTH-UMNHJUIQSA-N 0 3 236.334 3.005 20 0 BGADHN Cc1c(CN2CC[C@@H](C)C[C@H]2C)ccnc1F ZINC000862397912 589209503 /nfs/dbraw/zinc/20/95/03/589209503.db2.gz QANQFVIGRYITPW-GHMZBOCLSA-N 0 3 236.334 3.150 20 0 BGADHN Cc1c(CN2CC[C@@H]3CCCC[C@@H]32)ccnc1F ZINC000862398575 589209392 /nfs/dbraw/zinc/20/93/92/589209392.db2.gz MPQPYWSEZLNQJG-JSGCOSHPSA-N 0 3 248.345 3.294 20 0 BGADHN Cc1c(F)nccc1CN(C)CCC(C)(C)C ZINC000862400194 589207248 /nfs/dbraw/zinc/20/72/48/589207248.db2.gz POVUYMFPLMLMFB-UHFFFAOYSA-N 0 3 238.350 3.397 20 0 BGADHN CCCN(Cc1ccnc(F)c1C)C(C)C ZINC000862401176 589209436 /nfs/dbraw/zinc/20/94/36/589209436.db2.gz AIDTYKCTSDWZRS-UHFFFAOYSA-N 0 3 224.323 3.150 20 0 BGADHN Cc1c(CN2CCC23CCCC3)ccnc1F ZINC000862402024 589209509 /nfs/dbraw/zinc/20/95/09/589209509.db2.gz WVXPVJVRYMAXDQ-UHFFFAOYSA-N 0 3 234.318 3.048 20 0 BGADHN Cc1c(CNC2(CC(C)C)CC2)ccnc1F ZINC000862418399 589211945 /nfs/dbraw/zinc/21/19/45/589211945.db2.gz IQBIHXFQTYPLKU-UHFFFAOYSA-N 0 3 236.334 3.197 20 0 BGADHN Cc1c(CN(C)C[C@H]2CC2(C)C)ccnc1F ZINC000862420870 589211861 /nfs/dbraw/zinc/21/18/61/589211861.db2.gz ZTNUBRRBRULGEG-GFCCVEGCSA-N 0 3 236.334 3.007 20 0 BGADHN Cc1c(CN(C)C[C@@H]2CC2(C)C)ccnc1F ZINC000862420871 589212002 /nfs/dbraw/zinc/21/20/02/589212002.db2.gz ZTNUBRRBRULGEG-LBPRGKRZSA-N 0 3 236.334 3.007 20 0 BGADHN Clc1ccc(/C=C/CN2C[C@@H]3C[C@@H]3C2)cc1 ZINC000862442240 589213547 /nfs/dbraw/zinc/21/35/47/589213547.db2.gz YSZAHRVZUQCPDW-DQOPJHAQSA-N 0 3 233.742 3.305 20 0 BGADHN Clc1ccc(/C=C\CN2C[C@@H]3C[C@@H]3C2)cc1 ZINC000862442316 589213297 /nfs/dbraw/zinc/21/32/97/589213297.db2.gz YSZAHRVZUQCPDW-JPIVSMNTSA-N 0 3 233.742 3.305 20 0 BGADHN CC(C)COc1cccc(CN2C[C@@H]3C[C@@H]3C2)c1 ZINC000862442748 589213596 /nfs/dbraw/zinc/21/35/96/589213596.db2.gz HGESMSIDUBJNJY-GASCZTMLSA-N 0 3 245.366 3.173 20 0 BGADHN C[C@H](c1ccc(Cl)cc1)N1C[C@@H]2C[C@@H]2C1 ZINC000862443193 589213187 /nfs/dbraw/zinc/21/31/87/589213187.db2.gz LPLWLFGFPURXGR-JLLWLGSASA-N 0 3 221.731 3.353 20 0 BGADHN C[C@@H](c1ccc(Cl)cc1)N1C[C@@H]2C[C@@H]2C1 ZINC000862443196 589213478 /nfs/dbraw/zinc/21/34/78/589213478.db2.gz LPLWLFGFPURXGR-ZMLRMANQSA-N 0 3 221.731 3.353 20 0 BGADHN Cc1cc(CNC2(C)CCC(C)(C)CC2)no1 ZINC000862508370 589217720 /nfs/dbraw/zinc/21/77/20/589217720.db2.gz RNFKGCBEUVJUNH-UHFFFAOYSA-N 0 3 236.359 3.432 20 0 BGADHN Cc1ncc(CNC2(C)CCC(C)(C)CC2)o1 ZINC000862508696 589217827 /nfs/dbraw/zinc/21/78/27/589217827.db2.gz WZWOKTMMCIUMDQ-UHFFFAOYSA-N 0 3 236.359 3.432 20 0 BGADHN C[C@H](CN(C)Cc1cncnc1)C1CCCCC1 ZINC000862526152 589217830 /nfs/dbraw/zinc/21/78/30/589217830.db2.gz NZTPHLWLAVOYIW-CYBMUJFWSA-N 0 3 247.386 3.125 20 0 BGADHN C[C@@H](CN(C)Cc1cncnc1)C1CCCCC1 ZINC000862526153 589217774 /nfs/dbraw/zinc/21/77/74/589217774.db2.gz NZTPHLWLAVOYIW-ZDUSSCGKSA-N 0 3 247.386 3.125 20 0 BGADHN FC1(CN2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)CC1 ZINC000862529740 589218217 /nfs/dbraw/zinc/21/82/17/589218217.db2.gz YLNICONODOMNRY-SOUVJXGZSA-N 0 3 245.341 3.224 20 0 BGADHN Cc1c(CN2CCCC3(CC3)CC2)ccnc1F ZINC000862538742 589218014 /nfs/dbraw/zinc/21/80/14/589218014.db2.gz FAVSKZVMWLAGDJ-UHFFFAOYSA-N 0 3 248.345 3.295 20 0 BGADHN Cc1nc(F)ccc1CN1CCCC2(CC2)CC1 ZINC000862539231 589218194 /nfs/dbraw/zinc/21/81/94/589218194.db2.gz KPLVFWZXZHAYPJ-UHFFFAOYSA-N 0 3 248.345 3.295 20 0 BGADHN CC1=CC[C@@H](N[C@H](C)c2ccns2)CC1 ZINC000862539763 589218927 /nfs/dbraw/zinc/21/89/27/589218927.db2.gz RMBKLASYQDTAOU-GHMZBOCLSA-N 0 3 222.357 3.293 20 0 BGADHN CC1=CC[C@H](N[C@H](C)c2ccns2)CC1 ZINC000862539765 589218602 /nfs/dbraw/zinc/21/86/02/589218602.db2.gz RMBKLASYQDTAOU-MNOVXSKESA-N 0 3 222.357 3.293 20 0 BGADHN CC1=CC[C@H](N[C@@H](C)c2ccns2)CC1 ZINC000862539767 589218654 /nfs/dbraw/zinc/21/86/54/589218654.db2.gz RMBKLASYQDTAOU-QWRGUYRKSA-N 0 3 222.357 3.293 20 0 BGADHN CC1=CC[C@@H](N[C@@H](C)c2ccns2)CC1 ZINC000862539769 589218537 /nfs/dbraw/zinc/21/85/37/589218537.db2.gz RMBKLASYQDTAOU-WDEREUQCSA-N 0 3 222.357 3.293 20 0 BGADHN Clc1ccc2c(c1)[C@H](NC1CSC1)CC2 ZINC000862539773 589218606 /nfs/dbraw/zinc/21/86/06/589218606.db2.gz VIACEKHHYJKQSX-GFCCVEGCSA-N 0 3 239.771 3.032 20 0 BGADHN Clc1ccc2c(c1)[C@@H](NC1CSC1)CC2 ZINC000862539774 589218895 /nfs/dbraw/zinc/21/88/95/589218895.db2.gz VIACEKHHYJKQSX-LBPRGKRZSA-N 0 3 239.771 3.032 20 0 BGADHN C[C@@H](NC1CC2(CCC2)C1)c1ccns1 ZINC000862539954 589218542 /nfs/dbraw/zinc/21/85/42/589218542.db2.gz VJCZHQMRRKBRLL-SECBINFHSA-N 0 3 222.357 3.126 20 0 BGADHN C[C@H](NC1CC2(CCC2)C1)c1ccns1 ZINC000862539956 589218554 /nfs/dbraw/zinc/21/85/54/589218554.db2.gz VJCZHQMRRKBRLL-VIFPVBQESA-N 0 3 222.357 3.126 20 0 BGADHN Cc1cccc(CCN[C@H](C)c2ccns2)c1 ZINC000862540042 589218719 /nfs/dbraw/zinc/21/87/19/589218719.db2.gz XXRUOVJPWMDVGP-GFCCVEGCSA-N 0 3 246.379 3.345 20 0 BGADHN C/C=C/C[C@H]1CCCN(Cc2ccc(F)nc2)C1 ZINC000862550098 589220756 /nfs/dbraw/zinc/22/07/56/589220756.db2.gz IUFGHGAFDZRWAL-IBUXWKBASA-N 0 3 248.345 3.399 20 0 BGADHN C/C=C\C[C@@H]1CCCN(Cc2ccc(F)nc2)C1 ZINC000862550101 589220722 /nfs/dbraw/zinc/22/07/22/589220722.db2.gz IUFGHGAFDZRWAL-XQJDBVBESA-N 0 3 248.345 3.399 20 0 BGADHN C/C=C/C[C@@H]1CCCN(Cc2ccc(F)nc2)C1 ZINC000862550103 589220950 /nfs/dbraw/zinc/22/09/50/589220950.db2.gz IUFGHGAFDZRWAL-YWVDXFKGSA-N 0 3 248.345 3.399 20 0 BGADHN C/C=C\C[C@H]1CCCN(Cc2ccc(F)nc2)C1 ZINC000862550105 589220790 /nfs/dbraw/zinc/22/07/90/589220790.db2.gz IUFGHGAFDZRWAL-ZRMMWKCHSA-N 0 3 248.345 3.399 20 0 BGADHN C/C=C/C[C@H]1CCCN(Cc2ccoc2)C1 ZINC000862550471 589220772 /nfs/dbraw/zinc/22/07/72/589220772.db2.gz LUNRVTQPKALADF-IBUXWKBASA-N 0 3 219.328 3.458 20 0 BGADHN C/C=C\C[C@@H]1CCCN(Cc2ccoc2)C1 ZINC000862550472 589220879 /nfs/dbraw/zinc/22/08/79/589220879.db2.gz LUNRVTQPKALADF-XQJDBVBESA-N 0 3 219.328 3.458 20 0 BGADHN Cc1cc(OCc2ccnc(F)c2)c(C)c(C)n1 ZINC000863474131 589291304 /nfs/dbraw/zinc/29/13/04/589291304.db2.gz CGULZBSFGVINNH-UHFFFAOYSA-N 0 3 246.285 3.120 20 0 BGADHN C/C=C/CNC[C@H](O)c1cccc2ccccc21 ZINC000863581443 589301185 /nfs/dbraw/zinc/30/11/85/589301185.db2.gz AQDRPDSXNOEITC-KZSQQDEKSA-N 0 3 241.334 3.039 20 0 BGADHN C/C=C\CNC[C@H](O)c1cccc2ccccc21 ZINC000863581444 589301334 /nfs/dbraw/zinc/30/13/34/589301334.db2.gz AQDRPDSXNOEITC-YPQKKHBXSA-N 0 3 241.334 3.039 20 0 BGADHN CN(C)c1ccccc1-c1ccc2c(c1)CNC2 ZINC000863680718 589310661 /nfs/dbraw/zinc/31/06/61/589310661.db2.gz GQNTUSCVUIVQLZ-UHFFFAOYSA-N 0 3 238.334 3.023 20 0 BGADHN Cc1ccc(O)c(-c2ccc(CN(C)C)cc2)c1 ZINC000863691620 589311045 /nfs/dbraw/zinc/31/10/45/589311045.db2.gz JOPZEABTAKQVOU-UHFFFAOYSA-N 0 3 241.334 3.429 20 0 BGADHN Cc1cc(O)ccc1-c1ccc(CN(C)C)cc1 ZINC000863691833 589310972 /nfs/dbraw/zinc/31/09/72/589310972.db2.gz MLIUCGJDWRZEKE-UHFFFAOYSA-N 0 3 241.334 3.429 20 0 BGADHN Cc1ccc(-c2ccc(CN(C)C)cc2)c(O)c1 ZINC000863692066 589310757 /nfs/dbraw/zinc/31/07/57/589310757.db2.gz RGAGNRABEKWVJQ-UHFFFAOYSA-N 0 3 241.334 3.429 20 0 BGADHN Cc1ccc(-c2ccc(CN(C)C)cc2)cc1O ZINC000863692244 589310941 /nfs/dbraw/zinc/31/09/41/589310941.db2.gz SRQHPERBBFMOTD-UHFFFAOYSA-N 0 3 241.334 3.429 20 0 BGADHN Cc1nc(-c2ccc(CN(C)C)cc2)sc1C ZINC000863692703 589309810 /nfs/dbraw/zinc/30/98/10/589309810.db2.gz ZHIOPAJXTNHEJM-UHFFFAOYSA-N 0 3 246.379 3.489 20 0 BGADHN Cc1ccc(F)cc1-c1ccc2c(c1)CCNC2 ZINC000863725330 589312935 /nfs/dbraw/zinc/31/29/35/589312935.db2.gz PCYWZEIWNADLSD-UHFFFAOYSA-N 0 3 241.309 3.447 20 0 BGADHN COc1cc(C)ccc1-c1ccc2c(c1)CNC2 ZINC000863728707 589313327 /nfs/dbraw/zinc/31/33/27/589313327.db2.gz QLXZVCVAGKONQK-UHFFFAOYSA-N 0 3 239.318 3.274 20 0 BGADHN Cc1cc(-c2ccc(CN(C)C)cc2)co1 ZINC000863974542 589331148 /nfs/dbraw/zinc/33/11/48/589331148.db2.gz XRDRTCNNRFJBDW-UHFFFAOYSA-N 0 3 215.296 3.317 20 0 BGADHN Cc1cc(CNC2(C)CCC(C)(C)CC2)on1 ZINC000864050322 589334732 /nfs/dbraw/zinc/33/47/32/589334732.db2.gz COLBOYBLMCCREV-UHFFFAOYSA-N 0 3 236.359 3.432 20 0 BGADHN C[C@@H](O)c1ccc(-c2ccc3c(c2)CNC3)cc1 ZINC000864549456 589378021 /nfs/dbraw/zinc/37/80/21/589378021.db2.gz UVUWYUPUMDBMBW-LLVKDONJSA-N 0 3 239.318 3.010 20 0 BGADHN C[C@H](O)c1ccc(-c2ccc3c(c2)CNC3)cc1 ZINC000864549457 589378150 /nfs/dbraw/zinc/37/81/50/589378150.db2.gz UVUWYUPUMDBMBW-NSHDSACASA-N 0 3 239.318 3.010 20 0 BGADHN CCN(CC)CCS[C@H](C)C(=O)C(C)(C)C ZINC000865357178 589424718 /nfs/dbraw/zinc/42/47/18/589424718.db2.gz GOAMZCRLBTXEJE-LLVKDONJSA-N 0 3 245.432 3.065 20 0 BGADHN CCN(CC)CCS[C@@H](C)C(=O)C(C)(C)C ZINC000865357179 589424759 /nfs/dbraw/zinc/42/47/59/589424759.db2.gz GOAMZCRLBTXEJE-NSHDSACASA-N 0 3 245.432 3.065 20 0 BGADHN CN(C)CCSCCCSC(C)(C)C ZINC000865359776 589425554 /nfs/dbraw/zinc/42/55/54/589425554.db2.gz UNYQIBAZKUVFGO-UHFFFAOYSA-N 0 3 235.462 3.203 20 0 BGADHN c1nc(CNCCC2=CCCCC2)cn1C1CC1 ZINC000865396806 645718522 /nfs/dbraw/zinc/71/85/22/645718522.db2.gz DFIMZPDFWQORLR-UHFFFAOYSA-N 0 3 245.370 3.198 20 0 BGADHN CC(C)CC[C@@H](C)NCc1cn(C2CC2)cn1 ZINC000865397382 584017301 /nfs/dbraw/zinc/01/73/01/584017301.db2.gz GQQUZWIXCCDSSJ-GFCCVEGCSA-N 0 3 235.375 3.132 20 0 BGADHN CC(C)CC[C@H](C)NCc1cn(C2CC2)cn1 ZINC000865397386 584017406 /nfs/dbraw/zinc/01/74/06/584017406.db2.gz GQQUZWIXCCDSSJ-LBPRGKRZSA-N 0 3 235.375 3.132 20 0 BGADHN CCCCCCNCc1cc2c(cc[nH]c2=O)o1 ZINC000865397535 589431880 /nfs/dbraw/zinc/43/18/80/589431880.db2.gz JDYJOONHCJNQFU-UHFFFAOYSA-N 0 3 248.326 3.203 20 0 BGADHN c1nc(CNC2CCCCCC2)cn1C1CC1 ZINC000865397771 589431824 /nfs/dbraw/zinc/43/18/24/589431824.db2.gz MMIGFRVUMXDHTN-UHFFFAOYSA-N 0 3 233.359 3.030 20 0 BGADHN CCCCC[C@@H](C)NCc1cn(C2CC2)cn1 ZINC000865397877 589432146 /nfs/dbraw/zinc/43/21/46/589432146.db2.gz PCNJKTIBYMJRIT-GFCCVEGCSA-N 0 3 235.375 3.276 20 0 BGADHN CCCCC[C@H](C)NCc1cn(C2CC2)cn1 ZINC000865397878 589431782 /nfs/dbraw/zinc/43/17/82/589431782.db2.gz PCNJKTIBYMJRIT-LBPRGKRZSA-N 0 3 235.375 3.276 20 0 BGADHN CC(C)CCNCc1cnc(Cl)c(F)c1 ZINC000865398137 589432058 /nfs/dbraw/zinc/43/20/58/589432058.db2.gz RENLXGLRCPSRAY-UHFFFAOYSA-N 0 3 230.714 3.010 20 0 BGADHN CC(C)(C)Oc1cccc(CNC2CC2)c1 ZINC000865398154 589432078 /nfs/dbraw/zinc/43/20/78/589432078.db2.gz SCRMRHLULRDPIZ-UHFFFAOYSA-N 0 3 219.328 3.116 20 0 BGADHN CCC[C@@H](C)NCc1cnc(Cl)c(F)c1 ZINC000865398220 589431715 /nfs/dbraw/zinc/43/17/15/589431715.db2.gz WKBXGIMXRDPAEX-MRVPVSSYSA-N 0 3 230.714 3.152 20 0 BGADHN CCC[C@H](C)NCc1cnc(Cl)c(F)c1 ZINC000865398221 589432134 /nfs/dbraw/zinc/43/21/34/589432134.db2.gz WKBXGIMXRDPAEX-QMMMGPOBSA-N 0 3 230.714 3.152 20 0 BGADHN C[C@@H]1CCC[C@H](NCc2cn(C3CC3)cn2)[C@@H]1C ZINC000865398348 589432076 /nfs/dbraw/zinc/43/20/76/589432076.db2.gz UIVQOEUODQZVFI-JMSVASOKSA-N 0 3 247.386 3.132 20 0 BGADHN C[C@@H]1CCC[C@@H](NCc2cn(C3CC3)cn2)[C@@H]1C ZINC000865398349 589432117 /nfs/dbraw/zinc/43/21/17/589432117.db2.gz UIVQOEUODQZVFI-LALPHHSUSA-N 0 3 247.386 3.132 20 0 BGADHN C[C@@H]1CCC[C@@H](NCc2cn(C3CC3)cn2)[C@H]1C ZINC000865398350 589432006 /nfs/dbraw/zinc/43/20/06/589432006.db2.gz UIVQOEUODQZVFI-TYNCELHUSA-N 0 3 247.386 3.132 20 0 BGADHN C[C@@H]1CCC[C@H](NCc2cn(C3CC3)cn2)[C@H]1C ZINC000865398351 589431749 /nfs/dbraw/zinc/43/17/49/589431749.db2.gz UIVQOEUODQZVFI-XUJVJEKNSA-N 0 3 247.386 3.132 20 0 BGADHN Clc1cncc(Cl)c1CNC1CCCC1 ZINC000865398857 589432468 /nfs/dbraw/zinc/43/24/68/589432468.db2.gz BPLKHDNOGANQSB-UHFFFAOYSA-N 0 3 245.153 3.421 20 0 BGADHN c1nc(CNC2CCCCCCC2)cn1C1CC1 ZINC000865398887 589432556 /nfs/dbraw/zinc/43/25/56/589432556.db2.gz CJPMABJPVHJPDP-UHFFFAOYSA-N 0 3 247.386 3.421 20 0 BGADHN CCCCNCc1c(Cl)cncc1Cl ZINC000865399043 589432235 /nfs/dbraw/zinc/43/22/35/589432235.db2.gz GHRGXQPHECOWAY-UHFFFAOYSA-N 0 3 233.142 3.278 20 0 BGADHN CC(C)CNCc1c(Cl)cncc1Cl ZINC000865399153 589432273 /nfs/dbraw/zinc/43/22/73/589432273.db2.gz IJDDDABCKPUFAN-UHFFFAOYSA-N 0 3 233.142 3.134 20 0 BGADHN CCCCCNCc1cnc(Cl)c(F)c1 ZINC000865401324 589432944 /nfs/dbraw/zinc/43/29/44/589432944.db2.gz PJTMZGYPODBLTH-UHFFFAOYSA-N 0 3 230.714 3.154 20 0 BGADHN CSCCNCc1cccc(Cl)c1C ZINC000865401616 589432917 /nfs/dbraw/zinc/43/29/17/589432917.db2.gz FALOSIKKKBFQQT-UHFFFAOYSA-N 0 3 229.776 3.101 20 0 BGADHN C[C@@H](NCc1c(Cl)cncc1Cl)C1CC1 ZINC000865403451 589433288 /nfs/dbraw/zinc/43/32/88/589433288.db2.gz GFNPHWHMMFALNC-SSDOTTSWSA-N 0 3 245.153 3.277 20 0 BGADHN C[C@H](NCc1c(Cl)cncc1Cl)C1CC1 ZINC000865403452 589433297 /nfs/dbraw/zinc/43/32/97/589433297.db2.gz GFNPHWHMMFALNC-ZETCQYMHSA-N 0 3 245.153 3.277 20 0 BGADHN c1nc(CNCCCC2CCCC2)cn1C1CC1 ZINC000865407195 589433564 /nfs/dbraw/zinc/43/35/64/589433564.db2.gz USYAYKPYYQHVRX-UHFFFAOYSA-N 0 3 247.386 3.278 20 0 BGADHN CC(C)CCCNCc1cnc(Cl)c(F)c1 ZINC000865407344 589433587 /nfs/dbraw/zinc/43/35/87/589433587.db2.gz GJJFNLZZKSVPNK-UHFFFAOYSA-N 0 3 244.741 3.400 20 0 BGADHN c1nc(CNCCC2CCCCC2)cn1C1CC1 ZINC000865407786 589433695 /nfs/dbraw/zinc/43/36/95/589433695.db2.gz JDKPVBNZKKPGPA-UHFFFAOYSA-N 0 3 247.386 3.278 20 0 BGADHN CC(C)CCCNCc1cc2c(cc[nH]c2=O)o1 ZINC000865408137 589433429 /nfs/dbraw/zinc/43/34/29/589433429.db2.gz SMXHDZLEMITJAM-UHFFFAOYSA-N 0 3 248.326 3.059 20 0 BGADHN CC(C)(C)CCNCc1cc2c(cc[nH]c2=O)o1 ZINC000865408712 589433462 /nfs/dbraw/zinc/43/34/62/589433462.db2.gz DUGLQYIIOXCQNM-UHFFFAOYSA-N 0 3 248.326 3.059 20 0 BGADHN CC(C)(C)CCNCc1cnc(Cl)c(F)c1 ZINC000865408796 589433484 /nfs/dbraw/zinc/43/34/84/589433484.db2.gz HUNMQYRPCKCIFW-UHFFFAOYSA-N 0 3 244.741 3.400 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1NCc1cn(C2CC2)cn1 ZINC000865409835 589434333 /nfs/dbraw/zinc/43/43/33/589434333.db2.gz WSHVWHRPTZHNES-DOMZBBRYSA-N 0 3 247.386 3.276 20 0 BGADHN CC[C@@H]1CCCC[C@H]1NCc1cn(C2CC2)cn1 ZINC000865409836 589434278 /nfs/dbraw/zinc/43/42/78/589434278.db2.gz WSHVWHRPTZHNES-IUODEOHRSA-N 0 3 247.386 3.276 20 0 BGADHN CC[C@H]1CCCC[C@H]1NCc1cn(C2CC2)cn1 ZINC000865409837 589434533 /nfs/dbraw/zinc/43/45/33/589434533.db2.gz WSHVWHRPTZHNES-SWLSCSKDSA-N 0 3 247.386 3.276 20 0 BGADHN CC[C@H]1CCCC[C@@H]1NCc1cn(C2CC2)cn1 ZINC000865409838 589434354 /nfs/dbraw/zinc/43/43/54/589434354.db2.gz WSHVWHRPTZHNES-WFASDCNBSA-N 0 3 247.386 3.276 20 0 BGADHN C[C@@H]1C[C@@H]1CNCc1c(Cl)cncc1Cl ZINC000865413949 589434228 /nfs/dbraw/zinc/43/42/28/589434228.db2.gz DMGSNYIWCAQIBL-HTQZYQBOSA-N 0 3 245.153 3.134 20 0 BGADHN C[C@H]1C[C@@H]1CNCc1c(Cl)cncc1Cl ZINC000865413950 589434365 /nfs/dbraw/zinc/43/43/65/589434365.db2.gz DMGSNYIWCAQIBL-JGVFFNPUSA-N 0 3 245.153 3.134 20 0 BGADHN C[C@@H]1C[C@H]1CNCc1c(Cl)cncc1Cl ZINC000865413951 589433513 /nfs/dbraw/zinc/43/35/13/589433513.db2.gz DMGSNYIWCAQIBL-SFYZADRCSA-N 0 3 245.153 3.134 20 0 BGADHN C[C@H]1C[C@H]1CNCc1c(Cl)cncc1Cl ZINC000865413952 589433761 /nfs/dbraw/zinc/43/37/61/589433761.db2.gz DMGSNYIWCAQIBL-YUMQZZPRSA-N 0 3 245.153 3.134 20 0 BGADHN C[C@@H]1CCC[C@@H](CNCc2cn(C3CC3)cn2)C1 ZINC000865429042 589435349 /nfs/dbraw/zinc/43/53/49/589435349.db2.gz GTNUXMWMLJLHLI-CHWSQXEVSA-N 0 3 247.386 3.134 20 0 BGADHN C[C@@H]1CCC[C@H](CNCc2cn(C3CC3)cn2)C1 ZINC000865429043 589435209 /nfs/dbraw/zinc/43/52/09/589435209.db2.gz GTNUXMWMLJLHLI-OLZOCXBDSA-N 0 3 247.386 3.134 20 0 BGADHN C[C@H]1CCC[C@@H](CNCc2cn(C3CC3)cn2)C1 ZINC000865429044 589435272 /nfs/dbraw/zinc/43/52/72/589435272.db2.gz GTNUXMWMLJLHLI-QWHCGFSZSA-N 0 3 247.386 3.134 20 0 BGADHN C[C@H]1CCC[C@H](CNCc2cn(C3CC3)cn2)C1 ZINC000865429045 589435484 /nfs/dbraw/zinc/43/54/84/589435484.db2.gz GTNUXMWMLJLHLI-STQMWFEESA-N 0 3 247.386 3.134 20 0 BGADHN CC1CCC(CNCc2cn(C3CC3)cn2)CC1 ZINC000865429268 589435558 /nfs/dbraw/zinc/43/55/58/589435558.db2.gz OZCKEDVRMBALMH-UHFFFAOYSA-N 0 3 247.386 3.134 20 0 BGADHN C[C@@H]1CCCC[C@@H]1CNCc1cn(C2CC2)cn1 ZINC000865430042 589435299 /nfs/dbraw/zinc/43/52/99/589435299.db2.gz AOUMNPAWFOZCJB-CHWSQXEVSA-N 0 3 247.386 3.134 20 0 BGADHN C[C@@H]1CCCC[C@H]1CNCc1cn(C2CC2)cn1 ZINC000865430043 589435402 /nfs/dbraw/zinc/43/54/02/589435402.db2.gz AOUMNPAWFOZCJB-OLZOCXBDSA-N 0 3 247.386 3.134 20 0 BGADHN C[C@H]1CCCC[C@@H]1CNCc1cn(C2CC2)cn1 ZINC000865430044 589435664 /nfs/dbraw/zinc/43/56/64/589435664.db2.gz AOUMNPAWFOZCJB-QWHCGFSZSA-N 0 3 247.386 3.134 20 0 BGADHN C[C@H]1CCCC[C@H]1CNCc1cn(C2CC2)cn1 ZINC000865430045 589435493 /nfs/dbraw/zinc/43/54/93/589435493.db2.gz AOUMNPAWFOZCJB-STQMWFEESA-N 0 3 247.386 3.134 20 0 BGADHN CC[C@@H](C)[C@@H](C)NCc1cc2c(cc[nH]c2=O)o1 ZINC000865430354 589435466 /nfs/dbraw/zinc/43/54/66/589435466.db2.gz SULDCDRJDBHNDK-NXEZZACHSA-N 0 3 248.326 3.058 20 0 BGADHN CC[C@H](C)[C@H](C)NCc1cc2c(cc[nH]c2=O)o1 ZINC000865430356 589435678 /nfs/dbraw/zinc/43/56/78/589435678.db2.gz SULDCDRJDBHNDK-UWVGGRQHSA-N 0 3 248.326 3.058 20 0 BGADHN CC[C@H](C)[C@@H](C)NCc1cc2c(cc[nH]c2=O)o1 ZINC000865430357 589435414 /nfs/dbraw/zinc/43/54/14/589435414.db2.gz SULDCDRJDBHNDK-VHSXEESVSA-N 0 3 248.326 3.058 20 0 BGADHN CC[C@@H](C)[C@H](C)NCc1cc2c(cc[nH]c2=O)o1 ZINC000865430358 589435283 /nfs/dbraw/zinc/43/52/83/589435283.db2.gz SULDCDRJDBHNDK-ZJUUUORDSA-N 0 3 248.326 3.058 20 0 BGADHN C[C@@H]1CCC[C@H](C)[C@H]1NCc1cn(C2CC2)cn1 ZINC000865431736 589435265 /nfs/dbraw/zinc/43/52/65/589435265.db2.gz KLYYDABNRJTHOI-JYAVWHMHSA-N 0 3 247.386 3.132 20 0 BGADHN C[C@H]1CCC[C@H](C)C1NCc1cn(C2CC2)cn1 ZINC000865431737 589435291 /nfs/dbraw/zinc/43/52/91/589435291.db2.gz KLYYDABNRJTHOI-RYUDHWBXSA-N 0 3 247.386 3.132 20 0 BGADHN C[C@@H]1CCC[C@@H](C)C1NCc1cn(C2CC2)cn1 ZINC000865431738 589435231 /nfs/dbraw/zinc/43/52/31/589435231.db2.gz KLYYDABNRJTHOI-VXGBXAGGSA-N 0 3 247.386 3.132 20 0 BGADHN Cc1cc(CNC[C@H](C)c2cccc(F)c2)on1 ZINC000865431784 589435312 /nfs/dbraw/zinc/43/53/12/589435312.db2.gz RJTNIRHSDWSSBG-JTQLQIEISA-N 0 3 248.301 3.015 20 0 BGADHN Cc1cc(CNC[C@@H](C)c2cccc(F)c2)on1 ZINC000865431785 589435381 /nfs/dbraw/zinc/43/53/81/589435381.db2.gz RJTNIRHSDWSSBG-SNVBAGLBSA-N 0 3 248.301 3.015 20 0 BGADHN Clc1cncc(Cl)c1CNCC1CCC1 ZINC000865432182 589435640 /nfs/dbraw/zinc/43/56/40/589435640.db2.gz YDRUJTBIBZUIGM-UHFFFAOYSA-N 0 3 245.153 3.278 20 0 BGADHN C[C@@H](NCc1cnc(Cl)c(F)c1)C1(C)CC1 ZINC000865436046 589436126 /nfs/dbraw/zinc/43/61/26/589436126.db2.gz YDXKVSHZKWOFSZ-MRVPVSSYSA-N 0 3 242.725 3.152 20 0 BGADHN C[C@H](NCc1cnc(Cl)c(F)c1)C1(C)CC1 ZINC000865436047 589436147 /nfs/dbraw/zinc/43/61/47/589436147.db2.gz YDXKVSHZKWOFSZ-QMMMGPOBSA-N 0 3 242.725 3.152 20 0 BGADHN CC1(NCc2cn(C3CC3)cn2)CCCCC1 ZINC000865445560 589436767 /nfs/dbraw/zinc/43/67/67/589436767.db2.gz HRGCRNLIBOJKDS-UHFFFAOYSA-N 0 3 233.359 3.030 20 0 BGADHN CCC[C@H](CC)NCc1cc2c(cc[nH]c2=O)o1 ZINC000865449919 589436820 /nfs/dbraw/zinc/43/68/20/589436820.db2.gz HUBCQXSELNDVRC-JTQLQIEISA-N 0 3 248.326 3.202 20 0 BGADHN CCC[C@@H](CC)NCc1cc2c(cc[nH]c2=O)o1 ZINC000865449921 589436360 /nfs/dbraw/zinc/43/63/60/589436360.db2.gz HUBCQXSELNDVRC-SNVBAGLBSA-N 0 3 248.326 3.202 20 0 BGADHN CCC(CC)CNCc1cc2c(cc[nH]c2=O)o1 ZINC000865454662 589437364 /nfs/dbraw/zinc/43/73/64/589437364.db2.gz GKVSRLHBODXBHP-UHFFFAOYSA-N 0 3 248.326 3.059 20 0 BGADHN CC(C)C(C)(C)NCc1cc2c(cc[nH]c2=O)o1 ZINC000865457474 589437115 /nfs/dbraw/zinc/43/71/15/589437115.db2.gz LQXRRUQKBQPWFQ-UHFFFAOYSA-N 0 3 248.326 3.058 20 0 BGADHN CC1CCC(C)(NCc2cn(C3CC3)cn2)CC1 ZINC000865457891 589437588 /nfs/dbraw/zinc/43/75/88/589437588.db2.gz WHGAWZVDGTXCDQ-UHFFFAOYSA-N 0 3 247.386 3.276 20 0 BGADHN CCCC(C)(C)NCc1cc2c(cc[nH]c2=O)o1 ZINC000865457908 589437168 /nfs/dbraw/zinc/43/71/68/589437168.db2.gz XBDKYBWAHCLPCO-UHFFFAOYSA-N 0 3 248.326 3.202 20 0 BGADHN C[C@@H]1CC[C@H](NCc2cn(C3CC3)cn2)[C@H](C)C1 ZINC000865461324 589438153 /nfs/dbraw/zinc/43/81/53/589438153.db2.gz VTALWWUENYBLRE-JMSVASOKSA-N 0 3 247.386 3.132 20 0 BGADHN C[C@@H]1CC[C@@H](NCc2cn(C3CC3)cn2)[C@H](C)C1 ZINC000865461325 589437773 /nfs/dbraw/zinc/43/77/73/589437773.db2.gz VTALWWUENYBLRE-LALPHHSUSA-N 0 3 247.386 3.132 20 0 BGADHN C[C@@H]1CC[C@@H](NCc2cn(C3CC3)cn2)[C@@H](C)C1 ZINC000865461326 589437959 /nfs/dbraw/zinc/43/79/59/589437959.db2.gz VTALWWUENYBLRE-TYNCELHUSA-N 0 3 247.386 3.132 20 0 BGADHN C[C@@H]1CC[C@H](NCc2cn(C3CC3)cn2)[C@@H](C)C1 ZINC000865461327 589438081 /nfs/dbraw/zinc/43/80/81/589438081.db2.gz VTALWWUENYBLRE-XUJVJEKNSA-N 0 3 247.386 3.132 20 0 BGADHN CCC(C)(CC)NCc1cc2c(cc[nH]c2=O)o1 ZINC000865466860 589438484 /nfs/dbraw/zinc/43/84/84/589438484.db2.gz CHYGZGDFENWBGG-UHFFFAOYSA-N 0 3 248.326 3.202 20 0 BGADHN Fc1cc(CN[C@H]2CC=CCC2)cnc1Cl ZINC000865468221 589437861 /nfs/dbraw/zinc/43/78/61/589437861.db2.gz DZAAHTISAWPIQF-JTQLQIEISA-N 0 3 240.709 3.072 20 0 BGADHN Fc1cc(CN[C@@H]2CC=CCC2)cnc1Cl ZINC000865468222 589437730 /nfs/dbraw/zinc/43/77/30/589437730.db2.gz DZAAHTISAWPIQF-SNVBAGLBSA-N 0 3 240.709 3.072 20 0 BGADHN Fc1cc(CNCCCC2CC2)cnc1Cl ZINC000865469525 589438469 /nfs/dbraw/zinc/43/84/69/589438469.db2.gz XVKCZKOHZPNSGE-UHFFFAOYSA-N 0 3 242.725 3.154 20 0 BGADHN CC(C)(C)CCCNCc1cn(C2CC2)cn1 ZINC000865470054 589438345 /nfs/dbraw/zinc/43/83/45/589438345.db2.gz FETWKJRBSYBPJH-UHFFFAOYSA-N 0 3 235.375 3.134 20 0 BGADHN C[C@H]1C[C@H](NCc2cn(C3CC3)cn2)C[C@@H](C)C1 ZINC000865470683 589439253 /nfs/dbraw/zinc/43/92/53/589439253.db2.gz KSXZWHDZUIGNIT-ITGUQSILSA-N 0 3 247.386 3.132 20 0 BGADHN C[C@@H]1CC(NCc2cn(C3CC3)cn2)C[C@@H](C)C1 ZINC000865470685 589439024 /nfs/dbraw/zinc/43/90/24/589439024.db2.gz KSXZWHDZUIGNIT-RYUDHWBXSA-N 0 3 247.386 3.132 20 0 BGADHN C[C@H]1CC(NCc2cn(C3CC3)cn2)C[C@H](C)C1 ZINC000865470687 589439067 /nfs/dbraw/zinc/43/90/67/589439067.db2.gz KSXZWHDZUIGNIT-VXGBXAGGSA-N 0 3 247.386 3.132 20 0 BGADHN CC[C@@H]1CCC[C@@H](NCc2cn(C3CC3)cn2)C1 ZINC000865472415 589439350 /nfs/dbraw/zinc/43/93/50/589439350.db2.gz ANNJVIJQZDIGAG-CHWSQXEVSA-N 0 3 247.386 3.276 20 0 BGADHN CC[C@@H]1CCC[C@H](NCc2cn(C3CC3)cn2)C1 ZINC000865472416 589438925 /nfs/dbraw/zinc/43/89/25/589438925.db2.gz ANNJVIJQZDIGAG-OLZOCXBDSA-N 0 3 247.386 3.276 20 0 BGADHN CC[C@H]1CCC[C@@H](NCc2cn(C3CC3)cn2)C1 ZINC000865472417 589439464 /nfs/dbraw/zinc/43/94/64/589439464.db2.gz ANNJVIJQZDIGAG-QWHCGFSZSA-N 0 3 247.386 3.276 20 0 BGADHN CC[C@H]1CCC[C@H](NCc2cn(C3CC3)cn2)C1 ZINC000865472418 589438927 /nfs/dbraw/zinc/43/89/27/589438927.db2.gz ANNJVIJQZDIGAG-STQMWFEESA-N 0 3 247.386 3.276 20 0 BGADHN C[C@@H](NCc1cn(C2CC2)cn1)C1CCCCC1 ZINC000865472883 589439038 /nfs/dbraw/zinc/43/90/38/589439038.db2.gz GOVXXLVEEYWMKJ-GFCCVEGCSA-N 0 3 247.386 3.276 20 0 BGADHN C[C@H](NCc1cn(C2CC2)cn1)C1CCCCC1 ZINC000865472884 589439322 /nfs/dbraw/zinc/43/93/22/589439322.db2.gz GOVXXLVEEYWMKJ-LBPRGKRZSA-N 0 3 247.386 3.276 20 0 BGADHN CC1(C)CCC(NCc2cn(C3CC3)cn2)CC1 ZINC000865474133 589438965 /nfs/dbraw/zinc/43/89/65/589438965.db2.gz ZYKRRXYIJGZNIE-UHFFFAOYSA-N 0 3 247.386 3.276 20 0 BGADHN CCC(CC)(CC)NCc1cn(C2CC2)cn1 ZINC000865475948 589439136 /nfs/dbraw/zinc/43/91/36/589439136.db2.gz RPDCFDVJWXUFMM-UHFFFAOYSA-N 0 3 235.375 3.276 20 0 BGADHN CC[C@@H](C)C[C@H](C)NCc1cn(C2CC2)cn1 ZINC000865477778 589439781 /nfs/dbraw/zinc/43/97/81/589439781.db2.gz ZDRCIVIXWDEEDE-NEPJUHHUSA-N 0 3 235.375 3.132 20 0 BGADHN CC[C@H](C)C[C@@H](C)NCc1cn(C2CC2)cn1 ZINC000865477779 589439673 /nfs/dbraw/zinc/43/96/73/589439673.db2.gz ZDRCIVIXWDEEDE-NWDGAFQWSA-N 0 3 235.375 3.132 20 0 BGADHN CC[C@H](C)C[C@H](C)NCc1cn(C2CC2)cn1 ZINC000865477780 589440008 /nfs/dbraw/zinc/44/00/08/589440008.db2.gz ZDRCIVIXWDEEDE-RYUDHWBXSA-N 0 3 235.375 3.132 20 0 BGADHN CC[C@@H](C)C[C@@H](C)NCc1cn(C2CC2)cn1 ZINC000865477781 589439571 /nfs/dbraw/zinc/43/95/71/589439571.db2.gz ZDRCIVIXWDEEDE-VXGBXAGGSA-N 0 3 235.375 3.132 20 0 BGADHN Clc1cncc(Cl)c1CNCCC1CC1 ZINC000865478093 589439944 /nfs/dbraw/zinc/43/99/44/589439944.db2.gz RPXZSYNIYHIUBO-UHFFFAOYSA-N 0 3 245.153 3.278 20 0 BGADHN CCC1(NCc2cnc(Cl)c(F)c2)CCC1 ZINC000865480599 589440046 /nfs/dbraw/zinc/44/00/46/589440046.db2.gz GNNVPMWVFFQBPK-UHFFFAOYSA-N 0 3 242.725 3.296 20 0 BGADHN Cc1c(Cl)cccc1CNCc1ccn(C)c1 ZINC000865481213 589440168 /nfs/dbraw/zinc/44/01/68/589440168.db2.gz NKDBDIQKSUXJLZ-UHFFFAOYSA-N 0 3 248.757 3.277 20 0 BGADHN CCC1(CNCc2cnc(Cl)c(F)c2)CC1 ZINC000865483833 589440144 /nfs/dbraw/zinc/44/01/44/589440144.db2.gz AEEIEZZCDKTDAO-UHFFFAOYSA-N 0 3 242.725 3.154 20 0 BGADHN CC1(CNCc2cnc(Cl)c(F)c2)CCC1 ZINC000865484987 589440450 /nfs/dbraw/zinc/44/04/50/589440450.db2.gz NNZSLJAKXMZHGG-UHFFFAOYSA-N 0 3 242.725 3.154 20 0 BGADHN CC(C)CC(C)(C)CNCc1cn(C2CC2)cn1 ZINC000865486373 589440340 /nfs/dbraw/zinc/44/03/40/589440340.db2.gz SIRLBYBDVNGZFA-UHFFFAOYSA-N 0 3 249.402 3.380 20 0 BGADHN Fc1cc(CNCCC2CCC2)cnc1Cl ZINC000865489321 589440520 /nfs/dbraw/zinc/44/05/20/589440520.db2.gz ONIKBPJKJZYUST-UHFFFAOYSA-N 0 3 242.725 3.154 20 0 BGADHN CC1(C)CCCC[C@@H]1NCc1cn(C2CC2)cn1 ZINC000865489821 589441379 /nfs/dbraw/zinc/44/13/79/589441379.db2.gz IUHSRNXMOYEPMZ-AWEZNQCLSA-N 0 3 247.386 3.276 20 0 BGADHN CC1(C)CCCC[C@H]1NCc1cn(C2CC2)cn1 ZINC000865489822 589441081 /nfs/dbraw/zinc/44/10/81/589441081.db2.gz IUHSRNXMOYEPMZ-CQSZACIVSA-N 0 3 247.386 3.276 20 0 BGADHN CC1(CNCc2cn(C3CC3)cn2)CCCCC1 ZINC000865489924 589441047 /nfs/dbraw/zinc/44/10/47/589441047.db2.gz KAUZAUHTFJYUNV-UHFFFAOYSA-N 0 3 247.386 3.278 20 0 BGADHN CC(C)CC1(CNCc2cn(C3CC3)cn2)CC1 ZINC000865490542 589441025 /nfs/dbraw/zinc/44/10/25/589441025.db2.gz YTERBSWVKPLHRZ-UHFFFAOYSA-N 0 3 247.386 3.134 20 0 BGADHN CCCC1(CNCc2cn(C3CC3)cn2)CCC1 ZINC000865490837 589440979 /nfs/dbraw/zinc/44/09/79/589440979.db2.gz HRXGBSRALVZCGG-UHFFFAOYSA-N 0 3 247.386 3.278 20 0 BGADHN CCOc1cc(F)cc(CNC2(C3CC3)CC2)c1 ZINC000865491495 589441021 /nfs/dbraw/zinc/44/10/21/589441021.db2.gz FPBHADXLXFEHJU-UHFFFAOYSA-N 0 3 249.329 3.257 20 0 BGADHN CCC1(CNCc2cn(C3CC3)cn2)CCCC1 ZINC000865492903 589441217 /nfs/dbraw/zinc/44/12/17/589441217.db2.gz ZBNFZHDBZPPTFR-UHFFFAOYSA-N 0 3 247.386 3.278 20 0 BGADHN CC(C)C[C@H](C)NCc1cc2c(cc[nH]c2=O)o1 ZINC000865508527 589442356 /nfs/dbraw/zinc/44/23/56/589442356.db2.gz OZKMXVBXXLGXSK-JTQLQIEISA-N 0 3 248.326 3.058 20 0 BGADHN CC(C)C[C@@H](C)NCc1cc2c(cc[nH]c2=O)o1 ZINC000865508535 589442592 /nfs/dbraw/zinc/44/25/92/589442592.db2.gz OZKMXVBXXLGXSK-SNVBAGLBSA-N 0 3 248.326 3.058 20 0 BGADHN C[C@@H]1CC[C@H](NCc2cn(C3CC3)cn2)C[C@@H]1C ZINC000865527184 589443689 /nfs/dbraw/zinc/44/36/89/589443689.db2.gz IARZYFKPUSZMKS-AGIUHOORSA-N 0 3 247.386 3.132 20 0 BGADHN C[C@@H]1CC[C@@H](NCc2cn(C3CC3)cn2)C[C@@H]1C ZINC000865527185 589443389 /nfs/dbraw/zinc/44/33/89/589443389.db2.gz IARZYFKPUSZMKS-FRRDWIJNSA-N 0 3 247.386 3.132 20 0 BGADHN C[C@@H]1CC[C@@H](NCc2cn(C3CC3)cn2)C[C@H]1C ZINC000865527186 589443698 /nfs/dbraw/zinc/44/36/98/589443698.db2.gz IARZYFKPUSZMKS-JHJVBQTASA-N 0 3 247.386 3.132 20 0 BGADHN C[C@@H]1CC[C@H](NCc2cn(C3CC3)cn2)C[C@H]1C ZINC000865527187 589443506 /nfs/dbraw/zinc/44/35/06/589443506.db2.gz IARZYFKPUSZMKS-UPJWGTAASA-N 0 3 247.386 3.132 20 0 BGADHN CC1(C)CCC[C@@H](NCc2cn(C3CC3)cn2)C1 ZINC000865538694 589444594 /nfs/dbraw/zinc/44/45/94/589444594.db2.gz NEJRXGVSPXDNAX-GFCCVEGCSA-N 0 3 247.386 3.276 20 0 BGADHN CC1(C)CCC[C@H](NCc2cn(C3CC3)cn2)C1 ZINC000865538696 589444812 /nfs/dbraw/zinc/44/48/12/589444812.db2.gz NEJRXGVSPXDNAX-LBPRGKRZSA-N 0 3 247.386 3.276 20 0 BGADHN CO[C@@H](C)[C@H](C)NCc1cccc(Cl)c1C ZINC000865538883 589444557 /nfs/dbraw/zinc/44/45/57/589444557.db2.gz MBVXOCFXKGVFQH-QWRGUYRKSA-N 0 3 241.762 3.161 20 0 BGADHN CO[C@H](C)[C@H](C)NCc1cccc(Cl)c1C ZINC000865538884 589444689 /nfs/dbraw/zinc/44/46/89/589444689.db2.gz MBVXOCFXKGVFQH-WDEREUQCSA-N 0 3 241.762 3.161 20 0 BGADHN C[C@@H]1CCC[C@@H](NCc2cn(C3CC3)cn2)CC1 ZINC000865539090 589444899 /nfs/dbraw/zinc/44/48/99/589444899.db2.gz PJQNZAQJRNWHOP-CHWSQXEVSA-N 0 3 247.386 3.276 20 0 BGADHN C[C@@H]1CCC[C@H](NCc2cn(C3CC3)cn2)CC1 ZINC000865539093 589444777 /nfs/dbraw/zinc/44/47/77/589444777.db2.gz PJQNZAQJRNWHOP-OLZOCXBDSA-N 0 3 247.386 3.276 20 0 BGADHN C[C@H]1CCC[C@@H](NCc2cn(C3CC3)cn2)CC1 ZINC000865539095 589444521 /nfs/dbraw/zinc/44/45/21/589444521.db2.gz PJQNZAQJRNWHOP-QWHCGFSZSA-N 0 3 247.386 3.276 20 0 BGADHN C[C@H]1CCC[C@H](NCc2cn(C3CC3)cn2)CC1 ZINC000865539099 589444722 /nfs/dbraw/zinc/44/47/22/589444722.db2.gz PJQNZAQJRNWHOP-STQMWFEESA-N 0 3 247.386 3.276 20 0 BGADHN CC(C)C(CNCc1cn(C2CC2)cn1)C(C)C ZINC000865540326 589444698 /nfs/dbraw/zinc/44/46/98/589444698.db2.gz KXRPTMNDPXXFQD-UHFFFAOYSA-N 0 3 249.402 3.236 20 0 BGADHN CC(C)=CCCNCc1cnc(Cl)c(F)c1 ZINC000865541895 589444796 /nfs/dbraw/zinc/44/47/96/589444796.db2.gz JJCABHQSYMEONB-UHFFFAOYSA-N 0 3 242.725 3.320 20 0 BGADHN CC(C)=CCNCc1cnc2c(F)cccc2c1 ZINC000865542910 589444532 /nfs/dbraw/zinc/44/45/32/589444532.db2.gz SYOCYGDGXCBXSD-UHFFFAOYSA-N 0 3 244.313 3.430 20 0 BGADHN CCC(C)(C)CNCc1cc2c(cc[nH]c2=O)o1 ZINC000865543575 589444736 /nfs/dbraw/zinc/44/47/36/589444736.db2.gz QZJFAMUZPOLPDH-UHFFFAOYSA-N 0 3 248.326 3.059 20 0 BGADHN c1nc(CNC2CCC3(CC3)CC2)cn1C1CC1 ZINC000865544087 589445406 /nfs/dbraw/zinc/44/54/06/589445406.db2.gz JAPQDFMHIATQQS-UHFFFAOYSA-N 0 3 245.370 3.030 20 0 BGADHN CC1(CCNCc2cnc(Cl)c(F)c2)CC1 ZINC000865548046 589445423 /nfs/dbraw/zinc/44/54/23/589445423.db2.gz UGANMWZPHYMJNA-UHFFFAOYSA-N 0 3 242.725 3.154 20 0 BGADHN CO[C@H](C)[C@@H](C)NCc1cccc(Cl)c1C ZINC000865573754 589448089 /nfs/dbraw/zinc/44/80/89/589448089.db2.gz MBVXOCFXKGVFQH-GHMZBOCLSA-N 0 3 241.762 3.161 20 0 BGADHN CO[C@@H](C)[C@@H](C)NCc1cccc(Cl)c1C ZINC000865573755 589448013 /nfs/dbraw/zinc/44/80/13/589448013.db2.gz MBVXOCFXKGVFQH-MNOVXSKESA-N 0 3 241.762 3.161 20 0 BGADHN CC[C@H]1CC[C@H](NCc2cn(C3CC3)cn2)CC1 ZINC000865578427 589448306 /nfs/dbraw/zinc/44/83/06/589448306.db2.gz CQXGLTCAJBNCBV-JOCQHMNTSA-N 0 3 247.386 3.276 20 0 BGADHN CC(C)(C)C(C)(C)CNCc1cn(C2CC2)cn1 ZINC000865578489 589448417 /nfs/dbraw/zinc/44/84/17/589448417.db2.gz GYDSRAQCKRKISM-UHFFFAOYSA-N 0 3 249.402 3.380 20 0 BGADHN CCOc1cc(F)cc(CNCC[C@H](C)F)c1 ZINC000865579707 589448622 /nfs/dbraw/zinc/44/86/22/589448622.db2.gz CRJPJPNFTYAZHZ-JTQLQIEISA-N 0 3 243.297 3.062 20 0 BGADHN CCOc1cc(F)cc(CNCC[C@@H](C)F)c1 ZINC000865579708 589448756 /nfs/dbraw/zinc/44/87/56/589448756.db2.gz CRJPJPNFTYAZHZ-SNVBAGLBSA-N 0 3 243.297 3.062 20 0 BGADHN CC(C)(C)C1CC(NCc2cn(C3CC3)cn2)C1 ZINC000865580252 589448805 /nfs/dbraw/zinc/44/88/05/589448805.db2.gz YDAABEHITHNWLQ-UHFFFAOYSA-N 0 3 247.386 3.132 20 0 BGADHN CC1(C)CCC[C@@H]1CNCc1cn(C2CC2)cn1 ZINC000865581038 589448740 /nfs/dbraw/zinc/44/87/40/589448740.db2.gz IQTZVEAGULEPGF-GFCCVEGCSA-N 0 3 247.386 3.134 20 0 BGADHN CC1(C)CCC[C@H]1CNCc1cn(C2CC2)cn1 ZINC000865581039 589448360 /nfs/dbraw/zinc/44/83/60/589448360.db2.gz IQTZVEAGULEPGF-LBPRGKRZSA-N 0 3 247.386 3.134 20 0 BGADHN CC(C)(CCNCc1cn(C2CC2)cn1)C1CC1 ZINC000865581162 589448754 /nfs/dbraw/zinc/44/87/54/589448754.db2.gz QGSDRNIBLYDUIF-UHFFFAOYSA-N 0 3 247.386 3.134 20 0 BGADHN CC[C@@H]1CCC[C@@H]1CNCc1cn(C2CC2)cn1 ZINC000865585023 589449326 /nfs/dbraw/zinc/44/93/26/589449326.db2.gz AVLGMVXXXDHOPM-CHWSQXEVSA-N 0 3 247.386 3.134 20 0 BGADHN CC[C@@H]1CCC[C@H]1CNCc1cn(C2CC2)cn1 ZINC000865585024 589449218 /nfs/dbraw/zinc/44/92/18/589449218.db2.gz AVLGMVXXXDHOPM-OLZOCXBDSA-N 0 3 247.386 3.134 20 0 BGADHN CC[C@H]1CCC[C@@H]1CNCc1cn(C2CC2)cn1 ZINC000865585025 589449231 /nfs/dbraw/zinc/44/92/31/589449231.db2.gz AVLGMVXXXDHOPM-QWHCGFSZSA-N 0 3 247.386 3.134 20 0 BGADHN CC[C@H]1CCC[C@H]1CNCc1cn(C2CC2)cn1 ZINC000865585026 589449214 /nfs/dbraw/zinc/44/92/14/589449214.db2.gz AVLGMVXXXDHOPM-STQMWFEESA-N 0 3 247.386 3.134 20 0 BGADHN CCC1(NCc2cn(C3CC3)cn2)CCCC1 ZINC000865585208 589449120 /nfs/dbraw/zinc/44/91/20/589449120.db2.gz DNGTUEAQAIJNGJ-UHFFFAOYSA-N 0 3 233.359 3.030 20 0 BGADHN CC(C)=CCC[C@@H](C)NCc1cn(C2CC2)cn1 ZINC000865585717 589449050 /nfs/dbraw/zinc/44/90/50/589449050.db2.gz MNCXDBCGUWCOIW-CYBMUJFWSA-N 0 3 247.386 3.443 20 0 BGADHN CC(C)=CCC[C@H](C)NCc1cn(C2CC2)cn1 ZINC000865585718 589449054 /nfs/dbraw/zinc/44/90/54/589449054.db2.gz MNCXDBCGUWCOIW-ZDUSSCGKSA-N 0 3 247.386 3.443 20 0 BGADHN CC/C=C\CNCc1cnc2c(F)cccc2c1 ZINC000865586868 589449116 /nfs/dbraw/zinc/44/91/16/589449116.db2.gz KOJMTWVAJKZPGL-ARJAWSKDSA-N 0 3 244.313 3.430 20 0 BGADHN CC/C=C/CNCc1cnc2c(F)cccc2c1 ZINC000865586869 589449369 /nfs/dbraw/zinc/44/93/69/589449369.db2.gz KOJMTWVAJKZPGL-ONEGZZNKSA-N 0 3 244.313 3.430 20 0 BGADHN CC[C@@H]1C[C@H]1CNCc1cnc(Cl)c(F)c1 ZINC000865588336 589449380 /nfs/dbraw/zinc/44/93/80/589449380.db2.gz CIKLDQXOTHLMTN-ZJUUUORDSA-N 0 3 242.725 3.010 20 0 BGADHN c1nc(CNCC2CCCCCC2)cn1C1CC1 ZINC000865588453 589449458 /nfs/dbraw/zinc/44/94/58/589449458.db2.gz GGEIPDZHRAQSCJ-UHFFFAOYSA-N 0 3 247.386 3.278 20 0 BGADHN CCC1(NCc2cn(C3CC3)cn2)CCCCC1 ZINC000865589011 589449481 /nfs/dbraw/zinc/44/94/81/589449481.db2.gz HCQLSLNWTXSHPQ-UHFFFAOYSA-N 0 3 247.386 3.421 20 0 BGADHN CC(C)(CNCc1cn(C2CC2)cn1)C1CCC1 ZINC000865589368 584024173 /nfs/dbraw/zinc/02/41/73/584024173.db2.gz OWLPKGFEJYUGPX-UHFFFAOYSA-N 0 3 247.386 3.134 20 0 BGADHN CC[C@H](NCc1cn(C2CC2)cn1)C1CCCC1 ZINC000865594962 589449626 /nfs/dbraw/zinc/44/96/26/589449626.db2.gz WRQGMRXZZUPXMQ-HNNXBMFYSA-N 0 3 247.386 3.276 20 0 BGADHN CC[C@@H](NCc1cn(C2CC2)cn1)C1CCCC1 ZINC000865594963 589449602 /nfs/dbraw/zinc/44/96/02/589449602.db2.gz WRQGMRXZZUPXMQ-OAHLLOKOSA-N 0 3 247.386 3.276 20 0 BGADHN C[C@H](CC(C)(C)C)NCc1cn(C2CC2)cn1 ZINC000865595605 589449624 /nfs/dbraw/zinc/44/96/24/589449624.db2.gz NDESDKHKNWQPSF-LLVKDONJSA-N 0 3 235.375 3.132 20 0 BGADHN C[C@@H](CC(C)(C)C)NCc1cn(C2CC2)cn1 ZINC000865595606 589449954 /nfs/dbraw/zinc/44/99/54/589449954.db2.gz NDESDKHKNWQPSF-NSHDSACASA-N 0 3 235.375 3.132 20 0 BGADHN C[C@@H]1CCCC[C@]1(C)NCc1cn(C2CC2)cn1 ZINC000865595731 589449980 /nfs/dbraw/zinc/44/99/80/589449980.db2.gz OTNOOVMABWLDKH-DOMZBBRYSA-N 0 3 247.386 3.276 20 0 BGADHN C[C@@H]1CCCC[C@@]1(C)NCc1cn(C2CC2)cn1 ZINC000865595733 589449571 /nfs/dbraw/zinc/44/95/71/589449571.db2.gz OTNOOVMABWLDKH-IUODEOHRSA-N 0 3 247.386 3.276 20 0 BGADHN C[C@H]1CCCC[C@@]1(C)NCc1cn(C2CC2)cn1 ZINC000865595735 589449685 /nfs/dbraw/zinc/44/96/85/589449685.db2.gz OTNOOVMABWLDKH-SWLSCSKDSA-N 0 3 247.386 3.276 20 0 BGADHN C[C@H]1CCCC[C@]1(C)NCc1cn(C2CC2)cn1 ZINC000865595737 589449720 /nfs/dbraw/zinc/44/97/20/589449720.db2.gz OTNOOVMABWLDKH-WFASDCNBSA-N 0 3 247.386 3.276 20 0 BGADHN c1nc(CNC2(C3CCC3)CCC2)cn1C1CC1 ZINC000865600623 589450299 /nfs/dbraw/zinc/45/02/99/589450299.db2.gz AQMKRYJZMLSGAX-UHFFFAOYSA-N 0 3 245.370 3.030 20 0 BGADHN CC1(C)C[C@@H]1NCc1cnc2c(F)cccc2c1 ZINC000865602013 589450567 /nfs/dbraw/zinc/45/05/67/589450567.db2.gz KWAQOZWRZLWPMN-ZDUSSCGKSA-N 0 3 244.313 3.262 20 0 BGADHN CC[C@H](NCc1cn(C2CC2)cn1)[C@@H]1CC1(C)C ZINC000865605415 589450243 /nfs/dbraw/zinc/45/02/43/589450243.db2.gz VUWCPLWWNJHBGI-KBPBESRZSA-N 0 3 247.386 3.132 20 0 BGADHN CC[C@H](NCc1cn(C2CC2)cn1)[C@H]1CC1(C)C ZINC000865605416 589450410 /nfs/dbraw/zinc/45/04/10/589450410.db2.gz VUWCPLWWNJHBGI-KGLIPLIRSA-N 0 3 247.386 3.132 20 0 BGADHN CC[C@@H](NCc1cn(C2CC2)cn1)[C@@H]1CC1(C)C ZINC000865605417 589450660 /nfs/dbraw/zinc/45/06/60/589450660.db2.gz VUWCPLWWNJHBGI-UONOGXRCSA-N 0 3 247.386 3.132 20 0 BGADHN CC[C@@H](NCc1cn(C2CC2)cn1)[C@H]1CC1(C)C ZINC000865605418 589450550 /nfs/dbraw/zinc/45/05/50/589450550.db2.gz VUWCPLWWNJHBGI-ZIAGYGMSSA-N 0 3 247.386 3.132 20 0 BGADHN Cc1c(Cl)cccc1CN[C@@H]1CC12CC2 ZINC000865608796 589451209 /nfs/dbraw/zinc/45/12/09/589451209.db2.gz BCQMOYNQVJXQIE-GFCCVEGCSA-N 0 3 221.731 3.291 20 0 BGADHN Cc1c(Cl)cccc1CN[C@H]1CC12CC2 ZINC000865608800 589451198 /nfs/dbraw/zinc/45/11/98/589451198.db2.gz BCQMOYNQVJXQIE-LBPRGKRZSA-N 0 3 221.731 3.291 20 0 BGADHN Fc1cccc2cc(CN[C@@H]3CC34CC4)cnc12 ZINC000865609487 589450997 /nfs/dbraw/zinc/45/09/97/589450997.db2.gz NIFLICVVZVZHEK-CYBMUJFWSA-N 0 3 242.297 3.016 20 0 BGADHN Fc1cccc2cc(CN[C@H]3CC34CC4)cnc12 ZINC000865609488 589451170 /nfs/dbraw/zinc/45/11/70/589451170.db2.gz NIFLICVVZVZHEK-ZDUSSCGKSA-N 0 3 242.297 3.016 20 0 BGADHN C[C@@H](NCc1cc2c(cc[nH]c2=O)o1)C(C)(C)C ZINC000865615448 589451512 /nfs/dbraw/zinc/45/15/12/589451512.db2.gz KOJMFETUCOFNQU-SECBINFHSA-N 0 3 248.326 3.058 20 0 BGADHN CC1(NCc2cnc(Cl)c(F)c2)CC=CC1 ZINC000865616116 589451631 /nfs/dbraw/zinc/45/16/31/589451631.db2.gz GWEKQGCPZTUNIQ-UHFFFAOYSA-N 0 3 240.709 3.072 20 0 BGADHN CC(C)(C)C[C@@H]1C[C@H]1NCc1cn(C2CC2)cn1 ZINC000865618275 589451754 /nfs/dbraw/zinc/45/17/54/589451754.db2.gz WILFGESGIQTSCI-SMDDNHRTSA-N 0 3 247.386 3.132 20 0 BGADHN Fc1cccc2cc(CN[C@@H]3C=CCC3)cnc12 ZINC000865622542 589452133 /nfs/dbraw/zinc/45/21/33/589452133.db2.gz CEZQVHYYQRRFDS-CYBMUJFWSA-N 0 3 242.297 3.182 20 0 BGADHN Fc1cccc2cc(CN[C@H]3C=CCC3)cnc12 ZINC000865622543 589451857 /nfs/dbraw/zinc/45/18/57/589451857.db2.gz CEZQVHYYQRRFDS-ZDUSSCGKSA-N 0 3 242.297 3.182 20 0 BGADHN CCOc1cc(F)cc(CN[C@@H]2C=CCC2)c1 ZINC000865622811 589452033 /nfs/dbraw/zinc/45/20/33/589452033.db2.gz FLCZCXHOYJRXGE-CYBMUJFWSA-N 0 3 235.302 3.033 20 0 BGADHN CCOc1cc(F)cc(CN[C@H]2C=CCC2)c1 ZINC000865622812 589451835 /nfs/dbraw/zinc/45/18/35/589451835.db2.gz FLCZCXHOYJRXGE-ZDUSSCGKSA-N 0 3 235.302 3.033 20 0 BGADHN Cc1scc(CN[C@@H]2C=CCC2)c1C ZINC000865622978 589451833 /nfs/dbraw/zinc/45/18/33/589451833.db2.gz HLOIMDDPBPTLJZ-GFCCVEGCSA-N 0 3 207.342 3.173 20 0 BGADHN Cc1scc(CN[C@H]2C=CCC2)c1C ZINC000865622979 589452101 /nfs/dbraw/zinc/45/21/01/589452101.db2.gz HLOIMDDPBPTLJZ-LBPRGKRZSA-N 0 3 207.342 3.173 20 0 BGADHN CC[C@H](C)CCNCc1cc2c(cc[nH]c2=O)o1 ZINC000865623196 589451811 /nfs/dbraw/zinc/45/18/11/589451811.db2.gz LYAGDTRPWXOTBQ-JTQLQIEISA-N 0 3 248.326 3.059 20 0 BGADHN CC[C@@H](C)CCNCc1cc2c(cc[nH]c2=O)o1 ZINC000865623197 589452131 /nfs/dbraw/zinc/45/21/31/589452131.db2.gz LYAGDTRPWXOTBQ-SNVBAGLBSA-N 0 3 248.326 3.059 20 0 BGADHN CC[C@@H](C)CCNCc1cnc(Cl)c(F)c1 ZINC000865623365 589452129 /nfs/dbraw/zinc/45/21/29/589452129.db2.gz OCYXICNMHKWBPC-SECBINFHSA-N 0 3 244.741 3.400 20 0 BGADHN CC[C@H](C)CCNCc1cnc(Cl)c(F)c1 ZINC000865623367 589451941 /nfs/dbraw/zinc/45/19/41/589451941.db2.gz OCYXICNMHKWBPC-VIFPVBQESA-N 0 3 244.741 3.400 20 0 BGADHN CCC(C)(C)[C@@H](C)NCc1cn(C2CC2)cn1 ZINC000865624769 589451964 /nfs/dbraw/zinc/45/19/64/589451964.db2.gz YZMQYSHDSABBEM-LLVKDONJSA-N 0 3 235.375 3.132 20 0 BGADHN CCC(C)(C)[C@H](C)NCc1cn(C2CC2)cn1 ZINC000865624770 589452265 /nfs/dbraw/zinc/45/22/65/589452265.db2.gz YZMQYSHDSABBEM-NSHDSACASA-N 0 3 235.375 3.132 20 0 BGADHN CC(C)(F)CCNCc1cnc(Cl)c(F)c1 ZINC000865626503 589452746 /nfs/dbraw/zinc/45/27/46/589452746.db2.gz SQVXVCPYDSTIGB-UHFFFAOYSA-N 0 3 248.704 3.102 20 0 BGADHN CCOc1cc(F)cc(CN[C@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000865630578 589452830 /nfs/dbraw/zinc/45/28/30/589452830.db2.gz DQHDNDSMCMUZOL-FICVDOATSA-N 0 3 249.329 3.113 20 0 BGADHN CCOc1cc(F)cc(CN[C@@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000865630579 589452445 /nfs/dbraw/zinc/45/24/45/589452445.db2.gz DQHDNDSMCMUZOL-QDMKHBRRSA-N 0 3 249.329 3.113 20 0 BGADHN Fc1cc(CNCC2=CCCC2)cnc1Cl ZINC000865631855 589452517 /nfs/dbraw/zinc/45/25/17/589452517.db2.gz JQKYSSPOUPFYBM-UHFFFAOYSA-N 0 3 240.709 3.074 20 0 BGADHN CC1(C)C[C@@]1(C)NCc1cnc(Cl)c(F)c1 ZINC000865632404 589452528 /nfs/dbraw/zinc/45/25/28/589452528.db2.gz PBJXWFBAWPLAPT-GFCCVEGCSA-N 0 3 242.725 3.152 20 0 BGADHN CC1(C)C[C@]1(C)NCc1cnc(Cl)c(F)c1 ZINC000865632406 589452685 /nfs/dbraw/zinc/45/26/85/589452685.db2.gz PBJXWFBAWPLAPT-LBPRGKRZSA-N 0 3 242.725 3.152 20 0 BGADHN CC1(C)CC(NCc2cnc(Cl)c(F)c2)C1 ZINC000865633425 589453328 /nfs/dbraw/zinc/45/33/28/589453328.db2.gz DMPDBCVPNOBURN-UHFFFAOYSA-N 0 3 242.725 3.152 20 0 BGADHN c1nc(CNCC[C@@H]2CC=CCC2)cn1C1CC1 ZINC000865642281 589453516 /nfs/dbraw/zinc/45/35/16/589453516.db2.gz UVGQECXUTSWNHK-CYBMUJFWSA-N 0 3 245.370 3.054 20 0 BGADHN c1nc(CNCC[C@H]2CC=CCC2)cn1C1CC1 ZINC000865642282 589453787 /nfs/dbraw/zinc/45/37/87/589453787.db2.gz UVGQECXUTSWNHK-ZDUSSCGKSA-N 0 3 245.370 3.054 20 0 BGADHN CC(C)(F)CNCc1cncc2ccccc21 ZINC000865652471 584026404 /nfs/dbraw/zinc/02/64/04/584026404.db2.gz CVGZIQFAUJXGAM-UHFFFAOYSA-N 0 3 232.302 3.073 20 0 BGADHN CC(C)(F)CNCc1cnc2ccccc2c1 ZINC000865654356 589454486 /nfs/dbraw/zinc/45/44/86/589454486.db2.gz OEBWXJJVOJGTTP-UHFFFAOYSA-N 0 3 232.302 3.073 20 0 BGADHN CCC(C)(C)CCNCc1cn(C2CC2)cn1 ZINC000865679177 589455805 /nfs/dbraw/zinc/45/58/05/589455805.db2.gz LPHJYCFSIKYMBB-UHFFFAOYSA-N 0 3 235.375 3.134 20 0 BGADHN Cc1sccc1CN[C@@H]1CCCC[C@@H]1F ZINC000865696785 589456720 /nfs/dbraw/zinc/45/67/20/589456720.db2.gz KJVCLORHQTYODO-NWDGAFQWSA-N 0 3 227.348 3.427 20 0 BGADHN Cc1ccsc1CN[C@@H]1CCCC[C@@H]1F ZINC000865698695 589457033 /nfs/dbraw/zinc/45/70/33/589457033.db2.gz FQTGGSNZEPRJBP-WDEREUQCSA-N 0 3 227.348 3.427 20 0 BGADHN F[C@@H]1CCCC[C@@H]1NCc1cccs1 ZINC000865699000 589457076 /nfs/dbraw/zinc/45/70/76/589457076.db2.gz KCXPMCAMJJIUNX-MNOVXSKESA-N 0 3 213.321 3.118 20 0 BGADHN COc1ccc(CN[C@@H]2CCCC[C@@H]2F)cc1 ZINC000865699040 589457100 /nfs/dbraw/zinc/45/71/00/589457100.db2.gz KSFBFKFIYZDUAB-UONOGXRCSA-N 0 3 237.318 3.066 20 0 BGADHN Cc1nc(C)c(CN[C@@H]2CCCC[C@@H]2F)s1 ZINC000865699047 589457262 /nfs/dbraw/zinc/45/72/62/589457262.db2.gz KXWDYZZDAFZCNF-WDEREUQCSA-N 0 3 242.363 3.130 20 0 BGADHN F[C@@H]1CCCC[C@@H]1NCc1ccsc1 ZINC000865699260 589457269 /nfs/dbraw/zinc/45/72/69/589457269.db2.gz NAIRSPRJKTXEMJ-MNOVXSKESA-N 0 3 213.321 3.118 20 0 BGADHN COc1cccc(CN[C@@H]2CCCC[C@@H]2F)c1 ZINC000865699640 589457066 /nfs/dbraw/zinc/45/70/66/589457066.db2.gz XTDUIHSAOQVRAA-UONOGXRCSA-N 0 3 237.318 3.066 20 0 BGADHN Cc1cc(CN[C@@]23C[C@@H]2CCCC3)c(C)o1 ZINC000865703848 589457499 /nfs/dbraw/zinc/45/74/99/589457499.db2.gz MMIPTJZTWYJXNG-KBPBESRZSA-N 0 3 219.328 3.319 20 0 BGADHN Cc1cc(CN[C@]23C[C@H]2CCCC3)c(C)o1 ZINC000865703851 584026968 /nfs/dbraw/zinc/02/69/68/584026968.db2.gz MMIPTJZTWYJXNG-ZIAGYGMSSA-N 0 3 219.328 3.319 20 0 BGADHN Clc1ncccc1CN[C@@]12C[C@@H]1CCCC2 ZINC000865704428 584026823 /nfs/dbraw/zinc/02/68/23/584026823.db2.gz UXPCFLGNIIRAHD-AAEUAGOBSA-N 0 3 236.746 3.157 20 0 BGADHN Clc1ncccc1CN[C@]12C[C@H]1CCCC2 ZINC000865704435 584026892 /nfs/dbraw/zinc/02/68/92/584026892.db2.gz UXPCFLGNIIRAHD-DGCLKSJQSA-N 0 3 236.746 3.157 20 0 BGADHN Clc1ccc(CN[C@@]23C[C@@H]2CCCC3)cn1 ZINC000865704625 589457425 /nfs/dbraw/zinc/45/74/25/589457425.db2.gz WZMHREYABLHTGZ-AAEUAGOBSA-N 0 3 236.746 3.157 20 0 BGADHN Clc1ccc(CN[C@]23C[C@H]2CCCC3)cn1 ZINC000865704626 589457518 /nfs/dbraw/zinc/45/75/18/589457518.db2.gz WZMHREYABLHTGZ-DGCLKSJQSA-N 0 3 236.746 3.157 20 0 BGADHN C[C@H](NCc1ccncc1F)[C@@]12C[C@@H]1CCCC2 ZINC000865704693 589457455 /nfs/dbraw/zinc/45/74/55/589457455.db2.gz XXUKOBGLMXIOMU-CORIIIEPSA-N 0 3 248.345 3.279 20 0 BGADHN C[C@H](NCc1ccncc1F)[C@]12C[C@H]1CCCC2 ZINC000865704694 589457572 /nfs/dbraw/zinc/45/75/72/589457572.db2.gz XXUKOBGLMXIOMU-LNSITVRQSA-N 0 3 248.345 3.279 20 0 BGADHN Cc1ccc(CNCc2ccnc(F)c2)cc1C ZINC000865722070 589458538 /nfs/dbraw/zinc/45/85/38/589458538.db2.gz NDWGWBSWNDRUPG-UHFFFAOYSA-N 0 3 244.313 3.127 20 0 BGADHN Fc1cnccc1CNCC1CCC2(CC2)CC1 ZINC000865722095 589458466 /nfs/dbraw/zinc/45/84/66/589458466.db2.gz OMHKDXDEMXLZSR-UHFFFAOYSA-N 0 3 248.345 3.281 20 0 BGADHN CCc1nocc1CNCC1CCC2(CC2)CC1 ZINC000865722213 589458698 /nfs/dbraw/zinc/45/86/98/589458698.db2.gz PPOFOJWZCYLFSE-UHFFFAOYSA-N 0 3 248.370 3.297 20 0 BGADHN Cc1ccc(C)c(CNCc2ccnc(F)c2)c1 ZINC000865722220 589458671 /nfs/dbraw/zinc/45/86/71/589458671.db2.gz PWTLWBIUTROPDD-UHFFFAOYSA-N 0 3 244.313 3.127 20 0 BGADHN Cc1cccc(CNCc2ccnc(F)c2)c1C ZINC000865722515 589458354 /nfs/dbraw/zinc/45/83/54/589458354.db2.gz YYDOWPSQZQHXBV-UHFFFAOYSA-N 0 3 244.313 3.127 20 0 BGADHN Cc1cc(CNCC[C@H]2CCCS2)c(C)o1 ZINC000865724689 589458418 /nfs/dbraw/zinc/45/84/18/589458418.db2.gz CYVOWSLUYXOVPP-CYBMUJFWSA-N 0 3 239.384 3.272 20 0 BGADHN Cc1cc(CNCC[C@@H]2CCCS2)c(C)o1 ZINC000865724690 589458619 /nfs/dbraw/zinc/45/86/19/589458619.db2.gz CYVOWSLUYXOVPP-ZDUSSCGKSA-N 0 3 239.384 3.272 20 0 BGADHN c1cc(CNCC2([C@@H]3CCCCO3)CCC2)co1 ZINC000865726785 589458866 /nfs/dbraw/zinc/45/88/66/589458866.db2.gz UDZOXILNACULQU-AWEZNQCLSA-N 0 3 249.354 3.109 20 0 BGADHN c1cc(CNCC2([C@H]3CCCCO3)CCC2)co1 ZINC000865726786 589458975 /nfs/dbraw/zinc/45/89/75/589458975.db2.gz UDZOXILNACULQU-CQSZACIVSA-N 0 3 249.354 3.109 20 0 BGADHN CS[C@H]1C[C@H](NCc2sccc2Cl)C1 ZINC000865733023 589458847 /nfs/dbraw/zinc/45/88/47/589458847.db2.gz AUIFFYMLTOCFRX-ZKCHVHJHSA-N 0 3 247.816 3.385 20 0 BGADHN CS[C@H]1C[C@H](NCc2cc(Cl)cs2)C1 ZINC000865733502 589459115 /nfs/dbraw/zinc/45/91/15/589459115.db2.gz KSAABNKYXKCHRG-KYZUINATSA-N 0 3 247.816 3.385 20 0 BGADHN CS[C@H]1C[C@H](N[C@@H](C)c2ccccc2F)C1 ZINC000865733581 589459240 /nfs/dbraw/zinc/45/92/40/589459240.db2.gz MBPSTOMSNKDAQO-DCAQKATOSA-N 0 3 239.359 3.370 20 0 BGADHN CS[C@H]1C[C@H](N[C@H](C)c2ccccc2F)C1 ZINC000865733582 589459224 /nfs/dbraw/zinc/45/92/24/589459224.db2.gz MBPSTOMSNKDAQO-GMTAPVOTSA-N 0 3 239.359 3.370 20 0 BGADHN CS[C@H]1C[C@H](NCc2coc3ccccc23)C1 ZINC000865733923 589459088 /nfs/dbraw/zinc/45/90/88/589459088.db2.gz ANROQMQKSIAEPV-HAQNSBGRSA-N 0 3 247.363 3.416 20 0 BGADHN CS[C@H]1C[C@H](NCc2cscc2Cl)C1 ZINC000865733952 589459046 /nfs/dbraw/zinc/45/90/46/589459046.db2.gz BUKBRYXEEYYFEY-KYZUINATSA-N 0 3 247.816 3.385 20 0 BGADHN CS[C@H]1C[C@H](NCc2ccc(Cl)s2)C1 ZINC000865734297 589458071 /nfs/dbraw/zinc/45/80/71/589458071.db2.gz RNZPRHMNOWOIGF-XWEPSHTISA-N 0 3 247.816 3.385 20 0 BGADHN CS[C@H]1C[C@H](NCc2ccsc2Cl)C1 ZINC000865734344 589459014 /nfs/dbraw/zinc/45/90/14/589459014.db2.gz UEQIFGRJBAEDDV-KYZUINATSA-N 0 3 247.816 3.385 20 0 BGADHN CS[C@H]1C[C@H](NCc2cc3ccccc3o2)C1 ZINC000865735007 589459338 /nfs/dbraw/zinc/45/93/38/589459338.db2.gz ZSAVAHQDMHSPFI-AULYBMBSSA-N 0 3 247.363 3.416 20 0 BGADHN Cc1occc1CNC(C)(C)[C@H]1CCCCO1 ZINC000865744307 589460526 /nfs/dbraw/zinc/46/05/26/589460526.db2.gz SCKPPQALPINCBV-CYBMUJFWSA-N 0 3 237.343 3.025 20 0 BGADHN Cc1occc1CNC(C)(C)[C@@H]1CCCCO1 ZINC000865744308 589460495 /nfs/dbraw/zinc/46/04/95/589460495.db2.gz SCKPPQALPINCBV-ZDUSSCGKSA-N 0 3 237.343 3.025 20 0 BGADHN Cc1ccc(CNC(C)(C)[C@H]2CCCCO2)o1 ZINC000865746814 589460694 /nfs/dbraw/zinc/46/06/94/589460694.db2.gz PROIWOAPJARSSZ-CYBMUJFWSA-N 0 3 237.343 3.025 20 0 BGADHN Cc1ccc(CNC(C)(C)[C@@H]2CCCCO2)o1 ZINC000865746816 589460615 /nfs/dbraw/zinc/46/06/15/589460615.db2.gz PROIWOAPJARSSZ-ZDUSSCGKSA-N 0 3 237.343 3.025 20 0 BGADHN CC(C)(NCc1ccsc1)[C@H]1CCCCO1 ZINC000865747231 589460771 /nfs/dbraw/zinc/46/07/71/589460771.db2.gz TVOXIYLKPUKQBJ-GFCCVEGCSA-N 0 3 239.384 3.185 20 0 BGADHN CC(C)(NCc1ccsc1)[C@@H]1CCCCO1 ZINC000865747233 589460852 /nfs/dbraw/zinc/46/08/52/589460852.db2.gz TVOXIYLKPUKQBJ-LBPRGKRZSA-N 0 3 239.384 3.185 20 0 BGADHN Cc1ccoc1CNC(C)(C)[C@H]1CCCCO1 ZINC000865747247 589460661 /nfs/dbraw/zinc/46/06/61/589460661.db2.gz TXVHKRYPUGFTAO-CYBMUJFWSA-N 0 3 237.343 3.025 20 0 BGADHN Cc1ccoc1CNC(C)(C)[C@@H]1CCCCO1 ZINC000865747248 589460602 /nfs/dbraw/zinc/46/06/02/589460602.db2.gz TXVHKRYPUGFTAO-ZDUSSCGKSA-N 0 3 237.343 3.025 20 0 BGADHN COC(C)(C)CCNCc1cscc1Cl ZINC000865754012 589460910 /nfs/dbraw/zinc/46/09/10/589460910.db2.gz CHIZVCZSWUVERC-UHFFFAOYSA-N 0 3 247.791 3.306 20 0 BGADHN CCC(CC)(CNCC1(F)CC1)C(F)(F)F ZINC000865756111 589460943 /nfs/dbraw/zinc/46/09/43/589460943.db2.gz DITFKRGVXZTZIU-UHFFFAOYSA-N 0 3 241.272 3.447 20 0 BGADHN CCC(CC)(CNCc1cc[nH]c1)C(F)(F)F ZINC000865756603 589461312 /nfs/dbraw/zinc/46/13/12/589461312.db2.gz UWOSTRLLWMBTJJ-UHFFFAOYSA-N 0 3 248.292 3.473 20 0 BGADHN C[C@@H]1CCC[C@H]1NCc1noc2ccc(F)cc12 ZINC000865760242 589461291 /nfs/dbraw/zinc/46/12/91/589461291.db2.gz DMSMWEATLUKPRW-BXKDBHETSA-N 0 3 248.301 3.245 20 0 BGADHN C[C@H]1CCC[C@@H]1NCc1noc2ccc(F)cc12 ZINC000865760243 589461378 /nfs/dbraw/zinc/46/13/78/589461378.db2.gz DMSMWEATLUKPRW-CABZTGNLSA-N 0 3 248.301 3.245 20 0 BGADHN C[C@H]1CCC[C@H]1NCc1noc2ccc(F)cc12 ZINC000865760244 589461301 /nfs/dbraw/zinc/46/13/01/589461301.db2.gz DMSMWEATLUKPRW-JOYOIKCWSA-N 0 3 248.301 3.245 20 0 BGADHN C[C@@H]1CCC[C@@H]1NCc1noc2ccc(F)cc12 ZINC000865760245 589461356 /nfs/dbraw/zinc/46/13/56/589461356.db2.gz DMSMWEATLUKPRW-SKDRFNHKSA-N 0 3 248.301 3.245 20 0 BGADHN C[C@H]1CC[C@@H](NCc2noc3ccc(F)cc23)C1 ZINC000865760572 589461306 /nfs/dbraw/zinc/46/13/06/589461306.db2.gz KZKITXXPRXUOKM-GXSJLCMTSA-N 0 3 248.301 3.245 20 0 BGADHN C[C@@H]1CC[C@H](NCc2noc3ccc(F)cc23)C1 ZINC000865760573 589461182 /nfs/dbraw/zinc/46/11/82/589461182.db2.gz KZKITXXPRXUOKM-KOLCDFICSA-N 0 3 248.301 3.245 20 0 BGADHN C[C@@H]1CC[C@@H](NCc2noc3ccc(F)cc23)C1 ZINC000865760574 589461203 /nfs/dbraw/zinc/46/12/03/589461203.db2.gz KZKITXXPRXUOKM-MWLCHTKSSA-N 0 3 248.301 3.245 20 0 BGADHN C[C@H]1CC[C@H](NCc2noc3ccc(F)cc23)C1 ZINC000865760575 589461218 /nfs/dbraw/zinc/46/12/18/589461218.db2.gz KZKITXXPRXUOKM-ONGXEEELSA-N 0 3 248.301 3.245 20 0 BGADHN CC1(CNCc2noc3ccc(F)cc23)CCC1 ZINC000865760873 589461360 /nfs/dbraw/zinc/46/13/60/589461360.db2.gz HUDZUPDTOPWSAL-UHFFFAOYSA-N 0 3 248.301 3.247 20 0 BGADHN Fc1ccc2onc(CNC3CCCCC3)c2c1 ZINC000865760988 589461197 /nfs/dbraw/zinc/46/11/97/589461197.db2.gz QEMRHZWYMFWGOV-UHFFFAOYSA-N 0 3 248.301 3.389 20 0 BGADHN CC(C)(C)CNCc1noc2ccc(F)cc12 ZINC000865761639 589461368 /nfs/dbraw/zinc/46/13/68/589461368.db2.gz YRNLLBDRTKYSHD-UHFFFAOYSA-N 0 3 236.290 3.103 20 0 BGADHN CC[C@@H](C)CNCc1noc2ccc(F)cc12 ZINC000865762205 589461253 /nfs/dbraw/zinc/46/12/53/589461253.db2.gz XXFFXESGIHFBRZ-SECBINFHSA-N 0 3 236.290 3.103 20 0 BGADHN CC[C@H](C)CNCc1noc2ccc(F)cc12 ZINC000865762206 589461216 /nfs/dbraw/zinc/46/12/16/589461216.db2.gz XXFFXESGIHFBRZ-VIFPVBQESA-N 0 3 236.290 3.103 20 0 BGADHN c1nc(C2CC2)ncc1CNCCCCC1CC1 ZINC000865786619 589461882 /nfs/dbraw/zinc/46/18/82/589461882.db2.gz PTZAMXYSTRMUIT-UHFFFAOYSA-N 0 3 245.370 3.024 20 0 BGADHN Clc1ncccc1CNCCCCC1CC1 ZINC000865786731 589461944 /nfs/dbraw/zinc/46/19/44/589461944.db2.gz UIKBOULHKJAMFQ-UHFFFAOYSA-N 0 3 238.762 3.405 20 0 BGADHN CCc1nocc1CNCC(C)(C)C(C)(F)F ZINC000865789526 589462121 /nfs/dbraw/zinc/46/21/21/589462121.db2.gz GLEZHFADXFXGCB-UHFFFAOYSA-N 0 3 246.301 3.008 20 0 BGADHN CC(C)(C)c1ccc(CNCC2CC2)o1 ZINC000865814625 589462836 /nfs/dbraw/zinc/46/28/36/589462836.db2.gz MTCVGAAPFHYKBO-UHFFFAOYSA-N 0 3 207.317 3.077 20 0 BGADHN FC(F)(F)[C@@H]1CC=CC[C@H]1NCc1ccco1 ZINC000865831981 589463741 /nfs/dbraw/zinc/46/37/41/589463741.db2.gz FLGMFTJAUZGWKC-GHMZBOCLSA-N 0 3 245.244 3.266 20 0 BGADHN FC(F)(F)[C@@H]1CC=CC[C@H]1NCc1cc[nH]c1 ZINC000865832405 589463828 /nfs/dbraw/zinc/46/38/28/589463828.db2.gz OZQFDHNNVZKPFK-GHMZBOCLSA-N 0 3 244.260 3.001 20 0 BGADHN FC(F)(F)[C@@H]1CC=CC[C@H]1NCc1ccoc1 ZINC000865832597 589463972 /nfs/dbraw/zinc/46/39/72/589463972.db2.gz SEGDLYGTIOIRTH-GHMZBOCLSA-N 0 3 245.244 3.266 20 0 BGADHN CN1CCC(Nc2ccc(C3CC3)cc2F)CC1 ZINC000865833705 589463862 /nfs/dbraw/zinc/46/38/62/589463862.db2.gz ADIFAMDOISJFNW-UHFFFAOYSA-N 0 3 248.345 3.209 20 0 BGADHN Fc1ccc2c(c1)onc2CNC1CCCCC1 ZINC000865835891 589463917 /nfs/dbraw/zinc/46/39/17/589463917.db2.gz IPJNKHHOKHVJNL-UHFFFAOYSA-N 0 3 248.301 3.389 20 0 BGADHN C[C@@H]1CCC[C@H]1NCc1noc2cc(F)ccc12 ZINC000865836502 589464059 /nfs/dbraw/zinc/46/40/59/589464059.db2.gz HVIZOYXCGLOREJ-BXKDBHETSA-N 0 3 248.301 3.245 20 0 BGADHN C[C@H]1CCC[C@@H]1NCc1noc2cc(F)ccc12 ZINC000865836503 589464213 /nfs/dbraw/zinc/46/42/13/589464213.db2.gz HVIZOYXCGLOREJ-CABZTGNLSA-N 0 3 248.301 3.245 20 0 BGADHN C[C@H]1CCC[C@H]1NCc1noc2cc(F)ccc12 ZINC000865836504 589464022 /nfs/dbraw/zinc/46/40/22/589464022.db2.gz HVIZOYXCGLOREJ-JOYOIKCWSA-N 0 3 248.301 3.245 20 0 BGADHN C[C@@H]1CCC[C@@H]1NCc1noc2cc(F)ccc12 ZINC000865836505 589464170 /nfs/dbraw/zinc/46/41/70/589464170.db2.gz HVIZOYXCGLOREJ-SKDRFNHKSA-N 0 3 248.301 3.245 20 0 BGADHN CC[C@@H](C)CNCc1noc2cc(F)ccc12 ZINC000865836526 589464031 /nfs/dbraw/zinc/46/40/31/589464031.db2.gz IQERVKUZFLCTJQ-SECBINFHSA-N 0 3 236.290 3.103 20 0 BGADHN CC[C@H](C)CNCc1noc2cc(F)ccc12 ZINC000865836527 589464161 /nfs/dbraw/zinc/46/41/61/589464161.db2.gz IQERVKUZFLCTJQ-VIFPVBQESA-N 0 3 236.290 3.103 20 0 BGADHN C[C@H]1CC[C@@H](NCc2noc3cc(F)ccc23)C1 ZINC000865836689 589464092 /nfs/dbraw/zinc/46/40/92/589464092.db2.gz OYBVCBOUKKMNOE-GXSJLCMTSA-N 0 3 248.301 3.245 20 0 BGADHN C[C@@H]1CC[C@H](NCc2noc3cc(F)ccc23)C1 ZINC000865836690 589464009 /nfs/dbraw/zinc/46/40/09/589464009.db2.gz OYBVCBOUKKMNOE-KOLCDFICSA-N 0 3 248.301 3.245 20 0 BGADHN C[C@@H]1CC[C@@H](NCc2noc3cc(F)ccc23)C1 ZINC000865836691 589464070 /nfs/dbraw/zinc/46/40/70/589464070.db2.gz OYBVCBOUKKMNOE-MWLCHTKSSA-N 0 3 248.301 3.245 20 0 BGADHN C[C@H]1CC[C@H](NCc2noc3cc(F)ccc23)C1 ZINC000865836692 589464226 /nfs/dbraw/zinc/46/42/26/589464226.db2.gz OYBVCBOUKKMNOE-ONGXEEELSA-N 0 3 248.301 3.245 20 0 BGADHN CC(C)(C)CNCc1noc2cc(F)ccc12 ZINC000865836843 589464115 /nfs/dbraw/zinc/46/41/15/589464115.db2.gz VCSFKCLLYKRQTN-UHFFFAOYSA-N 0 3 236.290 3.103 20 0 BGADHN CC1(CNCc2noc3cc(F)ccc23)CCC1 ZINC000865836885 589464083 /nfs/dbraw/zinc/46/40/83/589464083.db2.gz WQUZWZUYOQDBDY-UHFFFAOYSA-N 0 3 248.301 3.247 20 0 BGADHN Cc1ccc(CNC2([C@@H]3CCCCO3)CCC2)o1 ZINC000865856297 589465378 /nfs/dbraw/zinc/46/53/78/589465378.db2.gz FRAZLWOEFPOXKI-AWEZNQCLSA-N 0 3 249.354 3.169 20 0 BGADHN Cc1ccc(CNC2([C@H]3CCCCO3)CCC2)o1 ZINC000865856298 589465213 /nfs/dbraw/zinc/46/52/13/589465213.db2.gz FRAZLWOEFPOXKI-CQSZACIVSA-N 0 3 249.354 3.169 20 0 BGADHN Cc1occc1CNC1([C@@H]2CCCCO2)CCC1 ZINC000865856924 589465245 /nfs/dbraw/zinc/46/52/45/589465245.db2.gz LSVOAJVDHMRXQD-AWEZNQCLSA-N 0 3 249.354 3.169 20 0 BGADHN Cc1occc1CNC1([C@H]2CCCCO2)CCC1 ZINC000865856926 589465221 /nfs/dbraw/zinc/46/52/21/589465221.db2.gz LSVOAJVDHMRXQD-CQSZACIVSA-N 0 3 249.354 3.169 20 0 BGADHN Cc1ccoc1CNC1([C@@H]2CCCCO2)CCC1 ZINC000865857671 589465439 /nfs/dbraw/zinc/46/54/39/589465439.db2.gz VTMLSOQHVWXWNO-AWEZNQCLSA-N 0 3 249.354 3.169 20 0 BGADHN Cc1ccoc1CNC1([C@H]2CCCCO2)CCC1 ZINC000865857672 589465316 /nfs/dbraw/zinc/46/53/16/589465316.db2.gz VTMLSOQHVWXWNO-CQSZACIVSA-N 0 3 249.354 3.169 20 0 BGADHN CC[C@H](C[C@@H](C)O)NCc1cscc1Cl ZINC000865872814 589466340 /nfs/dbraw/zinc/46/63/40/589466340.db2.gz ONKZKOOTPFRRGE-PSASIEDQSA-N 0 3 247.791 3.041 20 0 BGADHN CC[C@@H](C[C@@H](C)O)NCc1cscc1Cl ZINC000865872815 589466441 /nfs/dbraw/zinc/46/64/41/589466441.db2.gz ONKZKOOTPFRRGE-SCZZXKLOSA-N 0 3 247.791 3.041 20 0 BGADHN CC[C@H](C[C@H](C)O)NCc1cscc1Cl ZINC000865872816 589466519 /nfs/dbraw/zinc/46/65/19/589466519.db2.gz ONKZKOOTPFRRGE-WCBMZHEXSA-N 0 3 247.791 3.041 20 0 BGADHN CC[C@@H](C[C@H](C)O)NCc1cscc1Cl ZINC000865872817 589466448 /nfs/dbraw/zinc/46/64/48/589466448.db2.gz ONKZKOOTPFRRGE-WPRPVWTQSA-N 0 3 247.791 3.041 20 0 BGADHN CCc1cc(N2C[C@@H]3CC=CC[C@@H]3C2)ccn1 ZINC000866162056 589478544 /nfs/dbraw/zinc/47/85/44/589478544.db2.gz HTFASPJZXSRTPJ-BETUJISGSA-N 0 3 228.339 3.046 20 0 BGADHN C[C@@H](NC1CC1)c1cc2c(ccnc2Cl)o1 ZINC000866213540 589480934 /nfs/dbraw/zinc/48/09/34/589480934.db2.gz RXQLCNULIMNSQM-SSDOTTSWSA-N 0 3 236.702 3.294 20 0 BGADHN C[C@H](NC1CC1)c1cc2c(ccnc2Cl)o1 ZINC000866213541 589480865 /nfs/dbraw/zinc/48/08/65/589480865.db2.gz RXQLCNULIMNSQM-ZETCQYMHSA-N 0 3 236.702 3.294 20 0 BGADHN CC(C)[C@H](NCCc1ccco1)c1ccccn1 ZINC000866215406 589481093 /nfs/dbraw/zinc/48/10/93/589481093.db2.gz JZIHOFJIEVTYNC-HNNXBMFYSA-N 0 3 244.338 3.204 20 0 BGADHN CC(C)[C@@H](NCCc1ccco1)c1ccccn1 ZINC000866215407 589481084 /nfs/dbraw/zinc/48/10/84/589481084.db2.gz JZIHOFJIEVTYNC-OAHLLOKOSA-N 0 3 244.338 3.204 20 0 BGADHN Cc1cccc(C[C@@H](C)NCc2nccs2)c1 ZINC000866236876 589482133 /nfs/dbraw/zinc/48/21/33/589482133.db2.gz DTGIPKFVAWYAFY-GFCCVEGCSA-N 0 3 246.379 3.172 20 0 BGADHN Cc1cccc(C[C@H](C)NCc2nccs2)c1 ZINC000866236877 589482247 /nfs/dbraw/zinc/48/22/47/589482247.db2.gz DTGIPKFVAWYAFY-LBPRGKRZSA-N 0 3 246.379 3.172 20 0 BGADHN Cc1cccc(C[C@@H](C)NCc2cscn2)c1 ZINC000866251070 589482811 /nfs/dbraw/zinc/48/28/11/589482811.db2.gz MZLXUKFEXLWEKR-GFCCVEGCSA-N 0 3 246.379 3.172 20 0 BGADHN Cc1cccc(C[C@H](C)NCc2cscn2)c1 ZINC000866251071 589482809 /nfs/dbraw/zinc/48/28/09/589482809.db2.gz MZLXUKFEXLWEKR-LBPRGKRZSA-N 0 3 246.379 3.172 20 0 BGADHN Cc1cc(CN[C@H](C)Cc2cccc(C)c2)on1 ZINC000866261490 589483416 /nfs/dbraw/zinc/48/34/16/589483416.db2.gz UBWMXBDZBGZUSB-GFCCVEGCSA-N 0 3 244.338 3.012 20 0 BGADHN Cc1cc(CN[C@@H](C)Cc2cccc(C)c2)on1 ZINC000866261492 589483558 /nfs/dbraw/zinc/48/35/58/589483558.db2.gz UBWMXBDZBGZUSB-LBPRGKRZSA-N 0 3 244.338 3.012 20 0 BGADHN CSC[C@H](C)N[C@H](c1ccccn1)C(C)C ZINC000866270557 589483987 /nfs/dbraw/zinc/48/39/87/589483987.db2.gz YPYWISGQHNRULH-AAEUAGOBSA-N 0 3 238.400 3.120 20 0 BGADHN CSC[C@@H](C)N[C@@H](c1ccccn1)C(C)C ZINC000866270558 589483941 /nfs/dbraw/zinc/48/39/41/589483941.db2.gz YPYWISGQHNRULH-DGCLKSJQSA-N 0 3 238.400 3.120 20 0 BGADHN CSC[C@H](C)N[C@@H](c1ccccn1)C(C)C ZINC000866270559 589483850 /nfs/dbraw/zinc/48/38/50/589483850.db2.gz YPYWISGQHNRULH-WCQYABFASA-N 0 3 238.400 3.120 20 0 BGADHN CSC[C@@H](C)N[C@H](c1ccccn1)C(C)C ZINC000866270560 589483856 /nfs/dbraw/zinc/48/38/56/589483856.db2.gz YPYWISGQHNRULH-YPMHNXCESA-N 0 3 238.400 3.120 20 0 BGADHN CS[C@@H](C)CN[C@H](c1ccccn1)C(C)C ZINC000866310469 589485823 /nfs/dbraw/zinc/48/58/23/589485823.db2.gz VSCWEIQPLDOHJB-AAEUAGOBSA-N 0 3 238.400 3.120 20 0 BGADHN CS[C@H](C)CN[C@@H](c1ccccn1)C(C)C ZINC000866310470 589485827 /nfs/dbraw/zinc/48/58/27/589485827.db2.gz VSCWEIQPLDOHJB-DGCLKSJQSA-N 0 3 238.400 3.120 20 0 BGADHN CS[C@@H](C)CN[C@@H](c1ccccn1)C(C)C ZINC000866310471 589485748 /nfs/dbraw/zinc/48/57/48/589485748.db2.gz VSCWEIQPLDOHJB-WCQYABFASA-N 0 3 238.400 3.120 20 0 BGADHN CS[C@H](C)CN[C@H](c1ccccn1)C(C)C ZINC000866310472 589485922 /nfs/dbraw/zinc/48/59/22/589485922.db2.gz VSCWEIQPLDOHJB-YPMHNXCESA-N 0 3 238.400 3.120 20 0 BGADHN CC(C)[C@@H](NC1CC(F)(F)C1)c1ccccn1 ZINC000866349482 589487487 /nfs/dbraw/zinc/48/74/87/589487487.db2.gz YQVFLGAGHHMPMP-GFCCVEGCSA-N 0 3 240.297 3.166 20 0 BGADHN CC(C)[C@H](NC1CC(F)(F)C1)c1ccccn1 ZINC000866349483 589487471 /nfs/dbraw/zinc/48/74/71/589487471.db2.gz YQVFLGAGHHMPMP-LBPRGKRZSA-N 0 3 240.297 3.166 20 0 BGADHN FCCN[C@H]1CCc2cccc3cccc1c32 ZINC000866352453 589487875 /nfs/dbraw/zinc/48/78/75/589487875.db2.gz JTOALYLACQXCDU-AWEZNQCLSA-N 0 3 229.298 3.386 20 0 BGADHN FCCN[C@@H]1CCc2cccc3cccc1c32 ZINC000866352456 589487860 /nfs/dbraw/zinc/48/78/60/589487860.db2.gz JTOALYLACQXCDU-CQSZACIVSA-N 0 3 229.298 3.386 20 0 BGADHN C[C@H](CCc1cncc2ccccc21)NCCF ZINC000866353596 589487820 /nfs/dbraw/zinc/48/78/20/589487820.db2.gz UUSZHSYYOMBSAX-GFCCVEGCSA-N 0 3 246.329 3.115 20 0 BGADHN C[C@@H](CCc1cncc2ccccc21)NCCF ZINC000866353598 589487732 /nfs/dbraw/zinc/48/77/32/589487732.db2.gz UUSZHSYYOMBSAX-LBPRGKRZSA-N 0 3 246.329 3.115 20 0 BGADHN C[C@@H]1CCc2ccc(F)cc2[C@@H]1NCCF ZINC000866353909 589487633 /nfs/dbraw/zinc/48/76/33/589487633.db2.gz WJVQKANKPRNJGT-NOZJJQNGSA-N 0 3 225.282 3.008 20 0 BGADHN C[C@@H]1CCc2ccc(F)cc2[C@H]1NCCF ZINC000866353911 589487684 /nfs/dbraw/zinc/48/76/84/589487684.db2.gz WJVQKANKPRNJGT-RNCFNFMXSA-N 0 3 225.282 3.008 20 0 BGADHN C[C@H]1CCc2ccc(F)cc2[C@@H]1NCCF ZINC000866353913 589487643 /nfs/dbraw/zinc/48/76/43/589487643.db2.gz WJVQKANKPRNJGT-TVQRCGJNSA-N 0 3 225.282 3.008 20 0 BGADHN C[C@H]1CCc2ccc(F)cc2[C@H]1NCCF ZINC000866353915 589487754 /nfs/dbraw/zinc/48/77/54/589487754.db2.gz WJVQKANKPRNJGT-ZANVPECISA-N 0 3 225.282 3.008 20 0 BGADHN CC/C=C\CN[C@@H](c1ccccn1)C(C)C ZINC000866363956 589488321 /nfs/dbraw/zinc/48/83/21/589488321.db2.gz OHZNRXDARKPRTH-BRLPQQTGSA-N 0 3 218.344 3.335 20 0 BGADHN CC/C=C/CN[C@H](c1ccccn1)C(C)C ZINC000866363957 589488303 /nfs/dbraw/zinc/48/83/03/589488303.db2.gz OHZNRXDARKPRTH-DYLGSBMWSA-N 0 3 218.344 3.335 20 0 BGADHN CC/C=C/CN[C@@H](c1ccccn1)C(C)C ZINC000866363958 589488221 /nfs/dbraw/zinc/48/82/21/589488221.db2.gz OHZNRXDARKPRTH-HZRUHFOJSA-N 0 3 218.344 3.335 20 0 BGADHN CC/C=C\CN[C@H](c1ccccn1)C(C)C ZINC000866363959 589488201 /nfs/dbraw/zinc/48/82/01/589488201.db2.gz OHZNRXDARKPRTH-VSKVDJIOSA-N 0 3 218.344 3.335 20 0 BGADHN Cc1ccoc1CN[C@H](C)CCc1cccnc1 ZINC000866365257 589488162 /nfs/dbraw/zinc/48/81/62/589488162.db2.gz RMYHNHUCJUWPNO-CYBMUJFWSA-N 0 3 244.338 3.094 20 0 BGADHN Cc1ccoc1CN[C@@H](C)CCc1cccnc1 ZINC000866365258 589488278 /nfs/dbraw/zinc/48/82/78/589488278.db2.gz RMYHNHUCJUWPNO-ZDUSSCGKSA-N 0 3 244.338 3.094 20 0 BGADHN CC(C)[C@@H](N[C@H]1CC1(C)C)c1ccccn1 ZINC000866373895 589488903 /nfs/dbraw/zinc/48/89/03/589488903.db2.gz WYTLZKHCCNYHGK-QWHCGFSZSA-N 0 3 218.344 3.167 20 0 BGADHN CC(C)[C@H](N[C@H]1CC1(C)C)c1ccccn1 ZINC000866373896 589488759 /nfs/dbraw/zinc/48/87/59/589488759.db2.gz WYTLZKHCCNYHGK-STQMWFEESA-N 0 3 218.344 3.167 20 0 BGADHN C[C@@H](N[C@@H]1CC[C@H]1O)c1ccc(C2CCC2)cc1 ZINC000866379386 589488683 /nfs/dbraw/zinc/48/86/83/589488683.db2.gz NKDDBBXTCPZERZ-HFBAOOFYSA-N 0 3 245.366 3.128 20 0 BGADHN C[C@H](N[C@@H]1CC[C@H]1O)c1ccc(C2CCC2)cc1 ZINC000866379387 589488860 /nfs/dbraw/zinc/48/88/60/589488860.db2.gz NKDDBBXTCPZERZ-IUIKQTSFSA-N 0 3 245.366 3.128 20 0 BGADHN CC(C)[C@@H](N[C@H]1C=CCC1)c1ccccn1 ZINC000866388294 589489196 /nfs/dbraw/zinc/48/91/96/589489196.db2.gz GEIIXGGEFKVLIZ-GXTWGEPZSA-N 0 3 216.328 3.087 20 0 BGADHN CC(C)[C@H](N[C@H]1C=CCC1)c1ccccn1 ZINC000866388295 589489369 /nfs/dbraw/zinc/48/93/69/589489369.db2.gz GEIIXGGEFKVLIZ-JSGCOSHPSA-N 0 3 216.328 3.087 20 0 BGADHN CC(C)[C@H](N[C@@H]1C=CCC1)c1ccccn1 ZINC000866388296 589489232 /nfs/dbraw/zinc/48/92/32/589489232.db2.gz GEIIXGGEFKVLIZ-OCCSQVGLSA-N 0 3 216.328 3.087 20 0 BGADHN CC(C)[C@@H](N[C@@H]1C=CCC1)c1ccccn1 ZINC000866388297 589489396 /nfs/dbraw/zinc/48/93/96/589489396.db2.gz GEIIXGGEFKVLIZ-TZMCWYRMSA-N 0 3 216.328 3.087 20 0 BGADHN CC(C)[C@H](NCCc1ccoc1)c1ccccn1 ZINC000866388492 589489338 /nfs/dbraw/zinc/48/93/38/589489338.db2.gz BQPACCMMPAOABZ-HNNXBMFYSA-N 0 3 244.338 3.204 20 0 BGADHN CC(C)[C@@H](NCCc1ccoc1)c1ccccn1 ZINC000866388494 589489313 /nfs/dbraw/zinc/48/93/13/589489313.db2.gz BQPACCMMPAOABZ-OAHLLOKOSA-N 0 3 244.338 3.204 20 0 BGADHN C[C@H](NCC(C)(C)F)c1ccc2c(c1)CCO2 ZINC000866407752 589491232 /nfs/dbraw/zinc/49/12/32/589491232.db2.gz BREMXOVLEASPFV-JTQLQIEISA-N 0 3 237.318 3.020 20 0 BGADHN C[C@@H](NCC(C)(C)F)c1ccc2c(c1)CCO2 ZINC000866407754 589491159 /nfs/dbraw/zinc/49/11/59/589491159.db2.gz BREMXOVLEASPFV-SNVBAGLBSA-N 0 3 237.318 3.020 20 0 BGADHN C[C@H](CSC(C)(C)C)NCC(C)(C)F ZINC000866408126 589490940 /nfs/dbraw/zinc/49/09/40/589490940.db2.gz GKVMYZIZGHMDPK-SECBINFHSA-N 0 3 221.385 3.244 20 0 BGADHN C[C@@H](CSC(C)(C)C)NCC(C)(C)F ZINC000866408127 589491371 /nfs/dbraw/zinc/49/13/71/589491371.db2.gz GKVMYZIZGHMDPK-VIFPVBQESA-N 0 3 221.385 3.244 20 0 BGADHN CCOc1cccc([C@@H](C)NCC(C)(C)F)c1 ZINC000866408250 589491352 /nfs/dbraw/zinc/49/13/52/589491352.db2.gz IPFMYYLTXYITKD-LLVKDONJSA-N 0 3 239.334 3.484 20 0 BGADHN CCOc1cccc([C@H](C)NCC(C)(C)F)c1 ZINC000866408252 589491240 /nfs/dbraw/zinc/49/12/40/589491240.db2.gz IPFMYYLTXYITKD-NSHDSACASA-N 0 3 239.334 3.484 20 0 BGADHN C[C@@H](Cc1cccc(F)c1)NCC(C)(C)F ZINC000866409117 589490900 /nfs/dbraw/zinc/49/09/00/589490900.db2.gz VSADKMKTIXTUQR-JTQLQIEISA-N 0 3 227.298 3.094 20 0 BGADHN C[C@H](Cc1cccc(F)c1)NCC(C)(C)F ZINC000866409118 589491185 /nfs/dbraw/zinc/49/11/85/589491185.db2.gz VSADKMKTIXTUQR-SNVBAGLBSA-N 0 3 227.298 3.094 20 0 BGADHN F[C@@H]1CCCC[C@@H]1NC1Cc2ccccc2C1 ZINC000866448165 589493482 /nfs/dbraw/zinc/49/34/82/589493482.db2.gz AQNQIRIVQCJWTO-CABCVRRESA-N 0 3 233.330 3.024 20 0 BGADHN Cc1ccncc1[C@H](C)N[C@@H]1CCCC[C@@H]1F ZINC000866449433 636902261 /nfs/dbraw/zinc/90/22/61/636902261.db2.gz BWRNTMQFDZVHRW-FPMFFAJLSA-N 0 3 236.334 3.321 20 0 BGADHN Cc1ccncc1[C@@H](C)N[C@@H]1CCCC[C@@H]1F ZINC000866449434 584119092 /nfs/dbraw/zinc/11/90/92/584119092.db2.gz BWRNTMQFDZVHRW-KWCYVHTRSA-N 0 3 236.334 3.321 20 0 BGADHN C[C@@H](N[C@@H]1CCCC[C@@H]1F)c1ccncc1 ZINC000866449814 589493640 /nfs/dbraw/zinc/49/36/40/589493640.db2.gz IUZAKDOPGWOSOF-KGYLQXTDSA-N 0 3 222.307 3.013 20 0 BGADHN C[C@H](N[C@@H]1CCCC[C@@H]1F)c1ccncc1 ZINC000866449815 589493608 /nfs/dbraw/zinc/49/36/08/589493608.db2.gz IUZAKDOPGWOSOF-WCFLWFBJSA-N 0 3 222.307 3.013 20 0 BGADHN Cc1cncc([C@H](C)N[C@@H]2CCCC[C@@H]2F)c1 ZINC000866450045 589493723 /nfs/dbraw/zinc/49/37/23/589493723.db2.gz MLXRHXCSSKPROI-FPMFFAJLSA-N 0 3 236.334 3.321 20 0 BGADHN Cc1cncc([C@@H](C)N[C@@H]2CCCC[C@@H]2F)c1 ZINC000866450046 589494025 /nfs/dbraw/zinc/49/40/25/589494025.db2.gz MLXRHXCSSKPROI-KWCYVHTRSA-N 0 3 236.334 3.321 20 0 BGADHN F[C@@H]1CCCC[C@@H]1N[C@H]1CCCc2ncccc21 ZINC000866450985 589493599 /nfs/dbraw/zinc/49/35/99/589493599.db2.gz CCBCIUCCTDGVFY-SNPRPXQTSA-N 0 3 248.345 3.329 20 0 BGADHN F[C@@H]1CCCC[C@@H]1N[C@@H]1CCCc2ncccc21 ZINC000866450986 589493830 /nfs/dbraw/zinc/49/38/30/589493830.db2.gz CCBCIUCCTDGVFY-YUELXQCFSA-N 0 3 248.345 3.329 20 0 BGADHN CC[C@@H](N[C@@H]1CCCC[C@@H]1F)c1ccncc1 ZINC000866451169 589493673 /nfs/dbraw/zinc/49/36/73/589493673.db2.gz FTBUVKOSQFJGNW-BFHYXJOUSA-N 0 3 236.334 3.403 20 0 BGADHN CC[C@H](N[C@@H]1CCCC[C@@H]1F)c1ccncc1 ZINC000866451170 589493864 /nfs/dbraw/zinc/49/38/64/589493864.db2.gz FTBUVKOSQFJGNW-MELADBBJSA-N 0 3 236.334 3.403 20 0 BGADHN C[C@@H](N[C@@H](C)c1ccn(C)n1)[C@]12C[C@H]1CCCC2 ZINC000866455387 589494255 /nfs/dbraw/zinc/49/42/55/589494255.db2.gz GLUMLLASPXLGFN-JLNYLFASSA-N 0 3 247.386 3.040 20 0 BGADHN C[C@@H](N[C@@H](C)c1ccn(C)n1)[C@@]12C[C@@H]1CCCC2 ZINC000866455392 589494468 /nfs/dbraw/zinc/49/44/68/589494468.db2.gz GLUMLLASPXLGFN-SFDCQRBFSA-N 0 3 247.386 3.040 20 0 BGADHN C[C@@H](NCC1CCC2(CC2)CC1)c1ccn(C)n1 ZINC000866476036 589495569 /nfs/dbraw/zinc/49/55/69/589495569.db2.gz LUCUQRSKWIECDZ-GFCCVEGCSA-N 0 3 247.386 3.041 20 0 BGADHN C[C@H](NCC1CCC2(CC2)CC1)c1ccn(C)n1 ZINC000866476037 589495550 /nfs/dbraw/zinc/49/55/50/589495550.db2.gz LUCUQRSKWIECDZ-LBPRGKRZSA-N 0 3 247.386 3.041 20 0 BGADHN C[C@@H](NCC1CCC2(CC2)CC1)c1ncc[nH]1 ZINC000866476418 589495294 /nfs/dbraw/zinc/49/52/94/589495294.db2.gz SKKBWEZXVRBMNF-LLVKDONJSA-N 0 3 233.359 3.031 20 0 BGADHN C[C@H](NCC1CCC2(CC2)CC1)c1ncc[nH]1 ZINC000866476419 589495557 /nfs/dbraw/zinc/49/55/57/589495557.db2.gz SKKBWEZXVRBMNF-NSHDSACASA-N 0 3 233.359 3.031 20 0 BGADHN Cc1ccc(CN[C@H](C)CCc2cccnc2)o1 ZINC000866479299 589495504 /nfs/dbraw/zinc/49/55/04/589495504.db2.gz SQKWISBLJITASC-GFCCVEGCSA-N 0 3 244.338 3.094 20 0 BGADHN Cc1ccc(CN[C@@H](C)CCc2cccnc2)o1 ZINC000866479300 589495329 /nfs/dbraw/zinc/49/53/29/589495329.db2.gz SQKWISBLJITASC-LBPRGKRZSA-N 0 3 244.338 3.094 20 0 BGADHN CCc1ccc([C@@H](C)N[C@H]2C[C@H](SC)C2)o1 ZINC000866486544 589496449 /nfs/dbraw/zinc/49/64/49/589496449.db2.gz KNNSWIYQUGKSRO-CKYFFXLPSA-N 0 3 239.384 3.387 20 0 BGADHN CCc1ccc([C@H](C)N[C@H]2C[C@H](SC)C2)o1 ZINC000866486545 589496503 /nfs/dbraw/zinc/49/65/03/589496503.db2.gz KNNSWIYQUGKSRO-NHCYSSNCSA-N 0 3 239.384 3.387 20 0 BGADHN CS[C@H]1C[C@H](N[C@H](C)c2ccsc2)C1 ZINC000866486659 589496210 /nfs/dbraw/zinc/49/62/10/589496210.db2.gz NNTTZSVAELHHQB-FBIMIBRVSA-N 0 3 227.398 3.293 20 0 BGADHN CS[C@H]1C[C@H](N[C@@H](C)c2ccsc2)C1 ZINC000866486660 589496304 /nfs/dbraw/zinc/49/63/04/589496304.db2.gz NNTTZSVAELHHQB-LSJOCFKGSA-N 0 3 227.398 3.293 20 0 BGADHN CS[C@H]1C[C@H](N[C@@H](C)c2cc(C)oc2C)C1 ZINC000866487035 589496373 /nfs/dbraw/zinc/49/63/73/589496373.db2.gz UBBDKXMAJKGNMQ-DLOVCJGASA-N 0 3 239.384 3.441 20 0 BGADHN CS[C@H]1C[C@H](N[C@H](C)c2cc(C)oc2C)C1 ZINC000866487036 584119885 /nfs/dbraw/zinc/11/98/85/584119885.db2.gz UBBDKXMAJKGNMQ-YUSALJHKSA-N 0 3 239.384 3.441 20 0 BGADHN CS[C@H]1C[C@H](N[C@@H](C)c2ccc(C)o2)C1 ZINC000866487104 589496421 /nfs/dbraw/zinc/49/64/21/589496421.db2.gz UPTYADHBYHPAAE-DCAQKATOSA-N 0 3 225.357 3.133 20 0 BGADHN CS[C@H]1C[C@H](N[C@H](C)c2ccc(C)o2)C1 ZINC000866487105 589495013 /nfs/dbraw/zinc/49/50/13/589495013.db2.gz UPTYADHBYHPAAE-GMTAPVOTSA-N 0 3 225.357 3.133 20 0 BGADHN CS[C@H]1C[C@H](N[C@@H]2CCCc3occc32)C1 ZINC000866487647 589497076 /nfs/dbraw/zinc/49/70/76/589497076.db2.gz DJBMQNJSCUMSNV-CKYFFXLPSA-N 0 3 237.368 3.141 20 0 BGADHN CS[C@H]1C[C@H](N[C@H]2CCCc3occc32)C1 ZINC000866487648 589497087 /nfs/dbraw/zinc/49/70/87/589497087.db2.gz DJBMQNJSCUMSNV-NHCYSSNCSA-N 0 3 237.368 3.141 20 0 BGADHN CS[C@H]1C[C@H](N[C@@H](C)c2cc(C)c(C)o2)C1 ZINC000866488846 589496941 /nfs/dbraw/zinc/49/69/41/589496941.db2.gz VRWPWQGASKSJBU-DLOVCJGASA-N 0 3 239.384 3.441 20 0 BGADHN CS[C@H]1C[C@H](N[C@H](C)c2cc(C)c(C)o2)C1 ZINC000866488847 589497036 /nfs/dbraw/zinc/49/70/36/589497036.db2.gz VRWPWQGASKSJBU-YUSALJHKSA-N 0 3 239.384 3.441 20 0 BGADHN CCc1ccc([C@@H](C)NCCC(C)(C)OC)o1 ZINC000866504605 589498046 /nfs/dbraw/zinc/49/80/46/589498046.db2.gz LRFMJBALWANVGO-LLVKDONJSA-N 0 3 239.359 3.308 20 0 BGADHN CCc1ccc([C@H](C)NCCC(C)(C)OC)o1 ZINC000866504607 589498207 /nfs/dbraw/zinc/49/82/07/589498207.db2.gz LRFMJBALWANVGO-NSHDSACASA-N 0 3 239.359 3.308 20 0 BGADHN COC(C)(C)CCN[C@H](C)c1cc(C)c(C)o1 ZINC000866505118 589498090 /nfs/dbraw/zinc/49/80/90/589498090.db2.gz HQKCTDAKTHCZLR-LLVKDONJSA-N 0 3 239.359 3.362 20 0 BGADHN COC(C)(C)CCN[C@@H](C)c1cc(C)c(C)o1 ZINC000866505119 589498151 /nfs/dbraw/zinc/49/81/51/589498151.db2.gz HQKCTDAKTHCZLR-NSHDSACASA-N 0 3 239.359 3.362 20 0 BGADHN CC[C@@H]1CC[C@H]1NCc1noc2ccc(F)cc12 ZINC000866510586 589498369 /nfs/dbraw/zinc/49/83/69/589498369.db2.gz FYNQYYGUZQSTFI-BXKDBHETSA-N 0 3 248.301 3.245 20 0 BGADHN CC[C@H]1CC[C@@H]1NCc1noc2ccc(F)cc12 ZINC000866510587 589498672 /nfs/dbraw/zinc/49/86/72/589498672.db2.gz FYNQYYGUZQSTFI-CABZTGNLSA-N 0 3 248.301 3.245 20 0 BGADHN CC[C@H]1CC[C@H]1NCc1noc2ccc(F)cc12 ZINC000866510589 589498709 /nfs/dbraw/zinc/49/87/09/589498709.db2.gz FYNQYYGUZQSTFI-JOYOIKCWSA-N 0 3 248.301 3.245 20 0 BGADHN CC[C@@H]1CC[C@@H]1NCc1noc2ccc(F)cc12 ZINC000866510591 589498684 /nfs/dbraw/zinc/49/86/84/589498684.db2.gz FYNQYYGUZQSTFI-SKDRFNHKSA-N 0 3 248.301 3.245 20 0 BGADHN CC[C@@H](NCc1noc2ccc(F)cc12)C1CC1 ZINC000866510713 589498625 /nfs/dbraw/zinc/49/86/25/589498625.db2.gz ISSNVAUMWUIKPG-GFCCVEGCSA-N 0 3 248.301 3.245 20 0 BGADHN CC[C@H](NCc1noc2ccc(F)cc12)C1CC1 ZINC000866510715 589498581 /nfs/dbraw/zinc/49/85/81/589498581.db2.gz ISSNVAUMWUIKPG-LBPRGKRZSA-N 0 3 248.301 3.245 20 0 BGADHN C[C@H](CC1CC1)NCc1noc2ccc(F)cc12 ZINC000866511890 589498338 /nfs/dbraw/zinc/49/83/38/589498338.db2.gz VAJBEMAQHBCDCQ-SECBINFHSA-N 0 3 248.301 3.245 20 0 BGADHN C[C@@H](CC1CC1)NCc1noc2ccc(F)cc12 ZINC000866511892 589498632 /nfs/dbraw/zinc/49/86/32/589498632.db2.gz VAJBEMAQHBCDCQ-VIFPVBQESA-N 0 3 248.301 3.245 20 0 BGADHN CC1(C)CC[C@H]1NCc1noc2ccc(F)cc12 ZINC000866512079 589498471 /nfs/dbraw/zinc/49/84/71/589498471.db2.gz VMFJRLQVZZNNIW-CYBMUJFWSA-N 0 3 248.301 3.245 20 0 BGADHN CC1(C)CC[C@@H]1NCc1noc2ccc(F)cc12 ZINC000866512082 589498312 /nfs/dbraw/zinc/49/83/12/589498312.db2.gz VMFJRLQVZZNNIW-ZDUSSCGKSA-N 0 3 248.301 3.245 20 0 BGADHN CC1(C)CC(NCc2noc3ccc(F)cc23)C1 ZINC000866512148 589498414 /nfs/dbraw/zinc/49/84/14/589498414.db2.gz WCDAVLDBKAAYEW-UHFFFAOYSA-N 0 3 248.301 3.245 20 0 BGADHN C[C@@H](NCc1noc2ccc(F)cc12)C1CCC1 ZINC000866513095 589498657 /nfs/dbraw/zinc/49/86/57/589498657.db2.gz JNICRQQQGPOGNM-SECBINFHSA-N 0 3 248.301 3.245 20 0 BGADHN C[C@H](NCc1noc2ccc(F)cc12)C1CCC1 ZINC000866513096 589498674 /nfs/dbraw/zinc/49/86/74/589498674.db2.gz JNICRQQQGPOGNM-VIFPVBQESA-N 0 3 248.301 3.245 20 0 BGADHN CC(C)[C@@H](C)NCc1noc2ccc(F)cc12 ZINC000866513101 589498696 /nfs/dbraw/zinc/49/86/96/589498696.db2.gz JZIANBMNGBTNTQ-SECBINFHSA-N 0 3 236.290 3.101 20 0 BGADHN CC(C)[C@H](C)NCc1noc2ccc(F)cc12 ZINC000866513102 589498329 /nfs/dbraw/zinc/49/83/29/589498329.db2.gz JZIANBMNGBTNTQ-VIFPVBQESA-N 0 3 236.290 3.101 20 0 BGADHN CCC[C@@H](C)NCc1noc2ccc(F)cc12 ZINC000866513441 589498707 /nfs/dbraw/zinc/49/87/07/589498707.db2.gz NVAYMSOUKYKTKY-SECBINFHSA-N 0 3 236.290 3.245 20 0 BGADHN CCC[C@H](C)NCc1noc2ccc(F)cc12 ZINC000866513442 589498480 /nfs/dbraw/zinc/49/84/80/589498480.db2.gz NVAYMSOUKYKTKY-VIFPVBQESA-N 0 3 236.290 3.245 20 0 BGADHN CCC(CC)NCc1noc2ccc(F)cc12 ZINC000866513724 589498453 /nfs/dbraw/zinc/49/84/53/589498453.db2.gz PTCHYUSSURDRMF-UHFFFAOYSA-N 0 3 236.290 3.245 20 0 BGADHN C[C@@H](NC[C@H]1CCC12CCOCC2)c1ccco1 ZINC000866527419 589499148 /nfs/dbraw/zinc/49/91/48/589499148.db2.gz IHCBVQIHFHKPPF-CHWSQXEVSA-N 0 3 249.354 3.137 20 0 BGADHN C[C@@H](NC[C@@H]1CCC12CCOCC2)c1ccco1 ZINC000866527420 589499198 /nfs/dbraw/zinc/49/91/98/589499198.db2.gz IHCBVQIHFHKPPF-OLZOCXBDSA-N 0 3 249.354 3.137 20 0 BGADHN C[C@H](NC[C@H]1CCC12CCOCC2)c1ccco1 ZINC000866527421 589499188 /nfs/dbraw/zinc/49/91/88/589499188.db2.gz IHCBVQIHFHKPPF-QWHCGFSZSA-N 0 3 249.354 3.137 20 0 BGADHN C[C@H](NC[C@@H]1CCC12CCOCC2)c1ccco1 ZINC000866527422 589499196 /nfs/dbraw/zinc/49/91/96/589499196.db2.gz IHCBVQIHFHKPPF-STQMWFEESA-N 0 3 249.354 3.137 20 0 BGADHN CC[C@@H](NCCCCC1CC1)c1nccn1C ZINC000866540719 589499609 /nfs/dbraw/zinc/49/96/09/589499609.db2.gz RVXCMAUTDVNEMB-CYBMUJFWSA-N 0 3 235.375 3.041 20 0 BGADHN CC[C@H](NCCCCC1CC1)c1nccn1C ZINC000866540720 589499788 /nfs/dbraw/zinc/49/97/88/589499788.db2.gz RVXCMAUTDVNEMB-ZDUSSCGKSA-N 0 3 235.375 3.041 20 0 BGADHN Cn1ccnc1[C@@H](NCCCCC1CC1)C1CC1 ZINC000866540951 584120384 /nfs/dbraw/zinc/12/03/84/584120384.db2.gz VBUQGRWSORXIIM-AWEZNQCLSA-N 0 3 247.386 3.041 20 0 BGADHN Cn1ccnc1[C@H](NCCCCC1CC1)C1CC1 ZINC000866540952 584120513 /nfs/dbraw/zinc/12/05/13/584120513.db2.gz VBUQGRWSORXIIM-CQSZACIVSA-N 0 3 247.386 3.041 20 0 BGADHN C[C@@H](NCCCCC1CC1)c1cc2n(n1)CCC2 ZINC000866541203 589499770 /nfs/dbraw/zinc/49/97/70/589499770.db2.gz IMRDJSSYRMJDKL-GFCCVEGCSA-N 0 3 247.386 3.060 20 0 BGADHN C[C@H](NCCCCC1CC1)c1cc2n(n1)CCC2 ZINC000866541204 589499525 /nfs/dbraw/zinc/49/95/25/589499525.db2.gz IMRDJSSYRMJDKL-LBPRGKRZSA-N 0 3 247.386 3.060 20 0 BGADHN CCn1ccnc1[C@@H](C)NCCCCC1CC1 ZINC000866541454 589500128 /nfs/dbraw/zinc/50/01/28/589500128.db2.gz MHOQNWHZPFEAMT-GFCCVEGCSA-N 0 3 235.375 3.134 20 0 BGADHN CCn1ccnc1[C@H](C)NCCCCC1CC1 ZINC000866541455 589499985 /nfs/dbraw/zinc/49/99/85/589499985.db2.gz MHOQNWHZPFEAMT-LBPRGKRZSA-N 0 3 235.375 3.134 20 0 BGADHN Cc1n[nH]cc1[C@@H](C)NCC(C)(C)C(C)(F)F ZINC000866543925 589500052 /nfs/dbraw/zinc/50/00/52/589500052.db2.gz AZXCIWSQQMCAGD-MRVPVSSYSA-N 0 3 245.317 3.050 20 0 BGADHN Cc1n[nH]cc1[C@H](C)NCC(C)(C)C(C)(F)F ZINC000866543926 589500062 /nfs/dbraw/zinc/50/00/62/589500062.db2.gz AZXCIWSQQMCAGD-QMMMGPOBSA-N 0 3 245.317 3.050 20 0 BGADHN CCCC[C@@H](C)NCc1nn(C)cc1C(F)F ZINC000866562133 589500661 /nfs/dbraw/zinc/50/06/61/589500661.db2.gz CQDWLSLJWVCBIX-SECBINFHSA-N 0 3 245.317 3.026 20 0 BGADHN CCCC[C@H](C)NCc1nn(C)cc1C(F)F ZINC000866562135 589500755 /nfs/dbraw/zinc/50/07/55/589500755.db2.gz CQDWLSLJWVCBIX-VIFPVBQESA-N 0 3 245.317 3.026 20 0 BGADHN CCC[C@@H](CC)NCc1nn(C)cc1C(F)F ZINC000866565358 589500523 /nfs/dbraw/zinc/50/05/23/589500523.db2.gz KYLROGDYAXMYOD-SECBINFHSA-N 0 3 245.317 3.026 20 0 BGADHN CCC[C@H](CC)NCc1nn(C)cc1C(F)F ZINC000866565359 589500814 /nfs/dbraw/zinc/50/08/14/589500814.db2.gz KYLROGDYAXMYOD-VIFPVBQESA-N 0 3 245.317 3.026 20 0 BGADHN COCC[C@@H](C)NCc1ccc(C(C)(C)C)o1 ZINC000866571617 589501214 /nfs/dbraw/zinc/50/12/14/589501214.db2.gz FLLXITSPVMTVLG-LLVKDONJSA-N 0 3 239.359 3.092 20 0 BGADHN COCC[C@H](C)NCc1ccc(C(C)(C)C)o1 ZINC000866571618 589501376 /nfs/dbraw/zinc/50/13/76/589501376.db2.gz FLLXITSPVMTVLG-NSHDSACASA-N 0 3 239.359 3.092 20 0 BGADHN CCOC[C@@H](C)NCc1ccc(C(C)(C)C)o1 ZINC000866572065 589501483 /nfs/dbraw/zinc/50/14/83/589501483.db2.gz KWNDDXLHLAGIIL-LLVKDONJSA-N 0 3 239.359 3.092 20 0 BGADHN CCOC[C@H](C)NCc1ccc(C(C)(C)C)o1 ZINC000866572067 589500907 /nfs/dbraw/zinc/50/09/07/589500907.db2.gz KWNDDXLHLAGIIL-NSHDSACASA-N 0 3 239.359 3.092 20 0 BGADHN CO[C@H](C)[C@@H](C)NCc1ccc(C(C)(C)C)o1 ZINC000866573000 589501466 /nfs/dbraw/zinc/50/14/66/589501466.db2.gz FDSSOHLVLHHTIO-GHMZBOCLSA-N 0 3 239.359 3.090 20 0 BGADHN CO[C@@H](C)[C@@H](C)NCc1ccc(C(C)(C)C)o1 ZINC000866573001 589500887 /nfs/dbraw/zinc/50/08/87/589500887.db2.gz FDSSOHLVLHHTIO-MNOVXSKESA-N 0 3 239.359 3.090 20 0 BGADHN CO[C@@H](C)[C@H](C)NCc1ccc(C(C)(C)C)o1 ZINC000866573002 589501440 /nfs/dbraw/zinc/50/14/40/589501440.db2.gz FDSSOHLVLHHTIO-QWRGUYRKSA-N 0 3 239.359 3.090 20 0 BGADHN CO[C@H](C)[C@H](C)NCc1ccc(C(C)(C)C)o1 ZINC000866573003 589500894 /nfs/dbraw/zinc/50/08/94/589500894.db2.gz FDSSOHLVLHHTIO-WDEREUQCSA-N 0 3 239.359 3.090 20 0 BGADHN CC(C)(C)c1ccc(CN[C@H]2CCSC2)o1 ZINC000866573750 589501148 /nfs/dbraw/zinc/50/11/48/589501148.db2.gz YGGBKVAAUTWULB-JTQLQIEISA-N 0 3 239.384 3.172 20 0 BGADHN CC(C)(C)c1ccc(CN[C@@H]2CCSC2)o1 ZINC000866573753 589501295 /nfs/dbraw/zinc/50/12/95/589501295.db2.gz YGGBKVAAUTWULB-SNVBAGLBSA-N 0 3 239.384 3.172 20 0 BGADHN C[C@@H](NCc1noc2cc(F)ccc12)C1CCC1 ZINC000866608099 589504279 /nfs/dbraw/zinc/50/42/79/589504279.db2.gz ATYMQNMOJBCRPS-SECBINFHSA-N 0 3 248.301 3.245 20 0 BGADHN C[C@H](NCc1noc2cc(F)ccc12)C1CCC1 ZINC000866608100 589504245 /nfs/dbraw/zinc/50/42/45/589504245.db2.gz ATYMQNMOJBCRPS-VIFPVBQESA-N 0 3 248.301 3.245 20 0 BGADHN CC[C@@H](NCc1noc2cc(F)ccc12)C1CC1 ZINC000866609670 589504459 /nfs/dbraw/zinc/50/44/59/589504459.db2.gz JIVADLBLRIXCQZ-GFCCVEGCSA-N 0 3 248.301 3.245 20 0 BGADHN CC[C@H](NCc1noc2cc(F)ccc12)C1CC1 ZINC000866609671 589504461 /nfs/dbraw/zinc/50/44/61/589504461.db2.gz JIVADLBLRIXCQZ-LBPRGKRZSA-N 0 3 248.301 3.245 20 0 BGADHN CCC(CC)NCc1noc2cc(F)ccc12 ZINC000866609982 589504446 /nfs/dbraw/zinc/50/44/46/589504446.db2.gz JZENTUGLJLUREL-UHFFFAOYSA-N 0 3 236.290 3.245 20 0 BGADHN CC(C)[C@@H](C)NCc1noc2cc(F)ccc12 ZINC000866611351 589504720 /nfs/dbraw/zinc/50/47/20/589504720.db2.gz SSCTXVGYQCTXDS-SECBINFHSA-N 0 3 236.290 3.101 20 0 BGADHN CC(C)[C@H](C)NCc1noc2cc(F)ccc12 ZINC000866611352 589504672 /nfs/dbraw/zinc/50/46/72/589504672.db2.gz SSCTXVGYQCTXDS-VIFPVBQESA-N 0 3 236.290 3.101 20 0 BGADHN C[C@H](CC1CC1)NCc1noc2cc(F)ccc12 ZINC000866611410 589504677 /nfs/dbraw/zinc/50/46/77/589504677.db2.gz UKHBLEPPIAQIRW-SECBINFHSA-N 0 3 248.301 3.245 20 0 BGADHN C[C@@H](CC1CC1)NCc1noc2cc(F)ccc12 ZINC000866611411 589504643 /nfs/dbraw/zinc/50/46/43/589504643.db2.gz UKHBLEPPIAQIRW-VIFPVBQESA-N 0 3 248.301 3.245 20 0 BGADHN CCC[C@@H](C)NCc1noc2cc(F)ccc12 ZINC000866611863 584120878 /nfs/dbraw/zinc/12/08/78/584120878.db2.gz XUJGBLFECZSVMH-SECBINFHSA-N 0 3 236.290 3.245 20 0 BGADHN CCC[C@H](C)NCc1noc2cc(F)ccc12 ZINC000866611865 584121014 /nfs/dbraw/zinc/12/10/14/584121014.db2.gz XUJGBLFECZSVMH-VIFPVBQESA-N 0 3 236.290 3.245 20 0 BGADHN Cc1ccsc1[C@@H](C)N[C@H](C)c1ccnn1C ZINC000866612130 589504604 /nfs/dbraw/zinc/50/46/04/589504604.db2.gz CPWVECNHBAZJIN-GHMZBOCLSA-N 0 3 249.383 3.202 20 0 BGADHN Cc1ccsc1[C@H](C)N[C@H](C)c1ccnn1C ZINC000866612131 589504709 /nfs/dbraw/zinc/50/47/09/589504709.db2.gz CPWVECNHBAZJIN-MNOVXSKESA-N 0 3 249.383 3.202 20 0 BGADHN Cc1ccsc1[C@H](C)N[C@@H](C)c1ccnn1C ZINC000866612132 589504724 /nfs/dbraw/zinc/50/47/24/589504724.db2.gz CPWVECNHBAZJIN-QWRGUYRKSA-N 0 3 249.383 3.202 20 0 BGADHN Cc1ccsc1[C@@H](C)N[C@@H](C)c1ccnn1C ZINC000866612133 589504568 /nfs/dbraw/zinc/50/45/68/589504568.db2.gz CPWVECNHBAZJIN-WDEREUQCSA-N 0 3 249.383 3.202 20 0 BGADHN CC1(C)CC(NCc2noc3cc(F)ccc23)C1 ZINC000866612265 589504669 /nfs/dbraw/zinc/50/46/69/589504669.db2.gz FZDFSZVBBFTMEK-UHFFFAOYSA-N 0 3 248.301 3.245 20 0 BGADHN CC1(C)CC[C@H]1NCc1noc2cc(F)ccc12 ZINC000866613109 589504868 /nfs/dbraw/zinc/50/48/68/589504868.db2.gz QLEDGXCFDMTNND-CYBMUJFWSA-N 0 3 248.301 3.245 20 0 BGADHN CC1(C)CC[C@@H]1NCc1noc2cc(F)ccc12 ZINC000866613110 589504880 /nfs/dbraw/zinc/50/48/80/589504880.db2.gz QLEDGXCFDMTNND-ZDUSSCGKSA-N 0 3 248.301 3.245 20 0 BGADHN CC[C@@H]1CC[C@H]1NCc1noc2cc(F)ccc12 ZINC000866613710 589504822 /nfs/dbraw/zinc/50/48/22/589504822.db2.gz VIIGETRWTKGBEN-BXKDBHETSA-N 0 3 248.301 3.245 20 0 BGADHN CC[C@H]1CC[C@@H]1NCc1noc2cc(F)ccc12 ZINC000866613712 589504780 /nfs/dbraw/zinc/50/47/80/589504780.db2.gz VIIGETRWTKGBEN-CABZTGNLSA-N 0 3 248.301 3.245 20 0 BGADHN CC[C@H]1CC[C@H]1NCc1noc2cc(F)ccc12 ZINC000866613715 589505208 /nfs/dbraw/zinc/50/52/08/589505208.db2.gz VIIGETRWTKGBEN-JOYOIKCWSA-N 0 3 248.301 3.245 20 0 BGADHN CC[C@@H]1CC[C@@H]1NCc1noc2cc(F)ccc12 ZINC000866613718 589504893 /nfs/dbraw/zinc/50/48/93/589504893.db2.gz VIIGETRWTKGBEN-SKDRFNHKSA-N 0 3 248.301 3.245 20 0 BGADHN C[C@H](NC1([C@H]2CCCCO2)CCC1)c1ccco1 ZINC000866622452 589505338 /nfs/dbraw/zinc/50/53/38/589505338.db2.gz MTVVALAAAPQEAR-GXTWGEPZSA-N 0 3 249.354 3.422 20 0 BGADHN C[C@H](NC1([C@@H]2CCCCO2)CCC1)c1ccco1 ZINC000866622454 589505531 /nfs/dbraw/zinc/50/55/31/589505531.db2.gz MTVVALAAAPQEAR-JSGCOSHPSA-N 0 3 249.354 3.422 20 0 BGADHN C[C@@H](NC1([C@@H]2CCCCO2)CCC1)c1ccco1 ZINC000866622456 589505585 /nfs/dbraw/zinc/50/55/85/589505585.db2.gz MTVVALAAAPQEAR-OCCSQVGLSA-N 0 3 249.354 3.422 20 0 BGADHN C[C@@H](NC1([C@H]2CCCCO2)CCC1)c1ccco1 ZINC000866622458 589505289 /nfs/dbraw/zinc/50/52/89/589505289.db2.gz MTVVALAAAPQEAR-TZMCWYRMSA-N 0 3 249.354 3.422 20 0 BGADHN C[C@H](NC1([C@H]2CCCCO2)CCC1)c1ccoc1 ZINC000866623421 589505820 /nfs/dbraw/zinc/50/58/20/589505820.db2.gz UTSHGAKFACATKG-GXTWGEPZSA-N 0 3 249.354 3.422 20 0 BGADHN C[C@H](NC1([C@@H]2CCCCO2)CCC1)c1ccoc1 ZINC000866623422 589505865 /nfs/dbraw/zinc/50/58/65/589505865.db2.gz UTSHGAKFACATKG-JSGCOSHPSA-N 0 3 249.354 3.422 20 0 BGADHN C[C@@H](NC1([C@@H]2CCCCO2)CCC1)c1ccoc1 ZINC000866623423 589505928 /nfs/dbraw/zinc/50/59/28/589505928.db2.gz UTSHGAKFACATKG-OCCSQVGLSA-N 0 3 249.354 3.422 20 0 BGADHN C[C@@H](NC1([C@H]2CCCCO2)CCC1)c1ccoc1 ZINC000866623424 589505853 /nfs/dbraw/zinc/50/58/53/589505853.db2.gz UTSHGAKFACATKG-TZMCWYRMSA-N 0 3 249.354 3.422 20 0 BGADHN CC[C@H](C[C@H](C)O)N[C@H](C)c1cc(C)c(C)o1 ZINC000866632812 589505661 /nfs/dbraw/zinc/50/56/61/589505661.db2.gz BXHNNEPUEUCBBC-DMDPSCGWSA-N 0 3 239.359 3.097 20 0 BGADHN CC[C@H](C[C@H](C)O)N[C@@H](C)c1cc(C)c(C)o1 ZINC000866632813 584121004 /nfs/dbraw/zinc/12/10/04/584121004.db2.gz BXHNNEPUEUCBBC-GMXVVIOVSA-N 0 3 239.359 3.097 20 0 BGADHN CC[C@H](C[C@@H](C)O)N[C@H](C)c1cc(C)c(C)o1 ZINC000866632814 584121047 /nfs/dbraw/zinc/12/10/47/584121047.db2.gz BXHNNEPUEUCBBC-NQBHXWOUSA-N 0 3 239.359 3.097 20 0 BGADHN CC[C@H](C[C@@H](C)O)N[C@@H](C)c1cc(C)c(C)o1 ZINC000866632815 584121072 /nfs/dbraw/zinc/12/10/72/584121072.db2.gz BXHNNEPUEUCBBC-NTZNESFSSA-N 0 3 239.359 3.097 20 0 BGADHN CCc1ccc([C@H](C)N[C@H](CC)C[C@@H](C)O)o1 ZINC000866636017 589506807 /nfs/dbraw/zinc/50/68/07/589506807.db2.gz WBFUJFBUDGUWDL-GRYCIOLGSA-N 0 3 239.359 3.042 20 0 BGADHN CCc1ccc([C@H](C)N[C@H](CC)C[C@H](C)O)o1 ZINC000866636019 589506731 /nfs/dbraw/zinc/50/67/31/589506731.db2.gz WBFUJFBUDGUWDL-SDDRHHMPSA-N 0 3 239.359 3.042 20 0 BGADHN CCc1ccc([C@H](C)N[C@@H](CC)C[C@H](C)O)o1 ZINC000866636021 589506576 /nfs/dbraw/zinc/50/65/76/589506576.db2.gz WBFUJFBUDGUWDL-SRVKXCTJSA-N 0 3 239.359 3.042 20 0 BGADHN CCc1ccc([C@H](C)N[C@@H](CC)C[C@@H](C)O)o1 ZINC000866636022 589506737 /nfs/dbraw/zinc/50/67/37/589506737.db2.gz WBFUJFBUDGUWDL-WOPDTQHZSA-N 0 3 239.359 3.042 20 0 BGADHN CCCCCCN1CCOc2cc(N)ccc2C1 ZINC000866691917 589512249 /nfs/dbraw/zinc/51/22/49/589512249.db2.gz RUZLGMHEFAFVED-UHFFFAOYSA-N 0 3 248.370 3.044 20 0 BGADHN CCCCC(=O)N1c2ccccc2[C@H](N)C1(C)C ZINC000867991682 589542742 /nfs/dbraw/zinc/54/27/42/589542742.db2.gz QFYMAFJYHIVURF-AWEZNQCLSA-N 0 3 246.354 3.002 20 0 BGADHN CCCCC(=O)N1c2ccccc2[C@@H](N)C1(C)C ZINC000867991683 589542748 /nfs/dbraw/zinc/54/27/48/589542748.db2.gz QFYMAFJYHIVURF-CQSZACIVSA-N 0 3 246.354 3.002 20 0 BGADHN CCNCc1nc(C)c(Cc2ccccc2)s1 ZINC000871597363 589769170 /nfs/dbraw/zinc/76/91/70/589769170.db2.gz LQRDNNYGIYSRKV-UHFFFAOYSA-N 0 3 246.379 3.152 20 0 BGADHN CC(C)OC1(CN[C@H](C)c2cccnc2)CCC1 ZINC000871933670 589834081 /nfs/dbraw/zinc/83/40/81/589834081.db2.gz VLYRBYJEGVTARM-CYBMUJFWSA-N 0 3 248.370 3.080 20 0 BGADHN CC(C)OC1(CN[C@@H](C)c2cccnc2)CCC1 ZINC000871933671 589833725 /nfs/dbraw/zinc/83/37/25/589833725.db2.gz VLYRBYJEGVTARM-ZDUSSCGKSA-N 0 3 248.370 3.080 20 0 BGADHN CC(C)OC1(CN[C@H](C)c2ccncc2)CCC1 ZINC000871936122 589834380 /nfs/dbraw/zinc/83/43/80/589834380.db2.gz XXXDLABTYQMNGU-CYBMUJFWSA-N 0 3 248.370 3.080 20 0 BGADHN CC(C)OC1(CN[C@@H](C)c2ccncc2)CCC1 ZINC000871936123 589834277 /nfs/dbraw/zinc/83/42/77/589834277.db2.gz XXXDLABTYQMNGU-ZDUSSCGKSA-N 0 3 248.370 3.080 20 0 BGADHN Cc1cc(-n2nc(C(F)F)cc2C2CC2)ccn1 ZINC000871958012 589844717 /nfs/dbraw/zinc/84/47/17/589844717.db2.gz ASQITYGOGLKRCA-UHFFFAOYSA-N 0 3 249.264 3.391 20 0 BGADHN CCC(CC)N[C@H](C)c1cc(O)ccc1F ZINC000872015913 589855886 /nfs/dbraw/zinc/85/58/86/589855886.db2.gz AKNGNMNORUKYRH-SECBINFHSA-N 0 3 225.307 3.371 20 0 BGADHN CCC(CC)N[C@@H](C)c1cc(O)ccc1F ZINC000872015915 589856039 /nfs/dbraw/zinc/85/60/39/589856039.db2.gz AKNGNMNORUKYRH-VIFPVBQESA-N 0 3 225.307 3.371 20 0 BGADHN CC[C@H](CCC(F)(F)F)NCc1ccco1 ZINC000872015932 589855962 /nfs/dbraw/zinc/85/59/62/589855962.db2.gz ANHCOCWBCCSCQO-SECBINFHSA-N 0 3 235.249 3.490 20 0 BGADHN CC[C@@H](CCC(F)(F)F)NCc1ccco1 ZINC000872015935 589856419 /nfs/dbraw/zinc/85/64/19/589856419.db2.gz ANHCOCWBCCSCQO-VIFPVBQESA-N 0 3 235.249 3.490 20 0 BGADHN CCC[C@@H](C)[NH2+][C@H](C)c1cccc([O-])c1F ZINC000872016189 589856116 /nfs/dbraw/zinc/85/61/16/589856116.db2.gz GXKXEJZQGBJHKT-NXEZZACHSA-N 0 3 225.307 3.371 20 0 BGADHN CCC[C@H](C)[NH2+][C@@H](C)c1cccc([O-])c1F ZINC000872016190 589855843 /nfs/dbraw/zinc/85/58/43/589855843.db2.gz GXKXEJZQGBJHKT-UWVGGRQHSA-N 0 3 225.307 3.371 20 0 BGADHN CCC[C@H](C)[NH2+][C@H](C)c1cccc([O-])c1F ZINC000872016192 589855982 /nfs/dbraw/zinc/85/59/82/589855982.db2.gz GXKXEJZQGBJHKT-VHSXEESVSA-N 0 3 225.307 3.371 20 0 BGADHN CCC[C@@H](C)[NH2+][C@@H](C)c1cccc([O-])c1F ZINC000872016194 589856198 /nfs/dbraw/zinc/85/61/98/589856198.db2.gz GXKXEJZQGBJHKT-ZJUUUORDSA-N 0 3 225.307 3.371 20 0 BGADHN CCC(CC)[NH2+][C@H](C)c1cccc([O-])c1F ZINC000872016556 589855960 /nfs/dbraw/zinc/85/59/60/589855960.db2.gz LGXWEKOMRWAUEK-SECBINFHSA-N 0 3 225.307 3.371 20 0 BGADHN CCC(CC)[NH2+][C@@H](C)c1cccc([O-])c1F ZINC000872016557 589855945 /nfs/dbraw/zinc/85/59/45/589855945.db2.gz LGXWEKOMRWAUEK-VIFPVBQESA-N 0 3 225.307 3.371 20 0 BGADHN C[C@@H](NC1CCCC1)c1cc(O)ccc1F ZINC000872016742 589856380 /nfs/dbraw/zinc/85/63/80/589856380.db2.gz OLZZBMODOSYZEE-SECBINFHSA-N 0 3 223.291 3.125 20 0 BGADHN C[C@H](NC1CCCC1)c1cc(O)ccc1F ZINC000872016743 589855874 /nfs/dbraw/zinc/85/58/74/589855874.db2.gz OLZZBMODOSYZEE-VIFPVBQESA-N 0 3 223.291 3.125 20 0 BGADHN CCC[C@@H](C)N[C@H](C)c1cc(O)ccc1F ZINC000872017237 589856390 /nfs/dbraw/zinc/85/63/90/589856390.db2.gz XHIWVZKKWZNNPE-NXEZZACHSA-N 0 3 225.307 3.371 20 0 BGADHN CCC[C@H](C)N[C@@H](C)c1cc(O)ccc1F ZINC000872017238 589855850 /nfs/dbraw/zinc/85/58/50/589855850.db2.gz XHIWVZKKWZNNPE-UWVGGRQHSA-N 0 3 225.307 3.371 20 0 BGADHN CCC[C@H](C)N[C@H](C)c1cc(O)ccc1F ZINC000872017239 589855030 /nfs/dbraw/zinc/85/50/30/589855030.db2.gz XHIWVZKKWZNNPE-VHSXEESVSA-N 0 3 225.307 3.371 20 0 BGADHN CCC[C@@H](C)N[C@@H](C)c1cc(O)ccc1F ZINC000872017240 589855376 /nfs/dbraw/zinc/85/53/76/589855376.db2.gz XHIWVZKKWZNNPE-ZJUUUORDSA-N 0 3 225.307 3.371 20 0 BGADHN C[C@@H]([NH2+]C1CCCC1)c1cccc([O-])c1F ZINC000872017288 589857116 /nfs/dbraw/zinc/85/71/16/589857116.db2.gz YTFHXAXTOANOCU-SECBINFHSA-N 0 3 223.291 3.125 20 0 BGADHN C[C@H]([NH2+]C1CCCC1)c1cccc([O-])c1F ZINC000872017289 589856814 /nfs/dbraw/zinc/85/68/14/589856814.db2.gz YTFHXAXTOANOCU-VIFPVBQESA-N 0 3 223.291 3.125 20 0 BGADHN CC(C)CC[NH2+][C@@H](C)c1cccc([O-])c1F ZINC000872017320 589857008 /nfs/dbraw/zinc/85/70/08/589857008.db2.gz ZEVQAZDBEUDPRW-JTQLQIEISA-N 0 3 225.307 3.228 20 0 BGADHN CC(C)CC[NH2+][C@H](C)c1cccc([O-])c1F ZINC000872017321 589855404 /nfs/dbraw/zinc/85/54/04/589855404.db2.gz ZEVQAZDBEUDPRW-SNVBAGLBSA-N 0 3 225.307 3.228 20 0 BGADHN C[C@H](NCCc1ccco1)c1cc(O)ccc1F ZINC000872017866 589856880 /nfs/dbraw/zinc/85/68/80/589856880.db2.gz GANXRZFNAXWXBE-JTQLQIEISA-N 0 3 249.285 3.018 20 0 BGADHN C[C@@H](NCCc1ccco1)c1cc(O)ccc1F ZINC000872017867 589856514 /nfs/dbraw/zinc/85/65/14/589856514.db2.gz GANXRZFNAXWXBE-SNVBAGLBSA-N 0 3 249.285 3.018 20 0 BGADHN CC[C@H](NCc1nccs1)C(C)(C)CC ZINC000872024136 589856870 /nfs/dbraw/zinc/85/68/70/589856870.db2.gz NXMCEVIEASVEET-JTQLQIEISA-N 0 3 226.389 3.448 20 0 BGADHN CC[C@@H](NCc1nccs1)C(C)(C)CC ZINC000872024137 589856843 /nfs/dbraw/zinc/85/68/43/589856843.db2.gz NXMCEVIEASVEET-SNVBAGLBSA-N 0 3 226.389 3.448 20 0 BGADHN C[C@@H]([NH2+]C[C@@H](C)C1CC1)c1cccc([O-])c1F ZINC000872026377 589857649 /nfs/dbraw/zinc/85/76/49/589857649.db2.gz ACVWFGBWPKAUAO-NXEZZACHSA-N 0 3 237.318 3.228 20 0 BGADHN C[C@@H](C[NH2+][C@@H](C)c1cccc([O-])c1F)C1CC1 ZINC000872026378 589857555 /nfs/dbraw/zinc/85/75/55/589857555.db2.gz ACVWFGBWPKAUAO-UWVGGRQHSA-N 0 3 237.318 3.228 20 0 BGADHN C[C@@H](C[NH2+][C@H](C)c1cccc([O-])c1F)C1CC1 ZINC000872026379 589857700 /nfs/dbraw/zinc/85/77/00/589857700.db2.gz ACVWFGBWPKAUAO-VHSXEESVSA-N 0 3 237.318 3.228 20 0 BGADHN C[C@H](C[NH2+][C@@H](C)c1cccc([O-])c1F)C1CC1 ZINC000872026380 636554026 /nfs/dbraw/zinc/55/40/26/636554026.db2.gz ACVWFGBWPKAUAO-ZJUUUORDSA-N 0 3 237.318 3.228 20 0 BGADHN C[C@@H](NC[C@@H](C)C1CC1)c1cc(O)ccc1F ZINC000872026417 589857371 /nfs/dbraw/zinc/85/73/71/589857371.db2.gz AMCQUPXMKJCOQH-NXEZZACHSA-N 0 3 237.318 3.228 20 0 BGADHN C[C@@H](CN[C@@H](C)c1cc(O)ccc1F)C1CC1 ZINC000872026418 589857640 /nfs/dbraw/zinc/85/76/40/589857640.db2.gz AMCQUPXMKJCOQH-UWVGGRQHSA-N 0 3 237.318 3.228 20 0 BGADHN C[C@@H](CN[C@H](C)c1cc(O)ccc1F)C1CC1 ZINC000872026419 589857270 /nfs/dbraw/zinc/85/72/70/589857270.db2.gz AMCQUPXMKJCOQH-VHSXEESVSA-N 0 3 237.318 3.228 20 0 BGADHN C[C@H](CN[C@@H](C)c1cc(O)ccc1F)C1CC1 ZINC000872026420 589857575 /nfs/dbraw/zinc/85/75/75/589857575.db2.gz AMCQUPXMKJCOQH-ZJUUUORDSA-N 0 3 237.318 3.228 20 0 BGADHN CC[C@@H](NCc1cscn1)C(C)(C)CC ZINC000872027043 589857509 /nfs/dbraw/zinc/85/75/09/589857509.db2.gz BPNFGQYRUXJBJH-LLVKDONJSA-N 0 3 226.389 3.448 20 0 BGADHN CC[C@H](NCc1cscn1)C(C)(C)CC ZINC000872027044 589852781 /nfs/dbraw/zinc/85/27/81/589852781.db2.gz BPNFGQYRUXJBJH-NSHDSACASA-N 0 3 226.389 3.448 20 0 BGADHN C[C@H]([NH2+]CC1CCCC1)c1cccc([O-])c1F ZINC000872029466 589857752 /nfs/dbraw/zinc/85/77/52/589857752.db2.gz XDTLPYUBEHKRTQ-JTQLQIEISA-N 0 3 237.318 3.372 20 0 BGADHN C[C@@H]([NH2+]CC1CCCC1)c1cccc([O-])c1F ZINC000872029467 589857853 /nfs/dbraw/zinc/85/78/53/589857853.db2.gz XDTLPYUBEHKRTQ-SNVBAGLBSA-N 0 3 237.318 3.372 20 0 BGADHN CC[C@@H](NCc1cc(C)no1)C(C)(C)CC ZINC000872034153 589858255 /nfs/dbraw/zinc/85/82/55/589858255.db2.gz LWSNRXPHQMCTRZ-GFCCVEGCSA-N 0 3 224.348 3.287 20 0 BGADHN CC[C@H](NCc1cc(C)no1)C(C)(C)CC ZINC000872034155 589858370 /nfs/dbraw/zinc/85/83/70/589858370.db2.gz LWSNRXPHQMCTRZ-LBPRGKRZSA-N 0 3 224.348 3.287 20 0 BGADHN C[C@@H]([NH2+][C@@H]1CC=CCC1)c1cccc([O-])c1F ZINC000872045423 589859993 /nfs/dbraw/zinc/85/99/93/589859993.db2.gz LRFYMWCVYIJVAW-GHMZBOCLSA-N 0 3 235.302 3.291 20 0 BGADHN C[C@@H]([NH2+][C@H]1CC=CCC1)c1cccc([O-])c1F ZINC000872045424 589860055 /nfs/dbraw/zinc/86/00/55/589860055.db2.gz LRFYMWCVYIJVAW-MNOVXSKESA-N 0 3 235.302 3.291 20 0 BGADHN C[C@H]([NH2+][C@H]1CC=CCC1)c1cccc([O-])c1F ZINC000872045425 589859622 /nfs/dbraw/zinc/85/96/22/589859622.db2.gz LRFYMWCVYIJVAW-QWRGUYRKSA-N 0 3 235.302 3.291 20 0 BGADHN C[C@H]([NH2+][C@@H]1CC=CCC1)c1cccc([O-])c1F ZINC000872045426 589860065 /nfs/dbraw/zinc/86/00/65/589860065.db2.gz LRFYMWCVYIJVAW-WDEREUQCSA-N 0 3 235.302 3.291 20 0 BGADHN C[C@@H](N[C@@H]1CC=CCC1)c1cc(O)ccc1F ZINC000872045547 589859705 /nfs/dbraw/zinc/85/97/05/589859705.db2.gz OHMCRGHRPBYYJP-GHMZBOCLSA-N 0 3 235.302 3.291 20 0 BGADHN C[C@@H](N[C@H]1CC=CCC1)c1cc(O)ccc1F ZINC000872045548 589860105 /nfs/dbraw/zinc/86/01/05/589860105.db2.gz OHMCRGHRPBYYJP-MNOVXSKESA-N 0 3 235.302 3.291 20 0 BGADHN C[C@H](N[C@H]1CC=CCC1)c1cc(O)ccc1F ZINC000872045549 589859889 /nfs/dbraw/zinc/85/98/89/589859889.db2.gz OHMCRGHRPBYYJP-QWRGUYRKSA-N 0 3 235.302 3.291 20 0 BGADHN C[C@H](N[C@@H]1CC=CCC1)c1cc(O)ccc1F ZINC000872045550 589859752 /nfs/dbraw/zinc/85/97/52/589859752.db2.gz OHMCRGHRPBYYJP-WDEREUQCSA-N 0 3 235.302 3.291 20 0 BGADHN C[C@H]([NH2+]CCCC1CC1)c1cccc([O-])c1F ZINC000872046296 589860867 /nfs/dbraw/zinc/86/08/67/589860867.db2.gz WGOQZIHPPIFNLE-JTQLQIEISA-N 0 3 237.318 3.372 20 0 BGADHN C[C@@H]([NH2+]CCCC1CC1)c1cccc([O-])c1F ZINC000872046297 589860486 /nfs/dbraw/zinc/86/04/86/589860486.db2.gz WGOQZIHPPIFNLE-SNVBAGLBSA-N 0 3 237.318 3.372 20 0 BGADHN C[C@H]([NH2+][C@@H]1CCC[C@@H]1C)c1cccc([O-])c1F ZINC000872046363 589860731 /nfs/dbraw/zinc/86/07/31/589860731.db2.gz GKZGKUCOWQPNSC-JBLDHEPKSA-N 0 3 237.318 3.371 20 0 BGADHN C[C@H]([NH2+][C@@H]1CCC[C@H]1C)c1cccc([O-])c1F ZINC000872046365 589860728 /nfs/dbraw/zinc/86/07/28/589860728.db2.gz GKZGKUCOWQPNSC-JFGNBEQYSA-N 0 3 237.318 3.371 20 0 BGADHN C[C@H]([NH2+][C@H]1CCC[C@@H]1C)c1cccc([O-])c1F ZINC000872046367 589860630 /nfs/dbraw/zinc/86/06/30/589860630.db2.gz GKZGKUCOWQPNSC-NHCYSSNCSA-N 0 3 237.318 3.371 20 0 BGADHN C[C@H]([NH2+][C@H]1CCC[C@H]1C)c1cccc([O-])c1F ZINC000872046369 589860517 /nfs/dbraw/zinc/86/05/17/589860517.db2.gz GKZGKUCOWQPNSC-SCVCMEIPSA-N 0 3 237.318 3.371 20 0 BGADHN CCC1(C[NH2+][C@@H](C)c2cccc([O-])c2F)CC1 ZINC000872046986 589860308 /nfs/dbraw/zinc/86/03/08/589860308.db2.gz AVQYWXFAVNFJDN-JTQLQIEISA-N 0 3 237.318 3.372 20 0 BGADHN CCC1(C[NH2+][C@H](C)c2cccc([O-])c2F)CC1 ZINC000872046987 589860696 /nfs/dbraw/zinc/86/06/96/589860696.db2.gz AVQYWXFAVNFJDN-SNVBAGLBSA-N 0 3 237.318 3.372 20 0 BGADHN C[C@H]([NH2+]CCC1CCC1)c1cccc([O-])c1F ZINC000872048863 589860302 /nfs/dbraw/zinc/86/03/02/589860302.db2.gz NBDUSBSBNWTSJD-JTQLQIEISA-N 0 3 237.318 3.372 20 0 BGADHN C[C@@H]([NH2+]CCC1CCC1)c1cccc([O-])c1F ZINC000872048864 589860725 /nfs/dbraw/zinc/86/07/25/589860725.db2.gz NBDUSBSBNWTSJD-SNVBAGLBSA-N 0 3 237.318 3.372 20 0 BGADHN C[C@H]([NH2+]CC1(C)CCC1)c1cccc([O-])c1F ZINC000872050346 589860709 /nfs/dbraw/zinc/86/07/09/589860709.db2.gz YYJVBMSCEDFZOH-JTQLQIEISA-N 0 3 237.318 3.372 20 0 BGADHN C[C@@H]([NH2+]CC1(C)CCC1)c1cccc([O-])c1F ZINC000872050347 589860700 /nfs/dbraw/zinc/86/07/00/589860700.db2.gz YYJVBMSCEDFZOH-SNVBAGLBSA-N 0 3 237.318 3.372 20 0 BGADHN C[C@H]([NH2+]CC1(C2CC2)CC1)c1cccc([O-])c1F ZINC000872050612 589861106 /nfs/dbraw/zinc/86/11/06/589861106.db2.gz ABYZWGXTKGVNGD-JTQLQIEISA-N 0 3 249.329 3.372 20 0 BGADHN C[C@@H]([NH2+]CC1(C2CC2)CC1)c1cccc([O-])c1F ZINC000872050613 589861325 /nfs/dbraw/zinc/86/13/25/589861325.db2.gz ABYZWGXTKGVNGD-SNVBAGLBSA-N 0 3 249.329 3.372 20 0 BGADHN C[C@@H]([NH2+][C@H](C)C1CCC1)c1cccc([O-])c1F ZINC000872050932 589861342 /nfs/dbraw/zinc/86/13/42/589861342.db2.gz GEGMEURPVBGIKS-NXEZZACHSA-N 0 3 237.318 3.371 20 0 BGADHN C[C@H]([NH2+][C@@H](C)C1CCC1)c1cccc([O-])c1F ZINC000872050933 589861571 /nfs/dbraw/zinc/86/15/71/589861571.db2.gz GEGMEURPVBGIKS-UWVGGRQHSA-N 0 3 237.318 3.371 20 0 BGADHN C[C@@H]([NH2+][C@@H](C)C1CCC1)c1cccc([O-])c1F ZINC000872050934 589861098 /nfs/dbraw/zinc/86/10/98/589861098.db2.gz GEGMEURPVBGIKS-VHSXEESVSA-N 0 3 237.318 3.371 20 0 BGADHN C[C@@H]([NH2+][C@@H](C)c1cccc([O-])c1F)C1CCC1 ZINC000872050935 589861129 /nfs/dbraw/zinc/86/11/29/589861129.db2.gz GEGMEURPVBGIKS-ZJUUUORDSA-N 0 3 237.318 3.371 20 0 BGADHN CC[C@@H](NCc1cc(C)ncn1)C(C)(C)CC ZINC000872051772 589861491 /nfs/dbraw/zinc/86/14/91/589861491.db2.gz NBULBFFBZVETON-CYBMUJFWSA-N 0 3 235.375 3.089 20 0 BGADHN CC[C@H](NCc1cc(C)ncn1)C(C)(C)CC ZINC000872051773 589861055 /nfs/dbraw/zinc/86/10/55/589861055.db2.gz NBULBFFBZVETON-ZDUSSCGKSA-N 0 3 235.375 3.089 20 0 BGADHN C[C@@H](N[C@H](C)C1CCC1)c1cc(O)ccc1F ZINC000872052127 589861479 /nfs/dbraw/zinc/86/14/79/589861479.db2.gz POXOVYASIOUDIC-NXEZZACHSA-N 0 3 237.318 3.371 20 0 BGADHN C[C@H](N[C@@H](C)C1CCC1)c1cc(O)ccc1F ZINC000872052128 589861443 /nfs/dbraw/zinc/86/14/43/589861443.db2.gz POXOVYASIOUDIC-UWVGGRQHSA-N 0 3 237.318 3.371 20 0 BGADHN C[C@@H](N[C@@H](C)C1CCC1)c1cc(O)ccc1F ZINC000872052129 589861576 /nfs/dbraw/zinc/86/15/76/589861576.db2.gz POXOVYASIOUDIC-VHSXEESVSA-N 0 3 237.318 3.371 20 0 BGADHN C[C@@H](N[C@@H](C)c1cc(O)ccc1F)C1CCC1 ZINC000872052130 589861196 /nfs/dbraw/zinc/86/11/96/589861196.db2.gz POXOVYASIOUDIC-ZJUUUORDSA-N 0 3 237.318 3.371 20 0 BGADHN C[C@H](NCC1(C2CC2)CC1)c1cc(O)ccc1F ZINC000872052225 589861174 /nfs/dbraw/zinc/86/11/74/589861174.db2.gz MKWDOZZSEMHTKL-JTQLQIEISA-N 0 3 249.329 3.372 20 0 BGADHN C[C@@H](NCC1(C2CC2)CC1)c1cc(O)ccc1F ZINC000872052226 589861069 /nfs/dbraw/zinc/86/10/69/589861069.db2.gz MKWDOZZSEMHTKL-SNVBAGLBSA-N 0 3 249.329 3.372 20 0 BGADHN C[C@@H]([NH2+]C1(C2CC2)CC1)c1cccc([O-])c1F ZINC000872054892 589862010 /nfs/dbraw/zinc/86/20/10/589862010.db2.gz DEXTVBVFNXHBTE-SECBINFHSA-N 0 3 235.302 3.125 20 0 BGADHN C[C@H]([NH2+]C1(C2CC2)CC1)c1cccc([O-])c1F ZINC000872054893 589862078 /nfs/dbraw/zinc/86/20/78/589862078.db2.gz DEXTVBVFNXHBTE-VIFPVBQESA-N 0 3 235.302 3.125 20 0 BGADHN C[C@@H](NC1(C2CC2)CC1)c1cc(O)ccc1F ZINC000872055890 589861715 /nfs/dbraw/zinc/86/17/15/589861715.db2.gz NEODLVKMFRWJEY-SECBINFHSA-N 0 3 235.302 3.125 20 0 BGADHN C[C@H](NC1(C2CC2)CC1)c1cc(O)ccc1F ZINC000872055891 583944997 /nfs/dbraw/zinc/94/49/97/583944997.db2.gz NEODLVKMFRWJEY-VIFPVBQESA-N 0 3 235.302 3.125 20 0 BGADHN C[C@@H](N[C@H](C)C1(C)CC1)c1cc(O)ccc1F ZINC000872055944 589862014 /nfs/dbraw/zinc/86/20/14/589862014.db2.gz MRQGWVPOOBKTEN-NXEZZACHSA-N 0 3 237.318 3.371 20 0 BGADHN C[C@H](N[C@@H](C)C1(C)CC1)c1cc(O)ccc1F ZINC000872055945 589861952 /nfs/dbraw/zinc/86/19/52/589861952.db2.gz MRQGWVPOOBKTEN-UWVGGRQHSA-N 0 3 237.318 3.371 20 0 BGADHN C[C@@H](N[C@@H](C)c1cc(O)ccc1F)C1(C)CC1 ZINC000872055946 589862189 /nfs/dbraw/zinc/86/21/89/589862189.db2.gz MRQGWVPOOBKTEN-VHSXEESVSA-N 0 3 237.318 3.371 20 0 BGADHN C[C@@H](N[C@@H](C)C1(C)CC1)c1cc(O)ccc1F ZINC000872055947 589862296 /nfs/dbraw/zinc/86/22/96/589862296.db2.gz MRQGWVPOOBKTEN-ZJUUUORDSA-N 0 3 237.318 3.371 20 0 BGADHN C[C@@H]([NH2+][C@H](C)C1(C)CC1)c1cccc([O-])c1F ZINC000872057456 589862057 /nfs/dbraw/zinc/86/20/57/589862057.db2.gz YGWYOGBYNUFXFY-NXEZZACHSA-N 0 3 237.318 3.371 20 0 BGADHN C[C@H]([NH2+][C@@H](C)C1(C)CC1)c1cccc([O-])c1F ZINC000872057459 589862251 /nfs/dbraw/zinc/86/22/51/589862251.db2.gz YGWYOGBYNUFXFY-UWVGGRQHSA-N 0 3 237.318 3.371 20 0 BGADHN C[C@@H]([NH2+][C@@H](C)c1cccc([O-])c1F)C1(C)CC1 ZINC000872057460 589862288 /nfs/dbraw/zinc/86/22/88/589862288.db2.gz YGWYOGBYNUFXFY-VHSXEESVSA-N 0 3 237.318 3.371 20 0 BGADHN C[C@@H]([NH2+][C@@H](C)C1(C)CC1)c1cccc([O-])c1F ZINC000872057461 589862184 /nfs/dbraw/zinc/86/21/84/589862184.db2.gz YGWYOGBYNUFXFY-ZJUUUORDSA-N 0 3 237.318 3.371 20 0 BGADHN CC[C@H](NCc1nnc(C)s1)C(C)(C)CC ZINC000872061049 589862951 /nfs/dbraw/zinc/86/29/51/589862951.db2.gz VENPETHGVWUAEG-JTQLQIEISA-N 0 3 241.404 3.151 20 0 BGADHN CC[C@@H](NCc1nnc(C)s1)C(C)(C)CC ZINC000872061050 589862935 /nfs/dbraw/zinc/86/29/35/589862935.db2.gz VENPETHGVWUAEG-SNVBAGLBSA-N 0 3 241.404 3.151 20 0 BGADHN C[C@@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1cccc([O-])c1F ZINC000872064667 589863578 /nfs/dbraw/zinc/86/35/78/589863578.db2.gz JJCPJWDCIBBCMA-GMTAPVOTSA-N 0 3 237.318 3.371 20 0 BGADHN C[C@@H]([NH2+][C@H]1CC[C@@H](C)C1)c1cccc([O-])c1F ZINC000872064668 589863238 /nfs/dbraw/zinc/86/32/38/589863238.db2.gz JJCPJWDCIBBCMA-MXWKQRLJSA-N 0 3 237.318 3.371 20 0 BGADHN C[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1cccc([O-])c1F ZINC000872064669 589863528 /nfs/dbraw/zinc/86/35/28/589863528.db2.gz JJCPJWDCIBBCMA-OUAUKWLOSA-N 0 3 237.318 3.371 20 0 BGADHN C[C@H]([NH2+][C@H]1CC[C@@H](C)C1)c1cccc([O-])c1F ZINC000872064670 589863477 /nfs/dbraw/zinc/86/34/77/589863477.db2.gz JJCPJWDCIBBCMA-VWYCJHECSA-N 0 3 237.318 3.371 20 0 BGADHN C[C@H]([NH2+]CCC1(C)CC1)c1cccc([O-])c1F ZINC000872068562 589863851 /nfs/dbraw/zinc/86/38/51/589863851.db2.gz XXRQGSLVCFVTNA-JTQLQIEISA-N 0 3 237.318 3.372 20 0 BGADHN C[C@@H]([NH2+]CCC1(C)CC1)c1cccc([O-])c1F ZINC000872068564 589864129 /nfs/dbraw/zinc/86/41/29/589864129.db2.gz XXRQGSLVCFVTNA-SNVBAGLBSA-N 0 3 237.318 3.372 20 0 BGADHN C[C@@H]([NH2+][C@@H]1CCC1(C)C)c1cccc([O-])c1F ZINC000872071555 589863905 /nfs/dbraw/zinc/86/39/05/589863905.db2.gz RFMYPCXNABADDB-BXKDBHETSA-N 0 3 237.318 3.371 20 0 BGADHN C[C@H]([NH2+][C@H]1CCC1(C)C)c1cccc([O-])c1F ZINC000872071556 589864406 /nfs/dbraw/zinc/86/44/06/589864406.db2.gz RFMYPCXNABADDB-CABZTGNLSA-N 0 3 237.318 3.371 20 0 BGADHN C[C@H]([NH2+][C@@H]1CCC1(C)C)c1cccc([O-])c1F ZINC000872071557 589863997 /nfs/dbraw/zinc/86/39/97/589863997.db2.gz RFMYPCXNABADDB-JOYOIKCWSA-N 0 3 237.318 3.371 20 0 BGADHN C[C@@H]([NH2+][C@H]1CCC1(C)C)c1cccc([O-])c1F ZINC000872071558 589864077 /nfs/dbraw/zinc/86/40/77/589864077.db2.gz RFMYPCXNABADDB-SKDRFNHKSA-N 0 3 237.318 3.371 20 0 BGADHN CC(C)C1([NH2+][C@@H](C)c2cccc([O-])c2F)CC1 ZINC000872071997 589864161 /nfs/dbraw/zinc/86/41/61/589864161.db2.gz BKVXZFNEZQZOPB-JTQLQIEISA-N 0 3 237.318 3.371 20 0 BGADHN CC(C)C1([NH2+][C@H](C)c2cccc([O-])c2F)CC1 ZINC000872071998 589863914 /nfs/dbraw/zinc/86/39/14/589863914.db2.gz BKVXZFNEZQZOPB-SNVBAGLBSA-N 0 3 237.318 3.371 20 0 BGADHN CC(C)C1(N[C@@H](C)c2cc(O)ccc2F)CC1 ZINC000872072043 589864343 /nfs/dbraw/zinc/86/43/43/589864343.db2.gz CHBHKZHKUGJJDN-JTQLQIEISA-N 0 3 237.318 3.371 20 0 BGADHN CC(C)C1(N[C@H](C)c2cc(O)ccc2F)CC1 ZINC000872072044 589864396 /nfs/dbraw/zinc/86/43/96/589864396.db2.gz CHBHKZHKUGJJDN-SNVBAGLBSA-N 0 3 237.318 3.371 20 0 BGADHN C[C@@H](NCCC(C)(F)F)c1cccc(O)c1F ZINC000872072105 589864226 /nfs/dbraw/zinc/86/42/26/589864226.db2.gz DZXRTYJBEFKXDN-MRVPVSSYSA-N 0 3 247.260 3.227 20 0 BGADHN C[C@H](NCCC(C)(F)F)c1cccc(O)c1F ZINC000872072106 589863890 /nfs/dbraw/zinc/86/38/90/589863890.db2.gz DZXRTYJBEFKXDN-QMMMGPOBSA-N 0 3 247.260 3.227 20 0 BGADHN CC[C@@H](NCc1snnc1C)C(C)(C)CC ZINC000872072814 589864853 /nfs/dbraw/zinc/86/48/53/589864853.db2.gz KGXQFMALECQTTR-LLVKDONJSA-N 0 3 241.404 3.151 20 0 BGADHN CC[C@H](NCc1snnc1C)C(C)(C)CC ZINC000872072816 589864700 /nfs/dbraw/zinc/86/47/00/589864700.db2.gz KGXQFMALECQTTR-NSHDSACASA-N 0 3 241.404 3.151 20 0 BGADHN CC[C@H](N[C@@H]1CCn2ccnc21)C(C)(C)CC ZINC000872074342 589865186 /nfs/dbraw/zinc/86/51/86/589865186.db2.gz DCVRHWBVLKOMRE-NEPJUHHUSA-N 0 3 235.375 3.132 20 0 BGADHN CC[C@@H](N[C@H]1CCn2ccnc21)C(C)(C)CC ZINC000872074344 589864764 /nfs/dbraw/zinc/86/47/64/589864764.db2.gz DCVRHWBVLKOMRE-NWDGAFQWSA-N 0 3 235.375 3.132 20 0 BGADHN CC[C@H](N[C@H]1CCn2ccnc21)C(C)(C)CC ZINC000872074346 589865050 /nfs/dbraw/zinc/86/50/50/589865050.db2.gz DCVRHWBVLKOMRE-RYUDHWBXSA-N 0 3 235.375 3.132 20 0 BGADHN CC[C@@H](N[C@@H]1CCn2ccnc21)C(C)(C)CC ZINC000872074348 589864738 /nfs/dbraw/zinc/86/47/38/589864738.db2.gz DCVRHWBVLKOMRE-VXGBXAGGSA-N 0 3 235.375 3.132 20 0 BGADHN C[C@H]1C[C@H](N[C@H]2CCn3ccnc32)CC(C)(C)C1 ZINC000872074378 589865215 /nfs/dbraw/zinc/86/52/15/589865215.db2.gz DIZPZUBFVVXOBL-AVGNSLFASA-N 0 3 247.386 3.132 20 0 BGADHN C[C@H]1C[C@H](N[C@@H]2CCn3ccnc32)CC(C)(C)C1 ZINC000872074380 589865096 /nfs/dbraw/zinc/86/50/96/589865096.db2.gz DIZPZUBFVVXOBL-RWMBFGLXSA-N 0 3 247.386 3.132 20 0 BGADHN C[C@H]1C[C@@H](N[C@H]2CCn3ccnc32)CC(C)(C)C1 ZINC000872074382 589865161 /nfs/dbraw/zinc/86/51/61/589865161.db2.gz DIZPZUBFVVXOBL-XQQFMLRXSA-N 0 3 247.386 3.132 20 0 BGADHN C[C@H]1C[C@@H](N[C@@H]2CCn3ccnc32)CC(C)(C)C1 ZINC000872074384 589864672 /nfs/dbraw/zinc/86/46/72/589864672.db2.gz DIZPZUBFVVXOBL-YNEHKIRRSA-N 0 3 247.386 3.132 20 0 BGADHN CCC1([NH2+][C@H](C)c2cccc([O-])c2F)CC1 ZINC000872075028 589864860 /nfs/dbraw/zinc/86/48/60/589864860.db2.gz MPHSYDKRTJWPIT-SECBINFHSA-N 0 3 223.291 3.125 20 0 BGADHN CCC1([NH2+][C@@H](C)c2cccc([O-])c2F)CC1 ZINC000872075029 589864789 /nfs/dbraw/zinc/86/47/89/589864789.db2.gz MPHSYDKRTJWPIT-VIFPVBQESA-N 0 3 223.291 3.125 20 0 BGADHN CCC1(N[C@H](C)c2cc(O)ccc2F)CC1 ZINC000872075172 589864835 /nfs/dbraw/zinc/86/48/35/589864835.db2.gz PGWQOEWNKSREQM-SECBINFHSA-N 0 3 223.291 3.125 20 0 BGADHN CCC1(N[C@@H](C)c2cc(O)ccc2F)CC1 ZINC000872075173 589865156 /nfs/dbraw/zinc/86/51/56/589865156.db2.gz PGWQOEWNKSREQM-VIFPVBQESA-N 0 3 223.291 3.125 20 0 BGADHN CC[C@@H](NCc1nccn1CC)C(C)(C)CC ZINC000872075623 589864691 /nfs/dbraw/zinc/86/46/91/589864691.db2.gz SDVXHDWMIBXUIU-GFCCVEGCSA-N 0 3 237.391 3.207 20 0 BGADHN CC[C@H](NCc1nccn1CC)C(C)(C)CC ZINC000872075624 589864806 /nfs/dbraw/zinc/86/48/06/589864806.db2.gz SDVXHDWMIBXUIU-LBPRGKRZSA-N 0 3 237.391 3.207 20 0 BGADHN CC[C@@H]1C[C@H]1C[NH2+][C@@H](C)c1cccc([O-])c1F ZINC000872076894 589865599 /nfs/dbraw/zinc/86/55/99/589865599.db2.gz UXDRNVJJHFVQMI-AXFHLTTASA-N 0 3 237.318 3.228 20 0 BGADHN CC[C@@H]1C[C@H]1C[NH2+][C@H](C)c1cccc([O-])c1F ZINC000872076895 589865386 /nfs/dbraw/zinc/86/53/86/589865386.db2.gz UXDRNVJJHFVQMI-MXWKQRLJSA-N 0 3 237.318 3.228 20 0 BGADHN C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)c1cccc([O-])c1F ZINC000872077167 589865643 /nfs/dbraw/zinc/86/56/43/589865643.db2.gz BFWAKBGLKWNZCD-CDMKHQONSA-N 0 3 249.329 3.228 20 0 BGADHN C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)c1cccc([O-])c1F ZINC000872077168 589865840 /nfs/dbraw/zinc/86/58/40/589865840.db2.gz BFWAKBGLKWNZCD-GAFUQQFSSA-N 0 3 249.329 3.228 20 0 BGADHN CC[C@@H](NCc1ccn(CC)n1)C(C)(C)CC ZINC000872077728 583945390 /nfs/dbraw/zinc/94/53/90/583945390.db2.gz AHDGNFANUHRNLI-CYBMUJFWSA-N 0 3 237.391 3.207 20 0 BGADHN CC[C@H](NCc1ccn(CC)n1)C(C)(C)CC ZINC000872077729 583945314 /nfs/dbraw/zinc/94/53/14/583945314.db2.gz AHDGNFANUHRNLI-ZDUSSCGKSA-N 0 3 237.391 3.207 20 0 BGADHN C[C@H](NC[C@@H]1C[C@H]1C1CC1)c1cc(O)ccc1F ZINC000872079192 589865494 /nfs/dbraw/zinc/86/54/94/589865494.db2.gz WJDLNUHCAJJWAC-CHIMOYNISA-N 0 3 249.329 3.228 20 0 BGADHN C[C@@H](NC[C@@H]1C[C@H]1C1CC1)c1cc(O)ccc1F ZINC000872079193 589865481 /nfs/dbraw/zinc/86/54/81/589865481.db2.gz WJDLNUHCAJJWAC-PUYPPJJSSA-N 0 3 249.329 3.228 20 0 BGADHN C[C@H](N[C@H]1CCC[C@@H]2C[C@@H]21)c1cc(O)ccc1F ZINC000872079383 589865623 /nfs/dbraw/zinc/86/56/23/589865623.db2.gz MLXWAIXTVXGTOE-FJHTZYQYSA-N 0 3 249.329 3.371 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@@H]2C[C@@H]21)c1cc(O)ccc1F ZINC000872079384 589865620 /nfs/dbraw/zinc/86/56/20/589865620.db2.gz MLXWAIXTVXGTOE-FMRSBHEDSA-N 0 3 249.329 3.371 20 0 BGADHN C[C@@H](N[C@@H]1CCC[C@@H]2C[C@@H]21)c1cc(O)ccc1F ZINC000872079401 589865373 /nfs/dbraw/zinc/86/53/73/589865373.db2.gz MLXWAIXTVXGTOE-FRWLMAKKSA-N 0 3 249.329 3.371 20 0 BGADHN C[C@@H](N[C@H]1CCC[C@@H]2C[C@@H]21)c1cc(O)ccc1F ZINC000872079402 589865744 /nfs/dbraw/zinc/86/57/44/589865744.db2.gz MLXWAIXTVXGTOE-NRWDQBFYSA-N 0 3 249.329 3.371 20 0 BGADHN C[C@@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1cccc([O-])c1F ZINC000872080753 589866242 /nfs/dbraw/zinc/86/62/42/589866242.db2.gz ZGDOBCJDGMXVNI-AAXDQBDMSA-N 0 3 249.329 3.371 20 0 BGADHN C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1cccc([O-])c1F ZINC000872080754 589866332 /nfs/dbraw/zinc/86/63/32/589866332.db2.gz ZGDOBCJDGMXVNI-JULQROHOSA-N 0 3 249.329 3.371 20 0 BGADHN C[C@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1cccc([O-])c1F ZINC000872080755 589866511 /nfs/dbraw/zinc/86/65/11/589866511.db2.gz ZGDOBCJDGMXVNI-LFSVMHDDSA-N 0 3 249.329 3.371 20 0 BGADHN C[C@@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1cccc([O-])c1F ZINC000872080756 589866066 /nfs/dbraw/zinc/86/60/66/589866066.db2.gz ZGDOBCJDGMXVNI-VCDKRKBESA-N 0 3 249.329 3.371 20 0 BGADHN C[C@H]([NH2+][C@@H]1CC[C@H]2C[C@H]2C1)c1cccc([O-])c1F ZINC000872080820 589866529 /nfs/dbraw/zinc/86/65/29/589866529.db2.gz CCLMHCXMOUQYIW-FIQHERPVSA-N 0 3 249.329 3.371 20 0 BGADHN C[C@H]([NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1)c1cccc([O-])c1F ZINC000872080822 589866535 /nfs/dbraw/zinc/86/65/35/589866535.db2.gz CCLMHCXMOUQYIW-IRCOFANPSA-N 0 3 249.329 3.371 20 0 BGADHN C[C@@H]([NH2+][C@@H]1C[C@H]1C1CCC1)c1cccc([O-])c1F ZINC000872082132 589866376 /nfs/dbraw/zinc/86/63/76/589866376.db2.gz PWTFSWSDXUGTEB-JIMOISOXSA-N 0 3 249.329 3.371 20 0 BGADHN C[C@H]([NH2+][C@@H]1C[C@H]1C1CCC1)c1cccc([O-])c1F ZINC000872082133 589866547 /nfs/dbraw/zinc/86/65/47/589866547.db2.gz PWTFSWSDXUGTEB-TVYUQYBPSA-N 0 3 249.329 3.371 20 0 BGADHN C[C@H](N[C@@H]1CC[C@H]2C[C@H]2C1)c1cc(O)ccc1F ZINC000872082662 589866344 /nfs/dbraw/zinc/86/63/44/589866344.db2.gz ZHUHNZURQAYMDP-FIQHERPVSA-N 0 3 249.329 3.371 20 0 BGADHN C[C@H](N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cc(O)ccc1F ZINC000872082663 589866231 /nfs/dbraw/zinc/86/62/31/589866231.db2.gz ZHUHNZURQAYMDP-IRCOFANPSA-N 0 3 249.329 3.371 20 0 BGADHN C[C@@H](NCCC(C)(C)F)c1cc(O)ccc1F ZINC000872084780 589866886 /nfs/dbraw/zinc/86/68/86/589866886.db2.gz IGFDYBWOPDQTQQ-SECBINFHSA-N 0 3 243.297 3.320 20 0 BGADHN C[C@H](NCCC(C)(C)F)c1cc(O)ccc1F ZINC000872084782 589866738 /nfs/dbraw/zinc/86/67/38/589866738.db2.gz IGFDYBWOPDQTQQ-VIFPVBQESA-N 0 3 243.297 3.320 20 0 BGADHN C[C@H]([NH2+]CCc1ccoc1)c1cccc([O-])c1F ZINC000872085106 589866987 /nfs/dbraw/zinc/86/69/87/589866987.db2.gz KHNGMIINCGJMCP-JTQLQIEISA-N 0 3 249.285 3.018 20 0 BGADHN C[C@@H]([NH2+]CCc1ccoc1)c1cccc([O-])c1F ZINC000872085107 589867030 /nfs/dbraw/zinc/86/70/30/589867030.db2.gz KHNGMIINCGJMCP-SNVBAGLBSA-N 0 3 249.285 3.018 20 0 BGADHN CC[C@@H](N[C@@H](C)c1cc(O)ccc1F)C1CC1 ZINC000872085928 589867277 /nfs/dbraw/zinc/86/72/77/589867277.db2.gz QPOCISNLFMDJKL-LKFCYVNXSA-N 0 3 237.318 3.371 20 0 BGADHN CC[C@H](N[C@H](C)c1cc(O)ccc1F)C1CC1 ZINC000872085929 589867220 /nfs/dbraw/zinc/86/72/20/589867220.db2.gz QPOCISNLFMDJKL-OTYXRUKQSA-N 0 3 237.318 3.371 20 0 BGADHN CC[C@H](N[C@@H](C)c1cc(O)ccc1F)C1CC1 ZINC000872085930 589866927 /nfs/dbraw/zinc/86/69/27/589866927.db2.gz QPOCISNLFMDJKL-XPTSAGLGSA-N 0 3 237.318 3.371 20 0 BGADHN CC[C@@H](N[C@H](C)c1cc(O)ccc1F)C1CC1 ZINC000872085931 589867271 /nfs/dbraw/zinc/86/72/71/589867271.db2.gz QPOCISNLFMDJKL-YMTOWFKASA-N 0 3 237.318 3.371 20 0 BGADHN CC[C@@H]([NH2+][C@H](C)c1cccc([O-])c1F)C1CC1 ZINC000872086285 583946052 /nfs/dbraw/zinc/94/60/52/583946052.db2.gz TYKYEEYLPUUQTH-BXKDBHETSA-N 0 3 237.318 3.371 20 0 BGADHN CC[C@H]([NH2+][C@@H](C)c1cccc([O-])c1F)C1CC1 ZINC000872086289 583945796 /nfs/dbraw/zinc/94/57/96/583945796.db2.gz TYKYEEYLPUUQTH-CABZTGNLSA-N 0 3 237.318 3.371 20 0 BGADHN CC[C@@H]([NH2+][C@@H](C)c1cccc([O-])c1F)C1CC1 ZINC000872086290 583946017 /nfs/dbraw/zinc/94/60/17/583946017.db2.gz TYKYEEYLPUUQTH-JOYOIKCWSA-N 0 3 237.318 3.371 20 0 BGADHN CC[C@H]([NH2+][C@H](C)c1cccc([O-])c1F)C1CC1 ZINC000872086291 583945954 /nfs/dbraw/zinc/94/59/54/583945954.db2.gz TYKYEEYLPUUQTH-SKDRFNHKSA-N 0 3 237.318 3.371 20 0 BGADHN C[C@H](NCCc1ccoc1)c1cc(O)ccc1F ZINC000872086298 589867416 /nfs/dbraw/zinc/86/74/16/589867416.db2.gz UARPXKZKIZXYHQ-JTQLQIEISA-N 0 3 249.285 3.018 20 0 BGADHN C[C@@H](NCCc1ccoc1)c1cc(O)ccc1F ZINC000872086299 589867560 /nfs/dbraw/zinc/86/75/60/589867560.db2.gz UARPXKZKIZXYHQ-SNVBAGLBSA-N 0 3 249.285 3.018 20 0 BGADHN C[C@@H]([NH2+]CCC(C)(C)F)c1cccc([O-])c1F ZINC000872086770 589867859 /nfs/dbraw/zinc/86/78/59/589867859.db2.gz ZHEMUCWORGLFBW-SECBINFHSA-N 0 3 243.297 3.320 20 0 BGADHN C[C@H]([NH2+]CCC(C)(C)F)c1cccc([O-])c1F ZINC000872086773 589867377 /nfs/dbraw/zinc/86/73/77/589867377.db2.gz ZHEMUCWORGLFBW-VIFPVBQESA-N 0 3 243.297 3.320 20 0 BGADHN C[C@H](NCC1CC=CC1)c1cc(O)ccc1F ZINC000872086963 589867833 /nfs/dbraw/zinc/86/78/33/589867833.db2.gz CVAFSAFTVJHLBB-JTQLQIEISA-N 0 3 235.302 3.148 20 0 BGADHN C[C@@H](NCC1CC=CC1)c1cc(O)ccc1F ZINC000872086966 589867448 /nfs/dbraw/zinc/86/74/48/589867448.db2.gz CVAFSAFTVJHLBB-SNVBAGLBSA-N 0 3 235.302 3.148 20 0 BGADHN C[C@H]([NH2+]CC1CC=CC1)c1cccc([O-])c1F ZINC000872087480 589867665 /nfs/dbraw/zinc/86/76/65/589867665.db2.gz IRKMXSAQZXKKMB-JTQLQIEISA-N 0 3 235.302 3.148 20 0 BGADHN C[C@@H]([NH2+]CC1CC=CC1)c1cccc([O-])c1F ZINC000872087481 589867889 /nfs/dbraw/zinc/86/78/89/589867889.db2.gz IRKMXSAQZXKKMB-SNVBAGLBSA-N 0 3 235.302 3.148 20 0 BGADHN C[C@@H]([NH2+]CC1CC(C)C1)c1cccc([O-])c1F ZINC000872087760 589867771 /nfs/dbraw/zinc/86/77/71/589867771.db2.gz LIGXNESJKDGYSJ-HSOILSAZSA-N 0 3 237.318 3.228 20 0 BGADHN C[C@H]([NH2+]CC1CC(C)C1)c1cccc([O-])c1F ZINC000872087761 589867740 /nfs/dbraw/zinc/86/77/40/589867740.db2.gz LIGXNESJKDGYSJ-YVNMAJEFSA-N 0 3 237.318 3.228 20 0 BGADHN C[C@@H]([NH2+]C1CC(C)(C)C1)c1cccc([O-])c1F ZINC000872089305 589867365 /nfs/dbraw/zinc/86/73/65/589867365.db2.gz WQIBHQZOJKOTSA-SECBINFHSA-N 0 3 237.318 3.371 20 0 BGADHN C[C@H]([NH2+]C1CC(C)(C)C1)c1cccc([O-])c1F ZINC000872089306 589867953 /nfs/dbraw/zinc/86/79/53/589867953.db2.gz WQIBHQZOJKOTSA-VIFPVBQESA-N 0 3 237.318 3.371 20 0 BGADHN C[C@H](NCC1=CCCC1)c1cccc(O)c1F ZINC000872089359 589867762 /nfs/dbraw/zinc/86/77/62/589867762.db2.gz XRYKEOXDWFBLIQ-JTQLQIEISA-N 0 3 235.302 3.292 20 0 BGADHN C[C@@H](NCC1=CCCC1)c1cccc(O)c1F ZINC000872089360 589867923 /nfs/dbraw/zinc/86/79/23/589867923.db2.gz XRYKEOXDWFBLIQ-SNVBAGLBSA-N 0 3 235.302 3.292 20 0 BGADHN CCn1ccnc1[C@H](C)NCCC[C@H]1C=CCC1 ZINC000872105572 589872397 /nfs/dbraw/zinc/87/23/97/589872397.db2.gz CDKDXPNSAMDUIQ-KBPBESRZSA-N 0 3 247.386 3.300 20 0 BGADHN CCn1ccnc1[C@@H](C)NCCC[C@H]1C=CCC1 ZINC000872105574 589872002 /nfs/dbraw/zinc/87/20/02/589872002.db2.gz CDKDXPNSAMDUIQ-KGLIPLIRSA-N 0 3 247.386 3.300 20 0 BGADHN CCn1ccnc1[C@H](C)NCCC[C@@H]1C=CCC1 ZINC000872105576 589872351 /nfs/dbraw/zinc/87/23/51/589872351.db2.gz CDKDXPNSAMDUIQ-UONOGXRCSA-N 0 3 247.386 3.300 20 0 BGADHN CCn1ccnc1[C@@H](C)NCCC[C@@H]1C=CCC1 ZINC000872105577 589872070 /nfs/dbraw/zinc/87/20/70/589872070.db2.gz CDKDXPNSAMDUIQ-ZIAGYGMSSA-N 0 3 247.386 3.300 20 0 BGADHN C1=C[C@H](CCCN[C@H]2CCCn3ccnc32)CC1 ZINC000872105596 589872053 /nfs/dbraw/zinc/87/20/53/589872053.db2.gz CYGPJVMSEDFUPX-KBPBESRZSA-N 0 3 245.370 3.054 20 0 BGADHN C1=C[C@@H](CCCN[C@H]2CCCn3ccnc32)CC1 ZINC000872105597 589871829 /nfs/dbraw/zinc/87/18/29/589871829.db2.gz CYGPJVMSEDFUPX-KGLIPLIRSA-N 0 3 245.370 3.054 20 0 BGADHN C1=C[C@H](CCCN[C@@H]2CCCn3ccnc32)CC1 ZINC000872105599 589871875 /nfs/dbraw/zinc/87/18/75/589871875.db2.gz CYGPJVMSEDFUPX-UONOGXRCSA-N 0 3 245.370 3.054 20 0 BGADHN C1=C[C@@H](CCCN[C@@H]2CCCn3ccnc32)CC1 ZINC000872105600 589872285 /nfs/dbraw/zinc/87/22/85/589872285.db2.gz CYGPJVMSEDFUPX-ZIAGYGMSSA-N 0 3 245.370 3.054 20 0 BGADHN C[C@H](NCCC[C@H]1C=CCC1)c1ccccn1 ZINC000872105634 589872794 /nfs/dbraw/zinc/87/27/94/589872794.db2.gz ALRBNILFLGUWIT-KBPBESRZSA-N 0 3 230.355 3.479 20 0 BGADHN C[C@@H](NCCC[C@H]1C=CCC1)c1ccccn1 ZINC000872105636 589872849 /nfs/dbraw/zinc/87/28/49/589872849.db2.gz ALRBNILFLGUWIT-KGLIPLIRSA-N 0 3 230.355 3.479 20 0 BGADHN C[C@H](NCCC[C@@H]1C=CCC1)c1ccccn1 ZINC000872105638 589872971 /nfs/dbraw/zinc/87/29/71/589872971.db2.gz ALRBNILFLGUWIT-UONOGXRCSA-N 0 3 230.355 3.479 20 0 BGADHN C[C@@H](NCCC[C@@H]1C=CCC1)c1ccccn1 ZINC000872105640 589872825 /nfs/dbraw/zinc/87/28/25/589872825.db2.gz ALRBNILFLGUWIT-ZIAGYGMSSA-N 0 3 230.355 3.479 20 0 BGADHN C[C@@H]1C[C@@H](NCCC[C@H]2C=CCC2)c2nccn21 ZINC000872105688 589873070 /nfs/dbraw/zinc/87/30/70/589873070.db2.gz FBFLMPYPIYUAEM-HZSPNIEDSA-N 0 3 245.370 3.225 20 0 BGADHN C[C@@H]1C[C@H](NCCC[C@@H]2C=CCC2)c2nccn21 ZINC000872105690 589872610 /nfs/dbraw/zinc/87/26/10/589872610.db2.gz FBFLMPYPIYUAEM-MCIONIFRSA-N 0 3 245.370 3.225 20 0 BGADHN C[C@@H]1C[C@@H](NCCC[C@@H]2C=CCC2)c2nccn21 ZINC000872105692 589872515 /nfs/dbraw/zinc/87/25/15/589872515.db2.gz FBFLMPYPIYUAEM-MGPQQGTHSA-N 0 3 245.370 3.225 20 0 BGADHN C[C@@H]1C[C@H](NCCC[C@H]2C=CCC2)c2nccn21 ZINC000872105694 589872668 /nfs/dbraw/zinc/87/26/68/589872668.db2.gz FBFLMPYPIYUAEM-RDBSUJKOSA-N 0 3 245.370 3.225 20 0 BGADHN Cc1nccnc1[C@H](C)NCCC[C@@H]1C=CCC1 ZINC000872106711 589872616 /nfs/dbraw/zinc/87/26/16/589872616.db2.gz IJXAPWYJCQXBEX-GXTWGEPZSA-N 0 3 245.370 3.182 20 0 BGADHN Cc1nccnc1[C@H](C)NCCC[C@H]1C=CCC1 ZINC000872106723 589872568 /nfs/dbraw/zinc/87/25/68/589872568.db2.gz IJXAPWYJCQXBEX-JSGCOSHPSA-N 0 3 245.370 3.182 20 0 BGADHN Cc1nccnc1[C@@H](C)NCCC[C@H]1C=CCC1 ZINC000872106724 589872632 /nfs/dbraw/zinc/87/26/32/589872632.db2.gz IJXAPWYJCQXBEX-OCCSQVGLSA-N 0 3 245.370 3.182 20 0 BGADHN Cc1nccnc1[C@@H](C)NCCC[C@@H]1C=CCC1 ZINC000872106725 589872741 /nfs/dbraw/zinc/87/27/41/589872741.db2.gz IJXAPWYJCQXBEX-TZMCWYRMSA-N 0 3 245.370 3.182 20 0 BGADHN CC[C@H](NCCC[C@H]1C=CCC1)c1nccn1C ZINC000872107817 589873523 /nfs/dbraw/zinc/87/35/23/589873523.db2.gz PESIODATLKJRSW-KBPBESRZSA-N 0 3 247.386 3.207 20 0 BGADHN CC[C@H](NCCC[C@@H]1C=CCC1)c1nccn1C ZINC000872107818 589873790 /nfs/dbraw/zinc/87/37/90/589873790.db2.gz PESIODATLKJRSW-KGLIPLIRSA-N 0 3 247.386 3.207 20 0 BGADHN CC[C@@H](NCCC[C@H]1C=CCC1)c1nccn1C ZINC000872107819 589873218 /nfs/dbraw/zinc/87/32/18/589873218.db2.gz PESIODATLKJRSW-UONOGXRCSA-N 0 3 247.386 3.207 20 0 BGADHN CC[C@@H](NCCC[C@@H]1C=CCC1)c1nccn1C ZINC000872107820 589873823 /nfs/dbraw/zinc/87/38/23/589873823.db2.gz PESIODATLKJRSW-ZIAGYGMSSA-N 0 3 247.386 3.207 20 0 BGADHN Cc1cc([C@H](C)NCCC[C@H]2C=CCC2)nn1C ZINC000872107916 589873776 /nfs/dbraw/zinc/87/37/76/589873776.db2.gz UKQRUIHFFZRUFN-KBPBESRZSA-N 0 3 247.386 3.126 20 0 BGADHN Cc1cc([C@@H](C)NCCC[C@H]2C=CCC2)nn1C ZINC000872107917 589873796 /nfs/dbraw/zinc/87/37/96/589873796.db2.gz UKQRUIHFFZRUFN-KGLIPLIRSA-N 0 3 247.386 3.126 20 0 BGADHN Cc1cc([C@H](C)NCCC[C@@H]2C=CCC2)nn1C ZINC000872107918 589873874 /nfs/dbraw/zinc/87/38/74/589873874.db2.gz UKQRUIHFFZRUFN-UONOGXRCSA-N 0 3 247.386 3.126 20 0 BGADHN Cc1cc([C@@H](C)NCCC[C@@H]2C=CCC2)nn1C ZINC000872107919 589873723 /nfs/dbraw/zinc/87/37/23/589873723.db2.gz UKQRUIHFFZRUFN-ZIAGYGMSSA-N 0 3 247.386 3.126 20 0 BGADHN CC(C)OC1(CN[C@H](C)c2ccco2)CCC1 ZINC000872116218 589875068 /nfs/dbraw/zinc/87/50/68/589875068.db2.gz JHYHERXNMGZLQV-GFCCVEGCSA-N 0 3 237.343 3.278 20 0 BGADHN CC(C)OC1(CN[C@@H](C)c2ccco2)CCC1 ZINC000872116219 589874970 /nfs/dbraw/zinc/87/49/70/589874970.db2.gz JHYHERXNMGZLQV-LBPRGKRZSA-N 0 3 237.343 3.278 20 0 BGADHN CC(C)OC1(CN[C@H](C)c2ccoc2)CCC1 ZINC000872116380 589874949 /nfs/dbraw/zinc/87/49/49/589874949.db2.gz LAFVOZMVFKJVQZ-GFCCVEGCSA-N 0 3 237.343 3.278 20 0 BGADHN CC(C)OC1(CN[C@@H](C)c2ccoc2)CCC1 ZINC000872116382 589874679 /nfs/dbraw/zinc/87/46/79/589874679.db2.gz LAFVOZMVFKJVQZ-LBPRGKRZSA-N 0 3 237.343 3.278 20 0 BGADHN CC(C)OC1(CN[C@H](C)c2ccccn2)CCC1 ZINC000872116814 589875526 /nfs/dbraw/zinc/87/55/26/589875526.db2.gz OGCNRHGKXSXTOW-CYBMUJFWSA-N 0 3 248.370 3.080 20 0 BGADHN CC(C)OC1(CN[C@@H](C)c2ccccn2)CCC1 ZINC000872116816 589875400 /nfs/dbraw/zinc/87/54/00/589875400.db2.gz OGCNRHGKXSXTOW-ZDUSSCGKSA-N 0 3 248.370 3.080 20 0 BGADHN CC[C@H](C)NCc1nc(-c2ccncc2)cs1 ZINC000872121212 589875296 /nfs/dbraw/zinc/87/52/96/589875296.db2.gz AQYGBAIISBAARU-JTQLQIEISA-N 0 3 247.367 3.093 20 0 BGADHN CC[C@@H](C)NCc1nc(-c2ccncc2)cs1 ZINC000872121213 589875696 /nfs/dbraw/zinc/87/56/96/589875696.db2.gz AQYGBAIISBAARU-SNVBAGLBSA-N 0 3 247.367 3.093 20 0 BGADHN Cc1nccnc1[C@H](C)N[C@@H]1CC[C@H]1C1CCC1 ZINC000872131803 589877664 /nfs/dbraw/zinc/87/76/64/589877664.db2.gz ACKWMSPTSLPEDP-FPMFFAJLSA-N 0 3 245.370 3.014 20 0 BGADHN Cc1nccnc1[C@H](C)N[C@@H]1CC[C@@H]1C1CCC1 ZINC000872131804 589877503 /nfs/dbraw/zinc/87/75/03/589877503.db2.gz ACKWMSPTSLPEDP-IACUBPJLSA-N 0 3 245.370 3.014 20 0 BGADHN Cc1nccnc1[C@H](C)N[C@H]1CC[C@H]1C1CCC1 ZINC000872131805 589877775 /nfs/dbraw/zinc/87/77/75/589877775.db2.gz ACKWMSPTSLPEDP-UBHSHLNASA-N 0 3 245.370 3.014 20 0 BGADHN Cc1nccnc1[C@H](C)N[C@H]1CC[C@@H]1C1CCC1 ZINC000872131806 589877737 /nfs/dbraw/zinc/87/77/37/589877737.db2.gz ACKWMSPTSLPEDP-YUTCNCBUSA-N 0 3 245.370 3.014 20 0 BGADHN CCCC(CCC)N[C@H](C)c1nccnc1C ZINC000872134042 589878203 /nfs/dbraw/zinc/87/82/03/589878203.db2.gz QNQQJNHFXMBWNC-GFCCVEGCSA-N 0 3 235.375 3.404 20 0 BGADHN CCCC(CCC)N[C@@H](C)c1nccnc1C ZINC000872134043 589878578 /nfs/dbraw/zinc/87/85/78/589878578.db2.gz QNQQJNHFXMBWNC-LBPRGKRZSA-N 0 3 235.375 3.404 20 0 BGADHN Cc1nccnc1[C@H](C)N[C@H]1CC(C)(C)C[C@@H]1C ZINC000872135363 589878435 /nfs/dbraw/zinc/87/84/35/589878435.db2.gz VYMUATYPORFMAT-DRZSPHRISA-N 0 3 247.386 3.260 20 0 BGADHN Cc1nccnc1[C@H](C)N[C@@H]1CC(C)(C)C[C@H]1C ZINC000872135364 589877947 /nfs/dbraw/zinc/87/79/47/589877947.db2.gz VYMUATYPORFMAT-KGYLQXTDSA-N 0 3 247.386 3.260 20 0 BGADHN Cc1nccnc1[C@H](C)N[C@@H]1CC(C)(C)C[C@@H]1C ZINC000872135365 589878356 /nfs/dbraw/zinc/87/83/56/589878356.db2.gz VYMUATYPORFMAT-WCFLWFBJSA-N 0 3 247.386 3.260 20 0 BGADHN Cc1nccnc1[C@H](C)N[C@H]1CC(C)(C)C[C@H]1C ZINC000872135366 589877957 /nfs/dbraw/zinc/87/79/57/589877957.db2.gz VYMUATYPORFMAT-WXHSDQCUSA-N 0 3 247.386 3.260 20 0 BGADHN CCCC[C@@H](CC)N[C@H](C)c1nccnc1C ZINC000872135950 589879453 /nfs/dbraw/zinc/87/94/53/589879453.db2.gz ZBBREDCKNIPBFJ-CHWSQXEVSA-N 0 3 235.375 3.404 20 0 BGADHN CCCC[C@H](CC)N[C@H](C)c1nccnc1C ZINC000872135952 589879474 /nfs/dbraw/zinc/87/94/74/589879474.db2.gz ZBBREDCKNIPBFJ-OLZOCXBDSA-N 0 3 235.375 3.404 20 0 BGADHN CCCC[C@@H](CC)N[C@@H](C)c1nccnc1C ZINC000872135953 589878926 /nfs/dbraw/zinc/87/89/26/589878926.db2.gz ZBBREDCKNIPBFJ-QWHCGFSZSA-N 0 3 235.375 3.404 20 0 BGADHN CCCC[C@H](CC)N[C@@H](C)c1nccnc1C ZINC000872135954 583947706 /nfs/dbraw/zinc/94/77/06/583947706.db2.gz ZBBREDCKNIPBFJ-STQMWFEESA-N 0 3 235.375 3.404 20 0 BGADHN c1coc(CN2CCC[C@H](OC3CCC3)CC2)c1 ZINC000872260643 589900925 /nfs/dbraw/zinc/90/09/25/589900925.db2.gz RABPSQVZVXXSHQ-AWEZNQCLSA-N 0 3 249.354 3.203 20 0 BGADHN c1coc(CN2CCC[C@@H](OC3CCC3)CC2)c1 ZINC000872260644 589901494 /nfs/dbraw/zinc/90/14/94/589901494.db2.gz RABPSQVZVXXSHQ-CQSZACIVSA-N 0 3 249.354 3.203 20 0 BGADHN c1cc(CN2CCC[C@H](OC3CCC3)CC2)co1 ZINC000872262314 589902158 /nfs/dbraw/zinc/90/21/58/589902158.db2.gz XVBXJURGFDTQAI-HNNXBMFYSA-N 0 3 249.354 3.203 20 0 BGADHN c1cc(CN2CCC[C@@H](OC3CCC3)CC2)co1 ZINC000872262315 589902234 /nfs/dbraw/zinc/90/22/34/589902234.db2.gz XVBXJURGFDTQAI-OAHLLOKOSA-N 0 3 249.354 3.203 20 0 BGADHN Cl/C=C\CN1CCC[C@H](OC2CCC2)CC1 ZINC000872275016 589904485 /nfs/dbraw/zinc/90/44/85/589904485.db2.gz DIAJTJCZXJRPNO-SYAFZNNESA-N 0 3 243.778 3.163 20 0 BGADHN Cl/C=C\CN1CCC[C@@H](OC2CCC2)CC1 ZINC000872275017 589904332 /nfs/dbraw/zinc/90/43/32/589904332.db2.gz DIAJTJCZXJRPNO-UJYKQDJBSA-N 0 3 243.778 3.163 20 0 BGADHN Cl/C=C/CN1CCC[C@H](OC2CCC2)CC1 ZINC000872275018 589904512 /nfs/dbraw/zinc/90/45/12/589904512.db2.gz DIAJTJCZXJRPNO-UTPRNQHHSA-N 0 3 243.778 3.163 20 0 BGADHN Cl/C=C/CN1CCC[C@@H](OC2CCC2)CC1 ZINC000872275019 589904579 /nfs/dbraw/zinc/90/45/79/589904579.db2.gz DIAJTJCZXJRPNO-ZHAHRWAOSA-N 0 3 243.778 3.163 20 0 BGADHN c1ccc2c(c1)CN(c1ccncc1C1CC1)C2 ZINC000872446861 589940349 /nfs/dbraw/zinc/94/03/49/589940349.db2.gz SVECSYXGCIVHBJ-UHFFFAOYSA-N 0 3 236.318 3.479 20 0 BGADHN FC1=CCCN(c2ccncc2C2CC2)C1 ZINC000872505693 589945122 /nfs/dbraw/zinc/94/51/22/589945122.db2.gz ZALYDJCUFABDAW-UHFFFAOYSA-N 0 3 218.275 3.023 20 0 BGADHN FC1(F)CCCN(c2ccncc2C2CC2)C1 ZINC000872585306 589954111 /nfs/dbraw/zinc/95/41/11/589954111.db2.gz USMWASMRMRBGOD-UHFFFAOYSA-N 0 3 238.281 3.195 20 0 BGADHN C[C@@H](NCc1nc2cc(F)ccc2o1)C1(C)CC1 ZINC000873025712 589980164 /nfs/dbraw/zinc/98/01/64/589980164.db2.gz FNTVAJWTDOKLNP-SECBINFHSA-N 0 3 248.301 3.245 20 0 BGADHN C[C@H](NCc1nc2cc(F)ccc2o1)C1(C)CC1 ZINC000873025713 589980058 /nfs/dbraw/zinc/98/00/58/589980058.db2.gz FNTVAJWTDOKLNP-VIFPVBQESA-N 0 3 248.301 3.245 20 0 BGADHN Fc1ccc2oc(CNCCC3CCC3)nc2c1 ZINC000873074509 589982981 /nfs/dbraw/zinc/98/29/81/589982981.db2.gz OKCWUEWFROWGBR-UHFFFAOYSA-N 0 3 248.301 3.247 20 0 BGADHN C[C@H]1CC[C@@H](NCc2nc3cc(F)ccc3o2)C1 ZINC000873112237 589985169 /nfs/dbraw/zinc/98/51/69/589985169.db2.gz SBCDXKAOZOKGCT-GXSJLCMTSA-N 0 3 248.301 3.245 20 0 BGADHN C[C@@H]1CC[C@H](NCc2nc3cc(F)ccc3o2)C1 ZINC000873112238 589984754 /nfs/dbraw/zinc/98/47/54/589984754.db2.gz SBCDXKAOZOKGCT-KOLCDFICSA-N 0 3 248.301 3.245 20 0 BGADHN C[C@@H]1CC[C@@H](NCc2nc3cc(F)ccc3o2)C1 ZINC000873112239 589984830 /nfs/dbraw/zinc/98/48/30/589984830.db2.gz SBCDXKAOZOKGCT-MWLCHTKSSA-N 0 3 248.301 3.245 20 0 BGADHN C[C@H]1CC[C@H](NCc2nc3cc(F)ccc3o2)C1 ZINC000873112240 589984764 /nfs/dbraw/zinc/98/47/64/589984764.db2.gz SBCDXKAOZOKGCT-ONGXEEELSA-N 0 3 248.301 3.245 20 0 BGADHN FC1(F)CC(NCc2cccc3ncccc23)C1 ZINC000873114558 589984783 /nfs/dbraw/zinc/98/47/83/589984783.db2.gz KNJYRJORONMQGA-UHFFFAOYSA-N 0 3 248.276 3.122 20 0 BGADHN CCOc1cccc(F)c1CNCCCCF ZINC000873127283 589985816 /nfs/dbraw/zinc/98/58/16/589985816.db2.gz LQSIKZQIVCIZHI-UHFFFAOYSA-N 0 3 243.297 3.064 20 0 BGADHN CCOc1cccc(F)c1CNCC[C@H](C)F ZINC000873128240 589985587 /nfs/dbraw/zinc/98/55/87/589985587.db2.gz IEFFFZDOGPZXPP-JTQLQIEISA-N 0 3 243.297 3.062 20 0 BGADHN CCOc1cccc(F)c1CNCC[C@@H](C)F ZINC000873128241 589985546 /nfs/dbraw/zinc/98/55/46/589985546.db2.gz IEFFFZDOGPZXPP-SNVBAGLBSA-N 0 3 243.297 3.062 20 0 BGADHN CCOc1cccc(F)c1CN[C@@H]1C[C@H]2C[C@H]2C1 ZINC000873133053 589985444 /nfs/dbraw/zinc/98/54/44/589985444.db2.gz BNXVJNWWDDZDCM-ZSBIGDGJSA-N 0 3 249.329 3.113 20 0 BGADHN CCOc1cccc(F)c1CN[C@H]1[C@@H]2CCC[C@@H]21 ZINC000873139034 589986289 /nfs/dbraw/zinc/98/62/89/589986289.db2.gz RDIQNVHKSHBITM-HBYGRHMLSA-N 0 3 249.329 3.113 20 0 BGADHN CCOc1cccc(F)c1CN[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000873139035 589986153 /nfs/dbraw/zinc/98/61/53/589986153.db2.gz RDIQNVHKSHBITM-QHBPRCKVSA-N 0 3 249.329 3.113 20 0 BGADHN CC1(C)CCC(C)(NCc2ccon2)CC1 ZINC000873143521 589985936 /nfs/dbraw/zinc/98/59/36/589985936.db2.gz MADJQZQGUAVRGN-UHFFFAOYSA-N 0 3 222.332 3.123 20 0 BGADHN CC(C)(F)CNCc1cccc2ncccc12 ZINC000873147277 589986363 /nfs/dbraw/zinc/98/63/63/589986363.db2.gz UDLRENHYRYSXCH-UHFFFAOYSA-N 0 3 232.302 3.073 20 0 BGADHN C1=C[C@@H](CCCNCc2cn(C3CC3)cn2)CC1 ZINC000873153588 589987827 /nfs/dbraw/zinc/98/78/27/589987827.db2.gz ADGRNRNNXJHZBX-CYBMUJFWSA-N 0 3 245.370 3.054 20 0 BGADHN C1=C[C@H](CCCNCc2cn(C3CC3)cn2)CC1 ZINC000873153589 589987860 /nfs/dbraw/zinc/98/78/60/589987860.db2.gz ADGRNRNNXJHZBX-ZDUSSCGKSA-N 0 3 245.370 3.054 20 0 BGADHN Cc1noc(C)c1CNCCC[C@@H]1C=CCC1 ZINC000873153652 589987472 /nfs/dbraw/zinc/98/74/72/589987472.db2.gz CGSAFQKDKGQQMO-CYBMUJFWSA-N 0 3 234.343 3.127 20 0 BGADHN Cc1noc(C)c1CNCCC[C@H]1C=CCC1 ZINC000873153653 589987646 /nfs/dbraw/zinc/98/76/46/589987646.db2.gz CGSAFQKDKGQQMO-ZDUSSCGKSA-N 0 3 234.343 3.127 20 0 BGADHN CC(C)n1ccnc1CNCCC[C@H]1C=CCC1 ZINC000873153662 589987831 /nfs/dbraw/zinc/98/78/31/589987831.db2.gz CNCYBGAONGBZDF-AWEZNQCLSA-N 0 3 247.386 3.300 20 0 BGADHN CC(C)n1ccnc1CNCCC[C@@H]1C=CCC1 ZINC000873153663 589987563 /nfs/dbraw/zinc/98/75/63/589987563.db2.gz CNCYBGAONGBZDF-CQSZACIVSA-N 0 3 247.386 3.300 20 0 BGADHN COCc1ccc(CNCCC[C@@H]2C=CCC2)o1 ZINC000873153769 589987545 /nfs/dbraw/zinc/98/75/45/589987545.db2.gz GUEGNYCIBLFNNO-CYBMUJFWSA-N 0 3 249.354 3.262 20 0 BGADHN COCc1ccc(CNCCC[C@H]2C=CCC2)o1 ZINC000873153770 589987655 /nfs/dbraw/zinc/98/76/55/589987655.db2.gz GUEGNYCIBLFNNO-ZDUSSCGKSA-N 0 3 249.354 3.262 20 0 BGADHN CC(C)n1nccc1CNCCC[C@H]1C=CCC1 ZINC000873153849 589987750 /nfs/dbraw/zinc/98/77/50/589987750.db2.gz JLAOTAJPNHAUEM-AWEZNQCLSA-N 0 3 247.386 3.300 20 0 BGADHN CC(C)n1nccc1CNCCC[C@@H]1C=CCC1 ZINC000873153850 589987349 /nfs/dbraw/zinc/98/73/49/589987349.db2.gz JLAOTAJPNHAUEM-CQSZACIVSA-N 0 3 247.386 3.300 20 0 BGADHN CCc1nocc1CNCCC[C@@H]1C=CCC1 ZINC000873154003 589987621 /nfs/dbraw/zinc/98/76/21/589987621.db2.gz OLWXGPWOZSPDHH-GFCCVEGCSA-N 0 3 234.343 3.073 20 0 BGADHN CCc1nocc1CNCCC[C@H]1C=CCC1 ZINC000873154004 589987342 /nfs/dbraw/zinc/98/73/42/589987342.db2.gz OLWXGPWOZSPDHH-LBPRGKRZSA-N 0 3 234.343 3.073 20 0 BGADHN c1coc(CNCCC[C@@H]2C=CCC2)c1 ZINC000873154042 589987371 /nfs/dbraw/zinc/98/73/71/589987371.db2.gz PJQWOSYRLWUWSY-GFCCVEGCSA-N 0 3 205.301 3.116 20 0 BGADHN c1coc(CNCCC[C@H]2C=CCC2)c1 ZINC000873154043 589987521 /nfs/dbraw/zinc/98/75/21/589987521.db2.gz PJQWOSYRLWUWSY-LBPRGKRZSA-N 0 3 205.301 3.116 20 0 BGADHN Cc1cnc(CNCCC[C@@H]2C=CCC2)s1 ZINC000873154213 589987710 /nfs/dbraw/zinc/98/77/10/589987710.db2.gz RWQUEKRFHNASJA-GFCCVEGCSA-N 0 3 236.384 3.288 20 0 BGADHN Cc1cnc(CNCCC[C@H]2C=CCC2)s1 ZINC000873154214 589987987 /nfs/dbraw/zinc/98/79/87/589987987.db2.gz RWQUEKRFHNASJA-LBPRGKRZSA-N 0 3 236.384 3.288 20 0 BGADHN Cc1nc(CNCCC[C@@H]2C=CCC2)cs1 ZINC000873154275 589987694 /nfs/dbraw/zinc/98/76/94/589987694.db2.gz UJHOPNQGVIEEQH-GFCCVEGCSA-N 0 3 236.384 3.288 20 0 BGADHN Cc1nc(CNCCC[C@H]2C=CCC2)cs1 ZINC000873154276 589987925 /nfs/dbraw/zinc/98/79/25/589987925.db2.gz UJHOPNQGVIEEQH-LBPRGKRZSA-N 0 3 236.384 3.288 20 0 BGADHN CCCn1nccc1CNCCC[C@H]1C=CCC1 ZINC000873154433 589987429 /nfs/dbraw/zinc/98/74/29/589987429.db2.gz WTGFFHRTFGTNJG-AWEZNQCLSA-N 0 3 247.386 3.129 20 0 BGADHN CCCn1nccc1CNCCC[C@@H]1C=CCC1 ZINC000873154434 589987771 /nfs/dbraw/zinc/98/77/71/589987771.db2.gz WTGFFHRTFGTNJG-CQSZACIVSA-N 0 3 247.386 3.129 20 0 BGADHN Fc1cnccc1CNCCC[C@@H]1C=CCC1 ZINC000873154445 589988402 /nfs/dbraw/zinc/98/84/02/589988402.db2.gz WYPKZCSGJOGGSK-GFCCVEGCSA-N 0 3 234.318 3.057 20 0 BGADHN Fc1cnccc1CNCCC[C@H]1C=CCC1 ZINC000873154446 589988863 /nfs/dbraw/zinc/98/88/63/589988863.db2.gz WYPKZCSGJOGGSK-LBPRGKRZSA-N 0 3 234.318 3.057 20 0 BGADHN C1=C[C@@H](CCCNCc2ccoc2)CC1 ZINC000873154482 589988654 /nfs/dbraw/zinc/98/86/54/589988654.db2.gz XYTVZCDFXFQEKE-GFCCVEGCSA-N 0 3 205.301 3.116 20 0 BGADHN C1=C[C@H](CCCNCc2ccoc2)CC1 ZINC000873154483 589988668 /nfs/dbraw/zinc/98/86/68/589988668.db2.gz XYTVZCDFXFQEKE-LBPRGKRZSA-N 0 3 205.301 3.116 20 0 BGADHN Cc1csc(CNCCC[C@@H]2C=CCC2)n1 ZINC000873154580 589988493 /nfs/dbraw/zinc/98/84/93/589988493.db2.gz ZWSRXHIHYOXWOR-GFCCVEGCSA-N 0 3 236.384 3.288 20 0 BGADHN Cc1csc(CNCCC[C@H]2C=CCC2)n1 ZINC000873154582 589988722 /nfs/dbraw/zinc/98/87/22/589988722.db2.gz ZWSRXHIHYOXWOR-LBPRGKRZSA-N 0 3 236.384 3.288 20 0 BGADHN CC(C)OC1(CNCc2ccsc2)CCC1 ZINC000873166788 589989511 /nfs/dbraw/zinc/98/95/11/589989511.db2.gz JQDHGPCQKZDUHV-UHFFFAOYSA-N 0 3 239.384 3.185 20 0 BGADHN Cc1ccoc1CNCC1(OC(C)C)CCC1 ZINC000873167017 589989484 /nfs/dbraw/zinc/98/94/84/589989484.db2.gz MFGCMENYPUMHGR-UHFFFAOYSA-N 0 3 237.343 3.025 20 0 BGADHN Cc1ccc(CNCC2(OC(C)C)CCC2)o1 ZINC000873167077 589988939 /nfs/dbraw/zinc/98/89/39/589988939.db2.gz OCXUMFIGZPPLJZ-UHFFFAOYSA-N 0 3 237.343 3.025 20 0 BGADHN Cc1occc1CNCC1(OC(C)C)CCC1 ZINC000873168149 589989398 /nfs/dbraw/zinc/98/93/98/589989398.db2.gz UZALMENEHZWCDD-UHFFFAOYSA-N 0 3 237.343 3.025 20 0 BGADHN C[C@H](NCc1noc2c1CC(C)(C)CC2)C1CC1 ZINC000873174366 589989922 /nfs/dbraw/zinc/98/99/22/589989922.db2.gz GLWNVFHIZCAFEJ-JTQLQIEISA-N 0 3 248.370 3.078 20 0 BGADHN C[C@@H](NCc1noc2c1CC(C)(C)CC2)C1CC1 ZINC000873174367 589989925 /nfs/dbraw/zinc/98/99/25/589989925.db2.gz GLWNVFHIZCAFEJ-SNVBAGLBSA-N 0 3 248.370 3.078 20 0 BGADHN CC1(C)CCc2onc(CNC3CCCC3)c2C1 ZINC000873175714 589989955 /nfs/dbraw/zinc/98/99/55/589989955.db2.gz OVSPLIJVQRVNIB-UHFFFAOYSA-N 0 3 248.370 3.222 20 0 BGADHN c1coc(CNC2CC(Nc3ccccc3)C2)c1 ZINC000873190374 589991205 /nfs/dbraw/zinc/99/12/05/589991205.db2.gz CPJFWWHGWDUGLZ-UHFFFAOYSA-N 0 3 242.322 3.012 20 0 BGADHN c1cc(CNC2CC(Nc3ccccc3)C2)co1 ZINC000873191071 589991324 /nfs/dbraw/zinc/99/13/24/589991324.db2.gz PGNDSSIKGXRIGV-UHFFFAOYSA-N 0 3 242.322 3.012 20 0 BGADHN CC1(NCc2ccc(Cl)nc2)CC(F)(F)C1 ZINC000873197693 589991887 /nfs/dbraw/zinc/99/18/87/589991887.db2.gz NYSLYSBBWCWMAH-UHFFFAOYSA-N 0 3 246.688 3.012 20 0 BGADHN COc1ccsc1CNC1(C)CC(F)(F)C1 ZINC000873197734 589991921 /nfs/dbraw/zinc/99/19/21/589991921.db2.gz QUGXDNBAQBYYKS-UHFFFAOYSA-N 0 3 247.310 3.034 20 0 BGADHN Cc1cc(CNC2(C)CC(F)(F)C2)c(C)o1 ZINC000873198032 589991818 /nfs/dbraw/zinc/99/18/18/589991818.db2.gz YXLHAIITHOZFOR-UHFFFAOYSA-N 0 3 229.270 3.174 20 0 BGADHN C[C@@H]1CC(C)(C)C[C@](C)(NCc2ncc[nH]2)C1 ZINC000873199599 589993380 /nfs/dbraw/zinc/99/33/80/589993380.db2.gz AZMIJJCKUJZZGU-BXUZGUMPSA-N 0 3 235.375 3.104 20 0 BGADHN C[C@@H]1CC(C)(C)C[C@](C)(NCc2cn(C)cn2)C1 ZINC000873200212 589993067 /nfs/dbraw/zinc/99/30/67/589993067.db2.gz MHWWVYCUZUQLCV-IUODEOHRSA-N 0 3 249.402 3.115 20 0 BGADHN C[C@@H]1CC(C)(C)C[C@](C)(NCc2nccn2C)C1 ZINC000873200404 589993195 /nfs/dbraw/zinc/99/31/95/589993195.db2.gz PCQRWCMABMSUIK-IUODEOHRSA-N 0 3 249.402 3.115 20 0 BGADHN C[C@@H]1CC(C)(C)C[C@](C)(NCc2cocn2)C1 ZINC000873200534 589993157 /nfs/dbraw/zinc/99/31/57/589993157.db2.gz ROJJQLXGVFTZKH-BXUZGUMPSA-N 0 3 236.359 3.369 20 0 BGADHN C[C@@H]1CC(C)(C)C[C@](C)(NCc2cnccn2)C1 ZINC000873200736 589992761 /nfs/dbraw/zinc/99/27/61/589992761.db2.gz SOPNUIKEUGOHGH-IUODEOHRSA-N 0 3 247.386 3.171 20 0 BGADHN F[C@@H]1CCCC[C@@H]1NCc1cccc2c1NCC2 ZINC000873217988 589998942 /nfs/dbraw/zinc/99/89/42/589998942.db2.gz WTUUCCDLIBYZNV-KGLIPLIRSA-N 0 3 248.345 3.025 20 0 BGADHN CCC[C@@H](CC)C(=O)Nc1cccc(CNC)c1 ZINC000873298346 590024995 /nfs/dbraw/zinc/02/49/95/590024995.db2.gz IEMUQQIZBIZTBY-CYBMUJFWSA-N 0 3 248.370 3.171 20 0 BGADHN CCC[C@H](CC)C(=O)Nc1cccc(CNC)c1 ZINC000873298347 590024944 /nfs/dbraw/zinc/02/49/44/590024944.db2.gz IEMUQQIZBIZTBY-ZDUSSCGKSA-N 0 3 248.370 3.171 20 0 BGADHN CCC[C@@H](CC)C(=O)Nc1cc(C)cc(CN)c1 ZINC000873300028 590025294 /nfs/dbraw/zinc/02/52/94/590025294.db2.gz XONWKFTZEZJUNA-CYBMUJFWSA-N 0 3 248.370 3.219 20 0 BGADHN CCC[C@H](CC)C(=O)Nc1cc(C)cc(CN)c1 ZINC000873300030 590024911 /nfs/dbraw/zinc/02/49/11/590024911.db2.gz XONWKFTZEZJUNA-ZDUSSCGKSA-N 0 3 248.370 3.219 20 0 BGADHN CCC[C@@H](CC)C(=O)Nc1ccccc1CNC ZINC000876510968 590205460 /nfs/dbraw/zinc/20/54/60/590205460.db2.gz ZEWVVLFBSSMHSS-GFCCVEGCSA-N 0 3 248.370 3.171 20 0 BGADHN CCC[C@H](CC)C(=O)Nc1ccccc1CNC ZINC000876510969 590205531 /nfs/dbraw/zinc/20/55/31/590205531.db2.gz ZEWVVLFBSSMHSS-LBPRGKRZSA-N 0 3 248.370 3.171 20 0 BGADHN CCN(CC)Cc1cnc2c(F)cccc2c1 ZINC000876523518 590207852 /nfs/dbraw/zinc/20/78/52/590207852.db2.gz YRXPCFBOWDPVHU-UHFFFAOYSA-N 0 3 232.302 3.216 20 0 BGADHN CCCN(CCC)Cc1cc2c(cc[nH]c2=O)o1 ZINC000876526432 590208244 /nfs/dbraw/zinc/20/82/44/590208244.db2.gz TWUIVKAGTIBGIU-UHFFFAOYSA-N 0 3 248.326 3.155 20 0 BGADHN CC(C)N(C)Cc1ccc(OC(F)F)cc1F ZINC000876528173 590208958 /nfs/dbraw/zinc/20/89/58/590208958.db2.gz RKGVZDYYKGZTNH-UHFFFAOYSA-N 0 3 247.260 3.267 20 0 BGADHN CC(C)N(C)Cc1cnc2c(F)cccc2c1 ZINC000876528380 590209337 /nfs/dbraw/zinc/20/93/37/590209337.db2.gz WNYSANLIMFATOV-UHFFFAOYSA-N 0 3 232.302 3.214 20 0 BGADHN CCCCN(CC)Cc1cc2c(cc[nH]c2=O)o1 ZINC000876528491 590209232 /nfs/dbraw/zinc/20/92/32/590209232.db2.gz RMIAPKSJWSFMBX-UHFFFAOYSA-N 0 3 248.326 3.155 20 0 BGADHN CC[C@H]1CO[C@H](C)CN1CCC(C)(C)SC ZINC000876537119 590211746 /nfs/dbraw/zinc/21/17/46/590211746.db2.gz XGCSBZKPVZMURV-NEPJUHHUSA-N 0 3 245.432 3.017 20 0 BGADHN CC[C@@H]1CO[C@@H](C)CN1CCC(C)(C)SC ZINC000876537120 590211624 /nfs/dbraw/zinc/21/16/24/590211624.db2.gz XGCSBZKPVZMURV-NWDGAFQWSA-N 0 3 245.432 3.017 20 0 BGADHN CC[C@H]1CO[C@@H](C)CN1CCC(C)(C)SC ZINC000876537121 590211472 /nfs/dbraw/zinc/21/14/72/590211472.db2.gz XGCSBZKPVZMURV-RYUDHWBXSA-N 0 3 245.432 3.017 20 0 BGADHN CC[C@@H]1CO[C@H](C)CN1CCC(C)(C)SC ZINC000876537122 590211790 /nfs/dbraw/zinc/21/17/90/590211790.db2.gz XGCSBZKPVZMURV-VXGBXAGGSA-N 0 3 245.432 3.017 20 0 BGADHN CSC(C)(C)CCN(C)Cc1ccco1 ZINC000876540535 590212323 /nfs/dbraw/zinc/21/23/23/590212323.db2.gz ZZJXSYIGSZEUOC-UHFFFAOYSA-N 0 3 227.373 3.243 20 0 BGADHN CCN(Cc1ccc(C(F)F)nc1)C(C)C ZINC000876559783 590216021 /nfs/dbraw/zinc/21/60/21/590216021.db2.gz BPRWFGRJDHZFEO-UHFFFAOYSA-N 0 3 228.286 3.250 20 0 BGADHN CN(C)c1ccc(F)cc1CN1C2CCC1CC2 ZINC000876562033 590215796 /nfs/dbraw/zinc/21/57/96/590215796.db2.gz NMJKYMUDHHPYAM-UHFFFAOYSA-N 0 3 248.345 3.019 20 0 BGADHN CCCN(C)Cc1cnc2c(F)cccc2c1 ZINC000876564762 584886190 /nfs/dbraw/zinc/88/61/90/584886190.db2.gz UTUAGMXVHJHTMY-UHFFFAOYSA-N 0 3 232.302 3.216 20 0 BGADHN CC(C)CCN(C)Cc1cc2c(cc[nH]c2=O)o1 ZINC000876573284 590217011 /nfs/dbraw/zinc/21/70/11/590217011.db2.gz XMKSDKNJWUQYQQ-UHFFFAOYSA-N 0 3 248.326 3.011 20 0 BGADHN CC(C)[C@H](C)N(C)Cc1cc2c(cc[nH]c2=O)o1 ZINC000876573881 590217805 /nfs/dbraw/zinc/21/78/05/590217805.db2.gz GLXQJISASIFXLD-JTQLQIEISA-N 0 3 248.326 3.010 20 0 BGADHN CC(C)[C@@H](C)N(C)Cc1cc2c(cc[nH]c2=O)o1 ZINC000876573882 590217511 /nfs/dbraw/zinc/21/75/11/590217511.db2.gz GLXQJISASIFXLD-SNVBAGLBSA-N 0 3 248.326 3.010 20 0 BGADHN CCN(Cc1cnc2c(F)cccc2c1)C1CC1 ZINC000876575527 590217556 /nfs/dbraw/zinc/21/75/56/590217556.db2.gz HSSBWDVZSVFLHW-UHFFFAOYSA-N 0 3 244.313 3.358 20 0 BGADHN CN(Cc1cc2c(ccnc2Cl)o1)C1CC1 ZINC000876579948 590218819 /nfs/dbraw/zinc/21/88/19/590218819.db2.gz CZVJGKHWWASMLO-UHFFFAOYSA-N 0 3 236.702 3.075 20 0 BGADHN CCN(Cc1cc2c(cc[nH]c2=O)o1)CC(C)C ZINC000876580355 590218381 /nfs/dbraw/zinc/21/83/81/590218381.db2.gz KEDGWZIOCPJOJB-UHFFFAOYSA-N 0 3 248.326 3.011 20 0 BGADHN CCC[C@H](C)N(C)Cc1cc2c(cc[nH]c2=O)o1 ZINC000876582080 590218958 /nfs/dbraw/zinc/21/89/58/590218958.db2.gz JYCZLSJGYZLHQT-JTQLQIEISA-N 0 3 248.326 3.154 20 0 BGADHN CCC[C@@H](C)N(C)Cc1cc2c(cc[nH]c2=O)o1 ZINC000876582081 590218887 /nfs/dbraw/zinc/21/88/87/590218887.db2.gz JYCZLSJGYZLHQT-SNVBAGLBSA-N 0 3 248.326 3.154 20 0 BGADHN CC[C@H](C)CN(C)Cc1cc2c(cc[nH]c2=O)o1 ZINC000876611362 590221792 /nfs/dbraw/zinc/22/17/92/590221792.db2.gz XKQSJSBUJLAPDV-JTQLQIEISA-N 0 3 248.326 3.011 20 0 BGADHN CC[C@@H](C)CN(C)Cc1cc2c(cc[nH]c2=O)o1 ZINC000876611363 590222034 /nfs/dbraw/zinc/22/20/34/590222034.db2.gz XKQSJSBUJLAPDV-SNVBAGLBSA-N 0 3 248.326 3.011 20 0 BGADHN Cc1noc(C)c1CN(C)CC1(C(C)C)CC1 ZINC000876611830 590221848 /nfs/dbraw/zinc/22/18/48/590221848.db2.gz SPXARKZUAUCYHO-UHFFFAOYSA-N 0 3 236.359 3.159 20 0 BGADHN Cc1noc(C)c1CN(C)CC1(C)CCCC1 ZINC000876611947 590221897 /nfs/dbraw/zinc/22/18/97/590221897.db2.gz WWTMPCUIMXXTDG-UHFFFAOYSA-N 0 3 236.359 3.304 20 0 BGADHN Cc1ncc(CN(C)CC2(C)CCCC2)s1 ZINC000876622209 590223203 /nfs/dbraw/zinc/22/32/03/590223203.db2.gz CXVHIJCVEVOSGD-UHFFFAOYSA-N 0 3 238.400 3.464 20 0 BGADHN CN(Cc1cnc2c(F)cccc2c1)CC1CC1 ZINC000876622519 590222840 /nfs/dbraw/zinc/22/28/40/590222840.db2.gz XUFNXRNDHMSBAO-UHFFFAOYSA-N 0 3 244.313 3.216 20 0 BGADHN CN(Cc1cc2c(cc[nH]c2=O)o1)CC(C)(C)C ZINC000876625754 590223728 /nfs/dbraw/zinc/22/37/28/590223728.db2.gz DXOVOOGLJNFCLX-UHFFFAOYSA-N 0 3 248.326 3.011 20 0 BGADHN CSC(C)(C)CCN(C)Cc1ccoc1 ZINC000876633964 590224142 /nfs/dbraw/zinc/22/41/42/590224142.db2.gz YZPFWOBIRPMNRJ-UHFFFAOYSA-N 0 3 227.373 3.243 20 0 BGADHN C[C@@H]1CCN(Cc2cnc3c(F)cccc3c2)C1 ZINC000876636315 590224223 /nfs/dbraw/zinc/22/42/23/590224223.db2.gz GCWHJBRLFMZDEL-LLVKDONJSA-N 0 3 244.313 3.216 20 0 BGADHN C[C@H]1CCN(Cc2cnc3c(F)cccc3c2)C1 ZINC000876636316 590224338 /nfs/dbraw/zinc/22/43/38/590224338.db2.gz GCWHJBRLFMZDEL-NSHDSACASA-N 0 3 244.313 3.216 20 0 BGADHN CC[C@H]1CN(CCC(C)(C)SC)C[C@@H](C)O1 ZINC000876638538 590224783 /nfs/dbraw/zinc/22/47/83/590224783.db2.gz KQZYWZSHJCGSEB-NEPJUHHUSA-N 0 3 245.432 3.017 20 0 BGADHN CC[C@@H]1CN(CCC(C)(C)SC)C[C@H](C)O1 ZINC000876638539 590224895 /nfs/dbraw/zinc/22/48/95/590224895.db2.gz KQZYWZSHJCGSEB-NWDGAFQWSA-N 0 3 245.432 3.017 20 0 BGADHN CC[C@H]1CN(CCC(C)(C)SC)C[C@H](C)O1 ZINC000876638540 590222901 /nfs/dbraw/zinc/22/29/01/590222901.db2.gz KQZYWZSHJCGSEB-RYUDHWBXSA-N 0 3 245.432 3.017 20 0 BGADHN CC[C@@H]1CN(CCC(C)(C)SC)C[C@@H](C)O1 ZINC000876638541 590223189 /nfs/dbraw/zinc/22/31/89/590223189.db2.gz KQZYWZSHJCGSEB-VXGBXAGGSA-N 0 3 245.432 3.017 20 0 BGADHN Cc1ncsc1CN(C)CC1(C)CCCC1 ZINC000876687000 590230317 /nfs/dbraw/zinc/23/03/17/590230317.db2.gz CKFXTGVAAXZWDL-UHFFFAOYSA-N 0 3 238.400 3.464 20 0 BGADHN c1cc(CN2CCC3(CCCC3)CC2)sn1 ZINC000876689548 590230775 /nfs/dbraw/zinc/23/07/75/590230775.db2.gz FUWJIRXICHAPHT-UHFFFAOYSA-N 0 3 236.384 3.299 20 0 BGADHN CCC(C)(C)N(C)Cc1cc2c(cc[nH]c2=O)o1 ZINC000876718759 590233298 /nfs/dbraw/zinc/23/32/98/590233298.db2.gz SWQVGLDFVNQMLK-UHFFFAOYSA-N 0 3 248.326 3.154 20 0 BGADHN C[C@@H]1CCCN1Cc1cnc2c(F)cccc2c1 ZINC000876723696 590233393 /nfs/dbraw/zinc/23/33/93/590233393.db2.gz XBHDKVPWGISBQC-LLVKDONJSA-N 0 3 244.313 3.358 20 0 BGADHN C[C@H]1CCCN1Cc1cnc2c(F)cccc2c1 ZINC000876723697 590233355 /nfs/dbraw/zinc/23/33/55/590233355.db2.gz XBHDKVPWGISBQC-NSHDSACASA-N 0 3 244.313 3.358 20 0 BGADHN Cc1cc(CN2CCC3(CCCC3)C2)sn1 ZINC000876725603 590233503 /nfs/dbraw/zinc/23/35/03/590233503.db2.gz UQKICGOVANFOQR-UHFFFAOYSA-N 0 3 236.384 3.218 20 0 BGADHN CC1(C)CCN1Cc1cnc2c(F)cccc2c1 ZINC000876744445 590236548 /nfs/dbraw/zinc/23/65/48/590236548.db2.gz URWAMGPGPXLAAF-UHFFFAOYSA-N 0 3 244.313 3.358 20 0 BGADHN CN(Cc1cnc2c(F)cccc2c1)C1CCC1 ZINC000876746489 590237294 /nfs/dbraw/zinc/23/72/94/590237294.db2.gz YZLHXNIOADGMMU-UHFFFAOYSA-N 0 3 244.313 3.358 20 0 BGADHN CCC[C@@H]1CN(CCC(C)(C)SC)CCO1 ZINC000876749261 590236814 /nfs/dbraw/zinc/23/68/14/590236814.db2.gz JXHMLCYVVJODOU-GFCCVEGCSA-N 0 3 245.432 3.019 20 0 BGADHN CCC[C@H]1CN(CCC(C)(C)SC)CCO1 ZINC000876749262 590236861 /nfs/dbraw/zinc/23/68/61/590236861.db2.gz JXHMLCYVVJODOU-LBPRGKRZSA-N 0 3 245.432 3.019 20 0 BGADHN Fc1cccc2cc(CN3CCCCC3)cnc12 ZINC000876817659 590245686 /nfs/dbraw/zinc/24/56/86/590245686.db2.gz KJLKVICQAHHVMU-UHFFFAOYSA-N 0 3 244.313 3.360 20 0 BGADHN CCC[C@@H](CC)C(=O)Nc1ccc2c(c1)CNC2 ZINC000876866512 590251662 /nfs/dbraw/zinc/25/16/62/590251662.db2.gz HNODSQSQNBJJDL-LLVKDONJSA-N 0 3 246.354 3.055 20 0 BGADHN CCC[C@H](CC)C(=O)Nc1ccc2c(c1)CNC2 ZINC000876866513 590251382 /nfs/dbraw/zinc/25/13/82/590251382.db2.gz HNODSQSQNBJJDL-NSHDSACASA-N 0 3 246.354 3.055 20 0 BGADHN Clc1csc(CNC2CCCCC2)n1 ZINC000876877083 590252483 /nfs/dbraw/zinc/25/24/83/590252483.db2.gz NCEHBXMWKGXOGD-UHFFFAOYSA-N 0 3 230.764 3.219 20 0 BGADHN CCC(CC)NCc1nc(Cl)cs1 ZINC000876886576 590253657 /nfs/dbraw/zinc/25/36/57/590253657.db2.gz XYFOBIVVOHLNFN-UHFFFAOYSA-N 0 3 218.753 3.075 20 0 BGADHN Clc1csc(CNCC2CCCCC2)n1 ZINC000876886846 590254100 /nfs/dbraw/zinc/25/41/00/590254100.db2.gz BLDHNOZGTSSDKS-UHFFFAOYSA-N 0 3 244.791 3.466 20 0 BGADHN CC(C)CC[C@H](C)NCc1ccc(Cl)nn1 ZINC000876887123 590254287 /nfs/dbraw/zinc/25/42/87/590254287.db2.gz LBDBCUIVNBGZMH-JTQLQIEISA-N 0 3 241.766 3.044 20 0 BGADHN CC(C)CC[C@@H](C)NCc1ccc(Cl)nn1 ZINC000876887124 590254331 /nfs/dbraw/zinc/25/43/31/590254331.db2.gz LBDBCUIVNBGZMH-SNVBAGLBSA-N 0 3 241.766 3.044 20 0 BGADHN CCCCCCNCc1nc(Cl)cs1 ZINC000876887369 590254172 /nfs/dbraw/zinc/25/41/72/590254172.db2.gz VRYXHNQWFJWUKO-UHFFFAOYSA-N 0 3 232.780 3.466 20 0 BGADHN CCCCCCNCc1cc(C2CC2)no1 ZINC000876887469 590254137 /nfs/dbraw/zinc/25/41/37/590254137.db2.gz YHOKKCWSBANVQI-UHFFFAOYSA-N 0 3 222.332 3.222 20 0 BGADHN CCCCCNCc1nc(Cl)cs1 ZINC000876887854 590254194 /nfs/dbraw/zinc/25/41/94/590254194.db2.gz IJGSQBRAAMZHEE-UHFFFAOYSA-N 0 3 218.753 3.076 20 0 BGADHN CCC[C@@H](C)NCc1nc(Cl)cs1 ZINC000876892442 590255154 /nfs/dbraw/zinc/25/51/54/590255154.db2.gz CSYHYTYHLHMHFO-SSDOTTSWSA-N 0 3 218.753 3.075 20 0 BGADHN CCC[C@H](C)NCc1nc(Cl)cs1 ZINC000876892444 590255264 /nfs/dbraw/zinc/25/52/64/590255264.db2.gz CSYHYTYHLHMHFO-ZETCQYMHSA-N 0 3 218.753 3.075 20 0 BGADHN C[C@@H]1CCCC[C@@H]1NCc1nc(Cl)cs1 ZINC000876895015 590254708 /nfs/dbraw/zinc/25/47/08/590254708.db2.gz UPRDCDPANBYVNC-BDAKNGLRSA-N 0 3 244.791 3.465 20 0 BGADHN C[C@H]1CCCC[C@H]1NCc1nc(Cl)cs1 ZINC000876895016 590254988 /nfs/dbraw/zinc/25/49/88/590254988.db2.gz UPRDCDPANBYVNC-DTWKUNHWSA-N 0 3 244.791 3.465 20 0 BGADHN C[C@H]1CCCC[C@@H]1NCc1nc(Cl)cs1 ZINC000876895017 590254697 /nfs/dbraw/zinc/25/46/97/590254697.db2.gz UPRDCDPANBYVNC-IUCAKERBSA-N 0 3 244.791 3.465 20 0 BGADHN C[C@@H]1CCCC[C@H]1NCc1nc(Cl)cs1 ZINC000876895018 590254859 /nfs/dbraw/zinc/25/48/59/590254859.db2.gz UPRDCDPANBYVNC-RKDXNWHRSA-N 0 3 244.791 3.465 20 0 BGADHN CC1(NCc2nc(Cl)cs2)CCCC1 ZINC000876899210 590255446 /nfs/dbraw/zinc/25/54/46/590255446.db2.gz UBWINGNETYDRDQ-UHFFFAOYSA-N 0 3 230.764 3.219 20 0 BGADHN CCCCC[C@H](C)NCc1ccc(Cl)nn1 ZINC000876906270 590255773 /nfs/dbraw/zinc/25/57/73/590255773.db2.gz VHESNAVSNWKXIZ-JTQLQIEISA-N 0 3 241.766 3.188 20 0 BGADHN CCCCC[C@@H](C)NCc1ccc(Cl)nn1 ZINC000876906271 590255935 /nfs/dbraw/zinc/25/59/35/590255935.db2.gz VHESNAVSNWKXIZ-SNVBAGLBSA-N 0 3 241.766 3.188 20 0 BGADHN Clc1csc(CNCCC2CCCC2)n1 ZINC000876914419 590256369 /nfs/dbraw/zinc/25/63/69/590256369.db2.gz YSYSVGISITZLNY-UHFFFAOYSA-N 0 3 244.791 3.466 20 0 BGADHN CC(C)CCCNCc1nc(Cl)cs1 ZINC000876914712 590256364 /nfs/dbraw/zinc/25/63/64/590256364.db2.gz GXXWUPFUFIBNHR-UHFFFAOYSA-N 0 3 232.780 3.322 20 0 BGADHN CCC(CC)CNCc1nc(Cl)cs1 ZINC000876915444 590256638 /nfs/dbraw/zinc/25/66/38/590256638.db2.gz SDYMFQAQAMUTSZ-UHFFFAOYSA-N 0 3 232.780 3.322 20 0 BGADHN C[C@@H]1CCC[C@H](NCc2nc(Cl)cs2)C1 ZINC000876916070 590257070 /nfs/dbraw/zinc/25/70/70/590257070.db2.gz JWQGTGSANYWCER-BDAKNGLRSA-N 0 3 244.791 3.465 20 0 BGADHN C[C@H]1CCC[C@@H](NCc2nc(Cl)cs2)C1 ZINC000876916071 590256893 /nfs/dbraw/zinc/25/68/93/590256893.db2.gz JWQGTGSANYWCER-DTWKUNHWSA-N 0 3 244.791 3.465 20 0 BGADHN C[C@H]1CCC[C@H](NCc2nc(Cl)cs2)C1 ZINC000876916072 590256954 /nfs/dbraw/zinc/25/69/54/590256954.db2.gz JWQGTGSANYWCER-IUCAKERBSA-N 0 3 244.791 3.465 20 0 BGADHN C[C@@H]1CCC[C@@H](NCc2nc(Cl)cs2)C1 ZINC000876916073 590256731 /nfs/dbraw/zinc/25/67/31/590256731.db2.gz JWQGTGSANYWCER-RKDXNWHRSA-N 0 3 244.791 3.465 20 0 BGADHN Clc1csc(CNCC2CCCC2)n1 ZINC000876916219 590256932 /nfs/dbraw/zinc/25/69/32/590256932.db2.gz OLTHKZPOBSUEPI-UHFFFAOYSA-N 0 3 230.764 3.076 20 0 BGADHN CC(C)(C)CCNCc1nc(Cl)cs1 ZINC000876919586 590257157 /nfs/dbraw/zinc/25/71/57/590257157.db2.gz WSSHAKXZICZTTI-UHFFFAOYSA-N 0 3 232.780 3.322 20 0 BGADHN CSC(C)(C)CCNCc1ccoc1C ZINC000876961890 590261625 /nfs/dbraw/zinc/26/16/25/590261625.db2.gz KCVJXIDLLDENCL-UHFFFAOYSA-N 0 3 227.373 3.209 20 0 BGADHN CC[C@@H](C)[C@@H](C)NCc1nc(Cl)cs1 ZINC000876970818 590263009 /nfs/dbraw/zinc/26/30/09/590263009.db2.gz ZIBBVXWOVGLUDS-HTQZYQBOSA-N 0 3 232.780 3.321 20 0 BGADHN CC[C@H](C)[C@@H](C)NCc1nc(Cl)cs1 ZINC000876970819 590263208 /nfs/dbraw/zinc/26/32/08/590263208.db2.gz ZIBBVXWOVGLUDS-JGVFFNPUSA-N 0 3 232.780 3.321 20 0 BGADHN CC[C@@H](C)[C@H](C)NCc1nc(Cl)cs1 ZINC000876970820 590263187 /nfs/dbraw/zinc/26/31/87/590263187.db2.gz ZIBBVXWOVGLUDS-SFYZADRCSA-N 0 3 232.780 3.321 20 0 BGADHN CC[C@H](C)[C@H](C)NCc1nc(Cl)cs1 ZINC000876970821 590263117 /nfs/dbraw/zinc/26/31/17/590263117.db2.gz ZIBBVXWOVGLUDS-YUMQZZPRSA-N 0 3 232.780 3.321 20 0 BGADHN C[C@@H](NCc1nc(Cl)cs1)C1(C)CC1 ZINC000876975639 590263382 /nfs/dbraw/zinc/26/33/82/590263382.db2.gz CVODTISCROANHL-SSDOTTSWSA-N 0 3 230.764 3.075 20 0 BGADHN C[C@H](NCc1nc(Cl)cs1)C1(C)CC1 ZINC000876975640 590263577 /nfs/dbraw/zinc/26/35/77/590263577.db2.gz CVODTISCROANHL-ZETCQYMHSA-N 0 3 230.764 3.075 20 0 BGADHN C[C@H](NCc1nc2ccccc2o1)C1(C)CC1 ZINC000876977262 590263880 /nfs/dbraw/zinc/26/38/80/590263880.db2.gz TYHYYRJWSZFYDA-JTQLQIEISA-N 0 3 230.311 3.106 20 0 BGADHN C[C@@H](NCc1nc2ccccc2o1)C1(C)CC1 ZINC000876977263 590263795 /nfs/dbraw/zinc/26/37/95/590263795.db2.gz TYHYYRJWSZFYDA-SNVBAGLBSA-N 0 3 230.311 3.106 20 0 BGADHN Clc1csc(CNC(C2CC2)C2CC2)n1 ZINC000876984385 590264896 /nfs/dbraw/zinc/26/48/96/590264896.db2.gz GTUKFXKFYXJWHC-UHFFFAOYSA-N 0 3 242.775 3.075 20 0 BGADHN Clc1csc(CNC[C@@H]2CC=CCC2)n1 ZINC000876987862 590265172 /nfs/dbraw/zinc/26/51/72/590265172.db2.gz LPGGPQGSXCUPMO-SECBINFHSA-N 0 3 242.775 3.242 20 0 BGADHN Clc1csc(CNC[C@H]2CC=CCC2)n1 ZINC000876987863 590265264 /nfs/dbraw/zinc/26/52/64/590265264.db2.gz LPGGPQGSXCUPMO-VIFPVBQESA-N 0 3 242.775 3.242 20 0 BGADHN CCC(C)(C)NCc1nc(Cl)cs1 ZINC000876994390 590266422 /nfs/dbraw/zinc/26/64/22/590266422.db2.gz GVSCINCMTMJRCR-UHFFFAOYSA-N 0 3 218.753 3.075 20 0 BGADHN CC(C)C(C)(C)NCc1nc(Cl)cs1 ZINC000877009645 590268816 /nfs/dbraw/zinc/26/88/16/590268816.db2.gz VCBIHVUSIAHHSM-UHFFFAOYSA-N 0 3 232.780 3.321 20 0 BGADHN CCCC(C)(C)NCc1nc(Cl)cs1 ZINC000877009734 590268844 /nfs/dbraw/zinc/26/88/44/590268844.db2.gz YDNQQAOTPOPOKB-UHFFFAOYSA-N 0 3 232.780 3.465 20 0 BGADHN CCC[C@@H](CC)NCc1nc(Cl)cs1 ZINC000877021124 590270063 /nfs/dbraw/zinc/27/00/63/590270063.db2.gz PULUPIKKVJLOLJ-MRVPVSSYSA-N 0 3 232.780 3.465 20 0 BGADHN CCC[C@H](CC)NCc1nc(Cl)cs1 ZINC000877021125 590269994 /nfs/dbraw/zinc/26/99/94/590269994.db2.gz PULUPIKKVJLOLJ-QMMMGPOBSA-N 0 3 232.780 3.465 20 0 BGADHN C[C@@H]1CCC[C@H]1NCc1nc(Cl)cs1 ZINC000877025043 590271173 /nfs/dbraw/zinc/27/11/73/590271173.db2.gz AFSRHDQQBNLKQR-HTQZYQBOSA-N 0 3 230.764 3.075 20 0 BGADHN C[C@H]1CCC[C@H]1NCc1nc(Cl)cs1 ZINC000877025044 590271160 /nfs/dbraw/zinc/27/11/60/590271160.db2.gz AFSRHDQQBNLKQR-JGVFFNPUSA-N 0 3 230.764 3.075 20 0 BGADHN C[C@@H]1CCC[C@@H]1NCc1nc(Cl)cs1 ZINC000877025045 590270907 /nfs/dbraw/zinc/27/09/07/590270907.db2.gz AFSRHDQQBNLKQR-SFYZADRCSA-N 0 3 230.764 3.075 20 0 BGADHN C[C@H]1CCC[C@@H]1NCc1nc(Cl)cs1 ZINC000877025046 590271017 /nfs/dbraw/zinc/27/10/17/590271017.db2.gz AFSRHDQQBNLKQR-YUMQZZPRSA-N 0 3 230.764 3.075 20 0 BGADHN CC1(CNCc2nc(Cl)cs2)CCCC1 ZINC000877027696 590271571 /nfs/dbraw/zinc/27/15/71/590271571.db2.gz REGWKAKZAZMION-UHFFFAOYSA-N 0 3 244.791 3.466 20 0 BGADHN C[C@H]1CC[C@H](NCc2nc(Cl)cs2)CC1 ZINC000877028714 590271662 /nfs/dbraw/zinc/27/16/62/590271662.db2.gz YZTYIVIAFWQNRK-KYZUINATSA-N 0 3 244.791 3.465 20 0 BGADHN CC(C)c1cc(CNCC2(C)CCCC2)on1 ZINC000877031478 590271406 /nfs/dbraw/zinc/27/14/06/590271406.db2.gz RLMFYILOVTZTOM-UHFFFAOYSA-N 0 3 236.359 3.468 20 0 BGADHN CCC(C)(CC)NCc1nc(Cl)cs1 ZINC000877034168 590272059 /nfs/dbraw/zinc/27/20/59/590272059.db2.gz AMNXBWFLEVDRJN-UHFFFAOYSA-N 0 3 232.780 3.465 20 0 BGADHN C[C@@H](CNCc1cc(C2CC2)no1)C(C)(C)C ZINC000877041318 590273257 /nfs/dbraw/zinc/27/32/57/590273257.db2.gz FCZJCNGTEXHKCN-JTQLQIEISA-N 0 3 236.359 3.324 20 0 BGADHN C[C@H](CNCc1cc(C2CC2)no1)C(C)(C)C ZINC000877041319 590273497 /nfs/dbraw/zinc/27/34/97/590273497.db2.gz FCZJCNGTEXHKCN-SNVBAGLBSA-N 0 3 236.359 3.324 20 0 BGADHN CCC(CC)(CC)NCc1ccc(Cl)nn1 ZINC000877043623 590274070 /nfs/dbraw/zinc/27/40/70/590274070.db2.gz LVRPQDWNGCCBFR-UHFFFAOYSA-N 0 3 241.766 3.188 20 0 BGADHN CC(C)(NCc1nc(Cl)cs1)C1CC1 ZINC000877044579 590273793 /nfs/dbraw/zinc/27/37/93/590273793.db2.gz YQGHIJJPLQEMJS-UHFFFAOYSA-N 0 3 230.764 3.075 20 0 BGADHN C[C@@H](NCc1nc(Cl)cs1)C1CCCC1 ZINC000877046030 590274072 /nfs/dbraw/zinc/27/40/72/590274072.db2.gz HBUZOGJMMWWORI-MRVPVSSYSA-N 0 3 244.791 3.465 20 0 BGADHN C[C@H](NCc1nc(Cl)cs1)C1CCCC1 ZINC000877046031 590273949 /nfs/dbraw/zinc/27/39/49/590273949.db2.gz HBUZOGJMMWWORI-QMMMGPOBSA-N 0 3 244.791 3.465 20 0 BGADHN CC(C)(C)CCCNCc1ccc(Cl)nn1 ZINC000877047087 590274460 /nfs/dbraw/zinc/27/44/60/590274460.db2.gz UTIDYCOOFOPCBF-UHFFFAOYSA-N 0 3 241.766 3.046 20 0 BGADHN CC(C)[C@H](C)CNCc1nc(Cl)cs1 ZINC000877051030 590274836 /nfs/dbraw/zinc/27/48/36/590274836.db2.gz RKDLYEOUMMZSDS-MRVPVSSYSA-N 0 3 232.780 3.178 20 0 BGADHN CC(C)[C@@H](C)CNCc1nc(Cl)cs1 ZINC000877051031 590274746 /nfs/dbraw/zinc/27/47/46/590274746.db2.gz RKDLYEOUMMZSDS-QMMMGPOBSA-N 0 3 232.780 3.178 20 0 BGADHN Clc1csc(CNCCCC2CC2)n1 ZINC000877051479 590274843 /nfs/dbraw/zinc/27/48/43/590274843.db2.gz WQOGHHOELGKRPK-UHFFFAOYSA-N 0 3 230.764 3.076 20 0 BGADHN CC(C)CCCCNCc1cc(C2CC2)no1 ZINC000877059012 590276047 /nfs/dbraw/zinc/27/60/47/590276047.db2.gz PJLYMIORPIQGGT-UHFFFAOYSA-N 0 3 236.359 3.468 20 0 BGADHN Cc1cccc(F)c1CN[C@@H](C)[C@H]1CC1(F)F ZINC000877067343 590276798 /nfs/dbraw/zinc/27/67/98/590276798.db2.gz CAXNEYUCJXUGRJ-GXSJLCMTSA-N 0 3 243.272 3.267 20 0 BGADHN Cc1cccc(F)c1CN[C@H](C)[C@@H]1CC1(F)F ZINC000877067344 590276924 /nfs/dbraw/zinc/27/69/24/590276924.db2.gz CAXNEYUCJXUGRJ-KOLCDFICSA-N 0 3 243.272 3.267 20 0 BGADHN Cc1cccc(F)c1CN[C@H](C)[C@H]1CC1(F)F ZINC000877067345 590276887 /nfs/dbraw/zinc/27/68/87/590276887.db2.gz CAXNEYUCJXUGRJ-MWLCHTKSSA-N 0 3 243.272 3.267 20 0 BGADHN Cc1cccc(F)c1CN[C@@H](C)[C@@H]1CC1(F)F ZINC000877067346 590276854 /nfs/dbraw/zinc/27/68/54/590276854.db2.gz CAXNEYUCJXUGRJ-ONGXEEELSA-N 0 3 243.272 3.267 20 0 BGADHN CC[C@@H](C)C[C@@H](C)NCc1ccc(Cl)nn1 ZINC000877067688 590277137 /nfs/dbraw/zinc/27/71/37/590277137.db2.gz KVPXWYVXGGFFFZ-NXEZZACHSA-N 0 3 241.766 3.044 20 0 BGADHN CC[C@H](C)C[C@H](C)NCc1ccc(Cl)nn1 ZINC000877067689 590277129 /nfs/dbraw/zinc/27/71/29/590277129.db2.gz KVPXWYVXGGFFFZ-UWVGGRQHSA-N 0 3 241.766 3.044 20 0 BGADHN CC[C@H](C)C[C@@H](C)NCc1ccc(Cl)nn1 ZINC000877067690 590277198 /nfs/dbraw/zinc/27/71/98/590277198.db2.gz KVPXWYVXGGFFFZ-VHSXEESVSA-N 0 3 241.766 3.044 20 0 BGADHN CC[C@@H](C)C[C@H](C)NCc1ccc(Cl)nn1 ZINC000877067691 590277282 /nfs/dbraw/zinc/27/72/82/590277282.db2.gz KVPXWYVXGGFFFZ-ZJUUUORDSA-N 0 3 241.766 3.044 20 0 BGADHN Cc1cccc(F)c1CN[C@H]1CS[C@H](C)C1 ZINC000877068201 590276630 /nfs/dbraw/zinc/27/66/30/590276630.db2.gz OHVBELVLSKRKNO-GHMZBOCLSA-N 0 3 239.359 3.118 20 0 BGADHN Cc1cccc(F)c1CN[C@@H]1CS[C@H](C)C1 ZINC000877068202 590276843 /nfs/dbraw/zinc/27/68/43/590276843.db2.gz OHVBELVLSKRKNO-MNOVXSKESA-N 0 3 239.359 3.118 20 0 BGADHN Cc1cccc(F)c1CN[C@@H]1CS[C@@H](C)C1 ZINC000877068203 590276812 /nfs/dbraw/zinc/27/68/12/590276812.db2.gz OHVBELVLSKRKNO-QWRGUYRKSA-N 0 3 239.359 3.118 20 0 BGADHN Cc1cccc(F)c1CN[C@H]1CS[C@@H](C)C1 ZINC000877068204 590276564 /nfs/dbraw/zinc/27/65/64/590276564.db2.gz OHVBELVLSKRKNO-WDEREUQCSA-N 0 3 239.359 3.118 20 0 BGADHN c1cc(CNC2CCC(=C3CCC3)CC2)no1 ZINC000877075224 590278280 /nfs/dbraw/zinc/27/82/80/590278280.db2.gz AQKPLWIUDHTADI-UHFFFAOYSA-N 0 3 232.327 3.187 20 0 BGADHN CC1=C(C)C[C@H]([C@@H](C)NCc2ccon2)CC1 ZINC000877075537 590278879 /nfs/dbraw/zinc/27/88/79/590278879.db2.gz FVODDDAJHKNEQX-CHWSQXEVSA-N 0 3 234.343 3.289 20 0 BGADHN CC1=C(C)C[C@@H]([C@@H](C)NCc2ccon2)CC1 ZINC000877075538 590278619 /nfs/dbraw/zinc/27/86/19/590278619.db2.gz FVODDDAJHKNEQX-OLZOCXBDSA-N 0 3 234.343 3.289 20 0 BGADHN CC1=C(C)C[C@H]([C@H](C)NCc2ccon2)CC1 ZINC000877075539 590278959 /nfs/dbraw/zinc/27/89/59/590278959.db2.gz FVODDDAJHKNEQX-QWHCGFSZSA-N 0 3 234.343 3.289 20 0 BGADHN CC1=C(C)C[C@@H]([C@H](C)NCc2ccon2)CC1 ZINC000877075540 590278902 /nfs/dbraw/zinc/27/89/02/590278902.db2.gz FVODDDAJHKNEQX-STQMWFEESA-N 0 3 234.343 3.289 20 0 BGADHN CC(C)C1(CNCc2nc(Cl)cs2)CC1 ZINC000877076142 590278612 /nfs/dbraw/zinc/27/86/12/590278612.db2.gz KAIGZTHUUQYTTI-UHFFFAOYSA-N 0 3 244.791 3.322 20 0 BGADHN CCC1(CNCc2nc(Cl)cs2)CC1 ZINC000877077964 590279261 /nfs/dbraw/zinc/27/92/61/590279261.db2.gz XDPRNVMMRGETET-UHFFFAOYSA-N 0 3 230.764 3.076 20 0 BGADHN CC1(C)CCC[C@H]1NCc1nc(Cl)cs1 ZINC000877078587 590279242 /nfs/dbraw/zinc/27/92/42/590279242.db2.gz VVSBRTRQMMSFIT-MRVPVSSYSA-N 0 3 244.791 3.465 20 0 BGADHN CC1(C)CCC[C@@H]1NCc1nc(Cl)cs1 ZINC000877078588 590279200 /nfs/dbraw/zinc/27/92/00/590279200.db2.gz VVSBRTRQMMSFIT-QMMMGPOBSA-N 0 3 244.791 3.465 20 0 BGADHN CC1(CNCc2nc(Cl)cs2)CCC1 ZINC000877078837 590279382 /nfs/dbraw/zinc/27/93/82/590279382.db2.gz GYEVFGJQIFSSEQ-UHFFFAOYSA-N 0 3 230.764 3.076 20 0 BGADHN CCC1(CNCc2nc(Cl)cs2)CCC1 ZINC000877080004 590279951 /nfs/dbraw/zinc/27/99/51/590279951.db2.gz MYORSEHJVJZKBT-UHFFFAOYSA-N 0 3 244.791 3.466 20 0 BGADHN CCC1(NCc2nc(Cl)cs2)CCC1 ZINC000877080835 590280074 /nfs/dbraw/zinc/28/00/74/590280074.db2.gz WCBVUVACABWLRX-UHFFFAOYSA-N 0 3 230.764 3.219 20 0 BGADHN CC[C@@H]1CCC[C@@H]1NCc1nc(Cl)cs1 ZINC000877085502 590280423 /nfs/dbraw/zinc/28/04/23/590280423.db2.gz OWBZTAOTVLTTRC-BDAKNGLRSA-N 0 3 244.791 3.465 20 0 BGADHN CC[C@H]1CCC[C@H]1NCc1nc(Cl)cs1 ZINC000877085504 590280175 /nfs/dbraw/zinc/28/01/75/590280175.db2.gz OWBZTAOTVLTTRC-DTWKUNHWSA-N 0 3 244.791 3.465 20 0 BGADHN CC[C@H]1CCC[C@@H]1NCc1nc(Cl)cs1 ZINC000877085506 590279778 /nfs/dbraw/zinc/27/97/78/590279778.db2.gz OWBZTAOTVLTTRC-IUCAKERBSA-N 0 3 244.791 3.465 20 0 BGADHN CC[C@@H]1CCC[C@H]1NCc1nc(Cl)cs1 ZINC000877085508 590279855 /nfs/dbraw/zinc/27/98/55/590279855.db2.gz OWBZTAOTVLTTRC-RKDXNWHRSA-N 0 3 244.791 3.465 20 0 BGADHN Clc1nccc2oc(CNC3CC=CC3)cc21 ZINC000877093564 590281517 /nfs/dbraw/zinc/28/15/17/590281517.db2.gz JNLDCJLIOZBXIC-UHFFFAOYSA-N 0 3 248.713 3.289 20 0 BGADHN CCCC1(CNCc2nc(Cl)cs2)CC1 ZINC000877093884 590281524 /nfs/dbraw/zinc/28/15/24/590281524.db2.gz MBAAZFLDFXAUAR-UHFFFAOYSA-N 0 3 244.791 3.466 20 0 BGADHN CCOc1cccc(F)c1CNC1CC=CC1 ZINC000877095458 590282136 /nfs/dbraw/zinc/28/21/36/590282136.db2.gz YYGXQMAZBKJHFX-UHFFFAOYSA-N 0 3 235.302 3.033 20 0 BGADHN c1ccc2oc(CNCCC3CCC3)nc2c1 ZINC000877103539 590283751 /nfs/dbraw/zinc/28/37/51/590283751.db2.gz OLQREFPZHKLFNC-UHFFFAOYSA-N 0 3 230.311 3.108 20 0 BGADHN Clc1csc(CNCCC2CCC2)n1 ZINC000877103857 590284022 /nfs/dbraw/zinc/28/40/22/590284022.db2.gz ULQKIHMCRLUFHK-UHFFFAOYSA-N 0 3 230.764 3.076 20 0 BGADHN CC(C)C[C@@H](C)NCc1nc(Cl)cs1 ZINC000877111299 590287513 /nfs/dbraw/zinc/28/75/13/590287513.db2.gz GSOROVBOVGQVIW-MRVPVSSYSA-N 0 3 232.780 3.321 20 0 BGADHN CC(C)C[C@H](C)NCc1nc(Cl)cs1 ZINC000877111302 590287471 /nfs/dbraw/zinc/28/74/71/590287471.db2.gz GSOROVBOVGQVIW-QMMMGPOBSA-N 0 3 232.780 3.321 20 0 BGADHN Clc1csc(CNCC2(C3CC3)CC2)n1 ZINC000877113477 590288018 /nfs/dbraw/zinc/28/80/18/590288018.db2.gz LVTPJUFHXZJTOY-UHFFFAOYSA-N 0 3 242.775 3.076 20 0 BGADHN Cc1cc(C)nc(NC[C@H]2CC2(Cl)Cl)c1 ZINC000877115628 590287705 /nfs/dbraw/zinc/28/77/05/590287705.db2.gz RUBQYFMBXZKVLX-SECBINFHSA-N 0 3 245.153 3.304 20 0 BGADHN Cc1cc(C)nc(NC[C@@H]2CC2(Cl)Cl)c1 ZINC000877115629 590287765 /nfs/dbraw/zinc/28/77/65/590287765.db2.gz RUBQYFMBXZKVLX-VIFPVBQESA-N 0 3 245.153 3.304 20 0 BGADHN CC1(C)CC[C@@H](NCc2nc(Cl)cs2)C1 ZINC000877118596 590288473 /nfs/dbraw/zinc/28/84/73/590288473.db2.gz HHBVKTZMIPKVBF-MRVPVSSYSA-N 0 3 244.791 3.465 20 0 BGADHN CC1(C)CC[C@H](NCc2nc(Cl)cs2)C1 ZINC000877118597 584890792 /nfs/dbraw/zinc/89/07/92/584890792.db2.gz HHBVKTZMIPKVBF-QMMMGPOBSA-N 0 3 244.791 3.465 20 0 BGADHN C[C@@H](NCc1nc(Cl)cs1)C1CCC1 ZINC000877123800 590289274 /nfs/dbraw/zinc/28/92/74/590289274.db2.gz OOXZMYDCQSCHID-SSDOTTSWSA-N 0 3 230.764 3.075 20 0 BGADHN C[C@H](NCc1nc(Cl)cs1)C1CCC1 ZINC000877123801 590289497 /nfs/dbraw/zinc/28/94/97/590289497.db2.gz OOXZMYDCQSCHID-ZETCQYMHSA-N 0 3 230.764 3.075 20 0 BGADHN CC1=C(C)C[C@@H]([C@H](C)NCc2ccn(C)n2)CC1 ZINC000877125281 590289899 /nfs/dbraw/zinc/28/98/99/590289899.db2.gz JOZSPAAKRZGGQF-KBPBESRZSA-N 0 3 247.386 3.035 20 0 BGADHN CC1=C(C)C[C@@H]([C@@H](C)NCc2ccn(C)n2)CC1 ZINC000877125282 590289880 /nfs/dbraw/zinc/28/98/80/590289880.db2.gz JOZSPAAKRZGGQF-KGLIPLIRSA-N 0 3 247.386 3.035 20 0 BGADHN CC1=C(C)C[C@H]([C@H](C)NCc2ccn(C)n2)CC1 ZINC000877125283 590290231 /nfs/dbraw/zinc/29/02/31/590290231.db2.gz JOZSPAAKRZGGQF-UONOGXRCSA-N 0 3 247.386 3.035 20 0 BGADHN CC1=C(C)C[C@H]([C@@H](C)NCc2ccn(C)n2)CC1 ZINC000877125284 590290167 /nfs/dbraw/zinc/29/01/67/590290167.db2.gz JOZSPAAKRZGGQF-ZIAGYGMSSA-N 0 3 247.386 3.035 20 0 BGADHN CSC(C)(C)CCN(C)Cc1cccnc1 ZINC000877168049 590295483 /nfs/dbraw/zinc/29/54/83/590295483.db2.gz DQLOTCQHHRXOGB-UHFFFAOYSA-N 0 3 238.400 3.045 20 0 BGADHN CN(Cc1cccnc1)CC1(C)CCCC1 ZINC000877169115 590295696 /nfs/dbraw/zinc/29/56/96/590295696.db2.gz HBMXEXSAFGLQTQ-UHFFFAOYSA-N 0 3 218.344 3.094 20 0 BGADHN c1ccc2oc(CNC34CCC(CC3)C4)nc2c1 ZINC000877309379 590311848 /nfs/dbraw/zinc/31/18/48/590311848.db2.gz KPHUOUWNTFIRQR-UHFFFAOYSA-N 0 3 242.322 3.250 20 0 BGADHN Clc1csc(CNC23CCC(CC2)C3)n1 ZINC000877310003 590312131 /nfs/dbraw/zinc/31/21/31/590312131.db2.gz XHYZDOJCTBDLPY-UHFFFAOYSA-N 0 3 242.775 3.219 20 0 BGADHN CN(Cc1ccncc1)CC1(C)CCCC1 ZINC000877317890 590313900 /nfs/dbraw/zinc/31/39/00/590313900.db2.gz DZVHTZZIIANYEQ-UHFFFAOYSA-N 0 3 218.344 3.094 20 0 BGADHN CN(Cc1ccccn1)CC1(C)CCCC1 ZINC000877319202 590314476 /nfs/dbraw/zinc/31/44/76/590314476.db2.gz RUCWADZBXILUJC-UHFFFAOYSA-N 0 3 218.344 3.094 20 0 BGADHN C[C@H](CCC1CC1)NCc1nc(Cl)cs1 ZINC000877399277 590322723 /nfs/dbraw/zinc/32/27/23/590322723.db2.gz MANXJWBFESTYJT-MRVPVSSYSA-N 0 3 244.791 3.465 20 0 BGADHN C[C@@H](CCC1CC1)NCc1nc(Cl)cs1 ZINC000877399279 590323104 /nfs/dbraw/zinc/32/31/04/590323104.db2.gz MANXJWBFESTYJT-QMMMGPOBSA-N 0 3 244.791 3.465 20 0 BGADHN CC[C@]1(C)COCCN1CCC(C)(C)SC ZINC000877407453 590323978 /nfs/dbraw/zinc/32/39/78/590323978.db2.gz RFCGBTBKMGUGJS-CYBMUJFWSA-N 0 3 245.432 3.019 20 0 BGADHN CC[C@@]1(C)COCCN1CCC(C)(C)SC ZINC000877407454 590324254 /nfs/dbraw/zinc/32/42/54/590324254.db2.gz RFCGBTBKMGUGJS-ZDUSSCGKSA-N 0 3 245.432 3.019 20 0 BGADHN CC1(C)CC(CNCc2nc(Cl)cs2)C1 ZINC000877458874 645797450 /nfs/dbraw/zinc/79/74/50/645797450.db2.gz BRWAQBNQKDDDQW-UHFFFAOYSA-N 0 3 244.791 3.322 20 0 BGADHN C[C@@H]1CC[C@@H](NCc2nc3ccccc3o2)C1 ZINC000877460883 590331805 /nfs/dbraw/zinc/33/18/05/590331805.db2.gz YWBYPMCUZBBWSJ-GHMZBOCLSA-N 0 3 230.311 3.106 20 0 BGADHN C[C@@H]1CC[C@H](NCc2nc3ccccc3o2)C1 ZINC000877460884 590331718 /nfs/dbraw/zinc/33/17/18/590331718.db2.gz YWBYPMCUZBBWSJ-MNOVXSKESA-N 0 3 230.311 3.106 20 0 BGADHN C[C@H]1CC[C@H](NCc2nc3ccccc3o2)C1 ZINC000877460885 590331226 /nfs/dbraw/zinc/33/12/26/590331226.db2.gz YWBYPMCUZBBWSJ-QWRGUYRKSA-N 0 3 230.311 3.106 20 0 BGADHN C[C@H]1CC[C@@H](NCc2nc3ccccc3o2)C1 ZINC000877460886 590331737 /nfs/dbraw/zinc/33/17/37/590331737.db2.gz YWBYPMCUZBBWSJ-WDEREUQCSA-N 0 3 230.311 3.106 20 0 BGADHN C[C@@H]1CC[C@@H](NCc2nc(Cl)cs2)C1 ZINC000877460887 590331336 /nfs/dbraw/zinc/33/13/36/590331336.db2.gz YWRANEGLUJKOFI-HTQZYQBOSA-N 0 3 230.764 3.075 20 0 BGADHN C[C@H]1CC[C@@H](NCc2nc(Cl)cs2)C1 ZINC000877460888 590331532 /nfs/dbraw/zinc/33/15/32/590331532.db2.gz YWRANEGLUJKOFI-JGVFFNPUSA-N 0 3 230.764 3.075 20 0 BGADHN C[C@@H]1CC[C@H](NCc2nc(Cl)cs2)C1 ZINC000877460889 590331476 /nfs/dbraw/zinc/33/14/76/590331476.db2.gz YWRANEGLUJKOFI-SFYZADRCSA-N 0 3 230.764 3.075 20 0 BGADHN C[C@H]1CC[C@H](NCc2nc(Cl)cs2)C1 ZINC000877460890 590331162 /nfs/dbraw/zinc/33/11/62/590331162.db2.gz YWRANEGLUJKOFI-YUMQZZPRSA-N 0 3 230.764 3.075 20 0 BGADHN c1cc(CN2CCCC3(CCCC3)C2)sn1 ZINC000877462658 590332806 /nfs/dbraw/zinc/33/28/06/590332806.db2.gz UTJZWKLKUWPFOQ-UHFFFAOYSA-N 0 3 236.384 3.299 20 0 BGADHN CC1(CN2CCc3ncsc3C2)CCCC1 ZINC000877462865 590329215 /nfs/dbraw/zinc/32/92/15/590329215.db2.gz YMKMWBYKBJOUHP-UHFFFAOYSA-N 0 3 236.384 3.082 20 0 BGADHN CC[C@]1(C)CN(CCC(C)(C)SC)CCO1 ZINC000877464037 590332753 /nfs/dbraw/zinc/33/27/53/590332753.db2.gz ITSWKIMXUXDGQF-CYBMUJFWSA-N 0 3 245.432 3.019 20 0 BGADHN CC[C@@]1(C)CN(CCC(C)(C)SC)CCO1 ZINC000877464038 590332413 /nfs/dbraw/zinc/33/24/13/590332413.db2.gz ITSWKIMXUXDGQF-ZDUSSCGKSA-N 0 3 245.432 3.019 20 0 BGADHN CC(C)C1CC(NCc2cc(C3CC3)no2)C1 ZINC000877474612 590336186 /nfs/dbraw/zinc/33/61/86/590336186.db2.gz CKBCKMMYEMYVSS-UHFFFAOYSA-N 0 3 234.343 3.076 20 0 BGADHN CCC(C)(C)CNCc1nc(Cl)cs1 ZINC000877477117 590335905 /nfs/dbraw/zinc/33/59/05/590335905.db2.gz XTLXZQQEMAIUKJ-UHFFFAOYSA-N 0 3 232.780 3.322 20 0 BGADHN CC1(CCNCc2nc(Cl)cs2)CC1 ZINC000877487311 590339088 /nfs/dbraw/zinc/33/90/88/590339088.db2.gz SPCAWIQLKSFSIF-UHFFFAOYSA-N 0 3 230.764 3.076 20 0 BGADHN C[C@@H]1C[C@@H](C)N1Cc1cnc2c(F)cccc2c1 ZINC000877488218 590338547 /nfs/dbraw/zinc/33/85/47/590338547.db2.gz ZQMITVXVYFJSQH-GHMZBOCLSA-N 0 3 244.313 3.357 20 0 BGADHN C[C@@H]1C[C@H](C)N1Cc1cnc2c(F)cccc2c1 ZINC000877488220 590338450 /nfs/dbraw/zinc/33/84/50/590338450.db2.gz ZQMITVXVYFJSQH-PHIMTYICSA-N 0 3 244.313 3.357 20 0 BGADHN C[C@H]1C[C@H](C)N1Cc1cnc2c(F)cccc2c1 ZINC000877488222 590338999 /nfs/dbraw/zinc/33/89/99/590338999.db2.gz ZQMITVXVYFJSQH-QWRGUYRKSA-N 0 3 244.313 3.357 20 0 BGADHN CC(C)O[C@@H](CN1CC(C)C1)c1ccccc1 ZINC000877488849 590338608 /nfs/dbraw/zinc/33/86/08/590338608.db2.gz ORNBRCMVWCVPIH-HNNXBMFYSA-N 0 3 233.355 3.104 20 0 BGADHN CC(C)O[C@H](CN1CC(C)C1)c1ccccc1 ZINC000877488850 590339207 /nfs/dbraw/zinc/33/92/07/590339207.db2.gz ORNBRCMVWCVPIH-OAHLLOKOSA-N 0 3 233.355 3.104 20 0 BGADHN C[C@@H]1CC[C@H](CNCc2nc(Cl)cs2)C1 ZINC000877492541 590339524 /nfs/dbraw/zinc/33/95/24/590339524.db2.gz ZCVLMKUFSSUNPR-BDAKNGLRSA-N 0 3 244.791 3.322 20 0 BGADHN C[C@H]1CC[C@@H](CNCc2nc(Cl)cs2)C1 ZINC000877492542 590339577 /nfs/dbraw/zinc/33/95/77/590339577.db2.gz ZCVLMKUFSSUNPR-DTWKUNHWSA-N 0 3 244.791 3.322 20 0 BGADHN C[C@H]1CC[C@H](CNCc2nc(Cl)cs2)C1 ZINC000877492543 590340067 /nfs/dbraw/zinc/34/00/67/590340067.db2.gz ZCVLMKUFSSUNPR-IUCAKERBSA-N 0 3 244.791 3.322 20 0 BGADHN C[C@@H]1CC[C@@H](CNCc2nc(Cl)cs2)C1 ZINC000877492544 590339714 /nfs/dbraw/zinc/33/97/14/590339714.db2.gz ZCVLMKUFSSUNPR-RKDXNWHRSA-N 0 3 244.791 3.322 20 0 BGADHN FCCNCc1cc2nc(Cl)ccc2s1 ZINC000877495659 590340105 /nfs/dbraw/zinc/34/01/05/590340105.db2.gz GTQSTRSFLQKIML-UHFFFAOYSA-N 0 3 244.722 3.009 20 0 BGADHN C[C@@H]1CCC[C@H]1CNCc1nc(Cl)cs1 ZINC000877502102 590341775 /nfs/dbraw/zinc/34/17/75/590341775.db2.gz YKOXXXZOUDXBNR-BDAKNGLRSA-N 0 3 244.791 3.322 20 0 BGADHN C[C@H]1CCC[C@@H]1CNCc1nc(Cl)cs1 ZINC000877502103 590341369 /nfs/dbraw/zinc/34/13/69/590341369.db2.gz YKOXXXZOUDXBNR-DTWKUNHWSA-N 0 3 244.791 3.322 20 0 BGADHN C[C@H]1CCC[C@H]1CNCc1nc(Cl)cs1 ZINC000877502104 590341662 /nfs/dbraw/zinc/34/16/62/590341662.db2.gz YKOXXXZOUDXBNR-IUCAKERBSA-N 0 3 244.791 3.322 20 0 BGADHN C[C@@H]1CCC[C@@H]1CNCc1nc(Cl)cs1 ZINC000877502105 590341891 /nfs/dbraw/zinc/34/18/91/590341891.db2.gz YKOXXXZOUDXBNR-RKDXNWHRSA-N 0 3 244.791 3.322 20 0 BGADHN Cc1noc([C@H]2CCCN2CC2(C)CCCC2)n1 ZINC000877522863 590347019 /nfs/dbraw/zinc/34/70/19/590347019.db2.gz HUCHICQOTZPKHA-GFCCVEGCSA-N 0 3 249.358 3.095 20 0 BGADHN Cc1noc([C@@H]2CCCN2CC2(C)CCCC2)n1 ZINC000877522864 590347260 /nfs/dbraw/zinc/34/72/60/590347260.db2.gz HUCHICQOTZPKHA-LBPRGKRZSA-N 0 3 249.358 3.095 20 0 BGADHN Cc1ncc([C@H](C)NC2C(C)(C)C2(C)C)c(C)n1 ZINC000877528891 590349074 /nfs/dbraw/zinc/34/90/74/590349074.db2.gz NLIGKRGHVCZWNR-JTQLQIEISA-N 0 3 247.386 3.179 20 0 BGADHN Cc1ncc([C@@H](C)NC2C(C)(C)C2(C)C)c(C)n1 ZINC000877528892 590348609 /nfs/dbraw/zinc/34/86/09/590348609.db2.gz NLIGKRGHVCZWNR-SNVBAGLBSA-N 0 3 247.386 3.179 20 0 BGADHN ClC1(Cl)C[C@@H]1CN1CC2(C1)CCCC2 ZINC000877533446 590349966 /nfs/dbraw/zinc/34/99/66/590349966.db2.gz OEBDAVKHJXEKJA-SECBINFHSA-N 0 3 234.170 3.056 20 0 BGADHN ClC1(Cl)C[C@H]1CN1CC2(C1)CCCC2 ZINC000877533447 590350163 /nfs/dbraw/zinc/35/01/63/590350163.db2.gz OEBDAVKHJXEKJA-VIFPVBQESA-N 0 3 234.170 3.056 20 0 BGADHN CC1(CNCc2noc3c2CCCC3)CCCC1 ZINC000877535300 590349961 /nfs/dbraw/zinc/34/99/61/590349961.db2.gz YMTFFPYEVCPULN-UHFFFAOYSA-N 0 3 248.370 3.223 20 0 BGADHN CCC(CC)N(CC)Cc1ccc(Cl)nn1 ZINC000877536258 590351281 /nfs/dbraw/zinc/35/12/81/590351281.db2.gz MNNALIQLADKJSF-UHFFFAOYSA-N 0 3 241.766 3.141 20 0 BGADHN CC1(C)CN(C[C@H]2CC2(Cl)Cl)[C@@H]1C1CC1 ZINC000877540201 590350558 /nfs/dbraw/zinc/35/05/58/590350558.db2.gz ZJVHNHQPUSNAHF-NXEZZACHSA-N 0 3 248.197 3.301 20 0 BGADHN CC1(C)CN(C[C@@H]2CC2(Cl)Cl)[C@H]1C1CC1 ZINC000877540203 590350523 /nfs/dbraw/zinc/35/05/23/590350523.db2.gz ZJVHNHQPUSNAHF-UWVGGRQHSA-N 0 3 248.197 3.301 20 0 BGADHN CC1(C)CN(C[C@@H]2CC2(Cl)Cl)[C@@H]1C1CC1 ZINC000877540205 590350853 /nfs/dbraw/zinc/35/08/53/590350853.db2.gz ZJVHNHQPUSNAHF-VHSXEESVSA-N 0 3 248.197 3.301 20 0 BGADHN CC1(C)CN(C[C@H]2CC2(Cl)Cl)[C@H]1C1CC1 ZINC000877540206 590350703 /nfs/dbraw/zinc/35/07/03/590350703.db2.gz ZJVHNHQPUSNAHF-ZJUUUORDSA-N 0 3 248.197 3.301 20 0 BGADHN CC(C)(C)C(C)(C)NCc1ccc(Cl)nn1 ZINC000877548892 590354233 /nfs/dbraw/zinc/35/42/33/590354233.db2.gz VWEUHJLYIZHRSG-UHFFFAOYSA-N 0 3 241.766 3.044 20 0 BGADHN CCc1nocc1CN(C)CC1(C)CCCC1 ZINC000877553127 590355566 /nfs/dbraw/zinc/35/55/66/590355566.db2.gz YAPGMTXLAFGFDR-UHFFFAOYSA-N 0 3 236.359 3.249 20 0 BGADHN C[C@@]1(CN2CC3(CC3)C2)C[C@H]1c1ccccc1 ZINC000877556179 590357193 /nfs/dbraw/zinc/35/71/93/590357193.db2.gz AZLHIZHWHFGOCG-GJZGRUSLSA-N 0 3 227.351 3.276 20 0 BGADHN CC(C)O[C@@H](CN1CC2(CC2)C1)c1ccccc1 ZINC000877556203 590357358 /nfs/dbraw/zinc/35/73/58/590357358.db2.gz BXRDIDCCHDYOBJ-HNNXBMFYSA-N 0 3 245.366 3.249 20 0 BGADHN CC(C)O[C@H](CN1CC2(CC2)C1)c1ccccc1 ZINC000877556204 590358153 /nfs/dbraw/zinc/35/81/53/590358153.db2.gz BXRDIDCCHDYOBJ-OAHLLOKOSA-N 0 3 245.366 3.249 20 0 BGADHN CC(F)(F)CCNCc1cccc(Cl)c1N ZINC000877557953 590358442 /nfs/dbraw/zinc/35/84/42/590358442.db2.gz SKSROIFDQKHFNM-UHFFFAOYSA-N 0 3 248.704 3.057 20 0 BGADHN CCC[C@@H](NC(CF)CF)[C@H]1CC1(C)C ZINC000877559819 590359297 /nfs/dbraw/zinc/35/92/97/590359297.db2.gz XEMVHXRKMXVOKG-GHMZBOCLSA-N 0 3 219.319 3.098 20 0 BGADHN CCC[C@H](NC(CF)CF)[C@H]1CC1(C)C ZINC000877559820 590358843 /nfs/dbraw/zinc/35/88/43/590358843.db2.gz XEMVHXRKMXVOKG-MNOVXSKESA-N 0 3 219.319 3.098 20 0 BGADHN CCC[C@H](NC(CF)CF)[C@@H]1CC1(C)C ZINC000877559821 590358570 /nfs/dbraw/zinc/35/85/70/590358570.db2.gz XEMVHXRKMXVOKG-QWRGUYRKSA-N 0 3 219.319 3.098 20 0 BGADHN CCC[C@@H](NC(CF)CF)[C@@H]1CC1(C)C ZINC000877559822 590358586 /nfs/dbraw/zinc/35/85/86/590358586.db2.gz XEMVHXRKMXVOKG-WDEREUQCSA-N 0 3 219.319 3.098 20 0 BGADHN Cc1nocc1CN[C@H](C)Cc1cccc(C)c1 ZINC000877563417 590361244 /nfs/dbraw/zinc/36/12/44/590361244.db2.gz LXJYBRUKMYHXMF-GFCCVEGCSA-N 0 3 244.338 3.012 20 0 BGADHN Cc1nocc1CN[C@@H](C)Cc1cccc(C)c1 ZINC000877563418 590361037 /nfs/dbraw/zinc/36/10/37/590361037.db2.gz LXJYBRUKMYHXMF-LBPRGKRZSA-N 0 3 244.338 3.012 20 0 BGADHN CC(C)(NCc1nc(Cl)cs1)C1CCC1 ZINC000877567022 590361886 /nfs/dbraw/zinc/36/18/86/590361886.db2.gz SRLYBDZIVKBCHD-UHFFFAOYSA-N 0 3 244.791 3.465 20 0 BGADHN CC(C)[C@@H]1C[C@H]1CNCc1nc(Cl)cs1 ZINC000877568679 583335047 /nfs/dbraw/zinc/33/50/47/583335047.db2.gz ACVDTYCCBJZAEI-IUCAKERBSA-N 0 3 244.791 3.178 20 0 BGADHN CCCc1ncc(CNCC2(C)CCCC2)o1 ZINC000877572855 590362534 /nfs/dbraw/zinc/36/25/34/590362534.db2.gz LUOWQVSUNDLAFH-UHFFFAOYSA-N 0 3 236.359 3.297 20 0 BGADHN C[C@H](CC(C)(C)C)NCc1ccc(Cl)nn1 ZINC000877577955 590363741 /nfs/dbraw/zinc/36/37/41/590363741.db2.gz PAPRFHICBHHMMY-SECBINFHSA-N 0 3 241.766 3.044 20 0 BGADHN C[C@@H](CC(C)(C)C)NCc1ccc(Cl)nn1 ZINC000877577956 590363823 /nfs/dbraw/zinc/36/38/23/590363823.db2.gz PAPRFHICBHHMMY-VIFPVBQESA-N 0 3 241.766 3.044 20 0 BGADHN CCC1CN(Cc2cnc3c(F)cccc3c2)C1 ZINC000877579669 590365081 /nfs/dbraw/zinc/36/50/81/590365081.db2.gz XUGLMZBGXKZYJV-UHFFFAOYSA-N 0 3 244.313 3.216 20 0 BGADHN CCC1(CC)CN(C[C@H]2CC2(Cl)Cl)C1 ZINC000877579853 590364777 /nfs/dbraw/zinc/36/47/77/590364777.db2.gz FWABPNDHJBDEOY-SECBINFHSA-N 0 3 236.186 3.302 20 0 BGADHN CCC1(CC)CN(C[C@@H]2CC2(Cl)Cl)C1 ZINC000877579854 590353789 /nfs/dbraw/zinc/35/37/89/590353789.db2.gz FWABPNDHJBDEOY-VIFPVBQESA-N 0 3 236.186 3.302 20 0 BGADHN ClC1(Cl)C[C@H]1CN1CC2(C1)CCCCC2 ZINC000877580116 590364675 /nfs/dbraw/zinc/36/46/75/590364675.db2.gz MUYSEVKCLLNIOU-JTQLQIEISA-N 0 3 248.197 3.446 20 0 BGADHN ClC1(Cl)C[C@@H]1CN1CC2(C1)CCCCC2 ZINC000877580117 590364888 /nfs/dbraw/zinc/36/48/88/590364888.db2.gz MUYSEVKCLLNIOU-SNVBAGLBSA-N 0 3 248.197 3.446 20 0 BGADHN ClC1(Cl)C[C@@H]1CN1CC(C2CCCC2)C1 ZINC000877581485 590365640 /nfs/dbraw/zinc/36/56/40/590365640.db2.gz GIRCESDVNOVSLK-LLVKDONJSA-N 0 3 248.197 3.302 20 0 BGADHN ClC1(Cl)C[C@H]1CN1CC(C2CCCC2)C1 ZINC000877581486 590366051 /nfs/dbraw/zinc/36/60/51/590366051.db2.gz GIRCESDVNOVSLK-NSHDSACASA-N 0 3 248.197 3.302 20 0 BGADHN CC(C)(C)C1CN(C[C@H]2CC2(Cl)Cl)C1 ZINC000877582169 590365849 /nfs/dbraw/zinc/36/58/49/590365849.db2.gz LKCGTYUQYNVJSR-MRVPVSSYSA-N 0 3 236.186 3.158 20 0 BGADHN CC(C)(C)C1CN(C[C@@H]2CC2(Cl)Cl)C1 ZINC000877582170 590365432 /nfs/dbraw/zinc/36/54/32/590365432.db2.gz LKCGTYUQYNVJSR-QMMMGPOBSA-N 0 3 236.186 3.158 20 0 BGADHN C[C@@]1(NCc2nc(Cl)cs2)CC=CCC1 ZINC000877586122 590367353 /nfs/dbraw/zinc/36/73/53/590367353.db2.gz TURXDPITNRLPQD-LLVKDONJSA-N 0 3 242.775 3.385 20 0 BGADHN C[C@]1(NCc2nc(Cl)cs2)CC=CCC1 ZINC000877586123 590367479 /nfs/dbraw/zinc/36/74/79/590367479.db2.gz TURXDPITNRLPQD-NSHDSACASA-N 0 3 242.775 3.385 20 0 BGADHN Clc1csc(CN[C@@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC000877586288 590367628 /nfs/dbraw/zinc/36/76/28/590367628.db2.gz ZKWNADMPMDYLSD-HRDYMLBCSA-N 0 3 242.775 3.075 20 0 BGADHN Clc1csc(CN[C@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC000877586289 590368102 /nfs/dbraw/zinc/36/81/02/590368102.db2.gz ZKWNADMPMDYLSD-VGMNWLOBSA-N 0 3 242.775 3.075 20 0 BGADHN F[C@@H]1CCCC[C@H]1NC[C@@H]1CC1(Cl)Cl ZINC000877589196 590369470 /nfs/dbraw/zinc/36/94/70/590369470.db2.gz JEGWKRRDUAROHV-DJLDLDEBSA-N 0 3 240.149 3.051 20 0 BGADHN F[C@@H]1CCCC[C@H]1NC[C@H]1CC1(Cl)Cl ZINC000877589197 590368874 /nfs/dbraw/zinc/36/88/74/590368874.db2.gz JEGWKRRDUAROHV-IWSPIJDZSA-N 0 3 240.149 3.051 20 0 BGADHN Clc1nccc2oc(CN[C@@H]3CC34CC4)cc21 ZINC000877597232 590371489 /nfs/dbraw/zinc/37/14/89/590371489.db2.gz DYCMCEIZQZWLMM-LLVKDONJSA-N 0 3 248.713 3.123 20 0 BGADHN Clc1nccc2oc(CN[C@H]3CC34CC4)cc21 ZINC000877597233 583339056 /nfs/dbraw/zinc/33/90/56/583339056.db2.gz DYCMCEIZQZWLMM-NSHDSACASA-N 0 3 248.713 3.123 20 0 BGADHN CC[C@H]1CN(CCC(C)(C)SC)[C@H](C)CO1 ZINC000877609163 590372398 /nfs/dbraw/zinc/37/23/98/590372398.db2.gz AMUINLOZYUCXTI-NEPJUHHUSA-N 0 3 245.432 3.017 20 0 BGADHN CC[C@@H]1CN(CCC(C)(C)SC)[C@@H](C)CO1 ZINC000877609164 590372472 /nfs/dbraw/zinc/37/24/72/590372472.db2.gz AMUINLOZYUCXTI-NWDGAFQWSA-N 0 3 245.432 3.017 20 0 BGADHN CC[C@H]1CN(CCC(C)(C)SC)[C@@H](C)CO1 ZINC000877609165 590373105 /nfs/dbraw/zinc/37/31/05/590373105.db2.gz AMUINLOZYUCXTI-RYUDHWBXSA-N 0 3 245.432 3.017 20 0 BGADHN CC[C@@H]1CN(CCC(C)(C)SC)[C@H](C)CO1 ZINC000877609166 590372633 /nfs/dbraw/zinc/37/26/33/590372633.db2.gz AMUINLOZYUCXTI-VXGBXAGGSA-N 0 3 245.432 3.017 20 0 BGADHN Cc1scc(CN2C[C@H]3[C@@H](C2)C3(F)F)c1C ZINC000877614689 635748703 /nfs/dbraw/zinc/74/87/03/635748703.db2.gz GHADIGBGQWIHQM-PHIMTYICSA-N 0 3 243.322 3.062 20 0 BGADHN C[C@@H](NCc1nc(Cl)cs1)C(C)(C)C ZINC000877615841 590374317 /nfs/dbraw/zinc/37/43/17/590374317.db2.gz ZTIZRADMEYLTJF-SSDOTTSWSA-N 0 3 232.780 3.321 20 0 BGADHN CCCN(Cc1cc2c(cc[nH]c2=O)o1)C(C)C ZINC000877617894 590375525 /nfs/dbraw/zinc/37/55/25/590375525.db2.gz YVNVGLZXFAPGMP-UHFFFAOYSA-N 0 3 248.326 3.154 20 0 BGADHN CC1(CNCc2noc3ccccc32)CCCC1 ZINC000877620388 590376355 /nfs/dbraw/zinc/37/63/55/590376355.db2.gz GVXYSENXCYVVKW-UHFFFAOYSA-N 0 3 244.338 3.498 20 0 BGADHN CC(C)C1(CNCc2noc3ccccc32)CC1 ZINC000877621102 590376153 /nfs/dbraw/zinc/37/61/53/590376153.db2.gz OAAGCLFBYWYFKH-UHFFFAOYSA-N 0 3 244.338 3.354 20 0 BGADHN CCC(C)(C)[C@@H](C)NCc1ccc(Cl)nn1 ZINC000877623686 590376608 /nfs/dbraw/zinc/37/66/08/590376608.db2.gz WZOPNCUBYOTMNB-SECBINFHSA-N 0 3 241.766 3.044 20 0 BGADHN CCC(C)(C)[C@H](C)NCc1ccc(Cl)nn1 ZINC000877623687 590376621 /nfs/dbraw/zinc/37/66/21/590376621.db2.gz WZOPNCUBYOTMNB-VIFPVBQESA-N 0 3 241.766 3.044 20 0 BGADHN Clc1nccc2oc(CN[C@@H]3C=CCC3)cc21 ZINC000877623954 583339855 /nfs/dbraw/zinc/33/98/55/583339855.db2.gz FSKTUYJXWFAPAF-SECBINFHSA-N 0 3 248.713 3.289 20 0 BGADHN Clc1nccc2oc(CN[C@H]3C=CCC3)cc21 ZINC000877623955 583339952 /nfs/dbraw/zinc/33/99/52/583339952.db2.gz FSKTUYJXWFAPAF-VIFPVBQESA-N 0 3 248.713 3.289 20 0 BGADHN CC[C@@H](C)CCNCc1nc(Cl)cs1 ZINC000877624540 590377082 /nfs/dbraw/zinc/37/70/82/590377082.db2.gz PWQHOKHYGRRLNQ-MRVPVSSYSA-N 0 3 232.780 3.322 20 0 BGADHN CC[C@H](C)CCNCc1nc(Cl)cs1 ZINC000877624542 590377089 /nfs/dbraw/zinc/37/70/89/590377089.db2.gz PWQHOKHYGRRLNQ-QMMMGPOBSA-N 0 3 232.780 3.322 20 0 BGADHN CC(C)O[C@@H](CN[C@@H]1C=CCC1)c1ccccc1 ZINC000877624565 590376718 /nfs/dbraw/zinc/37/67/18/590376718.db2.gz QGWCIJNULIJJNB-CVEARBPZSA-N 0 3 245.366 3.461 20 0 BGADHN CC(C)O[C@@H](CN[C@H]1C=CCC1)c1ccccc1 ZINC000877624567 590376575 /nfs/dbraw/zinc/37/65/75/590376575.db2.gz QGWCIJNULIJJNB-HOTGVXAUSA-N 0 3 245.366 3.461 20 0 BGADHN CC(C)O[C@H](CN[C@@H]1C=CCC1)c1ccccc1 ZINC000877624569 590376614 /nfs/dbraw/zinc/37/66/14/590376614.db2.gz QGWCIJNULIJJNB-HZPDHXFCSA-N 0 3 245.366 3.461 20 0 BGADHN CC(C)O[C@H](CN[C@H]1C=CCC1)c1ccccc1 ZINC000877624571 590376584 /nfs/dbraw/zinc/37/65/84/590376584.db2.gz QGWCIJNULIJJNB-JKSUJKDBSA-N 0 3 245.366 3.461 20 0 BGADHN CC[C@@H](NCc1nc(Cl)cs1)C1CC1 ZINC000877630227 590377937 /nfs/dbraw/zinc/37/79/37/590377937.db2.gz CFBIQKOMVCZQPB-MRVPVSSYSA-N 0 3 230.764 3.075 20 0 BGADHN CC[C@H](NCc1nc(Cl)cs1)C1CC1 ZINC000877630228 590377813 /nfs/dbraw/zinc/37/78/13/590377813.db2.gz CFBIQKOMVCZQPB-QMMMGPOBSA-N 0 3 230.764 3.075 20 0 BGADHN CC[C@@](C)(NCc1nc(Cl)cs1)C1CC1 ZINC000877630394 590377955 /nfs/dbraw/zinc/37/79/55/590377955.db2.gz FEQVBEIHCDKSRZ-LLVKDONJSA-N 0 3 244.791 3.465 20 0 BGADHN CC[C@](C)(NCc1nc(Cl)cs1)C1CC1 ZINC000877630395 590377493 /nfs/dbraw/zinc/37/74/93/590377493.db2.gz FEQVBEIHCDKSRZ-NSHDSACASA-N 0 3 244.791 3.465 20 0 BGADHN Clc1csc(CNCCCC2CCC2)n1 ZINC000877630795 590377689 /nfs/dbraw/zinc/37/76/89/590377689.db2.gz MYMTXPZVORBJCV-UHFFFAOYSA-N 0 3 244.791 3.466 20 0 BGADHN Fc1ccc(CNC2CSC2)c2ccccc12 ZINC000877634644 590379744 /nfs/dbraw/zinc/37/97/44/590379744.db2.gz SXSWDWDFHXBLJM-UHFFFAOYSA-N 0 3 247.338 3.184 20 0 BGADHN CC1=C(C)C[C@@H]([C@H](C)NCc2ncccn2)CC1 ZINC000877635509 590381001 /nfs/dbraw/zinc/38/10/01/590381001.db2.gz UISSGWFIPKEPLQ-KBPBESRZSA-N 0 3 245.370 3.091 20 0 BGADHN CC1=C(C)C[C@@H]([C@@H](C)NCc2ncccn2)CC1 ZINC000877635510 590380547 /nfs/dbraw/zinc/38/05/47/590380547.db2.gz UISSGWFIPKEPLQ-KGLIPLIRSA-N 0 3 245.370 3.091 20 0 BGADHN CC1=C(C)C[C@H]([C@H](C)NCc2ncccn2)CC1 ZINC000877635511 590380960 /nfs/dbraw/zinc/38/09/60/590380960.db2.gz UISSGWFIPKEPLQ-UONOGXRCSA-N 0 3 245.370 3.091 20 0 BGADHN CC1=C(C)C[C@H]([C@@H](C)NCc2ncccn2)CC1 ZINC000877635512 590380972 /nfs/dbraw/zinc/38/09/72/590380972.db2.gz UISSGWFIPKEPLQ-ZIAGYGMSSA-N 0 3 245.370 3.091 20 0 BGADHN Nc1c(Cl)cccc1CNCC1=CCCC1 ZINC000877636194 590380995 /nfs/dbraw/zinc/38/09/95/590380995.db2.gz PQPHMKLCOMVBLE-UHFFFAOYSA-N 0 3 236.746 3.122 20 0 BGADHN CC(C)[C@@H](NCc1nc(Cl)cs1)C1CC1 ZINC000877636890 590380532 /nfs/dbraw/zinc/38/05/32/590380532.db2.gz CWAMFPMKGZYSAD-LLVKDONJSA-N 0 3 244.791 3.321 20 0 BGADHN CC(C)[C@H](NCc1nc(Cl)cs1)C1CC1 ZINC000877636891 590380951 /nfs/dbraw/zinc/38/09/51/590380951.db2.gz CWAMFPMKGZYSAD-NSHDSACASA-N 0 3 244.791 3.321 20 0 BGADHN CC1(CN2Cc3ccc(O)cc3C2)CCCC1 ZINC000877651604 590384804 /nfs/dbraw/zinc/38/48/04/590384804.db2.gz ZVZJKJIDQIKLLW-UHFFFAOYSA-N 0 3 231.339 3.288 20 0 BGADHN C/C=C\CNCc1cc2c(ccnc2Cl)o1 ZINC000877657674 590385752 /nfs/dbraw/zinc/38/57/52/590385752.db2.gz NBQBYRQYJYLCNQ-IHWYPQMZSA-N 0 3 236.702 3.147 20 0 BGADHN C/C=C/CNCc1cc2c(ccnc2Cl)o1 ZINC000877657677 590385994 /nfs/dbraw/zinc/38/59/94/590385994.db2.gz NBQBYRQYJYLCNQ-NSCUHMNNSA-N 0 3 236.702 3.147 20 0 BGADHN CSC1CCN(Cc2cc(C)oc2C)CC1 ZINC000877663163 590387835 /nfs/dbraw/zinc/38/78/35/590387835.db2.gz JBFNJTJQTMMCPD-UHFFFAOYSA-N 0 3 239.384 3.224 20 0 BGADHN Clc1csc(CN[C@@H]2CCCC23CC3)n1 ZINC000877664184 590388285 /nfs/dbraw/zinc/38/82/85/590388285.db2.gz MEXSKKIPTDAIJB-MRVPVSSYSA-N 0 3 242.775 3.219 20 0 BGADHN Clc1csc(CN[C@H]2CCCC23CC3)n1 ZINC000877664185 590388613 /nfs/dbraw/zinc/38/86/13/590388613.db2.gz MEXSKKIPTDAIJB-QMMMGPOBSA-N 0 3 242.775 3.219 20 0 BGADHN Fc1cccc(CNC2CC(C(F)F)C2)c1F ZINC000877672421 590389344 /nfs/dbraw/zinc/38/93/44/590389344.db2.gz DWJDEFRGWQDBBY-UHFFFAOYSA-N 0 3 247.235 3.098 20 0 BGADHN CCC(C)(C)CCNCc1ccc(Cl)nn1 ZINC000877673271 590390530 /nfs/dbraw/zinc/39/05/30/590390530.db2.gz FQJHLDNSCITCSA-UHFFFAOYSA-N 0 3 241.766 3.046 20 0 BGADHN CCC(C)(C)CCNCc1cc(F)ncc1F ZINC000877674576 590390617 /nfs/dbraw/zinc/39/06/17/590390617.db2.gz SBMOECQSZGIQMB-UHFFFAOYSA-N 0 3 242.313 3.276 20 0 BGADHN F[C@@H]1CCCC[C@@H]1NC[C@H]1CC1(Cl)Cl ZINC000877682299 590391218 /nfs/dbraw/zinc/39/12/18/590391218.db2.gz JEGWKRRDUAROHV-HLTSFMKQSA-N 0 3 240.149 3.051 20 0 BGADHN F[C@@H]1CCCC[C@@H]1NC[C@@H]1CC1(Cl)Cl ZINC000877682300 590391143 /nfs/dbraw/zinc/39/11/43/590391143.db2.gz JEGWKRRDUAROHV-YIZRAAEISA-N 0 3 240.149 3.051 20 0 BGADHN Cc1ncc([C@H](C)NC2CC(C(F)F)C2)s1 ZINC000877685366 590388147 /nfs/dbraw/zinc/38/81/47/590388147.db2.gz WOWKADZWSCEHBK-GVWIPJJGSA-N 0 3 246.326 3.146 20 0 BGADHN Cc1ncc([C@@H](C)NC2CC(C(F)F)C2)s1 ZINC000877685367 590388904 /nfs/dbraw/zinc/38/89/04/590388904.db2.gz WOWKADZWSCEHBK-KXNKJCORSA-N 0 3 246.326 3.146 20 0 BGADHN Cc1ccc(CNCCCc2cnccc2C)o1 ZINC000877697550 590394120 /nfs/dbraw/zinc/39/41/20/590394120.db2.gz KSWMPTCCBPKPSZ-UHFFFAOYSA-N 0 3 244.338 3.014 20 0 BGADHN C[C@H](CC1CCC1)NCc1nc(Cl)cs1 ZINC000877700055 590393900 /nfs/dbraw/zinc/39/39/00/590393900.db2.gz ATLYZZCCRYUQNV-MRVPVSSYSA-N 0 3 244.791 3.465 20 0 BGADHN C[C@@H](CC1CCC1)NCc1nc(Cl)cs1 ZINC000877700056 590393732 /nfs/dbraw/zinc/39/37/32/590393732.db2.gz ATLYZZCCRYUQNV-QMMMGPOBSA-N 0 3 244.791 3.465 20 0 BGADHN CC1(F)CCN(Cc2ccc3c(c2)COC3)CC1 ZINC000877700252 590393717 /nfs/dbraw/zinc/39/37/17/590393717.db2.gz KILZXBBACRSFKQ-UHFFFAOYSA-N 0 3 249.329 3.041 20 0 BGADHN CC1(F)CCN(C[C@H]2CC2(Cl)Cl)CC1 ZINC000877700830 590395243 /nfs/dbraw/zinc/39/52/43/590395243.db2.gz VXJGYTPSQJHQNL-MRVPVSSYSA-N 0 3 240.149 3.004 20 0 BGADHN CC1(F)CCN(C[C@@H]2CC2(Cl)Cl)CC1 ZINC000877700832 590394981 /nfs/dbraw/zinc/39/49/81/590394981.db2.gz VXJGYTPSQJHQNL-QMMMGPOBSA-N 0 3 240.149 3.004 20 0 BGADHN C[C@H](CC1CCC1)NCc1cc(F)ncc1F ZINC000877701002 590394517 /nfs/dbraw/zinc/39/45/17/590394517.db2.gz YSADFEIOURMBFU-SECBINFHSA-N 0 3 240.297 3.028 20 0 BGADHN C[C@@H](CC1CCC1)NCc1cc(F)ncc1F ZINC000877701003 590395228 /nfs/dbraw/zinc/39/52/28/590395228.db2.gz YSADFEIOURMBFU-VIFPVBQESA-N 0 3 240.297 3.028 20 0 BGADHN CCC(CC)(CNC1CSC1)C(F)(F)F ZINC000877708030 590398565 /nfs/dbraw/zinc/39/85/65/590398565.db2.gz YXYCXHSBMPZHLQ-UHFFFAOYSA-N 0 3 241.322 3.060 20 0 BGADHN CC1(C)CN(Cc2cccc3ncccc23)C1 ZINC000877717052 590400025 /nfs/dbraw/zinc/40/00/25/590400025.db2.gz DDQOHLIULYVNJV-UHFFFAOYSA-N 0 3 226.323 3.077 20 0 BGADHN CC1(C)CN(Cc2cncc3ccccc32)C1 ZINC000877717296 590400223 /nfs/dbraw/zinc/40/02/23/590400223.db2.gz GSBSUFHRDMXSMS-UHFFFAOYSA-N 0 3 226.323 3.077 20 0 BGADHN Clc1cncc(CN2C[C@@H]3CC=CC[C@@H]3C2)c1 ZINC000877718353 590399410 /nfs/dbraw/zinc/39/94/10/590399410.db2.gz ITLJBZQVWXSFGJ-BETUJISGSA-N 0 3 248.757 3.133 20 0 BGADHN CCc1cnc(CN2C[C@@H]3CC=CC[C@@H]3C2)s1 ZINC000877718938 590400218 /nfs/dbraw/zinc/40/02/18/590400218.db2.gz YZNCDOMFFFGTGC-TXEJJXNPSA-N 0 3 248.395 3.104 20 0 BGADHN Clc1ccc(CN2C[C@@H]3CC=CC[C@@H]3C2)cn1 ZINC000877718982 583345091 /nfs/dbraw/zinc/34/50/91/583345091.db2.gz ARKWEEDWWJOLLK-BETUJISGSA-N 0 3 248.757 3.133 20 0 BGADHN Clc1ncccc1CN1C[C@@H]2CC=CC[C@@H]2C1 ZINC000877719114 590400368 /nfs/dbraw/zinc/40/03/68/590400368.db2.gz IQDOGSBCTZFPTF-TXEJJXNPSA-N 0 3 248.757 3.133 20 0 BGADHN CCc1nc(CN2C[C@@H]3CC=CC[C@@H]3C2)cs1 ZINC000877719122 590400703 /nfs/dbraw/zinc/40/07/03/590400703.db2.gz JEGOGQJKXWNMBC-TXEJJXNPSA-N 0 3 248.395 3.104 20 0 BGADHN c1c(CNCCCCC2CC2)onc1C1CC1 ZINC000877729829 590403689 /nfs/dbraw/zinc/40/36/89/590403689.db2.gz BTXVSDHXOUTKFU-UHFFFAOYSA-N 0 3 234.343 3.222 20 0 BGADHN Fc1cc(CNCCCCC2CC2)c(F)cn1 ZINC000877729847 590403677 /nfs/dbraw/zinc/40/36/77/590403677.db2.gz CQHAHYHCFAHIRB-UHFFFAOYSA-N 0 3 240.297 3.030 20 0 BGADHN Clc1csc(CNCCCCC2CC2)n1 ZINC000877730072 590403506 /nfs/dbraw/zinc/40/35/06/590403506.db2.gz LJKQCUYXQMZJHM-UHFFFAOYSA-N 0 3 244.791 3.466 20 0 BGADHN c1nc(C2CC2)oc1CNCCCCC1CC1 ZINC000877730150 590403693 /nfs/dbraw/zinc/40/36/93/590403693.db2.gz NZDLIWNROOQBAM-UHFFFAOYSA-N 0 3 234.343 3.222 20 0 BGADHN c1ccc2oc(CNCCCCC3CC3)nc2c1 ZINC000877730161 590403714 /nfs/dbraw/zinc/40/37/14/590403714.db2.gz ONKKORYMRFRFHY-UHFFFAOYSA-N 0 3 244.338 3.498 20 0 BGADHN CC(C)(C)c1ccc(CNC[C@H]2CCC=CO2)o1 ZINC000877735609 590403725 /nfs/dbraw/zinc/40/37/25/590403725.db2.gz ZCOSKMCJJKFDNX-GFCCVEGCSA-N 0 3 249.354 3.359 20 0 BGADHN CC(C)(C)c1ccc(CNC[C@@H]2CCC=CO2)o1 ZINC000877735610 590403927 /nfs/dbraw/zinc/40/39/27/590403927.db2.gz ZCOSKMCJJKFDNX-LBPRGKRZSA-N 0 3 249.354 3.359 20 0 BGADHN C[C@H]1CCC[C@@H](C2CN(CC3=CCCOC3)C2)C1 ZINC000877763589 590420718 /nfs/dbraw/zinc/42/07/18/590420718.db2.gz DBOMYRREQULELY-DZGCQCFKSA-N 0 3 249.398 3.091 20 0 BGADHN C[C@@H]1CCC[C@H](C2CN(CC3=CCCOC3)C2)C1 ZINC000877763590 590420179 /nfs/dbraw/zinc/42/01/79/590420179.db2.gz DBOMYRREQULELY-HIFRSBDPSA-N 0 3 249.398 3.091 20 0 BGADHN C[C@@H]1CCC[C@@H](C2CN(CC3=CCCOC3)C2)C1 ZINC000877763591 590420223 /nfs/dbraw/zinc/42/02/23/590420223.db2.gz DBOMYRREQULELY-UKRRQHHQSA-N 0 3 249.398 3.091 20 0 BGADHN C[C@H]1CCC[C@H](C2CN(CC3=CCCOC3)C2)C1 ZINC000877763592 590420201 /nfs/dbraw/zinc/42/02/01/590420201.db2.gz DBOMYRREQULELY-ZFWWWQNUSA-N 0 3 249.398 3.091 20 0 BGADHN CCSCCN(C)Cc1ccc2cc[nH]c2c1 ZINC000877769321 590421622 /nfs/dbraw/zinc/42/16/22/590421622.db2.gz FQBTUOQXNRPVCL-UHFFFAOYSA-N 0 3 248.395 3.353 20 0 BGADHN C1=C[C@@H](CCCNCc2cnc(C3CC3)o2)CC1 ZINC000877805794 590425778 /nfs/dbraw/zinc/42/57/78/590425778.db2.gz LWCSAYNNCJNOMD-GFCCVEGCSA-N 0 3 246.354 3.388 20 0 BGADHN C1=C[C@H](CCCNCc2cnc(C3CC3)o2)CC1 ZINC000877805795 590425623 /nfs/dbraw/zinc/42/56/23/590425623.db2.gz LWCSAYNNCJNOMD-LBPRGKRZSA-N 0 3 246.354 3.388 20 0 BGADHN Cc1nc(C)c(CNCCC[C@@H]2C=CCC2)o1 ZINC000877805808 590425769 /nfs/dbraw/zinc/42/57/69/590425769.db2.gz MBWUMFCMLPPCPL-CYBMUJFWSA-N 0 3 234.343 3.127 20 0 BGADHN Cc1nc(C)c(CNCCC[C@H]2C=CCC2)o1 ZINC000877805809 590425644 /nfs/dbraw/zinc/42/56/44/590425644.db2.gz MBWUMFCMLPPCPL-ZDUSSCGKSA-N 0 3 234.343 3.127 20 0 BGADHN C1=C[C@@H](CCCNCc2cc(C3CC3)no2)CC1 ZINC000877806830 590425882 /nfs/dbraw/zinc/42/58/82/590425882.db2.gz RDTZTRXCDMUCAF-GFCCVEGCSA-N 0 3 246.354 3.388 20 0 BGADHN C1=C[C@H](CCCNCc2cc(C3CC3)no2)CC1 ZINC000877806831 590426271 /nfs/dbraw/zinc/42/62/71/590426271.db2.gz RDTZTRXCDMUCAF-LBPRGKRZSA-N 0 3 246.354 3.388 20 0 BGADHN Cc1cc(CNCCC[C@@H]2C=CCC2)sn1 ZINC000877806853 590426293 /nfs/dbraw/zinc/42/62/93/590426293.db2.gz ROXWYEJZHGNBOW-GFCCVEGCSA-N 0 3 236.384 3.288 20 0 BGADHN Cc1cc(CNCCC[C@H]2C=CCC2)sn1 ZINC000877806854 590426135 /nfs/dbraw/zinc/42/61/35/590426135.db2.gz ROXWYEJZHGNBOW-LBPRGKRZSA-N 0 3 236.384 3.288 20 0 BGADHN CC(C)=CCN1CC[C@](C)(C(F)(F)F)C1 ZINC000877812160 590427098 /nfs/dbraw/zinc/42/70/98/590427098.db2.gz IIJZOAWEPMCXJW-JTQLQIEISA-N 0 3 221.266 3.227 20 0 BGADHN CC(C)=CCN1CC[C@@](C)(C(F)(F)F)C1 ZINC000877812161 590427124 /nfs/dbraw/zinc/42/71/24/590427124.db2.gz IIJZOAWEPMCXJW-SNVBAGLBSA-N 0 3 221.266 3.227 20 0 BGADHN Cc1ccoc1CN1CC[C@@](C)(C(F)(F)F)C1 ZINC000877812292 590427079 /nfs/dbraw/zinc/42/70/79/590427079.db2.gz LUHVDJBSYCDXIZ-LLVKDONJSA-N 0 3 247.260 3.362 20 0 BGADHN Cc1ccoc1CN1CC[C@](C)(C(F)(F)F)C1 ZINC000877812293 590427359 /nfs/dbraw/zinc/42/73/59/590427359.db2.gz LUHVDJBSYCDXIZ-NSHDSACASA-N 0 3 247.260 3.362 20 0 BGADHN CCSCCN1CC[C@@](C)(C(F)(F)F)C1 ZINC000877812420 590427428 /nfs/dbraw/zinc/42/74/28/590427428.db2.gz PNDRVVUHRXZZFR-SECBINFHSA-N 0 3 241.322 3.014 20 0 BGADHN CCSCCN1CC[C@](C)(C(F)(F)F)C1 ZINC000877812421 590427093 /nfs/dbraw/zinc/42/70/93/590427093.db2.gz PNDRVVUHRXZZFR-VIFPVBQESA-N 0 3 241.322 3.014 20 0 BGADHN Cc1csc([C@@H]2CCN(Cc3ccco3)C2)n1 ZINC000877812546 590427326 /nfs/dbraw/zinc/42/73/26/590427326.db2.gz CYGYQBJGBAIWSB-LLVKDONJSA-N 0 3 248.351 3.034 20 0 BGADHN Cc1csc([C@H]2CCN(Cc3ccco3)C2)n1 ZINC000877812547 590426787 /nfs/dbraw/zinc/42/67/87/590426787.db2.gz CYGYQBJGBAIWSB-NSHDSACASA-N 0 3 248.351 3.034 20 0 BGADHN C[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000877814084 590427564 /nfs/dbraw/zinc/42/75/64/590427564.db2.gz NLXLFIBBYJHFDJ-GFCCVEGCSA-N 0 3 243.272 3.461 20 0 BGADHN C[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000877814086 590427176 /nfs/dbraw/zinc/42/71/76/590427176.db2.gz NLXLFIBBYJHFDJ-LBPRGKRZSA-N 0 3 243.272 3.461 20 0 BGADHN Cc1csc([C@@H]2CCN(Cc3ccoc3)C2)n1 ZINC000877814154 590426987 /nfs/dbraw/zinc/42/69/87/590426987.db2.gz UTJZCLGSQGAIBU-GFCCVEGCSA-N 0 3 248.351 3.034 20 0 BGADHN Cc1csc([C@H]2CCN(Cc3ccoc3)C2)n1 ZINC000877814155 590427018 /nfs/dbraw/zinc/42/70/18/590427018.db2.gz UTJZCLGSQGAIBU-LBPRGKRZSA-N 0 3 248.351 3.034 20 0 BGADHN CC(C)=CCN1CC[C@@H](c2nc(C)cs2)C1 ZINC000877814923 590426929 /nfs/dbraw/zinc/42/69/29/590426929.db2.gz ZCPOGIOBFHNVIO-GFCCVEGCSA-N 0 3 236.384 3.207 20 0 BGADHN CC(C)=CCN1CC[C@H](c2nc(C)cs2)C1 ZINC000877814933 590426899 /nfs/dbraw/zinc/42/68/99/590426899.db2.gz ZCPOGIOBFHNVIO-LBPRGKRZSA-N 0 3 236.384 3.207 20 0 BGADHN C[C@H](CN(C)Cc1ccnc(F)c1)C(C)(C)C ZINC000877824112 590428433 /nfs/dbraw/zinc/42/84/33/590428433.db2.gz FJNXSTWIMKYNRB-LLVKDONJSA-N 0 3 238.350 3.335 20 0 BGADHN C[C@@H](CN(C)Cc1ccnc(F)c1)C(C)(C)C ZINC000877824116 590428059 /nfs/dbraw/zinc/42/80/59/590428059.db2.gz FJNXSTWIMKYNRB-NSHDSACASA-N 0 3 238.350 3.335 20 0 BGADHN C[C@H](CN(C)Cc1ccc(F)cn1)C(C)(C)C ZINC000877824817 590428483 /nfs/dbraw/zinc/42/84/83/590428483.db2.gz MZIBSUXODCWLBV-LLVKDONJSA-N 0 3 238.350 3.335 20 0 BGADHN C[C@@H](CN(C)Cc1ccc(F)cn1)C(C)(C)C ZINC000877824819 590427796 /nfs/dbraw/zinc/42/77/96/590427796.db2.gz MZIBSUXODCWLBV-NSHDSACASA-N 0 3 238.350 3.335 20 0 BGADHN C[C@H](CN(C)Cc1ccc(F)nc1)C(C)(C)C ZINC000877825625 590428047 /nfs/dbraw/zinc/42/80/47/590428047.db2.gz XLSVVRQWAUXJRP-LLVKDONJSA-N 0 3 238.350 3.335 20 0 BGADHN C[C@@H](CN(C)Cc1ccc(F)nc1)C(C)(C)C ZINC000877825626 590428600 /nfs/dbraw/zinc/42/86/00/590428600.db2.gz XLSVVRQWAUXJRP-NSHDSACASA-N 0 3 238.350 3.335 20 0 BGADHN Cc1nccnc1[C@H](C)NC[C@@H](C)CC(C)C ZINC000877828710 590429286 /nfs/dbraw/zinc/42/92/86/590429286.db2.gz PCRBINHJBAKDAN-AAEUAGOBSA-N 0 3 235.375 3.118 20 0 BGADHN Cc1nccnc1[C@@H](C)NC[C@H](C)CC(C)C ZINC000877828711 590428981 /nfs/dbraw/zinc/42/89/81/590428981.db2.gz PCRBINHJBAKDAN-DGCLKSJQSA-N 0 3 235.375 3.118 20 0 BGADHN Cc1nccnc1[C@@H](C)NC[C@@H](C)CC(C)C ZINC000877828712 590428794 /nfs/dbraw/zinc/42/87/94/590428794.db2.gz PCRBINHJBAKDAN-WCQYABFASA-N 0 3 235.375 3.118 20 0 BGADHN Cc1nccnc1[C@H](C)NC[C@H](C)CC(C)C ZINC000877828713 590429612 /nfs/dbraw/zinc/42/96/12/590429612.db2.gz PCRBINHJBAKDAN-YPMHNXCESA-N 0 3 235.375 3.118 20 0 BGADHN Cc1cc(OCCc2ccns2)c(C)c(C)n1 ZINC000877884091 590438646 /nfs/dbraw/zinc/43/86/46/590438646.db2.gz ZLJBESFWDRHXLH-UHFFFAOYSA-N 0 3 248.351 3.085 20 0 BGADHN CSCC1CCN(Cc2ccccc2)CC1 ZINC000877887639 590439619 /nfs/dbraw/zinc/43/96/19/590439619.db2.gz POXALXQHJMZFIU-UHFFFAOYSA-N 0 3 235.396 3.262 20 0 BGADHN C=C/C=C\CCN1CCC[C@H](C(F)(F)F)C1 ZINC000877900524 590442466 /nfs/dbraw/zinc/44/24/66/590442466.db2.gz AXFUOESZQYLTGZ-BYCRGOAPSA-N 0 3 233.277 3.393 20 0 BGADHN C=C/C=C\CCN1CCC[C@@H](C(F)(F)F)C1 ZINC000877900525 590442854 /nfs/dbraw/zinc/44/28/54/590442854.db2.gz AXFUOESZQYLTGZ-DLRQAJBASA-N 0 3 233.277 3.393 20 0 BGADHN C=C/C=C/CCN1CCC[C@@H](C(F)(F)F)C1 ZINC000877900526 590442406 /nfs/dbraw/zinc/44/24/06/590442406.db2.gz AXFUOESZQYLTGZ-PGLGOXFNSA-N 0 3 233.277 3.393 20 0 BGADHN C=C/C=C/CCN1CCC[C@H](C(F)(F)F)C1 ZINC000877900527 590442510 /nfs/dbraw/zinc/44/25/10/590442510.db2.gz AXFUOESZQYLTGZ-UFFNRZRYSA-N 0 3 233.277 3.393 20 0 BGADHN CCCCN(C)Cc1ccc(C)c(Cl)n1 ZINC000877901385 590443121 /nfs/dbraw/zinc/44/31/21/590443121.db2.gz XGCZDMBSAJOLEE-UHFFFAOYSA-N 0 3 226.751 3.275 20 0 BGADHN FC(F)(F)[C@@H]1CCCN(CCCC2CC2)C1 ZINC000877901488 590443793 /nfs/dbraw/zinc/44/37/93/590443793.db2.gz MPITZMIFOOSGMR-LLVKDONJSA-N 0 3 235.293 3.451 20 0 BGADHN FC(F)(F)[C@H]1CCCN(CCCC2CC2)C1 ZINC000877901489 590443313 /nfs/dbraw/zinc/44/33/13/590443313.db2.gz MPITZMIFOOSGMR-NSHDSACASA-N 0 3 235.293 3.451 20 0 BGADHN C=C/C=C\CCN(C)Cc1ccsc1 ZINC000877921394 590447177 /nfs/dbraw/zinc/44/71/77/590447177.db2.gz KZMPQHFNCLJAED-PLNGDYQASA-N 0 3 207.342 3.312 20 0 BGADHN C=C/C=C/CCN(C)Cc1ccsc1 ZINC000877921395 590447203 /nfs/dbraw/zinc/44/72/03/590447203.db2.gz KZMPQHFNCLJAED-SNAWJCMRSA-N 0 3 207.342 3.312 20 0 BGADHN Cc1cc([C@@H]2CCCN2CCCC2CC2)no1 ZINC000877922079 590448459 /nfs/dbraw/zinc/44/84/59/590448459.db2.gz PTMYXDRRYFCKCS-AWEZNQCLSA-N 0 3 234.343 3.310 20 0 BGADHN Cc1cc([C@H]2CCCN2CCCC2CC2)no1 ZINC000877922080 590448359 /nfs/dbraw/zinc/44/83/59/590448359.db2.gz PTMYXDRRYFCKCS-CQSZACIVSA-N 0 3 234.343 3.310 20 0 BGADHN Cc1ccc(CN(C)C2CCCC2)nc1Cl ZINC000877925248 590448582 /nfs/dbraw/zinc/44/85/82/590448582.db2.gz WATNSFJHMSLWFB-UHFFFAOYSA-N 0 3 238.762 3.418 20 0 BGADHN C=C/C=C\CCN1CCc2sccc2C1 ZINC000877926186 590449111 /nfs/dbraw/zinc/44/91/11/590449111.db2.gz RYNYWLQBIWRPPR-ARJAWSKDSA-N 0 3 219.353 3.239 20 0 BGADHN C=C/C=C/CCN1CCc2sccc2C1 ZINC000877926187 590447624 /nfs/dbraw/zinc/44/76/24/590447624.db2.gz RYNYWLQBIWRPPR-ONEGZZNKSA-N 0 3 219.353 3.239 20 0 BGADHN CCN(CC)Cc1cc(C(F)(F)F)co1 ZINC000877929020 590449678 /nfs/dbraw/zinc/44/96/78/590449678.db2.gz QDIIOTJNYHSOMC-UHFFFAOYSA-N 0 3 221.222 3.140 20 0 BGADHN Cc1ccc(CN(C)[C@@H](C)C2CC2)nc1Cl ZINC000877929260 590450207 /nfs/dbraw/zinc/45/02/07/590450207.db2.gz CIUILCCRVNLILC-JTQLQIEISA-N 0 3 238.762 3.274 20 0 BGADHN Cc1ccc(CN(C)[C@H](C)C2CC2)nc1Cl ZINC000877929261 590450256 /nfs/dbraw/zinc/45/02/56/590450256.db2.gz CIUILCCRVNLILC-SNVBAGLBSA-N 0 3 238.762 3.274 20 0 BGADHN CC(C)N1CCN(C[C@@H](C)CC(C)(C)C)CC1 ZINC000877929963 590449933 /nfs/dbraw/zinc/44/99/33/590449933.db2.gz RWYIQGUWUWIKSV-AWEZNQCLSA-N 0 3 240.435 3.085 20 0 BGADHN CC(C)N1CCN(C[C@H](C)CC(C)(C)C)CC1 ZINC000877929964 590450384 /nfs/dbraw/zinc/45/03/84/590450384.db2.gz RWYIQGUWUWIKSV-CQSZACIVSA-N 0 3 240.435 3.085 20 0 BGADHN C=C/C=C\CCN(C)Cc1cccs1 ZINC000877932037 590449948 /nfs/dbraw/zinc/44/99/48/590449948.db2.gz JYKQJZULFFJGLY-PLNGDYQASA-N 0 3 207.342 3.312 20 0 BGADHN C=C/C=C/CCN(C)Cc1cccs1 ZINC000877932039 590450079 /nfs/dbraw/zinc/45/00/79/590450079.db2.gz JYKQJZULFFJGLY-SNAWJCMRSA-N 0 3 207.342 3.312 20 0 BGADHN C=C/C=C/CCN(C)Cc1ccc(C)o1 ZINC000877933154 590451188 /nfs/dbraw/zinc/45/11/88/590451188.db2.gz GMMTUIYUDJEJSO-AATRIKPKSA-N 0 3 205.301 3.152 20 0 BGADHN C=C/C=C\CCN(C)Cc1ccc(C)o1 ZINC000877933155 590450862 /nfs/dbraw/zinc/45/08/62/590450862.db2.gz GMMTUIYUDJEJSO-WAYWQWQTSA-N 0 3 205.301 3.152 20 0 BGADHN CN(Cc1ccccc1)C[C@@H]1CCC2(CCC2)O1 ZINC000877933556 590450773 /nfs/dbraw/zinc/45/07/73/590450773.db2.gz NSQRPIRBEJOQLA-HNNXBMFYSA-N 0 3 245.366 3.220 20 0 BGADHN CN(Cc1ccccc1)C[C@H]1CCC2(CCC2)O1 ZINC000877933557 590450664 /nfs/dbraw/zinc/45/06/64/590450664.db2.gz NSQRPIRBEJOQLA-OAHLLOKOSA-N 0 3 245.366 3.220 20 0 BGADHN CN(Cc1ccccc1)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000877933710 590450758 /nfs/dbraw/zinc/45/07/58/590450758.db2.gz PPEKVHFFAVVESX-HRCADAONSA-N 0 3 245.366 3.076 20 0 BGADHN CN(Cc1ccccc1)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000877933711 590450779 /nfs/dbraw/zinc/45/07/79/590450779.db2.gz PPEKVHFFAVVESX-JYJNAYRXSA-N 0 3 245.366 3.076 20 0 BGADHN CN(Cc1ccccc1)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000877933712 590450747 /nfs/dbraw/zinc/45/07/47/590450747.db2.gz PPEKVHFFAVVESX-OWCLPIDISA-N 0 3 245.366 3.076 20 0 BGADHN CN(Cc1ccccc1)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000877933713 590450718 /nfs/dbraw/zinc/45/07/18/590450718.db2.gz PPEKVHFFAVVESX-PMPSAXMXSA-N 0 3 245.366 3.076 20 0 BGADHN Cc1conc1CN(CC(C)C)CC(C)C ZINC000877950273 590454939 /nfs/dbraw/zinc/45/49/39/590454939.db2.gz HWPWZBYIFQHPKR-UHFFFAOYSA-N 0 3 224.348 3.097 20 0 BGADHN CCN(Cc1ccc(C)c(Cl)n1)C1CC1 ZINC000877953730 590456181 /nfs/dbraw/zinc/45/61/81/590456181.db2.gz CTWAHTOOUVIORW-UHFFFAOYSA-N 0 3 224.735 3.028 20 0 BGADHN Cc1noc(C)c1CN(C)CC1CC2(CCC2)C1 ZINC000877956123 590457111 /nfs/dbraw/zinc/45/71/11/590457111.db2.gz IXSMALYVYVOBMO-UHFFFAOYSA-N 0 3 248.370 3.304 20 0 BGADHN Cc1conc1CN1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000877959377 590458776 /nfs/dbraw/zinc/45/87/76/590458776.db2.gz VOKZVJFKTNGYKF-CORIIIEPSA-N 0 3 248.370 3.384 20 0 BGADHN Cc1conc1CN1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000877959379 590458665 /nfs/dbraw/zinc/45/86/65/590458665.db2.gz VOKZVJFKTNGYKF-LNSITVRQSA-N 0 3 248.370 3.384 20 0 BGADHN Cc1conc1CN1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000877959380 590458413 /nfs/dbraw/zinc/45/84/13/590458413.db2.gz VOKZVJFKTNGYKF-NJZAAPMLSA-N 0 3 248.370 3.384 20 0 BGADHN Cc1conc1CN1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000877959382 590458864 /nfs/dbraw/zinc/45/88/64/590458864.db2.gz VOKZVJFKTNGYKF-WHOFXGATSA-N 0 3 248.370 3.384 20 0 BGADHN CCN(Cc1nocc1C)C1CCCCC1 ZINC000877963780 590460271 /nfs/dbraw/zinc/46/02/71/590460271.db2.gz JOAJZYRWSRLEMI-UHFFFAOYSA-N 0 3 222.332 3.138 20 0 BGADHN Cc1ccc(CN(C(C)C)C2CC2)nc1Cl ZINC000877965329 590459884 /nfs/dbraw/zinc/45/98/84/590459884.db2.gz UCELZVBVRVTUPW-UHFFFAOYSA-N 0 3 238.762 3.416 20 0 BGADHN CN(C[C@H]1CCC[C@@H](c2ccccc2)O1)C1CC1 ZINC000877966687 590461326 /nfs/dbraw/zinc/46/13/26/590461326.db2.gz STUQIXJRQDKONR-CVEARBPZSA-N 0 3 245.366 3.391 20 0 BGADHN CN(C[C@@H]1CCC[C@@H](c2ccccc2)O1)C1CC1 ZINC000877966688 590461188 /nfs/dbraw/zinc/46/11/88/590461188.db2.gz STUQIXJRQDKONR-HOTGVXAUSA-N 0 3 245.366 3.391 20 0 BGADHN CN(C[C@H]1CCC[C@H](c2ccccc2)O1)C1CC1 ZINC000877966689 590460799 /nfs/dbraw/zinc/46/07/99/590460799.db2.gz STUQIXJRQDKONR-HZPDHXFCSA-N 0 3 245.366 3.391 20 0 BGADHN CN(C[C@@H]1CCC[C@H](c2ccccc2)O1)C1CC1 ZINC000877966690 590461219 /nfs/dbraw/zinc/46/12/19/590461219.db2.gz STUQIXJRQDKONR-JKSUJKDBSA-N 0 3 245.366 3.391 20 0 BGADHN CN(C[C@H]1CC[C@@H](c2ccccc2)O1)C1CC1 ZINC000877966698 583355690 /nfs/dbraw/zinc/35/56/90/583355690.db2.gz TWMBFDJWEUBZDH-CABCVRRESA-N 0 3 231.339 3.001 20 0 BGADHN CN(C[C@@H]1CC[C@@H](c2ccccc2)O1)C1CC1 ZINC000877966699 583355471 /nfs/dbraw/zinc/35/54/71/583355471.db2.gz TWMBFDJWEUBZDH-GJZGRUSLSA-N 0 3 231.339 3.001 20 0 BGADHN CN(C[C@H]1CC[C@H](c2ccccc2)O1)C1CC1 ZINC000877966700 583355034 /nfs/dbraw/zinc/35/50/34/583355034.db2.gz TWMBFDJWEUBZDH-HUUCEWRRSA-N 0 3 231.339 3.001 20 0 BGADHN CN(C[C@@H]1CC[C@H](c2ccccc2)O1)C1CC1 ZINC000877966701 583355647 /nfs/dbraw/zinc/35/56/47/583355647.db2.gz TWMBFDJWEUBZDH-LSDHHAIUSA-N 0 3 231.339 3.001 20 0 BGADHN CC(C)[C@@H](O)CCN(C)[C@H](C)c1cccs1 ZINC000877970174 590462493 /nfs/dbraw/zinc/46/24/93/590462493.db2.gz KCZDPVLRVJXYGN-NEPJUHHUSA-N 0 3 241.400 3.148 20 0 BGADHN CC(C)[C@H](O)CCN(C)[C@@H](C)c1cccs1 ZINC000877970175 590462522 /nfs/dbraw/zinc/46/25/22/590462522.db2.gz KCZDPVLRVJXYGN-NWDGAFQWSA-N 0 3 241.400 3.148 20 0 BGADHN CC(C)[C@@H](O)CCN(C)[C@@H](C)c1cccs1 ZINC000877970176 590462051 /nfs/dbraw/zinc/46/20/51/590462051.db2.gz KCZDPVLRVJXYGN-RYUDHWBXSA-N 0 3 241.400 3.148 20 0 BGADHN CC(C)[C@H](O)CCN(C)[C@H](C)c1cccs1 ZINC000877970177 590461163 /nfs/dbraw/zinc/46/11/63/590461163.db2.gz KCZDPVLRVJXYGN-VXGBXAGGSA-N 0 3 241.400 3.148 20 0 BGADHN C=C/C=C\CCN1CCC[C@@H]1c1cc(C)no1 ZINC000877970969 590461848 /nfs/dbraw/zinc/46/18/48/590461848.db2.gz FPNSLBFOZWYIBM-DSYXLKISSA-N 0 3 232.327 3.252 20 0 BGADHN C=C/C=C/CCN1CCC[C@H]1c1cc(C)no1 ZINC000877970970 590462391 /nfs/dbraw/zinc/46/23/91/590462391.db2.gz FPNSLBFOZWYIBM-IHVVCDCBSA-N 0 3 232.327 3.252 20 0 BGADHN C=C/C=C/CCN1CCC[C@@H]1c1cc(C)no1 ZINC000877970971 590462507 /nfs/dbraw/zinc/46/25/07/590462507.db2.gz FPNSLBFOZWYIBM-MUBLQREKSA-N 0 3 232.327 3.252 20 0 BGADHN C=C/C=C\CCN1CCC[C@H]1c1cc(C)no1 ZINC000877970972 590462307 /nfs/dbraw/zinc/46/23/07/590462307.db2.gz FPNSLBFOZWYIBM-ZFDPJTLLSA-N 0 3 232.327 3.252 20 0 BGADHN Cc1cc([C@H]2CCCN2CCCC2CC2)on1 ZINC000877972296 590461958 /nfs/dbraw/zinc/46/19/58/590461958.db2.gz YZWMXTKTUZJCII-CYBMUJFWSA-N 0 3 234.343 3.310 20 0 BGADHN Cc1cc([C@@H]2CCCN2CCCC2CC2)on1 ZINC000877972297 590461798 /nfs/dbraw/zinc/46/17/98/590461798.db2.gz YZWMXTKTUZJCII-ZDUSSCGKSA-N 0 3 234.343 3.310 20 0 BGADHN Cc1ncc(CN(C)CCCC2CC2)s1 ZINC000877972408 590462570 /nfs/dbraw/zinc/46/25/70/590462570.db2.gz INXRTKLFTBLLDW-UHFFFAOYSA-N 0 3 224.373 3.074 20 0 BGADHN CN(Cc1cc(C(F)(F)F)co1)CC1CC1 ZINC000877972416 590461722 /nfs/dbraw/zinc/46/17/22/590461722.db2.gz IXSMPZMVCUBFER-UHFFFAOYSA-N 0 3 233.233 3.140 20 0 BGADHN C=C/C=C/CCN(C)Cc1cnc(C)s1 ZINC000877972584 590462994 /nfs/dbraw/zinc/46/29/94/590462994.db2.gz LDUMMTRFNBMPJN-AATRIKPKSA-N 0 3 222.357 3.016 20 0 BGADHN C=C/C=C\CCN(C)Cc1cnc(C)s1 ZINC000877972585 590462779 /nfs/dbraw/zinc/46/27/79/590462779.db2.gz LDUMMTRFNBMPJN-WAYWQWQTSA-N 0 3 222.357 3.016 20 0 BGADHN C=C/C=C/CCN(Cc1ccccn1)C(C)C ZINC000877976464 590464261 /nfs/dbraw/zinc/46/42/61/590464261.db2.gz NTPTWZJLOHXVQE-AATRIKPKSA-N 0 3 230.355 3.424 20 0 BGADHN C=C/C=C\CCN(Cc1ccccn1)C(C)C ZINC000877976466 590464081 /nfs/dbraw/zinc/46/40/81/590464081.db2.gz NTPTWZJLOHXVQE-WAYWQWQTSA-N 0 3 230.355 3.424 20 0 BGADHN CCN(Cc1ccc(C)c(Cl)n1)C(C)C ZINC000877983496 590465601 /nfs/dbraw/zinc/46/56/01/590465601.db2.gz MXLDMXPDLSIRFR-UHFFFAOYSA-N 0 3 226.751 3.274 20 0 BGADHN C=C/C=C\CCN1CCOc2ccccc2C1 ZINC000877984801 590465711 /nfs/dbraw/zinc/46/57/11/590465711.db2.gz OUCRLKVQHINRAN-ARJAWSKDSA-N 0 3 229.323 3.013 20 0 BGADHN C=C/C=C/CCN1CCOc2ccccc2C1 ZINC000877984802 590465717 /nfs/dbraw/zinc/46/57/17/590465717.db2.gz OUCRLKVQHINRAN-ONEGZZNKSA-N 0 3 229.323 3.013 20 0 BGADHN Cc1conc1CN1CCC[C@H]1C1CCCC1 ZINC000877987080 590466334 /nfs/dbraw/zinc/46/63/34/590466334.db2.gz WUHFBNXBUHIDIQ-AWEZNQCLSA-N 0 3 234.343 3.138 20 0 BGADHN Cc1conc1CN1CCC[C@@H]1C1CCCC1 ZINC000877987082 590466452 /nfs/dbraw/zinc/46/64/52/590466452.db2.gz WUHFBNXBUHIDIQ-CQSZACIVSA-N 0 3 234.343 3.138 20 0 BGADHN C=C/C=C/CCN(C)Cc1ccoc1C ZINC000877992661 590468230 /nfs/dbraw/zinc/46/82/30/590468230.db2.gz YLNUOIWLCYNOKV-AATRIKPKSA-N 0 3 205.301 3.152 20 0 BGADHN C=C/C=C\CCN(C)Cc1ccoc1C ZINC000877992662 590467507 /nfs/dbraw/zinc/46/75/07/590467507.db2.gz YLNUOIWLCYNOKV-WAYWQWQTSA-N 0 3 205.301 3.152 20 0 BGADHN CC(C)[C@H]1CCCN1Cc1nc2c(o1)CCCC2 ZINC000877996725 590469124 /nfs/dbraw/zinc/46/91/24/590469124.db2.gz VZDRYXKAFJVDQN-CYBMUJFWSA-N 0 3 248.370 3.174 20 0 BGADHN CC(C)[C@@H]1CCCN1Cc1nc2c(o1)CCCC2 ZINC000877996726 590469056 /nfs/dbraw/zinc/46/90/56/590469056.db2.gz VZDRYXKAFJVDQN-ZDUSSCGKSA-N 0 3 248.370 3.174 20 0 BGADHN Cc1ccc(CN(C)CC(C)C)nc1Cl ZINC000878001032 590469997 /nfs/dbraw/zinc/46/99/97/590469997.db2.gz KOPVULMBQCHDSB-UHFFFAOYSA-N 0 3 226.751 3.131 20 0 BGADHN CC(C)CN(C)Cc1cc(C(F)(F)F)co1 ZINC000878001728 590470216 /nfs/dbraw/zinc/47/02/16/590470216.db2.gz ZUPSIGOVFWSXRP-UHFFFAOYSA-N 0 3 235.249 3.386 20 0 BGADHN CCCN(CC)Cc1ccc(C)c(Cl)n1 ZINC000878002025 590469447 /nfs/dbraw/zinc/46/94/47/590469447.db2.gz LAAUJRLCROJHIB-UHFFFAOYSA-N 0 3 226.751 3.275 20 0 BGADHN C=C/C=C/CCN(C)[C@H](C)c1ccco1 ZINC000878002660 590470704 /nfs/dbraw/zinc/47/07/04/590470704.db2.gz GXLLOHNFJMGWFE-BTDICHCPSA-N 0 3 205.301 3.405 20 0 BGADHN C=C/C=C\CCN(C)[C@@H](C)c1ccco1 ZINC000878002661 590470875 /nfs/dbraw/zinc/47/08/75/590470875.db2.gz GXLLOHNFJMGWFE-FJOGCWAESA-N 0 3 205.301 3.405 20 0 BGADHN C=C/C=C\CCN(C)[C@H](C)c1ccco1 ZINC000878002662 590470019 /nfs/dbraw/zinc/47/00/19/590470019.db2.gz GXLLOHNFJMGWFE-FOQNGQEVSA-N 0 3 205.301 3.405 20 0 BGADHN C=C/C=C/CCN(C)[C@@H](C)c1ccco1 ZINC000878002663 583357627 /nfs/dbraw/zinc/35/76/27/583357627.db2.gz GXLLOHNFJMGWFE-FYJFLYSWSA-N 0 3 205.301 3.405 20 0 BGADHN C[C@H](c1ccco1)N(C)CCCC1CC1 ZINC000878003209 590470655 /nfs/dbraw/zinc/47/06/55/590470655.db2.gz XTYLVFBPEWMYHI-LLVKDONJSA-N 0 3 207.317 3.463 20 0 BGADHN C[C@@H](c1ccco1)N(C)CCCC1CC1 ZINC000878003210 590470760 /nfs/dbraw/zinc/47/07/60/590470760.db2.gz XTYLVFBPEWMYHI-NSHDSACASA-N 0 3 207.317 3.463 20 0 BGADHN Cc1conc1CN(CC(C)C)C1CCCC1 ZINC000878010175 590471343 /nfs/dbraw/zinc/47/13/43/590471343.db2.gz JOWKRYSVEHCJNM-UHFFFAOYSA-N 0 3 236.359 3.384 20 0 BGADHN CCCN(C)Cc1cc(C(F)(F)F)co1 ZINC000878013476 590472253 /nfs/dbraw/zinc/47/22/53/590472253.db2.gz IRIGRLXXKAYFHY-UHFFFAOYSA-N 0 3 221.222 3.140 20 0 BGADHN C=C/C=C/CCN(CC)CCC(F)(F)F ZINC000878031928 590475977 /nfs/dbraw/zinc/47/59/77/590475977.db2.gz GGJVDKIOSGYUEF-AATRIKPKSA-N 0 3 221.266 3.393 20 0 BGADHN C=C/C=C\CCN(CC)CCC(F)(F)F ZINC000878031929 590476391 /nfs/dbraw/zinc/47/63/91/590476391.db2.gz GGJVDKIOSGYUEF-WAYWQWQTSA-N 0 3 221.266 3.393 20 0 BGADHN CCN(CCCC1CC1)CCC(F)(F)F ZINC000878033535 590475575 /nfs/dbraw/zinc/47/55/75/590475575.db2.gz YEODPGKNPVEQNL-UHFFFAOYSA-N 0 3 223.282 3.451 20 0 BGADHN C=C/C=C/CCN(CC)Cc1ccoc1 ZINC000878036839 590477336 /nfs/dbraw/zinc/47/73/36/590477336.db2.gz QZKSCKYOIAUFGK-AATRIKPKSA-N 0 3 205.301 3.234 20 0 BGADHN C=C/C=C\CCN(CC)Cc1ccoc1 ZINC000878036840 590477293 /nfs/dbraw/zinc/47/72/93/590477293.db2.gz QZKSCKYOIAUFGK-WAYWQWQTSA-N 0 3 205.301 3.234 20 0 BGADHN C[C@@H]1CN(CCCSC(C)(C)C)CCCO1 ZINC000878042191 590479034 /nfs/dbraw/zinc/47/90/34/590479034.db2.gz VCTDXPAOWCCAKL-GFCCVEGCSA-N 0 3 245.432 3.019 20 0 BGADHN C[C@H]1CN(CCCSC(C)(C)C)CCCO1 ZINC000878042193 590478921 /nfs/dbraw/zinc/47/89/21/590478921.db2.gz VCTDXPAOWCCAKL-LBPRGKRZSA-N 0 3 245.432 3.019 20 0 BGADHN CC[C@@H]1CCCN1Cc1ccc(C)c(Cl)n1 ZINC000878046205 590480378 /nfs/dbraw/zinc/48/03/78/590480378.db2.gz SQUTWEYWAMRNBU-GFCCVEGCSA-N 0 3 238.762 3.418 20 0 BGADHN CC[C@H]1CCCN1Cc1ccc(C)c(Cl)n1 ZINC000878046206 590480226 /nfs/dbraw/zinc/48/02/26/590480226.db2.gz SQUTWEYWAMRNBU-LBPRGKRZSA-N 0 3 238.762 3.418 20 0 BGADHN C[C@@H]1CN(CC[C@H]2CCCC2(F)F)CCS1 ZINC000878054184 590483966 /nfs/dbraw/zinc/48/39/66/590483966.db2.gz BJUGMYIQJYWIOV-GHMZBOCLSA-N 0 3 249.370 3.249 20 0 BGADHN C[C@@H]1CN(CC[C@@H]2CCCC2(F)F)CCS1 ZINC000878054185 590483871 /nfs/dbraw/zinc/48/38/71/590483871.db2.gz BJUGMYIQJYWIOV-MNOVXSKESA-N 0 3 249.370 3.249 20 0 BGADHN CCCN(Cc1ccc(C)c(Cl)n1)C1CC1 ZINC000878054199 590483602 /nfs/dbraw/zinc/48/36/02/590483602.db2.gz BTKPIXZOFQOFAT-UHFFFAOYSA-N 0 3 238.762 3.418 20 0 BGADHN C=C/C=C/CCN(C)Cc1scnc1C ZINC000878089380 590490877 /nfs/dbraw/zinc/49/08/77/590490877.db2.gz FKLPNWLNEBUYHE-AATRIKPKSA-N 0 3 222.357 3.016 20 0 BGADHN C=C/C=C\CCN(C)Cc1scnc1C ZINC000878089381 590490816 /nfs/dbraw/zinc/49/08/16/590490816.db2.gz FKLPNWLNEBUYHE-WAYWQWQTSA-N 0 3 222.357 3.016 20 0 BGADHN Cc1ncsc1CN(C)CCCC1CC1 ZINC000878089591 590490917 /nfs/dbraw/zinc/49/09/17/590490917.db2.gz JBYUIBDZLMXRED-UHFFFAOYSA-N 0 3 224.373 3.074 20 0 BGADHN CCN(Cc1ccc(C)c(Cl)n1)CC1CC1 ZINC000878097541 590493042 /nfs/dbraw/zinc/49/30/42/590493042.db2.gz GNVKFTNSMBOGER-UHFFFAOYSA-N 0 3 238.762 3.275 20 0 BGADHN Cc1conc1CN1CCC[C@@H](C(C)C)CC1 ZINC000878106795 590496398 /nfs/dbraw/zinc/49/63/98/590496398.db2.gz ODZNFFDOSMZTJT-CYBMUJFWSA-N 0 3 236.359 3.241 20 0 BGADHN Cc1conc1CN1CCC[C@H](C(C)C)CC1 ZINC000878106796 590496620 /nfs/dbraw/zinc/49/66/20/590496620.db2.gz ODZNFFDOSMZTJT-ZDUSSCGKSA-N 0 3 236.359 3.241 20 0 BGADHN CCN(Cc1ccc(C)c(Cl)n1)C1CCC1 ZINC000878116723 590498298 /nfs/dbraw/zinc/49/82/98/590498298.db2.gz QXEUFQSRVBXZCU-UHFFFAOYSA-N 0 3 238.762 3.418 20 0 BGADHN C[C@@H]1CSCCN1CC[C@H]1CCCC1(F)F ZINC000878121178 590499175 /nfs/dbraw/zinc/49/91/75/590499175.db2.gz OOQLMOTYAXLCAI-GHMZBOCLSA-N 0 3 249.370 3.249 20 0 BGADHN C[C@@H]1CSCCN1CC[C@@H]1CCCC1(F)F ZINC000878121179 590498657 /nfs/dbraw/zinc/49/86/57/590498657.db2.gz OOQLMOTYAXLCAI-MNOVXSKESA-N 0 3 249.370 3.249 20 0 BGADHN C[C@H]1CSCCN1CC[C@@H]1CCCC1(F)F ZINC000878121180 590499044 /nfs/dbraw/zinc/49/90/44/590499044.db2.gz OOQLMOTYAXLCAI-QWRGUYRKSA-N 0 3 249.370 3.249 20 0 BGADHN C[C@H]1CSCCN1CC[C@H]1CCCC1(F)F ZINC000878121181 590499641 /nfs/dbraw/zinc/49/96/41/590499641.db2.gz OOQLMOTYAXLCAI-WDEREUQCSA-N 0 3 249.370 3.249 20 0 BGADHN CC[C@@H](C)[C@H]1CCCCN1Cc1nocc1C ZINC000878122375 590500646 /nfs/dbraw/zinc/50/06/46/590500646.db2.gz WTXRSMFAJUTNCD-BXUZGUMPSA-N 0 3 236.359 3.384 20 0 BGADHN CC[C@H](C)[C@@H]1CCCCN1Cc1nocc1C ZINC000878122378 590500293 /nfs/dbraw/zinc/50/02/93/590500293.db2.gz WTXRSMFAJUTNCD-FZMZJTMJSA-N 0 3 236.359 3.384 20 0 BGADHN CC[C@@H](C)[C@@H]1CCCCN1Cc1nocc1C ZINC000878122379 590500061 /nfs/dbraw/zinc/50/00/61/590500061.db2.gz WTXRSMFAJUTNCD-RISCZKNCSA-N 0 3 236.359 3.384 20 0 BGADHN CC[C@H](C)[C@H]1CCCCN1Cc1nocc1C ZINC000878122380 590500116 /nfs/dbraw/zinc/50/01/16/590500116.db2.gz WTXRSMFAJUTNCD-SMDDNHRTSA-N 0 3 236.359 3.384 20 0 BGADHN CC[C@@H]1CCCCCN1Cc1nocc1C ZINC000878124168 590499999 /nfs/dbraw/zinc/49/99/99/590499999.db2.gz HMCQNCQTWRQKJW-GFCCVEGCSA-N 0 3 222.332 3.138 20 0 BGADHN CC[C@H]1CCCCCN1Cc1nocc1C ZINC000878124169 590499979 /nfs/dbraw/zinc/49/99/79/590499979.db2.gz HMCQNCQTWRQKJW-LBPRGKRZSA-N 0 3 222.332 3.138 20 0 BGADHN Cc1ccc(CN2C[C@@H](C)C[C@H]2C)nc1Cl ZINC000878124230 590500142 /nfs/dbraw/zinc/50/01/42/590500142.db2.gz DQLGZJIEKPHGQY-GXSJLCMTSA-N 0 3 238.762 3.274 20 0 BGADHN Cc1ccc(CN2C[C@H](C)C[C@@H]2C)nc1Cl ZINC000878124231 590500669 /nfs/dbraw/zinc/50/06/69/590500669.db2.gz DQLGZJIEKPHGQY-KOLCDFICSA-N 0 3 238.762 3.274 20 0 BGADHN Cc1ccc(CN2C[C@H](C)C[C@H]2C)nc1Cl ZINC000878124232 590500419 /nfs/dbraw/zinc/50/04/19/590500419.db2.gz DQLGZJIEKPHGQY-MWLCHTKSSA-N 0 3 238.762 3.274 20 0 BGADHN Cc1ccc(CN2C[C@@H](C)C[C@@H]2C)nc1Cl ZINC000878124233 590500226 /nfs/dbraw/zinc/50/02/26/590500226.db2.gz DQLGZJIEKPHGQY-ONGXEEELSA-N 0 3 238.762 3.274 20 0 BGADHN Cc1conc1CN1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000878133746 590503481 /nfs/dbraw/zinc/50/34/81/590503481.db2.gz MBRRXVTYUAEWSN-BZPMIXESSA-N 0 3 234.343 3.136 20 0 BGADHN Cc1conc1CN1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000878133747 590503589 /nfs/dbraw/zinc/50/35/89/590503589.db2.gz MBRRXVTYUAEWSN-DYEKYZERSA-N 0 3 234.343 3.136 20 0 BGADHN Cc1conc1CN1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000878133748 590504004 /nfs/dbraw/zinc/50/40/04/590504004.db2.gz MBRRXVTYUAEWSN-MBNYWOFBSA-N 0 3 234.343 3.136 20 0 BGADHN Cc1conc1CN1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000878133749 590503925 /nfs/dbraw/zinc/50/39/25/590503925.db2.gz MBRRXVTYUAEWSN-YRGRVCCFSA-N 0 3 234.343 3.136 20 0 BGADHN Cc1ccc(CN(C)C2CCC2)nc1Cl ZINC000878134321 590503930 /nfs/dbraw/zinc/50/39/30/590503930.db2.gz BXCKSFWBKFKSRA-UHFFFAOYSA-N 0 3 224.735 3.028 20 0 BGADHN CN(Cc1cc(C(F)(F)F)co1)C1CCC1 ZINC000878134709 590504790 /nfs/dbraw/zinc/50/47/90/590504790.db2.gz GGOQDZJQDZVMQU-UHFFFAOYSA-N 0 3 233.233 3.283 20 0 BGADHN C=C/C=C\CCN1CCC(C(F)(F)F)CC1 ZINC000878149422 590505470 /nfs/dbraw/zinc/50/54/70/590505470.db2.gz YDUMDUPNFRBGKA-ARJAWSKDSA-N 0 3 233.277 3.393 20 0 BGADHN C=C/C=C/CCN1CCC(C(F)(F)F)CC1 ZINC000878149423 590506195 /nfs/dbraw/zinc/50/61/95/590506195.db2.gz YDUMDUPNFRBGKA-ONEGZZNKSA-N 0 3 233.277 3.393 20 0 BGADHN Cc1ccc(CN2C[C@@H](C)[C@H](C)C2)nc1Cl ZINC000878150791 590505483 /nfs/dbraw/zinc/50/54/83/590505483.db2.gz POPCFOJZHPTRSJ-GHMZBOCLSA-N 0 3 238.762 3.131 20 0 BGADHN Cc1ccc(CN2C[C@H](C)[C@H](C)C2)nc1Cl ZINC000878150792 590505345 /nfs/dbraw/zinc/50/53/45/590505345.db2.gz POPCFOJZHPTRSJ-PHIMTYICSA-N 0 3 238.762 3.131 20 0 BGADHN Cc1ccc(CN2C[C@H](C)[C@@H](C)C2)nc1Cl ZINC000878150793 590505496 /nfs/dbraw/zinc/50/54/96/590505496.db2.gz POPCFOJZHPTRSJ-QWRGUYRKSA-N 0 3 238.762 3.131 20 0 BGADHN CC[C@H]1C[C@@H](C)CN1Cc1nc2c(o1)CCCC2 ZINC000878154739 590507820 /nfs/dbraw/zinc/50/78/20/590507820.db2.gz CAMVQAJAURGKIY-NEPJUHHUSA-N 0 3 248.370 3.174 20 0 BGADHN CC[C@@H]1C[C@H](C)CN1Cc1nc2c(o1)CCCC2 ZINC000878154740 590508068 /nfs/dbraw/zinc/50/80/68/590508068.db2.gz CAMVQAJAURGKIY-NWDGAFQWSA-N 0 3 248.370 3.174 20 0 BGADHN CC[C@H]1C[C@H](C)CN1Cc1nc2c(o1)CCCC2 ZINC000878154741 590508131 /nfs/dbraw/zinc/50/81/31/590508131.db2.gz CAMVQAJAURGKIY-RYUDHWBXSA-N 0 3 248.370 3.174 20 0 BGADHN CC[C@@H]1C[C@@H](C)CN1Cc1nc2c(o1)CCCC2 ZINC000878154742 590508465 /nfs/dbraw/zinc/50/84/65/590508465.db2.gz CAMVQAJAURGKIY-VXGBXAGGSA-N 0 3 248.370 3.174 20 0 BGADHN C[C@H]1CN(Cc2nc3c(o2)CCCC3)C(C)(C)C1 ZINC000878158632 590509876 /nfs/dbraw/zinc/50/98/76/590509876.db2.gz KFFDAXYHTMWRCV-LLVKDONJSA-N 0 3 248.370 3.174 20 0 BGADHN C[C@@H]1CN(Cc2nc3c(o2)CCCC3)C(C)(C)C1 ZINC000878158633 590510255 /nfs/dbraw/zinc/51/02/55/590510255.db2.gz KFFDAXYHTMWRCV-NSHDSACASA-N 0 3 248.370 3.174 20 0 BGADHN CN(CCCC1CC1)Cc1cccc(O)c1 ZINC000878164267 590511648 /nfs/dbraw/zinc/51/16/48/590511648.db2.gz FADTXIFSUWEYGP-UHFFFAOYSA-N 0 3 219.328 3.014 20 0 BGADHN Cc1ccc(CN2CC[C@H](C)[C@H]2C)nc1Cl ZINC000878165125 590512763 /nfs/dbraw/zinc/51/27/63/590512763.db2.gz RQEVFOXOZOQRKJ-GXSJLCMTSA-N 0 3 238.762 3.274 20 0 BGADHN Cc1ccc(CN2CC[C@@H](C)[C@@H]2C)nc1Cl ZINC000878165126 590512797 /nfs/dbraw/zinc/51/27/97/590512797.db2.gz RQEVFOXOZOQRKJ-KOLCDFICSA-N 0 3 238.762 3.274 20 0 BGADHN Cc1ccc(CN2CC[C@@H](C)[C@H]2C)nc1Cl ZINC000878165127 590512719 /nfs/dbraw/zinc/51/27/19/590512719.db2.gz RQEVFOXOZOQRKJ-MWLCHTKSSA-N 0 3 238.762 3.274 20 0 BGADHN Cc1ccc(CN2CC[C@H](C)[C@@H]2C)nc1Cl ZINC000878165128 590513096 /nfs/dbraw/zinc/51/30/96/590513096.db2.gz RQEVFOXOZOQRKJ-ONGXEEELSA-N 0 3 238.762 3.274 20 0 BGADHN CC(C)[C@H](O)CCN1C[C@@H](C)[C@H]1c1ccccc1 ZINC000878165836 590512814 /nfs/dbraw/zinc/51/28/14/590512814.db2.gz FWQRVKDVMALRAY-BMFZPTHFSA-N 0 3 247.382 3.086 20 0 BGADHN CC(C)[C@H](O)CCN1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000878165837 590512290 /nfs/dbraw/zinc/51/22/90/590512290.db2.gz FWQRVKDVMALRAY-FVQBIDKESA-N 0 3 247.382 3.086 20 0 BGADHN CC(C)[C@H](O)CCN1C[C@H](C)[C@H]1c1ccccc1 ZINC000878165838 590512440 /nfs/dbraw/zinc/51/24/40/590512440.db2.gz FWQRVKDVMALRAY-IMJJTQAJSA-N 0 3 247.382 3.086 20 0 BGADHN CC(C)[C@H](O)CCN1C[C@H](C)[C@@H]1c1ccccc1 ZINC000878165839 590513249 /nfs/dbraw/zinc/51/32/49/590513249.db2.gz FWQRVKDVMALRAY-NUEKZKHPSA-N 0 3 247.382 3.086 20 0 BGADHN C=C/C=C\CCN(C)Cc1ccc(Cl)nc1 ZINC000878166797 590514459 /nfs/dbraw/zinc/51/44/59/590514459.db2.gz GAWZINUKYHMABU-PLNGDYQASA-N 0 3 236.746 3.299 20 0 BGADHN C=C/C=C/CCN(C)Cc1ccc(Cl)nc1 ZINC000878166798 590513770 /nfs/dbraw/zinc/51/37/70/590513770.db2.gz GAWZINUKYHMABU-SNAWJCMRSA-N 0 3 236.746 3.299 20 0 BGADHN C=C/C=C\CCN1CCN(C)CC12CCCCC2 ZINC000878169025 590514434 /nfs/dbraw/zinc/51/44/34/590514434.db2.gz IELOUFKNKMPDSR-PLNGDYQASA-N 0 3 248.414 3.069 20 0 BGADHN C=C/C=C/CCN1CCN(C)CC12CCCCC2 ZINC000878169026 590514039 /nfs/dbraw/zinc/51/40/39/590514039.db2.gz IELOUFKNKMPDSR-SNAWJCMRSA-N 0 3 248.414 3.069 20 0 BGADHN COc1ccc(CN(C)CCCC2CC2)cc1O ZINC000878182211 590518024 /nfs/dbraw/zinc/51/80/24/590518024.db2.gz CSAKCWZZSPLYOP-UHFFFAOYSA-N 0 3 249.354 3.023 20 0 BGADHN CCN(Cc1ccccn1)CC1CC2(CCC2)C1 ZINC000878186252 590520053 /nfs/dbraw/zinc/52/00/53/590520053.db2.gz HQBLTWMWJKHXQP-UHFFFAOYSA-N 0 3 244.382 3.484 20 0 BGADHN C=C/C=C/CCN(CC)Cc1ccccn1 ZINC000878186844 590520057 /nfs/dbraw/zinc/52/00/57/590520057.db2.gz NYMVYQFJJYWHQI-AATRIKPKSA-N 0 3 216.328 3.036 20 0 BGADHN C=C/C=C\CCN(CC)Cc1ccccn1 ZINC000878186846 590520139 /nfs/dbraw/zinc/52/01/39/590520139.db2.gz NYMVYQFJJYWHQI-WAYWQWQTSA-N 0 3 216.328 3.036 20 0 BGADHN Cc1conc1CN(CC(C)C)CC(C)(C)C ZINC000878193495 590521705 /nfs/dbraw/zinc/52/17/05/590521705.db2.gz DVVSFZQNMXQEGF-UHFFFAOYSA-N 0 3 238.375 3.487 20 0 BGADHN Cc1conc1CN1CCC[C@@H]1CCC(C)C ZINC000878199999 590523254 /nfs/dbraw/zinc/52/32/54/590523254.db2.gz KLFGRAUGLZEFSC-CYBMUJFWSA-N 0 3 236.359 3.384 20 0 BGADHN Cc1conc1CN1CCC[C@H]1CCC(C)C ZINC000878200000 590523428 /nfs/dbraw/zinc/52/34/28/590523428.db2.gz KLFGRAUGLZEFSC-ZDUSSCGKSA-N 0 3 236.359 3.384 20 0 BGADHN CCC[C@@H](C)[C@H]1CCCN1Cc1nocc1C ZINC000878201132 590523925 /nfs/dbraw/zinc/52/39/25/590523925.db2.gz YCOVMOPYWNNNBC-BXUZGUMPSA-N 0 3 236.359 3.384 20 0 BGADHN CCC[C@H](C)[C@@H]1CCCN1Cc1nocc1C ZINC000878201133 590523872 /nfs/dbraw/zinc/52/38/72/590523872.db2.gz YCOVMOPYWNNNBC-FZMZJTMJSA-N 0 3 236.359 3.384 20 0 BGADHN CCC[C@@H](C)[C@@H]1CCCN1Cc1nocc1C ZINC000878201134 590524158 /nfs/dbraw/zinc/52/41/58/590524158.db2.gz YCOVMOPYWNNNBC-RISCZKNCSA-N 0 3 236.359 3.384 20 0 BGADHN CCC[C@H](C)[C@H]1CCCN1Cc1nocc1C ZINC000878201135 590524257 /nfs/dbraw/zinc/52/42/57/590524257.db2.gz YCOVMOPYWNNNBC-SMDDNHRTSA-N 0 3 236.359 3.384 20 0 BGADHN CC[C@H](C)N(C)Cc1ccc(C)c(Cl)n1 ZINC000878233012 590526980 /nfs/dbraw/zinc/52/69/80/590526980.db2.gz DZSMJUKKMMWVRT-JTQLQIEISA-N 0 3 226.751 3.274 20 0 BGADHN CC[C@@H](C)N(C)Cc1ccc(C)c(Cl)n1 ZINC000878233013 590527662 /nfs/dbraw/zinc/52/76/62/590527662.db2.gz DZSMJUKKMMWVRT-SNVBAGLBSA-N 0 3 226.751 3.274 20 0 BGADHN Cc1conc1CN(C(C)C)C1CCCC1 ZINC000878234288 590527529 /nfs/dbraw/zinc/52/75/29/590527529.db2.gz VFSFZPJVSPIGGL-UHFFFAOYSA-N 0 3 222.332 3.136 20 0 BGADHN Cc1csc(C(C)(C)NCCCC2CC2)n1 ZINC000878248794 590528315 /nfs/dbraw/zinc/52/83/15/590528315.db2.gz DKBCZIWJZAXZAT-UHFFFAOYSA-N 0 3 238.400 3.466 20 0 BGADHN C=C/C=C\CCNC(C)(C)c1nc(C)cs1 ZINC000878249303 590529195 /nfs/dbraw/zinc/52/91/95/590529195.db2.gz NQYVWSYXYFGJDQ-SREVYHEPSA-N 0 3 236.384 3.409 20 0 BGADHN C=C/C=C/CCNC(C)(C)c1nc(C)cs1 ZINC000878249304 590529060 /nfs/dbraw/zinc/52/90/60/590529060.db2.gz NQYVWSYXYFGJDQ-VOTSOKGWSA-N 0 3 236.384 3.409 20 0 BGADHN C=C/C=C\CCN[C@](C)(CC)c1nccs1 ZINC000878254098 590529017 /nfs/dbraw/zinc/52/90/17/590529017.db2.gz PJYAHZNPXUGTSC-FMFIFOJESA-N 0 3 236.384 3.490 20 0 BGADHN C=C/C=C\CCN[C@@](C)(CC)c1nccs1 ZINC000878254099 590529854 /nfs/dbraw/zinc/52/98/54/590529854.db2.gz PJYAHZNPXUGTSC-FWWRYZNZSA-N 0 3 236.384 3.490 20 0 BGADHN C=C/C=C/CCN[C@](C)(CC)c1nccs1 ZINC000878254100 590529532 /nfs/dbraw/zinc/52/95/32/590529532.db2.gz PJYAHZNPXUGTSC-KTRBRXNASA-N 0 3 236.384 3.490 20 0 BGADHN C=C/C=C/CCN[C@@](C)(CC)c1nccs1 ZINC000878254101 590529757 /nfs/dbraw/zinc/52/97/57/590529757.db2.gz PJYAHZNPXUGTSC-YBJDMEARSA-N 0 3 236.384 3.490 20 0 BGADHN Cc1cccc(CN(C)CCCC2CC2)n1 ZINC000878254780 590529888 /nfs/dbraw/zinc/52/98/88/590529888.db2.gz GKKVDXMMOGMONC-UHFFFAOYSA-N 0 3 218.344 3.012 20 0 BGADHN Cc1cccc(CN(C)CC2CC3(CCC3)C2)n1 ZINC000878256504 590529453 /nfs/dbraw/zinc/52/94/53/590529453.db2.gz XUZJMZMKXWYZAT-UHFFFAOYSA-N 0 3 244.382 3.402 20 0 BGADHN CCC[C@@H]1[C@H](C)CCCN1Cc1nocc1C ZINC000878257251 590530643 /nfs/dbraw/zinc/53/06/43/590530643.db2.gz GTOYTBPYGCVYMI-BXUZGUMPSA-N 0 3 236.359 3.384 20 0 BGADHN CCC[C@H]1[C@@H](C)CCCN1Cc1nocc1C ZINC000878257254 590530797 /nfs/dbraw/zinc/53/07/97/590530797.db2.gz GTOYTBPYGCVYMI-FZMZJTMJSA-N 0 3 236.359 3.384 20 0 BGADHN CCC[C@H]1[C@H](C)CCCN1Cc1nocc1C ZINC000878257257 590530234 /nfs/dbraw/zinc/53/02/34/590530234.db2.gz GTOYTBPYGCVYMI-RISCZKNCSA-N 0 3 236.359 3.384 20 0 BGADHN CCC[C@@H]1[C@@H](C)CCCN1Cc1nocc1C ZINC000878257261 590530937 /nfs/dbraw/zinc/53/09/37/590530937.db2.gz GTOYTBPYGCVYMI-SMDDNHRTSA-N 0 3 236.359 3.384 20 0 BGADHN Cc1conc1CN1CCCC[C@@H]1CC(C)C ZINC000878268807 590532278 /nfs/dbraw/zinc/53/22/78/590532278.db2.gz GSMAPZZMRIKOBZ-CYBMUJFWSA-N 0 3 236.359 3.384 20 0 BGADHN Cc1conc1CN1CCCC[C@H]1CC(C)C ZINC000878268808 590532315 /nfs/dbraw/zinc/53/23/15/590532315.db2.gz GSMAPZZMRIKOBZ-ZDUSSCGKSA-N 0 3 236.359 3.384 20 0 BGADHN CN(CCCC1CC1)Cc1nc2ccccc2o1 ZINC000878268990 590532585 /nfs/dbraw/zinc/53/25/85/590532585.db2.gz CTAAEUCPCOIRRD-UHFFFAOYSA-N 0 3 244.338 3.450 20 0 BGADHN C[C@@H]1COCCCN1CCCSC(C)(C)C ZINC000878286286 590534786 /nfs/dbraw/zinc/53/47/86/590534786.db2.gz MJBXBISMQWONCE-GFCCVEGCSA-N 0 3 245.432 3.019 20 0 BGADHN C[C@H]1COCCCN1CCCSC(C)(C)C ZINC000878286288 590534131 /nfs/dbraw/zinc/53/41/31/590534131.db2.gz MJBXBISMQWONCE-LBPRGKRZSA-N 0 3 245.432 3.019 20 0 BGADHN Cc1ccc(CN(C)CCC2CC2)nc1Cl ZINC000878287981 590534182 /nfs/dbraw/zinc/53/41/82/590534182.db2.gz KUFSQGCUKCZEND-UHFFFAOYSA-N 0 3 238.762 3.275 20 0 BGADHN CN(Cc1cccnc1)CC1CC2(CCC2)C1 ZINC000878298284 590536574 /nfs/dbraw/zinc/53/65/74/590536574.db2.gz GYSQIAQIXGRYQT-UHFFFAOYSA-N 0 3 230.355 3.094 20 0 BGADHN FC(F)(F)C1=CCN(CCCC2CC2)CC1 ZINC000878303018 590539126 /nfs/dbraw/zinc/53/91/26/590539126.db2.gz DWIXNNCUPVQZTF-UHFFFAOYSA-N 0 3 233.277 3.371 20 0 BGADHN C=C/C=C\CCN1CC=C(C(F)(F)F)CC1 ZINC000878303285 590538385 /nfs/dbraw/zinc/53/83/85/590538385.db2.gz MKWNLAVCEATVGV-ARJAWSKDSA-N 0 3 231.261 3.313 20 0 BGADHN C=C/C=C/CCN1CC=C(C(F)(F)F)CC1 ZINC000878303286 590538763 /nfs/dbraw/zinc/53/87/63/590538763.db2.gz MKWNLAVCEATVGV-ONEGZZNKSA-N 0 3 231.261 3.313 20 0 BGADHN Cc1conc1CN1CCCC12CCCCC2 ZINC000878307347 590540210 /nfs/dbraw/zinc/54/02/10/590540210.db2.gz NSJRDRODZYGUPX-UHFFFAOYSA-N 0 3 234.343 3.282 20 0 BGADHN C=C/C=C\CCN(Cc1ccncc1)C1CC1 ZINC000878308315 590539468 /nfs/dbraw/zinc/53/94/68/590539468.db2.gz AEXSBUUQDMOCRW-ARJAWSKDSA-N 0 3 228.339 3.178 20 0 BGADHN C=C/C=C/CCN(Cc1ccncc1)C1CC1 ZINC000878308316 590539725 /nfs/dbraw/zinc/53/97/25/590539725.db2.gz AEXSBUUQDMOCRW-ONEGZZNKSA-N 0 3 228.339 3.178 20 0 BGADHN c1cc(CN(CCCC2CC2)C2CC2)ccn1 ZINC000878309021 590539873 /nfs/dbraw/zinc/53/98/73/590539873.db2.gz LHDOXCKIWSLEGL-UHFFFAOYSA-N 0 3 230.355 3.236 20 0 BGADHN c1cncc(CN(CCCC2CC2)C2CC2)c1 ZINC000878309519 590540028 /nfs/dbraw/zinc/54/00/28/590540028.db2.gz PAVGMUKAIHJLEY-UHFFFAOYSA-N 0 3 230.355 3.236 20 0 BGADHN C=C/C=C\CCN(Cc1cccnc1)C1CC1 ZINC000878310438 590539426 /nfs/dbraw/zinc/53/94/26/590539426.db2.gz ZDUDAAZHFLULHI-ARJAWSKDSA-N 0 3 228.339 3.178 20 0 BGADHN C=C/C=C/CCN(Cc1cccnc1)C1CC1 ZINC000878310439 590540063 /nfs/dbraw/zinc/54/00/63/590540063.db2.gz ZDUDAAZHFLULHI-ONEGZZNKSA-N 0 3 228.339 3.178 20 0 BGADHN C=C/C=C\CCN(C)[C@H](C)c1ccncc1 ZINC000878313759 590540615 /nfs/dbraw/zinc/54/06/15/590540615.db2.gz LFQNINPWRFFCKQ-CFHLNLSMSA-N 0 3 216.328 3.207 20 0 BGADHN C=C/C=C/CCN(C)[C@@H](C)c1ccncc1 ZINC000878313760 590541327 /nfs/dbraw/zinc/54/13/27/590541327.db2.gz LFQNINPWRFFCKQ-GFUIURDCSA-N 0 3 216.328 3.207 20 0 BGADHN C=C/C=C\CCN(C)[C@@H](C)c1ccncc1 ZINC000878313761 590540525 /nfs/dbraw/zinc/54/05/25/590540525.db2.gz LFQNINPWRFFCKQ-SZZPACECSA-N 0 3 216.328 3.207 20 0 BGADHN C=C/C=C/CCN(C)[C@H](C)c1ccncc1 ZINC000878313762 590540848 /nfs/dbraw/zinc/54/08/48/590540848.db2.gz LFQNINPWRFFCKQ-URWSZGRFSA-N 0 3 216.328 3.207 20 0 BGADHN C=C/C=C\CCN(C)[C@H](C)c1ccccn1 ZINC000878314136 590540780 /nfs/dbraw/zinc/54/07/80/590540780.db2.gz PTJMDJWIQQJMGG-CFHLNLSMSA-N 0 3 216.328 3.207 20 0 BGADHN C=C/C=C/CCN(C)[C@@H](C)c1ccccn1 ZINC000878314137 590540556 /nfs/dbraw/zinc/54/05/56/590540556.db2.gz PTJMDJWIQQJMGG-GFUIURDCSA-N 0 3 216.328 3.207 20 0 BGADHN C=C/C=C\CCN(C)[C@@H](C)c1ccccn1 ZINC000878314138 590540823 /nfs/dbraw/zinc/54/08/23/590540823.db2.gz PTJMDJWIQQJMGG-SZZPACECSA-N 0 3 216.328 3.207 20 0 BGADHN C=C/C=C/CCN(C)[C@H](C)c1ccccn1 ZINC000878314139 590541084 /nfs/dbraw/zinc/54/10/84/590541084.db2.gz PTJMDJWIQQJMGG-URWSZGRFSA-N 0 3 216.328 3.207 20 0 BGADHN C=C/C=C\CCN(C)[C@H](C)c1cccnc1 ZINC000878314202 590541183 /nfs/dbraw/zinc/54/11/83/590541183.db2.gz QZMLYYLIFLIEQF-CFHLNLSMSA-N 0 3 216.328 3.207 20 0 BGADHN C=C/C=C/CCN(C)[C@@H](C)c1cccnc1 ZINC000878314203 590540574 /nfs/dbraw/zinc/54/05/74/590540574.db2.gz QZMLYYLIFLIEQF-GFUIURDCSA-N 0 3 216.328 3.207 20 0 BGADHN C=C/C=C\CCN(C)[C@@H](C)c1cccnc1 ZINC000878314204 590541360 /nfs/dbraw/zinc/54/13/60/590541360.db2.gz QZMLYYLIFLIEQF-SZZPACECSA-N 0 3 216.328 3.207 20 0 BGADHN C=C/C=C/CCN(C)[C@H](C)c1cccnc1 ZINC000878314206 590541129 /nfs/dbraw/zinc/54/11/29/590541129.db2.gz QZMLYYLIFLIEQF-URWSZGRFSA-N 0 3 216.328 3.207 20 0 BGADHN C=C/C=C/CCN1CC[C@H](C(F)(F)F)C1 ZINC000878315058 590541700 /nfs/dbraw/zinc/54/17/00/590541700.db2.gz FGROWAMFCBLYPN-FSIBCCDJSA-N 0 3 219.250 3.003 20 0 BGADHN C=C/C=C/CCN1CC[C@@H](C(F)(F)F)C1 ZINC000878315059 590542083 /nfs/dbraw/zinc/54/20/83/590542083.db2.gz FGROWAMFCBLYPN-HMDXOVGESA-N 0 3 219.250 3.003 20 0 BGADHN C=C/C=C\CCN1CC[C@@H](C(F)(F)F)C1 ZINC000878315060 590541587 /nfs/dbraw/zinc/54/15/87/590541587.db2.gz FGROWAMFCBLYPN-UMBAGQNISA-N 0 3 219.250 3.003 20 0 BGADHN C=C/C=C\CCN1CC[C@H](C(F)(F)F)C1 ZINC000878315061 590542288 /nfs/dbraw/zinc/54/22/88/590542288.db2.gz FGROWAMFCBLYPN-XOULXFPDSA-N 0 3 219.250 3.003 20 0 BGADHN FC1(F)CC2(CN(CC3CC4(CCC4)C3)C2)C1 ZINC000878321117 590544877 /nfs/dbraw/zinc/54/48/77/590544877.db2.gz NKDMNNJWEBXDKO-UHFFFAOYSA-N 0 3 241.325 3.298 20 0 BGADHN CCN(CCCC1CC1)Cc1ccncc1 ZINC000878329086 590546039 /nfs/dbraw/zinc/54/60/39/590546039.db2.gz SCIFJDVOPJBLRS-UHFFFAOYSA-N 0 3 218.344 3.094 20 0 BGADHN C=C/C=C/CCN(CC)Cc1ccncc1 ZINC000878331182 590548510 /nfs/dbraw/zinc/54/85/10/590548510.db2.gz RVOZEKXYXNILLI-AATRIKPKSA-N 0 3 216.328 3.036 20 0 BGADHN C=C/C=C\CCN(CC)Cc1ccncc1 ZINC000878331184 590548491 /nfs/dbraw/zinc/54/84/91/590548491.db2.gz RVOZEKXYXNILLI-WAYWQWQTSA-N 0 3 216.328 3.036 20 0 BGADHN c1c[nH]c([C@H]2CCCN2CC2CC3(CCC3)C2)n1 ZINC000878337998 590550310 /nfs/dbraw/zinc/55/03/10/590550310.db2.gz LIRFKCHRXKQVEY-CYBMUJFWSA-N 0 3 245.370 3.127 20 0 BGADHN c1c[nH]c([C@@H]2CCCN2CC2CC3(CCC3)C2)n1 ZINC000878337999 590550929 /nfs/dbraw/zinc/55/09/29/590550929.db2.gz LIRFKCHRXKQVEY-ZDUSSCGKSA-N 0 3 245.370 3.127 20 0 BGADHN C=C/C=C\CCN(Cc1ccccn1)C1CC1 ZINC000878338873 590550911 /nfs/dbraw/zinc/55/09/11/590550911.db2.gz DRTNAJYYIQXHFX-ARJAWSKDSA-N 0 3 228.339 3.178 20 0 BGADHN C=C/C=C/CCN(Cc1ccccn1)C1CC1 ZINC000878338874 590550214 /nfs/dbraw/zinc/55/02/14/590550214.db2.gz DRTNAJYYIQXHFX-ONEGZZNKSA-N 0 3 228.339 3.178 20 0 BGADHN CC[C@H]1CC[C@@H](C)N1Cc1nc2c(o1)CCCC2 ZINC000878339199 590550854 /nfs/dbraw/zinc/55/08/54/590550854.db2.gz AZSBXYNDQJVRSN-NEPJUHHUSA-N 0 3 248.370 3.316 20 0 BGADHN CC[C@@H]1CC[C@H](C)N1Cc1nc2c(o1)CCCC2 ZINC000878339201 590551013 /nfs/dbraw/zinc/55/10/13/590551013.db2.gz AZSBXYNDQJVRSN-NWDGAFQWSA-N 0 3 248.370 3.316 20 0 BGADHN CC[C@H]1CC[C@H](C)N1Cc1nc2c(o1)CCCC2 ZINC000878339203 590551307 /nfs/dbraw/zinc/55/13/07/590551307.db2.gz AZSBXYNDQJVRSN-RYUDHWBXSA-N 0 3 248.370 3.316 20 0 BGADHN CC[C@@H]1CC[C@@H](C)N1Cc1nc2c(o1)CCCC2 ZINC000878339205 583371111 /nfs/dbraw/zinc/37/11/11/583371111.db2.gz AZSBXYNDQJVRSN-VXGBXAGGSA-N 0 3 248.370 3.316 20 0 BGADHN c1ccc(CN(CCCC2CC2)C2CC2)nc1 ZINC000878340272 590551095 /nfs/dbraw/zinc/55/10/95/590551095.db2.gz UGHZGSXGDAEIKU-UHFFFAOYSA-N 0 3 230.355 3.236 20 0 BGADHN CC1(C)C[C@H](CN2CCC=C(F)C2)C(C)(C)O1 ZINC000878340536 590550207 /nfs/dbraw/zinc/55/02/07/590550207.db2.gz VZMUQBOFQGHOTF-LLVKDONJSA-N 0 3 241.350 3.139 20 0 BGADHN CC1(C)C[C@@H](CN2CCC=C(F)C2)C(C)(C)O1 ZINC000878340537 590551611 /nfs/dbraw/zinc/55/16/11/590551611.db2.gz VZMUQBOFQGHOTF-NSHDSACASA-N 0 3 241.350 3.139 20 0 BGADHN C[C@@H]1CCOCCN1CCCSC(C)(C)C ZINC000878374354 590556130 /nfs/dbraw/zinc/55/61/30/590556130.db2.gz TUHCXNJXKLKTDP-GFCCVEGCSA-N 0 3 245.432 3.019 20 0 BGADHN C[C@H]1CCOCCN1CCCSC(C)(C)C ZINC000878374355 590555207 /nfs/dbraw/zinc/55/52/07/590555207.db2.gz TUHCXNJXKLKTDP-LBPRGKRZSA-N 0 3 245.432 3.019 20 0 BGADHN Cc1conc1CN[C@H](C)[C@@H](C)c1ccccc1 ZINC000878378980 590556969 /nfs/dbraw/zinc/55/69/69/590556969.db2.gz RPAOLHPLVCNXLP-CHWSQXEVSA-N 0 3 244.338 3.265 20 0 BGADHN Cc1conc1CN[C@@H](C)[C@@H](C)c1ccccc1 ZINC000878378981 590556541 /nfs/dbraw/zinc/55/65/41/590556541.db2.gz RPAOLHPLVCNXLP-OLZOCXBDSA-N 0 3 244.338 3.265 20 0 BGADHN Cc1conc1CN[C@H](C)[C@H](C)c1ccccc1 ZINC000878378982 590556905 /nfs/dbraw/zinc/55/69/05/590556905.db2.gz RPAOLHPLVCNXLP-QWHCGFSZSA-N 0 3 244.338 3.265 20 0 BGADHN Cc1conc1CN[C@@H](C)[C@H](C)c1ccccc1 ZINC000878378983 590556945 /nfs/dbraw/zinc/55/69/45/590556945.db2.gz RPAOLHPLVCNXLP-STQMWFEESA-N 0 3 244.338 3.265 20 0 BGADHN FC1(F)CCC[C@@H]1CCN1CC=CCC1 ZINC000878384339 590557618 /nfs/dbraw/zinc/55/76/18/590557618.db2.gz KGNOYHFWQGEJCR-LLVKDONJSA-N 0 3 215.287 3.074 20 0 BGADHN FC1(F)CCC[C@H]1CCN1CC=CCC1 ZINC000878384340 590557638 /nfs/dbraw/zinc/55/76/38/590557638.db2.gz KGNOYHFWQGEJCR-NSHDSACASA-N 0 3 215.287 3.074 20 0 BGADHN c1ccc([C@@H]2CC[C@H](CN3CC=CCC3)O2)cc1 ZINC000878384443 590558112 /nfs/dbraw/zinc/55/81/12/590558112.db2.gz MOMBMWFGVKPVFY-CVEARBPZSA-N 0 3 243.350 3.169 20 0 BGADHN c1ccc([C@@H]2CC[C@@H](CN3CC=CCC3)O2)cc1 ZINC000878384444 590557813 /nfs/dbraw/zinc/55/78/13/590557813.db2.gz MOMBMWFGVKPVFY-HOTGVXAUSA-N 0 3 243.350 3.169 20 0 BGADHN c1ccc([C@H]2CC[C@H](CN3CC=CCC3)O2)cc1 ZINC000878384445 590557898 /nfs/dbraw/zinc/55/78/98/590557898.db2.gz MOMBMWFGVKPVFY-HZPDHXFCSA-N 0 3 243.350 3.169 20 0 BGADHN c1ccc([C@H]2CC[C@@H](CN3CC=CCC3)O2)cc1 ZINC000878384446 590558106 /nfs/dbraw/zinc/55/81/06/590558106.db2.gz MOMBMWFGVKPVFY-JKSUJKDBSA-N 0 3 243.350 3.169 20 0 BGADHN CC(C)(C)SCCCN1CC=CCC1 ZINC000878385240 590557798 /nfs/dbraw/zinc/55/77/98/590557798.db2.gz WHGHYZYHWPKWEN-UHFFFAOYSA-N 0 3 213.390 3.170 20 0 BGADHN COC[C@@H](NCC1CC2(CCC2)C1)c1ccco1 ZINC000878409214 590562242 /nfs/dbraw/zinc/56/22/42/590562242.db2.gz HXQIQBCPBCMRQC-CYBMUJFWSA-N 0 3 249.354 3.137 20 0 BGADHN COC[C@H](NCC1CC2(CCC2)C1)c1ccco1 ZINC000878409215 590562105 /nfs/dbraw/zinc/56/21/05/590562105.db2.gz HXQIQBCPBCMRQC-ZDUSSCGKSA-N 0 3 249.354 3.137 20 0 BGADHN FC(F)(F)c1coc(CNC2(C3CC3)CC2)c1 ZINC000878409333 590562283 /nfs/dbraw/zinc/56/22/83/590562283.db2.gz JUHFHRIOTNWAOB-UHFFFAOYSA-N 0 3 245.244 3.331 20 0 BGADHN COC[C@@H](NCCCC1CC1)c1ccc(C)o1 ZINC000878409799 590561947 /nfs/dbraw/zinc/56/19/47/590561947.db2.gz NZTGUWOEFFYRQW-CYBMUJFWSA-N 0 3 237.343 3.055 20 0 BGADHN COC[C@H](NCCCC1CC1)c1ccc(C)o1 ZINC000878409800 590561953 /nfs/dbraw/zinc/56/19/53/590561953.db2.gz NZTGUWOEFFYRQW-ZDUSSCGKSA-N 0 3 237.343 3.055 20 0 BGADHN C=C/C=C\CCN[C@@H](COC)c1ccc(CC)o1 ZINC000878409840 590562264 /nfs/dbraw/zinc/56/22/64/590562264.db2.gz PJGOSBMODSTRMY-AFNCTOJWSA-N 0 3 249.354 3.251 20 0 BGADHN C=C/C=C\CCN[C@H](COC)c1ccc(CC)o1 ZINC000878409841 590562267 /nfs/dbraw/zinc/56/22/67/590562267.db2.gz PJGOSBMODSTRMY-LMVHVUTASA-N 0 3 249.354 3.251 20 0 BGADHN C=C/C=C/CCN[C@H](COC)c1ccc(CC)o1 ZINC000878409842 590562308 /nfs/dbraw/zinc/56/23/08/590562308.db2.gz PJGOSBMODSTRMY-PSKZRQQASA-N 0 3 249.354 3.251 20 0 BGADHN C=C/C=C/CCN[C@@H](COC)c1ccc(CC)o1 ZINC000878409843 590562091 /nfs/dbraw/zinc/56/20/91/590562091.db2.gz PJGOSBMODSTRMY-UZYOAWRESA-N 0 3 249.354 3.251 20 0 BGADHN CCCC[C@@H](NCc1nocc1C)C1CCC1 ZINC000878410060 590562144 /nfs/dbraw/zinc/56/21/44/590562144.db2.gz TZQADFSBCGOINO-CYBMUJFWSA-N 0 3 236.359 3.432 20 0 BGADHN CCCC[C@H](NCc1nocc1C)C1CCC1 ZINC000878410061 590561964 /nfs/dbraw/zinc/56/19/64/590561964.db2.gz TZQADFSBCGOINO-ZDUSSCGKSA-N 0 3 236.359 3.432 20 0 BGADHN Cc1ccc(CNC2(C3CC3)CC2)nc1Cl ZINC000878410111 590562254 /nfs/dbraw/zinc/56/22/54/590562254.db2.gz VLGHUGNKPFLFEG-UHFFFAOYSA-N 0 3 236.746 3.076 20 0 BGADHN COCC[C@@H](NCCCC1CC1)c1ccco1 ZINC000878412413 590562710 /nfs/dbraw/zinc/56/27/10/590562710.db2.gz UWPOWAFCSABTSQ-CYBMUJFWSA-N 0 3 237.343 3.137 20 0 BGADHN COCC[C@H](NCCCC1CC1)c1ccco1 ZINC000878412414 590562522 /nfs/dbraw/zinc/56/25/22/590562522.db2.gz UWPOWAFCSABTSQ-ZDUSSCGKSA-N 0 3 237.343 3.137 20 0 BGADHN Cc1ccc([C@@H](C)NC[C@H]2CC3(CCC3)CO2)o1 ZINC000878415179 590563106 /nfs/dbraw/zinc/56/31/06/590563106.db2.gz RBSCEUVCQTXKTE-CHWSQXEVSA-N 0 3 249.354 3.198 20 0 BGADHN Cc1ccc([C@@H](C)NC[C@@H]2CC3(CCC3)CO2)o1 ZINC000878415180 590562859 /nfs/dbraw/zinc/56/28/59/590562859.db2.gz RBSCEUVCQTXKTE-OLZOCXBDSA-N 0 3 249.354 3.198 20 0 BGADHN Cc1ccc([C@H](C)NC[C@H]2CC3(CCC3)CO2)o1 ZINC000878415181 590563116 /nfs/dbraw/zinc/56/31/16/590563116.db2.gz RBSCEUVCQTXKTE-QWHCGFSZSA-N 0 3 249.354 3.198 20 0 BGADHN Cc1ccc([C@H](C)NC[C@@H]2CC3(CCC3)CO2)o1 ZINC000878415182 590562746 /nfs/dbraw/zinc/56/27/46/590562746.db2.gz RBSCEUVCQTXKTE-STQMWFEESA-N 0 3 249.354 3.198 20 0 BGADHN C=C/C=C/CCN[C@@H](CC)c1c(C)noc1C ZINC000878415304 590562916 /nfs/dbraw/zinc/56/29/16/590562916.db2.gz WMIAODOMEFLXNE-GWJCSSMESA-N 0 3 234.343 3.464 20 0 BGADHN C=C/C=C\CCN[C@H](CC)c1c(C)noc1C ZINC000878415323 590563026 /nfs/dbraw/zinc/56/30/26/590563026.db2.gz WMIAODOMEFLXNE-MEJMFZKBSA-N 0 3 234.343 3.464 20 0 BGADHN C=C/C=C/CCN[C@H](CC)c1c(C)noc1C ZINC000878415325 590562788 /nfs/dbraw/zinc/56/27/88/590562788.db2.gz WMIAODOMEFLXNE-SBDDDAINSA-N 0 3 234.343 3.464 20 0 BGADHN C=C/C=C\CCN[C@@H](CC)c1c(C)noc1C ZINC000878415327 590563066 /nfs/dbraw/zinc/56/30/66/590563066.db2.gz WMIAODOMEFLXNE-WSROAFLRSA-N 0 3 234.343 3.464 20 0 BGADHN C[C@@H]1CCCC[C@@H]1NCc1nc2c(o1)CCCC2 ZINC000878415848 590562985 /nfs/dbraw/zinc/56/29/85/590562985.db2.gz WYVCMTSVUWYKEC-NEPJUHHUSA-N 0 3 248.370 3.222 20 0 BGADHN C[C@H]1CCCC[C@H]1NCc1nc2c(o1)CCCC2 ZINC000878415850 590562999 /nfs/dbraw/zinc/56/29/99/590562999.db2.gz WYVCMTSVUWYKEC-NWDGAFQWSA-N 0 3 248.370 3.222 20 0 BGADHN C[C@H]1CCCC[C@@H]1NCc1nc2c(o1)CCCC2 ZINC000878415852 590562681 /nfs/dbraw/zinc/56/26/81/590562681.db2.gz WYVCMTSVUWYKEC-RYUDHWBXSA-N 0 3 248.370 3.222 20 0 BGADHN C[C@@H]1CCCC[C@H]1NCc1nc2c(o1)CCCC2 ZINC000878415853 590562796 /nfs/dbraw/zinc/56/27/96/590562796.db2.gz WYVCMTSVUWYKEC-VXGBXAGGSA-N 0 3 248.370 3.222 20 0 BGADHN C=C/C=C\CCNC(C)(C)c1ncc(C)s1 ZINC000878417086 590563335 /nfs/dbraw/zinc/56/33/35/590563335.db2.gz CGQVUNMRTAUZAB-SREVYHEPSA-N 0 3 236.384 3.409 20 0 BGADHN C=C/C=C/CCNC(C)(C)c1ncc(C)s1 ZINC000878417087 590563272 /nfs/dbraw/zinc/56/32/72/590563272.db2.gz CGQVUNMRTAUZAB-VOTSOKGWSA-N 0 3 236.384 3.409 20 0 BGADHN Cc1cnc(C(C)(C)NCCCC2CC2)s1 ZINC000878418291 590563291 /nfs/dbraw/zinc/56/32/91/590563291.db2.gz XFDAGVWUIOOGFQ-UHFFFAOYSA-N 0 3 238.400 3.466 20 0 BGADHN C=C/C=C\CCN[C@H](C)c1csc(CC)n1 ZINC000878419471 590564173 /nfs/dbraw/zinc/56/41/73/590564173.db2.gz WQVXCNACJBZQFF-JMEBYUIHSA-N 0 3 236.384 3.488 20 0 BGADHN C=C/C=C/CCN[C@@H](C)c1csc(CC)n1 ZINC000878419472 583373736 /nfs/dbraw/zinc/37/37/36/583373736.db2.gz WQVXCNACJBZQFF-MLRMMBSGSA-N 0 3 236.384 3.488 20 0 BGADHN C=C/C=C/CCN[C@H](C)c1csc(CC)n1 ZINC000878419473 583373235 /nfs/dbraw/zinc/37/32/35/583373235.db2.gz WQVXCNACJBZQFF-XUIVZRPNSA-N 0 3 236.384 3.488 20 0 BGADHN C=C/C=C\CCN[C@@H](C)c1csc(CC)n1 ZINC000878419474 583373832 /nfs/dbraw/zinc/37/38/32/583373832.db2.gz WQVXCNACJBZQFF-ZADCQDASSA-N 0 3 236.384 3.488 20 0 BGADHN CCCC[C@@H]1CCC[C@H]1NCc1nocc1C ZINC000878421445 645814233 /nfs/dbraw/zinc/81/42/33/645814233.db2.gz WWXZZIQDKZLXAP-CHWSQXEVSA-N 0 3 236.359 3.432 20 0 BGADHN CCCC[C@@H]1CCC[C@@H]1NCc1nocc1C ZINC000878421446 645813679 /nfs/dbraw/zinc/81/36/79/645813679.db2.gz WWXZZIQDKZLXAP-OLZOCXBDSA-N 0 3 236.359 3.432 20 0 BGADHN CCCC[C@H]1CCC[C@H]1NCc1nocc1C ZINC000878421447 645812772 /nfs/dbraw/zinc/81/27/72/645812772.db2.gz WWXZZIQDKZLXAP-QWHCGFSZSA-N 0 3 236.359 3.432 20 0 BGADHN CCCC[C@H]1CCC[C@@H]1NCc1nocc1C ZINC000878421448 645813969 /nfs/dbraw/zinc/81/39/69/645813969.db2.gz WWXZZIQDKZLXAP-STQMWFEESA-N 0 3 236.359 3.432 20 0 BGADHN C[C@H](NC[C@@H]1CCCC(C)(C)O1)c1ccoc1 ZINC000878422938 645813367 /nfs/dbraw/zinc/81/33/67/645813367.db2.gz OLZLBBGLXCHBDE-AAEUAGOBSA-N 0 3 237.343 3.278 20 0 BGADHN C[C@@H](NC[C@H]1CCCC(C)(C)O1)c1ccoc1 ZINC000878422939 645813948 /nfs/dbraw/zinc/81/39/48/645813948.db2.gz OLZLBBGLXCHBDE-DGCLKSJQSA-N 0 3 237.343 3.278 20 0 BGADHN C[C@H](NC[C@H]1CCCC(C)(C)O1)c1ccoc1 ZINC000878422940 645813682 /nfs/dbraw/zinc/81/36/82/645813682.db2.gz OLZLBBGLXCHBDE-WCQYABFASA-N 0 3 237.343 3.278 20 0 BGADHN C[C@@H](NC[C@@H]1CCCC(C)(C)O1)c1ccoc1 ZINC000878422941 645812785 /nfs/dbraw/zinc/81/27/85/645812785.db2.gz OLZLBBGLXCHBDE-YPMHNXCESA-N 0 3 237.343 3.278 20 0 BGADHN CCC[C@@H]1CCCCN1Cc1nocc1C ZINC000878427578 590565109 /nfs/dbraw/zinc/56/51/09/590565109.db2.gz NAZQKYXUFLYYEV-GFCCVEGCSA-N 0 3 222.332 3.138 20 0 BGADHN CCC[C@H]1CCCCN1Cc1nocc1C ZINC000878427579 590565206 /nfs/dbraw/zinc/56/52/06/590565206.db2.gz NAZQKYXUFLYYEV-LBPRGKRZSA-N 0 3 222.332 3.138 20 0 BGADHN CCC[C@@H]1CCCC[C@H]1NCc1nocc1C ZINC000878448916 590569215 /nfs/dbraw/zinc/56/92/15/590569215.db2.gz WXVYNJYRRKGKAX-CHWSQXEVSA-N 0 3 236.359 3.432 20 0 BGADHN CCC[C@@H]1CCCC[C@@H]1NCc1nocc1C ZINC000878448918 590569210 /nfs/dbraw/zinc/56/92/10/590569210.db2.gz WXVYNJYRRKGKAX-OLZOCXBDSA-N 0 3 236.359 3.432 20 0 BGADHN CCC[C@H]1CCCC[C@H]1NCc1nocc1C ZINC000878448919 590569188 /nfs/dbraw/zinc/56/91/88/590569188.db2.gz WXVYNJYRRKGKAX-QWHCGFSZSA-N 0 3 236.359 3.432 20 0 BGADHN CCC[C@H]1CCCC[C@@H]1NCc1nocc1C ZINC000878448921 590569363 /nfs/dbraw/zinc/56/93/63/590569363.db2.gz WXVYNJYRRKGKAX-STQMWFEESA-N 0 3 236.359 3.432 20 0 BGADHN CC[C@H]1[C@@H](C)CCN1Cc1nc2c(o1)CCCC2 ZINC000878454039 590570539 /nfs/dbraw/zinc/57/05/39/590570539.db2.gz RFLHIQCUEZOLOK-AAEUAGOBSA-N 0 3 248.370 3.174 20 0 BGADHN CC[C@@H]1[C@H](C)CCN1Cc1nc2c(o1)CCCC2 ZINC000878454040 590570568 /nfs/dbraw/zinc/57/05/68/590570568.db2.gz RFLHIQCUEZOLOK-DGCLKSJQSA-N 0 3 248.370 3.174 20 0 BGADHN CC[C@@H]1[C@@H](C)CCN1Cc1nc2c(o1)CCCC2 ZINC000878454041 590571049 /nfs/dbraw/zinc/57/10/49/590571049.db2.gz RFLHIQCUEZOLOK-WCQYABFASA-N 0 3 248.370 3.174 20 0 BGADHN CC[C@H]1[C@H](C)CCN1Cc1nc2c(o1)CCCC2 ZINC000878454042 590570118 /nfs/dbraw/zinc/57/01/18/590570118.db2.gz RFLHIQCUEZOLOK-YPMHNXCESA-N 0 3 248.370 3.174 20 0 BGADHN CCN(Cc1nocc1C)[C@@H]1CCCC[C@H]1C ZINC000878474674 590574267 /nfs/dbraw/zinc/57/42/67/590574267.db2.gz DEEATMRFDZMSEZ-BXUZGUMPSA-N 0 3 236.359 3.384 20 0 BGADHN CCN(Cc1nocc1C)[C@H]1CCCC[C@@H]1C ZINC000878474675 590574317 /nfs/dbraw/zinc/57/43/17/590574317.db2.gz DEEATMRFDZMSEZ-FZMZJTMJSA-N 0 3 236.359 3.384 20 0 BGADHN CCN(Cc1nocc1C)[C@H]1CCCC[C@H]1C ZINC000878474676 590574169 /nfs/dbraw/zinc/57/41/69/590574169.db2.gz DEEATMRFDZMSEZ-RISCZKNCSA-N 0 3 236.359 3.384 20 0 BGADHN CCN(Cc1nocc1C)[C@@H]1CCCC[C@@H]1C ZINC000878474677 590573821 /nfs/dbraw/zinc/57/38/21/590573821.db2.gz DEEATMRFDZMSEZ-SMDDNHRTSA-N 0 3 236.359 3.384 20 0 BGADHN c1nc2c(s1)CN(CC1CC3(CCC3)C1)CC2 ZINC000878481270 590576492 /nfs/dbraw/zinc/57/64/92/590576492.db2.gz MSZOAJKJGJVCLJ-UHFFFAOYSA-N 0 3 248.395 3.082 20 0 BGADHN CC[C@@H]1CCC[C@@H]1NCc1nc2c(o1)CCCC2 ZINC000878508243 590583280 /nfs/dbraw/zinc/58/32/80/590583280.db2.gz QKMMZQXWTNXUSW-NEPJUHHUSA-N 0 3 248.370 3.222 20 0 BGADHN CC[C@H]1CCC[C@H]1NCc1nc2c(o1)CCCC2 ZINC000878508244 590582959 /nfs/dbraw/zinc/58/29/59/590582959.db2.gz QKMMZQXWTNXUSW-NWDGAFQWSA-N 0 3 248.370 3.222 20 0 BGADHN CC[C@H]1CCC[C@@H]1NCc1nc2c(o1)CCCC2 ZINC000878508245 590582828 /nfs/dbraw/zinc/58/28/28/590582828.db2.gz QKMMZQXWTNXUSW-RYUDHWBXSA-N 0 3 248.370 3.222 20 0 BGADHN CC[C@@H]1CCC[C@H]1NCc1nc2c(o1)CCCC2 ZINC000878508246 590582692 /nfs/dbraw/zinc/58/26/92/590582692.db2.gz QKMMZQXWTNXUSW-VXGBXAGGSA-N 0 3 248.370 3.222 20 0 BGADHN C[C@@H](CN1CCC[C@H]1c1cc[nH]n1)C(C)(C)C ZINC000878524149 590586424 /nfs/dbraw/zinc/58/64/24/590586424.db2.gz MRRDRPFSSWYVSM-AAEUAGOBSA-N 0 3 235.375 3.229 20 0 BGADHN C[C@H](CN1CCC[C@@H]1c1cc[nH]n1)C(C)(C)C ZINC000878524151 590586459 /nfs/dbraw/zinc/58/64/59/590586459.db2.gz MRRDRPFSSWYVSM-DGCLKSJQSA-N 0 3 235.375 3.229 20 0 BGADHN C[C@@H](CN1CCC[C@@H]1c1cc[nH]n1)C(C)(C)C ZINC000878524153 590586287 /nfs/dbraw/zinc/58/62/87/590586287.db2.gz MRRDRPFSSWYVSM-WCQYABFASA-N 0 3 235.375 3.229 20 0 BGADHN C[C@H](CN1CCC[C@H]1c1cc[nH]n1)C(C)(C)C ZINC000878524155 590586268 /nfs/dbraw/zinc/58/62/68/590586268.db2.gz MRRDRPFSSWYVSM-YPMHNXCESA-N 0 3 235.375 3.229 20 0 BGADHN c1cc([C@@H]2CCCN2CC2CC3(CCC3)C2)n[nH]1 ZINC000878524572 590586772 /nfs/dbraw/zinc/58/67/72/590586772.db2.gz QSNAHJCBTYYENX-AWEZNQCLSA-N 0 3 245.370 3.127 20 0 BGADHN c1cc([C@H]2CCCN2CC2CC3(CCC3)C2)n[nH]1 ZINC000878524574 590586759 /nfs/dbraw/zinc/58/67/59/590586759.db2.gz QSNAHJCBTYYENX-CQSZACIVSA-N 0 3 245.370 3.127 20 0 BGADHN C[C@@H]1C[C@H](C)N1C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000878533259 590588161 /nfs/dbraw/zinc/58/81/61/590588161.db2.gz MEEILFQKCRJFGM-CLWVCHIJSA-N 0 3 245.366 3.389 20 0 BGADHN C[C@@H]1C[C@H](C)N1C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000878533261 590588292 /nfs/dbraw/zinc/58/82/92/590588292.db2.gz MEEILFQKCRJFGM-LQKXBSAESA-N 0 3 245.366 3.389 20 0 BGADHN C[C@@H]1C[C@H](C)N1C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000878533262 590588183 /nfs/dbraw/zinc/58/81/83/590588183.db2.gz MEEILFQKCRJFGM-OCVGTWLNSA-N 0 3 245.366 3.389 20 0 BGADHN C[C@@H]1C[C@H](C)N1C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000878533264 590587765 /nfs/dbraw/zinc/58/77/65/590587765.db2.gz MEEILFQKCRJFGM-XRGAULLZSA-N 0 3 245.366 3.389 20 0 BGADHN Cc1ccncc1CN(C)CCCC1CC1 ZINC000878540266 590588914 /nfs/dbraw/zinc/58/89/14/590588914.db2.gz KPXAPHWWROAYOY-UHFFFAOYSA-N 0 3 218.344 3.012 20 0 BGADHN Cc1ccncc1CN(C)CC1CC2(CCC2)C1 ZINC000878540614 590588591 /nfs/dbraw/zinc/58/85/91/590588591.db2.gz VTACWPAPDCIHDY-UHFFFAOYSA-N 0 3 244.382 3.402 20 0 BGADHN CC1(C)CCC[C@H](CN2CCC(F)(F)CC2)O1 ZINC000878542578 590589223 /nfs/dbraw/zinc/58/92/23/590589223.db2.gz NWEVYMHBRDKFHY-LLVKDONJSA-N 0 3 247.329 3.065 20 0 BGADHN CC1(C)CCC[C@@H](CN2CCC(F)(F)CC2)O1 ZINC000878542579 590589135 /nfs/dbraw/zinc/58/91/35/590589135.db2.gz NWEVYMHBRDKFHY-NSHDSACASA-N 0 3 247.329 3.065 20 0 BGADHN Cc1conc1CN1CCC[C@@H](C(C)(C)C)C1 ZINC000878544417 590589915 /nfs/dbraw/zinc/58/99/15/590589915.db2.gz RPQKMANTALJGFN-GFCCVEGCSA-N 0 3 236.359 3.241 20 0 BGADHN Cc1conc1CN1CCC[C@H](C(C)(C)C)C1 ZINC000878544418 590590123 /nfs/dbraw/zinc/59/01/23/590590123.db2.gz RPQKMANTALJGFN-LBPRGKRZSA-N 0 3 236.359 3.241 20 0 BGADHN C=C/C=C\CCN1CCCC[C@@H]1c1ccnn1C ZINC000878549758 590590347 /nfs/dbraw/zinc/59/03/47/590590347.db2.gz KGSNTLQCOKXEGR-FOSCPCJNSA-N 0 3 245.370 3.079 20 0 BGADHN C=C/C=C/CCN1CCCC[C@@H]1c1ccnn1C ZINC000878549759 590590572 /nfs/dbraw/zinc/59/05/72/590590572.db2.gz KGSNTLQCOKXEGR-MBVDDHJVSA-N 0 3 245.370 3.079 20 0 BGADHN C=C/C=C/CCN1CCCC[C@H]1c1ccnn1C ZINC000878549760 590590904 /nfs/dbraw/zinc/59/09/04/590590904.db2.gz KGSNTLQCOKXEGR-RGDDUWESSA-N 0 3 245.370 3.079 20 0 BGADHN C=C/C=C\CCN1CCCC[C@H]1c1ccnn1C ZINC000878549761 590590532 /nfs/dbraw/zinc/59/05/32/590590532.db2.gz KGSNTLQCOKXEGR-XVWMLYKFSA-N 0 3 245.370 3.079 20 0 BGADHN Cn1nccc1[C@@H]1CCCCN1CCCC1CC1 ZINC000878549928 590590782 /nfs/dbraw/zinc/59/07/82/590590782.db2.gz MWRGIGMXIJXPBS-HNNXBMFYSA-N 0 3 247.386 3.137 20 0 BGADHN Cn1nccc1[C@H]1CCCCN1CCCC1CC1 ZINC000878549930 590590763 /nfs/dbraw/zinc/59/07/63/590590763.db2.gz MWRGIGMXIJXPBS-OAHLLOKOSA-N 0 3 247.386 3.137 20 0 BGADHN CC(C)c1ncc(CN(C)CCCC2CC2)cn1 ZINC000878553743 590591486 /nfs/dbraw/zinc/59/14/86/590591486.db2.gz QARIIFSLFAXMLR-UHFFFAOYSA-N 0 3 247.386 3.222 20 0 BGADHN C=C/C=C\CCN(C)Cc1cnc(C(C)C)nc1 ZINC000878553970 590591660 /nfs/dbraw/zinc/59/16/60/590591660.db2.gz UGLAGUPBHJVZPC-SREVYHEPSA-N 0 3 245.370 3.164 20 0 BGADHN C=C/C=C/CCN(C)Cc1cnc(C(C)C)nc1 ZINC000878553971 590591550 /nfs/dbraw/zinc/59/15/50/590591550.db2.gz UGLAGUPBHJVZPC-VOTSOKGWSA-N 0 3 245.370 3.164 20 0 BGADHN c1cc([C@@H]2CCCCN2CCCC2CC2)n[nH]1 ZINC000878601260 590594959 /nfs/dbraw/zinc/59/49/59/590594959.db2.gz JQCWHCPMAWGLLW-AWEZNQCLSA-N 0 3 233.359 3.127 20 0 BGADHN c1cc([C@H]2CCCCN2CCCC2CC2)n[nH]1 ZINC000878601261 590595277 /nfs/dbraw/zinc/59/52/77/590595277.db2.gz JQCWHCPMAWGLLW-CQSZACIVSA-N 0 3 233.359 3.127 20 0 BGADHN C=C/C=C\CCN1CCCC[C@H]1c1cc[nH]n1 ZINC000878601714 590594836 /nfs/dbraw/zinc/59/48/36/590594836.db2.gz NSAWBUCELLZRON-NQHOJNORSA-N 0 3 231.343 3.069 20 0 BGADHN C=C/C=C/CCN1CCCC[C@@H]1c1cc[nH]n1 ZINC000878601716 590595006 /nfs/dbraw/zinc/59/50/06/590595006.db2.gz NSAWBUCELLZRON-RDFMZFSFSA-N 0 3 231.343 3.069 20 0 BGADHN C=C/C=C\CCN1CCCC[C@@H]1c1cc[nH]n1 ZINC000878601718 590595100 /nfs/dbraw/zinc/59/51/00/590595100.db2.gz NSAWBUCELLZRON-VQTKUKTRSA-N 0 3 231.343 3.069 20 0 BGADHN C=C/C=C/CCN1CCCC[C@H]1c1cc[nH]n1 ZINC000878601721 590595116 /nfs/dbraw/zinc/59/51/16/590595116.db2.gz NSAWBUCELLZRON-XGACYXMMSA-N 0 3 231.343 3.069 20 0 BGADHN C[C@@H](NCCCC1CC1)c1c(F)cncc1F ZINC000878613151 590596206 /nfs/dbraw/zinc/59/62/06/590596206.db2.gz GQFKUPGVNFUYRW-SECBINFHSA-N 0 3 240.297 3.201 20 0 BGADHN C[C@H](NCCCC1CC1)c1c(F)cncc1F ZINC000878613152 590596365 /nfs/dbraw/zinc/59/63/65/590596365.db2.gz GQFKUPGVNFUYRW-VIFPVBQESA-N 0 3 240.297 3.201 20 0 BGADHN Cc1noc(C)c1C(C)(C)NCCCC1CC1 ZINC000878613243 590596726 /nfs/dbraw/zinc/59/67/26/590596726.db2.gz IZQCMLSTGBVWRH-UHFFFAOYSA-N 0 3 236.359 3.306 20 0 BGADHN C=C/C=C/CCNC(C)(C)c1c(C)noc1C ZINC000878613729 590596425 /nfs/dbraw/zinc/59/64/25/590596425.db2.gz VQDKOVBRVVIIBS-BQYQJAHWSA-N 0 3 234.343 3.248 20 0 BGADHN C=C/C=C\CCNC(C)(C)c1c(C)noc1C ZINC000878613730 590596415 /nfs/dbraw/zinc/59/64/15/590596415.db2.gz VQDKOVBRVVIIBS-FPLPWBNLSA-N 0 3 234.343 3.248 20 0 BGADHN C=C/C=C\CCN1CCC=C(c2cccnc2)C1 ZINC000878617548 590596961 /nfs/dbraw/zinc/59/69/61/590596961.db2.gz RJRSPNCJNFFDFG-ARJAWSKDSA-N 0 3 240.350 3.303 20 0 BGADHN C=C/C=C/CCN1CCC=C(c2cccnc2)C1 ZINC000878617549 590597358 /nfs/dbraw/zinc/59/73/58/590597358.db2.gz RJRSPNCJNFFDFG-ONEGZZNKSA-N 0 3 240.350 3.303 20 0 BGADHN c1cncc(C2=CCCN(CCCC3CC3)C2)c1 ZINC000878617662 590597055 /nfs/dbraw/zinc/59/70/55/590597055.db2.gz UMLZLMFBNZJSRM-UHFFFAOYSA-N 0 3 242.366 3.361 20 0 BGADHN C=C/C=C/CCN(C)Cc1occc1C ZINC000878644132 590600566 /nfs/dbraw/zinc/60/05/66/590600566.db2.gz SPFIDMUZAOTKJP-AATRIKPKSA-N 0 3 205.301 3.152 20 0 BGADHN C=C/C=C\CCN(C)Cc1occc1C ZINC000878644133 590600291 /nfs/dbraw/zinc/60/02/91/590600291.db2.gz SPFIDMUZAOTKJP-WAYWQWQTSA-N 0 3 205.301 3.152 20 0 BGADHN C=C/C=C\CCN1CCC=C(c2ccccn2)C1 ZINC000878647019 590601245 /nfs/dbraw/zinc/60/12/45/590601245.db2.gz DBGWMKGAJUDSRL-ARJAWSKDSA-N 0 3 240.350 3.303 20 0 BGADHN C=C/C=C/CCN1CCC=C(c2ccccn2)C1 ZINC000878647020 590601390 /nfs/dbraw/zinc/60/13/90/590601390.db2.gz DBGWMKGAJUDSRL-ONEGZZNKSA-N 0 3 240.350 3.303 20 0 BGADHN c1ccc(C2=CCCN(CCCC3CC3)C2)nc1 ZINC000878647838 590601060 /nfs/dbraw/zinc/60/10/60/590601060.db2.gz IQIUJQODPFMVAF-UHFFFAOYSA-N 0 3 242.366 3.361 20 0 BGADHN C[C@@H]1CN(C[C@@H]2CC[C@H](c3ccccc3)O2)[C@H]1C ZINC000878652673 590602397 /nfs/dbraw/zinc/60/23/97/590602397.db2.gz UFVRHCDKKFUTJA-BFJAYTPKSA-N 0 3 245.366 3.247 20 0 BGADHN C[C@@H]1CN(C[C@@H]2CC[C@H](c3ccccc3)O2)[C@@H]1C ZINC000878652674 590602257 /nfs/dbraw/zinc/60/22/57/590602257.db2.gz UFVRHCDKKFUTJA-LUYZLQTOSA-N 0 3 245.366 3.247 20 0 BGADHN C[C@@H]1CN(C[C@@H]2CC[C@@H](c3ccccc3)O2)[C@@H]1C ZINC000878652675 590602277 /nfs/dbraw/zinc/60/22/77/590602277.db2.gz UFVRHCDKKFUTJA-VDERGJSUSA-N 0 3 245.366 3.247 20 0 BGADHN C[C@@H]1CN(C[C@@H]2CC[C@@H](c3ccccc3)O2)[C@H]1C ZINC000878652676 590602162 /nfs/dbraw/zinc/60/21/62/590602162.db2.gz UFVRHCDKKFUTJA-VRKREXBASA-N 0 3 245.366 3.247 20 0 BGADHN CC1(C)CCC[C@@H](CN2CCC[C@@](C)(F)C2)O1 ZINC000878657869 590603960 /nfs/dbraw/zinc/60/39/60/590603960.db2.gz JVOPRXAWSJNAIA-GXTWGEPZSA-N 0 3 243.366 3.158 20 0 BGADHN CC1(C)CCC[C@@H](CN2CCC[C@](C)(F)C2)O1 ZINC000878657870 590604070 /nfs/dbraw/zinc/60/40/70/590604070.db2.gz JVOPRXAWSJNAIA-JSGCOSHPSA-N 0 3 243.366 3.158 20 0 BGADHN CC1(C)CCC[C@H](CN2CCC[C@](C)(F)C2)O1 ZINC000878657871 590604051 /nfs/dbraw/zinc/60/40/51/590604051.db2.gz JVOPRXAWSJNAIA-OCCSQVGLSA-N 0 3 243.366 3.158 20 0 BGADHN CC1(C)CCC[C@H](CN2CCC[C@@](C)(F)C2)O1 ZINC000878657872 590603588 /nfs/dbraw/zinc/60/35/88/590603588.db2.gz JVOPRXAWSJNAIA-TZMCWYRMSA-N 0 3 243.366 3.158 20 0 BGADHN Cc1conc1CN1CCC[C@@]1(C)CC(C)C ZINC000878665162 590605813 /nfs/dbraw/zinc/60/58/13/590605813.db2.gz GNGQLPTXSLYSHS-AWEZNQCLSA-N 0 3 236.359 3.384 20 0 BGADHN Cc1conc1CN1CCC[C@]1(C)CC(C)C ZINC000878665164 590605856 /nfs/dbraw/zinc/60/58/56/590605856.db2.gz GNGQLPTXSLYSHS-CQSZACIVSA-N 0 3 236.359 3.384 20 0 BGADHN C=C/C=C\CCN1CCN(C)C2(CCCCC2)C1 ZINC000878666239 590605788 /nfs/dbraw/zinc/60/57/88/590605788.db2.gz QFJJMUCLAIDIEX-PLNGDYQASA-N 0 3 248.414 3.069 20 0 BGADHN C=C/C=C/CCN1CCN(C)C2(CCCCC2)C1 ZINC000878666240 590606055 /nfs/dbraw/zinc/60/60/55/590606055.db2.gz QFJJMUCLAIDIEX-SNAWJCMRSA-N 0 3 248.414 3.069 20 0 BGADHN CCC1(NCc2nc3c(o2)CCCC3)CCCC1 ZINC000878666780 590605877 /nfs/dbraw/zinc/60/58/77/590605877.db2.gz WUGARBNDTRMPOI-UHFFFAOYSA-N 0 3 248.370 3.366 20 0 BGADHN CN(Cc1ccccn1)CC1CC2(CCC2)C1 ZINC000878667922 590606919 /nfs/dbraw/zinc/60/69/19/590606919.db2.gz FIRDSSVEUGLOMD-UHFFFAOYSA-N 0 3 230.355 3.094 20 0 BGADHN Cc1ccc(CN(C)CCCC2CC2)nc1 ZINC000878668711 590607078 /nfs/dbraw/zinc/60/70/78/590607078.db2.gz FVJINBMBXVCUAF-UHFFFAOYSA-N 0 3 218.344 3.012 20 0 BGADHN Cc1ccc(CN(C)CC2CC3(CCC3)C2)nc1 ZINC000878668817 590606477 /nfs/dbraw/zinc/60/64/77/590606477.db2.gz JMRSIPYOWZHIHI-UHFFFAOYSA-N 0 3 244.382 3.402 20 0 BGADHN CCC[C@@H](NCc1nocc1C)C(C)(C)C ZINC000878669433 590607025 /nfs/dbraw/zinc/60/70/25/590607025.db2.gz BXQNTFZOZSGEJM-GFCCVEGCSA-N 0 3 224.348 3.287 20 0 BGADHN CCC[C@H](NCc1nocc1C)C(C)(C)C ZINC000878669434 590606449 /nfs/dbraw/zinc/60/64/49/590606449.db2.gz BXQNTFZOZSGEJM-LBPRGKRZSA-N 0 3 224.348 3.287 20 0 BGADHN Cc1ccc(CN[C@@H]2CCC2(C)C)nc1Cl ZINC000878672532 590607350 /nfs/dbraw/zinc/60/73/50/590607350.db2.gz GVKQDGXYJOQFAW-LLVKDONJSA-N 0 3 238.762 3.322 20 0 BGADHN Cc1ccc(CN[C@H]2CCC2(C)C)nc1Cl ZINC000878672533 590607507 /nfs/dbraw/zinc/60/75/07/590607507.db2.gz GVKQDGXYJOQFAW-NSHDSACASA-N 0 3 238.762 3.322 20 0 BGADHN Cc1conc1CN1CCCCCCCC1 ZINC000878682062 590608478 /nfs/dbraw/zinc/60/84/78/590608478.db2.gz JWEUHJUTNOMMKI-UHFFFAOYSA-N 0 3 222.332 3.139 20 0 BGADHN Cc1conc1CN[C@@H](C)[C@H]1CCC[C@H](C)C1 ZINC000878692199 590610559 /nfs/dbraw/zinc/61/05/59/590610559.db2.gz WSEGDCBCSHDIKQ-DRZSPHRISA-N 0 3 236.359 3.287 20 0 BGADHN Cc1conc1CN[C@@H](C)[C@@H]1CCC[C@@H](C)C1 ZINC000878692200 590610195 /nfs/dbraw/zinc/61/01/95/590610195.db2.gz WSEGDCBCSHDIKQ-KGYLQXTDSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1conc1CN[C@@H](C)[C@@H]1CCC[C@H](C)C1 ZINC000878692201 590610819 /nfs/dbraw/zinc/61/08/19/590610819.db2.gz WSEGDCBCSHDIKQ-WCFLWFBJSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1conc1CN[C@@H](C)[C@H]1CCC[C@@H](C)C1 ZINC000878692202 590610761 /nfs/dbraw/zinc/61/07/61/590610761.db2.gz WSEGDCBCSHDIKQ-WXHSDQCUSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1conc1CN1CC[C@H](CC(C)(C)C)C1 ZINC000878693289 590610487 /nfs/dbraw/zinc/61/04/87/590610487.db2.gz QOYWNRBBEUNEON-GFCCVEGCSA-N 0 3 236.359 3.241 20 0 BGADHN Cc1conc1CN1CC[C@@H](CC(C)(C)C)C1 ZINC000878693290 590610170 /nfs/dbraw/zinc/61/01/70/590610170.db2.gz QOYWNRBBEUNEON-LBPRGKRZSA-N 0 3 236.359 3.241 20 0 BGADHN CC(C)(C)SCCCN1C[C@@H]2C[C@H]1CS2 ZINC000878705966 590613246 /nfs/dbraw/zinc/61/32/46/590613246.db2.gz NVMMIDYLRNZMNH-QWRGUYRKSA-N 0 3 245.457 3.098 20 0 BGADHN FC1(F)CCC[C@H]1CCN1C[C@@H]2C[C@H]1CS2 ZINC000878706294 590612998 /nfs/dbraw/zinc/61/29/98/590612998.db2.gz VKPMIKCMOWZVSX-DCAQKATOSA-N 0 3 247.354 3.002 20 0 BGADHN FC1(F)CCC[C@@H]1CCN1C[C@@H]2C[C@H]1CS2 ZINC000878706298 590612037 /nfs/dbraw/zinc/61/20/37/590612037.db2.gz VKPMIKCMOWZVSX-VWYCJHECSA-N 0 3 247.354 3.002 20 0 BGADHN O=C1CCN(CC2CC3(CCC3)C2)C2(CCC2)C1 ZINC000878716693 590615338 /nfs/dbraw/zinc/61/53/38/590615338.db2.gz NLBCTOAZCHBHKS-UHFFFAOYSA-N 0 3 247.382 3.154 20 0 BGADHN C[C@@H]1[C@@H](C)[C@H](C)CN1Cc1nc2c(o1)CCCC2 ZINC000878717550 590615146 /nfs/dbraw/zinc/61/51/46/590615146.db2.gz CTJOCGCGGPRYJT-GRYCIOLGSA-N 0 3 248.370 3.030 20 0 BGADHN C[C@H]1[C@@H](C)N(Cc2nc3c(o2)CCCC3)C[C@H]1C ZINC000878717551 590615185 /nfs/dbraw/zinc/61/51/85/590615185.db2.gz CTJOCGCGGPRYJT-IJLUTSLNSA-N 0 3 248.370 3.030 20 0 BGADHN C[C@@H]1[C@H](C)CN(Cc2nc3c(o2)CCCC3)[C@H]1C ZINC000878717552 590615180 /nfs/dbraw/zinc/61/51/80/590615180.db2.gz CTJOCGCGGPRYJT-UTUOFQBUSA-N 0 3 248.370 3.030 20 0 BGADHN C[C@@H]1CN(Cc2nc3c(o2)CCCC3)[C@@H](C)[C@H]1C ZINC000878717553 590615505 /nfs/dbraw/zinc/61/55/05/590615505.db2.gz CTJOCGCGGPRYJT-WOPDTQHZSA-N 0 3 248.370 3.030 20 0 BGADHN Cc1ccc(CN(C)C(C)(C)C)nc1Cl ZINC000878769616 590620633 /nfs/dbraw/zinc/62/06/33/590620633.db2.gz RIRXGHWVCBGQAO-UHFFFAOYSA-N 0 3 226.751 3.274 20 0 BGADHN Cc1conc1CN1CCCC[C@H]1C1CCC1 ZINC000878771559 590620715 /nfs/dbraw/zinc/62/07/15/590620715.db2.gz OUGFRRBYUUFZSM-AWEZNQCLSA-N 0 3 234.343 3.138 20 0 BGADHN Cc1conc1CN1CCCC[C@@H]1C1CCC1 ZINC000878771560 590620689 /nfs/dbraw/zinc/62/06/89/590620689.db2.gz OUGFRRBYUUFZSM-CQSZACIVSA-N 0 3 234.343 3.138 20 0 BGADHN C=C/C=C/CCN(Cc1cnn(CC)c1)C(C)C ZINC000878807295 590626534 /nfs/dbraw/zinc/62/65/34/590626534.db2.gz MASFMXOXZGDLSC-BQYQJAHWSA-N 0 3 247.386 3.246 20 0 BGADHN C=C/C=C\CCN(Cc1cnn(CC)c1)C(C)C ZINC000878807296 583403530 /nfs/dbraw/zinc/40/35/30/583403530.db2.gz MASFMXOXZGDLSC-FPLPWBNLSA-N 0 3 247.386 3.246 20 0 BGADHN CCn1cc(CN(CCCC2CC2)C(C)C)cn1 ZINC000878807737 583403473 /nfs/dbraw/zinc/40/34/73/583403473.db2.gz SGWKXCDOFYWTML-UHFFFAOYSA-N 0 3 249.402 3.304 20 0 BGADHN CC(C)(C)SCCCN1C[C@H]2[C@@H](C1)C2(F)F ZINC000878811207 590626346 /nfs/dbraw/zinc/62/63/46/590626346.db2.gz DNSQMVVRNMSOMD-AOOOYVTPSA-N 0 3 249.370 3.105 20 0 BGADHN CN(Cc1ccns1)CC1CC2(CCC2)C1 ZINC000878899375 590643836 /nfs/dbraw/zinc/64/38/36/590643836.db2.gz HRQICFFSUPLEDP-UHFFFAOYSA-N 0 3 236.384 3.155 20 0 BGADHN Cc1conc1CN1CC[C@H](C2CCCCC2)C1 ZINC000878934560 590655493 /nfs/dbraw/zinc/65/54/93/590655493.db2.gz NRBLJLXEBJSDHN-AWEZNQCLSA-N 0 3 248.370 3.385 20 0 BGADHN Cc1conc1CN1CC[C@@H](C2CCCCC2)C1 ZINC000878934561 590655460 /nfs/dbraw/zinc/65/54/60/590655460.db2.gz NRBLJLXEBJSDHN-CQSZACIVSA-N 0 3 248.370 3.385 20 0 BGADHN C[C@H](CN1CCC[C@@H]1c1ncccn1)C(C)(C)C ZINC000878979645 590666422 /nfs/dbraw/zinc/66/64/22/590666422.db2.gz ZSYVJZOPAQXJFJ-CHWSQXEVSA-N 0 3 247.386 3.296 20 0 BGADHN C[C@H](CN1CCC[C@H]1c1ncccn1)C(C)(C)C ZINC000878979646 590666910 /nfs/dbraw/zinc/66/69/10/590666910.db2.gz ZSYVJZOPAQXJFJ-OLZOCXBDSA-N 0 3 247.386 3.296 20 0 BGADHN C[C@@H](CN1CCC[C@@H]1c1ncccn1)C(C)(C)C ZINC000878979647 590666087 /nfs/dbraw/zinc/66/60/87/590666087.db2.gz ZSYVJZOPAQXJFJ-QWHCGFSZSA-N 0 3 247.386 3.296 20 0 BGADHN C[C@@H](CN1CCC[C@H]1c1ncccn1)C(C)(C)C ZINC000878979648 590666216 /nfs/dbraw/zinc/66/62/16/590666216.db2.gz ZSYVJZOPAQXJFJ-STQMWFEESA-N 0 3 247.386 3.296 20 0 BGADHN CC[C@@H]1CCC[C@H](C)N1Cc1nocc1C ZINC000878994958 590672510 /nfs/dbraw/zinc/67/25/10/590672510.db2.gz GOEXFVVLOFKUJN-NWDGAFQWSA-N 0 3 222.332 3.136 20 0 BGADHN Cc1conc1CN1CCC[C@@H]2CCCC[C@@H]21 ZINC000879008195 590677086 /nfs/dbraw/zinc/67/70/86/590677086.db2.gz COGNZHSMPMUXJU-JSGCOSHPSA-N 0 3 234.343 3.138 20 0 BGADHN Cc1conc1CN1CC(C)(C)CCC1(C)C ZINC000879034160 590682957 /nfs/dbraw/zinc/68/29/57/590682957.db2.gz YZOMHGWKEFMLEV-UHFFFAOYSA-N 0 3 236.359 3.384 20 0 BGADHN C[C@H](NCC1CC2(CCC2)C1)c1ccns1 ZINC000879062944 590690272 /nfs/dbraw/zinc/69/02/72/590690272.db2.gz LWMIHNZZBBNUJI-JTQLQIEISA-N 0 3 236.384 3.374 20 0 BGADHN C[C@@H](NCC1CC2(CCC2)C1)c1ccns1 ZINC000879062950 590690229 /nfs/dbraw/zinc/69/02/29/590690229.db2.gz LWMIHNZZBBNUJI-SNVBAGLBSA-N 0 3 236.384 3.374 20 0 BGADHN CCn1nc(C)c(CN(C)CCCC2CC2)c1C ZINC000879118394 590699627 /nfs/dbraw/zinc/69/96/27/590699627.db2.gz DZOJKRYZJBEHIJ-UHFFFAOYSA-N 0 3 249.402 3.142 20 0 BGADHN C=C/C=C/CCN(C)Cc1c(C)nn(CC)c1C ZINC000879118590 590699053 /nfs/dbraw/zinc/69/90/53/590699053.db2.gz HOOVFCXWMMZSDF-CMDGGOBGSA-N 0 3 247.386 3.084 20 0 BGADHN C=C/C=C\CCN(C)Cc1c(C)nn(CC)c1C ZINC000879118592 590699191 /nfs/dbraw/zinc/69/91/91/590699191.db2.gz HOOVFCXWMMZSDF-HJWRWDBZSA-N 0 3 247.386 3.084 20 0 BGADHN Cl/C=C\CN1CCC2(CCSCC2)CC1 ZINC000879199069 590713224 /nfs/dbraw/zinc/71/32/24/590713224.db2.gz QVXZSDPUCUDDQE-BHQIHCQQSA-N 0 3 245.819 3.348 20 0 BGADHN Cl/C=C/CN1CCC2(CCSCC2)CC1 ZINC000879199070 590713359 /nfs/dbraw/zinc/71/33/59/590713359.db2.gz QVXZSDPUCUDDQE-LZCJLJQNSA-N 0 3 245.819 3.348 20 0 BGADHN CC(C)(C)C(=O)CCN1CCC(CCF)CC1 ZINC000879208372 590714441 /nfs/dbraw/zinc/71/44/41/590714441.db2.gz CUBQPQSTXLSYCE-UHFFFAOYSA-N 0 3 243.366 3.063 20 0 BGADHN CC(C)CC(=O)CCN1CCC(CCF)CC1 ZINC000879212271 590711508 /nfs/dbraw/zinc/71/15/08/590711508.db2.gz XTBUBRRBDJNPGD-UHFFFAOYSA-N 0 3 243.366 3.063 20 0 BGADHN C=C/C=C/CCN[C@H](C)c1cnc(C)s1 ZINC000879252782 590721339 /nfs/dbraw/zinc/72/13/39/590721339.db2.gz BEKZKUHPQOGZBM-BRAIEQGRSA-N 0 3 222.357 3.234 20 0 BGADHN C=C/C=C\CCN[C@@H](C)c1cnc(C)s1 ZINC000879252783 590721732 /nfs/dbraw/zinc/72/17/32/590721732.db2.gz BEKZKUHPQOGZBM-OMMCCPJFSA-N 0 3 222.357 3.234 20 0 BGADHN C=C/C=C/CCN[C@@H](C)c1cnc(C)s1 ZINC000879252784 590720533 /nfs/dbraw/zinc/72/05/33/590720533.db2.gz BEKZKUHPQOGZBM-PORFMDCZSA-N 0 3 222.357 3.234 20 0 BGADHN C=C/C=C\CCN[C@H](C)c1cnc(C)s1 ZINC000879252785 590721456 /nfs/dbraw/zinc/72/14/56/590721456.db2.gz BEKZKUHPQOGZBM-WWQCOOJYSA-N 0 3 222.357 3.234 20 0 BGADHN C[C@H](NCc1cccc(F)n1)[C@@]12C[C@@H]1CCCC2 ZINC000879265101 590724014 /nfs/dbraw/zinc/72/40/14/590724014.db2.gz FKKHKFGJGUXZKR-SLEUVZQESA-N 0 3 248.345 3.279 20 0 BGADHN C[C@H](NCc1cccc(F)n1)[C@]12C[C@H]1CCCC2 ZINC000879265103 590724293 /nfs/dbraw/zinc/72/42/93/590724293.db2.gz FKKHKFGJGUXZKR-ZOWXZIJZSA-N 0 3 248.345 3.279 20 0 BGADHN Cc1oncc1CN[C@H](C)[C@]12C[C@H]1CCCC2 ZINC000879266498 590726508 /nfs/dbraw/zinc/72/65/08/590726508.db2.gz XCDLWZORKCDZED-BNOWGMLFSA-N 0 3 234.343 3.041 20 0 BGADHN Cc1oncc1CN[C@H](C)[C@@]12C[C@@H]1CCCC2 ZINC000879266499 590725942 /nfs/dbraw/zinc/72/59/42/590725942.db2.gz XCDLWZORKCDZED-KWCYVHTRSA-N 0 3 234.343 3.041 20 0 BGADHN CCc1nocc1CN[C@H](C)[C@]12C[C@H]1CCCC2 ZINC000879266660 590725763 /nfs/dbraw/zinc/72/57/63/590725763.db2.gz YPBUILMPORNJDH-KYOSRNDESA-N 0 3 248.370 3.295 20 0 BGADHN CCc1nocc1CN[C@H](C)[C@@]12C[C@@H]1CCCC2 ZINC000879266661 590726411 /nfs/dbraw/zinc/72/64/11/590726411.db2.gz YPBUILMPORNJDH-OSAQELSMSA-N 0 3 248.370 3.295 20 0 BGADHN CO[C@H]1CC[C@H](C)N(Cc2csc(C)c2)C1 ZINC000879324583 590744384 /nfs/dbraw/zinc/74/43/84/590744384.db2.gz IKEXJIDCEOBIHI-GWCFXTLKSA-N 0 3 239.384 3.056 20 0 BGADHN CO[C@@H]1CC[C@H](C)N(Cc2csc(C)c2)C1 ZINC000879324584 590743907 /nfs/dbraw/zinc/74/39/07/590743907.db2.gz IKEXJIDCEOBIHI-GXFFZTMASA-N 0 3 239.384 3.056 20 0 BGADHN CO[C@H]1CC[C@@H](C)N(Cc2csc(C)c2)C1 ZINC000879324585 590744761 /nfs/dbraw/zinc/74/47/61/590744761.db2.gz IKEXJIDCEOBIHI-MFKMUULPSA-N 0 3 239.384 3.056 20 0 BGADHN CO[C@@H]1CC[C@@H](C)N(Cc2csc(C)c2)C1 ZINC000879324586 590744900 /nfs/dbraw/zinc/74/49/00/590744900.db2.gz IKEXJIDCEOBIHI-ZWNOBZJWSA-N 0 3 239.384 3.056 20 0 BGADHN CC(C)(C)OC1CC(N2CCC(C)(F)CC2)C1 ZINC000879383159 590758628 /nfs/dbraw/zinc/75/86/28/590758628.db2.gz DAVIHGLMFNOMFA-UHFFFAOYSA-N 0 3 243.366 3.157 20 0 BGADHN CC1(C)CC[C@H](CN2CCC(C)(F)CC2)OC1 ZINC000879383307 590757709 /nfs/dbraw/zinc/75/77/09/590757709.db2.gz HOTDLSWNOMOHMJ-GFCCVEGCSA-N 0 3 243.366 3.016 20 0 BGADHN CC1(C)CC[C@@H](CN2CCC(C)(F)CC2)OC1 ZINC000879383308 590758416 /nfs/dbraw/zinc/75/84/16/590758416.db2.gz HOTDLSWNOMOHMJ-LBPRGKRZSA-N 0 3 243.366 3.016 20 0 BGADHN Cc1oncc1CN1CCC[C@H](C2CCC2)CC1 ZINC000879427128 590766650 /nfs/dbraw/zinc/76/66/50/590766650.db2.gz ZQWSHAOKGJBMNB-AWEZNQCLSA-N 0 3 248.370 3.385 20 0 BGADHN Cc1oncc1CN1CCC[C@@H](C2CCC2)CC1 ZINC000879427129 590766970 /nfs/dbraw/zinc/76/69/70/590766970.db2.gz ZQWSHAOKGJBMNB-CQSZACIVSA-N 0 3 248.370 3.385 20 0 BGADHN Clc1cc(CN2C[C@@H]3CC=CC[C@@H]3C2)ccn1 ZINC000879528602 590790113 /nfs/dbraw/zinc/79/01/13/590790113.db2.gz JEBIMRMJAMGSDT-BETUJISGSA-N 0 3 248.757 3.133 20 0 BGADHN CC(C)c1cnc(CN2C[C@@H]3CC=CC[C@@H]3C2)o1 ZINC000879529170 590791585 /nfs/dbraw/zinc/79/15/85/590791585.db2.gz SNPCPUJJMMUZIF-BETUJISGSA-N 0 3 246.354 3.196 20 0 BGADHN Clc1cccnc1CN1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879530340 590793294 /nfs/dbraw/zinc/79/32/94/590793294.db2.gz CSISKELWGZHFKE-TXEJJXNPSA-N 0 3 248.757 3.133 20 0 BGADHN FC(F)(F)[C@@H]1CC=CC[C@H]1NC/C=C/Cl ZINC000879668378 590846310 /nfs/dbraw/zinc/84/63/10/590846310.db2.gz YSSYYEJSWSYXII-PVNVNXCXSA-N 0 3 239.668 3.226 20 0 BGADHN FC(F)(F)[C@@H]1CC=CC[C@H]1NC/C=C\Cl ZINC000879668379 590842554 /nfs/dbraw/zinc/84/25/54/590842554.db2.gz YSSYYEJSWSYXII-UCOPNCLCSA-N 0 3 239.668 3.226 20 0 BGADHN CC[C@@H](CN(C)Cc1ccc2cc[nH]c2c1)OC ZINC000879726894 590856821 /nfs/dbraw/zinc/85/68/21/590856821.db2.gz ABUWCFNCUNJLES-AWEZNQCLSA-N 0 3 246.354 3.025 20 0 BGADHN CC[C@H](CN(C)Cc1ccc2cc[nH]c2c1)OC ZINC000879726899 590856466 /nfs/dbraw/zinc/85/64/66/590856466.db2.gz ABUWCFNCUNJLES-CQSZACIVSA-N 0 3 246.354 3.025 20 0 BGADHN CC(C)=CCN1CCC[C@H]1c1cncc(C)c1 ZINC000879746560 590861177 /nfs/dbraw/zinc/86/11/77/590861177.db2.gz AXHKWCQIXFNGRM-HNNXBMFYSA-N 0 3 230.355 3.493 20 0 BGADHN CC(C)=CCN1CCC[C@@H]1c1cncc(C)c1 ZINC000879746561 590861563 /nfs/dbraw/zinc/86/15/63/590861563.db2.gz AXHKWCQIXFNGRM-OAHLLOKOSA-N 0 3 230.355 3.493 20 0 BGADHN Cc1cncc([C@@H]2CCCN2CCCCF)c1 ZINC000879751861 590862114 /nfs/dbraw/zinc/86/21/14/590862114.db2.gz NPPHREVJXCIWRZ-AWEZNQCLSA-N 0 3 236.334 3.277 20 0 BGADHN Cc1cncc([C@H]2CCCN2CCCCF)c1 ZINC000879751862 590862563 /nfs/dbraw/zinc/86/25/63/590862563.db2.gz NPPHREVJXCIWRZ-CQSZACIVSA-N 0 3 236.334 3.277 20 0 BGADHN C[C@@]1(C(F)(F)F)CCN([C@@H]2C=CCCC2)C1 ZINC000879999638 590907370 /nfs/dbraw/zinc/90/73/70/590907370.db2.gz GTHRGHQORVNKPM-GHMZBOCLSA-N 0 3 233.277 3.369 20 0 BGADHN C[C@]1(C(F)(F)F)CCN([C@@H]2C=CCCC2)C1 ZINC000879999639 590906808 /nfs/dbraw/zinc/90/68/08/590906808.db2.gz GTHRGHQORVNKPM-MNOVXSKESA-N 0 3 233.277 3.369 20 0 BGADHN C[C@]1(C(F)(F)F)CCN([C@H]2C=CCCC2)C1 ZINC000879999640 590906839 /nfs/dbraw/zinc/90/68/39/590906839.db2.gz GTHRGHQORVNKPM-QWRGUYRKSA-N 0 3 233.277 3.369 20 0 BGADHN C[C@@]1(C(F)(F)F)CCN([C@H]2C=CCCC2)C1 ZINC000879999641 590906589 /nfs/dbraw/zinc/90/65/89/590906589.db2.gz GTHRGHQORVNKPM-WDEREUQCSA-N 0 3 233.277 3.369 20 0 BGADHN C[C@@]1(C(F)(F)F)CCN(CC2=CCCC2)C1 ZINC000880004318 590908452 /nfs/dbraw/zinc/90/84/52/590908452.db2.gz SVMCROOCQOEVJE-LLVKDONJSA-N 0 3 233.277 3.371 20 0 BGADHN C[C@]1(C(F)(F)F)CCN(CC2=CCCC2)C1 ZINC000880004319 590907879 /nfs/dbraw/zinc/90/78/79/590907879.db2.gz SVMCROOCQOEVJE-NSHDSACASA-N 0 3 233.277 3.371 20 0 BGADHN Cc1csc([C@@H]2CCN([C@@H]3C=CCCC3)C2)n1 ZINC000880009421 590908968 /nfs/dbraw/zinc/90/89/68/590908968.db2.gz HTBLGBYEAMPJMS-CHWSQXEVSA-N 0 3 248.395 3.350 20 0 BGADHN Cc1csc([C@@H]2CCN([C@H]3C=CCCC3)C2)n1 ZINC000880009422 590908371 /nfs/dbraw/zinc/90/83/71/590908371.db2.gz HTBLGBYEAMPJMS-OLZOCXBDSA-N 0 3 248.395 3.350 20 0 BGADHN Cc1csc([C@H]2CCN([C@@H]3C=CCCC3)C2)n1 ZINC000880009424 590908899 /nfs/dbraw/zinc/90/88/99/590908899.db2.gz HTBLGBYEAMPJMS-QWHCGFSZSA-N 0 3 248.395 3.350 20 0 BGADHN Cc1csc([C@H]2CCN([C@H]3C=CCCC3)C2)n1 ZINC000880009425 590909033 /nfs/dbraw/zinc/90/90/33/590909033.db2.gz HTBLGBYEAMPJMS-STQMWFEESA-N 0 3 248.395 3.350 20 0 BGADHN Cc1csc([C@@H]2CCN(CC3=CCCC3)C2)n1 ZINC000880012320 590910092 /nfs/dbraw/zinc/91/00/92/590910092.db2.gz PYPAHFYNWNGPCR-CYBMUJFWSA-N 0 3 248.395 3.351 20 0 BGADHN Cc1csc([C@H]2CCN(CC3=CCCC3)C2)n1 ZINC000880012321 590911176 /nfs/dbraw/zinc/91/11/76/590911176.db2.gz PYPAHFYNWNGPCR-ZDUSSCGKSA-N 0 3 248.395 3.351 20 0 BGADHN C[C@H](CN(C)Cc1cccc(F)n1)C(C)(C)C ZINC000880075569 590918800 /nfs/dbraw/zinc/91/88/00/590918800.db2.gz DBOAEWGJYYOFAC-LLVKDONJSA-N 0 3 238.350 3.335 20 0 BGADHN C[C@@H](CN(C)Cc1cccc(F)n1)C(C)(C)C ZINC000880075581 590918308 /nfs/dbraw/zinc/91/83/08/590918308.db2.gz DBOAEWGJYYOFAC-NSHDSACASA-N 0 3 238.350 3.335 20 0 BGADHN Cc1oncc1CN(C)C[C@H](C)C(C)(C)C ZINC000880075784 590918347 /nfs/dbraw/zinc/91/83/47/590918347.db2.gz HEPMZJLVZHVPJH-JTQLQIEISA-N 0 3 224.348 3.097 20 0 BGADHN Cc1oncc1CN(C)C[C@@H](C)C(C)(C)C ZINC000880075786 590918643 /nfs/dbraw/zinc/91/86/43/590918643.db2.gz HEPMZJLVZHVPJH-SNVBAGLBSA-N 0 3 224.348 3.097 20 0 BGADHN CCC1(CC)CCCN1Cc1nocc1C ZINC000880093628 590922789 /nfs/dbraw/zinc/92/27/89/590922789.db2.gz DOTLRJBRCDYWKM-UHFFFAOYSA-N 0 3 222.332 3.138 20 0 BGADHN CCC1(CC)CCCN1Cc1cc(C)on1 ZINC000880093758 590922889 /nfs/dbraw/zinc/92/28/89/590922889.db2.gz JAOGDNQEOOZAOX-UHFFFAOYSA-N 0 3 222.332 3.138 20 0 BGADHN CCC1(CC)CCCN1Cc1ccnc(F)c1 ZINC000880093772 590923174 /nfs/dbraw/zinc/92/31/74/590923174.db2.gz JSIOLKMHAMISRK-UHFFFAOYSA-N 0 3 236.334 3.375 20 0 BGADHN CCC1(CC)CCCN1Cc1ncc(C)o1 ZINC000880093986 590925349 /nfs/dbraw/zinc/92/53/49/590925349.db2.gz RQKYXYBCMSZWQT-UHFFFAOYSA-N 0 3 222.332 3.138 20 0 BGADHN CCC1(CC)CCCN1Cc1ccncc1F ZINC000880093995 590924924 /nfs/dbraw/zinc/92/49/24/590924924.db2.gz RYEGWXGORUMBIJ-UHFFFAOYSA-N 0 3 236.334 3.375 20 0 BGADHN CCCC1(CCC)CCCN1Cc1ncccn1 ZINC000880094000 590925381 /nfs/dbraw/zinc/92/53/81/590925381.db2.gz SIEWGLOOTRBPTC-UHFFFAOYSA-N 0 3 247.386 3.411 20 0 BGADHN CCC1(CC)CCCN1Cc1snnc1C ZINC000880094019 590925186 /nfs/dbraw/zinc/92/51/86/590925186.db2.gz SXUDTOXSSPNSLT-UHFFFAOYSA-N 0 3 239.388 3.001 20 0 BGADHN CCC1(CC)CCCN1Cc1cccc(F)n1 ZINC000880094037 590925016 /nfs/dbraw/zinc/92/50/16/590925016.db2.gz UHCVXMAOEOBVQW-UHFFFAOYSA-N 0 3 236.334 3.375 20 0 BGADHN CCC1(CC)CCCN1Cc1nccs1 ZINC000880094573 590925512 /nfs/dbraw/zinc/92/55/12/590925512.db2.gz LZAKOOURJCRYOO-UHFFFAOYSA-N 0 3 224.373 3.298 20 0 BGADHN CCC1(CC)CCCN1Cc1ccc(F)cn1 ZINC000880094980 590924856 /nfs/dbraw/zinc/92/48/56/590924856.db2.gz UHRHJDDKIZTXJA-UHFFFAOYSA-N 0 3 236.334 3.375 20 0 BGADHN CCC1(CC)CCCN1Cc1cncc(F)c1 ZINC000880095107 590924835 /nfs/dbraw/zinc/92/48/35/590924835.db2.gz VZPYJIMURMXUHJ-UHFFFAOYSA-N 0 3 236.334 3.375 20 0 BGADHN CCc1cnc(CN2CCCC2(CC)CC)o1 ZINC000880095793 590924820 /nfs/dbraw/zinc/92/48/20/590924820.db2.gz PCPVALJEQYXVBP-UHFFFAOYSA-N 0 3 236.359 3.392 20 0 BGADHN CCC1(CC)CCCN1Cc1cscn1 ZINC000880096301 590925440 /nfs/dbraw/zinc/92/54/40/590925440.db2.gz HBTBLDJWAWAJEY-UHFFFAOYSA-N 0 3 224.373 3.298 20 0 BGADHN CCC1(CC)CCCN1Cc1nc(C)c(C)o1 ZINC000880096374 590924764 /nfs/dbraw/zinc/92/47/64/590924764.db2.gz JDPLOJRPUGBNMX-UHFFFAOYSA-N 0 3 236.359 3.446 20 0 BGADHN Cc1nccnc1[C@H](C)N[C@H]1C=CCCCCC1 ZINC000880108857 590927632 /nfs/dbraw/zinc/92/76/32/590927632.db2.gz KGPDLWCABADFBK-KBPBESRZSA-N 0 3 245.370 3.325 20 0 BGADHN Cc1nccnc1[C@@H](C)N[C@H]1C=CCCCCC1 ZINC000880108858 590927693 /nfs/dbraw/zinc/92/76/93/590927693.db2.gz KGPDLWCABADFBK-KGLIPLIRSA-N 0 3 245.370 3.325 20 0 BGADHN Cc1nccnc1[C@H](C)N[C@@H]1C=CCCCCC1 ZINC000880108859 590927960 /nfs/dbraw/zinc/92/79/60/590927960.db2.gz KGPDLWCABADFBK-UONOGXRCSA-N 0 3 245.370 3.325 20 0 BGADHN Cc1nccnc1[C@@H](C)N[C@@H]1C=CCCCCC1 ZINC000880108860 590927021 /nfs/dbraw/zinc/92/70/21/590927021.db2.gz KGPDLWCABADFBK-ZIAGYGMSSA-N 0 3 245.370 3.325 20 0 BGADHN CC(=O)CN(C)C1(Cc2ccccc2)CCCC1 ZINC000880121207 590928902 /nfs/dbraw/zinc/92/89/02/590928902.db2.gz MPBVXXUAFVOPSO-UHFFFAOYSA-N 0 3 245.366 3.063 20 0 BGADHN FC[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000880230049 590961731 /nfs/dbraw/zinc/96/17/31/590961731.db2.gz HJZNEPUNKUOYTM-GFCCVEGCSA-N 0 3 225.282 3.007 20 0 BGADHN FC[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000880230050 590961807 /nfs/dbraw/zinc/96/18/07/590961807.db2.gz HJZNEPUNKUOYTM-LBPRGKRZSA-N 0 3 225.282 3.007 20 0 BGADHN FC[C@H]1CCCN(Cc2ccccc2F)C1 ZINC000880231299 590963309 /nfs/dbraw/zinc/96/33/09/590963309.db2.gz XVNJLBOLFMXDDZ-LLVKDONJSA-N 0 3 225.282 3.007 20 0 BGADHN FC[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC000880231300 590962452 /nfs/dbraw/zinc/96/24/52/590962452.db2.gz XVNJLBOLFMXDDZ-NSHDSACASA-N 0 3 225.282 3.007 20 0 BGADHN FC[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000880234619 590964476 /nfs/dbraw/zinc/96/44/76/590964476.db2.gz JWVOXSWYNIRAKS-GFCCVEGCSA-N 0 3 225.282 3.007 20 0 BGADHN FC[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000880234620 590964515 /nfs/dbraw/zinc/96/45/15/590964515.db2.gz JWVOXSWYNIRAKS-LBPRGKRZSA-N 0 3 225.282 3.007 20 0 BGADHN FC[C@H]1CCCN(CCc2ccccc2F)C1 ZINC000880236701 590966261 /nfs/dbraw/zinc/96/62/61/590966261.db2.gz FZZCCBAZWMHQKP-GFCCVEGCSA-N 0 3 239.309 3.050 20 0 BGADHN FC[C@@H]1CCCN(CCc2ccccc2F)C1 ZINC000880236702 590965990 /nfs/dbraw/zinc/96/59/90/590965990.db2.gz FZZCCBAZWMHQKP-LBPRGKRZSA-N 0 3 239.309 3.050 20 0 BGADHN FC[C@@H]1CCCN(CCCCC(F)(F)F)C1 ZINC000880237483 590968025 /nfs/dbraw/zinc/96/80/25/590968025.db2.gz WXXBYRWRNGAYBL-JTQLQIEISA-N 0 3 241.272 3.401 20 0 BGADHN FC[C@H]1CCCN(CCCCC(F)(F)F)C1 ZINC000880237484 590968318 /nfs/dbraw/zinc/96/83/18/590968318.db2.gz WXXBYRWRNGAYBL-SNVBAGLBSA-N 0 3 241.272 3.401 20 0 BGADHN Cc1cc(CN2CCC[C@H](CF)C2)cs1 ZINC000880237827 590970351 /nfs/dbraw/zinc/97/03/51/590970351.db2.gz IFYVFDPODCRYEF-LLVKDONJSA-N 0 3 227.348 3.238 20 0 BGADHN Cc1cc(CN2CCC[C@@H](CF)C2)cs1 ZINC000880237828 590969120 /nfs/dbraw/zinc/96/91/20/590969120.db2.gz IFYVFDPODCRYEF-NSHDSACASA-N 0 3 227.348 3.238 20 0 BGADHN FC1CCN(CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000880238211 590970082 /nfs/dbraw/zinc/97/00/82/590970082.db2.gz AZEQTWIXKPAZHT-MRVPVSSYSA-N 0 3 240.149 3.004 20 0 BGADHN FC1CCN(CC[C@H]2CC2(Cl)Cl)CC1 ZINC000880238212 590970357 /nfs/dbraw/zinc/97/03/57/590970357.db2.gz AZEQTWIXKPAZHT-QMMMGPOBSA-N 0 3 240.149 3.004 20 0 BGADHN CSc1cccc(CN2CCC(F)CC2)c1 ZINC000880238832 590970922 /nfs/dbraw/zinc/97/09/22/590970922.db2.gz MNGQWZKPAJQVPN-UHFFFAOYSA-N 0 3 239.359 3.342 20 0 BGADHN CC(C)(C)SCCCN1CCC(F)CC1 ZINC000880239012 590971877 /nfs/dbraw/zinc/97/18/77/590971877.db2.gz QYWIHSQZOBTCMW-UHFFFAOYSA-N 0 3 233.396 3.342 20 0 BGADHN FC1CCN(Cc2cccc3ncccc23)CC1 ZINC000880239296 590972508 /nfs/dbraw/zinc/97/25/08/590972508.db2.gz YMHQTHQCLNQKCC-UHFFFAOYSA-N 0 3 244.313 3.169 20 0 BGADHN C[C@]1(CN2CCC(F)CC2)CC1(Cl)Cl ZINC000880239412 590972934 /nfs/dbraw/zinc/97/29/34/590972934.db2.gz HTMIRLQWDXTSQZ-SECBINFHSA-N 0 3 240.149 3.004 20 0 BGADHN C[C@@]1(CN2CCC(F)CC2)CC1(Cl)Cl ZINC000880239413 590972542 /nfs/dbraw/zinc/97/25/42/590972542.db2.gz HTMIRLQWDXTSQZ-VIFPVBQESA-N 0 3 240.149 3.004 20 0 BGADHN FC1CCN(CCCCC(F)(F)F)CC1 ZINC000880239644 590972605 /nfs/dbraw/zinc/97/26/05/590972605.db2.gz AXJCZJNJMNJFKU-UHFFFAOYSA-N 0 3 227.245 3.153 20 0 BGADHN Cc1ccc(F)cc1CN1CCC(F)CC1 ZINC000880239703 590972548 /nfs/dbraw/zinc/97/25/48/590972548.db2.gz DOTAZFBZSZVVIW-UHFFFAOYSA-N 0 3 225.282 3.068 20 0 BGADHN FC1CCN(Cc2cnc3ccccc3c2)CC1 ZINC000880239816 590972872 /nfs/dbraw/zinc/97/28/72/590972872.db2.gz SALCHKZEQSGCGO-UHFFFAOYSA-N 0 3 244.313 3.169 20 0 BGADHN Cc1cc(CN2CCC(F)CC2)c(C)s1 ZINC000880239865 590972381 /nfs/dbraw/zinc/97/23/81/590972381.db2.gz HOYWCLHBWSRBCM-UHFFFAOYSA-N 0 3 227.348 3.299 20 0 BGADHN FC1CCN(Cc2ccc3ncccc3c2)CC1 ZINC000880240056 590974158 /nfs/dbraw/zinc/97/41/58/590974158.db2.gz LDWRFHASCKJDQF-UHFFFAOYSA-N 0 3 244.313 3.169 20 0 BGADHN Cc1cc(F)ccc1CN1CCC(F)CC1 ZINC000880240169 590974437 /nfs/dbraw/zinc/97/44/37/590974437.db2.gz OECBJVVYXWXYFO-UHFFFAOYSA-N 0 3 225.282 3.068 20 0 BGADHN FC1CCN(CCCc2ccsc2)CC1 ZINC000880240251 590974503 /nfs/dbraw/zinc/97/45/03/590974503.db2.gz RLMJLHXEBSAAFH-UHFFFAOYSA-N 0 3 227.348 3.115 20 0 BGADHN CSc1ccccc1CN1CCC(F)CC1 ZINC000880240287 635920070 /nfs/dbraw/zinc/92/00/70/635920070.db2.gz SRSATPDAMSMTFI-UHFFFAOYSA-N 0 3 239.359 3.342 20 0 BGADHN FC1CCN(Cc2cncc3ccccc32)CC1 ZINC000880240299 590973467 /nfs/dbraw/zinc/97/34/67/590973467.db2.gz UACAGZGNPNPOMQ-UHFFFAOYSA-N 0 3 244.313 3.169 20 0 BGADHN FCc1ccc(CN2CCC(F)CC2)cc1 ZINC000880240326 590974564 /nfs/dbraw/zinc/97/45/64/590974564.db2.gz VJHBAVNRNPFSJG-UHFFFAOYSA-N 0 3 225.282 3.090 20 0 BGADHN FC1CCN(Cc2cccc3cccnc32)CC1 ZINC000880240347 590974367 /nfs/dbraw/zinc/97/43/67/590974367.db2.gz WGGWIDRTSFGURT-UHFFFAOYSA-N 0 3 244.313 3.169 20 0 BGADHN FC1CCN(Cc2cc3ccccc3o2)CC1 ZINC000880241205 590974933 /nfs/dbraw/zinc/97/49/33/590974933.db2.gz GSHJIDKZJUCAGR-UHFFFAOYSA-N 0 3 233.286 3.367 20 0 BGADHN FC1CCN(CCSc2ccccc2)CC1 ZINC000880241347 590975187 /nfs/dbraw/zinc/97/51/87/590975187.db2.gz ABSDLCSAENWEPG-UHFFFAOYSA-N 0 3 239.359 3.213 20 0 BGADHN Fc1ccc2c(c1)[C@@H](N1CCC(F)CC1)CC2 ZINC000880241670 590975791 /nfs/dbraw/zinc/97/57/91/590975791.db2.gz GILDJMCHXALLOL-AWEZNQCLSA-N 0 3 237.293 3.247 20 0 BGADHN Fc1ccc2c(c1)[C@H](N1CCC(F)CC1)CC2 ZINC000880241671 590975823 /nfs/dbraw/zinc/97/58/23/590975823.db2.gz GILDJMCHXALLOL-CQSZACIVSA-N 0 3 237.293 3.247 20 0 BGADHN C[C@@H](c1cccc(F)c1)N1CCC(F)CC1 ZINC000880242390 590974880 /nfs/dbraw/zinc/97/48/80/590974880.db2.gz XQJXOFZUDOUSEE-JTQLQIEISA-N 0 3 225.282 3.321 20 0 BGADHN C[C@H](c1cccc(F)c1)N1CCC(F)CC1 ZINC000880242391 590975885 /nfs/dbraw/zinc/97/58/85/590975885.db2.gz XQJXOFZUDOUSEE-SNVBAGLBSA-N 0 3 225.282 3.321 20 0 BGADHN C[C@@H](c1ccccc1F)N1CCC(F)CC1 ZINC000880242626 590975204 /nfs/dbraw/zinc/97/52/04/590975204.db2.gz FZHQITWBLGXRFV-JTQLQIEISA-N 0 3 225.282 3.321 20 0 BGADHN C[C@H](c1ccccc1F)N1CCC(F)CC1 ZINC000880242627 590975268 /nfs/dbraw/zinc/97/52/68/590975268.db2.gz FZHQITWBLGXRFV-SNVBAGLBSA-N 0 3 225.282 3.321 20 0 BGADHN C[C@@H](c1ccc(F)cc1)N1CCC(F)CC1 ZINC000880242719 590975640 /nfs/dbraw/zinc/97/56/40/590975640.db2.gz IYJUYUPNRSHWIR-JTQLQIEISA-N 0 3 225.282 3.321 20 0 BGADHN C[C@H](c1ccc(F)cc1)N1CCC(F)CC1 ZINC000880242720 590975085 /nfs/dbraw/zinc/97/50/85/590975085.db2.gz IYJUYUPNRSHWIR-SNVBAGLBSA-N 0 3 225.282 3.321 20 0 BGADHN CCOc1ccc(CN2CCC(F)CC2)cc1 ZINC000880242721 590975183 /nfs/dbraw/zinc/97/51/83/590975183.db2.gz JEORQVCVQFJTPD-UHFFFAOYSA-N 0 3 237.318 3.019 20 0 BGADHN CSc1ccc(CN2CCC(F)CC2)cc1 ZINC000880243238 590977099 /nfs/dbraw/zinc/97/70/99/590977099.db2.gz GBWLYEWBVXYNEE-UHFFFAOYSA-N 0 3 239.359 3.342 20 0 BGADHN CCOc1ccccc1CN1CCC(F)CC1 ZINC000880243408 590976159 /nfs/dbraw/zinc/97/61/59/590976159.db2.gz HRQSBZRQSLTJBU-UHFFFAOYSA-N 0 3 237.318 3.019 20 0 BGADHN FC1CCN(C/C=C\c2ccccc2)CC1 ZINC000880243771 590976333 /nfs/dbraw/zinc/97/63/33/590976333.db2.gz UQVGVBRCSYNCIY-DAXSKMNVSA-N 0 3 219.303 3.134 20 0 BGADHN FC1CCN(C/C=C/c2ccccc2)CC1 ZINC000880243772 590976059 /nfs/dbraw/zinc/97/60/59/590976059.db2.gz UQVGVBRCSYNCIY-QPJJXVBHSA-N 0 3 219.303 3.134 20 0 BGADHN FC[C@@H]1CCN(Cc2ccccc2Cl)C1 ZINC000880291092 590986438 /nfs/dbraw/zinc/98/64/38/590986438.db2.gz IMWLOLMFEFWDNW-JTQLQIEISA-N 0 3 227.710 3.131 20 0 BGADHN FC[C@H]1CCN(Cc2ccccc2Cl)C1 ZINC000880291100 590985825 /nfs/dbraw/zinc/98/58/25/590985825.db2.gz IMWLOLMFEFWDNW-SNVBAGLBSA-N 0 3 227.710 3.131 20 0 BGADHN C[C@H](c1ccc(F)cc1)N1CC[C@H](CF)C1 ZINC000880291255 583522593 /nfs/dbraw/zinc/52/25/93/583522593.db2.gz DFXBANZJNCKJSI-GHMZBOCLSA-N 0 3 225.282 3.178 20 0 BGADHN C[C@H](c1ccc(F)cc1)N1CC[C@@H](CF)C1 ZINC000880291258 583523035 /nfs/dbraw/zinc/52/30/35/583523035.db2.gz DFXBANZJNCKJSI-MNOVXSKESA-N 0 3 225.282 3.178 20 0 BGADHN C[C@@H](c1ccc(F)cc1)N1CC[C@@H](CF)C1 ZINC000880291263 583522870 /nfs/dbraw/zinc/52/28/70/583522870.db2.gz DFXBANZJNCKJSI-QWRGUYRKSA-N 0 3 225.282 3.178 20 0 BGADHN C[C@@H](c1ccc(F)cc1)N1CC[C@H](CF)C1 ZINC000880291264 583523096 /nfs/dbraw/zinc/52/30/96/583523096.db2.gz DFXBANZJNCKJSI-WDEREUQCSA-N 0 3 225.282 3.178 20 0 BGADHN CSc1ccc(CN2CC[C@H](CF)C2)cc1 ZINC000880292193 590985214 /nfs/dbraw/zinc/98/52/14/590985214.db2.gz NHQKRZGWDQQPEQ-GFCCVEGCSA-N 0 3 239.359 3.200 20 0 BGADHN CSc1ccc(CN2CC[C@@H](CF)C2)cc1 ZINC000880292194 590986139 /nfs/dbraw/zinc/98/61/39/590986139.db2.gz NHQKRZGWDQQPEQ-LBPRGKRZSA-N 0 3 239.359 3.200 20 0 BGADHN FC[C@H]1CCN(Cc2cccc(Cl)c2)C1 ZINC000880292279 590986355 /nfs/dbraw/zinc/98/63/55/590986355.db2.gz XDIWUUHEBRHYJW-LLVKDONJSA-N 0 3 227.710 3.131 20 0 BGADHN FC[C@@H]1CCN(Cc2cccc(Cl)c2)C1 ZINC000880292280 590986280 /nfs/dbraw/zinc/98/62/80/590986280.db2.gz XDIWUUHEBRHYJW-NSHDSACASA-N 0 3 227.710 3.131 20 0 BGADHN FC[C@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC000880292881 590982453 /nfs/dbraw/zinc/98/24/53/590982453.db2.gz XRJYEQMOCZVGQW-LLVKDONJSA-N 0 3 227.710 3.131 20 0 BGADHN FC[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC000880292883 590982483 /nfs/dbraw/zinc/98/24/83/590982483.db2.gz XRJYEQMOCZVGQW-NSHDSACASA-N 0 3 227.710 3.131 20 0 BGADHN FC[C@H]1CCN(CCc2ccccc2Cl)C1 ZINC000880293015 590986859 /nfs/dbraw/zinc/98/68/59/590986859.db2.gz CCBXCQMZMRXQSW-LLVKDONJSA-N 0 3 241.737 3.174 20 0 BGADHN FC[C@@H]1CCN(CCc2ccccc2Cl)C1 ZINC000880293017 590986968 /nfs/dbraw/zinc/98/69/68/590986968.db2.gz CCBXCQMZMRXQSW-NSHDSACASA-N 0 3 241.737 3.174 20 0 BGADHN C[C@H](c1ccc(F)c(F)c1)N1CC[C@H](CF)C1 ZINC000880293450 590987503 /nfs/dbraw/zinc/98/75/03/590987503.db2.gz KZMBNADMZIWORL-NXEZZACHSA-N 0 3 243.272 3.317 20 0 BGADHN C[C@@H](c1ccc(F)c(F)c1)N1CC[C@@H](CF)C1 ZINC000880293451 590987643 /nfs/dbraw/zinc/98/76/43/590987643.db2.gz KZMBNADMZIWORL-UWVGGRQHSA-N 0 3 243.272 3.317 20 0 BGADHN C[C@@H](c1ccc(F)c(F)c1)N1CC[C@H](CF)C1 ZINC000880293452 590987241 /nfs/dbraw/zinc/98/72/41/590987241.db2.gz KZMBNADMZIWORL-VHSXEESVSA-N 0 3 243.272 3.317 20 0 BGADHN C[C@H](c1ccc(F)c(F)c1)N1CC[C@@H](CF)C1 ZINC000880293453 590987874 /nfs/dbraw/zinc/98/78/74/590987874.db2.gz KZMBNADMZIWORL-ZJUUUORDSA-N 0 3 243.272 3.317 20 0 BGADHN FC[C@@H]1CCN([C@H]2CCc3ccc(F)cc32)C1 ZINC000880294400 590989005 /nfs/dbraw/zinc/98/90/05/590989005.db2.gz VXCAOXAIAQEOPN-HZMBPMFUSA-N 0 3 237.293 3.104 20 0 BGADHN FC[C@@H]1CCN([C@@H]2CCc3ccc(F)cc32)C1 ZINC000880294401 590989701 /nfs/dbraw/zinc/98/97/01/590989701.db2.gz VXCAOXAIAQEOPN-IINYFYTJSA-N 0 3 237.293 3.104 20 0 BGADHN FC[C@H]1CCN([C@@H]2CCc3ccc(F)cc32)C1 ZINC000880294402 590988237 /nfs/dbraw/zinc/98/82/37/590988237.db2.gz VXCAOXAIAQEOPN-QMTHXVAHSA-N 0 3 237.293 3.104 20 0 BGADHN FC[C@H]1CCN([C@H]2CCc3ccc(F)cc32)C1 ZINC000880294403 590988989 /nfs/dbraw/zinc/98/89/89/590988989.db2.gz VXCAOXAIAQEOPN-YGRLFVJLSA-N 0 3 237.293 3.104 20 0 BGADHN C[C@H](c1ccccc1F)N1CC[C@H](CF)C1 ZINC000880295083 590989818 /nfs/dbraw/zinc/98/98/18/590989818.db2.gz ILPMPYVIBDEBPI-GHMZBOCLSA-N 0 3 225.282 3.178 20 0 BGADHN C[C@H](c1ccccc1F)N1CC[C@@H](CF)C1 ZINC000880295086 590989869 /nfs/dbraw/zinc/98/98/69/590989869.db2.gz ILPMPYVIBDEBPI-MNOVXSKESA-N 0 3 225.282 3.178 20 0 BGADHN C[C@@H](c1ccccc1F)N1CC[C@@H](CF)C1 ZINC000880295088 590989473 /nfs/dbraw/zinc/98/94/73/590989473.db2.gz ILPMPYVIBDEBPI-QWRGUYRKSA-N 0 3 225.282 3.178 20 0 BGADHN C[C@@H](c1ccccc1F)N1CC[C@H](CF)C1 ZINC000880295089 590989259 /nfs/dbraw/zinc/98/92/59/590989259.db2.gz ILPMPYVIBDEBPI-WDEREUQCSA-N 0 3 225.282 3.178 20 0 BGADHN FC[C@H]1CCN(Cc2cc3ccccc3o2)C1 ZINC000880295600 590991535 /nfs/dbraw/zinc/99/15/35/590991535.db2.gz VGRDJJPGFPVNRR-LLVKDONJSA-N 0 3 233.286 3.224 20 0 BGADHN FC[C@@H]1CCN(Cc2cc3ccccc3o2)C1 ZINC000880295601 590991580 /nfs/dbraw/zinc/99/15/80/590991580.db2.gz VGRDJJPGFPVNRR-NSHDSACASA-N 0 3 233.286 3.224 20 0 BGADHN C[C@H](c1cccc(F)c1)N1CC[C@H](CF)C1 ZINC000880296177 590990658 /nfs/dbraw/zinc/99/06/58/590990658.db2.gz WMYIGKGSJVTFMB-GHMZBOCLSA-N 0 3 225.282 3.178 20 0 BGADHN C[C@H](c1cccc(F)c1)N1CC[C@@H](CF)C1 ZINC000880296178 590990216 /nfs/dbraw/zinc/99/02/16/590990216.db2.gz WMYIGKGSJVTFMB-MNOVXSKESA-N 0 3 225.282 3.178 20 0 BGADHN C[C@@H](c1cccc(F)c1)N1CC[C@@H](CF)C1 ZINC000880296179 590991346 /nfs/dbraw/zinc/99/13/46/590991346.db2.gz WMYIGKGSJVTFMB-QWRGUYRKSA-N 0 3 225.282 3.178 20 0 BGADHN C[C@@H](c1cccc(F)c1)N1CC[C@H](CF)C1 ZINC000880296180 590990157 /nfs/dbraw/zinc/99/01/57/590990157.db2.gz WMYIGKGSJVTFMB-WDEREUQCSA-N 0 3 225.282 3.178 20 0 BGADHN FC[C@H]1CCN(CCCCC(F)(F)F)C1 ZINC000880297370 590990767 /nfs/dbraw/zinc/99/07/67/590990767.db2.gz NIQXQMKLCJMIOW-SECBINFHSA-N 0 3 227.245 3.010 20 0 BGADHN FC[C@@H]1CCN(CCCCC(F)(F)F)C1 ZINC000880297371 590991492 /nfs/dbraw/zinc/99/14/92/590991492.db2.gz NIQXQMKLCJMIOW-VIFPVBQESA-N 0 3 227.245 3.010 20 0 BGADHN FC[C@H]1CCN(Cc2cnc3ccccc3c2)C1 ZINC000880298842 590992557 /nfs/dbraw/zinc/99/25/57/590992557.db2.gz KRTUZVHJXPKUHV-GFCCVEGCSA-N 0 3 244.313 3.026 20 0 BGADHN FC[C@@H]1CCN(Cc2cnc3ccccc3c2)C1 ZINC000880298843 590992914 /nfs/dbraw/zinc/99/29/14/590992914.db2.gz KRTUZVHJXPKUHV-LBPRGKRZSA-N 0 3 244.313 3.026 20 0 BGADHN CSc1ccccc1CN1CC[C@H](CF)C1 ZINC000880299220 590994212 /nfs/dbraw/zinc/99/42/12/590994212.db2.gz QGOXRCICXXFCGI-LLVKDONJSA-N 0 3 239.359 3.200 20 0 BGADHN CSc1ccccc1CN1CC[C@@H](CF)C1 ZINC000880299221 590994066 /nfs/dbraw/zinc/99/40/66/590994066.db2.gz QGOXRCICXXFCGI-NSHDSACASA-N 0 3 239.359 3.200 20 0 BGADHN FC[C@H]1CCN(Cc2ccccc2OC2CC2)C1 ZINC000880299346 590994030 /nfs/dbraw/zinc/99/40/30/590994030.db2.gz GNNSEJJCBGUCBY-GFCCVEGCSA-N 0 3 249.329 3.019 20 0 BGADHN FC[C@@H]1CCN(Cc2ccccc2OC2CC2)C1 ZINC000880299347 590994339 /nfs/dbraw/zinc/99/43/39/590994339.db2.gz GNNSEJJCBGUCBY-LBPRGKRZSA-N 0 3 249.329 3.019 20 0 BGADHN FC[C@H]1CCN(Cc2cncc3ccccc32)C1 ZINC000880299890 590995713 /nfs/dbraw/zinc/99/57/13/590995713.db2.gz ZCOLAEGKWYQBNW-GFCCVEGCSA-N 0 3 244.313 3.026 20 0 BGADHN FC[C@@H]1CCN(Cc2cncc3ccccc32)C1 ZINC000880299891 590995266 /nfs/dbraw/zinc/99/52/66/590995266.db2.gz ZCOLAEGKWYQBNW-LBPRGKRZSA-N 0 3 244.313 3.026 20 0 BGADHN FC[C@H]1CCN(Cc2cccc(C(F)F)c2)C1 ZINC000880299905 590995633 /nfs/dbraw/zinc/99/56/33/590995633.db2.gz ZVRSMDQLDVWOOH-LLVKDONJSA-N 0 3 243.272 3.416 20 0 BGADHN FC[C@@H]1CCN(Cc2cccc(C(F)F)c2)C1 ZINC000880299906 583526151 /nfs/dbraw/zinc/52/61/51/583526151.db2.gz ZVRSMDQLDVWOOH-NSHDSACASA-N 0 3 243.272 3.416 20 0 BGADHN CSc1cccc(CN2CC[C@H](CF)C2)c1 ZINC000880299916 583526194 /nfs/dbraw/zinc/52/61/94/583526194.db2.gz LZYZTZFVBJMSQK-GFCCVEGCSA-N 0 3 239.359 3.200 20 0 BGADHN CSc1cccc(CN2CC[C@@H](CF)C2)c1 ZINC000880299917 583526135 /nfs/dbraw/zinc/52/61/35/583526135.db2.gz LZYZTZFVBJMSQK-LBPRGKRZSA-N 0 3 239.359 3.200 20 0 BGADHN c1csc([C@@H]2CCN([C@H]3C=CCCC3)C2)n1 ZINC000880316152 591002858 /nfs/dbraw/zinc/00/28/58/591002858.db2.gz DNYAUCNPOIGXQE-NEPJUHHUSA-N 0 3 234.368 3.041 20 0 BGADHN c1csc([C@H]2CCN([C@@H]3C=CCCC3)C2)n1 ZINC000880316153 591002836 /nfs/dbraw/zinc/00/28/36/591002836.db2.gz DNYAUCNPOIGXQE-NWDGAFQWSA-N 0 3 234.368 3.041 20 0 BGADHN c1csc([C@H]2CCN([C@H]3C=CCCC3)C2)n1 ZINC000880316154 591004387 /nfs/dbraw/zinc/00/43/87/591004387.db2.gz DNYAUCNPOIGXQE-RYUDHWBXSA-N 0 3 234.368 3.041 20 0 BGADHN c1csc([C@@H]2CCN([C@@H]3C=CCCC3)C2)n1 ZINC000880316155 591003478 /nfs/dbraw/zinc/00/34/78/591003478.db2.gz DNYAUCNPOIGXQE-VXGBXAGGSA-N 0 3 234.368 3.041 20 0 BGADHN c1csc([C@@H]2CCN(CC3=CCCC3)C2)n1 ZINC000880321309 591005909 /nfs/dbraw/zinc/00/59/09/591005909.db2.gz REIJVHMIVKRVEY-GFCCVEGCSA-N 0 3 234.368 3.043 20 0 BGADHN c1cnc(C2(NCC3CCCCC3)CCC2)nc1 ZINC000880364766 591010720 /nfs/dbraw/zinc/01/07/20/591010720.db2.gz QEJOJRFWGJULBW-UHFFFAOYSA-N 0 3 245.370 3.026 20 0 BGADHN C[C@H](CNC1(c2ncccn2)CCC1)C(C)(C)C ZINC000880367238 591011637 /nfs/dbraw/zinc/01/16/37/591011637.db2.gz AAFWUZRXEMKMOU-GFCCVEGCSA-N 0 3 247.386 3.128 20 0 BGADHN C[C@@H](CNC1(c2ncccn2)CCC1)C(C)(C)C ZINC000880367241 591012615 /nfs/dbraw/zinc/01/26/15/591012615.db2.gz AAFWUZRXEMKMOU-LBPRGKRZSA-N 0 3 247.386 3.128 20 0 BGADHN C[C@@]1(c2ccccc2)CCCN1Cc1ccno1 ZINC000880370562 591014426 /nfs/dbraw/zinc/01/44/26/591014426.db2.gz NBXZUHFGLVXZGR-HNNXBMFYSA-N 0 3 242.322 3.186 20 0 BGADHN C[C@]1(c2ccccc2)CCCN1Cc1ccno1 ZINC000880370563 591014546 /nfs/dbraw/zinc/01/45/46/591014546.db2.gz NBXZUHFGLVXZGR-OAHLLOKOSA-N 0 3 242.322 3.186 20 0 BGADHN C[C@H]1c2sccc2CCN1CCCCF ZINC000880376704 591016978 /nfs/dbraw/zinc/01/69/78/591016978.db2.gz JENHBAPBVCVAHP-JTQLQIEISA-N 0 3 227.348 3.417 20 0 BGADHN C[C@@H]1c2sccc2CCN1CCCCF ZINC000880376705 591015463 /nfs/dbraw/zinc/01/54/63/591015463.db2.gz JENHBAPBVCVAHP-SNVBAGLBSA-N 0 3 227.348 3.417 20 0 BGADHN C[C@H]1c2sccc2CCN1CCC(=O)C1CC1 ZINC000880376963 591015750 /nfs/dbraw/zinc/01/57/50/591015750.db2.gz MZNFSCSOMOOJIU-JTQLQIEISA-N 0 3 249.379 3.036 20 0 BGADHN C[C@@H]1c2sccc2CCN1CCC(=O)C1CC1 ZINC000880376964 591015021 /nfs/dbraw/zinc/01/50/21/591015021.db2.gz MZNFSCSOMOOJIU-SNVBAGLBSA-N 0 3 249.379 3.036 20 0 BGADHN CC(C)OCCN1CCc2ccsc2[C@H]1C ZINC000880377322 591015594 /nfs/dbraw/zinc/01/55/94/591015594.db2.gz SQHLHRBDUKHDHE-LLVKDONJSA-N 0 3 239.384 3.092 20 0 BGADHN CC(C)OCCN1CCc2ccsc2[C@@H]1C ZINC000880377323 591017124 /nfs/dbraw/zinc/01/71/24/591017124.db2.gz SQHLHRBDUKHDHE-NSHDSACASA-N 0 3 239.384 3.092 20 0 BGADHN CSCCN1CCc2ccsc2[C@H]1C ZINC000880377401 591016948 /nfs/dbraw/zinc/01/69/48/591016948.db2.gz UUEJOWRHVGZXAH-SECBINFHSA-N 0 3 227.398 3.030 20 0 BGADHN CSCCN1CCc2ccsc2[C@@H]1C ZINC000880377402 591015304 /nfs/dbraw/zinc/01/53/04/591015304.db2.gz UUEJOWRHVGZXAH-VIFPVBQESA-N 0 3 227.398 3.030 20 0 BGADHN CC[C@H](CN1CCc2ccsc2[C@@H]1C)OC ZINC000880377524 591016304 /nfs/dbraw/zinc/01/63/04/591016304.db2.gz YESMOTBYYSKJEL-CMPLNLGQSA-N 0 3 239.384 3.092 20 0 BGADHN CC[C@@H](CN1CCc2ccsc2[C@@H]1C)OC ZINC000880377525 591015889 /nfs/dbraw/zinc/01/58/89/591015889.db2.gz YESMOTBYYSKJEL-JQWIXIFHSA-N 0 3 239.384 3.092 20 0 BGADHN CC[C@@H](CN1CCc2ccsc2[C@H]1C)OC ZINC000880377526 591015330 /nfs/dbraw/zinc/01/53/30/591015330.db2.gz YESMOTBYYSKJEL-PWSUYJOCSA-N 0 3 239.384 3.092 20 0 BGADHN CC[C@H](CN1CCc2ccsc2[C@H]1C)OC ZINC000880377527 591016549 /nfs/dbraw/zinc/01/65/49/591016549.db2.gz YESMOTBYYSKJEL-ZYHUDNBSSA-N 0 3 239.384 3.092 20 0 BGADHN CCC(=O)CCN1CCc2ccsc2[C@@H]1C ZINC000880377540 591015207 /nfs/dbraw/zinc/01/52/07/591015207.db2.gz YWLPLMKXXAEFOE-JTQLQIEISA-N 0 3 237.368 3.036 20 0 BGADHN CCC(=O)CCN1CCc2ccsc2[C@H]1C ZINC000880377541 591016324 /nfs/dbraw/zinc/01/63/24/591016324.db2.gz YWLPLMKXXAEFOE-SNVBAGLBSA-N 0 3 237.368 3.036 20 0 BGADHN C[C@@H]1c2sccc2CCN1CCCF ZINC000880377890 591016384 /nfs/dbraw/zinc/01/63/84/591016384.db2.gz IDHDBANUXWXLFL-SECBINFHSA-N 0 3 213.321 3.027 20 0 BGADHN C[C@H]1c2sccc2CCN1CCCF ZINC000880377891 591015263 /nfs/dbraw/zinc/01/52/63/591015263.db2.gz IDHDBANUXWXLFL-VIFPVBQESA-N 0 3 213.321 3.027 20 0 BGADHN CCOCCCN1CCc2ccsc2[C@H]1C ZINC000880377989 591016625 /nfs/dbraw/zinc/01/66/25/591016625.db2.gz KZQOJOAMRLZQJN-LLVKDONJSA-N 0 3 239.384 3.094 20 0 BGADHN CCOCCCN1CCc2ccsc2[C@@H]1C ZINC000880377990 591015551 /nfs/dbraw/zinc/01/55/51/591015551.db2.gz KZQOJOAMRLZQJN-NSHDSACASA-N 0 3 239.384 3.094 20 0 BGADHN CSCCCN1CCc2ccsc2[C@@H]1C ZINC000880378462 591017612 /nfs/dbraw/zinc/01/76/12/591017612.db2.gz UOMSKSCAKIJDOA-JTQLQIEISA-N 0 3 241.425 3.420 20 0 BGADHN CSCCCN1CCc2ccsc2[C@H]1C ZINC000880378463 591018248 /nfs/dbraw/zinc/01/82/48/591018248.db2.gz UOMSKSCAKIJDOA-SNVBAGLBSA-N 0 3 241.425 3.420 20 0 BGADHN C1=C[C@H](N2CCC3(CCCCO3)CC2)CCC1 ZINC000880455158 591049090 /nfs/dbraw/zinc/04/90/90/591049090.db2.gz OFVBKGYZGAFOQE-AWEZNQCLSA-N 0 3 235.371 3.130 20 0 BGADHN C1=C[C@@H](N2CCC3(CCCCO3)CC2)CCC1 ZINC000880455159 591048646 /nfs/dbraw/zinc/04/86/46/591048646.db2.gz OFVBKGYZGAFOQE-CQSZACIVSA-N 0 3 235.371 3.130 20 0 BGADHN CCN(CC=C(C)C)[C@@H](CO)c1ccccc1 ZINC000880459025 591049970 /nfs/dbraw/zinc/04/99/70/591049970.db2.gz ARLJHPCIVOBUMF-HNNXBMFYSA-N 0 3 233.355 3.008 20 0 BGADHN CCN(CC=C(C)C)[C@H](CO)c1ccccc1 ZINC000880459026 591050498 /nfs/dbraw/zinc/05/04/98/591050498.db2.gz ARLJHPCIVOBUMF-OAHLLOKOSA-N 0 3 233.355 3.008 20 0 BGADHN C1=C(CN2CCC3(CCCCO3)CC2)CCC1 ZINC000880459431 591050571 /nfs/dbraw/zinc/05/05/71/591050571.db2.gz UWOFRCSSDWVASU-UHFFFAOYSA-N 0 3 235.371 3.132 20 0 BGADHN Fc1ccccc1CN[C@@H]1CCC[C@]12CCCO2 ZINC000880509660 591081381 /nfs/dbraw/zinc/08/13/81/591081381.db2.gz WTTJBUVGPDKICF-CABCVRRESA-N 0 3 249.329 3.017 20 0 BGADHN CCC(=O)CCN1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000880536817 591086414 /nfs/dbraw/zinc/08/64/14/591086414.db2.gz NXRUTVWHZVIFEU-LRDDRELGSA-N 0 3 243.350 3.290 20 0 BGADHN CCCC[C@@H](CC)CN1CCc2ncncc2C1 ZINC000880596814 591106489 /nfs/dbraw/zinc/10/64/89/591106489.db2.gz BLDWFQRRCIBIDG-CYBMUJFWSA-N 0 3 247.386 3.051 20 0 BGADHN CCCC[C@H](CC)CN1CCc2ncncc2C1 ZINC000880596815 591106047 /nfs/dbraw/zinc/10/60/47/591106047.db2.gz BLDWFQRRCIBIDG-ZDUSSCGKSA-N 0 3 247.386 3.051 20 0 BGADHN CCC[C@@H](C)CCCN1CCc2ncncc2C1 ZINC000880598777 591108484 /nfs/dbraw/zinc/10/84/84/591108484.db2.gz WWJAATWVWASTHV-CYBMUJFWSA-N 0 3 247.386 3.051 20 0 BGADHN CCC[C@H](C)CCCN1CCc2ncncc2C1 ZINC000880598778 591107978 /nfs/dbraw/zinc/10/79/78/591107978.db2.gz WWJAATWVWASTHV-ZDUSSCGKSA-N 0 3 247.386 3.051 20 0 BGADHN CN(C)CCSCC[C@@H]1CCCC1(F)F ZINC000882139343 591304872 /nfs/dbraw/zinc/30/48/72/591304872.db2.gz VHSHKKNTYWCJIJ-JTQLQIEISA-N 0 3 237.359 3.107 20 0 BGADHN CN(C)CCSCC[C@H]1CCCC1(F)F ZINC000882139347 591305079 /nfs/dbraw/zinc/30/50/79/591305079.db2.gz VHSHKKNTYWCJIJ-SNVBAGLBSA-N 0 3 237.359 3.107 20 0 BGADHN FC[C@H]1CCCN(c2ccnc3ccccc32)C1 ZINC000882801593 591443323 /nfs/dbraw/zinc/44/33/23/591443323.db2.gz VRSPDFUEZHXAAE-GFCCVEGCSA-N 0 3 244.313 3.421 20 0 BGADHN FC[C@@H]1CCCN(c2ccnc3ccccc32)C1 ZINC000882801594 591443706 /nfs/dbraw/zinc/44/37/06/591443706.db2.gz VRSPDFUEZHXAAE-LBPRGKRZSA-N 0 3 244.313 3.421 20 0 BGADHN FC1CCN(c2ccnc3ccccc32)CC1 ZINC000882807137 591445940 /nfs/dbraw/zinc/44/59/40/591445940.db2.gz INROWGINRACVIR-UHFFFAOYSA-N 0 3 230.286 3.173 20 0 BGADHN Cc1cc(N2CC[C@H](CF)C2)c2ccccc2n1 ZINC000882841571 591452234 /nfs/dbraw/zinc/45/22/34/591452234.db2.gz ZAORSEZVFLMTPD-GFCCVEGCSA-N 0 3 244.313 3.339 20 0 BGADHN Cc1cc(N2CC[C@@H](CF)C2)c2ccccc2n1 ZINC000882841572 591452284 /nfs/dbraw/zinc/45/22/84/591452284.db2.gz ZAORSEZVFLMTPD-LBPRGKRZSA-N 0 3 244.313 3.339 20 0 BGADHN FC[C@H]1CCN(c2ccnc3ccccc32)C1 ZINC000882842029 591452149 /nfs/dbraw/zinc/45/21/49/591452149.db2.gz LAMBJZNCPVGBHT-LLVKDONJSA-N 0 3 230.286 3.031 20 0 BGADHN FC[C@@H]1CCN(c2ccnc3ccccc32)C1 ZINC000882842030 591451825 /nfs/dbraw/zinc/45/18/25/591451825.db2.gz LAMBJZNCPVGBHT-NSHDSACASA-N 0 3 230.286 3.031 20 0 BGADHN CC(C)c1c[nH]c(CN[C@H]2CCCC[C@H]2C)n1 ZINC000882878247 591460324 /nfs/dbraw/zinc/46/03/24/591460324.db2.gz VVNKARAZVAMRDV-NEPJUHHUSA-N 0 3 235.375 3.201 20 0 BGADHN CC(C)c1c[nH]c(CN[C@@H]2CCCC[C@@H]2C)n1 ZINC000882878248 591460298 /nfs/dbraw/zinc/46/02/98/591460298.db2.gz VVNKARAZVAMRDV-NWDGAFQWSA-N 0 3 235.375 3.201 20 0 BGADHN CC(C)c1c[nH]c(CN[C@H]2CCCC[C@@H]2C)n1 ZINC000882878249 591460855 /nfs/dbraw/zinc/46/08/55/591460855.db2.gz VVNKARAZVAMRDV-RYUDHWBXSA-N 0 3 235.375 3.201 20 0 BGADHN CC(C)c1c[nH]c(CN[C@@H]2CCCC[C@H]2C)n1 ZINC000882878250 591459870 /nfs/dbraw/zinc/45/98/70/591459870.db2.gz VVNKARAZVAMRDV-VXGBXAGGSA-N 0 3 235.375 3.201 20 0 BGADHN CCCCCCNCc1nc(C(C)C)c[nH]1 ZINC000882878553 591460407 /nfs/dbraw/zinc/46/04/07/591460407.db2.gz IUPOANCCLFGEOP-UHFFFAOYSA-N 0 3 223.364 3.203 20 0 BGADHN CC(C)c1c[nH]c(CNCC2CCCCC2)n1 ZINC000882878768 591460750 /nfs/dbraw/zinc/46/07/50/591460750.db2.gz RMECFECECSQSQG-UHFFFAOYSA-N 0 3 235.375 3.203 20 0 BGADHN CC(C)CC[C@@H](C)NCc1nc(C(C)C)c[nH]1 ZINC000882878870 591460064 /nfs/dbraw/zinc/46/00/64/591460064.db2.gz WCVWQPLTUNTZDO-GFCCVEGCSA-N 0 3 237.391 3.447 20 0 BGADHN CC(C)CC[C@H](C)NCc1nc(C(C)C)c[nH]1 ZINC000882878871 591460546 /nfs/dbraw/zinc/46/05/46/591460546.db2.gz WCVWQPLTUNTZDO-LBPRGKRZSA-N 0 3 237.391 3.447 20 0 BGADHN CC(C)c1c[nH]c(CNC2CCCCCC2)n1 ZINC000882878889 591460647 /nfs/dbraw/zinc/46/06/47/591460647.db2.gz XEPZQSGUDOGLDS-UHFFFAOYSA-N 0 3 235.375 3.346 20 0 BGADHN CC(C)CCCNCc1nc(C(C)C)c[nH]1 ZINC000882882521 591461831 /nfs/dbraw/zinc/46/18/31/591461831.db2.gz OOJLFEMVIGAHLC-UHFFFAOYSA-N 0 3 223.364 3.059 20 0 BGADHN CC(C)c1c[nH]c(CNCCC2CCCC2)n1 ZINC000882882671 591462211 /nfs/dbraw/zinc/46/22/11/591462211.db2.gz VSYLWFYMUXEJLI-UHFFFAOYSA-N 0 3 235.375 3.203 20 0 BGADHN CC(C)c1c[nH]c(CN[C@H]2CCC[C@@H](C)C2)n1 ZINC000882883788 591463463 /nfs/dbraw/zinc/46/34/63/591463463.db2.gz LLZVHFNONTTWAJ-NEPJUHHUSA-N 0 3 235.375 3.201 20 0 BGADHN CC(C)c1c[nH]c(CN[C@@H]2CCC[C@H](C)C2)n1 ZINC000882883789 591462961 /nfs/dbraw/zinc/46/29/61/591462961.db2.gz LLZVHFNONTTWAJ-NWDGAFQWSA-N 0 3 235.375 3.201 20 0 BGADHN CC(C)c1c[nH]c(CN[C@H]2CCC[C@H](C)C2)n1 ZINC000882883790 591463020 /nfs/dbraw/zinc/46/30/20/591463020.db2.gz LLZVHFNONTTWAJ-RYUDHWBXSA-N 0 3 235.375 3.201 20 0 BGADHN CC(C)c1c[nH]c(CN[C@@H]2CCC[C@@H](C)C2)n1 ZINC000882883791 591463073 /nfs/dbraw/zinc/46/30/73/591463073.db2.gz LLZVHFNONTTWAJ-VXGBXAGGSA-N 0 3 235.375 3.201 20 0 BGADHN CC(C)c1c[nH]c(CNCCC(C)(C)C)n1 ZINC000882884387 591463609 /nfs/dbraw/zinc/46/36/09/591463609.db2.gz HGFTZGKIMSBWJU-UHFFFAOYSA-N 0 3 223.364 3.059 20 0 BGADHN CC[C@@H](C)[C@@H](C)NCc1nc(C(C)C)c[nH]1 ZINC000882920537 591474640 /nfs/dbraw/zinc/47/46/40/591474640.db2.gz KWWQZKHVKQPYER-GHMZBOCLSA-N 0 3 223.364 3.057 20 0 BGADHN CC[C@@H](C)[C@H](C)NCc1nc(C(C)C)c[nH]1 ZINC000882920538 591474828 /nfs/dbraw/zinc/47/48/28/591474828.db2.gz KWWQZKHVKQPYER-MNOVXSKESA-N 0 3 223.364 3.057 20 0 BGADHN CC[C@H](C)[C@H](C)NCc1nc(C(C)C)c[nH]1 ZINC000882920539 591474896 /nfs/dbraw/zinc/47/48/96/591474896.db2.gz KWWQZKHVKQPYER-QWRGUYRKSA-N 0 3 223.364 3.057 20 0 BGADHN CC[C@H](C)[C@@H](C)NCc1nc(C(C)C)c[nH]1 ZINC000882920540 591474658 /nfs/dbraw/zinc/47/46/58/591474658.db2.gz KWWQZKHVKQPYER-WDEREUQCSA-N 0 3 223.364 3.057 20 0 BGADHN CSc1ccc(CN[C@H](C)C2(C)CC2)o1 ZINC000882936442 591477680 /nfs/dbraw/zinc/47/76/80/591477680.db2.gz UOOXZIHEVRZCFF-SECBINFHSA-N 0 3 225.357 3.280 20 0 BGADHN CSc1ccc(CN[C@@H](C)C2(C)CC2)o1 ZINC000882936443 591474835 /nfs/dbraw/zinc/47/48/35/591474835.db2.gz UOOXZIHEVRZCFF-VIFPVBQESA-N 0 3 225.357 3.280 20 0 BGADHN CCC[C@@H](CC)NCc1nc(C(C)C)c[nH]1 ZINC000882983122 583667395 /nfs/dbraw/zinc/66/73/95/583667395.db2.gz BBRXIRWZNRQICI-LLVKDONJSA-N 0 3 223.364 3.201 20 0 BGADHN CCC[C@H](CC)NCc1nc(C(C)C)c[nH]1 ZINC000882983123 583667472 /nfs/dbraw/zinc/66/74/72/583667472.db2.gz BBRXIRWZNRQICI-NSHDSACASA-N 0 3 223.364 3.201 20 0 BGADHN CCC(CC)CNCc1nc(C(C)C)c[nH]1 ZINC000882988532 591495722 /nfs/dbraw/zinc/49/57/22/591495722.db2.gz UKYPXCBZPKKNKI-UHFFFAOYSA-N 0 3 223.364 3.059 20 0 BGADHN CC(C)c1c[nH]c(CN[C@H]2CC[C@H](C)CC2)n1 ZINC000882989897 591497004 /nfs/dbraw/zinc/49/70/04/591497004.db2.gz MZUJIHBHQWZGHO-HAQNSBGRSA-N 0 3 235.375 3.201 20 0 BGADHN CC(C)c1c[nH]c(CNCC2(C)CCCC2)n1 ZINC000882989901 591495964 /nfs/dbraw/zinc/49/59/64/591495964.db2.gz NCLBHTXWIAHBLM-UHFFFAOYSA-N 0 3 235.375 3.203 20 0 BGADHN CCCC(C)(C)NCc1nc(C(C)C)c[nH]1 ZINC000882991069 591497517 /nfs/dbraw/zinc/49/75/17/591497517.db2.gz LEZBMZKRCYHZHR-UHFFFAOYSA-N 0 3 223.364 3.201 20 0 BGADHN CC(C)c1c[nH]c(CNC(C)(C)C(C)C)n1 ZINC000882991178 591497689 /nfs/dbraw/zinc/49/76/89/591497689.db2.gz OTULWFKTMRUZKS-UHFFFAOYSA-N 0 3 223.364 3.057 20 0 BGADHN CC(C)c1c[nH]c(CN[C@H](C)C2CCCC2)n1 ZINC000882999821 591502870 /nfs/dbraw/zinc/50/28/70/591502870.db2.gz ADOLOUIBANRFRM-LLVKDONJSA-N 0 3 235.375 3.201 20 0 BGADHN CC(C)c1c[nH]c(CN[C@@H](C)C2CCCC2)n1 ZINC000882999822 591502822 /nfs/dbraw/zinc/50/28/22/591502822.db2.gz ADOLOUIBANRFRM-NSHDSACASA-N 0 3 235.375 3.201 20 0 BGADHN CC(C)c1c[nH]c(CNC[C@@H](C)C(C)(C)C)n1 ZINC000883002922 591504489 /nfs/dbraw/zinc/50/44/89/591504489.db2.gz SOGQPSPRKASODA-LLVKDONJSA-N 0 3 237.391 3.305 20 0 BGADHN CC(C)c1c[nH]c(CNC[C@H](C)C(C)(C)C)n1 ZINC000883002923 591504801 /nfs/dbraw/zinc/50/48/01/591504801.db2.gz SOGQPSPRKASODA-NSHDSACASA-N 0 3 237.391 3.305 20 0 BGADHN CCC(C)(CC)NCc1nc(C(C)C)c[nH]1 ZINC000883003724 591506168 /nfs/dbraw/zinc/50/61/68/591506168.db2.gz DRGDUFYNPUVQGW-UHFFFAOYSA-N 0 3 223.364 3.201 20 0 BGADHN CSCC[C@@H](C)NCc1ccc(SC)o1 ZINC000883015154 591514056 /nfs/dbraw/zinc/51/40/56/591514056.db2.gz LCUMYKYGSMTOEN-SECBINFHSA-N 0 3 245.413 3.233 20 0 BGADHN CSCC[C@H](C)NCc1ccc(SC)o1 ZINC000883015155 591513805 /nfs/dbraw/zinc/51/38/05/591513805.db2.gz LCUMYKYGSMTOEN-VIFPVBQESA-N 0 3 245.413 3.233 20 0 BGADHN CC(C)n1ccc(CN[C@@H]2C[C@@H]3CC[C@@H](C3)C2)n1 ZINC000883016144 591515889 /nfs/dbraw/zinc/51/58/89/591515889.db2.gz OWKILNWYXHSJBN-AGGWBTHJSA-N 0 3 247.386 3.132 20 0 BGADHN CC(C)n1ccc(CN[C@H]2C[C@@H]3CC[C@@H](C3)C2)n1 ZINC000883016145 591515446 /nfs/dbraw/zinc/51/54/46/591515446.db2.gz OWKILNWYXHSJBN-NHAGDIPZSA-N 0 3 247.386 3.132 20 0 BGADHN CC(C)c1c[nH]c(CNCCCC(C)(C)C)n1 ZINC000883016235 591515572 /nfs/dbraw/zinc/51/55/72/591515572.db2.gz RMJZJWANGQUDMV-UHFFFAOYSA-N 0 3 237.391 3.449 20 0 BGADHN CC[C@H](C)C[C@H](C)NCc1nc(C(C)C)c[nH]1 ZINC000883019954 591517345 /nfs/dbraw/zinc/51/73/45/591517345.db2.gz KCMSHQPPNOIBAP-RYUDHWBXSA-N 0 3 237.391 3.447 20 0 BGADHN CC[C@@H](C)C[C@@H](C)NCc1nc(C(C)C)c[nH]1 ZINC000883019955 591517368 /nfs/dbraw/zinc/51/73/68/591517368.db2.gz KCMSHQPPNOIBAP-VXGBXAGGSA-N 0 3 237.391 3.447 20 0 BGADHN CC(C)c1c[nH]c(CNCC(C2CC2)C2CC2)n1 ZINC000883021614 591518549 /nfs/dbraw/zinc/51/85/49/591518549.db2.gz BQKNCEKZDHXEIV-UHFFFAOYSA-N 0 3 247.386 3.059 20 0 BGADHN CSc1ccc(CNCC(C)(C)SC)o1 ZINC000883025883 591518284 /nfs/dbraw/zinc/51/82/84/591518284.db2.gz AZNFMLQCDCEAGG-UHFFFAOYSA-N 0 3 245.413 3.233 20 0 BGADHN CC(C)c1c[nH]c(CN[C@@H]2CCCC2(C)C)n1 ZINC000883030208 591520367 /nfs/dbraw/zinc/52/03/67/591520367.db2.gz YTFIYAOCFBJDKR-GFCCVEGCSA-N 0 3 235.375 3.201 20 0 BGADHN CC(C)c1c[nH]c(CN[C@H]2CCCC2(C)C)n1 ZINC000883030209 591519754 /nfs/dbraw/zinc/51/97/54/591519754.db2.gz YTFIYAOCFBJDKR-LBPRGKRZSA-N 0 3 235.375 3.201 20 0 BGADHN CCC1(CNCc2nc(C(C)C)c[nH]2)CCC1 ZINC000883032840 591521575 /nfs/dbraw/zinc/52/15/75/591521575.db2.gz VPKVDMSRCLASCV-UHFFFAOYSA-N 0 3 235.375 3.203 20 0 BGADHN CC(C)c1c[nH]c(CNCC2(C(C)C)CC2)n1 ZINC000883033039 591521720 /nfs/dbraw/zinc/52/17/20/591521720.db2.gz BFCIZNRZPTWOJV-UHFFFAOYSA-N 0 3 235.375 3.059 20 0 BGADHN CSc1ccc(CNCCC2CCC2)o1 ZINC000883037389 591522904 /nfs/dbraw/zinc/52/29/04/591522904.db2.gz VXPLWKUPUKCAFY-UHFFFAOYSA-N 0 3 225.357 3.281 20 0 BGADHN CC(C)CC1(CNCc2nc(C(C)C)c[nH]2)CC1 ZINC000883037928 591523964 /nfs/dbraw/zinc/52/39/64/591523964.db2.gz QAEHDZUNUMLGEB-UHFFFAOYSA-N 0 3 249.402 3.449 20 0 BGADHN CC[C@@H]1CCC[C@@H]1NCc1nc(C(C)C)c[nH]1 ZINC000883038857 591524185 /nfs/dbraw/zinc/52/41/85/591524185.db2.gz VELSBSHIUMZGTI-NEPJUHHUSA-N 0 3 235.375 3.201 20 0 BGADHN CC[C@H]1CCC[C@H]1NCc1nc(C(C)C)c[nH]1 ZINC000883038858 591524345 /nfs/dbraw/zinc/52/43/45/591524345.db2.gz VELSBSHIUMZGTI-NWDGAFQWSA-N 0 3 235.375 3.201 20 0 BGADHN CC[C@H]1CCC[C@@H]1NCc1nc(C(C)C)c[nH]1 ZINC000883038859 591523694 /nfs/dbraw/zinc/52/36/94/591523694.db2.gz VELSBSHIUMZGTI-RYUDHWBXSA-N 0 3 235.375 3.201 20 0 BGADHN CC[C@@H]1CCC[C@H]1NCc1nc(C(C)C)c[nH]1 ZINC000883038860 591523700 /nfs/dbraw/zinc/52/37/00/591523700.db2.gz VELSBSHIUMZGTI-VXGBXAGGSA-N 0 3 235.375 3.201 20 0 BGADHN CCCC1(CNCc2nc(C(C)C)c[nH]2)CC1 ZINC000883041179 583695249 /nfs/dbraw/zinc/69/52/49/583695249.db2.gz DALNJRNRAKKKJE-UHFFFAOYSA-N 0 3 235.375 3.203 20 0 BGADHN CC(C)c1c[nH]c(CN[C@H]2CC3CCC2CC3)n1 ZINC000883049042 591528404 /nfs/dbraw/zinc/52/84/04/591528404.db2.gz BPCHJICKNMHUHQ-BPCQOVAHSA-N 0 3 247.386 3.201 20 0 BGADHN CC(C)c1c[nH]c(CN[C@@H]2CC3CCC2CC3)n1 ZINC000883049043 591528630 /nfs/dbraw/zinc/52/86/30/591528630.db2.gz BPCHJICKNMHUHQ-WXRRBKDZSA-N 0 3 247.386 3.201 20 0 BGADHN CC(C)c1c[nH]c(CNC(C(C)C)C(C)C)n1 ZINC000883050876 591529522 /nfs/dbraw/zinc/52/95/22/591529522.db2.gz DHFRYELOPMWJEG-UHFFFAOYSA-N 0 3 237.391 3.303 20 0 BGADHN CC(C)c1c[nH]c(CNCC2(C3CC3)CCC2)n1 ZINC000883074062 591536164 /nfs/dbraw/zinc/53/61/64/591536164.db2.gz LIUNLIQMQKSJHQ-UHFFFAOYSA-N 0 3 247.386 3.203 20 0 BGADHN CC(C)C[C@@H](C)NCc1nc(C(C)C)c[nH]1 ZINC000883074320 591535765 /nfs/dbraw/zinc/53/57/65/591535765.db2.gz TVNAPJLXFFOEHH-LLVKDONJSA-N 0 3 223.364 3.057 20 0 BGADHN CC(C)C[C@H](C)NCc1nc(C(C)C)c[nH]1 ZINC000883074321 591536268 /nfs/dbraw/zinc/53/62/68/591536268.db2.gz TVNAPJLXFFOEHH-NSHDSACASA-N 0 3 223.364 3.057 20 0 BGADHN CC(C)c1c[nH]c(CNCCC2=CCCC2)n1 ZINC000883074751 591535327 /nfs/dbraw/zinc/53/53/27/591535327.db2.gz HSQICYBKVDGQRA-UHFFFAOYSA-N 0 3 233.359 3.123 20 0 BGADHN CC(C)c1c[nH]c(CNCC23CCC(CC2)C3)n1 ZINC000883077012 591535551 /nfs/dbraw/zinc/53/55/51/591535551.db2.gz VNLSMDUCQDMKOA-UHFFFAOYSA-N 0 3 247.386 3.203 20 0 BGADHN CC(C)c1c[nH]c(CN[C@@H]2CCC(C)(C)C2)n1 ZINC000883081175 591536578 /nfs/dbraw/zinc/53/65/78/591536578.db2.gz VXHJIXLSGCEUPD-LLVKDONJSA-N 0 3 235.375 3.201 20 0 BGADHN CC(C)c1c[nH]c(CN[C@H]2CCC(C)(C)C2)n1 ZINC000883081176 591537341 /nfs/dbraw/zinc/53/73/41/591537341.db2.gz VXHJIXLSGCEUPD-NSHDSACASA-N 0 3 235.375 3.201 20 0 BGADHN CSc1ccc(CNC23CCC(CC2)C3)o1 ZINC000883086868 591537042 /nfs/dbraw/zinc/53/70/42/591537042.db2.gz GYWGGQHICKCCFW-UHFFFAOYSA-N 0 3 237.368 3.424 20 0 BGADHN CC(C)c1c[nH]c(CN[C@H](C)CCC2CC2)n1 ZINC000883089900 591538489 /nfs/dbraw/zinc/53/84/89/591538489.db2.gz WTZBFGFOFKCKMO-LLVKDONJSA-N 0 3 235.375 3.201 20 0 BGADHN CC(C)c1c[nH]c(CN[C@@H](C)CCC2CC2)n1 ZINC000883089901 591538685 /nfs/dbraw/zinc/53/86/85/591538685.db2.gz WTZBFGFOFKCKMO-NSHDSACASA-N 0 3 235.375 3.201 20 0 BGADHN CSc1ccc(CN[C@@H]2CC[C@@H](C)C2)o1 ZINC000883098176 591539549 /nfs/dbraw/zinc/53/95/49/591539549.db2.gz DWYKAWWVDIIBRI-NXEZZACHSA-N 0 3 225.357 3.280 20 0 BGADHN CSc1ccc(CN[C@H]2CC[C@H](C)C2)o1 ZINC000883098177 591539747 /nfs/dbraw/zinc/53/97/47/591539747.db2.gz DWYKAWWVDIIBRI-UWVGGRQHSA-N 0 3 225.357 3.280 20 0 BGADHN CSc1ccc(CN[C@@H]2CC[C@H](C)C2)o1 ZINC000883098178 591539179 /nfs/dbraw/zinc/53/91/79/591539179.db2.gz DWYKAWWVDIIBRI-VHSXEESVSA-N 0 3 225.357 3.280 20 0 BGADHN CSc1ccc(CN[C@H]2CC[C@@H](C)C2)o1 ZINC000883098179 591539618 /nfs/dbraw/zinc/53/96/18/591539618.db2.gz DWYKAWWVDIIBRI-ZJUUUORDSA-N 0 3 225.357 3.280 20 0 BGADHN CC(C)c1c[nH]c(CNCC2CC(C)(C)C2)n1 ZINC000883099055 591539010 /nfs/dbraw/zinc/53/90/10/591539010.db2.gz IIYQTSWRQOWZHF-UHFFFAOYSA-N 0 3 235.375 3.059 20 0 BGADHN CC(C)c1c[nH]c(CNCC(C)(C)C(C)C)n1 ZINC000883099551 591538989 /nfs/dbraw/zinc/53/89/89/591538989.db2.gz ZBBIYCWNFMXBRR-UHFFFAOYSA-N 0 3 237.391 3.305 20 0 BGADHN CCC(C)(C)CNCc1nc(C(C)C)c[nH]1 ZINC000883102812 591540965 /nfs/dbraw/zinc/54/09/65/591540965.db2.gz BIWILALSNLHKLR-UHFFFAOYSA-N 0 3 223.364 3.059 20 0 BGADHN CC(C)c1c[nH]c(CNC2CCC3(CC3)CC2)n1 ZINC000883104864 591540696 /nfs/dbraw/zinc/54/06/96/591540696.db2.gz OZLBTDYKDCTSLL-UHFFFAOYSA-N 0 3 247.386 3.346 20 0 BGADHN C[C@H]1CCC[C@H](NCc2cccnc2F)CC1 ZINC000883107839 591540559 /nfs/dbraw/zinc/54/05/59/591540559.db2.gz MEJDZUUCGIXLSZ-AAEUAGOBSA-N 0 3 236.334 3.279 20 0 BGADHN C[C@@H]1CCC[C@@H](NCc2cccnc2F)CC1 ZINC000883107840 591540897 /nfs/dbraw/zinc/54/08/97/591540897.db2.gz MEJDZUUCGIXLSZ-DGCLKSJQSA-N 0 3 236.334 3.279 20 0 BGADHN C[C@H]1CCC[C@@H](NCc2cccnc2F)CC1 ZINC000883107841 591540524 /nfs/dbraw/zinc/54/05/24/591540524.db2.gz MEJDZUUCGIXLSZ-WCQYABFASA-N 0 3 236.334 3.279 20 0 BGADHN C[C@@H]1CCC[C@H](NCc2cccnc2F)CC1 ZINC000883107842 591540592 /nfs/dbraw/zinc/54/05/92/591540592.db2.gz MEJDZUUCGIXLSZ-YPMHNXCESA-N 0 3 236.334 3.279 20 0 BGADHN CC(C)c1c[nH]c(CNC[C@H]2CC[C@@H](C)C2)n1 ZINC000883108692 591541028 /nfs/dbraw/zinc/54/10/28/591541028.db2.gz QAJMRCNIOSZNIG-NEPJUHHUSA-N 0 3 235.375 3.059 20 0 BGADHN CC(C)c1c[nH]c(CNC[C@@H]2CC[C@H](C)C2)n1 ZINC000883108693 591540991 /nfs/dbraw/zinc/54/09/91/591540991.db2.gz QAJMRCNIOSZNIG-NWDGAFQWSA-N 0 3 235.375 3.059 20 0 BGADHN CC(C)c1c[nH]c(CNC[C@H]2CC[C@H](C)C2)n1 ZINC000883108694 591540347 /nfs/dbraw/zinc/54/03/47/591540347.db2.gz QAJMRCNIOSZNIG-RYUDHWBXSA-N 0 3 235.375 3.059 20 0 BGADHN CC(C)c1c[nH]c(CNC[C@@H]2CC[C@@H](C)C2)n1 ZINC000883108695 591540622 /nfs/dbraw/zinc/54/06/22/591540622.db2.gz QAJMRCNIOSZNIG-VXGBXAGGSA-N 0 3 235.375 3.059 20 0 BGADHN CC(C)c1c[nH]c(CNC[C@@H]2CCC[C@H]2C)n1 ZINC000883110501 591541685 /nfs/dbraw/zinc/54/16/85/591541685.db2.gz CEOUFVCIHRMOTK-NEPJUHHUSA-N 0 3 235.375 3.059 20 0 BGADHN CC(C)c1c[nH]c(CNC[C@H]2CCC[C@@H]2C)n1 ZINC000883110502 591541481 /nfs/dbraw/zinc/54/14/81/591541481.db2.gz CEOUFVCIHRMOTK-NWDGAFQWSA-N 0 3 235.375 3.059 20 0 BGADHN CC(C)c1c[nH]c(CNC[C@@H]2CCC[C@@H]2C)n1 ZINC000883110503 591541469 /nfs/dbraw/zinc/54/14/69/591541469.db2.gz CEOUFVCIHRMOTK-RYUDHWBXSA-N 0 3 235.375 3.059 20 0 BGADHN CC(C)c1c[nH]c(CNC[C@H]2CCC[C@H]2C)n1 ZINC000883110504 591541833 /nfs/dbraw/zinc/54/18/33/591541833.db2.gz CEOUFVCIHRMOTK-VXGBXAGGSA-N 0 3 235.375 3.059 20 0 BGADHN CSc1ccc(CN[C@H]2CCC2(C)C)o1 ZINC000883119524 591543339 /nfs/dbraw/zinc/54/33/39/591543339.db2.gz BOXFBHNQGBJJNF-JTQLQIEISA-N 0 3 225.357 3.280 20 0 BGADHN CSc1ccc(CN[C@@H]2CCC2(C)C)o1 ZINC000883119525 591542628 /nfs/dbraw/zinc/54/26/28/591542628.db2.gz BOXFBHNQGBJJNF-SNVBAGLBSA-N 0 3 225.357 3.280 20 0 BGADHN CCc1noc(C)c1CN[C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000883130424 591545283 /nfs/dbraw/zinc/54/52/83/591545283.db2.gz DSBBGPCIPLHDNS-CLLJXQQHSA-N 0 3 248.370 3.214 20 0 BGADHN CCc1noc(C)c1CN[C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000883130425 591545840 /nfs/dbraw/zinc/54/58/40/591545840.db2.gz DSBBGPCIPLHDNS-ITGUQSILSA-N 0 3 248.370 3.214 20 0 BGADHN CC(C)c1c[nH]c(CNC2CC(C(C)(C)C)C2)n1 ZINC000883130931 591545309 /nfs/dbraw/zinc/54/53/09/591545309.db2.gz XYZMUJQUIZWNCP-UHFFFAOYSA-N 0 3 249.402 3.447 20 0 BGADHN CC(C)c1c[nH]c(CNCCC(C)(C)C2CC2)n1 ZINC000883131486 591546593 /nfs/dbraw/zinc/54/65/93/591546593.db2.gz DPGBRWBSUXKDDW-UHFFFAOYSA-N 0 3 249.402 3.449 20 0 BGADHN CCC1(NCc2nc(C(C)C)c[nH]2)CCCC1 ZINC000883133467 591548224 /nfs/dbraw/zinc/54/82/24/591548224.db2.gz ZYLRHXUAFLHOBI-UHFFFAOYSA-N 0 3 235.375 3.346 20 0 BGADHN CC(C)c1c[nH]c(CNCC(C)(C)C2CCC2)n1 ZINC000883134789 591548408 /nfs/dbraw/zinc/54/84/08/591548408.db2.gz JIHLUGHNHYCZQW-UHFFFAOYSA-N 0 3 249.402 3.449 20 0 BGADHN CC(C)c1c[nH]c(CNC(C)(C)C2CCC2)n1 ZINC000883134888 591548307 /nfs/dbraw/zinc/54/83/07/591548307.db2.gz NDUFSNDPYFNMLN-UHFFFAOYSA-N 0 3 235.375 3.201 20 0 BGADHN C[C@@H]1C[C@H](N[C@H]2C[C@@H]3CC[C@@H](C3)C2)c2nccn21 ZINC000883135531 591548264 /nfs/dbraw/zinc/54/82/64/591548264.db2.gz GXAUYDHVVFEXNG-DGTMBMJNSA-N 0 3 245.370 3.057 20 0 BGADHN C[C@@H]1C[C@@H](N[C@H]2C[C@@H]3CC[C@@H](C3)C2)c2nccn21 ZINC000883135532 591548066 /nfs/dbraw/zinc/54/80/66/591548066.db2.gz GXAUYDHVVFEXNG-PEBLQZBPSA-N 0 3 245.370 3.057 20 0 BGADHN C[C@@H]1C[C@H](N[C@@H]2C[C@@H]3CC[C@@H](C3)C2)c2nccn21 ZINC000883135533 591548003 /nfs/dbraw/zinc/54/80/03/591548003.db2.gz GXAUYDHVVFEXNG-RGDJUOJXSA-N 0 3 245.370 3.057 20 0 BGADHN C[C@@H]1C[C@@H](N[C@@H]2C[C@@H]3CC[C@@H](C3)C2)c2nccn21 ZINC000883135534 591548387 /nfs/dbraw/zinc/54/83/87/591548387.db2.gz GXAUYDHVVFEXNG-RKQHYHRCSA-N 0 3 245.370 3.057 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000883136250 591548239 /nfs/dbraw/zinc/54/82/39/591548239.db2.gz YDXZKCVYSJARMH-FQUUOJAGSA-N 0 3 247.386 3.132 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000883136251 591547699 /nfs/dbraw/zinc/54/76/99/591547699.db2.gz YDXZKCVYSJARMH-IGQOVBAYSA-N 0 3 247.386 3.132 20 0 BGADHN CCn1ccnc1[C@@H](C)N[C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000883136252 591548494 /nfs/dbraw/zinc/54/84/94/591548494.db2.gz YDXZKCVYSJARMH-MQYQWHSLSA-N 0 3 247.386 3.132 20 0 BGADHN CCn1ccnc1[C@@H](C)N[C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000883136253 591548124 /nfs/dbraw/zinc/54/81/24/591548124.db2.gz YDXZKCVYSJARMH-YIYPIFLZSA-N 0 3 247.386 3.132 20 0 BGADHN CCCc1ncc(CN[C@@H]2C[C@@H]3CC[C@@H](C3)C2)o1 ZINC000883136702 591548235 /nfs/dbraw/zinc/54/82/35/591548235.db2.gz LNYXOXBMKATHIP-CLLJXQQHSA-N 0 3 248.370 3.295 20 0 BGADHN CCCc1ncc(CN[C@H]2C[C@@H]3CC[C@@H](C3)C2)o1 ZINC000883136703 591547955 /nfs/dbraw/zinc/54/79/55/591547955.db2.gz LNYXOXBMKATHIP-ITGUQSILSA-N 0 3 248.370 3.295 20 0 BGADHN CCc1nc(CN[C@H]2CCC[C@@H](C)CC2)co1 ZINC000883136724 591547934 /nfs/dbraw/zinc/54/79/34/591547934.db2.gz MAJRXDHMSOBCLY-NEPJUHHUSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1nc(CN[C@@H]2CCC[C@H](C)CC2)co1 ZINC000883136725 591548318 /nfs/dbraw/zinc/54/83/18/591548318.db2.gz MAJRXDHMSOBCLY-NWDGAFQWSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1nc(CN[C@H]2CCC[C@H](C)CC2)co1 ZINC000883136726 591547671 /nfs/dbraw/zinc/54/76/71/591547671.db2.gz MAJRXDHMSOBCLY-RYUDHWBXSA-N 0 3 236.359 3.295 20 0 BGADHN CCc1nc(CN[C@@H]2CCC[C@@H](C)CC2)co1 ZINC000883136727 591548081 /nfs/dbraw/zinc/54/80/81/591548081.db2.gz MAJRXDHMSOBCLY-VXGBXAGGSA-N 0 3 236.359 3.295 20 0 BGADHN CC(C)c1c[nH]c(CN[C@H](C2CC2)C2CCC2)n1 ZINC000883140114 591550149 /nfs/dbraw/zinc/55/01/49/591550149.db2.gz JUVNILGMJDUGJW-HNNXBMFYSA-N 0 3 247.386 3.201 20 0 BGADHN CC(C)c1c[nH]c(CN[C@@H](C2CC2)C2CCC2)n1 ZINC000883140115 591550435 /nfs/dbraw/zinc/55/04/35/591550435.db2.gz JUVNILGMJDUGJW-OAHLLOKOSA-N 0 3 247.386 3.201 20 0 BGADHN CC(C)c1c[nH]c(CN[C@H](C)CC(C)(C)C)n1 ZINC000883140317 591549929 /nfs/dbraw/zinc/54/99/29/591549929.db2.gz PRKFLZSQHUKVBI-LLVKDONJSA-N 0 3 237.391 3.447 20 0 BGADHN CC(C)c1c[nH]c(CN[C@@H](C)CC(C)(C)C)n1 ZINC000883140318 591549969 /nfs/dbraw/zinc/54/99/69/591549969.db2.gz PRKFLZSQHUKVBI-NSHDSACASA-N 0 3 237.391 3.447 20 0 BGADHN CC(C)c1c[nH]c(CNC2(C3CCC3)CCC2)n1 ZINC000883144883 591551573 /nfs/dbraw/zinc/55/15/73/591551573.db2.gz FBRFNNATTCMVQF-UHFFFAOYSA-N 0 3 247.386 3.346 20 0 BGADHN CC(C)c1c[nH]c(CN[C@@]2(C)CC=CCC2)n1 ZINC000883145403 591551384 /nfs/dbraw/zinc/55/13/84/591551384.db2.gz ZKBDZODKMCPIOO-AWEZNQCLSA-N 0 3 233.359 3.122 20 0 BGADHN CC(C)c1c[nH]c(CN[C@]2(C)CC=CCC2)n1 ZINC000883145404 591550909 /nfs/dbraw/zinc/55/09/09/591550909.db2.gz ZKBDZODKMCPIOO-CQSZACIVSA-N 0 3 233.359 3.122 20 0 BGADHN CC(C)c1c[nH]c(CNC[C@@H]2C[C@H]2C2CCC2)n1 ZINC000883149811 591553299 /nfs/dbraw/zinc/55/32/99/591553299.db2.gz LNPPYDSRXGHQJP-STQMWFEESA-N 0 3 247.386 3.059 20 0 BGADHN CC(C)c1c[nH]c(CN[C@H](C)C(C)(C)C)n1 ZINC000883158311 591555992 /nfs/dbraw/zinc/55/59/92/591555992.db2.gz BJYDVAPPDQEDPM-SNVBAGLBSA-N 0 3 223.364 3.057 20 0 BGADHN CC[C@@H](N[C@H](C)COC)c1sccc1Cl ZINC000883164257 591556662 /nfs/dbraw/zinc/55/66/62/591556662.db2.gz ZOXMYZGOXHMYAL-PSASIEDQSA-N 0 3 247.791 3.477 20 0 BGADHN CC[C@H](N[C@H](C)COC)c1sccc1Cl ZINC000883164258 591557197 /nfs/dbraw/zinc/55/71/97/591557197.db2.gz ZOXMYZGOXHMYAL-SCZZXKLOSA-N 0 3 247.791 3.477 20 0 BGADHN CC[C@@H](N[C@@H](C)COC)c1sccc1Cl ZINC000883164259 591556922 /nfs/dbraw/zinc/55/69/22/591556922.db2.gz ZOXMYZGOXHMYAL-WCBMZHEXSA-N 0 3 247.791 3.477 20 0 BGADHN CC[C@H](N[C@@H](C)COC)c1sccc1Cl ZINC000883164260 591556797 /nfs/dbraw/zinc/55/67/97/591556797.db2.gz ZOXMYZGOXHMYAL-WPRPVWTQSA-N 0 3 247.791 3.477 20 0 BGADHN CC[C@H](CO)N[C@H](CC)c1sccc1Cl ZINC000883164486 591557431 /nfs/dbraw/zinc/55/74/31/591557431.db2.gz HFDOOTOLVFBIIS-PSASIEDQSA-N 0 3 247.791 3.213 20 0 BGADHN CC[C@H](CO)N[C@@H](CC)c1sccc1Cl ZINC000883164487 591557527 /nfs/dbraw/zinc/55/75/27/591557527.db2.gz HFDOOTOLVFBIIS-SCZZXKLOSA-N 0 3 247.791 3.213 20 0 BGADHN CC[C@@H](N[C@@H](CC)CO)c1sccc1Cl ZINC000883164488 591557114 /nfs/dbraw/zinc/55/71/14/591557114.db2.gz HFDOOTOLVFBIIS-WCBMZHEXSA-N 0 3 247.791 3.213 20 0 BGADHN CC[C@@H](CO)N[C@@H](CC)c1sccc1Cl ZINC000883164489 591550106 /nfs/dbraw/zinc/55/01/06/591550106.db2.gz HFDOOTOLVFBIIS-WPRPVWTQSA-N 0 3 247.791 3.213 20 0 BGADHN CC[C@H](NCCCOC)c1sccc1Cl ZINC000883165142 591558767 /nfs/dbraw/zinc/55/87/67/591558767.db2.gz XDMJVEUQWIARML-JTQLQIEISA-N 0 3 247.791 3.479 20 0 BGADHN CC[C@@H](NCCCOC)c1sccc1Cl ZINC000883165143 591558148 /nfs/dbraw/zinc/55/81/48/591558148.db2.gz XDMJVEUQWIARML-SNVBAGLBSA-N 0 3 247.791 3.479 20 0 BGADHN CC[C@@H](NCCOC)c1sccc1Cl ZINC000883165156 591558249 /nfs/dbraw/zinc/55/82/49/591558249.db2.gz XPTRKASYPAEXNB-SECBINFHSA-N 0 3 233.764 3.089 20 0 BGADHN CC[C@H](NCCOC)c1sccc1Cl ZINC000883165157 591558098 /nfs/dbraw/zinc/55/80/98/591558098.db2.gz XPTRKASYPAEXNB-VIFPVBQESA-N 0 3 233.764 3.089 20 0 BGADHN CCC(C)(C)[C@@H](C)NCc1nc(C(C)C)c[nH]1 ZINC000883167391 591560118 /nfs/dbraw/zinc/56/01/18/591560118.db2.gz XPSFPLQTAVRZNF-LLVKDONJSA-N 0 3 237.391 3.447 20 0 BGADHN CCC(C)(C)[C@H](C)NCc1nc(C(C)C)c[nH]1 ZINC000883167392 591559731 /nfs/dbraw/zinc/55/97/31/591559731.db2.gz XPSFPLQTAVRZNF-NSHDSACASA-N 0 3 237.391 3.447 20 0 BGADHN CC[C@@H](C)CCNCc1nc(C(C)C)c[nH]1 ZINC000883167447 591558087 /nfs/dbraw/zinc/55/80/87/591558087.db2.gz YQPVYOYTHUVKDA-LLVKDONJSA-N 0 3 223.364 3.059 20 0 BGADHN CC[C@H](C)CCNCc1nc(C(C)C)c[nH]1 ZINC000883167448 591558410 /nfs/dbraw/zinc/55/84/10/591558410.db2.gz YQPVYOYTHUVKDA-NSHDSACASA-N 0 3 223.364 3.059 20 0 BGADHN CCOCCN[C@@H](CC)c1sccc1Cl ZINC000883173308 591562249 /nfs/dbraw/zinc/56/22/49/591562249.db2.gz IDAMGLXAZXGHFC-JTQLQIEISA-N 0 3 247.791 3.479 20 0 BGADHN CCOCCN[C@H](CC)c1sccc1Cl ZINC000883173309 591562783 /nfs/dbraw/zinc/56/27/83/591562783.db2.gz IDAMGLXAZXGHFC-SNVBAGLBSA-N 0 3 247.791 3.479 20 0 BGADHN CC(C)c1c[nH]c(CNC[C@@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC000883174401 591562186 /nfs/dbraw/zinc/56/21/86/591562186.db2.gz KFFGSDUECUXTEK-AGIUHOORSA-N 0 3 247.386 3.059 20 0 BGADHN CC(C)c1c[nH]c(CNC[C@@H]2CCC[C@H]3C[C@H]32)n1 ZINC000883174404 591562389 /nfs/dbraw/zinc/56/23/89/591562389.db2.gz KFFGSDUECUXTEK-RWMBFGLXSA-N 0 3 247.386 3.059 20 0 BGADHN CC(C)c1c[nH]c(CNCCCC2CCC2)n1 ZINC000883174963 591561851 /nfs/dbraw/zinc/56/18/51/591561851.db2.gz VZMFJIYBAAVPBI-UHFFFAOYSA-N 0 3 235.375 3.203 20 0 BGADHN CC[C@](C)(NCc1nc(C(C)C)c[nH]1)C1CC1 ZINC000883175375 591562718 /nfs/dbraw/zinc/56/27/18/591562718.db2.gz FTTVPPXDHNWOPV-AWEZNQCLSA-N 0 3 235.375 3.201 20 0 BGADHN CC[C@@](C)(NCc1nc(C(C)C)c[nH]1)C1CC1 ZINC000883175376 591562491 /nfs/dbraw/zinc/56/24/91/591562491.db2.gz FTTVPPXDHNWOPV-CQSZACIVSA-N 0 3 235.375 3.201 20 0 BGADHN CC(C)c1c[nH]c(CNC(C)(C2CC2)C2CC2)n1 ZINC000883179606 591563400 /nfs/dbraw/zinc/56/34/00/591563400.db2.gz CZQCTXSQCDQDJG-UHFFFAOYSA-N 0 3 247.386 3.201 20 0 BGADHN CC(C)c1c[nH]c(CN[C@@H](C(C)C)C2CC2)n1 ZINC000883179963 591563249 /nfs/dbraw/zinc/56/32/49/591563249.db2.gz OXQZFSYHOKRUMP-AWEZNQCLSA-N 0 3 235.375 3.057 20 0 BGADHN CC(C)c1c[nH]c(CN[C@H](C(C)C)C2CC2)n1 ZINC000883179964 591563891 /nfs/dbraw/zinc/56/38/91/591563891.db2.gz OXQZFSYHOKRUMP-CQSZACIVSA-N 0 3 235.375 3.057 20 0 BGADHN CC1(C)C[C@@]1(C)NCc1cccc(Cl)c1N ZINC000883180250 591564179 /nfs/dbraw/zinc/56/41/79/591564179.db2.gz XZVUNYDYZYBGDN-CYBMUJFWSA-N 0 3 238.762 3.200 20 0 BGADHN CC1(C)C[C@]1(C)NCc1cccc(Cl)c1N ZINC000883180251 591563555 /nfs/dbraw/zinc/56/35/55/591563555.db2.gz XZVUNYDYZYBGDN-ZDUSSCGKSA-N 0 3 238.762 3.200 20 0 BGADHN CC(C)CC1(NCc2nc(C(C)C)c[nH]2)CC1 ZINC000883180552 591563406 /nfs/dbraw/zinc/56/34/06/591563406.db2.gz FUYIIFFLMSELPQ-UHFFFAOYSA-N 0 3 235.375 3.201 20 0 BGADHN CC(C)c1c[nH]c(CNC[C@@H]2CC[C@H]3C[C@H]3C2)n1 ZINC000883185161 591565159 /nfs/dbraw/zinc/56/51/59/591565159.db2.gz POLSFHULXQXQPK-FRRDWIJNSA-N 0 3 247.386 3.059 20 0 BGADHN CC(C)c1c[nH]c(CNC[C@@H]2CC[C@@H]3C[C@@H]3C2)n1 ZINC000883185163 591565218 /nfs/dbraw/zinc/56/52/18/591565218.db2.gz POLSFHULXQXQPK-UPJWGTAASA-N 0 3 247.386 3.059 20 0 BGADHN CC[C@@H](NCC(C)(C)O)c1sccc1Cl ZINC000883188093 591567058 /nfs/dbraw/zinc/56/70/58/591567058.db2.gz DNTYMXPSQDDIKG-SECBINFHSA-N 0 3 247.791 3.213 20 0 BGADHN CC[C@H](NCC(C)(C)O)c1sccc1Cl ZINC000883188094 591566179 /nfs/dbraw/zinc/56/61/79/591566179.db2.gz DNTYMXPSQDDIKG-VIFPVBQESA-N 0 3 247.791 3.213 20 0 BGADHN CC[C@@H](NCC[C@@H](C)O)c1sccc1Cl ZINC000883189733 591567537 /nfs/dbraw/zinc/56/75/37/591567537.db2.gz NPBPNWOAUMIRMP-PSASIEDQSA-N 0 3 247.791 3.213 20 0 BGADHN CC[C@H](NCC[C@@H](C)O)c1sccc1Cl ZINC000883189734 591568056 /nfs/dbraw/zinc/56/80/56/591568056.db2.gz NPBPNWOAUMIRMP-SCZZXKLOSA-N 0 3 247.791 3.213 20 0 BGADHN CC[C@@H](NCC[C@H](C)O)c1sccc1Cl ZINC000883189735 591568329 /nfs/dbraw/zinc/56/83/29/591568329.db2.gz NPBPNWOAUMIRMP-WCBMZHEXSA-N 0 3 247.791 3.213 20 0 BGADHN CC[C@H](NCC[C@H](C)O)c1sccc1Cl ZINC000883189736 591567709 /nfs/dbraw/zinc/56/77/09/591567709.db2.gz NPBPNWOAUMIRMP-WPRPVWTQSA-N 0 3 247.791 3.213 20 0 BGADHN CC(C)c1c[nH]c(CNCC[C@@H]2CC=CCC2)n1 ZINC000883189962 591567881 /nfs/dbraw/zinc/56/78/81/591567881.db2.gz SAEXGNXXXWZCAP-CYBMUJFWSA-N 0 3 247.386 3.369 20 0 BGADHN CC(C)c1c[nH]c(CNCC[C@H]2CC=CCC2)n1 ZINC000883189963 591567753 /nfs/dbraw/zinc/56/77/53/591567753.db2.gz SAEXGNXXXWZCAP-ZDUSSCGKSA-N 0 3 247.386 3.369 20 0 BGADHN CC(C)c1c[nH]c(CNC[C@]2(C)C[C@H]3C[C@H]3C2)n1 ZINC000883190558 591567916 /nfs/dbraw/zinc/56/79/16/591567916.db2.gz HAZQLPXVGUZFIU-JJLQDPRZSA-N 0 3 247.386 3.059 20 0 BGADHN CC[C@@H](N[C@H](C)CCO)c1sccc1Cl ZINC000883190754 591568253 /nfs/dbraw/zinc/56/82/53/591568253.db2.gz LHHDYVYZWYARKU-PSASIEDQSA-N 0 3 247.791 3.213 20 0 BGADHN CC[C@H](N[C@H](C)CCO)c1sccc1Cl ZINC000883190755 591567605 /nfs/dbraw/zinc/56/76/05/591567605.db2.gz LHHDYVYZWYARKU-SCZZXKLOSA-N 0 3 247.791 3.213 20 0 BGADHN CC[C@@H](N[C@@H](C)CCO)c1sccc1Cl ZINC000883190756 591567704 /nfs/dbraw/zinc/56/77/04/591567704.db2.gz LHHDYVYZWYARKU-WCBMZHEXSA-N 0 3 247.791 3.213 20 0 BGADHN CC[C@H](N[C@@H](C)CCO)c1sccc1Cl ZINC000883190757 591568160 /nfs/dbraw/zinc/56/81/60/591568160.db2.gz LHHDYVYZWYARKU-WPRPVWTQSA-N 0 3 247.791 3.213 20 0 BGADHN CCc1cc(CN[C@@H]2CCCC3(CC3)C2)on1 ZINC000883191949 591567510 /nfs/dbraw/zinc/56/75/10/591567510.db2.gz NIZINOMOVNCIPS-GFCCVEGCSA-N 0 3 234.343 3.049 20 0 BGADHN CCc1cc(CN[C@H]2CCCC3(CC3)C2)on1 ZINC000883191950 591568197 /nfs/dbraw/zinc/56/81/97/591568197.db2.gz NIZINOMOVNCIPS-LBPRGKRZSA-N 0 3 234.343 3.049 20 0 BGADHN CC(C)c1c[nH]c(CNC[C@H]2CCCC23CC3)n1 ZINC000883192465 591567844 /nfs/dbraw/zinc/56/78/44/591567844.db2.gz ZUUFQTAXUXPJPF-GFCCVEGCSA-N 0 3 247.386 3.203 20 0 BGADHN CC(C)c1c[nH]c(CNC[C@@H]2CCCC23CC3)n1 ZINC000883192466 591567517 /nfs/dbraw/zinc/56/75/17/591567517.db2.gz ZUUFQTAXUXPJPF-LBPRGKRZSA-N 0 3 247.386 3.203 20 0 BGADHN CCC(C)(C)CCNCc1nc(C(C)C)c[nH]1 ZINC000883193669 591569304 /nfs/dbraw/zinc/56/93/04/591569304.db2.gz BJSUHCQUWYGAHX-UHFFFAOYSA-N 0 3 237.391 3.449 20 0 BGADHN CC(C)c1c[nH]c(CN[C@H](C)CC2CCC2)n1 ZINC000883196963 591569621 /nfs/dbraw/zinc/56/96/21/591569621.db2.gz ZQAAHBQPEKWRTP-LLVKDONJSA-N 0 3 235.375 3.201 20 0 BGADHN CC(C)c1c[nH]c(CN[C@@H](C)CC2CCC2)n1 ZINC000883196964 583738837 /nfs/dbraw/zinc/73/88/37/583738837.db2.gz ZQAAHBQPEKWRTP-NSHDSACASA-N 0 3 235.375 3.201 20 0 BGADHN CC(C)c1c[nH]c(CNCCCCC2CC2)n1 ZINC000883198339 591570266 /nfs/dbraw/zinc/57/02/66/591570266.db2.gz GPLXXCMELLPVNM-UHFFFAOYSA-N 0 3 235.375 3.203 20 0 BGADHN CC(C)c1c[nH]c(CNCCC[C@@H]2C=CCC2)n1 ZINC000883203070 591572177 /nfs/dbraw/zinc/57/21/77/591572177.db2.gz RVGPKQCOLZRKJX-CYBMUJFWSA-N 0 3 247.386 3.369 20 0 BGADHN CC(C)c1c[nH]c(CNCCC[C@H]2C=CCC2)n1 ZINC000883203071 591571611 /nfs/dbraw/zinc/57/16/11/591571611.db2.gz RVGPKQCOLZRKJX-ZDUSSCGKSA-N 0 3 247.386 3.369 20 0 BGADHN Fc1cccnc1CN[C@@H]1CCCC2(CC2)C1 ZINC000883207079 591572478 /nfs/dbraw/zinc/57/24/78/591572478.db2.gz GINXEMVANZYSEF-LLVKDONJSA-N 0 3 234.318 3.033 20 0 BGADHN Fc1cccnc1CN[C@H]1CCCC2(CC2)C1 ZINC000883207080 591573235 /nfs/dbraw/zinc/57/32/35/591573235.db2.gz GINXEMVANZYSEF-NSHDSACASA-N 0 3 234.318 3.033 20 0 BGADHN Fc1cccc(CN[C@@H]2CCCC3(CC3)C2)n1 ZINC000883207425 591572514 /nfs/dbraw/zinc/57/25/14/591572514.db2.gz MHCPSKXNNHONPI-LLVKDONJSA-N 0 3 234.318 3.033 20 0 BGADHN Fc1cccc(CN[C@H]2CCCC3(CC3)C2)n1 ZINC000883207426 591573091 /nfs/dbraw/zinc/57/30/91/591573091.db2.gz MHCPSKXNNHONPI-NSHDSACASA-N 0 3 234.318 3.033 20 0 BGADHN CC[C@@H](N[C@@H]1CCOC1)c1sccc1Cl ZINC000883207812 591574493 /nfs/dbraw/zinc/57/44/93/591574493.db2.gz SZDXUBRKIBIECH-PSASIEDQSA-N 0 3 245.775 3.231 20 0 BGADHN CC[C@H](N[C@@H]1CCOC1)c1sccc1Cl ZINC000883207813 591573691 /nfs/dbraw/zinc/57/36/91/591573691.db2.gz SZDXUBRKIBIECH-SCZZXKLOSA-N 0 3 245.775 3.231 20 0 BGADHN CC[C@@H](N[C@H]1CCOC1)c1sccc1Cl ZINC000883207814 591574485 /nfs/dbraw/zinc/57/44/85/591574485.db2.gz SZDXUBRKIBIECH-WCBMZHEXSA-N 0 3 245.775 3.231 20 0 BGADHN CC[C@H](N[C@H]1CCOC1)c1sccc1Cl ZINC000883207815 591574650 /nfs/dbraw/zinc/57/46/50/591574650.db2.gz SZDXUBRKIBIECH-WPRPVWTQSA-N 0 3 245.775 3.231 20 0 BGADHN OCC[C@@H](N[C@@H]1CCCC2(CC2)C1)c1ccco1 ZINC000883215840 591575975 /nfs/dbraw/zinc/57/59/75/591575975.db2.gz HDCSELLREPTNKY-CHWSQXEVSA-N 0 3 249.354 3.016 20 0 BGADHN OCC[C@H](N[C@@H]1CCCC2(CC2)C1)c1ccco1 ZINC000883215841 591575486 /nfs/dbraw/zinc/57/54/86/591575486.db2.gz HDCSELLREPTNKY-OLZOCXBDSA-N 0 3 249.354 3.016 20 0 BGADHN OCC[C@@H](N[C@H]1CCCC2(CC2)C1)c1ccco1 ZINC000883215842 591575144 /nfs/dbraw/zinc/57/51/44/591575144.db2.gz HDCSELLREPTNKY-QWHCGFSZSA-N 0 3 249.354 3.016 20 0 BGADHN OCC[C@H](N[C@H]1CCCC2(CC2)C1)c1ccco1 ZINC000883215843 591575463 /nfs/dbraw/zinc/57/54/63/591575463.db2.gz HDCSELLREPTNKY-STQMWFEESA-N 0 3 249.354 3.016 20 0 BGADHN CC[C@@H](NC[C@@H](C)OC)c1sccc1Cl ZINC000883217168 591575611 /nfs/dbraw/zinc/57/56/11/591575611.db2.gz CYIRABYGEOSYBY-PSASIEDQSA-N 0 3 247.791 3.477 20 0 BGADHN CC[C@H](NC[C@@H](C)OC)c1sccc1Cl ZINC000883217169 591575214 /nfs/dbraw/zinc/57/52/14/591575214.db2.gz CYIRABYGEOSYBY-SCZZXKLOSA-N 0 3 247.791 3.477 20 0 BGADHN CC[C@@H](NC[C@H](C)OC)c1sccc1Cl ZINC000883217170 591575795 /nfs/dbraw/zinc/57/57/95/591575795.db2.gz CYIRABYGEOSYBY-WCBMZHEXSA-N 0 3 247.791 3.477 20 0 BGADHN CC[C@H](NC[C@H](C)OC)c1sccc1Cl ZINC000883217171 591575933 /nfs/dbraw/zinc/57/59/33/591575933.db2.gz CYIRABYGEOSYBY-WPRPVWTQSA-N 0 3 247.791 3.477 20 0 BGADHN CC[C@H](NCCCCO)c1sccc1Cl ZINC000883219553 591576044 /nfs/dbraw/zinc/57/60/44/591576044.db2.gz VSZXZVYCTHJDMC-JTQLQIEISA-N 0 3 247.791 3.215 20 0 BGADHN CC[C@@H](NCCCCO)c1sccc1Cl ZINC000883219554 591576381 /nfs/dbraw/zinc/57/63/81/591576381.db2.gz VSZXZVYCTHJDMC-SNVBAGLBSA-N 0 3 247.791 3.215 20 0 BGADHN Cc1cc([C@@H](C)N[C@H]2CCCC3(CC3)C2)no1 ZINC000883221322 591576657 /nfs/dbraw/zinc/57/66/57/591576657.db2.gz YYDWENKALZIZKV-NEPJUHHUSA-N 0 3 234.343 3.356 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CCCC3(CC3)C2)no1 ZINC000883221323 591576468 /nfs/dbraw/zinc/57/64/68/591576468.db2.gz YYDWENKALZIZKV-NWDGAFQWSA-N 0 3 234.343 3.356 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2CCCC3(CC3)C2)no1 ZINC000883221324 591576365 /nfs/dbraw/zinc/57/63/65/591576365.db2.gz YYDWENKALZIZKV-RYUDHWBXSA-N 0 3 234.343 3.356 20 0 BGADHN Cc1cc([C@@H](C)N[C@@H]2CCCC3(CC3)C2)no1 ZINC000883221325 591576416 /nfs/dbraw/zinc/57/64/16/591576416.db2.gz YYDWENKALZIZKV-VXGBXAGGSA-N 0 3 234.343 3.356 20 0 BGADHN CC[C@H](NCCN(C)C)c1sccc1Cl ZINC000883221790 591576735 /nfs/dbraw/zinc/57/67/35/591576735.db2.gz HSGFCGAMOIAURH-JTQLQIEISA-N 0 3 246.807 3.004 20 0 BGADHN CC[C@@H](NCCN(C)C)c1sccc1Cl ZINC000883221791 591576480 /nfs/dbraw/zinc/57/64/80/591576480.db2.gz HSGFCGAMOIAURH-SNVBAGLBSA-N 0 3 246.807 3.004 20 0 BGADHN CCc1noc(C)c1CN[C@@H]1CCCC2(CC2)C1 ZINC000883224551 591577732 /nfs/dbraw/zinc/57/77/32/591577732.db2.gz OBKRHAJBWALRJG-GFCCVEGCSA-N 0 3 248.370 3.358 20 0 BGADHN CCc1noc(C)c1CN[C@H]1CCCC2(CC2)C1 ZINC000883224552 591577432 /nfs/dbraw/zinc/57/74/32/591577432.db2.gz OBKRHAJBWALRJG-LBPRGKRZSA-N 0 3 248.370 3.358 20 0 BGADHN CCCc1ncc(CN[C@@H]2CCCC3(CC3)C2)o1 ZINC000883226603 591578573 /nfs/dbraw/zinc/57/85/73/591578573.db2.gz BSXZYFNQFYCOHV-GFCCVEGCSA-N 0 3 248.370 3.440 20 0 BGADHN CCCc1ncc(CN[C@H]2CCCC3(CC3)C2)o1 ZINC000883226604 591579023 /nfs/dbraw/zinc/57/90/23/591579023.db2.gz BSXZYFNQFYCOHV-LBPRGKRZSA-N 0 3 248.370 3.440 20 0 BGADHN c1nc(C2CC2)oc1CN[C@@H]1CCCC2(CC2)C1 ZINC000883226702 591579337 /nfs/dbraw/zinc/57/93/37/591579337.db2.gz DARSIJFGYIJPPZ-GFCCVEGCSA-N 0 3 246.354 3.364 20 0 BGADHN c1nc(C2CC2)oc1CN[C@H]1CCCC2(CC2)C1 ZINC000883226703 591578695 /nfs/dbraw/zinc/57/86/95/591578695.db2.gz DARSIJFGYIJPPZ-LBPRGKRZSA-N 0 3 246.354 3.364 20 0 BGADHN CCn1ccnc1[C@@H](C)N[C@@H]1CCCC2(CC2)C1 ZINC000883226948 591578878 /nfs/dbraw/zinc/57/88/78/591578878.db2.gz IPISPBZIWDDUES-CHWSQXEVSA-N 0 3 247.386 3.276 20 0 BGADHN CCn1ccnc1[C@@H](C)N[C@H]1CCCC2(CC2)C1 ZINC000883226949 591578808 /nfs/dbraw/zinc/57/88/08/591578808.db2.gz IPISPBZIWDDUES-OLZOCXBDSA-N 0 3 247.386 3.276 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@@H]1CCCC2(CC2)C1 ZINC000883226950 591578897 /nfs/dbraw/zinc/57/88/97/591578897.db2.gz IPISPBZIWDDUES-QWHCGFSZSA-N 0 3 247.386 3.276 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@H]1CCCC2(CC2)C1 ZINC000883226951 591578585 /nfs/dbraw/zinc/57/85/85/591578585.db2.gz IPISPBZIWDDUES-STQMWFEESA-N 0 3 247.386 3.276 20 0 BGADHN CCc1ncc(CN[C@@H]2CCCC3(CC3)C2)o1 ZINC000883227281 591579066 /nfs/dbraw/zinc/57/90/66/591579066.db2.gz OODGOXWTVNRMMH-LLVKDONJSA-N 0 3 234.343 3.049 20 0 BGADHN CCc1ncc(CN[C@H]2CCCC3(CC3)C2)o1 ZINC000883227282 591579160 /nfs/dbraw/zinc/57/91/60/591579160.db2.gz OODGOXWTVNRMMH-NSHDSACASA-N 0 3 234.343 3.049 20 0 BGADHN CCc1nc(CN[C@@H]2CCCC3(CC3)C2)co1 ZINC000883227753 591578997 /nfs/dbraw/zinc/57/89/97/591578997.db2.gz WVNGKXABMYWBHQ-LLVKDONJSA-N 0 3 234.343 3.049 20 0 BGADHN CCc1nc(CN[C@H]2CCCC3(CC3)C2)co1 ZINC000883227754 591579119 /nfs/dbraw/zinc/57/91/19/591579119.db2.gz WVNGKXABMYWBHQ-NSHDSACASA-N 0 3 234.343 3.049 20 0 BGADHN CC[C@@H](O)CN[C@H](CC)c1sccc1Cl ZINC000883234431 591581347 /nfs/dbraw/zinc/58/13/47/591581347.db2.gz FDUAFHMZNGPAJL-PSASIEDQSA-N 0 3 247.791 3.213 20 0 BGADHN CC[C@@H](O)CN[C@@H](CC)c1sccc1Cl ZINC000883234432 591581475 /nfs/dbraw/zinc/58/14/75/591581475.db2.gz FDUAFHMZNGPAJL-SCZZXKLOSA-N 0 3 247.791 3.213 20 0 BGADHN CCSc1ccc(CNCc2cc[nH]c2)cc1 ZINC000883235719 591582088 /nfs/dbraw/zinc/58/20/88/591582088.db2.gz JMVVFWSOIZBDHD-UHFFFAOYSA-N 0 3 246.379 3.417 20 0 BGADHN CCSc1ccc(CNCC2(F)CC2)cc1 ZINC000883236158 591582934 /nfs/dbraw/zinc/58/29/34/591582934.db2.gz UBEBEJDZLQJHEX-UHFFFAOYSA-N 0 3 239.359 3.390 20 0 BGADHN Fc1ccc2oc(CNC[C@H]3C=CCC3)nc2c1 ZINC000883236942 591582255 /nfs/dbraw/zinc/58/22/55/591582255.db2.gz NPMJTNGCTCOLOG-JTQLQIEISA-N 0 3 246.285 3.023 20 0 BGADHN Fc1ccc2oc(CNC[C@@H]3C=CCC3)nc2c1 ZINC000883236943 591582417 /nfs/dbraw/zinc/58/24/17/591582417.db2.gz NPMJTNGCTCOLOG-SNVBAGLBSA-N 0 3 246.285 3.023 20 0 BGADHN C1=C[C@@H](CNCc2nc3c(s2)CCCC3)CC1 ZINC000883237448 591583357 /nfs/dbraw/zinc/58/33/57/591583357.db2.gz BUIRIDVWFIBEFI-LLVKDONJSA-N 0 3 248.395 3.078 20 0 BGADHN C1=C[C@H](CNCc2nc3c(s2)CCCC3)CC1 ZINC000883237449 591584087 /nfs/dbraw/zinc/58/40/87/591584087.db2.gz BUIRIDVWFIBEFI-NSHDSACASA-N 0 3 248.395 3.078 20 0 BGADHN CSc1ccc(CNC[C@H]2C=CCC2)o1 ZINC000883237492 591583456 /nfs/dbraw/zinc/58/34/56/591583456.db2.gz COXQDUYLFJBPEZ-JTQLQIEISA-N 0 3 223.341 3.057 20 0 BGADHN CSc1ccc(CNC[C@@H]2C=CCC2)o1 ZINC000883237493 591583582 /nfs/dbraw/zinc/58/35/82/591583582.db2.gz COXQDUYLFJBPEZ-SNVBAGLBSA-N 0 3 223.341 3.057 20 0 BGADHN CC(C)c1cnc(CNC[C@@H]2C=CCC2)s1 ZINC000883238088 591583703 /nfs/dbraw/zinc/58/37/03/591583703.db2.gz ROSMVMMFIOAJOB-LLVKDONJSA-N 0 3 236.384 3.322 20 0 BGADHN CC(C)c1cnc(CNC[C@H]2C=CCC2)s1 ZINC000883238089 591583511 /nfs/dbraw/zinc/58/35/11/591583511.db2.gz ROSMVMMFIOAJOB-NSHDSACASA-N 0 3 236.384 3.322 20 0 BGADHN Cc1nccnc1[C@H](C)N[C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000883244057 591584951 /nfs/dbraw/zinc/58/49/51/591584951.db2.gz DXQPRFOZAQPFOL-FQUUOJAGSA-N 0 3 245.370 3.014 20 0 BGADHN Cc1nccnc1[C@H](C)N[C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000883244058 591584601 /nfs/dbraw/zinc/58/46/01/591584601.db2.gz DXQPRFOZAQPFOL-IGQOVBAYSA-N 0 3 245.370 3.014 20 0 BGADHN Cc1nccnc1[C@@H](C)N[C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000883244059 591585098 /nfs/dbraw/zinc/58/50/98/591585098.db2.gz DXQPRFOZAQPFOL-MQYQWHSLSA-N 0 3 245.370 3.014 20 0 BGADHN Cc1nccnc1[C@@H](C)N[C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000883244060 591584389 /nfs/dbraw/zinc/58/43/89/591584389.db2.gz DXQPRFOZAQPFOL-YIYPIFLZSA-N 0 3 245.370 3.014 20 0 BGADHN C[C@@H](NC[C@@H]1C=CCC1)c1ccncc1Cl ZINC000883245502 591586335 /nfs/dbraw/zinc/58/63/35/591586335.db2.gz MYWVONHKRSEKIQ-GHMZBOCLSA-N 0 3 236.746 3.352 20 0 BGADHN C[C@@H](NC[C@H]1C=CCC1)c1ccncc1Cl ZINC000883245503 591586030 /nfs/dbraw/zinc/58/60/30/591586030.db2.gz MYWVONHKRSEKIQ-MNOVXSKESA-N 0 3 236.746 3.352 20 0 BGADHN C[C@H](NC[C@H]1C=CCC1)c1ccncc1Cl ZINC000883245504 591586013 /nfs/dbraw/zinc/58/60/13/591586013.db2.gz MYWVONHKRSEKIQ-QWRGUYRKSA-N 0 3 236.746 3.352 20 0 BGADHN C[C@H](NC[C@@H]1C=CCC1)c1ccncc1Cl ZINC000883245505 591586224 /nfs/dbraw/zinc/58/62/24/591586224.db2.gz MYWVONHKRSEKIQ-WDEREUQCSA-N 0 3 236.746 3.352 20 0 BGADHN C[C@@H](NC[C@@H]1C=CCC1)c1cc(O)ccc1F ZINC000883245715 591587483 /nfs/dbraw/zinc/58/74/83/591587483.db2.gz QEZZKAGVBUGSGQ-GHMZBOCLSA-N 0 3 235.302 3.148 20 0 BGADHN C[C@@H](NC[C@H]1C=CCC1)c1cc(O)ccc1F ZINC000883245716 591587327 /nfs/dbraw/zinc/58/73/27/591587327.db2.gz QEZZKAGVBUGSGQ-MNOVXSKESA-N 0 3 235.302 3.148 20 0 BGADHN C[C@H](NC[C@H]1C=CCC1)c1cc(O)ccc1F ZINC000883245717 591587354 /nfs/dbraw/zinc/58/73/54/591587354.db2.gz QEZZKAGVBUGSGQ-QWRGUYRKSA-N 0 3 235.302 3.148 20 0 BGADHN C[C@H](NC[C@@H]1C=CCC1)c1cc(O)ccc1F ZINC000883245718 591586807 /nfs/dbraw/zinc/58/68/07/591586807.db2.gz QEZZKAGVBUGSGQ-WDEREUQCSA-N 0 3 235.302 3.148 20 0 BGADHN C1=C[C@@H](CN[C@@H]2CCCc3scnc32)CC1 ZINC000883245749 591587161 /nfs/dbraw/zinc/58/71/61/591587161.db2.gz QRZQEGDGURYMFH-GHMZBOCLSA-N 0 3 234.368 3.076 20 0 BGADHN C1=C[C@@H](CN[C@H]2CCCc3scnc32)CC1 ZINC000883245750 591586968 /nfs/dbraw/zinc/58/69/68/591586968.db2.gz QRZQEGDGURYMFH-MNOVXSKESA-N 0 3 234.368 3.076 20 0 BGADHN C1=C[C@H](CN[C@H]2CCCc3scnc32)CC1 ZINC000883245751 591587293 /nfs/dbraw/zinc/58/72/93/591587293.db2.gz QRZQEGDGURYMFH-QWRGUYRKSA-N 0 3 234.368 3.076 20 0 BGADHN C1=C[C@H](CN[C@@H]2CCCc3scnc32)CC1 ZINC000883245752 591586731 /nfs/dbraw/zinc/58/67/31/591586731.db2.gz QRZQEGDGURYMFH-WDEREUQCSA-N 0 3 234.368 3.076 20 0 BGADHN C[C@@H]([NH2+]C[C@@H]1C=CCC1)c1cccc([O-])c1F ZINC000883245881 591587465 /nfs/dbraw/zinc/58/74/65/591587465.db2.gz UYKHRIZZUJKFAW-GHMZBOCLSA-N 0 3 235.302 3.148 20 0 BGADHN C[C@@H]([NH2+]C[C@H]1C=CCC1)c1cccc([O-])c1F ZINC000883245882 591587297 /nfs/dbraw/zinc/58/72/97/591587297.db2.gz UYKHRIZZUJKFAW-MNOVXSKESA-N 0 3 235.302 3.148 20 0 BGADHN C[C@H]([NH2+]C[C@H]1C=CCC1)c1cccc([O-])c1F ZINC000883245883 591587574 /nfs/dbraw/zinc/58/75/74/591587574.db2.gz UYKHRIZZUJKFAW-QWRGUYRKSA-N 0 3 235.302 3.148 20 0 BGADHN C[C@H]([NH2+]C[C@@H]1C=CCC1)c1cccc([O-])c1F ZINC000883245884 591587149 /nfs/dbraw/zinc/58/71/49/591587149.db2.gz UYKHRIZZUJKFAW-WDEREUQCSA-N 0 3 235.302 3.148 20 0 BGADHN Clc1ccc2c(n1)[C@H](NC[C@H]1C=CCC1)CC2 ZINC000883245945 591587259 /nfs/dbraw/zinc/58/72/59/591587259.db2.gz WHFLUDMAAUSQCJ-CMPLNLGQSA-N 0 3 248.757 3.278 20 0 BGADHN Clc1ccc2c(n1)[C@@H](NC[C@H]1C=CCC1)CC2 ZINC000883245946 591587264 /nfs/dbraw/zinc/58/72/64/591587264.db2.gz WHFLUDMAAUSQCJ-JQWIXIFHSA-N 0 3 248.757 3.278 20 0 BGADHN Clc1ccc2c(n1)[C@@H](NC[C@@H]1C=CCC1)CC2 ZINC000883245947 591587409 /nfs/dbraw/zinc/58/74/09/591587409.db2.gz WHFLUDMAAUSQCJ-PWSUYJOCSA-N 0 3 248.757 3.278 20 0 BGADHN Clc1ccc2c(n1)[C@H](NC[C@@H]1C=CCC1)CC2 ZINC000883245948 591587343 /nfs/dbraw/zinc/58/73/43/591587343.db2.gz WHFLUDMAAUSQCJ-ZYHUDNBSSA-N 0 3 248.757 3.278 20 0 BGADHN CCc1noc(C)c1[C@H](C)NC[C@@H]1C=CCC1 ZINC000883246844 591588468 /nfs/dbraw/zinc/58/84/68/591588468.db2.gz SWNBXANDYHKSFB-CMPLNLGQSA-N 0 3 234.343 3.162 20 0 BGADHN CCc1noc(C)c1[C@H](C)NC[C@H]1C=CCC1 ZINC000883246845 591588552 /nfs/dbraw/zinc/58/85/52/591588552.db2.gz SWNBXANDYHKSFB-JQWIXIFHSA-N 0 3 234.343 3.162 20 0 BGADHN CCc1noc(C)c1[C@@H](C)NC[C@H]1C=CCC1 ZINC000883246846 591588483 /nfs/dbraw/zinc/58/84/83/591588483.db2.gz SWNBXANDYHKSFB-PWSUYJOCSA-N 0 3 234.343 3.162 20 0 BGADHN CCc1noc(C)c1[C@@H](C)NC[C@@H]1C=CCC1 ZINC000883246847 591588145 /nfs/dbraw/zinc/58/81/45/591588145.db2.gz SWNBXANDYHKSFB-ZYHUDNBSSA-N 0 3 234.343 3.162 20 0 BGADHN C[C@@H](NC[C@@H]1C=CCC1)c1cccnc1Cl ZINC000883247113 591588119 /nfs/dbraw/zinc/58/81/19/591588119.db2.gz ZPOSBLAOSPREIA-GHMZBOCLSA-N 0 3 236.746 3.352 20 0 BGADHN C[C@@H](NC[C@H]1C=CCC1)c1cccnc1Cl ZINC000883247114 591588512 /nfs/dbraw/zinc/58/85/12/591588512.db2.gz ZPOSBLAOSPREIA-MNOVXSKESA-N 0 3 236.746 3.352 20 0 BGADHN C[C@H](NC[C@H]1C=CCC1)c1cccnc1Cl ZINC000883247115 591588152 /nfs/dbraw/zinc/58/81/52/591588152.db2.gz ZPOSBLAOSPREIA-QWRGUYRKSA-N 0 3 236.746 3.352 20 0 BGADHN C[C@H](NC[C@@H]1C=CCC1)c1cccnc1Cl ZINC000883247116 591587977 /nfs/dbraw/zinc/58/79/77/591587977.db2.gz ZPOSBLAOSPREIA-WDEREUQCSA-N 0 3 236.746 3.352 20 0 BGADHN CC(C)c1c[nH]c(CNCC2(CC3CC3)CC2)n1 ZINC000883247901 591590043 /nfs/dbraw/zinc/59/00/43/591590043.db2.gz AGOMBUIZEKCKIK-UHFFFAOYSA-N 0 3 247.386 3.203 20 0 BGADHN CC(C)n1ccnc1CNCC1(CC2CC2)CC1 ZINC000883248026 591589446 /nfs/dbraw/zinc/58/94/46/591589446.db2.gz FQTKRFBXGBSUSV-UHFFFAOYSA-N 0 3 247.386 3.134 20 0 BGADHN Cc1cc(CNCC2(CC3CC3)CC2)sn1 ZINC000883248091 591590196 /nfs/dbraw/zinc/59/01/96/591590196.db2.gz HGQMGYHRNLZSPU-UHFFFAOYSA-N 0 3 236.384 3.121 20 0 BGADHN c1nc(C2CC2)oc1CNCC1(CC2CC2)CC1 ZINC000883248148 591589194 /nfs/dbraw/zinc/58/91/94/591589194.db2.gz JDMDYXYLQLIBNQ-UHFFFAOYSA-N 0 3 246.354 3.222 20 0 BGADHN Cc1cnc(CNCC2(CC3CC3)CC2)s1 ZINC000883248650 591589413 /nfs/dbraw/zinc/58/94/13/591589413.db2.gz AUXLXLSNAUVJGT-UHFFFAOYSA-N 0 3 236.384 3.121 20 0 BGADHN CC(C)n1nccc1CNCC1(CC2CC2)CC1 ZINC000883248818 591589177 /nfs/dbraw/zinc/58/91/77/591589177.db2.gz HJTIXCPPHWVBLF-UHFFFAOYSA-N 0 3 247.386 3.134 20 0 BGADHN Cc1csc(CNCC2(CC3CC3)CC2)n1 ZINC000883249268 591589310 /nfs/dbraw/zinc/58/93/10/591589310.db2.gz AIRIFPHVKZQGSW-UHFFFAOYSA-N 0 3 236.384 3.121 20 0 BGADHN Cc1nc(CNCC2(CC3CC3)CC2)cs1 ZINC000883249468 591591768 /nfs/dbraw/zinc/59/17/68/591591768.db2.gz GTXIVJUFDFLUEM-UHFFFAOYSA-N 0 3 236.384 3.121 20 0 BGADHN COCc1ccc(CNCC2(CC3CC3)CC2)o1 ZINC000883249469 591590643 /nfs/dbraw/zinc/59/06/43/591590643.db2.gz GYJLOKRBAQMJEM-UHFFFAOYSA-N 0 3 249.354 3.096 20 0 BGADHN Cc1ccc(CNCC2(CC3CC3)CC2)nc1 ZINC000883249962 591591382 /nfs/dbraw/zinc/59/13/82/591591382.db2.gz WGRGNQDVAHXHNH-UHFFFAOYSA-N 0 3 230.355 3.060 20 0 BGADHN CCC[C@@H](C)CCNCc1cn(C2CC2)cn1 ZINC000883250630 591591574 /nfs/dbraw/zinc/59/15/74/591591574.db2.gz GZXAEBRNZVJCEX-GFCCVEGCSA-N 0 3 235.375 3.134 20 0 BGADHN CCC[C@H](C)CCNCc1cn(C2CC2)cn1 ZINC000883250631 591591229 /nfs/dbraw/zinc/59/12/29/591591229.db2.gz GZXAEBRNZVJCEX-LBPRGKRZSA-N 0 3 235.375 3.134 20 0 BGADHN CCC[C@H](C)CCNCc1ccns1 ZINC000883250635 591591038 /nfs/dbraw/zinc/59/10/38/591591038.db2.gz HEKQFJYRWRERQK-JTQLQIEISA-N 0 3 212.362 3.059 20 0 BGADHN CCC[C@@H](C)CCNCc1ccns1 ZINC000883250636 591591746 /nfs/dbraw/zinc/59/17/46/591591746.db2.gz HEKQFJYRWRERQK-SNVBAGLBSA-N 0 3 212.362 3.059 20 0 BGADHN CCC[C@H](C)CCNCc1ncc(C)s1 ZINC000883250662 591591757 /nfs/dbraw/zinc/59/17/57/591591757.db2.gz IOQRXKACGNEVGQ-JTQLQIEISA-N 0 3 226.389 3.367 20 0 BGADHN CCC[C@@H](C)CCNCc1ncc(C)s1 ZINC000883250663 591591102 /nfs/dbraw/zinc/59/11/02/591591102.db2.gz IOQRXKACGNEVGQ-SNVBAGLBSA-N 0 3 226.389 3.367 20 0 BGADHN CCC[C@@H](C)CCNCc1ccncc1F ZINC000883250866 591591514 /nfs/dbraw/zinc/59/15/14/591591514.db2.gz RHXDZPIQEGVIOU-LLVKDONJSA-N 0 3 224.323 3.137 20 0 BGADHN CCC[C@H](C)CCNCc1ccncc1F ZINC000883250867 591590601 /nfs/dbraw/zinc/59/06/01/591590601.db2.gz RHXDZPIQEGVIOU-NSHDSACASA-N 0 3 224.323 3.137 20 0 BGADHN CCC[C@@H](C)CCNCc1cnc(C2CC2)o1 ZINC000883250898 591591157 /nfs/dbraw/zinc/59/11/57/591591157.db2.gz SZOFTYKKVXKHLU-LLVKDONJSA-N 0 3 236.359 3.468 20 0 BGADHN CCC[C@H](C)CCNCc1cnc(C2CC2)o1 ZINC000883250899 591590649 /nfs/dbraw/zinc/59/06/49/591590649.db2.gz SZOFTYKKVXKHLU-NSHDSACASA-N 0 3 236.359 3.468 20 0 BGADHN CCC[C@H](C)CCNCc1cc(OC)ns1 ZINC000883250981 591590790 /nfs/dbraw/zinc/59/07/90/591590790.db2.gz XMKBJXGGOZZOLP-JTQLQIEISA-N 0 3 242.388 3.068 20 0 BGADHN CCC[C@@H](C)CCNCc1cc(OC)ns1 ZINC000883250982 591591253 /nfs/dbraw/zinc/59/12/53/591591253.db2.gz XMKBJXGGOZZOLP-SNVBAGLBSA-N 0 3 242.388 3.068 20 0 BGADHN CCC[C@@H](C)CCNCc1nccn1C(C)C ZINC000883251009 591590631 /nfs/dbraw/zinc/59/06/31/591590631.db2.gz YHADXFALOQRWPK-CYBMUJFWSA-N 0 3 237.391 3.380 20 0 BGADHN CCC[C@H](C)CCNCc1nccn1C(C)C ZINC000883251010 591590737 /nfs/dbraw/zinc/59/07/37/591590737.db2.gz YHADXFALOQRWPK-ZDUSSCGKSA-N 0 3 237.391 3.380 20 0 BGADHN CCC[C@@H](C)CCNCc1cnc(C2CC2)nc1 ZINC000883251026 591590729 /nfs/dbraw/zinc/59/07/29/591590729.db2.gz YYBZFXSGELTSRB-GFCCVEGCSA-N 0 3 247.386 3.270 20 0 BGADHN CCC[C@H](C)CCNCc1cnc(C2CC2)nc1 ZINC000883251027 591591482 /nfs/dbraw/zinc/59/14/82/591591482.db2.gz YYBZFXSGELTSRB-LBPRGKRZSA-N 0 3 247.386 3.270 20 0 BGADHN CCC[C@@H](C)CCNCc1conc1CC ZINC000883251090 591591586 /nfs/dbraw/zinc/59/15/86/591591586.db2.gz BHYLMUNHAJYTAT-LLVKDONJSA-N 0 3 224.348 3.153 20 0 BGADHN CCC[C@H](C)CCNCc1conc1CC ZINC000883251091 591591643 /nfs/dbraw/zinc/59/16/43/591591643.db2.gz BHYLMUNHAJYTAT-NSHDSACASA-N 0 3 224.348 3.153 20 0 BGADHN Cc1cnc(CNCC(C)(C)CC(F)F)s1 ZINC000883251111 591591610 /nfs/dbraw/zinc/59/16/10/591591610.db2.gz CAWBUDSIJRBTBI-UHFFFAOYSA-N 0 3 248.342 3.223 20 0 BGADHN CCC[C@H](C)CCNCc1oc(C)nc1C ZINC000883251162 591593030 /nfs/dbraw/zinc/59/30/30/591593030.db2.gz FQVJATSYYNSOSL-JTQLQIEISA-N 0 3 224.348 3.207 20 0 BGADHN CCC[C@@H](C)CCNCc1oc(C)nc1C ZINC000883251163 591592715 /nfs/dbraw/zinc/59/27/15/591592715.db2.gz FQVJATSYYNSOSL-SNVBAGLBSA-N 0 3 224.348 3.207 20 0 BGADHN CCc1nocc1CNCC(C)(C)CC(F)F ZINC000883251323 591592930 /nfs/dbraw/zinc/59/29/30/591592930.db2.gz KUVMSJWIZQYDNY-UHFFFAOYSA-N 0 3 246.301 3.008 20 0 BGADHN CCC[C@H](C)CCNCc1cscn1 ZINC000883251380 591592640 /nfs/dbraw/zinc/59/26/40/591592640.db2.gz MKBHQZQDVMNHQN-JTQLQIEISA-N 0 3 212.362 3.059 20 0 BGADHN CCC[C@@H](C)CCNCc1cscn1 ZINC000883251381 591587178 /nfs/dbraw/zinc/58/71/78/591587178.db2.gz MKBHQZQDVMNHQN-SNVBAGLBSA-N 0 3 212.362 3.059 20 0 BGADHN CCC[C@H](C)CCNCc1nccs1 ZINC000883251389 591592793 /nfs/dbraw/zinc/59/27/93/591592793.db2.gz MUDYRCFXPRMIKY-JTQLQIEISA-N 0 3 212.362 3.059 20 0 BGADHN CCC[C@@H](C)CCNCc1nccs1 ZINC000883251390 591592332 /nfs/dbraw/zinc/59/23/32/591592332.db2.gz MUDYRCFXPRMIKY-SNVBAGLBSA-N 0 3 212.362 3.059 20 0 BGADHN CCC[C@H](C)CCNCc1c(C)noc1C ZINC000883251391 591592786 /nfs/dbraw/zinc/59/27/86/591592786.db2.gz MVJFJRKZLZWIHY-JTQLQIEISA-N 0 3 224.348 3.207 20 0 BGADHN CCC[C@@H](C)CCNCc1c(C)noc1C ZINC000883251392 591592682 /nfs/dbraw/zinc/59/26/82/591592682.db2.gz MVJFJRKZLZWIHY-SNVBAGLBSA-N 0 3 224.348 3.207 20 0 BGADHN CCC[C@H](C)CCNCc1csc(C)n1 ZINC000883251541 591593102 /nfs/dbraw/zinc/59/31/02/591593102.db2.gz TWVAEVAAGMOXLL-JTQLQIEISA-N 0 3 226.389 3.367 20 0 BGADHN CCC[C@@H](C)CCNCc1csc(C)n1 ZINC000883251542 591592973 /nfs/dbraw/zinc/59/29/73/591592973.db2.gz TWVAEVAAGMOXLL-SNVBAGLBSA-N 0 3 226.389 3.367 20 0 BGADHN CCC[C@H](C)CCNCc1cncs1 ZINC000883251602 591592981 /nfs/dbraw/zinc/59/29/81/591592981.db2.gz VTKDMILGLYNTLJ-JTQLQIEISA-N 0 3 212.362 3.059 20 0 BGADHN CCC[C@@H](C)CCNCc1cncs1 ZINC000883251603 591592473 /nfs/dbraw/zinc/59/24/73/591592473.db2.gz VTKDMILGLYNTLJ-SNVBAGLBSA-N 0 3 212.362 3.059 20 0 BGADHN CCC[C@H](C)CCNCc1nc(C)cs1 ZINC000883251675 591592821 /nfs/dbraw/zinc/59/28/21/591592821.db2.gz XYUUINACPDVDLE-JTQLQIEISA-N 0 3 226.389 3.367 20 0 BGADHN CCC[C@@H](C)CCNCc1nc(C)cs1 ZINC000883251676 591592400 /nfs/dbraw/zinc/59/24/00/591592400.db2.gz XYUUINACPDVDLE-SNVBAGLBSA-N 0 3 226.389 3.367 20 0 BGADHN CC1(C)C[C@@]1(C)CNCc1cnc(C2CC2)o1 ZINC000883252670 591593046 /nfs/dbraw/zinc/59/30/46/591593046.db2.gz SNDBPDCGZVTKBO-AWEZNQCLSA-N 0 3 234.343 3.078 20 0 BGADHN CC1(C)C[C@]1(C)CNCc1cnc(C2CC2)o1 ZINC000883252671 591592240 /nfs/dbraw/zinc/59/22/40/591592240.db2.gz SNDBPDCGZVTKBO-CQSZACIVSA-N 0 3 234.343 3.078 20 0 BGADHN CC(C)c1c[nH]c(CNC[C@]2(C)CC2(C)C)n1 ZINC000883252765 591593996 /nfs/dbraw/zinc/59/39/96/591593996.db2.gz XRHCODBPYTWHHW-AWEZNQCLSA-N 0 3 235.375 3.059 20 0 BGADHN CC(C)c1c[nH]c(CNC[C@@]2(C)CC2(C)C)n1 ZINC000883252766 591593816 /nfs/dbraw/zinc/59/38/16/591593816.db2.gz XRHCODBPYTWHHW-CQSZACIVSA-N 0 3 235.375 3.059 20 0 BGADHN C[C@@H](NCC1(CC2CC2)CC1)c1ccccn1 ZINC000883252866 591593834 /nfs/dbraw/zinc/59/38/34/591593834.db2.gz BLNBKSIBMUCHND-GFCCVEGCSA-N 0 3 230.355 3.313 20 0 BGADHN C[C@H](NCC1(CC2CC2)CC1)c1ccccn1 ZINC000883252867 583765410 /nfs/dbraw/zinc/76/54/10/583765410.db2.gz BLNBKSIBMUCHND-LBPRGKRZSA-N 0 3 230.355 3.313 20 0 BGADHN CC[C@@H](NCC1(CC2CC2)CC1)c1nccn1C ZINC000883253017 591594026 /nfs/dbraw/zinc/59/40/26/591594026.db2.gz GLLLRUSJNIVVKG-CYBMUJFWSA-N 0 3 247.386 3.041 20 0 BGADHN CC[C@H](NCC1(CC2CC2)CC1)c1nccn1C ZINC000883253018 591593557 /nfs/dbraw/zinc/59/35/57/591593557.db2.gz GLLLRUSJNIVVKG-ZDUSSCGKSA-N 0 3 247.386 3.041 20 0 BGADHN C[C@H](NCC1(CC2CC2)CC1)c1cscn1 ZINC000883253158 591593443 /nfs/dbraw/zinc/59/34/43/591593443.db2.gz KHZUBPOZSSFVLP-JTQLQIEISA-N 0 3 236.384 3.374 20 0 BGADHN C[C@@H](NCC1(CC2CC2)CC1)c1cscn1 ZINC000883253159 591594208 /nfs/dbraw/zinc/59/42/08/591594208.db2.gz KHZUBPOZSSFVLP-SNVBAGLBSA-N 0 3 236.384 3.374 20 0 BGADHN C[C@H](NCC1(CC2CC2)CC1)c1cncs1 ZINC000883253338 591593381 /nfs/dbraw/zinc/59/33/81/591593381.db2.gz PCQYDIUOQDPUMT-JTQLQIEISA-N 0 3 236.384 3.374 20 0 BGADHN C[C@@H](NCC1(CC2CC2)CC1)c1cncs1 ZINC000883253339 591594192 /nfs/dbraw/zinc/59/41/92/591594192.db2.gz PCQYDIUOQDPUMT-SNVBAGLBSA-N 0 3 236.384 3.374 20 0 BGADHN C[C@@H](NCC1(CC2CC2)CC1)c1ccc(F)cn1 ZINC000883253424 591594018 /nfs/dbraw/zinc/59/40/18/591594018.db2.gz RMUPKIFECGAFDA-LLVKDONJSA-N 0 3 248.345 3.452 20 0 BGADHN C[C@H](NCC1(CC2CC2)CC1)c1ccc(F)cn1 ZINC000883253425 591594234 /nfs/dbraw/zinc/59/42/34/591594234.db2.gz RMUPKIFECGAFDA-NSHDSACASA-N 0 3 248.345 3.452 20 0 BGADHN C[C@H](NCC1(CC2CC2)CC1)c1nccs1 ZINC000883253479 591593745 /nfs/dbraw/zinc/59/37/45/591593745.db2.gz SKZPNNDVLMGNBD-JTQLQIEISA-N 0 3 236.384 3.374 20 0 BGADHN C[C@@H](NCC1(CC2CC2)CC1)c1nccs1 ZINC000883253480 591593521 /nfs/dbraw/zinc/59/35/21/591593521.db2.gz SKZPNNDVLMGNBD-SNVBAGLBSA-N 0 3 236.384 3.374 20 0 BGADHN Cc1nccnc1[C@@H](C)NCC1(CC2CC2)CC1 ZINC000883253546 591593888 /nfs/dbraw/zinc/59/38/88/591593888.db2.gz UYZWGVJCQBPNNI-GFCCVEGCSA-N 0 3 245.370 3.016 20 0 BGADHN Cc1nccnc1[C@H](C)NCC1(CC2CC2)CC1 ZINC000883253547 591594179 /nfs/dbraw/zinc/59/41/79/591594179.db2.gz UYZWGVJCQBPNNI-LBPRGKRZSA-N 0 3 245.370 3.016 20 0 BGADHN C[C@H]1C[C@H](NCC2(CC3CC3)CC2)c2nccn21 ZINC000883253904 591593872 /nfs/dbraw/zinc/59/38/72/591593872.db2.gz FFJIJDMHRAVWCX-AAEUAGOBSA-N 0 3 245.370 3.059 20 0 BGADHN C[C@@H]1C[C@@H](NCC2(CC3CC3)CC2)c2nccn21 ZINC000883253905 591593364 /nfs/dbraw/zinc/59/33/64/591593364.db2.gz FFJIJDMHRAVWCX-DGCLKSJQSA-N 0 3 245.370 3.059 20 0 BGADHN C[C@H]1C[C@@H](NCC2(CC3CC3)CC2)c2nccn21 ZINC000883253906 591594246 /nfs/dbraw/zinc/59/42/46/591594246.db2.gz FFJIJDMHRAVWCX-WCQYABFASA-N 0 3 245.370 3.059 20 0 BGADHN C[C@@H]1C[C@H](NCC2(CC3CC3)CC2)c2nccn21 ZINC000883253907 591593598 /nfs/dbraw/zinc/59/35/98/591593598.db2.gz FFJIJDMHRAVWCX-YPMHNXCESA-N 0 3 245.370 3.059 20 0 BGADHN CCn1ccnc1[C@@H](C)NCC1(CC2CC2)CC1 ZINC000883254247 591594082 /nfs/dbraw/zinc/59/40/82/591594082.db2.gz NVYBDZXAQFUBHE-GFCCVEGCSA-N 0 3 247.386 3.134 20 0 BGADHN CCn1ccnc1[C@H](C)NCC1(CC2CC2)CC1 ZINC000883254248 591593509 /nfs/dbraw/zinc/59/35/09/591593509.db2.gz NVYBDZXAQFUBHE-LBPRGKRZSA-N 0 3 247.386 3.134 20 0 BGADHN Cc1ncncc1[C@@H](C)NCC1(CC2CC2)CC1 ZINC000883254633 591593928 /nfs/dbraw/zinc/59/39/28/591593928.db2.gz YBUVUSDRKFQGNN-LLVKDONJSA-N 0 3 245.370 3.016 20 0 BGADHN Cc1ncncc1[C@H](C)NCC1(CC2CC2)CC1 ZINC000883254634 591593981 /nfs/dbraw/zinc/59/39/81/591593981.db2.gz YBUVUSDRKFQGNN-NSHDSACASA-N 0 3 245.370 3.016 20 0 BGADHN CCC[C@@H](C)CCN[C@H](C)c1cc2n(n1)CCC2 ZINC000883257446 591594805 /nfs/dbraw/zinc/59/48/05/591594805.db2.gz BFQUJMACSXGNGU-CHWSQXEVSA-N 0 3 249.402 3.306 20 0 BGADHN CCC[C@@H](C)CCN[C@@H](C)c1cc2n(n1)CCC2 ZINC000883257447 591595223 /nfs/dbraw/zinc/59/52/23/591595223.db2.gz BFQUJMACSXGNGU-OLZOCXBDSA-N 0 3 249.402 3.306 20 0 BGADHN CCC[C@H](C)CCN[C@H](C)c1cc2n(n1)CCC2 ZINC000883257448 591595210 /nfs/dbraw/zinc/59/52/10/591595210.db2.gz BFQUJMACSXGNGU-QWHCGFSZSA-N 0 3 249.402 3.306 20 0 BGADHN CCC[C@H](C)CCN[C@@H](C)c1cc2n(n1)CCC2 ZINC000883257449 591595047 /nfs/dbraw/zinc/59/50/47/591595047.db2.gz BFQUJMACSXGNGU-STQMWFEESA-N 0 3 249.402 3.306 20 0 BGADHN CCC[C@H](C)CCN[C@@H](c1nccn1C)C1CC1 ZINC000883257515 591595289 /nfs/dbraw/zinc/59/52/89/591595289.db2.gz DHDWNXGXNGPZHX-GXTWGEPZSA-N 0 3 249.402 3.287 20 0 BGADHN CCC[C@H](C)CCN[C@H](c1nccn1C)C1CC1 ZINC000883257516 591595276 /nfs/dbraw/zinc/59/52/76/591595276.db2.gz DHDWNXGXNGPZHX-JSGCOSHPSA-N 0 3 249.402 3.287 20 0 BGADHN CCC[C@@H](C)CCN[C@H](c1nccn1C)C1CC1 ZINC000883257517 591594513 /nfs/dbraw/zinc/59/45/13/591594513.db2.gz DHDWNXGXNGPZHX-OCCSQVGLSA-N 0 3 249.402 3.287 20 0 BGADHN CCC[C@@H](C)CCN[C@@H](c1nccn1C)C1CC1 ZINC000883257518 591595294 /nfs/dbraw/zinc/59/52/94/591595294.db2.gz DHDWNXGXNGPZHX-TZMCWYRMSA-N 0 3 249.402 3.287 20 0 BGADHN COc1ccc(C2CC2)cc1CNCC1(C)CC1 ZINC000883257713 591595127 /nfs/dbraw/zinc/59/51/27/591595127.db2.gz IPXMMSBDXDPXSH-UHFFFAOYSA-N 0 3 245.366 3.462 20 0 BGADHN CCC[C@H](C)CCN[C@H]1C[C@H](C)n2ccnc21 ZINC000883257902 591596694 /nfs/dbraw/zinc/59/66/94/591596694.db2.gz NDGIQMQQMKBTHK-AVGNSLFASA-N 0 3 235.375 3.305 20 0 BGADHN CCC[C@H](C)CCN[C@@H]1C[C@H](C)n2ccnc21 ZINC000883257903 591596104 /nfs/dbraw/zinc/59/61/04/591596104.db2.gz NDGIQMQQMKBTHK-RWMBFGLXSA-N 0 3 235.375 3.305 20 0 BGADHN CCC[C@H](C)CCN[C@H]1C[C@@H](C)n2ccnc21 ZINC000883257904 711781779 /nfs/dbraw/zinc/78/17/79/711781779.db2.gz NDGIQMQQMKBTHK-XQQFMLRXSA-N 0 3 235.375 3.305 20 0 BGADHN CCC[C@H](C)CCN[C@@H]1C[C@@H](C)n2ccnc21 ZINC000883257905 711781810 /nfs/dbraw/zinc/78/18/10/711781810.db2.gz NDGIQMQQMKBTHK-YNEHKIRRSA-N 0 3 235.375 3.305 20 0 BGADHN CCC[C@@H](C)CCN[C@H](C)c1nccn1CC ZINC000883258055 591595730 /nfs/dbraw/zinc/59/57/30/591595730.db2.gz QLLWQXMGGPXVBZ-CHWSQXEVSA-N 0 3 237.391 3.380 20 0 BGADHN CCC[C@@H](C)CCN[C@@H](C)c1nccn1CC ZINC000883258056 591595854 /nfs/dbraw/zinc/59/58/54/591595854.db2.gz QLLWQXMGGPXVBZ-OLZOCXBDSA-N 0 3 237.391 3.380 20 0 BGADHN CCC[C@H](C)CCN[C@H](C)c1nccn1CC ZINC000883258057 591596333 /nfs/dbraw/zinc/59/63/33/591596333.db2.gz QLLWQXMGGPXVBZ-QWHCGFSZSA-N 0 3 237.391 3.380 20 0 BGADHN CCC[C@H](C)CCN[C@@H](C)c1nccn1CC ZINC000883258058 591595710 /nfs/dbraw/zinc/59/57/10/591595710.db2.gz QLLWQXMGGPXVBZ-STQMWFEESA-N 0 3 237.391 3.380 20 0 BGADHN CCC[C@@H](C)CCN[C@H](CC)c1nccn1C ZINC000883258277 591596427 /nfs/dbraw/zinc/59/64/27/591596427.db2.gz WGHDSWNXEPOHBB-CHWSQXEVSA-N 0 3 237.391 3.287 20 0 BGADHN CCC[C@@H](C)CCN[C@@H](CC)c1nccn1C ZINC000883258278 591595637 /nfs/dbraw/zinc/59/56/37/591595637.db2.gz WGHDSWNXEPOHBB-OLZOCXBDSA-N 0 3 237.391 3.287 20 0 BGADHN CCC[C@H](C)CCN[C@H](CC)c1nccn1C ZINC000883258279 591595199 /nfs/dbraw/zinc/59/51/99/591595199.db2.gz WGHDSWNXEPOHBB-QWHCGFSZSA-N 0 3 237.391 3.287 20 0 BGADHN CCC[C@H](C)CCN[C@@H](CC)c1nccn1C ZINC000883258280 591594736 /nfs/dbraw/zinc/59/47/36/591594736.db2.gz WGHDSWNXEPOHBB-STQMWFEESA-N 0 3 237.391 3.287 20 0 BGADHN CCC[C@H](C)CCN[C@@H](C)c1cc(C)n(C)n1 ZINC000883258287 591596670 /nfs/dbraw/zinc/59/66/70/591596670.db2.gz WJQVMLJNTUTUGU-AAEUAGOBSA-N 0 3 237.391 3.205 20 0 BGADHN CCC[C@@H](C)CCN[C@H](C)c1cc(C)n(C)n1 ZINC000883258288 591596190 /nfs/dbraw/zinc/59/61/90/591596190.db2.gz WJQVMLJNTUTUGU-DGCLKSJQSA-N 0 3 237.391 3.205 20 0 BGADHN CCC[C@H](C)CCN[C@H](C)c1cc(C)n(C)n1 ZINC000883258289 591596276 /nfs/dbraw/zinc/59/62/76/591596276.db2.gz WJQVMLJNTUTUGU-WCQYABFASA-N 0 3 237.391 3.205 20 0 BGADHN CCC[C@@H](C)CCN[C@@H](C)c1cc(C)n(C)n1 ZINC000883258290 591596146 /nfs/dbraw/zinc/59/61/46/591596146.db2.gz WJQVMLJNTUTUGU-YPMHNXCESA-N 0 3 237.391 3.205 20 0 BGADHN CCC[C@H](C)CCN[C@H](C)c1cc(C)on1 ZINC000883258294 591596203 /nfs/dbraw/zinc/59/62/03/591596203.db2.gz WLLKAUQKTDELLS-CMPLNLGQSA-N 0 3 224.348 3.460 20 0 BGADHN CCC[C@H](C)CCN[C@@H](C)c1cc(C)on1 ZINC000883258295 591595724 /nfs/dbraw/zinc/59/57/24/591595724.db2.gz WLLKAUQKTDELLS-JQWIXIFHSA-N 0 3 224.348 3.460 20 0 BGADHN CCC[C@@H](C)CCN[C@@H](C)c1cc(C)on1 ZINC000883258296 591594764 /nfs/dbraw/zinc/59/47/64/591594764.db2.gz WLLKAUQKTDELLS-PWSUYJOCSA-N 0 3 224.348 3.460 20 0 BGADHN CCC[C@@H](C)CCN[C@H](C)c1cc(C)on1 ZINC000883258297 591594776 /nfs/dbraw/zinc/59/47/76/591594776.db2.gz WLLKAUQKTDELLS-ZYHUDNBSSA-N 0 3 224.348 3.460 20 0 BGADHN CCC[C@@H](C)CCN[C@@H](C)c1nccnc1C ZINC000883258338 591596641 /nfs/dbraw/zinc/59/66/41/591596641.db2.gz XOBGTTMCRTVCCS-NEPJUHHUSA-N 0 3 235.375 3.262 20 0 BGADHN CCC[C@H](C)CCN[C@H](C)c1nccnc1C ZINC000883258339 591596511 /nfs/dbraw/zinc/59/65/11/591596511.db2.gz XOBGTTMCRTVCCS-NWDGAFQWSA-N 0 3 235.375 3.262 20 0 BGADHN CCC[C@H](C)CCN[C@@H](C)c1nccnc1C ZINC000883258340 591596488 /nfs/dbraw/zinc/59/64/88/591596488.db2.gz XOBGTTMCRTVCCS-RYUDHWBXSA-N 0 3 235.375 3.262 20 0 BGADHN CCC[C@@H](C)CCN[C@H](C)c1nccnc1C ZINC000883258341 591596238 /nfs/dbraw/zinc/59/62/38/591596238.db2.gz XOBGTTMCRTVCCS-VXGBXAGGSA-N 0 3 235.375 3.262 20 0 BGADHN CCC[C@@H](C)CCN[C@@H]1CCCn2ccnc21 ZINC000883258404 591596051 /nfs/dbraw/zinc/59/60/51/591596051.db2.gz ZRJYXZDGFJVFQW-CHWSQXEVSA-N 0 3 235.375 3.134 20 0 BGADHN CCC[C@@H](C)CCN[C@H]1CCCn2ccnc21 ZINC000883258405 591596623 /nfs/dbraw/zinc/59/66/23/591596623.db2.gz ZRJYXZDGFJVFQW-OLZOCXBDSA-N 0 3 235.375 3.134 20 0 BGADHN CCC[C@H](C)CCN[C@@H]1CCCn2ccnc21 ZINC000883258406 591596285 /nfs/dbraw/zinc/59/62/85/591596285.db2.gz ZRJYXZDGFJVFQW-QWHCGFSZSA-N 0 3 235.375 3.134 20 0 BGADHN CCC[C@H](C)CCN[C@H]1CCCn2ccnc21 ZINC000883258407 591596121 /nfs/dbraw/zinc/59/61/21/591596121.db2.gz ZRJYXZDGFJVFQW-STQMWFEESA-N 0 3 235.375 3.134 20 0 BGADHN C[C@@H](NCC(C)(C)CC(F)F)c1cscn1 ZINC000883259081 591596393 /nfs/dbraw/zinc/59/63/93/591596393.db2.gz AUZWTCMDGUDCAW-MRVPVSSYSA-N 0 3 248.342 3.475 20 0 BGADHN C[C@H](NCC(C)(C)CC(F)F)c1cscn1 ZINC000883259082 591596366 /nfs/dbraw/zinc/59/63/66/591596366.db2.gz AUZWTCMDGUDCAW-QMMMGPOBSA-N 0 3 248.342 3.475 20 0 BGADHN C=C/C=C\CCNCc1cnc(Cl)c(F)c1 ZINC000883259234 591597559 /nfs/dbraw/zinc/59/75/59/591597559.db2.gz HANQYDVUPCURNY-ARJAWSKDSA-N 0 3 240.709 3.096 20 0 BGADHN C=C/C=C/CCNCc1cnc(Cl)c(F)c1 ZINC000883259235 591597796 /nfs/dbraw/zinc/59/77/96/591597796.db2.gz HANQYDVUPCURNY-ONEGZZNKSA-N 0 3 240.709 3.096 20 0 BGADHN Cc1cc([C@@H](C)NCC(C)(C)CC(F)F)no1 ZINC000883259404 591597890 /nfs/dbraw/zinc/59/78/90/591597890.db2.gz LVGVCMJFJAMMQH-SECBINFHSA-N 0 3 246.301 3.315 20 0 BGADHN Cc1cc([C@H](C)NCC(C)(C)CC(F)F)no1 ZINC000883259405 591597816 /nfs/dbraw/zinc/59/78/16/591597816.db2.gz LVGVCMJFJAMMQH-VIFPVBQESA-N 0 3 246.301 3.315 20 0 BGADHN C=C/C=C\CCNCc1cc(OC)ccc1F ZINC000883259949 591597606 /nfs/dbraw/zinc/59/76/06/591597606.db2.gz FUCZENQDPMRFMB-PLNGDYQASA-N 0 3 235.302 3.056 20 0 BGADHN C=C/C=C/CCNCc1cc(OC)ccc1F ZINC000883259950 591597135 /nfs/dbraw/zinc/59/71/35/591597135.db2.gz FUCZENQDPMRFMB-SNAWJCMRSA-N 0 3 235.302 3.056 20 0 BGADHN C=C/C=C\CCNCc1scnc1C1CC1 ZINC000883260183 591597824 /nfs/dbraw/zinc/59/78/24/591597824.db2.gz MJKTVJOYYAFADV-ARJAWSKDSA-N 0 3 234.368 3.242 20 0 BGADHN C=C/C=C/CCNCc1scnc1C1CC1 ZINC000883260184 591597658 /nfs/dbraw/zinc/59/76/58/591597658.db2.gz MJKTVJOYYAFADV-ONEGZZNKSA-N 0 3 234.368 3.242 20 0 BGADHN C=C/C=C/CCNCc1cc(C)oc1C ZINC000883260331 591597877 /nfs/dbraw/zinc/59/78/77/591597877.db2.gz QQOBZGWOHAIFOF-AATRIKPKSA-N 0 3 205.301 3.118 20 0 BGADHN C=C/C=C\CCNCc1cc(C)oc1C ZINC000883260332 591597948 /nfs/dbraw/zinc/59/79/48/591597948.db2.gz QQOBZGWOHAIFOF-WAYWQWQTSA-N 0 3 205.301 3.118 20 0 BGADHN C=C/C=C/CCNCc1ncc(C(C)C)s1 ZINC000883260379 591596438 /nfs/dbraw/zinc/59/64/38/591596438.db2.gz SFQJHKYXLDEQDK-AATRIKPKSA-N 0 3 236.384 3.488 20 0 BGADHN C=C/C=C\CCNCc1ncc(C(C)C)s1 ZINC000883260380 591596567 /nfs/dbraw/zinc/59/65/67/591596567.db2.gz SFQJHKYXLDEQDK-WAYWQWQTSA-N 0 3 236.384 3.488 20 0 BGADHN C=C/C=C\CCNCc1ccc(SC)o1 ZINC000883260381 591597158 /nfs/dbraw/zinc/59/71/58/591597158.db2.gz SGBWAEBFTCUESR-PLNGDYQASA-N 0 3 223.341 3.223 20 0 BGADHN C=C/C=C/CCNCc1ccc(SC)o1 ZINC000883260382 591596978 /nfs/dbraw/zinc/59/69/78/591596978.db2.gz SGBWAEBFTCUESR-SNAWJCMRSA-N 0 3 223.341 3.223 20 0 BGADHN C=C/C=C\CCNCc1cnc(C2CC2)s1 ZINC000883260762 591598562 /nfs/dbraw/zinc/59/85/62/591598562.db2.gz GSSLYMUJEPRMLR-ARJAWSKDSA-N 0 3 234.368 3.242 20 0 BGADHN C=C/C=C/CCNCc1cnc(C2CC2)s1 ZINC000883260763 591599027 /nfs/dbraw/zinc/59/90/27/591599027.db2.gz GSSLYMUJEPRMLR-ONEGZZNKSA-N 0 3 234.368 3.242 20 0 BGADHN C=C/C=C/CCNCc1cnc(C(C)C)s1 ZINC000883261308 591598524 /nfs/dbraw/zinc/59/85/24/591598524.db2.gz XYMSKMYNSXOVCS-AATRIKPKSA-N 0 3 236.384 3.488 20 0 BGADHN C=C/C=C\CCNCc1cnc(C(C)C)s1 ZINC000883261309 591598608 /nfs/dbraw/zinc/59/86/08/591598608.db2.gz XYMSKMYNSXOVCS-WAYWQWQTSA-N 0 3 236.384 3.488 20 0 BGADHN FC1(F)CCC[C@@H]1CCNCc1ccns1 ZINC000883264578 591600131 /nfs/dbraw/zinc/60/01/31/591600131.db2.gz FKZAJCCVRJAIAA-SECBINFHSA-N 0 3 246.326 3.058 20 0 BGADHN FC1(F)CCC[C@H]1CCNCc1ccns1 ZINC000883264579 591600355 /nfs/dbraw/zinc/60/03/55/591600355.db2.gz FKZAJCCVRJAIAA-VIFPVBQESA-N 0 3 246.326 3.058 20 0 BGADHN FC1(F)CCC[C@@H]1CCNCc1cncs1 ZINC000883265396 591600097 /nfs/dbraw/zinc/60/00/97/591600097.db2.gz AJODLDOEGYDCDO-SECBINFHSA-N 0 3 246.326 3.058 20 0 BGADHN FC1(F)CCC[C@H]1CCNCc1cncs1 ZINC000883265397 591599454 /nfs/dbraw/zinc/59/94/54/591599454.db2.gz AJODLDOEGYDCDO-VIFPVBQESA-N 0 3 246.326 3.058 20 0 BGADHN FC1(F)CCC[C@@H]1CCNCc1ccoc1 ZINC000883265548 591599673 /nfs/dbraw/zinc/59/96/73/591599673.db2.gz FDISJHNZRCHECS-LLVKDONJSA-N 0 3 229.270 3.195 20 0 BGADHN FC1(F)CCC[C@H]1CCNCc1ccoc1 ZINC000883265549 591599924 /nfs/dbraw/zinc/59/99/24/591599924.db2.gz FDISJHNZRCHECS-NSHDSACASA-N 0 3 229.270 3.195 20 0 BGADHN COc1ccc(C2CC2)cc1CN[C@H]1CC[C@H]1C ZINC000883265724 591601313 /nfs/dbraw/zinc/60/13/13/591601313.db2.gz JIJZMVMCXBALLW-ABAIWWIYSA-N 0 3 245.366 3.461 20 0 BGADHN COc1ccc(C2CC2)cc1CN[C@@H]1CC[C@H]1C ZINC000883265725 591601446 /nfs/dbraw/zinc/60/14/46/591601446.db2.gz JIJZMVMCXBALLW-IAQYHMDHSA-N 0 3 245.366 3.461 20 0 BGADHN COc1ccc(C2CC2)cc1CN[C@H]1CC[C@@H]1C ZINC000883265726 591601504 /nfs/dbraw/zinc/60/15/04/591601504.db2.gz JIJZMVMCXBALLW-NHYWBVRUSA-N 0 3 245.366 3.461 20 0 BGADHN COc1ccc(C2CC2)cc1CN[C@@H]1CC[C@@H]1C ZINC000883265727 591601420 /nfs/dbraw/zinc/60/14/20/591601420.db2.gz JIJZMVMCXBALLW-XHDPSFHLSA-N 0 3 245.366 3.461 20 0 BGADHN FC1(F)CCC[C@@H]1CCNCc1nccs1 ZINC000883266379 591601332 /nfs/dbraw/zinc/60/13/32/591601332.db2.gz ZCPMIHUJSKFJIL-SECBINFHSA-N 0 3 246.326 3.058 20 0 BGADHN FC1(F)CCC[C@H]1CCNCc1nccs1 ZINC000883266380 591600594 /nfs/dbraw/zinc/60/05/94/591600594.db2.gz ZCPMIHUJSKFJIL-VIFPVBQESA-N 0 3 246.326 3.058 20 0 BGADHN FC1(F)CCC[C@@H]1CCNCc1cscn1 ZINC000883267066 591600837 /nfs/dbraw/zinc/60/08/37/591600837.db2.gz RNTNYTOWPJDUSD-SECBINFHSA-N 0 3 246.326 3.058 20 0 BGADHN FC1(F)CCC[C@H]1CCNCc1cscn1 ZINC000883267067 591600740 /nfs/dbraw/zinc/60/07/40/591600740.db2.gz RNTNYTOWPJDUSD-VIFPVBQESA-N 0 3 246.326 3.058 20 0 BGADHN C=C/C=C/CCN[C@@H](C)c1c(C)onc1CC ZINC000883267758 591600609 /nfs/dbraw/zinc/60/06/09/591600609.db2.gz PJNLNHXVPXRXHH-AEZGRPFRSA-N 0 3 234.343 3.328 20 0 BGADHN C=C/C=C\CCN[C@H](C)c1c(C)onc1CC ZINC000883267759 591601063 /nfs/dbraw/zinc/60/10/63/591601063.db2.gz PJNLNHXVPXRXHH-SKVAFPRGSA-N 0 3 234.343 3.328 20 0 BGADHN C=C/C=C\CCN[C@@H](C)c1c(C)onc1CC ZINC000883267760 591601368 /nfs/dbraw/zinc/60/13/68/591601368.db2.gz PJNLNHXVPXRXHH-TVRMLOFPSA-N 0 3 234.343 3.328 20 0 BGADHN C=C/C=C/CCN[C@H](C)c1c(C)onc1CC ZINC000883267761 591600674 /nfs/dbraw/zinc/60/06/74/591600674.db2.gz PJNLNHXVPXRXHH-WSKFYRRCSA-N 0 3 234.343 3.328 20 0 BGADHN C=C/C=C\CCN[C@H](C)c1cn2ccccc2n1 ZINC000883268156 591601497 /nfs/dbraw/zinc/60/14/97/591601497.db2.gz DMDLBGSCKMCARI-DSYXLKISSA-N 0 3 241.338 3.117 20 0 BGADHN C=C/C=C/CCN[C@@H](C)c1cn2ccccc2n1 ZINC000883268157 591601339 /nfs/dbraw/zinc/60/13/39/591601339.db2.gz DMDLBGSCKMCARI-IHVVCDCBSA-N 0 3 241.338 3.117 20 0 BGADHN C=C/C=C/CCN[C@H](C)c1cn2ccccc2n1 ZINC000883268158 591601006 /nfs/dbraw/zinc/60/10/06/591601006.db2.gz DMDLBGSCKMCARI-MUBLQREKSA-N 0 3 241.338 3.117 20 0 BGADHN C=C/C=C\CCN[C@@H](C)c1cn2ccccc2n1 ZINC000883268159 591601351 /nfs/dbraw/zinc/60/13/51/591601351.db2.gz DMDLBGSCKMCARI-ZFDPJTLLSA-N 0 3 241.338 3.117 20 0 BGADHN C=C/C=C\CCN[C@H](C)c1ncccc1CC ZINC000883268227 591602528 /nfs/dbraw/zinc/60/25/28/591602528.db2.gz FXFWJUZGMQQBCF-FMFIFOJESA-N 0 3 230.355 3.427 20 0 BGADHN C=C/C=C\CCN[C@@H](C)c1ncccc1CC ZINC000883268228 591602476 /nfs/dbraw/zinc/60/24/76/591602476.db2.gz FXFWJUZGMQQBCF-FWWRYZNZSA-N 0 3 230.355 3.427 20 0 BGADHN C=C/C=C/CCN[C@H](C)c1ncccc1CC ZINC000883268229 591602413 /nfs/dbraw/zinc/60/24/13/591602413.db2.gz FXFWJUZGMQQBCF-KTRBRXNASA-N 0 3 230.355 3.427 20 0 BGADHN C=C/C=C/CCN[C@@H](C)c1ncccc1CC ZINC000883268230 591601987 /nfs/dbraw/zinc/60/19/87/591601987.db2.gz FXFWJUZGMQQBCF-YBJDMEARSA-N 0 3 230.355 3.427 20 0 BGADHN C=C/C=C\CCN[C@H](C)c1cc2n(n1)CCCC2 ZINC000883268683 591602504 /nfs/dbraw/zinc/60/25/04/591602504.db2.gz QJMHOZCLJNNXOL-DSYXLKISSA-N 0 3 245.370 3.002 20 0 BGADHN C=C/C=C/CCN[C@@H](C)c1cc2n(n1)CCCC2 ZINC000883268684 591601934 /nfs/dbraw/zinc/60/19/34/591601934.db2.gz QJMHOZCLJNNXOL-IHVVCDCBSA-N 0 3 245.370 3.002 20 0 BGADHN C=C/C=C/CCN[C@H](C)c1cc2n(n1)CCCC2 ZINC000883268685 591602270 /nfs/dbraw/zinc/60/22/70/591602270.db2.gz QJMHOZCLJNNXOL-MUBLQREKSA-N 0 3 245.370 3.002 20 0 BGADHN C=C/C=C\CCN[C@@H](C)c1cc2n(n1)CCCC2 ZINC000883268686 591602566 /nfs/dbraw/zinc/60/25/66/591602566.db2.gz QJMHOZCLJNNXOL-ZFDPJTLLSA-N 0 3 245.370 3.002 20 0 BGADHN C=C/C=C/CCN[C@@H]1CCc2ccc(Cl)nc21 ZINC000883268776 591602434 /nfs/dbraw/zinc/60/24/34/591602434.db2.gz SFEZWJKLBKLKBV-AAOUONPWSA-N 0 3 248.757 3.444 20 0 BGADHN C=C/C=C\CCN[C@H]1CCc2ccc(Cl)nc21 ZINC000883268777 591601955 /nfs/dbraw/zinc/60/19/55/591601955.db2.gz SFEZWJKLBKLKBV-MVZIDQBPSA-N 0 3 248.757 3.444 20 0 BGADHN C=C/C=C/CCN[C@H]1CCc2ccc(Cl)nc21 ZINC000883268778 591601942 /nfs/dbraw/zinc/60/19/42/591601942.db2.gz SFEZWJKLBKLKBV-PCAWENJQSA-N 0 3 248.757 3.444 20 0 BGADHN C=C/C=C\CCN[C@@H]1CCc2ccc(Cl)nc21 ZINC000883268779 591602193 /nfs/dbraw/zinc/60/21/93/591602193.db2.gz SFEZWJKLBKLKBV-VSQXVHSFSA-N 0 3 248.757 3.444 20 0 BGADHN C=C/C=C\CC[NH2+][C@H](C)c1cccc([O-])c1F ZINC000883269209 591603054 /nfs/dbraw/zinc/60/30/54/591603054.db2.gz BQBQFRYIDGMJGH-DOGVGXBMSA-N 0 3 235.302 3.314 20 0 BGADHN C=C/C=C/CC[NH2+][C@H](C)c1cccc([O-])c1F ZINC000883269210 591603674 /nfs/dbraw/zinc/60/36/74/591603674.db2.gz BQBQFRYIDGMJGH-SGUJLRQBSA-N 0 3 235.302 3.314 20 0 BGADHN C=C/C=C\CC[NH2+][C@@H](C)c1cccc([O-])c1F ZINC000883269211 591603307 /nfs/dbraw/zinc/60/33/07/591603307.db2.gz BQBQFRYIDGMJGH-WYGGZMRJSA-N 0 3 235.302 3.314 20 0 BGADHN C=C/C=C/CC[NH2+][C@@H](C)c1cccc([O-])c1F ZINC000883269212 591603243 /nfs/dbraw/zinc/60/32/43/591603243.db2.gz BQBQFRYIDGMJGH-ZWNMCFTASA-N 0 3 235.302 3.314 20 0 BGADHN C=C/C=C\CCN[C@H]1CCCc2scnc21 ZINC000883269278 591603071 /nfs/dbraw/zinc/60/30/71/591603071.db2.gz FCXLSSSVPCKRJD-BYCRGOAPSA-N 0 3 234.368 3.242 20 0 BGADHN C=C/C=C\CCN[C@@H]1CCCc2scnc21 ZINC000883269279 591602116 /nfs/dbraw/zinc/60/21/16/591602116.db2.gz FCXLSSSVPCKRJD-DLRQAJBASA-N 0 3 234.368 3.242 20 0 BGADHN C=C/C=C/CCN[C@@H]1CCCc2scnc21 ZINC000883269280 583773077 /nfs/dbraw/zinc/77/30/77/583773077.db2.gz FCXLSSSVPCKRJD-PGLGOXFNSA-N 0 3 234.368 3.242 20 0 BGADHN C=C/C=C/CCN[C@H]1CCCc2scnc21 ZINC000883269281 583772644 /nfs/dbraw/zinc/77/26/44/583772644.db2.gz FCXLSSSVPCKRJD-UFFNRZRYSA-N 0 3 234.368 3.242 20 0 BGADHN C=C/C=C\CCN[C@H](C)c1cc(O)ccc1F ZINC000883269621 591603369 /nfs/dbraw/zinc/60/33/69/591603369.db2.gz PZEOGJWWRPSLCF-DOGVGXBMSA-N 0 3 235.302 3.314 20 0 BGADHN C=C/C=C/CCN[C@H](C)c1cc(O)ccc1F ZINC000883269622 591603715 /nfs/dbraw/zinc/60/37/15/591603715.db2.gz PZEOGJWWRPSLCF-SGUJLRQBSA-N 0 3 235.302 3.314 20 0 BGADHN C=C/C=C\CCN[C@@H](C)c1cc(O)ccc1F ZINC000883269623 591603461 /nfs/dbraw/zinc/60/34/61/591603461.db2.gz PZEOGJWWRPSLCF-WYGGZMRJSA-N 0 3 235.302 3.314 20 0 BGADHN C=C/C=C/CCN[C@@H](C)c1cc(O)ccc1F ZINC000883269624 591602884 /nfs/dbraw/zinc/60/28/84/591602884.db2.gz PZEOGJWWRPSLCF-ZWNMCFTASA-N 0 3 235.302 3.314 20 0 BGADHN Cc1ccc(CNC2CCCC2)c(Cl)n1 ZINC000883291432 591607646 /nfs/dbraw/zinc/60/76/46/591607646.db2.gz DSMHBDISQDSRGZ-UHFFFAOYSA-N 0 3 224.735 3.076 20 0 BGADHN Cc1ccc(CNC2CCCCC2)c(Cl)n1 ZINC000883291566 591607938 /nfs/dbraw/zinc/60/79/38/591607938.db2.gz KBPACEZKFHFNQC-UHFFFAOYSA-N 0 3 238.762 3.466 20 0 BGADHN CC[C@@H](C)CNCc1ccc(C)nc1Cl ZINC000883292552 591609474 /nfs/dbraw/zinc/60/94/74/591609474.db2.gz RGROBIDRALPFLQ-SECBINFHSA-N 0 3 226.751 3.179 20 0 BGADHN CC[C@H](C)CNCc1ccc(C)nc1Cl ZINC000883292553 591608741 /nfs/dbraw/zinc/60/87/41/591608741.db2.gz RGROBIDRALPFLQ-VIFPVBQESA-N 0 3 226.751 3.179 20 0 BGADHN Cc1ccc(CNCC(C)(C)C)c(Cl)n1 ZINC000883292661 591609104 /nfs/dbraw/zinc/60/91/04/591609104.db2.gz VRQIDKQJPZFOMX-UHFFFAOYSA-N 0 3 226.751 3.179 20 0 BGADHN Cc1ccc(CN[C@@H]2CC[C@@H](C)C2)c(Cl)n1 ZINC000883292780 591609226 /nfs/dbraw/zinc/60/92/26/591609226.db2.gz ZBYIXIWKEKJTEF-BXKDBHETSA-N 0 3 238.762 3.322 20 0 BGADHN Cc1ccc(CN[C@H]2CC[C@H](C)C2)c(Cl)n1 ZINC000883292781 591609701 /nfs/dbraw/zinc/60/97/01/591609701.db2.gz ZBYIXIWKEKJTEF-CABZTGNLSA-N 0 3 238.762 3.322 20 0 BGADHN Cc1ccc(CN[C@@H]2CC[C@H](C)C2)c(Cl)n1 ZINC000883292782 591608764 /nfs/dbraw/zinc/60/87/64/591608764.db2.gz ZBYIXIWKEKJTEF-JOYOIKCWSA-N 0 3 238.762 3.322 20 0 BGADHN Cc1ccc(CN[C@H]2CC[C@@H](C)C2)c(Cl)n1 ZINC000883292783 591608088 /nfs/dbraw/zinc/60/80/88/591608088.db2.gz ZBYIXIWKEKJTEF-SKDRFNHKSA-N 0 3 238.762 3.322 20 0 BGADHN Cc1ccc(CNCC2(C)CCC2)c(Cl)n1 ZINC000883293535 591609437 /nfs/dbraw/zinc/60/94/37/591609437.db2.gz WXBLDSHECKDNFB-UHFFFAOYSA-N 0 3 238.762 3.323 20 0 BGADHN Cc1ccc(CN[C@@H](C)C2CCC2)c(Cl)n1 ZINC000883300870 591608104 /nfs/dbraw/zinc/60/81/04/591608104.db2.gz KRFJUFQDINLPSG-JTQLQIEISA-N 0 3 238.762 3.322 20 0 BGADHN Cc1ccc(CN[C@H](C)C2CCC2)c(Cl)n1 ZINC000883300871 591608007 /nfs/dbraw/zinc/60/80/07/591608007.db2.gz KRFJUFQDINLPSG-SNVBAGLBSA-N 0 3 238.762 3.322 20 0 BGADHN CCC(CC)NCc1ccc(C)nc1Cl ZINC000883301090 591609893 /nfs/dbraw/zinc/60/98/93/591609893.db2.gz PEIBLVANHZTTBY-UHFFFAOYSA-N 0 3 226.751 3.322 20 0 BGADHN Cc1ccc(CN[C@@H](C)C(C)C)c(Cl)n1 ZINC000883301135 591609519 /nfs/dbraw/zinc/60/95/19/591609519.db2.gz QVCPRYPSCDLSGG-JTQLQIEISA-N 0 3 226.751 3.178 20 0 BGADHN Cc1ccc(CN[C@H](C)C(C)C)c(Cl)n1 ZINC000883301136 591609946 /nfs/dbraw/zinc/60/99/46/591609946.db2.gz QVCPRYPSCDLSGG-SNVBAGLBSA-N 0 3 226.751 3.178 20 0 BGADHN CCC[C@@H](C)NCc1ccc(C)nc1Cl ZINC000883301269 591609153 /nfs/dbraw/zinc/60/91/53/591609153.db2.gz VGLNLRMATBQSQE-SECBINFHSA-N 0 3 226.751 3.322 20 0 BGADHN CCC[C@H](C)NCc1ccc(C)nc1Cl ZINC000883301270 591609331 /nfs/dbraw/zinc/60/93/31/591609331.db2.gz VGLNLRMATBQSQE-VIFPVBQESA-N 0 3 226.751 3.322 20 0 BGADHN Cc1ccc(CN[C@@H](C)CC2CC2)c(Cl)n1 ZINC000883301692 591609542 /nfs/dbraw/zinc/60/95/42/591609542.db2.gz GVCQKXUCHHJTRP-JTQLQIEISA-N 0 3 238.762 3.322 20 0 BGADHN Cc1ccc(CN[C@H](C)CC2CC2)c(Cl)n1 ZINC000883301693 591609788 /nfs/dbraw/zinc/60/97/88/591609788.db2.gz GVCQKXUCHHJTRP-SNVBAGLBSA-N 0 3 238.762 3.322 20 0 BGADHN CC[C@H]1CC[C@H]1NCc1ccc(C)nc1Cl ZINC000883301761 591609327 /nfs/dbraw/zinc/60/93/27/591609327.db2.gz IDSKZHKMKQMJLT-CMPLNLGQSA-N 0 3 238.762 3.322 20 0 BGADHN CC[C@H]1CC[C@@H]1NCc1ccc(C)nc1Cl ZINC000883301762 591609445 /nfs/dbraw/zinc/60/94/45/591609445.db2.gz IDSKZHKMKQMJLT-JQWIXIFHSA-N 0 3 238.762 3.322 20 0 BGADHN CC[C@@H]1CC[C@@H]1NCc1ccc(C)nc1Cl ZINC000883301763 591609199 /nfs/dbraw/zinc/60/91/99/591609199.db2.gz IDSKZHKMKQMJLT-PWSUYJOCSA-N 0 3 238.762 3.322 20 0 BGADHN CC[C@@H]1CC[C@H]1NCc1ccc(C)nc1Cl ZINC000883301764 591609965 /nfs/dbraw/zinc/60/99/65/591609965.db2.gz IDSKZHKMKQMJLT-ZYHUDNBSSA-N 0 3 238.762 3.322 20 0 BGADHN Cc1ccc(CNC2CC(C)(C)C2)c(Cl)n1 ZINC000883301992 591609352 /nfs/dbraw/zinc/60/93/52/591609352.db2.gz NWKYAXUWISMMBS-UHFFFAOYSA-N 0 3 238.762 3.322 20 0 BGADHN CCC[C@@H](CC)NC1(c2ncccn2)CCC1 ZINC000883312924 591612420 /nfs/dbraw/zinc/61/24/20/591612420.db2.gz PTXYTLYZHNKJOM-GFCCVEGCSA-N 0 3 233.359 3.024 20 0 BGADHN CCC[C@H](CC)NC1(c2ncccn2)CCC1 ZINC000883312925 591612329 /nfs/dbraw/zinc/61/23/29/591612329.db2.gz PTXYTLYZHNKJOM-LBPRGKRZSA-N 0 3 233.359 3.024 20 0 BGADHN CCCC[C@@H](CC)NC1(c2ncccn2)CCC1 ZINC000883313308 591612850 /nfs/dbraw/zinc/61/28/50/591612850.db2.gz ANCJWOWVUULLTG-CYBMUJFWSA-N 0 3 247.386 3.414 20 0 BGADHN CCCC[C@H](CC)NC1(c2ncccn2)CCC1 ZINC000883313309 591612902 /nfs/dbraw/zinc/61/29/02/591612902.db2.gz ANCJWOWVUULLTG-ZDUSSCGKSA-N 0 3 247.386 3.414 20 0 BGADHN c1cnc(C2(NC3CCCCCC3)CCC2)nc1 ZINC000883313510 591612913 /nfs/dbraw/zinc/61/29/13/591612913.db2.gz FVKWRIGJEMUEBV-UHFFFAOYSA-N 0 3 245.370 3.168 20 0 BGADHN C[C@@H](NC1(c2ncccn2)CCC1)C1CCCC1 ZINC000883313876 591612668 /nfs/dbraw/zinc/61/26/68/591612668.db2.gz OTVFTIBLGZCJPL-GFCCVEGCSA-N 0 3 245.370 3.024 20 0 BGADHN C[C@H](NC1(c2ncccn2)CCC1)C1CCCC1 ZINC000883313877 591611789 /nfs/dbraw/zinc/61/17/89/591611789.db2.gz OTVFTIBLGZCJPL-LBPRGKRZSA-N 0 3 245.370 3.024 20 0 BGADHN C[C@@H]1CCC[C@@H](NC2(c3ncccn3)CCC2)C1 ZINC000883314074 591611655 /nfs/dbraw/zinc/61/16/55/591611655.db2.gz UUXONDDVTYKMMX-CHWSQXEVSA-N 0 3 245.370 3.024 20 0 BGADHN C[C@@H]1CCC[C@H](NC2(c3ncccn3)CCC2)C1 ZINC000883314075 591612038 /nfs/dbraw/zinc/61/20/38/591612038.db2.gz UUXONDDVTYKMMX-OLZOCXBDSA-N 0 3 245.370 3.024 20 0 BGADHN C[C@H]1CCC[C@@H](NC2(c3ncccn3)CCC2)C1 ZINC000883314076 591611851 /nfs/dbraw/zinc/61/18/51/591611851.db2.gz UUXONDDVTYKMMX-QWHCGFSZSA-N 0 3 245.370 3.024 20 0 BGADHN C[C@H]1CCC[C@H](NC2(c3ncccn3)CCC2)C1 ZINC000883314077 591612303 /nfs/dbraw/zinc/61/23/03/591612303.db2.gz UUXONDDVTYKMMX-STQMWFEESA-N 0 3 245.370 3.024 20 0 BGADHN CCCC(CCC)NC1(c2ncccn2)CCC1 ZINC000883314138 591612332 /nfs/dbraw/zinc/61/23/32/591612332.db2.gz WUQUEZCPWZVCQV-UHFFFAOYSA-N 0 3 247.386 3.414 20 0 BGADHN C[C@@H]1CCCC[C@H]1NC1(c2ncccn2)CCC1 ZINC000883314238 591612256 /nfs/dbraw/zinc/61/22/56/591612256.db2.gz YUEZDUTZAWEDEY-CHWSQXEVSA-N 0 3 245.370 3.024 20 0 BGADHN C[C@@H]1CCCC[C@@H]1NC1(c2ncccn2)CCC1 ZINC000883314239 591612575 /nfs/dbraw/zinc/61/25/75/591612575.db2.gz YUEZDUTZAWEDEY-OLZOCXBDSA-N 0 3 245.370 3.024 20 0 BGADHN C[C@H]1CCCC[C@H]1NC1(c2ncccn2)CCC1 ZINC000883314240 591611977 /nfs/dbraw/zinc/61/19/77/591611977.db2.gz YUEZDUTZAWEDEY-QWHCGFSZSA-N 0 3 245.370 3.024 20 0 BGADHN C[C@H]1CCCC[C@@H]1NC1(c2ncccn2)CCC1 ZINC000883314241 591612177 /nfs/dbraw/zinc/61/21/77/591612177.db2.gz YUEZDUTZAWEDEY-STQMWFEESA-N 0 3 245.370 3.024 20 0 BGADHN CC(C)c1c[nH]c(CN[C@@H]2C[C@@H]3CCCC[C@H]23)n1 ZINC000883319604 591615029 /nfs/dbraw/zinc/61/50/29/591615029.db2.gz JFTGXCNGOQDVCK-RWMBFGLXSA-N 0 3 247.386 3.201 20 0 BGADHN c1nc(C2CC2)oc1CN[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000883319935 591615120 /nfs/dbraw/zinc/61/51/20/591615120.db2.gz VJPJMCXMUFLXJI-FPMFFAJLSA-N 0 3 246.354 3.220 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000883321832 591615744 /nfs/dbraw/zinc/61/57/44/591615744.db2.gz MWQIQLQXEXPHJP-XDQVBPFNSA-N 0 3 247.386 3.132 20 0 BGADHN CCn1ccnc1[C@@H](C)N[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000883321833 591616541 /nfs/dbraw/zinc/61/65/41/591616541.db2.gz MWQIQLQXEXPHJP-ZOBORPQBSA-N 0 3 247.386 3.132 20 0 BGADHN CC[C@@H](N[C@@H]1C[C@@H]2CCCC[C@H]12)c1nccn1C ZINC000883322330 591615920 /nfs/dbraw/zinc/61/59/20/591615920.db2.gz BDVKDOQQNQDKIM-IGQOVBAYSA-N 0 3 247.386 3.040 20 0 BGADHN CC[C@H](N[C@@H]1C[C@@H]2CCCC[C@H]12)c1nccn1C ZINC000883322331 591615750 /nfs/dbraw/zinc/61/57/50/591615750.db2.gz BDVKDOQQNQDKIM-XDQVBPFNSA-N 0 3 247.386 3.040 20 0 BGADHN Oc1ccc(Cl)c(CNC2CCCC2)c1 ZINC000883325028 591615862 /nfs/dbraw/zinc/61/58/62/591615862.db2.gz MROBYLKKPYGWIH-UHFFFAOYSA-N 0 3 225.719 3.078 20 0 BGADHN Cc1cc(CNC[C@@H]2CCC3(CCC3)O2)c(C)o1 ZINC000883363862 591632253 /nfs/dbraw/zinc/63/22/53/591632253.db2.gz PXWGJULTRPRMNK-AWEZNQCLSA-N 0 3 249.354 3.088 20 0 BGADHN Cc1cc(CNC[C@H]2CCC3(CCC3)O2)c(C)o1 ZINC000883363863 591631680 /nfs/dbraw/zinc/63/16/80/591631680.db2.gz PXWGJULTRPRMNK-CQSZACIVSA-N 0 3 249.354 3.088 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@]12CCCO2)c1ccoc1 ZINC000883364902 591632304 /nfs/dbraw/zinc/63/23/04/591632304.db2.gz PYUGTHZRTSNVOP-YUTCNCBUSA-N 0 3 235.327 3.032 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@]12CCCO2)c1ccco1 ZINC000883365226 591631846 /nfs/dbraw/zinc/63/18/46/591631846.db2.gz WUWJFZBSDVDULT-YUTCNCBUSA-N 0 3 235.327 3.032 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H]2CCC[C@]23CCCO3)o1 ZINC000883365348 591631877 /nfs/dbraw/zinc/63/18/77/591631877.db2.gz ZALJIRAOOJCFCJ-CFVMTHIKSA-N 0 3 249.354 3.340 20 0 BGADHN C[C@@H](N[C@@H]1CCC[C@]12CCCO2)c1ccco1 ZINC000883367746 591633399 /nfs/dbraw/zinc/63/33/99/591633399.db2.gz WUWJFZBSDVDULT-BNOWGMLFSA-N 0 3 235.327 3.032 20 0 BGADHN Cc1ccc([C@@H](C)N[C@@H]2CCC[C@]23CCCO3)o1 ZINC000883367856 591633736 /nfs/dbraw/zinc/63/37/36/591633736.db2.gz ZALJIRAOOJCFCJ-YUELXQCFSA-N 0 3 249.354 3.340 20 0 BGADHN C[C@@H](N[C@@H]1CCC[C@]12CCCO2)c1ccoc1 ZINC000883368434 591633016 /nfs/dbraw/zinc/63/30/16/591633016.db2.gz PYUGTHZRTSNVOP-BNOWGMLFSA-N 0 3 235.327 3.032 20 0 BGADHN Cc1cc(CN[C@@H]2CCC[C@]23CCCO3)c(C)o1 ZINC000883370182 591634856 /nfs/dbraw/zinc/63/48/56/591634856.db2.gz HUMHAYASLKOKSF-CABCVRRESA-N 0 3 249.354 3.088 20 0 BGADHN CCc1ccc(CN[C@@H]2CCC[C@]23CCCO3)o1 ZINC000883370955 591634175 /nfs/dbraw/zinc/63/41/75/591634175.db2.gz VVGQSBDXMKQKPW-CABCVRRESA-N 0 3 249.354 3.033 20 0 BGADHN CC(C)N[C@@H]1c2ccccc2CC[C@H]1F ZINC000883376174 591636889 /nfs/dbraw/zinc/63/68/89/591636889.db2.gz FYELNCWYVLBGDY-CHWSQXEVSA-N 0 3 207.292 3.010 20 0 BGADHN CC(C)N[C@H]1c2ccccc2CC[C@H]1F ZINC000883376175 591637302 /nfs/dbraw/zinc/63/73/02/591637302.db2.gz FYELNCWYVLBGDY-OLZOCXBDSA-N 0 3 207.292 3.010 20 0 BGADHN CC(C)N[C@@H]1c2ccccc2CC[C@@H]1F ZINC000883376176 591637378 /nfs/dbraw/zinc/63/73/78/591637378.db2.gz FYELNCWYVLBGDY-QWHCGFSZSA-N 0 3 207.292 3.010 20 0 BGADHN CC(C)N[C@H]1c2ccccc2CC[C@@H]1F ZINC000883376177 591637561 /nfs/dbraw/zinc/63/75/61/591637561.db2.gz FYELNCWYVLBGDY-STQMWFEESA-N 0 3 207.292 3.010 20 0 BGADHN F[C@H]1CCc2ccccc2[C@@H]1NCC1CC1 ZINC000883382622 591639077 /nfs/dbraw/zinc/63/90/77/591639077.db2.gz KJLXWLOXLLJBSO-KBPBESRZSA-N 0 3 219.303 3.012 20 0 BGADHN F[C@@H]1CCc2ccccc2[C@@H]1NCC1CC1 ZINC000883382623 591639354 /nfs/dbraw/zinc/63/93/54/591639354.db2.gz KJLXWLOXLLJBSO-KGLIPLIRSA-N 0 3 219.303 3.012 20 0 BGADHN F[C@H]1CCc2ccccc2[C@H]1NCC1CC1 ZINC000883382624 591639739 /nfs/dbraw/zinc/63/97/39/591639739.db2.gz KJLXWLOXLLJBSO-UONOGXRCSA-N 0 3 219.303 3.012 20 0 BGADHN F[C@@H]1CCc2ccccc2[C@H]1NCC1CC1 ZINC000883382625 591639222 /nfs/dbraw/zinc/63/92/22/591639222.db2.gz KJLXWLOXLLJBSO-ZIAGYGMSSA-N 0 3 219.303 3.012 20 0 BGADHN C[C@H]1CC[C@H]1NCc1nsc2ccccc21 ZINC000883402789 583796496 /nfs/dbraw/zinc/79/64/96/583796496.db2.gz AATNTDYPDHKDCL-GXSJLCMTSA-N 0 3 232.352 3.184 20 0 BGADHN C[C@@H]1CC[C@@H]1NCc1nsc2ccccc21 ZINC000883402790 583796296 /nfs/dbraw/zinc/79/62/96/583796296.db2.gz AATNTDYPDHKDCL-KOLCDFICSA-N 0 3 232.352 3.184 20 0 BGADHN C[C@@H]1CC[C@H]1NCc1nsc2ccccc21 ZINC000883402791 583799659 /nfs/dbraw/zinc/79/96/59/583799659.db2.gz AATNTDYPDHKDCL-MWLCHTKSSA-N 0 3 232.352 3.184 20 0 BGADHN C[C@H]1CC[C@@H]1NCc1nsc2ccccc21 ZINC000883402792 583799126 /nfs/dbraw/zinc/79/91/26/583799126.db2.gz AATNTDYPDHKDCL-ONGXEEELSA-N 0 3 232.352 3.184 20 0 BGADHN CC1(C)Nc2ccccc2[C@H]1NC/C=C/Cl ZINC000883463873 583824550 /nfs/dbraw/zinc/82/45/50/583824550.db2.gz AAABYQVWJZLOGF-FZKGZDJFSA-N 0 3 236.746 3.274 20 0 BGADHN CC1(C)Nc2ccccc2[C@@H]1NC/C=C\Cl ZINC000883463874 583824657 /nfs/dbraw/zinc/82/46/57/583824657.db2.gz AAABYQVWJZLOGF-JECSTDCCSA-N 0 3 236.746 3.274 20 0 BGADHN CC1(C)Nc2ccccc2[C@H]1NC/C=C\Cl ZINC000883463875 583824537 /nfs/dbraw/zinc/82/45/37/583824537.db2.gz AAABYQVWJZLOGF-VVEJJEBESA-N 0 3 236.746 3.274 20 0 BGADHN CC1(C)Nc2ccccc2[C@@H]1NC/C=C/Cl ZINC000883463876 583824408 /nfs/dbraw/zinc/82/44/08/583824408.db2.gz AAABYQVWJZLOGF-ZCRIDZFUSA-N 0 3 236.746 3.274 20 0 BGADHN Cc1n[nH]c(CNCCC2=CCCCC2)c1C ZINC000885889644 592105663 /nfs/dbraw/zinc/10/56/63/592105663.db2.gz KTMPUAPSQZLUTK-UHFFFAOYSA-N 0 3 233.359 3.007 20 0 BGADHN CO[C@@H](CNCc1cc(C)co1)c1ccccc1 ZINC000885937658 592111081 /nfs/dbraw/zinc/11/10/81/592111081.db2.gz GGPVUDVYVPZBIX-HNNXBMFYSA-N 0 3 245.322 3.065 20 0 BGADHN CO[C@H](CNCc1cc(C)co1)c1ccccc1 ZINC000885937659 592110466 /nfs/dbraw/zinc/11/04/66/592110466.db2.gz GGPVUDVYVPZBIX-OAHLLOKOSA-N 0 3 245.322 3.065 20 0 BGADHN Cc1[nH]nc(CNC(C)(C)c2ccccc2)c1C ZINC000885946960 592113175 /nfs/dbraw/zinc/11/31/75/592113175.db2.gz WMSOHKKGYIBDDA-UHFFFAOYSA-N 0 3 243.354 3.051 20 0 BGADHN Cc1n[nH]c(CNC(C)(C)c2ccccc2)c1C ZINC000885946960 592113172 /nfs/dbraw/zinc/11/31/72/592113172.db2.gz WMSOHKKGYIBDDA-UHFFFAOYSA-N 0 3 243.354 3.051 20 0 BGADHN Cc1noc(C)c1CN(C)CC[C@@H]1C[C@H]1C1CC1 ZINC000885951710 592113848 /nfs/dbraw/zinc/11/38/48/592113848.db2.gz OMAWBZSEFZIXNR-KGLIPLIRSA-N 0 3 248.370 3.159 20 0 BGADHN Cc1coc(CN[C@H](C)COc2ccccc2)c1 ZINC000885952037 592114047 /nfs/dbraw/zinc/11/40/47/592114047.db2.gz UZQNCHPQUSDGQU-CYBMUJFWSA-N 0 3 245.322 3.145 20 0 BGADHN Cc1coc(CN[C@@H](C)COc2ccccc2)c1 ZINC000885952038 592113622 /nfs/dbraw/zinc/11/36/22/592113622.db2.gz UZQNCHPQUSDGQU-ZDUSSCGKSA-N 0 3 245.322 3.145 20 0 BGADHN Cc1coc(CNCCCOC2CCCC2)c1 ZINC000885956208 592114814 /nfs/dbraw/zinc/11/48/14/592114814.db2.gz LVSGKHUJJMKWAW-UHFFFAOYSA-N 0 3 237.343 3.027 20 0 BGADHN Cc1coc(CN[C@H](C)Cc2cccc(O)c2)c1 ZINC000885969087 592117538 /nfs/dbraw/zinc/11/75/38/592117538.db2.gz KAYKDLQFRZOMHP-GFCCVEGCSA-N 0 3 245.322 3.014 20 0 BGADHN Cc1coc(CN[C@@H](C)Cc2cccc(O)c2)c1 ZINC000885969088 592118171 /nfs/dbraw/zinc/11/81/71/592118171.db2.gz KAYKDLQFRZOMHP-LBPRGKRZSA-N 0 3 245.322 3.014 20 0 BGADHN Cc1coc(CN[C@H](C)Cc2ccc(O)cc2)c1 ZINC000885969178 592118424 /nfs/dbraw/zinc/11/84/24/592118424.db2.gz MECHSFPWMFOALY-GFCCVEGCSA-N 0 3 245.322 3.014 20 0 BGADHN Cc1coc(CN[C@@H](C)Cc2ccc(O)cc2)c1 ZINC000885969179 592118195 /nfs/dbraw/zinc/11/81/95/592118195.db2.gz MECHSFPWMFOALY-LBPRGKRZSA-N 0 3 245.322 3.014 20 0 BGADHN Cc1[nH]nc(CNC(C)(C)c2cccs2)c1C ZINC000885990530 592123280 /nfs/dbraw/zinc/12/32/80/592123280.db2.gz JLMRPISODXHARD-UHFFFAOYSA-N 0 3 249.383 3.113 20 0 BGADHN Cc1n[nH]c(CNC(C)(C)c2cccs2)c1C ZINC000885990530 592123279 /nfs/dbraw/zinc/12/32/79/592123279.db2.gz JLMRPISODXHARD-UHFFFAOYSA-N 0 3 249.383 3.113 20 0 BGADHN Cc1coc(CNCCCc2ccc(O)cc2)c1 ZINC000885992406 592123963 /nfs/dbraw/zinc/12/39/63/592123963.db2.gz HCVLOCCNPZXKIU-UHFFFAOYSA-N 0 3 245.322 3.016 20 0 BGADHN Cc1coc(CNCCCNc2ccccc2)c1 ZINC000885993046 592124119 /nfs/dbraw/zinc/12/41/19/592124119.db2.gz XQEWIKZJBZDCOE-UHFFFAOYSA-N 0 3 244.338 3.180 20 0 BGADHN CCCC(O)(CCC)CNCc1cc(C)co1 ZINC000885994624 592125024 /nfs/dbraw/zinc/12/50/24/592125024.db2.gz PSRDJKQJBIKBMH-UHFFFAOYSA-N 0 3 239.359 3.009 20 0 BGADHN Cc1n[nH]c(CN[C@H]2C[C@H]2C2CCCCC2)c1C ZINC000886000077 592125949 /nfs/dbraw/zinc/12/59/49/592125949.db2.gz UPTWBZTUUBUTRM-KBPBESRZSA-N 0 3 247.386 3.085 20 0 BGADHN Cc1n[nH]c(CN[C@H]2C[C@@H]2C2CCCCC2)c1C ZINC000886000078 592125985 /nfs/dbraw/zinc/12/59/85/592125985.db2.gz UPTWBZTUUBUTRM-KGLIPLIRSA-N 0 3 247.386 3.085 20 0 BGADHN Cc1n[nH]c(CN[C@@H]2C[C@H]2C2CCCCC2)c1C ZINC000886000079 592126953 /nfs/dbraw/zinc/12/69/53/592126953.db2.gz UPTWBZTUUBUTRM-UONOGXRCSA-N 0 3 247.386 3.085 20 0 BGADHN Cc1n[nH]c(CN[C@@H]2C[C@@H]2C2CCCCC2)c1C ZINC000886000080 592126839 /nfs/dbraw/zinc/12/68/39/592126839.db2.gz UPTWBZTUUBUTRM-ZIAGYGMSSA-N 0 3 247.386 3.085 20 0 BGADHN CCO[C@H]1C[C@H](NCc2cc(C)co2)C12CCC2 ZINC000886000281 592126855 /nfs/dbraw/zinc/12/68/55/592126855.db2.gz ZKWFGARYJXVSPT-KBPBESRZSA-N 0 3 249.354 3.025 20 0 BGADHN CCO[C@H]1C[C@@H](NCc2cc(C)co2)C12CCC2 ZINC000886000282 592126515 /nfs/dbraw/zinc/12/65/15/592126515.db2.gz ZKWFGARYJXVSPT-KGLIPLIRSA-N 0 3 249.354 3.025 20 0 BGADHN CCO[C@@H]1C[C@H](NCc2cc(C)co2)C12CCC2 ZINC000886000283 592126489 /nfs/dbraw/zinc/12/64/89/592126489.db2.gz ZKWFGARYJXVSPT-UONOGXRCSA-N 0 3 249.354 3.025 20 0 BGADHN CCO[C@@H]1C[C@@H](NCc2cc(C)co2)C12CCC2 ZINC000886000284 592126959 /nfs/dbraw/zinc/12/69/59/592126959.db2.gz ZKWFGARYJXVSPT-ZIAGYGMSSA-N 0 3 249.354 3.025 20 0 BGADHN Cc1coc(CN[C@H](C)CCc2cccn2C)c1 ZINC000886001492 592126772 /nfs/dbraw/zinc/12/67/72/592126772.db2.gz ATAASEPMHAPMAC-CYBMUJFWSA-N 0 3 246.354 3.037 20 0 BGADHN Cc1coc(CN[C@@H](C)CCc2cccn2C)c1 ZINC000886001493 592126927 /nfs/dbraw/zinc/12/69/27/592126927.db2.gz ATAASEPMHAPMAC-ZDUSSCGKSA-N 0 3 246.354 3.037 20 0 BGADHN Fc1cccc(/C=C/CNCCC(F)(F)F)c1 ZINC000886003296 592127438 /nfs/dbraw/zinc/12/74/38/592127438.db2.gz AFOOMUGBQMNIDB-DUXPYHPUSA-N 0 3 247.235 3.381 20 0 BGADHN Fc1cccc(/C=C\CNCCC(F)(F)F)c1 ZINC000886003297 592127455 /nfs/dbraw/zinc/12/74/55/592127455.db2.gz AFOOMUGBQMNIDB-RQOWECAXSA-N 0 3 247.235 3.381 20 0 BGADHN CCO[C@@H](CCNCc1cc(C)co1)C(C)C ZINC000886005663 592128141 /nfs/dbraw/zinc/12/81/41/592128141.db2.gz HHISAFUPVDTSOX-AWEZNQCLSA-N 0 3 239.359 3.129 20 0 BGADHN CCO[C@H](CCNCc1cc(C)co1)C(C)C ZINC000886005664 592128304 /nfs/dbraw/zinc/12/83/04/592128304.db2.gz HHISAFUPVDTSOX-CQSZACIVSA-N 0 3 239.359 3.129 20 0 BGADHN Cc1coc(CN[C@@H]2CCOC3(CCCC3)C2)c1 ZINC000886025816 592134602 /nfs/dbraw/zinc/13/46/02/592134602.db2.gz KLAQWDKYXXAEQB-CYBMUJFWSA-N 0 3 249.354 3.169 20 0 BGADHN Cc1coc(CN[C@H]2CCOC3(CCCC3)C2)c1 ZINC000886025817 592134509 /nfs/dbraw/zinc/13/45/09/592134509.db2.gz KLAQWDKYXXAEQB-ZDUSSCGKSA-N 0 3 249.354 3.169 20 0 BGADHN CCN(CC[C@@H]1C[C@H]1C1CC1)Cc1ccccn1 ZINC000886039071 592138653 /nfs/dbraw/zinc/13/86/53/592138653.db2.gz HLQBNROLOMAHFS-ZBFHGGJFSA-N 0 3 244.382 3.340 20 0 BGADHN Cc1coc(CNc2cc(C)cc(C)n2)c1 ZINC000886041249 592139509 /nfs/dbraw/zinc/13/95/09/592139509.db2.gz LRVRDAJODZGKQC-UHFFFAOYSA-N 0 3 216.284 3.212 20 0 BGADHN Cc1coc(CNC[C@H](C)c2c(C)noc2C)c1 ZINC000886043479 592138765 /nfs/dbraw/zinc/13/87/65/592138765.db2.gz CXFZSMLRESLHNY-JTQLQIEISA-N 0 3 248.326 3.086 20 0 BGADHN Cc1coc(CNC[C@@H](C)c2c(C)noc2C)c1 ZINC000886043480 585036696 /nfs/dbraw/zinc/03/66/96/585036696.db2.gz CXFZSMLRESLHNY-SNVBAGLBSA-N 0 3 248.326 3.086 20 0 BGADHN COc1cc(C)cc(CNC2(C)CCC2)c1OC ZINC000886046325 592139874 /nfs/dbraw/zinc/13/98/74/592139874.db2.gz FQFLDKMPCFOVFF-UHFFFAOYSA-N 0 3 249.354 3.044 20 0 BGADHN Cc1coc(CNCCCc2cccs2)c1 ZINC000886054371 592141403 /nfs/dbraw/zinc/14/14/03/592141403.db2.gz AGVSKAXBJJJFGD-UHFFFAOYSA-N 0 3 235.352 3.372 20 0 BGADHN Cc1coc(CNCCc2sccc2C)c1 ZINC000886055070 592141370 /nfs/dbraw/zinc/14/13/70/592141370.db2.gz RFHILBOIOWTPKF-UHFFFAOYSA-N 0 3 235.352 3.290 20 0 BGADHN Cc1coc(CN[C@@H]2CC(C)(C)OC2(C)C)c1 ZINC000886057234 592141248 /nfs/dbraw/zinc/14/12/48/592141248.db2.gz JJCMNZLTQSKQFU-GFCCVEGCSA-N 0 3 237.343 3.024 20 0 BGADHN Cc1coc(CN[C@H]2CC(C)(C)OC2(C)C)c1 ZINC000886057235 592140913 /nfs/dbraw/zinc/14/09/13/592140913.db2.gz JJCMNZLTQSKQFU-LBPRGKRZSA-N 0 3 237.343 3.024 20 0 BGADHN Cc1coc(CNC23CCC(CC2)C3)c1 ZINC000886062190 592141876 /nfs/dbraw/zinc/14/18/76/592141876.db2.gz JKOYNEJIBWCUOD-UHFFFAOYSA-N 0 3 205.301 3.010 20 0 BGADHN Clc1ccc(CNC23CCC(CC2)C3)nc1 ZINC000886062867 592141843 /nfs/dbraw/zinc/14/18/43/592141843.db2.gz YDOZQCZGSRUUFB-UHFFFAOYSA-N 0 3 236.746 3.157 20 0 BGADHN Cc1coc(CNCCC[C@H]2CCCCO2)c1 ZINC000886064903 592142262 /nfs/dbraw/zinc/14/22/62/592142262.db2.gz KUFZRLJBSPDWFF-CYBMUJFWSA-N 0 3 237.343 3.027 20 0 BGADHN Cc1coc(CNCCC[C@@H]2CCCCO2)c1 ZINC000886064904 592141867 /nfs/dbraw/zinc/14/18/67/592141867.db2.gz KUFZRLJBSPDWFF-ZDUSSCGKSA-N 0 3 237.343 3.027 20 0 BGADHN Cc1n[nH]c(CNCCC2=CCCCCC2)c1C ZINC000886065903 592141914 /nfs/dbraw/zinc/14/19/14/592141914.db2.gz YGYLJXLAOGQFIM-UHFFFAOYSA-N 0 3 247.386 3.397 20 0 BGADHN COC1(CNCc2cc(C)co2)CCCCC1 ZINC000886066862 592143264 /nfs/dbraw/zinc/14/32/64/592143264.db2.gz DMCQXVNYVFIDAP-UHFFFAOYSA-N 0 3 237.343 3.027 20 0 BGADHN Cc1cccc(CN(C)CC[C@@H]2C[C@H]2C2CC2)n1 ZINC000886070169 592142911 /nfs/dbraw/zinc/14/29/11/592142911.db2.gz PKLTWHXLUZJQGB-ZBFHGGJFSA-N 0 3 244.382 3.258 20 0 BGADHN Fc1cccc(/C=C/CNC[C@H]2CCC=CO2)c1 ZINC000886081338 592143913 /nfs/dbraw/zinc/14/39/13/592143913.db2.gz MIWWQZSLCBEFNV-CSPWOOARSA-N 0 3 247.313 3.121 20 0 BGADHN Fc1cccc(/C=C/CNC[C@@H]2CCC=CO2)c1 ZINC000886081339 592143813 /nfs/dbraw/zinc/14/38/13/592143813.db2.gz MIWWQZSLCBEFNV-DRDHIDPGSA-N 0 3 247.313 3.121 20 0 BGADHN Fc1cccc(/C=C\CNC[C@@H]2CCC=CO2)c1 ZINC000886081340 592144364 /nfs/dbraw/zinc/14/43/64/592144364.db2.gz MIWWQZSLCBEFNV-VOKGJARPSA-N 0 3 247.313 3.121 20 0 BGADHN Fc1cccc(/C=C\CNC[C@H]2CCC=CO2)c1 ZINC000886081341 592144077 /nfs/dbraw/zinc/14/40/77/592144077.db2.gz MIWWQZSLCBEFNV-ZDTYVGOBSA-N 0 3 247.313 3.121 20 0 BGADHN C1=C[C@H]2CC[C@@H](C1)N2C[C@H]1CCC2(CCC2)CO1 ZINC000886083623 592145565 /nfs/dbraw/zinc/14/55/65/592145565.db2.gz LQXGSICWBDWKQR-RRFJBIMHSA-N 0 3 247.382 3.129 20 0 BGADHN C1=C[C@H]2CC[C@@H](C1)N2C[C@@H]1CCC2(CCC2)CO1 ZINC000886083624 592145818 /nfs/dbraw/zinc/14/58/18/592145818.db2.gz LQXGSICWBDWKQR-ZNMIVQPWSA-N 0 3 247.382 3.129 20 0 BGADHN C1=C[C@H]2CC[C@@H](C1)N2CCOC1CCCCC1 ZINC000886084116 592145518 /nfs/dbraw/zinc/14/55/18/592145518.db2.gz QEWXRRIYGYWIFY-UONOGXRCSA-N 0 3 235.371 3.129 20 0 BGADHN COc1cc(C)cc(CNCC=C(C)C)c1OC ZINC000886085619 592145624 /nfs/dbraw/zinc/14/56/24/592145624.db2.gz BKAYTHXJDYBTLI-UHFFFAOYSA-N 0 3 249.354 3.068 20 0 BGADHN Fc1cccc(/C=C/CNC2CC(F)(F)C2)c1 ZINC000886091988 592146661 /nfs/dbraw/zinc/14/66/61/592146661.db2.gz LMWRRYNZZXFOSI-DUXPYHPUSA-N 0 3 241.256 3.226 20 0 BGADHN Fc1cccc(/C=C\CNC2CC(F)(F)C2)c1 ZINC000886091989 592146621 /nfs/dbraw/zinc/14/66/21/592146621.db2.gz LMWRRYNZZXFOSI-RQOWECAXSA-N 0 3 241.256 3.226 20 0 BGADHN FC1(F)CC2(CN(CC[C@@H]3C[C@H]3C3CC3)C2)C1 ZINC000886093815 592147806 /nfs/dbraw/zinc/14/78/06/592147806.db2.gz HQBDXXIJRHRJDJ-NEPJUHHUSA-N 0 3 241.325 3.154 20 0 BGADHN Cc1coc(CNC[C@H]2CCC(F)(F)C2)c1 ZINC000886102290 592154273 /nfs/dbraw/zinc/15/42/73/592154273.db2.gz CQJIWPFPOAYCMF-JTQLQIEISA-N 0 3 229.270 3.113 20 0 BGADHN Cc1coc(CNC[C@@H]2CCC(F)(F)C2)c1 ZINC000886102291 592154102 /nfs/dbraw/zinc/15/41/02/592154102.db2.gz CQJIWPFPOAYCMF-SNVBAGLBSA-N 0 3 229.270 3.113 20 0 BGADHN Cc1coc(CN[C@H]2CCCC23CCOCC3)c1 ZINC000886107377 592155997 /nfs/dbraw/zinc/15/59/97/592155997.db2.gz QGJGDHWAGXYIJH-AWEZNQCLSA-N 0 3 249.354 3.027 20 0 BGADHN Cc1coc(CN[C@@H]2CCCC23CCOCC3)c1 ZINC000886107378 592156548 /nfs/dbraw/zinc/15/65/48/592156548.db2.gz QGJGDHWAGXYIJH-CQSZACIVSA-N 0 3 249.354 3.027 20 0 BGADHN Cc1coc(CNCC(C)(C)C(F)(F)F)c1 ZINC000886107727 592156065 /nfs/dbraw/zinc/15/60/65/592156065.db2.gz YNPHPAVPZKRDGY-UHFFFAOYSA-N 0 3 235.249 3.266 20 0 BGADHN Cc1coc(CNCCCc2cccc(C)n2)c1 ZINC000886114232 592156437 /nfs/dbraw/zinc/15/64/37/592156437.db2.gz KFJKRZWYRMLXFG-UHFFFAOYSA-N 0 3 244.338 3.014 20 0 BGADHN COCC(C)(C)CCCNCc1cc(C)co1 ZINC000886116554 592157549 /nfs/dbraw/zinc/15/75/49/592157549.db2.gz KIFFWXVVJXEBQC-UHFFFAOYSA-N 0 3 239.359 3.130 20 0 BGADHN CC(F)(F)CCNC/C=C/c1cccc(F)c1 ZINC000886127713 592159064 /nfs/dbraw/zinc/15/90/64/592159064.db2.gz QQHMRGXQMHVUQF-HWKANZROSA-N 0 3 243.272 3.474 20 0 BGADHN CC(F)(F)CCNC/C=C\c1cccc(F)c1 ZINC000886127714 592158775 /nfs/dbraw/zinc/15/87/75/592158775.db2.gz QQHMRGXQMHVUQF-HYXAFXHYSA-N 0 3 243.272 3.474 20 0 BGADHN CCC1(NCc2cc(C)cc(OC)c2OC)CC1 ZINC000886129988 592159655 /nfs/dbraw/zinc/15/96/55/592159655.db2.gz SGYCPNSPNTURGF-UHFFFAOYSA-N 0 3 249.354 3.044 20 0 BGADHN Cc1coc(CNCC(C)(C)c2ccccn2)c1 ZINC000886130255 592159835 /nfs/dbraw/zinc/15/98/35/592159835.db2.gz ZUKLTHPWIIKSLH-UHFFFAOYSA-N 0 3 244.338 3.050 20 0 BGADHN CC/C=C\CNCc1cc(C)cc(OC)c1OC ZINC000886131878 592159590 /nfs/dbraw/zinc/15/95/90/592159590.db2.gz JPKWNOGWJRSKHN-SREVYHEPSA-N 0 3 249.354 3.068 20 0 BGADHN CC/C=C/CNCc1cc(C)cc(OC)c1OC ZINC000886131879 592160066 /nfs/dbraw/zinc/16/00/66/592160066.db2.gz JPKWNOGWJRSKHN-VOTSOKGWSA-N 0 3 249.354 3.068 20 0 BGADHN Cc1coc(CNC[C@@H]2CCOC3(CCC3)C2)c1 ZINC000886132192 592159986 /nfs/dbraw/zinc/15/99/86/592159986.db2.gz RJGFULKKDGNQNS-CYBMUJFWSA-N 0 3 249.354 3.027 20 0 BGADHN Cc1coc(CNC[C@H]2CCOC3(CCC3)C2)c1 ZINC000886132193 592159942 /nfs/dbraw/zinc/15/99/42/592159942.db2.gz RJGFULKKDGNQNS-ZDUSSCGKSA-N 0 3 249.354 3.027 20 0 BGADHN Cc1coc(CNC[C@]2(C)CC2(Cl)Cl)c1 ZINC000886132369 592159598 /nfs/dbraw/zinc/15/95/98/592159598.db2.gz WIPXRICFBSYAFE-JTQLQIEISA-N 0 3 248.153 3.262 20 0 BGADHN Cc1coc(CNC[C@@]2(C)CC2(Cl)Cl)c1 ZINC000886132370 592159732 /nfs/dbraw/zinc/15/97/32/592159732.db2.gz WIPXRICFBSYAFE-SNVBAGLBSA-N 0 3 248.153 3.262 20 0 BGADHN CC(C)[C@@H]1C[C@H]1CNCc1ccc(Cl)cn1 ZINC000886134660 592161069 /nfs/dbraw/zinc/16/10/69/592161069.db2.gz YBNIPENVNSALHE-GWCFXTLKSA-N 0 3 238.762 3.117 20 0 BGADHN Cc1coc(CNCCC2CC(F)(F)C2)c1 ZINC000886138282 592161426 /nfs/dbraw/zinc/16/14/26/592161426.db2.gz GLEAUXYHOYFYDT-UHFFFAOYSA-N 0 3 229.270 3.113 20 0 BGADHN CCO[C@@H]1CCCC[C@H]1NCc1cc(C)co1 ZINC000886138848 592161720 /nfs/dbraw/zinc/16/17/20/592161720.db2.gz VMBKTAVJXBWETQ-ZIAGYGMSSA-N 0 3 237.343 3.025 20 0 BGADHN Cc1coc(CNCC(C)(C)c2cccnc2)c1 ZINC000886147576 592163564 /nfs/dbraw/zinc/16/35/64/592163564.db2.gz WGGPUHKGTRJZSS-UHFFFAOYSA-N 0 3 244.338 3.050 20 0 BGADHN Clc1ccc(CN[C@@H]2C[C@H]2C2CCC2)nc1 ZINC000886149503 592163957 /nfs/dbraw/zinc/16/39/57/592163957.db2.gz PVOWAWNYONRWNE-QWHCGFSZSA-N 0 3 236.746 3.013 20 0 BGADHN Cc1coc(CNCC2CCC(F)CC2)c1 ZINC000886151370 592163185 /nfs/dbraw/zinc/16/31/85/592163185.db2.gz ICUKNAJXPYRXLA-UHFFFAOYSA-N 0 3 225.307 3.206 20 0 BGADHN Cc1coc(CN[C@H]2C[C@@H](OC(C)(C)C)C2)c1 ZINC000886151680 592163891 /nfs/dbraw/zinc/16/38/91/592163891.db2.gz PXIYEKVMBINSLA-TXEJJXNPSA-N 0 3 237.343 3.024 20 0 BGADHN Cc1coc(CNCC[C@]2(C)C[C@@]2(F)Cl)c1 ZINC000886154025 592164642 /nfs/dbraw/zinc/16/46/42/592164642.db2.gz XLLTYYVSQJQGTJ-NEPJUHHUSA-N 0 3 245.725 3.382 20 0 BGADHN Cc1coc(CNCC[C@@]2(C)C[C@]2(F)Cl)c1 ZINC000886154026 592164622 /nfs/dbraw/zinc/16/46/22/592164622.db2.gz XLLTYYVSQJQGTJ-NWDGAFQWSA-N 0 3 245.725 3.382 20 0 BGADHN Cc1coc(CNCC[C@@]2(C)C[C@@]2(F)Cl)c1 ZINC000886154027 592164360 /nfs/dbraw/zinc/16/43/60/592164360.db2.gz XLLTYYVSQJQGTJ-RYUDHWBXSA-N 0 3 245.725 3.382 20 0 BGADHN Cc1coc(CNCC[C@]2(C)C[C@]2(F)Cl)c1 ZINC000886154028 592164511 /nfs/dbraw/zinc/16/45/11/592164511.db2.gz XLLTYYVSQJQGTJ-VXGBXAGGSA-N 0 3 245.725 3.382 20 0 BGADHN Cc1coc(CN[C@H]2C[C@H](OC(C)(C)C)C2)c1 ZINC000886155852 592164406 /nfs/dbraw/zinc/16/44/06/592164406.db2.gz PXIYEKVMBINSLA-HAQNSBGRSA-N 0 3 237.343 3.024 20 0 BGADHN CC[C@H](NCc1cc(C)co1)[C@@H]1CCCCO1 ZINC000886155956 592165722 /nfs/dbraw/zinc/16/57/22/592165722.db2.gz RVGPSSRXLZRTCF-KBPBESRZSA-N 0 3 237.343 3.025 20 0 BGADHN CC[C@@H](NCc1cc(C)co1)[C@@H]1CCCCO1 ZINC000886155957 592165472 /nfs/dbraw/zinc/16/54/72/592165472.db2.gz RVGPSSRXLZRTCF-KGLIPLIRSA-N 0 3 237.343 3.025 20 0 BGADHN CC[C@H](NCc1cc(C)co1)[C@H]1CCCCO1 ZINC000886155958 592165871 /nfs/dbraw/zinc/16/58/71/592165871.db2.gz RVGPSSRXLZRTCF-UONOGXRCSA-N 0 3 237.343 3.025 20 0 BGADHN CC[C@@H](NCc1cc(C)co1)[C@H]1CCCCO1 ZINC000886155959 592165780 /nfs/dbraw/zinc/16/57/80/592165780.db2.gz RVGPSSRXLZRTCF-ZIAGYGMSSA-N 0 3 237.343 3.025 20 0 BGADHN Cc1coc(CN[C@@H](C2CC2)[C@H]2CCCCO2)c1 ZINC000886156075 592165338 /nfs/dbraw/zinc/16/53/38/592165338.db2.gz WFBSKWAALFOGSS-CABCVRRESA-N 0 3 249.354 3.025 20 0 BGADHN Cc1coc(CN[C@@H](C2CC2)[C@@H]2CCCCO2)c1 ZINC000886156076 592165863 /nfs/dbraw/zinc/16/58/63/592165863.db2.gz WFBSKWAALFOGSS-GJZGRUSLSA-N 0 3 249.354 3.025 20 0 BGADHN Cc1coc(CN[C@H](C2CC2)[C@H]2CCCCO2)c1 ZINC000886156077 592165610 /nfs/dbraw/zinc/16/56/10/592165610.db2.gz WFBSKWAALFOGSS-HUUCEWRRSA-N 0 3 249.354 3.025 20 0 BGADHN Cc1coc(CN[C@H](C2CC2)[C@@H]2CCCCO2)c1 ZINC000886156078 592165075 /nfs/dbraw/zinc/16/50/75/592165075.db2.gz WFBSKWAALFOGSS-LSDHHAIUSA-N 0 3 249.354 3.025 20 0 BGADHN Fc1cccc(/C=C\CN[C@@H]2C=CCC2)c1 ZINC000886157848 592165967 /nfs/dbraw/zinc/16/59/67/592165967.db2.gz MBSKTDJDTPECSY-KXQLTZBTSA-N 0 3 217.287 3.147 20 0 BGADHN Fc1cccc(/C=C\CN[C@H]2C=CCC2)c1 ZINC000886157849 592165758 /nfs/dbraw/zinc/16/57/58/592165758.db2.gz MBSKTDJDTPECSY-SDQPKGBYSA-N 0 3 217.287 3.147 20 0 BGADHN Fc1cccc(/C=C/CN[C@@H]2C=CCC2)c1 ZINC000886157850 592165234 /nfs/dbraw/zinc/16/52/34/592165234.db2.gz MBSKTDJDTPECSY-YVARQFDVSA-N 0 3 217.287 3.147 20 0 BGADHN Fc1cccc(/C=C/CN[C@H]2C=CCC2)c1 ZINC000886157851 592165363 /nfs/dbraw/zinc/16/53/63/592165363.db2.gz MBSKTDJDTPECSY-YVZNUBBCSA-N 0 3 217.287 3.147 20 0 BGADHN CSCC1(CCNCc2cc(C)co2)CC1 ZINC000886158011 592165885 /nfs/dbraw/zinc/16/58/85/592165885.db2.gz PNPFSTCAKIDWTR-UHFFFAOYSA-N 0 3 239.384 3.211 20 0 BGADHN CCN(Cc1n[nH]cc1C)[C@@H]1CCCC[C@H]1C ZINC000886158279 592165999 /nfs/dbraw/zinc/16/59/99/592165999.db2.gz VYWBQJSNOXCLBJ-BXUZGUMPSA-N 0 3 235.375 3.119 20 0 BGADHN CCN(Cc1n[nH]cc1C)[C@H]1CCCC[C@@H]1C ZINC000886158280 592165388 /nfs/dbraw/zinc/16/53/88/592165388.db2.gz VYWBQJSNOXCLBJ-FZMZJTMJSA-N 0 3 235.375 3.119 20 0 BGADHN CCN(Cc1n[nH]cc1C)[C@H]1CCCC[C@H]1C ZINC000886158281 592165449 /nfs/dbraw/zinc/16/54/49/592165449.db2.gz VYWBQJSNOXCLBJ-RISCZKNCSA-N 0 3 235.375 3.119 20 0 BGADHN CCN(Cc1n[nH]cc1C)[C@@H]1CCCC[C@@H]1C ZINC000886158282 592165218 /nfs/dbraw/zinc/16/52/18/592165218.db2.gz VYWBQJSNOXCLBJ-SMDDNHRTSA-N 0 3 235.375 3.119 20 0 BGADHN Cc1coc(CNCC[C@]2(C)CC2(F)F)c1 ZINC000886162610 592166977 /nfs/dbraw/zinc/16/69/77/592166977.db2.gz UGCXVNFIXROMSR-LLVKDONJSA-N 0 3 229.270 3.113 20 0 BGADHN Cc1coc(CNCC[C@@]2(C)CC2(F)F)c1 ZINC000886162611 592166456 /nfs/dbraw/zinc/16/64/56/592166456.db2.gz UGCXVNFIXROMSR-NSHDSACASA-N 0 3 229.270 3.113 20 0 BGADHN Cc1coc(CNCC[C@@H]2CC2(Cl)Cl)c1 ZINC000886166305 592168112 /nfs/dbraw/zinc/16/81/12/592168112.db2.gz FHPBWPNRCYEUAA-SECBINFHSA-N 0 3 248.153 3.262 20 0 BGADHN Cc1coc(CNCC[C@H]2CC2(Cl)Cl)c1 ZINC000886166306 592168133 /nfs/dbraw/zinc/16/81/33/592168133.db2.gz FHPBWPNRCYEUAA-VIFPVBQESA-N 0 3 248.153 3.262 20 0 BGADHN COCC1(NCc2cc(C)co2)CCCCC1 ZINC000886166648 592167641 /nfs/dbraw/zinc/16/76/41/592167641.db2.gz NHBDKCQKSGSKMH-UHFFFAOYSA-N 0 3 237.343 3.027 20 0 BGADHN CC(C)(F)CNC/C=C/c1cccc(F)c1 ZINC000886173118 592169174 /nfs/dbraw/zinc/16/91/74/592169174.db2.gz HCRQWPXDVHYMNA-GQCTYLIASA-N 0 3 225.282 3.177 20 0 BGADHN CC(C)(F)CNC/C=C\c1cccc(F)c1 ZINC000886173119 592169770 /nfs/dbraw/zinc/16/97/70/592169770.db2.gz HCRQWPXDVHYMNA-XQRVVYSFSA-N 0 3 225.282 3.177 20 0 BGADHN Cc1coc(CNC(C)(C)[C@H]2CCCCO2)c1 ZINC000886176605 592170836 /nfs/dbraw/zinc/17/08/36/592170836.db2.gz HCHOXCQKNNFEQP-CYBMUJFWSA-N 0 3 237.343 3.025 20 0 BGADHN Cc1coc(CNC(C)(C)[C@@H]2CCCCO2)c1 ZINC000886176606 592170804 /nfs/dbraw/zinc/17/08/04/592170804.db2.gz HCHOXCQKNNFEQP-ZDUSSCGKSA-N 0 3 237.343 3.025 20 0 BGADHN Cc1coc(CN[C@@H](C2CCC2)[C@H]2CCCO2)c1 ZINC000886177299 592170378 /nfs/dbraw/zinc/17/03/78/592170378.db2.gz ZIHIBKQWHGNKMC-CABCVRRESA-N 0 3 249.354 3.025 20 0 BGADHN Cc1coc(CN[C@@H](C2CCC2)[C@@H]2CCCO2)c1 ZINC000886177300 592170766 /nfs/dbraw/zinc/17/07/66/592170766.db2.gz ZIHIBKQWHGNKMC-GJZGRUSLSA-N 0 3 249.354 3.025 20 0 BGADHN Cc1coc(CN[C@H](C2CCC2)[C@H]2CCCO2)c1 ZINC000886177301 592170491 /nfs/dbraw/zinc/17/04/91/592170491.db2.gz ZIHIBKQWHGNKMC-HUUCEWRRSA-N 0 3 249.354 3.025 20 0 BGADHN Cc1coc(CN[C@H](C2CCC2)[C@@H]2CCCO2)c1 ZINC000886177302 592170774 /nfs/dbraw/zinc/17/07/74/592170774.db2.gz ZIHIBKQWHGNKMC-LSDHHAIUSA-N 0 3 249.354 3.025 20 0 BGADHN Cc1ccncc1CN(C)CC[C@@H]1C[C@H]1C1CC1 ZINC000886181335 592170653 /nfs/dbraw/zinc/17/06/53/592170653.db2.gz JXNYVVUMAQENSU-ZBFHGGJFSA-N 0 3 244.382 3.258 20 0 BGADHN Cc1coc(CNC2([C@@H]3CCCCO3)CCC2)c1 ZINC000886181841 592171388 /nfs/dbraw/zinc/17/13/88/592171388.db2.gz VCCRBLMSDNGGBT-AWEZNQCLSA-N 0 3 249.354 3.169 20 0 BGADHN Cc1coc(CNC2([C@H]3CCCCO3)CCC2)c1 ZINC000886181842 592171720 /nfs/dbraw/zinc/17/17/20/592171720.db2.gz VCCRBLMSDNGGBT-CQSZACIVSA-N 0 3 249.354 3.169 20 0 BGADHN Cc1coc(CNCC2(OC(C)C)CCC2)c1 ZINC000886183879 592171446 /nfs/dbraw/zinc/17/14/46/592171446.db2.gz PFNARMPWTSVEKI-UHFFFAOYSA-N 0 3 237.343 3.025 20 0 BGADHN FC1(F)CCN(CC[C@@H]2C[C@H]2C2CC2)CC1 ZINC000886184005 592171715 /nfs/dbraw/zinc/17/17/15/592171715.db2.gz RVGJYXQALIUASB-NEPJUHHUSA-N 0 3 229.314 3.154 20 0 BGADHN Cc1coc(CNCC(C)(C)CC(F)F)c1 ZINC000886186392 592172793 /nfs/dbraw/zinc/17/27/93/592172793.db2.gz XEFJHVOKXXPHAH-UHFFFAOYSA-N 0 3 231.286 3.359 20 0 BGADHN Cc1cc([C@@H](C)NCC[C@@H]2C[C@H]2C2CC2)no1 ZINC000886190143 592172241 /nfs/dbraw/zinc/17/22/41/592172241.db2.gz CDMFWTMVGFTCKQ-RTXFEEFZSA-N 0 3 234.343 3.070 20 0 BGADHN Cc1cc([C@H](C)NCC[C@@H]2C[C@H]2C2CC2)no1 ZINC000886190144 592172306 /nfs/dbraw/zinc/17/23/06/592172306.db2.gz CDMFWTMVGFTCKQ-UHTWSYAYSA-N 0 3 234.343 3.070 20 0 BGADHN CCc1nocc1CN(C)CC[C@@H]1C[C@H]1C1CC1 ZINC000886217930 592178819 /nfs/dbraw/zinc/17/88/19/592178819.db2.gz KIJGIQJQBLTHIA-OCCSQVGLSA-N 0 3 248.370 3.105 20 0 BGADHN Cc1ccc(CN(C)CC[C@@H]2C[C@H]2C2CC2)nc1 ZINC000886226831 592180796 /nfs/dbraw/zinc/18/07/96/592180796.db2.gz SCAQEUSYESNAQZ-ZBFHGGJFSA-N 0 3 244.382 3.258 20 0 BGADHN C[C@H](NCc1cc(C2CC2)no1)[C@@H]1C[C@H]1C1CC1 ZINC000886269342 592191823 /nfs/dbraw/zinc/19/18/23/592191823.db2.gz SRICQVUQNDRWAW-HERUPUMHSA-N 0 3 246.354 3.076 20 0 BGADHN C[C@@H](NCc1cc(C2CC2)no1)[C@@H]1C[C@H]1C1CC1 ZINC000886269343 592191717 /nfs/dbraw/zinc/19/17/17/592191717.db2.gz SRICQVUQNDRWAW-IIMNLJJBSA-N 0 3 246.354 3.076 20 0 BGADHN c1c(CN[C@H]2C[C@@H]3CC[C@@H](C3)C2)onc1C1CC1 ZINC000886269550 592191772 /nfs/dbraw/zinc/19/17/72/592191772.db2.gz YVYYZQJXHCZMIY-PJXYFTJBSA-N 0 3 246.354 3.220 20 0 BGADHN c1c(CN[C@@H]2C[C@@H]3CC[C@@H](C3)C2)onc1C1CC1 ZINC000886269551 592192054 /nfs/dbraw/zinc/19/20/54/592192054.db2.gz YVYYZQJXHCZMIY-PTEHBNRSSA-N 0 3 246.354 3.220 20 0 BGADHN C[C@@H](NCc1cc(C2CC2)no1)[C@H]1CC1(C)C ZINC000886270325 592191611 /nfs/dbraw/zinc/19/16/11/592191611.db2.gz AFAHCGYPQITYCN-BXKDBHETSA-N 0 3 234.343 3.076 20 0 BGADHN C[C@H](NCc1cc(C2CC2)no1)[C@@H]1CC1(C)C ZINC000886270326 592191777 /nfs/dbraw/zinc/19/17/77/592191777.db2.gz AFAHCGYPQITYCN-CABZTGNLSA-N 0 3 234.343 3.076 20 0 BGADHN C[C@H](NCc1cc(C2CC2)no1)[C@H]1CC1(C)C ZINC000886270327 592191769 /nfs/dbraw/zinc/19/17/69/592191769.db2.gz AFAHCGYPQITYCN-JOYOIKCWSA-N 0 3 234.343 3.076 20 0 BGADHN C[C@@H](NCc1cc(C2CC2)no1)[C@@H]1CC1(C)C ZINC000886270328 592191653 /nfs/dbraw/zinc/19/16/53/592191653.db2.gz AFAHCGYPQITYCN-SKDRFNHKSA-N 0 3 234.343 3.076 20 0 BGADHN C[C@H]1CC(C)(C)C[C@@H]1NCc1cc(C2CC2)no1 ZINC000886270531 592191675 /nfs/dbraw/zinc/19/16/75/592191675.db2.gz GJBXACWENFPHNY-HZMBPMFUSA-N 0 3 248.370 3.466 20 0 BGADHN C[C@H]1CC(C)(C)C[C@H]1NCc1cc(C2CC2)no1 ZINC000886270532 592191813 /nfs/dbraw/zinc/19/18/13/592191813.db2.gz GJBXACWENFPHNY-IINYFYTJSA-N 0 3 248.370 3.466 20 0 BGADHN C[C@@H]1CC(C)(C)C[C@H]1NCc1cc(C2CC2)no1 ZINC000886270533 592191679 /nfs/dbraw/zinc/19/16/79/592191679.db2.gz GJBXACWENFPHNY-QMTHXVAHSA-N 0 3 248.370 3.466 20 0 BGADHN C[C@@H]1CC(C)(C)C[C@@H]1NCc1cc(C2CC2)no1 ZINC000886270534 592191664 /nfs/dbraw/zinc/19/16/64/592191664.db2.gz GJBXACWENFPHNY-YGRLFVJLSA-N 0 3 248.370 3.466 20 0 BGADHN CCC[C@H](C)CNCc1cc(C2CC2)no1 ZINC000886271160 592192111 /nfs/dbraw/zinc/19/21/11/592192111.db2.gz ZFBZNPDTIRZWCM-JTQLQIEISA-N 0 3 222.332 3.078 20 0 BGADHN CCC[C@@H](C)CNCc1cc(C2CC2)no1 ZINC000886271161 592191686 /nfs/dbraw/zinc/19/16/86/592191686.db2.gz ZFBZNPDTIRZWCM-SNVBAGLBSA-N 0 3 222.332 3.078 20 0 BGADHN CC(C)C(CN[C@H](C)c1ncco1)C(C)C ZINC000886272029 592193058 /nfs/dbraw/zinc/19/30/58/592193058.db2.gz DZKMAGOEWDXIQR-LLVKDONJSA-N 0 3 224.348 3.253 20 0 BGADHN CC(C)C(CN[C@@H](C)c1ncco1)C(C)C ZINC000886272030 592192497 /nfs/dbraw/zinc/19/24/97/592192497.db2.gz DZKMAGOEWDXIQR-NSHDSACASA-N 0 3 224.348 3.253 20 0 BGADHN CC1CCC(NCc2cc(C3CC3)no2)CC1 ZINC000886272301 592193114 /nfs/dbraw/zinc/19/31/14/592193114.db2.gz MJMVLWUOSATRBM-UHFFFAOYSA-N 0 3 234.343 3.220 20 0 BGADHN Cc1c[nH]nc1CN1CC[C@@]1(C)C1CCCCC1 ZINC000886311808 592205475 /nfs/dbraw/zinc/20/54/75/592205475.db2.gz IFZKGVITZHQFFS-HNNXBMFYSA-N 0 3 247.386 3.263 20 0 BGADHN Cc1c[nH]nc1CN1CC[C@]1(C)C1CCCCC1 ZINC000886311809 592205544 /nfs/dbraw/zinc/20/55/44/592205544.db2.gz IFZKGVITZHQFFS-OAHLLOKOSA-N 0 3 247.386 3.263 20 0 BGADHN C[C@H]1C[C@H]1c1ccc(CNCC[C@H]2CCCO2)o1 ZINC000886315190 592206693 /nfs/dbraw/zinc/20/66/93/592206693.db2.gz AALFKVQFWUYEGJ-OUCADQQQSA-N 0 3 249.354 3.062 20 0 BGADHN C[C@H]1C[C@@H]1c1ccc(CNCC[C@H]2CCCO2)o1 ZINC000886315191 592206497 /nfs/dbraw/zinc/20/64/97/592206497.db2.gz AALFKVQFWUYEGJ-SCRDCRAPSA-N 0 3 249.354 3.062 20 0 BGADHN FC[C@H]1CCCN(CCOC2CCCCC2)C1 ZINC000886315747 592206974 /nfs/dbraw/zinc/20/69/74/592206974.db2.gz ZTUVWJCOCBKBRG-CYBMUJFWSA-N 0 3 243.366 3.017 20 0 BGADHN FC[C@@H]1CCCN(CCOC2CCCCC2)C1 ZINC000886315748 592206995 /nfs/dbraw/zinc/20/69/95/592206995.db2.gz ZTUVWJCOCBKBRG-ZDUSSCGKSA-N 0 3 243.366 3.017 20 0 BGADHN C[C@@H](c1ccccc1Cl)N1C[C@@H]2C[C@@H]2C1 ZINC000886328175 592209238 /nfs/dbraw/zinc/20/92/38/592209238.db2.gz AUGYCUSMRHSLMR-GARJFASQSA-N 0 3 221.731 3.353 20 0 BGADHN C[C@H](c1ccccc1Cl)N1C[C@@H]2C[C@@H]2C1 ZINC000886328177 592209645 /nfs/dbraw/zinc/20/96/45/592209645.db2.gz AUGYCUSMRHSLMR-MXWKQRLJSA-N 0 3 221.731 3.353 20 0 BGADHN C[C@H](c1cccc(Cl)c1)N1C[C@@H]2C[C@@H]2C1 ZINC000886332476 592211308 /nfs/dbraw/zinc/21/13/08/592211308.db2.gz UXPWIJJZAAXOLV-JLLWLGSASA-N 0 3 221.731 3.353 20 0 BGADHN C[C@@H](c1cccc(Cl)c1)N1C[C@@H]2C[C@@H]2C1 ZINC000886332479 592210950 /nfs/dbraw/zinc/21/09/50/592210950.db2.gz UXPWIJJZAAXOLV-ZMLRMANQSA-N 0 3 221.731 3.353 20 0 BGADHN CC[C@H](c1ccc(F)cc1F)N1C[C@@H]2C[C@@H]2C1 ZINC000886334508 592211508 /nfs/dbraw/zinc/21/15/08/592211508.db2.gz XOAFELZCTIFVLO-ISTVAULSSA-N 0 3 237.293 3.368 20 0 BGADHN CC[C@@H](c1ccc(F)cc1F)N1C[C@@H]2C[C@@H]2C1 ZINC000886334510 592211612 /nfs/dbraw/zinc/21/16/12/592211612.db2.gz XOAFELZCTIFVLO-RBZYPMLTSA-N 0 3 237.293 3.368 20 0 BGADHN C[C@]1(CNCc2ccco2)CCOC2(CCC2)C1 ZINC000886345088 592213010 /nfs/dbraw/zinc/21/30/10/592213010.db2.gz RNGHQJSVBIZOOM-AWEZNQCLSA-N 0 3 249.354 3.109 20 0 BGADHN C[C@@]1(CNCc2ccco2)CCOC2(CCC2)C1 ZINC000886345089 592212788 /nfs/dbraw/zinc/21/27/88/592212788.db2.gz RNGHQJSVBIZOOM-CQSZACIVSA-N 0 3 249.354 3.109 20 0 BGADHN FC(F)c1cccc(CN2C[C@@H]3C[C@@H]3C2)c1 ZINC000886346142 592212938 /nfs/dbraw/zinc/21/29/38/592212938.db2.gz BLFZVUPXEFJHBH-TXEJJXNPSA-N 0 3 223.266 3.076 20 0 BGADHN COc1ccc(C(C)C)cc1CN1C[C@@H]2C[C@@H]2C1 ZINC000886348235 592214076 /nfs/dbraw/zinc/21/40/76/592214076.db2.gz JAHALWCZZYKAIT-OKILXGFUSA-N 0 3 245.366 3.270 20 0 BGADHN CCc1nc(C(C)C)ccc1CN1C[C@@H]2C[C@@H]2C1 ZINC000886348637 592214416 /nfs/dbraw/zinc/21/44/16/592214416.db2.gz PTFOQULJVWYKHU-OKILXGFUSA-N 0 3 244.382 3.219 20 0 BGADHN CC[C@@H](OCCN1C[C@@H]2C[C@@H]2C1)c1ccccc1 ZINC000886348737 592214473 /nfs/dbraw/zinc/21/44/73/592214473.db2.gz RGRUWRTYEQPGAK-OWCLPIDISA-N 0 3 245.366 3.106 20 0 BGADHN CC[C@H](OCCN1C[C@@H]2C[C@@H]2C1)c1ccccc1 ZINC000886348738 592214453 /nfs/dbraw/zinc/21/44/53/592214453.db2.gz RGRUWRTYEQPGAK-XHSDSOJGSA-N 0 3 245.366 3.106 20 0 BGADHN CC(C)(NCC1CC1)c1ccc(F)cc1F ZINC000886350504 592215246 /nfs/dbraw/zinc/21/52/46/592215246.db2.gz XFTLUYGCVNDEIE-UHFFFAOYSA-N 0 3 225.282 3.200 20 0 BGADHN Clc1ncccc1CNC1CCC=CCC1 ZINC000886376555 592221722 /nfs/dbraw/zinc/22/17/22/592221722.db2.gz GMWPOPGAPIPGSM-UHFFFAOYSA-N 0 3 236.746 3.323 20 0 BGADHN c1nc(C2CC2)oc1CNC1CCC=CCC1 ZINC000886376652 592221473 /nfs/dbraw/zinc/22/14/73/592221473.db2.gz NMHMWLXTUCWOLA-UHFFFAOYSA-N 0 3 232.327 3.140 20 0 BGADHN c1ccc2oc(CNC3CCC=CCC3)nc2c1 ZINC000886376663 592221737 /nfs/dbraw/zinc/22/17/37/592221737.db2.gz OCKDNYRUAXLMBD-UHFFFAOYSA-N 0 3 242.322 3.416 20 0 BGADHN C1=CCCC(NCc2nc3c(s2)CCC3)CC1 ZINC000886376687 592221729 /nfs/dbraw/zinc/22/17/29/592221729.db2.gz PUWGUCIRFBVUTK-UHFFFAOYSA-N 0 3 248.395 3.220 20 0 BGADHN CC(C)c1c[nH]c(CNC2CCC=CCC2)n1 ZINC000886376775 592221790 /nfs/dbraw/zinc/22/17/90/592221790.db2.gz YSBYVXPXOOBTCA-UHFFFAOYSA-N 0 3 233.359 3.122 20 0 BGADHN CSc1ccc(CNC2(C3CC3)CCC2)o1 ZINC000886391866 592222985 /nfs/dbraw/zinc/22/29/85/592222985.db2.gz CDDCDJFLGBHDNA-UHFFFAOYSA-N 0 3 237.368 3.424 20 0 BGADHN COc1ccc(F)c(CNC2(C3CC3)CCC2)c1 ZINC000886391963 592223299 /nfs/dbraw/zinc/22/32/99/592223299.db2.gz KFOUUIXFFPBHEJ-UHFFFAOYSA-N 0 3 249.329 3.257 20 0 BGADHN C(NC1(C2CC2)CCC1)c1nc2c(s1)CCC2 ZINC000886392016 592221692 /nfs/dbraw/zinc/22/16/92/592221692.db2.gz NVJGXEKFXQJDCA-UHFFFAOYSA-N 0 3 248.395 3.054 20 0 BGADHN Clc1ncccc1CNC1(C2CC2)CCC1 ZINC000886392020 592223275 /nfs/dbraw/zinc/22/32/75/592223275.db2.gz ODYURXAAULCJSM-UHFFFAOYSA-N 0 3 236.746 3.157 20 0 BGADHN c1ccc2oc(CNC3(C4CC4)CCC3)nc2c1 ZINC000886392053 592223209 /nfs/dbraw/zinc/22/32/09/592223209.db2.gz RHWLCFBJIHSCBS-UHFFFAOYSA-N 0 3 242.322 3.250 20 0 BGADHN CC(C)[C@H](Cc1ccccc1)NCc1ccno1 ZINC000886422434 592224589 /nfs/dbraw/zinc/22/45/89/592224589.db2.gz OIEZHLBGSQYBOV-HNNXBMFYSA-N 0 3 244.338 3.032 20 0 BGADHN CC(C)[C@@H](Cc1ccccc1)NCc1ccno1 ZINC000886422435 592224525 /nfs/dbraw/zinc/22/45/25/592224525.db2.gz OIEZHLBGSQYBOV-OAHLLOKOSA-N 0 3 244.338 3.032 20 0 BGADHN Cc1ccccc1[C@@H](CO)N(C)[C@@H]1C=CCCC1 ZINC000886433713 592225435 /nfs/dbraw/zinc/22/54/35/592225435.db2.gz RIMMPMBITAHGSD-GDBMZVCRSA-N 0 3 245.366 3.069 20 0 BGADHN Cc1ccccc1[C@@H](CO)N(C)[C@H]1C=CCCC1 ZINC000886433714 592226463 /nfs/dbraw/zinc/22/64/63/592226463.db2.gz RIMMPMBITAHGSD-GOEBONIOSA-N 0 3 245.366 3.069 20 0 BGADHN Cc1ccccc1[C@H](CO)N(C)[C@H]1C=CCCC1 ZINC000886433715 592225595 /nfs/dbraw/zinc/22/55/95/592225595.db2.gz RIMMPMBITAHGSD-HOCLYGCPSA-N 0 3 245.366 3.069 20 0 BGADHN Cc1ccccc1[C@H](CO)N(C)[C@@H]1C=CCCC1 ZINC000886433716 592226400 /nfs/dbraw/zinc/22/64/00/592226400.db2.gz RIMMPMBITAHGSD-ZBFHGGJFSA-N 0 3 245.366 3.069 20 0 BGADHN Cc1ccccc1[C@H](CO)N(C)CC1=CCCC1 ZINC000886442329 592226067 /nfs/dbraw/zinc/22/60/67/592226067.db2.gz VMUWVRFUOGUMQZ-INIZCTEOSA-N 0 3 245.366 3.071 20 0 BGADHN Cc1ccccc1[C@@H](CO)N(C)CC1=CCCC1 ZINC000886442330 592225997 /nfs/dbraw/zinc/22/59/97/592225997.db2.gz VMUWVRFUOGUMQZ-MRXNPFEDSA-N 0 3 245.366 3.071 20 0 BGADHN C[C@H]1CCN(CCF)[C@@H]1c1ccccc1 ZINC000886543292 592254817 /nfs/dbraw/zinc/25/48/17/592254817.db2.gz MRHOVGNPIJRVBT-AAEUAGOBSA-N 0 3 207.292 3.039 20 0 BGADHN C[C@@H]1CCN(CCF)[C@H]1c1ccccc1 ZINC000886543293 592256272 /nfs/dbraw/zinc/25/62/72/592256272.db2.gz MRHOVGNPIJRVBT-DGCLKSJQSA-N 0 3 207.292 3.039 20 0 BGADHN C[C@H]1CCN(CCF)[C@H]1c1ccccc1 ZINC000886543294 592256315 /nfs/dbraw/zinc/25/63/15/592256315.db2.gz MRHOVGNPIJRVBT-WCQYABFASA-N 0 3 207.292 3.039 20 0 BGADHN C[C@@H]1CCN(CCF)[C@@H]1c1ccccc1 ZINC000886543295 592255254 /nfs/dbraw/zinc/25/52/54/592255254.db2.gz MRHOVGNPIJRVBT-YPMHNXCESA-N 0 3 207.292 3.039 20 0 BGADHN C[C@@H]1CCN(Cc2ccno2)[C@@H]1c1ccccc1 ZINC000886543548 592255542 /nfs/dbraw/zinc/25/55/42/592255542.db2.gz QJUNUATUEFNFHT-DOMZBBRYSA-N 0 3 242.322 3.258 20 0 BGADHN C[C@@H]1CCN(Cc2ccno2)[C@H]1c1ccccc1 ZINC000886543549 592254946 /nfs/dbraw/zinc/25/49/46/592254946.db2.gz QJUNUATUEFNFHT-IUODEOHRSA-N 0 3 242.322 3.258 20 0 BGADHN C[C@H]1CCN(Cc2ccno2)[C@H]1c1ccccc1 ZINC000886543550 592255604 /nfs/dbraw/zinc/25/56/04/592255604.db2.gz QJUNUATUEFNFHT-SWLSCSKDSA-N 0 3 242.322 3.258 20 0 BGADHN C[C@H]1CCN(Cc2ccno2)[C@@H]1c1ccccc1 ZINC000886543551 592254790 /nfs/dbraw/zinc/25/47/90/592254790.db2.gz QJUNUATUEFNFHT-WFASDCNBSA-N 0 3 242.322 3.258 20 0 BGADHN Cc1cc(C)nc(N[C@@H]2CCc3cccnc32)c1 ZINC000886578322 592267591 /nfs/dbraw/zinc/26/75/91/592267591.db2.gz RQVFARXSIDABQQ-CYBMUJFWSA-N 0 3 239.322 3.193 20 0 BGADHN Cc1cc(C)nc(N[C@H]2CCc3cccnc32)c1 ZINC000886578323 592267755 /nfs/dbraw/zinc/26/77/55/592267755.db2.gz RQVFARXSIDABQQ-ZDUSSCGKSA-N 0 3 239.322 3.193 20 0 BGADHN CC(C)(C)C1CC(N[C@@H]2CCc3cccnc32)C1 ZINC000886615367 592276412 /nfs/dbraw/zinc/27/64/12/592276412.db2.gz DWOVEMQZUBKXHM-JXQTWKCFSA-N 0 3 244.382 3.483 20 0 BGADHN CC(C)(C)C1CC(N[C@H]2CCc3cccnc32)C1 ZINC000886615368 592276346 /nfs/dbraw/zinc/27/63/46/592276346.db2.gz DWOVEMQZUBKXHM-RUXDESIVSA-N 0 3 244.382 3.483 20 0 BGADHN CC(C)[C@H](NCC1=CCCCC1)c1cnn(C)c1 ZINC000886615936 592276415 /nfs/dbraw/zinc/27/64/15/592276415.db2.gz RKDNTNTULOBVPS-HNNXBMFYSA-N 0 3 247.386 3.207 20 0 BGADHN CC(C)[C@@H](NCC1=CCCCC1)c1cnn(C)c1 ZINC000886615937 592276353 /nfs/dbraw/zinc/27/63/53/592276353.db2.gz RKDNTNTULOBVPS-OAHLLOKOSA-N 0 3 247.386 3.207 20 0 BGADHN CC(C)(C)C[C@@H]1C[C@H]1N[C@@H]1CCc2cccnc21 ZINC000886631049 592282766 /nfs/dbraw/zinc/28/27/66/592282766.db2.gz BICAWUGZAVEBRO-BFHYXJOUSA-N 0 3 244.382 3.483 20 0 BGADHN CC(C)(C)C[C@@H]1C[C@H]1N[C@H]1CCc2cccnc21 ZINC000886631050 592283274 /nfs/dbraw/zinc/28/32/74/592283274.db2.gz BICAWUGZAVEBRO-MELADBBJSA-N 0 3 244.382 3.483 20 0 BGADHN CC(C)CC1(N[C@@H]2CCc3cccnc32)CC1 ZINC000886640104 592285469 /nfs/dbraw/zinc/28/54/69/592285469.db2.gz RJLMUSUMYLIBDV-CYBMUJFWSA-N 0 3 230.355 3.237 20 0 BGADHN CC(C)CC1(N[C@H]2CCc3cccnc32)CC1 ZINC000886640105 592286444 /nfs/dbraw/zinc/28/64/44/592286444.db2.gz RJLMUSUMYLIBDV-ZDUSSCGKSA-N 0 3 230.355 3.237 20 0 BGADHN C1=C[C@H](CCCN[C@@H]2CCc3cccnc32)CC1 ZINC000886649739 592288884 /nfs/dbraw/zinc/28/88/84/592288884.db2.gz HNASYIQRELPTQH-DZGCQCFKSA-N 0 3 242.366 3.405 20 0 BGADHN C1=C[C@@H](CCCN[C@H]2CCc3cccnc32)CC1 ZINC000886649740 592288834 /nfs/dbraw/zinc/28/88/34/592288834.db2.gz HNASYIQRELPTQH-HIFRSBDPSA-N 0 3 242.366 3.405 20 0 BGADHN C1=C[C@@H](CCCN[C@@H]2CCc3cccnc32)CC1 ZINC000886649741 592288991 /nfs/dbraw/zinc/28/89/91/592288991.db2.gz HNASYIQRELPTQH-UKRRQHHQSA-N 0 3 242.366 3.405 20 0 BGADHN C1=C[C@H](CCCN[C@H]2CCc3cccnc32)CC1 ZINC000886649742 592288532 /nfs/dbraw/zinc/28/85/32/592288532.db2.gz HNASYIQRELPTQH-ZFWWWQNUSA-N 0 3 242.366 3.405 20 0 BGADHN c1cnc2c(c1)CC[C@@H]2NCC1(CC2CC2)CC1 ZINC000886650513 592289305 /nfs/dbraw/zinc/28/93/05/592289305.db2.gz YENNNZQLGHMYCQ-AWEZNQCLSA-N 0 3 242.366 3.239 20 0 BGADHN c1cnc2c(c1)CC[C@H]2NCC1(CC2CC2)CC1 ZINC000886650514 592289137 /nfs/dbraw/zinc/28/91/37/592289137.db2.gz YENNNZQLGHMYCQ-CQSZACIVSA-N 0 3 242.366 3.239 20 0 BGADHN COCCC[C@@H](C)NCc1cscc1Cl ZINC000886656632 592292083 /nfs/dbraw/zinc/29/20/83/592292083.db2.gz MLBZEMCVMFGXGS-SECBINFHSA-N 0 3 247.791 3.306 20 0 BGADHN COCCC[C@H](C)NCc1cscc1Cl ZINC000886656633 592292315 /nfs/dbraw/zinc/29/23/15/592292315.db2.gz MLBZEMCVMFGXGS-VIFPVBQESA-N 0 3 247.791 3.306 20 0 BGADHN COC(C)(C)[C@@H](C)NCc1cscc1Cl ZINC000886658138 592291649 /nfs/dbraw/zinc/29/16/49/592291649.db2.gz RFQUJVIOKBJMRE-MRVPVSSYSA-N 0 3 247.791 3.305 20 0 BGADHN COC(C)(C)[C@H](C)NCc1cscc1Cl ZINC000886658139 592291965 /nfs/dbraw/zinc/29/19/65/592291965.db2.gz RFQUJVIOKBJMRE-QMMMGPOBSA-N 0 3 247.791 3.305 20 0 BGADHN CC(C)=CCN1CCC(c2nc(C)c(C)[nH]2)CC1 ZINC000886660575 592292867 /nfs/dbraw/zinc/29/28/67/592292867.db2.gz AICLNAMORUYZHJ-UHFFFAOYSA-N 0 3 247.386 3.172 20 0 BGADHN CCCCCCN1CCC[C@H](c2ncccn2)C1 ZINC000886681085 592302067 /nfs/dbraw/zinc/30/20/67/592302067.db2.gz RRGYCDONRIDDAJ-AWEZNQCLSA-N 0 3 247.386 3.236 20 0 BGADHN CCCCCCN1CCC[C@@H](c2ncccn2)C1 ZINC000886681086 592302585 /nfs/dbraw/zinc/30/25/85/592302585.db2.gz RRGYCDONRIDDAJ-CQSZACIVSA-N 0 3 247.386 3.236 20 0 BGADHN CCCC[C@H](C)NCc1cc(C2CC2)no1 ZINC000886682456 592301391 /nfs/dbraw/zinc/30/13/91/592301391.db2.gz HSLPLJXVHMPAHK-JTQLQIEISA-N 0 3 222.332 3.220 20 0 BGADHN CCCC[C@@H](C)NCc1cc(C2CC2)no1 ZINC000886682457 592302152 /nfs/dbraw/zinc/30/21/52/592302152.db2.gz HSLPLJXVHMPAHK-SNVBAGLBSA-N 0 3 222.332 3.220 20 0 BGADHN C[C@@H]1CC[C@@H](C)[C@@H](NCc2cc(C3CC3)no2)C1 ZINC000886683930 592301547 /nfs/dbraw/zinc/30/15/47/592301547.db2.gz APXVFDKXJCTKFZ-GYSYKLTISA-N 0 3 248.370 3.466 20 0 BGADHN C[C@@H]1CC[C@@H](C)[C@H](NCc2cc(C3CC3)no2)C1 ZINC000886683931 592301325 /nfs/dbraw/zinc/30/13/25/592301325.db2.gz APXVFDKXJCTKFZ-JTNHKYCSSA-N 0 3 248.370 3.466 20 0 BGADHN C[C@@H]1CC[C@H](C)[C@@H](NCc2cc(C3CC3)no2)C1 ZINC000886683932 592302492 /nfs/dbraw/zinc/30/24/92/592302492.db2.gz APXVFDKXJCTKFZ-SUNKGSAMSA-N 0 3 248.370 3.466 20 0 BGADHN C[C@@H]1CC[C@H](C)[C@H](NCc2cc(C3CC3)no2)C1 ZINC000886683933 592302003 /nfs/dbraw/zinc/30/20/03/592302003.db2.gz APXVFDKXJCTKFZ-UHIISALHSA-N 0 3 248.370 3.466 20 0 BGADHN CC(C)[C@H]1CC[C@H]1NCc1cc(C2CC2)no1 ZINC000886684127 592301216 /nfs/dbraw/zinc/30/12/16/592301216.db2.gz FPYIRQPKPHJIIJ-CHWSQXEVSA-N 0 3 234.343 3.076 20 0 BGADHN CC(C)[C@H]1CC[C@@H]1NCc1cc(C2CC2)no1 ZINC000886684128 592301765 /nfs/dbraw/zinc/30/17/65/592301765.db2.gz FPYIRQPKPHJIIJ-OLZOCXBDSA-N 0 3 234.343 3.076 20 0 BGADHN CC(C)[C@@H]1CC[C@H]1NCc1cc(C2CC2)no1 ZINC000886684129 592301087 /nfs/dbraw/zinc/30/10/87/592301087.db2.gz FPYIRQPKPHJIIJ-QWHCGFSZSA-N 0 3 234.343 3.076 20 0 BGADHN CC(C)[C@@H]1CC[C@@H]1NCc1cc(C2CC2)no1 ZINC000886684130 592301656 /nfs/dbraw/zinc/30/16/56/592301656.db2.gz FPYIRQPKPHJIIJ-STQMWFEESA-N 0 3 234.343 3.076 20 0 BGADHN CC(C)(C)[C@@H]1CC[C@H]1NCc1cc(C2CC2)no1 ZINC000886684233 592301911 /nfs/dbraw/zinc/30/19/11/592301911.db2.gz HXHPHODCPPACBM-CHWSQXEVSA-N 0 3 248.370 3.466 20 0 BGADHN CC(C)(C)[C@@H]1CC[C@@H]1NCc1cc(C2CC2)no1 ZINC000886684234 592301557 /nfs/dbraw/zinc/30/15/57/592301557.db2.gz HXHPHODCPPACBM-OLZOCXBDSA-N 0 3 248.370 3.466 20 0 BGADHN CC(C)(C)[C@H]1CC[C@H]1NCc1cc(C2CC2)no1 ZINC000886684235 592302755 /nfs/dbraw/zinc/30/27/55/592302755.db2.gz HXHPHODCPPACBM-QWHCGFSZSA-N 0 3 248.370 3.466 20 0 BGADHN CC(C)(C)[C@H]1CC[C@@H]1NCc1cc(C2CC2)no1 ZINC000886684236 592301019 /nfs/dbraw/zinc/30/10/19/592301019.db2.gz HXHPHODCPPACBM-STQMWFEESA-N 0 3 248.370 3.466 20 0 BGADHN CC(C)[C@@H]1CCC[C@@H]1NCc1cc(C2CC2)no1 ZINC000886684280 592303110 /nfs/dbraw/zinc/30/31/10/592303110.db2.gz IUZYWLYOCBVEGP-KBPBESRZSA-N 0 3 248.370 3.466 20 0 BGADHN CC(C)[C@H]1CCC[C@@H]1NCc1cc(C2CC2)no1 ZINC000886684281 592301836 /nfs/dbraw/zinc/30/18/36/592301836.db2.gz IUZYWLYOCBVEGP-KGLIPLIRSA-N 0 3 248.370 3.466 20 0 BGADHN CC(C)[C@@H]1CCC[C@H]1NCc1cc(C2CC2)no1 ZINC000886684282 592302891 /nfs/dbraw/zinc/30/28/91/592302891.db2.gz IUZYWLYOCBVEGP-UONOGXRCSA-N 0 3 248.370 3.466 20 0 BGADHN CC(C)[C@H]1CCC[C@H]1NCc1cc(C2CC2)no1 ZINC000886684283 592302310 /nfs/dbraw/zinc/30/23/10/592302310.db2.gz IUZYWLYOCBVEGP-ZIAGYGMSSA-N 0 3 248.370 3.466 20 0 BGADHN CC[C@@H](NCc1cc(C2CC2)no1)C1CCC1 ZINC000886684662 592302915 /nfs/dbraw/zinc/30/29/15/592302915.db2.gz PLVYGNLCUDILKY-CYBMUJFWSA-N 0 3 234.343 3.220 20 0 BGADHN CC[C@H](NCc1cc(C2CC2)no1)C1CCC1 ZINC000886684663 592301376 /nfs/dbraw/zinc/30/13/76/592301376.db2.gz PLVYGNLCUDILKY-ZDUSSCGKSA-N 0 3 234.343 3.220 20 0 BGADHN CC[C@H](NCc1cc(C2CC2)no1)[C@@H]1C[C@@H]1C ZINC000886684692 592301177 /nfs/dbraw/zinc/30/11/77/592301177.db2.gz QCXPJVQOWSOOIO-BIMULSAOSA-N 0 3 234.343 3.076 20 0 BGADHN CC[C@H](NCc1cc(C2CC2)no1)[C@H]1C[C@H]1C ZINC000886684693 592301697 /nfs/dbraw/zinc/30/16/97/592301697.db2.gz QCXPJVQOWSOOIO-ICCXJUOJSA-N 0 3 234.343 3.076 20 0 BGADHN CC[C@H](NCc1cc(C2CC2)no1)[C@@H]1C[C@H]1C ZINC000886684694 592302360 /nfs/dbraw/zinc/30/23/60/592302360.db2.gz QCXPJVQOWSOOIO-WQAKAFBOSA-N 0 3 234.343 3.076 20 0 BGADHN CC[C@H](NCc1cc(C2CC2)no1)[C@H]1C[C@@H]1C ZINC000886684695 592301573 /nfs/dbraw/zinc/30/15/73/592301573.db2.gz QCXPJVQOWSOOIO-XDTLVQLUSA-N 0 3 234.343 3.076 20 0 BGADHN c1c(CN[C@H]2CCCC23CCC3)onc1C1CC1 ZINC000886684734 592301588 /nfs/dbraw/zinc/30/15/88/592301588.db2.gz RCLCELJMHGTTEK-AWEZNQCLSA-N 0 3 246.354 3.364 20 0 BGADHN c1c(CN[C@@H]2CCCC23CCC3)onc1C1CC1 ZINC000886684735 592302431 /nfs/dbraw/zinc/30/24/31/592302431.db2.gz RCLCELJMHGTTEK-CQSZACIVSA-N 0 3 246.354 3.364 20 0 BGADHN C[C@]12C[C@H]1CCC[C@H]2NCc1cc(C2CC2)no1 ZINC000886684820 592302252 /nfs/dbraw/zinc/30/22/52/592302252.db2.gz SWMXACDTPBEZGQ-DFBGVHRSSA-N 0 3 246.354 3.220 20 0 BGADHN C[C@]12C[C@H]1CCC[C@@H]2NCc1cc(C2CC2)no1 ZINC000886684822 592303052 /nfs/dbraw/zinc/30/30/52/592303052.db2.gz SWMXACDTPBEZGQ-UGFHNGPFSA-N 0 3 246.354 3.220 20 0 BGADHN c1c(CN[C@H]2CC[C@H]2C2CCC2)onc1C1CC1 ZINC000886685032 592302800 /nfs/dbraw/zinc/30/28/00/592302800.db2.gz YTAFIXJAVZPZLG-KBPBESRZSA-N 0 3 246.354 3.220 20 0 BGADHN c1c(CN[C@H]2CC[C@@H]2C2CCC2)onc1C1CC1 ZINC000886685033 592302707 /nfs/dbraw/zinc/30/27/07/592302707.db2.gz YTAFIXJAVZPZLG-KGLIPLIRSA-N 0 3 246.354 3.220 20 0 BGADHN c1c(CN[C@@H]2CC[C@H]2C2CCC2)onc1C1CC1 ZINC000886685034 592302276 /nfs/dbraw/zinc/30/22/76/592302276.db2.gz YTAFIXJAVZPZLG-UONOGXRCSA-N 0 3 246.354 3.220 20 0 BGADHN c1c(CN[C@@H]2CC[C@@H]2C2CCC2)onc1C1CC1 ZINC000886685035 592302017 /nfs/dbraw/zinc/30/20/17/592302017.db2.gz YTAFIXJAVZPZLG-ZIAGYGMSSA-N 0 3 246.354 3.220 20 0 BGADHN CC/C=C\CCN1CCC[C@H](c2ncccn2)C1 ZINC000886686021 592302186 /nfs/dbraw/zinc/30/21/86/592302186.db2.gz IDMWAGQIKYOEFW-NQHOJNORSA-N 0 3 245.370 3.012 20 0 BGADHN CC/C=C/CCN1CCC[C@@H](c2ncccn2)C1 ZINC000886686022 592302735 /nfs/dbraw/zinc/30/27/35/592302735.db2.gz IDMWAGQIKYOEFW-RDFMZFSFSA-N 0 3 245.370 3.012 20 0 BGADHN CC/C=C\CCN1CCC[C@@H](c2ncccn2)C1 ZINC000886686023 592303153 /nfs/dbraw/zinc/30/31/53/592303153.db2.gz IDMWAGQIKYOEFW-VQTKUKTRSA-N 0 3 245.370 3.012 20 0 BGADHN CC/C=C/CCN1CCC[C@H](c2ncccn2)C1 ZINC000886686024 592303171 /nfs/dbraw/zinc/30/31/71/592303171.db2.gz IDMWAGQIKYOEFW-XGACYXMMSA-N 0 3 245.370 3.012 20 0 BGADHN c1c(CN[C@@H]2CCCC3(CC3)C2)onc1C1CC1 ZINC000886686041 592301879 /nfs/dbraw/zinc/30/18/79/592301879.db2.gz IQZRJPRURQFQGQ-GFCCVEGCSA-N 0 3 246.354 3.364 20 0 BGADHN c1c(CN[C@H]2CCCC3(CC3)C2)onc1C1CC1 ZINC000886686042 592301064 /nfs/dbraw/zinc/30/10/64/592301064.db2.gz IQZRJPRURQFQGQ-LBPRGKRZSA-N 0 3 246.354 3.364 20 0 BGADHN Cc1cc([C@@H](C)NC2CCC=CCC2)no1 ZINC000886815500 592336963 /nfs/dbraw/zinc/33/69/63/592336963.db2.gz FFHDGKUGRZVEOX-LLVKDONJSA-N 0 3 220.316 3.132 20 0 BGADHN Cc1cc([C@H](C)NC2CCC=CCC2)no1 ZINC000886815501 592338368 /nfs/dbraw/zinc/33/83/68/592338368.db2.gz FFHDGKUGRZVEOX-NSHDSACASA-N 0 3 220.316 3.132 20 0 BGADHN CCn1ccnc1[C@@H](C)NC1CCC=CCC1 ZINC000886815759 592338388 /nfs/dbraw/zinc/33/83/88/592338388.db2.gz JKTTZUIQSSCIPG-GFCCVEGCSA-N 0 3 233.359 3.052 20 0 BGADHN CCn1ccnc1[C@H](C)NC1CCC=CCC1 ZINC000886815760 592337410 /nfs/dbraw/zinc/33/74/10/592337410.db2.gz JKTTZUIQSSCIPG-LBPRGKRZSA-N 0 3 233.359 3.052 20 0 BGADHN Cc1csc([C@H](C)NC2(C3CC3)CCC2)n1 ZINC000886824511 592347642 /nfs/dbraw/zinc/34/76/42/592347642.db2.gz AVUGUIIGJAVFDA-JTQLQIEISA-N 0 3 236.384 3.435 20 0 BGADHN Cc1csc([C@@H](C)NC2(C3CC3)CCC2)n1 ZINC000886824512 592347203 /nfs/dbraw/zinc/34/72/03/592347203.db2.gz AVUGUIIGJAVFDA-SNVBAGLBSA-N 0 3 236.384 3.435 20 0 BGADHN C[C@@H](NC1(C2CC2)CCC1)c1nccs1 ZINC000886824531 592346789 /nfs/dbraw/zinc/34/67/89/592346789.db2.gz BHIMLQLHHFROAF-SECBINFHSA-N 0 3 222.357 3.126 20 0 BGADHN C[C@H](NC1(C2CC2)CCC1)c1nccs1 ZINC000886824532 592347453 /nfs/dbraw/zinc/34/74/53/592347453.db2.gz BHIMLQLHHFROAF-VIFPVBQESA-N 0 3 222.357 3.126 20 0 BGADHN c1nc2c(s1)CCC[C@H]2NC1(C2CC2)CCC1 ZINC000886824581 592347595 /nfs/dbraw/zinc/34/75/95/592347595.db2.gz BVMRJJYOZWANGN-LLVKDONJSA-N 0 3 248.395 3.443 20 0 BGADHN c1nc2c(s1)CCC[C@@H]2NC1(C2CC2)CCC1 ZINC000886824582 592346373 /nfs/dbraw/zinc/34/63/73/592346373.db2.gz BVMRJJYOZWANGN-NSHDSACASA-N 0 3 248.395 3.443 20 0 BGADHN Cc1nc([C@@H](C)NC2(C3CC3)CCC2)cs1 ZINC000886824971 592347251 /nfs/dbraw/zinc/34/72/51/592347251.db2.gz KFAXRTHGYQSQFM-SECBINFHSA-N 0 3 236.384 3.435 20 0 BGADHN Cc1nc([C@H](C)NC2(C3CC3)CCC2)cs1 ZINC000886824972 592347023 /nfs/dbraw/zinc/34/70/23/592347023.db2.gz KFAXRTHGYQSQFM-VIFPVBQESA-N 0 3 236.384 3.435 20 0 BGADHN C[C@H](NC1(C2CC2)CCC1)c1ccco1 ZINC000886825295 592349247 /nfs/dbraw/zinc/34/92/47/592349247.db2.gz QCUIHVGXSUSYDV-JTQLQIEISA-N 0 3 205.301 3.263 20 0 BGADHN C[C@@H](NC1(C2CC2)CCC1)c1ccco1 ZINC000886825296 592349318 /nfs/dbraw/zinc/34/93/18/592349318.db2.gz QCUIHVGXSUSYDV-SNVBAGLBSA-N 0 3 205.301 3.263 20 0 BGADHN C[C@H](NC1(C2CC2)CCC1)c1ccc(F)cn1 ZINC000886825391 592349156 /nfs/dbraw/zinc/34/91/56/592349156.db2.gz RULWPZGYLNUKSN-JTQLQIEISA-N 0 3 234.318 3.204 20 0 BGADHN C[C@@H](NC1(C2CC2)CCC1)c1ccc(F)cn1 ZINC000886825392 592349041 /nfs/dbraw/zinc/34/90/41/592349041.db2.gz RULWPZGYLNUKSN-SNVBAGLBSA-N 0 3 234.318 3.204 20 0 BGADHN C[C@@H](NC1(C2CC2)CCC1)c1cscn1 ZINC000886825461 592348317 /nfs/dbraw/zinc/34/83/17/592348317.db2.gz UNODVFVMPWVEQC-SECBINFHSA-N 0 3 222.357 3.126 20 0 BGADHN C[C@H](NC1(C2CC2)CCC1)c1cscn1 ZINC000886825462 592348081 /nfs/dbraw/zinc/34/80/81/592348081.db2.gz UNODVFVMPWVEQC-VIFPVBQESA-N 0 3 222.357 3.126 20 0 BGADHN CSCCNC(C)(C)c1ccc(F)cc1F ZINC000886898000 592392971 /nfs/dbraw/zinc/39/29/71/592392971.db2.gz OOAIVVNGRVOQRO-UHFFFAOYSA-N 0 3 245.338 3.153 20 0 BGADHN CC(C)(NCCCF)c1ccc(F)cc1F ZINC000886901057 592392748 /nfs/dbraw/zinc/39/27/48/592392748.db2.gz OKVJOBIETNMUQW-UHFFFAOYSA-N 0 3 231.261 3.149 20 0 BGADHN CC[C@H](NCC(C)=O)c1cccc2ccccc21 ZINC000886920770 592396086 /nfs/dbraw/zinc/39/60/86/592396086.db2.gz JHJDAJZIEUMQFJ-INIZCTEOSA-N 0 3 241.334 3.470 20 0 BGADHN CC[C@@H](NCC(C)=O)c1cccc2ccccc21 ZINC000886920771 592395772 /nfs/dbraw/zinc/39/57/72/592395772.db2.gz JHJDAJZIEUMQFJ-MRXNPFEDSA-N 0 3 241.334 3.470 20 0 BGADHN Fc1cccc2c1CC[C@@H]2NC/C=C\Cl ZINC000886921049 592396015 /nfs/dbraw/zinc/39/60/15/592396015.db2.gz VQDCFLQWPYBNPW-PHATZWCLSA-N 0 3 225.694 3.155 20 0 BGADHN Fc1cccc2c1CC[C@@H]2NC/C=C/Cl ZINC000886921050 592395062 /nfs/dbraw/zinc/39/50/62/592395062.db2.gz VQDCFLQWPYBNPW-YGOPWGPOSA-N 0 3 225.694 3.155 20 0 BGADHN Fc1cccc2c1CC[C@H]2NC/C=C/Cl ZINC000886924309 592397634 /nfs/dbraw/zinc/39/76/34/592397634.db2.gz VQDCFLQWPYBNPW-IBPQLXRUSA-N 0 3 225.694 3.155 20 0 BGADHN Fc1cccc2c1CC[C@H]2NC/C=C\Cl ZINC000886924310 592397373 /nfs/dbraw/zinc/39/73/73/592397373.db2.gz VQDCFLQWPYBNPW-QXYGSRGCSA-N 0 3 225.694 3.155 20 0 BGADHN CN(CCCF)Cc1ccccc1OC(F)F ZINC000887136576 592451142 /nfs/dbraw/zinc/45/11/42/592451142.db2.gz WZSGWBZRUXUBSP-UHFFFAOYSA-N 0 3 247.260 3.079 20 0 BGADHN Cc1cc(CN(C)CCCF)c(C)s1 ZINC000887137391 592450373 /nfs/dbraw/zinc/45/03/73/592450373.db2.gz GGSASFBBNAIFPE-UHFFFAOYSA-N 0 3 215.337 3.156 20 0 BGADHN CN(CCCF)CCSc1ccccc1F ZINC000887137435 592452054 /nfs/dbraw/zinc/45/20/54/592452054.db2.gz IFASGSIZBAMRDF-UHFFFAOYSA-N 0 3 245.338 3.209 20 0 BGADHN CN(CCCF)CCSc1ccc(F)cc1 ZINC000887137820 592450521 /nfs/dbraw/zinc/45/05/21/592450521.db2.gz UJXSUXDQJJZGRT-UHFFFAOYSA-N 0 3 245.338 3.209 20 0 BGADHN CN(CCCF)CCSc1ccccc1 ZINC000887138557 592452950 /nfs/dbraw/zinc/45/29/50/592452950.db2.gz BHHSAIIDPJYWOK-UHFFFAOYSA-N 0 3 227.348 3.070 20 0 BGADHN CC(C)Oc1ccccc1CN(C)CCCF ZINC000887138564 592453566 /nfs/dbraw/zinc/45/35/66/592453566.db2.gz BPDMJLMUQIBQMM-UHFFFAOYSA-N 0 3 239.334 3.265 20 0 BGADHN CN(CCCF)CCc1c(F)cccc1Cl ZINC000887138597 592452885 /nfs/dbraw/zinc/45/28/85/592452885.db2.gz DCRUTVKTNHCQFE-UHFFFAOYSA-N 0 3 247.716 3.313 20 0 BGADHN CC(C)Oc1ccc(CN(C)CCCF)cc1 ZINC000887138598 592453497 /nfs/dbraw/zinc/45/34/97/592453497.db2.gz DCTBFFBIRKWWIX-UHFFFAOYSA-N 0 3 239.334 3.265 20 0 BGADHN CN(CCCF)CCOC1CCCCCC1 ZINC000887138628 592452432 /nfs/dbraw/zinc/45/24/32/592452432.db2.gz FCAACZYQRZGFNS-UHFFFAOYSA-N 0 3 231.355 3.017 20 0 BGADHN Cc1cc(CN(C)CCCF)c2ccccc2n1 ZINC000887138635 592452540 /nfs/dbraw/zinc/45/25/40/592452540.db2.gz FICUBQMVYQDPJK-UHFFFAOYSA-N 0 3 246.329 3.335 20 0 BGADHN CN(CCCF)[C@@H]1CCc2ccc(F)cc21 ZINC000887139006 592455343 /nfs/dbraw/zinc/45/53/43/592455343.db2.gz WAJRRABPPDZBEC-CYBMUJFWSA-N 0 3 225.282 3.104 20 0 BGADHN CN(CCCF)[C@H]1CCc2ccc(F)cc21 ZINC000887139007 592455739 /nfs/dbraw/zinc/45/57/39/592455739.db2.gz WAJRRABPPDZBEC-ZDUSSCGKSA-N 0 3 225.282 3.104 20 0 BGADHN CN(CCCF)Cc1cccc(C(F)F)c1 ZINC000887141020 592455076 /nfs/dbraw/zinc/45/50/76/592455076.db2.gz BNRMQNMYGYSIOI-UHFFFAOYSA-N 0 3 231.261 3.416 20 0 BGADHN CCCOc1ccc(CN(C)CCCF)cc1 ZINC000887141209 592456910 /nfs/dbraw/zinc/45/69/10/592456910.db2.gz JXJCDMZPNKJLMP-UHFFFAOYSA-N 0 3 239.334 3.267 20 0 BGADHN CCc1ccccc1CN(C)CCCF ZINC000887141294 592456481 /nfs/dbraw/zinc/45/64/81/592456481.db2.gz NCYCPFBZDFQAGF-UHFFFAOYSA-N 0 3 209.308 3.040 20 0 BGADHN CN(CCCF)Cc1ccc(C(F)F)cc1 ZINC000887141342 592457487 /nfs/dbraw/zinc/45/74/87/592457487.db2.gz PDXQURZQAZPGJA-UHFFFAOYSA-N 0 3 231.261 3.416 20 0 BGADHN CN(CCCF)Cc1cncc2ccccc21 ZINC000887141440 592457427 /nfs/dbraw/zinc/45/74/27/592457427.db2.gz UJQMMYINWIGGFJ-UHFFFAOYSA-N 0 3 232.302 3.026 20 0 BGADHN CN(CCCF)Cc1ccc2ncccc2c1 ZINC000887141462 592456843 /nfs/dbraw/zinc/45/68/43/592456843.db2.gz VBVWSNCOBZLZMV-UHFFFAOYSA-N 0 3 232.302 3.026 20 0 BGADHN CCc1cccc(CN(C)CCCF)c1 ZINC000887141511 592456442 /nfs/dbraw/zinc/45/64/42/592456442.db2.gz XGUBQFWAFUIVMM-UHFFFAOYSA-N 0 3 209.308 3.040 20 0 BGADHN Cc1nc(C(C)C)ccc1CN(C)CCCF ZINC000887142288 592459090 /nfs/dbraw/zinc/45/90/90/592459090.db2.gz DFNFHLGBDWTVRQ-UHFFFAOYSA-N 0 3 238.350 3.305 20 0 BGADHN CN(CCCF)Cc1ccc(C2CC2)cc1 ZINC000887142309 592459192 /nfs/dbraw/zinc/45/91/92/592459192.db2.gz FCSPBXPCVQUVLM-UHFFFAOYSA-N 0 3 221.319 3.355 20 0 BGADHN CN(CCCF)Cc1ccccc1OC1CC1 ZINC000887142325 585447208 /nfs/dbraw/zinc/44/72/08/585447208.db2.gz FQODANMUDVOFFV-UHFFFAOYSA-N 0 3 237.318 3.019 20 0 BGADHN Cc1ccc2ncc(CN(C)CCCF)cc2c1 ZINC000887142380 592459023 /nfs/dbraw/zinc/45/90/23/592459023.db2.gz HTVGSGSWTPNFJY-UHFFFAOYSA-N 0 3 246.329 3.335 20 0 BGADHN COc1cc(CN(C)CCCF)ccc1Cl ZINC000887142430 592459678 /nfs/dbraw/zinc/45/96/78/592459678.db2.gz JTDJPNKEVLRYJO-UHFFFAOYSA-N 0 3 245.725 3.140 20 0 BGADHN CN(CCCF)Cc1ccccc1C1CC1 ZINC000887142460 592458601 /nfs/dbraw/zinc/45/86/01/592458601.db2.gz KXGFVVRMKVBQPT-UHFFFAOYSA-N 0 3 221.319 3.355 20 0 BGADHN CN(CCCF)Cc1cnc2ccccc2c1 ZINC000887142731 592459161 /nfs/dbraw/zinc/45/91/61/592459161.db2.gz XWAZTYSVUYSSHX-UHFFFAOYSA-N 0 3 232.302 3.026 20 0 BGADHN CSc1cccc(CN(C)CCCF)c1 ZINC000887142755 592459971 /nfs/dbraw/zinc/45/99/71/592459971.db2.gz YROFROOJPZWQNT-UHFFFAOYSA-N 0 3 227.348 3.200 20 0 BGADHN CCCOc1cccc(CN(C)CCCF)c1 ZINC000887142773 592459693 /nfs/dbraw/zinc/45/96/93/592459693.db2.gz ZKSKOKRJZOJUNZ-UHFFFAOYSA-N 0 3 239.334 3.267 20 0 BGADHN Clc1cccc(CNC2(C3CC3)CCC2)n1 ZINC000887146284 592461049 /nfs/dbraw/zinc/46/10/49/592461049.db2.gz ORZOIPJNYLIBCA-UHFFFAOYSA-N 0 3 236.746 3.157 20 0 BGADHN Cc1nsc(C)c1CNC1(C2CC2)CCC1 ZINC000887148467 592459084 /nfs/dbraw/zinc/45/90/84/592459084.db2.gz DFSFSQXNCOHUPZ-UHFFFAOYSA-N 0 3 236.384 3.182 20 0 BGADHN CCCN(Cc1ccnn1C1CCC1)CC1CC1 ZINC000891393199 582676518 /nfs/dbraw/zinc/67/65/18/582676518.db2.gz CCPNXLOVKSLAGZ-UHFFFAOYSA-N 0 3 247.386 3.230 20 0 BGADHN CCCN(CC)Cc1c(C)nn(C(C)C)c1C ZINC000891399244 582677692 /nfs/dbraw/zinc/67/76/92/582677692.db2.gz IMMJEQKGHHSYMO-UHFFFAOYSA-N 0 3 237.391 3.313 20 0 BGADHN CCN(Cc1nccn1C1CC1)C1CCCCC1 ZINC000891438083 631256878 /nfs/dbraw/zinc/25/68/78/631256878.db2.gz DXGDGWDKOLIYMN-UHFFFAOYSA-N 0 3 247.386 3.373 20 0 BGADHN CCN(CC)Cc1ccc(CC(C)C)nc1 ZINC000891438168 582684997 /nfs/dbraw/zinc/68/49/97/582684997.db2.gz HNVFWXXOYSRPGQ-UHFFFAOYSA-N 0 3 220.360 3.122 20 0 BGADHN COc1ccc(CN([C@H](C)C(C)C)C2CC2)o1 ZINC000891438577 582685015 /nfs/dbraw/zinc/68/50/15/582685015.db2.gz PTUXSSXZXMZGAU-LLVKDONJSA-N 0 3 237.343 3.297 20 0 BGADHN COc1ccc(CN([C@@H](C)C(C)C)C2CC2)o1 ZINC000891438579 582685037 /nfs/dbraw/zinc/68/50/37/582685037.db2.gz PTUXSSXZXMZGAU-NSHDSACASA-N 0 3 237.343 3.297 20 0 BGADHN CC(C)CN(Cc1nccn1C1CC1)CC(C)C ZINC000891443129 631302779 /nfs/dbraw/zinc/30/27/79/631302779.db2.gz FFLBOWMQGDDEEP-UHFFFAOYSA-N 0 3 249.402 3.332 20 0 BGADHN CC[C@@H]1CCCCN1Cc1cnc(F)c(C)c1 ZINC000891444128 582686618 /nfs/dbraw/zinc/68/66/18/582686618.db2.gz NBYKQCCBMCTZPP-CYBMUJFWSA-N 0 3 236.334 3.294 20 0 BGADHN CC[C@H]1CCCCN1Cc1cnc(F)c(C)c1 ZINC000891444129 582686607 /nfs/dbraw/zinc/68/66/07/582686607.db2.gz NBYKQCCBMCTZPP-ZDUSSCGKSA-N 0 3 236.334 3.294 20 0 BGADHN C[C@@H]1C[C@H](C)CN(Cc2ccnn2C2CCC2)C1 ZINC000891444263 631304416 /nfs/dbraw/zinc/30/44/16/631304416.db2.gz HOMRRFGDSNSFEK-BETUJISGSA-N 0 3 247.386 3.086 20 0 BGADHN C[C@@H]1C[C@@H](C)CN(Cc2ccnn2C2CCC2)C1 ZINC000891444265 631304970 /nfs/dbraw/zinc/30/49/70/631304970.db2.gz HOMRRFGDSNSFEK-CHWSQXEVSA-N 0 3 247.386 3.086 20 0 BGADHN C[C@H]1C[C@H](C)CN(Cc2ccnn2C2CCC2)C1 ZINC000891444266 631305192 /nfs/dbraw/zinc/30/51/92/631305192.db2.gz HOMRRFGDSNSFEK-STQMWFEESA-N 0 3 247.386 3.086 20 0 BGADHN CC[C@H]1CCCCN1Cc1cnn(C)c1C1CC1 ZINC000891444431 582686712 /nfs/dbraw/zinc/68/67/12/582686712.db2.gz NUIZLHIPEQYONL-AWEZNQCLSA-N 0 3 247.386 3.062 20 0 BGADHN Cc1cc(CN2C[C@H](C)C[C@@H](C)C2)cnc1F ZINC000891444754 631317021 /nfs/dbraw/zinc/31/70/21/631317021.db2.gz NCLHXMQEYBUOLE-GHMZBOCLSA-N 0 3 236.334 3.007 20 0 BGADHN Cc1cc(CN2C[C@H](C)C[C@H](C)C2)cnc1F ZINC000891444755 631316192 /nfs/dbraw/zinc/31/61/92/631316192.db2.gz NCLHXMQEYBUOLE-PHIMTYICSA-N 0 3 236.334 3.007 20 0 BGADHN Cc1cc(CN2C[C@@H](C)C[C@H](C)C2)cnc1F ZINC000891444757 631316569 /nfs/dbraw/zinc/31/65/69/631316569.db2.gz NCLHXMQEYBUOLE-QWRGUYRKSA-N 0 3 236.334 3.007 20 0 BGADHN CC[C@@H]1CCCCN1Cc1ccnn1C1CCC1 ZINC000891445004 631317189 /nfs/dbraw/zinc/31/71/89/631317189.db2.gz UPKLSUKPJKLSMC-CYBMUJFWSA-N 0 3 247.386 3.373 20 0 BGADHN CC[C@H]1CCCCN1Cc1ccnn1C1CCC1 ZINC000891445005 631315937 /nfs/dbraw/zinc/31/59/37/631315937.db2.gz UPKLSUKPJKLSMC-ZDUSSCGKSA-N 0 3 247.386 3.373 20 0 BGADHN Cc1cc(F)ncc1CN1C[C@H](C)C[C@@H](C)C1 ZINC000891445048 631316800 /nfs/dbraw/zinc/31/68/00/631316800.db2.gz NJTKMMMMZPMVQQ-GHMZBOCLSA-N 0 3 236.334 3.007 20 0 BGADHN Cc1cc(F)ncc1CN1C[C@H](C)C[C@H](C)C1 ZINC000891445052 631317352 /nfs/dbraw/zinc/31/73/52/631317352.db2.gz NJTKMMMMZPMVQQ-PHIMTYICSA-N 0 3 236.334 3.007 20 0 BGADHN Cc1cc(F)ncc1CN1C[C@@H](C)C[C@H](C)C1 ZINC000891445053 631315819 /nfs/dbraw/zinc/31/58/19/631315819.db2.gz NJTKMMMMZPMVQQ-QWRGUYRKSA-N 0 3 236.334 3.007 20 0 BGADHN CC[C@@H]1CCCCN1Cc1ccc(OC)o1 ZINC000891445529 582686865 /nfs/dbraw/zinc/68/68/65/582686865.db2.gz WJASASUBFHMQSB-LLVKDONJSA-N 0 3 223.316 3.053 20 0 BGADHN CC[C@H]1CCCCN1Cc1ccc(OC)o1 ZINC000891445531 582686966 /nfs/dbraw/zinc/68/69/66/582686966.db2.gz WJASASUBFHMQSB-NSHDSACASA-N 0 3 223.316 3.053 20 0 BGADHN Fc1cc(CN2CCCC2)ccc1C(F)F ZINC000891446111 631318105 /nfs/dbraw/zinc/31/81/05/631318105.db2.gz DZNVSBAISVXDRG-UHFFFAOYSA-N 0 3 229.245 3.359 20 0 BGADHN CN(Cc1ccnn1C1CCC1)C1CCCCC1 ZINC000891447285 582687662 /nfs/dbraw/zinc/68/76/62/582687662.db2.gz PCLNPTRSMLYFPI-UHFFFAOYSA-N 0 3 247.386 3.373 20 0 BGADHN CN(Cc1cnn(C2CCC2)c1)C1CCCCC1 ZINC000891447743 582687695 /nfs/dbraw/zinc/68/76/95/582687695.db2.gz VNTOPNUAXZLBLF-UHFFFAOYSA-N 0 3 247.386 3.373 20 0 BGADHN Cc1nn(C(C)C)c(C)c1CN1CCC[C@@H](C)C1 ZINC000891448014 582687555 /nfs/dbraw/zinc/68/75/55/582687555.db2.gz XRWMFPKLVCYYDC-GFCCVEGCSA-N 0 3 249.402 3.313 20 0 BGADHN Cc1nn(C(C)C)c(C)c1CN1CCC[C@H](C)C1 ZINC000891448016 582687631 /nfs/dbraw/zinc/68/76/31/582687631.db2.gz XRWMFPKLVCYYDC-LBPRGKRZSA-N 0 3 249.402 3.313 20 0 BGADHN CN(Cc1cn(C)nc1C1CC1)C1CCCCC1 ZINC000891448139 582687480 /nfs/dbraw/zinc/68/74/80/582687480.db2.gz ZAOUIJLOUZKBSP-UHFFFAOYSA-N 0 3 247.386 3.062 20 0 BGADHN CCCN(CCC)Cc1cnc(F)cc1C ZINC000891448854 582688308 /nfs/dbraw/zinc/68/83/08/582688308.db2.gz FOULHSZCIDEAMV-UHFFFAOYSA-N 0 3 224.323 3.151 20 0 BGADHN CCCN(CCC)Cc1cnc(F)c(C)c1 ZINC000891448964 582688163 /nfs/dbraw/zinc/68/81/63/582688163.db2.gz HLLCAHVJTRTBRK-UHFFFAOYSA-N 0 3 224.323 3.151 20 0 BGADHN CCCN(CCC)Cc1cnn(C2CCC2)c1 ZINC000891449115 582688391 /nfs/dbraw/zinc/68/83/91/582688391.db2.gz KPUZHUVNKUCPJC-UHFFFAOYSA-N 0 3 235.375 3.230 20 0 BGADHN CCCCN(C)Cc1cn(C)nc1C1CCCC1 ZINC000891449225 582688777 /nfs/dbraw/zinc/68/87/77/582688777.db2.gz OPWQBJYUEYBJRC-UHFFFAOYSA-N 0 3 249.402 3.310 20 0 BGADHN CCCN(CCC)Cc1ccnn1C1CCC1 ZINC000891449311 582688789 /nfs/dbraw/zinc/68/87/89/582688789.db2.gz SICGNKHCOPKLBG-UHFFFAOYSA-N 0 3 235.375 3.230 20 0 BGADHN CCCCN(C)Cc1c(C)nn(C(C)C)c1C ZINC000891449458 582688928 /nfs/dbraw/zinc/68/89/28/582688928.db2.gz BTLHYFIOPXZPTK-UHFFFAOYSA-N 0 3 237.391 3.313 20 0 BGADHN CC(C)Cc1ccc(CN(C)C(C)C)cn1 ZINC000891450742 582689160 /nfs/dbraw/zinc/68/91/60/582689160.db2.gz KGKXTQFOQNMVKO-UHFFFAOYSA-N 0 3 220.360 3.120 20 0 BGADHN C[C@@H]1CCCCN1Cc1cnn(CC2CCC2)c1 ZINC000891456291 631371425 /nfs/dbraw/zinc/37/14/25/631371425.db2.gz GBZJZAGDOAEDTP-CYBMUJFWSA-N 0 3 247.386 3.058 20 0 BGADHN C[C@H]1CCCCN1Cc1cnn(CC2CCC2)c1 ZINC000891456294 631371859 /nfs/dbraw/zinc/37/18/59/631371859.db2.gz GBZJZAGDOAEDTP-ZDUSSCGKSA-N 0 3 247.386 3.058 20 0 BGADHN c1cn2cc(CN3CCCCCCC3)sc2n1 ZINC000891456672 582690978 /nfs/dbraw/zinc/69/09/78/582690978.db2.gz KECKPXJTRDQSOA-UHFFFAOYSA-N 0 3 249.383 3.162 20 0 BGADHN COc1ccc(CN2CCCCCCC2)o1 ZINC000891456927 582690633 /nfs/dbraw/zinc/69/06/33/582690633.db2.gz MXHXWKUVZOBRRP-UHFFFAOYSA-N 0 3 223.316 3.054 20 0 BGADHN CCCCN(CC)Cc1ccnn1C1CCC1 ZINC000891456961 582690919 /nfs/dbraw/zinc/69/09/19/582690919.db2.gz OGGQGERBJGGJSB-UHFFFAOYSA-N 0 3 235.375 3.230 20 0 BGADHN c1cc(CN2CCCCCCC2)n(C2CCC2)n1 ZINC000891457221 582690496 /nfs/dbraw/zinc/69/04/96/582690496.db2.gz PWFFMYXRHAIHBV-UHFFFAOYSA-N 0 3 247.386 3.374 20 0 BGADHN CCCCN(CC)Cc1cnc(F)cc1C ZINC000891457525 582690427 /nfs/dbraw/zinc/69/04/27/582690427.db2.gz RRZBKPOCIDUCLU-UHFFFAOYSA-N 0 3 224.323 3.151 20 0 BGADHN CCOc1ccc(CN2CCCC[C@H]2C)o1 ZINC000891457650 631366188 /nfs/dbraw/zinc/36/61/88/631366188.db2.gz VFRZBROTOHAQRP-LLVKDONJSA-N 0 3 223.316 3.053 20 0 BGADHN CCOc1ccc(CN2CCCC[C@@H]2C)o1 ZINC000891457651 631367597 /nfs/dbraw/zinc/36/75/97/631367597.db2.gz VFRZBROTOHAQRP-NSHDSACASA-N 0 3 223.316 3.053 20 0 BGADHN CCn1cc(CN(C)C2CCC(C)CC2)c(C)n1 ZINC000891509262 582693949 /nfs/dbraw/zinc/69/39/49/582693949.db2.gz LJKUGFKOIWTVFD-UHFFFAOYSA-N 0 3 249.402 3.222 20 0 BGADHN c1cc2c(cc1CN1C3CCC1CC3)CCCO2 ZINC000891554769 582696652 /nfs/dbraw/zinc/69/66/52/582696652.db2.gz AFKVQMZWWGMOMP-UHFFFAOYSA-N 0 3 243.350 3.138 20 0 BGADHN Cc1nn(C(C)C)c(C)c1CN1C2CCC1CC2 ZINC000891555303 582696556 /nfs/dbraw/zinc/69/65/56/582696556.db2.gz LHMZAQXIPMYQHI-UHFFFAOYSA-N 0 3 247.386 3.208 20 0 BGADHN c1cc2c(c(CN3C4CCC3CC4)n1)CCCC2 ZINC000891555488 582696550 /nfs/dbraw/zinc/69/65/50/582696550.db2.gz OFVKJRGGRLZNHK-UHFFFAOYSA-N 0 3 242.366 3.087 20 0 BGADHN CC(C)Cc1ccc(CN2C3CCC2CC3)cn1 ZINC000891555491 582696586 /nfs/dbraw/zinc/69/65/86/582696586.db2.gz OKAVCMHTSZWTEV-UHFFFAOYSA-N 0 3 244.382 3.407 20 0 BGADHN C[C@H]1Cc2cc(CN3C4CCC3CC4)ccc2O1 ZINC000891555990 582696588 /nfs/dbraw/zinc/69/65/88/582696588.db2.gz SPFOWJZRYLEGKK-QGLTVNCISA-N 0 3 243.350 3.137 20 0 BGADHN C[C@@H]1Cc2cc(CN3C4CCC3CC4)ccc2O1 ZINC000891555991 582697008 /nfs/dbraw/zinc/69/70/08/582697008.db2.gz SPFOWJZRYLEGKK-VCANKDNSSA-N 0 3 243.350 3.137 20 0 BGADHN CCn1cc(CN(C)CC2CCCCC2)c(C)n1 ZINC000891563841 582697511 /nfs/dbraw/zinc/69/75/11/582697511.db2.gz GULJXJPTKCZNKI-UHFFFAOYSA-N 0 3 249.402 3.224 20 0 BGADHN CC(C)CN(C)Cc1cn(C)nc1C1CCCC1 ZINC000891577348 582698408 /nfs/dbraw/zinc/69/84/08/582698408.db2.gz COFKASXSAOKZCC-UHFFFAOYSA-N 0 3 249.402 3.166 20 0 BGADHN Cc1nn(C(C)C)c(C)c1CN(C)CC(C)C ZINC000891578558 582698631 /nfs/dbraw/zinc/69/86/31/582698631.db2.gz LYEJFECSAJFPGM-UHFFFAOYSA-N 0 3 237.391 3.169 20 0 BGADHN CCCN(C)Cc1ccc(CC(C)C)nc1 ZINC000891579277 582699342 /nfs/dbraw/zinc/69/93/42/582699342.db2.gz WSDLUZYBTVMXER-UHFFFAOYSA-N 0 3 220.360 3.122 20 0 BGADHN CCn1cc(CN(CCC(C)C)C2CC2)c(C)n1 ZINC000891595036 582700231 /nfs/dbraw/zinc/70/02/31/582700231.db2.gz PPBVXZJWWMFLCA-UHFFFAOYSA-N 0 3 249.402 3.222 20 0 BGADHN CCC(CC)N(Cc1cn(CC)nc1C)C1CC1 ZINC000891596068 582700925 /nfs/dbraw/zinc/70/09/25/582700925.db2.gz JQGVGBIOTWZJIK-UHFFFAOYSA-N 0 3 249.402 3.364 20 0 BGADHN CCn1cc(CN(C2CC2)C2CCCC2)c(C)n1 ZINC000891599238 582701843 /nfs/dbraw/zinc/70/18/43/582701843.db2.gz GAKVGXZMQNRSGI-UHFFFAOYSA-N 0 3 247.386 3.118 20 0 BGADHN COc1ccc(CN(C2CC2)C2CCCC2)o1 ZINC000891599268 582701473 /nfs/dbraw/zinc/70/14/73/582701473.db2.gz GXIWCZDMYMMQOK-UHFFFAOYSA-N 0 3 235.327 3.195 20 0 BGADHN Cc1cc(F)ncc1CN(C1CC1)C1CCCC1 ZINC000891600119 582701201 /nfs/dbraw/zinc/70/12/01/582701201.db2.gz REMJNFAFSKPPBC-UHFFFAOYSA-N 0 3 248.345 3.436 20 0 BGADHN Cc1cc(CN(C2CC2)C2CCCC2)cnc1F ZINC000891600749 582700827 /nfs/dbraw/zinc/70/08/27/582700827.db2.gz WUFOGXOREYSXSZ-UHFFFAOYSA-N 0 3 248.345 3.436 20 0 BGADHN CCn1cc(CN(C)[C@H]2CCC[C@@H](C)C2)c(C)n1 ZINC000891603553 582701066 /nfs/dbraw/zinc/70/10/66/582701066.db2.gz XRIKNCVKTKTIGI-DOMZBBRYSA-N 0 3 249.402 3.222 20 0 BGADHN CCn1cc(CN(C)[C@@H]2CCC[C@@H](C)C2)c(C)n1 ZINC000891603554 582700659 /nfs/dbraw/zinc/70/06/59/582700659.db2.gz XRIKNCVKTKTIGI-IUODEOHRSA-N 0 3 249.402 3.222 20 0 BGADHN CCn1cc(CN(C)[C@@H]2CCC[C@H](C)C2)c(C)n1 ZINC000891603555 582700892 /nfs/dbraw/zinc/70/08/92/582700892.db2.gz XRIKNCVKTKTIGI-SWLSCSKDSA-N 0 3 249.402 3.222 20 0 BGADHN CCn1cc(CN(C)[C@H]2CCC[C@H](C)C2)c(C)n1 ZINC000891603556 582700863 /nfs/dbraw/zinc/70/08/63/582700863.db2.gz XRIKNCVKTKTIGI-WFASDCNBSA-N 0 3 249.402 3.222 20 0 BGADHN CC(C)[C@@H](C)N(C)Cc1cnn(CC2CCC2)c1 ZINC000891604698 582700654 /nfs/dbraw/zinc/70/06/54/582700654.db2.gz MFWSRTJCTSCKLH-CYBMUJFWSA-N 0 3 249.402 3.160 20 0 BGADHN CC(C)[C@H](C)N(C)Cc1cnn(CC2CCC2)c1 ZINC000891604699 582700906 /nfs/dbraw/zinc/70/09/06/582700906.db2.gz MFWSRTJCTSCKLH-ZDUSSCGKSA-N 0 3 249.402 3.160 20 0 BGADHN CCOc1ccc(CN(C)[C@H](C)C(C)C)o1 ZINC000891604765 582701230 /nfs/dbraw/zinc/70/12/30/582701230.db2.gz ORMXFSRRIGYKPW-LLVKDONJSA-N 0 3 225.332 3.155 20 0 BGADHN CCOc1ccc(CN(C)[C@@H](C)C(C)C)o1 ZINC000891604766 582701279 /nfs/dbraw/zinc/70/12/79/582701279.db2.gz ORMXFSRRIGYKPW-NSHDSACASA-N 0 3 225.332 3.155 20 0 BGADHN CC(C)[C@@H](C)N(C)Cc1cnn(C2CCC2)c1 ZINC000891605047 582700663 /nfs/dbraw/zinc/70/06/63/582700663.db2.gz XJWYFVOWTOBNBC-GFCCVEGCSA-N 0 3 235.375 3.084 20 0 BGADHN CC(C)[C@H](C)N(C)Cc1cnn(C2CCC2)c1 ZINC000891605048 582700902 /nfs/dbraw/zinc/70/09/02/582700902.db2.gz XJWYFVOWTOBNBC-LBPRGKRZSA-N 0 3 235.375 3.084 20 0 BGADHN CC(C)[C@@H](C)N(C)Cc1ccnn1C1CCC1 ZINC000891605066 582701274 /nfs/dbraw/zinc/70/12/74/582701274.db2.gz XRKKOJMAOKTONP-GFCCVEGCSA-N 0 3 235.375 3.084 20 0 BGADHN CC(C)[C@H](C)N(C)Cc1ccnn1C1CCC1 ZINC000891605067 582701312 /nfs/dbraw/zinc/70/13/12/582701312.db2.gz XRKKOJMAOKTONP-LBPRGKRZSA-N 0 3 235.375 3.084 20 0 BGADHN Cc1cc(F)ncc1CN1CCC[C@@H]1C(C)C ZINC000891616845 582702124 /nfs/dbraw/zinc/70/21/24/582702124.db2.gz BEEDXUTWESFOGF-CYBMUJFWSA-N 0 3 236.334 3.150 20 0 BGADHN Cc1cc(F)ncc1CN1CCC[C@H]1C(C)C ZINC000891616847 582702188 /nfs/dbraw/zinc/70/21/88/582702188.db2.gz BEEDXUTWESFOGF-ZDUSSCGKSA-N 0 3 236.334 3.150 20 0 BGADHN CC(C)C[C@@H]1CCCN1Cc1nccn1C1CC1 ZINC000891616910 582702414 /nfs/dbraw/zinc/70/24/14/582702414.db2.gz CEQBWMSBVGNYDL-AWEZNQCLSA-N 0 3 247.386 3.229 20 0 BGADHN CC(C)C[C@H]1CCCN1Cc1nccn1C1CC1 ZINC000891616911 582702343 /nfs/dbraw/zinc/70/23/43/582702343.db2.gz CEQBWMSBVGNYDL-CQSZACIVSA-N 0 3 247.386 3.229 20 0 BGADHN CCN(Cc1cnc(F)c(C)c1)CC(C)C ZINC000891619308 582702530 /nfs/dbraw/zinc/70/25/30/582702530.db2.gz DBDVCJIPFQJBBX-UHFFFAOYSA-N 0 3 224.323 3.007 20 0 BGADHN CCN(Cc1ccnn1C1CCC1)C1CCCC1 ZINC000891619529 582702628 /nfs/dbraw/zinc/70/26/28/582702628.db2.gz PNIXDGNRNMEIFH-UHFFFAOYSA-N 0 3 247.386 3.373 20 0 BGADHN CCN(Cc1ccnn1C1CCC1)CC(C)C ZINC000891619859 631413335 /nfs/dbraw/zinc/41/33/35/631413335.db2.gz JRWFZBJFXKWLTH-UHFFFAOYSA-N 0 3 235.375 3.086 20 0 BGADHN CN(Cc1ccc(C(F)F)c(F)c1)C1CC1 ZINC000891620206 631414856 /nfs/dbraw/zinc/41/48/56/631414856.db2.gz RRZGVRCQHBLVPT-UHFFFAOYSA-N 0 3 229.245 3.358 20 0 BGADHN CCC[C@@H](C)N(C)Cc1ccnn1C1CCC1 ZINC000891625052 631416862 /nfs/dbraw/zinc/41/68/62/631416862.db2.gz KEVBGNQRJLPMLX-GFCCVEGCSA-N 0 3 235.375 3.229 20 0 BGADHN CCC[C@H](C)N(C)Cc1ccnn1C1CCC1 ZINC000891625053 631418120 /nfs/dbraw/zinc/41/81/20/631418120.db2.gz KEVBGNQRJLPMLX-LBPRGKRZSA-N 0 3 235.375 3.229 20 0 BGADHN CCC[C@@H](C)N(C)Cc1ccc(OCC)o1 ZINC000891625252 582703295 /nfs/dbraw/zinc/70/32/95/582703295.db2.gz MUYXPSABHNHETC-LLVKDONJSA-N 0 3 225.332 3.299 20 0 BGADHN CCC[C@H](C)N(C)Cc1ccc(OCC)o1 ZINC000891625253 582703118 /nfs/dbraw/zinc/70/31/18/582703118.db2.gz MUYXPSABHNHETC-NSHDSACASA-N 0 3 225.332 3.299 20 0 BGADHN CCC[C@@H](C)N(C)Cc1cnc(F)cc1C ZINC000891625286 582703213 /nfs/dbraw/zinc/70/32/13/582703213.db2.gz OMEAMKUFBBXKQH-LLVKDONJSA-N 0 3 224.323 3.150 20 0 BGADHN CCC[C@H](C)N(C)Cc1cnc(F)cc1C ZINC000891625287 582703006 /nfs/dbraw/zinc/70/30/06/582703006.db2.gz OMEAMKUFBBXKQH-NSHDSACASA-N 0 3 224.323 3.150 20 0 BGADHN CCC[C@H](C)N(C)Cc1cn2ccnc2s1 ZINC000891625856 582703184 /nfs/dbraw/zinc/70/31/84/582703184.db2.gz SSIGNQMCMGHLMC-JTQLQIEISA-N 0 3 237.372 3.016 20 0 BGADHN CCC[C@@H](C)N(C)Cc1cn2ccnc2s1 ZINC000891625857 582703524 /nfs/dbraw/zinc/70/35/24/582703524.db2.gz SSIGNQMCMGHLMC-SNVBAGLBSA-N 0 3 237.372 3.016 20 0 BGADHN C[C@H](C1CC1)N(C)Cc1nccc2c1CCCC2 ZINC000891644344 582704438 /nfs/dbraw/zinc/70/44/38/582704438.db2.gz VVUDKILELHODOJ-GFCCVEGCSA-N 0 3 244.382 3.191 20 0 BGADHN C[C@@H](C1CC1)N(C)Cc1nccc2c1CCCC2 ZINC000891644346 582704560 /nfs/dbraw/zinc/70/45/60/582704560.db2.gz VVUDKILELHODOJ-LBPRGKRZSA-N 0 3 244.382 3.191 20 0 BGADHN Cc1nn(C(C)C)c(C)c1CN(C)[C@H](C)C1CC1 ZINC000891644611 582704858 /nfs/dbraw/zinc/70/48/58/582704858.db2.gz YAYHPBYSZXSEIP-GFCCVEGCSA-N 0 3 249.402 3.311 20 0 BGADHN Cc1nn(C(C)C)c(C)c1CN(C)[C@@H](C)C1CC1 ZINC000891644612 582704526 /nfs/dbraw/zinc/70/45/26/582704526.db2.gz YAYHPBYSZXSEIP-LBPRGKRZSA-N 0 3 249.402 3.311 20 0 BGADHN CCCN(Cc1nccn1C1CC1)CC(C)C ZINC000891654447 582706605 /nfs/dbraw/zinc/70/66/05/582706605.db2.gz SOZQKGIUERQROG-UHFFFAOYSA-N 0 3 235.375 3.086 20 0 BGADHN CCOc1ccc(CN(C(C)C)C2CC2)o1 ZINC000891660618 582706974 /nfs/dbraw/zinc/70/69/74/582706974.db2.gz BVSNGUNGYNGNEF-UHFFFAOYSA-N 0 3 223.316 3.051 20 0 BGADHN CC(C)N(Cc1cnn(CC2CCC2)c1)C1CC1 ZINC000891662686 582707830 /nfs/dbraw/zinc/70/78/30/582707830.db2.gz RBBSBRHHMRMQOI-UHFFFAOYSA-N 0 3 247.386 3.056 20 0 BGADHN CC(C)N(Cc1nccc2c1CCCC2)C1CC1 ZINC000891662962 582707531 /nfs/dbraw/zinc/70/75/31/582707531.db2.gz UMDMBCQNJKEOGI-UHFFFAOYSA-N 0 3 244.382 3.333 20 0 BGADHN CC(C)N(C[C@@H]1C[C@@]1(C)Br)C1CC1 ZINC000891663107 582707320 /nfs/dbraw/zinc/70/73/20/582707320.db2.gz VDSGLKOJYYGXOW-GXSJLCMTSA-N 0 3 246.192 3.033 20 0 BGADHN CC(C)N(C[C@H]1C[C@]1(C)Br)C1CC1 ZINC000891663108 582707907 /nfs/dbraw/zinc/70/79/07/582707907.db2.gz VDSGLKOJYYGXOW-KOLCDFICSA-N 0 3 246.192 3.033 20 0 BGADHN CC(C)N(C[C@H]1C[C@@]1(C)Br)C1CC1 ZINC000891663109 582707599 /nfs/dbraw/zinc/70/75/99/582707599.db2.gz VDSGLKOJYYGXOW-MWLCHTKSSA-N 0 3 246.192 3.033 20 0 BGADHN CC(C)N(C[C@@H]1C[C@]1(C)Br)C1CC1 ZINC000891663110 582707384 /nfs/dbraw/zinc/70/73/84/582707384.db2.gz VDSGLKOJYYGXOW-ONGXEEELSA-N 0 3 246.192 3.033 20 0 BGADHN Cc1cc(CN([C@H](C)C2CC2)C2CC2)cnc1F ZINC000891667293 582707792 /nfs/dbraw/zinc/70/77/92/582707792.db2.gz BDPTZPULHWZTRJ-LLVKDONJSA-N 0 3 248.345 3.292 20 0 BGADHN Cc1cc(CN([C@@H](C)C2CC2)C2CC2)cnc1F ZINC000891667294 582707709 /nfs/dbraw/zinc/70/77/09/582707709.db2.gz BDPTZPULHWZTRJ-NSHDSACASA-N 0 3 248.345 3.292 20 0 BGADHN CC(C)CN(Cc1cn2ccnc2s1)C1CC1 ZINC000891667620 582707449 /nfs/dbraw/zinc/70/74/49/582707449.db2.gz HFYNQPMAQDFLAN-UHFFFAOYSA-N 0 3 249.383 3.016 20 0 BGADHN Cc1cc(F)ncc1CN([C@H](C)C1CC1)C1CC1 ZINC000891667665 582707920 /nfs/dbraw/zinc/70/79/20/582707920.db2.gz IMJXZIQMZJWDIZ-LLVKDONJSA-N 0 3 248.345 3.292 20 0 BGADHN Cc1cc(F)ncc1CN([C@@H](C)C1CC1)C1CC1 ZINC000891667667 582707911 /nfs/dbraw/zinc/70/79/11/582707911.db2.gz IMJXZIQMZJWDIZ-NSHDSACASA-N 0 3 248.345 3.292 20 0 BGADHN Cc1cc(CN(CC(C)C)C2CC2)cnc1F ZINC000891667896 582707840 /nfs/dbraw/zinc/70/78/40/582707840.db2.gz JXNMBZMJQJEXLX-UHFFFAOYSA-N 0 3 236.334 3.150 20 0 BGADHN COc1ccc(CN([C@@H](C)C2CC2)C2CC2)o1 ZINC000891668287 582707542 /nfs/dbraw/zinc/70/75/42/582707542.db2.gz NARQKEKPEBCQGA-JTQLQIEISA-N 0 3 235.327 3.051 20 0 BGADHN COc1ccc(CN([C@H](C)C2CC2)C2CC2)o1 ZINC000891668288 582707609 /nfs/dbraw/zinc/70/76/09/582707609.db2.gz NARQKEKPEBCQGA-SNVBAGLBSA-N 0 3 235.327 3.051 20 0 BGADHN CC(C)CN(Cc1ccnn1C1CCC1)C1CC1 ZINC000891668335 582707362 /nfs/dbraw/zinc/70/73/62/582707362.db2.gz OPBMICDYLKIRQK-UHFFFAOYSA-N 0 3 247.386 3.229 20 0 BGADHN CC(C)CN(Cc1cnn(C2CCC2)c1)C1CC1 ZINC000891668648 582707807 /nfs/dbraw/zinc/70/78/07/582707807.db2.gz REASCSLDFAYPGG-UHFFFAOYSA-N 0 3 247.386 3.229 20 0 BGADHN Cc1cc(F)ncc1CN(CC(C)C)C1CC1 ZINC000891669149 582707333 /nfs/dbraw/zinc/70/73/33/582707333.db2.gz VXUXHRGJNLKSNT-UHFFFAOYSA-N 0 3 236.334 3.150 20 0 BGADHN CCOc1ccc(CN([C@H](C)C2CC2)C2CC2)o1 ZINC000891669171 582707369 /nfs/dbraw/zinc/70/73/69/582707369.db2.gz WJXYWDRPUCTEKH-LLVKDONJSA-N 0 3 249.354 3.441 20 0 BGADHN CCOc1ccc(CN([C@@H](C)C2CC2)C2CC2)o1 ZINC000891669462 582708973 /nfs/dbraw/zinc/70/89/73/582708973.db2.gz WJXYWDRPUCTEKH-NSHDSACASA-N 0 3 249.354 3.441 20 0 BGADHN C[C@@H](N(C)Cc1cn(C)nc1C1CC1)C(C)(C)C ZINC000891669980 582708690 /nfs/dbraw/zinc/70/86/90/582708690.db2.gz CVSLVDUHFMGSJU-LLVKDONJSA-N 0 3 249.402 3.164 20 0 BGADHN C[C@H](N(C)Cc1cn(C)nc1C1CC1)C(C)(C)C ZINC000891669985 582708723 /nfs/dbraw/zinc/70/87/23/582708723.db2.gz CVSLVDUHFMGSJU-NSHDSACASA-N 0 3 249.402 3.164 20 0 BGADHN CCn1cc(CN(C)[C@H](C)C(C)(C)C)c(C)n1 ZINC000891670674 582708866 /nfs/dbraw/zinc/70/88/66/582708866.db2.gz INIKPKJYBTZVFO-GFCCVEGCSA-N 0 3 237.391 3.078 20 0 BGADHN CCn1cc(CN(C)[C@@H](C)C(C)(C)C)c(C)n1 ZINC000891670679 582708322 /nfs/dbraw/zinc/70/83/22/582708322.db2.gz INIKPKJYBTZVFO-LBPRGKRZSA-N 0 3 237.391 3.078 20 0 BGADHN C[C@@H](N(C)Cc1cnn(C)c1C1CC1)C(C)(C)C ZINC000891671012 582708393 /nfs/dbraw/zinc/70/83/93/582708393.db2.gz LEIQNIJVRBKHMU-LLVKDONJSA-N 0 3 249.402 3.164 20 0 BGADHN C[C@H](N(C)Cc1cnn(C)c1C1CC1)C(C)(C)C ZINC000891671013 582708258 /nfs/dbraw/zinc/70/82/58/582708258.db2.gz LEIQNIJVRBKHMU-NSHDSACASA-N 0 3 249.402 3.164 20 0 BGADHN Cc1cc(F)ncc1CN(C)[C@H](C)C(C)(C)C ZINC000891671398 582708236 /nfs/dbraw/zinc/70/82/36/582708236.db2.gz OGHMUGKFBZLHCI-LLVKDONJSA-N 0 3 238.350 3.396 20 0 BGADHN Cc1cc(F)ncc1CN(C)[C@@H](C)C(C)(C)C ZINC000891671403 582708380 /nfs/dbraw/zinc/70/83/80/582708380.db2.gz OGHMUGKFBZLHCI-NSHDSACASA-N 0 3 238.350 3.396 20 0 BGADHN C[C@@H](N(C)Cc1ccnn1C1CCC1)C(C)(C)C ZINC000891671733 582708588 /nfs/dbraw/zinc/70/85/88/582708588.db2.gz RIEHSGNZDFBSIK-GFCCVEGCSA-N 0 3 249.402 3.475 20 0 BGADHN C[C@H](N(C)Cc1ccnn1C1CCC1)C(C)(C)C ZINC000891671735 582708502 /nfs/dbraw/zinc/70/85/02/582708502.db2.gz RIEHSGNZDFBSIK-LBPRGKRZSA-N 0 3 249.402 3.475 20 0 BGADHN Cc1cc(CN(C)[C@H](C)C(C)(C)C)cnc1F ZINC000891671793 582708161 /nfs/dbraw/zinc/70/81/61/582708161.db2.gz SKYXQXXENQPGGO-LLVKDONJSA-N 0 3 238.350 3.396 20 0 BGADHN Cc1cc(CN(C)[C@@H](C)C(C)(C)C)cnc1F ZINC000891671794 582709025 /nfs/dbraw/zinc/70/90/25/582709025.db2.gz SKYXQXXENQPGGO-NSHDSACASA-N 0 3 238.350 3.396 20 0 BGADHN C[C@@H](N(C)Cc1cnn(C2CCC2)c1)C(C)(C)C ZINC000891672093 582708345 /nfs/dbraw/zinc/70/83/45/582708345.db2.gz WCLIVKAYQZAODT-GFCCVEGCSA-N 0 3 249.402 3.475 20 0 BGADHN C[C@H](N(C)Cc1cnn(C2CCC2)c1)C(C)(C)C ZINC000891672095 582708566 /nfs/dbraw/zinc/70/85/66/582708566.db2.gz WCLIVKAYQZAODT-LBPRGKRZSA-N 0 3 249.402 3.475 20 0 BGADHN COc1ccc(CN(C)[C@@H](C)C(C)(C)C)o1 ZINC000891672374 582708574 /nfs/dbraw/zinc/70/85/74/582708574.db2.gz ZBIAYMXJUMJJAB-JTQLQIEISA-N 0 3 225.332 3.155 20 0 BGADHN COc1ccc(CN(C)[C@H](C)C(C)(C)C)o1 ZINC000891672375 582708753 /nfs/dbraw/zinc/70/87/53/582708753.db2.gz ZBIAYMXJUMJJAB-SNVBAGLBSA-N 0 3 225.332 3.155 20 0 BGADHN CCOc1ccc(CN(CC2CC2)C(C)C)o1 ZINC000891684393 582709829 /nfs/dbraw/zinc/70/98/29/582709829.db2.gz SSIAMZRRRIJNRT-UHFFFAOYSA-N 0 3 237.343 3.299 20 0 BGADHN CC(C)N(Cc1ccnn1C1CCC1)CC1CC1 ZINC000891684756 582709696 /nfs/dbraw/zinc/70/96/96/582709696.db2.gz WVCQUXAOQZSVOT-UHFFFAOYSA-N 0 3 247.386 3.229 20 0 BGADHN CC[C@@H](C)CN(C)Cc1ccnn1C1CCC1 ZINC000891693960 631448269 /nfs/dbraw/zinc/44/82/69/631448269.db2.gz JVGOHSCKMGJNRT-GFCCVEGCSA-N 0 3 235.375 3.086 20 0 BGADHN CC[C@H](C)CN(C)Cc1ccnn1C1CCC1 ZINC000891694078 631449785 /nfs/dbraw/zinc/44/97/85/631449785.db2.gz JVGOHSCKMGJNRT-LBPRGKRZSA-N 0 3 235.375 3.086 20 0 BGADHN CC(C)CN(Cc1nccn1C1CC1)C(C)C ZINC000891700688 582711320 /nfs/dbraw/zinc/71/13/20/582711320.db2.gz XXMZTYHJOAHKKK-UHFFFAOYSA-N 0 3 235.375 3.084 20 0 BGADHN CC[C@@H]1CCCN(Cc2ccnn2C2CCC2)C1 ZINC000891705334 582711233 /nfs/dbraw/zinc/71/12/33/582711233.db2.gz CVDFLZIJKILVHM-CYBMUJFWSA-N 0 3 247.386 3.230 20 0 BGADHN CC[C@H]1CCCN(Cc2ccnn2C2CCC2)C1 ZINC000891705337 582710991 /nfs/dbraw/zinc/71/09/91/582710991.db2.gz CVDFLZIJKILVHM-ZDUSSCGKSA-N 0 3 247.386 3.230 20 0 BGADHN CC[C@@H]1CCCN(Cc2cnc(F)c(C)c2)C1 ZINC000891705872 582711196 /nfs/dbraw/zinc/71/11/96/582711196.db2.gz KTQOOFUUFOVDBK-GFCCVEGCSA-N 0 3 236.334 3.151 20 0 BGADHN CC[C@H]1CCCN(Cc2cnc(F)c(C)c2)C1 ZINC000891705873 582711553 /nfs/dbraw/zinc/71/15/53/582711553.db2.gz KTQOOFUUFOVDBK-LBPRGKRZSA-N 0 3 236.334 3.151 20 0 BGADHN CC[C@@H]1CCCN(Cc2cnc(F)cc2C)C1 ZINC000891708019 582712172 /nfs/dbraw/zinc/71/21/72/582712172.db2.gz VGMJRBDCBBRHJE-GFCCVEGCSA-N 0 3 236.334 3.151 20 0 BGADHN CC[C@H]1CCCN(Cc2cnc(F)cc2C)C1 ZINC000891708021 582712118 /nfs/dbraw/zinc/71/21/18/582712118.db2.gz VGMJRBDCBBRHJE-LBPRGKRZSA-N 0 3 236.334 3.151 20 0 BGADHN CC[C@@H]1CCCN(Cc2cnn(C3CCC3)c2)C1 ZINC000891708320 582712098 /nfs/dbraw/zinc/71/20/98/582712098.db2.gz WVSOHVVERGXPFX-CYBMUJFWSA-N 0 3 247.386 3.230 20 0 BGADHN CC[C@H]1CCCN(Cc2cnn(C3CCC3)c2)C1 ZINC000891708322 582711964 /nfs/dbraw/zinc/71/19/64/582711964.db2.gz WVSOHVVERGXPFX-ZDUSSCGKSA-N 0 3 247.386 3.230 20 0 BGADHN CC[C@@H]1CCCN(Cc2cn3ccnc3s2)C1 ZINC000891708412 582712239 /nfs/dbraw/zinc/71/22/39/582712239.db2.gz YMOUMWYVZUCSSG-LLVKDONJSA-N 0 3 249.383 3.018 20 0 BGADHN CC[C@H]1CCCN(Cc2cn3ccnc3s2)C1 ZINC000891708413 582712167 /nfs/dbraw/zinc/71/21/67/582712167.db2.gz YMOUMWYVZUCSSG-NSHDSACASA-N 0 3 249.383 3.018 20 0 BGADHN CC1(C)CCCN(Cc2cn3ccnc3s2)C1 ZINC000891721619 582714259 /nfs/dbraw/zinc/71/42/59/582714259.db2.gz AZKPSUSEQNAPDG-UHFFFAOYSA-N 0 3 249.383 3.018 20 0 BGADHN CC(C)Cc1ccc(CN(C)CC2CC2)cn1 ZINC000891736385 582715350 /nfs/dbraw/zinc/71/53/50/582715350.db2.gz MHWXPCSCCSAZRT-UHFFFAOYSA-N 0 3 232.371 3.122 20 0 BGADHN CN(Cc1cnn(C2CCC2)c1)CC(C)(C)C ZINC000891748334 631470948 /nfs/dbraw/zinc/47/09/48/631470948.db2.gz OPEXNRGUQKKVSP-UHFFFAOYSA-N 0 3 235.375 3.086 20 0 BGADHN CCOc1ccc(CN(C)CC(C)(C)C)o1 ZINC000891748922 631472350 /nfs/dbraw/zinc/47/23/50/631472350.db2.gz SZNVJWDXACDDTF-UHFFFAOYSA-N 0 3 225.332 3.156 20 0 BGADHN CN(Cc1ccnn1C1CCC1)CC(C)(C)C ZINC000891748976 631470497 /nfs/dbraw/zinc/47/04/97/631470497.db2.gz VCCZBBFSTUDRKN-UHFFFAOYSA-N 0 3 235.375 3.086 20 0 BGADHN CCC1CCN(Cc2cnc(F)cc2C)CC1 ZINC000891749310 631472336 /nfs/dbraw/zinc/47/23/36/631472336.db2.gz WNDITUPYWYKIBT-UHFFFAOYSA-N 0 3 236.334 3.151 20 0 BGADHN CCC1CCN(Cc2cn3ccnc3s2)CC1 ZINC000891749333 631470468 /nfs/dbraw/zinc/47/04/68/631470468.db2.gz WTPUMEWDONHPBF-UHFFFAOYSA-N 0 3 249.383 3.018 20 0 BGADHN CN(Cc1cnn(CC2CCC2)c1)CC(C)(C)C ZINC000891749336 631472097 /nfs/dbraw/zinc/47/20/97/631472097.db2.gz WWIZKPLTHHNIKP-UHFFFAOYSA-N 0 3 249.402 3.161 20 0 BGADHN CC[C@@H]1CCCN1Cc1cc(C)cnc1Cl ZINC000891779494 582719735 /nfs/dbraw/zinc/71/97/35/582719735.db2.gz LLYSUNNDCTYSPE-GFCCVEGCSA-N 0 3 238.762 3.418 20 0 BGADHN CC[C@H]1CCCN1Cc1cc(C)cnc1Cl ZINC000891779495 582719529 /nfs/dbraw/zinc/71/95/29/582719529.db2.gz LLYSUNNDCTYSPE-LBPRGKRZSA-N 0 3 238.762 3.418 20 0 BGADHN CCOc1ccc(CN2CCC[C@H]2CC)o1 ZINC000891779986 582720157 /nfs/dbraw/zinc/72/01/57/582720157.db2.gz PIYWTYOXMXLRIS-LLVKDONJSA-N 0 3 223.316 3.053 20 0 BGADHN CCOc1ccc(CN2CCC[C@@H]2CC)o1 ZINC000891779987 582720639 /nfs/dbraw/zinc/72/06/39/582720639.db2.gz PIYWTYOXMXLRIS-NSHDSACASA-N 0 3 223.316 3.053 20 0 BGADHN CC[C@H]1CCCN1Cc1cnn(CC2CCC2)c1 ZINC000891780111 582719465 /nfs/dbraw/zinc/71/94/65/582719465.db2.gz TYGYUSYYSAKXBP-HNNXBMFYSA-N 0 3 247.386 3.058 20 0 BGADHN CC[C@@H]1CCCN1Cc1cnn(CC2CCC2)c1 ZINC000891780112 582718961 /nfs/dbraw/zinc/71/89/61/582718961.db2.gz TYGYUSYYSAKXBP-OAHLLOKOSA-N 0 3 247.386 3.058 20 0 BGADHN Cc1cc(CN2CCC[C@@H]3CCC[C@@H]32)cnc1F ZINC000891802902 582723989 /nfs/dbraw/zinc/72/39/89/582723989.db2.gz GCSRPGFAPUOZBV-KBPBESRZSA-N 0 3 248.345 3.294 20 0 BGADHN Cc1cc(CN2CCC[C@H]3CCC[C@@H]32)cnc1F ZINC000891802903 582723971 /nfs/dbraw/zinc/72/39/71/582723971.db2.gz GCSRPGFAPUOZBV-KGLIPLIRSA-N 0 3 248.345 3.294 20 0 BGADHN Cc1cc(CN2CCC[C@@H]3CCC[C@H]32)cnc1F ZINC000891802904 582724189 /nfs/dbraw/zinc/72/41/89/582724189.db2.gz GCSRPGFAPUOZBV-UONOGXRCSA-N 0 3 248.345 3.294 20 0 BGADHN Cc1cc(CN2CCC[C@H]3CCC[C@H]32)cnc1F ZINC000891802905 582724006 /nfs/dbraw/zinc/72/40/06/582724006.db2.gz GCSRPGFAPUOZBV-ZIAGYGMSSA-N 0 3 248.345 3.294 20 0 BGADHN Cc1cc(F)ncc1CN1CCC[C@@H]2CCC[C@H]21 ZINC000891804093 582723961 /nfs/dbraw/zinc/72/39/61/582723961.db2.gz NRQVZRNMTWXYOP-GXTWGEPZSA-N 0 3 248.345 3.294 20 0 BGADHN Cc1cc(F)ncc1CN1CCC[C@@H]2CCC[C@@H]21 ZINC000891804095 582724227 /nfs/dbraw/zinc/72/42/27/582724227.db2.gz NRQVZRNMTWXYOP-JSGCOSHPSA-N 0 3 248.345 3.294 20 0 BGADHN Cc1cc(F)ncc1CN1CCC[C@H]2CCC[C@@H]21 ZINC000891804096 582724244 /nfs/dbraw/zinc/72/42/44/582724244.db2.gz NRQVZRNMTWXYOP-OCCSQVGLSA-N 0 3 248.345 3.294 20 0 BGADHN Cc1cc(F)ncc1CN1CCC[C@H]2CCC[C@H]21 ZINC000891804098 582724017 /nfs/dbraw/zinc/72/40/17/582724017.db2.gz NRQVZRNMTWXYOP-TZMCWYRMSA-N 0 3 248.345 3.294 20 0 BGADHN COc1ccc(CN2CCC[C@@H]3CCC[C@@H]32)o1 ZINC000891804146 582724093 /nfs/dbraw/zinc/72/40/93/582724093.db2.gz OLCWLVQXXKJQSH-AAEUAGOBSA-N 0 3 235.327 3.053 20 0 BGADHN COc1ccc(CN2CCC[C@H]3CCC[C@H]32)o1 ZINC000891804147 582724022 /nfs/dbraw/zinc/72/40/22/582724022.db2.gz OLCWLVQXXKJQSH-DGCLKSJQSA-N 0 3 235.327 3.053 20 0 BGADHN COc1ccc(CN2CCC[C@@H]3CCC[C@H]32)o1 ZINC000891804148 582723993 /nfs/dbraw/zinc/72/39/93/582723993.db2.gz OLCWLVQXXKJQSH-WCQYABFASA-N 0 3 235.327 3.053 20 0 BGADHN COc1ccc(CN2CCC[C@H]3CCC[C@@H]32)o1 ZINC000891804149 582724084 /nfs/dbraw/zinc/72/40/84/582724084.db2.gz OLCWLVQXXKJQSH-YPMHNXCESA-N 0 3 235.327 3.053 20 0 BGADHN Cc1cc(F)ncc1CN1CCC[C@@H](C)CC1 ZINC000891822049 631504294 /nfs/dbraw/zinc/50/42/94/631504294.db2.gz PLRDWDCBRUVQAD-LLVKDONJSA-N 0 3 236.334 3.151 20 0 BGADHN Cc1cc(F)ncc1CN1CCC[C@H](C)CC1 ZINC000891822051 631505094 /nfs/dbraw/zinc/50/50/94/631505094.db2.gz PLRDWDCBRUVQAD-NSHDSACASA-N 0 3 236.334 3.151 20 0 BGADHN Cc1cc(CN2CCC[C@@H](C)CC2)cnc1F ZINC000891822274 582726341 /nfs/dbraw/zinc/72/63/41/582726341.db2.gz VWQDEEPXLADZFJ-LLVKDONJSA-N 0 3 236.334 3.151 20 0 BGADHN Cc1cc(CN2CCC[C@H](C)CC2)cnc1F ZINC000891822275 582726681 /nfs/dbraw/zinc/72/66/81/582726681.db2.gz VWQDEEPXLADZFJ-NSHDSACASA-N 0 3 236.334 3.151 20 0 BGADHN C[C@@H]1CCCN(Cc2ccnn2C2CCC2)CC1 ZINC000891822540 582726792 /nfs/dbraw/zinc/72/67/92/582726792.db2.gz ZMHIWYXQBZGYER-CYBMUJFWSA-N 0 3 247.386 3.230 20 0 BGADHN C[C@H]1CCCN(Cc2ccnn2C2CCC2)CC1 ZINC000891822542 582726662 /nfs/dbraw/zinc/72/66/62/582726662.db2.gz ZMHIWYXQBZGYER-ZDUSSCGKSA-N 0 3 247.386 3.230 20 0 BGADHN CCN(Cc1ccnn1C1CCC1)[C@H](C)C(C)C ZINC000891823356 582727658 /nfs/dbraw/zinc/72/76/58/582727658.db2.gz QTOHECDVXIWFAX-CYBMUJFWSA-N 0 3 249.402 3.475 20 0 BGADHN CCN(Cc1ccnn1C1CCC1)[C@@H](C)C(C)C ZINC000891823357 582727717 /nfs/dbraw/zinc/72/77/17/582727717.db2.gz QTOHECDVXIWFAX-ZDUSSCGKSA-N 0 3 249.402 3.475 20 0 BGADHN CCN(Cc1nccn1C1CC1)[C@H](C)C(C)C ZINC000891823608 582726798 /nfs/dbraw/zinc/72/67/98/582726798.db2.gz WACARIIXIFECMZ-GFCCVEGCSA-N 0 3 235.375 3.084 20 0 BGADHN CCN(Cc1nccn1C1CC1)[C@@H](C)C(C)C ZINC000891823609 582726553 /nfs/dbraw/zinc/72/65/53/582726553.db2.gz WACARIIXIFECMZ-LBPRGKRZSA-N 0 3 235.375 3.084 20 0 BGADHN CN(Cc1ccnn1C1CCC1)CC1CCCC1 ZINC000891845613 582729289 /nfs/dbraw/zinc/72/92/89/582729289.db2.gz AJJVKFCZIQYGQT-UHFFFAOYSA-N 0 3 247.386 3.230 20 0 BGADHN Cc1cc(F)ncc1CN(C)CC1CCCC1 ZINC000891846284 582729136 /nfs/dbraw/zinc/72/91/36/582729136.db2.gz KWEKYYBJFKACRI-UHFFFAOYSA-N 0 3 236.334 3.151 20 0 BGADHN CN(Cc1cn2ccnc2s1)CC1CCCC1 ZINC000891846302 582729170 /nfs/dbraw/zinc/72/91/70/582729170.db2.gz LXZRGZTUVWURPR-UHFFFAOYSA-N 0 3 249.383 3.018 20 0 BGADHN Cc1cc(CN(C)CC2CCCC2)cnc1F ZINC000891846889 582729235 /nfs/dbraw/zinc/72/92/35/582729235.db2.gz QCNLIDSKZLCHCG-UHFFFAOYSA-N 0 3 236.334 3.151 20 0 BGADHN CN(Cc1cnn(C2CCC2)c1)CC1CCCC1 ZINC000891847629 582729493 /nfs/dbraw/zinc/72/94/93/582729493.db2.gz YWQSERVPSCHTMP-UHFFFAOYSA-N 0 3 247.386 3.230 20 0 BGADHN C[C@@H]1CCCN(Cc2ccnn2C2CCC2)[C@@H]1C ZINC000891860500 582730379 /nfs/dbraw/zinc/73/03/79/582730379.db2.gz BQZSQGIWDCFYOF-CHWSQXEVSA-N 0 3 247.386 3.229 20 0 BGADHN C[C@@H]1CCCN(Cc2ccnn2C2CCC2)[C@H]1C ZINC000891860502 582730844 /nfs/dbraw/zinc/73/08/44/582730844.db2.gz BQZSQGIWDCFYOF-OLZOCXBDSA-N 0 3 247.386 3.229 20 0 BGADHN C[C@@H]1[C@@H](C)CCCN1Cc1ccnn1C1CCC1 ZINC000891860503 582730427 /nfs/dbraw/zinc/73/04/27/582730427.db2.gz BQZSQGIWDCFYOF-QWHCGFSZSA-N 0 3 247.386 3.229 20 0 BGADHN C[C@H]1CCCN(Cc2ccnn2C2CCC2)[C@H]1C ZINC000891860505 582730668 /nfs/dbraw/zinc/73/06/68/582730668.db2.gz BQZSQGIWDCFYOF-STQMWFEESA-N 0 3 247.386 3.229 20 0 BGADHN C[C@@H]1CCCN(Cc2cn3ccnc3s2)[C@@H]1C ZINC000891861619 582730804 /nfs/dbraw/zinc/73/08/04/582730804.db2.gz IXMMSLHIONGKHT-GHMZBOCLSA-N 0 3 249.383 3.016 20 0 BGADHN C[C@@H]1CCCN(Cc2cn3ccnc3s2)[C@H]1C ZINC000891861620 582730816 /nfs/dbraw/zinc/73/08/16/582730816.db2.gz IXMMSLHIONGKHT-MNOVXSKESA-N 0 3 249.383 3.016 20 0 BGADHN C[C@H]1CCCN(Cc2cn3ccnc3s2)[C@H]1C ZINC000891861622 582730445 /nfs/dbraw/zinc/73/04/45/582730445.db2.gz IXMMSLHIONGKHT-QWRGUYRKSA-N 0 3 249.383 3.016 20 0 BGADHN C[C@@H]1[C@@H](C)CCCN1Cc1cn2ccnc2s1 ZINC000891861624 582730390 /nfs/dbraw/zinc/73/03/90/582730390.db2.gz IXMMSLHIONGKHT-WDEREUQCSA-N 0 3 249.383 3.016 20 0 BGADHN Cc1cc(CN2CCC[C@H](C)[C@H]2C)cnc1F ZINC000891861668 582730385 /nfs/dbraw/zinc/73/03/85/582730385.db2.gz KFLQRJXXTNWNJL-CMPLNLGQSA-N 0 3 236.334 3.150 20 0 BGADHN Cc1cc(CN2CCC[C@H](C)[C@@H]2C)cnc1F ZINC000891861669 582730821 /nfs/dbraw/zinc/73/08/21/582730821.db2.gz KFLQRJXXTNWNJL-JQWIXIFHSA-N 0 3 236.334 3.150 20 0 BGADHN Cc1cc(CN2CCC[C@@H](C)[C@@H]2C)cnc1F ZINC000891861670 582730353 /nfs/dbraw/zinc/73/03/53/582730353.db2.gz KFLQRJXXTNWNJL-PWSUYJOCSA-N 0 3 236.334 3.150 20 0 BGADHN Cc1cc(CN2CCC[C@@H](C)[C@H]2C)cnc1F ZINC000891861671 582730879 /nfs/dbraw/zinc/73/08/79/582730879.db2.gz KFLQRJXXTNWNJL-ZYHUDNBSSA-N 0 3 236.334 3.150 20 0 BGADHN Cc1cc(F)ncc1CN1CCC[C@H](C)[C@H]1C ZINC000891861676 582730756 /nfs/dbraw/zinc/73/07/56/582730756.db2.gz KJYSVEINJUYBDF-CMPLNLGQSA-N 0 3 236.334 3.150 20 0 BGADHN Cc1cc(F)ncc1CN1CCC[C@H](C)[C@@H]1C ZINC000891861677 582730432 /nfs/dbraw/zinc/73/04/32/582730432.db2.gz KJYSVEINJUYBDF-JQWIXIFHSA-N 0 3 236.334 3.150 20 0 BGADHN Cc1cc(F)ncc1CN1CCC[C@@H](C)[C@@H]1C ZINC000891861680 582730502 /nfs/dbraw/zinc/73/05/02/582730502.db2.gz KJYSVEINJUYBDF-PWSUYJOCSA-N 0 3 236.334 3.150 20 0 BGADHN Cc1cc(F)ncc1CN1CCC[C@@H](C)[C@H]1C ZINC000891861681 582730709 /nfs/dbraw/zinc/73/07/09/582730709.db2.gz KJYSVEINJUYBDF-ZYHUDNBSSA-N 0 3 236.334 3.150 20 0 BGADHN C[C@@H]1CCCN(Cc2cnn(C3CCC3)c2)[C@@H]1C ZINC000891863073 582731290 /nfs/dbraw/zinc/73/12/90/582731290.db2.gz UJJSQQJHEZYZRJ-CHWSQXEVSA-N 0 3 247.386 3.229 20 0 BGADHN C[C@@H]1CCCN(Cc2cnn(C3CCC3)c2)[C@H]1C ZINC000891863074 582731182 /nfs/dbraw/zinc/73/11/82/582731182.db2.gz UJJSQQJHEZYZRJ-OLZOCXBDSA-N 0 3 247.386 3.229 20 0 BGADHN C[C@@H]1[C@@H](C)CCCN1Cc1cnn(C2CCC2)c1 ZINC000891863075 582731196 /nfs/dbraw/zinc/73/11/96/582731196.db2.gz UJJSQQJHEZYZRJ-QWHCGFSZSA-N 0 3 247.386 3.229 20 0 BGADHN C[C@H]1CCCN(Cc2cnn(C3CCC3)c2)[C@H]1C ZINC000891863076 582731159 /nfs/dbraw/zinc/73/11/59/582731159.db2.gz UJJSQQJHEZYZRJ-STQMWFEESA-N 0 3 247.386 3.229 20 0 BGADHN Cc1cc(CN2CCC[C@H]2C2CCC2)cnc1F ZINC000891867452 582731890 /nfs/dbraw/zinc/73/18/90/582731890.db2.gz DYKDKFXYYJDCAA-AWEZNQCLSA-N 0 3 248.345 3.294 20 0 BGADHN Cc1cc(CN2CCC[C@@H]2C2CCC2)cnc1F ZINC000891867455 582732277 /nfs/dbraw/zinc/73/22/77/582732277.db2.gz DYKDKFXYYJDCAA-CQSZACIVSA-N 0 3 248.345 3.294 20 0 BGADHN CC1(C)CCCN1Cc1cnn(CC2CCC2)c1 ZINC000891867802 582731812 /nfs/dbraw/zinc/73/18/12/582731812.db2.gz BBFXDWRDIPEXQM-UHFFFAOYSA-N 0 3 247.386 3.058 20 0 BGADHN Cc1cc(F)ncc1CN1CCC[C@H]1C1CCC1 ZINC000891868742 582732273 /nfs/dbraw/zinc/73/22/73/582732273.db2.gz MMCIJXNYSNXTAO-AWEZNQCLSA-N 0 3 248.345 3.294 20 0 BGADHN Cc1cc(F)ncc1CN1CCC[C@@H]1C1CCC1 ZINC000891868743 582732193 /nfs/dbraw/zinc/73/21/93/582732193.db2.gz MMCIJXNYSNXTAO-CQSZACIVSA-N 0 3 248.345 3.294 20 0 BGADHN Cc1cnc(Cl)c(CN2CCCC2(C)C)c1 ZINC000891869881 582732647 /nfs/dbraw/zinc/73/26/47/582732647.db2.gz OHTFJZKRIMHXRI-UHFFFAOYSA-N 0 3 238.762 3.418 20 0 BGADHN CCOc1ccc(CN2CCCC2(C)C)o1 ZINC000891871089 582732949 /nfs/dbraw/zinc/73/29/49/582732949.db2.gz XMAURXGVBXNEKK-UHFFFAOYSA-N 0 3 223.316 3.053 20 0 BGADHN Cc1cc(CN2CCC(C)(C)CC2)cnc1F ZINC000891910565 582737359 /nfs/dbraw/zinc/73/73/59/582737359.db2.gz GSKFQMGIWQWOEV-UHFFFAOYSA-N 0 3 236.334 3.151 20 0 BGADHN CC1(C)CCN(Cc2cn3ccnc3s2)CC1 ZINC000891910753 582737312 /nfs/dbraw/zinc/73/73/12/582737312.db2.gz JLPOBPOKABKSPT-UHFFFAOYSA-N 0 3 249.383 3.018 20 0 BGADHN CC1(C)CCN(Cc2ccnn2C2CCC2)CC1 ZINC000891910763 582737105 /nfs/dbraw/zinc/73/71/05/582737105.db2.gz JSDICUUZACQTDW-UHFFFAOYSA-N 0 3 247.386 3.230 20 0 BGADHN CC1(C)CCN(Cc2cnn(C3CCC3)c2)CC1 ZINC000891911041 582736587 /nfs/dbraw/zinc/73/65/87/582736587.db2.gz MHKWETHUBAGCPS-UHFFFAOYSA-N 0 3 247.386 3.230 20 0 BGADHN Cc1cc(F)ncc1CN1CCC(C)(C)CC1 ZINC000891911476 582736331 /nfs/dbraw/zinc/73/63/31/582736331.db2.gz UOJUJYVMKKMOKF-UHFFFAOYSA-N 0 3 236.334 3.151 20 0 BGADHN CC(C)(C)[C@H]1CCCN1Cc1nccn1C1CC1 ZINC000891913675 582736989 /nfs/dbraw/zinc/73/69/89/582736989.db2.gz KHXOAGLXHIMFRF-CYBMUJFWSA-N 0 3 247.386 3.229 20 0 BGADHN CC(C)(C)[C@@H]1CCCN1Cc1nccn1C1CC1 ZINC000891913676 582737341 /nfs/dbraw/zinc/73/73/41/582737341.db2.gz KHXOAGLXHIMFRF-ZDUSSCGKSA-N 0 3 247.386 3.229 20 0 BGADHN CCOc1ccc(CN2CCC[C@@H]2C2CC2)o1 ZINC000891932342 582739978 /nfs/dbraw/zinc/73/99/78/582739978.db2.gz ASYAQJRPNONZSN-CYBMUJFWSA-N 0 3 235.327 3.053 20 0 BGADHN CCOc1ccc(CN2CCC[C@H]2C2CC2)o1 ZINC000891932344 582739944 /nfs/dbraw/zinc/73/99/44/582739944.db2.gz ASYAQJRPNONZSN-ZDUSSCGKSA-N 0 3 235.327 3.053 20 0 BGADHN CCC(C)(C)N(C)Cc1cnn(C2CCC2)c1 ZINC000892003426 582758950 /nfs/dbraw/zinc/75/89/50/582758950.db2.gz APRRCASZTITZIS-UHFFFAOYSA-N 0 3 235.375 3.229 20 0 BGADHN CCC(C)(C)N(C)Cc1cnn(CC2CCC2)c1 ZINC000892003673 582758918 /nfs/dbraw/zinc/75/89/18/582758918.db2.gz CPHXTDFRWZPGLQ-UHFFFAOYSA-N 0 3 249.402 3.304 20 0 BGADHN CCC(C)(C)N(C)Cc1ccnn1C1CCC1 ZINC000892003700 582758691 /nfs/dbraw/zinc/75/86/91/582758691.db2.gz DAOOLKZEALGVLQ-UHFFFAOYSA-N 0 3 235.375 3.229 20 0 BGADHN CCOc1ccc(CN(C)C(C)(C)CC)o1 ZINC000892004088 582759387 /nfs/dbraw/zinc/75/93/87/582759387.db2.gz GXHULQRNPHIUIT-UHFFFAOYSA-N 0 3 225.332 3.299 20 0 BGADHN C[C@@H]1CCCN1Cc1cn(C)nc1C1CCCC1 ZINC000892013444 582761177 /nfs/dbraw/zinc/76/11/77/582761177.db2.gz JVWBICCLTPGTLJ-GFCCVEGCSA-N 0 3 247.386 3.062 20 0 BGADHN C[C@H]1CCCN1Cc1cn(C)nc1C1CCCC1 ZINC000892013446 582760699 /nfs/dbraw/zinc/76/06/99/582760699.db2.gz JVWBICCLTPGTLJ-LBPRGKRZSA-N 0 3 247.386 3.062 20 0 BGADHN Cc1nn(C(C)C)c(C)c1CN1CCC[C@H]1C ZINC000892020608 582764686 /nfs/dbraw/zinc/76/46/86/582764686.db2.gz ZJPXRRRWTZVUHD-LLVKDONJSA-N 0 3 235.375 3.065 20 0 BGADHN Cc1nn(C(C)C)c(C)c1CN1CCC[C@@H]1C ZINC000892020609 582764351 /nfs/dbraw/zinc/76/43/51/582764351.db2.gz ZJPXRRRWTZVUHD-NSHDSACASA-N 0 3 235.375 3.065 20 0 BGADHN Cc1nn(C(C)C)c(C)c1CN1CCC(C)(C)C1 ZINC000892022000 582763817 /nfs/dbraw/zinc/76/38/17/582763817.db2.gz QWIYGCNNENRANO-UHFFFAOYSA-N 0 3 249.402 3.313 20 0 BGADHN Cc1cc(CN2CCC3(CCCC3)C2)cnc1F ZINC000892025387 582765736 /nfs/dbraw/zinc/76/57/36/582765736.db2.gz RDQJREJVLBJSDI-UHFFFAOYSA-N 0 3 248.345 3.295 20 0 BGADHN Cc1cc(F)ncc1CN1CCC2(CCCC2)C1 ZINC000892025407 582765580 /nfs/dbraw/zinc/76/55/80/582765580.db2.gz RPKWKCMSZCCLMM-UHFFFAOYSA-N 0 3 248.345 3.295 20 0 BGADHN C[C@@H]1CCCCCN1Cc1cn2ccnc2s1 ZINC000892036265 582769224 /nfs/dbraw/zinc/76/92/24/582769224.db2.gz KCCFCEWGOBKBIM-LLVKDONJSA-N 0 3 249.383 3.160 20 0 BGADHN C[C@H]1CCCCCN1Cc1cn2ccnc2s1 ZINC000892036266 582769435 /nfs/dbraw/zinc/76/94/35/582769435.db2.gz KCCFCEWGOBKBIM-NSHDSACASA-N 0 3 249.383 3.160 20 0 BGADHN COc1ccc(CN2CCCCC[C@H]2C)o1 ZINC000892036275 582769656 /nfs/dbraw/zinc/76/96/56/582769656.db2.gz KSDBRLZEPAECCG-LLVKDONJSA-N 0 3 223.316 3.053 20 0 BGADHN COc1ccc(CN2CCCCC[C@@H]2C)o1 ZINC000892036276 582768931 /nfs/dbraw/zinc/76/89/31/582768931.db2.gz KSDBRLZEPAECCG-NSHDSACASA-N 0 3 223.316 3.053 20 0 BGADHN Cc1cc(F)ncc1CN1CCCCC[C@H]1C ZINC000892036462 582769429 /nfs/dbraw/zinc/76/94/29/582769429.db2.gz LLBXETZCVQXJIP-GFCCVEGCSA-N 0 3 236.334 3.294 20 0 BGADHN Cc1cc(F)ncc1CN1CCCCC[C@@H]1C ZINC000892036464 582769540 /nfs/dbraw/zinc/76/95/40/582769540.db2.gz LLBXETZCVQXJIP-LBPRGKRZSA-N 0 3 236.334 3.294 20 0 BGADHN C[C@@H]1CCCCCN1Cc1ccnn1C1CCC1 ZINC000892036498 582769486 /nfs/dbraw/zinc/76/94/86/582769486.db2.gz LZQSPCMBOSKJNY-CYBMUJFWSA-N 0 3 247.386 3.373 20 0 BGADHN C[C@H]1CCCCCN1Cc1ccnn1C1CCC1 ZINC000892036500 582768906 /nfs/dbraw/zinc/76/89/06/582768906.db2.gz LZQSPCMBOSKJNY-ZDUSSCGKSA-N 0 3 247.386 3.373 20 0 BGADHN C[C@@H]1CCCCCN1Cc1cnn(C2CCC2)c1 ZINC000892036556 582768918 /nfs/dbraw/zinc/76/89/18/582768918.db2.gz NPCYPRFUMOLXSD-CYBMUJFWSA-N 0 3 247.386 3.373 20 0 BGADHN C[C@H]1CCCCCN1Cc1cnn(C2CCC2)c1 ZINC000892036557 582769188 /nfs/dbraw/zinc/76/91/88/582769188.db2.gz NPCYPRFUMOLXSD-ZDUSSCGKSA-N 0 3 247.386 3.373 20 0 BGADHN CCN(Cc1c(C)nn(C(C)C)c1C)CC1CC1 ZINC000892036904 582769614 /nfs/dbraw/zinc/76/96/14/582769614.db2.gz ZRKAIYMMBXZZAL-UHFFFAOYSA-N 0 3 249.402 3.313 20 0 BGADHN Cc1cc(CN2CCCCC[C@H]2C)cnc1F ZINC000892037114 582769371 /nfs/dbraw/zinc/76/93/71/582769371.db2.gz XKAQRECLLDJSIF-GFCCVEGCSA-N 0 3 236.334 3.294 20 0 BGADHN Cc1cc(CN2CCCCC[C@@H]2C)cnc1F ZINC000892037115 582769506 /nfs/dbraw/zinc/76/95/06/582769506.db2.gz XKAQRECLLDJSIF-LBPRGKRZSA-N 0 3 236.334 3.294 20 0 BGADHN CC(C)[C@@H]1CCCCN1Cc1nccn1C1CC1 ZINC000892052588 582775678 /nfs/dbraw/zinc/77/56/78/582775678.db2.gz PYENFCKUYIMXLF-AWEZNQCLSA-N 0 3 247.386 3.229 20 0 BGADHN CC(C)[C@H]1CCCCN1Cc1nccn1C1CC1 ZINC000892052589 582776377 /nfs/dbraw/zinc/77/63/77/582776377.db2.gz PYENFCKUYIMXLF-CQSZACIVSA-N 0 3 247.386 3.229 20 0 BGADHN CCOc1ccc(CN2CCC3(CCC3)C2)o1 ZINC000892056373 582777854 /nfs/dbraw/zinc/77/78/54/582777854.db2.gz QXJGNEUIHONAOF-UHFFFAOYSA-N 0 3 235.327 3.054 20 0 BGADHN Cc1nn(C(C)C)c(C)c1CN1CCC1(C)C ZINC000892057794 582776789 /nfs/dbraw/zinc/77/67/89/582776789.db2.gz MECPNFBDJWDVPW-UHFFFAOYSA-N 0 3 235.375 3.065 20 0 BGADHN CC(C)Cc1ccc(CN(C)C2CCC2)cn1 ZINC000892058725 582779018 /nfs/dbraw/zinc/77/90/18/582779018.db2.gz FFIFJCMDVKODEW-UHFFFAOYSA-N 0 3 232.371 3.264 20 0 BGADHN Cc1nn(C(C)C)c(C)c1CN(C)C1CCC1 ZINC000892058754 582778732 /nfs/dbraw/zinc/77/87/32/582778732.db2.gz GEGZYTNAHDEIEL-UHFFFAOYSA-N 0 3 235.375 3.065 20 0 BGADHN CN(Cc1cn(C)nc1C1CCCC1)C1CCC1 ZINC000892058804 582779209 /nfs/dbraw/zinc/77/92/09/582779209.db2.gz IFUPBPIRVUMSJR-UHFFFAOYSA-N 0 3 247.386 3.062 20 0 BGADHN Cc1cc(CN(C)C2CCC2)c2c(n1)CCCC2 ZINC000892059106 582779118 /nfs/dbraw/zinc/77/91/18/582779118.db2.gz VQEVNSZQLREOSJ-UHFFFAOYSA-N 0 3 244.382 3.253 20 0 BGADHN Cc1cc(F)ncc1CN1CC[C@H](C)[C@H](C)C1 ZINC000892064187 582782374 /nfs/dbraw/zinc/78/23/74/582782374.db2.gz ARRQBMTTXXOBFG-CMPLNLGQSA-N 0 3 236.334 3.007 20 0 BGADHN Cc1cc(F)ncc1CN1CC[C@H](C)[C@@H](C)C1 ZINC000892064189 582781984 /nfs/dbraw/zinc/78/19/84/582781984.db2.gz ARRQBMTTXXOBFG-JQWIXIFHSA-N 0 3 236.334 3.007 20 0 BGADHN Cc1cc(F)ncc1CN1CC[C@@H](C)[C@@H](C)C1 ZINC000892064191 582782392 /nfs/dbraw/zinc/78/23/92/582782392.db2.gz ARRQBMTTXXOBFG-PWSUYJOCSA-N 0 3 236.334 3.007 20 0 BGADHN Cc1cc(F)ncc1CN1CC[C@@H](C)[C@H](C)C1 ZINC000892064192 582782183 /nfs/dbraw/zinc/78/21/83/582782183.db2.gz ARRQBMTTXXOBFG-ZYHUDNBSSA-N 0 3 236.334 3.007 20 0 BGADHN Cc1cc(CN2CC[C@H](C)[C@H](C)C2)cnc1F ZINC000892065258 582782325 /nfs/dbraw/zinc/78/23/25/582782325.db2.gz KSFIKVBHVYWKIF-CMPLNLGQSA-N 0 3 236.334 3.007 20 0 BGADHN Cc1cc(CN2CC[C@H](C)[C@@H](C)C2)cnc1F ZINC000892065259 582782429 /nfs/dbraw/zinc/78/24/29/582782429.db2.gz KSFIKVBHVYWKIF-JQWIXIFHSA-N 0 3 236.334 3.007 20 0 BGADHN Cc1cc(CN2CC[C@@H](C)[C@@H](C)C2)cnc1F ZINC000892065260 582781974 /nfs/dbraw/zinc/78/19/74/582781974.db2.gz KSFIKVBHVYWKIF-PWSUYJOCSA-N 0 3 236.334 3.007 20 0 BGADHN Cc1cc(CN2CC[C@@H](C)[C@H](C)C2)cnc1F ZINC000892065261 582782261 /nfs/dbraw/zinc/78/22/61/582782261.db2.gz KSFIKVBHVYWKIF-ZYHUDNBSSA-N 0 3 236.334 3.007 20 0 BGADHN C[C@@H]1CC[C@@H](C)N(Cc2cn3ccnc3s2)C1 ZINC000892066140 582783255 /nfs/dbraw/zinc/78/32/55/582783255.db2.gz ABOPDSFNWYDTOO-GHMZBOCLSA-N 0 3 249.383 3.016 20 0 BGADHN C[C@@H]1CC[C@H](C)N(Cc2cn3ccnc3s2)C1 ZINC000892066141 582783350 /nfs/dbraw/zinc/78/33/50/582783350.db2.gz ABOPDSFNWYDTOO-MNOVXSKESA-N 0 3 249.383 3.016 20 0 BGADHN C[C@H]1CC[C@H](C)N(Cc2cn3ccnc3s2)C1 ZINC000892066142 582782900 /nfs/dbraw/zinc/78/29/00/582782900.db2.gz ABOPDSFNWYDTOO-QWRGUYRKSA-N 0 3 249.383 3.016 20 0 BGADHN C[C@@H]1CC[C@H](C)CN1Cc1cn2ccnc2s1 ZINC000892066143 582783148 /nfs/dbraw/zinc/78/31/48/582783148.db2.gz ABOPDSFNWYDTOO-WDEREUQCSA-N 0 3 249.383 3.016 20 0 BGADHN C[C@@H]1CCN(Cc2ccnn2C2CCC2)C[C@H]1C ZINC000892066244 582783480 /nfs/dbraw/zinc/78/34/80/582783480.db2.gz SGOHVPUHQQCVJT-CHWSQXEVSA-N 0 3 247.386 3.086 20 0 BGADHN C[C@@H]1CCN(Cc2ccnn2C2CCC2)C[C@@H]1C ZINC000892066245 582783561 /nfs/dbraw/zinc/78/35/61/582783561.db2.gz SGOHVPUHQQCVJT-OLZOCXBDSA-N 0 3 247.386 3.086 20 0 BGADHN C[C@H]1CCN(Cc2ccnn2C2CCC2)C[C@H]1C ZINC000892066246 582782997 /nfs/dbraw/zinc/78/29/97/582782997.db2.gz SGOHVPUHQQCVJT-QWHCGFSZSA-N 0 3 247.386 3.086 20 0 BGADHN C[C@H]1CN(Cc2ccnn2C2CCC2)CC[C@@H]1C ZINC000892066247 582782979 /nfs/dbraw/zinc/78/29/79/582782979.db2.gz SGOHVPUHQQCVJT-STQMWFEESA-N 0 3 247.386 3.086 20 0 BGADHN C[C@@H]1CCN(Cc2cnn(C3CCC3)c2)C[C@H]1C ZINC000892066294 582783669 /nfs/dbraw/zinc/78/36/69/582783669.db2.gz TZLJJJMOCAMRLH-CHWSQXEVSA-N 0 3 247.386 3.086 20 0 BGADHN C[C@@H]1CCN(Cc2cnn(C3CCC3)c2)C[C@@H]1C ZINC000892066295 582783719 /nfs/dbraw/zinc/78/37/19/582783719.db2.gz TZLJJJMOCAMRLH-OLZOCXBDSA-N 0 3 247.386 3.086 20 0 BGADHN C[C@H]1CCN(Cc2cnn(C3CCC3)c2)C[C@H]1C ZINC000892066296 582783736 /nfs/dbraw/zinc/78/37/36/582783736.db2.gz TZLJJJMOCAMRLH-QWHCGFSZSA-N 0 3 247.386 3.086 20 0 BGADHN C[C@H]1CN(Cc2cnn(C3CCC3)c2)CC[C@@H]1C ZINC000892066297 582783012 /nfs/dbraw/zinc/78/30/12/582783012.db2.gz TZLJJJMOCAMRLH-STQMWFEESA-N 0 3 247.386 3.086 20 0 BGADHN CC[C@@H]1C[C@@H](C)CN1Cc1ccnn1C1CCC1 ZINC000892067837 582784728 /nfs/dbraw/zinc/78/47/28/582784728.db2.gz AFBDYLWXWYVZGI-CHWSQXEVSA-N 0 3 247.386 3.229 20 0 BGADHN CC[C@H]1C[C@@H](C)CN1Cc1ccnn1C1CCC1 ZINC000892067838 582784412 /nfs/dbraw/zinc/78/44/12/582784412.db2.gz AFBDYLWXWYVZGI-OLZOCXBDSA-N 0 3 247.386 3.229 20 0 BGADHN CC[C@@H]1C[C@H](C)CN1Cc1ccnn1C1CCC1 ZINC000892067839 582784429 /nfs/dbraw/zinc/78/44/29/582784429.db2.gz AFBDYLWXWYVZGI-QWHCGFSZSA-N 0 3 247.386 3.229 20 0 BGADHN CC[C@H]1C[C@H](C)CN1Cc1ccnn1C1CCC1 ZINC000892067840 582784161 /nfs/dbraw/zinc/78/41/61/582784161.db2.gz AFBDYLWXWYVZGI-STQMWFEESA-N 0 3 247.386 3.229 20 0 BGADHN CC[C@@H]1C[C@H](C)CN1Cc1cnn(C2CCC2)c1 ZINC000892067888 582784454 /nfs/dbraw/zinc/78/44/54/582784454.db2.gz BSLAGBGJJFNQNW-GXTWGEPZSA-N 0 3 247.386 3.229 20 0 BGADHN CC[C@H]1C[C@H](C)CN1Cc1cnn(C2CCC2)c1 ZINC000892067889 582784663 /nfs/dbraw/zinc/78/46/63/582784663.db2.gz BSLAGBGJJFNQNW-JSGCOSHPSA-N 0 3 247.386 3.229 20 0 BGADHN CC[C@H]1C[C@@H](C)CN1Cc1cnn(C2CCC2)c1 ZINC000892067890 582784174 /nfs/dbraw/zinc/78/41/74/582784174.db2.gz BSLAGBGJJFNQNW-OCCSQVGLSA-N 0 3 247.386 3.229 20 0 BGADHN CC[C@@H]1C[C@@H](C)CN1Cc1cnn(C2CCC2)c1 ZINC000892067891 582784206 /nfs/dbraw/zinc/78/42/06/582784206.db2.gz BSLAGBGJJFNQNW-TZMCWYRMSA-N 0 3 247.386 3.229 20 0 BGADHN CC[C@H]1C[C@H](C)CN1Cc1cnc(F)c(C)c1 ZINC000892068077 582784033 /nfs/dbraw/zinc/78/40/33/582784033.db2.gz DNZDJYMIWAFIOR-GWCFXTLKSA-N 0 3 236.334 3.150 20 0 BGADHN CC[C@@H]1C[C@H](C)CN1Cc1cnc(F)c(C)c1 ZINC000892068078 582784389 /nfs/dbraw/zinc/78/43/89/582784389.db2.gz DNZDJYMIWAFIOR-GXFFZTMASA-N 0 3 236.334 3.150 20 0 BGADHN CC[C@H]1C[C@@H](C)CN1Cc1cnc(F)c(C)c1 ZINC000892068079 582784448 /nfs/dbraw/zinc/78/44/48/582784448.db2.gz DNZDJYMIWAFIOR-MFKMUULPSA-N 0 3 236.334 3.150 20 0 BGADHN CC[C@@H]1C[C@@H](C)CN1Cc1cnc(F)c(C)c1 ZINC000892068080 582785196 /nfs/dbraw/zinc/78/51/96/582785196.db2.gz DNZDJYMIWAFIOR-ZWNOBZJWSA-N 0 3 236.334 3.150 20 0 BGADHN Cc1cnc(Cl)c(CN2C[C@@H](C)[C@H](C)C2)c1 ZINC000892068217 582785399 /nfs/dbraw/zinc/78/53/99/582785399.db2.gz HNTKHUZNFYIBPP-GHMZBOCLSA-N 0 3 238.762 3.131 20 0 BGADHN Cc1cnc(Cl)c(CN2C[C@H](C)[C@H](C)C2)c1 ZINC000892068218 582785322 /nfs/dbraw/zinc/78/53/22/582785322.db2.gz HNTKHUZNFYIBPP-PHIMTYICSA-N 0 3 238.762 3.131 20 0 BGADHN Cc1cnc(Cl)c(CN2C[C@H](C)[C@@H](C)C2)c1 ZINC000892068219 582785406 /nfs/dbraw/zinc/78/54/06/582785406.db2.gz HNTKHUZNFYIBPP-QWRGUYRKSA-N 0 3 238.762 3.131 20 0 BGADHN C[C@@H]1CCC[C@@H](C)N(Cc2nccn2C2CC2)C1 ZINC000892068404 582783223 /nfs/dbraw/zinc/78/32/23/582783223.db2.gz NBLFXXMEUZAPHW-CHWSQXEVSA-N 0 3 247.386 3.229 20 0 BGADHN C[C@@H]1CCC[C@H](C)N(Cc2nccn2C2CC2)C1 ZINC000892068405 582782856 /nfs/dbraw/zinc/78/28/56/582782856.db2.gz NBLFXXMEUZAPHW-OLZOCXBDSA-N 0 3 247.386 3.229 20 0 BGADHN C[C@@H]1CCC[C@H](C)CN1Cc1nccn1C1CC1 ZINC000892068406 582783153 /nfs/dbraw/zinc/78/31/53/582783153.db2.gz NBLFXXMEUZAPHW-QWHCGFSZSA-N 0 3 247.386 3.229 20 0 BGADHN C[C@H]1CCC[C@H](C)N(Cc2nccn2C2CC2)C1 ZINC000892068407 582783072 /nfs/dbraw/zinc/78/30/72/582783072.db2.gz NBLFXXMEUZAPHW-STQMWFEESA-N 0 3 247.386 3.229 20 0 BGADHN Cc1cc(CN2C[C@@H](C)CC[C@H]2C)cnc1F ZINC000892068681 582784681 /nfs/dbraw/zinc/78/46/81/582784681.db2.gz BKAQAMJLKPRWOW-CMPLNLGQSA-N 0 3 236.334 3.150 20 0 BGADHN Cc1cc(CN2C[C@@H](C)CC[C@@H]2C)cnc1F ZINC000892068682 582784653 /nfs/dbraw/zinc/78/46/53/582784653.db2.gz BKAQAMJLKPRWOW-JQWIXIFHSA-N 0 3 236.334 3.150 20 0 BGADHN Cc1cc(CN2C[C@H](C)CC[C@@H]2C)cnc1F ZINC000892068684 582784722 /nfs/dbraw/zinc/78/47/22/582784722.db2.gz BKAQAMJLKPRWOW-PWSUYJOCSA-N 0 3 236.334 3.150 20 0 BGADHN Cc1cc(CN2C[C@H](C)CC[C@H]2C)cnc1F ZINC000892068685 582784812 /nfs/dbraw/zinc/78/48/12/582784812.db2.gz BKAQAMJLKPRWOW-ZYHUDNBSSA-N 0 3 236.334 3.150 20 0 BGADHN CC[C@H]1C[C@H](C)CN1Cc1cnc(F)cc1C ZINC000892069090 582784437 /nfs/dbraw/zinc/78/44/37/582784437.db2.gz XKLPIZXPAORUHD-GWCFXTLKSA-N 0 3 236.334 3.150 20 0 BGADHN CC[C@@H]1C[C@H](C)CN1Cc1cnc(F)cc1C ZINC000892069091 582784089 /nfs/dbraw/zinc/78/40/89/582784089.db2.gz XKLPIZXPAORUHD-GXFFZTMASA-N 0 3 236.334 3.150 20 0 BGADHN CC[C@H]1C[C@@H](C)CN1Cc1cnc(F)cc1C ZINC000892069092 582784498 /nfs/dbraw/zinc/78/44/98/582784498.db2.gz XKLPIZXPAORUHD-MFKMUULPSA-N 0 3 236.334 3.150 20 0 BGADHN CC[C@@H]1C[C@@H](C)CN1Cc1cnc(F)cc1C ZINC000892069093 582783970 /nfs/dbraw/zinc/78/39/70/582783970.db2.gz XKLPIZXPAORUHD-ZWNOBZJWSA-N 0 3 236.334 3.150 20 0 BGADHN Cc1cc(F)ncc1CN1C[C@@H](C)CC[C@H]1C ZINC000892069955 582786264 /nfs/dbraw/zinc/78/62/64/582786264.db2.gz REBPRYWCYVGORC-CMPLNLGQSA-N 0 3 236.334 3.150 20 0 BGADHN Cc1cc(F)ncc1CN1C[C@@H](C)CC[C@@H]1C ZINC000892069956 582785706 /nfs/dbraw/zinc/78/57/06/582785706.db2.gz REBPRYWCYVGORC-JQWIXIFHSA-N 0 3 236.334 3.150 20 0 BGADHN Cc1cc(F)ncc1CN1C[C@H](C)CC[C@@H]1C ZINC000892069957 582786233 /nfs/dbraw/zinc/78/62/33/582786233.db2.gz REBPRYWCYVGORC-PWSUYJOCSA-N 0 3 236.334 3.150 20 0 BGADHN Cc1cc(F)ncc1CN1C[C@H](C)CC[C@H]1C ZINC000892069958 582786172 /nfs/dbraw/zinc/78/61/72/582786172.db2.gz REBPRYWCYVGORC-ZYHUDNBSSA-N 0 3 236.334 3.150 20 0 BGADHN C[C@@H]1CC[C@@H](C)N(Cc2cnn(C3CCC3)c2)C1 ZINC000892069993 582785572 /nfs/dbraw/zinc/78/55/72/582785572.db2.gz SAQUVLNZQYJDNH-CHWSQXEVSA-N 0 3 247.386 3.229 20 0 BGADHN C[C@@H]1CC[C@H](C)N(Cc2cnn(C3CCC3)c2)C1 ZINC000892069994 582786139 /nfs/dbraw/zinc/78/61/39/582786139.db2.gz SAQUVLNZQYJDNH-OLZOCXBDSA-N 0 3 247.386 3.229 20 0 BGADHN C[C@@H]1CC[C@H](C)CN1Cc1cnn(C2CCC2)c1 ZINC000892069995 582786179 /nfs/dbraw/zinc/78/61/79/582786179.db2.gz SAQUVLNZQYJDNH-QWHCGFSZSA-N 0 3 247.386 3.229 20 0 BGADHN C[C@H]1CC[C@H](C)N(Cc2cnn(C3CCC3)c2)C1 ZINC000892069996 582785910 /nfs/dbraw/zinc/78/59/10/582785910.db2.gz SAQUVLNZQYJDNH-STQMWFEESA-N 0 3 247.386 3.229 20 0 BGADHN CC1=CCN(Cc2nccc3c2CCCC3)CC1 ZINC000892071967 631720404 /nfs/dbraw/zinc/72/04/04/631720404.db2.gz YRDKJPBTOASJPH-UHFFFAOYSA-N 0 3 242.366 3.112 20 0 BGADHN CC[C@@H]1CCCCCN1Cc1nccn1C1CC1 ZINC000892074752 582785518 /nfs/dbraw/zinc/78/55/18/582785518.db2.gz JELOPNIEFMOZQQ-CYBMUJFWSA-N 0 3 247.386 3.373 20 0 BGADHN CC[C@H]1CCCCCN1Cc1nccn1C1CC1 ZINC000892074753 582785966 /nfs/dbraw/zinc/78/59/66/582785966.db2.gz JELOPNIEFMOZQQ-ZDUSSCGKSA-N 0 3 247.386 3.373 20 0 BGADHN CCOc1ccc(CN(CC)C2CCC2)o1 ZINC000892085686 582787754 /nfs/dbraw/zinc/78/77/54/582787754.db2.gz ILKFHVNBMIPYDU-UHFFFAOYSA-N 0 3 223.316 3.053 20 0 BGADHN CCN(Cc1nccc2c1CCCC2)C1CCC1 ZINC000892085715 582788204 /nfs/dbraw/zinc/78/82/04/582788204.db2.gz IYESVEQEZLMBAW-UHFFFAOYSA-N 0 3 244.382 3.335 20 0 BGADHN CCN(Cc1cnn(CC2CCC2)c1)C1CCC1 ZINC000892085886 582787817 /nfs/dbraw/zinc/78/78/17/582787817.db2.gz JRKWYRBMTDANBB-UHFFFAOYSA-N 0 3 247.386 3.058 20 0 BGADHN CCN(Cc1c(C)nn(C(C)C)c1C)C1CCC1 ZINC000892086282 582788148 /nfs/dbraw/zinc/78/81/48/582788148.db2.gz PPIKLQFLHLJFQE-UHFFFAOYSA-N 0 3 249.402 3.455 20 0 BGADHN CC(C)N(Cc1ccnn1C1CCC1)C1CCC1 ZINC000892100396 631730191 /nfs/dbraw/zinc/73/01/91/631730191.db2.gz FNGXCQMDHOUZID-UHFFFAOYSA-N 0 3 247.386 3.371 20 0 BGADHN Cc1cnc(Cl)c(CN2C[C@H](C)C[C@H]2C)c1 ZINC000892102295 631730479 /nfs/dbraw/zinc/73/04/79/631730479.db2.gz DREIOAYAILCTOT-GHMZBOCLSA-N 0 3 238.762 3.274 20 0 BGADHN Cc1cnc(Cl)c(CN2C[C@H](C)C[C@@H]2C)c1 ZINC000892102299 631731045 /nfs/dbraw/zinc/73/10/45/631731045.db2.gz DREIOAYAILCTOT-MNOVXSKESA-N 0 3 238.762 3.274 20 0 BGADHN Cc1cnc(Cl)c(CN2C[C@@H](C)C[C@@H]2C)c1 ZINC000892102302 631730757 /nfs/dbraw/zinc/73/07/57/631730757.db2.gz DREIOAYAILCTOT-QWRGUYRKSA-N 0 3 238.762 3.274 20 0 BGADHN Cc1cnc(Cl)c(CN2C[C@@H](C)C[C@H]2C)c1 ZINC000892102304 631731217 /nfs/dbraw/zinc/73/12/17/631731217.db2.gz DREIOAYAILCTOT-WDEREUQCSA-N 0 3 238.762 3.274 20 0 BGADHN CCOc1ccc(CN(C(C)C)C2CCC2)o1 ZINC000892103194 582791891 /nfs/dbraw/zinc/79/18/91/582791891.db2.gz VNDMKWWDNCMMTM-UHFFFAOYSA-N 0 3 237.343 3.441 20 0 BGADHN CC1(C)CCCN(Cc2nccn2C2CC2)CC1 ZINC000892115564 582794909 /nfs/dbraw/zinc/79/49/09/582794909.db2.gz ZSBUJILPFVAZSE-UHFFFAOYSA-N 0 3 247.386 3.230 20 0 BGADHN CC[C@@]1(C)CCN(Cc2cnc(F)cc2C)C1 ZINC000892143932 582799939 /nfs/dbraw/zinc/79/99/39/582799939.db2.gz AYRKAHJLZJMSOS-AWEZNQCLSA-N 0 3 236.334 3.151 20 0 BGADHN CC[C@]1(C)CCN(Cc2cnc(F)cc2C)C1 ZINC000892143933 582800034 /nfs/dbraw/zinc/80/00/34/582800034.db2.gz AYRKAHJLZJMSOS-CQSZACIVSA-N 0 3 236.334 3.151 20 0 BGADHN CC[C@@]1(C)CCN(Cc2ccnn2C2CCC2)C1 ZINC000892144989 582800713 /nfs/dbraw/zinc/80/07/13/582800713.db2.gz GYFRXTGDHRZUIA-HNNXBMFYSA-N 0 3 247.386 3.230 20 0 BGADHN CC[C@]1(C)CCN(Cc2ccnn2C2CCC2)C1 ZINC000892144991 582800307 /nfs/dbraw/zinc/80/03/07/582800307.db2.gz GYFRXTGDHRZUIA-OAHLLOKOSA-N 0 3 247.386 3.230 20 0 BGADHN CC[C@@]1(C)CCN(Cc2cnn(C3CCC3)c2)C1 ZINC000892147035 582801240 /nfs/dbraw/zinc/80/12/40/582801240.db2.gz RMRZOYQXODLOTL-HNNXBMFYSA-N 0 3 247.386 3.230 20 0 BGADHN CC[C@]1(C)CCN(Cc2cnn(C3CCC3)c2)C1 ZINC000892147037 582801551 /nfs/dbraw/zinc/80/15/51/582801551.db2.gz RMRZOYQXODLOTL-OAHLLOKOSA-N 0 3 247.386 3.230 20 0 BGADHN CC[C@@]1(C)CCN(Cc2cnc(F)c(C)c2)C1 ZINC000892147084 582801016 /nfs/dbraw/zinc/80/10/16/582801016.db2.gz SGZVMWAMWGGMPH-AWEZNQCLSA-N 0 3 236.334 3.151 20 0 BGADHN CC[C@]1(C)CCN(Cc2cnc(F)c(C)c2)C1 ZINC000892147086 582801390 /nfs/dbraw/zinc/80/13/90/582801390.db2.gz SGZVMWAMWGGMPH-CQSZACIVSA-N 0 3 236.334 3.151 20 0 BGADHN CC[C@]1(C)CCN(Cc2cn3ccnc3s2)C1 ZINC000892147697 582801306 /nfs/dbraw/zinc/80/13/06/582801306.db2.gz YVULTDPWXASDQF-CYBMUJFWSA-N 0 3 249.383 3.018 20 0 BGADHN CC[C@@]1(C)CCN(Cc2cn3ccnc3s2)C1 ZINC000892147698 582801594 /nfs/dbraw/zinc/80/15/94/582801594.db2.gz YVULTDPWXASDQF-ZDUSSCGKSA-N 0 3 249.383 3.018 20 0 BGADHN Cc1cnc(Cl)c(CN2CC[C@@H](C)[C@H]2C)c1 ZINC000892215355 582808135 /nfs/dbraw/zinc/80/81/35/582808135.db2.gz VDOSBLRBTTZSQU-GHMZBOCLSA-N 0 3 238.762 3.274 20 0 BGADHN Cc1cnc(Cl)c(CN2CC[C@@H](C)[C@@H]2C)c1 ZINC000892215356 582808262 /nfs/dbraw/zinc/80/82/62/582808262.db2.gz VDOSBLRBTTZSQU-MNOVXSKESA-N 0 3 238.762 3.274 20 0 BGADHN Cc1cnc(Cl)c(CN2CC[C@H](C)[C@@H]2C)c1 ZINC000892215357 582808335 /nfs/dbraw/zinc/80/83/35/582808335.db2.gz VDOSBLRBTTZSQU-QWRGUYRKSA-N 0 3 238.762 3.274 20 0 BGADHN Cc1cnc(Cl)c(CN2CC[C@H](C)[C@H]2C)c1 ZINC000892215358 582808386 /nfs/dbraw/zinc/80/83/86/582808386.db2.gz VDOSBLRBTTZSQU-WDEREUQCSA-N 0 3 238.762 3.274 20 0 BGADHN CCOc1ccc(CN(C)[C@H](C)C2(C)CC2)o1 ZINC000892216669 582808360 /nfs/dbraw/zinc/80/83/60/582808360.db2.gz AHASQSVXHZVNBK-LLVKDONJSA-N 0 3 237.343 3.299 20 0 BGADHN CCOc1ccc(CN(C)[C@@H](C)C2(C)CC2)o1 ZINC000892216670 582808450 /nfs/dbraw/zinc/80/84/50/582808450.db2.gz AHASQSVXHZVNBK-NSHDSACASA-N 0 3 237.343 3.299 20 0 BGADHN Cc1cc(F)ncc1CN(C)[C@H](C)C1(C)CC1 ZINC000892216748 582808445 /nfs/dbraw/zinc/80/84/45/582808445.db2.gz BUJUXTNSSSRNAY-LLVKDONJSA-N 0 3 236.334 3.150 20 0 BGADHN Cc1cc(F)ncc1CN(C)[C@@H](C)C1(C)CC1 ZINC000892216750 582808349 /nfs/dbraw/zinc/80/83/49/582808349.db2.gz BUJUXTNSSSRNAY-NSHDSACASA-N 0 3 236.334 3.150 20 0 BGADHN C[C@@H](N(C)Cc1ccnn1C1CCC1)C1(C)CC1 ZINC000892219422 631792299 /nfs/dbraw/zinc/79/22/99/631792299.db2.gz PTDRACWPJWBAID-GFCCVEGCSA-N 0 3 247.386 3.229 20 0 BGADHN C[C@H](N(C)Cc1ccnn1C1CCC1)C1(C)CC1 ZINC000892219423 631792808 /nfs/dbraw/zinc/79/28/08/631792808.db2.gz PTDRACWPJWBAID-LBPRGKRZSA-N 0 3 247.386 3.229 20 0 BGADHN C[C@@H](N(C)Cc1cnn(C2CCC2)c1)C1(C)CC1 ZINC000892220162 582809040 /nfs/dbraw/zinc/80/90/40/582809040.db2.gz TYZIRQPXYXOUHB-GFCCVEGCSA-N 0 3 247.386 3.229 20 0 BGADHN C[C@H](N(C)Cc1cnn(C2CCC2)c1)C1(C)CC1 ZINC000892220164 582808972 /nfs/dbraw/zinc/80/89/72/582808972.db2.gz TYZIRQPXYXOUHB-LBPRGKRZSA-N 0 3 247.386 3.229 20 0 BGADHN Cc1cc(CN(C)[C@H](C)C2(C)CC2)cnc1F ZINC000892220320 582808732 /nfs/dbraw/zinc/80/87/32/582808732.db2.gz VYBSIUHBIOVDFA-LLVKDONJSA-N 0 3 236.334 3.150 20 0 BGADHN Cc1cc(CN(C)[C@@H](C)C2(C)CC2)cnc1F ZINC000892220321 582808751 /nfs/dbraw/zinc/80/87/51/582808751.db2.gz VYBSIUHBIOVDFA-NSHDSACASA-N 0 3 236.334 3.150 20 0 BGADHN CC(C)[C@H]1CCN(Cc2cnn(C3CCC3)c2)C1 ZINC000892221885 582809082 /nfs/dbraw/zinc/80/90/82/582809082.db2.gz INPNQMLTOWBPMK-AWEZNQCLSA-N 0 3 247.386 3.086 20 0 BGADHN CC(C)[C@@H]1CCN(Cc2cnn(C3CCC3)c2)C1 ZINC000892221886 582809100 /nfs/dbraw/zinc/80/91/00/582809100.db2.gz INPNQMLTOWBPMK-CQSZACIVSA-N 0 3 247.386 3.086 20 0 BGADHN Cc1cc(F)ncc1CN1CC[C@@H](C(C)C)C1 ZINC000892222053 582808995 /nfs/dbraw/zinc/80/89/95/582808995.db2.gz MXFIHWCQDUMJGV-GFCCVEGCSA-N 0 3 236.334 3.007 20 0 BGADHN Cc1cc(F)ncc1CN1CC[C@H](C(C)C)C1 ZINC000892222054 582809035 /nfs/dbraw/zinc/80/90/35/582809035.db2.gz MXFIHWCQDUMJGV-LBPRGKRZSA-N 0 3 236.334 3.007 20 0 BGADHN Cc1cc(CN2CC[C@@H](C(C)C)C2)cnc1F ZINC000892222151 582808719 /nfs/dbraw/zinc/80/87/19/582808719.db2.gz OXMDSNNLIGEOBT-CYBMUJFWSA-N 0 3 236.334 3.007 20 0 BGADHN Cc1cc(CN2CC[C@H](C(C)C)C2)cnc1F ZINC000892222152 582808865 /nfs/dbraw/zinc/80/88/65/582808865.db2.gz OXMDSNNLIGEOBT-ZDUSSCGKSA-N 0 3 236.334 3.007 20 0 BGADHN CC(C)[C@@H]1CCN(Cc2ccnn2C2CCC2)C1 ZINC000892222215 582809107 /nfs/dbraw/zinc/80/91/07/582809107.db2.gz QFSQHRIHAWVDSW-CYBMUJFWSA-N 0 3 247.386 3.086 20 0 BGADHN CC(C)[C@H]1CCN(Cc2ccnn2C2CCC2)C1 ZINC000892222216 582809072 /nfs/dbraw/zinc/80/90/72/582809072.db2.gz QFSQHRIHAWVDSW-ZDUSSCGKSA-N 0 3 247.386 3.086 20 0 BGADHN Cc1cnc(Cl)c(CN2[C@H](C)CC[C@H]2C)c1 ZINC000892222824 582810047 /nfs/dbraw/zinc/81/00/47/582810047.db2.gz BCAYJOLYIJIMKP-GHMZBOCLSA-N 0 3 238.762 3.416 20 0 BGADHN Cc1cnc(Cl)c(CN2[C@H](C)CC[C@@H]2C)c1 ZINC000892222825 582810147 /nfs/dbraw/zinc/81/01/47/582810147.db2.gz BCAYJOLYIJIMKP-PHIMTYICSA-N 0 3 238.762 3.416 20 0 BGADHN Cc1cnc(Cl)c(CN2[C@@H](C)CC[C@@H]2C)c1 ZINC000892222826 582809979 /nfs/dbraw/zinc/80/99/79/582809979.db2.gz BCAYJOLYIJIMKP-QWRGUYRKSA-N 0 3 238.762 3.416 20 0 BGADHN C[C@@H]1CC[C@H](C)N1Cc1cnn(CC2CCC2)c1 ZINC000892222869 582810362 /nfs/dbraw/zinc/81/03/62/582810362.db2.gz CJIAIICJWGMYMK-BETUJISGSA-N 0 3 247.386 3.056 20 0 BGADHN C[C@@H]1CC[C@@H](C)N1Cc1cnn(CC2CCC2)c1 ZINC000892222870 582810206 /nfs/dbraw/zinc/81/02/06/582810206.db2.gz CJIAIICJWGMYMK-CHWSQXEVSA-N 0 3 247.386 3.056 20 0 BGADHN C[C@H]1CC[C@H](C)N1Cc1cnn(CC2CCC2)c1 ZINC000892222871 582809875 /nfs/dbraw/zinc/80/98/75/582809875.db2.gz CJIAIICJWGMYMK-STQMWFEESA-N 0 3 247.386 3.056 20 0 BGADHN CC[C@H]1CCN(Cc2c(C)nn(C(C)C)c2C)C1 ZINC000892223148 582810064 /nfs/dbraw/zinc/81/00/64/582810064.db2.gz FVYCNYNXEOYQBN-AWEZNQCLSA-N 0 3 249.402 3.313 20 0 BGADHN CC[C@@H]1CCN(Cc2c(C)nn(C(C)C)c2C)C1 ZINC000892223149 582810086 /nfs/dbraw/zinc/81/00/86/582810086.db2.gz FVYCNYNXEOYQBN-CQSZACIVSA-N 0 3 249.402 3.313 20 0 BGADHN CC[C@@H]1CCN(Cc2cc(C)cnc2Cl)C1 ZINC000892223178 582809899 /nfs/dbraw/zinc/80/98/99/582809899.db2.gz GFTALRJZZKSRGK-LLVKDONJSA-N 0 3 238.762 3.275 20 0 BGADHN CC[C@H]1CCN(Cc2cc(C)cnc2Cl)C1 ZINC000892223179 582809481 /nfs/dbraw/zinc/80/94/81/582809481.db2.gz GFTALRJZZKSRGK-NSHDSACASA-N 0 3 238.762 3.275 20 0 BGADHN CCOc1ccc(CN2[C@H](C)CC[C@H]2C)o1 ZINC000892224015 582809786 /nfs/dbraw/zinc/80/97/86/582809786.db2.gz PCJPSRRIKYXRNN-GHMZBOCLSA-N 0 3 223.316 3.051 20 0 BGADHN CCOc1ccc(CN2[C@H](C)CC[C@@H]2C)o1 ZINC000892224017 582809949 /nfs/dbraw/zinc/80/99/49/582809949.db2.gz PCJPSRRIKYXRNN-PHIMTYICSA-N 0 3 223.316 3.051 20 0 BGADHN CCOc1ccc(CN2[C@@H](C)CC[C@@H]2C)o1 ZINC000892224018 582809656 /nfs/dbraw/zinc/80/96/56/582809656.db2.gz PCJPSRRIKYXRNN-QWRGUYRKSA-N 0 3 223.316 3.051 20 0 BGADHN Cc1nn(C(C)C)c(C)c1CN(C)CCC1CC1 ZINC000892237222 582810822 /nfs/dbraw/zinc/81/08/22/582810822.db2.gz WVZMFXLQUYHOHM-UHFFFAOYSA-N 0 3 249.402 3.313 20 0 BGADHN Cc1nn(C(C)C)c(C)c1CN1CCCCC1 ZINC000892245698 631810761 /nfs/dbraw/zinc/81/07/61/631810761.db2.gz DJXKLQIWHBRNSD-UHFFFAOYSA-N 0 3 235.375 3.067 20 0 BGADHN Cn1cc(CN2CCCCC2)c(C2CCCC2)n1 ZINC000892245763 631811504 /nfs/dbraw/zinc/81/15/04/631811504.db2.gz GVIIXLNOJSUPNY-UHFFFAOYSA-N 0 3 247.386 3.064 20 0 BGADHN CCc1cc(CNCCCCC(C)C)on1 ZINC000892397430 582875684 /nfs/dbraw/zinc/87/56/84/582875684.db2.gz NDUCALBXAPCRPD-UHFFFAOYSA-N 0 3 224.348 3.153 20 0 BGADHN CCOc1ccc(CNC2CCCCC2)o1 ZINC000892402283 582876590 /nfs/dbraw/zinc/87/65/90/582876590.db2.gz PCMAHWDLOVMOEH-UHFFFAOYSA-N 0 3 223.316 3.101 20 0 BGADHN Cc1nn(C(C)C)c(C)c1CN1CC[C@H]1C(C)C ZINC000892402629 582877084 /nfs/dbraw/zinc/87/70/84/582877084.db2.gz DSTHFGQEQZIBBY-HNNXBMFYSA-N 0 3 249.402 3.311 20 0 BGADHN Cc1nn(C(C)C)c(C)c1CN1CC[C@@H]1C(C)C ZINC000892402633 582877032 /nfs/dbraw/zinc/87/70/32/582877032.db2.gz DSTHFGQEQZIBBY-OAHLLOKOSA-N 0 3 249.402 3.311 20 0 BGADHN CCCSC[C@H](C)NCc1ccsc1 ZINC000892402960 582876905 /nfs/dbraw/zinc/87/69/05/582876905.db2.gz VZHQFUNHNPEFAZ-JTQLQIEISA-N 0 3 229.414 3.369 20 0 BGADHN CCCSC[C@@H](C)NCc1ccsc1 ZINC000892402961 582877099 /nfs/dbraw/zinc/87/70/99/582877099.db2.gz VZHQFUNHNPEFAZ-SNVBAGLBSA-N 0 3 229.414 3.369 20 0 BGADHN Cc1ccccc1CNCc1cnc(F)c(C)c1 ZINC000892411792 582881892 /nfs/dbraw/zinc/88/18/92/582881892.db2.gz JJXBIZLKEWTZGI-UHFFFAOYSA-N 0 3 244.313 3.127 20 0 BGADHN Cc1ccccc1CNCc1cnc(F)cc1C ZINC000892412057 582881837 /nfs/dbraw/zinc/88/18/37/582881837.db2.gz KPPJPHYMTRXEQL-UHFFFAOYSA-N 0 3 244.313 3.127 20 0 BGADHN CCC[C@H](N[C@H](C)COC(C)=O)c1ccccc1 ZINC000892416374 582882157 /nfs/dbraw/zinc/88/21/57/582882157.db2.gz WUNKRXDDPJKRMF-DOMZBBRYSA-N 0 3 249.354 3.069 20 0 BGADHN CCC[C@@H](N[C@H](C)COC(C)=O)c1ccccc1 ZINC000892416375 582882120 /nfs/dbraw/zinc/88/21/20/582882120.db2.gz WUNKRXDDPJKRMF-IUODEOHRSA-N 0 3 249.354 3.069 20 0 BGADHN CCC[C@@H](N[C@@H](C)COC(C)=O)c1ccccc1 ZINC000892416376 582882202 /nfs/dbraw/zinc/88/22/02/582882202.db2.gz WUNKRXDDPJKRMF-SWLSCSKDSA-N 0 3 249.354 3.069 20 0 BGADHN CCC[C@H](N[C@@H](C)COC(C)=O)c1ccccc1 ZINC000892416377 582882108 /nfs/dbraw/zinc/88/21/08/582882108.db2.gz WUNKRXDDPJKRMF-WFASDCNBSA-N 0 3 249.354 3.069 20 0 BGADHN COc1ccc(CNCCCc2ccccc2)o1 ZINC000892422852 582883359 /nfs/dbraw/zinc/88/33/59/582883359.db2.gz KDFYVLVAFFORAN-UHFFFAOYSA-N 0 3 245.322 3.011 20 0 BGADHN CCCSC[C@@H](C)N[C@@H](C)c1ccccn1 ZINC000892430991 582885882 /nfs/dbraw/zinc/88/58/82/582885882.db2.gz MGCGMGRPTCUUDX-NEPJUHHUSA-N 0 3 238.400 3.264 20 0 BGADHN CCCSC[C@H](C)N[C@H](C)c1ccccn1 ZINC000892430992 582885710 /nfs/dbraw/zinc/88/57/10/582885710.db2.gz MGCGMGRPTCUUDX-NWDGAFQWSA-N 0 3 238.400 3.264 20 0 BGADHN CCCSC[C@H](C)N[C@@H](C)c1ccccn1 ZINC000892430993 582885974 /nfs/dbraw/zinc/88/59/74/582885974.db2.gz MGCGMGRPTCUUDX-RYUDHWBXSA-N 0 3 238.400 3.264 20 0 BGADHN CCCSC[C@@H](C)N[C@H](C)c1ccccn1 ZINC000892430994 582885580 /nfs/dbraw/zinc/88/55/80/582885580.db2.gz MGCGMGRPTCUUDX-VXGBXAGGSA-N 0 3 238.400 3.264 20 0 BGADHN Cc1cc(CN[C@H](C)c2ccccc2)cnc1F ZINC000892431177 582885637 /nfs/dbraw/zinc/88/56/37/582885637.db2.gz AAAZQUUAQKXVTG-GFCCVEGCSA-N 0 3 244.313 3.380 20 0 BGADHN Cc1cc(CN[C@@H](C)c2ccccc2)cnc1F ZINC000892431178 582885528 /nfs/dbraw/zinc/88/55/28/582885528.db2.gz AAAZQUUAQKXVTG-LBPRGKRZSA-N 0 3 244.313 3.380 20 0 BGADHN CCOc1ccc(CNCCc2ccccc2)o1 ZINC000892432005 582886386 /nfs/dbraw/zinc/88/63/86/582886386.db2.gz IAHANRKCIWPBLT-UHFFFAOYSA-N 0 3 245.322 3.011 20 0 BGADHN CCn1cc(CN[C@H](C)c2ccccc2)c(C)n1 ZINC000892432022 582886224 /nfs/dbraw/zinc/88/62/24/582886224.db2.gz DMGWUCGPMBZTGC-GFCCVEGCSA-N 0 3 243.354 3.062 20 0 BGADHN CCn1cc(CN[C@@H](C)c2ccccc2)c(C)n1 ZINC000892432023 582886205 /nfs/dbraw/zinc/88/62/05/582886205.db2.gz DMGWUCGPMBZTGC-LBPRGKRZSA-N 0 3 243.354 3.062 20 0 BGADHN Cc1cc(F)ncc1CN[C@H](C)c1ccccc1 ZINC000892432484 582886134 /nfs/dbraw/zinc/88/61/34/582886134.db2.gz LWWWHZGSCUEHOR-GFCCVEGCSA-N 0 3 244.313 3.380 20 0 BGADHN Cc1cc(F)ncc1CN[C@@H](C)c1ccccc1 ZINC000892432485 582886541 /nfs/dbraw/zinc/88/65/41/582886541.db2.gz LWWWHZGSCUEHOR-LBPRGKRZSA-N 0 3 244.313 3.380 20 0 BGADHN Cc1ccc(CNCc2cnc(F)c(C)c2)cc1 ZINC000892437748 632709908 /nfs/dbraw/zinc/70/99/08/632709908.db2.gz BXIQVBWAHXHLBI-UHFFFAOYSA-N 0 3 244.313 3.127 20 0 BGADHN Cc1ccc(CNCc2cnc(F)cc2C)cc1 ZINC000892437751 632709956 /nfs/dbraw/zinc/70/99/56/632709956.db2.gz BYDHHFUOKYPLCI-UHFFFAOYSA-N 0 3 244.313 3.127 20 0 BGADHN COC[C@H](C)NCc1cc(C(C)(C)C)oc1C ZINC000892446617 582888791 /nfs/dbraw/zinc/88/87/91/582888791.db2.gz KVBZIQIWRXCZDB-JTQLQIEISA-N 0 3 239.359 3.010 20 0 BGADHN COC[C@@H](C)NCc1cc(C(C)(C)C)oc1C ZINC000892446618 582888962 /nfs/dbraw/zinc/88/89/62/582888962.db2.gz KVBZIQIWRXCZDB-SNVBAGLBSA-N 0 3 239.359 3.010 20 0 BGADHN COc1ccc(CNC2(C)CCCCC2)o1 ZINC000892460055 582892363 /nfs/dbraw/zinc/89/23/63/582892363.db2.gz NDAZDGDZVTXJEW-UHFFFAOYSA-N 0 3 223.316 3.101 20 0 BGADHN COc1ccc(CNCCC2=CCCCC2)o1 ZINC000892478435 582895602 /nfs/dbraw/zinc/89/56/02/582895602.db2.gz INLYHOTTWXCYPF-UHFFFAOYSA-N 0 3 235.327 3.268 20 0 BGADHN COc1ccc(CNC2CCCCCC2)o1 ZINC000892478456 582895585 /nfs/dbraw/zinc/89/55/85/582895585.db2.gz IYEVAGINOROSBU-UHFFFAOYSA-N 0 3 223.316 3.101 20 0 BGADHN CCCCC[C@@H](C)NCc1ccc(OC)cn1 ZINC000892478460 582895376 /nfs/dbraw/zinc/89/53/76/582895376.db2.gz JDTDHGBUYGHQFH-GFCCVEGCSA-N 0 3 236.359 3.149 20 0 BGADHN CCCCC[C@H](C)NCc1ccc(OC)cn1 ZINC000892478461 582895199 /nfs/dbraw/zinc/89/51/99/582895199.db2.gz JDTDHGBUYGHQFH-LBPRGKRZSA-N 0 3 236.359 3.149 20 0 BGADHN COc1ccc(CNCCC2=CCCCC2)nc1 ZINC000892479011 582895592 /nfs/dbraw/zinc/89/55/92/582895592.db2.gz VDPLYQFPQCJPJU-UHFFFAOYSA-N 0 3 246.354 3.070 20 0 BGADHN CCCSC[C@@H](C)N[C@@H](C)c1cccnc1 ZINC000892481840 582896220 /nfs/dbraw/zinc/89/62/20/582896220.db2.gz PHAYHPIKHWWVML-NEPJUHHUSA-N 0 3 238.400 3.264 20 0 BGADHN CCCSC[C@H](C)N[C@H](C)c1cccnc1 ZINC000892481844 582896517 /nfs/dbraw/zinc/89/65/17/582896517.db2.gz PHAYHPIKHWWVML-NWDGAFQWSA-N 0 3 238.400 3.264 20 0 BGADHN CCCSC[C@H](C)N[C@@H](C)c1cccnc1 ZINC000892481845 582896697 /nfs/dbraw/zinc/89/66/97/582896697.db2.gz PHAYHPIKHWWVML-RYUDHWBXSA-N 0 3 238.400 3.264 20 0 BGADHN CCCSC[C@@H](C)N[C@H](C)c1cccnc1 ZINC000892481846 582896592 /nfs/dbraw/zinc/89/65/92/582896592.db2.gz PHAYHPIKHWWVML-VXGBXAGGSA-N 0 3 238.400 3.264 20 0 BGADHN Fc1cc(CNC2CC2)ccc1C(F)F ZINC000892482836 582896439 /nfs/dbraw/zinc/89/64/39/582896439.db2.gz SVKHDSIWSDKOFU-UHFFFAOYSA-N 0 3 215.218 3.015 20 0 BGADHN Cc1cccc(CNCc2cnc(F)c(C)c2)c1 ZINC000892501003 582899039 /nfs/dbraw/zinc/89/90/39/582899039.db2.gz CPGVEWZNXKNBNB-UHFFFAOYSA-N 0 3 244.313 3.127 20 0 BGADHN Cc1cccc(CNCc2cnc(F)cc2C)c1 ZINC000892502510 582899540 /nfs/dbraw/zinc/89/95/40/582899540.db2.gz RWBCLDLAKKLLGR-UHFFFAOYSA-N 0 3 244.313 3.127 20 0 BGADHN CCc1onc(C)c1CNCCC1CCCC1 ZINC000892507244 582900922 /nfs/dbraw/zinc/90/09/22/582900922.db2.gz WBOBGUIUYSASLN-UHFFFAOYSA-N 0 3 236.359 3.215 20 0 BGADHN CCc1onc(C)c1CNCCC(C)(C)C ZINC000892522199 582906084 /nfs/dbraw/zinc/90/60/84/582906084.db2.gz SWKIAJWIBSYQNC-UHFFFAOYSA-N 0 3 224.348 3.071 20 0 BGADHN CCCSC[C@@H](C)NCc1cccc(C)n1 ZINC000892598191 582924211 /nfs/dbraw/zinc/92/42/11/582924211.db2.gz XRAZTJAIRVPIOR-GFCCVEGCSA-N 0 3 238.400 3.011 20 0 BGADHN CCCSC[C@H](C)NCc1cccc(C)n1 ZINC000892598192 582924583 /nfs/dbraw/zinc/92/45/83/582924583.db2.gz XRAZTJAIRVPIOR-LBPRGKRZSA-N 0 3 238.400 3.011 20 0 BGADHN CCCSC[C@@H](C)NCc1ccc(C)nc1 ZINC000892605708 582927058 /nfs/dbraw/zinc/92/70/58/582927058.db2.gz VOSZYENRIAOARD-GFCCVEGCSA-N 0 3 238.400 3.011 20 0 BGADHN CCCSC[C@H](C)NCc1ccc(C)nc1 ZINC000892605709 582927445 /nfs/dbraw/zinc/92/74/45/582927445.db2.gz VOSZYENRIAOARD-LBPRGKRZSA-N 0 3 238.400 3.011 20 0 BGADHN CCCSC[C@H](C)NCc1ccoc1C ZINC000892659156 582942927 /nfs/dbraw/zinc/94/29/27/582942927.db2.gz QTSWBSYWCYSPNC-JTQLQIEISA-N 0 3 227.373 3.209 20 0 BGADHN CCCSC[C@@H](C)NCc1ccoc1C ZINC000892659157 582943186 /nfs/dbraw/zinc/94/31/86/582943186.db2.gz QTSWBSYWCYSPNC-SNVBAGLBSA-N 0 3 227.373 3.209 20 0 BGADHN CCOc1ccc(CN[C@H](C)[C@H](C)CC)o1 ZINC000892677253 582950351 /nfs/dbraw/zinc/95/03/51/582950351.db2.gz XSRGTJKKSRDNBB-GHMZBOCLSA-N 0 3 225.332 3.203 20 0 BGADHN CCOc1ccc(CN[C@@H](C)[C@H](C)CC)o1 ZINC000892677254 582950296 /nfs/dbraw/zinc/95/02/96/582950296.db2.gz XSRGTJKKSRDNBB-MNOVXSKESA-N 0 3 225.332 3.203 20 0 BGADHN CCOc1ccc(CN[C@@H](C)[C@@H](C)CC)o1 ZINC000892677255 582950285 /nfs/dbraw/zinc/95/02/85/582950285.db2.gz XSRGTJKKSRDNBB-QWRGUYRKSA-N 0 3 225.332 3.203 20 0 BGADHN CCOc1ccc(CN[C@H](C)[C@@H](C)CC)o1 ZINC000892677256 582950280 /nfs/dbraw/zinc/95/02/80/582950280.db2.gz XSRGTJKKSRDNBB-WDEREUQCSA-N 0 3 225.332 3.203 20 0 BGADHN CCOc1ccc(CNC[C@@H]2CC=CCC2)o1 ZINC000892746609 582976099 /nfs/dbraw/zinc/97/60/99/582976099.db2.gz ZDRSXHHPZMADGJ-GFCCVEGCSA-N 0 3 235.327 3.124 20 0 BGADHN CCOc1ccc(CNC[C@H]2CC=CCC2)o1 ZINC000892746610 582975717 /nfs/dbraw/zinc/97/57/17/582975717.db2.gz ZDRSXHHPZMADGJ-LBPRGKRZSA-N 0 3 235.327 3.124 20 0 BGADHN CCCSC[C@@H](C)NCc1cccc(O)c1 ZINC000892785372 582982036 /nfs/dbraw/zinc/98/20/36/582982036.db2.gz RZLYFJUTONAVBT-LLVKDONJSA-N 0 3 239.384 3.014 20 0 BGADHN CCCSC[C@H](C)NCc1cccc(O)c1 ZINC000892785373 582981649 /nfs/dbraw/zinc/98/16/49/582981649.db2.gz RZLYFJUTONAVBT-NSHDSACASA-N 0 3 239.384 3.014 20 0 BGADHN CC(C)c1nnc(CNC(C)(C)C(C)C)s1 ZINC000892880746 583002436 /nfs/dbraw/zinc/00/24/36/583002436.db2.gz IAWCUPDHUHUFGP-UHFFFAOYSA-N 0 3 241.404 3.186 20 0 BGADHN CCCSC[C@@H](C)NCc1scnc1C ZINC000892921244 583009391 /nfs/dbraw/zinc/00/93/91/583009391.db2.gz PRXVRVFXXFRBMW-SECBINFHSA-N 0 3 244.429 3.073 20 0 BGADHN CCCSC[C@H](C)NCc1scnc1C ZINC000892921245 583009317 /nfs/dbraw/zinc/00/93/17/583009317.db2.gz PRXVRVFXXFRBMW-VIFPVBQESA-N 0 3 244.429 3.073 20 0 BGADHN CCc1onc(C)c1CNCC1(C)CCCC1 ZINC000892947181 583016449 /nfs/dbraw/zinc/01/64/49/583016449.db2.gz YPHAARIWSIBZGW-UHFFFAOYSA-N 0 3 236.359 3.215 20 0 BGADHN CCc1onc(C)c1CNCCCC(C)(C)C ZINC000892978999 583024764 /nfs/dbraw/zinc/02/47/64/583024764.db2.gz FATDRLNAXWWGGG-UHFFFAOYSA-N 0 3 238.375 3.461 20 0 BGADHN COc1ccc(CNCCCC(C)(C)C)nc1 ZINC000892979833 583024728 /nfs/dbraw/zinc/02/47/28/583024728.db2.gz JFEWCRZGYIYKIM-UHFFFAOYSA-N 0 3 236.359 3.006 20 0 BGADHN [O-]c1cc(Cl)cc(C[NH2+][C@@H]2CC=CCC2)c1 ZINC000893002645 583027889 /nfs/dbraw/zinc/02/78/89/583027889.db2.gz AIVOSEHCUKCDSU-GFCCVEGCSA-N 0 3 237.730 3.244 20 0 BGADHN [O-]c1cc(Cl)cc(C[NH2+][C@H]2CC=CCC2)c1 ZINC000893002650 583027357 /nfs/dbraw/zinc/02/73/57/583027357.db2.gz AIVOSEHCUKCDSU-LBPRGKRZSA-N 0 3 237.730 3.244 20 0 BGADHN CCc1onc(C)c1CNCCCCC(C)C ZINC000893043556 583036593 /nfs/dbraw/zinc/03/65/93/583036593.db2.gz ZBPUSHREXDTUKY-UHFFFAOYSA-N 0 3 238.375 3.461 20 0 BGADHN CC[C@@H](C)C[C@@H](C)NCc1ccc(OC)o1 ZINC000893087058 583046571 /nfs/dbraw/zinc/04/65/71/583046571.db2.gz UBVNBJVOTBRJPM-GHMZBOCLSA-N 0 3 225.332 3.203 20 0 BGADHN CC[C@@H](C)C[C@H](C)NCc1ccc(OC)o1 ZINC000893087059 583046563 /nfs/dbraw/zinc/04/65/63/583046563.db2.gz UBVNBJVOTBRJPM-MNOVXSKESA-N 0 3 225.332 3.203 20 0 BGADHN CC[C@H](C)C[C@H](C)NCc1ccc(OC)o1 ZINC000893087060 583046426 /nfs/dbraw/zinc/04/64/26/583046426.db2.gz UBVNBJVOTBRJPM-QWRGUYRKSA-N 0 3 225.332 3.203 20 0 BGADHN CC[C@H](C)C[C@@H](C)NCc1ccc(OC)o1 ZINC000893087061 583046466 /nfs/dbraw/zinc/04/64/66/583046466.db2.gz UBVNBJVOTBRJPM-WDEREUQCSA-N 0 3 225.332 3.203 20 0 BGADHN CC[C@@H](C)C[C@H](C)NCc1ccc(OC)cn1 ZINC000893087459 583046539 /nfs/dbraw/zinc/04/65/39/583046539.db2.gz WVECIJDQTYYYOT-NEPJUHHUSA-N 0 3 236.359 3.005 20 0 BGADHN CC[C@H](C)C[C@@H](C)NCc1ccc(OC)cn1 ZINC000893087460 583046518 /nfs/dbraw/zinc/04/65/18/583046518.db2.gz WVECIJDQTYYYOT-NWDGAFQWSA-N 0 3 236.359 3.005 20 0 BGADHN CC[C@H](C)C[C@H](C)NCc1ccc(OC)cn1 ZINC000893087461 583046258 /nfs/dbraw/zinc/04/62/58/583046258.db2.gz WVECIJDQTYYYOT-RYUDHWBXSA-N 0 3 236.359 3.005 20 0 BGADHN CC[C@@H](C)C[C@@H](C)NCc1ccc(OC)cn1 ZINC000893087462 583046161 /nfs/dbraw/zinc/04/61/61/583046161.db2.gz WVECIJDQTYYYOT-VXGBXAGGSA-N 0 3 236.359 3.005 20 0 BGADHN COc1ccc2nccc(N3CC=CCC3)c2c1 ZINC000893104042 583050245 /nfs/dbraw/zinc/05/02/45/583050245.db2.gz XTKMMDDDWWYCQS-UHFFFAOYSA-N 0 3 240.306 3.010 20 0 BGADHN FCCCNCc1ccc(C(F)F)c(F)c1 ZINC000893123580 583052713 /nfs/dbraw/zinc/05/27/13/583052713.db2.gz JZRBMNJMIMJPHF-UHFFFAOYSA-N 0 3 235.224 3.213 20 0 BGADHN Cc1oc(C(C)(C)C)cc1CNCCCF ZINC000893123905 583052514 /nfs/dbraw/zinc/05/25/14/583052514.db2.gz QDOCDNGLALZZAH-UHFFFAOYSA-N 0 3 227.323 3.335 20 0 BGADHN CCCC1(CNCc2c(C)noc2CC)CC1 ZINC000893125912 583053274 /nfs/dbraw/zinc/05/32/74/583053274.db2.gz RFWINGMIBXCLKU-UHFFFAOYSA-N 0 3 236.359 3.215 20 0 BGADHN CC(C)CCCCNCc1ncccc1F ZINC000893182334 583065803 /nfs/dbraw/zinc/06/58/03/583065803.db2.gz IVVMYULYAXWSMT-UHFFFAOYSA-N 0 3 224.323 3.137 20 0 BGADHN CCOc1ccc(CN[C@H](C)CC(C)C)o1 ZINC000893184384 583066695 /nfs/dbraw/zinc/06/66/95/583066695.db2.gz SURIRFHBMBMYML-LLVKDONJSA-N 0 3 225.332 3.203 20 0 BGADHN CCOc1ccc(CN[C@@H](C)CC(C)C)o1 ZINC000893184385 583066727 /nfs/dbraw/zinc/06/67/27/583066727.db2.gz SURIRFHBMBMYML-NSHDSACASA-N 0 3 225.332 3.203 20 0 BGADHN CCc1onc(C)c1CNCC1(C2CC2)CCC1 ZINC000893185525 583065951 /nfs/dbraw/zinc/06/59/51/583065951.db2.gz YBDAQGANVKVKPJ-UHFFFAOYSA-N 0 3 248.370 3.215 20 0 BGADHN Cc1cc(C)nc(NCc2cnc(F)cc2C)c1 ZINC000893202248 583069795 /nfs/dbraw/zinc/06/97/95/583069795.db2.gz CNXGJHHHHKKTLD-UHFFFAOYSA-N 0 3 245.301 3.153 20 0 BGADHN Cc1cc(C)nc(NCc2cnc(F)c(C)c2)c1 ZINC000893202257 583069697 /nfs/dbraw/zinc/06/96/97/583069697.db2.gz CSHSOKPKXWVFFB-UHFFFAOYSA-N 0 3 245.301 3.153 20 0 BGADHN COC1CCC(CNc2cc(C)cc(C)n2)CC1 ZINC000893202341 583070371 /nfs/dbraw/zinc/07/03/71/583070371.db2.gz FUOKXYGJFQYJKO-UHFFFAOYSA-N 0 3 248.370 3.316 20 0 BGADHN CC(C)CCCCNCc1cccc(F)n1 ZINC000893202605 583070445 /nfs/dbraw/zinc/07/04/45/583070445.db2.gz LQRNCJFVZGMWHT-UHFFFAOYSA-N 0 3 224.323 3.137 20 0 BGADHN CCOc1ccc(CNc2cc(C)cc(C)n2)o1 ZINC000893203086 583070366 /nfs/dbraw/zinc/07/03/66/583070366.db2.gz SWMYAJVGUBCSPB-UHFFFAOYSA-N 0 3 246.310 3.302 20 0 BGADHN CCc1onc(C)c1CNc1cc(C)cc(C)n1 ZINC000893203348 583070471 /nfs/dbraw/zinc/07/04/71/583070471.db2.gz ZCGOMBPHJBDGOJ-UHFFFAOYSA-N 0 3 245.326 3.169 20 0 BGADHN CCOc1ccc(CNCCC2=CCCC2)o1 ZINC000893223064 583074137 /nfs/dbraw/zinc/07/41/37/583074137.db2.gz CCYVHTKMQQOERD-UHFFFAOYSA-N 0 3 235.327 3.268 20 0 BGADHN CCc1onc(C)c1CNCCC1=CCCC1 ZINC000893223849 583074054 /nfs/dbraw/zinc/07/40/54/583074054.db2.gz ODTVGVCSZQKVEV-UHFFFAOYSA-N 0 3 234.343 3.135 20 0 BGADHN CCCSC[C@@H](C)NCc1cncc(C)c1 ZINC000893249380 583078213 /nfs/dbraw/zinc/07/82/13/583078213.db2.gz QHXWMXYOONQVRV-GFCCVEGCSA-N 0 3 238.400 3.011 20 0 BGADHN CCCSC[C@H](C)NCc1cncc(C)c1 ZINC000893249381 583077862 /nfs/dbraw/zinc/07/78/62/583077862.db2.gz QHXWMXYOONQVRV-LBPRGKRZSA-N 0 3 238.400 3.011 20 0 BGADHN CC1([NH2+]Cc2cc([O-])cc(Cl)c2)CCC1 ZINC000893384356 583133723 /nfs/dbraw/zinc/13/37/23/583133723.db2.gz PQADXKAGCVUXOQ-UHFFFAOYSA-N 0 3 225.719 3.078 20 0 BGADHN Cc1cc(F)ncc1CN(C)C[C@@H]1CC=CCC1 ZINC000893521224 583156801 /nfs/dbraw/zinc/15/68/01/583156801.db2.gz ALGMWVXOZAWJHE-CYBMUJFWSA-N 0 3 248.345 3.317 20 0 BGADHN Cc1cc(F)ncc1CN(C)C[C@H]1CC=CCC1 ZINC000893521225 583156882 /nfs/dbraw/zinc/15/68/82/583156882.db2.gz ALGMWVXOZAWJHE-ZDUSSCGKSA-N 0 3 248.345 3.317 20 0 BGADHN COc1ccc(CN(C)C[C@@H]2CC=CCC2)o1 ZINC000893522270 583156567 /nfs/dbraw/zinc/15/65/67/583156567.db2.gz OTLUMUDXUKWDGT-GFCCVEGCSA-N 0 3 235.327 3.076 20 0 BGADHN COc1ccc(CN(C)C[C@H]2CC=CCC2)o1 ZINC000893522271 583156614 /nfs/dbraw/zinc/15/66/14/583156614.db2.gz OTLUMUDXUKWDGT-LBPRGKRZSA-N 0 3 235.327 3.076 20 0 BGADHN Cc1cc(CN(C)C[C@@H]2CC=CCC2)cnc1F ZINC000893522315 583156653 /nfs/dbraw/zinc/15/66/53/583156653.db2.gz PRUWXZYHXNERAV-CYBMUJFWSA-N 0 3 248.345 3.317 20 0 BGADHN Cc1cc(CN(C)C[C@H]2CC=CCC2)cnc1F ZINC000893522316 583156535 /nfs/dbraw/zinc/15/65/35/583156535.db2.gz PRUWXZYHXNERAV-ZDUSSCGKSA-N 0 3 248.345 3.317 20 0 BGADHN CC(C)(C)[C@@H]1CCN(Cc2nccn2C2CC2)C1 ZINC000893531983 634574426 /nfs/dbraw/zinc/57/44/26/634574426.db2.gz QRYVBYGBQDRWMG-GFCCVEGCSA-N 0 3 247.386 3.086 20 0 BGADHN CC(C)(C)[C@H]1CCN(Cc2nccn2C2CC2)C1 ZINC000893531984 634573864 /nfs/dbraw/zinc/57/38/64/634573864.db2.gz QRYVBYGBQDRWMG-LBPRGKRZSA-N 0 3 247.386 3.086 20 0 BGADHN CCN(CCC1CC1)Cc1ccnn1C1CCC1 ZINC000893589102 635192144 /nfs/dbraw/zinc/19/21/44/635192144.db2.gz DPMFWNVUEXQKRK-UHFFFAOYSA-N 0 3 247.386 3.230 20 0 BGADHN CCN(CCC1CC1)Cc1cnc(F)c(C)c1 ZINC000893589375 583168082 /nfs/dbraw/zinc/16/80/82/583168082.db2.gz GRXWSXFDMZGPEY-UHFFFAOYSA-N 0 3 236.334 3.151 20 0 BGADHN CCN(CCC1CC1)Cc1cnn(C2CCC2)c1 ZINC000893591555 583168577 /nfs/dbraw/zinc/16/85/77/583168577.db2.gz VENLEUXLRYZUNZ-UHFFFAOYSA-N 0 3 247.386 3.230 20 0 BGADHN CC(C)CCCCN[C@H](CCO)c1ccco1 ZINC000893646247 583185983 /nfs/dbraw/zinc/18/59/83/583185983.db2.gz RBYBHEUHQJVBDO-CYBMUJFWSA-N 0 3 239.359 3.119 20 0 BGADHN CC(C)CCCCN[C@@H](CCO)c1ccco1 ZINC000893646248 583185991 /nfs/dbraw/zinc/18/59/91/583185991.db2.gz RBYBHEUHQJVBDO-ZDUSSCGKSA-N 0 3 239.359 3.119 20 0 BGADHN CC(C)CCCCN[C@H](CO)c1ccsc1 ZINC000893654993 583187951 /nfs/dbraw/zinc/18/79/51/583187951.db2.gz MAPAZZSMSSUNOE-CYBMUJFWSA-N 0 3 241.400 3.197 20 0 BGADHN CC(C)CCCCN[C@@H](CO)c1ccsc1 ZINC000893654994 583187943 /nfs/dbraw/zinc/18/79/43/583187943.db2.gz MAPAZZSMSSUNOE-ZDUSSCGKSA-N 0 3 241.400 3.197 20 0 BGADHN CC[C@H]1[C@@H](C)CCN1Cc1cnc(F)c(C)c1 ZINC000893674985 583194568 /nfs/dbraw/zinc/19/45/68/583194568.db2.gz BJYKVPNLDMWHOB-GWCFXTLKSA-N 0 3 236.334 3.150 20 0 BGADHN CC[C@@H]1[C@@H](C)CCN1Cc1cnc(F)c(C)c1 ZINC000893674986 583194216 /nfs/dbraw/zinc/19/42/16/583194216.db2.gz BJYKVPNLDMWHOB-GXFFZTMASA-N 0 3 236.334 3.150 20 0 BGADHN CC[C@H]1[C@H](C)CCN1Cc1cnc(F)c(C)c1 ZINC000893674987 583194644 /nfs/dbraw/zinc/19/46/44/583194644.db2.gz BJYKVPNLDMWHOB-MFKMUULPSA-N 0 3 236.334 3.150 20 0 BGADHN CC[C@@H]1[C@H](C)CCN1Cc1cnc(F)c(C)c1 ZINC000893674988 583194022 /nfs/dbraw/zinc/19/40/22/583194022.db2.gz BJYKVPNLDMWHOB-ZWNOBZJWSA-N 0 3 236.334 3.150 20 0 BGADHN CC[C@H]1[C@H](C)CCN1Cc1cnn(C2CCC2)c1 ZINC000893676521 583195707 /nfs/dbraw/zinc/19/57/07/583195707.db2.gz LSZRBHOKLODXLU-DOMZBBRYSA-N 0 3 247.386 3.229 20 0 BGADHN CC[C@@H]1[C@H](C)CCN1Cc1cnn(C2CCC2)c1 ZINC000893676522 583194986 /nfs/dbraw/zinc/19/49/86/583194986.db2.gz LSZRBHOKLODXLU-IUODEOHRSA-N 0 3 247.386 3.229 20 0 BGADHN CC[C@@H]1[C@@H](C)CCN1Cc1cnn(C2CCC2)c1 ZINC000893676523 583195422 /nfs/dbraw/zinc/19/54/22/583195422.db2.gz LSZRBHOKLODXLU-SWLSCSKDSA-N 0 3 247.386 3.229 20 0 BGADHN CC[C@H]1[C@@H](C)CCN1Cc1cnn(C2CCC2)c1 ZINC000893676524 583195466 /nfs/dbraw/zinc/19/54/66/583195466.db2.gz LSZRBHOKLODXLU-WFASDCNBSA-N 0 3 247.386 3.229 20 0 BGADHN CC[C@H]1[C@@H](C)CCN1Cc1cnc(F)cc1C ZINC000893676581 583195071 /nfs/dbraw/zinc/19/50/71/583195071.db2.gz NBQHIUKSAAJGSK-GWCFXTLKSA-N 0 3 236.334 3.150 20 0 BGADHN CC[C@@H]1[C@@H](C)CCN1Cc1cnc(F)cc1C ZINC000893676582 583195203 /nfs/dbraw/zinc/19/52/03/583195203.db2.gz NBQHIUKSAAJGSK-GXFFZTMASA-N 0 3 236.334 3.150 20 0 BGADHN CC[C@H]1[C@H](C)CCN1Cc1cnc(F)cc1C ZINC000893676583 583195405 /nfs/dbraw/zinc/19/54/05/583195405.db2.gz NBQHIUKSAAJGSK-MFKMUULPSA-N 0 3 236.334 3.150 20 0 BGADHN CC[C@@H]1[C@H](C)CCN1Cc1cnc(F)cc1C ZINC000893676584 583195767 /nfs/dbraw/zinc/19/57/67/583195767.db2.gz NBQHIUKSAAJGSK-ZWNOBZJWSA-N 0 3 236.334 3.150 20 0 BGADHN CC[C@H]1[C@H](C)CCN1Cc1ccnn1C1CCC1 ZINC000893676587 583194944 /nfs/dbraw/zinc/19/49/44/583194944.db2.gz NEEDVYYZJUNKID-DOMZBBRYSA-N 0 3 247.386 3.229 20 0 BGADHN CC[C@@H]1[C@H](C)CCN1Cc1ccnn1C1CCC1 ZINC000893676788 583195492 /nfs/dbraw/zinc/19/54/92/583195492.db2.gz NEEDVYYZJUNKID-IUODEOHRSA-N 0 3 247.386 3.229 20 0 BGADHN CC[C@@H]1[C@@H](C)CCN1Cc1ccnn1C1CCC1 ZINC000893676789 583195683 /nfs/dbraw/zinc/19/56/83/583195683.db2.gz NEEDVYYZJUNKID-SWLSCSKDSA-N 0 3 247.386 3.229 20 0 BGADHN CC[C@H]1[C@@H](C)CCN1Cc1ccnn1C1CCC1 ZINC000893676790 583195736 /nfs/dbraw/zinc/19/57/36/583195736.db2.gz NEEDVYYZJUNKID-WFASDCNBSA-N 0 3 247.386 3.229 20 0 BGADHN C[C@@H]1CCCCN(Cc2cnn(C3CCC3)c2)C1 ZINC000893679368 583196124 /nfs/dbraw/zinc/19/61/24/583196124.db2.gz RMQKVCSFDJKGGL-CYBMUJFWSA-N 0 3 247.386 3.230 20 0 BGADHN C[C@H]1CCCCN(Cc2cnn(C3CCC3)c2)C1 ZINC000893679370 583196204 /nfs/dbraw/zinc/19/62/04/583196204.db2.gz RMQKVCSFDJKGGL-ZDUSSCGKSA-N 0 3 247.386 3.230 20 0 BGADHN Cc1cc(F)ncc1CN1CCCC[C@@H](C)C1 ZINC000893679589 583196935 /nfs/dbraw/zinc/19/69/35/583196935.db2.gz UNWIZIAOGCYDIE-LLVKDONJSA-N 0 3 236.334 3.151 20 0 BGADHN Cc1cc(F)ncc1CN1CCCC[C@H](C)C1 ZINC000893679590 583197061 /nfs/dbraw/zinc/19/70/61/583197061.db2.gz UNWIZIAOGCYDIE-NSHDSACASA-N 0 3 236.334 3.151 20 0 BGADHN C[C@@H]1CCCCN(Cc2ccnn2C2CCC2)C1 ZINC000893679631 583196892 /nfs/dbraw/zinc/19/68/92/583196892.db2.gz VQOSIZVDIDTXRH-CYBMUJFWSA-N 0 3 247.386 3.230 20 0 BGADHN C[C@H]1CCCCN(Cc2ccnn2C2CCC2)C1 ZINC000893679632 583196924 /nfs/dbraw/zinc/19/69/24/583196924.db2.gz VQOSIZVDIDTXRH-ZDUSSCGKSA-N 0 3 247.386 3.230 20 0 BGADHN C[C@@H]1CCCCN(Cc2cn3ccnc3s2)C1 ZINC000893679983 583197725 /nfs/dbraw/zinc/19/77/25/583197725.db2.gz YJAOZMGOQKMDHO-LLVKDONJSA-N 0 3 249.383 3.018 20 0 BGADHN C[C@H]1CCCCN(Cc2cn3ccnc3s2)C1 ZINC000893679984 583197983 /nfs/dbraw/zinc/19/79/83/583197983.db2.gz YJAOZMGOQKMDHO-NSHDSACASA-N 0 3 249.383 3.018 20 0 BGADHN Cc1cc(CN2CCCC[C@@H](C)C2)cnc1F ZINC000893680019 583197820 /nfs/dbraw/zinc/19/78/20/583197820.db2.gz ZPOWNWBBAZIOCT-LLVKDONJSA-N 0 3 236.334 3.151 20 0 BGADHN Cc1cc(CN2CCCC[C@H](C)C2)cnc1F ZINC000893680020 583197907 /nfs/dbraw/zinc/19/79/07/583197907.db2.gz ZPOWNWBBAZIOCT-NSHDSACASA-N 0 3 236.334 3.151 20 0 BGADHN CCCN(CC)Cc1ccc(SC)o1 ZINC000893864206 583234232 /nfs/dbraw/zinc/23/42/32/583234232.db2.gz TUPVNXHHCLKKPZ-UHFFFAOYSA-N 0 3 213.346 3.233 20 0 BGADHN CSc1ccc(CN2CCCC[C@@H]2C)o1 ZINC000893870722 583235879 /nfs/dbraw/zinc/23/58/79/583235879.db2.gz ATDMZKTXNIIWFC-JTQLQIEISA-N 0 3 225.357 3.376 20 0 BGADHN CSc1ccc(CN2CCCC[C@H]2C)o1 ZINC000893870723 583236108 /nfs/dbraw/zinc/23/61/08/583236108.db2.gz ATDMZKTXNIIWFC-SNVBAGLBSA-N 0 3 225.357 3.376 20 0 BGADHN CCCCN(CCCC)Cc1ocnc1C ZINC000893870814 583235530 /nfs/dbraw/zinc/23/55/30/583235530.db2.gz HOLVBSMKAPQJGW-UHFFFAOYSA-N 0 3 224.348 3.385 20 0 BGADHN CC(C)N(C)Cc1ccccc1OCC(F)F ZINC000893870838 583236430 /nfs/dbraw/zinc/23/64/30/583236430.db2.gz CZCQLTVWESVURZ-UHFFFAOYSA-N 0 3 243.297 3.171 20 0 BGADHN CSc1ccc(CN2CCCCCC2)o1 ZINC000893871062 583235387 /nfs/dbraw/zinc/23/53/87/583235387.db2.gz KECXSLWAMKORNT-UHFFFAOYSA-N 0 3 225.357 3.378 20 0 BGADHN CCN(Cc1n[nH]c(C)c1C)Cc1ccccc1 ZINC000893871160 583235770 /nfs/dbraw/zinc/23/57/70/583235770.db2.gz HAFRBDTWNUCNGQ-UHFFFAOYSA-N 0 3 243.354 3.049 20 0 BGADHN Cc1n[nH]c(CN([C@H](C)C(C)C)C2CC2)c1C ZINC000893871320 583237396 /nfs/dbraw/zinc/23/73/96/583237396.db2.gz KAKYPRGFRHGKEC-GFCCVEGCSA-N 0 3 235.375 3.035 20 0 BGADHN Cc1n[nH]c(CN([C@@H](C)C(C)C)C2CC2)c1C ZINC000893871321 583237356 /nfs/dbraw/zinc/23/73/56/583237356.db2.gz KAKYPRGFRHGKEC-LBPRGKRZSA-N 0 3 235.375 3.035 20 0 BGADHN CSc1ccc(CN2CCC[C@H](C)C2)o1 ZINC000893871779 583236900 /nfs/dbraw/zinc/23/69/00/583236900.db2.gz PQFGQNWUAWPLRN-JTQLQIEISA-N 0 3 225.357 3.233 20 0 BGADHN CSc1ccc(CN2CCC[C@@H](C)C2)o1 ZINC000893871780 583237946 /nfs/dbraw/zinc/23/79/46/583237946.db2.gz PQFGQNWUAWPLRN-SNVBAGLBSA-N 0 3 225.357 3.233 20 0 BGADHN CC(C)[N@@H+](C)Cc1cc2c(cccc2[O-])s1 ZINC000893872379 583237680 /nfs/dbraw/zinc/23/76/80/583237680.db2.gz SCYNINZZUZCBTQ-UHFFFAOYSA-N 0 3 235.352 3.447 20 0 BGADHN CC(C)[N@H+](C)Cc1cc2c(cccc2[O-])s1 ZINC000893872379 583237678 /nfs/dbraw/zinc/23/76/78/583237678.db2.gz SCYNINZZUZCBTQ-UHFFFAOYSA-N 0 3 235.352 3.447 20 0 BGADHN CCCCN(C)Cc1ccc(SC)o1 ZINC000893872482 583237317 /nfs/dbraw/zinc/23/73/17/583237317.db2.gz UMDWWUPHXQWUMI-UHFFFAOYSA-N 0 3 213.346 3.233 20 0 BGADHN CCN(Cc1ocnc1C)C1CCCCC1 ZINC000893873153 583238553 /nfs/dbraw/zinc/23/85/53/583238553.db2.gz WZZCCWSVXBIMSH-UHFFFAOYSA-N 0 3 222.332 3.138 20 0 BGADHN CCN(Cc1[nH]nc(C)c1C)C1CCCCC1 ZINC000893873194 583239192 /nfs/dbraw/zinc/23/91/92/583239192.db2.gz XZDNJFZWCSLSNM-UHFFFAOYSA-N 0 3 235.375 3.181 20 0 BGADHN CCc1onc(C)c1CNCC1CC(C)(C)C1 ZINC000893875625 583239113 /nfs/dbraw/zinc/23/91/13/583239113.db2.gz UQPCVPIHGLLXBW-UHFFFAOYSA-N 0 3 236.359 3.071 20 0 BGADHN CCCCN(CC)Cc1cnc2onc(C)c2c1 ZINC000893878259 583240116 /nfs/dbraw/zinc/24/01/16/583240116.db2.gz TUAVTIOMBJMYHY-UHFFFAOYSA-N 0 3 247.342 3.153 20 0 BGADHN COc1ccc(CNCC(C)(C)C(C)C)o1 ZINC000893888689 583243577 /nfs/dbraw/zinc/24/35/77/583243577.db2.gz MTFOVYRUPCMSDS-UHFFFAOYSA-N 0 3 225.332 3.060 20 0 BGADHN CCc1onc(C)c1CNCC(C)(C)C(C)C ZINC000893889256 583244282 /nfs/dbraw/zinc/24/42/82/583244282.db2.gz YNJZMDSZPCURFZ-UHFFFAOYSA-N 0 3 238.375 3.317 20 0 BGADHN Cc1[nH]nc(CN(C)[C@H](C)c2ccccc2)c1C ZINC000893905836 583243161 /nfs/dbraw/zinc/24/31/61/583243161.db2.gz SEUWQWGAFGUFKU-CYBMUJFWSA-N 0 3 243.354 3.220 20 0 BGADHN Cc1[nH]nc(CN(C)[C@@H](C)c2ccccc2)c1C ZINC000893905837 583243031 /nfs/dbraw/zinc/24/30/31/583243031.db2.gz SEUWQWGAFGUFKU-ZDUSSCGKSA-N 0 3 243.354 3.220 20 0 BGADHN Cc1n[nH]c(CN(C)C2CCC(C)CC2)c1C ZINC000893908890 583250158 /nfs/dbraw/zinc/25/01/58/583250158.db2.gz FRMGYINCBWVDLY-UHFFFAOYSA-N 0 3 235.375 3.037 20 0 BGADHN CO[C@@H](C)CNCc1cc(C(C)(C)C)oc1C ZINC000893912135 583246468 /nfs/dbraw/zinc/24/64/68/583246468.db2.gz ZCEMMMRDJUZOME-JTQLQIEISA-N 0 3 239.359 3.010 20 0 BGADHN CO[C@H](C)CNCc1cc(C(C)(C)C)oc1C ZINC000893912137 583246029 /nfs/dbraw/zinc/24/60/29/583246029.db2.gz ZCEMMMRDJUZOME-SNVBAGLBSA-N 0 3 239.359 3.010 20 0 BGADHN Cc1ncoc1CN(C)C1CCCCCC1 ZINC000893914089 583246331 /nfs/dbraw/zinc/24/63/31/583246331.db2.gz CARQQLKVHDUJQS-UHFFFAOYSA-N 0 3 222.332 3.138 20 0 BGADHN CSc1ccc(CN(C)C2CCCC2)o1 ZINC000893915534 583246351 /nfs/dbraw/zinc/24/63/51/583246351.db2.gz XAYJITMRGZEULL-UHFFFAOYSA-N 0 3 225.357 3.376 20 0 BGADHN Cc1n[nH]c(CN(C)C2CCCCCC2)c1C ZINC000893915552 583246052 /nfs/dbraw/zinc/24/60/52/583246052.db2.gz XQPHSYLNKUVBTM-UHFFFAOYSA-N 0 3 235.375 3.181 20 0 BGADHN Cc1ncoc1CN1CCC[C@H]1c1ccccc1 ZINC000893916228 583245599 /nfs/dbraw/zinc/24/55/99/583245599.db2.gz GIIIGZOANPLVPD-AWEZNQCLSA-N 0 3 242.322 3.320 20 0 BGADHN Cc1ncoc1CN1CCC[C@@H]1c1ccccc1 ZINC000893916229 583247347 /nfs/dbraw/zinc/24/73/47/583247347.db2.gz GIIIGZOANPLVPD-CQSZACIVSA-N 0 3 242.322 3.320 20 0 BGADHN Cc1[nH]nc(CN(C)CC2CCCCC2)c1C ZINC000893920363 583247803 /nfs/dbraw/zinc/24/78/03/583247803.db2.gz RZVQVMAKKMJUDK-UHFFFAOYSA-N 0 3 235.375 3.039 20 0 BGADHN Cc1n[nH]c(CN(C)CC2CCCCC2)c1C ZINC000893920363 583247800 /nfs/dbraw/zinc/24/78/00/583247800.db2.gz RZVQVMAKKMJUDK-UHFFFAOYSA-N 0 3 235.375 3.039 20 0 BGADHN CCN(C)Cc1cn(CC)nc1-c1ccccc1 ZINC000893921792 583248190 /nfs/dbraw/zinc/24/81/90/583248190.db2.gz QNTCUIQHSHMNPS-UHFFFAOYSA-N 0 3 243.354 3.022 20 0 BGADHN CCN(C)Cc1cc2ccnc(Cl)c2s1 ZINC000893921860 583248489 /nfs/dbraw/zinc/24/84/89/583248489.db2.gz SMJYHVROBBPNSY-UHFFFAOYSA-N 0 3 240.759 3.401 20 0 BGADHN CCN(Cc1ccc(SC)o1)C(C)C ZINC000893921981 583247724 /nfs/dbraw/zinc/24/77/24/583247724.db2.gz WBENQMZPKCXJGP-UHFFFAOYSA-N 0 3 213.346 3.232 20 0 BGADHN CSc1ccc(CN(C)CC(C)C)o1 ZINC000893924015 583249138 /nfs/dbraw/zinc/24/91/38/583249138.db2.gz PADZNNQALQPKEI-UHFFFAOYSA-N 0 3 213.346 3.089 20 0 BGADHN Cc1[nH]nc(CN(CCC(C)C)C2CC2)c1C ZINC000893928660 583250591 /nfs/dbraw/zinc/25/05/91/583250591.db2.gz XFXKODGMVWDNKO-UHFFFAOYSA-N 0 3 235.375 3.037 20 0 BGADHN Cc1n[nH]c(CN(CCC(C)C)C2CC2)c1C ZINC000893928660 583250589 /nfs/dbraw/zinc/25/05/89/583250589.db2.gz XFXKODGMVWDNKO-UHFFFAOYSA-N 0 3 235.375 3.037 20 0 BGADHN CCC(CC)N(Cc1[nH]nc(C)c1C)C1CC1 ZINC000893928699 583249880 /nfs/dbraw/zinc/24/98/80/583249880.db2.gz DFEJCFFIFXIPRM-UHFFFAOYSA-N 0 3 235.375 3.180 20 0 BGADHN CCC1CCC(N(C)Cc2ocnc2C)CC1 ZINC000893928974 583250209 /nfs/dbraw/zinc/25/02/09/583250209.db2.gz JATPCMZVUZTDQK-UHFFFAOYSA-N 0 3 236.359 3.384 20 0 BGADHN CCC(CC)N(Cc1ocnc1C)C1CC1 ZINC000893929406 583250826 /nfs/dbraw/zinc/25/08/26/583250826.db2.gz QWDSRFQEHHZGLA-UHFFFAOYSA-N 0 3 222.332 3.136 20 0 BGADHN Cc1n[nH]c(CN(C)[C@H]2CCC[C@H](C)C2)c1C ZINC000893929619 583250241 /nfs/dbraw/zinc/25/02/41/583250241.db2.gz VMDQVHGCHZHUNS-GWCFXTLKSA-N 0 3 235.375 3.037 20 0 BGADHN Cc1n[nH]c(CN(C)[C@@H]2CCC[C@H](C)C2)c1C ZINC000893929620 583250570 /nfs/dbraw/zinc/25/05/70/583250570.db2.gz VMDQVHGCHZHUNS-GXFFZTMASA-N 0 3 235.375 3.037 20 0 BGADHN Cc1n[nH]c(CN(C)[C@H]2CCC[C@@H](C)C2)c1C ZINC000893929622 583250299 /nfs/dbraw/zinc/25/02/99/583250299.db2.gz VMDQVHGCHZHUNS-MFKMUULPSA-N 0 3 235.375 3.037 20 0 BGADHN Cc1n[nH]c(CN(C)[C@@H]2CCC[C@@H](C)C2)c1C ZINC000893929624 583250217 /nfs/dbraw/zinc/25/02/17/583250217.db2.gz VMDQVHGCHZHUNS-ZWNOBZJWSA-N 0 3 235.375 3.037 20 0 BGADHN CSc1ccc(CN(C)[C@@H](C)C(C)C)o1 ZINC000893930985 583251815 /nfs/dbraw/zinc/25/18/15/583251815.db2.gz LGHMCHMYNJVFCT-JTQLQIEISA-N 0 3 227.373 3.478 20 0 BGADHN CSc1ccc(CN(C)[C@H](C)C(C)C)o1 ZINC000893931186 583251609 /nfs/dbraw/zinc/25/16/09/583251609.db2.gz LGHMCHMYNJVFCT-SNVBAGLBSA-N 0 3 227.373 3.478 20 0 BGADHN Cc1noc2ncc(CN(C)CCC(C)C)cc12 ZINC000893931560 583251789 /nfs/dbraw/zinc/25/17/89/583251789.db2.gz QPGGFHXDWPCVPU-UHFFFAOYSA-N 0 3 247.342 3.009 20 0 BGADHN CCCN(Cc1ccc(SC)o1)C1CC1 ZINC000893940630 583255109 /nfs/dbraw/zinc/25/51/09/583255109.db2.gz QXIZZHHITXYODN-UHFFFAOYSA-N 0 3 225.357 3.376 20 0 BGADHN CCN(Cc1cccc2c1NCCC2)C1CC1 ZINC000893940697 583254890 /nfs/dbraw/zinc/25/48/90/583254890.db2.gz SGMQKPXVWYWVOS-UHFFFAOYSA-N 0 3 230.355 3.029 20 0 BGADHN CCCCCN(Cc1[nH]nc(C)c1C)C(C)C ZINC000893945624 583257879 /nfs/dbraw/zinc/25/78/79/583257879.db2.gz DDZFWPBTTPCELA-UHFFFAOYSA-N 0 3 237.391 3.427 20 0 BGADHN Cc1n[nH]c(CN(C2CC2)C2CCCCC2)c1C ZINC000893945629 583257335 /nfs/dbraw/zinc/25/73/35/583257335.db2.gz DTPSVWCDRQOIFW-UHFFFAOYSA-N 0 3 247.386 3.324 20 0 BGADHN CCCCCN(Cc1ocnc1C)C(C)C ZINC000893945631 583257445 /nfs/dbraw/zinc/25/74/45/583257445.db2.gz DXXMKXRUIVGHSU-UHFFFAOYSA-N 0 3 224.348 3.384 20 0 BGADHN CCC[C@H](C)N(C)Cc1cnc2onc(C)c2c1 ZINC000893945686 583257623 /nfs/dbraw/zinc/25/76/23/583257623.db2.gz JJRRLSSVYZDYKN-JTQLQIEISA-N 0 3 247.342 3.152 20 0 BGADHN CCC[C@@H](C)N(C)Cc1cnc2onc(C)c2c1 ZINC000893945687 583257993 /nfs/dbraw/zinc/25/79/93/583257993.db2.gz JJRRLSSVYZDYKN-SNVBAGLBSA-N 0 3 247.342 3.152 20 0 BGADHN Cc1ncoc1CN(C1CC1)C1CCCCC1 ZINC000893945956 583257970 /nfs/dbraw/zinc/25/79/70/583257970.db2.gz QJNTXQADJBYGOB-UHFFFAOYSA-N 0 3 234.343 3.280 20 0 BGADHN CSc1ccc(CN(C)[C@H](C)C2CC2)o1 ZINC000893946191 583257564 /nfs/dbraw/zinc/25/75/64/583257564.db2.gz MOGSQLSUTPDFON-SECBINFHSA-N 0 3 225.357 3.232 20 0 BGADHN CSc1ccc(CN(C)[C@@H](C)C2CC2)o1 ZINC000893946192 583258019 /nfs/dbraw/zinc/25/80/19/583258019.db2.gz MOGSQLSUTPDFON-VIFPVBQESA-N 0 3 225.357 3.232 20 0 BGADHN CCC(CC)CN(CC)Cc1ocnc1C ZINC000893952984 583261140 /nfs/dbraw/zinc/26/11/40/583261140.db2.gz YNSZQRYRLBUDDL-UHFFFAOYSA-N 0 3 224.348 3.241 20 0 BGADHN CSc1ccc(CN(C(C)C)C2CC2)o1 ZINC000893953608 583261133 /nfs/dbraw/zinc/26/11/33/583261133.db2.gz GOGSTQQYDGFDHQ-UHFFFAOYSA-N 0 3 225.357 3.374 20 0 BGADHN CC[C@H](C)CN(C)Cc1cnc2onc(C)c2c1 ZINC000893959391 583262514 /nfs/dbraw/zinc/26/25/14/583262514.db2.gz KTSKHUFGJWQYRS-JTQLQIEISA-N 0 3 247.342 3.009 20 0 BGADHN CC[C@@H](C)CN(C)Cc1cnc2onc(C)c2c1 ZINC000893959393 583263087 /nfs/dbraw/zinc/26/30/87/583263087.db2.gz KTSKHUFGJWQYRS-SNVBAGLBSA-N 0 3 247.342 3.009 20 0 BGADHN C[C@@H]1C[C@H](C)[C@H](C)N(Cc2nccn2C2CC2)C1 ZINC000893960802 583255981 /nfs/dbraw/zinc/25/59/81/583255981.db2.gz XMLHOELMHWDKNP-AGIUHOORSA-N 0 3 247.386 3.084 20 0 BGADHN C[C@@H]1C[C@H](C)[C@@H](C)N(Cc2nccn2C2CC2)C1 ZINC000893960804 583255925 /nfs/dbraw/zinc/25/59/25/583255925.db2.gz XMLHOELMHWDKNP-FRRDWIJNSA-N 0 3 247.386 3.084 20 0 BGADHN C[C@@H]1C[C@@H](C)[C@@H](C)N(Cc2nccn2C2CC2)C1 ZINC000893960805 583255896 /nfs/dbraw/zinc/25/58/96/583255896.db2.gz XMLHOELMHWDKNP-JHJVBQTASA-N 0 3 247.386 3.084 20 0 BGADHN C[C@@H]1C[C@@H](C)[C@H](C)N(Cc2nccn2C2CC2)C1 ZINC000893960806 583255677 /nfs/dbraw/zinc/25/56/77/583255677.db2.gz XMLHOELMHWDKNP-UPJWGTAASA-N 0 3 247.386 3.084 20 0 BGADHN CC(C)CN(Cc1nc(C(C)C)c[nH]1)C(C)C ZINC000893961523 583256690 /nfs/dbraw/zinc/25/66/90/583256690.db2.gz BCROGCMHQVOEQO-UHFFFAOYSA-N 0 3 237.391 3.400 20 0 BGADHN C[N@H+](Cc1cc2c(cccc2[O-])s1)CC1CC1 ZINC000893966193 583263569 /nfs/dbraw/zinc/26/35/69/583263569.db2.gz JGFUCECBZHXRDM-UHFFFAOYSA-N 0 3 247.363 3.449 20 0 BGADHN C[N@@H+](Cc1cc2c(cccc2[O-])s1)CC1CC1 ZINC000893966193 583263566 /nfs/dbraw/zinc/26/35/66/583263566.db2.gz JGFUCECBZHXRDM-UHFFFAOYSA-N 0 3 247.363 3.449 20 0 BGADHN Cc1noc2ncc(CN(C)CC(C)(C)C)cc12 ZINC000893968214 583264048 /nfs/dbraw/zinc/26/40/48/583264048.db2.gz FTIBVEIXBWTEIC-UHFFFAOYSA-N 0 3 247.342 3.009 20 0 BGADHN CC[C@H]1CCCN1Cc1ccc(SC)o1 ZINC000893973322 583265373 /nfs/dbraw/zinc/26/53/73/583265373.db2.gz JFDYGJNPFOKVPB-JTQLQIEISA-N 0 3 225.357 3.376 20 0 BGADHN CC[C@@H]1CCCN1Cc1ccc(SC)o1 ZINC000893973324 583265164 /nfs/dbraw/zinc/26/51/64/583265164.db2.gz JFDYGJNPFOKVPB-SNVBAGLBSA-N 0 3 225.357 3.376 20 0 BGADHN CCN(Cc1nc(C(C)C)c[nH]1)[C@H](C)C(C)C ZINC000893978016 583266146 /nfs/dbraw/zinc/26/61/46/583266146.db2.gz MVUMUQMEMSWHOH-GFCCVEGCSA-N 0 3 237.391 3.400 20 0 BGADHN CCN(Cc1nc(C(C)C)c[nH]1)[C@@H](C)C(C)C ZINC000893978017 583265792 /nfs/dbraw/zinc/26/57/92/583265792.db2.gz MVUMUQMEMSWHOH-LBPRGKRZSA-N 0 3 237.391 3.400 20 0 BGADHN CC(C)c1c[nH]c(CN(C)C(C2CC2)C2CC2)n1 ZINC000893984888 583268877 /nfs/dbraw/zinc/26/88/77/583268877.db2.gz UUZHMRDLMVMLLO-UHFFFAOYSA-N 0 3 247.386 3.154 20 0 BGADHN CSc1ccc(CN2CCCC2(C)C)o1 ZINC000893985551 583268796 /nfs/dbraw/zinc/26/87/96/583268796.db2.gz FWLUUMZGVVAKAF-UHFFFAOYSA-N 0 3 225.357 3.376 20 0 BGADHN Cc1ncoc1CN1CCC(C(C)(C)C)CC1 ZINC000893985650 583269361 /nfs/dbraw/zinc/26/93/61/583269361.db2.gz CWHCZXACLKOWRG-UHFFFAOYSA-N 0 3 236.359 3.241 20 0 BGADHN CC(C)c1c[nH]c(CN2CCC[C@H]2C2CCC2)n1 ZINC000893986148 583269173 /nfs/dbraw/zinc/26/91/73/583269173.db2.gz LATILVIDQIHZGA-AWEZNQCLSA-N 0 3 247.386 3.298 20 0 BGADHN CC(C)c1c[nH]c(CN2CCC[C@@H]2C2CCC2)n1 ZINC000893986149 583268621 /nfs/dbraw/zinc/26/86/21/583268621.db2.gz LATILVIDQIHZGA-CQSZACIVSA-N 0 3 247.386 3.298 20 0 BGADHN Cc1ncoc1CN(C)CCC1CCCCC1 ZINC000893987358 583270475 /nfs/dbraw/zinc/27/04/75/583270475.db2.gz VANKJDVWSMFVKM-UHFFFAOYSA-N 0 3 236.359 3.385 20 0 BGADHN CCC1(C)CCN(Cc2n[nH]c(C)c2C)CC1 ZINC000893988415 583270660 /nfs/dbraw/zinc/27/06/60/583270660.db2.gz XNJCDBGNDUDEJK-UHFFFAOYSA-N 0 3 235.375 3.039 20 0 BGADHN CCC1(C)CCN(Cc2[nH]nc(C)c2C)CC1 ZINC000893988415 583270658 /nfs/dbraw/zinc/27/06/58/583270658.db2.gz XNJCDBGNDUDEJK-UHFFFAOYSA-N 0 3 235.375 3.039 20 0 BGADHN Cc1n[nH]c(CN2CCC[C@@H]2C(C)(C)C)c1C ZINC000893995274 583267882 /nfs/dbraw/zinc/26/78/82/583267882.db2.gz JSHAKQXZODZYGR-CYBMUJFWSA-N 0 3 235.375 3.037 20 0 BGADHN Cc1n[nH]c(CN2CCC[C@H]2C(C)(C)C)c1C ZINC000893995275 583268278 /nfs/dbraw/zinc/26/82/78/583268278.db2.gz JSHAKQXZODZYGR-ZDUSSCGKSA-N 0 3 235.375 3.037 20 0 BGADHN Cc1ncoc1CN(C)C[C@@H](C)c1ccccc1 ZINC000893995815 583267539 /nfs/dbraw/zinc/26/75/39/583267539.db2.gz QCHFKQVFEUSVNN-GFCCVEGCSA-N 0 3 244.338 3.219 20 0 BGADHN Cc1ncoc1CN(C)C[C@H](C)c1ccccc1 ZINC000893995816 583267741 /nfs/dbraw/zinc/26/77/41/583267741.db2.gz QCHFKQVFEUSVNN-LBPRGKRZSA-N 0 3 244.338 3.219 20 0 BGADHN Cc1ncoc1CN1CCC2(CCCC2)CC1 ZINC000894001227 583271539 /nfs/dbraw/zinc/27/15/39/583271539.db2.gz FGZMNPWHXCOMLB-UHFFFAOYSA-N 0 3 234.343 3.139 20 0 BGADHN CSc1ccc(CN2CCC[C@@H]2C2CC2)o1 ZINC000894001274 583271655 /nfs/dbraw/zinc/27/16/55/583271655.db2.gz HIBLZEZRHFTBCU-GFCCVEGCSA-N 0 3 237.368 3.376 20 0 BGADHN CSc1ccc(CN2CCC[C@H]2C2CC2)o1 ZINC000894001275 583271186 /nfs/dbraw/zinc/27/11/86/583271186.db2.gz HIBLZEZRHFTBCU-LBPRGKRZSA-N 0 3 237.368 3.376 20 0 BGADHN Cc1[nH]nc(CN2CCC3(CCCC3)CC2)c1C ZINC000894002083 583272833 /nfs/dbraw/zinc/27/28/33/583272833.db2.gz MBNIXRVRJASMLC-UHFFFAOYSA-N 0 3 247.386 3.183 20 0 BGADHN Cc1n[nH]c(CN2CCC3(CCCC3)CC2)c1C ZINC000894002083 583272832 /nfs/dbraw/zinc/27/28/32/583272832.db2.gz MBNIXRVRJASMLC-UHFFFAOYSA-N 0 3 247.386 3.183 20 0 BGADHN CC[C@H](C)[C@@H](C)N(Cc1ocnc1C)C1CC1 ZINC000894003166 583272731 /nfs/dbraw/zinc/27/27/31/583272731.db2.gz AEBJHEOSKYETJC-CMPLNLGQSA-N 0 3 236.359 3.382 20 0 BGADHN CC[C@H](C)[C@H](C)N(Cc1ocnc1C)C1CC1 ZINC000894003167 583272893 /nfs/dbraw/zinc/27/28/93/583272893.db2.gz AEBJHEOSKYETJC-JQWIXIFHSA-N 0 3 236.359 3.382 20 0 BGADHN CC[C@@H](C)[C@H](C)N(Cc1ocnc1C)C1CC1 ZINC000894003168 583272932 /nfs/dbraw/zinc/27/29/32/583272932.db2.gz AEBJHEOSKYETJC-PWSUYJOCSA-N 0 3 236.359 3.382 20 0 BGADHN CC[C@@H](C)[C@@H](C)N(Cc1ocnc1C)C1CC1 ZINC000894003169 583272679 /nfs/dbraw/zinc/27/26/79/583272679.db2.gz AEBJHEOSKYETJC-ZYHUDNBSSA-N 0 3 236.359 3.382 20 0 BGADHN CC[C@H](C)[C@H](C)N(Cc1[nH]nc(C)c1C)C1CC1 ZINC000894004294 583272133 /nfs/dbraw/zinc/27/21/33/583272133.db2.gz MMCBENHYTDCPFY-GWCFXTLKSA-N 0 3 249.402 3.426 20 0 BGADHN CC[C@H](C)[C@@H](C)N(Cc1[nH]nc(C)c1C)C1CC1 ZINC000894004295 583272550 /nfs/dbraw/zinc/27/25/50/583272550.db2.gz MMCBENHYTDCPFY-GXFFZTMASA-N 0 3 249.402 3.426 20 0 BGADHN CC[C@@H](C)[C@H](C)N(Cc1[nH]nc(C)c1C)C1CC1 ZINC000894004296 583271910 /nfs/dbraw/zinc/27/19/10/583271910.db2.gz MMCBENHYTDCPFY-MFKMUULPSA-N 0 3 249.402 3.426 20 0 BGADHN CC[C@@H](C)[C@@H](C)N(Cc1[nH]nc(C)c1C)C1CC1 ZINC000894004297 583272747 /nfs/dbraw/zinc/27/27/47/583272747.db2.gz MMCBENHYTDCPFY-ZWNOBZJWSA-N 0 3 249.402 3.426 20 0 BGADHN CSc1ccc(CN2CCC(C)(C)C2)o1 ZINC000894018667 583273919 /nfs/dbraw/zinc/27/39/19/583273919.db2.gz AZRXEEPYSBHPQP-UHFFFAOYSA-N 0 3 225.357 3.233 20 0 BGADHN CCC1(CC)CCN(Cc2[nH]nc(C)c2C)C1 ZINC000894019119 583273207 /nfs/dbraw/zinc/27/32/07/583273207.db2.gz GOQXYKZVLOJTHJ-UHFFFAOYSA-N 0 3 235.375 3.039 20 0 BGADHN CCN(Cc1ccc(SC)o1)CC1CC1 ZINC000894019940 583273961 /nfs/dbraw/zinc/27/39/61/583273961.db2.gz GWRTVZQOCRXOKK-UHFFFAOYSA-N 0 3 225.357 3.233 20 0 BGADHN Cc1coc(CN2CC[C@@H](c3ccco3)C2)c1 ZINC000894022187 583274274 /nfs/dbraw/zinc/27/42/74/583274274.db2.gz URKIYPRBCIIWEO-GFCCVEGCSA-N 0 3 231.295 3.171 20 0 BGADHN Cc1coc(CN2CC[C@H](c3ccco3)C2)c1 ZINC000894022188 583274281 /nfs/dbraw/zinc/27/42/81/583274281.db2.gz URKIYPRBCIIWEO-LBPRGKRZSA-N 0 3 231.295 3.171 20 0 BGADHN Cc1n[nH]c(CN2CCCC[C@H]2C(C)C)c1C ZINC000894025957 583280129 /nfs/dbraw/zinc/28/01/29/583280129.db2.gz ATUCGNDBLZTBGC-AWEZNQCLSA-N 0 3 235.375 3.037 20 0 BGADHN Cc1n[nH]c(CN2CCCC[C@@H]2C(C)C)c1C ZINC000894025958 583281105 /nfs/dbraw/zinc/28/11/05/583281105.db2.gz ATUCGNDBLZTBGC-CQSZACIVSA-N 0 3 235.375 3.037 20 0 BGADHN Cc1ncoc1CN1CCC[C@@]2(CC=CCC2)C1 ZINC000894028611 583282021 /nfs/dbraw/zinc/28/20/21/583282021.db2.gz UIWSEHSBLYTWNJ-HNNXBMFYSA-N 0 3 246.354 3.305 20 0 BGADHN Cc1ncoc1CN1CCC[C@]2(CC=CCC2)C1 ZINC000894028612 583281384 /nfs/dbraw/zinc/28/13/84/583281384.db2.gz UIWSEHSBLYTWNJ-OAHLLOKOSA-N 0 3 246.354 3.305 20 0 BGADHN Cc1ncoc1CN1CCC[C@@H](C(C)C)CC1 ZINC000894029000 583282015 /nfs/dbraw/zinc/28/20/15/583282015.db2.gz XAOKATACZKHDOJ-CYBMUJFWSA-N 0 3 236.359 3.241 20 0 BGADHN Cc1ncoc1CN1CCC[C@H](C(C)C)CC1 ZINC000894029001 583281505 /nfs/dbraw/zinc/28/15/05/583281505.db2.gz XAOKATACZKHDOJ-ZDUSSCGKSA-N 0 3 236.359 3.241 20 0 BGADHN CSc1ccc(CN2CCC3(CCC3)C2)o1 ZINC000894030785 583277325 /nfs/dbraw/zinc/27/73/25/583277325.db2.gz KTLJJDKWYWHELA-UHFFFAOYSA-N 0 3 237.368 3.378 20 0 BGADHN CC1(C)CCN1Cc1cccc2c1NCCC2 ZINC000894033033 583277486 /nfs/dbraw/zinc/27/74/86/583277486.db2.gz XGJVISDWJFGTFO-UHFFFAOYSA-N 0 3 230.355 3.029 20 0 BGADHN CC[C@@]1(C)CCCN(Cc2n[nH]c(C)c2C)C1 ZINC000894033121 583276690 /nfs/dbraw/zinc/27/66/90/583276690.db2.gz ZXLNWLFGUQFMTJ-AWEZNQCLSA-N 0 3 235.375 3.039 20 0 BGADHN CC[C@@]1(C)CCCN(Cc2[nH]nc(C)c2C)C1 ZINC000894033121 583276688 /nfs/dbraw/zinc/27/66/88/583276688.db2.gz ZXLNWLFGUQFMTJ-AWEZNQCLSA-N 0 3 235.375 3.039 20 0 BGADHN CC[C@]1(C)CCCN(Cc2n[nH]c(C)c2C)C1 ZINC000894033123 583277477 /nfs/dbraw/zinc/27/74/77/583277477.db2.gz ZXLNWLFGUQFMTJ-CQSZACIVSA-N 0 3 235.375 3.039 20 0 BGADHN CC[C@]1(C)CCCN(Cc2[nH]nc(C)c2C)C1 ZINC000894033123 583277474 /nfs/dbraw/zinc/27/74/74/583277474.db2.gz ZXLNWLFGUQFMTJ-CQSZACIVSA-N 0 3 235.375 3.039 20 0 BGADHN CCOc1ccc(CN[C@@H]2CC23CCCC3)o1 ZINC000894033333 583277602 /nfs/dbraw/zinc/27/76/02/583277602.db2.gz DPWRVDGLPOGNSN-GFCCVEGCSA-N 0 3 235.327 3.101 20 0 BGADHN CCOc1ccc(CN[C@H]2CC23CCCC3)o1 ZINC000894033334 583276532 /nfs/dbraw/zinc/27/65/32/583276532.db2.gz DPWRVDGLPOGNSN-LBPRGKRZSA-N 0 3 235.327 3.101 20 0 BGADHN Cc1ncoc1CN(C)C1CCC(C)(C)CC1 ZINC000894033930 583278463 /nfs/dbraw/zinc/27/84/63/583278463.db2.gz JYVURVDKYBGYII-UHFFFAOYSA-N 0 3 236.359 3.384 20 0 BGADHN CC(C)c1c[nH]c(CN(CC2CC2)CC2CC2)n1 ZINC000894033955 583278727 /nfs/dbraw/zinc/27/87/27/583278727.db2.gz OFALSUJFIGVHHX-UHFFFAOYSA-N 0 3 247.386 3.155 20 0 BGADHN CSc1ccc(CN2C[C@H](C)[C@H](C)C2)o1 ZINC000894034134 583278964 /nfs/dbraw/zinc/27/89/64/583278964.db2.gz LMJAFVJHXBRYHJ-AOOOYVTPSA-N 0 3 225.357 3.089 20 0 BGADHN CSc1ccc(CN2C[C@@H](C)[C@H](C)C2)o1 ZINC000894034136 583278442 /nfs/dbraw/zinc/27/84/42/583278442.db2.gz LMJAFVJHXBRYHJ-NXEZZACHSA-N 0 3 225.357 3.089 20 0 BGADHN CSc1ccc(CN2C[C@H](C)[C@@H](C)C2)o1 ZINC000894034137 583278905 /nfs/dbraw/zinc/27/89/05/583278905.db2.gz LMJAFVJHXBRYHJ-UWVGGRQHSA-N 0 3 225.357 3.089 20 0 BGADHN CC1=CCN(Cc2cccc3c2NCCC3)CC1 ZINC000894034665 583278577 /nfs/dbraw/zinc/27/85/77/583278577.db2.gz UGSBESGMLWMJOR-UHFFFAOYSA-N 0 3 242.366 3.197 20 0 BGADHN CCC[C@@]1(C)CCCN(Cc2ocnc2C)C1 ZINC000894036465 583279484 /nfs/dbraw/zinc/27/94/84/583279484.db2.gz YISFARRVJJWBPU-AWEZNQCLSA-N 0 3 236.359 3.385 20 0 BGADHN CCC[C@]1(C)CCCN(Cc2ocnc2C)C1 ZINC000894036466 583279492 /nfs/dbraw/zinc/27/94/92/583279492.db2.gz YISFARRVJJWBPU-CQSZACIVSA-N 0 3 236.359 3.385 20 0 BGADHN CSCC[C@@H](C)N(C)Cc1cc(C)co1 ZINC000894038591 583282939 /nfs/dbraw/zinc/28/29/39/583282939.db2.gz DWHDHUHDHVGJAT-LLVKDONJSA-N 0 3 227.373 3.161 20 0 BGADHN CSCC[C@H](C)N(C)Cc1cc(C)co1 ZINC000894038592 583282745 /nfs/dbraw/zinc/28/27/45/583282745.db2.gz DWHDHUHDHVGJAT-NSHDSACASA-N 0 3 227.373 3.161 20 0 BGADHN COc1ccc(CN2CC3(CCC3)C[C@H]2C)o1 ZINC000894039723 583283594 /nfs/dbraw/zinc/28/35/94/583283594.db2.gz WBZLGLVFYOWYBZ-LLVKDONJSA-N 0 3 235.327 3.053 20 0 BGADHN COc1ccc(CN2CC3(CCC3)C[C@@H]2C)o1 ZINC000894039724 583283914 /nfs/dbraw/zinc/28/39/14/583283914.db2.gz WBZLGLVFYOWYBZ-NSHDSACASA-N 0 3 235.327 3.053 20 0 BGADHN Cc1cc(F)ncc1CN1CC2(CCC2)C[C@H]1C ZINC000894040055 583283979 /nfs/dbraw/zinc/28/39/79/583283979.db2.gz ZOLBOQPZUAHQQB-GFCCVEGCSA-N 0 3 248.345 3.294 20 0 BGADHN Cc1cc(F)ncc1CN1CC2(CCC2)C[C@@H]1C ZINC000894040056 583283622 /nfs/dbraw/zinc/28/36/22/583283622.db2.gz ZOLBOQPZUAHQQB-LBPRGKRZSA-N 0 3 248.345 3.294 20 0 BGADHN CCN(Cc1ccc(SC)o1)C1CCC1 ZINC000894040164 583283664 /nfs/dbraw/zinc/28/36/64/583283664.db2.gz QDCBSZJFLAAFSL-UHFFFAOYSA-N 0 3 225.357 3.376 20 0 BGADHN Cc1coc(CN(C(C)C)C2CCC2)c1 ZINC000894045795 583287292 /nfs/dbraw/zinc/28/72/92/583287292.db2.gz RVDGXIVNBOCNTH-UHFFFAOYSA-N 0 3 207.317 3.351 20 0 BGADHN CSc1ccc(CN2C[C@H](C)C[C@H]2C)o1 ZINC000894046331 583287570 /nfs/dbraw/zinc/28/75/70/583287570.db2.gz VZTXCWVWVOFTIJ-NXEZZACHSA-N 0 3 225.357 3.232 20 0 BGADHN CSc1ccc(CN2C[C@@H](C)C[C@@H]2C)o1 ZINC000894046332 583287754 /nfs/dbraw/zinc/28/77/54/583287754.db2.gz VZTXCWVWVOFTIJ-UWVGGRQHSA-N 0 3 225.357 3.232 20 0 BGADHN CSc1ccc(CN2C[C@@H](C)C[C@H]2C)o1 ZINC000894046333 583287928 /nfs/dbraw/zinc/28/79/28/583287928.db2.gz VZTXCWVWVOFTIJ-VHSXEESVSA-N 0 3 225.357 3.232 20 0 BGADHN CSc1ccc(CN2C[C@H](C)C[C@@H]2C)o1 ZINC000894046334 583287279 /nfs/dbraw/zinc/28/72/79/583287279.db2.gz VZTXCWVWVOFTIJ-ZJUUUORDSA-N 0 3 225.357 3.232 20 0 BGADHN CSc1ccc(CN2C[C@@H]3[C@H](C2)C3(C)C)o1 ZINC000894052638 583290268 /nfs/dbraw/zinc/29/02/68/583290268.db2.gz JWDDCEGNMJLYAR-PHIMTYICSA-N 0 3 237.368 3.089 20 0 BGADHN Cc1n[nH]c(CN2CCC3(C2)CCCCC3)c1C ZINC000894053537 583290194 /nfs/dbraw/zinc/29/01/94/583290194.db2.gz NATUYRMSULDFOR-UHFFFAOYSA-N 0 3 247.386 3.183 20 0 BGADHN Cc1ncoc1CN1CCC2(C1)CCCCC2 ZINC000894053712 583290000 /nfs/dbraw/zinc/29/00/00/583290000.db2.gz PBXCJSHDMKXOAC-UHFFFAOYSA-N 0 3 234.343 3.139 20 0 BGADHN Cc1n[nH]c(CN2CCCC(C)(C)CC2)c1C ZINC000894055369 583290678 /nfs/dbraw/zinc/29/06/78/583290678.db2.gz ZYMJSEZZZSZFTM-UHFFFAOYSA-N 0 3 235.375 3.039 20 0 BGADHN CC(C)N(Cc1nccn1C1CC1)CC1CCC1 ZINC000894057621 583290993 /nfs/dbraw/zinc/29/09/93/583290993.db2.gz IAWUBLCKJYNTDF-UHFFFAOYSA-N 0 3 247.386 3.229 20 0 BGADHN Cc1coc(CN(C)CCc2cccs2)c1 ZINC000894058927 583291880 /nfs/dbraw/zinc/29/18/80/583291880.db2.gz NKSXMIHVGGWLRY-UHFFFAOYSA-N 0 3 235.352 3.324 20 0 BGADHN Cc1ncoc1CN1CCC[C@H](CC(C)C)C1 ZINC000894061473 583292601 /nfs/dbraw/zinc/29/26/01/583292601.db2.gz CCKKVYXQBBDUPR-CYBMUJFWSA-N 0 3 236.359 3.241 20 0 BGADHN Cc1ncoc1CN1CCC[C@@H](CC(C)C)C1 ZINC000894061474 583292612 /nfs/dbraw/zinc/29/26/12/583292612.db2.gz CCKKVYXQBBDUPR-ZDUSSCGKSA-N 0 3 236.359 3.241 20 0 BGADHN Cc1ncoc1CN1CCC(C2CCCC2)CC1 ZINC000894063067 583292652 /nfs/dbraw/zinc/29/26/52/583292652.db2.gz HZLUHVULPQPGJF-UHFFFAOYSA-N 0 3 248.370 3.385 20 0 BGADHN CCC[C@@H]1CCCN(Cc2[nH]nc(C)c2C)C1 ZINC000894063940 583292716 /nfs/dbraw/zinc/29/27/16/583292716.db2.gz GPGZSJPTTRWAAF-CYBMUJFWSA-N 0 3 235.375 3.039 20 0 BGADHN CCC[C@H]1CCCN(Cc2[nH]nc(C)c2C)C1 ZINC000894063941 583292286 /nfs/dbraw/zinc/29/22/86/583292286.db2.gz GPGZSJPTTRWAAF-ZDUSSCGKSA-N 0 3 235.375 3.039 20 0 BGADHN CSc1ccc(CN2CC[C@@H](C3CC3)C2)o1 ZINC000894070523 583296500 /nfs/dbraw/zinc/29/65/00/583296500.db2.gz BSUFSRVENAFCNX-LLVKDONJSA-N 0 3 237.368 3.233 20 0 BGADHN CSc1ccc(CN2CC[C@H](C3CC3)C2)o1 ZINC000894070525 583296834 /nfs/dbraw/zinc/29/68/34/583296834.db2.gz BSUFSRVENAFCNX-NSHDSACASA-N 0 3 237.368 3.233 20 0 BGADHN CSc1ccc(CN2CC[C@@H](C)[C@H]2C)o1 ZINC000894083807 583295328 /nfs/dbraw/zinc/29/53/28/583295328.db2.gz GJSPXVJQYLNLAA-NXEZZACHSA-N 0 3 225.357 3.232 20 0 BGADHN CSc1ccc(CN2CC[C@H](C)[C@@H]2C)o1 ZINC000894083808 583295736 /nfs/dbraw/zinc/29/57/36/583295736.db2.gz GJSPXVJQYLNLAA-UWVGGRQHSA-N 0 3 225.357 3.232 20 0 BGADHN CSc1ccc(CN2CC[C@H](C)[C@H]2C)o1 ZINC000894083809 583295133 /nfs/dbraw/zinc/29/51/33/583295133.db2.gz GJSPXVJQYLNLAA-VHSXEESVSA-N 0 3 225.357 3.232 20 0 BGADHN CSc1ccc(CN2CC[C@@H](C)[C@@H]2C)o1 ZINC000894083810 583295011 /nfs/dbraw/zinc/29/50/11/583295011.db2.gz GJSPXVJQYLNLAA-ZJUUUORDSA-N 0 3 225.357 3.232 20 0 BGADHN Cc1coc(CN(C)[C@H](C)C2(C)CC2)c1 ZINC000894087592 583298751 /nfs/dbraw/zinc/29/87/51/583298751.db2.gz DPXYKLJKQTTWMD-LLVKDONJSA-N 0 3 207.317 3.208 20 0 BGADHN Cc1coc(CN(C)[C@@H](C)C2(C)CC2)c1 ZINC000894087593 583298354 /nfs/dbraw/zinc/29/83/54/583298354.db2.gz DPXYKLJKQTTWMD-NSHDSACASA-N 0 3 207.317 3.208 20 0 BGADHN CC[C@H]1CCN(Cc2ccc(SC)o2)C1 ZINC000894088165 583298730 /nfs/dbraw/zinc/29/87/30/583298730.db2.gz IMIWKGZEIIFODQ-JTQLQIEISA-N 0 3 225.357 3.233 20 0 BGADHN CC[C@@H]1CCN(Cc2ccc(SC)o2)C1 ZINC000894088166 583298782 /nfs/dbraw/zinc/29/87/82/583298782.db2.gz IMIWKGZEIIFODQ-SNVBAGLBSA-N 0 3 225.357 3.233 20 0 BGADHN Cc1[nH]nc(CN2CC=C(C(C)(C)C)CC2)c1C ZINC000894094081 583300058 /nfs/dbraw/zinc/30/00/58/583300058.db2.gz JHCFFSVNCWNPGB-UHFFFAOYSA-N 0 3 247.386 3.205 20 0 BGADHN Cc1ncoc1CN1CCC(CC(C)C)CC1 ZINC000894094121 583300150 /nfs/dbraw/zinc/30/01/50/583300150.db2.gz JJWXJAYVGCJYHA-UHFFFAOYSA-N 0 3 236.359 3.241 20 0 BGADHN CSc1ccc(CN(C)CCC2CC2)o1 ZINC000894094245 583299994 /nfs/dbraw/zinc/29/99/94/583299994.db2.gz KILWZGOKHZUTBJ-UHFFFAOYSA-N 0 3 225.357 3.233 20 0 BGADHN CSc1ccc(CN2[C@H](C)CC[C@@H]2C)o1 ZINC000894094926 583300545 /nfs/dbraw/zinc/30/05/45/583300545.db2.gz OTBQJLWXOSEYBG-AOOOYVTPSA-N 0 3 225.357 3.374 20 0 BGADHN CSc1ccc(CN2[C@H](C)CC[C@H]2C)o1 ZINC000894094927 583301019 /nfs/dbraw/zinc/30/10/19/583301019.db2.gz OTBQJLWXOSEYBG-NXEZZACHSA-N 0 3 225.357 3.374 20 0 BGADHN CSc1ccc(CN2[C@@H](C)CC[C@@H]2C)o1 ZINC000894094928 583300783 /nfs/dbraw/zinc/30/07/83/583300783.db2.gz OTBQJLWXOSEYBG-UWVGGRQHSA-N 0 3 225.357 3.374 20 0 BGADHN COc1ccc(CN(C)C2(C)CCCC2)o1 ZINC000894104454 583305947 /nfs/dbraw/zinc/30/59/47/583305947.db2.gz CECGDWXBTBYRDD-UHFFFAOYSA-N 0 3 223.316 3.053 20 0 BGADHN CN(Cc1ccnn1C1CCC1)C1(C)CCCC1 ZINC000894104601 583305942 /nfs/dbraw/zinc/30/59/42/583305942.db2.gz FVMKGDVUUCTABN-UHFFFAOYSA-N 0 3 247.386 3.373 20 0 BGADHN Cc1nn(C(C)C)c(C)c1CN1CC(C(C)C)C1 ZINC000894135351 583314415 /nfs/dbraw/zinc/31/44/15/583314415.db2.gz UQRKZCGPUSJHPV-UHFFFAOYSA-N 0 3 249.402 3.169 20 0 BGADHN CC[C@H](CNCc1ocnc1C)c1ccccc1 ZINC000894140797 583316859 /nfs/dbraw/zinc/31/68/59/583316859.db2.gz AKQLXSZUMVKRDQ-CYBMUJFWSA-N 0 3 244.338 3.266 20 0 BGADHN CC[C@@H](CNCc1ocnc1C)c1ccccc1 ZINC000894140801 583317330 /nfs/dbraw/zinc/31/73/30/583317330.db2.gz AKQLXSZUMVKRDQ-ZDUSSCGKSA-N 0 3 244.338 3.266 20 0 BGADHN Cc1ncoc1CNCCCC1CCCC1 ZINC000894141226 583316715 /nfs/dbraw/zinc/31/67/15/583316715.db2.gz RYBXJYNSKOBJLY-UHFFFAOYSA-N 0 3 222.332 3.043 20 0 BGADHN Cc1nn(C(C)C)c(C)c1CN1[C@H](C)C[C@H]1C ZINC000894141697 583316953 /nfs/dbraw/zinc/31/69/53/583316953.db2.gz YYZAMSLDUGEGEJ-GHMZBOCLSA-N 0 3 235.375 3.064 20 0 BGADHN Cc1nn(C(C)C)c(C)c1CN1[C@H](C)C[C@@H]1C ZINC000894141698 583316941 /nfs/dbraw/zinc/31/69/41/583316941.db2.gz YYZAMSLDUGEGEJ-PHIMTYICSA-N 0 3 235.375 3.064 20 0 BGADHN Cc1nn(C(C)C)c(C)c1CN1[C@@H](C)C[C@@H]1C ZINC000894141699 583317112 /nfs/dbraw/zinc/31/71/12/583317112.db2.gz YYZAMSLDUGEGEJ-QWRGUYRKSA-N 0 3 235.375 3.064 20 0 BGADHN CCCC[C@@H](CC)CNCc1ocnc1C ZINC000894145365 583318305 /nfs/dbraw/zinc/31/83/05/583318305.db2.gz BFUVIECDNBHLQL-GFCCVEGCSA-N 0 3 224.348 3.289 20 0 BGADHN CCCC[C@H](CC)CNCc1ocnc1C ZINC000894145366 583318337 /nfs/dbraw/zinc/31/83/37/583318337.db2.gz BFUVIECDNBHLQL-LBPRGKRZSA-N 0 3 224.348 3.289 20 0 BGADHN CC[C@@H](C)[NH2+]Cc1cc2c(cccc2[O-])s1 ZINC000894145434 583317906 /nfs/dbraw/zinc/31/79/06/583317906.db2.gz DPLADZLKMUJVPZ-SECBINFHSA-N 0 3 235.352 3.495 20 0 BGADHN CC[C@H](C)[NH2+]Cc1cc2c(cccc2[O-])s1 ZINC000894145435 583318036 /nfs/dbraw/zinc/31/80/36/583318036.db2.gz DPLADZLKMUJVPZ-VIFPVBQESA-N 0 3 235.352 3.495 20 0 BGADHN Cc1ncoc1CN[C@H](C)CCc1ccccc1 ZINC000894150218 583319065 /nfs/dbraw/zinc/31/90/65/583319065.db2.gz XAACQGDMMYFZRS-GFCCVEGCSA-N 0 3 244.338 3.094 20 0 BGADHN Cc1ncoc1CN[C@@H](C)CCc1ccccc1 ZINC000894150219 583319344 /nfs/dbraw/zinc/31/93/44/583319344.db2.gz XAACQGDMMYFZRS-LBPRGKRZSA-N 0 3 244.338 3.094 20 0 BGADHN Cc1ncoc1CN[C@H](C)CCCC(C)C ZINC000894150244 583319157 /nfs/dbraw/zinc/31/91/57/583319157.db2.gz XZXMQHADHRDRRK-LLVKDONJSA-N 0 3 224.348 3.287 20 0 BGADHN Cc1ncoc1CN[C@@H](C)CCCC(C)C ZINC000894150245 583319020 /nfs/dbraw/zinc/31/90/20/583319020.db2.gz XZXMQHADHRDRRK-NSHDSACASA-N 0 3 224.348 3.287 20 0 BGADHN Cc1ncoc1CN[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000894155650 583319955 /nfs/dbraw/zinc/31/99/55/583319955.db2.gz FSFPDTIRKFJURW-BFHYXJOUSA-N 0 3 248.370 3.432 20 0 BGADHN Cc1ncoc1CN[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000894155651 583320041 /nfs/dbraw/zinc/32/00/41/583320041.db2.gz FSFPDTIRKFJURW-HZSPNIEDSA-N 0 3 248.370 3.432 20 0 BGADHN Cc1ncoc1CN[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000894155652 583319688 /nfs/dbraw/zinc/31/96/88/583319688.db2.gz FSFPDTIRKFJURW-MELADBBJSA-N 0 3 248.370 3.432 20 0 BGADHN Cc1ncoc1CN[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000894155653 583320167 /nfs/dbraw/zinc/32/01/67/583320167.db2.gz FSFPDTIRKFJURW-MGPQQGTHSA-N 0 3 248.370 3.432 20 0 BGADHN CCCCC[C@H](C)NCc1ocnc1C ZINC000894156414 583320155 /nfs/dbraw/zinc/32/01/55/583320155.db2.gz LQPGWUOUDJVNQX-JTQLQIEISA-N 0 3 210.321 3.041 20 0 BGADHN CCCCC[C@@H](C)NCc1ocnc1C ZINC000894156415 583320013 /nfs/dbraw/zinc/32/00/13/583320013.db2.gz LQPGWUOUDJVNQX-SNVBAGLBSA-N 0 3 210.321 3.041 20 0 BGADHN CCCCCC[C@@H](C)NCc1ocnc1C ZINC000894157036 583320065 /nfs/dbraw/zinc/32/00/65/583320065.db2.gz RADVVLKMIDZLFX-LLVKDONJSA-N 0 3 224.348 3.432 20 0 BGADHN CCCCCC[C@H](C)NCc1ocnc1C ZINC000894157037 583319749 /nfs/dbraw/zinc/31/97/49/583319749.db2.gz RADVVLKMIDZLFX-NSHDSACASA-N 0 3 224.348 3.432 20 0 BGADHN CSCc1ccc(CN2CC(C)C2)cc1 ZINC000894158965 583321180 /nfs/dbraw/zinc/32/11/80/583321180.db2.gz RQQFVSIEFOWXHT-UHFFFAOYSA-N 0 3 221.369 3.001 20 0 BGADHN Cc1ncoc1CNCCCCc1ccccc1 ZINC000894162098 583320535 /nfs/dbraw/zinc/32/05/35/583320535.db2.gz XQJUNYGEICFABN-UHFFFAOYSA-N 0 3 244.338 3.096 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1NCc1ocnc1C ZINC000894165557 583322560 /nfs/dbraw/zinc/32/25/60/583322560.db2.gz NLLKHDJCMCIGPY-NEPJUHHUSA-N 0 3 222.332 3.041 20 0 BGADHN CC[C@H]1CCCC[C@H]1NCc1ocnc1C ZINC000894165560 583322505 /nfs/dbraw/zinc/32/25/05/583322505.db2.gz NLLKHDJCMCIGPY-NWDGAFQWSA-N 0 3 222.332 3.041 20 0 BGADHN CC[C@H]1CCCC[C@@H]1NCc1ocnc1C ZINC000894165561 583322543 /nfs/dbraw/zinc/32/25/43/583322543.db2.gz NLLKHDJCMCIGPY-RYUDHWBXSA-N 0 3 222.332 3.041 20 0 BGADHN CC[C@@H]1CCCC[C@H]1NCc1ocnc1C ZINC000894165562 583322989 /nfs/dbraw/zinc/32/29/89/583322989.db2.gz NLLKHDJCMCIGPY-VXGBXAGGSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1ncoc1CNC(C)(C)CC(C)(C)C ZINC000894166152 583323406 /nfs/dbraw/zinc/32/34/06/583323406.db2.gz RDBJYPVUSWEFGP-UHFFFAOYSA-N 0 3 224.348 3.287 20 0 BGADHN Cc1ncoc1CNCCC1CCCCC1 ZINC000894166319 583323926 /nfs/dbraw/zinc/32/39/26/583323926.db2.gz XCZKXSZDZSEEPG-UHFFFAOYSA-N 0 3 222.332 3.043 20 0 BGADHN Cc1ncoc1CNCCCC1CCCCC1 ZINC000894173974 635740210 /nfs/dbraw/zinc/74/02/10/635740210.db2.gz MTHVPUDNQSJRAU-UHFFFAOYSA-N 0 3 236.359 3.433 20 0 BGADHN CCc1onc(C)c1CNC[C@@H]1CC[C@H](C)C1 ZINC000894174586 583326860 /nfs/dbraw/zinc/32/68/60/583326860.db2.gz LTINTIJTHKXCAJ-CMPLNLGQSA-N 0 3 236.359 3.071 20 0 BGADHN CCc1onc(C)c1CNC[C@H]1CC[C@H](C)C1 ZINC000894174592 583326775 /nfs/dbraw/zinc/32/67/75/583326775.db2.gz LTINTIJTHKXCAJ-JQWIXIFHSA-N 0 3 236.359 3.071 20 0 BGADHN CCc1onc(C)c1CNC[C@H]1CC[C@@H](C)C1 ZINC000894174594 583326874 /nfs/dbraw/zinc/32/68/74/583326874.db2.gz LTINTIJTHKXCAJ-PWSUYJOCSA-N 0 3 236.359 3.071 20 0 BGADHN CCc1onc(C)c1CNC[C@@H]1CC[C@@H](C)C1 ZINC000894174595 583326321 /nfs/dbraw/zinc/32/63/21/583326321.db2.gz LTINTIJTHKXCAJ-ZYHUDNBSSA-N 0 3 236.359 3.071 20 0 BGADHN CCN(Cc1cnn(C2CCC2)c1)CC1CCC1 ZINC000894175373 583326851 /nfs/dbraw/zinc/32/68/51/583326851.db2.gz ALCJFLTWJMJBSQ-UHFFFAOYSA-N 0 3 247.386 3.230 20 0 BGADHN CCN(Cc1cnc(F)c(C)c1)CC1CCC1 ZINC000894175675 583326898 /nfs/dbraw/zinc/32/68/98/583326898.db2.gz DNDODXYLSJGGSC-UHFFFAOYSA-N 0 3 236.334 3.151 20 0 BGADHN CCN(Cc1ccnn1C1CCC1)CC1CCC1 ZINC000894176630 583327543 /nfs/dbraw/zinc/32/75/43/583327543.db2.gz OXWIEVFQQVABRR-UHFFFAOYSA-N 0 3 247.386 3.230 20 0 BGADHN CCN(Cc1cnc(F)cc1C)CC1CCC1 ZINC000894176837 583327162 /nfs/dbraw/zinc/32/71/62/583327162.db2.gz RLXLRWPZLIIJIG-UHFFFAOYSA-N 0 3 236.334 3.151 20 0 BGADHN CCn1cc(CN(C)[C@H]2CCC(C)(C)C2)c(C)n1 ZINC000894177314 583328666 /nfs/dbraw/zinc/32/86/66/583328666.db2.gz CDTGKJQKGCJKIH-AWEZNQCLSA-N 0 3 249.402 3.222 20 0 BGADHN CCn1cc(CN(C)[C@@H]2CCC(C)(C)C2)c(C)n1 ZINC000894177315 583328366 /nfs/dbraw/zinc/32/83/66/583328366.db2.gz CDTGKJQKGCJKIH-CQSZACIVSA-N 0 3 249.402 3.222 20 0 BGADHN Cc1ncoc1CN[C@H](C)Cc1ccccc1C ZINC000894192880 583333986 /nfs/dbraw/zinc/33/39/86/583333986.db2.gz IVNOZBYUOXULBW-GFCCVEGCSA-N 0 3 244.338 3.012 20 0 BGADHN Cc1ncoc1CN[C@@H](C)Cc1ccccc1C ZINC000894192881 583333714 /nfs/dbraw/zinc/33/37/14/583333714.db2.gz IVNOZBYUOXULBW-LBPRGKRZSA-N 0 3 244.338 3.012 20 0 BGADHN Cc1ncoc1CNCC1CCCCCCC1 ZINC000894197607 583335666 /nfs/dbraw/zinc/33/56/66/583335666.db2.gz YXUIPORNKGHWPW-UHFFFAOYSA-N 0 3 236.359 3.433 20 0 BGADHN Cc1ncoc1CNC[C@@H](C)C1CCCCC1 ZINC000894207295 583351138 /nfs/dbraw/zinc/35/11/38/583351138.db2.gz PXAJWHIWIVXBKS-LLVKDONJSA-N 0 3 236.359 3.289 20 0 BGADHN Cc1ncoc1CNC[C@H](C)C1CCCCC1 ZINC000894207296 583351181 /nfs/dbraw/zinc/35/11/81/583351181.db2.gz PXAJWHIWIVXBKS-NSHDSACASA-N 0 3 236.359 3.289 20 0 BGADHN Cc1ncoc1CNC[C@H](C)c1cccc(F)c1 ZINC000894210829 583375652 /nfs/dbraw/zinc/37/56/52/583375652.db2.gz KBYGUFOFHJFKSM-JTQLQIEISA-N 0 3 248.301 3.015 20 0 BGADHN Cc1ncoc1CNC[C@@H](C)c1cccc(F)c1 ZINC000894210832 583375675 /nfs/dbraw/zinc/37/56/75/583375675.db2.gz KBYGUFOFHJFKSM-SNVBAGLBSA-N 0 3 248.301 3.015 20 0 BGADHN CC[C@@H](NCc1ocnc1C)C1CCCCC1 ZINC000894212719 583376875 /nfs/dbraw/zinc/37/68/75/583376875.db2.gz HAXCMGKYRQLRDO-CYBMUJFWSA-N 0 3 236.359 3.432 20 0 BGADHN CC[C@H](NCc1ocnc1C)C1CCCCC1 ZINC000894212720 583376652 /nfs/dbraw/zinc/37/66/52/583376652.db2.gz HAXCMGKYRQLRDO-ZDUSSCGKSA-N 0 3 236.359 3.432 20 0 BGADHN CC1=CCCN(Cc2nccc3c2CCCC3)C1 ZINC000894219857 583381279 /nfs/dbraw/zinc/38/12/79/583381279.db2.gz FYJMMVMKCIWDPT-UHFFFAOYSA-N 0 3 242.366 3.112 20 0 BGADHN CC[C@@H](Cc1ccccc1)NCc1ocnc1C ZINC000894221870 583382834 /nfs/dbraw/zinc/38/28/34/583382834.db2.gz RFILITAEEMDPLQ-AWEZNQCLSA-N 0 3 244.338 3.094 20 0 BGADHN CC[C@H](Cc1ccccc1)NCc1ocnc1C ZINC000894221871 583382717 /nfs/dbraw/zinc/38/27/17/583382717.db2.gz RFILITAEEMDPLQ-CQSZACIVSA-N 0 3 244.338 3.094 20 0 BGADHN CCCC[C@@H]1CCC[C@H]1NCc1ocnc1C ZINC000894222575 583382953 /nfs/dbraw/zinc/38/29/53/583382953.db2.gz VKASZIFYYVAFJF-CHWSQXEVSA-N 0 3 236.359 3.432 20 0 BGADHN CCCC[C@@H]1CCC[C@@H]1NCc1ocnc1C ZINC000894222576 583382556 /nfs/dbraw/zinc/38/25/56/583382556.db2.gz VKASZIFYYVAFJF-OLZOCXBDSA-N 0 3 236.359 3.432 20 0 BGADHN CCCC[C@H]1CCC[C@H]1NCc1ocnc1C ZINC000894222577 583382814 /nfs/dbraw/zinc/38/28/14/583382814.db2.gz VKASZIFYYVAFJF-QWHCGFSZSA-N 0 3 236.359 3.432 20 0 BGADHN CCCC[C@H]1CCC[C@@H]1NCc1ocnc1C ZINC000894222579 583382562 /nfs/dbraw/zinc/38/25/62/583382562.db2.gz VKASZIFYYVAFJF-STQMWFEESA-N 0 3 236.359 3.432 20 0 BGADHN Cc1nn(C(C)C)c(C)c1CN1CCC=C(C)C1 ZINC000894224054 635756762 /nfs/dbraw/zinc/75/67/62/635756762.db2.gz YPGBEUJYRFOGBB-UHFFFAOYSA-N 0 3 247.386 3.233 20 0 BGADHN CCC[C@@H]1CCCC[C@H]1NCc1ocnc1C ZINC000894226479 583383798 /nfs/dbraw/zinc/38/37/98/583383798.db2.gz QDUNLVDNPUVBSA-CHWSQXEVSA-N 0 3 236.359 3.432 20 0 BGADHN CCC[C@@H]1CCCC[C@@H]1NCc1ocnc1C ZINC000894226480 583383646 /nfs/dbraw/zinc/38/36/46/583383646.db2.gz QDUNLVDNPUVBSA-OLZOCXBDSA-N 0 3 236.359 3.432 20 0 BGADHN CCC[C@H]1CCCC[C@H]1NCc1ocnc1C ZINC000894226481 583383641 /nfs/dbraw/zinc/38/36/41/583383641.db2.gz QDUNLVDNPUVBSA-QWHCGFSZSA-N 0 3 236.359 3.432 20 0 BGADHN CCC[C@H]1CCCC[C@@H]1NCc1ocnc1C ZINC000894226482 583383493 /nfs/dbraw/zinc/38/34/93/583383493.db2.gz QDUNLVDNPUVBSA-STQMWFEESA-N 0 3 236.359 3.432 20 0 BGADHN Cc1ncoc1CN[C@@H]1CCCC[C@@H]1C(C)C ZINC000894227041 583383689 /nfs/dbraw/zinc/38/36/89/583383689.db2.gz WONLGOHAVDBTLE-CHWSQXEVSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1ncoc1CN[C@H]1CCCC[C@@H]1C(C)C ZINC000894227042 583383541 /nfs/dbraw/zinc/38/35/41/583383541.db2.gz WONLGOHAVDBTLE-OLZOCXBDSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1ncoc1CN[C@@H]1CCCC[C@H]1C(C)C ZINC000894227043 583383385 /nfs/dbraw/zinc/38/33/85/583383385.db2.gz WONLGOHAVDBTLE-QWHCGFSZSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1ncoc1CN[C@H]1CCCC[C@H]1C(C)C ZINC000894227044 583383770 /nfs/dbraw/zinc/38/37/70/583383770.db2.gz WONLGOHAVDBTLE-STQMWFEESA-N 0 3 236.359 3.287 20 0 BGADHN Cc1ncoc1CNC1(C)CCC(C)CC1 ZINC000894229627 583384549 /nfs/dbraw/zinc/38/45/49/583384549.db2.gz VFJCZOORYUGPMJ-UHFFFAOYSA-N 0 3 222.332 3.041 20 0 BGADHN CCC1CCC(CNCc2ocnc2C)CC1 ZINC000894238937 583386778 /nfs/dbraw/zinc/38/67/78/583386778.db2.gz WPWMPNAWXRUXOF-UHFFFAOYSA-N 0 3 236.359 3.289 20 0 BGADHN CCc1onc(C)c1CNC[C@H]1CCC[C@@H]1C ZINC000894239822 583387105 /nfs/dbraw/zinc/38/71/05/583387105.db2.gz NUHJBGCBJOHEJB-CMPLNLGQSA-N 0 3 236.359 3.071 20 0 BGADHN CCc1onc(C)c1CNC[C@@H]1CCC[C@@H]1C ZINC000894239824 583386949 /nfs/dbraw/zinc/38/69/49/583386949.db2.gz NUHJBGCBJOHEJB-JQWIXIFHSA-N 0 3 236.359 3.071 20 0 BGADHN CCc1onc(C)c1CNC[C@@H]1CCC[C@H]1C ZINC000894239826 583386979 /nfs/dbraw/zinc/38/69/79/583386979.db2.gz NUHJBGCBJOHEJB-PWSUYJOCSA-N 0 3 236.359 3.071 20 0 BGADHN CCc1onc(C)c1CNC[C@H]1CCC[C@H]1C ZINC000894239828 583386988 /nfs/dbraw/zinc/38/69/88/583386988.db2.gz NUHJBGCBJOHEJB-ZYHUDNBSSA-N 0 3 236.359 3.071 20 0 BGADHN Cc1ncoc1CN[C@@H]1CCC[C@@H](C(C)C)C1 ZINC000894242150 583387814 /nfs/dbraw/zinc/38/78/14/583387814.db2.gz TXYDUZPWNCKNPU-CHWSQXEVSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1ncoc1CN[C@H]1CCC[C@@H](C(C)C)C1 ZINC000894242151 583387762 /nfs/dbraw/zinc/38/77/62/583387762.db2.gz TXYDUZPWNCKNPU-OLZOCXBDSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1ncoc1CN[C@@H]1CCC[C@H](C(C)C)C1 ZINC000894242152 583387776 /nfs/dbraw/zinc/38/77/76/583387776.db2.gz TXYDUZPWNCKNPU-QWHCGFSZSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1ncoc1CN[C@H]1CCC[C@H](C(C)C)C1 ZINC000894242153 583387790 /nfs/dbraw/zinc/38/77/90/583387790.db2.gz TXYDUZPWNCKNPU-STQMWFEESA-N 0 3 236.359 3.287 20 0 BGADHN Cc1ncoc1CNC1CC(c2ccccc2)C1 ZINC000894249286 583391240 /nfs/dbraw/zinc/39/12/40/583391240.db2.gz PTMUOXYVZOOARA-UHFFFAOYSA-N 0 3 242.322 3.019 20 0 BGADHN Cc1ncoc1CNCC[C@@H]1CCC[C@H](C)C1 ZINC000894255881 583394830 /nfs/dbraw/zinc/39/48/30/583394830.db2.gz KYFXPMGKDVPECG-AAEUAGOBSA-N 0 3 236.359 3.289 20 0 BGADHN Cc1ncoc1CNCC[C@H]1CCC[C@@H](C)C1 ZINC000894255882 583394591 /nfs/dbraw/zinc/39/45/91/583394591.db2.gz KYFXPMGKDVPECG-DGCLKSJQSA-N 0 3 236.359 3.289 20 0 BGADHN Cc1ncoc1CNCC[C@H]1CCC[C@H](C)C1 ZINC000894255883 583394846 /nfs/dbraw/zinc/39/48/46/583394846.db2.gz KYFXPMGKDVPECG-WCQYABFASA-N 0 3 236.359 3.289 20 0 BGADHN Cc1ncoc1CNCC[C@@H]1CCC[C@@H](C)C1 ZINC000894255884 583394901 /nfs/dbraw/zinc/39/49/01/583394901.db2.gz KYFXPMGKDVPECG-YPMHNXCESA-N 0 3 236.359 3.289 20 0 BGADHN Cc1ncoc1CNCC[C@@H]1CCCC[C@@H]1C ZINC000894259923 583398542 /nfs/dbraw/zinc/39/85/42/583398542.db2.gz IWHZPHVBOGFHGL-AAEUAGOBSA-N 0 3 236.359 3.289 20 0 BGADHN Cc1ncoc1CNCC[C@H]1CCCC[C@H]1C ZINC000894259924 583398573 /nfs/dbraw/zinc/39/85/73/583398573.db2.gz IWHZPHVBOGFHGL-DGCLKSJQSA-N 0 3 236.359 3.289 20 0 BGADHN Cc1ncoc1CNCC[C@H]1CCCC[C@@H]1C ZINC000894259925 583398581 /nfs/dbraw/zinc/39/85/81/583398581.db2.gz IWHZPHVBOGFHGL-WCQYABFASA-N 0 3 236.359 3.289 20 0 BGADHN Cc1ncoc1CNCC[C@@H]1CCCC[C@H]1C ZINC000894259926 583398528 /nfs/dbraw/zinc/39/85/28/583398528.db2.gz IWHZPHVBOGFHGL-YPMHNXCESA-N 0 3 236.359 3.289 20 0 BGADHN C[C@H](CCC1CCCCC1)NCc1c[nH]cn1 ZINC000894264014 583400924 /nfs/dbraw/zinc/40/09/24/583400924.db2.gz CUGCLDBVYNZCQY-GFCCVEGCSA-N 0 3 235.375 3.248 20 0 BGADHN C[C@@H](CCC1CCCCC1)NCc1c[nH]cn1 ZINC000894264015 583400948 /nfs/dbraw/zinc/40/09/48/583400948.db2.gz CUGCLDBVYNZCQY-LBPRGKRZSA-N 0 3 235.375 3.248 20 0 BGADHN Cc1ncoc1CN[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000894264524 583401252 /nfs/dbraw/zinc/40/12/52/583401252.db2.gz HKCZPYDTSXNIIT-FRRDWIJNSA-N 0 3 234.343 3.041 20 0 BGADHN Cc1ncoc1CN[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000894264525 583401220 /nfs/dbraw/zinc/40/12/20/583401220.db2.gz HKCZPYDTSXNIIT-JHJVBQTASA-N 0 3 234.343 3.041 20 0 BGADHN Cc1ncoc1CN[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000894264526 583401302 /nfs/dbraw/zinc/40/13/02/583401302.db2.gz HKCZPYDTSXNIIT-RWMBFGLXSA-N 0 3 234.343 3.041 20 0 BGADHN Cc1ncoc1CN[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000894264527 583401279 /nfs/dbraw/zinc/40/12/79/583401279.db2.gz HKCZPYDTSXNIIT-YNEHKIRRSA-N 0 3 234.343 3.041 20 0 BGADHN CSC[C@@H](C)NCc1nccc2ccccc21 ZINC000894283925 583409940 /nfs/dbraw/zinc/40/99/40/583409940.db2.gz LGGUFZMTHHHKOG-LLVKDONJSA-N 0 3 246.379 3.076 20 0 BGADHN CSC[C@H](C)NCc1nccc2ccccc21 ZINC000894283930 583409857 /nfs/dbraw/zinc/40/98/57/583409857.db2.gz LGGUFZMTHHHKOG-NSHDSACASA-N 0 3 246.379 3.076 20 0 BGADHN Cc1ncoc1CNC[C@@H](C)c1ccc(C)cc1 ZINC000894284568 583410329 /nfs/dbraw/zinc/41/03/29/583410329.db2.gz QYLKUSUAKXZOCW-GFCCVEGCSA-N 0 3 244.338 3.185 20 0 BGADHN Cc1ncoc1CNC[C@H](C)c1ccc(C)cc1 ZINC000894284569 583410309 /nfs/dbraw/zinc/41/03/09/583410309.db2.gz QYLKUSUAKXZOCW-LBPRGKRZSA-N 0 3 244.338 3.185 20 0 BGADHN Cc1ncoc1CN[C@@H](C)CCC(C)(C)C ZINC000894284588 583410271 /nfs/dbraw/zinc/41/02/71/583410271.db2.gz RFPHELGVLAWPEZ-JTQLQIEISA-N 0 3 224.348 3.287 20 0 BGADHN Cc1ncoc1CN[C@H](C)CCC(C)(C)C ZINC000894284589 583410283 /nfs/dbraw/zinc/41/02/83/583410283.db2.gz RFPHELGVLAWPEZ-SNVBAGLBSA-N 0 3 224.348 3.287 20 0 BGADHN Cc1ncoc1CNC1CCC(C)(C)CC1 ZINC000894288136 583411668 /nfs/dbraw/zinc/41/16/68/583411668.db2.gz OWBFAOLBRPKUHC-UHFFFAOYSA-N 0 3 222.332 3.041 20 0 BGADHN CC[C@@H]1CCC[C@H](NCc2ocnc2C)C1 ZINC000894290123 583412564 /nfs/dbraw/zinc/41/25/64/583412564.db2.gz ZPSYLTPEDOZYBF-NEPJUHHUSA-N 0 3 222.332 3.041 20 0 BGADHN CC[C@H]1CCC[C@@H](NCc2ocnc2C)C1 ZINC000894290127 583412551 /nfs/dbraw/zinc/41/25/51/583412551.db2.gz ZPSYLTPEDOZYBF-NWDGAFQWSA-N 0 3 222.332 3.041 20 0 BGADHN CC[C@H]1CCC[C@H](NCc2ocnc2C)C1 ZINC000894290129 583412559 /nfs/dbraw/zinc/41/25/59/583412559.db2.gz ZPSYLTPEDOZYBF-RYUDHWBXSA-N 0 3 222.332 3.041 20 0 BGADHN CC[C@@H]1CCC[C@@H](NCc2ocnc2C)C1 ZINC000894290131 583412574 /nfs/dbraw/zinc/41/25/74/583412574.db2.gz ZPSYLTPEDOZYBF-VXGBXAGGSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1ncoc1CNCCCCC1CCCC1 ZINC000894300611 583414806 /nfs/dbraw/zinc/41/48/06/583414806.db2.gz VWOTVRTZNNIELD-UHFFFAOYSA-N 0 3 236.359 3.433 20 0 BGADHN Cc1ncoc1CNC[C@@H](C)c1cccc(C)c1 ZINC000894304992 583416635 /nfs/dbraw/zinc/41/66/35/583416635.db2.gz SWXZMXZRXKAVME-GFCCVEGCSA-N 0 3 244.338 3.185 20 0 BGADHN Cc1ncoc1CNC[C@H](C)c1cccc(C)c1 ZINC000894304993 583416645 /nfs/dbraw/zinc/41/66/45/583416645.db2.gz SWXZMXZRXKAVME-LBPRGKRZSA-N 0 3 244.338 3.185 20 0 BGADHN C[C@H]1CCCC[C@H]1N(C)Cc1nccn1C1CC1 ZINC000894318441 583421127 /nfs/dbraw/zinc/42/11/27/583421127.db2.gz XIJIYVVADYJCQS-GXTWGEPZSA-N 0 3 247.386 3.229 20 0 BGADHN C[C@H]1CCCC[C@@H]1N(C)Cc1nccn1C1CC1 ZINC000894318450 583421035 /nfs/dbraw/zinc/42/10/35/583421035.db2.gz XIJIYVVADYJCQS-JSGCOSHPSA-N 0 3 247.386 3.229 20 0 BGADHN C[C@@H]1CCCC[C@@H]1N(C)Cc1nccn1C1CC1 ZINC000894318454 583420925 /nfs/dbraw/zinc/42/09/25/583420925.db2.gz XIJIYVVADYJCQS-OCCSQVGLSA-N 0 3 247.386 3.229 20 0 BGADHN C[C@@H]1CCCC[C@H]1N(C)Cc1nccn1C1CC1 ZINC000894318456 583421005 /nfs/dbraw/zinc/42/10/05/583421005.db2.gz XIJIYVVADYJCQS-TZMCWYRMSA-N 0 3 247.386 3.229 20 0 BGADHN CC1CC([NH2+]Cc2cc3c(cccc3[O-])s2)C1 ZINC000894322710 583422129 /nfs/dbraw/zinc/42/21/29/583422129.db2.gz CGIWQZMARNMMMB-UHFFFAOYSA-N 0 3 247.363 3.495 20 0 BGADHN c1ccc2c(c1)ccnc2CNC1(C2CC2)CC1 ZINC000894326572 583423696 /nfs/dbraw/zinc/42/36/96/583423696.db2.gz PIKHRFNNJHNLDJ-UHFFFAOYSA-N 0 3 238.334 3.267 20 0 BGADHN Cc1ncoc1CN[C@@H]1CCC(C)(C)C[C@@H]1C ZINC000894327037 583423751 /nfs/dbraw/zinc/42/37/51/583423751.db2.gz SIWOMPFLRKYEEN-CMPLNLGQSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1ncoc1CN[C@H]1CCC(C)(C)C[C@@H]1C ZINC000894327038 583423564 /nfs/dbraw/zinc/42/35/64/583423564.db2.gz SIWOMPFLRKYEEN-JQWIXIFHSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1ncoc1CN[C@H]1CCC(C)(C)C[C@H]1C ZINC000894327039 583423361 /nfs/dbraw/zinc/42/33/61/583423361.db2.gz SIWOMPFLRKYEEN-PWSUYJOCSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1ncoc1CN[C@@H]1CCC(C)(C)C[C@H]1C ZINC000894327041 583423340 /nfs/dbraw/zinc/42/33/40/583423340.db2.gz SIWOMPFLRKYEEN-ZYHUDNBSSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1ncoc1CNCC(C)(C)CC(C)C ZINC000894327177 583423522 /nfs/dbraw/zinc/42/35/22/583423522.db2.gz UFINFCWGYHHDQE-UHFFFAOYSA-N 0 3 224.348 3.145 20 0 BGADHN CCC1(CNCc2ocnc2C)CCCC1 ZINC000894328260 583424309 /nfs/dbraw/zinc/42/43/09/583424309.db2.gz AKKQBEOLIHYAQL-UHFFFAOYSA-N 0 3 222.332 3.043 20 0 BGADHN CCCC[C@@H](CCC)NCc1ocnc1C ZINC000894328460 583424155 /nfs/dbraw/zinc/42/41/55/583424155.db2.gz ZBQCQYAMTPTSQH-GFCCVEGCSA-N 0 3 224.348 3.432 20 0 BGADHN CCCC[C@H](CCC)NCc1ocnc1C ZINC000894328463 583424329 /nfs/dbraw/zinc/42/43/29/583424329.db2.gz ZBQCQYAMTPTSQH-LBPRGKRZSA-N 0 3 224.348 3.432 20 0 BGADHN CCCC1(CNCc2ocnc2C)CCC1 ZINC000894333455 583425816 /nfs/dbraw/zinc/42/58/16/583425816.db2.gz XHEYXBYNFYXCJN-UHFFFAOYSA-N 0 3 222.332 3.043 20 0 BGADHN Cc1ncoc1CNCC1(CC(C)C)CCC1 ZINC000894333697 583426028 /nfs/dbraw/zinc/42/60/28/583426028.db2.gz YTWAYAGJZBUIIB-UHFFFAOYSA-N 0 3 236.359 3.289 20 0 BGADHN [O-]c1cccc2sc(C[NH2+]CCCF)cc21 ZINC000894336135 583426613 /nfs/dbraw/zinc/42/66/13/583426613.db2.gz FCOXIGZJGBXUFS-UHFFFAOYSA-N 0 3 239.315 3.056 20 0 BGADHN CCC(CC)(CC)CNCc1ocnc1C ZINC000894338959 583427373 /nfs/dbraw/zinc/42/73/73/583427373.db2.gz ONDMJGVXVFGZHT-UHFFFAOYSA-N 0 3 224.348 3.289 20 0 BGADHN [O-]c1cccc2sc(C[NH2+]C3CC=CC3)cc21 ZINC000894342274 583429488 /nfs/dbraw/zinc/42/94/88/583429488.db2.gz LBKOZXYDTCRHFH-UHFFFAOYSA-N 0 3 245.347 3.415 20 0 BGADHN Cc1ncoc1CNCC1(C)CCCCC1 ZINC000894345064 583430180 /nfs/dbraw/zinc/43/01/80/583430180.db2.gz YNWLLCLVMPXBLY-UHFFFAOYSA-N 0 3 222.332 3.043 20 0 BGADHN Cc1ncoc1CN[C@@H]1CCCCC1(C)C ZINC000894346464 583431277 /nfs/dbraw/zinc/43/12/77/583431277.db2.gz UENBKWZLGSKUDG-GFCCVEGCSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1ncoc1CN[C@H]1CCCCC1(C)C ZINC000894346465 583431274 /nfs/dbraw/zinc/43/12/74/583431274.db2.gz UENBKWZLGSKUDG-LBPRGKRZSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1ncoc1CNCC(C)(C)C1CCCC1 ZINC000894360173 583437090 /nfs/dbraw/zinc/43/70/90/583437090.db2.gz XIIQDFXVJXIFFI-UHFFFAOYSA-N 0 3 236.359 3.289 20 0 BGADHN Cc1ncoc1CNCC1CCC(C)(C)CC1 ZINC000894367468 583438520 /nfs/dbraw/zinc/43/85/20/583438520.db2.gz SBQWXIXGVOIEJM-UHFFFAOYSA-N 0 3 236.359 3.289 20 0 BGADHN CC(C)(C)[NH2+]Cc1cc2c(cccc2[O-])s1 ZINC000894385876 583443281 /nfs/dbraw/zinc/44/32/81/583443281.db2.gz WSNCCGKJJZMIMF-UHFFFAOYSA-N 0 3 235.352 3.495 20 0 BGADHN Cc1ncoc1CN[C@@H]1C[C@@H]1C1CCCCC1 ZINC000894394676 583447949 /nfs/dbraw/zinc/44/79/49/583447949.db2.gz ZUXDAYJENIMANO-CHWSQXEVSA-N 0 3 234.343 3.041 20 0 BGADHN Cc1ncoc1CN[C@H]1C[C@@H]1C1CCCCC1 ZINC000894394677 583447439 /nfs/dbraw/zinc/44/74/39/583447439.db2.gz ZUXDAYJENIMANO-OLZOCXBDSA-N 0 3 234.343 3.041 20 0 BGADHN Cc1ncoc1CN[C@@H]1C[C@H]1C1CCCCC1 ZINC000894394679 583447837 /nfs/dbraw/zinc/44/78/37/583447837.db2.gz ZUXDAYJENIMANO-QWHCGFSZSA-N 0 3 234.343 3.041 20 0 BGADHN Cc1ncoc1CN[C@H]1C[C@H]1C1CCCCC1 ZINC000894394680 583447959 /nfs/dbraw/zinc/44/79/59/583447959.db2.gz ZUXDAYJENIMANO-STQMWFEESA-N 0 3 234.343 3.041 20 0 BGADHN Nc1cc(NC2CC3(CCC3)C2)c(Cl)cn1 ZINC000894408141 635892675 /nfs/dbraw/zinc/89/26/75/635892675.db2.gz ZKMXUJMRBJBJMM-UHFFFAOYSA-N 0 3 237.734 3.062 20 0 BGADHN Cc1cc(F)ncc1CN1CCC2(CCC2)CC1 ZINC000894421498 583455478 /nfs/dbraw/zinc/45/54/78/583455478.db2.gz DKEAMLOKAICVMV-UHFFFAOYSA-N 0 3 248.345 3.295 20 0 BGADHN Cc1cc(CN2CCC3(CCC3)CC2)cnc1F ZINC000894423966 583455782 /nfs/dbraw/zinc/45/57/82/583455782.db2.gz UYDAPKGCEAKFRX-UHFFFAOYSA-N 0 3 248.345 3.295 20 0 BGADHN COc1ccc(CN2CCC3(CCC3)CC2)o1 ZINC000894423972 583455800 /nfs/dbraw/zinc/45/58/00/583455800.db2.gz UZSJTNHCSIPPBB-UHFFFAOYSA-N 0 3 235.327 3.054 20 0 BGADHN Oc1cccc2sc(CN3CC=CCC3)cc21 ZINC000894424667 583455453 /nfs/dbraw/zinc/45/54/53/583455453.db2.gz YPGWNLHBBGXZOO-UHFFFAOYSA-N 0 3 245.347 3.369 20 0 BGADHN Cc1[nH]nc(CN2CC[C@@H](C)C3(CCC3)C2)c1C ZINC000894428084 583457001 /nfs/dbraw/zinc/45/70/01/583457001.db2.gz ZHNHOFFUQXKEID-LLVKDONJSA-N 0 3 247.386 3.039 20 0 BGADHN Cc1n[nH]c(CN2CC[C@@H](C)C3(CCC3)C2)c1C ZINC000894428084 583456998 /nfs/dbraw/zinc/45/69/98/583456998.db2.gz ZHNHOFFUQXKEID-LLVKDONJSA-N 0 3 247.386 3.039 20 0 BGADHN Cc1[nH]nc(CN2CC[C@H](C)C3(CCC3)C2)c1C ZINC000894428085 583457197 /nfs/dbraw/zinc/45/71/97/583457197.db2.gz ZHNHOFFUQXKEID-NSHDSACASA-N 0 3 247.386 3.039 20 0 BGADHN Cc1n[nH]c(CN2CC[C@H](C)C3(CCC3)C2)c1C ZINC000894428085 583457194 /nfs/dbraw/zinc/45/71/94/583457194.db2.gz ZHNHOFFUQXKEID-NSHDSACASA-N 0 3 247.386 3.039 20 0 BGADHN Cc1n[nH]c(CN2CC[C@]3(CC[C@@H](C)C3)C2)c1C ZINC000894438514 583459943 /nfs/dbraw/zinc/45/99/43/583459943.db2.gz GKGSNUXMRDDZQV-ABAIWWIYSA-N 0 3 247.386 3.039 20 0 BGADHN Cc1n[nH]c(CN2CC[C@@]3(CC[C@@H](C)C3)C2)c1C ZINC000894438516 583460364 /nfs/dbraw/zinc/46/03/64/583460364.db2.gz GKGSNUXMRDDZQV-IAQYHMDHSA-N 0 3 247.386 3.039 20 0 BGADHN Cc1n[nH]c(CN2CC[C@]3(CC[C@H](C)C3)C2)c1C ZINC000894438517 583460183 /nfs/dbraw/zinc/46/01/83/583460183.db2.gz GKGSNUXMRDDZQV-NHYWBVRUSA-N 0 3 247.386 3.039 20 0 BGADHN Cc1n[nH]c(CN2CC[C@@]3(CC[C@H](C)C3)C2)c1C ZINC000894438519 583459638 /nfs/dbraw/zinc/45/96/38/583459638.db2.gz GKGSNUXMRDDZQV-XHDPSFHLSA-N 0 3 247.386 3.039 20 0 BGADHN Cc1ncoc1CNC1(C)CCC(F)(F)CC1 ZINC000894444382 583461007 /nfs/dbraw/zinc/46/10/07/583461007.db2.gz IKHOSFIRPXDFNG-UHFFFAOYSA-N 0 3 244.285 3.041 20 0 BGADHN CCC[C@@H]1CCCCN1Cc1[nH]nc(C)c1C ZINC000894460749 583467231 /nfs/dbraw/zinc/46/72/31/583467231.db2.gz ANHSBSQIVDGNIG-CYBMUJFWSA-N 0 3 235.375 3.181 20 0 BGADHN CCC[C@H]1CCCCN1Cc1[nH]nc(C)c1C ZINC000894460750 583467069 /nfs/dbraw/zinc/46/70/69/583467069.db2.gz ANHSBSQIVDGNIG-ZDUSSCGKSA-N 0 3 235.375 3.181 20 0 BGADHN CCC[C@@H]1CCCCN1Cc1ocnc1C ZINC000894460849 583467471 /nfs/dbraw/zinc/46/74/71/583467471.db2.gz FYRTVUYKDHGOPE-GFCCVEGCSA-N 0 3 222.332 3.138 20 0 BGADHN CCC[C@H]1CCCCN1Cc1ocnc1C ZINC000894460850 583466635 /nfs/dbraw/zinc/46/66/35/583466635.db2.gz FYRTVUYKDHGOPE-LBPRGKRZSA-N 0 3 222.332 3.138 20 0 BGADHN CCC1(CNCc2ocnc2C)CCCCC1 ZINC000894469355 583467729 /nfs/dbraw/zinc/46/77/29/583467729.db2.gz MCZLXMWMYRMCFD-UHFFFAOYSA-N 0 3 236.359 3.433 20 0 BGADHN Cc1ncoc1CNCCC1=CCCCCC1 ZINC000894472237 583468290 /nfs/dbraw/zinc/46/82/90/583468290.db2.gz ZNKFKMQTDAFQIY-UHFFFAOYSA-N 0 3 234.343 3.353 20 0 BGADHN Cc1ncoc1CN1CC(C)(C)CC(C)(C)C1 ZINC000894476052 583469709 /nfs/dbraw/zinc/46/97/09/583469709.db2.gz UTGJHNAKOHWGHR-UHFFFAOYSA-N 0 3 236.359 3.241 20 0 BGADHN CC(C)(CNCc1c[nH]cn1)C1=CCCCC1 ZINC000894488517 583470984 /nfs/dbraw/zinc/47/09/84/583470984.db2.gz YRKSNZQTFWPXFB-UHFFFAOYSA-N 0 3 233.359 3.026 20 0 BGADHN Cc1ncoc1CN1CCC(C)(C(C)C)CC1 ZINC000894495109 583473978 /nfs/dbraw/zinc/47/39/78/583473978.db2.gz QPCHHRSTFILSKT-UHFFFAOYSA-N 0 3 236.359 3.241 20 0 BGADHN CC[C@@H]1CC[C@@H](C)N1Cc1ccnn1C1CCC1 ZINC000894498667 583472871 /nfs/dbraw/zinc/47/28/71/583472871.db2.gz KWFKIOBXCZGSBG-CHWSQXEVSA-N 0 3 247.386 3.371 20 0 BGADHN CC[C@H]1CC[C@@H](C)N1Cc1ccnn1C1CCC1 ZINC000894498668 583473123 /nfs/dbraw/zinc/47/31/23/583473123.db2.gz KWFKIOBXCZGSBG-OLZOCXBDSA-N 0 3 247.386 3.371 20 0 BGADHN CC[C@@H]1CC[C@H](C)N1Cc1ccnn1C1CCC1 ZINC000894498669 583472592 /nfs/dbraw/zinc/47/25/92/583472592.db2.gz KWFKIOBXCZGSBG-QWHCGFSZSA-N 0 3 247.386 3.371 20 0 BGADHN CC[C@H]1CC[C@H](C)N1Cc1ccnn1C1CCC1 ZINC000894498670 583473199 /nfs/dbraw/zinc/47/31/99/583473199.db2.gz KWFKIOBXCZGSBG-STQMWFEESA-N 0 3 247.386 3.371 20 0 BGADHN CC[C@@H]1CC[C@@H](C)N1Cc1ccc(OC)o1 ZINC000894499655 583474800 /nfs/dbraw/zinc/47/48/00/583474800.db2.gz RGCACLRGZRRONJ-GHMZBOCLSA-N 0 3 223.316 3.051 20 0 BGADHN CC[C@H]1CC[C@@H](C)N1Cc1ccc(OC)o1 ZINC000894499657 583474410 /nfs/dbraw/zinc/47/44/10/583474410.db2.gz RGCACLRGZRRONJ-MNOVXSKESA-N 0 3 223.316 3.051 20 0 BGADHN CC[C@H]1CC[C@H](C)N1Cc1ccc(OC)o1 ZINC000894499658 583474669 /nfs/dbraw/zinc/47/46/69/583474669.db2.gz RGCACLRGZRRONJ-QWRGUYRKSA-N 0 3 223.316 3.051 20 0 BGADHN CC[C@@H]1CC[C@H](C)N1Cc1ccc(OC)o1 ZINC000894499660 583474585 /nfs/dbraw/zinc/47/45/85/583474585.db2.gz RGCACLRGZRRONJ-WDEREUQCSA-N 0 3 223.316 3.051 20 0 BGADHN CC[C@@H]1CC[C@H](C)N1Cc1cnn(C2CCC2)c1 ZINC000894500242 583474522 /nfs/dbraw/zinc/47/45/22/583474522.db2.gz UANWBIHUZSTTEF-GXTWGEPZSA-N 0 3 247.386 3.371 20 0 BGADHN CC[C@H]1CC[C@H](C)N1Cc1cnn(C2CCC2)c1 ZINC000894500243 583474735 /nfs/dbraw/zinc/47/47/35/583474735.db2.gz UANWBIHUZSTTEF-JSGCOSHPSA-N 0 3 247.386 3.371 20 0 BGADHN CC[C@H]1CC[C@@H](C)N1Cc1cnn(C2CCC2)c1 ZINC000894500244 583475015 /nfs/dbraw/zinc/47/50/15/583475015.db2.gz UANWBIHUZSTTEF-OCCSQVGLSA-N 0 3 247.386 3.371 20 0 BGADHN CC[C@@H]1CC[C@@H](C)N1Cc1cnn(C2CCC2)c1 ZINC000894500245 583474790 /nfs/dbraw/zinc/47/47/90/583474790.db2.gz UANWBIHUZSTTEF-TZMCWYRMSA-N 0 3 247.386 3.371 20 0 BGADHN CC[C@H]1CC[C@H](C)N1Cc1cnc(F)cc1C ZINC000894500800 583474872 /nfs/dbraw/zinc/47/48/72/583474872.db2.gz WONWSNUSMNIIAY-AAEUAGOBSA-N 0 3 236.334 3.292 20 0 BGADHN CC[C@@H]1CC[C@@H](C)N1Cc1cnc(F)cc1C ZINC000894500801 583474665 /nfs/dbraw/zinc/47/46/65/583474665.db2.gz WONWSNUSMNIIAY-DGCLKSJQSA-N 0 3 236.334 3.292 20 0 BGADHN CC[C@@H]1CC[C@H](C)N1Cc1cnc(F)cc1C ZINC000894500802 583474968 /nfs/dbraw/zinc/47/49/68/583474968.db2.gz WONWSNUSMNIIAY-WCQYABFASA-N 0 3 236.334 3.292 20 0 BGADHN CC[C@H]1CC[C@@H](C)N1Cc1cnc(F)cc1C ZINC000894500803 583474849 /nfs/dbraw/zinc/47/48/49/583474849.db2.gz WONWSNUSMNIIAY-YPMHNXCESA-N 0 3 236.334 3.292 20 0 BGADHN CC[C@H]1CC[C@H](C)N1Cc1cnc(F)c(C)c1 ZINC000894500987 583474974 /nfs/dbraw/zinc/47/49/74/583474974.db2.gz XZCNCZPCLBXLGC-AAEUAGOBSA-N 0 3 236.334 3.292 20 0 BGADHN CC[C@@H]1CC[C@@H](C)N1Cc1cnc(F)c(C)c1 ZINC000894500988 583474927 /nfs/dbraw/zinc/47/49/27/583474927.db2.gz XZCNCZPCLBXLGC-DGCLKSJQSA-N 0 3 236.334 3.292 20 0 BGADHN CC[C@@H]1CC[C@H](C)N1Cc1cnc(F)c(C)c1 ZINC000894500989 583474691 /nfs/dbraw/zinc/47/46/91/583474691.db2.gz XZCNCZPCLBXLGC-WCQYABFASA-N 0 3 236.334 3.292 20 0 BGADHN CC[C@H]1CC[C@@H](C)N1Cc1cnc(F)c(C)c1 ZINC000894500990 583474372 /nfs/dbraw/zinc/47/43/72/583474372.db2.gz XZCNCZPCLBXLGC-YPMHNXCESA-N 0 3 236.334 3.292 20 0 BGADHN CCOc1ccc(CNCCC2(F)CCC2)o1 ZINC000894505407 583474376 /nfs/dbraw/zinc/47/43/76/583474376.db2.gz AYMDUMXXFYCULE-UHFFFAOYSA-N 0 3 241.306 3.050 20 0 BGADHN Cc1cc(CN2CCC[C@H](C3CC3)C2)cnc1F ZINC000894521372 635903217 /nfs/dbraw/zinc/90/32/17/635903217.db2.gz OKBQXQAPSTUHNA-AWEZNQCLSA-N 0 3 248.345 3.151 20 0 BGADHN Cc1cc(CN2CCC[C@@H](C3CC3)C2)cnc1F ZINC000894521373 635904033 /nfs/dbraw/zinc/90/40/33/635904033.db2.gz OKBQXQAPSTUHNA-CQSZACIVSA-N 0 3 248.345 3.151 20 0 BGADHN Cc1cc(F)ncc1CN1CCC[C@@H](C2CC2)C1 ZINC000894523195 583477267 /nfs/dbraw/zinc/47/72/67/583477267.db2.gz VGRJKZBMBLJVHU-CYBMUJFWSA-N 0 3 248.345 3.151 20 0 BGADHN Cc1cc(F)ncc1CN1CCC[C@H](C2CC2)C1 ZINC000894523196 583477331 /nfs/dbraw/zinc/47/73/31/583477331.db2.gz VGRJKZBMBLJVHU-ZDUSSCGKSA-N 0 3 248.345 3.151 20 0 BGADHN Cc1ncoc1CN[C@@H]1CCC[C@H](C)CC1 ZINC000894532610 583478221 /nfs/dbraw/zinc/47/82/21/583478221.db2.gz IMITXZTYMBQCIO-CMPLNLGQSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1ncoc1CN[C@H]1CCC[C@H](C)CC1 ZINC000894532611 583478289 /nfs/dbraw/zinc/47/82/89/583478289.db2.gz IMITXZTYMBQCIO-JQWIXIFHSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1ncoc1CN[C@H]1CCC[C@@H](C)CC1 ZINC000894532613 583478635 /nfs/dbraw/zinc/47/86/35/583478635.db2.gz IMITXZTYMBQCIO-PWSUYJOCSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1ncoc1CN[C@@H]1CCC[C@@H](C)CC1 ZINC000894532615 583478125 /nfs/dbraw/zinc/47/81/25/583478125.db2.gz IMITXZTYMBQCIO-ZYHUDNBSSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1ncoc1CN[C@@H]1CCCC(C)(C)C1 ZINC000894533441 583478323 /nfs/dbraw/zinc/47/83/23/583478323.db2.gz MEMLCECUTOIEFQ-LLVKDONJSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1ncoc1CN[C@H]1CCCC(C)(C)C1 ZINC000894533442 583478443 /nfs/dbraw/zinc/47/84/43/583478443.db2.gz MEMLCECUTOIEFQ-NSHDSACASA-N 0 3 222.332 3.041 20 0 BGADHN Cc1n[nH]c(CN2CCCC3(CCCC3)C2)c1C ZINC000894534885 583479026 /nfs/dbraw/zinc/47/90/26/583479026.db2.gz RHRXHBWPKRRVQF-UHFFFAOYSA-N 0 3 247.386 3.183 20 0 BGADHN Cc1ncoc1CNCC(C(C)C)C(C)C ZINC000894537087 583479567 /nfs/dbraw/zinc/47/95/67/583479567.db2.gz HQECTDVGVNEILK-UHFFFAOYSA-N 0 3 224.348 3.001 20 0 BGADHN CCc1onc(C)c1CN1CC(C)(C)[C@@H]1C1CC1 ZINC000894544052 583481829 /nfs/dbraw/zinc/48/18/29/583481829.db2.gz ITNSQNBDZQAQAR-AWEZNQCLSA-N 0 3 248.370 3.166 20 0 BGADHN CCc1onc(C)c1CN1CC(C)(C)[C@H]1C1CC1 ZINC000894544053 583482084 /nfs/dbraw/zinc/48/20/84/583482084.db2.gz ITNSQNBDZQAQAR-CQSZACIVSA-N 0 3 248.370 3.166 20 0 BGADHN Cc1n[nH]c(CN(CC2CCC2)C(C)C)c1C ZINC000894574525 583487010 /nfs/dbraw/zinc/48/70/10/583487010.db2.gz VFZGCAJWIXASMJ-UHFFFAOYSA-N 0 3 235.375 3.037 20 0 BGADHN CCN(Cc1ccc(OC)o1)CC(C)(C)C ZINC000894574593 583486803 /nfs/dbraw/zinc/48/68/03/583486803.db2.gz IQJTVHSPTVIBKD-UHFFFAOYSA-N 0 3 225.332 3.156 20 0 BGADHN CCN(Cc1cn(C)nc1C1CC1)CC(C)(C)C ZINC000894574936 583487102 /nfs/dbraw/zinc/48/71/02/583487102.db2.gz MNJAFRFCMRGIBT-UHFFFAOYSA-N 0 3 249.402 3.166 20 0 BGADHN CCN(Cc1cnn(C2CCC2)c1)CC(C)(C)C ZINC000894575067 583486921 /nfs/dbraw/zinc/48/69/21/583486921.db2.gz NTZPOOFIFHIJKS-UHFFFAOYSA-N 0 3 249.402 3.476 20 0 BGADHN CCN(Cc1cnn(C)c1C1CC1)CC(C)(C)C ZINC000894575391 583486958 /nfs/dbraw/zinc/48/69/58/583486958.db2.gz RHQFHTUXWIOJJZ-UHFFFAOYSA-N 0 3 249.402 3.166 20 0 BGADHN CCN(Cc1ccnn1C1CCC1)CC(C)(C)C ZINC000894575677 583486811 /nfs/dbraw/zinc/48/68/11/583486811.db2.gz UGDDYJMHQZUXSA-UHFFFAOYSA-N 0 3 249.402 3.476 20 0 BGADHN CCN(Cc1cn(CC)nc1C)CC(C)(C)C ZINC000894576092 583486715 /nfs/dbraw/zinc/48/67/15/583486715.db2.gz ZSEOCBPOVYCLEK-UHFFFAOYSA-N 0 3 237.391 3.079 20 0 BGADHN Cc1n[nH]c(CN(C)[C@@H](C)C2CCCCC2)c1C ZINC000894580521 583488389 /nfs/dbraw/zinc/48/83/89/583488389.db2.gz FCNOINYALYYHFF-ZDUSSCGKSA-N 0 3 249.402 3.427 20 0 BGADHN Cc1ncoc1CN[C@H](C)CC1CCCCC1 ZINC000894582355 583488315 /nfs/dbraw/zinc/48/83/15/583488315.db2.gz XXVSFSKWZOZTCB-LLVKDONJSA-N 0 3 236.359 3.432 20 0 BGADHN Cc1ncoc1CN(C)[C@@H](C)C1CCCCC1 ZINC000894582829 583488424 /nfs/dbraw/zinc/48/84/24/583488424.db2.gz XDUQDIFCQYJBED-LBPRGKRZSA-N 0 3 236.359 3.384 20 0 BGADHN Cc1ncoc1CN[C@@H](C)CC1CCCCC1 ZINC000894582842 583488267 /nfs/dbraw/zinc/48/82/67/583488267.db2.gz XXVSFSKWZOZTCB-NSHDSACASA-N 0 3 236.359 3.432 20 0 BGADHN COc1ccc(CN2CC3(CCC3)[C@@H]2C(C)C)o1 ZINC000894585854 583488947 /nfs/dbraw/zinc/48/89/47/583488947.db2.gz VOJPDHMCLSQOKF-AWEZNQCLSA-N 0 3 249.354 3.299 20 0 BGADHN COc1ccc(CN2CC3(CCC3)[C@H]2C(C)C)o1 ZINC000894585855 583489011 /nfs/dbraw/zinc/48/90/11/583489011.db2.gz VOJPDHMCLSQOKF-CQSZACIVSA-N 0 3 249.354 3.299 20 0 BGADHN Cc1cc(CN(C2CCC2)C2CCC2)cnc1F ZINC000894591021 583488377 /nfs/dbraw/zinc/48/83/77/583488377.db2.gz AHQYURPECPBRAZ-UHFFFAOYSA-N 0 3 248.345 3.436 20 0 BGADHN COc1ccc(CN(C2CCC2)C2CCC2)o1 ZINC000894591414 583488623 /nfs/dbraw/zinc/48/86/23/583488623.db2.gz DTQIZULCJLYFMI-UHFFFAOYSA-N 0 3 235.327 3.195 20 0 BGADHN Cc1cc(F)ncc1CN(C1CCC1)C1CCC1 ZINC000894592936 583492037 /nfs/dbraw/zinc/49/20/37/583492037.db2.gz PVSLYFAKTAKFLP-UHFFFAOYSA-N 0 3 248.345 3.436 20 0 BGADHN CCn1cc(CN(C2CCC2)C2CCC2)c(C)n1 ZINC000894593266 583493188 /nfs/dbraw/zinc/49/31/88/583493188.db2.gz SFTPDRDOGIDLHD-UHFFFAOYSA-N 0 3 247.386 3.118 20 0 BGADHN C[C@@H](CF)NC1CC(c2ccc(F)cc2F)C1 ZINC000894600293 583490452 /nfs/dbraw/zinc/49/04/52/583490452.db2.gz DUKRIFKKSVTDPE-SILCLGDVSA-N 0 3 243.272 3.158 20 0 BGADHN C[C@@H](CF)NC1CC(Sc2ccccc2)C1 ZINC000894600906 583491480 /nfs/dbraw/zinc/49/14/80/583491480.db2.gz NNNKZMYFPFNWBX-ZBOXLXRLSA-N 0 3 239.359 3.257 20 0 BGADHN C[C@H]1C[C@H](C)N1Cc1cccc2c1NCCC2 ZINC000894601433 583491040 /nfs/dbraw/zinc/49/10/40/583491040.db2.gz RRNSXGHZTUYDDG-RYUDHWBXSA-N 0 3 230.355 3.027 20 0 BGADHN C[C@@H]1C[C@H](C)N1Cc1cccc2c1NCCC2 ZINC000894601434 583490978 /nfs/dbraw/zinc/49/09/78/583490978.db2.gz RRNSXGHZTUYDDG-TXEJJXNPSA-N 0 3 230.355 3.027 20 0 BGADHN C[C@@H]1C[C@@H](C)N1Cc1cccc2c1NCCC2 ZINC000894601435 583491187 /nfs/dbraw/zinc/49/11/87/583491187.db2.gz RRNSXGHZTUYDDG-VXGBXAGGSA-N 0 3 230.355 3.027 20 0 BGADHN CC[C@H]1CC[C@H](NCc2nccn2C2CC2)CC1 ZINC000894606523 583491846 /nfs/dbraw/zinc/49/18/46/583491846.db2.gz TUXBICFJBLCTQR-JOCQHMNTSA-N 0 3 247.386 3.276 20 0 BGADHN CCn1cc(CN2CC(C)(C)[C@@H]2C(C)C)c(C)n1 ZINC000894606545 583492148 /nfs/dbraw/zinc/49/21/48/583492148.db2.gz UAJYQWHMGOKCAA-AWEZNQCLSA-N 0 3 249.402 3.078 20 0 BGADHN CCn1cc(CN2CC(C)(C)[C@H]2C(C)C)c(C)n1 ZINC000894606546 583491974 /nfs/dbraw/zinc/49/19/74/583491974.db2.gz UAJYQWHMGOKCAA-CQSZACIVSA-N 0 3 249.402 3.078 20 0 BGADHN CC1CN(Cc2cc3c(cccc3O)s2)C1 ZINC000894608404 583492142 /nfs/dbraw/zinc/49/21/42/583492142.db2.gz HQIULERMYDULLC-UHFFFAOYSA-N 0 3 233.336 3.059 20 0 BGADHN CCc1noc(C)c1CNCCCCC(C)C ZINC000894614637 583494584 /nfs/dbraw/zinc/49/45/84/583494584.db2.gz QZOSPSQHOHYNIE-UHFFFAOYSA-N 0 3 238.375 3.461 20 0 BGADHN Cc1ncoc1CNCC1(C)CCC(C)CC1 ZINC000894614913 583494150 /nfs/dbraw/zinc/49/41/50/583494150.db2.gz ZXFSKSTYYIGVFT-UHFFFAOYSA-N 0 3 236.359 3.289 20 0 BGADHN COc1ccc(CNC2CC(C(C)(C)C)C2)o1 ZINC000894616715 583494749 /nfs/dbraw/zinc/49/47/49/583494749.db2.gz LIZXPNSKYQNHPX-UHFFFAOYSA-N 0 3 237.343 3.203 20 0 BGADHN CCn1cc(CNC2CC(C(C)(C)C)C2)c(C)n1 ZINC000894618075 583495735 /nfs/dbraw/zinc/49/57/35/583495735.db2.gz WKFAZBHBUCLJHJ-UHFFFAOYSA-N 0 3 249.402 3.126 20 0 BGADHN CC(C)(C)C1CC(NCc2nccn2C2CC2)C1 ZINC000894618588 583495422 /nfs/dbraw/zinc/49/54/22/583495422.db2.gz YPGAPAKJAVYXQJ-UHFFFAOYSA-N 0 3 247.386 3.132 20 0 BGADHN COc1ccc(CNC2CC(C(C)(C)C)C2)nc1 ZINC000894622308 583496023 /nfs/dbraw/zinc/49/60/23/583496023.db2.gz GVCKUPJPRGRAGV-UHFFFAOYSA-N 0 3 248.370 3.005 20 0 BGADHN CC(C)Cc1ccc(CNCC[C@@H](C)F)cn1 ZINC000894623456 583496581 /nfs/dbraw/zinc/49/65/81/583496581.db2.gz HFRDBQSHEGTJLJ-GFCCVEGCSA-N 0 3 238.350 3.118 20 0 BGADHN CC(C)Cc1ccc(CNCC[C@H](C)F)cn1 ZINC000894623458 583496216 /nfs/dbraw/zinc/49/62/16/583496216.db2.gz HFRDBQSHEGTJLJ-LBPRGKRZSA-N 0 3 238.350 3.118 20 0 BGADHN Cc1n[nH]c(CN(C)[C@@H]2CCC(C)(C)C2)c1C ZINC000894627418 583495498 /nfs/dbraw/zinc/49/54/98/583495498.db2.gz IRPXVPLVDNQVPR-GFCCVEGCSA-N 0 3 235.375 3.037 20 0 BGADHN Cc1n[nH]c(CN(C)[C@H]2CCC(C)(C)C2)c1C ZINC000894627419 583495567 /nfs/dbraw/zinc/49/55/67/583495567.db2.gz IRPXVPLVDNQVPR-LBPRGKRZSA-N 0 3 235.375 3.037 20 0 BGADHN Cc1ncoc1CN1CCC[C@@H](C(C)(C)C)C1 ZINC000894636149 583498480 /nfs/dbraw/zinc/49/84/80/583498480.db2.gz MIOSREQEQCURJZ-GFCCVEGCSA-N 0 3 236.359 3.241 20 0 BGADHN Cc1ncoc1CN1CCC[C@H](C(C)(C)C)C1 ZINC000894636150 583498380 /nfs/dbraw/zinc/49/83/80/583498380.db2.gz MIOSREQEQCURJZ-LBPRGKRZSA-N 0 3 236.359 3.241 20 0 BGADHN Cc1n[nH]c(CN(CC2CC2)CC2CCC2)c1C ZINC000894640466 583498023 /nfs/dbraw/zinc/49/80/23/583498023.db2.gz YNOFMHSUGAFGIM-UHFFFAOYSA-N 0 3 247.386 3.039 20 0 BGADHN Cc1ncoc1CNC[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000894643900 583499451 /nfs/dbraw/zinc/49/94/51/583499451.db2.gz UGMAMVWYFAROAZ-GVXVVHGQSA-N 0 3 236.359 3.145 20 0 BGADHN Cc1ncoc1CNC[C@@H]1CCC[C@H](C)[C@H]1C ZINC000894643901 583499221 /nfs/dbraw/zinc/49/92/21/583499221.db2.gz UGMAMVWYFAROAZ-LOWVWBTDSA-N 0 3 236.359 3.145 20 0 BGADHN Cc1ncoc1CNC[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000894643902 583499060 /nfs/dbraw/zinc/49/90/60/583499060.db2.gz UGMAMVWYFAROAZ-MDZLAQPJSA-N 0 3 236.359 3.145 20 0 BGADHN Cc1ncoc1CNC[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000894643903 583499351 /nfs/dbraw/zinc/49/93/51/583499351.db2.gz UGMAMVWYFAROAZ-WZRBSPASSA-N 0 3 236.359 3.145 20 0 BGADHN COc1ccc(CNCCC(C)(C)C2CC2)nc1 ZINC000894644228 583499055 /nfs/dbraw/zinc/49/90/55/583499055.db2.gz BHSXJNUMCAFZGY-UHFFFAOYSA-N 0 3 248.370 3.006 20 0 BGADHN COc1ccc(CNCCC(C)(C)C2CC2)o1 ZINC000894646729 583500145 /nfs/dbraw/zinc/50/01/45/583500145.db2.gz JBKVKWACPUJTKV-UHFFFAOYSA-N 0 3 237.343 3.204 20 0 BGADHN CC1=CCCN(Cc2cccc3c2NCCC3)C1 ZINC000894648759 583500205 /nfs/dbraw/zinc/50/02/05/583500205.db2.gz KZBKDGTXIINXEG-UHFFFAOYSA-N 0 3 242.366 3.197 20 0 BGADHN CSCCCN(C)Cc1ccc(SC)o1 ZINC000894652296 583500845 /nfs/dbraw/zinc/50/08/45/583500845.db2.gz KLKZIMIDFZTAPV-UHFFFAOYSA-N 0 3 245.413 3.186 20 0 BGADHN CC(F)(F)CCNCc1cc(O)cc(Cl)c1 ZINC000894658578 583500949 /nfs/dbraw/zinc/50/09/49/583500949.db2.gz IIBBBPLESRVXOJ-UHFFFAOYSA-N 0 3 249.688 3.181 20 0 BGADHN COC1CCC(CN2CCC[C@@](C)(F)C2)CC1 ZINC000894658670 583500093 /nfs/dbraw/zinc/50/00/93/583500093.db2.gz JHOHRELIHHJAEB-JXQTWKCFSA-N 0 3 243.366 3.016 20 0 BGADHN COC1CCC(CN2CCC[C@](C)(F)C2)CC1 ZINC000894658673 583500165 /nfs/dbraw/zinc/50/01/65/583500165.db2.gz JHOHRELIHHJAEB-RUXDESIVSA-N 0 3 243.366 3.016 20 0 BGADHN CSCc1ccc(CN2CC3(CC3)C2)cc1 ZINC000894662703 583501539 /nfs/dbraw/zinc/50/15/39/583501539.db2.gz ALJBYTDPBOMGLW-UHFFFAOYSA-N 0 3 233.380 3.145 20 0 BGADHN Cc1cc(F)ncc1CNCC1=CCCCC1 ZINC000894662766 583501210 /nfs/dbraw/zinc/50/12/10/583501210.db2.gz CKBOJILFCFNPBE-UHFFFAOYSA-N 0 3 234.318 3.119 20 0 BGADHN Cc1cc(CNCC2=CCCCC2)cnc1F ZINC000894663020 583501431 /nfs/dbraw/zinc/50/14/31/583501431.db2.gz FDCPOMKSJPNQRW-UHFFFAOYSA-N 0 3 234.318 3.119 20 0 BGADHN CCc1onc(C)c1CNCC1=CCCCC1 ZINC000894663324 583502378 /nfs/dbraw/zinc/50/23/78/583502378.db2.gz IDXXHKILIHUKJS-UHFFFAOYSA-N 0 3 234.343 3.135 20 0 BGADHN Cc1n[nH]c(CN(C)[C@H](C)C2CCCCC2)c1C ZINC000894678838 583505109 /nfs/dbraw/zinc/50/51/09/583505109.db2.gz FCNOINYALYYHFF-CYBMUJFWSA-N 0 3 249.402 3.427 20 0 BGADHN Cc1ncoc1CN(C)[C@H](C)C1CCCCC1 ZINC000894679994 583505289 /nfs/dbraw/zinc/50/52/89/583505289.db2.gz XDUQDIFCQYJBED-GFCCVEGCSA-N 0 3 236.359 3.384 20 0 BGADHN CCCSC[C@@H](C)NCc1ccnc(C)c1 ZINC000894680496 583504835 /nfs/dbraw/zinc/50/48/35/583504835.db2.gz WICVDMYELNNEBB-GFCCVEGCSA-N 0 3 238.400 3.011 20 0 BGADHN CCCSC[C@H](C)NCc1ccnc(C)c1 ZINC000894680497 583504904 /nfs/dbraw/zinc/50/49/04/583504904.db2.gz WICVDMYELNNEBB-LBPRGKRZSA-N 0 3 238.400 3.011 20 0 BGADHN CCC1([NH2+]Cc2cc([O-])cc(Cl)c2)CC1 ZINC000894683043 583507308 /nfs/dbraw/zinc/50/73/08/583507308.db2.gz JJJGCMHEMARPHD-UHFFFAOYSA-N 0 3 225.719 3.078 20 0 BGADHN CCC1(NCc2ccc(CC(C)C)nc2)CC1 ZINC000894684579 583507913 /nfs/dbraw/zinc/50/79/13/583507913.db2.gz XCMPOXRLRACSKU-UHFFFAOYSA-N 0 3 232.371 3.312 20 0 BGADHN CCC1(NCc2ccc(OC)o2)CCCC1 ZINC000894687296 583507075 /nfs/dbraw/zinc/50/70/75/583507075.db2.gz BEHVKHZGAFKODB-UHFFFAOYSA-N 0 3 223.316 3.101 20 0 BGADHN CC(C)Cc1ccc(CN2CC[C@H]2C2CC2)cn1 ZINC000894689007 583508934 /nfs/dbraw/zinc/50/89/34/583508934.db2.gz IUOPZXFABMPEIH-INIZCTEOSA-N 0 3 244.382 3.264 20 0 BGADHN CC(C)Cc1ccc(CN2CC[C@@H]2C2CC2)cn1 ZINC000894689008 583508553 /nfs/dbraw/zinc/50/85/53/583508553.db2.gz IUOPZXFABMPEIH-MRXNPFEDSA-N 0 3 244.382 3.264 20 0 BGADHN Cc1nn(C(C)C)c(C)c1CN1CC[C@H]1C1CC1 ZINC000894689978 583508828 /nfs/dbraw/zinc/50/88/28/583508828.db2.gz PAZVCBNVZRRHNK-HNNXBMFYSA-N 0 3 247.386 3.065 20 0 BGADHN Cc1nn(C(C)C)c(C)c1CN1CC[C@@H]1C1CC1 ZINC000894689993 583508811 /nfs/dbraw/zinc/50/88/11/583508811.db2.gz PAZVCBNVZRRHNK-OAHLLOKOSA-N 0 3 247.386 3.065 20 0 BGADHN CC[C@@H]1CCC[C@@H]1CNCc1nccn1C1CC1 ZINC000894690087 583508546 /nfs/dbraw/zinc/50/85/46/583508546.db2.gz NGTDVTCKTKQKNN-CHWSQXEVSA-N 0 3 247.386 3.134 20 0 BGADHN CC[C@@H]1CCC[C@H]1CNCc1nccn1C1CC1 ZINC000894690089 583508695 /nfs/dbraw/zinc/50/86/95/583508695.db2.gz NGTDVTCKTKQKNN-OLZOCXBDSA-N 0 3 247.386 3.134 20 0 BGADHN CC[C@H]1CCC[C@@H]1CNCc1nccn1C1CC1 ZINC000894690091 583508563 /nfs/dbraw/zinc/50/85/63/583508563.db2.gz NGTDVTCKTKQKNN-QWHCGFSZSA-N 0 3 247.386 3.134 20 0 BGADHN CC[C@H]1CCC[C@H]1CNCc1nccn1C1CC1 ZINC000894690093 583509034 /nfs/dbraw/zinc/50/90/34/583509034.db2.gz NGTDVTCKTKQKNN-STQMWFEESA-N 0 3 247.386 3.134 20 0 BGADHN CC(C)=CCC[C@@H](C)NCc1nccn1C1CC1 ZINC000894691702 583507987 /nfs/dbraw/zinc/50/79/87/583507987.db2.gz BMZOGYBAGFQPDC-CYBMUJFWSA-N 0 3 247.386 3.443 20 0 BGADHN CC(C)=CCC[C@H](C)NCc1nccn1C1CC1 ZINC000894691703 583508004 /nfs/dbraw/zinc/50/80/04/583508004.db2.gz BMZOGYBAGFQPDC-ZDUSSCGKSA-N 0 3 247.386 3.443 20 0 BGADHN COc1ccc(CN[C@H](C)CCC=C(C)C)nc1 ZINC000894691912 583507881 /nfs/dbraw/zinc/50/78/81/583507881.db2.gz KBJNTGZZCGVZJZ-CYBMUJFWSA-N 0 3 248.370 3.315 20 0 BGADHN COc1ccc(CN[C@@H](C)CCC=C(C)C)nc1 ZINC000894691913 583507708 /nfs/dbraw/zinc/50/77/08/583507708.db2.gz KBJNTGZZCGVZJZ-ZDUSSCGKSA-N 0 3 248.370 3.315 20 0 BGADHN Cc1n[nH]c(CN(C)[C@H]2CCCC[C@@H]2C)c1C ZINC000894700375 583510055 /nfs/dbraw/zinc/51/00/55/583510055.db2.gz KXNJKEYANUWLED-HZMBPMFUSA-N 0 3 235.375 3.037 20 0 BGADHN Cc1n[nH]c(CN(C)[C@@H]2CCCC[C@@H]2C)c1C ZINC000894700377 583509943 /nfs/dbraw/zinc/50/99/43/583509943.db2.gz KXNJKEYANUWLED-IINYFYTJSA-N 0 3 235.375 3.037 20 0 BGADHN Cc1n[nH]c(CN(C)[C@@H]2CCCC[C@H]2C)c1C ZINC000894700378 583509837 /nfs/dbraw/zinc/50/98/37/583509837.db2.gz KXNJKEYANUWLED-QMTHXVAHSA-N 0 3 235.375 3.037 20 0 BGADHN Cc1n[nH]c(CN(C)[C@H]2CCCC[C@H]2C)c1C ZINC000894700380 583509896 /nfs/dbraw/zinc/50/98/96/583509896.db2.gz KXNJKEYANUWLED-YGRLFVJLSA-N 0 3 235.375 3.037 20 0 BGADHN CC/C=C/CNCc1c(C)nn(C(C)C)c1C ZINC000894705367 583511974 /nfs/dbraw/zinc/51/19/74/583511974.db2.gz ZNMNGHQGVAFERP-BQYQJAHWSA-N 0 3 235.375 3.137 20 0 BGADHN CC/C=C\CNCc1c(C)nn(C(C)C)c1C ZINC000894705369 583511956 /nfs/dbraw/zinc/51/19/56/583511956.db2.gz ZNMNGHQGVAFERP-FPLPWBNLSA-N 0 3 235.375 3.137 20 0 BGADHN COc1ccc(CNCC(C)(C)C2CCC2)nc1 ZINC000894714490 583511208 /nfs/dbraw/zinc/51/12/08/583511208.db2.gz BNEGWHCASNCDBA-UHFFFAOYSA-N 0 3 248.370 3.006 20 0 BGADHN COc1ccc(CNCC(C)(C)C2CCC2)o1 ZINC000894716030 583511281 /nfs/dbraw/zinc/51/12/81/583511281.db2.gz SRXZCMZLJPXQEP-UHFFFAOYSA-N 0 3 237.343 3.204 20 0 BGADHN Cc1cc(CN2C[C@@H]3CCCC[C@@H]3C2)cnc1F ZINC000894721241 583513094 /nfs/dbraw/zinc/51/30/94/583513094.db2.gz BUNGGIANQUSXOU-OKILXGFUSA-N 0 3 248.345 3.151 20 0 BGADHN Cc1cc(F)ncc1CN1C[C@@H]2CCCC[C@@H]2C1 ZINC000894722335 583514948 /nfs/dbraw/zinc/51/49/48/583514948.db2.gz JHKRVDJQURCRTJ-BETUJISGSA-N 0 3 248.345 3.151 20 0 BGADHN CCOc1ccc(CNC(C)(C)C2CCC2)o1 ZINC000894722944 583514622 /nfs/dbraw/zinc/51/46/22/583514622.db2.gz KYYFTSUVYTZQOK-UHFFFAOYSA-N 0 3 237.343 3.347 20 0 BGADHN CCCSC[C@@H](C)NCc1cnccc1C ZINC000894730331 583513802 /nfs/dbraw/zinc/51/38/02/583513802.db2.gz FOQFNCUAABCDKD-GFCCVEGCSA-N 0 3 238.400 3.011 20 0 BGADHN CCCSC[C@H](C)NCc1cnccc1C ZINC000894730333 583513387 /nfs/dbraw/zinc/51/33/87/583513387.db2.gz FOQFNCUAABCDKD-LBPRGKRZSA-N 0 3 238.400 3.011 20 0 BGADHN c1cn(C2CC2)c(CNC23CCC(CC2)CC3)n1 ZINC000894735707 583514173 /nfs/dbraw/zinc/51/41/73/583514173.db2.gz KPSHHPJACSMBGY-UHFFFAOYSA-N 0 3 245.370 3.030 20 0 BGADHN [O-]c1ccc(C[NH2+]C23CCC(CC2)CC3)cc1F ZINC000894736051 583514930 /nfs/dbraw/zinc/51/49/30/583514930.db2.gz NFZZRDTYDBFYSI-UHFFFAOYSA-N 0 3 249.329 3.344 20 0 BGADHN CCOc1ccc(CNC23CCC(CC2)CC3)o1 ZINC000894736756 583514971 /nfs/dbraw/zinc/51/49/71/583514971.db2.gz SWZNICYQEYWWAR-UHFFFAOYSA-N 0 3 249.354 3.491 20 0 BGADHN COc1ccc(CNC23CCC(CC2)CC3)o1 ZINC000894737080 583514797 /nfs/dbraw/zinc/51/47/97/583514797.db2.gz YNEBTYQQXMNLIR-UHFFFAOYSA-N 0 3 235.327 3.101 20 0 BGADHN c1cn(C2CC2)c(CN2CCCCCCCC2)n1 ZINC000894742318 583515706 /nfs/dbraw/zinc/51/57/06/583515706.db2.gz DFSHUFOJEBIXGY-UHFFFAOYSA-N 0 3 247.386 3.374 20 0 BGADHN CCc1ncc(CNCCCCC(C)C)o1 ZINC000894753535 583516161 /nfs/dbraw/zinc/51/61/61/583516161.db2.gz JMTAMNUANDCSMI-UHFFFAOYSA-N 0 3 224.348 3.153 20 0 BGADHN CCOc1ccc(CNC2(C3(C)CC3)CC2)o1 ZINC000894759969 711772079 /nfs/dbraw/zinc/77/20/79/711772079.db2.gz CQTKIPXMEGIXEH-UHFFFAOYSA-N 0 3 235.327 3.101 20 0 BGADHN COc1cccnc1CNCCCCC(C)C ZINC000894778098 583519333 /nfs/dbraw/zinc/51/93/33/583519333.db2.gz MLMPVHMCJHPPFB-UHFFFAOYSA-N 0 3 236.359 3.006 20 0 BGADHN CC[C@H](CSC)N(C)Cc1cc(C)co1 ZINC000894780923 583520212 /nfs/dbraw/zinc/52/02/12/583520212.db2.gz AEBDJMIGOBMTRP-LLVKDONJSA-N 0 3 227.373 3.161 20 0 BGADHN CC[C@@H](CSC)N(C)Cc1cc(C)co1 ZINC000894780924 583520657 /nfs/dbraw/zinc/52/06/57/583520657.db2.gz AEBDJMIGOBMTRP-NSHDSACASA-N 0 3 227.373 3.161 20 0 BGADHN CCCC[C@@H](NCc1ocnc1C)C1CCC1 ZINC000894780955 583520394 /nfs/dbraw/zinc/52/03/94/583520394.db2.gz BFMWWQSLOMCPDF-CYBMUJFWSA-N 0 3 236.359 3.432 20 0 BGADHN CCCC[C@H](NCc1ocnc1C)C1CCC1 ZINC000894780956 583520749 /nfs/dbraw/zinc/52/07/49/583520749.db2.gz BFMWWQSLOMCPDF-ZDUSSCGKSA-N 0 3 236.359 3.432 20 0 BGADHN Cc1coc(CN2CC3(CCC3)[C@@H]2C2CC2)c1 ZINC000894793753 583522665 /nfs/dbraw/zinc/52/26/65/583522665.db2.gz HNSDNJXTKXPRNQ-AWEZNQCLSA-N 0 3 231.339 3.353 20 0 BGADHN Cc1coc(CN2CC3(CCC3)[C@H]2C2CC2)c1 ZINC000894793754 583522986 /nfs/dbraw/zinc/52/29/86/583522986.db2.gz HNSDNJXTKXPRNQ-CQSZACIVSA-N 0 3 231.339 3.353 20 0 BGADHN Cc1n[nH]c(CN2CCC(C)(C3CC3)CC2)c1C ZINC000894795993 711772281 /nfs/dbraw/zinc/77/22/81/711772281.db2.gz WIVOOSUNZKQLIV-UHFFFAOYSA-N 0 3 247.386 3.039 20 0 BGADHN COc1ccc(CN[C@H](C)CC(C)(C)C)nc1 ZINC000894807027 583523714 /nfs/dbraw/zinc/52/37/14/583523714.db2.gz NNMRFXNRJAPGEH-LLVKDONJSA-N 0 3 236.359 3.005 20 0 BGADHN COc1ccc(CN[C@@H](C)CC(C)(C)C)nc1 ZINC000894807028 583523444 /nfs/dbraw/zinc/52/34/44/583523444.db2.gz NNMRFXNRJAPGEH-NSHDSACASA-N 0 3 236.359 3.005 20 0 BGADHN COc1ccc(CN[C@@H](C)CC(C)(C)C)o1 ZINC000894807766 583523838 /nfs/dbraw/zinc/52/38/38/583523838.db2.gz XAUXOXGMXTYMGZ-JTQLQIEISA-N 0 3 225.332 3.203 20 0 BGADHN COc1ccc(CN[C@H](C)CC(C)(C)C)o1 ZINC000894807768 583523357 /nfs/dbraw/zinc/52/33/57/583523357.db2.gz XAUXOXGMXTYMGZ-SNVBAGLBSA-N 0 3 225.332 3.203 20 0 BGADHN CC(C)CCCCN1CC(C(F)F)C1 ZINC000894828012 583526835 /nfs/dbraw/zinc/52/68/35/583526835.db2.gz KBLKOAPSBRRKET-UHFFFAOYSA-N 0 3 205.292 3.010 20 0 BGADHN FC1CC2(C1)CN(C[C@H]1CCc3ccccc31)C2 ZINC000894830026 583527519 /nfs/dbraw/zinc/52/75/19/583527519.db2.gz IHGOBRXSYVAOLQ-CYBMUJFWSA-N 0 3 245.341 3.150 20 0 BGADHN FC1CC2(C1)CN(C[C@@H]1CCc3ccccc31)C2 ZINC000894830028 583527630 /nfs/dbraw/zinc/52/76/30/583527630.db2.gz IHGOBRXSYVAOLQ-ZDUSSCGKSA-N 0 3 245.341 3.150 20 0 BGADHN CCc1onc(C)c1CN1CC(C2CCCC2)C1 ZINC000894834663 583528943 /nfs/dbraw/zinc/52/89/43/583528943.db2.gz FLFJILOVIKPEAM-UHFFFAOYSA-N 0 3 248.370 3.167 20 0 BGADHN Cc1[nH]nc(CN2CC3(CCC3)[C@@H]2C(C)C)c1C ZINC000894837605 583529259 /nfs/dbraw/zinc/52/92/59/583529259.db2.gz ZMXZEWSLJBYBEK-AWEZNQCLSA-N 0 3 247.386 3.037 20 0 BGADHN Cc1n[nH]c(CN2CC3(CCC3)[C@@H]2C(C)C)c1C ZINC000894837605 583529258 /nfs/dbraw/zinc/52/92/58/583529258.db2.gz ZMXZEWSLJBYBEK-AWEZNQCLSA-N 0 3 247.386 3.037 20 0 BGADHN Cc1[nH]nc(CN2CC3(CCC3)[C@H]2C(C)C)c1C ZINC000894837606 583529570 /nfs/dbraw/zinc/52/95/70/583529570.db2.gz ZMXZEWSLJBYBEK-CQSZACIVSA-N 0 3 247.386 3.037 20 0 BGADHN Cc1n[nH]c(CN2CC3(CCC3)[C@H]2C(C)C)c1C ZINC000894837606 583529568 /nfs/dbraw/zinc/52/95/68/583529568.db2.gz ZMXZEWSLJBYBEK-CQSZACIVSA-N 0 3 247.386 3.037 20 0 BGADHN COCCC1(C)CN(CCCCC(C)C)C1 ZINC000894839991 583529927 /nfs/dbraw/zinc/52/99/27/583529927.db2.gz MWSAAKRQTADVGG-UHFFFAOYSA-N 0 3 227.392 3.171 20 0 BGADHN CCc1onc(C)c1CN1CC(C(C)(C)C)C1 ZINC000894843066 583530473 /nfs/dbraw/zinc/53/04/73/583530473.db2.gz JCTRUNPGHWFBPR-UHFFFAOYSA-N 0 3 236.359 3.023 20 0 BGADHN CC(C)(C)C1CN(Cc2ccc(O)c(F)c2)C1 ZINC000894843359 583530852 /nfs/dbraw/zinc/53/08/52/583530852.db2.gz MVKMPHYNKACDPP-UHFFFAOYSA-N 0 3 237.318 3.009 20 0 BGADHN Cc1ncoc1CNCC(C)(C)C(C)(C)C ZINC000894850831 583531714 /nfs/dbraw/zinc/53/17/14/583531714.db2.gz KQCZTQLZHQUUSJ-UHFFFAOYSA-N 0 3 224.348 3.145 20 0 BGADHN CSC[C@@H]1CCCN(Cc2cc(C)co2)C1 ZINC000894851529 583531656 /nfs/dbraw/zinc/53/16/56/583531656.db2.gz MYSIZLMLNPTLBP-GFCCVEGCSA-N 0 3 239.384 3.163 20 0 BGADHN CSC[C@H]1CCCN(Cc2cc(C)co2)C1 ZINC000894851530 583531804 /nfs/dbraw/zinc/53/18/04/583531804.db2.gz MYSIZLMLNPTLBP-LBPRGKRZSA-N 0 3 239.384 3.163 20 0 BGADHN Cc1coc(CN(C2CCC2)C2CCC2)c1 ZINC000894853544 583532182 /nfs/dbraw/zinc/53/21/82/583532182.db2.gz VWKGBTFCKDELEQ-UHFFFAOYSA-N 0 3 219.328 3.495 20 0 BGADHN C[C@@H](CF)NCc1cc2c(cccc2O)s1 ZINC000894853998 635953269 /nfs/dbraw/zinc/95/32/69/635953269.db2.gz AFQHAOYPNNJFOM-QMMMGPOBSA-N 0 3 239.315 3.055 20 0 BGADHN Cc1cc(CN(C)C2CC(C)(C)C2)cnc1F ZINC000894860572 583534175 /nfs/dbraw/zinc/53/41/75/583534175.db2.gz DWFBJVDSJHKUKX-UHFFFAOYSA-N 0 3 236.334 3.150 20 0 BGADHN C[C@@H]1CN(Cc2ccc3[nH]ccc3c2)[C@@H]1C ZINC000894860727 583534037 /nfs/dbraw/zinc/53/40/37/583534037.db2.gz YSGUSWXIOXSWSS-GHMZBOCLSA-N 0 3 214.312 3.008 20 0 BGADHN C[C@@H]1CN(Cc2ccc3[nH]ccc3c2)[C@H]1C ZINC000894860728 583534280 /nfs/dbraw/zinc/53/42/80/583534280.db2.gz YSGUSWXIOXSWSS-MNOVXSKESA-N 0 3 214.312 3.008 20 0 BGADHN C[C@H]1CN(Cc2ccc3[nH]ccc3c2)[C@H]1C ZINC000894860729 583534585 /nfs/dbraw/zinc/53/45/85/583534585.db2.gz YSGUSWXIOXSWSS-QWRGUYRKSA-N 0 3 214.312 3.008 20 0 BGADHN C[C@@H]1[C@@H](C)CN1Cc1ccc2[nH]ccc2c1 ZINC000894860730 583534108 /nfs/dbraw/zinc/53/41/08/583534108.db2.gz YSGUSWXIOXSWSS-WDEREUQCSA-N 0 3 214.312 3.008 20 0 BGADHN CN(Cc1cn2ccnc2s1)C1CC(C)(C)C1 ZINC000894860790 583534761 /nfs/dbraw/zinc/53/47/61/583534761.db2.gz GRPLZBGQBBLICX-UHFFFAOYSA-N 0 3 249.383 3.016 20 0 BGADHN Cc1cc(F)ncc1CN(C)C1CC(C)(C)C1 ZINC000894861023 583534329 /nfs/dbraw/zinc/53/43/29/583534329.db2.gz NSMFUXYCIGCJQQ-UHFFFAOYSA-N 0 3 236.334 3.150 20 0 BGADHN CN(Cc1cnn(C2CCC2)c1)C1CC(C)(C)C1 ZINC000894861158 583534716 /nfs/dbraw/zinc/53/47/16/583534716.db2.gz QNSNYGAJLURRMH-UHFFFAOYSA-N 0 3 247.386 3.229 20 0 BGADHN C[N@@H+](Cc1ccc([O-])c(F)c1)C1CC(C)(C)C1 ZINC000894861448 583536251 /nfs/dbraw/zinc/53/62/51/583536251.db2.gz UWAZIYSCBPWESA-UHFFFAOYSA-N 0 3 237.318 3.152 20 0 BGADHN C[N@H+](Cc1ccc([O-])c(F)c1)C1CC(C)(C)C1 ZINC000894861448 583536249 /nfs/dbraw/zinc/53/62/49/583536249.db2.gz UWAZIYSCBPWESA-UHFFFAOYSA-N 0 3 237.318 3.152 20 0 BGADHN C[C@@H]1CN(Cc2cc3ccncc3s2)[C@@H]1C ZINC000894861692 583535597 /nfs/dbraw/zinc/53/55/97/583535597.db2.gz MLOMRUCXKNWKHO-NXEZZACHSA-N 0 3 232.352 3.137 20 0 BGADHN C[C@H]1CN(Cc2cc3ccncc3s2)[C@H]1C ZINC000894861693 583535508 /nfs/dbraw/zinc/53/55/08/583535508.db2.gz MLOMRUCXKNWKHO-UWVGGRQHSA-N 0 3 232.352 3.137 20 0 BGADHN C[C@@H]1[C@@H](C)CN1Cc1cc2ccncc2s1 ZINC000894861694 583535051 /nfs/dbraw/zinc/53/50/51/583535051.db2.gz MLOMRUCXKNWKHO-VHSXEESVSA-N 0 3 232.352 3.137 20 0 BGADHN C[C@@H]1CN(Cc2cc3ccncc3s2)[C@H]1C ZINC000894861695 583535662 /nfs/dbraw/zinc/53/56/62/583535662.db2.gz MLOMRUCXKNWKHO-ZJUUUORDSA-N 0 3 232.352 3.137 20 0 BGADHN C[C@@H]1CN(Cc2cnc3c(F)cccc3c2)[C@@H]1C ZINC000894861949 583535011 /nfs/dbraw/zinc/53/50/11/583535011.db2.gz PSQFZHAFAFEWET-GHMZBOCLSA-N 0 3 244.313 3.214 20 0 BGADHN C[C@@H]1CN(Cc2cnc3c(F)cccc3c2)[C@H]1C ZINC000894861950 583535645 /nfs/dbraw/zinc/53/56/45/583535645.db2.gz PSQFZHAFAFEWET-MNOVXSKESA-N 0 3 244.313 3.214 20 0 BGADHN C[C@H]1CN(Cc2cnc3c(F)cccc3c2)[C@H]1C ZINC000894861951 583535718 /nfs/dbraw/zinc/53/57/18/583535718.db2.gz PSQFZHAFAFEWET-QWRGUYRKSA-N 0 3 244.313 3.214 20 0 BGADHN C[C@@H]1[C@@H](C)CN1Cc1cnc2c(F)cccc2c1 ZINC000894861952 583535631 /nfs/dbraw/zinc/53/56/31/583535631.db2.gz PSQFZHAFAFEWET-WDEREUQCSA-N 0 3 244.313 3.214 20 0 BGADHN C[C@@H]1CN(Cc2ccc3cc[nH]c3c2)[C@@H]1C ZINC000894862368 583536783 /nfs/dbraw/zinc/53/67/83/583536783.db2.gz WYVWXZHUWVKREV-GHMZBOCLSA-N 0 3 214.312 3.008 20 0 BGADHN C[C@@H]1CN(Cc2ccc3cc[nH]c3c2)[C@H]1C ZINC000894862369 583537147 /nfs/dbraw/zinc/53/71/47/583537147.db2.gz WYVWXZHUWVKREV-MNOVXSKESA-N 0 3 214.312 3.008 20 0 BGADHN C[C@H]1CN(Cc2ccc3cc[nH]c3c2)[C@H]1C ZINC000894862371 583537382 /nfs/dbraw/zinc/53/73/82/583537382.db2.gz WYVWXZHUWVKREV-QWRGUYRKSA-N 0 3 214.312 3.008 20 0 BGADHN C[C@@H]1[C@@H](C)CN1Cc1ccc2cc[nH]c2c1 ZINC000894862372 583536818 /nfs/dbraw/zinc/53/68/18/583536818.db2.gz WYVWXZHUWVKREV-WDEREUQCSA-N 0 3 214.312 3.008 20 0 BGADHN COc1ccc(CNC2(C3CCC3)CCC2)o1 ZINC000894862673 583536956 /nfs/dbraw/zinc/53/69/56/583536956.db2.gz BGXGZZJLAYDMBE-UHFFFAOYSA-N 0 3 235.327 3.101 20 0 BGADHN CCOc1ccc(CNC2(C3CCC3)CCC2)o1 ZINC000894864183 583536032 /nfs/dbraw/zinc/53/60/32/583536032.db2.gz IAEHTEWYTBLLTN-UHFFFAOYSA-N 0 3 249.354 3.491 20 0 BGADHN CCOc1ccc(CN[C@@]2(C)CC=CCC2)o1 ZINC000894867039 583538230 /nfs/dbraw/zinc/53/82/30/583538230.db2.gz GBDNOBYWUIKVAF-AWEZNQCLSA-N 0 3 235.327 3.267 20 0 BGADHN CCOc1ccc(CN[C@]2(C)CC=CCC2)o1 ZINC000894867041 583538470 /nfs/dbraw/zinc/53/84/70/583538470.db2.gz GBDNOBYWUIKVAF-CQSZACIVSA-N 0 3 235.327 3.267 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1CNCc1ocnc1C ZINC000894873764 583541079 /nfs/dbraw/zinc/54/10/79/583541079.db2.gz MCSIKNXQSGDZOG-CHWSQXEVSA-N 0 3 236.359 3.289 20 0 BGADHN CC[C@@H]1CCCC[C@H]1CNCc1ocnc1C ZINC000894873765 583540940 /nfs/dbraw/zinc/54/09/40/583540940.db2.gz MCSIKNXQSGDZOG-OLZOCXBDSA-N 0 3 236.359 3.289 20 0 BGADHN CC[C@H]1CCCC[C@@H]1CNCc1ocnc1C ZINC000894873766 583541102 /nfs/dbraw/zinc/54/11/02/583541102.db2.gz MCSIKNXQSGDZOG-QWHCGFSZSA-N 0 3 236.359 3.289 20 0 BGADHN CC[C@H]1CCCC[C@H]1CNCc1ocnc1C ZINC000894873767 583541085 /nfs/dbraw/zinc/54/10/85/583541085.db2.gz MCSIKNXQSGDZOG-STQMWFEESA-N 0 3 236.359 3.289 20 0 BGADHN C[C@H]1CCC(C)(C)C[C@H]1NC(CF)CF ZINC000894874924 583540773 /nfs/dbraw/zinc/54/07/73/583540773.db2.gz ZNQAFUYBHRERQM-GXSJLCMTSA-N 0 3 219.319 3.098 20 0 BGADHN C[C@@H]1CCC(C)(C)C[C@@H]1NC(CF)CF ZINC000894874925 583540908 /nfs/dbraw/zinc/54/09/08/583540908.db2.gz ZNQAFUYBHRERQM-KOLCDFICSA-N 0 3 219.319 3.098 20 0 BGADHN C[C@@H]1CCC(C)(C)C[C@H]1NC(CF)CF ZINC000894874926 583541038 /nfs/dbraw/zinc/54/10/38/583541038.db2.gz ZNQAFUYBHRERQM-MWLCHTKSSA-N 0 3 219.319 3.098 20 0 BGADHN C[C@H]1CCC(C)(C)C[C@@H]1NC(CF)CF ZINC000894874927 583540870 /nfs/dbraw/zinc/54/08/70/583540870.db2.gz ZNQAFUYBHRERQM-ONGXEEELSA-N 0 3 219.319 3.098 20 0 BGADHN CCC1(NCc2nccc3ccccc32)CC1 ZINC000894877695 583542201 /nfs/dbraw/zinc/54/22/01/583542201.db2.gz HQUSKBJODVOCMX-UHFFFAOYSA-N 0 3 226.323 3.267 20 0 BGADHN CC(C)=CCC[C@@H](C)NCc1ocnc1C ZINC000894880702 583543696 /nfs/dbraw/zinc/54/36/96/583543696.db2.gz NKROBQCDFKYMFJ-LLVKDONJSA-N 0 3 222.332 3.208 20 0 BGADHN CC(C)=CCC[C@H](C)NCc1ocnc1C ZINC000894880703 583543882 /nfs/dbraw/zinc/54/38/82/583543882.db2.gz NKROBQCDFKYMFJ-NSHDSACASA-N 0 3 222.332 3.208 20 0 BGADHN C[C@@H]([NH2+]Cc1cc2c(cccc2[O-])s1)C1CC1 ZINC000894880909 583543725 /nfs/dbraw/zinc/54/37/25/583543725.db2.gz PYFWQHMHNWMSPR-SECBINFHSA-N 0 3 247.363 3.495 20 0 BGADHN c1cc(CN2CC[C@H]2C2CC2)c2c(c1)CCCN2 ZINC000894883204 583545132 /nfs/dbraw/zinc/54/51/32/583545132.db2.gz SUPFDMBQKRGJFF-HNNXBMFYSA-N 0 3 242.366 3.029 20 0 BGADHN c1cc(CN2CC[C@@H]2C2CC2)c2c(c1)CCCN2 ZINC000894883206 583545462 /nfs/dbraw/zinc/54/54/62/583545462.db2.gz SUPFDMBQKRGJFF-OAHLLOKOSA-N 0 3 242.366 3.029 20 0 BGADHN CCC[C@@H](NCc1ocnc1C)C(C)(C)C ZINC000894890199 583547865 /nfs/dbraw/zinc/54/78/65/583547865.db2.gz ZLILMBMYTUBNOA-GFCCVEGCSA-N 0 3 224.348 3.287 20 0 BGADHN CCC[C@H](NCc1ocnc1C)C(C)(C)C ZINC000894890200 583548051 /nfs/dbraw/zinc/54/80/51/583548051.db2.gz ZLILMBMYTUBNOA-LBPRGKRZSA-N 0 3 224.348 3.287 20 0 BGADHN Cc1ncoc1CNCC1CCCCCC1 ZINC000894899077 583550737 /nfs/dbraw/zinc/55/07/37/583550737.db2.gz OKBVGDZFAKFOPK-UHFFFAOYSA-N 0 3 222.332 3.043 20 0 BGADHN CC(C)c1c[nH]c(CNC23CCC(CC2)CC3)n1 ZINC000894904849 583553144 /nfs/dbraw/zinc/55/31/44/583553144.db2.gz ALODHXXQOXZIPN-UHFFFAOYSA-N 0 3 247.386 3.346 20 0 BGADHN Cc1coc(CN2C[C@H](C3CC3)[C@@H]2C2CC2)c1 ZINC000894904973 583552865 /nfs/dbraw/zinc/55/28/65/583552865.db2.gz BXJMQWWDKMOUOU-CABCVRRESA-N 0 3 231.339 3.208 20 0 BGADHN Cc1coc(CN2C[C@@H](C3CC3)[C@@H]2C2CC2)c1 ZINC000894904975 583552826 /nfs/dbraw/zinc/55/28/26/583552826.db2.gz BXJMQWWDKMOUOU-GJZGRUSLSA-N 0 3 231.339 3.208 20 0 BGADHN Cc1coc(CN2C[C@H](C3CC3)[C@H]2C2CC2)c1 ZINC000894904977 583552808 /nfs/dbraw/zinc/55/28/08/583552808.db2.gz BXJMQWWDKMOUOU-HUUCEWRRSA-N 0 3 231.339 3.208 20 0 BGADHN Cc1coc(CN2C[C@@H](C3CC3)[C@H]2C2CC2)c1 ZINC000894904979 583553002 /nfs/dbraw/zinc/55/30/02/583553002.db2.gz BXJMQWWDKMOUOU-LSDHHAIUSA-N 0 3 231.339 3.208 20 0 BGADHN CCC1(NCc2ocnc2C)CCCCC1 ZINC000894906501 583553694 /nfs/dbraw/zinc/55/36/94/583553694.db2.gz KTMYLVQNVDDNKB-UHFFFAOYSA-N 0 3 222.332 3.186 20 0 BGADHN Cc1n[nH]c(CN2C[C@@H](C(C)C)[C@H]2C(C)C)c1C ZINC000894908233 583554079 /nfs/dbraw/zinc/55/40/79/583554079.db2.gz DXBPXYVPXVKHJR-DZGCQCFKSA-N 0 3 249.402 3.139 20 0 BGADHN Cc1n[nH]c(CN2C[C@H](C(C)C)[C@@H]2C(C)C)c1C ZINC000894908234 583554116 /nfs/dbraw/zinc/55/41/16/583554116.db2.gz DXBPXYVPXVKHJR-HIFRSBDPSA-N 0 3 249.402 3.139 20 0 BGADHN Cc1n[nH]c(CN2C[C@H](C(C)C)[C@H]2C(C)C)c1C ZINC000894908235 583554418 /nfs/dbraw/zinc/55/44/18/583554418.db2.gz DXBPXYVPXVKHJR-UKRRQHHQSA-N 0 3 249.402 3.139 20 0 BGADHN Cc1n[nH]c(CN2C[C@@H](C(C)C)[C@@H]2C(C)C)c1C ZINC000894908236 583554125 /nfs/dbraw/zinc/55/41/25/583554125.db2.gz DXBPXYVPXVKHJR-ZFWWWQNUSA-N 0 3 249.402 3.139 20 0 BGADHN Cc1ncoc1CN1C[C@@H](C(C)C)[C@H]1C(C)C ZINC000894909380 583554901 /nfs/dbraw/zinc/55/49/01/583554901.db2.gz OPCTYVMJTJISOJ-GXTWGEPZSA-N 0 3 236.359 3.095 20 0 BGADHN Cc1ncoc1CN1C[C@@H](C(C)C)[C@@H]1C(C)C ZINC000894909383 583554927 /nfs/dbraw/zinc/55/49/27/583554927.db2.gz OPCTYVMJTJISOJ-JSGCOSHPSA-N 0 3 236.359 3.095 20 0 BGADHN Cc1ncoc1CN1C[C@H](C(C)C)[C@@H]1C(C)C ZINC000894909386 583554537 /nfs/dbraw/zinc/55/45/37/583554537.db2.gz OPCTYVMJTJISOJ-OCCSQVGLSA-N 0 3 236.359 3.095 20 0 BGADHN Cc1ncoc1CN1C[C@H](C(C)C)[C@H]1C(C)C ZINC000894909390 583554607 /nfs/dbraw/zinc/55/46/07/583554607.db2.gz OPCTYVMJTJISOJ-TZMCWYRMSA-N 0 3 236.359 3.095 20 0 BGADHN Cc1n[nH]c(CN2CCCCCCCC2)c1C ZINC000894913056 583555100 /nfs/dbraw/zinc/55/51/00/583555100.db2.gz ZPQCLNFSHXWHTB-UHFFFAOYSA-N 0 3 235.375 3.183 20 0 BGADHN CC[C@@H](NCc1ocnc1C)C1CCCC1 ZINC000894918014 583555675 /nfs/dbraw/zinc/55/56/75/583555675.db2.gz SLOYMQIJISUKNA-GFCCVEGCSA-N 0 3 222.332 3.041 20 0 BGADHN CC[C@H](NCc1ocnc1C)C1CCCC1 ZINC000894918015 583555437 /nfs/dbraw/zinc/55/54/37/583555437.db2.gz SLOYMQIJISUKNA-LBPRGKRZSA-N 0 3 222.332 3.041 20 0 BGADHN C[C@@H]1CC(C)(C)CN1Cc1cnn(C2CCC2)c1 ZINC000894919975 583555257 /nfs/dbraw/zinc/55/52/57/583555257.db2.gz BEJIRRLXVMQICJ-GFCCVEGCSA-N 0 3 247.386 3.229 20 0 BGADHN C[C@H]1CC(C)(C)CN1Cc1cnn(C2CCC2)c1 ZINC000894919976 583555786 /nfs/dbraw/zinc/55/57/86/583555786.db2.gz BEJIRRLXVMQICJ-LBPRGKRZSA-N 0 3 247.386 3.229 20 0 BGADHN C[C@@H]1CC(C)(C)CN1Cc1ccnn1C1CCC1 ZINC000894920721 583556348 /nfs/dbraw/zinc/55/63/48/583556348.db2.gz FJLRHFWMOVJNNZ-GFCCVEGCSA-N 0 3 247.386 3.229 20 0 BGADHN C[C@H]1CC(C)(C)CN1Cc1ccnn1C1CCC1 ZINC000894920722 583556374 /nfs/dbraw/zinc/55/63/74/583556374.db2.gz FJLRHFWMOVJNNZ-LBPRGKRZSA-N 0 3 247.386 3.229 20 0 BGADHN C[C@H]1CC(C)(C)CN1Cc1cn2ccnc2s1 ZINC000894920792 583555953 /nfs/dbraw/zinc/55/59/53/583555953.db2.gz GUKMNDQLPJMXHI-JTQLQIEISA-N 0 3 249.383 3.016 20 0 BGADHN C[C@@H]1CC(C)(C)CN1Cc1cn2ccnc2s1 ZINC000894920995 583556232 /nfs/dbraw/zinc/55/62/32/583556232.db2.gz GUKMNDQLPJMXHI-SNVBAGLBSA-N 0 3 249.383 3.016 20 0 BGADHN Cc1cc(F)ncc1CN1CC(C)(C)C[C@H]1C ZINC000894922333 583556779 /nfs/dbraw/zinc/55/67/79/583556779.db2.gz PXUVUNAXFOTAFK-LLVKDONJSA-N 0 3 236.334 3.150 20 0 BGADHN Cc1cc(F)ncc1CN1CC(C)(C)C[C@@H]1C ZINC000894922334 583556605 /nfs/dbraw/zinc/55/66/05/583556605.db2.gz PXUVUNAXFOTAFK-NSHDSACASA-N 0 3 236.334 3.150 20 0 BGADHN CCN(Cc1cn(CC)nc1C)C1CC(C)(C)C1 ZINC000894924469 583557006 /nfs/dbraw/zinc/55/70/06/583557006.db2.gz UNRIBCUCPVGFKE-UHFFFAOYSA-N 0 3 249.402 3.222 20 0 BGADHN Cc1cc(CN2CC(C)(C)C[C@H]2C)cnc1F ZINC000894925534 583556644 /nfs/dbraw/zinc/55/66/44/583556644.db2.gz NCBLNCPXUITEMR-LLVKDONJSA-N 0 3 236.334 3.150 20 0 BGADHN Cc1cc(CN2CC(C)(C)C[C@@H]2C)cnc1F ZINC000894925535 583556705 /nfs/dbraw/zinc/55/67/05/583556705.db2.gz NCBLNCPXUITEMR-NSHDSACASA-N 0 3 236.334 3.150 20 0 BGADHN CC[C@@H]1CC[C@H](C)N(Cc2[nH]nc(C)c2C)C1 ZINC000894934441 583557944 /nfs/dbraw/zinc/55/79/44/583557944.db2.gz NUGMMDPFYHAUAC-GXFFZTMASA-N 0 3 235.375 3.037 20 0 BGADHN Cc1cc(CN2CC[C@H](C3CCC3)C2)cnc1F ZINC000894948027 583557414 /nfs/dbraw/zinc/55/74/14/583557414.db2.gz JLTMLAMBYFRWSW-AWEZNQCLSA-N 0 3 248.345 3.151 20 0 BGADHN Cc1cc(CN2CC[C@@H](C3CCC3)C2)cnc1F ZINC000894948028 583557339 /nfs/dbraw/zinc/55/73/39/583557339.db2.gz JLTMLAMBYFRWSW-CQSZACIVSA-N 0 3 248.345 3.151 20 0 BGADHN Cc1cc(F)ncc1CN1CC[C@@H](C2CCC2)C1 ZINC000894949842 583559157 /nfs/dbraw/zinc/55/91/57/583559157.db2.gz UMEIILNXKRUAFE-CYBMUJFWSA-N 0 3 248.345 3.151 20 0 BGADHN Cc1cc(F)ncc1CN1CC[C@H](C2CCC2)C1 ZINC000894949844 583558997 /nfs/dbraw/zinc/55/89/97/583558997.db2.gz UMEIILNXKRUAFE-ZDUSSCGKSA-N 0 3 248.345 3.151 20 0 BGADHN Cc1ncoc1CN[C@@H](C)[C@@H]1CCC[C@H](C)C1 ZINC000894950449 583559147 /nfs/dbraw/zinc/55/91/47/583559147.db2.gz SKNLJQYBACVWJK-GMXVVIOVSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1ncoc1CN[C@@H](C)[C@H]1CCC[C@H](C)C1 ZINC000894950450 583559004 /nfs/dbraw/zinc/55/90/04/583559004.db2.gz SKNLJQYBACVWJK-GVXVVHGQSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1ncoc1CN[C@@H](C)[C@H]1CCC[C@@H](C)C1 ZINC000894950451 583559529 /nfs/dbraw/zinc/55/95/29/583559529.db2.gz SKNLJQYBACVWJK-MDZLAQPJSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1ncoc1CN[C@@H](C)[C@@H]1CCC[C@@H](C)C1 ZINC000894950452 583559430 /nfs/dbraw/zinc/55/94/30/583559430.db2.gz SKNLJQYBACVWJK-NTZNESFSSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1ncoc1CN1CC[C@H](CC(C)(C)C)C1 ZINC000894952452 583559801 /nfs/dbraw/zinc/55/98/01/583559801.db2.gz LAEHGKOCAUCVQZ-GFCCVEGCSA-N 0 3 236.359 3.241 20 0 BGADHN Cc1ncoc1CN1CC[C@@H](CC(C)(C)C)C1 ZINC000894952453 583559716 /nfs/dbraw/zinc/55/97/16/583559716.db2.gz LAEHGKOCAUCVQZ-LBPRGKRZSA-N 0 3 236.359 3.241 20 0 BGADHN Cc1cc(F)ncc1CN1C[C@H](C)[C@@H](C)[C@H]1C ZINC000894953060 583560156 /nfs/dbraw/zinc/56/01/56/583560156.db2.gz DHCLBQRBQJVSAX-QJPTWQEYSA-N 0 3 236.334 3.005 20 0 BGADHN Cc1cc(F)ncc1CN1C[C@H](C)[C@H](C)[C@H]1C ZINC000894953063 583559915 /nfs/dbraw/zinc/55/99/15/583559915.db2.gz DHCLBQRBQJVSAX-SDDRHHMPSA-N 0 3 236.334 3.005 20 0 BGADHN Cc1cc(F)ncc1CN1C[C@H](C)[C@H](C)[C@@H]1C ZINC000894953066 583559887 /nfs/dbraw/zinc/55/98/87/583559887.db2.gz DHCLBQRBQJVSAX-SRVKXCTJSA-N 0 3 236.334 3.005 20 0 BGADHN Cc1cc(F)ncc1CN1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000894953069 583560124 /nfs/dbraw/zinc/56/01/24/583560124.db2.gz DHCLBQRBQJVSAX-TUAOUCFPSA-N 0 3 236.334 3.005 20 0 BGADHN CC[C@@H](NCc1nccn1C1CC1)[C@H]1CC1(C)C ZINC000894956908 583559472 /nfs/dbraw/zinc/55/94/72/583559472.db2.gz XZALUHSLRFITKB-CHWSQXEVSA-N 0 3 247.386 3.132 20 0 BGADHN CC[C@H](NCc1nccn1C1CC1)[C@H]1CC1(C)C ZINC000894956912 583558969 /nfs/dbraw/zinc/55/89/69/583558969.db2.gz XZALUHSLRFITKB-OLZOCXBDSA-N 0 3 247.386 3.132 20 0 BGADHN CC[C@@H](NCc1nccn1C1CC1)[C@@H]1CC1(C)C ZINC000894956914 583559466 /nfs/dbraw/zinc/55/94/66/583559466.db2.gz XZALUHSLRFITKB-QWHCGFSZSA-N 0 3 247.386 3.132 20 0 BGADHN CC[C@H](NCc1nccn1C1CC1)[C@@H]1CC1(C)C ZINC000894956919 583559403 /nfs/dbraw/zinc/55/94/03/583559403.db2.gz XZALUHSLRFITKB-STQMWFEESA-N 0 3 247.386 3.132 20 0 BGADHN Cc1ncoc1CN1CC2(CCCC2)[C@@H]1C(C)C ZINC000894956924 583559131 /nfs/dbraw/zinc/55/91/31/583559131.db2.gz LYHSCRWTXZJJRP-AWEZNQCLSA-N 0 3 248.370 3.384 20 0 BGADHN Cc1ncoc1CN1CC2(CCCC2)[C@H]1C(C)C ZINC000894956925 583559179 /nfs/dbraw/zinc/55/91/79/583559179.db2.gz LYHSCRWTXZJJRP-CQSZACIVSA-N 0 3 248.370 3.384 20 0 BGADHN Cc1cc(CN2C[C@H](C)[C@@H](C)[C@H]2C)cnc1F ZINC000894957393 583559173 /nfs/dbraw/zinc/55/91/73/583559173.db2.gz HCTOTIZGUJSDQJ-QJPTWQEYSA-N 0 3 236.334 3.005 20 0 BGADHN Cc1cc(CN2C[C@H](C)[C@H](C)[C@H]2C)cnc1F ZINC000894957394 583559081 /nfs/dbraw/zinc/55/90/81/583559081.db2.gz HCTOTIZGUJSDQJ-SDDRHHMPSA-N 0 3 236.334 3.005 20 0 BGADHN Cc1cc(CN2C[C@H](C)[C@H](C)[C@@H]2C)cnc1F ZINC000894957395 583559318 /nfs/dbraw/zinc/55/93/18/583559318.db2.gz HCTOTIZGUJSDQJ-SRVKXCTJSA-N 0 3 236.334 3.005 20 0 BGADHN Cc1cc(CN2C[C@H](C)[C@@H](C)[C@@H]2C)cnc1F ZINC000894957396 583559152 /nfs/dbraw/zinc/55/91/52/583559152.db2.gz HCTOTIZGUJSDQJ-TUAOUCFPSA-N 0 3 236.334 3.005 20 0 BGADHN C[C@@H]1CN(Cc2cnn(C3CCC3)c2)[C@@H](C)[C@H]1C ZINC000894959543 583559184 /nfs/dbraw/zinc/55/91/84/583559184.db2.gz YCRBNOOZWSALOM-AGIUHOORSA-N 0 3 247.386 3.084 20 0 BGADHN C[C@@H]1[C@@H](C)[C@H](C)CN1Cc1cnn(C2CCC2)c1 ZINC000894959544 583559374 /nfs/dbraw/zinc/55/93/74/583559374.db2.gz YCRBNOOZWSALOM-FRRDWIJNSA-N 0 3 247.386 3.084 20 0 BGADHN C[C@H]1[C@@H](C)N(Cc2cnn(C3CCC3)c2)C[C@H]1C ZINC000894959545 583559209 /nfs/dbraw/zinc/55/92/09/583559209.db2.gz YCRBNOOZWSALOM-JHJVBQTASA-N 0 3 247.386 3.084 20 0 BGADHN C[C@@H]1[C@H](C)CN(Cc2cnn(C3CCC3)c2)[C@H]1C ZINC000894959546 583559487 /nfs/dbraw/zinc/55/94/87/583559487.db2.gz YCRBNOOZWSALOM-UPJWGTAASA-N 0 3 247.386 3.084 20 0 BGADHN C[C@@H]1CN(Cc2ccnn2C2CCC2)[C@@H](C)[C@H]1C ZINC000894959575 583559016 /nfs/dbraw/zinc/55/90/16/583559016.db2.gz YWIZXTJWBKLMLD-AGIUHOORSA-N 0 3 247.386 3.084 20 0 BGADHN C[C@@H]1[C@@H](C)[C@H](C)CN1Cc1ccnn1C1CCC1 ZINC000894959576 583558879 /nfs/dbraw/zinc/55/88/79/583558879.db2.gz YWIZXTJWBKLMLD-FRRDWIJNSA-N 0 3 247.386 3.084 20 0 BGADHN C[C@H]1[C@@H](C)N(Cc2ccnn2C2CCC2)C[C@H]1C ZINC000894959577 583559062 /nfs/dbraw/zinc/55/90/62/583559062.db2.gz YWIZXTJWBKLMLD-JHJVBQTASA-N 0 3 247.386 3.084 20 0 BGADHN C[C@@H]1[C@H](C)CN(Cc2ccnn2C2CCC2)[C@H]1C ZINC000894959578 583559118 /nfs/dbraw/zinc/55/91/18/583559118.db2.gz YWIZXTJWBKLMLD-UPJWGTAASA-N 0 3 247.386 3.084 20 0 BGADHN Cc1ncoc1CNCC1(C2CCC2)CCC1 ZINC000894967723 583560473 /nfs/dbraw/zinc/56/04/73/583560473.db2.gz QOFSCHGFOXVTND-UHFFFAOYSA-N 0 3 234.343 3.043 20 0 BGADHN Cc1ncoc1CNCC(C)(C)C1=CCCC1 ZINC000894968607 583560775 /nfs/dbraw/zinc/56/07/75/583560775.db2.gz WAFDKJFXEWTHOV-UHFFFAOYSA-N 0 3 234.343 3.209 20 0 BGADHN Cc1ncoc1CN[C@@]1(C)CCCC[C@@H]1C ZINC000894970478 583560426 /nfs/dbraw/zinc/56/04/26/583560426.db2.gz ZRUFHBNKVZLILY-GWCFXTLKSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1ncoc1CN[C@]1(C)CCCC[C@@H]1C ZINC000894970479 583560770 /nfs/dbraw/zinc/56/07/70/583560770.db2.gz ZRUFHBNKVZLILY-GXFFZTMASA-N 0 3 222.332 3.041 20 0 BGADHN Cc1ncoc1CN[C@@]1(C)CCCC[C@H]1C ZINC000894970480 583560732 /nfs/dbraw/zinc/56/07/32/583560732.db2.gz ZRUFHBNKVZLILY-MFKMUULPSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1ncoc1CN[C@]1(C)CCCC[C@H]1C ZINC000894970481 583560716 /nfs/dbraw/zinc/56/07/16/583560716.db2.gz ZRUFHBNKVZLILY-ZWNOBZJWSA-N 0 3 222.332 3.041 20 0 BGADHN Cc1[nH]nc(CN2CC(C3CCCCC3)C2)c1C ZINC000894977762 583563233 /nfs/dbraw/zinc/56/32/33/583563233.db2.gz ZJCAHJXNZZSEDG-UHFFFAOYSA-N 0 3 247.386 3.039 20 0 BGADHN CC(C)[C@@H]1N(Cc2cnc[nH]2)CC12CCCCC2 ZINC000894984153 583564706 /nfs/dbraw/zinc/56/47/06/583564706.db2.gz IHUVRWLXLZLPIO-AWEZNQCLSA-N 0 3 247.386 3.200 20 0 BGADHN CC(C)[C@@H]1N(Cc2c[nH]cn2)CC12CCCCC2 ZINC000894984153 583564704 /nfs/dbraw/zinc/56/47/04/583564704.db2.gz IHUVRWLXLZLPIO-AWEZNQCLSA-N 0 3 247.386 3.200 20 0 BGADHN CC(C)[C@H]1N(Cc2cnc[nH]2)CC12CCCCC2 ZINC000894984154 583564612 /nfs/dbraw/zinc/56/46/12/583564612.db2.gz IHUVRWLXLZLPIO-CQSZACIVSA-N 0 3 247.386 3.200 20 0 BGADHN CC(C)[C@H]1N(Cc2c[nH]cn2)CC12CCCCC2 ZINC000894984154 583564610 /nfs/dbraw/zinc/56/46/10/583564610.db2.gz IHUVRWLXLZLPIO-CQSZACIVSA-N 0 3 247.386 3.200 20 0 BGADHN CCC[C@@H](NCc1ocnc1C)C1CCCC1 ZINC000894984506 583564768 /nfs/dbraw/zinc/56/47/68/583564768.db2.gz JSHULHZHUCPYSY-CYBMUJFWSA-N 0 3 236.359 3.432 20 0 BGADHN CCC[C@H](NCc1ocnc1C)C1CCCC1 ZINC000894984507 583564207 /nfs/dbraw/zinc/56/42/07/583564207.db2.gz JSHULHZHUCPYSY-ZDUSSCGKSA-N 0 3 236.359 3.432 20 0 BGADHN CCC[C@@H](NCc1ocnc1C)C1CCC1 ZINC000894985584 583564600 /nfs/dbraw/zinc/56/46/00/583564600.db2.gz RTIYXJMNSLNQHG-GFCCVEGCSA-N 0 3 222.332 3.041 20 0 BGADHN CCC[C@H](NCc1ocnc1C)C1CCC1 ZINC000894985585 583564559 /nfs/dbraw/zinc/56/45/59/583564559.db2.gz RTIYXJMNSLNQHG-LBPRGKRZSA-N 0 3 222.332 3.041 20 0 BGADHN CCN(Cc1n[nH]c(C)c1C)C1CC(C)(C)C1 ZINC000895000166 583567227 /nfs/dbraw/zinc/56/72/27/583567227.db2.gz SRNCRKBMGUIXNC-UHFFFAOYSA-N 0 3 235.375 3.037 20 0 BGADHN CCN(Cc1[nH]nc(C)c1C)C1CC(C)(C)C1 ZINC000895000166 583567225 /nfs/dbraw/zinc/56/72/25/583567225.db2.gz SRNCRKBMGUIXNC-UHFFFAOYSA-N 0 3 235.375 3.037 20 0 BGADHN Cc1ncoc1CN[C@H]1CCC[C@H]1C(C)(C)C ZINC000895000463 583567631 /nfs/dbraw/zinc/56/76/31/583567631.db2.gz WZTFJHITNBVSCW-NEPJUHHUSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1ncoc1CN[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000895000464 583567482 /nfs/dbraw/zinc/56/74/82/583567482.db2.gz WZTFJHITNBVSCW-NWDGAFQWSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1ncoc1CN[C@H]1CCC[C@@H]1C(C)(C)C ZINC000895000465 583567417 /nfs/dbraw/zinc/56/74/17/583567417.db2.gz WZTFJHITNBVSCW-RYUDHWBXSA-N 0 3 236.359 3.287 20 0 BGADHN Cc1ncoc1CN[C@@H]1CCC[C@H]1C(C)(C)C ZINC000895000466 583567265 /nfs/dbraw/zinc/56/72/65/583567265.db2.gz WZTFJHITNBVSCW-VXGBXAGGSA-N 0 3 236.359 3.287 20 0 BGADHN CCc1onc(C)c1CNC[C@@H]1C[C@H]1C1CCC1 ZINC000895006389 583566234 /nfs/dbraw/zinc/56/62/34/583566234.db2.gz PFCVQMGYROXVKQ-STQMWFEESA-N 0 3 248.370 3.071 20 0 BGADHN [O-]c1ccc(C[NH2+]C[C@@H]2C[C@H]2C2CCC2)cc1F ZINC000895007094 636015315 /nfs/dbraw/zinc/01/53/15/636015315.db2.gz YBDGTJAUACIFAP-STQMWFEESA-N 0 3 249.329 3.057 20 0 BGADHN Fc1cc(CN[C@@H]2CC23CC3)ccc1C(F)F ZINC000895009094 583567607 /nfs/dbraw/zinc/56/76/07/583567607.db2.gz QMFRSVUOLGILSJ-LLVKDONJSA-N 0 3 241.256 3.405 20 0 BGADHN Fc1cc(CN[C@H]2CC23CC3)ccc1C(F)F ZINC000895009095 583567645 /nfs/dbraw/zinc/56/76/45/583567645.db2.gz QMFRSVUOLGILSJ-NSHDSACASA-N 0 3 241.256 3.405 20 0 BGADHN C[C@@H]1CCN(Cc2cn3ccnc3s2)[C@H](C)C1 ZINC000895009331 583567209 /nfs/dbraw/zinc/56/72/09/583567209.db2.gz BZVQVGJZMLFMIZ-GHMZBOCLSA-N 0 3 249.383 3.016 20 0 BGADHN C[C@@H]1CCN(Cc2cnn(C3CCC3)c2)[C@H](C)C1 ZINC000895009333 583567271 /nfs/dbraw/zinc/56/72/71/583567271.db2.gz CBOMODGWWCDKTC-CHWSQXEVSA-N 0 3 247.386 3.229 20 0 BGADHN Cc1cc(CN2CC[C@@H](C)C[C@H]2C)cnc1F ZINC000895009583 583567164 /nfs/dbraw/zinc/56/71/64/583567164.db2.gz FHXDBSGXACOSSJ-ZYHUDNBSSA-N 0 3 236.334 3.150 20 0 BGADHN C[C@@H]1CCN(Cc2ccnn2C2CCC2)[C@H](C)C1 ZINC000895010110 583567349 /nfs/dbraw/zinc/56/73/49/583567349.db2.gz OXTYWZBQXXKGPJ-CHWSQXEVSA-N 0 3 247.386 3.229 20 0 BGADHN Cc1cc(F)ncc1CN1CC[C@@H](C)C[C@H]1C ZINC000895010186 583567185 /nfs/dbraw/zinc/56/71/85/583567185.db2.gz QZCWFALOZXRQHU-ZYHUDNBSSA-N 0 3 236.334 3.150 20 0 BGADHN Cc1nc(CN[C@@H]2C[C@H]2C2CCC2)sc1C ZINC000895010861 583568181 /nfs/dbraw/zinc/56/81/81/583568181.db2.gz WTWQWXXPGJZUTN-NWDGAFQWSA-N 0 3 236.384 3.038 20 0 BGADHN Cc1coc(CN2CCC(OC3CCC3)CC2)c1 ZINC000895024835 583570838 /nfs/dbraw/zinc/57/08/38/583570838.db2.gz OQBBNGHGXXGKGD-UHFFFAOYSA-N 0 3 249.354 3.122 20 0 BGADHN [O-]c1cccc2sc(C[NH2+][C@@H]3CC34CC4)cc21 ZINC000895053399 583574548 /nfs/dbraw/zinc/57/45/48/583574548.db2.gz IIDRZDLRLNFFRG-CYBMUJFWSA-N 0 3 245.347 3.249 20 0 BGADHN [O-]c1cccc2sc(C[NH2+][C@H]3CC34CC4)cc21 ZINC000895053400 583574368 /nfs/dbraw/zinc/57/43/68/583574368.db2.gz IIDRZDLRLNFFRG-ZDUSSCGKSA-N 0 3 245.347 3.249 20 0 BGADHN Cc1ncoc1CN1CC2(CC=CC2)[C@@H]1C(C)C ZINC000895082495 583583346 /nfs/dbraw/zinc/58/33/46/583583346.db2.gz FSSXTHKWXQUEKH-AWEZNQCLSA-N 0 3 246.354 3.160 20 0 BGADHN Cc1ncoc1CN1CC2(CC=CC2)[C@H]1C(C)C ZINC000895082496 583583279 /nfs/dbraw/zinc/58/32/79/583583279.db2.gz FSSXTHKWXQUEKH-CQSZACIVSA-N 0 3 246.354 3.160 20 0 BGADHN Cc1cc(F)ncc1CN1CC[C@@H]2CCCC[C@@H]21 ZINC000895085941 583584282 /nfs/dbraw/zinc/58/42/82/583584282.db2.gz LKCBTHLGGJCMLM-JSGCOSHPSA-N 0 3 248.345 3.294 20 0 BGADHN CSc1ccc(CN(C)C(C)(C)C)o1 ZINC000895086470 583585063 /nfs/dbraw/zinc/58/50/63/583585063.db2.gz RQFKWCMMOBUNIY-UHFFFAOYSA-N 0 3 213.346 3.232 20 0 BGADHN CCN(CCSC)Cc1ccc(SC)o1 ZINC000895088080 583585693 /nfs/dbraw/zinc/58/56/93/583585693.db2.gz HHLQUMLWAFSMAP-UHFFFAOYSA-N 0 3 245.413 3.186 20 0 BGADHN Cc1cc(CN2CC[C@@H]3CCCC[C@@H]32)cnc1F ZINC000895089050 583585493 /nfs/dbraw/zinc/58/54/93/583585493.db2.gz VYEOFNJMQBWQJS-KBPBESRZSA-N 0 3 248.345 3.294 20 0 BGADHN Cc1n[nH]c(CN2CCCC[C@H]2C2CCC2)c1C ZINC000895089526 583585383 /nfs/dbraw/zinc/58/53/83/583585383.db2.gz NENQLYKJUNXIPA-HNNXBMFYSA-N 0 3 247.386 3.181 20 0 BGADHN Cc1n[nH]c(CN2CCCC[C@@H]2C2CCC2)c1C ZINC000895089528 583585394 /nfs/dbraw/zinc/58/53/94/583585394.db2.gz NENQLYKJUNXIPA-OAHLLOKOSA-N 0 3 247.386 3.181 20 0 BGADHN CCOc1ccc(CNC[C@H](C)CC(F)F)o1 ZINC000895092003 583586976 /nfs/dbraw/zinc/58/69/76/583586976.db2.gz UNRFSFNEXOXSBG-SECBINFHSA-N 0 3 247.285 3.059 20 0 BGADHN CCOc1ccc(CNC[C@@H](C)CC(F)F)o1 ZINC000895092004 583587262 /nfs/dbraw/zinc/58/72/62/583587262.db2.gz UNRFSFNEXOXSBG-VIFPVBQESA-N 0 3 247.285 3.059 20 0 BGADHN CCn1cc(CN(C)CCC(C)(C)C)c(C)n1 ZINC000895106421 583589849 /nfs/dbraw/zinc/58/98/49/583589849.db2.gz GAKAOBIDHVSZRH-UHFFFAOYSA-N 0 3 237.391 3.079 20 0 BGADHN CN(CCC(C)(C)C)Cc1cn(C)nc1C1CC1 ZINC000895106868 583589823 /nfs/dbraw/zinc/58/98/23/583589823.db2.gz IIORHPGKIBLNEL-UHFFFAOYSA-N 0 3 249.402 3.166 20 0 BGADHN CN(CCC(C)(C)C)Cc1cnn(C2CCC2)c1 ZINC000895107736 583589734 /nfs/dbraw/zinc/58/97/34/583589734.db2.gz OASIEWHRDPZDHH-UHFFFAOYSA-N 0 3 249.402 3.476 20 0 BGADHN CN(CCC(C)(C)C)Cc1ccnn1C1CCC1 ZINC000895108763 583590289 /nfs/dbraw/zinc/59/02/89/583590289.db2.gz VFMBYRCNRHRRDF-UHFFFAOYSA-N 0 3 249.402 3.476 20 0 BGADHN COc1ccc(CN(C)CCC(C)(C)C)o1 ZINC000895108878 583590280 /nfs/dbraw/zinc/59/02/80/583590280.db2.gz WRGUPXDHRDKTIA-UHFFFAOYSA-N 0 3 225.332 3.156 20 0 BGADHN Cc1coc(CN2CCC23CCCC3)c1 ZINC000895133043 583601450 /nfs/dbraw/zinc/60/14/50/583601450.db2.gz BMRSHCZSJGDBOR-UHFFFAOYSA-N 0 3 205.301 3.107 20 0 BGADHN Cc1coc(CN2CCC3(CC3(F)F)CC2)c1 ZINC000895137469 583602257 /nfs/dbraw/zinc/60/22/57/583602257.db2.gz VFXHBGKBTOBYCJ-UHFFFAOYSA-N 0 3 241.281 3.209 20 0 BGADHN c1cc(CN2CCC23CCCC3)n(C2CCC2)n1 ZINC000895138573 583602674 /nfs/dbraw/zinc/60/26/74/583602674.db2.gz ORVIKTWXDLHOLR-UHFFFAOYSA-N 0 3 245.370 3.127 20 0 BGADHN c1nn(C2CCC2)cc1CN1CCC12CCCC2 ZINC000895138963 583602602 /nfs/dbraw/zinc/60/26/02/583602602.db2.gz WMWLFQRNVIBBBW-UHFFFAOYSA-N 0 3 245.370 3.127 20 0 BGADHN Cc1ncoc1CN[C@@H](C)[C@H]1CC2CCC1CC2 ZINC000895151029 583606681 /nfs/dbraw/zinc/60/66/81/583606681.db2.gz QQLWUOGLCXQOET-KWCMIHLGSA-N 0 3 248.370 3.287 20 0 BGADHN Cc1ncoc1CN[C@H](C)[C@@H]1CC2CCC1CC2 ZINC000895151031 583606874 /nfs/dbraw/zinc/60/68/74/583606874.db2.gz QQLWUOGLCXQOET-OFVDZJKFSA-N 0 3 248.370 3.287 20 0 BGADHN Cc1ncoc1CN[C@@H](C)[C@@H]1CC2CCC1CC2 ZINC000895151034 583606804 /nfs/dbraw/zinc/60/68/04/583606804.db2.gz QQLWUOGLCXQOET-RSUZKEPVSA-N 0 3 248.370 3.287 20 0 BGADHN Cc1ncoc1CN[C@H](C)[C@H]1CC2CCC1CC2 ZINC000895151036 583606888 /nfs/dbraw/zinc/60/68/88/583606888.db2.gz QQLWUOGLCXQOET-WKIYYKSKSA-N 0 3 248.370 3.287 20 0 BGADHN Clc1ncc(CN[C@@H]2CCC23CCC3)s1 ZINC000895151170 583606569 /nfs/dbraw/zinc/60/65/69/583606569.db2.gz IYNNXTSDSRDZFL-SECBINFHSA-N 0 3 242.775 3.219 20 0 BGADHN Clc1ncc(CN[C@H]2CCC23CCC3)s1 ZINC000895151171 583606423 /nfs/dbraw/zinc/60/64/23/583606423.db2.gz IYNNXTSDSRDZFL-VIFPVBQESA-N 0 3 242.775 3.219 20 0 BGADHN Clc1ncc(CN[C@@H]2CC[C@@H]2C2CC2)s1 ZINC000895153545 583607267 /nfs/dbraw/zinc/60/72/67/583607267.db2.gz OYNUZTVXFPLCPC-NXEZZACHSA-N 0 3 242.775 3.075 20 0 BGADHN Clc1ncc(CN[C@H]2CC[C@H]2C2CC2)s1 ZINC000895153546 583607324 /nfs/dbraw/zinc/60/73/24/583607324.db2.gz OYNUZTVXFPLCPC-UWVGGRQHSA-N 0 3 242.775 3.075 20 0 BGADHN Clc1ncc(CN[C@@H]2CC[C@H]2C2CC2)s1 ZINC000895153548 583607345 /nfs/dbraw/zinc/60/73/45/583607345.db2.gz OYNUZTVXFPLCPC-VHSXEESVSA-N 0 3 242.775 3.075 20 0 BGADHN Clc1ncc(CN[C@H]2CC[C@@H]2C2CC2)s1 ZINC000895153553 583607208 /nfs/dbraw/zinc/60/72/08/583607208.db2.gz OYNUZTVXFPLCPC-ZJUUUORDSA-N 0 3 242.775 3.075 20 0 BGADHN CC1=CC[C@@H](NCc2cnc(Cl)s2)CC1 ZINC000895154223 583607444 /nfs/dbraw/zinc/60/74/44/583607444.db2.gz WPCKCDTVQGGTLJ-SECBINFHSA-N 0 3 242.775 3.385 20 0 BGADHN CC1=CC[C@H](NCc2cnc(Cl)s2)CC1 ZINC000895154224 583607604 /nfs/dbraw/zinc/60/76/04/583607604.db2.gz WPCKCDTVQGGTLJ-VIFPVBQESA-N 0 3 242.775 3.385 20 0 BGADHN CC(C)[C@H]1CC[C@H]1NCc1cnc(Cl)s1 ZINC000895154228 583607507 /nfs/dbraw/zinc/60/75/07/583607507.db2.gz WSVOUCXFYJOBPF-NXEZZACHSA-N 0 3 244.791 3.321 20 0 BGADHN CC(C)[C@@H]1CC[C@@H]1NCc1cnc(Cl)s1 ZINC000895154230 583607588 /nfs/dbraw/zinc/60/75/88/583607588.db2.gz WSVOUCXFYJOBPF-UWVGGRQHSA-N 0 3 244.791 3.321 20 0 BGADHN CC(C)[C@@H]1CC[C@H]1NCc1cnc(Cl)s1 ZINC000895154233 583607612 /nfs/dbraw/zinc/60/76/12/583607612.db2.gz WSVOUCXFYJOBPF-VHSXEESVSA-N 0 3 244.791 3.321 20 0 BGADHN CC(C)[C@H]1CC[C@@H]1NCc1cnc(Cl)s1 ZINC000895154235 583607511 /nfs/dbraw/zinc/60/75/11/583607511.db2.gz WSVOUCXFYJOBPF-ZJUUUORDSA-N 0 3 244.791 3.321 20 0 BGADHN CCOc1ccc(CNC2(C3CCC3)CC2)o1 ZINC000895162502 583610741 /nfs/dbraw/zinc/61/07/41/583610741.db2.gz WJXXOXYBKMJSEO-UHFFFAOYSA-N 0 3 235.327 3.101 20 0 BGADHN CCOc1ccc(CN[C@H](C)C(C)(C)C)o1 ZINC000895181843 583618134 /nfs/dbraw/zinc/61/81/34/583618134.db2.gz MQVNDRMPJWZHIE-SNVBAGLBSA-N 0 3 225.332 3.203 20 0 BGADHN CC(C)CCCCN1C[C@H]2[C@@H](C1)C2(F)F ZINC000895184646 583619085 /nfs/dbraw/zinc/61/90/85/583619085.db2.gz GAOOYTPJJUIKAT-PHIMTYICSA-N 0 3 217.303 3.010 20 0 BGADHN CCOc1ccc(CNC2CC3(CCC3)C2)o1 ZINC000895185476 583619131 /nfs/dbraw/zinc/61/91/31/583619131.db2.gz NJJHOHLNGXCSKW-UHFFFAOYSA-N 0 3 235.327 3.101 20 0 BGADHN Cc1coc(CN2CCC[C@H](OC3CCC3)C2)c1 ZINC000895185989 583619160 /nfs/dbraw/zinc/61/91/60/583619160.db2.gz DDAYJRXBNRMGPS-AWEZNQCLSA-N 0 3 249.354 3.122 20 0 BGADHN Cc1coc(CN2CCC[C@@H](OC3CCC3)C2)c1 ZINC000895185991 583619108 /nfs/dbraw/zinc/61/91/08/583619108.db2.gz DDAYJRXBNRMGPS-CQSZACIVSA-N 0 3 249.354 3.122 20 0 BGADHN COCCCC1(CN2CCC[C@@H](F)C2)CCC1 ZINC000895191870 583621641 /nfs/dbraw/zinc/62/16/41/583621641.db2.gz TZBWPYDHRAITLT-CYBMUJFWSA-N 0 3 243.366 3.017 20 0 BGADHN COCCCC1(CN2CCC[C@H](F)C2)CCC1 ZINC000895191871 583621874 /nfs/dbraw/zinc/62/18/74/583621874.db2.gz TZBWPYDHRAITLT-ZDUSSCGKSA-N 0 3 243.366 3.017 20 0 BGADHN FC1(F)CC12CN(C[C@H]1CCc3ccccc31)C2 ZINC000895199098 583623738 /nfs/dbraw/zinc/62/37/38/583623738.db2.gz GXUDNCMDTCILFQ-GFCCVEGCSA-N 0 3 249.304 3.057 20 0 BGADHN FC1(F)CC12CN(C[C@@H]1CCc3ccccc31)C2 ZINC000895199099 583623783 /nfs/dbraw/zinc/62/37/83/583623783.db2.gz GXUDNCMDTCILFQ-LBPRGKRZSA-N 0 3 249.304 3.057 20 0 BGADHN CC1([NH2+]Cc2cc([O-])cc(Cl)c2)CC=CC1 ZINC000895202863 583624264 /nfs/dbraw/zinc/62/42/64/583624264.db2.gz SSPNELQLXZXGDZ-UHFFFAOYSA-N 0 3 237.730 3.244 20 0 BGADHN CCCN(Cc1cnn(C2CCC2)c1)C(C)C ZINC000895204602 583625228 /nfs/dbraw/zinc/62/52/28/583625228.db2.gz FNDJYZKPKMTFPM-UHFFFAOYSA-N 0 3 235.375 3.229 20 0 BGADHN CCCN(Cc1ccnn1C1CCC1)C(C)C ZINC000895204877 583625309 /nfs/dbraw/zinc/62/53/09/583625309.db2.gz IMFBOCHFPHYXPJ-UHFFFAOYSA-N 0 3 235.375 3.229 20 0 BGADHN CCCN(Cc1ccc(OCC)o1)C(C)C ZINC000895205734 583625659 /nfs/dbraw/zinc/62/56/59/583625659.db2.gz TUTVCOHFUAHLGG-UHFFFAOYSA-N 0 3 225.332 3.299 20 0 BGADHN CCCN(Cc1cnc(F)cc1C)C(C)C ZINC000895207010 583625350 /nfs/dbraw/zinc/62/53/50/583625350.db2.gz ZFYKZYYYIHPQAS-UHFFFAOYSA-N 0 3 224.323 3.150 20 0 BGADHN CCCN(Cc1cnc(F)c(C)c1)C(C)C ZINC000895207035 583625564 /nfs/dbraw/zinc/62/55/64/583625564.db2.gz ZHWBXQUMSMEEMR-UHFFFAOYSA-N 0 3 224.323 3.150 20 0 BGADHN Cc1ncoc1CNCC1C[C@H](C)C[C@@H](C)C1 ZINC000895247353 583632559 /nfs/dbraw/zinc/63/25/59/583632559.db2.gz ANAAHTZJVYUBMB-GHMZBOCLSA-N 0 3 236.359 3.145 20 0 BGADHN Cc1ncoc1CNC[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000895247354 583632581 /nfs/dbraw/zinc/63/25/81/583632581.db2.gz ANAAHTZJVYUBMB-PJXYFTJBSA-N 0 3 236.359 3.145 20 0 BGADHN Cc1ncoc1CNCC1C[C@@H](C)C[C@H](C)C1 ZINC000895247355 583632805 /nfs/dbraw/zinc/63/28/05/583632805.db2.gz ANAAHTZJVYUBMB-QWRGUYRKSA-N 0 3 236.359 3.145 20 0 BGADHN Cc1[nH]nc(CN2CCC(C3CCC3)CC2)c1C ZINC000895250998 583633293 /nfs/dbraw/zinc/63/32/93/583633293.db2.gz RISNATQNFPUPBN-UHFFFAOYSA-N 0 3 247.386 3.039 20 0 BGADHN Cc1n[nH]c(CN2CCC(C3CCC3)CC2)c1C ZINC000895250998 583633291 /nfs/dbraw/zinc/63/32/91/583633291.db2.gz RISNATQNFPUPBN-UHFFFAOYSA-N 0 3 247.386 3.039 20 0 BGADHN Cc1ncoc1CN1CC[C@H](C2CCCCC2)C1 ZINC000895258478 583634131 /nfs/dbraw/zinc/63/41/31/583634131.db2.gz DVBWSKDCOOXSOY-AWEZNQCLSA-N 0 3 248.370 3.385 20 0 BGADHN Cc1ncoc1CN1CC[C@@H](C2CCCCC2)C1 ZINC000895258479 583634355 /nfs/dbraw/zinc/63/43/55/583634355.db2.gz DVBWSKDCOOXSOY-CQSZACIVSA-N 0 3 248.370 3.385 20 0 BGADHN CCC1(CC)CCCN(Cc2ocnc2C)C1 ZINC000895275111 583635278 /nfs/dbraw/zinc/63/52/78/583635278.db2.gz RCTPIBAOZIQPMY-UHFFFAOYSA-N 0 3 236.359 3.385 20 0 BGADHN Cc1coc(CN2CCC[C@H](CCF)C2)c1 ZINC000895277104 583635130 /nfs/dbraw/zinc/63/51/30/583635130.db2.gz ZKNLYZHOHVSFBS-GFCCVEGCSA-N 0 3 225.307 3.160 20 0 BGADHN Cc1coc(CN2CCC[C@@H](CCF)C2)c1 ZINC000895277105 583635247 /nfs/dbraw/zinc/63/52/47/583635247.db2.gz ZKNLYZHOHVSFBS-LBPRGKRZSA-N 0 3 225.307 3.160 20 0 BGADHN CC1=NO[C@H](CNCc2cccc(C(C)C)c2)C1 ZINC000895302235 583644266 /nfs/dbraw/zinc/64/42/66/583644266.db2.gz RAOGMCRJYKKZFX-HNNXBMFYSA-N 0 3 246.354 3.064 20 0 BGADHN CC1=NO[C@@H](CNCc2cccc(C(C)C)c2)C1 ZINC000895302236 583644158 /nfs/dbraw/zinc/64/41/58/583644158.db2.gz RAOGMCRJYKKZFX-OAHLLOKOSA-N 0 3 246.354 3.064 20 0 BGADHN CC1=NO[C@H](CNCc2ccc(C(C)C)cc2)C1 ZINC000895310022 583646669 /nfs/dbraw/zinc/64/66/69/583646669.db2.gz FETFJYXNHPTROH-HNNXBMFYSA-N 0 3 246.354 3.064 20 0 BGADHN CC1=NO[C@@H](CNCc2ccc(C(C)C)cc2)C1 ZINC000895310023 583646481 /nfs/dbraw/zinc/64/64/81/583646481.db2.gz FETFJYXNHPTROH-OAHLLOKOSA-N 0 3 246.354 3.064 20 0 BGADHN CCC(C)(C)[C@H](C)NCc1ccc(OC)o1 ZINC000895329019 583651562 /nfs/dbraw/zinc/65/15/62/583651562.db2.gz BZCHAKVKDFEDFW-JTQLQIEISA-N 0 3 225.332 3.203 20 0 BGADHN CCC(C)(C)[C@@H](C)NCc1ccc(OC)o1 ZINC000895329020 583651710 /nfs/dbraw/zinc/65/17/10/583651710.db2.gz BZCHAKVKDFEDFW-SNVBAGLBSA-N 0 3 225.332 3.203 20 0 BGADHN Cc1n[nH]c(CN2CCC[C@H](C3CCC3)C2)c1C ZINC000895333697 583652832 /nfs/dbraw/zinc/65/28/32/583652832.db2.gz DIJHITHKAPSKAA-AWEZNQCLSA-N 0 3 247.386 3.039 20 0 BGADHN CCc1onc(C)c1CNCC[C@@H](C)CC ZINC000895333915 583652815 /nfs/dbraw/zinc/65/28/15/583652815.db2.gz KUVYOKZBFUURMS-JTQLQIEISA-N 0 3 224.348 3.071 20 0 BGADHN CCc1onc(C)c1CNCC[C@H](C)CC ZINC000895333916 583652727 /nfs/dbraw/zinc/65/27/27/583652727.db2.gz KUVYOKZBFUURMS-SNVBAGLBSA-N 0 3 224.348 3.071 20 0 BGADHN Cc1n[nH]c(CN2CCC[C@@H](C3CCC3)C2)c1C ZINC000895334011 583652839 /nfs/dbraw/zinc/65/28/39/583652839.db2.gz DIJHITHKAPSKAA-CQSZACIVSA-N 0 3 247.386 3.039 20 0 BGADHN CC(C)Cc1ccc(CN[C@H]2C=CCC2)cn1 ZINC000895337285 583653773 /nfs/dbraw/zinc/65/37/73/583653773.db2.gz HJORKNKGCXRXHW-AWEZNQCLSA-N 0 3 230.355 3.088 20 0 BGADHN CC(C)Cc1ccc(CN[C@@H]2C=CCC2)cn1 ZINC000895337286 583653746 /nfs/dbraw/zinc/65/37/46/583653746.db2.gz HJORKNKGCXRXHW-CQSZACIVSA-N 0 3 230.355 3.088 20 0 BGADHN Cc1cc(CN[C@H]2C=CCC2)c2c(n1)CCCC2 ZINC000895338651 583654122 /nfs/dbraw/zinc/65/41/22/583654122.db2.gz UGSUEAGCKRCDFX-AWEZNQCLSA-N 0 3 242.366 3.077 20 0 BGADHN Cc1cc(CN[C@@H]2C=CCC2)c2c(n1)CCCC2 ZINC000895338654 583653962 /nfs/dbraw/zinc/65/39/62/583653962.db2.gz UGSUEAGCKRCDFX-CQSZACIVSA-N 0 3 242.366 3.077 20 0 BGADHN Cc1n[nH]c(CN(CCC2CC2)CC2CC2)c1C ZINC000895340443 583654538 /nfs/dbraw/zinc/65/45/38/583654538.db2.gz SHHAMTDHAFZVLM-UHFFFAOYSA-N 0 3 247.386 3.039 20 0 BGADHN Cc1ncoc1CNC1CCC(C2CCC2)CC1 ZINC000895342589 583654746 /nfs/dbraw/zinc/65/47/46/583654746.db2.gz JDXTYKUTNXPUAR-UHFFFAOYSA-N 0 3 248.370 3.432 20 0 BGADHN CC(C)(F)CC[NH2+]Cc1cc([O-])cc(Cl)c1 ZINC000895371465 583661881 /nfs/dbraw/zinc/66/18/81/583661881.db2.gz YGDBFZWYXDUANJ-UHFFFAOYSA-N 0 3 245.725 3.273 20 0 BGADHN CCc1onc(C)c1CNC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000895377279 583661531 /nfs/dbraw/zinc/66/15/31/583661531.db2.gz KMRHIIKOAWXFOL-AGIUHOORSA-N 0 3 248.370 3.071 20 0 BGADHN CCc1onc(C)c1CNC[C@@H]1CCC[C@H]2C[C@H]21 ZINC000895377282 583661871 /nfs/dbraw/zinc/66/18/71/583661871.db2.gz KMRHIIKOAWXFOL-RWMBFGLXSA-N 0 3 248.370 3.071 20 0 BGADHN CCc1onc(C)c1CNCCCC1CCC1 ZINC000895380763 583662022 /nfs/dbraw/zinc/66/20/22/583662022.db2.gz NEXGZXJRQJOHMP-UHFFFAOYSA-N 0 3 236.359 3.215 20 0 BGADHN Cc1ncoc1CNCC[C@H]1CCCC1(C)C ZINC000895387807 583663554 /nfs/dbraw/zinc/66/35/54/583663554.db2.gz DCABVPOJJWTBJX-GFCCVEGCSA-N 0 3 236.359 3.289 20 0 BGADHN Cc1ncoc1CNCC[C@@H]1CCCC1(C)C ZINC000895387808 583663549 /nfs/dbraw/zinc/66/35/49/583663549.db2.gz DCABVPOJJWTBJX-LBPRGKRZSA-N 0 3 236.359 3.289 20 0 BGADHN Cc1ncoc1CNCC(C1CCC1)C1CCC1 ZINC000895390057 583663787 /nfs/dbraw/zinc/66/37/87/583663787.db2.gz QXLCPXFHQGQANO-UHFFFAOYSA-N 0 3 248.370 3.289 20 0 BGADHN Cc1coc(CN2CCCC(F)(F)CC2)c1 ZINC000895391909 583664199 /nfs/dbraw/zinc/66/41/99/583664199.db2.gz HLWJROPVKUNMGY-UHFFFAOYSA-N 0 3 229.270 3.209 20 0 BGADHN Cc1coc(CN2CC[C@H]3CC[C@@H](C2)S3)c1 ZINC000895392472 583664157 /nfs/dbraw/zinc/66/41/57/583664157.db2.gz QDQVJZWGNZTGRD-OLZOCXBDSA-N 0 3 237.368 3.058 20 0 BGADHN CCOc1ccc(CN[C@@](C)(CC)C2CC2)o1 ZINC000895397056 583665110 /nfs/dbraw/zinc/66/51/10/583665110.db2.gz VSXFDYZALCMDAY-AWEZNQCLSA-N 0 3 237.343 3.347 20 0 BGADHN CCOc1ccc(CN[C@](C)(CC)C2CC2)o1 ZINC000895397057 583665072 /nfs/dbraw/zinc/66/50/72/583665072.db2.gz VSXFDYZALCMDAY-CQSZACIVSA-N 0 3 237.343 3.347 20 0 BGADHN Cc1ncoc1CNC1(C)CCC(C)(C)CC1 ZINC000895402324 583665483 /nfs/dbraw/zinc/66/54/83/583665483.db2.gz KOCSNFMXRURZOF-UHFFFAOYSA-N 0 3 236.359 3.432 20 0 BGADHN C/C=C/C[C@@H]1CCCN(Cc2n[nH]c(C)c2C)C1 ZINC000895415041 583667405 /nfs/dbraw/zinc/66/74/05/583667405.db2.gz JNZODQSCMJFEAU-ISZGNANSSA-N 0 3 247.386 3.205 20 0 BGADHN C/C=C/C[C@@H]1CCCN(Cc2[nH]nc(C)c2C)C1 ZINC000895415041 583667404 /nfs/dbraw/zinc/66/74/04/583667404.db2.gz JNZODQSCMJFEAU-ISZGNANSSA-N 0 3 247.386 3.205 20 0 BGADHN C/C=C/C[C@H]1CCCN(Cc2n[nH]c(C)c2C)C1 ZINC000895415043 583667680 /nfs/dbraw/zinc/66/76/80/583667680.db2.gz JNZODQSCMJFEAU-NNTXTVRGSA-N 0 3 247.386 3.205 20 0 BGADHN C/C=C/C[C@H]1CCCN(Cc2[nH]nc(C)c2C)C1 ZINC000895415043 583667678 /nfs/dbraw/zinc/66/76/78/583667678.db2.gz JNZODQSCMJFEAU-NNTXTVRGSA-N 0 3 247.386 3.205 20 0 BGADHN C/C=C\C[C@H]1CCCN(Cc2n[nH]c(C)c2C)C1 ZINC000895415045 583667655 /nfs/dbraw/zinc/66/76/55/583667655.db2.gz JNZODQSCMJFEAU-WSNITJDQSA-N 0 3 247.386 3.205 20 0 BGADHN C/C=C\C[C@H]1CCCN(Cc2[nH]nc(C)c2C)C1 ZINC000895415045 583667652 /nfs/dbraw/zinc/66/76/52/583667652.db2.gz JNZODQSCMJFEAU-WSNITJDQSA-N 0 3 247.386 3.205 20 0 BGADHN C/C=C\C[C@@H]1CCCN(Cc2n[nH]c(C)c2C)C1 ZINC000895415047 583667100 /nfs/dbraw/zinc/66/71/00/583667100.db2.gz JNZODQSCMJFEAU-ZRUQZJFASA-N 0 3 247.386 3.205 20 0 BGADHN C/C=C\C[C@@H]1CCCN(Cc2[nH]nc(C)c2C)C1 ZINC000895415047 583667098 /nfs/dbraw/zinc/66/70/98/583667098.db2.gz JNZODQSCMJFEAU-ZRUQZJFASA-N 0 3 247.386 3.205 20 0 BGADHN C/C=C\C[C@@H]1CCCN(Cc2ocnc2C)C1 ZINC000895416550 583667503 /nfs/dbraw/zinc/66/75/03/583667503.db2.gz YRPCVKWXXCQDEK-DHCBQETCSA-N 0 3 234.343 3.161 20 0 BGADHN C/C=C/C[C@@H]1CCCN(Cc2ocnc2C)C1 ZINC000895416551 583667139 /nfs/dbraw/zinc/66/71/39/583667139.db2.gz YRPCVKWXXCQDEK-ITDFMYJTSA-N 0 3 234.343 3.161 20 0 BGADHN C/C=C/C[C@H]1CCCN(Cc2ocnc2C)C1 ZINC000895416552 583667391 /nfs/dbraw/zinc/66/73/91/583667391.db2.gz YRPCVKWXXCQDEK-OOPCZODUSA-N 0 3 234.343 3.161 20 0 BGADHN C/C=C\C[C@H]1CCCN(Cc2ocnc2C)C1 ZINC000895416553 583667246 /nfs/dbraw/zinc/66/72/46/583667246.db2.gz YRPCVKWXXCQDEK-SCOBNMCVSA-N 0 3 234.343 3.161 20 0 BGADHN CC(C)Cc1ccc(CN2CC[C@H]3C[C@H]3C2)cn1 ZINC000895432683 583671411 /nfs/dbraw/zinc/67/14/11/583671411.db2.gz CVLMUBCQCPUKOW-GJZGRUSLSA-N 0 3 244.382 3.122 20 0 BGADHN CC(C)Cc1ccc(CN2CC[C@@H]3C[C@@H]3C2)cn1 ZINC000895432684 583671369 /nfs/dbraw/zinc/67/13/69/583671369.db2.gz CVLMUBCQCPUKOW-HUUCEWRRSA-N 0 3 244.382 3.122 20 0 BGADHN Cc1nn(C(C)C)c(C)c1CNCC1=CCCC1 ZINC000895435040 583672977 /nfs/dbraw/zinc/67/29/77/583672977.db2.gz FBXWYNHYRCSPOE-UHFFFAOYSA-N 0 3 247.386 3.281 20 0 BGADHN Cc1coc(CN2CCC(CCF)CC2)c1 ZINC000895439744 636143877 /nfs/dbraw/zinc/14/38/77/636143877.db2.gz JOONARIMFVWAJA-UHFFFAOYSA-N 0 3 225.307 3.160 20 0 BGADHN CCOc1ccc(CNC(C)(C2CC2)C2CC2)o1 ZINC000895440274 583675175 /nfs/dbraw/zinc/67/51/75/583675175.db2.gz AAZIBTBMXNPCRT-UHFFFAOYSA-N 0 3 249.354 3.347 20 0 BGADHN Cc1ncoc1CN[C@H](C)[C@]12C[C@H]1CCCC2 ZINC000895440426 583675017 /nfs/dbraw/zinc/67/50/17/583675017.db2.gz RJDMHIRCUDWMRM-BZPMIXESSA-N 0 3 234.343 3.041 20 0 BGADHN Cc1ncoc1CN[C@H](C)[C@@]12C[C@@H]1CCCC2 ZINC000895440430 583674986 /nfs/dbraw/zinc/67/49/86/583674986.db2.gz RJDMHIRCUDWMRM-MBNYWOFBSA-N 0 3 234.343 3.041 20 0 BGADHN Cc1ncoc1CNCC1CCC2(CC2)CC1 ZINC000895447449 583676110 /nfs/dbraw/zinc/67/61/10/583676110.db2.gz MFRXFRYFOXXDOW-UHFFFAOYSA-N 0 3 234.343 3.043 20 0 BGADHN Cc1cc(CNC2(CC(C)C)CC2)cnc1F ZINC000895450407 583676151 /nfs/dbraw/zinc/67/61/51/583676151.db2.gz HEYZUJPNMXGZHE-UHFFFAOYSA-N 0 3 236.334 3.197 20 0 BGADHN Cc1cc(F)ncc1CNC1(CC(C)C)CC1 ZINC000895451117 583676288 /nfs/dbraw/zinc/67/62/88/583676288.db2.gz UAPCSTGUPZQYRV-UHFFFAOYSA-N 0 3 236.334 3.197 20 0 BGADHN CCOc1ccc(CNC2(CC(C)C)CC2)o1 ZINC000895451352 583676518 /nfs/dbraw/zinc/67/65/18/583676518.db2.gz WTHDIIVBTVBMBF-UHFFFAOYSA-N 0 3 237.343 3.347 20 0 BGADHN Cc1ncoc1CN1CCC[C@H](C2CCC2)CC1 ZINC000895452100 583676333 /nfs/dbraw/zinc/67/63/33/583676333.db2.gz QHIKUQJSHQMSKM-AWEZNQCLSA-N 0 3 248.370 3.385 20 0 BGADHN Cc1ncoc1CN1CCC[C@@H](C2CCC2)CC1 ZINC000895452102 583676269 /nfs/dbraw/zinc/67/62/69/583676269.db2.gz QHIKUQJSHQMSKM-CQSZACIVSA-N 0 3 248.370 3.385 20 0 BGADHN CN(Cc1ccns1)CC1(C)CCCC1 ZINC000895452522 583676480 /nfs/dbraw/zinc/67/64/80/583676480.db2.gz NUUXDEBPOPRMGA-UHFFFAOYSA-N 0 3 224.373 3.155 20 0 BGADHN CCC[C@H](C)CN(C)Cc1ccns1 ZINC000895453230 636144840 /nfs/dbraw/zinc/14/48/40/636144840.db2.gz GMAJQKXSLWZHMG-JTQLQIEISA-N 0 3 212.362 3.011 20 0 BGADHN CCC[C@@H](C)CN(C)Cc1ccns1 ZINC000895453231 636145727 /nfs/dbraw/zinc/14/57/27/636145727.db2.gz GMAJQKXSLWZHMG-SNVBAGLBSA-N 0 3 212.362 3.011 20 0 BGADHN CSc1ccc(CN2C[C@@H]3CC=CC[C@@H]3C2)o1 ZINC000895457440 583677005 /nfs/dbraw/zinc/67/70/05/583677005.db2.gz MLSJQQIKSASVIU-TXEJJXNPSA-N 0 3 249.379 3.400 20 0 BGADHN Cc1n[nH]c(CN(C)C[C@H](C)C(C)(C)C)c1C ZINC000895476034 636148854 /nfs/dbraw/zinc/14/88/54/636148854.db2.gz DJMIHVYXXAMKPI-JTQLQIEISA-N 0 3 237.391 3.141 20 0 BGADHN Cc1n[nH]c(CN(C)C[C@@H](C)C(C)(C)C)c1C ZINC000895476035 636148466 /nfs/dbraw/zinc/14/84/66/636148466.db2.gz DJMIHVYXXAMKPI-SNVBAGLBSA-N 0 3 237.391 3.141 20 0 BGADHN Cc1cc(F)ncc1CN(C)C[C@H]1CC1(C)C ZINC000895480370 583680092 /nfs/dbraw/zinc/68/00/92/583680092.db2.gz DYSNBNLXNIAWSL-GFCCVEGCSA-N 0 3 236.334 3.007 20 0 BGADHN Cc1cc(F)ncc1CN(C)C[C@@H]1CC1(C)C ZINC000895480371 583680366 /nfs/dbraw/zinc/68/03/66/583680366.db2.gz DYSNBNLXNIAWSL-LBPRGKRZSA-N 0 3 236.334 3.007 20 0 BGADHN CN(Cc1cnn(C2CCC2)c1)C[C@H]1CC1(C)C ZINC000895480440 583680395 /nfs/dbraw/zinc/68/03/95/583680395.db2.gz GQXNKZYQPRLJFM-CYBMUJFWSA-N 0 3 247.386 3.086 20 0 BGADHN CN(Cc1cnn(C2CCC2)c1)C[C@@H]1CC1(C)C ZINC000895480441 583680111 /nfs/dbraw/zinc/68/01/11/583680111.db2.gz GQXNKZYQPRLJFM-ZDUSSCGKSA-N 0 3 247.386 3.086 20 0 BGADHN CN(Cc1ccnn1C1CCC1)C[C@H]1CC1(C)C ZINC000895481281 583680680 /nfs/dbraw/zinc/68/06/80/583680680.db2.gz LYQFHFQGUGBGKC-GFCCVEGCSA-N 0 3 247.386 3.086 20 0 BGADHN CN(Cc1ccnn1C1CCC1)C[C@@H]1CC1(C)C ZINC000895481282 583680942 /nfs/dbraw/zinc/68/09/42/583680942.db2.gz LYQFHFQGUGBGKC-LBPRGKRZSA-N 0 3 247.386 3.086 20 0 BGADHN Cc1cc(CN(C)C[C@H]2CC2(C)C)cnc1F ZINC000895482342 583680628 /nfs/dbraw/zinc/68/06/28/583680628.db2.gz UYJHIEZAGBJYCL-GFCCVEGCSA-N 0 3 236.334 3.007 20 0 BGADHN Cc1cc(CN(C)C[C@@H]2CC2(C)C)cnc1F ZINC000895482344 583680690 /nfs/dbraw/zinc/68/06/90/583680690.db2.gz UYJHIEZAGBJYCL-LBPRGKRZSA-N 0 3 236.334 3.007 20 0 BGADHN CCSc1ccc(CNC2CSC2)cc1 ZINC000895526848 583684535 /nfs/dbraw/zinc/68/45/35/583684535.db2.gz SNPJTGZEYGEEDD-UHFFFAOYSA-N 0 3 239.409 3.004 20 0 BGADHN c1c(CNCC2(CC3CC3)CC2)onc1C1CC1 ZINC000895531526 583685186 /nfs/dbraw/zinc/68/51/86/583685186.db2.gz MMEDPTFQHJCSMF-UHFFFAOYSA-N 0 3 246.354 3.222 20 0 BGADHN CCC[C@H](C)CCNCc1ccc(Cl)nn1 ZINC000895531996 583685431 /nfs/dbraw/zinc/68/54/31/583685431.db2.gz MBDHEHOYTPANOG-JTQLQIEISA-N 0 3 241.766 3.046 20 0 BGADHN CCC[C@@H](C)CCNCc1ccc(Cl)nn1 ZINC000895532303 583685708 /nfs/dbraw/zinc/68/57/08/583685708.db2.gz MBDHEHOYTPANOG-SNVBAGLBSA-N 0 3 241.766 3.046 20 0 BGADHN CCC[C@H](C)CCNCc1cc(F)ncc1F ZINC000895532870 583685553 /nfs/dbraw/zinc/68/55/53/583685553.db2.gz RJWJAGYPXLDILL-JTQLQIEISA-N 0 3 242.313 3.276 20 0 BGADHN CCC[C@@H](C)CCNCc1cc(F)ncc1F ZINC000895532871 583685685 /nfs/dbraw/zinc/68/56/85/583685685.db2.gz RJWJAGYPXLDILL-SNVBAGLBSA-N 0 3 242.313 3.276 20 0 BGADHN CCC[C@@H](C)CCNCc1cc(C2CC2)no1 ZINC000895532886 583685530 /nfs/dbraw/zinc/68/55/30/583685530.db2.gz RZNSVKZBLRHOHC-LLVKDONJSA-N 0 3 236.359 3.468 20 0 BGADHN CCC[C@H](C)CCNCc1cc(C2CC2)no1 ZINC000895532887 583685809 /nfs/dbraw/zinc/68/58/09/583685809.db2.gz RZNSVKZBLRHOHC-NSHDSACASA-N 0 3 236.359 3.468 20 0 BGADHN CC1(C)C[C@@]1(C)CNCc1cc(C2CC2)no1 ZINC000895534134 583686041 /nfs/dbraw/zinc/68/60/41/583686041.db2.gz FNWHCZIQSZBRKW-AWEZNQCLSA-N 0 3 234.343 3.078 20 0 BGADHN CC1(C)C[C@]1(C)CNCc1cc(C2CC2)no1 ZINC000895534135 583686204 /nfs/dbraw/zinc/68/62/04/583686204.db2.gz FNWHCZIQSZBRKW-CQSZACIVSA-N 0 3 234.343 3.078 20 0 BGADHN CC1(C)C[C@]1(C)CNCc1nc(Cl)cs1 ZINC000895535036 583686384 /nfs/dbraw/zinc/68/63/84/583686384.db2.gz NKUMJGWPGYRSTC-LLVKDONJSA-N 0 3 244.791 3.322 20 0 BGADHN CC1(C)C[C@@]1(C)CNCc1nc(Cl)cs1 ZINC000895535037 583686249 /nfs/dbraw/zinc/68/62/49/583686249.db2.gz NKUMJGWPGYRSTC-NSHDSACASA-N 0 3 244.791 3.322 20 0 BGADHN C=C/C=C\CCNCc1ccnc(Cl)c1F ZINC000895542469 583688840 /nfs/dbraw/zinc/68/88/40/583688840.db2.gz ZTGGUFMNXVRTAZ-ARJAWSKDSA-N 0 3 240.709 3.096 20 0 BGADHN C=C/C=C/CCNCc1ccnc(Cl)c1F ZINC000895542470 583688775 /nfs/dbraw/zinc/68/87/75/583688775.db2.gz ZTGGUFMNXVRTAZ-ONEGZZNKSA-N 0 3 240.709 3.096 20 0 BGADHN CCc1ccc(CN2CCC[C@H](CF)C2)o1 ZINC000895543941 583689304 /nfs/dbraw/zinc/68/93/04/583689304.db2.gz HFVVYGDYKLRRFS-LLVKDONJSA-N 0 3 225.307 3.024 20 0 BGADHN CCc1ccc(CN2CCC[C@@H](CF)C2)o1 ZINC000895543942 583689301 /nfs/dbraw/zinc/68/93/01/583689301.db2.gz HFVVYGDYKLRRFS-NSHDSACASA-N 0 3 225.307 3.024 20 0 BGADHN FC[C@H]1CCCN(Cc2cc3cccnc3o2)C1 ZINC000895544161 583689614 /nfs/dbraw/zinc/68/96/14/583689614.db2.gz ITDHRAXIJMBSAH-LLVKDONJSA-N 0 3 248.301 3.009 20 0 BGADHN FC[C@@H]1CCCN(Cc2cc3cccnc3o2)C1 ZINC000895544162 583689619 /nfs/dbraw/zinc/68/96/19/583689619.db2.gz ITDHRAXIJMBSAH-NSHDSACASA-N 0 3 248.301 3.009 20 0 BGADHN FC1CCN(Cc2ccc3cc[nH]c3c2)CC1 ZINC000895545097 583689127 /nfs/dbraw/zinc/68/91/27/583689127.db2.gz BPPUGXIGERQJOO-UHFFFAOYSA-N 0 3 232.302 3.102 20 0 BGADHN Cc1cc(CN2CCC[C@H](CF)C2)c(C)o1 ZINC000895545305 583689273 /nfs/dbraw/zinc/68/92/73/583689273.db2.gz RTJHZWJBFYXKKV-GFCCVEGCSA-N 0 3 225.307 3.078 20 0 BGADHN Cc1cc(CN2CCC[C@@H](CF)C2)c(C)o1 ZINC000895545306 583689289 /nfs/dbraw/zinc/68/92/89/583689289.db2.gz RTJHZWJBFYXKKV-LBPRGKRZSA-N 0 3 225.307 3.078 20 0 BGADHN Cc1sccc1CN1CCC[C@H](CF)C1 ZINC000895545425 583689312 /nfs/dbraw/zinc/68/93/12/583689312.db2.gz UILQUALJPNPOLS-LLVKDONJSA-N 0 3 227.348 3.238 20 0 BGADHN Cc1sccc1CN1CCC[C@@H](CF)C1 ZINC000895545426 583689149 /nfs/dbraw/zinc/68/91/49/583689149.db2.gz UILQUALJPNPOLS-NSHDSACASA-N 0 3 227.348 3.238 20 0 BGADHN FC[C@H]1CCCN(Cc2cc3ccccc3[nH]2)C1 ZINC000895545694 583690170 /nfs/dbraw/zinc/69/01/70/583690170.db2.gz VSCCEGOYYZVBHX-GFCCVEGCSA-N 0 3 246.329 3.349 20 0 BGADHN FC[C@@H]1CCCN(Cc2cc3ccccc3[nH]2)C1 ZINC000895545695 583690121 /nfs/dbraw/zinc/69/01/21/583690121.db2.gz VSCCEGOYYZVBHX-LBPRGKRZSA-N 0 3 246.329 3.349 20 0 BGADHN Cc1ccc2cc(CN3CCC(F)CC3)[nH]c2c1 ZINC000895545831 583690140 /nfs/dbraw/zinc/69/01/40/583690140.db2.gz HWJIIASJQRDJOQ-UHFFFAOYSA-N 0 3 246.329 3.410 20 0 BGADHN Fc1cccc(/C=C/CN2CCC(F)CC2)c1 ZINC000895545959 583690316 /nfs/dbraw/zinc/69/03/16/583690316.db2.gz JTIAANGULJJEOL-DUXPYHPUSA-N 0 3 237.293 3.273 20 0 BGADHN Fc1cccc(/C=C\CN2CCC(F)CC2)c1 ZINC000895545961 583690165 /nfs/dbraw/zinc/69/01/65/583690165.db2.gz JTIAANGULJJEOL-RQOWECAXSA-N 0 3 237.293 3.273 20 0 BGADHN Cn1c(CN2CCC(F)CC2)cc2ccccc21 ZINC000895546092 583690085 /nfs/dbraw/zinc/69/00/85/583690085.db2.gz KAJVXEBNKWSMTM-UHFFFAOYSA-N 0 3 246.329 3.112 20 0 BGADHN FC[C@H]1CCCN(Cc2cc3cnccc3o2)C1 ZINC000895546417 583690280 /nfs/dbraw/zinc/69/02/80/583690280.db2.gz ZPHDXTRJDUHHQZ-LLVKDONJSA-N 0 3 248.301 3.009 20 0 BGADHN FC[C@@H]1CCCN(Cc2cc3cnccc3o2)C1 ZINC000895546418 583689824 /nfs/dbraw/zinc/68/98/24/583689824.db2.gz ZPHDXTRJDUHHQZ-NSHDSACASA-N 0 3 248.301 3.009 20 0 BGADHN FC1CCN(Cc2ccc3occc3c2)CC1 ZINC000895546663 583690187 /nfs/dbraw/zinc/69/01/87/583690187.db2.gz AEXUEUZUXJBBDF-UHFFFAOYSA-N 0 3 233.286 3.367 20 0 BGADHN Cc1scc(CN2CCC(F)CC2)c1C ZINC000895546673 583690021 /nfs/dbraw/zinc/69/00/21/583690021.db2.gz SHXCIJGWQKIAJL-UHFFFAOYSA-N 0 3 227.348 3.299 20 0 BGADHN C[C@@H](Cc1ccsc1)N1CCC(F)CC1 ZINC000895546773 583690167 /nfs/dbraw/zinc/69/01/67/583690167.db2.gz DHVIOSLRQCWSGV-JTQLQIEISA-N 0 3 227.348 3.113 20 0 BGADHN C[C@H](Cc1ccsc1)N1CCC(F)CC1 ZINC000895546774 583690137 /nfs/dbraw/zinc/69/01/37/583690137.db2.gz DHVIOSLRQCWSGV-SNVBAGLBSA-N 0 3 227.348 3.113 20 0 BGADHN Fc1ccc(/C=C/CN2CCC(F)CC2)cc1 ZINC000895546964 583690017 /nfs/dbraw/zinc/69/00/17/583690017.db2.gz GANJHZSJCKDVMR-OWOJBTEDSA-N 0 3 237.293 3.273 20 0 BGADHN Fc1ccc(/C=C\CN2CCC(F)CC2)cc1 ZINC000895546965 583690080 /nfs/dbraw/zinc/69/00/80/583690080.db2.gz GANJHZSJCKDVMR-UPHRSURJSA-N 0 3 237.293 3.273 20 0 BGADHN FC1CCN(Cc2coc3ccccc23)CC1 ZINC000895547009 583690448 /nfs/dbraw/zinc/69/04/48/583690448.db2.gz HRZPSMXZMIUPFL-UHFFFAOYSA-N 0 3 233.286 3.367 20 0 BGADHN FC1CCN(Cc2ccc3[nH]ccc3c2)CC1 ZINC000895547109 583686697 /nfs/dbraw/zinc/68/66/97/583686697.db2.gz MEJZKIPSSOOXNP-UHFFFAOYSA-N 0 3 232.302 3.102 20 0 BGADHN FC1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000895547217 583686545 /nfs/dbraw/zinc/68/65/45/583686545.db2.gz QIJVMVDBCLQKOK-UHFFFAOYSA-N 0 3 232.302 3.102 20 0 BGADHN FC1CCN(Cc2ccc3cnccc3c2)CC1 ZINC000895547287 583686851 /nfs/dbraw/zinc/68/68/51/583686851.db2.gz SNTIAGVFHUPLKM-UHFFFAOYSA-N 0 3 244.313 3.169 20 0 BGADHN FC1CCN(Cc2cccc3cnccc32)CC1 ZINC000895547325 583686814 /nfs/dbraw/zinc/68/68/14/583686814.db2.gz UNCSKNAWAVJAEO-UHFFFAOYSA-N 0 3 244.313 3.169 20 0 BGADHN CCOc1cccc(CN2CCC(F)CC2)c1 ZINC000895549274 583686946 /nfs/dbraw/zinc/68/69/46/583686946.db2.gz ISVAYCZXVKZXRM-UHFFFAOYSA-N 0 3 237.318 3.019 20 0 BGADHN FC1CCN(Cc2ccnc3ccccc23)CC1 ZINC000895549948 583690369 /nfs/dbraw/zinc/69/03/69/583690369.db2.gz OFTUVKAGGOLEPT-UHFFFAOYSA-N 0 3 244.313 3.169 20 0 BGADHN FC1CCN(Cc2nccc3ccccc32)CC1 ZINC000895551513 583690598 /nfs/dbraw/zinc/69/05/98/583690598.db2.gz YCWPWXVUELWQIK-UHFFFAOYSA-N 0 3 244.313 3.169 20 0 BGADHN Fc1cc(CN2C[C@@H]3C[C@@H]3C2)ccc1C(F)F ZINC000895559178 583691016 /nfs/dbraw/zinc/69/10/16/583691016.db2.gz MOEORCMJKHOQLH-AOOOYVTPSA-N 0 3 241.256 3.215 20 0 BGADHN CCc1onc(C)c1CNC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000895561312 583691036 /nfs/dbraw/zinc/69/10/36/583691036.db2.gz MWKTWFADTANWLV-FRRDWIJNSA-N 0 3 248.370 3.071 20 0 BGADHN CCc1onc(C)c1CNC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000895561314 583691168 /nfs/dbraw/zinc/69/11/68/583691168.db2.gz MWKTWFADTANWLV-UPJWGTAASA-N 0 3 248.370 3.071 20 0 BGADHN [O-]c1cc(Cl)cc(C[NH2+]CC2CC=CC2)c1 ZINC000895565011 583694060 /nfs/dbraw/zinc/69/40/60/583694060.db2.gz NDWGTMYEADVEEJ-UHFFFAOYSA-N 0 3 237.730 3.101 20 0 BGADHN CSc1ccc(CN2CC[C@H](CF)C2)s1 ZINC000895571886 583692400 /nfs/dbraw/zinc/69/24/00/583692400.db2.gz BLKPIITVXZLWJB-SECBINFHSA-N 0 3 245.388 3.261 20 0 BGADHN CSc1ccc(CN2CC[C@@H](CF)C2)s1 ZINC000895571887 583691915 /nfs/dbraw/zinc/69/19/15/583691915.db2.gz BLKPIITVXZLWJB-VIFPVBQESA-N 0 3 245.388 3.261 20 0 BGADHN FC[C@H]1CCN(Cc2nccc3ccccc32)C1 ZINC000895572068 583691845 /nfs/dbraw/zinc/69/18/45/583691845.db2.gz FBEHOWPRYNLARG-GFCCVEGCSA-N 0 3 244.313 3.026 20 0 BGADHN FC[C@@H]1CCN(Cc2nccc3ccccc32)C1 ZINC000895572070 583692315 /nfs/dbraw/zinc/69/23/15/583692315.db2.gz FBEHOWPRYNLARG-LBPRGKRZSA-N 0 3 244.313 3.026 20 0 BGADHN FC[C@@H]1CCN(C/C=C/c2ccc(F)cc2)C1 ZINC000895572303 583691965 /nfs/dbraw/zinc/69/19/65/583691965.db2.gz HMHLGVSBGYIEIG-AORQRIRUSA-N 0 3 237.293 3.130 20 0 BGADHN FC[C@@H]1CCN(C/C=C\c2ccc(F)cc2)C1 ZINC000895572304 583692225 /nfs/dbraw/zinc/69/22/25/583692225.db2.gz HMHLGVSBGYIEIG-FYDYADQUSA-N 0 3 237.293 3.130 20 0 BGADHN FC[C@H]1CCN(C/C=C\c2ccc(F)cc2)C1 ZINC000895572305 583692161 /nfs/dbraw/zinc/69/21/61/583692161.db2.gz HMHLGVSBGYIEIG-UIIMQBOASA-N 0 3 237.293 3.130 20 0 BGADHN FC[C@H]1CCN(C/C=C/c2ccc(F)cc2)C1 ZINC000895572306 583692387 /nfs/dbraw/zinc/69/23/87/583692387.db2.gz HMHLGVSBGYIEIG-ZIYVKSGCSA-N 0 3 237.293 3.130 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CN2CC[C@@H](CF)C2)o1 ZINC000895572781 583692500 /nfs/dbraw/zinc/69/25/00/583692500.db2.gz GMORCJPNTWRYDG-MDZLAQPJSA-N 0 3 237.318 3.194 20 0 BGADHN C[C@@H]1C[C@H]1c1ccc(CN2CC[C@H](CF)C2)o1 ZINC000895572782 583692150 /nfs/dbraw/zinc/69/21/50/583692150.db2.gz GMORCJPNTWRYDG-NQBHXWOUSA-N 0 3 237.318 3.194 20 0 BGADHN C[C@@H]1C[C@H]1c1ccc(CN2CC[C@@H](CF)C2)o1 ZINC000895572783 583692509 /nfs/dbraw/zinc/69/25/09/583692509.db2.gz GMORCJPNTWRYDG-NTZNESFSSA-N 0 3 237.318 3.194 20 0 BGADHN C[C@@H]1C[C@@H]1c1ccc(CN2CC[C@H](CF)C2)o1 ZINC000895572784 583691871 /nfs/dbraw/zinc/69/18/71/583691871.db2.gz GMORCJPNTWRYDG-WZRBSPASSA-N 0 3 237.318 3.194 20 0 BGADHN CC(C)c1ncc(CN2CC[C@@H](CF)C2)s1 ZINC000895574016 583692794 /nfs/dbraw/zinc/69/27/94/583692794.db2.gz UKEPBWNOJCGUEK-JTQLQIEISA-N 0 3 242.363 3.058 20 0 BGADHN CC(C)c1ncc(CN2CC[C@H](CF)C2)s1 ZINC000895574019 583692779 /nfs/dbraw/zinc/69/27/79/583692779.db2.gz UKEPBWNOJCGUEK-SNVBAGLBSA-N 0 3 242.363 3.058 20 0 BGADHN FC[C@H]1CCN(Cc2ccc3occc3c2)C1 ZINC000895574307 583692886 /nfs/dbraw/zinc/69/28/86/583692886.db2.gz VUINGNQCHRXUOA-GFCCVEGCSA-N 0 3 233.286 3.224 20 0 BGADHN FC[C@@H]1CCN(Cc2ccc3occc3c2)C1 ZINC000895574309 583693136 /nfs/dbraw/zinc/69/31/36/583693136.db2.gz VUINGNQCHRXUOA-LBPRGKRZSA-N 0 3 233.286 3.224 20 0 BGADHN FC[C@H]1CCN(CCc2cccc(Cl)c2)C1 ZINC000895574567 583692879 /nfs/dbraw/zinc/69/28/79/583692879.db2.gz WYXFMBZEMHWMCT-GFCCVEGCSA-N 0 3 241.737 3.174 20 0 BGADHN FC[C@@H]1CCN(CCc2cccc(Cl)c2)C1 ZINC000895574569 583692788 /nfs/dbraw/zinc/69/27/88/583692788.db2.gz WYXFMBZEMHWMCT-LBPRGKRZSA-N 0 3 241.737 3.174 20 0 BGADHN Cc1coc(CN2CC[C@@H](c3nccs3)C2)c1 ZINC000895581104 636161872 /nfs/dbraw/zinc/16/18/72/636161872.db2.gz DSYNOWQFHKOPQI-LLVKDONJSA-N 0 3 248.351 3.034 20 0 BGADHN Cc1coc(CN2CC[C@H](c3nccs3)C2)c1 ZINC000895581105 636162260 /nfs/dbraw/zinc/16/22/60/636162260.db2.gz DSYNOWQFHKOPQI-NSHDSACASA-N 0 3 248.351 3.034 20 0 BGADHN Cc1ccc(CN2CC[C@@H](c3nccs3)C2)o1 ZINC000895584100 636161832 /nfs/dbraw/zinc/16/18/32/636161832.db2.gz PMERCMYKDXUBCL-LLVKDONJSA-N 0 3 248.351 3.034 20 0 BGADHN Cc1ccc(CN2CC[C@H](c3nccs3)C2)o1 ZINC000895584101 636162461 /nfs/dbraw/zinc/16/24/61/636162461.db2.gz PMERCMYKDXUBCL-NSHDSACASA-N 0 3 248.351 3.034 20 0 BGADHN Cc1occc1CN1CC[C@@H](c2nccs2)C1 ZINC000895584951 636161558 /nfs/dbraw/zinc/16/15/58/636161558.db2.gz WADRMHPDKSTCSN-GFCCVEGCSA-N 0 3 248.351 3.034 20 0 BGADHN Cc1occc1CN1CC[C@H](c2nccs2)C1 ZINC000895584952 636161821 /nfs/dbraw/zinc/16/18/21/636161821.db2.gz WADRMHPDKSTCSN-LBPRGKRZSA-N 0 3 248.351 3.034 20 0 BGADHN CCCSC[C@@H](C)NCc1cccnc1C ZINC000895618482 583697087 /nfs/dbraw/zinc/69/70/87/583697087.db2.gz KNSICTNDMUQTBI-LLVKDONJSA-N 0 3 238.400 3.011 20 0 BGADHN CCCSC[C@H](C)NCc1cccnc1C ZINC000895618483 583697137 /nfs/dbraw/zinc/69/71/37/583697137.db2.gz KNSICTNDMUQTBI-NSHDSACASA-N 0 3 238.400 3.011 20 0 BGADHN CCOc1ccc(CNC[C@]2(C)C[C@H]3C[C@H]3C2)o1 ZINC000895630220 583698133 /nfs/dbraw/zinc/69/81/33/583698133.db2.gz GIBWWUNMOUXXQU-JJLQDPRZSA-N 0 3 249.354 3.204 20 0 BGADHN C[C@]1(C[NH2+]Cc2ccc([O-])c(F)c2)C[C@H]2C[C@H]2C1 ZINC000895630583 583698367 /nfs/dbraw/zinc/69/83/67/583698367.db2.gz JNTMPXPJXTVHPV-JYAVWHMHSA-N 0 3 249.329 3.057 20 0 BGADHN c1c(CN[C@@H]2C[C@@H]3CCCC[C@H]23)onc1C1CC1 ZINC000895631185 583698364 /nfs/dbraw/zinc/69/83/64/583698364.db2.gz SGGCAXMLFQRWAC-CORIIIEPSA-N 0 3 246.354 3.220 20 0 BGADHN CCc1onc(C)c1CNC[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000895631600 583698358 /nfs/dbraw/zinc/69/83/58/583698358.db2.gz QGCGDHLDSCHGPA-JJLQDPRZSA-N 0 3 248.370 3.071 20 0 BGADHN C/C=C\CNCc1ccc(C(F)F)c(F)c1 ZINC000895632242 583698865 /nfs/dbraw/zinc/69/88/65/583698865.db2.gz WGISFCYEHHLXLY-IHWYPQMZSA-N 0 3 229.245 3.429 20 0 BGADHN C/C=C/CNCc1ccc(C(F)F)c(F)c1 ZINC000895632243 583698998 /nfs/dbraw/zinc/69/89/98/583698998.db2.gz WGISFCYEHHLXLY-NSCUHMNNSA-N 0 3 229.245 3.429 20 0 BGADHN Cc1occc1CN1CCC2(CCCCO2)CC1 ZINC000895654104 583701098 /nfs/dbraw/zinc/70/10/98/583701098.db2.gz PKEZBLQJBMUXDM-UHFFFAOYSA-N 0 3 249.354 3.123 20 0 BGADHN Cc1ccoc1CN1CCC2(CCCCO2)CC1 ZINC000895654632 583701133 /nfs/dbraw/zinc/70/11/33/583701133.db2.gz WEHPBAFASUIYKN-UHFFFAOYSA-N 0 3 249.354 3.123 20 0 BGADHN Cc1coc(CN2CCC3(CCCCO3)CC2)c1 ZINC000895656488 583701524 /nfs/dbraw/zinc/70/15/24/583701524.db2.gz PUFPFYQEQGCUMH-UHFFFAOYSA-N 0 3 249.354 3.123 20 0 BGADHN Cc1ccc(CN2CCC3(CCCCO3)CC2)o1 ZINC000895659348 583701652 /nfs/dbraw/zinc/70/16/52/583701652.db2.gz VVAIACSIIAPEDI-UHFFFAOYSA-N 0 3 249.354 3.123 20 0 BGADHN CCCSC[C@@H](C)N[C@H](C)c1ccns1 ZINC000895664455 583702837 /nfs/dbraw/zinc/70/28/37/583702837.db2.gz YLSPWACAEZZQKT-NXEZZACHSA-N 0 3 244.429 3.325 20 0 BGADHN CCCSC[C@H](C)N[C@@H](C)c1ccns1 ZINC000895664456 583702830 /nfs/dbraw/zinc/70/28/30/583702830.db2.gz YLSPWACAEZZQKT-UWVGGRQHSA-N 0 3 244.429 3.325 20 0 BGADHN CCCSC[C@H](C)N[C@H](C)c1ccns1 ZINC000895664457 583702756 /nfs/dbraw/zinc/70/27/56/583702756.db2.gz YLSPWACAEZZQKT-VHSXEESVSA-N 0 3 244.429 3.325 20 0 BGADHN CCCSC[C@@H](C)N[C@@H](C)c1ccns1 ZINC000895664458 583702875 /nfs/dbraw/zinc/70/28/75/583702875.db2.gz YLSPWACAEZZQKT-ZJUUUORDSA-N 0 3 244.429 3.325 20 0 BGADHN Cc1cc(CN2CCCC3(CC3)CC2)cnc1F ZINC000895664702 583702563 /nfs/dbraw/zinc/70/25/63/583702563.db2.gz CIMFXTNEMFXXHA-UHFFFAOYSA-N 0 3 248.345 3.295 20 0 BGADHN COc1ccc(CN2CCCC3(CC3)CC2)o1 ZINC000895664707 583702640 /nfs/dbraw/zinc/70/26/40/583702640.db2.gz CKDIYKPGJQJHQT-UHFFFAOYSA-N 0 3 235.327 3.054 20 0 BGADHN Cc1cc(F)ncc1CN1CCCC2(CC2)CC1 ZINC000895666132 583705648 /nfs/dbraw/zinc/70/56/48/583705648.db2.gz PBEVPUPFDUTFIP-UHFFFAOYSA-N 0 3 248.345 3.295 20 0 BGADHN CCOc1ccc(CN[C@@H]2CCCC23CC3)o1 ZINC000895691110 583707407 /nfs/dbraw/zinc/70/74/07/583707407.db2.gz DACBAQMVSXCZPA-GFCCVEGCSA-N 0 3 235.327 3.101 20 0 BGADHN CCOc1ccc(CN[C@H]2CCCC23CC3)o1 ZINC000895691113 583707632 /nfs/dbraw/zinc/70/76/32/583707632.db2.gz DACBAQMVSXCZPA-LBPRGKRZSA-N 0 3 235.327 3.101 20 0 BGADHN CCC(C)(C)CCNCc1ccc(OC)cn1 ZINC000895741111 583714389 /nfs/dbraw/zinc/71/43/89/583714389.db2.gz ZDGVQSHYQVJZLM-UHFFFAOYSA-N 0 3 236.359 3.006 20 0 BGADHN CCc1onc(C)c1CNCCC(C)(C)CC ZINC000895741208 583714039 /nfs/dbraw/zinc/71/40/39/583714039.db2.gz ZIRJZGBTFHJBQW-UHFFFAOYSA-N 0 3 238.375 3.461 20 0 BGADHN CCOc1ccc(CN[C@]23C[C@H]2CCCC3)o1 ZINC000895751885 583719830 /nfs/dbraw/zinc/71/98/30/583719830.db2.gz CVGKGPISTIECGX-BXUZGUMPSA-N 0 3 235.327 3.101 20 0 BGADHN CCOc1ccc(CN[C@@]23C[C@@H]2CCCC3)o1 ZINC000895751886 583720113 /nfs/dbraw/zinc/72/01/13/583720113.db2.gz CVGKGPISTIECGX-FZMZJTMJSA-N 0 3 235.327 3.101 20 0 BGADHN COc1ccc(CN[C@H](C)[C@]23C[C@H]2CCCC3)o1 ZINC000895754275 583721012 /nfs/dbraw/zinc/72/10/12/583721012.db2.gz VKUQMXIEHIVQDY-JMSVASOKSA-N 0 3 249.354 3.347 20 0 BGADHN COc1ccc(CN[C@H](C)[C@@]23C[C@@H]2CCCC3)o1 ZINC000895754278 583720298 /nfs/dbraw/zinc/72/02/98/583720298.db2.gz VKUQMXIEHIVQDY-TYNCELHUSA-N 0 3 249.354 3.347 20 0 BGADHN C[C@@H](N[C@H]1CC[C@@H](C)C[C@H]1C)c1ncco1 ZINC000895763433 583722579 /nfs/dbraw/zinc/72/25/79/583722579.db2.gz CMMPSBYZEJXILW-KKOKHZNYSA-N 0 3 222.332 3.150 20 0 BGADHN C[C@@H](N[C@H]1CC[C@@H](C)C[C@@H]1C)c1ncco1 ZINC000895763434 583722476 /nfs/dbraw/zinc/72/24/76/583722476.db2.gz CMMPSBYZEJXILW-KXNHARMFSA-N 0 3 222.332 3.150 20 0 BGADHN C[C@H](N[C@H]1CC[C@@H](C)C[C@@H]1C)c1ncco1 ZINC000895763435 583722765 /nfs/dbraw/zinc/72/27/65/583722765.db2.gz CMMPSBYZEJXILW-RHYQMDGZSA-N 0 3 222.332 3.150 20 0 BGADHN C[C@H](N[C@H]1CC[C@@H](C)C[C@H]1C)c1ncco1 ZINC000895763436 583722374 /nfs/dbraw/zinc/72/23/74/583722374.db2.gz CMMPSBYZEJXILW-WYUUTHIRSA-N 0 3 222.332 3.150 20 0 BGADHN CC[C@@H](N[C@@H](C)c1ncco1)C1CCCC1 ZINC000895765497 583723425 /nfs/dbraw/zinc/72/34/25/583723425.db2.gz NTSUIUPBLFAWNQ-CMPLNLGQSA-N 0 3 222.332 3.294 20 0 BGADHN CC[C@H](N[C@@H](C)c1ncco1)C1CCCC1 ZINC000895765498 583723362 /nfs/dbraw/zinc/72/33/62/583723362.db2.gz NTSUIUPBLFAWNQ-JQWIXIFHSA-N 0 3 222.332 3.294 20 0 BGADHN CC[C@H](N[C@H](C)c1ncco1)C1CCCC1 ZINC000895765499 583723615 /nfs/dbraw/zinc/72/36/15/583723615.db2.gz NTSUIUPBLFAWNQ-PWSUYJOCSA-N 0 3 222.332 3.294 20 0 BGADHN CC[C@@H](N[C@H](C)c1ncco1)C1CCCC1 ZINC000895765500 583723402 /nfs/dbraw/zinc/72/34/02/583723402.db2.gz NTSUIUPBLFAWNQ-ZYHUDNBSSA-N 0 3 222.332 3.294 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@H](C)[C@@H]1C)c1ncco1 ZINC000895765873 583719310 /nfs/dbraw/zinc/71/93/10/583719310.db2.gz OVKCLVQISMNDRJ-FIQHERPVSA-N 0 3 222.332 3.150 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@@H](C)[C@@H]1C)c1ncco1 ZINC000895765874 583719005 /nfs/dbraw/zinc/71/90/05/583719005.db2.gz OVKCLVQISMNDRJ-NOOOWODRSA-N 0 3 222.332 3.150 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@H](C)[C@H]1C)c1ncco1 ZINC000895765875 583719241 /nfs/dbraw/zinc/71/92/41/583719241.db2.gz OVKCLVQISMNDRJ-WHOHXGKFSA-N 0 3 222.332 3.150 20 0 BGADHN C[C@H](N[C@@H]1CCC[C@@H](C)[C@H]1C)c1ncco1 ZINC000895765876 583718810 /nfs/dbraw/zinc/71/88/10/583718810.db2.gz OVKCLVQISMNDRJ-WISYIIOYSA-N 0 3 222.332 3.150 20 0 BGADHN CC[C@H](N[C@@H](C)c1ncco1)[C@H]1CC1(C)C ZINC000895766196 583719252 /nfs/dbraw/zinc/71/92/52/583719252.db2.gz SXFBBQZHIRDOPH-AXFHLTTASA-N 0 3 222.332 3.150 20 0 BGADHN CC[C@H](N[C@@H](C)c1ncco1)[C@@H]1CC1(C)C ZINC000895766197 583718851 /nfs/dbraw/zinc/71/88/51/583718851.db2.gz SXFBBQZHIRDOPH-DCAQKATOSA-N 0 3 222.332 3.150 20 0 BGADHN CC[C@H](N[C@H](C)c1ncco1)[C@H]1CC1(C)C ZINC000895766198 583719037 /nfs/dbraw/zinc/71/90/37/583719037.db2.gz SXFBBQZHIRDOPH-MXWKQRLJSA-N 0 3 222.332 3.150 20 0 BGADHN CC[C@H](N[C@H](C)c1ncco1)[C@@H]1CC1(C)C ZINC000895766199 583719533 /nfs/dbraw/zinc/71/95/33/583719533.db2.gz SXFBBQZHIRDOPH-VWYCJHECSA-N 0 3 222.332 3.150 20 0 BGADHN CC1=CC[C@@H](NCc2cc(C3CC3)no2)CC1 ZINC000895766221 583719033 /nfs/dbraw/zinc/71/90/33/583719033.db2.gz UFFOBDZABWUEPC-GFCCVEGCSA-N 0 3 232.327 3.140 20 0 BGADHN CC1=CC[C@H](NCc2cc(C3CC3)no2)CC1 ZINC000895766222 583718806 /nfs/dbraw/zinc/71/88/06/583718806.db2.gz UFFOBDZABWUEPC-LBPRGKRZSA-N 0 3 232.327 3.140 20 0 BGADHN CC(C)C[C@@H](C)CNCc1cc(C2CC2)no1 ZINC000895767064 583720734 /nfs/dbraw/zinc/72/07/34/583720734.db2.gz ZILGOFYPHGEPTE-LLVKDONJSA-N 0 3 236.359 3.324 20 0 BGADHN CC(C)C[C@H](C)CNCc1cc(C2CC2)no1 ZINC000895767065 583720949 /nfs/dbraw/zinc/72/09/49/583720949.db2.gz ZILGOFYPHGEPTE-NSHDSACASA-N 0 3 236.359 3.324 20 0 BGADHN CCCSC[C@H](C)NCc1ccc(C)o1 ZINC000895770627 583725602 /nfs/dbraw/zinc/72/56/02/583725602.db2.gz QGKLZBMEKGLDRG-JTQLQIEISA-N 0 3 227.373 3.209 20 0 BGADHN CCCSC[C@@H](C)NCc1ccc(C)o1 ZINC000895770629 583724851 /nfs/dbraw/zinc/72/48/51/583724851.db2.gz QGKLZBMEKGLDRG-SNVBAGLBSA-N 0 3 227.373 3.209 20 0 BGADHN CCCSC[C@H](C)N[C@@H]1C[C@H]1C(F)(F)F ZINC000895782994 583729323 /nfs/dbraw/zinc/72/93/23/583729323.db2.gz JVHYLPBYGPAPOX-DJLDLDEBSA-N 0 3 241.322 3.059 20 0 BGADHN CCCSC[C@@H](C)N[C@@H]1C[C@H]1C(F)(F)F ZINC000895782995 583729973 /nfs/dbraw/zinc/72/99/73/583729973.db2.gz JVHYLPBYGPAPOX-IWSPIJDZSA-N 0 3 241.322 3.059 20 0 BGADHN CCOc1ccc(CN2C[C@@H]3CC=CC[C@@H]3C2)o1 ZINC000895829340 583735205 /nfs/dbraw/zinc/73/52/05/583735205.db2.gz NJCAMSYGQMBCKR-BETUJISGSA-N 0 3 247.338 3.076 20 0 BGADHN CCc1onc(C)c1CNCCCCC1CC1 ZINC000895831986 583735360 /nfs/dbraw/zinc/73/53/60/583735360.db2.gz BNZKSYNBBAXUSB-UHFFFAOYSA-N 0 3 236.359 3.215 20 0 BGADHN COc1ccc(CNCC(C)(C)C(C)(F)F)o1 ZINC000895832890 583735348 /nfs/dbraw/zinc/73/53/48/583735348.db2.gz PPMVCNIZABCNOD-UHFFFAOYSA-N 0 3 247.285 3.059 20 0 BGADHN c1c(CNC2CCC=CCC2)onc1C1CC1 ZINC000895893555 583740076 /nfs/dbraw/zinc/74/00/76/583740076.db2.gz CVUPJUSMHSPWOZ-UHFFFAOYSA-N 0 3 232.327 3.140 20 0 BGADHN CN(CCCF)Cc1ccc2occc2c1 ZINC000895895577 583742859 /nfs/dbraw/zinc/74/28/59/583742859.db2.gz AIIPDOGKDSGNDB-UHFFFAOYSA-N 0 3 221.275 3.224 20 0 BGADHN CSc1ccc(CN(C)CCCF)s1 ZINC000895895700 583743767 /nfs/dbraw/zinc/74/37/67/583743767.db2.gz CVKRAMWUNPGXFM-UHFFFAOYSA-N 0 3 233.377 3.261 20 0 BGADHN Clc1csc(CNC2CCC=CCC2)n1 ZINC000895895812 583743596 /nfs/dbraw/zinc/74/35/96/583743596.db2.gz ZNGPXIFDYRUADZ-UHFFFAOYSA-N 0 3 242.775 3.385 20 0 BGADHN CN(C/C=C/c1ccc(F)cc1F)CCCF ZINC000895895871 583743291 /nfs/dbraw/zinc/74/32/91/583743291.db2.gz GUVUGWZHOIZTPE-DUXPYHPUSA-N 0 3 243.272 3.269 20 0 BGADHN CN(C/C=C\c1ccc(F)cc1F)CCCF ZINC000895895872 583743770 /nfs/dbraw/zinc/74/37/70/583743770.db2.gz GUVUGWZHOIZTPE-RQOWECAXSA-N 0 3 243.272 3.269 20 0 BGADHN Cc1ccc2cc(CN(C)CCCF)ccc2n1 ZINC000895895887 583743786 /nfs/dbraw/zinc/74/37/86/583743786.db2.gz HQIQKVDLLYDPIH-UHFFFAOYSA-N 0 3 246.329 3.335 20 0 BGADHN CCOc1cc(F)cc(CN(C)CCCF)c1 ZINC000895896053 583743427 /nfs/dbraw/zinc/74/34/27/583743427.db2.gz JYTFVEDYSKNXEA-UHFFFAOYSA-N 0 3 243.297 3.016 20 0 BGADHN CN(C/C=C\c1cccc(F)c1)CCCF ZINC000895896080 583743408 /nfs/dbraw/zinc/74/34/08/583743408.db2.gz LGQKXLOOPQWSNS-UTCJRWHESA-N 0 3 225.282 3.130 20 0 BGADHN CN(C/C=C/c1cccc(F)c1)CCCF ZINC000895896081 583743949 /nfs/dbraw/zinc/74/39/49/583743949.db2.gz LGQKXLOOPQWSNS-ZZXKWVIFSA-N 0 3 225.282 3.130 20 0 BGADHN Cc1ccc2cc(CN(C)CCCF)[nH]c2c1 ZINC000895896086 583743476 /nfs/dbraw/zinc/74/34/76/583743476.db2.gz LOCXCZBQMPZFIT-UHFFFAOYSA-N 0 3 234.318 3.268 20 0 BGADHN CN(CCCF)Cc1cccc(C2CC2)c1 ZINC000895896127 583743462 /nfs/dbraw/zinc/74/34/62/583743462.db2.gz NXYONUUEEJCXCQ-UHFFFAOYSA-N 0 3 221.319 3.355 20 0 BGADHN CN(CCCF)Cc1cc(F)cc(Cl)c1 ZINC000895896183 583743722 /nfs/dbraw/zinc/74/37/22/583743722.db2.gz QDRNJAKTKYIOAE-UHFFFAOYSA-N 0 3 233.689 3.271 20 0 BGADHN CCOc1ccc(CN(C)CCCF)cc1F ZINC000895896188 583743934 /nfs/dbraw/zinc/74/39/34/583743934.db2.gz QFFYUSPZGJWILM-UHFFFAOYSA-N 0 3 243.297 3.016 20 0 BGADHN CCOc1ccc(CN(C)CCCF)c(C)c1 ZINC000895896215 583743907 /nfs/dbraw/zinc/74/39/07/583743907.db2.gz RDGKSFQZYZSQIZ-UHFFFAOYSA-N 0 3 239.334 3.185 20 0 BGADHN CN(CCCF)Cc1cc2ccncc2s1 ZINC000895896216 583743419 /nfs/dbraw/zinc/74/34/19/583743419.db2.gz RDTMJUCLODQYOK-UHFFFAOYSA-N 0 3 238.331 3.088 20 0 BGADHN CN(CCCF)Cc1cc(Cl)cs1 ZINC000895896219 583743631 /nfs/dbraw/zinc/74/36/31/583743631.db2.gz RGZRWWPHCNTIGD-UHFFFAOYSA-N 0 3 221.728 3.193 20 0 BGADHN CN(C/C=C/c1ccc(F)c(F)c1)CCCF ZINC000895896390 583743591 /nfs/dbraw/zinc/74/35/91/583743591.db2.gz STCVTDPQYLTAGY-DUXPYHPUSA-N 0 3 243.272 3.269 20 0 BGADHN CN(C/C=C\c1ccc(F)c(F)c1)CCCF ZINC000895896391 583743499 /nfs/dbraw/zinc/74/34/99/583743499.db2.gz STCVTDPQYLTAGY-RQOWECAXSA-N 0 3 243.272 3.269 20 0 BGADHN Cc1scc(CN(C)CCCF)c1C ZINC000895896403 583743263 /nfs/dbraw/zinc/74/32/63/583743263.db2.gz TZEVWMKJPFHQRV-UHFFFAOYSA-N 0 3 215.337 3.156 20 0 BGADHN Cc1cccc2[nH]c(CN(C)CCCF)cc21 ZINC000895896427 583743479 /nfs/dbraw/zinc/74/34/79/583743479.db2.gz UJWBIXSXBZJQPW-UHFFFAOYSA-N 0 3 234.318 3.268 20 0 BGADHN CN(CCCF)CCc1ccc(F)cc1Cl ZINC000895896548 583743296 /nfs/dbraw/zinc/74/32/96/583743296.db2.gz XICRUNORDACSJY-UHFFFAOYSA-N 0 3 247.716 3.313 20 0 BGADHN CN(CCCF)Cc1ccc2cnccc2c1 ZINC000895896662 583744433 /nfs/dbraw/zinc/74/44/33/583744433.db2.gz YHXRZBJJBYNRIA-UHFFFAOYSA-N 0 3 232.302 3.026 20 0 BGADHN Cc1cc(CN(C)CCCF)cc2cccnc12 ZINC000895896697 583744674 /nfs/dbraw/zinc/74/46/74/583744674.db2.gz ZEIOKHPCKJNVDA-UHFFFAOYSA-N 0 3 246.329 3.335 20 0 BGADHN CCc1ccc(CN(C)CCCF)s1 ZINC000895897532 583740760 /nfs/dbraw/zinc/74/07/60/583740760.db2.gz AJYOWBYAHSMHIZ-UHFFFAOYSA-N 0 3 215.337 3.102 20 0 BGADHN CN(CCCF)Cc1ccnc2ccccc12 ZINC000895897564 583741066 /nfs/dbraw/zinc/74/10/66/583741066.db2.gz BXAZLJWXCLVMHP-UHFFFAOYSA-N 0 3 232.302 3.026 20 0 BGADHN CN(CCCF)Cc1nccc2ccccc21 ZINC000895897912 583740948 /nfs/dbraw/zinc/74/09/48/583740948.db2.gz HTLXDXSGGSSECH-UHFFFAOYSA-N 0 3 232.302 3.026 20 0 BGADHN CN(CCCF)Cc1cc2cc(F)ccc2o1 ZINC000895898029 583741277 /nfs/dbraw/zinc/74/12/77/583741277.db2.gz IFMSMFVVJRXVQK-UHFFFAOYSA-N 0 3 239.265 3.363 20 0 BGADHN CN(C/C=C/c1ccc(F)cc1)CCCF ZINC000895898086 583740642 /nfs/dbraw/zinc/74/06/42/583740642.db2.gz KEWFBBBUCLVLNZ-DUXPYHPUSA-N 0 3 225.282 3.130 20 0 BGADHN CN(C/C=C\c1ccc(F)cc1)CCCF ZINC000895898087 583740962 /nfs/dbraw/zinc/74/09/62/583740962.db2.gz KEWFBBBUCLVLNZ-RQOWECAXSA-N 0 3 225.282 3.130 20 0 BGADHN CN(CCCF)Cc1coc2ccccc12 ZINC000895898456 583741023 /nfs/dbraw/zinc/74/10/23/583741023.db2.gz SSJIREVYLCIZGO-UHFFFAOYSA-N 0 3 221.275 3.224 20 0 BGADHN Clc1csc(CNC2(C3CC3)CCC2)n1 ZINC000895902015 583742392 /nfs/dbraw/zinc/74/23/92/583742392.db2.gz VEKTXFNRWFHMGF-UHFFFAOYSA-N 0 3 242.775 3.219 20 0 BGADHN CO[C@H]1CC[C@H](C)N(Cc2ccsc2C)C1 ZINC000895926483 583747651 /nfs/dbraw/zinc/74/76/51/583747651.db2.gz GLHUUEBBOWVOLA-GWCFXTLKSA-N 0 3 239.384 3.056 20 0 BGADHN CO[C@@H]1CC[C@H](C)N(Cc2ccsc2C)C1 ZINC000895926484 583747919 /nfs/dbraw/zinc/74/79/19/583747919.db2.gz GLHUUEBBOWVOLA-GXFFZTMASA-N 0 3 239.384 3.056 20 0 BGADHN CO[C@H]1CC[C@@H](C)N(Cc2ccsc2C)C1 ZINC000895926485 583748035 /nfs/dbraw/zinc/74/80/35/583748035.db2.gz GLHUUEBBOWVOLA-MFKMUULPSA-N 0 3 239.384 3.056 20 0 BGADHN CO[C@@H]1CC[C@@H](C)N(Cc2ccsc2C)C1 ZINC000895926486 583748070 /nfs/dbraw/zinc/74/80/70/583748070.db2.gz GLHUUEBBOWVOLA-ZWNOBZJWSA-N 0 3 239.384 3.056 20 0 BGADHN CCc1onc(C)c1CNCCC[C@@H]1C=CCC1 ZINC000895930314 583748435 /nfs/dbraw/zinc/74/84/35/583748435.db2.gz HQJLVYUHCPOYIG-CYBMUJFWSA-N 0 3 248.370 3.381 20 0 BGADHN CCc1onc(C)c1CNCCC[C@H]1C=CCC1 ZINC000895930320 583748541 /nfs/dbraw/zinc/74/85/41/583748541.db2.gz HQJLVYUHCPOYIG-ZDUSSCGKSA-N 0 3 248.370 3.381 20 0 BGADHN COc1ccc(CNCCC[C@@H]2C=CCC2)o1 ZINC000895930392 583748899 /nfs/dbraw/zinc/74/88/99/583748899.db2.gz JZNZMFRRSJDABT-GFCCVEGCSA-N 0 3 235.327 3.124 20 0 BGADHN COc1ccc(CNCCC[C@H]2C=CCC2)o1 ZINC000895930393 583748769 /nfs/dbraw/zinc/74/87/69/583748769.db2.gz JZNZMFRRSJDABT-LBPRGKRZSA-N 0 3 235.327 3.124 20 0 BGADHN c1cn(C2CC2)c(CNCCC[C@@H]2C=CCC2)n1 ZINC000895931010 583749308 /nfs/dbraw/zinc/74/93/08/583749308.db2.gz UUXJYBHCSHEUCT-CYBMUJFWSA-N 0 3 245.370 3.054 20 0 BGADHN c1cn(C2CC2)c(CNCCC[C@H]2C=CCC2)n1 ZINC000895931011 583749505 /nfs/dbraw/zinc/74/95/05/583749505.db2.gz UUXJYBHCSHEUCT-ZDUSSCGKSA-N 0 3 245.370 3.054 20 0 BGADHN CO[C@@H]1CC[C@H](C)N(Cc2ccc(C)s2)C1 ZINC000895945811 583751047 /nfs/dbraw/zinc/75/10/47/583751047.db2.gz LKCNXIBOSUIKPN-CMPLNLGQSA-N 0 3 239.384 3.056 20 0 BGADHN CO[C@H]1CC[C@H](C)N(Cc2ccc(C)s2)C1 ZINC000895945813 583750854 /nfs/dbraw/zinc/75/08/54/583750854.db2.gz LKCNXIBOSUIKPN-JQWIXIFHSA-N 0 3 239.384 3.056 20 0 BGADHN CO[C@H]1CC[C@@H](C)N(Cc2ccc(C)s2)C1 ZINC000895945815 583751141 /nfs/dbraw/zinc/75/11/41/583751141.db2.gz LKCNXIBOSUIKPN-PWSUYJOCSA-N 0 3 239.384 3.056 20 0 BGADHN CO[C@@H]1CC[C@@H](C)N(Cc2ccc(C)s2)C1 ZINC000895945816 583751116 /nfs/dbraw/zinc/75/11/16/583751116.db2.gz LKCNXIBOSUIKPN-ZYHUDNBSSA-N 0 3 239.384 3.056 20 0 BGADHN COCC1CN(Cc2ccc(C3CCC3)cc2)C1 ZINC000895969529 583755297 /nfs/dbraw/zinc/75/52/97/583755297.db2.gz GPQWWPRPODRJPY-UHFFFAOYSA-N 0 3 245.366 3.032 20 0 BGADHN COCC1CN(Cc2ccc(C(C)(C)C)cc2)C1 ZINC000895970163 636185405 /nfs/dbraw/zinc/18/54/05/636185405.db2.gz BLMGAXFIFWXVBJ-UHFFFAOYSA-N 0 3 247.382 3.062 20 0 BGADHN [O-]c1cc(Cl)cc(C[NH2+]C[C@H]2C=CCC2)c1 ZINC000895994524 583761628 /nfs/dbraw/zinc/76/16/28/583761628.db2.gz LNIQHIAMFULBDB-JTQLQIEISA-N 0 3 237.730 3.101 20 0 BGADHN [O-]c1cc(Cl)cc(C[NH2+]C[C@@H]2C=CCC2)c1 ZINC000895994527 583761659 /nfs/dbraw/zinc/76/16/59/583761659.db2.gz LNIQHIAMFULBDB-SNVBAGLBSA-N 0 3 237.730 3.101 20 0 BGADHN CCc1onc(C)c1CNCC1(CC2CC2)CC1 ZINC000895996171 583759799 /nfs/dbraw/zinc/75/97/99/583759799.db2.gz YOQGQEXCNAQCLX-UHFFFAOYSA-N 0 3 248.370 3.215 20 0 BGADHN CCc1onc(C)c1CNC[C@]1(C)CC1(C)C ZINC000895996836 583759825 /nfs/dbraw/zinc/75/98/25/583759825.db2.gz CPGCZVDKHPWTBV-AWEZNQCLSA-N 0 3 236.359 3.071 20 0 BGADHN CCc1onc(C)c1CNC[C@@]1(C)CC1(C)C ZINC000895996837 583759617 /nfs/dbraw/zinc/75/96/17/583759617.db2.gz CPGCZVDKHPWTBV-CQSZACIVSA-N 0 3 236.359 3.071 20 0 BGADHN CCC[C@@H](C)CCNCc1nccn1C1CC1 ZINC000895997160 583759915 /nfs/dbraw/zinc/75/99/15/583759915.db2.gz HBUUMGHGCNEGBO-GFCCVEGCSA-N 0 3 235.375 3.134 20 0 BGADHN CCC[C@H](C)CCNCc1nccn1C1CC1 ZINC000895997161 583759707 /nfs/dbraw/zinc/75/97/07/583759707.db2.gz HBUUMGHGCNEGBO-LBPRGKRZSA-N 0 3 235.375 3.134 20 0 BGADHN CCC[C@@H](C)CCNCc1c(C)noc1CC ZINC000895997435 583759555 /nfs/dbraw/zinc/75/95/55/583759555.db2.gz IUKRBBLOGWJHIJ-LLVKDONJSA-N 0 3 238.375 3.461 20 0 BGADHN CCC[C@H](C)CCNCc1c(C)noc1CC ZINC000895997437 583759575 /nfs/dbraw/zinc/75/95/75/583759575.db2.gz IUKRBBLOGWJHIJ-NSHDSACASA-N 0 3 238.375 3.461 20 0 BGADHN COc1ccc(CNCC(C)(C)CC(F)F)o1 ZINC000895997738 583759890 /nfs/dbraw/zinc/75/98/90/583759890.db2.gz MMJAVJHKODTSGL-UHFFFAOYSA-N 0 3 247.285 3.059 20 0 BGADHN CCC[C@@H](C)CCNCc1ccc(OC)cn1 ZINC000895997930 583759604 /nfs/dbraw/zinc/75/96/04/583759604.db2.gz OOYKLQTTYBEWBI-GFCCVEGCSA-N 0 3 236.359 3.006 20 0 BGADHN CCC[C@H](C)CCNCc1ccc(OC)cn1 ZINC000895997931 583759680 /nfs/dbraw/zinc/75/96/80/583759680.db2.gz OOYKLQTTYBEWBI-LBPRGKRZSA-N 0 3 236.359 3.006 20 0 BGADHN CCc1onc(C)c1CN[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000896009576 583762083 /nfs/dbraw/zinc/76/20/83/583762083.db2.gz CJJAIVAXFIVVBX-SGMGOOAPSA-N 0 3 248.370 3.214 20 0 BGADHN CCOc1ccc(CN[C@@H]2C[C@@H]3CCCC[C@H]23)o1 ZINC000896017432 583763060 /nfs/dbraw/zinc/76/30/60/583763060.db2.gz ZEFOPAWNUVBTHP-FPMFFAJLSA-N 0 3 249.354 3.347 20 0 BGADHN CCOc1ccc(CNC[C@@H]2C[C@@H]2[C@H]2C[C@@H]2C)o1 ZINC000896047070 583765466 /nfs/dbraw/zinc/76/54/66/583765466.db2.gz IVDWHDYXRZKNCU-IMIFBBOLSA-N 0 3 249.354 3.060 20 0 BGADHN CCOc1ccc(CNC[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C)o1 ZINC000896047072 583765524 /nfs/dbraw/zinc/76/55/24/583765524.db2.gz IVDWHDYXRZKNCU-VTPLQMEGSA-N 0 3 249.354 3.060 20 0 BGADHN CCOc1ccc(CNC[C@@H]2C[C@@H]2[C@@H]2C[C@H]2C)o1 ZINC000896047074 583765470 /nfs/dbraw/zinc/76/54/70/583765470.db2.gz IVDWHDYXRZKNCU-WVWOOGAGSA-N 0 3 249.354 3.060 20 0 BGADHN CCOc1ccc(CNC[C@@H]2C[C@@H]2[C@H]2C[C@H]2C)o1 ZINC000896047075 583765818 /nfs/dbraw/zinc/76/58/18/583765818.db2.gz IVDWHDYXRZKNCU-XWUBHJNHSA-N 0 3 249.354 3.060 20 0 BGADHN CCOc1ccc(CNC2CCC=CCC2)o1 ZINC000896069826 583767916 /nfs/dbraw/zinc/76/79/16/583767916.db2.gz IYXULOXEAKDZBK-UHFFFAOYSA-N 0 3 235.327 3.267 20 0 BGADHN C1=CCCC(NCc2nnc(C3CC3)s2)CC1 ZINC000896070281 583767918 /nfs/dbraw/zinc/76/79/18/583767918.db2.gz SUNAFPUVLJUANG-UHFFFAOYSA-N 0 3 249.383 3.004 20 0 BGADHN CC(C)Cc1ccc(CN(C)CCCF)cn1 ZINC000896070491 583768126 /nfs/dbraw/zinc/76/81/26/583768126.db2.gz XAFZNOWIYYJUPS-UHFFFAOYSA-N 0 3 238.350 3.072 20 0 BGADHN CSCc1ccc(CN(C)CCCF)cc1 ZINC000896070518 583768002 /nfs/dbraw/zinc/76/80/02/583768002.db2.gz YARCMPNLOCGTNH-UHFFFAOYSA-N 0 3 241.375 3.341 20 0 BGADHN CCOc1ccc(CNC2(C3CC3)CCC2)o1 ZINC000896071609 583767914 /nfs/dbraw/zinc/76/79/14/583767914.db2.gz QTVYPMMCUFHSOW-UHFFFAOYSA-N 0 3 235.327 3.101 20 0 BGADHN c1coc(CN2C[C@@H]3C[C@]3(c3ccccc3)C2)c1 ZINC000896230163 583784406 /nfs/dbraw/zinc/78/44/06/583784406.db2.gz HUNUDCYNDWLYOX-GOEBONIOSA-N 0 3 239.318 3.053 20 0 BGADHN c1coc(CN2C[C@H]3C[C@@]3(c3ccccc3)C2)c1 ZINC000896230165 583784357 /nfs/dbraw/zinc/78/43/57/583784357.db2.gz HUNUDCYNDWLYOX-ZBFHGGJFSA-N 0 3 239.318 3.053 20 0 BGADHN c1cc(CN2C[C@H]3C[C@@]3(c3ccccc3)C2)co1 ZINC000896231020 583784325 /nfs/dbraw/zinc/78/43/25/583784325.db2.gz IEPKAHKFBGDZAY-CVEARBPZSA-N 0 3 239.318 3.053 20 0 BGADHN c1cc(CN2C[C@@H]3C[C@]3(c3ccccc3)C2)co1 ZINC000896231023 583784202 /nfs/dbraw/zinc/78/42/02/583784202.db2.gz IEPKAHKFBGDZAY-JKSUJKDBSA-N 0 3 239.318 3.053 20 0 BGADHN CCc1onc(C)c1CNCC[C@@H]1C[C@H]1C1CC1 ZINC000896262019 583787675 /nfs/dbraw/zinc/78/76/75/583787675.db2.gz BWWWUSLKLAEGEU-OLZOCXBDSA-N 0 3 248.370 3.071 20 0 BGADHN c1c(CNCC[C@@H]2C[C@H]2C2CC2)onc1C1CC1 ZINC000896262325 583787242 /nfs/dbraw/zinc/78/72/42/583787242.db2.gz FHAHTPFXNAWLBC-OCCSQVGLSA-N 0 3 246.354 3.078 20 0 BGADHN CCc1onc(C)c1CNC[C@]12C[C@H]1CCCC2 ZINC000896266278 583787514 /nfs/dbraw/zinc/78/75/14/583787514.db2.gz BZMYMZWQHOOFGJ-DOMZBBRYSA-N 0 3 248.370 3.215 20 0 BGADHN CCc1onc(C)c1CNC[C@@]12C[C@@H]1CCCC2 ZINC000896266286 583787540 /nfs/dbraw/zinc/78/75/40/583787540.db2.gz BZMYMZWQHOOFGJ-SWLSCSKDSA-N 0 3 248.370 3.215 20 0 BGADHN c1c(CNC[C@]23C[C@H]2CCCC3)onc1C1CC1 ZINC000896266370 583788249 /nfs/dbraw/zinc/78/82/49/583788249.db2.gz DGNBIQQABHSQPL-DOMZBBRYSA-N 0 3 246.354 3.222 20 0 BGADHN c1c(CNC[C@@]23C[C@@H]2CCCC3)onc1C1CC1 ZINC000896266372 583788174 /nfs/dbraw/zinc/78/81/74/583788174.db2.gz DGNBIQQABHSQPL-SWLSCSKDSA-N 0 3 246.354 3.222 20 0 BGADHN CCc1onc(C)c1CNCC[C@@H]1CC[C@H]2C[C@H]21 ZINC000896272073 583788739 /nfs/dbraw/zinc/78/87/39/583788739.db2.gz BDCICQKCAGKDBR-AVGNSLFASA-N 0 3 248.370 3.071 20 0 BGADHN CCc1onc(C)c1CNCC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000896272076 583788647 /nfs/dbraw/zinc/78/86/47/583788647.db2.gz BDCICQKCAGKDBR-YNEHKIRRSA-N 0 3 248.370 3.071 20 0 BGADHN CC1=CC[C@@H](NCc2nc3c(s2)CCC3)CC1 ZINC000896288079 583789031 /nfs/dbraw/zinc/78/90/31/583789031.db2.gz TUOMRHOOCHEJGS-LLVKDONJSA-N 0 3 248.395 3.220 20 0 BGADHN CC1=CC[C@H](NCc2nc3c(s2)CCC3)CC1 ZINC000896288080 583789016 /nfs/dbraw/zinc/78/90/16/583789016.db2.gz TUOMRHOOCHEJGS-NSHDSACASA-N 0 3 248.395 3.220 20 0 BGADHN C[C@@H]1C[C@H](C)CCN(Cc2nccn2C2CC2)C1 ZINC000896479245 583805072 /nfs/dbraw/zinc/80/50/72/583805072.db2.gz AKGNTHUMSCZNNK-CHWSQXEVSA-N 0 3 247.386 3.086 20 0 BGADHN C[C@@H]1CCN(Cc2cccc(C3CC3)c2)CCO1 ZINC000896577755 583814215 /nfs/dbraw/zinc/81/42/15/583814215.db2.gz OHQSAJSTNSUZIH-CYBMUJFWSA-N 0 3 245.366 3.175 20 0 BGADHN C[C@H]1CCN(Cc2cccc(C3CC3)c2)CCO1 ZINC000896577756 583814714 /nfs/dbraw/zinc/81/47/14/583814714.db2.gz OHQSAJSTNSUZIH-ZDUSSCGKSA-N 0 3 245.366 3.175 20 0 BGADHN C[C@@H]1CCN(Cc2ccc3occc3c2)CCO1 ZINC000896578935 583814233 /nfs/dbraw/zinc/81/42/33/583814233.db2.gz XWTBIYQIGQEUBL-GFCCVEGCSA-N 0 3 245.322 3.044 20 0 BGADHN C[C@H]1CCN(Cc2ccc3occc3c2)CCO1 ZINC000896578936 583814719 /nfs/dbraw/zinc/81/47/19/583814719.db2.gz XWTBIYQIGQEUBL-LBPRGKRZSA-N 0 3 245.322 3.044 20 0 BGADHN C/C(=C/c1ccccc1)CN1CCO[C@H](C)CC1 ZINC000896583830 583815505 /nfs/dbraw/zinc/81/55/05/583815505.db2.gz IGKFKPCEWGFYSR-IKESIWSLSA-N 0 3 245.366 3.201 20 0 BGADHN C/C(=C\c1ccccc1)CN1CCO[C@H](C)CC1 ZINC000896583831 583815338 /nfs/dbraw/zinc/81/53/38/583815338.db2.gz IGKFKPCEWGFYSR-OKFGHLOFSA-N 0 3 245.366 3.201 20 0 BGADHN C/C(=C\c1ccccc1)CN1CCO[C@@H](C)CC1 ZINC000896583832 583815658 /nfs/dbraw/zinc/81/56/58/583815658.db2.gz IGKFKPCEWGFYSR-ZQHYZAEZSA-N 0 3 245.366 3.201 20 0 BGADHN C/C(=C/c1ccccc1)CN1CCO[C@@H](C)CC1 ZINC000896583833 583815709 /nfs/dbraw/zinc/81/57/09/583815709.db2.gz IGKFKPCEWGFYSR-ZSMUJPCHSA-N 0 3 245.366 3.201 20 0 BGADHN C[C@@H]1CCN(Cc2coc3ccccc23)CCO1 ZINC000896584559 583815067 /nfs/dbraw/zinc/81/50/67/583815067.db2.gz PEOHNTYNOMUYEY-GFCCVEGCSA-N 0 3 245.322 3.044 20 0 BGADHN C[C@H]1CCN(Cc2coc3ccccc23)CCO1 ZINC000896584560 583815288 /nfs/dbraw/zinc/81/52/88/583815288.db2.gz PEOHNTYNOMUYEY-LBPRGKRZSA-N 0 3 245.322 3.044 20 0 BGADHN CC(C)CCCCN[C@H](c1ncccn1)C1CC1 ZINC000896597227 583816946 /nfs/dbraw/zinc/81/69/46/583816946.db2.gz PULLTHNTUYYFNK-AWEZNQCLSA-N 0 3 247.386 3.344 20 0 BGADHN CC(C)CCCCN[C@@H](c1ncccn1)C1CC1 ZINC000896597228 583816660 /nfs/dbraw/zinc/81/66/60/583816660.db2.gz PULLTHNTUYYFNK-CQSZACIVSA-N 0 3 247.386 3.344 20 0 BGADHN CC1=CC[C@H](N[C@H](c2ncccn2)C2CC2)CC1 ZINC000896598105 583816685 /nfs/dbraw/zinc/81/66/85/583816685.db2.gz CMGPYAYHYJFOPI-KBPBESRZSA-N 0 3 243.354 3.016 20 0 BGADHN CC1=CC[C@@H](N[C@H](c2ncccn2)C2CC2)CC1 ZINC000896598106 583816730 /nfs/dbraw/zinc/81/67/30/583816730.db2.gz CMGPYAYHYJFOPI-KGLIPLIRSA-N 0 3 243.354 3.016 20 0 BGADHN CC1=CC[C@H](N[C@@H](c2ncccn2)C2CC2)CC1 ZINC000896598107 583816781 /nfs/dbraw/zinc/81/67/81/583816781.db2.gz CMGPYAYHYJFOPI-UONOGXRCSA-N 0 3 243.354 3.016 20 0 BGADHN CC1=CC[C@@H](N[C@@H](c2ncccn2)C2CC2)CC1 ZINC000896598108 583816953 /nfs/dbraw/zinc/81/69/53/583816953.db2.gz CMGPYAYHYJFOPI-ZIAGYGMSSA-N 0 3 243.354 3.016 20 0 BGADHN CS[C@@H]1CC[C@H]1N[C@H](c1ccccn1)C1CC1 ZINC000896607994 583817343 /nfs/dbraw/zinc/81/73/43/583817343.db2.gz CBOTUCGLULDDGD-BNOWGMLFSA-N 0 3 248.395 3.016 20 0 BGADHN CS[C@@H]1CC[C@@H]1N[C@@H](c1ccccn1)C1CC1 ZINC000896607996 583817173 /nfs/dbraw/zinc/81/71/73/583817173.db2.gz CBOTUCGLULDDGD-IACUBPJLSA-N 0 3 248.395 3.016 20 0 BGADHN CS[C@@H]1CC[C@H]1N[C@@H](c1ccccn1)C1CC1 ZINC000896607998 583817272 /nfs/dbraw/zinc/81/72/72/583817272.db2.gz CBOTUCGLULDDGD-MRVWCRGKSA-N 0 3 248.395 3.016 20 0 BGADHN CS[C@@H]1CC[C@@H]1N[C@H](c1ccccn1)C1CC1 ZINC000896608000 583817447 /nfs/dbraw/zinc/81/74/47/583817447.db2.gz CBOTUCGLULDDGD-YUTCNCBUSA-N 0 3 248.395 3.016 20 0 BGADHN c1ccc([C@@H](NC2CC3(CCC3)C2)C2CC2)nc1 ZINC000896609938 583817450 /nfs/dbraw/zinc/81/74/50/583817450.db2.gz QXLZUFMXQLIBFZ-HNNXBMFYSA-N 0 3 242.366 3.455 20 0 BGADHN c1ccc([C@H](NC2CC3(CCC3)C2)C2CC2)nc1 ZINC000896609939 583817422 /nfs/dbraw/zinc/81/74/22/583817422.db2.gz QXLZUFMXQLIBFZ-OAHLLOKOSA-N 0 3 242.366 3.455 20 0 BGADHN C[C@@H]1C[C@@H](N[C@@H](c2ccccn2)C2CC2)CS1 ZINC000896609988 583818324 /nfs/dbraw/zinc/81/83/24/583818324.db2.gz RXWUJVGVALNWFV-MPKXVKKWSA-N 0 3 248.395 3.016 20 0 BGADHN C[C@@H]1C[C@H](N[C@H](c2ccccn2)C2CC2)CS1 ZINC000896609989 583817856 /nfs/dbraw/zinc/81/78/56/583817856.db2.gz RXWUJVGVALNWFV-OSMZGAPFSA-N 0 3 248.395 3.016 20 0 BGADHN C[C@@H]1C[C@@H](N[C@H](c2ccccn2)C2CC2)CS1 ZINC000896609990 583818036 /nfs/dbraw/zinc/81/80/36/583818036.db2.gz RXWUJVGVALNWFV-QKCSRTOESA-N 0 3 248.395 3.016 20 0 BGADHN C[C@@H]1C[C@H](N[C@@H](c2ccccn2)C2CC2)CS1 ZINC000896609991 583817675 /nfs/dbraw/zinc/81/76/75/583817675.db2.gz RXWUJVGVALNWFV-SCDSUCTJSA-N 0 3 248.395 3.016 20 0 BGADHN C[C@@H]1SCC[C@@H]1N[C@H](c1ccccn1)C1CC1 ZINC000896612135 583817162 /nfs/dbraw/zinc/81/71/62/583817162.db2.gz HRKKDLFODVPHKR-JKOKRWQUSA-N 0 3 248.395 3.016 20 0 BGADHN C[C@@H]1SCC[C@H]1N[C@H](c1ccccn1)C1CC1 ZINC000896612136 583817237 /nfs/dbraw/zinc/81/72/37/583817237.db2.gz HRKKDLFODVPHKR-SUHUHFCYSA-N 0 3 248.395 3.016 20 0 BGADHN C[C@@H]1SCC[C@@H]1N[C@@H](c1ccccn1)C1CC1 ZINC000896612137 583817331 /nfs/dbraw/zinc/81/73/31/583817331.db2.gz HRKKDLFODVPHKR-VHRBIJSZSA-N 0 3 248.395 3.016 20 0 BGADHN C[C@@H]1SCC[C@H]1N[C@@H](c1ccccn1)C1CC1 ZINC000896612138 583817459 /nfs/dbraw/zinc/81/74/59/583817459.db2.gz HRKKDLFODVPHKR-ZKYQVNSYSA-N 0 3 248.395 3.016 20 0 BGADHN CC(C)(/C=C\Cl)NC[C@@H]1CC1(Cl)Cl ZINC000896746796 583830098 /nfs/dbraw/zinc/83/00/98/583830098.db2.gz HBWNHYOEMZOUQJ-AVALRIAPSA-N 0 3 242.577 3.301 20 0 BGADHN CC(C)(/C=C\Cl)NC[C@H]1CC1(Cl)Cl ZINC000896746808 583829959 /nfs/dbraw/zinc/82/99/59/583829959.db2.gz HBWNHYOEMZOUQJ-KFOINNEUSA-N 0 3 242.577 3.301 20 0 BGADHN CC(C)(/C=C/Cl)NC[C@H]1CC1(Cl)Cl ZINC000896746810 583830051 /nfs/dbraw/zinc/83/00/51/583830051.db2.gz HBWNHYOEMZOUQJ-KGGZQZJCSA-N 0 3 242.577 3.301 20 0 BGADHN CC(C)(/C=C/Cl)NC[C@@H]1CC1(Cl)Cl ZINC000896746811 583830397 /nfs/dbraw/zinc/83/03/97/583830397.db2.gz HBWNHYOEMZOUQJ-SDLBARTOSA-N 0 3 242.577 3.301 20 0 BGADHN CC[C@H](C)[C@@H](CNC(C)(C)/C=C/Cl)OC ZINC000896747413 583830224 /nfs/dbraw/zinc/83/02/24/583830224.db2.gz LMCDWIBZZANXDC-IAYMVZNDSA-N 0 3 233.783 3.168 20 0 BGADHN CC[C@H](C)[C@H](CNC(C)(C)/C=C/Cl)OC ZINC000896747414 583830250 /nfs/dbraw/zinc/83/02/50/583830250.db2.gz LMCDWIBZZANXDC-IJUHFESZSA-N 0 3 233.783 3.168 20 0 BGADHN CC[C@H](C)[C@@H](CNC(C)(C)/C=C\Cl)OC ZINC000896747415 583830005 /nfs/dbraw/zinc/83/00/05/583830005.db2.gz LMCDWIBZZANXDC-MYEMAUTDSA-N 0 3 233.783 3.168 20 0 BGADHN CC[C@H](C)[C@H](CNC(C)(C)/C=C\Cl)OC ZINC000896747416 583830197 /nfs/dbraw/zinc/83/01/97/583830197.db2.gz LMCDWIBZZANXDC-ZXXKLBARSA-N 0 3 233.783 3.168 20 0 BGADHN CO[C@@H](CNC(C)(C)/C=C\Cl)CC(C)C ZINC000896748486 583830203 /nfs/dbraw/zinc/83/02/03/583830203.db2.gz VXGRHRJNUIDYJX-JMEBYUIHSA-N 0 3 233.783 3.168 20 0 BGADHN CO[C@H](CNC(C)(C)/C=C/Cl)CC(C)C ZINC000896748487 583830311 /nfs/dbraw/zinc/83/03/11/583830311.db2.gz VXGRHRJNUIDYJX-MLRMMBSGSA-N 0 3 233.783 3.168 20 0 BGADHN CO[C@@H](CNC(C)(C)/C=C/Cl)CC(C)C ZINC000896748488 583830049 /nfs/dbraw/zinc/83/00/49/583830049.db2.gz VXGRHRJNUIDYJX-XUIVZRPNSA-N 0 3 233.783 3.168 20 0 BGADHN CO[C@H](CNC(C)(C)/C=C\Cl)CC(C)C ZINC000896748490 583830399 /nfs/dbraw/zinc/83/03/99/583830399.db2.gz VXGRHRJNUIDYJX-ZADCQDASSA-N 0 3 233.783 3.168 20 0 BGADHN CCOc1ccc(CNCCC2CC=CC2)o1 ZINC000896864399 583842720 /nfs/dbraw/zinc/84/27/20/583842720.db2.gz ILRSYVLUBJTRKE-UHFFFAOYSA-N 0 3 235.327 3.124 20 0 BGADHN Clc1csc(CNCCC2CC=CC2)n1 ZINC000896865041 583842444 /nfs/dbraw/zinc/84/24/44/583842444.db2.gz RKSRDOAYKZKHPF-UHFFFAOYSA-N 0 3 242.775 3.242 20 0 BGADHN CSCC1CCN(Cc2cc(C)co2)CC1 ZINC000896934999 583862011 /nfs/dbraw/zinc/86/20/11/583862011.db2.gz YAJPWWXMTWFOHC-UHFFFAOYSA-N 0 3 239.384 3.163 20 0 BGADHN CSCC1CCN(Cc2ccc(C)o2)CC1 ZINC000896937304 583862480 /nfs/dbraw/zinc/86/24/80/583862480.db2.gz ONRITMUQYHSRPY-UHFFFAOYSA-N 0 3 239.384 3.163 20 0 BGADHN CSCC1CCN(Cc2occc2C)CC1 ZINC000896937642 583861648 /nfs/dbraw/zinc/86/16/48/583861648.db2.gz XZYIVKHEFSPZDV-UHFFFAOYSA-N 0 3 239.384 3.163 20 0 BGADHN CSCC1CCN(Cc2ccoc2C)CC1 ZINC000896940563 583863140 /nfs/dbraw/zinc/86/31/40/583863140.db2.gz GAWQLWLHFKEBCG-UHFFFAOYSA-N 0 3 239.384 3.163 20 0 BGADHN Cc1occc1CN1CCC(F)(C2CC2)CC1 ZINC000896945979 583863076 /nfs/dbraw/zinc/86/30/76/583863076.db2.gz LBVCILYVPMMSJY-UHFFFAOYSA-N 0 3 237.318 3.302 20 0 BGADHN Cc1coc(CN2CCC(F)(C3CC3)CC2)c1 ZINC000896946040 583863146 /nfs/dbraw/zinc/86/31/46/583863146.db2.gz OBJITTAWFWBZQR-UHFFFAOYSA-N 0 3 237.318 3.302 20 0 BGADHN Cc1ccoc1CN1CCC(F)(C2CC2)CC1 ZINC000896946402 583863423 /nfs/dbraw/zinc/86/34/23/583863423.db2.gz JGJNFPBVIHVQDN-UHFFFAOYSA-N 0 3 237.318 3.302 20 0 BGADHN Oc1cccc(CN2CCC(F)(C3CC3)CC2)c1 ZINC000896946879 583863356 /nfs/dbraw/zinc/86/33/56/583863356.db2.gz OKESWWLOIGZETR-UHFFFAOYSA-N 0 3 249.329 3.106 20 0 BGADHN Cc1ccc(CN2CCC(F)(C3CC3)CC2)o1 ZINC000896947382 583863329 /nfs/dbraw/zinc/86/33/29/583863329.db2.gz UTYSCCMDHKWIQG-UHFFFAOYSA-N 0 3 237.318 3.302 20 0 BGADHN CCO[C@H]1CCN(Cc2cccc(C3CC3)c2)C1 ZINC000897066871 583876298 /nfs/dbraw/zinc/87/62/98/583876298.db2.gz ANCCNZLRXPNMMW-INIZCTEOSA-N 0 3 245.366 3.175 20 0 BGADHN CCO[C@H]1CCN(Cc2ccc3occc3c2)C1 ZINC000897067852 583877033 /nfs/dbraw/zinc/87/70/33/583877033.db2.gz OVGTZQLAIDERAI-AWEZNQCLSA-N 0 3 245.322 3.044 20 0 BGADHN CCO[C@H]1CCN(Cc2coc3ccccc23)C1 ZINC000897068354 583877400 /nfs/dbraw/zinc/87/74/00/583877400.db2.gz KLDGQRNXDKDTKY-ZDUSSCGKSA-N 0 3 245.322 3.044 20 0 BGADHN CCO[C@H]1CCN(C/C(C)=C\c2ccccc2)C1 ZINC000897069173 583877464 /nfs/dbraw/zinc/87/74/64/583877464.db2.gz QPAPUDUHPKIXGZ-QBOMHBFWSA-N 0 3 245.366 3.201 20 0 BGADHN CCO[C@H]1CCN(C/C(C)=C/c2ccccc2)C1 ZINC000897069174 583877047 /nfs/dbraw/zinc/87/70/47/583877047.db2.gz QPAPUDUHPKIXGZ-UKYUDJEDSA-N 0 3 245.366 3.201 20 0 BGADHN CC(C)CCCCNCc1cc(C2CC2)n(C)n1 ZINC000897230105 636277828 /nfs/dbraw/zinc/27/78/28/636277828.db2.gz DYIJOJQDEHDQIE-UHFFFAOYSA-N 0 3 249.402 3.213 20 0 BGADHN CC(C)C[C@@H](C)CNCc1cc(C2CC2)n(C)n1 ZINC000897232312 711785151 /nfs/dbraw/zinc/78/51/51/711785151.db2.gz QIOAZBRCTNTRPE-GFCCVEGCSA-N 0 3 249.402 3.069 20 0 BGADHN CC(C)C[C@H](C)CNCc1cc(C2CC2)n(C)n1 ZINC000897232313 711785147 /nfs/dbraw/zinc/78/51/47/711785147.db2.gz QIOAZBRCTNTRPE-LBPRGKRZSA-N 0 3 249.402 3.069 20 0 BGADHN CCc1onc(C)c1CNCC1CCC=CCC1 ZINC000897242714 583901225 /nfs/dbraw/zinc/90/12/25/583901225.db2.gz HONBXGGUVKOTMJ-UHFFFAOYSA-N 0 3 248.370 3.381 20 0 BGADHN COc1ccc(CNCC2CCC=CCC2)o1 ZINC000897242731 583901077 /nfs/dbraw/zinc/90/10/77/583901077.db2.gz IIYBXNXDMBVWBD-UHFFFAOYSA-N 0 3 235.327 3.124 20 0 BGADHN c1cn(C2CC2)c(CNCC2CCC=CCC2)n1 ZINC000897243025 583901151 /nfs/dbraw/zinc/90/11/51/583901151.db2.gz XXNOXVUNKRFQMY-UHFFFAOYSA-N 0 3 245.370 3.054 20 0 BGADHN c1c(CNCC2CCC=CCC2)onc1C1CC1 ZINC000897244318 583901590 /nfs/dbraw/zinc/90/15/90/583901590.db2.gz CFJFNWCWXUPPFO-UHFFFAOYSA-N 0 3 246.354 3.388 20 0 BGADHN CC(C)=CCC[C@@H](C)[NH2+]Cc1cncc([O-])c1 ZINC000897315548 583919109 /nfs/dbraw/zinc/91/91/09/583919109.db2.gz NLLVROPZXVLTLA-GFCCVEGCSA-N 0 3 234.343 3.012 20 0 BGADHN CC(C)=CCC[C@H](C)[NH2+]Cc1cncc([O-])c1 ZINC000897315549 583919240 /nfs/dbraw/zinc/91/92/40/583919240.db2.gz NLLVROPZXVLTLA-LBPRGKRZSA-N 0 3 234.343 3.012 20 0 BGADHN CCc1onc(C)c1CN[C@@H]1CC=C(C)CC1 ZINC000897336726 583925005 /nfs/dbraw/zinc/92/50/05/583925005.db2.gz MYJGHMJVZKAOOW-GFCCVEGCSA-N 0 3 234.343 3.134 20 0 BGADHN CCc1onc(C)c1CN[C@H]1CC=C(C)CC1 ZINC000897336727 583924916 /nfs/dbraw/zinc/92/49/16/583924916.db2.gz MYJGHMJVZKAOOW-LBPRGKRZSA-N 0 3 234.343 3.134 20 0 BGADHN CCc1onc(C)c1CNC[C@H](C)CC(C)C ZINC000897336759 583925145 /nfs/dbraw/zinc/92/51/45/583925145.db2.gz OJZRCJSJIGKQJV-LLVKDONJSA-N 0 3 238.375 3.317 20 0 BGADHN CCc1onc(C)c1CNC[C@@H](C)CC(C)C ZINC000897336793 583925024 /nfs/dbraw/zinc/92/50/24/583925024.db2.gz OJZRCJSJIGKQJV-NSHDSACASA-N 0 3 238.375 3.317 20 0 BGADHN [O-]c1cc(Cl)cc(C[NH2+][C@]23C[C@H]2CCC3)c1 ZINC000897374685 711788437 /nfs/dbraw/zinc/78/84/37/711788437.db2.gz AAYHVIZQODPWCS-ZWNOBZJWSA-N 0 3 237.730 3.078 20 0 BGADHN CC(C)CCCCN(C)Cc1cccc(=O)[nH]1 ZINC000897391398 583948482 /nfs/dbraw/zinc/94/84/82/583948482.db2.gz NXWSGGKDWCQLBN-UHFFFAOYSA-N 0 3 236.359 3.045 20 0 BGADHN CC(C)c1c[nH]c(CNCC(C)(C)C2CC2)n1 ZINC000897434766 583974911 /nfs/dbraw/zinc/97/49/11/583974911.db2.gz AECHFGTUSVVOFB-UHFFFAOYSA-N 0 3 235.375 3.059 20 0 BGADHN Cc1nc(CNCC(C)(C)C2CC2)sc1C ZINC000897435018 583975958 /nfs/dbraw/zinc/97/59/58/583975958.db2.gz FXLAPZDETHMJGD-UHFFFAOYSA-N 0 3 238.400 3.286 20 0 BGADHN Cc1coc(CNCC(C)(C)C2CC2)c1 ZINC000897435025 583975980 /nfs/dbraw/zinc/97/59/80/583975980.db2.gz GFUNSHANSQTBPK-UHFFFAOYSA-N 0 3 207.317 3.114 20 0 BGADHN CCc1onc(C)c1CNCC(C)(C)C1CC1 ZINC000897435050 583975978 /nfs/dbraw/zinc/97/59/78/583975978.db2.gz GVFLPWVRZMNOIW-UHFFFAOYSA-N 0 3 236.359 3.071 20 0 BGADHN CC(C)(CNCc1ccc(Cl)cn1)C1CC1 ZINC000897435190 583976192 /nfs/dbraw/zinc/97/61/92/583976192.db2.gz HZFOPHPTVAJJHS-UHFFFAOYSA-N 0 3 238.762 3.261 20 0 BGADHN CCOc1ccc(CNCC(C)(C)C2CC2)o1 ZINC000897435197 583976412 /nfs/dbraw/zinc/97/64/12/583976412.db2.gz IKEHBXDVYCPYOP-UHFFFAOYSA-N 0 3 237.343 3.204 20 0 BGADHN CC(C)(CNCc1cc(C2CC2)no1)C1CC1 ZINC000897435904 583976427 /nfs/dbraw/zinc/97/64/27/583976427.db2.gz RWTVWPQYXDVDIY-UHFFFAOYSA-N 0 3 234.343 3.078 20 0 BGADHN CC(C)(CNCc1ccncc1Cl)C1CC1 ZINC000897437356 583979851 /nfs/dbraw/zinc/97/98/51/583979851.db2.gz JNGWGYJTKRPNIU-UHFFFAOYSA-N 0 3 238.762 3.261 20 0 BGADHN CC(C)(CNCc1ccc2c(n1)CCC2)C1CC1 ZINC000897437989 583983406 /nfs/dbraw/zinc/98/34/06/583983406.db2.gz RKJYDBPXHFNMIV-UHFFFAOYSA-N 0 3 244.382 3.096 20 0 BGADHN CC(C)(C[NH2+]Cc1ccc([O-])c(F)c1)C1CC1 ZINC000897438003 583983727 /nfs/dbraw/zinc/98/37/27/583983727.db2.gz RRUPAPAWVHJHHK-UHFFFAOYSA-N 0 3 237.318 3.057 20 0 BGADHN CC(C)(CNCc1nc(Cl)cs1)C1CC1 ZINC000897438231 583983411 /nfs/dbraw/zinc/98/34/11/583983411.db2.gz SXLMJHMEQQPTJS-UHFFFAOYSA-N 0 3 244.791 3.322 20 0 BGADHN CCc1cnc(CNCC(C)(C)C2CC2)s1 ZINC000897438321 583983502 /nfs/dbraw/zinc/98/35/02/583983502.db2.gz AFXQBXIMBJNMEG-UHFFFAOYSA-N 0 3 238.400 3.231 20 0 BGADHN CC(C)(CNCc1nc2ccccc2o1)C1CC1 ZINC000897438538 583983782 /nfs/dbraw/zinc/98/37/82/583983782.db2.gz XHRIGDXFTXGHBT-UHFFFAOYSA-N 0 3 244.338 3.354 20 0 BGADHN CC(C)(CNCc1ncc(Cl)s1)C1CC1 ZINC000897439053 583983971 /nfs/dbraw/zinc/98/39/71/583983971.db2.gz NPZOFSUSJLBDDS-UHFFFAOYSA-N 0 3 244.791 3.322 20 0 BGADHN Cc1ccc(CNCC(C)(C)C2CC2)o1 ZINC000897442229 583984916 /nfs/dbraw/zinc/98/49/16/583984916.db2.gz CWWOABBKBXUKBN-UHFFFAOYSA-N 0 3 207.317 3.114 20 0 BGADHN CC(C)(CNCc1cccnc1Cl)C1CC1 ZINC000897442382 583984659 /nfs/dbraw/zinc/98/46/59/583984659.db2.gz FJKVQCCXCXSHDB-UHFFFAOYSA-N 0 3 238.762 3.261 20 0 BGADHN Cc1ccoc1CNCC(C)(C)C1CC1 ZINC000897442985 583984816 /nfs/dbraw/zinc/98/48/16/583984816.db2.gz OBEXFKUNUNGENU-UHFFFAOYSA-N 0 3 207.317 3.114 20 0 BGADHN CCc1nc(CNCC(C)(C)C2CC2)cs1 ZINC000897443771 583985002 /nfs/dbraw/zinc/98/50/02/583985002.db2.gz ZXWIKXPYRNJSSV-UHFFFAOYSA-N 0 3 238.400 3.231 20 0 BGADHN COc1c(Cl)cccc1CN[C@H](C)C1CC1 ZINC000897482940 583992155 /nfs/dbraw/zinc/99/21/55/583992155.db2.gz XSHTUCFYOCTHSG-SECBINFHSA-N 0 3 239.746 3.237 20 0 BGADHN COc1c(Cl)cccc1CN[C@@H](C)C1CC1 ZINC000897482941 583992185 /nfs/dbraw/zinc/99/21/85/583992185.db2.gz XSHTUCFYOCTHSG-VIFPVBQESA-N 0 3 239.746 3.237 20 0 BGADHN Cc1coc(CN[C@H]2CCOC23CCCCC3)c1 ZINC000897728049 584042966 /nfs/dbraw/zinc/04/29/66/584042966.db2.gz YEDAVPHSXUDSFC-AWEZNQCLSA-N 0 3 249.354 3.169 20 0 BGADHN Cc1coc(CN[C@@H]2CCOC23CCCCC3)c1 ZINC000897728050 584042877 /nfs/dbraw/zinc/04/28/77/584042877.db2.gz YEDAVPHSXUDSFC-CQSZACIVSA-N 0 3 249.354 3.169 20 0 BGADHN Fc1cnccc1CN[C@@H]1CCCC2(CC2)C1 ZINC000897772117 584045290 /nfs/dbraw/zinc/04/52/90/584045290.db2.gz MGSHUBXLLVXWDE-GFCCVEGCSA-N 0 3 234.318 3.033 20 0 BGADHN Fc1cnccc1CN[C@H]1CCCC2(CC2)C1 ZINC000897772118 584045580 /nfs/dbraw/zinc/04/55/80/584045580.db2.gz MGSHUBXLLVXWDE-LBPRGKRZSA-N 0 3 234.318 3.033 20 0 BGADHN CCc1nocc1CN[C@@H]1CCCC2(CC2)C1 ZINC000897772141 584045302 /nfs/dbraw/zinc/04/53/02/584045302.db2.gz MXXUMHLZWRGNSE-GFCCVEGCSA-N 0 3 234.343 3.049 20 0 BGADHN CCc1nocc1CN[C@H]1CCCC2(CC2)C1 ZINC000897772142 584045421 /nfs/dbraw/zinc/04/54/21/584045421.db2.gz MXXUMHLZWRGNSE-LBPRGKRZSA-N 0 3 234.343 3.049 20 0 BGADHN CCOc1ccc(CN[C@@H]2CCCC3(CC3)C2)o1 ZINC000897772202 584045295 /nfs/dbraw/zinc/04/52/95/584045295.db2.gz OHGPYBGBKREYQS-GFCCVEGCSA-N 0 3 249.354 3.491 20 0 BGADHN CCOc1ccc(CN[C@H]2CCCC3(CC3)C2)o1 ZINC000897772203 584045353 /nfs/dbraw/zinc/04/53/53/584045353.db2.gz OHGPYBGBKREYQS-LBPRGKRZSA-N 0 3 249.354 3.491 20 0 BGADHN COc1ccc(CN[C@@H]2CCCC3(CC3)C2)o1 ZINC000897772237 584045360 /nfs/dbraw/zinc/04/53/60/584045360.db2.gz PJMDSJHCXYHNFR-LLVKDONJSA-N 0 3 235.327 3.101 20 0 BGADHN COc1ccc(CN[C@H]2CCCC3(CC3)C2)o1 ZINC000897772238 584045559 /nfs/dbraw/zinc/04/55/59/584045559.db2.gz PJMDSJHCXYHNFR-NSHDSACASA-N 0 3 235.327 3.101 20 0 BGADHN CC(C)c1c[nH]c(CN[C@@H]2CCCC3(CC3)C2)n1 ZINC000897772337 584045632 /nfs/dbraw/zinc/04/56/32/584045632.db2.gz RHRMEMXITYSPCI-GFCCVEGCSA-N 0 3 247.386 3.346 20 0 BGADHN CC(C)c1c[nH]c(CN[C@H]2CCCC3(CC3)C2)n1 ZINC000897772338 584045313 /nfs/dbraw/zinc/04/53/13/584045313.db2.gz RHRMEMXITYSPCI-LBPRGKRZSA-N 0 3 247.386 3.346 20 0 BGADHN Cc1coc(CN[C@@H]2CCSC(C)(C)C2)c1 ZINC000897790406 584048611 /nfs/dbraw/zinc/04/86/11/584048611.db2.gz VAHYUGNNVMHNEJ-LLVKDONJSA-N 0 3 239.384 3.352 20 0 BGADHN Cc1coc(CN[C@H]2CCSC(C)(C)C2)c1 ZINC000897790409 584048938 /nfs/dbraw/zinc/04/89/38/584048938.db2.gz VAHYUGNNVMHNEJ-NSHDSACASA-N 0 3 239.384 3.352 20 0 BGADHN Cc1ccoc1CN[C@@H]1CCSC(C)(C)C1 ZINC000897797297 584049243 /nfs/dbraw/zinc/04/92/43/584049243.db2.gz FLKRBZUNQZQPMO-LLVKDONJSA-N 0 3 239.384 3.352 20 0 BGADHN Cc1ccoc1CN[C@H]1CCSC(C)(C)C1 ZINC000897797298 584049535 /nfs/dbraw/zinc/04/95/35/584049535.db2.gz FLKRBZUNQZQPMO-NSHDSACASA-N 0 3 239.384 3.352 20 0 BGADHN Cc1ccc(CN[C@@H]2CCSC(C)(C)C2)o1 ZINC000897799936 584049710 /nfs/dbraw/zinc/04/97/10/584049710.db2.gz MMSJYWZQSGWHBI-LLVKDONJSA-N 0 3 239.384 3.352 20 0 BGADHN Cc1ccc(CN[C@H]2CCSC(C)(C)C2)o1 ZINC000897799937 584050035 /nfs/dbraw/zinc/05/00/35/584050035.db2.gz MMSJYWZQSGWHBI-NSHDSACASA-N 0 3 239.384 3.352 20 0 BGADHN CC1(C)C[C@@H](NCc2ccco2)CCS1 ZINC000897800543 584049872 /nfs/dbraw/zinc/04/98/72/584049872.db2.gz RQXZEJFYLDXAFW-JTQLQIEISA-N 0 3 225.357 3.043 20 0 BGADHN CC1(C)C[C@H](NCc2ccco2)CCS1 ZINC000897800544 584049762 /nfs/dbraw/zinc/04/97/62/584049762.db2.gz RQXZEJFYLDXAFW-SNVBAGLBSA-N 0 3 225.357 3.043 20 0 BGADHN C[C@H](N[C@@H]1CCC12CCC2)c1cncs1 ZINC000897930119 584061712 /nfs/dbraw/zinc/06/17/12/584061712.db2.gz JAAFPWWLJWGARZ-GXSJLCMTSA-N 0 3 222.357 3.126 20 0 BGADHN C[C@@H](N[C@H]1CCC12CCC2)c1cncs1 ZINC000897930120 584061271 /nfs/dbraw/zinc/06/12/71/584061271.db2.gz JAAFPWWLJWGARZ-KOLCDFICSA-N 0 3 222.357 3.126 20 0 BGADHN C[C@@H](N[C@@H]1CCC12CCC2)c1cncs1 ZINC000897930121 584061371 /nfs/dbraw/zinc/06/13/71/584061371.db2.gz JAAFPWWLJWGARZ-MWLCHTKSSA-N 0 3 222.357 3.126 20 0 BGADHN C[C@H](N[C@H]1CCC12CCC2)c1cncs1 ZINC000897930122 584061478 /nfs/dbraw/zinc/06/14/78/584061478.db2.gz JAAFPWWLJWGARZ-ONGXEEELSA-N 0 3 222.357 3.126 20 0 BGADHN CSC(C)(C)CCN[C@H](C)c1cncs1 ZINC000897931397 584059320 /nfs/dbraw/zinc/05/93/20/584059320.db2.gz YOMNMLWNCWMWLU-SECBINFHSA-N 0 3 244.429 3.325 20 0 BGADHN CSC(C)(C)CCN[C@@H](C)c1cncs1 ZINC000897931398 584059419 /nfs/dbraw/zinc/05/94/19/584059419.db2.gz YOMNMLWNCWMWLU-VIFPVBQESA-N 0 3 244.429 3.325 20 0 BGADHN CCCSC[C@@H](C)N[C@H](C)c1cncs1 ZINC000897931435 584059078 /nfs/dbraw/zinc/05/90/78/584059078.db2.gz ZJMKEBBWLBNGKK-NXEZZACHSA-N 0 3 244.429 3.325 20 0 BGADHN CCCSC[C@H](C)N[C@@H](C)c1cncs1 ZINC000897931436 584059252 /nfs/dbraw/zinc/05/92/52/584059252.db2.gz ZJMKEBBWLBNGKK-UWVGGRQHSA-N 0 3 244.429 3.325 20 0 BGADHN CCCSC[C@H](C)N[C@H](C)c1cncs1 ZINC000897931437 584059226 /nfs/dbraw/zinc/05/92/26/584059226.db2.gz ZJMKEBBWLBNGKK-VHSXEESVSA-N 0 3 244.429 3.325 20 0 BGADHN CCCSC[C@@H](C)N[C@@H](C)c1cncs1 ZINC000897931438 584058991 /nfs/dbraw/zinc/05/89/91/584058991.db2.gz ZJMKEBBWLBNGKK-ZJUUUORDSA-N 0 3 244.429 3.325 20 0 BGADHN CCCCC1(NCc2cncc(OC)c2C)CC1 ZINC000897934432 584060231 /nfs/dbraw/zinc/06/02/31/584060231.db2.gz JKWSXZXCMKADAC-UHFFFAOYSA-N 0 3 248.370 3.211 20 0 BGADHN CCCCC1(NCc2cncc(OCC)c2)CC1 ZINC000897934448 584059729 /nfs/dbraw/zinc/05/97/29/584059729.db2.gz JQCPLZIPEMZXCO-UHFFFAOYSA-N 0 3 248.370 3.293 20 0 BGADHN CCCCC1(NCc2nccn2C2CC2)CC1 ZINC000897934458 636848733 /nfs/dbraw/zinc/84/87/33/636848733.db2.gz JUCZLDXZVMCEHT-UHFFFAOYSA-N 0 3 233.359 3.030 20 0 BGADHN CCCCC1(NCc2cn3ccnc3s2)CC1 ZINC000897934642 584059167 /nfs/dbraw/zinc/05/91/67/584059167.db2.gz MMKAXKPPQHIWLS-UHFFFAOYSA-N 0 3 249.383 3.208 20 0 BGADHN CCCCC1(NCc2cnn(C)c2C2CC2)CC1 ZINC000897934772 584062004 /nfs/dbraw/zinc/06/20/04/584062004.db2.gz OKOJTAHSEDWCHR-UHFFFAOYSA-N 0 3 247.386 3.110 20 0 BGADHN CCCCC1(NCc2ccnc(F)c2C)CC1 ZINC000897934783 584062203 /nfs/dbraw/zinc/06/22/03/584062203.db2.gz ORLUCXCWLPKVKR-UHFFFAOYSA-N 0 3 236.334 3.342 20 0 BGADHN CCCCC1(NCc2ccc(OC)o2)CC1 ZINC000897934811 584061864 /nfs/dbraw/zinc/06/18/64/584061864.db2.gz PCEKZWGFPNEZNE-UHFFFAOYSA-N 0 3 223.316 3.101 20 0 BGADHN CCCCC1(NCc2nc(C(C)C)c[nH]2)CC1 ZINC000897935342 584062078 /nfs/dbraw/zinc/06/20/78/584062078.db2.gz VAERVCGQFQKLCM-UHFFFAOYSA-N 0 3 235.375 3.346 20 0 BGADHN CCCCC1(NCc2cn(CC)nc2C)CC1 ZINC000897935418 584062065 /nfs/dbraw/zinc/06/20/65/584062065.db2.gz XFMABDUSEPPMCE-UHFFFAOYSA-N 0 3 235.375 3.024 20 0 BGADHN CCCCC1(NCc2cncn2C(C)C)CC1 ZINC000897935466 584062140 /nfs/dbraw/zinc/06/21/40/584062140.db2.gz BCRKOKNCIWRSDE-UHFFFAOYSA-N 0 3 235.375 3.276 20 0 BGADHN CCCCC1(NCc2ccnn2CC2CC2)CC1 ZINC000897935478 584062029 /nfs/dbraw/zinc/06/20/29/584062029.db2.gz BNWLETSDYXPVMY-UHFFFAOYSA-N 0 3 247.386 3.106 20 0 BGADHN CCCCC1(NCc2ccc3c(n2)CCC3)CC1 ZINC000897935716 584062184 /nfs/dbraw/zinc/06/21/84/584062184.db2.gz FJDDJSGSWAINTA-UHFFFAOYSA-N 0 3 244.382 3.383 20 0 BGADHN CCCCC1(NCc2ccc(COC)o2)CC1 ZINC000897935722 584062150 /nfs/dbraw/zinc/06/21/50/584062150.db2.gz FSFSRCJOXPCYJG-UHFFFAOYSA-N 0 3 237.343 3.238 20 0 BGADHN CCCCC1(NCc2cc(C)ns2)CC1 ZINC000897935745 584062084 /nfs/dbraw/zinc/06/20/84/584062084.db2.gz GHTJBQBJSMDYKS-UHFFFAOYSA-N 0 3 224.373 3.264 20 0 BGADHN CCCCC1(NCc2cnn(C(C)C)c2)CC1 ZINC000897936129 584062098 /nfs/dbraw/zinc/06/20/98/584062098.db2.gz NVUXRGNGDXORBA-UHFFFAOYSA-N 0 3 235.375 3.276 20 0 BGADHN CCCCC1(NCc2cc(F)ncc2F)CC1 ZINC000897936133 584062144 /nfs/dbraw/zinc/06/21/44/584062144.db2.gz NZSGUWJHXCGWLW-UHFFFAOYSA-N 0 3 240.297 3.172 20 0 BGADHN CCCCC1(NCc2cccc(F)c2N)CC1 ZINC000897936194 584061948 /nfs/dbraw/zinc/06/19/48/584061948.db2.gz QEBAKOHYEJQERC-UHFFFAOYSA-N 0 3 236.334 3.220 20 0 BGADHN CCCCC1(NCc2cnn3ccccc23)CC1 ZINC000897936222 584062363 /nfs/dbraw/zinc/06/23/63/584062363.db2.gz RBMIEAXIIFSFEE-UHFFFAOYSA-N 0 3 243.354 3.147 20 0 BGADHN CCCCC1(NCc2ccc(F)nc2C)CC1 ZINC000897936339 584062228 /nfs/dbraw/zinc/06/22/28/584062228.db2.gz TTXJLMMTULEORH-UHFFFAOYSA-N 0 3 236.334 3.342 20 0 BGADHN CCCCC1(NCc2cnc(C3CC3)nc2)CC1 ZINC000897936346 584062259 /nfs/dbraw/zinc/06/22/59/584062259.db2.gz UGNKRHCGYSHENH-UHFFFAOYSA-N 0 3 245.370 3.166 20 0 BGADHN CCCCC1(NCc2ccc(F)nc2)CC1 ZINC000897936556 584062222 /nfs/dbraw/zinc/06/22/22/584062222.db2.gz ZDJLUVVJFNGBDB-UHFFFAOYSA-N 0 3 222.307 3.033 20 0 BGADHN CCCCC1(NCc2ccc(OC)c(O)c2)CC1 ZINC000897936575 584062282 /nfs/dbraw/zinc/06/22/82/584062282.db2.gz ZQAWGWLOVSSSNE-UHFFFAOYSA-N 0 3 249.354 3.213 20 0 BGADHN CCCCC1(NCc2ccnn2CCC)CC1 ZINC000897936583 584062096 /nfs/dbraw/zinc/06/20/96/584062096.db2.gz ZXVVPVLXXJPKMV-UHFFFAOYSA-N 0 3 235.375 3.106 20 0 BGADHN Clc1ncccc1CN[C@@H]1C[C@H]2CCC[C@@H]21 ZINC000897952141 584063432 /nfs/dbraw/zinc/06/34/32/584063432.db2.gz DUYHOTIYNGNVRB-ADEWGFFLSA-N 0 3 236.746 3.013 20 0 BGADHN Clc1ncccc1CN[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000897952142 584063595 /nfs/dbraw/zinc/06/35/95/584063595.db2.gz DUYHOTIYNGNVRB-MVWJERBFSA-N 0 3 236.746 3.013 20 0 BGADHN Clc1ncccc1CN[C@@H]1C[C@H]2CCC[C@H]21 ZINC000897952143 584063495 /nfs/dbraw/zinc/06/34/95/584063495.db2.gz DUYHOTIYNGNVRB-YUSALJHKSA-N 0 3 236.746 3.013 20 0 BGADHN Clc1ncccc1CN[C@@H]1C[C@@H]2CCC[C@H]12 ZINC000897952144 584063638 /nfs/dbraw/zinc/06/36/38/584063638.db2.gz DUYHOTIYNGNVRB-ZMLRMANQSA-N 0 3 236.746 3.013 20 0 BGADHN Fc1ccccc1CN[C@@H]1C[C@H]2CCC[C@H]21 ZINC000897952146 584063265 /nfs/dbraw/zinc/06/32/65/584063265.db2.gz DXCPNTWOQCPSNN-MPKXVKKWSA-N 0 3 219.303 3.104 20 0 BGADHN Fc1ccccc1CN[C@@H]1C[C@H]2CCC[C@@H]21 ZINC000897952247 584063656 /nfs/dbraw/zinc/06/36/56/584063656.db2.gz DXCPNTWOQCPSNN-SCDSUCTJSA-N 0 3 219.303 3.104 20 0 BGADHN Fc1ccccc1CN[C@@H]1C[C@@H]2CCC[C@H]12 ZINC000897952248 584063317 /nfs/dbraw/zinc/06/33/17/584063317.db2.gz DXCPNTWOQCPSNN-VHRBIJSZSA-N 0 3 219.303 3.104 20 0 BGADHN Fc1ccccc1CN[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000897952249 584063573 /nfs/dbraw/zinc/06/35/73/584063573.db2.gz DXCPNTWOQCPSNN-ZKYQVNSYSA-N 0 3 219.303 3.104 20 0 BGADHN c1sc(C2CC2)nc1CN[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000897953107 584064066 /nfs/dbraw/zinc/06/40/66/584064066.db2.gz MXTBKOLEOMUNSF-CYZMBNFOSA-N 0 3 248.395 3.299 20 0 BGADHN c1sc(C2CC2)nc1CN[C@@H]1C[C@H]2CCC[C@@H]21 ZINC000897953108 584064136 /nfs/dbraw/zinc/06/41/36/584064136.db2.gz MXTBKOLEOMUNSF-KGYLQXTDSA-N 0 3 248.395 3.299 20 0 BGADHN c1sc(C2CC2)nc1CN[C@@H]1C[C@H]2CCC[C@H]21 ZINC000897953109 584064319 /nfs/dbraw/zinc/06/43/19/584064319.db2.gz MXTBKOLEOMUNSF-RAIGVLPGSA-N 0 3 248.395 3.299 20 0 BGADHN c1sc(C2CC2)nc1CN[C@@H]1C[C@@H]2CCC[C@H]12 ZINC000897953110 584064046 /nfs/dbraw/zinc/06/40/46/584064046.db2.gz MXTBKOLEOMUNSF-WCFLWFBJSA-N 0 3 248.395 3.299 20 0 BGADHN Clc1ccc(CN[C@@H]2C[C@H]3CCC[C@@H]32)o1 ZINC000897953312 584064335 /nfs/dbraw/zinc/06/43/35/584064335.db2.gz OSZWZMNZQIQYLS-DVVUODLYSA-N 0 3 225.719 3.211 20 0 BGADHN Clc1ccc(CN[C@@H]2C[C@H]3CCC[C@H]32)o1 ZINC000897953313 584064157 /nfs/dbraw/zinc/06/41/57/584064157.db2.gz OSZWZMNZQIQYLS-FBIMIBRVSA-N 0 3 225.719 3.211 20 0 BGADHN Clc1ccc(CN[C@@H]2C[C@@H]3CCC[C@H]23)o1 ZINC000897953314 584063912 /nfs/dbraw/zinc/06/39/12/584063912.db2.gz OSZWZMNZQIQYLS-INTQDDNPSA-N 0 3 225.719 3.211 20 0 BGADHN Clc1ccc(CN[C@@H]2C[C@@H]3CCC[C@@H]23)o1 ZINC000897953315 584064017 /nfs/dbraw/zinc/06/40/17/584064017.db2.gz OSZWZMNZQIQYLS-JMJZKYOTSA-N 0 3 225.719 3.211 20 0 BGADHN CCc1ccc(CN[C@@H]2C[C@H]3CCC[C@@H]32)o1 ZINC000897955714 584065065 /nfs/dbraw/zinc/06/50/65/584065065.db2.gz XSCLZRFGSBEQRT-DDTOSNHZSA-N 0 3 219.328 3.120 20 0 BGADHN CCc1ccc(CN[C@@H]2C[C@H]3CCC[C@H]32)o1 ZINC000897955715 584065164 /nfs/dbraw/zinc/06/51/64/584065164.db2.gz XSCLZRFGSBEQRT-LERXQTSPSA-N 0 3 219.328 3.120 20 0 BGADHN CCc1ccc(CN[C@@H]2C[C@@H]3CCC[C@H]23)o1 ZINC000897955716 584065147 /nfs/dbraw/zinc/06/51/47/584065147.db2.gz XSCLZRFGSBEQRT-LEWSCRJBSA-N 0 3 219.328 3.120 20 0 BGADHN CCc1ccc(CN[C@@H]2C[C@@H]3CCC[C@@H]23)o1 ZINC000897955717 584065345 /nfs/dbraw/zinc/06/53/45/584065345.db2.gz XSCLZRFGSBEQRT-ZLKJLUDKSA-N 0 3 219.328 3.120 20 0 BGADHN CSc1ccc(CN[C@@H]2C[C@H]3CCC[C@@H]32)o1 ZINC000897957353 584066009 /nfs/dbraw/zinc/06/60/09/584066009.db2.gz CEVPBFNYMCYBRJ-ADEWGFFLSA-N 0 3 237.368 3.280 20 0 BGADHN CSc1ccc(CN[C@@H]2C[C@@H]3CCC[C@@H]23)o1 ZINC000897957354 584065836 /nfs/dbraw/zinc/06/58/36/584065836.db2.gz CEVPBFNYMCYBRJ-MVWJERBFSA-N 0 3 237.368 3.280 20 0 BGADHN CSc1ccc(CN[C@@H]2C[C@H]3CCC[C@H]32)o1 ZINC000897957355 584065946 /nfs/dbraw/zinc/06/59/46/584065946.db2.gz CEVPBFNYMCYBRJ-YUSALJHKSA-N 0 3 237.368 3.280 20 0 BGADHN CSc1ccc(CN[C@@H]2C[C@@H]3CCC[C@H]23)o1 ZINC000897957356 584065878 /nfs/dbraw/zinc/06/58/78/584065878.db2.gz CEVPBFNYMCYBRJ-ZMLRMANQSA-N 0 3 237.368 3.280 20 0 BGADHN c1ccc2oc(CN[C@@H]3C[C@@H]4CCC[C@@H]34)nc2c1 ZINC000897958176 584066297 /nfs/dbraw/zinc/06/62/97/584066297.db2.gz HRYYZOJWBGYMAW-DMDPSCGWSA-N 0 3 242.322 3.106 20 0 BGADHN c1ccc2oc(CN[C@@H]3C[C@@H]4CCC[C@H]34)nc2c1 ZINC000897958177 584066645 /nfs/dbraw/zinc/06/66/45/584066645.db2.gz HRYYZOJWBGYMAW-GMXVVIOVSA-N 0 3 242.322 3.106 20 0 BGADHN c1ccc2oc(CN[C@@H]3C[C@H]4CCC[C@H]43)nc2c1 ZINC000897958178 584066552 /nfs/dbraw/zinc/06/65/52/584066552.db2.gz HRYYZOJWBGYMAW-NQBHXWOUSA-N 0 3 242.322 3.106 20 0 BGADHN c1ccc2oc(CN[C@@H]3C[C@H]4CCC[C@@H]43)nc2c1 ZINC000897958179 584066618 /nfs/dbraw/zinc/06/66/18/584066618.db2.gz HRYYZOJWBGYMAW-NTZNESFSSA-N 0 3 242.322 3.106 20 0 BGADHN COc1ccc(CN[C@@H]2C[C@@H]3CCC[C@@H]23)c(F)c1 ZINC000897958263 584066310 /nfs/dbraw/zinc/06/63/10/584066310.db2.gz IMFPNVJUBDKTQY-PSOPSSQASA-N 0 3 249.329 3.113 20 0 BGADHN COc1ccc(CN[C@@H]2C[C@H]3CCC[C@@H]32)c(F)c1 ZINC000897958265 584066235 /nfs/dbraw/zinc/06/62/35/584066235.db2.gz IMFPNVJUBDKTQY-RIEGTJTDSA-N 0 3 249.329 3.113 20 0 BGADHN COc1ccc(CN[C@@H]2C[C@@H]3CCC[C@H]23)c(F)c1 ZINC000897958267 584066620 /nfs/dbraw/zinc/06/66/20/584066620.db2.gz IMFPNVJUBDKTQY-VZJVUDMVSA-N 0 3 249.329 3.113 20 0 BGADHN COc1ccc(CN[C@@H]2C[C@H]3CCC[C@H]32)c(F)c1 ZINC000897958269 584066177 /nfs/dbraw/zinc/06/61/77/584066177.db2.gz IMFPNVJUBDKTQY-WDBKCZKBSA-N 0 3 249.329 3.113 20 0 BGADHN COc1ccc(F)cc1CN[C@@H]1C[C@H]2CCC[C@@H]21 ZINC000897958905 584066967 /nfs/dbraw/zinc/06/69/67/584066967.db2.gz PAXRDRVGVOYJFD-DDTOSNHZSA-N 0 3 249.329 3.113 20 0 BGADHN COc1ccc(F)cc1CN[C@@H]1C[C@H]2CCC[C@H]21 ZINC000897958906 584067009 /nfs/dbraw/zinc/06/70/09/584067009.db2.gz PAXRDRVGVOYJFD-LERXQTSPSA-N 0 3 249.329 3.113 20 0 BGADHN COc1ccc(F)cc1CN[C@@H]1C[C@@H]2CCC[C@H]12 ZINC000897958907 584067121 /nfs/dbraw/zinc/06/71/21/584067121.db2.gz PAXRDRVGVOYJFD-LEWSCRJBSA-N 0 3 249.329 3.113 20 0 BGADHN COc1ccc(F)cc1CN[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000897958908 584066895 /nfs/dbraw/zinc/06/68/95/584066895.db2.gz PAXRDRVGVOYJFD-ZLKJLUDKSA-N 0 3 249.329 3.113 20 0 BGADHN Clc1cnccc1CN[C@@H]1C[C@H]2CCC[C@H]21 ZINC000897959123 584066910 /nfs/dbraw/zinc/06/69/10/584066910.db2.gz QSLPHRSJOLSBKA-IRUJWGPZSA-N 0 3 236.746 3.013 20 0 BGADHN Clc1cnccc1CN[C@@H]1C[C@H]2CCC[C@@H]21 ZINC000897959124 584066988 /nfs/dbraw/zinc/06/69/88/584066988.db2.gz QSLPHRSJOLSBKA-SUZMYJTESA-N 0 3 236.746 3.013 20 0 BGADHN Clc1cnccc1CN[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000897959125 584067069 /nfs/dbraw/zinc/06/70/69/584067069.db2.gz QSLPHRSJOLSBKA-UFGOTCBOSA-N 0 3 236.746 3.013 20 0 BGADHN Clc1cnccc1CN[C@@H]1C[C@@H]2CCC[C@H]12 ZINC000897959126 584066925 /nfs/dbraw/zinc/06/69/25/584066925.db2.gz QSLPHRSJOLSBKA-XHVZSJERSA-N 0 3 236.746 3.013 20 0 BGADHN Cc1nc(CN[C@@H]2C[C@H]3CCC[C@@H]32)sc1C ZINC000897959167 584067029 /nfs/dbraw/zinc/06/70/29/584067029.db2.gz DPIGDSOKDNMXCH-GRYCIOLGSA-N 0 3 236.384 3.038 20 0 BGADHN Cc1nc(CN[C@@H]2C[C@H]3CCC[C@H]32)sc1C ZINC000897959168 584067154 /nfs/dbraw/zinc/06/71/54/584067154.db2.gz DPIGDSOKDNMXCH-IJLUTSLNSA-N 0 3 236.384 3.038 20 0 BGADHN Cc1nc(CN[C@@H]2C[C@@H]3CCC[C@@H]23)sc1C ZINC000897959169 584067143 /nfs/dbraw/zinc/06/71/43/584067143.db2.gz DPIGDSOKDNMXCH-QJPTWQEYSA-N 0 3 236.384 3.038 20 0 BGADHN Cc1nc(CN[C@@H]2C[C@@H]3CCC[C@H]23)sc1C ZINC000897959170 584066963 /nfs/dbraw/zinc/06/69/63/584066963.db2.gz DPIGDSOKDNMXCH-SDDRHHMPSA-N 0 3 236.384 3.038 20 0 BGADHN COc1cccc(CN[C@@H]2C[C@@H]3CCC[C@@H]23)c1F ZINC000897959493 584067429 /nfs/dbraw/zinc/06/74/29/584067429.db2.gz UNEDXFJTTSXRAS-CYZMBNFOSA-N 0 3 249.329 3.113 20 0 BGADHN COc1cccc(CN[C@@H]2C[C@H]3CCC[C@@H]32)c1F ZINC000897959494 584067289 /nfs/dbraw/zinc/06/72/89/584067289.db2.gz UNEDXFJTTSXRAS-KGYLQXTDSA-N 0 3 249.329 3.113 20 0 BGADHN COc1cccc(CN[C@@H]2C[C@H]3CCC[C@H]32)c1F ZINC000897959495 584067634 /nfs/dbraw/zinc/06/76/34/584067634.db2.gz UNEDXFJTTSXRAS-RAIGVLPGSA-N 0 3 249.329 3.113 20 0 BGADHN COc1cccc(CN[C@@H]2C[C@@H]3CCC[C@H]23)c1F ZINC000897959496 584067433 /nfs/dbraw/zinc/06/74/33/584067433.db2.gz UNEDXFJTTSXRAS-WCFLWFBJSA-N 0 3 249.329 3.113 20 0 BGADHN Clc1csc(CN[C@@H]2C[C@@H]3CCC[C@@H]23)n1 ZINC000897959637 584067345 /nfs/dbraw/zinc/06/73/45/584067345.db2.gz VHPZDDZQFMBBQM-DJLDLDEBSA-N 0 3 242.775 3.075 20 0 BGADHN Clc1csc(CN[C@@H]2C[C@H]3CCC[C@@H]32)n1 ZINC000897959638 584067390 /nfs/dbraw/zinc/06/73/90/584067390.db2.gz VHPZDDZQFMBBQM-HRDYMLBCSA-N 0 3 242.775 3.075 20 0 BGADHN Clc1csc(CN[C@@H]2C[C@H]3CCC[C@H]32)n1 ZINC000897959639 584067366 /nfs/dbraw/zinc/06/73/66/584067366.db2.gz VHPZDDZQFMBBQM-IWSPIJDZSA-N 0 3 242.775 3.075 20 0 BGADHN Clc1csc(CN[C@@H]2C[C@@H]3CCC[C@H]23)n1 ZINC000897959640 584067377 /nfs/dbraw/zinc/06/73/77/584067377.db2.gz VHPZDDZQFMBBQM-XHNCKOQMSA-N 0 3 242.775 3.075 20 0 BGADHN COc1ccc(F)c(CN[C@@H]2C[C@@H]3CCC[C@@H]23)c1 ZINC000897959706 584067352 /nfs/dbraw/zinc/06/73/52/584067352.db2.gz WMFWTFVJUPICCS-PSOPSSQASA-N 0 3 249.329 3.113 20 0 BGADHN COc1ccc(F)c(CN[C@@H]2C[C@H]3CCC[C@@H]32)c1 ZINC000897959707 584067536 /nfs/dbraw/zinc/06/75/36/584067536.db2.gz WMFWTFVJUPICCS-RIEGTJTDSA-N 0 3 249.329 3.113 20 0 BGADHN COc1ccc(F)c(CN[C@@H]2C[C@@H]3CCC[C@H]23)c1 ZINC000897959708 584067578 /nfs/dbraw/zinc/06/75/78/584067578.db2.gz WMFWTFVJUPICCS-VZJVUDMVSA-N 0 3 249.329 3.113 20 0 BGADHN COc1ccc(F)c(CN[C@@H]2C[C@H]3CCC[C@H]32)c1 ZINC000897959709 584067678 /nfs/dbraw/zinc/06/76/78/584067678.db2.gz WMFWTFVJUPICCS-WDBKCZKBSA-N 0 3 249.329 3.113 20 0 BGADHN Clc1ccc(CN[C@@H]2C[C@H]3CCC[C@@H]32)nc1 ZINC000897960625 584068036 /nfs/dbraw/zinc/06/80/36/584068036.db2.gz XILFAGPFCSJCRA-JIMOISOXSA-N 0 3 236.746 3.013 20 0 BGADHN Clc1ccc(CN[C@@H]2C[C@H]3CCC[C@H]32)nc1 ZINC000897960626 584068053 /nfs/dbraw/zinc/06/80/53/584068053.db2.gz XILFAGPFCSJCRA-OASPWFOLSA-N 0 3 236.746 3.013 20 0 BGADHN Clc1ccc(CN[C@@H]2C[C@@H]3CCC[C@H]23)nc1 ZINC000897960627 584068266 /nfs/dbraw/zinc/06/82/66/584068266.db2.gz XILFAGPFCSJCRA-TVYUQYBPSA-N 0 3 236.746 3.013 20 0 BGADHN Clc1ccc(CN[C@@H]2C[C@@H]3CCC[C@@H]23)nc1 ZINC000897960628 584068046 /nfs/dbraw/zinc/06/80/46/584068046.db2.gz XILFAGPFCSJCRA-ZWKOPEQDSA-N 0 3 236.746 3.013 20 0 BGADHN Cc1coc(CNC2CC3(C2)COC(C)(C)C3)c1 ZINC000897969713 584061278 /nfs/dbraw/zinc/06/12/78/584061278.db2.gz AEGZDJPPKYJNEZ-UHFFFAOYSA-N 0 3 249.354 3.025 20 0 BGADHN Cc1cc(CN[C@H](C)Cc2cccnc2)c(C)o1 ZINC000897969973 584061461 /nfs/dbraw/zinc/06/14/61/584061461.db2.gz PUMRTHHCDSOFCE-LLVKDONJSA-N 0 3 244.338 3.012 20 0 BGADHN Cc1cc(CN[C@@H](C)Cc2cccnc2)c(C)o1 ZINC000897969974 584061379 /nfs/dbraw/zinc/06/13/79/584061379.db2.gz PUMRTHHCDSOFCE-NSHDSACASA-N 0 3 244.338 3.012 20 0 BGADHN FC1(F)CC[C@H](CCNCc2ccns2)C1 ZINC000898013910 584074349 /nfs/dbraw/zinc/07/43/49/584074349.db2.gz KHKGQGGCXTXWEM-SECBINFHSA-N 0 3 246.326 3.058 20 0 BGADHN FC1(F)CC[C@@H](CCNCc2ccns2)C1 ZINC000898013911 584074338 /nfs/dbraw/zinc/07/43/38/584074338.db2.gz KHKGQGGCXTXWEM-VIFPVBQESA-N 0 3 246.326 3.058 20 0 BGADHN FC1(F)CC[C@H](CCNCc2cncs2)C1 ZINC000898017229 584075479 /nfs/dbraw/zinc/07/54/79/584075479.db2.gz JOPZNKNSQAOLHE-SECBINFHSA-N 0 3 246.326 3.058 20 0 BGADHN FC1(F)CC[C@@H](CCNCc2cncs2)C1 ZINC000898017230 584075506 /nfs/dbraw/zinc/07/55/06/584075506.db2.gz JOPZNKNSQAOLHE-VIFPVBQESA-N 0 3 246.326 3.058 20 0 BGADHN FC1(F)CC[C@H](CCNCc2cscn2)C1 ZINC000898018848 584075463 /nfs/dbraw/zinc/07/54/63/584075463.db2.gz DEKBQNJOPHXHHO-SECBINFHSA-N 0 3 246.326 3.058 20 0 BGADHN FC1(F)CC[C@@H](CCNCc2cscn2)C1 ZINC000898018849 584075253 /nfs/dbraw/zinc/07/52/53/584075253.db2.gz DEKBQNJOPHXHHO-VIFPVBQESA-N 0 3 246.326 3.058 20 0 BGADHN FC1(F)CC[C@@H](CCNCc2ccco2)C1 ZINC000898018941 584075460 /nfs/dbraw/zinc/07/54/60/584075460.db2.gz GVMIQCWATWKCBD-JTQLQIEISA-N 0 3 229.270 3.195 20 0 BGADHN FC1(F)CC[C@H](CCNCc2ccco2)C1 ZINC000898018942 584075488 /nfs/dbraw/zinc/07/54/88/584075488.db2.gz GVMIQCWATWKCBD-SNVBAGLBSA-N 0 3 229.270 3.195 20 0 BGADHN FC1(F)CC[C@H](CCNCc2nccs2)C1 ZINC000898019805 584075977 /nfs/dbraw/zinc/07/59/77/584075977.db2.gz SKJQHUAXNSZULW-SECBINFHSA-N 0 3 246.326 3.058 20 0 BGADHN FC1(F)CC[C@@H](CCNCc2nccs2)C1 ZINC000898019806 584075934 /nfs/dbraw/zinc/07/59/34/584075934.db2.gz SKJQHUAXNSZULW-VIFPVBQESA-N 0 3 246.326 3.058 20 0 BGADHN FC1(F)CC[C@@H](CCNCc2ccoc2)C1 ZINC000898020164 584075986 /nfs/dbraw/zinc/07/59/86/584075986.db2.gz ZVHKBHFHXIXSRU-JTQLQIEISA-N 0 3 229.270 3.195 20 0 BGADHN FC1(F)CC[C@H](CCNCc2ccoc2)C1 ZINC000898020166 584075806 /nfs/dbraw/zinc/07/58/06/584075806.db2.gz ZVHKBHFHXIXSRU-SNVBAGLBSA-N 0 3 229.270 3.195 20 0 BGADHN Cc1nc(CNC[C@H]2CCC=CCCC2)[nH]c1C ZINC000898031266 584077421 /nfs/dbraw/zinc/07/74/21/584077421.db2.gz AINFFURSOYPGNH-AWEZNQCLSA-N 0 3 247.386 3.253 20 0 BGADHN Cc1nc(CNC[C@@H]2CCC=CCCC2)[nH]c1C ZINC000898031267 584077311 /nfs/dbraw/zinc/07/73/11/584077311.db2.gz AINFFURSOYPGNH-CQSZACIVSA-N 0 3 247.386 3.253 20 0 BGADHN c1nc(CNC[C@@H]2CCC=CCCC2)cs1 ZINC000898031326 584077327 /nfs/dbraw/zinc/07/73/27/584077327.db2.gz BWKBZTWQGSLMID-GFCCVEGCSA-N 0 3 236.384 3.369 20 0 BGADHN c1nc(CNC[C@H]2CCC=CCCC2)cs1 ZINC000898031327 584077661 /nfs/dbraw/zinc/07/76/61/584077661.db2.gz BWKBZTWQGSLMID-LBPRGKRZSA-N 0 3 236.384 3.369 20 0 BGADHN Cc1ccc(CNC[C@H]2CCC=CCCC2)nn1 ZINC000898031455 584077497 /nfs/dbraw/zinc/07/74/97/584077497.db2.gz CLLZWPHFWGHPRX-AWEZNQCLSA-N 0 3 245.370 3.011 20 0 BGADHN Cc1ccc(CNC[C@@H]2CCC=CCCC2)nn1 ZINC000898031456 584077376 /nfs/dbraw/zinc/07/73/76/584077376.db2.gz CLLZWPHFWGHPRX-CQSZACIVSA-N 0 3 245.370 3.011 20 0 BGADHN Cc1cc(CNC[C@@H]2CCC=CCCC2)on1 ZINC000898031528 584077231 /nfs/dbraw/zinc/07/72/31/584077231.db2.gz FGAZUFFUASSUBE-CYBMUJFWSA-N 0 3 234.343 3.209 20 0 BGADHN Cc1cc(CNC[C@H]2CCC=CCCC2)on1 ZINC000898031529 584077338 /nfs/dbraw/zinc/07/73/38/584077338.db2.gz FGAZUFFUASSUBE-ZDUSSCGKSA-N 0 3 234.343 3.209 20 0 BGADHN CCn1ccnc1CNC[C@H]1CCC=CCCC1 ZINC000898031686 584077168 /nfs/dbraw/zinc/07/71/68/584077168.db2.gz GMEVZOKSVFIURZ-AWEZNQCLSA-N 0 3 247.386 3.129 20 0 BGADHN CCn1ccnc1CNC[C@@H]1CCC=CCCC1 ZINC000898031687 584077760 /nfs/dbraw/zinc/07/77/60/584077760.db2.gz GMEVZOKSVFIURZ-CQSZACIVSA-N 0 3 247.386 3.129 20 0 BGADHN c1csc(CNC[C@@H]2CCC=CCCC2)n1 ZINC000898031864 584077314 /nfs/dbraw/zinc/07/73/14/584077314.db2.gz IKUGAJVVRUBPCX-GFCCVEGCSA-N 0 3 236.384 3.369 20 0 BGADHN c1csc(CNC[C@H]2CCC=CCCC2)n1 ZINC000898031865 584077682 /nfs/dbraw/zinc/07/76/82/584077682.db2.gz IKUGAJVVRUBPCX-LBPRGKRZSA-N 0 3 236.384 3.369 20 0 BGADHN C[C@H](NC[C@H]1CCC=CCCC1)c1cnccn1 ZINC000898032528 584078570 /nfs/dbraw/zinc/07/85/70/584078570.db2.gz SXEFARMBNDUYJL-KBPBESRZSA-N 0 3 245.370 3.264 20 0 BGADHN C[C@@H](NC[C@H]1CCC=CCCC1)c1cnccn1 ZINC000898032529 584078269 /nfs/dbraw/zinc/07/82/69/584078269.db2.gz SXEFARMBNDUYJL-KGLIPLIRSA-N 0 3 245.370 3.264 20 0 BGADHN C[C@H](NC[C@@H]1CCC=CCCC1)c1cnccn1 ZINC000898032530 584078542 /nfs/dbraw/zinc/07/85/42/584078542.db2.gz SXEFARMBNDUYJL-UONOGXRCSA-N 0 3 245.370 3.264 20 0 BGADHN C[C@@H](NC[C@@H]1CCC=CCCC1)c1cnccn1 ZINC000898032531 584078063 /nfs/dbraw/zinc/07/80/63/584078063.db2.gz SXEFARMBNDUYJL-ZIAGYGMSSA-N 0 3 245.370 3.264 20 0 BGADHN Cc1ncoc1CNC[C@@H]1CCC=CCCC1 ZINC000898032731 584078551 /nfs/dbraw/zinc/07/85/51/584078551.db2.gz WLBDBDYXHIXPMP-CYBMUJFWSA-N 0 3 234.343 3.209 20 0 BGADHN Cc1ncoc1CNC[C@H]1CCC=CCCC1 ZINC000898032732 584078593 /nfs/dbraw/zinc/07/85/93/584078593.db2.gz WLBDBDYXHIXPMP-ZDUSSCGKSA-N 0 3 234.343 3.209 20 0 BGADHN Cc1ncc(CNC[C@@H]2CCC=CCCC2)o1 ZINC000898032734 584078451 /nfs/dbraw/zinc/07/84/51/584078451.db2.gz WOWXFQJUNGORAR-CYBMUJFWSA-N 0 3 234.343 3.209 20 0 BGADHN Cc1ncc(CNC[C@H]2CCC=CCCC2)o1 ZINC000898032735 584078085 /nfs/dbraw/zinc/07/80/85/584078085.db2.gz WOWXFQJUNGORAR-ZDUSSCGKSA-N 0 3 234.343 3.209 20 0 BGADHN Cc1cc(CNC[C@@H]2CCC=CCCC2)no1 ZINC000898032812 584077935 /nfs/dbraw/zinc/07/79/35/584077935.db2.gz XUIDMENIVPINRQ-CYBMUJFWSA-N 0 3 234.343 3.209 20 0 BGADHN Cc1cc(CNC[C@H]2CCC=CCCC2)no1 ZINC000898032813 584078554 /nfs/dbraw/zinc/07/85/54/584078554.db2.gz XUIDMENIVPINRQ-ZDUSSCGKSA-N 0 3 234.343 3.209 20 0 BGADHN Cc1nocc1CNC[C@@H]1CCC=CCCC1 ZINC000898032861 584078575 /nfs/dbraw/zinc/07/85/75/584078575.db2.gz YRCMVDKLMFDSMH-CYBMUJFWSA-N 0 3 234.343 3.209 20 0 BGADHN Cc1nocc1CNC[C@H]1CCC=CCCC1 ZINC000898032863 584078360 /nfs/dbraw/zinc/07/83/60/584078360.db2.gz YRCMVDKLMFDSMH-ZDUSSCGKSA-N 0 3 234.343 3.209 20 0 BGADHN CC(C)C[C@@H]1CCC[C@H](NCc2cn(C)cn2)C1 ZINC000898043154 584080251 /nfs/dbraw/zinc/08/02/51/584080251.db2.gz GNRZWOSWSDPGSG-KBPBESRZSA-N 0 3 249.402 3.115 20 0 BGADHN CC(C)C[C@H]1CCC[C@H](NCc2cn(C)cn2)C1 ZINC000898043155 584080509 /nfs/dbraw/zinc/08/05/09/584080509.db2.gz GNRZWOSWSDPGSG-KGLIPLIRSA-N 0 3 249.402 3.115 20 0 BGADHN CC(C)C[C@@H]1CCC[C@@H](NCc2cn(C)cn2)C1 ZINC000898043156 584080513 /nfs/dbraw/zinc/08/05/13/584080513.db2.gz GNRZWOSWSDPGSG-UONOGXRCSA-N 0 3 249.402 3.115 20 0 BGADHN CC(C)C[C@H]1CCC[C@@H](NCc2cn(C)cn2)C1 ZINC000898043157 584080604 /nfs/dbraw/zinc/08/06/04/584080604.db2.gz GNRZWOSWSDPGSG-ZIAGYGMSSA-N 0 3 249.402 3.115 20 0 BGADHN CC(C)=CCC[C@H](C)CCNCc1cn(C)cn1 ZINC000898043299 584080672 /nfs/dbraw/zinc/08/06/72/584080672.db2.gz LCDIGDUWTGBVPR-AWEZNQCLSA-N 0 3 249.402 3.282 20 0 BGADHN CC(C)=CCC[C@@H](C)CCNCc1cn(C)cn1 ZINC000898043300 584080860 /nfs/dbraw/zinc/08/08/60/584080860.db2.gz LCDIGDUWTGBVPR-CQSZACIVSA-N 0 3 249.402 3.282 20 0 BGADHN CCCC[C@@H](CC)CCNCc1cn(C)cn1 ZINC000898043371 584080877 /nfs/dbraw/zinc/08/08/77/584080877.db2.gz NKYJBAJWVCNGRV-CYBMUJFWSA-N 0 3 237.391 3.116 20 0 BGADHN CCCC[C@H](CC)CCNCc1cn(C)cn1 ZINC000898043372 584080689 /nfs/dbraw/zinc/08/06/89/584080689.db2.gz NKYJBAJWVCNGRV-ZDUSSCGKSA-N 0 3 237.391 3.116 20 0 BGADHN CC1=C(C)C[C@@H]([C@H](C)NCc2cn(C)cn2)CC1 ZINC000898043376 584080522 /nfs/dbraw/zinc/08/05/22/584080522.db2.gz NLVFBOXGRDGJFF-KBPBESRZSA-N 0 3 247.386 3.035 20 0 BGADHN CC1=C(C)C[C@@H]([C@@H](C)NCc2cn(C)cn2)CC1 ZINC000898043377 584080331 /nfs/dbraw/zinc/08/03/31/584080331.db2.gz NLVFBOXGRDGJFF-KGLIPLIRSA-N 0 3 247.386 3.035 20 0 BGADHN CC1=C(C)C[C@H]([C@H](C)NCc2cn(C)cn2)CC1 ZINC000898043378 584080847 /nfs/dbraw/zinc/08/08/47/584080847.db2.gz NLVFBOXGRDGJFF-UONOGXRCSA-N 0 3 247.386 3.035 20 0 BGADHN CC1=C(C)C[C@H]([C@@H](C)NCc2cn(C)cn2)CC1 ZINC000898043379 584080446 /nfs/dbraw/zinc/08/04/46/584080446.db2.gz NLVFBOXGRDGJFF-ZIAGYGMSSA-N 0 3 247.386 3.035 20 0 BGADHN CC(C)CC[C@H]1CC[C@H](NCc2cn(C)cn2)C1 ZINC000898043565 584081173 /nfs/dbraw/zinc/08/11/73/584081173.db2.gz UFLDZIITVJJDNG-KBPBESRZSA-N 0 3 249.402 3.115 20 0 BGADHN CC(C)CC[C@@H]1CC[C@H](NCc2cn(C)cn2)C1 ZINC000898043566 584081266 /nfs/dbraw/zinc/08/12/66/584081266.db2.gz UFLDZIITVJJDNG-KGLIPLIRSA-N 0 3 249.402 3.115 20 0 BGADHN CC(C)CC[C@H]1CC[C@@H](NCc2cn(C)cn2)C1 ZINC000898043567 584081169 /nfs/dbraw/zinc/08/11/69/584081169.db2.gz UFLDZIITVJJDNG-UONOGXRCSA-N 0 3 249.402 3.115 20 0 BGADHN CC(C)CC[C@@H]1CC[C@@H](NCc2cn(C)cn2)C1 ZINC000898043568 584081518 /nfs/dbraw/zinc/08/15/18/584081518.db2.gz UFLDZIITVJJDNG-ZIAGYGMSSA-N 0 3 249.402 3.115 20 0 BGADHN C[C@@H](CNCc1cn(C)cn1)CC1CCCCC1 ZINC000898045012 584073254 /nfs/dbraw/zinc/07/32/54/584073254.db2.gz GEZAUPXOEBGBIA-CYBMUJFWSA-N 0 3 249.402 3.116 20 0 BGADHN C[C@H](CNCc1cn(C)cn1)CC1CCCCC1 ZINC000898045013 584072957 /nfs/dbraw/zinc/07/29/57/584072957.db2.gz GEZAUPXOEBGBIA-ZDUSSCGKSA-N 0 3 249.402 3.116 20 0 BGADHN Cc1coc(CNC[C@H]2CCCC(C)(C)O2)c1 ZINC000898046267 584073934 /nfs/dbraw/zinc/07/39/34/584073934.db2.gz DLSOJWZFHTXFIC-GFCCVEGCSA-N 0 3 237.343 3.025 20 0 BGADHN Cc1coc(CNC[C@@H]2CCCC(C)(C)O2)c1 ZINC000898046268 584073817 /nfs/dbraw/zinc/07/38/17/584073817.db2.gz DLSOJWZFHTXFIC-LBPRGKRZSA-N 0 3 237.343 3.025 20 0 BGADHN Cc1occc1CNC[C@H]1CCCC(C)(C)O1 ZINC000898046284 584073845 /nfs/dbraw/zinc/07/38/45/584073845.db2.gz DVSVXHLUDWHJIY-CYBMUJFWSA-N 0 3 237.343 3.025 20 0 BGADHN Cc1occc1CNC[C@@H]1CCCC(C)(C)O1 ZINC000898046285 584073704 /nfs/dbraw/zinc/07/37/04/584073704.db2.gz DVSVXHLUDWHJIY-ZDUSSCGKSA-N 0 3 237.343 3.025 20 0 BGADHN CSc1ccc(CN2C[C@@H]3CCC[C@@H]3C2)o1 ZINC000898071387 584082680 /nfs/dbraw/zinc/08/26/80/584082680.db2.gz YERKLZSAYNOHRA-PHIMTYICSA-N 0 3 237.368 3.233 20 0 BGADHN CCc1ccc(CN[C@H]2CCOC23CCCC3)o1 ZINC000898112599 584083528 /nfs/dbraw/zinc/08/35/28/584083528.db2.gz SZXNTPIUFNJWOR-AWEZNQCLSA-N 0 3 249.354 3.033 20 0 BGADHN CCc1ccc(CN[C@@H]2CCOC23CCCC3)o1 ZINC000898112600 584083835 /nfs/dbraw/zinc/08/38/35/584083835.db2.gz SZXNTPIUFNJWOR-CQSZACIVSA-N 0 3 249.354 3.033 20 0 BGADHN Cc1cc(CN[C@H]2CCOC23CCCC3)c(C)o1 ZINC000898112861 584083713 /nfs/dbraw/zinc/08/37/13/584083713.db2.gz XIHHKDFZYVQTFY-AWEZNQCLSA-N 0 3 249.354 3.088 20 0 BGADHN Cc1cc(CN[C@@H]2CCOC23CCCC3)c(C)o1 ZINC000898112862 584083818 /nfs/dbraw/zinc/08/38/18/584083818.db2.gz XIHHKDFZYVQTFY-CQSZACIVSA-N 0 3 249.354 3.088 20 0 BGADHN Cc1ccsc1CN1CC(Cc2ccoc2)C1 ZINC000898161521 584088245 /nfs/dbraw/zinc/08/82/45/584088245.db2.gz DVKKHHHCHWKNNS-UHFFFAOYSA-N 0 3 247.363 3.324 20 0 BGADHN Cc1ccc(CN2CC(Cc3ccoc3)C2)s1 ZINC000898162330 584088067 /nfs/dbraw/zinc/08/80/67/584088067.db2.gz PSXJLMLRKFYHQB-UHFFFAOYSA-N 0 3 247.363 3.324 20 0 BGADHN C[C@H](NC1CC(C)C1)c1cnn(CC2CCC2)c1 ZINC000898180266 584092956 /nfs/dbraw/zinc/09/29/56/584092956.db2.gz WDCQWIISQNZZRA-AVERBVTBSA-N 0 3 247.386 3.132 20 0 BGADHN C[C@@H](NC1CC(C)C1)c1cnn(CC2CCC2)c1 ZINC000898180267 584093191 /nfs/dbraw/zinc/09/31/91/584093191.db2.gz WDCQWIISQNZZRA-MQYJIDSJSA-N 0 3 247.386 3.132 20 0 BGADHN C[C@@H](NC1CC=CC1)c1cnn(CC2CCC2)c1 ZINC000898184150 584093529 /nfs/dbraw/zinc/09/35/29/584093529.db2.gz REAIZOBMKUHWJV-GFCCVEGCSA-N 0 3 245.370 3.052 20 0 BGADHN C[C@H](NC1CC=CC1)c1cnn(CC2CCC2)c1 ZINC000898184151 584093148 /nfs/dbraw/zinc/09/31/48/584093148.db2.gz REAIZOBMKUHWJV-LBPRGKRZSA-N 0 3 245.370 3.052 20 0 BGADHN Cc1coc(CN[C@@H]2CC=CC[C@H]2C)c1 ZINC000898222816 584101527 /nfs/dbraw/zinc/10/15/27/584101527.db2.gz LETKOAYOWVMHKX-DGCLKSJQSA-N 0 3 205.301 3.032 20 0 BGADHN CCOc1ccc(CN[C@@H]2CC=CC[C@H]2C)o1 ZINC000898223473 584102338 /nfs/dbraw/zinc/10/23/38/584102338.db2.gz WMMFVNRHPYOWFO-DGCLKSJQSA-N 0 3 235.327 3.123 20 0 BGADHN CSc1ccc(CN[C@@H]2CC=CC[C@H]2C)o1 ZINC000898223856 584102083 /nfs/dbraw/zinc/10/20/83/584102083.db2.gz HTKNAKDCCYUIRH-ZYHUDNBSSA-N 0 3 237.368 3.446 20 0 BGADHN C[C@@H]1CC=CC[C@H]1NCc1nc(Cl)cs1 ZINC000898224171 584102111 /nfs/dbraw/zinc/10/21/11/584102111.db2.gz PQJXVSFRWPGAFO-RKDXNWHRSA-N 0 3 242.775 3.241 20 0 BGADHN CCc1cnc(CN[C@@H]2CC=CC[C@H]2C)s1 ZINC000898224341 584102804 /nfs/dbraw/zinc/10/28/04/584102804.db2.gz UXTGGXUIQPIECD-ZYHUDNBSSA-N 0 3 236.384 3.150 20 0 BGADHN C[C@@H]1CC=CC[C@H]1NCc1nc2c(s1)CCC2 ZINC000898224427 584102556 /nfs/dbraw/zinc/10/25/56/584102556.db2.gz WQJRIAZXBSVJMW-GHMZBOCLSA-N 0 3 248.395 3.076 20 0 BGADHN C[C@@H]1CC=CC[C@H]1NCc1ccc(Cl)o1 ZINC000898227818 584102607 /nfs/dbraw/zinc/10/26/07/584102607.db2.gz TVOYSUOBCFKUMT-MWLCHTKSSA-N 0 3 225.719 3.377 20 0 BGADHN COC1(CNCc2ccco2)CCCCCC1 ZINC000898263969 584103761 /nfs/dbraw/zinc/10/37/61/584103761.db2.gz QJXQZQXYBWDJRD-UHFFFAOYSA-N 0 3 237.343 3.109 20 0 BGADHN COC1(CNCc2ccoc2)CCCCCC1 ZINC000898264128 584103564 /nfs/dbraw/zinc/10/35/64/584103564.db2.gz UEKWAIGSTZNCHJ-UHFFFAOYSA-N 0 3 237.343 3.109 20 0 BGADHN CSCC(C)(C)NCc1ccc(SC)o1 ZINC000898305127 584109105 /nfs/dbraw/zinc/10/91/05/584109105.db2.gz QNYUHRLREHEDHS-UHFFFAOYSA-N 0 3 245.413 3.233 20 0 BGADHN CCc1ccc(CNC(C)(C)CSC)o1 ZINC000898305679 584109034 /nfs/dbraw/zinc/10/90/34/584109034.db2.gz NTTXNURKQWCHIK-UHFFFAOYSA-N 0 3 227.373 3.073 20 0 BGADHN CSCC(C)(C)NCc1ccc(Cl)o1 ZINC000898305875 584109154 /nfs/dbraw/zinc/10/91/54/584109154.db2.gz WMSAWIGJUPWDEP-UHFFFAOYSA-N 0 3 233.764 3.164 20 0 BGADHN CSCC(C)(C)NCc1cc(C)oc1C ZINC000898305876 584109308 /nfs/dbraw/zinc/10/93/08/584109308.db2.gz WMUUPDXILRXNST-UHFFFAOYSA-N 0 3 227.373 3.128 20 0 BGADHN CC1(C)C(C)(C)C1(C)NCc1cnc(C2CC2)o1 ZINC000898413406 584131750 /nfs/dbraw/zinc/13/17/50/584131750.db2.gz WVUPVNPLPMBJEV-UHFFFAOYSA-N 0 3 248.370 3.466 20 0 BGADHN CC1(C)C(C)(C)C1(C)NCc1cncs1 ZINC000898414143 584131674 /nfs/dbraw/zinc/13/16/74/584131674.db2.gz JMOVQYQVTFDDJV-UHFFFAOYSA-N 0 3 224.373 3.057 20 0 BGADHN Cc1nc(C)c(CNC2(C)C(C)(C)C2(C)C)o1 ZINC000898414419 584131464 /nfs/dbraw/zinc/13/14/64/584131464.db2.gz OUASKSXDDOFWBJ-UHFFFAOYSA-N 0 3 236.359 3.206 20 0 BGADHN CO[C@H](c1ccccc1)[C@@H](C)NC/C=C/Cl ZINC000898424043 584132398 /nfs/dbraw/zinc/13/23/98/584132398.db2.gz APKIOBBIIFHEBI-KHVLIJPTSA-N 0 3 239.746 3.105 20 0 BGADHN CO[C@H](c1ccccc1)[C@H](C)NC/C=C\Cl ZINC000898424044 584132428 /nfs/dbraw/zinc/13/24/28/584132428.db2.gz APKIOBBIIFHEBI-NWRHIBPXSA-N 0 3 239.746 3.105 20 0 BGADHN CO[C@H](c1ccccc1)[C@@H](C)NC/C=C\Cl ZINC000898424045 584132357 /nfs/dbraw/zinc/13/23/57/584132357.db2.gz APKIOBBIIFHEBI-RJJUSTGRSA-N 0 3 239.746 3.105 20 0 BGADHN CO[C@H](c1ccccc1)[C@H](C)NC/C=C/Cl ZINC000898424046 584132241 /nfs/dbraw/zinc/13/22/41/584132241.db2.gz APKIOBBIIFHEBI-RMUNVQARSA-N 0 3 239.746 3.105 20 0 BGADHN CSCc1ccc(CNC/C=C/Cl)cc1 ZINC000898424310 584132055 /nfs/dbraw/zinc/13/20/55/584132055.db2.gz DWFHUQJZUMLDHL-FARCUNLSSA-N 0 3 241.787 3.392 20 0 BGADHN CSCc1ccc(CNC/C=C\Cl)cc1 ZINC000898424311 584132277 /nfs/dbraw/zinc/13/22/77/584132277.db2.gz DWFHUQJZUMLDHL-UQCOIBPSSA-N 0 3 241.787 3.392 20 0 BGADHN COc1ccc2c(c1)CC[C@H]2NC/C=C/Cl ZINC000898424428 584132586 /nfs/dbraw/zinc/13/25/86/584132586.db2.gz FBRQIVIICLJTAH-DRRGCAIJSA-N 0 3 237.730 3.025 20 0 BGADHN COc1ccc2c(c1)CC[C@@H]2NC/C=C\Cl ZINC000898424429 584132517 /nfs/dbraw/zinc/13/25/17/584132517.db2.gz FBRQIVIICLJTAH-MDVHNNDNSA-N 0 3 237.730 3.025 20 0 BGADHN COc1ccc2c(c1)CC[C@@H]2NC/C=C/Cl ZINC000898424430 584132612 /nfs/dbraw/zinc/13/26/12/584132612.db2.gz FBRQIVIICLJTAH-VRMVNXKISA-N 0 3 237.730 3.025 20 0 BGADHN COc1ccc2c(c1)CC[C@H]2NC/C=C\Cl ZINC000898424431 584132251 /nfs/dbraw/zinc/13/22/51/584132251.db2.gz FBRQIVIICLJTAH-WPRPQAPASA-N 0 3 237.730 3.025 20 0 BGADHN CC1(c2ccccc2)CC(NC/C=C/Cl)C1 ZINC000898428486 584132923 /nfs/dbraw/zinc/13/29/23/584132923.db2.gz ILMATDVAILMSAQ-VMPITWQZSA-N 0 3 235.758 3.449 20 0 BGADHN CC1(c2ccccc2)CC(NC/C=C\Cl)C1 ZINC000898428487 584133191 /nfs/dbraw/zinc/13/31/91/584133191.db2.gz ILMATDVAILMSAQ-YVMONPNESA-N 0 3 235.758 3.449 20 0 BGADHN Cl/C=C/CN[C@@H]1CCCNc2ccccc21 ZINC000898430094 584134361 /nfs/dbraw/zinc/13/43/61/584134361.db2.gz UQLMMELVVIDBHQ-FLUIGGAXSA-N 0 3 236.746 3.276 20 0 BGADHN Cl/C=C/CN[C@H]1CCCNc2ccccc21 ZINC000898430095 584134143 /nfs/dbraw/zinc/13/41/43/584134143.db2.gz UQLMMELVVIDBHQ-GBVBUYCNSA-N 0 3 236.746 3.276 20 0 BGADHN Cl/C=C\CN[C@@H]1CCCNc2ccccc21 ZINC000898430096 584134353 /nfs/dbraw/zinc/13/43/53/584134353.db2.gz UQLMMELVVIDBHQ-IBSXUBTNSA-N 0 3 236.746 3.276 20 0 BGADHN Cl/C=C\CN[C@H]1CCCNc2ccccc21 ZINC000898430097 584134359 /nfs/dbraw/zinc/13/43/59/584134359.db2.gz UQLMMELVVIDBHQ-UKOWJOKBSA-N 0 3 236.746 3.276 20 0 BGADHN CC(C)(CNC/C=C/Cl)Oc1ccccc1 ZINC000898430207 584134278 /nfs/dbraw/zinc/13/42/78/584134278.db2.gz WWCRKFGSYKANIM-RMKNXTFCSA-N 0 3 239.746 3.186 20 0 BGADHN CC(C)(CNC/C=C\Cl)Oc1ccccc1 ZINC000898430208 584134063 /nfs/dbraw/zinc/13/40/63/584134063.db2.gz WWCRKFGSYKANIM-TWGQIWQCSA-N 0 3 239.746 3.186 20 0 BGADHN C[C@H](CNC/C=C/Cl)c1cc(F)cc(F)c1 ZINC000898430273 584134274 /nfs/dbraw/zinc/13/42/74/584134274.db2.gz XVVYQRLYJQIRAT-GKQMSVHHSA-N 0 3 245.700 3.410 20 0 BGADHN C[C@@H](CNC/C=C/Cl)c1cc(F)cc(F)c1 ZINC000898430274 584134246 /nfs/dbraw/zinc/13/42/46/584134246.db2.gz XVVYQRLYJQIRAT-HPOULIHZSA-N 0 3 245.700 3.410 20 0 BGADHN C[C@H](CNC/C=C\Cl)c1cc(F)cc(F)c1 ZINC000898430275 584134240 /nfs/dbraw/zinc/13/42/40/584134240.db2.gz XVVYQRLYJQIRAT-PKRMOACSSA-N 0 3 245.700 3.410 20 0 BGADHN C[C@@H](CNC/C=C\Cl)c1cc(F)cc(F)c1 ZINC000898430276 584134722 /nfs/dbraw/zinc/13/47/22/584134722.db2.gz XVVYQRLYJQIRAT-XADBCAIWSA-N 0 3 245.700 3.410 20 0 BGADHN C[C@H](Cc1ccccc1F)NC/C=C\Cl ZINC000898431943 584135235 /nfs/dbraw/zinc/13/52/35/584135235.db2.gz DKPAQUWQNPSIJX-ISGFRBBESA-N 0 3 227.710 3.099 20 0 BGADHN C[C@H](Cc1ccccc1F)NC/C=C/Cl ZINC000898431968 584135391 /nfs/dbraw/zinc/13/53/91/584135391.db2.gz DKPAQUWQNPSIJX-LJJSCBMDSA-N 0 3 227.710 3.099 20 0 BGADHN C[C@@H](Cc1ccccc1F)NC/C=C/Cl ZINC000898431970 584135034 /nfs/dbraw/zinc/13/50/34/584135034.db2.gz DKPAQUWQNPSIJX-QBBOHKLWSA-N 0 3 227.710 3.099 20 0 BGADHN C[C@@H](Cc1ccccc1F)NC/C=C\Cl ZINC000898431972 584135219 /nfs/dbraw/zinc/13/52/19/584135219.db2.gz DKPAQUWQNPSIJX-VAWSOJLPSA-N 0 3 227.710 3.099 20 0 BGADHN Fc1cccc(C2CC(NC/C=C\Cl)C2)c1 ZINC000898432803 584135100 /nfs/dbraw/zinc/13/51/00/584135100.db2.gz JRGQSWUDIVASOP-DJWKRKHSSA-N 0 3 239.721 3.414 20 0 BGADHN Fc1cccc(C2CC(NC/C=C/Cl)C2)c1 ZINC000898432948 584134931 /nfs/dbraw/zinc/13/49/31/584134931.db2.gz JRGQSWUDIVASOP-GORDUTHDSA-N 0 3 239.721 3.414 20 0 BGADHN Cl/C=C\CNCCSCc1ccccc1 ZINC000898433102 584135206 /nfs/dbraw/zinc/13/52/06/584135206.db2.gz LAXBGYKEZJGWHU-DAXSKMNVSA-N 0 3 241.787 3.262 20 0 BGADHN Cl/C=C/CNCCSCc1ccccc1 ZINC000898433105 584134955 /nfs/dbraw/zinc/13/49/55/584134955.db2.gz LAXBGYKEZJGWHU-QPJJXVBHSA-N 0 3 241.787 3.262 20 0 BGADHN C[C@@H](CSC(C)(C)C)NC/C=C/Cl ZINC000898433333 584135111 /nfs/dbraw/zinc/13/51/11/584135111.db2.gz NBGJAEAHJLRIFO-CYNONHLPSA-N 0 3 221.797 3.249 20 0 BGADHN C[C@H](CSC(C)(C)C)NC/C=C\Cl ZINC000898433334 584135056 /nfs/dbraw/zinc/13/50/56/584135056.db2.gz NBGJAEAHJLRIFO-SSJHQANKSA-N 0 3 221.797 3.249 20 0 BGADHN C[C@@H](CSC(C)(C)C)NC/C=C\Cl ZINC000898433335 584135054 /nfs/dbraw/zinc/13/50/54/584135054.db2.gz NBGJAEAHJLRIFO-UDIARPCQSA-N 0 3 221.797 3.249 20 0 BGADHN C[C@H](CSC(C)(C)C)NC/C=C/Cl ZINC000898433336 584135071 /nfs/dbraw/zinc/13/50/71/584135071.db2.gz NBGJAEAHJLRIFO-VUHVRTRXSA-N 0 3 221.797 3.249 20 0 BGADHN CC(C)(C)[C@@H]1C[C@H](NC/C=C/Cl)CS1 ZINC000898433345 584135040 /nfs/dbraw/zinc/13/50/40/584135040.db2.gz NDUHORIONCKQNW-AWAZDUCLSA-N 0 3 233.808 3.249 20 0 BGADHN CC(C)(C)[C@@H]1C[C@@H](NC/C=C/Cl)CS1 ZINC000898433346 584135047 /nfs/dbraw/zinc/13/50/47/584135047.db2.gz NDUHORIONCKQNW-CFUOYWMPSA-N 0 3 233.808 3.249 20 0 BGADHN CC(C)(C)[C@@H]1C[C@H](NC/C=C\Cl)CS1 ZINC000898433347 584135169 /nfs/dbraw/zinc/13/51/69/584135169.db2.gz NDUHORIONCKQNW-NDVXOHMPSA-N 0 3 233.808 3.249 20 0 BGADHN CC(C)(C)[C@@H]1C[C@@H](NC/C=C\Cl)CS1 ZINC000898433348 584135239 /nfs/dbraw/zinc/13/52/39/584135239.db2.gz NDUHORIONCKQNW-OOMSKYPHSA-N 0 3 233.808 3.249 20 0 BGADHN Fc1ccccc1C1CC(NC/C=C\Cl)C1 ZINC000898433674 584135213 /nfs/dbraw/zinc/13/52/13/584135213.db2.gz QIJXRFMOTLAMAJ-UTCJRWHESA-N 0 3 239.721 3.414 20 0 BGADHN Fc1ccccc1C1CC(NC/C=C/Cl)C1 ZINC000898433956 584134860 /nfs/dbraw/zinc/13/48/60/584134860.db2.gz QIJXRFMOTLAMAJ-ZZXKWVIFSA-N 0 3 239.721 3.414 20 0 BGADHN C[C@@H](Cc1cccc(F)c1)NC/C=C\Cl ZINC000898433982 584135105 /nfs/dbraw/zinc/13/51/05/584135105.db2.gz QXMZHAJZUKXSPO-NWPZZWLHSA-N 0 3 227.710 3.099 20 0 BGADHN C[C@H](Cc1cccc(F)c1)NC/C=C/Cl ZINC000898433985 584135387 /nfs/dbraw/zinc/13/53/87/584135387.db2.gz QXMZHAJZUKXSPO-QLCVYAKKSA-N 0 3 227.710 3.099 20 0 BGADHN C[C@H](Cc1cccc(F)c1)NC/C=C\Cl ZINC000898433987 584135431 /nfs/dbraw/zinc/13/54/31/584135431.db2.gz QXMZHAJZUKXSPO-XICOKMJESA-N 0 3 227.710 3.099 20 0 BGADHN C[C@@H](Cc1cccc(F)c1)NC/C=C/Cl ZINC000898433988 584135425 /nfs/dbraw/zinc/13/54/25/584135425.db2.gz QXMZHAJZUKXSPO-YVGDHZEHSA-N 0 3 227.710 3.099 20 0 BGADHN CSc1ccc(CNC/C=C\Cl)s1 ZINC000898434093 584135109 /nfs/dbraw/zinc/13/51/09/584135109.db2.gz STSCYWKOWXWBFH-DJWKRKHSSA-N 0 3 233.789 3.312 20 0 BGADHN CSc1ccc(CNC/C=C/Cl)s1 ZINC000898434094 584135095 /nfs/dbraw/zinc/13/50/95/584135095.db2.gz STSCYWKOWXWBFH-GORDUTHDSA-N 0 3 233.789 3.312 20 0 BGADHN FC(F)c1ccc(CNC/C=C\Cl)cc1 ZINC000898434243 584134965 /nfs/dbraw/zinc/13/49/65/584134965.db2.gz UGLOENRHIUPBTL-BHQIHCQQSA-N 0 3 231.673 3.466 20 0 BGADHN FC(F)c1ccc(CNC/C=C/Cl)cc1 ZINC000898434244 584135745 /nfs/dbraw/zinc/13/57/45/584135745.db2.gz UGLOENRHIUPBTL-LZCJLJQNSA-N 0 3 231.673 3.466 20 0 BGADHN CSc1ccc(CNC/C=C/Cl)cc1 ZINC000898435378 584136120 /nfs/dbraw/zinc/13/61/20/584136120.db2.gz IYVKXUKVJKRWHB-FARCUNLSSA-N 0 3 227.760 3.251 20 0 BGADHN CSc1ccc(CNC/C=C\Cl)cc1 ZINC000898435379 584135878 /nfs/dbraw/zinc/13/58/78/584135878.db2.gz IYVKXUKVJKRWHB-UQCOIBPSSA-N 0 3 227.760 3.251 20 0 BGADHN CC(C)Oc1cccc(CNC/C=C\Cl)c1 ZINC000898435656 584135986 /nfs/dbraw/zinc/13/59/86/584135986.db2.gz LIHXLIAAARFSIO-DAXSKMNVSA-N 0 3 239.746 3.316 20 0 BGADHN CC(C)Oc1cccc(CNC/C=C/Cl)c1 ZINC000898435657 584135961 /nfs/dbraw/zinc/13/59/61/584135961.db2.gz LIHXLIAAARFSIO-QPJJXVBHSA-N 0 3 239.746 3.316 20 0 BGADHN FC(F)Oc1ccc(CNC/C=C\Cl)cc1 ZINC000898436088 584136408 /nfs/dbraw/zinc/13/64/08/584136408.db2.gz QSESCHOIHQCTEO-BHQIHCQQSA-N 0 3 247.672 3.130 20 0 BGADHN FC(F)Oc1ccc(CNC/C=C/Cl)cc1 ZINC000898436090 584136262 /nfs/dbraw/zinc/13/62/62/584136262.db2.gz QSESCHOIHQCTEO-LZCJLJQNSA-N 0 3 247.672 3.130 20 0 BGADHN Fc1ccc(C2CC(NC/C=C\Cl)C2)cc1 ZINC000898436313 584136393 /nfs/dbraw/zinc/13/63/93/584136393.db2.gz SCWBPBPXZXCDHW-BHQIHCQQSA-N 0 3 239.721 3.414 20 0 BGADHN Fc1ccc(C2CC(NC/C=C/Cl)C2)cc1 ZINC000898436314 584136412 /nfs/dbraw/zinc/13/64/12/584136412.db2.gz SCWBPBPXZXCDHW-LZCJLJQNSA-N 0 3 239.721 3.414 20 0 BGADHN Cc1cc(CNC/C=C\Cl)c(C)s1 ZINC000898436358 584136346 /nfs/dbraw/zinc/13/63/46/584136346.db2.gz SUZRKQASSNGRJB-ARJAWSKDSA-N 0 3 215.749 3.207 20 0 BGADHN Cc1cc(CNC/C=C/Cl)c(C)s1 ZINC000898436362 584136292 /nfs/dbraw/zinc/13/62/92/584136292.db2.gz SUZRKQASSNGRJB-ONEGZZNKSA-N 0 3 215.749 3.207 20 0 BGADHN FC(F)Oc1cccc(CNC/C=C\Cl)c1 ZINC000898436363 584136331 /nfs/dbraw/zinc/13/63/31/584136331.db2.gz SVDBGHNPRDLGIB-DJWKRKHSSA-N 0 3 247.672 3.130 20 0 BGADHN FC(F)Oc1cccc(CNC/C=C/Cl)c1 ZINC000898436365 584136336 /nfs/dbraw/zinc/13/63/36/584136336.db2.gz SVDBGHNPRDLGIB-GORDUTHDSA-N 0 3 247.672 3.130 20 0 BGADHN CC(C)Oc1ccc(CNC/C=C\Cl)cc1 ZINC000898436892 637043000 /nfs/dbraw/zinc/04/30/00/637043000.db2.gz WGLZVLGYTUSMNR-BAQGIRSFSA-N 0 3 239.746 3.316 20 0 BGADHN CC(C)Oc1ccc(CNC/C=C/Cl)cc1 ZINC000898436893 637042294 /nfs/dbraw/zinc/04/22/94/637042294.db2.gz WGLZVLGYTUSMNR-FPYGCLRLSA-N 0 3 239.746 3.316 20 0 BGADHN CCn1nccc1CNC1(C2CCCCC2)CC1 ZINC000898461440 584138328 /nfs/dbraw/zinc/13/83/28/584138328.db2.gz DRFFVRBUIGLPQY-UHFFFAOYSA-N 0 3 247.386 3.106 20 0 BGADHN Cc1nc(CNC2(C3CCCCC3)CC2)[nH]c1C ZINC000898462148 584138872 /nfs/dbraw/zinc/13/88/72/584138872.db2.gz MVOQEAIMUSIIKX-UHFFFAOYSA-N 0 3 247.386 3.229 20 0 BGADHN C=Cn1cc(CNC2(C3CCCCC3)CC2)cn1 ZINC000898462167 584138685 /nfs/dbraw/zinc/13/86/85/584138685.db2.gz NIISNFZOZDYGRA-UHFFFAOYSA-N 0 3 245.370 3.186 20 0 BGADHN CCn1cncc1CNC1(C2CCCCC2)CC1 ZINC000898463029 584138621 /nfs/dbraw/zinc/13/86/21/584138621.db2.gz UGCLVLXUQWYATB-UHFFFAOYSA-N 0 3 247.386 3.106 20 0 BGADHN COCCc1cccc(-c2csc(CN)c2)c1 ZINC000899321862 584196142 /nfs/dbraw/zinc/19/61/42/584196142.db2.gz AQJIBXHEXZDBDG-UHFFFAOYSA-N 0 3 247.363 3.063 20 0 BGADHN CC(C)(O)c1ccc(-c2csc(CN)c2)cc1 ZINC000899323070 584196691 /nfs/dbraw/zinc/19/66/91/584196691.db2.gz MZPJFUWWKLSCRF-UHFFFAOYSA-N 0 3 247.363 3.101 20 0 BGADHN CC[C@@](C)(N)c1cc(-c2ccc(F)cc2)no1 ZINC000901384824 584436484 /nfs/dbraw/zinc/43/64/84/584436484.db2.gz FFPMJTQCDQQHIG-CYBMUJFWSA-N 0 3 234.274 3.065 20 0 BGADHN CC[C@](C)(N)c1cc(-c2ccc(F)cc2)no1 ZINC000901384825 584436179 /nfs/dbraw/zinc/43/61/79/584436179.db2.gz FFPMJTQCDQQHIG-ZDUSSCGKSA-N 0 3 234.274 3.065 20 0 BGADHN CCN(CC)Cc1cc(-c2ccccc2C)no1 ZINC000901385865 584436185 /nfs/dbraw/zinc/43/61/85/584436185.db2.gz ITMMTUZPOJXRSA-UHFFFAOYSA-N 0 3 244.338 3.492 20 0 BGADHN CCOc1ccc(-c2cc([C@H](C)NC)on2)cc1 ZINC000901386243 584436244 /nfs/dbraw/zinc/43/62/44/584436244.db2.gz ABZSJNNTGJPENX-JTQLQIEISA-N 0 3 246.310 3.021 20 0 BGADHN CCOc1ccc(-c2cc([C@@H](C)NC)on2)cc1 ZINC000901386245 584436231 /nfs/dbraw/zinc/43/62/31/584436231.db2.gz ABZSJNNTGJPENX-SNVBAGLBSA-N 0 3 246.310 3.021 20 0 BGADHN Cc1ccccc1-c1cc(CN(C)C(C)C)on1 ZINC000901386575 584436508 /nfs/dbraw/zinc/43/65/08/584436508.db2.gz CPPLIWGGECBVMO-UHFFFAOYSA-N 0 3 244.338 3.490 20 0 BGADHN CCN(CC)Cc1cc(-c2cccs2)no1 ZINC000901386910 584436322 /nfs/dbraw/zinc/43/63/22/584436322.db2.gz GGEUAARIFUDDLV-UHFFFAOYSA-N 0 3 236.340 3.245 20 0 BGADHN Cc1ccccc1-c1cc(CNC(C)C)on1 ZINC000901387394 584436745 /nfs/dbraw/zinc/43/67/45/584436745.db2.gz LLSUGRALFJGISK-UHFFFAOYSA-N 0 3 230.311 3.148 20 0 BGADHN Cc1ccccc1-c1cc(CN2CCCC2)on1 ZINC000901387827 584436892 /nfs/dbraw/zinc/43/68/92/584436892.db2.gz MRNSWUHZPBNQKD-UHFFFAOYSA-N 0 3 242.322 3.246 20 0 BGADHN CNC(C)(C)c1cc(-c2ccccc2C)no1 ZINC000901387943 584436886 /nfs/dbraw/zinc/43/68/86/584436886.db2.gz OHOYHBZMVAWFAE-UHFFFAOYSA-N 0 3 230.311 3.105 20 0 BGADHN CC(C)N(C)Cc1cc(-c2cccs2)no1 ZINC000901387968 584436678 /nfs/dbraw/zinc/43/66/78/584436678.db2.gz ORVIORFCYMKPOO-UHFFFAOYSA-N 0 3 236.340 3.243 20 0 BGADHN CC[C@](C)(N)c1cc(-c2ccccc2C)no1 ZINC000901388679 584436881 /nfs/dbraw/zinc/43/68/81/584436881.db2.gz XJUKBIXZCPLJDQ-AWEZNQCLSA-N 0 3 230.311 3.234 20 0 BGADHN CC[C@@](C)(N)c1cc(-c2ccccc2C)no1 ZINC000901388680 584436668 /nfs/dbraw/zinc/43/66/68/584436668.db2.gz XJUKBIXZCPLJDQ-CQSZACIVSA-N 0 3 230.311 3.234 20 0 BGADHN CC(C)(C)NCc1cc(-c2cccs2)no1 ZINC000901388718 584436708 /nfs/dbraw/zinc/43/67/08/584436708.db2.gz YGGKPMFQCFEQQX-UHFFFAOYSA-N 0 3 236.340 3.291 20 0 BGADHN CCc1ccc(-c2cc(CNC3CC3)on2)cc1 ZINC000901388992 584436851 /nfs/dbraw/zinc/43/68/51/584436851.db2.gz FCAYLGYHTRIQGB-UHFFFAOYSA-N 0 3 242.322 3.156 20 0 BGADHN CCc1ccc(-c2cc(C(C)(C)NC)on2)cc1 ZINC000901389146 584436883 /nfs/dbraw/zinc/43/68/83/584436883.db2.gz JRVYUBJUDLSORH-UHFFFAOYSA-N 0 3 244.338 3.359 20 0 BGADHN CCc1ccc(-c2cc([C@@](C)(N)CC)on2)cc1 ZINC000901389193 584436673 /nfs/dbraw/zinc/43/66/73/584436673.db2.gz LQONFZXELFIWJJ-HNNXBMFYSA-N 0 3 244.338 3.488 20 0 BGADHN CCc1ccc(-c2cc([C@](C)(N)CC)on2)cc1 ZINC000901389194 584436695 /nfs/dbraw/zinc/43/66/95/584436695.db2.gz LQONFZXELFIWJJ-OAHLLOKOSA-N 0 3 244.338 3.488 20 0 BGADHN CCNCc1cc(-c2ccc(CC)cc2)no1 ZINC000901389195 584436871 /nfs/dbraw/zinc/43/68/71/584436871.db2.gz LVJWPTYJBQGUKA-UHFFFAOYSA-N 0 3 230.311 3.014 20 0 BGADHN CCc1ccc(-c2cc(CNC(C)C)on2)cc1 ZINC000901389318 584436684 /nfs/dbraw/zinc/43/66/84/584436684.db2.gz QMVFKFWMDQMIFJ-UHFFFAOYSA-N 0 3 244.338 3.402 20 0 BGADHN CCc1ccc(-c2cc(CCN(C)C)on2)cc1 ZINC000901389367 584436986 /nfs/dbraw/zinc/43/69/86/584436986.db2.gz SIMQOCXWSDCXIY-UHFFFAOYSA-N 0 3 244.338 3.008 20 0 BGADHN CCc1ccc(-c2cc([C@H](C)NC)on2)cc1 ZINC000901389386 584436908 /nfs/dbraw/zinc/43/69/08/584436908.db2.gz SWRCMQSSTASGBN-JTQLQIEISA-N 0 3 230.311 3.184 20 0 BGADHN CCc1ccc(-c2cc([C@@H](C)NC)on2)cc1 ZINC000901389387 584436827 /nfs/dbraw/zinc/43/68/27/584436827.db2.gz SWRCMQSSTASGBN-SNVBAGLBSA-N 0 3 230.311 3.184 20 0 BGADHN CNCc1cc(-c2ccc(C(C)(C)C)cc2)no1 ZINC000901394448 584437808 /nfs/dbraw/zinc/43/78/08/584437808.db2.gz SSGAKECWRSESQM-UHFFFAOYSA-N 0 3 244.338 3.359 20 0 BGADHN CCOc1ccccc1-c1cc([C@H](C)NC)on1 ZINC000901395181 584437739 /nfs/dbraw/zinc/43/77/39/584437739.db2.gz IYTZLDYCQPQQCZ-JTQLQIEISA-N 0 3 246.310 3.021 20 0 BGADHN CCOc1ccccc1-c1cc([C@@H](C)NC)on1 ZINC000901395182 584438049 /nfs/dbraw/zinc/43/80/49/584438049.db2.gz IYTZLDYCQPQQCZ-SNVBAGLBSA-N 0 3 246.310 3.021 20 0 BGADHN CN[C@H](C)c1cc(-c2ccc(Cl)cc2)no1 ZINC000901398361 584438903 /nfs/dbraw/zinc/43/89/03/584438903.db2.gz QKYKBXYGONCCNP-MRVPVSSYSA-N 0 3 236.702 3.275 20 0 BGADHN CN[C@@H](C)c1cc(-c2ccc(Cl)cc2)no1 ZINC000901398362 584438975 /nfs/dbraw/zinc/43/89/75/584438975.db2.gz QKYKBXYGONCCNP-QMMMGPOBSA-N 0 3 236.702 3.275 20 0 BGADHN CC[C@@](C)(N)c1cc(-c2ccccc2F)no1 ZINC000901399001 584438920 /nfs/dbraw/zinc/43/89/20/584438920.db2.gz ARQJPFOESSTHAW-CYBMUJFWSA-N 0 3 234.274 3.065 20 0 BGADHN CC[C@](C)(N)c1cc(-c2ccccc2F)no1 ZINC000901399002 584438792 /nfs/dbraw/zinc/43/87/92/584438792.db2.gz ARQJPFOESSTHAW-ZDUSSCGKSA-N 0 3 234.274 3.065 20 0 BGADHN Fc1cccc(-c2cc(CN3CCCC3)on2)c1 ZINC000901399412 584439104 /nfs/dbraw/zinc/43/91/04/584439104.db2.gz GKXZEJIYOYOECU-UHFFFAOYSA-N 0 3 246.285 3.077 20 0 BGADHN CCN(CC)Cc1cc(-c2ccccc2F)no1 ZINC000901399434 584438940 /nfs/dbraw/zinc/43/89/40/584438940.db2.gz HGLCLGUEJNPHJV-UHFFFAOYSA-N 0 3 248.301 3.323 20 0 BGADHN CC(C)N(C)Cc1cc(-c2cccc(F)c2)no1 ZINC000901399441 584439672 /nfs/dbraw/zinc/43/96/72/584439672.db2.gz HLYHLGXVQOCGNT-UHFFFAOYSA-N 0 3 248.301 3.321 20 0 BGADHN CNC(C)(C)c1cc(-c2ccc(C)cc2)no1 ZINC000901400103 584434635 /nfs/dbraw/zinc/43/46/35/584434635.db2.gz KUHFAAZCWBIBGJ-UHFFFAOYSA-N 0 3 230.311 3.105 20 0 BGADHN CCN(CC)Cc1cc(-c2cccc(F)c2)no1 ZINC000901400195 637253491 /nfs/dbraw/zinc/25/34/91/637253491.db2.gz QSZTXHWAGIHDPM-UHFFFAOYSA-N 0 3 248.301 3.323 20 0 BGADHN CC(C)N(C)Cc1cc(-c2ccccc2F)no1 ZINC000901400207 637252507 /nfs/dbraw/zinc/25/25/07/637252507.db2.gz RDKBQJQUYCBPIS-UHFFFAOYSA-N 0 3 248.301 3.321 20 0 BGADHN Fc1ccccc1-c1cc(CN2CCCC2)on1 ZINC000901400716 637252677 /nfs/dbraw/zinc/25/26/77/637252677.db2.gz WGZQHGRITMFVKI-UHFFFAOYSA-N 0 3 246.285 3.077 20 0 BGADHN CC[C@@](C)(N)c1cc(-c2cccc(F)c2)no1 ZINC000901400923 584443110 /nfs/dbraw/zinc/44/31/10/584443110.db2.gz ZLFTUZNPOZODGH-CYBMUJFWSA-N 0 3 234.274 3.065 20 0 BGADHN CC[C@](C)(N)c1cc(-c2cccc(F)c2)no1 ZINC000901400924 584442967 /nfs/dbraw/zinc/44/29/67/584442967.db2.gz ZLFTUZNPOZODGH-ZDUSSCGKSA-N 0 3 234.274 3.065 20 0 BGADHN CC[C@](C)(N)c1cc(-c2ccc(C)cc2)no1 ZINC000901401425 584443217 /nfs/dbraw/zinc/44/32/17/584443217.db2.gz TWJBQIPUDXDCDK-AWEZNQCLSA-N 0 3 230.311 3.234 20 0 BGADHN CC[C@@](C)(N)c1cc(-c2ccc(C)cc2)no1 ZINC000901401426 584443232 /nfs/dbraw/zinc/44/32/32/584443232.db2.gz TWJBQIPUDXDCDK-CQSZACIVSA-N 0 3 230.311 3.234 20 0 BGADHN Fc1ccc2c(c1)[C@H](NC/C=C\Cl)CC2 ZINC000901706969 584486213 /nfs/dbraw/zinc/48/62/13/584486213.db2.gz RIOHZUQDKZHRHX-CEOGKZTLSA-N 0 3 225.694 3.155 20 0 BGADHN Fc1ccc2c(c1)[C@H](NC/C=C/Cl)CC2 ZINC000901706970 584486539 /nfs/dbraw/zinc/48/65/39/584486539.db2.gz RIOHZUQDKZHRHX-HLNGDGCFSA-N 0 3 225.694 3.155 20 0 BGADHN Fc1ccc2c(c1)[C@@H](NC/C=C/Cl)CC2 ZINC000901706971 584486547 /nfs/dbraw/zinc/48/65/47/584486547.db2.gz RIOHZUQDKZHRHX-KSWOAECYSA-N 0 3 225.694 3.155 20 0 BGADHN Fc1ccc2c(c1)[C@@H](NC/C=C\Cl)CC2 ZINC000901706972 584486246 /nfs/dbraw/zinc/48/62/46/584486246.db2.gz RIOHZUQDKZHRHX-VFANIBTQSA-N 0 3 225.694 3.155 20 0 BGADHN CCCCCC[C@@H](C)NCc1cn(CC)cn1 ZINC000902025835 584512748 /nfs/dbraw/zinc/51/27/48/584512748.db2.gz KXNACABTWOIKJT-CYBMUJFWSA-N 0 3 237.391 3.352 20 0 BGADHN CCCCCC[C@H](C)NCc1cn(CC)cn1 ZINC000902025849 584512304 /nfs/dbraw/zinc/51/23/04/584512304.db2.gz KXNACABTWOIKJT-ZDUSSCGKSA-N 0 3 237.391 3.352 20 0 BGADHN CCn1cnc(CNC2CCCCCCC2)c1 ZINC000902026815 584513177 /nfs/dbraw/zinc/51/31/77/584513177.db2.gz QJMNOKMZBALPLA-UHFFFAOYSA-N 0 3 235.375 3.106 20 0 BGADHN CCn1cnc(CN[C@H](C)CCCC(C)C)c1 ZINC000902027222 584513029 /nfs/dbraw/zinc/51/30/29/584513029.db2.gz UEYXUGOANZRHMR-CYBMUJFWSA-N 0 3 237.391 3.207 20 0 BGADHN CCn1cnc(CN[C@@H](C)CCCC(C)C)c1 ZINC000902027225 584513061 /nfs/dbraw/zinc/51/30/61/584513061.db2.gz UEYXUGOANZRHMR-ZDUSSCGKSA-N 0 3 237.391 3.207 20 0 BGADHN CNc1ccc(C)cc1CNCc1ccccc1 ZINC000902028321 584513226 /nfs/dbraw/zinc/51/32/26/584513226.db2.gz OXQXPECPTACKJS-UHFFFAOYSA-N 0 3 240.350 3.327 20 0 BGADHN CCCC[C@@H](CC)CNCc1cn(CC)cn1 ZINC000902029309 584513330 /nfs/dbraw/zinc/51/33/30/584513330.db2.gz XENTTXKVQKZANP-CYBMUJFWSA-N 0 3 237.391 3.209 20 0 BGADHN CCCC[C@H](CC)CNCc1cn(CC)cn1 ZINC000902029311 584513364 /nfs/dbraw/zinc/51/33/64/584513364.db2.gz XENTTXKVQKZANP-ZDUSSCGKSA-N 0 3 237.391 3.209 20 0 BGADHN CCNc1ccccc1CNCc1ccccc1 ZINC000902029553 584513595 /nfs/dbraw/zinc/51/35/95/584513595.db2.gz ZROOXAVXJJXJIH-UHFFFAOYSA-N 0 3 240.350 3.408 20 0 BGADHN CCNc1ccccc1CNCc1cccs1 ZINC000902032612 584519062 /nfs/dbraw/zinc/51/90/62/584519062.db2.gz AMQIGUVMFPVTNY-UHFFFAOYSA-N 0 3 246.379 3.470 20 0 BGADHN CCNc1ccccc1CNCCc1ccco1 ZINC000902033379 584518785 /nfs/dbraw/zinc/51/87/85/584518785.db2.gz DPOPCHFICLSSGR-UHFFFAOYSA-N 0 3 244.338 3.044 20 0 BGADHN CNc1ccc(C)cc1CNCc1cccs1 ZINC000902034832 584514513 /nfs/dbraw/zinc/51/45/13/584514513.db2.gz LEEPMGURANEIJW-UHFFFAOYSA-N 0 3 246.379 3.388 20 0 BGADHN CNc1ccccc1CNCc1ccccc1C ZINC000902035492 584515126 /nfs/dbraw/zinc/51/51/26/584515126.db2.gz PHFUWZHCJISPHI-UHFFFAOYSA-N 0 3 240.350 3.327 20 0 BGADHN CNc1ccccc1CNCc1ccc(C)cc1 ZINC000902036364 584515131 /nfs/dbraw/zinc/51/51/31/584515131.db2.gz VKZBDCSZVHPVNK-UHFFFAOYSA-N 0 3 240.350 3.327 20 0 BGADHN CNc1ccccc1CNCc1cccc(C)c1 ZINC000902051666 584517659 /nfs/dbraw/zinc/51/76/59/584517659.db2.gz PSGGKKKGBILXEQ-UHFFFAOYSA-N 0 3 240.350 3.327 20 0 BGADHN CCn1cnc(CNC(C)(C)CC(C)(C)C)c1 ZINC000902053942 584518435 /nfs/dbraw/zinc/51/84/35/584518435.db2.gz PLZHDUNXUJTMNP-UHFFFAOYSA-N 0 3 237.391 3.207 20 0 BGADHN CNc1ccccc1CN[C@H](C)Cc1ccco1 ZINC000902054417 584518327 /nfs/dbraw/zinc/51/83/27/584518327.db2.gz DROHHNCHJCGJEQ-GFCCVEGCSA-N 0 3 244.338 3.042 20 0 BGADHN CNc1ccccc1CN[C@@H](C)Cc1ccco1 ZINC000902054418 584518525 /nfs/dbraw/zinc/51/85/25/584518525.db2.gz DROHHNCHJCGJEQ-LBPRGKRZSA-N 0 3 244.338 3.042 20 0 BGADHN CNc1ccc(C)cc1CNCc1ccsc1 ZINC000902066103 584522161 /nfs/dbraw/zinc/52/21/61/584522161.db2.gz XCZWNNFIOUHGHN-UHFFFAOYSA-N 0 3 246.379 3.388 20 0 BGADHN CNc1ccccc1CNCc1ccc(C)s1 ZINC000902079352 584520898 /nfs/dbraw/zinc/52/08/98/584520898.db2.gz SYUATHDLIFLGBF-UHFFFAOYSA-N 0 3 246.379 3.388 20 0 BGADHN CNc1ccccc1CNCc1sccc1C ZINC000902109120 584523797 /nfs/dbraw/zinc/52/37/97/584523797.db2.gz SXFICAKEZVNAKJ-UHFFFAOYSA-N 0 3 246.379 3.388 20 0 BGADHN Cc1oc(C(C)(C)C)cc1CNc1nccn1C ZINC000902115396 584527627 /nfs/dbraw/zinc/52/76/27/584527627.db2.gz FHDKILKKPQPLQL-UHFFFAOYSA-N 0 3 247.342 3.231 20 0 BGADHN CCn1cnc(CNC[C@@H](C)C2CCCCC2)c1 ZINC000902123553 584528571 /nfs/dbraw/zinc/52/85/71/584528571.db2.gz XZJASXKZBKYHLU-CYBMUJFWSA-N 0 3 249.402 3.209 20 0 BGADHN CCn1cnc(CNC[C@H](C)C2CCCCC2)c1 ZINC000902123555 584528504 /nfs/dbraw/zinc/52/85/04/584528504.db2.gz XZJASXKZBKYHLU-ZDUSSCGKSA-N 0 3 249.402 3.209 20 0 BGADHN CC[C@H](NCc1cn(CC)cn1)C1CCCCC1 ZINC000902157963 584532490 /nfs/dbraw/zinc/53/24/90/584532490.db2.gz QEVTUGNRLJMNEE-HNNXBMFYSA-N 0 3 249.402 3.352 20 0 BGADHN CC[C@@H](NCc1cn(CC)cn1)C1CCCCC1 ZINC000902157964 584532336 /nfs/dbraw/zinc/53/23/36/584532336.db2.gz QEVTUGNRLJMNEE-OAHLLOKOSA-N 0 3 249.402 3.352 20 0 BGADHN CCn1cnc(CN[C@H]2CCCC[C@@H]2C(C)C)c1 ZINC000902183116 584533271 /nfs/dbraw/zinc/53/32/71/584533271.db2.gz OXZUOBVNLQHZMI-CABCVRRESA-N 0 3 249.402 3.207 20 0 BGADHN CCn1cnc(CN[C@H]2CCCC[C@H]2C(C)C)c1 ZINC000902183117 584532974 /nfs/dbraw/zinc/53/29/74/584532974.db2.gz OXZUOBVNLQHZMI-GJZGRUSLSA-N 0 3 249.402 3.207 20 0 BGADHN CCn1cnc(CN[C@@H]2CCCC[C@@H]2C(C)C)c1 ZINC000902183118 584532982 /nfs/dbraw/zinc/53/29/82/584532982.db2.gz OXZUOBVNLQHZMI-HUUCEWRRSA-N 0 3 249.402 3.207 20 0 BGADHN CCn1cnc(CN[C@@H]2CCCC[C@H]2C(C)C)c1 ZINC000902183119 584533253 /nfs/dbraw/zinc/53/32/53/584533253.db2.gz OXZUOBVNLQHZMI-LSDHHAIUSA-N 0 3 249.402 3.207 20 0 BGADHN CCCC[C@H]1CCC[C@H]1NCc1cn(CC)cn1 ZINC000902184306 584532962 /nfs/dbraw/zinc/53/29/62/584532962.db2.gz PDALPEYPDAMYBT-DZGCQCFKSA-N 0 3 249.402 3.352 20 0 BGADHN CCCC[C@@H]1CCC[C@@H]1NCc1cn(CC)cn1 ZINC000902184307 584532766 /nfs/dbraw/zinc/53/27/66/584532766.db2.gz PDALPEYPDAMYBT-HIFRSBDPSA-N 0 3 249.402 3.352 20 0 BGADHN CCCC[C@@H]1CCC[C@H]1NCc1cn(CC)cn1 ZINC000902184308 584532842 /nfs/dbraw/zinc/53/28/42/584532842.db2.gz PDALPEYPDAMYBT-UKRRQHHQSA-N 0 3 249.402 3.352 20 0 BGADHN CCCC[C@H]1CCC[C@@H]1NCc1cn(CC)cn1 ZINC000902184309 584533268 /nfs/dbraw/zinc/53/32/68/584533268.db2.gz PDALPEYPDAMYBT-ZFWWWQNUSA-N 0 3 249.402 3.352 20 0 BGADHN CCC[C@H]1CCCC[C@H]1NCc1cn(CC)cn1 ZINC000902184637 584533146 /nfs/dbraw/zinc/53/31/46/584533146.db2.gz WVAGRZKIHRZMKQ-DZGCQCFKSA-N 0 3 249.402 3.352 20 0 BGADHN CCC[C@@H]1CCCC[C@@H]1NCc1cn(CC)cn1 ZINC000902184638 584533063 /nfs/dbraw/zinc/53/30/63/584533063.db2.gz WVAGRZKIHRZMKQ-HIFRSBDPSA-N 0 3 249.402 3.352 20 0 BGADHN CCC[C@@H]1CCCC[C@H]1NCc1cn(CC)cn1 ZINC000902184639 584533240 /nfs/dbraw/zinc/53/32/40/584533240.db2.gz WVAGRZKIHRZMKQ-UKRRQHHQSA-N 0 3 249.402 3.352 20 0 BGADHN CCC[C@H]1CCCC[C@@H]1NCc1cn(CC)cn1 ZINC000902184640 584532956 /nfs/dbraw/zinc/53/29/56/584532956.db2.gz WVAGRZKIHRZMKQ-ZFWWWQNUSA-N 0 3 249.402 3.352 20 0 BGADHN CCn1cnc(CN[C@H]2CCC[C@H](C(C)C)C2)c1 ZINC000902193549 584535850 /nfs/dbraw/zinc/53/58/50/584535850.db2.gz BRPZKDYXBPLSAM-KBPBESRZSA-N 0 3 249.402 3.207 20 0 BGADHN CCn1cnc(CN[C@H]2CCC[C@@H](C(C)C)C2)c1 ZINC000902193550 584536166 /nfs/dbraw/zinc/53/61/66/584536166.db2.gz BRPZKDYXBPLSAM-KGLIPLIRSA-N 0 3 249.402 3.207 20 0 BGADHN CCn1cnc(CN[C@@H]2CCC[C@H](C(C)C)C2)c1 ZINC000902193551 584536244 /nfs/dbraw/zinc/53/62/44/584536244.db2.gz BRPZKDYXBPLSAM-UONOGXRCSA-N 0 3 249.402 3.207 20 0 BGADHN CCn1cnc(CN[C@@H]2CCC[C@@H](C(C)C)C2)c1 ZINC000902193552 584536183 /nfs/dbraw/zinc/53/61/83/584536183.db2.gz BRPZKDYXBPLSAM-ZIAGYGMSSA-N 0 3 249.402 3.207 20 0 BGADHN CCn1cnc(CNCCCCC(C)(C)C)c1 ZINC000902194904 584536586 /nfs/dbraw/zinc/53/65/86/584536586.db2.gz KYMPXMCXZTVJND-UHFFFAOYSA-N 0 3 237.391 3.209 20 0 BGADHN CCn1cnc(CN[C@H](C)CCC(C)(C)C)c1 ZINC000902254517 584544258 /nfs/dbraw/zinc/54/42/58/584544258.db2.gz FONCOZAXHJXGOX-GFCCVEGCSA-N 0 3 237.391 3.207 20 0 BGADHN CCn1cnc(CN[C@@H](C)CCC(C)(C)C)c1 ZINC000902254518 584544324 /nfs/dbraw/zinc/54/43/24/584544324.db2.gz FONCOZAXHJXGOX-LBPRGKRZSA-N 0 3 237.391 3.207 20 0 BGADHN CNc1ccc(C)cc1CNCCC(F)(F)F ZINC000902290788 584548446 /nfs/dbraw/zinc/54/84/46/584548446.db2.gz LHAZBWAKNBTSJI-UHFFFAOYSA-N 0 3 246.276 3.079 20 0 BGADHN CCNc1ccccc1CNCCC(F)(F)F ZINC000902291410 584548748 /nfs/dbraw/zinc/54/87/48/584548748.db2.gz QRIJBNTVJAEPGO-UHFFFAOYSA-N 0 3 246.276 3.160 20 0 BGADHN CCn1cnc(CNCC(C)(C)CC(C)C)c1 ZINC000902299884 584553290 /nfs/dbraw/zinc/55/32/90/584553290.db2.gz HQEJFTKFIPYCEZ-UHFFFAOYSA-N 0 3 237.391 3.065 20 0 BGADHN CCn1cnc(CN[C@@H]2CCC(C)(C)C[C@@H]2C)c1 ZINC000902300213 584553621 /nfs/dbraw/zinc/55/36/21/584553621.db2.gz KHSSCIGODRLNCZ-GXTWGEPZSA-N 0 3 249.402 3.207 20 0 BGADHN CCn1cnc(CN[C@H]2CCC(C)(C)C[C@@H]2C)c1 ZINC000902300214 584553891 /nfs/dbraw/zinc/55/38/91/584553891.db2.gz KHSSCIGODRLNCZ-JSGCOSHPSA-N 0 3 249.402 3.207 20 0 BGADHN CCn1cnc(CN[C@H]2CCC(C)(C)C[C@H]2C)c1 ZINC000902300215 584553610 /nfs/dbraw/zinc/55/36/10/584553610.db2.gz KHSSCIGODRLNCZ-OCCSQVGLSA-N 0 3 249.402 3.207 20 0 BGADHN CCn1cnc(CN[C@@H]2CCC(C)(C)C[C@H]2C)c1 ZINC000902300216 584553883 /nfs/dbraw/zinc/55/38/83/584553883.db2.gz KHSSCIGODRLNCZ-TZMCWYRMSA-N 0 3 249.402 3.207 20 0 BGADHN Cc1[nH]ncc1CNc1ccc(C(C)(C)C)nc1 ZINC000902300799 584553607 /nfs/dbraw/zinc/55/36/07/584553607.db2.gz FFZMXXVLOUWVRY-UHFFFAOYSA-N 0 3 244.342 3.023 20 0 BGADHN CCCC[C@@H](CCC)NCc1cn(CC)cn1 ZINC000902301324 584553923 /nfs/dbraw/zinc/55/39/23/584553923.db2.gz TWYOAMIJBGUFES-CYBMUJFWSA-N 0 3 237.391 3.352 20 0 BGADHN CCCC[C@H](CCC)NCc1cn(CC)cn1 ZINC000902301325 584553820 /nfs/dbraw/zinc/55/38/20/584553820.db2.gz TWYOAMIJBGUFES-ZDUSSCGKSA-N 0 3 237.391 3.352 20 0 BGADHN CCn1cnc(CNCC(CC)(CC)CC)c1 ZINC000902312196 584555139 /nfs/dbraw/zinc/55/51/39/584555139.db2.gz JAMLINSXMUFZDU-UHFFFAOYSA-N 0 3 237.391 3.209 20 0 BGADHN CCn1cnc(CNCC2(CC(C)C)CCC2)c1 ZINC000902313086 584554920 /nfs/dbraw/zinc/55/49/20/584554920.db2.gz WWCBUKVBOPFYHE-UHFFFAOYSA-N 0 3 249.402 3.209 20 0 BGADHN CCn1cnc(CNC2CCC(C(C)C)CC2)c1 ZINC000902326052 584560336 /nfs/dbraw/zinc/56/03/36/584560336.db2.gz BMSCZHGUSRJAIT-UHFFFAOYSA-N 0 3 249.402 3.207 20 0 BGADHN CNc1ccccc1CN[C@@H]1CCC(F)(F)C1 ZINC000902326765 584560802 /nfs/dbraw/zinc/56/08/02/584560802.db2.gz DSQNNBZRCZSRPN-LLVKDONJSA-N 0 3 240.297 3.006 20 0 BGADHN CNc1ccccc1CN[C@H]1CCC(F)(F)C1 ZINC000902326768 584560936 /nfs/dbraw/zinc/56/09/36/584560936.db2.gz DSQNNBZRCZSRPN-NSHDSACASA-N 0 3 240.297 3.006 20 0 BGADHN CNc1ccccc1CNc1cc(C)cc(C)n1 ZINC000902401725 584587568 /nfs/dbraw/zinc/58/75/68/584587568.db2.gz BYDYPMZJZIHVMG-UHFFFAOYSA-N 0 3 241.338 3.352 20 0 BGADHN CCn1cnc(CNCC(C)(C)C2CCCC2)c1 ZINC000902409691 584575428 /nfs/dbraw/zinc/57/54/28/584575428.db2.gz MGBDBKBAJGOUKK-UHFFFAOYSA-N 0 3 249.402 3.209 20 0 BGADHN CNc1ccc(C)cc1CN[C@H](C)c1ccc[nH]1 ZINC000902418757 584591996 /nfs/dbraw/zinc/59/19/96/584591996.db2.gz MIFKZPNWZWIXJC-GFCCVEGCSA-N 0 3 243.354 3.216 20 0 BGADHN CNc1ccc(C)cc1CN[C@@H](C)c1ccc[nH]1 ZINC000902418758 584592083 /nfs/dbraw/zinc/59/20/83/584592083.db2.gz MIFKZPNWZWIXJC-LBPRGKRZSA-N 0 3 243.354 3.216 20 0 BGADHN CCn1cnc(CNCCC2=CCCCCC2)c1 ZINC000902486315 584625198 /nfs/dbraw/zinc/62/51/98/584625198.db2.gz DMIGOKGDXLBXDY-UHFFFAOYSA-N 0 3 247.386 3.273 20 0 BGADHN CNc1ccccc1CN[C@H](C)CC(F)(F)F ZINC000902486798 584625822 /nfs/dbraw/zinc/62/58/22/584625822.db2.gz HBHNVHCDWCTQQC-SECBINFHSA-N 0 3 246.276 3.159 20 0 BGADHN CNc1ccccc1CN[C@@H](C)CC(F)(F)F ZINC000902486809 584626084 /nfs/dbraw/zinc/62/60/84/584626084.db2.gz HBHNVHCDWCTQQC-VIFPVBQESA-N 0 3 246.276 3.159 20 0 BGADHN CCCCCC[C@H](C)NCc1csc(N)n1 ZINC000902489411 584627439 /nfs/dbraw/zinc/62/74/39/584627439.db2.gz QJJRVEXLFBQDEE-JTQLQIEISA-N 0 3 241.404 3.174 20 0 BGADHN CCCCCC[C@@H](C)NCc1csc(N)n1 ZINC000902489412 584627613 /nfs/dbraw/zinc/62/76/13/584627613.db2.gz QJJRVEXLFBQDEE-SNVBAGLBSA-N 0 3 241.404 3.174 20 0 BGADHN CC[C@@H](C)C[C@@H](CC)NCc1csc(N)n1 ZINC000902490065 584617118 /nfs/dbraw/zinc/61/71/18/584617118.db2.gz VGIDWDCVAUPOBJ-NXEZZACHSA-N 0 3 241.404 3.030 20 0 BGADHN CC[C@H](C)C[C@H](CC)NCc1csc(N)n1 ZINC000902490067 584617146 /nfs/dbraw/zinc/61/71/46/584617146.db2.gz VGIDWDCVAUPOBJ-UWVGGRQHSA-N 0 3 241.404 3.030 20 0 BGADHN CC[C@H](C[C@@H](C)CC)NCc1csc(N)n1 ZINC000902490068 584617537 /nfs/dbraw/zinc/61/75/37/584617537.db2.gz VGIDWDCVAUPOBJ-VHSXEESVSA-N 0 3 241.404 3.030 20 0 BGADHN CC[C@@H](C)C[C@H](CC)NCc1csc(N)n1 ZINC000902490069 584617338 /nfs/dbraw/zinc/61/73/38/584617338.db2.gz VGIDWDCVAUPOBJ-ZJUUUORDSA-N 0 3 241.404 3.030 20 0 BGADHN CCC[C@H](C)[C@@H](CC)NCc1csc(N)n1 ZINC000902491212 584618254 /nfs/dbraw/zinc/61/82/54/584618254.db2.gz QDYXTQVDEJEYHM-GXSJLCMTSA-N 0 3 241.404 3.030 20 0 BGADHN CCC[C@@H](C)[C@H](CC)NCc1csc(N)n1 ZINC000902491213 584618289 /nfs/dbraw/zinc/61/82/89/584618289.db2.gz QDYXTQVDEJEYHM-KOLCDFICSA-N 0 3 241.404 3.030 20 0 BGADHN CCC[C@@H](C)[C@@H](CC)NCc1csc(N)n1 ZINC000902491214 584618509 /nfs/dbraw/zinc/61/85/09/584618509.db2.gz QDYXTQVDEJEYHM-MWLCHTKSSA-N 0 3 241.404 3.030 20 0 BGADHN CCC[C@H](C)[C@H](CC)NCc1csc(N)n1 ZINC000902491215 584618112 /nfs/dbraw/zinc/61/81/12/584618112.db2.gz QDYXTQVDEJEYHM-ONGXEEELSA-N 0 3 241.404 3.030 20 0 BGADHN CC(C)CCC[C@H](C)NCc1csc(N)n1 ZINC000902492027 584618248 /nfs/dbraw/zinc/61/82/48/584618248.db2.gz VUUZSHBYKHYKMO-JTQLQIEISA-N 0 3 241.404 3.030 20 0 BGADHN CC(C)CCC[C@@H](C)NCc1csc(N)n1 ZINC000902492028 584617891 /nfs/dbraw/zinc/61/78/91/584617891.db2.gz VUUZSHBYKHYKMO-SNVBAGLBSA-N 0 3 241.404 3.030 20 0 BGADHN CCCC[C@@H](C)[C@@H](C)NCc1csc(N)n1 ZINC000902499647 584619743 /nfs/dbraw/zinc/61/97/43/584619743.db2.gz QAUTYJHRMVXXFL-NXEZZACHSA-N 0 3 241.404 3.030 20 0 BGADHN CCCC[C@H](C)[C@H](C)NCc1csc(N)n1 ZINC000902499650 584619852 /nfs/dbraw/zinc/61/98/52/584619852.db2.gz QAUTYJHRMVXXFL-UWVGGRQHSA-N 0 3 241.404 3.030 20 0 BGADHN CCCC[C@H](C)[C@@H](C)NCc1csc(N)n1 ZINC000902499651 584619799 /nfs/dbraw/zinc/61/97/99/584619799.db2.gz QAUTYJHRMVXXFL-VHSXEESVSA-N 0 3 241.404 3.030 20 0 BGADHN CCCC[C@@H](C)[C@H](C)NCc1csc(N)n1 ZINC000902499654 584619898 /nfs/dbraw/zinc/61/98/98/584619898.db2.gz QAUTYJHRMVXXFL-ZJUUUORDSA-N 0 3 241.404 3.030 20 0 BGADHN CNc1ccc(C)cc1CNCC=C(C)C ZINC000902523030 584632134 /nfs/dbraw/zinc/63/21/34/584632134.db2.gz HPBZLZPZQVYFDU-UHFFFAOYSA-N 0 3 218.344 3.093 20 0 BGADHN CCNc1ccccc1CNCC=C(C)C ZINC000902525250 584632214 /nfs/dbraw/zinc/63/22/14/584632214.db2.gz XFFDGRQNFQNJNX-UHFFFAOYSA-N 0 3 218.344 3.174 20 0 BGADHN CCNc1ccccc1CNC1CC(F)(F)C1 ZINC000902527202 584632465 /nfs/dbraw/zinc/63/24/65/584632465.db2.gz BCPMKFOFWCBILX-UHFFFAOYSA-N 0 3 240.297 3.006 20 0 BGADHN CNc1ccccc1CN[C@H]1CC12CCCC2 ZINC000902528123 584632498 /nfs/dbraw/zinc/63/24/98/584632498.db2.gz KGHSJBQOHCURTJ-AWEZNQCLSA-N 0 3 230.355 3.151 20 0 BGADHN CNc1ccccc1CN[C@@H]1CC12CCCC2 ZINC000902528124 584632728 /nfs/dbraw/zinc/63/27/28/584632728.db2.gz KGHSJBQOHCURTJ-CQSZACIVSA-N 0 3 230.355 3.151 20 0 BGADHN CCn1cnc(CN[C@H](C)CC2CCCCC2)c1 ZINC000902529597 584633420 /nfs/dbraw/zinc/63/34/20/584633420.db2.gz GQXLJLXVAQWQSV-CYBMUJFWSA-N 0 3 249.402 3.352 20 0 BGADHN CCn1cnc(CN[C@@H](C)CC2CCCCC2)c1 ZINC000902529598 584633134 /nfs/dbraw/zinc/63/31/34/584633134.db2.gz GQXLJLXVAQWQSV-ZDUSSCGKSA-N 0 3 249.402 3.352 20 0 BGADHN CNc1ccccc1CNCc1cscc1C ZINC000902531860 584633340 /nfs/dbraw/zinc/63/33/40/584633340.db2.gz ZEACZHIOLVFCRO-UHFFFAOYSA-N 0 3 246.379 3.388 20 0 BGADHN CNc1ccc(C)cc1CNCCC(C)(F)F ZINC000902573828 584636857 /nfs/dbraw/zinc/63/68/57/584636857.db2.gz CDKRKOAUYHUDTA-UHFFFAOYSA-N 0 3 242.313 3.172 20 0 BGADHN CCn1cnc(CNCC(C)(C)C(C)(C)C)c1 ZINC000902575356 584637547 /nfs/dbraw/zinc/63/75/47/584637547.db2.gz ZVVJEHDYBHKQBT-UHFFFAOYSA-N 0 3 237.391 3.065 20 0 BGADHN CCNc1ccccc1CNCCC(C)(F)F ZINC000902576201 584637156 /nfs/dbraw/zinc/63/71/56/584637156.db2.gz RYDPLJJBFTVKRG-UHFFFAOYSA-N 0 3 242.313 3.253 20 0 BGADHN CCC[C@@H](NCc1cn(CC)cn1)C(C)(C)C ZINC000902577431 584637921 /nfs/dbraw/zinc/63/79/21/584637921.db2.gz BWDFTHNMPKBWRH-CYBMUJFWSA-N 0 3 237.391 3.207 20 0 BGADHN CCC[C@H](NCc1cn(CC)cn1)C(C)(C)C ZINC000902577432 584637987 /nfs/dbraw/zinc/63/79/87/584637987.db2.gz BWDFTHNMPKBWRH-ZDUSSCGKSA-N 0 3 237.391 3.207 20 0 BGADHN CC/C=C/CNCc1cc(C)ccc1NC ZINC000902577812 584638039 /nfs/dbraw/zinc/63/80/39/584638039.db2.gz IBTKQEXFFTYLEN-AATRIKPKSA-N 0 3 218.344 3.093 20 0 BGADHN CC/C=C\CNCc1cc(C)ccc1NC ZINC000902577813 584638018 /nfs/dbraw/zinc/63/80/18/584638018.db2.gz IBTKQEXFFTYLEN-WAYWQWQTSA-N 0 3 218.344 3.093 20 0 BGADHN CC/C=C/CNCc1ccccc1NCC ZINC000902578054 584637828 /nfs/dbraw/zinc/63/78/28/584637828.db2.gz MRUBFDIAXVOUQO-VMPITWQZSA-N 0 3 218.344 3.174 20 0 BGADHN CC/C=C\CNCc1ccccc1NCC ZINC000902578055 584637796 /nfs/dbraw/zinc/63/77/96/584637796.db2.gz MRUBFDIAXVOUQO-YVMONPNESA-N 0 3 218.344 3.174 20 0 BGADHN CNc1ccccc1CNCC1=CCCCC1 ZINC000902578207 584637863 /nfs/dbraw/zinc/63/78/63/584637863.db2.gz OJGPDZQAUQJDGY-UHFFFAOYSA-N 0 3 230.355 3.318 20 0 BGADHN CCn1cnc(CN[C@H](C)CCC=C(C)C)c1 ZINC000902579001 584638282 /nfs/dbraw/zinc/63/82/82/584638282.db2.gz ZPBVRGZJTWLQHN-CYBMUJFWSA-N 0 3 235.375 3.128 20 0 BGADHN CCn1cnc(CN[C@@H](C)CCC=C(C)C)c1 ZINC000902579002 584638161 /nfs/dbraw/zinc/63/81/61/584638161.db2.gz ZPBVRGZJTWLQHN-ZDUSSCGKSA-N 0 3 235.375 3.128 20 0 BGADHN CNc1ccccc1CNCc1cc(C)cs1 ZINC000902584589 584639402 /nfs/dbraw/zinc/63/94/02/584639402.db2.gz NCGKYXJKSRKSLA-UHFFFAOYSA-N 0 3 246.379 3.388 20 0 BGADHN CCn1cnc(CNC2(CC)CCCCC2)c1 ZINC000902585085 584639386 /nfs/dbraw/zinc/63/93/86/584639386.db2.gz QDDSQYDFONJENJ-UHFFFAOYSA-N 0 3 235.375 3.106 20 0 BGADHN CCn1cnc(CN[C@@H](C)[C@@H]2CCC[C@@H](C)C2)c1 ZINC000902585339 584639671 /nfs/dbraw/zinc/63/96/71/584639671.db2.gz FURSKMDAFREDNJ-HZSPNIEDSA-N 0 3 249.402 3.207 20 0 BGADHN CCn1cnc(CN[C@@H](C)[C@H]2CCC[C@H](C)C2)c1 ZINC000902585342 584639523 /nfs/dbraw/zinc/63/95/23/584639523.db2.gz FURSKMDAFREDNJ-IHRRRGAJSA-N 0 3 249.402 3.207 20 0 BGADHN CCn1cnc(CN[C@@H](C)[C@@H]2CCC[C@H](C)C2)c1 ZINC000902585345 584639549 /nfs/dbraw/zinc/63/95/49/584639549.db2.gz FURSKMDAFREDNJ-MELADBBJSA-N 0 3 249.402 3.207 20 0 BGADHN CCn1cnc(CN[C@@H](C)[C@H]2CCC[C@@H](C)C2)c1 ZINC000902585348 584639896 /nfs/dbraw/zinc/63/98/96/584639896.db2.gz FURSKMDAFREDNJ-RDBSUJKOSA-N 0 3 249.402 3.207 20 0 BGADHN CCn1cnc(CNCC(C)(C)C2=CCCC2)c1 ZINC000902587461 584639762 /nfs/dbraw/zinc/63/97/62/584639762.db2.gz RVHNZSCUBKJURA-UHFFFAOYSA-N 0 3 247.386 3.129 20 0 BGADHN CCNc1ccccc1CN[C@H]1CC1(C)C ZINC000902595701 584635620 /nfs/dbraw/zinc/63/56/20/584635620.db2.gz JTUXXQCAUGMDHA-ZDUSSCGKSA-N 0 3 218.344 3.007 20 0 BGADHN CCC[C@H](NCc1cn(CC)cn1)C1CCCC1 ZINC000902597741 584640392 /nfs/dbraw/zinc/64/03/92/584640392.db2.gz XOQVOEPNMAYUGZ-HNNXBMFYSA-N 0 3 249.402 3.352 20 0 BGADHN CCC[C@@H](NCc1cn(CC)cn1)C1CCCC1 ZINC000902597742 584640282 /nfs/dbraw/zinc/64/02/82/584640282.db2.gz XOQVOEPNMAYUGZ-OAHLLOKOSA-N 0 3 249.402 3.352 20 0 BGADHN CCn1cnc(CN[C@H]2CCC[C@@H]2C(C)(C)C)c1 ZINC000902600232 584640814 /nfs/dbraw/zinc/64/08/14/584640814.db2.gz TWEOFTHQBZIION-KBPBESRZSA-N 0 3 249.402 3.207 20 0 BGADHN CCn1cnc(CN[C@H]2CCC[C@H]2C(C)(C)C)c1 ZINC000902600233 584640681 /nfs/dbraw/zinc/64/06/81/584640681.db2.gz TWEOFTHQBZIION-KGLIPLIRSA-N 0 3 249.402 3.207 20 0 BGADHN CCn1cnc(CN[C@@H]2CCC[C@@H]2C(C)(C)C)c1 ZINC000902600234 584640684 /nfs/dbraw/zinc/64/06/84/584640684.db2.gz TWEOFTHQBZIION-UONOGXRCSA-N 0 3 249.402 3.207 20 0 BGADHN CCn1cnc(CN[C@@H]2CCC[C@H]2C(C)(C)C)c1 ZINC000902600235 584640914 /nfs/dbraw/zinc/64/09/14/584640914.db2.gz TWEOFTHQBZIION-ZIAGYGMSSA-N 0 3 249.402 3.207 20 0 BGADHN CNc1ccc(C)cc1CNCC1=CCCC1 ZINC000902621361 584644441 /nfs/dbraw/zinc/64/44/41/584644441.db2.gz GNSLUGPQZHDAGA-UHFFFAOYSA-N 0 3 230.355 3.237 20 0 BGADHN CCNc1ccccc1CNCC1=CCCC1 ZINC000902621443 584644700 /nfs/dbraw/zinc/64/47/00/584644700.db2.gz IYCBUYGJFZAMPT-UHFFFAOYSA-N 0 3 230.355 3.318 20 0 BGADHN CCn1cnc(CNC2(C)CCC(C)(C)CC2)c1 ZINC000902625980 584645705 /nfs/dbraw/zinc/64/57/05/584645705.db2.gz LYVWATOCXNBVTP-UHFFFAOYSA-N 0 3 249.402 3.352 20 0 BGADHN CNc1ccccc1CN[C@@H]1CCCC[C@@H]1F ZINC000902629678 584646420 /nfs/dbraw/zinc/64/64/20/584646420.db2.gz HQWWCNUTICDPTD-GXTWGEPZSA-N 0 3 236.334 3.099 20 0 BGADHN CNc1ccccc1CNC1(C)CC(F)(F)C1 ZINC000902640725 584649951 /nfs/dbraw/zinc/64/99/51/584649951.db2.gz JVEADPIZCGVXKU-UHFFFAOYSA-N 0 3 240.297 3.006 20 0 BGADHN CNc1ccccc1CNC(C)(C)/C=C/Cl ZINC000902654147 584651296 /nfs/dbraw/zinc/65/12/96/584651296.db2.gz CUXCMEMVHNASOQ-CMDGGOBGSA-N 0 3 238.762 3.349 20 0 BGADHN CNc1ccccc1CNC(C)(C)/C=C\Cl ZINC000902654148 584651456 /nfs/dbraw/zinc/65/14/56/584651456.db2.gz CUXCMEMVHNASOQ-HJWRWDBZSA-N 0 3 238.762 3.349 20 0 BGADHN c1nc(CN[C@@H]2CCCC3(CC3)C2)cn1C1CC1 ZINC000902681602 584655345 /nfs/dbraw/zinc/65/53/45/584655345.db2.gz COHMSDFMEHUDFP-GFCCVEGCSA-N 0 3 245.370 3.030 20 0 BGADHN c1nc(CN[C@H]2CCCC3(CC3)C2)cn1C1CC1 ZINC000902681604 584655186 /nfs/dbraw/zinc/65/51/86/584655186.db2.gz COHMSDFMEHUDFP-LBPRGKRZSA-N 0 3 245.370 3.030 20 0 BGADHN CCCCC1(NCc2cn(C3CC3)cn2)CC1 ZINC000902689193 584656647 /nfs/dbraw/zinc/65/66/47/584656647.db2.gz AMPPYRATFJSMIT-UHFFFAOYSA-N 0 3 233.359 3.030 20 0 BGADHN CC(C)CN[C@H](C)c1ccc(C(F)(F)F)cn1 ZINC000902720611 584659756 /nfs/dbraw/zinc/65/97/56/584659756.db2.gz KPQZUSFHHTVUJF-SECBINFHSA-N 0 3 246.276 3.407 20 0 BGADHN CC(C)CN[C@@H](C)c1ccc(C(F)(F)F)cn1 ZINC000902720612 584659959 /nfs/dbraw/zinc/65/99/59/584659959.db2.gz KPQZUSFHHTVUJF-VIFPVBQESA-N 0 3 246.276 3.407 20 0 BGADHN CC1(C)C(C)(C)C1(C)NCc1cn(C2CC2)cn1 ZINC000902722431 584660298 /nfs/dbraw/zinc/66/02/98/584660298.db2.gz IYKWRJZFAQSTQD-UHFFFAOYSA-N 0 3 247.386 3.132 20 0 BGADHN CCn1cnc(CNC2(C3CCCCC3)CC2)c1 ZINC000902726252 584661472 /nfs/dbraw/zinc/66/14/72/584661472.db2.gz KHUWJZLMCPAQEA-UHFFFAOYSA-N 0 3 247.386 3.106 20 0 BGADHN Cc1csc(CNC2C[C@H]3CCC[C@@H]3C2)n1 ZINC000902736022 584662487 /nfs/dbraw/zinc/66/24/87/584662487.db2.gz NIGWWRPTCFDDGX-GHMZBOCLSA-N 0 3 236.384 3.120 20 0 BGADHN Cc1csc(CNC2C[C@@H]3CCC[C@H]3C2)n1 ZINC000902736023 584662688 /nfs/dbraw/zinc/66/26/88/584662688.db2.gz NIGWWRPTCFDDGX-QWRGUYRKSA-N 0 3 236.384 3.120 20 0 BGADHN Cc1csc(CN[C@@H]2C[C@H]3CCC[C@H]3C2)n1 ZINC000902736024 584662616 /nfs/dbraw/zinc/66/26/16/584662616.db2.gz NIGWWRPTCFDDGX-ZSBIGDGJSA-N 0 3 236.384 3.120 20 0 BGADHN C[C@@H](NCC1CC1)c1ccc(C(F)(F)F)cn1 ZINC000902736625 584662553 /nfs/dbraw/zinc/66/25/53/584662553.db2.gz JKCVRSNFUGDRBS-MRVPVSSYSA-N 0 3 244.260 3.161 20 0 BGADHN C[C@H](NCC1CC1)c1ccc(C(F)(F)F)cn1 ZINC000902736626 584662769 /nfs/dbraw/zinc/66/27/69/584662769.db2.gz JKCVRSNFUGDRBS-QMMMGPOBSA-N 0 3 244.260 3.161 20 0 BGADHN Cc1cc(OCc2ccns2)c(C)c(C)n1 ZINC000902748151 584664265 /nfs/dbraw/zinc/66/42/65/584664265.db2.gz FJNZMAGKZBDEHO-UHFFFAOYSA-N 0 3 234.324 3.042 20 0 BGADHN CCc1ncc(COc2cc(C)nc(C)c2C)o1 ZINC000902749092 584664822 /nfs/dbraw/zinc/66/48/22/584664822.db2.gz UAUWXPNZUPVREC-UHFFFAOYSA-N 0 3 246.310 3.136 20 0 BGADHN Cc1nc(CNC2C[C@H]3CCC[C@@H]3C2)cs1 ZINC000902756641 584665177 /nfs/dbraw/zinc/66/51/77/584665177.db2.gz KRKVTCYEWIKZLP-GHMZBOCLSA-N 0 3 236.384 3.120 20 0 BGADHN Cc1nc(CNC2C[C@@H]3CCC[C@H]3C2)cs1 ZINC000902756642 584665387 /nfs/dbraw/zinc/66/53/87/584665387.db2.gz KRKVTCYEWIKZLP-QWRGUYRKSA-N 0 3 236.384 3.120 20 0 BGADHN Cc1nc(CN[C@@H]2C[C@H]3CCC[C@H]3C2)cs1 ZINC000902756643 584665082 /nfs/dbraw/zinc/66/50/82/584665082.db2.gz KRKVTCYEWIKZLP-ZSBIGDGJSA-N 0 3 236.384 3.120 20 0 BGADHN CC(C)c1cc(CN[C@@H]2C[C@H]3CCC[C@H]3C2)on1 ZINC000902803563 584671519 /nfs/dbraw/zinc/67/15/19/584671519.db2.gz IFOPWARZLYQUME-CLLJXQQHSA-N 0 3 248.370 3.466 20 0 BGADHN CC(C)c1cc(CNC2C[C@@H]3CCC[C@H]3C2)on1 ZINC000902803564 584671456 /nfs/dbraw/zinc/67/14/56/584671456.db2.gz IFOPWARZLYQUME-RYUDHWBXSA-N 0 3 248.370 3.466 20 0 BGADHN CC(C)c1cc(CNC2C[C@H]3CCC[C@@H]3C2)on1 ZINC000902803565 584671204 /nfs/dbraw/zinc/67/12/04/584671204.db2.gz IFOPWARZLYQUME-VXGBXAGGSA-N 0 3 248.370 3.466 20 0 BGADHN CC(C)n1ccc(CN[C@@H]2C[C@H]3CCC[C@H]3C2)n1 ZINC000902812783 584677955 /nfs/dbraw/zinc/67/79/55/584677955.db2.gz YNYVZVPAQYGTLL-AGGWBTHJSA-N 0 3 247.386 3.132 20 0 BGADHN CC(C)n1ccc(CNC2C[C@H]3CCC[C@@H]3C2)n1 ZINC000902812784 584677994 /nfs/dbraw/zinc/67/79/94/584677994.db2.gz YNYVZVPAQYGTLL-CHWSQXEVSA-N 0 3 247.386 3.132 20 0 BGADHN CC(C)n1ccc(CNC2C[C@@H]3CCC[C@H]3C2)n1 ZINC000902812785 584677885 /nfs/dbraw/zinc/67/78/85/584677885.db2.gz YNYVZVPAQYGTLL-STQMWFEESA-N 0 3 247.386 3.132 20 0 BGADHN Cc1cnc(CNC2C[C@H]3CCC[C@@H]3C2)s1 ZINC000902822536 584676403 /nfs/dbraw/zinc/67/64/03/584676403.db2.gz XGAWCSPPHHAEJP-GHMZBOCLSA-N 0 3 236.384 3.120 20 0 BGADHN Cc1cnc(CNC2C[C@@H]3CCC[C@H]3C2)s1 ZINC000902822537 584676264 /nfs/dbraw/zinc/67/62/64/584676264.db2.gz XGAWCSPPHHAEJP-QWRGUYRKSA-N 0 3 236.384 3.120 20 0 BGADHN Cc1cnc(CN[C@@H]2C[C@H]3CCC[C@H]3C2)s1 ZINC000902822538 584676468 /nfs/dbraw/zinc/67/64/68/584676468.db2.gz XGAWCSPPHHAEJP-ZSBIGDGJSA-N 0 3 236.384 3.120 20 0 BGADHN COC[C@H](NC1C[C@H]2CCC[C@@H]2C1)c1ccco1 ZINC000902829629 584677203 /nfs/dbraw/zinc/67/72/03/584677203.db2.gz CGAHOUIBYARDMR-BZPMIXESSA-N 0 3 249.354 3.135 20 0 BGADHN COC[C@H](N[C@@H]1C[C@H]2CCC[C@H]2C1)c1ccco1 ZINC000902829631 584677222 /nfs/dbraw/zinc/67/72/22/584677222.db2.gz CGAHOUIBYARDMR-CRWXNKLISA-N 0 3 249.354 3.135 20 0 BGADHN COC[C@H](NC1C[C@@H]2CCC[C@H]2C1)c1ccco1 ZINC000902829632 584677234 /nfs/dbraw/zinc/67/72/34/584677234.db2.gz CGAHOUIBYARDMR-OBJOEFQTSA-N 0 3 249.354 3.135 20 0 BGADHN COC[C@@H](N[C@@H]1C[C@H]2CCC[C@H]2C1)c1ccco1 ZINC000902829634 584677230 /nfs/dbraw/zinc/67/72/30/584677230.db2.gz CGAHOUIBYARDMR-XJFOESAGSA-N 0 3 249.354 3.135 20 0 BGADHN C[C@@H](NC1CCC1)c1ccc(C(F)(F)F)cn1 ZINC000902859663 584685840 /nfs/dbraw/zinc/68/58/40/584685840.db2.gz KONHAKCMUMVWSF-MRVPVSSYSA-N 0 3 244.260 3.304 20 0 BGADHN C[C@H](NC1CCC1)c1ccc(C(F)(F)F)cn1 ZINC000902859664 584685881 /nfs/dbraw/zinc/68/58/81/584685881.db2.gz KONHAKCMUMVWSF-QMMMGPOBSA-N 0 3 244.260 3.304 20 0 BGADHN CC1(C)C[C@H](CN2CCC[C@H](F)C2)C(C)(C)O1 ZINC000902991212 584709322 /nfs/dbraw/zinc/70/93/22/584709322.db2.gz LIRZYYVJZMBLTH-NEPJUHHUSA-N 0 3 243.366 3.014 20 0 BGADHN CC1(C)C[C@@H](CN2CCC[C@@H](F)C2)C(C)(C)O1 ZINC000902991213 584709452 /nfs/dbraw/zinc/70/94/52/584709452.db2.gz LIRZYYVJZMBLTH-NWDGAFQWSA-N 0 3 243.366 3.014 20 0 BGADHN CC1(C)C[C@@H](CN2CCC[C@H](F)C2)C(C)(C)O1 ZINC000902991214 584709223 /nfs/dbraw/zinc/70/92/23/584709223.db2.gz LIRZYYVJZMBLTH-RYUDHWBXSA-N 0 3 243.366 3.014 20 0 BGADHN CC1(C)C[C@H](CN2CCC[C@@H](F)C2)C(C)(C)O1 ZINC000902991215 584709166 /nfs/dbraw/zinc/70/91/66/584709166.db2.gz LIRZYYVJZMBLTH-VXGBXAGGSA-N 0 3 243.366 3.014 20 0 BGADHN CC[C@H](CC(F)F)CN1CCC[C@@H](F)C1 ZINC000902991832 584709735 /nfs/dbraw/zinc/70/97/35/584709735.db2.gz CNJSHCFMNUBKSX-NXEZZACHSA-N 0 3 223.282 3.102 20 0 BGADHN CC[C@@H](CC(F)F)CN1CCC[C@H](F)C1 ZINC000902991833 584710032 /nfs/dbraw/zinc/71/00/32/584710032.db2.gz CNJSHCFMNUBKSX-UWVGGRQHSA-N 0 3 223.282 3.102 20 0 BGADHN CC[C@@H](CC(F)F)CN1CCC[C@@H](F)C1 ZINC000902991834 584709760 /nfs/dbraw/zinc/70/97/60/584709760.db2.gz CNJSHCFMNUBKSX-VHSXEESVSA-N 0 3 223.282 3.102 20 0 BGADHN CC[C@H](CC(F)F)CN1CCC[C@H](F)C1 ZINC000902991835 584709817 /nfs/dbraw/zinc/70/98/17/584709817.db2.gz CNJSHCFMNUBKSX-ZJUUUORDSA-N 0 3 223.282 3.102 20 0 BGADHN F[C@@H]1CCCN(CC2CC3(CCC3)C2)C1 ZINC000902993927 584711580 /nfs/dbraw/zinc/71/15/80/584711580.db2.gz YYTZXEACTZVUQE-GFCCVEGCSA-N 0 3 211.324 3.001 20 0 BGADHN F[C@H]1CCCN(CC2CC3(CCC3)C2)C1 ZINC000902993928 584711596 /nfs/dbraw/zinc/71/15/96/584711596.db2.gz YYTZXEACTZVUQE-LBPRGKRZSA-N 0 3 211.324 3.001 20 0 BGADHN F[C@H]1CCCN(CCCCC2CCOCC2)C1 ZINC000902995619 584708451 /nfs/dbraw/zinc/70/84/51/584708451.db2.gz OKASYRLOMJKVMP-AWEZNQCLSA-N 0 3 243.366 3.017 20 0 BGADHN F[C@@H]1CCCN(CCCCC2CCOCC2)C1 ZINC000902995620 584708202 /nfs/dbraw/zinc/70/82/02/584708202.db2.gz OKASYRLOMJKVMP-CQSZACIVSA-N 0 3 243.366 3.017 20 0 BGADHN CC(C)(C)OCCCCN1CCC[C@@H](F)C1 ZINC000902996274 584714357 /nfs/dbraw/zinc/71/43/57/584714357.db2.gz RWJRGTNIAFWTDW-GFCCVEGCSA-N 0 3 231.355 3.016 20 0 BGADHN CC(C)(C)OCCCCN1CCC[C@H](F)C1 ZINC000902996277 584714070 /nfs/dbraw/zinc/71/40/70/584714070.db2.gz RWJRGTNIAFWTDW-LBPRGKRZSA-N 0 3 231.355 3.016 20 0 BGADHN F[C@H]1CCCN([C@@H]2CCc3ccccc32)C1 ZINC000902996673 584714536 /nfs/dbraw/zinc/71/45/36/584714536.db2.gz WDDIXPSWUQYPMG-GXTWGEPZSA-N 0 3 219.303 3.108 20 0 BGADHN F[C@H]1CCCN([C@H]2CCc3ccccc32)C1 ZINC000902996674 584714494 /nfs/dbraw/zinc/71/44/94/584714494.db2.gz WDDIXPSWUQYPMG-JSGCOSHPSA-N 0 3 219.303 3.108 20 0 BGADHN F[C@@H]1CCCN([C@H]2CCc3ccccc32)C1 ZINC000902996675 584714367 /nfs/dbraw/zinc/71/43/67/584714367.db2.gz WDDIXPSWUQYPMG-OCCSQVGLSA-N 0 3 219.303 3.108 20 0 BGADHN F[C@@H]1CCCN([C@@H]2CCc3ccccc32)C1 ZINC000902996677 584714293 /nfs/dbraw/zinc/71/42/93/584714293.db2.gz WDDIXPSWUQYPMG-TZMCWYRMSA-N 0 3 219.303 3.108 20 0 BGADHN C[C@@H](c1ccccc1)N1CCC[C@H](F)C1 ZINC000902997985 584714157 /nfs/dbraw/zinc/71/41/57/584714157.db2.gz DAEPSVFATXGZJK-AAEUAGOBSA-N 0 3 207.292 3.182 20 0 BGADHN C[C@H](c1ccccc1)N1CCC[C@@H](F)C1 ZINC000902997986 584714215 /nfs/dbraw/zinc/71/42/15/584714215.db2.gz DAEPSVFATXGZJK-DGCLKSJQSA-N 0 3 207.292 3.182 20 0 BGADHN C[C@@H](c1ccccc1)N1CCC[C@@H](F)C1 ZINC000902997987 584714593 /nfs/dbraw/zinc/71/45/93/584714593.db2.gz DAEPSVFATXGZJK-WCQYABFASA-N 0 3 207.292 3.182 20 0 BGADHN C[C@H](c1ccccc1)N1CCC[C@H](F)C1 ZINC000902997988 584714425 /nfs/dbraw/zinc/71/44/25/584714425.db2.gz DAEPSVFATXGZJK-YPMHNXCESA-N 0 3 207.292 3.182 20 0 BGADHN CCc1nc(C)c(CN[C@@H]2C[C@H]3CCC[C@H]3C2)o1 ZINC000902998307 584714666 /nfs/dbraw/zinc/71/46/66/584714666.db2.gz BOQSBVJBPUBWSK-CLLJXQQHSA-N 0 3 248.370 3.214 20 0 BGADHN CCc1nc(C)c(CNC2C[C@@H]3CCC[C@H]3C2)o1 ZINC000902998308 584714836 /nfs/dbraw/zinc/71/48/36/584714836.db2.gz BOQSBVJBPUBWSK-RYUDHWBXSA-N 0 3 248.370 3.214 20 0 BGADHN CCc1nc(C)c(CNC2C[C@H]3CCC[C@@H]3C2)o1 ZINC000902998309 584714870 /nfs/dbraw/zinc/71/48/70/584714870.db2.gz BOQSBVJBPUBWSK-VXGBXAGGSA-N 0 3 248.370 3.214 20 0 BGADHN Cc1ccoc1CN[C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000902998995 584715059 /nfs/dbraw/zinc/71/50/59/584715059.db2.gz KCGVBTNQOUJTTE-CLLJXQQHSA-N 0 3 219.328 3.256 20 0 BGADHN Cc1ccoc1CNC1C[C@@H]2CCC[C@H]2C1 ZINC000902998996 584714776 /nfs/dbraw/zinc/71/47/76/584714776.db2.gz KCGVBTNQOUJTTE-RYUDHWBXSA-N 0 3 219.328 3.256 20 0 BGADHN Cc1ccoc1CNC1C[C@H]2CCC[C@@H]2C1 ZINC000902998998 584715171 /nfs/dbraw/zinc/71/51/71/584715171.db2.gz KCGVBTNQOUJTTE-VXGBXAGGSA-N 0 3 219.328 3.256 20 0 BGADHN CC(C)C[C@@H](NCC(C)(F)F)C1CCOCC1 ZINC000903000483 584715717 /nfs/dbraw/zinc/71/57/17/584715717.db2.gz KYKKUJJUEJHMEC-GFCCVEGCSA-N 0 3 249.345 3.073 20 0 BGADHN CC(C)C[C@H](NCC(C)(F)F)C1CCOCC1 ZINC000903000485 584715653 /nfs/dbraw/zinc/71/56/53/584715653.db2.gz KYKKUJJUEJHMEC-LBPRGKRZSA-N 0 3 249.345 3.073 20 0 BGADHN CCc1noc(C)c1CN[C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000903000877 584715689 /nfs/dbraw/zinc/71/56/89/584715689.db2.gz NYMHZRBCBWLECI-CLLJXQQHSA-N 0 3 248.370 3.214 20 0 BGADHN CCc1noc(C)c1CNC1C[C@@H]2CCC[C@H]2C1 ZINC000903000878 584715715 /nfs/dbraw/zinc/71/57/15/584715715.db2.gz NYMHZRBCBWLECI-RYUDHWBXSA-N 0 3 248.370 3.214 20 0 BGADHN CCc1noc(C)c1CNC1C[C@H]2CCC[C@@H]2C1 ZINC000903000879 584715820 /nfs/dbraw/zinc/71/58/20/584715820.db2.gz NYMHZRBCBWLECI-VXGBXAGGSA-N 0 3 248.370 3.214 20 0 BGADHN C[C@@H]1C[C@H](NC2C[C@H]3CCC[C@@H]3C2)c2nccn21 ZINC000903010821 584717577 /nfs/dbraw/zinc/71/75/77/584717577.db2.gz QJBVVDXJLRTHSD-BYNQJWBRSA-N 0 3 245.370 3.057 20 0 BGADHN C[C@@H]1C[C@H](N[C@@H]2C[C@H]3CCC[C@H]3C2)c2nccn21 ZINC000903010822 584717542 /nfs/dbraw/zinc/71/75/42/584717542.db2.gz QJBVVDXJLRTHSD-RGDJUOJXSA-N 0 3 245.370 3.057 20 0 BGADHN C[C@@H]1C[C@@H](N[C@@H]2C[C@H]3CCC[C@H]3C2)c2nccn21 ZINC000903010823 584717694 /nfs/dbraw/zinc/71/76/94/584717694.db2.gz QJBVVDXJLRTHSD-RKQHYHRCSA-N 0 3 245.370 3.057 20 0 BGADHN C[C@@H]1C[C@H](NC2C[C@@H]3CCC[C@H]3C2)c2nccn21 ZINC000903010824 584717761 /nfs/dbraw/zinc/71/77/61/584717761.db2.gz QJBVVDXJLRTHSD-UHXUPSOCSA-N 0 3 245.370 3.057 20 0 BGADHN CCn1ccnc1[C@H](C)NC1C[C@@H]2CCC[C@H]2C1 ZINC000903011526 584717365 /nfs/dbraw/zinc/71/73/65/584717365.db2.gz ZOENUXUHEACEIL-AVGNSLFASA-N 0 3 247.386 3.132 20 0 BGADHN CCn1ccnc1[C@H](C)N[C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000903011527 584717554 /nfs/dbraw/zinc/71/75/54/584717554.db2.gz ZOENUXUHEACEIL-FQUUOJAGSA-N 0 3 247.386 3.132 20 0 BGADHN CCn1ccnc1[C@@H](C)N[C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000903011528 584717294 /nfs/dbraw/zinc/71/72/94/584717294.db2.gz ZOENUXUHEACEIL-YIYPIFLZSA-N 0 3 247.386 3.132 20 0 BGADHN CCn1ccnc1[C@H](C)NC1C[C@H]2CCC[C@@H]2C1 ZINC000903011529 584717279 /nfs/dbraw/zinc/71/72/79/584717279.db2.gz ZOENUXUHEACEIL-YNEHKIRRSA-N 0 3 247.386 3.132 20 0 BGADHN CCCc1ncc(CN[C@@H]2C[C@H]3CCC[C@H]3C2)o1 ZINC000903011974 584717425 /nfs/dbraw/zinc/71/74/25/584717425.db2.gz KVURHJLBCKXMFQ-CLLJXQQHSA-N 0 3 248.370 3.295 20 0 BGADHN CCCc1ncc(CNC2C[C@@H]3CCC[C@H]3C2)o1 ZINC000903011975 584717301 /nfs/dbraw/zinc/71/73/01/584717301.db2.gz KVURHJLBCKXMFQ-RYUDHWBXSA-N 0 3 248.370 3.295 20 0 BGADHN CCCc1ncc(CNC2C[C@H]3CCC[C@@H]3C2)o1 ZINC000903011976 584717226 /nfs/dbraw/zinc/71/72/26/584717226.db2.gz KVURHJLBCKXMFQ-VXGBXAGGSA-N 0 3 248.370 3.295 20 0 BGADHN C[C@H](NC1C[C@@H]2CCC[C@H]2C1)c1cscn1 ZINC000903048036 584723547 /nfs/dbraw/zinc/72/35/47/584723547.db2.gz HQUYJQFERLXFLR-DCAQKATOSA-N 0 3 236.384 3.372 20 0 BGADHN C[C@H](NC1C[C@H]2CCC[C@@H]2C1)c1cscn1 ZINC000903048037 584723796 /nfs/dbraw/zinc/72/37/96/584723796.db2.gz HQUYJQFERLXFLR-HBNTYKKESA-N 0 3 236.384 3.372 20 0 BGADHN C[C@@H](N[C@@H]1C[C@H]2CCC[C@H]2C1)c1cscn1 ZINC000903048038 584723736 /nfs/dbraw/zinc/72/37/36/584723736.db2.gz HQUYJQFERLXFLR-WISYIIOYSA-N 0 3 236.384 3.372 20 0 BGADHN C[C@H](N[C@@H]1C[C@H]2CCC[C@H]2C1)c1cscn1 ZINC000903048039 584723511 /nfs/dbraw/zinc/72/35/11/584723511.db2.gz HQUYJQFERLXFLR-YFKTTZPYSA-N 0 3 236.384 3.372 20 0 BGADHN Fc1ccccc1[C@@H](NC1CC1)C1CCOCC1 ZINC000903056242 584722223 /nfs/dbraw/zinc/72/22/23/584722223.db2.gz SEBZNTOPBDGROR-HNNXBMFYSA-N 0 3 249.329 3.045 20 0 BGADHN Fc1ccccc1[C@H](NC1CC1)C1CCOCC1 ZINC000903056243 584722523 /nfs/dbraw/zinc/72/25/23/584722523.db2.gz SEBZNTOPBDGROR-OAHLLOKOSA-N 0 3 249.329 3.045 20 0 BGADHN C[C@@H]1CC[C@H](C)[C@H](NCc2nccs2)[C@H]1C ZINC000903073414 584726440 /nfs/dbraw/zinc/72/64/40/584726440.db2.gz JPNUSJYCAKYBAV-BLFANLJRSA-N 0 3 238.400 3.303 20 0 BGADHN C[C@@H]1CC[C@H](C)[C@@H](NCc2nccs2)[C@@H]1C ZINC000903073415 584726340 /nfs/dbraw/zinc/72/63/40/584726340.db2.gz JPNUSJYCAKYBAV-LSCVPOLPSA-N 0 3 238.400 3.303 20 0 BGADHN C[C@@H]1CC[C@H](C)[C@@H](NCc2nccs2)[C@H]1C ZINC000903073416 584726327 /nfs/dbraw/zinc/72/63/27/584726327.db2.gz JPNUSJYCAKYBAV-MPPDQPJWSA-N 0 3 238.400 3.303 20 0 BGADHN C[C@@H]1CC[C@H](C)[C@H](NCc2nccs2)[C@@H]1C ZINC000903073418 584726234 /nfs/dbraw/zinc/72/62/34/584726234.db2.gz JPNUSJYCAKYBAV-XZUYRWCXSA-N 0 3 238.400 3.303 20 0 BGADHN CCC(C)(C)CCN[C@@H]1CCCc2c[nH]nc21 ZINC000903074976 584724175 /nfs/dbraw/zinc/72/41/75/584724175.db2.gz YPQZURYPSZTLPA-GFCCVEGCSA-N 0 3 235.375 3.203 20 0 BGADHN CCC(C)(C)CCN[C@H]1CCCc2c[nH]nc21 ZINC000903074977 584724118 /nfs/dbraw/zinc/72/41/18/584724118.db2.gz YPQZURYPSZTLPA-LBPRGKRZSA-N 0 3 235.375 3.203 20 0 BGADHN C1=C[C@H](CCCN[C@@H]2CCCc3c[nH]nc32)CC1 ZINC000903084735 584724855 /nfs/dbraw/zinc/72/48/55/584724855.db2.gz INNUBCRMKQLWIU-GXTWGEPZSA-N 0 3 245.370 3.123 20 0 BGADHN C1=C[C@H](CCCN[C@H]2CCCc3c[nH]nc32)CC1 ZINC000903084736 584724994 /nfs/dbraw/zinc/72/49/94/584724994.db2.gz INNUBCRMKQLWIU-JSGCOSHPSA-N 0 3 245.370 3.123 20 0 BGADHN C1=C[C@@H](CCCN[C@H]2CCCc3c[nH]nc32)CC1 ZINC000903084737 584724882 /nfs/dbraw/zinc/72/48/82/584724882.db2.gz INNUBCRMKQLWIU-OCCSQVGLSA-N 0 3 245.370 3.123 20 0 BGADHN C1=C[C@@H](CCCN[C@@H]2CCCc3c[nH]nc32)CC1 ZINC000903084738 584725035 /nfs/dbraw/zinc/72/50/35/584725035.db2.gz INNUBCRMKQLWIU-TZMCWYRMSA-N 0 3 245.370 3.123 20 0 BGADHN Cc1nccnc1[C@H](C)NC1C[C@@H]2CCC[C@H]2C1 ZINC000903086432 584725364 /nfs/dbraw/zinc/72/53/64/584725364.db2.gz GGYMNMKFMXNFQX-AVGNSLFASA-N 0 3 245.370 3.014 20 0 BGADHN Cc1nccnc1[C@H](C)N[C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000903086433 584725568 /nfs/dbraw/zinc/72/55/68/584725568.db2.gz GGYMNMKFMXNFQX-FQUUOJAGSA-N 0 3 245.370 3.014 20 0 BGADHN Cc1nccnc1[C@@H](C)N[C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000903086434 584725241 /nfs/dbraw/zinc/72/52/41/584725241.db2.gz GGYMNMKFMXNFQX-YIYPIFLZSA-N 0 3 245.370 3.014 20 0 BGADHN Cc1nccnc1[C@H](C)NC1C[C@H]2CCC[C@@H]2C1 ZINC000903086435 584725144 /nfs/dbraw/zinc/72/51/44/584725144.db2.gz GGYMNMKFMXNFQX-YNEHKIRRSA-N 0 3 245.370 3.014 20 0 BGADHN CCC[C@H](N[C@H]1CCC[C@@H]1OC)c1ccccn1 ZINC000903086886 584725495 /nfs/dbraw/zinc/72/54/95/584725495.db2.gz BEWNFMQQTBASEL-KKUMJFAQSA-N 0 3 248.370 3.080 20 0 BGADHN CCC[C@H](N[C@@H]1CCC[C@H]1OC)c1ccccn1 ZINC000903086887 584725269 /nfs/dbraw/zinc/72/52/69/584725269.db2.gz BEWNFMQQTBASEL-RRFJBIMHSA-N 0 3 248.370 3.080 20 0 BGADHN CCC[C@H](N[C@H]1CCC[C@H]1OC)c1ccccn1 ZINC000903086888 584725101 /nfs/dbraw/zinc/72/51/01/584725101.db2.gz BEWNFMQQTBASEL-SOUVJXGZSA-N 0 3 248.370 3.080 20 0 BGADHN CCC[C@H](N[C@@H]1CCC[C@@H]1OC)c1ccccn1 ZINC000903086889 584725499 /nfs/dbraw/zinc/72/54/99/584725499.db2.gz BEWNFMQQTBASEL-ZNMIVQPWSA-N 0 3 248.370 3.080 20 0 BGADHN CCC[C@H](C)CCN[C@H]1CCCc2c[nH]nc21 ZINC000903087548 584725369 /nfs/dbraw/zinc/72/53/69/584725369.db2.gz MOINBHISRPKNPK-AAEUAGOBSA-N 0 3 235.375 3.203 20 0 BGADHN CCC[C@@H](C)CCN[C@@H]1CCCc2c[nH]nc21 ZINC000903087549 584725282 /nfs/dbraw/zinc/72/52/82/584725282.db2.gz MOINBHISRPKNPK-DGCLKSJQSA-N 0 3 235.375 3.203 20 0 BGADHN CCC[C@H](C)CCN[C@@H]1CCCc2c[nH]nc21 ZINC000903087550 584725558 /nfs/dbraw/zinc/72/55/58/584725558.db2.gz MOINBHISRPKNPK-WCQYABFASA-N 0 3 235.375 3.203 20 0 BGADHN CCC[C@@H](C)CCN[C@H]1CCCc2c[nH]nc21 ZINC000903087551 584725094 /nfs/dbraw/zinc/72/50/94/584725094.db2.gz MOINBHISRPKNPK-YPMHNXCESA-N 0 3 235.375 3.203 20 0 BGADHN C[C@@H]1CC[C@H](C)[C@H](NCc2cscn2)[C@H]1C ZINC000903087895 584725564 /nfs/dbraw/zinc/72/55/64/584725564.db2.gz XDTYBHBMDBUUDH-BLFANLJRSA-N 0 3 238.400 3.303 20 0 BGADHN C[C@@H]1CC[C@H](C)[C@@H](NCc2cscn2)[C@@H]1C ZINC000903087896 584725230 /nfs/dbraw/zinc/72/52/30/584725230.db2.gz XDTYBHBMDBUUDH-LSCVPOLPSA-N 0 3 238.400 3.303 20 0 BGADHN C[C@@H]1CC[C@H](C)[C@@H](NCc2cscn2)[C@H]1C ZINC000903087897 584725088 /nfs/dbraw/zinc/72/50/88/584725088.db2.gz XDTYBHBMDBUUDH-MPPDQPJWSA-N 0 3 238.400 3.303 20 0 BGADHN C[C@@H]1CC[C@H](C)[C@H](NCc2cscn2)[C@@H]1C ZINC000903087898 584725544 /nfs/dbraw/zinc/72/55/44/584725544.db2.gz XDTYBHBMDBUUDH-XZUYRWCXSA-N 0 3 238.400 3.303 20 0 BGADHN Cc1cc(CN[C@@H]2[C@H](C)CC[C@@H](C)[C@H]2C)on1 ZINC000903091364 584725302 /nfs/dbraw/zinc/72/53/02/584725302.db2.gz SBWPWQXWSDJSMN-BGOOENEXSA-N 0 3 236.359 3.143 20 0 BGADHN Cc1cc(CN[C@@H]2[C@H](C)CC[C@H](C)[C@@H]2C)on1 ZINC000903091365 584725278 /nfs/dbraw/zinc/72/52/78/584725278.db2.gz SBWPWQXWSDJSMN-HEQLZXTPSA-N 0 3 236.359 3.143 20 0 BGADHN Cc1cc(CN[C@@H]2[C@H](C)CC[C@@H](C)[C@@H]2C)on1 ZINC000903091366 584725165 /nfs/dbraw/zinc/72/51/65/584725165.db2.gz SBWPWQXWSDJSMN-KOXOONSLSA-N 0 3 236.359 3.143 20 0 BGADHN Cc1cc(CN[C@@H]2[C@H](C)CC[C@H](C)[C@H]2C)on1 ZINC000903091367 584725190 /nfs/dbraw/zinc/72/51/90/584725190.db2.gz SBWPWQXWSDJSMN-UZWIWUQPSA-N 0 3 236.359 3.143 20 0 BGADHN c1c(CN[C@@H]2C[C@H]3CCC[C@H]3C2)onc1C1CC1 ZINC000903096017 584729248 /nfs/dbraw/zinc/72/92/48/584729248.db2.gz ZTDJIUQHIGXTEB-CLLJXQQHSA-N 0 3 246.354 3.220 20 0 BGADHN c1c(CNC2C[C@@H]3CCC[C@H]3C2)onc1C1CC1 ZINC000903096018 584729214 /nfs/dbraw/zinc/72/92/14/584729214.db2.gz ZTDJIUQHIGXTEB-RYUDHWBXSA-N 0 3 246.354 3.220 20 0 BGADHN c1c(CNC2C[C@H]3CCC[C@@H]3C2)onc1C1CC1 ZINC000903096019 584729122 /nfs/dbraw/zinc/72/91/22/584729122.db2.gz ZTDJIUQHIGXTEB-VXGBXAGGSA-N 0 3 246.354 3.220 20 0 BGADHN COC[C@H](N[C@H]1CCC[C@@H]2C[C@@H]21)c1ccc(C)o1 ZINC000903104032 637341212 /nfs/dbraw/zinc/34/12/12/637341212.db2.gz CXBXMTMKLYEYIR-RFGFWPKPSA-N 0 3 249.354 3.054 20 0 BGADHN COC[C@H](N[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc(C)o1 ZINC000903104033 637341268 /nfs/dbraw/zinc/34/12/68/637341268.db2.gz CXBXMTMKLYEYIR-RQJABVFESA-N 0 3 249.354 3.054 20 0 BGADHN COC[C@@H](N[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc(C)o1 ZINC000903104034 637341247 /nfs/dbraw/zinc/34/12/47/637341247.db2.gz CXBXMTMKLYEYIR-XJFOESAGSA-N 0 3 249.354 3.054 20 0 BGADHN COC[C@@H](N[C@H]1CCC[C@@H]2C[C@@H]21)c1ccc(C)o1 ZINC000903104035 584727816 /nfs/dbraw/zinc/72/78/16/584727816.db2.gz CXBXMTMKLYEYIR-ZOBORPQBSA-N 0 3 249.354 3.054 20 0 BGADHN CSC1(CN[C@@H](c2ccccn2)C2CC2)CC1 ZINC000903159423 584731191 /nfs/dbraw/zinc/73/11/91/584731191.db2.gz OPAICLPBNMXVGS-CYBMUJFWSA-N 0 3 248.395 3.018 20 0 BGADHN CSC1(CN[C@H](c2ccccn2)C2CC2)CC1 ZINC000903159424 584731117 /nfs/dbraw/zinc/73/11/17/584731117.db2.gz OPAICLPBNMXVGS-ZDUSSCGKSA-N 0 3 248.395 3.018 20 0 BGADHN c1ccc([C@@H](N[C@@H]2CC23CCCC3)C2CC2)nc1 ZINC000903160394 584731272 /nfs/dbraw/zinc/73/12/72/584731272.db2.gz LHVLZFQTQVECST-CABCVRRESA-N 0 3 242.366 3.455 20 0 BGADHN c1ccc([C@@H](N[C@H]2CC23CCCC3)C2CC2)nc1 ZINC000903160395 584731198 /nfs/dbraw/zinc/73/11/98/584731198.db2.gz LHVLZFQTQVECST-GJZGRUSLSA-N 0 3 242.366 3.455 20 0 BGADHN c1ccc([C@H](N[C@@H]2CC23CCCC3)C2CC2)nc1 ZINC000903160396 584731119 /nfs/dbraw/zinc/73/11/19/584731119.db2.gz LHVLZFQTQVECST-HUUCEWRRSA-N 0 3 242.366 3.455 20 0 BGADHN c1ccc([C@H](N[C@H]2CC23CCCC3)C2CC2)nc1 ZINC000903160397 584731040 /nfs/dbraw/zinc/73/10/40/584731040.db2.gz LHVLZFQTQVECST-LSDHHAIUSA-N 0 3 242.366 3.455 20 0 BGADHN CCn1ccnc1[C@H](C)NC[C@]12C[C@H]1CCCC2 ZINC000903161657 584731597 /nfs/dbraw/zinc/73/15/97/584731597.db2.gz NDFSKNSVTKZXJP-GUTXKFCHSA-N 0 3 247.386 3.134 20 0 BGADHN CCn1ccnc1[C@H](C)NC[C@@]12C[C@@H]1CCCC2 ZINC000903161659 584731586 /nfs/dbraw/zinc/73/15/86/584731586.db2.gz NDFSKNSVTKZXJP-KCQAQPDRSA-N 0 3 247.386 3.134 20 0 BGADHN CC[C@H](NC[C@]12C[C@H]1CCCC2)c1nccn1C ZINC000903162244 584731568 /nfs/dbraw/zinc/73/15/68/584731568.db2.gz BJTMCNGMXIZIGO-IPYPFGDCSA-N 0 3 247.386 3.041 20 0 BGADHN CC[C@H](NC[C@@]12C[C@@H]1CCCC2)c1nccn1C ZINC000903162245 584731375 /nfs/dbraw/zinc/73/13/75/584731375.db2.gz BJTMCNGMXIZIGO-KCQAQPDRSA-N 0 3 247.386 3.041 20 0 BGADHN Cc1cc([C@H](C)NCC[C@@H]2CC[C@H]3C[C@H]32)no1 ZINC000903166359 584732190 /nfs/dbraw/zinc/73/21/90/584732190.db2.gz QTJJVAHCNIPXOH-CYDGBPFRSA-N 0 3 234.343 3.070 20 0 BGADHN Cc1cc([C@H](C)NCC[C@@H]2CC[C@@H]3C[C@@H]32)no1 ZINC000903166361 584732357 /nfs/dbraw/zinc/73/23/57/584732357.db2.gz QTJJVAHCNIPXOH-WUHRBBMRSA-N 0 3 234.343 3.070 20 0 BGADHN Cc1cccc([C@@H](C)NCCOC2CC2)c1C ZINC000903170983 584734045 /nfs/dbraw/zinc/73/40/45/584734045.db2.gz OXQPBTUDMKAWKH-CYBMUJFWSA-N 0 3 233.355 3.133 20 0 BGADHN Cc1cccc([C@H](C)NCCOC2CC2)c1C ZINC000903170984 584734178 /nfs/dbraw/zinc/73/41/78/584734178.db2.gz OXQPBTUDMKAWKH-ZDUSSCGKSA-N 0 3 233.355 3.133 20 0 BGADHN FC1(CCN[C@H](c2ccccn2)C2CC2)CCC1 ZINC000903171874 584732563 /nfs/dbraw/zinc/73/25/63/584732563.db2.gz SJVYXLXIGGWZOD-AWEZNQCLSA-N 0 3 248.345 3.405 20 0 BGADHN FC1(CCN[C@@H](c2ccccn2)C2CC2)CCC1 ZINC000903171875 584732709 /nfs/dbraw/zinc/73/27/09/584732709.db2.gz SJVYXLXIGGWZOD-CQSZACIVSA-N 0 3 248.345 3.405 20 0 BGADHN CCC1(N[C@H](C)c2cnn(CC3CCC3)c2)CC1 ZINC000903177770 584732933 /nfs/dbraw/zinc/73/29/33/584732933.db2.gz BSDWMNSCQKSOTE-GFCCVEGCSA-N 0 3 247.386 3.276 20 0 BGADHN CCC1(N[C@@H](C)c2cnn(CC3CCC3)c2)CC1 ZINC000903177771 584733121 /nfs/dbraw/zinc/73/31/21/584733121.db2.gz BSDWMNSCQKSOTE-LBPRGKRZSA-N 0 3 247.386 3.276 20 0 BGADHN CCn1ccnc1CN[C@@H]1[C@H](C)CC[C@@H](C)[C@@H]1C ZINC000903178982 584733334 /nfs/dbraw/zinc/73/33/34/584733334.db2.gz LCOHHASOJAKVDF-GUIRCDHDSA-N 0 3 249.402 3.063 20 0 BGADHN CCn1ccnc1CN[C@@H]1[C@H](C)CC[C@H](C)[C@H]1C ZINC000903178983 584732944 /nfs/dbraw/zinc/73/29/44/584732944.db2.gz LCOHHASOJAKVDF-KYEXWDHISA-N 0 3 249.402 3.063 20 0 BGADHN CCn1ccnc1CN[C@@H]1[C@H](C)CC[C@@H](C)[C@H]1C ZINC000903178984 584733059 /nfs/dbraw/zinc/73/30/59/584733059.db2.gz LCOHHASOJAKVDF-RGCMKSIDSA-N 0 3 249.402 3.063 20 0 BGADHN CCn1ccnc1CN[C@@H]1[C@H](C)CC[C@H](C)[C@@H]1C ZINC000903178985 584733042 /nfs/dbraw/zinc/73/30/42/584733042.db2.gz LCOHHASOJAKVDF-SFDCQRBFSA-N 0 3 249.402 3.063 20 0 BGADHN C[C@H](N[C@H]1CC1(C)C)c1cnn(CC2CCC2)c1 ZINC000903185370 584733524 /nfs/dbraw/zinc/73/35/24/584733524.db2.gz IUNHRXIERSLJOF-FZMZJTMJSA-N 0 3 247.386 3.132 20 0 BGADHN C[C@@H](N[C@H]1CC1(C)C)c1cnn(CC2CCC2)c1 ZINC000903185371 584733700 /nfs/dbraw/zinc/73/37/00/584733700.db2.gz IUNHRXIERSLJOF-RISCZKNCSA-N 0 3 247.386 3.132 20 0 BGADHN C[C@@H](NCc1nccc2c1CCCC2)C1(C)CC1 ZINC000903185457 584733574 /nfs/dbraw/zinc/73/35/74/584733574.db2.gz UCCBLNNWMMSEIQ-GFCCVEGCSA-N 0 3 244.382 3.239 20 0 BGADHN C[C@H](NCc1nccc2c1CCCC2)C1(C)CC1 ZINC000903185458 584733757 /nfs/dbraw/zinc/73/37/57/584733757.db2.gz UCCBLNNWMMSEIQ-LBPRGKRZSA-N 0 3 244.382 3.239 20 0 BGADHN C(N[C@@H]1CCC12CCC2)c1nc2c(s1)CCC2 ZINC000903190798 584735916 /nfs/dbraw/zinc/73/59/16/584735916.db2.gz DDPHXIQTRQZSEH-GFCCVEGCSA-N 0 3 248.395 3.054 20 0 BGADHN C(N[C@H]1CCC12CCC2)c1nc2c(s1)CCC2 ZINC000903190799 584736064 /nfs/dbraw/zinc/73/60/64/584736064.db2.gz DDPHXIQTRQZSEH-LBPRGKRZSA-N 0 3 248.395 3.054 20 0 BGADHN c1ccc([C@@H](N[C@@H]2C[C@H]2C2CCC2)C2CC2)nc1 ZINC000903191724 584733989 /nfs/dbraw/zinc/73/39/89/584733989.db2.gz DZDUOARGRAYCNT-IMJJTQAJSA-N 0 3 242.366 3.311 20 0 BGADHN c1ccc([C@H](N[C@@H]2C[C@H]2C2CCC2)C2CC2)nc1 ZINC000903191725 584733911 /nfs/dbraw/zinc/73/39/11/584733911.db2.gz DZDUOARGRAYCNT-NUEKZKHPSA-N 0 3 242.366 3.311 20 0 BGADHN CO[C@H]1CCC[C@H]1NC1(c2ccccc2C)CC1 ZINC000903192868 584733901 /nfs/dbraw/zinc/73/39/01/584733901.db2.gz QUGVTQIVPUZHTD-CABCVRRESA-N 0 3 245.366 3.141 20 0 BGADHN CO[C@H]1CCC[C@@H]1NC1(c2ccccc2C)CC1 ZINC000903192870 584734126 /nfs/dbraw/zinc/73/41/26/584734126.db2.gz QUGVTQIVPUZHTD-GJZGRUSLSA-N 0 3 245.366 3.141 20 0 BGADHN CO[C@@H]1CCC[C@H]1NC1(c2ccccc2C)CC1 ZINC000903192871 584733997 /nfs/dbraw/zinc/73/39/97/584733997.db2.gz QUGVTQIVPUZHTD-HUUCEWRRSA-N 0 3 245.366 3.141 20 0 BGADHN CO[C@@H]1CCC[C@@H]1NC1(c2ccccc2C)CC1 ZINC000903192872 584733959 /nfs/dbraw/zinc/73/39/59/584733959.db2.gz QUGVTQIVPUZHTD-LSDHHAIUSA-N 0 3 245.366 3.141 20 0 BGADHN CCC(C)(C)[C@@H](C)NCc1cc(N(C)C)ccn1 ZINC000903197097 584734957 /nfs/dbraw/zinc/73/49/57/584734957.db2.gz KAHCXMZAYORAJY-GFCCVEGCSA-N 0 3 249.402 3.062 20 0 BGADHN CCC(C)(C)[C@H](C)NCc1cc(N(C)C)ccn1 ZINC000903197098 584735020 /nfs/dbraw/zinc/73/50/20/584735020.db2.gz KAHCXMZAYORAJY-LBPRGKRZSA-N 0 3 249.402 3.062 20 0 BGADHN C[C@H](CC(C)(C)C)NCc1cc(N(C)C)ccn1 ZINC000903198234 584734868 /nfs/dbraw/zinc/73/48/68/584734868.db2.gz HULKYHPIYICQOQ-GFCCVEGCSA-N 0 3 249.402 3.062 20 0 BGADHN C[C@@H](CC(C)(C)C)NCc1cc(N(C)C)ccn1 ZINC000903198235 584734649 /nfs/dbraw/zinc/73/46/49/584734649.db2.gz HULKYHPIYICQOQ-LBPRGKRZSA-N 0 3 249.402 3.062 20 0 BGADHN CC(C)(F)CCN[C@@H](c1ccccn1)C1CC1 ZINC000903200236 584735581 /nfs/dbraw/zinc/73/55/81/584735581.db2.gz MWGPHLJSVGCJJZ-CYBMUJFWSA-N 0 3 236.334 3.261 20 0 BGADHN CC(C)(F)CCN[C@H](c1ccccn1)C1CC1 ZINC000903200237 584735281 /nfs/dbraw/zinc/73/52/81/584735281.db2.gz MWGPHLJSVGCJJZ-ZDUSSCGKSA-N 0 3 236.334 3.261 20 0 BGADHN C[C@@H](N[C@H]1C=CCC1)c1cnn(CC2CCC2)c1 ZINC000903200769 584735491 /nfs/dbraw/zinc/73/54/91/584735491.db2.gz UCVZZPXGXSVTIE-DOMZBBRYSA-N 0 3 245.370 3.052 20 0 BGADHN C[C@@H](N[C@@H]1C=CCC1)c1cnn(CC2CCC2)c1 ZINC000903200770 584735329 /nfs/dbraw/zinc/73/53/29/584735329.db2.gz UCVZZPXGXSVTIE-IUODEOHRSA-N 0 3 245.370 3.052 20 0 BGADHN C[C@H](N[C@@H]1C=CCC1)c1cnn(CC2CCC2)c1 ZINC000903200771 584735664 /nfs/dbraw/zinc/73/56/64/584735664.db2.gz UCVZZPXGXSVTIE-SWLSCSKDSA-N 0 3 245.370 3.052 20 0 BGADHN C[C@H](N[C@H]1C=CCC1)c1cnn(CC2CCC2)c1 ZINC000903200772 584735397 /nfs/dbraw/zinc/73/53/97/584735397.db2.gz UCVZZPXGXSVTIE-WFASDCNBSA-N 0 3 245.370 3.052 20 0 BGADHN CS[C@H]1C[C@H](N[C@H](c2ccccn2)C2CC2)C1 ZINC000903210973 584736881 /nfs/dbraw/zinc/73/68/81/584736881.db2.gz CESRMFDKMQRVAG-OBJOEFQTSA-N 0 3 248.395 3.016 20 0 BGADHN CS[C@H]1C[C@H](N[C@@H](c2ccccn2)C2CC2)C1 ZINC000903210974 584736942 /nfs/dbraw/zinc/73/69/42/584736942.db2.gz CESRMFDKMQRVAG-YRGRVCCFSA-N 0 3 248.395 3.016 20 0 BGADHN C[C@@H]1C[C@H]1[C@@H]1C[C@H]1N[C@H](c1ccccn1)C1CC1 ZINC000903218306 584737743 /nfs/dbraw/zinc/73/77/43/584737743.db2.gz AJECQBTXUNIWRG-BCEUIYSSSA-N 0 3 242.366 3.167 20 0 BGADHN C[C@@H]1C[C@H]1[C@@H]1C[C@H]1N[C@@H](c1ccccn1)C1CC1 ZINC000903218307 584737716 /nfs/dbraw/zinc/73/77/16/584737716.db2.gz AJECQBTXUNIWRG-MIGXYKPQSA-N 0 3 242.366 3.167 20 0 BGADHN COc1ccnc([C@@H](C)NCC(C)(C)C2CC2)c1 ZINC000903239247 584738307 /nfs/dbraw/zinc/73/83/07/584738307.db2.gz BYVPKWXZBKJNPI-LLVKDONJSA-N 0 3 248.370 3.177 20 0 BGADHN COc1ccnc([C@H](C)NCC(C)(C)C2CC2)c1 ZINC000903239248 584738216 /nfs/dbraw/zinc/73/82/16/584738216.db2.gz BYVPKWXZBKJNPI-NSHDSACASA-N 0 3 248.370 3.177 20 0 BGADHN C[C@@H](NCC(C)(C)C1CC1)c1ccns1 ZINC000903240304 584738145 /nfs/dbraw/zinc/73/81/45/584738145.db2.gz QRNLOSHXXYIIHR-SECBINFHSA-N 0 3 224.373 3.230 20 0 BGADHN C[C@H](NCC(C)(C)C1CC1)c1ccns1 ZINC000903240305 584738115 /nfs/dbraw/zinc/73/81/15/584738115.db2.gz QRNLOSHXXYIIHR-VIFPVBQESA-N 0 3 224.373 3.230 20 0 BGADHN Cc1nc2c(o1)CCC[C@H]2NCC(C)(C)C1CC1 ZINC000903240470 584738207 /nfs/dbraw/zinc/73/82/07/584738207.db2.gz SFIWQEPISNNMGO-GFCCVEGCSA-N 0 3 248.370 3.386 20 0 BGADHN Cc1nc2c(o1)CCC[C@@H]2NCC(C)(C)C1CC1 ZINC000903240471 584738357 /nfs/dbraw/zinc/73/83/57/584738357.db2.gz SFIWQEPISNNMGO-LBPRGKRZSA-N 0 3 248.370 3.386 20 0 BGADHN Cc1noc(C)c1[C@@H](C)NCC(C)(C)C1CC1 ZINC000903240701 584738148 /nfs/dbraw/zinc/73/81/48/584738148.db2.gz XJGDVDRWNWJQQN-SECBINFHSA-N 0 3 236.359 3.378 20 0 BGADHN Cc1noc(C)c1[C@H](C)NCC(C)(C)C1CC1 ZINC000903240702 584738226 /nfs/dbraw/zinc/73/82/26/584738226.db2.gz XJGDVDRWNWJQQN-VIFPVBQESA-N 0 3 236.359 3.378 20 0 BGADHN Cc1cc([C@H](C)NCC(C)(C)C2CC2)no1 ZINC000903243460 584737984 /nfs/dbraw/zinc/73/79/84/584737984.db2.gz DNAZGEIPPTZRNE-JTQLQIEISA-N 0 3 222.332 3.070 20 0 BGADHN Cc1cc([C@@H](C)NCC(C)(C)C2CC2)no1 ZINC000903243461 584738006 /nfs/dbraw/zinc/73/80/06/584738006.db2.gz DNAZGEIPPTZRNE-SNVBAGLBSA-N 0 3 222.332 3.070 20 0 BGADHN C[C@@H](NCC(C)(C)C1CC1)c1nccs1 ZINC000903243835 584738549 /nfs/dbraw/zinc/73/85/49/584738549.db2.gz JGZLHFZGTMDSMD-SECBINFHSA-N 0 3 224.373 3.230 20 0 BGADHN C[C@H](NCC(C)(C)C1CC1)c1nccs1 ZINC000903243837 584738546 /nfs/dbraw/zinc/73/85/46/584738546.db2.gz JGZLHFZGTMDSMD-VIFPVBQESA-N 0 3 224.373 3.230 20 0 BGADHN C[C@@H](NCC(C)(C)C1CC1)c1cscn1 ZINC000903244241 584738623 /nfs/dbraw/zinc/73/86/23/584738623.db2.gz PJAPFTVBYCYIMU-SECBINFHSA-N 0 3 224.373 3.230 20 0 BGADHN C[C@H](NCC(C)(C)C1CC1)c1cscn1 ZINC000903244242 584738578 /nfs/dbraw/zinc/73/85/78/584738578.db2.gz PJAPFTVBYCYIMU-VIFPVBQESA-N 0 3 224.373 3.230 20 0 BGADHN C[C@H](NCC(C)(C)C1CC1)c1ccco1 ZINC000903244255 584738485 /nfs/dbraw/zinc/73/84/85/584738485.db2.gz PVSAHMLEZSKKDU-JTQLQIEISA-N 0 3 207.317 3.366 20 0 BGADHN C[C@@H](NCC(C)(C)C1CC1)c1ccco1 ZINC000903244256 584738473 /nfs/dbraw/zinc/73/84/73/584738473.db2.gz PVSAHMLEZSKKDU-SNVBAGLBSA-N 0 3 207.317 3.366 20 0 BGADHN C[C@H](NCC(C)(C)C1CC1)c1ccc(F)cn1 ZINC000903244521 584738604 /nfs/dbraw/zinc/73/86/04/584738604.db2.gz XHQMAKOLFUWWPV-JTQLQIEISA-N 0 3 236.334 3.308 20 0 BGADHN C[C@@H](NCC(C)(C)C1CC1)c1ccc(F)cn1 ZINC000903244522 584738542 /nfs/dbraw/zinc/73/85/42/584738542.db2.gz XHQMAKOLFUWWPV-SNVBAGLBSA-N 0 3 236.334 3.308 20 0 BGADHN CC[C@@H](C)NCc1cccc(Cl)c1OC ZINC000903249957 584738794 /nfs/dbraw/zinc/73/87/94/584738794.db2.gz JFZFQOXEKPMWJM-SECBINFHSA-N 0 3 227.735 3.237 20 0 BGADHN CC[C@H](C)NCc1cccc(Cl)c1OC ZINC000903249958 584738863 /nfs/dbraw/zinc/73/88/63/584738863.db2.gz JFZFQOXEKPMWJM-VIFPVBQESA-N 0 3 227.735 3.237 20 0 BGADHN C[C@@H]1C[C@H]1[C@@H]1C[C@H]1N[C@H]1CCCc2scnc21 ZINC000903252202 584738759 /nfs/dbraw/zinc/73/87/59/584738759.db2.gz BSCXNOXFLAOTIA-LDMBFOFVSA-N 0 3 248.395 3.155 20 0 BGADHN C[C@@H]1C[C@H]1[C@@H]1C[C@H]1N[C@@H]1CCCc2scnc21 ZINC000903252204 584738804 /nfs/dbraw/zinc/73/88/04/584738804.db2.gz BSCXNOXFLAOTIA-RMPHRYRLSA-N 0 3 248.395 3.155 20 0 BGADHN CCc1noc(C)c1[C@H](C)N[C@@H]1C[C@H]1[C@@H]1C[C@H]1C ZINC000903252518 584739300 /nfs/dbraw/zinc/73/93/00/584739300.db2.gz DQOUDGOOHSVDSC-HOVHJQPKSA-N 0 3 248.370 3.241 20 0 BGADHN CCc1noc(C)c1[C@@H](C)N[C@@H]1C[C@H]1[C@@H]1C[C@H]1C ZINC000903252523 584739255 /nfs/dbraw/zinc/73/92/55/584739255.db2.gz DQOUDGOOHSVDSC-KCLTYARCSA-N 0 3 248.370 3.241 20 0 BGADHN Cc1ncc([C@@H](C)N[C@@H]2C[C@H]2[C@@H]2C[C@H]2C)s1 ZINC000903252594 584739068 /nfs/dbraw/zinc/73/90/68/584739068.db2.gz FFZZDEDHRRZYNY-OWRUSBMPSA-N 0 3 236.384 3.147 20 0 BGADHN Cc1ncc([C@H](C)N[C@@H]2C[C@H]2[C@@H]2C[C@H]2C)s1 ZINC000903252596 584739178 /nfs/dbraw/zinc/73/91/78/584739178.db2.gz FFZZDEDHRRZYNY-QRIQYOGLSA-N 0 3 236.384 3.147 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H]2C[C@H]2[C@@H]2C[C@H]2C)o1 ZINC000903253114 584738956 /nfs/dbraw/zinc/73/89/56/584738956.db2.gz JIWPVIWHQQMHJW-YBPUZQHNSA-N 0 3 219.328 3.283 20 0 BGADHN Cc1ccc([C@@H](C)N[C@@H]2C[C@H]2[C@@H]2C[C@H]2C)o1 ZINC000903253115 584739212 /nfs/dbraw/zinc/73/92/12/584739212.db2.gz JIWPVIWHQQMHJW-ZGYLKHSLSA-N 0 3 219.328 3.283 20 0 BGADHN C[C@@H]([NH2+][C@@H]1C[C@H]1[C@@H]1C[C@H]1C)c1cccc([O-])c1F ZINC000903253308 584739147 /nfs/dbraw/zinc/73/91/47/584739147.db2.gz JGNFOJZPUBVVCI-AOBWVBKOSA-N 0 3 249.329 3.226 20 0 BGADHN C[C@H]([NH2+][C@@H]1C[C@H]1[C@@H]1C[C@H]1C)c1cccc([O-])c1F ZINC000903253310 584739085 /nfs/dbraw/zinc/73/90/85/584739085.db2.gz JGNFOJZPUBVVCI-XUEURGHRSA-N 0 3 249.329 3.226 20 0 BGADHN CCc1cccnc1[C@H](C)N[C@@H]1C[C@H]1[C@@H]1C[C@H]1C ZINC000903253945 584739472 /nfs/dbraw/zinc/73/94/72/584739472.db2.gz MYSMGBNBQFOZMY-QFCKPIOYSA-N 0 3 244.382 3.339 20 0 BGADHN CCc1cccnc1[C@@H](C)N[C@@H]1C[C@H]1[C@@H]1C[C@H]1C ZINC000903253946 584739459 /nfs/dbraw/zinc/73/94/59/584739459.db2.gz MYSMGBNBQFOZMY-SOMZYNEFSA-N 0 3 244.382 3.339 20 0 BGADHN C[C@@H]1C[C@H]1[C@@H]1C[C@H]1N[C@H]1CCCc2cccnc21 ZINC000903254000 584739580 /nfs/dbraw/zinc/73/95/80/584739580.db2.gz OBOXSTBKVIDUIG-JSFFLRCESA-N 0 3 242.366 3.093 20 0 BGADHN C[C@@H]1C[C@H]1[C@@H]1C[C@H]1N[C@@H]1CCCc2cccnc21 ZINC000903254002 584739624 /nfs/dbraw/zinc/73/96/24/584739624.db2.gz OBOXSTBKVIDUIG-TVKJYDDYSA-N 0 3 242.366 3.093 20 0 BGADHN CC(C)[C@@H](N[C@@H]1C[C@H]1[C@@H]1C[C@H]1C)c1ccccn1 ZINC000903254625 584739482 /nfs/dbraw/zinc/73/94/82/584739482.db2.gz VYAKJYBFNHNCEG-CNRIWFPOSA-N 0 3 244.382 3.413 20 0 BGADHN CC(C)[C@H](N[C@@H]1C[C@H]1[C@@H]1C[C@H]1C)c1ccccn1 ZINC000903254626 584739617 /nfs/dbraw/zinc/73/96/17/584739617.db2.gz VYAKJYBFNHNCEG-QUEVPRLRSA-N 0 3 244.382 3.413 20 0 BGADHN CC(C)n1cc([C@H](C)N[C@@H]2C[C@H]2[C@@H]2C[C@H]2C)cn1 ZINC000903254749 584739679 /nfs/dbraw/zinc/73/96/79/584739679.db2.gz RYWOVVSQMDFRFP-QFCKPIOYSA-N 0 3 247.386 3.159 20 0 BGADHN CC(C)n1cc([C@@H](C)N[C@@H]2C[C@H]2[C@@H]2C[C@H]2C)cn1 ZINC000903254750 584739374 /nfs/dbraw/zinc/73/93/74/584739374.db2.gz RYWOVVSQMDFRFP-SOMZYNEFSA-N 0 3 247.386 3.159 20 0 BGADHN Cc1csc([C@H](C)N[C@@H]2C[C@H]2[C@@H]2C[C@H]2C)n1 ZINC000903255460 584739860 /nfs/dbraw/zinc/73/98/60/584739860.db2.gz XRPUDSANICODNO-BRANHHFCSA-N 0 3 236.384 3.147 20 0 BGADHN Cc1csc([C@@H](C)N[C@@H]2C[C@H]2[C@@H]2C[C@H]2C)n1 ZINC000903255461 584740121 /nfs/dbraw/zinc/74/01/21/584740121.db2.gz XRPUDSANICODNO-BVNKDQMESA-N 0 3 236.384 3.147 20 0 BGADHN Cc1cc([C@@H](C)N[C@@H]2CCO[C@H]2C2CC2)oc1C ZINC000903259963 584740386 /nfs/dbraw/zinc/74/03/86/584740386.db2.gz JGPWOTHPIMLQBT-YVLXSGLVSA-N 0 3 249.354 3.115 20 0 BGADHN C[C@@H](N[C@@H]1CCO[C@H]1C1CC1)c1cccc(F)c1 ZINC000903263415 584740612 /nfs/dbraw/zinc/74/06/12/584740612.db2.gz GUVJFABGAIGLOX-KMUNFCNLSA-N 0 3 249.329 3.044 20 0 BGADHN Cc1cc([C@@H](C)N[C@@H]2CCO[C@H]2C2CC2)c(C)o1 ZINC000903263677 584740567 /nfs/dbraw/zinc/74/05/67/584740567.db2.gz BWKUBOJPGAXHKA-KMUNFCNLSA-N 0 3 249.354 3.115 20 0 BGADHN C[C@@H](N[C@@H]1CCO[C@H]1C1CC1)c1ccc(F)cc1 ZINC000903264973 584740558 /nfs/dbraw/zinc/74/05/58/584740558.db2.gz TZTCVSLVXDRUJA-KMUNFCNLSA-N 0 3 249.329 3.044 20 0 BGADHN C[C@@H](N[C@@H]1CCO[C@H]1C1CC1)c1ccccc1F ZINC000903265394 584740579 /nfs/dbraw/zinc/74/05/79/584740579.db2.gz YPLDGMAZROADFV-KMUNFCNLSA-N 0 3 249.329 3.044 20 0 BGADHN CCc1ccc([C@@H](C)N[C@@H]2CCO[C@H]2C2CC2)o1 ZINC000903266186 584741261 /nfs/dbraw/zinc/74/12/61/584741261.db2.gz UTIBRNRBRSTZJN-YVLXSGLVSA-N 0 3 249.354 3.060 20 0 BGADHN C[C@H](N[C@@H]1CCOC12CCCCC2)c1ccco1 ZINC000903274633 584741961 /nfs/dbraw/zinc/74/19/61/584741961.db2.gz PPCJZZWEWIZDKI-GXTWGEPZSA-N 0 3 249.354 3.422 20 0 BGADHN C[C@H](N[C@H]1CCOC12CCCCC2)c1ccco1 ZINC000903274634 584742062 /nfs/dbraw/zinc/74/20/62/584742062.db2.gz PPCJZZWEWIZDKI-JSGCOSHPSA-N 0 3 249.354 3.422 20 0 BGADHN C[C@@H](N[C@H]1CCOC12CCCCC2)c1ccco1 ZINC000903274635 584742240 /nfs/dbraw/zinc/74/22/40/584742240.db2.gz PPCJZZWEWIZDKI-OCCSQVGLSA-N 0 3 249.354 3.422 20 0 BGADHN C[C@@H](N[C@@H]1CCOC12CCCCC2)c1ccco1 ZINC000903274636 584741979 /nfs/dbraw/zinc/74/19/79/584741979.db2.gz PPCJZZWEWIZDKI-TZMCWYRMSA-N 0 3 249.354 3.422 20 0 BGADHN C[C@H](N[C@@H]1CCOC12CCCCC2)c1ccoc1 ZINC000903274668 584742055 /nfs/dbraw/zinc/74/20/55/584742055.db2.gz QCPLHBZUELYCJJ-GXTWGEPZSA-N 0 3 249.354 3.422 20 0 BGADHN C[C@H](N[C@H]1CCOC12CCCCC2)c1ccoc1 ZINC000903274669 584742069 /nfs/dbraw/zinc/74/20/69/584742069.db2.gz QCPLHBZUELYCJJ-JSGCOSHPSA-N 0 3 249.354 3.422 20 0 BGADHN C[C@@H](N[C@H]1CCOC12CCCCC2)c1ccoc1 ZINC000903274670 584742018 /nfs/dbraw/zinc/74/20/18/584742018.db2.gz QCPLHBZUELYCJJ-OCCSQVGLSA-N 0 3 249.354 3.422 20 0 BGADHN C[C@@H](N[C@@H]1CCOC12CCCCC2)c1ccoc1 ZINC000903274671 584742083 /nfs/dbraw/zinc/74/20/83/584742083.db2.gz QCPLHBZUELYCJJ-TZMCWYRMSA-N 0 3 249.354 3.422 20 0 BGADHN CC[C@@H](N[C@@H]1CCCC2(CC2)C1)c1nccn1C ZINC000903279349 584742503 /nfs/dbraw/zinc/74/25/03/584742503.db2.gz MYRGJYNHBGJWGF-CHWSQXEVSA-N 0 3 247.386 3.184 20 0 BGADHN CC[C@H](N[C@@H]1CCCC2(CC2)C1)c1nccn1C ZINC000903279350 584742512 /nfs/dbraw/zinc/74/25/12/584742512.db2.gz MYRGJYNHBGJWGF-OLZOCXBDSA-N 0 3 247.386 3.184 20 0 BGADHN CC[C@@H](N[C@H]1CCCC2(CC2)C1)c1nccn1C ZINC000903279351 584742428 /nfs/dbraw/zinc/74/24/28/584742428.db2.gz MYRGJYNHBGJWGF-QWHCGFSZSA-N 0 3 247.386 3.184 20 0 BGADHN CC[C@H](N[C@H]1CCCC2(CC2)C1)c1nccn1C ZINC000903279352 584742389 /nfs/dbraw/zinc/74/23/89/584742389.db2.gz MYRGJYNHBGJWGF-STQMWFEESA-N 0 3 247.386 3.184 20 0 BGADHN Cc1cc([C@@H](C)N[C@@H]2CCCC3(CC3)C2)nn1C ZINC000903281040 584742838 /nfs/dbraw/zinc/74/28/38/584742838.db2.gz YDFHZLYBVKYNIQ-CHWSQXEVSA-N 0 3 247.386 3.102 20 0 BGADHN Cc1cc([C@@H](C)N[C@H]2CCCC3(CC3)C2)nn1C ZINC000903281041 584742932 /nfs/dbraw/zinc/74/29/32/584742932.db2.gz YDFHZLYBVKYNIQ-OLZOCXBDSA-N 0 3 247.386 3.102 20 0 BGADHN Cc1cc([C@H](C)N[C@@H]2CCCC3(CC3)C2)nn1C ZINC000903281042 584742671 /nfs/dbraw/zinc/74/26/71/584742671.db2.gz YDFHZLYBVKYNIQ-QWHCGFSZSA-N 0 3 247.386 3.102 20 0 BGADHN Cc1cc([C@H](C)N[C@H]2CCCC3(CC3)C2)nn1C ZINC000903281043 584742887 /nfs/dbraw/zinc/74/28/87/584742887.db2.gz YDFHZLYBVKYNIQ-STQMWFEESA-N 0 3 247.386 3.102 20 0 BGADHN c1cn2c(n1)[C@H](N[C@@H]1CCCC3(CC3)C1)CCC2 ZINC000903281117 584742817 /nfs/dbraw/zinc/74/28/17/584742817.db2.gz YUONGURKTOGKQF-CHWSQXEVSA-N 0 3 245.370 3.030 20 0 BGADHN c1cn2c(n1)[C@@H](N[C@@H]1CCCC3(CC3)C1)CCC2 ZINC000903281120 584742804 /nfs/dbraw/zinc/74/28/04/584742804.db2.gz YUONGURKTOGKQF-OLZOCXBDSA-N 0 3 245.370 3.030 20 0 BGADHN c1cn2c(n1)[C@H](N[C@H]1CCCC3(CC3)C1)CCC2 ZINC000903281123 584742758 /nfs/dbraw/zinc/74/27/58/584742758.db2.gz YUONGURKTOGKQF-QWHCGFSZSA-N 0 3 245.370 3.030 20 0 BGADHN c1cn2c(n1)[C@@H](N[C@H]1CCCC3(CC3)C1)CCC2 ZINC000903281126 584742980 /nfs/dbraw/zinc/74/29/80/584742980.db2.gz YUONGURKTOGKQF-STQMWFEESA-N 0 3 245.370 3.030 20 0 BGADHN CCCCC1(N[C@H](C)c2cnc(C)nc2C)CC1 ZINC000903308664 584747765 /nfs/dbraw/zinc/74/77/65/584747765.db2.gz AWMHXJMUKLZLKB-GFCCVEGCSA-N 0 3 247.386 3.467 20 0 BGADHN CCCCC1(N[C@@H](C)c2cnc(C)nc2C)CC1 ZINC000903308665 584747862 /nfs/dbraw/zinc/74/78/62/584747862.db2.gz AWMHXJMUKLZLKB-LBPRGKRZSA-N 0 3 247.386 3.467 20 0 BGADHN CCCCC1(N[C@H](C)c2cc(C)nn2C)CC1 ZINC000903309124 584747873 /nfs/dbraw/zinc/74/78/73/584747873.db2.gz DGVUCSJNRBLHDN-GFCCVEGCSA-N 0 3 235.375 3.102 20 0 BGADHN CCCCC1(N[C@@H](C)c2cc(C)nn2C)CC1 ZINC000903309125 584747587 /nfs/dbraw/zinc/74/75/87/584747587.db2.gz DGVUCSJNRBLHDN-LBPRGKRZSA-N 0 3 235.375 3.102 20 0 BGADHN CCCCC1(N[C@H](C)c2cn(C)nc2C)CC1 ZINC000903311065 584748205 /nfs/dbraw/zinc/74/82/05/584748205.db2.gz MMUKEURIIYYBRW-LLVKDONJSA-N 0 3 235.375 3.102 20 0 BGADHN CCCCC1(N[C@@H](C)c2cn(C)nc2C)CC1 ZINC000903311066 584748197 /nfs/dbraw/zinc/74/81/97/584748197.db2.gz MMUKEURIIYYBRW-NSHDSACASA-N 0 3 235.375 3.102 20 0 BGADHN CCCCC1(N[C@H](C)c2nccnc2C)CC1 ZINC000903311511 584747997 /nfs/dbraw/zinc/74/79/97/584747997.db2.gz PGAXOGMYWOUILS-GFCCVEGCSA-N 0 3 233.359 3.158 20 0 BGADHN CCCCC1(N[C@@H](C)c2nccnc2C)CC1 ZINC000903311512 584748331 /nfs/dbraw/zinc/74/83/31/584748331.db2.gz PGAXOGMYWOUILS-LBPRGKRZSA-N 0 3 233.359 3.158 20 0 BGADHN CCCCC1(N[C@H](C)c2cc(C)n(C)n2)CC1 ZINC000903312616 584748114 /nfs/dbraw/zinc/74/81/14/584748114.db2.gz XFKPCHWHNVVHQO-GFCCVEGCSA-N 0 3 235.375 3.102 20 0 BGADHN CCCCC1(N[C@@H](C)c2cc(C)n(C)n2)CC1 ZINC000903312617 584748384 /nfs/dbraw/zinc/74/83/84/584748384.db2.gz XFKPCHWHNVVHQO-LBPRGKRZSA-N 0 3 235.375 3.102 20 0 BGADHN CCCCC1(N[C@H](C)c2cnn(CC)c2)CC1 ZINC000903312707 584748073 /nfs/dbraw/zinc/74/80/73/584748073.db2.gz XSOMLBXAIPQTHG-GFCCVEGCSA-N 0 3 235.375 3.276 20 0 BGADHN CCCCC1(N[C@@H](C)c2cnn(CC)c2)CC1 ZINC000903312708 584748117 /nfs/dbraw/zinc/74/81/17/584748117.db2.gz XSOMLBXAIPQTHG-LBPRGKRZSA-N 0 3 235.375 3.276 20 0 BGADHN CCCCC1(N[C@@H](C)c2c[nH]nc2C)CC1 ZINC000903312818 584748485 /nfs/dbraw/zinc/74/84/85/584748485.db2.gz YVYTUMOLQCJKFU-JTQLQIEISA-N 0 3 221.348 3.092 20 0 BGADHN CCCCC1(N[C@H](C)c2c[nH]nc2C)CC1 ZINC000903312819 584748645 /nfs/dbraw/zinc/74/86/45/584748645.db2.gz YVYTUMOLQCJKFU-SNVBAGLBSA-N 0 3 221.348 3.092 20 0 BGADHN CCCCC1(N[C@H]2C[C@@H](C)n3ccnc32)CC1 ZINC000903312997 584748706 /nfs/dbraw/zinc/74/87/06/584748706.db2.gz FIAOESXWOPNCAS-NEPJUHHUSA-N 0 3 233.359 3.201 20 0 BGADHN CCCCC1(N[C@@H]2C[C@H](C)n3ccnc32)CC1 ZINC000903312998 584748785 /nfs/dbraw/zinc/74/87/85/584748785.db2.gz FIAOESXWOPNCAS-NWDGAFQWSA-N 0 3 233.359 3.201 20 0 BGADHN CCCCC1(N[C@H]2C[C@H](C)n3ccnc32)CC1 ZINC000903312999 584748606 /nfs/dbraw/zinc/74/86/06/584748606.db2.gz FIAOESXWOPNCAS-RYUDHWBXSA-N 0 3 233.359 3.201 20 0 BGADHN CCCCC1(N[C@@H]2C[C@@H](C)n3ccnc32)CC1 ZINC000903313000 584748629 /nfs/dbraw/zinc/74/86/29/584748629.db2.gz FIAOESXWOPNCAS-VXGBXAGGSA-N 0 3 233.359 3.201 20 0 BGADHN CCCCC1(N[C@H](C)c2cncnc2C)CC1 ZINC000903313146 584748691 /nfs/dbraw/zinc/74/86/91/584748691.db2.gz JDLJPJGUPGQWBX-GFCCVEGCSA-N 0 3 233.359 3.158 20 0 BGADHN CCCCC1(N[C@@H](C)c2cncnc2C)CC1 ZINC000903313147 584748450 /nfs/dbraw/zinc/74/84/50/584748450.db2.gz JDLJPJGUPGQWBX-LBPRGKRZSA-N 0 3 233.359 3.158 20 0 BGADHN CCCCC1(N[C@@H]2CCCc3c[nH]nc32)CC1 ZINC000903313301 584748493 /nfs/dbraw/zinc/74/84/93/584748493.db2.gz NANVPJQQFXDTSB-GFCCVEGCSA-N 0 3 233.359 3.100 20 0 BGADHN CCCCC1(N[C@H]2CCCc3c[nH]nc32)CC1 ZINC000903313302 584748768 /nfs/dbraw/zinc/74/87/68/584748768.db2.gz NANVPJQQFXDTSB-LBPRGKRZSA-N 0 3 233.359 3.100 20 0 BGADHN CCCCC1(N[C@@H](C)c2cc(OC)no2)CC1 ZINC000903313355 584748652 /nfs/dbraw/zinc/74/86/52/584748652.db2.gz OBIOCCVLKNCMJF-JTQLQIEISA-N 0 3 238.331 3.057 20 0 BGADHN CCCCC1(N[C@H](C)c2cc(OC)no2)CC1 ZINC000903313356 584748695 /nfs/dbraw/zinc/74/86/95/584748695.db2.gz OBIOCCVLKNCMJF-SNVBAGLBSA-N 0 3 238.331 3.057 20 0 BGADHN CCCCC1(N[C@@H]2CCCn3nccc32)CC1 ZINC000903313519 584748720 /nfs/dbraw/zinc/74/87/20/584748720.db2.gz SBCJSPVRCHSVSU-GFCCVEGCSA-N 0 3 233.359 3.030 20 0 BGADHN CCCCC1(N[C@H]2CCCn3nccc32)CC1 ZINC000903313520 584748667 /nfs/dbraw/zinc/74/86/67/584748667.db2.gz SBCJSPVRCHSVSU-LBPRGKRZSA-N 0 3 233.359 3.030 20 0 BGADHN CCCCC1(N[C@H](C)c2nccn2CC)CC1 ZINC000903313580 584748760 /nfs/dbraw/zinc/74/87/60/584748760.db2.gz UDQGRCQYACCPGL-GFCCVEGCSA-N 0 3 235.375 3.276 20 0 BGADHN CCCCC1(N[C@@H](C)c2nccn2CC)CC1 ZINC000903313581 584748750 /nfs/dbraw/zinc/74/87/50/584748750.db2.gz UDQGRCQYACCPGL-LBPRGKRZSA-N 0 3 235.375 3.276 20 0 BGADHN CCCCC1(N[C@H](C)c2cc(OC)ccn2)CC1 ZINC000903313616 584748464 /nfs/dbraw/zinc/74/84/64/584748464.db2.gz UWUAOIGPQMYBNI-GFCCVEGCSA-N 0 3 248.370 3.464 20 0 BGADHN CCCCC1(N[C@@H](C)c2cc(OC)ccn2)CC1 ZINC000903313617 584748675 /nfs/dbraw/zinc/74/86/75/584748675.db2.gz UWUAOIGPQMYBNI-LBPRGKRZSA-N 0 3 248.370 3.464 20 0 BGADHN CCCCC1(N[C@@H]2CCc3cccnc32)CC1 ZINC000903313629 584748804 /nfs/dbraw/zinc/74/88/04/584748804.db2.gz VELNWNDFBRAXTE-CYBMUJFWSA-N 0 3 230.355 3.381 20 0 BGADHN CCCCC1(N[C@H]2CCc3cccnc32)CC1 ZINC000903313630 584748609 /nfs/dbraw/zinc/74/86/09/584748609.db2.gz VELNWNDFBRAXTE-ZDUSSCGKSA-N 0 3 230.355 3.381 20 0 BGADHN CCCCC1(N[C@H](C)c2cc3n(n2)CCC3)CC1 ZINC000903313687 584748553 /nfs/dbraw/zinc/74/85/53/584748553.db2.gz WTTFMSBDFXHSST-GFCCVEGCSA-N 0 3 247.386 3.203 20 0 BGADHN CCCCC1(N[C@@H](C)c2cc3n(n2)CCC3)CC1 ZINC000903313688 584748627 /nfs/dbraw/zinc/74/86/27/584748627.db2.gz WTTFMSBDFXHSST-LBPRGKRZSA-N 0 3 247.386 3.203 20 0 BGADHN CCCCC1(N[C@@H]2CCCn3ccnc32)CC1 ZINC000903313721 584748602 /nfs/dbraw/zinc/74/86/02/584748602.db2.gz XOFPVFCNEDUXRU-GFCCVEGCSA-N 0 3 233.359 3.030 20 0 BGADHN CCCCC1(N[C@H]2CCCn3ccnc32)CC1 ZINC000903313722 584748625 /nfs/dbraw/zinc/74/86/25/584748625.db2.gz XOFPVFCNEDUXRU-LBPRGKRZSA-N 0 3 233.359 3.030 20 0 BGADHN CCc1cccnc1[C@H](C)N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC000903314552 584748437 /nfs/dbraw/zinc/74/84/37/584748437.db2.gz ANUSQFCQQORDRJ-CYUUQNCZSA-N 0 3 244.382 3.483 20 0 BGADHN CCc1cccnc1[C@H](C)N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC000903314553 584748664 /nfs/dbraw/zinc/74/86/64/584748664.db2.gz ANUSQFCQQORDRJ-PMOUVXMZSA-N 0 3 244.382 3.483 20 0 BGADHN CCc1cccnc1[C@H](C)N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000903314554 584748560 /nfs/dbraw/zinc/74/85/60/584748560.db2.gz ANUSQFCQQORDRJ-SPWCGHHHSA-N 0 3 244.382 3.483 20 0 BGADHN CCc1cccnc1[C@H](C)N[C@@H]1C[C@H]2CCC[C@H]21 ZINC000903314555 584748618 /nfs/dbraw/zinc/74/86/18/584748618.db2.gz ANUSQFCQQORDRJ-ZGKBOVNRSA-N 0 3 244.382 3.483 20 0 BGADHN CCc1noc(C)c1[C@H](C)N[C@@H]1C[C@H]2CCC[C@H]21 ZINC000903315337 584749222 /nfs/dbraw/zinc/74/92/22/584749222.db2.gz FBEQSPSBSVFWEK-LEJCRSTHSA-N 0 3 248.370 3.385 20 0 BGADHN CCc1noc(C)c1[C@H](C)N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000903315338 584748946 /nfs/dbraw/zinc/74/89/46/584748946.db2.gz FBEQSPSBSVFWEK-PQFRYHKHSA-N 0 3 248.370 3.385 20 0 BGADHN CCc1noc(C)c1[C@H](C)N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC000903315339 584748930 /nfs/dbraw/zinc/74/89/30/584748930.db2.gz FBEQSPSBSVFWEK-QVSJOPQTSA-N 0 3 248.370 3.385 20 0 BGADHN CCc1noc(C)c1[C@H](C)N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC000903315340 584749094 /nfs/dbraw/zinc/74/90/94/584749094.db2.gz FBEQSPSBSVFWEK-WSXWTOPLSA-N 0 3 248.370 3.385 20 0 BGADHN C[C@H](N[C@@H]1C[C@@H]2CCC[C@@H]12)c1ccc(F)cn1 ZINC000903316131 584749662 /nfs/dbraw/zinc/74/96/62/584749662.db2.gz HWFNZILQYBHBQJ-BQSGVUBFSA-N 0 3 234.318 3.060 20 0 BGADHN C[C@H](N[C@@H]1C[C@H]2CCC[C@@H]21)c1ccc(F)cn1 ZINC000903316133 584749717 /nfs/dbraw/zinc/74/97/17/584749717.db2.gz HWFNZILQYBHBQJ-HEQLZXTPSA-N 0 3 234.318 3.060 20 0 BGADHN C[C@H](N[C@@H]1C[C@@H]2CCC[C@H]12)c1ccc(F)cn1 ZINC000903316135 584749490 /nfs/dbraw/zinc/74/94/90/584749490.db2.gz HWFNZILQYBHBQJ-JYYRZZBQSA-N 0 3 234.318 3.060 20 0 BGADHN C[C@H](N[C@@H]1C[C@H]2CCC[C@H]21)c1ccc(F)cn1 ZINC000903316137 584749755 /nfs/dbraw/zinc/74/97/55/584749755.db2.gz HWFNZILQYBHBQJ-UZWIWUQPSA-N 0 3 234.318 3.060 20 0 BGADHN Cc1nc([C@H](C)N[C@@H]2C[C@H]3CCC[C@H]32)cs1 ZINC000903316432 584749664 /nfs/dbraw/zinc/74/96/64/584749664.db2.gz ISJNAZSRCZNJNX-JTLRNRKASA-N 0 3 236.384 3.291 20 0 BGADHN Cc1nc([C@H](C)N[C@@H]2C[C@@H]3CCC[C@@H]23)cs1 ZINC000903316433 584749335 /nfs/dbraw/zinc/74/93/35/584749335.db2.gz ISJNAZSRCZNJNX-OHBODLIOSA-N 0 3 236.384 3.291 20 0 BGADHN Cc1nc([C@H](C)N[C@@H]2C[C@@H]3CCC[C@H]23)cs1 ZINC000903316434 584749707 /nfs/dbraw/zinc/74/97/07/584749707.db2.gz ISJNAZSRCZNJNX-PDEGPIFNSA-N 0 3 236.384 3.291 20 0 BGADHN Cc1nc([C@H](C)N[C@@H]2C[C@H]3CCC[C@@H]32)cs1 ZINC000903316436 584749446 /nfs/dbraw/zinc/74/94/46/584749446.db2.gz ISJNAZSRCZNJNX-ZDDJMSTPSA-N 0 3 236.384 3.291 20 0 BGADHN C[C@H]([NH2+][C@@H]1C[C@@H]2CCC[C@H]12)c1cc([O-])cc(F)c1 ZINC000903316493 584749690 /nfs/dbraw/zinc/74/96/90/584749690.db2.gz JIPUSTMMFONQLL-FCIDVOKBSA-N 0 3 249.329 3.371 20 0 BGADHN C[C@H]([NH2+][C@@H]1C[C@@H]2CCC[C@@H]12)c1cc([O-])cc(F)c1 ZINC000903316494 584749452 /nfs/dbraw/zinc/74/94/52/584749452.db2.gz JIPUSTMMFONQLL-NBLIUIFLSA-N 0 3 249.329 3.371 20 0 BGADHN C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@H]21)c1cc([O-])cc(F)c1 ZINC000903316495 584749761 /nfs/dbraw/zinc/74/97/61/584749761.db2.gz JIPUSTMMFONQLL-UNNXFLIFSA-N 0 3 249.329 3.371 20 0 BGADHN C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H]21)c1cc([O-])cc(F)c1 ZINC000903316497 584750016 /nfs/dbraw/zinc/75/00/16/584750016.db2.gz JIPUSTMMFONQLL-WVGQAWGZSA-N 0 3 249.329 3.371 20 0 BGADHN C[C@H](N[C@@H]1C[C@@H]2CCC[C@H]12)c1ccco1 ZINC000903316854 584750138 /nfs/dbraw/zinc/75/01/38/584750138.db2.gz KEBLOKZCFMNHSE-FIQHERPVSA-N 0 3 205.301 3.119 20 0 BGADHN C[C@H](N[C@@H]1C[C@H]2CCC[C@H]21)c1ccco1 ZINC000903316855 584750104 /nfs/dbraw/zinc/75/01/04/584750104.db2.gz KEBLOKZCFMNHSE-IRCOFANPSA-N 0 3 205.301 3.119 20 0 BGADHN C[C@H](N[C@@H]1C[C@@H]2CCC[C@@H]12)c1ccco1 ZINC000903316856 584750259 /nfs/dbraw/zinc/75/02/59/584750259.db2.gz KEBLOKZCFMNHSE-NNYUYHANSA-N 0 3 205.301 3.119 20 0 BGADHN C[C@H](N[C@@H]1C[C@H]2CCC[C@@H]21)c1ccco1 ZINC000903316857 584749913 /nfs/dbraw/zinc/74/99/13/584749913.db2.gz KEBLOKZCFMNHSE-WHOHXGKFSA-N 0 3 205.301 3.119 20 0 BGADHN C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H]21)c1cccc([O-])c1F ZINC000903318776 584746213 /nfs/dbraw/zinc/74/62/13/584746213.db2.gz RSWKMHLJLWEQFW-JULQROHOSA-N 0 3 249.329 3.371 20 0 BGADHN C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@H]21)c1cccc([O-])c1F ZINC000903318777 584746068 /nfs/dbraw/zinc/74/60/68/584746068.db2.gz RSWKMHLJLWEQFW-XKAARJIMSA-N 0 3 249.329 3.371 20 0 BGADHN C[C@H]([NH2+][C@@H]1C[C@@H]2CCC[C@H]12)c1cccc([O-])c1F ZINC000903318778 584746235 /nfs/dbraw/zinc/74/62/35/584746235.db2.gz RSWKMHLJLWEQFW-XRRVDJEJSA-N 0 3 249.329 3.371 20 0 BGADHN C[C@H]([NH2+][C@@H]1C[C@@H]2CCC[C@@H]12)c1cccc([O-])c1F ZINC000903318779 584746030 /nfs/dbraw/zinc/74/60/30/584746030.db2.gz RSWKMHLJLWEQFW-YRRQLQLVSA-N 0 3 249.329 3.371 20 0 BGADHN c1nc2c(s1)CCC[C@@H]2N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC000903318893 584746303 /nfs/dbraw/zinc/74/63/03/584746303.db2.gz SAYAFMDMTGDAHG-FIQHERPVSA-N 0 3 248.395 3.299 20 0 BGADHN c1nc2c(s1)CCC[C@@H]2N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC000903318894 584746017 /nfs/dbraw/zinc/74/60/17/584746017.db2.gz SAYAFMDMTGDAHG-NOOOWODRSA-N 0 3 248.395 3.299 20 0 BGADHN c1nc2c(s1)CCC[C@@H]2N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000903318895 584746277 /nfs/dbraw/zinc/74/62/77/584746277.db2.gz SAYAFMDMTGDAHG-WHOHXGKFSA-N 0 3 248.395 3.299 20 0 BGADHN c1nc2c(s1)CCC[C@@H]2N[C@@H]1C[C@H]2CCC[C@H]21 ZINC000903318898 584746002 /nfs/dbraw/zinc/74/60/02/584746002.db2.gz SAYAFMDMTGDAHG-WISYIIOYSA-N 0 3 248.395 3.299 20 0 BGADHN Cc1nc2c(o1)CCC[C@@H]2N[C@@H]1C[C@H]2CCC[C@H]21 ZINC000903319250 584746256 /nfs/dbraw/zinc/74/62/56/584746256.db2.gz URTJZBFUXNNYSW-FVCCEPFGSA-N 0 3 246.354 3.139 20 0 BGADHN Cc1nc2c(o1)CCC[C@@H]2N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC000903319251 584746266 /nfs/dbraw/zinc/74/62/66/584746266.db2.gz URTJZBFUXNNYSW-MROQNXINSA-N 0 3 246.354 3.139 20 0 BGADHN Cc1nc2c(o1)CCC[C@@H]2N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000903319252 584746051 /nfs/dbraw/zinc/74/60/51/584746051.db2.gz URTJZBFUXNNYSW-QNWHQSFQSA-N 0 3 246.354 3.139 20 0 BGADHN Cc1nc2c(o1)CCC[C@@H]2N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC000903319253 584746004 /nfs/dbraw/zinc/74/60/04/584746004.db2.gz URTJZBFUXNNYSW-ZDEQEGDKSA-N 0 3 246.354 3.139 20 0 BGADHN C[C@H](N[C@@H]1C[C@@H]2CCC[C@@H]12)c1cc(O)ccc1F ZINC000903319509 584746528 /nfs/dbraw/zinc/74/65/28/584746528.db2.gz VBKUESIKIZVLSD-LFIJZLDSSA-N 0 3 249.329 3.371 20 0 BGADHN C[C@H](N[C@@H]1C[C@H]2CCC[C@@H]21)c1cc(O)ccc1F ZINC000903319510 584746609 /nfs/dbraw/zinc/74/66/09/584746609.db2.gz VBKUESIKIZVLSD-NPZRNVLXSA-N 0 3 249.329 3.371 20 0 BGADHN C[C@H](N[C@@H]1C[C@@H]2CCC[C@H]12)c1cc(O)ccc1F ZINC000903319511 584746408 /nfs/dbraw/zinc/74/64/08/584746408.db2.gz VBKUESIKIZVLSD-PCVQNBPASA-N 0 3 249.329 3.371 20 0 BGADHN C[C@H](N[C@@H]1C[C@H]2CCC[C@H]21)c1cc(O)ccc1F ZINC000903319512 584746565 /nfs/dbraw/zinc/74/65/65/584746565.db2.gz VBKUESIKIZVLSD-PETRGTFGSA-N 0 3 249.329 3.371 20 0 BGADHN Cc1noc(C)c1[C@H](C)N[C@@H]1C[C@H]2CCC[C@H]21 ZINC000903319546 584746697 /nfs/dbraw/zinc/74/66/97/584746697.db2.gz VKGBYNRPHCBSNY-BXGBBSSXSA-N 0 3 234.343 3.131 20 0 BGADHN Cc1noc(C)c1[C@H](C)N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000903319547 584746571 /nfs/dbraw/zinc/74/65/71/584746571.db2.gz VKGBYNRPHCBSNY-HWNAMQAFSA-N 0 3 234.343 3.131 20 0 BGADHN Cc1noc(C)c1[C@H](C)N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC000903319548 584746587 /nfs/dbraw/zinc/74/65/87/584746587.db2.gz VKGBYNRPHCBSNY-OQCKYNKVSA-N 0 3 234.343 3.131 20 0 BGADHN Cc1noc(C)c1[C@H](C)N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC000903319549 584746662 /nfs/dbraw/zinc/74/66/62/584746662.db2.gz VKGBYNRPHCBSNY-ZBPZKIAKSA-N 0 3 234.343 3.131 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H]2C[C@H]3CCC[C@@H]32)o1 ZINC000903319581 584746485 /nfs/dbraw/zinc/74/64/85/584746485.db2.gz VWEQSUPILYZKSD-QNWHQSFQSA-N 0 3 219.328 3.427 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H]2C[C@H]3CCC[C@H]32)o1 ZINC000903319582 584746398 /nfs/dbraw/zinc/74/63/98/584746398.db2.gz VWEQSUPILYZKSD-UMSGYPCISA-N 0 3 219.328 3.427 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H]2C[C@@H]3CCC[C@@H]23)o1 ZINC000903319583 584746429 /nfs/dbraw/zinc/74/64/29/584746429.db2.gz VWEQSUPILYZKSD-WUHRBBMRSA-N 0 3 219.328 3.427 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H]2C[C@@H]3CCC[C@H]23)o1 ZINC000903319584 584746491 /nfs/dbraw/zinc/74/64/91/584746491.db2.gz VWEQSUPILYZKSD-ZDEQEGDKSA-N 0 3 219.328 3.427 20 0 BGADHN Cc1csc([C@H](C)N[C@@H]2C[C@@H]3CCC[C@H]23)n1 ZINC000903320198 584746422 /nfs/dbraw/zinc/74/64/22/584746422.db2.gz ZREXFXQUZOSJHA-FIQHERPVSA-N 0 3 236.384 3.291 20 0 BGADHN Cc1csc([C@H](C)N[C@@H]2C[C@H]3CCC[C@H]32)n1 ZINC000903320199 584746416 /nfs/dbraw/zinc/74/64/16/584746416.db2.gz ZREXFXQUZOSJHA-IRCOFANPSA-N 0 3 236.384 3.291 20 0 BGADHN Cc1csc([C@H](C)N[C@@H]2C[C@@H]3CCC[C@@H]23)n1 ZINC000903320200 584746585 /nfs/dbraw/zinc/74/65/85/584746585.db2.gz ZREXFXQUZOSJHA-NNYUYHANSA-N 0 3 236.384 3.291 20 0 BGADHN Cc1csc([C@H](C)N[C@@H]2C[C@H]3CCC[C@@H]32)n1 ZINC000903320201 584746616 /nfs/dbraw/zinc/74/66/16/584746616.db2.gz ZREXFXQUZOSJHA-WHOHXGKFSA-N 0 3 236.384 3.291 20 0 BGADHN C[C@@H](CC(C)(C)C)N[C@H](c1ncccn1)C1CC1 ZINC000903321788 584747174 /nfs/dbraw/zinc/74/71/74/584747174.db2.gz CMGKGWUGEHIWMO-AAEUAGOBSA-N 0 3 247.386 3.342 20 0 BGADHN C[C@H](CC(C)(C)C)N[C@@H](c1ncccn1)C1CC1 ZINC000903321789 584746791 /nfs/dbraw/zinc/74/67/91/584746791.db2.gz CMGKGWUGEHIWMO-DGCLKSJQSA-N 0 3 247.386 3.342 20 0 BGADHN C[C@@H](CC(C)(C)C)N[C@@H](c1ncccn1)C1CC1 ZINC000903321790 584746950 /nfs/dbraw/zinc/74/69/50/584746950.db2.gz CMGKGWUGEHIWMO-WCQYABFASA-N 0 3 247.386 3.342 20 0 BGADHN C[C@H](CC(C)(C)C)N[C@H](c1ncccn1)C1CC1 ZINC000903321791 584746773 /nfs/dbraw/zinc/74/67/73/584746773.db2.gz CMGKGWUGEHIWMO-YPMHNXCESA-N 0 3 247.386 3.342 20 0 BGADHN CC1(C)CC[C@@H](N[C@@H](c2ncccn2)C2CC2)C1 ZINC000903323157 584746974 /nfs/dbraw/zinc/74/69/74/584746974.db2.gz AVVLAYBDYDMJMA-CHWSQXEVSA-N 0 3 245.370 3.096 20 0 BGADHN CC1(C)CC[C@@H](N[C@H](c2ncccn2)C2CC2)C1 ZINC000903323158 584746819 /nfs/dbraw/zinc/74/68/19/584746819.db2.gz AVVLAYBDYDMJMA-OLZOCXBDSA-N 0 3 245.370 3.096 20 0 BGADHN CC1(C)CC[C@H](N[C@@H](c2ncccn2)C2CC2)C1 ZINC000903323160 584746911 /nfs/dbraw/zinc/74/69/11/584746911.db2.gz AVVLAYBDYDMJMA-QWHCGFSZSA-N 0 3 245.370 3.096 20 0 BGADHN CC1(C)CC[C@H](N[C@H](c2ncccn2)C2CC2)C1 ZINC000903323162 584747065 /nfs/dbraw/zinc/74/70/65/584747065.db2.gz AVVLAYBDYDMJMA-STQMWFEESA-N 0 3 245.370 3.096 20 0 BGADHN C[C@H](CCC1CC1)N[C@@H](c1ncccn1)C1CC1 ZINC000903323193 584746793 /nfs/dbraw/zinc/74/67/93/584746793.db2.gz BBTLNTVSTNUJPT-BXUZGUMPSA-N 0 3 245.370 3.096 20 0 BGADHN C[C@@H](CCC1CC1)N[C@H](c1ncccn1)C1CC1 ZINC000903323194 584746797 /nfs/dbraw/zinc/74/67/97/584746797.db2.gz BBTLNTVSTNUJPT-FZMZJTMJSA-N 0 3 245.370 3.096 20 0 BGADHN C[C@H](CCC1CC1)N[C@H](c1ncccn1)C1CC1 ZINC000903323196 584746771 /nfs/dbraw/zinc/74/67/71/584746771.db2.gz BBTLNTVSTNUJPT-RISCZKNCSA-N 0 3 245.370 3.096 20 0 BGADHN C[C@@H](CCC1CC1)N[C@@H](c1ncccn1)C1CC1 ZINC000903323197 584747115 /nfs/dbraw/zinc/74/71/15/584747115.db2.gz BBTLNTVSTNUJPT-SMDDNHRTSA-N 0 3 245.370 3.096 20 0 BGADHN CCC[C@@H](CC)N[C@@H](c1ncccn1)C1CC1 ZINC000903326393 584753584 /nfs/dbraw/zinc/75/35/84/584753584.db2.gz LIYYZTXXJGUFRN-CHWSQXEVSA-N 0 3 233.359 3.096 20 0 BGADHN CCC[C@@H](CC)N[C@H](c1ncccn1)C1CC1 ZINC000903326394 584753446 /nfs/dbraw/zinc/75/34/46/584753446.db2.gz LIYYZTXXJGUFRN-OLZOCXBDSA-N 0 3 233.359 3.096 20 0 BGADHN CCC[C@H](CC)N[C@@H](c1ncccn1)C1CC1 ZINC000903326395 584753473 /nfs/dbraw/zinc/75/34/73/584753473.db2.gz LIYYZTXXJGUFRN-QWHCGFSZSA-N 0 3 233.359 3.096 20 0 BGADHN CCC[C@H](CC)N[C@H](c1ncccn1)C1CC1 ZINC000903326396 584753497 /nfs/dbraw/zinc/75/34/97/584753497.db2.gz LIYYZTXXJGUFRN-STQMWFEESA-N 0 3 233.359 3.096 20 0 BGADHN C[C@H](CC1CCC1)N[C@@H](c1ncccn1)C1CC1 ZINC000903327504 584753356 /nfs/dbraw/zinc/75/33/56/584753356.db2.gz USKGXBXVIXZENO-BXUZGUMPSA-N 0 3 245.370 3.096 20 0 BGADHN C[C@@H](CC1CCC1)N[C@H](c1ncccn1)C1CC1 ZINC000903327505 584753616 /nfs/dbraw/zinc/75/36/16/584753616.db2.gz USKGXBXVIXZENO-FZMZJTMJSA-N 0 3 245.370 3.096 20 0 BGADHN C[C@H](CC1CCC1)N[C@H](c1ncccn1)C1CC1 ZINC000903327506 584753338 /nfs/dbraw/zinc/75/33/38/584753338.db2.gz USKGXBXVIXZENO-RISCZKNCSA-N 0 3 245.370 3.096 20 0 BGADHN C[C@@H](CC1CCC1)N[C@@H](c1ncccn1)C1CC1 ZINC000903327507 584753466 /nfs/dbraw/zinc/75/34/66/584753466.db2.gz USKGXBXVIXZENO-SMDDNHRTSA-N 0 3 245.370 3.096 20 0 BGADHN CCc1ccc([C@@H](C)N[C@H](C)C(C)(C)OC)o1 ZINC000903329301 584753904 /nfs/dbraw/zinc/75/39/04/584753904.db2.gz BLHPZWPLQDDJHF-GHMZBOCLSA-N 0 3 239.359 3.306 20 0 BGADHN CCc1ccc([C@@H](C)N[C@@H](C)C(C)(C)OC)o1 ZINC000903329302 584754039 /nfs/dbraw/zinc/75/40/39/584754039.db2.gz BLHPZWPLQDDJHF-MNOVXSKESA-N 0 3 239.359 3.306 20 0 BGADHN CCc1ccc([C@H](C)N[C@@H](C)C(C)(C)OC)o1 ZINC000903329303 584753845 /nfs/dbraw/zinc/75/38/45/584753845.db2.gz BLHPZWPLQDDJHF-QWRGUYRKSA-N 0 3 239.359 3.306 20 0 BGADHN CCc1ccc([C@H](C)N[C@H](C)C(C)(C)OC)o1 ZINC000903329304 584753983 /nfs/dbraw/zinc/75/39/83/584753983.db2.gz BLHPZWPLQDDJHF-WDEREUQCSA-N 0 3 239.359 3.306 20 0 BGADHN CCCC(CCC)N[C@H](c1ncccn1)C1CC1 ZINC000903329836 584754119 /nfs/dbraw/zinc/75/41/19/584754119.db2.gz FDLOLLLRXIDLNL-AWEZNQCLSA-N 0 3 247.386 3.486 20 0 BGADHN CCCC(CCC)N[C@@H](c1ncccn1)C1CC1 ZINC000903329837 584754065 /nfs/dbraw/zinc/75/40/65/584754065.db2.gz FDLOLLLRXIDLNL-CQSZACIVSA-N 0 3 247.386 3.486 20 0 BGADHN CC(C)CC[C@H](C)N[C@@H](c1ncccn1)C1CC1 ZINC000903331974 584754275 /nfs/dbraw/zinc/75/42/75/584754275.db2.gz LHMYPSKADDOOEC-GXTWGEPZSA-N 0 3 247.386 3.342 20 0 BGADHN CC(C)CC[C@H](C)N[C@H](c1ncccn1)C1CC1 ZINC000903331975 584754575 /nfs/dbraw/zinc/75/45/75/584754575.db2.gz LHMYPSKADDOOEC-JSGCOSHPSA-N 0 3 247.386 3.342 20 0 BGADHN CC(C)CC[C@@H](C)N[C@H](c1ncccn1)C1CC1 ZINC000903331976 584754457 /nfs/dbraw/zinc/75/44/57/584754457.db2.gz LHMYPSKADDOOEC-OCCSQVGLSA-N 0 3 247.386 3.342 20 0 BGADHN CC(C)CC[C@@H](C)N[C@@H](c1ncccn1)C1CC1 ZINC000903331977 584754378 /nfs/dbraw/zinc/75/43/78/584754378.db2.gz LHMYPSKADDOOEC-TZMCWYRMSA-N 0 3 247.386 3.342 20 0 BGADHN C[C@@H]1CCC[C@@H](N[C@H](c2ncccn2)C2CC2)C1 ZINC000903332297 584754646 /nfs/dbraw/zinc/75/46/46/584754646.db2.gz MUKIANRHSPTQCB-BNOWGMLFSA-N 0 3 245.370 3.096 20 0 BGADHN C[C@@H]1CCC[C@H](N[C@@H](c2ncccn2)C2CC2)C1 ZINC000903332298 584754802 /nfs/dbraw/zinc/75/48/02/584754802.db2.gz MUKIANRHSPTQCB-KWCYVHTRSA-N 0 3 245.370 3.096 20 0 BGADHN C[C@@H]1CCC[C@@H](N[C@@H](c2ncccn2)C2CC2)C1 ZINC000903332499 584754826 /nfs/dbraw/zinc/75/48/26/584754826.db2.gz MUKIANRHSPTQCB-MRVWCRGKSA-N 0 3 245.370 3.096 20 0 BGADHN C[C@@H]1CCC[C@H](N[C@H](c2ncccn2)C2CC2)C1 ZINC000903332500 584754624 /nfs/dbraw/zinc/75/46/24/584754624.db2.gz MUKIANRHSPTQCB-XBFCOCLRSA-N 0 3 245.370 3.096 20 0 BGADHN CC1CCC(N[C@H](c2ncccn2)C2CC2)CC1 ZINC000903332833 584755017 /nfs/dbraw/zinc/75/50/17/584755017.db2.gz OTMYXIPMHMGIIU-UBHUBRDASA-N 0 3 245.370 3.096 20 0 BGADHN CC1CCC(N[C@@H](c2ncccn2)C2CC2)CC1 ZINC000903332834 584754845 /nfs/dbraw/zinc/75/48/45/584754845.db2.gz OTMYXIPMHMGIIU-UXUKBGGZSA-N 0 3 245.370 3.096 20 0 BGADHN COC(C)(C)[C@@H](C)N[C@@H](C)c1cc(C)c(C)o1 ZINC000903332921 584754719 /nfs/dbraw/zinc/75/47/19/584754719.db2.gz VOOIRCOQGYVVDM-CMPLNLGQSA-N 0 3 239.359 3.361 20 0 BGADHN COC(C)(C)[C@H](C)N[C@@H](C)c1cc(C)c(C)o1 ZINC000903332922 584754877 /nfs/dbraw/zinc/75/48/77/584754877.db2.gz VOOIRCOQGYVVDM-JQWIXIFHSA-N 0 3 239.359 3.361 20 0 BGADHN COC(C)(C)[C@H](C)N[C@H](C)c1cc(C)c(C)o1 ZINC000903332923 584754768 /nfs/dbraw/zinc/75/47/68/584754768.db2.gz VOOIRCOQGYVVDM-PWSUYJOCSA-N 0 3 239.359 3.361 20 0 BGADHN COC(C)(C)[C@@H](C)N[C@H](C)c1cc(C)c(C)o1 ZINC000903332924 584754792 /nfs/dbraw/zinc/75/47/92/584754792.db2.gz VOOIRCOQGYVVDM-ZYHUDNBSSA-N 0 3 239.359 3.361 20 0 BGADHN CCCCC[C@H](C)N[C@@H](c1ncccn1)C1CC1 ZINC000903333116 584751008 /nfs/dbraw/zinc/75/10/08/584751008.db2.gz POTJLXSGKGNMKB-GXTWGEPZSA-N 0 3 247.386 3.486 20 0 BGADHN CCCCC[C@H](C)N[C@H](c1ncccn1)C1CC1 ZINC000903333117 584750801 /nfs/dbraw/zinc/75/08/01/584750801.db2.gz POTJLXSGKGNMKB-JSGCOSHPSA-N 0 3 247.386 3.486 20 0 BGADHN CCCCC[C@@H](C)N[C@H](c1ncccn1)C1CC1 ZINC000903333118 584750870 /nfs/dbraw/zinc/75/08/70/584750870.db2.gz POTJLXSGKGNMKB-OCCSQVGLSA-N 0 3 247.386 3.486 20 0 BGADHN CCCCC[C@@H](C)N[C@@H](c1ncccn1)C1CC1 ZINC000903333119 584750971 /nfs/dbraw/zinc/75/09/71/584750971.db2.gz POTJLXSGKGNMKB-TZMCWYRMSA-N 0 3 247.386 3.486 20 0 BGADHN C[C@@H]1CCCC[C@H]1N[C@H](c1ncccn1)C1CC1 ZINC000903333183 584750912 /nfs/dbraw/zinc/75/09/12/584750912.db2.gz QNLFNAPRRJRGNH-BNOWGMLFSA-N 0 3 245.370 3.096 20 0 BGADHN C[C@@H]1CCCC[C@@H]1N[C@@H](c1ncccn1)C1CC1 ZINC000903333184 584750996 /nfs/dbraw/zinc/75/09/96/584750996.db2.gz QNLFNAPRRJRGNH-KWCYVHTRSA-N 0 3 245.370 3.096 20 0 BGADHN C[C@@H]1CCCC[C@H]1N[C@@H](c1ncccn1)C1CC1 ZINC000903333185 584750865 /nfs/dbraw/zinc/75/08/65/584750865.db2.gz QNLFNAPRRJRGNH-MRVWCRGKSA-N 0 3 245.370 3.096 20 0 BGADHN C[C@@H]1CCCC[C@@H]1N[C@H](c1ncccn1)C1CC1 ZINC000903333186 584750829 /nfs/dbraw/zinc/75/08/29/584750829.db2.gz QNLFNAPRRJRGNH-XBFCOCLRSA-N 0 3 245.370 3.096 20 0 BGADHN c1cnc([C@@H](NC2CCCCCC2)C2CC2)nc1 ZINC000903333502 584750826 /nfs/dbraw/zinc/75/08/26/584750826.db2.gz ROSKPAPVANWLOZ-AWEZNQCLSA-N 0 3 245.370 3.240 20 0 BGADHN c1cnc([C@H](NC2CCCCCC2)C2CC2)nc1 ZINC000903333503 584750910 /nfs/dbraw/zinc/75/09/10/584750910.db2.gz ROSKPAPVANWLOZ-CQSZACIVSA-N 0 3 245.370 3.240 20 0 BGADHN C[C@@H](N[C@@H](c1ncccn1)C1CC1)C1CCCC1 ZINC000903333524 584750973 /nfs/dbraw/zinc/75/09/73/584750973.db2.gz RVDIXOYDKIRECF-BXUZGUMPSA-N 0 3 245.370 3.096 20 0 BGADHN C[C@H](N[C@H](c1ncccn1)C1CC1)C1CCCC1 ZINC000903333525 584751117 /nfs/dbraw/zinc/75/11/17/584751117.db2.gz RVDIXOYDKIRECF-FZMZJTMJSA-N 0 3 245.370 3.096 20 0 BGADHN C[C@@H](N[C@H](c1ncccn1)C1CC1)C1CCCC1 ZINC000903333526 584751016 /nfs/dbraw/zinc/75/10/16/584751016.db2.gz RVDIXOYDKIRECF-RISCZKNCSA-N 0 3 245.370 3.096 20 0 BGADHN C[C@H](N[C@@H](c1ncccn1)C1CC1)C1CCCC1 ZINC000903333527 584750918 /nfs/dbraw/zinc/75/09/18/584750918.db2.gz RVDIXOYDKIRECF-SMDDNHRTSA-N 0 3 245.370 3.096 20 0 BGADHN CCCC[C@H](CC)N[C@H](c1ncccn1)C1CC1 ZINC000903334089 584751334 /nfs/dbraw/zinc/75/13/34/584751334.db2.gz WIKVXAYLMYOPID-KBPBESRZSA-N 0 3 247.386 3.486 20 0 BGADHN CCCC[C@@H](CC)N[C@H](c1ncccn1)C1CC1 ZINC000903334090 584751321 /nfs/dbraw/zinc/75/13/21/584751321.db2.gz WIKVXAYLMYOPID-KGLIPLIRSA-N 0 3 247.386 3.486 20 0 BGADHN CCCC[C@H](CC)N[C@@H](c1ncccn1)C1CC1 ZINC000903334091 584751448 /nfs/dbraw/zinc/75/14/48/584751448.db2.gz WIKVXAYLMYOPID-UONOGXRCSA-N 0 3 247.386 3.486 20 0 BGADHN CCCC[C@@H](CC)N[C@@H](c1ncccn1)C1CC1 ZINC000903334092 584751203 /nfs/dbraw/zinc/75/12/03/584751203.db2.gz WIKVXAYLMYOPID-ZIAGYGMSSA-N 0 3 247.386 3.486 20 0 BGADHN CCCC[C@H](C)N[C@H](c1ncccn1)C1CC1 ZINC000903334412 584751442 /nfs/dbraw/zinc/75/14/42/584751442.db2.gz ZCZWUYDUCVIASK-AAEUAGOBSA-N 0 3 233.359 3.096 20 0 BGADHN CCCC[C@@H](C)N[C@@H](c1ncccn1)C1CC1 ZINC000903334413 584751193 /nfs/dbraw/zinc/75/11/93/584751193.db2.gz ZCZWUYDUCVIASK-DGCLKSJQSA-N 0 3 233.359 3.096 20 0 BGADHN CCCC[C@H](C)N[C@@H](c1ncccn1)C1CC1 ZINC000903334414 584751581 /nfs/dbraw/zinc/75/15/81/584751581.db2.gz ZCZWUYDUCVIASK-WCQYABFASA-N 0 3 233.359 3.096 20 0 BGADHN CCCC[C@@H](C)N[C@H](c1ncccn1)C1CC1 ZINC000903334415 584751229 /nfs/dbraw/zinc/75/12/29/584751229.db2.gz ZCZWUYDUCVIASK-YPMHNXCESA-N 0 3 233.359 3.096 20 0 BGADHN c1ccc([C@@H](N[C@@H]2CCC23CCC3)C2CC2)nc1 ZINC000903334879 584751410 /nfs/dbraw/zinc/75/14/10/584751410.db2.gz IGFJSHIYKVTGCC-CABCVRRESA-N 0 3 242.366 3.455 20 0 BGADHN c1ccc([C@@H](N[C@H]2CCC23CCC3)C2CC2)nc1 ZINC000903334880 584751543 /nfs/dbraw/zinc/75/15/43/584751543.db2.gz IGFJSHIYKVTGCC-GJZGRUSLSA-N 0 3 242.366 3.455 20 0 BGADHN c1ccc([C@H](N[C@@H]2CCC23CCC3)C2CC2)nc1 ZINC000903334881 584751237 /nfs/dbraw/zinc/75/12/37/584751237.db2.gz IGFJSHIYKVTGCC-HUUCEWRRSA-N 0 3 242.366 3.455 20 0 BGADHN c1ccc([C@H](N[C@H]2CCC23CCC3)C2CC2)nc1 ZINC000903334882 584751332 /nfs/dbraw/zinc/75/13/32/584751332.db2.gz IGFJSHIYKVTGCC-LSDHHAIUSA-N 0 3 242.366 3.455 20 0 BGADHN CC1(C)CC[C@@H]1N[C@H](c1ccccn1)C1CC1 ZINC000903334948 584751175 /nfs/dbraw/zinc/75/11/75/584751175.db2.gz JCLKSCIWCFPETK-KBPBESRZSA-N 0 3 230.355 3.311 20 0 BGADHN CC1(C)CC[C@H]1N[C@H](c1ccccn1)C1CC1 ZINC000903334949 584751180 /nfs/dbraw/zinc/75/11/80/584751180.db2.gz JCLKSCIWCFPETK-KGLIPLIRSA-N 0 3 230.355 3.311 20 0 BGADHN CC1(C)CC[C@@H]1N[C@@H](c1ccccn1)C1CC1 ZINC000903334950 584751490 /nfs/dbraw/zinc/75/14/90/584751490.db2.gz JCLKSCIWCFPETK-UONOGXRCSA-N 0 3 230.355 3.311 20 0 BGADHN CC1(C)CC[C@H]1N[C@@H](c1ccccn1)C1CC1 ZINC000903334951 584751551 /nfs/dbraw/zinc/75/15/51/584751551.db2.gz JCLKSCIWCFPETK-ZIAGYGMSSA-N 0 3 230.355 3.311 20 0 BGADHN CC1(C)CC(N[C@H](c2ccccn2)C2CC2)C1 ZINC000903335127 584751493 /nfs/dbraw/zinc/75/14/93/584751493.db2.gz LIIKRXZPJVLARB-AWEZNQCLSA-N 0 3 230.355 3.311 20 0 BGADHN CC1(C)CC(N[C@@H](c2ccccn2)C2CC2)C1 ZINC000903335128 584751350 /nfs/dbraw/zinc/75/13/50/584751350.db2.gz LIIKRXZPJVLARB-CQSZACIVSA-N 0 3 230.355 3.311 20 0 BGADHN c1ccc([C@H](N[C@H]2CCCSC2)C2CC2)nc1 ZINC000903337761 584751896 /nfs/dbraw/zinc/75/18/96/584751896.db2.gz FDHLHZLGZMOBRN-GXTWGEPZSA-N 0 3 248.395 3.018 20 0 BGADHN c1ccc([C@@H](N[C@H]2CCCSC2)C2CC2)nc1 ZINC000903337762 584751944 /nfs/dbraw/zinc/75/19/44/584751944.db2.gz FDHLHZLGZMOBRN-JSGCOSHPSA-N 0 3 248.395 3.018 20 0 BGADHN c1ccc([C@@H](N[C@@H]2CCCSC2)C2CC2)nc1 ZINC000903337763 584751798 /nfs/dbraw/zinc/75/17/98/584751798.db2.gz FDHLHZLGZMOBRN-OCCSQVGLSA-N 0 3 248.395 3.018 20 0 BGADHN c1ccc([C@H](N[C@@H]2CCCSC2)C2CC2)nc1 ZINC000903337764 584751840 /nfs/dbraw/zinc/75/18/40/584751840.db2.gz FDHLHZLGZMOBRN-TZMCWYRMSA-N 0 3 248.395 3.018 20 0 BGADHN Cc1[nH]ncc1[C@H](C)Nc1ccc(C(C)C)nc1 ZINC000903340295 584752231 /nfs/dbraw/zinc/75/22/31/584752231.db2.gz SYPNVPOJPWGCCZ-JTQLQIEISA-N 0 3 244.342 3.410 20 0 BGADHN Cc1[nH]ncc1[C@@H](C)Nc1ccc(C(C)C)nc1 ZINC000903340302 584752103 /nfs/dbraw/zinc/75/21/03/584752103.db2.gz SYPNVPOJPWGCCZ-SNVBAGLBSA-N 0 3 244.342 3.410 20 0 BGADHN C[C@H](NC[C@H]1CCC=CCCC1)c1nccn1C ZINC000903344078 584752602 /nfs/dbraw/zinc/75/26/02/584752602.db2.gz FNSCZCIDBHZUIJ-KBPBESRZSA-N 0 3 247.386 3.207 20 0 BGADHN C[C@@H](NC[C@H]1CCC=CCCC1)c1nccn1C ZINC000903344079 584752829 /nfs/dbraw/zinc/75/28/29/584752829.db2.gz FNSCZCIDBHZUIJ-KGLIPLIRSA-N 0 3 247.386 3.207 20 0 BGADHN C[C@H](NC[C@@H]1CCC=CCCC1)c1nccn1C ZINC000903344080 584752562 /nfs/dbraw/zinc/75/25/62/584752562.db2.gz FNSCZCIDBHZUIJ-UONOGXRCSA-N 0 3 247.386 3.207 20 0 BGADHN C[C@@H](NC[C@@H]1CCC=CCCC1)c1nccn1C ZINC000903344081 584752533 /nfs/dbraw/zinc/75/25/33/584752533.db2.gz FNSCZCIDBHZUIJ-ZIAGYGMSSA-N 0 3 247.386 3.207 20 0 BGADHN Cc1nonc1[C@H](C)NC[C@H]1CCC=CCCC1 ZINC000903344294 584752731 /nfs/dbraw/zinc/75/27/31/584752731.db2.gz GATVPWUMXGCJMM-AAEUAGOBSA-N 0 3 249.358 3.165 20 0 BGADHN Cc1nonc1[C@@H](C)NC[C@@H]1CCC=CCCC1 ZINC000903344295 584752778 /nfs/dbraw/zinc/75/27/78/584752778.db2.gz GATVPWUMXGCJMM-DGCLKSJQSA-N 0 3 249.358 3.165 20 0 BGADHN Cc1nonc1[C@H](C)NC[C@@H]1CCC=CCCC1 ZINC000903344297 584752550 /nfs/dbraw/zinc/75/25/50/584752550.db2.gz GATVPWUMXGCJMM-WCQYABFASA-N 0 3 249.358 3.165 20 0 BGADHN Cc1nonc1[C@@H](C)NC[C@H]1CCC=CCCC1 ZINC000903344299 584752478 /nfs/dbraw/zinc/75/24/78/584752478.db2.gz GATVPWUMXGCJMM-YPMHNXCESA-N 0 3 249.358 3.165 20 0 BGADHN C[C@H](NC[C@H]1CCC=CCCC1)c1cn(C)cn1 ZINC000903344559 584752568 /nfs/dbraw/zinc/75/25/68/584752568.db2.gz HTWHGFBCWXXYSB-KBPBESRZSA-N 0 3 247.386 3.207 20 0 BGADHN C[C@@H](NC[C@H]1CCC=CCCC1)c1cn(C)cn1 ZINC000903344560 584752566 /nfs/dbraw/zinc/75/25/66/584752566.db2.gz HTWHGFBCWXXYSB-KGLIPLIRSA-N 0 3 247.386 3.207 20 0 BGADHN C[C@H](NC[C@@H]1CCC=CCCC1)c1cn(C)cn1 ZINC000903344561 584752774 /nfs/dbraw/zinc/75/27/74/584752774.db2.gz HTWHGFBCWXXYSB-UONOGXRCSA-N 0 3 247.386 3.207 20 0 BGADHN C[C@@H](NC[C@@H]1CCC=CCCC1)c1cn(C)cn1 ZINC000903344562 584752782 /nfs/dbraw/zinc/75/27/82/584752782.db2.gz HTWHGFBCWXXYSB-ZIAGYGMSSA-N 0 3 247.386 3.207 20 0 BGADHN C[C@@H](NC[C@@H]1CCC=CCCC1)c1ncc[nH]1 ZINC000903345494 584753229 /nfs/dbraw/zinc/75/32/29/584753229.db2.gz NASWQVZZRLUQMC-CHWSQXEVSA-N 0 3 233.359 3.197 20 0 BGADHN C[C@@H](NC[C@H]1CCC=CCCC1)c1ncc[nH]1 ZINC000903345496 584753167 /nfs/dbraw/zinc/75/31/67/584753167.db2.gz NASWQVZZRLUQMC-OLZOCXBDSA-N 0 3 233.359 3.197 20 0 BGADHN C[C@H](NC[C@@H]1CCC=CCCC1)c1ncc[nH]1 ZINC000903345497 584753073 /nfs/dbraw/zinc/75/30/73/584753073.db2.gz NASWQVZZRLUQMC-QWHCGFSZSA-N 0 3 233.359 3.197 20 0 BGADHN C[C@H](NC[C@H]1CCC=CCCC1)c1ncc[nH]1 ZINC000903345499 584753189 /nfs/dbraw/zinc/75/31/89/584753189.db2.gz NASWQVZZRLUQMC-STQMWFEESA-N 0 3 233.359 3.197 20 0 BGADHN C[C@H](NC[C@H]1CCC=CCCC1)c1ccn(C)n1 ZINC000903346072 584752954 /nfs/dbraw/zinc/75/29/54/584752954.db2.gz QOVTYNCJPLGHAR-KBPBESRZSA-N 0 3 247.386 3.207 20 0 BGADHN C[C@@H](NC[C@H]1CCC=CCCC1)c1ccn(C)n1 ZINC000903346073 584752984 /nfs/dbraw/zinc/75/29/84/584752984.db2.gz QOVTYNCJPLGHAR-KGLIPLIRSA-N 0 3 247.386 3.207 20 0 BGADHN C[C@H](NC[C@@H]1CCC=CCCC1)c1ccn(C)n1 ZINC000903346074 584753148 /nfs/dbraw/zinc/75/31/48/584753148.db2.gz QOVTYNCJPLGHAR-UONOGXRCSA-N 0 3 247.386 3.207 20 0 BGADHN C[C@@H](NC[C@@H]1CCC=CCCC1)c1ccn(C)n1 ZINC000903346075 584753061 /nfs/dbraw/zinc/75/30/61/584753061.db2.gz QOVTYNCJPLGHAR-ZIAGYGMSSA-N 0 3 247.386 3.207 20 0 BGADHN c1cn2c(n1)[C@@H](NC[C@H]1CCC=CCCC1)CC2 ZINC000903347000 584752967 /nfs/dbraw/zinc/75/29/67/584752967.db2.gz YHOPKWVHHCSEIP-KBPBESRZSA-N 0 3 245.370 3.054 20 0 BGADHN c1cn2c(n1)[C@@H](NC[C@@H]1CCC=CCCC1)CC2 ZINC000903347001 584753105 /nfs/dbraw/zinc/75/31/05/584753105.db2.gz YHOPKWVHHCSEIP-KGLIPLIRSA-N 0 3 245.370 3.054 20 0 BGADHN c1cn2c(n1)[C@H](NC[C@H]1CCC=CCCC1)CC2 ZINC000903347002 584753245 /nfs/dbraw/zinc/75/32/45/584753245.db2.gz YHOPKWVHHCSEIP-UONOGXRCSA-N 0 3 245.370 3.054 20 0 BGADHN c1cn2c(n1)[C@H](NC[C@@H]1CCC=CCCC1)CC2 ZINC000903347003 584752996 /nfs/dbraw/zinc/75/29/96/584752996.db2.gz YHOPKWVHHCSEIP-ZIAGYGMSSA-N 0 3 245.370 3.054 20 0 BGADHN CC[C@@H](CC1CCCCC1)NCc1cn(C)cn1 ZINC000903350628 584755061 /nfs/dbraw/zinc/75/50/61/584755061.db2.gz DCHXJGIJAGEDRM-AWEZNQCLSA-N 0 3 249.402 3.259 20 0 BGADHN CC[C@H](CC1CCCCC1)NCc1cn(C)cn1 ZINC000903350629 584754673 /nfs/dbraw/zinc/75/46/73/584754673.db2.gz DCHXJGIJAGEDRM-CQSZACIVSA-N 0 3 249.402 3.259 20 0 BGADHN CC(C)=C1CC[C@@H](C)C[C@@H]1NCc1cn(C)cn1 ZINC000903352706 584755930 /nfs/dbraw/zinc/75/59/30/584755930.db2.gz WKVUXAIEYMKQRA-DOMZBBRYSA-N 0 3 247.386 3.035 20 0 BGADHN CC(C)=C1CC[C@@H](C)C[C@H]1NCc1cn(C)cn1 ZINC000903352707 584755710 /nfs/dbraw/zinc/75/57/10/584755710.db2.gz WKVUXAIEYMKQRA-IUODEOHRSA-N 0 3 247.386 3.035 20 0 BGADHN CC[C@@H](NC(C)C)c1cc(F)ccc1OC ZINC000903371349 584755991 /nfs/dbraw/zinc/75/59/91/584755991.db2.gz RBZYXOFQEWMKKO-GFCCVEGCSA-N 0 3 225.307 3.283 20 0 BGADHN CC[C@H](NC(C)C)c1cc(F)ccc1OC ZINC000903371351 584756076 /nfs/dbraw/zinc/75/60/76/584756076.db2.gz RBZYXOFQEWMKKO-LBPRGKRZSA-N 0 3 225.307 3.283 20 0 BGADHN C[C@H](N[C@H]1CCOC12CCCC2)c1ccco1 ZINC000903382038 584757430 /nfs/dbraw/zinc/75/74/30/584757430.db2.gz DRTJTQAIBKVTPY-AAEUAGOBSA-N 0 3 235.327 3.032 20 0 BGADHN C[C@@H](N[C@@H]1CCOC12CCCC2)c1ccco1 ZINC000903382039 584757326 /nfs/dbraw/zinc/75/73/26/584757326.db2.gz DRTJTQAIBKVTPY-DGCLKSJQSA-N 0 3 235.327 3.032 20 0 BGADHN C[C@H](N[C@@H]1CCOC12CCCC2)c1ccco1 ZINC000903382040 584757290 /nfs/dbraw/zinc/75/72/90/584757290.db2.gz DRTJTQAIBKVTPY-WCQYABFASA-N 0 3 235.327 3.032 20 0 BGADHN C[C@@H](N[C@H]1CCOC12CCCC2)c1ccco1 ZINC000903382041 584757268 /nfs/dbraw/zinc/75/72/68/584757268.db2.gz DRTJTQAIBKVTPY-YPMHNXCESA-N 0 3 235.327 3.032 20 0 BGADHN C[C@H](N[C@H]1CCOC12CCCC2)c1ccoc1 ZINC000903382084 584757247 /nfs/dbraw/zinc/75/72/47/584757247.db2.gz FCXJGXLDXRFTLC-AAEUAGOBSA-N 0 3 235.327 3.032 20 0 BGADHN C[C@@H](N[C@@H]1CCOC12CCCC2)c1ccoc1 ZINC000903382085 584757443 /nfs/dbraw/zinc/75/74/43/584757443.db2.gz FCXJGXLDXRFTLC-DGCLKSJQSA-N 0 3 235.327 3.032 20 0 BGADHN C[C@H](N[C@@H]1CCOC12CCCC2)c1ccoc1 ZINC000903382086 584757567 /nfs/dbraw/zinc/75/75/67/584757567.db2.gz FCXJGXLDXRFTLC-WCQYABFASA-N 0 3 235.327 3.032 20 0 BGADHN C[C@@H](N[C@H]1CCOC12CCCC2)c1ccoc1 ZINC000903382087 584757565 /nfs/dbraw/zinc/75/75/65/584757565.db2.gz FCXJGXLDXRFTLC-YPMHNXCESA-N 0 3 235.327 3.032 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H]2CCOC23CCCC3)o1 ZINC000903383254 584757293 /nfs/dbraw/zinc/75/72/93/584757293.db2.gz NGGDFYUKHCMGIK-GXTWGEPZSA-N 0 3 249.354 3.340 20 0 BGADHN Cc1ccc([C@H](C)N[C@H]2CCOC23CCCC3)o1 ZINC000903383255 584757225 /nfs/dbraw/zinc/75/72/25/584757225.db2.gz NGGDFYUKHCMGIK-JSGCOSHPSA-N 0 3 249.354 3.340 20 0 BGADHN Cc1ccc([C@@H](C)N[C@H]2CCOC23CCCC3)o1 ZINC000903383256 584757321 /nfs/dbraw/zinc/75/73/21/584757321.db2.gz NGGDFYUKHCMGIK-OCCSQVGLSA-N 0 3 249.354 3.340 20 0 BGADHN Cc1ccc([C@@H](C)N[C@@H]2CCOC23CCCC3)o1 ZINC000903383257 584757414 /nfs/dbraw/zinc/75/74/14/584757414.db2.gz NGGDFYUKHCMGIK-TZMCWYRMSA-N 0 3 249.354 3.340 20 0 BGADHN CCC[C@H](N[C@H]1COC[C@@H]1C)c1ccsc1 ZINC000903393104 584756147 /nfs/dbraw/zinc/75/61/47/584756147.db2.gz GNLOBWXXHRFKOO-DRZSPHRISA-N 0 3 239.384 3.214 20 0 BGADHN CCC[C@H](N[C@@H]1COC[C@H]1C)c1ccsc1 ZINC000903393105 584756511 /nfs/dbraw/zinc/75/65/11/584756511.db2.gz GNLOBWXXHRFKOO-KGYLQXTDSA-N 0 3 239.384 3.214 20 0 BGADHN CCC[C@H](N[C@@H]1COC[C@@H]1C)c1ccsc1 ZINC000903393106 584756500 /nfs/dbraw/zinc/75/65/00/584756500.db2.gz GNLOBWXXHRFKOO-WCFLWFBJSA-N 0 3 239.384 3.214 20 0 BGADHN CCC[C@H](N[C@H]1COC[C@H]1C)c1ccsc1 ZINC000903393107 584756460 /nfs/dbraw/zinc/75/64/60/584756460.db2.gz GNLOBWXXHRFKOO-WXHSDQCUSA-N 0 3 239.384 3.214 20 0 BGADHN C[C@@H](N[C@@H]1CC=CC[C@H]1C)c1nccs1 ZINC000903412362 637359059 /nfs/dbraw/zinc/35/90/59/637359059.db2.gz DOTAPORWYXHICP-GMTAPVOTSA-N 0 3 222.357 3.148 20 0 BGADHN C[C@H](N[C@@H]1CC=CC[C@H]1C)c1nccs1 ZINC000903412363 637359419 /nfs/dbraw/zinc/35/94/19/637359419.db2.gz DOTAPORWYXHICP-OUAUKWLOSA-N 0 3 222.357 3.148 20 0 BGADHN C[C@@H]1CC=CC[C@H]1N[C@@H]1CCCc2scnc21 ZINC000903413282 584759738 /nfs/dbraw/zinc/75/97/38/584759738.db2.gz JYTCCXPTPPAFJP-IJLUTSLNSA-N 0 3 248.395 3.465 20 0 BGADHN C[C@@H]1CC=CC[C@H]1N[C@H]1CCCc2scnc21 ZINC000903413283 584759897 /nfs/dbraw/zinc/75/98/97/584759897.db2.gz JYTCCXPTPPAFJP-UTUOFQBUSA-N 0 3 248.395 3.465 20 0 BGADHN C[C@@H](N[C@@H]1CC=CC[C@H]1C)c1ccc(F)cn1 ZINC000903413472 584759774 /nfs/dbraw/zinc/75/97/74/584759774.db2.gz MUMAZBDVMKFQAY-NQBHXWOUSA-N 0 3 234.318 3.226 20 0 BGADHN C[C@H](N[C@@H]1CC=CC[C@H]1C)c1ccc(F)cn1 ZINC000903413473 584759976 /nfs/dbraw/zinc/75/99/76/584759976.db2.gz MUMAZBDVMKFQAY-NTZNESFSSA-N 0 3 234.318 3.226 20 0 BGADHN C[C@@H](N[C@@H]1CC=CC[C@H]1C)c1cscn1 ZINC000903413540 584759927 /nfs/dbraw/zinc/75/99/27/584759927.db2.gz NUZRJMFDSLSECW-GMTAPVOTSA-N 0 3 222.357 3.148 20 0 BGADHN C[C@H](N[C@@H]1CC=CC[C@H]1C)c1cscn1 ZINC000903413541 584759970 /nfs/dbraw/zinc/75/99/70/584759970.db2.gz NUZRJMFDSLSECW-OUAUKWLOSA-N 0 3 222.357 3.148 20 0 BGADHN COc1ccnc([C@H](C)N[C@@H]2CC=CC[C@H]2C)c1 ZINC000903414076 584759877 /nfs/dbraw/zinc/75/98/77/584759877.db2.gz UWAPIKVPIIHPKX-MBNYWOFBSA-N 0 3 246.354 3.096 20 0 BGADHN COc1ccnc([C@@H](C)N[C@@H]2CC=CC[C@H]2C)c1 ZINC000903414077 584759884 /nfs/dbraw/zinc/75/98/84/584759884.db2.gz UWAPIKVPIIHPKX-YRGRVCCFSA-N 0 3 246.354 3.096 20 0 BGADHN Cc1nc([C@@H](C)N[C@@H]2CC=CC[C@H]2C)cs1 ZINC000903414731 584759797 /nfs/dbraw/zinc/75/97/97/584759797.db2.gz XKVQWFKDSIWLNM-CKYFFXLPSA-N 0 3 236.384 3.457 20 0 BGADHN Cc1nc([C@H](C)N[C@@H]2CC=CC[C@H]2C)cs1 ZINC000903414732 584759987 /nfs/dbraw/zinc/75/99/87/584759987.db2.gz XKVQWFKDSIWLNM-JFGNBEQYSA-N 0 3 236.384 3.457 20 0 BGADHN Cc1nc2c(o1)CCC[C@H]2N[C@@H]1CC=CC[C@H]1C ZINC000903415198 584760381 /nfs/dbraw/zinc/76/03/81/584760381.db2.gz ZEPFXNIVKOCDHI-RAIGVLPGSA-N 0 3 246.354 3.305 20 0 BGADHN Cc1nc2c(o1)CCC[C@@H]2N[C@@H]1CC=CC[C@H]1C ZINC000903415199 584760148 /nfs/dbraw/zinc/76/01/48/584760148.db2.gz ZEPFXNIVKOCDHI-RTXFEEFZSA-N 0 3 246.354 3.305 20 0 BGADHN Cc1ccc([C@@H](C)NCCc2cccnc2C)o1 ZINC000903417207 584760303 /nfs/dbraw/zinc/76/03/03/584760303.db2.gz YTKONBDMXYKTJH-CYBMUJFWSA-N 0 3 244.338 3.185 20 0 BGADHN Cc1ccc([C@H](C)NCCc2cccnc2C)o1 ZINC000903417233 584760152 /nfs/dbraw/zinc/76/01/52/584760152.db2.gz YTKONBDMXYKTJH-ZDUSSCGKSA-N 0 3 244.338 3.185 20 0 BGADHN C[C@@H]1C[C@@H](NC2(C)C(C)(C)C2(C)C)c2nccn21 ZINC000903442150 584767554 /nfs/dbraw/zinc/76/75/54/584767554.db2.gz KPOCMUZRGZFPKR-GHMZBOCLSA-N 0 3 247.386 3.303 20 0 BGADHN C[C@@H]1C[C@H](NC2(C)C(C)(C)C2(C)C)c2nccn21 ZINC000903442151 584767387 /nfs/dbraw/zinc/76/73/87/584767387.db2.gz KPOCMUZRGZFPKR-MNOVXSKESA-N 0 3 247.386 3.303 20 0 BGADHN C[C@H]1C[C@H](NC2(C)C(C)(C)C2(C)C)c2nccn21 ZINC000903442152 584767433 /nfs/dbraw/zinc/76/74/33/584767433.db2.gz KPOCMUZRGZFPKR-QWRGUYRKSA-N 0 3 247.386 3.303 20 0 BGADHN C[C@H]1C[C@@H](NC2(C)C(C)(C)C2(C)C)c2nccn21 ZINC000903442153 584767446 /nfs/dbraw/zinc/76/74/46/584767446.db2.gz KPOCMUZRGZFPKR-WDEREUQCSA-N 0 3 247.386 3.303 20 0 BGADHN Cc1ncncc1[C@@H](C)NC1(C)C(C)(C)C1(C)C ZINC000903442327 584767581 /nfs/dbraw/zinc/76/75/81/584767581.db2.gz MZILYOOZFXBVIH-LLVKDONJSA-N 0 3 247.386 3.260 20 0 BGADHN Cc1ncncc1[C@H](C)NC1(C)C(C)(C)C1(C)C ZINC000903442328 584767383 /nfs/dbraw/zinc/76/73/83/584767383.db2.gz MZILYOOZFXBVIH-NSHDSACASA-N 0 3 247.386 3.260 20 0 BGADHN COc1ccc2c(c1)[C@H](NC/C=C/Cl)CC2 ZINC000903442519 584767332 /nfs/dbraw/zinc/76/73/32/584767332.db2.gz PPXAXMWNEPCUAV-DRRGCAIJSA-N 0 3 237.730 3.025 20 0 BGADHN COc1ccc2c(c1)[C@@H](NC/C=C\Cl)CC2 ZINC000903442520 584767652 /nfs/dbraw/zinc/76/76/52/584767652.db2.gz PPXAXMWNEPCUAV-MDVHNNDNSA-N 0 3 237.730 3.025 20 0 BGADHN COc1ccc2c(c1)[C@@H](NC/C=C/Cl)CC2 ZINC000903442521 584767183 /nfs/dbraw/zinc/76/71/83/584767183.db2.gz PPXAXMWNEPCUAV-VRMVNXKISA-N 0 3 237.730 3.025 20 0 BGADHN COc1ccc2c(c1)[C@H](NC/C=C\Cl)CC2 ZINC000903442522 584767550 /nfs/dbraw/zinc/76/75/50/584767550.db2.gz PPXAXMWNEPCUAV-WPRPQAPASA-N 0 3 237.730 3.025 20 0 BGADHN Fc1ccc2c(c1)CC[C@H]2NC/C=C\Cl ZINC000903442526 584768068 /nfs/dbraw/zinc/76/80/68/584768068.db2.gz PZTNYHYECWRSTA-CEOGKZTLSA-N 0 3 225.694 3.155 20 0 BGADHN Fc1ccc2c(c1)CC[C@H]2NC/C=C/Cl ZINC000903442527 584768042 /nfs/dbraw/zinc/76/80/42/584768042.db2.gz PZTNYHYECWRSTA-HLNGDGCFSA-N 0 3 225.694 3.155 20 0 BGADHN Fc1ccc2c(c1)CC[C@@H]2NC/C=C/Cl ZINC000903442528 584768259 /nfs/dbraw/zinc/76/82/59/584768259.db2.gz PZTNYHYECWRSTA-KSWOAECYSA-N 0 3 225.694 3.155 20 0 BGADHN Fc1ccc2c(c1)CC[C@@H]2NC/C=C\Cl ZINC000903442529 584768066 /nfs/dbraw/zinc/76/80/66/584768066.db2.gz PZTNYHYECWRSTA-VFANIBTQSA-N 0 3 225.694 3.155 20 0 BGADHN Cc1nccnc1[C@@H](C)NC1(C)C(C)(C)C1(C)C ZINC000903442539 584767965 /nfs/dbraw/zinc/76/79/65/584767965.db2.gz QJCRRTAVNFVLPG-LLVKDONJSA-N 0 3 247.386 3.260 20 0 BGADHN Cc1nccnc1[C@H](C)NC1(C)C(C)(C)C1(C)C ZINC000903442540 584768277 /nfs/dbraw/zinc/76/82/77/584768277.db2.gz QJCRRTAVNFVLPG-NSHDSACASA-N 0 3 247.386 3.260 20 0 BGADHN CC1(C)C(C)(C)C1(C)N[C@@H]1CCCn2ccnc21 ZINC000903442556 584768138 /nfs/dbraw/zinc/76/81/38/584768138.db2.gz QYADEKDUSBDSHH-LLVKDONJSA-N 0 3 247.386 3.132 20 0 BGADHN CC1(C)C(C)(C)C1(C)N[C@H]1CCCn2ccnc21 ZINC000903442557 584768046 /nfs/dbraw/zinc/76/80/46/584768046.db2.gz QYADEKDUSBDSHH-NSHDSACASA-N 0 3 247.386 3.132 20 0 BGADHN Cc1ccsc1[C@@H](C)NC/C=C\Cl ZINC000903442878 584767916 /nfs/dbraw/zinc/76/79/16/584767916.db2.gz XLAARKDAAZYHNB-AZVKUDOFSA-N 0 3 215.749 3.460 20 0 BGADHN Cc1ccsc1[C@@H](C)NC/C=C/Cl ZINC000903442879 584767874 /nfs/dbraw/zinc/76/78/74/584767874.db2.gz XLAARKDAAZYHNB-HYYFJVDXSA-N 0 3 215.749 3.460 20 0 BGADHN Cc1ccsc1[C@H](C)NC/C=C\Cl ZINC000903442880 584768225 /nfs/dbraw/zinc/76/82/25/584768225.db2.gz XLAARKDAAZYHNB-LVCFMKKZSA-N 0 3 215.749 3.460 20 0 BGADHN Cc1ccsc1[C@H](C)NC/C=C/Cl ZINC000903442881 584768116 /nfs/dbraw/zinc/76/81/16/584768116.db2.gz XLAARKDAAZYHNB-SGRBOOSSSA-N 0 3 215.749 3.460 20 0 BGADHN Cc1cc(C)c([C@@H](C)[NH2+]C/C=C\Cl)c([O-])c1 ZINC000903443073 584768280 /nfs/dbraw/zinc/76/82/80/584768280.db2.gz BEHUMBPSXJJBEJ-DOGVGXBMSA-N 0 3 239.746 3.412 20 0 BGADHN Cc1cc(C)c([C@@H](C)[NH2+]C/C=C/Cl)c([O-])c1 ZINC000903443074 584768152 /nfs/dbraw/zinc/76/81/52/584768152.db2.gz BEHUMBPSXJJBEJ-SGUJLRQBSA-N 0 3 239.746 3.412 20 0 BGADHN Cc1cc(C)c([C@H](C)[NH2+]C/C=C\Cl)c([O-])c1 ZINC000903443075 584768269 /nfs/dbraw/zinc/76/82/69/584768269.db2.gz BEHUMBPSXJJBEJ-WYGGZMRJSA-N 0 3 239.746 3.412 20 0 BGADHN Cc1cc(C)c([C@H](C)[NH2+]C/C=C/Cl)c([O-])c1 ZINC000903443076 584768285 /nfs/dbraw/zinc/76/82/85/584768285.db2.gz BEHUMBPSXJJBEJ-ZWNMCFTASA-N 0 3 239.746 3.412 20 0 BGADHN CC[C@@H]([NH2+]C/C=C\Cl)c1ccc(C)cc1[O-] ZINC000903443087 584768030 /nfs/dbraw/zinc/76/80/30/584768030.db2.gz BHOHIAJBHDRYMX-DJFZKKHWSA-N 0 3 239.746 3.494 20 0 BGADHN CC[C@H]([NH2+]C/C=C\Cl)c1ccc(C)cc1[O-] ZINC000903443088 584767920 /nfs/dbraw/zinc/76/79/20/584767920.db2.gz BHOHIAJBHDRYMX-KMSCOEIWSA-N 0 3 239.746 3.494 20 0 BGADHN CC[C@H]([NH2+]C/C=C/Cl)c1ccc(C)cc1[O-] ZINC000903443089 584768108 /nfs/dbraw/zinc/76/81/08/584768108.db2.gz BHOHIAJBHDRYMX-NTYUQYKDSA-N 0 3 239.746 3.494 20 0 BGADHN CC[C@@H]([NH2+]C/C=C/Cl)c1ccc(C)cc1[O-] ZINC000903443090 584768124 /nfs/dbraw/zinc/76/81/24/584768124.db2.gz BHOHIAJBHDRYMX-RPTYSRGTSA-N 0 3 239.746 3.494 20 0 BGADHN CCC[C@@H](NC/C=C\Cl)c1cccnc1 ZINC000903443097 584768004 /nfs/dbraw/zinc/76/80/04/584768004.db2.gz BKAARCJVEAKPQQ-DJFZKKHWSA-N 0 3 224.735 3.265 20 0 BGADHN CCC[C@H](NC/C=C\Cl)c1cccnc1 ZINC000903443098 584768072 /nfs/dbraw/zinc/76/80/72/584768072.db2.gz BKAARCJVEAKPQQ-KMSCOEIWSA-N 0 3 224.735 3.265 20 0 BGADHN CCC[C@H](NC/C=C/Cl)c1cccnc1 ZINC000903443099 584768089 /nfs/dbraw/zinc/76/80/89/584768089.db2.gz BKAARCJVEAKPQQ-NTYUQYKDSA-N 0 3 224.735 3.265 20 0 BGADHN CCC[C@@H](NC/C=C/Cl)c1cccnc1 ZINC000903443100 584768188 /nfs/dbraw/zinc/76/81/88/584768188.db2.gz BKAARCJVEAKPQQ-RPTYSRGTSA-N 0 3 224.735 3.265 20 0 BGADHN Cc1nc2c(s1)[C@H](NC/C=C/Cl)CCC2 ZINC000903443152 584768039 /nfs/dbraw/zinc/76/80/39/584768039.db2.gz CGQAFDBHMWMKGF-BSPAPZMXSA-N 0 3 242.775 3.171 20 0 BGADHN Cc1nc2c(s1)[C@H](NC/C=C\Cl)CCC2 ZINC000903443153 584768054 /nfs/dbraw/zinc/76/80/54/584768054.db2.gz CGQAFDBHMWMKGF-JVBZPZKUSA-N 0 3 242.775 3.171 20 0 BGADHN Cc1nc2c(s1)[C@@H](NC/C=C\Cl)CCC2 ZINC000903443154 584767780 /nfs/dbraw/zinc/76/77/80/584767780.db2.gz CGQAFDBHMWMKGF-RWIWAZIYSA-N 0 3 242.775 3.171 20 0 BGADHN Cc1nc2c(s1)[C@@H](NC/C=C/Cl)CCC2 ZINC000903443155 584767739 /nfs/dbraw/zinc/76/77/39/584767739.db2.gz CGQAFDBHMWMKGF-SWTNXBIASA-N 0 3 242.775 3.171 20 0 BGADHN Cc1ccc([C@H](C)NC/C=C\Cl)c(O)c1C ZINC000903443249 584767765 /nfs/dbraw/zinc/76/77/65/584767765.db2.gz DTKNDUGRZGWKTK-IBHLPDHGSA-N 0 3 239.746 3.412 20 0 BGADHN Cc1ccc([C@H](C)[NH2+]C/C=C\Cl)c([O-])c1C ZINC000903443249 584767763 /nfs/dbraw/zinc/76/77/63/584767763.db2.gz DTKNDUGRZGWKTK-IBHLPDHGSA-N 0 3 239.746 3.412 20 0 BGADHN Cc1ccc([C@@H](C)NC/C=C\Cl)c(O)c1C ZINC000903443250 584768134 /nfs/dbraw/zinc/76/81/34/584768134.db2.gz DTKNDUGRZGWKTK-MEQVVJDKSA-N 0 3 239.746 3.412 20 0 BGADHN Cc1ccc([C@@H](C)[NH2+]C/C=C\Cl)c([O-])c1C ZINC000903443250 584768133 /nfs/dbraw/zinc/76/81/33/584768133.db2.gz DTKNDUGRZGWKTK-MEQVVJDKSA-N 0 3 239.746 3.412 20 0 BGADHN Cc1ccc([C@@H](C)NC/C=C/Cl)c(O)c1C ZINC000903443251 584768157 /nfs/dbraw/zinc/76/81/57/584768157.db2.gz DTKNDUGRZGWKTK-TZOMUSMUSA-N 0 3 239.746 3.412 20 0 BGADHN Cc1ccc([C@@H](C)[NH2+]C/C=C/Cl)c([O-])c1C ZINC000903443251 584768155 /nfs/dbraw/zinc/76/81/55/584768155.db2.gz DTKNDUGRZGWKTK-TZOMUSMUSA-N 0 3 239.746 3.412 20 0 BGADHN Cc1ccc([C@H](C)NC/C=C/Cl)c(O)c1C ZINC000903443252 584768112 /nfs/dbraw/zinc/76/81/12/584768112.db2.gz DTKNDUGRZGWKTK-ZPMKCOPCSA-N 0 3 239.746 3.412 20 0 BGADHN Cc1ccc([C@H](C)[NH2+]C/C=C/Cl)c([O-])c1C ZINC000903443252 584768111 /nfs/dbraw/zinc/76/81/11/584768111.db2.gz DTKNDUGRZGWKTK-ZPMKCOPCSA-N 0 3 239.746 3.412 20 0 BGADHN C[C@@H](NC/C=C\Cl)c1ccccc1N(C)C ZINC000903443277 584768216 /nfs/dbraw/zinc/76/82/16/584768216.db2.gz FGNBEVUQRPFMDT-DHHDDZJSSA-N 0 3 238.762 3.156 20 0 BGADHN C[C@H](NC/C=C/Cl)c1ccccc1N(C)C ZINC000903443278 584768175 /nfs/dbraw/zinc/76/81/75/584768175.db2.gz FGNBEVUQRPFMDT-LAHYYIKRSA-N 0 3 238.762 3.156 20 0 BGADHN C[C@@H](NC/C=C/Cl)c1ccccc1N(C)C ZINC000903443279 584767783 /nfs/dbraw/zinc/76/77/83/584767783.db2.gz FGNBEVUQRPFMDT-OALRPVAKSA-N 0 3 238.762 3.156 20 0 BGADHN C[C@H](NC/C=C\Cl)c1ccccc1N(C)C ZINC000903443280 584768190 /nfs/dbraw/zinc/76/81/90/584768190.db2.gz FGNBEVUQRPFMDT-WDDYJBPVSA-N 0 3 238.762 3.156 20 0 BGADHN C[C@H](NC/C=C/Cl)c1ccc2c(c1)COC2 ZINC000903443338 584767878 /nfs/dbraw/zinc/76/78/78/584767878.db2.gz GOBPVLXJXJVPBI-FWYAXHSGSA-N 0 3 237.730 3.120 20 0 BGADHN C[C@@H](NC/C=C/Cl)c1ccc2c(c1)COC2 ZINC000903443339 584768006 /nfs/dbraw/zinc/76/80/06/584768006.db2.gz GOBPVLXJXJVPBI-JYBNPQIESA-N 0 3 237.730 3.120 20 0 BGADHN C[C@H](NC/C=C\Cl)c1ccc2c(c1)COC2 ZINC000903443340 584767998 /nfs/dbraw/zinc/76/79/98/584767998.db2.gz GOBPVLXJXJVPBI-ODTOEKCJSA-N 0 3 237.730 3.120 20 0 BGADHN C[C@@H](NC/C=C\Cl)c1ccc2c(c1)COC2 ZINC000903443341 584768091 /nfs/dbraw/zinc/76/80/91/584768091.db2.gz GOBPVLXJXJVPBI-XJIUSYNZSA-N 0 3 237.730 3.120 20 0 BGADHN Cc1cc([C@@H](C)NC/C=C/Cl)cs1 ZINC000903443490 584767748 /nfs/dbraw/zinc/76/77/48/584767748.db2.gz HIWGOVMZZDMUGX-CDAZIORVSA-N 0 3 215.749 3.460 20 0 BGADHN Cc1cc([C@H](C)NC/C=C/Cl)cs1 ZINC000903443491 584767989 /nfs/dbraw/zinc/76/79/89/584767989.db2.gz HIWGOVMZZDMUGX-NWALNABHSA-N 0 3 215.749 3.460 20 0 BGADHN Cc1cc([C@H](C)NC/C=C\Cl)cs1 ZINC000903443492 584768249 /nfs/dbraw/zinc/76/82/49/584768249.db2.gz HIWGOVMZZDMUGX-TYRPZCRBSA-N 0 3 215.749 3.460 20 0 BGADHN Cc1cc([C@@H](C)NC/C=C\Cl)cs1 ZINC000903443493 584768263 /nfs/dbraw/zinc/76/82/63/584768263.db2.gz HIWGOVMZZDMUGX-ZBJFTSOASA-N 0 3 215.749 3.460 20 0 BGADHN Cc1ccc([C@H](C)[NH2+]C/C=C\Cl)c([O-])c1 ZINC000903443561 584768798 /nfs/dbraw/zinc/76/87/98/584768798.db2.gz IHSWHQOLNNATIG-NWPZZWLHSA-N 0 3 225.719 3.104 20 0 BGADHN Cc1ccc([C@@H](C)[NH2+]C/C=C/Cl)c([O-])c1 ZINC000903443562 584768495 /nfs/dbraw/zinc/76/84/95/584768495.db2.gz IHSWHQOLNNATIG-QLCVYAKKSA-N 0 3 225.719 3.104 20 0 BGADHN Cc1ccc([C@@H](C)[NH2+]C/C=C\Cl)c([O-])c1 ZINC000903443563 584768774 /nfs/dbraw/zinc/76/87/74/584768774.db2.gz IHSWHQOLNNATIG-XICOKMJESA-N 0 3 225.719 3.104 20 0 BGADHN Cc1ccc([C@H](C)[NH2+]C/C=C/Cl)c([O-])c1 ZINC000903443564 584768981 /nfs/dbraw/zinc/76/89/81/584768981.db2.gz IHSWHQOLNNATIG-YVGDHZEHSA-N 0 3 225.719 3.104 20 0 BGADHN COC1([C@@H](C)NC/C=C\Cl)CCCCC1 ZINC000903444318 584769200 /nfs/dbraw/zinc/76/92/00/584769200.db2.gz OPZXYHRATAUYSP-DHHDDZJSSA-N 0 3 231.767 3.066 20 0 BGADHN COC1([C@H](C)NC/C=C/Cl)CCCCC1 ZINC000903444319 584769407 /nfs/dbraw/zinc/76/94/07/584769407.db2.gz OPZXYHRATAUYSP-LAHYYIKRSA-N 0 3 231.767 3.066 20 0 BGADHN COC1([C@@H](C)NC/C=C/Cl)CCCCC1 ZINC000903444320 584769116 /nfs/dbraw/zinc/76/91/16/584769116.db2.gz OPZXYHRATAUYSP-OALRPVAKSA-N 0 3 231.767 3.066 20 0 BGADHN COC1([C@H](C)NC/C=C\Cl)CCCCC1 ZINC000903444321 584769413 /nfs/dbraw/zinc/76/94/13/584769413.db2.gz OPZXYHRATAUYSP-WDDYJBPVSA-N 0 3 231.767 3.066 20 0 BGADHN COc1ccc([C@H](C)NC/C=C\Cl)c(C)c1 ZINC000903445135 584769477 /nfs/dbraw/zinc/76/94/77/584769477.db2.gz RWIPPVHXENUFGY-IBHLPDHGSA-N 0 3 239.746 3.407 20 0 BGADHN COc1ccc([C@@H](C)NC/C=C\Cl)c(C)c1 ZINC000903445137 584769621 /nfs/dbraw/zinc/76/96/21/584769621.db2.gz RWIPPVHXENUFGY-MEQVVJDKSA-N 0 3 239.746 3.407 20 0 BGADHN COc1ccc([C@@H](C)NC/C=C/Cl)c(C)c1 ZINC000903445139 584769270 /nfs/dbraw/zinc/76/92/70/584769270.db2.gz RWIPPVHXENUFGY-TZOMUSMUSA-N 0 3 239.746 3.407 20 0 BGADHN COc1ccc([C@H](C)NC/C=C/Cl)c(C)c1 ZINC000903445141 584769206 /nfs/dbraw/zinc/76/92/06/584769206.db2.gz RWIPPVHXENUFGY-ZPMKCOPCSA-N 0 3 239.746 3.407 20 0 BGADHN Cl/C=C/CN[C@@H](c1cccnc1)C1CCC1 ZINC000903445734 584770214 /nfs/dbraw/zinc/77/02/14/584770214.db2.gz UXSFSIRFGUHBMF-LPZVBRGNSA-N 0 3 236.746 3.265 20 0 BGADHN Cl/C=C/CN[C@H](c1cccnc1)C1CCC1 ZINC000903445735 584770164 /nfs/dbraw/zinc/77/01/64/584770164.db2.gz UXSFSIRFGUHBMF-MXPWBENCSA-N 0 3 236.746 3.265 20 0 BGADHN Cl/C=C\CN[C@H](c1cccnc1)C1CCC1 ZINC000903445736 584770268 /nfs/dbraw/zinc/77/02/68/584770268.db2.gz UXSFSIRFGUHBMF-QTEJZOKPSA-N 0 3 236.746 3.265 20 0 BGADHN Cl/C=C\CN[C@@H](c1cccnc1)C1CCC1 ZINC000903445737 584770128 /nfs/dbraw/zinc/77/01/28/584770128.db2.gz UXSFSIRFGUHBMF-RBWDJNPFSA-N 0 3 236.746 3.265 20 0 BGADHN Oc1ccc2c(c1)[C@H](NC/C=C/Cl)CCC2 ZINC000903445772 584770200 /nfs/dbraw/zinc/77/02/00/584770200.db2.gz VQDBFHXALWFCJV-DRRGCAIJSA-N 0 3 237.730 3.112 20 0 BGADHN Oc1ccc2c(c1)[C@@H](NC/C=C\Cl)CCC2 ZINC000903445773 584769789 /nfs/dbraw/zinc/76/97/89/584769789.db2.gz VQDBFHXALWFCJV-MDVHNNDNSA-N 0 3 237.730 3.112 20 0 BGADHN Oc1ccc2c(c1)[C@@H](NC/C=C/Cl)CCC2 ZINC000903445775 584770224 /nfs/dbraw/zinc/77/02/24/584770224.db2.gz VQDBFHXALWFCJV-VRMVNXKISA-N 0 3 237.730 3.112 20 0 BGADHN Oc1ccc2c(c1)[C@H](NC/C=C\Cl)CCC2 ZINC000903445777 584770171 /nfs/dbraw/zinc/77/01/71/584770171.db2.gz VQDBFHXALWFCJV-WPRPQAPASA-N 0 3 237.730 3.112 20 0 BGADHN Cc1ccc(O)c([C@H](C)NC/C=C\Cl)c1 ZINC000903445799 584769890 /nfs/dbraw/zinc/76/98/90/584769890.db2.gz VVJDRLXBUWNIQA-NWPZZWLHSA-N 0 3 225.719 3.104 20 0 BGADHN Cc1ccc([O-])c([C@H](C)[NH2+]C/C=C\Cl)c1 ZINC000903445799 584769889 /nfs/dbraw/zinc/76/98/89/584769889.db2.gz VVJDRLXBUWNIQA-NWPZZWLHSA-N 0 3 225.719 3.104 20 0 BGADHN Cc1ccc(O)c([C@@H](C)NC/C=C/Cl)c1 ZINC000903445800 584769879 /nfs/dbraw/zinc/76/98/79/584769879.db2.gz VVJDRLXBUWNIQA-QLCVYAKKSA-N 0 3 225.719 3.104 20 0 BGADHN Cc1ccc([O-])c([C@@H](C)[NH2+]C/C=C/Cl)c1 ZINC000903445800 584769878 /nfs/dbraw/zinc/76/98/78/584769878.db2.gz VVJDRLXBUWNIQA-QLCVYAKKSA-N 0 3 225.719 3.104 20 0 BGADHN Cc1ccc(O)c([C@@H](C)NC/C=C\Cl)c1 ZINC000903445802 584770392 /nfs/dbraw/zinc/77/03/92/584770392.db2.gz VVJDRLXBUWNIQA-XICOKMJESA-N 0 3 225.719 3.104 20 0 BGADHN Cc1ccc([O-])c([C@@H](C)[NH2+]C/C=C\Cl)c1 ZINC000903445802 584770390 /nfs/dbraw/zinc/77/03/90/584770390.db2.gz VVJDRLXBUWNIQA-XICOKMJESA-N 0 3 225.719 3.104 20 0 BGADHN Cc1ccc(O)c([C@H](C)NC/C=C/Cl)c1 ZINC000903445804 584770307 /nfs/dbraw/zinc/77/03/07/584770307.db2.gz VVJDRLXBUWNIQA-YVGDHZEHSA-N 0 3 225.719 3.104 20 0 BGADHN Cc1ccc([O-])c([C@H](C)[NH2+]C/C=C/Cl)c1 ZINC000903445804 584770306 /nfs/dbraw/zinc/77/03/06/584770306.db2.gz VVJDRLXBUWNIQA-YVGDHZEHSA-N 0 3 225.719 3.104 20 0 BGADHN C[C@@H](NC1(C2CCCCC2)CC1)c1ccnnc1 ZINC000903447653 584770491 /nfs/dbraw/zinc/77/04/91/584770491.db2.gz AOWSFKLLTKVPEC-GFCCVEGCSA-N 0 3 245.370 3.240 20 0 BGADHN C[C@H](NC1(C2CCCCC2)CC1)c1ccnnc1 ZINC000903447654 584770613 /nfs/dbraw/zinc/77/06/13/584770613.db2.gz AOWSFKLLTKVPEC-LBPRGKRZSA-N 0 3 245.370 3.240 20 0 BGADHN C[C@@H](NC1(C2CCCCC2)CC1)c1ccn(C)n1 ZINC000903447983 584770501 /nfs/dbraw/zinc/77/05/01/584770501.db2.gz HAVFIMOJSYIPAB-GFCCVEGCSA-N 0 3 247.386 3.184 20 0 BGADHN C[C@H](NC1(C2CCCCC2)CC1)c1ccn(C)n1 ZINC000903447984 584770454 /nfs/dbraw/zinc/77/04/54/584770454.db2.gz HAVFIMOJSYIPAB-LBPRGKRZSA-N 0 3 247.386 3.184 20 0 BGADHN c1cn2c(n1)[C@H](NC1(C3CCCCC3)CC1)CC2 ZINC000903448048 584770567 /nfs/dbraw/zinc/77/05/67/584770567.db2.gz IPWIMLVNVKWGCK-CYBMUJFWSA-N 0 3 245.370 3.030 20 0 BGADHN c1cn2c(n1)[C@@H](NC1(C3CCCCC3)CC1)CC2 ZINC000903448049 584770843 /nfs/dbraw/zinc/77/08/43/584770843.db2.gz IPWIMLVNVKWGCK-ZDUSSCGKSA-N 0 3 245.370 3.030 20 0 BGADHN C[C@@H](NC1(C2CCCCC2)CC1)c1ncc[nH]1 ZINC000903448099 584770769 /nfs/dbraw/zinc/77/07/69/584770769.db2.gz JRPRTBJIEFWHHO-LLVKDONJSA-N 0 3 233.359 3.173 20 0 BGADHN C[C@H](NC1(C2CCCCC2)CC1)c1ncc[nH]1 ZINC000903448100 584770540 /nfs/dbraw/zinc/77/05/40/584770540.db2.gz JRPRTBJIEFWHHO-NSHDSACASA-N 0 3 233.359 3.173 20 0 BGADHN C[C@@H](NC1(C2CCCCC2)CC1)c1cn(C)cn1 ZINC000903448514 584771193 /nfs/dbraw/zinc/77/11/93/584771193.db2.gz PFCWJRYJEIVCQE-GFCCVEGCSA-N 0 3 247.386 3.184 20 0 BGADHN C[C@H](NC1(C2CCCCC2)CC1)c1cn(C)cn1 ZINC000903448516 584771423 /nfs/dbraw/zinc/77/14/23/584771423.db2.gz PFCWJRYJEIVCQE-LBPRGKRZSA-N 0 3 247.386 3.184 20 0 BGADHN C[C@@H](NC1(C2CCCCC2)CC1)c1nccn1C ZINC000903448991 584771241 /nfs/dbraw/zinc/77/12/41/584771241.db2.gz UZKCBJYEPVFATB-GFCCVEGCSA-N 0 3 247.386 3.184 20 0 BGADHN C[C@H](NC1(C2CCCCC2)CC1)c1nccn1C ZINC000903448992 584771124 /nfs/dbraw/zinc/77/11/24/584771124.db2.gz UZKCBJYEPVFATB-LBPRGKRZSA-N 0 3 247.386 3.184 20 0 BGADHN C[C@@H](NC1(C2CCCCC2)CC1)c1cnccn1 ZINC000903449647 584771409 /nfs/dbraw/zinc/77/14/09/584771409.db2.gz YZBBFTLXTDSXAC-GFCCVEGCSA-N 0 3 245.370 3.240 20 0 BGADHN C[C@H](NC1(C2CCCCC2)CC1)c1cnccn1 ZINC000903449648 584771552 /nfs/dbraw/zinc/77/15/52/584771552.db2.gz YZBBFTLXTDSXAC-LBPRGKRZSA-N 0 3 245.370 3.240 20 0 BGADHN CCCCCC[C@@H](C)NCc1cc(N)ccn1 ZINC000903949688 584830099 /nfs/dbraw/zinc/83/00/99/584830099.db2.gz CZZOAJKNRXHVNT-GFCCVEGCSA-N 0 3 235.375 3.112 20 0 BGADHN CCCCCC[C@H](C)NCc1cc(N)ccn1 ZINC000903949691 584830137 /nfs/dbraw/zinc/83/01/37/584830137.db2.gz CZZOAJKNRXHVNT-LBPRGKRZSA-N 0 3 235.375 3.112 20 0 BGADHN C[C@H](CCC1CCCC1)NCc1cc(N)ccn1 ZINC000903949857 584830377 /nfs/dbraw/zinc/83/03/77/584830377.db2.gz FSPMJWVNAYDQGN-GFCCVEGCSA-N 0 3 247.386 3.112 20 0 BGADHN C[C@@H](CCC1CCCC1)NCc1cc(N)ccn1 ZINC000903949858 584830108 /nfs/dbraw/zinc/83/01/08/584830108.db2.gz FSPMJWVNAYDQGN-LBPRGKRZSA-N 0 3 247.386 3.112 20 0 BGADHN CC(C)C[C@@H](C)C[C@@H](C)NCc1cc(N)ccn1 ZINC000903951380 584830684 /nfs/dbraw/zinc/83/06/84/584830684.db2.gz XTSTYEXSXWUAPG-CHWSQXEVSA-N 0 3 249.402 3.214 20 0 BGADHN CC(C)C[C@@H](C)C[C@H](C)NCc1cc(N)ccn1 ZINC000903951381 584830611 /nfs/dbraw/zinc/83/06/11/584830611.db2.gz XTSTYEXSXWUAPG-OLZOCXBDSA-N 0 3 249.402 3.214 20 0 BGADHN CC(C)C[C@H](C)C[C@@H](C)NCc1cc(N)ccn1 ZINC000903951382 584830676 /nfs/dbraw/zinc/83/06/76/584830676.db2.gz XTSTYEXSXWUAPG-QWHCGFSZSA-N 0 3 249.402 3.214 20 0 BGADHN CC(C)C[C@H](C)C[C@H](C)NCc1cc(N)ccn1 ZINC000903951383 584831096 /nfs/dbraw/zinc/83/10/96/584831096.db2.gz XTSTYEXSXWUAPG-STQMWFEESA-N 0 3 249.402 3.214 20 0 BGADHN Nc1ccnc(CNCCC2CCCCCC2)c1 ZINC000903953194 584831746 /nfs/dbraw/zinc/83/17/46/584831746.db2.gz BYDKIOJNGFAASH-UHFFFAOYSA-N 0 3 247.386 3.114 20 0 BGADHN Nc1ccnc(CNCCCC2CCCCC2)c1 ZINC000903954731 584831963 /nfs/dbraw/zinc/83/19/63/584831963.db2.gz UMQCQFQMCICWFL-UHFFFAOYSA-N 0 3 247.386 3.114 20 0 BGADHN COc1ccc(CN[C@@H]2CC23CCCCC3)o1 ZINC000904440130 637411251 /nfs/dbraw/zinc/41/12/51/637411251.db2.gz XHANQTXGSSPYNP-GFCCVEGCSA-N 0 3 235.327 3.101 20 0 BGADHN COc1ccc(CN[C@H]2CC23CCCCC3)o1 ZINC000904440131 637410450 /nfs/dbraw/zinc/41/04/50/637410450.db2.gz XHANQTXGSSPYNP-LBPRGKRZSA-N 0 3 235.327 3.101 20 0 BGADHN CCc1onc(C)c1CN[C@H]1CC12CCCCC2 ZINC000904440431 637411759 /nfs/dbraw/zinc/41/17/59/637411759.db2.gz ZSQAPLQPNOSORI-AWEZNQCLSA-N 0 3 248.370 3.358 20 0 BGADHN CCc1onc(C)c1CN[C@@H]1CC12CCCCC2 ZINC000904440432 637411351 /nfs/dbraw/zinc/41/13/51/637411351.db2.gz ZSQAPLQPNOSORI-CQSZACIVSA-N 0 3 248.370 3.358 20 0 BGADHN CCCCOc1ccccc1-c1cnccc1N ZINC000904767361 637477061 /nfs/dbraw/zinc/47/70/61/637477061.db2.gz QZBHRLSHLQWIOO-UHFFFAOYSA-N 0 3 242.322 3.340 20 0 BGADHN Cc1cc(-c2ccc(F)c3c2CCNC3)co1 ZINC000904806075 637494149 /nfs/dbraw/zinc/49/41/49/637494149.db2.gz IEYXARWXLHHQKT-UHFFFAOYSA-N 0 3 231.270 3.040 20 0 BGADHN Cc1cocc1-c1ccc(F)c2c1CCNC2 ZINC000904807338 637493165 /nfs/dbraw/zinc/49/31/65/637493165.db2.gz WZRWDGPKEXGTAC-UHFFFAOYSA-N 0 3 231.270 3.040 20 0 BGADHN Fc1ccc(-c2cc[nH]c2)cc1CNC1CC1 ZINC000904843676 637503225 /nfs/dbraw/zinc/50/32/25/637503225.db2.gz OGGXIVCLQZUNOI-UHFFFAOYSA-N 0 3 230.286 3.073 20 0 BGADHN CCc1cccnc1-c1ccc(CN(C)C)s1 ZINC000904858324 637494850 /nfs/dbraw/zinc/49/48/50/637494850.db2.gz GJHBVCWOFDNHGH-UHFFFAOYSA-N 0 3 246.379 3.434 20 0 BGADHN CN(C)Cc1ccc(-c2ccc(F)cn2)s1 ZINC000904858374 637495458 /nfs/dbraw/zinc/49/54/58/637495458.db2.gz HIKUCYVLPVDRRQ-UHFFFAOYSA-N 0 3 236.315 3.011 20 0 BGADHN Cc1csc(-c2ccc(CN(C)C)s2)n1 ZINC000904858830 637498720 /nfs/dbraw/zinc/49/87/20/637498720.db2.gz KVTZDOGSQDIPOE-UHFFFAOYSA-N 0 3 238.381 3.242 20 0 BGADHN CN(C)Cc1ccc(-c2ncccc2F)s1 ZINC000904860012 637503891 /nfs/dbraw/zinc/50/38/91/637503891.db2.gz WLSBIBDJYAZDLN-UHFFFAOYSA-N 0 3 236.315 3.011 20 0 BGADHN CCc1cccc(-c2ccc(CN(C)C)s2)n1 ZINC000904864202 637513187 /nfs/dbraw/zinc/51/31/87/637513187.db2.gz CNAVADDABNKMAB-UHFFFAOYSA-N 0 3 246.379 3.434 20 0 BGADHN Cc1nc(C)c(-c2ccc(CN(C)C)s2)o1 ZINC000904864271 637513503 /nfs/dbraw/zinc/51/35/03/637513503.db2.gz FVCMFXHKZHVIAG-UHFFFAOYSA-N 0 3 236.340 3.082 20 0 BGADHN Cc1ncc(-c2ccc(CN(C)C)s2)s1 ZINC000904864573 637513086 /nfs/dbraw/zinc/51/30/86/637513086.db2.gz LCZSMUHTHRLOMQ-UHFFFAOYSA-N 0 3 238.381 3.242 20 0 BGADHN Cc1cccc(-c2ccc(CN(C)C)s2)n1 ZINC000904864610 637513645 /nfs/dbraw/zinc/51/36/45/637513645.db2.gz MPTJVSPPSQCZHX-UHFFFAOYSA-N 0 3 232.352 3.180 20 0 BGADHN Cc1cc(-c2ccc(CN(C)C)s2)sn1 ZINC000904864861 637513156 /nfs/dbraw/zinc/51/31/56/637513156.db2.gz OOTDNQZFCFFUEO-UHFFFAOYSA-N 0 3 238.381 3.242 20 0 BGADHN Cc1cnc(-c2ccc(CN(C)C)s2)c(C)c1 ZINC000904864930 637512949 /nfs/dbraw/zinc/51/29/49/637512949.db2.gz QEEAELOFVPUPKN-UHFFFAOYSA-N 0 3 246.379 3.489 20 0 BGADHN Cc1ccc(-c2ccc(CN(C)C)s2)nc1 ZINC000904865504 637512973 /nfs/dbraw/zinc/51/29/73/637512973.db2.gz ZLFACGKFIZSJKE-UHFFFAOYSA-N 0 3 232.352 3.180 20 0 BGADHN Cc1cccnc1-c1ccc(CN(C)C)s1 ZINC000904865507 637513381 /nfs/dbraw/zinc/51/33/81/637513381.db2.gz ZNCPRYMABOOTHF-UHFFFAOYSA-N 0 3 232.352 3.180 20 0 BGADHN CCCCNCc1nc(C(C)C)cs1 ZINC000906529403 638194816 /nfs/dbraw/zinc/19/48/16/638194816.db2.gz OJRSUCGDFXPEJM-UHFFFAOYSA-N 0 3 212.362 3.156 20 0 BGADHN CCCCNCc1cc(C(CC)CC)no1 ZINC000906529685 638194641 /nfs/dbraw/zinc/19/46/41/638194641.db2.gz SDGROBDFKXEHJA-UHFFFAOYSA-N 0 3 224.348 3.468 20 0 BGADHN CCCCNCc1nnc(-c2ccccc2)s1 ZINC000906530084 638190223 /nfs/dbraw/zinc/19/02/23/638190223.db2.gz XVIZXBFKQXVSKC-UHFFFAOYSA-N 0 3 247.367 3.095 20 0 BGADHN CCCCN1CC(C)(CC(F)(F)F)C1 ZINC000906530776 638197758 /nfs/dbraw/zinc/19/77/58/638197758.db2.gz BSPNITULHOBSNY-UHFFFAOYSA-N 0 3 209.255 3.061 20 0 BGADHN CCCCNCc1nsc2ccccc12 ZINC000906534883 638201692 /nfs/dbraw/zinc/20/16/92/638201692.db2.gz VTKZOIWZGUFHBQ-UHFFFAOYSA-N 0 3 220.341 3.186 20 0 BGADHN CCCCNCc1nc(-c2ccncc2)cs1 ZINC000906537579 638204262 /nfs/dbraw/zinc/20/42/62/638204262.db2.gz CIUFRYOUZZMEKW-UHFFFAOYSA-N 0 3 247.367 3.095 20 0 BGADHN CN(Cc1ccco1)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000906584580 638220203 /nfs/dbraw/zinc/22/02/03/638220203.db2.gz PWLIPZIOJFELOU-CABCVRRESA-N 0 3 245.297 3.407 20 0 BGADHN CN(Cc1ccco1)[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000906584581 638218901 /nfs/dbraw/zinc/21/89/01/638218901.db2.gz PWLIPZIOJFELOU-HUUCEWRRSA-N 0 3 245.297 3.407 20 0 BGADHN CN(Cc1ccoc1)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000906593447 638214089 /nfs/dbraw/zinc/21/40/89/638214089.db2.gz VYMBRKQEQRQZBD-CABCVRRESA-N 0 3 245.297 3.407 20 0 BGADHN CN(Cc1ccoc1)[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000906593449 638214270 /nfs/dbraw/zinc/21/42/70/638214270.db2.gz VYMBRKQEQRQZBD-HUUCEWRRSA-N 0 3 245.297 3.407 20 0 BGADHN Fc1cccc([C@@H]2C[C@@H]2N2CCC(F)CC2)c1 ZINC000906594418 638221712 /nfs/dbraw/zinc/22/17/12/638221712.db2.gz DQCUDKPKPQJWHF-KBPBESRZSA-N 0 3 237.293 3.116 20 0 BGADHN Fc1cccc([C@H]2C[C@@H]2N2CCC(F)CC2)c1 ZINC000906594419 638221107 /nfs/dbraw/zinc/22/11/07/638221107.db2.gz DQCUDKPKPQJWHF-KGLIPLIRSA-N 0 3 237.293 3.116 20 0 BGADHN Fc1cccc([C@@H]2C[C@H]2N2CCC(F)CC2)c1 ZINC000906594421 638221035 /nfs/dbraw/zinc/22/10/35/638221035.db2.gz DQCUDKPKPQJWHF-UONOGXRCSA-N 0 3 237.293 3.116 20 0 BGADHN Fc1cccc([C@H]2C[C@H]2N2CCC(F)CC2)c1 ZINC000906594426 638220996 /nfs/dbraw/zinc/22/09/96/638220996.db2.gz DQCUDKPKPQJWHF-ZIAGYGMSSA-N 0 3 237.293 3.116 20 0 BGADHN CN(C/C=C\Cl)CCCc1ccccc1 ZINC000915364105 641821988 /nfs/dbraw/zinc/82/19/88/641821988.db2.gz SDSMJMVFFDAVPP-POHAHGRESA-N 0 3 223.747 3.304 20 0 BGADHN CCN(C/C=C\Cl)CCc1ccccc1 ZINC000917059516 641997987 /nfs/dbraw/zinc/99/79/87/641997987.db2.gz GSHXFBGRVAANCM-POHAHGRESA-N 0 3 223.747 3.304 20 0 BGADHN Cc1cc(NCC2CCCCCCC2)nc(N)n1 ZINC000917093901 642007188 /nfs/dbraw/zinc/00/71/88/642007188.db2.gz VPPHTALIGUJROC-UHFFFAOYSA-N 0 3 248.374 3.140 20 0 BGADHN CCCCN(CN1CCSC1=O)[C@H](C)CC ZINC000917438613 642058949 /nfs/dbraw/zinc/05/89/49/642058949.db2.gz ZCQBMLDMTISEEK-LLVKDONJSA-N 0 3 244.404 3.013 20 0 BGADHN CCCCN(CN1CCSC1=O)[C@@H](C)CC ZINC000917438614 642058846 /nfs/dbraw/zinc/05/88/46/642058846.db2.gz ZCQBMLDMTISEEK-NSHDSACASA-N 0 3 244.404 3.013 20 0 BGADHN CCC/C=C/C(=O)Nc1ccccc1CN(C)C ZINC000920456020 642499528 /nfs/dbraw/zinc/49/95/28/642499528.db2.gz NBLPLYYKWPSDRS-IZZDOVSWSA-N 0 3 246.354 3.043 20 0 BGADHN CCC/C=C\C(=O)Nc1ccccc1CN(C)C ZINC000920456021 642500749 /nfs/dbraw/zinc/50/07/49/642500749.db2.gz NBLPLYYKWPSDRS-WDZFZDKYSA-N 0 3 246.354 3.043 20 0 BGADHN CCC/C=C\C(=O)Nc1cccc(CN(C)C)c1 ZINC000920456612 642500498 /nfs/dbraw/zinc/50/04/98/642500498.db2.gz BENBDSABJOHLKA-POHAHGRESA-N 0 3 246.354 3.043 20 0 BGADHN CCCCN(CCCC)Cn1cc(Cl)cn1 ZINC000921185409 642583184 /nfs/dbraw/zinc/58/31/84/642583184.db2.gz LFJAASZRBKJTSB-UHFFFAOYSA-N 0 3 243.782 3.396 20 0 BGADHN CCN(Cn1cc(Cl)cn1)C1CCCCC1 ZINC000921185536 642583251 /nfs/dbraw/zinc/58/32/51/642583251.db2.gz UVFAOTUMXDLJFH-UHFFFAOYSA-N 0 3 241.766 3.149 20 0 BGADHN CCCCN(Cn1cc(Cl)cn1)[C@H](C)CC ZINC000921185918 642582678 /nfs/dbraw/zinc/58/26/78/642582678.db2.gz CAKIHCOMWGDFCK-LLVKDONJSA-N 0 3 243.782 3.395 20 0 BGADHN CCCCN(Cn1cc(Cl)cn1)[C@@H](C)CC ZINC000921185920 642582608 /nfs/dbraw/zinc/58/26/08/642582608.db2.gz CAKIHCOMWGDFCK-NSHDSACASA-N 0 3 243.782 3.395 20 0 BGADHN CCC(CC)CN(CC)Cn1cc(Cl)cn1 ZINC000921186180 642583950 /nfs/dbraw/zinc/58/39/50/642583950.db2.gz KBKZHVHTAFDYDM-UHFFFAOYSA-N 0 3 243.782 3.252 20 0 BGADHN CCC(CC)N(Cn1cc(Cl)cn1)C1CC1 ZINC000921186853 642582918 /nfs/dbraw/zinc/58/29/18/642582918.db2.gz QLBIKTJKQQWJOI-UHFFFAOYSA-N 0 3 241.766 3.147 20 0 BGADHN CC(C)CCNCc1c(Cl)n[nH]c1C1CC1 ZINC000921473842 642632312 /nfs/dbraw/zinc/63/23/12/642632312.db2.gz DOTZJQQPMLDZES-UHFFFAOYSA-N 0 3 241.766 3.076 20 0 BGADHN CCCCCNCc1c(Cl)n[nH]c1C1CC1 ZINC000921474107 642632237 /nfs/dbraw/zinc/63/22/37/642632237.db2.gz MWRHSVCHKPSCMW-UHFFFAOYSA-N 0 3 241.766 3.220 20 0 BGADHN CCC[C@H]1C[C@H]1NCc1cc(C)cnc1Cl ZINC000921805765 643798328 /nfs/dbraw/zinc/79/83/28/643798328.db2.gz HSKKUJCBGUZTIA-CMPLNLGQSA-N 0 3 238.762 3.322 20 0 BGADHN CCC[C@H]1C[C@@H]1NCc1cc(C)cnc1Cl ZINC000921805766 643798212 /nfs/dbraw/zinc/79/82/12/643798212.db2.gz HSKKUJCBGUZTIA-JQWIXIFHSA-N 0 3 238.762 3.322 20 0 BGADHN CCC[C@@H]1C[C@@H]1NCc1cc(C)cnc1Cl ZINC000921805767 643797265 /nfs/dbraw/zinc/79/72/65/643797265.db2.gz HSKKUJCBGUZTIA-PWSUYJOCSA-N 0 3 238.762 3.322 20 0 BGADHN CCC[C@@H]1C[C@H]1NCc1cc(C)cnc1Cl ZINC000921805768 643798245 /nfs/dbraw/zinc/79/82/45/643798245.db2.gz HSKKUJCBGUZTIA-ZYHUDNBSSA-N 0 3 238.762 3.322 20 0 BGADHN Cc1cnc(Cl)c(CNC2(C3CC3)CC2)c1 ZINC000921841595 643807423 /nfs/dbraw/zinc/80/74/23/643807423.db2.gz HEBIFNUGTAVXDX-UHFFFAOYSA-N 0 3 236.746 3.076 20 0 BGADHN Cc1cnc(Cl)c(CNC2(C)CCC2)c1 ZINC000921933244 643828998 /nfs/dbraw/zinc/82/89/98/643828998.db2.gz KDCPHIQTBFMHFK-UHFFFAOYSA-N 0 3 224.735 3.076 20 0 BGADHN COc1ccc(CN[C@H](C)c2ccc[nH]2)c(C)c1 ZINC000921938996 643831088 /nfs/dbraw/zinc/83/10/88/643831088.db2.gz LZOVBSNVZVUEAY-GFCCVEGCSA-N 0 3 244.338 3.183 20 0 BGADHN COc1ccc(CN[C@@H](C)c2ccc[nH]2)c(C)c1 ZINC000921938997 643830570 /nfs/dbraw/zinc/83/05/70/643830570.db2.gz LZOVBSNVZVUEAY-LBPRGKRZSA-N 0 3 244.338 3.183 20 0 BGADHN CCc1[nH]nc(Cl)c1CNCCC=C(C)C ZINC000922045845 643853143 /nfs/dbraw/zinc/85/31/43/643853143.db2.gz BXUKAJVGJKPYKR-UHFFFAOYSA-N 0 3 241.766 3.071 20 0 BGADHN CC(C)=CCNCc1cn(C)nc1C1CCCC1 ZINC000922047058 643853910 /nfs/dbraw/zinc/85/39/10/643853910.db2.gz PLETZGIBEZUOJE-UHFFFAOYSA-N 0 3 247.386 3.134 20 0 BGADHN CC(C)=CCCNCc1cc(C)cnc1Cl ZINC000922047164 643854043 /nfs/dbraw/zinc/85/40/43/643854043.db2.gz PTMVRQZRDGAWQU-UHFFFAOYSA-N 0 3 238.762 3.489 20 0 BGADHN CC(C)=CCNCc1nccc2c1CCCC2 ZINC000922047264 643853882 /nfs/dbraw/zinc/85/38/82/643853882.db2.gz RDNDRQJKLIQYBQ-UHFFFAOYSA-N 0 3 230.355 3.016 20 0 BGADHN Cc1cnc(Cl)c(CN[C@@H]2CCC2(C)C)c1 ZINC000922130307 643867399 /nfs/dbraw/zinc/86/73/99/643867399.db2.gz XGRQPDNWHXBXSV-LLVKDONJSA-N 0 3 238.762 3.322 20 0 BGADHN Cc1cnc(Cl)c(CN[C@H]2CCC2(C)C)c1 ZINC000922130308 643867655 /nfs/dbraw/zinc/86/76/55/643867655.db2.gz XGRQPDNWHXBXSV-NSHDSACASA-N 0 3 238.762 3.322 20 0 BGADHN Cc1cnc(Cl)c(CNC2(C(C)C)CC2)c1 ZINC000922146683 643872148 /nfs/dbraw/zinc/87/21/48/643872148.db2.gz BHRJJPAMYQQMTO-UHFFFAOYSA-N 0 3 238.762 3.322 20 0 BGADHN c1cc(CNCC2=CCCCC2)n(C2CCC2)n1 ZINC000922151160 643873298 /nfs/dbraw/zinc/87/32/98/643873298.db2.gz HBAZXWBLGISWGO-UHFFFAOYSA-N 0 3 245.370 3.198 20 0 BGADHN c1nn(C2CCC2)cc1CNCC1=CCCCC1 ZINC000922151200 643873347 /nfs/dbraw/zinc/87/33/47/643873347.db2.gz ITUTZRXESRAFMU-UHFFFAOYSA-N 0 3 245.370 3.198 20 0 BGADHN CCC1(NCc2cc(C)cnc2Cl)CC1 ZINC000922152474 643873459 /nfs/dbraw/zinc/87/34/59/643873459.db2.gz DWDRAOYSCNOVOM-UHFFFAOYSA-N 0 3 224.735 3.076 20 0 BGADHN Cc1cnc(Cl)c(CNCCC(C)(F)F)c1 ZINC000922153417 643875594 /nfs/dbraw/zinc/87/55/94/643875594.db2.gz TZASRTSBMJDMGB-UHFFFAOYSA-N 0 3 248.704 3.178 20 0 BGADHN CC/C=C\CNCc1nccc2c1CCCC2 ZINC000922156116 643875650 /nfs/dbraw/zinc/87/56/50/643875650.db2.gz JZGOLGMWVKMTLG-UTCJRWHESA-N 0 3 230.355 3.016 20 0 BGADHN CC/C=C/CNCc1nccc2c1CCCC2 ZINC000922156117 643874866 /nfs/dbraw/zinc/87/48/66/643874866.db2.gz JZGOLGMWVKMTLG-ZZXKWVIFSA-N 0 3 230.355 3.016 20 0 BGADHN CC/C=C\CNCc1cn(C)nc1C1CCCC1 ZINC000922157808 643879554 /nfs/dbraw/zinc/87/95/54/643879554.db2.gz ZCZFURQBNFBVEM-DAXSKMNVSA-N 0 3 247.386 3.134 20 0 BGADHN CC/C=C/CNCc1cn(C)nc1C1CCCC1 ZINC000922157810 643878539 /nfs/dbraw/zinc/87/85/39/643878539.db2.gz ZCZFURQBNFBVEM-QPJJXVBHSA-N 0 3 247.386 3.134 20 0 BGADHN Cc1cnc(Cl)c(CNC2(C)CC=CC2)c1 ZINC000922224326 643910785 /nfs/dbraw/zinc/91/07/85/643910785.db2.gz LNNMIHKBPNQVEL-UHFFFAOYSA-N 0 3 236.746 3.242 20 0 BGADHN Cc1cnc(Cl)c(CNCCC(C)(C)F)c1 ZINC000922246278 643919276 /nfs/dbraw/zinc/91/92/76/643919276.db2.gz MPFPXSRKMHQMRN-UHFFFAOYSA-N 0 3 244.741 3.271 20 0 BGADHN C1=C(CNCc2nccc3c2CCCC3)CCC1 ZINC000922258954 643929626 /nfs/dbraw/zinc/92/96/26/643929626.db2.gz DNOODSQYDLUEJJ-UHFFFAOYSA-N 0 3 242.366 3.160 20 0 BGADHN Cc1cnc(Cl)c(CN[C@]2(C)CC2(C)C)c1 ZINC000922259960 643926019 /nfs/dbraw/zinc/92/60/19/643926019.db2.gz JVVDVUAGFRSKKH-CYBMUJFWSA-N 0 3 238.762 3.322 20 0 BGADHN Cc1cnc(Cl)c(CN[C@@]2(C)CC2(C)C)c1 ZINC000922259961 643926692 /nfs/dbraw/zinc/92/66/92/643926692.db2.gz JVVDVUAGFRSKKH-ZDUSSCGKSA-N 0 3 238.762 3.322 20 0 BGADHN Cc1cnc(Cl)c(CNC2CC(C)(C)C2)c1 ZINC000922268263 643936059 /nfs/dbraw/zinc/93/60/59/643936059.db2.gz ULCGPOXCTPQDNO-UHFFFAOYSA-N 0 3 238.762 3.322 20 0 BGADHN CSCc1ccc(CNCC(C)(C)F)cc1 ZINC000922299895 643959567 /nfs/dbraw/zinc/95/95/67/643959567.db2.gz HAFOOCNDPKBBLG-UHFFFAOYSA-N 0 3 241.375 3.387 20 0 BGADHN C=C/C=C\CCNCc1cc(C)cnc1Cl ZINC000922331197 643971037 /nfs/dbraw/zinc/97/10/37/643971037.db2.gz DDILMNAWUQNYFM-PLNGDYQASA-N 0 3 236.746 3.265 20 0 BGADHN C=C/C=C/CCNCc1cc(C)cnc1Cl ZINC000922331198 643972260 /nfs/dbraw/zinc/97/22/60/643972260.db2.gz DDILMNAWUQNYFM-SNAWJCMRSA-N 0 3 236.746 3.265 20 0 BGADHN CC(C)c1c[nH]c(CNCC[C@@H]2C[C@H]2C2CC2)n1 ZINC000922423550 643990235 /nfs/dbraw/zinc/99/02/35/643990235.db2.gz GCEDIQIPZUSRHM-OLZOCXBDSA-N 0 3 247.386 3.059 20 0 BGADHN c1nc(C2CC2)oc1CNCC[C@@H]1C[C@H]1C1CC1 ZINC000922425204 643993587 /nfs/dbraw/zinc/99/35/87/643993587.db2.gz WNMHYJHYEDEUOV-OCCSQVGLSA-N 0 3 246.354 3.078 20 0 BGADHN CC(C)c1c[nH]c(CNC[C@]23C[C@H]2CCCC3)n1 ZINC000922427771 643992517 /nfs/dbraw/zinc/99/25/17/643992517.db2.gz HDQRLLPHPYQRCD-DOMZBBRYSA-N 0 3 247.386 3.203 20 0 BGADHN CC(C)c1c[nH]c(CNC[C@@]23C[C@@H]2CCCC3)n1 ZINC000922427775 643992079 /nfs/dbraw/zinc/99/20/79/643992079.db2.gz HDQRLLPHPYQRCD-SWLSCSKDSA-N 0 3 247.386 3.203 20 0 BGADHN c1nc(C2CC2)oc1CNC[C@]12C[C@H]1CCCC2 ZINC000922430530 643993611 /nfs/dbraw/zinc/99/36/11/643993611.db2.gz WPLYJXGYFMYSHI-DOMZBBRYSA-N 0 3 246.354 3.222 20 0 BGADHN c1nc(C2CC2)oc1CNC[C@@]12C[C@@H]1CCCC2 ZINC000922430532 643993894 /nfs/dbraw/zinc/99/38/94/643993894.db2.gz WPLYJXGYFMYSHI-SWLSCSKDSA-N 0 3 246.354 3.222 20 0 BGADHN CC(C)c1c[nH]c(CNCC[C@@H]2CC[C@H]3C[C@H]32)n1 ZINC000922431926 643992313 /nfs/dbraw/zinc/99/23/13/643992313.db2.gz MIXZNJQVTUPJHQ-AVGNSLFASA-N 0 3 247.386 3.059 20 0 BGADHN CC(C)c1c[nH]c(CNCC[C@@H]2CC[C@@H]3C[C@@H]32)n1 ZINC000922431933 643991741 /nfs/dbraw/zinc/99/17/41/643991741.db2.gz MIXZNJQVTUPJHQ-YNEHKIRRSA-N 0 3 247.386 3.059 20 0 BGADHN c1nc(C2CC2)oc1CNCC[C@@H]1CC[C@H]2C[C@H]21 ZINC000922432037 643995206 /nfs/dbraw/zinc/99/52/06/643995206.db2.gz NXIWQFCCNASQAK-JKOKRWQUSA-N 0 3 246.354 3.078 20 0 BGADHN c1nc(C2CC2)oc1CNCC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000922432162 643995592 /nfs/dbraw/zinc/99/55/92/643995592.db2.gz NXIWQFCCNASQAK-ZKYQVNSYSA-N 0 3 246.354 3.078 20 0 BGADHN C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NCc1ccc(Cl)o1 ZINC000922509599 644008494 /nfs/dbraw/zinc/00/84/94/644008494.db2.gz BNAKGVUEZSRBCE-CZULRBLNSA-N 0 3 225.719 3.067 20 0 BGADHN CSc1ccc(CN[C@@H]2C[C@H]2[C@@H]2C[C@H]2C)o1 ZINC000922510171 644007485 /nfs/dbraw/zinc/00/74/85/644007485.db2.gz KWNVRHHZQIMVNP-KXGXSXBTSA-N 0 3 237.368 3.136 20 0 BGADHN c1cnc([C@@H](NCC2CCCCC2)C2CC2)nc1 ZINC000922582903 644034009 /nfs/dbraw/zinc/03/40/09/644034009.db2.gz PBUZNNLFGKRHGH-AWEZNQCLSA-N 0 3 245.370 3.098 20 0 BGADHN c1cnc([C@H](NCC2CCCCC2)C2CC2)nc1 ZINC000922582904 644034173 /nfs/dbraw/zinc/03/41/73/644034173.db2.gz PBUZNNLFGKRHGH-CQSZACIVSA-N 0 3 245.370 3.098 20 0 BGADHN CC(C)=CCN[C@H](c1ccccn1)C1CC1 ZINC000922585068 644036452 /nfs/dbraw/zinc/03/64/52/644036452.db2.gz QHQLCKTWNGYSRE-AWEZNQCLSA-N 0 3 216.328 3.089 20 0 BGADHN CC(C)=CCN[C@@H](c1ccccn1)C1CC1 ZINC000922585070 644035829 /nfs/dbraw/zinc/03/58/29/644035829.db2.gz QHQLCKTWNGYSRE-CQSZACIVSA-N 0 3 216.328 3.089 20 0 BGADHN c1ccc(CN[C@H](c2ccccn2)C2CC2)cc1 ZINC000922586507 644036226 /nfs/dbraw/zinc/03/62/26/644036226.db2.gz XQUAAKBNONEWAJ-INIZCTEOSA-N 0 3 238.334 3.323 20 0 BGADHN c1ccc(CN[C@@H](c2ccccn2)C2CC2)cc1 ZINC000922586508 644035567 /nfs/dbraw/zinc/03/55/67/644035567.db2.gz XQUAAKBNONEWAJ-MRXNPFEDSA-N 0 3 238.334 3.323 20 0 BGADHN Cc1cnccc1CNC(C)(C)/C=C/Cl ZINC000922644588 644049657 /nfs/dbraw/zinc/04/96/57/644049657.db2.gz JDUPOOVVSCLJMK-AATRIKPKSA-N 0 3 224.735 3.011 20 0 BGADHN Cc1cnccc1CNC(C)(C)/C=C\Cl ZINC000922644589 644048935 /nfs/dbraw/zinc/04/89/35/644048935.db2.gz JDUPOOVVSCLJMK-WAYWQWQTSA-N 0 3 224.735 3.011 20 0 BGADHN CC(C)(/C=C/Cl)NCc1[nH]nc2ccccc21 ZINC000922647363 644050659 /nfs/dbraw/zinc/05/06/59/644050659.db2.gz AUSAWVZYTUOMJN-BQYQJAHWSA-N 0 3 249.745 3.184 20 0 BGADHN CC(C)(/C=C/Cl)NCc1n[nH]c2ccccc21 ZINC000922647363 644050655 /nfs/dbraw/zinc/05/06/55/644050655.db2.gz AUSAWVZYTUOMJN-BQYQJAHWSA-N 0 3 249.745 3.184 20 0 BGADHN CC(C)(/C=C\Cl)NCc1[nH]nc2ccccc21 ZINC000922647365 644051422 /nfs/dbraw/zinc/05/14/22/644051422.db2.gz AUSAWVZYTUOMJN-FPLPWBNLSA-N 0 3 249.745 3.184 20 0 BGADHN CC(C)(/C=C\Cl)NCc1n[nH]c2ccccc21 ZINC000922647365 644051418 /nfs/dbraw/zinc/05/14/18/644051418.db2.gz AUSAWVZYTUOMJN-FPLPWBNLSA-N 0 3 249.745 3.184 20 0 BGADHN Cc1nc(C)c(CNC(C)(C)/C=C/Cl)s1 ZINC000922647917 644052358 /nfs/dbraw/zinc/05/23/58/644052358.db2.gz FFIJCPSTSRERDN-AATRIKPKSA-N 0 3 244.791 3.381 20 0 BGADHN Cc1nc(C)c(CNC(C)(C)/C=C\Cl)s1 ZINC000922647918 644053296 /nfs/dbraw/zinc/05/32/96/644053296.db2.gz FFIJCPSTSRERDN-WAYWQWQTSA-N 0 3 244.791 3.381 20 0 BGADHN CC(C)(/C=C/Cl)NCc1ccc2c[nH]nc2c1 ZINC000922648240 644052376 /nfs/dbraw/zinc/05/23/76/644052376.db2.gz FTZHMAPKRKNTNT-AATRIKPKSA-N 0 3 249.745 3.184 20 0 BGADHN CC(C)(/C=C\Cl)NCc1ccc2c[nH]nc2c1 ZINC000922648241 644053013 /nfs/dbraw/zinc/05/30/13/644053013.db2.gz FTZHMAPKRKNTNT-WAYWQWQTSA-N 0 3 249.745 3.184 20 0 BGADHN Cc1ccncc1CNC(C)(C)/C=C/Cl ZINC000922648268 644052901 /nfs/dbraw/zinc/05/29/01/644052901.db2.gz GRDWJUUKOAPKMP-AATRIKPKSA-N 0 3 224.735 3.011 20 0 BGADHN Cc1ccncc1CNC(C)(C)/C=C\Cl ZINC000922648269 644053259 /nfs/dbraw/zinc/05/32/59/644053259.db2.gz GRDWJUUKOAPKMP-WAYWQWQTSA-N 0 3 224.735 3.011 20 0 BGADHN COc1cccc(CNC(C)(C)/C=C/Cl)c1 ZINC000922649086 644052349 /nfs/dbraw/zinc/05/23/49/644052349.db2.gz CKAOCLDCEMTFDU-BQYQJAHWSA-N 0 3 239.746 3.316 20 0 BGADHN COc1cccc(CNC(C)(C)/C=C\Cl)c1 ZINC000922649087 644054192 /nfs/dbraw/zinc/05/41/92/644054192.db2.gz CKAOCLDCEMTFDU-FPLPWBNLSA-N 0 3 239.746 3.316 20 0 BGADHN CC(C)(/C=C/Cl)NCc1ccc2[nH]cnc2c1 ZINC000922649134 644055079 /nfs/dbraw/zinc/05/50/79/644055079.db2.gz SMVOZSHNWAPLBL-AATRIKPKSA-N 0 3 249.745 3.184 20 0 BGADHN CC(C)(/C=C\Cl)NCc1ccc2[nH]cnc2c1 ZINC000922649135 644054353 /nfs/dbraw/zinc/05/43/53/644054353.db2.gz SMVOZSHNWAPLBL-WAYWQWQTSA-N 0 3 249.745 3.184 20 0 BGADHN Cc1ncccc1CNC(C)(C)/C=C\Cl ZINC000922649484 644049736 /nfs/dbraw/zinc/04/97/36/644049736.db2.gz WSWLDEZJKUXEIO-SREVYHEPSA-N 0 3 224.735 3.011 20 0 BGADHN Cc1ncccc1CNC(C)(C)/C=C/Cl ZINC000922649485 644048679 /nfs/dbraw/zinc/04/86/79/644048679.db2.gz WSWLDEZJKUXEIO-VOTSOKGWSA-N 0 3 224.735 3.011 20 0 BGADHN CC(C)(/C=C/Cl)NCc1ccccc1 ZINC000922650690 644058447 /nfs/dbraw/zinc/05/84/47/644058447.db2.gz RDGDUKPRCWKLOQ-CMDGGOBGSA-N 0 3 209.720 3.307 20 0 BGADHN CC(C)(/C=C\Cl)NCc1ccccc1 ZINC000922650691 644057453 /nfs/dbraw/zinc/05/74/53/644057453.db2.gz RDGDUKPRCWKLOQ-HJWRWDBZSA-N 0 3 209.720 3.307 20 0 BGADHN CC(C)(/C=C/Cl)NCc1cccs1 ZINC000922651063 644057190 /nfs/dbraw/zinc/05/71/90/644057190.db2.gz SONWKWOMHSMYGO-AATRIKPKSA-N 0 3 215.749 3.369 20 0 BGADHN CC(C)(/C=C\Cl)NCc1cccs1 ZINC000922651064 644057381 /nfs/dbraw/zinc/05/73/81/644057381.db2.gz SONWKWOMHSMYGO-WAYWQWQTSA-N 0 3 215.749 3.369 20 0 BGADHN CC(C)(/C=C\Cl)NCc1ccsc1 ZINC000922651099 644057323 /nfs/dbraw/zinc/05/73/23/644057323.db2.gz UIKOYIHXZIGERR-PLNGDYQASA-N 0 3 215.749 3.369 20 0 BGADHN CC(C)(/C=C/Cl)NCc1ccsc1 ZINC000922651100 644057255 /nfs/dbraw/zinc/05/72/55/644057255.db2.gz UIKOYIHXZIGERR-SNAWJCMRSA-N 0 3 215.749 3.369 20 0 BGADHN COc1ccc(CNC(C)(C)/C=C/Cl)cc1 ZINC000922651140 644058329 /nfs/dbraw/zinc/05/83/29/644058329.db2.gz VIDZWTCWOALSKL-CMDGGOBGSA-N 0 3 239.746 3.316 20 0 BGADHN COc1ccc(CNC(C)(C)/C=C\Cl)cc1 ZINC000922651141 644057577 /nfs/dbraw/zinc/05/75/77/644057577.db2.gz VIDZWTCWOALSKL-HJWRWDBZSA-N 0 3 239.746 3.316 20 0 BGADHN Cc1cc(F)ccc1[C@@H](C)NCc1cccn1C ZINC000922665258 711975177 /nfs/dbraw/zinc/97/51/77/711975177.db2.gz KDRVNVSOCILEFG-GFCCVEGCSA-N 0 3 246.329 3.323 20 0 BGADHN Cc1cc(F)ccc1[C@@H](C)NCc1ccncc1 ZINC000922665637 711975339 /nfs/dbraw/zinc/97/53/39/711975339.db2.gz QUFDAWRWKFGQIH-GFCCVEGCSA-N 0 3 244.313 3.380 20 0 BGADHN Cc1cc(F)ccc1[C@@H](C)NCc1cc[nH]c1 ZINC000922666710 644063671 /nfs/dbraw/zinc/06/36/71/644063671.db2.gz GGGUBJYELOIFNY-LLVKDONJSA-N 0 3 232.302 3.313 20 0 BGADHN Cc1cc(F)ccc1[C@H](C)NCc1cc[nH]c1 ZINC000922666857 644063933 /nfs/dbraw/zinc/06/39/33/644063933.db2.gz GGGUBJYELOIFNY-NSHDSACASA-N 0 3 232.302 3.313 20 0 BGADHN Cc1cc(F)ccc1[C@H](C)NCc1cccn1C ZINC000922670534 644064536 /nfs/dbraw/zinc/06/45/36/644064536.db2.gz KDRVNVSOCILEFG-LBPRGKRZSA-N 0 3 246.329 3.323 20 0 BGADHN Cc1cc(F)ccc1[C@H](C)NCc1ccncc1 ZINC000922671464 644063734 /nfs/dbraw/zinc/06/37/34/644063734.db2.gz QUFDAWRWKFGQIH-LBPRGKRZSA-N 0 3 244.313 3.380 20 0 BGADHN C1=CCC(CCNCc2nc3c(s2)CCC3)C1 ZINC000922733731 644082705 /nfs/dbraw/zinc/08/27/05/644082705.db2.gz UOWXZSJXRLVDBV-UHFFFAOYSA-N 0 3 248.395 3.078 20 0 BGADHN C1=CCC(CCNCc2nc3ccccc3o2)C1 ZINC000922734343 644083320 /nfs/dbraw/zinc/08/33/20/644083320.db2.gz FDUAHWCUEADMFR-UHFFFAOYSA-N 0 3 242.322 3.274 20 0 BGADHN Cc1ccc(CNC[C@@H]2CCCC3(CCC3)O2)o1 ZINC000922804960 644098330 /nfs/dbraw/zinc/09/83/30/644098330.db2.gz IBJXHGYXYXRTJI-AWEZNQCLSA-N 0 3 249.354 3.169 20 0 BGADHN Cc1ccc(CNC[C@H]2CCCC3(CCC3)O2)o1 ZINC000922804961 644097940 /nfs/dbraw/zinc/09/79/40/644097940.db2.gz IBJXHGYXYXRTJI-CQSZACIVSA-N 0 3 249.354 3.169 20 0 BGADHN Cc1coc(CNC[C@H]2CCCC3(CCC3)O2)c1 ZINC000922809681 644101341 /nfs/dbraw/zinc/10/13/41/644101341.db2.gz CVJDPTGMWVPJOY-CYBMUJFWSA-N 0 3 249.354 3.169 20 0 BGADHN Cc1coc(CNC[C@@H]2CCCC3(CCC3)O2)c1 ZINC000922809683 644101237 /nfs/dbraw/zinc/10/12/37/644101237.db2.gz CVJDPTGMWVPJOY-ZDUSSCGKSA-N 0 3 249.354 3.169 20 0 BGADHN Cc1occc1CNC[C@@H]1CCCC2(CCC2)O1 ZINC000922811079 644099578 /nfs/dbraw/zinc/09/95/78/644099578.db2.gz IQYXBKCPPSJDHP-AWEZNQCLSA-N 0 3 249.354 3.169 20 0 BGADHN Cc1occc1CNC[C@H]1CCCC2(CCC2)O1 ZINC000922811081 644099373 /nfs/dbraw/zinc/09/93/73/644099373.db2.gz IQYXBKCPPSJDHP-CQSZACIVSA-N 0 3 249.354 3.169 20 0 BGADHN Cc1ccoc1CNC[C@H]1CCCC2(CCC2)O1 ZINC000922811543 644099805 /nfs/dbraw/zinc/09/98/05/644099805.db2.gz KTMVYKHWRQPJCX-CYBMUJFWSA-N 0 3 249.354 3.169 20 0 BGADHN Cc1ccoc1CNC[C@@H]1CCCC2(CCC2)O1 ZINC000922811545 644099264 /nfs/dbraw/zinc/09/92/64/644099264.db2.gz KTMVYKHWRQPJCX-ZDUSSCGKSA-N 0 3 249.354 3.169 20 0 BGADHN CCC[C@H](O)CCNCc1ccsc1Cl ZINC000922820303 644110736 /nfs/dbraw/zinc/11/07/36/644110736.db2.gz HMHIWRCDSHUEJE-JTQLQIEISA-N 0 3 247.791 3.042 20 0 BGADHN CCC[C@@H](O)CCNCc1ccsc1Cl ZINC000922820309 644110725 /nfs/dbraw/zinc/11/07/25/644110725.db2.gz HMHIWRCDSHUEJE-SNVBAGLBSA-N 0 3 247.791 3.042 20 0 BGADHN CCC[C@@H](O)CCNCc1sccc1Cl ZINC000922822868 644111607 /nfs/dbraw/zinc/11/16/07/644111607.db2.gz UTFXQRLLTXOEBA-SECBINFHSA-N 0 3 247.791 3.042 20 0 BGADHN CCC[C@H](O)CCNCc1sccc1Cl ZINC000922822869 644112167 /nfs/dbraw/zinc/11/21/67/644112167.db2.gz UTFXQRLLTXOEBA-VIFPVBQESA-N 0 3 247.791 3.042 20 0 BGADHN CCC[C@H](O)CCNCc1cscc1Cl ZINC000922824119 644101372 /nfs/dbraw/zinc/10/13/72/644101372.db2.gz YKGDLPXHGKVQFV-JTQLQIEISA-N 0 3 247.791 3.042 20 0 BGADHN CCC[C@@H](O)CCNCc1cscc1Cl ZINC000922824120 644100673 /nfs/dbraw/zinc/10/06/73/644100673.db2.gz YKGDLPXHGKVQFV-SNVBAGLBSA-N 0 3 247.791 3.042 20 0 BGADHN c1ccc2oc(CNC[C@]34C[C@H]3CCC4)nc2c1 ZINC000922961622 644202024 /nfs/dbraw/zinc/20/20/24/644202024.db2.gz CAXMDVPWOYTQDO-ABAIWWIYSA-N 0 3 242.322 3.108 20 0 BGADHN CC(C)n1ccnc1CNCC1CCC=CCC1 ZINC000922966024 644200496 /nfs/dbraw/zinc/20/04/96/644200496.db2.gz HRWOBXGGPJBOLW-UHFFFAOYSA-N 0 3 247.386 3.300 20 0 BGADHN Cc1nc(CNCC2CCC=CCC2)cs1 ZINC000922966104 644201389 /nfs/dbraw/zinc/20/13/89/644201389.db2.gz FWNISQWGKVIPFK-UHFFFAOYSA-N 0 3 236.384 3.288 20 0 BGADHN CC(C)c1c[nH]c(CNCC2CCC=CCC2)n1 ZINC000922966661 644202586 /nfs/dbraw/zinc/20/25/86/644202586.db2.gz ZOSDGKVUPXFUMJ-UHFFFAOYSA-N 0 3 247.386 3.369 20 0 BGADHN Cc1cnc(Cl)c(CN[C@]23C[C@H]2CCC3)c1 ZINC000923023513 644235014 /nfs/dbraw/zinc/23/50/14/644235014.db2.gz KZDRWEBSIYWWDW-DGCLKSJQSA-N 0 3 236.746 3.076 20 0 BGADHN Fc1ccccc1CNC1([C@@H]2CCCCO2)CC1 ZINC000923028457 644241374 /nfs/dbraw/zinc/24/13/74/644241374.db2.gz XNCYENRANJJYCH-AWEZNQCLSA-N 0 3 249.329 3.017 20 0 BGADHN Fc1ccccc1CNC1([C@H]2CCCCO2)CC1 ZINC000923028458 644241707 /nfs/dbraw/zinc/24/17/07/644241707.db2.gz XNCYENRANJJYCH-CQSZACIVSA-N 0 3 249.329 3.017 20 0 BGADHN Cc1cc(CNC2([C@@H]3CCCCO3)CC2)c(C)o1 ZINC000923029847 644241569 /nfs/dbraw/zinc/24/15/69/644241569.db2.gz KYTSIRIIZLYSGX-AWEZNQCLSA-N 0 3 249.354 3.088 20 0 BGADHN Cc1cc(CNC2([C@H]3CCCCO3)CC2)c(C)o1 ZINC000923029850 644242356 /nfs/dbraw/zinc/24/23/56/644242356.db2.gz KYTSIRIIZLYSGX-CQSZACIVSA-N 0 3 249.354 3.088 20 0 BGADHN CCC[C@H](C)N[C@@H]1CCCc2oc(C)nc21 ZINC000924524853 646046620 /nfs/dbraw/zinc/04/66/20/646046620.db2.gz CKLGPXQYOYRCJW-GXSJLCMTSA-N 0 3 222.332 3.139 20 0 BGADHN CCC[C@@H](C)N[C@H]1CCCc2oc(C)nc21 ZINC000924524854 646046846 /nfs/dbraw/zinc/04/68/46/646046846.db2.gz CKLGPXQYOYRCJW-KOLCDFICSA-N 0 3 222.332 3.139 20 0 BGADHN CCC[C@@H](C)N[C@@H]1CCCc2oc(C)nc21 ZINC000924524855 646045734 /nfs/dbraw/zinc/04/57/34/646045734.db2.gz CKLGPXQYOYRCJW-MWLCHTKSSA-N 0 3 222.332 3.139 20 0 BGADHN CCC[C@H](C)N[C@H]1CCCc2oc(C)nc21 ZINC000924524856 646045306 /nfs/dbraw/zinc/04/53/06/646045306.db2.gz CKLGPXQYOYRCJW-ONGXEEELSA-N 0 3 222.332 3.139 20 0 BGADHN CCC[C@@H](C)[NH2+][C@H](C)c1cc([O-])cc(F)c1 ZINC000924527830 646048038 /nfs/dbraw/zinc/04/80/38/646048038.db2.gz KIWPCJJYKYSBOG-NXEZZACHSA-N 0 3 225.307 3.371 20 0 BGADHN CCC[C@H](C)[NH2+][C@@H](C)c1cc([O-])cc(F)c1 ZINC000924527832 646048671 /nfs/dbraw/zinc/04/86/71/646048671.db2.gz KIWPCJJYKYSBOG-UWVGGRQHSA-N 0 3 225.307 3.371 20 0 BGADHN CCC[C@H](C)[NH2+][C@H](C)c1cc([O-])cc(F)c1 ZINC000924527833 646047546 /nfs/dbraw/zinc/04/75/46/646047546.db2.gz KIWPCJJYKYSBOG-VHSXEESVSA-N 0 3 225.307 3.371 20 0 BGADHN CCC[C@@H](C)[NH2+][C@@H](C)c1cc([O-])cc(F)c1 ZINC000924527834 646047582 /nfs/dbraw/zinc/04/75/82/646047582.db2.gz KIWPCJJYKYSBOG-ZJUUUORDSA-N 0 3 225.307 3.371 20 0 BGADHN Cc1ccc([C@H](NC2CC2)c2cccnc2)cc1 ZINC000924528512 632697590 /nfs/dbraw/zinc/69/75/90/632697590.db2.gz ISQITGCGOGJDKZ-INIZCTEOSA-N 0 3 238.334 3.231 20 0 BGADHN Cc1ccc([C@@H](NC2CC2)c2cccnc2)cc1 ZINC000924528513 632698076 /nfs/dbraw/zinc/69/80/76/632698076.db2.gz ISQITGCGOGJDKZ-MRXNPFEDSA-N 0 3 238.334 3.231 20 0 BGADHN Cc1cccc2c1[C@@H](NCc1cccnc1)CC2 ZINC000924533476 646052950 /nfs/dbraw/zinc/05/29/50/646052950.db2.gz KTVCEMLRQDNLQZ-HNNXBMFYSA-N 0 3 238.334 3.167 20 0 BGADHN Cc1cccc2c1[C@H](NCc1cccnc1)CC2 ZINC000924533477 646052072 /nfs/dbraw/zinc/05/20/72/646052072.db2.gz KTVCEMLRQDNLQZ-OAHLLOKOSA-N 0 3 238.334 3.167 20 0 BGADHN C[C@H](NC1CC1)c1cc(-c2ccccc2)no1 ZINC000924533661 646053044 /nfs/dbraw/zinc/05/30/44/646053044.db2.gz ZVZBMUIXMIYBGT-JTQLQIEISA-N 0 3 228.295 3.155 20 0 BGADHN C[C@@H](NC1CC1)c1cc(-c2ccccc2)no1 ZINC000924533662 646053588 /nfs/dbraw/zinc/05/35/88/646053588.db2.gz ZVZBMUIXMIYBGT-SNVBAGLBSA-N 0 3 228.295 3.155 20 0 BGADHN C[C@@H]([NH2+]C1CCCC1)c1cc([O-])cc(F)c1 ZINC000924534155 646053287 /nfs/dbraw/zinc/05/32/87/646053287.db2.gz KDLZZHBNOXIELN-SECBINFHSA-N 0 3 223.291 3.125 20 0 BGADHN C[C@H]([NH2+]C1CCCC1)c1cc([O-])cc(F)c1 ZINC000924534157 646052143 /nfs/dbraw/zinc/05/21/43/646052143.db2.gz KDLZZHBNOXIELN-VIFPVBQESA-N 0 3 223.291 3.125 20 0 BGADHN Cc1nonc1[C@H](C)NC1CCCCCCC1 ZINC000924534729 632761497 /nfs/dbraw/zinc/76/14/97/632761497.db2.gz NAZSODRJWSHKCD-JTQLQIEISA-N 0 3 237.347 3.142 20 0 BGADHN Cc1nonc1[C@@H](C)NC1CCCCCCC1 ZINC000924534732 632762848 /nfs/dbraw/zinc/76/28/48/632762848.db2.gz NAZSODRJWSHKCD-SNVBAGLBSA-N 0 3 237.347 3.142 20 0 BGADHN CCC(CC)N[C@@H]1CCCc2oc(C)nc21 ZINC000924534935 646053305 /nfs/dbraw/zinc/05/33/05/646053305.db2.gz OJHHHGVWGGSXFQ-LLVKDONJSA-N 0 3 222.332 3.139 20 0 BGADHN CCC(CC)N[C@H]1CCCc2oc(C)nc21 ZINC000924534939 646052453 /nfs/dbraw/zinc/05/24/53/646052453.db2.gz OJHHHGVWGGSXFQ-NSHDSACASA-N 0 3 222.332 3.139 20 0 BGADHN COc1cc([C@@H](C)N[C@H](C)CCC(C)C)on1 ZINC000924536243 646055794 /nfs/dbraw/zinc/05/57/94/646055794.db2.gz NDCQDNIEBWWJKN-GHMZBOCLSA-N 0 3 240.347 3.159 20 0 BGADHN COc1cc([C@H](C)N[C@H](C)CCC(C)C)on1 ZINC000924536244 646055915 /nfs/dbraw/zinc/05/59/15/646055915.db2.gz NDCQDNIEBWWJKN-MNOVXSKESA-N 0 3 240.347 3.159 20 0 BGADHN COc1cc([C@H](C)N[C@@H](C)CCC(C)C)on1 ZINC000924536246 646054252 /nfs/dbraw/zinc/05/42/52/646054252.db2.gz NDCQDNIEBWWJKN-QWRGUYRKSA-N 0 3 240.347 3.159 20 0 BGADHN COc1cc([C@@H](C)N[C@@H](C)CCC(C)C)on1 ZINC000924536248 646054960 /nfs/dbraw/zinc/05/49/60/646054960.db2.gz NDCQDNIEBWWJKN-WDEREUQCSA-N 0 3 240.347 3.159 20 0 BGADHN CCC(CC)[NH2+][C@H](C)c1cc([O-])cc(F)c1 ZINC000924536497 646055444 /nfs/dbraw/zinc/05/54/44/646055444.db2.gz ZGBLSHNFOLXWRW-SECBINFHSA-N 0 3 225.307 3.371 20 0 BGADHN CCC(CC)[NH2+][C@@H](C)c1cc([O-])cc(F)c1 ZINC000924536499 646055785 /nfs/dbraw/zinc/05/57/85/646055785.db2.gz ZGBLSHNFOLXWRW-VIFPVBQESA-N 0 3 225.307 3.371 20 0 BGADHN CCCCC[C@@H](C)N[C@H](C)c1cc(OC)no1 ZINC000924536704 646055928 /nfs/dbraw/zinc/05/59/28/646055928.db2.gz WPVFURCXWPPIDD-GHMZBOCLSA-N 0 3 240.347 3.303 20 0 BGADHN CCCCC[C@@H](C)N[C@@H](C)c1cc(OC)no1 ZINC000924536705 646054902 /nfs/dbraw/zinc/05/49/02/646054902.db2.gz WPVFURCXWPPIDD-MNOVXSKESA-N 0 3 240.347 3.303 20 0 BGADHN CCCCC[C@H](C)N[C@@H](C)c1cc(OC)no1 ZINC000924536706 646054267 /nfs/dbraw/zinc/05/42/67/646054267.db2.gz WPVFURCXWPPIDD-QWRGUYRKSA-N 0 3 240.347 3.303 20 0 BGADHN CCCCC[C@H](C)N[C@H](C)c1cc(OC)no1 ZINC000924536707 646055479 /nfs/dbraw/zinc/05/54/79/646055479.db2.gz WPVFURCXWPPIDD-WDEREUQCSA-N 0 3 240.347 3.303 20 0 BGADHN CCCCCCN[C@H](C)c1cn(C(C)C)nn1 ZINC000924539532 646059226 /nfs/dbraw/zinc/05/92/26/646059226.db2.gz SRFSUUFMXFJQLB-GFCCVEGCSA-N 0 3 238.379 3.090 20 0 BGADHN CCCCCCN[C@@H](C)c1cn(C(C)C)nn1 ZINC000924539536 646059143 /nfs/dbraw/zinc/05/91/43/646059143.db2.gz SRFSUUFMXFJQLB-LBPRGKRZSA-N 0 3 238.379 3.090 20 0 BGADHN CCCCCN[C@@H]1CCCc2oc(C)nc21 ZINC000924543830 632796065 /nfs/dbraw/zinc/79/60/65/632796065.db2.gz SOSCQEUKHGPZOJ-LLVKDONJSA-N 0 3 222.332 3.140 20 0 BGADHN CCCCCN[C@H]1CCCc2oc(C)nc21 ZINC000924543832 632796127 /nfs/dbraw/zinc/79/61/27/632796127.db2.gz SOSCQEUKHGPZOJ-NSHDSACASA-N 0 3 222.332 3.140 20 0 BGADHN Cc1ccccc1[C@@H](C)N[C@H](C)c1ccnnc1 ZINC000924544057 646062960 /nfs/dbraw/zinc/06/29/60/646062960.db2.gz VVFODUYCRWBTGR-CHWSQXEVSA-N 0 3 241.338 3.197 20 0 BGADHN Cc1ccccc1[C@H](C)N[C@H](C)c1ccnnc1 ZINC000924544059 646063961 /nfs/dbraw/zinc/06/39/61/646063961.db2.gz VVFODUYCRWBTGR-OLZOCXBDSA-N 0 3 241.338 3.197 20 0 BGADHN Cc1ccccc1[C@@H](C)N[C@@H](C)c1ccnnc1 ZINC000924544060 646064342 /nfs/dbraw/zinc/06/43/42/646064342.db2.gz VVFODUYCRWBTGR-QWHCGFSZSA-N 0 3 241.338 3.197 20 0 BGADHN Cc1ccccc1[C@H](C)N[C@@H](C)c1ccnnc1 ZINC000924544062 646063382 /nfs/dbraw/zinc/06/33/82/646063382.db2.gz VVFODUYCRWBTGR-STQMWFEESA-N 0 3 241.338 3.197 20 0 BGADHN Cc1nc2c(o1)CCC[C@H]2NC1CCCCC1 ZINC000924544553 646064295 /nfs/dbraw/zinc/06/42/95/646064295.db2.gz ZXXTXQWXABIZEF-GFCCVEGCSA-N 0 3 234.343 3.283 20 0 BGADHN Cc1nc2c(o1)CCC[C@@H]2NC1CCCCC1 ZINC000924544554 646064014 /nfs/dbraw/zinc/06/40/14/646064014.db2.gz ZXXTXQWXABIZEF-LBPRGKRZSA-N 0 3 234.343 3.283 20 0 BGADHN CC(C)[C@@H](C)[NH2+][C@H](C)c1cc([O-])cc(F)c1 ZINC000924569486 632913215 /nfs/dbraw/zinc/91/32/15/632913215.db2.gz IKJUMPDCNVOHPU-NXEZZACHSA-N 0 3 225.307 3.226 20 0 BGADHN CC(C)[C@H](C)[NH2+][C@@H](C)c1cc([O-])cc(F)c1 ZINC000924569487 632911657 /nfs/dbraw/zinc/91/16/57/632911657.db2.gz IKJUMPDCNVOHPU-UWVGGRQHSA-N 0 3 225.307 3.226 20 0 BGADHN CC(C)[C@H](C)[NH2+][C@H](C)c1cc([O-])cc(F)c1 ZINC000924569488 632912225 /nfs/dbraw/zinc/91/22/25/632912225.db2.gz IKJUMPDCNVOHPU-VHSXEESVSA-N 0 3 225.307 3.226 20 0 BGADHN CC(C)[C@@H](C)[NH2+][C@@H](C)c1cc([O-])cc(F)c1 ZINC000924569493 632911903 /nfs/dbraw/zinc/91/19/03/632911903.db2.gz IKJUMPDCNVOHPU-ZJUUUORDSA-N 0 3 225.307 3.226 20 0 BGADHN Cc1nc2c(o1)CCC[C@H]2NCCCC(C)C ZINC000924603520 646075392 /nfs/dbraw/zinc/07/53/92/646075392.db2.gz KGERXMGBAVUHNH-GFCCVEGCSA-N 0 3 236.359 3.386 20 0 BGADHN Cc1nc2c(o1)CCC[C@@H]2NCCCC(C)C ZINC000924603522 646074719 /nfs/dbraw/zinc/07/47/19/646074719.db2.gz KGERXMGBAVUHNH-LBPRGKRZSA-N 0 3 236.359 3.386 20 0 BGADHN Cc1csc(CNC2CC3(C2)CCCC3)n1 ZINC000924614146 646076939 /nfs/dbraw/zinc/07/69/39/646076939.db2.gz HWIJWCKBXGMBMS-UHFFFAOYSA-N 0 3 236.384 3.264 20 0 BGADHN CC[C@@H]1CCCC[C@H]1N[C@H](C)c1ncco1 ZINC000924620833 636933411 /nfs/dbraw/zinc/93/34/11/636933411.db2.gz SBVPEBOOKRTKST-IJLUTSLNSA-N 0 3 222.332 3.294 20 0 BGADHN CC[C@@H]1CCCC[C@H]1N[C@@H](C)c1ncco1 ZINC000924620835 636934198 /nfs/dbraw/zinc/93/41/98/636934198.db2.gz SBVPEBOOKRTKST-QJPTWQEYSA-N 0 3 222.332 3.294 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1N[C@@H](C)c1ncco1 ZINC000924620836 636933857 /nfs/dbraw/zinc/93/38/57/636933857.db2.gz SBVPEBOOKRTKST-TUAOUCFPSA-N 0 3 222.332 3.294 20 0 BGADHN CC[C@@H]1CCCC[C@@H]1N[C@H](C)c1ncco1 ZINC000924620841 636933864 /nfs/dbraw/zinc/93/38/64/636933864.db2.gz SBVPEBOOKRTKST-UTUOFQBUSA-N 0 3 222.332 3.294 20 0 BGADHN Cc1ccc(CCN[C@@H](C)c2c(C)noc2C)o1 ZINC000924655542 646086791 /nfs/dbraw/zinc/08/67/91/646086791.db2.gz UZPWCSXDPRKQQF-JTQLQIEISA-N 0 3 248.326 3.086 20 0 BGADHN Cc1ccc(CCN[C@H](C)c2c(C)noc2C)o1 ZINC000924655559 646086139 /nfs/dbraw/zinc/08/61/39/646086139.db2.gz UZPWCSXDPRKQQF-SNVBAGLBSA-N 0 3 248.326 3.086 20 0 BGADHN Cc1ccc([C@@H](C)N[C@H](C)c2ccnnc2)cc1 ZINC000924715016 646092999 /nfs/dbraw/zinc/09/29/99/646092999.db2.gz UGGUWMPNGWMXFT-CHWSQXEVSA-N 0 3 241.338 3.197 20 0 BGADHN Cc1ccc([C@@H](C)N[C@@H](C)c2ccnnc2)cc1 ZINC000924715018 646092895 /nfs/dbraw/zinc/09/28/95/646092895.db2.gz UGGUWMPNGWMXFT-OLZOCXBDSA-N 0 3 241.338 3.197 20 0 BGADHN Cc1ccc([C@H](C)N[C@H](C)c2ccnnc2)cc1 ZINC000924715020 646092831 /nfs/dbraw/zinc/09/28/31/646092831.db2.gz UGGUWMPNGWMXFT-QWHCGFSZSA-N 0 3 241.338 3.197 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H](C)c2ccnnc2)cc1 ZINC000924715024 646093118 /nfs/dbraw/zinc/09/31/18/646093118.db2.gz UGGUWMPNGWMXFT-STQMWFEESA-N 0 3 241.338 3.197 20 0 BGADHN Cc1cccc2c1[C@@H](NCc1ccoc1)CC2 ZINC000924746190 637067614 /nfs/dbraw/zinc/06/76/14/637067614.db2.gz FJBBHWMNNYFSPB-AWEZNQCLSA-N 0 3 227.307 3.365 20 0 BGADHN Cc1cccc2c1[C@H](NCc1ccoc1)CC2 ZINC000924746198 637068756 /nfs/dbraw/zinc/06/87/56/637068756.db2.gz FJBBHWMNNYFSPB-CQSZACIVSA-N 0 3 227.307 3.365 20 0 BGADHN Cc1ccc([C@@H](C)N[C@H](C)c2ccnnc2)s1 ZINC000924767732 637149714 /nfs/dbraw/zinc/14/97/14/637149714.db2.gz WDYBNFGFKDXHTN-GHMZBOCLSA-N 0 3 247.367 3.258 20 0 BGADHN Cc1ccc([C@H](C)N[C@H](C)c2ccnnc2)s1 ZINC000924767734 637149366 /nfs/dbraw/zinc/14/93/66/637149366.db2.gz WDYBNFGFKDXHTN-MNOVXSKESA-N 0 3 247.367 3.258 20 0 BGADHN Cc1ccc([C@H](C)N[C@@H](C)c2ccnnc2)s1 ZINC000924767737 637149195 /nfs/dbraw/zinc/14/91/95/637149195.db2.gz WDYBNFGFKDXHTN-QWRGUYRKSA-N 0 3 247.367 3.258 20 0 BGADHN Cc1ccc([C@@H](C)N[C@@H](C)c2ccnnc2)s1 ZINC000924767740 637149185 /nfs/dbraw/zinc/14/91/85/637149185.db2.gz WDYBNFGFKDXHTN-WDEREUQCSA-N 0 3 247.367 3.258 20 0 BGADHN CC[C@H](C)[C@@H](C)N[C@@H]1CCCc2oc(C)nc21 ZINC000924775103 637186921 /nfs/dbraw/zinc/18/69/21/637186921.db2.gz XNZNFBRJXRHIDA-HOSYDEDBSA-N 0 3 236.359 3.385 20 0 BGADHN CC[C@H](C)[C@H](C)N[C@@H]1CCCc2oc(C)nc21 ZINC000924775109 637186875 /nfs/dbraw/zinc/18/68/75/637186875.db2.gz XNZNFBRJXRHIDA-JBLDHEPKSA-N 0 3 236.359 3.385 20 0 BGADHN CC[C@H](C)[C@H](C)N[C@H]1CCCc2oc(C)nc21 ZINC000924775112 637185915 /nfs/dbraw/zinc/18/59/15/637185915.db2.gz XNZNFBRJXRHIDA-NHCYSSNCSA-N 0 3 236.359 3.385 20 0 BGADHN CC[C@H](C)[C@@H](C)N[C@H]1CCCc2oc(C)nc21 ZINC000924775116 637186292 /nfs/dbraw/zinc/18/62/92/637186292.db2.gz XNZNFBRJXRHIDA-UMNHJUIQSA-N 0 3 236.359 3.385 20 0 BGADHN Cc1nc2c(o1)CCC[C@H]2NCC1CCCC1 ZINC000924775668 646104050 /nfs/dbraw/zinc/10/40/50/646104050.db2.gz BKHASGWMABLOBI-GFCCVEGCSA-N 0 3 234.343 3.140 20 0 BGADHN Cc1nc2c(o1)CCC[C@@H]2NCC1CCCC1 ZINC000924775670 646104612 /nfs/dbraw/zinc/10/46/12/646104612.db2.gz BKHASGWMABLOBI-LBPRGKRZSA-N 0 3 234.343 3.140 20 0 BGADHN Cc1nc2c(o1)CCC[C@H]2NCCC(C)(C)C ZINC000924790867 646106881 /nfs/dbraw/zinc/10/68/81/646106881.db2.gz DXERNOIESOOHPI-LLVKDONJSA-N 0 3 236.359 3.386 20 0 BGADHN Cc1nc2c(o1)CCC[C@@H]2NCCC(C)(C)C ZINC000924790870 646107020 /nfs/dbraw/zinc/10/70/20/646107020.db2.gz DXERNOIESOOHPI-NSHDSACASA-N 0 3 236.359 3.386 20 0 BGADHN C[C@H](NC1[C@@H](C)CCC[C@@H]1C)c1ncco1 ZINC000924801698 646110249 /nfs/dbraw/zinc/11/02/49/646110249.db2.gz HZHFHCSYSIJFHJ-DCAQKATOSA-N 0 3 222.332 3.150 20 0 BGADHN C[C@@H](N[C@H]1[C@H](C)CCC[C@@H]1C)c1ncco1 ZINC000924801699 646111286 /nfs/dbraw/zinc/11/12/86/646111286.db2.gz HZHFHCSYSIJFHJ-KXNHARMFSA-N 0 3 222.332 3.150 20 0 BGADHN C[C@H](NC1[C@H](C)CCC[C@H]1C)c1ncco1 ZINC000924801700 646111064 /nfs/dbraw/zinc/11/10/64/646111064.db2.gz HZHFHCSYSIJFHJ-MXWKQRLJSA-N 0 3 222.332 3.150 20 0 BGADHN C[C@H](N[C@H]1[C@H](C)CCC[C@@H]1C)c1ncco1 ZINC000924801701 646110687 /nfs/dbraw/zinc/11/06/87/646110687.db2.gz HZHFHCSYSIJFHJ-WHOHXGKFSA-N 0 3 222.332 3.150 20 0 BGADHN Cc1nc2c(o1)CCC[C@H]2NC(C1CC1)C1CC1 ZINC000924802920 637747417 /nfs/dbraw/zinc/74/74/17/637747417.db2.gz PQCBCNAIIQNPSC-GFCCVEGCSA-N 0 3 246.354 3.139 20 0 BGADHN Cc1nc2c(o1)CCC[C@@H]2NC(C1CC1)C1CC1 ZINC000924802926 637746303 /nfs/dbraw/zinc/74/63/03/637746303.db2.gz PQCBCNAIIQNPSC-LBPRGKRZSA-N 0 3 246.354 3.139 20 0 BGADHN C[C@H](NC1C2CC3CC(C2)CC1C3)c1ncco1 ZINC000924807861 646113524 /nfs/dbraw/zinc/11/35/24/646113524.db2.gz XHLCGBWLWNYOAO-FTPDJBBVSA-N 0 3 246.354 3.150 20 0 BGADHN C[C@@H](NC1C2CC3CC(C2)CC1C3)c1ncco1 ZINC000924807864 646112331 /nfs/dbraw/zinc/11/23/31/646112331.db2.gz XHLCGBWLWNYOAO-UIBFTYAWSA-N 0 3 246.354 3.150 20 0 BGADHN C[C@@H]([NH2+]C[C@@H](C)C1CC1)c1cc([O-])cc(F)c1 ZINC000924824886 646112491 /nfs/dbraw/zinc/11/24/91/646112491.db2.gz ATMLXKHTTLCUOM-NXEZZACHSA-N 0 3 237.318 3.228 20 0 BGADHN C[C@@H](C[NH2+][C@@H](C)c1cc([O-])cc(F)c1)C1CC1 ZINC000924824888 646112548 /nfs/dbraw/zinc/11/25/48/646112548.db2.gz ATMLXKHTTLCUOM-UWVGGRQHSA-N 0 3 237.318 3.228 20 0 BGADHN C[C@@H](C[NH2+][C@H](C)c1cc([O-])cc(F)c1)C1CC1 ZINC000924824890 646113513 /nfs/dbraw/zinc/11/35/13/646113513.db2.gz ATMLXKHTTLCUOM-VHSXEESVSA-N 0 3 237.318 3.228 20 0 BGADHN C[C@H](C[NH2+][C@@H](C)c1cc([O-])cc(F)c1)C1CC1 ZINC000924824891 646112699 /nfs/dbraw/zinc/11/26/99/646112699.db2.gz ATMLXKHTTLCUOM-ZJUUUORDSA-N 0 3 237.318 3.228 20 0 BGADHN CC[C@H](N[C@H](C)c1ccnnc1)c1ccccc1 ZINC000924858256 646118817 /nfs/dbraw/zinc/11/88/17/646118817.db2.gz ZHSWNIWLKAXMGM-DOMZBBRYSA-N 0 3 241.338 3.279 20 0 BGADHN CC[C@@H](N[C@H](C)c1ccnnc1)c1ccccc1 ZINC000924858257 646119480 /nfs/dbraw/zinc/11/94/80/646119480.db2.gz ZHSWNIWLKAXMGM-IUODEOHRSA-N 0 3 241.338 3.279 20 0 BGADHN CC[C@@H](N[C@@H](C)c1ccnnc1)c1ccccc1 ZINC000924858258 646118969 /nfs/dbraw/zinc/11/89/69/646118969.db2.gz ZHSWNIWLKAXMGM-SWLSCSKDSA-N 0 3 241.338 3.279 20 0 BGADHN CC[C@H](N[C@@H](C)c1ccnnc1)c1ccccc1 ZINC000924858259 646119852 /nfs/dbraw/zinc/11/98/52/646119852.db2.gz ZHSWNIWLKAXMGM-WFASDCNBSA-N 0 3 241.338 3.279 20 0 BGADHN C[C@@H](NCCCCC(C)(C)C)c1cn(C)cn1 ZINC000924945919 635798697 /nfs/dbraw/zinc/79/86/97/635798697.db2.gz JEBBPFBTSVMFAL-GFCCVEGCSA-N 0 3 237.391 3.287 20 0 BGADHN C[C@H](NCCCCC(C)(C)C)c1cn(C)cn1 ZINC000924945920 635798773 /nfs/dbraw/zinc/79/87/73/635798773.db2.gz JEBBPFBTSVMFAL-LBPRGKRZSA-N 0 3 237.391 3.287 20 0 BGADHN C[C@H](N[C@@H]1C[C@@H]1C)c1cc(-c2ccccc2)no1 ZINC000924948151 646137735 /nfs/dbraw/zinc/13/77/35/646137735.db2.gz GTBOFTKYNCHZNF-GMXVVIOVSA-N 0 3 242.322 3.401 20 0 BGADHN C[C@H](N[C@H]1C[C@@H]1C)c1cc(-c2ccccc2)no1 ZINC000924948153 646137244 /nfs/dbraw/zinc/13/72/44/646137244.db2.gz GTBOFTKYNCHZNF-GVXVVHGQSA-N 0 3 242.322 3.401 20 0 BGADHN C[C@H](N[C@H]1C[C@H]1C)c1cc(-c2ccccc2)no1 ZINC000924948155 646137987 /nfs/dbraw/zinc/13/79/87/646137987.db2.gz GTBOFTKYNCHZNF-MDZLAQPJSA-N 0 3 242.322 3.401 20 0 BGADHN C[C@H](N[C@@H]1C[C@H]1C)c1cc(-c2ccccc2)no1 ZINC000924948157 646136815 /nfs/dbraw/zinc/13/68/15/646136815.db2.gz GTBOFTKYNCHZNF-NTZNESFSSA-N 0 3 242.322 3.401 20 0 BGADHN CCC(CC)CN[C@@H]1CCCc2oc(C)nc21 ZINC000924992392 646153066 /nfs/dbraw/zinc/15/30/66/646153066.db2.gz HDHQGYWBWBBJLD-GFCCVEGCSA-N 0 3 236.359 3.386 20 0 BGADHN CCC(CC)CN[C@H]1CCCc2oc(C)nc21 ZINC000924992393 646151952 /nfs/dbraw/zinc/15/19/52/646151952.db2.gz HDHQGYWBWBBJLD-LBPRGKRZSA-N 0 3 236.359 3.386 20 0 BGADHN CCc1nc(CN[C@@H]2C[C@H]3C=C[C@@H]2CC3)cs1 ZINC000924999263 635837768 /nfs/dbraw/zinc/83/77/68/635837768.db2.gz OHIPMZZTGFUEPF-DMDPSCGWSA-N 0 3 248.395 3.150 20 0 BGADHN CCc1nc(CN[C@H]2C[C@H]3C=C[C@@H]2CC3)cs1 ZINC000924999267 635837203 /nfs/dbraw/zinc/83/72/03/635837203.db2.gz OHIPMZZTGFUEPF-LOWVWBTDSA-N 0 3 248.395 3.150 20 0 BGADHN CC(C)n1ccc(CNC2CC3(C2)CCCC3)n1 ZINC000925105876 646186898 /nfs/dbraw/zinc/18/68/98/646186898.db2.gz JVOCZVOKWPIGGK-UHFFFAOYSA-N 0 3 247.386 3.276 20 0 BGADHN CCc1cc(CNC2CC3(C2)CCCC3)on1 ZINC000925129114 646190651 /nfs/dbraw/zinc/19/06/51/646190651.db2.gz NEJXNTNLBFQWFO-UHFFFAOYSA-N 0 3 234.343 3.049 20 0 BGADHN Cc1cnc(CNC2CC3(C2)CCCC3)s1 ZINC000925153131 636321053 /nfs/dbraw/zinc/32/10/53/636321053.db2.gz SBMUEAPTWSHHFK-UHFFFAOYSA-N 0 3 236.384 3.264 20 0 BGADHN C[C@@H](NCCCCC1CCCC1)c1cn(C)cn1 ZINC000925184171 636360738 /nfs/dbraw/zinc/36/07/38/636360738.db2.gz NIQHNTWWYIZXKL-CYBMUJFWSA-N 0 3 249.402 3.431 20 0 BGADHN C[C@H](NCCCCC1CCCC1)c1cn(C)cn1 ZINC000925184172 636360517 /nfs/dbraw/zinc/36/05/17/636360517.db2.gz NIQHNTWWYIZXKL-ZDUSSCGKSA-N 0 3 249.402 3.431 20 0 BGADHN COC[C@@H](NC1CC2(C1)CCCC2)c1ccco1 ZINC000925201594 636379810 /nfs/dbraw/zinc/37/98/10/636379810.db2.gz CGSRWMRQDAJWOA-CYBMUJFWSA-N 0 3 249.354 3.280 20 0 BGADHN COC[C@H](NC1CC2(C1)CCCC2)c1ccco1 ZINC000925201596 636379176 /nfs/dbraw/zinc/37/91/76/636379176.db2.gz CGSRWMRQDAJWOA-ZDUSSCGKSA-N 0 3 249.354 3.280 20 0 BGADHN CC(C)C(C(C)C)[C@@H](C)NCc1ccon1 ZINC000925212131 646208838 /nfs/dbraw/zinc/20/88/38/646208838.db2.gz OVZOKRFJYJMFNK-LLVKDONJSA-N 0 3 224.348 3.081 20 0 BGADHN CC(C)C(C(C)C)[C@H](C)NCc1ccon1 ZINC000925212133 646210347 /nfs/dbraw/zinc/21/03/47/646210347.db2.gz OVZOKRFJYJMFNK-NSHDSACASA-N 0 3 224.348 3.081 20 0 BGADHN Cc1ccncc1[C@@H](C)N[C@H](C)C1(Cl)CC1 ZINC000925292208 646233705 /nfs/dbraw/zinc/23/37/05/646233705.db2.gz FYGLTHBBDVEDAG-GHMZBOCLSA-N 0 3 238.762 3.201 20 0 BGADHN Cc1ccncc1[C@@H](C)N[C@@H](C)C1(Cl)CC1 ZINC000925292210 646234444 /nfs/dbraw/zinc/23/44/44/646234444.db2.gz FYGLTHBBDVEDAG-MNOVXSKESA-N 0 3 238.762 3.201 20 0 BGADHN Cc1ccncc1[C@H](C)N[C@@H](C)C1(Cl)CC1 ZINC000925292211 646233531 /nfs/dbraw/zinc/23/35/31/646233531.db2.gz FYGLTHBBDVEDAG-QWRGUYRKSA-N 0 3 238.762 3.201 20 0 BGADHN Cc1ccncc1[C@H](C)N[C@H](C)C1(Cl)CC1 ZINC000925292214 646235153 /nfs/dbraw/zinc/23/51/53/646235153.db2.gz FYGLTHBBDVEDAG-WDEREUQCSA-N 0 3 238.762 3.201 20 0 BGADHN CCC[C@H](CC)N[C@H](C)c1cn(C(C)C)nn1 ZINC000925354259 646250684 /nfs/dbraw/zinc/25/06/84/646250684.db2.gz VWSKIHAPFQLRBS-NEPJUHHUSA-N 0 3 238.379 3.088 20 0 BGADHN CCC[C@@H](CC)N[C@@H](C)c1cn(C(C)C)nn1 ZINC000925354260 646251451 /nfs/dbraw/zinc/25/14/51/646251451.db2.gz VWSKIHAPFQLRBS-NWDGAFQWSA-N 0 3 238.379 3.088 20 0 BGADHN CCC[C@H](CC)N[C@@H](C)c1cn(C(C)C)nn1 ZINC000925354262 646251356 /nfs/dbraw/zinc/25/13/56/646251356.db2.gz VWSKIHAPFQLRBS-RYUDHWBXSA-N 0 3 238.379 3.088 20 0 BGADHN CCC[C@@H](CC)N[C@H](C)c1cn(C(C)C)nn1 ZINC000925354263 646240655 /nfs/dbraw/zinc/24/06/55/646240655.db2.gz VWSKIHAPFQLRBS-VXGBXAGGSA-N 0 3 238.379 3.088 20 0 BGADHN Cc1nc2c(o1)CCC[C@@H]2N[C@H]1CCC[C@@H]1C ZINC000925372989 644289654 /nfs/dbraw/zinc/28/96/54/644289654.db2.gz ZTUQHTAINNAYQK-DLOVCJGASA-N 0 3 234.343 3.139 20 0 BGADHN Cc1nc2c(o1)CCC[C@@H]2N[C@@H]1CCC[C@H]1C ZINC000925372991 644290614 /nfs/dbraw/zinc/29/06/14/644290614.db2.gz ZTUQHTAINNAYQK-JLLWLGSASA-N 0 3 234.343 3.139 20 0 BGADHN Cc1nc2c(o1)CCC[C@@H]2N[C@H]1CCC[C@H]1C ZINC000925372992 644290842 /nfs/dbraw/zinc/29/08/42/644290842.db2.gz ZTUQHTAINNAYQK-USWWRNFRSA-N 0 3 234.343 3.139 20 0 BGADHN Cc1nc2c(o1)CCC[C@@H]2N[C@@H]1CCC[C@@H]1C ZINC000925372994 644290162 /nfs/dbraw/zinc/29/01/62/644290162.db2.gz ZTUQHTAINNAYQK-WCQGTBRESA-N 0 3 234.343 3.139 20 0 BGADHN Cc1nc2c(o1)CCC[C@@H]2N[C@@H]1CC=CCC1 ZINC000925436707 646281134 /nfs/dbraw/zinc/28/11/34/646281134.db2.gz GPXVMSNFYOUZIS-NEPJUHHUSA-N 0 3 232.327 3.059 20 0 BGADHN Cc1nc2c(o1)CCC[C@H]2N[C@H]1CC=CCC1 ZINC000925436708 646282689 /nfs/dbraw/zinc/28/26/89/646282689.db2.gz GPXVMSNFYOUZIS-NWDGAFQWSA-N 0 3 232.327 3.059 20 0 BGADHN Cc1nc2c(o1)CCC[C@@H]2N[C@H]1CC=CCC1 ZINC000925436710 646281826 /nfs/dbraw/zinc/28/18/26/646281826.db2.gz GPXVMSNFYOUZIS-RYUDHWBXSA-N 0 3 232.327 3.059 20 0 BGADHN Cc1nc2c(o1)CCC[C@H]2N[C@@H]1CC=CCC1 ZINC000925436711 646282585 /nfs/dbraw/zinc/28/25/85/646282585.db2.gz GPXVMSNFYOUZIS-VXGBXAGGSA-N 0 3 232.327 3.059 20 0 BGADHN C[C@H]([NH2+][C@H]1CC=CCC1)c1cc([O-])cc(F)c1 ZINC000925437124 646281775 /nfs/dbraw/zinc/28/17/75/646281775.db2.gz KLJNGDMWAKOSAE-GWCFXTLKSA-N 0 3 235.302 3.291 20 0 BGADHN C[C@H]([NH2+][C@@H]1CC=CCC1)c1cc([O-])cc(F)c1 ZINC000925437125 646282701 /nfs/dbraw/zinc/28/27/01/646282701.db2.gz KLJNGDMWAKOSAE-GXFFZTMASA-N 0 3 235.302 3.291 20 0 BGADHN C[C@@H]([NH2+][C@H]1CC=CCC1)c1cc([O-])cc(F)c1 ZINC000925437126 646282102 /nfs/dbraw/zinc/28/21/02/646282102.db2.gz KLJNGDMWAKOSAE-MFKMUULPSA-N 0 3 235.302 3.291 20 0 BGADHN C[C@@H]([NH2+][C@@H]1CC=CCC1)c1cc([O-])cc(F)c1 ZINC000925437127 646281422 /nfs/dbraw/zinc/28/14/22/646281422.db2.gz KLJNGDMWAKOSAE-ZWNOBZJWSA-N 0 3 235.302 3.291 20 0 BGADHN Cc1nc2c(o1)CCC[C@H]2NCCCC1CC1 ZINC000925437221 646282740 /nfs/dbraw/zinc/28/27/40/646282740.db2.gz LVYXOVUXUQGZGR-GFCCVEGCSA-N 0 3 234.343 3.140 20 0 BGADHN Cc1nc2c(o1)CCC[C@@H]2NCCCC1CC1 ZINC000925437223 646281094 /nfs/dbraw/zinc/28/10/94/646281094.db2.gz LVYXOVUXUQGZGR-LBPRGKRZSA-N 0 3 234.343 3.140 20 0 BGADHN COc1cc([C@H](C)NCCCC(C)(C)C)on1 ZINC000925455472 642244309 /nfs/dbraw/zinc/24/43/09/642244309.db2.gz NHARJLTXCIRQKC-JTQLQIEISA-N 0 3 240.347 3.160 20 0 BGADHN COc1cc([C@@H](C)NCCCC(C)(C)C)on1 ZINC000925455473 642245165 /nfs/dbraw/zinc/24/51/65/642245165.db2.gz NHARJLTXCIRQKC-SNVBAGLBSA-N 0 3 240.347 3.160 20 0 BGADHN C[C@H](N[C@@H]1C[C@H]1C1CCCCC1)c1cn(C)cn1 ZINC000925467624 646289243 /nfs/dbraw/zinc/28/92/43/646289243.db2.gz VFYAASFRNPTJBD-FPMFFAJLSA-N 0 3 247.386 3.040 20 0 BGADHN C[C@H](N[C@@H]1C[C@@H]1C1CCCCC1)c1cn(C)cn1 ZINC000925467625 646290024 /nfs/dbraw/zinc/29/00/24/646290024.db2.gz VFYAASFRNPTJBD-IACUBPJLSA-N 0 3 247.386 3.040 20 0 BGADHN C[C@H](N[C@H]1C[C@H]1C1CCCCC1)c1cn(C)cn1 ZINC000925467626 646290339 /nfs/dbraw/zinc/29/03/39/646290339.db2.gz VFYAASFRNPTJBD-UBHSHLNASA-N 0 3 247.386 3.040 20 0 BGADHN C[C@H](N[C@H]1C[C@@H]1C1CCCCC1)c1cn(C)cn1 ZINC000925467627 642354914 /nfs/dbraw/zinc/35/49/14/642354914.db2.gz VFYAASFRNPTJBD-YUTCNCBUSA-N 0 3 247.386 3.040 20 0 BGADHN CC[C@H](C)C[C@@H](C)N[C@@H](C)c1cc(OC)no1 ZINC000925476516 646289299 /nfs/dbraw/zinc/28/92/99/646289299.db2.gz OVOHYQUKEPMYNV-AXFHLTTASA-N 0 3 240.347 3.159 20 0 BGADHN CC[C@H](C)C[C@H](C)N[C@@H](C)c1cc(OC)no1 ZINC000925476517 646290054 /nfs/dbraw/zinc/29/00/54/646290054.db2.gz OVOHYQUKEPMYNV-DCAQKATOSA-N 0 3 240.347 3.159 20 0 BGADHN CC[C@H](C)C[C@H](C)N[C@H](C)c1cc(OC)no1 ZINC000925476518 646289326 /nfs/dbraw/zinc/28/93/26/646289326.db2.gz OVOHYQUKEPMYNV-GARJFASQSA-N 0 3 240.347 3.159 20 0 BGADHN CC[C@H](C)C[C@@H](C)N[C@H](C)c1cc(OC)no1 ZINC000925476519 646290729 /nfs/dbraw/zinc/29/07/29/646290729.db2.gz OVOHYQUKEPMYNV-HBNTYKKESA-N 0 3 240.347 3.159 20 0 BGADHN CCC[C@@H]1C[C@@H]1N[C@@H](C)c1c(C)noc1C ZINC000925484287 646289070 /nfs/dbraw/zinc/28/90/70/646289070.db2.gz DNORRJLHBVZIAZ-AXTRIDKLSA-N 0 3 222.332 3.131 20 0 BGADHN CCC[C@@H]1C[C@@H]1N[C@H](C)c1c(C)noc1C ZINC000925484288 646290493 /nfs/dbraw/zinc/29/04/93/646290493.db2.gz DNORRJLHBVZIAZ-FXAINCCUSA-N 0 3 222.332 3.131 20 0 BGADHN CCC[C@@H]1C[C@H]1N[C@H](C)c1c(C)noc1C ZINC000925484289 646289584 /nfs/dbraw/zinc/28/95/84/646289584.db2.gz DNORRJLHBVZIAZ-GGZOMVNGSA-N 0 3 222.332 3.131 20 0 BGADHN CCC[C@@H]1C[C@H]1N[C@@H](C)c1c(C)noc1C ZINC000925484290 646289819 /nfs/dbraw/zinc/28/98/19/646289819.db2.gz DNORRJLHBVZIAZ-XXILOJSOSA-N 0 3 222.332 3.131 20 0 BGADHN CCC[C@@H]1C[C@H]1N[C@H](C)c1cn2c(n1)CCCC2 ZINC000925484916 646297854 /nfs/dbraw/zinc/29/78/54/646297854.db2.gz KMLOOQGWXYDWHD-JHJVBQTASA-N 0 3 247.386 3.059 20 0 BGADHN CCC[C@@H]1C[C@@H]1N[C@H](C)c1cn2c(n1)CCCC2 ZINC000925484917 646296881 /nfs/dbraw/zinc/29/68/81/646296881.db2.gz KMLOOQGWXYDWHD-UPJWGTAASA-N 0 3 247.386 3.059 20 0 BGADHN CCC[C@@H]1C[C@@H]1N[C@@H](C)c1cn2c(n1)CCCC2 ZINC000925484919 646296304 /nfs/dbraw/zinc/29/63/04/646296304.db2.gz KMLOOQGWXYDWHD-XQQFMLRXSA-N 0 3 247.386 3.059 20 0 BGADHN CCC[C@@H]1C[C@H]1N[C@@H](C)c1cn2c(n1)CCCC2 ZINC000925484920 646297347 /nfs/dbraw/zinc/29/73/47/646297347.db2.gz KMLOOQGWXYDWHD-YNEHKIRRSA-N 0 3 247.386 3.059 20 0 BGADHN Cc1nc2c(o1)CCC[C@H]2NCC1(C)CCC1 ZINC000925496503 645938832 /nfs/dbraw/zinc/93/88/32/645938832.db2.gz BIDBXKKJYNQJCX-LLVKDONJSA-N 0 3 234.343 3.140 20 0 BGADHN Cc1nc2c(o1)CCC[C@@H]2NCC1(C)CCC1 ZINC000925496505 645938822 /nfs/dbraw/zinc/93/88/22/645938822.db2.gz BIDBXKKJYNQJCX-NSHDSACASA-N 0 3 234.343 3.140 20 0 BGADHN CCC1(CN[C@@H]2CCCc3oc(C)nc32)CC1 ZINC000925497757 646301451 /nfs/dbraw/zinc/30/14/51/646301451.db2.gz JANYBMGJQUZLBJ-LLVKDONJSA-N 0 3 234.343 3.140 20 0 BGADHN CCC1(CN[C@H]2CCCc3oc(C)nc32)CC1 ZINC000925497758 646301845 /nfs/dbraw/zinc/30/18/45/646301845.db2.gz JANYBMGJQUZLBJ-NSHDSACASA-N 0 3 234.343 3.140 20 0 BGADHN CCC1(CN[C@H](C)c2cn3c(n2)CCCC3)CC1 ZINC000925498891 712701353 /nfs/dbraw/zinc/70/13/53/712701353.db2.gz SQNCHHSWICYQSP-GFCCVEGCSA-N 0 3 247.386 3.060 20 0 BGADHN CCC1(CN[C@@H](C)c2cn3c(n2)CCCC3)CC1 ZINC000925498892 712701349 /nfs/dbraw/zinc/70/13/49/712701349.db2.gz SQNCHHSWICYQSP-LBPRGKRZSA-N 0 3 247.386 3.060 20 0 BGADHN Cc1nc2c(o1)CCC[C@H]2NCC1(C(C)C)CC1 ZINC000925509792 646308461 /nfs/dbraw/zinc/30/84/61/646308461.db2.gz PZTWLWYSMUIJQP-GFCCVEGCSA-N 0 3 248.370 3.386 20 0 BGADHN Cc1nc2c(o1)CCC[C@@H]2NCC1(C(C)C)CC1 ZINC000925509793 646307828 /nfs/dbraw/zinc/30/78/28/646307828.db2.gz PZTWLWYSMUIJQP-LBPRGKRZSA-N 0 3 248.370 3.386 20 0 BGADHN Cc1nc2c(o1)CCC[C@H]2NCCC1CCC1 ZINC000925520930 633883029 /nfs/dbraw/zinc/88/30/29/633883029.db2.gz YVWBZRDITCSLLR-GFCCVEGCSA-N 0 3 234.343 3.140 20 0 BGADHN Cc1nc2c(o1)CCC[C@@H]2NCCC1CCC1 ZINC000925520934 633882402 /nfs/dbraw/zinc/88/24/02/633882402.db2.gz YVWBZRDITCSLLR-LBPRGKRZSA-N 0 3 234.343 3.140 20 0 BGADHN C[C@@H](NCCCF)c1cc(-c2ccccc2)no1 ZINC000925555744 646331915 /nfs/dbraw/zinc/33/19/15/646331915.db2.gz GDCCFSIHYUCBMR-LLVKDONJSA-N 0 3 248.301 3.352 20 0 BGADHN C[C@H](NCCCF)c1cc(-c2ccccc2)no1 ZINC000925555746 646330894 /nfs/dbraw/zinc/33/08/94/646330894.db2.gz GDCCFSIHYUCBMR-NSHDSACASA-N 0 3 248.301 3.352 20 0 BGADHN C[C@@H](N[C@H]1CCCC(F)(F)C1)c1ccns1 ZINC000925562089 646335398 /nfs/dbraw/zinc/33/53/98/646335398.db2.gz GUKUTQNLEJIFQE-BDAKNGLRSA-N 0 3 246.326 3.372 20 0 BGADHN C[C@H](N[C@@H]1CCCC(F)(F)C1)c1ccns1 ZINC000925562090 646335541 /nfs/dbraw/zinc/33/55/41/646335541.db2.gz GUKUTQNLEJIFQE-DTWKUNHWSA-N 0 3 246.326 3.372 20 0 BGADHN C[C@H](N[C@H]1CCCC(F)(F)C1)c1ccns1 ZINC000925562291 646335916 /nfs/dbraw/zinc/33/59/16/646335916.db2.gz GUKUTQNLEJIFQE-IUCAKERBSA-N 0 3 246.326 3.372 20 0 BGADHN C[C@@H](N[C@@H]1CCCC(F)(F)C1)c1ccns1 ZINC000925562292 646336420 /nfs/dbraw/zinc/33/64/20/646336420.db2.gz GUKUTQNLEJIFQE-RKDXNWHRSA-N 0 3 246.326 3.372 20 0 BGADHN CC(C)C(N[C@@H](C)c1ncco1)C(C)C ZINC000925567929 646337096 /nfs/dbraw/zinc/33/70/96/646337096.db2.gz RTSKWHTYSFPNMQ-JTQLQIEISA-N 0 3 210.321 3.006 20 0 BGADHN CC(C)C(N[C@H](C)c1ncco1)C(C)C ZINC000925567930 646336988 /nfs/dbraw/zinc/33/69/88/646336988.db2.gz RTSKWHTYSFPNMQ-SNVBAGLBSA-N 0 3 210.321 3.006 20 0 BGADHN Fc1cccc(CNC2CC3(C2)CCCC3)n1 ZINC000925591739 646348708 /nfs/dbraw/zinc/34/87/08/646348708.db2.gz CVCDQYXJIZLWCV-UHFFFAOYSA-N 0 3 234.318 3.033 20 0 BGADHN CC(C)(C)[C@H](NCc1ncccc1F)C1CC1 ZINC000925599060 634119188 /nfs/dbraw/zinc/11/91/88/634119188.db2.gz OGPSUNHMCZBMCW-CYBMUJFWSA-N 0 3 236.334 3.135 20 0 BGADHN CC(C)(C)[C@@H](NCc1ncccc1F)C1CC1 ZINC000925599061 634120243 /nfs/dbraw/zinc/12/02/43/634120243.db2.gz OGPSUNHMCZBMCW-ZDUSSCGKSA-N 0 3 236.334 3.135 20 0 BGADHN Cc1nc2c(o1)CCC[C@H]2N[C@@H](C)CC(C)C ZINC000925602055 634129858 /nfs/dbraw/zinc/12/98/58/634129858.db2.gz PWHLOJZLOUTHSX-CMPLNLGQSA-N 0 3 236.359 3.385 20 0 BGADHN Cc1nc2c(o1)CCC[C@@H]2N[C@@H](C)CC(C)C ZINC000925602057 634129918 /nfs/dbraw/zinc/12/99/18/634129918.db2.gz PWHLOJZLOUTHSX-JQWIXIFHSA-N 0 3 236.359 3.385 20 0 BGADHN Cc1nc2c(o1)CCC[C@@H]2N[C@H](C)CC(C)C ZINC000925602058 634129543 /nfs/dbraw/zinc/12/95/43/634129543.db2.gz PWHLOJZLOUTHSX-PWSUYJOCSA-N 0 3 236.359 3.385 20 0 BGADHN Cc1nc2c(o1)CCC[C@H]2N[C@H](C)CC(C)C ZINC000925602059 634130353 /nfs/dbraw/zinc/13/03/53/634130353.db2.gz PWHLOJZLOUTHSX-ZYHUDNBSSA-N 0 3 236.359 3.385 20 0 BGADHN C[C@H]([NH2+]CC1(C2CC2)CC1)c1cc([O-])cc(F)c1 ZINC000925612344 646361140 /nfs/dbraw/zinc/36/11/40/646361140.db2.gz KATASXRQAUVRHW-JTQLQIEISA-N 0 3 249.329 3.372 20 0 BGADHN C[C@@H]([NH2+]CC1(C2CC2)CC1)c1cc([O-])cc(F)c1 ZINC000925612345 646359745 /nfs/dbraw/zinc/35/97/45/646359745.db2.gz KATASXRQAUVRHW-SNVBAGLBSA-N 0 3 249.329 3.372 20 0 BGADHN Cc1nc2c(o1)CCC[C@H]2NCC1(C2CC2)CC1 ZINC000925612626 634152637 /nfs/dbraw/zinc/15/26/37/634152637.db2.gz MUQBSODATACWBS-GFCCVEGCSA-N 0 3 246.354 3.140 20 0 BGADHN Cc1nc2c(o1)CCC[C@@H]2NCC1(C2CC2)CC1 ZINC000925612627 634152366 /nfs/dbraw/zinc/15/23/66/634152366.db2.gz MUQBSODATACWBS-LBPRGKRZSA-N 0 3 246.354 3.140 20 0 BGADHN C[C@@H]([NH2+][C@H](C)C1CCC1)c1cc([O-])cc(F)c1 ZINC000925635845 646381041 /nfs/dbraw/zinc/38/10/41/646381041.db2.gz PJWUDVDVHVYMCU-NXEZZACHSA-N 0 3 237.318 3.371 20 0 BGADHN C[C@H]([NH2+][C@@H](C)C1CCC1)c1cc([O-])cc(F)c1 ZINC000925635846 646380603 /nfs/dbraw/zinc/38/06/03/646380603.db2.gz PJWUDVDVHVYMCU-UWVGGRQHSA-N 0 3 237.318 3.371 20 0 BGADHN C[C@@H]([NH2+][C@@H](C)C1CCC1)c1cc([O-])cc(F)c1 ZINC000925635847 646379247 /nfs/dbraw/zinc/37/92/47/646379247.db2.gz PJWUDVDVHVYMCU-VHSXEESVSA-N 0 3 237.318 3.371 20 0 BGADHN C[C@@H]([NH2+][C@@H](C)c1cc([O-])cc(F)c1)C1CCC1 ZINC000925635848 646380832 /nfs/dbraw/zinc/38/08/32/646380832.db2.gz PJWUDVDVHVYMCU-ZJUUUORDSA-N 0 3 237.318 3.371 20 0 BGADHN C[C@@H]([NH2+][C@H](C)C1(C)CC1)c1cc([O-])cc(F)c1 ZINC000925776530 646476181 /nfs/dbraw/zinc/47/61/81/646476181.db2.gz LCWQPCJTKAJYLI-NXEZZACHSA-N 0 3 237.318 3.371 20 0 BGADHN C[C@H]([NH2+][C@@H](C)C1(C)CC1)c1cc([O-])cc(F)c1 ZINC000925776531 646475332 /nfs/dbraw/zinc/47/53/32/646475332.db2.gz LCWQPCJTKAJYLI-UWVGGRQHSA-N 0 3 237.318 3.371 20 0 BGADHN C[C@@H]([NH2+][C@@H](C)c1cc([O-])cc(F)c1)C1(C)CC1 ZINC000925776532 646474882 /nfs/dbraw/zinc/47/48/82/646474882.db2.gz LCWQPCJTKAJYLI-VHSXEESVSA-N 0 3 237.318 3.371 20 0 BGADHN C[C@@H]([NH2+][C@@H](C)C1(C)CC1)c1cc([O-])cc(F)c1 ZINC000925776533 646475691 /nfs/dbraw/zinc/47/56/91/646475691.db2.gz LCWQPCJTKAJYLI-ZJUUUORDSA-N 0 3 237.318 3.371 20 0 BGADHN Cc1nc2c(o1)CCC[C@H]2N[C@@H](C)C1(C)CC1 ZINC000925776825 646476223 /nfs/dbraw/zinc/47/62/23/646476223.db2.gz MOASMRJMGQCXFT-GXSJLCMTSA-N 0 3 234.343 3.139 20 0 BGADHN Cc1nc2c(o1)CCC[C@@H]2N[C@H](C)C1(C)CC1 ZINC000925776826 646475856 /nfs/dbraw/zinc/47/58/56/646475856.db2.gz MOASMRJMGQCXFT-KOLCDFICSA-N 0 3 234.343 3.139 20 0 BGADHN Cc1nc2c(o1)CCC[C@H]2N[C@H](C)C1(C)CC1 ZINC000925776827 646474800 /nfs/dbraw/zinc/47/48/00/646474800.db2.gz MOASMRJMGQCXFT-MWLCHTKSSA-N 0 3 234.343 3.139 20 0 BGADHN Cc1nc2c(o1)CCC[C@@H]2N[C@@H](C)C1(C)CC1 ZINC000925776828 646476155 /nfs/dbraw/zinc/47/61/55/646476155.db2.gz MOASMRJMGQCXFT-ONGXEEELSA-N 0 3 234.343 3.139 20 0 BGADHN C[C@@H](NC1(c2ccccc2)CC1)C1(Cl)CC1 ZINC000925825867 635428546 /nfs/dbraw/zinc/42/85/46/635428546.db2.gz IZQHGVJABKIAAQ-LLVKDONJSA-N 0 3 235.758 3.425 20 0 BGADHN C[C@H](NC1(c2ccccc2)CC1)C1(Cl)CC1 ZINC000925825868 635431195 /nfs/dbraw/zinc/43/11/95/635431195.db2.gz IZQHGVJABKIAAQ-NSHDSACASA-N 0 3 235.758 3.425 20 0 BGADHN CC(C)C(C(C)C)[C@@H](C)NCc1cocn1 ZINC000925870049 635579166 /nfs/dbraw/zinc/57/91/66/635579166.db2.gz UDKKAWOHSRWWTA-LLVKDONJSA-N 0 3 224.348 3.081 20 0 BGADHN CC(C)C(C(C)C)[C@H](C)NCc1cocn1 ZINC000925870053 635579942 /nfs/dbraw/zinc/57/99/42/635579942.db2.gz UDKKAWOHSRWWTA-NSHDSACASA-N 0 3 224.348 3.081 20 0 BGADHN C[C@@H]([NH2+]C1(C2CC2)CC1)c1cc([O-])cc(F)c1 ZINC000925896690 646535474 /nfs/dbraw/zinc/53/54/74/646535474.db2.gz RBIWWCRTBDGDGD-SECBINFHSA-N 0 3 235.302 3.125 20 0 BGADHN C[C@H]([NH2+]C1(C2CC2)CC1)c1cc([O-])cc(F)c1 ZINC000925896692 646534764 /nfs/dbraw/zinc/53/47/64/646534764.db2.gz RBIWWCRTBDGDGD-VIFPVBQESA-N 0 3 235.302 3.125 20 0 BGADHN Cc1noc(C)c1[C@@H](C)N[C@@H]1CCC(F)(F)C1 ZINC000925930576 635643436 /nfs/dbraw/zinc/64/34/36/635643436.db2.gz WFQADEABECZORN-GMSGAONNSA-N 0 3 244.285 3.130 20 0 BGADHN Cc1noc(C)c1[C@H](C)N[C@@H]1CCC(F)(F)C1 ZINC000925930577 635643171 /nfs/dbraw/zinc/64/31/71/635643171.db2.gz WFQADEABECZORN-OIBJUYFYSA-N 0 3 244.285 3.130 20 0 BGADHN Cc1noc(C)c1[C@@H](C)N[C@H]1CCC(F)(F)C1 ZINC000925930578 635643381 /nfs/dbraw/zinc/64/33/81/635643381.db2.gz WFQADEABECZORN-XCBNKYQSSA-N 0 3 244.285 3.130 20 0 BGADHN Cc1noc(C)c1[C@H](C)N[C@H]1CCC(F)(F)C1 ZINC000925930579 635642602 /nfs/dbraw/zinc/64/26/02/635642602.db2.gz WFQADEABECZORN-XVKPBYJWSA-N 0 3 244.285 3.130 20 0 BGADHN Cc1cc(C)nc(NC2CC3(C2)CO[C@H](C)C3)c1 ZINC000925935393 646545743 /nfs/dbraw/zinc/54/57/43/646545743.db2.gz WFGKJQYYSNVXHI-DNOWBOINSA-N 0 3 246.354 3.068 20 0 BGADHN Cc1cc(C)nc(NC2CC3(C2)CO[C@@H](C)C3)c1 ZINC000925935395 646546391 /nfs/dbraw/zinc/54/63/91/646546391.db2.gz WFGKJQYYSNVXHI-OPFPJEHXSA-N 0 3 246.354 3.068 20 0 BGADHN C[C@@H](N[C@@H](C)C1(Cl)CC1)c1cncc(F)c1 ZINC000926126563 646579175 /nfs/dbraw/zinc/57/91/75/646579175.db2.gz DSTAEHZEVOCDQN-BDAKNGLRSA-N 0 3 242.725 3.031 20 0 BGADHN C[C@@H](N[C@@H](C)c1cncc(F)c1)C1(Cl)CC1 ZINC000926126565 646579815 /nfs/dbraw/zinc/57/98/15/646579815.db2.gz DSTAEHZEVOCDQN-DTWKUNHWSA-N 0 3 242.725 3.031 20 0 BGADHN C[C@H](N[C@@H](C)C1(Cl)CC1)c1cncc(F)c1 ZINC000926126566 646579508 /nfs/dbraw/zinc/57/95/08/646579508.db2.gz DSTAEHZEVOCDQN-IUCAKERBSA-N 0 3 242.725 3.031 20 0 BGADHN C[C@@H](N[C@H](C)C1(Cl)CC1)c1cncc(F)c1 ZINC000926126923 646578713 /nfs/dbraw/zinc/57/87/13/646578713.db2.gz DSTAEHZEVOCDQN-RKDXNWHRSA-N 0 3 242.725 3.031 20 0 BGADHN C[C@@H](NCCC1=CCCCCC1)c1cn(C)cn1 ZINC000926185987 646591076 /nfs/dbraw/zinc/59/10/76/646591076.db2.gz BOJQHVPWPWDSRH-CYBMUJFWSA-N 0 3 247.386 3.351 20 0 BGADHN C[C@H](NCCC1=CCCCCC1)c1cn(C)cn1 ZINC000926185988 646590096 /nfs/dbraw/zinc/59/00/96/646590096.db2.gz BOJQHVPWPWDSRH-ZDUSSCGKSA-N 0 3 247.386 3.351 20 0 BGADHN OCC[C@@H](NC1CC2(C1)CCCC2)c1ccco1 ZINC000926197654 646592576 /nfs/dbraw/zinc/59/25/76/646592576.db2.gz QLBGHZJJQJISKJ-CYBMUJFWSA-N 0 3 249.354 3.016 20 0 BGADHN OCC[C@H](NC1CC2(C1)CCCC2)c1ccco1 ZINC000926197656 646591878 /nfs/dbraw/zinc/59/18/78/646591878.db2.gz QLBGHZJJQJISKJ-ZDUSSCGKSA-N 0 3 249.354 3.016 20 0 BGADHN Cc1nc2c(o1)CCC[C@@H]2N[C@H]1CC[C@H](C)C1 ZINC000926233478 646601501 /nfs/dbraw/zinc/60/15/01/646601501.db2.gz VWRPFCBJXOCHAM-DLOVCJGASA-N 0 3 234.343 3.139 20 0 BGADHN Cc1nc2c(o1)CCC[C@@H]2N[C@@H]1CC[C@@H](C)C1 ZINC000926233479 646602051 /nfs/dbraw/zinc/60/20/51/646602051.db2.gz VWRPFCBJXOCHAM-JLLWLGSASA-N 0 3 234.343 3.139 20 0 BGADHN Cc1nc2c(o1)CCC[C@@H]2N[C@H]1CC[C@@H](C)C1 ZINC000926233480 646601782 /nfs/dbraw/zinc/60/17/82/646601782.db2.gz VWRPFCBJXOCHAM-USWWRNFRSA-N 0 3 234.343 3.139 20 0 BGADHN Cc1nc2c(o1)CCC[C@@H]2N[C@@H]1CC[C@H](C)C1 ZINC000926233481 646601387 /nfs/dbraw/zinc/60/13/87/646601387.db2.gz VWRPFCBJXOCHAM-WCQGTBRESA-N 0 3 234.343 3.139 20 0 BGADHN Cc1nc2c(o1)CCC[C@H]2NCC1CC(C)(C)C1 ZINC000926240640 646602537 /nfs/dbraw/zinc/60/25/37/646602537.db2.gz ZPJQRZAYYCDHEX-GFCCVEGCSA-N 0 3 248.370 3.386 20 0 BGADHN Cc1nc2c(o1)CCC[C@@H]2NCC1CC(C)(C)C1 ZINC000926240642 646603480 /nfs/dbraw/zinc/60/34/80/646603480.db2.gz ZPJQRZAYYCDHEX-LBPRGKRZSA-N 0 3 248.370 3.386 20 0 BGADHN COc1cc([C@H](C)NCC(C)(C)C(C)C)on1 ZINC000926245352 646604882 /nfs/dbraw/zinc/60/48/82/646604882.db2.gz YNGVHDNIEFLBNZ-JTQLQIEISA-N 0 3 240.347 3.016 20 0 BGADHN COc1cc([C@@H](C)NCC(C)(C)C(C)C)on1 ZINC000926245353 646604269 /nfs/dbraw/zinc/60/42/69/646604269.db2.gz YNGVHDNIEFLBNZ-SNVBAGLBSA-N 0 3 240.347 3.016 20 0 BGADHN CC(C)=CCN[C@H](C)c1cccc2c1OCO2 ZINC000926264111 646608992 /nfs/dbraw/zinc/60/89/92/646608992.db2.gz BZCCDBFUPPHGLC-LLVKDONJSA-N 0 3 233.311 3.032 20 0 BGADHN CC(C)=CCN[C@@H](C)c1cccc2c1OCO2 ZINC000926264112 646609283 /nfs/dbraw/zinc/60/92/83/646609283.db2.gz BZCCDBFUPPHGLC-NSHDSACASA-N 0 3 233.311 3.032 20 0 BGADHN CC(C)=CCN[C@@H]1CCc2c1nccc2Cl ZINC000926264190 646608181 /nfs/dbraw/zinc/60/81/81/646608181.db2.gz DJVMONQANVKNRF-GFCCVEGCSA-N 0 3 236.746 3.278 20 0 BGADHN CC(C)=CCN[C@H]1CCc2c1nccc2Cl ZINC000926264191 646608901 /nfs/dbraw/zinc/60/89/01/646608901.db2.gz DJVMONQANVKNRF-LBPRGKRZSA-N 0 3 236.746 3.278 20 0 BGADHN CC(C)=CCN[C@@H](C)c1cc(O)cc(F)c1 ZINC000926264270 646608397 /nfs/dbraw/zinc/60/83/97/646608397.db2.gz FPKOEMMGRVUULE-JTQLQIEISA-N 0 3 223.291 3.148 20 0 BGADHN CC(C)=CCN[C@H](C)c1cc(O)cc(F)c1 ZINC000926264271 646608867 /nfs/dbraw/zinc/60/88/67/646608867.db2.gz FPKOEMMGRVUULE-SNVBAGLBSA-N 0 3 223.291 3.148 20 0 BGADHN CC(C)=CCCN[C@H](C)c1cn2c(n1)CCCC2 ZINC000926265401 646608529 /nfs/dbraw/zinc/60/85/29/646608529.db2.gz MDFMTYLJUUKXKG-CYBMUJFWSA-N 0 3 247.386 3.226 20 0 BGADHN CC(C)=CCCN[C@@H](C)c1cn2c(n1)CCCC2 ZINC000926265402 646608742 /nfs/dbraw/zinc/60/87/42/646608742.db2.gz MDFMTYLJUUKXKG-ZDUSSCGKSA-N 0 3 247.386 3.226 20 0 BGADHN CC(C)=CCN[C@H](C)c1ccnn1C1CCC1 ZINC000926266269 646608016 /nfs/dbraw/zinc/60/80/16/646608016.db2.gz SFSKGVOZZBHRNB-GFCCVEGCSA-N 0 3 233.359 3.225 20 0 BGADHN CC(C)=CCN[C@@H](C)c1ccnn1C1CCC1 ZINC000926266270 646608244 /nfs/dbraw/zinc/60/82/44/646608244.db2.gz SFSKGVOZZBHRNB-LBPRGKRZSA-N 0 3 233.359 3.225 20 0 BGADHN CC(C)=CCN[C@H](C)c1cnn(C2CCC2)c1 ZINC000926266282 646609187 /nfs/dbraw/zinc/60/91/87/646609187.db2.gz SMULNHSZGNHVAK-GFCCVEGCSA-N 0 3 233.359 3.225 20 0 BGADHN CC(C)=CCN[C@@H](C)c1cnn(C2CCC2)c1 ZINC000926266283 646608722 /nfs/dbraw/zinc/60/87/22/646608722.db2.gz SMULNHSZGNHVAK-LBPRGKRZSA-N 0 3 233.359 3.225 20 0 BGADHN CC[C@@H](NCC=C(C)C)c1cccc(OC)n1 ZINC000926266584 646609290 /nfs/dbraw/zinc/60/92/90/646609290.db2.gz UKJSQUUCFLCNLF-GFCCVEGCSA-N 0 3 234.343 3.097 20 0 BGADHN CC[C@H](NCC=C(C)C)c1cccc(OC)n1 ZINC000926266585 646608562 /nfs/dbraw/zinc/60/85/62/646608562.db2.gz UKJSQUUCFLCNLF-LBPRGKRZSA-N 0 3 234.343 3.097 20 0 BGADHN CC(C)=CCN[C@H](C)c1ccnn1CC1CCC1 ZINC000926267528 646609210 /nfs/dbraw/zinc/60/92/10/646609210.db2.gz YDTCRLNNFMEVFY-CYBMUJFWSA-N 0 3 247.386 3.300 20 0 BGADHN CC(C)=CCN[C@@H](C)c1ccnn1CC1CCC1 ZINC000926267529 646608623 /nfs/dbraw/zinc/60/86/23/646608623.db2.gz YDTCRLNNFMEVFY-ZDUSSCGKSA-N 0 3 247.386 3.300 20 0 BGADHN CC(C)=CCCN[C@@H]1CCCc2oc(C)nc21 ZINC000926267548 646609055 /nfs/dbraw/zinc/60/90/55/646609055.db2.gz YQMJGPHMBSLXKO-GFCCVEGCSA-N 0 3 234.343 3.306 20 0 BGADHN CC(C)=CCCN[C@H]1CCCc2oc(C)nc21 ZINC000926267549 646608147 /nfs/dbraw/zinc/60/81/47/646608147.db2.gz YQMJGPHMBSLXKO-LBPRGKRZSA-N 0 3 234.343 3.306 20 0 BGADHN CCC(C)(C)CN[C@@H]1CCCc2oc(C)nc21 ZINC000926281341 631539834 /nfs/dbraw/zinc/53/98/34/631539834.db2.gz NSAPNKNXYATRCX-LLVKDONJSA-N 0 3 236.359 3.386 20 0 BGADHN CCC(C)(C)CN[C@H]1CCCc2oc(C)nc21 ZINC000926281343 631541638 /nfs/dbraw/zinc/54/16/38/631541638.db2.gz NSAPNKNXYATRCX-NSHDSACASA-N 0 3 236.359 3.386 20 0 BGADHN COc1ccnc([C@@H](C)N[C@@H]2CC23CCCC3)c1 ZINC000926282737 646610658 /nfs/dbraw/zinc/61/06/58/646610658.db2.gz DKWBSGTYNDVPAL-BXUZGUMPSA-N 0 3 246.354 3.074 20 0 BGADHN COc1ccnc([C@H](C)N[C@H]2CC23CCCC3)c1 ZINC000926282738 646609877 /nfs/dbraw/zinc/60/98/77/646609877.db2.gz DKWBSGTYNDVPAL-FZMZJTMJSA-N 0 3 246.354 3.074 20 0 BGADHN COc1ccnc([C@@H](C)N[C@H]2CC23CCCC3)c1 ZINC000926282739 646610250 /nfs/dbraw/zinc/61/02/50/646610250.db2.gz DKWBSGTYNDVPAL-RISCZKNCSA-N 0 3 246.354 3.074 20 0 BGADHN COc1ccnc([C@H](C)N[C@@H]2CC23CCCC3)c1 ZINC000926282740 631543156 /nfs/dbraw/zinc/54/31/56/631543156.db2.gz DKWBSGTYNDVPAL-SMDDNHRTSA-N 0 3 246.354 3.074 20 0 BGADHN C[C@H](N[C@@H]1CC12CCCC2)c1ccns1 ZINC000926282782 646610553 /nfs/dbraw/zinc/61/05/53/646610553.db2.gz DYSSPDMJELZWSM-GXSJLCMTSA-N 0 3 222.357 3.126 20 0 BGADHN C[C@@H](N[C@H]1CC12CCCC2)c1ccns1 ZINC000926282783 646609126 /nfs/dbraw/zinc/60/91/26/646609126.db2.gz DYSSPDMJELZWSM-KOLCDFICSA-N 0 3 222.357 3.126 20 0 BGADHN C[C@@H](N[C@@H]1CC12CCCC2)c1ccns1 ZINC000926282784 646609300 /nfs/dbraw/zinc/60/93/00/646609300.db2.gz DYSSPDMJELZWSM-MWLCHTKSSA-N 0 3 222.357 3.126 20 0 BGADHN C[C@H](N[C@H]1CC12CCCC2)c1ccns1 ZINC000926282785 646608572 /nfs/dbraw/zinc/60/85/72/646608572.db2.gz DYSSPDMJELZWSM-ONGXEEELSA-N 0 3 222.357 3.126 20 0 BGADHN Cc1noc(C)c1[C@@H](C)N[C@@H]1CC12CCCC2 ZINC000926285621 631548318 /nfs/dbraw/zinc/54/83/18/631548318.db2.gz SYGWUUOVPJPISC-BXKDBHETSA-N 0 3 234.343 3.275 20 0 BGADHN Cc1noc(C)c1[C@H](C)N[C@H]1CC12CCCC2 ZINC000926285622 631547513 /nfs/dbraw/zinc/54/75/13/631547513.db2.gz SYGWUUOVPJPISC-CABZTGNLSA-N 0 3 234.343 3.275 20 0 BGADHN Cc1noc(C)c1[C@H](C)N[C@@H]1CC12CCCC2 ZINC000926285623 631546722 /nfs/dbraw/zinc/54/67/22/631546722.db2.gz SYGWUUOVPJPISC-JOYOIKCWSA-N 0 3 234.343 3.275 20 0 BGADHN Cc1noc(C)c1[C@@H](C)N[C@H]1CC12CCCC2 ZINC000926285624 631546101 /nfs/dbraw/zinc/54/61/01/631546101.db2.gz SYGWUUOVPJPISC-SKDRFNHKSA-N 0 3 234.343 3.275 20 0 BGADHN Cc1nc2c(o1)CCC[C@H]2NCCC1(C)CC1 ZINC000926327199 646617929 /nfs/dbraw/zinc/61/79/29/646617929.db2.gz SWKINSKIEPOYLY-LLVKDONJSA-N 0 3 234.343 3.140 20 0 BGADHN Cc1nc2c(o1)CCC[C@@H]2NCCC1(C)CC1 ZINC000926327201 646616725 /nfs/dbraw/zinc/61/67/25/646616725.db2.gz SWKINSKIEPOYLY-NSHDSACASA-N 0 3 234.343 3.140 20 0 BGADHN Cc1nc2c(o1)CCC[C@@H]2NC[C@H]1CC[C@H](C)C1 ZINC000926339991 711573586 /nfs/dbraw/zinc/57/35/86/711573586.db2.gz UZXZSFWMUWCEMP-DRZSPHRISA-N 0 3 248.370 3.386 20 0 BGADHN Cc1nc2c(o1)CCC[C@@H]2NC[C@@H]1CC[C@@H](C)C1 ZINC000926339994 711573540 /nfs/dbraw/zinc/57/35/40/711573540.db2.gz UZXZSFWMUWCEMP-RTXFEEFZSA-N 0 3 248.370 3.386 20 0 BGADHN Cc1nc2c(o1)CCC[C@@H]2NC[C@@H]1CC[C@H](C)C1 ZINC000926340004 711573519 /nfs/dbraw/zinc/57/35/19/711573519.db2.gz UZXZSFWMUWCEMP-UHTWSYAYSA-N 0 3 248.370 3.386 20 0 BGADHN Cc1nc2c(o1)CCC[C@@H]2NC[C@H]1CC[C@@H](C)C1 ZINC000926340007 711573536 /nfs/dbraw/zinc/57/35/36/711573536.db2.gz UZXZSFWMUWCEMP-WXHSDQCUSA-N 0 3 248.370 3.386 20 0 BGADHN Cc1nc2c(o1)CCC[C@@H]2NC[C@@H]1CCC[C@@H]1C ZINC000926351932 631732200 /nfs/dbraw/zinc/73/22/00/631732200.db2.gz AAEWEDRWQUGPDX-DRZSPHRISA-N 0 3 248.370 3.386 20 0 BGADHN Cc1nc2c(o1)CCC[C@@H]2NC[C@H]1CCC[C@H]1C ZINC000926351940 631733083 /nfs/dbraw/zinc/73/30/83/631733083.db2.gz AAEWEDRWQUGPDX-RTXFEEFZSA-N 0 3 248.370 3.386 20 0 BGADHN Cc1nc2c(o1)CCC[C@@H]2NC[C@H]1CCC[C@@H]1C ZINC000926351945 631732216 /nfs/dbraw/zinc/73/22/16/631732216.db2.gz AAEWEDRWQUGPDX-UHTWSYAYSA-N 0 3 248.370 3.386 20 0 BGADHN Cc1nc2c(o1)CCC[C@@H]2NC[C@@H]1CCC[C@H]1C ZINC000926351952 631732384 /nfs/dbraw/zinc/73/23/84/631732384.db2.gz AAEWEDRWQUGPDX-WXHSDQCUSA-N 0 3 248.370 3.386 20 0 BGADHN C[C@H](NC(C1CCC1)C1CCC1)c1ncco1 ZINC000926416094 646632301 /nfs/dbraw/zinc/63/23/01/646632301.db2.gz DWMJYMMNXNWLOP-JTQLQIEISA-N 0 3 234.343 3.294 20 0 BGADHN C[C@@H](NC(C1CCC1)C1CCC1)c1ncco1 ZINC000926416096 646632953 /nfs/dbraw/zinc/63/29/53/646632953.db2.gz DWMJYMMNXNWLOP-SNVBAGLBSA-N 0 3 234.343 3.294 20 0 BGADHN Cc1nc2c(o1)CCC[C@@H]2N[C@@H]1CCC1(C)C ZINC000926423124 631974839 /nfs/dbraw/zinc/97/48/39/631974839.db2.gz YRIGXIVLWAQFFA-CMPLNLGQSA-N 0 3 234.343 3.139 20 0 BGADHN Cc1nc2c(o1)CCC[C@@H]2N[C@H]1CCC1(C)C ZINC000926423129 631974878 /nfs/dbraw/zinc/97/48/78/631974878.db2.gz YRIGXIVLWAQFFA-JQWIXIFHSA-N 0 3 234.343 3.139 20 0 BGADHN Cc1nc2c(o1)CCC[C@H]2N[C@H]1CCC1(C)C ZINC000926423132 631975417 /nfs/dbraw/zinc/97/54/17/631975417.db2.gz YRIGXIVLWAQFFA-PWSUYJOCSA-N 0 3 234.343 3.139 20 0 BGADHN Cc1nc2c(o1)CCC[C@H]2N[C@@H]1CCC1(C)C ZINC000926423136 631975403 /nfs/dbraw/zinc/97/54/03/631975403.db2.gz YRIGXIVLWAQFFA-ZYHUDNBSSA-N 0 3 234.343 3.139 20 0 BGADHN C[C@H](N[C@H]1CCC1(C)C)c1cn2c(n1)CCCC2 ZINC000926425124 646635656 /nfs/dbraw/zinc/63/56/56/646635656.db2.gz XDOQRBNNCXOFEP-AAEUAGOBSA-N 0 3 247.386 3.059 20 0 BGADHN C[C@@H](N[C@@H]1CCC1(C)C)c1cn2c(n1)CCCC2 ZINC000926425125 646635272 /nfs/dbraw/zinc/63/52/72/646635272.db2.gz XDOQRBNNCXOFEP-DGCLKSJQSA-N 0 3 247.386 3.059 20 0 BGADHN C[C@H](N[C@@H]1CCC1(C)C)c1cn2c(n1)CCCC2 ZINC000926425126 646635510 /nfs/dbraw/zinc/63/55/10/646635510.db2.gz XDOQRBNNCXOFEP-WCQYABFASA-N 0 3 247.386 3.059 20 0 BGADHN C[C@@H](N[C@H]1CCC1(C)C)c1cn2c(n1)CCCC2 ZINC000926425127 646635927 /nfs/dbraw/zinc/63/59/27/646635927.db2.gz XDOQRBNNCXOFEP-YPMHNXCESA-N 0 3 247.386 3.059 20 0 BGADHN Cc1ccoc1CN[C@H]1CCOC12CCCCC2 ZINC000926471104 646652689 /nfs/dbraw/zinc/65/26/89/646652689.db2.gz NDNSFMGCTUMGPC-AWEZNQCLSA-N 0 3 249.354 3.169 20 0 BGADHN Cc1ccoc1CN[C@@H]1CCOC12CCCCC2 ZINC000926471105 646652041 /nfs/dbraw/zinc/65/20/41/646652041.db2.gz NDNSFMGCTUMGPC-CQSZACIVSA-N 0 3 249.354 3.169 20 0 BGADHN CCc1nc(C)c(CNC2CC3(C2)CCCC3)o1 ZINC000926476621 632109014 /nfs/dbraw/zinc/10/90/14/632109014.db2.gz BBEMKFVLOJXKHU-UHFFFAOYSA-N 0 3 248.370 3.358 20 0 BGADHN Cc1nonc1[C@@H](C)NCC(C)(C)C(C)(C)C ZINC000926481143 632116890 /nfs/dbraw/zinc/11/68/90/632116890.db2.gz OFLWFJDTDOCFSP-SECBINFHSA-N 0 3 239.363 3.101 20 0 BGADHN Cc1nonc1[C@H](C)NCC(C)(C)C(C)(C)C ZINC000926481149 632116868 /nfs/dbraw/zinc/11/68/68/632116868.db2.gz OFLWFJDTDOCFSP-VIFPVBQESA-N 0 3 239.363 3.101 20 0 BGADHN CC(C)C1([NH2+][C@@H](C)c2cc([O-])cc(F)c2)CC1 ZINC000926487739 646658700 /nfs/dbraw/zinc/65/87/00/646658700.db2.gz OUWRZTLWYUAECZ-JTQLQIEISA-N 0 3 237.318 3.371 20 0 BGADHN CC(C)C1([NH2+][C@H](C)c2cc([O-])cc(F)c2)CC1 ZINC000926487741 646659625 /nfs/dbraw/zinc/65/96/25/646659625.db2.gz OUWRZTLWYUAECZ-SNVBAGLBSA-N 0 3 237.318 3.371 20 0 BGADHN Cc1nc2c(o1)CCC[C@H]2NC1(C(C)C)CC1 ZINC000926488190 646659587 /nfs/dbraw/zinc/65/95/87/646659587.db2.gz WMKFNDKVEVLRLK-LLVKDONJSA-N 0 3 234.343 3.139 20 0 BGADHN Cc1nc2c(o1)CCC[C@@H]2NC1(C(C)C)CC1 ZINC000926488191 646659172 /nfs/dbraw/zinc/65/91/72/646659172.db2.gz WMKFNDKVEVLRLK-NSHDSACASA-N 0 3 234.343 3.139 20 0 BGADHN CC(C)C1(N[C@H](C)c2cn3c(n2)CCCC3)CC1 ZINC000926490882 646660201 /nfs/dbraw/zinc/66/02/01/646660201.db2.gz RCPYQJFRRJTLDD-GFCCVEGCSA-N 0 3 247.386 3.059 20 0 BGADHN CC(C)C1(N[C@@H](C)c2cn3c(n2)CCCC3)CC1 ZINC000926490883 646661082 /nfs/dbraw/zinc/66/10/82/646661082.db2.gz RCPYQJFRRJTLDD-LBPRGKRZSA-N 0 3 247.386 3.059 20 0 BGADHN C[C@@H](NC[C@H]1CCCC1(C)C)c1ncco1 ZINC000926492048 646660964 /nfs/dbraw/zinc/66/09/64/646660964.db2.gz XOFKILOZLSKUKM-GHMZBOCLSA-N 0 3 222.332 3.152 20 0 BGADHN C[C@@H](NC[C@@H]1CCCC1(C)C)c1ncco1 ZINC000926492049 646660641 /nfs/dbraw/zinc/66/06/41/646660641.db2.gz XOFKILOZLSKUKM-MNOVXSKESA-N 0 3 222.332 3.152 20 0 BGADHN C[C@H](NC[C@@H]1CCCC1(C)C)c1ncco1 ZINC000926492050 646660504 /nfs/dbraw/zinc/66/05/04/646660504.db2.gz XOFKILOZLSKUKM-QWRGUYRKSA-N 0 3 222.332 3.152 20 0 BGADHN C[C@H](NC[C@H]1CCCC1(C)C)c1ncco1 ZINC000926492051 646661018 /nfs/dbraw/zinc/66/10/18/646661018.db2.gz XOFKILOZLSKUKM-WDEREUQCSA-N 0 3 222.332 3.152 20 0 BGADHN C[C@@H]([NH2+]CCC(C)(F)F)c1cc([O-])cc(F)c1 ZINC000926495436 646662090 /nfs/dbraw/zinc/66/20/90/646662090.db2.gz REEHKQUUSGIYAL-MRVPVSSYSA-N 0 3 247.260 3.227 20 0 BGADHN C[C@H]([NH2+]CCC(C)(F)F)c1cc([O-])cc(F)c1 ZINC000926495438 646662368 /nfs/dbraw/zinc/66/23/68/646662368.db2.gz REEHKQUUSGIYAL-QMMMGPOBSA-N 0 3 247.260 3.227 20 0 BGADHN COc1ccnc([C@@H](C)NCC2=CCCCC2)c1 ZINC000926504254 646663978 /nfs/dbraw/zinc/66/39/78/646663978.db2.gz RGODBOCPXGGIQD-GFCCVEGCSA-N 0 3 246.354 3.241 20 0 BGADHN COc1ccnc([C@H](C)NCC2=CCCCC2)c1 ZINC000926504255 646664471 /nfs/dbraw/zinc/66/44/71/646664471.db2.gz RGODBOCPXGGIQD-LBPRGKRZSA-N 0 3 246.354 3.241 20 0 BGADHN CCC1([NH2+][C@H](C)c2cc([O-])cc(F)c2)CC1 ZINC000926509848 632411151 /nfs/dbraw/zinc/41/11/51/632411151.db2.gz UYANEXPNPSLTFP-SECBINFHSA-N 0 3 223.291 3.125 20 0 BGADHN CCC1([NH2+][C@@H](C)c2cc([O-])cc(F)c2)CC1 ZINC000926509849 632409905 /nfs/dbraw/zinc/40/99/05/632409905.db2.gz UYANEXPNPSLTFP-VIFPVBQESA-N 0 3 223.291 3.125 20 0 BGADHN CCC[C@@H](N[C@@H](C)c1nonc1C)C(C)(C)C ZINC000926515433 645247204 /nfs/dbraw/zinc/24/72/04/645247204.db2.gz KUMPFJIQQFAWJZ-GXSJLCMTSA-N 0 3 239.363 3.243 20 0 BGADHN CCC[C@H](N[C@H](C)c1nonc1C)C(C)(C)C ZINC000926515434 645247569 /nfs/dbraw/zinc/24/75/69/645247569.db2.gz KUMPFJIQQFAWJZ-KOLCDFICSA-N 0 3 239.363 3.243 20 0 BGADHN CCC[C@@H](N[C@H](C)c1nonc1C)C(C)(C)C ZINC000926515435 645246000 /nfs/dbraw/zinc/24/60/00/645246000.db2.gz KUMPFJIQQFAWJZ-MWLCHTKSSA-N 0 3 239.363 3.243 20 0 BGADHN CCC[C@H](N[C@@H](C)c1nonc1C)C(C)(C)C ZINC000926515436 645246709 /nfs/dbraw/zinc/24/67/09/645246709.db2.gz KUMPFJIQQFAWJZ-ONGXEEELSA-N 0 3 239.363 3.243 20 0 BGADHN CC/C=C\CN[C@H](C)c1ccnn1CC1CCC1 ZINC000926515673 632414767 /nfs/dbraw/zinc/41/47/67/632414767.db2.gz GFVUFDJGKUDHDS-DSYXLKISSA-N 0 3 247.386 3.300 20 0 BGADHN CC/C=C/CN[C@@H](C)c1ccnn1CC1CCC1 ZINC000926515685 632415650 /nfs/dbraw/zinc/41/56/50/632415650.db2.gz GFVUFDJGKUDHDS-IHVVCDCBSA-N 0 3 247.386 3.300 20 0 BGADHN CC/C=C/CN[C@H](C)c1ccnn1CC1CCC1 ZINC000926515687 632414190 /nfs/dbraw/zinc/41/41/90/632414190.db2.gz GFVUFDJGKUDHDS-MUBLQREKSA-N 0 3 247.386 3.300 20 0 BGADHN CC/C=C\CN[C@@H](C)c1ccnn1CC1CCC1 ZINC000926515694 632414429 /nfs/dbraw/zinc/41/44/29/632414429.db2.gz GFVUFDJGKUDHDS-ZFDPJTLLSA-N 0 3 247.386 3.300 20 0 BGADHN CC/C=C/CN[C@@H](C)c1cnn(C2CCC2)c1 ZINC000926516985 645248897 /nfs/dbraw/zinc/24/88/97/645248897.db2.gz RSACCSAKKACSKP-ITKZLYELSA-N 0 3 233.359 3.225 20 0 BGADHN CC/C=C\CN[C@H](C)c1cnn(C2CCC2)c1 ZINC000926516986 645249443 /nfs/dbraw/zinc/24/94/43/645249443.db2.gz RSACCSAKKACSKP-QMAVJUDZSA-N 0 3 233.359 3.225 20 0 BGADHN CC/C=C\CN[C@@H](C)c1cnn(C2CCC2)c1 ZINC000926516987 645250303 /nfs/dbraw/zinc/25/03/03/645250303.db2.gz RSACCSAKKACSKP-RXNFCKPNSA-N 0 3 233.359 3.225 20 0 BGADHN CC/C=C/CN[C@H](C)c1cnn(C2CCC2)c1 ZINC000926516988 645248837 /nfs/dbraw/zinc/24/88/37/645248837.db2.gz RSACCSAKKACSKP-ZYOFXKKJSA-N 0 3 233.359 3.225 20 0 BGADHN CC/C=C\CN[C@H](c1ccccn1)C1CCC1 ZINC000926517089 645250439 /nfs/dbraw/zinc/25/04/39/645250439.db2.gz UURBYUKUXLEJKN-QTLSWZBMSA-N 0 3 230.355 3.479 20 0 BGADHN CC/C=C/CN[C@@H](c1ccccn1)C1CCC1 ZINC000926517090 645250689 /nfs/dbraw/zinc/25/06/89/645250689.db2.gz UURBYUKUXLEJKN-SJDLMVEWSA-N 0 3 230.355 3.479 20 0 BGADHN CC/C=C/CN[C@H](c1ccccn1)C1CCC1 ZINC000926517091 645249183 /nfs/dbraw/zinc/24/91/83/645249183.db2.gz UURBYUKUXLEJKN-UJAVWCLSSA-N 0 3 230.355 3.479 20 0 BGADHN CC/C=C\CN[C@@H](c1ccccn1)C1CCC1 ZINC000926517092 645248722 /nfs/dbraw/zinc/24/87/22/645248722.db2.gz UURBYUKUXLEJKN-UYWPIULCSA-N 0 3 230.355 3.479 20 0 BGADHN CC/C=C\CN[C@@H](C)c1cc(O)cc(F)c1 ZINC000926517152 645250368 /nfs/dbraw/zinc/25/03/68/645250368.db2.gz WAKJHPVNLSCQSL-LWTINBJPSA-N 0 3 223.291 3.148 20 0 BGADHN CC/C=C/CN[C@H](C)c1cc(O)cc(F)c1 ZINC000926517153 645249228 /nfs/dbraw/zinc/24/92/28/645249228.db2.gz WAKJHPVNLSCQSL-ORAHPGNNSA-N 0 3 223.291 3.148 20 0 BGADHN CC/C=C\CN[C@H](C)c1cc(O)cc(F)c1 ZINC000926517154 645249401 /nfs/dbraw/zinc/24/94/01/645249401.db2.gz WAKJHPVNLSCQSL-UMCURTJPSA-N 0 3 223.291 3.148 20 0 BGADHN CC/C=C/CN[C@@H](C)c1cc(O)cc(F)c1 ZINC000926517155 645250261 /nfs/dbraw/zinc/25/02/61/645250261.db2.gz WAKJHPVNLSCQSL-YEZKRMTDSA-N 0 3 223.291 3.148 20 0 BGADHN CC/C=C/CN[C@@H](C)c1ccnn1C1CCC1 ZINC000926517301 645249094 /nfs/dbraw/zinc/24/90/94/645249094.db2.gz ZURHAWJPAHRZGN-ITKZLYELSA-N 0 3 233.359 3.225 20 0 BGADHN CC/C=C\CN[C@H](C)c1ccnn1C1CCC1 ZINC000926517302 645248789 /nfs/dbraw/zinc/24/87/89/645248789.db2.gz ZURHAWJPAHRZGN-QMAVJUDZSA-N 0 3 233.359 3.225 20 0 BGADHN CC/C=C\CN[C@@H](C)c1ccnn1C1CCC1 ZINC000926517303 645250106 /nfs/dbraw/zinc/25/01/06/645250106.db2.gz ZURHAWJPAHRZGN-RXNFCKPNSA-N 0 3 233.359 3.225 20 0 BGADHN CC/C=C/CN[C@H](C)c1ccnn1C1CCC1 ZINC000926517304 645249687 /nfs/dbraw/zinc/24/96/87/645249687.db2.gz ZURHAWJPAHRZGN-ZYOFXKKJSA-N 0 3 233.359 3.225 20 0 BGADHN C[C@H]1C[C@H](NC2CC3(C2)CCCC3)c2nccn21 ZINC000926530841 645258628 /nfs/dbraw/zinc/25/86/28/645258628.db2.gz DEDZSUYDGWHRJS-AAEUAGOBSA-N 0 3 245.370 3.201 20 0 BGADHN C[C@@H]1C[C@@H](NC2CC3(C2)CCCC3)c2nccn21 ZINC000926530842 645257704 /nfs/dbraw/zinc/25/77/04/645257704.db2.gz DEDZSUYDGWHRJS-DGCLKSJQSA-N 0 3 245.370 3.201 20 0 BGADHN C[C@H]1C[C@@H](NC2CC3(C2)CCCC3)c2nccn21 ZINC000926530843 645257138 /nfs/dbraw/zinc/25/71/38/645257138.db2.gz DEDZSUYDGWHRJS-WCQYABFASA-N 0 3 245.370 3.201 20 0 BGADHN C[C@@H]1C[C@H](NC2CC3(C2)CCCC3)c2nccn21 ZINC000926530844 645256413 /nfs/dbraw/zinc/25/64/13/645256413.db2.gz DEDZSUYDGWHRJS-YPMHNXCESA-N 0 3 245.370 3.201 20 0 BGADHN CCn1ccnc1[C@@H](C)NC1CC2(C1)CCCC2 ZINC000926532292 632448727 /nfs/dbraw/zinc/44/87/27/632448727.db2.gz KVNADYLNIGZLGF-GFCCVEGCSA-N 0 3 247.386 3.276 20 0 BGADHN CCn1ccnc1[C@H](C)NC1CC2(C1)CCCC2 ZINC000926532296 632447963 /nfs/dbraw/zinc/44/79/63/632447963.db2.gz KVNADYLNIGZLGF-LBPRGKRZSA-N 0 3 247.386 3.276 20 0 BGADHN Cc1nc2c(o1)CCC[C@@H]2NC[C@@H]1C[C@H]1C(C)C ZINC000926533000 645258997 /nfs/dbraw/zinc/25/89/97/645258997.db2.gz WAZLIYNCKYJAKG-AVGNSLFASA-N 0 3 248.370 3.242 20 0 BGADHN Cc1nc2c(o1)CCC[C@H]2NC[C@@H]1C[C@H]1C(C)C ZINC000926533002 645260860 /nfs/dbraw/zinc/26/08/60/645260860.db2.gz WAZLIYNCKYJAKG-RWMBFGLXSA-N 0 3 248.370 3.242 20 0 BGADHN CCc1nc(CN[C@H](C2CC2)C(C)(C)C)co1 ZINC000926536138 645263805 /nfs/dbraw/zinc/26/38/05/645263805.db2.gz JZAWFOZEVAIQMV-CYBMUJFWSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1nc(CN[C@@H](C2CC2)C(C)(C)C)co1 ZINC000926536139 645262752 /nfs/dbraw/zinc/26/27/52/645262752.db2.gz JZAWFOZEVAIQMV-ZDUSSCGKSA-N 0 3 236.359 3.151 20 0 BGADHN CCc1ncc(CNC2CC3(C2)CCCC3)o1 ZINC000926537333 645262994 /nfs/dbraw/zinc/26/29/94/645262994.db2.gz KUENVLVKIKJQFW-UHFFFAOYSA-N 0 3 234.343 3.049 20 0 BGADHN CCCc1ncc(CNC2CC3(C2)CCCC3)o1 ZINC000926538831 645262706 /nfs/dbraw/zinc/26/27/06/645262706.db2.gz VIKNZFXPBKMLSA-UHFFFAOYSA-N 0 3 248.370 3.440 20 0 BGADHN C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)c1cc([O-])cc(F)c1 ZINC000926552928 645275875 /nfs/dbraw/zinc/27/58/75/645275875.db2.gz PAPNCGNFLWVMOE-FMSQNYNMSA-N 0 3 249.329 3.228 20 0 BGADHN C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)c1cc([O-])cc(F)c1 ZINC000926552929 645277503 /nfs/dbraw/zinc/27/75/03/645277503.db2.gz PAPNCGNFLWVMOE-LYSGOOTNSA-N 0 3 249.329 3.228 20 0 BGADHN Cc1cccc([C@@H](C)N[C@H](C)c2ccnnc2)c1 ZINC000926556259 632512733 /nfs/dbraw/zinc/51/27/33/632512733.db2.gz VPVOMGOWIJFLBQ-CHWSQXEVSA-N 0 3 241.338 3.197 20 0 BGADHN Cc1cccc([C@@H](C)N[C@@H](C)c2ccnnc2)c1 ZINC000926556263 632513061 /nfs/dbraw/zinc/51/30/61/632513061.db2.gz VPVOMGOWIJFLBQ-OLZOCXBDSA-N 0 3 241.338 3.197 20 0 BGADHN Cc1cccc([C@H](C)N[C@H](C)c2ccnnc2)c1 ZINC000926556264 632513018 /nfs/dbraw/zinc/51/30/18/632513018.db2.gz VPVOMGOWIJFLBQ-QWHCGFSZSA-N 0 3 241.338 3.197 20 0 BGADHN Cc1cccc([C@H](C)N[C@@H](C)c2ccnnc2)c1 ZINC000926556265 632512538 /nfs/dbraw/zinc/51/25/38/632512538.db2.gz VPVOMGOWIJFLBQ-STQMWFEESA-N 0 3 241.338 3.197 20 0 BGADHN COc1cc([C@@H](C)N[C@H](C)CC(C)(C)C)on1 ZINC000926565497 645285569 /nfs/dbraw/zinc/28/55/69/645285569.db2.gz STUFLENGDFAWCD-NXEZZACHSA-N 0 3 240.347 3.159 20 0 BGADHN COc1cc([C@H](C)N[C@@H](C)CC(C)(C)C)on1 ZINC000926565498 645283953 /nfs/dbraw/zinc/28/39/53/645283953.db2.gz STUFLENGDFAWCD-UWVGGRQHSA-N 0 3 240.347 3.159 20 0 BGADHN COc1cc([C@@H](C)N[C@@H](C)CC(C)(C)C)on1 ZINC000926565499 645285180 /nfs/dbraw/zinc/28/51/80/645285180.db2.gz STUFLENGDFAWCD-VHSXEESVSA-N 0 3 240.347 3.159 20 0 BGADHN COc1cc([C@H](C)N[C@H](C)CC(C)(C)C)on1 ZINC000926565500 645285007 /nfs/dbraw/zinc/28/50/07/645285007.db2.gz STUFLENGDFAWCD-ZJUUUORDSA-N 0 3 240.347 3.159 20 0 BGADHN COc1ccnc([C@@H](C)N[C@@H]2C[C@H]2CC(C)C)c1 ZINC000926566752 645288020 /nfs/dbraw/zinc/28/80/20/645288020.db2.gz CPMNWNOLZCRDEY-LALPHHSUSA-N 0 3 248.370 3.175 20 0 BGADHN COc1ccnc([C@H](C)N[C@@H]2C[C@H]2CC(C)C)c1 ZINC000926566753 645287360 /nfs/dbraw/zinc/28/73/60/645287360.db2.gz CPMNWNOLZCRDEY-YWPYICTPSA-N 0 3 248.370 3.175 20 0 BGADHN Cc1noc(C)c1[C@@H](C)N[C@@H]1C[C@H]1CC(C)C ZINC000926568458 645286717 /nfs/dbraw/zinc/28/67/17/645286717.db2.gz LTEPOIWVZYNXSI-OASPWFOLSA-N 0 3 236.359 3.377 20 0 BGADHN Cc1noc(C)c1[C@H](C)N[C@@H]1C[C@H]1CC(C)C ZINC000926568462 645288103 /nfs/dbraw/zinc/28/81/03/645288103.db2.gz LTEPOIWVZYNXSI-ZWKOPEQDSA-N 0 3 236.359 3.377 20 0 BGADHN CC(C)C[C@@H]1C[C@H]1N[C@H](C)c1ccns1 ZINC000926569957 645289099 /nfs/dbraw/zinc/28/90/99/645289099.db2.gz VYFMIORJDXWETO-GMTAPVOTSA-N 0 3 224.373 3.228 20 0 BGADHN CC(C)C[C@@H]1C[C@H]1N[C@@H](C)c1ccns1 ZINC000926569959 645289603 /nfs/dbraw/zinc/28/96/03/645289603.db2.gz VYFMIORJDXWETO-HBNTYKKESA-N 0 3 224.373 3.228 20 0 BGADHN C[C@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1cc([O-])cc(F)c1 ZINC000926575352 645291420 /nfs/dbraw/zinc/29/14/20/645291420.db2.gz GILNQUILSUUEOW-OWLDWWDNSA-N 0 3 249.329 3.371 20 0 BGADHN C[C@@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1cc([O-])cc(F)c1 ZINC000926575355 645291835 /nfs/dbraw/zinc/29/18/35/645291835.db2.gz GILNQUILSUUEOW-RPVFDAQASA-N 0 3 249.329 3.371 20 0 BGADHN C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1cc([O-])cc(F)c1 ZINC000926575356 645292366 /nfs/dbraw/zinc/29/23/66/645292366.db2.gz GILNQUILSUUEOW-WVGQAWGZSA-N 0 3 249.329 3.371 20 0 BGADHN C[C@@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1cc([O-])cc(F)c1 ZINC000926575358 645291515 /nfs/dbraw/zinc/29/15/15/645291515.db2.gz GILNQUILSUUEOW-ZMRCNFHJSA-N 0 3 249.329 3.371 20 0 BGADHN Cc1nc2c(o1)CCC[C@H]2N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000926577909 645296557 /nfs/dbraw/zinc/29/65/57/645296557.db2.gz UFKVLQACVYFGNS-MROQNXINSA-N 0 3 246.354 3.139 20 0 BGADHN Cc1nc2c(o1)CCC[C@@H]2N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000926577910 645296673 /nfs/dbraw/zinc/29/66/73/645296673.db2.gz UFKVLQACVYFGNS-VOAKCMCISA-N 0 3 246.354 3.139 20 0 BGADHN Cc1nc2c(o1)CCC[C@@H]2N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000926577911 645297245 /nfs/dbraw/zinc/29/72/45/645297245.db2.gz UFKVLQACVYFGNS-XQHKEYJVSA-N 0 3 246.354 3.139 20 0 BGADHN Cc1nc2c(o1)CCC[C@H]2N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000926577912 645297749 /nfs/dbraw/zinc/29/77/49/645297749.db2.gz UFKVLQACVYFGNS-YVECIDJPSA-N 0 3 246.354 3.139 20 0 BGADHN CC1(C)C[C@@H]1N[C@@H]1CCc2c1nccc2Cl ZINC000926579439 645297885 /nfs/dbraw/zinc/29/78/85/645297885.db2.gz FAJUEYCBPYTBMZ-MNOVXSKESA-N 0 3 236.746 3.110 20 0 BGADHN CC1(C)C[C@@H]1N[C@H]1CCc2c1nccc2Cl ZINC000926579440 645297567 /nfs/dbraw/zinc/29/75/67/645297567.db2.gz FAJUEYCBPYTBMZ-QWRGUYRKSA-N 0 3 236.746 3.110 20 0 BGADHN C[C@H](N[C@@H]1CCCC[C@H]1F)C1(Cl)CC1 ZINC000926588510 645302497 /nfs/dbraw/zinc/30/24/97/645302497.db2.gz YMJUNDIELDRNGS-IVZWLZJFSA-N 0 3 219.731 3.017 20 0 BGADHN C[C@@H](N[C@@H]1CCCC[C@H]1F)C1(Cl)CC1 ZINC000926588514 645303341 /nfs/dbraw/zinc/30/33/41/645303341.db2.gz YMJUNDIELDRNGS-OPRDCNLKSA-N 0 3 219.731 3.017 20 0 BGADHN Cc1noc(C)c1[C@H](C)N[C@@H]1C[C@H]1C1CCC1 ZINC000926614720 645317043 /nfs/dbraw/zinc/31/70/43/645317043.db2.gz KEXSBHPMFFHGEE-AQUOVQTQSA-N 0 3 234.343 3.131 20 0 BGADHN Cc1noc(C)c1[C@@H](C)N[C@@H]1C[C@H]1C1CCC1 ZINC000926614721 645316250 /nfs/dbraw/zinc/31/62/50/645316250.db2.gz KEXSBHPMFFHGEE-OXHMUOHRSA-N 0 3 234.343 3.131 20 0 BGADHN Clc1ccnc2c1CCC[C@H]2N[C@H]1CC12CC2 ZINC000926617269 645318628 /nfs/dbraw/zinc/31/86/28/645318628.db2.gz WXBDIDBWOQCEQP-NEPJUHHUSA-N 0 3 248.757 3.255 20 0 BGADHN Clc1ccnc2c1CCC[C@@H]2N[C@@H]1CC12CC2 ZINC000926617271 645317996 /nfs/dbraw/zinc/31/79/96/645317996.db2.gz WXBDIDBWOQCEQP-NWDGAFQWSA-N 0 3 248.757 3.255 20 0 BGADHN Clc1ccnc2c1CCC[C@@H]2N[C@H]1CC12CC2 ZINC000926617273 645318932 /nfs/dbraw/zinc/31/89/32/645318932.db2.gz WXBDIDBWOQCEQP-RYUDHWBXSA-N 0 3 248.757 3.255 20 0 BGADHN Clc1ccnc2c1CCC[C@H]2N[C@@H]1CC12CC2 ZINC000926617275 645318241 /nfs/dbraw/zinc/31/82/41/645318241.db2.gz WXBDIDBWOQCEQP-VXGBXAGGSA-N 0 3 248.757 3.255 20 0 BGADHN C[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1cc([O-])cc(F)c1 ZINC000926637967 645328175 /nfs/dbraw/zinc/32/81/75/645328175.db2.gz GILNQUILSUUEOW-NBLIUIFLSA-N 0 3 249.329 3.371 20 0 BGADHN Cc1nc2c(o1)CCC[C@@H]2N[C@@H]1CCC[C@H]2C[C@H]21 ZINC000926639998 645327652 /nfs/dbraw/zinc/32/76/52/645327652.db2.gz UFKVLQACVYFGNS-LOWDOPEQSA-N 0 3 246.354 3.139 20 0 BGADHN Cc1nc2c(o1)CCC[C@@H]2N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000926640977 645329806 /nfs/dbraw/zinc/32/98/06/645329806.db2.gz ANSRZJDHJMOPSI-LPWJVIDDSA-N 0 3 246.354 3.139 20 0 BGADHN Cc1nc2c(o1)CCC[C@@H]2N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000926640978 645329463 /nfs/dbraw/zinc/32/94/63/645329463.db2.gz ANSRZJDHJMOPSI-RVMXOQNASA-N 0 3 246.354 3.139 20 0 BGADHN Cc1nc2c(o1)CCC[C@H]2NC1(C2CCC2)CC1 ZINC000926649367 645334685 /nfs/dbraw/zinc/33/46/85/645334685.db2.gz ONBJBKNDLYCHSR-GFCCVEGCSA-N 0 3 246.354 3.283 20 0 BGADHN Cc1nc2c(o1)CCC[C@@H]2NC1(C2CCC2)CC1 ZINC000926649368 645334161 /nfs/dbraw/zinc/33/41/61/645334161.db2.gz ONBJBKNDLYCHSR-LBPRGKRZSA-N 0 3 246.354 3.283 20 0 BGADHN Cc1nc2c(o1)CCC[C@@H]2N[C@H](C)C(C)(C)C ZINC000926657595 645339250 /nfs/dbraw/zinc/33/92/50/645339250.db2.gz JYACFHQVDCBHFO-KOLCDFICSA-N 0 3 236.359 3.385 20 0 BGADHN Cc1nc2c(o1)CCC[C@H]2N[C@H](C)C(C)(C)C ZINC000926657597 645340701 /nfs/dbraw/zinc/34/07/01/645340701.db2.gz JYACFHQVDCBHFO-MWLCHTKSSA-N 0 3 236.359 3.385 20 0 BGADHN CC[C@H](C)CCN[C@@H]1CCCc2oc(C)nc21 ZINC000926682671 645355082 /nfs/dbraw/zinc/35/50/82/645355082.db2.gz DBWSCBAWARRZAG-CMPLNLGQSA-N 0 3 236.359 3.386 20 0 BGADHN CC[C@H](C)CCN[C@H]1CCCc2oc(C)nc21 ZINC000926682672 645354541 /nfs/dbraw/zinc/35/45/41/645354541.db2.gz DBWSCBAWARRZAG-JQWIXIFHSA-N 0 3 236.359 3.386 20 0 BGADHN CC[C@@H](C)CCN[C@H]1CCCc2oc(C)nc21 ZINC000926682673 645355256 /nfs/dbraw/zinc/35/52/56/645355256.db2.gz DBWSCBAWARRZAG-PWSUYJOCSA-N 0 3 236.359 3.386 20 0 BGADHN CC[C@@H](C)CCN[C@@H]1CCCc2oc(C)nc21 ZINC000926682674 645355728 /nfs/dbraw/zinc/35/57/28/645355728.db2.gz DBWSCBAWARRZAG-ZYHUDNBSSA-N 0 3 236.359 3.386 20 0 BGADHN CCC(C)(C)[C@@H](C)N[C@H](C)c1cc(OC)no1 ZINC000926687558 645356989 /nfs/dbraw/zinc/35/69/89/645356989.db2.gz WKVWNAPLLFLFCO-NXEZZACHSA-N 0 3 240.347 3.159 20 0 BGADHN CCC(C)(C)[C@H](C)N[C@@H](C)c1cc(OC)no1 ZINC000926687559 645357909 /nfs/dbraw/zinc/35/79/09/645357909.db2.gz WKVWNAPLLFLFCO-UWVGGRQHSA-N 0 3 240.347 3.159 20 0 BGADHN CCC(C)(C)[C@@H](C)N[C@@H](C)c1cc(OC)no1 ZINC000926687560 645357067 /nfs/dbraw/zinc/35/70/67/645357067.db2.gz WKVWNAPLLFLFCO-VHSXEESVSA-N 0 3 240.347 3.159 20 0 BGADHN CCC(C)(C)[C@H](C)N[C@H](C)c1cc(OC)no1 ZINC000926687561 645358044 /nfs/dbraw/zinc/35/80/44/645358044.db2.gz WKVWNAPLLFLFCO-ZJUUUORDSA-N 0 3 240.347 3.159 20 0 BGADHN C1=C[C@H](N[C@@H](c2ccccn2)C2CCC2)CC1 ZINC000926688920 645358501 /nfs/dbraw/zinc/35/85/01/645358501.db2.gz HUDWELHJYKZDJG-DZGCQCFKSA-N 0 3 228.339 3.231 20 0 BGADHN C1=C[C@@H](N[C@H](c2ccccn2)C2CCC2)CC1 ZINC000926688921 645357720 /nfs/dbraw/zinc/35/77/20/645357720.db2.gz HUDWELHJYKZDJG-HIFRSBDPSA-N 0 3 228.339 3.231 20 0 BGADHN C1=C[C@@H](N[C@@H](c2ccccn2)C2CCC2)CC1 ZINC000926688922 645357094 /nfs/dbraw/zinc/35/70/94/645357094.db2.gz HUDWELHJYKZDJG-UKRRQHHQSA-N 0 3 228.339 3.231 20 0 BGADHN C1=C[C@H](N[C@H](c2ccccn2)C2CCC2)CC1 ZINC000926688923 645357801 /nfs/dbraw/zinc/35/78/01/645357801.db2.gz HUDWELHJYKZDJG-ZFWWWQNUSA-N 0 3 228.339 3.231 20 0 BGADHN Clc1ccnc2c1CC[C@H]2N[C@@H]1C=CCC1 ZINC000926689709 632826061 /nfs/dbraw/zinc/82/60/61/632826061.db2.gz LKBREYOZQTWVRI-BXKDBHETSA-N 0 3 234.730 3.031 20 0 BGADHN Clc1ccnc2c1CC[C@@H]2N[C@H]1C=CCC1 ZINC000926689711 632825639 /nfs/dbraw/zinc/82/56/39/632825639.db2.gz LKBREYOZQTWVRI-CABZTGNLSA-N 0 3 234.730 3.031 20 0 BGADHN Clc1ccnc2c1CC[C@H]2N[C@H]1C=CCC1 ZINC000926689712 632825216 /nfs/dbraw/zinc/82/52/16/632825216.db2.gz LKBREYOZQTWVRI-JOYOIKCWSA-N 0 3 234.730 3.031 20 0 BGADHN Clc1ccnc2c1CC[C@@H]2N[C@@H]1C=CCC1 ZINC000926689713 632825700 /nfs/dbraw/zinc/82/57/00/632825700.db2.gz LKBREYOZQTWVRI-SKDRFNHKSA-N 0 3 234.730 3.031 20 0 BGADHN C[C@H](N[C@@H]1C=CCC1)c1ccnn1CC1CCC1 ZINC000926690180 645360668 /nfs/dbraw/zinc/36/06/68/645360668.db2.gz NUHHUWYUDYGVRK-GXTWGEPZSA-N 0 3 245.370 3.052 20 0 BGADHN C[C@H](N[C@H]1C=CCC1)c1ccnn1CC1CCC1 ZINC000926690181 645359232 /nfs/dbraw/zinc/35/92/32/645359232.db2.gz NUHHUWYUDYGVRK-JSGCOSHPSA-N 0 3 245.370 3.052 20 0 BGADHN C[C@@H](N[C@H]1C=CCC1)c1ccnn1CC1CCC1 ZINC000926690182 645359691 /nfs/dbraw/zinc/35/96/91/645359691.db2.gz NUHHUWYUDYGVRK-OCCSQVGLSA-N 0 3 245.370 3.052 20 0 BGADHN C[C@@H](N[C@@H]1C=CCC1)c1ccnn1CC1CCC1 ZINC000926690183 645361221 /nfs/dbraw/zinc/36/12/21/645361221.db2.gz NUHHUWYUDYGVRK-TZMCWYRMSA-N 0 3 245.370 3.052 20 0 BGADHN Clc1ccnc2c1CCC[C@@H]2N[C@H]1C=CCC1 ZINC000926692395 645363070 /nfs/dbraw/zinc/36/30/70/645363070.db2.gz WVLULDBJKJXLNE-GWCFXTLKSA-N 0 3 248.757 3.421 20 0 BGADHN Clc1ccnc2c1CCC[C@H]2N[C@H]1C=CCC1 ZINC000926692396 645363640 /nfs/dbraw/zinc/36/36/40/645363640.db2.gz WVLULDBJKJXLNE-GXFFZTMASA-N 0 3 248.757 3.421 20 0 BGADHN Clc1ccnc2c1CCC[C@@H]2N[C@@H]1C=CCC1 ZINC000926692397 645362715 /nfs/dbraw/zinc/36/27/15/645362715.db2.gz WVLULDBJKJXLNE-MFKMUULPSA-N 0 3 248.757 3.421 20 0 BGADHN Clc1ccnc2c1CCC[C@H]2N[C@@H]1C=CCC1 ZINC000926692398 645363103 /nfs/dbraw/zinc/36/31/03/645363103.db2.gz WVLULDBJKJXLNE-ZWNOBZJWSA-N 0 3 248.757 3.421 20 0 BGADHN C[C@@H](N[C@H]1C[C@H]2C=C[C@@H]1CC2)c1cscn1 ZINC000926692586 645361645 /nfs/dbraw/zinc/36/16/45/645361645.db2.gz ORQFFTZYZDXEPT-KXNHARMFSA-N 0 3 234.368 3.148 20 0 BGADHN C[C@H](N[C@@H]1C[C@H]2C=C[C@@H]1CC2)c1cscn1 ZINC000926692587 645363362 /nfs/dbraw/zinc/36/33/62/645363362.db2.gz ORQFFTZYZDXEPT-NNYUYHANSA-N 0 3 234.368 3.148 20 0 BGADHN C[C@@H](N[C@@H]1C[C@H]2C=C[C@@H]1CC2)c1cscn1 ZINC000926692891 645363469 /nfs/dbraw/zinc/36/34/69/645363469.db2.gz ORQFFTZYZDXEPT-WRWGMCAJSA-N 0 3 234.368 3.148 20 0 BGADHN C[C@H](N[C@H]1C[C@H]2C=C[C@@H]1CC2)c1cscn1 ZINC000926692893 645362171 /nfs/dbraw/zinc/36/21/71/645362171.db2.gz ORQFFTZYZDXEPT-YFKTTZPYSA-N 0 3 234.368 3.148 20 0 BGADHN C[C@@H]([NH2+]CCC(C)(C)F)c1cc([O-])cc(F)c1 ZINC000926699388 645366144 /nfs/dbraw/zinc/36/61/44/645366144.db2.gz VFIOEMLVTOCRKT-SECBINFHSA-N 0 3 243.297 3.320 20 0 BGADHN C[C@H]([NH2+]CCC(C)(C)F)c1cc([O-])cc(F)c1 ZINC000926699389 645364966 /nfs/dbraw/zinc/36/49/66/645364966.db2.gz VFIOEMLVTOCRKT-VIFPVBQESA-N 0 3 243.297 3.320 20 0 BGADHN C[C@H]([NH2+]CCc1ccoc1)c1cc([O-])cc(F)c1 ZINC000926701481 645368196 /nfs/dbraw/zinc/36/81/96/645368196.db2.gz LQQLMLQAYLFEDL-JTQLQIEISA-N 0 3 249.285 3.018 20 0 BGADHN C[C@@H]([NH2+]CCc1ccoc1)c1cc([O-])cc(F)c1 ZINC000926701484 632838724 /nfs/dbraw/zinc/83/87/24/632838724.db2.gz LQQLMLQAYLFEDL-SNVBAGLBSA-N 0 3 249.285 3.018 20 0 BGADHN CC[C@@H]([NH2+][C@@H](C)c1cc([O-])cc(F)c1)C1CC1 ZINC000926706372 645371912 /nfs/dbraw/zinc/37/19/12/645371912.db2.gz GINVPICLYPNWDL-LKFCYVNXSA-N 0 3 237.318 3.371 20 0 BGADHN CC[C@H]([NH2+][C@H](C)c1cc([O-])cc(F)c1)C1CC1 ZINC000926706374 645373045 /nfs/dbraw/zinc/37/30/45/645373045.db2.gz GINVPICLYPNWDL-OTYXRUKQSA-N 0 3 237.318 3.371 20 0 BGADHN CC[C@H]([NH2+][C@@H](C)c1cc([O-])cc(F)c1)C1CC1 ZINC000926706376 645371941 /nfs/dbraw/zinc/37/19/41/645371941.db2.gz GINVPICLYPNWDL-XPTSAGLGSA-N 0 3 237.318 3.371 20 0 BGADHN CC[C@@H]([NH2+][C@H](C)c1cc([O-])cc(F)c1)C1CC1 ZINC000926706377 645373734 /nfs/dbraw/zinc/37/37/34/645373734.db2.gz GINVPICLYPNWDL-YMTOWFKASA-N 0 3 237.318 3.371 20 0 BGADHN CC[C@@H](N[C@H]1CCCc2oc(C)nc21)C1CC1 ZINC000926707831 645372769 /nfs/dbraw/zinc/37/27/69/645372769.db2.gz UIBNCYMWTPZXQF-NEPJUHHUSA-N 0 3 234.343 3.139 20 0 BGADHN CC[C@H](N[C@@H]1CCCc2oc(C)nc21)C1CC1 ZINC000926707832 645373206 /nfs/dbraw/zinc/37/32/06/645373206.db2.gz UIBNCYMWTPZXQF-NWDGAFQWSA-N 0 3 234.343 3.139 20 0 BGADHN CC[C@H](N[C@H]1CCCc2oc(C)nc21)C1CC1 ZINC000926707833 645372611 /nfs/dbraw/zinc/37/26/11/645372611.db2.gz UIBNCYMWTPZXQF-RYUDHWBXSA-N 0 3 234.343 3.139 20 0 BGADHN CC[C@@H](N[C@@H]1CCCc2oc(C)nc21)C1CC1 ZINC000926707834 645371967 /nfs/dbraw/zinc/37/19/67/645371967.db2.gz UIBNCYMWTPZXQF-VXGBXAGGSA-N 0 3 234.343 3.139 20 0 BGADHN CC[C@@H](NCC1=CCCC1)c1cccc(OC)n1 ZINC000926716289 645377820 /nfs/dbraw/zinc/37/78/20/645377820.db2.gz FBAGYUQMUFLGDE-CYBMUJFWSA-N 0 3 246.354 3.241 20 0 BGADHN CC[C@H](NCC1=CCCC1)c1cccc(OC)n1 ZINC000926716291 645379228 /nfs/dbraw/zinc/37/92/28/645379228.db2.gz FBAGYUQMUFLGDE-ZDUSSCGKSA-N 0 3 246.354 3.241 20 0 BGADHN C[C@@H](NCC1=CCCC1)c1cnn(C2CCC2)c1 ZINC000926716660 632865761 /nfs/dbraw/zinc/86/57/61/632865761.db2.gz IHYHLRSYYYDBCA-GFCCVEGCSA-N 0 3 245.370 3.369 20 0 BGADHN C[C@H](NCC1=CCCC1)c1cnn(C2CCC2)c1 ZINC000926716661 632866421 /nfs/dbraw/zinc/86/64/21/632866421.db2.gz IHYHLRSYYYDBCA-LBPRGKRZSA-N 0 3 245.370 3.369 20 0 BGADHN C[C@H]([NH2+]CC1=CCCC1)c1cc([O-])cc(F)c1 ZINC000926717256 645380467 /nfs/dbraw/zinc/38/04/67/645380467.db2.gz MLAWCMKIEOYHIH-JTQLQIEISA-N 0 3 235.302 3.292 20 0 BGADHN C[C@@H]([NH2+]CC1=CCCC1)c1cc([O-])cc(F)c1 ZINC000926717257 645382179 /nfs/dbraw/zinc/38/21/79/645382179.db2.gz MLAWCMKIEOYHIH-SNVBAGLBSA-N 0 3 235.302 3.292 20 0 BGADHN C[C@@H](NCC1=CCCC1)c1ccnn1C1CCC1 ZINC000926717385 645381576 /nfs/dbraw/zinc/38/15/76/645381576.db2.gz QWPBGDZKLVDOLZ-GFCCVEGCSA-N 0 3 245.370 3.369 20 0 BGADHN C[C@H](NCC1=CCCC1)c1ccnn1C1CCC1 ZINC000926717386 645382259 /nfs/dbraw/zinc/38/22/59/645382259.db2.gz QWPBGDZKLVDOLZ-LBPRGKRZSA-N 0 3 245.370 3.369 20 0 BGADHN C[C@@H](NC[C@H]1C(C)(C)C1(F)F)c1ccns1 ZINC000926717603 645382015 /nfs/dbraw/zinc/38/20/15/645382015.db2.gz HQQNOERZQYFTAX-APPZFPTMSA-N 0 3 246.326 3.085 20 0 BGADHN C[C@H](NC[C@H]1C(C)(C)C1(F)F)c1ccns1 ZINC000926717604 645381983 /nfs/dbraw/zinc/38/19/83/645381983.db2.gz HQQNOERZQYFTAX-CBAPKCEASA-N 0 3 246.326 3.085 20 0 BGADHN C[C@H](NC[C@@H]1C(C)(C)C1(F)F)c1ccns1 ZINC000926717606 645380247 /nfs/dbraw/zinc/38/02/47/645380247.db2.gz HQQNOERZQYFTAX-IONNQARKSA-N 0 3 246.326 3.085 20 0 BGADHN C[C@@H](NC[C@@H]1C(C)(C)C1(F)F)c1ccns1 ZINC000926717607 645381173 /nfs/dbraw/zinc/38/11/73/645381173.db2.gz HQQNOERZQYFTAX-VXNVDRBHSA-N 0 3 246.326 3.085 20 0 BGADHN Clc1ccnc2c1CC[C@H]2NCC1=CCCC1 ZINC000926717700 645381185 /nfs/dbraw/zinc/38/11/85/645381185.db2.gz VDMMSKLKHAZYHM-CYBMUJFWSA-N 0 3 248.757 3.422 20 0 BGADHN Clc1ccnc2c1CC[C@@H]2NCC1=CCCC1 ZINC000926717701 645380227 /nfs/dbraw/zinc/38/02/27/645380227.db2.gz VDMMSKLKHAZYHM-ZDUSSCGKSA-N 0 3 248.757 3.422 20 0 BGADHN C[C@@H](N[C@@]1(C)CC1(C)C)c1cn2c(n1)CCCC2 ZINC000926722087 632875639 /nfs/dbraw/zinc/87/56/39/632875639.db2.gz RCSJCJJVNWDGJW-ABAIWWIYSA-N 0 3 247.386 3.059 20 0 BGADHN C[C@@H](N[C@]1(C)CC1(C)C)c1cn2c(n1)CCCC2 ZINC000926722089 632875796 /nfs/dbraw/zinc/87/57/96/632875796.db2.gz RCSJCJJVNWDGJW-IAQYHMDHSA-N 0 3 247.386 3.059 20 0 BGADHN C[C@H](N[C@@]1(C)CC1(C)C)c1cn2c(n1)CCCC2 ZINC000926722090 632875762 /nfs/dbraw/zinc/87/57/62/632875762.db2.gz RCSJCJJVNWDGJW-NHYWBVRUSA-N 0 3 247.386 3.059 20 0 BGADHN C[C@H](N[C@]1(C)CC1(C)C)c1cn2c(n1)CCCC2 ZINC000926722091 632876733 /nfs/dbraw/zinc/87/67/33/632876733.db2.gz RCSJCJJVNWDGJW-XHDPSFHLSA-N 0 3 247.386 3.059 20 0 BGADHN C[C@@H](NC1CC(C)(C)C1)c1cn2c(n1)CCCC2 ZINC000926734884 645395147 /nfs/dbraw/zinc/39/51/47/645395147.db2.gz UFORGLGWLWSBRJ-LLVKDONJSA-N 0 3 247.386 3.059 20 0 BGADHN C[C@H](NC1CC(C)(C)C1)c1cn2c(n1)CCCC2 ZINC000926734889 645395700 /nfs/dbraw/zinc/39/57/00/645395700.db2.gz UFORGLGWLWSBRJ-NSHDSACASA-N 0 3 247.386 3.059 20 0 BGADHN C[C@H]([NH2+]CC1CC=CC1)c1cc([O-])cc(F)c1 ZINC000926745130 645400759 /nfs/dbraw/zinc/40/07/59/645400759.db2.gz RGEQCESIDWPOMJ-JTQLQIEISA-N 0 3 235.302 3.148 20 0 BGADHN C[C@@H]([NH2+]CC1CC=CC1)c1cc([O-])cc(F)c1 ZINC000926745132 645399748 /nfs/dbraw/zinc/39/97/48/645399748.db2.gz RGEQCESIDWPOMJ-SNVBAGLBSA-N 0 3 235.302 3.148 20 0 BGADHN C/C=C\CN[C@H]1CCCc2c(Cl)ccnc21 ZINC000926764116 645411531 /nfs/dbraw/zinc/41/15/31/645411531.db2.gz ACMFTFQZSPMNCN-DLGQBQFBSA-N 0 3 236.746 3.278 20 0 BGADHN C/C=C/CN[C@H]1CCCc2c(Cl)ccnc21 ZINC000926764118 645410461 /nfs/dbraw/zinc/41/04/61/645410461.db2.gz ACMFTFQZSPMNCN-JDGPPOGSSA-N 0 3 236.746 3.278 20 0 BGADHN C/C=C/CN[C@@H]1CCCc2c(Cl)ccnc21 ZINC000926764120 645410519 /nfs/dbraw/zinc/41/05/19/645410519.db2.gz ACMFTFQZSPMNCN-QAVQXKDTSA-N 0 3 236.746 3.278 20 0 BGADHN C/C=C\CN[C@@H]1CCCc2c(Cl)ccnc21 ZINC000926764123 645411306 /nfs/dbraw/zinc/41/13/06/645411306.db2.gz ACMFTFQZSPMNCN-ZZKXABKFSA-N 0 3 236.746 3.278 20 0 BGADHN Cc1nc2c(o1)CCC[C@@H]2N[C@H]1CCCC12CC2 ZINC000926777796 645426015 /nfs/dbraw/zinc/42/60/15/645426015.db2.gz LEUDGLFETPECSB-AAEUAGOBSA-N 0 3 246.354 3.283 20 0 BGADHN Cc1nc2c(o1)CCC[C@H]2N[C@@H]1CCCC12CC2 ZINC000926777797 645424854 /nfs/dbraw/zinc/42/48/54/645424854.db2.gz LEUDGLFETPECSB-DGCLKSJQSA-N 0 3 246.354 3.283 20 0 BGADHN Cc1nc2c(o1)CCC[C@@H]2N[C@@H]1CCCC12CC2 ZINC000926777798 645425408 /nfs/dbraw/zinc/42/54/08/645425408.db2.gz LEUDGLFETPECSB-WCQYABFASA-N 0 3 246.354 3.283 20 0 BGADHN Cc1nc2c(o1)CCC[C@H]2N[C@H]1CCCC12CC2 ZINC000926777799 645424527 /nfs/dbraw/zinc/42/45/27/645424527.db2.gz LEUDGLFETPECSB-YPMHNXCESA-N 0 3 246.354 3.283 20 0 BGADHN CCC(C)(C)CCN[C@@H](C)c1cc(OC)no1 ZINC000926781991 645428489 /nfs/dbraw/zinc/42/84/89/645428489.db2.gz XUPOBYUVYZUDDA-JTQLQIEISA-N 0 3 240.347 3.160 20 0 BGADHN CCC(C)(C)CCN[C@H](C)c1cc(OC)no1 ZINC000926781992 645428996 /nfs/dbraw/zinc/42/89/96/645428996.db2.gz XUPOBYUVYZUDDA-SNVBAGLBSA-N 0 3 240.347 3.160 20 0 BGADHN Cc1ncc([C@@H](C)N[C@H](C)C2(Cl)CC2)s1 ZINC000926786995 633067700 /nfs/dbraw/zinc/06/77/00/633067700.db2.gz QZFCTIQNJFFLTJ-HTQZYQBOSA-N 0 3 244.791 3.262 20 0 BGADHN Cc1ncc([C@H](C)N[C@H](C)C2(Cl)CC2)s1 ZINC000926786996 633067309 /nfs/dbraw/zinc/06/73/09/633067309.db2.gz QZFCTIQNJFFLTJ-JGVFFNPUSA-N 0 3 244.791 3.262 20 0 BGADHN Cc1ncc([C@@H](C)N[C@@H](C)C2(Cl)CC2)s1 ZINC000926786997 633068420 /nfs/dbraw/zinc/06/84/20/633068420.db2.gz QZFCTIQNJFFLTJ-SFYZADRCSA-N 0 3 244.791 3.262 20 0 BGADHN Cc1ncc([C@H](C)N[C@@H](C)C2(Cl)CC2)s1 ZINC000926786998 633067990 /nfs/dbraw/zinc/06/79/90/633067990.db2.gz QZFCTIQNJFFLTJ-YUMQZZPRSA-N 0 3 244.791 3.262 20 0 BGADHN C[C@@H](N[C@@H]1CCCC[C@@H]1F)C1(Cl)CC1 ZINC000926787556 645411589 /nfs/dbraw/zinc/41/15/89/645411589.db2.gz YMJUNDIELDRNGS-KXUCPTDWSA-N 0 3 219.731 3.017 20 0 BGADHN C[C@H](N[C@@H]1CCCC[C@@H]1F)C1(Cl)CC1 ZINC000926787557 645412481 /nfs/dbraw/zinc/41/24/81/645412481.db2.gz YMJUNDIELDRNGS-LPEHRKFASA-N 0 3 219.731 3.017 20 0 BGADHN Cc1ccc(CN[C@H]2CCOC23CCCCC3)o1 ZINC000926789138 645433038 /nfs/dbraw/zinc/43/30/38/645433038.db2.gz QAZTWJFRQXAXTD-AWEZNQCLSA-N 0 3 249.354 3.169 20 0 BGADHN Cc1ccc(CN[C@@H]2CCOC23CCCCC3)o1 ZINC000926789139 645433679 /nfs/dbraw/zinc/43/36/79/645433679.db2.gz QAZTWJFRQXAXTD-CQSZACIVSA-N 0 3 249.354 3.169 20 0 BGADHN Cc1nccnc1[C@@H](C)NC1CC2(C1)CCCC2 ZINC000926837440 645450123 /nfs/dbraw/zinc/45/01/23/645450123.db2.gz MUBQTCFARIJIJZ-GFCCVEGCSA-N 0 3 245.370 3.158 20 0 BGADHN Cc1nccnc1[C@H](C)NC1CC2(C1)CCCC2 ZINC000926837441 645448718 /nfs/dbraw/zinc/44/87/18/645448718.db2.gz MUBQTCFARIJIJZ-LBPRGKRZSA-N 0 3 245.370 3.158 20 0 BGADHN C[C@@H]([NH2+]C[C@@H]1C=CCC1)c1cc([O-])cc(F)c1 ZINC000926839211 633201725 /nfs/dbraw/zinc/20/17/25/633201725.db2.gz YCWAJZPAHFFYTI-GHMZBOCLSA-N 0 3 235.302 3.148 20 0 BGADHN C[C@@H]([NH2+]C[C@H]1C=CCC1)c1cc([O-])cc(F)c1 ZINC000926839212 633201382 /nfs/dbraw/zinc/20/13/82/633201382.db2.gz YCWAJZPAHFFYTI-MNOVXSKESA-N 0 3 235.302 3.148 20 0 BGADHN C[C@H]([NH2+]C[C@H]1C=CCC1)c1cc([O-])cc(F)c1 ZINC000926839213 633200866 /nfs/dbraw/zinc/20/08/66/633200866.db2.gz YCWAJZPAHFFYTI-QWRGUYRKSA-N 0 3 235.302 3.148 20 0 BGADHN C[C@H]([NH2+]C[C@@H]1C=CCC1)c1cc([O-])cc(F)c1 ZINC000926839214 633200526 /nfs/dbraw/zinc/20/05/26/633200526.db2.gz YCWAJZPAHFFYTI-WDEREUQCSA-N 0 3 235.302 3.148 20 0 BGADHN Cc1nc2c(o1)CCC[C@H]2NC[C@]1(C)CC1(C)C ZINC000926841320 633211934 /nfs/dbraw/zinc/21/19/34/633211934.db2.gz JBEJPOHHYVTZRQ-ABAIWWIYSA-N 0 3 248.370 3.386 20 0 BGADHN Cc1nc2c(o1)CCC[C@H]2NC[C@@]1(C)CC1(C)C ZINC000926841321 633211036 /nfs/dbraw/zinc/21/10/36/633211036.db2.gz JBEJPOHHYVTZRQ-IAQYHMDHSA-N 0 3 248.370 3.386 20 0 BGADHN Cc1nc2c(o1)CCC[C@@H]2NC[C@]1(C)CC1(C)C ZINC000926841322 633210644 /nfs/dbraw/zinc/21/06/44/633210644.db2.gz JBEJPOHHYVTZRQ-NHYWBVRUSA-N 0 3 248.370 3.386 20 0 BGADHN Cc1nc2c(o1)CCC[C@@H]2NC[C@@]1(C)CC1(C)C ZINC000926841323 633211515 /nfs/dbraw/zinc/21/15/15/633211515.db2.gz JBEJPOHHYVTZRQ-XHDPSFHLSA-N 0 3 248.370 3.386 20 0 BGADHN CCC[C@@H](C)CCN[C@H](C)c1cc(OC)no1 ZINC000926843957 633221281 /nfs/dbraw/zinc/22/12/81/633221281.db2.gz YPBMXLXZVUAUEJ-GHMZBOCLSA-N 0 3 240.347 3.160 20 0 BGADHN CCC[C@@H](C)CCN[C@@H](C)c1cc(OC)no1 ZINC000926843959 633221896 /nfs/dbraw/zinc/22/18/96/633221896.db2.gz YPBMXLXZVUAUEJ-MNOVXSKESA-N 0 3 240.347 3.160 20 0 BGADHN CCC[C@H](C)CCN[C@@H](C)c1cc(OC)no1 ZINC000926843964 633221056 /nfs/dbraw/zinc/22/10/56/633221056.db2.gz YPBMXLXZVUAUEJ-QWRGUYRKSA-N 0 3 240.347 3.160 20 0 BGADHN CCC[C@H](C)CCN[C@H](C)c1cc(OC)no1 ZINC000926843967 633221233 /nfs/dbraw/zinc/22/12/33/633221233.db2.gz YPBMXLXZVUAUEJ-WDEREUQCSA-N 0 3 240.347 3.160 20 0 BGADHN C=C/C=C\CC[NH2+][C@H](C)c1cc([O-])cc(F)c1 ZINC000926845019 645454587 /nfs/dbraw/zinc/45/45/87/645454587.db2.gz OSUXTQQMTLANQX-DOGVGXBMSA-N 0 3 235.302 3.314 20 0 BGADHN C=C/C=C/CC[NH2+][C@H](C)c1cc([O-])cc(F)c1 ZINC000926845020 645455711 /nfs/dbraw/zinc/45/57/11/645455711.db2.gz OSUXTQQMTLANQX-SGUJLRQBSA-N 0 3 235.302 3.314 20 0 BGADHN C=C/C=C\CC[NH2+][C@@H](C)c1cc([O-])cc(F)c1 ZINC000926845021 645454477 /nfs/dbraw/zinc/45/44/77/645454477.db2.gz OSUXTQQMTLANQX-WYGGZMRJSA-N 0 3 235.302 3.314 20 0 BGADHN C=C/C=C/CC[NH2+][C@@H](C)c1cc([O-])cc(F)c1 ZINC000926845022 645453782 /nfs/dbraw/zinc/45/37/82/645453782.db2.gz OSUXTQQMTLANQX-ZWNMCFTASA-N 0 3 235.302 3.314 20 0 BGADHN C=C/C=C\CCN[C@H](C)c1cn2c(n1)CCCC2 ZINC000926846712 645454764 /nfs/dbraw/zinc/45/47/64/645454764.db2.gz WZZJWIYVTPAGKQ-DSYXLKISSA-N 0 3 245.370 3.002 20 0 BGADHN C=C/C=C/CCN[C@@H](C)c1cn2c(n1)CCCC2 ZINC000926846714 645455846 /nfs/dbraw/zinc/45/58/46/645455846.db2.gz WZZJWIYVTPAGKQ-IHVVCDCBSA-N 0 3 245.370 3.002 20 0 BGADHN C=C/C=C/CCN[C@H](C)c1cn2c(n1)CCCC2 ZINC000926846715 645454379 /nfs/dbraw/zinc/45/43/79/645454379.db2.gz WZZJWIYVTPAGKQ-MUBLQREKSA-N 0 3 245.370 3.002 20 0 BGADHN C=C/C=C\CCN[C@@H](C)c1cn2c(n1)CCCC2 ZINC000926846716 645453710 /nfs/dbraw/zinc/45/37/10/645453710.db2.gz WZZJWIYVTPAGKQ-ZFDPJTLLSA-N 0 3 245.370 3.002 20 0 BGADHN C=C/C=C/CCN[C@H]1CCCc2oc(C)nc21 ZINC000926847173 645454135 /nfs/dbraw/zinc/45/41/35/645454135.db2.gz YWPPHPCHDGZKCW-ITKZLYELSA-N 0 3 232.327 3.082 20 0 BGADHN C=C/C=C\CCN[C@@H]1CCCc2oc(C)nc21 ZINC000926847174 645453669 /nfs/dbraw/zinc/45/36/69/645453669.db2.gz YWPPHPCHDGZKCW-QMAVJUDZSA-N 0 3 232.327 3.082 20 0 BGADHN C=C/C=C\CCN[C@H]1CCCc2oc(C)nc21 ZINC000926847175 633228291 /nfs/dbraw/zinc/22/82/91/633228291.db2.gz YWPPHPCHDGZKCW-RXNFCKPNSA-N 0 3 232.327 3.082 20 0 BGADHN C=C/C=C/CCN[C@@H]1CCCc2oc(C)nc21 ZINC000926847177 633228977 /nfs/dbraw/zinc/22/89/77/633228977.db2.gz YWPPHPCHDGZKCW-ZYOFXKKJSA-N 0 3 232.327 3.082 20 0 BGADHN CSC1CC(NCc2cscc2Cl)C1 ZINC000926862942 645461497 /nfs/dbraw/zinc/46/14/97/645461497.db2.gz BUKBRYXEEYYFEY-UHFFFAOYSA-N 0 3 247.816 3.385 20 0 BGADHN c1c(CNC2CC3(C2)CCCC3)onc1C1CC1 ZINC000926869997 645466811 /nfs/dbraw/zinc/46/68/11/645466811.db2.gz ZVESECWNTRNHDB-UHFFFAOYSA-N 0 3 246.354 3.364 20 0 BGADHN Cc1nc2c(o1)CCC[C@H]2NC1(C2CC2)CCC1 ZINC000926874534 645468483 /nfs/dbraw/zinc/46/84/83/645468483.db2.gz QPKYGQBLKOFJCJ-GFCCVEGCSA-N 0 3 246.354 3.283 20 0 BGADHN Cc1nc2c(o1)CCC[C@@H]2NC1(C2CC2)CCC1 ZINC000926874536 645468855 /nfs/dbraw/zinc/46/88/55/645468855.db2.gz QPKYGQBLKOFJCJ-LBPRGKRZSA-N 0 3 246.354 3.283 20 0 BGADHN CC(C)n1cc([C@@H](C)NC2CCC=CCC2)nn1 ZINC000926875626 645468951 /nfs/dbraw/zinc/46/89/51/645468951.db2.gz ASSYMJPQFDCGCH-GFCCVEGCSA-N 0 3 248.374 3.008 20 0 BGADHN CC(C)n1cc([C@H](C)NC2CCC=CCC2)nn1 ZINC000926875627 645467990 /nfs/dbraw/zinc/46/79/90/645467990.db2.gz ASSYMJPQFDCGCH-LBPRGKRZSA-N 0 3 248.374 3.008 20 0 BGADHN Cc1nc2c(o1)CCC[C@H]2NC1CCC=CCC1 ZINC000926877833 645471632 /nfs/dbraw/zinc/47/16/32/645471632.db2.gz PTWNBYMEBMKEQH-CYBMUJFWSA-N 0 3 246.354 3.449 20 0 BGADHN Cc1nc2c(o1)CCC[C@@H]2NC1CCC=CCC1 ZINC000926877837 645471919 /nfs/dbraw/zinc/47/19/19/645471919.db2.gz PTWNBYMEBMKEQH-ZDUSSCGKSA-N 0 3 246.354 3.449 20 0 BGADHN Cc1nc2c(o1)CCC[C@H]2NCCC1CC=CC1 ZINC000926947745 636967437 /nfs/dbraw/zinc/96/74/37/636967437.db2.gz AXHRWEOYOOLMJV-CYBMUJFWSA-N 0 3 246.354 3.306 20 0 BGADHN Cc1nc2c(o1)CCC[C@@H]2NCCC1CC=CC1 ZINC000926947747 636966876 /nfs/dbraw/zinc/96/68/76/636966876.db2.gz AXHRWEOYOOLMJV-ZDUSSCGKSA-N 0 3 246.354 3.306 20 0 BGADHN C1=CCC(CCN[C@@H]2CCCc3scnc32)C1 ZINC000926951426 645499772 /nfs/dbraw/zinc/49/97/72/645499772.db2.gz ZUIQQCDICVQHTD-GFCCVEGCSA-N 0 3 248.395 3.466 20 0 BGADHN C1=CCC(CCN[C@H]2CCCc3scnc32)C1 ZINC000926951427 645498323 /nfs/dbraw/zinc/49/83/23/645498323.db2.gz ZUIQQCDICVQHTD-LBPRGKRZSA-N 0 3 248.395 3.466 20 0 BGADHN C[C@@H](NC[C@H]1CCCC2(CCC2)O1)c1ccco1 ZINC000927013288 645511477 /nfs/dbraw/zinc/51/14/77/645511477.db2.gz DOEGFYHBMWJLRB-CHWSQXEVSA-N 0 3 249.354 3.422 20 0 BGADHN C[C@@H](NC[C@@H]1CCCC2(CCC2)O1)c1ccco1 ZINC000927013289 645512506 /nfs/dbraw/zinc/51/25/06/645512506.db2.gz DOEGFYHBMWJLRB-OLZOCXBDSA-N 0 3 249.354 3.422 20 0 BGADHN C[C@H](NC[C@H]1CCCC2(CCC2)O1)c1ccco1 ZINC000927013290 645512340 /nfs/dbraw/zinc/51/23/40/645512340.db2.gz DOEGFYHBMWJLRB-QWHCGFSZSA-N 0 3 249.354 3.422 20 0 BGADHN C[C@H](NC[C@@H]1CCCC2(CCC2)O1)c1ccco1 ZINC000927013291 645511734 /nfs/dbraw/zinc/51/17/34/645511734.db2.gz DOEGFYHBMWJLRB-STQMWFEESA-N 0 3 249.354 3.422 20 0 BGADHN CCC[C@H](O)CCN[C@H](C)c1ccc(CC)o1 ZINC000927016159 645515013 /nfs/dbraw/zinc/51/50/13/645515013.db2.gz HYTYPEPIHYGBPA-NEPJUHHUSA-N 0 3 239.359 3.044 20 0 BGADHN CCC[C@@H](O)CCN[C@@H](C)c1ccc(CC)o1 ZINC000927016164 636989626 /nfs/dbraw/zinc/98/96/26/636989626.db2.gz HYTYPEPIHYGBPA-NWDGAFQWSA-N 0 3 239.359 3.044 20 0 BGADHN CCC[C@H](O)CCN[C@@H](C)c1ccc(CC)o1 ZINC000927016178 636988946 /nfs/dbraw/zinc/98/89/46/636988946.db2.gz HYTYPEPIHYGBPA-RYUDHWBXSA-N 0 3 239.359 3.044 20 0 BGADHN CCC[C@@H](O)CCN[C@H](C)c1ccc(CC)o1 ZINC000927016207 636990279 /nfs/dbraw/zinc/99/02/79/636990279.db2.gz HYTYPEPIHYGBPA-VXGBXAGGSA-N 0 3 239.359 3.044 20 0 BGADHN C[C@H](NC[C@H]1CCCC2(CCC2)O1)c1ccoc1 ZINC000927019039 645517923 /nfs/dbraw/zinc/51/79/23/645517923.db2.gz QSLDSSPJBREZBX-GXTWGEPZSA-N 0 3 249.354 3.422 20 0 BGADHN C[C@H](NC[C@@H]1CCCC2(CCC2)O1)c1ccoc1 ZINC000927019041 645517255 /nfs/dbraw/zinc/51/72/55/645517255.db2.gz QSLDSSPJBREZBX-JSGCOSHPSA-N 0 3 249.354 3.422 20 0 BGADHN C[C@@H](NC[C@@H]1CCCC2(CCC2)O1)c1ccoc1 ZINC000927019043 645517744 /nfs/dbraw/zinc/51/77/44/645517744.db2.gz QSLDSSPJBREZBX-OCCSQVGLSA-N 0 3 249.354 3.422 20 0 BGADHN C[C@@H](NC[C@H]1CCCC2(CCC2)O1)c1ccoc1 ZINC000927019045 645516539 /nfs/dbraw/zinc/51/65/39/645516539.db2.gz QSLDSSPJBREZBX-TZMCWYRMSA-N 0 3 249.354 3.422 20 0 BGADHN Cc1ccc([C@H](C)NC[C@@]2(C)CCCCO2)o1 ZINC000927019294 645517090 /nfs/dbraw/zinc/51/70/90/645517090.db2.gz DXVMXXLJXMLRKG-GXTWGEPZSA-N 0 3 237.343 3.198 20 0 BGADHN Cc1ccc([C@H](C)NC[C@]2(C)CCCCO2)o1 ZINC000927019295 645518490 /nfs/dbraw/zinc/51/84/90/645518490.db2.gz DXVMXXLJXMLRKG-JSGCOSHPSA-N 0 3 237.343 3.198 20 0 BGADHN Cc1ccc([C@@H](C)NC[C@]2(C)CCCCO2)o1 ZINC000927019296 645517909 /nfs/dbraw/zinc/51/79/09/645517909.db2.gz DXVMXXLJXMLRKG-OCCSQVGLSA-N 0 3 237.343 3.198 20 0 BGADHN Cc1ccc([C@@H](C)NC[C@@]2(C)CCCCO2)o1 ZINC000927019297 636992322 /nfs/dbraw/zinc/99/23/22/636992322.db2.gz DXVMXXLJXMLRKG-TZMCWYRMSA-N 0 3 237.343 3.198 20 0 BGADHN CCC[C@H](O)CCN[C@@H](C)c1cc(C)c(C)o1 ZINC000927019956 645517227 /nfs/dbraw/zinc/51/72/27/645517227.db2.gz VBKAUSYPMSAUEF-AAEUAGOBSA-N 0 3 239.359 3.098 20 0 BGADHN CCC[C@@H](O)CCN[C@H](C)c1cc(C)c(C)o1 ZINC000927019957 645520757 /nfs/dbraw/zinc/52/07/57/645520757.db2.gz VBKAUSYPMSAUEF-DGCLKSJQSA-N 0 3 239.359 3.098 20 0 BGADHN CCC[C@@H](O)CCN[C@@H](C)c1cc(C)c(C)o1 ZINC000927019958 645520121 /nfs/dbraw/zinc/52/01/21/645520121.db2.gz VBKAUSYPMSAUEF-WCQYABFASA-N 0 3 239.359 3.098 20 0 BGADHN CCC[C@H](O)CCN[C@H](C)c1cc(C)c(C)o1 ZINC000927019959 636991277 /nfs/dbraw/zinc/99/12/77/636991277.db2.gz VBKAUSYPMSAUEF-YPMHNXCESA-N 0 3 239.359 3.098 20 0 BGADHN C[C@@H](N[C@H]1CCS[C@H](C)C1)c1cscn1 ZINC000927033195 645530881 /nfs/dbraw/zinc/53/08/81/645530881.db2.gz RQMYUAGRBXRBFR-BBBLOLIVSA-N 0 3 242.413 3.078 20 0 BGADHN C[C@H](N[C@@H]1CCS[C@H](C)C1)c1cscn1 ZINC000927033196 645531483 /nfs/dbraw/zinc/53/14/83/645531483.db2.gz RQMYUAGRBXRBFR-KXUCPTDWSA-N 0 3 242.413 3.078 20 0 BGADHN C[C@@H](N[C@@H]1CCS[C@H](C)C1)c1cscn1 ZINC000927033197 645532853 /nfs/dbraw/zinc/53/28/53/645532853.db2.gz RQMYUAGRBXRBFR-OPRDCNLKSA-N 0 3 242.413 3.078 20 0 BGADHN C[C@H](N[C@H]1CCS[C@H](C)C1)c1cscn1 ZINC000927033198 645530899 /nfs/dbraw/zinc/53/08/99/645530899.db2.gz RQMYUAGRBXRBFR-UTLUCORTSA-N 0 3 242.413 3.078 20 0 BGADHN C[C@@H](N[C@H]1CCS[C@H](C)C1)c1nccs1 ZINC000927033461 637004536 /nfs/dbraw/zinc/00/45/36/637004536.db2.gz SUXFJYFFYZWRFP-BBBLOLIVSA-N 0 3 242.413 3.078 20 0 BGADHN C[C@H](N[C@@H]1CCS[C@H](C)C1)c1nccs1 ZINC000927033477 637005063 /nfs/dbraw/zinc/00/50/63/637005063.db2.gz SUXFJYFFYZWRFP-KXUCPTDWSA-N 0 3 242.413 3.078 20 0 BGADHN C[C@@H](N[C@@H]1CCS[C@H](C)C1)c1nccs1 ZINC000927033479 637005473 /nfs/dbraw/zinc/00/54/73/637005473.db2.gz SUXFJYFFYZWRFP-OPRDCNLKSA-N 0 3 242.413 3.078 20 0 BGADHN C[C@H](N[C@H]1CCS[C@H](C)C1)c1nccs1 ZINC000927033480 637005219 /nfs/dbraw/zinc/00/52/19/637005219.db2.gz SUXFJYFFYZWRFP-UTLUCORTSA-N 0 3 242.413 3.078 20 0 BGADHN CCC(C)(C)[C@@H](C)NCc1cc(C2CC2)n(C)n1 ZINC000927108548 645552713 /nfs/dbraw/zinc/55/27/13/645552713.db2.gz RIWNTYXYIKHJEE-LLVKDONJSA-N 0 3 249.402 3.212 20 0 BGADHN CCC(C)(C)[C@H](C)NCc1cc(C2CC2)n(C)n1 ZINC000927108549 645551033 /nfs/dbraw/zinc/55/10/33/645551033.db2.gz RIWNTYXYIKHJEE-NSHDSACASA-N 0 3 249.402 3.212 20 0 BGADHN C[C@H](CC(C)(C)C)NCc1cc(C2CC2)n(C)n1 ZINC000927108883 645551946 /nfs/dbraw/zinc/55/19/46/645551946.db2.gz VGCUEYKPOMQNTF-LLVKDONJSA-N 0 3 249.402 3.212 20 0 BGADHN C[C@@H](CC(C)(C)C)NCc1cc(C2CC2)n(C)n1 ZINC000927108885 645553590 /nfs/dbraw/zinc/55/35/90/645553590.db2.gz VGCUEYKPOMQNTF-NSHDSACASA-N 0 3 249.402 3.212 20 0 BGADHN CC(C)CC[C@@H](C)NCc1cc(C2CC2)n(C)n1 ZINC000927113437 645553792 /nfs/dbraw/zinc/55/37/92/645553792.db2.gz YTBDSFASMUYYPA-GFCCVEGCSA-N 0 3 249.402 3.212 20 0 BGADHN CC(C)CC[C@H](C)NCc1cc(C2CC2)n(C)n1 ZINC000927113438 645551511 /nfs/dbraw/zinc/55/15/11/645551511.db2.gz YTBDSFASMUYYPA-LBPRGKRZSA-N 0 3 249.402 3.212 20 0 BGADHN CCCCC[C@@H](C)NCc1cc(C2CC2)n(C)n1 ZINC000927114699 637038153 /nfs/dbraw/zinc/03/81/53/637038153.db2.gz WYKPZQARBNKJGM-GFCCVEGCSA-N 0 3 249.402 3.356 20 0 BGADHN CCCCC[C@H](C)NCc1cc(C2CC2)n(C)n1 ZINC000927114700 637038652 /nfs/dbraw/zinc/03/86/52/637038652.db2.gz WYKPZQARBNKJGM-LBPRGKRZSA-N 0 3 249.402 3.356 20 0 BGADHN Cc1nc([C@@H](C)NC[C@]23C[C@H]2CCC3)cs1 ZINC000927117521 645551977 /nfs/dbraw/zinc/55/19/77/645551977.db2.gz CTLNPJQKIJIVCC-XWIASGKRSA-N 0 3 236.384 3.292 20 0 BGADHN C[C@@H]([NH2+]C[C@]12C[C@H]1CCC2)c1cccc([O-])c1F ZINC000927121675 637039801 /nfs/dbraw/zinc/03/98/01/637039801.db2.gz NVXCSBDHFWSPBM-HFAKWTLXSA-N 0 3 249.329 3.372 20 0 BGADHN C[C@H]([NH2+]C[C@]12C[C@H]1CCC2)c1cccc([O-])c1F ZINC000927121677 637039251 /nfs/dbraw/zinc/03/92/51/637039251.db2.gz NVXCSBDHFWSPBM-RWSFTLGLSA-N 0 3 249.329 3.372 20 0 BGADHN Cc1cc([C@@H](C)NCC2CCC=CCC2)no1 ZINC000927122268 645557181 /nfs/dbraw/zinc/55/71/81/645557181.db2.gz FREDNVHUWPTXEX-GFCCVEGCSA-N 0 3 234.343 3.380 20 0 BGADHN Cc1cc([C@H](C)NCC2CCC=CCC2)no1 ZINC000927122273 645559305 /nfs/dbraw/zinc/55/93/05/645559305.db2.gz FREDNVHUWPTXEX-LBPRGKRZSA-N 0 3 234.343 3.380 20 0 BGADHN C[C@@H]([NH2+]C[C@]12C[C@H]1CCC2)c1cc([O-])cc(F)c1 ZINC000927122766 645558838 /nfs/dbraw/zinc/55/88/38/645558838.db2.gz RZPXJUYCBNRJGY-HCKVZZMMSA-N 0 3 249.329 3.372 20 0 BGADHN C[C@H]([NH2+]C[C@]12C[C@H]1CCC2)c1cc([O-])cc(F)c1 ZINC000927122767 645557110 /nfs/dbraw/zinc/55/71/10/645557110.db2.gz RZPXJUYCBNRJGY-NVBFEUDRSA-N 0 3 249.329 3.372 20 0 BGADHN Cc1csc([C@@H](C)NC[C@]23C[C@H]2CCC3)n1 ZINC000927123037 645557419 /nfs/dbraw/zinc/55/74/19/645557419.db2.gz UOHRFYLUEWBKDQ-WZRBSPASSA-N 0 3 236.384 3.292 20 0 BGADHN c1nc2c(s1)CCC[C@H]2NC[C@]12C[C@H]1CCC2 ZINC000927123105 637039002 /nfs/dbraw/zinc/03/90/02/637039002.db2.gz VWDNAYFKQHRZIO-GYSYKLTISA-N 0 3 248.395 3.300 20 0 BGADHN c1nc2c(s1)CCC[C@@H]2NC[C@]12C[C@H]1CCC2 ZINC000927123106 637039264 /nfs/dbraw/zinc/03/92/64/637039264.db2.gz VWDNAYFKQHRZIO-SUNKGSAMSA-N 0 3 248.395 3.300 20 0 BGADHN Cc1nc2c(o1)CCC[C@H]2NC[C@]12C[C@H]1CCC2 ZINC000927123116 645557224 /nfs/dbraw/zinc/55/72/24/645557224.db2.gz WEZNVLUYHQCWPV-JMSVASOKSA-N 0 3 246.354 3.140 20 0 BGADHN Cc1nc2c(o1)CCC[C@@H]2NC[C@]12C[C@H]1CCC2 ZINC000927123117 645558632 /nfs/dbraw/zinc/55/86/32/645558632.db2.gz WEZNVLUYHQCWPV-XUJVJEKNSA-N 0 3 246.354 3.140 20 0 BGADHN CCc1onc(C)c1CNC1CC(C(C)C)C1 ZINC000927133174 645563418 /nfs/dbraw/zinc/56/34/18/645563418.db2.gz ALXKQNNMVUHBGJ-UHFFFAOYSA-N 0 3 236.359 3.070 20 0 BGADHN C[C@H](NC1([C@@H]2CCCCO2)CC1)c1ccoc1 ZINC000927160284 645577621 /nfs/dbraw/zinc/57/76/21/645577621.db2.gz LAEFRPMBFOEERJ-AAEUAGOBSA-N 0 3 235.327 3.032 20 0 BGADHN C[C@@H](NC1([C@H]2CCCCO2)CC1)c1ccoc1 ZINC000927160285 645578392 /nfs/dbraw/zinc/57/83/92/645578392.db2.gz LAEFRPMBFOEERJ-DGCLKSJQSA-N 0 3 235.327 3.032 20 0 BGADHN C[C@H](NC1([C@H]2CCCCO2)CC1)c1ccoc1 ZINC000927160286 645577896 /nfs/dbraw/zinc/57/78/96/645577896.db2.gz LAEFRPMBFOEERJ-WCQYABFASA-N 0 3 235.327 3.032 20 0 BGADHN C[C@@H](NC1([C@@H]2CCCCO2)CC1)c1ccoc1 ZINC000927160287 645577210 /nfs/dbraw/zinc/57/72/10/645577210.db2.gz LAEFRPMBFOEERJ-YPMHNXCESA-N 0 3 235.327 3.032 20 0 BGADHN Cc1ccc([C@H](C)NC2([C@H]3CCCCO3)CC2)o1 ZINC000927166318 645579505 /nfs/dbraw/zinc/57/95/05/645579505.db2.gz XZSDTPDNFYXFPK-GXTWGEPZSA-N 0 3 249.354 3.340 20 0 BGADHN Cc1ccc([C@H](C)NC2([C@@H]3CCCCO3)CC2)o1 ZINC000927166319 645580757 /nfs/dbraw/zinc/58/07/57/645580757.db2.gz XZSDTPDNFYXFPK-JSGCOSHPSA-N 0 3 249.354 3.340 20 0 BGADHN Cc1ccc([C@@H](C)NC2([C@@H]3CCCCO3)CC2)o1 ZINC000927166321 645580701 /nfs/dbraw/zinc/58/07/01/645580701.db2.gz XZSDTPDNFYXFPK-OCCSQVGLSA-N 0 3 249.354 3.340 20 0 BGADHN Cc1ccc([C@@H](C)NC2([C@H]3CCCCO3)CC2)o1 ZINC000927166322 645581116 /nfs/dbraw/zinc/58/11/16/645581116.db2.gz XZSDTPDNFYXFPK-TZMCWYRMSA-N 0 3 249.354 3.340 20 0 BGADHN Cc1ccnc(-c2ccc(CN(C)C)s2)c1 ZINC000929084815 645933963 /nfs/dbraw/zinc/93/39/63/645933963.db2.gz NJMAIBFCUREUNN-UHFFFAOYSA-N 0 3 232.352 3.180 20 0 BGADHN CCc1ncc(CN(C)CC2CCCCC2)o1 ZINC000929119419 645952590 /nfs/dbraw/zinc/95/25/90/645952590.db2.gz KRXYAARPAGWUGM-UHFFFAOYSA-N 0 3 236.359 3.249 20 0 BGADHN Cc1nnsc1[C@@H](C)N1CCCCCCC1 ZINC000929129545 645960810 /nfs/dbraw/zinc/96/08/10/645960810.db2.gz ZZDLRRMJWDUJTI-LLVKDONJSA-N 0 3 239.388 3.174 20 0 BGADHN Cc1nnsc1[C@H](C)N1CCCCCCC1 ZINC000929129546 645960229 /nfs/dbraw/zinc/96/02/29/645960229.db2.gz ZZDLRRMJWDUJTI-NSHDSACASA-N 0 3 239.388 3.174 20 0 BGADHN CCN(C/C=C(/C)COC)Cc1cccs1 ZINC000929134956 645964231 /nfs/dbraw/zinc/96/42/31/645964231.db2.gz LVBLESKVUMVGOF-GHXNOFRVSA-N 0 3 239.384 3.163 20 0 BGADHN CCN(C/C=C(\C)COC)Cc1cccs1 ZINC000929134957 645963665 /nfs/dbraw/zinc/96/36/65/645963665.db2.gz LVBLESKVUMVGOF-KPKJPENVSA-N 0 3 239.384 3.163 20 0 BGADHN CN(CCc1cccc(F)c1)Cc1ccco1 ZINC000929137719 636828342 /nfs/dbraw/zinc/82/83/42/636828342.db2.gz HHWWDBXAHNYKOE-UHFFFAOYSA-N 0 3 233.286 3.093 20 0 BGADHN CN(CCCC(C)(F)F)Cc1ccco1 ZINC000929140276 645969023 /nfs/dbraw/zinc/96/90/23/645969023.db2.gz WXPABWBAFWRCLI-UHFFFAOYSA-N 0 3 217.259 3.147 20 0 BGADHN CCCCN(CCCC)Cc1nn(C)cc1C ZINC000929142404 645968917 /nfs/dbraw/zinc/96/89/17/645968917.db2.gz OVKVYKNLOMRHJT-UHFFFAOYSA-N 0 3 237.391 3.131 20 0 BGADHN CCCCN(CC)Cc1c(C)noc1CC ZINC000929142696 645970503 /nfs/dbraw/zinc/97/05/03/645970503.db2.gz GUZONWRLWDCQOH-UHFFFAOYSA-N 0 3 224.348 3.167 20 0 BGADHN Fc1ccc([C@@H]2CCCN2CCOC2CC2)cc1 ZINC000929158967 645980341 /nfs/dbraw/zinc/98/03/41/645980341.db2.gz GGCONWUYAOQZAQ-HNNXBMFYSA-N 0 3 249.329 3.142 20 0 BGADHN Fc1ccc([C@H]2CCCN2CCOC2CC2)cc1 ZINC000929158968 645979969 /nfs/dbraw/zinc/97/99/69/645979969.db2.gz GGCONWUYAOQZAQ-OAHLLOKOSA-N 0 3 249.329 3.142 20 0 BGADHN Cc1cc([C@H]2CCCN2CC2CC(C)C2)no1 ZINC000929184783 645990568 /nfs/dbraw/zinc/99/05/68/645990568.db2.gz CVCYSOGFEHRXHH-MMWSSPAHSA-N 0 3 234.343 3.166 20 0 BGADHN Cc1cc([C@@H]2CCCN2CC2CC(C)C2)no1 ZINC000929184784 645990441 /nfs/dbraw/zinc/99/04/41/645990441.db2.gz CVCYSOGFEHRXHH-OVGLSYRBSA-N 0 3 234.343 3.166 20 0 BGADHN CC[C@@H]1C[C@H]1CN1CCC[C@H]1c1cc(C)on1 ZINC000929185144 645989716 /nfs/dbraw/zinc/98/97/16/645989716.db2.gz HTVBQQFKZWGSBU-DYEKYZERSA-N 0 3 234.343 3.166 20 0 BGADHN CC[C@@H]1C[C@H]1CN1CCC[C@@H]1c1cc(C)on1 ZINC000929185145 645991358 /nfs/dbraw/zinc/99/13/58/645991358.db2.gz HTVBQQFKZWGSBU-MBNYWOFBSA-N 0 3 234.343 3.166 20 0 BGADHN CC[C@H]1CCCN([C@H](C)c2ccc(F)nc2)C1 ZINC000929199630 645998306 /nfs/dbraw/zinc/99/83/06/645998306.db2.gz BHXVYQZWRKWTOK-NEPJUHHUSA-N 0 3 236.334 3.404 20 0 BGADHN CC[C@@H]1CCCN([C@@H](C)c2ccc(F)nc2)C1 ZINC000929199631 645999876 /nfs/dbraw/zinc/99/98/76/645999876.db2.gz BHXVYQZWRKWTOK-NWDGAFQWSA-N 0 3 236.334 3.404 20 0 BGADHN CC[C@H]1CCCN([C@@H](C)c2ccc(F)nc2)C1 ZINC000929199632 645999185 /nfs/dbraw/zinc/99/91/85/645999185.db2.gz BHXVYQZWRKWTOK-RYUDHWBXSA-N 0 3 236.334 3.404 20 0 BGADHN CC[C@@H]1CCCN([C@H](C)c2ccc(F)nc2)C1 ZINC000929199633 645997947 /nfs/dbraw/zinc/99/79/47/645997947.db2.gz BHXVYQZWRKWTOK-VXGBXAGGSA-N 0 3 236.334 3.404 20 0 BGADHN CC[C@@H]1CCCN([C@H](C)c2snnc2C)C1 ZINC000929199887 646000110 /nfs/dbraw/zinc/00/01/10/646000110.db2.gz AWYUFANSJOJVRN-GHMZBOCLSA-N 0 3 239.388 3.030 20 0 BGADHN CC[C@H]1CCCN([C@H](C)c2snnc2C)C1 ZINC000929199888 646001855 /nfs/dbraw/zinc/00/18/55/646001855.db2.gz AWYUFANSJOJVRN-MNOVXSKESA-N 0 3 239.388 3.030 20 0 BGADHN CC[C@H]1CCCN([C@@H](C)c2snnc2C)C1 ZINC000929199889 646001208 /nfs/dbraw/zinc/00/12/08/646001208.db2.gz AWYUFANSJOJVRN-QWRGUYRKSA-N 0 3 239.388 3.030 20 0 BGADHN CC[C@@H]1CCCN([C@@H](C)c2snnc2C)C1 ZINC000929199890 646000960 /nfs/dbraw/zinc/00/09/60/646000960.db2.gz AWYUFANSJOJVRN-WDEREUQCSA-N 0 3 239.388 3.030 20 0 BGADHN CCN(CC)Cc1cnc(-c2ccccc2)o1 ZINC000929205773 646002749 /nfs/dbraw/zinc/00/27/49/646002749.db2.gz VJYFKYGOSDOAOJ-UHFFFAOYSA-N 0 3 230.311 3.183 20 0 BGADHN CCc1ncc(CN2CCCC[C@H]2CC)o1 ZINC000929210799 642746454 /nfs/dbraw/zinc/74/64/54/642746454.db2.gz BGOFKVLFSPAQIC-LLVKDONJSA-N 0 3 222.332 3.002 20 0 BGADHN CCc1ncc(CN2CCCC[C@@H]2CC)o1 ZINC000929210800 642746997 /nfs/dbraw/zinc/74/69/97/642746997.db2.gz BGOFKVLFSPAQIC-NSHDSACASA-N 0 3 222.332 3.002 20 0 BGADHN C[C@H](c1ccc(F)nc1)N1CCC[C@@H](C)C1 ZINC000929211422 646005608 /nfs/dbraw/zinc/00/56/08/646005608.db2.gz IYMIAQKIKDNESR-GHMZBOCLSA-N 0 3 222.307 3.014 20 0 BGADHN C[C@@H](c1ccc(F)nc1)N1CCC[C@@H](C)C1 ZINC000929211424 646006823 /nfs/dbraw/zinc/00/68/23/646006823.db2.gz IYMIAQKIKDNESR-MNOVXSKESA-N 0 3 222.307 3.014 20 0 BGADHN C[C@@H](c1ccc(F)nc1)N1CCC[C@H](C)C1 ZINC000929211425 646005105 /nfs/dbraw/zinc/00/51/05/646005105.db2.gz IYMIAQKIKDNESR-QWRGUYRKSA-N 0 3 222.307 3.014 20 0 BGADHN C[C@H](c1ccc(F)nc1)N1CCC[C@H](C)C1 ZINC000929211427 646007619 /nfs/dbraw/zinc/00/76/19/646007619.db2.gz IYMIAQKIKDNESR-WDEREUQCSA-N 0 3 222.307 3.014 20 0 BGADHN C[C@H](c1ccc(F)nc1)N1CCC(C)CC1 ZINC000929215962 646016211 /nfs/dbraw/zinc/01/62/11/646016211.db2.gz VSANDPKZRVJAOZ-LLVKDONJSA-N 0 3 222.307 3.014 20 0 BGADHN C[C@@H](c1ccc(F)nc1)N1CCC(C)CC1 ZINC000929215964 646014764 /nfs/dbraw/zinc/01/47/64/646014764.db2.gz VSANDPKZRVJAOZ-NSHDSACASA-N 0 3 222.307 3.014 20 0 BGADHN C[C@H](c1ccc(F)nc1)N1CCCCCC1 ZINC000929234656 711935494 /nfs/dbraw/zinc/93/54/94/711935494.db2.gz SUSYECKENASTMD-LLVKDONJSA-N 0 3 222.307 3.158 20 0 BGADHN C[C@@H](c1ccc(F)nc1)N1CCCCCC1 ZINC000929234658 711935449 /nfs/dbraw/zinc/93/54/49/711935449.db2.gz SUSYECKENASTMD-NSHDSACASA-N 0 3 222.307 3.158 20 0 BGADHN c1nc(-c2ccccc2)oc1CN1CCCCC1 ZINC000929239130 646028040 /nfs/dbraw/zinc/02/80/40/646028040.db2.gz VZMNQUPBFUTHJD-UHFFFAOYSA-N 0 3 242.322 3.328 20 0 BGADHN CCc1ncc(CN(C)[C@@H](C)C(C)(C)C)o1 ZINC000929248967 646033002 /nfs/dbraw/zinc/03/30/02/646033002.db2.gz AVXYUKQSTRKPFT-JTQLQIEISA-N 0 3 224.348 3.103 20 0 BGADHN CCc1ncc(CN(C)[C@H](C)C(C)(C)C)o1 ZINC000929248968 646034548 /nfs/dbraw/zinc/03/45/48/646034548.db2.gz AVXYUKQSTRKPFT-SNVBAGLBSA-N 0 3 224.348 3.103 20 0 BGADHN CCC[C@H](C)N(C)Cc1c(C)noc1CC ZINC000929251396 711946674 /nfs/dbraw/zinc/94/66/74/711946674.db2.gz BKICUVOYAYUHCX-JTQLQIEISA-N 0 3 224.348 3.166 20 0 BGADHN CCC[C@@H](C)N(C)Cc1c(C)noc1CC ZINC000929251397 711946768 /nfs/dbraw/zinc/94/67/68/711946768.db2.gz BKICUVOYAYUHCX-SNVBAGLBSA-N 0 3 224.348 3.166 20 0 BGADHN Cc1noc(C)c1CN(C)CCCC(C)(F)F ZINC000929254431 646036857 /nfs/dbraw/zinc/03/68/57/646036857.db2.gz NQKPZJQRYMYGOA-UHFFFAOYSA-N 0 3 246.301 3.159 20 0 BGADHN CCCCCN(Cc1nn(C)cc1C)C(C)C ZINC000929254708 646036611 /nfs/dbraw/zinc/03/66/11/646036611.db2.gz MSYAGSFINXDQRP-UHFFFAOYSA-N 0 3 237.391 3.129 20 0 BGADHN CCN(Cc1cnc(-c2ccccc2)o1)C1CC1 ZINC000929255098 646036941 /nfs/dbraw/zinc/03/69/41/646036941.db2.gz NTILQGSMWJSIBK-UHFFFAOYSA-N 0 3 242.322 3.326 20 0 BGADHN CCc1onc(C)c1CN(CC(C)C)C1CC1 ZINC000929256480 646038854 /nfs/dbraw/zinc/03/88/54/646038854.db2.gz DUXGUWQDFNDKML-UHFFFAOYSA-N 0 3 236.359 3.166 20 0 BGADHN CCC(CC)CN(CC)[C@H](C)c1ncccn1 ZINC000929260581 646043593 /nfs/dbraw/zinc/04/35/93/646043593.db2.gz GQBFMZVLHNDVNC-GFCCVEGCSA-N 0 3 235.375 3.296 20 0 BGADHN CCC(CC)CN(CC)[C@@H](C)c1ncccn1 ZINC000929260583 646042328 /nfs/dbraw/zinc/04/23/28/646042328.db2.gz GQBFMZVLHNDVNC-LBPRGKRZSA-N 0 3 235.375 3.296 20 0 BGADHN CCCN(CCC)[C@@H](C)c1snnc1C ZINC000929265943 646046295 /nfs/dbraw/zinc/04/62/95/646046295.db2.gz FGWGXIIGNCFWIW-JTQLQIEISA-N 0 3 227.377 3.030 20 0 BGADHN CCCN(CCC)[C@H](C)c1snnc1C ZINC000929265945 646045206 /nfs/dbraw/zinc/04/52/06/646045206.db2.gz FGWGXIIGNCFWIW-SNVBAGLBSA-N 0 3 227.377 3.030 20 0 BGADHN CCCCN(Cc1cnc(CC)o1)C1CC1 ZINC000929265957 646046111 /nfs/dbraw/zinc/04/61/11/646046111.db2.gz DRYBEAKNEUTAQY-UHFFFAOYSA-N 0 3 222.332 3.002 20 0 BGADHN CCCCN(Cc1c(C)noc1CC)C1CC1 ZINC000929266934 643876815 /nfs/dbraw/zinc/87/68/15/643876815.db2.gz WJIWVTGPXGIABD-UHFFFAOYSA-N 0 3 236.359 3.310 20 0 BGADHN Cc1cn(C)nc1CN(C1CC1)C1CCCCC1 ZINC000929271261 643884882 /nfs/dbraw/zinc/88/48/82/643884882.db2.gz LKPDIOTZKDNEMI-UHFFFAOYSA-N 0 3 247.386 3.026 20 0 BGADHN Cc1nc(C)c(CN(CCC(C)C)C2CC2)[nH]1 ZINC000929274198 646051067 /nfs/dbraw/zinc/05/10/67/646051067.db2.gz CLPFVSLHGZVICG-UHFFFAOYSA-N 0 3 235.375 3.037 20 0 BGADHN Cc1cc(CN(CCC(C)C)C2CC2)c(C)nn1 ZINC000929274517 643892014 /nfs/dbraw/zinc/89/20/14/643892014.db2.gz FYCVUYHXKMBBHV-UHFFFAOYSA-N 0 3 247.386 3.104 20 0 BGADHN CCc1ncc(CN(CCC(C)C)C2CC2)o1 ZINC000929275780 646054139 /nfs/dbraw/zinc/05/41/39/646054139.db2.gz ZUJWIWANARBAHM-UHFFFAOYSA-N 0 3 236.359 3.248 20 0 BGADHN Cc1ncc(CN(C)CCCC(C)(F)F)s1 ZINC000929284463 646058646 /nfs/dbraw/zinc/05/86/46/646058646.db2.gz CQKGLVYCXHFYJR-UHFFFAOYSA-N 0 3 248.342 3.319 20 0 BGADHN COC/C(C)=C\CN(C)[C@@H](C)c1cccs1 ZINC000929285255 646061308 /nfs/dbraw/zinc/06/13/08/646061308.db2.gz ZZKQBSJYUMGUQH-RDQDRAATSA-N 0 3 239.384 3.334 20 0 BGADHN COC/C(C)=C\CN(C)[C@H](C)c1cccs1 ZINC000929285256 646060258 /nfs/dbraw/zinc/06/02/58/646060258.db2.gz ZZKQBSJYUMGUQH-SEVUFMINSA-N 0 3 239.384 3.334 20 0 BGADHN COC/C(C)=C/CN(C)[C@@H](C)c1cccs1 ZINC000929285257 646058736 /nfs/dbraw/zinc/05/87/36/646058736.db2.gz ZZKQBSJYUMGUQH-VNKGSWCUSA-N 0 3 239.384 3.334 20 0 BGADHN COC/C(C)=C/CN(C)[C@H](C)c1cccs1 ZINC000929285258 646059528 /nfs/dbraw/zinc/05/95/28/646059528.db2.gz ZZKQBSJYUMGUQH-YTRUQHMWSA-N 0 3 239.384 3.334 20 0 BGADHN CCc1onc(C)c1CN(C)CCC(C)C ZINC000929292829 646069987 /nfs/dbraw/zinc/06/99/87/646069987.db2.gz HPJZXVBNJHRUJN-UHFFFAOYSA-N 0 3 224.348 3.023 20 0 BGADHN CCc1onc(C)c1CN1CCC(CC)CC1 ZINC000929296979 646070961 /nfs/dbraw/zinc/07/09/61/646070961.db2.gz HJHLTGOSGPMSTD-UHFFFAOYSA-N 0 3 236.359 3.167 20 0 BGADHN CCC1CCN([C@H](C)c2ccc(F)nc2)CC1 ZINC000929298284 646071882 /nfs/dbraw/zinc/07/18/82/646071882.db2.gz OKEDWEKDUSOOHJ-LLVKDONJSA-N 0 3 236.334 3.404 20 0 BGADHN CCC1CCN([C@@H](C)c2ccc(F)nc2)CC1 ZINC000929298286 643983909 /nfs/dbraw/zinc/98/39/09/643983909.db2.gz OKEDWEKDUSOOHJ-NSHDSACASA-N 0 3 236.334 3.404 20 0 BGADHN Fc1cccc([C@@H]2CCCN2CCOC2CC2)c1 ZINC000929313865 646074010 /nfs/dbraw/zinc/07/40/10/646074010.db2.gz JEDSYBDQNDEZRO-HNNXBMFYSA-N 0 3 249.329 3.142 20 0 BGADHN Fc1cccc([C@H]2CCCN2CCOC2CC2)c1 ZINC000929313866 646073461 /nfs/dbraw/zinc/07/34/61/646073461.db2.gz JEDSYBDQNDEZRO-OAHLLOKOSA-N 0 3 249.329 3.142 20 0 BGADHN CN(CCc1cccc(F)c1)Cc1ccoc1 ZINC000929327808 644147081 /nfs/dbraw/zinc/14/70/81/644147081.db2.gz MEYMGYIGTKVQRZ-UHFFFAOYSA-N 0 3 233.286 3.093 20 0 BGADHN CN(CCCC(C)(F)F)Cc1ccoc1 ZINC000929327813 646082316 /nfs/dbraw/zinc/08/23/16/646082316.db2.gz MJNQPXLAOOEYKD-UHFFFAOYSA-N 0 3 217.259 3.147 20 0 BGADHN Cc1nnsc1[C@@H](C)N1CCC[C@H](C)CC1 ZINC000929365315 646099506 /nfs/dbraw/zinc/09/95/06/646099506.db2.gz YFHOMHAEMUMLQY-GXSJLCMTSA-N 0 3 239.388 3.030 20 0 BGADHN Cc1nnsc1[C@H](C)N1CCC[C@@H](C)CC1 ZINC000929365317 646098632 /nfs/dbraw/zinc/09/86/32/646098632.db2.gz YFHOMHAEMUMLQY-KOLCDFICSA-N 0 3 239.388 3.030 20 0 BGADHN Cc1nnsc1[C@@H](C)N1CCC[C@@H](C)CC1 ZINC000929365318 646099022 /nfs/dbraw/zinc/09/90/22/646099022.db2.gz YFHOMHAEMUMLQY-MWLCHTKSSA-N 0 3 239.388 3.030 20 0 BGADHN Cc1nnsc1[C@H](C)N1CCC[C@H](C)CC1 ZINC000929365514 646099091 /nfs/dbraw/zinc/09/90/91/646099091.db2.gz YFHOMHAEMUMLQY-ONGXEEELSA-N 0 3 239.388 3.030 20 0 BGADHN COC/C(C)=C/CN(Cc1ccco1)C(C)C ZINC000929367661 646102024 /nfs/dbraw/zinc/10/20/24/646102024.db2.gz PWOFBIBMNJDEEP-NTUHNPAUSA-N 0 3 237.343 3.083 20 0 BGADHN COC/C(C)=C\CN(Cc1ccco1)C(C)C ZINC000929367663 646100864 /nfs/dbraw/zinc/10/08/64/646100864.db2.gz PWOFBIBMNJDEEP-QPEQYQDCSA-N 0 3 237.343 3.083 20 0 BGADHN CCCN(C)Cc1cnc(-c2ccccc2)o1 ZINC000929410552 646110300 /nfs/dbraw/zinc/11/03/00/646110300.db2.gz ASNSBCVSJAPNHG-UHFFFAOYSA-N 0 3 230.311 3.183 20 0 BGADHN Cc1nnsc1[C@H](C)N(C)CC1CCCC1 ZINC000929410780 646110329 /nfs/dbraw/zinc/11/03/29/646110329.db2.gz BZTQWYSELWAYPB-JTQLQIEISA-N 0 3 239.388 3.030 20 0 BGADHN Cc1nnsc1[C@@H](C)N(C)CC1CCCC1 ZINC000929410781 646109173 /nfs/dbraw/zinc/10/91/73/646109173.db2.gz BZTQWYSELWAYPB-SNVBAGLBSA-N 0 3 239.388 3.030 20 0 BGADHN Cc1cn(C)nc1CN(C)C1CCCCCCC1 ZINC000929425532 646117857 /nfs/dbraw/zinc/11/78/57/646117857.db2.gz NJBYFPUZXHJLEI-UHFFFAOYSA-N 0 3 249.402 3.273 20 0 BGADHN CCc1ncc(CN2CCC(C)(CC)CC2)o1 ZINC000929461769 641323704 /nfs/dbraw/zinc/32/37/04/641323704.db2.gz MKDHYWKQGLMWMJ-UHFFFAOYSA-N 0 3 236.359 3.249 20 0 BGADHN CCc1onc(C)c1CN(C)CC(C)(C)C ZINC000929482741 646138622 /nfs/dbraw/zinc/13/86/22/646138622.db2.gz UAGQHYTWDNZSNS-UHFFFAOYSA-N 0 3 224.348 3.023 20 0 BGADHN C[C@H](c1ccc(F)nc1)N1CCC(C)(C)CC1 ZINC000929483336 646140665 /nfs/dbraw/zinc/14/06/65/646140665.db2.gz DWIXWKTUIWEMPN-LLVKDONJSA-N 0 3 236.334 3.404 20 0 BGADHN C[C@@H](c1ccc(F)nc1)N1CCC(C)(C)CC1 ZINC000929483337 646139873 /nfs/dbraw/zinc/13/98/73/646139873.db2.gz DWIXWKTUIWEMPN-NSHDSACASA-N 0 3 236.334 3.404 20 0 BGADHN Cc1nnsc1[C@H](C)N1CCC(C)(C)CC1 ZINC000929483681 646140614 /nfs/dbraw/zinc/14/06/14/646140614.db2.gz LYPGVKMDBCXOGH-JTQLQIEISA-N 0 3 239.388 3.030 20 0 BGADHN Cc1nnsc1[C@@H](C)N1CCC(C)(C)CC1 ZINC000929483682 646140997 /nfs/dbraw/zinc/14/09/97/646140997.db2.gz LYPGVKMDBCXOGH-SNVBAGLBSA-N 0 3 239.388 3.030 20 0 BGADHN COC/C(C)=C\CN(C)Cc1ccc(C)s1 ZINC000929501397 646155160 /nfs/dbraw/zinc/15/51/60/646155160.db2.gz QVKRLXATYCMUBG-XFFZJAGNSA-N 0 3 239.384 3.081 20 0 BGADHN COC/C(C)=C/CN(C)Cc1ccc(C)s1 ZINC000929501398 646153873 /nfs/dbraw/zinc/15/38/73/646153873.db2.gz QVKRLXATYCMUBG-YRNVUSSQSA-N 0 3 239.384 3.081 20 0 BGADHN C[C@@H]1CN(Cc2ccccc2CF)CCS1 ZINC000929519203 646167503 /nfs/dbraw/zinc/16/75/03/646167503.db2.gz WCUZPCKWGKJZLG-LLVKDONJSA-N 0 3 239.359 3.093 20 0 BGADHN CC[C@H](C)[C@H](C)N(Cc1nn(C)cc1C)C1CC1 ZINC000929529054 646175864 /nfs/dbraw/zinc/17/58/64/646175864.db2.gz GYBMKKJEEILDIN-AAEUAGOBSA-N 0 3 249.402 3.128 20 0 BGADHN CC[C@@H](C)[C@@H](C)N(Cc1nn(C)cc1C)C1CC1 ZINC000929529055 646173895 /nfs/dbraw/zinc/17/38/95/646173895.db2.gz GYBMKKJEEILDIN-DGCLKSJQSA-N 0 3 249.402 3.128 20 0 BGADHN CC[C@H](C)[C@@H](C)N(Cc1nn(C)cc1C)C1CC1 ZINC000929529056 646173426 /nfs/dbraw/zinc/17/34/26/646173426.db2.gz GYBMKKJEEILDIN-WCQYABFASA-N 0 3 249.402 3.128 20 0 BGADHN CC[C@@H](C)[C@H](C)N(Cc1nn(C)cc1C)C1CC1 ZINC000929529057 646175260 /nfs/dbraw/zinc/17/52/60/646175260.db2.gz GYBMKKJEEILDIN-YPMHNXCESA-N 0 3 249.402 3.128 20 0 BGADHN c1ccc2c(c1)CN(CCCc1cccnc1)C2 ZINC000929583260 646185937 /nfs/dbraw/zinc/18/59/37/646185937.db2.gz IEXYPQPFHZMDJO-UHFFFAOYSA-N 0 3 238.334 3.030 20 0 BGADHN FC1(F)[C@@H]2C[C@@H](CN3Cc4ccccc4C3)C[C@@H]21 ZINC000929584722 646184535 /nfs/dbraw/zinc/18/45/35/646184535.db2.gz XTQRKHAIZKNVLH-OJNYZHBWSA-N 0 3 249.304 3.294 20 0 BGADHN CCc1ncc(CN(C2CC2)C2CCCC2)o1 ZINC000929599257 646191139 /nfs/dbraw/zinc/19/11/39/646191139.db2.gz LJQPWNHGPQZKTC-UHFFFAOYSA-N 0 3 234.343 3.144 20 0 BGADHN Cc1ncsc1CN(C)CCCC(C)(F)F ZINC000929605982 641374532 /nfs/dbraw/zinc/37/45/32/641374532.db2.gz KIRNDGYJEFQHRZ-UHFFFAOYSA-N 0 3 248.342 3.319 20 0 BGADHN CCc1onc(C)c1CN(C)C[C@@H](C)CC ZINC000929618283 646200115 /nfs/dbraw/zinc/20/01/15/646200115.db2.gz GJYVHLDRCDWZNB-JTQLQIEISA-N 0 3 224.348 3.023 20 0 BGADHN CCc1onc(C)c1CN(C)C[C@H](C)CC ZINC000929618286 646202052 /nfs/dbraw/zinc/20/20/52/646202052.db2.gz GJYVHLDRCDWZNB-SNVBAGLBSA-N 0 3 224.348 3.023 20 0 BGADHN CC(C)C[C@@H]1COCCN1CCCC(C)(F)F ZINC000929644714 646217972 /nfs/dbraw/zinc/21/79/72/646217972.db2.gz ULYFQYJHLOUDFS-GFCCVEGCSA-N 0 3 249.345 3.169 20 0 BGADHN CC(C)C[C@H]1COCCN1CCCC(C)(F)F ZINC000929644715 646219800 /nfs/dbraw/zinc/21/98/00/646219800.db2.gz ULYFQYJHLOUDFS-LBPRGKRZSA-N 0 3 249.345 3.169 20 0 BGADHN C[C@@H]1CSCCN1Cc1ccccc1CF ZINC000929687750 646244291 /nfs/dbraw/zinc/24/42/91/646244291.db2.gz HAOFBUZOLYZVFR-LLVKDONJSA-N 0 3 239.359 3.093 20 0 BGADHN C[C@H]1CSCCN1Cc1ccccc1CF ZINC000929687751 646243192 /nfs/dbraw/zinc/24/31/92/646243192.db2.gz HAOFBUZOLYZVFR-NSHDSACASA-N 0 3 239.359 3.093 20 0 BGADHN CCc1ncc(CN2CCC3(CCCC3)CC2)o1 ZINC000929690672 641398743 /nfs/dbraw/zinc/39/87/43/641398743.db2.gz ONKIXFRCXWINGJ-UHFFFAOYSA-N 0 3 248.370 3.393 20 0 BGADHN C[C@H](c1ncccn1)N1CCCC(C)(C)CC1 ZINC000929709012 646263467 /nfs/dbraw/zinc/26/34/67/646263467.db2.gz HIOIZPMEWPUVEY-GFCCVEGCSA-N 0 3 233.359 3.050 20 0 BGADHN C[C@@H](c1ncccn1)N1CCCC(C)(C)CC1 ZINC000929709013 646264798 /nfs/dbraw/zinc/26/47/98/646264798.db2.gz HIOIZPMEWPUVEY-LBPRGKRZSA-N 0 3 233.359 3.050 20 0 BGADHN CCc1ncc(CN2CCC3(C2)CCCCC3)o1 ZINC000929714315 646267900 /nfs/dbraw/zinc/26/79/00/646267900.db2.gz KZMZTMSNCDKPPF-UHFFFAOYSA-N 0 3 248.370 3.393 20 0 BGADHN Cc1cc(CN2C3CCCC2CCC3)c(C)nn1 ZINC000929717536 641417647 /nfs/dbraw/zinc/41/76/47/641417647.db2.gz ICUKHSYIOLOWOF-UHFFFAOYSA-N 0 3 245.370 3.000 20 0 BGADHN CCc1ncc(CN2C3CCCC2CCC3)o1 ZINC000929719271 641418608 /nfs/dbraw/zinc/41/86/08/641418608.db2.gz XBUAOMZAQOHWML-UHFFFAOYSA-N 0 3 234.343 3.144 20 0 BGADHN CN(Cc1cnc(-c2ccccc2)o1)C1CCC1 ZINC000929719848 646270861 /nfs/dbraw/zinc/27/08/61/646270861.db2.gz IUGHGXRJNYJJDJ-UHFFFAOYSA-N 0 3 242.322 3.326 20 0 BGADHN CCc1ncc(CN2CCC(C(C)C)CC2)o1 ZINC000929719959 646274091 /nfs/dbraw/zinc/27/40/91/646274091.db2.gz SBUQKYMIZPXAAU-UHFFFAOYSA-N 0 3 236.359 3.105 20 0 BGADHN CCc1ncc(CN2CCC[C@](C)(CC)C2)o1 ZINC000929747529 711848804 /nfs/dbraw/zinc/84/88/04/711848804.db2.gz DZLAPFYZLOGQFK-AWEZNQCLSA-N 0 3 236.359 3.249 20 0 BGADHN CCc1ncc(CN2CCC[C@@](C)(CC)C2)o1 ZINC000929747531 711848821 /nfs/dbraw/zinc/84/88/21/711848821.db2.gz DZLAPFYZLOGQFK-CQSZACIVSA-N 0 3 236.359 3.249 20 0 BGADHN C[C@@H](c1ccc(F)nc1)N1CCC(C)(C)C1 ZINC000929750362 646284251 /nfs/dbraw/zinc/28/42/51/646284251.db2.gz TWCAXBJPDXGKRD-JTQLQIEISA-N 0 3 222.307 3.014 20 0 BGADHN C[C@H](c1ccc(F)nc1)N1CCC(C)(C)C1 ZINC000929750365 646284125 /nfs/dbraw/zinc/28/41/25/646284125.db2.gz TWCAXBJPDXGKRD-SNVBAGLBSA-N 0 3 222.307 3.014 20 0 BGADHN CCc1ncc(CN2CCC3(CCCC3)C2)o1 ZINC000929750788 646282970 /nfs/dbraw/zinc/28/29/70/646282970.db2.gz XAMJDISLKHYFDV-UHFFFAOYSA-N 0 3 234.343 3.003 20 0 BGADHN C[C@H]1CCN(CCOC2CC2)[C@@H](c2ccco2)C1 ZINC000929756814 646289410 /nfs/dbraw/zinc/28/94/10/646289410.db2.gz ATVFWIFAQKYEPM-GXTWGEPZSA-N 0 3 249.354 3.232 20 0 BGADHN C[C@H]1CCN(CCOC2CC2)[C@H](c2ccco2)C1 ZINC000929756815 646288225 /nfs/dbraw/zinc/28/82/25/646288225.db2.gz ATVFWIFAQKYEPM-JSGCOSHPSA-N 0 3 249.354 3.232 20 0 BGADHN C[C@@H]1CCN(CCOC2CC2)[C@H](c2ccco2)C1 ZINC000929756816 646287581 /nfs/dbraw/zinc/28/75/81/646287581.db2.gz ATVFWIFAQKYEPM-OCCSQVGLSA-N 0 3 249.354 3.232 20 0 BGADHN C[C@@H]1CCN(CCOC2CC2)[C@@H](c2ccco2)C1 ZINC000929756817 646288684 /nfs/dbraw/zinc/28/86/84/646288684.db2.gz ATVFWIFAQKYEPM-TZMCWYRMSA-N 0 3 249.354 3.232 20 0 BGADHN CN(CCOC1CC1)Cc1cc2ccccc2o1 ZINC000929769287 646296843 /nfs/dbraw/zinc/29/68/43/646296843.db2.gz NXXIWMSGEUQUMA-UHFFFAOYSA-N 0 3 245.322 3.044 20 0 BGADHN CCC1CCC(N(C)Cc2nn(C)cc2C)CC1 ZINC000929777590 646305448 /nfs/dbraw/zinc/30/54/48/646305448.db2.gz FIDNKINYEDULEC-UHFFFAOYSA-N 0 3 249.402 3.129 20 0 BGADHN CC[C@H](C)CN(CC)[C@H](C)c1snnc1C ZINC000929785340 646310739 /nfs/dbraw/zinc/31/07/39/646310739.db2.gz RGDDDXFQWMBDLW-GXSJLCMTSA-N 0 3 241.404 3.276 20 0 BGADHN CC[C@@H](C)CN(CC)[C@@H](C)c1snnc1C ZINC000929785341 646315495 /nfs/dbraw/zinc/31/54/95/646315495.db2.gz RGDDDXFQWMBDLW-KOLCDFICSA-N 0 3 241.404 3.276 20 0 BGADHN CC[C@@H](C)CN(CC)[C@H](C)c1snnc1C ZINC000929785342 646315004 /nfs/dbraw/zinc/31/50/04/646315004.db2.gz RGDDDXFQWMBDLW-MWLCHTKSSA-N 0 3 241.404 3.276 20 0 BGADHN CC[C@H](C)CN(CC)[C@@H](C)c1snnc1C ZINC000929785343 646313886 /nfs/dbraw/zinc/31/38/86/646313886.db2.gz RGDDDXFQWMBDLW-ONGXEEELSA-N 0 3 241.404 3.276 20 0 BGADHN c1cc(CCN2CC[C@H]2c2ccccc2)sn1 ZINC000929787872 646316338 /nfs/dbraw/zinc/31/63/38/646316338.db2.gz NOYQGHCIOVUPAC-AWEZNQCLSA-N 0 3 244.363 3.133 20 0 BGADHN c1cc(CCN2CC[C@@H]2c2ccccc2)sn1 ZINC000929787873 646318786 /nfs/dbraw/zinc/31/87/86/646318786.db2.gz NOYQGHCIOVUPAC-CQSZACIVSA-N 0 3 244.363 3.133 20 0 BGADHN COC/C(C)=C\CN1C[C@H](C)[C@H]1c1ccccc1 ZINC000929789015 641560724 /nfs/dbraw/zinc/56/07/24/641560724.db2.gz UOGIBWNRGBXPTN-DVKXPDSUSA-N 0 3 245.366 3.272 20 0 BGADHN COC/C(C)=C/CN1C[C@H](C)[C@H]1c1ccccc1 ZINC000929789017 641561237 /nfs/dbraw/zinc/56/12/37/641561237.db2.gz UOGIBWNRGBXPTN-OOFRTQJVSA-N 0 3 245.366 3.272 20 0 BGADHN COC/C(C)=C/CN1C[C@H](C)[C@@H]1c1ccccc1 ZINC000929789021 641561531 /nfs/dbraw/zinc/56/15/31/641561531.db2.gz UOGIBWNRGBXPTN-POPWGMBXSA-N 0 3 245.366 3.272 20 0 BGADHN COC/C(C)=C\CN1C[C@H](C)[C@@H]1c1ccccc1 ZINC000929789025 641561199 /nfs/dbraw/zinc/56/11/99/641561199.db2.gz UOGIBWNRGBXPTN-ZMTKHRCCSA-N 0 3 245.366 3.272 20 0 BGADHN COC/C(C)=C\CN1CC[C@@H]1c1ccccc1 ZINC000929790210 646318050 /nfs/dbraw/zinc/31/80/50/646318050.db2.gz UPJHWIQIEFAFRL-JEMSNHSXSA-N 0 3 231.339 3.026 20 0 BGADHN COC/C(C)=C/CN1CC[C@H]1c1ccccc1 ZINC000929790211 646317106 /nfs/dbraw/zinc/31/71/06/646317106.db2.gz UPJHWIQIEFAFRL-NRUITVPNSA-N 0 3 231.339 3.026 20 0 BGADHN COC/C(C)=C\CN1CC[C@H]1c1ccccc1 ZINC000929790212 646317719 /nfs/dbraw/zinc/31/77/19/646317719.db2.gz UPJHWIQIEFAFRL-ODDCISTRSA-N 0 3 231.339 3.026 20 0 BGADHN COC/C(C)=C/CN1CC[C@@H]1c1ccccc1 ZINC000929790213 646318948 /nfs/dbraw/zinc/31/89/48/646318948.db2.gz UPJHWIQIEFAFRL-XETPBLJFSA-N 0 3 231.339 3.026 20 0 BGADHN CCc1onc(C)c1CN(C)[C@H](C)C1(C)CC1 ZINC000929815482 646333903 /nfs/dbraw/zinc/33/39/03/646333903.db2.gz DFFNQIVIUONAOZ-LLVKDONJSA-N 0 3 236.359 3.166 20 0 BGADHN CCc1onc(C)c1CN(C)[C@@H](C)C1(C)CC1 ZINC000929815484 646334621 /nfs/dbraw/zinc/33/46/21/646334621.db2.gz DFFNQIVIUONAOZ-NSHDSACASA-N 0 3 236.359 3.166 20 0 BGADHN Cc1cn(C)nc1CN(C)C1CCC(C)(C)CC1 ZINC000929821360 646339932 /nfs/dbraw/zinc/33/99/32/646339932.db2.gz AYCFCJJUMKQQDC-UHFFFAOYSA-N 0 3 249.402 3.129 20 0 BGADHN CCc1ncc(CN2CCC(CC)(CC)C2)o1 ZINC000929824179 646340046 /nfs/dbraw/zinc/34/00/46/646340046.db2.gz ULDZCYGRTDYFPK-UHFFFAOYSA-N 0 3 236.359 3.249 20 0 BGADHN CCC[C@@H]1CCCN(Cc2cnc(CC)o2)C1 ZINC000929824773 646341923 /nfs/dbraw/zinc/34/19/23/646341923.db2.gz FXUUBBSRNGYTRC-GFCCVEGCSA-N 0 3 236.359 3.249 20 0 BGADHN CCC[C@H]1CCCN(Cc2cnc(CC)o2)C1 ZINC000929824775 646340776 /nfs/dbraw/zinc/34/07/76/646340776.db2.gz FXUUBBSRNGYTRC-LBPRGKRZSA-N 0 3 236.359 3.249 20 0 BGADHN CC[C@@H]1CCN([C@H](C)c2ccc(F)nc2)C1 ZINC000929825452 646342523 /nfs/dbraw/zinc/34/25/23/646342523.db2.gz ZMVDWFROUINZJW-GHMZBOCLSA-N 0 3 222.307 3.014 20 0 BGADHN CC[C@H]1CCN([C@H](C)c2ccc(F)nc2)C1 ZINC000929825454 646341292 /nfs/dbraw/zinc/34/12/92/646341292.db2.gz ZMVDWFROUINZJW-MNOVXSKESA-N 0 3 222.307 3.014 20 0 BGADHN CC[C@H]1CCN([C@@H](C)c2ccc(F)nc2)C1 ZINC000929825456 646341741 /nfs/dbraw/zinc/34/17/41/646341741.db2.gz ZMVDWFROUINZJW-QWRGUYRKSA-N 0 3 222.307 3.014 20 0 BGADHN CC[C@@H]1CCN([C@@H](C)c2ccc(F)nc2)C1 ZINC000929825457 646340734 /nfs/dbraw/zinc/34/07/34/646340734.db2.gz ZMVDWFROUINZJW-WDEREUQCSA-N 0 3 222.307 3.014 20 0 BGADHN CC[C@]1(C)CCN([C@@H](C)c2snnc2C)C1 ZINC000929827636 646343206 /nfs/dbraw/zinc/34/32/06/646343206.db2.gz FBIVHANXBFRPJE-CMPLNLGQSA-N 0 3 239.388 3.030 20 0 BGADHN CC[C@@]1(C)CCN([C@@H](C)c2snnc2C)C1 ZINC000929827638 646343982 /nfs/dbraw/zinc/34/39/82/646343982.db2.gz FBIVHANXBFRPJE-JQWIXIFHSA-N 0 3 239.388 3.030 20 0 BGADHN CC[C@@]1(C)CCN([C@H](C)c2snnc2C)C1 ZINC000929827640 646344626 /nfs/dbraw/zinc/34/46/26/646344626.db2.gz FBIVHANXBFRPJE-PWSUYJOCSA-N 0 3 239.388 3.030 20 0 BGADHN CC[C@]1(C)CCN([C@H](C)c2snnc2C)C1 ZINC000929827642 646327356 /nfs/dbraw/zinc/32/73/56/646327356.db2.gz FBIVHANXBFRPJE-ZYHUDNBSSA-N 0 3 239.388 3.030 20 0 BGADHN CC[C@]1(C)CCN([C@H](C)c2ccc(F)nc2)C1 ZINC000929827964 646344657 /nfs/dbraw/zinc/34/46/57/646344657.db2.gz GENAADWAFQRIJZ-BXUZGUMPSA-N 0 3 236.334 3.404 20 0 BGADHN CC[C@@]1(C)CCN([C@@H](C)c2ccc(F)nc2)C1 ZINC000929827966 646343742 /nfs/dbraw/zinc/34/37/42/646343742.db2.gz GENAADWAFQRIJZ-FZMZJTMJSA-N 0 3 236.334 3.404 20 0 BGADHN CC[C@@]1(C)CCN([C@H](C)c2ccc(F)nc2)C1 ZINC000929827967 646344994 /nfs/dbraw/zinc/34/49/94/646344994.db2.gz GENAADWAFQRIJZ-RISCZKNCSA-N 0 3 236.334 3.404 20 0 BGADHN CC[C@]1(C)CCN([C@@H](C)c2ccc(F)nc2)C1 ZINC000929827969 646344462 /nfs/dbraw/zinc/34/44/62/646344462.db2.gz GENAADWAFQRIJZ-SMDDNHRTSA-N 0 3 236.334 3.404 20 0 BGADHN C[C@H](c1ccc(F)nc1)N1CCC2(CCC2)C1 ZINC000929829522 646346982 /nfs/dbraw/zinc/34/69/82/646346982.db2.gz RUYBTGQQDZFZLI-LLVKDONJSA-N 0 3 234.318 3.158 20 0 BGADHN C[C@@H](c1ccc(F)nc1)N1CCC2(CCC2)C1 ZINC000929829524 646345733 /nfs/dbraw/zinc/34/57/33/646345733.db2.gz RUYBTGQQDZFZLI-NSHDSACASA-N 0 3 234.318 3.158 20 0 BGADHN Cc1nc(C)c(CN2CCC(CC(C)C)CC2)[nH]1 ZINC000929834809 646348791 /nfs/dbraw/zinc/34/87/91/646348791.db2.gz LDMZXODYLWPNBO-UHFFFAOYSA-N 0 3 249.402 3.285 20 0 BGADHN CC(F)(F)CCCN1CCOC2(CCCC2)C1 ZINC000929849287 646357067 /nfs/dbraw/zinc/35/70/67/646357067.db2.gz XAWAESKLIIQTJA-UHFFFAOYSA-N 0 3 247.329 3.067 20 0 BGADHN CC1CC(CNC(C)(C)c2nccs2)C1 ZINC000929985621 646384104 /nfs/dbraw/zinc/38/41/04/646384104.db2.gz BGAIQOBCRZQBLY-UHFFFAOYSA-N 0 3 224.373 3.014 20 0 BGADHN CCC(CC)(CC)NCc1c(F)cncc1F ZINC000929995331 646387837 /nfs/dbraw/zinc/38/78/37/646387837.db2.gz DBRXLIGAQYUZGA-UHFFFAOYSA-N 0 3 242.313 3.418 20 0 BGADHN CC1CC(CN(C)Cc2nc3ccccc3o2)C1 ZINC000930032484 642224246 /nfs/dbraw/zinc/22/42/46/642224246.db2.gz QRPZQFORKFNQMQ-UHFFFAOYSA-N 0 3 244.338 3.306 20 0 BGADHN CC[C@@H]1C[C@H]1CN(C)Cc1nc2ccccc2o1 ZINC000930033486 646403810 /nfs/dbraw/zinc/40/38/10/646403810.db2.gz XZOUCTUVJQGUSU-NEPJUHHUSA-N 0 3 244.338 3.306 20 0 BGADHN CC(F)(F)CCCN1CCOCC12CCCC2 ZINC000930133269 646454377 /nfs/dbraw/zinc/45/43/77/646454377.db2.gz ILURDWVTHALIDL-UHFFFAOYSA-N 0 3 247.329 3.067 20 0 BGADHN C[C@H](c1ccc(F)nc1)N1CC[C@@H](C)[C@@H](C)C1 ZINC000930144773 646457775 /nfs/dbraw/zinc/45/77/75/646457775.db2.gz GHXDKGQFQHUZKP-GRYCIOLGSA-N 0 3 236.334 3.260 20 0 BGADHN C[C@H](c1ccc(F)nc1)N1CC[C@@H](C)[C@H](C)C1 ZINC000930144777 646457514 /nfs/dbraw/zinc/45/75/14/646457514.db2.gz GHXDKGQFQHUZKP-IJLUTSLNSA-N 0 3 236.334 3.260 20 0 BGADHN C[C@@H](c1ccc(F)nc1)N1CC[C@@H](C)[C@H](C)C1 ZINC000930144780 646457418 /nfs/dbraw/zinc/45/74/18/646457418.db2.gz GHXDKGQFQHUZKP-UTUOFQBUSA-N 0 3 236.334 3.260 20 0 BGADHN C[C@@H](c1ccc(F)nc1)N1CC[C@@H](C)[C@@H](C)C1 ZINC000930144783 646457924 /nfs/dbraw/zinc/45/79/24/646457924.db2.gz GHXDKGQFQHUZKP-WOPDTQHZSA-N 0 3 236.334 3.260 20 0 BGADHN CCc1ncc(CN2CC[C@@H](C)C3(CCC3)C2)o1 ZINC000930171534 646473380 /nfs/dbraw/zinc/47/33/80/646473380.db2.gz RAYLDVWBBZNVBQ-GFCCVEGCSA-N 0 3 248.370 3.249 20 0 BGADHN CCc1ncc(CN2CC[C@H](C)C3(CCC3)C2)o1 ZINC000930171536 646472560 /nfs/dbraw/zinc/47/25/60/646472560.db2.gz RAYLDVWBBZNVBQ-LBPRGKRZSA-N 0 3 248.370 3.249 20 0 BGADHN C[C@@H](NCc1ccccc1CF)c1cccnc1 ZINC000930185853 712682548 /nfs/dbraw/zinc/68/25/48/712682548.db2.gz NSWUTMUOOIKSDH-GFCCVEGCSA-N 0 3 244.313 3.402 20 0 BGADHN C[C@H](NCc1ccccc1CF)c1cccnc1 ZINC000930185857 712682613 /nfs/dbraw/zinc/68/26/13/712682613.db2.gz NSWUTMUOOIKSDH-LBPRGKRZSA-N 0 3 244.313 3.402 20 0 BGADHN C[C@@H](N[C@@H](C)c1ncccn1)C1CCCCC1 ZINC000930187838 646483900 /nfs/dbraw/zinc/48/39/00/646483900.db2.gz HQNOCXRFPWVQDG-NEPJUHHUSA-N 0 3 233.359 3.096 20 0 BGADHN C[C@@H](N[C@@H](C)C1CCCCC1)c1ncccn1 ZINC000930187839 646484426 /nfs/dbraw/zinc/48/44/26/646484426.db2.gz HQNOCXRFPWVQDG-NWDGAFQWSA-N 0 3 233.359 3.096 20 0 BGADHN C[C@H](N[C@@H](C)C1CCCCC1)c1ncccn1 ZINC000930187840 646484727 /nfs/dbraw/zinc/48/47/27/646484727.db2.gz HQNOCXRFPWVQDG-RYUDHWBXSA-N 0 3 233.359 3.096 20 0 BGADHN C[C@@H](N[C@H](C)C1CCCCC1)c1ncccn1 ZINC000930187841 646484073 /nfs/dbraw/zinc/48/40/73/646484073.db2.gz HQNOCXRFPWVQDG-VXGBXAGGSA-N 0 3 233.359 3.096 20 0 BGADHN CC[C@@H](C)[C@@H](C)NCc1coc(C(C)(C)C)n1 ZINC000930225902 639642526 /nfs/dbraw/zinc/64/25/26/639642526.db2.gz GVKYDCJZKADVTJ-GHMZBOCLSA-N 0 3 238.375 3.496 20 0 BGADHN CC[C@@H](C)[C@H](C)NCc1coc(C(C)(C)C)n1 ZINC000930225904 639643512 /nfs/dbraw/zinc/64/35/12/639643512.db2.gz GVKYDCJZKADVTJ-MNOVXSKESA-N 0 3 238.375 3.496 20 0 BGADHN CC[C@H](C)[C@H](C)NCc1coc(C(C)(C)C)n1 ZINC000930225905 639636362 /nfs/dbraw/zinc/63/63/62/639636362.db2.gz GVKYDCJZKADVTJ-QWRGUYRKSA-N 0 3 238.375 3.496 20 0 BGADHN CC[C@H](C)[C@@H](C)NCc1coc(C(C)(C)C)n1 ZINC000930225907 639638276 /nfs/dbraw/zinc/63/82/76/639638276.db2.gz GVKYDCJZKADVTJ-WDEREUQCSA-N 0 3 238.375 3.496 20 0 BGADHN CC(C)C(NCc1c(F)cncc1F)C(C)C ZINC000930239494 639645669 /nfs/dbraw/zinc/64/56/69/639645669.db2.gz WXNKZXRYYVECGL-UHFFFAOYSA-N 0 3 242.313 3.130 20 0 BGADHN CCc1ncc(CN2CCCC3(CCCC3)C2)o1 ZINC000930249016 639658899 /nfs/dbraw/zinc/65/88/99/639658899.db2.gz OGSRUMRTVNUTQU-UHFFFAOYSA-N 0 3 248.370 3.393 20 0 BGADHN C[C@H]1C[C@H](C)N1Cc1cnc(-c2ccccc2)o1 ZINC000930273182 639675489 /nfs/dbraw/zinc/67/54/89/639675489.db2.gz NMDIZLHEPPXCDY-RYUDHWBXSA-N 0 3 242.322 3.324 20 0 BGADHN C[C@@H]1C[C@H](C)N1Cc1cnc(-c2ccccc2)o1 ZINC000930273183 639676621 /nfs/dbraw/zinc/67/66/21/639676621.db2.gz NMDIZLHEPPXCDY-TXEJJXNPSA-N 0 3 242.322 3.324 20 0 BGADHN C[C@@H]1C[C@@H](C)N1Cc1cnc(-c2ccccc2)o1 ZINC000930273184 712621425 /nfs/dbraw/zinc/62/14/25/712621425.db2.gz NMDIZLHEPPXCDY-VXGBXAGGSA-N 0 3 242.322 3.324 20 0 BGADHN CC(F)(F)CCCN1CCC(F)(F)CC1 ZINC000930293608 639681848 /nfs/dbraw/zinc/68/18/48/639681848.db2.gz UYEIVUQCYWRVLV-UHFFFAOYSA-N 0 3 227.245 3.153 20 0 BGADHN CCN(CC1CCC1)[C@@H](C)c1snnc1C ZINC000930293665 639684942 /nfs/dbraw/zinc/68/49/42/639684942.db2.gz WMPNARGLOVVZCP-JTQLQIEISA-N 0 3 239.388 3.030 20 0 BGADHN CCN(CC1CCC1)[C@H](C)c1snnc1C ZINC000930293666 639685666 /nfs/dbraw/zinc/68/56/66/639685666.db2.gz WMPNARGLOVVZCP-SNVBAGLBSA-N 0 3 239.388 3.030 20 0 BGADHN C[C@H](c1ncccn1)N1CCC[C@@H](C(C)(C)C)C1 ZINC000930295987 639688364 /nfs/dbraw/zinc/68/83/64/639688364.db2.gz LAWVVAUKEDHMMQ-CHWSQXEVSA-N 0 3 247.386 3.296 20 0 BGADHN C[C@H](c1ncccn1)N1CCC[C@H](C(C)(C)C)C1 ZINC000930295988 639686424 /nfs/dbraw/zinc/68/64/24/639686424.db2.gz LAWVVAUKEDHMMQ-OLZOCXBDSA-N 0 3 247.386 3.296 20 0 BGADHN C[C@@H](c1ncccn1)N1CCC[C@@H](C(C)(C)C)C1 ZINC000930295989 639687759 /nfs/dbraw/zinc/68/77/59/639687759.db2.gz LAWVVAUKEDHMMQ-QWHCGFSZSA-N 0 3 247.386 3.296 20 0 BGADHN C[C@@H](c1ncccn1)N1CCC[C@H](C(C)(C)C)C1 ZINC000930295990 639687956 /nfs/dbraw/zinc/68/79/56/639687956.db2.gz LAWVVAUKEDHMMQ-STQMWFEESA-N 0 3 247.386 3.296 20 0 BGADHN Cc1cc(C)nc(CN2CCC(C)=C(C)C2)c1 ZINC000930298787 639688016 /nfs/dbraw/zinc/68/80/16/639688016.db2.gz QMANRBFNOULOAO-UHFFFAOYSA-N 0 3 230.355 3.241 20 0 BGADHN CCc1onc(C)c1CN1CCC(C)=C(C)C1 ZINC000930299268 639690524 /nfs/dbraw/zinc/69/05/24/639690524.db2.gz WUWNLPQLAJUJCQ-UHFFFAOYSA-N 0 3 234.343 3.088 20 0 BGADHN CC(C)c1ncc(CN(C)CC2CC(C)C2)cn1 ZINC000930321483 645951602 /nfs/dbraw/zinc/95/16/02/645951602.db2.gz OPNCBQURDMGXLL-UHFFFAOYSA-N 0 3 247.386 3.078 20 0 BGADHN CC[C@@H]1C[C@H]1CN(C)Cc1cnc(C(C)C)nc1 ZINC000930321695 639702475 /nfs/dbraw/zinc/70/24/75/639702475.db2.gz UQDSYLNJGUOGRY-KGLIPLIRSA-N 0 3 247.386 3.078 20 0 BGADHN Cc1cn(C)nc1CN(C)[C@H](C)C1CCCCC1 ZINC000930349829 639725407 /nfs/dbraw/zinc/72/54/07/639725407.db2.gz AHIPHMQZPNFFRN-CYBMUJFWSA-N 0 3 249.402 3.129 20 0 BGADHN Cc1cn(C)nc1CN(C)[C@@H](C)C1CCCCC1 ZINC000930349830 639725629 /nfs/dbraw/zinc/72/56/29/639725629.db2.gz AHIPHMQZPNFFRN-ZDUSSCGKSA-N 0 3 249.402 3.129 20 0 BGADHN CCc1ncc(CN2CCC3(CCC3)CC2)o1 ZINC000930464729 639769061 /nfs/dbraw/zinc/76/90/61/639769061.db2.gz YFVKCCBKZSGNOA-UHFFFAOYSA-N 0 3 234.343 3.003 20 0 BGADHN CC[C@@H]1C[C@H]1CN[C@@H](C)c1c(F)cncc1F ZINC000930473834 639772987 /nfs/dbraw/zinc/77/29/87/639772987.db2.gz COISWLYTJPREEV-AEJSXWLSSA-N 0 3 240.297 3.057 20 0 BGADHN CC[C@@H]1C[C@H]1CN[C@H](C)c1c(F)cncc1F ZINC000930473836 639770508 /nfs/dbraw/zinc/77/05/08/639770508.db2.gz COISWLYTJPREEV-BBBLOLIVSA-N 0 3 240.297 3.057 20 0 BGADHN C[C@@H](NCC1CC(C)C1)c1c(F)cncc1F ZINC000930473874 639770316 /nfs/dbraw/zinc/77/03/16/639770316.db2.gz DHPMTBTYDPJTNU-HWOCKDDLSA-N 0 3 240.297 3.057 20 0 BGADHN C[C@H](NCC1CC(C)C1)c1c(F)cncc1F ZINC000930473875 639772271 /nfs/dbraw/zinc/77/22/71/639772271.db2.gz DHPMTBTYDPJTNU-KYHHOPLUSA-N 0 3 240.297 3.057 20 0 BGADHN C[C@H](c1ccc(F)nc1)N1CCC[C@@H](C2CC2)C1 ZINC000930498006 633852539 /nfs/dbraw/zinc/85/25/39/633852539.db2.gz BLWQBXGGFFNPAQ-BXUZGUMPSA-N 0 3 248.345 3.404 20 0 BGADHN C[C@@H](c1ccc(F)nc1)N1CCC[C@H](C2CC2)C1 ZINC000930498007 633851482 /nfs/dbraw/zinc/85/14/82/633851482.db2.gz BLWQBXGGFFNPAQ-FZMZJTMJSA-N 0 3 248.345 3.404 20 0 BGADHN C[C@H](c1ccc(F)nc1)N1CCC[C@H](C2CC2)C1 ZINC000930498008 633851984 /nfs/dbraw/zinc/85/19/84/633851984.db2.gz BLWQBXGGFFNPAQ-RISCZKNCSA-N 0 3 248.345 3.404 20 0 BGADHN C[C@@H](c1ccc(F)nc1)N1CCC[C@@H](C2CC2)C1 ZINC000930498009 633851445 /nfs/dbraw/zinc/85/14/45/633851445.db2.gz BLWQBXGGFFNPAQ-SMDDNHRTSA-N 0 3 248.345 3.404 20 0 BGADHN CC(F)(F)CCCN1CCCc2occc2C1 ZINC000930505511 639788398 /nfs/dbraw/zinc/78/83/98/639788398.db2.gz AOYCHOYMCQYLCI-UHFFFAOYSA-N 0 3 243.297 3.463 20 0 BGADHN c1nc2c([nH]1)CN(CCCC1CCCCC1)CC2 ZINC000930515243 639795766 /nfs/dbraw/zinc/79/57/66/639795766.db2.gz JVHTYMYQSMHPSH-UHFFFAOYSA-N 0 3 247.386 3.128 20 0 BGADHN CCc1ncc(CN2CCC(C)(C3CC3)CC2)o1 ZINC000930517706 639793507 /nfs/dbraw/zinc/79/35/07/639793507.db2.gz RAZMBOFNYLQMGP-UHFFFAOYSA-N 0 3 248.370 3.249 20 0 BGADHN CCCC[C@@H](C)N(C)Cc1cnc(CC)o1 ZINC000930525420 639799648 /nfs/dbraw/zinc/79/96/48/639799648.db2.gz GSBCLGRRKQSJPH-LLVKDONJSA-N 0 3 224.348 3.248 20 0 BGADHN CCCC[C@H](C)N(C)Cc1cnc(CC)o1 ZINC000930525421 639800255 /nfs/dbraw/zinc/80/02/55/639800255.db2.gz GSBCLGRRKQSJPH-NSHDSACASA-N 0 3 224.348 3.248 20 0 BGADHN CCc1ncc(CN(CC)CC(C)(C)C)o1 ZINC000930534309 639804274 /nfs/dbraw/zinc/80/42/74/639804274.db2.gz FZVBGBQOGZPWOT-UHFFFAOYSA-N 0 3 224.348 3.105 20 0 BGADHN CCc1onc(C)c1CN(CC)CC(C)(C)C ZINC000930536714 639803034 /nfs/dbraw/zinc/80/30/34/639803034.db2.gz WAZGRKCBPQJZEQ-UHFFFAOYSA-N 0 3 238.375 3.413 20 0 BGADHN CCc1onc(C)c1CN1CCC(C2CC2)CC1 ZINC000930545280 639809073 /nfs/dbraw/zinc/80/90/73/639809073.db2.gz LOAUHWQHEHSNSX-UHFFFAOYSA-N 0 3 248.370 3.167 20 0 BGADHN C[C@H](c1ccc(F)nc1)N1CCC(C2CC2)CC1 ZINC000930546469 639809679 /nfs/dbraw/zinc/80/96/79/639809679.db2.gz RWVQUNGHBXRHMC-LLVKDONJSA-N 0 3 248.345 3.404 20 0 BGADHN C[C@@H](c1ccc(F)nc1)N1CCC(C2CC2)CC1 ZINC000930546471 639809196 /nfs/dbraw/zinc/80/91/96/639809196.db2.gz RWVQUNGHBXRHMC-NSHDSACASA-N 0 3 248.345 3.404 20 0 BGADHN CCc1ncc(CN(C2CCC2)C2CCC2)o1 ZINC000930556212 639810768 /nfs/dbraw/zinc/81/07/68/639810768.db2.gz KDHMVAPHMHWOKV-UHFFFAOYSA-N 0 3 234.343 3.144 20 0 BGADHN CCc1nocc1CN(C)CCCC(C)(F)F ZINC000930581571 639813991 /nfs/dbraw/zinc/81/39/91/639813991.db2.gz VRLVLPKHBSVJSY-UHFFFAOYSA-N 0 3 246.301 3.104 20 0 BGADHN CC(F)(F)CCCN1CCC[C@](C)(F)C1 ZINC000930593760 639815262 /nfs/dbraw/zinc/81/52/62/639815262.db2.gz DUTYRYDFJXNFTB-JTQLQIEISA-N 0 3 223.282 3.246 20 0 BGADHN CC(F)(F)CCCN1CCC[C@@](C)(F)C1 ZINC000930593761 639815432 /nfs/dbraw/zinc/81/54/32/639815432.db2.gz DUTYRYDFJXNFTB-SNVBAGLBSA-N 0 3 223.282 3.246 20 0 BGADHN C[C@]1(F)CCCN(C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000930596513 633922875 /nfs/dbraw/zinc/92/28/75/633922875.db2.gz VRWXLODNMVUHJA-USZNOCQGSA-N 0 3 247.304 3.102 20 0 BGADHN C[C@@]1(F)CCCN(C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000930596522 633923214 /nfs/dbraw/zinc/92/32/14/633923214.db2.gz VRWXLODNMVUHJA-WRWGMCAJSA-N 0 3 247.304 3.102 20 0 BGADHN CCC1(NCc2c(F)cncc2F)CCCC1 ZINC000930608421 639819424 /nfs/dbraw/zinc/81/94/24/639819424.db2.gz OTXIPJKJOSHEAD-UHFFFAOYSA-N 0 3 240.297 3.172 20 0 BGADHN C[C@H](c1ncccn1)N1CCCCCCCC1 ZINC000930648963 639843326 /nfs/dbraw/zinc/84/33/26/639843326.db2.gz ZODSFMDTTPLKNQ-CYBMUJFWSA-N 0 3 233.359 3.194 20 0 BGADHN C[C@@H](c1ncccn1)N1CCCCCCCC1 ZINC000930648964 639843547 /nfs/dbraw/zinc/84/35/47/639843547.db2.gz ZODSFMDTTPLKNQ-ZDUSSCGKSA-N 0 3 233.359 3.194 20 0 BGADHN C[C@@H](NCc1c(F)cncc1F)C1CCCC1 ZINC000930661226 639850388 /nfs/dbraw/zinc/85/03/88/639850388.db2.gz WIQMEGXGRUBCTG-SECBINFHSA-N 0 3 240.297 3.028 20 0 BGADHN C[C@H](N[C@@H](C)[C@H]1CCC[C@@H](C)C1)c1ncccn1 ZINC000930666970 639854679 /nfs/dbraw/zinc/85/46/79/639854679.db2.gz MBNGIKLKLVFREM-RFGFWPKPSA-N 0 3 247.386 3.342 20 0 BGADHN C[C@@H](N[C@@H](C)[C@H]1CCC[C@@H](C)C1)c1ncccn1 ZINC000930666971 639854240 /nfs/dbraw/zinc/85/42/40/639854240.db2.gz MBNGIKLKLVFREM-RQJABVFESA-N 0 3 247.386 3.342 20 0 BGADHN C[C@@H](N[C@@H](C)[C@@H]1CCC[C@@H](C)C1)c1ncccn1 ZINC000930666972 639853910 /nfs/dbraw/zinc/85/39/10/639853910.db2.gz MBNGIKLKLVFREM-XJFOESAGSA-N 0 3 247.386 3.342 20 0 BGADHN C[C@H](N[C@@H](C)[C@@H]1CCC[C@@H](C)C1)c1ncccn1 ZINC000930666973 639854362 /nfs/dbraw/zinc/85/43/62/639854362.db2.gz MBNGIKLKLVFREM-ZOBORPQBSA-N 0 3 247.386 3.342 20 0 BGADHN C[C@H](NCc1c(F)cncc1F)C1CCCC1 ZINC000930668209 639853877 /nfs/dbraw/zinc/85/38/77/639853877.db2.gz WIQMEGXGRUBCTG-VIFPVBQESA-N 0 3 240.297 3.028 20 0 BGADHN CCc1onc(C)c1CN(C)C1CC(C)(C)C1 ZINC000930700499 634048835 /nfs/dbraw/zinc/04/88/35/634048835.db2.gz GUDKFZLRVUDSNT-UHFFFAOYSA-N 0 3 236.359 3.166 20 0 BGADHN CCC[C@H](N[C@@H](C)c1ncccn1)C1CCC1 ZINC000930702310 639867295 /nfs/dbraw/zinc/86/72/95/639867295.db2.gz CIUDSQFTEVBCFV-AAEUAGOBSA-N 0 3 233.359 3.096 20 0 BGADHN CCC[C@@H](N[C@H](C)c1ncccn1)C1CCC1 ZINC000930702311 639868166 /nfs/dbraw/zinc/86/81/66/639868166.db2.gz CIUDSQFTEVBCFV-DGCLKSJQSA-N 0 3 233.359 3.096 20 0 BGADHN CCC[C@@H](N[C@@H](C)c1ncccn1)C1CCC1 ZINC000930702312 639868576 /nfs/dbraw/zinc/86/85/76/639868576.db2.gz CIUDSQFTEVBCFV-WCQYABFASA-N 0 3 233.359 3.096 20 0 BGADHN CCC[C@H](N[C@H](C)c1ncccn1)C1CCC1 ZINC000930702313 639870029 /nfs/dbraw/zinc/87/00/29/639870029.db2.gz CIUDSQFTEVBCFV-YPMHNXCESA-N 0 3 233.359 3.096 20 0 BGADHN CC(C)(C)c1nc(CN[C@@H]2CCC[C@@H]3C[C@@H]32)co1 ZINC000930706348 639873666 /nfs/dbraw/zinc/87/36/66/639873666.db2.gz XSZJTCIXTOZTRC-KGYLQXTDSA-N 0 3 248.370 3.250 20 0 BGADHN CC(C)(C)c1nc(CN[C@H]2CCC[C@@H]3C[C@@H]32)co1 ZINC000930706349 639872579 /nfs/dbraw/zinc/87/25/79/639872579.db2.gz XSZJTCIXTOZTRC-WXHSDQCUSA-N 0 3 248.370 3.250 20 0 BGADHN Cc1nnsc1[C@@H](C)N1CC(C)(C)C[C@H]1C ZINC000930721728 634068467 /nfs/dbraw/zinc/06/84/67/634068467.db2.gz JXLWOMVQKXOOLZ-PSASIEDQSA-N 0 3 239.388 3.028 20 0 BGADHN Cc1nnsc1[C@H](C)N1CC(C)(C)C[C@H]1C ZINC000930721729 634068891 /nfs/dbraw/zinc/06/88/91/634068891.db2.gz JXLWOMVQKXOOLZ-SCZZXKLOSA-N 0 3 239.388 3.028 20 0 BGADHN Cc1nnsc1[C@@H](C)N1CC(C)(C)C[C@@H]1C ZINC000930721730 634068859 /nfs/dbraw/zinc/06/88/59/634068859.db2.gz JXLWOMVQKXOOLZ-WCBMZHEXSA-N 0 3 239.388 3.028 20 0 BGADHN Cc1nnsc1[C@H](C)N1CC(C)(C)C[C@@H]1C ZINC000930721731 634068573 /nfs/dbraw/zinc/06/85/73/634068573.db2.gz JXLWOMVQKXOOLZ-WPRPVWTQSA-N 0 3 239.388 3.028 20 0 BGADHN C[C@H](c1ccc(F)nc1)N1CC(C)(C)C[C@H]1C ZINC000930723340 639880445 /nfs/dbraw/zinc/88/04/45/639880445.db2.gz ZXGMGJZYLKIRRO-GHMZBOCLSA-N 0 3 236.334 3.402 20 0 BGADHN C[C@@H](c1ccc(F)nc1)N1CC(C)(C)C[C@H]1C ZINC000930723341 639879407 /nfs/dbraw/zinc/87/94/07/639879407.db2.gz ZXGMGJZYLKIRRO-MNOVXSKESA-N 0 3 236.334 3.402 20 0 BGADHN C[C@@H](c1ccc(F)nc1)N1CC(C)(C)C[C@@H]1C ZINC000930723342 639878857 /nfs/dbraw/zinc/87/88/57/639878857.db2.gz ZXGMGJZYLKIRRO-QWRGUYRKSA-N 0 3 236.334 3.402 20 0 BGADHN C[C@H](c1ccc(F)nc1)N1CC(C)(C)C[C@@H]1C ZINC000930723343 639880075 /nfs/dbraw/zinc/88/00/75/639880075.db2.gz ZXGMGJZYLKIRRO-WDEREUQCSA-N 0 3 236.334 3.402 20 0 BGADHN CCc1ncc(CN(CC)C2CC(C)(C)C2)o1 ZINC000930730813 639881547 /nfs/dbraw/zinc/88/15/47/639881547.db2.gz SWPICPDXTKONNH-UHFFFAOYSA-N 0 3 236.359 3.248 20 0 BGADHN C[C@@H](c1ncccn1)N1CC[C@@H](C2CCCC2)C1 ZINC000930746588 639894276 /nfs/dbraw/zinc/89/42/76/639894276.db2.gz GYTXWBJLGWTGBN-GXTWGEPZSA-N 0 3 245.370 3.050 20 0 BGADHN C[C@@H](c1ncccn1)N1CC[C@H](C2CCCC2)C1 ZINC000930746589 639893398 /nfs/dbraw/zinc/89/33/98/639893398.db2.gz GYTXWBJLGWTGBN-JSGCOSHPSA-N 0 3 245.370 3.050 20 0 BGADHN C[C@H](c1ncccn1)N1CC[C@H](C2CCCC2)C1 ZINC000930746590 639893516 /nfs/dbraw/zinc/89/35/16/639893516.db2.gz GYTXWBJLGWTGBN-OCCSQVGLSA-N 0 3 245.370 3.050 20 0 BGADHN C[C@H](c1ncccn1)N1CC[C@@H](C2CCCC2)C1 ZINC000930746591 639894194 /nfs/dbraw/zinc/89/41/94/639894194.db2.gz GYTXWBJLGWTGBN-TZMCWYRMSA-N 0 3 245.370 3.050 20 0 BGADHN CC[C@H]1CN(CCCC(C)(F)F)C[C@H](CC)O1 ZINC000930748707 639894309 /nfs/dbraw/zinc/89/43/09/639894309.db2.gz OTKZTDHCTNSPSE-RYUDHWBXSA-N 0 3 249.345 3.311 20 0 BGADHN CC[C@@H]1CN(CCCC(C)(F)F)C[C@H](CC)O1 ZINC000930748708 639893941 /nfs/dbraw/zinc/89/39/41/639893941.db2.gz OTKZTDHCTNSPSE-TXEJJXNPSA-N 0 3 249.345 3.311 20 0 BGADHN CC[C@@H]1CN(CCCC(C)(F)F)C[C@@H](CC)O1 ZINC000930748711 639893788 /nfs/dbraw/zinc/89/37/88/639893788.db2.gz OTKZTDHCTNSPSE-VXGBXAGGSA-N 0 3 249.345 3.311 20 0 BGADHN CCc1ncc(CN(C)CCC(C)(C)C)o1 ZINC000930818110 639920077 /nfs/dbraw/zinc/92/00/77/639920077.db2.gz CNFWCSKVVKQTEU-UHFFFAOYSA-N 0 3 224.348 3.105 20 0 BGADHN CCc1onc(C)c1CN(C)CCC(C)(C)C ZINC000930818924 639922473 /nfs/dbraw/zinc/92/24/73/639922473.db2.gz QGXAETCPEYKJQL-UHFFFAOYSA-N 0 3 238.375 3.413 20 0 BGADHN C[C@@H]1CN(CCCC(C)(F)F)CC2(CCC2)O1 ZINC000930825865 634125373 /nfs/dbraw/zinc/12/53/73/634125373.db2.gz NTTBABMXEVRRRX-LLVKDONJSA-N 0 3 247.329 3.065 20 0 BGADHN C[C@H]1CN(CCCC(C)(F)F)CC2(CCC2)O1 ZINC000930825866 634126085 /nfs/dbraw/zinc/12/60/85/634126085.db2.gz NTTBABMXEVRRRX-NSHDSACASA-N 0 3 247.329 3.065 20 0 BGADHN C[C@@H]1C[C@H](CN2CCC=C(Cl)C2)C[C@H](C)O1 ZINC000930843391 639939990 /nfs/dbraw/zinc/93/99/90/639939990.db2.gz UFJCUAOKRFKLEW-GDNZZTSVSA-N 0 3 243.778 3.018 20 0 BGADHN CCc1onc(C)c1CN1CCC12CCCC2 ZINC000930845533 639941656 /nfs/dbraw/zinc/94/16/56/639941656.db2.gz NPZGNQJHEJILMS-UHFFFAOYSA-N 0 3 234.343 3.064 20 0 BGADHN CC[C@@H]1COC(C)(C)CN1CCCC(C)(F)F ZINC000930849321 639943725 /nfs/dbraw/zinc/94/37/25/639943725.db2.gz QCYNVJVDFKEAJN-LLVKDONJSA-N 0 3 249.345 3.311 20 0 BGADHN CC[C@H]1COC(C)(C)CN1CCCC(C)(F)F ZINC000930849322 639944400 /nfs/dbraw/zinc/94/44/00/639944400.db2.gz QCYNVJVDFKEAJN-NSHDSACASA-N 0 3 249.345 3.311 20 0 BGADHN CC[C@@H]1CO[C@@H](CC)CN1CCCC(C)(F)F ZINC000930853577 639949944 /nfs/dbraw/zinc/94/99/44/639949944.db2.gz UDZRYEMWJDVFAM-NEPJUHHUSA-N 0 3 249.345 3.311 20 0 BGADHN CC[C@@H]1CN(CCCC(C)(F)F)[C@@H](CC)CO1 ZINC000930853578 639933452 /nfs/dbraw/zinc/93/34/52/639933452.db2.gz UDZRYEMWJDVFAM-NWDGAFQWSA-N 0 3 249.345 3.311 20 0 BGADHN CC[C@H]1CN(CCCC(C)(F)F)[C@@H](CC)CO1 ZINC000930853579 639934685 /nfs/dbraw/zinc/93/46/85/639934685.db2.gz UDZRYEMWJDVFAM-RYUDHWBXSA-N 0 3 249.345 3.311 20 0 BGADHN CC[C@@H]1CN(CCCC(C)(F)F)[C@H](CC)CO1 ZINC000930853580 639935955 /nfs/dbraw/zinc/93/59/55/639935955.db2.gz UDZRYEMWJDVFAM-VXGBXAGGSA-N 0 3 249.345 3.311 20 0 BGADHN Cc1cc(C)nc(CN2C[C@@H]3CCCC[C@@H]32)c1 ZINC000930894448 639977404 /nfs/dbraw/zinc/97/74/04/639977404.db2.gz LBIPGBSDZMJRHD-ZFWWWQNUSA-N 0 3 230.355 3.073 20 0 BGADHN COC/C(C)=C\CN1CCC(c2ccco2)CC1 ZINC000930923495 639990191 /nfs/dbraw/zinc/99/01/91/639990191.db2.gz IVSHENGGMOKVQK-ACAGNQJTSA-N 0 3 249.354 3.052 20 0 BGADHN COC/C(C)=C/CN1CCC(c2ccco2)CC1 ZINC000930923496 639990466 /nfs/dbraw/zinc/99/04/66/639990466.db2.gz IVSHENGGMOKVQK-WLRTZDKTSA-N 0 3 249.354 3.052 20 0 BGADHN CC[C@H](C)N(CC)Cc1cnc(C2CC2)o1 ZINC000930925862 639992354 /nfs/dbraw/zinc/99/23/54/639992354.db2.gz ZXCVTISCYSMRLY-JTQLQIEISA-N 0 3 222.332 3.172 20 0 BGADHN CC[C@@H](C)N(CC)Cc1cnc(C2CC2)o1 ZINC000930925863 639993080 /nfs/dbraw/zinc/99/30/80/639993080.db2.gz ZXCVTISCYSMRLY-SNVBAGLBSA-N 0 3 222.332 3.172 20 0 BGADHN CCC(C)(C)[C@@H](C)NCc1c(F)cncc1F ZINC000930930636 639991872 /nfs/dbraw/zinc/99/18/72/639991872.db2.gz KIMNQHXBMQIGEH-SECBINFHSA-N 0 3 242.313 3.274 20 0 BGADHN CCC(C)(C)[C@H](C)NCc1c(F)cncc1F ZINC000930930637 639993489 /nfs/dbraw/zinc/99/34/89/639993489.db2.gz KIMNQHXBMQIGEH-VIFPVBQESA-N 0 3 242.313 3.274 20 0 BGADHN Cc1nc(C)c(CN2CCC(C3CCC3)CC2)[nH]1 ZINC000930962796 640001165 /nfs/dbraw/zinc/00/11/65/640001165.db2.gz QCLQDSPJQICICC-UHFFFAOYSA-N 0 3 247.386 3.039 20 0 BGADHN C[C@@H]1COC2(CCC2)CN1CCCC(C)(F)F ZINC000930967720 640004161 /nfs/dbraw/zinc/00/41/61/640004161.db2.gz MGSBSVVNDAGEMQ-LLVKDONJSA-N 0 3 247.329 3.065 20 0 BGADHN C[C@H]1COC2(CCC2)CN1CCCC(C)(F)F ZINC000930967721 640005400 /nfs/dbraw/zinc/00/54/00/640005400.db2.gz MGSBSVVNDAGEMQ-NSHDSACASA-N 0 3 247.329 3.065 20 0 BGADHN CC[C@@H](NCc1coc(C(C)(C)C)n1)C1CC1 ZINC000931016485 640021656 /nfs/dbraw/zinc/02/16/56/640021656.db2.gz DWFBZKWCURMYGN-GFCCVEGCSA-N 0 3 236.359 3.250 20 0 BGADHN CC[C@H](NCc1coc(C(C)(C)C)n1)C1CC1 ZINC000931016486 640022318 /nfs/dbraw/zinc/02/23/18/640022318.db2.gz DWFBZKWCURMYGN-LBPRGKRZSA-N 0 3 236.359 3.250 20 0 BGADHN CCc1ncc(CN2CCC[C@@H](C3CCC3)C2)o1 ZINC000931060533 640046977 /nfs/dbraw/zinc/04/69/77/640046977.db2.gz VGIAPZVZEDFUGN-CYBMUJFWSA-N 0 3 248.370 3.249 20 0 BGADHN CCc1ncc(CN2CCC[C@H](C3CCC3)C2)o1 ZINC000931060534 640047329 /nfs/dbraw/zinc/04/73/29/640047329.db2.gz VGIAPZVZEDFUGN-ZDUSSCGKSA-N 0 3 248.370 3.249 20 0 BGADHN Cc1nnsc1[C@@H](C)NC1(CC(C)C)CC1 ZINC000931060966 640048497 /nfs/dbraw/zinc/04/84/97/640048497.db2.gz ADDLVUSRCKTMCE-SECBINFHSA-N 0 3 239.388 3.076 20 0 BGADHN Cc1nnsc1[C@H](C)NC1(CC(C)C)CC1 ZINC000931060967 640047783 /nfs/dbraw/zinc/04/77/83/640047783.db2.gz ADDLVUSRCKTMCE-VIFPVBQESA-N 0 3 239.388 3.076 20 0 BGADHN CCc1onc(C)c1CNC1(CC(C)C)CC1 ZINC000931061189 640046943 /nfs/dbraw/zinc/04/69/43/640046943.db2.gz DITUKHZUZPSSBM-UHFFFAOYSA-N 0 3 236.359 3.214 20 0 BGADHN C[C@H](c1ncccn1)N(CCC1CC1)CC1CC1 ZINC000931068629 640056744 /nfs/dbraw/zinc/05/67/44/640056744.db2.gz JGNDRXNCQRKTSM-GFCCVEGCSA-N 0 3 245.370 3.050 20 0 BGADHN C[C@@H](c1ncccn1)N(CCC1CC1)CC1CC1 ZINC000931068630 640056848 /nfs/dbraw/zinc/05/68/48/640056848.db2.gz JGNDRXNCQRKTSM-LBPRGKRZSA-N 0 3 245.370 3.050 20 0 BGADHN CCc1onc(C)c1CN(C)C[C@H]1CC1(C)C ZINC000931080766 640062804 /nfs/dbraw/zinc/06/28/04/640062804.db2.gz FQZGEXYNWPKRME-LLVKDONJSA-N 0 3 236.359 3.023 20 0 BGADHN CCc1onc(C)c1CN(C)C[C@@H]1CC1(C)C ZINC000931080767 640061212 /nfs/dbraw/zinc/06/12/12/640061212.db2.gz FQZGEXYNWPKRME-NSHDSACASA-N 0 3 236.359 3.023 20 0 BGADHN CCc1ncc(CN2C[C@@H]3CCCC[C@@]32C)o1 ZINC000931332359 640159734 /nfs/dbraw/zinc/15/97/34/640159734.db2.gz NTTQFYXCZHCXFD-FZMZJTMJSA-N 0 3 234.343 3.002 20 0 BGADHN C[C@]12CCCC[C@H]1CN2Cc1cnc(C2CC2)o1 ZINC000931333458 640163125 /nfs/dbraw/zinc/16/31/25/640163125.db2.gz WQXQMWYLMXCSJR-WFASDCNBSA-N 0 3 246.354 3.317 20 0 BGADHN C/C=C\C[C@H]1CCCN(Cc2cnc(CC)o2)C1 ZINC000931337457 634359714 /nfs/dbraw/zinc/35/97/14/634359714.db2.gz KCOMUGOJBLHDSO-DXTPNHAXSA-N 0 3 248.370 3.415 20 0 BGADHN C/C=C\C[C@@H]1CCCN(Cc2cnc(CC)o2)C1 ZINC000931337458 634361161 /nfs/dbraw/zinc/36/11/61/634361161.db2.gz KCOMUGOJBLHDSO-HSBHDXMMSA-N 0 3 248.370 3.415 20 0 BGADHN C/C=C/C[C@H]1CCCN(Cc2cnc(CC)o2)C1 ZINC000931337459 634359762 /nfs/dbraw/zinc/35/97/62/634359762.db2.gz KCOMUGOJBLHDSO-LQPUYASZSA-N 0 3 248.370 3.415 20 0 BGADHN C/C=C/C[C@@H]1CCCN(Cc2cnc(CC)o2)C1 ZINC000931337460 634361233 /nfs/dbraw/zinc/36/12/33/634361233.db2.gz KCOMUGOJBLHDSO-MASHWEEQSA-N 0 3 248.370 3.415 20 0 BGADHN CCC(C)(C)CCN1Cc2c[nH]nc2[C@H](C)C1 ZINC000931458617 640215722 /nfs/dbraw/zinc/21/57/22/640215722.db2.gz IYKDEDZGUUYFKS-LLVKDONJSA-N 0 3 235.375 3.155 20 0 BGADHN CCC(C)(C)CCN1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931458621 640215808 /nfs/dbraw/zinc/21/58/08/640215808.db2.gz IYKDEDZGUUYFKS-NSHDSACASA-N 0 3 235.375 3.155 20 0 BGADHN C[C@@H]1CN(CCC(C)(C)C2CC2)Cc2c[nH]nc21 ZINC000931462181 640222216 /nfs/dbraw/zinc/22/22/16/640222216.db2.gz KKONXTPVGWAAOZ-LLVKDONJSA-N 0 3 247.386 3.155 20 0 BGADHN C[C@H]1CN(CCC(C)(C)C2CC2)Cc2c[nH]nc21 ZINC000931462182 711720993 /nfs/dbraw/zinc/72/09/93/711720993.db2.gz KKONXTPVGWAAOZ-NSHDSACASA-N 0 3 247.386 3.155 20 0 BGADHN C[C@@H]1CN(CCC2=CCCCC2)Cc2c[nH]nc21 ZINC000931462413 711723546 /nfs/dbraw/zinc/72/35/46/711723546.db2.gz PWTCNRXFXOUWDH-GFCCVEGCSA-N 0 3 245.370 3.219 20 0 BGADHN C[C@H]1CN(CCC2=CCCCC2)Cc2c[nH]nc21 ZINC000931462414 711723528 /nfs/dbraw/zinc/72/35/28/711723528.db2.gz PWTCNRXFXOUWDH-LBPRGKRZSA-N 0 3 245.370 3.219 20 0 BGADHN CC(C)C[C@@H](C)CN1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931463366 640222781 /nfs/dbraw/zinc/22/27/81/640222781.db2.gz VBEXQSMVOWXHLV-NEPJUHHUSA-N 0 3 235.375 3.011 20 0 BGADHN CC(C)C[C@H](C)CN1Cc2c[nH]nc2[C@H](C)C1 ZINC000931463367 640224162 /nfs/dbraw/zinc/22/41/62/640224162.db2.gz VBEXQSMVOWXHLV-NWDGAFQWSA-N 0 3 235.375 3.011 20 0 BGADHN CC(C)C[C@H](C)CN1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931463368 640223290 /nfs/dbraw/zinc/22/32/90/640223290.db2.gz VBEXQSMVOWXHLV-RYUDHWBXSA-N 0 3 235.375 3.011 20 0 BGADHN CC(C)C[C@@H](C)CN1Cc2c[nH]nc2[C@H](C)C1 ZINC000931463369 640224894 /nfs/dbraw/zinc/22/48/94/640224894.db2.gz VBEXQSMVOWXHLV-VXGBXAGGSA-N 0 3 235.375 3.011 20 0 BGADHN C[C@H](CN1Cc2c[nH]nc2[C@H](C)C1)C(C)(C)C ZINC000931466807 640227280 /nfs/dbraw/zinc/22/72/80/640227280.db2.gz MCFURLHOGVQZML-GHMZBOCLSA-N 0 3 235.375 3.011 20 0 BGADHN C[C@@H](CN1Cc2c[nH]nc2[C@H](C)C1)C(C)(C)C ZINC000931466808 640225516 /nfs/dbraw/zinc/22/55/16/640225516.db2.gz MCFURLHOGVQZML-MNOVXSKESA-N 0 3 235.375 3.011 20 0 BGADHN C[C@@H](CN1Cc2c[nH]nc2[C@@H](C)C1)C(C)(C)C ZINC000931466809 634462236 /nfs/dbraw/zinc/46/22/36/634462236.db2.gz MCFURLHOGVQZML-QWRGUYRKSA-N 0 3 235.375 3.011 20 0 BGADHN C[C@H](CN1Cc2c[nH]nc2[C@@H](C)C1)C(C)(C)C ZINC000931466810 634462052 /nfs/dbraw/zinc/46/20/52/634462052.db2.gz MCFURLHOGVQZML-WDEREUQCSA-N 0 3 235.375 3.011 20 0 BGADHN Cc1cc(C)nc(CN2CCC(C)(F)CC2)c1 ZINC000931501865 640235540 /nfs/dbraw/zinc/23/55/40/640235540.db2.gz GITYKTUVGQCVAH-UHFFFAOYSA-N 0 3 236.334 3.022 20 0 BGADHN CCc1ncc(CN(C)C[C@@H](C)C(C)(C)C)o1 ZINC000931616389 640290772 /nfs/dbraw/zinc/29/07/72/640290772.db2.gz SHNUACUFUKURCU-LLVKDONJSA-N 0 3 238.375 3.351 20 0 BGADHN CCc1ncc(CN(C)C[C@H](C)C(C)(C)C)o1 ZINC000931616390 640290647 /nfs/dbraw/zinc/29/06/47/640290647.db2.gz SHNUACUFUKURCU-NSHDSACASA-N 0 3 238.375 3.351 20 0 BGADHN FCc1ccccc1CN1CCC(F)CC1 ZINC000931685166 640316907 /nfs/dbraw/zinc/31/69/07/640316907.db2.gz DBBHAVKVVMVBSH-UHFFFAOYSA-N 0 3 225.282 3.090 20 0 BGADHN CN(CCCF)Cc1cnc(-c2ccccc2)o1 ZINC000931764448 640356874 /nfs/dbraw/zinc/35/68/74/640356874.db2.gz PSEBVCOCHRGCOA-UHFFFAOYSA-N 0 3 248.301 3.133 20 0 BGADHN CC(=O)CN[C@H]1CCc2cccc3cccc1c32 ZINC000931808464 640373345 /nfs/dbraw/zinc/37/33/45/640373345.db2.gz GLNJKYWMWOOGNB-HNNXBMFYSA-N 0 3 239.318 3.006 20 0 BGADHN CC(=O)CN[C@@H]1CCc2cccc3cccc1c32 ZINC000931808469 640373268 /nfs/dbraw/zinc/37/32/68/640373268.db2.gz GLNJKYWMWOOGNB-OAHLLOKOSA-N 0 3 239.318 3.006 20 0 BGADHN Cc1cnc([C@@H](C)N2CC[C@@H](C)C[C@@H](C)C2)o1 ZINC000932123177 640432725 /nfs/dbraw/zinc/43/27/25/640432725.db2.gz GXJGAUBOQXIJAI-NQBHXWOUSA-N 0 3 236.359 3.412 20 0 BGADHN CC(C)(C)OC[C@H]1CCCN1C/C=C\Cl ZINC000932165107 640445040 /nfs/dbraw/zinc/44/50/40/640445040.db2.gz YODIRKCDODWZMK-JPVGGKMYSA-N 0 3 231.767 3.018 20 0 BGADHN CC(C)(C)OC[C@H]1CCCN1C/C=C/Cl ZINC000932165108 640444325 /nfs/dbraw/zinc/44/43/25/640444325.db2.gz YODIRKCDODWZMK-OKPNEXGHSA-N 0 3 231.767 3.018 20 0 BGADHN CC(C)(C)OC[C@@H]1CCCN1C/C=C\Cl ZINC000932172918 640446863 /nfs/dbraw/zinc/44/68/63/640446863.db2.gz YODIRKCDODWZMK-XOIDGJRKSA-N 0 3 231.767 3.018 20 0 BGADHN CC(C)(C)OC[C@@H]1CCCN1C/C=C/Cl ZINC000932172919 640448574 /nfs/dbraw/zinc/44/85/74/640448574.db2.gz YODIRKCDODWZMK-ZRQQLDRUSA-N 0 3 231.767 3.018 20 0 BGADHN C[C@@H]1CCN(Cc2cc3ccccc3o2)CCO1 ZINC000932344860 640488938 /nfs/dbraw/zinc/48/89/38/640488938.db2.gz DKBSSYBFLWJERN-GFCCVEGCSA-N 0 3 245.322 3.044 20 0 BGADHN C[C@H]1CCN(Cc2cc3ccccc3o2)CCO1 ZINC000932344911 640486908 /nfs/dbraw/zinc/48/69/08/640486908.db2.gz DKBSSYBFLWJERN-LBPRGKRZSA-N 0 3 245.322 3.044 20 0 BGADHN C[C@@H](CN[C@H](c1ncccn1)C1CC1)C(C)(C)C ZINC000932352796 640495890 /nfs/dbraw/zinc/49/58/90/640495890.db2.gz FDPNUTPDDXDWFY-AAEUAGOBSA-N 0 3 247.386 3.200 20 0 BGADHN C[C@H](CN[C@@H](c1ncccn1)C1CC1)C(C)(C)C ZINC000932352797 640496654 /nfs/dbraw/zinc/49/66/54/640496654.db2.gz FDPNUTPDDXDWFY-DGCLKSJQSA-N 0 3 247.386 3.200 20 0 BGADHN C[C@@H](CN[C@@H](c1ncccn1)C1CC1)C(C)(C)C ZINC000932352798 640495934 /nfs/dbraw/zinc/49/59/34/640495934.db2.gz FDPNUTPDDXDWFY-WCQYABFASA-N 0 3 247.386 3.200 20 0 BGADHN C[C@H](CN[C@H](c1ncccn1)C1CC1)C(C)(C)C ZINC000932352799 640497481 /nfs/dbraw/zinc/49/74/81/640497481.db2.gz FDPNUTPDDXDWFY-YPMHNXCESA-N 0 3 247.386 3.200 20 0 BGADHN CCC(C)(C)CCN[C@@H](c1ncccn1)C1CC1 ZINC000932353103 640495799 /nfs/dbraw/zinc/49/57/99/640495799.db2.gz JBWKECJCASEXOO-CYBMUJFWSA-N 0 3 247.386 3.344 20 0 BGADHN CCC(C)(C)CCN[C@H](c1ncccn1)C1CC1 ZINC000932353104 640495598 /nfs/dbraw/zinc/49/55/98/640495598.db2.gz JBWKECJCASEXOO-ZDUSSCGKSA-N 0 3 247.386 3.344 20 0 BGADHN c1cnc([C@@H](NCCCC2CCC2)C2CC2)nc1 ZINC000932354234 640497522 /nfs/dbraw/zinc/49/75/22/640497522.db2.gz RONLYVBKZICOAI-AWEZNQCLSA-N 0 3 245.370 3.098 20 0 BGADHN c1cnc([C@H](NCCCC2CCC2)C2CC2)nc1 ZINC000932354235 640496019 /nfs/dbraw/zinc/49/60/19/640496019.db2.gz RONLYVBKZICOAI-CQSZACIVSA-N 0 3 245.370 3.098 20 0 BGADHN CC(C)C[C@H](C)CN[C@@H](c1ncccn1)C1CC1 ZINC000932355140 640497360 /nfs/dbraw/zinc/49/73/60/640497360.db2.gz QGGGOWGCLUHTIZ-GXTWGEPZSA-N 0 3 247.386 3.200 20 0 BGADHN CC(C)C[C@H](C)CN[C@H](c1ncccn1)C1CC1 ZINC000932355142 640495582 /nfs/dbraw/zinc/49/55/82/640495582.db2.gz QGGGOWGCLUHTIZ-JSGCOSHPSA-N 0 3 247.386 3.200 20 0 BGADHN CC(C)C[C@@H](C)CN[C@H](c1ncccn1)C1CC1 ZINC000932355143 640496817 /nfs/dbraw/zinc/49/68/17/640496817.db2.gz QGGGOWGCLUHTIZ-OCCSQVGLSA-N 0 3 247.386 3.200 20 0 BGADHN CC(C)C[C@@H](C)CN[C@@H](c1ncccn1)C1CC1 ZINC000932355145 640495767 /nfs/dbraw/zinc/49/57/67/640495767.db2.gz QGGGOWGCLUHTIZ-TZMCWYRMSA-N 0 3 247.386 3.200 20 0 BGADHN CC(C)(C)CCCN[C@@H](c1ncccn1)C1CC1 ZINC000932355534 640496224 /nfs/dbraw/zinc/49/62/24/640496224.db2.gz VVJOWEIKUJFZSQ-CYBMUJFWSA-N 0 3 247.386 3.344 20 0 BGADHN CC(C)(C)CCCN[C@H](c1ncccn1)C1CC1 ZINC000932355535 640497414 /nfs/dbraw/zinc/49/74/14/640497414.db2.gz VVJOWEIKUJFZSQ-ZDUSSCGKSA-N 0 3 247.386 3.344 20 0 BGADHN CCCCCCN[C@@H](c1ncccn1)C1CC1 ZINC000932359629 640499034 /nfs/dbraw/zinc/49/90/34/640499034.db2.gz HGDZFRJHHGBOGL-CYBMUJFWSA-N 0 3 233.359 3.098 20 0 BGADHN CCCCCCN[C@H](c1ncccn1)C1CC1 ZINC000932359630 640498844 /nfs/dbraw/zinc/49/88/44/640498844.db2.gz HGDZFRJHHGBOGL-ZDUSSCGKSA-N 0 3 233.359 3.098 20 0 BGADHN c1cnc([C@@H](NCCC2CCCC2)C2CC2)nc1 ZINC000932361135 640499845 /nfs/dbraw/zinc/49/98/45/640499845.db2.gz SJDNNPBHWXGOCM-AWEZNQCLSA-N 0 3 245.370 3.098 20 0 BGADHN c1cnc([C@H](NCCC2CCCC2)C2CC2)nc1 ZINC000932361137 640497724 /nfs/dbraw/zinc/49/77/24/640497724.db2.gz SJDNNPBHWXGOCM-CQSZACIVSA-N 0 3 245.370 3.098 20 0 BGADHN FC(F)(F)CCN[C@@H](c1ccccn1)C1CC1 ZINC000932379382 640506348 /nfs/dbraw/zinc/50/63/48/640506348.db2.gz PMXZXHUNSVSJTK-LLVKDONJSA-N 0 3 244.260 3.075 20 0 BGADHN FC(F)(F)CCN[C@H](c1ccccn1)C1CC1 ZINC000932379384 640505408 /nfs/dbraw/zinc/50/54/08/640505408.db2.gz PMXZXHUNSVSJTK-NSHDSACASA-N 0 3 244.260 3.075 20 0 BGADHN c1ccc([C@H](N[C@H]2C=CCCC2)C2CC2)nc1 ZINC000932382398 640508070 /nfs/dbraw/zinc/50/80/70/640508070.db2.gz RVCFKRSYHUTAQU-DZGCQCFKSA-N 0 3 228.339 3.231 20 0 BGADHN c1ccc([C@@H](N[C@@H]2C=CCCC2)C2CC2)nc1 ZINC000932382400 640508091 /nfs/dbraw/zinc/50/80/91/640508091.db2.gz RVCFKRSYHUTAQU-HIFRSBDPSA-N 0 3 228.339 3.231 20 0 BGADHN c1ccc([C@H](N[C@@H]2C=CCCC2)C2CC2)nc1 ZINC000932382401 640508830 /nfs/dbraw/zinc/50/88/30/640508830.db2.gz RVCFKRSYHUTAQU-UKRRQHHQSA-N 0 3 228.339 3.231 20 0 BGADHN c1ccc([C@@H](N[C@H]2C=CCCC2)C2CC2)nc1 ZINC000932382403 640507524 /nfs/dbraw/zinc/50/75/24/640507524.db2.gz RVCFKRSYHUTAQU-ZFWWWQNUSA-N 0 3 228.339 3.231 20 0 BGADHN CC(F)(F)CCN[C@@H](c1ccccn1)C1CC1 ZINC000932384221 640511818 /nfs/dbraw/zinc/51/18/18/640511818.db2.gz HCPOLTXWUHRBFI-GFCCVEGCSA-N 0 3 240.297 3.168 20 0 BGADHN CC(F)(F)CCN[C@H](c1ccccn1)C1CC1 ZINC000932384222 640511147 /nfs/dbraw/zinc/51/11/47/640511147.db2.gz HCPOLTXWUHRBFI-LBPRGKRZSA-N 0 3 240.297 3.168 20 0 BGADHN C1=C(CN[C@H](c2ccccn2)C2CC2)CCC1 ZINC000932386085 640514387 /nfs/dbraw/zinc/51/43/87/640514387.db2.gz NLSJTRYTRRFREI-HNNXBMFYSA-N 0 3 228.339 3.233 20 0 BGADHN C1=C(CN[C@@H](c2ccccn2)C2CC2)CCC1 ZINC000932386087 640512785 /nfs/dbraw/zinc/51/27/85/640512785.db2.gz NLSJTRYTRRFREI-OAHLLOKOSA-N 0 3 228.339 3.233 20 0 BGADHN CC/C=C/CN[C@H](c1ccccn1)C1CC1 ZINC000932386269 640513327 /nfs/dbraw/zinc/51/33/27/640513327.db2.gz OJUPOYKOHXJAIJ-KQIUPUNMSA-N 0 3 216.328 3.089 20 0 BGADHN CC/C=C/CN[C@@H](c1ccccn1)C1CC1 ZINC000932386270 640513180 /nfs/dbraw/zinc/51/31/80/640513180.db2.gz OJUPOYKOHXJAIJ-LYKUJDHUSA-N 0 3 216.328 3.089 20 0 BGADHN CC/C=C\CN[C@H](c1ccccn1)C1CC1 ZINC000932386271 640514515 /nfs/dbraw/zinc/51/45/15/640514515.db2.gz OJUPOYKOHXJAIJ-MFBWXBCUSA-N 0 3 216.328 3.089 20 0 BGADHN CC/C=C\CN[C@@H](c1ccccn1)C1CC1 ZINC000932386272 640513839 /nfs/dbraw/zinc/51/38/39/640513839.db2.gz OJUPOYKOHXJAIJ-PKXJPQMGSA-N 0 3 216.328 3.089 20 0 BGADHN CC(=O)CCN(Cc1cccc(F)c1)C1CCC1 ZINC000932401855 640518987 /nfs/dbraw/zinc/51/89/87/640518987.db2.gz FDCWCAQSGXYAQV-UHFFFAOYSA-N 0 3 249.329 3.159 20 0 BGADHN COc1ccc([C@H](C)NC/C=C\Cl)cc1C ZINC000932575177 640578611 /nfs/dbraw/zinc/57/86/11/640578611.db2.gz WOKMTMZAHJTWGV-IBHLPDHGSA-N 0 3 239.746 3.407 20 0 BGADHN COc1ccc([C@H](C)NC/C=C/Cl)cc1C ZINC000932575178 640576003 /nfs/dbraw/zinc/57/60/03/640576003.db2.gz WOKMTMZAHJTWGV-ZPMKCOPCSA-N 0 3 239.746 3.407 20 0 BGADHN CSCC1CCN(CCC(F)(F)F)CC1 ZINC000932587857 640579578 /nfs/dbraw/zinc/57/95/78/640579578.db2.gz VEEDNWBHIPFKAX-UHFFFAOYSA-N 0 3 241.322 3.014 20 0 BGADHN Cc1ccc(CN2CCC(F)(C3CC3)CC2)cn1 ZINC000932624790 640588172 /nfs/dbraw/zinc/58/81/72/640588172.db2.gz POVKOADSTODIAD-UHFFFAOYSA-N 0 3 248.345 3.104 20 0 BGADHN Cc1cccc(CN2CCC(F)(C3CC3)CC2)n1 ZINC000932625147 640588413 /nfs/dbraw/zinc/58/84/13/640588413.db2.gz WFPNLRMVQPJEJP-UHFFFAOYSA-N 0 3 248.345 3.104 20 0 BGADHN FC(F)(F)CCN1CCC(F)(C2CC2)CC1 ZINC000932625974 640588648 /nfs/dbraw/zinc/58/86/48/640588648.db2.gz GAGMGKSLONYHRC-UHFFFAOYSA-N 0 3 239.256 3.153 20 0 BGADHN Cc1ccc(CN2CCC(F)(C3CC3)CC2)nc1 ZINC000932627675 640589267 /nfs/dbraw/zinc/58/92/67/640589267.db2.gz VRPMRSPVPVCMQQ-UHFFFAOYSA-N 0 3 248.345 3.104 20 0 BGADHN C[C@H](c1ccccn1)N1CCC(F)(C2CC2)CC1 ZINC000932627751 640587577 /nfs/dbraw/zinc/58/75/77/640587577.db2.gz YAOHOAJBMFDGQR-GFCCVEGCSA-N 0 3 248.345 3.357 20 0 BGADHN C[C@@H](c1ccccn1)N1CCC(F)(C2CC2)CC1 ZINC000932627752 640588103 /nfs/dbraw/zinc/58/81/03/640588103.db2.gz YAOHOAJBMFDGQR-LBPRGKRZSA-N 0 3 248.345 3.357 20 0 BGADHN Cc1ccnc(CN2CCC(F)(C3CC3)CC2)c1 ZINC000932627761 640589052 /nfs/dbraw/zinc/58/90/52/640589052.db2.gz YLHJYEJKERTZHN-UHFFFAOYSA-N 0 3 248.345 3.104 20 0 BGADHN Cc1ccncc1CN1CCC(F)(C2CC2)CC1 ZINC000932627941 640590200 /nfs/dbraw/zinc/59/02/00/640590200.db2.gz YRCVTDRHESSWJU-UHFFFAOYSA-N 0 3 248.345 3.104 20 0 BGADHN Cc1ncccc1CN1CCC(F)(C2CC2)CC1 ZINC000932628256 640591068 /nfs/dbraw/zinc/59/10/68/640591068.db2.gz GETQCBSOFUTDQS-UHFFFAOYSA-N 0 3 248.345 3.104 20 0 BGADHN Cc1cc(CN2CCC(F)(C3CC3)CC2)ccn1 ZINC000932628610 640589196 /nfs/dbraw/zinc/58/91/96/640589196.db2.gz JBNIEAQUMGTIDN-UHFFFAOYSA-N 0 3 248.345 3.104 20 0 BGADHN FC1(C2CC2)CCN(Cc2ccsc2)CC1 ZINC000932628919 640590859 /nfs/dbraw/zinc/59/08/59/640590859.db2.gz OMKUJWSXCHVUFO-UHFFFAOYSA-N 0 3 239.359 3.462 20 0 BGADHN Cc1cncc(CN2CCC(F)(C3CC3)CC2)c1 ZINC000932629165 640590341 /nfs/dbraw/zinc/59/03/41/640590341.db2.gz QBZZCPJSZYWKLM-UHFFFAOYSA-N 0 3 248.345 3.104 20 0 BGADHN Cc1cnccc1CN1CCC(F)(C2CC2)CC1 ZINC000932629601 640591679 /nfs/dbraw/zinc/59/16/79/640591679.db2.gz VDGZAEDVDYDXKC-UHFFFAOYSA-N 0 3 248.345 3.104 20 0 BGADHN C[C@H](c1cccnc1)N1CCC(F)(C2CC2)CC1 ZINC000932629682 640590993 /nfs/dbraw/zinc/59/09/93/640590993.db2.gz GDYBVVJLLTXJGQ-GFCCVEGCSA-N 0 3 248.345 3.357 20 0 BGADHN C[C@@H](c1cccnc1)N1CCC(F)(C2CC2)CC1 ZINC000932629683 640589878 /nfs/dbraw/zinc/58/98/78/640589878.db2.gz GDYBVVJLLTXJGQ-LBPRGKRZSA-N 0 3 248.345 3.357 20 0 BGADHN C[C@H](c1ccncc1)N1CCC(F)(C2CC2)CC1 ZINC000932630302 640591376 /nfs/dbraw/zinc/59/13/76/640591376.db2.gz GPMAMHYEJGCJLD-GFCCVEGCSA-N 0 3 248.345 3.357 20 0 BGADHN C[C@@H](c1ccncc1)N1CCC(F)(C2CC2)CC1 ZINC000932630303 640590511 /nfs/dbraw/zinc/59/05/11/640590511.db2.gz GPMAMHYEJGCJLD-LBPRGKRZSA-N 0 3 248.345 3.357 20 0 BGADHN c1nc(CN2C[C@H](C3CC3)C[C@@H]2C2CC2)cs1 ZINC000932898000 640643354 /nfs/dbraw/zinc/64/33/54/640643354.db2.gz LDVMXISZCRUTBY-TZMCWYRMSA-N 0 3 248.395 3.154 20 0 BGADHN CCO[C@H]1CCN(Cc2cc3ccccc3o2)C1 ZINC000932971556 640655395 /nfs/dbraw/zinc/65/53/95/640655395.db2.gz KGLQLGSSGSEXPE-ZDUSSCGKSA-N 0 3 245.322 3.044 20 0 BGADHN CN(Cc1cccc(=O)[nH]1)[C@H]1C=CCCCCC1 ZINC000933401748 631365142 /nfs/dbraw/zinc/36/51/42/631365142.db2.gz MOOHSXCAPMARFK-AWEZNQCLSA-N 0 3 246.354 3.108 20 0 BGADHN CN(Cc1cccc(=O)[nH]1)[C@@H]1C=CCCCCC1 ZINC000933401749 631364071 /nfs/dbraw/zinc/36/40/71/631364071.db2.gz MOOHSXCAPMARFK-CQSZACIVSA-N 0 3 246.354 3.108 20 0 BGADHN COc1ccc([C@@H](C)NC/C=C\Cl)cc1C ZINC000933486657 640722135 /nfs/dbraw/zinc/72/21/35/640722135.db2.gz WOKMTMZAHJTWGV-MEQVVJDKSA-N 0 3 239.746 3.407 20 0 BGADHN COc1ccc([C@@H](C)NC/C=C/Cl)cc1C ZINC000933486658 640720646 /nfs/dbraw/zinc/72/06/46/640720646.db2.gz WOKMTMZAHJTWGV-TZOMUSMUSA-N 0 3 239.746 3.407 20 0 BGADHN C[C@]12CN(Cc3nccs3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000933707750 640751691 /nfs/dbraw/zinc/75/16/91/640751691.db2.gz YGQSVIPYISQFBB-KZVDOYCCSA-N 0 3 248.395 3.011 20 0 BGADHN CCC(=O)CCN(C)Cc1c(C)cccc1C ZINC000933764537 631507748 /nfs/dbraw/zinc/50/77/48/631507748.db2.gz VQUFYXAHDYOTBA-UHFFFAOYSA-N 0 3 233.355 3.104 20 0 BGADHN COC(C)(C)CCN(Cc1ccoc1)C1CC1 ZINC000934002153 640804405 /nfs/dbraw/zinc/80/44/05/640804405.db2.gz QCBMFLXPTZHYEG-UHFFFAOYSA-N 0 3 237.343 3.059 20 0 BGADHN c1cc(CN(CC[C@@H]2CCCCO2)C2CC2)co1 ZINC000934003241 640803109 /nfs/dbraw/zinc/80/31/09/640803109.db2.gz DJRUGQLEMUBLAO-HNNXBMFYSA-N 0 3 249.354 3.203 20 0 BGADHN c1cc(CN(CC[C@H]2CCCCO2)C2CC2)co1 ZINC000934003242 640803599 /nfs/dbraw/zinc/80/35/99/640803599.db2.gz DJRUGQLEMUBLAO-OAHLLOKOSA-N 0 3 249.354 3.203 20 0 BGADHN O=C1CCC(CN(Cc2ccoc2)C2CC2)CC1 ZINC000934003923 640803920 /nfs/dbraw/zinc/80/39/20/640803920.db2.gz LMCDXSOACVPXQC-UHFFFAOYSA-N 0 3 247.338 3.003 20 0 BGADHN COC1(CCN(Cc2ccoc2)C2CC2)CCC1 ZINC000934004011 640803950 /nfs/dbraw/zinc/80/39/50/640803950.db2.gz MGNYAWFDSBVENZ-UHFFFAOYSA-N 0 3 249.354 3.203 20 0 BGADHN CCO[C@@H](CN(Cc1ccoc1)C1CC1)C1CC1 ZINC000934004146 640802964 /nfs/dbraw/zinc/80/29/64/640802964.db2.gz MTRJJVJQVZNXAZ-HNNXBMFYSA-N 0 3 249.354 3.059 20 0 BGADHN CCO[C@H](CN(Cc1ccoc1)C1CC1)C1CC1 ZINC000934004147 640804155 /nfs/dbraw/zinc/80/41/55/640804155.db2.gz MTRJJVJQVZNXAZ-OAHLLOKOSA-N 0 3 249.354 3.059 20 0 BGADHN CO[C@@H](CN(Cc1ccoc1)C1CC1)C1CCC1 ZINC000934004189 631581520 /nfs/dbraw/zinc/58/15/20/631581520.db2.gz OFQSVXXPJHSQLH-HNNXBMFYSA-N 0 3 249.354 3.059 20 0 BGADHN CO[C@H](CN(Cc1ccoc1)C1CC1)C1CCC1 ZINC000934004190 631581320 /nfs/dbraw/zinc/58/13/20/631581320.db2.gz OFQSVXXPJHSQLH-OAHLLOKOSA-N 0 3 249.354 3.059 20 0 BGADHN C=C/C=C\CCN(Cc1ccoc1)C1CC1 ZINC000934005238 640803032 /nfs/dbraw/zinc/80/30/32/640803032.db2.gz XSHOYKOHCXYWLP-ARJAWSKDSA-N 0 3 217.312 3.376 20 0 BGADHN C=C/C=C/CCN(Cc1ccoc1)C1CC1 ZINC000934005239 640804020 /nfs/dbraw/zinc/80/40/20/640804020.db2.gz XSHOYKOHCXYWLP-ONEGZZNKSA-N 0 3 217.312 3.376 20 0 BGADHN CC(C)OCCCN(Cc1ccoc1)C1CC1 ZINC000934005726 640805233 /nfs/dbraw/zinc/80/52/33/640805233.db2.gz ADSDCORSZZXBEF-UHFFFAOYSA-N 0 3 237.343 3.059 20 0 BGADHN c1cc(CN(C2CC2)[C@@H]2C=CCCC2)co1 ZINC000934006664 640805380 /nfs/dbraw/zinc/80/53/80/640805380.db2.gz OFISRSTVWDSNLQ-CYBMUJFWSA-N 0 3 217.312 3.353 20 0 BGADHN c1cc(CN(C2CC2)[C@H]2C=CCCC2)co1 ZINC000934006665 640806322 /nfs/dbraw/zinc/80/63/22/640806322.db2.gz OFISRSTVWDSNLQ-ZDUSSCGKSA-N 0 3 217.312 3.353 20 0 BGADHN CO[C@@H]1CC[C@@H]1N(C)Cc1cc2ccccc2o1 ZINC000934120268 641083002 /nfs/dbraw/zinc/08/30/02/641083002.db2.gz GJCBHFGIGHEYTI-DZGCQCFKSA-N 0 3 245.322 3.042 20 0 BGADHN CO[C@H]1CC[C@H]1N(C)Cc1cc2ccccc2o1 ZINC000934120271 641082862 /nfs/dbraw/zinc/08/28/62/641082862.db2.gz GJCBHFGIGHEYTI-HIFRSBDPSA-N 0 3 245.322 3.042 20 0 BGADHN CO[C@@H]1CC[C@H]1N(C)Cc1cc2ccccc2o1 ZINC000934120273 641084422 /nfs/dbraw/zinc/08/44/22/641084422.db2.gz GJCBHFGIGHEYTI-UKRRQHHQSA-N 0 3 245.322 3.042 20 0 BGADHN CO[C@H]1CC[C@@H]1N(C)Cc1cc2ccccc2o1 ZINC000934120276 641082247 /nfs/dbraw/zinc/08/22/47/641082247.db2.gz GJCBHFGIGHEYTI-ZFWWWQNUSA-N 0 3 245.322 3.042 20 0 BGADHN CCC[C@](C)(NCc1cn[nH]c1)c1ccccc1 ZINC000934180683 641095600 /nfs/dbraw/zinc/09/56/00/641095600.db2.gz TVUJXXFTUYLNNQ-HNNXBMFYSA-N 0 3 243.354 3.215 20 0 BGADHN CCC[C@@](C)(NCc1cn[nH]c1)c1ccccc1 ZINC000934180684 641095417 /nfs/dbraw/zinc/09/54/17/641095417.db2.gz TVUJXXFTUYLNNQ-OAHLLOKOSA-N 0 3 243.354 3.215 20 0 BGADHN CCC[C@](C)(NCc1cnc[nH]1)c1ccccc1 ZINC000934180957 631719414 /nfs/dbraw/zinc/71/94/14/631719414.db2.gz XZCDZWFRLFILSS-HNNXBMFYSA-N 0 3 243.354 3.215 20 0 BGADHN CCC[C@](C)(NCc1c[nH]cn1)c1ccccc1 ZINC000934180957 631719409 /nfs/dbraw/zinc/71/94/09/631719409.db2.gz XZCDZWFRLFILSS-HNNXBMFYSA-N 0 3 243.354 3.215 20 0 BGADHN CCC[C@@](C)(NCc1cnc[nH]1)c1ccccc1 ZINC000934180959 631719491 /nfs/dbraw/zinc/71/94/91/631719491.db2.gz XZCDZWFRLFILSS-OAHLLOKOSA-N 0 3 243.354 3.215 20 0 BGADHN CCC[C@@](C)(NCc1c[nH]cn1)c1ccccc1 ZINC000934180959 631719489 /nfs/dbraw/zinc/71/94/89/631719489.db2.gz XZCDZWFRLFILSS-OAHLLOKOSA-N 0 3 243.354 3.215 20 0 BGADHN CCCCC1(NCc2nc3ccccc3[nH]2)CC1 ZINC000934199850 641100012 /nfs/dbraw/zinc/10/00/12/641100012.db2.gz ANSJHBATVFFEGC-UHFFFAOYSA-N 0 3 243.354 3.375 20 0 BGADHN CCCCC1(NCc2cc(C3CC3)no2)CC1 ZINC000934199929 641099482 /nfs/dbraw/zinc/09/94/82/641099482.db2.gz COCPPCJDLVYZRO-UHFFFAOYSA-N 0 3 234.343 3.364 20 0 BGADHN CCCCC1(NCc2cnc(CC)o2)CC1 ZINC000934200463 641099452 /nfs/dbraw/zinc/09/94/52/641099452.db2.gz IYHINPGUUNKAAB-UHFFFAOYSA-N 0 3 222.332 3.049 20 0 BGADHN CCCCC1(NCc2cc3n(n2)CCCC3)CC1 ZINC000934200641 641099579 /nfs/dbraw/zinc/09/95/79/641099579.db2.gz LASFZHXUXWKIBM-UHFFFAOYSA-N 0 3 247.386 3.032 20 0 BGADHN CCCCC1(NCc2c(C)noc2CC)CC1 ZINC000934201046 631729460 /nfs/dbraw/zinc/72/94/60/631729460.db2.gz RSTRNHQDOJXWPR-UHFFFAOYSA-N 0 3 236.359 3.358 20 0 BGADHN CCCCC1(NCc2cnc(C3CC3)o2)CC1 ZINC000934201630 711574762 /nfs/dbraw/zinc/57/47/62/711574762.db2.gz XWBIHPUKROCUIR-UHFFFAOYSA-N 0 3 234.343 3.364 20 0 BGADHN CCCCC1(N[C@H](C)c2snnc2C)CC1 ZINC000934201728 641101278 /nfs/dbraw/zinc/10/12/78/641101278.db2.gz ZUWWLQPYQHAYNU-SECBINFHSA-N 0 3 239.388 3.220 20 0 BGADHN CCCCC1(N[C@@H](C)c2snnc2C)CC1 ZINC000934201729 641101693 /nfs/dbraw/zinc/10/16/93/641101693.db2.gz ZUWWLQPYQHAYNU-VIFPVBQESA-N 0 3 239.388 3.220 20 0 BGADHN CCCCC1(N[C@H](C)c2cnc(C)cn2)CC1 ZINC000934202005 631728893 /nfs/dbraw/zinc/72/88/93/631728893.db2.gz FHENQWILHNGIIU-GFCCVEGCSA-N 0 3 233.359 3.158 20 0 BGADHN CCCCC1(N[C@@H](C)c2cnc(C)cn2)CC1 ZINC000934202006 631729308 /nfs/dbraw/zinc/72/93/08/631729308.db2.gz FHENQWILHNGIIU-LBPRGKRZSA-N 0 3 233.359 3.158 20 0 BGADHN CCCCC1(NCc2nc(C)cs2)CC1 ZINC000934202603 641101262 /nfs/dbraw/zinc/10/12/62/641101262.db2.gz JEDANFPYOZJAEK-UHFFFAOYSA-N 0 3 224.373 3.264 20 0 BGADHN CCCCC1(NCc2ccc(F)cn2)CC1 ZINC000934203854 641100745 /nfs/dbraw/zinc/10/07/45/641100745.db2.gz VNZXYWKTWODQFE-UHFFFAOYSA-N 0 3 222.307 3.033 20 0 BGADHN CCCCC1(NCc2cccc(F)n2)CC1 ZINC000934203894 711575287 /nfs/dbraw/zinc/57/52/87/711575287.db2.gz WQPUWLTXFHQMDT-UHFFFAOYSA-N 0 3 222.307 3.033 20 0 BGADHN CCCCC1(NCc2ccncc2F)CC1 ZINC000934204067 641101440 /nfs/dbraw/zinc/10/14/40/641101440.db2.gz XMLGLJRXYUMYJC-UHFFFAOYSA-N 0 3 222.307 3.033 20 0 BGADHN CCCCC1(NCc2conc2CC)CC1 ZINC000934204094 641101649 /nfs/dbraw/zinc/10/16/49/641101649.db2.gz YMCMEHJECDNMIN-UHFFFAOYSA-N 0 3 222.332 3.049 20 0 BGADHN CCCCC1(NCc2c(C)noc2C)CC1 ZINC000934204111 641100850 /nfs/dbraw/zinc/10/08/50/641100850.db2.gz YZDIKBBKPGPTEL-UHFFFAOYSA-N 0 3 222.332 3.104 20 0 BGADHN CCCCC1(NCc2ncc(C)s2)CC1 ZINC000934204259 631733066 /nfs/dbraw/zinc/73/30/66/631733066.db2.gz AGVCZVFYWDILFN-UHFFFAOYSA-N 0 3 224.373 3.264 20 0 BGADHN CCCCC1(NCc2cc(OC)cc(C)n2)CC1 ZINC000934204819 641101346 /nfs/dbraw/zinc/10/13/46/641101346.db2.gz AQWQUFMNBAJNMO-UHFFFAOYSA-N 0 3 248.370 3.211 20 0 BGADHN CCCCC1(NCc2oc(C)nc2C)CC1 ZINC000934206044 641102808 /nfs/dbraw/zinc/10/28/08/641102808.db2.gz XPZJDLWIAGDCHW-UHFFFAOYSA-N 0 3 222.332 3.104 20 0 BGADHN CCCCC1(NCc2nccn2C(C)C)CC1 ZINC000934206425 631733080 /nfs/dbraw/zinc/73/30/80/631733080.db2.gz SSWYYEHMGQVCHH-UHFFFAOYSA-N 0 3 235.375 3.276 20 0 BGADHN CCCCC1(NCc2ccn(C(C)C)n2)CC1 ZINC000934207782 641103487 /nfs/dbraw/zinc/10/34/87/641103487.db2.gz WQGZZSOHLUASKL-UHFFFAOYSA-N 0 3 235.375 3.276 20 0 BGADHN CCCCC1(NCc2c(CC)noc2C)CC1 ZINC000934207820 641102553 /nfs/dbraw/zinc/10/25/53/641102553.db2.gz XVIBJZVGZHYELE-UHFFFAOYSA-N 0 3 236.359 3.358 20 0 BGADHN CCCCC1(NCc2cn3ccccc3n2)CC1 ZINC000934209799 641103870 /nfs/dbraw/zinc/10/38/70/641103870.db2.gz RXNXRGMWJULNLS-UHFFFAOYSA-N 0 3 243.354 3.147 20 0 BGADHN C[C@@H]1CSCCCN1Cc1ccccc1F ZINC000934301858 641119444 /nfs/dbraw/zinc/11/94/44/641119444.db2.gz GWKFWOZPOFZPEA-LLVKDONJSA-N 0 3 239.359 3.153 20 0 BGADHN C[C@H]1CSCCCN1Cc1ccccc1F ZINC000934301860 641119409 /nfs/dbraw/zinc/11/94/09/641119409.db2.gz GWKFWOZPOFZPEA-NSHDSACASA-N 0 3 239.359 3.153 20 0 BGADHN COc1ccc([C@@H]2CCCN2CC=C(C)C)nc1 ZINC000934344168 641129333 /nfs/dbraw/zinc/12/93/33/641129333.db2.gz VIYRGXKUVLJGTB-HNNXBMFYSA-N 0 3 246.354 3.193 20 0 BGADHN COc1ccc([C@H]2CCCN2CC=C(C)C)nc1 ZINC000934344169 641128737 /nfs/dbraw/zinc/12/87/37/641128737.db2.gz VIYRGXKUVLJGTB-OAHLLOKOSA-N 0 3 246.354 3.193 20 0 BGADHN CC(C)=CCN[C@H](C)c1cnn(CC2CCC2)c1 ZINC000934556746 641193510 /nfs/dbraw/zinc/19/35/10/641193510.db2.gz TYRZKNLQJUTLDH-CYBMUJFWSA-N 0 3 247.386 3.300 20 0 BGADHN CC(C)=CCN[C@@H](C)c1cnn(CC2CCC2)c1 ZINC000934556747 641194954 /nfs/dbraw/zinc/19/49/54/641194954.db2.gz TYRZKNLQJUTLDH-ZDUSSCGKSA-N 0 3 247.386 3.300 20 0 BGADHN CC/C=C\CN[C@H](C)c1cnn(CC2CCC2)c1 ZINC000934560454 631920583 /nfs/dbraw/zinc/92/05/83/631920583.db2.gz KDDMONNPWGTLHT-DSYXLKISSA-N 0 3 247.386 3.300 20 0 BGADHN CC/C=C/CN[C@@H](C)c1cnn(CC2CCC2)c1 ZINC000934560455 631921486 /nfs/dbraw/zinc/92/14/86/631921486.db2.gz KDDMONNPWGTLHT-IHVVCDCBSA-N 0 3 247.386 3.300 20 0 BGADHN CC/C=C/CN[C@H](C)c1cnn(CC2CCC2)c1 ZINC000934560456 631921921 /nfs/dbraw/zinc/92/19/21/631921921.db2.gz KDDMONNPWGTLHT-MUBLQREKSA-N 0 3 247.386 3.300 20 0 BGADHN CC/C=C\CN[C@@H](C)c1cnn(CC2CCC2)c1 ZINC000934560457 631920898 /nfs/dbraw/zinc/92/08/98/631920898.db2.gz KDDMONNPWGTLHT-ZFDPJTLLSA-N 0 3 247.386 3.300 20 0 BGADHN C[C@@H]1CC=CC[C@H]1NCc1coc(C(C)(C)C)n1 ZINC000934617952 641214951 /nfs/dbraw/zinc/21/49/51/641214951.db2.gz QNSXOAOKWZDQCI-DGCLKSJQSA-N 0 3 248.370 3.416 20 0 BGADHN C[C@@H]1CC=CC[C@H]1NCc1ncccc1Cl ZINC000934618706 641215840 /nfs/dbraw/zinc/21/58/40/641215840.db2.gz DBEDEOSZGNMBCJ-ZYHUDNBSSA-N 0 3 236.746 3.179 20 0 BGADHN C[C@@H]1CC=CC[C@H]1NCc1ncc(Cl)s1 ZINC000934621199 641218299 /nfs/dbraw/zinc/21/82/99/641218299.db2.gz URQXVOMDAYNUQO-RKDXNWHRSA-N 0 3 242.775 3.241 20 0 BGADHN C[C@@H]1CC=CC[C@H]1NCc1csc(C2CC2)n1 ZINC000934621275 641217112 /nfs/dbraw/zinc/21/71/12/641217112.db2.gz YCNPELDJNLUBTL-ZWNOBZJWSA-N 0 3 248.395 3.465 20 0 BGADHN C[C@@H]1CC=CC[C@H]1NCc1cc(C(C)(C)C)on1 ZINC000934621909 641218024 /nfs/dbraw/zinc/21/80/24/641218024.db2.gz MXYZHNBSLGDIEA-DGCLKSJQSA-N 0 3 248.370 3.416 20 0 BGADHN C[C@@H]1CC=CC[C@H]1NC/C(Cl)=C\Cl ZINC000934622259 641220983 /nfs/dbraw/zinc/22/09/83/641220983.db2.gz ONDDTQOAJHMUHG-GCWOIFJASA-N 0 3 220.143 3.250 20 0 BGADHN C[C@@H]1CC=CC[C@H]1NC/C(Cl)=C/Cl ZINC000934622260 641219894 /nfs/dbraw/zinc/21/98/94/641219894.db2.gz ONDDTQOAJHMUHG-VGEVTBTPSA-N 0 3 220.143 3.250 20 0 BGADHN C[C@@H]1CC=CC[C@H]1NCc1csc(Cl)n1 ZINC000934623041 641219459 /nfs/dbraw/zinc/21/94/59/641219459.db2.gz XUWQDQXJDLSCKJ-PSASIEDQSA-N 0 3 242.775 3.241 20 0 BGADHN C[C@@H]1CC=CC[C@H]1NCc1nc2ccccc2o1 ZINC000934628286 641223763 /nfs/dbraw/zinc/22/37/63/641223763.db2.gz OXGJYIBVSBDCAS-VXGBXAGGSA-N 0 3 242.322 3.272 20 0 BGADHN CCc1nc(CN[C@@H]2CC=CC[C@H]2C)cs1 ZINC000934628491 641221815 /nfs/dbraw/zinc/22/18/15/641221815.db2.gz UIGQNKOXPDTRBG-ZYHUDNBSSA-N 0 3 236.384 3.150 20 0 BGADHN CSCC(C)(C)NCC=C(Cl)Cl ZINC000934664290 641237947 /nfs/dbraw/zinc/23/79/47/641237947.db2.gz QNVSUVLEKFOYDE-UHFFFAOYSA-N 0 3 228.188 3.037 20 0 BGADHN CSCC(C)(C)NCc1ccc(F)cc1F ZINC000934667640 641239071 /nfs/dbraw/zinc/23/90/71/641239071.db2.gz PDMPYDDJZCCOST-UHFFFAOYSA-N 0 3 245.338 3.196 20 0 BGADHN CSCC(C)(C)NCc1cccc(F)c1F ZINC000934675877 641244093 /nfs/dbraw/zinc/24/40/93/641244093.db2.gz GDOAFWMRNSJHKI-UHFFFAOYSA-N 0 3 245.338 3.196 20 0 BGADHN CSCC(C)(C)NCc1cc(F)ccc1F ZINC000934677342 641244286 /nfs/dbraw/zinc/24/42/86/641244286.db2.gz ZTCBEINNRKELGP-UHFFFAOYSA-N 0 3 245.338 3.196 20 0 BGADHN c1csc(CN[C@H](c2ccncc2)C2CC2)c1 ZINC000934697977 641248736 /nfs/dbraw/zinc/24/87/36/641248736.db2.gz ZTSWOQDJPWDAHQ-AWEZNQCLSA-N 0 3 244.363 3.384 20 0 BGADHN c1csc(CN[C@@H](c2ccncc2)C2CC2)c1 ZINC000934697978 641249156 /nfs/dbraw/zinc/24/91/56/641249156.db2.gz ZTSWOQDJPWDAHQ-CQSZACIVSA-N 0 3 244.363 3.384 20 0 BGADHN c1cc(CN[C@H](c2ccncc2)C2CC2)cs1 ZINC000934698196 632016760 /nfs/dbraw/zinc/01/67/60/632016760.db2.gz KFYFWJFWAIASJM-AWEZNQCLSA-N 0 3 244.363 3.384 20 0 BGADHN c1cc(CN[C@@H](c2ccncc2)C2CC2)cs1 ZINC000934698197 632018033 /nfs/dbraw/zinc/01/80/33/632018033.db2.gz KFYFWJFWAIASJM-CQSZACIVSA-N 0 3 244.363 3.384 20 0 BGADHN c1csc(CNC2(C3CCCCC3)CC2)n1 ZINC000934788477 641270810 /nfs/dbraw/zinc/27/08/10/641270810.db2.gz RSJZOKOOEVTYQN-UHFFFAOYSA-N 0 3 236.384 3.346 20 0 BGADHN CCn1ccnc1CNC1(C2CCCCC2)CC1 ZINC000934788541 641271317 /nfs/dbraw/zinc/27/13/17/641271317.db2.gz UGBJOACVQLIFRE-UHFFFAOYSA-N 0 3 247.386 3.106 20 0 BGADHN Cc1ncoc1CNC1(C2CCCCC2)CC1 ZINC000934789194 641268960 /nfs/dbraw/zinc/26/89/60/641268960.db2.gz GBHPLXHRHRMCTJ-UHFFFAOYSA-N 0 3 234.343 3.186 20 0 BGADHN CCc1ncc(CNC2(C3CCCCC3)CC2)o1 ZINC000934789297 632073468 /nfs/dbraw/zinc/07/34/68/632073468.db2.gz WISWCLXPFRUCFE-UHFFFAOYSA-N 0 3 248.370 3.440 20 0 BGADHN Cc1ncc(CNC2(C3CCCCC3)CC2)o1 ZINC000934789624 641271826 /nfs/dbraw/zinc/27/18/26/641271826.db2.gz JWAQKIMOHANYJP-UHFFFAOYSA-N 0 3 234.343 3.186 20 0 BGADHN Cc1cc(CNC2(C3CCCCC3)CC2)on1 ZINC000934789870 641271895 /nfs/dbraw/zinc/27/18/95/641271895.db2.gz NYFYZSHRBQUJCI-UHFFFAOYSA-N 0 3 234.343 3.186 20 0 BGADHN Cc1nc(C)c(CNC2(C3CCCCC3)CC2)o1 ZINC000934790258 641271163 /nfs/dbraw/zinc/27/11/63/641271163.db2.gz WHYFUGUVJSEWSJ-UHFFFAOYSA-N 0 3 248.370 3.494 20 0 BGADHN